smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)C1CCC(C#N)(Nc2ccccc2F)CC1 37938919 LFLCNXUQBODVGB-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE COc1ccc([C@H](C#N)C2CCCCC2)cc1Cl 41357825 DZJOQSZXMNWEOL-CYBMUJFWSA-N 263.768 4.536 30 10 CJEE C[C@H](C[C@H](C#N)Nc1ccc(Cl)cc1)c1ccccc1 43535210 OKUMCLQBRTUOAP-CXAGYDPISA-N 284.790 4.838 30 10 CJEE CCCCCCCCNCc1c(O)ccc2ccccc12 48307237 NIWJAVGNBNVDNI-UHFFFAOYSA-N 285.431 4.996 30 10 CJEE Cc1cc(C)c([C@H](C#N)CCOc2cccc(F)c2)c(C)c1 57695813 BQMQFXIHKXXNJU-INIZCTEOSA-N 297.373 4.827 30 10 CJEE Cc1ccc(C)c(C[C@H](C#N)c2cc(C)ccc2C)c1 57760067 BTKGHGYZLCAKSJ-GOSISDBHSA-N 263.384 4.770 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCc3sccc32)cc1Cl 61325633 SYDDINLQLNYCEF-CQSZACIVSA-N 288.803 4.763 30 10 CJEE C=C(C)COc1ccc2ccccc2c1CN[C@H](C)CC 66116220 TZKWGOGVHKDLSB-OAHLLOKOSA-N 283.415 4.683 30 10 CJEE C=CCCC[C@@H](Cc1c(F)cccc1Cl)NCCC 71277272 NGOFIZOVOQREJU-ZDUSSCGKSA-N 283.818 4.746 30 10 CJEE Cc1cc(C(=O)[C@@H](C#N)c2cccc(Cl)c2)sc1C 87567339 QQNCCLYLJTYEOW-ZDUSSCGKSA-N 289.787 4.508 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2)C1 87972789 MFUCFPFNFHIUDT-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE CCC[C@@H](C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884874 HZIGZRGZTLVGGT-GJEMEMOUSA-N 265.441 4.530 30 10 CJEE C=C(C)C[C@H](NCCC)C1CCC(CCC)CC1 92129827 MGFQPXHKVDEPKL-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(F)cc1Cl 97208674 MXFTWXMQAYTZDU-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C[C@H]1C[C@@H](C)CN(CCCCCCCCCS)C1 97799168 WGGLUQCBBPIKRH-IYBDPMFKSA-N 271.514 4.625 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccccc1OCC(C)C 107574470 JHWHSKMGAYFTLV-CVEARBPZSA-N 258.405 4.874 30 10 CJEE C[C@H]1CCc2ccccc2N1c1ccc(Cl)cc1C#N 110251144 YLQFAVJZZFBWKN-LBPRGKRZSA-N 282.774 4.684 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)ccc2F)c(Cl)c1 110254419 IIYAXRCUVYXVFC-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCn1ccc2cc(CN)ccc21 112930740 AODZEUKIMBXSHT-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CCCCCCCCc1n[nH]c(N)c1-c1cccs1 115063743 MCQKSYVPDGIRCD-UHFFFAOYSA-N 277.437 4.623 30 10 CJEE CCCCCCCCN1C[C@H](CC(C)C)NC[C@@]1(C)CC 115235962 MURPFURJFILTPA-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC(=O)C1(COC)CCCC1 115328044 JYSUFPRJOLTHNZ-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(c1)C[C@H](C)O2 115856109 UBJGMKKRAJJGNY-WMLDXEAASA-N 275.436 4.760 30 10 CJEE CCCCCCCCCc1nc2cc(OC)ccc2[nH]1 115858755 SATHBQUMJCZQTH-UHFFFAOYSA-N 274.408 4.865 30 10 CJEE CCCCCCCCCCCC(=O)N(CCCO)C(C)C 115858797 PFVDUUBUWYWORK-UHFFFAOYSA-N 299.499 4.527 30 10 CJEE CCCCCCCC(=O)[C@@](C)(CC)N1CCCCC1 118162120 CHVPKFUUFQOWBO-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCCC[C@@H]1C(F)(F)F 122324830 JFCBSUDIDQTLOD-RDBSUJKOSA-N 294.405 4.548 30 10 CJEE CCCCCCCCCCC1(O)C[C@H](C)O[C@@H](C)C1 123516879 MEDUTAQXVFXELS-HOTGVXAUSA-N 270.457 4.836 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1 125305102 DBDRPHBEPLTBRS-MRXNPFEDSA-N 282.859 4.985 30 10 CJEE CCCCCCCCCCNCCCn1nc(C)cc1C 130749140 YNVVPLJUWALENV-UHFFFAOYSA-N 293.499 4.620 30 10 CJEE CCCCCCCCCCNc1cc(N)c(C)cn1 133281573 REVAADHWTQQHNI-UHFFFAOYSA-N 263.429 4.525 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C(F)(F)F)ccc1N 158448183 DWZNZGRGKSXIBE-CQSZACIVSA-N 289.341 4.682 30 10 CJEE CCCCCCCCCCCC[C@H](CCN(C)C)NC 158698416 FXMFZJWTJRKXSH-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ncc(C)cn1 164875330 RFNJJZIUCWIAEH-KRWDZBQOSA-N 291.483 4.966 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCC[C@H](C)O1 205196786 ZETUMAVIHHSWFQ-ULQDDVLXSA-N 270.457 4.836 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1cccc(F)c1 222554820 JEKIQPAICFFADI-XYPHTWIQSA-N 274.383 4.592 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222801487 QACOLCUZFZETFJ-DFBDCSAJSA-N 290.495 4.851 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@@H](CCC)CC1 226970912 HZRAIKFGZGGXOK-RTBURBONSA-N 296.543 4.967 30 10 CJEE N#Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1 227635134 YCWVXVNQWLHSRK-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCCCCCC[C@@H](O)C1CCOCC1 229502940 VTRPVDNDFBPXGE-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE C[C@@H]1CC[C@@H](CC2(C#N)CCC(C(C)(C)C)CC2)O1 232059448 YZCVBLVTEYWRLT-GJEMEMOUSA-N 263.425 4.690 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCCCCC1 232965080 QESWMQOTMJHMPM-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSC1CCCCC1 233152139 BOOAWZWITZWEIM-INIZCTEOSA-N 282.497 4.504 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)C 250723978 GVAJUHANGBGDRX-PMPSAXMXSA-N 251.458 4.639 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1CCC 250837543 VVJANEYSBKZGEX-CEXWTWQISA-N 296.543 4.836 30 10 CJEE C[C@@H]1CCCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252101677 GJDSZJARUHOUBI-LTIDMASMSA-N 276.468 4.605 30 10 CJEE CSc1cccc(N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 252818858 MHXIWFYBEXYIEW-XUXIUFHCSA-N 286.444 4.517 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253048309 ROLZSFKGXLWIKN-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C[C@H]1CN(Cc2ccccc2)[C@@H](C)CC1=Nc1ccccc1 256882201 UNELJYXELGIDJV-IRXDYDNUSA-N 292.426 4.690 30 10 CJEE C=CCCC[C@H](NCCC)C(C1CCC1)C1CCC1 311368558 QQPLRJRYAXAZSJ-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE C[C@@H]1CCC[C@@H](COC[C@@H](CS)c2ccccc2)C1 311435512 RUIBDQIASIJFFN-INMHGKMJSA-N 278.461 4.543 30 10 CJEE Fc1ccc(Cl)c(OC[C@H](CS)c2ccccc2)c1 311582291 UUWWPCTXJVIKJK-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(C)cc(C)c1 312241346 QABJAOXWKSFDGJ-GOSISDBHSA-N 271.448 4.784 30 10 CJEE C[C@H](C1CCCCC1)[C@@H](O)C1(C#N)CCC(C)(C)CC1 313264489 ZIXBIBASRAPWIV-GDBMZVCRSA-N 277.452 4.674 30 10 CJEE C[C@H]1CC([C@]2(C=O)CCCc3ccccc32)C[C@H](C)C1 316477400 RQYAVVAQBXRPGO-SPYBWZPUSA-N 270.416 4.532 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(F)cc2F)CC1 316827225 LCIDCQIEZSKSLZ-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1csc(Cl)c1 378976273 ABOCGXKTNOFIPK-CYBMUJFWSA-N 283.868 4.882 30 10 CJEE CCCC1CCC(C#N)(C[C@@H](OC)C(C)C)CC1 380939468 LKKCVHSSHNMKPB-HWOWSKLDSA-N 251.414 4.548 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccnc3cc(Cl)ccc23)C1 383718656 JRECMNNOOOURMV-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1CCCC(F)(F)C1 394001685 ZCRDWUOZDVRLQH-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(COC)o1 394623037 YTKWVSOJNAQATH-HNNXBMFYSA-N 268.397 4.600 30 10 CJEE C=CC[C@H](CNCCC)Cc1cccc2ccccc12 395328034 PPQOCGLNIJXFRT-INIZCTEOSA-N 267.416 4.574 30 10 CJEE CCCCCCC[C@@H](CCN1CCCCC1)NCCC 395816633 MIYJUCKVXGWWTJ-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCC[C@@H]1CCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 396919944 QGQAZCDNCOWWFJ-MWDXBVQZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)[C@@H]1CCNC1 400343486 IFKPEQJEIPKKJG-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512630035 LFXBHSIOZMMJHH-GOEBONIOSA-N 296.389 4.542 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 521663190 LLMYZLGIXCAITL-UONOGXRCSA-N 299.389 4.758 30 10 CJEE COc1cc(C(F)F)cc(C(F)(F)F)c1C(F)(F)F 575380387 KWATYAKHAULPMA-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE CCCCO[C@@]1(CC)C=CC(N=Cc2ccccc2)=CC1 604940854 NYFUNUPYZCTHGZ-IBGZPJMESA-N 283.415 4.915 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(OC)c1C 691204202 CAIASEXSJICYNF-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CC2CCC1CC2 691646380 WMZNXRCWIAUQIM-SJJHQCBESA-N 251.458 4.891 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)c(F)c1 692205622 RNJPUBXEXXKTJW-BBRMVZONSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1 692206789 XBLYWIYMPFIXKL-CZUORRHYSA-N 281.802 4.704 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(O)cc3Cl)C[C@@H](C1)C2 697296711 MULDJYZNAYLSHT-FUNVUKJBSA-N 277.795 4.592 30 10 CJEE CCCC1CCC(C=O)(CCOC2CCCC2)CC1 701398462 BFYZKEXWLHXYNX-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC[C@@H](CC)C1 703210684 CQUURFFSOGWLNE-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCCC(C)(C)CNCc1[nH]c2ccccc2c1Cl 703960045 WNXFRBOZLIEIOW-UHFFFAOYSA-N 290.838 4.903 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2c(F)cccc21 704426761 CQBAPXWVMDTHDZ-QGZVFWFLSA-N 263.400 4.677 30 10 CJEE CCCCCCCCCCCC[C@]1(N)C[C@@H](C)N(C)C1 705093981 CZZHKCZOLHZNIU-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE Cc1cc(Cl)cc(N)c1Oc1ccc(C#N)cc1Cl 706442173 PKAXNWUWNHCPLB-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCCC[C@@]21C 707195830 FYZXEHVAUZDBSL-CVEARBPZSA-N 283.525 4.767 30 10 CJEE C=CC[C@H](C)[C@@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715008700 FUOHYURXVASVFD-DIYAKSSWSA-N 262.437 4.556 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H](C)CO1 718394705 KOWWEEVCIYKUDZ-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2cccc(Cl)c2)s1 719459423 TUDULCRZWDIGRO-CYBMUJFWSA-N 276.792 4.695 30 10 CJEE C=C1CCC(CN[C@@H]2CCc3sc(Cl)cc32)CC1 724440432 BMFZSSZJNFVTOZ-CYBMUJFWSA-N 281.852 4.725 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1 724602415 KPEQRSHODPGRCG-VSZNYVQBSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@]2(CNC3CC3)CC[C@H](C)C2)CC1 724611468 WXTKQRHKDCQXKJ-YJBOKZPZSA-N 261.453 4.681 30 10 CJEE COc1ccc2oc(C(=O)/C=C/c3ccccc3)c(C)c2c1 729149069 CJJDQTBNQQLVHJ-CSKARUKUSA-N 292.334 4.646 30 10 CJEE C=CCCC1(CNC(=O)C2(C)CCCCCC2)CCCC1 1131111779 YVLLDBYHJATNKW-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCCC[C@@H](NC1CC(C(F)F)C1)c1ccccc1 1183550186 HSGBLKTXTJAPIQ-UYSNPLJNSA-N 279.374 4.717 30 10 CJEE C=CCC1(CN[C@@H]2CCC[C@H](C3CC3)C2)CCCC1 1205788590 CZDWAFOQFDVKEJ-DLBZAZTESA-N 261.453 4.681 30 10 CJEE C=CCC1(NC(=O)[C@@H](CCC)CC(C)C)CCCCC1 1272726619 YUGLPDFWWZFNCV-INIZCTEOSA-N 279.468 4.844 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 1292065029 DIGZFLLLVLVPEH-HNNXBMFYSA-N 299.414 4.945 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1ccc(C(C)(C)C)cc1 1355352792 DFSFDFMEHPHOCM-UHFFFAOYSA-N 273.420 4.549 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@H](CC)CCCC)c1 1359978774 JREBVDLRJAYXAU-QGZVFWFLSA-N 285.431 4.627 30 10 CJEE C=CC(C)(C)CCCNC(=O)C1(c2cccc(C)c2)CCC1 1439077665 BXSLCHYRPAIBSJ-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(COC(C)(C)C)c1 1439770988 LVUMKKIJBXIIDO-UHFFFAOYSA-N 289.419 4.543 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@H](c2ccc(C)cc2)C1(C)C 1455289373 OSWDORNVVGRANI-GOSISDBHSA-N 299.458 4.692 30 10 CJEE C=CC[C@H]1CCCN(CCSc2ccc(C)c(C)c2)C1 1460364048 QZPWGQDOFOCAFE-KRWDZBQOSA-N 289.488 4.684 30 10 CJEE C#Cc1ccc(CNc2ccc(C(C)(C)C)c(F)c2)cc1 1461721415 HFRCNXSDHOJCLW-UHFFFAOYSA-N 281.374 4.717 30 10 CJEE C#Cc1ccc(NCc2ccc(C(F)(F)F)cc2C)cc1 1474293310 QOBSTVHDWAYTLB-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C#CCN(Cc1ccccc1)Cc1c(Cl)cccc1CC 1474512382 ICWXVMXYMSNOJL-UHFFFAOYSA-N 297.829 4.538 30 10 CJEE C=CCCC(C)(C)NC(=O)NCC1(CC(C)C)CCCC1 1478161572 OERGIWYZAHHUIU-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CC[C@H]1N(C(=O)/C(C)=C\C(C)(C)C)CCCC1(C)C 1519869793 BRUOXCARFJGOIM-SEWDUPMJSA-N 277.452 4.572 30 10 CJEE C=CCC[C@H](C(=O)N(CCC)CC(C)C)c1ccccc1 1525510027 KVWATQSKUCIBNI-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C#CCCCCC(=O)N(CC)c1cccc(Cl)c1Cl 1529449238 CLXPPFLSJFOPTG-UHFFFAOYSA-N 298.213 4.540 30 10 CJEE C=CCC[C@@H](C(=O)NCC1(CC)CCCC1)c1ccccc1 1535357567 LLBVNXXGTAGVAC-GOSISDBHSA-N 299.458 4.823 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 1558600463 ZWYOVXDLXODUID-GOSISDBHSA-N 299.458 4.631 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCOc2ccc3ccccc3c2)C1 1560281756 ZDSGVQOWCPZQTK-VQIMIIECSA-N 295.426 4.553 30 10 CJEE C=CCC1(CNCc2cc3cccc(OC)c3o2)CCCC1 1560471103 FYGRYTBJDHGBRM-UHFFFAOYSA-N 299.414 4.668 30 10 CJEE C#CCOc1ccccc1CNc1cccc([C@@H](C)CC)c1 1560538629 XLKLDPQETHGHMN-INIZCTEOSA-N 293.410 4.824 30 10 CJEE C=CCCCN(CC)C(=O)c1cccc(C2CCCC2)c1 1585923559 OENGZKJQDSBCKI-UHFFFAOYSA-N 285.431 4.773 30 10 CJEE C=CCC[C@@H](C(=O)NCC[C@@H]1CC=CCC1)c1ccccc1 1588191670 GUFLTGIYZYXEKB-IEBWSBKVSA-N 297.442 4.599 30 10 CJEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccccc1 1615006973 XXBCVDQQCCBDMX-JLMFCZBYSA-N 295.431 4.954 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@H]1CCC2(CCCCCC2)O1 1620642484 WZYIGNNPZXCXPB-QZTJIDSGSA-N 291.479 4.689 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2oc3ccccc3c2C)C1 1620796056 YCDRAFPLRYMCJE-LSDHHAIUSA-N 269.388 4.576 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@H]1CCCCC1(C)C 1627249694 RSNHWEWNKKJNFP-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=CCCCCCCCCNC(=O)C1=CCCCC1 1641930914 DQANVIFXBPORQO-UHFFFAOYSA-N 263.425 4.520 30 10 CJEE C=CCCCCCCCNCc1ccc(C)c(C)c1 1651168255 PEVONRGHDDYBBE-UHFFFAOYSA-N 259.437 4.920 30 10 CJEE C=CCCC(C)(C)NCc1cccc(-c2ccccn2)c1 1651363217 BAILAPMOIPZCGZ-UHFFFAOYSA-N 280.415 4.583 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccc(C)cc1Cl 1652403425 MRZDAYLXMALRAF-UHFFFAOYSA-N 299.845 4.879 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CCCCC1(F)F 1657138442 WQGAXYNJJOWBBQ-QGZVFWFLSA-N 293.401 4.543 30 10 CJEE C=CC(C)(C)CNC/C(C)=C\c1ccc(Cl)cc1 1657974270 WBYYNEGLOPOTJE-RAXLEYEMSA-N 263.812 4.545 30 10 CJEE C=C(C)CN(c1ccccc1)[C@H](C)c1ccccc1 1658172063 DBNGDBKROFPTOB-MRXNPFEDSA-N 251.373 4.830 30 10 CJEE C=CC[C@H]1CCN(C[C@H](C)CSc2ccccc2C)C1 1659575364 YMDPTCHQRFZQDT-RDJZCZTQSA-N 289.488 4.621 30 10 CJEE C=CCCCCNCc1ccc(C2CC2)c(C2CC2)c1 1662285139 ZTNJOUHMHHHNKG-UHFFFAOYSA-N 269.432 4.887 30 10 CJEE C=CCC1(NC(=O)Nc2ccc3occc3c2)CCCCC1 1674226884 OQXSFROEFSEERV-UHFFFAOYSA-N 298.386 4.833 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1(C(C)(C)C)CCC1 1876787893 ROWGYWYGYGWFRK-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H]1CCC(C)(C)C1 1880995204 IIYLEVGFUAHTKS-KRWDZBQOSA-N 257.421 4.643 30 10 CJEE CCCC1(C[C@@]2(C#N)CCOC23CCCCC3)CC1 1882279449 NEODPOCZUJKRNL-MRXNPFEDSA-N 261.409 4.590 30 10 CJEE C#C[C@H](c1ccccc1)N(C)[C@H](CC)CCC(C)C 1883328782 RCDHFHNDWOEZIL-QZTJIDSGSA-N 257.421 4.508 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1COC(C)C 1883425527 FXXAWPGQFNFTJP-QGZVFWFLSA-N 269.473 4.626 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](OC)[C@@H]1C 1883841037 WICRUYBPMQVUMT-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=C1CCC(CN(C)[C@H]2C[C@@H]3CCCC[C@@H]3C2)CC1 1884408074 UGRCUQBXZYMRKC-BCDXTJNWSA-N 261.453 4.633 30 10 CJEE C=CC[C@@H](C)c1c(Cl)ccc(Br)c1F 1885155839 PVZMGCIPVWBTKJ-SSDOTTSWSA-N 277.564 4.921 30 10 CJEE C#CC[C@H](CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C1CC1 1887081046 GWFVCFNHCILCNN-XOYOTBSWSA-N 262.437 4.513 30 10 CJEE C=C(c1ccccc1)[C@@]1(O)C[C@H](C)Sc2sccc21 1888712546 ULHVYVCKTSEYTG-ZBEGNZNMSA-N 288.437 4.533 30 10 CJEE 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C=C[C@@H](C)CCN(C)c1cc(Cl)ccc1[C@H](C)NCC 2288883795 UOZBUOJQBSXVQG-KGLIPLIRSA-N 294.870 4.659 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C[C@@H]1CCCCC12CC2 2289684961 QQRSPXMPJKDNDV-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC[C@](N)(C#CC1CCCCC1)C1CCC(F)(F)CC1 2289695081 AVMHTDYIJVFXRA-INIZCTEOSA-N 283.406 4.503 30 10 CJEE CC(C)(C)c1ccc([C@@H](N)C#CC2CCCCC2)cc1 2289710303 HLIVOELVGAYXBX-SFHVURJKSA-N 269.432 4.568 30 10 CJEE Cc1ccccc1N[C@@H](C#N)C1CC(CC(C)(C)C)C1 2289967145 KZYJMRYGFVDYRE-DQPZFDDXSA-N 270.420 4.762 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc2c(c1)CC(C)(C)C2 2290302271 LPJFOAMABNFIPH-KBXCAEBGSA-N 271.448 4.674 30 10 CJEE C#CC(C)(C)C[C@@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2290313530 IIBQBJQWDZMKMQ-CVEARBPZSA-N 277.496 4.867 30 10 CJEE C=CCCCCCCCC[C@](C)(CC=C)OCC(=O)O 2291258949 BTWIEALSLCDZLE-KRWDZBQOSA-N 282.424 4.729 30 10 CJEE C=CCCCCCC[C@@]1(OCC(=O)O)CCCC1(C)C 2291309026 QYQCFNZYYFAFQU-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCC1(OCCCN)CCC(C(C)(C)C)CC1 2292882935 SGOUVJNCZVJRIY-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(C)C[C@H](OCCCN)C1CCC(C(C)(C)C)CC1 2293049609 KHHZEGDHLYQXGB-JCYILVPMSA-N 281.484 4.539 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCC[C@H](CCC)CC1 2293052496 WEVYHMPEOOZHPB-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(CC)C[C@](C)(OCCN)C1CCC(C(C)C)CC1 2293062734 DVMFUZKNZGXGRW-ABHNRTSZSA-N 281.484 4.539 30 10 CJEE C=CCC[C@@H](C)[C@](CC)(OCCCN)C1CCCCC1 2293132473 JVRUQLNDZXPUSX-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCCN)c1cscn1 2293374028 SCKVLVDTEFXXCT-INIZCTEOSA-N 298.496 4.690 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC2CC1C2 2293413020 HWUDESBQIDEXRH-ABHNRTSZSA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)C=CCC[C@@H]1C 2293599400 ITJKWVSINPNNQQ-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE CCCCCCCCC[C@](C)(O)CC12COC(C)(C1)C2 2295591857 JUCNUSDNKDHQEW-AOCRQIFASA-N 282.468 4.837 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](NCC)CCN1CC 2295678363 HQQRFRDBFGPZDQ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC1CCOCC1 2295691384 LDGPULKOAMSVJR-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CCCCN(CC)CCCCCCCCCCCN 2296276805 MCIKZBDXFJGFET-UHFFFAOYSA-N 282.516 4.744 30 10 CJEE C=CCC(CC=C)OC(=O)c1c(Cl)cccc1Cl 2313539952 SGAUHQFTKWDVCZ-UHFFFAOYSA-N 285.170 4.671 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCC(F)(F)F)C1 2313555032 OJALQRPSXUCIEC-AXFHLTTASA-N 279.371 4.636 30 10 CJEE C=CCC(CC=C)[C@]1(O)C[C@H](C)Sc2sccc21 2316715354 NWRVJZNVGZPSOK-XHDPSFHLSA-N 280.458 4.588 30 10 CJEE C=CCCCCCCCSCC(=O)[C@@H]1CC1(C)C 2318452168 OLCPNNBNOUVUSY-AWEZNQCLSA-N 268.466 4.861 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C)c(F)c1Cl 2321222998 DSWAOFBCMRTWNM-CABCVRRESA-N 270.775 4.813 30 10 CJEE CCCCCCCC[C@H]1C[C@H]2CC[C@H]1C[C@]2(C)N 2327773598 LXUAKSIYWGSCAC-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE C#CCCCC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2327979199 SSKKJPDBMXTZDZ-OAHLLOKOSA-N 285.214 4.703 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1ccc2sccc2c1 2337166078 OOJAGCOEDAGFGF-GOEBONIOSA-N 271.429 4.736 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNC1CC1 2337275951 AZNBFYAWXKDDGP-SNVBAGLBSA-N 299.842 4.788 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)CC[C@@H](C)C(F)F 2338616184 PDFOWRFYVFTNQU-BFUOFWGJSA-N 295.439 4.851 30 10 CJEE CCC[C@@H](O[C@H](C)CC(C)(C)C#N)c1ccccc1 2340548454 OZYLLFBAYOSLKX-GDBMZVCRSA-N 259.393 4.873 30 10 CJEE C[C@@H]1CC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2342347829 GZFVKPPYEQWZEU-GHMZBOCLSA-N 286.284 4.750 30 10 CJEE C#Cc1c(F)cc(N[C@@H](C)c2ccc(Cl)s2)cc1F 2344191132 MBGYKAMRYMKJJJ-QMMMGPOBSA-N 297.757 4.834 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc2ccccc2c1F 2344475490 HLEBVKDOWAAKID-INIZCTEOSA-N 258.336 4.615 30 10 CJEE CC1(C)CC(CS)(CO[C@@H]2CCCC(F)(F)CC2)C1 2344991966 KUVFLXQHTZRAGV-GFCCVEGCSA-N 292.435 4.707 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H]2CC[C@H]1O2 2354257334 WBBIFLLRVSCDEJ-RCCFBDPRSA-N 281.484 4.817 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1[C@@H]2CCOC[C@@H]21 2355957380 QNUVPAGITDOHJR-XDNAFOTISA-N 282.468 4.551 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2358461520 MRCNUAXQXLMTMZ-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(C)c(C)c1 2360202318 SDKXGULUBVGNIM-GOSISDBHSA-N 289.488 4.818 30 10 CJEE N#Cc1ccc(COC(CC2CC2)CC2CC2)c(Cl)c1 2360203526 ZQHTVOHBMIIBPX-UHFFFAOYSA-N 289.806 4.697 30 10 CJEE CCCCCCCC[C@H](C)NCc1ccc(O)cc1C 2360254514 XYAHWRCGOXHPPG-INIZCTEOSA-N 277.452 4.929 30 10 CJEE C=CC[C@H](C)Sc1cccc(OC)c1[C@@H](C)NCCC 2360371362 LOCYIGPHDHMQRH-UONOGXRCSA-N 293.476 4.813 30 10 CJEE C=CC[C@H](C)Sc1cccc(OC)c1CN[C@H](C)CC 2360379884 ZETYWCPQGNLSFP-KGLIPLIRSA-N 293.476 4.640 30 10 CJEE CCCCCCCCN(C)c1nc([C@H](N)CCC)cs1 2360501113 FKLIPZSJFWWTOP-CQSZACIVSA-N 297.512 4.740 30 10 CJEE CCN[C@](C)(C#N)CCCCSCC1CCC(C)CC1 2360505262 BKUPKHZAJGIUIF-JCYILVPMSA-N 296.524 4.608 30 10 CJEE Cc1ccc(S[C@@H]2CCCCC[C@@H]2C#N)cc1C 37155473 DCSFDZZZKVTYSY-GDBMZVCRSA-N 259.418 4.868 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(Cl)c(C#N)c2)c(C)n1 37282128 KDKWFTWNEVCFPD-CYBMUJFWSA-N 299.805 4.705 30 10 CJEE COc1ccc([C@@H](C#N)CCc2ccccc2)cc1Cl 57696786 MQXKQDUUFRBFKD-OAHLLOKOSA-N 285.774 4.589 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)Cc2ccc(Cl)cc2)c1 57723858 YZSMVNPWWGMOSB-HNNXBMFYSA-N 299.801 4.761 30 10 CJEE CCCCCCCN[C@H](CC)c1ccccc1OC 59434619 IZLFFKHJMCKSRR-MRXNPFEDSA-N 263.425 4.706 30 10 CJEE C[C@H]1CC[C@@H](C)[C@H](Nc2ccc(C(C)(C)C#N)cc2)C1 68616477 FAHNHVHREIHTGO-JJRVBVJISA-N 270.420 4.724 30 10 CJEE CCCC[C@](C#N)(CC)Nc1ccccc1Cl 69381373 ORKDCKZPGBTHKN-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE CCOc1c(C(C)(C)C)cc(C#N)cc1C(C)(C)C 71455653 MDIKWSVENNFCDZ-UHFFFAOYSA-N 259.393 4.552 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C/c2cccc(OC(C)C)c2)c1 83194294 WWKXNGYMPNTTPT-ZHACJKMWSA-N 294.394 4.987 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)CC1 86954486 SKUYEIQLVDEVKS-JKSUJKDBSA-N 270.420 4.965 30 10 CJEE CN(Cc1ccc(Cl)cc1)CC1(CS)CCCCC1 94581348 PXRULQHEJLFBRM-UHFFFAOYSA-N 297.895 4.652 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCCCCS 94583749 HTYLPPOEWPWXPW-BZUAXINKSA-N 272.498 4.954 30 10 CJEE Cc1ccc(SC[C@H](CS)C(C)(C)C)c(C)c1 94588772 ZWDFVXSAJBUTBD-ZDUSSCGKSA-N 268.491 4.988 30 10 CJEE CCCCCCC[C@@](C)(NC(C)C)c1nccs1 104444734 BEPFVEFOVVZOKX-OAHLLOKOSA-N 268.470 4.717 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1CC)c1ccccc1Br 107495631 MPJHTBYRRRYFAY-LERXQTSPSA-N 283.209 4.510 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1C(=O)O 109970796 LHGNRSSYLMDWSM-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCCCOCCN[C@H]1CCC[C@H](C)C1 110239641 LSJIEEOLFJGMIZ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(CC)c2cccc(C)c2)C1 110263389 HPAZZQVUNJHEFU-JENIJYKNSA-N 284.447 4.930 30 10 CJEE C/C(=N/O)c1ccc2ccccc2c1OCC1CCCC1 110323355 RWZUHDVCQUSGTF-UYRXBGFRSA-N 283.371 4.607 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1CC(C)C 115238210 MJEVVMZAJHYHPD-GBESFXJTSA-N 296.543 4.691 30 10 CJEE CCCCCCC[C@](C)(NCCC)C(F)(F)F 116905687 LNYFZJMPIXCXRP-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCCCc1onc(N)c1-c1ccccc1 116906440 SRTITOHXHCTMCV-UHFFFAOYSA-N 272.392 4.827 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC[C@H]1OC 124774757 QHANYTHHWFGIKO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE N#Cc1cc(NCCC2CCCCC2)ccc1Cl 125047587 DXAPTSKIHXSEBH-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 125713905 CVOGWLLNUJPYDW-DLBZAZTESA-N 293.410 4.566 30 10 CJEE N#Cc1oc2ccccc2c1OCc1cccc(Cl)c1 126040746 DIFFIILDIXULRU-UHFFFAOYSA-N 283.714 4.537 30 10 CJEE CCCCc1ccc(Oc2nc(C)cc(C)c2C#N)cc1 126283666 GLYQOWSXQPGIEA-UHFFFAOYSA-N 280.371 4.705 30 10 CJEE CCSc1cccc(NCc2cscc2C)c1C#N 127084523 ALTQFMAQXVTTTN-UHFFFAOYSA-N 288.441 4.652 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@](C)(O)c2cc3ccccc3s2)C1 127289304 XSWUDEYJHYVWCJ-FSPWUOQZSA-N 299.439 4.829 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](OCC)C1CC1 130476635 BWIBIFLSIIYMEL-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE C=C(CC)C[C@@H](NC)c1cccc(Cl)c1Cl 131591712 YJTFJBJHOSUTDW-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE Cc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1C#N 133509983 XUJGVAZLQXLPKH-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE Cc1ccc(Cl)c(Oc2c(F)cc(C#N)cc2F)c1 134008439 USYSHJZVRWTPMX-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCCCCCCCC[C@@H](O)CCc1ccccn1 135354599 DCBDTHIYJHLLHJ-QGZVFWFLSA-N 263.425 4.516 30 10 CJEE CSc1cccc(Nc2cccc(Cl)c2C)c1C#N 136606759 RYFDBDLQMMHBOT-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCO[C@@H]1C 149685521 XETWESGRHGFVJC-SJORKVTESA-N 269.473 4.674 30 10 CJEE C[C@H]1CC(Oc2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)C1 164507135 RBLJJVCLRRDUOZ-GHMZBOCLSA-N 297.320 4.781 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)NC2CCCCC2)s1 166135274 YMWISIMVSMKEIY-ZDUSSCGKSA-N 276.449 4.533 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 212300511 XTENQSSJFMXOJK-BRWVUGGUSA-N 263.469 4.783 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(Cl)c1C 220445412 SLPYAWXHGKIZBA-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE SCC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCCC1 226152942 MRVDSLALKXAELV-IAGOWNOFSA-N 295.536 4.911 30 10 CJEE CC(C)c1cccc(Nc2cc(F)cc(C#N)c2)c1 227607097 BBAUSFWTDFXOLF-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCCCCCCOc1cc(CN)cc(C(C)(C)C)n1 228462641 SIZZOASXCNMAAH-UHFFFAOYSA-N 292.467 4.577 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCC23CCCCC3)c1 230173687 KDGXSPYSYQHFHQ-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE CC(C)CCCCCCNc1c(F)cc(C#N)cc1F 232541036 VDUUPAWJDYRKDG-UHFFFAOYSA-N 280.362 4.855 30 10 CJEE CCCCCCC[C@@H](C)NC1CCC(SC)CC1 232927127 DYYJBDPQAISZDT-QQFBHYJXSA-N 271.514 4.999 30 10 CJEE Cc1cc([C@@H](C)Nc2cccc(C)c2C#N)c(C)s1 235249897 JBNWKUNQFJVWIE-GFCCVEGCSA-N 270.401 4.718 30 10 CJEE CC1=C[C@@H](C)C[C@@H](CNc2cc(Cl)ccc2C#N)C1 235714535 GHLMTGPOAPOYPX-DGCLKSJQSA-N 274.795 4.616 30 10 CJEE N#Cc1ccnc(Nc2cccc3ccccc23)c1Cl 236052113 SUDOERINSKFLDT-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CCCc2ccccc21 236398655 SVVUXTBTQCCBHS-SFHVURJKSA-N 268.400 4.956 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@H]1C 251701959 QPSFYSNTBBGNQJ-MISXGVKJSA-N 296.336 4.814 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@H]1c1ccccc1 252899331 HJNIKDLZVSBSTA-KSZLIROESA-N 260.421 4.902 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2ccccc2s1 302241286 DXMWESMMQZAWRO-UHFFFAOYSA-N 256.370 4.524 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cc(F)ccc1Cl 302320236 DWAAFRODXRHSHN-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(Cl)c(F)c2)c1 308124834 XUUHMTFHELIGLU-NSHDSACASA-N 288.753 4.832 30 10 CJEE Cc1ccc(N[C@@](C#N)(CCC(C)C)C2CC2)cc1 311540940 IQLGAJVBTSSZIU-QGZVFWFLSA-N 256.393 4.516 30 10 CJEE C=CCCCCCCNc1c(Cl)cccc1[N+](=O)[O-] 312074451 PKSKDXOQWANHGA-UHFFFAOYSA-N 282.771 4.797 30 10 CJEE CCCC[C@@H](C)N(C)c1cccc(SCC)c1C#N 312127054 ZWMPKLJEDFSMFU-CYBMUJFWSA-N 276.449 4.685 30 10 CJEE C[C@]1(c2ccc3ccccc3c2)CCC[C@H](CC#N)O1 312596824 DKXZJGRHJWSHDI-QZTJIDSGSA-N 265.356 4.538 30 10 CJEE CC1CCC(C=O)(C[C@H]2CCC3(CCCCC3)O2)CC1 316660470 SRQWWSMARKALPU-AQFXKWCLSA-N 278.436 4.654 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCc2ccc(Cl)cc2)C1 317400036 LCKQVHQMITWWLI-CZUORRHYSA-N 264.796 4.668 30 10 CJEE CC1(C)CCC(C=O)(Cc2cccc(F)c2Cl)CC1 317825838 FQRFQOUGJVLXQT-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CCCC[C@@H]1C 318573753 WJOBQGXXRMFUDP-DLBZAZTESA-N 251.458 4.785 30 10 CJEE Cc1cccc(N[C@@H](C#N)C2CCCCCCC2)c1 381642136 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293.391 4.810 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H](C)c1cccc(C)c1 1167138214 KKAZHDCQKHUBCT-MRXNPFEDSA-N 283.390 4.883 30 10 CJEE C=CCCCCN1CC[C@@H](Sc2cccc(Cl)c2)C1 1170551602 YLCSAOUGAKVVFE-MRXNPFEDSA-N 295.879 4.863 30 10 CJEE C=CCCC[C@@H](NC1CC2(CO[C@H](C)C2)C1)c1ccccc1 1183550592 JQMOFCNDAHKRIA-IHJVYAAUSA-N 299.458 4.631 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H]2CC[C@H](C2)C1 1199027772 HLZBPWNIQPAADS-BJWYYQGGSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc2c1OC(C)(C)C2 1203113185 JCXGEOFWKTZSHN-CRAIPNDOSA-N 299.458 4.625 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 1292861498 WBLZLBUJIGJZOK-MOPGFXCFSA-N 299.458 4.506 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 1308382840 BXSJOPSQMRPDHT-IKICRFKJSA-N 289.850 4.920 30 10 CJEE C=CCCCCCCNCc1ccc2ccccc2c1O 1308753326 OVXZALJOVBXHSY-UHFFFAOYSA-N 283.415 4.772 30 10 CJEE C#Cc1cccc(NC(=O)[C@@H](CC)CC2CCCCC2)c1 1354575153 DIZVNVAFGBGERD-KRWDZBQOSA-N 283.415 4.603 30 10 CJEE 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HPCUQPSVDFOIMY-PREGVCBESA-N 285.541 4.727 30 10 CJEE CCC[C@@H](CC)COc1cccc(SCC)c1C#N 2353561288 PIXPVCGTMKMMGX-CYBMUJFWSA-N 277.433 4.875 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@H](NC)c1ccc(F)cc1 2360336674 LZDAHURWNPUSEA-GUYCJALGSA-N 293.451 4.729 30 10 CJEE CCCCCCCCC/C=C\CCC[C@H](OC)C(=O)O 8437637 KGJRSNOTKLROQM-JNSOCZORSA-N 284.440 4.953 30 10 CJEE in-vitro CCN(C)CC[C@](C#N)(c1cccc2ccccc12)C(C)C 31622831 ZIRVTXQLOJWYHT-HXUWFJFHSA-N 294.442 4.599 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1nc2ccccc2s1 35018270 DDFBXSGBAMCFEY-GFCCVEGCSA-N 293.395 4.535 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc2cnccc12 52908789 AHIIGPMTQXXTNM-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N#C[C@H]1CCC[C@@H]1Nc1ccc(Oc2ccccc2)cc1 54823240 LZHDLVAIGOTAAA-KDOFPFPSSA-N 278.355 4.583 30 10 CJEE CC[C@@H](C)Oc1cccc(N[C@H]2CCCCC[C@@H]2C#N)c1 54829417 QFGPMADAUDZQFK-RKVPGOIHSA-N 286.419 4.748 30 10 CJEE C[C@](C#N)(CCOc1cccc(Cl)c1)c1ccccc1 57687650 HJMSGDWLIOFHFD-QGZVFWFLSA-N 285.774 4.590 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)Cc1cccc(Cl)c1 57736456 RDQOPVYFSQJOKC-CQSZACIVSA-N 285.774 4.507 30 10 CJEE N#C[C@@H](Cc1cccc2ccccc12)c1ccc(F)cc1 57739033 GJMHKEADYDCHRI-QGZVFWFLSA-N 275.326 4.829 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@H](C)c1ccccc1 57747008 IZMNHQJUQLMZIE-MLGOLLRUSA-N 285.774 4.759 30 10 CJEE CCCCCCCCNc1ccc(OC)c(F)c1 59228111 PCEXTWKAUGFLTL-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c(C(=O)O)c1 59462101 DBAZGFKNOIZLSE-GFCCVEGCSA-N 281.371 4.685 30 10 CJEE N#Cc1ccc(Oc2cccc(Cl)c2)c(Cl)c1 62793964 SCDFXLAYRUDVIW-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(Br)cc1 71126432 NVNWMYCYVLZWJT-UHFFFAOYSA-N 279.177 4.522 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(NC2CCCCC2)CC1 86959861 DBVYJLQJCLFSEO-YJBOKZPZSA-N 276.468 4.797 30 10 CJEE CC(C)c1cccc(OCC2(CS)CCCC2)c1 94582626 JMPLJMUGTNANBB-UHFFFAOYSA-N 264.434 4.679 30 10 CJEE CC(C)CC1(CNc2ccc(C#N)cc2F)CCCC1 94877898 YGRQNQGECJBPAC-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE CCCCCCC[C@H](Nc1cccc(Cl)c1)C(=O)O 104172074 VXMNIZJWNKWLPI-AWEZNQCLSA-N 283.799 4.566 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1C[C@@H]2C=C[C@H]1C2 109900840 WINWPXNCRFOFTC-ILXRZTDVSA-N 271.429 4.589 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@H](C)c2ccccc2Cl)c1 110258472 PYILWYFQFVRUPZ-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE C[C@H]1CCC[C@H](c2nc(-c3cccc(C#N)c3)cs2)C1 110310535 HMGBKOJIAWZYTO-WFASDCNBSA-N 282.412 4.975 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]2CC[C@@H]1O2 112646134 OGQQUXOTYZBCIO-MHORFTMASA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[S@@](=O)c1ccc(F)cc1 113540389 DDOQUFVMJSHCGI-SFHVURJKSA-N 270.413 4.684 30 10 CJEE CCCCCCC[C@@H](O)CSc1ccc(C)cc1 116707659 NVBPMTMOSXAEEL-OAHLLOKOSA-N 266.450 4.809 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C(C)(C)N(C)C 118137772 PSZPRLDSQPMWFW-QGZVFWFLSA-N 285.516 4.999 30 10 CJEE CCCCCCC[C@H](NC)C(C)(C)N1CCCCCC1 118149779 YPSFJOZXSXVYFZ-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](NC)[C@](C)(CC)N1CCCCC1 118163902 JQFSSYJJUUMFHN-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@]1(CN)CCCC(C)(C)[C@@H]1O 124173940 JFQACHJXBQOIHV-FUHWJXTLSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccccc1Cl)NN 125872161 QGZDCVDZFYXFTD-INIZCTEOSA-N 296.886 4.855 30 10 CJEE COc1ccc(NC2(C#N)CC(C)(C)CC(C)(C)C2)cc1 129801514 UVNFWZPJHCRTIQ-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE CCCCCCCCCCC(=O)CCOCCC 135631626 SCHSHOZULBGLFX-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCSc1cccc(Nc2ccc(OC)cc2C)c1C#N 136659760 PTBRIRGVQCGSIF-UHFFFAOYSA-N 298.411 4.731 30 10 CJEE CCCCCCCCOC[C@@H](NCC)C1CCCCC1 157568156 HMFIZJMMGVHWLL-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)N1CCCC1 161158138 RJSKFGKJSHXUHN-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCC[C@H](O)Cc1cccc(Cl)c1F 162103318 GJASOXXQXLRHRN-ZDUSSCGKSA-N 272.791 4.743 30 10 CJEE N#C[C@@H](C(=O)c1sccc1Cl)c1ccccc1Cl 162987195 CTQQMCPQJAOPPK-SECBINFHSA-N 296.178 4.545 30 10 CJEE Cc1cccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1C 164398034 BQQXAJORPRRTQT-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCCC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164457354 BAJXVTVJYPKBDS-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE C=C(C)CCSc1ccc(CNC(C)(C)C)cc1 164868214 LMKVEUNLVRIGOJ-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCC[C@@H]1C(C)C 214681229 SVSQMEYCJOCOKV-WBVHZDCISA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC(=O)CC[C@H](CC)CCN 226450894 SOTQMYJWTVHPDV-INIZCTEOSA-N 269.473 4.851 30 10 CJEE C[C@H]1CCC[C@H](S[C@@H]2C[C@@H](C)CC[C@@H]2C#N)C1 226532537 VUPCRGYBHGWFML-SBJFKYEJSA-N 251.439 4.627 30 10 CJEE CCCCCCCC(=O)c1cccc2ncccc12 229295392 MQKYKFLWCFOMFM-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCCC(=O)c1cnc2ccccc2n1 229889434 FCZYLYWIMLYGJF-UHFFFAOYSA-N 270.376 4.563 30 10 CJEE CCCCCCCCC[C@H]1NCCc2ccc(O)cc21 232948121 PWSYUGHBZFCUBE-GOSISDBHSA-N 275.436 4.720 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc2c(c1)CCC2 234446907 UATSSQKAIKZQNN-SFHVURJKSA-N 257.421 4.572 30 10 CJEE Cc1ccc(Oc2ccc3c(c2)CCCC3)c(C#N)c1 235989052 ALZJQLZGHGMRTM-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCCc2sccc21 236301785 MIDJUEHJYAGYSO-HIFRSBDPSA-N 263.450 4.632 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Br)s1 236537674 SLPIYEKELSQLGB-JTQLQIEISA-N 289.238 4.681 30 10 CJEE CCCC[C@H](CC)COc1cc(C)ccc1C(C)=NO 252453287 GIEWQDMULHGBPI-HNNXBMFYSA-N 277.408 4.788 30 10 CJEE N#CC1(c2ccc(SC3CC3)c(F)c2)CCCCC1 260252815 BIJVYKRJQGNKTD-UHFFFAOYSA-N 275.392 4.806 30 10 CJEE CC[C@](C#N)(CCCS[C@H]1CCC[C@H](C)C1)NC1CC1 300207019 PMIPRMQADFFYOE-BHYGNILZSA-N 294.508 4.503 30 10 CJEE C[C@H]1CCC[C@@H](COCC2(CS)CCCCC2)C1 302455348 XVVDNKSKIUUASD-LSDHHAIUSA-N 270.482 4.710 30 10 CJEE C=C(B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1Cl 307568111 VINGHPYJZRVXEL-UHFFFAOYSA-N 299.006 4.638 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1cccc(Cl)c1F 310120699 UPFJYKGWTXEYCQ-CMPLNLGQSA-N 253.748 4.768 30 10 CJEE C=CCCCCCCNc1cc(Br)ccc1N 310230363 PUALXLDYUQPVLX-UHFFFAOYSA-N 297.240 4.580 30 10 CJEE CC(C)C(Nc1ccc(C(C)(C)C#N)cc1)C(C)C 311340808 IGDMYHWCAOAKKW-UHFFFAOYSA-N 258.409 4.580 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@@]2(C#N)CCc3ccccc32)C1 311979117 QLPRTAIBNRUFSF-IIDMSEBBSA-N 253.389 4.611 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2Cc3ccccc3S2)C1 316893370 SNAAURGNQHOHJO-KYJSFNMBSA-N 288.456 4.879 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cccc(F)c2Cl)C1 316913460 VSSPLFJBVUMLBJ-WBMJQRKESA-N 282.786 4.807 30 10 CJEE CC1CCC(C=O)(CCCCc2ccccc2)CC1 317152138 GHIZIZPZAQTUJR-UHFFFAOYSA-N 258.405 4.795 30 10 CJEE CC(C)CCCCC[C@@]1(C=O)CCc2ccccc2C1 317704431 KZGOEUZLQBVBTL-LJQANCHMSA-N 272.432 4.967 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CCC(F)(F)C2)CC1 317926672 UNCHEQYQFBGVGP-GFCCVEGCSA-N 258.352 4.597 30 10 CJEE CCC[C@](O)(C1CCC1)C1(C#N)CCC(C(C)C)CC1 322880275 APJGJHFGRIRMCU-VJFUWPCTSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCOC[C@]1(C)CCNC1 381317705 VPPFHOHMIKWWIH-GOSISDBHSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCCCNC[C@H](CO)C(C)C 394045076 IOCVIABDOMDZHL-GOSISDBHSA-N 285.516 4.761 30 10 CJEE CCCCCCCCC[C@@H](CC1(CC)CCC1)NN 394089248 PXAKKBCUTFHDCM-INIZCTEOSA-N 268.489 4.929 30 10 CJEE CC(C)CCCCCC/N=C1/NC[C@H](C(C)C)CS1 394184751 OZPCWORDHMJGQM-HNNXBMFYSA-N 284.513 4.558 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H](NCCC)CO[C@@H]1C 405821282 KHLLYOZZGIABQO-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)c1cccs1)c1ccccc1 487601213 BSMYDFLMJBXHAH-ZBFHGGJFSA-N 299.439 4.675 30 10 CJEE N#Cc1cccc(-c2ccccc2C(F)(F)F)c1Cl 514260836 FTBQZSRYMJGQNH-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE COC1CCC(C2(C=O)CC(C)(C)CC(C)(C)C2)CC1 686366222 GQRIFGHDFRTNAH-UHFFFAOYSA-N 280.452 4.613 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCC[C@H](OC)C1 686368431 YDPPVOVKTRGQBI-CABCVRRESA-N 254.414 4.511 30 10 CJEE C#CCCCCCC(=O)c1cc2ccccc2s1 686699538 IFADJADZDJOUHR-UHFFFAOYSA-N 256.370 4.668 30 10 CJEE C#CCCCCCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 686702021 YDOIMKMYOFVDFM-QFBILLFUSA-N 270.416 4.969 30 10 CJEE C=CC[C@@H](CNC(C)C)CC(C)(C)C(F)(F)CC 691019676 KXLZGAOJYMJUGA-CYBMUJFWSA-N 261.400 4.638 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(C#N)NC1CCCCCC1 691077638 PEVGMTJYRBIFSG-WBVHZDCISA-N 262.441 4.551 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cnc(C(C)(C)C)s1 692240918 RLOMWWSONWDVHJ-DZGCQCFKSA-N 292.492 4.665 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(Cl)cccc1OC 692242710 ZFARYNOUGXBZRL-CZUORRHYSA-N 293.838 4.573 30 10 CJEE C=C1C[C@H]2CC(NC3CCC(CC)CC3)C[C@@H](C1)C2 697294270 AORBEJDOJFZLMV-FUDRRUEFSA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)c(F)c3F)C[C@@H](C1)C2 697330059 AZJYNUQUGJLSBV-FOSCPWQOSA-N 281.321 4.651 30 10 CJEE CCCCCCC[C@@H](CC1CC(OC)C1)NCCC 704189370 VNCUVXZBTYFWBN-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc2cscc2s1 710695138 FQAHNYVDCZUTRS-JTQLQIEISA-N 271.838 4.756 30 10 CJEE C=C([C@H](C[C@H](CC)C(C)(C)C)NCCC)C(F)(F)F 711211147 AMYDIULMLBEXJF-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=C(Cl)C[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 712575166 ZPYSTJXFRDIGJE-SNVBAGLBSA-N 298.135 4.762 30 10 CJEE C=CC[C@@H](C)Nc1cccc(Oc2ccccc2)c1 715039219 LSESITAGKICQTN-CQSZACIVSA-N 253.345 4.855 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(F)cc1Cl)NCCC 715723627 YWYTVPVNZJYKIM-WBMJQRKESA-N 283.818 4.602 30 10 CJEE CC(C)C(C)(C)CSc1cc(Cl)ccc1C#N 718794440 YVTASQCAWMECJS-UHFFFAOYSA-N 267.825 4.986 30 10 CJEE COc1cc([C@H](C#N)C2C[C@@H](C)C[C@H](C)C2)ccc1C 719378217 SFQDIWIQUFZRAJ-DCGLDWPTSA-N 271.404 4.683 30 10 CJEE CCCCCCCCC[C@@]1(N)CCC[C@@H](OCC)C1 721249798 PNTVDAGUSFRERA-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE C=C1CCC(C[C@H](O)[C@H](CC)c2ccccc2)CC1 724556405 OFFCFZRPOBFWQJ-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE Cc1ccccc1C1CC(=NNc2cc(F)cc(F)c2)C1 743437458 FERFJYMUCOFQCI-UHFFFAOYSA-N 286.325 4.619 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(F)(F)CC 834315438 ZSSRBEKGFBMVFQ-UHFFFAOYSA-N 281.346 4.522 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)C1CCCC1 1125520483 BWUZHLWPLDDDEG-HNAYVOBHSA-N 285.431 4.636 30 10 CJEE C#CCCCCCCN[C@@H](c1ccccc1)C(C)(C)C 1167700276 OGHMVPXRQWZZQO-SFHVURJKSA-N 271.448 4.947 30 10 CJEE C#CCC1(NCC2CCC(CCC)CC2)CCCCC1 1203809190 DGBQVIMZIOTSQG-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(F)c(OC)c(F)c1OC 1205861442 WONJOURCTAUQGB-LLVKDONJSA-N 299.361 4.529 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@@H]1CCCC[C@@H]1C 1221964091 RLDRRRIJXDRPIY-IRXDYDNUSA-N 294.483 4.591 30 10 CJEE C#CCCCCNCc1ccc(-c2ccc(Cl)cc2)cc1 1308331300 UTVWOIUDZDASAO-UHFFFAOYSA-N 297.829 4.900 30 10 CJEE C=CCCCCCCCNCC1Cc2ccccc2C1 1308806417 VSMNVTFXSRWXAY-UHFFFAOYSA-N 271.448 4.518 30 10 CJEE C=CCC1(C(=O)NCc2c(C)cc(C)cc2C)CCCCC1 1349959821 ANOWHIVTCIYEMB-UHFFFAOYSA-N 299.458 4.755 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)CC1 1354585412 PGUQXZVALUYYGS-IBGZPJMESA-N 299.458 4.521 30 10 CJEE C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1358503478 NYXDCVZYXQGYJB-HDMKZQKVSA-N 279.468 4.557 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CCC(C)C)C(C)(C)C 1360521916 PLLDLTMBHVBAGJ-CQSZACIVSA-N 267.457 4.556 30 10 CJEE C=CCCC1(CNC(=O)C2(CCC)CCC2)CCCC1 1437641173 UYDSTGCUFKMCQU-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC[C@@H](C)CCC 1466315813 VPUPQGDZZSDEJZ-HNNXBMFYSA-N 288.435 4.753 30 10 CJEE C=C(C)CCN[C@H](c1ccc(F)cc1)C1CCCC1 1473339484 AUTVPASXFXXVCS-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1ccccc1 1520011689 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CJMOMNABDMIFCE-KRWDZBQOSA-N 277.839 4.533 30 10 CJEE C=C[C@@H](C)ON[C@@H](CC)c1ccc(Cl)cc1Cl 400912574 FRHFSUFZDIVWGC-RNCFNFMXSA-N 274.191 4.540 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccns1 401111380 HPTBVYZSXQNTAO-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE C=C(Cl)CNc1cc(Cl)c(Cl)c(Cl)c1 404201247 MNCJTIKJFDMQSG-UHFFFAOYSA-N 270.974 4.811 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C)OCc1ccccc1 404202096 QHAHCQINPZJPLM-WMZOPIPTSA-N 278.436 4.703 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H](C)O[C@@H]1C 686510297 APYAZNUBJPSKQF-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@]2(O)CCCC2(C)C)C1 688338994 SDDVLCBXNXWZLH-GOSISDBHSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)cc(F)c1F 691235347 JGHWAEBDFAFPLE-ZDUSSCGKSA-N 275.770 4.979 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1ccc(Cl)cc1 695888966 BMRDPROPYQSPDQ-SNVBAGLBSA-N 253.798 4.760 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H](N)CC(C)(C)C 696905706 IJBOMVOQVKKCFJ-HZPDHXFCSA-N 271.489 4.642 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)c(C)cc3F)C[C@@H](C1)C2 697320093 IPZFEGXNBWUGQG-PBWFPOADSA-N 277.358 4.820 30 10 CJEE C=CCC[C@@H](NCCC)c1ccsc1Br 698686721 QBTNDMPQSPAOJE-LLVKDONJSA-N 288.254 4.518 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C(C)(C)C)ccn1 699554718 MISSNFLRIUHSMP-GDBMZVCRSA-N 272.436 4.926 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 702172420 KPYUKUPMASBKQU-RFAUZJTJSA-N 296.197 4.606 30 10 CJEE CCCCCCCNc1cccc(Br)c1C#N 703778385 TXJJYAFYGUSWMP-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCCC12CC2 706255621 ONQXRTMOXWAXQB-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H](C1)C2 708332797 XNZROFGVXDOMBC-FNNOIMFVSA-N 275.480 4.926 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN[C@H](C)C1 709348488 YOBOSRXXRCVENM-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(c2ncccc2Cl)C1 711169044 HGMVGSCEQFNXRZ-UHFFFAOYSA-N 276.811 4.733 30 10 CJEE CC#CCC[C@H](C[C@@H](CC)C(C)(C)C)NCCC 711200992 WQUWJOZSZGWRBO-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CCCCCCCCC[C@@H]1C(=O)CCN1[C@H](C)CC 712046994 SWXIRFLLPMPXEE-HZPDHXFCSA-N 267.457 4.569 30 10 CJEE C[C@H]1CCC(C)(C)C[C@]1(C#N)Nc1ccc(Cl)cc1 713083021 OQBDYLDTUXQISY-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccccc1C(C)(C)C 715799411 ZXRUZMQKLFTZQW-WMLDXEAASA-N 259.437 4.847 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](C)[C@H]1CCCO1 720160961 XDHQZPUWJDEXJB-IXDOHACOSA-N 270.457 4.693 30 10 CJEE N#C[C@]1(NC2CCCCCC2)CC[C@H]2CCCC[C@@H]2C1 723611267 WNSXXPWKGMYCJX-NUJGCVRESA-N 274.452 4.551 30 10 CJEE C=C1CCC(CNCC2CCC(C(C)C)CC2)CC1 724441307 XOUCFKSKWKKDKM-UHFFFAOYSA-N 263.469 4.785 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2C[C@@H]2c2ccccc2)CC1 724615045 CQFGROASPPRLAJ-QYZOEREBSA-N 269.432 4.515 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)CC[P@](C)(=O)OCC)c1 898308840 FLARMTPHNZUKMW-VBKZILBWSA-N 295.363 4.855 30 10 CJEE CC(=O)c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1084170713 PJAQJPICKRCHLF-UHFFFAOYSA-N 292.165 4.947 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1ccc([C@@H](C)CC)cc1 1127549529 PTTNUQRDIBGFCE-KSSFIOAISA-N 274.404 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1OC(F)F 1171921314 SLUNFEFFQINTAC-UKRRQHHQSA-N 295.373 4.513 30 10 CJEE C=CCCN1CCC[C@@H](Cc2csc3ccccc23)C1 1193103651 KUXMVBSKOAZCAC-HNNXBMFYSA-N 285.456 4.732 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C2CCC2)cc1 1203227889 IYVMFAIFHSXELD-UHFFFAOYSA-N 257.421 4.789 30 10 CJEE C=C(C)c1cccc(NCc2ccc3c(c2)C[C@@H](C)O3)c1 1203962014 VFJXWNLBYBWMET-CQSZACIVSA-N 279.383 4.655 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(C)c2ccccc2n1C 1308464866 YSWQCIFAZLVRJB-AEFFLSMTSA-N 296.458 4.711 30 10 CJEE C#C[C@@H](NCCC1CCCCC1)c1ccc(Cl)cc1F 1308758570 RFCWTTCAJWQOIL-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc([C@@H](C)C(=O)OC)c1 1308814865 BUONZGDXHZIION-GDBMZVCRSA-N 289.419 4.510 30 10 CJEE C=CCCCCCN(C)C(=O)C=C1CCC(C)(C)CC1 1360623962 BIZHJQQGMXBCCC-UHFFFAOYSA-N 277.452 4.718 30 10 CJEE CCCCCCCCCCN1CCSC(C)(C)C1 1459651556 HXTCIKVXUYKQMX-UHFFFAOYSA-N 271.514 4.955 30 10 CJEE C#CCN(CCc1ccc2ccccc2c1)Cc1ccccc1 1460071301 MUMHQZXHTOYLHJ-UHFFFAOYSA-N 299.417 4.518 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCC[C@H](C(C)C)C1 1461205804 WUJHKLHFYRFCNZ-FUHWJXTLSA-N 287.447 4.556 30 10 CJEE C#C[C@H](N[C@H](CCC)CCC=C)c1ccc(Cl)cc1 1462303540 GMEMSYZXKQOGHV-SJORKVTESA-N 275.823 4.739 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C1CCC(CCCC)CC1 1463202285 DAPRDMYDQZSDAX-DAWZGUTISA-N 291.479 4.940 30 10 CJEE C=CCN(C/C=C/c1ccc(F)cc1)Cc1ccccc1F 1474365833 FLXUQOZSMAIGTC-AATRIKPKSA-N 299.364 4.666 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(C)(C)C)c1 1528527565 KTEKNAIFOWBAMF-MAUKXSAKSA-N 299.458 4.849 30 10 CJEE C#CCCCCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 1559766277 DKSKDNKIWGPBOB-SFHVURJKSA-N 291.385 4.755 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(C)CCC(C)(C)CC2)C1 1560506516 GOHWLVDMMQTFSY-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC12CCCC2 1564863532 DIBVCVJKKJAKNS-UHFFFAOYSA-N 292.467 4.631 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 1584162125 VFMOVHQMNNSWMB-OKZBNKHCSA-N 291.479 4.846 30 10 CJEE C=C1CCC(CNC(=O)[C@H](CCC)CC2CCCC2)CC1 1611415380 BHQJOSDWQOMZND-GOSISDBHSA-N 291.479 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(Cl)c1 1617466403 PMXGOROUACMHHL-CZUORRHYSA-N 291.822 4.513 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc(C(C)C)nc1CC 1620642220 LTCRSVFPPGJNME-KRWDZBQOSA-N 286.463 4.698 30 10 CJEE C=CCC[C@@H](Nc1cc(CCCC)ncn1)c1ccccc1 1639670800 RUEPKWLMRXFWQI-GOSISDBHSA-N 295.430 4.939 30 10 CJEE C=C(CC)CN1CCC[C@@H]1c1ccc(Br)cc1 1641956587 SYZMFFFCWGCCPA-OAHLLOKOSA-N 294.236 4.552 30 10 CJEE C=CCCCCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 1645688936 TZJGHYRRHHJDJP-GOSISDBHSA-N 297.446 4.836 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cc3cc(C)ccc3o2)C1 1651330981 QRNHCUNLNLSMSC-GDBMZVCRSA-N 269.388 4.576 30 10 CJEE C=CC1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 1651728579 DKPIPNZUGRXTMT-CYBMUJFWSA-N 297.364 4.707 30 10 CJEE C=CCC1(CN[C@@H](C)CCc2ccsc2)CCCC1 1652462596 GQCZKTMYBUIPCY-HNNXBMFYSA-N 277.477 4.795 30 10 CJEE C=CCCCCCN[C@H](C)c1ccccc1OC(F)F 1653080912 FSIWZYUSSDSFCE-CYBMUJFWSA-N 283.362 4.685 30 10 CJEE CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1C 1653241789 FWDMIONLMYYBPQ-FXAWDEMLSA-N 298.474 4.843 30 10 CJEE C=CCC1(CNCc2cc3ccc(C)cc3[nH]2)CCCC1 1656242197 XXHFMAQGCFFYJM-UHFFFAOYSA-N 282.431 4.702 30 10 CJEE C=CCCCCN(CC(C)C)c1cccc(OC)c1 1657599067 BWOSBUHUWFPMNP-UHFFFAOYSA-N 261.409 4.514 30 10 CJEE C#Cc1cccc(NC[C@H](C)CC2CCCCC2)c1 1657653154 WMWWQMNRNUEYBA-OAHLLOKOSA-N 255.405 4.686 30 10 CJEE C=C(C)CCN[C@@H](C)Cc1ccc(-c2ccccc2)cc1 1658144479 NSMXCILAZVSFRP-KRWDZBQOSA-N 279.427 4.840 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC(c2ccc(F)cc2)C1 1659642254 WZDYOJIQXXFXPL-JVGQSUMCSA-N 287.422 4.796 30 10 CJEE C#Cc1ccc(CN[C@H](c2ccccc2Cl)C(C)C)cc1 1661439930 GJFZLJRHQLJGPJ-IBGZPJMESA-N 297.829 4.808 30 10 CJEE C=CCCCCC[C@@H](C)NCC(F)(F)c1ccccc1 1664922401 JYUBXEHXRQLQQL-OAHLLOKOSA-N 281.390 4.893 30 10 CJEE CC#CCCCC1(N)CCC2(CCCCCC2)CC1 1879650527 LBZJIRFEVRHKLK-UHFFFAOYSA-N 261.453 4.792 30 10 CJEE Cc1ccc(Cl)cc1N=C1N[C@@]2(CC[C@@H](C)C2)CS1 1880884252 AOYLXBJCBZSYRN-MEBBXXQBSA-N 294.851 4.531 30 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297.508 4.737 30 10 CJEE CC[C@](O)(c1ccc(Cl)cc1)[C@@]1(C#N)CCCC[C@@H]1C 1921042168 OQUFBLBCEVUMAF-XKQJLSEDSA-N 291.822 4.658 30 10 CJEE CCC1CC(CN=C2NC3(CCCCCCC3)CS2)C1 1921228788 UGXMCDNYJDUTAQ-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE O=C[C@]1(C[C@@H]2CCCCC2(F)F)CCCC12CCC2 1921589656 OMVXOVRQCIYPTJ-DZGCQCFKSA-N 270.363 4.742 30 10 CJEE N#CC[C@@H](c1ccccc1)N(Cc1ccccc1)C1CCC1 1932001030 YUVHJQUUNHBWJE-FQEVSTJZSA-N 290.410 4.696 30 10 CJEE C=C(C)CCCN[C@@H]1C[C@@H](C)Sc2sccc21 1947295024 HHNXYCDCSNBPIA-DGCLKSJQSA-N 267.463 4.619 30 10 CJEE C=C(C)CC[C@H](C)Nc1cc(Cl)c(Cl)cc1N 1947379900 CMYLRFPWTRZJIW-VIFPVBQESA-N 273.207 4.732 30 10 CJEE C=CCN(CC[C@H]1CCCC1(F)F)Cc1ccccc1 1954905240 PKECLJVZAPJARZ-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)C1CC(F)(F)C1 1967833301 AIBBEPWQZCUWJJ-OLZOCXBDSA-N 261.400 4.759 30 10 CJEE C[C@@H]1CCC[C@H](CCOc2ccc(C#N)c(Cl)c2)C1 1968547049 ZMTYTZFFKSRZTB-CHWSQXEVSA-N 277.795 4.807 30 10 CJEE N#Cc1cc(Cl)cc(O[C@H]2CCC3(CCCC3)C2)c1 1969519628 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C=C(CC)C[C@@](O)(CC)c1ccc(C(F)(F)F)cc1 2343779597 QQYXURORMKXVDN-AWEZNQCLSA-N 272.310 4.659 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC2(CC2)C1)NCC 2344336923 MRAILEYXVOUOFK-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(F)c(Cl)c1F 2344338923 DWDMVSVEFDCULY-AWEZNQCLSA-N 287.781 4.871 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1nc(C)c(C(C)(C)C)s1 2344340784 VKDHIFUHKHEJMP-DGCLKSJQSA-N 280.481 4.612 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(CCC)c1 2344345291 MJVCAXLDMRWWOW-CRAIPNDOSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1csc(COCC)c1 2344347287 AJJBUQDGAGLQCO-JKSUJKDBSA-N 281.465 4.538 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1nc(C(C)(F)F)cs1 2344373763 CRYLRUIGIZMTNW-YPMHNXCESA-N 288.407 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC=CC#CC(C)(C)C)NC 2344375156 MEEMEWWDXMLEAX-SJLPKXTDSA-N 261.453 4.563 30 10 CJEE CC1(C)CC[C@]2(CCN2C[C@@](C)(CS)C(C)(C)C)C1 2352068543 MYLVADNBYOIASY-IRXDYDNUSA-N 283.525 4.623 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@@H]1CCCC12CCC2 2352083339 HYKVEQKBUYPBLW-ZBFHGGJFSA-N 283.525 4.623 30 10 CJEE CC(C)C[C@H](CS)CN1CCCC2(CCCCC2)C1 2353840603 AVMGFOMMFLDRCW-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CC(C)C[C@@H](CS)CSc1ccc2ccccc2n1 2353844614 ICDNAZTWORQZIR-ZDUSSCGKSA-N 291.485 4.919 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C)OC 2356693869 KHKMYEOZKLRUMA-ZKXLYKBJSA-N 281.484 4.529 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@@H](NCC)c1ccccc1 2360200129 FSWKLUVODCXWHO-CRAIPNDOSA-N 289.488 4.980 30 10 CJEE N#Cc1ccc(SCc2ccccc2)cc1Cl 39295757 WJFBOSVPVSYPPF-UHFFFAOYSA-N 259.761 4.504 30 10 CJEE C=C(C)COc1ccc2ccccc2c1CNC(C)(C)C 66115544 CBXBNMOKGCBSJE-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE N#C[C@@]1(CCCc2ccccc2)CCCc2ccccc21 87930140 GDVRVKXTFNSLQM-HXUWFJFHSA-N 275.395 4.807 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccccc2F)CC1 87960224 FTJLGLFHZDOLIJ-UHFFFAOYSA-N 259.368 4.724 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(O)C1(C#N)CCCCCC1 91876201 XHYWODKUYGHHPI-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2ccc(Cl)cc2)C1 91877662 MQGRFAXZLNLCQW-KBRIMQKVSA-N 291.822 4.658 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)cc(F)c2C)cc1F 94837256 CCJPWZYIJUILFE-LBPRGKRZSA-N 286.325 4.626 30 10 CJEE C=C(C)C[C@H](Cc1cccc2ccccc12)NCCC 97283166 PVAVIKZQIIIBRD-GOSISDBHSA-N 267.416 4.717 30 10 CJEE CC(C)CN(CCCCCCCCCS)C1CC1 97799345 PCNGNERDGNMEAL-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE FC(F)(F)CCOCCCCCCCCCS 97799868 ACNGZJZFQQTORQ-UHFFFAOYSA-N 272.376 4.616 30 10 CJEE CCCCCCCn1cc(CC(=O)O)c2cc(C)ccc21 107040361 NKWJNIDIZDUKEP-UHFFFAOYSA-N 287.403 4.547 30 10 CJEE C=CCSc1ccccc1NC[C@H]1C[C@H]2C=C[C@H]1C2 109900838 WINWPXNCRFOFTC-SOUVJXGZSA-N 271.429 4.589 30 10 CJEE CCCCCCCCO[C@]1(CNC)CCC[C@H](C)C1 110070365 DSNMKNXJUHXYAU-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCOCc1cc(CNC(C)C)oc1C 110171198 RNIDMPVESURYLZ-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE CC[C@@H](C)[C@@H](C(=O)C1=CCCCC1)c1ccccc1 110174749 RVVHXJHIJCDPRX-RHSMWYFYSA-N 256.389 4.886 30 10 CJEE CCCc1ccc(Oc2cc(Cl)ccc2C#N)cc1 110263093 UPVQQDATIYLOIB-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1ccc(F)cc1C#N 111037185 RKAHFEPWMCFHRE-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCCCCCCCCN1CCCc2cc(CN)ccc21 111236313 OGCDZLWZZKXEJW-UHFFFAOYSA-N 288.479 4.649 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)COC2 115064738 RCRAQNCYJVUSSR-KRWDZBQOSA-N 262.393 4.501 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)CCOc2ccccc21 116256298 NHNMCGWOPZGHPQ-GOSISDBHSA-N 290.403 4.542 30 10 CJEE CCCCCCCC[C@@H](N)C1(N(C)C)CCCCCC1 118186689 OCDOXENYLJZRJQ-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)nc2ccccc12 118563255 KKQIKLJMIAMKQF-SFHVURJKSA-N 271.404 4.937 30 10 CJEE CCCCCCCCCC[C@H](CC[C@H]1CCCCO1)NN 122636324 PAASMYIAIKADNJ-QZTJIDSGSA-N 298.515 4.698 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 124666633 TVUNGTVFNVGCGR-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE CC1(C)CCC(Nc2cc(C#N)ccc2Cl)CC1 125663955 ZTGBZJDEFSJDIS-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](OCC)C(C)(C)C 131962920 QGEUSLLFXDHXBQ-CVEARBPZSA-N 271.489 4.776 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)OC)NCCC 134492647 JVJSSSKKXWDYQT-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCOC(=O)CCCCCCCN 136595429 ZKIPXJHSDKJMMV-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1ccc(C(F)(F)F)cc1 158959547 WGOVZUOEZNRYTA-INIZCTEOSA-N 299.380 4.686 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 164017783 UZEWUKYFWQXTNR-DGCLKSJQSA-N 296.336 4.958 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 185866201 NXJBBRAXEUTVMP-GDBMZVCRSA-N 289.419 4.634 30 10 CJEE Cc1cc(C#N)ccc1NCc1ccc(C(C)C)cc1 203444933 HJPACIFWBSMJIX-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CCC[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1C#N 211317346 MIINXLVULICSCK-AWEZNQCLSA-N 296.336 4.736 30 10 CJEE C=CCn1nc(-c2ccc(C3CCCCC3)cc2)cc1C=O 213457522 LZSPFGVGOWKZLD-UHFFFAOYSA-N 294.398 4.596 30 10 CJEE C=C(CC)C[C@H](Cc1cc(C)ccc1C)NCCC 229756638 ILWHRBXAQZJQRQ-GOSISDBHSA-N 259.437 4.570 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@@H](CC(C)C)C2)cc1 230779363 AUXJVPARHZLOGZ-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE C=C(CNCCC)CSc1cc(Cl)ccc1Cl 231565141 JILDSQXRGJCXGM-UHFFFAOYSA-N 290.259 4.641 30 10 CJEE CCc1ccc(OCC2(CS)CCCCC2)c(OC)c1 232360862 WHWUYYVTPSOJMN-UHFFFAOYSA-N 294.460 4.517 30 10 CJEE CCCCN(CCCC)CCCCC(C)(C)C#N 232974730 VRELLKAMMUIRJB-UHFFFAOYSA-N 252.446 4.609 30 10 CJEE CCC[C@@H](Nc1cccc(C)c1C#N)c1ccccc1 233297045 XEGGSSDUCLUEID-QGZVFWFLSA-N 264.372 4.820 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(F)c1F)c1cccs1 233359327 KZMWKHGGYCUOAB-NSHDSACASA-N 292.354 4.851 30 10 CJEE CC[C@H](C)CSc1ccc(C#N)c2ccccc12 234033305 QEWBKJIQMVXJTQ-LBPRGKRZSA-N 255.386 4.850 30 10 CJEE C=CCCCCC[C@H](O)c1scc(C)c1Cl 235795281 ZLOTWODABWLWJK-NSHDSACASA-N 258.814 4.880 30 10 CJEE C=CCCCCC[C@H](O)Cc1ccc(C(F)(F)F)cc1 236535349 RSKIDJRIFTXQHY-HNNXBMFYSA-N 286.337 4.745 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@H]1CC(C)C 250812478 HXIYUBYANFZWCH-RBUKOAKNSA-N 296.543 4.691 30 10 CJEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)C[C@H]2CC[C@H]1C2 252824929 STPLBAGJOAQYEG-WBIUFABUSA-N 280.198 4.866 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1C[C@H](C#N)C(C)C 259436002 PSOJAOXOIRWAJK-OAHLLOKOSA-N 257.421 4.939 30 10 CJEE CC(C)(C)CCCOc1cccc(Br)c1C#N 310492953 HRWZCCMLJMFRPO-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CCCCCC1 311345538 RWFKXUOBBAHTLL-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3CCC(F)(F)C3)n2)cc1 312166143 RKWWQHZZNSYLTD-LBPRGKRZSA-N 290.338 4.585 30 10 CJEE CC(C)(C)c1ccc([C@]2(C)CCC[C@@H](CC#N)O2)cc1 312602887 FCVQLKXQCKRQND-WMZOPIPTSA-N 271.404 4.682 30 10 CJEE CCC(=CC(=O)c1cccc(OC(F)(F)F)c1F)CC 313076000 WGWYENZBWOYFKB-UHFFFAOYSA-N 290.256 4.653 30 10 CJEE C=C(CC)CNCc1ccc(F)c(-c2cccs2)c1 313480245 ISUUNKSRYFHHJZ-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CCCc2ccccc21 317192542 KJYDEIQYVYIHBX-SUMDDJOVSA-N 270.416 4.892 30 10 CJEE CCC1CCC(C2(C=O)CCC(C)(C)CC2)CC1 318921253 NGBQEHQIGZIROI-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2c(Cl)cccc2Cl)O1 383787180 QJHFNQRWSQELPU-DGCLKSJQSA-N 270.159 4.517 30 10 CJEE C=CCCCCCCNc1cc(F)c(Cl)cc1N 385295648 XXNYAUZRRRORMZ-UHFFFAOYSA-N 270.779 4.610 30 10 CJEE CCC[C@@H](CS)CN(Cc1ccccc1)[C@@H](C)C1CC1 385685485 BOFQWCUZXSQEFI-DOTOQJQBSA-N 291.504 4.633 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H](OCC)C12CCCCC2 386312026 CZLWCODSTVAJTO-MSOLQXFVSA-N 293.495 4.840 30 10 CJEE Fc1cc(Cl)ccc1OC[C@H](CS)c1ccccc1 388306847 BOMKNMQJSNCRBJ-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE CCCCCCCC[C@H](COCC1CC1)NCCC 395549207 CSXAYYXIPIIGBY-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1CCCOc2c(C)cccc21 398063349 IHTZJCJIOQDVAQ-NVXWUHKLSA-N 273.420 4.543 30 10 CJEE C=C[C@H](C)ON[C@@H](CC)c1ccc(Cl)c(Cl)c1 400930051 NNUOPFCNRYJOIK-ZANVPECISA-N 274.191 4.540 30 10 CJEE C=CCCCC(=O)Nc1cccc(C(F)F)c1Cl 544470153 APYQIGVQGBVNNG-UHFFFAOYSA-N 273.710 4.572 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)cc(F)c1 686691327 JJBZZRHILUOHPK-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CC(C)c1ccccc1N=C1NC2(CCCC2)CCS1 687323230 DWAYQJZJAVYZHJ-UHFFFAOYSA-N 288.460 4.837 30 10 CJEE 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CCCCCCCOC1(CNC(C)C)CCCCC1 110067962 YKUJIZQODWYWDV-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccccn1 110462809 GJJSDIOIEMQANF-INIZCTEOSA-N 262.441 4.873 30 10 CJEE CCCCCCCCCN1CCC[C@H](CNCC(C)C)C1 111610813 AVUWTMFAFHXLCI-LJQANCHMSA-N 296.543 4.695 30 10 CJEE CC1CCC(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 113049592 BBHFMPPSZKAAFX-UHFFFAOYSA-N 296.336 4.815 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc([N+](=O)[O-])cc1 115862158 QHANQGLGBHHWDZ-QGZVFWFLSA-N 293.407 4.639 30 10 CJEE CCCCCCCCCCCCO[C@H]1CC[C@H](N)C1 118679177 XXWDWOUNDCRSID-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CSCCS1 125186763 KJVJZHRLYSYIOG-GJZGRUSLSA-N 289.554 4.564 30 10 CJEE CCCCCCCCCCn1c(N)nc2ccc(F)cc21 129442481 QIDBZOIKDKOPPN-UHFFFAOYSA-N 291.414 4.898 30 10 CJEE CC(C)(C)C1CCC(CNc2ccccc2C#N)CC1 129787406 VEFIYIBERVZACU-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1cc(Cl)ccc1C 131375028 KFAIRBJGGLALOG-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)COC 132280684 XOGMKWHTJVJZSP-SJORKVTESA-N 272.473 4.941 30 10 CJEE CC(C)(C)OCCC1(C#N)CCC(C(C)(C)C)CC1 133662408 LBVMNUGIHJILMV-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE CCOc1cccc(Nc2cccc(SCC)c2C#N)c1 136642185 HLVHQHUEVRVZTG-UHFFFAOYSA-N 298.411 4.813 30 10 CJEE Cc1ccccc1N(C)c1ccc(C(F)(F)F)c(C#N)c1 164455448 ASIRBNXKEPKWHT-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CC(C)=CCC/C(C)=C/CB1OC(C)(C)C(C)(C)O1 200985834 ORYGVSJUFVNSST-SDNWHVSQSA-N 264.218 4.771 30 10 CJEE CCCC[C@H](CC)COc1ccc(/C(CC)=N/O)cc1 215134259 PZHUJIXXSRGRRY-YWMAMYRUSA-N 277.408 4.870 30 10 CJEE Cc1ccc(Cl)c(N[C@H](C)c2ccc(C#N)cc2)c1 226061357 PGDRSUSPVGNYQJ-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCCCC[C@H](O)C1(O)CCC(C)CC1 232917191 YJEUOPYKPHGUED-ADKAHSJRSA-N 284.484 4.819 30 10 CJEE CCCCCCCCCC[C@H](O)C1(O)CCCCC1 232917279 ZHBGMZNYVFSOEK-INIZCTEOSA-N 270.457 4.573 30 10 CJEE CCCCCCCCC[C@H](C#N)NC1CCCCC1 232929530 GOVPUWGZXLDVAN-QGZVFWFLSA-N 264.457 4.942 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@@H]1SCC 232935799 CPBNMWQXYBZQSQ-CABCVRRESA-N 257.487 4.611 30 10 CJEE O=C(Cc1csc2ccccc12)C1=CCCCC1 236389358 CBISXSWVRWSPIZ-UHFFFAOYSA-N 256.370 4.513 30 10 CJEE CCn1cc([C@H](C)CC#N)c2c(C(F)(F)F)cccc21 259900497 BEEQSKDHBWZUEN-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1SC 300681688 WYMUSQZBZNSOCK-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(F)c1 307909952 UNDKYFKKEAUDHM-GDBMZVCRSA-N 274.383 4.714 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCc3sc(Cl)cc32)c1 308109234 KZBMFFVBIALDTQ-CYBMUJFWSA-N 288.803 4.681 30 10 CJEE SCCCCSc1cc(Cl)cc(Cl)c1 308504303 YCSDPTWTVVCZFR-UHFFFAOYSA-N 267.246 4.796 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1F 311341993 PVIHMKMUHGUCHT-AWEZNQCLSA-N 281.802 4.569 30 10 CJEE C=CCCCCn1c(S)nc2cc(C(F)F)ccc21 311565980 AWQNXVHEANVPSJ-UHFFFAOYSA-N 282.359 4.619 30 10 CJEE C[C@@H]1CCC[C@H](C[C@@]2(C#N)CCc3ccccc32)C1 311979119 QLPRTAIBNRUFSF-RVKKMQEKSA-N 253.389 4.611 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(CCC)cc1 312019409 KSZUJSTWKMGMEE-HNNXBMFYSA-N 259.437 4.892 30 10 CJEE Cc1ccc(Br)cc1C[C@@]1(C#N)CC[C@@H](C)C1 314662869 UOKKYIYENIZKAF-IAQYHMDHSA-N 292.220 4.630 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H](C)c2ccccc2)C1 316765198 DCVASDIUAGGHPG-LZLYRXPVSA-N 258.405 4.966 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2CCCc3ccccc32)C1 317424236 ONDXWIJYQHUIHW-SUMDDJOVSA-N 270.416 4.892 30 10 CJEE CCC1CCC(C=O)(Cc2cc(F)ccc2Cl)CC1 317826689 FSAXXYLSAKEYBC-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCC1CCC([C@@]2(C#N)CCc3ccccc3C2)CC1 380039399 YHCVVFWOYCRXRA-PPSBMQLTSA-N 267.416 4.902 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2cc(C)nc3ccccc23)C1 380597454 MSAYOJQNEBYONL-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE CCCC1CCC(C#N)(C[C@H](OC)C(C)C)CC1 380939485 LKKCVHSSHNMKPB-PCKAHOCUSA-N 251.414 4.548 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCCCC#N 385392848 SXWKGZARLLYRQR-PMPSAXMXSA-N 251.414 4.548 30 10 CJEE CCCCCCCC/N=C1/N[C@H](C2CCCC2)CS1 386374359 QMNRBYDEONFLSI-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE Cc1ccc([C@H](C)N(C)[C@H]2CCCCC[C@@H]2C#N)s1 387462655 XFAVDHAHEQYCAR-ZNMIVQPWSA-N 276.449 4.522 30 10 CJEE C=CC[C@H](CC)N[C@H]1CCCc2sc(Cl)cc21 393807630 QBBUVAWQVOILIL-JQWIXIFHSA-N 269.841 4.723 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C1CC(C)(C)C1 395444716 DRYIDZIKGXMVMF-INIZCTEOSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCC[C@@H](CCC1CC1)NN 395470255 BCJGWVIFEPEZSY-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCC[C@@H](C)NCc1cnc(C)cc1C 397497845 PIGKTKNNSMMAOG-OAHLLOKOSA-N 262.441 4.537 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1ccc(Cl)cc1 410354427 WGFQGJKGGLZICV-UHFFFAOYSA-N 299.801 4.640 30 10 CJEE N#Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl 514259278 KHYNAELIWUXYCD-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE N#Cc1cc(F)ccc1-c1ccc(Cl)cc1Cl 514261021 HHBMPLMYMBSZAU-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C#CCCCCCCC[C@@H](NCC)c1ccccc1 686691371 KNZUOFFZMHKWQY-GOSISDBHSA-N 257.421 4.701 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CCC[C@@H](C)C1 686695390 LBQYCMPUVIAQAQ-SJLPKXTDSA-N 261.453 4.519 30 10 CJEE C#CCCCCCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 686701495 LKLJHKFAOQKLFB-XYCLOBBJSA-N 272.432 4.746 30 10 CJEE C=CCCC[C@H](NCC)C(CC)(CC)C(F)(F)F 690217626 QGJLDVPGHWSUAZ-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE CC(C)[C@H]1CCCCC[C@@H]1Nc1cccc(C#N)c1 691050784 XKUZNLCVXXDCFE-SJORKVTESA-N 256.393 4.575 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1csc(C(C)(C)C)n1 692239713 NCXQEZWTZNZRTG-UKRRQHHQSA-N 292.492 4.665 30 10 CJEE CCCCCCCCCNCCC1SCCS1 693781110 FLBDHWZYXGKTIO-UHFFFAOYSA-N 275.527 4.523 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@]1(C)CCNC1 696473105 OCTIDZHUAIAWKZ-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1nc2ccccc2s1 701884660 YERCCNJTGBHEBY-LBPRGKRZSA-N 274.433 4.549 30 10 CJEE C#C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)C(C)(C)C 702250391 HKOLSLDTFRPYTR-IRXDYDNUSA-N 271.448 4.801 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@H](CC)C2)C1 703249947 JAWZEPPLMQHBCG-BSDSXHPESA-N 276.468 4.607 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(OC(F)F)cc1 704951024 KCNIGRUQBRAPMP-KCPJHIHWSA-N 279.330 4.721 30 10 CJEE CCCCCCCCCCCCN(CC)[C@H](C)C(=O)O 707973717 YXRLWPZTHGBAIO-MRXNPFEDSA-N 285.472 4.702 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C#N)COc2ccccc2C1 709236980 QGODOSSDMPGISI-KDOFPFPSSA-N 271.404 4.594 30 10 CJEE C=C(Cl)C[C@@H]1CCCCC[C@@H]1CNC(C)(C)C 710617460 CKZXQEHRICGRND-UONOGXRCSA-N 257.849 4.714 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H](C2CCCC2)C2CCC2)N1 711843247 QIGAEKSCLUVDHM-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714263054 VLEANSCACFDAKC-XYJFISCASA-N 268.404 4.638 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSCC(C)(C)C(C)C 718870590 SPNNTOSGTZVVPD-QGZVFWFLSA-N 298.540 4.852 30 10 CJEE CCCCCCC[C@H](C[C@@H](COC)C(C)C)NCC 721723589 GPSUFEJBZUGHDM-DLBZAZTESA-N 271.489 4.634 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@]2(C)CCCS2)CC1 724546308 YGNSVNBCFWSPEZ-DLBZAZTESA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H](OC)C(C)(C)C)CC1 724571820 VSTYGDUSUZWALN-IRXDYDNUSA-N 281.484 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)OCC1CCC(C(F)(F)F)CC1 770420342 ZZNAFPPSDPWMOA-HIFPTAJRSA-N 292.341 4.501 30 10 CJEE C=CCCC[C@@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 773872580 RIKNBRNYXMPUOT-CYBMUJFWSA-N 299.370 4.552 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 803369508 WLVSNFDARSVNFV-ZWKOTPCHSA-N 291.394 4.547 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(CCCC)cc1 1124429194 OZSQMMCPCMULQW-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CCC1(C(=O)Nc2cc(Cl)ccc2O)CCCCC1 1151752920 HWMPDELYBZJRMV-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C=CCn1c(SCC2CCCCC2)nc2ccccc21 1164498664 ZNKRROKTAYOGCI-UHFFFAOYSA-N 286.444 4.895 30 10 CJEE C=CCn1c(C)cc(C(=O)CSC(C)(C)C(C)C)c1C 1189126972 BWGKXPQDGUNKIS-UHFFFAOYSA-N 293.476 4.641 30 10 CJEE C=C(C)CCNC(=O)Nc1c(CC)ccc(Cl)c1CC 1197113748 ZSFIPECDJWUYLI-UHFFFAOYSA-N 294.826 4.553 30 10 CJEE C=CC[C@H]1CCCN(C/C=C/c2c(C)cc(C)cc2C)C1 1206597878 LLJWWDSIPWZQSY-VQFGERMISA-N 283.459 4.913 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2cscc2C)c1 1220334643 DHVLOSKJVOHRCH-UHFFFAOYSA-N 272.373 4.734 30 10 CJEE C#CCCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 1264260774 RQTINARRDRJCAC-HXUWFJFHSA-N 299.458 4.817 30 10 CJEE C=CCC[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 1266421498 OHIUMVRGIFITHU-KRWDZBQOSA-N 299.801 4.777 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@H](CCC)CCCC)C1 1308309688 RZKNBEDPQSXOEP-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H]1C[C@H]1c1ccccc1 1308614361 ZMYJGYRVYGQMIR-OALUTQOASA-N 295.401 4.617 30 10 CJEE C=CCCC[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1 1460710370 OSGGFHIVTXRVFL-SLFFLAALSA-N 299.458 4.631 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc2nc(O)oc2c1 1473684772 KBZYCXZKBHKHFZ-ZDUSSCGKSA-N 290.407 4.545 30 10 CJEE C=CCCc1ccccc1NCc1cc(C)ccc1OC 1474124095 PSMUGVBHTSUKKO-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H](C)c1ccccc1 1474365717 BOZSQKDXGOITOR-MRXNPFEDSA-N 283.390 4.617 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(C)CC(C)C 1523895628 NGQZFMKUSYYIKT-UHFFFAOYSA-N 273.420 4.816 30 10 CJEE C=CC1(CC(=O)N(CC)c2cccc(F)c2)CCCCC1 1527714877 LAEFOFDLXYKVDX-UHFFFAOYSA-N 289.394 4.705 30 10 CJEE C=CCC1(C(=O)NC2CCC3(CCCCC3)CC2)CCC1 1538638682 YKJDKZZDOFCQTL-UHFFFAOYSA-N 289.463 4.742 30 10 CJEE C#CCN(CCC1CCCCC1)[C@@H]1CCc2ccccc21 1560701250 HAIJRLMSLQHVEJ-HXUWFJFHSA-N 281.443 4.580 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCc2cccc(C(C)C)c21 1583987001 WOUMQBUUDHPPQN-UHFFFAOYSA-N 285.431 4.692 30 10 CJEE Fc1ccc(F)c(C#Cc2ccc(Cl)c(Cl)c2)c1 1614730873 JUWYHIQVMNCIBN-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](C)[C@@H](C)CCCC)cc21 1621546002 NYMGPPJTSDSWIJ-GJZGRUSLSA-N 285.435 4.849 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(SC(F)(F)F)c1 1623824426 JUQNZLYVWHXINR-UHFFFAOYSA-N 289.322 4.593 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](CC)c1ccc(Cl)cc1 1654303967 KBBOTDXUIDMPPY-BBWFWOEESA-N 275.823 4.974 30 10 CJEE C=CC[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccncc1 1656516533 JMRZMDAWBJIFKH-RDJZCZTQSA-N 272.436 4.505 30 10 CJEE C#CC[C@@H](NC[C@H](C)CC1CCCCC1)c1ccccc1 1656939869 GDNJGWCZSMNUHL-YLJYHZDGSA-N 283.459 4.947 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCc2cc(F)c(F)c(F)c21 1659227915 UUCAVCQACXSKGI-OCCSQVGLSA-N 297.364 4.816 30 10 CJEE C=CCCC[C@@H](NC(=O)OCCC(C)C)c1ccccc1 1671198903 IBZBYZISHNLMSF-QGZVFWFLSA-N 289.419 4.856 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2CCCCCCC2)c1 1674974797 BIDVCEADKLVQJH-UHFFFAOYSA-N 286.419 4.954 30 10 CJEE C=CCCCCCCCCNC(=O)N1[C@H](C)CC[C@H]1CC 1683043176 QXDVURQEBQZPAL-IAGOWNOFSA-N 294.483 4.876 30 10 CJEE C#CCSc1nc(-c2ccc3ccccc3c2)cs1 1860800445 VNDGLYOIXOKNGK-UHFFFAOYSA-N 281.405 4.689 30 10 CJEE C=C(C)Cn1c(-c2ccc(Cl)s2)nc2ccccc21 1873515396 NCDURSNNYIPNJB-UHFFFAOYSA-N 288.803 4.994 30 10 CJEE Cc1ccc(N[C@@]2(C)CCCC(C)(C)C2)c(C#N)c1 1877813291 HWAFPQGNZNABJD-KRWDZBQOSA-N 256.393 4.638 30 10 CJEE CCCC1CCC(CN[C@@H](C)CC(C)(C)C#N)CC1 1878050620 NKHBEAROBIOLHP-FHERZECASA-N 264.457 4.511 30 10 CJEE CC#CCCC[C@]1(CNCC(C)C)CCC[C@H](C)C1 1879645136 UKMGSJPHJWYRAD-ROUUACIJSA-N 263.469 4.622 30 10 CJEE C=CCN([C@@H](c1ccccc1)C(F)(F)F)C(C)(C)C 1884115100 ZLWAQXAEOXHUJK-ZDUSSCGKSA-N 271.326 4.577 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc3sccc3c2)C1 1884689161 OAYHONFZZSOGGM-CQSZACIVSA-N 271.429 4.689 30 10 CJEE CC#CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN 1885236223 JLBHRYVULLGOML-IXDOHACOSA-N 263.469 4.607 30 10 CJEE CC#CCCCC[C@H](NCC)C1(C(C)(C)C)CCC1 1885237467 POMFSJQNVIZODC-INIZCTEOSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@](O)(CC)c1ccc(CC)cc1 1886400077 AJHVIJPYFFKDOX-GOSISDBHSA-N 260.421 4.983 30 10 CJEE C#CC[C@H](C[C@@H](NCC)c1scc(C)c1Cl)C1CC1 1887490507 VAOURXAQLSVIPF-ZIAGYGMSSA-N 295.879 4.800 30 10 CJEE C=C(c1ccccc1)[C@H](O)Cc1c(Cl)cccc1Cl 1888701841 RKYBKZJAEITJST-MRXNPFEDSA-N 293.193 4.610 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CC[C@H]1C(C)(C)C 1892135289 XUNUQCFVSIBIOM-ZWKOTPCHSA-N 271.448 4.747 30 10 CJEE C=CCC(C#Cc1ccccc1Br)CC=C 1900985224 JCDPWUGTHSECKB-UHFFFAOYSA-N 275.189 4.569 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1sccc1Cl 1903144159 LNHVNUBHNXBXDK-OLZOCXBDSA-N 257.830 4.654 30 10 CJEE CCC=CC(=O)c1cccc(Cl)c1C(F)(F)F 1911685408 BIXIAPRVUVYHRQ-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE CCCCCC[C@@H](C)N=C1N[C@H](CC(C)(C)C)CS1 1912117910 UGXCMMRLQUEPOE-ZIAGYGMSSA-N 284.513 4.843 30 10 CJEE C=CCCCCCC1(C(=O)O)CC2(CCCCC2)C1 1912719809 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C=CCC[C@H](C)[C@](C)(CCCC(C)C)OCCC(=O)O 2360236349 NSKVRZNJJRVNPB-RDJZCZTQSA-N 284.440 4.665 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H](C)CC1CC1 2360322596 FSILZYCXLPBJKH-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)S[C@H]1CCC(C)(C)[C@@](C#N)(NC(C)C)C1 2360331541 UZFZHAZUBBNAGP-YQQAZPJKSA-N 294.508 4.523 30 10 CJEE C[C@@H](C[C@@H](C#N)Nc1cccc(Cl)c1)c1ccccc1 43535240 HNONZTQSXVJDMJ-GUYCJALGSA-N 284.790 4.838 30 10 CJEE Cc1ccsc1[C@@H](C)Nc1cc(Cl)ccc1C#N 70090507 OLFBLEBCBSIWSQ-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCCCCCC(=O)c1ncc[nH]1 78129851 HZJMZVFLSFPTAK-UHFFFAOYSA-N 250.386 4.513 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc3ccccc23)C1 87322395 IMGDZRWBFNMVJI-UHFFFAOYSA-N 250.341 4.612 30 10 CJEE Cc1cc(C)cc(C[C@@]2(C#N)CCc3ccccc3C2)c1 87998384 JBPZACIQEVLCLZ-FQEVSTJZSA-N 275.395 4.545 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)[C@H](C)c2ccccc2)CC1 91884776 KABBADNSZWVFQY-JCJXWUGKSA-N 285.431 4.507 30 10 CJEE CCC(CC)(CS)CO[C@H](C)c1ccccc1 94583684 OAIPCOYKYQMLQU-CYBMUJFWSA-N 252.423 4.500 30 10 CJEE Fc1ccccc1OCCCCCCCCCS 97799653 YVXWTBVHTXKKLY-UHFFFAOYSA-N 270.413 4.865 30 10 CJEE CCC#CC[C@@H](C)c1ccc(CC)c(Br)c1 107478224 FYHLLXHLVXOVRO-GFCCVEGCSA-N 279.221 4.919 30 10 CJEE CCC#CC[C@H](C)c1cc(Cl)c(C)cc1OC 107620070 KDYANYWAXLOOSR-NSHDSACASA-N 250.769 4.564 30 10 CJEE CCCCCCCCCN1CCC[C@](CCC)(C(=O)O)C1 109204422 PCUVKXIHXUEZQB-SFHVURJKSA-N 297.483 4.704 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)cc(C)c1 109362738 HBNDUTIDLCFEGP-UHFFFAOYSA-N 261.409 4.993 30 10 CJEE CCCCCCCCOc1ccc(C)cc1C[C@H](C)N 109766396 MGPRWMVOKZXEGQ-INIZCTEOSA-N 277.452 4.624 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)s1)[C@@H](C)N 109988740 UQJMDJSMKFLOHL-ZBFHGGJFSA-N 283.481 4.822 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]([C@@H](C)NCC)C1 111706583 XWTBKTCITSJQGO-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCCCC(=O)c1ccncn1 112184488 DTHFDRYNIKUUGC-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE CCCCCCCCNc1c(C)ccnc1Cl 115103847 NIUSFLPCDLGORT-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CC[C@@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 122254148 PYYRWHHKUMBNTE-CYBMUJFWSA-N 285.218 4.584 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)c1cccnc1 125421739 HHYCTVFSXWUDGL-GOSISDBHSA-N 291.483 4.897 30 10 CJEE Cc1ccc(COc2c(C#N)oc3ccccc23)cc1C 126045625 UVZIEMSMANTXBL-UHFFFAOYSA-N 277.323 4.500 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)CC1 126304426 HNICVTMKWOCPPX-BBRMVZONSA-N 274.383 4.858 30 10 CJEE CCCCCCCC[C@@H](NN)C1CCC(CC)CC1 126728704 JARVBCUQMLMMQI-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cccc(SC)c2C#N)C1 127072484 PKMMFAFJNKRYCD-QWHCGFSZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCNc1ccc(C#N)nc1 129257229 QJFVWZPORSEIGR-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE CCCCCCCCCCNc1cc(CCC)ncn1 129412419 WAUDUEXMKNPIHG-UHFFFAOYSA-N 277.456 4.982 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H](C)CC)NN 131279176 KGAMSBUJKVYODW-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE Cc1c(Cl)cccc1Nc1c(F)cc(C#N)cc1F 133932651 YCAWIGMIVQNYMZ-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cccnc1C 139398476 HWGVLWLRIIWGEX-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(C)nn1CC 139489591 YGLGCELZUOFSQV-INIZCTEOSA-N 279.472 4.613 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2cc(C)cc(C)c2)CC1 148730891 LDJNBDGAWGJHJQ-CUYAVPTFSA-N 285.431 4.621 30 10 CJEE CCCCCC(C)(C)CNCc1ccc(C#N)cc1Cl 162771095 RSHDRFWRRCZBKI-UHFFFAOYSA-N 292.854 4.908 30 10 CJEE Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)c2)cc1 164490758 JOVZMPQLJHMHII-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE C=C(C)CC[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164495578 LEAOARKMGZBXJQ-NNCLKIPCSA-N 262.437 4.700 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCOC2(CCCC2)C1 169096129 XNVQUVPAVMOLMK-OAHLLOKOSA-N 266.425 4.655 30 10 CJEE CCSc1ccc(C(=O)/C=C\c2ccccc2)cc1 205209997 SKUFUGMSHZOBEQ-JYRVWZFOSA-N 268.381 4.695 30 10 CJEE SCCCCCCCCCN1CCC[C@@H]2CCC[C@@H]21 217861731 ILFPKEYREKLKKY-IRXDYDNUSA-N 283.525 4.911 30 10 CJEE CCCCCCCCCCC(=O)c1csc([C@@H](C)N)n1 226574267 ZRMYQGBQJDCNTF-CYBMUJFWSA-N 296.480 4.876 30 10 CJEE C=CCC[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 228820019 NRCQSVAQGMTOAP-SWLSCSKDSA-N 251.801 4.735 30 10 CJEE C#C[C@@H](CCC)N[C@H](CC)c1ccc(Cl)c(Cl)c1 229925318 YCFPRRROONHFSH-SWLSCSKDSA-N 284.230 4.836 30 10 CJEE CCCCCCCCN(C)c1cc(Cl)ccc1N 231098701 ONJFRBAAWQONQH-UHFFFAOYSA-N 268.832 4.719 30 10 CJEE CCCCCCCCN[C@H]1CC[C@@H](SCC)C1 232939643 CCCGDTCRGBSBNF-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCC[C@H](C)COc1ccc(C#N)c2ccccc12 233328899 MEKMUTARAHXQLE-ZDUSSCGKSA-N 253.345 4.526 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 250577138 SQQKYWBBYQMSEW-OKZBNKHCSA-N 265.485 4.887 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 253049640 SUYNCLZMMMGVFU-HAGHYFMRSA-N 283.459 4.687 30 10 CJEE C[C@@H](C#N)c1ccc2ccn(C3CCCCC3)c2c1 259916656 CTGFMUCAEUIQER-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CCCCCCCC[C@H](NC)c1sccc1F 310406105 LRPDFUDIIOBQKW-ZDUSSCGKSA-N 257.418 4.898 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(F)ccc1Cl 311131024 WOKVEQDOLXHVHH-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE N#CC1([C@]2(O)CCCC23CCCCC3)CCCCCC1 312980987 BBRPBVSFEKUSAX-SFHVURJKSA-N 275.436 4.716 30 10 CJEE CCCCCCCCCCCCN[C@H]1COCC1(C)C 313073294 YMGDFBOCJCXJFA-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(C(C)C)cc2)C1 316899395 XLCPJBKINYMRTE-YJBOKZPZSA-N 258.405 4.748 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(Cl)c(F)c2)CC1 317127591 HWYACRZHCDIPFQ-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CC(C)CNCc1ccc(SCC#CC(C)(C)C)cc1 379909861 PKTQKYHNXPSTNK-UHFFFAOYSA-N 289.488 4.574 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc2c(n1)CCC2 380740703 UDXQBGFQNMTLPA-QGZVFWFLSA-N 274.452 4.581 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)c1ccc(C(F)(F)F)cc1 385001897 MBGULOWVDJOPCE-RISCZKNCSA-N 267.294 4.677 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)C(CCC)CCC 387518108 HDKLZJDWFKHRBF-QGZVFWFLSA-N 269.473 4.552 30 10 CJEE CC[C@](C#N)(Nc1cccc(Cl)c1)C1CCCC1 387520898 HTROAASVWIJJAG-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C=CC[C@H](CC)N[C@@H]1c2ccccc2CCC1(C)C 393768393 FQYUCYSVBKNAQF-DOTOQJQBSA-N 257.421 4.644 30 10 CJEE N#CC1(CNc2cc(Cl)c(F)c(Cl)c2)CCCC1 405165210 SORSBGJIPOQZIK-UHFFFAOYSA-N 287.165 4.628 30 10 CJEE OCCCCCC#Cc1ccc(C2CCCCC2)cc1 686291515 YQCUAPZQUIFAMN-UHFFFAOYSA-N 270.416 4.639 30 10 CJEE CCCCCCCCCCNC1(CCO)CCCCC1 687286898 WTVJAAGJROSATB-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@]1(C)CCOC1 687395902 WOWSCUNMFDNDOH-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC(=O)c1cc2c(s1)CCNC2 688022318 ABDIFWUGUZHUTQ-UHFFFAOYSA-N 293.476 4.717 30 10 CJEE CC[C@H](C)[C@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316526 UMVJFZQCRFMBEJ-BBRMVZONSA-N 265.441 4.530 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(Br)cc1 688554875 YGRCQPNXFYRPCM-UHFFFAOYSA-N 279.177 4.522 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@@H]1CCCO1 689834227 XPSWLBJLGHNPPJ-SJORKVTESA-N 269.473 4.674 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)C[C@H](CS)c1ccccc1 691139270 FKKDECGVBGJULI-NXHRZFHOSA-N 291.504 4.601 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1C(C)C 692240733 DIVHCXSXGWTJQH-STQMWFEESA-N 293.842 4.800 30 10 CJEE CCCCCCCCCNC[C@H](C)C(F)(F)F 697719856 HIOARJVXZJBHNQ-LBPRGKRZSA-N 253.352 4.525 30 10 CJEE CCCCCCCCCCCCNCC[C@H](C)N(C)C 697934437 FKUCWRIQJGTYJK-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698450759 CGMFTPIGLQQXJK-RHSMWYFYSA-N 296.455 4.885 30 10 CJEE CCCCCCC[C@@H](O)c1cc2ccccc2cc1N 702384929 WYJRBVROICRUTR-GOSISDBHSA-N 271.404 4.816 30 10 CJEE CC(C)(C)[C@@H]1C[C@@H]1COCC1(CS)CCCCC1 703623961 RUOUCKZQHCTXTC-ZIAGYGMSSA-N 270.482 4.566 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CC2(c3ccccc3)CC2)C1 704045110 YQOATIHFLUNBBC-WBVHZDCISA-N 253.389 4.828 30 10 CJEE C=C(Cl)CC(=O)[C@H](c1ccccc1)[C@H](C)CC 710602802 VSEOABPGQXGXSV-ABAIWWIYSA-N 250.769 4.528 30 10 CJEE CCCCCCC[C@H](C[C@H](CC)C(C)(C)C)NN 711098976 VZTLBQATXSYMBO-LSDHHAIUSA-N 256.478 4.641 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCC2(C1)OCCO2 712822723 KDGNQJTZETXNKQ-KRWDZBQOSA-N 298.467 4.565 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(C#N)c1 714262348 QNXLEJWJTDFGOU-QILLFSRXSA-N 268.404 4.638 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2CCCC[C@@H]21 714286410 LCIOELMQNLIKMW-DVOMOZLQSA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(C(F)(F)F)c1 715718166 FSVCQNLBWZCLFD-FZMZJTMJSA-N 271.326 4.568 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1Cl 715767923 FYLJYVIGAJEANB-XJKSGUPXSA-N 265.828 4.901 30 10 CJEE C=CC[C@@H](C)[C@H](CSC1CCCCC1)NCCC 715795842 CYWNIJSALBDACK-ZBFHGGJFSA-N 269.498 4.633 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc2ccccc2o1 715812374 KQUKVRSEDKJJSC-CXAGYDPISA-N 257.377 4.686 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1/N=C1/NC2(CCCCC2)CS1 717524484 KXAKDMOSDOSCNJ-ZIAGYGMSSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@]1(C(=O)O)C[C@H](C)O[C@H](C)C1 724284909 ALAHAZKIVSPYKV-QLPKVWCKSA-N 284.440 4.786 30 10 CJEE C=C1CCC(CNc2cc(C)cc(Br)c2)CC1 724550929 ZNEZCHKERCGCJB-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE CC(CCc1ccccc1F)=NNc1cccc(F)c1F 743443088 PYOGQMWPNOVHEX-UHFFFAOYSA-N 292.304 4.525 30 10 CJEE C=CC[C@@H](C)NC(CCC(F)(F)F)CCC(F)(F)F 925430284 LJNXOPARNDUYRO-SECBINFHSA-N 291.279 4.594 30 10 CJEE C=CCCC[C@H](C)NC(=O)C1CCC(CCCC)CC1 1127519936 PCOKNAQFUFXKPD-GTPINHCMSA-N 279.468 4.844 30 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C=CCCCCCCC[C@H](NC)[C@H](O)[C@@H](C)CC(C)C 2235521642 LBCXWDXTBDWVOU-OKZBNKHCSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCOc1cc(C)ccc1[C@@H](C)O 2235534785 JVCZWBJNSNFOEZ-MRXNPFEDSA-N 276.420 4.954 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)CCO[C@H](C)C1 2240115353 AVSDIGCVQMJRLB-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(C3CC3)cc2)C1 2240376351 ZAIPJENLJPDFMX-MRXNPFEDSA-N 269.432 4.742 30 10 CJEE C=CC1(CC(=O)[C@](C)(O)CCCCCCCC)CCC1 2240637045 DVXDVQAVMYTWLC-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE CCCCCCCC[C@H](C)NC1C[C@H](C)N(C)[C@@H](C)C1 2240653617 IVWPHOMOXZXXKW-ULQDDVLXSA-N 282.516 4.586 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CC(C)(C)CC)NC 2240667129 STKHEBWZSGQQDL-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE O=CC1(Cc2coc3ccccc23)CCCCCCC1 2241181944 OCZTZFVUNXSDAY-UHFFFAOYSA-N 270.372 4.905 30 10 CJEE CC(C)N(CCCCCCCS)Cc1ccccc1 2242390428 NOHCUKSFKSETLE-UHFFFAOYSA-N 279.493 4.777 30 10 CJEE CCC(F)(F)CCSc1cc(Cl)ccc1C#N 2248280536 XWNNRKXNTGWNDI-UHFFFAOYSA-N 275.751 4.739 30 10 CJEE C[C@H]1C[C@@H]1CCCCCC1(C#N)CCSCC1 2248875177 YZLBWAXLHMWFAN-KBPBESRZSA-N 251.439 4.630 30 10 CJEE CC1CCC(C=O)(CCCCC[C@@H]2C[C@H]2C)CC1 2257293615 RBIQGOIOWIZPLW-JCCCHCCOSA-N 250.426 4.988 30 10 CJEE C#C[C@H](c1c(Cl)cccc1Cl)N1CCCCCC1 2258109026 CCFPPJNNOLUYKG-CQSZACIVSA-N 282.214 4.544 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CCCSCC1 2259192311 DVPIQHVIRFHLAX-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C 2259236523 CYPLYFJLYAKQCA-IKGGRYGDSA-N 252.442 4.946 30 10 CJEE C=CCCCCCCCCN[C@@H]1CCC[C@@H]1CF 2260468926 ISKJBHWOMOYLSK-HZPDHXFCSA-N 255.421 4.631 30 10 CJEE C=CCCCC[C@@H](CCC1CC(C)C1)NCCC 2261495615 PJHOMDNPBARNCX-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C(F)(F)F)s1 2263441609 VVUVPRQXGOKIRH-SNVBAGLBSA-N 277.355 4.903 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@]1(N)C(F)(F)F 2263669879 KWXDBPGXGHCANJ-QWHCGFSZSA-N 265.363 4.797 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2265002058 YMHRZMBSTBYUJJ-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCCCCCS 2265580338 WVZWHYJZSPKWSW-IKGGRYGDSA-N 283.525 4.910 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1OC 2267959701 YNLWZIQBWAXNHF-DOMZBBRYSA-N 281.827 4.602 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@]1(C)COC 2269251644 FBDPVEKWUNDTGN-IXDOHACOSA-N 269.473 4.517 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](C)[C@H](C)CS1 2272260184 IOOBUKYGCWCYHU-RRFJBIMHSA-N 284.513 4.556 30 10 CJEE CC[C@H]1CCSC(=NCC[C@H](C)CCCC(C)C)N1 2272261890 XJYBNPPITXKZTB-CABCVRRESA-N 284.513 4.700 30 10 CJEE O=C[C@]1(C[C@]23CCCC[C@H]2CC3)CCCC(F)(F)C1 2273406542 YBTKRXAWMMNHGA-SOUVJXGZSA-N 270.363 4.742 30 10 CJEE CCCC[C@@](C#N)(CC)c1ccnc(C(C)(C)C)c1 2273567364 QTZMWNZYASNTSP-QGZVFWFLSA-N 258.409 4.741 30 10 CJEE CC#CCCCC[C@H](CCC1CC(C)C1)NCCC 2274602469 ALLSHDOJJXFKPI-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1cscc1C 2274974724 MEROWWQLFKMWLH-AWEZNQCLSA-N 284.421 4.559 30 10 CJEE CCCCCCC[C@H](CCC(C)=C(C)C)OCCN 2276600985 KDVQSNXCSTZBSV-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@H]1C[C@@H]1C 2277296962 WFSJEYKRCXDPQU-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE COc1cc(C)c(Cl)cc1C(=O)C1=CC[C@@H](C)CC1 2277994135 ZCBHKWBUFYKGOH-SNVBAGLBSA-N 278.779 4.586 30 10 CJEE CCCCCCC[C@H](O)c1nc(C(F)(F)F)c(C)s1 2278024571 SLHOERJPONLUDF-JTQLQIEISA-N 295.370 4.864 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CCC)COC 2278235144 BMWGXQHUYXGMSQ-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@@H]1CCC1(C)C)NC 2280963687 MZKSHQIAGJUDLO-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE CC(C)(C)C#CC=CCC1(CNC2CC2)CCCCC1 2284076139 MDWXKQLPZRYIIJ-UHFFFAOYSA-N 273.464 4.685 30 10 CJEE CC(C)(C)C#CC=CCc1ccc([C@@H]2CC2(F)F)cc1 2284094735 IZZCRLZJXDPDMQ-INIZCTEOSA-N 274.354 4.957 30 10 CJEE COCc1ccc(Cl)c(NCC=CC#CC(C)(C)C)c1 2285115739 UOGYSRJPYHFFIV-UHFFFAOYSA-N 291.822 4.504 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(C)cc(OC)cc1C 2286461122 GNDKCBRGSPMDCW-QGZVFWFLSA-N 275.436 4.838 30 10 CJEE C#CCCCCC[C@H](NCCC)c1csc(C)c1OC 2287317341 OSYHZVSNKUPUHN-INIZCTEOSA-N 293.476 4.690 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1csc2cncn12 2287409353 SXQMATDMRKQLLO-CQSZACIVSA-N 291.464 4.573 30 10 CJEE C=CCCCCCCCN(C)CC1CC2(CC(F)C2)C1 2287813846 RTRALUSGIGUKTL-UHFFFAOYSA-N 281.459 4.973 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(F)c(Cl)c1 2289697135 CUPLUUOCPUPZLR-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H]1CCCC12CC2 2289716738 XMXLMRYPRNUIMK-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CCC12CCC2 2289717875 YYPADJRAKMOYCY-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)C1(C)CCC1 2290873308 QAOLASUFLUMLCP-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)C=CC[C@@H](C)C1 2292768842 MFQCOHYFKPNAOB-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CC[C@H](C)[C@@H]1C(C)C 2292796598 LRGFTXGPXFJURE-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H]1C1CCC1 2293374627 PRVPOFLJESOLGN-MSOLQXFVSA-N 281.484 4.661 30 10 CJEE Cc1c(C)c(C)c(CC[C@@H]2CCC[C@@H]3O[C@H]23)c(C)c1C 2294679352 ZPZSZRBXYUVMOH-YTQUADARSA-N 272.432 4.729 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 2295674509 RRHFCUUNQNLUGL-JKSUJKDBSA-N 279.472 4.600 30 10 CJEE C=CCC(CC=C)Sc1cc(F)c(Cl)cc1N 2298820709 CNVPMNUSWNMOJB-UHFFFAOYSA-N 271.788 4.674 30 10 CJEE C=CCCCCCCCCCS[C@@H]1CC[C@H]1N 2300301386 XGVPUBLHBFYDGF-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(Cl)c1Cl 2304040497 GTFGVTYZCKLQTG-ZIAGYGMSSA-N 272.219 4.986 30 10 CJEE CCCCCCCCCC[C@]1(N)CC[C@@H]1SC 2307705417 OLNUDPCWCSJQOT-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE C=CCCC[C@@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2311553611 FQMRTVCUOCIJLZ-ZACQAIPSSA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)SCc1ccc(CC#N)cc1 2313666018 QAKITVGXIVDAES-UHFFFAOYSA-N 257.402 4.507 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(CC)s1 2321138761 UINLWFFVMBRTED-HNNXBMFYSA-N 265.466 4.954 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(F)cc(Cl)c1 2321142035 SDZSZSHIDXJGRR-HUUCEWRRSA-N 269.791 4.732 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@H](F)C1 2327433517 FELKVHXFPYHOFF-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2327872358 HTRIJWHHIPVLAA-VXGBXAGGSA-N 284.230 4.754 30 10 CJEE CC(C)CC1CC(C#N)(Sc2cccc(F)c2)C1 2328545152 VKOUJUBDWKEGLR-UHFFFAOYSA-N 263.381 4.636 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC(C)C)cc1 2335233460 YXNQBBUTETXVBK-UHFFFAOYSA-N 275.461 4.798 30 10 CJEE CCCCCCCC[C@@H]1NC[C@@H](C)C[C@@H]1C(F)(F)F 2338014262 ZTURDGCTMDPDFJ-IHRRRGAJSA-N 279.390 4.914 30 10 CJEE C=CCOc1ccccc1[C@@H](O)CCC(CC)CC 2338135550 FMLXTCSIOPALPA-INIZCTEOSA-N 262.393 4.501 30 10 CJEE C=CCC(CC=C)[C@]1(N)CCCCC[C@@H]1C(F)(F)F 2338728550 WGTNBAICVWEIJI-UONOGXRCSA-N 275.358 4.595 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccccc2C2CC2)C1 2341684020 YNYAQWWKANLXMA-KDOFPFPSSA-N 256.389 4.502 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ncc(C(F)F)s1 2343577021 XJZKMXGHYYTXOL-ZYHUDNBSSA-N 288.407 4.724 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(F)cc(C)cc1F 2344340218 PNQLHYVQFOFKLD-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C)(C)CC(F)(F)F)NC 2344354534 ABMBLARKJRVLCS-TZMCWYRMSA-N 279.390 4.936 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(CC[C@H]2CCC(C)(C)C2)C1 2344865123 ZEIIKGYYBVMCNZ-BFYDXBDKSA-N 263.425 4.692 30 10 CJEE C[C@H]1CN(C[C@@](C)(CS)C(C)(C)C)c2ccccc21 2352081005 MQIAWACCIOQQMR-GUYCJALGSA-N 277.477 4.592 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@@H]1CCC2(CCCC2)C1 2353841379 NIGNKUIGTFBSDP-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE C=C1C[C@H]2CC(NCC[C@H]3CCC[C@@H]4C[C@H]34)C[C@@H](C1)C2 2356052007 UABSSGVBLLBARF-DCEJZDRESA-N 273.464 4.537 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H]1OCC[C@H]1C 2358323138 DSYYTNGVXFTAIE-KZNAEPCWSA-N 282.468 4.859 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCc2ccccc2[C@@H]1NCC 2360323912 LUWXTDHKNDMBRO-WBAXXEDZSA-N 289.488 4.740 30 10 CJEE C=CCC(CC=C)Sc1cc(C)cc(F)c1CNCC 2360380497 FBEGDRCZRDXRNI-UHFFFAOYSA-N 293.451 4.857 30 10 CJEE CCCCCCCCOc1ccccc1CNCC 3159291 DQCMJYCTUVOCEU-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE C=C(C)COc1ccccc1C(=O)Nc1cc(C)ccc1C 9877509 LRSBYNPIXVQJNQ-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE Cc1ccsc1[C@@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@H]21 13645659 RJMCDJMKGOJYSD-FRFSOERESA-N 292.407 4.755 30 10 CJEE N#C[C@H]1CCC[C@H]1Nc1cccc(Oc2ccccc2)c1 54826297 QSFOTDBVIGAPHE-RDTXWAMCSA-N 278.355 4.583 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 62793953 OTDPIYDLRAYBGX-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE Cc1cc2oc(CC#N)c(C3CC3)c2c(C)c1Cl 77071650 NNQOPTITTVUZGI-UHFFFAOYSA-N 259.736 4.647 30 10 CJEE Cc1nc(COc2cccc(C(C)C)c2)sc1CS 82419885 YOUSUEZVYWETIH-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE CC[C@H]1CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 83828739 WPNWJCNLOVRKAP-JQWIXIFHSA-N 282.309 4.568 30 10 CJEE C[C@@H](CCS)CCOc1cccc(Cl)c1Cl 87080214 YOZUQUQVIOUAKA-SECBINFHSA-N 279.232 4.718 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCc2ccccc2C1 88034698 CHNGJZRKQMVVAL-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE N#Cc1c(CSc2ccccc2)cc(Cl)nc1Cl 90562691 CQVUMXSJMNIAED-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE CCc1cccc(OCC2(CS)CCCCCC2)c1 94583884 HVQUTIUJVZJKFW-UHFFFAOYSA-N 278.461 4.898 30 10 CJEE Cc1ccc(OC[C@@H](CS)c2ccccc2)c(Cl)c1 94585140 WJDLEMXBPBKLBI-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE CCCCCC(C)(C)CNc1cccc(F)c1C#N 94989172 XNSNRMUHFBXIJW-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CC(C)CC#Cc1ccc(Oc2ccccc2)cc1 95633849 CUUKUJQZHPFHTK-UHFFFAOYSA-N 250.341 4.877 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(Cl)cc1)NCCC 97208470 WGEYTPBNDIEPIC-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc2cc(F)ccc2s1 97284177 BQJDGPBHRBKOLK-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CCCCCCCn1c(CS)nc2cc(C)ccc21 105502138 UNGXZYVXZGQPMD-UHFFFAOYSA-N 276.449 4.745 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(Br)c(C)c1 107608958 IUODQIKLGRAOKJ-DGCLKSJQSA-N 279.221 4.911 30 10 CJEE CCCCCCCO[C@@H](C)[C@H](O)c1ccc(CC)cc1 110022290 GHGAMPCHDQBIMQ-YJBOKZPZSA-N 278.436 4.658 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCCCC1 110258170 YBOPSKNXBVLVQK-LLVKDONJSA-N 296.336 4.958 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)CC(CC)CC)C1 110263986 UWTUGYFYPZIJBA-FGTMMUONSA-N 278.484 4.853 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(F)cc1Cl 110462935 SJKDSGHJJKDUMS-CQSZACIVSA-N 257.780 4.839 30 10 CJEE CCCCCCCCCn1ccnc1-c1ccc(N)cc1 110917292 NXTZZXKMDALEON-UHFFFAOYSA-N 285.435 4.883 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C[C@@H](C)O 123694495 WNXSGOLNBPRZGP-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CC[C@@H]1CCCCCN1CC1(CS)CCCCCC1 126522138 LYCPOKUQJGIWFJ-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE C#CC[C@@H](CC)NC(=O)CCCCCCCCCCC 130848690 VORPRZFZDQOGEZ-QGZVFWFLSA-N 279.468 4.825 30 10 CJEE C=C(CNc1ccc(F)c(Cl)c1)c1ccccc1 131707173 UWFILKHAPICYJN-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCCCCCCCCCCC[C@H]1COCC[C@H]1O 147894473 BPSUMOWYJPODAK-DLBZAZTESA-N 270.457 4.695 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cscn1 158562048 YHFPBACERBIBFK-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C[C@H](NCc1ccc(C#N)cc1Cl)C1CCCCCC1 162781052 AKJXBTRECGCDGI-ZDUSSCGKSA-N 290.838 4.660 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CCc2ccccc2C1 164632647 HFYGLDYARDXALY-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 164938377 POOGOVOVCTYMMI-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)C[C@H](C)[C@@H]1C 168169066 YWHCAVPSECYCOP-PMPSAXMXSA-N 285.541 4.869 30 10 CJEE CCCCCCCC(=O)C[C@@H]1CCOc2ccccc21 228635889 YNTVUCGXPFISDG-HNNXBMFYSA-N 274.404 4.872 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(CC)cn1 228716106 MTPMHYCGZMYBON-KRWDZBQOSA-N 276.468 4.655 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)C1 231004017 LREKNYFGADGQPE-XJKSGUPXSA-N 276.811 4.860 30 10 CJEE Cc1cccc(C#N)c1Oc1cc(Cl)c(Cl)cc1N 231648637 YIEPQFNCXICCAU-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CCCCCC[C@@H]1CCCC[C@H]1CNC(C)C 232646877 KUUXKXHHZYRCOT-SJORKVTESA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(N)cc1 232951667 UJHLLCKYMALECD-QGZVFWFLSA-N 263.425 4.833 30 10 CJEE CCCCCCCc1c[nH]c2c(F)cc(F)cc12 232959728 CEMOCPVPMIWDOP-UHFFFAOYSA-N 251.320 4.959 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 232960280 NONCVGIFPPRKKZ-SNVBAGLBSA-N 295.279 4.920 30 10 CJEE C=CCCCCC[C@@H](Cc1cc(C)cc(C)c1)NCC 233537493 PRMDULHREKRIPR-IBGZPJMESA-N 273.464 4.961 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1CC(C)C 250823461 MJEVVMZAJHYHPD-CEXWTWQISA-N 296.543 4.691 30 10 CJEE CCSc1cccc(N(C)[C@H]2CCCC[C@H]2C)c1C#N 252810888 GHOBDFXKEFERQJ-HIFRSBDPSA-N 288.460 4.685 30 10 CJEE CCCCCCC[C@H](NCC)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300672319 ZFTGHOWTOWKWQU-SMLCLMEVSA-N 263.469 4.617 30 10 CJEE CCCCCCC[C@H](Cc1sccc1Cl)NC 310249116 VVDPQDWJCXWRNT-GFCCVEGCSA-N 273.873 4.893 30 10 CJEE C=CCCCCN[C@H](C)c1cc2ccccc2s1 311221923 VHMKQTRGNQTTLF-CYBMUJFWSA-N 259.418 4.908 30 10 CJEE N#Cc1ccnc(N[C@@H]2CCCCC23CCCC3)c1Cl 313206568 ZGNAGIVSIXJTHF-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CCCCCCCOCc1coc(Br)c1 382138889 ZEYZYAMJPAZBFX-UHFFFAOYSA-N 275.186 4.529 30 10 CJEE C=CC(C)(C)CN[C@H](C)CC(C)(C)c1ccccc1 384965927 OHBNXGVJMGQLLA-OAHLLOKOSA-N 259.437 4.545 30 10 CJEE CCCCCCC[C@@H](C)NCCOCc1ccccc1 390087766 HEOIVJUYZOQOTO-QGZVFWFLSA-N 277.452 4.542 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@H]1N 403477402 TURDRVMZJSVYJL-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE COC(C)(C)CCC1(C#N)CC(C)(C)CC(C)(C)C1 688308643 OMLUORBZULJQNL-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] 692249956 BCGBAMQVVZIAAS-YPMHNXCESA-N 294.782 4.795 30 10 CJEE CCCCc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 695814368 FVCMAZZKIQPQAL-AWEZNQCLSA-N 258.409 4.769 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(C(F)F)c2)CC1 701248284 KGMFGFZXFPOCFV-JTQLQIEISA-N 250.288 4.553 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccnnc1C 701785173 RSODEZBTRAMKDY-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE CCC[C@H]1CCCCN(c2ccc(Cl)cc2C#N)C1 703219106 JVBAEJNZRDMUOC-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C(F)(F)F)cc1N 703989502 MCHSGGSNVPBPEP-UHFFFAOYSA-N 286.341 4.692 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C(F)(F)F)c1F 715752770 LEGINLDOQMWFMF-QMTHXVAHSA-N 289.316 4.707 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C2(C)CCCCC2)C1 720385744 JDIPYYMRDLNOJL-IKGGRYGDSA-N 276.468 4.750 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2coc(C)c2)CC1 724605958 PHAXNIVVURXPMO-KRWDZBQOSA-N 261.409 4.765 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)CC[C@@H]2CNC2CC2)CC1 724617191 OGXCWAFODWXKTI-NXHRZFHOSA-N 275.480 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1 821996176 FRWMFHZLVDBQRN-NVXWUHKLSA-N 277.839 4.607 30 10 CJEE C=C(C)c1cccc(N[C@H](C)CC[P@](C)(=O)OCC)c1 898308839 FLARMTPHNZUKMW-JLTOFOAXSA-N 295.363 4.855 30 10 CJEE N#Cc1cccc(N=Cc2c(Cl)cccc2Cl)c1 1084125192 GUCMTXGYKNGWPN-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE CCN(CC)C1=CC(=Nc2ccccc2)SC(C)(C)C1 1088673403 VIORCQIPQPWKQC-UHFFFAOYSA-N 288.460 4.858 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@]1(C)CC(C)C)c1ccccc1 1129200941 BFKKAZOPMBTRMK-FXAWDEMLSA-N 299.458 4.774 30 10 CJEE C=CC1(CC(=O)N2Cc3ccccc3[C@H](C)C2)CCCCC1 1133170349 HJRICRZMFQJZCE-MRXNPFEDSA-N 297.442 4.659 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(C)c(OCC)c1 1181717086 AFEGOCBRYVWYRU-OAHLLOKOSA-N 261.409 4.941 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1cccc(SCC)c1 1200578829 BUMNACBLUUZSPL-UHFFFAOYSA-N 292.448 4.522 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc2occ(C)c2c1 1203613394 XBHGYMRXGDPBFK-UHFFFAOYSA-N 286.375 4.608 30 10 CJEE C(#Cc1ccccc1)CN[C@H](CC1CCC1)c1ccccc1 1205006908 AAICGCJCPAAQHS-OAQYLSRUSA-N 289.422 4.559 30 10 CJEE C=CCC[C@H](C(=O)NCC1(C)CCCCC1)c1ccccc1 1274687281 KHUSHYDPJWWYPX-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1c(C(C)=O)ccc2ccccc12 1278615911 IOBWWQVWGJENIS-UHFFFAOYSA-N 295.382 4.583 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc([C@@H](C)CC)c1 1279962483 KOIJHBWWVFNWNV-KBPBESRZSA-N 259.393 4.741 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)CCC=C(C)C 1349893735 LOWJNPIIFQAUIN-SFHVURJKSA-N 299.458 4.974 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cccc(C)c2Br)C1 1462133917 OEEQNKCDEOMSPZ-QWHCGFSZSA-N 294.236 4.914 30 10 CJEE C=CCC[C@H]1CCCN1Cc1c(Cl)cccc1OCC 1473857523 VKGZZUGEXOIUAQ-AWEZNQCLSA-N 293.838 4.669 30 10 CJEE C=CCN(C(=O)C/C=C\c1ccc(C(C)C)cc1)C(C)C 1526152154 NOKORZIVZMNMGZ-FPLPWBNLSA-N 285.431 4.636 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CC)CCCC 1538890057 IXVWSGLRHPCSEN-GVDBMIGSSA-N 279.468 4.844 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[C@@H]1C 1539035739 MSVQTHVKQFXSNZ-HKUYNNGSSA-N 299.458 4.808 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cc2cccc(Cl)c2s1 1540091367 QTJBVHVIXQWZML-NSHDSACASA-N 293.819 4.639 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccccc1-c1ccccc1 1540192215 AZBUBDKVQZBMAM-UHFFFAOYSA-N 293.410 4.686 30 10 CJEE C=C(CC)CN(C)c1ccccc1Oc1ccccc1 1559611030 MOHKKSHHCXGSKS-UHFFFAOYSA-N 267.372 4.881 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(CC(C)C)CC(C)C 1587233706 KCNCHNLTQFKNPU-AEFFLSMTSA-N 293.495 4.946 30 10 CJEE C=C1CCC(C(=O)Oc2c(C)cc(CC)cc2C)CC1 1596099748 NLOFYCAJBCMEAE-UHFFFAOYSA-N 272.388 4.518 30 10 CJEE C=CCC[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccccc1 1616739077 UXWYZIYRAZGRMW-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=CCCCN(CC)C(=O)[C@@H](C)c1ccc2ccccc2c1 1627341147 MPOPNTZIDKNDRM-INIZCTEOSA-N 295.426 4.758 30 10 CJEE C=CCCCN[C@H](C)c1cc(Cl)ccc1OC(F)F 1642440000 PCRIJHIKHBVWSZ-SNVBAGLBSA-N 289.753 4.558 30 10 CJEE C=CC[C@H](C)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1642671412 GUUKVYNVDBKKDQ-XQQFMLRXSA-N 285.353 4.752 30 10 CJEE CCCCCCSc1ccc(Cl)cc1C#N 1656331277 AZIUFRAWLLHXAF-UHFFFAOYSA-N 253.798 4.884 30 10 CJEE C#Cc1ccc(CNc2ccc(OCCC)c(Cl)c2)cc1 1656836105 PVGZMJJZDKTHGP-UHFFFAOYSA-N 299.801 4.722 30 10 CJEE C#CCCOc1ccc(CNc2cccc(C(C)C)c2)cc1 1656862639 KBSPFMSUBWSVEH-UHFFFAOYSA-N 293.410 4.824 30 10 CJEE C#CCCCCCCN(CCC)c1ccccc1F 1659424842 LMJRUYOWNPURGE-UHFFFAOYSA-N 261.384 4.626 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC)C1 1659624578 MYENAXKOAXKZJD-CQSZACIVSA-N 293.838 4.527 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 1660637670 IUHDKMACLQVNCA-XSWJXKHESA-N 289.850 4.614 30 10 CJEE C=CC[C@H](C)NCc1ccc(Oc2cccc(F)c2)cc1 1661458785 MODHGRHPMOPYHD-AWEZNQCLSA-N 285.362 4.672 30 10 CJEE C=CCCCNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1664789961 SJWOCHXBJXEKAV-ZDUSSCGKSA-N 286.419 4.559 30 10 CJEE C/C(=N\OCc1ccccc1Cl)c1ccc(C)cc1 1857935812 BRHNZXQKKQVEFJ-QGOAFFKASA-N 273.763 4.589 30 10 CJEE 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4.576 30 10 CJEE C#CC(C)(C)C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2002379088 WCCBUZQEFXEEOZ-SNVBAGLBSA-N 291.605 4.730 30 10 CJEE CCCCCC#CC[C@H](N)c1cc(C)c(Cl)s1 2024372249 YARJBIWUMRGVOA-LBPRGKRZSA-N 269.841 4.684 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC[C@@H](F)C2)CC1 2032937113 QHVFHBWZRYPTKE-PWUWZPNHSA-N 254.389 4.690 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 2040318634 HCJKHLOLNIWKSB-SSDOTTSWSA-N 296.144 4.971 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1cc2cc(F)ccc2s1 2040520006 VSVFZWZBAPJZHA-MEBBXXQBSA-N 264.365 4.676 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)C1CCC(C)(C)CC1 2040637176 ZCPYBBNGQMRKJJ-LSDHHAIUSA-N 251.458 4.926 30 10 CJEE CC(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1 2040744287 XIIAPMMQGWDUET-UHFFFAOYSA-N 256.732 4.626 30 10 CJEE CCCCCCC[C@]1(O)C[C@H]2CC(F)(F)C[C@H]2C1 2042109416 QBDXFXSRIVAYBT-BTTYYORXSA-N 260.368 4.533 30 10 CJEE CCCC[C@](C)(C#N)CCCCC1CCOCC1 2046000967 VYSAIKDTOGMTAJ-INIZCTEOSA-N 251.414 4.693 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CCCCCC1(F)F 2046370003 IXYDLERHDIBJOV-KGLIPLIRSA-N 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CJEE CCCCCCCCC[C@@]1(C)NC(C)(C)CCO1 2263646906 JDNSXRWBRJOOFL-INIZCTEOSA-N 255.446 4.632 30 10 CJEE CC(C)CN(CC1(CS)CC(C)C1)C1CCCCC1 2265306230 PGAWFOSLDNZXHF-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CC1CCCC1 2268751814 CQAJANUIVAHVLC-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=CCCCCCCCSCc1ccc(CO)cc1 2271520308 ULXHVSWIBCRQBN-UHFFFAOYSA-N 278.461 4.939 30 10 CJEE C=C(C)CCCCn1cc(C=O)c2ccc(Cl)cc21 2271755265 MEHRZKNAAUHYTF-UHFFFAOYSA-N 275.779 4.854 30 10 CJEE C=C(C)CCCC[C@@]1(N)c2ccccc2CC1(C)C 2271773078 QEFJTKXGCYEYDP-GOSISDBHSA-N 257.421 4.559 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccccc1C1CC1 2271837990 ADWAMKQEWOVMBR-SFHVURJKSA-N 257.421 4.961 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C1(C)CCCCCC1 2273996315 UIVVNYFXCBSVHK-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@@H](C)CC 2276635961 FSFRXBFBRYSSNZ-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)C(C)C)OCCN 2276751166 WQRUXJPMLUOKNR-DLBZAZTESA-N 271.489 4.763 30 10 CJEE C=C(C(C)(C)C)[C@](CC)(CCC(C)C)OCCCN 2277145754 TWFBKRNSMFMRFW-KRWDZBQOSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CCCCF 2278180468 KTDSAHGLMQGXKY-MRXNPFEDSA-N 274.420 4.587 30 10 CJEE CCCCCCC[C@H](O)C(=O)CC[C@H]1CCC[C@@H](C)C1 2279845288 LWYXOLJUVLZKKB-ZACQAIPSSA-N 282.468 4.883 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H]1CC(F)(F)C12CCC2 2280811127 MTFFIAKDYSMBTM-ZFWWWQNUSA-N 284.390 4.988 30 10 CJEE Cc1ccc(Cl)c([C@H](O)C2(C#N)CCC(C)(C)CC2)c1 2283236098 HKABNNFEOURRQW-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE CCc1ccc(CN(C)CC2(CS)CCCCC2)cc1 2283523198 YOEYAUMZYJIQPY-UHFFFAOYSA-N 291.504 4.561 30 10 CJEE CCCN[C@@H]1CC(C)(C)C[C@H]1CC=CC#CC(C)(C)C 2284087861 HDNHMGFZFYMCPQ-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C(F)(F)C1CCCCC1 2284113306 QYNGGRKOWMLDRN-UHFFFAOYSA-N 282.374 4.767 30 10 CJEE CC[C@H](C)C[C@](C#N)(CSCCC1CCC1)NC(C)C 2285654399 CWNOJZDUMXAXDF-RDJZCZTQSA-N 296.524 4.606 30 10 CJEE C#C[C@H](Nc1nc(C)cc2sccc12)C1CCCCC1 2286157004 JPQHDQKGBKRZDU-HNNXBMFYSA-N 284.428 4.599 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1Cc2ccccc21 2287413952 MMLJOFPJVQHUSQ-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C=C(C)CCCCOc1ccc([C@H](C)NCC)c(F)c1 2287416409 ZDVPKFZAEYWEKB-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE CCCC[C@@](C#N)(CC)c1cnc(C(F)(F)F)c(C)c1 2288230304 GQFLKPKFVKPBMK-CQSZACIVSA-N 284.325 4.770 30 10 CJEE CCCCCCCCCCCCN(C)C(C)(C)CNC 2288939221 CFEWOFGZKUWISA-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE CC(C)(C)c1cccc([C@H](N)CC#CC2CCCC2)c1 2289852913 VJBHTFAEFKPXFV-GOSISDBHSA-N 269.432 4.568 30 10 CJEE CC1(C)CCC(C)(C)[C@H](CC#CC2CCCCC2)[C@@H]1O 2290334396 LNCXNPRGQBIBHX-SJORKVTESA-N 276.464 4.784 30 10 CJEE CCC[C@](C)(C=O)CN(C)[C@@H]1CC(C)(C)CCC1(C)C 2290341922 ZOSJRKZNJASDSB-QAPCUYQASA-N 281.484 4.528 30 10 CJEE CCCCCCCC[C@@H](C)NCCC12COCC(C1)C2 2290347776 JLDTXYXNQLQFQV-WWDZGPRUSA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@@H](CC1CC1)OCCC(=O)O 2290580118 NRGHKUMUBKNYSW-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C1(CC)CCC1 2290917285 HDPKUDBSWSHGON-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@](CC)(OCC(=O)O)c1ccsc1 2290920039 FBKIYLOAULGTCQ-MRXNPFEDSA-N 298.448 4.815 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)C(C)C 2291806816 IBRXPDAYEBOKSG-JKSUJKDBSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCC(=O)O)C(C)C 2292426074 HQILLWQEQVBTEM-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@@H]1CCCS1 2292792085 KPQSLHHQXIDFOZ-SJORKVTESA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(SC)cc1 2293071888 IRDKOAVEJSBOGB-QGZVFWFLSA-N 295.492 4.785 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)c1ccco1 2293464095 RPMXGNPUMYCDJU-QGZVFWFLSA-N 281.440 4.611 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1CC(F)(F)C1 2294565409 NLPSGWRSFSIAIZ-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE C#CCCCCC[C@H](NCC)c1nc2ccccc2s1 2295390410 KAVUCBAHRKCJBG-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@](C)(CCC)C(=O)O 2295531551 MEMDCUVGDFOJPA-RDJZCZTQSA-N 285.472 4.749 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)[C@@H]1CCCNC1 2295535537 DOQHAZODQNZECJ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@](C)(OCC1CCC1)C(=O)O 2295598922 MGSAZLQVTBRVTN-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1C[C@@H]1CC 2295677443 TWEVEHAMDCMOGQ-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@]1(C)C(=O)CCN1CC1CC1 2295686772 MPRAYPPOYUTNGF-SFHVURJKSA-N 279.468 4.571 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COCCC1(F)F 2295688297 DGFZVHUXXYKLGK-GJZGRUSLSA-N 291.426 4.529 30 10 CJEE Cc1cc(OCCCCCCCC2CC2)ccc1C#N 2296401053 JYDTXTDOHZOLPT-UHFFFAOYSA-N 271.404 4.996 30 10 CJEE C=CCC(CC=C)OCc1ccc(Br)c(F)c1 2298832627 WVHYBMFTNRLUEU-UHFFFAOYSA-N 299.183 4.626 30 10 CJEE CCC[C@@H](CS)COCc1cccc(Cl)c1Cl 2301344968 AEOWIEUPVRCUHQ-SNVBAGLBSA-N 293.259 4.856 30 10 CJEE C[C@@H]1CC[C@H](CSCC2(CS)CC(C)(C)C2)C1 2304520580 KTRNNDAETOKKMV-OLZOCXBDSA-N 272.523 4.892 30 10 CJEE C=CCC(CC=C)N[C@@H](CC)c1ccc(Cl)cc1 2313545497 XLAIVNMBMQBHCT-INIZCTEOSA-N 263.812 4.902 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1csc2ccccc12 2319261047 LNUFNDJRJOUOPO-CJNGLKHVSA-N 257.402 4.518 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1CCCC(C)(C)C1 2321118158 RLXRBDMNYXULDM-VYDXJSESSA-N 251.458 4.913 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCC(C)(F)F)NCCC 2321127445 JVXAZJFUVFZOLG-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1C[C@@H]2CCC[C@H]2C1 2321237358 LZSCCDWJYSJFSE-NXOAAHMSSA-N 250.426 4.556 30 10 CJEE C=CCCC(C)(C)CNCC[C@H]1CCC(C)(C)C1 2321627692 LSOBTSOJKYPWGQ-OAHLLOKOSA-N 251.458 4.785 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CCCC2(CC2)C1 2327116372 SRKKOQFHNMQEEX-HIFRSBDPSA-N 270.482 4.708 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@@H](C#N)C(C)C)c1Cl 2327859822 KIYVQZHSDDYHNS-GWCFXTLKSA-N 285.218 4.501 30 10 CJEE CC[C@H]1CC[C@](C#N)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332825049 CAWJLRWISSBACW-LEUOFYLZSA-N 253.389 4.900 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@@H]2C=C[C@H]1C2 2333365896 YSAHZJDIHJRRSZ-FGTMMUONSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCCN[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 2333706298 JYPDQNNLEHLBEP-RSJGLCBASA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)Sc1ccc(C(=O)O)c2ccccc12 2335192110 VDEGLAWXKGCUFF-NSHDSACASA-N 272.369 4.595 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(F)c(C)c1 2338732439 JFAXLTSWIGFYLE-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@@H](CC1CCSCC1)NCCC 2338743765 ISVJLRFTSRDLAW-QGZVFWFLSA-N 281.509 4.656 30 10 CJEE CCCCCCC[C@@]1(CNC)C[C@H]2C=C[C@H]1CCC2 2338771592 AVIQNLAPBWPWFR-KURKYZTESA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)O)c(C)c1C 2340855608 LCLIDGBFXXSECM-CQSZACIVSA-N 276.445 4.970 30 10 CJEE CCCCCC#CC[C@H](CCC[C@H]1C[C@@H]1C)NCC 2341493373 BNCFGRZIMFCUFH-OKZBNKHCSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CC[C@@H]1C1CC1 2342539554 DNPNGKBTFPKOHG-MLHJIOFPSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2343422274 FEFITHXZCVGVCN-CKYFFXLPSA-N 296.197 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@H]1CCCC12CC2)NC 2344375168 MELPPCKCAQJCJM-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@H]1CC2(CC2)CN1 2344496000 FZTLGSUUJOHPFO-HZPDHXFCSA-N 269.448 4.997 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@@H](OC)[C@@H]2C1 2357038432 YNDKDCXBIGAOKO-BSDSXHPESA-N 281.484 4.660 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)cc1F 2360203854 APSMABIUQPKBKJ-MLGOLLRUSA-N 299.430 4.703 30 10 CJEE C=CC[C@@H](C)SCc1cccc(NCCC)c1[N+](=O)[O-] 2360352659 DITUQFZEJAYJPU-GFCCVEGCSA-N 294.420 4.615 30 10 CJEE Cc1ccn2c([C@H](C)C#N)c(-c3ccc(Cl)cc3)nc2c1 31921428 UVBLFQHWIZTLEL-GFCCVEGCSA-N 295.773 4.590 30 10 CJEE Cc1cccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)c1 39886231 VBOGFLGGKAMBFP-PTNGSMBKSA-N 294.379 4.523 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2nccs2)C1 40676879 ZBXMKDOXKQGNDL-QJPTWQEYSA-N 280.462 4.590 30 10 CJEE CCCC[C@H](CC)COCCCC[C@](C)(C#N)NC(C)C 45324530 PFWAHWJTKTUBNJ-ZWKOTPCHSA-N 296.499 4.670 30 10 CJEE CCCCCCCCCOc1ccc(OC)cc1CNC 59178639 YDZCRBSENDBQDY-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE COc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1C(C)C 77083892 UDGRWIFOQYCXQM-UHFFFAOYSA-N 281.355 4.828 30 10 CJEE COc1ccc(C(=O)/C=C/c2cccs2)cc1C(C)C 83201626 YDJOQAKMOAWOEA-BQYQJAHWSA-N 286.396 4.776 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)CC1 86949129 XLVHODMAHWYQKZ-PBHICJAKSA-N 274.383 4.736 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCC[C@@H](CC)CC2)CC1 91903332 MNWLBCFIYXVTDZ-CPFNUKBASA-N 277.452 4.818 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Sc1cccc(Cl)c1 93955903 AXQLRCWXSOTSBE-GXFFZTMASA-N 251.782 4.514 30 10 CJEE CCCC(CS)(CCC)CN(C)CCc1cccs1 94582184 SQQWICSDVPVFQS-UHFFFAOYSA-N 299.549 4.739 30 10 CJEE Cc1ccc(SC[C@@H](CS)C(C)(C)C)cc1C 94588751 XLYNSCSUXCLFHR-CYBMUJFWSA-N 268.491 4.988 30 10 CJEE C[C@H]1CCC[C@H](C)N1CCCCCCCCCS 97799179 QOKGZANAVWNQFA-HOTGVXAUSA-N 271.514 4.910 30 10 CJEE CCCCCCCNCc1cccc(OCC(C)C)c1 100027416 OUSVQCFUNRSHNM-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCCCCCCCCC#CCC#CCCCC(=O)OC 100069340 MNOXJMPZZXVJJW-UHFFFAOYSA-N 290.447 4.867 30 10 CJEE Cc1cc(Oc2ccc(Cl)cc2C#N)ccc1Cl 104170037 WAQUXOQJIKKBCF-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](NC(C)C)c1nccs1 104444719 FDQXLMRLUVGSPJ-ZDUSSCGKSA-N 254.443 4.543 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(OCCC)cc1C 107614466 BKYCTNYQKPCZEI-HOCLYGCPSA-N 258.405 4.937 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)Nc1ccc(F)cc1 110028551 KUSYHZHPWSWBDI-XOKHGSTOSA-N 274.383 4.592 30 10 CJEE CCCCCCC[C@@H](CCc1ccccc1)NCC 111235686 CXPHYVMSRIAOMB-SFHVURJKSA-N 261.453 4.958 30 10 CJEE CCCCCCCc1nc2c(Cl)cccc2[nH]1 113543594 LTEUKLXETFGCDE-UHFFFAOYSA-N 250.773 4.729 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCCO1 114994523 QBOHUICNSYLNGC-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1COc2ccccc2C1 115842447 UFXGCHWBBBITSY-ZWKOTPCHSA-N 290.447 4.739 30 10 CJEE C[C@H]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122420225 QWTZNACRHCPEBD-JQWIXIFHSA-N 283.293 4.535 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1COc2ccccc21 124904549 XJYZGKCHIXBEGY-ZWKOTPCHSA-N 289.463 4.891 30 10 CJEE CCCCCCCCCCC(=O)C[C@H](C)COC 135634558 MPQOLJVVNXRYEI-HNNXBMFYSA-N 256.430 4.759 30 10 CJEE C[C@@H](NCc1ccc(C#N)s1)c1ccc(C(C)(C)C)cc1 135681371 WZDLMLKGRZSSJW-CYBMUJFWSA-N 298.455 4.768 30 10 CJEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@H]2CC[C@H]1C3 137088640 TUJQVRFWMWRMIO-IEJRGFGGSA-N 288.475 4.948 30 10 CJEE endogenous,in-man Cc1ccc(C)c([C@@](C)(O)C2(C#N)CCCCCCC2)c1 156794424 YFCDQSDDPHNTOJ-GOSISDBHSA-N 285.431 4.765 30 10 CJEE CCCCCCCC[C@H](NC)c1ccncc1CC 157984160 DDSSZBCSYMVVAK-KRWDZBQOSA-N 262.441 4.655 30 10 CJEE C=C(C)CN[C@H](C)c1ccc(-c2ccccc2)cc1 161029280 DSYNBTNIALFGTQ-OAHLLOKOSA-N 251.373 4.580 30 10 CJEE CCCCCCC[C@@H](O)[C@H](OCC)C1CCCCC1 163064198 NLVFAMWSMJDAET-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC(=O)C[C@H](N)c1ccccc1 167296495 FNYVGWLUJUBYSG-SFHVURJKSA-N 275.436 4.786 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)c1c(Cl)cccc1Cl 186077318 YQNSRZZKIQPEBQ-SNVBAGLBSA-N 286.202 4.559 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(C(C)(F)F)c1 189384974 JMLFCUXNLPVBGK-UHFFFAOYSA-N 279.330 4.505 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1cccc(Cl)c1C#N)C2 228970864 PIXQGPFUZLWUSN-KCTSRDHCSA-N 289.806 4.805 30 10 CJEE CCCC1CCC(C#N)(CCC(C)(C)OC)CC1 230917385 MFBSTGQKAIOMMT-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE CCCCCCCOCCC[C@H](CC)NCCC 232932674 WRZWTCOHOXVBAF-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCOc1ccc2c(c1)[C@H](O)CCC2 232945875 JQJJMGWANSZKEG-GOSISDBHSA-N 276.420 4.796 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(Cl)o1 232957070 JFMKUSOFHONACV-LBPRGKRZSA-N 257.805 4.944 30 10 CJEE CCCCCCCCCC[C@H](N)CC1(OC)CCC1 232961549 KLJORKUWJVLAOV-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(C)s1 232990386 QOTMDPLIXOBJAF-ZDUSSCGKSA-N 254.443 4.592 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCCc2sccc21 236315098 MIDJUEHJYAGYSO-UKRRQHHQSA-N 263.450 4.632 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C)CC(=C)[Si](C)(C)C 238449982 GHURHTWRZGWCBW-CYBMUJFWSA-N 297.515 4.622 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NC 250823195 MGROHZFJMRINCC-BRWVUGGUSA-N 283.500 4.776 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 250840736 XPYSBPBSWNALJI-ZBRFXRBCSA-N 264.453 4.924 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2C[C@H](C)CC[C@H]2C)C1 251270102 MMHZKPCAPAIZAP-DUQPFJRNSA-N 290.495 4.851 30 10 CJEE C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3CC(=O)C=C[C@]3(C)[C@@H]1CC2 254404853 LYQLGOGKDQKQAX-ATXKVLEDSA-N 272.432 4.764 30 10 CJEE in-vitro CC(C)Sc1ccc(C[C@H](C)C#N)cc1Br 260264702 APPSTQQISSABKE-JTQLQIEISA-N 298.249 4.652 30 10 CJEE N#CC1(c2ccc3oc(C(F)(F)F)cc3c2)CCCC1 260641172 UCKFGIIOZIHTRX-UHFFFAOYSA-N 279.261 4.787 30 10 CJEE CC(C)(C#N)CCCCN1[C@H]2CC[C@H]1c1ccccc12 277590686 DFOJASJQTPAYPQ-IRXDYDNUSA-N 268.404 4.598 30 10 CJEE C=C(Cl)COc1cc(C)c(Br)c(C)c1C 306533755 DEYLFAYWXJNTMF-UHFFFAOYSA-N 289.600 4.506 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C/C1=C\B1OC(C)(C)C(C)(C)O1 306611549 LWEWUNGPSOOOOB-NKUMRXJFSA-N 278.245 4.636 30 10 CJEE CC[C@@](C)(C#N)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307897094 RXBOCADJLLHUIH-KBPBESRZSA-N 286.202 4.531 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc2c(c1)OCC2 308491134 QPHBMSBNTXLQPA-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCC[C@H](C)NCC(CC)(CC)OC 310809464 BVNFXVLGYMPKBF-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCNc1ccc(C(F)F)cc1N 311700636 QFKFGHHICQBXKF-UHFFFAOYSA-N 270.367 4.979 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccsn1 311714189 WNECJMNKODBFTI-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC/C=C\c1ccccc1 317190486 KEUHRKSLOQQVJP-XJRBSSRCSA-N 256.389 4.875 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CCC[C@H](C)C2)CC1 317267513 HBZFTQFXWWAPID-ORBLRFAASA-N 250.426 4.844 30 10 CJEE C=C(C)CC[C@]1(CNC(C)C)CCC[C@H](CC)C1 318138060 YDWFCDSLFLMKIR-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@H]1CCC2(CCCCC2)O1 384914801 YXWLXHAABRZHLL-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE CCCCCCCOc1ccc(C)cc1C(C)=NO 386727689 ZVDJCGKWUTXWER-UHFFFAOYSA-N 263.381 4.542 30 10 CJEE CCCCCCCC[C@H](CCOCc1ccccc1)NC 395517487 HCRBELAVPIBXSN-LJQANCHMSA-N 291.479 4.932 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Cl)cc(Cl)c1O 398147905 CMXNFPJKOYIEPS-JTQLQIEISA-N 288.218 4.533 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@H]1CCOC1)NC 401330422 DCECVCSDSITVPY-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC(=O)C1CCSCC1 401829881 MABJUWFWQZUMNF-UHFFFAOYSA-N 256.455 4.839 30 10 CJEE C[C@H](CC(F)(F)F)CC1(C=O)CCCCCC1 402531287 VGZLOEIAAPMMMC-NSHDSACASA-N 250.304 4.505 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC 403819940 AAZSZHMUSVYDGG-YESZJQIVSA-N 281.484 4.552 30 10 CJEE N#Cc1cccc(F)c1-c1cccc(Cl)c1Cl 514261148 FHAOTFNZQIGXFQ-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCCC[C@H](C)NCC1(c2ccccc2)CCCC1 686670930 HNUHMVFGZGIDBB-KRWDZBQOSA-N 271.448 4.833 30 10 CJEE CC1(CC/N=C2/NC3(CCCCC3)CCS2)CCCC1 687320095 QKNDRWUGLNAZIO-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CC(C)(C)C#CC[C@@H](O)C1CC(C)(C)CC(C)(C)C1 688343004 BPXKRLBPGININD-OAHLLOKOSA-N 264.453 4.639 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 695746878 YUUBQKNITJTZHK-XJKCOSOUSA-N 288.822 4.982 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCCC[C@H]1C1CC1 695967832 NMGDFFIDGOZYPS-XJKSGUPXSA-N 274.795 4.614 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)CCC[C@H](C)N 696064492 LAWOWIHOZCXXJU-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE Cc1ccc(COc2ccc(Cl)c(Cl)c2)cc1C#N 701869970 AOCGBKFFNXDRGE-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC34CCCCC4)C[C@@H](C1)C2 703219939 XOSSVVFCFJRMKM-UJJTZGENSA-N 273.464 4.824 30 10 CJEE Cc1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1C#N 703773289 YVWXTJAJMIQFKS-FSPWUOQZSA-N 270.420 4.739 30 10 CJEE CCCCCCCCCNC[C@@H]1CCC2(CCCC2)O1 709483949 OPNHMQCLWFMYIZ-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)c(F)c1C 710409803 VCDGAYTVEOPHTG-SECBINFHSA-N 286.188 4.663 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCCc2sccc21 710640228 YEUCRFVVYUSJRB-OCCSQVGLSA-N 283.868 4.679 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(Cl)c1 715010684 POCBPIOKHFLRBN-WFASDCNBSA-N 251.801 4.593 30 10 CJEE CCCCCCCCCC[C@@H](COC1CC1)NCC 716901619 XQDXRMBSJMFBRR-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](C)[C@@H]1CCCO1 720205303 RHBBBZMGUDTPMZ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](COC)C(C)C 721949257 KHQAOFZFTVQANR-IRXDYDNUSA-N 272.473 4.797 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccsc2)NCCC)CC1 724548945 IUAXHCOKGBPOGI-KRWDZBQOSA-N 277.477 4.795 30 10 CJEE C=C1CCC(CNc2cccc(OC(F)(F)F)c2)CC1 724566560 OROSYUPCRHUJRE-UHFFFAOYSA-N 285.309 4.744 30 10 CJEE C=C1CCC(C[C@H]2CC(C)(C)CC[C@@H]2CNC)CC1 724619105 VFXMCQJBXFYIQZ-SJORKVTESA-N 263.469 4.785 30 10 CJEE C#Cc1ccc(CN[C@@H](CC(C)C)c2cccs2)cc1 809608892 XLBSXGQGEFUEOY-KRWDZBQOSA-N 283.440 4.606 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[C@H]1CC 821986880 FLOCHARGXYVOHH-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE Oc1ccc2ccccc2c1C=NNc1cccc(Cl)c1 1084193918 FUFXVVHRSUIMCL-UHFFFAOYSA-N 296.757 4.645 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1125365136 OOURJBIQQCLWNA-GOSISDBHSA-N 299.458 4.967 30 10 CJEE C=CCC[C@@H](NC(=O)CC1(C)CCCC1)c1ccccc1 1127383308 AXAFJFJWEXJSLC-QGZVFWFLSA-N 285.431 4.781 30 10 CJEE C#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 1135920992 DOSIFONQZNABNT-UHFFFAOYSA-N 297.357 4.587 30 10 CJEE C#CCCCCCCN(C)[C@@H](CC)Cc1ccccc1 1167518079 TYCDTMFXGHXRIQ-IBGZPJMESA-N 271.448 4.523 30 10 CJEE C=CCCCN1CCC[C@@]1(C)Cc1ccccc1Cl 1171901130 VBDPIPGRUDVZPA-KRWDZBQOSA-N 277.839 4.703 30 10 CJEE C=C(C)c1cccc(NCC2(CCCOC)CCC2)c1 1184198474 YCOZUJVFPGEUSZ-UHFFFAOYSA-N 273.420 4.729 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1OCc2ccccc21 1184336534 AGPSUYCXCVGHNF-QAPCUYQASA-N 275.436 4.597 30 10 CJEE C=CCC1(CN[C@H]2CS[C@@H](C(C)(C)C)C2)CCCC1 1205789499 NSZUHSKYLMLJNV-HUUCEWRRSA-N 281.509 4.633 30 10 CJEE C=CCCCCCCCNc1cc(C)ccc1[N+](=O)[O-] 1307135007 TULAZDDICUDJDD-UHFFFAOYSA-N 276.380 4.842 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC/C=C/c1cccc(F)c1 1308433764 BBTIYYUYHVOWJN-ACGJQVIASA-N 295.401 4.616 30 10 CJEE C=CCC1(C(=O)Oc2cccc(Cl)c2)CCCCC1 1352530973 KQTIRRGLCHKTOF-UHFFFAOYSA-N 278.779 4.772 30 10 CJEE C=CCC1(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CCCC1 1436233415 FYLXDFGJSCICDW-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](c1cccs1)C(CC)CC 1442080482 QBBKZXGETBMNEJ-MRXNPFEDSA-N 293.476 4.944 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](CCC)c1ccccc1 1456668040 KTAXDHJAISPZFH-GOSISDBHSA-N 287.447 4.775 30 10 CJEE C=CC(C)(C)CCNc1cc(C(C)(C)C)nc(C(C)C)n1 1458507048 QEQUGWSRRHBXHC-UHFFFAOYSA-N 289.467 4.912 30 10 CJEE C#C[C@H](NC[C@H]1CCC[C@H](CC)C1)c1ccc(Cl)cc1 1462303345 GATZVSORFPOHFI-MPGHIAIKSA-N 289.850 4.820 30 10 CJEE C=CCC[C@@H](C(=O)N1CC(C)(C)[C@@H]1C(C)C)c1ccccc1 1468532424 YUTQTFATKQPGCD-MSOLQXFVSA-N 299.458 4.629 30 10 CJEE C=CCC[C@H](N[C@@H]1CCC[C@H](SC)C1)c1ccccc1 1474078963 RKQGZKRVQCGJHD-SQNIBIBYSA-N 289.488 4.958 30 10 CJEE C=CCCCCCCCNC(=O)N[C@H]1CCCCC1(C)C 1478169160 ZQNKHKRHXAYHJU-INIZCTEOSA-N 294.483 4.781 30 10 CJEE C=CC[C@@H]1N(C(=O)CCCC(C)(C)C)CCCC1(C)C 1524931440 SKVWVCVFSINJME-HNNXBMFYSA-N 279.468 4.796 30 10 CJEE C=CCCCCCCCNC(=O)/C=C(/C)C(C)(C)C 1527924301 QCBVFIGJWICBSI-PFONDFGASA-N 265.441 4.622 30 10 CJEE C=CCCC1(CNC(=O)CCCC2CCCC2)CCCC1 1528541744 PFSGUTNLOVWKMN-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCC(C)=C(C)C2)CCCC1 1532341000 ZFRLZZZCAOEOIR-KRWDZBQOSA-N 289.463 4.766 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@@H](CC)CCCC 1537213010 DDXNXEMYCCNSKZ-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C#CCC1(NC(=O)CCCC2CCCCC2)CCCCC1 1538315808 PMRADPYGGBYDCP-UHFFFAOYSA-N 289.463 4.579 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1 1540429780 JQABWGJKKAEUQZ-IBGZPJMESA-N 293.410 4.938 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](CC)c1ccc(F)cc1 1544262974 JKQNPZQGBRFSHX-KRWDZBQOSA-N 291.410 4.572 30 10 CJEE C=CCN(C(=O)CCCCCc1cccs1)C(C)(C)C 1587532274 MRHBABKKDNTYQY-UHFFFAOYSA-N 293.476 4.664 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H](C)C1CCC1)c1ccccc1 1598379263 FNEPXEDPIQOEOJ-MAUKXSAKSA-N 285.431 4.636 30 10 CJEE C=CCC1(C(=O)N2CC=C(C(C)(C)C)CC2)CCCCC1 1610960748 LOEWMIMCRCTBTK-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE Fc1cccc(C#Cc2c(Cl)cccc2Cl)c1 1614730890 KRZHHHGUAACKTG-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CC[C@H](C(=O)Nc1cncc(C(C)C)c1)c1ccccc1 1616380094 YFSHMTWBGLQHCX-SFHVURJKSA-N 294.398 4.503 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2ccc(F)c(Cl)c2)C1 1620214816 MITCOKNXRZGZMB-OLZOCXBDSA-N 281.802 4.828 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCOc2ccc(CC)cc21 1621231236 ANFYUSCFAUQMRS-AEFFLSMTSA-N 287.447 4.797 30 10 CJEE C=CCCCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1642673526 YEGHJSYUPFUSNC-CHWSQXEVSA-N 285.353 4.753 30 10 CJEE C=CC[C@@H]1N(CCCc2cccc(F)c2)CCCC1(C)C 1645453442 LLWBLVWSWJVFJO-SFHVURJKSA-N 289.438 4.825 30 10 CJEE CCCCCCCCCN1CCC[C@@H](CCF)C1 1647756763 CDUYRNMMCAWTKR-INIZCTEOSA-N 257.437 4.809 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cc(C)c(C)cc1C 1651208307 JTSYLFYVJQMADQ-NRFANRHFSA-N 293.454 4.889 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H](C)c1ccccc1 1652362040 VWISERFZWJZLDN-GOSISDBHSA-N 279.427 4.868 30 10 CJEE C=CCn1c(S[C@@H]2CCCC[C@H]2C)nc2ccccc21 1652390935 OFXSTZYJGXZFLF-CZUORRHYSA-N 286.444 4.893 30 10 CJEE C=CCC[C@@H]1CCCN1CCSc1ccc(C)c(C)c1 1655794784 SUMAYYZSNPSQEY-QGZVFWFLSA-N 289.488 4.826 30 10 CJEE C#Cc1ccc(NCc2c(C)cc(Cl)cc2C)cc1 1658124102 ZZAOEAVEFADAPC-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C=CCCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 1658378299 RQWXSBFSLZYTIM-HNNXBMFYSA-N 283.337 4.809 30 10 CJEE C=CCCCCC[C@H](C)NCCC1C[C@@H](C)O[C@H](C)C1 1658980709 JHYXJROYLMTPFF-GVDBMIGSSA-N 281.484 4.695 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)CC1(C)CCC1 1659262821 QWEGYIISDOHFGI-UHFFFAOYSA-N 269.841 4.580 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCC)c1ccc(Cl)cc1 1659355244 PGYGMZKHZFKAMD-XJKSGUPXSA-N 263.812 4.573 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCc1cccc(C)c1 1659963266 DDTCLGLPYQAHCN-KRWDZBQOSA-N 273.464 4.898 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)CC(C)(C)C 1660014735 RLUAPHONHLIPPQ-DOTOQJQBSA-N 259.437 4.588 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 1660254567 UFMPSKVQFBMGJC-MKXGPGLRSA-N 269.432 4.515 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(CC)c(OC)c1 1664747093 SXJQWHLESMLYJD-CQSZACIVSA-N 261.409 4.804 30 10 CJEE C=CC[C@@H](CC)NC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1686285081 NPMXGQKFFGPLRJ-LSDHHAIUSA-N 294.483 4.587 30 10 CJEE CCCCCCC[C@H](C)Nc1nc(Cl)ccc1C#N 1877747239 DSFYEOZAUWABLJ-LBPRGKRZSA-N 279.815 4.768 30 10 CJEE Cc1ccc(N=C2N[C@@]3(CC[C@@H](C)C3)CS2)c(Cl)c1 1880888172 YWRNPDWPYPXBDW-IAQYHMDHSA-N 294.851 4.531 30 10 CJEE C=CCCCCCN1CC(C)(C)Cc2ccccc21 1884234625 DKZHLCSTPXZHNB-UHFFFAOYSA-N 257.421 4.822 30 10 CJEE CC#CCCCC[C@H](O)c1ccccc1C1CCC1 1885235082 FNGZTARAFRQOFU-SFHVURJKSA-N 256.389 4.571 30 10 CJEE CC(C)C1CCC(C=O)(CCC[C@H]2CC2(F)F)CC1 1885542989 PQBCYSFYZKTSFG-SLTAFYQDSA-N 272.379 4.843 30 10 CJEE C=C(CC)C[C@@](C)(N)c1oc2ccccc2c1CC 1886682075 VVUKNBBKCBNTHC-QGZVFWFLSA-N 257.377 4.525 30 10 CJEE CCCCCCCCN(C)C[C@H](C#N)C1CCCC1 1887041408 GYKXWTOPWQQPHS-KRWDZBQOSA-N 264.457 4.609 30 10 CJEE C=CCCN(Cc1ccccc1)CC1(C(F)(F)F)CCC1 1888691356 MLUWBRMXSUGRCB-UHFFFAOYSA-N 297.364 4.797 30 10 CJEE C=C[C@@H](N[C@H]1CCCC2(CCCCC2)C1)C1CCC1 1892935177 VPAYJHDVRCCVHV-DLBZAZTESA-N 261.453 4.824 30 10 CJEE C=C[C@H](CC)OCc1sc(Cl)cc1Br 1892989413 JZMNVKALAPQNHY-SSDOTTSWSA-N 295.629 4.645 30 10 CJEE C=CCCCCNCc1cccc(SC(F)(F)F)c1 1912939586 FYESKLOUMZKIGS-UHFFFAOYSA-N 289.366 4.744 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2C)C1 1913054500 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4.792 30 10 CJEE C=CCCCCCCCCCNCC1(SC)CC1 2086281218 RFDLMVBMRYVYFB-UHFFFAOYSA-N 269.498 4.778 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)C1 2089641393 XYYMDSJYPSMBCL-QYXWGXCQSA-N 262.437 4.844 30 10 CJEE C=CCSc1ccccc1NC1CC(C2CCC2)C1 2089761796 KODNYQXZGDZHTL-UHFFFAOYSA-N 273.445 4.955 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1C[C@@H](N)C1 2090161253 MFZIFRWMEOVMKK-IYBDPMFKSA-N 267.457 4.604 30 10 CJEE C=CCCC[C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2090614451 FFPARGIPZVJGDR-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)C1CCCCCC1 2093458352 UUXVXBBBCYCOOS-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C[C@@H]1CC[C@H](OC[C@H](CS)c2ccccc2)[C@H](C)C1 2096179786 PCWHNFZDGQNLIH-SRABZTEZSA-N 278.461 4.541 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCC[C@H](C(F)(F)F)C1 2098391160 KSRNZDDKDYTVJW-HZSPNIEDSA-N 277.374 4.819 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)[C@H]1CC12CCCCC2 2100555048 MKSJDFRCISJJNA-DOMZBBRYSA-N 274.795 4.614 30 10 CJEE C=CCC[C@H](C)Oc1cccc(Cl)c1CNC(C)C 2102101459 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272.388 4.651 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1c(C)n[nH]c1C 2164102010 MHCRNFRHVSACFK-MRXNPFEDSA-N 279.472 4.818 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(C(C)C)[nH]n1 2164135213 MJKQDRSAWXJPMK-HNNXBMFYSA-N 279.472 4.934 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(OC2CC2)c1 2164229159 QWBYIPXZOGLYFN-GOSISDBHSA-N 273.420 4.625 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(OC)ccc1C 2164269232 IZLOEOQKNIDVFX-QAPCUYQASA-N 275.436 4.647 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1[C@@H](C)C1(F)F)NN 2164494748 XVVIAGJJNCOERN-KFWWJZLASA-N 290.442 4.640 30 10 CJEE N#CC1(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)C[C@@H]2CC[C@H](C1)S2 2166061863 FUJJQHAGLQHNHF-PEONVUOVSA-N 297.414 4.626 30 10 CJEE CC(C)(C)c1ccc([C@H](O)[C@@]2(C#N)CCC23CCC3)s1 2166796557 DGLKSDQHRCUTBC-YOEHRIQHSA-N 289.444 4.553 30 10 CJEE C=CC1(CN(C)Cc2cc3c(s2)CCCCC3)CCC1 2168017212 NQHSSENIGPGXKZ-UHFFFAOYSA-N 289.488 4.805 30 10 CJEE Cc1ccc(N(C)[C@H](C)[C@@H]2CCC[C@H](C)C2)c(C#N)c1 2168526856 NBGYLAMAEYQCOK-NUEKZKHPSA-N 270.420 4.518 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@](C)(CC)CC[C@H]1NC 2171358574 OVCXOSUFHMIIAK-KURKYZTESA-N 283.500 4.920 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CC(CC)(CC)CC[C@@H]1NC 2171363000 YUBZBGPCXBQDRM-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CC1(CNC[C@@H](C#N)C2CCCCC2)CCCCCC1 2172658761 TZMWENBOMBDFGA-QGZVFWFLSA-N 276.468 4.657 30 10 CJEE CCC(C)(C)c1ccc(C#CCCNC(C)(C)C)cc1 2176144078 KCZJVRZRAWHCCH-UHFFFAOYSA-N 271.448 4.504 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1CC(C2CCC2)C1 2176774788 NUSXKCGVOOUDPX-CTWPCTMYSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2C[C@@H]3C[C@H]3CO2)CC1 2179414760 FARKUENSKBUUAR-DSXPZYJUSA-N 275.436 4.548 30 10 CJEE C=CCCCC[C@H](NCC)C1(O)CCCCCCCC1 2179679477 HGMBIUFNWVGBLU-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2181633717 AJQRGZSIMMTCGD-SYQHCUMBSA-N 282.374 4.619 30 10 CJEE CC1CCC2(CC1)CCN2CC1(CS)CCCCCC1 2182816086 XYRQWFLGGUDHBJ-UHFFFAOYSA-N 295.536 4.911 30 10 CJEE C=C(C)CN(c1ccc([C@H](C)NCC)cc1Cl)C1CC1 2186483517 MVNXMUNEKYJNRS-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCOCC12CCC2 2189775608 BQXSXADYZDIRTI-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CO[C@H]1C[C@@](C#N)(CC2CCC(C)(C)CC2)C12CCC2 2190410358 SYRQABGAVUWQDD-DOTOQJQBSA-N 275.436 4.692 30 10 CJEE CC(C)=CCC[C@@](C)(O)[C@@]1(C#N)CCCC(C)(C)CC1 2190487983 RESXOGLPWMHUIB-MSOLQXFVSA-N 277.452 4.984 30 10 CJEE CCCCCCCCC[C@H](CC1(C(C)(F)F)CC1)NN 2191313066 DFLIIDDAAOGSCC-CQSZACIVSA-N 290.442 4.785 30 10 CJEE CC[C@H]1CC[C@H](CNc2cc(Cl)c(C#N)cc2F)CC1 2192856644 OEYHSSQCTOUJJE-HAQNSBGRSA-N 294.801 4.979 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@@H]1CCCCO1 2195487534 RODGDZMMVWGVLN-ROUUACIJSA-N 281.484 4.771 30 10 CJEE CC#CCCCC[C@@]1(N)CCCC[C@H]1c1ccccc1 2196212550 DMSPFPAAKTXRPR-RBUKOAKNSA-N 269.432 4.625 30 10 CJEE C#CC[C@H](CC1(CNCC)CCCCCCC1)C1CC1 2196852874 DWMCZCRWSNQMRR-GOSISDBHSA-N 275.480 4.766 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1cc(C)ccc1Cl)C1CC1 2196859862 WHWPAMZYJWKQGR-YJBOKZPZSA-N 289.850 4.739 30 10 CJEE C=C(c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)NCC 2197142224 NSDWJFXSPULQDR-GOSISDBHSA-N 285.818 4.574 30 10 CJEE CCC(=NO)c1cccc(OCC(C(C)C)C(C)C)c1 2197417829 LKBUAKMMAFTZBU-UHFFFAOYSA-N 277.408 4.582 30 10 CJEE CCCCCCCCCCOC[C@@]1(C)CNC(C)(C)C1 2199535828 ODCACOVUCMOBHC-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCC[C@@H]1C[C@@H]1CNc1ccc(C#N)c2ccccc12 2200084686 VJCUUYJPFPNRPM-UKRRQHHQSA-N 264.372 4.560 30 10 CJEE Cc1cc(N[C@H]2C[C@@H]2C2CCCCCC2)ccc1C#N 2200176659 DVNZWOJCSGJZJE-MSOLQXFVSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)[C@H]1C[C@@H]1CCC 2200397757 GEKBNTMCVZSKIC-XLAORIBOSA-N 283.500 4.642 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(C)c(C)cc1C 2203808705 ZDKOEYPYCIPLCI-LJQANCHMSA-N 271.448 4.846 30 10 CJEE CCCCC#CC[C@@](C)(N)C12CC3CC(CC(C3)C1)C2 2203819176 LARCNYYJVMKVCQ-GSBYPIHSSA-N 273.464 4.504 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@]1(C)C[C@@H]1C(F)(F)F 2203834753 SIBPFBGZWMEIQC-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=CCCCCCC[C@H](O)c1cccc(C(F)(F)F)n1 2206891320 KNPLPGBQLWEJOY-ZDUSSCGKSA-N 287.325 4.660 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc2ccncc2c1 2206899354 XHLOKOXQEVIMDE-GOSISDBHSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1CC[C@@H]1COC 2207421920 VXPFHUVAQNAHIP-QZTJIDSGSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](N)C[C@H]1CC[C@@H](C)O1 2207430251 SCGJWABOQJXWEL-FGTMMUONSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2207433935 DADKMNZJGXJJOA-CBZIJGRNSA-N 280.452 4.922 30 10 CJEE C=CCCCCCCCCCNC12CCC(CC1)OC2 2207440838 ZBMCEMHXDPKNNO-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE CC(C)P(=O)(CCCCC(C)(C)C#N)C(C)C 2212792615 XUWVNCOIKACQAG-UHFFFAOYSA-N 257.358 4.886 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@]1(C)CC=C(C)CC1 2215815280 GONQQROPIBLKNO-HUUCEWRRSA-N 255.833 4.634 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CC[C@H]1C(F)(F)F 2217760473 BAQMBENEIDTOOW-RWMBFGLXSA-N 265.363 4.653 30 10 CJEE C=CCCCCCCC[C@@H](N)c1sc(C)nc1C 2220089269 PKEJCIJMTRFJOH-CQSZACIVSA-N 266.454 4.676 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCCCS1 2220090496 XFUWBVZJHVBERG-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]12CCCC[C@H]1C2 2220090699 CRUOJWXZGDLKQA-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCN(C)[C@@H](C)[C@H]1CC1(C)C 2220092714 MHRSAFYJQVBNNO-JKSUJKDBSA-N 251.458 4.879 30 10 CJEE O=C(C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)C1=CCCC1 2225382323 QIERCMNUOWVBRQ-DEZZGGKRSA-N 268.347 4.518 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCC[C@H](OCC)C1 2227270070 DBVCTJNTHKMSNW-DLBZAZTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccncc1C 2227272111 CHAIIPIUNHRCAS-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1CCOC(C)(C)C1 2227283942 PLIXUKLASYKYRI-HNNXBMFYSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC(=O)c1cc(C)nc(C)c1 2227289650 AXKXSEMUTRVQIS-UHFFFAOYSA-N 259.393 4.798 30 10 CJEE C=CCCCCCCCC[C@@H](CCCC(F)F)NN 2230045626 VTTNRCLHNAYYBC-AWEZNQCLSA-N 276.415 4.561 30 10 CJEE CCCCCCCCO[C@H](CN[C@H](C)CC)C(C)C 2230216429 SVFRGVOLKTWEPD-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE CCCC[C@H](CC#Cc1cccc(Cl)c1)NCCC 2231014030 CNOSUPPDAYCTDT-QGZVFWFLSA-N 277.839 4.640 30 10 CJEE C=C[C@@](C)(CNC1CCC1)Cc1ccc(Cl)c(C)c1 2231557448 DMSGBRIDNDAHIQ-QGZVFWFLSA-N 277.839 4.525 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc3ccoc23)CC1 2232399352 LPBSOHOFVOBRAT-LBPRGKRZSA-N 254.329 4.752 30 10 CJEE O=C(CC#CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233609109 CVMPYXNYWNHBQL-PIIMJCKOSA-N 272.432 4.746 30 10 CJEE C#C[C@H](CC(C)C)NCc1cc(-c2ccccc2)cs1 2234701218 BCJYCJNUUMWNFQ-QGZVFWFLSA-N 283.440 4.553 30 10 CJEE C=CCCCCCCCC[C@@H](O)CCC[C@@H](N)C(C)C 2235366346 VEYCNEIUSWYENR-QZTJIDSGSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@H](O)CCC[C@@H](N)C(C)C 2235366348 VEYCNEIUSWYENR-ZWKOTPCHSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cccnc1C 2235523321 DRUOAVADQVKKGP-GOSISDBHSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCN1CCC(OCCCC)CC1 2235533801 CVHXLWQOOOUYAA-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(CC)ccc1N 2235535087 MBHWXBKUNPOPHM-SFHVURJKSA-N 275.436 4.781 30 10 CJEE C=CCCCCCCC[C@H](CC(C1CC1)C1CC1)NN 2235536943 ZWDKSGBRZWOGSF-QGZVFWFLSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C1CCCC1 2235542449 SGWRKTXPUYTXPD-KURKYZTESA-N 278.484 4.561 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(Cl)c(OC)c2)CC1 2235874247 VQOIDUJCLWQYDW-ZDUSSCGKSA-N 293.838 4.746 30 10 CJEE CCCCCCC[C@@](C)(OC[C@H]1CC=CCC1)C(=O)O 2236081360 YRBYWYIGVFAKBN-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)CC1(F)CCC1 2236226247 KNPYWZKQHSHFOP-QGZVFWFLSA-N 279.443 4.611 30 10 CJEE C=CC[C@@H](C)OC[C@H](NCCC)c1cc(F)cc(Cl)c1 2238003786 MORYDEKNIMIQJR-WBMJQRKESA-N 299.817 4.501 30 10 CJEE C=CCC(C)(C)COCc1ccc(CN[C@H](C)CC)s1 2238947887 KCFKBHMKEJLCGJ-CQSZACIVSA-N 295.492 4.755 30 10 CJEE CC(C)[C@@](N)(C#N)CCCSCCCCCCC1CC1 2239358167 INFXJXQKWGJLIA-KRWDZBQOSA-N 296.524 4.737 30 10 CJEE CCN[C@H](C#Cc1ccc(Cl)cc1)C(C(C)C)C(C)C 2239457705 VXEHQIWLVSYJOS-QGZVFWFLSA-N 291.866 4.598 30 10 CJEE CCCc1ccc(C#CC(=O)[C@@H](CCC)C(C)C)cc1 2239755344 QUZKRFZABMMOHE-SFHVURJKSA-N 270.416 4.632 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@H]1CCC1(C)C 2240574129 PAXUUVVJQVTGEO-WMZOPIPTSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(F)c(OC)c1 2240610250 AGYGSQNMUBNAAS-QGZVFWFLSA-N 282.399 4.792 30 10 CJEE O=C[C@@]1(Cc2ccc3occc3c2)CCCCC12CC2 2241182844 YWDBVGKANHECJP-SFHVURJKSA-N 268.356 4.515 30 10 CJEE C=C(C)CCCC[C@@H](O)c1snc(Cl)c1Cl 2244642507 SGPSRIZBEBMNFJ-MRVPVSSYSA-N 280.220 4.620 30 10 CJEE SCCCCCCCSC[C@@H]1CC12CCC2 2245902313 IHCTXZSLQLKAQN-ZDUSSCGKSA-N 258.496 4.790 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2cocc2Br)CC1 2249441352 WYSFYJANRZBMEF-SNVBAGLBSA-N 297.192 4.607 30 10 CJEE C=CCCCSc1c([C@@H](C)O)ccc(Cl)c1F 2250014385 ADDHNDXQYYMYKM-SECBINFHSA-N 274.788 4.591 30 10 CJEE C=CCCCSc1cc(C)c(CNCCC)s1 2250062920 SIEYGZABAQCXMN-UHFFFAOYSA-N 269.479 4.614 30 10 CJEE C=C(C)CCCCC[C@@H](O)c1ccc(Cl)cc1 2250158161 FQSNWSYSYOJEQD-OAHLLOKOSA-N 252.785 4.900 30 10 CJEE SCCCCCCCO[C@H]1CCCC12CCC2 2252618156 DXDJNDLFCHBBQM-AWEZNQCLSA-N 256.455 4.606 30 10 CJEE CC1(C)CC[C@@]1(C#N)C[C@@H]1CC(F)(F)C12CCC2 2254981943 WNBKKALLYCPVHP-YPMHNXCESA-N 253.336 4.532 30 10 CJEE C[C@@H]1CC[C@H](COCC2(CS)CCCCCC2)C1 2255980084 BWGLLHIGYLCXNQ-CABCVRRESA-N 270.482 4.710 30 10 CJEE C=CCCCCCCCSC(C)(C)CC(=O)OC 2258988169 OCSMPBQMONTRHU-UHFFFAOYSA-N 272.454 4.588 30 10 CJEE C=C(C)CCCC[C@H](CSc1ccccc1)NC 2259196452 JXUONZDEMWFDAQ-OAHLLOKOSA-N 263.450 4.503 30 10 CJEE C=C(C)CCCCC1(O)CCC2(CCCC2)CC1 2259204635 FZYGLFRAZPEFFC-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=C(C)CCCC[C@@H]1CCC[C@@H]1CNCC(C)C 2259231292 HRZFLEQQJQMDHD-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@H](CCCCCC)OCCN 2262573420 QQRAXCGRIQBSOO-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCCCCS 2263205918 MVUQSYZBRKGAGV-BZUAXINKSA-N 269.498 4.520 30 10 CJEE Cc1ccc(CC2(C#N)CCC3(CC2)CC3)c(F)c1 2266779476 JUUZVRXKHWNPCY-UHFFFAOYSA-N 257.352 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)C1(C)CCCCC1 2268727570 DCYRWQQTLHBPCD-SFHVURJKSA-N 262.437 4.704 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C[C@H]1CCC12CCC2 2268764895 DYTLLZUTROGSBL-OAHLLOKOSA-N 258.405 4.522 30 10 CJEE CC(C)=CCC[C@@H](C)CCOCC1(C#N)CCCC1 2269624042 RPUHAAGOULENCG-MRXNPFEDSA-N 263.425 4.860 30 10 CJEE C#CC1(N2CCCCCC2)CCC(CC)(CC)CC1 2270455960 ASCZCNPRGHSUQC-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=CCCCCCCCSCc1ccoc1C(=O)O 2271487369 AEYGCSZKSDIJJR-UHFFFAOYSA-N 282.405 4.738 30 10 CJEE CCCN[C@H]1CCCCC[C@@H]1C#CC1CCCCC1 2273991321 DRCUWFZTPZACCN-MSOLQXFVSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C1CCC1)OCCN 2276239572 RZFBLZXOTWLLNW-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](OCCCN)C(C)(C)C(C)C 2277214881 ABUKXUXEQMGZPD-MRXNPFEDSA-N 271.489 4.763 30 10 CJEE CC[C@H](C[C@@H](O)C#Cc1ccccc1Cl)C(C)(C)C 2277841674 QKVLOHKASXPSEE-CABCVRRESA-N 278.823 4.515 30 10 CJEE CCCC[C@H](CC)CSCC[C@@](C)(C#N)NC(C)C 2278260757 MAVBHKCLLAKFLJ-HOTGVXAUSA-N 284.513 4.606 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1CC(F)(F)C12CCC2 2280907286 UJAYQEKPRIPNFG-HNNXBMFYSA-N 285.422 4.880 30 10 CJEE C[C@H](NC(C(C)(C)C)C(C)(C)C)c1cccc(C#N)c1 2281572939 OHLXTAJVAQNZPO-ZDUSSCGKSA-N 272.436 4.670 30 10 CJEE Cc1c(Oc2cc(Cl)ccc2C#N)ccnc1C(F)F 2283122165 VMWGPIDUBWXWSM-UHFFFAOYSA-N 294.688 4.645 30 10 CJEE CCCN[C@@](C#N)(CCCSCCC1CCC1)C(C)C 2285656525 UUGMAHJLMUXNSD-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C[C@@H]1CC[C@@](C=O)(CCCCCCCCCCCO)C1 2286832748 XROZYGYVBRYQMA-MSOLQXFVSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCCC12CCCCC2 2287379044 NMWYHMZYDIPLON-SFHVURJKSA-N 278.436 4.558 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(C)nc(C)c1 2287466521 HQJMOXOGYDIDQK-SFHVURJKSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCC1(C(=O)O)CC2(CC(F)C2)C1 2287733375 WYIFRDLQYMMXOZ-UHFFFAOYSA-N 282.399 4.886 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(C)cnn1 2288609727 QEHWIDSWEOMEGN-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CC1(C)CCC(C)(C)[C@H](NC[C@H](C#N)C2CCCC2)C1 2290338457 GFJSYSGKEJDQJL-JKSUJKDBSA-N 276.468 4.511 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H](CC)C(C)C 2290877297 HQIPJNRURMCWER-CVEARBPZSA-N 286.456 4.889 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)C1(C)CC(C)C1 2290878598 VOYDEUKWEZMCLZ-ISXOHVOVSA-N 284.440 4.643 30 10 CJEE C=C(CC)C[C@H](OCCC(=O)O)c1ccc(C)c(Cl)c1 2291141411 KMZCHNOTSYTUOL-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCCCCCCC1(OCC(=O)O)CCCCCC1 2291304276 CIFLJQYZTIDWSK-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@](CC)(CCCC)OCCC(=O)O 2292730675 IMKHYOPFNXTRMM-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@](CC)(OCCN)[C@@H]1CC1(C)C 2292796119 FUJKGEPHOOWWLY-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@H](OCCCN)c1ccc(C(C)C)cc1 2292890790 FQKMRVGYBAGXHV-SFHVURJKSA-N 275.436 4.573 30 10 CJEE CCCCCCC[C@](C)(CCCC(F)(F)F)OCCN 2293179998 AAPKPCMVYVSAOM-CQSZACIVSA-N 297.405 4.814 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1sccc1C 2293239663 DSWKYQCKUVBIFC-QGZVFWFLSA-N 297.508 4.998 30 10 CJEE C=CCC[C@@](CC)(OCCCN)C1CCC(C)(C)CC1 2293445523 WDEACUCKVLEXBX-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@@H]1CCCC[C@H]1CC 2293575406 XMYBHCMZZRPDPA-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H](C)[C@@H](C)C1 2293718735 YYSPPTBARVQCJH-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@H](OCCN)C1CC(C)C1 2293732494 XGCBTCWWGUQBRC-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCC[C@@H](CC1CC1)OCCCN 2294020620 HWZGCDNAIOPRGI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCCC2(CC2)C1 2294034827 BDWUDUNGORPKQE-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1C1CC1 2294454518 COUYTLUDAMALKM-KURKYZTESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](CC(F)(F)F)CO1 2295534265 PQPGCUYTVVXLLX-UONOGXRCSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1cc(C)ns1 2295595694 BNVTZQYLNCEISO-INIZCTEOSA-N 297.464 4.526 30 10 CJEE CCCCCCCCC[C@@H](C)NCC12CC(CCO1)C2 2295680330 YBMXGCSYUIDQFY-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CCCC[C@H](CC)CSCC[C@H]1CCC[C@]1(C#N)NC 2295764361 RVSCYZSTROZNDH-GVDBMIGSSA-N 296.524 4.608 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cc(Cl)sc1C 2300182393 FNBOWYFZGMJHNU-YPMHNXCESA-N 269.841 4.544 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccccc1Br 2304041996 SBMJGOSGGYKFJO-AWEZNQCLSA-N 296.252 4.702 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(F)cc1Cl 2304079897 ZNSAROJAUNPDBC-AWEZNQCLSA-N 254.732 4.654 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Cl)o1 2316737711 AAQZTNGWAHPZTR-HNNXBMFYSA-N 267.800 4.742 30 10 CJEE CC1(C)CC[C@H](CC2(C=O)CCC(F)(F)CC2)C1 2319037136 ONKKBWHXPSPCEM-LBPRGKRZSA-N 258.352 4.597 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(C=O)CCCC1(C)C 2320315264 MXPVOFIGMGCLNZ-CKEIUWERSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(F)c(C)c1Cl 2321135275 UEJPNDZPMDWTEV-AWEZNQCLSA-N 269.791 4.650 30 10 CJEE CSc1cc(Nc2ccccc2Cl)ccc1C#N 2328540666 SSSUFULMFFXOMP-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCC(=NOCc1ccccc1F)c1ccc(Cl)cc1 2330252070 YOBPXUGMUHFDFQ-UHFFFAOYSA-N 291.753 4.810 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H]1CCC[C@H]1C(F)F 2334484043 BKTISDQOPOYDLX-HZSPNIEDSA-N 273.411 4.638 30 10 CJEE C=C1CC([C@@H](NCCC)c2c(F)ccc(C)c2Cl)C1 2335565245 ZXOYPFRJTBLZPO-MRXNPFEDSA-N 281.802 4.794 30 10 CJEE CCCCCCCCCCC[C@@H](C#CCSC)NC 2336190571 SZYQWQVFEDSNGD-KRWDZBQOSA-N 283.525 4.862 30 10 CJEE CCCCCCCCCCOCCC[C@H]1C[C@@H]1CN 2337490885 KKBMIDGQWPSDRD-DLBZAZTESA-N 269.473 4.519 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(F)ccc1C(F)F 2338268809 DKLMQEJKFMNDJY-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(F)ccc1C 2338740935 JVNVKMZFRUZQFC-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCCCC12CCC2 2338743928 KCFDBUFIMLBRKU-SJORKVTESA-N 261.453 4.703 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CCCC2=CCCCC2)C1 2341040964 KBWLJDLPNGSAEY-IRXDYDNUSA-N 261.409 4.756 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NCCC 2344347622 CSXSCUJUALKHAM-NCOADZHNSA-N 263.469 4.783 30 10 CJEE CC1(C)CCC(C=O)(CCC2(C(F)(F)F)CC2)CC1 2344788752 IKTONZIKXLGYGR-UHFFFAOYSA-N 276.342 4.895 30 10 CJEE Cc1cc(Cl)c(C#CCCCCCCCO)c(Cl)c1 2353035957 MMDZXSWIYBZHKL-UHFFFAOYSA-N 299.241 4.986 30 10 CJEE CSc1cc(O[C@H](C)C2CCCCC2)ccc1C#N 2353833281 BVRBDQZLKYDIOG-GFCCVEGCSA-N 275.417 4.628 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC[C@@H]1C[C@@H]1C)NC 2358710174 XHEYMTPJARKPHN-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NN 2359623936 RAKRUCFKDJWBNJ-XWTMOSNGSA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C)c2ccccc2[C@@H]1N 2360199658 AIZHYOZWNUYZFJ-VHSSKADRSA-N 287.472 4.816 30 10 CJEE C=CCC(CC=C)NCC1C[C@@H]2CCC[C@H](C1)C2(F)F 2360205300 LKTCFOHTRNWVRF-GOOCMWNKSA-N 283.406 4.558 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@@H](C)CC1CC1 2360334791 VSKBXNWLOUTLEN-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)C1CC2(CCC2)C1 2360339641 KRKOSKNXOFQMRW-QGZVFWFLSA-N 293.520 4.799 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@H](C)CC)c(OC)c1 2360367106 VDICLOCDKRCRQC-KGLIPLIRSA-N 293.476 4.640 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(C#N)cc2)c1 11897422 HPAUSGLQIWRRMY-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE Cc1ccc(-c2[nH]c3ccc(Cl)cc3c2C#N)cc1 19724793 HQUMZURDPAABGQ-UHFFFAOYSA-N 266.731 4.668 30 10 CJEE CC(C)c1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 35224480 WIBJKUYISHPYTC-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)cc2)c(F)c1 36886944 IAKUMZSBOHGXFX-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)c2ccc(Cl)cc2)cc1 37348000 DCDGMEVBFJARQH-KRWDZBQOSA-N 297.785 4.953 30 10 CJEE CCc1ccccc1OCCC[C@@H](C#N)c1ccccc1F 57686458 KWEIQTTXBUBJOF-INIZCTEOSA-N 297.373 4.854 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)CCCc1ccccc1 57696531 HTAHQELAOSIJGI-KRWDZBQOSA-N 279.383 4.634 30 10 CJEE CCCCCCCC(=O)c1cn(C)c2ccccc12 59211597 RIAWTTXHDQNJAT-UHFFFAOYSA-N 257.377 4.722 30 10 CJEE Cc1cc(Cl)ccc1Oc1nc2ccccc2cc1C#N 71390566 SSDTZURUXKGFLV-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(C)c1 83192940 APHGQLYJALJALN-FMIVXFBMSA-N 280.367 4.598 30 10 CJEE CC(C)COc1ccc(C(=O)/C=C/c2ccccc2)cc1 83204718 XUXCTPUCKFBNFI-MDWZMJQESA-N 280.367 4.618 30 10 CJEE N#CC1(c2ccccc2Cl)CC2(CCCCC2)C1 86537848 MQEZXBDVDSEMNT-UHFFFAOYSA-N 259.780 4.846 30 10 CJEE C[C@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)CC1 86891566 OVCSETUDQMXGMK-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CC[C@H](C)C[C@H](C#N)N=C(c1ccccc1)c1ccccc1 90372976 UJKFTLCAIIOUHN-QFBILLFUSA-N 290.410 4.852 30 10 CJEE CCC[C@@](O)(c1ccccc1)C1(C#N)CCC(CC)CC1 91878248 LUXNLNUFUQIBNO-NKELODKYSA-N 285.431 4.784 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1ccccc1F 94580584 CPUXXYHUZFUMSR-UHFFFAOYSA-N 297.483 4.774 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(C)c2ccccc2n1 97816821 UIGKOZJPFKSDMJ-GOSISDBHSA-N 282.431 4.940 30 10 CJEE CCCCCCCCCCCOC(=O)c1cccnc1 100311916 OWEZDQWMGDOLFG-UHFFFAOYSA-N 277.408 4.769 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)O)cc1OC 102609707 ASKXCGPZYLJMPQ-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C#N)cc1Cl 104184805 BRIONZVRHVSZHI-GXTWGEPZSA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@H](N)c1nc(C(C)C)cs1 104438053 MCNQTEUVKJLKDL-LBPRGKRZSA-N 254.443 4.627 30 10 CJEE CCc1cccc(CC)c1N[C@H]1CCCCC[C@@H]1C#N 110168376 PGWFPTSBOJBHLE-SJORKVTESA-N 270.420 4.696 30 10 CJEE C[C@@H]1Cc2ccccc2N(c2cc(Cl)ccc2C#N)C1 110259475 SJCBLXUAXFTYKE-GFCCVEGCSA-N 282.774 4.542 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NC)c(Cl)c1 112735235 GZWBZRGCMOBSEH-ZDUSSCGKSA-N 283.843 4.970 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NCC1(CC)CC 115231343 GWNDOOLPNYPGPN-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc2c(c1)OCO2 115652100 JRLVZSCSQGCREZ-MRXNPFEDSA-N 292.419 4.980 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCCC)[C@H](C)C1 129391125 NODGNODSLWLINW-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)cc1CC 132030243 WOJYSLRVXWTBRU-LLVKDONJSA-N 282.225 4.778 30 10 CJEE CCCCCCCCCCNCCOC(C)(C)C 133020791 WYTIXIWHDZNYIF-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CC(C)(CCc1ccccc1)Nc1cccc(F)c1C#N 133756639 AAZJPBODWBIEIS-UHFFFAOYSA-N 282.362 4.521 30 10 CJEE CCCCCC[C@H](C)Oc1c(F)cc(C#N)cc1F 134003375 DTYFAHFANBFFSI-NSHDSACASA-N 267.319 4.574 30 10 CJEE CC(C)[C@H](Nc1ccc(C#N)c(F)c1)c1cccs1 135245313 YVQBQLKXVCCRCO-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE CCSc1cccc(OCCCc2ccccc2)c1C#N 136716260 LRXYRJZZZOFYGF-UHFFFAOYSA-N 297.423 4.682 30 10 CJEE CCCCCCC[C@@H](NC)c1ccnc2ccccc12 139549115 SFHNYWOHWWLKRM-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE CCCCCCCCCNC[C@@H]1CCCCS1 158195151 XRXNXWVFFOLWIH-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1cccc(Br)c1C#N 168558698 YQURVVXWQCQWEP-WDEREUQCSA-N 295.224 4.557 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C)c1ccccc1Cl 221027582 VZAQGXBTMCMPRD-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc(Cl)c1Cl 221139496 RKXGTYSWWPRWIA-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 228818647 IEJJURYJPOHOSR-GJZGRUSLSA-N 259.437 4.989 30 10 CJEE CCc1nc(C)ccc1OCCCCCCCCCS 232207279 SEKORNWXEDRLSX-UHFFFAOYSA-N 295.492 4.992 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(Br)c1 232515214 STKPJGSGTMRPKR-UHFFFAOYSA-N 295.224 4.581 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccc(Cl)cc2)cc1C 235836501 VVLGXWOUUYQNCW-KRWDZBQOSA-N 284.790 4.942 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(OCC)cc1 312386620 FPABUYLAQHBDNZ-INIZCTEOSA-N 275.436 4.872 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(C(C)C)cc2)C1 316899389 XLCPJBKINYMRTE-MAUKXSAKSA-N 258.405 4.748 30 10 CJEE Cc1ccc(F)cc1CC1(C=O)CCC(C(C)C)CC1 316902650 UJQFCVACEJVKKA-UHFFFAOYSA-N 276.395 4.708 30 10 CJEE CSCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 319826299 CJPLPCLDIICEKA-ARFHVFGLSA-N 291.485 4.559 30 10 CJEE SC/C=C\CSc1ccc(Cl)cc1Cl 322621608 NSPFZYFUZXMBST-UPHRSURJSA-N 265.230 4.572 30 10 CJEE CCCCCCCC1(CNC(C)(C)C)CCC(O)CC1 380281767 BMWUUJSUZCOQOZ-UHFFFAOYSA-N 283.500 4.656 30 10 CJEE N#CC1(c2ccc3ccccc3n2)CCCCCCC1 380556331 YMNIVEPWRYRPQG-UHFFFAOYSA-N 264.372 4.740 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@H](CNCC(C)C)O1 382198747 LREDUJZKXLXCPR-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](O)Cc1csc(Cl)c1 382257800 KKSVTDPXQNHQNC-GFCCVEGCSA-N 260.830 4.665 30 10 CJEE C=CC[C@@H](CC)N[C@@H](c1cccs1)C1CCCC1 393830022 UWUDTJQCIUSAHC-GDBMZVCRSA-N 263.450 4.924 30 10 CJEE CCC1CCC(C=O)(C[C@H](C)CC(F)(F)F)CC1 402508890 GWVJPROGBUCMAF-HIFPTAJRSA-N 264.331 4.751 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@](C)(C=O)c1ccccc1 405565750 VCWNFDWFCVZJBV-TZMCWYRMSA-N 272.310 4.512 30 10 CJEE C=CCC(CC=C)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 561274566 FGGXWMFRFJTTAB-VQIMIIECSA-N 297.442 4.755 30 10 CJEE N#Cc1cccc([C@@H]2CCCCCN2Cc2ccccc2)c1 616623234 LUOPFCKNMIOZGS-FQEVSTJZSA-N 290.410 4.676 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(Cl)ccc1OC 686693282 MAXRONMNJWRFPL-INIZCTEOSA-N 293.838 4.583 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)CC2CCCCC2)C1 689822999 RNCLODXDZMVGJN-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1Cl 691051624 DBTPWZQRQHVZSX-DZGCQCFKSA-N 276.811 4.982 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(C#N)Nc1ccccc1F 691085895 DSYMVDDDDOVDSJ-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc2ccccc2s1 692226794 JBDPKTSXILWXHK-OLZOCXBDSA-N 272.417 4.843 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@@H]3CCCC[C@H]3CS2)CC1 697621689 BVXQJFRNFALBNG-SOUVJXGZSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCSC1=NCCCCN1 700064545 OBMAVDMRSDKKFW-UHFFFAOYSA-N 270.486 4.600 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCOC1(C)C 703438670 VTURPFPBMPRQNM-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCn1c(S)nc2c(OCC)cccc21 703733002 IIGBZQUXWIDZFM-UHFFFAOYSA-N 292.448 4.694 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1ccc(OC)cc1 703996981 ZGFBXQMCUYTVJF-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCCCC[C@H](CN)COCC 704125609 JDODGJQYGYFGTO-QGZVFWFLSA-N 271.489 4.909 30 10 CJEE C[C@]12CCCC[C@H]1CN2CC1(CS)CCCCCC1 707180845 CMJZIEXOUVNUQT-HOTGVXAUSA-N 281.509 4.521 30 10 CJEE CCCCCCCCCCN1CCC[C@@](O)(C(C)C)C1 710267582 KRFXATPEDNBOSN-SFHVURJKSA-N 283.500 4.610 30 10 CJEE C=C(Cl)C[C@@H](CSc1cccc(Cl)c1)NCC 710555389 DPNOSAMTNFFCBH-LBPRGKRZSA-N 290.259 4.553 30 10 CJEE CC1(C)CCN([C@@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 711058920 IFAXJHGNDBSNES-JKSUJKDBSA-N 276.468 4.607 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 715790065 SYXWPANKIFVDLX-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1/N=C1/NC2(CCCCC2)CS1 717524482 KXAKDMOSDOSCNJ-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE C=C1CCC(CNc2ccc(OC(F)(F)F)cc2)CC1 724560236 SVAIGRWSCZXZBJ-UHFFFAOYSA-N 285.309 4.744 30 10 CJEE C[C@@H]1CCCCC[C@@H]1/N=C1/N[C@@H](C2CCCC2)CCS1 725079381 AITIFKHRHVGFAL-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](N)c1cc(Cl)c(Cl)cc1C(F)(F)F 725414378 KNXXRUBQSCIHKY-SNVBAGLBSA-N 284.108 4.588 30 10 CJEE c1ccc(-c2ccc(/C(=N/OCC3CC3)C3CC3)cc2)cc1 821228682 FMUUFUVBEWROQU-MRCUWXFGSA-N 291.394 4.894 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCCCCCC1 1130904173 IFTUEZPEIDFOQE-RDJZCZTQSA-N 277.452 4.598 30 10 CJEE C=CCC1(NCCSCc2ccccc2)CCCCC1 1175372629 WVMBTWQCCFKMCV-UHFFFAOYSA-N 289.488 4.788 30 10 CJEE C#Cc1ccc(NC2CCC(C)(C)CC2)c(Cl)c1 1184098391 XBLSGQMCBAERKY-UHFFFAOYSA-N 261.796 4.702 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@H]2CCCC[C@@H]2C)c(Cl)c1 1184098604 ZKWGHYIQMGNNQK-GUTXKFCHSA-N 275.823 4.948 30 10 CJEE C=CCCCCCCCNc1ncccc1Br 1186639669 LZEDVRXUIVLKBR-UHFFFAOYSA-N 297.240 4.783 30 10 CJEE C=CCC1(NCCC2C[C@@H](C)C[C@H](C)C2)CCCC1 1196149780 HFKUYURBUCEYHZ-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@H]1c1ccccc1Cl 1206286546 LZLNGXIPFJVUDL-GOEBONIOSA-N 263.812 4.532 30 10 CJEE C=CCC(C)(C)CNC(=O)N(CCC)CC1CCCCC1 1229050511 BIGHZTPGNWGBCT-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C#CCCCCCC(=O)NCC1CCC(C(C)(C)C)CC1 1265924072 GSEITTQKUAOGCN-UHFFFAOYSA-N 291.479 4.539 30 10 CJEE C=CCC1(NC[C@@H](CC)CC(F)F)CCCCC1 1308003238 SVCZKYBDAHXGSF-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cc(Cl)ccc1F 1308584951 LLQFLDPRAXPLHX-UHFFFAOYSA-N 289.781 4.667 30 10 CJEE C=CC1(CC(=O)Oc2ccc(Cl)cc2F)CCCCC1 1351622616 LGHXHHHZBJGZOH-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCCCCC(C)C)c1 1359978603 DFLWAPHZOVQICH-UHFFFAOYSA-N 285.431 4.627 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C)c1ccccc1 1456640203 GHDKIYIRWXEAIE-UOVPBQLFSA-N 286.415 4.714 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H](C)c1nc2ccccc2o1 1459485502 MBJFQABHJPPNSK-HNNXBMFYSA-N 298.430 4.957 30 10 CJEE C=CCCCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 1459954791 ARRZBBBTHKUTPQ-UHFFFAOYSA-N 285.353 4.582 30 10 CJEE C=CC[C@H]1N(Cc2cc(C)cc(C)c2)CCCC1(C)C 1460031367 STTBUTOMXQQISI-GOSISDBHSA-N 271.448 4.870 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1 1469921648 XEFBHYHURLHHDW-MJGOQNOKSA-N 297.442 4.551 30 10 CJEE C=C[C@@H](OC(=O)CC(C)(C)CC(F)F)c1ccccc1 1528632163 PKHLWHAJJLKMMQ-CYBMUJFWSA-N 282.330 4.528 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CCCC)cc1 1532324549 GNKFGYCASVMDFU-IEBWSBKVSA-N 299.458 4.894 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1coc2ccc(C(C)C)cc12 1538726751 BWKXRFXYEQGFDP-HNNXBMFYSA-N 297.398 4.737 30 10 CJEE C=CCN(CCc1ccco1)C[C@@H](c1ccccc1)C(C)C 1560708974 WSTWMIAECQMPMK-HXUWFJFHSA-N 297.442 4.750 30 10 CJEE C=CCN(CCc1ccco1)C[C@H]1CCCC[C@@H]1CC 1560709217 CYQSZYNRQYTVPS-DLBZAZTESA-N 275.436 4.527 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(Cl)cc1F 1562132951 SFQHJSCVASOIBF-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 1567371939 JVAHVKYNIOTWBY-MJGOQNOKSA-N 299.458 4.665 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C/CCc2ccccc2)c1 1603447267 STYCOBQZYHSCEV-VGOFMYFVSA-N 291.394 4.847 30 10 CJEE CCOc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614730637 DQAQZIFKQCEBBT-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE Fc1cc(F)cc(C#Cc2cc(Cl)cc(Cl)c2)c1 1614731023 MPMNECYWTWUZRD-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCCCCN(CCc1ccccc1)C1CCCC1 1615450968 HXTHYQXBCFLSOV-UHFFFAOYSA-N 271.448 4.830 30 10 CJEE C=CCC[C@@H](NC[C@H](OC)c1ccccc1)c1ccccc1 1616738042 JTGWTCYKWGDWNR-UXHICEINSA-N 295.426 4.671 30 10 CJEE C=C[C@H](OC(=O)c1cc2occc2s1)c1ccccc1 1617548298 HOYHICRTIWZYNE-LBPRGKRZSA-N 284.336 4.578 30 10 CJEE C=CC[C@H](C)Sc1nccn1-c1cccc(C)c1C 1640816604 XKXCKXICGIRRPU-ZDUSSCGKSA-N 272.417 4.546 30 10 CJEE C#CC1CCN(C(=O)[C@](C)(CCC)CCCCCC)CC1 1643525386 DODOXVXQXREXAD-LJQANCHMSA-N 291.479 4.635 30 10 CJEE C=C(CC)CN1CCC(c2c(C)[nH]c3ccccc23)CC1 1644367333 JTXPQFZDKHMZJW-UHFFFAOYSA-N 282.431 4.622 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H](C)c1cccc(F)c1 1653366488 CYILLZFYQQERMH-HNNXBMFYSA-N 275.411 4.955 30 10 CJEE C=CCCC[C@@H](NCC(=C)Br)c1ccccc1 1654659861 GKPKVBHVZOAPAR-OAHLLOKOSA-N 294.236 4.582 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 1655196283 PAROFKPDOKKFIP-RISCZKNCSA-N 284.230 4.828 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2c[nH]c3c(CC)cccc23)C1 1655622934 HFLGPQOZHXZEAR-CRAIPNDOSA-N 296.458 4.607 30 10 CJEE C=CCC1(NC(=O)Nc2c(C)cccc2CC)CCCC1 1658163969 DZBGWEGJODUDIK-UHFFFAOYSA-N 286.419 4.568 30 10 CJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(O)cc2)c1C 1874719334 DGTGNWPHEQHTFD-JXMROGBWSA-N 280.367 4.522 30 10 CJEE CC1(C)CCC[C@@](C)(Nc2cc(Cl)ccc2C#N)C1 1877824011 TYQOIBSHJYQTJL-MRXNPFEDSA-N 276.811 4.982 30 10 CJEE CC#CCCC[C@]1(CNCC(C)C)CCCC[C@@H]1C 1879644298 NPDCGQIAWUQZLJ-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CC#CCCCC(=O)C(CC)(CC)c1ccccc1 1879660996 POMBOVSKRKFURZ-UHFFFAOYSA-N 256.389 4.507 30 10 CJEE CCCCCCCN[C@@H](C)c1cc(F)c(F)c(F)c1 1880969840 CBSCFEGKXQQKKN-NSHDSACASA-N 273.342 4.725 30 10 CJEE CCC[C@@](C)(C#N)CC1CC2(C1)C(F)(F)C21CCC1 1881851711 WTTFFEPHXUOXFS-JVWICGRDSA-N 267.363 4.922 30 10 CJEE CC#CCCCC[C@@H](CSc1ccc(Cl)cc1)NC 1885234951 CLSGVCKOJCPILE-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CC#CCCCC[C@@H](NCCC)C(C)(C)CC(F)F 1885239205 YLZXTLNWWQXGRV-CQSZACIVSA-N 273.411 4.620 30 10 CJEE C=C1CCC(C[C@]2(O)CC[C@@H]3CCCC[C@H]3C2)CC1 1886401175 DOZWALUPKPPJKJ-OKZBNKHCSA-N 262.437 4.844 30 10 CJEE CCCCCCCC[C@@H](NC)C1CC(OC(C)(C)C)C1 1914019831 IVRUXIPLIKUNEE-OFLPRAFFSA-N 283.500 4.919 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCC(C)C)NCC 1921148219 OMBAUDFBZFYAJB-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](NN)c1nc2ccccc2s1 1922186550 SBTGKTAXYJNMGX-CQSZACIVSA-N 291.464 4.551 30 10 CJEE C=C([C@H](NCC)C(CCC)CCC)[Si](C)(C)C 1922840518 XXOVGFRPGCJRSY-HNNXBMFYSA-N 255.522 4.615 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCC[C@@H](C)C1)[Si](C)(C)C 1922962067 GUCVBUNFQJLWBK-BMFZPTHFSA-N 267.533 4.615 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2OCCCC2(C)C)CC1 1923826360 LOGZIMPGXKDKOS-PQUAAJSLSA-N 280.452 4.613 30 10 CJEE C[C@@H]1CCC(C)(C)CN1CC1(CS)CCCCCC1 1926364732 ALYAJJUSKQIRPA-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1ccccc1Br 1947384432 YSZDYFDUVWURJW-QWHCGFSZSA-N 296.252 4.845 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CSc2ccccc21 1956268474 RNOMKOCYTBEOMG-KRWDZBQOSA-N 295.451 4.564 30 10 CJEE C=CCC[C@@H](C)Cc1ccc(Br)cc1F 1958095142 VQSIUWOGBIBRPL-SNVBAGLBSA-N 271.173 4.733 30 10 CJEE C[C@H]1CCC[C@H](CCNc2ccc(Cl)c(C#N)c2)C1 1968473344 GWDRVNOPDWUOTA-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE N#Cc1ccc(N[C@H]2CCCCC23CCC3)c(Cl)c1 1972819177 DPYKMQCRRWDVCG-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE C=CCCCC[C@H](O)c1cc2sccc2s1 1984553291 IULCODSQDJPIFF-JTQLQIEISA-N 252.404 4.743 30 10 CJEE CCCC#CC[C@@H](NC)c1cc(Cl)c(Cl)s1 1994180125 NOJNWYLPIRNXRJ-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C[C@H]1C[C@@](C=O)(C[C@H](C)CC(C)(C)C)CCS1 1997339495 ZBJFUGIHXWXMFJ-IPYPFGDCSA-N 256.455 4.550 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(C)c(Cl)s1 2001036006 KNIQHFXIYKJYRD-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CCCCC(F)(F)F)C1 2023311010 YFJHYTZHUOTSKF-NEPJUHHUSA-N 250.304 4.505 30 10 CJEE N#CC1(C[C@@H]2CCC[C@@H]2C(F)(F)F)CCCCC1 2031769493 ZVHTUEUWCCJRKQ-RYUDHWBXSA-N 259.315 4.829 30 10 CJEE C=CCC[C@@H](Cc1ccc(Cl)cc1C)NCCC 2043191579 QKKYLLDVYQNCPC-INIZCTEOSA-N 265.828 4.525 30 10 CJEE CCCCCCCCC[C@@]1(F)CNCC[C@@H]1CC 2045254130 PQUAIQYGUGIOSQ-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE C=CCCCCN[C@H](C)C1CCC(C(C)C)CC1 2049419085 WNEIGIPXJZEBOH-KLAILNCOSA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cnc(C(C)C)s1 2051197499 USVRHUJHTKQFIL-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE SCCCCCCN1CCCC[C@H]1c1cccs1 2051779380 GGTIJVBENWZZQZ-AWEZNQCLSA-N 283.506 4.765 30 10 CJEE CC1=C(C)C(=O)[C@H](CCc2ccc(Cl)cc2)CC1 2055531609 ISBFKIZAKVFGEG-AWEZNQCLSA-N 262.780 4.588 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ncccc1Cl 2056513928 PGMZNKQRYWWOLG-OAHLLOKOSA-N 268.832 4.660 30 10 CJEE FC(F)Oc1cc(C(F)(F)F)cc(C(F)F)c1S 2060216899 ZDGUGDGGGKPPCP-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE O=C[C@]1([C@H]2C=CCCCCC2)CCCC(F)(F)C1 2065221204 LCEGNJYDUKRXEJ-KBPBESRZSA-N 256.336 4.518 30 10 CJEE C=C[C@@](N)(c1sc2ccccc2c1C)C(C)(C)C 2067477785 VBOLGOLZUGZESK-MRXNPFEDSA-N 259.418 4.596 30 10 CJEE C[C@@H](CC(C)(C)C#N)OC1CC(CC(C)(C)C)C1 2068030075 PBHDQFLCIMOSRG-HSBZDZAISA-N 251.414 4.546 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@@H]2CC[C@@H]2C1 2068804249 CRHDLHQWTNFMKO-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](CC[C@@H](C)C(F)(F)F)CNC(C)(C)C 2071537118 YALALRBDVBEVBU-VXGBXAGGSA-N 265.363 4.545 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(C)sc1C 2073672937 VAHXIVXKDWEABO-MRXNPFEDSA-N 263.450 4.599 30 10 CJEE CC#CCCCCNc1ccccc1SC1CC1 2075363929 UAXCNSBKQIUIKD-UHFFFAOYSA-N 259.418 4.547 30 10 CJEE SCCCCCOC[C@@H]1C[C@H]1C1CCCCCC1 2080286879 DNBZTDQOXBQVHK-HOTGVXAUSA-N 270.482 4.710 30 10 CJEE CCCCC#CC[C@](C)(N)c1c(Cl)cccc1Cl 2083441050 ZEQGCQXVKBHKLP-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE C=CCCCCCC[C@@H](C(=O)O)C1CCCCC1 2085918325 YRKFKNBHQMSLIN-OAHLLOKOSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCCS[C@H]1C 2086258112 AAIGAHDYBKCDDP-JKSUJKDBSA-N 269.498 4.906 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1cscc1Cl 2086295410 LYIHEHOZDZQDDC-CYBMUJFWSA-N 288.840 4.696 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2090612579 JVTDKPZYHYLKEN-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(O)CC(C)C 2090866033 ARYHSDJLAYNWGC-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](O)c1sccc1C 2092196428 ZGVFOCIDMHXOQR-HUUCEWRRSA-N 283.481 4.558 30 10 CJEE C=CC[C@H](C[C@@H]1CCC[C@H](C(F)(F)F)C1)NCCC 2092649008 CCNSSUABJBQIHJ-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C[C@H]1CC(C[C@@](C)(C#N)c2ccccc2)C[C@H](C)C1 2092714534 YVUZGIZVCSCPAB-RKVPGOIHSA-N 255.405 4.930 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnc(C)o1 2092722324 BQQIOHVXDHVPTC-HNNXBMFYSA-N 266.429 4.774 30 10 CJEE CCSc1cccc(NCC[C@H](C)C2CC2)c1C#N 2093135908 XBUIRASBTHVWAY-LBPRGKRZSA-N 274.433 4.518 30 10 CJEE C=C(C)CC[C@H](NCCC)C12CCC(CC1)C2(C)C 2094496487 XBVMKJIRIFYACP-PQUAAJSLSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CC2CC3(C2)CC3(F)F)C1 2098005716 SWRRQYAPJHEFGX-JLVJUDLZSA-N 267.363 4.922 30 10 CJEE C[C@H](CC(C)(C)C#N)NC[C@H]1CCCC(C)(C)CC1 2100881865 WNEJRDMEYVDETD-CABCVRRESA-N 264.457 4.511 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1CC(C(F)(F)F)C1 2102100466 MHDAUHLYPUMFKV-RYSNWHEDSA-N 277.374 4.545 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCCC2(CCC2)C1 2102996981 UGAHRJDTHJKYMZ-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE C=C1CCC(CC2(CNCC(C)C)CC(=C)C2)CC1 2103337853 JOXDULPIMSLNTQ-UHFFFAOYSA-N 261.453 4.705 30 10 CJEE CCCCCCCC1(CNCC)C[C@H]2[C@H](C1)C2(F)F 2107640038 BPHFUXDNCXYYDA-KBPBESRZSA-N 273.411 4.618 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(C(F)F)c1 2107922029 IVELTIXDFYGVDK-SWLSCSKDSA-N 267.363 4.877 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)C1CCCCCCC1 2107953356 XTWDWZRSIKUBAD-KRWDZBQOSA-N 279.544 4.596 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(C(F)(F)F)cs1 2107995447 IKGWXBISWBKESR-LBPRGKRZSA-N 289.366 4.611 30 10 CJEE CCCC[C@](C#N)(CC)C(O)(CC(C)C)CC(C)C 2108214644 XJOGHPZQDFLYDB-INIZCTEOSA-N 267.457 4.920 30 10 CJEE CCCCCCC[C@@H](CC1(OC)CCCC1)NCC 2112592358 ZWQLOSBEUKOHTA-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C[C@@H]1CCC2(CC2)N(CCCCCCCCCS)C1 2112685277 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C=CCCCCCCC[C@H](NN)[C@@H]1CCCCC1(F)F 2235534777 JSROASVDGCVWPY-GJZGRUSLSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(C)c(O)c(C)c1 2235538732 KRBDYDVXKGCPCP-KRWDZBQOSA-N 275.436 4.926 30 10 CJEE C=CCCCCCCC[C@@H](Cc1ccccc1)C(=O)O 2235541068 DJTTZOXCVMCZDM-KRWDZBQOSA-N 274.404 4.847 30 10 CJEE C=CCCCCCCCN(CC)[C@H](C)c1cccnc1 2235542809 WRLNIGVSZUXRDT-QGZVFWFLSA-N 274.452 4.991 30 10 CJEE Cc1c(C(=O)C2=CC[C@H](C)CC2)cccc1C(F)(F)F 2235950364 PBSBXOZHXSFPLY-JTQLQIEISA-N 282.305 4.943 30 10 CJEE Cc1sc([C@@H](O)C2(C#N)CCCCCCC2)c(C)c1C 2236834231 RIZXHQZXCNDAPI-MRXNPFEDSA-N 291.460 4.961 30 10 CJEE CN[C@@](C)(C#N)CCCSCCCCCCCC1CC1 2239364223 APTOMMFXEPZUSP-QGZVFWFLSA-N 296.524 4.752 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N 2239454378 HNARLHBQOSIRSW-OKZBNKHCSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCOCc1cc(Cl)nc(CC)n1 2239492204 IEBHSGBMWHDCDM-UHFFFAOYSA-N 298.858 4.960 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCCCC[C@H]1C 2239494158 AJQDJAHSZWRYGL-INMHGKMJSA-N 282.424 4.562 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCCCCCCC[C@@H]1N 2239501305 LTNDZNRDOMDWMC-FGTMMUONSA-N 281.484 4.968 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCC(C)(C)[C@H]1NCC 2239509756 HPIGUBWGLOIPQY-IKGGRYGDSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCCOCC1CC(NCC)C1 2239553837 DSNLPBXPUCZKDS-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](C#Cc1cccc(Cl)c1)NCC 2239563001 PUGFRVNMLJFXIX-ZWKOTPCHSA-N 291.866 4.742 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)CC1(COC)CCCCC1 2240143108 ZPQADEGACLCVHK-IRXDYDNUSA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CC1(CC)CC1)NC 2240654965 XAITXFAFGZRMCI-DLBZAZTESA-N 283.500 4.656 30 10 CJEE Cc1c(Br)sc(C(=O)C=C2CCCC2)c1C 2243085783 XFPWYIUKUPOTKY-UHFFFAOYSA-N 299.233 4.811 30 10 CJEE CCCCCCCNC1CC(C[Si](C)(C)C)C1 2249653037 WCCBEQIKYFKEKL-UHFFFAOYSA-N 255.522 4.663 30 10 CJEE C=C(C)CCCCN[C@H](C)[C@@H]1CCCC(C)(C)C1 2259235103 KOXMFQQZTIVBPM-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)CCCOC1 2259621982 QOXHTMDUYSBHIX-JKSUJKDBSA-N 251.414 4.549 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H](C)CC 2262641319 DTESLFXUUQNKIE-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE N#CC1(c2c(F)cccc2Cl)CCCCCCC1 2263166845 MNVIBQWBEFYPGK-UHFFFAOYSA-N 265.759 4.985 30 10 CJEE O=C[C@]1(CC[C@@H]2CCCCC23CC3)CCC12CCC2 2264932377 SAEMWJXCDYIZOR-YJBOKZPZSA-N 260.421 4.886 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H]1CC(F)(F)C12CCC2 2266136202 ACLNEFDTMILEAR-ZIAGYGMSSA-N 272.379 4.699 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(CC)CC1 2268743584 SCJWJYBCBSQBLU-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE CCCCCC1CC(N)(CC=CC#CC(C)(C)C)C1 2268747057 HMSGNVXMNJVQEO-UHFFFAOYSA-N 261.453 4.670 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@](C)(C=O)c1ccccc1 2269461827 UQAYWHADLPTJIX-JFIYKMOQSA-N 258.405 4.750 30 10 CJEE C#CCC1(NCCCCC[C@@H]2C[C@@H]2C)CCCCC1 2269518631 GFADVDILHVUBMB-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@]1(F)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2270415326 VRLJCDBHANHTPO-DSPLQEQRSA-N 269.448 4.983 30 10 CJEE C[Si](C)(C)CC1CC(Nc2cc(C#N)ccc2Cl)C1 2270782499 DRIGGIYHYMTEPN-UHFFFAOYSA-N 292.886 4.740 30 10 CJEE C=CCCCSc1cc(F)cc(CN[C@@H](C)CC)c1 2271588788 BTBMVCNVNFWFCG-ZDUSSCGKSA-N 281.440 4.772 30 10 CJEE CCCCCCCCNCC[C@@H]1CC(C)(C)CCO1 2272373373 FTMJZGLKCRWRRA-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCC[C@@H]1CC2 2273365058 LICGEVDZGYDMTJ-IXDOHACOSA-N 266.473 4.539 30 10 CJEE CCCCCCC[C@](C)(CCCC)OCCC(=O)O 2275564584 XEFNCLLAFRRKJV-INIZCTEOSA-N 272.429 4.787 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)c1ccsc1 2276436331 WYIZCNBRFYBOGY-MRXNPFEDSA-N 283.481 4.689 30 10 CJEE C=CCCCCCCC1(OCCN)CCCCCC1 2276715976 KVYNBBLRPKVYTN-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@]1(OCCN)CC(C)(C)C[C@@H]1C 2276761536 LLRMTMGEUNKFAG-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@H](CCC)O1 2278238500 SLLKOWGGIKKXPY-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@]1(C)CC(=O)N[C@@H]1C(C)C 2278238724 XJFVJGPADKMBKP-IAGOWNOFSA-N 267.457 4.678 30 10 CJEE CCCCCCC[C@@H](NCC)c1ncc2sccc2n1 2280355514 AJYYHARQRGRCQR-CQSZACIVSA-N 291.464 4.702 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCCCC(F)(F)C1 2284073669 SPEXCYXTPJQCDN-AWEZNQCLSA-N 282.374 4.767 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)c(F)c1 2284107849 BUDPRTWREKPMSM-INIZCTEOSA-N 293.813 4.735 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)[C@H]1CCCC(C)(C)C1 2284110143 CNYILCUITQESQZ-LPHOPBHVSA-N 275.480 4.916 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@H]1c1ccccc1 2287409717 YECKLPWJCXSGKZ-FHWLQOOXSA-N 271.448 4.905 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1 2287676463 YSFAUUVJKWVTEQ-BSDSXHPESA-N 281.484 4.528 30 10 CJEE CC(C)CCC[C@@H](C)CCN1CC[C@H](C#N)CC12CC2 2288618735 DJMIUOOPOYYQES-SJORKVTESA-N 276.468 4.607 30 10 CJEE CC(C)Cc1ccccc1[C@@H](O)C#CC1CCCCC1 2289788743 VMQUEXYEFLMSKE-IBGZPJMESA-N 270.416 4.502 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2289863050 BRBZCYYUMULXGL-INDMIFKZSA-N 273.464 4.504 30 10 CJEE C=CCCCCCC[C@](C)(CC1CCC1)OCC(=O)O 2291305888 HHIPDTFXAYTFLO-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)C1CC(C(C)(C)C)C1 2292770025 OUBMSFPWJAHBAZ-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CCC1(C)C 2292995584 ZQWADLVERRKKHF-SJORKVTESA-N 283.500 4.907 30 10 CJEE O=C(C=CNc1ccccc1)c1ccc(Cl)cc1Cl 2293239155 CNDJAJQEJYRZTE-UHFFFAOYSA-N 292.165 4.802 30 10 CJEE CCCCCCCC[C@@](CC)(OCCCN)C(F)(F)F 2293413521 MBZZEXCUNSLYKK-CQSZACIVSA-N 297.405 4.814 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@@H](C)C1CC1 2293461363 UTWVMSFXOLZBDP-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1CC(C(C)C)C1 2293543213 SYHHRMNAJVOREX-ABHNRTSZSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC1(C)C)OCCCN 2293643683 SJPQPDJMLAPMLI-SJORKVTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1cscc1OC 2293654140 FMWUWFUMAWLTFL-OAHLLOKOSA-N 299.480 4.524 30 10 CJEE CCCCCCCC[C@H](OCCN)C1(C)CC(C)(C)C1 2293717229 KZSAGXYQHDZHSE-INIZCTEOSA-N 283.500 4.907 30 10 CJEE CC1CCC(C#N)(c2ccc3cccc(Cl)c3n2)CC1 2294977444 UPLYNZLIJDGUAK-UHFFFAOYSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@](C)(O[C@H]1C=CCC1)C(=O)O 2295596949 PJGPDOZVHJUJMJ-RDJZCZTQSA-N 282.424 4.706 30 10 CJEE CCCCCCCCC[C@H](C)NCCCc1cnoc1 2295673565 JETUNKRXTGHTJZ-INIZCTEOSA-N 280.456 4.726 30 10 CJEE CC=CCCC[C@H](N)[C@](C)(O)CCCCCCCCC 2295680803 AMILKCVUSDVBTR-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE CCCC[C@H](CC)CSCC[C@H]1CCC[C@@]1(C#N)NC 2295764360 RVSCYZSTROZNDH-BBWFWOEESA-N 296.524 4.608 30 10 CJEE Brc1ccc(N=CC=Cc2ccccc2)cc1 2297549084 YUMLRORLYJORNJ-UHFFFAOYSA-N 286.172 4.865 30 10 CJEE C=CCC(CC=C)Nc1cc(C)cc(Br)c1F 2301052229 DODSRCCLKXJVAR-UHFFFAOYSA-N 298.199 4.829 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc2sccc2s1 2304053148 STNRMZLGSLVGFL-ZIAGYGMSSA-N 265.447 4.955 30 10 CJEE Cc1c(CC[C@@H]2CCC[C@H]3O[C@@H]23)ccc(Cl)c1Cl 2316832464 LRMMKNVHCQQDQR-LNSITVRQSA-N 285.214 4.802 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1ccc(-c2cccs2)s1 2319250738 YIOPWEHKSWNNQT-ABAIWWIYSA-N 275.442 4.703 30 10 CJEE C=C[C@@H](C)CC(=O)c1ccc(Cl)cc1C(F)(F)F 2319569703 MISWCPQQADQFFH-MRVPVSSYSA-N 276.685 4.754 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H](C(F)(F)F)C1 2327247550 MXZHBIHIYLQNKP-BETUJISGSA-N 265.363 4.668 30 10 CJEE C[C@@H](CN(C)C[C@](C)(CS)C(C)(C)C)C(C)(C)C 2327282808 NJYLVIDVVFHMSC-XJKSGUPXSA-N 273.530 4.583 30 10 CJEE C=CC[C@@H](C)Sc1c(CNCCC)ccc(F)c1F 2335237096 CDDUKSXVXJNIQB-LLVKDONJSA-N 285.403 4.521 30 10 CJEE C=CCCCCCCNCc1cc(F)c(Cl)cc1F 2337216937 STTHIPAUJDVRAI-UHFFFAOYSA-N 287.781 4.844 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H](c1ccccc1)C(C)C 2338697067 UQZGQSQVORSYRF-ROUUACIJSA-N 258.405 4.556 30 10 CJEE C=CCC(CC=C)C1(C(=O)O)CCC(C(C)C)CC1 2338728940 AUGTWFFZEJKSHN-UHFFFAOYSA-N 264.409 4.672 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C 2338733038 OAWJCMJIFFCULK-KURKYZTESA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](CSc1ccc(Cl)cc1)NC 2338739045 RSEQODXOVIEHPC-MRXNPFEDSA-N 295.879 4.789 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cnc(CC)s1 2338750533 SYDYRVQUPAZJCE-INIZCTEOSA-N 278.465 4.515 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2343385192 SQRXDFIAQLFQRJ-HOTGVXAUSA-N 263.469 4.785 30 10 CJEE C=CCC1(NCc2cccc(C3CCC3)c2)CCC1 2343716326 MDRKAUPZBAHLQE-UHFFFAOYSA-N 255.405 4.543 30 10 CJEE C#Cc1c(F)cc(NCC(CC)(CC)CC)cc1F 2344181010 AUOAKRCZPVBUNV-UHFFFAOYSA-N 265.347 4.574 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCC=Cc1ccccc1 2344464048 HXUYKFGNTGERQI-MSOLQXFVSA-N 258.405 4.833 30 10 CJEE C=CCC(CC=C)SC1(C(=O)O)C[C@H](C)C[C@@H](C)C1 2352214592 LKWHGMCMDXFLDJ-CHWSQXEVSA-N 282.449 4.520 30 10 CJEE Cc1cc(Cl)c(C#CCC2(N)CCCCC2)c(Cl)c1 2353121976 OGISHNDDJJTKKY-UHFFFAOYSA-N 296.241 4.705 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CC[C@@H]1C[C@@H]1CC 2358712492 INUZDXXGCSTEBP-MHORFTMASA-N 283.500 4.642 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]2CC[C@@H]1C2 2359620334 OPDGGFYMOSIUSQ-BSDSXHPESA-N 280.500 4.785 30 10 CJEE N#CC[C@@H](Nc1cccc2ccccc12)c1ccccc1 55014932 JAIQXBRMSDEUFI-GOSISDBHSA-N 272.351 4.907 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2cccc(N(C)C)c2)cc1 57744126 ARYQXPJUGLFXFR-LJQANCHMSA-N 292.426 4.726 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(F)ccc1F 59261079 FUQQGDLKJDIPNW-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE CC(C)(C)[C@@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 79343837 MCKHFBXVSHGONB-CQSZACIVSA-N 290.838 4.864 30 10 CJEE SCc1cnc(-c2c(Cl)cccc2Cl)s1 82417681 XYJMCFPNAAZQHJ-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE CCc1nc(-c2ccc(Cl)cc2Cl)sc1CC#N 82424537 PUWCXTZWIUAFEV-UHFFFAOYSA-N 297.210 4.745 30 10 CJEE CCC1CC(C#N)(c2ccc(Cl)cc2Cl)C1 86517094 XTIJEUQOZDEOJH-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE CC(C)N(CC(F)(F)F)CC1(CS)CCCCCC1 94580020 ZMASPDORTZDEHM-UHFFFAOYSA-N 297.430 4.530 30 10 CJEE FC(F)(F)c1cccc(SCC2(CS)CC2)c1 94589313 VXEWZIMEHGNTES-UHFFFAOYSA-N 278.364 4.508 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(C(F)(F)F)c1F 94601410 DSMSIXCCKSVXQM-ZDUSSCGKSA-N 289.316 4.851 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)cc1F 94836885 SGFWWWMSKJXGRR-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C/C(=N/Cc1ccccc1Cl)c1ccc(Cl)cc1O 106922148 MNTAXDMXDLQPCL-ZDLGFXPLSA-N 294.181 4.708 30 10 CJEE CCCCCCCOCc1cc(C)c(CNC(C)C)o1 107345238 MHKZTYHVJHXMMM-UHFFFAOYSA-N 281.440 4.573 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(C)cc1Br 107497899 OAAWKQBXDKRTSC-NEPJUHHUSA-N 265.194 4.520 30 10 CJEE CCC(C)(C)C1CCC(C#N)(NC2CCCCC2)CC1 110029352 WUVDSCHWJQUFPW-UHFFFAOYSA-N 276.468 4.797 30 10 CJEE CCN(c1ccccc1F)c1ccc(C#N)cc1Cl 110257787 UDAXNXPHNUBMMU-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCCCCC[C@H](O)c1cnc2ccccc2c1 111849396 RPWQOLANTATQPO-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@H]1CC(C)C 114058292 JFHURLZHUMHAGF-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@H](CN)CC(C)C 115863120 GFMAZQUPARYECN-ZWKOTPCHSA-N 285.516 4.889 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C(C)(C)N(C)C 118139548 QGWUMOVZFYPZNZ-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1ncc[nH]1 123799970 TVLWPHMLRBDUMU-MRXNPFEDSA-N 279.472 4.981 30 10 CJEE CC(C)(C)c1ccc(Sc2ccc(N)c(CC#N)c2)cc1 127647253 MWPDJBDDUBUYIJ-UHFFFAOYSA-N 296.439 4.784 30 10 CJEE COc1ccc(C#N)c(Oc2cccc3ccccc23)c1 130503843 FJTGMSYMBYANII-UHFFFAOYSA-N 275.307 4.512 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CC(C)(C)OC1(C)C 132936431 USROLVUASQHYMT-HZPDHXFCSA-N 283.500 4.919 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1Cc2ccccc2S1 139680564 KJITWMJTOWVRET-WBVHZDCISA-N 277.477 4.652 30 10 CJEE C=C(CC)C[C@@H]1CCCCC[C@H]1CNC(C)(C)C 155854736 VIHTXISWUIZREL-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE SCC1(CSCc2ccc(Cl)cc2)CCC1 159186952 AGUJWBGHCLKLBW-UHFFFAOYSA-N 272.866 4.673 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CCCCS1 160882729 WLAJOXXQJDCTMY-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCOC2(CCSCC2)C1 169251363 LOXJXZMPKGTFQW-OAHLLOKOSA-N 298.492 4.608 30 10 CJEE C=CC[C@H](N(C(=O)OC(C)(C)C)C(C)(C)C)[Si](C)(C)C 195830419 DULWJMOKAUXHTQ-CYBMUJFWSA-N 299.531 4.844 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2nc(C)c(C)c2C)C1 226767139 STZPYHAZGTUWRL-BBWFWOEESA-N 287.451 4.726 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 227925885 BYNGQMPIDHZBGW-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE CCCCCCCCNC1=N[C@@](C)(CC)CCS1 228523472 RJZKWVKAOMHKOB-HNNXBMFYSA-N 270.486 4.598 30 10 CJEE C=CCCCCC[C@H]1CCCCC[C@@H]1CNCC 233515338 JUWIKSDGYNLHFT-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 235615773 HHDUSLYZTHBGBA-LLVKDONJSA-N 282.305 4.563 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC(C)C 250558917 GIQSKTZRGIEJFJ-IKGGRYGDSA-N 265.485 4.887 30 10 CJEE Clc1ccccc1C=Nc1ccccc1Cl 254478020 GEEKTJVLYGYBOM-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE CCCCCCCCC[C@H](N)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300570602 DGXGUWXCJFJMIO-SMLCLMEVSA-N 263.469 4.747 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1cccc(Br)c1 304578799 YCOKRAVITJFHLG-RISCZKNCSA-N 280.209 4.738 30 10 CJEE C=CCCCCCCNCc1ccccc1Cl 310440504 WFUCQALQLDGNSC-UHFFFAOYSA-N 251.801 4.566 30 10 CJEE CC[C@H]1CCC[C@H](n2ccc3c(C#N)cccc32)C1 311268258 SLLOUILJALODPD-ZFWWWQNUSA-N 252.361 4.654 30 10 CJEE Cc1ccc(Br)cc1C[C@]1(C#N)CC[C@@H](C)C1 314662868 UOKKYIYENIZKAF-ABAIWWIYSA-N 292.220 4.630 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC(F)(F)c2ccccc2)C1 316817172 JVUSAQSICKUNSY-GOEBONIOSA-N 280.358 4.954 30 10 CJEE C[C@H](C[C@@]1(C=O)CCCC[C@H]1C)C1CCCCC1 316858011 VDNVLJQAOKZESL-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cccc2ccccc12 317025824 RZTIIECEUWSMFK-BEFAXECRSA-N 266.384 4.778 30 10 CJEE CC[C@H]1CC[C@@](CC#CC(C)(C)C)(CNCC(C)C)C1 317970425 BNSWBSRTKWPXHJ-PKOBYXMFSA-N 277.496 4.868 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CC[C@@H](CC)C1 318145872 GKXJTCLWCAOMCC-SJORKVTESA-N 251.458 4.785 30 10 CJEE CCCC1CCC(C#N)([C@@H]2C[C@@H](OCC)C2(C)C)CC1 378733357 XZBMOCVJKKSJEX-GARNVTTQSA-N 277.452 4.938 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](CO)C1CCCCC1 385275579 YKTZLFLWRQUPMG-ZWKOTPCHSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@@H]1C1CCCC1 385383600 ZOPSLKKWZQHEJP-SJORKVTESA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@@H](N)c1csc2c1CCCC2 399837939 DXCJRAIGICAADE-OAHLLOKOSA-N 265.466 4.987 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2nccc3ccccc23)C1 401668561 PUVHHBPQWDFRMO-IVMMDQJWSA-N 282.412 4.655 30 10 CJEE CCCCCCCCOC[C@@H]1CCC[C@H](NCC)C1 404039172 ICWNUVHKGRNJDB-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 404317389 WQRDKKVNADYMFN-CYBMUJFWSA-N 277.166 4.696 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC(C)(C)C1 410347690 PJQSOCNYZHFUJC-OAHLLOKOSA-N 271.404 4.570 30 10 CJEE N#CC1CCC(CNC2CCC(c3ccccc3)CC2)CC1 442880250 XZLCWWDGPNGJGH-UHFFFAOYSA-N 296.458 4.632 30 10 CJEE N#CCc1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl 514262678 WYSFZNNXKUHCDE-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC 686690886 CRSPHLAZGHSMJD-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)c(F)c1 686694600 CSBQFOGUOPIFNW-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC(C)(C)c1ccccc1 686736668 QJEQTBCVMMPYMD-YJBOKZPZSA-N 258.405 4.750 30 10 CJEE CCCCCCCCCNc1cccc2c1CCO2 690278508 PNXXDBRVSAMYDT-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CC[C@H]1CCCCC[C@]1(O)C1(C#N)CCCCCCC1 691100356 HOZATZYGOIBATG-FUHWJXTLSA-N 277.452 4.962 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)Cc1ccc(Cl)cc1 692233897 FPQFBAHXNFULRF-LESCRADOSA-N 291.866 4.996 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)cc1C#N)[C@@H]1CC1(C)C 695674132 MMKZPDQIOOXHEP-DZGCQCFKSA-N 276.811 4.838 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1cc(F)ccc1F 695755922 GCTROHOPOQAMPS-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]2C[C@@H]2C1 695836203 XIOBNPXRQMIDNW-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@H](O)c1cccc(N)c1F 696675661 CENDWZIKAAXXFN-INIZCTEOSA-N 281.415 4.972 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H]1CCC[C@@H](C)CC1 697824366 GYVSKBGVTOKNCO-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCC[C@H](CS)CN1CCC[C@H](C2CCCCC2)C1 708236991 YPEYFVVOMQMKRF-RDJZCZTQSA-N 283.525 4.625 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 709129573 UIKKJRBGSMNZHP-WDEREUQCSA-N 298.213 4.852 30 10 CJEE CCCCCCC[C@@]1(C)C(=O)CCN1c1ccccc1 711968927 CAVQKVYIMSZIKT-SFHVURJKSA-N 273.420 4.585 30 10 CJEE C=C(C)CC[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 712538088 KLJCGPGSNQGFIG-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1C 715769718 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C=CCC1(C(=O)O[C@@H](C)c2cc(F)cc(F)c2)CCCC1 1457920418 XLRAGAGDPDVUCI-LBPRGKRZSA-N 294.341 4.706 30 10 CJEE C=CC[C@H](CC)NC(=O)c1coc2ccc(C(C)C)cc12 1459616539 IYMWKBIEBKAYEX-AWEZNQCLSA-N 285.387 4.641 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(F)c2ccccc12 1462301266 UGRRDPYLMYBHDR-UONOGXRCSA-N 271.379 4.984 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1 1467478375 SCRABASGNWTKBD-UHFFFAOYSA-N 284.403 4.518 30 10 CJEE C=CC[C@H]1CCCN(C(=O)/C=C(\CC)c2ccc(C)cc2)C1 1469920640 NJTMMDVCFSGOSH-AATZCTEQSA-N 297.442 4.603 30 10 CJEE C=CC1(CC(=O)NCC2(CC(C)C)CCC2)CCCCC1 1517917133 ZBCRMBCAEAJACS-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 1523678337 WBAFZHXZORNBAT-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CCCCC(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 1523758923 GCTQAJZNAFPKLF-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)cc1 1532796974 IZEPXCQINDKPNG-SFHVURJKSA-N 287.403 4.549 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(F)cc1C)c1ccccc1 1535865669 VPNRTMNPLXGQGM-QGZVFWFLSA-N 298.357 4.790 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2N2CCCCC2)C1 1560421327 GIYHEDNQOFFSGB-MJGOQNOKSA-N 298.474 4.511 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1 1560503063 ZBGJNRJXQDFKGV-SFHVURJKSA-N 285.818 4.617 30 10 CJEE C#CCN(C[C@H]1CCCC(C)(C)C1)[C@H]1CCc2ccccc21 1560701622 PQGLYLWWGCIKCB-PXNSSMCTSA-N 295.470 4.826 30 10 CJEE C=CCCSc1nc2ccccc2n1-c1ccc(F)cc1 1613505626 UWCAWBLJNJLKKD-UHFFFAOYSA-N 298.386 4.833 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)c(Cl)c2)c(F)c1 1614730698 DJTNFEMVJHQMIB-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE Fc1ccc(C#Cc2cccc(Cl)c2)cc1C(F)(F)F 1614827248 RMXVQCXYEIWIJQ-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CC[C@@H]1N(C[C@H]2CC(C)(C)OC2(C)C)CCCC1(C)C 1617603673 CFDOPGJHRDNDQH-CVEARBPZSA-N 293.495 4.647 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCCc2cc(C#N)ccc21 1621396381 GPFUDGPAYQZALA-MJGOQNOKSA-N 282.431 4.660 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)c1ccccc1 1625197516 VHAAGEAPVCWXGD-BQFCYCMXSA-N 287.447 4.882 30 10 CJEE 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CJEE C=CC[C@H](CC)NC(=O)Nc1ccc2oc(C)c(C)c2c1 1660875905 KZDKSHVKFJDHDJ-ZDUSSCGKSA-N 286.375 4.526 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](C)c2ccc3c(c2)CCCC3)C1 1664189830 IACQCHSMWBGOIA-FTRWYGJKSA-N 283.459 4.961 30 10 CJEE C=CCN(CC=C)/N=N/c1ccc(OCCCC)cc1 1860486883 OZJAQTMYQTUOOZ-ISLYRVAYSA-N 273.380 4.538 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@H](C(C)(C)C)CCS1 1879353187 LJFDCCMMKDHOIB-KGLIPLIRSA-N 284.513 4.843 30 10 CJEE CC#CCCCCN(C)Cc1cc2ccccc2s1 1885381180 QWQVTFVAFBDCOF-UHFFFAOYSA-N 271.429 4.527 30 10 CJEE C#CC[C@@H](CC1(O)CCC(CC)(CC)CC1)C1CC1 1887099018 REIPUHKDHJDKJK-INIZCTEOSA-N 262.437 4.538 30 10 CJEE C=C[C@H](C)CC(=O)c1c(Cl)cc(F)cc1Cl 1899505969 SXTPWPDKRRNQDG-ZETCQYMHSA-N 261.123 4.527 30 10 CJEE C=CCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 1899514510 YPUZCYSJWHHFAB-NSHDSACASA-N 263.139 4.522 30 10 CJEE CC1(C)CC(SCC2(CS)CC(C)(C)C2)C1 1903470080 JGKBMQATQARLER-UHFFFAOYSA-N 258.496 4.644 30 10 CJEE CC(F)(F)CCSC[C@@](C)(CS)C(C)(C)C 1904857957 DGWBGVCIOCOUHT-LLVKDONJSA-N 270.454 4.747 30 10 CJEE 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CCCCCCCCOC[C@@](C)(CC)CNC(C)C 2343178370 YOEIGZIPFJDESH-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccccc1CC 2344337888 VIWMAXXDPMGXJE-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1[C@H]2CCCCC[C@H]21)NC 2344341922 GBVVZUACFHYUJI-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC2(CC2)C1)NCCC 2344347978 GUNGQJBNTFSIGX-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1cc(C)cc(C)c1C 2344371095 HTKFTBBDFHIYGE-GOSISDBHSA-N 258.405 4.716 30 10 CJEE CCCCCCCCNCc1c(F)cc(O)cc1Cl 2351675465 KYNNZNGDRRFYJL-UHFFFAOYSA-N 287.806 4.635 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(C(C)C)ccn2)CC1 2352984501 VAJDQLFQTZDUQX-ZDUSSCGKSA-N 257.377 4.524 30 10 CJEE CCCCCCCC1(F)CCC([C@H]2CCNC2)CC1 2353214413 SJTPBYURAXTJJZ-CGZBRXJRSA-N 269.448 4.855 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2C[C@@H]3CC[C@H]2O3)C1 2354990763 JIQUJNCYMVMFTC-SOUVJXGZSA-N 275.436 4.690 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2CCC[C@@H]3C[C@H]23)NCC)CC1 2355645621 HZSICOKBDHRIMC-ZSYWTGECSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@]12CCOC[C@@H]1C2 2357375323 IKZPUXOBANLSKP-KSZLIROESA-N 281.484 4.661 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H]1CCC[C@H]1C(C)C 2359893485 LNKOBQYQZHKXQQ-OTWHNJEPSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1O2 2360175419 IXGQTGMWXYTPTP-XDNAFOTISA-N 282.468 4.836 30 10 CJEE COc1ccc2c(c1)CC/C(=C/c1cccc(Cl)c1)C2=O 8664643 CNLYTCNSPHGFOV-ZROIWOOFSA-N 298.769 4.561 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3[nH]2)C1 37154996 NGUIPDPCTFMXFS-HEHGZKQESA-N 299.443 4.764 30 10 CJEE Cc1cccc(N[C@]2(C#N)C[C@@H](C)CC(C)(C)C2)c1 37936661 UPZCNJSSAZYSNP-WMLDXEAASA-N 256.393 4.516 30 10 CJEE Cc1ccccc1N[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 37937890 JYJZMOHMJYGQFL-SUMWQHHRSA-N 256.393 4.516 30 10 CJEE CCCCN(CCCC)c1ccc(C#N)c(Cl)c1 38314298 JWOSFAKJXZFDHV-UHFFFAOYSA-N 264.800 4.618 30 10 CJEE CCCCCC[C@@H](C)NC(=O)C(C#N)(CCC)CCC 44825315 UXOROSIBKXRPQW-OAHLLOKOSA-N 280.456 4.572 30 10 CJEE C=CCSc1ccccc1NCc1ccc(CC)o1 51724315 QZHRCUADGNEVBO-UHFFFAOYSA-N 273.401 4.732 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2c(c1)OCO2 59090001 NWZILJVQFOBLJF-CYBMUJFWSA-N 263.381 4.576 30 10 CJEE C[C@H]1CCC[C@H](CCNc2ccc(C#N)c(Cl)c2)C1 70539718 IFCKFFRJXKHMTQ-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc2ccccc12 71277140 QAFFLBMQPZPFHX-GOSISDBHSA-N 253.389 4.847 30 10 CJEE C=CCC[C@H](NCC)C1(c2ccccc2)CCCCC1 71277433 ANWPLAROZAMFFK-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCc1cccc(CC)c1Nc1cccc(F)c1C#N 71599793 KKHBEZCMNIBXJJ-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE N#C[C@H](C(=O)C1CCCCCCC1)c1cccc(Cl)c1 86580063 MUOVUJNQSQHOQZ-INIZCTEOSA-N 289.806 4.877 30 10 CJEE CC1(C)CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 87658063 YFRRQRJDZLAMSH-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cccc(C)c2)CC1 91882366 GAFQQANFZUOASW-IIIMJFFVSA-N 271.404 4.529 30 10 CJEE CN(CC1CCCCC1)CC1(CS)CCCCCC1 94581349 NSDXKNXETSVQLR-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCC[C@@H](CS)COc1ccc(C(C)C)c(C)c1 94582769 RFHRPWURWCVVJU-CQSZACIVSA-N 266.450 4.843 30 10 CJEE Cc1cc(OCC[C@H](C)CCS)ccc1C(C)C 94582774 LUOKWBBKYHOABZ-ZDUSSCGKSA-N 266.450 4.843 30 10 CJEE SCCCCN1c2ccccc2Sc2ccccc21 94586508 PUZWVPHABFNJPL-UHFFFAOYSA-N 287.453 4.999 30 10 CJEE CC(C)CC1(CN[C@@H]2CCCCC[C@@H]2C#N)CCCC1 94878625 GFISPFQRLAFKFW-IAGOWNOFSA-N 276.468 4.655 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccc(C)c(F)c2)cc1C 103030775 LAZGRXCFTOGTLS-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCc1cccc(Oc2ccc(Cl)cc2C#N)c1 104185825 IANJDEBDCCIAAY-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE C=CC[C@H](CC)c1cc(Br)c(OC)cc1OC 107510366 OPJWCFHAKMNLPZ-JTQLQIEISA-N 299.208 4.536 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(CC)ccc1OCC 107668685 FFADSYBEXSYNIR-CABCVRRESA-N 258.405 4.801 30 10 CJEE CCCCCCC[C@@H](C)NCCc1cccc(C)c1 109948030 DCXJPUPZYDETGV-QGZVFWFLSA-N 261.453 4.876 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(F)c1)[C@H](N)CC 109988771 IVBPVCPZRJULMK-MSOLQXFVSA-N 295.442 4.981 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC2(CCCC2)CC1 110027545 VHFYGSHPCGCCGC-GOSISDBHSA-N 294.527 4.721 30 10 CJEE CCCCCCCOc1nnc(Cl)c2ccccc12 110238054 ABJYSQJGOHKFNJ-UHFFFAOYSA-N 278.783 4.632 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C#N)c(Cl)c1 110259906 PCQVWLUGPRTJGV-IAQYHMDHSA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@H](O)Cc1ccn(C2CCCCC2)n1 113997458 RSDKMAITEZKYBG-SFHVURJKSA-N 292.467 4.652 30 10 CJEE CCCCCCCCCCO[C@]1(CN)CC[C@@H](C)C1 114802101 NBPGKZBKIAIBKE-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1Cc2ccccc2N1 122163395 XICPHWDDYZBMLA-KRWDZBQOSA-N 273.420 4.733 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1COc2ccccc21 125017452 LVHNMHTXNUCRFP-QZTJIDSGSA-N 289.463 4.891 30 10 CJEE CCCCCCC[C@@H](C)NCc1cscc1C 125893596 PVJLUDXAFJPMHJ-CQSZACIVSA-N 253.455 4.895 30 10 CJEE CSc1cccc(O[C@@H]2C[C@H](C)CC(C)(C)C2)c1C#N 136709021 MFGRVNYPSOAWDH-QWHCGFSZSA-N 289.444 4.874 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1snnc1C 139458678 WJTXVMRLWJKYNR-CQSZACIVSA-N 283.485 4.638 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CSc2ccccc21 139611590 HGDDYTHGZOCULQ-CABCVRRESA-N 263.450 4.564 30 10 CJEE CCCCCCCC[C@@H](NC)c1snnc1C(C)C 140388341 BBOAXOQUNKNEBX-CYBMUJFWSA-N 283.485 4.673 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CCSC1 143458152 IAOJDNOIQSHPQF-LSDHHAIUSA-N 257.487 4.598 30 10 CJEE CCCCCCCOc1cc(Cl)c(N)cc1C 159158821 GJWLTZNPSRDIML-UHFFFAOYSA-N 255.789 4.580 30 10 CJEE CCCCCCCCn1c(S)nc2cccc(C)c21 161086576 GUQWDYHZRIYLOB-UHFFFAOYSA-N 276.449 4.994 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCc1ccc(C#N)cc1Cl 162971761 AAJRIZRCLYMNBK-CZUORRHYSA-N 277.795 4.697 30 10 CJEE CCCCCCC[C@@H](NC)c1cncc2ccccc12 165157950 OUTPMNNOINIGTC-GOSISDBHSA-N 270.420 4.856 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(CC)s1 167699594 IEJUBIUOBVCOPJ-CQSZACIVSA-N 251.439 4.708 30 10 CJEE C=CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C 196529447 PRLWTCJLCYVORV-UHFFFAOYSA-N 288.732 4.871 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@@H]1Nc1cccc(C#N)c1 214813687 HCPCYLSIKNMWAB-KRWDZBQOSA-N 296.801 4.947 30 10 CJEE Cc1cccc(C#N)c1N(CCC(C)C)C1CCCC1 221084360 MQMSLHMIEMVKQX-UHFFFAOYSA-N 270.420 4.662 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CCOC2(CCCC2)C1 228790003 BZSPMZNYOBYHEJ-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1NCCCCC(C)(C)C#N 232791891 VBAGPFYFWHFIII-CVEARBPZSA-N 264.457 4.511 30 10 CJEE C=CCCCCCC(=O)[C@@H](C)Oc1cccc(Cl)c1 235241786 HNTOTJMHARYGSW-CYBMUJFWSA-N 280.795 4.813 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@@H](O)C2(C#N)CCCCCCC2)C1 235352613 NRPPKLMGAGNMAU-BHYGNILZSA-N 275.436 4.594 30 10 CJEE C[C@@H]1CCC[C@@H](S[C@H](CC#N)c2ccccc2)C1 251850815 OZEZAGHVNKCMAA-FVQBIDKESA-N 259.418 4.953 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc2ccccc2c1 306679095 BDAONAYRWRTUAR-YPKPFQOOSA-N 294.203 4.875 30 10 CJEE N#Cc1ccc(N[C@H]2CCCCC23CCCC3)cc1F 313149083 ROVXKXYXKMVUIH-INIZCTEOSA-N 272.367 4.612 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)CC1 313440398 SEPIUILUTRRPEH-DOTOQJQBSA-N 270.420 4.914 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CCCC(F)(F)C2)CC1 316645190 PMVDKRJYNSKSQK-MOKVOYLWSA-N 258.352 4.597 30 10 CJEE CC1(C)CCC(C=O)(CC(F)(F)c2ccccc2)CC1 317603322 QSOWKKPOTZZHAZ-UHFFFAOYSA-N 280.358 4.954 30 10 CJEE O=CC1(CCCCC2CCOCC2)CCCCCCC1 317666212 FONGTCUNDNERAE-UHFFFAOYSA-N 280.452 4.903 30 10 CJEE C=C[C@@H](C)C1(CNCCC)CCC(C(C)C)CC1 317798833 GSQFTHAOIHMGFS-KLAILNCOSA-N 251.458 4.641 30 10 CJEE C[C@@H]1CC[C@H](C2(C=O)CCC(C)(C)CC2)C[C@H]1C 318867613 DBRTYYIAOIIZMW-KFWWJZLASA-N 250.426 4.844 30 10 CJEE C=C(C)CC[C@@H](NCC)c1c(C)cccc1Br 383887257 TXWZLPMEHITUBF-CQSZACIVSA-N 296.252 4.764 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(OC(C)C)cc1 383966257 DEECEEPWLHIKTM-OAHLLOKOSA-N 275.436 4.727 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cccc(C(F)(F)F)c1 384912916 DTDXNHWSWRYLMG-LLVKDONJSA-N 271.326 4.568 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)F)cc1 386406874 IXWIOOUZAOCFNH-JSGCOSHPSA-N 264.319 4.509 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(C(C)(C)C)cc1 393798592 KHVKPFUECZSELI-WMLDXEAASA-N 259.437 4.989 30 10 CJEE C=C(CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccccc1 394221446 PMDIKGMHCYOQJC-ZIFCJYIRSA-N 269.432 4.504 30 10 CJEE CCC1CCC(C#N)([C@@H](O)CC2CCCCCC2)CC1 394640248 UQPUVPRWGKCGNH-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1ccc(Cl)cc1Cl 395117801 WEAYTWVCPYCQHO-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCCO[C@H](CNC(C)C)C(C)(C)C 396020321 IUZJGYSOKGDAMK-MRXNPFEDSA-N 271.489 4.776 30 10 CJEE CCN(C[C@@H](C#N)C1CCCCC1)c1cccc(C)c1 397365408 RMJBZBQKOGCFKF-QGZVFWFLSA-N 270.420 4.541 30 10 CJEE Cc1ccc(-c2cccc(F)c2C#N)c2ccccc12 400226696 PMZQSRIOTLTHCA-UHFFFAOYSA-N 261.299 4.826 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)cc1Cl 401433575 YXOOAQZBJOSNQT-ZIAGYGMSSA-N 276.811 4.840 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H](C)CC(F)(F)F 402588596 ZZIDSIQULMARHT-KBPBESRZSA-N 296.421 4.938 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 464537423 XLSKWLDZOOCECB-LRDDRELGSA-N 291.822 4.510 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@@H](C)O[C@H]1C 686465179 RLDKAVLJOKRNFM-FGTMMUONSA-N 283.500 4.776 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(C(C)(C)C)cc1 686672747 AURGRIFMQMFWGD-KRWDZBQOSA-N 258.405 4.601 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H](CN)C1CCCC1 686980681 OGOJYBPNMMHDIC-QZTJIDSGSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@H](O)c1ccnn1CC(C)C 687037963 NVQZLCPTZCVAIT-KRWDZBQOSA-N 280.456 4.713 30 10 CJEE CC[C@@H](C)[C@@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316530 UMVJFZQCRFMBEJ-CZUORRHYSA-N 265.441 4.530 30 10 CJEE CCCCCCCCOc1c(CC)cccc1CNC 691358817 BBZWGKMCLONBSJ-UHFFFAOYSA-N 277.452 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2cc(F)ccc21 692191723 UACGBYCGHNQWOX-BXUZGUMPSA-N 290.407 4.772 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C#N 692228715 ZVVHSOKUXMAIMZ-WFASDCNBSA-N 274.795 4.758 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@@H]1CCNC1 695294246 JJUQWAPNSYSBPL-ROUUACIJSA-N 283.500 4.658 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H](CC)CCCC)C[C@@H](C1)C2 697306581 KBGZSZPEJXPBGV-XNHLSEOASA-N 263.469 4.927 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(OC)c(Cl)c3)C[C@@H](C1)C2 697334103 QUDRXLCMIUCMLT-NNQSOWQGSA-N 291.822 4.895 30 10 CJEE CC[C@@H]1N/C(=N/[C@@H]2CCCC(C)(C)CC2)S[C@H]1CC 697623350 UHHIVAXEHBPJJK-RDBSUJKOSA-N 282.497 4.595 30 10 CJEE CC1(C)CCC(C)(C)C1Nc1ccc(C#N)c(Cl)c1 699562810 FJXMXEAFQUMRDB-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE C=CCCC(C)(C)CNCC(C)(C)CC(F)(F)F 704011920 UQUZNXYJCZINDP-UHFFFAOYSA-N 265.363 4.547 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708029149 QBRLFYDLXDXLRJ-FZMZJTMJSA-N 269.310 4.995 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccsc2Cl)C1 710929977 VAHMPZWYJNXUAM-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE C=CCC(C)(C)COCc1cc(CNC(C)(C)C)cs1 711268443 DNNNTDJNLNHTIS-UHFFFAOYSA-N 295.492 4.755 30 10 CJEE CCCCCCCCC[C@H]1[C@@H](NCC)CCN1C(C)C 712133066 ZLSWQLWHUBOLOS-ROUUACIJSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cccc(OCc2ccccc2)c1 715716529 AHCKSCDFSGOVNS-OXJNMPFZSA-N 295.426 4.738 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(N)cc(F)c1 718597936 BUSAXORLNOEJPV-INIZCTEOSA-N 267.388 4.582 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CCC[C@@H]2C)CC1 724554485 XTLUQADMECRNGD-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE CCc1csc2cc(CC#N)c(C(F)(F)F)cc12 725302278 CJFTVDOTZVGUOM-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE 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4.626 30 10 CJEE C=CCCCCCCCCC[C@H](NCC)c1cn[nH]c1 2207424391 DVNYHYOPSMFPTN-KRWDZBQOSA-N 277.456 4.757 30 10 CJEE C=CCCCCCCCCCO[C@@H](C)[C@@H]1CCCCN1 2207436322 KETRXNZXXVSRTA-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1CCC(F)(F)C1 2207437940 QAECWHXUKHDBGL-CABCVRRESA-N 288.426 4.561 30 10 CJEE C=C(C)CC[C@H](NCCC)c1scc(C)c1C 2213653156 CPNOSEJYISAPHA-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE CCCCC[C@H](C)Oc1ccc(C#N)c(Br)c1 2215135078 HFVQJTZILBNVBO-NSHDSACASA-N 296.208 4.668 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCC2CC2)C1 2220011370 LMNOPWHUDFEVGL-RRFJBIMHSA-N 265.466 4.874 30 10 CJEE C=CCCCCCCC[C@@H](O)CC1(CSC)CC1 2220084823 UTKWBCUHCHNAFH-OAHLLOKOSA-N 270.482 4.797 30 10 CJEE C=CCCCCCCC[C@@](C)(O)[C@H]1CCCSC1 2220087159 QQMTVAGUCPQWDJ-JKSUJKDBSA-N 270.482 4.797 30 10 CJEE Cc1sc(Cl)cc1C(=O)C#Cc1ccc(Cl)cc1 2223206634 BEJMRMBLVPQIJA-UHFFFAOYSA-N 295.190 4.598 30 10 CJEE Cc1cc(Cl)cc(Oc2cccc(Cl)c2C#N)c1 2223402036 BFQVRCZHHYKRDK-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2223552844 WIKACOFGAJJEDH-DMRKSPOLSA-N 251.458 4.639 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]2C(F)(F)F)CCCC(F)(F)C1 2224452378 DFRLVSHECQPMIN-AXFHLTTASA-N 281.268 4.684 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](CCC)OCC 2227274107 UTFPOENEXDDXSX-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCO[C@](C)(CC)C1 2227289085 RZDUTFNDBODUKU-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CC1(CN[C@H]2CCC[C@H](C(C)(C)C)C2)CCCC1 2229834144 VKOJKIMTEWGWFF-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C#CCCCC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1 2229866813 YPNZTYVDAAQVDH-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@H](NCC)[C@H]1CC[C@H](CCC)CC1 2229872828 VAMVCWHPZDBSLY-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE C=C[C@H](CCCCC)Oc1cccc(Cl)c1C(=O)O 2231026503 IHQPGDHGDXAMIF-LLVKDONJSA-N 282.767 4.552 30 10 CJEE CCCCCCCCCCCOCCC1(N)CCC1 2231078935 KBFZVVFVKVQCEQ-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H](NCCC)C1 2234047197 UHNWFSSAZYWRQZ-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CCC[C@@H](C)O1 2235197624 VOMWLOWZHSSIRG-SQNIBIBYSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@@H]1C 2235523284 DISRNNLKNFAQOK-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCOC1(CC)CC 2235526621 NCGBMWOTLQMRRS-QGZVFWFLSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@@H](C)CC1 2235531809 DGGFPRVUARTDRP-AEFFLSMTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(F)ccc1OC 2235541967 NHIDBRQORXYPCQ-MRXNPFEDSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(OC)c(F)c1 2235541980 NLNFUDSMFDWEBM-INIZCTEOSA-N 279.399 4.751 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@]1(C)CC=C(C)CC1 2237306463 GJJGPBOOMSFKTD-ZWKOTPCHSA-N 291.555 4.762 30 10 CJEE CCCCCCCCCCCOCC(=O)OCCCC 2239493033 PACBSZWENYDYNY-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE CCCCCCCCCOCC(=O)c1ccc(C)cc1 2239502568 ULIONSRFCLKZIM-UHFFFAOYSA-N 276.420 4.945 30 10 CJEE C=C([C@H](Cc1ccc(C(C)(C)C)cc1)NC)C(C)(C)C 2239902979 UDIDXRAXHSOGBE-KRWDZBQOSA-N 273.464 4.717 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H](C)C(C)(C)C 2240638905 ZJNNFGDWAXFCJZ-RYRKJORJSA-N 285.516 4.888 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1scc(C)c1C 2240639873 KCPRIMQTCKIPSC-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1CC12CCC2 2240639909 KLJAXLYMRVEMMF-RDJZCZTQSA-N 280.452 4.637 30 10 CJEE CC(C)(C)C#CC=CCc1c(F)cccc1Cl 2248471195 QAELSDQSMGNLQC-UHFFFAOYSA-N 250.744 4.627 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C#N)c(Cl)c1 2249948439 ICTLGHNCYHUIKT-GFCCVEGCSA-N 251.757 4.559 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H]2CC2(C)C)C1 2254055227 ZIWAPGBENRFQDK-APIJFGDWSA-N 265.466 4.874 30 10 CJEE C=CCCCCc1sc(CNC2CC2)c(C)c1C 2254695780 JCDWAWGFDJKTAQ-UHFFFAOYSA-N 263.450 4.516 30 10 CJEE C=C1CC(C[C@H](NCC)c2csc(C3CC3)c2)C1 2256046227 OKHFZTQLGFQBHY-HNNXBMFYSA-N 261.434 4.632 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC(SC)C1 2256743983 QPGRDTRMHKPSPL-GPANFISMSA-N 269.498 4.633 30 10 CJEE C=CCCSc1ccc(C)cc1CNC(C)(C)C 2258974929 BSMAVNDOWHGDPX-UHFFFAOYSA-N 263.450 4.551 30 10 CJEE C=CCCSC[C@@H](NCCC)c1ccc(Cl)cc1 2259047753 YZTNFUQKDSAZCB-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H]1CCCCC(F)(F)C1 2259199812 VQWIDGVVKSIQTQ-ZIAGYGMSSA-N 259.384 4.666 30 10 CJEE C=C(C)CC[C@@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2261427493 KHMLJKAIQWOLPI-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](CC(C)C)OCCN 2262550075 GGCXQKMXKZTJHI-INIZCTEOSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](CC)OC 2263717967 MRGUHNRMUDKGLF-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=C1CC([C@@H](NCC)c2ccc3ccsc3c2)C1 2263971833 PEBBFJNTRIKASM-INIZCTEOSA-N 257.402 4.518 30 10 CJEE C=C[C@@](N)(CCC)CCC12CC3CC(CC(C3)C1)C2 2265139183 YAGKLCWVVKVNSD-ARUCBAPRSA-N 261.453 4.667 30 10 CJEE CCCCCCCC[C@H](CCCC[C@H]1C[C@@H]1C)NN 2265707812 UOQPEGFHLPCULF-YESZJQIVSA-N 268.489 4.785 30 10 CJEE Cc1cccc(C(=O)CC=CC#CC(C)(C)C)c1Cl 2268760901 BTOBZTOBRBROKC-UHFFFAOYSA-N 274.791 4.827 30 10 CJEE CC(C)C[C@H](C(C)C)[C@H](N)CC=CC#CC(C)(C)C 2268818157 OMSJIONAEJNNIJ-IAGOWNOFSA-N 263.469 4.628 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1COC2(CCC2)C1 2269372038 RROXDHHGWFUBDT-HNNXBMFYSA-N 266.425 4.655 30 10 CJEE C[C@@H]1CC(=O)C=C(c2ccc(C(F)(F)F)cc2Cl)C1 2269710801 GEJYRSIXYGMBMY-QMMMGPOBSA-N 288.696 4.741 30 10 CJEE C=CCCCCCCCSCc1sc(=NC)[nH]c1C 2271589492 GMQUMRAVMMFDBS-UHFFFAOYSA-N 298.521 4.675 30 10 CJEE C=C(C)CCCC[C@@H](NN)[C@H]1CCCC(C)(C)CC1 2271778842 SSSYCHPINBXMAY-JKSUJKDBSA-N 266.473 4.561 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(C)c(C)n1 2271840744 FPJJRNGZVURRRT-KRWDZBQOSA-N 262.441 4.623 30 10 CJEE CC1(CSc2ccc(C(F)(F)F)cc2C#N)CCC1 2274610013 GVPSXKBRYDJAJL-UHFFFAOYSA-N 285.334 4.859 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)[C@@H](CC)C(C)C 2276152662 KJZGNAHVKYAFBT-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@]1(OCCN)CC(C)(C)C1(C)C 2277227470 JULZBOMORAUQRF-KRWDZBQOSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@@](C)(CCN)O1 2278124859 OBNQBZZTHGEMEC-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1CCCCC12CCC2 2284072276 CPJUSFLIDMDMQL-SJORKVTESA-N 273.464 4.670 30 10 CJEE C#C[C@@H](Nc1nc(C)cc2sccc12)C1CCCCC1 2286135349 JPQHDQKGBKRZDU-OAHLLOKOSA-N 284.428 4.599 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C(C)C)[nH]n1 2287383046 CUFWLFOAZSIJKF-OAHLLOKOSA-N 277.456 4.710 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)[C@@H]1CC 2288896345 UANNERSWGHKIKF-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CC(C)(C)CC1CC(C[C@](C)(C=O)c2ccccc2)C1 2289876735 PVZPFJPLWNPTBS-LADRWXRNSA-N 272.432 4.996 30 10 CJEE CC(C)(C)c1cccc([C@H](C#N)C(=O)c2cccs2)c1 2290190688 NFCIEVLHXIRIJT-AWEZNQCLSA-N 283.396 4.536 30 10 CJEE CCCCCCCC1(OCC(=O)O)C[C@@H](C)C[C@H](C)C1 2290917935 MJKJDWHBLNGIID-GJZGRUSLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)c1cscc1C 2291935731 YYZYKHDTGYPFFE-HNNXBMFYSA-N 298.448 4.949 30 10 CJEE C=C(C(F)(F)F)[C@@](C)(CCCCCCC)OCCCN 2293263662 PNPKEOKTGBTAAN-CQSZACIVSA-N 295.389 4.590 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC2(CCCCC2)C1 2293704724 CRYYKZSEMZMOQI-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCCCC[C@@](C)(OCCN)C(F)F 2293747139 DHBKJKHYODYVKF-MRXNPFEDSA-N 291.426 4.682 30 10 CJEE C=C(C(C)(C)C)[C@@](CC)(CC1CCCCC1)OCCN 2294252871 WMRNXVDTGOTVDC-GOSISDBHSA-N 281.484 4.683 30 10 CJEE Cc1ccsc1C=CC(=O)c1ccccc1Cl 2294300162 YYOSGUNJRLPCOF-UHFFFAOYSA-N 262.761 4.606 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1C 2294300326 FGSZXJPGPTURBI-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE Cc1ccc(NCc2ccc(C(F)(F)F)s2)cc1C#N 2295066805 ZNZMDAFANOGNSO-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CC1CC=CC1 2295677289 SCXKWVXYFAAXQM-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)cc1Cl 2304041353 NEYOTHWIHSAZTL-UONOGXRCSA-N 272.219 4.986 30 10 CJEE C=CCC(CC=C)SCCN[C@@H](C)c1cccs1 2313686913 RCULLAKEROQISR-ZDUSSCGKSA-N 281.490 4.653 30 10 CJEE CC[C@@](C)(C(=O)C1=CC[C@H](C(C)C)CC1)C(F)F 2315009064 RFSONNWQSSZONS-NHYWBVRUSA-N 258.352 4.619 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1ccc(F)c(C)c1Cl 2316582823 CUWDBXVNHOKGRA-ZUZCIYMTSA-N 269.791 4.650 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H](C)C(C)(C)C)NCC 2316745845 BGTZMFHVHCSEAN-HOCLYGCPSA-N 251.458 4.805 30 10 CJEE CC#CCCCCNCc1ccc(Cl)c(Cl)c1C 2317026736 VTQIJECLMBGFRM-UHFFFAOYSA-N 284.230 4.585 30 10 CJEE CCCCCCCCC[C@](C)(O)C1(C(F)F)CC1 2317542960 BVNFMGPRXJUBNK-AWEZNQCLSA-N 262.384 4.923 30 10 CJEE C#CCCCCOCCCc1cc(Cl)cc(Cl)c1 2318637009 LHLUMFOODIQHMJ-UHFFFAOYSA-N 285.214 4.746 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C 2320103122 LOBBWIKOWYFPGA-FZKCQIBNSA-N 251.458 4.639 30 10 CJEE CCC#CC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2325218234 MNZSQAOTLQENSK-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CC(C)CN(CC(C)C)C[C@@](C)(CS)C(C)(C)C 2327098308 ZSVVGKJYPYNQDL-INIZCTEOSA-N 273.530 4.583 30 10 CJEE CC(C)(C)[C@@H]1C[C@H]1COC[C@](C)(CS)C(C)(C)C 2327106982 RSKYWZDQMKBSQP-WOSRLPQWSA-N 272.498 4.667 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CC2 2330443736 ZFSNCBYAGMDYEE-CXTNEJHOSA-N 265.347 4.532 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@H](COC)C2)C1 2331336626 RAHDYWYLHNIDTG-NCOADZHNSA-N 263.425 4.549 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 2338738583 NOBDARPHYQSDLB-STQMWFEESA-N 274.326 4.693 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]21 2338739041 RRENOHIJOQYEHG-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C(C)(C)CC(F)(F)F 2338743589 GXYLEOBENQWQFD-CYBMUJFWSA-N 277.374 4.712 30 10 CJEE CC(C)(C#N)CCCOC[C@H]1C[C@H]2CCC[C@H]1CC2 2338915922 OEZXMQAKBGXNJP-HRCADAONSA-N 263.425 4.549 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccc(F)cc1C1CC1 2339203549 WQLBQIXTSBZYMV-MRXNPFEDSA-N 265.347 4.617 30 10 CJEE C=CC1(CNC[C@@H]2CC[C@H]2C(C)(C)C)CCCCC1 2343268605 MTPNNIVWBDCGAR-JKSUJKDBSA-N 263.469 4.785 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(F)cc1C 2344337332 PSAHXEYMVZQRAJ-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C(F)F)cc1 2344350164 ZKNSXHGAMRGUQP-AWEZNQCLSA-N 267.363 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1C2(CC2)C12CC2)NCC 2344376863 RIDPDTZHBXYADQ-HOTGVXAUSA-N 261.453 4.537 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC[C@@]12CCC[C@@H]1C2)NCC 2344384175 KWYPSHLHFUUAIE-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)CC1 2352081536 DJEFZMPVZBLMBJ-VYDXJSESSA-N 285.541 4.869 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353057644 WPIBJCDAASHADH-FRRDWIJNSA-N 296.241 4.754 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@H]1CC)NC 2353997547 GNRJYBIAGRCMCU-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CC[C@H]1OC)NC 2358696080 IGVUUAZKRXIVJQ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC[C@@H]1C[C@H]1C 2359394593 QXHSBVWSAFNZHY-KURKYZTESA-N 275.480 4.787 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@]12CCCC[C@@H]1CC2 2359890629 HBMNPSOUDXMNPO-CEXWTWQISA-N 273.464 4.519 30 10 CJEE CCCCC#CC[C@H](NC)c1cc(C)c(OC)c(Cl)c1 2360217832 SACKYPNXGSZWIH-INIZCTEOSA-N 293.838 4.501 30 10 CJEE Cc1cccc2nc(-c3ccc(Cl)cc3)c([C@@H](C)C#N)n12 31921289 HBFIRSYYGKQZJU-NSHDSACASA-N 295.773 4.590 30 10 CJEE C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 35736860 VKUROSLSPQCEEV-VIFPVBQESA-N 296.317 4.812 30 10 CJEE CCN(C1CCCC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 35766040 TWWVZAXEVBMGPC-JFIYKMOQSA-N 290.495 4.996 30 10 CJEE Cc1ccccc1C1CC(Nc2cc(Cl)ccc2C#N)C1 36954545 SIEODUFKDMTFKY-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE CCc1cccc(C)c1N[C@H](C)c1ccc(C#N)cc1 37763772 LXNDUNNATCHQLJ-CQSZACIVSA-N 264.372 4.602 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCCCc2ccccc21 37938271 HBBADHKVXGBNSI-GOSISDBHSA-N 296.801 4.897 30 10 CJEE CCCCCCC#Cc1cscc1Br 59191946 KTJVNIAXMXJVMI-UHFFFAOYSA-N 271.223 4.833 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(C(=O)O)c1 59207922 NANSHWBOJLLQHX-ZDUSSCGKSA-N 263.381 4.546 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1CCCc2sccc21 61364102 DYMHQTTVMKSFDF-ZDUSSCGKSA-N 288.803 4.763 30 10 CJEE C=CCOc1ccccc1CNCC[C@H]1CCC[C@@H](C)C1 70546958 MMIQRZWJUKDJKS-IAGOWNOFSA-N 287.447 4.557 30 10 CJEE C[C@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)CC1 86881861 QAJWGUNWEHYHLM-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE N#C[C@@]1(Cc2ccc(F)cc2Cl)CCc2ccccc2C1 87998232 AIKHSJCPSBZALM-SFHVURJKSA-N 299.776 4.720 30 10 CJEE Cc1c(C#N)c2cccc(Cl)c2n1Cc1ccccc1 90562851 MRECRJIQLIBGNN-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCC(C)(C)c1ccc(OC[C@H](CS)C(C)C)cc1 94582856 TWXMWEKZOWVCKL-CQSZACIVSA-N 280.477 4.955 30 10 CJEE C=C(C)C[C@H](NCCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97283272 OJQOBRCSLDWXFC-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CCCCCCCN(CCC(=O)O)c1ccc(C)cc1C 105478908 YGDDSHZWTIOZBU-UHFFFAOYSA-N 291.435 4.555 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCCCc2ccccc21 109945395 QONCYAPYKBLOGL-SFHVURJKSA-N 276.383 4.746 30 10 CJEE Cc1ccc(C#N)c(NCc2ccc(C(C)C)cc2)c1 110257355 NYUGSYOHUNUCOB-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE N#Cc1cc(Cl)ccc1O[C@H]1CCCc2ccccc21 110260005 XXROYAIZVLZRJT-KRWDZBQOSA-N 283.758 4.668 30 10 CJEE N#Cc1ccc(Sc2ccc3c(c2)CCC3)cc1Cl 110354145 HYLCTLRHZFITCF-UHFFFAOYSA-N 285.799 4.852 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)(C)C)CCOC1 110465166 OLNZPDUEIWGXHN-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2nccnc2c1 112319961 NRBCUXJFRVZNQM-SFHVURJKSA-N 286.419 4.804 30 10 CJEE CCCCCCCN[C@@H](C)Cc1ccc(C)s1 112972562 YBLDVZSGQHMRMH-ZDUSSCGKSA-N 253.455 4.548 30 10 CJEE CCCCCCCCOC1(CN)CCC(C(C)C)CC1 112986438 FEXJGQDEBVGTMD-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](CSCCC)NCC 114862005 SCSOHKSQDKBGMN-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OCC)cc1 115062479 HQRSOYGGVXTCTF-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCOc2ccccc21 116260217 KZIIHMBSYCBDQK-DOTOQJQBSA-N 276.420 4.664 30 10 CJEE CCCCCCC[C@H](NN)c1cc2sccc2s1 122325728 NFZBDZXMAXIELR-NSHDSACASA-N 282.478 4.828 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(C)nc1C 122646718 ZOEHVYAEEPUNGV-GOSISDBHSA-N 291.483 4.734 30 10 CJEE C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)CC(C)(C)C1 125728782 JTJDWXAGXBKKFM-DGCLKSJQSA-N 276.811 4.838 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccc(C)s2)c1C#N 127021891 HQXWAQLMWRQPPX-NSHDSACASA-N 288.441 4.823 30 10 CJEE CCCCCCCCCCn1c(C)c(C)c(C#N)c1N 129452234 VAGCODKFZZQXJD-UHFFFAOYSA-N 275.440 4.700 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)s1 130334111 JWHGGMMMLYCZMH-NSHDSACASA-N 274.861 4.657 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Br)ccc1C 131961262 JZYSAFAASNECNB-LLVKDONJSA-N 268.198 4.524 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCCO1)NC 134532717 WHDAEEWQXNHNDO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(OC(F)(F)F)cc2)c1 134992805 GTSUJCMLECDZRK-UHFFFAOYSA-N 293.244 4.558 30 10 CJEE CCCCCCCCC(=O)c1ccncc1Cl 135448856 RBFFRXWYYKQWND-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE C=C(CNc1ccc(OC(F)(F)F)cc1)c1ccccc1 148005141 WYEJCSFAZMEUBC-UHFFFAOYSA-N 293.288 4.711 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC(C)(C)C[C@@H]2C)c1 156058121 GVSLQTOXLNCAIJ-WMLDXEAASA-N 256.393 4.516 30 10 CJEE Cc1cc(Sc2ccc(C(C)C)cc2)c(C#N)c(C)n1 156821208 DUVZWMOJGXKOIC-UHFFFAOYSA-N 282.412 4.845 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ccccc2)cc1C#N 218492074 YSMDZZKEDXIJNK-RDTXWAMCSA-N 291.398 4.611 30 10 CJEE Cc1ccc(Cl)c(Nc2c(F)cc(C#N)cc2F)c1 232244877 SBKQVLVUCHIHAG-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(C)cc1Cl)NN 232948824 IHJOBQQPQGDYKB-MRXNPFEDSA-N 296.886 4.773 30 10 CJEE C=CCCCCC[C@@H](CS[C@H](C)CC)NCC 233536710 DEGNPYJNHPHIKE-CABCVRRESA-N 257.487 4.633 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)C)NC[C@H]1C(C)C 250836547 VHAWQUBXSOYDSV-MOPGFXCFSA-N 296.543 4.691 30 10 CJEE COc1c(C=Nc2cccc(C)c2)sc2ccccc12 254518441 HMRBRKJURSZGKF-UHFFFAOYSA-N 281.380 4.969 30 10 CJEE CC(C)(CC#N)c1cc(-c2ccc(F)cc2)ccc1F 260642661 RWPKIKYMCOJXCN-UHFFFAOYSA-N 271.310 4.823 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(C)cc(C)n2)C1 299947766 BAEYESMHOLYJFN-BZUAXINKSA-N 288.460 4.899 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CC(C)C)NN 300994095 WBIJTEFMTOIVCJ-HOTGVXAUSA-N 256.478 4.641 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 308061254 ZWKSNTWLFJIOBL-FZMZJTMJSA-N 295.785 4.728 30 10 CJEE CC[C@H]1CC[C@](C#N)(CCc2ccc(Cl)cc2)C1 308528890 RHPCICQUODJQAZ-BBRMVZONSA-N 261.796 4.993 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1cccc(Cl)c1F 310120703 UPFJYKGWTXEYCQ-JQWIXIFHSA-N 253.748 4.768 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2Cc3ccccc32)C1 311396411 SOYMRZAIVLJAJI-UWWQBHOKSA-N 253.389 4.827 30 10 CJEE CCCCCCCCC[C@H](O)c1ccnn1C(C)C 311478526 KFWULKVTSGOAHH-INIZCTEOSA-N 266.429 4.638 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CC[C@@H](C)c2ccccc21 311831030 GFUIWFXAARWVJP-RHSMWYFYSA-N 257.421 4.817 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@]2(C#N)CCc3ccccc3C2)C1 312503099 KQTPAOWDRCJIKV-LZQZEXGQSA-N 267.416 4.902 30 10 CJEE C#C[C@H](NCc1cc(Cl)sc1Cl)c1ccccc1 312747041 PIOXBLKXALPJQN-LBPRGKRZSA-N 296.222 4.519 30 10 CJEE CCCN(CC(C)C)c1ccc(C#N)c2ccccc12 313468216 FLEAKNQHNVHYTE-UHFFFAOYSA-N 266.388 4.584 30 10 CJEE O=CC1(C[C@H]2CCCCC2(F)F)CCCCCC1 316579954 MKHCBAOWYRKJMO-CYBMUJFWSA-N 258.352 4.742 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCC(F)(F)C2)C1 316998344 NYPKGSRIFSTMRA-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1ccc(Br)cc1 319627763 ANRJXCRBOPLEGP-COPLHBTASA-N 280.209 4.738 30 10 CJEE N#C[C@]1(C[C@H]2CCCCC2(F)F)CCc2ccccc21 382230974 VHCMGSISPJBVDU-GDBMZVCRSA-N 275.342 4.610 30 10 CJEE CCN(CC(C)(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 383858704 SFVODNYZFJYXSG-HRCADAONSA-N 278.484 4.709 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCC)C(C)(C)C 387008515 AQULUDUUSKNAHE-QGZVFWFLSA-N 270.505 4.575 30 10 CJEE C[C@]1(c2cc(Cl)ccc2Cl)CCC[C@H](CC#N)O1 394078223 FQOOSYAPQOQBQS-BXUZGUMPSA-N 284.186 4.691 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCc2c(F)cccc2F)C1 403046261 ZNLNDQWFZUZJSA-WBMJQRKESA-N 263.331 4.617 30 10 CJEE C=CCC(CC=C)C(=O)N(C)Cc1ccc(C(C)C)cc1 467738762 YSZHKPALAZSDGT-UHFFFAOYSA-N 285.431 4.537 30 10 CJEE N#Cc1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1 514260974 HSUCSRBAHCFCFH-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cocc1C 529137232 PVKZCNMKKCPMNJ-UHFFFAOYSA-N 283.371 4.692 30 10 CJEE Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 575379490 DJEMSUNJVSEQSG-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 691086423 FMNNHBLLSGZBOB-LESCRADOSA-N 270.420 4.568 30 10 CJEE C=CCOCCCNC1CCCCCCCCCCC1 691848858 PJIOECDKNWKWOC-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](N)CCC 696468030 MUNQDSAQWREDSS-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE CCCCCCCCCCN1C[C@H](C)C(=NO)[C@@H](C)C1 696554212 IBSVWNHGORSYJG-HOTGVXAUSA-N 282.472 4.545 30 10 CJEE C[C@@](C#N)(CCCOC1CCCCC1)c1ccccc1 699952514 AWZFAFIKIFNOBF-SFHVURJKSA-N 271.404 4.597 30 10 CJEE CC1(C)CC(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 701486813 WNHHQZQLTFPSSN-LLVKDONJSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCCCC(=O)[C@]12COC[C@H]1C2 701903923 IJUFYBFUZDJGMT-SJLPKXTDSA-N 280.452 4.903 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc2cnccc12 702761464 VREZIGJDGMVYAE-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCC12CCOCC2 704448626 GGYCYDXTZQCKAW-GOSISDBHSA-N 281.484 4.805 30 10 CJEE C=CC[C@@H](C)Nc1ccc(OC(F)(F)F)cc1Cl 715007521 XYSLRKGQZILHEX-MRVPVSSYSA-N 279.689 4.615 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 715720123 LJLRCICCFOOGKQ-OXQOHEQNSA-N 295.426 4.738 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCc2ccns2)C1 719897673 ILOCKSDDJZGAJG-UHFFFAOYSA-N 276.449 4.822 30 10 CJEE C=C1CCC(CN[C@H](c2cccs2)C2CC2)CC1 724440569 GINLZYWVTVLKGZ-INIZCTEOSA-N 261.434 4.535 30 10 CJEE C=C1CCC(C[C@H](O)CSc2ccc(C)cc2)CC1 724552559 NLNPSOHHXPVSKI-INIZCTEOSA-N 276.445 4.585 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(F)c(Cl)cc2F)CC1 724596458 LJUPFSHIBNMWLY-HNNXBMFYSA-N 285.765 4.755 30 10 CJEE CCCCCC/N=C1/N[C@@H](C2CCCCC2)CCS1 725085832 SSMGYCXPPHQRAT-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE N#CCc1c(C(F)F)cc2ccsc2c1OC(F)F 725293775 REKUOLIWIXLCIB-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C=CCC[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 773067862 HRPZKVCJXRIVLD-MOPGFXCFSA-N 299.458 4.775 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1c(C)cccc1Cl 865282200 PZDIVNLSRQVYSV-GFCCVEGCSA-N 297.851 4.675 30 10 CJEE O=C1/C(=C\c2ccc(Cl)c(Cl)c2)Nc2ccccc21 1088708470 HWGIONSTYFNUMR-RIYZIHGNSA-N 290.149 4.643 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](C)C[C@H](C)CC)c1ccccc1 1126433074 SBLWPEZKDMXHEC-RYRKJORJSA-N 287.447 4.677 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@H](CC1CCCCC1)C(C)C 1129234715 XZCQMMFFSLHOGP-QGZVFWFLSA-N 293.495 4.948 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CCC)cc1 1130903827 AGADSPMCRGDJOT-WMZOPIPTSA-N 285.431 4.504 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccccc1O[C@H](C)C#N 1180301413 NNXIUZAVIVCYIE-HZPDHXFCSA-N 286.419 4.914 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCCc2c(F)cccc21 1182108266 BSGCKNCYOHWOKF-RDTXWAMCSA-N 275.411 4.928 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OCCC)c(OC)c1 1207027320 XXFPPLJPZAOHCX-CQSZACIVSA-N 277.408 4.641 30 10 CJEE C=CC(C)(C)CCCNC[C@@H](C)C1CCCCC1 1207447666 FEWLAWHEWYIAMI-OAHLLOKOSA-N 251.458 4.785 30 10 CJEE CC#CCCCC(=O)N(CC(C)C)[C@H](CC)c1ccccc1 1264998668 VBFWROVJRGPCKW-LJQANCHMSA-N 299.458 4.816 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccccc1-c1nnc(C)o1 1321944553 ZZVBUSBYRODOEK-CQSZACIVSA-N 299.418 4.982 30 10 CJEE C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 1353746242 KOUMUAYMLADUCV-OKZBNKHCSA-N 297.442 4.812 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H](C)CC(C)C)c1 1439930807 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CCCCCCCN(C)C1CCC2(CCS2)CC1 2260060755 RZUHWWPENULOLY-UHFFFAOYSA-N 269.498 4.707 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCCC1(C)C 2263210046 ONKDEOAGJLJLMA-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)CCCCCCCCC 2263710883 GCUVPVZVYYUPOE-IRXDYDNUSA-N 251.458 4.907 30 10 CJEE CC[C@@H](CCC(C)C)Nc1cc(C)c(C#N)c(C)c1 2265847926 QCEKNKDSNZFDIV-HNNXBMFYSA-N 258.409 4.802 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(F)cc(C)cc1F 2268233805 NAIHQAICJSMXCO-OAHLLOKOSA-N 267.363 4.670 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@H]1CC12CCC2 2268411884 QHZXTJRVNLRQLO-UONOGXRCSA-N 273.445 4.955 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1csc(C)c1C 2273965406 LCPKKFYLCNYMNG-KRWDZBQOSA-N 275.461 4.599 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1cccc(Cl)c1Cl 2274051243 QQFHWVZOSIXYBW-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE C=CCCCCCCCC[C@](C)(CC)OCC(=O)O 2275247711 BKYHVHZLFNZPRO-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCCCC[C@H](OCCCN)C(C)C 2276154912 PXOCLSWQYGTKFY-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@@H](C=C1CCC1)OCCCN 2276198817 UXUSTXYSQCHVAQ-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2sccc2Cl)CCC1 2276812014 FVIUSAGIFMGSGS-CYBMUJFWSA-N 299.867 4.554 30 10 CJEE CCCCCCCC[C@](C)(CC1(C)CC1)OCCN 2277312505 SBYDMFVDVPIXLK-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC2(C)CC(F)(F)C2)CC1 2278136557 DQWWNEMODASEDF-HNNXBMFYSA-N 272.379 4.988 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1CCO[C@@H]1C 2278167813 XNBVLAJDCDPBFJ-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)[C@@H]1CCCO1 2278232346 DAACHIUPTJOJCI-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@@H](C)O1 2278239462 ZCHCFWYXFFONJA-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C(C)=C(C)C 2278245004 LILMOEACAQGQOB-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE CNC[C@@]1(CC=CC#CC(C)(C)C)CCCC(C)(C)C1 2284080794 RRAIZZBDRVVMOV-IBGZPJMESA-N 275.480 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1c(F)ccc(Cl)c1F 2284086536 SAUWCBMLMZGVMS-ZDUSSCGKSA-N 297.776 4.614 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CCC(C2CCC2)CC1 2284108837 XOXPYRVTCQNKCG-UHFFFAOYSA-N 273.464 4.670 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@]1(C)COC)NCCC 2284669631 MWGHPWHEYKBKGI-KURKYZTESA-N 283.500 4.778 30 10 CJEE Cc1ccc(Oc2cccc3c2CCCC3)c(C#N)c1 2285251740 RQBJWFONTCQGGD-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE CCCN[C@@](C#N)(CSCCC1CCC1)C[C@H](C)CC 2285701389 MYJCITMOZOIGTB-WBVHZDCISA-N 296.524 4.608 30 10 CJEE C=CCCCCCCCSCc1cnc(NCC)cn1 2287188864 HDZCDUFSPDVPKN-UHFFFAOYSA-N 293.480 4.668 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccccc1OC 2287415540 VIWYYPIMGNPWCN-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1 2287671642 ACPFEVCHRNLUGB-SOLBZPMBSA-N 281.484 4.528 30 10 CJEE CCC[C@@H](CC)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 2287676437 YPDDPPSPQALVNL-CABCVRRESA-N 279.468 4.920 30 10 CJEE C#CC1(NCCCCC[C@H]2C[C@@H]2C)CC2(CCCC2)C1 2288208143 NROXNUJHZNFRRM-IRXDYDNUSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@]12CCCC[C@@H]1CC2 2289688136 ROYMXCSABVWQOR-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)CSC1CCCCC1 2289709005 AEKOOOMMKXJYJW-QGZVFWFLSA-N 293.520 4.614 30 10 CJEE O=C(CC#CC1CCCC1)[C@H]1CC[C@H](C(F)(F)F)CC1 2289902133 XVMFDIOXGKRQCT-HDJSIYSDSA-N 286.337 4.508 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1[C@H](O)C(C)(C)CCC1(C)C 2290228372 BWZLTQCOQNPJBC-PMPSAXMXSA-N 282.468 4.714 30 10 CJEE CCCC#C[C@H](CCCCCCCCC)OCCCN 2292610034 YOAXHALRJLSSPD-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1ccc(C)cc1 2292806620 SFTCIUASSJTQEB-GOSISDBHSA-N 275.436 4.538 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCCC12CCC2 2292909304 NRLJOCJOJLQQSE-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCCC[C@@H]1C(C)C 2293140352 ZSIIWRKSIFWXJT-KSZLIROESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1(C)CC(C)C1 2293410268 INUHQDYGOIYJOS-LXPRWKDFSA-N 283.500 4.907 30 10 CJEE CCc1ccc(C(=O)C=CNc2ccc(C)c(C)c2)cc1 2293520703 OUWIWLPZTVQEKE-UHFFFAOYSA-N 279.383 4.674 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@H](C)[C@H]1C 2293655571 RQAGIXRNMAQLBS-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC[C@@H](C)CC1 2294016041 SPIDMVIMCVLRAK-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C[C@@](C#N)(c1ccccc1)C1C2CC3CC(C2)CC1C3 2294866067 VUCRCKWSEQNDKL-JGQSZJPNSA-N 265.400 4.540 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@@H]2C[C@H]2CO1 2295691356 KUZAPFHMMBFIDG-XSLAGTTESA-N 281.484 4.530 30 10 CJEE CCCC[C@H](CC)CSCCOc1ccccc1C#N 2295794516 HFXDONJSGKOTDL-HNNXBMFYSA-N 291.460 4.887 30 10 CJEE C=CCCC[C@@H](N)c1ccc2oc3ccccc3c2c1 2295800648 ZPLZSPPIEAQGQI-MRXNPFEDSA-N 265.356 4.942 30 10 CJEE C[C@H]1CC[C@H](CSC[C@H](CS)C2CCC2)CC1 2298955175 NSXBJLOQRCFAMW-YDHLFZDLSA-N 272.523 4.892 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(Cl)c1F 2304079092 QVRXDJZSHBPFMB-CQSZACIVSA-N 254.732 4.654 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@@H]2CN[C@H]1C2 2308478327 SQHIXSCNVMGTTM-PMPSAXMXSA-N 255.421 4.607 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309167410 JPCTXTFKPNHPNV-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE CCC=CCCNc1ccccc1SC[C@H](C)C#N 2309268173 KVZCTNSZNDUQMQ-CQSZACIVSA-N 274.433 4.707 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC2(CCCCC2)[C@@H]1N 2313525733 ZTEOKFIOTAHKCI-SOUVJXGZSA-N 267.482 4.515 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC(CC(C)C)CC(C)C 2315465746 OYUKXIMOUAJBDI-NVXWUHKLSA-N 251.458 4.782 30 10 CJEE Cc1c(F)ccc(COCC[C@H](C)CCS)c1Cl 2317206107 LJHTWPSBFLEXRJ-JTQLQIEISA-N 290.831 4.650 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)C1CC(C)(C)C1 2321130676 LBUGNRPSIJQHEP-RDJZCZTQSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@]1(C)CCCC1(F)F 2321237392 MFHLTRFTZPQKIR-MELADBBJSA-N 260.368 4.555 30 10 CJEE CCC(=NOCc1cccc(C#N)c1)c1ccc(C)c(C)c1 2330246477 NMOSEGFMXBGIPV-UHFFFAOYSA-N 292.382 4.506 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@]23CCCC[C@@H]2C3)CC1 2332327456 KXWHAWJOTHCMOA-KZNAEPCWSA-N 261.453 4.681 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccc(C)s1 2335096464 NEKKYWWSUPSJRN-HNNXBMFYSA-N 295.517 4.961 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(C(C)C)cc1 2335104121 WCHJVESSGGBSML-OAHLLOKOSA-N 257.421 4.981 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@](C)(CC)C(F)F 2336599229 HFXWRUVRZHIXTF-GDBMZVCRSA-N 273.411 4.620 30 10 CJEE Cc1c([C@@H](N)C#CC2CCCCC2)ccc(Cl)c1Cl 2339024750 OOURDOJZVSXOKK-HNNXBMFYSA-N 296.241 4.885 30 10 CJEE CC(F)(F)CCC(=O)CCCCC(F)(F)C(F)(F)F 2342329027 NGWHPGLJQBKBBT-UHFFFAOYSA-N 296.226 4.749 30 10 CJEE C=CC[C@@H](C)C(=O)[C@H](c1ccccc1)C1CCCC1 2342372656 HSZGQXMJWDBKFV-RHSMWYFYSA-N 256.389 4.742 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(F)ccc1C(F)F 2344349764 WACDZDPJRJUEDE-HIFRSBDPSA-N 271.326 4.756 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc2c1CCCC2 2344477193 RMDKUAWNLVNQOX-QZTJIDSGSA-N 258.405 4.591 30 10 CJEE CSc1cc(NC(C)(C)CC(C)(C)C)ccc1C#N 2353851144 ZGSWOMCMBBKNSH-UHFFFAOYSA-N 276.449 4.907 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 2353912990 CPZGTDYMHZYNNB-NCXUSEDFSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCC[C@@H]1C[C@@H]1C)NCC 2356072387 NDHVGQWBQVFMRF-BSDSXHPESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCN1C[C@H]2C[C@H](C(F)(F)F)[C@H]2C1 2359243846 IMJPCJDNYYOXNG-ILXRZTDVSA-N 289.385 4.643 30 10 CJEE CCCCCCCC[C@H](C)C[C@H](C)C(=O)NCC 3033017 JQVPIQYJMCCSHY-GJZGRUSLSA-N 255.446 4.535 30 10 CJEE C(=N/c1cccc(-c2nc3ccccc3o2)c1)\c1ccc[nH]1 6603280 HIKBEDZWQVHWQJ-UDWIEESQSA-N 287.322 4.574 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(SC)cc2)c1 19877035 GLPUYPGVRLLTGU-ZDUSSCGKSA-N 267.397 4.563 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1ccc2ccccc2c1 37938880 QSPHPCURLBMPDY-SFHVURJKSA-N 276.314 4.656 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccc(Cl)s2)C1 48972019 NPMNEEQKZVEDGZ-MBNYWOFBSA-N 296.867 4.552 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)c(C)c1 50429402 XJVBRXFQJUIAFE-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE N#CC[C@H](Sc1ccccc1F)c1ccccc1 55022393 GWRSDIQHLFTLRV-AWEZNQCLSA-N 257.333 4.573 30 10 CJEE Cc1ccc(C)c([C@H](C#N)Cc2ccccc2Cl)c1 57724220 LVPIUZLQNCLQTL-HNNXBMFYSA-N 269.775 4.807 30 10 CJEE CC(=O)c1cccc(/N=C/c2c(Cl)cccc2Cl)c1 59514016 ZLWNWYWDAYNEHF-GIJQJNRQSA-N 292.165 4.947 30 10 CJEE CCOc1cccc(/N=C/c2cccn2-c2ccccc2)c1 59679118 WCXOPMLEIUTHMW-HMMYKYKNSA-N 290.366 4.627 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)cc1C(F)(F)F 69372897 LXSJOQJZSYBWML-GFCCVEGCSA-N 284.325 4.958 30 10 CJEE Cc1ccccc1-c1nc(C(C)C)c(CS)s1 82429431 ZTFQKLOHHXAYFV-UHFFFAOYSA-N 263.431 4.672 30 10 CJEE Cc1cc(C)c2nc(C(C)(C)C)cc(CS)c2c1 82471129 DQUSARJJDMXBKD-UHFFFAOYSA-N 259.418 4.579 30 10 CJEE CCCCCCCCC[C@](C)(O)CCNCC(C)C 91503298 SRKLEZZEJBMKQG-KRWDZBQOSA-N 271.489 4.514 30 10 CJEE CC1(C)CCCC[C@H]1Nc1ccc(Cl)cc1C#N 94326298 BFCJEGIDQNQSNZ-CQSZACIVSA-N 262.784 4.592 30 10 CJEE SCCCCCCSc1cc2ccccc2[nH]1 94631075 KOZXPMLRIBSVQR-UHFFFAOYSA-N 265.447 4.750 30 10 CJEE CCCCCCCO[C@]1(CNC2CC2)CCC[C@H](C)C1 110067922 NTUCHYQZPCLGMZ-FUHWJXTLSA-N 281.484 4.674 30 10 CJEE CCCCCCCO[C@@H](CNCC)c1ccccc1Cl 110067986 OLLUTRNHEIRHAX-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE CCCCCCCCO[C@@]1(CNCC)CCC[C@H](C)C1 110070376 CLMWCWORCVQNNP-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCN[C@H](C)c1ccc(C)o1 110164873 PDWHZXMPWBCLSF-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE CCN(c1cccc(C)c1)c1ccc(Cl)cc1C#N 110254640 LZVARIDQDDDHPP-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC(C(C)(C)C)CC2)C1 110265343 HSLFTHRZBQZEIW-LZLYRXPVSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCCCn1cc(C(=O)O)cn1 110371917 XRANQXNVBCJRTO-UHFFFAOYSA-N 280.412 4.502 30 10 CJEE CCCCCCCCCOc1cc(F)c(N)cc1F 111611429 URTBVDVRUCYXHP-UHFFFAOYSA-N 271.351 4.676 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2CC[C@@H]1O2 112314020 WGVOFFVAFGKKPY-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 113047572 VJWXYEMGXKJZQB-ABAIWWIYSA-N 296.336 4.958 30 10 CJEE CCCCCCCCCn1cccc1[C@H](C)NCC 118238286 PVOFGOIDZNQXSD-INIZCTEOSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCNc1nc(Cl)ncc1C 124884773 ZFWRMAMBYAFYNZ-UHFFFAOYSA-N 283.847 4.991 30 10 CJEE CCCCCCCCCC1(C2CCCC2)CNC1 128752290 FNBFDWXOGKMHQU-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1ccc(Cl)cc1C 131347769 LCKROBKWHXRMSL-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE CCCCCCCCCCN(CC(=O)OC)C1CCCC1 133670377 ZOJSEHMVMRYPDX-UHFFFAOYSA-N 297.483 4.545 30 10 CJEE C=C(CNc1ccccc1C(C)C)c1ccccc1 134355951 PMYHPBDVTCYADF-UHFFFAOYSA-N 251.373 4.935 30 10 CJEE C=CCCCOc1ccc(Br)cc1C(C)C 136463324 NCWLBNCJEHYHGX-UHFFFAOYSA-N 283.209 4.918 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@H](C)OC 143460403 KMBOTSPFQKRGMN-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE C=C(C)CC[C@@H](NC)c1cccc(Cl)c1Cl 156923934 WWWBTDWUYJKURD-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE C[C@H](CCCC(F)(F)F)Nc1cc(C#N)ccc1Cl 163464637 QYBQCGLADAOORY-SECBINFHSA-N 290.716 4.745 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(C)c(C)c1)NCCC 164572327 WWMCKQYPTYLERA-SFHVURJKSA-N 259.437 4.570 30 10 CJEE CC1CCC(C#N)(Cc2ccc(Cl)cc2F)CC1 164658825 AUJBTSVIDUVYRK-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1cccc(F)c1Cl 166371134 NATNELFHZRKMSP-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#C[C@@H](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 216538303 LMLVQFLYLZPBMI-UZZMVUAXSA-N 271.429 4.647 30 10 CJEE CCC1(CNc2ccc(Cl)cc2C#N)CCCC1 232949167 PVIIQBIVIGHTRY-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@]1(C)CCCS1 233124569 ZKSZPNBJUGJUHC-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)ccc2Cl)CCCCCC1 236536618 RPRXOFABJAXBEI-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE N#Cc1ccc2[nH]c([C@@H]3CC[C@H]4CCCC[C@H]4C3)nc2c1 250227073 XPDPPWPDGNIKPJ-QLFBSQMISA-N 279.387 4.508 30 10 CJEE N#C[C@]1([C@@H]2C=CC=C[C@H]2C(F)(F)F)CC2=CCC=C[C@@H]2C1 250653859 NBQMXFQLDWKAEQ-DTZQCDIJSA-N 291.316 4.713 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 252178978 SOIHEBSGGZXFGQ-YABSGUDNSA-N 296.336 4.814 30 10 CJEE N#Cc1cccc2nc([C@@H]3CC[C@@H]4CCCC[C@H]4C3)[nH]c12 252849760 IMONWRNOSWXFST-MELADBBJSA-N 279.387 4.508 30 10 CJEE CCSCC[C@H](C)Nc1ccc(C#N)c2ccccc12 300542277 CRRJZEVZAJRJGQ-ZDUSSCGKSA-N 284.428 4.655 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)CSC 302303139 AJPGTEVRCCYKJN-CABCVRRESA-N 259.503 4.714 30 10 CJEE CC(C)(C)CCC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 302305842 NTUNGGCXZANXHM-GFCCVEGCSA-N 298.213 4.996 30 10 CJEE N#CCc1sccc1-c1ccc(Cl)c(Cl)c1 309501381 HUFGPTJNXUKJGL-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE O=C[C@]1(Cc2ccc(Cl)cc2Cl)C[C@H]2CC[C@H]1C2 316465878 QBUBGVVZGOUABV-ITDIGPHOSA-N 283.198 4.541 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2Cc3ccccc32)C1 316918527 WOPIXRFUQFNQCQ-QGPMSJSTSA-N 256.389 4.502 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCC2(CCCCC2)O1 316947172 HOWIPURXPSBLJI-IKGGRYGDSA-N 278.436 4.654 30 10 CJEE CCc1ccc(CC2(C=O)CCCCCCC2)s1 317166034 QGXYNNZEDOCZKY-UHFFFAOYSA-N 264.434 4.783 30 10 CJEE CCCC1CCC(C=O)(CCC2(OC)CCC2)CC1 317244363 OGACSJUUTXATHG-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CSc2ccccc21 386723140 AQUHZEUCDVJXJO-LSDHHAIUSA-N 289.488 4.846 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@H]1CCC 397059840 PJCGCVQLCNWIIM-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE C=CCCC[C@@H](C)NCc1c(CC)oc2ccccc12 398152808 FAFFBFVJWOCLDU-CQSZACIVSA-N 271.404 4.830 30 10 CJEE C=CCCC[C@H](C)NCc1cccc(C(F)(F)F)c1 398154514 FXSHSCIHYOTTNB-LBPRGKRZSA-N 271.326 4.540 30 10 CJEE 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4.840 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]1C(F)F 2312117633 DRAXIIKYKSTWRD-HZSPNIEDSA-N 260.368 4.555 30 10 CJEE C=CC[C@H](C)Sc1cc(C(F)(F)F)ccc1C=O 2313633012 OHVGKMOHRKJYNL-VIFPVBQESA-N 274.307 4.575 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C)C(C)(C)C)NCC 2316745843 BGTZMFHVHCSEAN-GDBMZVCRSA-N 251.458 4.805 30 10 CJEE C=C1CC(C[C@H](N)CCc2cc(Cl)cc(Cl)c2)C1 2318604414 ZEURRYCJMAYURK-OAHLLOKOSA-N 284.230 4.610 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C)cc1SC 2319613166 SSYINGAHJQHDTE-OAHLLOKOSA-N 263.450 4.724 30 10 CJEE CC(C)c1cccc(COCC[C@H](C)CCS)c1 2320654778 CBGLUBUMLBPXMA-AWEZNQCLSA-N 266.450 4.673 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(C2CC2)ccc1Cl 2321130039 GCRPKWRVNYMWPL-HNNXBMFYSA-N 263.812 4.820 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CC[C@@H]2CC[C@H]1C2 2327117144 ZUBLGNDDWHLQOX-AYDFFVQHSA-N 270.482 4.564 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CCCCC1(F)F 2327165899 NSAVUSXAZZEWND-AAEUAGOBSA-N 280.424 4.563 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@]23CCCC[C@@H]2C3)CC1 2332325690 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CC#CCCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCCC 2341481463 GOCJLSBRCMVQGI-RCCFBDPRSA-N 263.469 4.765 30 10 CJEE O=C[C@]1(CC[C@@H]2CC[C@H]2C2CC2)CCCC12CCC2 2342383170 RLCRPUWOMRIYOM-XYJFISCASA-N 260.421 4.742 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc2cc(F)ccc2o1 2344385402 PGNJXJSLMKHQTF-CVEARBPZSA-N 261.340 4.564 30 10 CJEE C=CCC(C)(C)[C@@H](NN)c1ccc(-c2cccs2)s1 2344397495 SHFXLRPQLWMTOF-AWEZNQCLSA-N 292.473 4.583 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NC 2352803214 ZXMLRRKPALNQBX-CRWXNKLISA-N 277.374 4.545 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NC[C@@H](C#N)C(C)C)c1Cl 2353016860 UOFVWPIMRPNANL-VXGBXAGGSA-N 299.245 4.748 30 10 CJEE CC(C)C[C@H](CS)COCc1cccc(C(C)C)c1 2353835685 UONGLYDNQQKPNV-INIZCTEOSA-N 280.477 4.919 30 10 CJEE CCCCCCC[C@](C)(NC1(C)CCCCC1)C(=O)O 2353869767 VENRNILWBBBHBH-KRWDZBQOSA-N 283.456 4.503 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1C[C@@H]2CC[C@H]1O2 2355048946 DFSBCIHPJGEEFJ-ZJPYXAASSA-N 281.484 4.802 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1 2359097577 GVGYMOSDWYDROJ-DFGXFYAUSA-N 275.436 4.692 30 10 CJEE CCc1ccc(-c2nn(-c3ccccc3)cc2CS)cc1 31885128 PKCGEBLSQTXBHF-UHFFFAOYSA-N 294.423 4.532 30 10 CJEE C#Cc1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 37185197 PLQYIECPZDMIAY-SFHVURJKSA-N 281.786 4.885 30 10 CJEE N#C[C@@H](C(=O)CCC1CCCCC1)c1cc(F)cc(F)c1 49350284 CFELQTLTRPHHTO-MRXNPFEDSA-N 291.341 4.502 30 10 CJEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1)C2 54061493 SJIPYFPPUDTMRD-UJINQUNPSA-N 289.806 4.767 30 10 CJEE Cc1ccc([C@H](C#N)CCCOc2ccc(F)cc2)cc1 57684775 GXAUXJISFSVANP-INIZCTEOSA-N 283.346 4.601 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 57736977 GMWDRYQCOULWRP-GFCCVEGCSA-N 294.156 4.982 30 10 CJEE CCCCCCCN[C@H](C)c1cc(C)ccc1OC 59427130 RCUGMHXTZDPZMB-OAHLLOKOSA-N 263.425 4.625 30 10 CJEE CCCC[C@](C#N)(CC)Nc1ccc(Cl)cc1 69381297 XHZHWDVFGHMXBH-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C(C)(C)C#N)cc2)C1 71108398 FVFWHJZDMPVNRP-YOEHRIQHSA-N 270.420 4.868 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@H](C)CC(C)(C)C1 94583973 ZTXHWLLHWKECKE-MELADBBJSA-N 258.471 4.564 30 10 CJEE ClN/C(=N/c1ccc(Cl)c(Cl)c1)c1ccccc1 95951264 IGQGSABXVOOSLV-UHFFFAOYSA-N 299.588 4.815 30 10 CJEE C=C(C)C[C@@H](Cc1ccc2ccccc2c1)NCCC 97283305 ABXVUIBHCNGRLV-IBGZPJMESA-N 267.416 4.717 30 10 CJEE C=C(CC)C[C@H](CSc1ccc(F)cc1)NCCC 97330807 DUTZHUVGMGMHQE-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE SCCCCCCCCCN1CCc2ccccc21 97799167 BEOOZKQAQRWXAZ-UHFFFAOYSA-N 277.477 4.710 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2ccc(C)cc2C)cc1 103030098 JPCHINUHGPMRQT-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE CCCCCCCCCCNCCCN1CCCC[C@@H]1C 105839982 IOGWEWVENWDVEK-IBGZPJMESA-N 296.543 4.981 30 10 CJEE C#CC[C@H](CC)c1c(C)cc(OCCC)c(C)c1C 107640009 BSWFBSHSZXHWHJ-INIZCTEOSA-N 258.405 4.918 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(C)c(OCCC)cc1C 107653893 YOWWYUVDXLLHDW-CJNGLKHVSA-N 258.405 4.855 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@@H](C)CC[C@@H]2C(C)C)cc1 110028531 SXCGPNCXCKKWDY-CGTJXYLNSA-N 270.420 4.762 30 10 CJEE N#Cc1ccc(Nc2ccccc2C(F)(F)F)c(Cl)c1 110251478 UUEGKNGMPFYRDC-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCC[C@](C)(Nc1ccccc1C)C(=O)OC 110318799 FZJNEFKGNVTLGC-SFHVURJKSA-N 291.435 4.699 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@H]1C(C)C 114060603 PIFFYTNPVRYYBF-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)ccc1OC 115064645 QTXFRFOUAXGULA-OAHLLOKOSA-N 268.372 4.618 30 10 CJEE CCCCCCCCCO[C@]1(CN)CCC[C@H](C)C1 115588707 GDVADXQGJWSBPR-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCCC[C@]1(CO)CCOC1 117326300 SIYIRARZBJFYJG-QGZVFWFLSA-N 270.457 4.696 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](C)c1ccncc1 117683853 SQEHTNPVLPGSHL-DOTOQJQBSA-N 262.441 4.524 30 10 CJEE CCCCCCC[C@@H](NC)C(CC)(CC)N(CC)CC 118170249 HBWBZRXMWITQMA-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@H](O)CCc1ccc2c(c1)CCO2 123340455 HDEVABFPERMLPK-SFHVURJKSA-N 290.447 4.666 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1[N+](=O)[O-] 125134075 GLNJREXSPMEWTH-UHFFFAOYSA-N 285.771 4.988 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(F)cc1Cl 126095703 ZBPGBPACKADKDR-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE CSc1cccc(N[C@H]2CCCCC[C@@H]2C)c1C#N 127076777 CLSFFCKLOZGSGI-JSGCOSHPSA-N 274.433 4.661 30 10 CJEE N#Cc1cc(F)c(Oc2ccc3ccccc3c2)c(F)c1 127468751 VLQVWWGTMJRRNP-UHFFFAOYSA-N 281.261 4.782 30 10 CJEE C=C(C)C[C@@H](O)c1ccc2cc(Br)ccc2c1 129699776 MPJDNSYKRGHMIR-OAHLLOKOSA-N 291.188 4.602 30 10 CJEE Cc1cc(Nc2ccccc2C(C)C)ccc1C#N 133320603 FNATUQUJVZPQAU-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1C#N 136669127 PIMLSHWAUAQRMM-OUCADQQQSA-N 274.433 4.517 30 10 CJEE CC(C)CCCCNc1ccc(C#N)c(C(F)(F)F)c1 147515718 UFVMQLLGQDEPKR-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE C=C(CNc1cccc(C(F)(F)F)c1)c1ccccc1 148001544 AOQVPFMRARZVFG-UHFFFAOYSA-N 277.289 4.831 30 10 CJEE C=CCN(c1ccc(F)cc1[C@H](C)NCCC)C(C)(C)C 162267686 JSNQOZHRDUXMHW-AWEZNQCLSA-N 292.442 4.677 30 10 CJEE N#Cc1cc(Nc2ccccc2Cl)ccc1C(F)(F)F 164394810 LPJZCZHGNFMCLG-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(C)c(Br)c(C)c1 164787063 PPUMERFODNWBSB-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2F)C1 165705469 MQILHYBWXAUNSV-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE C=C(C)[C@@H](N[C@@H](C)c1occc1C)c1ccc(F)c(F)c1 186453420 GDRIKEGGNCAGEY-BLLLJJGKSA-N 291.341 4.834 30 10 CJEE C=CCSc1c(Cl)c(Cl)nc(Cl)c1Cl 196588384 FLVPIRZFVHFIEE-UHFFFAOYSA-N 289.014 4.973 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(CC2CC2)C(C)C)C1 222801225 RDUQAZBZIQPSHP-KURKYZTESA-N 290.495 4.851 30 10 CJEE N#Cc1ccc(NCCCC2CCCC2)cc1Cl 225326227 LXXKBTBITLBHCW-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)CCN 226740807 FLPCFZUMLUGCKY-MRXNPFEDSA-N 269.473 4.851 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc3ccccc3[nH]2)C1 227840074 RWFZZEZDBSYQGQ-INWMFGNUSA-N 284.428 4.978 30 10 CJEE CCCCCCC[C@@H]1C[C@H](N)c2cc(C)ccc2O1 229106444 YJKVPMJZTLSANR-ZBFHGGJFSA-N 261.409 4.506 30 10 CJEE COc1cc(Nc2cc(Cl)ccc2C#N)ccc1Cl 232201962 REXGUEDLSMQQGT-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE Cc1cccc(C#N)c1N(CCC(C)C)CCC(C)C 232552541 LFOXBPJKNDTBDX-UHFFFAOYSA-N 272.436 4.765 30 10 CJEE CCCCCCCCCCC(=O)C(O)(CC)CC 232915100 HBJRQXVPAJOGFH-UHFFFAOYSA-N 256.430 4.637 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)c1ccccc1 232916746 NHXQYOMMHCKVDI-SFHVURJKSA-N 276.420 4.820 30 10 CJEE CCCCCCCC[C@H](NN)C1=CCCCCCC1 232963544 WRIVFTIXMADOEP-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(Cl)ccc1C 235785352 BYECXRZIPIOWRO-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE C=CCCCCC[C@@H](N)c1cc2c(s1)CCCC2 236316455 VQOGZXHVZYEPJD-CQSZACIVSA-N 263.450 4.763 30 10 CJEE CCCCCCCCCN1C[C@@](C)(C2CC2)NC[C@H]1CC 250803795 DTNYQWJRSPJKQE-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@H]1C1CC1 250838557 WMFWEYMPDLPAME-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CC(C)(C)CCCNc1ccc(C#N)cc1Br 305920889 LZKRGGCTOFKCCW-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCC[C@@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 307001552 CBJXUQGJRPXBFC-JNINTMOKSA-N 278.245 4.925 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2cc(C)sc2C)c1 308105046 LLIHSVGJSBHYNO-GFCCVEGCSA-N 270.401 4.718 30 10 CJEE CCC1CCC(C#N)(c2nccc3sccc23)CC1 311358118 PTWXOWAUJYCKIZ-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE Cc1cc(NC[C@@H](C#N)c2ccccc2)c(Cl)cc1F 312384515 MVUJUGCQGKPWPR-CYBMUJFWSA-N 288.753 4.507 30 10 CJEE CCCCCCCCC[C@H](CN)N(CCC)CC(C)C 312512371 AYSCFDYMONPGIF-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCSCCC1(C=O)CCC(C(C)(C)C)CC1 316543133 ADYYIBSPQYDNMT-UHFFFAOYSA-N 256.455 4.551 30 10 CJEE C=C(C)C[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 318170643 UGBDWRMWJUVVJA-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cscn1 381016397 AWWLHPIGXPAUQH-CQSZACIVSA-N 283.485 4.568 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1ccsn1 382480373 ICDSHCOBDIRPEG-AWEZNQCLSA-N 283.485 4.568 30 10 CJEE CCCCCCC[C@H](CCCCCC(C)C)NN 383394920 QAGIIWMCDDYHRO-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@@H](C3CCCCC3)CS2)C1 386128083 NPQYADRORURZTO-LSDHHAIUSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1CCC[C@@H](C)C1 386972999 LVEXTPBZUFVUCW-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE Clc1cccc(C#Cc2cccc(Br)c2)c1 394810016 ZDWDRGGWBTWMGI-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE CCc1cc(NC[C@@H](C#N)C2CCCCC2)ccc1C 397237361 YTCBJZDMQDBQCO-QGZVFWFLSA-N 270.420 4.689 30 10 CJEE CCCCCCCC(=O)[C@@](C)(CC)NC(=O)OC(C)(C)C 405831298 MUNOIDPHQFGHEQ-QGZVFWFLSA-N 299.455 4.609 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)Cc1c(CC)oc2ccccc12 464542746 JGDNLVICBBGENW-CQSZACIVSA-N 299.414 4.556 30 10 CJEE C=C(C)C[C@@H](N)c1cc(C(F)(F)F)ccc1C(F)(F)F 575245582 SGTJDSCJXRHJTA-LLVKDONJSA-N 297.242 4.690 30 10 CJEE CCCCCCCCC[S@](=O)C1CCCCC1 586376259 NKDRLVYDQKUWGB-KRWDZBQOSA-N 258.471 4.818 30 10 CJEE O=C(/C=C\c1cccc2cnccc12)c1csc(Cl)c1 588558743 CLQNMIKHDDLEBC-PLNGDYQASA-N 299.782 4.846 30 10 CJEE CO[C@H]1CCCC[C@@H]1C1(C=O)CC(C)(C)CC(C)(C)C1 688006501 OMMDPASEMHULLE-GJZGRUSLSA-N 280.452 4.613 30 10 CJEE Cc1ccc2sc(Nc3ccc(Cl)c(C#N)c3)nc2c1 690213589 AGEZGPXUDRHJES-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCCc1ccccc1 692242629 XGGAIDKLYFNVKS-OALUTQOASA-N 271.448 4.734 30 10 CJEE N#Cc1c(Cl)cccc1NCC1CCC2(CC1)CC2 695769015 YSBZNJYWHLZQMG-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@H](C)CC 698450579 AFHBLKFHOUVGPQ-PBHICJAKSA-N 296.455 4.885 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1ccccc1Cl 709570070 QQHSZOGYDKSYIH-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CC[C@@H](CC)C1 710633376 HSUSRBLRTUOKDS-HUUCEWRRSA-N 257.849 4.571 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2cscc2Cl)cc1C 711537085 NRWDXYKQXDFHPJ-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE CCCCCC/N=C1/NC2(CCCCCCC2)CS1 713287162 XGEPEIJNUYBOOY-UHFFFAOYSA-N 282.497 4.742 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(SC)cc1 715795226 CCUMXOGHSKFUBH-CJNGLKHVSA-N 263.450 4.661 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Br)c(C)c1 717915450 FZPIXQYHBMDYDY-UHFFFAOYSA-N 296.252 4.592 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](N)C1CCCCC1 718761030 YZFAPUFQUKFZFF-GOSISDBHSA-N 281.484 4.994 30 10 CJEE CCCCCCCCNc1nc(C(C)C)c(C(=O)O)s1 721288969 ZFONXBZQFFMZCE-UHFFFAOYSA-N 298.452 4.737 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C)cc2F)CC1 724605970 PIXMYPIRCBFQSL-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE CC(=NNc1cccc(Cl)c1C)C1CCCC1 733076038 CJQKRPBABRQTQJ-UHFFFAOYSA-N 250.773 4.626 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@H]2CCCC)CCCCC1 1125775751 XOSYHQDDWMFIDF-SJORKVTESA-N 291.479 4.988 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1ccccc1 1127302812 URVZTDTUTRUSSI-IRXDYDNUSA-N 285.431 4.636 30 10 CJEE C#C[C@@H]1CCCN(C(=O)/C=C\CCCCCCCCC)C1 1163597976 HTKKERMETUFBOJ-WTQUMQLASA-N 289.463 4.555 30 10 CJEE CCCCCCCCCCN1CC[C@@H](C)[C@@H](F)C1 1168466162 LKHBOMBLSGSTAZ-CVEARBPZSA-N 257.437 4.807 30 10 CJEE C=CCCCCCCCCCOC1CCC(O)CC1 1217900876 GYLFEMBTNFAUBO-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1[C@H]2CC[C@H]1c1ccccc12 1254020346 DIWPSVSROVRNAD-IRXDYDNUSA-N 298.430 4.580 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(Cl)cn1 1258039617 URDNWYCVLGVIER-ZDUSSCGKSA-N 268.832 4.574 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncnc2scc(C)c12 1307163711 HAQXNXCXVRMCTD-STQMWFEESA-N 287.432 4.547 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(C)cc2)CCCCC1 1353391257 NBZSVWDEESOZJI-INIZCTEOSA-N 285.431 4.699 30 10 CJEE C=CC1(CC(=O)NCC2CCC(CC)CC2)CCCCC1 1358267661 CSDBVAADMKIISW-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CC[C@H](C(=O)NCC1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1461457219 ZXJUPVHMASTADQ-BXWFABGCSA-N 299.458 4.535 30 10 CJEE C=CCN(Cc1ccc2c(c1)C[C@H](C)O2)CC1CCCCC1 1461985899 AXMVNQWBLXGQHC-INIZCTEOSA-N 299.458 4.578 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@@H](C(C)C)CC1 1470101568 MGCHYFIMBZQRMU-QGZVFWFLSA-N 294.483 4.591 30 10 CJEE C=CC[C@H]1CC[C@H](NCCC2CCC(F)(F)CC2)C1 1474295225 ZNMCGALCMANPMO-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C=CCC1(NCCc2ccc(C(C)C)cc2)CCCC1 1474629492 YDFSWKDTOPFCAR-UHFFFAOYSA-N 271.448 4.831 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2CCC=CCC2)c1 1477188981 RWWSLZSPRLABNA-UHFFFAOYSA-N 284.403 4.588 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)CC(C)(C)C)CCCCC1 1532897194 QPGXABQFSYJBMU-HNNXBMFYSA-N 279.468 4.844 30 10 CJEE 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4.746 30 10 CJEE CC1(C)CC(CSCC2(CS)CCCC2)C1 2243626881 LCDVEHVESFWZKJ-UHFFFAOYSA-N 258.496 4.646 30 10 CJEE C=CCCSc1cc(Cl)sc1CNC(C)C 2244972314 RUIHZIONCZQXKZ-UHFFFAOYSA-N 275.870 4.568 30 10 CJEE CCCC[C@@H](CC)CSC[C@@H](CS)C1CC1 2246111726 XHKRVBISKQYPJS-TZMCWYRMSA-N 260.512 4.892 30 10 CJEE CCCC[C@@H](CC)Oc1cc(Br)ccc1C#N 2249949447 QVECHVRROBJUCJ-CYBMUJFWSA-N 296.208 4.668 30 10 CJEE C=CCCCCCCCSCCCCCCO 2250028514 LFEYXSCIPFJVOS-UHFFFAOYSA-N 258.471 4.799 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(C)cc1Br 2250167540 UIOUNKCPEDBDKZ-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@H]1CCC[C@@H](C)C1)NCC 2253934751 KBGBORBFXUVWJJ-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(Cl)c(OC)cc1Cl 2255446905 LCOJBVLYWJWIFN-VIFPVBQESA-N 287.186 4.787 30 10 CJEE CCCCCCC[S@](=N)(=O)CC1CC2(CCC2)C1 2256511126 SVRHQSRDVAISSX-SFHVURJKSA-N 271.470 4.584 30 10 CJEE CCC[C@@H](CS)CSC[C@@H](OC)C1CCCCC1 2256661272 OPMSESKTOIECRQ-DZGCQCFKSA-N 290.538 4.661 30 10 CJEE C=CCCCSc1ccccc1[C@@H](C)NCCC 2259052340 XBXNPMABMYUDJE-CQSZACIVSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1 2259237977 FRYIQFVOBXKIGU-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=C(F)C[C@@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2261435464 MGYWHAAJYBDHDD-ZIAGYGMSSA-N 255.421 4.690 30 10 CJEE CC(C)(C)[C@H]1CCCN(CCCCCCCS)C1 2263206449 QULXVOXEAOUXNB-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CC(F)(F)C12CCC2 2266285838 FTGKISNJTLFHKM-MCIONIFRSA-N 270.363 4.597 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC[C@H]2C(F)F)CC1 2270045486 ZWQXMOWJROGYBO-IOSBVQAASA-N 272.379 4.843 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](C)C(C)(C)N 2271231217 LVMJIOFFMWPUFS-HZPDHXFCSA-N 271.489 4.642 30 10 CJEE C=CCCCCCCCSc1nccc(C)c1C#N 2271510869 ADTFPTSOFLNTIG-UHFFFAOYSA-N 274.433 4.880 30 10 CJEE C=CCCCCCCCSC[C@@](N)(C#N)C(C)(C)C 2271515891 PIHQMNYUJONXRC-INIZCTEOSA-N 282.497 4.513 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC(F)(F)[C@H]1NC 2271596892 OHAKZPXKHYJDLT-KGLIPLIRSA-N 291.451 4.632 30 10 CJEE C#CC1(NCc2cc(C)c(Cl)s2)CC2(CCCC2)C1 2272568460 GTCHUPPBNXUZPD-UHFFFAOYSA-N 293.863 4.526 30 10 CJEE C=C[C@H](C)CCN(C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2273220311 XHHDGESRKMNJIS-MHORFTMASA-N 263.469 4.737 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CCC1CCCC1 2274119381 CMSLTZFGKGEGLY-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CCC1(C)CC1 2274141050 XYQULTMHELIENJ-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(O)CC#CC1CCCC1 2274165164 RXUBGAARUJDSAB-ZWKOTPCHSA-N 262.437 4.538 30 10 CJEE CCCCCCCO[C@H]1[C@H](O)C(C)(C)CCC1(C)C 2274480833 UGDQQEYPSITMPN-GJZGRUSLSA-N 270.457 4.549 30 10 CJEE FC1(F)CCC2(CCN2CCCCCCCS)CC1 2277510580 ZJHWWQYXDUCSML-UHFFFAOYSA-N 291.451 4.521 30 10 CJEE CCCCCCCCC[C@@](C)(C#N)NCC(F)(F)F 2278181478 VXGNTYDKHDDCQY-ZDUSSCGKSA-N 278.362 4.561 30 10 CJEE CCCC[C@H](CC)CSCc1cscc1C#CCN 2278381157 VHCFZUNEJWHTJX-AWEZNQCLSA-N 295.517 4.508 30 10 CJEE SC[C@H](COCC[C@H]1CCCC12CC2)c1ccccc1 2281389940 XRKWBSLZDUKJFU-DLBZAZTESA-N 290.472 4.687 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1ccc(CCC)cc1 2283529323 IBFZBJXOXZTOQK-IBGZPJMESA-N 273.464 4.620 30 10 CJEE C=C(CNC(C)(C)C)COCC[C@H](C)CCC=C(C)C 2285070571 RIJKNJWGPFUWCU-MRXNPFEDSA-N 281.484 4.720 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H](C)O[C@H](C)C1 2287467753 XOMSOKFKYHRILF-MHORFTMASA-N 281.484 4.695 30 10 CJEE CC(C)CCC[C@@H](C)CCN(C)c1ccc(C#N)cc1 2287882782 CLKYRAMCZWHQGQ-MRXNPFEDSA-N 272.436 4.847 30 10 CJEE Cc1ccccc1N[C@H](C#N)C1CC(CC(C)(C)C)C1 2289967147 KZYJMRYGFVDYRE-VMBOVVBDSA-N 270.420 4.762 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C#N)CCOC(C)(C)C2)C1 2290113969 MBJXINNYKZULQI-JMLCCBQJSA-N 277.452 4.938 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCCC[C@H]1CC 2290916782 CFCGNJSTVPEMOS-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@](CC)(C[C@@H](C)CC)OCC(=O)O 2291731603 XNLVSXDYIUCFTF-RDJZCZTQSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@H](CC1CC(CC)C1)OCC(=O)O 2292457579 PWRKJQPIEQAQLY-UYSNPLJNSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@](C)(CCC=C(C)C)OCCCN 2292881924 JMMNSRNONBKLGY-GOSISDBHSA-N 281.484 4.993 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCCN)C1CCC(C)CC1 2293364925 NZQVWEUDRQUJPD-JFUPDXTOSA-N 281.484 4.539 30 10 CJEE C=C([C@]1(OCCN)CCC[C@H](CCC)CC1)[Si](C)(C)C 2293913333 QOVGLOKSBKDBBK-IRXDYDNUSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]2C[C@@H]2C1 2293928514 WVVRGCQXOMIPDT-MHORFTMASA-N 281.484 4.517 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@@H]1CCC[C@H](C)C1 2294015459 MUTNMDQTNRFHCR-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)[C@H](C)CC(C)C 2294027183 PQNSSRUFTHVNBV-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1C[C@]12CCOC2 2295588968 IMMQNLIQKXLISS-BZSNNMDCSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(O)CCC[C@H]1C 2295679369 OOIHETRWSZVLHQ-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE C=C=CCC[C@@H](NC)[C@](C)(O)CCCCCCCCC 2295684266 KAOKFQDOOHXPKL-QZTJIDSGSA-N 281.484 4.587 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CC12CC(OC)C2 2295691017 HRRWOJCHLQVADE-RZZCCWGQSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCC[C@H]1CO 2295691776 PGMMLIVVALFWEU-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc3scnc3c2)CC1 2296077808 USGYUGCZHVGXKU-HNNXBMFYSA-N 286.444 4.693 30 10 CJEE C=C(C)CCCCc1cc(Br)cc(COC)c1 2300192005 IQLLTWRKARLAPY-UHFFFAOYSA-N 297.236 4.884 30 10 CJEE Cc1c(Cl)ccc(NCCC(C)(C)C#N)c1Cl 2301853710 BWAVQYDDRHWPBJ-UHFFFAOYSA-N 271.191 4.654 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2302834959 AQKSOEHVWCUOAD-ZANVPECISA-N 290.621 4.874 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1sc(C)cc1C 2304040009 CJVYAGVMXPIASS-CQSZACIVSA-N 251.439 4.618 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1sccc1CC 2304047779 DWYBFRCPEGJMMK-CABCVRRESA-N 251.439 4.563 30 10 CJEE CCCC[C@H](CC)COC[C@@H](CS)CC(C)C 2308054659 ZQMSOJYZYVPAFQ-GJZGRUSLSA-N 260.487 4.812 30 10 CJEE CC(C)=CCC[C@H](C)OC[C@H](CS)CC(C)C 2308058472 WCMNZOOKZGJXET-LSDHHAIUSA-N 258.471 4.730 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@H](SC)C1 2314260478 GTVSIBAIHALJTK-WKILWMFISA-N 269.498 4.586 30 10 CJEE C=C[C@@H](C)C[C@@H](CC=C(C)CCCC(C)C)NC 2316579849 SCMWRRRKPFUUGV-NVXWUHKLSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)NCCc1ccc(Cl)c(Cl)c1 2316687291 AZZWTPVUCMYKOZ-UHFFFAOYSA-N 284.230 4.646 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(F)c(Cl)c1 2321128241 QRMMRYWCNRBFKQ-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE CCC[C@H]1CCCCN1C[C@@](C)(CS)C(C)(C)C 2327097000 QAYMPEGGRYHSMY-HOCLYGCPSA-N 271.514 4.623 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1C[C@@H](F)C1 2327225627 FELKVHXFPYHOFF-OWCLPIDISA-N 255.421 4.629 30 10 CJEE CCCC#CC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327873116 OKTLPTUFXUOOEU-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2333364763 RHGYCVLYKPFBJQ-FJIDUMEYSA-N 261.453 4.633 30 10 CJEE SCC1(CO[C@@H]2C[C@H]3CC[C@H](C3)C2)CCCCCC1 2336157671 ZEYSUUSRACJRGK-ZSHCYNCHSA-N 282.493 4.852 30 10 CJEE Cc1ccc(C(C)C)cc1NCCCC(C)(C)C#N 2337630469 DGELNAQAVPWDJA-UHFFFAOYSA-N 258.409 4.860 30 10 CJEE C=CCC(CC=C)[C@@H]1CC(C)(C)CC[C@@H]1CNCC 2338725525 RQNONNVESUPGBE-SJORKVTESA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2338743460 FOGLTVBPOJUSLJ-RCCFBDPRSA-N 262.437 4.722 30 10 CJEE CN[C@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1C 2339142571 ZWKQNVQQWPYDAQ-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339346825 YDZBKCHFDBKACC-KZNAEPCWSA-N 261.453 4.847 30 10 CJEE CCCCC#CC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2341167761 ORXFFYPJRZMWNE-INIZCTEOSA-N 299.241 4.871 30 10 CJEE C=C1C[C@H]2CC(NCCCC[C@@H]3C[C@@H]3C)C[C@@H](C1)C2 2341524424 ZGEOVMHGUTVFHA-ATICWTEVSA-N 261.453 4.537 30 10 CJEE C=C([C@@H](NCC)c1cccc(C(C)C)c1)C(F)(F)F 2343601732 SHYCTLYJMHHKFB-CQSZACIVSA-N 271.326 4.579 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CCCCC1(F)F)NCCC 2344339924 NCXFBOIOQHAQEQ-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(F)c(F)c1 2344341758 DYMFLGAVOHBOFG-HOTGVXAUSA-N 267.363 4.608 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCC 2344346096 PXRBATIISUJTHM-KFGODFMUSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC2(C1)CC21CC1)NCCC 2344354594 AQPMHVVFVQRBAS-UERKLNTKSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(F)c(F)c1C 2344356170 LDTOZNNCFCGGHA-ZBEGNZNMSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC2(CC2)C1)NCCC 2344368334 CNKQLBSLPFJJBV-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C#Cc1ncccc1N[C@H](C)CCCCCCCC 2346036330 HCIIADZLMXQBCY-OAHLLOKOSA-N 258.409 4.614 30 10 CJEE CCC[C@@H]1CCCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352079052 JEOGLNBMWFHKQI-WBVHZDCISA-N 285.541 4.871 30 10 CJEE C=CC[C@@H](C)SC1(C(=O)O)CC(C)(C)CC(C)(C)C1 2352221028 BRBULCUWMRCZHV-GFCCVEGCSA-N 284.465 4.744 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)[C@@H]1CCCC1(C)C 2352311178 CFYYNTIHDJYJKD-PBHICJAKSA-N 285.541 4.869 30 10 CJEE FC(F)(F)C1CCC(COCCCCCCS)CC1 2352991848 SRNCFJHVGUPKFD-UHFFFAOYSA-N 298.414 4.862 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2358461593 NKDIXHSZQKQENJ-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NN 2358665638 JPTIXRKVYAFGDO-XWTMOSNGSA-N 278.484 4.561 30 10 CJEE CCC[C@](C#N)(CSCC1CCC(C)CC1)NC(C)C 2360507996 DDUVLEBXOWCQJE-JCYILVPMSA-N 296.524 4.606 30 10 CJEE Cc1ccc2cc(/C=C\C(=O)c3ccco3)c(Cl)nc2c1 33729239 BSUQWOLZGLZHCK-SREVYHEPSA-N 297.741 4.686 30 10 CJEE O=C1/C(=C\c2cccs2)CCSc2ccccc21 33925020 GSGWYVOETYZITA-KHPPLWFESA-N 272.394 4.510 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cccc(F)c2C#N)c(C)c1 36138886 HSQLKZXINDHSRA-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CSc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)cc1 37937183 FQNZMPWVNCZQEK-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 49541001 IUYYSDDZCGDALV-BBRMVZONSA-N 284.428 4.812 30 10 CJEE COc1ccc(Cl)cc1C[C@@H](C#N)c1ccc(C)cc1 57762657 ZWFHOCCNBHVOAM-HNNXBMFYSA-N 285.774 4.507 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(N(C)C)cc1 59090278 FYBOWIIHYVXASF-INIZCTEOSA-N 276.468 4.591 30 10 CJEE C=CCOc1ccc(CN[C@H](c2ccccc2)C(C)C)cc1 61557827 UAIDASIBLUDZEC-FQEVSTJZSA-N 295.426 4.738 30 10 CJEE CCc1cccc(Nc2cccc(Cl)c2C#N)c1 70138309 XDYUZEJPEPQVSB-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(Br)c1 71126430 ZMQVWIYNUZSMRM-UHFFFAOYSA-N 279.177 4.522 30 10 CJEE CCCCOc1ccccc1-c1cc(C#N)c(CC)o1 77076868 ZXXZKBUNDXGAGO-UHFFFAOYSA-N 269.344 4.560 30 10 CJEE CCOc1ccccc1-c1cc(CC#N)c(C(C)(C)C)o1 77085056 OBYBZQMQKYBZGD-UHFFFAOYSA-N 283.371 4.709 30 10 CJEE COc1cc(C2(C#N)CC3(CCCCCC3)C2)ccc1C 86543302 PDWLBMORVSFXOU-UHFFFAOYSA-N 283.415 4.899 30 10 CJEE C=CCOc1ccccc1CNc1c(C)cccc1Cl 90524071 HWPNFNNALKGHAZ-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE CC[C@@H](CS)CSc1cccc(C(F)(F)F)c1 94589324 ZNASFQHMYHRMEO-VIFPVBQESA-N 280.380 4.754 30 10 CJEE CCC(CC)[C@@H](C#N)Sc1ccc(Br)cc1 94674672 AQOCQPHHNGHPLK-CYBMUJFWSA-N 298.249 4.870 30 10 CJEE CN(CCCCCCCCCS)c1ccccc1C#N 97799528 DRGVJNXKDYSDSN-UHFFFAOYSA-N 290.476 4.655 30 10 CJEE CCCCCCCCCCCCNCCOCC 105927777 UFXMINHNLUCVGE-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(C)c(Br)c1 107497142 OVZVMONDAQVIFG-JQWIXIFHSA-N 265.194 4.520 30 10 CJEE CCCOc1ccc(C[C@H](C)CS)cc1C(C)(C)C 107592012 DGFLPPXMIQOKQT-ZDUSSCGKSA-N 280.477 4.881 30 10 CJEE CCCC#CCCc1c(C)c(Cl)cc(C)c1OC 107648900 ZQOVILBWQXVMDR-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1cc(F)cc(F)c1 109083358 XWIDQKIVNOTZLK-OAHLLOKOSA-N 279.330 4.502 30 10 CJEE CCCCCCCCCN1CCCc2cccc(N)c21 109966744 IJDTVIGKULOHBO-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(Cl)cc1 110252880 IKNOAQGPLULQNS-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCCCCCCCCn1ncc(CN)c1C 112930631 PZYXXQSPRVOOFB-UHFFFAOYSA-N 279.472 4.571 30 10 CJEE CCCCCCCCn1ccc2ccc(C(=O)O)cc21 113435355 ROIZJZNQIBUZAT-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1CC(C)C 114064465 HXIYUBYANFZWCH-OALUTQOASA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C#N)C1CCCCC1 115857482 PGEGJLHPGOGQQZ-QGZVFWFLSA-N 292.467 4.716 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1cccc(C)c1 118843413 BWTCBNURPKHNRB-INIZCTEOSA-N 262.393 4.914 30 10 CJEE CCCCCCCC[C@@H](N)Cc1c(F)cccc1F 122800788 BZUAIHNCFIBCPI-CYBMUJFWSA-N 269.379 4.585 30 10 CJEE CCCCCCC[C@@H](O)c1cc2cc(F)ccc2o1 124170877 NHBOJXHQJKCAKE-CQSZACIVSA-N 264.340 4.966 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)c(F)cc1F 126200706 JHDLNGIGTKNBHK-MRXNPFEDSA-N 269.379 4.894 30 10 CJEE CC[C@@H](Nc1cc(Cl)ccc1C#N)c1ccccc1F 127222852 KAFXMMHKNQJQNV-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1c(F)cccc1F 127718364 INPKRXUIZLZLFH-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC(=O)c1ccc(C#N)cc1Sc1cc(C)ccc1C 131386519 RTBRONWWHQPXRS-UHFFFAOYSA-N 281.380 4.529 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(CC)nn1CC 135352677 YGKBUHOWXTVZFS-KRWDZBQOSA-N 280.456 4.640 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@]1(C)CCCS1 140390428 ODPVHDFQGUBDEG-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CC1(C)CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 149814319 STYRPVKVAWMMTI-NSHDSACASA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 150010853 MOBKPMGGLVKNJY-CALCHBBNSA-N 297.483 4.543 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(CC)s1)NC 161226159 GZKZPLWVPJIVBC-AWEZNQCLSA-N 267.482 4.802 30 10 CJEE Cc1cc(C#N)ccc1CNc1c(Cl)cccc1Cl 165328250 HIYVPHBPQZGTCS-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1Cl 167278645 BUVNEWOHSQZDJJ-ZDUSSCGKSA-N 298.817 4.939 30 10 CJEE CCC[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccccc1 179379114 GYOMNKWETAMNRZ-CJNGLKHVSA-N 284.428 4.812 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(F)=C(C)C 189872740 VLKDGFFEFJIXAD-UHFFFAOYSA-N 275.367 4.740 30 10 CJEE Cc1ccc(C)c(S[C@@H]2C[C@@H](C)CC[C@H]2C#N)c1 227051538 XAGHAEHRXLJIIF-DUVNUKRYSA-N 259.418 4.724 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(Cl)ccc1F 229070853 JYSSEGKANIYAMX-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=C(CS)COc1c(C(C)C)cccc1C(C)C 231634365 ZDVBWRLDQAIZCV-UHFFFAOYSA-N 264.434 4.798 30 10 CJEE C[C@@H]1CC[C@H](CC2(C#N)CCC(C(C)(C)C)CC2)O1 232059452 YZCVBLVTEYWRLT-HCEZTOJASA-N 263.425 4.690 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1ccccc1 232982154 GUJTUCRQOGAXAC-QGZVFWFLSA-N 262.441 4.567 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(OCC)CCCCC1 233600710 CJCXHMPFDRXZGI-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]([C@H](C)NCC)C1 250841326 XWTBKTCITSJQGO-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)cc1C(C)=NO 252461650 NNIUUQSTYFSJKF-ZBFHGGJFSA-N 275.392 4.541 30 10 CJEE CCN(CC)c1ccc(C=Nc2cc(C)cc(C)c2)cc1 252462046 PJFMTCYVXKWWRS-UHFFFAOYSA-N 280.415 4.900 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](OCc2ccc(C#N)cc2Cl)C1 252918171 CIGRJXKTVIDONE-JYAVWHMHSA-N 277.795 4.553 30 10 CJEE Cc1cc(C[C@@H](C)C#N)cc(C)c1OCc1ccccc1 260272849 CACWDKKMUKXWIE-CQSZACIVSA-N 279.383 4.585 30 10 CJEE C[C@@]12CCC[C@@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1CC2 299872275 MSEZLHAVPJYYIQ-PJVZLEMVSA-N 272.432 4.908 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CN)CCC[C@H](C)C1 300523873 UJIOMIQKOREJKN-OKZBNKHCSA-N 283.500 4.643 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCc2ccc(Cl)cc2)C1 308528897 RHPCICQUODJQAZ-CZUORRHYSA-N 261.796 4.993 30 10 CJEE C=CCCCCCCNC[C@@H](C)C1CCCCC1 310771177 CSMLGIOAJUQYFR-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE C=CCC(C)(C)CNC1CC(C)(C)CC(C)(C)C1 311089952 QPYRPZRJWKUZRD-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE CNC[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CC#CC(C)(C)C 312208219 MPNDXWJWRXKJJJ-YESZJQIVSA-N 277.496 4.724 30 10 CJEE CCCCCCCCCCC[C@H](CCCCOC)NN 312851707 XWKZGYSLPCCEJE-QGZVFWFLSA-N 286.504 4.556 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCCC2(F)F)CC1 317129133 ICAPTYXKWQBARZ-SHARSMKWSA-N 272.379 4.988 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)CCCS1 319275108 XSXWNCAIBCZRHY-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE CCC1(CC)CN/C(=N/CC2CCC(C)(C)CC2)SC1 380496937 XEIQFQOFKJLOKK-UHFFFAOYSA-N 296.524 4.702 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@H]1CC2CCC1CC2 382286969 PGWBDXKXBDRFIC-JCYILVPMSA-N 295.536 4.767 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(-c2ccccc2)cc1 383452843 BDSZEORAGQPUGM-INIZCTEOSA-N 265.400 4.970 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2cccc(Cl)c2Cl)O1 383773248 NQBQBHCJXOPBJK-CABZTGNLSA-N 270.159 4.517 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(F)ccc1Cl 384833619 HHIZMEUBUCYIQB-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cccc(C)c1Cl 387430925 IGPBIYIKGVUBHA-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](C#N)Nc2cccc(C)c2)C1 394511218 DVBHZPZRIRXTNJ-INMHGKMJSA-N 256.393 4.516 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@H]2C)C1 395058794 YTGIXRGLZMOYPS-XMTFNYHQSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCN[C@@H](CC)[C@H](C)O 395300618 KBGZTSPQHULGCX-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CC(C)(C)c1ccccc1NC[C@@H](C#N)C1CCCC1 397283098 FWLCFMLWVHEISF-OAHLLOKOSA-N 270.420 4.726 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cccc(Cl)c1Cl 397578608 DFITZICZEVWXLG-SECBINFHSA-N 271.191 4.591 30 10 CJEE CCCCCCCC[C@H](CC1(COC)CC1)NCCC 401246693 LEMGFVBXBRFEQL-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@H]1CCOC1 401324681 AVOMGAAHRBELCM-DLBZAZTESA-N 270.457 4.695 30 10 CJEE C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC(C)(C#N)CC1 541881017 VVHRTFUZNWTTNL-OAHLLOKOSA-N 284.447 4.671 30 10 CJEE CCCCCCCCCC(=O)C1CCC(OC)CC1 686373016 VULPIJCNYTXAOB-UHFFFAOYSA-N 268.441 4.901 30 10 CJEE C#CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC1CC1 686694746 DJEAABLHVDKQAA-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C 686700099 XTYYGEDIAOBCMW-KSZLIROESA-N 263.469 4.765 30 10 CJEE C=C(C)CC[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 688323977 YCFYFDWHRNYWAE-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CCC[C@@H](O)C2)C1 688336311 BRECGHWQLKOMPH-LSDHHAIUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@H]1C[C@@H]1OC 689956161 AYHPQAYZHQSUIW-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](NC)C(C)(C)C(F)(F)F 690276154 AUTRFVGWOAQBET-LLVKDONJSA-N 253.352 4.523 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CCCOC2)C1 690506596 VUGIAYWVDHOKBN-AWEZNQCLSA-N 263.425 4.549 30 10 CJEE C=CCC1(Nc2nc(Cl)nc3ccccc23)CCCC1 690723099 NVRCHSWALJSOTF-UHFFFAOYSA-N 287.794 4.584 30 10 CJEE C=C(CN[C@@H](C)CC1CCCCC1)c1ccccc1 694674233 KKEGMNYOTWHXCZ-INIZCTEOSA-N 257.421 4.648 30 10 CJEE CCCCCCCC[C@@H](NN)C1CCC2(CC1)CC2 695646365 MCLZGLXCKOWSNL-MRXNPFEDSA-N 266.473 4.539 30 10 CJEE CCCCCCCCC[C@H](O)CCc1cccc(N)c1 695653671 SUHCAKUPRRCKQD-SFHVURJKSA-N 277.452 4.703 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 695702778 CIZYMUFJDDJWKQ-SWLSCSKDSA-N 276.811 4.838 30 10 CJEE Cc1ccc(CS[C@@H]2CCC[C@@H](C)C2)cc1C#N 701870708 TVZYCFLWRHVLBQ-MLGOLLRUSA-N 259.418 4.679 30 10 CJEE CCCCCCCCCCC(=O)C1CC(OC)C1 703343210 WOGLMHFHPGUFDO-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCC23CCCCC3)C1 703653976 OEXFWNPDYOMZKJ-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(F)c(F)c1 703995600 JCQUFTLSYUUXTG-GFCCVEGCSA-N 267.363 4.608 30 10 CJEE C[C@@]12CCCC[C@H]1CN2CCCCCCCCCS 707196190 ONGZLPNNQKAJTH-DLBZAZTESA-N 283.525 4.911 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H]2CCCC(C)(C)C2)C1 708584589 RCTLCZFATKTBQU-NCOADZHNSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@]1(C#N)OCCc2ccccc21 710173566 ORKFWSUPEMWWPY-GOSISDBHSA-N 271.404 4.729 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H](CC)c1ccccc1 710642317 AFKUQBUWEREOMY-CVEARBPZSA-N 265.828 4.691 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 711149122 SVPQSLZRMPTKAP-UKRRQHHQSA-N 291.822 4.979 30 10 CJEE C=C(CN[C@H](C1CCCC1)C1CCC1)c1ccccc1 711840842 OXEQFUPSGYMHON-LJQANCHMSA-N 269.432 4.648 30 10 CJEE CCCCCCC[C@H](C)NCC(C)(C)c1ccncc1 714287126 WMOXOYDIVIJVRV-INIZCTEOSA-N 276.468 4.698 30 10 CJEE CCCCCCC[C@H](CC[C@H]1C[C@@H]1C1CC1)NC 714775087 CAYGRTYIESBBIE-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)Oc1ccc(Cl)cc1CNC(C)(C)C 714968892 DBXGAJUMBAXFNZ-GFCCVEGCSA-N 281.827 4.572 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1SC 715768706 KIJGJQDJBOCTAH-CJNGLKHVSA-N 263.450 4.661 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccccc1C(F)(F)F 715817003 ZJPPLGASWTWNII-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1cccc2ccccc12)NCC 715830976 PLCBUPVHWKHTOT-DNVCBOLYSA-N 267.416 4.573 30 10 CJEE CC(C)C(C)(C)CSc1cccc(Cl)c1C#N 718791620 QZOLAVUAIAISMJ-UHFFFAOYSA-N 267.825 4.986 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC[C@H]2CCCC[C@@H]2C1 723610370 RFBRRAZATOGGQD-JFIYKMOQSA-N 268.404 4.660 30 10 CJEE C=C1CCC(C[C@@H](CCCc2cccs2)NC)CC1 724550228 UHJQBKLTZSNYCY-MRXNPFEDSA-N 277.477 4.795 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)CCC[C@H](C)C2)CC1 724554546 ZQLJQORGOVVOGT-FUHWJXTLSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@]2(C(=O)O)CCC[C@@H](CC)C2)CC1 724588130 GFVKBQYAILADGJ-RHSMWYFYSA-N 264.409 4.794 30 10 CJEE Fc1cc(Cl)ccc1C#Cc1ccc(C(F)(F)F)cc1 725424347 GLYXMIWAXUFIDT-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE O=C(/C=C\c1ccc(C(F)(F)F)[nH]1)c1cccc(Cl)c1 806565380 MFUSKCFZKYDUIL-XQRVVYSFSA-N 299.679 4.583 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H](c3ccccc3)C2)CCCCC1 1125434403 FXWCBBGXSFJUMA-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CCCCCCCNC(=O)/C=C/C1CCCCCC1 1128848891 QBMSYNCMHZJBBV-CCEZHUSRSA-N 277.452 4.766 30 10 CJEE C=CCCC(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 1157105684 UCJKWFJCFFHFLV-UHFFFAOYSA-N 290.366 4.740 30 10 CJEE C=CCCCN1CCC[C@@H]1c1ccc(C(C)C)cc1 1193002622 LGBFBVHYMKDEIF-GOSISDBHSA-N 257.421 4.913 30 10 CJEE C=CCCCN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1193848522 FVKUZIVNWOTJQH-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE C#C[C@@H](NCC1CCC(C(C)C)CC1)c1ccc(F)cc1 1205974128 MFGVVGAMCBEKQN-LADRWXRNSA-N 287.422 4.552 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2cc3ccccc3o2)CC1 1269517119 SMPKJQCVBUGCFU-ZDUSSCGKSA-N 284.355 4.783 30 10 CJEE C=CCCC[C@@H](C)NC/C(C)=C/c1ccccc1COC 1461387914 FOLIBLDXMAEOTG-HJUDDPQBSA-N 287.447 4.571 30 10 CJEE C=CCCC(C)(C)NC(=O)CCc1ccc(C(C)C)cc1 1461768378 HNXMYVFXPBUYBJ-UHFFFAOYSA-N 287.447 4.604 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(Cl)c(OC)c(OC)c2)C1 1462385797 DSLRWOXIHKPKRJ-NEPJUHHUSA-N 295.810 4.514 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)C2CCCCCC2)c1 1467475558 NHPULQPHELHOME-UHFFFAOYSA-N 286.419 4.906 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@@H](CC)C1 1470383678 YGYQEMUOFXYDEG-QGZVFWFLSA-N 294.483 4.735 30 10 CJEE C#CC[C@H]1CCCN(Cc2ccc(Cl)c3ccccc23)C1 1473581565 OEHVZSZJJKTBLQ-HNNXBMFYSA-N 297.829 4.729 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(OC(F)F)cc1 1473637390 GFLOSLSXFOAHDY-GOEBONIOSA-N 295.373 4.513 30 10 CJEE C=CCOc1ccc(CNCC2CCCCC2)cc1Cl 1473911011 OJXGCNOYTLUBKO-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=CCN(Cc1cccc(Cl)c1O)CC1CCCCC1 1474387357 YSGMTLXTDIYFOF-UHFFFAOYSA-N 293.838 4.614 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)[C@@H]1CC2CCC1CC2 1474607813 FYFBFKYEHJGIGU-QNVOQPSNSA-N 263.469 4.926 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@](C)(CC)CCC)c1 1520532310 BUCVKMAAQYFKRG-SFHVURJKSA-N 289.419 4.796 30 10 CJEE C=C(C)CCC(=O)N(CC)c1cccc(Cl)c1Cl 1523140108 WSTWYGDJIMDXOW-UHFFFAOYSA-N 286.202 4.703 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)CCC(C)(C)C)c1ccccc1 1531894967 NDAOWQITBOLJAS-HZPDHXFCSA-N 287.447 4.677 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)SCCCC)CCCC1 1531942153 JPMBCRRMLYSSQU-HNNXBMFYSA-N 297.508 4.551 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1csc(C2CCCCC2)c1 1540090481 CSXQEMVGABMZDB-OAHLLOKOSA-N 291.460 4.880 30 10 CJEE C#CCCCCCCOc1cc(Br)ccc1F 1559393974 KSDYYEKWWBZHQZ-UHFFFAOYSA-N 299.183 4.551 30 10 CJEE C=CCCCCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 1559542707 DFQGTLWWKOQXJF-FUHWJXTLSA-N 289.488 4.911 30 10 CJEE C=CCCCCCN1CC2(CCCC2)[C@H]1c1ccco1 1559987969 XWCSBFFHAGFLSU-QGZVFWFLSA-N 273.420 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C=C1CC(CNCCC)(Cc2cccc(C(F)F)c2)C1 2189380011 DSLSJTVNNFVTNK-UHFFFAOYSA-N 279.374 4.503 30 10 CJEE CCC1CCC([C@@]2(C=O)CCOC23CCCCC3)CC1 2190287914 ZSPTWHTVKKJWAP-JCYILVPMSA-N 278.436 4.511 30 10 CJEE CCCCCCCC[C@@H](CC1(C(C)(F)F)CCC1)NN 2191323977 YFGOFCUCXDVGIR-AWEZNQCLSA-N 290.442 4.785 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CC23CCC(CC2)O3)C1 2191810465 FOWPFJGGQIIELZ-UHFFFAOYSA-N 275.436 4.834 30 10 CJEE CC#CCCC[C@H](NCCC)C1(C(F)(F)F)CCCC1 2194065100 QBQHYGLWZUHHAO-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE CC#CCCCCC(=O)c1ccc(Cl)c2cccnc12 2196210840 NBVWGEZSBSLFOV-UHFFFAOYSA-N 285.774 4.655 30 10 CJEE CCCCCCCCN(C)C[C@]1(C=O)CCC[C@@H](C)C1 2196726407 MSDLYKWDUWVOLO-MSOLQXFVSA-N 281.484 4.674 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H]1CCC(C)(C)C1)C1CC1 2196855916 FILYCCKGBHEUNS-SQNIBIBYSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@@H](NCC)c1ccc(Cl)c(F)c1)C1CC1 2196856211 GDVLWWQLNPPQCI-CXAGYDPISA-N 293.813 4.569 30 10 CJEE C#CC[C@@H](CC[C@@H](CC1CCCC1)NCCC)C1CC1 2196859863 WJBUMAAPQCFYPT-HKUYNNGSSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@](C)(O)c1ccc(CCC)cc1 2197142001 LKOAWPQUEQLICC-IBGZPJMESA-N 266.384 4.560 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@H]21 2197148786 GBXNLNPZQQVJDN-MKXGPGLRSA-N 270.416 4.667 30 10 CJEE C=CCC1(Nc2ncccc2[C@@H](F)C(F)(F)F)CCC1 2199312252 DNUVDVBMMJMSGI-LLVKDONJSA-N 288.288 4.565 30 10 CJEE C=C([C@H](NCCC)[C@H]1C[C@@H]1C1CCCCC1)C(F)(F)F 2200049689 AQXOLGBHGAGVPK-ILXRZTDVSA-N 289.385 4.690 30 10 CJEE C#CCN(CC1CC(C)(C)CC(C)(C)C1)CC(C)(C)C 2203237811 PLDMGRWJDCBKOR-UHFFFAOYSA-N 277.496 4.820 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1C[C@@H]2CC[C@H](C1)S2 2203787284 KPJKAOXDORBSTK-HQSKLWIPSA-N 293.520 4.613 30 10 CJEE C[C@](C=O)(CC1C2(CCC2)C12CCC2)c1ccccc1 2204024942 HVCHAWLVMXSXQA-QGZVFWFLSA-N 268.400 4.504 30 10 CJEE C=C[C@H](C)C[C@H](CC1CC2(C1)CC1(CCC1)C2)NCC 2204068368 KOYCPHKMJSSAMS-DOTOQJQBSA-N 275.480 4.927 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@@H]1CCC[C@@H](N)C1 2205492078 FVXFKDCUZVWKGU-KSZLIROESA-N 283.500 4.786 30 10 CJEE C=CCCCCCC[C@H](CC1CC(OC)C1)NCCC 2206886068 PHRTYUXEFZOCSA-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H](OCC)C1CCCCC1 2206892682 SYOONFSAIFVTAR-ROUUACIJSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CC(C)(C)CC[C@H]1C 2206899511 LZYDWKKBRWYWLZ-CRAIPNDOSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC(=O)CCC1CCNCC1 2207402644 DDQCFJOKISFLIO-UHFFFAOYSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCCC(=O)C1(OC)CCSCC1 2207425573 SCOSDYOJCVPIKM-UHFFFAOYSA-N 298.492 4.775 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](C)N1 2207426108 XPULZELIGIWNHM-KURKYZTESA-N 281.484 4.575 30 10 CJEE C=CCCCCCCCC[C@H](N)c1cc(CC)ccn1 2207428441 ABZIYAFCPOADPX-KRWDZBQOSA-N 274.452 4.951 30 10 CJEE C=CCCCCCCCC[C@H](CN(CC)CC)NCC 2207435035 GASVRXGJSBKXNE-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](O)C12CCC(CC1)OC2 2207440402 VIPVOQDXONUMPS-LXPRWKDFSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1CCS[C@H](C)C1 2207441162 GSENQRIEXHAFLQ-ZACQAIPSSA-N 298.540 4.657 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CC1(CCC)CCC1 2207444321 IMZPMMQXMSWFCO-SJORKVTESA-N 283.500 4.786 30 10 CJEE N#Cc1sc(SCCCCCC2CC2)nc1Cl 2214551290 DNQTWKONVDVYBI-UHFFFAOYSA-N 286.853 4.731 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@H]1SC 2217304789 GIHHQRRLPGBEHK-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE CC[C@](C)(CCCC(C)C)OC[C@H](C#N)C(C)C 2218942891 NBJGOYRSTPBPPU-JKSUJKDBSA-N 253.430 4.794 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1c(Cl)cccc1Cl 2219205120 VVSUJJHVFRXUKP-RYUDHWBXSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccsc1OC 2220086461 QRUGMNAABUQRDZ-AWEZNQCLSA-N 267.438 4.673 30 10 CJEE CCC[C@](C)(C#N)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2222039821 JTHDDQLUMJTMOY-ZIAGYGMSSA-N 286.202 4.531 30 10 CJEE C=CCCCCCCC=C1CCC2(CC1)C[C@H]2CN 2227276730 UAAMRPLYYWYMEU-ZENAZSQFSA-N 261.453 4.978 30 10 CJEE C=CCCCCCCC[C@H](O)COC1(C)CCCC1 2227278976 FUKLXGNVGCHZAI-INIZCTEOSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCSc1nc(C)c(C(=O)O)s1 2227281566 GZKSZRHLJYKXIU-UHFFFAOYSA-N 299.461 4.768 30 10 CJEE C=CCCCCCCC[C@H](N)c1c(C)ccnc1C 2227285450 UPUUSEURACYHPP-INIZCTEOSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCCN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 2227292041 WVCYQEDQVIWUBA-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CC1CC(C)(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)C1 2227501781 OTRLTMSVYUFJFS-UQACVICXSA-N 296.197 4.606 30 10 CJEE C#CCCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227507983 LOLSIAGXMXSDBP-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1ccc(C)cc1 2227518590 XUQYDOOVIPBRQK-IBGZPJMESA-N 279.449 4.927 30 10 CJEE CCCCCCCCCCOC[C@@H](CC)NCCC 2231017864 RHCKFAZZTBWLRT-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCOC[C@@H](N)C1CC(C)C1 2231019207 YIFBCKUYGOKGLB-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(C(C)=O)ccc1C 2231031150 REWNGNBDDFFSCI-INIZCTEOSA-N 260.377 4.711 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CCC[C@@H]1N 2231078988 KQXNNUHAWTZICP-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCCO[C@H]1CC[C@H]1CNC 2231084239 GLCXCARJRCZCKL-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCC[C@H](C)CCC(=O)C#Cc1ccc(C)cc1 2231214274 JQKXJJXXAOFXDT-HNNXBMFYSA-N 256.389 4.522 30 10 CJEE C=CC[C@H](CNC1CCC1)CC(C)(C)C(F)(F)CC 2231556573 WVSWUTVTYZFTDB-ZDUSSCGKSA-N 273.411 4.782 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@@]12CC2(F)F 2231930746 XSOGIXRRDQCHRS-SOUVJXGZSA-N 273.411 4.760 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCC1CC(OC(C)(C)C)C1 2232964465 NSWKZCWPQAVSDW-IDMDMSBLSA-N 280.452 4.756 30 10 CJEE C[C@@H]1CCC[C@H](CC2(C=O)CCC(C(C)(C)C)CC2)O1 2235170935 HHMPHXGNPUQISJ-JBCIKUTRSA-N 280.452 4.756 30 10 CJEE C[C@@](C#N)(CCCCSCCCCC1CC1)NC1CC1 2235461506 GHBMHLQIWNOSNR-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@]1(O)CCOCC[C@@H]1CCC 2235520519 AIBLMBFCKJVBHT-ROUUACIJSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@](C)(O)CC=C 2235523509 GSIHIVFEVXOQHF-QZTJIDSGSA-N 281.484 4.598 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCOc2ccccc21 2235525353 ZGTXQLCKRGOVQR-GOSISDBHSA-N 273.420 4.540 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cccc(OC)c1C 2235536958 ZYLBBYCVQYDKRL-QGZVFWFLSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(F)c(C)c1 2235539003 MLPBRLCGSWBFKX-QGZVFWFLSA-N 278.415 4.555 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(F)cc1Cl 2235540164 UIVIUORLARZFDN-MRXNPFEDSA-N 298.833 4.900 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CC[C@H](P(C)(C)=O)C1 2235541576 JMJGRRDAMRQFEL-SJORKVTESA-N 299.439 4.989 30 10 CJEE CCCc1ccc([C@H](C)NCCC#CC(C)(C)C)cc1 2238720805 YPXUZOCNOLUMOD-INIZCTEOSA-N 271.448 4.729 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2239151942 JCRQWNOXEBFABF-KBPBESRZSA-N 285.422 4.782 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ncccc2C(C)C)C1 2239410632 KMQWWRJJBHTWMR-CRAIPNDOSA-N 273.420 4.533 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CNC1CCC1)C(C)(C)C 2239486598 IKEIMRBMMOYEQJ-SJORKVTESA-N 281.484 4.695 30 10 CJEE CCCCCCCCCOc1cccc(F)c1[C@H](C)N 2239488072 WTDOPDBXURNFCB-AWEZNQCLSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCCOC[C@@H](N)C1CC2(CC2)C1 2239493319 RNSKRUUHBSLUDQ-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC2(CC2)[C@@H]1N 2239493716 VZLUKLZGFGMKBR-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1COCCC1(F)F 2240619887 MRHSGNSAEPFOAR-GJZGRUSLSA-N 292.410 4.550 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2OC 2240643585 ZQXBLYLGNMZPEE-AVEIZBFRSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCOC(C)(C)C1 2240644846 NRKUSAULNPAHTF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC1(CC)CC1)NC 2240654966 XAITXFAFGZRMCI-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE C=C(C)CCC(=O)c1scc(Br)c1Cl 2241252506 SMXXOJOIKXEDPH-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE CC1CC2(C1)CC(SC[C@H](CS)C(C)C)C2 2245182806 WBYRYJYBHGQBQQ-UDXKHGJESA-N 258.496 4.500 30 10 CJEE N#C[C@@]1(CC(Cl)=CCl)CCCCC12CCC2 2246237934 MQCHXNZRWPVMIS-ZDUSSCGKSA-N 258.192 4.950 30 10 CJEE C=CCCCSc1ccc(Cl)cc1CNCC 2250066150 VWCZTNJZIVTETA-UHFFFAOYSA-N 269.841 4.508 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(Br)cc1C 2250180675 DKHJOHVICPGSFN-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)[C@H](C#N)CC(C)C 2258565875 MBRIBNYDWPHZDR-JTQLQIEISA-N 284.186 4.670 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)CC#C[Si](C)(C)C 2258581697 LMMDHXDOELSRNX-UHFFFAOYSA-N 299.273 4.755 30 10 CJEE C=C(C)CCCCOc1c(Cl)cc(Cl)cc1CN 2259196116 DONNWFLJFPEOKO-UHFFFAOYSA-N 288.218 4.577 30 10 CJEE CCCCCCC[C@H](N)CC1CC2(CC(F)C2)C1 2259543457 DGNLMCRNQCYTET-UFFJXHMVSA-N 255.421 4.593 30 10 CJEE CCCC[C@@](C)(C=O)CC1(CSC)CC(F)(F)C1 2260970165 URRMQHVJZNSQLS-GFCCVEGCSA-N 278.408 4.550 30 10 CJEE O[C@@H](CC#CC1CCCC1)c1cc2sccc2s1 2261163757 JQRHQYFEXCQSAT-LBPRGKRZSA-N 276.426 4.580 30 10 CJEE C[C@@H]1C[C@@](C#N)(CC2(C)CC(C(F)(F)F)C2)CCS1 2264693572 MXCNMASULPIVDL-IKWCTNDRSA-N 291.382 4.781 30 10 CJEE C=CCC[C@@H](C)NCCC12CC3CC(CC(C3)C1)C2 2265018771 BHIZILYPGXJCJV-CZVCLPBNSA-N 261.453 4.537 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C#N)CCCOC2(C)C)C1 2265036383 DXFJVTQJSKJYIV-INMHGKMJSA-N 263.425 4.692 30 10 CJEE C=C[C@H](C)C[C@@H](CC[C@H]1CCCC12CC2)NCCC 2266638558 DLGYMXRWVCJVBO-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CCCCC#CC[C@H](NCC)c1csc(C2CC2)c1 2267852177 HQEWPMPDJMKXBY-INIZCTEOSA-N 275.461 4.860 30 10 CJEE CC1CCC([C@](C)(O)CC=CC#CC(C)(C)C)CC1 2268728178 LIDFLXVJJNFKHN-LEOMRAHMSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1c(Cl)cccc1Cl 2268742837 OHKCNADFYXROMC-CQSZACIVSA-N 296.241 4.989 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C=O)CCCCC1(C)C 2268743699 VJLAFERQGITBLB-GOSISDBHSA-N 260.421 4.768 30 10 CJEE C=CCCCS[C@H]1C[C@H](NCCC)CC2(CCC2)C1 2271490994 HSYUZSATDCCNRG-HOTGVXAUSA-N 281.509 4.777 30 10 CJEE C=CCCCCCCCS[C@@H](C)[C@@H](C#N)NCCC 2271517394 SHCPKMGOCQQOAB-JKSUJKDBSA-N 282.497 4.526 30 10 CJEE C=CCCS[C@H](CC)[C@H](NCCC)c1ccccc1 2271588982 CNEXWIHBANLCCW-IAGOWNOFSA-N 277.477 4.815 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1CC[C@H](C(F)(F)F)CC1 2271792180 SDPNKMOZFDSWSG-MGPQQGTHSA-N 278.358 4.853 30 10 CJEE C=CCCCCCCCNCC1CC2(CC(F)C2)C1 2272220279 HCBODSYCUHFGJL-UHFFFAOYSA-N 267.432 4.631 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1NC[C@H](C(C)C)S1 2272261655 UJQMYZDOHQOGQN-HUUCEWRRSA-N 284.513 4.556 30 10 CJEE C=CCCC[C@H](C)Nc1cnc(C(F)(F)F)c(C)c1 2272557170 ZCFDEICKYKEWGC-NSHDSACASA-N 272.314 4.566 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C[C@@H](C)C(C)(C)C 2274071532 FYMGMTCKKOOYSP-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1sccc1CC 2274128439 KDYVULUYPRUGGN-MRXNPFEDSA-N 275.461 4.545 30 10 CJEE CCCCCCC[C@](CC)(OCCCN)C1CCC1 2276772764 NHYLCQXKDMBQLY-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@]1(OCCN)CC[C@H]1CC(C)C 2277230177 XAKYZVYMCIAJLX-DLBZAZTESA-N 269.473 4.517 30 10 CJEE CC(C)(C)c1ccc(NCc2ccsc2C#N)cc1 2277473676 AEJRLKKGTMZYGD-UHFFFAOYSA-N 270.401 4.529 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC(C)(C)C 2278176269 OKBRBSOUMRIBIJ-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C(C)(C)CC 2278232929 BOBRFVYHCFWHJY-WBVHZDCISA-N 271.489 4.642 30 10 CJEE CCc1ccsc1[C@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2283087195 GFZBQYHISIWIHX-DOTOQJQBSA-N 291.460 4.844 30 10 CJEE CCCCCCC[C@]1(N)CCCc2c(OC)cccc21 2283731651 IMGFZSYLDWCCML-SFHVURJKSA-N 275.436 4.546 30 10 CJEE C=CCCCS[C@@H]1CCC(C)(C)[C@@](C#N)(NCCC)C1 2287097433 VTLCEQJRAKWCBD-NVXWUHKLSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCCC1(CNC2CC2)C[C@@H]2CC[C@H](C1)S2 2287465917 CTTHVBDOLTTYJS-JWTNVVGKSA-N 293.520 4.919 30 10 CJEE C=CCN(CCCCCCCCCCCCO)C(C)C 2289423696 DAAWYOLTJSYKCO-UHFFFAOYSA-N 283.500 4.776 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CC[C@H](CC)CC1 2289781880 MWVNDQKLKOEGJC-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1(CC(C)C)CCCC1 2289880468 IKKWSXDMZJTORC-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(COC)cc1F 2289885221 FWFRZCRFXBENCZ-KRWDZBQOSA-N 282.399 4.756 30 10 CJEE C#C[C@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccccc1 2290340420 LFKWDSOEWCBGSN-IRXDYDNUSA-N 269.432 4.555 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C1(C)CCCC1 2290609417 QUGOQNWJBRFSRB-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC[C@H](C[C@@]1(C)C[C@H]1C)OCCN 2292846731 KYYAZIZXRBMPNG-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C#CCCC[C@](C)(CCCCCCCC)OCCCN 2293062210 CHQVSPVDGLASHX-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1ccco1 2293526675 CBLIDQLAELROQV-INIZCTEOSA-N 281.440 4.827 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1cc(C)co1 2293783962 DFYDEQHOMKXETH-MRXNPFEDSA-N 279.424 4.521 30 10 CJEE C=CC[C@H](C)[C@](CC)(OCCN)C1CCC(C)(C)CC1 2294623208 XTIQGIWZSKWMLX-YJBOKZPZSA-N 281.484 4.539 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1c(C)c(C)c(C)c(C)c1C)NC 2294723623 RZINRYKAYXJLFW-SGTLLEGYSA-N 273.464 4.571 30 10 CJEE CC[C@](O)(C#Cc1ccccc1Cl)CC1CCCCC1 2295238036 VHPHUCHUWDVPJH-SFHVURJKSA-N 290.834 4.803 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nccn1C(C)C 2295585693 PGZBGZPKGBKHOU-KRWDZBQOSA-N 280.456 4.812 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nccn1C(F)F 2295597475 VXKKLYXRLNDUJF-HNNXBMFYSA-N 288.382 4.626 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cnn(C)c1Cl 2295674277 PPOXMYXQFMWUPU-CQSZACIVSA-N 299.890 4.692 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1nccn1C 2295690423 BFDQKWOPDGKYAH-JKSUJKDBSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCN(C)[C@@H](C)C1 2295691110 IQGLSLHPOLOOKQ-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(CC1CC1)NCC 2295766976 SDKRCWDDHCXUDO-RDJZCZTQSA-N 296.524 4.608 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCCC2)CC[C@@H]1N 2313642967 AHVLEKZSMHXPBO-SOUVJXGZSA-N 267.482 4.515 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)C)cc1C 2313699948 WPFUIXGCKNPFKH-AWEZNQCLSA-N 263.450 4.550 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@](C)(CC)C(F)F 2315001447 ISWWIEYHTXXUIE-YDHLFZDLSA-N 261.400 4.638 30 10 CJEE CCCCCCCC[C@@](C)(O)C#Cc1cccs1 2316458468 LPGHVWPYNYRCAR-MRXNPFEDSA-N 264.434 4.601 30 10 CJEE C=CCC(CC=C)C1(C(=O)O)CCCCCCC1 2316736864 QINPDMGKLNBAHH-UHFFFAOYSA-N 250.382 4.570 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H](C)C(C)(C)C 2316752759 QXMVFSRNMVIADN-GOEBONIOSA-N 251.458 4.805 30 10 CJEE CC1(CCCOCC2(CS)CCCCCC2)CC1 2318718128 BCLCGNHNWHDREP-UHFFFAOYSA-N 270.482 4.854 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(C)(C)C(C)(F)F)NC 2321117013 MCGOPXKEMDTPRQ-OCCSQVGLSA-N 261.400 4.638 30 10 CJEE C=CC[C@H](C)[C@@H](CCC[C@@H]1CC1(C)C)NCCC 2321129536 BTZKCBCWVLQCFC-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCCCCN1C[C@@](C)(CS)C(C)(C)C 2327096235 LDIXGQUCEXYSIH-ZBFHGGJFSA-N 271.514 4.623 30 10 CJEE C#CC[C@H](C)C[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2327988581 SCEGHFSSDKGGRD-ZUZCIYMTSA-N 285.214 4.559 30 10 CJEE SCC1(CO[C@H]2CC[C@@H]3CC[C@H]2C3)CCCCCC1 2328854717 AWXUQKGGNHMOCQ-JYJNAYRXSA-N 282.493 4.852 30 10 CJEE CC(=NOCc1ccc(Cl)c(Cl)c1)C(C)C 2329912953 XAHQXCXKCPQSRE-UHFFFAOYSA-N 260.164 4.542 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C[C@@]23CCC[C@@H]2C3)CC1 2331367489 MDWDYIBINJCONI-DAYGRLMNSA-N 260.421 4.908 30 10 CJEE C=CCC(CC=C)N[C@@H](CC)C1CCC(F)(F)CC1 2335096302 LRPLDAQIHKLQGK-HNNXBMFYSA-N 271.395 4.701 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](CC)NCCC)cn1 2335244237 FDAODEHOUUIBHP-DZGCQCFKSA-N 278.465 4.589 30 10 CJEE C=CCCC(C)(C)CNCc1c(F)ccc(C)c1Cl 2335424266 PGLSJWTUVOUSEF-UHFFFAOYSA-N 283.818 4.870 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ncc(CC)s1 2338698889 JDJIIYYRYXDRCQ-OAHLLOKOSA-N 278.465 4.515 30 10 CJEE CCCCCCC[C@H](N)c1c(F)cc(OC)cc1Cl 2338715044 MZBRSPQWEQVKMK-AWEZNQCLSA-N 287.806 4.848 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC(C)C)CC[C@H](C)C1 2338726925 FZGKVWMHWWLWFH-FUHWJXTLSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)(C)C)CC[C@H](C)C1 2338727749 NORBCRGGYWIPHI-YJBOKZPZSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@@H]1C1CCC1 2338733754 VMNOZZKZQZBUCY-KURKYZTESA-N 261.453 4.559 30 10 CJEE C=C1C[C@H]1C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341121784 KVJIMZXREXQIPC-BBRMVZONSA-N 298.257 4.870 30 10 CJEE C=CCCCCCCCCC=CC12CC(CCN1)C2 2341335980 FIGAOHXRDAPKMC-UHFFFAOYSA-N 261.453 4.992 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CC[C@H]1C1CC1)NCC 2342340859 SIORPOPKWUWCAO-BZSNNMDCSA-N 261.453 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC 2344335782 CNSYWGSHRJYFRT-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(CCC)c1 2344347345 AVHVNCUWOMUJRI-ZWKOTPCHSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)c(OC)c1 2344382231 FMDONPHLIBZSQX-JKSUJKDBSA-N 281.827 4.602 30 10 CJEE CCC[C@H](CC)C[C@@]1(C=O)CCCc2ccccc21 2353446494 MEZYZQPEUSMEIV-MAUKXSAKSA-N 258.405 4.676 30 10 CJEE C[C@@H]1O[C@H](C)C[C@@]1(C#N)C[C@@H]1C[C@H]1C1CCCCCC1 2357826552 KDRKMOURNAOFLU-SRIISGBFSA-N 275.436 4.690 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359097782 INSQUTRWGHEKRA-GVDBMIGSSA-N 278.436 4.677 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cc2ccccc2o1 2360203551 ZVYKRVGLZNCFOY-OAHLLOKOSA-N 287.428 4.687 30 10 CJEE C=CCC(CC=C)OC(=O)c1csc2c1CC[C@@H](C)C2 2360213336 SDXNSIOUUYHANG-GFCCVEGCSA-N 290.428 4.551 30 10 CJEE CC(C)c1ccc(C[C@](C)(C=O)c2ccccc2)cc1 11797437 HYRMXAUGHSCLKC-LJQANCHMSA-N 266.384 4.509 30 10 CJEE N#Cc1ccccc1NC(c1cccs1)c1cccs1 37203054 YROAJPZBYWCSDJ-UHFFFAOYSA-N 296.420 4.883 30 10 CJEE CCC[C@@H](Nc1ccccc1C#N)c1cccs1 44388729 LZSVPJZOXSNRIR-CQSZACIVSA-N 256.374 4.573 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccc(F)cc2)c(C)c1 57685775 BNOJHQWVJBTPGK-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE Cc1cccc(C)c1OCCC[C@@](C)(C#N)c1ccccc1 57687493 LPAQLGFGQGDAAL-FQEVSTJZSA-N 293.410 4.944 30 10 CJEE COc1ccc(Cl)cc1C[C@@H](C#N)c1cc(C)ccc1C 57762713 OLXDPFATRHPJQX-HNNXBMFYSA-N 299.801 4.815 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(F)cc1 59089907 WWXVKZJAIDKRGA-AWEZNQCLSA-N 251.389 4.664 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 71132207 MXBSMMJLNLTTQM-RYUDHWBXSA-N 263.768 4.559 30 10 CJEE C=CCCCNc1c(Cl)cccc1C(F)(F)F 71275399 FLDVAXYRPQAOTM-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CCCOc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1 77079476 DLSFMHWPJAOWPR-UHFFFAOYSA-N 283.371 4.925 30 10 CJEE CC(C)(C)[C@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 79343840 MCKHFBXVSHGONB-AWEZNQCLSA-N 290.838 4.864 30 10 CJEE Cc1ccc(C)c(SC[C@@H](CS)C(C)C)c1 87096179 QGEZCNGIQBPUHM-CYBMUJFWSA-N 254.464 4.598 30 10 CJEE SC/C=C/CSc1ccc(Cl)c(Cl)c1 87098361 OPCZJVIMECZLCG-OWOJBTEDSA-N 265.230 4.572 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@H]1CN 91367039 SHIZPSJYSAWTFV-DLBZAZTESA-N 269.473 4.519 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc2cc(C)ccc2o1 97389976 WKHOBNOYDUKJAW-MRXNPFEDSA-N 269.388 4.585 30 10 CJEE C[C@@H]1CCCN(CCCCCCCCCS)CC1 97799109 GHZOHNVPQSEIRB-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE CCCCCCCCCONC(=O)Nc1ccc(C)cc1 100844522 QTZPNZLMOQHVEX-UHFFFAOYSA-N 292.423 4.799 30 10 CJEE CCCCCCCOCCCC[C@@H](C)NCCC 106246519 SYGPYCMHKGBHCH-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCC#CCCc1cc(Cl)c(OC)c(Cl)c1 107536878 CEQWBAWJYHUZGL-UHFFFAOYSA-N 271.187 4.738 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)c(C)cc1OCC 107621194 HUUYFHDPQMGSOB-NSHDSACASA-N 250.769 4.564 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(C)cc(C)c1OCC 107663947 MXMSHOLNFNYYTC-ZBFHGGJFSA-N 258.405 4.855 30 10 CJEE CCCCCCCCC[C@@H](CC(F)(F)F)NC 107686642 VXLQPYSRCQCMAT-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(F)cc1F 109946835 LYUSQLDNOSXXAG-CYBMUJFWSA-N 269.379 4.803 30 10 CJEE C=CCOc1ccc(CN[C@@H](CC)C2CCCCC2)cc1 109952598 ZMURGOIQISYSHH-IBGZPJMESA-N 287.447 4.700 30 10 CJEE Cc1ccc(Nc2ccc(Cl)cc2C#N)cc1C 110253375 QPEYXWNLPZGEIJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1nc2c(cc1C#N)CCC2 110260310 JISXALIMWZIBIA-UHFFFAOYSA-N 298.773 4.505 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2ccc(C#N)c(Cl)c2)C1 110354424 VEKKFBXHBXFSQR-ZYHUDNBSSA-N 265.809 4.882 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCOC1 115834178 LOXHTHKMDBFQEJ-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(N)cc1C 115854466 DIMCIVQHIJXOQE-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCC[C@@H](NCC)C(C)(C)N1CCCCC1 118146630 OKNAPUZNDYLXEF-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](NN)C1(CC(C)C)CCCC1 122305555 PFCHHPYETXXVJA-INIZCTEOSA-N 268.489 4.785 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC1(CS)CCCC1)C2 124515832 FOZWVDPPFKFQPE-LZWOXQAQSA-N 282.493 4.708 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccn([C@H](C)CC)n1 124897953 BABOGXOQZSPCJI-AEFFLSMTSA-N 294.483 4.898 30 10 CJEE CCCCCCCCCC[C@@H](Cc1cccc(C)c1)NN 125856010 PLJHRSAOOHUHEE-IBGZPJMESA-N 290.495 4.900 30 10 CJEE CCCCCCCCNCc1ccc2nc(C)ccc2c1 126994187 ROIGQEPCKGCQSA-UHFFFAOYSA-N 284.447 4.993 30 10 CJEE CCCCCCCC(=O)[C@@H](C)C(=O)c1ccccc1F 127387511 ZAUASQAZJPMZFJ-CYBMUJFWSA-N 278.367 4.574 30 10 CJEE N#Cc1cc(F)c(Nc2ccc(C(F)(F)F)cc2)c(F)c1 127422814 LVZBZNBLFFGJEW-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CCN(C)C 134773946 SAESINKQOQXTNQ-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE CCCCCCCC[C@H](O)c1cncc(OCCC)c1 157144528 BPHOAMAYMSFWGN-KRWDZBQOSA-N 279.424 4.654 30 10 CJEE CCCCCCCCNc1nc2c([N+](=O)[O-])cccc2o1 159391586 QLZXEZQHFKSVKZ-UHFFFAOYSA-N 291.351 4.508 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CCC(C)(C)O2)CC1 161270001 NSKARFSLVROZIY-ISXOHVOVSA-N 263.425 4.690 30 10 CJEE Cc1ccccc1S[C@H](C#N)C1CCCCCC1 167877473 ZQKPQAAJGVOLJF-MRXNPFEDSA-N 259.418 4.950 30 10 CJEE C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2ccccc2c1 185756089 BOTFFOITBCNPDI-YZVOILCLSA-N 278.399 4.573 30 10 CJEE CCCCCCCCCC[C@H](O)CNc1ccccc1 196185956 RJSIXMKTNAZKKZ-SFHVURJKSA-N 277.452 4.990 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 228888009 VKLVQTGVYAWBKY-MELADBBJSA-N 288.460 4.907 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](OC)C(C)(C)C 233124483 OBHDFWKFUIYIPJ-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE C#Cc1cccc(N[C@H](C)c2csc(Cl)c2)c1 235240233 NBHHGLPTYSJLGW-SNVBAGLBSA-N 261.777 4.556 30 10 CJEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(F)c2F)c1 235857794 DFOAMNKBAVZQKC-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE Cc1ccc(Sc2cc(C)ccc2C)c(C#N)c1 235860185 LLFOFCPIWOCQKT-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE N#C[C@@H](CSc1ccc2ccccc2c1)C(F)(F)F 236136105 NUAKSMMWBRPLOP-LBPRGKRZSA-N 281.302 4.634 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2c(c1)CCCN2 236394265 XESWYULBFZVKET-UHFFFAOYSA-N 269.388 4.508 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@H](S[C@H]2CCC[C@@H](C)C2)C1 251849071 OVDLISIFOYVFJU-LTIDMASMSA-N 294.508 4.501 30 10 CJEE CC[C@@H](C#N)c1csc(-c2ccc(Cl)s2)n1 259233703 JJFCOUUWDJBVAJ-ZETCQYMHSA-N 268.794 4.542 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCC(F)(F)C1)NN 302419900 LNERQXIYPRZHPG-CABCVRRESA-N 290.442 4.785 30 10 CJEE CC[C@@H](Nc1cc(C)cc(C#N)c1)c1ccccc1F 308123019 QRCBVOCVYMBMIF-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE C=CCC(C)(C)CNc1c(Cl)cc(N)cc1Cl 310527744 YKEBRGYSYWRNBV-UHFFFAOYSA-N 273.207 4.590 30 10 CJEE CCCCCCCC[C@H]1CCN[C@@H](C(F)(F)F)C1 310713010 MCHSVZRRNTYGMR-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C1CCCCCCC1 311340892 PAESDHPYAAYTJJ-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(F)c(OC)c1 312437413 MOIBAUJDVXIMOS-CQSZACIVSA-N 279.399 4.621 30 10 CJEE Cc1cccc(C#N)c1Sc1ccc2ccccc2n1 312712787 TVTNMOUPBBCHGT-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=CCCC1(CNCC)CCC(C(C)(C)C)CC1 317176560 UZBIJJRSPWGMCV-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](CNC(C)C)OC(C)C 318334975 SVCNXMVCEIDXOZ-QGZVFWFLSA-N 271.489 4.919 30 10 CJEE N#CC1(c2ccc(Cl)cc2[N+](=O)[O-])CCCCCCC1 380640092 WFDWGSQBUXJJPS-UHFFFAOYSA-N 292.766 4.754 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccnc3ccccc23)C1 383857004 XDYWODHQNZICKT-KBXCAEBGSA-N 264.372 4.596 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CN)CCCC[C@@H]1C 384952894 GKISEGFJLFYGOB-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCC[C@H]1C(C)(C)C 386213497 NEUPVDPRSOEXCU-CABCVRRESA-N 251.458 4.783 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCC[C@@H](C)C1 388603269 AASATNHJIHVNIX-IXDOHACOSA-N 263.469 4.621 30 10 CJEE C=CCCCCN[C@H](C)c1sc(C(C)(C)C)nc1C 389197600 QLCSMQSHZPRWFF-GFCCVEGCSA-N 280.481 4.756 30 10 CJEE C=CCC(C)(C)CNCc1ccc(Cl)cc1Cl 393883040 NPVUXRCKLGBLPY-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)C1CCC1 399195606 RYKNLBLJLGEDMK-GOSISDBHSA-N 281.484 4.994 30 10 CJEE CCCCCCCC[C@@H](CC1(COC)CC1)NCC 401267180 UNCFVJPEULNBMA-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CCC[C@H](C)C1 686708708 NQQYAVGGOZSFEC-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE CCc1ccc(CC)c(Nc2c(C)cccc2C#N)c1 689597929 SSRSLJBGRBMOIL-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(Cl)cc(F)c1F 690914492 RWVNQYDRQVDPDQ-ZDUSSCGKSA-N 273.754 4.625 30 10 CJEE CC(C)[C@H]1CCCCC[C@@H]1Nc1ccccc1C#N 691045557 MZGKTBQMKZHZPO-WBVHZDCISA-N 256.393 4.575 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)cc(F)c2F)c1 691328899 BQPPVCAAZHPRPI-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCCN[C@@H]1CCCC(F)(F)C1 695136881 LTKWIIWOSMBPLC-CQSZACIVSA-N 261.400 4.905 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C[C@@H](C)CC 698916048 IWRBWQFRXMPQKH-YOEHRIQHSA-N 296.455 4.742 30 10 CJEE CCC[C@H]1CN/C(=N/CC2CC(C)(C)CC(C)(C)C2)S1 699564575 DCDLXLCTJHZYFH-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE CCCCCC[C@@H](C)OCc1ccc(C)c(C#N)c1 701860651 GNDUTPDLEZAKAX-OAHLLOKOSA-N 259.393 4.742 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)C[C@H]1C 703333915 HGNPQBXSTVREIK-NVXWUHKLSA-N 251.458 4.905 30 10 CJEE CCCCCCCNCc1ccc(C)cc1Br 703752111 GFDVSUULZLAFEQ-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 703773123 XZKLUONHEYURRU-XOKHGSTOSA-N 270.420 4.739 30 10 CJEE CCCCCCCNc1ccc2scnc2c1[N+](=O)[O-] 705970156 KQGYSJVMIWJSBH-UHFFFAOYSA-N 293.392 4.587 30 10 CJEE C=C[C@H](C)O[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NCCC 706073470 KJKXQYMHCBMDCO-MWDXBVQZSA-N 281.484 4.551 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 709105092 FUZFOZZVQWEPMU-RISCZKNCSA-N 277.795 4.589 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCCc2ccccc21 710665643 YMGWBFSINZSOEH-SFHVURJKSA-N 291.866 4.791 30 10 CJEE C1CCCC2(CCC1)CS/C(=N/C1CCCCCC1)N2 713202308 HQBQNIWHSDVAAT-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 715813179 JTVBVVRMKBFFTF-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN(C)CCCCCCCCCS 716532794 GDLCZMCIJIFRDQ-OWSLCNJRSA-N 297.552 4.871 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1Nc1ccc(C#N)cc1Cl 717556253 URTHAPVZASCPNH-NHYWBVRUSA-N 276.811 4.838 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1ccc(Cl)cc1C#N 719294830 BHNMDEUMATWMMD-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 723627928 ZYGJFTSCMWLTCS-HLLBOEOZSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CNc2ccc(F)cc2Br)CC1 724554100 SQVAKRFOGUDCNN-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=C1CCC(CCC[C@H](NCC)C(C)(C)C)CC1 724589172 AQKRVCRCXMMBCI-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2C[C@H]2C2CC2)NCC)CC1 724607708 QOKIIJOSLUEMKW-SQNIBIBYSA-N 261.453 4.537 30 10 CJEE CC/C(=N\OCc1ccc(C#N)cc1)c1ccc(C)cc1C 821218944 DZLVNWYEUMLGME-XUTLUUPISA-N 292.382 4.506 30 10 CJEE C=CCN(CCC#N)CC1CCC2(CCCCC2)CC1 1182007846 LKIZQSCJTOZYLV-UHFFFAOYSA-N 274.452 4.529 30 10 CJEE C#Cc1ccc(N[C@H]2CCCC(C)(C)C2)c(Cl)c1 1184098223 UVQQWYVBMAPENV-ZDUSSCGKSA-N 261.796 4.702 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc(Oc2ccccc2)cc1 1196319982 VZFMJWZYGYJUKG-UHFFFAOYSA-N 296.370 4.567 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@@H]2CC3CCC2CC3)c(Cl)c1 1207703606 HTLGCCGJHONARR-KKOFPSKJSA-N 287.834 4.948 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCSC2(CCC2)C1 1207719357 GLIOUKIFMTVZNZ-LSDHHAIUSA-N 267.482 4.529 30 10 CJEE C=CCCC[C@@H](NC(=O)NC(C)(C)CC)c1ccccc1 1254755643 SIUAGDJIPYRSAI-MRXNPFEDSA-N 288.435 4.572 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 1264788079 DOXGIFRMNKGELL-AWEZNQCLSA-N 287.403 4.571 30 10 CJEE C=C(Br)CSCc1ccc(SC)cc1 1307336856 GWUTXYIUEJLJCW-UHFFFAOYSA-N 289.263 4.550 30 10 CJEE CCCCCCCN(C)[C@@H]1CCCc2nc(CC)sc21 1307542707 FJPGMRXLSAWDFI-OAHLLOKOSA-N 294.508 4.985 30 10 CJEE C=C(C)[C@H](NCCC=C(C)C)c1ccc(F)c(F)c1 1307699502 VGRKZOKXMITECG-INIZCTEOSA-N 265.347 4.528 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCCc2nc(C)sc21 1308636300 YFLWIFWTVTZWCL-DZGCQCFKSA-N 292.492 4.944 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1ccc(F)cc1 1308859306 LGSWREOQPCSOTH-LESCRADOSA-N 275.411 4.654 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc2c(ccn2CC(C)C)c1 1351600075 FBTYQFPSKKTGMS-UHFFFAOYSA-N 298.430 4.838 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(OC2CCCC2)c1 1358074568 LGBZEDXVZKARJU-GOSISDBHSA-N 287.403 4.549 30 10 CJEE C=CCC[C@H](NC(=O)c1ccc(F)c(C)c1)c1ccccc1 1435622605 SWSFBPOYUJKGHO-SFHVURJKSA-N 297.373 4.571 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1435913150 GNGSMHXWSLDOKU-IRXDYDNUSA-N 291.479 4.866 30 10 CJEE C=CCCCN1Cc2ccccc2-c2ccccc2C1 1459407791 XGSQJLGNFTWLLX-UHFFFAOYSA-N 263.384 4.635 30 10 CJEE C=CCOc1ccc(CN[C@H](C)C[C@@H](C)CC)cc1Cl 1461249214 PPJWQKKAOQFJGG-UONOGXRCSA-N 295.854 4.819 30 10 CJEE CCCCCCCCCN1CC(F)(F)CC[C@@H]1C 1473878965 CGCJFSQSDQWNPW-AWEZNQCLSA-N 261.400 4.857 30 10 CJEE C=CCCCCCN(C)Cc1cnc2c(F)cccc2c1 1474370479 UHWHJRNAWBRIQJ-UHFFFAOYSA-N 286.394 4.552 30 10 CJEE C=C(C)c1cccc(N[C@H]2C[C@H](OC)C2(CC)CC)c1 1474741603 WTBNMZXJMSKMSW-IRXDYDNUSA-N 273.420 4.725 30 10 CJEE C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1518324695 GALSNGBOCLFHIR-HNNXBMFYSA-N 299.458 4.560 30 10 CJEE C=CCC1(NC(=O)c2ccc(C(C)(C)C)cc2)CCCCC1 1521566331 GNMQKRNMYFNVAX-UHFFFAOYSA-N 299.458 4.993 30 10 CJEE C=CCC1(NC(=O)CC(C)(C)c2ccccc2)CCCCC1 1521567638 VQFVMZUCUBIBPO-UHFFFAOYSA-N 299.458 4.750 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](CC)CCCC 1538890055 IXVWSGLRHPCSEN-BBWFWOEESA-N 279.468 4.844 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H]1CCCc2ccc(Cl)cc21 1623747539 KBTCPYICLKYVMC-WBVHZDCISA-N 292.806 4.863 30 10 CJEE C=CCCC(C)(C)NC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 1634505279 VFUDNOSCHLUNFW-CVEARBPZSA-N 294.483 4.635 30 10 CJEE C#CC[C@H]1CCCN(CC2CCC(C(C)(C)C)CC2)C1 1643559212 CDQAJZGXOPFETD-AOCRQIFASA-N 275.480 4.574 30 10 CJEE C=CCCCN(C1CCC(C(C)(C)C)CC1)[C@H](CC)CO 1647857590 WWXOUIAMQNWZDE-LXPRWKDFSA-N 295.511 4.630 30 10 CJEE C=C(C)c1cccc(NCc2ccccc2Cl)c1 1651651113 ARSUXPRGRDCDLY-UHFFFAOYSA-N 257.764 4.985 30 10 CJEE C=CCN(CC=C)CCCCc1cccc(C(F)(F)F)c1 1652043655 AJPLCRDLQHINSU-UHFFFAOYSA-N 297.364 4.702 30 10 CJEE CCCCCCCCN(C)Cc1ccc(OC)c(F)c1 1653145995 WOSKLPZHZFYPDE-UHFFFAOYSA-N 281.415 4.627 30 10 CJEE C#CC[C@H](NC/C=C\c1ccc(Cl)cc1)c1ccccc1 1653965643 VIJMAOOEPQJZCF-QJSCKGPTSA-N 295.813 4.707 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCc1cccc(Cl)c1Cl 1655141926 XTFYUECNJBWBJT-OKILXGFUSA-N 296.241 4.719 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2snc(Cl)c2C#N)CC1 1655395176 BYIFEMLPRBCABD-WDEREUQCSA-N 297.855 4.685 30 10 CJEE C=CCCCCCN(C)Cc1ccccc1SCC 1657377426 AGNQBJOTOQVLSM-UHFFFAOYSA-N 277.477 4.977 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)c1ccsc1 1658993078 ZHBLOVLMDKLNDV-UONOGXRCSA-N 251.439 4.924 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCc1ccccc1Cl 1659400580 CVOHQNVFTOXOTH-WMZOPIPTSA-N 291.866 4.997 30 10 CJEE C=CCCCN[C@H](C)CCc1cccc(C(F)(F)F)c1 1659661731 ADFOQGSXFVLOSQ-CYBMUJFWSA-N 285.353 4.582 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@]1(C)CCCOC1 1877732234 NLCVJLFCVYTYNM-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H](CC)CCCC 1879342695 BBGPJRKIUYYVTK-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@H](C)C1CCCCC1 1883482973 IOKRPRWLCRKPON-RYQLBKOJSA-N 261.453 4.776 30 10 CJEE CC#CCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN 1885236221 JLBHRYVULLGOML-BRWVUGGUSA-N 263.469 4.607 30 10 CJEE CCCCCCCN(C)[C@@H](C)c1cc(C)ccc1O 1887058057 YZQBZJLNDJEKEU-HNNXBMFYSA-N 263.425 4.664 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(Cl)cc1C 1887451724 GVXVVHKTDHNRNB-DYVFJYSZSA-N 277.839 4.739 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1ccc(Cl)cc1 1888700924 JSIYMMSPMZUIFV-KRWDZBQOSA-N 271.791 4.704 30 10 CJEE C=CCC(C)(C)[C@H](N)c1c(Cl)cccc1Cl 1903139995 LJJJIGWOYXAJJX-GFCCVEGCSA-N 258.192 4.596 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1csc(Cl)c1 1903150609 YGWLCZFAYMZIGM-STQMWFEESA-N 257.830 4.654 30 10 CJEE CCCCCCC[C@]1(N)CCCc2sccc21 1919498210 QBPMRRKNXVNRMX-HNNXBMFYSA-N 251.439 4.599 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)[C@@H]1CCC[C@H](C)C1 1920809241 BWAJTGHWWDBHNZ-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC(=O)CC1CC(C(F)F)C1 1925114977 YPGMARSIOQANJE-UHFFFAOYSA-N 260.368 4.988 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2c(c1)[C@@H](C)CO2 1925714813 CTJZEOHCALWRQF-YOEHRIQHSA-N 275.436 4.804 30 10 CJEE CC(C)[C@H](C)N(Cc1ccccc1)c1cccc(C#N)c1 1931999011 SOQUOGYLFFLMHV-INIZCTEOSA-N 278.399 4.609 30 10 CJEE C=C1CC(CN[C@@H](C)c2cccc(Cl)c2Cl)C1 1942512023 SZZPWGTYSSUUHS-JTQLQIEISA-N 270.203 4.610 30 10 CJEE CC(C)CC(C)(C)Nc1cccc(Br)c1C#N 1946976704 QJCTVXORSZXYNE-UHFFFAOYSA-N 295.224 4.557 30 10 CJEE C=C([C@@H](NC)c1cccc(Cl)c1C)C(C)(C)C 1947457079 UZBNDAXTXLPSQI-CQSZACIVSA-N 251.801 4.511 30 10 CJEE C=CCCCCCN1CCC[C@@H](c2nc(CC)cs2)C1 1964131013 YLWSHJRDONFPTG-OAHLLOKOSA-N 292.492 4.631 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc(C)c(C)c1 1966153366 CPVUCXIMIORQPP-QGZVFWFLSA-N 257.421 4.538 30 10 CJEE C[C@@H](C1CC1)N(CCC#N)Cc1cccc(Cl)c1Cl 1969285478 PIJUONVHTPGZGD-NSHDSACASA-N 297.229 4.508 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccc(Br)cc1 1978652703 HORLZJDADGNUAM-AWEZNQCLSA-N 280.209 4.712 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cc(Cl)sc2Cl)C1 1990734620 SOBKSSJWICMULD-UFBFGSQYSA-N 274.216 4.927 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(Br)co1 1995177609 PBXRHJJMHZLXQP-GFCCVEGCSA-N 286.213 4.569 30 10 CJEE CC(C)(C)C1(C[C@]2(C#N)CCCSC2)CCC1 2018477596 OYYUAYSKVHKFES-AWEZNQCLSA-N 251.439 4.630 30 10 CJEE C=C[C@@](C)(CNCC(C)C)CC1(C)CCCCC1 2027307341 UZEFXUVNZQMQMW-MRXNPFEDSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@H](CC)C(C)(C)O1 2028010981 YDOLPULCCVJPCT-LSDHHAIUSA-N 255.446 4.630 30 10 CJEE CCC[C@H]1CCC[C@@]1(C#N)Nc1ccc(Cl)cc1 2035405154 USWZBUMVQVLXHC-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(C)cc1Cl 2045986585 HWZRSXKVBSZQDX-MRXNPFEDSA-N 266.812 4.976 30 10 CJEE CCC1(C)CCC(N(C)CC[C@@H](C)CCS)CC1 2051645063 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2358686515 NIWCDHULOFIKMN-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2359661329 DDQSLPKHSOOTQB-FPCVCCKLSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)OCc1ccc(CNC(C)(C)C)s1 2360214086 DJAXVDBRBWUVTP-UHFFFAOYSA-N 293.476 4.674 30 10 CJEE C=CCOc1ccc(CNc2ccc(C)cc2Cl)cc1 20471065 PZRLHRPJXMRFAR-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE C/C(=C/c1ccccc1)C(=O)/C(C)=C\c1ccccc1 35228319 QEJFSWMOGORAHD-VMNXYWKNSA-N 262.352 4.763 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1 57743165 ATNZOCYUKTUVRL-CYBMUJFWSA-N 276.166 4.843 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)[C@@H](C)c1ccccc1 57747016 IZMNHQJUQLMZIE-LRDDRELGSA-N 285.774 4.759 30 10 CJEE CCCc1oc(-c2cc(Cl)ccc2C)cc1C#N 77081157 VSGFSRUWPVHPJX-UHFFFAOYSA-N 259.736 4.733 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccccc2)c(C)cc1Cl 83194307 LCQHNPBHLOVRAB-CMDGGOBGSA-N 270.759 4.853 30 10 CJEE CCCC1CCC(C#N)(Cc2ccn([C@H](C)CC)n2)CC1 87959563 KFHHEMPLRAWNNW-KLHKWILBSA-N 287.451 4.897 30 10 CJEE C[C@H]1CC[C@@H](c2nc(-c3cccc(C#N)c3)cs2)C1 87994075 FISDQQCJYVTMOK-SMDDNHRTSA-N 268.385 4.585 30 10 CJEE CCCNCc1cccc(SCCCC(C)(C)C#N)c1 90871565 BEIUJKXTXTYZMQ-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE CCC(CC)(CS)COC1C[C@H](C)C[C@@H](C)C1 94585914 ASXPKMGEIZOSMW-CHWSQXEVSA-N 258.471 4.564 30 10 CJEE CCC(CC)[C@H](C#N)Sc1ccccc1Cl 94674689 SQJNAOLIYYBKID-ZDUSSCGKSA-N 253.798 4.760 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(OCCCC)cc1 97219356 RHOHPHSAHLCBKN-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(OC)cc1 100048897 HCPSZFVYLZMIOA-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102881161 QHHXQKOVHQDCKU-XSWJXKHESA-N 280.415 4.500 30 10 CJEE CCCCCCCn1c(CC#N)nc2cc(CC)ccc21 105502450 RLZDYLXBPFINGR-UHFFFAOYSA-N 283.419 4.635 30 10 CJEE C=CC[C@H](C)c1cc(C)c(C)cc1Br 107479900 TYGSAKPEPOCXGM-VIFPVBQESA-N 253.183 4.746 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1c(C)cc(OCC)cc1C 107646254 DWIPHILUIYGLJO-BBRMVZONSA-N 258.405 4.855 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NCC1(C)C 114062158 LZRHRASWNOISBL-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC(=O)N(CCC)c1ccccc1N 115854727 SIQMYOXHLCUUTA-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C)cc1C 122371640 RZYDRYMIMZMAGF-KRWDZBQOSA-N 262.441 4.558 30 10 CJEE CCCCCCCCC(=O)C(C)(C)c1ccc(N)cc1 122739508 QIZHJOVJMFMTNY-UHFFFAOYSA-N 275.436 4.866 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(CCC)cc1 123029502 ARCPWLMNOHCDFY-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H](CC)OC 124756260 FCEZRFWARGLMQV-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 124771369 JTOXWJRTTZUTBX-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(Br)ccc1C 125672977 LVMFQAPDWQMQGA-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCCc3sccc32)c1 125682303 FOGFSINFXSUWCX-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE CCCCCCCCC[C@H](O)CCC[C@@H]1CCCO1 126174154 ZLXHWZIOXUBWHK-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1CCc2ccccc21 126871183 QDCQKXZYTZLFAG-RTBURBONSA-N 288.479 4.689 30 10 CJEE CCCCCCCCCCC[C@@H](N)[C@@H](C)CCOC 128390904 MOEWYLNLSXFJSD-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCCCNCc1cncn1CCC 129264208 QDZDEQCJNCZQMF-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCCC[C@]1(O)CCc2ccc(OC)cc2C1 129711150 SDKPQKMROIOMCX-IBGZPJMESA-N 290.447 4.666 30 10 CJEE CCCCCCCCCC[C@@H](NN)C(CC)CC 131275450 ZESKMSFVKPZUCH-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE CSc1cccc(Nc2cc(Cl)ccc2C)c1C#N 136616591 AOLSKUWPKKMHNQ-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCSc1cccc(N(CC)CC(CC)CC)c1C#N 136636001 PBYCGVSHDDUDQS-UHFFFAOYSA-N 290.476 4.933 30 10 CJEE CCCCCCC[C@H](N)[C@H]1CSc2ccccc21 139611867 HGDDYTHGZOCULQ-GJZGRUSLSA-N 263.450 4.564 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] 148958624 ZCDHNTIWPSIFPC-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE CC(C)(C)n1c([C@H]2CCCCS2)nc2cc(C#N)ccc21 156300032 BPEFOFFUXNYICO-OAHLLOKOSA-N 299.443 4.621 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(Cl)cc1OC 158029717 LVSCZJKGWSLKQJ-OAHLLOKOSA-N 283.843 4.970 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](OC)C1CCCCC1 158507850 VHYHVAXPLNURDH-IAGOWNOFSA-N 269.473 4.660 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1c(F)cccc1Cl 158905080 HHRXEHBRIKPQPL-INIZCTEOSA-N 283.818 4.602 30 10 CJEE CCCCCCCCCN1CC[C@H](NCCC)[C@H](CC)C1 159479758 HRAPCYDMEHRFEQ-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE C=C(C)CC[C@H]1CC(C)(C)CC[C@@H]1CNCCC 164949799 HMILGNXPDXFTLV-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccsc1 166401492 IDCGWQYPEPNTMG-HNNXBMFYSA-N 268.470 4.783 30 10 CJEE CCCCCCCCCCCCC(=O)CNC1CC1 167522363 RWKGWCOKLFBXOG-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCCCOCCN[C@H](C)CC 168773497 FTFCXRSVXOOORL-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)C1 228601692 PDZLPHNIVVKSBY-VYHHCALRSA-N 277.452 4.530 30 10 CJEE CCCCCCCCOc1c(C=O)cc(Cl)cc1OC 229082527 JCFWHZNCKVADQO-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 229759014 SUYNCLZMMMGVFU-WCIQWLHISA-N 283.459 4.687 30 10 CJEE CCCCCCCCCC[C@H](O)CCOCC(F)(F)F 232081431 LERYSZMVCOOQHV-AWEZNQCLSA-N 298.389 4.847 30 10 CJEE CCC(=CC(=O)Cc1ccc(C(F)(F)F)cc1)CC 232869178 UPOCSBQVDZBHKI-UHFFFAOYSA-N 270.294 4.563 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccoc1CC 232923332 UIDXXEMOCBEUIF-OAHLLOKOSA-N 251.414 4.983 30 10 CJEE CCCCCCCC[C@H](N)c1cnc(C(F)(F)F)s1 232954199 SYKBKXJTUHJYOL-JTQLQIEISA-N 294.386 4.912 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2ccccc2n1 234464905 RTJPBFPDEPIMLC-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cccc(F)c1F 235217201 XTCRAOBZIMQBHI-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1ccc(Nc2ccc(Cl)cc2C)c(C#N)c1 235860746 HJEIZBGTYMBWTD-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE O=C(CSc1cccc(Cl)c1)C1=CCCCCC1 236063116 LXGJZAIJJXXHKO-UHFFFAOYSA-N 280.820 4.892 30 10 CJEE C=CCCCCC[C@H](N)c1sccc1Br 236303893 SQPGUHRLXFOUHF-NSHDSACASA-N 288.254 4.647 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCO[C@H]1C 253019709 BIRFJTDPPYBPDW-BBWFWOEESA-N 269.473 4.530 30 10 CJEE FC(F)(F)c1cc(Cl)ccc1N=Cc1ccccn1 254863119 HZYCQFVMYACBMS-UHFFFAOYSA-N 284.668 4.504 30 10 CJEE C=C(CC)C[C@H](NC)c1ccccc1OCc1ccccc1 310011965 KWYKLBNSBIUKTB-IBGZPJMESA-N 295.426 4.882 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@H](C(C)C)CC1 311188552 BVEUNLYNHPHCKA-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cccc3ccccc23)O1 312465945 WOCIKRKCZZTOHH-ROUUACIJSA-N 265.356 4.538 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2Cc3ccccc32)CC1 317297181 LVNIFFGFTZPJFH-URSIVYNOSA-N 270.416 4.748 30 10 CJEE C=CCCCC1(CNC(C)C)CCC(CC)CC1 318138838 YGCLLVPFWLJOAW-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1cccc(Cl)c1F 320201037 QNFAWNNSJFIVTO-NHCYSSNCSA-N 253.748 4.768 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CN)CCCC[C@H]1C 384952895 GKISEGFJLFYGOB-FGTMMUONSA-N 283.500 4.643 30 10 CJEE CCc1cccc(N=C2N[C@H](C3CCCCC3)CS2)c1 385946198 BYNKPNKYYXDSPR-INIZCTEOSA-N 288.460 4.522 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 393744138 KDDWDYQNVJCLSZ-AAEUAGOBSA-N 287.325 4.591 30 10 CJEE C=CC[C@H](CC)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 393813838 TYLDJFRDYPNPEV-OQIJWPOYSA-N 271.448 4.903 30 10 CJEE C=C(C)CCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCC 403363074 FKNFRHBJWXZZPO-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2ccco2)cc1F 470527258 HAGAVTMJWJZPRT-LBPRGKRZSA-N 287.334 4.627 30 10 CJEE C#CCCCCC[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 686676301 DBIFDRWMBPGSOO-XDNAFOTISA-N 262.437 4.538 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]12CCC[C@H]1OCC2 687358430 WVWNQKHGFJGXSA-RCCFBDPRSA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(C(C)C)c1 688972797 MIEHHAKCPGWBHU-KRWDZBQOSA-N 262.441 4.675 30 10 CJEE C[C@@H](Cc1cccs1)Nc1ccc(C(C)(C)C#N)cc1 690034305 YLBSGSLNCQNPJQ-ZDUSSCGKSA-N 284.428 4.592 30 10 CJEE CCc1cc(NC[C@H](C#N)C2CCCCC2)ccc1F 690129362 ZZZCIDXBEZOQIL-HNNXBMFYSA-N 274.383 4.520 30 10 CJEE CC(C)(C#N)CCCC[C@H](C(=O)O)c1ccccc1Cl 691775555 IRISQXKMFMXEPG-ZDUSSCGKSA-N 293.794 4.618 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H](CC)CC(F)(F)F 692221582 RNFCOWMSOBVKLW-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE O=CC1(CCOCC2CCCC2)CCCCCCC1 693057374 VAQAEXIBZWVPLR-UHFFFAOYSA-N 266.425 4.513 30 10 CJEE CCC(=CC(=O)CC(C)(C)CC(F)(F)F)CC 694125644 DWWZLIMZDRQJBR-UHFFFAOYSA-N 250.304 4.671 30 10 CJEE C=C(COCC)[C@@H](NCCC)c1cc2cscc2s1 694399436 PGPTWZJTZKVPEA-OAHLLOKOSA-N 295.473 4.596 30 10 CJEE Cc1cccnc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 701358206 LHRUDTBITNQNMY-RBSFLKMASA-N 288.460 4.837 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 702283467 ZDJWOOSSEYUKID-WMLDXEAASA-N 257.421 4.509 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](N)C1CCC1 702308136 BXEBLTJYBUDHOB-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CCCCCCCNc1cc(C)c2ccccc2n1 703714702 RMCSOEVZVWIVQV-UHFFFAOYSA-N 256.393 4.926 30 10 CJEE C=CCCC(C)(C)CNc1nccc2ccccc12 703945152 PGBYZXIGLDTUOS-UHFFFAOYSA-N 254.377 4.639 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc2cc(C)ccc2o1 710639724 VNKJTGCPPAAZJF-ZDUSSCGKSA-N 263.768 4.534 30 10 CJEE CCCCCCCCC(=O)[C@H](C)[C@H]1CCCCO1 711842068 DQPFKUMWICSKKP-GOEBONIOSA-N 254.414 4.511 30 10 CJEE C=CCCCCCN1Cc2cccc(Br)c2C1 713268995 IKMYEOGYLSNIMG-UHFFFAOYSA-N 294.236 4.511 30 10 CJEE CC(C)C(C)(C)CSc1c(C#N)cnc2ccccc12 718785080 XGWYSIMBMJNFFO-UHFFFAOYSA-N 284.428 4.881 30 10 CJEE C=CC(C)(C)CO[C@@H]1CCCCC(C)(C)[C@H]1NCCC 719287785 KDZJNIRLRYLOEV-CVEARBPZSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@H]2COCC[C@@H]2C1 723608246 ORILWWIPXPGGEQ-FGTMMUONSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC(=O)C1C[C@@H](C)O[C@H](C)C1 724274617 GJVYSZPXHDNWFY-HUUCEWRRSA-N 268.441 4.900 30 10 CJEE CCCCCCCCC1(CNCC)C[C@H](C)O[C@@H](C)C1 724297962 VHOBKSAICOTEFX-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C1CCC(CSc2cc(Cl)ccc2N)CC1 724556948 QKDCXIWWDDJGEK-UHFFFAOYSA-N 267.825 4.761 30 10 CJEE C=C1CCC(CNCc2cc3cscc3s2)CC1 724566357 MIYWXACJQIHAGH-UHFFFAOYSA-N 277.458 4.799 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(CC)CC)CC1 724576128 UFRBZOXILDQTAO-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(CC(=O)c2ccc3ccncc3c2)CC1 724607789 HWTZCJKGQMGYDY-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccccc1C1CC1 821997543 VIASBAVTIYAYQY-QFBILLFUSA-N 269.432 4.789 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 1127370548 NGGCRHJWNZITCK-LJQANCHMSA-N 299.458 4.604 30 10 CJEE C=C[C@@H](OC(=O)CCC1CCCCC1)c1ccccc1 1130934619 RHVJQLJYDPQVTE-QGZVFWFLSA-N 272.388 4.817 30 10 CJEE C#CCCCCCCN1c2ccccc2S[C@@H](C)[C@@H]1C 1167810349 CKTCUULYYHIOJF-HOTGVXAUSA-N 287.472 4.959 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)CC2CC=CC2)c1 1168097317 UQZGPFNLMRNVSQ-UHFFFAOYSA-N 287.406 4.641 30 10 CJEE C=C(C)[C@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 1180953651 RKTUGVBXTBEAJQ-IQFXKTMKSA-N 291.385 4.606 30 10 CJEE C=C(C)CN(CC(C)C)c1ccc(C(F)(F)F)cc1 1307771483 DLWPBUQHYPXPAX-UHFFFAOYSA-N 271.326 4.744 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 1349333687 XKRUYZGZSHIKGG-SFHVURJKSA-N 279.383 4.602 30 10 CJEE C=CCC(CC=C)C(=O)NC1(c2cccc(C)c2)CCCC1 1352463377 BPLXWOHZGBFVDP-UHFFFAOYSA-N 297.442 4.649 30 10 CJEE C=C(C)CCC(=O)N(Cc1cccs1)c1ccc(C)cc1 1354399419 BQRDCQIAWZACJQ-UHFFFAOYSA-N 299.439 4.946 30 10 CJEE C=CCC(CC=C)C(=O)N(CCC(C)C)C1CCCC1 1355628413 QPHNJLBNOHYRSQ-UHFFFAOYSA-N 277.452 4.572 30 10 CJEE C=CCN(Cc1cccs1)C(=O)C=C(CCC)CCC 1355648681 LRKZLSTXMSNIHS-UHFFFAOYSA-N 291.460 4.789 30 10 CJEE C=CCC(C)(C)C(=O)Oc1ccc(Cc2ccccc2)cc1 1434999729 YUXHGHWJPAOMNB-UHFFFAOYSA-N 294.394 4.785 30 10 CJEE C=CCCCCCCNC(=O)C1(CC(C)C)CCCC1 1436188808 ASEKRGHAYRPUFI-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(SC)c1 1460910732 FMXSDPYMXSHYHY-JTQLQIEISA-N 283.824 4.603 30 10 CJEE C=CCN(CCc1ccccc1)CC(C(C)C)C(C)C 1461984315 YAIKVQCQJSINDE-UHFFFAOYSA-N 273.464 4.645 30 10 CJEE C=CCCC1(CNC/C=C\c2ccc(F)cc2)CCCC1 1474208897 UOTQRTMTGJHNEQ-SREVYHEPSA-N 287.422 4.955 30 10 CJEE C=CCN(C/C=C\c1cccc(F)c1)Cc1ccccc1F 1474366668 XRTYNKQPKHOEHP-VURMDHGXSA-N 299.364 4.666 30 10 CJEE C=C1CCC(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)CC1 1516448727 MXNHGJZWSAEFMT-GOSISDBHSA-N 299.458 4.945 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)c(C)cc1Cl 1519653172 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2259139351 TUOVDMRNONNHSY-UONOGXRCSA-N 290.538 4.517 30 10 CJEE C=C(C)CCCCC(=O)c1cc2c(s1)CCCC2 2259236990 JFUXUBHTWMJWCP-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE C=C(C)CCCCC1(C(=O)O)CCC(C)(C)CC1 2259246026 YXWCEQOADMATBV-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE C=CCCCCCN[C@H]1CC(C)(C)CCC1(C)C 2261440101 ZKHQILNRQJBNKM-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C#CCCNCC(C)(C)C 2264366521 JDHRLAQQFMPNKV-UHFFFAOYSA-N 298.257 4.679 30 10 CJEE O=C[C@]1(CC[C@H]2CCCCC23CC3)C[C@H]2CC[C@H]1C2 2264935361 PPGISICJLSAKQP-DFGXFYAUSA-N 260.421 4.742 30 10 CJEE CC(C)c1ccc(Oc2c(F)cccc2C#N)cc1 2265699528 YDYNQEZTDFVNCO-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)c1ccccc1Cl 2268750596 NHZFXJLGADXTNE-KRWDZBQOSA-N 275.823 4.510 30 10 CJEE Cc1sc(C(=O)CC=CC#CC(C)(C)C)c(C)c1C 2268758719 JBMSWLHFZPISOG-UHFFFAOYSA-N 274.429 4.852 30 10 CJEE CC(C)(C)C#CC=CCNCCCC1CCCCC1 2268833523 HUPGUHBHDMLHCK-UHFFFAOYSA-N 261.453 4.542 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1C2 2271748076 RACJDVBGLLDTLM-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCN(C)CC(F)(F)C1CCCCC1 2271751308 WBLHIMUDTFXSFZ-UHFFFAOYSA-N 273.411 4.880 30 10 CJEE N#Cc1cc(Cl)cc(OC[C@@]23CCCC[C@H]2CC3)c1 2273409374 DQUHOUMZDILHRD-BBRMVZONSA-N 275.779 4.561 30 10 CJEE CCCCCCC[C@](C)(CC[C@@H]1C[C@H]1C)OCCN 2276055610 NOVBGEWXADOAJX-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](CC1CCC1)OCCN 2276222271 QAPKVHLSAJFSBG-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC1(OCCN)CC(C(C)C)C1 2276604710 GGORJNSGZJIJKJ-UHFFFAOYSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](CCC)(OCCCN)C(F)F 2276736214 AYMJCJXPJBGASH-HNNXBMFYSA-N 279.415 4.516 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC(C)(C)C1 2276761678 MHPSXURERMNRAZ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CN(CCCCCCCS)C1C[C@@H]2CCCC[C@H]2C1 2277506877 JXUULUQUBVQULW-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE C=CC1(Nc2ccc3cccc(Cl)c3n2)CCCC1 2277663441 LODKNKLFZDJVMT-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE O=C(C1=CCCCC1)c1ccc2cccc(Cl)c2n1 2277674903 NMZXZKUYMYEUPI-UHFFFAOYSA-N 271.747 4.571 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1c(F)cccc1C#N 2280472808 PYKKSXWMDMYWAN-XNRPHZJLSA-N 274.383 4.570 30 10 CJEE CC#CCCCC[C@@H](C[C@H]1CCCC12CC2)NCCC 2281340899 WHXVUJHVHUKPQK-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CC(C)(C)C(N[C@@H](CC#N)c1ccccc1)C(C)(C)C 2281661493 XIFOATOXPDCEKI-HNNXBMFYSA-N 272.436 4.692 30 10 CJEE CCc1ccsc1CNc1ccc(C(C)(C)C#N)cc1 2283054662 YKTQSYWFIGJHAB-UHFFFAOYSA-N 284.428 4.724 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc(F)ccc1Cl 2283347533 VSUAPASFGYISMC-GOEBONIOSA-N 295.785 4.623 30 10 CJEE C=CC(C)(C)CCN[C@H](CCC)c1ccc(OC)cc1 2283581395 YRWOFWTWQLLLQS-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE CC[C@](C#N)(CCCSC[C@@H]1CC[C@@H](C)C1)NC(C)C 2284037825 HHJSRJJKIOSJIR-BRWVUGGUSA-N 296.524 4.606 30 10 CJEE Cc1cc(C(F)(F)F)cc(CC=CC#CC(C)(C)C)n1 2284109934 PFVSISGULBQMBV-UHFFFAOYSA-N 281.321 4.557 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CCC1CCCC1 2284162869 SKDXTHGJJPPANF-GOSISDBHSA-N 275.480 4.931 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CC1CC(C)C1 2284176876 OTBGQGUQPWPTIP-DAWZGUTISA-N 275.480 4.787 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)CC=CC#CC(C)(C)C 2284183978 ZORVUYVQZGOLBY-MSOLQXFVSA-N 275.480 4.596 30 10 CJEE CCCCCCCC[C@H](O)c1ccn(CCCCC)n1 2285118418 ZWLJIUFLSJJGOQ-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE C=CCCCCCCCS[C@H]1Cc2ccccc2[C@H]1N 2287184002 IEWBRELQXDUHJU-ZWKOTPCHSA-N 289.488 4.871 30 10 CJEE CN(C[C@@]12CCCC[C@H]1CC2)c1ccc(Cl)cc1C#N 2289089599 UACGIVNFPKRIOV-YOEHRIQHSA-N 288.822 4.618 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1sc(C)c(C)c1C 2289855447 SFJLUABCMUVTNY-QGZVFWFLSA-N 289.488 4.908 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1(C)CCCCCCC1 2289871520 YCHMOGNKFAAOBK-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C(C(C)C)C(C)C 2289876107 UOCRKFFWXKKTTI-GOSISDBHSA-N 277.496 4.867 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CC[C@H](CC)C1 2289900952 JWFAKDKKXPABAV-HKUYNNGSSA-N 275.480 4.766 30 10 CJEE C=CCCCCC[C@H](N)Cc1cccc(C(C)(C)C)c1 2290287230 DLGSGXOSXWSWHX-SFHVURJKSA-N 273.464 4.990 30 10 CJEE CCCCCCCCC[C@@](CC)(OCC(=O)O)C(F)F 2291708281 PGSRONNDDYGAST-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)C[C@@H](C)[C@H]1C 2292648742 AVPWCGPQJIDHMQ-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CC[C@@H](CC)C1 2292719844 BQQLCDUEEYBFLE-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@](C)(OCCN)C1CCCCC1 2292804947 OWBBGNSHKHQCJO-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CC(C)(C)CC[C@@H]1C 2293292185 NLWVWLHOLIQRCM-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC2(CCC2)C1 2293991098 GQMBTIHAROGNMZ-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCCCCC[C@H](O)C(F)(F)CNC 2295348451 PCWSZMKLNFNTAD-HNNXBMFYSA-N 293.442 4.513 30 10 CJEE C=CCCC[C@@H](NC)[C@@](C)(O)CCCCCCCCC 2295681240 FNDINLHBICMJHV-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1cc(Cl)cc(Cl)c1 2298824750 SCZAFFRJTJPHPJ-RNCFNFMXSA-N 290.259 4.691 30 10 CJEE CC[C@@H](CS)COC[C@@H]1C[C@H]1C1CCCCCC1 2311649983 WWBNDLKSAKCEDT-KBMXLJTQSA-N 270.482 4.566 30 10 CJEE C=CCCCCCC[C@@H](CC[C@@H]1C[C@H]1C)NCC 2312083790 IALDHMGWVDLDIW-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C[C@H]1C[C@](C=O)(CCCC2=CCCCC2)CCS1 2318582485 DFPSVWJISXJLCV-HOCLYGCPSA-N 266.450 4.758 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COCC1(CS)CCCC1 2320148423 GALYPSRCYNGHIN-KGLIPLIRSA-N 270.482 4.566 30 10 CJEE C=CCCCCCCC[C@](O)(CC1CC1)C1CC1 2320625344 SMCWEBGPVPJWFV-KRWDZBQOSA-N 250.426 4.844 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1CC(C(C)(C)C)C1 2321107088 DBKXQIVUPPKYSL-OCUYMYNFSA-N 251.458 4.769 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1c(Cl)ccc(Cl)c1F 2321108753 SKPWYKCGGVBLNY-CYBMUJFWSA-N 290.209 4.995 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(CSC)cc1 2321118974 WWJWYEJWVGYNMA-JKSUJKDBSA-N 263.450 4.542 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CCC1(C(F)(F)F)CC1 2321553295 VARKKILTFHFCOJ-VXGBXAGGSA-N 262.315 4.505 30 10 CJEE CCCCCCC[C@H](N)C12CC(CC(C)C)(C1)C2 2321595757 RDCSAFICOWEJPV-GTPINHCMSA-N 251.458 4.891 30 10 CJEE Cc1ccc(C)c(OC[C@@](C)(CS)C(C)(C)C)c1 2327100178 ORFUUCSXPWUNGT-INIZCTEOSA-N 266.450 4.664 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2333365162 DYDUDNGFMOAGBD-QAETUUGQSA-N 267.432 4.629 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1c(F)ccc(C)c1Cl 2335581997 PLMKBQUOFKDJIQ-GJZGRUSLSA-N 283.774 4.541 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1CCN 2335603321 POIKXVXGACXUND-UHFFFAOYSA-N 295.879 4.763 30 10 CJEE C=CCC(CC=C)[C@H](N)c1c(C)oc2ccccc12 2338741289 MMINFOBJQILNEN-KRWDZBQOSA-N 255.361 4.509 30 10 CJEE CCC[C@@H](OC[C@H](CS)CC1CC1)c1ccccc1 2340545545 IMLYYFBWNMAOHZ-NVXWUHKLSA-N 278.461 4.891 30 10 CJEE C#C[C@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341123220 YZRVVANKOYBWAC-BLLLJJGKSA-N 298.257 4.564 30 10 CJEE C#CCN(CCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341126616 JJTYBVCMOQAOMZ-UHFFFAOYSA-N 298.257 4.660 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C=O)CCCC(F)(F)C2)CC1 2343464018 GHKUCZDZVLEVAB-HUUCEWRRSA-N 270.363 4.908 30 10 CJEE CCCCCCC[C@@H](NCC)C1(C(C)(C)OC)CC1 2343524943 LTHWBGSHXOQXQJ-OAHLLOKOSA-N 269.473 4.530 30 10 CJEE C=C(C)CN(Cc1cccc(C2CCC2)c1)C(C)C 2343733729 GLSDNKHGOCPULU-UHFFFAOYSA-N 257.421 4.741 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2cccc(C(C)C)c2)CC1 2343798431 MUDJYVPWIJJNMF-KRWDZBQOSA-N 256.389 4.668 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC#CCCCC)NCCC 2344344956 UQZGDYGFGFYVAI-ZWKOTPCHSA-N 263.469 4.931 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cccc(C2CCCC2)c1 2344346105 PZXQRMAYOABREE-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344370115 YFNPNOIZFUIAMH-DISONHOPSA-N 263.469 4.913 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(F)cc(O)cc1Cl 2351681402 HCSXVMPTZBWJBP-CQSZACIVSA-N 285.790 4.711 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)NCCC 2355319012 MFPFOMQVYXSWKS-UVPYHEFZSA-N 285.422 4.638 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@H]1CO2)NC 2359077241 PBPDGZSWRDPPNV-XMTFNYHQSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccccc1F 2360335355 AAAODKXHXVMPBC-KRWDZBQOSA-N 293.451 4.730 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@H](C)CC1CCC1 2360338197 UIHBFQUWVOLSRX-BPQIPLTHSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc2c(c1)CCC2 2360377176 IPTXMUHYURUYSB-UHFFFAOYSA-N 286.440 4.612 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C)c1ccc(Cl)s1 42590673 NWMGRSCEZVJQJT-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE N#C[C@@H](C(=O)c1csc2ccccc12)c1ccc(F)cc1 42891348 DMRDSRIDRKFFRK-CQSZACIVSA-N 295.338 4.530 30 10 CJEE CCCNc1nc(-c2ccc(C(C)C)cc2)ccc1C#N 49875857 FYIBBHXXPUNHMW-UHFFFAOYSA-N 279.387 4.566 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2cccc(F)c2)cc1 57744052 LGPCLHFWOMJKLW-QGZVFWFLSA-N 267.347 4.799 30 10 CJEE Cc1cc(C)c(/C=N/c2sc3c(c2C#N)CCC3)c(C)c1 59459873 COZYPHYHJGKORY-KEBDBYFISA-N 294.423 4.784 30 10 CJEE CCCC[C@H](CC)COc1cc(C#N)c2ccccc2n1 68796607 IEUFQPKJLYSVNR-AWEZNQCLSA-N 282.387 4.702 30 10 CJEE CSc1ccc(Oc2cccc(Cl)c2C#N)cc1 70160245 TYCKKRKEBLGHEE-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE C[C@@H](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)(C)C 70270409 NJYFPNZOZLJVAZ-NSHDSACASA-N 292.810 4.613 30 10 CJEE CCc1sc(-c2ccc(C)c(Cl)c2)cc1C#N 77096794 JXMUODBUUYOLJT-UHFFFAOYSA-N 261.777 4.811 30 10 CJEE CCN[C@H](C)c1ccc(SCC#Cc2ccccc2)cc1 79581742 XOTTWHCCFGTDJX-MRXNPFEDSA-N 295.451 4.501 30 10 CJEE N#CCC(=O)c1cn(C2CCCC2)c2cccc(Cl)c12 84861411 QUIAXPUXOBGPDC-UHFFFAOYSA-N 286.762 4.506 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(NCc2cccs2)CC1 86959708 CXLLMROBXJDCIJ-RHSMWYFYSA-N 290.476 4.726 30 10 CJEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)sc1C 87567351 ZVDZQWGRDHNHJI-ZDUSSCGKSA-N 289.787 4.508 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCCC(C)(C)C#N)c1 87596058 SFQGMHBOBSZPMN-UHFFFAOYSA-N 259.393 4.611 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)CCCCCCS 94579696 XFLDMDIOSPKREH-ZDUSSCGKSA-N 285.884 4.823 30 10 CJEE Cc1cc(C)c(OC[C@H](CS)c2ccccc2)c(C)c1 94585560 JFSJMQUREAURIM-QGZVFWFLSA-N 286.440 4.704 30 10 CJEE Cc1ccc(F)c(OCC2(CS)CCCCCC2)c1 94585964 YFLNWBILUGAGCI-UHFFFAOYSA-N 282.424 4.783 30 10 CJEE CC(C)CCN(CCCCCCS)C1CCCC1 94853855 VSFHDZTWIIEQLY-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE CCCCCCCn1cc(C#N)c2ccc(C)cc21 107046270 BVUPYJCLNHYIGW-UHFFFAOYSA-N 254.377 4.792 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579390 VHRAVCCBWOXNSX-UIAACRFSSA-N 296.410 4.937 30 10 CJEE CCCCCCCCCCCCn1ccnc1CNC 109692236 WRQXLGRRXASIEZ-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCC[C@H](O)c1ccc(F)c(Cl)c1 109715718 ISPXJMPAMSIKST-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE C=CC[C@H](NCCC)C(CC)(CC)c1ccccc1 109748197 BVNTVBNTBKJAMF-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CN2CCC1CC2 110159383 SXNMHEQZWVKAFI-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCCCOc1ccc2c(c1)OC[C@@H]2O 110369897 KXWZDQXIFHMZKR-KRWDZBQOSA-N 292.419 4.632 30 10 CJEE CCCCCCC[C@H](CCc1ccccc1)NCC 111235687 CXPHYVMSRIAOMB-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CCCCCCCCCCN(CCN)C1CCCCC1 111380380 AKWULSSQPNGGKX-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1 114874698 PPHOCNQQEYMTTJ-IHRRRGAJSA-N 250.382 4.797 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1ccccc1F 118661989 PZBWUEMSYNMDHA-CQSZACIVSA-N 266.356 4.745 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@H](C)C[C@H]2C 122438341 UKNRTHJLZMXLCF-ZIAGYGMSSA-N 262.441 4.999 30 10 CJEE CCCCCCCCO[C@H]1CCCC(C)(C)[C@H]1NC 122994994 JJDKKLDHNHYXEI-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 125725547 GYDDLLLEBIZLRF-JSGCOSHPSA-N 276.811 4.982 30 10 CJEE Cc1cccc(C)c1COc1c(C#N)oc2ccccc12 126048723 DAAQHDZPCCVXBL-UHFFFAOYSA-N 277.323 4.500 30 10 CJEE CCCCc1ccc(OCc2ccc(C#N)cc2F)cc1 126287193 MAMPBBDMEPCQCA-UHFFFAOYSA-N 283.346 4.619 30 10 CJEE C#CC[C@H](CC)N[C@@H](C)c1sc2ccccc2c1C 129831139 GXXZOSFDXYFLOZ-KBPBESRZSA-N 271.429 4.662 30 10 CJEE CCC1CCC(C#N)(C2(O)CCC3(CCCC3)CC2)CC1 130474274 BJFFWYGCABQKKF-UHFFFAOYSA-N 289.463 4.962 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H](CCC)OCC 130859754 VTSIJKHYQOAOLM-IRXDYDNUSA-N 286.504 4.554 30 10 CJEE CCCCCCCCn1nc(CC)c([C@@H](O)CC)c1CC 131269994 CGZMDYAKNIKRES-KRWDZBQOSA-N 294.483 4.812 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ccnc(C)n1 132436096 QGSYFGFFCJWKFE-KRWDZBQOSA-N 291.483 4.966 30 10 CJEE C#CCCC[C@@H](CSc1ccc(Cl)cc1)NCCC 134081946 ZCAZYBWAPYYDFH-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1CCCc2sccc21 135357130 DWALNGNOQLZNJG-DZGCQCFKSA-N 266.450 4.889 30 10 CJEE CCCCCCCCCCCCOCCCN(C)C 137005574 YSDUGLYCPUABPF-UHFFFAOYSA-N 271.489 4.876 30 10 CJEE CCCCCCCCCOc1cc(Cl)ccc1CN 148821028 FQGSNLVQMMFNSG-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(F)c(F)c2)CC1 149823326 IOQZYIFKTPYIBH-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)c(Cl)c1 155859208 LGHVWJTWOXQFBM-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CSc2ccccc21 158908755 WSMLSTDDZFZUDV-KBXCAEBGSA-N 289.488 4.846 30 10 CJEE CCCCCC[C@H](O)C1(C#N)CCCCCCC1 158990533 PHYDWXFYISZCBS-HNNXBMFYSA-N 251.414 4.572 30 10 CJEE C=CCCC[C@@H](NCCC)c1cnc2ccsc2c1 163605382 WPBKAYYFLAVELQ-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CCCc1c(-c2cccc(F)c2Cl)sc(C#N)c1N 165487726 PHVCHTCFAAQQAZ-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C)c(Cl)c1 167765111 BSQXFHWUJIIMPU-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE O=C(Cc1cccc(Cl)c1Cl)C1=CCCCCC1 228852795 VVRQEIYNALBUBN-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Br)c(F)cc1C 232097229 AYLFAPNGPNTAKV-SNVBAGLBSA-N 286.188 4.663 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1ccccc1Cl 233282976 MREXSHSKFIIKAC-MFKMUULPSA-N 253.798 4.760 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1ccc(C#N)cc1Cl 233871864 VSBSGSPQHNXKJI-HNNXBMFYSA-N 284.790 4.645 30 10 CJEE C=CCCCCC[C@@H](CSc1cccc(F)c1)NC 234425001 ICSKJWFLPGMLDP-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 252822384 AOKNMGYRJLBVNQ-OTWHNJEPSA-N 277.496 4.724 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NC 252902924 NNTWLMNTIZROCK-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE O=C(/C=C\c1ncc(-c2ccccc2)s1)c1cccs1 255394203 SLFGAGXLBMEHOC-HJWRWDBZSA-N 297.404 4.768 30 10 CJEE CC(C)(C#N)CCNc1ccc(OCc2ccccc2)cc1 309659808 LLPDUORKLBJQQD-UHFFFAOYSA-N 294.398 4.617 30 10 CJEE CCCC1CCC(C#N)([C@H]2CCC[C@H](OC)C2)CC1 311375919 LECWSMWZXXFVPU-YZUHTNEWSA-N 263.425 4.692 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CC[C@](C)(CC#N)O2)cc1 311462965 WFTBTVUVIIOVPU-DOTOQJQBSA-N 257.377 4.508 30 10 CJEE C=CCCCCCCNc1ccc([N+](=O)[O-])cc1Cl 312043981 XWZVDFLCSDVXCM-UHFFFAOYSA-N 282.771 4.797 30 10 CJEE CC(C)c1ccc([C@@]2(C)CC[C@](C)(CC#N)O2)cc1 312119865 UIDRRVUETDIRAP-IAGOWNOFSA-N 257.377 4.508 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CCSc1ccccc1 317433770 PVUZFRKXPAQOKI-GDBMZVCRSA-N 262.418 4.564 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1 317785472 DEYLXEXIKWPLQP-WBVHZDCISA-N 251.458 4.927 30 10 CJEE N#C[C@H](CNc1ccsc1Cl)C1CCCCC1 397211237 WZMYJLNXUKDEHD-LLVKDONJSA-N 268.813 4.533 30 10 CJEE CCCc1ccc([C@H](C)NCC2CCC(C#N)CC2)cc1 442861858 YYQKKTVDLFZOGO-ZLPCBKJTSA-N 284.447 4.620 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccccc1C(C)C 664443271 DYGGWCJJFBPVHU-GASCZTMLSA-N 284.403 4.525 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc2ccccc12 664444409 LEIBIZSDUKNLJF-IYBDPMFKSA-N 292.382 4.555 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 686672913 NVJFLRNDFJKDFX-AWEZNQCLSA-N 271.187 4.611 30 10 CJEE O=C1C=C(CC2(c3ccccc3)CCCC2)CCC1 686732170 SOONWTUZEHQKCJ-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(SC)c1 686948992 PFZZDBPCIJIOCK-DOTOQJQBSA-N 275.461 4.633 30 10 CJEE CCCC[C@](CC)(C[C@H](C#N)C1CCCCC1)C(=O)O 691688529 LTVIIPDQOMNWFV-NVXWUHKLSA-N 279.424 4.768 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCC12CCCC2 694270994 OSWHAVFZISCULT-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE C=C[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695095302 OTLDBQRGKKJRME-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CC1(N)CC1 696919677 IPIQFSAIPTZQSQ-MRXNPFEDSA-N 269.473 4.540 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCOC1(C)C 703055666 DEIPMCRAXRTICF-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@]1(CNCCOC)C[C@@H]1C 703379137 YCGQPSOIMRBOBA-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1COC[C@@H]1C 705220782 ZHSNFGDRAPTLMH-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE C=CC(C)(C)COC[C@H](NCCC)c1cccc(Cl)c1 709583943 QSSYBCOSJXSLBK-INIZCTEOSA-N 295.854 4.610 30 10 CJEE Cc1ccccc1CC1(C=O)CC(C)(C)CC(C)(C)C1 710860158 VATRWANCJVTDEI-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC3(CCC3)O2)C1 712398107 OPFZBEQKVJRVIG-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE CCCCCCCCCC[C@H](O)c1csnc1OC 712924460 WDVFYEGXKCBNNL-AWEZNQCLSA-N 285.453 4.716 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H](CN)C1 714090985 VBTXHBHEZVRFBV-KURKYZTESA-N 283.500 4.643 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C(CC)(CC)C(F)(F)F 715719365 JILJOBBQOGCOAL-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 715748781 KESKUKZGXJPCQR-RZVNPHJZSA-N 275.480 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(F)c2ccccc12 715749789 PRQORPQWHDDFDQ-ACJLOTCBSA-N 271.379 4.842 30 10 CJEE N#CC1(C[C@H]2CC[C@H](C(F)(F)F)O2)CCCCCCC1 721395432 FBZQZAKUGIOJIA-CHWSQXEVSA-N 289.341 4.741 30 10 CJEE C=C1CCC(CN[C@@H](c2cccs2)C2CC2)CC1 724440570 GINLZYWVTVLKGZ-MRXNPFEDSA-N 261.434 4.535 30 10 CJEE C=C1CCC(C[C@H](O)C2C3CC4CC(C3)CC2C4)CC1 724560409 WBEUTWCTQNLVIG-YXOSVLIBSA-N 274.448 4.556 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1SC 1128847280 HRXRMUXQTNKQNH-LBPRGKRZSA-N 278.417 4.615 30 10 CJEE C=C[C@H](OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccccc1 1130934545 PTCNRWBDFCUXJT-YESZJQIVSA-N 284.399 4.695 30 10 CJEE C=CCCN(C[C@H](C)C(C)(C)C)OCc1ccccc1 1169452014 OKZVIDQPOCDNEG-INIZCTEOSA-N 275.436 4.679 30 10 CJEE C=CCN(Cc1cc2cc(OC)ccc2o1)c1ccccc1 1205442841 RTZMVWKTZNANNJ-UHFFFAOYSA-N 293.366 4.634 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](C)c1ncccc1C 1207783430 GPFGFUGCYGOSAK-HZPDHXFCSA-N 260.425 4.566 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CC)C[C@H](C)CC)c1 1220334641 DFDGVSAANPDFHA-CQSZACIVSA-N 274.408 4.620 30 10 CJEE C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1234351468 KQAAPADMIUBFFC-HRCADAONSA-N 294.483 4.635 30 10 CJEE C=CCN(CCc1ccco1)C[C@@H]1CCCC(C)(C)C1 1308644004 XWIWRTVVLUWAQL-MRXNPFEDSA-N 275.436 4.527 30 10 CJEE C=CCCCNC(=O)Nc1ccc2oc3ccccc3c2c1 1309985003 JSOCGTLTYGQGIC-UHFFFAOYSA-N 294.354 4.674 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OC2CCCC2)cc1 1349871752 KYDALWJSMHBOOE-CQSZACIVSA-N 287.403 4.549 30 10 CJEE C=CCC1(C(=O)N(C)[C@H](C)c2ccccc2C)CCCC1 1438144719 YAMGIJHIJPFRCG-MRXNPFEDSA-N 285.431 4.651 30 10 CJEE C=C[C@@H](CC)CC(=O)NCC1CCC(C(C)(C)C)CC1 1457668574 RLUDAAAPTNHOSQ-FHERZECASA-N 279.468 4.557 30 10 CJEE C=CC[C@H](C)Sc1nc2cc(Br)ccc2o1 1459206363 BXMJRNBQWSOYDB-QMMMGPOBSA-N 298.205 4.647 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(C)c(F)c1)c1ccccc1 1459621781 QXTMPNPTGKIJMZ-QGZVFWFLSA-N 298.357 4.790 30 10 CJEE C=CCCCCCN[C@@H](CC)c1cc(F)ccc1F 1459846172 URRPJGNKUUPSIF-INIZCTEOSA-N 267.363 4.752 30 10 CJEE C=CCC1(NC(=O)C=C(CCC)CCC)CCCCC1 1460092483 FKRLRIQQXDURCI-UHFFFAOYSA-N 277.452 4.908 30 10 CJEE C=CCOc1cccc(CNc2ccc(C3CC3)cc2)c1 1461401267 OQRRPXIEZNJMSA-UHFFFAOYSA-N 279.383 4.741 30 10 CJEE C=CCCCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 1473190042 JTVIIYXPKOYTME-RHSMWYFYSA-N 261.384 4.565 30 10 CJEE C=CCCCCCN[C@@H](CC)c1ccc(F)cc1F 1473324031 XEPMKXNHQDKYLM-INIZCTEOSA-N 267.363 4.752 30 10 CJEE C=CC[C@H](OC(=O)C(C)C)c1ccc(Cl)c(Cl)c1 1519082121 NEHOJGLPHDOADJ-ZDUSSCGKSA-N 287.186 4.810 30 10 CJEE C=CCC1(C(=O)O[C@H](CC)c2ccccc2)CCCC1 1520876993 XSCFFCLRTHVNLL-MRXNPFEDSA-N 272.388 4.817 30 10 CJEE C=CC1(CC(=O)O[C@H]2CCC[C@H](C)C2)CCCCC1 1530481306 VMVKQDNBOVPCKD-GJZGRUSLSA-N 264.409 4.635 30 10 CJEE C=CCCCC(=O)O[C@@H](C)c1ccc2cc(OC)ccc2c1 1532557676 PZEMQBLNGUEIKD-AWEZNQCLSA-N 298.382 4.809 30 10 CJEE C=CCCCCCN(CC)Cc1cccc(Cl)c1 1559485760 SGYROEAFJNASMK-UHFFFAOYSA-N 265.828 4.908 30 10 CJEE C=CCCN1CCCCC[C@H]1Cc1ccccc1Cl 1559869804 FHSRNGKOLBXZAB-INIZCTEOSA-N 277.839 4.703 30 10 CJEE C#CCCCCCCN[C@@H]1CCCC12CCCCC2 1559995121 UGPGRJKEFBKERC-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccccc1Nc1ccccc1 1566700553 FCIVOFLZDPOEMZ-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CCCCCNc1c(C#N)cnc2c(Cl)cccc12 1612289456 LHVXHNGITDESHR-UHFFFAOYSA-N 285.778 4.528 30 10 CJEE C=CCCC[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 1625197806 YZLUCCGSPWJFFO-FUHWJXTLSA-N 283.415 4.557 30 10 CJEE C=C[C@@H](C(=O)N(CCCC)C1CCCCC1)c1ccccc1 1636594198 ZRQALLTVZXXXCX-LJQANCHMSA-N 299.458 4.918 30 10 CJEE C=CC(C)(C)CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 1652480813 HIEVODFVCFSBQN-ZDUSSCGKSA-N 299.380 4.828 30 10 CJEE C=C(CC)CN[C@@H](Cc1cccc(Cl)c1)CC(C)C 1652663498 CEKJRJPYZPNNJK-QGZVFWFLSA-N 279.855 4.853 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](C)c1ccc(F)cc1C 1653081316 FEFCNHIBQXIMBZ-GOEBONIOSA-N 263.400 4.920 30 10 CJEE C=CCCCCCN1CCc2c1cccc2C(F)(F)F 1653250321 HLMAEHUKPURGGR-UHFFFAOYSA-N 283.337 4.814 30 10 CJEE CCCCCCCCCCN1CCSC[C@H](C)C1 1654365332 WJQZQGQOTPTEAI-MRXNPFEDSA-N 271.514 4.812 30 10 CJEE C=CCCCNCc1ccc2oc3ccccc3c2c1 1656192942 DQWAEQYQXKYASV-UHFFFAOYSA-N 265.356 4.642 30 10 CJEE C=CCOc1cccc(CN[C@H](C)c2cc(C)ccc2C)c1 1657699949 QJBMZRRPZDDSMN-QGZVFWFLSA-N 295.426 4.719 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)s2)C1 1657926693 YNMVKGBJBPTJQO-MNOVXSKESA-N 289.366 4.601 30 10 CJEE C=CCCC1(CN[C@H]2CCC23CCCC3)CCCC1 1659649591 SUKRYZULGZKQLE-INIZCTEOSA-N 261.453 4.825 30 10 CJEE C=CCOc1ccc(CNC(CC(C)C)CC(C)C)cc1 1659760468 ZHYBVBSGRUYPRQ-UHFFFAOYSA-N 289.463 4.802 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC(C)(C)C(C)C 1671186835 HQLBLPLZIHAGIS-UHFFFAOYSA-N 288.435 4.609 30 10 CJEE C=CC(C)(C)CCNC(=O)N(C)C1CCC(CCC)CC1 1684146342 PTVKLNBYURXCMQ-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=NC(=O)c1cccc(Cl)c1)C2 1772718633 PFNYOUISAXYRQC-YVEFUNNKSA-N 289.806 4.767 30 10 CJEE CC#CCCC[C@]1(CNCCC)CCC[C@H](CC)C1 1879641720 RPZHLQRUHOVHKS-ROUUACIJSA-N 263.469 4.766 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(C)cc1C 1879654125 SQSFGHXSBFHYNT-SFHVURJKSA-N 257.421 4.538 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCc2occc21 1883329588 BXTDAASLVVHQHR-INIZCTEOSA-N 263.425 4.949 30 10 CJEE CC#CCCCC[C@@]1(O)CCCCC12CCCCC2 1885235720 IADJIUWRNURKKZ-GOSISDBHSA-N 262.437 4.826 30 10 CJEE C=C1CCC(C[C@](C)(O)C2CCC(F)(F)CC2)CC1 1886362120 WXKKBAVOHJFBPW-HNNXBMFYSA-N 272.379 4.699 30 10 CJEE C=C(c1ccccc1)[C@H](CC[C@@H]1C[C@H]1C)NCCC 1888682863 SBSPRXJVIXTDKY-OLMNPRSZSA-N 257.421 4.504 30 10 CJEE CCCCN(C1CCCC1)[C@@H]1CCCCC[C@H]1C#N 1888757444 XOECNQYREATFBE-DOTOQJQBSA-N 262.441 4.504 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@H]1C1CCCC1 1898933684 QYFKUOGMZALJFF-UXHICEINSA-N 283.459 4.891 30 10 CJEE C=CC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 1901119386 MAARZGZTBMBKFV-GFCCVEGCSA-N 258.192 4.529 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1ccc(Cl)c(Cl)c1C 1901120801 PQDFRXCNHZFGSO-ISVAXAHUSA-N 258.192 4.514 30 10 CJEE C=C(C(C)(C)C)[C@](O)(CC)c1cccc(Cl)c1 1919876971 PQPYOODVTKFSJG-OAHLLOKOSA-N 252.785 4.540 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@@H]1C[C@H](C)O[C@H](C)C1 1919901825 BJNNCNOURMRAJW-LTIDMASMSA-N 270.457 4.692 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1[C@H]2CCCC[C@H]21 1919912661 KZAKWMWYORFULP-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE C[C@H](CC(F)(F)F)C[C@@]1(C#N)CCCC12CCC2 1921610048 KSDDNXLHLVWCJC-WCQYABFASA-N 259.315 4.829 30 10 CJEE CC(C)(C#N)CCCCN(Cc1ccccc1)CC1CC1 1932003784 PERGQTGCPZISCG-UHFFFAOYSA-N 284.447 4.619 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(Cl)c(Cl)s1 1934798726 VSUHUJRNZQUOQF-SECBINFHSA-N 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CC(C)(CNc1cc(Cl)ccc1C#N)c1cccs1 126273308 HNVIRTWACSXKMQ-UHFFFAOYSA-N 290.819 4.663 30 10 CJEE CCCCCCCCC[C@@H](NN)c1c(F)cccc1F 127761302 DZESMLDZCUUVTO-OAHLLOKOSA-N 284.394 4.610 30 10 CJEE C#CC[C@@H](CC)N[C@@H](CC(C)(C)C)c1ccccc1 129763171 PXNOKPTVLTZGHD-SJORKVTESA-N 257.421 4.555 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)cc1Cl 130903472 URQNDLNLZMAKNH-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCC[C@@H](CCCOCC)NC 143425639 DVCQBPQLQXFFNN-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=C(CC)C[C@@H]1CC(C)(C)CC[C@H]1CNCCC 156287177 JRPJLNCCXIPNLG-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C=CCN(c1cc(C)c(F)cc1[C@@H](C)NCC)C(C)(C)C 162274162 CIDBIWLQEHLJFZ-CQSZACIVSA-N 292.442 4.596 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)CCCC(F)(F)F 163315280 PJFYDDBABKBTEH-VIFPVBQESA-N 288.288 4.539 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(CC#N)cc2)c2ccccc21 163726190 IGAZENLMXHWRPO-KUHUBIRLSA-N 276.383 4.803 30 10 CJEE CCCCCCCC[C@@H](N)c1cncc2ccccc12 165145259 LXXCRJIUQDKCMZ-GOSISDBHSA-N 270.420 4.985 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCC=C(C)C 190934255 OXWAVJYMTLDTPX-UHFFFAOYSA-N 286.419 4.626 30 10 CJEE Clc1ccc(/N=C2\CCCc3ccccc32)cc1 196124079 YRVANHQGRRJABV-FBMGVBCBSA-N 255.748 4.797 30 10 CJEE CCCCCCCCO[C@@H](CCC)CNC(C)C 211465016 WYXGTQOVNNFODC-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1c(F)cc(C#N)cc1F 221636378 SCZCPJKYIIWBMT-RBOXIYTFSA-N 293.357 4.676 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2C)C1 222883751 UHFWQAHKOUOWDT-INMHGKMJSA-N 273.445 4.947 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)cc2c1OCC2 228436010 VVUYZUTVKUTTOL-HNNXBMFYSA-N 282.811 4.669 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2nc3ccccc3s2)C1 228475307 HIGSSZNPYDSPQL-WBMJQRKESA-N 270.401 4.559 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)O)cc1C 232375619 DJFKMZAQTFPPEM-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE C=CCCCCC[C@H]1CC(C)(C)CC[C@H]1C(=O)O 232773202 SNMOPAOTKAIGOK-UONOGXRCSA-N 252.398 4.650 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](OCC)C(C)(C)C 233541400 MTWGTLDBGWXMSP-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE 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30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1C[C@H]1C1CC1 890165722 LLHIYVBKFPLVEP-WMZOPIPTSA-N 297.442 4.913 30 10 CJEE Cc1ccc(C=NNc2cc(Cl)ccc2Cl)cc1 1084158555 UVFZXSZABLXKJF-UHFFFAOYSA-N 279.170 4.748 30 10 CJEE C=CCC1(NC(=O)CCCC[C@@H](C)CC)CCCCC1 1129028001 AWZUPPIUYXZOCY-INIZCTEOSA-N 279.468 4.988 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCCCCCC1 1130904171 IFTUEZPEIDFOQE-DOTOQJQBSA-N 277.452 4.598 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)CC1CCCC1 1134515200 ONUKJJIYGJWKNI-IAGOWNOFSA-N 277.452 4.550 30 10 CJEE C#CCCCCCCN1CC[C@H](C)Sc2ccccc21 1167727729 FHVKVEVCDMRTBW-INIZCTEOSA-N 287.472 4.961 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C 1194410856 WPGGPAULJFJPML-WFASDCNBSA-N 251.801 4.591 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C2CC2)cc1 1202701346 AQLHDJSULFQVIT-QGZVFWFLSA-N 284.403 4.527 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cc2ccccn2)ccc1C 1205510151 VKQQDCXOOXCKKG-INIZCTEOSA-N 280.415 4.747 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H]2C2CCC2)c1 1210292971 VLMJZZZZIHRJBD-QGZVFWFLSA-N 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C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@H](C)C1)NCC 2321132525 ZJJSYFSOEMNTAJ-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1CCCC(F)(F)C1 2321226619 XXYCYNMCRPIVQS-IHRRRGAJSA-N 260.368 4.555 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1sc2ccccc2c1C 2321235358 WWVDYBOWBVJXPQ-HNNXBMFYSA-N 260.402 4.845 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1CF 2333365918 ZLKIKVQEWITTPX-GVDBMIGSSA-N 269.448 4.877 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@](C)(CC)C(F)F 2336609867 KDNSLHQNRLSYLQ-GOEBONIOSA-N 273.411 4.620 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCCCC12CCCC2 2337112875 FYSWTXDRKWBIGH-BRWVUGGUSA-N 261.453 4.824 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338739378 VKXJCWLTMDGCAZ-FJIDUMEYSA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)C1(CNCC(C)C)CCCCC1 2338739826 ZISDJFBIFIEHOU-UHFFFAOYSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cccc(C2CC2)c1 2338745906 AUUVFEDPGMYZIX-SFHVURJKSA-N 255.405 4.593 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCCC[C@@H]1C(F)(F)F)NC 2344347800 FKOWXKSYMPWZIJ-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCCC 2344348171 IEZRCHKNGIXMKU-WCXIOVBPSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2344411192 FVPPNPXOAOKBSZ-XFMPKHEZSA-N 270.363 4.619 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2355991371 WJTYWLUHLNKPAS-BEAPCOKYSA-N 282.374 4.619 30 10 CJEE CC/C(=N\O)c1ccc(OCc2cccc(Cl)c2)cc1 19232580 ZLBWHCDAYWCEKO-FBMGVBCBSA-N 289.762 4.507 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)c(F)c1 36886503 PLMQHKXDALHPOB-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE N#Cc1ccc(Oc2cccc3ccccc23)c(F)c1 36886861 HQPQESFFTARZRD-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE CC(C)CCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 36930410 DWIFLWKHJFEEND-SNVBAGLBSA-N 284.186 4.606 30 10 CJEE CCC[C@@H](Nc1cc(C#N)cc(F)c1C)c1ccccc1 37089109 QFDMCNIDSXQKTM-QGZVFWFLSA-N 282.362 4.959 30 10 CJEE N#Cc1cnc2ccccc2c1NC1CCCCCCC1 37413169 ISVNQHLTNSVLBI-UHFFFAOYSA-N 279.387 4.631 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCCCc2ccccc21 37937317 XAMDFKHWHOFVPQ-SFHVURJKSA-N 296.801 4.897 30 10 CJEE Cc1cccc(OCC[C@H](C#N)c2ccccc2F)c1C 57686620 LBEOSUASFRVMDL-OAHLLOKOSA-N 283.346 4.519 30 10 CJEE N#C[C@H](Cc1ccc(F)cc1)c1c(Cl)cccc1Cl 57734928 KJVWPKLNNOOHAJ-NSHDSACASA-N 294.156 4.982 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 68585111 FODHBGBWZSQMIU-GMXVVIOVSA-N 296.336 4.814 30 10 CJEE CC(C)(C)c1nc(-c2ccccc2Cl)sc1C#N 82439026 JMNFFSVVHLLNSH-UHFFFAOYSA-N 276.792 4.633 30 10 CJEE CCC1CCC(C#N)([C@]2(O)C[C@@H](C)CC(C)(C)C2)CC1 91875943 OYBWAHZFFPONJT-OBHHBEAMSA-N 277.452 4.674 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)c2ccc(C)c(C)c2)CC1 91878621 RDAQAMIQONHMFO-AVAKVYKDSA-N 285.431 4.621 30 10 CJEE CCCc1c(-c2c(F)cccc2Cl)sc(C#N)c1N 93074490 RLFIYLCCDDABJA-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CCC(CC)N(CC(C)C)c1cc(C)ccc1C#N 93325597 MMWKXNRUVYZXCB-UHFFFAOYSA-N 258.409 4.518 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)c1ccc(Cl)c(Cl)c1 93955803 DXIJTZBRLLMKSC-ZANVPECISA-N 254.160 4.575 30 10 CJEE Cc1cc(OC[C@H](CS)C(C)(C)C)ccc1Cl 94582249 ISTCAYDORYDUGV-LLVKDONJSA-N 272.841 4.619 30 10 CJEE CN(CCCCCCCCCS)CC(C)(C)C 97799412 OVLPUEPGVYTBNP-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE CCCCCCCC[C@](C)(CCC)CNCCOC 104010716 QJAHUCSEFBVTQI-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE CCCCCCCCCCCCN[C@H](C(=O)O)C(C)C 106506756 GWFLKPJINZSTEH-INIZCTEOSA-N 285.472 4.606 30 10 CJEE CCCCCCCCCN1CCC[C@@](CCC)(C(=O)O)C1 109204420 PCUVKXIHXUEZQB-GOSISDBHSA-N 297.483 4.704 30 10 CJEE CCCCCCCN[C@@H](C)c1c(F)cccc1F 109902252 QQKMNRUOOBKRFX-LBPRGKRZSA-N 255.352 4.586 30 10 CJEE CCCCCCC[C@@H](CN)Cc1ccc(Cl)cc1 110180834 NAPSDVAKNPTSED-OAHLLOKOSA-N 267.844 4.818 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2C)C1 110354951 UHFWQAHKOUOWDT-HLLBOEOZSA-N 273.445 4.947 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1CCOC1 114995656 SOXWPEFVPKXMED-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](O)CSc1ccccc1 115648266 OMQAMWVRBUYFAE-OAHLLOKOSA-N 266.450 4.890 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 115651882 TXGVPPCICJWVIK-CQSZACIVSA-N 298.810 4.505 30 10 CJEE CCCCCCCO[C@H]1C[C@H](NCC)C1(CC)CC 117340095 VFRMFPOPSYDWSU-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCC(=O)C1(N(CC)CC)CCCC1 118174976 LTHJWELMWNLSEO-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@@H](Cc1c(C)cccc1C)NN 124442340 PITOEYHSDCFNLS-SFHVURJKSA-N 290.495 4.819 30 10 CJEE CCCCCCC[C@H](NC)c1occc1Br 128317393 BEKBEIVNXPQZNV-LBPRGKRZSA-N 288.229 4.663 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1cc(C)cc(C)c1 133101499 GABKZUWEZICIJV-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCSc1cccc(Oc2cc(C)c(N)cc2C)c1C#N 137028831 DXLIFLGJLFIZOL-UHFFFAOYSA-N 298.411 4.662 30 10 CJEE CCCCCCCC[C@H](NC)c1ncc(C)cc1C 157727974 ZOHOJSKXOJXURZ-INIZCTEOSA-N 262.441 4.710 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](CCC)OC 158221764 KZAWNEBDNNGUQC-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C[C@H]1CCC[C@H](CCNCc2ccc(C#N)cc2Cl)C1 162725321 ICLPBWMLWWFZOB-UONOGXRCSA-N 290.838 4.518 30 10 CJEE C=C(C)CC[C@H](NCC)C1CCC(C(C)C)CC1 164620609 FMJZACDJOIGZIK-JCYILVPMSA-N 251.458 4.783 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)cc1 226665925 YMNXTDGKDQRFEI-AOIWGVFYSA-N 286.378 4.693 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H](C)O1 228815536 NTQPPKDAQVFOIN-FGTMMUONSA-N 298.515 4.697 30 10 CJEE CCCCCCCCCCOCCc1ccccc1N 229489193 MSQBYZJSSXPYSM-UHFFFAOYSA-N 277.452 4.969 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cc(F)cc(Cl)c1 230017034 AHIFXMPEVHJQGK-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=CCCCCC[C@@H](CSC(C)(C)C)NCC 233536562 MICYUNUYIJRLLV-AWEZNQCLSA-N 257.487 4.633 30 10 CJEE C[C@H]1OCC[C@H]1SCCCCCCCCCS 235641746 QZLGWQMRFKCZQI-ZIAGYGMSSA-N 276.511 4.558 30 10 CJEE Cc1ccc(SCC(=O)C2=CCCCCC2)cc1 235896109 GBWIKZGRDNSUAN-UHFFFAOYSA-N 260.402 4.547 30 10 CJEE Cc1cccc(N[C@@H]2CCCC(C)(C)CC2)c1C#N 235922747 HIVOOTWMCKRKNS-CQSZACIVSA-N 256.393 4.638 30 10 CJEE C[C@H](N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N)C(C)(C)C 251083157 WTDPRHSFNACXDS-CAOSSQGBSA-N 278.484 4.707 30 10 CJEE CC(C)c1ccc(O[C@H]2C[C@H](C)CC[C@H]2C#N)cc1 252159901 PSDBGMJSOKYLIY-KMFMINBZSA-N 257.377 4.517 30 10 CJEE N#CC1(c2cc(-c3ccc(F)cc3)ccc2F)CCC1 260349245 FHCNAKXDJKOJMR-UHFFFAOYSA-N 269.294 4.577 30 10 CJEE Cc1oc2cc(C3(C#N)CCCCC3)ccc2c1C 260753246 VWTLYUHSEYHPAT-UHFFFAOYSA-N 253.345 4.775 30 10 CJEE Cc1ccc(N2CC[C@H](C)c3ccccc32)c(C#N)c1 312955386 LSKBUIKJYAQXAB-AWEZNQCLSA-N 262.356 4.512 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCCC12CCCC2 313090435 MQXHHIOKNWYLAE-ULQDDVLXSA-N 274.452 4.551 30 10 CJEE CCCC1CCC(C=O)([C@@H]2C[C@@H]2c2ccccc2)CC1 316824561 KULAXQLFWYVNRN-KNCVXQGMSA-N 270.416 4.966 30 10 CJEE CCCCCCC[C@H](NCCC)c1csc(OC)n1 382523921 ULZDFVKETNXIBJ-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCCCNc1cccc(Br)c1N 384003237 HTAWNPDLKKSSJP-UHFFFAOYSA-N 299.256 4.804 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CC[C@@](C)(CC#N)O2)s1 386102605 KCDHQFYFLIQRFX-NHYWBVRUSA-N 263.406 4.569 30 10 CJEE CCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCC 389353731 ZKRQRDUONWXAJJ-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]2CCCC[C@@H]2O1 393518664 RMPCBVVKYGXQNW-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE N#C[C@H](CC1CCCCCC1)NC1CCCCCC1 394545122 WYEJDGWWQAXFNQ-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C)cc1Br 398117061 PPBLCYSKODBRSC-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE CCCCCCCC[C@@H](N)CCc1c(F)cccc1F 402207517 ZPXWXDTZKKYCLC-CQSZACIVSA-N 283.406 4.975 30 10 CJEE CCCCCCCCC[C@]1(C=O)C[C@@H](C)O[C@@H]1C 686428184 BZLYYSDNLGPAHB-BZUAXINKSA-N 254.414 4.510 30 10 CJEE CCCCCCCCC[C@H](N)c1cncc(OC)c1C 687650611 DTRRDXALIXYWPA-INIZCTEOSA-N 278.440 4.539 30 10 CJEE C=C(CC)C[C@H](NC)C1CC(C)(C)CC(C)(C)C1 688324041 YHEDMGRYAGPLHK-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCN(CCCCCCCCCS)C[C@H]1C[C@H]1C 698251404 LHBKFEVXJANZSK-HZPDHXFCSA-N 271.514 4.625 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1C[C@@H]1C1CC1 699154420 XRKJCDRREOOGCH-IKGGRYGDSA-N 252.442 4.924 30 10 CJEE CC(C)CCC[C@H](C#N)Nc1ccc(Br)cc1 703965014 WDNRRVVIWPRHNU-CQSZACIVSA-N 295.224 4.579 30 10 CJEE CCCCCCCCCCCCN1CCC(C)(N)CC1 704581598 QKMAKPMBEUNCGC-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE Cc1cc(C)nc(C2(C#N)CCC(C(C)(C)C)CC2)c1 707980173 KCJZECRYZKYUEA-UHFFFAOYSA-N 270.420 4.696 30 10 CJEE C=CCCC[C@H](N)c1c(Cl)cccc1C(F)(F)F 712538105 KQJZABRXFXFNLZ-NSHDSACASA-N 277.717 4.715 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(C)c1C 715707461 XLBKEEGHXUEGGZ-ABAIWWIYSA-N 251.439 4.618 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCCCC1(C)C 719209969 AVGZYLFNKHNNOI-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CSC1CCC(CNc2ccc(C#N)c(Cl)c2)CC1 720538753 DBZYWZBYRQQHDS-UHFFFAOYSA-N 294.851 4.545 30 10 CJEE CCCCCCCCCCNc1cnn(CCC)c1 722364782 KVOJJXCIZWMIKP-UHFFFAOYSA-N 265.445 4.846 30 10 CJEE C=CCN(c1ccc(Cl)cc1CNCCC)C(C)(C)C 723150394 YUPOCXUDROCUNH-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(CN[C@@H](C)Cc2ccc(Cl)cc2)CC1 724443317 PKLTXZZJHGJKNJ-AWEZNQCLSA-N 277.839 4.607 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1C[C@H](C)O[C@H](C)C1 724500695 YMFUOYUZSWJFMK-YVSFHVDLSA-N 269.473 4.658 30 10 CJEE C=C1CCC(CN[C@@H](C2CCCCC2)C2CC2)CC1 724566617 PMXRDDVUFTWSDW-SFHVURJKSA-N 261.453 4.681 30 10 CJEE C=CC[C@H]1N(C(=O)CC2(C)CCCCC2)CCCC1(C)C 1128470369 XLEQDVQKPLWGPL-MRXNPFEDSA-N 291.479 4.940 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(CCC)cc1 1128845096 QOOSSNVRPCMAOY-UHFFFAOYSA-N 273.420 4.505 30 10 CJEE C=CCC1(CNC(=O)c2cccc(C(C)C)c2)CCCC1 1128966419 VWBJXGSDONTHST-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C#CCN(CCCCCC)[C@H]1CCCc2ccccc21 1176454099 YVUUQZUXOCUQRB-IBGZPJMESA-N 269.432 4.580 30 10 CJEE C=CC1(CC(=O)Nc2c[nH]c3ccccc23)CCCCC1 1179051432 HPMHRXAFILTGFY-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE C=CCCCCSc1ncc(-c2ccc(F)cc2)[nH]1 1188446902 QZZDSUHLPROCGC-UHFFFAOYSA-N 276.380 4.664 30 10 CJEE C=CCCC[C@H](NCC1C[C@@H]2C[C@H]2C1)c1ccccc1 1197378342 XLNHYXQOERFIPI-QRVBRYPASA-N 269.432 4.720 30 10 CJEE C=C(C)COc1cccc(NC[C@H]2CCCC[C@H]2C)c1 1201186174 PFFCBSJTHYXBIR-HZPDHXFCSA-N 273.420 4.880 30 10 CJEE CC[C@H](NC1CCC(C)(C#N)CC1)c1ccc(C)c(F)c1 1205014845 BEUIKASNVIUQAC-NXYGQSRBSA-N 288.410 4.647 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1278999717 VYDFIJXOVKPBIY-FPCVCCKLSA-N 279.468 4.556 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 1292861499 WBLZLBUJIGJZOK-OALUTQOASA-N 299.458 4.506 30 10 CJEE C=CCCC1(CNCC2(OC)CCCCCC2)CCCC1 1308856971 FWAHJXKOXOGEPH-UHFFFAOYSA-N 293.495 4.842 30 10 CJEE C=CCCCCNC(=O)C1(c2ccccc2)CCCCCC1 1459359381 TYIKVPBUAVMDTC-UHFFFAOYSA-N 299.458 4.751 30 10 CJEE C=C(C)[C@H]1OCC[C@@H]1CNC1CCC(C(C)(C)CC)CC1 1461462554 PXGPLXPCAXRSBR-AQEOSJORSA-N 293.495 4.552 30 10 CJEE C=CCCCCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 1473626475 XSKGDZJOYNRLNF-QGZVFWFLSA-N 291.410 4.718 30 10 CJEE C=C1CCC(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 1520603943 SXMZNEJZEUQUGZ-RTBURBONSA-N 297.442 4.575 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cc(Cl)cc2ccccc12 1524815161 ICXBSMRXXGCIOC-AWEZNQCLSA-N 287.790 4.578 30 10 CJEE C=CCC(CC=C)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1528078476 OYEXBQOBVWOLRN-UHFFFAOYSA-N 291.479 4.818 30 10 CJEE C=CCC1(NC(=O)[C@H](C)CCCCCC)CCCC1 1528951629 UDIXDWQFEBIHKA-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 1535214402 QFLRDUSGJUYXNI-SFHVURJKSA-N 289.394 4.530 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H](C)CC1CCC1)c1ccccc1 1543439685 KMVQDZKJDILFCC-APWZRJJASA-N 299.458 4.821 30 10 CJEE C=CCCCN(CC)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 1558699010 VXBUZJFNDITQSN-UHFFFAOYSA-N 298.430 4.720 30 10 CJEE C#CCCOc1ccc(CNc2ccc(C3CC3)cc2)cc1 1560421603 OYDWPRCVPCLZSG-UHFFFAOYSA-N 291.394 4.578 30 10 CJEE C=CCCC1(CNCc2cccc(OCC)c2)CCCC1 1560532006 RPHDFVWJLKOZOL-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc(C(C)C)nc1)c1ccccc1 1611026677 WQACFPODUVYVHS-HNNXBMFYSA-N 294.398 4.503 30 10 CJEE CCCCCCCCCN(C)Cc1nc(C)cs1 1615240616 YSWUKTJOVUMBMV-UHFFFAOYSA-N 268.470 4.634 30 10 CJEE C=C(CC)CN1CC[C@H](c2cccc(Cl)c2)C1(C)C 1620553744 RPGCJYSJOTURRF-MRXNPFEDSA-N 277.839 4.874 30 10 CJEE C=CCSCCNCc1ccccc1-c1ccccc1C 1620897222 XDXYJHVSTSWDHY-UHFFFAOYSA-N 297.467 4.671 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2CCc3ccccc3CC2)C1 1621017254 MMAGDACRTMEHNZ-JXFKEZNVSA-N 283.459 4.516 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 1621425239 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CJEE N#C[C@H]1CCCCC[C@@H]1SCC1(C(F)(F)F)CCC1 2274554753 AKVVLXHXFCQWOR-NEPJUHHUSA-N 291.382 4.925 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C(C)=C(C)C 2276177885 CGAOWLSGFUFJSR-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1(C)CC(C)C1 2276602637 QBTKVYXOFSDZHG-AQFXKWCLSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@@H]1CCC 2276766012 AACRUHSPARHZLW-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C[C@@H]1CN(CCCCCCCS)[C@@H]1c1ccccc1 2277507895 QSPMURCSPCUVKT-WBVHZDCISA-N 277.477 4.560 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)COC(F)F 2278234158 KQHJCVXIIMFPHZ-KBPBESRZSA-N 279.415 4.733 30 10 CJEE CCCCCCS[C@H]1CCC[C@](C#N)(NCCC)C1 2278260802 MRGOTVFRNGBXQT-HOTGVXAUSA-N 282.497 4.504 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCSCC1=CCCCC1 2281268345 ZIQHPDSHYKZJCG-KRWDZBQOSA-N 294.508 4.671 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccccc2OC(F)F)C1 2282927235 NCYKWCBRUFMTEK-LRDDRELGSA-N 279.330 4.551 30 10 CJEE CC(C)(C)C#CC=CCN1CCC[C@H]1C1CCCCC1 2284130526 UNWZICFOTKZXNT-SFHVURJKSA-N 273.464 4.637 30 10 CJEE 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CJEE C=CC[C@@H](C)Sc1c(F)cc(CNC(C)C)cc1F 2335236866 AMQOQQCEUYHMPI-LLVKDONJSA-N 285.403 4.520 30 10 CJEE C=CCC(CC=C)[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338743946 KIRHVCNRDOODGH-WNRNVDISSA-N 262.437 4.722 30 10 CJEE C=C1C[C@H]1[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341880852 QZNXOGPSWKZFSB-MHORFTMASA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2341922464 KMVCVHMWRXWEHF-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@@H]2CC[C@@H]2C2CC2)CC1 2342201575 IOTDBXFQPZHNEP-XOKHGSTOSA-N 260.421 4.764 30 10 CJEE C=C[C@H](NCCC)[C@@H](c1ccccc1)C1CCCC1 2342368655 UABHCZFTLWGQKM-ROUUACIJSA-N 257.421 4.515 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NC 2344340357 QTQPSAJLLQALLY-QAETUUGQSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCCC[C@@H]1C2)NCCC 2344375125 AYVCSMKEFIVXLA-SOLBZPMBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(=C2CCC2)C1)NC 2344377223 CNANCCGYPDOUMH-ZWKOTPCHSA-N 261.453 4.847 30 10 CJEE 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YESOUNGXBDUJDL-KRWDZBQOSA-N 267.397 4.883 30 10 CJEE Cc1cc(C)c([C@H](C#N)Cc2ccccc2F)c(C)c1 57741064 MMPBCALHHZWTJU-INIZCTEOSA-N 267.347 4.601 30 10 CJEE COc1ccc(C(C)C)cc1C[C@H](C#N)c1ccccc1F 57761219 OMHRWXKPDCYEBZ-MRXNPFEDSA-N 297.373 4.808 30 10 CJEE COc1ccc(C[C@@H](C#N)c2ccc(C)cc2)cc1Cl 57762835 ASTDGJBQMJHUSP-HNNXBMFYSA-N 285.774 4.507 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(F)cc1F 59526288 VJILBQWRCGECPQ-UHFFFAOYSA-N 284.346 4.525 30 10 CJEE CC[C@@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 61891875 LZFLFBPLCUFBCT-VCTAVGKDSA-N 297.229 4.726 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)CC1 86942466 MLKSSNTTXPUGJM-IRXDYDNUSA-N 270.420 4.769 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(NCc2ccccc2)CC1 86959703 GGTZZLVEYKIBMB-PKOBYXMFSA-N 284.447 4.665 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 91880772 AOEAYAHAMPBSEG-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CC(C)CCN(C[C@H](CS)C(C)(C)C)C1CCCC1 94853848 LNPQSRSLOWYJGJ-OAHLLOKOSA-N 285.541 4.869 30 10 CJEE CCCCCC(C)(C)CNC(=O)C1(C#N)CCCCCC1 94989110 BDOOZRYLEYKCAY-UHFFFAOYSA-N 292.467 4.573 30 10 CJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1C 96887851 BNVRICXIUPGVHX-XYOKQWHBSA-N 294.394 4.987 30 10 CJEE N#C[C@@]1(NC2CCCCC2)CCCC[C@H]1c1ccccc1 97898545 XMWURISEHGPAQL-OALUTQOASA-N 282.431 4.529 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccccc1Cl 103940786 ISBGGICWUJBJKQ-OAHLLOKOSA-N 267.844 4.960 30 10 CJEE CC[C@@H](Nc1ccc(Cl)cc1C#N)C1CCCCC1 104162703 PWYLLLBPUQTNGM-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE C=C[C@H](C)Cc1cc(Br)ccc1OCCC 107588639 DUEZIHRLJFCMCC-NSHDSACASA-N 283.209 4.603 30 10 CJEE CCCCCCC[C@@](C)(NC)c1nc2c(s1)CCCC2 109689545 OMVPXPLCFBXHLG-QGZVFWFLSA-N 294.508 4.817 30 10 CJEE CCCOc1ccc(Oc2cc(Cl)ccc2C#N)cc1 110261652 JVRGZYAXCZXCRC-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE C[C@@H]1CCC[C@H](SCc2cc(C#N)ccc2F)C1 110354821 DBTBPERFJJNAOC-RISCZKNCSA-N 263.381 4.509 30 10 CJEE CCCCCCCCC[C@H](O)c1ccccc1OC 112884887 RQWDQJUCFAGHQV-INIZCTEOSA-N 264.409 4.869 30 10 CJEE CCCCCCCCC(=O)c1cc(OC)c(OC)cc1C 115855374 VPEYSSLRORSUIA-UHFFFAOYSA-N 292.419 4.946 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc2c(c1)CCN2 115859244 DOMDLLYLJXWRMS-UHFFFAOYSA-N 288.435 4.734 30 10 CJEE CCCCCCCCC[C@@H](CO)Cc1ccccc1 116630642 AXZLWFATGACVJK-GOSISDBHSA-N 262.437 4.978 30 10 CJEE CCCCCCCCn1ccc([C@H](CCC)NC)c1 118244675 ULQKIBFZKFOJQC-KRWDZBQOSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCCc1onc(N)c1Cl 118757773 SBJXREZDHPBINQ-UHFFFAOYSA-N 272.820 4.984 30 10 CJEE CCCCCCCOCc1cc(CNC2CC2)sc1C 123141435 CZSWFRCRVFMCRH-UHFFFAOYSA-N 295.492 4.796 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](CCC)OCC 126420220 ZQCRXTBBDDFKRG-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCNCCc1ccc(F)cc1C 126991299 UZJUEOQTMHSUBJ-UHFFFAOYSA-N 265.416 4.627 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](C)[C@@H]2C)c1C#N 127073636 CBFGVQMYXVWGPP-SGMGOOAPSA-N 274.433 4.517 30 10 CJEE C[C@H](NC1CCC2(CCCC2)CC1)c1ccc(C#N)cc1 129278171 VKYYFTGNHNMXEJ-HNNXBMFYSA-N 282.431 4.712 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(OC)CCCCCC1 131087359 JZFSUPPPIPFMGH-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](C#N)CCC#N 153532458 RKHRHVYIPDLORM-CYBMUJFWSA-N 290.794 4.594 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(C)cn1 156616005 HXORUCVUUIXDCQ-KRWDZBQOSA-N 263.425 4.954 30 10 CJEE C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(C)(C)C 157941951 DFTANJJFSFZACN-JTQLQIEISA-N 284.325 4.671 30 10 CJEE N#CC1([C@H](O)c2ccccc2Cl)CCCCCCC1 158972875 STIRPMDDBXGFEA-OAHLLOKOSA-N 277.795 4.628 30 10 CJEE CCCCCCCC[C@H](NCCC)C(F)(F)F 159064254 PXTLWYDVXNUGTP-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CN)[C@H](C)C1 165319996 UDFVQTHECDWWTE-RTBURBONSA-N 296.543 4.824 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc3ccccc23)C1 218337236 WSLTUSWCDXIJBV-CCKFTAQKSA-N 279.383 4.593 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 218441977 YSNIVOAJPGQNEP-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE Cc1ccc(Cl)cc1Oc1c(C)cccc1C#N 221151627 GVLFBBGBJKQUCY-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE N#Cc1cc(F)cc(Oc2cc(Cl)ccc2Cl)c1 227633535 OPIMDILIZXIROV-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CC(C)(C#N)CCCCSc1cc2ccccc2[nH]1 232525654 QDRLIFVTCFTBAX-UHFFFAOYSA-N 272.417 4.980 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccoc1Cl 232920391 CWCUPFMOIOTRCG-CYBMUJFWSA-N 257.805 4.944 30 10 CJEE CCCCCCCCCCNc1ncnc(CC)c1F 232930259 MMPROROQTGFEKB-UHFFFAOYSA-N 281.419 4.731 30 10 CJEE Cc1ccc([C@@H](C)NCCCCC(C)(C)C#N)cc1F 235192798 RMVHKXBLQNNQHL-CQSZACIVSA-N 276.399 4.505 30 10 CJEE O=C(C1=CCCCCC1)c1cc2cc(F)ccc2o1 236207608 WYQVSPAJYQPPSW-UHFFFAOYSA-N 258.292 4.645 30 10 CJEE C=CCCCCC[C@H](N)c1cc(F)c(Cl)cc1F 236302633 PFMJRSFBHSOPCU-AWEZNQCLSA-N 273.754 4.755 30 10 CJEE C=CCCCCC[C@@H](O)C12CC3CC(CC(C3)C1)C2 236547445 CBPLZMKUENSBRY-AWDGRILASA-N 262.437 4.700 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H]1[C@H]1CCCN1 250804511 FDRPLJYIIDXHHQ-GUDVDZBRSA-N 294.527 4.637 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Sc1cc(Cl)cc(Cl)c1 304300148 AYEJPOQSMZZZCJ-UFBFGSQYSA-N 272.200 4.778 30 10 CJEE CCCCCCCOc1cccc(Cl)c1[C@H](C)NC 311936731 WVOYUDNVTBPQBZ-ZDUSSCGKSA-N 283.843 4.970 30 10 CJEE CO[C@@H]1CCC[C@@H](C2(C=O)CCC(C(C)(C)C)CC2)C1 316930477 YDQNRQLUQZFGTM-GARNVTTQSA-N 280.452 4.613 30 10 CJEE C=C[C@@H](C)C1(CNCC(C)C)CCC(CC)CC1 318144458 DINQNFOXLPGKBR-KLAILNCOSA-N 251.458 4.641 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1ccccc1Br 319664274 GAMULWJEQSXLSE-GWCFXTLKSA-N 298.249 4.725 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1ccc(O)cc1 382243721 YMMASXBQSNPJEC-KRWDZBQOSA-N 261.409 4.569 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(SC)cc1 383599325 NWHTTWPUQRKGPZ-KRWDZBQOSA-N 289.488 4.889 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C#N)c(Br)c1 383933070 SYKLAMKWEIMKHW-LBPRGKRZSA-N 295.224 4.701 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1c(Cl)cccc1Cl 385099338 ZKGOTZWYJIJQJL-ONERCXAPSA-N 298.213 4.747 30 10 CJEE CCCCCCCCCCCC[C@H](N)C1[C@@H]2COC[C@@H]12 386040511 YLEMPMILFVKLOA-ZACQAIPSSA-N 281.484 4.517 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cccc(Cl)c1F 395889932 ICSQYASEVCKPEO-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCC[C@@H](CS)COc1cc(C(F)(F)F)ccc1F 396362402 MDSNVIACLLQPTA-SECBINFHSA-N 296.329 4.569 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 398207223 YQRZZJJHRHSZFO-NEPJUHHUSA-N 269.791 4.875 30 10 CJEE CCCCCCC[C@H](N)CCc1c(F)cccc1F 402037382 DIFKHWSTCWZQFA-ZDUSSCGKSA-N 269.379 4.585 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(c1ccccc1F)C1CCCC1 466860974 JEZWYYFGQGRKGP-CQSZACIVSA-N 289.394 4.704 30 10 CJEE C=CCC[C@H](NCc1ccc2ccccc2n1)c1ccco1 556873513 YMFJMIHAEGYXLZ-SFHVURJKSA-N 292.382 4.625 30 10 CJEE C#CCCCCC[C@@H](CC1=CCCCC1)NCCC 686681450 QKCWJSSJWYWQNB-SFHVURJKSA-N 261.453 4.829 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCOC1)NCC 689573833 CXWSCGZOORJMIF-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cccc(C(C)(C)C)c1 691676510 TWQSUSDVLUQPEP-KRWDZBQOSA-N 271.448 4.684 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H](C)c1ccccc1 692215374 QIIVTEVLDPUAFW-QRQLOZEOSA-N 271.448 4.905 30 10 CJEE COC1(CC2(C=O)CCC(C)(C)CC2)CCCCC1 692806621 HPYOIULZDZKCFK-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE N#C[C@H](CNCCCC1CCCCC1)C1CCCCC1 694019195 PDVPJQWAGAKQMK-GOSISDBHSA-N 276.468 4.657 30 10 CJEE C=CCCSCCN[C@@H](CC)c1ccc(Cl)cc1 696017665 ISKKOXATNQBRAK-HNNXBMFYSA-N 283.868 4.690 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCCOC2CCCC2)C1 699954484 HYVXGCVFNYLYBE-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1sccc1C 703988376 JNFXHAKCFTYOSN-ZDUSSCGKSA-N 251.439 4.700 30 10 CJEE CCCCCCCCC(=O)C[C@H](C)C(F)(F)F 705521713 BFENTXRFPNEQLB-NSHDSACASA-N 252.320 4.895 30 10 CJEE CCCCCCCCCC[C@](C)(O)[C@@H]1CCCCO1 705929719 JYLSNXGIOVBMPK-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](C)NOCCCC(F)(F)F 710156540 BMNHONKILJXRAZ-LBPRGKRZSA-N 269.351 4.599 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1scc(C)c1Cl 710616471 ABSWSXZDMARIAF-SNVBAGLBSA-N 278.248 4.893 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1csc(Cl)c1 710670814 QPSBBKHVYIHDOT-JTQLQIEISA-N 264.221 4.585 30 10 CJEE CCCCCCCCC[C@@H](NN)C12CCC(CC1)C2 710863829 FSQYLPDXSLZJMX-AQFXKWCLSA-N 266.473 4.539 30 10 CJEE CC[C@H]1CCC[C@@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 711155087 YIZTZIDNRQSSQS-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CC(C)(C)OC2(C)C)C1 711320993 HYLBAUDMPUNSAR-CKEIUWERSA-N 263.425 4.690 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(NC)c1 711924606 UYYAOFAZFBNTHT-QGZVFWFLSA-N 263.425 4.902 30 10 CJEE CCCCCCCC[C@H](O)CC1C[C@@H](C)O[C@H](C)C1 724397455 PJWCRIPJMXDTRH-INMHGKMJSA-N 270.457 4.692 30 10 CJEE C=C1CCC(CN[C@@H](c2ccccc2)C(C)C)CC1 724443644 UZHZBZVRXIZMRF-GOSISDBHSA-N 257.421 4.720 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCC3(CC3)C2)CC1 724559431 MFBZWPIAERFTRW-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CC2(F)F)NCCC)CC1 724601068 UYBZAHXEIRUXBY-HUUCEWRRSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@@]2(C#N)CCc3ccccc3C2)CC1 724609613 WDAWINGSCRHHSM-IBGZPJMESA-N 265.400 4.822 30 10 CJEE C1CCC([C@@H]2CCS/C(=N/CCC3CCCC3)N2)CC1 725103094 FAXSWRSCRJNTML-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](CC)c1nccs1 793532581 HDWRBQRHIDEOND-KGLIPLIRSA-N 266.454 4.709 30 10 CJEE C#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 809601929 FSCJEVMJLUQZLD-LJQANCHMSA-N 295.813 4.562 30 10 CJEE CC/C(=N\OCCCOc1ccccc1)c1ccc(C)cc1 821218484 TVESCUWWJCYQDU-FMQUCBEESA-N 297.398 4.595 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(CC)CCCCC1 1129663362 CBMAZJGCQKRJMM-GOSISDBHSA-N 299.458 4.651 30 10 CJEE CC#CCN(CCC(C)C)Cc1ccc(Cl)c(Cl)c1 1167116416 QGXNFLYJGSJWDU-UHFFFAOYSA-N 298.257 4.865 30 10 CJEE CCCCCCCCCN1CCc2ccc(C#N)cc21 1168925344 NNEYPBNSPGBVLT-UHFFFAOYSA-N 270.420 4.671 30 10 CJEE C=CCOc1cccc(CNCC2(CC(C)C)CCC2)c1 1178176376 NMEMFAKSIYEKPN-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2cn(C(C)C)nc21 1205246597 UHERIQXMAOBUIV-DLBZAZTESA-N 289.467 4.566 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 1265568683 DYHHBQJIWMBCMK-UHFFFAOYSA-N 297.320 4.721 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2cc(C)ccc2C)CCCC1 1266815714 CCAYKDSTKIFLCM-MRXNPFEDSA-N 285.431 4.617 30 10 CJEE C=CCCCCN1CCC[C@H]1c1cc(C)ccc1C 1307581851 CKLJPQFFKZZTRT-SFHVURJKSA-N 257.421 4.797 30 10 CJEE C=C(C)c1cccc(NCc2c(C)nn(C(C)C)c2C)c1 1308542924 GBRKBSSZVOYDFH-UHFFFAOYSA-N 283.419 4.726 30 10 CJEE C=CC[C@H](C(=O)NC1CCCCCCC1)c1ccccc1 1351601485 VQKDEZRKGZOSLI-SFHVURJKSA-N 285.431 4.575 30 10 CJEE C=C[C@H](OC(=O)C1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1437636558 DGJFQURCAPBBDA-CPUCHLNUSA-N 272.388 4.529 30 10 CJEE C=C(C)[C@@H](N[C@H](C)CC(C)C)c1ccc(F)c(F)c1 1459979170 HTLYPOSXZAAMFG-MLGOLLRUSA-N 267.363 4.606 30 10 CJEE C=CCC1(NCCc2ccccc2CC)CCCCC1 1460630836 NVWJMYXAMAPCQD-UHFFFAOYSA-N 271.448 4.660 30 10 CJEE C#Cc1ccc(CNCC[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 1461476016 XSNCFLCAUUSPSE-APWZRJJASA-N 283.459 4.610 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)N[C@H](CCC(C)C)C(C)(C)C 1477911831 DLHVFZPCWILHBR-HZPDHXFCSA-N 294.483 4.587 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(C)c1C 1525069240 GFZOPORTIJVZRG-UHFFFAOYSA-N 293.410 4.522 30 10 CJEE C=CC1(CC(=O)N[C@H](CC)Cc2ccccc2)CCCCC1 1529678315 OHWOLQBZNAPUFX-GOSISDBHSA-N 299.458 4.651 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C1CC1 1530116346 QFZHTQBTKJBNBS-MSOLQXFVSA-N 297.442 4.960 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1c(C(C)=O)ccc2ccccc12 1531380379 XGZPRXUAAJGDIN-LJQANCHMSA-N 295.382 4.583 30 10 CJEE C=CCC1(NC(=O)Cc2ccc(C(C)(C)C)cc2)CCCC1 1532701485 QHYRYURBDHMTPL-UHFFFAOYSA-N 299.458 4.532 30 10 CJEE C#Cc1ccc(C(=O)Nc2ccc(CCCCC)cc2)cc1 1540369356 KCFSKSXEOPGDMY-UHFFFAOYSA-N 291.394 4.653 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CCC1CCCC1 1544505192 VMHYLBSHSWGBRE-DOTOQJQBSA-N 277.452 4.550 30 10 CJEE C#C[C@H](N[C@@H](C)[C@H]1CCC(C)=C(C)C1)c1ccc(F)cc1 1560852266 DLNXEBVTQNUVRU-IEZWGBDMSA-N 285.406 4.615 30 10 CJEE C=CCCCCCCCNC(=O)C1CC(C(C)(C)C)C1 1583102975 IXHIDMDBBMLAMT-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C#CCCCCCC(=O)NC(C)(C)CC1CCCCCC1 1585131431 LVPXTZSPQQHXQT-UHFFFAOYSA-N 291.479 4.825 30 10 CJEE C=CC[C@@H]1N(C(=O)c2cc(C)cc(C)c2)CCCC1(C)C 1586319927 MNUAATNBMZXYJT-KRWDZBQOSA-N 285.431 4.510 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCC)CC1CCCC1 1587889814 QGCUEMVAIYKNHJ-OKZBNKHCSA-N 289.463 4.693 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc(-c2ccccc2)ns1 1612604292 PMHCIBQQUOPWEB-UKRRQHHQSA-N 299.443 4.752 30 10 CJEE C=C[C@@H](OC(=O)c1ccccc1C(F)F)c1ccccc1 1617557636 XFPPPFIQKDBVCG-OAHLLOKOSA-N 288.293 4.708 30 10 CJEE C=CC[C@@H]1N(CCO[C@@H]2CCCC[C@@H]2C)CCCC1(C)C 1617603797 GONRMVSXOFYUAM-KSZLIROESA-N 293.495 4.648 30 10 CJEE C=CC[C@H](NC[C@@H](C)CC1CCCCC1)c1ccncc1 1620799764 KHVSNLGDXHBXNA-LPHOPBHVSA-N 286.463 4.895 30 10 CJEE C#C[C@@H](NC[C@H](CC)c1ccccc1)c1ccc(Cl)cc1 1621368451 KUCMUDPVYAWPTM-HNAYVOBHSA-N 297.829 4.798 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1625430324 AIRGEFXUALWPBP-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1625512365 FQDWOQNPEOMRMB-IXDOHACOSA-N 291.479 4.702 30 10 CJEE C=CCCCN[C@@H](CC(C)C)c1ccccc1OCC 1642413742 YCIQXVJBKSUBER-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C=CCC1(CNCc2ccc(C)cc2Cl)CCCC1 1651074353 YQAIETJQAKBVEV-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@H]1CCc2ccccc21 1652564660 ZFKCNIUQBHKVRR-QZTJIDSGSA-N 271.448 4.831 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(OC)ccc1Cl 1655044675 KFIBLQBVIUHUTM-CXAGYDPISA-N 293.838 4.573 30 10 CJEE C=CC[C@H]1CCN1[C@H](CC)c1ccc(Br)cc1 1655815988 SXCUDZUEEFHMJT-LSDHHAIUSA-N 294.236 4.551 30 10 CJEE C#CCCCCCCN1C[C@@H](C)Oc2ccc(Cl)cc21 1657427808 KJNOJYYZBUUIMJ-CQSZACIVSA-N 291.822 4.511 30 10 CJEE C=C[C@H]1CCCCN1CCc1ccc(C(C)(C)C)cc1 1657943189 MMKTVWUOAGCZFZ-SFHVURJKSA-N 271.448 4.567 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCC[C@H]1C)c1ccccc1 1658806814 SHMVMTYXLDTYLR-NXHRZFHOSA-N 257.421 4.862 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C(C)C)C1 1660014510 KJWSKFSWRANJMB-XUVXKRRUSA-N 285.475 4.978 30 10 CJEE C=C(C)CCNCc1cc(Cl)ccc1OC1CCCC1 1662499438 WPCRQGMGBIDMRD-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=CCNC(=O)Nc1cccc([C@H]2CCCC(C)(C)C2)c1 1665235263 KYKXDGIBEKNIJT-HNNXBMFYSA-N 286.419 4.678 30 10 CJEE C=C1C[C@H]2CC(NCC3(C(C)C)CCC3)C[C@@H](C1)C2 1876774898 USWVZDAGYZXYEM-SJPCQFCGSA-N 261.453 4.537 30 10 CJEE C=C(CN1CCCCCCCCC1)c1ccccc1 1883338188 QTNVTLNBSBUUDH-UHFFFAOYSA-N 257.421 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265.381 4.615 30 10 CJEE C=C(C)CC[C@@H](O)c1c(Cl)cc(C)cc1Cl 1905222271 GALOJJMKIPIKCT-GFCCVEGCSA-N 259.176 4.692 30 10 CJEE Cc1c(Cl)cccc1C[C@]1(C=O)CCCC[C@@H]1C 1913057037 XDNTZSNNDQDJJB-LRDDRELGSA-N 264.796 4.586 30 10 CJEE CCCCCCCCC(=O)[C@@](O)(c1cccs1)C(C)C 1919405222 TYLAVHRCFCHRMH-QGZVFWFLSA-N 296.476 4.911 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)C[C@H](C)CC(C)(C)C 1920386889 LIAZMICVBKOWQO-BQFCYCMXSA-N 285.516 4.888 30 10 CJEE CC[C@@](O)(C1CCCC1)C1(C#N)CCCCCCC1 1921034164 QTGWOERCVOLLLR-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE CC[C@@](O)(c1cccs1)C1(C#N)CCCCCCC1 1921076253 YLMVGRQNZORVEY-MRXNPFEDSA-N 277.433 4.600 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1CC(C(C)C)C1 1921262801 WVAWLONJZQKLOH-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CC(C)[C@@H](C=CB1OC(C)(C)C(C)(C)O1)c1ccccc1 1921304868 INAXKHVOCVXMLH-MRXNPFEDSA-N 286.224 4.614 30 10 CJEE CC(C)(C)N(Cc1ccccc1)CC1(CS)CCCC1 1932004537 BVJUXHHKBZAWSB-UHFFFAOYSA-N 291.504 4.777 30 10 CJEE C=CCCCc1cc(Cl)c(C)c(Br)c1 1956483092 ZAZMRFJEXNOOAL-UHFFFAOYSA-N 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30 10 CJEE CC(C)CCC[C@H](C)CCNc1ccc(C#N)cc1 2272299830 XEMSOUUOZAXEFK-HNNXBMFYSA-N 258.409 4.823 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@]12CCC[C@H]1CC2 2273326663 STIMTCQJKXQZBM-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@]23CCCC[C@H]2CC3)CC1 2273336265 CUIFWJJEDNSXKN-UWWQBHOKSA-N 260.421 4.908 30 10 CJEE C=C1CC(CNC(C)C)(C[C@]23CCCC[C@H]2CC3)C1 2273512637 YXHJHABWCKYSDY-FUHWJXTLSA-N 261.453 4.681 30 10 CJEE CCCN[C@@H]1CCCC[C@@H](CC#CC2CCCC2)C1 2274147302 YIYGJOHETVFDLB-ZWKOTPCHSA-N 261.453 4.519 30 10 CJEE C=CC1(C[C@@H](NC)C2CC(CC(C)(C)C)C2)CCC1 2274200765 NCKHGSMKVBSNHZ-UYSNPLJNSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H](C)OC(F)F 2274379108 AEMWCJVHPRTYBW-KBPBESRZSA-N 279.415 4.733 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CC(C)(C)CCC1(C)C 2274553010 YFNIIRZLQODJSS-CQSZACIVSA-N 264.457 4.511 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H]1C)OCCN 2276053138 RGVPADCHMRNHMD-YESZJQIVSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C(C)(C)C 2276712335 DFLAQKYNVFWDIN-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@H](OCCN)C(CCC)CCC 2276766416 CWIOATYKOOEMRI-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@H](C)[C@H]1C 2277378417 UGVIFVXFKJKUJK-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@@H](C)C(C)C 2278178561 PKDJBXAQMYGDSN-DOTOQJQBSA-N 270.457 4.739 30 10 CJEE Cc1cc(N[C@@H](CCC(C)C)C2CC2)cc(C)c1C#N 2280563682 NSEGQKTXKHNVLK-SFHVURJKSA-N 270.420 4.802 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1C[C@@H]1C1CCCCC1 2284109196 KFRKBKHMXQEWEX-SJORKVTESA-N 272.432 4.768 30 10 CJEE Cc1cc(C#CC2(O)CCCCCC2)cc2ccsc12 2284398183 VFPMGNOYKMCWBN-UHFFFAOYSA-N 284.424 4.647 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=Nc2cccc(C(C)(C)C)c2)N1 2285714582 JIAJTZFVKKOQSY-DOMZBBRYSA-N 290.476 4.723 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C(C)(C)[C@H]1CCCCO1 2287371616 DVCOANBSQFOBBJ-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 2289789699 HCRGTSGJLDTZSK-NCXUSEDFSA-N 273.464 4.504 30 10 CJEE CC(C)CCC(=O)[C@H](C#N)c1cccc(C(C)(C)C)c1 2290189540 CJSHKOKRBROXEA-MRXNPFEDSA-N 271.404 4.597 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H]1C)OCC(=O)O 2291305644 SCNNJMZJIKQHJZ-HRCADAONSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@@H]1C)OCC(=O)O 2291320043 NPDJGKRVMMBTHZ-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@](C)(CC1CC1)OCC(=O)O 2291812178 VURPADWUAREDFU-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)C(F)F)OCCN 2292957901 LRUAPJGSJMYXRZ-AWEZNQCLSA-N 293.442 4.762 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@@H]2CCCC[C@@H]21 2293699661 KCPNHLHCRGLULO-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=C(Cl)CC1(OCCCN)CC2(CCC(C)(C)CC2)C1 2294031387 AFEROOMTONGKCL-UHFFFAOYSA-N 299.886 4.614 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1CCO 2295674880 WHNPZAGDKYELOW-KSZLIROESA-N 283.500 4.656 30 10 CJEE C=CC[C@H](C)SCC(=O)c1cc(Cl)ccc1Cl 2298943073 QJCNQUNIOUQCOV-VIFPVBQESA-N 289.227 4.874 30 10 CJEE CS[C@H]1C[C@H](CC2(C#N)CCC(C)(C)CC2)C1 2299363670 BZGIMPMQZDYROY-JOCQHMNTSA-N 251.439 4.628 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(F)c(C)c1Cl 2301081282 NFRVIIBTHBUBAN-VIFPVBQESA-N 254.732 4.573 30 10 CJEE C[C@@H]1CCCC[C@H]1OC[C@](C)(CS)C(C)(C)C 2307105570 FTDYCZWURHTYNM-UMVBOHGHSA-N 258.471 4.564 30 10 CJEE C[C@H]1C[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCC2)CCS1 2311618373 SCZSCSLBNPVUFK-QCEMKRCNSA-N 263.450 4.628 30 10 CJEE C[Si]1(C)CCC(C#N)(c2ccc(Cl)c(F)c2)CC1 2315351466 ORXOZRZUPIQEMH-UHFFFAOYSA-N 281.834 4.743 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(F)c(C)c1Cl 2316781007 WCVBKSCWGXSWNY-BONVTDFDSA-N 269.791 4.650 30 10 CJEE CC1=CCC[C@H](Cc2ccc(Cl)c(Cl)c2C)C1=O 2316834928 WGWNJPKXLPGMDQ-GFCCVEGCSA-N 283.198 4.770 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@]1(C)CCCC1(F)F 2321107731 IYTOPYFIQRODSN-IHRRRGAJSA-N 259.384 4.522 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC[C@@H]2CCC(C)(C)C2)C1 2321579279 WQGWJWFJBFFBRZ-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CCCC[C@@H]2C[C@@H]21 2327115364 KIYQKJUKXOUDBR-HLPPOEQASA-N 270.482 4.564 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329830394 DIRDNBFKUXYSDP-TXTZMMAHSA-N 261.453 4.537 30 10 CJEE C=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2333064853 CDCQHKMEOJJEBD-GXUNQHPWSA-N 286.459 4.866 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@@H](CCC)c2ccc(Cl)cc2)C1 2333896783 JBMJLJRKMOROIO-XKQJLSEDSA-N 275.823 4.573 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCC 2344341288 ALEGZFXABUHFPK-UYTYNIKBSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2344345090 LLVKXPQABGLTJA-SFFUCWETSA-N 261.453 4.689 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@@H]2CC[C@H]2C1)NCCC 2344348170 IEZRCHKNGIXMKU-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc2c1CCCC2 2344362307 QHPKXPKFSRCVEY-SFHVURJKSA-N 256.389 4.741 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc2c(c1)CCC2(C)C 2344476729 NGPSLSIKTVPIPZ-INIZCTEOSA-N 258.405 4.546 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C12CC(CC(C)C)(C1)C2 2344840783 SEAXDPUAHLCGQX-VYMRPNJYSA-N 263.469 4.783 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCCCC12CCCC2 2352011806 ZDCZSVFZPWYOQQ-MRXNPFEDSA-N 282.449 4.644 30 10 CJEE CC1=CC[C@@H](CC2CCC(CC(F)(F)F)CC2)C1=O 2353124617 CUFZMRUQPMWBNQ-BPCQOVAHSA-N 274.326 4.671 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@H]1C(C)C 2357847237 UHGRANBZDDHWNW-JZXOWHBKSA-N 282.468 4.739 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@]12CCCC[C@@H]1C2 2359888058 CJIQSHDYOZFTDO-CEXWTWQISA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)OCCCN 2360057502 YJDZPTRPKNMPAH-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@]12CCOC[C@@H]1C2 2360175913 ZYUSTWJCWFNQPI-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1cc(F)ccc1F 2360323138 HCZSQBNXTSFCND-WBMJQRKESA-N 299.430 4.703 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 36790549 QSTTUQMLFHCECP-JCHJZTRSSA-N 284.447 4.583 30 10 CJEE CC(C)CC[C@@](C)(C#N)Nc1cccc(Br)c1 37937588 ZQEUKWIVZHPPPA-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE N#C[C@@H](CCCOc1ccccc1Cl)c1ccccc1 57684493 VHZVYBIAXVIAJD-OAHLLOKOSA-N 285.774 4.806 30 10 CJEE Cc1cc(Cl)ccc1OCC[C@@](C)(C#N)c1ccccc1 57687728 JIBSFLSZHIQNNQ-SFHVURJKSA-N 299.801 4.899 30 10 CJEE CCc1cc(C[C@H](C#N)c2cc(C)ccc2C)ccc1OC 57762509 RGHBPEJHEQADJL-GOSISDBHSA-N 293.410 4.724 30 10 CJEE CCCCCCCN[C@@H](C)c1cc(C)ccc1OC 59427128 RCUGMHXTZDPZMB-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE C(=N/c1ccc(Oc2ccccc2)cc1)\c1cccnc1 59457204 YPFBGZVEGQUMKH-XSFVSMFZSA-N 274.323 4.625 30 10 CJEE CC(C)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)cc1 59460014 VYAQWBCVWDWKNL-VCHYOVAHSA-N 286.306 4.608 30 10 CJEE Cc1ccc2ncc(C#N)c(Nc3ccc(C)c(F)c3)c2c1 64438622 FZLUBVNSSGIOEK-UHFFFAOYSA-N 291.329 4.606 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(Cl)cc1 70138300 GINOAFOCPRXBDK-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)CC1 86922681 PLKQTCNVHZICSR-GOEBONIOSA-N 256.393 4.719 30 10 CJEE C=C(CC)C[C@@H](Cc1cccc2ccccc12)NCC 97284182 GCSDQEKLAZSBBE-SFHVURJKSA-N 267.416 4.717 30 10 CJEE CCCCCCCOc1ccc([C@@H](N)C(F)(F)F)cc1 103549978 HKRNUJDRUOHDNR-CQSZACIVSA-N 289.341 4.598 30 10 CJEE CCCCCCCNC[C@H](c1ccccc1Cl)N(C)C 106351634 IENMHMAJWQPLTA-QGZVFWFLSA-N 296.886 4.503 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(Br)ccc1F 107587762 FDRWUQRINITZBK-WDEREUQCSA-N 283.184 4.741 30 10 CJEE C=CCn1c(C2CCCCC2)nc(CCCCCC)c1N 110057809 DFQNMKXRSSVYIN-UHFFFAOYSA-N 289.467 4.822 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccccc1C 110081344 MBMLQZUFISNQRG-SFHVURJKSA-N 277.452 4.633 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)c1ccc(F)cc1C#N 111036687 AGWRJJQBQWRBPG-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCCCCCCN1CCC([C@H](C)N)CC1 111612356 YBSCAMYCXHJRTJ-SFHVURJKSA-N 296.543 4.967 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CCCc2ccccc21 112888434 RAWRSINLLVQUND-QZTJIDSGSA-N 260.421 4.828 30 10 CJEE CCCCCCCCCCn1ccc(CNCC(C)C)n1 112934807 HJXLYZXEPMDPKS-UHFFFAOYSA-N 293.499 4.769 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(c1)OCCO2 115855099 YPURVBWFLNUOEJ-UHFFFAOYSA-N 290.403 4.781 30 10 CJEE CCCCCCC[C@@H](NC)C(CC)(CC)N1CCCC1 118171890 WVTFDYIVIKMOHW-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE N#Cc1c(Cl)cccc1Nc1c(F)cccc1Cl 122252255 XBZREABSWPBYCC-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C[C@@H](C#N)CSc1ccccc1NCCc1ccccc1 123607909 WVNKGVLTEWIGNW-HNNXBMFYSA-N 296.439 4.593 30 10 CJEE CCCCCCC[C@@H](O)c1cc2cccc(F)c2o1 124169931 DQWFYDFVJCWTPF-CQSZACIVSA-N 264.340 4.966 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(CC)c1 124294297 FEPHVVIVMUCZDD-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(Cl)c1F 126535659 VCPVLCDEIHVNKO-CQSZACIVSA-N 286.822 4.734 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@H](C)CC)c1C#N 127014582 TUJZKTJSOXQLIE-NEPJUHHUSA-N 262.422 4.517 30 10 CJEE CCCCc1ccc2oc(C#N)c(CC(C)C)c2c1 130346541 HKLAJKBXCQHJBK-UHFFFAOYSA-N 255.361 4.846 30 10 CJEE CCCCCCCCNc1cccc(C(F)(F)F)n1 132223631 JQCUIMCHQIMGGT-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1cccc2ccccc12 158947157 WNZCQOCSTBWNIW-FQEVSTJZSA-N 281.443 4.820 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CCO[C@@H]1C 159710742 ZXLBUPIVSPJMFL-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE Cc1ccc2c(c1)[C@@H](Nc1cc(C#N)ccc1Cl)CC2 160835648 PAPHWJCABRHGPJ-INIZCTEOSA-N 282.774 4.620 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 164936667 JCPRIJVXDGWOLE-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccnn1CCC 165567327 AZMUTKLUIWDEHQ-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(Br)c1C 167779371 YWGAAZASBFXKNS-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCCC[C@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C 227512428 URQZBLCYZMJAMQ-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=C[C@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 229324779 JJJBBGZTMHNALB-TVQRCGJNSA-N 258.192 4.609 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccccc1C(F)(F)F 229736629 RVEJILCZCKPJMX-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C#C[C@@H](CCC)N[C@H](c1ccccc1)C1CCCCC1 229920752 BGUDVSUAYYJJMP-RBUKOAKNSA-N 269.432 4.700 30 10 CJEE C[C@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)cc1F 231750036 POORDYYLULLKST-ZCFIWIBFSA-N 289.194 4.597 30 10 CJEE CC(C)(C)c1ccc(-c2csc(C(C)(C)C#N)n2)cc1 231790643 WSKBZWUAXNUDAJ-UHFFFAOYSA-N 284.428 4.909 30 10 CJEE Cc1cccc(N[C@H]2CCC[C@H](C(C)C)CC2)c1C#N 232745684 SAYJYKFUWRCHLE-HOTGVXAUSA-N 270.420 4.884 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(SCC)cc1 233106457 LQJUEWXPQCEVBO-INIZCTEOSA-N 263.450 4.806 30 10 CJEE CC[C@H](C)CSc1ccc(C(F)(F)F)c(C#N)c1 234033522 GFSVWDPDAIZISI-VIFPVBQESA-N 273.323 4.715 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccccc2C2CCC2)CC1 235380003 LXAVWUQDGYSGAT-ZDUSSCGKSA-N 254.373 4.883 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 250918290 JZCBNBNNLOGBTQ-QANKJYHBSA-N 270.420 4.739 30 10 CJEE N#CC1(c2ccc(OCc3ccccc3)c(F)c2)CCCC1 260818979 WOVAXAYWHXRYLC-UHFFFAOYSA-N 295.357 4.740 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1CCC[C@H](C(F)(F)F)C1 300256140 FALQGFWHFNOIBH-IHRRRGAJSA-N 278.358 4.853 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C[C@@H](C)CC(C)(C)C 311348826 UKTBPPQMYNUHEV-CVEARBPZSA-N 265.485 4.867 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CCCC[C@H]1N 311835181 PQPCPFPCDDCYKY-DOTOQJQBSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCCN1CCc2sccc2C1=O 312366827 AJMAYUDTNKXJFY-UHFFFAOYSA-N 293.476 4.887 30 10 CJEE C=C(CC)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 313485781 UEZLQHFDUMKJPA-SECBINFHSA-N 276.182 4.749 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C=O)CCCc3ccccc32)C1 316477399 RQYAVVAQBXRPGO-MGTHKWJCSA-N 270.416 4.532 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2CCCC(F)(F)C2)C1 316674932 BCGFWLPTONTMGI-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)C1 316846693 NHVHTAPXBZZUQV-DISONHOPSA-N 278.436 4.510 30 10 CJEE CSc1cccc(N[C@H](C(C)C)C2CCC2)c1C#N 324748323 RAWNEDJSQOLFJK-MRXNPFEDSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@H](NCCC)C(C)(C)OC(C)C 383973018 FVVUYFZKYVLCHS-INIZCTEOSA-N 271.489 4.919 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccccc1Br 384899985 WKARQZKXXBKAIW-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE N#CC[C@@H](Nc1cccc(C(F)F)c1)c1ccccc1 386145236 HSWSHMIHUCFDHQ-OAHLLOKOSA-N 272.298 4.691 30 10 CJEE C=CC[C@@H](CNCCC)CC1CCC(C)(C)CC1 386637584 HZYYNTMPARCLGK-MRXNPFEDSA-N 251.458 4.785 30 10 CJEE Cc1ccccc1N[C@H](C#N)CCC1CCCCC1 395162581 UXISAJUIIWRAQD-INIZCTEOSA-N 256.393 4.660 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)Cc1ccc(Cl)cc1 398145469 BNUPIZVOGVIYJD-UONOGXRCSA-N 265.828 4.605 30 10 CJEE C[C@@H]1CN(CC2(CS)CCCCCC2)c2ccccc21 398465667 BENHVQAUPGNHMH-OAHLLOKOSA-N 289.488 4.881 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCC1(C#N)CCCC1 405181609 WWZSTZMSMSPRKI-UHFFFAOYSA-N 271.404 4.755 30 10 CJEE C=C(C)CC[C@](C)(CNC(C)(C)C)c1ccccc1 405742687 JYMUXOQRMZOWOJ-GOSISDBHSA-N 259.437 4.689 30 10 CJEE CCC(=NO)c1ccc(OCc2ccsc2Cl)cc1 688011511 RAGLRYGQDYVQMU-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE C=CCC1(Nc2ccc(C#N)c(Cl)c2)CCCC1 690792168 SOLSBGBEBIVPHW-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE CCCCCCCCC[C@@H](O)c1scc2c1OCCO2 691519992 FAUDSFMTFULUGU-CYBMUJFWSA-N 298.448 4.693 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)nc(C(C)C)n1 692242347 NXSLMEUDMVIWFE-STQMWFEESA-N 293.842 4.800 30 10 CJEE CCCCCCCC[C@@H]1[C@H]2CCCN[C@H]2C1(C)C 693701144 GVROICVRVWMNFJ-BZUAXINKSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCc1ncc(CNC(C)(C)C)o1 694545215 WJPRLBYPBXLBPD-UHFFFAOYSA-N 280.456 4.856 30 10 CJEE 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291.460 4.755 30 10 CJEE C=CC[C@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547326 KZYKUMDXCGCUOS-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE N#Cc1c(F)cccc1OCCCCCCCCCS 97799775 NQZDSEWHNQZORR-UHFFFAOYSA-N 295.423 4.737 30 10 CJEE CCCCCCC[C@H](Cc1ccc(C)cc1)C(=O)O 102949705 SJISFHZJYISPTD-MRXNPFEDSA-N 262.393 4.599 30 10 CJEE CCCCCCCCNCc1ccc([C@@H]2C[C@H]2C)o1 105942107 TZEDXRYQLWRTFH-GDBMZVCRSA-N 263.425 4.853 30 10 CJEE CCC(CC)CN(CC)c1ccc(C#N)c(C(F)(F)F)c1 110255142 IVIJDRGLRKVXBC-UHFFFAOYSA-N 298.352 4.840 30 10 CJEE CCCCCCCOCCCCCCNCCC 112718069 FAMYTWAPSPRPRZ-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCN1C[C@H](CC)NC[C@@H]1C1CCCCC1 114062048 UZLZRGFRHBEUMS-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC(=O)Nc1c(N)ccc(C)c1C 115854597 QFTHLXBWWDEHTN-UHFFFAOYSA-N 290.451 4.965 30 10 CJEE CCCCCCCC[C@H](CO)Cc1cccc(OC)c1 116634578 GHEIFZBXVSNZHG-KRWDZBQOSA-N 278.436 4.597 30 10 CJEE CCCCCCCC[C@H](O)C(C)(C)N1CCCCCC1 118149076 ZUSCKBXBSXVXKK-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE 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CC[C@@H]1CC[C@@](C=O)(Cc2cccc3ccccc23)C1 317703706 KWLZWJSMQKWQIG-BEFAXECRSA-N 266.384 4.778 30 10 CJEE CCCCCCCOc1nc(Cl)nc2ccsc12 380726529 HLLMVTMXHVZSJT-UHFFFAOYSA-N 284.812 4.694 30 10 CJEE C=CCCCCNc1ncc(C(F)(F)F)cc1Cl 381161367 RFDXFFSNVVJSRA-UHFFFAOYSA-N 278.705 4.522 30 10 CJEE Cc1cc(N[C@H]2CCCCC[C@H]2C#N)c(Cl)cc1F 382127816 WVXXNCZSHAERCO-FZMZJTMJSA-N 280.774 4.672 30 10 CJEE C[C@@H](c1ccccc1)N(C)CC1(CS)CCCCCC1 383639170 MLZIHUVWWUQGLA-INIZCTEOSA-N 291.504 4.950 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(OC3CCC3)cc2)CC1 384913800 DXVDQQPGDWPYQB-CYBMUJFWSA-N 270.372 4.547 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(F)cc1Cl 387470373 SHVUXBSHJMSSBZ-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cc(Cl)ccc1Cl 393807378 PZPNZQWCMUKOMX-ZYHUDNBSSA-N 272.219 4.999 30 10 CJEE COc1ccccc1SC[C@@H](C#N)C1CCCCC1 397131195 RMJDWEBZZCDUIJ-CQSZACIVSA-N 275.417 4.507 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCC2 398201664 WKGUJYGSVBGYLQ-LSDHHAIUSA-N 257.421 4.571 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](CC)CC(F)(F)F 402594914 AWRANQVBWRFSRA-UONOGXRCSA-N 296.421 4.938 30 10 CJEE C=CCCC[C@@]1(O)CCCC[C@H]1C1CCCCC1 404339195 RKMVIQMQSVKQFF-DLBZAZTESA-N 250.426 4.844 30 10 CJEE CCCCCCCCCC[C@]1(C=O)C[C@H](C)O[C@H]1C 686431646 WNDOKBAKOVLBTO-YESZJQIVSA-N 268.441 4.900 30 10 CJEE C#CCCCCCOc1ccc(C(C)(C)CC)cc1 686673651 CYGMAFIKTDSDHL-UHFFFAOYSA-N 258.405 4.947 30 10 CJEE C#CCCCCCOc1ccc(Cl)c(Cl)c1 686686103 CCTJDASRXQQWBI-UHFFFAOYSA-N 257.160 4.566 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)CC2CCC2)C1 688337216 IYJBWDALJWFBET-QGZVFWFLSA-N 277.452 4.674 30 10 CJEE CC#CC[C@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688347005 UVHLPIFSUXYSTI-INIZCTEOSA-N 263.469 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(F)cc1F 692234956 NCXHSXGSUKNWGS-AHIWAGSCSA-N 279.374 4.750 30 10 CJEE CCCCCCCCCN1CCC[C@@H](C)[C@H]1CCCN 693476832 MOEBWQCRBNLJSG-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CCCN 693951525 DCBDLADGHOWXOS-SFHVURJKSA-N 282.516 4.721 30 10 CJEE SCCCCCCCCCN1CCCC2(CC2)C1 695118901 JSZZDFLRHKUVCM-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE CC[C@H](Cc1ccccc1)Nc1ccc(Cl)cc1C#N 695735930 CLBBNLQKZCQCBJ-MRXNPFEDSA-N 284.790 4.645 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@H](CC)CCN 696158645 JSGVMICNVGXTAH-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 710679475 POZXBPWDJJQZIB-WFASDCNBSA-N 257.849 4.714 30 10 CJEE CC(C)[C@@H](/N=C1/NC2(CCCCCC2)CS1)C1CCC1 713254734 NXGPNKDXOHDDCO-OAHLLOKOSA-N 294.508 4.597 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714285878 HOGPWUJRLBMARD-YLQAJVPDSA-N 288.822 4.982 30 10 CJEE C=CC[C@@H](C)Oc1ccc(Cl)cc1[C@H](C)NCCC 715002621 TYDKZZFSELDUEG-OLZOCXBDSA-N 281.827 4.744 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C(F)(F)F)cc1 715706697 TTXBHFPOFHLPCZ-WFASDCNBSA-N 285.353 4.958 30 10 CJEE C=CCCCCC[C@@H](N)c1cscc1C(F)F 717194406 UBTNYYUUJWIGEW-GFCCVEGCSA-N 259.365 4.822 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 723625409 KGQRYQVPGIVPFU-YQQAZPJKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@H](N)CSc2ccccc2C)CC1 724546131 WLKFUIHZWHXIHB-INIZCTEOSA-N 275.461 4.551 30 10 CJEE C=C1CCC(C[C@H](C(=O)O)c2ccccc2Cl)CC1 724580367 JVZGQYHGEMDURH-AWEZNQCLSA-N 278.779 4.645 30 10 CJEE CCCO/N=C(\CC)c1ccc(-c2ccccc2)cc1 821219074 GBXJZZAARLUSGR-VHEBQXMUSA-N 267.372 4.894 30 10 CJEE C=CC[C@H](N[C@H]1CC[C@@H](C)c2ccsc21)c1ccncc1 834588654 DLOUUEHVOKEUQK-COXVUDFISA-N 298.455 4.989 30 10 CJEE C=CCN(C(=O)Nc1ccccc1C(F)(F)CC)C(C)C 880780084 RGLAGDFXUCDMDQ-UHFFFAOYSA-N 296.361 4.617 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](CCC)CC(C)C)C(C)C)c1 1125773737 UQRLHCJWAMAISC-SFHVURJKSA-N 299.458 4.872 30 10 CJEE C=CC[C@@H](C(=O)N1CCC2(CCCCC2)C1)c1ccccc1 1126521704 GAUAFEZMTKKFNS-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCCCCCC1 1130904172 IFTUEZPEIDFOQE-NVXWUHKLSA-N 277.452 4.598 30 10 CJEE C=CCCC1(CNC(=O)c2occc2C(C)C)CCCC1 1130909910 MAYAASZWPPDYJN-UHFFFAOYSA-N 289.419 4.659 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(CCC)c(C)s1 1134514640 DQDRQMDCODFGIS-OAHLLOKOSA-N 291.460 4.580 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@@](C)(CCC)C1)c1ccccc1 1148193208 VGPIBWXOKJNZMB-FXAWDEMLSA-N 299.458 4.775 30 10 CJEE C=C(C)CCN(CCc1cccc(F)c1)C1CCCC1 1168184659 UKOWCVLHADIHSB-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE C=CC[C@@H]1N(C[C@H](C)C(C)(C)C)CCCC1(C)C 1169845923 YLURKRSXAPTHOZ-GJZGRUSLSA-N 251.458 4.735 30 10 CJEE C=CCSc1nc(C)nc2sc(-c3ccccc3)cc12 1188260159 HQKHXLZTSLWBNG-UHFFFAOYSA-N 298.436 4.945 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)CCC(F)(F)F 1205504013 PUXKKGFKQLGMMD-LBPRGKRZSA-N 271.326 4.948 30 10 CJEE C=C1CCC(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 1264851030 AQPYLDOUDLUPGA-RYQLBKOJSA-N 291.479 4.557 30 10 CJEE C=CC[C@@H](C)N1CCC(c2cccc3ccccc23)CC1 1307436653 FATIYPBHNNEFJI-MRXNPFEDSA-N 279.427 4.984 30 10 CJEE C#C[C@H](N[C@@H](CC)Cc1ccccc1)c1ccc(Cl)cc1 1308796916 STLWRJXDIYDPOS-OALUTQOASA-N 297.829 4.625 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1coc2ccccc12 1308875276 BKHTUVRAQWOEHY-CQSZACIVSA-N 271.404 4.556 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 1348643246 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CC[C@@H]1CCC[C@H](Oc2cc(C)ccc2/C(C)=N/O)C1 71150112 UCWDLBDQRUCLRL-VVFWOWLMSA-N 275.392 4.541 30 10 CJEE CCCc1oc(-c2ccc(O[C@@H](C)CC)cc2)cc1C#N 77081557 XVQIEJXZRRKFBG-ZDUSSCGKSA-N 283.371 4.948 30 10 CJEE CCCc1nc(-c2cccc(OCC)c2)sc1CS 82428383 LJJIOPXBWNCYGL-UHFFFAOYSA-N 293.457 4.591 30 10 CJEE CC(C)(C)c1cc(C#N)c2c(Cl)cc(Cl)cc2n1 82468112 OGODQDYHBCUMQW-UHFFFAOYSA-N 279.170 4.711 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccn(C3CCCC3)n2)C1 87972846 CEOFAAJLCQUFDB-CRAIPNDOSA-N 285.435 4.651 30 10 CJEE CC(=O)c1ccc(Oc2c(C)cc(C#N)cc2C)cc1Cl 88155627 SZJPKWDFPNUJOS-UHFFFAOYSA-N 299.757 4.823 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccccc1 94578089 JSCYOHYJZJHPQC-UHFFFAOYSA-N 265.466 4.639 30 10 CJEE CCN(CC1(CS)CCCCC1)c1ccccc1F 94580289 BXFXSULHEYBKIF-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(F)cc1Cl 104008163 RIOZEZUGEYNCHA-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCOC1(CNC2CC2)CCC(C)CC1 110067691 QGLJOAZJOBYSEM-UHFFFAOYSA-N 281.484 4.674 30 10 CJEE C=C[C@H](C)Oc1c([C@H](C)NCCC)ccc2ccccc12 110094102 CLAJJDPZRURKMB-GJZGRUSLSA-N 283.415 4.854 30 10 CJEE CCCCCCCOc1nc(C)cc(C)c1CNCCC 110156992 VVKSVLPULFEATQ-UHFFFAOYSA-N 292.467 4.547 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)C2CC2)C1 110264732 QYSJOEHOBGGVFO-XYJFISCASA-N 290.495 4.851 30 10 CJEE N#Cc1ccc(OC[C@H]2CCCc3ccccc32)c(Cl)c1 111342836 NXEKELGEEVQCJE-OAHLLOKOSA-N 297.785 4.711 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)cccc1F 118713290 GUKGZUSPILORTK-AWEZNQCLSA-N 255.352 4.715 30 10 CJEE C#Cc1cccc(NC2CCC3(CCCC3)CC2)c1 129187294 JEYDOOMUBXPKJA-UHFFFAOYSA-N 253.389 4.583 30 10 CJEE C=CCC[C@@H](C)N[C@H](c1ccccc1)c1cccs1 130523671 ONISQRVBBLFVTF-RHSMWYFYSA-N 271.429 4.782 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CC(C)(C)OC1(C)C 133252754 XOYWCJDTLZWPGC-HUUCEWRRSA-N 269.473 4.529 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nccs2)C1 226712908 HZZBWQWFGZNXFP-XQQFMLRXSA-N 294.489 4.980 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2cc(Cl)c(C)n2)C1 227615429 BFAISNVMRLCVKD-GUTXKFCHSA-N 293.842 4.762 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC 229756610 RMFYQAWMWRVOOS-MRXNPFEDSA-N 299.380 4.972 30 10 CJEE CCCCCCCCCCNc1ccc(OC)c(O)c1 232923702 KGAHCYBWCNNPJW-UHFFFAOYSA-N 279.424 4.953 30 10 CJEE CCC[C@@H](C)COc1ccc(C#N)c2ccccc12 233268851 MEKMUTARAHXQLE-CYBMUJFWSA-N 253.345 4.526 30 10 CJEE C=CCCCCC[C@H](NCC)C1C(C)(C)C1(C)C 233534538 OMIHQMFOFSMSNP-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE COc1c(C(C)(F)F)ccc(C)c1[C@@H](CC#N)C1CC1 260272694 BXZXZVNMTBSHOJ-LBPRGKRZSA-N 279.330 4.523 30 10 CJEE C=CCCOc1cc(SCC=C)ccc1C(=O)CC 261069641 WDDFVBNXJTVGFV-UHFFFAOYSA-N 276.401 4.512 30 10 CJEE COc1ccc(N=C(C)C(C)=Nc2ccc(OC)cc2)cc1 263601757 LMEYMDPIGMZWSV-UHFFFAOYSA-N 296.370 4.589 30 10 CJEE CCCCCCC[C@H](C)N(CCCC)C[C@H]1CCCN1 300188974 AINNEDCHNSVDLD-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CC(C)(C)C#CC[C@@H]1CCCC[C@H]1CNC(C)(C)C 311348042 TYPDCEYNIVNNHM-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CCC[C@@H](COC[C@H](CS)c2ccccc2)C1 311435510 RUIBDQIASIJFFN-BFYDXBDKSA-N 278.461 4.543 30 10 CJEE CC(C)(C)C#CCC(=O)c1ccc(F)c2ccccc12 312225450 DBOKNIGASSJJFA-UHFFFAOYSA-N 268.331 4.601 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(CC#N)c1 313406523 DTMJMEZKGCJFBT-HNNXBMFYSA-N 258.409 4.914 30 10 CJEE C=CCC1(CNC(C)C)CCC(C(C)(C)C)CC1 318145560 ZLPXSAACIXYXKV-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C=C(C)CCC1(CNCCOC)CCC(CCC)CC1 318530362 XAVUFQHNICOYLQ-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE Cc1cc(N[C@@H]2CCCCC[C@@H]2C#N)c(Cl)cc1F 382127794 WVXXNCZSHAERCO-BXUZGUMPSA-N 280.774 4.672 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc(CC)cs2)C1 383114896 ZTWADAVSXKYKSA-DYEKYZERSA-N 294.489 4.906 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)C2CCC(C)(C)CC2)C1 383962160 CHKBZXASWXDWND-KYJSFNMBSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H](CC)N[C@@H](CC)c1cccc(Br)c1 393797740 JNGPGBPACCQIFX-CABCVRRESA-N 296.252 4.845 30 10 CJEE Cc1ccc(Cl)cc1NC[C@H](C#N)C1CCCCC1 397160866 VFDUTFRSMXIDPO-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 400123879 MZTCIDFUMSPFTL-SECBINFHSA-N 286.268 4.774 30 10 CJEE CCN[C@H](C)c1cccc(SCC2(C#N)CCCC2)c1 405164014 HKTGPMBEFOZEFG-CQSZACIVSA-N 288.460 4.533 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cccc(Cl)c1 686681338 PAEOIRFOMVXZSS-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE CCCCCCCC[C@](C)(O)Cc1cccs1 690049255 PTADOGWIGCAGLJ-HNNXBMFYSA-N 254.439 4.792 30 10 CJEE CCCCCCC[C@H](CC(C)(C)C(F)(F)CC)NN 691033056 HKONEQUELUKBDN-CYBMUJFWSA-N 278.431 4.640 30 10 CJEE C=CCSc1ccccc1NC1CCC(OCC)CC1 691197127 PYJZQYAUHZDMJO-UHFFFAOYSA-N 291.460 4.724 30 10 CJEE CC(C)(C)c1cccc(C(=O)[C@H](C#N)c2cccs2)c1 691682894 XWEBYEQQQXXNFP-CQSZACIVSA-N 283.396 4.536 30 10 CJEE CCCCCCCCC[C@H](O)/C=C\c1ccc(N)cc1 696090890 XDWOFQOYFIRFDO-NZHZHZHDSA-N 275.436 4.784 30 10 CJEE Cc1cccc(C#N)c1N1CCC(C)(C)CC(C)(C)C1 699714326 NJJDLLZMMWJJAS-UHFFFAOYSA-N 270.420 4.519 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCCSCC1 701987999 BXLRFZSXUUYVGA-JKSUJKDBSA-N 271.514 4.988 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(C(C)C)CCNC1 702998778 VYAZYDSAEIVYGI-ZWKOTPCHSA-N 283.500 4.514 30 10 CJEE CCC[C@@H]1CCCCN(c2ccc(Cl)cc2C#N)C1 703219100 JVBAEJNZRDMUOC-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE N#Cc1cc(F)cc(NCc2cc3cscc3s2)c1 703287510 XPCYZFOTIWOZTG-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CCC)[C@H]1CC1(C)C 704005344 HUXRDFOEVZMGTM-CABCVRRESA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1nc(C)sc1C 707946474 ZETQKWHBNDTMSD-OAHLLOKOSA-N 282.497 4.770 30 10 CJEE C[C@H](N(C)c1ccc(C#N)c(Cl)c1)[C@]12CCCC[C@H]1C2 709270002 UGFAKWHCRBOYEF-RVSPLBMKSA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CCC(C(C)C)CC1 710593164 ONTLPDLZNLFYTH-UYSNPLJNSA-N 271.876 4.960 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](C)[C@@H]1CCCCO1 711836690 PSDCTJLLELLGMX-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=CC[C@H](C)c1cc(Br)cc(C(C)C)c1O 715710560 SBIWBCXOLSCJMW-JTQLQIEISA-N 283.209 4.958 30 10 CJEE Cc1cc(Oc2cc(Cl)cc(Cl)c2)c(C#N)cc1N 721047236 ZUEMSKCBZJDHTQ-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CCCC[C@@H](NCc1csc(C)n1)c1ccccc1 880388576 MIKVMJRKVLYQAR-QGZVFWFLSA-N 286.444 4.639 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(C3CC3)cc2)CCCC1 1131111751 XXHUTFIODDOIKL-UHFFFAOYSA-N 297.442 4.820 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1 1174891707 VGERDEHKUCFEIB-HNNXBMFYSA-N 283.440 4.813 30 10 CJEE C=CC[C@H]1CCN(CCCc2cccc3ccccc23)C1 1174892061 ZCDSCFBNXLZVET-KRWDZBQOSA-N 279.427 4.670 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccccc2Cl)C1 1205643320 ZFRMJCQHQWWFIE-MCIONIFRSA-N 263.812 4.735 30 10 CJEE CCCC[C@H](NCCC1(C#N)CCCCC1)C1CCC1 1307666299 CNNWJWHDWNEOPJ-KRWDZBQOSA-N 276.468 4.799 30 10 CJEE C=CCC1(NCCSc2cccc(Cl)c2)CCCC1 1307933028 KKCFHKJKJFYSHS-UHFFFAOYSA-N 295.879 4.911 30 10 CJEE C#CCCCCCCNc1ccc(C(F)(F)F)c(OC)c1 1308735014 CIOLJAFMWBTASI-UHFFFAOYSA-N 299.336 4.710 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)c1ccc2c(c1)CCCO2 1308871697 LIVSYBBTCXOKLM-YJBOKZPZSA-N 287.447 4.797 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc(Cl)cc1Cl 1354896248 VMJGTRBPYOYFEI-ZDUSSCGKSA-N 273.159 4.501 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1435289183 OSTUJTJJIJSZSC-BHIYHBOVSA-N 299.458 4.692 30 10 CJEE C=C(C)CCC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 1439687209 SZEMUKGECLIDLS-ROUUACIJSA-N 285.431 4.575 30 10 CJEE C=CCCCN(CC)C/C=C\c1ccc(Cl)cc1 1460899995 MGSUSKOLYCSZPE-FPLPWBNLSA-N 263.812 4.641 30 10 CJEE C=CCN(C/C=C\c1cc(C)c(C)cc1C)C(C)C 1461890047 XPLMWHJVOOKQBD-HJWRWDBZSA-N 257.421 4.521 30 10 CJEE C=CCCCN(CC)Cc1cc(Cl)sc1Cl 1473861771 KLKAJYYBKSCAKT-UHFFFAOYSA-N 278.248 4.843 30 10 CJEE C=CCCC1(CN[C@@H]2CCC[C@H](SC)C2)CCCC1 1474207804 GJRPJRKFNDSIDW-CVEARBPZSA-N 281.509 4.777 30 10 CJEE C=CC(C)(C)CCCNCc1c(OC)ccc2ccccc12 1474256323 LLQOKKVVANDTIC-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C#Cc1ccc(NC[C@H]2CCCC(C)(C)C2)c(Cl)c1 1474285333 YLVFFRWVNFCWPX-AWEZNQCLSA-N 275.823 4.950 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCCC[C@H](C)CC)c1 1528445062 MLWJNDKOZIWUOW-MRXNPFEDSA-N 285.431 4.627 30 10 CJEE C=CCC1(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CCCC1 1537002377 YSPKPTKTUBCFTM-MRXNPFEDSA-N 299.458 4.605 30 10 CJEE C#CCCN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1559977231 PJYQRACZPDKTKL-DLBZAZTESA-N 293.410 4.501 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1oc(-c2ccccc2)nc1C 1560199841 FLTAXSWSGVVPKU-QGZVFWFLSA-N 296.414 4.581 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](C)c1csc2ccccc12 1603633972 ABDYFHSVLHLZSI-ZDUSSCGKSA-N 287.428 4.681 30 10 CJEE C=CCC(C)(C)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1617864298 KENBPNLAKAMPIQ-KRWDZBQOSA-N 299.458 4.631 30 10 CJEE C=CC(C)(C)CCCNCc1cc2ccc(C)cc2[nH]1 1621055988 MRQWREVLQNVGKT-UHFFFAOYSA-N 270.420 4.558 30 10 CJEE C=CC[C@@H]1N(C[C@H]2CCOc3ccccc32)CCCC1(C)C 1621291474 XFIQWUPVMKAQLD-APWZRJJASA-N 299.458 4.619 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 1621518044 VJIVCNNFEZRGNE-MOPGFXCFSA-N 299.458 4.569 30 10 CJEE C=CC(C)(C)CCCNC(=O)/C(C)=C\C1CCC(C)CC1 1625512778 OMNAAHCXHGENOV-PEZBUJJGSA-N 291.479 4.868 30 10 CJEE C=C[C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1 1628302605 UYIJTVBEZATIHN-HNNXBMFYSA-N 285.774 4.557 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c(C)c1 1651319497 ONPVNXNXVCPPIH-NVXWUHKLSA-N 277.839 4.873 30 10 CJEE C=CCC1(CN[C@H](C)Cc2cccc(C)c2)CCCC1 1652462419 FARDOARVAHSOMS-QGZVFWFLSA-N 271.448 4.652 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](Cc1ccccc1)C(C)C 1653107478 UMDKRTBQZZMQDM-OALUTQOASA-N 273.464 4.978 30 10 CJEE C=CCCCN1CC[C@H](C(F)(F)F)c2ccccc21 1653697327 MVDINGUZFUSRKV-ZDUSSCGKSA-N 269.310 4.509 30 10 CJEE C#Cc1ccc(CNc2cc(Cl)ccc2OCCC)cc1 1655886132 RZQJCOCSUHMHIF-UHFFFAOYSA-N 299.801 4.722 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](CCc1ccccc1)C(F)F 1660285915 ORTKTIPRXWHUEL-CVEARBPZSA-N 281.390 4.587 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1668535196 QVUKIWGDUDNUGX-UHFFFAOYSA-N 294.398 4.750 30 10 CJEE C=CCCCCCCCNC(=O)N1C[C@H](CC)CC[C@@H]1C 1683130623 KERIHNPLVWBJFU-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CCN(C(=O)CCCC)C1CCC(C(C)(C)C)CC1 1860017763 SCCRMQBSJYENPK-UHFFFAOYSA-N 279.468 4.796 30 10 CJEE CCCCCCCOc1cccc(NC(=O)C(C)C)c1 1860089011 LIOMWVWKEMTSGO-UHFFFAOYSA-N 277.408 4.630 30 10 CJEE CCC(C)(C)[C@H](C)N(C)c1cccc(SC)c1C#N 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MLCQMHFBTZGLSS-KRWDZBQOSA-N 277.452 4.716 30 10 CJEE C=CC[C@@H]1CCN1[C@H](C)c1ccc2ccccc2c1 1176813462 BGRHWIZAIGIMSM-RDTXWAMCSA-N 251.373 4.551 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccccc1C(C)C 1196407751 WGARMVYXHVZTND-UHFFFAOYSA-N 274.408 4.630 30 10 CJEE C=CCCC[C@H](C)NC[C@H](C)CCc1ccccc1 1201653909 DNRJJHUHBKPJFQ-SJORKVTESA-N 259.437 4.590 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCCC[C@H]1CC 1220835706 QCNBGMUKEMTYPF-IAGOWNOFSA-N 294.483 4.781 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)CCCCCCC 1221270209 AZLDWZNADOQXRP-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(C)CCC 1270144755 PEIMTJWIJDVHIP-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C/C(=C\C)CC)c1ccccc1 1295331478 ZRUDBLSDZGFMGW-VRUXJZOXSA-N 283.415 4.723 30 10 CJEE C=CCCCCSc1nnc(C)n1[C@@H]1CCC[C@@H](C)C1 1307325789 AXSPZMVSCGSKSE-UKRRQHHQSA-N 293.480 4.786 30 10 CJEE C=CCC[C@@H](CC)NCCn1ccc2cc(Cl)ccc21 1308752099 UFPFPYKWLUKESS-MRXNPFEDSA-N 290.838 4.629 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CC(CC)CC 1352662362 WDIAFWKIHQXDGD-UHFFFAOYSA-N 299.867 4.742 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc2ccn(CCC)c2c1 1354325745 AYZLBKGFEWXPHD-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE CCC(CC)[C@@H](C)C(=O)Nc1cc2ccccc2cc1C#N 1436722091 FWCUSUPEGWHFKY-CYBMUJFWSA-N 294.398 4.722 30 10 CJEE C#CCCCCCC(=O)N[C@H](CCCCC)C(C)(C)C 1456343094 OZQPAYFHNJQKHV-MRXNPFEDSA-N 279.468 4.681 30 10 CJEE CCCCCCCCCNCc1nc(C(C)(C)C)co1 1461007249 NZCWNLWTRZLWBN-UHFFFAOYSA-N 280.456 4.812 30 10 CJEE C=CCN(C[C@H](CC)c1ccccc1)c1ccccc1 1474452609 GHFCKWIROMOEQM-KRWDZBQOSA-N 265.400 4.873 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)s1 1521824405 LWTUQPVBIJJAQQ-MNOVXSKESA-N 285.840 4.571 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](C)CCCC(C)C)c1ccccc1 1522172511 GPNBELBVTAYLJS-WMZOPIPTSA-N 287.447 4.677 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1cccc(-c2cccc(C)c2)c1 1524815506 PMVBUYJMHOXPIZ-LJQANCHMSA-N 293.410 4.747 30 10 CJEE C=CCCCC(=O)N1CCC[C@@]1(CC)CCc1ccccc1 1533700345 DBDKWNMTERFVPM-FQEVSTJZSA-N 299.458 4.747 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2ccccc2)CCCCC1 1535107840 FJRCOQRZDSYKRU-HNNXBMFYSA-N 272.388 4.817 30 10 CJEE C#C[C@H](NC(=O)[C@H](C)CCCCCCCC)C(C)(C)C 1535510412 QJSWXRKZGCOSLM-CVEARBPZSA-N 279.468 4.537 30 10 CJEE C=CC1(CC(=O)N2CCC3(CCCCC3)C2)CCCCC1 1539098555 BZXSWJMVIPGXMN-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE CCCCCCCN(CCCC)CC(F)(F)F 1559539036 DCDFBRAREVBKPI-UHFFFAOYSA-N 253.352 4.621 30 10 CJEE C=CCCCCCN1CCC[C@]2(C=Cc3ccccc3O2)C1 1560185059 MJJRBSLMGAUHRV-FQEVSTJZSA-N 297.442 4.673 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(C(F)F)cc1 1560199839 FLQKFDSMYNOZSL-OAHLLOKOSA-N 265.347 4.555 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cc2cccc(C)c2s1 1585792222 BEOFWWMJZVLDDE-HNNXBMFYSA-N 299.439 4.781 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C1/CC[C@H](C)C1)c1ccccc1 1596613737 ZZMTUQBSXRBFNA-CDWZDBQMSA-N 297.442 4.947 30 10 CJEE C=CC(C)(C)Nc1nc(-c2ccccc2)nc2ccccc12 1613052152 IGFDPNXYLHEWOU-UHFFFAOYSA-N 289.382 4.673 30 10 CJEE CCCCCCCCCN1CCc2cc(O)ccc2C1 1620684585 OBAFXYDCGSPSLB-UHFFFAOYSA-N 275.436 4.501 30 10 CJEE C#Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1 1620716575 LOOAILSPPHXXKM-IBGZPJMESA-N 277.411 4.545 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CCCCC1 1623985672 XLTHCFCRXLHXIE-DLBZAZTESA-N 291.479 4.652 30 10 CJEE C=CCCCCN1C[C@H](c2ccccc2)c2ccccc21 1645456131 BHPMFHTWPNMEJO-LJQANCHMSA-N 277.411 4.995 30 10 CJEE C#Cc1cccc(CN[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 1652667065 DYTDLGYMVACSIA-CABCVRRESA-N 297.829 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1ccc(C)cc1 1652806349 MDJROMIBKAGXPT-UHOSZYNNSA-N 271.448 4.823 30 10 CJEE C=C(C)CN[C@H](CCc1ccccc1)c1ccccc1 1653054936 AHPDKZVKCLFVON-LJQANCHMSA-N 265.400 4.526 30 10 CJEE C=CC[C@H]1CCCN([C@@H](CC)c2ccc(F)cc2F)C1 1654177556 DYXKGEBOGDWEPI-GUYCJALGSA-N 279.374 4.704 30 10 CJEE C#CCCCCCCN[C@@H](c1cccc(C)c1)C(C)C 1654462720 AHHMMRBVYTZJJR-LJQANCHMSA-N 271.448 4.865 30 10 CJEE C#Cc1ccc(CN[C@H](CCC)c2ccc(F)cc2F)cc1 1661914686 GIMYLYRTNPNUCS-LJQANCHMSA-N 299.364 4.577 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC(C3CCC3)CC2)c1 1681067117 MPKOISKMEDWWGF-UHFFFAOYSA-N 298.430 4.764 30 10 CJEE C=C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C 1858161239 NNIYOJYVEHOFAU-UHFFFAOYSA-N 291.700 4.510 30 10 CJEE C=C(C)CSc1nc(-c2cccs2)cs1 1860807884 XWRMWMUODHXCFD-UHFFFAOYSA-N 253.417 4.540 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)C1(C(C)(C)C)CCC1 1876770764 WCHPGRWSTRVBSO-HNNXBMFYSA-N 263.469 4.621 30 10 CJEE CCC1CCC(C[C@]2(C#N)CCCOC2(C)C)CC1 1878361498 WHOWSHDOPLZXAZ-DQPZFDDXSA-N 263.425 4.692 30 10 CJEE CCC(C)(C)[C@H](C)N(C)c1cc(Cl)c(F)cc1C#N 1878528041 RICCQHUCKRNOKG-JTQLQIEISA-N 282.790 4.612 30 10 CJEE CCCCC[C@H](CC)Nc1cc(C#N)cc(F)c1C 1879220856 AJQCVTKJBUHOOL-AWEZNQCLSA-N 262.372 4.777 30 10 CJEE C[C@@H](N)c1ccc(-c2ccc(Cl)c(C#N)c2)cc1Cl 1893256027 NBBFZBLRWCTWHX-SECBINFHSA-N 291.181 4.552 30 10 CJEE CC(C)C[C@@H](CS)CSCc1ccc(Cl)o1 1905524449 LTAZYIZCLHVMHT-JTQLQIEISA-N 278.870 4.758 30 10 CJEE CN(CC1(C#N)CCCC1)[C@H]1CCC2(CCCCC2)C1 1916126367 QJNXZWRKYGXRMH-INIZCTEOSA-N 274.452 4.505 30 10 CJEE CCCCCCCCC[C@@]1(C(=O)O)C=CCCC1 1916598053 BPFVKMZDMZAQHJ-MRXNPFEDSA-N 252.398 4.938 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(C)cc(OC)c1C 1919512447 ZGAGFBIPNNYMLL-SFHVURJKSA-N 277.452 4.846 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1ccc(F)c(F)c1 1919915422 ZERYALRIRWYACK-MRXNPFEDSA-N 270.363 4.619 30 10 CJEE CC1([C@@H](O)[C@]2(C#N)CCCC23CCC3)CCCCCC1 1921263433 DPAGCWBGSAWKIJ-CRAIPNDOSA-N 275.436 4.572 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@@]1(C=O)CCCC12CCC2 1921620858 OVGLZXGNAUXDKO-YIOZNXECSA-N 274.448 4.988 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1ccccc1Cl)C1CCCCC1 1924100391 WTEHETKGRRBEQT-SWLSCSKDSA-N 289.806 4.733 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)ccc1Cl 1925533686 JFLXHTIAYNWGRQ-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCNCc1cc(Cl)c(Cl)s1 1934071763 LLBUDJPRIONFLB-UHFFFAOYSA-N 264.221 4.501 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H]1CCSC1 1942290023 DPJVYCNZWVOGEC-CABCVRRESA-N 258.471 4.631 30 10 CJEE CCCCCCCCCC(=O)c1ncc(C)s1 1945285420 LTRBYCRFJIFYSV-UHFFFAOYSA-N 253.411 4.775 30 10 CJEE C=CCCCCC[C@](N)(CC)CCC(F)(F)F 1948979973 CLTZHUGLRLGNEB-GFCCVEGCSA-N 251.336 4.573 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1CCC(C)CC1 1962781599 GUXIOUHDFMUDQS-UHFFFAOYSA-N 271.448 4.891 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](COc2cc(Cl)ccc2C#N)C1 1963642054 RDQKYZGBZPBMNZ-ITGUQSILSA-N 277.795 4.663 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 1964108421 NTNFKOOORVAZQO-HZPDHXFCSA-N 271.448 4.961 30 10 CJEE CCCCCCCCCCN1C2CCC1([C@H](C)O)CC2 1966579173 LAUKNEOKXOGVTK-AOCRQIFASA-N 281.484 4.505 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(Cl)ns1 1979677750 SUUZHBVDKNOHEF-SNVBAGLBSA-N 260.834 4.547 30 10 CJEE C=CCCCC[C@@H](N)c1ccc(Br)c(C)c1 1984518580 YSBHIINTCOWWHH-CQSZACIVSA-N 282.225 4.504 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1scc(Cl)c1Cl 1993498154 MOEOXXASYSVOJG-BQBZGAKWSA-N 273.184 4.594 30 10 CJEE CC=C(CC)C(=O)c1c(Cl)ccc(Cl)c1F 1994345057 HUUXPRYTYZQMBF-UHFFFAOYSA-N 261.123 4.672 30 10 CJEE C=C(C)[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2000233125 ILDCKDAKQASEEX-AWEZNQCLSA-N 263.793 4.644 30 10 CJEE CC[C@@](C#N)(Cc1ccc(Br)cc1F)C(C)C 2012414972 ZUFWKNRIDUBFRN-AWEZNQCLSA-N 298.199 4.707 30 10 CJEE C=CCCCCCCC(=O)[C@H]1CCCSCC1 2026020296 WVSOXCGOGYXANR-AWEZNQCLSA-N 254.439 4.615 30 10 CJEE C=CCCCCCCCCNCCSCCC 2026312462 HSJVMCLWWCYIMH-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE N#C[C@]1(C[C@@H]2CCCCC2(F)F)CCC(F)(F)C1 2030358687 AALGRMGPDBSXPP-QWRGUYRKSA-N 263.278 4.531 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1cc(Cl)ccc1F 2032105525 VIEIUIYKQPDRAL-HNNXBMFYSA-N 265.759 4.742 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1F 2034456977 RIHUGLMDMOBNSO-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE C=C([C@@H](NCC)c1ncc(Cl)cc1Cl)C(C)(C)C 2035436061 VXAFMJGBDUXFRO-GFCCVEGCSA-N 287.234 4.641 30 10 CJEE C=CCCC[C@@H](C)NCc1cscc1C(F)(F)F 2039463612 ISJZPMJPFFHYCP-SNVBAGLBSA-N 277.355 4.601 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1csc2ccccc12 2040528281 BREILHAAIFCXMF-MLGOLLRUSA-N 259.418 4.764 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@H](CC(C)C)C(C)C 2040846327 NSJDYURKJKOTCK-ZACQAIPSSA-N 251.458 4.639 30 10 CJEE C=CCC[C@@H](Cc1ccc(C)cc1Cl)NCCC 2043192632 DHPZZHYJSFUKFL-HNNXBMFYSA-N 265.828 4.525 30 10 CJEE C=CC1(CC2(C(=O)O)CCCCCCC2)CCC1 2049034105 YFNMZVMJKBDZHQ-UHFFFAOYSA-N 250.382 4.548 30 10 CJEE C=C(C[C@H](NCC)c1cccc(Cl)c1)C(C)(C)C 2050512010 AJMJOCYWUXVWJV-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE CCC1(CC)CCCN(CC[C@@H](C)CCS)CC1 2051602249 MZCQTQYIIAFLFV-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE CCCCCCCCNCC1C[C@@H]2CCC[C@H]2C1 2063415853 RFGRGOWGTKKFBV-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE CC1(C)C[C@H]1CCCC1(C#N)CCC(F)(F)CC1 2065261373 XFBBFCFCOAWZDS-GFCCVEGCSA-N 255.352 4.922 30 10 CJEE CCCCCCCC[C@H](CC#C[Si](C)(C)C)NC 2067286452 YZCPONIIRMAIDY-MRXNPFEDSA-N 267.533 4.596 30 10 CJEE CCCCCCCCCCC[C@H](N)C[C@H]1C[C@H]1F 2068074361 PLDJOVONXXCMNF-HRCADAONSA-N 257.437 4.983 30 10 CJEE CCCCCCCCCC[C@H]1CC(F)(F)C[C@H]1N 2069424326 PMIPHHCDAQWQEV-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C=CCCC[C@H](CC1CCC(CC)CC1)NCC 2072790472 GREBMJCCXDVMEF-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CC#CCCC[C@@H](NCC)[C@H](CCC)CC(C)C 2073672414 SHXASSWNDVSIJH-IAGOWNOFSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCCN1C(=O)C[C@]1(C)CC 2075040860 PWESDHCVLBRHAV-INIZCTEOSA-N 253.430 4.528 30 10 CJEE CCCCCCC[C@H](NC)c1c(C)cccc1F 2076040880 MDIXWQCUOOMSRQ-HNNXBMFYSA-N 251.389 4.755 30 10 CJEE CCCCCCCC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCC 2076511352 CVBXLGAOPKTUDG-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@H]1C[C@@H]1C1CCCCCC1 2079515419 NTWRXHYXVAMCEZ-PMPSAXMXSA-N 269.860 4.714 30 10 CJEE CCCCCCCCC[C@H](O)C1(P(C)(C)=O)CC1 2083914805 TZTUKIYCCXESKK-AWEZNQCLSA-N 274.385 4.643 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)c(F)cc1C 2083943124 UTSIWEPPPZVSAA-OAHLLOKOSA-N 255.352 4.634 30 10 CJEE C=C[C@](N)(c1ccc(-c2cccs2)s1)C(C)(C)C 2085141183 MUEFJFYOMRXCSK-HNNXBMFYSA-N 277.458 4.863 30 10 CJEE C=CCCCCCCCCN=S1(=O)CCCCC1 2086232949 HOTHYFSVVGYYAK-UHFFFAOYSA-N 271.470 4.555 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@H]2CC[C@H]21 2086260006 VBSDQEXZHHUKMP-ZACQAIPSSA-N 250.426 4.844 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1CCCOCC1 2089234224 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2234049072 SKPGATOAZLLOQD-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](O)c1scc(C)c1C 2234223011 PHSVGCXUHXTKCS-HZPDHXFCSA-N 295.492 4.513 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CCCC(C)(C)C1 2235524447 QARPRJDYOKSBRH-DLBZAZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCO[C@@H](C)C[C@@H]1CCCCCN1 2235524733 STHBBGDQTCHAOP-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@@H](N)c1c(F)cccc1OC 2235538604 JKSYWHNURBZFCM-OAHLLOKOSA-N 279.399 4.751 30 10 CJEE CCCCCCCCCC[C@@H](C#CCOC)NCCC 2235925215 MCRIDRDLYJGGJY-SFHVURJKSA-N 281.484 4.535 30 10 CJEE CC1(C[C@]2(C#N)CCOC23CCCC3)CC2(CCC2)C1 2236601232 NKMLIRGMSUFETG-KRWDZBQOSA-N 273.420 4.590 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1OCCCCC1CC1 2239098525 MCKQTAMAZJPWEL-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE N#CCCN(CCCCCCCC1CC1)CC1CCC1 2239414022 WOLLAHGEBFJRNF-UHFFFAOYSA-N 276.468 4.753 30 10 CJEE C=C[C@H](CCCCC)OCc1cc(CNC2CC2)cs1 2239497995 CSJHAIGXSKRGJC-MRXNPFEDSA-N 293.476 4.652 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CC)[C@@H](O)c1ccccc1 2239579726 VRASLPMNDUREIV-SQNIBIBYSA-N 276.420 4.650 30 10 CJEE C=CCCCCCCCN1C[C@@H]2CCC[C@H](C1)C2(F)F 2239798770 YVSPLRFGOYCWHO-IYBDPMFKSA-N 285.422 4.880 30 10 CJEE C=CCC[C@H](C)Oc1ccc(CNC2CCC2)cc1Cl 2240209942 QORXFCRUESVDML-ZDUSSCGKSA-N 293.838 4.716 30 10 CJEE CCCCCCCC[C@H](C)N1CCCC[C@@H]1CCNC 2240571347 CISUGQYUYRILTC-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1COC2(CCCC2)C1 2240639398 FAHJQFNBMZWJFY-DLBZAZTESA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1C=CCCC1 2240640587 RRINHJJIXSUASU-WMZOPIPTSA-N 280.452 4.804 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1sccc1CC 2248008028 VTFLDMDMNCGZQU-OCCSQVGLSA-N 251.439 4.563 30 10 CJEE C=CCCCS[C@H](c1ccc(Cl)s1)[C@H](N)CC 2250030961 WSKRRBDGDFTFHO-MFKMUULPSA-N 289.897 4.879 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCC2(C)C)CCC1 2251396501 CJQGXAKRRZRYEL-OAHLLOKOSA-N 251.439 4.630 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1scc(C)c1Cl 2260979658 OCKKVNFMAAWLPI-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H](C)CC 2262641311 DTESLFXUUQNKIE-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@H](Cc1cnsc1)NCC 2264360432 SNOLWPXUNUUEFL-INIZCTEOSA-N 282.497 4.804 30 10 CJEE C=C1CC([C@H](CCCCC[C@@H]2C[C@@H]2C)NCCC)C1 2269400315 FWQVCZIWESXYKT-JZXOWHBKSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCCc2sccc21 2271785162 KIIRQMUAFNDAHZ-ZBFHGGJFSA-N 277.477 4.893 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H](CC)c1ccccc1 2271786103 UCROQOVCSRGEIK-MSOLQXFVSA-N 259.437 4.905 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(C(C)(F)F)cc1 2271834921 LNTHLLJESPFUON-OAHLLOKOSA-N 268.347 4.968 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(N)C#CC1CCCCC1 2273997717 ZVWIEZUANDSTBC-ROUUACIJSA-N 261.453 4.504 30 10 CJEE CC1(C)CCC[C@H]([C@@](C)(N)CC#CC2CCCC2)C1 2274181103 NDCXKKSMKPZDDS-WMZOPIPTSA-N 261.453 4.504 30 10 CJEE CCCCCC#CC[C@@H]1C(=O)C(C)(C)CCC1(C)C 2274554245 ZAWWSNJJHZMPDK-OAHLLOKOSA-N 262.437 4.992 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)[C@@H](CC)CCC 2274982926 ADBITYQZYJKHJG-LSDHHAIUSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCC(C)(C)C1 2277227089 QJZXBFKIEHNTKI-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C1(C)CC1 2277378506 VDKKLTFSGAIXJQ-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCCCCCCCCN1CC(F)(F)C2(CC2)C1 2277502316 KTYBHSPTUWLLQL-UHFFFAOYSA-N 271.395 4.634 30 10 CJEE CCCCCCCCC[C@@](C)(N)C=C1CCOCC1 2278173400 JZDGUWMRDLRLMN-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](OC)C(C)C 2278246195 ILUDWOIVHBWDNL-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccc2ncsc2c1 2278462437 UZOXHEKJZIMXJS-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE CC1(C)C[C@](C#N)(CC[C@H]2CCCCC23CC3)CCO1 2279739811 XTCJFSFYVDXRPQ-WBVHZDCISA-N 275.436 4.836 30 10 CJEE CCCCCCCCCCCCO[C@@]12CCNC[C@H]1C2 2279986808 YZLUMEQNVGLJPR-QZTJIDSGSA-N 281.484 4.676 30 10 CJEE CCCc1ccc(CC2(C#N)C[C@@H]3CC[C@H](C2)S3)cc1 2283527453 FPJJEIKDPOGZPM-JWTNVVGKSA-N 285.456 4.750 30 10 CJEE CO[C@H](CS[C@@H]1C[C@@H](C)CC[C@@H]1C#N)C1CCCCC1 2283993503 MWXIDPOFAMTPKQ-RKTXRCNFSA-N 295.492 4.643 30 10 CJEE CC(C)[C@@H]1CC[C@@H](CN)[C@H](CC=CC#CC(C)(C)C)C1 2284084057 NHQLDXXTPLIRKN-KURKYZTESA-N 275.480 4.629 30 10 CJEE CC(C)(C)C#CC=CCc1ccc2c(c1)OCC2(C)C 2284093014 TWNJFZDEMOFYRK-UHFFFAOYSA-N 268.400 4.505 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC)c(C)c1C 2284531206 NAUYPVIJSCJNOC-KRWDZBQOSA-N 277.452 4.933 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1COC2(CCC2)C1 2284728568 OWIDQJLRGZNJBU-DLBZAZTESA-N 282.468 4.837 30 10 CJEE C[C@H]1C[C@H]1CCCCCn1ccc2cc(C#N)ccc21 2284945146 IYJLWBGFSOWISO-GOEBONIOSA-N 266.388 4.729 30 10 CJEE C=C(CNc1cc(COC)ccc1Cl)c1ccccc1 2285116309 BMXSOJWHNVIJTJ-UHFFFAOYSA-N 287.790 4.612 30 10 CJEE C=CCCCCCCCSCc1ccc(C(=O)OC)o1 2287070313 FEUYZCBQTBMFAT-UHFFFAOYSA-N 296.432 4.826 30 10 CJEE C=CCCCCCCCSC[C@H]1CC[C@H](C(=O)OC)C1 2287076020 QEEPBWNOEMITDL-HOTGVXAUSA-N 298.492 4.836 30 10 CJEE CCc1ccc(C#N)c(SC[C@@H](CC(C)(C)C)OC)c1 2287326814 OHZKRQXVFMXFDX-OAHLLOKOSA-N 291.460 4.664 30 10 CJEE CO[C@@H](CC(C)(C)C)CC1(C=O)CCC(C(C)C)CC1 2287330546 LOCNLOIRRSTFQD-PQUAAJSLSA-N 282.468 4.859 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)C[C@H](OC)C1(C)C 2287468386 UGFPELRKGFGHAT-WMZOPIPTSA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]12C[C@@H](CO1)C2(C)C 2288961859 SOXFAYBSBREIIL-SOLBZPMBSA-N 281.484 4.530 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1sc(C)c(C)c1C 2289685074 BLQVKCIZRCJAQT-QGZVFWFLSA-N 289.488 4.908 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@]12CCCC[C@@H]1C2 2289788499 CJIQSHDYOZFTDO-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(C(F)F)cs1 2289845211 LIDJFYSWGRPALI-CQSZACIVSA-N 297.414 4.920 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC(C)(C)C[C@H]1C 2290916968 DVWUENPFZRXBTL-PBHICJAKSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@H]1C)OCC(=O)O 2291320041 NPDJGKRVMMBTHZ-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCCC12CCCCC2 2294176587 HGRGCHGSXQEWCH-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1C(C)=CCC[C@H]1C 2294354676 GXASORUHQXZMFH-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC2CC1C2 2294452089 GVATXYGFJZECFA-DAWZGUTISA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCC[C@@H]1CNC 2295519465 HBMSELVNNYLBCT-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC12COC(C)(C1)C2 2295591858 JUCNUSDNKDHQEW-WWDZGPRUSA-N 282.468 4.837 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1COC(C)(C)C1 2295674305 PVTVSKFKAMUPLW-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE Cc1ccc(C(=O)C=CNc2cccc(Cl)c2)cc1C 2296876410 RZWKYWNROGMDPL-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1cc(Cl)cc(Cl)c1 2298824751 SCZAFFRJTJPHPJ-TVQRCGJNSA-N 290.259 4.691 30 10 CJEE Cc1ccc(CSCC2(CS)CC(C)(C)C2)o1 2304517986 WQCWDRYPBWBGGL-UHFFFAOYSA-N 270.463 4.557 30 10 CJEE C=CCN(CC=C)N=Nc1cc(Cl)cc(Cl)c1 2318775849 MSQIJMNJIFRGSC-UHFFFAOYSA-N 270.163 4.666 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1csc2ccccc12 2319261048 LNUFNDJRJOUOPO-CZUORRHYSA-N 257.402 4.518 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1C(C)(C)C1(C)C 2321107830 JSUBHNXAADMAEV-CQSZACIVSA-N 251.458 4.639 30 10 CJEE C=CCC[C@H](CC[C@H]1CCC(C)(C)C1)NCCC 2321631576 BBLPSNSUBWFLTI-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CC1CCC(C=O)(CC[C@H]2CCC(C)(C)C2)CC1 2321639747 NWVOHVZONSTJRH-ISXOHVOVSA-N 250.426 4.988 30 10 CJEE COc1ccc(SCC2(CS)CC(C)(C)C2)cc1 2321754675 HECQNDLSGHNUCU-UHFFFAOYSA-N 282.474 4.524 30 10 CJEE CCCCCCCCNC[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330171600 NBZAROKZNKNTET-KKUMJFAQSA-N 273.411 4.618 30 10 CJEE C=C([C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC)C(C)(C)C 2330814130 QXPJSVBVVCCMEZ-LTIDMASMSA-N 263.469 4.783 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2333328733 ZNLDADYMJQTBDA-YJNKXOJESA-N 272.379 4.555 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)[C@H]1CCC1(C)C 2335099429 WICFJDOXZKIARX-CVEARBPZSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)SCc1ccc(C)nc1NCC 2335100054 ZZMMVQHMLPAKTP-UHFFFAOYSA-N 276.449 4.576 30 10 CJEE FC(F)(F)Cc1ccc(OCCCCCCS)cc1 2336803300 VTPNHDYMVDWXQE-UHFFFAOYSA-N 292.366 4.660 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)(C)C)CC=CCC1 2338729391 FTLYEHWCXVZZGV-GOSISDBHSA-N 261.453 4.869 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCc2sc(Cl)cc21 2339963553 HVIQCRZFEZUZHI-AWEZNQCLSA-N 287.815 4.872 30 10 CJEE C[C@@H](CS)COC[C@@H](c1ccccc1)C1CCCC1 2342481835 KEKGYPGGZLCICH-PBHICJAKSA-N 278.461 4.543 30 10 CJEE N#C[C@]1(CC[C@H]2CC[C@@H]2C2CC2)CCCC(F)(F)C1 2342553382 CGICNBMKKLSCCX-KFWWJZLASA-N 267.363 4.922 30 10 CJEE C=C[C@H](CCCCC)OC[C@@](C)(CC)CNC(C)C 2343158940 QRIIQZWWBADTOD-SJORKVTESA-N 269.473 4.552 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@@H]1C1CCCC1)NCC 2344344781 UFZVEYYFTSREOO-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCCCCOC(C)(C)C 2344369282 NZYMUJJJZCIVEZ-WBVHZDCISA-N 269.473 4.682 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCCC(F)(F)C(F)(F)F 2344465653 ZEWJOGXZEVWHNA-MNOVXSKESA-N 288.300 4.708 30 10 CJEE C#Cc1ncccc1N[C@@H](C)c1ccc(Cl)cc1Cl 2346049288 CKBGHAHZTLZTON-JTQLQIEISA-N 291.181 4.543 30 10 CJEE O=C(C#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2349862023 MGVUZUUFYVNPRJ-UHFFFAOYSA-N 299.172 4.899 30 10 CJEE C[C@@H](CCC(F)(F)F)N(C)C[C@](C)(CS)C(C)(C)C 2352067466 FNDZHYQAAILHOZ-WCQYABFASA-N 299.446 4.631 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCCCC12CC2 2352098772 LPENSSWIAPKILN-GDBMZVCRSA-N 283.525 4.623 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)[C@H]1CC12CCC2 2360205973 RUWDAWYQEXOUAX-IAGOWNOFSA-N 293.520 4.799 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCc2ccccc2[C@H]1N 2360336522 KXJAIXKEVPFNKS-ZWKOTPCHSA-N 287.472 4.645 30 10 CJEE C[C@@H]1CC=CC[C@H]1COc1ccc(C#N)c(C(F)(F)F)c1 36805627 WQUZCLSMQWYXQA-YPMHNXCESA-N 295.304 4.558 30 10 CJEE Cc1cc(C)c(N[C@@H](C)c2ccc(C#N)cc2)c(C)c1 37763557 LKAOKGQJDUCJTR-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CCCN[C@H](CC)c1cccc(-c2cccc(C#N)c2)c1 38070601 PADFEHUWSVIZRD-LJQANCHMSA-N 278.399 4.676 30 10 CJEE CC(C)[C@H](C#N)c1ccc(-c2ccc(F)cc2)cc1 41323387 GYIMHSDDTSOMTM-KRWDZBQOSA-N 253.320 4.756 30 10 CJEE C[C@@H](Nc1cccc(Cl)c1C#N)c1ccc(F)cc1 48935888 DWKRXGSIGMZOTR-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 49541763 JCEFKQIXGXTPET-CJNGLKHVSA-N 284.428 4.812 30 10 CJEE N#Cc1c(Cl)cccc1Sc1ccc(F)c(F)c1 49900905 YOVUJYPDIBVKFT-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1 52857947 BJKPXXXXKRSSJF-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C[C@H](C#N)[C@@H]1CCCC[C@@H]1c1ccc(Br)cc1 62707329 BAHXXGNZCKDCPE-BYCMXARLSA-N 292.220 4.883 30 10 CJEE Cc1cccc(Sc2cc(C#N)c3ccccc3n2)c1 68796812 YKNYMTLKSJJPHD-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 71110462 YQILOLNFNOSYOK-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE CCc1ccc(-c2nc(C3CC3)c(CS)s2)cc1 82436798 GLDPMHYLWAPSEC-UHFFFAOYSA-N 275.442 4.680 30 10 CJEE N#C[C@H]1CCC[C@@H]1Sc1ccc(Cl)c(Cl)c1 88304068 CUNIRGOTVJMYGX-PELKAZGASA-N 272.200 4.778 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@@H](C)c2ccccc2)CC1 91884771 MWIYDNQLMPBOCU-YQBZFSLMSA-N 285.431 4.651 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cccc(C3CC3)c2)c1 94521327 LJTDVFMLWRTDIS-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CCCC(CS)(CCC)Cn1ncc2ccccc21 94587409 MCKVSSVIKCJDKA-UHFFFAOYSA-N 276.449 4.553 30 10 CJEE CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 110247475 RYCNPHRDZXMWFU-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCCCCCCN1CCC([C@@H](C)N)CC1 111612355 YBSCAMYCXHJRTJ-GOSISDBHSA-N 296.543 4.967 30 10 CJEE CCCCCCCC[C@@H](O)c1cnn(-c2ccccc2)c1 115651534 RADLWNYZMQUZAB-GOSISDBHSA-N 286.419 4.656 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCN(CC)CC1 115654721 XPANMNQBESTOTL-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCCCCN1C[C@H]2[C@@H](O)CC[C@H]2C1 125417912 OTCWMWYBDDMGML-OTWHNJEPSA-N 295.511 4.610 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1Cc2ccccc2O1 126059656 QPDDFFHZWKKDSE-HKUYNNGSSA-N 290.447 4.882 30 10 CJEE CCCCCCCCCCOC(=O)CCCCCCN 136467354 PNTIHXINTRLWNU-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE CCCCCCCCCCNCCCN1CCCCC1 157668689 TVRZOSXTIDVIAP-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1OCC[C@H]1C 157910105 VHVXRTICXGRUCR-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=C[C@@H](C)N[C@H](c1ccccc1)c1ccc(C)cc1C 159755942 AVDKWJXMHQYOMQ-VQIMIIECSA-N 265.400 4.557 30 10 CJEE CCCCCCCCNc1cccc(NCC)c1[N+](=O)[O-] 159812033 HKFMYLQQDJFCNY-UHFFFAOYSA-N 293.411 4.799 30 10 CJEE CCCCCCCCCN1CCc2cc([C@H](C)N)ccc21 162087268 KJOFHUMERBNIPW-INIZCTEOSA-N 288.479 4.819 30 10 CJEE CC(C)CCC[C@H](C)NCc1ccc(C#N)cc1Cl 162652975 RNAXMZJAHYUMHY-ZDUSSCGKSA-N 278.827 4.516 30 10 CJEE CCCCCCCC[C@@H](Cc1ccn([C@H](C)CC)n1)NC 168396808 FCXBBTXWJKCWFJ-SJORKVTESA-N 293.499 4.735 30 10 CJEE CCCc1nc2ccccc2n1[C@H]1CCCCC[C@H]1C#N 168799966 KVAFCXRCRSSCNT-HOCLYGCPSA-N 281.403 4.634 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1cc2ccccc2s1 169180411 NFDONNIJDQFZGH-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCCCCC2)C1 223593778 UKBRQMBZBCACRI-NUJGCVRESA-N 276.468 4.750 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC[C@@H](C)[C@@H](C)C1 227288710 HXQOQOORARKSRV-HZSPNIEDSA-N 258.471 4.564 30 10 CJEE C#C[C@H](CCC)N[C@@H](CCCCC)c1ccccc1 229928455 KAUWNXLKBIJZCA-MSOLQXFVSA-N 257.421 4.700 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(C)nc(C)c1 231663080 HRTSMBRBQCFAKU-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE CCCCCCC[C@@H](N)c1cccc2ccncc12 232032766 CHHCNVCCAKAYOA-QGZVFWFLSA-N 256.393 4.595 30 10 CJEE CCCCCCCCC[C@H]1C[C@H](NCCC)CCO1 232946659 RMPCJZSLNHLHMB-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H]1CNCC(CC)(CC)O1 232955764 BWUHTEXZCGIHBS-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE Cc1cc(Cl)ccc1[C@H](C#N)NC1CCCCCC1 235847178 SSEUISIWEFQGMO-INIZCTEOSA-N 276.811 4.526 30 10 CJEE C=CCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 236237421 SKDUQUHKKVDXSH-AWEZNQCLSA-N 287.234 4.634 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1/C=C/C(C)=O 238734955 GWLGWWOKIBLQJF-BGXOTFEXSA-N 260.421 4.930 30 10 CJEE biogenic CCCCCCCCCN1C[C@H](CCC)NC[C@H]1CC 250797535 BIAAYEMSBGFCQD-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]3CCCC[C@@H]32)C1 252372695 LAMIDBSEJLYUNV-MTHXSQLBSA-N 288.479 4.750 30 10 CJEE N#CC[C@H]1CCc2c(F)cccc2C12CCCCC2 260497416 HCQCRUUGKWFSQS-CYBMUJFWSA-N 257.352 4.504 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@H](C#N)Nc2cccc(Cl)c2)C1 300079686 WLBXNWSGOISJKR-GHJWDPDVSA-N 274.795 4.636 30 10 CJEE C#C[C@@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C(C)C 305932584 KAMDCQWRILICBZ-CABCVRRESA-N 284.230 4.692 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 308061252 ZWKSNTWLFJIOBL-BXUZGUMPSA-N 295.785 4.728 30 10 CJEE C=CCCC[C@H](NC)c1cccc(OCc2ccccc2)c1 309793820 HMEUAKVRZBQGHS-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE N#Cc1cc(Cl)cc(Oc2cc(Cl)ccc2C#N)c1 312033860 YMBOQJMCXJGTKR-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2c(Cl)cccc2[N+](=O)[O-])C1 312226484 CJNAXCJORGIVKY-ABAIWWIYSA-N 292.766 4.610 30 10 CJEE C=CCOc1ccc(CNc2ccccc2OC(C)C)cc1 315519966 JWOHLGSNIMWWOG-UHFFFAOYSA-N 297.398 4.651 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCSc2ccccc2)C1 316870046 PXBVBVCXOQYZFY-DOTOQJQBSA-N 276.445 4.954 30 10 CJEE C=C(c1ccc([C@H](CC)NCCC)cc1)C(F)(F)F 388269864 DGRPLRIPBAPDMK-AWEZNQCLSA-N 271.326 4.713 30 10 CJEE CCCCCCCC[C@@H](NC)C(C)(C)OC(C)C 394705291 KWHGTYQNEHOOMG-OAHLLOKOSA-N 257.462 4.529 30 10 CJEE Cc1ccsc1C#Cc1c(Cl)cccc1Cl 394856302 IRSLOAWOPUSSQB-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1ccc(Br)cc1 397523046 VOWLBYPDWPKHAH-SNVBAGLBSA-N 298.249 4.727 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1C[C@H]2C=C[C@H]1CC2 402270461 SCBFSOBMFSGRBH-MWDXBVQZSA-N 250.426 4.700 30 10 CJEE C#CCCCCCNc1c(C)cc(Br)cc1C 686675194 IOFCAPNVISXFBI-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE CCCCCCCCCCCC[C@H]1COC[C@@H]1NCC 687984852 GTYRGGIWRVVYCZ-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCOC1)NCCC 689585534 XEJKFGWFJAWVCJ-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@H]1C[C@H]1OC 689956158 AYHPQAYZHQSUIW-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCCSCC1 690579489 SJYSSFWCBPJFHB-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C#Cc1cccc(N[C@H]2CCCCC[C@@H]2C(C)C)c1 691041948 JOUJMWKTJKIPKD-MSOLQXFVSA-N 255.405 4.685 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1sccc1C 692255067 QYVOJIAECRJFJS-RBSFLKMASA-N 263.450 4.842 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)c(F)c(C)c1)C(F)(F)F 694900781 CSLOWAIOZFHLRB-CQSZACIVSA-N 289.316 4.602 30 10 CJEE C[C@@H]1CCC[C@H](N(C)CCCCC(C)(C)C#N)CC1 697855534 NVFUORXMIIAOIY-CVEARBPZSA-N 264.457 4.607 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](CCC)OCC 705384851 PUNLIYGYNMHPEU-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C=CC(C)(C)CCN[C@@H](c1ccc(C)cc1)C1CC1 706496257 VFEORPDYBQWUHD-KRWDZBQOSA-N 257.421 4.638 30 10 CJEE CC(C)C[C@@H](C)c1nc2cc(C#N)ccc2n1C(C)C 709151042 LVKKOVYMFUHJAM-CYBMUJFWSA-N 269.392 4.638 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1 715790062 SYXWPANKIFVDLX-ZMSDIMECSA-N 251.458 4.783 30 10 CJEE N#CCCCn1ccc2cc(OCc3ccccc3)ccc21 720906438 XPUVOZJAZDPGDW-UHFFFAOYSA-N 290.366 4.524 30 10 CJEE C=CCC[C@](C)(O)CCc1cc(Cl)cc(Cl)c1 722111184 JNYNBZDKCVDGEQ-AWEZNQCLSA-N 273.203 4.643 30 10 CJEE CCCCCCCCCC(=O)C1C[C@H](C)O[C@@H](C)C1 724274615 GJVYSZPXHDNWFY-GJZGRUSLSA-N 268.441 4.900 30 10 CJEE C=C1CCC(C[C@H](O)c2sccc2Cl)CC1 724541682 BKFHJZVBSVLRJS-LBPRGKRZSA-N 256.798 4.571 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(CC)cc2)CC1 724549225 CJKRISKGHMSRBE-HNNXBMFYSA-N 257.421 4.646 30 10 CJEE C=C1CCC(C[C@H](O)CCCc2cccs2)CC1 724552594 NQZWUGQCNFTSMC-OAHLLOKOSA-N 264.434 4.568 30 10 CJEE C=C1CCC(C(=O)N[C@H](C)c2cccc3ccccc23)CC1 1124066139 MZRGUOWVAGECGZ-OAHLLOKOSA-N 293.410 4.763 30 10 CJEE C=CCC[C@H](C(=O)NCCCC(C)(C)C=C)c1ccccc1 1133391876 XBGAVJUBMXTJHK-SFHVURJKSA-N 299.458 4.845 30 10 CJEE C=CCC1(NCc2csc(C3CCCC3)n2)CCCC1 1174593179 JJQGQAJOZXDMRX-UHFFFAOYSA-N 290.476 4.779 30 10 CJEE C=CCC1(CNC(=O)Nc2cccc(C)c2C)CCCC1 1214555191 VHBSYXQPQBBYGY-UHFFFAOYSA-N 286.419 4.561 30 10 CJEE C=CC1(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CCCCC1 1353021789 KGNQARLXVWPJRY-HOTGVXAUSA-N 277.452 4.550 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C(=C)C)c2)CCCC1 1439928861 BAUUWMFSUHHFIZ-UHFFFAOYSA-N 269.388 4.795 30 10 CJEE CCCCCc1ccc(Nc2snc(C)c2C#N)cc1 1458047416 DZMNUIOOTGHZMB-UHFFFAOYSA-N 285.416 4.800 30 10 CJEE C#CCCCCCCN(c1cccc(F)c1)C(C)C 1460466225 JUNYJKNJUOFZGJ-UHFFFAOYSA-N 261.384 4.624 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCCC1(F)F 1462246016 GKADSUVRHAUFMR-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(CC)CN[C@@H](CCc1ccccc1)Cc1ccccc1 1462338967 DYVXOLFHKJCVIE-NRFANRHFSA-N 293.454 4.786 30 10 CJEE C=CCC[C@H](CC)Nc1cc(OC)ccc1C1CC1 1462524362 XZWZZRFZJZMCBW-AWEZNQCLSA-N 259.393 4.729 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(C)C)nc1C 1473637951 NTOCBUOJVJYPNB-QFBILLFUSA-N 286.463 4.738 30 10 CJEE C=CCCC[C@H](NC[C@@H]1C[C@H]1CC)c1ccccc1 1473759659 MBIHDMJJPTXAIQ-NJAFHUGGSA-N 257.421 4.720 30 10 CJEE C#CCCCCCCNC[C@H](c1ccccc1)C(F)(F)F 1474452317 GCCITPZWBVMJKD-MRXNPFEDSA-N 297.364 4.506 30 10 CJEE C=C(C)CCN[C@@H](C)CCc1ccc(OC/C=C\C)cc1 1474532805 RKAVNAXZVMWWCB-OSJSJHBBSA-N 287.447 4.518 30 10 CJEE C=C1CCC(C(=O)N(CC)C[C@H](CC)c2ccccc2)CC1 1517634421 MVRUUFGESTYNHQ-KRWDZBQOSA-N 299.458 4.775 30 10 CJEE C=CCCCC(=O)NCc1ccc(C2CCCCC2)cc1 1526875916 JVSHGSKAXCJSEB-UHFFFAOYSA-N 285.431 4.707 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1532345213 STPOHHBZRLKWJY-KRWDZBQOSA-N 273.420 4.555 30 10 CJEE C=CCCCC(=O)N1CCC[C@]1(CC)CCc1ccccc1 1533700346 DBDKWNMTERFVPM-HXUWFJFHSA-N 299.458 4.747 30 10 CJEE C=CCCCCNC(=O)[C@H](CC1CCCCC1)C(C)C 1538065856 MGIKSTVHLNUYNV-QGZVFWFLSA-N 279.468 4.702 30 10 CJEE C=C(C)CCC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 1539282597 QTZNDWGUHPSJHJ-DLBZAZTESA-N 272.388 4.531 30 10 CJEE C=CCCC(C)(C)CNc1ncnc2c1oc1ccccc12 1559252939 BHTSTSKLAZPNCN-UHFFFAOYSA-N 295.386 4.780 30 10 CJEE C=CCCCCCN1CCCC[C@@H]1c1ccccc1OC 1559527376 CEZANCBMOLPFAK-GOSISDBHSA-N 287.447 4.969 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCOc2ccc3ccccc3c2)C1 1560281753 ZDSGVQOWCPZQTK-APWZRJJASA-N 295.426 4.553 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(CCC)cc1)c1ccccc1 1586908794 FQELYXVMHXHJPE-SFHVURJKSA-N 279.383 4.547 30 10 CJEE C=C1CCC(CNC(=O)CCc2ccc(C(C)C)cc2)CC1 1625700219 XSFIVPXIEXCUJL-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C#CCCCCCCOc1ccc(C)c2c1C(=O)C[C@H]2C 1640830120 AAPTWKFCOLDEQR-OAHLLOKOSA-N 284.399 4.647 30 10 CJEE C=CCCCCCN(C)Cc1ccc(F)cc1Cl 1644669633 RGDUDRFFVVMXCW-UHFFFAOYSA-N 269.791 4.657 30 10 CJEE C#CCN(CCC[C@H](C)CCC)[C@H]1CCc2ccccc21 1652347543 LBLCUJMMZYXVNQ-XLIONFOSSA-N 283.459 4.826 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](CC)CCc2ccccc2)C1 1652823480 SBBOYSULDWCIDR-QRVBRYPASA-N 271.448 4.732 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(CCC)s1 1655985257 BBXPGKXVJJYODT-ZDUSSCGKSA-N 251.439 4.535 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@H](c3cccc(F)c3)C2)C1 1657906656 WFWUOSHQAUBQFW-XIVBQZFQSA-N 287.422 4.796 30 10 CJEE C=CCC[C@@H](CC)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 1659640021 VNRSXUXYWXWQPE-BBWFWOEESA-N 284.447 4.832 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H]1Cc1ccccc1 1659808632 PXVLDVOZBVOCSG-RBUKOAKNSA-N 285.475 4.980 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C3CCC3)c2)C1 1670511399 FMIFVIIAGTZFEF-OAHLLOKOSA-N 298.430 4.774 30 10 CJEE CCC[C@H]1CC[C@H](CN(CCC#N)C(C)(C)C)CC1 1878368108 LMJDTMMFVJXDHS-WKILWMFISA-N 264.457 4.607 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@H](C)CCC(C)C 1881299601 LGIKKORZLMNCHL-QGZVFWFLSA-N 259.437 4.889 30 10 CJEE C=C1CC(CC(=O)c2cscc2OCc2ccccc2)C1 1885752847 DBZBMVPAIYRUDO-UHFFFAOYSA-N 298.407 4.866 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCCCC12CCC2 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2319259283 UZBYEJKVCCFKOW-PVAVHDDUSA-N 251.458 4.783 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)C[C@@H]1CC[C@H]1C(C)(C)C 2320316291 XPEVYZSBZFMJOO-MPTYRVRUSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)C(C)(F)F)NCCC 2321108103 MMWUAIZYOGRKDU-OLZOCXBDSA-N 261.400 4.638 30 10 CJEE C=CCC(C)(C)[C@H](O)CC1CC2(C1)CC(C)(C)C2 2321232449 LCESSQASECXNPZ-CQSZACIVSA-N 250.426 4.556 30 10 CJEE CC[C@@H]1CCC[C@H](OCC2(CS)CC(C)(C)C2)C1 2321741846 SBIKXKJOPLZEGP-KGLIPLIRSA-N 270.482 4.708 30 10 CJEE CCCCCCCCOCCc1cccnc1Cl 2326857400 RNEQQZCRCIMZOG-UHFFFAOYSA-N 269.816 4.655 30 10 CJEE CC(=O)[C@](C)(C#N)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327957196 BATVQDFVLGLVIE-LKFCYVNXSA-N 284.186 4.524 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329185632 CGOFFHFGEIYOML-TUVASFSCSA-N 273.411 4.746 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2333470814 UYKSNLSWUDPCAS-FQUUOJAGSA-N 276.342 4.751 30 10 CJEE C=CC[C@H](C)Sc1cc(C)ccc1CN[C@H](C)CC 2335230317 XVMYZSMIWFAIFI-CABCVRRESA-N 277.477 4.940 30 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4.543 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)cc(C)c1 2344380558 RQQFHTJSBPTULR-MSOLQXFVSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1C[C@@H]1C1CCCCCC1 2344464154 IQTHGRQEQGYVSD-BRWVUGGUSA-N 264.453 4.946 30 10 CJEE CC(C)(C)C[C@H]1CCN(C[C@](C)(CS)C(C)(C)C)C1 2352072155 LHRVXQGEYUIPPG-RHSMWYFYSA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@@H]1C)NC 2360180157 SXLSMRXLBCDZCR-XLAORIBOSA-N 283.500 4.512 30 10 CJEE Oc1ccc2ccccc2c1/C=N/Nc1ccc(Cl)cc1 6672460 YQTBFPAIVJCAFI-YBFXNURJSA-N 296.757 4.645 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(OCC#N)cc1 22154351 JCQFOXIEWZCFFY-IAGOWNOFSA-N 286.419 4.606 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1cccc(Cl)c1 36913431 OYTJKJCBSVXSDM-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC[C@@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1 37071459 HYXWQXIIFUIJNK-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE C=CCSc1ccccc1NCc1cccc(F)c1 37496217 ZWTGVPMWGDMWPG-UHFFFAOYSA-N 273.376 4.716 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(C#N)cc2C)c(C)s1 49509487 JHCPRUZTIWNDCW-GFCCVEGCSA-N 270.401 4.718 30 10 CJEE CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccco1 54106157 FQHXWEBFKDLQKH-INIZCTEOSA-N 284.359 4.525 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)cc(F)c1 54933018 GJXJSTKJDCEABT-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE N#C[C@H](Cc1ccc(F)cc1)c1cccc2ccccc12 57734971 GIVZQMSMIFWTCW-INIZCTEOSA-N 275.326 4.829 30 10 CJEE CCCCCCCC(=O)Nc1ccc([C@@H](C)NCC)cc1 59295576 LOUCNVCHQUKRJF-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE C=CCOc1ccccc1CNCC[C@@H]1CCC[C@@H](C)C1 70546960 MMIQRZWJUKDJKS-SJORKVTESA-N 287.447 4.557 30 10 CJEE C=C[C@@H](C)Oc1ccc2ccccc2c1Br 71136747 BQEGGWYYCSBSSE-SNVBAGLBSA-N 277.161 4.556 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(Cl)c1 71276537 KJFKNGMFFOLKMU-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C=CCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 71276643 HFLQYLNVBFIYJE-CQSZACIVSA-N 286.246 4.870 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc(Cl)c(Cl)c1 71631490 UEDHXLOLFUBZRP-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCn1nc(C#N)cc1-c1cc(C)ccc1C 76850307 FFJYFCUNUBATTL-UHFFFAOYSA-N 281.403 4.619 30 10 CJEE CCOc1cc(C)c(C(=O)/C=C/c2ccccc2)cc1C 83193681 VIJIYGSVPYLMQQ-ZHACJKMWSA-N 280.367 4.598 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccccc2Br)C1 87996682 MECUIEJRZYBNMU-IUODEOHRSA-N 292.220 4.712 30 10 CJEE CCCCCc1ccc(NCc2cc(C#N)cs2)cc1 93685406 ADBQRYRKMVQAGQ-UHFFFAOYSA-N 284.428 4.965 30 10 CJEE Cc1cc(C)cc(CSCC[C@H](C)CCS)c1 94721427 YJUWNHNVRFNQBS-GFCCVEGCSA-N 268.491 4.883 30 10 CJEE CCCCCC[C@](C)(O)C#Cc1cccc2ccccc12 95633225 YQWJUDUYCQBXMH-FQEVSTJZSA-N 280.411 4.913 30 10 CJEE CCCCCCC(=O)[C@H](C#N)c1ccc(F)cc1Cl 97469509 WJXRIPKPJAWDEI-CYBMUJFWSA-N 281.758 4.626 30 10 CJEE CCc1ccc(Oc2ccc(C#N)cc2Cl)cc1 104178899 NHGGHKPWPJAOFW-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCNCc1cccc(C)c1Cl 106255828 ZAELARLJHDNXFY-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE CCCCCCC[C@H](Cc1ccc(OC)cc1)NCC 109728721 NNPPOFSASFOVHU-QGZVFWFLSA-N 277.452 4.576 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1ccc(F)cc1 109961261 ZFLUYCHWNQPHLI-HNNXBMFYSA-N 265.416 4.707 30 10 CJEE CCCCCCCCOCc1ccc(CNCCC)o1 110171344 ZTTUWXDQIRZAFH-UHFFFAOYSA-N 281.440 4.656 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)cc1F 110258511 RSEGXHQITDUOQN-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(F)c(F)c1 112885359 SNNSKHHWZKMFEE-HNNXBMFYSA-N 256.336 4.749 30 10 CJEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)s1 113317471 OUKOSYFIBDTCNS-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C[C@@](O)(C1CCCCC1)C1(C#N)CCCCCCC1 122095750 DJTZXFHHMYPFNA-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCCC[C@@H](CC[C@@H]1CCCO1)NN 123526098 AAEWPDYNMWBMSO-ROUUACIJSA-N 298.515 4.698 30 10 CJEE C[C@@H](Nc1c(F)cc(F)cc1Cl)c1ccc(C#N)cc1 124032462 CBSIVTGXOYNZGI-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCCC[C@@H](CCCOC)NN 126593872 YKTLHIVKKOXHRP-KRWDZBQOSA-N 286.504 4.556 30 10 CJEE CSc1cccc(NCc2cccc(Cl)c2)c1C#N 127045172 UEBGLPHZIMKCAW-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCCCCCCCNc1ncccc1OCCC 128224671 ZVEHFNPTNAFWCT-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCCCCNC(=O)c1ccccc1NC 129396510 OVMAEEHRMUFFOY-UHFFFAOYSA-N 290.451 4.599 30 10 CJEE C#CCCC[C@H](CSc1ccc(Cl)cc1)NCCC 134082151 ZCAZYBWAPYYDFH-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE CCCCCCCCCCC(=O)CCCOCC 135632190 FUTGIJYBEWMVDR-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCCC[C@H](NCCC)c1snnc1C 140370146 GCFZGPOIDUZRQN-AWEZNQCLSA-N 283.485 4.638 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc2nccnc12 140392188 VDWGEAPTZHEMRG-MRXNPFEDSA-N 285.435 4.641 30 10 CJEE CCCCCCCCNC(=O)c1ccc(C)cc1NCC 147345080 RUJFRWJALOSKKE-UHFFFAOYSA-N 290.451 4.517 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](OCC)C1CC1 158240798 DHFHIHUVLYUWAM-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCN[C@H]1CCCc2cc(O)ccc21 159145881 UKMWJBYODPVANR-SFHVURJKSA-N 275.436 4.720 30 10 CJEE CC1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 163914456 CXYOZGAVCMPNDV-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE CCCCCCCCOC(=O)C[C@@H](C)c1ccc(N)cc1 164871418 PMLWLHAKPIIQFU-OAHLLOKOSA-N 291.435 4.666 30 10 CJEE COc1cccc(CC2(C#N)CCCCCCC2)c1F 166640756 CHKXELDFLAPBAC-UHFFFAOYSA-N 275.367 4.631 30 10 CJEE C=C(C)CN[C@H](CC)c1ccc(Cl)c(Cl)c1 167453022 WXUUXLORQCYSFQ-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CC#CCC[C@@H](NCCC)c1cccc2ccccc12 168117229 OJNAMGUIOFHKLE-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C#N)cc1F 168277852 BSVDRDFTZQQIFT-HACGYAERSA-N 274.383 4.570 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 168957946 ZUJDOWZOVDRGEZ-IINYFYTJSA-N 282.309 4.568 30 10 CJEE Cc1cccc(C)c1C[C@@]1(C#N)CCCc2ccccc21 215449304 WTNZQQLJEUNCNJ-HXUWFJFHSA-N 275.395 4.644 30 10 CJEE CCCCCCCCCCC[C@H](O)c1ccnn1CC 228633719 HUEUYJDQKYZHQY-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 229930928 FOLDBSMBDITHMM-UWVGGRQHSA-N 288.193 4.585 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(F)c(C#N)c2)C1 230771288 HGLGBQXMGGKEQQ-DZGCQCFKSA-N 274.383 4.714 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@H](C)c1c(Cl)cccc1Cl 251600755 KKTPESSTOZCHPK-KPXOXKRLSA-N 259.176 4.664 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN2CC[C@H]1C2 252975163 VZUXLZVKZQPCGJ-RBUKOAKNSA-N 295.511 4.754 30 10 CJEE CCOc1ccc(N=C/C=C/c2ccccc2)cc1 254492072 BIPJQHNMXIQBES-XUJZIMIQSA-N 251.329 4.501 30 10 CJEE CCCCCCCCCCN1[C@H](CN)CC[C@@H](C)[C@@H]1C 316792834 GHTCDUYHNPVNLC-SQNIBIBYSA-N 282.516 4.575 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CCC[C@H]1C 317151278 ORNXZQDAYGEQPZ-XUJVJEKNSA-N 295.220 4.558 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2Cc3ccccc32)CC1 317274399 RXUWRMZGZUITGL-URSIVYNOSA-N 270.416 4.892 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 317687553 IUPQEROVCAZQOW-WFASDCNBSA-N 284.321 4.643 30 10 CJEE SC[C@@H](COCC1CCCCCC1)c1ccccc1 381710642 FPMASPKOEOZVDV-QGZVFWFLSA-N 278.461 4.687 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ncc(Cl)cc2Cl)C1 384984330 OBUORMFJLSSDKO-QMTHXVAHSA-N 283.202 4.750 30 10 CJEE N#CC[C@H](Nc1cccc(C(F)F)c1)c1ccccc1 386145235 HSWSHMIHUCFDHQ-HNNXBMFYSA-N 272.298 4.691 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccsc2C)CC1 388350962 APQGPJSQRUNJQM-SIWZUTFBSA-N 277.433 4.590 30 10 CJEE C=CCCCCN[C@H](C)CC(C)(C)c1ccccc1 389173546 JCGCSOINQVOBFC-MRXNPFEDSA-N 259.437 4.689 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@@H]2CCC[C@H](CC)C2)CC1 394647357 WEXLINIMTKUWQR-XTJLLSPMSA-N 277.452 4.674 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)C2(C)CCCCC2)CC1 394705623 FCBDHRZTLVXLIZ-UPTPFMHGSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](COCc1ccccc1)NCCC 395521311 BJZKKDLYOZUZGO-IBGZPJMESA-N 291.479 4.932 30 10 CJEE C[C@@H]1CN(CCCCCCCCCS)[C@@H](C)[C@@H]1C 399499793 HDBCQLMUZGHBFN-OAGGEKHMSA-N 271.514 4.623 30 10 CJEE C=CCC[C@H](NCCC)c1csc2c1CCCC2 399894242 PRMIHPBOFGIXSC-HNNXBMFYSA-N 263.450 4.634 30 10 CJEE Cc1ccc(C2=CC(=O)CC(C)(C)C2)c2ccccc12 400139541 VTXMRIUNORCIOF-UHFFFAOYSA-N 264.368 4.921 30 10 CJEE CC[C@H](CC(F)(F)F)C(=O)C1=CCCCCCC1 402637556 DVPNSMQVUUIRAE-LLVKDONJSA-N 262.315 4.815 30 10 CJEE CCCCCCC[C@H](NC)[C@H](C)OCc1ccccc1 404468435 YEXTZSFNPZAGBB-WMZOPIPTSA-N 277.452 4.540 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C(C)C)[C@H](C)c1ccsc1 421693546 RZRRHAHIRKTNPG-UONOGXRCSA-N 279.449 4.648 30 10 CJEE CC1(C#N)CCN(Cc2ccc(-c3ccccc3)s2)CC1 507722364 SWFIDXNHOBHXPB-UHFFFAOYSA-N 296.439 4.541 30 10 CJEE Cc1c(Cl)cccc1C(=O)/C=C\c1ccccc1 575357887 AOQCEXAMBVSYAB-KHPPLWFESA-N 256.732 4.545 30 10 CJEE C=CCCc1ccccc1NC(=O)N1C[C@@H]2CCCC[C@@]21C 626554941 CNUJGYGGZMVSNZ-LPHOPBHVSA-N 298.430 4.602 30 10 CJEE CC1(C)CCC[C@H]1C/N=C1/NC2(CCCCC2)CCS1 687321083 BUBNDBZKHZXSFP-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE CC(C)[C@@H](C#N)CNc1ccc(SC(F)(F)F)cc1 690182831 BDSMEGIZAVOTSQ-JTQLQIEISA-N 288.338 4.506 30 10 CJEE CCCCCCCCCC1(CNCCOC)CC=CC1 690495312 PRWTXFCIADCYGV-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE O=C(/C=C\Cl)c1ccc2cc(Br)ccc2c1 693496091 QQGHPSKPSCBIAX-WAYWQWQTSA-N 295.563 4.538 30 10 CJEE CC[C@]1(C)CCS/C(=N/C2CCC(C3CCC3)CC2)N1 695861958 BPIIGUOAJGEWTJ-VMBOVVBDSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](N)[C@@H](O)CCCCCCCCCCCC 696064096 FHNQHTQMXHSENJ-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CC[C@@H](C)N 702617034 OJOPLFMPANGNGI-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@H]1C2 709129188 MKYYMKBGSIBJRE-ZBRFXRBCSA-N 261.453 4.680 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCCCC[C@H]2C(C)C)CC1 709146394 XILHLHLQFSADIP-JYSRZZCRSA-N 277.452 4.674 30 10 CJEE C=C(Cl)C[C@@H](Cc1cccc2ccccc12)NCCC 710634317 IZMIXSHBBXAMED-KRWDZBQOSA-N 287.834 4.893 30 10 CJEE CC1(C)C[C@@H](CC2(C=O)CCCCCCC2)C(C)(C)O1 711336985 NFCQXQDXVXQZGU-HNNXBMFYSA-N 280.452 4.900 30 10 CJEE C=CCCC[C@H](NCCC)c1cscc1Cl 711527932 CKIIMESQLWXZLU-ZDUSSCGKSA-N 257.830 4.799 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)[C@@H]1CCCCO1 711842072 DQPFKUMWICSKKP-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE C=CCCC[C@@H](O)c1c(Cl)cccc1C(F)(F)F 712607797 LYYARFLXWMBKLH-LLVKDONJSA-N 278.701 4.749 30 10 CJEE O=CC1(C[C@@H]2CCC3(CCC3)CO2)CCCCCCC1 716306454 WBZTXYZNERPEIS-INIZCTEOSA-N 278.436 4.655 30 10 CJEE CC[C@@H]1C[C@@H](C)S/C(=N/CC2(CC(C)C)CCCC2)N1 716967873 INLLAANMGYPRIA-HUUCEWRRSA-N 296.524 4.843 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)C[C@H](C)CO1 718522643 VMFMQBJGWJKXSC-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE Cc1nc(N[C@H]2CCCCCC2(C)C)c(Cl)cc1C#N 718954678 JGRANLSEEYASNV-AWEZNQCLSA-N 291.826 4.686 30 10 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263.469 4.783 30 10 CJEE C=CC1(CNC[C@H]2C[C@H]2C2CCCCC2)CCCC1 2135572757 IXBBHMXPLSUJRC-SJORKVTESA-N 261.453 4.539 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1C[C@H]1c1ccccc1 2135648999 ONBDEOWXVQAKMB-NRSFXHEJSA-N 256.389 4.576 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)CC=C(C)C 2136890310 DREKRACCBNVZER-GOSISDBHSA-N 261.453 4.685 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(F)c(Cl)c1F 2138948035 QLLDAHMZFOVCRE-ZDUSSCGKSA-N 286.749 4.625 30 10 CJEE CCCCCC#CC[C@H]1CCCCC[C@@H]1NCCC 2138985253 DTGSFOOBJUBJEF-ROUUACIJSA-N 263.469 4.909 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cnc(C(C)C)s1 2139000844 ITPIOGVBMGFOGS-CQSZACIVSA-N 278.465 4.501 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@H](CCC)CC1)C1CCCC1 2139192590 WMKPGKDCDZUEAY-JQHSSLGASA-N 261.453 4.517 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(OC)cc1C 2141909375 SPURLKQRHPEOSU-KRWDZBQOSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCOc1ccccc1[C@H](N)CC 2141914549 SDZYAYMJQRVBCE-MRXNPFEDSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCC1(O)CCC(CC)(OC)CC1 2141921697 CGACDMTUQZLEDQ-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@]1(C)C(F)F 2142431307 LBHGERQLLAZRNZ-HOCLYGCPSA-N 273.411 4.784 30 10 CJEE C=CCCCCCCCCO[C@H]1C[C@@H](C)CCC1=O 2142432587 SUWVHESWIRQJJN-RDJZCZTQSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](C)[C@@H]1CCCO1 2142437067 ZBDSKUSFMGRBOE-RDJZCZTQSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCC[C@](N)(COC)C(C)C 2142438695 FRCPGESXLBUBDI-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](CC)OCC 2142440468 HFYQEKYBJFXOHO-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](CC)COC 2142445702 IPJZFNIYENQRIZ-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1snnc1C 2142447663 JTAULUOQDLUJQT-AWEZNQCLSA-N 282.453 4.577 30 10 CJEE Cc1cc2sc(C(=O)[C@@H](C#N)[C@H]3CC3(C)C)cc2s1 2142615849 QLCGPFGWJOKMHW-VHSXEESVSA-N 289.425 4.640 30 10 CJEE CC1(CC2(C#N)CCC(C(C)(C)C)CC2)CCOCC1 2143830198 KINTVDROXLLJMI-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE CC#CCC[C@H](NCCC)c1ccccc1C1CCC1 2145765574 YDOPKFOBLIQOPJ-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CCC[C@H](CC(C)C)C1 2148581050 CCDMNDZFSZKKET-SQNIBIBYSA-N 283.500 4.642 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H](O)C1(C)CC1 2148595480 MBXWXFOVVFBOEJ-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@@]1(C#N)CCCC1(C)C 2149427662 IPLPJJBBEWIMKI-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]2C[C@H]2CO1 2151720596 OYCCFTNLNXGQBI-XSLAGTTESA-N 281.484 4.530 30 10 CJEE Cc1ccc(N[C@H]2CCSc3ccccc32)c(C#N)c1 2152750505 NTRNKNVTFRPNSS-INIZCTEOSA-N 280.396 4.516 30 10 CJEE C=C(C)C[C@H](NCCC)C1(O)CCCCCCCCC1 2153456571 NCMCJMIOYVKANM-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CCCCCCCCCCC[C@@H](CN(C)C(C)C)NC 2155676744 XIPKTDLFSFCQMT-SFHVURJKSA-N 284.532 4.836 30 10 CJEE CC1CCC2(CC1)CC(Nc1cccc(CC#N)c1)C2 2156623002 RSVIIGCTGRTURH-UHFFFAOYSA-N 268.404 4.523 30 10 CJEE CC[C@@H]1NC(=NC[C@@H]2CCCC(C)(C)CC2)S[C@H]1CC 2157112673 PYGOEWOWKJENGK-ILXRZTDVSA-N 296.524 4.843 30 10 CJEE CCCCCCCC[C@H](N)[C@](C)(O)C1(C)CCCCC1 2157564134 ARBDTXYMIBQXBD-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE CC[C@]1(C)CCSC(=N[C@@H]2CCC[C@@H](C(C)C)CC2)N1 2159443108 WTDTWUWFWOGRCU-BFYDXBDKSA-N 296.524 4.843 30 10 CJEE CC1(C)C[C@@](C#N)(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCO1 2161604508 UEEWDOUGAQDJPJ-AFIMGQEJSA-N 275.436 4.548 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCC[C@H]1OCC 2161989328 DOVBCYBBTBAABH-GOEBONIOSA-N 291.460 4.724 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1ccc(C)cc1C 2164480089 OKGUMSDDIABQJN-QZTJIDSGSA-N 273.420 4.621 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CC3(CCCCC3)CO2)C1 2166219597 XCXAITKJMFQQGJ-RYRKJORJSA-N 275.436 4.836 30 10 CJEE N#C[C@]1(Cc2cccc3ccccc23)CCC12CCC2 2166795250 KSBURGKFSGBDQE-LJQANCHMSA-N 261.368 4.856 30 10 CJEE C=CC1(C[C@H](O)C(CC)(CC)c2ccccc2)CCC1 2168017394 PIGDGSODVKOXDI-KRWDZBQOSA-N 272.432 4.852 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CCC[C@@H](C)N1 2170193953 GCFLJFRIIBCCKV-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE N#CC1(CN2CCCC3(CCCC3)CC2)CCCCC1 2171393533 WFBSFNHJJWZJLD-UHFFFAOYSA-N 274.452 4.507 30 10 CJEE CCCCCCCCO[C@@H]1CC2(CCCC2)CC[C@H]1O 2171453219 WGXXBASUYAAQPX-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1F 2175535772 UCWNOYJIYNMSDP-MJBXVCDLSA-N 285.284 4.841 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]1(O)CCC=C1CC 2179168841 WSTLLOHXFYJUOK-ROUUACIJSA-N 281.484 4.576 30 10 CJEE C=CCC1(Nc2cc(C(F)(F)F)cc(C)n2)CCCC1 2181636501 WINOIRMDARUDFU-UHFFFAOYSA-N 284.325 4.710 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@](C)(O)CCC(C)(C)C)CC1 2181677783 RFHHVNQEJZVEGZ-RDTXWAMCSA-N 280.452 4.515 30 10 CJEE C=C1CC(C[C@H](NCCC)c2ccc([C@H]3C[C@@H]3C)o2)C1 2182176284 ZKPTXFPTRAFRRE-BPUTZDHNSA-N 273.420 4.800 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(C#N)CCCC(F)(F)C1 2184849554 GNDYTVBKVXGEMW-GJZGRUSLSA-N 287.394 4.817 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2CC23CC(F)(F)C3)C1 2189529655 UAMRDXDWPYHRDU-ZDUSSCGKSA-N 283.406 4.536 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@@H](OC)[C@H]2C1 2190419654 NNRGBVYRALOCMA-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE CC(C)(C)C1(CN(CCC#N)c2ccccc2)CCC1 2191985301 UIJHYUHKYBNIHC-UHFFFAOYSA-N 270.420 4.623 30 10 CJEE C=C(CN(C)[C@H](C)C[C@H](C)C(F)(F)F)c1ccccc1 2195511880 AJZMAZFUNVBMMF-UONOGXRCSA-N 285.353 4.609 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1COC2(CCC2)C1 2195682110 MOYGNCCNBAOEGQ-KRWDZBQOSA-N 281.484 4.771 30 10 CJEE C=C1CCC(CN(C)CC[C@H](C(F)F)C(C)(C)C)CC1 2195961004 XDVRHQXFIWZRQO-OAHLLOKOSA-N 287.438 4.982 30 10 CJEE C=CCC[C@@H](C)[C@](C)(N)c1oc2ccccc2c1CC 2196590821 CRCATSSDXKOAEF-ACJLOTCBSA-N 271.404 4.771 30 10 CJEE CCCCCCCN(C)Cc1cc(CNC(C)C)cs1 2196692466 NQUCCLGSWNKGDO-UHFFFAOYSA-N 296.524 4.648 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H]2CCCC(C)(C)[C@@H]2O)CC1 2197065324 KXTIABCDYCFVHS-RKVPGOIHSA-N 277.452 4.674 30 10 CJEE CCCN(C1CCCCC1)[C@@H](CC#N)c1ccccc1 2197160405 HPHLBAKKSOWLCF-SFHVURJKSA-N 270.420 4.686 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@]12CCOC2)NC 2198176081 CMLVBKSRWJVBSH-KSZLIROESA-N 281.484 4.532 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1C[C@H]1C1CCCC1 2200041311 LPQDWGCBQBIBFZ-RCCFBDPRSA-N 275.480 4.621 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)N1 2201222060 QDHNASUYQIAOEZ-RBZJEDDUSA-N 296.524 4.554 30 10 CJEE CCCC#CC[C@@H](NC)C(CC)(CC)c1ccccc1 2203787338 LFERVISDECPIPN-GOSISDBHSA-N 271.448 4.526 30 10 CJEE CCCC#CC[C@]1(CNCCC)CCCCC12CCC2 2203821056 AZRZMNOOKHHIJT-LJQANCHMSA-N 275.480 4.910 30 10 CJEE CCCCCC#CC[C@H](NCC)C12CCCC1CCC2 2203829145 UNLFNUJXCLLUSJ-XBMUEBEBSA-N 275.480 4.909 30 10 CJEE C=CCCCCCC[C@]1(CN)CCc2ccccc2C1 2206902262 IIULMFSJGBSZBR-IBGZPJMESA-N 271.448 4.647 30 10 CJEE CCC1CCC(C#N)(CC2C[C@H]3COC[C@H](C2)C3)CC1 2206973220 WLNPIEYRVOQZFO-FZBQFSLMSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@]12CCOC2 2207371957 BVXSYOPRVWBDHN-SFHVURJKSA-N 279.468 4.548 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)[C@@H]1CCCS1 2207379388 YXVJPWPMXMSKEZ-DLBZAZTESA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCCN[C@@H]1COCC[C@H]1CC 2207429130 GGKVEFBJTHMRNF-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@](C)(O)c1ccsc1 2207437823 OATTVBKAIGSDAM-DLBZAZTESA-N 295.492 4.590 30 10 CJEE C=C([C@@H](NCC)[C@@H](O)CCCCCCCC)[Si](C)(C)C 2207444107 GRTMQARFGCLCSW-DLBZAZTESA-N 299.575 4.510 30 10 CJEE CCCCCCCC[C@H](CN)N(C)Cc1ccc(C)s1 2207456959 MMSWAKVGKQXBNL-MRXNPFEDSA-N 296.524 4.566 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1 2216163529 HOCRXWOZFUMCJE-GHMZBOCLSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@H](NN)c1sc(C)c(C)c1C 2221238433 DQKPSRIRJHRQFX-AWEZNQCLSA-N 268.470 4.538 30 10 CJEE C=CCCCCc1cc(C)c(CNC(C)(C)C)s1 2223730239 UIILKOACGYPYEU-UHFFFAOYSA-N 265.466 4.843 30 10 CJEE C=CCCCCCCCNC1(C(F)F)CC(C)(C)C1 2227290057 YGNRSDUDDLJQCH-UHFFFAOYSA-N 273.411 4.927 30 10 CJEE CCCCCCCCOc1cc(C)sc1CNCC 2229223210 LLHCFVASMQOQIK-UHFFFAOYSA-N 283.481 4.905 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCc2ncsc21 2229760244 OEPVHKKWCYFFEW-MRXNPFEDSA-N 278.465 4.550 30 10 CJEE CCC1CCC([C@@H](C)NCCC#CC(C)(C)C)CC1 2230504597 OTPUTUPGAHJBQC-KLAILNCOSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCOC[C@H](NC)c1ccsc1 2230987296 BRFIITOAUZQINR-INIZCTEOSA-N 283.481 4.776 30 10 CJEE CCCCCCCCCCO[C@@H](CN)c1cccs1 2231007963 DYXFRQFAPLVKLL-HNNXBMFYSA-N 283.481 4.905 30 10 CJEE C=C[C@@H](CCCCC)OCCNc1cccc(Cl)c1 2231104274 SYHUERORUVXOTL-INIZCTEOSA-N 281.827 4.903 30 10 CJEE C=CC[C@@H](C)Oc1ccc(Cl)cc1CN[C@H](C)CC 2231568723 ZMASLOBENWCYQT-CHWSQXEVSA-N 281.827 4.572 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C2CCC2)cc1 2231708021 MYUBWGQNLNLFGA-GOSISDBHSA-N 257.421 4.961 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccc(C)cn1 2231945421 FXDZYWNGUISVOP-MRXNPFEDSA-N 262.441 4.619 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1ncc(F)cn1 2233069937 KBDZCYMIFCLTQD-OAHLLOKOSA-N 282.403 4.570 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2233797061 DQSCMVSHKKDBAE-XMTFNYHQSA-N 275.480 4.621 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](CCCCC)c1ccccc1 2234704102 WQNWVYUKDQRRJG-RBUKOAKNSA-N 271.448 4.946 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCCCC1CC1)NC 2235484879 ICTHBWIZFSSYBG-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCN(C(C)(C)C)C1 2235514424 UHFUDDOBIXMNHQ-SFHVURJKSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)C(F)(F)C12CCC2 2235514544 VOLALASTYYXFAH-OAHLLOKOSA-N 286.362 4.793 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1c(C)n[nH]c1C 2235519483 QHANOTKBSMZALO-INIZCTEOSA-N 277.456 4.594 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC(F)(F)C1 2238898697 NABGEVIWQNMKMR-QXSJWSMHSA-N 284.390 4.988 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCCC(C)(C)[C@H]1NC 2239502853 OYFRVDYFGIMNOE-IKGGRYGDSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCOc1ccnc([C@@H](C)N)c1 2239508128 ROMXJBNMKUTTCY-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCCCOC[C@H](NCC)C1CC1 2239549692 LKUBARLBDSRPBA-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)C(CC)CC 2240562160 HMXLSSJIOHEJHT-SFHVURJKSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)Cc1ccsc1 2240562651 NKGZSDNUZUKBMR-KRWDZBQOSA-N 296.524 4.648 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccccc1CCO 2240645341 STNGUQGXYYHAQX-INIZCTEOSA-N 277.452 4.772 30 10 CJEE C=CCCSCc1cccc(C)c1Br 2241927917 JHVRQYLRGYGUEH-UHFFFAOYSA-N 271.223 4.567 30 10 CJEE C=C(C)CCCCNc1cccc(C)c1Br 2244629055 VINZHFRCNAKEPL-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=CCCCCCCCSCCCC[C@@H](C)N 2250064032 ZHATXNPXMNMHES-OAHLLOKOSA-N 257.487 4.764 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(Cl)ccc1C 2250166717 KYBDUOMTDPPQRB-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(C)c1Br 2250172974 ZDBCHTNDOALVGS-AWEZNQCLSA-N 296.252 4.894 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC2CC(C)(C)C2)C1 2251082904 GATVNVUCJVGHOU-YRGRVCCFSA-N 251.439 4.627 30 10 CJEE CCCCCCC[C@H](N)c1cc2cccnc2s1 2254190492 ZMQOJRDVINBPMG-ZDUSSCGKSA-N 262.422 4.657 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)CCC(F)(F)F 2256413317 XCRLXQCUDXTWJM-GOSISDBHSA-N 285.375 4.512 30 10 CJEE CO[C@@H](CSC[C@H](CS)C(C)C)C1CCCCC1 2256663912 WFYRKWIWTVCUBN-GJZGRUSLSA-N 290.538 4.517 30 10 CJEE C=CCCCCCCCSC[C@@H]1CC(C)(C)CN1 2259058328 JDUYXHNOYAIMTJ-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H](C)C(F)(F)F)NCC 2259212328 OXFOFCGZABRWAJ-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE CSCC1(C[C@@]2(C=O)CCCC(C)(C)C2)CCC1 2260966230 TZEBHLUMGKCOKF-MRXNPFEDSA-N 268.466 4.695 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C(C)(C)C 2262544917 LKITUDHEVNDUBR-INIZCTEOSA-N 257.462 4.517 30 10 CJEE CCCCCCCCCC[C@H](Cc1cnsc1)NC 2264361167 VRNNIJGEAINEOO-MRXNPFEDSA-N 282.497 4.804 30 10 CJEE CCCCCCCCCNC[C@@H]1CC(C)(C)CCO1 2265539717 MSJSWIYGDPJIFG-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C=CCCCCCCC(=O)[C@@H]1CC(F)(F)C12CCC2 2266198371 ZUUOCXPPWFKXQZ-ZDUSSCGKSA-N 270.363 4.908 30 10 CJEE CCCc1ccc(CC2(C=O)CCCCCC2)cc1 2268249833 ULVZKPBVNRHKFZ-UHFFFAOYSA-N 258.405 4.721 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H](C)C(C)C 2268741760 JIFHGQLETPUJGZ-IAGOWNOFSA-N 263.469 4.643 30 10 CJEE CC1(C)CCC[C@H]([C@@H](O)CC#CC2CCCC2)CC1 2274121323 JNFZKGOUADOUFT-IRXDYDNUSA-N 262.437 4.538 30 10 CJEE CC(C)(C1CCCCC1)[C@@H](N)CC#CC1CCCC1 2274128845 GZOYVPHWGOVCLQ-KRWDZBQOSA-N 261.453 4.504 30 10 CJEE O[C@@H]1CCCCCCCC[C@@H]1CC#CC1CCCC1 2274171821 RXEKNFDWBYJEME-QZTJIDSGSA-N 262.437 4.682 30 10 CJEE CC(C)(C)c1cccc(C[C@]2(C#N)CCC2(C)C)c1 2274445182 CNFSBVTZZOOWGE-SFHVURJKSA-N 255.405 4.857 30 10 CJEE C=CCCCCC[C@](CC)(CCCC)OCC(=O)O 2275341650 VHPCFMTVZOPMRY-INIZCTEOSA-N 270.413 4.563 30 10 CJEE SCCCCCCCN1[C@H]2CC[C@H]1c1ccccc12 2277510377 YEMHXMNCNWPVHP-IRXDYDNUSA-N 275.461 4.759 30 10 CJEE CCCCC#CC[C@H](NC)c1ccc(C(F)(F)F)s1 2277676929 QYOGVCVRSVRGJH-NSHDSACASA-N 289.366 4.611 30 10 CJEE CCCCCCC[C@@H](CC1(C)CC(C(F)(F)F)C1)NN 2279319174 MAXGCMOLNJLCIN-MOKVOYLWSA-N 294.405 4.548 30 10 CJEE N#Cc1c(Cl)cccc1NCC[C@@H]1CCCCC12CC2 2279726155 MRVGDJPAFWIVLM-ZDUSSCGKSA-N 288.822 4.984 30 10 CJEE Cc1ccc(Cl)c([C@@H](O)C2(C#N)CCC(C)(C)CC2)c1 2283236100 HKABNNFEOURRQW-OAHLLOKOSA-N 291.822 4.792 30 10 CJEE CCCC[C@@H](CC)COc1ccc(C(C)=NO)c(C)c1 2283262090 HAUABQOUEXRLLC-OAHLLOKOSA-N 277.408 4.788 30 10 CJEE C[C@@H]1CCC[C@]1(CC=CC#CC(C)(C)C)CNC1CC1 2284077031 OVBHXOZDGOWBSW-VQIMIIECSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)c1c(F)cccc1Cl 2284079352 AUEGHSNRVQZVEW-KRWDZBQOSA-N 294.797 4.682 30 10 CJEE CCNC[C@]1(CC=CC#CC(C)(C)C)CCCC[C@H]1C 2284081446 NRGGCPKMYWLXMY-MJGOQNOKSA-N 275.480 4.788 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCC[C@H](C)C1 2284086225 OKBKNPJDCHNGBJ-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CCC1CCCCC1 2284099132 PGXVYVDMPOXOQI-SFHVURJKSA-N 275.480 4.931 30 10 CJEE C=C(C)CCCCOc1ccccc1[C@@H](CC)NCC 2287409164 QUSKTBLQPNEPJX-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE CN(CC1CC(CC(C)(C)C)C1)C[C@H](C#N)C(C)(C)C 2290067761 CKTZFTHNYSMLBH-GPANFISMSA-N 278.484 4.566 30 10 CJEE CN(c1ccc(C#N)cc1)[C@H]1CC(C)(C)CCC1(C)C 2290321094 YLWOUJIZWLVWQI-INIZCTEOSA-N 270.420 4.599 30 10 CJEE C=C=CCC[C@H](CCCCCCCCC)OCCCN 2293614016 YHDFYPIYGFKFPO-GOSISDBHSA-N 281.484 4.982 30 10 CJEE C=CCCC[C@@]1(OCCCN)CCC[C@@H](C(C)(C)C)C1 2293893887 VLUBDZVDFJYMGE-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@H]1CCC1(C)C 2293925580 WFWBJSKZQOFRFS-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCC[C@H](C)C1 2294003818 OTJLOPJYXAOLKV-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1C[C@H](C)C[C@H]1C 2295523318 XTOVWYKBRYQLQM-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCCC[C@H]1O 2295690710 FFTGIMMISQKBGL-OKZBNKHCSA-N 283.500 4.799 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]1C(F)F 2308737017 XITGHSOFEOVFHN-HZSPNIEDSA-N 261.400 4.746 30 10 CJEE C=CC[C@H](C)S[C@@H](c1ccccc1Cl)[C@H](N)CC 2313525706 ZOVVTFQLRQPMFU-GLQYFDAESA-N 283.868 4.816 30 10 CJEE C=CCC[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2316695916 ZLFMHEIXPUXJFQ-CYBMUJFWSA-N 286.246 4.789 30 10 CJEE Nc1ccccc1C#Cc1cc(Cl)c(Cl)cc1Cl 2317648123 FZPNQYPRRPPQSA-UHFFFAOYSA-N 296.584 4.629 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCC(F)(F)F)NCC 2321100961 GFXZPMURUBRQGB-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](C)CC(F)(F)F)NC 2321128236 QQSMHDQRBWKDCK-UPJWGTAASA-N 265.363 4.545 30 10 CJEE CCCC#C[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2325212013 MSVJFRKUMXUQOU-CQSZACIVSA-N 288.193 4.587 30 10 CJEE C=C(C)CCCCNCc1cc(F)c(Cl)cc1Cl 2325254729 YBNIXTPFLLQSSJ-UHFFFAOYSA-N 290.209 4.969 30 10 CJEE CC(C)(C)[C@](C)(CS)CSCCOCCC1CC1 2327273687 FNMUFNGCNRCDJN-OAHLLOKOSA-N 290.538 4.519 30 10 CJEE CCc1ccc(C(C)=NOCc2ccccc2Cl)cc1 2330452351 ZRRVSSYCLWBVKS-UHFFFAOYSA-N 287.790 4.843 30 10 CJEE CC(=NOC(C)C)c1ccc(-c2ccccc2)cc1 2330458642 RLSABJAILSHJAM-UHFFFAOYSA-N 253.345 4.503 30 10 CJEE CCCCCCCCCN(C)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2332409972 LBLOQEONFWUWMG-ATIWLJMLSA-N 263.469 4.713 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334657585 CRKDYYDFEPFBEX-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCC(F)(F)[C@H]1NCC 2335096957 SKLMPGISBXATES-MJBXVCDLSA-N 291.451 4.630 30 10 CJEE C=CC[C@H](C)S[C@H](C(C)C)[C@@H](NC)c1ccccc1 2335103647 OPTBEMQCSWQIMY-BHYGNILZSA-N 277.477 4.670 30 10 CJEE SCC1(COc2cccc(C3CCC3)c2)CCCC1 2336354119 GXFQCADYMYCXHR-UHFFFAOYSA-N 276.445 4.823 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cc(F)ccc1C(F)F 2338028520 WOVHOQLMVVRQFZ-BONVTDFDSA-N 267.294 4.636 30 10 CJEE CCCCCCC[C@H](O)c1c(F)cc(OC)cc1Cl 2338709088 JTDOESCUNGTBEU-AWEZNQCLSA-N 288.790 4.882 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(C)cc1C 2338739762 YTSLPLNXPWHIJV-SFHVURJKSA-N 257.421 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1CCCCC12CCC2 2338743925 KCFDBUFIMLBRKU-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C#CCCCCCCN[C@H]1CCCCC[C@@H]1C(C)C 2338805361 RBHRRWFHZMMWGT-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C=C(C)C[C@H](Cc1ccccc1CCC)NCCC 2341931032 XAZWDIZMDZYCNQ-GOSISDBHSA-N 259.437 4.516 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NCC 2342337439 JIKREHPANHOOQX-KSZLIROESA-N 263.469 4.927 30 10 CJEE CC1(C)C[C@](C#N)(C[C@H]2CC[C@H]2C(C)(C)C)CCO1 2343242522 SQEOSFOZOQFJDU-CKEIUWERSA-N 263.425 4.548 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CC2CCC1CC2)NCCC 2344339801 MFYZVMCHABFIAL-VLMYXLFRSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)C1CC2(C1)CC(C)(C)C2 2344347179 ZNXOTKGGYCBELP-NVXWUHKLSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccccc1)NCCC 2344357502 RHUIPVSZYJEMHB-ROUUACIJSA-N 259.437 4.590 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccccc1C(C)C 2344464738 AZHRAZGGOCSFQZ-ROUUACIJSA-N 260.421 4.706 30 10 CJEE CCC1CCC(N(C)C[C@](C)(CS)C(C)(C)C)CC1 2352317199 JIJXKWLXMKNJCS-VMBOVVBDSA-N 285.541 4.869 30 10 CJEE CSc1cc(N[C@H](C)CCCC(C)C)ccc1C#N 2353827988 TUKYUTZLFFATOF-CYBMUJFWSA-N 276.449 4.907 30 10 CJEE CSc1cc(NCc2scc(C)c2C)ccc1C#N 2353832406 QUZCOHIGWOPHAB-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE CSc1cc(N(C)[C@H](C)c2cccs2)ccc1C#N 2353838619 XAUNMPHYZZJWIP-LLVKDONJSA-N 288.441 4.539 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355161690 DXZGBRIHEPBXJA-QXKUPLGCSA-N 285.422 4.638 30 10 CJEE CO[C@H]1CCC[C@](C#N)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2357821911 HFTNOLXTCYTIME-XSLAGTTESA-N 275.436 4.692 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2OC[C@@H]3CCC[C@@H]32)CC1 2358523008 WEYQGMUHLMODFM-CUSZFKRNSA-N 275.436 4.692 30 10 CJEE CN(C[C@H]1C[C@@H]2CC[C@H]1C2)CC1(CS)CCCCCC1 2359330376 GVUZROJPPJCGRT-IXDOHACOSA-N 295.536 4.625 30 10 CJEE C=CCC(CC=C)S[C@H]1Cc2ccccc2[C@@H]1NCC 2360200212 GSRLFVWGZZRLDA-ROUUACIJSA-N 287.472 4.516 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ccc(C#N)cc1 21054518 QADRJJAMCLWVNZ-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1ccccc1C#N 21059208 MKXZQORWQFJXEZ-CQSZACIVSA-N 265.356 4.651 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@@H](C)CC(C)(C)C1 37089262 AWMQRSSHFVMGJT-RISCZKNCSA-N 274.383 4.633 30 10 CJEE Cc1cccc([C@@H](C#N)Cc2ccc(C(C)C)cc2)c1 41357494 BJUUBSBNTQUSKG-LJQANCHMSA-N 263.384 4.968 30 10 CJEE CCc1cc([C@@H](C#N)CCCc2ccccc2)ccc1OC 57696636 CHDNIRWPAAJJTL-LJQANCHMSA-N 293.410 4.888 30 10 CJEE C[C@@H](C#N)Cn1c(-c2ccccc2Cl)nc2ccccc21 57800448 VFQFSNLMXDQMCH-LBPRGKRZSA-N 295.773 4.516 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)N)cc1F 59087994 JOFDPJXTYNCERY-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(Cl)ccc2C#N)C1 71132191 OAXCXSHCBLIZGH-FZMZJTMJSA-N 263.768 4.559 30 10 CJEE CCc1sc(-c2ccc3c(c2)CCCC3)cc1C#N 77096497 ZSRKDLKMFWZOSI-UHFFFAOYSA-N 267.397 4.728 30 10 CJEE Cc1nc(-c2ccc(OCC(C)C)cc2)ccc1CS 82481852 BUEUUWBAGJDTCO-UHFFFAOYSA-N 287.428 4.522 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccc(C(C)(C)C)cc2)C1 87973463 JHKHGPBTCDAXIK-RDTXWAMCSA-N 255.405 4.857 30 10 CJEE C[C@@H]1CC(C)(C)C[C@](O)(C2(C#N)CCC(C)(C)CC2)C1 91875909 ZDQXYONDXDWVRX-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)C[C@H](C)CC[C@H]2C)CC1 91887520 UKKPVVYROSWEGH-IUGQGLEPSA-N 277.452 4.530 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CSCCC1(C)C 94483196 IYUFBGBYUZFPEA-OAHLLOKOSA-N 293.501 4.908 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccccc1Cl 97208602 ASEWCGKXPXPSGL-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C=C(CC)C[C@@H](N)c1cc2cccc(Br)c2o1 97284227 GHINMASZJANGFE-GFCCVEGCSA-N 294.192 4.551 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(CC)c(Br)c1 107478254 FWIXUEZIOXBUFL-NWDGAFQWSA-N 279.221 4.774 30 10 CJEE CCCCCCC[C@H](CN)N(CCCC)[C@@H](C)CC 110022535 VSUJKKRHTFTXHY-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C[C@@H]1C[C@@H](Oc2ccc(Cl)cc2C#N)CC(C)(C)C1 110261798 CYIRXDUUKINXBE-BXUZGUMPSA-N 277.795 4.805 30 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161106519 KRUOQBGNHFTQJN-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCC[C@@H](N)c1cnc2ccsc2c1 163546163 PCGHVWUUFOSYIL-CYBMUJFWSA-N 262.422 4.657 30 10 CJEE C[C@@H]1CC[C@](O)(C2(C#N)CCCCCC2)c2ccccc21 164430737 HJCMYUOEQLYUPJ-DNVCBOLYSA-N 283.415 4.636 30 10 CJEE CC[C@@H]1CCC[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 164936357 UAJXWURMOSQKTE-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 184862344 OPCFRGOJQDKHFU-VIFPVBQESA-N 272.175 4.534 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccc(C(C)C)cc1 212963285 FJRIXAZGBKIMKM-MSOLQXFVSA-N 270.420 4.639 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1ccc(C(C)(C)C)cc1 213026695 HMIBGCJENNBMHM-GOSISDBHSA-N 284.447 4.813 30 10 CJEE CCCCCCCCCCNN1[C@H](C)CCC[C@H]1C 215039901 CEXSURLPQCCXCL-IAGOWNOFSA-N 268.489 4.895 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1Cl 215077180 MRMQYOGMMCTAPI-ZFWWWQNUSA-N 276.811 4.838 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@H](C)CC[C@H]1C(C)C 218036254 LCPVNYKJIDLRAX-MRAWALMUSA-N 288.410 4.879 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(CC)(CC)CC2)C1 222808240 HKVQURPZOQSSOI-IKGGRYGDSA-N 276.468 4.607 30 10 CJEE CC(C)c1ccc(Sc2cc(F)cc(C#N)c2)cc1 227637546 NAWZTFKIMJOYCG-UHFFFAOYSA-N 271.360 4.972 30 10 CJEE C=C(CC)C[C@H](NC)C1CCC(CCCC)CC1 229756469 BRIISEOAMBLOSL-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1ccc(C#N)cc1Cl 233828392 VSFTWRZHVPBVCA-DGCLKSJQSA-N 264.800 4.838 30 10 CJEE COc1ccc(C=Nc2cccc3ccccc23)cc1OC 252612270 IRKDGLSKNHHNET-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE CC1(C)OB([C@H]2C[C@H]2c2ccc3ccccc3c2)OC1(C)C 306668604 KPKFNIFXDSETAW-IRXDYDNUSA-N 294.203 4.790 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1 311346289 CEBUAAHSFRFCQQ-MRXNPFEDSA-N 277.839 4.820 30 10 CJEE Cc1cccc(NCc2ccc(C#N)cc2Cl)c1Cl 311476253 JNNTULXPQFYNPN-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CC#Cc2ccccc2)C1 311584480 VRXIITGLAZXQBN-FUHWJXTLSA-N 251.373 4.538 30 10 CJEE CC(C)Cc1ccc([C@]2(C)CCC[C@H](CC#N)O2)cc1 312996121 YFGXUZSJERBMNT-MSOLQXFVSA-N 271.404 4.583 30 10 CJEE Cc1cccc(N[C@@H]2C[C@H](C)c3ccccc32)c1C#N 313396019 SRHSPTSYRZRTAE-SCLBCKFNSA-N 262.356 4.527 30 10 CJEE C=C(CC)CC1(CNCCC)CCC(CC)CC1 318807971 SRKAINNNEBHXSK-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCNC[C@@H](CCC#CC(C)(C)C)c1ccccc1 383501059 BBHYPMPYRHNXSE-GOSISDBHSA-N 271.448 4.600 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cccc(C)c1Cl 387430923 IGPBIYIKGVUBHA-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@H](CC)CCCC 387688172 UQINBBXVXRUMNG-SJORKVTESA-N 269.473 4.554 30 10 CJEE CCCCCCCC[C@H](NC)c1cnc(C)cc1C 397397403 DTFZTGSHSBONLI-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE C[C@@H]([C@@H]1CC1(C)C)N(C)CC1(CS)CCCCCC1 397867491 WOZDCJVAOFHYFV-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE N#Cc1ccc(Sc2nccc3ccccc23)c(Cl)c1 401668880 PYHSUJUKOGRONF-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE N#C[C@]1(C[C@@H]2CC=CCC2)CCCc2ccccc21 402135857 IXLBPZBQQYKVOU-CRAIPNDOSA-N 251.373 4.531 30 10 CJEE C=CCC[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 575244660 HAXHBHBMRRQFNP-MRXNPFEDSA-N 289.463 4.953 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C)cc1Cl 692280635 MINHSHXEMSJBDS-YOEHRIQHSA-N 277.839 4.873 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]12CCC[C@H]1C2 693139680 QTQAZLNEFKBTFK-YESZJQIVSA-N 266.473 4.539 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@H]1SC 702002590 KJKQFMJAXZINBK-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)NCC 708043059 XHADSBZPUIIMHX-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C[C@H](COc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C 711203484 XHRJROOAMVWZLD-SNVBAGLBSA-N 285.309 4.638 30 10 CJEE C=CCCCCCN1CCc2ccc(Br)cc21 712956764 PBWJKIQNWMNUDH-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1CCC2(CCC2)O1 716873077 NYXNHHZCUGZSQS-JKSUJKDBSA-N 267.457 4.556 30 10 CJEE CCCCCCCCCCCC(=O)CC[C@H]1CO1 718630336 ZJFLCGDJVMJRTD-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CC(C)C1CCC(C=O)(CC2C[C@H](C)O[C@@H](C)C2)CC1 724382546 FORMWGLYKPGUNW-QEFXCSQDSA-N 280.452 4.612 30 10 CJEE C=C1CCC(CC(=O)c2cccc(Cl)c2F)CC1 724580693 ZFAHZFZIBVQVHE-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C=C1CCC(C[C@@H](N)C2CCC(C(C)C)CC2)CC1 724592055 HVGJZSVHOKNYJK-DAWZGUTISA-N 263.469 4.913 30 10 CJEE CSc1cc(C(F)(F)F)cc2c(CC#N)csc12 725316212 LUILJWKSXDVKTL-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C#CCCCCCC(=O)N(C)[C@H](c1ccccc1C)C(C)C 779936782 PUWYMFAUCPXIHZ-FQEVSTJZSA-N 299.458 4.734 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(CCC(C)C)cc1 1125510852 JEBMMUNHLVIQSE-UHFFFAOYSA-N 273.420 4.816 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1C(C)(C)C 1152480884 IKYSFLYNTZTXLX-UHFFFAOYSA-N 259.393 4.525 30 10 CJEE C=CCCCC[C@@H](C)NCCC[C@@H]1CC1(Cl)Cl 1182664762 BJYWHVUVQNKGQN-CHWSQXEVSA-N 278.267 4.685 30 10 CJEE C#CCCCCCCN(C)Cc1cccc(C(F)(F)F)c1 1190674240 ROBNQIKAAOBLKS-UHFFFAOYSA-N 297.364 4.721 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1193497646 UAMJGJXTMTUIAL-GOEBONIOSA-N 297.364 4.897 30 10 CJEE C=CC[C@@H]1N(Cc2c(F)cccc2F)CCCC1(C)C 1193920745 PYWRQSFXLOMXKX-INIZCTEOSA-N 279.374 4.532 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(-c2ccccn2)c1 1203338715 HXMQOIHOCWJMBW-UHFFFAOYSA-N 294.442 4.831 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](CC)CC1CCCC1 1287603639 PHSKYUOOOVUZQM-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 1307440529 NKNSTCLBQHFPFM-FQEVSTJZSA-N 290.410 4.698 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCc1ccccc1CC 1307924818 UDJIPVOEMRBWDH-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE CCCCCCCCCN1CC[C@@H](c2nccs2)C1 1308035021 PSIIEECEQUMVQI-OAHLLOKOSA-N 280.481 4.683 30 10 CJEE C=CCCCCCCCNCc1c(O)cccc1Cl 1308425899 MVOJAFXASMAUGE-UHFFFAOYSA-N 281.827 4.662 30 10 CJEE C=CCC[C@@H](C)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 1308723423 MGQOAAUVZRENTR-XNRPHZJLSA-N 297.364 4.896 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1CC=C 1313001244 IILAMMNNEAKJQC-DLBZAZTESA-N 292.467 4.509 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1OCCC 1355036431 AFJANKJJCVCNKW-GFCCVEGCSA-N 295.810 4.670 30 10 CJEE C=CCC[C@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 1357219679 LZZGKOUXPKNMJM-SFHVURJKSA-N 297.373 4.593 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 1435619958 HTUBTQYQRDOOTD-MOPGFXCFSA-N 297.442 4.947 30 10 CJEE C=CCC1(CNC(=O)C[C@@H](C)C2CCCCC2)CCCC1 1436235036 NIQAHSOFTARREX-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C=CCCCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 1457942406 OQKPZUHNRFSKQF-ZDUSSCGKSA-N 284.758 4.830 30 10 CJEE C=CCC1(C(=O)NCc2cccc(C(C)C)c2)CCCCC1 1459148635 FFRBCKBRPXNRIX-UHFFFAOYSA-N 299.458 4.953 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccccc1Cl 1459340767 WNVFVMPKAAHELI-HNNXBMFYSA-N 277.839 4.917 30 10 CJEE C#CCCCCCC(=O)O[C@H](C)c1ccccc1SC 1525678917 XPYNZNKEJBGVLS-CQSZACIVSA-N 290.428 4.596 30 10 CJEE C=CCCCCNC(=O)C/C=C\c1ccc(C(C)C)cc1 1530006209 ZMPBTLMXULZXCA-HJWRWDBZSA-N 285.431 4.686 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H](CC)C2)CCCCC1 1530098957 OZVQDSHGQYDDSQ-HZPDHXFCSA-N 277.452 4.598 30 10 CJEE C=CCC1(NC(=O)/C=C/C2CCCCCC2)CCCCC1 1543288594 LLWHXQKUXKLLEY-OUKQBFOZSA-N 289.463 4.908 30 10 CJEE C=C(C)CN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1559679551 KSPGEDNZGNMCIA-OAHLLOKOSA-N 299.389 4.631 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 1559727492 UNRRRVOZZFKTMW-INIZCTEOSA-N 296.414 4.576 30 10 CJEE C=CC(C)(C)CCCNCc1cccc2ccoc12 1560578982 QVLHXQVOENBDJG-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)ccc1O[C@@H](C)COC 1560760273 BMKZYRKQLZPBDR-OLZOCXBDSA-N 297.826 4.520 30 10 CJEE CCCCCCC[C@H](C)NCC(C)(C)C(F)(F)F 1560780848 RLWGSPQDOPCOMX-LBPRGKRZSA-N 267.379 4.914 30 10 CJEE C=CCC[C@H](CC)NCC1(c2c(F)cccc2F)CCC1 1560888185 WNSZWJWYZCGZMK-AWEZNQCLSA-N 293.401 4.721 30 10 CJEE C=CCC[C@H](C(=O)NC1CC(C(C)(C)C)C1)c1ccccc1 1569737381 NFTGOZZTZUGRFP-ABHNRTSZSA-N 299.458 4.677 30 10 CJEE C=CCCCN(CC)C(=O)[C@@H](CCC)CC1CCCC1 1585918648 RLQVCWNEFCTIRR-KRWDZBQOSA-N 279.468 4.798 30 10 CJEE C#CCCCCCCN1C[C@@H](C)C[C@@H]1c1ccccc1 1617783940 QFJCFDNRRHYSEN-PKOBYXMFSA-N 269.432 4.653 30 10 CJEE C=C1CCC(CN[C@@H](CCC)Cc2ccccc2)CC1 1621518040 VHAPEKUPBYVGSP-IBGZPJMESA-N 271.448 4.734 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1c(C)cc(C)cc1C 1622847109 VWDFDBRFVLGAGO-UHFFFAOYSA-N 288.435 4.726 30 10 CJEE C=C(CC(C)C)C(=O)N(Cc1ccccc1)c1ccccc1 1626391316 XKGHSECWRVJPQG-UHFFFAOYSA-N 293.410 4.822 30 10 CJEE C=C(C)[C@@H](NCCCC(C)(C)C)c1ccc(F)c(F)c1 1642782104 QXAGOCNQWRLRQP-MRXNPFEDSA-N 281.390 4.998 30 10 CJEE C=C(CC)CN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 1645549676 LEJFHWCLCBZZGW-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE C=CCCCCCN1CCc2sccc2[C@@H]1CC 1652280715 FDFABMPMCJZGKV-HNNXBMFYSA-N 263.450 4.804 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccccc1OCCF 1652517140 UBTXOPWGBRUUEF-CQSZACIVSA-N 265.372 4.582 30 10 CJEE C=CCCCCCCCNCc1c(F)cc(C)cc1F 1656367111 XVTCEBVKAOOLLP-UHFFFAOYSA-N 281.390 4.889 30 10 CJEE C#Cc1ccc(CNc2ccc(C)c(C(F)(F)F)c2)cc1 1657438318 RUVLWVVMQOITEK-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C=CCC1(CNCC2CCC(C)(C)CC2)CCCC1 1657955605 FBPBYTHVUWSNGQ-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE C#CCCCCCCN(CCC)Cc1ccc(C)cc1 1658681867 LAPOKBOIWNVELO-UHFFFAOYSA-N 271.448 4.791 30 10 CJEE C=CCCCN(CC)Cc1ccc(Br)c(C)c1 1660512192 ARHVZRONEGYXGF-UHFFFAOYSA-N 296.252 4.546 30 10 CJEE C=CCCCCCCCNCc1ccc(F)c(F)c1 1662575574 JXYQFLZPGUHLNX-UHFFFAOYSA-N 267.363 4.581 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC(C(C)C)CC2)c1 1665185324 ZSZQQAIFUREZLR-UHFFFAOYSA-N 286.419 4.620 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2(C)CCC(C)CC2)c1 1675381630 HEIGZXNXWHLEDU-UHFFFAOYSA-N 286.419 4.810 30 10 CJEE C=CCCc1ccccc1NC(=O)NC1(C)CCCCC1 1676880309 GTBNETSFTUGGDT-UHFFFAOYSA-N 286.419 4.650 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1cc(SC)ccc1Cl 1679168541 KKYDHRLKXODKHH-JTQLQIEISA-N 298.839 4.538 30 10 CJEE C/C(=N\OCc1cc(Cl)ccc1F)c1ccc(F)cc1 1857936355 IDJAALNVYJAVLR-VXLYETTFSA-N 295.716 4.559 30 10 CJEE C/C(=N\OCCCc1ccccc1)c1cccc(Cl)c1 1857938078 PMCKHEFPJKRQQD-XMHGGMMESA-N 287.790 4.713 30 10 CJEE C/C(=N\OCc1ccc(C)cc1)c1ccc(OC(C)C)cc1 1857939054 PNXGVNZJNRFCRC-CAPFRKAQSA-N 297.398 4.723 30 10 CJEE C[C@H]1C[C@@](C#N)(C2CC(c3ccccc3)C2)CCS1 1875851892 FVUMFEWPJKFDEA-LYAPFXNSSA-N 271.429 4.606 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc2sccc2c1 1879644722 QJQJMKNIAFZORY-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CC(C)CCCCCN(CC#N)C1CCCCCC1 1884322674 FUAKWMRPQMEVKV-UHFFFAOYSA-N 264.457 4.751 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1cccc(Cl)c1 1888701611 PUMBVDUXIRCWNK-QGZVFWFLSA-N 271.791 4.704 30 10 CJEE CCCCCCCCCC=CC=CC(=O)OCC 1912051509 KMLFJWKLFIQNGY-UHFFFAOYSA-N 252.398 4.803 30 10 CJEE CCCCCCC[S@](=N)(=O)c1ccccc1Cl 1917908926 OHOMNFCNVBPTJD-KRWDZBQOSA-N 273.829 4.716 30 10 CJEE CCCCCCCCC(=O)[C@](O)(CC)c1cccs1 1919440570 UFJPZFDQWOXPQV-MRXNPFEDSA-N 282.449 4.665 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc([Si](C)(C)C)cc1 1919901730 APJZBDBPJMYLLZ-GOSISDBHSA-N 292.539 4.800 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H](C)CC(C)C)NC 1920808495 CIWFNZHBBVPLOX-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccc(Cl)o2)CC1 1921058533 BLRYGPBRUIURIY-WMEQCIOUSA-N 295.810 4.713 30 10 CJEE N#C[C@@]1(Cc2c(Cl)cncc2Cl)CCCC12CCC2 1921659789 YTRODXPPIBLZTC-HNNXBMFYSA-N 295.213 4.795 30 10 CJEE C=C([C@H](NCC)C1CC2(CCCCC2)C1)[Si](C)(C)C 1922971003 MDRYETRJALWSOS-INIZCTEOSA-N 279.544 4.759 30 10 CJEE C=C([C@@H](NC)c1ccccc1CC(C)C)[Si](C)(C)C 1922997067 SRBZXDNKFSNJIU-QGZVFWFLSA-N 275.512 4.579 30 10 CJEE CCCCCCC[C@@H](C)NCC1CC(OC(C)(C)C)C1 1924534326 CJQTUSREOWXYNM-KLAILNCOSA-N 283.500 4.919 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)ccc1Cl 1925498241 GRCFJVKQTUIXTQ-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)ccc1Cl)C(F)(F)F 1925538246 IKNFKRVHTBNRKJ-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE CC(C)c1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C#N)cc1 1962890685 WYTRGTVYLJQGTI-QGTPRVQTSA-N 270.420 4.543 30 10 CJEE C=CCC[C@H](C)[C@@](C)(O)c1ccc(Cl)cc1Cl 1996460137 GXMPXRKLJYRFEL-IINYFYTJSA-N 273.203 4.803 30 10 CJEE C=CCC[C@@H](C)N(C)[C@H](C)c1cccc(Cl)c1 2000910179 XAMDNFCMNKLNFU-CHWSQXEVSA-N 251.801 4.688 30 10 CJEE CCCCCCCN1CCC[C@@H](SCCC)C1 2004807018 SXSLCVDWBKFVML-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C=CCCCC[C@](C)(O)c1ccc(C)c(Br)c1 2009526914 SPDCBKQQPFZPNR-HNNXBMFYSA-N 297.236 4.711 30 10 CJEE CCCCCCCC[C@H](O)C(C)(C)CC(F)F 2015993919 JMQLVWVHIKJHGH-LBPRGKRZSA-N 250.373 4.779 30 10 CJEE C=CCCCCC[C@](C)(O)c1ccc(CC)s1 2019781264 GBXNAJOIWZHLCF-HNNXBMFYSA-N 252.423 4.655 30 10 CJEE C=CC1(C[C@@](C)(N)c2cc(Cl)sc2Cl)CCC1 2019854672 DJFJBUCHTXFKLX-GFCCVEGCSA-N 290.259 4.975 30 10 CJEE C#CC[C@H](C)Cn1ccc2c(Cl)cc(Cl)cc21 2020048002 QDPOGFHBQBDWPH-JTQLQIEISA-N 266.171 4.608 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccc(Br)cc1F 2025611911 FZUQUTIRPQQIRG-GWCFXTLKSA-N 298.199 4.878 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@]1(C#N)CCC(F)(F)C1 2030355655 AIVZAGDNHFGAME-NXEZZACHSA-N 269.257 4.684 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@H](F)C1 2032986221 YWBCCUYPVNJCST-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE CCCCCCC[C@@H](NCC)[C@]1(CC)CC1(F)F 2036138133 YBUJIISLDGJZHK-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1CCC(C)CC1 2040524955 GJDVTQZMJIRDJD-MYBQVCMBSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](C)[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C 2040535016 WQCOTVXOPTWZEN-QZWWFDLISA-N 251.458 4.639 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1csc2ccccc12 2040851992 ZYPABCHPOLRBNA-IUODEOHRSA-N 257.402 4.518 30 10 CJEE 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CJEE C=CCC[C@@H](NCCC)c1ccc(Cl)cc1CC 2256578860 JIDVACPWADXFBN-MRXNPFEDSA-N 265.828 4.909 30 10 CJEE CC(C)CCC[C@@H](C)CCOCC1(CS)CCC1 2257257812 XXZXDOHGAZDFJC-OAHLLOKOSA-N 272.498 4.956 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc(Cl)nc1Cl 2258723020 PAGBPFUZHRPEPL-AWEZNQCLSA-N 288.218 4.716 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@@H]1CCCCCC1(F)F 2259188262 SGGFTDSAYUVBFH-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1C(=O)O 2259238061 QXDARGGWHTZOBL-ZNMIVQPWSA-N 252.398 4.650 30 10 CJEE CCN(CCCCCCCS)c1ccc(F)cc1 2263205908 CJQVZRDAVSMAIU-UHFFFAOYSA-N 269.429 4.532 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264915963 SRARBLHAFHJWHS-XDQVBPFNSA-N 277.374 4.545 30 10 CJEE O=C[C@]1(CC2CC3(CCCC3)C2)CCCC12CCC2 2265200257 HDDVSMAKSPUIRH-GOSISDBHSA-N 260.421 4.886 30 10 CJEE CCCC1CCC(N(C)CC2(CS)CC(C)C2)CC1 2265306137 OBEYMFQKJZVCAZ-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE N#C[C@@]1(C[C@H]2CC(F)(F)C23CCC3)CCC(F)(F)C1 2266258195 AJYRUGPOICFEJS-WDEREUQCSA-N 275.289 4.531 30 10 CJEE C=CCCCCCOc1cc(C)c(Cl)cc1[C@@H](C)O 2270965738 QWVAGTNWPKYUCM-CYBMUJFWSA-N 282.811 4.827 30 10 CJEE C=CCCCS[C@H]1CCCCCCC(F)(F)[C@H]1NC 2271484198 AUOMOKRXUAKPAE-KBPBESRZSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1C(F)(F)C12CCC2 2271792916 SLCFPNJFSWEYRJ-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCC)CNCCOC 2271834942 MFTJVFMDLFUKOI-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE CSCC1(C[C@]2(C#N)CCC[C@H](C)C2)CC(F)(F)C1 2273945377 YFCZIRIVOJXATN-STQMWFEESA-N 287.419 4.875 30 10 CJEE CC1([C@H](N)CC#CC2CCCC2)CCCCCCC1 2274133314 WDKDKSRIAQBRCF-QGZVFWFLSA-N 261.453 4.648 30 10 CJEE CCC[C@@H]1CCC[C@](O)(CC#CC2CCCC2)CC1 2274180116 GVCULEGUPOESME-AEFFLSMTSA-N 262.437 4.682 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(CC)s1 2276262142 RRICFOMUGMZQEZ-OAHLLOKOSA-N 283.481 4.687 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H](CC)C1 2276605915 PSTMNXMOXUQDIV-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2(OC)CCCC2)C1 2280306719 FEQGETLNUWCMCC-BZUAXINKSA-N 295.492 4.787 30 10 CJEE CO[C@H](CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N)C(C)C 2283994891 VIZAGGJYXYHZCF-QKPAOTATSA-N 297.508 4.745 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)C[C@]1(C)COC 2284664677 GZSYOSPCGAOPKD-IAGOWNOFSA-N 284.440 4.645 30 10 CJEE CCCCCCCCCCC1[C@H]2COC[C@H]1CC(N)C2 2285797404 OKWYXOVOXJCFRN-MRLCAUJQSA-N 281.484 4.517 30 10 CJEE C#C[C@@H](Nc1nc(C)cc2sccc12)C1CCCCC1 2286157005 JPQHDQKGBKRZDU-OAHLLOKOSA-N 284.428 4.599 30 10 CJEE C=C1CCC(COc2cc(C)c(Cl)cc2[C@H](C)O)CC1 2286449777 QUKBCTQYDCWVSV-ZDUSSCGKSA-N 294.822 4.827 30 10 CJEE C=C(C)CN(CCCN(CCCC)CCCC)C(C)C 2286794330 LJAOLVOYSSZZKT-UHFFFAOYSA-N 282.516 4.565 30 10 CJEE C=C(C)CCCCOc1ccc(CNCC(C)C)cc1 2287408617 KJFQLULOPDKVKB-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@H](CC(C)C)CS1 2287885933 QPCACFGHKXZRGJ-CVEARBPZSA-N 298.540 4.946 30 10 CJEE C=C[C@H](C)CCNCCCCCCCCCCCCO 2289423016 FJZRJLLPBDPHSM-SFHVURJKSA-N 283.500 4.682 30 10 CJEE CCCNC[C@@H]1CC[C@H](C)C[C@H]1CC#CC1CCCC1 2289874700 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CC(C)[C@H]1CCC[C@](N)(C#Cc2ccccc2Cl)CC1 2295215256 VQQAWQKCHJAZRS-MAUKXSAKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nccn1C1CC1 2295592529 SJXWGCFBCFJJCK-KRWDZBQOSA-N 278.440 4.566 30 10 CJEE C=C[C@H](C)OCCCCCCCCCCCNC1CC1 2296251441 WVELFFRGXIQNIE-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE N#CCCCCCOCc1cccc(Cl)c1Cl 2301361993 FWNNRFNUUKJWCH-UHFFFAOYSA-N 272.175 4.594 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1[N+](=O)[O-] 2313628389 GKWJCEBPOYFGDI-UHFFFAOYSA-N 283.780 4.861 30 10 CJEE C=CC[C@H](C)SC[C@H](NC)c1cc(C)cc(Cl)c1 2313649297 WUZWHBBKMWWCDP-WFASDCNBSA-N 283.868 4.607 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC[C@@H](C)C(F)F 2316640523 IJWNXIJQHVWILM-XIKOKIGWSA-N 283.428 4.685 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCCCC[C@H]1C(C)C 2316706683 WZLXLUAJVKZXBI-DLBZAZTESA-N 250.426 4.722 30 10 CJEE C=C[C@](N)(CCCc1cc(Cl)cc(Cl)c1)C(C)C 2318642155 AAFKLSRCJHSJAA-HNNXBMFYSA-N 286.246 4.856 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cccc(C2CCC2)c1 2320658866 SSERIMJYFMSQLX-MRXNPFEDSA-N 263.812 4.747 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)c(C)c1F 2321114272 WHYRAOMNMMAKLL-CQSZACIVSA-N 269.791 4.650 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H](C)C(F)F)NCCC 2321132523 ZIULOOGQXXBENH-STQMWFEESA-N 261.400 4.638 30 10 CJEE C=CC[C@@H](C)C(=O)CC1CCC(C(F)(F)F)CC1 2321170232 QKHFGZHARUTRHA-VOMCLLRMSA-N 262.315 4.527 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)[C@@H]1CCC2(CCCC2)C1 2321234729 UKPUKOIUZCRPMT-PMPSAXMXSA-N 250.426 4.700 30 10 CJEE C=C[C@H](CCCCC)OCC1(CS)CC(C)(C)C1 2321709154 AQAADTQDARSWBF-CQSZACIVSA-N 270.482 4.874 30 10 CJEE C=C([C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC)[Si](C)(C)C 2330813244 HHHUITMNQULUBD-LTIDMASMSA-N 279.544 4.615 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@]12CCCC[C@@H]1CC2)NCCC 2334807371 UQFMFGDYVHDXEW-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1cccc(C)c1 2335098830 ORTALMRKXGTUPF-RDJZCZTQSA-N 277.477 4.734 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(F)c(Cl)c1 2335204888 XWZPKCJZBJYRDL-HNNXBMFYSA-N 299.842 4.733 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1CN 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CCN(CC1(CS)CC(C)(C)C1)[C@@H]1CCCC1(C)C 2345008812 UVWDCAIIIGYUPF-CQSZACIVSA-N 283.525 4.623 30 10 CJEE C[C@H]1CC(N(C)C[C@@](C)(CS)C(C)(C)C)C[C@H](C)C1 2352313489 HDAFAIJAYFISHE-CPUCHLNUSA-N 285.541 4.725 30 10 CJEE C=CCC(C)(C)C(=O)c1ccccc1OC(C)(C)C 2353082413 DJDXZUOWYSAXKO-UHFFFAOYSA-N 260.377 4.649 30 10 CJEE C=CC[C@@H](NCCC)C1CCC(CC(F)(F)F)CC1 2353607095 UFASTCHQXLKXJK-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE Cc1cc(C#N)ccc1COC(CC(C)C)CC(C)C 2360306221 OUPRDFWAPVOSDJ-UHFFFAOYSA-N 273.420 4.844 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H](C)CC1CCC1 2360315331 CGQZEBGYNMLXHW-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCCCCN1CCSCC1 14232921 TVKYKXAPUMUAML-UHFFFAOYSA-N 271.514 4.956 30 10 CJEE Cc1nc([C@H](C)Nc2ccc(C(C)(C)C#N)cc2)c(C)s1 36922141 PUZAWOHGNOKVAE-NSHDSACASA-N 299.443 4.734 30 10 CJEE Cc1ccccc1C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 37347986 HRJCNLMLSCIGIU-SFHVURJKSA-N 277.367 4.609 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](c1cccs1)C1CC1 42330693 LSZNNGMRNYFOMY-MRXNPFEDSA-N 286.375 4.631 30 10 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CC#CC[C@H](NCCC)C1(c2ccccc2)CCCCC1 109747497 BXLJIDHZRXUAQZ-IBGZPJMESA-N 283.459 4.670 30 10 CJEE CCCCCCCCCOc1cc(C(=O)O)ccc1C 109971302 NTNDNXPBDRVPNG-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@]1(C#N)Nc1cccc(F)c1 110028737 JEKIQPAICFFADI-RRQGHBQHSA-N 274.383 4.592 30 10 CJEE C=CCCC(=O)Nc1cccc(Cl)c1SC(F)F 110371854 RSUVNJXPMSBYIB-UHFFFAOYSA-N 291.750 4.559 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C#N 110449734 XNPZMVBVMYYCEF-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@@H](N)C1(c2ccccc2)CCC1 111726721 JRDUXXRDQPLKQI-QGZVFWFLSA-N 259.437 4.796 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@H]1CC(C)C 114348840 ZMJADRCZHKSTMH-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@H](CO)c1ccc(Cl)cc1 118656333 UNHOCOHJQVYTMJ-CQSZACIVSA-N 254.801 4.776 30 10 CJEE CCCCCCCCC(=O)c1ccccc1OCCOC 122142268 DMXQJSCPUINTRB-UHFFFAOYSA-N 292.419 4.645 30 10 CJEE C#CCCC[C@H](NCCC)c1cc2ccccc2s1 122969284 ZBPOXTCINLQORW-HNNXBMFYSA-N 271.429 4.746 30 10 CJEE C#CC[C@H](CC)N[C@@H](CCCCC)c1ccccc1 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WRJPOACLCBKZGY-JTQLQIEISA-N 287.831 4.645 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCC[C@H](CC(C)C)C1 2316710774 ZCVPFANGBGPZCH-NVXWUHKLSA-N 250.426 4.722 30 10 CJEE CCCCC#CC[C@H](O)c1ccc(Cl)c(Cl)c1C 2316982817 ITSBNCRTYFPORW-AWEZNQCLSA-N 285.214 4.919 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1COCC1(CS)CCCC1 2320148425 GALYPSRCYNGHIN-ZIAGYGMSSA-N 270.482 4.566 30 10 CJEE C=CCCCCCC[C@@H](N)c1ncc(C(F)F)s1 2320457440 KZGMMQJCMONQDK-SNVBAGLBSA-N 274.380 4.607 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1c(F)ccc(C)c1Cl 2321144934 LSXCMQLCVDKBHR-HUUCEWRRSA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1(C)CC2(CCC2)C1 2321234255 RTXCRCAOOABWFE-HOCLYGCPSA-N 250.426 4.700 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1ccc(Cl)cc1)C2 2321721683 AKWBATGRVPROIK-UHFFFAOYSA-N 259.780 4.702 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@@H](F)C1 2327231868 IMIFPKJORZCOBZ-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2332700785 PPWAAVIZCCYMQB-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)cc1)[C@@H](C)N 2335100712 MLSHEQXAVHHRFL-MLGOLLRUSA-N 295.879 4.982 30 10 CJEE C[C@H](CC1CCC1)[C@]1(C#N)CCCc2ccccc21 2335156747 PIDMPIHXASVLIE-RDTXWAMCSA-N 253.389 4.611 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 2337095323 ZJSIURDERHSWDO-CSMYWGQOSA-N 275.823 4.662 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2337096066 BYHXTGRHFDTOTR-HZMBPMFUSA-N 278.758 4.507 30 10 CJEE C=CC[C@](C)(NCC=C(C)CCCC(C)C)C(F)F 2338445298 RQVZEHKLEBXKAN-INIZCTEOSA-N 273.411 4.949 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CC)CC[C@H]1CNCC 2338725156 OFQUOQLXDCCQEB-NJAFHUGGSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc2ccc(F)cc2s1 2338733769 VRNODNAAYQDBDU-INIZCTEOSA-N 276.376 4.842 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cccc(C)c1C 2338737462 DMMJCEMNSHIMLZ-GOSISDBHSA-N 257.421 4.722 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cscc1C(F)(F)F 2338740242 CZBSFVNSQJTMMZ-ZDUSSCGKSA-N 289.366 4.796 30 10 CJEE C#CCCCCCCN[C@@H]1CCCc2sc(Cl)cc21 2338812964 LCYQEIBDFSKPCE-CQSZACIVSA-N 295.879 4.952 30 10 CJEE C=C[C@](C)(CNC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338989600 DEAFFDRZZHTEQF-OVWQWFNUSA-N 261.453 4.537 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCC[C@@H](C(C)(C)C)C1 2339908749 QERDPOXDODFNMJ-HZPDHXFCSA-N 255.405 4.685 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2343173703 YHSVCVGJKNNYEJ-MFKMUULPSA-N 280.774 4.587 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1CCCC(F)(F)C1)NCCC 2344341954 GGWVOGGNISXJNN-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](N)c1cccc(-c2ccccc2)c1 2344342352 JQKBOQJSLCNLGU-KSSFIOAISA-N 251.373 4.566 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H](C)CCCC(C)C)NN 2344477666 WJDWKKFERGNFNB-HZPDHXFCSA-N 268.489 4.663 30 10 CJEE CCC1(CC)CC(N(C)CC2(CS)CC(C)(C)C2)C1 2345010370 LPUPMEYQZSEXQC-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE C=CCC[C@H](CC1CCC(CC(F)(F)F)CC1)NC 2353166590 SGJXYWOVNAKYCN-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C)c2ccccc2[C@@H]1NCC 2360207679 JVDCWNVSZSUUMG-ZZCKCESHSA-N 289.488 4.911 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)[C@H](C)CC1CCC1 2360327398 NOKBQRXWANDRCV-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 37089172 LCPVNYKJIDLRAX-PNPHSEOMSA-N 288.410 4.879 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 37089261 AWMQRSSHFVMGJT-BXUZGUMPSA-N 274.383 4.633 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 37282182 IFIBKOINRASYDJ-NSHDSACASA-N 296.336 4.958 30 10 CJEE CCCCCCCCN[C@@H]1CCc2ccc(OC)cc2C1 42965195 CBOPMRLQJYNMQQ-GOSISDBHSA-N 289.463 4.503 30 10 CJEE N#CCc1cc(-c2cccc(F)c2)ccc1C(F)(F)F 47205223 IIWHNZWLIIPNSD-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CC(C)[C@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1 54827155 MJQKWECNYAYXOH-FMKPAKJESA-N 276.449 4.507 30 10 CJEE CC(C)(C)c1ccc(C[C@H](C#N)c2ccc(C#N)cc2)cc1 57744844 RDAMMRABUYREID-GOSISDBHSA-N 288.394 4.706 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)C1 71125199 WNHDEVJAZTWNAG-IUODEOHRSA-N 262.784 4.614 30 10 CJEE N#Cc1cc2ccccc2nc1NC1CCCCCCC1 71385731 WUWORPSBWCTCSD-UHFFFAOYSA-N 279.387 4.631 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1ccccc1F 73169171 FNXLXPBUKMKGMW-KRWDZBQOSA-N 280.383 4.569 30 10 CJEE CCCc1cccc2c(C(=O)CC#N)cn(CCC(C)C)c12 84864260 XIKXZTUDMJCONS-UHFFFAOYSA-N 296.414 4.736 30 10 CJEE Cc1ccccc1CSCCCCCCS 87098075 XOOXTLGVOGEPAD-UHFFFAOYSA-N 254.464 4.718 30 10 CJEE C[C@H]1CCC[C@]1(C#N)c1c(Cl)cccc1Cl 93955717 OKVXOLPGRSKQBI-TVQRCGJNSA-N 254.160 4.575 30 10 CJEE CC(C)(C)C1CCN(CC2(CS)CCCCC2)CC1 94577446 UNICTUUOUBMHFQ-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE Fc1ccc(OCC2(CS)CCCCCC2)cc1F 94584756 CUSYAVLWROTPBF-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE Fc1ccc(SC[C@@H](CS)c2ccccc2)cc1 94588745 KNGQJTAFMPHAFY-CYBMUJFWSA-N 278.417 4.631 30 10 CJEE CCCCCCCN(CCC(=O)O)c1c(C)cccc1C 105478881 JXWNPYTYIORLSV-UHFFFAOYSA-N 291.435 4.555 30 10 CJEE CCCCCCCCNCc1ccc(Cl)c([N+](=O)[O-])c1 105807502 OASWVUPOHOEVPD-UHFFFAOYSA-N 298.814 4.698 30 10 CJEE CCCCCCCCCCCC[C@@H](N)CSC 109742768 RNVAWZZHAVIJSN-OAHLLOKOSA-N 259.503 4.988 30 10 CJEE CN(Cc1ccccc1Cl)c1cc(Cl)ccc1C#N 110254843 ZKYSIPHHGMOAOY-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cc(Cl)ccc1C#N 110259917 FYPOCLRWFGVLDC-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCCNc1cc(C)nc(Cl)n1 124886416 GSVPXPMTJBXRGA-UHFFFAOYSA-N 283.847 4.991 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1cccc(SC)c1C#N 127017969 OSVJADUQGMDMTI-TZMCWYRMSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@H](N)c1sccc1Br 128352610 AFTYOTLPAWBUPW-LLVKDONJSA-N 290.270 4.871 30 10 CJEE CC#CCCn1c(-c2ccccc2)cc2ccccc21 128483272 DYRMJCGASKHFPI-UHFFFAOYSA-N 259.352 4.722 30 10 CJEE CCSc1cccc(N(CCC(C)C)C2CC2)c1C#N 136648338 BRGLKRQPXOIIOK-UHFFFAOYSA-N 288.460 4.685 30 10 CJEE CCCCCCCCNc1cc(F)cc(F)c1[N+](=O)[O-] 159391722 QETXPCZIDAOQJZ-UHFFFAOYSA-N 286.322 4.645 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](OCC)C(C)(C)C 159780569 GZUYTVWCTHZQSV-HUUCEWRRSA-N 258.446 4.549 30 10 CJEE N#Cc1cc(Nc2cc(F)ccc2F)ccc1C(F)(F)F 164385694 IJGDEJJGANOYKT-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCO[C@@H]1C1CC1 166221322 YURXEHLRCOHWJY-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE C=CCOc1ccccc1CN[C@H]1CCCC[C@@H]1C(C)C 215030835 ADRRSGBARNNHIN-MSOLQXFVSA-N 287.447 4.556 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(F)c1 215122796 YHOBKSLRMHFQMW-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCc1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1 216682125 WWJUTTDVFWJAAC-BENRWUELSA-N 264.368 4.762 30 10 CJEE CCCN[C@](C)(C#N)CCCCS[C@@H]1CCC[C@@H](C)C1 226544917 ZXELIGDCGRGEMT-ZACQAIPSSA-N 296.524 4.750 30 10 CJEE O=C1C=C(c2cc3cccc(Cl)c3o2)CCCC1 230165586 CQPFCSCLRLELBC-UHFFFAOYSA-N 260.720 4.613 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccnc(C)c1 232923713 RQVTXHXHVMFHON-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE Cc1cc(F)c(Nc2ccc(Cl)cc2C#N)cc1F 235915958 HMTCLEUECJGWQL-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C[C@@H](CC=O)c1ccc(OCc2ccccc2)c(Cl)c1 258592048 QLJZOMAEUNEELT-ZDUSSCGKSA-N 288.774 4.612 30 10 CJEE N#C[C@H](CSc1ccc2ccccc2c1)C(F)(F)F 300100561 NUAKSMMWBRPLOP-GFCCVEGCSA-N 281.302 4.634 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@]2(C#N)CCc3ccccc32)C1 311371541 IYBFMZQJZKKYHT-QGPMSJSTSA-N 253.389 4.611 30 10 CJEE CCCCCCC[C@H](NCC)C1(COC)CCCC1 312967592 MKMHHCHSUQJYJT-INIZCTEOSA-N 269.473 4.532 30 10 CJEE Cc1cccc(N[C@@H]2CCCC23CCCCC3)c1C#N 313002333 JETTXUKLMINKRM-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE CCCC1CCC(C=O)(CCC[C@H]2CCCO2)CC1 316789849 HMOXJVIQAIJYHD-CGZBRXJRSA-N 266.425 4.511 30 10 CJEE C=C[C@@H](C)C1(CNCC(C)C)CCC(C)(C)CC1 318026322 LICZIMMGAVCJGD-OAHLLOKOSA-N 251.458 4.641 30 10 CJEE C=CCCCC1(CNCC)CCC(CCC)CC1 318029729 FDSJSWFUBVOWKL-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCNCC/C=C/c1ccccc1 322904109 GURKJBWPKGDOGK-XNTDXEJSSA-N 257.421 4.816 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2csc(Cl)c2)C1 378997654 QDANNWZROSNELF-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C=C(C)CC[C@H](NCC)c1c(C)cccc1Br 383887255 TXWZLPMEHITUBF-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C=C(COCCC)[C@H](NCC)c1ccc2sccc2c1 387387040 ACHFULUQIBVIEV-KRWDZBQOSA-N 289.444 4.535 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(C)cc1Cl 387510668 YQYYOGPWOYLSGX-AWEZNQCLSA-N 279.855 4.771 30 10 CJEE C=C(CC)C[C@H](NCC)c1c(C)cccc1Br 393868821 VAEQACURWGNVHW-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](C#N)C(C)(C)C 397496489 QPGPRKUYFYCDMM-STQMWFEESA-N 278.827 4.519 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1nc2ccccc2s1 398181038 OFLQJOAMQUUYKN-STQMWFEESA-N 274.433 4.692 30 10 CJEE CC(C)[C@H](/N=C1/N[C@](C)(C(C)C)CS1)c1cccs1 398571080 LPWGADRWTMCYEO-ZFWWWQNUSA-N 296.505 4.552 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCOC1)NCCC 400991389 YMZKHEOLDLCWLL-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C#CCCCCC[C@H](NC)[C@H]1CCC[C@H](C(F)(F)F)C1 686690915 CTDPFHQMQMQWBE-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@H](O)C[C@H](CC)CC(F)F 687933941 OEDJJRQVNMMYPF-STQMWFEESA-N 250.373 4.779 30 10 CJEE C=CC[C@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688344435 DXOOLDHVYOQTDB-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCCCCCCCO[C@H](CNCCC)CC(C)C 695117468 NFOYSWWHCLXNKP-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@H](C)c1cccc(Cl)c1 695842262 LCWJJTGRDGOGDA-QWHCGFSZSA-N 278.827 4.661 30 10 CJEE C=C1C[C@H]2CC(Nc3c(F)cc(F)cc3F)C[C@@H](C1)C2 700214939 QPUMJEDUNZPKFQ-QYJAPNMZSA-N 281.321 4.651 30 10 CJEE C=CCCCCc1ccc(Br)c(F)c1F 701327993 YOLDWNGRLFLJCG-UHFFFAOYSA-N 275.136 4.626 30 10 CJEE C=CC(C)(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 701890144 BSKPBVWZTZKLNE-UHFFFAOYSA-N 282.309 4.591 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCC[C@@H](OC)C1 704894248 GFGRVGSXEVPKHA-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCCC12CC2 706250666 RSTJJQKLZLAAGY-HOTGVXAUSA-N 266.473 4.539 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCSC1)NCCC 708738727 SYOHEJJPHGMNSO-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1F 709103287 BZYFCMPXOILIAO-CMPLNLGQSA-N 295.785 4.728 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Nc2cc(C)ccc2Cl)C1 710743329 WTZIBFCADRZLMH-XOKHGSTOSA-N 293.838 4.556 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc1Cl 714278440 YTPGQNBIGUFWOO-HZUKXOBISA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cccc(OCc2ccccc2)c1 715037175 QKMVNHISILOEQA-DNVCBOLYSA-N 282.383 4.511 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)cc1OC 715716809 AFKPBGUACQNWAJ-BLLLJJGKSA-N 281.827 4.602 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(Cl)c1Cl 715720634 OUTKKTQDKQXGMD-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE C=CC[C@H](C)Oc1ccc2cc(Br)ccc2c1 715759321 PITYHUIJUDESHA-NSHDSACASA-N 291.188 4.946 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CC1CC(N)C1 718086363 DBTSSCBIMIVMHF-DAWZGUTISA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@]1(O)CCC[C@H](OCC)C1 720795032 BRNWDRBPNHZIEZ-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](C)CC(C)C)CC1 724618985 RAYDUXCKANJFSV-DOTOQJQBSA-N 251.458 4.783 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 823698445 SZNROIKMEPQJHT-VQIMIIECSA-N 295.426 4.509 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 1124687877 NNCLYNMXPHOLDV-DNVCBOLYSA-N 287.447 4.665 30 10 CJEE C=C1CCC(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)CC1 1129401892 AMKJHSVEQGNNJT-INIZCTEOSA-N 285.431 4.731 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cc(CCC)c(C)s1 1134514639 DQDRQMDCODFGIS-HNNXBMFYSA-N 291.460 4.580 30 10 CJEE C=CCC1(NCc2ccc(C3CC3)cc2)CCCCC1 1178723088 CKHWGZILKKWZPI-UHFFFAOYSA-N 269.432 4.933 30 10 CJEE C#C[C@H](CC)NCc1c(Cl)cccc1Oc1ccccc1 1181577921 WHQAVYRGYLOETA-CQSZACIVSA-N 299.801 4.634 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H]2CCC(C)C)cc1 1184227787 FGMKPLCFSYWVQC-WMZOPIPTSA-N 255.405 4.685 30 10 CJEE C=CCCCCCCCNC(=O)N[C@H]1CCCC(C)(C)C1 1234375442 LUKAGNIZPCMINW-INIZCTEOSA-N 294.483 4.781 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](CC)Cc1ccc(F)cc1 1308859851 OJYRJNSHXYUNDF-QAPCUYQASA-N 277.427 4.871 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCC=CCCC2)c1 1435023915 MMHZXWDPGYGKQG-MRXNPFEDSA-N 299.414 4.717 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H](C)c1cc(C)c(OC)cc1C 1435996620 BMJDDXMWFJNZJG-CQSZACIVSA-N 290.403 4.519 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCC2(CC2)C1 1436136236 ROFFMLIXCZCDSL-GOSISDBHSA-N 297.442 4.562 30 10 CJEE C#CCCCCCCN(CC)[C@H](C)Cc1ccsc1 1459998231 SZOJYPARPZYYCT-MRXNPFEDSA-N 277.477 4.585 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)CC1(C)CCCC1 1462021769 VBTQSIIXKZRWFA-UHFFFAOYSA-N 283.868 4.970 30 10 CJEE C=CCCC(=O)CSc1ccc2c3c(cccc13)CC2 1473077055 FUQPQPQXESSQHA-UHFFFAOYSA-N 282.408 4.566 30 10 CJEE C=CC(C)(C)CCN[C@H](CC)Cc1ccc(Cl)cc1 1474642554 PKOMWUALHQGVEA-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCCC[C@@H]2CC)CCCCC1 1525585185 XHOHUVZWGSTHEI-DLBZAZTESA-N 291.479 4.940 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC(C)C)CCC(C)C 1525887677 POPGXPOQBSRWAF-INIZCTEOSA-N 267.457 4.510 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CCCC)cc1 1532324548 GNKFGYCASVMDFU-HKUYNNGSSA-N 299.458 4.894 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cc(Cl)ccc1F 1537369877 VTOHVBYCRWJSSX-ZUZCIYMTSA-N 284.758 4.686 30 10 CJEE C=CCCCCSc1nnc(SCCCC)s1 1559342181 SOGAOTKJOJQMQU-UHFFFAOYSA-N 288.507 4.879 30 10 CJEE C#C[C@@H](N[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccc(Cl)cc1 1560864592 HXKXLDXHMKZOMK-IAOVAPTHSA-N 289.850 4.819 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(C(C)C)cc1 1562051989 YSSKPOWRTWXRAF-UHFFFAOYSA-N 274.408 4.630 30 10 CJEE CCCCCCCCCN1CCOc2ccccc2C1 1615363404 PKLSFOGCUDZHAB-UHFFFAOYSA-N 275.436 4.632 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2C[C@H]2C2CCCC2)c1 1628034008 OQDAQHMRHRVPAG-AEFFLSMTSA-N 298.430 4.668 30 10 CJEE CCCCCCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 1641945415 CVBRYWRGWRHMNQ-HZPDHXFCSA-N 295.492 4.606 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CC(c2cccc(F)c2)C1 1652806793 SFHZAEJTBPQUMQ-XOQVMUHJSA-N 287.422 4.796 30 10 CJEE C=CCCC1(CN[C@@H]2CCC[C@@H](C)[C@H]2C)CCCC1 1652814724 SJUCQFLYFIFTKI-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCCc1ccccc1NCc1nc2cc(F)ccc2o1 1656139338 OGSUVXRFTGTXFU-UHFFFAOYSA-N 296.345 4.698 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@@H](CC)C3)cc21 1658999061 WRNFKRGPLNNVJT-GDBMZVCRSA-N 283.419 4.603 30 10 CJEE C#CC[C@@H]1CCCN(CCCc2cccc3ccccc23)C1 1659142652 QAPZITHOLUKWHW-GOSISDBHSA-N 291.438 4.508 30 10 CJEE C=CCCCCC[C@H](C)NC/C=C/c1ccccc1 1659206099 HBJSMUXZMMFXEG-JMPLCFMRSA-N 257.421 4.814 30 10 CJEE 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284.440 4.952 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@@H]1CC 2295679043 LYIRYRSRAVXDJO-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 2295688978 LKAILJUVUGXEDR-ATIWLJMLSA-N 283.500 4.917 30 10 CJEE C=CCC[C@@](C)(N)c1ccc2oc3ccccc3c2c1 2295832689 HNNOEVMRBVNCPD-GOSISDBHSA-N 265.356 4.726 30 10 CJEE CCCCc1ccc(C(=O)C=Cc2ccccc2)cc1 2297630532 LWZUXUSMYACAIX-UHFFFAOYSA-N 264.368 4.925 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1C[C@H](SC)C1 2299397933 FPDSWOYIMNYKBN-RBSFLKMASA-N 257.487 4.596 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(Cl)cc(F)c1Cl 2304052493 OLZUPYREYOIHBK-GFCCVEGCSA-N 276.182 4.735 30 10 CJEE Fc1cc(CCCCC[C@H]2CO2)c(Cl)cc1Cl 2306207811 NHLKJJCQGKHTQR-JTQLQIEISA-N 277.166 4.634 30 10 CJEE CCCCCCCCCCN[C@H]1CC[C@@H]2CC[C@@H]21 2308176110 ISKVILBDULUGHA-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@H]1C[C@@H]2CNC[C@]2(C)C1 2309551774 RIRJNUCEQOIRMO-BBWFWOEESA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1C[C@H]1C1CCCC1 2311547685 QZVITYHGRVUTLI-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE C=C[C@@H](C)C[C@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2311556017 VGKWNNTUVANEPZ-SIXLDLHFSA-N 250.426 4.556 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@H]1N 2313525002 ROWKDPNLHHOJIC-FVQBIDKESA-N 267.482 4.537 30 10 CJEE CC[C@@](C)(C(=O)C1=CC[C@@H](C(C)C)CC1)C(F)F 2315009062 RFSONNWQSSZONS-ABAIWWIYSA-N 258.352 4.619 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C(F)(F)F)s1 2316688830 SRXZCGNQXAYQDL-LBPRGKRZSA-N 275.339 4.535 30 10 CJEE C=CCC(CC=C)[C@@](O)(CC)c1ccc(Cl)cc1 2316739251 PKNDWPZSBQYPDZ-INIZCTEOSA-N 264.796 4.706 30 10 CJEE Cc1c(C(=O)C#C[C@@H]2CC2(C)C)ccc(Cl)c1Cl 2317331984 ZTJRBVPNGCXTTR-SNVBAGLBSA-N 281.182 4.534 30 10 CJEE Cc1ccc(NN=Cc2c(C)n(C)c3ccccc23)cc1C 2318413591 NWNKYSZAZNUJJR-UHFFFAOYSA-N 291.398 4.550 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H]1C1CC1)NC 2319551548 SXNWVBVZKJWGMO-ZACQAIPSSA-N 251.458 4.761 30 10 CJEE C=CCC[C@](C)(O)c1ccc(Cl)cc1C(F)(F)F 2319557298 HKGNNHOCXDJPRI-LBPRGKRZSA-N 278.701 4.533 30 10 CJEE CCC(CC)(CS)COCC[C@@H]1CC[C@@H]1C1CC1 2319619306 FSOMGGHHZFMCOD-LSDHHAIUSA-N 270.482 4.566 30 10 CJEE CCC(CC)(CS)COC[C@H]1CC[C@@H]1C(C)(C)C 2320142289 CGDZEAYDPZESBI-KGLIPLIRSA-N 272.498 4.812 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](CC1CC1)C1CC1 2320800542 AIUMSZXNDMOBQF-IRXDYDNUSA-N 251.458 4.761 30 10 CJEE C=CCCCCOc1cc(Cl)nc2ccccc12 2321123861 XOZUGCNJOHWOPB-UHFFFAOYSA-N 261.752 4.623 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1sc(Cl)cc1OC 2321144133 GACRMWNVFCCPTH-CYBMUJFWSA-N 287.856 4.663 30 10 CJEE C=CC[C@H](C)[C@H](N)c1cccc(Cl)c1C(F)(F)F 2321145921 UISCWUYVUVWKKY-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1C[C@H](F)C1 2327425284 IFKNDNOCMLJAKZ-BZUAXINKSA-N 256.405 4.792 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccccc1F 2335103177 IFIYOWLDXSZKEF-BBRMVZONSA-N 281.440 4.564 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(CC)cc1 2335199863 GRHGYXHWGGMOGV-KRWDZBQOSA-N 275.461 4.503 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1CNC1CCC1 2335247799 INIABOWBJJJHOK-GFCCVEGCSA-N 279.424 4.525 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1nc(C)c(C(C)(C)C)s1 2337094048 LGPUCKKHODNBQY-OLZOCXBDSA-N 278.465 4.906 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2337096329 DEYRKFHEFXAYQU-HZMBPMFUSA-N 278.758 4.507 30 10 CJEE Fc1ccc(C(F)F)c(COCCCCCCS)c1 2338245497 FQBCAZIEQDYTHZ-UHFFFAOYSA-N 292.366 4.770 30 10 CJEE CCC=C(C)CO[C@](C)(CCCCCCC)C(=O)O 2338489656 ZCYDFOOTHSSPQV-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCC(CC=C)[S@@](=N)(=O)c1ccc(C(C)C)cc1 2338749423 JPPWDYKJCIUQCY-LJQANCHMSA-N 277.433 4.736 30 10 CJEE C=CCC(C)(C)CO[C@H](C)CCCCNC(C)(C)C 2340376319 IWWSKMKAXGASBX-OAHLLOKOSA-N 269.473 4.552 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCC[C@H](C(F)(F)F)C1)NCC 2341928515 IOBFDJRILPGGFS-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(C(C)C)c2)CC1 2343605318 FGLMTULEVVWUJA-SFHVURJKSA-N 257.421 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CCC2(CC1)CC2)NC 2344372146 PPECPAVMBFKCPQ-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(CC)c1 2344396780 PGXUYTNMSYKEJF-CRAIPNDOSA-N 259.437 4.810 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1C[C@H]1c1ccccc1 2344418746 CSSQRPIWVBMYIT-RYRKJORJSA-N 256.389 4.742 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 2344419807 JPQFDQGZAYGDAY-VXGBXAGGSA-N 276.342 4.917 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(C2(C)CC2)c1 2344470024 XFBONJLORBNLLQ-DLBZAZTESA-N 258.405 4.764 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)c1ccc(F)cc1 2352320699 RKQOUYAOWBJNAF-MRXNPFEDSA-N 283.456 4.634 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(F)ncc1C 2352406846 FMZRTXMVCVBEKE-OAHLLOKOSA-N 266.404 4.540 30 10 CJEE C#CCCCCCCC(=O)Nc1c(Cl)cccc1Cl 2352583236 QIEIMKPWIQJJAA-UHFFFAOYSA-N 298.213 4.906 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NN 2353927498 JNBXEGOBZDHJQF-BRSBDYLESA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358461472 MDCUXCBZBCIUJY-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1F 21502137 JQGIHDZIGFUYBK-SKDZVZGDSA-N 289.394 4.675 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334048 AWQBRIHOQLAMAI-FZMZJTMJSA-N 297.320 4.925 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 37935354 NRCFZWWOXJTTIG-CQSZACIVSA-N 277.154 4.670 30 10 CJEE Cc1ccccc1[C@H](C#N)CCCOc1cccc(F)c1 57686807 GQZLYBVKGFNUOU-HNNXBMFYSA-N 283.346 4.601 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)[C@@H]1CCCCC[C@@H]1C#N 62014243 JFKXAGZZUPAWIN-YSVLISHTSA-N 290.838 4.805 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C(C)(C)C#N)cc1 69371862 PFFPHJCBBCYQGF-OAHLLOKOSA-N 258.409 4.868 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccccc1Cl 70138314 WKLAEEBCMITNJS-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE Cc1ccc2[nH]c(Sc3cccc(Cl)c3C#N)nc2c1 70139523 OLZAXEASQALOOV-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1 70268706 BOASSFDYJSTVRT-UHFFFAOYSA-N 298.773 4.587 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 83203961 JTNXEVFYQPBZEU-FMIVXFBMSA-N 280.367 4.680 30 10 CJEE SCCCCSc1cc(Cl)ccc1Cl 87096248 DAVKNBOUQYWDGP-UHFFFAOYSA-N 267.246 4.796 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(C2(C#N)CCCCCC2)CC1 91903491 ZPHTUKNJVUULSX-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE COc1ccccc1SC[C@H](CS)c1ccccc1 94589611 SZTFPVIYJHBZML-AWEZNQCLSA-N 290.453 4.501 30 10 CJEE CC/C=C/C[C@@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 100032758 PMTMAFAPLCGXGK-JLSIVADVSA-N 292.419 4.529 30 10 CJEE in-vivo CCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 109895369 DHQRJIIHKDRVTQ-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCCCCCO[C@@H](CC)[C@@H](NC)c1ccccc1 110081532 DJRYUTDGTDGYKB-ROUUACIJSA-N 277.452 4.713 30 10 CJEE CCc1ccc(Nc2ccc(Cl)cc2C#N)cc1 110253118 CDTZYQJTNNSTLH-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE Cc1cccc(N(C)c2ccc(C#N)c(C(F)(F)F)c2)c1 110257664 IFWBFSJKDSTXQZ-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE N#Cc1cc(Cl)ccc1NCCc1ccc(Cl)cc1 110449725 YONNLXMHGXMJTH-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCc2ccccc2C1 115047754 VBHSNXXFVDAPGS-QGZVFWFLSA-N 258.405 4.721 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(C)o1 115062971 ZYJKKPMCOOCJBE-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE CCCCCCCC[C@H](CCCOC)NCCC 115747084 YNPFBXNMSPTYDN-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)CCOc2ccccc21 116256294 NHNMCGWOPZGHPQ-SFHVURJKSA-N 290.403 4.542 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccsc1)NN 122684833 JRIHIDZLHLXVHQ-MRXNPFEDSA-N 282.497 4.653 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)C(OC)OC 123541195 NJWZKSNYRWCSIH-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE CCSc1cccc(NCC2CCCCC2)c1C#N 126997204 CREXRDQJNTUQOH-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](OC)C(C)C 127656449 CFKJYLFUVQZXMO-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@@H](N)C1 133508555 LZNLNDLSKDQYNA-SJORKVTESA-N 269.473 4.540 30 10 CJEE CSc1cccc(N[C@H](C)c2cccs2)c1C#N 136624879 YTUBAYNUOKGGBW-SNVBAGLBSA-N 274.414 4.515 30 10 CJEE CCSc1cccc(NC[C@H]2CCCC[C@H]2C)c1C#N 136650760 SSZFDANAHNYQHA-ZIAGYGMSSA-N 288.460 4.908 30 10 CJEE CCCCCCCCCC[C@H](NC)c1c(C)nn(C)c1C 143444607 UQXMZEUUPSFVRU-KRWDZBQOSA-N 293.499 4.828 30 10 CJEE CCCCCCCCCCNc1cccc(C(=O)O)c1 145279984 LLDJEZXGRQRYHF-UHFFFAOYSA-N 277.408 4.937 30 10 CJEE CCCCCCCCNCCC[C@@H](CCN)C(C)(C)C 159383258 NZECVCSPFHQXES-KRWDZBQOSA-N 284.532 4.728 30 10 CJEE CCCCCCCCn1c(S)nc2cc(C)ccc21 161085659 KTYUXIUSMNFNGT-UHFFFAOYSA-N 276.449 4.994 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(OC)CCC(C)(C)CC1 164776116 BXYXKACVLVQFAU-INIZCTEOSA-N 281.484 4.696 30 10 CJEE C=C(C)CC[C@H](NCC)c1csc(Br)c1 165153431 PNPXWDPSVIVFSO-NSHDSACASA-N 288.254 4.518 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1[C@@H]2CCCC[C@@H]12 189883653 XUVRJOCMQKXQIS-IAGOWNOFSA-N 297.442 4.913 30 10 CJEE SC/C=C\CSc1ccc(Cl)c(Cl)c1 211718040 OPCZJVIMECZLCG-UPHRSURJSA-N 265.230 4.572 30 10 CJEE CCCCCCCCOCc1cccc(C#N)c1F 222007029 KRCQNIJSOVEBSB-UHFFFAOYSA-N 263.356 4.574 30 10 CJEE CCCC[C@H](CCC)N[C@H](CC#N)c1ccccc1 226039002 OULXMIRZQGVQFK-DLBZAZTESA-N 258.409 4.590 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 228421966 YYVLXODZABBZRS-VIFPVBQESA-N 286.268 4.774 30 10 CJEE CCCCCCCCOCc1cccc([N+](=O)[O-])c1F 229774272 AHMWTGVDFBEUBE-UHFFFAOYSA-N 283.343 4.611 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)cc1Cl 235567838 PJCCUGBHKGQPRJ-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Cl)ccc1C 235748042 MROQJXBJVAEVKN-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)c1scc(C)c1Cl 235806132 VEMAVVBTXUOWPV-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE Nc1c(Cl)cc(C(=O)C2=CCCCCC2)cc1Cl 236370211 MVTZECQMOLURGB-UHFFFAOYSA-N 284.186 4.649 30 10 CJEE CCC(CC)N(CC(C)C)[C@H]1CCCCC[C@H]1C#N 250372835 ASXHIESQUGLLFU-RDJZCZTQSA-N 264.457 4.605 30 10 CJEE N#C[C@]1([C@@H]2C=CC=C[C@H]2C(F)(F)F)CC2=CCC=C[C@H]2C1 250653860 NBQMXFQLDWKAEQ-LCGIIJARSA-N 291.316 4.713 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 252822385 AOKNMGYRJLBVNQ-QRVBRYPASA-N 277.496 4.724 30 10 CJEE CC[C@@H](C#N)c1ccc(C(C)C)c(Br)c1 260867591 KUKTUUODJXOWNX-JTQLQIEISA-N 266.182 4.590 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCCC(F)(F)C1 311161940 MOLSELBMVRFFNF-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCNc1nc(Cl)nc2ccccc12 312468430 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2239576946 DMOVEJDXWOFUFK-GOSISDBHSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@H](C)[C@H]1C 2240555606 IKIPZUWLEBLWBK-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC[C@H]1CC1(C)C 2240637341 HSVGHYKRHGCLHY-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCC)[C@@H]1CC1(C)C 2240666512 NIAXJFFGXJATQU-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE C=CCCCSCc1sccc1Br 2241916301 FEWQOCNMMCGILF-UHFFFAOYSA-N 277.252 4.710 30 10 CJEE COCCCCCCSC[C@@H](CS)C(C)(C)C 2250221854 NBYHOOPTFODDMP-CYBMUJFWSA-N 278.527 4.519 30 10 CJEE CCCCCCCCC[C@@](C)(NC)C(F)(F)F 2252928829 QYYXNGFVIGMLMC-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE C[C@H]1C[C@H]1CCCCC1(C=O)CCC(F)(F)CC1 2254577959 BEMNWQBFBCPILG-QWHCGFSZSA-N 258.352 4.597 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@]1(C)CC1(F)F 2259233446 OJRYXFPXKUMEQU-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCCCCCCC[C@H](O)CCCCCCOC 2259252483 GMECSNWSMSPWDP-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCCCC[C@@H](CCCC)OCCN 2263032241 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C#CC[C@@H](CSC1CC2(C1)CC1(CCC1)C2)C1CC1 2273925976 PRZHNMRFVOTCOV-HNNXBMFYSA-N 274.473 4.882 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(O)C#CC1CCCCC1 2274075643 ZBVOVIOLBNAJKQ-MSOLQXFVSA-N 262.437 4.538 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)CC#CC1CCCC1 2274133630 OKOWZGNEIDRRNV-CQSZACIVSA-N 275.823 4.526 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)CC[C@H]1C 2276635301 QLVUWRUIXZADJV-SJORKVTESA-N 269.473 4.661 30 10 CJEE CN(CCCCCCCS)C[C@@H]1[C@H]2CCCCC[C@H]21 2277507126 HFPOXBLBPPWBIC-FVQHAEBGSA-N 283.525 4.625 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2CCCC[C@@H]2CC)c1 2277791895 MJYBGAVPIOZHGE-DOTOQJQBSA-N 251.373 4.764 30 10 CJEE CC(C)C1CCC(C=O)(CC2(C)CC(F)(F)C2)CC1 2278141941 XAZFNVKWHXTNFY-UHFFFAOYSA-N 272.379 4.843 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cncc(C)c1 2278162617 PLDZAVVTLUHJEQ-QGZVFWFLSA-N 262.441 4.705 30 10 CJEE CCCCCCSC[C@@](C#N)(CC(C)C)NCCC 2278324714 YAYWMPQHKJCTSH-INIZCTEOSA-N 284.513 4.608 30 10 CJEE N#Cc1ccc(OCC[C@H]2CCCCC23CC3)c(Cl)c1 2279643783 LRGVAGDQSPBHRH-CQSZACIVSA-N 289.806 4.951 30 10 CJEE CN[C@H](CCC=CC#CC(C)(C)C)c1ccc(Cl)cc1 2284071292 QUSVPNQIBPUKTJ-QGZVFWFLSA-N 289.850 4.986 30 10 CJEE CC(C)(C)Oc1cccc(OC[C@@H](CS)C2CCC2)c1 2285783613 ZZRGKJAYNZOUQK-AWEZNQCLSA-N 294.460 4.589 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(CC(C)C)NC 2287097793 ZRBAORWBHVQRKZ-KRWDZBQOSA-N 296.524 4.774 30 10 CJEE C=CCCSC[C@@H](NCCC)c1c(C)cc(C)cc1C 2287192351 DQHHLLRGQUNGLR-QGZVFWFLSA-N 291.504 4.962 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@H](CC(C)C)CS1 2287885936 QPCACFGHKXZRGJ-HZPDHXFCSA-N 298.540 4.946 30 10 CJEE C=CCCCCCCCNCC[C@@H]1CC(C)(C)CCO1 2288001215 UMKOUJMEZQFTOM-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE N#CCN(C[C@@]12CCCC[C@@H]1CC2)C1CCCCCC1 2289044017 GQCPWUWDXLDFBB-AEFFLSMTSA-N 274.452 4.505 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(C)cc(C)c1 2289685468 CWQMGTRJSDXYOK-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(C)cc(C)c1 2289714245 TUUOJBFGFJUTQW-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CCNC[C@@]1(CC#CC2CCCC2)CCCC(C)(C)C1 2289902154 YCJOVHCMLNEMRC-IBGZPJMESA-N 275.480 4.766 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CSCC1(C)CCC1)NC(C)C 2290413018 FBVSRTRKIRLRQP-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE CCCCCCCC[C@@H](CC1(CC)CC1)OCC(=O)O 2291410391 LCLLILMZKFYYKM-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCC[C@@]1(OCC(=O)O)C=CCC1 2291650402 YHLBCRMUBKHXLD-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@](C)(CCCCC(F)F)OCCN 2292692831 GACYHWZRTITQKV-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1ccc(C)cc1 2293247427 ATOSLZMYORKYIQ-SFHVURJKSA-N 277.452 4.546 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C=C(C)CCC1 2293464410 UVAWDRVYBWQTQT-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCCCCCCC[C@](CCC)(OCCN)C(F)F 2293854235 FHIQSCVBMHEHEI-INIZCTEOSA-N 291.426 4.682 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1CCC1(C)C 2293925582 WFWBJSKZQOFRFS-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@H](OCCN)c1csc2ccccc12 2294664988 NJXPNBYUZDVMMS-MRXNPFEDSA-N 289.444 4.664 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CCC=C(C)C 2295675428 BEYSMSHCEJTMMS-ROUUACIJSA-N 283.500 4.952 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCCC)C(C)C 2295681983 LQSLEQQVRYRIIV-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE N#CC[C@H]1CCC[C@@](c2ccccc2)(C2CCCC2)O1 2295832495 FIILCMSNFIUISQ-QZTJIDSGSA-N 269.388 4.555 30 10 CJEE C=CC[C@@H](C)Sc1cc(CNC(C)C)sc1C 2298950696 UIDLICUTUQMOPY-LLVKDONJSA-N 269.479 4.611 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1csc(C(F)F)c1 2304023543 CIZRUQQYJIHQRH-LLVKDONJSA-N 259.365 4.549 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H]1C[C@H]1C)NCCC 2312083526 CMRRPEUDPIKIAZ-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=CCCSc1ccc(C)c(Cl)c1C[C@H](N)CC 2314019046 XUZPUWJVMKOWDB-GFCCVEGCSA-N 283.868 4.596 30 10 CJEE C=CCCC[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2318630117 UCPOITFZMGTBLT-HNNXBMFYSA-N 286.246 5.000 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1ccc(-c2cccs2)s1 2319250740 YIOPWEHKSWNNQT-NHYWBVRUSA-N 275.442 4.703 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320198277 WFGOVXXEBGIZCZ-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CCCCCCCN(C)C[C@H]1CC[C@H]1C(C)(C)C 2320201096 NLVQFKPYDGIIFC-HZPDHXFCSA-N 253.474 4.961 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C(C)C)CCC1)NCC 2321100523 CFZPEMNELKJETJ-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@@H]1C)NCCC 2321104239 DQXCNPRXJARNHH-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@]12CCCC[C@@H]1CC2 2321220371 RPYJAMFAPFFGJP-NCOADZHNSA-N 250.426 4.700 30 10 CJEE CSc1cc(SC2CC3(CCC3)C2)ccc1C#N 2328534441 JCHWYMQTPRZTAN-UHFFFAOYSA-N 275.442 4.705 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1 2334310585 ZUYYUGCRCIBWHH-TWMKSMIVSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[S@](=N)(=O)C[C@H]2CC[C@H](C)CC2)CC1 2335354649 XIDJMAKNARTHEJ-QOKNQOGYSA-N 283.481 4.606 30 10 CJEE NCCCCCCC#Cc1ccc(-c2cccs2)s1 2338803718 FXSZEKCZVIRCSW-UHFFFAOYSA-N 289.469 4.737 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCCC(F)(F)C1 2342538147 ORXGMOPCZSSFKP-ILXRZTDVSA-N 270.363 4.597 30 10 CJEE C=CCCCCCC[C@H](NC)c1ncc(C(F)F)s1 2343573486 KTLYIVHMGBOABT-NSHDSACASA-N 288.407 4.868 30 10 CJEE C=C(C(=O)c1cccc(C(C)C)c1)c1ccccc1 2343664516 DSSYAGIIIMBASS-UHFFFAOYSA-N 250.341 4.706 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2cccc(C3CCC3)c2)C1 2343809943 XSWOVSDERXLNSV-KBXCAEBGSA-N 253.389 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1nc(C)c(C(C)(C)C)s1 2344470473 ZMDKEINXNOLMQA-WBMJQRKESA-N 281.465 4.775 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CCC(C)(C)C1)NN 2344891856 ODXZMMFJMYHRNY-CVEARBPZSA-N 268.489 4.785 30 10 CJEE C=CCCC[C@@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352807027 YTYRHTAGCRREIA-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CCCCCCC[C@](C)(N[C@H](C)CCC(C)C)C(=O)O 2353862983 LTMYKELOXFAJIQ-WBVHZDCISA-N 285.472 4.605 30 10 CJEE CCCCCCCCCCO[C@H]1[C@@H](O)C[C@@H]2CCC[C@@H]21 2358902820 HHVVVPYFIIGJSP-XLAORIBOSA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2ccc(F)cc2s1 2360323857 LJSAJTIXBOSTAR-UHFFFAOYSA-N 290.359 4.718 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccccc1 37333831 QQCAEXFXBKNFNM-LLVKDONJSA-N 290.288 4.750 30 10 CJEE Cc1ccc(C#N)c(Sc2nc3ccccc3s2)c1 51598534 MUFXMHHKMUBYKC-UHFFFAOYSA-N 282.393 4.628 30 10 CJEE CCc1ccccc1/N=C1/NC2(CCC(C)CC2)CS1 53099399 ZHUNZUXQVWAGKW-UHFFFAOYSA-N 288.460 4.522 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1c(C)ccc(C)c1C 57687013 MKFYFEPTHDPCMV-GOSISDBHSA-N 293.410 4.997 30 10 CJEE Cc1ccccc1N/N=C/c1ccc(C(C)(C)C)cc1 59165145 VFAGDHMCDGPQKH-CPNJWEJPSA-N 266.388 4.739 30 10 CJEE CCCCCC[C@H](C)NC1CC(C#N)(c2ccccc2)C1 86037106 GVBQZPXANLWCDR-IVMQYODDSA-N 284.447 4.559 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@H](C(C)C)CC2)c1 86921941 DEPDRYOLSSWIOW-IRXDYDNUSA-N 255.405 4.685 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87996713 OJOCPWQYTFDVGJ-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)CC=O 91464647 VIEOZJHIACDEBG-MRXNPFEDSA-N 256.430 4.637 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccccc2C2CC2)CC1 94529330 RYFLPYFEJACFKG-PJOPYLDSSA-N 283.415 4.708 30 10 CJEE CCCCCCCCC(=O)Oc1c[nH]c2ccccc12 100035574 XQVOENWHIWENFC-UHFFFAOYSA-N 273.376 4.824 30 10 CJEE CCCCCCCCCCCCN[C@@H](CC(C)C)C(=O)O 106506793 MUOFDZUWOSTPGX-KRWDZBQOSA-N 299.499 4.996 30 10 CJEE C[C@@H]1O[C@H]1C[C@@H](C)c1c(Cl)ccc(Cl)c1Cl 107503823 RUMZFKBXRHHDAW-FWWHASMVSA-N 279.594 4.928 30 10 CJEE CCCCCCC[C@H](NCC)c1ccccc1F 109745589 WIVVWIGZWFSIID-INIZCTEOSA-N 251.389 4.837 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2c(c1)CCCC2 109782577 FCYMTYDBLCLKEM-GOSISDBHSA-N 260.421 4.959 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](CCC)CC[C@@H]1NC 110083953 WJLSAVASAACXLR-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](CC(F)(F)F)NCC 110442055 QUNUHDOZDJPOTQ-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCC(=O)c1ccc(N)cc1Cl 115066767 JDSNERJZGHMXIS-UHFFFAOYSA-N 267.800 4.856 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccc(C)cc1 115858167 GYOAKLQHLOFROC-QGZVFWFLSA-N 271.404 4.922 30 10 CJEE CCCCCCCCCCn1ccc(C[C@H](C)N)c1 117598679 CNZSUENNFBJESB-INIZCTEOSA-N 264.457 4.519 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1cccc(F)c1 118658438 UJMFSARKHGSXBP-HNNXBMFYSA-N 266.356 4.745 30 10 CJEE N#Cc1cc(Nc2c(F)cccc2Cl)nc2ccccc12 122254701 JQEGVPJXRYDLTL-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCCCCCCC[C@H](CCC1CCCCC1)NN 122394182 YYITWRYCFNLQOP-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(C(C)C)cc1)NN 122582501 JQDOUHIDGAHRCL-IBGZPJMESA-N 290.495 4.935 30 10 CJEE N#Cc1cc(Cl)nc(Nc2c(Cl)cccc2Cl)c1 122834376 WFGXVIMJLRVJMN-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC[C@H]1C#N 124838533 CNOUCPZEQLDRDM-DLBZAZTESA-N 264.457 4.799 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(Cl)cc1)NN 125476510 ZFOLSVDZWFLMAN-QGZVFWFLSA-N 296.886 4.855 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(F)c(Cl)cc1F 125657517 VWYOTXWWCBNCFN-CQSZACIVSA-N 273.754 4.625 30 10 CJEE CCSc1cccc(NCc2ccc(C)s2)c1C#N 127038535 PVJWLGPIBHPVLF-UHFFFAOYSA-N 288.441 4.652 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@](C)(CC)OCC 130966970 RWILIOUYQHRZDD-SJORKVTESA-N 286.504 4.554 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]1(OC)CCC[C@H](C)C1 131052985 PGUUCACFXWRLQE-OKZBNKHCSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H](C)CC)NN 131278976 KGAMSBUJKVYODW-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CCSc1cccc(NCCCc2ccccc2)c1C#N 136630137 TUWOFJHNGBUQPT-UHFFFAOYSA-N 296.439 4.715 30 10 CJEE CCCCCCCC[C@H](NCC)c1scnc1C 140392559 NTOKHZRIXJGWSA-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCNc1ccc([N+](=O)[O-])c(OCC)c1 159392453 XIMFGNQWYAFDSO-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCO[C@@H]1C 162279787 BIRFJTDPPYBPDW-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE Cc1cc(C)c(C)c(OCc2ccc(C#N)cc2Cl)c1 162977324 BEJIXIPXNZOFKC-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCCCCCC(=O)c1ccccc1OC(F)F 164717545 VAIFBIYCZQMECL-UHFFFAOYSA-N 270.319 4.831 30 10 CJEE CCCCCCC[C@H](NC)[C@H](OC)C1CCCCC1 167297844 XPAKMNQLULOFLU-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(F)c(F)c1 170570453 UARWOYCYUIMZGD-UHFFFAOYSA-N 297.389 4.835 30 10 CJEE Cc1cc(C#N)ccc1Nc1cc(Cl)ccc1C 203437900 QQBIWHBQTSLQRF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)C 219706450 GVAJUHANGBGDRX-OAGGEKHMSA-N 251.458 4.639 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222215343 INHRHABVIPNKLC-XMTFNYHQSA-N 290.495 4.996 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)C(C)C)C1 223345580 JMYHKSLFDFEOGB-HZMVEIRTSA-N 278.484 4.707 30 10 CJEE C#CCCCCN[C@H](CCC)c1ccc(Cl)cc1 229640847 BQWQTGNVJUZQNX-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)c(N)cc1C 232071261 KUQPWIWKYUGNOG-UHFFFAOYSA-N 276.424 4.575 30 10 CJEE CCCCCCCCCCCCC1(O)CC(OC)C1 232930146 MDDVXENFZZBCTC-UHFFFAOYSA-N 270.457 4.837 30 10 CJEE C#CCC[C@H](NCCC)c1cc(Cl)sc1Cl 233121910 VAWWYPYDHZUCIU-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C)cc1Cl 233532570 YACKWLDLTICJFU-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C[C@@H](CNc1ccc(C#N)c2ccccc12)C(C)(C)C 235156009 FRWTUIJUZKRPOY-ZDUSSCGKSA-N 266.388 4.806 30 10 CJEE C[C@@H]1CCC[C@H]1CNc1ccc(C#N)c2ccccc12 235291979 XZFRKNNZSDGVAE-HIFRSBDPSA-N 264.372 4.560 30 10 CJEE Cc1nc(SCC2(CS)CCCCCC2)oc1C 235956730 FXDKKMGHVYBFPO-UHFFFAOYSA-N 285.478 4.654 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]3CCC[C@H]32)C1 250694739 LKDUSTZQYSXJDA-DUQPFJRNSA-N 288.479 4.605 30 10 CJEE Cc1ccc(-c2cc(Cl)c(O)cc2Cl)cc1C#N 306108763 VAEUETRFVFGPGY-UHFFFAOYSA-N 278.138 4.546 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C1CCCCC1)NN 311709777 NNXVAEPBMAMUDV-RDJZCZTQSA-N 268.489 4.785 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCC[C@@H]1c1ccccc1 312506480 ZWUAGFFRWKTBCL-QZTJIDSGSA-N 271.448 4.905 30 10 CJEE CC[C@H](Nc1cccc(CC#N)c1)c1cccc(C)c1 313434713 IEDRIDOMZWESFX-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccccc2C(F)(F)F)C1 316757848 IRGJLLSRAQHUHK-IUODEOHRSA-N 284.321 4.643 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(C)cc2Cl)C1 317371334 VYHAPAIFLOODTL-YOEHRIQHSA-N 278.823 4.976 30 10 CJEE CC[C@](O)([C@H]1C[C@H]1C)C1(C#N)CCC(C(C)(C)C)CC1 321442767 MVNNOXYKLFHBCL-LNHOEBPRSA-N 277.452 4.530 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 322395070 PTJFBDQKTKXTSR-HNNXBMFYSA-N 262.784 4.592 30 10 CJEE C=CCCC(=O)Nc1ccccc1-c1c(F)cccc1F 368789242 CJAQXPIULQIDSK-UHFFFAOYSA-N 287.309 4.537 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1CCCC1(F)F 382241137 WDUUWAMZFBUNQS-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@@H](NCC)C(C)(C)OC(C)C 384155372 USYFYPCHAVVIGS-OAHLLOKOSA-N 257.462 4.529 30 10 CJEE CC(C)C(C(C)C)[C@H](C#N)Nc1ccccc1Cl 385348430 LXVSLJSZQSHKRA-AWEZNQCLSA-N 264.800 4.572 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc2sccc2c1 386614224 IODFJWFCQZVIAM-INIZCTEOSA-N 271.429 4.746 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 394193293 CMJOAZOUUBYEBG-RVKKMQEKSA-N 276.468 4.511 30 10 CJEE N#C[C@@H](CNc1c(F)cc(F)cc1Cl)C1CCCCC1 397099987 CVEOVLJPCDXTDJ-NSHDSACASA-N 298.764 4.750 30 10 CJEE N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 514260125 NOUCDVOLCSDVIV-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE Cc1[nH]c2ccc(C(C)C)cc2c1C(C)(C)CC#N 527396269 NPOJSMSGAKETDW-UHFFFAOYSA-N 254.377 4.791 30 10 CJEE C=CCCCN(C)C(=O)c1cccc(Oc2ccccc2)c1 605645251 KXIDWDGQDQIGGG-UHFFFAOYSA-N 295.382 4.517 30 10 CJEE C[C@H](CC1CCCCC1)N[C@H](C)c1ccc(C#N)cc1 689829309 XNCNJBYQCDLTLY-HUUCEWRRSA-N 270.420 4.568 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](OC)C1CCC1 692799667 ZMLSXOLBPNTKEH-SJORKVTESA-N 270.457 4.693 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1F 695757249 LHAXQWBSNXKHGE-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=CCCCCCC(=O)c1ccsc1Br 699086658 PLAHYLNZDIYOPR-UHFFFAOYSA-N 287.222 4.830 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(F)c(C)cc1F 703995027 BEPIBRFRFXJCFZ-ZDUSSCGKSA-N 281.390 4.916 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCC[C@H]1N 708062636 GKNABHZINZQGJH-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE C[C@@H]1C[C@H](NCCCCC(C)(C)C#N)CC(C)(C)C1 708352135 FAIIQMNJCSEHME-CABCVRRESA-N 264.457 4.511 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CCSC1 708730164 MUCDHSSVUXWWHA-AWEZNQCLSA-N 256.455 4.839 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 709103289 BZYFCMPXOILIAO-PWSUYJOCSA-N 295.785 4.728 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCCC[C@H]1C(C)C 709250939 CFKAXYLJZRAEEC-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 710505587 HDEXINIBAFQRKI-CLLJXQQHSA-N 258.352 4.597 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccccc1C(F)(F)F 710606840 IOXRFXDJSHNTFD-ZDUSSCGKSA-N 291.744 4.889 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 710640103 FBLAPHVDOYLBQV-HRCADAONSA-N 271.876 4.817 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(Cl)c1 715706424 RSPHPKRFTDVARV-GXFFZTMASA-N 257.830 4.654 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1CO1)NCCC 718611532 AUQIYHGFTRCQIT-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H](C)COCc2ccccc2)C1 719594017 WRANXHBUCWIAIW-YQVWRLOYSA-N 288.431 4.625 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1(CC)CNC1 722915744 UQSMQCUNYHCVNV-QGZVFWFLSA-N 283.500 4.658 30 10 CJEE CC[C@@H]1C[C@H]1CC1(C=O)CCC(C(C)(C)C)CC1 723108169 WCYQLJVLFGZCFY-JFBXJRRNSA-N 250.426 4.844 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 723667385 FLLRHWRQZFYOIH-IXDOHACOSA-N 276.468 4.655 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccccc2Cl)CC1 724549894 ROILAIHXIZTPEI-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)CCCC[C@@H]2C)CC1 724554129 TZAKTNMNXGLZGH-FUHWJXTLSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@H](N)c2coc3ccccc23)CC1 724574431 BQDJNQVKFMENPL-INIZCTEOSA-N 255.361 4.569 30 10 CJEE CC1(C/N=C2/N[C@@H](C3CCCCC3)CCS2)CCCC1 725105351 OMTWFPBIHWVPTA-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE CCc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 725408727 LNBXTJYDONQBBP-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE CC(C)[C@H](C=NOCc1ccc(F)cc1)c1ccccc1 794535061 QTQIPARIBLKYSK-SFHVURJKSA-N 285.362 4.768 30 10 CJEE CC/C(=N\OCC1CC1)c1ccc(-c2ccccc2)cc1 821219249 JQEMGHMWXXAPEX-FMQUCBEESA-N 279.383 4.894 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1cncs1)c1ccccc1 883326691 JJBHLNNMQJVKRI-GDBMZVCRSA-N 286.444 4.891 30 10 CJEE C=CCC1(NC(=O)c2cc3ccccc3s2)CCCCC1 1128926758 UEYWNDANVRVPCZ-UHFFFAOYSA-N 299.439 4.910 30 10 CJEE C=CCCC1(CNC(=O)CC2CCCCCC2)CCCC1 1130910038 RWUGORLTCUWBHA-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 1139357234 VNXATTDJMWNEDG-HNNXBMFYSA-N 298.430 4.550 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1cccc([C@H](C)CC)c1 1207767829 VOQNLSOKXXQXBT-CQSZACIVSA-N 274.408 4.630 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1CC 1248435228 MUHFQSPWKQEGDV-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C=C(CCC)CCC)c1 1264966338 UUDDIJRZOUJAJB-UHFFFAOYSA-N 283.415 4.547 30 10 CJEE C=CCCCCCCCNC(=O)C1CCCCCC1 1274903818 CLSMSOBOPIXZGU-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CC[C@H]1N(C[C@H](C)CC(C)C)CCCC1(C)C 1307730237 WIICKCRXORLXCJ-HZPDHXFCSA-N 251.458 4.735 30 10 CJEE C=CCC1(CNC(=O)Nc2ccc(CC)cc2)CCCC1 1310066455 XXGIUSLRCUIMIL-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@H](CC)CC1CCCCC1 1436095102 JZNSZRLEDITKHI-IAGOWNOFSA-N 277.452 4.550 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)CCc1ccsc1 1462336527 WERBRDMPZPZANY-QFBILLFUSA-N 299.483 4.846 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc3cccc(CC)c3o2)C1 1462411797 ABJPCVZLRNZTSH-HNNXBMFYSA-N 283.415 4.783 30 10 CJEE C=CCN(CCc1ccccc1)[C@H](C)c1ccc(F)cc1 1473137599 XGIRWVCHDQMEIV-MRXNPFEDSA-N 283.390 4.617 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc(OC(C)(C)C)c1 1473663448 QCZQKDBEDIGQKZ-CALCHBBNSA-N 285.431 4.547 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@H](C)[C@@H]1CCC 1478605429 KDMASROGKNUYMS-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=CC(C)(C)CC(=O)N(C(C)C)[C@H](C)c1ccsc1 1525801030 QZKSQUAXHCDPGS-CYBMUJFWSA-N 279.449 4.648 30 10 CJEE CCCCCCCCCCC(=O)Nc1cccnc1F 1526674908 LHOOINHNLPWINY-UHFFFAOYSA-N 280.387 4.690 30 10 CJEE C=C1CCC(CNC(=O)C[C@@H](C)CCCCCC)CC1 1534406397 OVVOLNJSZRRCSZ-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CCCc1ccccc1 1535099450 DZHMYBPXZDXJGO-PKOBYXMFSA-N 299.458 4.603 30 10 CJEE C=CCCN[C@@H](CC(C)C)c1ccccc1OCC(C)C 1616653863 MPGGNNGQNIVDNX-SFHVURJKSA-N 289.463 4.974 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccccc1OC(C)C 1616764782 XELOYVDXZYRREF-INIZCTEOSA-N 275.436 4.871 30 10 CJEE C=CC[C@H]1CCN1Cc1ccc([C@H](C)C(F)(F)F)cc1 1620648776 CRPPPFFBOACKIK-WFASDCNBSA-N 283.337 4.503 30 10 CJEE C#CCCCCCCNc1ccc(OCCC)c(C)c1 1621464511 GNAZRIOEKXFVLQ-UHFFFAOYSA-N 273.420 4.779 30 10 CJEE N#Cc1ccc(CN2CCC=Cc3ccccc32)c(Cl)c1 1645293960 BDEJLGGQKUFRMR-UHFFFAOYSA-N 294.785 4.635 30 10 CJEE C=CCCCCCN(C)Cc1ccc(OCC)cc1C 1651931778 CLHGHABUVXKPOD-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=CCN(CCc1ccco1)C[C@@H]1CCC[C@@H](CC)C1 1652018066 DAOFMBKOTWLFAH-IAGOWNOFSA-N 275.436 4.527 30 10 CJEE C=CCCCCOc1c(Cl)cccc1Br 1652165331 QUJVEBPERDENDP-UHFFFAOYSA-N 289.600 4.838 30 10 CJEE C#CCN(C[C@@H](C)C1CCCCC1)[C@@H]1CCc2ccccc21 1653215451 VXECWBWKWIEFCW-DYESRHJHSA-N 295.470 4.826 30 10 CJEE C=CCC1(NCCc2ccc3ccccc3c2)CCCC1 1654249564 ROMYJEJOGUQCBA-UHFFFAOYSA-N 279.427 4.861 30 10 CJEE C=CCCCOc1ccc([N+](=O)[O-])cc1Cc1ccccc1 1656166367 YIEYLHUEABVOAI-UHFFFAOYSA-N 297.354 4.531 30 10 CJEE C#CCCCCCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 1657431719 OREDXGSXQIRADW-WMZOPIPTSA-N 287.447 4.945 30 10 CJEE CCCCCCC[C@H](C)NCC1(OC)CCCCC1 1657812176 CCYJHHSDPJOCLE-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2ccc(F)cc2)C1 1658159324 AZSGWSODEALACR-ZVZYQTTQSA-N 275.411 4.796 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F 1660036844 WDUNCECDXSICPH-OLZOCXBDSA-N 267.363 4.750 30 10 CJEE 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Cc1cc(C#N)cc(C)c1OCc1cccc(Cl)c1C 1913190209 OGFSBWMCJACCMR-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCC(CC)N(CC)c1ccc(C(F)(F)F)c(C#N)c1 1916323364 IKMNXEVNWUUCOV-UHFFFAOYSA-N 284.325 4.592 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)[C@H](C)C(C)C 1917996192 JCTYVTKNBIRYTH-RHSMWYFYSA-N 261.475 4.828 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@](C)(O)CCCCCCC 1920931839 DNRWANZIWMPNJY-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CCC2)C1 1931999769 DREXFDPKNRZNLV-YVWKXTFCSA-N 296.458 4.760 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1cscc1Cl 1942339874 SHTJEYZTEPHYHV-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CC(C)(C)N(Cc1ccccc1)C[C@H](CS)CC1CC1 1953969797 FWZVHUBACNQYNB-QGZVFWFLSA-N 291.504 4.633 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)sc1C 2005345587 UNFVXMXANSUYGL-ZWNOBZJWSA-N 271.857 4.963 30 10 CJEE CCCCCCCCN1CC[C@@H](SCCC)C1 2019196923 USACMEMSJZEYPW-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C=CC[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 2021045345 MXVDKEQNYYPHBN-CQSZACIVSA-N 270.203 4.534 30 10 CJEE 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C=CCCCCCCCCC1(N)CC2(CCOCC2)C1 2207441940 MJQMVKVGFKDMNQ-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CC[C@H](C)C1 2220082832 FEEVJGLZTYTZDZ-HOCLYGCPSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@]1(C)CCCSC1 2220092215 KVSIMXBUGPYLQX-CVEARBPZSA-N 270.482 4.797 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2220768258 PDXFVTLKXZQUDV-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE C[C@@H](NCC#CC(C)(C)C)c1c(Cl)cccc1Cl 2222834816 GTZHLZVRJHAJOH-LLVKDONJSA-N 284.230 4.694 30 10 CJEE C=C[C@H](CCCCC)OCc1cnc(Cl)c(C)c1 2223286188 OHRRAPPIXLBUQC-CQSZACIVSA-N 267.800 4.695 30 10 CJEE CCc1cc(Cl)ccc1N[C@H](C)CC(C)(C)C#N 2223752868 JFGVXBYUGVLXIV-LLVKDONJSA-N 264.800 4.643 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1CC[C@@H]1C(F)(F)F 2224372098 XQLMRIUJLWKOTN-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=CCCCCCCNC[C@H]1C[C@H]2CCC[C@H](C2)C1 2225353073 RKBGEUBQHSVTAF-BCDXTJNWSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCCO[C@@H](CC)[C@H](C)NCC 2225678661 IPPFXKOIYDGUDB-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@H](C)OC)cc1 2226587360 XTNYBFAVRAYNOD-YOEHRIQHSA-N 264.409 4.788 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1cc(C)oc1C 2227269511 AAYGQUOCTKLJFZ-QGZVFWFLSA-N 263.425 4.987 30 10 CJEE C=CCCCCCCCC(=O)c1cccc(CC)n1 2227282177 JMHHLVASPYXYFN-UHFFFAOYSA-N 259.393 4.743 30 10 CJEE C=CCCCCCCC[C@H](O)C1C[C@@H]2[C@@H](C1)C2(F)F 2227291987 WJAZJZRNBMRLLN-KFWWJZLASA-N 272.379 4.555 30 10 CJEE C=CCCCCCNCCCCCCOC(C)(C)C 2228758642 OYWPZJNQENYJQY-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE Cc1cc(Cl)cc([C@H](C)Nc2ccc(C#N)cc2)c1 2229669766 FRVLVSNIGRZRKZ-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C=C[C@@H](CCCCC)OCCCCCN[C@H](C)CC 2231023272 BRUQHFAOCCFPQC-SJORKVTESA-N 269.473 4.696 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@H](N)[C@@H]1C 2231024983 KMKLMLKZPVLPHJ-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](O)C[C@@H](CC)C1 2231073751 VBZMNALNEZVSFJ-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCCOC[C@@H](CN)C(C)C 2231078362 GVJSHVRAOSSUPK-QGZVFWFLSA-N 271.489 4.765 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1CCCOCC1 2231907157 UDLONYUBRPXULY-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE C#CCCN(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)CC(C)(C)C 2233542903 HOSSWIQZIOOIRU-PIIMJCKOSA-N 275.480 4.574 30 10 CJEE FC1(F)[C@H]2CCC[C@@H]1C[C@H](CC[C@@H]1CCC[C@H]3O[C@H]13)C2 2233689502 HYJZTKFGVHRWBH-RWHKXBQASA-N 284.390 4.796 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1c(C)nn(C)c1Cl 2235513798 MWQKEAHQVKQMER-CQSZACIVSA-N 297.874 4.559 30 10 CJEE C=CCCCCCCCOc1cccc2c1[C@@H](N)CC2 2235520564 AOXBJVFTVQBYSD-INIZCTEOSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCCN1CCCC[C@@H]1[C@H]1CCCO1 2235529001 QACWRWNKUKLBDS-QZTJIDSGSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCCOc1cccc2c1CC[C@@H]2O 2235542839 WYKVMDASMCVNBY-KRWDZBQOSA-N 274.404 4.572 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cc(F)cc(Cl)c1 2238000458 JABNVSSHXULIKE-SECBINFHSA-N 292.716 4.663 30 10 CJEE COC1(CS[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CCC1 2239142921 WHGSAJGSPDQSMJ-RBSFLKMASA-N 295.492 4.643 30 10 CJEE CC(C)N[C@](C)(C#N)CCSCCCCCCC1CC1 2239365513 OMGMMDIBUOGSFZ-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE CCCCCCCCCCOc1ncc(C=O)cc1C 2239496610 AUZQPZJVFNORRV-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE C=C[C@H](CCCCC)OCC1CCC(NCCC)CC1 2239497479 AQXLHCYEKFQLOP-DAWZGUTISA-N 281.484 4.696 30 10 CJEE O[C@H](C#Cc1cccc(Cl)c1)c1cc2ccccc2s1 2239561747 FODZUGUFMJWWPV-OAHLLOKOSA-N 298.794 4.640 30 10 CJEE C=CC1(C[C@@H](N)[C@@](C)(O)CCCCCCCC)CCC1 2240645334 SSBOMCAIJHQTAK-SJORKVTESA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](C)NCc1nccc(C)c1C 2240654282 QADUPOUXVDUCJR-INIZCTEOSA-N 276.468 4.927 30 10 CJEE CCCCCCCCCC(=O)c1c(Cl)c(CC)nn1C 2240986516 UMPWOPBVTFNYKH-UHFFFAOYSA-N 298.858 4.959 30 10 CJEE Cc1c(Br)sc(C(=O)C2=CCCCC2)c1C 2243079980 OOKMADLISGBEAO-UHFFFAOYSA-N 299.233 4.811 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(C)c(Br)c1 2250159063 NPERUQOBFSYTDE-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE C=CCCCCCCCCCS[C@H]1CC[C@H]1O 2252751717 JGRGDYMUTFQKGK-CABCVRRESA-N 256.455 4.550 30 10 CJEE Cc1scc(C(=O)CC=CC#CC(C)(C)C)c1C 2256702692 NBSBLCAUJDIQOP-UHFFFAOYSA-N 260.402 4.543 30 10 CJEE C=CCCCCCCCSCC1CC(NCC)C1 2259051638 OWAYCMBBBYORMP-UHFFFAOYSA-N 269.498 4.634 30 10 CJEE C=C(F)C[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2261435459 MGYWHAAJYBDHDD-KBPBESRZSA-N 255.421 4.690 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C)ncc1C#N 2263779549 IEALSHRIOAEFNN-CYBMUJFWSA-N 262.422 4.570 30 10 CJEE C=CCCC[C@H](NCCC)C1(C)CC(C(F)(F)F)C1 2264514307 TXRXUWBPKPBORH-MOKVOYLWSA-N 277.374 4.690 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CC[C@H](C(F)(F)F)C1 2264982622 ABUVBAPNQWFZOO-IHRRRGAJSA-N 277.374 4.819 30 10 CJEE CCCCCCCCC[C@H](O)c1c(C)cccc1N 2268231331 GTRJKXZPLDXJRO-INIZCTEOSA-N 263.425 4.751 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cc2sccc2s1 2268821557 DUGNELDCWPOFTN-GFCCVEGCSA-N 290.453 4.992 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(F)CC2(CCC2)C1 2271781222 NHAIUBFCMPFKNN-OAHLLOKOSA-N 267.432 4.773 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(Cl)c(OC)c1 2271796907 DSKXBMCRZBBMEU-INIZCTEOSA-N 281.827 4.659 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1cc(C(F)F)cs1 2273899646 JQKUJZKMCUQMQF-ZDUSSCGKSA-N 283.387 4.530 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC(CC)CC 2273981502 CDWHHDBUVJGRBD-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(C)CCCC1 2274074002 QUJQXBJCGVVULH-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C[C@@H](C)C(C)(C)C 2274119283 BVEAQPGQCOCGOC-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1sc(C)c(C)c1C 2274122270 QEBLHXYNUAENOZ-MRXNPFEDSA-N 275.461 4.518 30 10 CJEE CCC[C@@H]1CCC[C@](N)(CC#CC2CCCC2)CC1 2274165701 AATDMJGTKXBZKV-AEFFLSMTSA-N 261.453 4.648 30 10 CJEE CCCCCCC[C@H](CCCCC(F)F)OCCN 2276078442 FMIOSXVTNLTFMZ-CQSZACIVSA-N 279.415 4.516 30 10 CJEE C=CCCCCCCCCC(CC)(CC)OCCN 2276712809 IHLOEINECZTWFP-UHFFFAOYSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC1(C)C)OCCN 2276741767 ZBYDFCFDJKIERE-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE COc1cc(C)c(Cl)cc1C(=O)C1=CC[C@H](C)CC1 2277994132 ZCBHKWBUFYKGOH-JTQLQIEISA-N 278.779 4.586 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CCO)C(C)C 2278239937 XSVHMFFOJGUPLL-DLBZAZTESA-N 271.489 4.512 30 10 CJEE C=C[C@H](C1CCC1)n1c(S)nc2c(C)c(F)c(C)cc21 2279143777 GWZGBLOFQZULLH-GFCCVEGCSA-N 290.407 4.608 30 10 CJEE SCCCCCCCCCN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 2279674287 MBUMAVKEDXVKIW-USTZCAOPSA-N 295.536 4.625 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCC(C)(C)OC)C1 2280301356 APPLJDBVUSLOQD-KFWWJZLASA-N 297.508 4.889 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)c1csc(C2CC2)c1 2283070311 WEUUXHOKEXIFLH-NVXWUHKLSA-N 295.492 4.737 30 10 CJEE C=CCCC(C)(C)CNCCCCCCCCCCO 2286806196 PHUNAXZDXHQCHL-UHFFFAOYSA-N 283.500 4.682 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@H]2N 2287077256 LKSQGSLLECSLKX-OAHLLOKOSA-N 290.476 4.646 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@]1(CC)CCCCO1 2287372088 ISXONNPBOLZDCU-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN(C[C@H](C)O)C1CCC1 2287950245 RXVASLWMVBSZHL-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE CC[C@@](N)(CC#CC1CCCC1)C1CCC(F)(F)CC1 2289904614 MAFYFEDTHSHCCT-MRXNPFEDSA-N 283.406 4.503 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](O)(CC#CC2CCCC2)CC1 2289923728 CMHKFQBPCMDCJC-PKOBYXMFSA-N 276.464 4.928 30 10 CJEE CCCCCCCCC[C@](C)(OCC(=O)O)C(C)(F)F 2290580622 UQXMWEIPAUNVIG-AWEZNQCLSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@H](CCCC(F)F)OCCC(=O)O 2291251201 DYJODUBESVYBTC-CYBMUJFWSA-N 294.382 4.642 30 10 CJEE C=CCC[C@H](C)C1(OCCN)CCCCCCCCC1 2293132949 DDRLWGPHBMVMBW-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@@H]1CCCC[C@@H]1CC 2293575405 XMYBHCMZZRPDPA-KSZLIROESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C=CCCC1(C)C 2293686389 XFNZAULZYRTAOI-GOSISDBHSA-N 281.484 4.827 30 10 CJEE N#C[C@]1(C2C3CC4CC(C3)CC2C4)CCCCC12CC2 2294865646 QIDQELBOVDFGQD-PWKXAEOISA-N 269.432 4.923 30 10 CJEE CCC[C@@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)CC1 2295237696 RGPQTTIFDBWYPX-QAPCUYQASA-N 290.834 4.803 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@H]2CC[C@H]1O2 2295681312 FZWMTHXARLQYCE-XLAORIBOSA-N 281.484 4.815 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCCC[C@@H]1O 2295690708 FFTGIMMISQKBGL-BZSNNMDCSA-N 283.500 4.799 30 10 CJEE CC(C)Oc1ccccc1C=C1CCc2ccccc2C1=O 2297334115 DMUFMADZIHRGBW-UHFFFAOYSA-N 292.378 4.686 30 10 CJEE Cc1c(C[C@@]2(C#N)CCCS2)ccc(Cl)c1Cl 2301012841 JXVFGUPDUHPOLW-CYBMUJFWSA-N 286.227 4.634 30 10 CJEE C=CCC(CC=C)c1cc(C)c(Cl)cc1OC 2301042695 WZHWOFJTJDGFJE-UHFFFAOYSA-N 250.769 4.893 30 10 CJEE C=CCC(CC=C)C[C@H](N)c1ccccc1Br 2301063458 TWWFFDNOGIKVRT-HNNXBMFYSA-N 294.236 4.607 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2301202404 UWNJRPSILISDMP-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=C([C@@H](O)c1cc(F)c(Cl)cc1Cl)[Si](C)(C)C 2306208449 RMXUJCUMTJXSIZ-GFCCVEGCSA-N 293.241 4.600 30 10 CJEE CCCCCCCCN(C)[C@H]1CCC[C@@H]2CC[C@H]12 2311206388 ZWGBPSXPAKUAAE-IKGGRYGDSA-N 251.458 4.857 30 10 CJEE COc1cc(C(=O)C2=CCC(C)(C)CC2)sc1Cl 2317955150 KQJGWEBFTZOXIC-UHFFFAOYSA-N 284.808 4.729 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(F)c(C)cc1Cl 2321097028 XOTKRACCHHVIIS-ZUZCIYMTSA-N 269.791 4.650 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCCCCC1CC1)NCC 2321148450 PDAFGYZHZCEHPU-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@]23CCC[C@@H]2CC3)CCC1 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2277377039 ISTDVRVOLGNDBQ-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCC[C@H](CC)C[S@](=N)(=O)[C@H](C)CC(C)(C)C#N 2278253799 UOEJKMPMVZERRS-TYILLQQXSA-N 286.485 4.578 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C#N)CCOC23CCCC3)C1 2279798871 IVRBZAKSIKFXTB-ZACQAIPSSA-N 275.436 4.836 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1ccc(CCC)cc1)NCCC 2283544160 FYCFQDMKFHTUPM-LPHOPBHVSA-N 273.464 4.762 30 10 CJEE CC(C)c1ccccc1CNCC=CC#CC(C)(C)C 2284110509 RDVBAGCJNCYHRA-UHFFFAOYSA-N 269.432 4.505 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1C=CC(=O)O 2287470503 QYDXOKFPCDFJME-UHFFFAOYSA-N 294.778 4.563 30 10 CJEE CCSc1cccc(OC[C@H]2CC[C@H](C)CC2)c1C#N 2287573937 IXPLYONAAZZASH-HDJSIYSDSA-N 289.444 4.875 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1 2289693538 ODEVTWLGDKLJLV-GBESFXJTSA-N 273.464 4.504 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CCCC1(C)C 2289873278 BULUIVLBJHTNBM-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE C#CC[C@@H](C[C@@H](CCC1CC(C)C1)NCCC)C1CC1 2290381137 IMMVPBZFRBPGDT-YVZJPGBNSA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@](CC)(CC1CC1)OCC(=O)O 2290621554 PXQYJZMKZXYDOW-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=C(C)CC[C@](C)(CCCCCCCC)OCC(=O)O 2291429945 XCQWJDLIOVKZGK-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@](C)(CCCCCC)OCCC(=O)O 2291464210 GJUBDVSMZFGZRS-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC12CCCCC2 2292780280 WFPBIFLQRKIPME-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C1CCC(C[C@](CC)(C[C@H](C)CC)OCCN)CC1 2292912222 LPCWZTDMKZWXDS-QAPCUYQASA-N 281.484 4.683 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)CC[C@H]2C[C@@H]21 2293527362 JFGDPSFZYGMUPB-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CC2CCC1CC2 2293702607 KNVAVWQERKYGDH-FOIPXRHGSA-N 281.484 4.517 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1ccc(C)cc1Cl 2293889091 BBPKKEHAMPETOJ-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1sc(C)cc1C 2294047108 FCZNDYOQTUJSQB-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1C[C@@H]2C[C@@H]2C1 2294328511 UEFFUHRKCCSOKG-MHORFTMASA-N 281.484 4.517 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H](C)C2CCCCC2)c1 2295158799 HCSHDIDMLXOKDR-HNNXBMFYSA-N 265.400 4.839 30 10 CJEE C=CCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2306238506 SGCSMMCINMUUOG-ZDUSSCGKSA-N 276.182 4.749 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@@H]1CCC[C@H]1C(F)F 2313067927 UDEWBGXXNWIUHA-ZOWXZIJZSA-N 255.352 4.778 30 10 CJEE CSC1CC(CC2(C=O)CCC(C(C)C)CC2)C1 2314260733 JYSNIYNQWZLOLF-UHFFFAOYSA-N 268.466 4.550 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@](C)(CC)C(F)F 2314994713 KXURCWNALRFBAJ-HIFRSBDPSA-N 261.400 4.782 30 10 CJEE C=CCCCC[C@H](NCCC)[C@](C)(CC)C(F)F 2315006354 VJMMMVVDXGCBNR-ZFWWWQNUSA-N 261.400 4.782 30 10 CJEE C=CCC(CC=C)[C@@H](CC[C@@H](C)CCCC)NC 2316740161 YXEUCVCIUGKMII-DOTOQJQBSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)c(C(F)F)c1 2317018988 ROCZKUGEWDJYDL-UHFFFAOYSA-N 269.360 4.819 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2318361745 CNLGJJWSACLFSS-XPTSAGLGSA-N 290.209 4.995 30 10 CJEE Clc1cc(Cl)cc(CCCC[C@@H]2CC[C@H]3O[C@H]23)c1 2318609639 HUAREKAJYINYHG-KCPJHIHWSA-N 285.214 4.884 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CC[C@@H]1C(C)(C)C 2320246138 GXFLAJPCQZOUDC-GJZGRUSLSA-N 251.458 4.641 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1c(F)ccc(F)c1Cl 2321100675 DKNNSMRNHPVZEG-KGLIPLIRSA-N 273.754 4.610 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CC[C@H]1C(F)(F)F 2321174895 QARIKFPHDACRFB-WZRBSPASSA-N 262.315 4.527 30 10 CJEE CCCC(C)(C)CNc1ccc(C#N)c(SC)c1 2328525644 LLRKLVAHRROTOM-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE CC(=CC[C@@]1(C#N)CCOC1(C)C)CCCC(C)C 2338441789 CWGWPLWUTVHBFE-KRWDZBQOSA-N 263.425 4.858 30 10 CJEE C=CCC(CC=C)C1(CNC2CC2)CCCCCC1 2338727348 KDWJAHICGKKGGJ-UHFFFAOYSA-N 261.453 4.847 30 10 CJEE C=C[C@](N)(CC(C)(C)Cc1ccccc1)C(C)(C)C 2339397198 QEOMTLDQTZDWJV-SFHVURJKSA-N 259.437 4.575 30 10 CJEE CN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2339570796 ZMVPIBFVOPKCNN-IAQYHMDHSA-N 296.241 4.612 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[C@H]1C(C)(C)C 2343372074 QXUYUDPIOIFGFF-TWMKSMIVSA-N 263.469 4.783 30 10 CJEE C=CC1(NCc2cccc(C3CCC3)c2)CCCC1 2343714686 YVNNWHNZJJSSGL-UHFFFAOYSA-N 255.405 4.543 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2344376214 FVPPNPXOAOKBSZ-COMQUAJESA-N 270.363 4.619 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCCC(F)(F)C(F)(F)F 2344379322 IPISXOPDJBZQDS-MNOVXSKESA-N 287.316 4.674 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(C2(C)CC2)c1 2344418956 DVWOOSJGMRKFHR-QGZVFWFLSA-N 256.389 4.913 30 10 CJEE CC[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@@](C)(CS)C(C)(C)C 2352320452 XSWDSXUVRBKFOO-MPTYRVRUSA-N 283.525 4.622 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@]2(C)OC 2356189116 AGFQIFQIGNPMQG-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCCC#CC[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137024 AAHGPYXTXVLHRU-VJANTYMQSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](C)N1CC(C)(C)C[C@@H](N)[C@@H]1C 2358946066 RKCACUNRBRQHIW-IXDOHACOSA-N 282.516 4.573 30 10 CJEE C=CCC(CC=C)Sc1nc(C)nc(NCCC)c1C 2360199192 UKYZXEBPYCHQQA-UHFFFAOYSA-N 291.464 4.528 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)cc1CNC(C)C 2360378361 MWWBEJPCUULXSM-UHFFFAOYSA-N 293.451 4.937 30 10 CJEE C#Cc1cccc(N[C@@H](CC(C)C)c2ccccc2)c1 21010551 AZBGWRBBNLAQMJ-IBGZPJMESA-N 263.384 4.867 30 10 CJEE C=C(CCCC)[C@H]1CCCCN1C(=O)OC(C)(C)C 39172691 YDGSXCHRWNMFLJ-CQSZACIVSA-N 267.413 4.522 30 10 CJEE N#CC[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 39436442 FJVSFTKNJLDDLL-CHNSHAQVSA-N 265.400 4.900 30 10 CJEE N#C[C@H](C(=O)c1csc2ccccc12)c1cccc(F)c1 42891353 SSHXZZVYERCNKI-AWEZNQCLSA-N 295.338 4.530 30 10 CJEE Cc1ccc(C)c(OCC[C@H](C#N)c2ccc(F)cc2)c1 57685720 MDTMFEJOPJLAQM-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccc(CC)cc1 59083614 UNKKWSJABIOIEU-GOSISDBHSA-N 277.452 4.626 30 10 CJEE CCCCCCCCOCc1ccc(C#N)cc1F 59087834 VPPJWTBWIUDYRG-UHFFFAOYSA-N 263.356 4.574 30 10 CJEE CCCCCCCCOc1cccc(CNC(C)C)c1 59178833 LFZAUORAXVOATE-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE N#Cc1cc(Oc2cccc(Cl)c2)nc2ccccc12 68796575 SAUQRMYWUMVYRE-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC1(C)CCC(C#N)(Nc2ccccc2Cl)CC1 79656309 PGDCAGSPUGDVQX-UHFFFAOYSA-N 262.784 4.614 30 10 CJEE Cc1ccccc1CSC[C@H](C#N)c1ccccc1 80800933 AQLRIPMGRQWKQZ-KRWDZBQOSA-N 267.397 4.536 30 10 CJEE CCCOc1cc(C)c(C(=O)/C=C/c2ccco2)c(C)c1 83193648 YVMUVJNWYJJMMX-BQYQJAHWSA-N 284.355 4.581 30 10 CJEE CCCn1c(-c2ccc(Cl)cc2)nc2cc(C#N)ccc21 86636003 VCSZPXZKFDVFPV-UHFFFAOYSA-N 295.773 4.638 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)CCCCCCS 94579697 XFLDMDIOSPKREH-CYBMUJFWSA-N 285.884 4.823 30 10 CJEE CCCC(CS)(CCC)CN(C)c1cccc(C)c1 94580449 QDVPGAJAPVVCMF-UHFFFAOYSA-N 279.493 4.948 30 10 CJEE CC(C)CC1(CNc2ccc(F)cc2C#N)CCCC1 94877920 YHLGEOAFPHJDSV-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE C=C(CC)COc1ccc(Cl)cc1[C@@H](C)NCCC 97191369 XEJWFNRUBFEPQV-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)c2ccccc2n1 97816719 POSHOQORWHABFV-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCCCCCNCc1ccccc1OC 105837887 QTXJNUSOULKFOD-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCCC)c(C)c1C 107643741 NCJKEIMGKBOMBX-AWEZNQCLSA-N 258.405 4.684 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccccc1 107841284 IIOOCCVHFJVWSR-MRXNPFEDSA-N 257.377 4.613 30 10 CJEE CCCCCCC[C@@H](N)Cc1cccc(Cl)c1 109718426 KWWOCFLETQTWIM-OAHLLOKOSA-N 253.817 4.570 30 10 CJEE CCCCCCCO[C@H](C(C)C)[C@H](O)c1ccccc1 110022345 WIIXWDNZIGEFKN-QZTJIDSGSA-N 278.436 4.732 30 10 CJEE CCCCCCCCOC[C@H](O)c1ccc(C)c(C)c1 110023358 AOFSZBINDCFPKN-SFHVURJKSA-N 278.436 4.714 30 10 CJEE CCCCCCCCCCCCN1[C@H]2CC[C@@H]1CC(N)C2 111235614 TVKZBTCBRHBRJC-YQQQUEKLSA-N 294.527 4.861 30 10 CJEE CCCCCCC[C@H](O)Cc1cc(Cl)ccc1OC 114875656 SHXQEWOLSCSHDM-HNNXBMFYSA-N 284.827 4.613 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@@H](CN)CCC 118640305 IAMCIDUCRCMHOA-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CCCCCCCCCC[C@@](O)(COC)C(C)C 127022422 SMTUXZVTHNTREJ-MRXNPFEDSA-N 258.446 4.551 30 10 CJEE C#CC[C@H](CC)N[C@H]1CCCC[C@@H]1C1CCCCC1 129711995 NCUWEBSBEQFQNH-KSZLIROESA-N 261.453 4.517 30 10 CJEE C[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccc(C#N)s1 134684600 YCUAHKIKVCWFEG-NEPJUHHUSA-N 296.395 4.778 30 10 CJEE CCCCCCC[C@H](Cc1cccc(F)c1F)NCC 148708133 FMRWISORQBZQEQ-OAHLLOKOSA-N 283.406 4.846 30 10 CJEE CCCCCCCCCCOc1ccc(C(=O)O)s1 149453109 WKZYSLFAUYGYMI-UHFFFAOYSA-N 284.421 4.966 30 10 CJEE COc1ccc(C#N)c(Nc2ccc(Cl)cc2Cl)c1 149898080 FDTNNFLHEXCCDV-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE COc1ccc(OCCC2(C#N)CCCCCCC2)cc1 156750032 DZCMVOPFQVCRKJ-UHFFFAOYSA-N 287.403 4.718 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1C)c1cccc(F)c1 166567811 WCFFMLSSNMXIFP-INIZCTEOSA-N 268.335 4.569 30 10 CJEE C=CCC(C)(C)CN[C@H](C)C12CC3CC(CC(C3)C1)C2 167613640 HDKSLNFJGOVVEI-DGTBMVLOSA-N 275.480 4.783 30 10 CJEE C[C@H]1C[C@@H](C)CN(CC2(CS)CCCCCC2)[C@H]1C 168169293 MIQWKSVOOATUEU-PMPSAXMXSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCCCNC[C@@H](O)CC(C)C 226105807 PJAPYXZNHBSZIE-SFHVURJKSA-N 285.516 4.904 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCS[C@@H]1CCC[C@@H](C)C1 226532729 SDYOXPLEEPQKLF-BRWVUGGUSA-N 296.524 4.749 30 10 CJEE CCCCCCCCCCNC[C@H]1C[C@H]2C=C[C@@H]1C2 228343064 NSUFUPTZOYDJGO-RCCFBDPRSA-N 263.469 4.929 30 10 CJEE C=CCC[C@@H](C)Nc1c(Cl)cc(C)c2ncccc12 228818746 GVMNHOHFOWIPNV-GFCCVEGCSA-N 274.795 4.963 30 10 CJEE C=C(CC)C[C@H](NCCC)C1C2CC3CC(C2)CC1C3 229755521 GDCHNTQGGBLEPS-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cc(F)ccc1Cl 231820398 XTUZPQIVOSTRJY-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCC(=O)c1cnc(C)s1 232912128 KMCORLFPQDSHOW-UHFFFAOYSA-N 253.411 4.775 30 10 CJEE N#Cc1ccc(F)cc1CNc1c(Cl)cccc1Cl 236189197 OFNPYCOSMHTIPN-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C1[C@@H](c2ccccc2)OC(=O)N1c1cccc(Cl)c1 247954776 LQZWUFHFYLYREE-HNNXBMFYSA-N 285.730 4.552 30 10 CJEE COc1c(C(F)F)cc(C)cc1C1(C#N)CCCCC1 260419292 IJSSWAPFXDLLGN-UHFFFAOYSA-N 279.330 4.667 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1CC 281317259 XYPLQAVBABICBA-UHFFFAOYSA-N 297.398 4.946 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCC[C@H](C(F)(F)F)C1 300256141 FALQGFWHFNOIBH-RDBSUJKOSA-N 278.358 4.853 30 10 CJEE CCCCCCCCCCNCCOC(C)(C)CC 308730567 JEQKOSYNVAUYCX-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE C[C@H]1CCC[C@](C=O)(CC2CCC(C)(C)CC2)C1 316784488 NCDXNYJJCMTRDM-WMLDXEAASA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCC(F)(F)C2)C1 317349408 SUZDZFWMPLZLIH-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE C[C@@H](C[C@]1(C=O)CCc2ccccc21)C1CCCCC1 317426036 OUNNEASXHQJFSU-KXBFYZLASA-N 270.416 4.676 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317787501 YJYJAZLKPKBOPR-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE O=C(C=C1CCCCC1)CC/C=C/c1ccccc1 324115510 HCXCQDSRDQFFGL-YRNVUSSQSA-N 254.373 4.940 30 10 CJEE C#C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccccc1 378698606 HOYGBMQPSZKKFC-CQSZACIVSA-N 276.166 4.780 30 10 CJEE CC[C@H](/N=C1/N[C@H](C2CCCCC2)CS1)C1CCCC1 382869305 PDXKDADIOKAXCC-HOTGVXAUSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CCCC(F)(F)C1 384888584 SSJMTQBRDZUMJI-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE N#CCCCCCNc1ccccc1-c1ccccc1 385203578 HROFZQHVZNSZJK-UHFFFAOYSA-N 264.372 4.849 30 10 CJEE CC(C)c1cccc(N=C2N[C@@H](C3CCCC3)CS2)c1 386298248 VANMDNWTQJWTCI-MRXNPFEDSA-N 288.460 4.693 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@@H](CNCC)O1 389075753 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UZENEMWXOPHBFA-INIZCTEOSA-N 262.441 4.525 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)C[C@@H](C)CC 698894557 ZDLMYFJLPIWGBZ-WMLDXEAASA-N 294.439 4.518 30 10 CJEE CCC(CC)(CS)CN1C[C@@]2(C)CC[C@@H](C2)C1(C)C 699359050 QUWYWUCBMZLLBL-HOCLYGCPSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCNCCC1(F)CCC1 702440071 OACCNNDLMIWXHZ-UHFFFAOYSA-N 257.437 4.999 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CCC(C)C)C1CC1 703949256 UNKVVKBFCHJRRJ-INIZCTEOSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(C)cc1C 703955940 WBTCFEOPUYMPJR-MRXNPFEDSA-N 259.437 4.946 30 10 CJEE CCCCCCCCCC(=O)CC1CC(OC)C1 704192362 IKYSTGBNRKWMLB-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@H]2C=C[C@H]1C2 710734047 BQKVOEKNONLOSQ-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)Oc1ccc(Cl)cc1CNC(C)(C)C 714968894 DBXGAJUMBAXFNZ-LBPRGKRZSA-N 281.827 4.572 30 10 CJEE CCCCCCCCCCNC[C@H](C)[C@@H]1CCCO1 720559413 ZMDIUMVGWVVFDI-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C1CCC(CSc2c(N)cccc2Cl)CC1 724556881 PZDCHKISPWDUNM-UHFFFAOYSA-N 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C=C[C@@H](CCCCC)Oc1ccc(C(F)(F)F)cc1N 2239494606 FWNMCCZNLIQSHI-LBPRGKRZSA-N 287.325 4.801 30 10 CJEE CCCCCCCC[C@@H](N)C#Cc1ccc(CC)cc1 2239735173 NJYDPMPANPAYKK-LJQANCHMSA-N 271.448 4.678 30 10 CJEE CC=C(C)[C@H](NCCC)[C@](C)(O)CCCCCCCC 2240653837 LCORKDGWPKPTBH-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]1(O)CCCC[C@H]1C 2240665267 BFUBSQPPNQDMLK-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CN[C@H](C#CC1CCCC1)c1cc(Cl)sc1Cl 2251459713 OHVACPQVEFDQKI-LLVKDONJSA-N 288.243 4.509 30 10 CJEE C=C(C)CCCC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 2259205611 HQTSDGQBCOUQSF-CHWSQXEVSA-N 264.331 4.607 30 10 CJEE C=C(C)CCCC[C@@H](N)CSc1ccccc1C 2259238393 SOVPNTRVWWIKED-OAHLLOKOSA-N 263.450 4.551 30 10 CJEE C=C[C@@H](C)CCN[C@H]1CCCCCCCC1(F)F 2260229117 LRCTWZBUWASGDG-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NCC#CC1CCCC1 2261100140 PTOILVGYMGJGRM-UHFFFAOYSA-N 282.214 4.907 30 10 CJEE C=CCC[C@@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2261428507 QYHLEMGMGIJANB-CABCVRRESA-N 251.458 4.783 30 10 CJEE COc1cc(Cl)c(C(=O)CC#CC(C)(C)C)cc1Cl 2266848222 FKANYRDQXMAETL-UHFFFAOYSA-N 299.197 4.624 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@@H]1CCCC(C)(C)C1 2268743516 UJVGPZWKFVPAQL-HZPDHXFCSA-N 261.453 4.526 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](CC)C(C)C 2268759195 NPEXRKAVTXDEOA-IRXDYDNUSA-N 263.469 4.643 30 10 CJEE CCCCCCC[C@@H](O)CCCCCCCCCN 2269395869 UJXWWGNAITWZCL-QGZVFWFLSA-N 271.489 4.787 30 10 CJEE C=C(C)CCCCNC[C@H]1CCC[C@H](C(F)(F)F)C1 2271785420 MSEHWTKVSXIXGC-KBPBESRZSA-N 277.374 4.691 30 10 CJEE CSCC1(C[C@@]2(C=O)CCCC[C@@H]2C)CC(F)(F)C1 2273940729 PRXAETVODQWMPD-GXTWGEPZSA-N 290.419 4.550 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cccc(Cl)c1 2273987943 DPQIKDZRPOQGGJ-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1ccsc1C 2274957386 LLKSBLSKCHTDGF-CQSZACIVSA-N 284.421 4.559 30 10 CJEE CCCCCCC[C@H](CCC1CCC1)OCCCN 2277038507 VMKXWCWIIJEXGZ-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCCCC[C@@](C)(CCC(C)(C)C)OCCCN 2277270576 KIXBABZOEAGFMD-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccccc1O 2278175452 HEOLSNJPVHRZCF-KRWDZBQOSA-N 263.425 4.707 30 10 CJEE C=CCO[C@H](C)CN[C@@H](C)CCCCCCCCC 2278233738 IYEZMSWBYBJELR-DLBZAZTESA-N 269.473 4.696 30 10 CJEE CCCNC[C@@]1(CC=CC#CC(C)(C)C)CC[C@@H](C)C1 2284082168 SCCAXAPVUWKGGZ-MJGOQNOKSA-N 275.480 4.788 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1C[C@@H]1CCC 2284108139 SGBJSTSKLSKJIO-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE C=CCCCCCCCCCN(C)[C@H](C)CCN(C)C 2288816649 TXWITAFODXZQKP-GOSISDBHSA-N 282.516 4.565 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@]12CCCC[C@H]1CC2 2289044650 KBHASOAKPWWIND-FUHWJXTLSA-N 276.468 4.609 30 10 CJEE CC[C@@](O)(C#CC1CCCCC1)C1CCC(F)(F)CC1 2289772348 HQIYQPRJZWSWMO-MRXNPFEDSA-N 284.390 4.537 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H](C)CC1 2289855487 SNMMNWAUCLOAQR-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](CC=C(C)C)OCC(=O)O 2291162894 YTNVKCBZCUPPSY-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE C=CCC[C@](C)(CCCCCCC1CC1)OCC(=O)O 2291312514 UAJYVZNUWMXMAA-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)C(CC)(CC)CC 2291471793 BJUQLBQYNYBSAQ-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@H](CCC(C)C)OCC(=O)O 2291809275 PQJUGQROAJCHRG-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE C=C1CCC(CC(OCCCN)(C(C)C)C(C)C)CC1 2292909216 NBJCGFZQWOZKBE-UHFFFAOYSA-N 281.484 4.539 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)[C@@H](CC)CCC)CC1 2292909863 SDFVKHNZQZIWSP-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@](CC)(OCCCN)c1ccc(Cl)cc1 2293048271 DKCYBABPSATGSK-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1CCC[C@@H]1C 2293173616 ZUSREGCCQYCMKL-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@]12CCC[C@@H]1C2 2293413639 NEWINULUWLLUTC-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CC[C@@H](C)C1(OCCCN)CC(C)(C)CC(C)(C)C1 2293516854 QZWITNHWBPDLQB-OAHLLOKOSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCC[C@H](CC)C1 2293678533 KHGLDRNPNAOTGJ-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@H]2C[C@H]21)OCCN 2293974107 IBEIAXKSGGQKLT-WNRNVDISSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCC[C@@H](CC)C1 2294047670 JUZRPGFGCJZNNU-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCCN)c1cccc(Cl)c1F 2294418977 GUNIPZOQOSDALE-HNNXBMFYSA-N 299.817 4.632 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCC[C@@H](C(C)C)C1 2294419282 JJIIAKNJUHQPHN-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCOc1c(C#N)cc(Br)cc1C(C)C 2295344380 QRAJEHZAESIMEP-UHFFFAOYSA-N 296.208 4.623 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C(CC)CC 2295521932 HVCCWHDRAHYZPX-GOSISDBHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1CC[C@H](C)C1 2295597659 YEZXGPOQEHOHQK-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NC)C1=CCCC1 2295688253 CSURRXSFXYJFCL-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](C(C)C)N(C)C 2295691550 NDKLWUNJLULXJK-QZTJIDSGSA-N 284.532 4.691 30 10 CJEE CCCC[C@H](CC)C[S@@](=O)[C@H](CC#N)c1ccccc1 2295711586 PMNMMQVKUYPTIK-XAUMDUMWSA-N 291.460 4.606 30 10 CJEE CC(C)c1ccc(C(=O)C=CNc2ccccc2F)cc1 2296876091 VRWCEHZWRCBKOZ-UHFFFAOYSA-N 283.346 4.758 30 10 CJEE C=C(C)CC=C(COC[C@H]1CO1)[Si](C)(CCC)CCC 2297532528 RPGRKDWOFMFPCA-INIZCTEOSA-N 296.527 4.732 30 10 CJEE CSC1CC(CC2(C#N)CCC(C)(C)CC2)C1 2299352607 BZGIMPMQZDYROY-UHFFFAOYSA-N 251.439 4.628 30 10 CJEE CC[C@@](C)(COCCCCCCCS)C(F)F 2299752572 QMZNBAKJFIIFPS-ZDUSSCGKSA-N 268.413 4.565 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1C[C@H]1CC(C)C 2312410498 YIGDJQTYCUCCJJ-BRWVUGGUSA-N 251.458 4.913 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@@H]2CC[C@H]1C2 2312896523 QXIDKDWVOUEMKM-QZWWFDLISA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)[C@@H](N)Cc1c(Cl)cccc1Cl 2316740234 ZOYPUYDETIQNCU-HNNXBMFYSA-N 284.230 4.632 30 10 CJEE CC(CCc1ccccc1)=NOCc1ccccc1Cl 2318775496 WBKXFDISTIPMSC-UHFFFAOYSA-N 287.790 4.865 30 10 CJEE C=C(C)CCC(=O)C1CCC(CC(F)(F)F)CC1 2328344675 JZJVXWRDKVOZPD-UHFFFAOYSA-N 262.315 4.671 30 10 CJEE CSc1cc(SCC2=CCCCC2)ccc1C#N 2328529839 KUOUOYXGWVEGBQ-UHFFFAOYSA-N 275.442 4.873 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C(CC1CC1)CC1CC1 2335221411 JUWBXACEVGPKQF-SFHVURJKSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC2CCC2)cc1C 2335247801 INNRYUJMWNFZEN-AWEZNQCLSA-N 275.461 4.694 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 2337078571 CQDISADVKWJWAP-UJHHCITNSA-N 261.453 4.536 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1csc2ccccc12 2338741505 OAPXAIJASOURMH-QGZVFWFLSA-N 271.429 4.930 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2ccc(F)cc2C2CC2)C1 2339215614 WWWBMNMXFPMEGL-YVEFUNNKSA-N 257.352 4.576 30 10 CJEE C[C@H](CC(=O)CCCCC(F)(F)C(F)(F)F)C(F)F 2342294369 UZDMRELKPNIZMY-SSDOTTSWSA-N 296.226 4.605 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C)c(CC)c1 2344396783 PGXUYTNMSYKEJF-YJBOKZPZSA-N 259.437 4.810 30 10 CJEE C=C(CC)C[C@H](NC)C1CCC(CC(F)(F)F)CC1 2353631609 BPXITESINODQRO-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H](OC)[C@@H]2C1 2357044293 NNRGBVYRALOCMA-XWTMOSNGSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](O)[C@@H]1C[C@H]1CC 2357641296 CXINNSIROKBONO-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Sc1cccc(OC)c1[C@H](C)NC 2360368772 QEYXFZUGBANLLM-ZDUSSCGKSA-N 291.460 4.589 30 10 CJEE CCOc1ccc(CC)cc1C(=O)/C=C/c1ccccc1 5716518 MNIQIZXQCOKVQF-ZRDIBKRKSA-N 280.367 4.544 30 10 CJEE CCCOc1ccc([C@@H](C)Nc2ccccc2C#N)cc1 21019694 SJKYWXJOSLBQFC-CQSZACIVSA-N 280.371 4.520 30 10 CJEE c1ccc(CN=C2c3ccccc3-c3ccccc32)cc1 39243617 ABWWOKZUFHSUHV-UHFFFAOYSA-N 269.347 4.705 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cnc2ccccc2c1 55142474 VKYVIWOYORNNQO-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2cccc(F)c2)c(C)c1 57688918 WQPDQOSSOOQADE-KRWDZBQOSA-N 297.373 4.827 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2ccc(C)c(C)c2)c1 57695465 CAZQCJZJOSAYMS-GOSISDBHSA-N 293.410 4.997 30 10 CJEE CCCCCCCCCOc1cccc([C@H](C)N)c1 59088204 WDXHHSLSFAWHML-HNNXBMFYSA-N 263.425 4.836 30 10 CJEE CCCCCCCCOCC(=O)c1cccc(C)c1 59526239 LNLLPPMLHRBLMS-UHFFFAOYSA-N 262.393 4.555 30 10 CJEE CCCCCCCCOCC(=O)c1ccccc1OCC 59526338 HYXZLROTLCHATE-UHFFFAOYSA-N 292.419 4.645 30 10 CJEE N#C[C@H]1CCCCC[C@H]1c1ccccc1Br 62670612 ACTUECVMAVVEPY-VXGBXAGGSA-N 278.193 4.637 30 10 CJEE CCc1oc(-c2cc(Cl)ccc2Cl)cc1CC#N 77076568 MCPNNJUVMVPXCC-UHFFFAOYSA-N 280.154 4.882 30 10 CJEE N#C[C@H](CNc1cccc2ccccc12)c1ccccc1 80748368 YDXPWRNTYUYELO-QGZVFWFLSA-N 272.351 4.559 30 10 CJEE Cc1c(OC(C)C)ccc(C(=O)/C=C/c2ccco2)c1C 83193552 IAHIJFFPIJYADD-VQHVLOKHSA-N 284.355 4.580 30 10 CJEE CCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21 86636074 GWIUMLSKIVEYKM-UHFFFAOYSA-N 281.403 4.756 30 10 CJEE Cc1cc(OC[C@H](CS)c2ccccc2)ccc1Cl 94582253 MAOKNNHJDWWXAM-CQSZACIVSA-N 292.831 4.741 30 10 CJEE Cc1ccc(C(C)C)cc1OCCCCCCS 94585486 ZDRSRHTXROIARL-UHFFFAOYSA-N 266.450 4.987 30 10 CJEE COc1ccc(/C=C/C(=O)c2cc(C)ccc2SC)cc1 96887614 OTNGOJMYKVTYBB-JXMROGBWSA-N 298.407 4.622 30 10 CJEE COc1ccc(OCCCCCCCCCS)cc1 97799673 JGHMDPCCZDJQJQ-UHFFFAOYSA-N 282.449 4.735 30 10 CJEE CCCCCCCCCN1CCNc2ccccc21 102968963 GUNATZODNTVALH-UHFFFAOYSA-N 260.425 4.669 30 10 CJEE CCCCCCCCC[C@H](CSC)NCCC 103942308 BJDUWGFTCOAJLB-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccccc1OC 103944640 UTJXQTVLWABXQO-MRXNPFEDSA-N 263.425 4.836 30 10 CJEE CCCCCCCCNc1cc(Cl)ccc1C(=O)OC 109785932 JHJYVTUOCFPXBV-UHFFFAOYSA-N 297.826 4.899 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1O 110022485 GLTVCTAILPCBDW-FHWLQOOXSA-N 290.447 4.671 30 10 CJEE CCCCCCCC[C@@]1(CNC)C[C@H]2CC[C@@H]1C2 110195025 DZMODFNRPSAAIG-BBWFWOEESA-N 251.458 4.763 30 10 CJEE CCCCCCCCC1(CNCC(C)C)CCOCC1 110214624 RHGHTYNUJQYSBW-UHFFFAOYSA-N 283.500 4.779 30 10 CJEE N#Cc1ccc(Nc2ccccc2C(F)(F)F)cc1Cl 110251484 RKAPVOUXOPHGAX-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCCCSc1cc(C(=O)O)ccn1 111235909 DUFGPTAAHKNJEM-UHFFFAOYSA-N 281.421 4.623 30 10 CJEE CCCCCCC[C@@H](O)Cc1cccc(Br)c1 111817391 UCJGDHAPXPNAQD-OAHLLOKOSA-N 299.252 4.713 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccccc1F 126160792 WTQDHRRXSLIIDZ-QGZVFWFLSA-N 280.431 4.861 30 10 CJEE N#Cc1cc(F)ccc1N[C@@H]1CCCCc2ccccc21 126221366 GMTVNBVCDYQTAE-GOSISDBHSA-N 280.346 4.577 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(C#N)c(C)c2)cc1 126337324 RHQFJCLFVLYIEN-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](OC)C(C)C 127479721 GDCHYHOHDFDFKJ-JKSUJKDBSA-N 257.462 4.516 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)OC)NCC 134473345 BOLUDMGKOMGRFT-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccnc1C 135558888 BOLGHWBDNMUVHD-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CCCCCCCCNc1nc(C)c(C)nc1Cl 147275460 JPFYZIIGDNTDOV-UHFFFAOYSA-N 269.820 4.519 30 10 CJEE CCCCCCC[C@H](C)Nc1ccnc(Cl)c1 149125443 JIAMUWLXDBRGFQ-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1F 161106762 JKEHJQUQNXCQLT-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(F)c(C(F)(F)F)c1 163481699 REUFCUXUNNPWEF-CQSZACIVSA-N 294.251 4.521 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cc(C)ccc1C 185863484 GZNGWTXPIIEGEZ-WMZOPIPTSA-N 285.431 4.569 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC(C)C 212313442 SCGGOYHLQVZJLP-OKZBNKHCSA-N 265.485 4.887 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3cc(C)ccc3[nH]2)C1 227143320 SMDYBYMOVTUTDJ-WWGRRREGSA-N 299.443 4.682 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC[C@H](C)[C@@H](C)C1 227288719 HXQOQOORARKSRV-MELADBBJSA-N 258.471 4.564 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(CC(C)C)cc2)C1 227415383 VOUYONCTCRUCPL-MNEFBYGVSA-N 285.431 4.639 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCOC2(CCC2)C1 229823551 LNCGTAOVFNKADH-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(Cl)cc1C 233162184 GQROTDSOCOUPBT-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](NC)c1sccc1Cl 234464123 SMXHOYOWSMNPGF-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE C=C1c2ccccc2[C@]2(NC(=O)OC(C)(C)C)CCCC[C@H]12 238135665 XHFDNUDEONHSRQ-BEFAXECRSA-N 299.414 4.624 30 10 CJEE CCCCCCCCCCCCN1C[C@H](N)CC[C@H]1C 250822365 LUVONRQVRKFCMN-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CC(C)C[C@H](C)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251427919 REUUVKDPNPLFGX-LUKYLMHMSA-N 278.484 4.707 30 10 CJEE Cc1ccc(O)c(N=Cc2ccc(C(C)C)cc2)c1 252462298 RIDPRIBTVPYBSC-UHFFFAOYSA-N 253.345 4.575 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C)cc2C(C)=NO)C1 252464143 HOWFIYCMSNVSFW-CABCVRRESA-N 275.392 4.541 30 10 CJEE O=C(/C=C/C=C\c1ccccc1)/C=C/c1ccccc1 252477131 ISTXRHJZVWZATL-PFRXGMGXSA-N 260.336 4.539 30 10 CJEE C=CCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 252629091 TYJGUFSRTBJWNO-UHFFFAOYSA-N 297.314 4.965 30 10 CJEE N#CC[C@@H]1CCc2c(F)cccc2C12CCCCC2 260497418 HCQCRUUGKWFSQS-ZDUSSCGKSA-N 257.352 4.504 30 10 CJEE CCN(CC(C)(C)C)CC1(CS)CCCCCC1 311141234 LFODFEPQEBGICL-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCCCCCn1ccc(CNC)c1CC 312438018 SYCPBXLEGDYQAF-UHFFFAOYSA-N 278.484 4.911 30 10 CJEE C=CCN(c1cccc(Cl)c1[C@@H](C)NCC)C(C)(C)C 312574875 MSOOMTIDWZAZFK-CYBMUJFWSA-N 294.870 4.801 30 10 CJEE N#C[C@]1(CCCCc2ccccc2)C[C@H]2CC[C@H]1C2 381637760 DREFIGUCHHQLAQ-BZSNNMDCSA-N 253.389 4.729 30 10 CJEE C=C1CCN(c2cccc(Cl)c2[C@H](C)NCCC)CC1 382594572 JMDXKWHRYAVMAM-AWEZNQCLSA-N 292.854 4.557 30 10 CJEE CC(C)(C)C(C)(C)C/N=C1/N[C@@H](C2CCCCC2)CS1 386150034 SWCNQXANPFSASU-CQSZACIVSA-N 296.524 4.700 30 10 CJEE C=C(COC)[C@@H](CCCCCCCCC)NCCC 386524888 FSORUJXKJJOFBR-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CC[C@]1(C)CCSC(=Nc2cccc3ccsc23)N1 386646809 PKLONNJOELWIED-OAHLLOKOSA-N 290.457 4.784 30 10 CJEE CCCCCCCCCCCCN1C[C@H](O)C(C)(C)C1 387778059 HKWSWONNIPXRAI-KRWDZBQOSA-N 283.500 4.610 30 10 CJEE N#CC1([C@H]2CCOC3(CCCC3)C2)CCCCCC1 388786822 LRSIZPAOCPUUIB-HNNXBMFYSA-N 261.409 4.590 30 10 CJEE N#CC1CCC(CN[C@@H]2CCCC[C@H]2c2ccccc2)CC1 442872530 IDRSNEBENIJQAE-ZYKFHVCXSA-N 296.458 4.632 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)c1ccc2ncsc2c1 485713664 QOSBILBWIUCPTL-OCCSQVGLSA-N 274.433 4.692 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C\c1ccc[nH]1 492027278 BCOBXVCPCHTYLE-QXMHVHEDSA-N 294.398 4.519 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 509009243 ZJQZPAMOGBKDHO-CYBMUJFWSA-N 286.444 4.735 30 10 CJEE CC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1Cl 630063788 YSCVSCKNZYIIDY-LLVKDONJSA-N 298.773 4.587 30 10 CJEE C#CCCCCCC(=O)c1cc(Cl)sc1Cl 686696944 DPFNUXXBAOCIJT-UHFFFAOYSA-N 275.200 4.821 30 10 CJEE C#CCCCCC[C@@H](N)c1c(Cl)cccc1Cl 686697146 JLHRYUOIBGITKF-CYBMUJFWSA-N 270.203 4.577 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]12CCC[C@H]1OCC2 687388767 OMTKEQXOEWKXIP-KSZLIROESA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCCCN(C)C(C)(C)CCN 688344090 YMCWJYBKBBGRTD-UHFFFAOYSA-N 284.532 4.967 30 10 CJEE CCCCCCCCC[C@H](O)c1nccn1C(C)C 692933669 MHSNNNGVXWFIQU-HNNXBMFYSA-N 266.429 4.638 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)cc(F)c3F)C[C@@H](C1)C2 697335025 YXSAIIYYHWHKKC-QYJAPNMZSA-N 281.321 4.651 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)C 698450643 BBGOPLDOZQLPKC-WMLDXEAASA-N 296.455 4.740 30 10 CJEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698467493 ZHDRUNXIADUGLO-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE N#CC1(Sc2ccccc2Cl)CC(C2CC2)C1 701863341 QSMYZGBVFQWWOS-UHFFFAOYSA-N 263.793 4.514 30 10 CJEE CCN(c1ccc(C#N)c2ccccc12)[C@H](C)C(C)C 706508862 TWMLPURWEDDKSY-CQSZACIVSA-N 266.388 4.582 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@]12CCCC[C@H]1C2 709129173 MKYYMKBGSIBJRE-DFBDCSAJSA-N 261.453 4.680 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)[C@@H]1CCCCO1 711990767 BHFQSCNNFJCKIZ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 712544540 ONTZIKGYKNLDTD-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 715752674 KIENXUDHSFOMAY-QMTHXVAHSA-N 289.316 4.707 30 10 CJEE CCCCCCC[C@@H](C)n1cc(CNC(C)C)c(C)n1 716474782 LQOOBKRVAHMTEA-OAHLLOKOSA-N 279.472 4.611 30 10 CJEE CCC[C@@H]1CCS/C(=N/[C@H](C)c2ccc(Cl)cc2)N1 716797116 FMQSKBIENDXLKL-BXUZGUMPSA-N 296.867 4.652 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc(Cl)cc1C#N 717552091 DELBHJSSUAWYEB-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE C[C@H](OC[C@H](CS)c1ccccc1)C1CCCCC1 719743052 KEVDIQVDROCLIS-WMLDXEAASA-N 278.461 4.685 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCCC3(CC3)C2)cc1 723552813 DSXRKAUZVFDCOE-MRXNPFEDSA-N 268.404 4.622 30 10 CJEE C=C1CCC(C[C@@H](N)Cc2ccc(Cl)cc2Cl)CC1 724549873 QVSWAELJSBXTJZ-OAHLLOKOSA-N 298.257 5.000 30 10 CJEE CCCCO/N=C(/c1ccc(SCC)cc1)C1CC1 821234050 HTOSBNXQDWHOKS-WUKNDPDISA-N 277.433 4.729 30 10 CJEE C=CCOc1cccc(NC(=O)C2(C)CCCCCC2)c1 1125353235 NZXMPRFCDDOVNP-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C(C)CN(CC)Cc1cc2ccc(C)cc2nc1Cl 1138862847 RCCIZNSUTSAKEF-UHFFFAOYSA-N 288.822 4.595 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(OC(C)(C)C)cc2)C1 1177502363 XPCYXIPTBKGFQJ-NVXWUHKLSA-N 287.447 4.698 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(CC#N)cc1 1180708544 WUWFHMIQYAIJLH-OAHLLOKOSA-N 256.393 4.690 30 10 CJEE CC(C)(C)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 1190914561 UXBJPBFIPIREOM-UHFFFAOYSA-N 292.426 4.607 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCOC[C@@H]1C 1258231158 JCRAKJGVTNUGAQ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@]2(C)CC(C)C)CCCCC1 1273415727 TXAIEIJQPLXWOW-SFHVURJKSA-N 291.479 4.940 30 10 CJEE C=C(CC)CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 1307762520 XKEFPZSDRUPJSR-OAHLLOKOSA-N 297.364 4.851 30 10 CJEE C=CCC1(NCCSc2ccccc2)CCCCC1 1308002558 IIGMSEDCDATBFW-UHFFFAOYSA-N 275.461 4.647 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@@H](C)CC[C@H]2C)CCCC1 1308857174 JDTDRUXTVNVBJB-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C(=O)N(CCC(C)C)CCC(C)C)CC1 1357806711 YQCDMBRKSIRHCD-UHFFFAOYSA-N 279.468 4.654 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H]2CCC[C@H]2CCC)C(C)C)c1 1358267395 IMRIETCZDQZVFJ-IEBWSBKVSA-N 297.442 4.626 30 10 CJEE C=CCCC[C@H](NC(=O)c1ccsc1C)c1ccccc1 1438917561 FQIMOBDKRJAPLU-KRWDZBQOSA-N 299.439 4.884 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccccc1-c1nccs1 1440208188 LXRNVTYIHPWSGK-UHFFFAOYSA-N 298.411 4.517 30 10 CJEE C=CCC[C@H](NCc1csc(C)c1)c1ccccc1 1459848330 HQQYOBOWGRULOS-KRWDZBQOSA-N 271.429 4.854 30 10 CJEE C=C[C@H]1CCCCN1C[C@@H]1CC[C@@H](c2ccccc2)C1 1460044147 UGJORAGNMDRDCK-QRQLOZEOSA-N 269.432 4.611 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CC(c2ccccc2C)C1 1462429122 UFHXTZIEBRXVRV-NNZWXOEDSA-N 283.459 4.966 30 10 CJEE C=CCCC[C@H](C(=O)N(CC)CCC1CC1)c1ccccc1 1514528116 KHCDNUNOIAJWJR-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C=CCC(CC=C)C(=O)NCC1CCC(C(C)(C)C)CC1 1516326573 CWSSABTUKLCNON-UHFFFAOYSA-N 291.479 4.724 30 10 CJEE C=CCC1(C(=O)OCc2ccc(Cl)cc2)CCCC1 1522240054 XMSDZVYWSZIPNK-UHFFFAOYSA-N 278.779 4.520 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CCC)C(C)C 1523897231 XWIDCZUSHHVKRJ-INIZCTEOSA-N 273.420 4.816 30 10 CJEE C=CCCOCC(=O)OC1CCCCCCCCCCC1 1524140507 KCBRGGBZKSYTOO-UHFFFAOYSA-N 296.451 4.796 30 10 CJEE C=CC[C@@H](CC)NC(=O)C1(c2ccccc2)CCCCCC1 1524815749 XRHAYJAWYIQXPB-GOSISDBHSA-N 299.458 4.750 30 10 CJEE C=CCCC(=O)Oc1cccc(-c2c(C)cccc2C)c1 1527714320 OLZOHUREUHSTKY-UHFFFAOYSA-N 280.367 4.842 30 10 CJEE C=CCC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)c1ccccc1 1536283632 UXDRACSZYQXGJP-NHRMXYMRSA-N 285.431 4.803 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)c(Cl)c1 1538727719 NKMUEIMAHJYEEQ-CQSZACIVSA-N 291.822 4.644 30 10 CJEE C=C(CC)C(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 1542089598 UMXQCDJTIFTWRI-INIZCTEOSA-N 293.838 4.900 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(Br)c(C)c1 1560877851 FDZGABHHEJETRZ-AWEZNQCLSA-N 296.252 4.592 30 10 CJEE C=CCCC(C)(C)NCCc1ccc(C(C)(C)C)cc1 1560943833 BOAPQKGSFDTVGE-UHFFFAOYSA-N 273.464 4.861 30 10 CJEE C=C[C@](C)(CC)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1585759710 IDQAQRSVBZPQNF-GOSISDBHSA-N 279.468 4.557 30 10 CJEE C=CC(C)(C)CC(=O)OCc1cc(Cl)sc1Cl 1587344722 BHQQUAOZLIUZOS-UHFFFAOYSA-N 293.215 4.700 30 10 CJEE C=CCCCCCCCNC(=O)c1c(C)cccc1C 1596317006 GRZLVAZHXZMFNU-UHFFFAOYSA-N 273.420 4.560 30 10 CJEE CC(C)CCN(CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 1621144405 DNBCJUWUIYUHPU-PMACEKPBSA-N 298.474 4.759 30 10 CJEE C=C(C)[C@@H](Nc1nc(CC)cs1)c1ccc(F)c(F)c1 1642593274 QFBJZXHSYQKADT-CQSZACIVSA-N 294.370 4.713 30 10 CJEE C=CCCN1c2ccccc2CC[C@H]1c1ccccc1 1648563193 DKWQXPLFDHJQIP-IBGZPJMESA-N 263.384 4.757 30 10 CJEE C=CCCC[C@H](NCc1ccc(CC)cn1)c1ccccc1 1654660100 KOXMITRVIPOAND-FQEVSTJZSA-N 294.442 4.831 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1nc(Cl)ccc1Cl 1659401855 WCKWIYRAVVUZKZ-WCQYABFASA-N 299.245 4.613 30 10 CJEE C=CCC(C)(C)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 1659867791 HAMLEQVNVWSIFD-CYBMUJFWSA-N 299.380 4.828 30 10 CJEE C=CCCCN(CC)Cc1cc(C)cc(Br)c1 1665841843 CTPBDVHFNXCBIS-UHFFFAOYSA-N 296.252 4.546 30 10 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CC(C)[C@H](C)N(CC[C@H](C)CCS)Cc1ccccc1 1931999266 WWNJYFCFEMPGNA-IRXDYDNUSA-N 293.520 4.879 30 10 CJEE CCCCCCCCCC1(CN)CCSCC1 1942117300 GDAWFDNHUACHTN-UHFFFAOYSA-N 257.487 4.599 30 10 CJEE Cc1cc(C#N)cc(C)c1OCCC(C)(C)C(F)(F)F 1968639469 TXBOFGVNHFJORW-UHFFFAOYSA-N 285.309 4.533 30 10 CJEE CC(C)(C)C1CC(CNc2ccc(C#N)cc2Cl)C1 1971518502 SKJDJCXZPRHJHN-UHFFFAOYSA-N 276.811 4.696 30 10 CJEE CCCCCCCC[C@H](N)c1cc(Cl)ns1 1979677749 SUUZHBVDKNOHEF-JTQLQIEISA-N 260.834 4.547 30 10 CJEE C=CCC[C@@H](C)[C@@](O)(CC)c1cccc(Br)c1 1996460625 LHHVBLZHGLERTM-DOMZBBRYSA-N 297.236 4.649 30 10 CJEE C=CCCCCC[C@H](NCC)c1ncc(Cl)s1 2000348223 XQOMQHLSMOUFBZ-NSHDSACASA-N 272.845 4.584 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1snc(Cl)c1Cl 2002134480 SVMSPTXBJHVQQK-QPUJVOFHSA-N 289.231 4.712 30 10 CJEE C#CC[C@H](C)C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2019959573 QBXOVSLMMCFLLS-GZMMTYOYSA-N 291.605 4.730 30 10 CJEE C=CCCCCCC[C@](O)(CC)c1cccs1 2026014704 LZNRYPKDUSMHOZ-OAHLLOKOSA-N 252.423 4.872 30 10 CJEE 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C=CCCCCCCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NN 2207432744 RWVLQNHNGDEZKF-FJIDUMEYSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](N)CC(C)(C)C 2207433621 BNMFUFXEKWAESH-DLBZAZTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1[C@H]2CCC[C@H]21 2207441314 HIABIWOYOWRJNU-XWTMOSNGSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@@H](CN)N1CCCC[C@@H]1C(C)C 2207451141 UYNNKPDGPRORRC-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(CN)CCCCC1(C)C 2207452599 GOFHCIJTYVVOKD-WMZOPIPTSA-N 283.500 4.643 30 10 CJEE C=CCCCCCCCC(=O)c1scnc1C 2214622033 IDCWRSFYSHMMCX-UHFFFAOYSA-N 251.395 4.551 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCSC1 2218372291 AGHMQNVOCOIIMD-JJXSEGSLSA-N 263.450 4.630 30 10 CJEE CCCC#C[C@H](CC[C@H](C)CCCC)NCCC 2218436600 ZOPAJRUGAZGIOH-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCC#C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2218569489 XQZLZOPRPNBQAF-CYBMUJFWSA-N 276.788 4.515 30 10 CJEE C=CCCCCCCC[C@H](NC)c1cc(C)ns1 2220084478 JTHUBELODLNUPK-AWEZNQCLSA-N 266.454 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4.779 30 10 CJEE C=CCCCCCCCC(=O)C1(O)CCC2(CC2)CC1 2235527163 SDTSHGKCZFJGSO-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1CCCOC1(C)C 2235531539 ABTXYNQBAVJGAQ-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCOc1ccc(Cl)cc1C(=O)O 2235531692 BUNFAWVSOAKUES-UHFFFAOYSA-N 296.794 4.944 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1COC(C)(C)C1)NC 2235541779 LPBIYVVJJCJECB-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CC[C@@H]1OC 2236147551 QSTZFCZZDCTMLB-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCCc2scnc21 2238110450 YGPSXDHSUDPHTA-OAHLLOKOSA-N 292.492 4.979 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 2238153419 ANQOECWVDIKLTG-STQMWFEESA-N 291.826 4.623 30 10 CJEE CCCCCCCCCOC[C@@H](N)C1CC2(CCC2)C1 2239445081 FQSVCUABLHOVMF-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCC(F)(F)C(F)(F)F 2240405018 QAMUEPAVYBAMAM-NWDGAFQWSA-N 299.327 4.689 30 10 CJEE C=CCCN(CCCC[C@@H]1C[C@@H]1C)Cc1ccccc1 2241388422 JCXXAMSNKCXCQT-PKOBYXMFSA-N 271.448 4.891 30 10 CJEE CC=C(CC)C(=O)c1sc(Cl)cc1Br 2242106574 TVUQZXMVNXHRCS-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE CCCCCCC[C@](C)(O)c1sccc1CC 2248017516 BNNKJWGDGDNNMO-HNNXBMFYSA-N 254.439 4.879 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1cccc(Cl)c1 2250145930 PQSGCRPMGZXPSJ-OAHLLOKOSA-N 251.801 4.650 30 10 CJEE N#Cc1cc(F)c(SC[C@@H]2CC23CCC3)cc1Cl 2254067253 JCOSNIKUWUHXBB-JTQLQIEISA-N 281.783 4.633 30 10 CJEE C=CCCCCCC(=O)c1cccc(OC)c1Cl 2256204495 QSECEZWYVUVLNH-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE C=C(C)CC[C@H](NCCC)c1csc(Cl)c1OC 2256830568 LOIOYHYIJLXKNV-LBPRGKRZSA-N 287.856 4.807 30 10 CJEE C=CCCCS[C@H]1CCCC(C)(C)[C@H]1NCCC 2258976478 RKBRRDSDSAJUEW-GJZGRUSLSA-N 269.498 4.633 30 10 CJEE C=CCCCCCCCSCC(C)(C)CNCC 2259051155 JQOZLUMQYMXEAP-UHFFFAOYSA-N 271.514 4.882 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H](C)C1CC1)NCCC 2259194069 IKZAAVBDBFOLMQ-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](CC(C)(C)C1CC1)NCC 2259232875 GOCXJPPWAGFTMB-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@]1(C)CCCCC1(F)F 2259239979 VEHZLQHVXAPMEH-ZIAGYGMSSA-N 259.384 4.666 30 10 CJEE SC[C@H](CSC1CC2(CCC2)C1)c1ccccc1 2260538435 GZDKVANXESNGHH-CQSZACIVSA-N 278.486 4.766 30 10 CJEE C=C(C)C[C@H](NCC)c1sc(C(F)(F)F)cc1C 2263310252 CSLYIMMDAAKNDD-JTQLQIEISA-N 277.355 4.692 30 10 CJEE CC[C@H](CCC(C)C)Nc1cc(C)c(C#N)c(C)c1 2265847927 QCEKNKDSNZFDIV-OAHLLOKOSA-N 258.409 4.802 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1CC(F)(F)C12CCC2 2266292132 VTLSNOZWXYVAPD-ZIAGYGMSSA-N 272.379 4.988 30 10 CJEE N#C[C@@]1(CC2=CCCCC2)CCCc2ccccc21 2266445922 BCTJXUPHIYFTSH-SFHVURJKSA-N 251.373 4.675 30 10 CJEE C=C([C@H](C[C@H]1CCCC12CC2)NCCC)C(C)(C)C 2266596657 RAKMRMRXFXAZSU-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CC1CC2(CCC2)C1 2268488123 YOEQYDCRFLPTKT-LJQANCHMSA-N 285.497 4.974 30 10 CJEE CCCOc1ccc(CC=CC#CC(C)(C)C)cc1 2268748391 OPOQPTWLQGQMKE-UHFFFAOYSA-N 256.389 4.624 30 10 CJEE CCCCCC#CCNc1cccc(C(C)(C)C)c1 2270207851 VXMIYQAOCCFQQL-UHFFFAOYSA-N 257.421 4.980 30 10 CJEE C=CCCCCCCCS[C@H]1CCC2(CC2)[C@H]1NC 2271597747 ZILMUUMVBABNBC-HOTGVXAUSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCC[C@H](C(F)(F)F)C1 2271785421 MSEHWTKVSXIXGC-KGLIPLIRSA-N 277.374 4.691 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CCCCCCOC 2271907536 VVRNBONQCOYPMT-LJQANCHMSA-N 291.501 4.600 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC2(CSC)CC(F)(F)C2)C1 2273939094 CTJGZAFVCIAELF-QWHCGFSZSA-N 290.419 4.550 30 10 CJEE CC[C@](N)(C#CC1CCCCC1)CC1CCCCC1 2274001513 VNMBMPAUMFVSTH-SFHVURJKSA-N 261.453 4.648 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H](CC)CCC 2274109567 CYEWYVAKUATPEC-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C(#CC1CCCC1)CNc1ccccc1C1CCC1 2274113503 SIRVMEIVCIKLFU-UHFFFAOYSA-N 253.389 4.560 30 10 CJEE CCCC#CC[C@H](NCC)C1CC(CC(C)(C)C)C1 2274233556 FSIBNBOFTQFUQU-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@](C)(C=C(C)C)OCCC(=O)O 2274657001 NRVITCPGLUSESC-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](OCCN)c1sc(C)cc1C 2276030260 JEBDDSIWCUCCQR-HNNXBMFYSA-N 283.481 4.742 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1C 2276653319 ITWWDKMHUFCGDH-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1CCC 2276746280 KWUOAZKLTMTJCI-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1CC(C)C1 2276932433 HRAXMMIGCWJDDW-JCYILVPMSA-N 269.473 4.517 30 10 CJEE C=CC[C@H](C)[C@@](C)(CCCCCCCC)OCCN 2277384464 QQQJMQIAEGSYNV-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 2278240512 ZSNMOQCJADGRFG-KHHDSSOXSA-N 263.469 4.760 30 10 CJEE C=CCCCCCC[C@@H](N)c1nc(C(F)(F)F)cs1 2278698405 OIBYDXLRVXQGHK-SNVBAGLBSA-N 292.370 4.688 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279189592 QGUBATYNNSXYPV-JLVJUDLZSA-N 291.401 4.936 30 10 CJEE Cc1cc(Cl)ccc1CNc1cc(C)c(C#N)c(C)c1 2280583737 VXTKQNRWAMQBJH-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H]1CCC1(C)C 2280962709 HOQNKQIZKQEKEG-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CC(F)(F)C23CCC3)CC1 2281031116 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IYYHNUXQEVUHOL-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2293049785 LFUVWIFXLINXAB-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](CC[C@H]1C[C@@H]1CC)OCCCN 2293599125 LHRCZPOSVWLSIW-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCN)c1csc2ccccc12 2294243363 RAHVJQDSQLONIJ-DYVFJYSZSA-N 289.444 4.520 30 10 CJEE CC(C)CCN(CC(C)C)CC1(C=O)CCCCCC1 2294751560 YQAMYYLMEYYWOU-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@H](C)N(CCN)C1CCCC1 2295520712 UGAXYODMLMBLKT-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C1CC(CC)C1 2295683212 YQMRAQIKPYPGSC-HIEASXQVSA-N 283.500 4.642 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@@H](C)[C@](C#N)(NC)C1 2295709749 CYHACLBAQOOFLO-TWMKSMIVSA-N 296.524 4.606 30 10 CJEE Cc1c(C[C@@]2(C#N)CC2(C)C)ccc(Cl)c1Cl 2301012363 DPLRMABXYSTIBX-AWEZNQCLSA-N 268.187 4.784 30 10 CJEE Cc1c(Cl)ccc(NC[C@H](C#N)C(C)C)c1Cl 2301848653 LVSSFSLPCWDILO-JTQLQIEISA-N 271.191 4.510 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H](CC)CC(F)(F)F 2304051247 FBZXGYWVJWUPOK-SNVBAGLBSA-N 250.304 4.527 30 10 CJEE CCCCCCCOCC1(CS)CC(C)(C)C1 2304487022 OEDZEPFXYRSRQK-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE C=CC1(CN[C@@H](C)CCCC(C)C)CCCCC1 2313572958 WLOYHHOFVWSBBO-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 2315422471 PRARDTNFEZQXMR-HEHGZKQESA-N 263.812 4.735 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2 2316736709 OSQQMJCNIXZLJT-MWDXBVQZSA-N 252.442 4.924 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1[C@@H](C)[C@@H]1C)NCCC 2321094941 DNWKCZLDTXQNKQ-DIECFANBSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(CCC)s1 2321098048 HBVQAPAKFCYQOW-XJKSGUPXSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)s1 2321101814 MAXHECPVXXJGHR-NEPJUHHUSA-N 277.355 4.759 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2321105339 ONCQECPUALKLRP-CQSZACIVSA-N 286.246 4.726 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CCC[C@@H]2C[C@H]12 2328974375 UVRWCYIQCVXZFK-IKGGRYGDSA-N 283.525 4.767 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329793479 XEIQQYWJOHGPPJ-ZSAUSMIDSA-N 267.363 4.778 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329831743 MTOASLMAOBHXQF-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2C[C@H]3CC[C@@H]2C3)CCC1 2334625086 ZUYYUGCRCIBWHH-HZMVEIRTSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)SC[C@@H](C(=O)O)C1CCCCC1 2335092601 AYFISKLMBDPNBC-OAHLLOKOSA-N 282.449 4.522 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#CC1(SC)CC1 2336187805 CLQWDSFJKHYPII-MRXNPFEDSA-N 282.493 4.777 30 10 CJEE CCCCCCCCC(=O)C[C@H]1COC2(C)CC1C2 2337894049 SPZRPRROCIMNEX-UQPPLGOBSA-N 266.425 4.511 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cc(F)ccc1C(F)F 2338028519 WOVHOQLMVVRQFZ-BMIGLBTASA-N 267.294 4.636 30 10 CJEE CCC(CC)CC[C@]1(C#N)CCc2ccccc2C1 2338171312 LXSCDLJFHFPUBT-SFHVURJKSA-N 255.405 4.902 30 10 CJEE CCCCCCCCC[C@](C)(O)C#Cc1cccs1 2338397831 VLHRBRDPAXPRNF-KRWDZBQOSA-N 278.461 4.991 30 10 CJEE C=CC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCCC1 2338918940 ATIGNDLLMAGCPF-YESZJQIVSA-N 261.453 4.681 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](C)CCCCNCCC 2340374044 UMZIRLBUJZRFCK-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=C1C[C@@H]1[C@H](CC1C[C@H]2CCC[C@H](C1)C2)NCCC 2341893108 KXENZBMZXQVURY-LAQRGFTBSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 2343407910 MHXBJYLFJNRJOH-GBIKHYSHSA-N 296.197 4.606 30 10 CJEE CC(C)c1cccc(C[C@@]2(C=O)CCC[C@H](C)C2)c1 2343758288 BVQHNEFVWDQFNS-MAUKXSAKSA-N 258.405 4.748 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(CC(C)C)cc1 2344336568 KCDUJENMAINGBU-ZWKOTPCHSA-N 259.437 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(F)c(C)c1Cl 2344460339 QGMPSTRNTBXVSH-HOCLYGCPSA-N 284.802 4.683 30 10 CJEE CCCC(CS)(CCC)COC[C@H]1C[C@]12CC2(F)F 2352499233 NGKDOFDAQKQLHN-OCCSQVGLSA-N 292.435 4.565 30 10 CJEE CCCCCCCC[C@H](C)NCC1(Cl)CCOCC1 2353108805 GNIMKXAEJSVHOA-HNNXBMFYSA-N 289.891 4.503 30 10 CJEE Cc1cc(Cl)c(C#CCCNCC(C)(C)C)c(Cl)c1 2353121914 NLNDDZLTVOQHKQ-UHFFFAOYSA-N 298.257 4.679 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CCC[C@@]1(C)N 2358322118 KSXVWBCXHXADFY-KZNAEPCWSA-N 281.484 4.562 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2359314377 QTQZARGKDLNJND-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)[C@H](C)CC1CC1 2360338373 URGWDXPNTCCTLO-NXHRZFHOSA-N 283.500 4.512 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(C#N)c1 20566370 GFEXIPIXRKJGPU-JKSUJKDBSA-N 256.393 4.575 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc3ccccc3c2)c1 37936712 JMLOUTDXAAHPRP-LJQANCHMSA-N 272.351 4.825 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)Cc2cc(C)ccc2C)c1 57760083 ZATLVYOGLPRPQD-SFHVURJKSA-N 293.410 4.724 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(N(C)C)cc1 59379297 MMDUQDNJQRVADN-HNNXBMFYSA-N 262.441 4.914 30 10 CJEE CCCc1oc(-c2c(OCC)cccc2OCC)cc1C#N 77081661 BMAQAHDOUJNJDS-UHFFFAOYSA-N 299.370 4.568 30 10 CJEE CC(C)c1cc(C#N)c2ccc(Cl)c(Cl)c2n1 82467759 BPOLMCHEEVGJTI-UHFFFAOYSA-N 265.143 4.537 30 10 CJEE Cc1cccc(Cl)c1/N=C1/NC2(CCCCC2)CS1 90534959 FHPYJTJKAHLEDY-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CC[C@H]1CCC[C@](O)(C2(C#N)CCC(C)(C)CC2)CC1 91903299 DWYMQGOUKFOGQF-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE C=C(C)C[C@@H](NCC)C(c1ccccc1)c1ccccc1 92129371 YHFQCMGFEMIGPJ-LJQANCHMSA-N 279.427 4.763 30 10 CJEE SC[C@@H](CSCC1CCCC1)c1ccccc1 94589646 RCSPUEJHVDJMAX-HNNXBMFYSA-N 266.475 4.623 30 10 CJEE Cc1c(Cl)cccc1N/C=C\C(=O)c1ccc(F)cc1 101478148 LNKMYERGADURIG-KTKRTIGZSA-N 289.737 4.596 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1cccc(C)c1 103705115 VACCHVPPIUWGLM-MRXNPFEDSA-N 257.377 4.532 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1CCCNC1 109652690 RATAVNSJPQBLDF-GOSISDBHSA-N 283.500 4.924 30 10 CJEE CCCCCCCOc1ccc2ccccc2c1CCN 109762903 UYBPNKJUBVOGCQ-UHFFFAOYSA-N 285.431 4.690 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccc(F)cc1 109961262 ZFLUYCHWNQPHLI-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE C[C@H]1CCc2ccccc2N1c1cccc(Cl)c1C#N 110251130 FIOHXKKGRCVYAP-LBPRGKRZSA-N 282.774 4.684 30 10 CJEE CCCCCCC[C@H](Cc1ccc(F)cc1)NCC 110446518 JGDFMXAVFKARLW-QGZVFWFLSA-N 265.416 4.707 30 10 CJEE CCCCCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2O 110918191 XHDMRPBWJZFAFH-MRXNPFEDSA-N 292.419 4.630 30 10 CJEE CCCCCCC[C@H](CN)N1CCC[C@H](C(C)(C)C)CC1 112757281 SOCUBDVNMYRUGY-ZWKOTPCHSA-N 296.543 4.822 30 10 CJEE CCCCCCCCC[C@H](N)C1(N2CCCC2)CCCC1 118177216 REDDIQDRLLHVQB-SFHVURJKSA-N 294.527 4.863 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)cccc1F 118713293 GUKGZUSPILORTK-CQSZACIVSA-N 255.352 4.715 30 10 CJEE CCCCC[C@@](C)(O)C1(C#N)CCC(C(C)C)CC1 132952772 UYTVRKUCEGJWQY-AQFXKWCLSA-N 265.441 4.674 30 10 CJEE C=CCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 155995847 URQZBLCYZMJAMQ-BZUAXINKSA-N 251.458 4.783 30 10 CJEE N#Cc1ccc(CNc2cc(Cl)ccc2F)c(Cl)c1 162613428 JVLOGOOBYUTJDK-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCN[C@@H]1CCc2ccc(C)cc21 163452861 HDCMVKQWBUZGNK-GOSISDBHSA-N 259.437 4.932 30 10 CJEE CSC(=S)N(/C=N/c1ccccc1)c1ccccc1 196197324 ORPHTYWJSYXZNK-FOWTUZBSSA-N 286.425 4.501 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCc2ccccc21 203381283 HTVQIBIDHAOXGR-KRWDZBQOSA-N 254.373 4.566 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](C(=N)N)C1 203603049 JVQMZCJKKPPWHZ-QGZVFWFLSA-N 295.515 4.555 30 10 CJEE CC(C)c1cccc(C(C)C)c1OC/C=C\CS 211538259 UEPCYTRZOUNSSE-WAYWQWQTSA-N 264.434 4.798 30 10 CJEE N#C[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)C1CCCCC1 217456179 RPPBBWLECWXBRX-OTWHNJEPSA-N 282.431 4.590 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccc(Cl)cc2)C1 217815032 ZYOHZYVDPPVYFP-TZDHZFECSA-N 290.838 4.661 30 10 CJEE CCCCCCC[C@H](C[C@@H]1Cc2ccccc21)NC 229733111 XKHPTHXNPWYBFB-DLBZAZTESA-N 259.437 4.665 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(F)c(Cl)c1 232034686 XUQVKBVRWAKXRK-UFBFGSQYSA-N 287.165 4.627 30 10 CJEE CCCCCCCCCC[C@](CN)(CO)CC(C)C 232928011 MGQFDSYVBQBZNN-KRWDZBQOSA-N 271.489 4.501 30 10 CJEE Cc1oc2ccc(C3(C#N)CCCCC3)cc2c1C 260535302 HXCFZTSTZXBCQL-UHFFFAOYSA-N 253.345 4.775 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 308058186 SQOISYRMMFWLNZ-YPMHNXCESA-N 295.785 4.728 30 10 CJEE CCCCCCCCC[C@@H](O)C(C1CC1)C1CC1 310632787 OOOCTSZVZFUZLD-MRXNPFEDSA-N 252.442 4.924 30 10 CJEE N#CC1(CCCCC2CCOCC2)CCCCCC1 311326042 CSRLYKVXGVSDRO-UHFFFAOYSA-N 263.425 4.838 30 10 CJEE CCC1CCC(C#N)(CC#Cc2ccccc2)CC1 311395397 SEODFMAPSQLOFK-UHFFFAOYSA-N 251.373 4.538 30 10 CJEE CCCCCCCCCCO[C@@H]1CCNCC1(C)C 311963168 INXMYFKGNBOGEZ-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H](CNC(C)C)O1 312084295 VPPFOEDPPSQFKV-IAGOWNOFSA-N 269.473 4.673 30 10 CJEE N#CC1(C[C@@H]2CCOc3ccccc32)CCCCCC1 312554018 QMXUMTRWHZXXRU-HNNXBMFYSA-N 269.388 4.807 30 10 CJEE Clc1cc(Cl)cc(N=Cc2ccccc2)c1 381052239 IFWNBYYOJPQPCS-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE Cc1cc(C)cc(C#Cc2cc(Br)cs2)c1 383436881 XQUJJJFOIKNPSO-UHFFFAOYSA-N 291.213 4.527 30 10 CJEE C=CC[C@@H](CC)N[C@H]1CCC(C)(C)c2ccccc21 393786328 VBSROAZVGXIGFQ-PBHICJAKSA-N 257.421 4.743 30 10 CJEE CC[C@H]1C[C@H](C)CN1CCCCCCCCCS 399680544 QARCLQSKDSFKRO-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE C=CCCc1ccccc1NC(=O)c1c(C)cc(C)cc1C 410352389 ONAJDMZRRFAOII-UHFFFAOYSA-N 293.410 4.983 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 464564740 XEGMBOYYUGAIIC-MRXNPFEDSA-N 293.410 4.818 30 10 CJEE N#C[C@H]1CC=C(c2c[nH]c3c(Cl)cccc23)CC1 527400617 WOBXFPJEPJSNBJ-JTQLQIEISA-N 256.736 4.528 30 10 CJEE C#CCCCCC[C@H](N)[C@H](c1ccccc1)[C@H](C)CC 686691908 WYYJEZHLVZGVCH-NEWSRXKRSA-N 271.448 4.727 30 10 CJEE C=CCC[C@@H](NCC)C1CC(C)(C)CC(C)(C)C1 688347994 ZULZHEALMASEPX-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)C[C@@H](C)CC 692254360 ODQVHVCEHZIIQD-YVSFHVDLSA-N 251.458 4.926 30 10 CJEE CCc1c(-c2cc3cscc3s2)sc(C#N)c1N 694336865 YPRDOOFBBBOOLU-UHFFFAOYSA-N 290.438 4.708 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C)c1ccc(N)cc1 695898875 OCYFEFLGEPOINY-CRAIPNDOSA-N 277.452 4.874 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H](CN)CC(C)C 696039759 XVXLZYRVBQOKGF-MSOLQXFVSA-N 285.516 4.889 30 10 CJEE CC(C)C1CCC(C=O)(Cc2csc(C3CC3)n2)CC1 696633712 ZLTDGFKBAWIZSE-UHFFFAOYSA-N 291.460 4.595 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)c1cccc(Cl)c1 701864486 NGFIUEGSPMCDJC-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCc2cc(Cl)ccc21 701865897 WUXAOQGYGFGMLL-OAHLLOKOSA-N 263.812 4.519 30 10 CJEE Cc1ccc(COc2cccc(Cl)c2Cl)cc1C#N 701869607 OTOWIBCBZYXMIL-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCCCCCn1ncc(N)c1C 704922960 MXQGAUUOSAKRTG-UHFFFAOYSA-N 265.445 4.695 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C(C)(C)OC 704924013 YDTGQBFYKMKXSJ-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1cc(C#N)ccc1C 709146624 FMCPXIFQGDVBRC-CVEARBPZSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H](N)C1CCCC1 718848940 XFTTZUDKPJSHRA-GOSISDBHSA-N 281.484 4.994 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)[C@@H]1C[C@@H](C)C[C@@H](C)C1 719376052 FCEXNHLGWYFDOF-WBTNSWJXSA-N 271.404 4.683 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C1CCCCC1)C1CC1 723880756 DXEPFWCOHSSDKV-SFHVURJKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc3c(s2)CCC3)CC1 724549937 SRAPJNZNKPQMHR-OAHLLOKOSA-N 275.461 4.634 30 10 CJEE N#Cc1c(OC(F)(F)F)sc2c(C(F)F)cccc12 725291579 SXYPODAKHFSNOQ-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE Cc1ncccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 728785339 AWGFTERJCXOKSG-FMIVXFBMSA-N 279.383 4.584 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1CCC(C)(C)CC1 821987890 OMGAHPLTWJLYLY-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 1125294060 GOYSCGQODQLFMH-KRWDZBQOSA-N 287.447 4.801 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCCOCC1 1170841644 SWEZCXXVTMVEIW-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C#CCCCCNC1CCC(C2CCCCC2)CC1 1178165668 DCSUUGILZVPHNY-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCOc1cccc(CN[C@H](C)C2CCCCCC2)c1 1178454442 RIQWIFBIHKOBGM-MRXNPFEDSA-N 287.447 4.700 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@H](C)O[C@H](C)C1 1190496329 VLZXJJFRTHPSCE-PIIMJCKOSA-N 283.500 4.872 30 10 CJEE C=CCCCCCCCNC[C@H]1CCCC[C@@H]1C 1202664173 AHYJRKFKYLBUPG-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCCN1Cc2nc(C)sc2C1 1209446149 SMLVKFFMWQIIBU-UHFFFAOYSA-N 278.465 4.684 30 10 CJEE C=CC(C)(C)NC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1209465251 SBUPMNJEIWSPIP-GFCCVEGCSA-N 286.419 4.558 30 10 CJEE 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CJEE C=C1CCC(CC2(O)CC3(C2)CC2(CCC2)C3)CC1 2139259643 YBLRVINGASWFSY-UHFFFAOYSA-N 260.421 4.598 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncn2ccsc12 2139680593 IIAHSEYRFNVHPH-CYBMUJFWSA-N 280.437 4.570 30 10 CJEE C=CCCCCCC[C@]1(N)CCSc2ccccc21 2141913256 GKSDGAGCGFYAAH-KRWDZBQOSA-N 275.461 4.863 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@@H]1C1CCCC1 2141921456 JYJNJXPWGLQFHO-KURKYZTESA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H]1N[C@@H](C2CCCCC2)CO1 2142454924 FWCQBWVACVOZIR-SJORKVTESA-N 267.457 4.632 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(C#N)CCCC[C@@H]1C 2142461761 ODIHOHDKDHHNGS-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 2143614681 YYOKSHXSUKDQHU-XJFOESAGSA-N 289.341 4.597 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@]23CC[C@](C)(CC2)OC3)C1 2144396051 UUUBKMMJHHSAQJ-ZJPYXAASSA-N 278.436 4.511 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1ccccc1CCC 2144504187 DZMDXPUNKRPYGF-QGZVFWFLSA-N 273.464 4.620 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccccc1CC(C)C 2145609502 IJXNCIGKMNYPFC-GOSISDBHSA-N 271.448 4.585 30 10 CJEE CCCCCCCCCCN=C1NC[C@H](C2CC2)CS1 2146183391 LETFPFWTPFLTEZ-INIZCTEOSA-N 296.524 4.846 30 10 CJEE CCCCCCC[C@H](NCC)C1(O)C[C@@H](C)C[C@H](C)C1 2148578036 JCUXTIGPPZNJOE-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(O)CCC(C)(C)C[C@@H]1C 2148578889 NVYLKEYJIJFSJA-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)C1(C)CCCC1 2148592652 UQOITPREXGDZSA-IAGOWNOFSA-N 283.500 4.786 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](CC#CC2CCCCC2)NC)C1 2149869876 IYJGHDQKXXLAOW-QRQLOZEOSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C[C@H]1CSC(=NCCC2(C)CCCCC2)N1 2150600550 HESFWHNWPQYKAX-AWEZNQCLSA-N 296.524 4.844 30 10 CJEE CCCCCCCCCCCCN1CC[C@](O)(CC)C1 2150764814 XAMVRJFNHATNPH-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CC(C)(C)CCN1 2154418685 JKOBTKPUHHQEJQ-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NN 2156010854 ZQLOYLTYFCGOSE-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CC[C@]2(C1)CC2(F)F 2156147108 MUIDTHPLRTVFPM-JYJNAYRXSA-N 285.422 4.927 30 10 CJEE CC1CCC2(CC1)CC(Nc1cc(Cl)ccc1C#N)C2 2156627965 KOODWRDWVZIJDZ-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE C[C@H]1C[C@H](C[C@@]2(C=O)CCCC(C)(C)CC2)C[C@@H](C)O1 2157098723 ICWFFFHQEMTXMX-KYHPRHEASA-N 280.452 4.756 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2cc(F)cc(F)c2)CC1 2157107798 UFNKYFAYMQSZES-QGZVFWFLSA-N 280.358 4.683 30 10 CJEE C=CCC[C@@H](C)[C@H](Cc1ccc2ccccc2c1)NC 2158320874 OZEWSXRZEWAMOS-BEFAXECRSA-N 267.416 4.573 30 10 CJEE C=C1CC(CC[C@H]2CCCC2(F)F)(CNC(C)(C)C)C1 2159593346 AARUPVRPGBURHM-CQSZACIVSA-N 285.422 4.927 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)c(C)c1 2163945109 NZJPNPCNECXHKH-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE CC[C@H]1NC(=NC2CCC3(CCCC3)CC2)S[C@@H]1CC 2164049392 GWNHXQUIDVOKNM-HUUCEWRRSA-N 294.508 4.739 30 10 CJEE CN(C1CC2(CCCCC2)C1)[C@H]1CCCCC[C@@H]1C#N 2164852072 AAMTWYFITPLXNV-WBVHZDCISA-N 274.452 4.504 30 10 CJEE CCCCCCCCCCCCN(CCO)[C@H]1C[C@@H]1C 2167107051 QAETXQMCODZKTA-ROUUACIJSA-N 283.500 4.610 30 10 CJEE N#C[C@@]1(C[C@H]2[C@H]3CCCC[C@H]32)CCc2ccccc2C1 2167349322 FDXVUHAJADCAPF-RDGPPVDQSA-N 265.400 4.512 30 10 CJEE C=CC1(C[C@@H](NCCC)c2cc(F)cc(F)c2)CCC1 2168024940 YIGGZJFTXRYVJP-MRXNPFEDSA-N 279.374 4.752 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CCCC(C)(C)C2)c1 2168635744 QCFKWJCPWMRBEU-HUUCEWRRSA-N 270.420 4.884 30 10 CJEE N#CC1(C[C@H]2CCCC3(CC3)C2)Cc2ccccc2C1 2169094433 USTJDTFQUYHIAO-HNNXBMFYSA-N 265.400 4.656 30 10 CJEE C=CCOc1ccccc1[C@H](CC=C(C)C)NCCC 2171033152 YYZUMQHTQHDZJK-KRWDZBQOSA-N 273.420 4.648 30 10 CJEE N#C[C@]1(C[C@@H]2CCC3(CCC3)CO2)CCCCC12CC2 2173611584 IWLFUHVPTZELTA-MAUKXSAKSA-N 273.420 4.590 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(C(C)(C)C)ccn1 2176180532 ZTCAEUPKMCKXRL-MRXNPFEDSA-N 274.452 4.776 30 10 CJEE CC=CCCC[C@@H](NC)[C@@H](O)CCCCCCCCC 2179771030 IHEWNXMAGHPKON-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@H](O)CC1C[C@@H]2CC[C@H](C1)O2 2181279663 LCWWXDNAUQQGGX-KCBNDJSGSA-N 282.468 4.836 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)COC2CC1C2 2183082703 LMYOBAZQKQAMNE-DAWZGUTISA-N 281.484 4.804 30 10 CJEE CCCCCS[C@@H]1CC(C)(C)C[C@](C#N)(NC2CC2)C1 2183512426 HBCTYMOFAPMGJO-NVXWUHKLSA-N 294.508 4.503 30 10 CJEE CC[C@@H](CCC(C)C)N(C)C[C@H](CS)c1ccccc1 2186015299 DMRRWHGFFJYOGB-MSOLQXFVSA-N 293.520 4.847 30 10 CJEE CC[C@@H](CCC(C)C)N(C)C[C@@H](CS)c1ccccc1 2186015301 DMRRWHGFFJYOGB-ROUUACIJSA-N 293.520 4.847 30 10 CJEE CCSc1cccc(CNc2ccc(C#N)c(C)c2)c1 2187845364 OMZOHWOMYJHLJR-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCOCC1(C)C 2189792030 NHOIPWLYDRSXLL-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CC(C)(CC(F)F)Nc1ccc(C#N)c2ccccc12 2190214553 BZGXTHFCKVGZPE-UHFFFAOYSA-N 274.314 4.557 30 10 CJEE C[C@H]1CCC[C@@]1(C)Nc1ccc(C#N)c(C(F)(F)F)c1 2193280626 YAYIMWBQPUPHPX-IINYFYTJSA-N 282.309 4.568 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(N)CC[C@H](CC)CC1 2194339957 MDOJLGNIRVKCQX-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@]12CCOC[C@@H]1C2 2194488565 YGIIFZWZCJTHHW-BZSNNMDCSA-N 282.468 4.695 30 10 CJEE CCCCCCCCN(C)C[C@H]1CC(C)(C)OC1(C)C 2196700119 FVOLUHLIUAQDPM-MRXNPFEDSA-N 283.500 4.872 30 10 CJEE CCCCCCCCN(C)[C@@H](C)[C@H](C)CNC(C)(C)C 2196702126 ZLZGZCWIUQWRGK-SJORKVTESA-N 284.532 4.691 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 2196853071 FVBKIDFMGXGPCJ-WNRNVDISSA-N 277.496 4.867 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccccc1C1CCC1 2197151947 QMFREXJVASVFGW-LJQANCHMSA-N 264.368 4.701 30 10 CJEE C=CC1(CN[C@H]2CC3C[C@H]4CC2C[C@@H](C3)C4)CCCC1 2197434136 OAVHHPVSDHXALJ-QNVOQPSNSA-N 273.464 4.537 30 10 CJEE Cc1ccccc1N[C@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2200283379 UIJSXDAYMYKUKB-LZLYRXPVSA-N 268.404 4.516 30 10 CJEE C#Cc1ccc(NC[C@@H]2C[C@H]2C2CCCCCC2)cc1 2200296633 OVSXDCZYGFWNOR-HKUYNNGSSA-N 267.416 4.686 30 10 CJEE CCCCCC#CC[C@@](C)(O)c1cc2ccccc2o1 2203778265 CHUPFWAVFNUDOL-GOSISDBHSA-N 270.372 4.614 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)C1CCCCC1 2203798879 SFHRSFLLWJXSJP-SJCJKPOMSA-N 293.813 4.712 30 10 CJEE CCCCCC#CC[C@H](NC)c1cc(Cl)cc(F)c1F 2203818401 FTURIXJECCCGKR-HNNXBMFYSA-N 299.792 4.853 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)CC(C)(C)CC[C@H]1C 2206899513 LZYDWKKBRWYWLZ-QAPCUYQASA-N 280.452 4.659 30 10 CJEE CC1(C)CCC(C#N)(CC2C[C@H]3COC[C@H](C2)C3)CC1 2206969921 FNGGGXNGOJDEBR-HZPDHXFCSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(O)CCS[C@@H](C)C1 2207377104 ZWTNLZCBSXKSBK-DOTOQJQBSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@]1(O)C[C@@]2(C)CCO[C@H]12 2207402369 JRTDFBNDZPCKBK-KSZLIROESA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@H]1C[C@H](C)O 2207414021 MDYFSUHATYXTOJ-ZWKOTPCHSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCO[C@H]1C[C@@H](N)CC(C)(C)C1 2207431742 IJFAAMDDEBZXMF-SJORKVTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](C)[C@H]1CCCO1 2207440537 YIEMPYDJHGTBMF-OKZBNKHCSA-N 281.484 4.826 30 10 CJEE CCC=CCCOCC1(CS)CCCCCC1 2215339052 NBCOFBFNTJVUFT-UHFFFAOYSA-N 256.455 4.630 30 10 CJEE N#Cc1cnc(SCCCCCC2CC2)c(Cl)c1 2220022724 LEDJNAUCMZYIGH-UHFFFAOYSA-N 280.824 4.669 30 10 CJEE SCCCCCCCCCOC[C@H]1C[C@H]2C[C@@H]1C2 2222321069 RSAGEHWUUSJJDQ-OWCLPIDISA-N 270.482 4.710 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2223346881 GHOVEFADYKNALL-TVQRCGJNSA-N 290.209 4.995 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CCC[C@H]1C2 2223848430 OSMXYSFPTKWZHH-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C(F)(F)C12CC2 2223848437 OVYUMWUNRRTLRV-QWHCGFSZSA-N 259.384 4.513 30 10 CJEE C=CC[C@H](CNCCC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225345447 RKPDWAGLRJAGCM-XWTMOSNGSA-N 263.469 4.785 30 10 CJEE CCCCCCCCN1CCC(C#N)(C(C)C)CC1 2225753092 WHTYNHNWERTLMG-UHFFFAOYSA-N 264.457 4.609 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2227273966 TULAXCKIGIOTPS-APIJFGDWSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2227276347 QXPZRFQJRTXEPG-QLFBSQMISA-N 271.395 4.536 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCC12CCCCC2 2230515128 WSOVPESUPBRLJC-INIZCTEOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCOc1nc(C)c(N)cc1Cl 2230983473 NHAZCXOTQJYOKG-UHFFFAOYSA-N 284.831 4.755 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](C)[C@@H](N)C1 2231024452 HTUZOUZOTREYHI-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCCCCCCOCc1ccccc1C#N 2231025805 FYOUTPRZKPUYJX-UHFFFAOYSA-N 259.393 4.825 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)CCCC 2231847690 SSBYHJDZFARXBD-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@H](C)CC(C)C 2231923934 DYHDNFZHMGGFGX-WBVHZDCISA-N 270.457 4.739 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](O)c1ccsc1 2231930379 VPTUQFRCZZTEOG-GDBMZVCRSA-N 283.481 4.510 30 10 CJEE CCCCCCCCCC[C@H](O)C1(CCC)CC(N)C1 2233431724 CGWMLOYHOCAKAF-ADKAHSJRSA-N 283.500 4.786 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](OC)C(C)(C)C 2235513156 IOQOIPHKGCWFAI-IRXDYDNUSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@@H](O)CCC1(N)CCCCC1 2235514055 PVRBESDEQFXQQF-QGZVFWFLSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CCC[C@H](OC)C1 2235526366 KFKQAJFZCKXGTA-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cccc(CC)n1 2235527674 XRAIRKUXYDTGAW-GOSISDBHSA-N 275.436 4.768 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc(COC)c1 2235531687 BTNXHEHKLWLXLG-SFHVURJKSA-N 276.420 4.783 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2cc3ccccc3cn2)C1 2236017935 LLTPZUBECJLRHM-GOSISDBHSA-N 264.372 4.596 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC[C@@H]1C[C@H]1C)NCC 2236450297 TYJJQINJQKSWCT-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)C1(C)CC2(CCC2)C1 2236525154 KMNWAGBFOIOYDB-KRWDZBQOSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCOCC1(CN[C@H](C)CC)CC1 2239466323 ATJDLCSTNLCEAS-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOC1C[C@@H]2CC[C@H](C1)N2 2239555727 ZUSPBRULRCKZFG-JWTNVVGKSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@]1(C)[C@H](C)C(=O)NC12CCCC2 2240575226 UEGZDRAMJBIUHP-NVXWUHKLSA-N 279.468 4.822 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@H](N)c2ccccc2O1 2240577241 XMGHDVRXCMZMOI-SJLPKXTDSA-N 275.436 4.978 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1cc(C)sc1C 2240641554 BXQHQGRNLJKGET-SJORKVTESA-N 297.508 4.866 30 10 CJEE CCC(CC)(CS)CN(C)Cc1coc2ccccc12 2241118153 SIAUYERJOZYVCD-UHFFFAOYSA-N 291.460 4.601 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)Cc1ccc2occc2c1 2241181282 QAOFHTOHSRWAFN-SFHVURJKSA-N 270.372 4.761 30 10 CJEE C=CCN(CC[C@H]1CCCC12CC2)Cc1ccccc1 2241469976 JZIRHAUZPISQFS-GOSISDBHSA-N 269.432 4.645 30 10 CJEE C[C@H]1CC[C@@H](CSCC2(CS)CCCC2)C1 2243693915 XDRRKFYXSOZLMW-QWHCGFSZSA-N 258.496 4.646 30 10 CJEE CC(C)C1CCC(C=O)(CC(Cl)=CCl)CC1 2246226431 KUGKSBHGWGNCGX-UHFFFAOYSA-N 263.208 4.727 30 10 CJEE C=C[C@H](C)C[C@H](CCCC[C@@H]1C[C@H]1C)NCCC 2254599226 UEXUJKSHTCFQGP-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)c1csc(Cl)c1 2256681435 KYJUEPBMQIWRQN-OAHLLOKOSA-N 282.836 4.605 30 10 CJEE CCCCCCCC[C@@H](N)c1csc(C)c1OC 2259136540 CYAPPZKZPSKHFL-CQSZACIVSA-N 269.454 4.816 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(SC)c1 2259173180 TZLKKJXNADMMSN-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@H](O)c1cccc(OC)c1Cl 2259190162 JSLMCFQOBQNTDH-ZDUSSCGKSA-N 268.784 4.519 30 10 CJEE C=C(C)CCCC[C@H](N)CSc1ccc(Cl)cc1 2259196739 OBTDKHHSXKEZEI-AWEZNQCLSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@H]2CCC[C@@](F)(C2)C1 2259202373 DPVXLCFETYLWND-XHSDSOJGSA-N 254.389 4.546 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@@H]1CNC1CC1 2263644067 CEDLJMPJKMUTQM-WBVHZDCISA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC[C@H](C)OC 2263660028 KZKYBDKVNWVVDS-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)[C@@H](C)OC 2263714745 YPEKTBANOONPBR-BZUAXINKSA-N 257.462 4.529 30 10 CJEE Cc1c(F)ccc(Nc2cccc(Cl)c2C#N)c1F 2264427218 DKULIKDPVKXSAJ-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC2C[C@@H]3C1[C@@H]3C2 2264440481 WEKGISJNPJFTKT-BFYMFYIXSA-N 263.469 4.891 30 10 CJEE CCCCCCCN(C)[C@H](C)c1ccc(O)cc1C 2268007306 PXGPPCSNONDNCF-OAHLLOKOSA-N 263.425 4.664 30 10 CJEE CC(C)CCCCCOCc1ccc(C#N)cc1Cl 2269427387 VDVNBGSRKZGIAX-UHFFFAOYSA-N 279.811 4.945 30 10 CJEE CCC(C)(C)N(CCC#N)CCCCC[C@@H]1C[C@H]1C 2269477909 JFBWFYMRTUDMBH-HZPDHXFCSA-N 264.457 4.607 30 10 CJEE CCCCCCC[C@H](O)c1nc(C)cc2sccc12 2270612707 NDMXRJNERJMTON-AWEZNQCLSA-N 277.433 4.999 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)C#Cc1ccccc1 2270971559 XTQLZQVCKROPLG-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H](C)C(C)(C)N 2271231215 LVMJIOFFMWPUFS-CVEARBPZSA-N 271.489 4.642 30 10 CJEE C=CCCCCCCCS[C@@H](CC(=O)O)C(F)(F)F 2271487883 BTTZSBATFZPVJU-NSHDSACASA-N 298.370 4.652 30 10 CJEE C=CCCCCCC[C@@](C)(OCCCN)[C@H](C)CC 2276143463 BKQCYYNYKOQCKR-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCC[C@H]1CCC 2276766011 AACRUHSPARHZLW-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H](C2CCC2)O1 2278128347 XMXKQCYPZOFQJL-DLBZAZTESA-N 267.457 4.632 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1nc(C(C)(F)F)cs1 2278707067 KRDAHCIVYUZYPM-CMPLNLGQSA-N 288.407 4.508 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1ccc(CCC)cc1 2283361561 WEKNZQNDGMBPEY-SFHVURJKSA-N 287.523 4.561 30 10 CJEE CCCc1ccc(C[C@]2(C=O)CCCCC23CC3)cc1 2283531323 WHCWAAXNUDFVHE-IBGZPJMESA-N 270.416 4.721 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(N)CC=CC#CC(C)(C)C 2284091103 RZQITMGGPOBOGA-HKUYNNGSSA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@]1(C)CCCCC1(F)F 2284114291 XCNVUTCPYWNZMW-INIZCTEOSA-N 282.374 4.767 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](C(=O)O)c1ccc(Cl)cc1 2284169339 BIIIDLONSGVMPW-OAHLLOKOSA-N 290.790 4.504 30 10 CJEE CC(C)[C@H]1CCC[C@@H](NCC=CC#CC(C)(C)C)CC1 2284183672 VKBPKBZALDXHAV-ZWKOTPCHSA-N 275.480 4.787 30 10 CJEE C(#CC1CCCCC1)COc1cccc2c1CCCC2 2285158730 AWJGVXDGEZCWDZ-UHFFFAOYSA-N 268.400 4.528 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H]2COC[C@@H]1C[C@@H](N)C2 2285829992 OKWYXOVOXJCFRN-FZDBZEDMSA-N 281.484 4.517 30 10 CJEE C=CCCCCN(C)CCCN(CCCC)CCCC 2286792674 GQDPZMJXKCTDDP-UHFFFAOYSA-N 282.516 4.567 30 10 CJEE CC(C)CCC[C@H](C)CCN(C)C1(C#N)CCCCC1 2287882162 ABMRTZLDIAQKRE-KRWDZBQOSA-N 278.484 4.997 30 10 CJEE CC[C@H](CCO)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 2289437049 PXLHLAVAHXCDIM-CAOSSQGBSA-N 297.508 4.625 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cc(C)cc(C)c1 2289685471 CWQMGTRJSDXYOK-LJQANCHMSA-N 269.432 4.538 30 10 CJEE C=CCCCC[C@](C)(CCCCCCC)OCC(=O)O 2291471739 BALJCIUUHFEREH-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CC[C@](C)(CCC(C(C)C)C(C)C)OCCC(=O)O 2291495162 XVSWFUVKBCKPIT-QGZVFWFLSA-N 284.440 4.521 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCC=C(C)C)OCCC(=O)O 2292233955 LEASRSSYYZRMKQ-KRWDZBQOSA-N 282.424 4.585 30 10 CJEE C=C(C(C)(C)C)C1(OCCC(=O)O)CCCCCCC1 2292237782 WWWYQRGRMDXXPO-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CC[C@@H](CC)C1 2292416354 FMTYOAJUBOCADR-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCC[C@]1(OCCCN)CCC2(CCCCC2)C1 2292735936 AWZHILBLHVBREY-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCCC1(C)C 2292785498 UZRRRVCMJLBFLX-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)C1CCCCC1 2292804948 OWBBGNSHKHQCJO-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CC#CCCCC[C@@H](OCCCN)C(CC)(CC)CC 2293940508 XZEOCBFQGAFNKX-QGZVFWFLSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)[C@@H]1C[C@@H]1C 2293995741 YKLNQEQUEJNRRX-KSZLIROESA-N 281.484 4.683 30 10 CJEE Cc1ccc(C(=O)C=Cc2c(F)cccc2Cl)cc1C 2294300337 IOKFXBGCSVXAOP-UHFFFAOYSA-N 288.749 4.992 30 10 CJEE C#CCCCCC[C@](CCC)(OCCCN)C(C)(C)C 2294436883 ULKHAZXTHNPNET-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)[C@H](C)C(C)(C)C 2295213497 CQVHDJFRIHYXRY-YOEHRIQHSA-N 291.866 4.742 30 10 CJEE CCCCCCSC[C@@](C#N)(CC1(C)CC1)NC(C)C 2295712377 WPGTXXSNOMGKRE-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE C=C(Cl)[C@H](O)CCCCc1cc(Cl)cc(Cl)c1 2302381617 XYGVRJFVYQHVLZ-CYBMUJFWSA-N 293.621 4.820 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)cc(Cl)c1 2304035159 JSTMTVMWWWPYLI-HUUCEWRRSA-N 251.801 4.641 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2CC[C@@H]1C2 2313168894 QXIDKDWVOUEMKM-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)ccc1C[C@@H](N)CC 2313530908 CLUVHRBTVVELAJ-RISCZKNCSA-N 283.868 4.677 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC1(F)F)NC 2313722861 PFTWVJHMMLIPOT-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C#CCCCCCCNCc1c(Cl)cccc1Cl 2316790208 GWYBVAUOPXPVFW-UHFFFAOYSA-N 284.230 4.667 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2319255302 KMNTVFSYLYIQFP-IINYFYTJSA-N 288.193 4.749 30 10 CJEE C[C@H]1C[C@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)CCS1 2320314555 KGBKAWIJOUVHRI-AYDFFVQHSA-N 268.466 4.550 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)ccc1C 2321108372 OYHYXCHNBBQPOK-HOTGVXAUSA-N 265.828 4.901 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(F)ccc(F)c1Cl 2321115999 GSBNSZDYMMVKJA-CQSZACIVSA-N 272.722 4.793 30 10 CJEE CC(C)(C)C#CC[C@H](N)c1cc(F)c(Cl)cc1Cl 2325186123 JDJRRMDFUPCNAZ-ZDUSSCGKSA-N 288.193 4.572 30 10 CJEE CC1=CCC[C@@H](Cc2cc(F)c(Cl)cc2Cl)C1=O 2325192207 DYRLLIGWVOLJAM-VIFPVBQESA-N 287.161 4.600 30 10 CJEE CCN(Cc1cccs1)C[C@](C)(CS)C(C)(C)C 2327101868 DJDJGRQQAOHJHB-OAHLLOKOSA-N 285.522 4.552 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC1CCCCCC1 2327165781 MOYCCFNOZOFTCN-INIZCTEOSA-N 272.498 4.956 30 10 CJEE C#CC(C)(C)C[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2327872338 HLSCDOTYNCSTTH-CYBMUJFWSA-N 284.230 4.612 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C#N)c(SC)c1 2328527505 IPTYZRJGNXKKNJ-CYBMUJFWSA-N 263.406 4.628 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1CC[C@H]1C(C)(C)C 2328528452 PMSAYANVMJVWDQ-SOUVJXGZSA-N 272.498 4.667 30 10 CJEE C=CCC(CC=C)SCC[C@H](NC)c1ccccc1 2335095978 IGFNLRGEDKERAQ-KRWDZBQOSA-N 275.461 4.591 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CC[C@H]1NCC)CC2 2335099116 RWEGGSKGKSOGEJ-CVEARBPZSA-N 279.493 4.551 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H](C)CC1CC1 2335196268 DLEOGMJILQEEAP-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC(C)(C)[C@H]1NCC 2335204743 WPOVIGUYRZKEQL-CVEARBPZSA-N 281.509 4.797 30 10 CJEE CCCN[C@@H](C#CC1CC1)c1cc2sc(C)cc2s1 2337422931 UOGXMRDVPDOSED-ZDUSSCGKSA-N 289.469 4.725 30 10 CJEE N#Cc1csc(CNc2cc(C3CC3)ccc2Cl)c1 2338126518 QTEDSQOWWKCWEJ-UHFFFAOYSA-N 288.803 4.763 30 10 CJEE C=CCC(CC=C)N1CCCC2(CCCCC2)CC1 2338736075 QVHSHVAZPZEADT-UHFFFAOYSA-N 261.453 4.944 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1ccc(Cl)c(F)c1 2339905332 OAKOKRVIWXNEHL-LLVKDONJSA-N 273.738 4.634 30 10 CJEE C=CC[C@H](C)[C@H](CC12CCC(CC1)CC2)NCCC 2344368188 AWDPZZAICNOPAD-NALMEZQBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(C(C)(C)F)n1 2344368848 JFXOPPSRTUTLOJ-DGCLKSJQSA-N 284.444 4.601 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1CC[C@@H]1C1CC1)NC 2344377533 DCAVSLOSGJKOGE-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccccc1C(F)(F)F 2344384928 NKMNUGROFWZKAD-ZIAGYGMSSA-N 271.326 4.698 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CC(C)(C)OC1(C)C 2344422450 YGCOOZIPJMAFHU-GUYCJALGSA-N 266.425 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC1(C(F)(F)F)CC1)NC 2344761115 VVIQFXRGRSDYHB-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE CC(C)C[C@@H](CS)CSc1nccc2ccccc12 2353846163 RXLDKQYNHANPHK-ZDUSSCGKSA-N 291.485 4.919 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccccc1O)C(=O)O 2353870206 SVLZDZWCOVHPFJ-MRXNPFEDSA-N 296.432 4.688 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1C[C@@H]2C[C@@H]2CO1 2355816637 MYWHKKHBHKCPNC-BSDSXHPESA-N 281.484 4.530 30 10 CJEE N#CCN(C1CCCCCC1)C(CC1CC1)CC1CC1 2360300061 DCPWXOUOEJVPIF-UHFFFAOYSA-N 274.452 4.504 30 10 CJEE CCSc1cccc(NCC[C@H]2CCC2(F)F)c1C#N 2360412931 YJSPGHILKZETKZ-LLVKDONJSA-N 296.386 4.518 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 3611763 LLSPXRMMNOLEGP-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CC(C)(C)c1ccccc1Oc1ccccc1C#N 22152821 WTQBLQXJLIRFON-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 37305226 WVBLKQRSWQDHFU-XHSDSOJGSA-N 286.394 4.777 30 10 CJEE COc1cccc(N[C@@]2(C#N)CCCC[C@H]2C(C)(C)C)c1 37937712 XEESIUFYSNBLEE-FUHWJXTLSA-N 286.419 4.606 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1cccc(Cl)c1 54185536 AVCZLXCSGHMNIM-BXUZGUMPSA-N 265.809 4.905 30 10 CJEE Cc1cccc(C)c1OCCC[C@@H](C#N)c1ccc(F)cc1 57685599 DKEMEGIHELJDQA-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCCc2ccccc2)c1 57695663 FHLXHEUPNCOTSM-SFHVURJKSA-N 263.384 4.934 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1COC 59422926 UTQLANHZXIYIFW-HNNXBMFYSA-N 263.425 4.994 30 10 CJEE CCCc1nccn1[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 70424534 AZSQJEJJUHROLL-BZUAXINKSA-N 287.451 4.753 30 10 CJEE COc1c(Cl)cc(Cl)cc1-c1cc(C#N)c(C)s1 77095351 QTQNRUVQLUOFEN-UHFFFAOYSA-N 298.194 4.911 30 10 CJEE C[C@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)CC1 86891546 GRCZSLKJRYBKLT-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CCC[C@H](CS)COc1c(Cl)cccc1Cl 87080687 XNVSQXVSKYHHMP-VIFPVBQESA-N 279.232 4.718 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CCC(=O)O)C1 88379089 JNWSCWQBINSZIS-QGZVFWFLSA-N 297.483 4.704 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2Cc3ccccc3S2)C1 92273547 FTSVFWYXJOXAGI-UKPHBRMFSA-N 271.429 4.814 30 10 CJEE C#CC[C@H](C)c1cc(Cl)cc(C(C)C)c1OCC 107632763 HWXMVDAPUINUFT-LBPRGKRZSA-N 264.796 4.989 30 10 CJEE CCOc1c(C)cc(Cl)c(C)c1[C@@H](C)CCS 107649693 LQEWSCCIOSRHHE-VIFPVBQESA-N 272.841 4.779 30 10 CJEE CCCCCCCCC[C@@]1(N)CCc2ccccc21 109704780 LSMQOKINLQHJMN-GOSISDBHSA-N 259.437 4.928 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C)cc1C(=O)OC 109782111 FSBIZIOCAPQMGM-HNNXBMFYSA-N 291.435 4.943 30 10 CJEE CCCCCCCO[C@@H](C)[C@@H](NC)c1ccc(CC)cc1 110081562 QXXPBMWGHXOYPV-QFBILLFUSA-N 291.479 4.885 30 10 CJEE Cc1cc(C)cc(N(C)c2cccc(Cl)c2C#N)c1 110257473 WBLZUQDOLVHPQL-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC(C)(C)CC1 115725876 ODEJKILUUORDAS-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCNCc1ccc(SCCCC(C)(C)C#N)cc1 124065543 URKDEJABSLICSQ-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE CCSc1cccc(N[C@H](C)c2cccs2)c1C#N 127001356 CLJGNGSDRRZGGH-LLVKDONJSA-N 288.441 4.905 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccc(C)nc1 143467787 JJVVGONBIYZVOV-KRWDZBQOSA-N 262.441 4.921 30 10 CJEE CCCCCCCC[C@@](C)(O)Cc1cccc(F)c1 158892111 UDGKXKAFGLBCQB-QGZVFWFLSA-N 266.400 4.870 30 10 CJEE Cc1cccc(CSCc2ccc(C#N)cc2Cl)c1 163431498 FFCFJQGTOIOPBE-UHFFFAOYSA-N 287.815 4.954 30 10 CJEE CCCCCCCCCC(=O)CC1CCOCC1 165115072 RQWAOUSXUFFPRU-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C(C)C 166840829 DFCGXCMTGYMONB-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE CCCCCCC[C@@H](Cc1ccncc1Cl)NCC 166943795 SSPNCKMYBXFRGK-HNNXBMFYSA-N 282.859 4.616 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](CC)[C@@H]2C)c1C#N 228888224 ZEOSTYZUOZORSL-KCQAQPDRSA-N 288.460 4.907 30 10 CJEE CCCCCCCC[C@H](NN)[C@]1(OCC)CCC[C@@H](C)C1 229914257 WRTMGDRLHKYVJU-SQNIBIBYSA-N 298.515 4.554 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](C)c1nccs1 231901361 URIOEWDFJYNUAH-UONOGXRCSA-N 268.470 4.585 30 10 CJEE CC(C)(C#N)CCCCSc1c(N)cccc1Cl 232523807 JZZLUVOPFYDTOG-UHFFFAOYSA-N 282.840 4.734 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(C)c(C)c1OC 232946049 ZKTUGUQIDMEECV-MRXNPFEDSA-N 263.425 4.672 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(F)c1F 235215855 OQLWSXZFRCLKHD-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1ccsc1[C@@H](C)Nc1ccc(C#N)cc1Cl 235239834 DYLNYXOIRWQPHW-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1CCCc2ccccc21 236403159 ZTYWAVOFVKOPGI-QGZVFWFLSA-N 268.400 4.956 30 10 CJEE O=C(C=C1CCCCC1)c1cccc2ccsc12 236405406 VVOPGDVQJCXWEI-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CCc1cc(CC)n([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)n1 250504847 IECIFWDLAXJLRU-GRDNDAEWSA-N 287.451 4.535 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@]1(C)CC 250830442 QPUKWYZOSDVDFW-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCC[C@H](CC)COc1cccc2c1CCCC2=NO 252677232 XBNVISWEUOTAER-AWEZNQCLSA-N 289.419 4.796 30 10 CJEE Cc1cc(CC(C)(C)C#N)cc(F)c1OCc1ccccc1 260474423 IKNSRWJXNYVZDS-UHFFFAOYSA-N 297.373 4.805 30 10 CJEE N#CC1(c2c(F)cccc2C(F)(F)F)CCCCC1 260488239 KGFKDCDUDRKXDW-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1CCCC(F)(F)C1 305946604 MNRJVPKVBDFRLU-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CCCCCCCOc1cccc(Cl)c1[C@H](C)N 310793219 BRGBLPIIECDGRV-LBPRGKRZSA-N 269.816 4.709 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C(C(C)C)C(C)C 311413324 ZTSADLAPJPYQKH-INIZCTEOSA-N 265.485 4.722 30 10 CJEE CCCCCCCCC[C@@H](N)CC1(COC)CCC1 311762701 FESDSIQUNMMVGR-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CCCC(F)(F)C1 380009628 GKRORTGQXAUBCH-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2c(Cl)cccc2Cl)O1 383787181 QJHFNQRWSQELPU-WCQYABFASA-N 270.159 4.517 30 10 CJEE CCCCCCCCC[C@@H](O)C(C)(C)OC(C)C 384100512 IFHBYWSWOVQIAY-OAHLLOKOSA-N 258.446 4.692 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C1(O)CCC(C(C)(C)C)CC1 385102846 BEMWJUGQRXJJRY-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE C=CC[C@H](CC)NCc1cc(-c2ccccc2)cs1 393739262 FQXIGZZBIRANBO-INIZCTEOSA-N 271.429 4.859 30 10 CJEE N#CCc1cc(C(F)F)c(Cl)c2sccc12 396200016 RLSQVJFYAAYUKQ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)C[C@@H](O)C1 401496711 LCNWSLORJGJTGM-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](O)C1(C#N)CCC(C)(C)CC1 401970709 ZFWALXNUZIBWFZ-OAGGEKHMSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2cccs2)o1 539273565 VVMQZUJQJCFBFB-JTQLQIEISA-N 280.418 4.635 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 553507311 OPTQSTATVSNGSR-SOLBZPMBSA-N 285.431 4.589 30 10 CJEE C=CCCCCCCNCC(C)(C)c1ccccc1 686667839 SQXLSPVKDJGKLF-UHFFFAOYSA-N 259.437 4.690 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2c(s1)CCCCC2 686690780 BBFRDAMSNRXSKV-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CC(C)(COc1cc(Cl)ccc1C#N)c1ccccc1 686731926 GQYUEBPGTSBTTQ-UHFFFAOYSA-N 285.774 4.568 30 10 CJEE Cc1ncsc1CCC1(C=O)CC(C)(C)CC(C)(C)C1 687980642 KJSQOAFVMJFAIT-UHFFFAOYSA-N 293.476 4.806 30 10 CJEE C[C@H]([C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1)C(C)(C)C 688342210 LTMJWRWEAXOEER-ZIAGYGMSSA-N 279.468 4.776 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@]12COC[C@@H]1C2 689168286 ZYTMWPIVPCTLRK-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1cccc(C)c1 691077611 OYPBGNBZFRAUCP-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE C[C@H]1CCCCC[C@@]1(C#N)Nc1ccc(Cl)cc1 691101984 KNNCCLDEYKMTTO-WFASDCNBSA-N 262.784 4.614 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)C[C@H](C#N)C1CCCCC1 691176384 DSPZUUXHOVJGDY-BPQIPLTHSA-N 276.468 4.607 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCC[C@@H]3C(C)C)C[C@@H](C1)C2 697334241 SZEQCVZOFCBDFE-YZYRWKSTSA-N 275.480 4.926 30 10 CJEE CCCCCCC[C@H](N)c1ccsc1Br 698662241 LOQIPUKCSNDQAR-NSHDSACASA-N 290.270 4.871 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCCOC1CCCCC1 699952681 WBWJLBFCWLODON-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCCN1C 700193218 MOTMXFLIDZRKHD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCN1C 700245349 QIAFIIFJCIWMPV-ROUUACIJSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCC[C@H](O)CC1(N)CCCCC1 702753548 APAWQBCGIGGWGN-KRWDZBQOSA-N 283.500 4.930 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1cccc(Br)c1 704908601 CGQKGHUPUIGHDL-BYCMXARLSA-N 292.220 4.883 30 10 CJEE Cc1ccccc1S[C@H](C#N)[C@@H]1CCCC[C@@H]1C 704930586 HTRGZWSZKYYUQT-JGGQBBKZSA-N 259.418 4.806 30 10 CJEE CCCCCCCCCOc1cccc(C)c1C(=O)O 706598303 JSEKNJXBGBDRKT-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 710667801 JPXUNKHSROZLPI-ZDUSSCGKSA-N 291.744 4.807 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1oc2ccc(F)cc2c1C 715704614 KKATZSYRGLGDOD-ZBEGNZNMSA-N 275.367 4.743 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 715719866 LJLRCICCFOOGKQ-JXFKEZNVSA-N 295.426 4.738 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc2c(s1)CCSC2 715832402 YPLRGVNLGRKZEJ-BLLLJJGKSA-N 295.517 4.790 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1cccc(CC#N)c1 719223277 DNZSERDNPHZQRC-MRXNPFEDSA-N 256.393 4.523 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(Cl)cc2F)CC1 724548824 HDJNNIMSLQMGRH-HNNXBMFYSA-N 267.775 4.615 30 10 CJEE C=C1CCC(CNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 1133543130 AAGKADWNUYVIEM-DOTOQJQBSA-N 291.479 4.702 30 10 CJEE C=CCCN[C@H](c1oc2ccccc2c1C)C(C)C 1168733553 LDADZNSJSDCWHG-INIZCTEOSA-N 257.377 4.604 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](CF)c1ccc(F)cc1 1183430544 YKUNYUSEARHOCO-WMLDXEAASA-N 281.390 4.951 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2ccccc2OC)cc1 1202183875 KKESINUHZMSHDE-SFHVURJKSA-N 295.426 4.807 30 10 CJEE C#CCOc1ccc(CNc2ccc(C)c(C)c2Cl)cc1 1202938261 FQIXXHDNECENHV-UHFFFAOYSA-N 299.801 4.581 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@H](c2ccc(F)cc2)C1 1205645879 SZFXVQCRNVRRAL-PKOBYXMFSA-N 287.422 4.635 30 10 CJEE C#CCCCC(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 1264266096 QQCVVXPZYCDPRY-UZLBHIALSA-N 299.458 4.817 30 10 CJEE C=CCCCC(=O)Oc1ccc(SC(F)(F)F)cc1 1271896794 XTHKTBCWVKUSDY-UHFFFAOYSA-N 290.306 4.560 30 10 CJEE C=CCCCNC(C)(c1ccccc1)c1ccccc1 1307628071 GBRLLEBEFDYIBJ-UHFFFAOYSA-N 265.400 4.506 30 10 CJEE C=CC(C)(C)CCCN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 1308927740 JWHCRSWBLDHLMX-HOTGVXAUSA-N 293.495 4.695 30 10 CJEE C=C1CCC(CN[C@H](CC)Cc2ccc(C)cc2)CC1 1308932199 WQBWWIGEEVWPRM-LJQANCHMSA-N 271.448 4.652 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc(C(C)(C)C)cc2)CCC1 1358440887 XXVKNBAJKVSHGM-UHFFFAOYSA-N 285.431 4.693 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CCCCC(C)C 1436687474 MSILYLXCNMUIPX-SFHVURJKSA-N 287.447 4.506 30 10 CJEE C=C(CC)CN[C@@H]1CC(C)(C)CCc2ccccc21 1460004901 KUJIDDFRNYGPIW-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@@H](C)c2ccccc2)CCCC1(C)C 1519871702 ZEGNRUGUHKMSKD-AEFFLSMTSA-N 299.458 4.774 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C1CCCCCCC1 1520346241 TUYPZNDMDDVYGA-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(C2CCC2)cc1 1524889865 CTPSRXXEMYHXLT-UHFFFAOYSA-N 269.388 4.661 30 10 CJEE C=CCCC1(CNC(=O)c2ccccc2Cl)CCCC1 1528533984 CYKSWDCWNZWZFR-UHFFFAOYSA-N 291.822 4.596 30 10 CJEE C=C[C@@H](CC(=O)Oc1cccc(C)c1C)c1ccccc1 1530846242 HHCPZOIIDOGPNE-INIZCTEOSA-N 280.367 4.569 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1CCCCCC1 1531086023 UWCRZOANOQWXRO-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CC1(CC(=O)O[C@@H](C)c2ccccc2F)CCCCC1 1537631889 VIOWKSOTDBTADU-AWEZNQCLSA-N 290.378 4.957 30 10 CJEE C=C(CC)COc1ccc(-c2ccccc2)cc1C=O 1559366556 BEKGIPCIBUTGOH-UHFFFAOYSA-N 266.340 4.511 30 10 CJEE C=CCCCCN[C@H](c1ccc(CC)cc1)C(C)C 1559629910 YXNVEOCUDPGMEQ-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C=CCC[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 1559694599 BYMCTEKVJPBJDR-SFHVURJKSA-N 287.353 4.762 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1Cl 1560795078 LWNMQHOGDFHFRM-NSHDSACASA-N 288.193 4.673 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCC1CCCC1 1586140154 PIHUNGABUAOSDV-DLBZAZTESA-N 277.452 4.598 30 10 CJEE C=C[C@H](C(=O)N1CCC[C@H](C(C)(C)C)CC1)c1ccccc1 1617432866 LDBCKFVRMVEPPO-ROUUACIJSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](NCCC(F)(F)F)c1ccccc1 1620543308 YSYMRHYMQOKWCR-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE C#CCN(C/C=C/c1cc(C)c(C)cc1C)C1CCCCC1 1621143475 FYZANVHZHJTSIX-MDZDMXLPSA-N 295.470 4.893 30 10 CJEE C#Cc1ccc(CN[C@@H]2CCC[C@H]2CCCCCC)cc1 1621345557 XBAILHHLQTZANL-WOJBJXKFSA-N 283.459 4.897 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1 1625197852 YZLUCCGSPWJFFO-WMZOPIPTSA-N 283.415 4.557 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(C)c(C)c1 1642963910 OFMCXYNBRYVCIZ-UHFFFAOYSA-N 279.427 4.882 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccccc1CC 1651208647 OGAKRSMJTUGLCY-FQEVSTJZSA-N 279.427 4.526 30 10 CJEE C=CCC[C@H](CCC)NCC[C@@]1(C)CC1(Cl)Cl 1652477994 KBPOBIOIFZLDOK-STQMWFEESA-N 278.267 4.685 30 10 CJEE C=CC[C@H]1CC[C@H](NCC[C@@H]2C[C@H]2Cc2ccccc2)C1 1657082069 LWNVTLXKPKYNEN-NBYUQASBSA-N 283.459 4.590 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(C)cc2F)CCCC1(C)C 1657931495 MJGHFFDDHQTTIR-KRWDZBQOSA-N 275.411 4.701 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCCCC23CCCC3)C1 1658169622 AVHGUXABWSCXPF-IKGGRYGDSA-N 261.453 4.824 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 1658399646 XKRYLOAIZFYHHK-SZMVWBNQSA-N 275.411 4.738 30 10 CJEE C#CC[C@@H]1CCCN([C@H](C)c2cccc3ccccc23)C1 1659142330 ICWAJHBCVJNGOZ-IAGOWNOFSA-N 277.411 4.636 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2nc(CC)sc2c1 1659528508 XQFXEVSXYBUHKH-LLVKDONJSA-N 260.406 4.625 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(Cl)c(OC)c1 1659618196 KFIDQACPRMOBEX-LLVKDONJSA-N 253.773 4.505 30 10 CJEE C#CCN(C[C@@H]1CCCC[C@@H]1CC)[C@H]1CCc2ccccc21 1663984988 UUVXTFNCELIAPI-CUWPLCDZSA-N 295.470 4.826 30 10 CJEE CCCCCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798862 YSILYBULIXFVNU-UHFFFAOYSA-N 264.218 4.583 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CC[C@H]1C1CC1 1876569981 LRIGVPVNRBZWLT-IRXDYDNUSA-N 283.525 4.767 30 10 CJEE CC(C)(C)c1ccc(C#N)c(SC2CCCCC2)n1 1876812297 ZMRZZJJWWPTKNI-UHFFFAOYSA-N 274.433 4.676 30 10 CJEE CC#CCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 1879658501 BJAVLLYKDSUVOQ-UHFFFAOYSA-N 288.696 4.735 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@]2(CC[C@@H](C)C2)CO1 1880890105 OMDQRESECCWIRG-BRWVUGGUSA-N 267.457 4.632 30 10 CJEE C=CCCN(CCC[C@@H]1C[C@@H]1C)Cc1ccccc1 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CCCCCCC[C@@](OCCCN)(C1CCC1)C1CC1 2294351047 JCUIEEMESCHXFQ-GOSISDBHSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCN)C1CC(C(C)(C)C)C1 2294353035 ZUMYLMIOPCLDTO-JCYILVPMSA-N 283.500 4.763 30 10 CJEE CC1(C)CCC[C@@H](C(=O)C#Cc2ccccc2Cl)CC1 2295155548 SLHBPJPHQMNIDJ-OAHLLOKOSA-N 288.818 4.867 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](N)CC1(C)C 2295514798 MUCBTSCRJAJRAO-IRXDYDNUSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@@H]1CCCCNC1 2295520461 RAHSOOHKCRFZQU-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CO)C1CCCC1 2295671131 MUVAYUVZXOEAGI-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@H]1CC[C@@H]1C 2295677794 DTKYGLWAYMOKNL-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NC)c1ccsc1 2295680155 WNBVRTCFCJUENC-DLBZAZTESA-N 297.508 4.900 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)s1 2298942481 LQAGIJGHXXRWRY-NSHDSACASA-N 269.479 4.693 30 10 CJEE C=CCC(CC=C)Nc1ccc(CC)cc1Br 2301047949 GVHLGKMQKBPFRJ-UHFFFAOYSA-N 294.236 4.944 30 10 CJEE C=CCC(CC=C)C[C@H](O)c1cccc(Cl)c1 2301049769 BRBDFIMGLLVCQF-HNNXBMFYSA-N 250.769 4.532 30 10 CJEE CC(C)n1cc(C=CC(=O)c2cc3ccccc3s2)cn1 2310467581 MUBVYFFXCAGKHU-UHFFFAOYSA-N 296.395 4.575 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@H]1CCC 2313216606 NWWBDIPDROBXPB-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CCC(CC=C)N[C@H]1C[C@H](C)Sc2sccc21 2313645625 RGYVTMXOKNEFFP-FZMZJTMJSA-N 279.474 4.784 30 10 CJEE C=CCC(CC=C)SC[C@@H](CS)c1ccccc1 2313670020 WZGAJPFHBBMJSQ-OAHLLOKOSA-N 278.486 4.954 30 10 CJEE C[C@H]1C[C@@H](C)[C@@H]1N(C)CCCCCCCCCS 2317047424 LEOCKWZADDARPX-ZSHCYNCHSA-N 271.514 4.623 30 10 CJEE C=C[C@H](C)CCNc1cc(Cl)nc2ccccc12 2321120949 OULOEFTXIQLKPL-NSHDSACASA-N 260.768 4.512 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@@H](C)C1)NCC 2321132524 ZJJSYFSOEMNTAJ-NCOADZHNSA-N 251.458 4.783 30 10 CJEE CC(C)(C)OCCCC1(C#N)CCCCCCC1 2321962503 CGXFYEHCSVRAHW-UHFFFAOYSA-N 251.414 4.836 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2332700803 QBGMAYGBNWXXSO-SPUZQDLCSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCNCC[C@H]1CCC[C@@H]2C[C@H]12 2333706622 RYXCEHLWZQESSH-KZNAEPCWSA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)O[C@@H](c1ccc(Cl)s1)[C@@H](N)CC 2335109416 SOGKQKMQFAIARY-SWLSCSKDSA-N 299.867 4.717 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CC(C)(C)CCC1(C)C 2337101575 KTWJAJKDRMJVMJ-OWCLPIDISA-N 263.469 4.926 30 10 CJEE CCCC[C@H](C)CC[C@@H](C#Cc1cccs1)NCC 2338250803 XJEFFCKFJQYSMX-HOTGVXAUSA-N 277.477 4.684 30 10 CJEE C=CCCCC[C@H](NC)c1cc(F)ccc1C(F)F 2338274768 OMMXFDXNNMPOBA-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)Nc1cccc(O[C@@H](C)CC)c1 2338727610 MJXAUZMAMLDEEG-AWEZNQCLSA-N 259.393 4.797 30 10 CJEE Cc1cc(OCCCC2=CCCCC2)ccc1C#N 2340983731 VKYJHJGNNABGJW-UHFFFAOYSA-N 255.361 4.526 30 10 CJEE C=CCCCCCCCCC[C@H](N)CCCCOC 2341097016 WCVWLPFQCWBWQQ-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccccc1C1CC1 2341677884 CMXYPZHXKGKJNZ-GOSISDBHSA-N 258.405 4.892 30 10 CJEE C#CCCCC[C@H](NCC)c1cccc(C(C)C)c1 2343617620 DCWJENGDBOBRRH-SFHVURJKSA-N 257.421 4.654 30 10 CJEE C=CCSc1ccccc1N[C@@H](CC1CC1)C1CC1 2343835186 CYEZYRICVFMHIB-INIZCTEOSA-N 273.445 4.955 30 10 CJEE C=CC[C@H](C)[C@@H](CC=Cc1ccccc1)NCCC 2344336510 JPMGNPBOWJQNMU-FUHWJXTLSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)c(C)c1F 2344357625 RKGKHTCRKUKRMK-DYVFJYSZSA-N 263.400 4.695 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1sccc1OC 2344373897 DKSXDIVYZXIHTP-JKSUJKDBSA-N 281.465 4.790 30 10 CJEE C=CCC(C)(C)C(=O)Cc1ccc2ccccc2c1 2344421858 VDDICIDFEKKCLW-UHFFFAOYSA-N 252.357 4.554 30 10 CJEE CC1(C)CC[C@H](CCNc2ccc(C#N)c(Cl)c2)C1 2344776081 ZCHZSELQGIEYNX-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C1CCC1 2360094380 FXQWQIRGLWYNAW-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1CCC 2360116122 DOPBWMRNRWAXPT-KZNAEPCWSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1[C@@H]2CCOC[C@@H]21 2360175232 BVBFQJVXHHYQQC-XSLAGTTESA-N 282.468 4.551 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@@H](NCCC)c1ccccc1F 2360200377 HFVSOOQEUJDFOL-JJRVBVJISA-N 295.467 4.953 30 10 CJEE C=CCC(CC=C)O[C@@H](c1ccc(Cl)cc1)[C@@H](N)CC 2360214089 DJKKEBHAOBYFTI-IRXDYDNUSA-N 293.838 4.656 30 10 CJEE CCCCCCCCc1ccc(C(=O)CCN(C)C)cc1 3108553 VUWOLCKJRHRNTA-UHFFFAOYSA-N 289.463 4.724 30 10 CJEE CCC(CC)CC[C@H](C)C[C@H](CC)OCCC#N 5819083 RDJHCPHGTDLKEZ-HOCLYGCPSA-N 253.430 4.938 30 10 CJEE CC1(C)CC(=O)C=C(/C=C/C=C/c2ccccc2)C1 34436011 IVKMMRMYVIJIDK-JMQWPVDRSA-N 252.357 4.572 30 10 CJEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1 36973367 RQNFNQIDXBRJBO-INIZCTEOSA-N 270.763 4.775 30 10 CJEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccccc2Cl)c(C)c1 44268486 AVPJHRUGNNUHPT-HNNXBMFYSA-N 297.785 4.755 30 10 CJEE Cc1ccccc1NC1(C#N)CCC(C(C)C)CC1 54557253 RWSSTNBPPDSNRA-UHFFFAOYSA-N 256.393 4.516 30 10 CJEE COc1cccc([C@H](C#N)CCCCOc2ccccc2)c1 57693574 GYTPXTQIYCANML-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Cc2ccc(Cl)cc2)c1 57723848 FLUKITAJPXEWJA-OAHLLOKOSA-N 269.775 4.807 30 10 CJEE CCCCCCCOc1c(CNC(C)C)cccc1OC 59272117 VOIKAJGHXOZDHE-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE CC(=O)c1ccc(N(CCC#N)c2ccccc2)c(Cl)c1 61693608 YADOADYXCNNEBO-UHFFFAOYSA-N 298.773 4.594 30 10 CJEE C=CCc1cc(C(=O)CC)ccc1OCc1ccccc1 66118043 LRBXPFMTTSFKNF-UHFFFAOYSA-N 280.367 4.587 30 10 CJEE CC[C@H]1CCCC[C@@]1(C#N)Nc1cccc(Cl)c1 71162366 WDABPKPTVKOEEO-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CCSc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086434 PHCADGMFFSFZSD-UHFFFAOYSA-N 297.301 4.949 30 10 CJEE CCC(CC)c1nc(C(C)(C)C)c(CS)s1 82440306 IPOOXCGAAOAYDQ-UHFFFAOYSA-N 257.468 4.774 30 10 CJEE C=C(C)C[C@@H](CSc1ccc(Cl)cc1)NCCC 92130047 UNMJKJTWPWESHV-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1cccc(OCCCC#N)c1 94278591 NFVGSHOZMGCZFV-KRWDZBQOSA-N 286.419 4.750 30 10 CJEE CCCc1ccc(OCC2(CS)CCCCC2)cc1 94585123 GUHJFNXXKOOQSG-UHFFFAOYSA-N 278.461 4.898 30 10 CJEE C=C(CC)CNc1ccccc1Oc1ccccc1 97191698 DTUSWEVVGPDRHL-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE CCCCCCCc1nc(C2CC2)n(C(C)(C)C)c1N 106837338 GUUZDAJBMUAAAH-UHFFFAOYSA-N 277.456 4.611 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)c3cc(O)c(O)c(C)c3CC[C@H]2C1 106886859 MKKOUGDVRDZEMO-BKTGTZMESA-N 286.415 4.603 30 10 CJEE biogenic CC(C)COc1ccc(CCCC#N)cc1OCC(C)C 107492299 DHHWUWAMYXQWMF-UHFFFAOYSA-N 289.419 4.602 30 10 CJEE Cc1ccc(Nc2cc(Cl)ccc2C#N)c(C)c1 110252794 VTSKIYFSJVTGHI-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)cc(OC)cc1F 115856993 QPFDHQKKMCZYFL-HNNXBMFYSA-N 285.378 4.724 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1cccc(OC)c1 115858103 MWQHHAQYCMECAQ-KRWDZBQOSA-N 287.403 4.622 30 10 CJEE CCCCCCCCC[C@@]1(CN)COc2ccccc2C1 116254412 VMIFCDWUFKSPDA-LJQANCHMSA-N 289.463 4.707 30 10 CJEE CCCCCCCCCCn1ccc(CNC2CC2)c1 117592425 MATGYLNXCUQFIF-UHFFFAOYSA-N 276.468 4.881 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](C)c1ccncc1 117684013 OMPYNYGFYRTOSQ-SJLPKXTDSA-N 276.468 4.914 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CC[C@H](CC)C1 126818813 WHRPFVLKOPEFFE-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCn1nc(CC)c(C(C)=O)c1CC 127162797 FAAPOFMWUISHBN-UHFFFAOYSA-N 278.440 4.571 30 10 CJEE C[C@H]1C[C@@H]1c1ccc(CNc2cc(C#N)ccc2Cl)o1 127764354 LSFBKRZEHIAXMA-GWCFXTLKSA-N 286.762 4.540 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 128039039 ZQOMJPQHYOYXDA-VHSXEESVSA-N 258.192 4.609 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@H](NC)CCC2 128531390 FWWDAEYPHKQPEL-GOSISDBHSA-N 276.468 4.836 30 10 CJEE CCCCCCNc1ccc(C(F)(F)F)c(C#N)c1 128765842 RWUXNOKHOIMGNS-UHFFFAOYSA-N 270.298 4.569 30 10 CJEE CSc1cccc(N[C@H](C)CCc2ccccc2)c1C#N 130540997 VVEOYASPMZMAKP-CQSZACIVSA-N 296.439 4.713 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)CCC)NN 131144551 DBCSXYMSIMIKEV-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCCCc1cc(CO)on1 140073459 CHIUIWQJXDAZBR-UHFFFAOYSA-N 267.413 4.630 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@@H]1C 157950957 SXGOVCQLUVTVNO-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(F)c(OC)c1 158097910 QOYGNRBNWZYATI-INIZCTEOSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](OCC)C1CC1 158239665 LRPPZRJRYLBPSM-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCc1nc2cc(O)ccc2[nH]1 161205367 YEOUICBUAFEFOJ-UHFFFAOYSA-N 260.381 4.562 30 10 CJEE CC1CCC(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 163999509 ZLWQGIUENBOJLD-UHFFFAOYSA-N 296.336 4.815 30 10 CJEE CCCCCCCCCCC(=O)CC[C@@H]1CCCNC1 168375371 CTVLEZLWODHEMC-KRWDZBQOSA-N 281.484 4.866 30 10 CJEE CCCCCCCCNc1ccc(N)c(OC(C)C)c1 213554185 SLUZMCVLTOSRHS-UHFFFAOYSA-N 278.440 4.828 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C2CCC(C)(C)CC2)C1 228405006 MWJOXRUDTHJBOM-VYDXJSESSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 228995733 URNOHXZFDCHCHO-WCIQWLHISA-N 285.475 4.911 30 10 CJEE CC(C)C[C@H](C)Oc1ccc(C#N)c2ccccc12 232610938 OMLVWNJANFYZKV-ZDUSSCGKSA-N 253.345 4.525 30 10 CJEE CCCCCCCCCc1nccnc1NCCC 232960453 MJURMUFTSOZAOM-UHFFFAOYSA-N 263.429 4.592 30 10 CJEE C=CCCCCCNc1cc(OC)ccc1Cl 234859996 NSLVKHUTIFIUCI-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE COc1cc(Cl)c(C)cc1NCCCCC(C)(C)C#N 234907574 IPZHPZFGNBTNKS-UHFFFAOYSA-N 294.826 4.789 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(C(F)(F)F)c1F 236316029 USSNPRBJPGXYJD-CYBMUJFWSA-N 289.316 4.981 30 10 CJEE C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 248713461 BOTFFOITBCNPDI-KHYOSLBOSA-N 278.399 4.573 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)[C@H]1C[C@H](C)CC[C@@H]1C#N 251701425 BGBQYVZYSZVWJX-OEUWWYETSA-N 290.838 4.661 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NC 252902925 NNTWLMNTIZROCK-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE CC1(C)OB(/C=C2/CCCC[C@H]2c2ccccc2)OC1(C)C 307565440 FKBMBJQLTFYPLM-WAIALKQBSA-N 298.235 4.902 30 10 CJEE CCCCCCC[C@@H]1CC[C@](C)(CNCC(C)C)O1 312072132 OGLIFRIFYDIGFS-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCC[C@@H]1CC[C@H](CNCC)[C@H](CC#CC(C)(C)C)C1 312205940 KOLWWNZYQIWMEP-KZNAEPCWSA-N 277.496 4.868 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCCCC23CCCC3)c1 313062335 ISWQWBNRSBQPFO-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE C=CCCCCCCNc1ccc(N)c(OC(C)C)c1 380553399 YARHFYSFQHDDIY-UHFFFAOYSA-N 276.424 4.604 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H](C)C1(C)CC1 385518907 TZIYVONINQVBAX-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CC1(CC/N=C2/N[C@@H](C3CCCCC3)CS2)CCCC1 386136166 PPLDIJXRCIRKJI-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCC[C@@H]1C(C)(C)C 386213498 NEUPVDPRSOEXCU-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE CCC(=NO)c1ccccc1OCc1csc(Cl)c1 393513356 BTKPAJKIHBPLOU-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE CC1(C)CCC(C#N)([C@@H]2C[C@H]2c2ccccc2)CC1 394050404 ZTCGEWBORVEFMQ-JKSUJKDBSA-N 253.389 4.900 30 10 CJEE CCCCCCCC[C@@H](NCC)C(C)(C)OC(C)C 394905608 JEUIPYMMLXAQMR-MRXNPFEDSA-N 271.489 4.919 30 10 CJEE CCC(CC)(CC)[C@H](C#N)Nc1ccc(Cl)cc1 395132762 SGHCWGOJDQHFHE-AWEZNQCLSA-N 264.800 4.860 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)C1CCC(C)(C)CC1 395872515 CPGCIFKQSUYCCL-KRWDZBQOSA-N 281.484 4.552 30 10 CJEE C=C(C)CNc1ccc2ccccc2c1Br 396948745 XRXZJQDLCGGRLH-UHFFFAOYSA-N 276.177 4.590 30 10 CJEE CC(C)c1ccccc1NC[C@@H](C#N)C1CCCC1 397304301 RDJWWLRKYOHBDN-OAHLLOKOSA-N 256.393 4.552 30 10 CJEE C[C@@H]1Cc2c([nH]c3ccc(C(C)(C)C)cc23)[C@H](C#N)C1 527397123 RXIZGLOCDHKMCF-RYUDHWBXSA-N 266.388 4.655 30 10 CJEE C[C@@H](NCC(C)(C)CCC#N)c1cc(Cl)cc(Cl)c1 588231651 NVTBEXXDIVTIBL-LLVKDONJSA-N 299.245 4.974 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(C)cc(C)c1 686690037 OLQVUMYYNIVVCR-GOSISDBHSA-N 257.421 4.538 30 10 CJEE CC1(C)CCC[C@H](/N=C2/NC3(CCCCC3)CCS2)C1 687320011 RDUUUBIDLUSNJF-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCCCOCCC1(C=O)CC(C)(C)CC(C)(C)C1 687970944 ATQQLZGJCBHGFB-UHFFFAOYSA-N 268.441 4.615 30 10 CJEE CCCCCCCC[C@@H](CCCC1CCC1)NN 688857738 WISYQHRCERPHPK-INIZCTEOSA-N 254.462 4.539 30 10 CJEE C=CCC[C@H](C)Nc1cccc(SC(F)F)c1 690179757 KVFHIQFRVSZMQJ-JTQLQIEISA-N 257.349 4.768 30 10 CJEE C=CCC1(Nc2ccc(C(F)F)cc2N)CCCC1 690742192 PRDFQKIATSVIGL-UHFFFAOYSA-N 266.335 4.507 30 10 CJEE C=CC[C@@H](CNCCC)CC(C)(C)C(F)(F)CC 691019110 GPBFQMDQMAEWQI-CYBMUJFWSA-N 261.400 4.640 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCOC1(C)C 693325000 KDTRGZWVGJWLIX-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCN[C@H]1CCN(C(C)(C)C)C1 693851265 FWLYGIHQAJPJQW-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H]1C[C@H](COC)CC1=O 698730656 PLYCEZUCZSRFMG-HOTGVXAUSA-N 268.441 4.759 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CCCOC2CCCCC2)C1 699952772 XNKIEMXYMYPPJL-WBVHZDCISA-N 266.425 4.511 30 10 CJEE C=CC(C)(C)CCNCc1ccc(Cl)c2cccnc12 701920946 VBFDWKMTAPQYGW-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CCC)C1CCCC1 704006584 VDNLPMFCWXDEHF-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@H](NN)c1cscc1Cl 710339298 WGVXSQNHIZLCNX-CYBMUJFWSA-N 274.861 4.657 30 10 CJEE SCCCCCCCCCN1CCc2ccsc2C1 711834356 GCGQSGPAAQWTGW-UHFFFAOYSA-N 297.533 4.767 30 10 CJEE CCCCCCCCC[C@@]1(O)CCC[C@@H](NCCC)C1 712775365 WDRXIRFWJTURLC-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)C1(CNCCC)CCC(C)(C)CC1 715811710 DGNAZYLCOXMVLM-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@H](C)CC2CCCCC2)N1 716891780 MEDZZNNUDCBGRW-VNHYZAJKSA-N 282.497 4.595 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NCC 717020417 AMUMUMUTCQSHNM-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@H](C)CC(C)(C)C)C[C@@H](C)O1 724237881 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CCCCCCCCCC[C@H](NCC)[C@H]1CC[C@@H]1OC 2236143182 OHUCOASNAUWJGY-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1C[C@H]2CSC[C@H](C1)C2 2236720322 PMCJQLZMFYYCAI-MUQADHOPSA-N 295.536 4.736 30 10 CJEE CCCCCCCCCOc1nc([C@H](C)NCC)cs1 2239538527 RZWGTHHUZOWZPR-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CC(CC)CC 2239559690 SUYJMRNZILUTBK-SFHVURJKSA-N 291.866 4.886 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)CC1=CCCCC1 2239563157 QKMUDEVGDVHODU-SFHVURJKSA-N 287.834 4.560 30 10 CJEE CCCCCCCC[C@](C)(O)c1nc2c(s1)CCCC2 2240618297 QIDGRMDNLYKTGZ-KRWDZBQOSA-N 295.492 4.980 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)C(C)(CC)CC 2240667709 YSSYNSCAGWQKEM-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE C=C(C)CC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2247269910 KIFKQKPFZZRZDM-OAHLLOKOSA-N 297.236 4.962 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(C)c(C)s1 2250184249 YJZDATLGEWXJLW-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE Fc1ccc(SCCCCCCCS)c(F)c1 2252647232 MADSQVSNQGCKCK-UHFFFAOYSA-N 276.417 4.937 30 10 CJEE 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284.186 4.606 30 10 CJEE Cc1cc(OCC[C@H](C#N)c2ccccc2)ccc1Cl 57684687 CVPVFGBVGASHAF-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2cccc(C#N)c2)cc1 57744097 JYTNODTXAXCRHB-IBGZPJMESA-N 274.367 4.532 30 10 CJEE CCSc1ccc(C(=O)/C=C/c2ccccc2OC)cc1 83192746 DHIGLMPLYABSGU-JLHYYAGUSA-N 298.407 4.703 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897417 BMDMDTGUFAIRDG-GXTWGEPZSA-N 276.811 4.982 30 10 CJEE CCC[C@H](CS)COc1cccc(Cl)c1Cl 87080210 ZJKRJUOPOQHOCX-VIFPVBQESA-N 279.232 4.718 30 10 CJEE C[C@H](CCS)CCOc1c(Cl)cccc1Cl 87080690 YSQJMKSXYBFYFB-VIFPVBQESA-N 279.232 4.718 30 10 CJEE C[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1Cl 87590997 GBYPXCMGYOFBEG-SNVBAGLBSA-N 285.218 4.584 30 10 CJEE CCC(CC)n1ccc(C[C@]2(C#N)CC[C@@H](CC)C2)n1 87996619 VEOYTQFAJVJGAB-PBHICJAKSA-N 273.424 4.507 30 10 CJEE Cc1cccc(Cl)c1N[C@@H](CC#N)c1ccccc1 90531255 TXLOAWWHHUXIFK-HNNXBMFYSA-N 270.763 4.715 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCC[C@H]1O 91323654 XKSBPQGIFRKKCO-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCCC[C@@H](CC)[C@@H](O)C#Cc1cccc2ccccc12 95633212 SXRWLOVZLILALC-UZLBHIALSA-N 280.411 4.769 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1CCCc2sccc21 97284049 UILWIBJIDZIXFI-GOEBONIOSA-N 277.477 4.893 30 10 CJEE C=CCCCOCc1ccc([C@H](C)CNCC(C)C)cc1 97811231 QPMYIPURKUDRNB-QGZVFWFLSA-N 289.463 4.519 30 10 CJEE CCN(CC)c1ccc(/C=N/c2ccc(Cl)cc2)cc1 100033930 ZCMZVCNJFOLFBW-CPNJWEJPSA-N 286.806 4.937 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(C)cc1)C(=O)O 102949702 SJISFHZJYISPTD-INIZCTEOSA-N 262.393 4.599 30 10 CJEE CCCCCCCCC[C@H](CCC)CNCCOC 104006311 WHJZUBJQXKQQAX-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE CCCCCCCCCCCCNCCCCOC 104010269 GIUQECYKNMTQEU-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(C#N)c1 105715183 XQDJCRYFTKWJOD-UHFFFAOYSA-N 272.392 4.637 30 10 CJEE CCC#CC[C@@H](C)c1cc(C(F)(F)F)ccc1OC 107474187 BBTYDNAREOQLHU-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CC#CCCc1ccc(OCCC)c(C(C)(C)C)c1 107592459 KIXRMCFZTLILNH-UHFFFAOYSA-N 258.405 4.729 30 10 CJEE CCCCCCCCCNCCc1cc(F)cc(F)c1 110169220 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4.657 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H](C)OC)NCC 139440224 RYTBGKIDMFCVQP-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](CC1CCSCC1)NC 140337151 WAYALJBJXDCIOH-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCCCO[C@](C)(CC)C(=O)O 146484740 CQVPUFLMMVYMSI-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE C=CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 156094765 FJJHCEWKGOKERH-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)C)CC[C@H]1CNCC 156178073 VMKQQNOWMZYUDV-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE N#C[C@H](C(=O)c1cc2sccc2s1)c1cccs1 156374256 MJDDXDFYWZIJHS-QMMMGPOBSA-N 289.406 4.514 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](CCC)OC 158221473 KZAWNEBDNNGUQC-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C#Cc1cccc(N[C@H]2CC[C@H](C)c3ccccc32)c1 163658562 LCRPZZFKYXRHDN-LIRRHRJNSA-N 261.368 4.718 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1ccnn1C 165818827 KHGFNBWMLYIIFK-INIZCTEOSA-N 279.472 4.602 30 10 CJEE C=CCC[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccccc1 183347221 MNJVMJIRJWXWKM-YOEHRIQHSA-N 296.439 4.978 30 10 CJEE CCCCCCCCCCNN1[C@@H](C)CCC[C@@H]1C 215039853 CEXSURLPQCCXCL-IRXDYDNUSA-N 268.489 4.895 30 10 CJEE C=C[C@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 229321370 GVFVATABAJUXFH-TVQRCGJNSA-N 258.192 4.609 30 10 CJEE CC[C@H](C)c1ccc(OCC2(CS)CCC2)cc1 232360753 IBNRCGPCBOGJJH-ZDUSSCGKSA-N 264.434 4.679 30 10 CJEE CCCCCCCCCCOc1ccc(F)cc1CN 232935452 XADPHCWKBANARO-UHFFFAOYSA-N 281.415 4.804 30 10 CJEE CCCCCCC[C@@H](CC1(OC)CCC1)NCCC 232936116 PUMNOHANQOGSFU-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(C)cc2C#N)cc1 234157563 QMMSDZHNDMAMHS-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Br)ccc1C 235772957 FYEATPJPSACGHY-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@H]1CCCC1=O 250799719 CEMJZUVFIPKVQF-IAGOWNOFSA-N 279.468 4.571 30 10 CJEE CC[C@@H]1O[C@H]1C[C@H](C)c1cc(Cl)ccc1Cl 251623895 LRSJWNWHPFGHEV-HJIKLVIJSA-N 259.176 4.664 30 10 CJEE N#Cc1c(Cl)cccc1Oc1nc2ccccc2s1 301420412 DPOJDVJRPIUFKJ-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCCCCCCSc1cc(N)ccc1OC 313581356 KLCVHEKICDJGNB-UHFFFAOYSA-N 267.438 4.730 30 10 CJEE COCC1(CC2(C=O)CCC(C(C)(C)C)CC2)CCC1 316814222 JMZFGVKAARFDAD-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCC[C@@H]2C)c(Cl)c1 316835525 SHDVQNLYQWOCFE-BBRMVZONSA-N 264.796 4.586 30 10 CJEE O=CC1([C@H]2C[C@@H]2c2ccccc2)CCCCCCC1 316975001 IWXILMUXWQATGI-SJORKVTESA-N 256.389 4.720 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 317173179 IMGMHTMLLXSYKB-HNAYVOBHSA-N 272.432 4.922 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCC(F)(F)C2)CC1 317926676 UNCHEQYQFBGVGP-LBPRGKRZSA-N 258.352 4.597 30 10 CJEE CCC[C@](C#N)(Nc1cccc(Cl)c1)C1CCC1 322480927 TXVIGMRZPIIHAQ-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCCCCCCCOc1cccc(C=O)c1Cl 328263211 VMSGGNPGUIPYRY-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE CCNC[C@@H]1CC[C@H](C(C)C)C[C@H]1CC#CC(C)(C)C 379871620 DTUMTQBUBXIJDW-KSZLIROESA-N 277.496 4.724 30 10 CJEE CC(C)(C)C(=O)/C=C\c1cccc(OCc2ccccc2)c1 382084664 WZVZRDRAXQHAQZ-SEYXRHQNSA-N 294.394 4.894 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCC2(CCCCC2)O1 384885839 SBCGNHDQZGBWEO-IKGGRYGDSA-N 275.436 4.978 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@H](C(C)(C)C)CCS1 391310063 INIMAZGUUACGQA-ZDUSSCGKSA-N 284.513 4.556 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCCC2)c(Cl)cc1F 397389066 XOZHYEGNSIJMJW-LBPRGKRZSA-N 280.774 4.529 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1ccc(Cl)c(Cl)c1 397622947 JMAOHUAEJBYAAM-SECBINFHSA-N 271.191 4.591 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC2CCC2)CC1 398861387 RXZCAMRIUZGGDV-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCc2ncc(C)cc2C)C1 401056167 RUUADBWJBDANCS-AEFFLSMTSA-N 270.420 4.741 30 10 CJEE C=CCCCCC[C@H](N)c1cscc1Br 404870276 XPMITVQXBZGRGQ-LBPRGKRZSA-N 288.254 4.647 30 10 CJEE C[C@](C#N)(Cc1ccc(Cl)cc1F)c1ccccc1 405709887 RBEYRLYYQACGCJ-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1cccc(Cl)c1 410376489 WCCJHZOSRMUELP-UHFFFAOYSA-N 299.801 4.640 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F 466424864 HMOGKTADIAXRTQ-LRDDRELGSA-N 295.373 4.525 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(F)cc1C 686692018 YAZQWBDRSKUWJN-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCC(C)C 686696179 WJUKYRKYMBDUMN-QRVBRYPASA-N 277.496 4.868 30 10 CJEE CC(C)CC1(C/N=C2/NC3(CCCCC3)CCS2)CC1 687318299 CAGGIFJAOAHHTK-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1/N=C1/NC2(CCCC2)CCS1 687320147 TUFSACBOCDWHCK-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 692253238 QEFKKGYVAYKRDJ-WCQYABFASA-N 294.782 4.795 30 10 CJEE C[C@@H](CC1CCCCC1)/N=C1/NC2(CCCCC2)CS1 694635054 KJTFSZXMOIDDQT-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCC1(CC)CN/C(=N/CC2C[C@@H](C)C[C@@H](C)C2)SC1 695337981 ZRMCHLUKHLHNPU-YIONKMFJSA-N 296.524 4.558 30 10 CJEE CC(C)c1nc([C@H](C#N)Nc2ccccc2Cl)cs1 696440487 BWVOLHHFJHNSMI-LBPRGKRZSA-N 291.807 4.597 30 10 CJEE CCC1CCC(C=O)(CC(C)(C)C(C)(F)F)CC1 697073427 CSQMDSWCRRMJOI-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCCCC[C@H]1C#N 703747399 BUUIMWPXQVMQAV-CWQOZTLDSA-N 276.468 4.509 30 10 CJEE Cc1cc(C#N)ccc1COc1cccc2sccc12 705126205 HKQGWMURVNXNBX-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2c(F)cc(F)cc21 709422188 MTPYLCVVRJFVAF-UHFFFAOYSA-N 296.386 4.596 30 10 CJEE C=CC[C@@H](C)[C@H](CSc1ccccc1C)NCCC 715717994 FFTHVLQAVILUAB-ZBFHGGJFSA-N 277.477 4.668 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1F 715799799 PUMIWNIPJZZMKP-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1cncs1)c1ccccc1 883326692 JJBHLNNMQJVKRI-GOEBONIOSA-N 286.444 4.891 30 10 CJEE Oc1cc(Cl)ccc1N=Cc1cccn1-c1ccccc1 1084323742 WSBNFVUPPVYMKI-UHFFFAOYSA-N 296.757 4.587 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C\c1ccc(C)cc1 1131105067 APXJYGALQHEUJU-ZHQMRIERSA-N 297.442 4.649 30 10 CJEE C=C(CC)C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 1142510952 QBCFGKHUPWMHFI-HNNXBMFYSA-N 299.439 4.804 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2ccccc2F)C(C)C)C1 1182796270 SVDDZMULNURCRW-VKJFTORMSA-N 275.411 4.857 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCCC[C@H]2C2CCCCC2)CC1 1183641603 DCCFAMCUVPQFLQ-FRYIKTPZSA-N 287.491 4.907 30 10 CJEE C=CCCCN(CC)Cc1cccc2c(OC)cccc12 1184187134 BZMPMEMFIUBHII-UHFFFAOYSA-N 283.415 4.637 30 10 CJEE C=C[C@H](OC(=O)[C@H]1C[C@@H]1c1sccc1C)c1ccccc1 1437639207 KZMHLOYHSASGOP-JYJNAYRXSA-N 298.407 4.631 30 10 CJEE C=C(CC)CN[C@@H](COCc1ccccc1)c1ccccc1 1459886362 WPJIDGMGHIVPED-FQEVSTJZSA-N 295.426 4.500 30 10 CJEE C#CCC1(NCc2ccc(C(C)C)cc2)CCCCC1 1461788795 WVXKAEOLBQDYDC-UHFFFAOYSA-N 269.432 4.626 30 10 CJEE C#Cc1ccc(NC/C=C/c2cc(C)c(C)cc2C)cc1 1474293364 SRVMLHSQFIIYNP-VOTSOKGWSA-N 275.395 4.718 30 10 CJEE C=CC(C)(C)CCNC1CC(Sc2ccccc2)C1 1474642178 MYRDXKFFVJZYOJ-UHFFFAOYSA-N 275.461 4.502 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCSC(C)(C)C1 1474725267 AXIHDXJBCXETFP-HUUCEWRRSA-N 269.498 4.775 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1ccsc1)c1ccccc1 1520032917 REVIVTXCSFUZOT-HNNXBMFYSA-N 299.439 4.884 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 1525340038 COIOYYDYIRZBSK-IBGZPJMESA-N 285.431 4.781 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccc(Cl)cc1)C(C)C 1525855450 RJGUDTUQQUBWDM-ZDUSSCGKSA-N 279.811 4.684 30 10 CJEE C=CC1(CC(=O)Nc2scnc2C(C)C)CCCCC1 1525883809 HILKVZPGKZIJCE-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C=CCC1(NC(=O)[C@@H](CC)c2ccccc2)CCCCC1 1544863223 SHDNXDTWUKCIDW-KRWDZBQOSA-N 285.431 4.575 30 10 CJEE C#CCCCCCCN[C@H](C)c1oc2ccccc2c1C 1559723925 KNXRHZPVWDYACU-MRXNPFEDSA-N 283.415 4.976 30 10 CJEE C=C(C)COc1cccc(NCc2cc(F)ccc2F)c1 1560382247 OXNGLMJBSLRNMZ-UHFFFAOYSA-N 289.325 4.532 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)c1nccn1-c1ccccc1 1560867795 OGJNUCHWLSAGRG-IRXDYDNUSA-N 297.446 4.658 30 10 CJEE C=CCC[C@H](NC(=O)/C=C(/C)CCC)c1ccccc1 1583036132 BYWHJQOJADCQMQ-XUZQSEFNSA-N 271.404 4.557 30 10 CJEE C=CCCC[C@H](C(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1587286397 BFCOQPNMWGKSTL-KRWDZBQOSA-N 299.458 4.774 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(SC)ccc1Cl 1617412747 MKHGOOIBBYOQFS-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(C)cccc2o1 1617466785 VHHSWDDMYAUTEJ-GDBMZVCRSA-N 297.398 4.606 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)nc2ccccc12 1620414575 DAQSEGGUGBTZTD-QFBILLFUSA-N 294.442 4.768 30 10 CJEE C=CC[C@@H](C)N1CC=C(c2ccc(Cl)cc2C)CC1 1620477108 PKSSQRTULOEOOE-CQSZACIVSA-N 275.823 4.702 30 10 CJEE C=CCC[C@H]1CCCN1CCO[C@@H](CC)c1ccccc1 1620642255 NIUNYOMGRBQSOR-OALUTQOASA-N 287.447 4.585 30 10 CJEE C=CCCCNCc1ccc(-c2ccccc2F)s1 1620924159 KIRFFUVKPQSAJV-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE C=CCC1(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CCCCC1 1641642903 PCDMQCZGWAHMFD-MRXNPFEDSA-N 289.463 4.550 30 10 CJEE C=C[C@H]1CCCCN1Cc1c(Cl)oc2ccccc12 1642926166 CTTCKONGEQRSTB-LBPRGKRZSA-N 275.779 4.627 30 10 CJEE C=CC[C@@H]1N(Cc2ccc3cc[nH]c3c2)CCCC1(C)C 1654318621 ZPPVLAORCMCOFE-SFHVURJKSA-N 282.431 4.735 30 10 CJEE C=C(C)CNCc1ccc(-c2ccccc2Cl)s1 1656238292 HROMZCXYLRXPGC-UHFFFAOYSA-N 277.820 4.734 30 10 CJEE C=CCCC(C)(C)CNCc1cnc(C2CCCC2)s1 1657790969 MDPDWOHQCWXMGX-UHFFFAOYSA-N 292.492 4.883 30 10 CJEE C=CCC[C@@H](CCC)Nc1cnn([C@H](C)CC)c1C 1657972281 KHQFYZAPZLTXKJ-UKRRQHHQSA-N 263.429 4.709 30 10 CJEE C=CCCCCCCCCNC1CCC(C)(C#N)CC1 1658055921 AUFNZUOPBYYCTM-UHFFFAOYSA-N 276.468 4.965 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H](SC)C(C)(C)C 1658839450 FBDQCHYBPICAOX-GJZGRUSLSA-N 271.514 4.879 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)c1cc(Cl)cc2c1OCC2 1658965909 DQTURWVKJTWUFV-IUODEOHRSA-N 293.838 4.670 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CC(c2ccc(F)cc2)C1 1659642252 WZDYOJIQXXFXPL-GSHBMFQSSA-N 287.422 4.796 30 10 CJEE C=CCN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 1664385071 WGXBIGVFTZKSSS-UHFFFAOYSA-N 295.304 4.583 30 10 CJEE N#CCc1ncc(-c2cc(Cl)cc(Cl)c2)cc1Cl 1848375600 HHIMWLFASIJXNF-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE N#CCc1ncc(-c2cc(Cl)ccc2Cl)cc1Cl 1848377992 KBIAUDZJCNMFJR-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCN(C(=O)CCCCCC)[C@@H]1CCCC[C@@H]1C 1860025581 GEVWIJDIGZTOSQ-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE CCCCC[C@H](CC)NCc1ccc(C#N)cc1Cl 1879160463 XQNUNODOMHZBFD-HNNXBMFYSA-N 278.827 4.660 30 10 CJEE CCCCCCCC[C@H](N)[C@](O)(CC)CCCCC 1879217579 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2282939253 AULBMQBGXKKLEL-INIZCTEOSA-N 275.436 4.537 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(N)c(C)c1C 2283470830 CZEGBGMTEWWYOT-GOSISDBHSA-N 275.436 4.836 30 10 CJEE CCCN[C@H](CCC=CC#CC(C)(C)C)CC(F)(F)F 2284070531 HKGDIPGVAJTOMQ-CQSZACIVSA-N 289.385 4.693 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)C[C@]1(C)COC 2284664679 GZSYOSPCGAOPKD-SJORKVTESA-N 284.440 4.645 30 10 CJEE CCCCCCCCCCNC[C@H]1COC2(CCC2)C1 2284842998 UFGUFQSPNFIIEH-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCN(CC#N)C1CCCCCC1 2284942116 XTGAODSAMREMOB-SJORKVTESA-N 276.468 4.751 30 10 CJEE C#C[C@]1(N2CCCCCC2)CCC[C@@H](C(C)(C)C)CC1 2285982230 WXTUCYYTLWMFKO-MJGOQNOKSA-N 275.480 4.861 30 10 CJEE C=C1C[C@H]1COc1cc(C)c(Cl)cc1[C@@H](C)NCCC 2286441086 BKLKIHGZGBBHIN-KGLIPLIRSA-N 293.838 4.664 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H](C)Oc1ccccc1 2287413628 KKNWJIKJAUIJHH-AEFFLSMTSA-N 275.436 4.569 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](CC(C)C)CS1 2287885939 QPCACFGHKXZRGJ-JKSUJKDBSA-N 298.540 4.946 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CC12CCC(CC1)C2 2289855111 PMIUXFDDAOBSFX-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE CCC[C@@H]1CC[C@H](CNC)[C@H](CC#CC2CCCC2)C1 2289875402 QHWCVSATLLDCDM-GUDVDZBRSA-N 275.480 4.622 30 10 CJEE C=CCCCCCC[C@](CC)(OCCC(=O)O)C(C)C 2292426065 HQILLWQEQVBTEM-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)C=CCCC1 2292650953 VTZOJGVSXIJTPQ-GOSISDBHSA-N 279.468 4.747 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(C)cc1Cl 2293138033 GYPUPUBCHYQOCS-WMLDXEAASA-N 295.854 4.657 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@H]2CC[C@@H]21 2293458822 OBJZTQPBFSXMNS-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCCN)CCC[C@H](CC(C)C)C1 2293517502 XFXOYXDESUBWGV-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CC12CCCCC2 2293657671 AEOVKIKSJHLAKO-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1cc(C)c(C)s1 2293725889 MVZWGBICIONPDD-QGZVFWFLSA-N 297.508 4.916 30 10 CJEE CCCCCCC[C@](C)(CC1CC=CC1)OCCCN 2293730935 JHOPNMDVBZVOEC-GOSISDBHSA-N 281.484 4.827 30 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CJEE O=C(C=Cc1ccccc1)C=Cc1ccc(Cl)s1 2297451186 VVMIXXIFGRLEMY-UHFFFAOYSA-N 274.772 4.697 30 10 CJEE C=CCC(CC=C)Nc1ccc(C)c(C)c1Br 2301017625 QQUGBIHBCOKOQM-UHFFFAOYSA-N 294.236 4.999 30 10 CJEE C[C@H](CCSCC1(CS)CCCCC1)C(F)F 2301078561 JXZGMPASXGWSGE-LLVKDONJSA-N 282.465 4.891 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1cc(Cl)ccc1Cl 2316714438 HBFQGSDATHBUCW-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE C=CCC[C@@H](C)[C@H](N)CCc1cc(Cl)cc(Cl)c1 2318603238 IZFQWIJKPWVYRZ-IAQYHMDHSA-N 286.246 4.856 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(Cl)c(C)cc1F 2319289148 PUSPXQNDYWFMEZ-HNNXBMFYSA-N 269.791 4.794 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)cc1SC 2319569462 ZTENVMRNMKDOQU-BBRMVZONSA-N 263.450 4.580 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(CCC)s1 2321098043 HBVQAPAKFCYQOW-BBRMVZONSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C(C)C)C1)NCC 2321144203 GLZXVYRIIQNIPU-GPANFISMSA-N 251.458 4.639 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1 2329773396 GWCGFLLTXKWLRH-XMOBOOAESA-N 262.437 4.844 30 10 CJEE CC(F)(F)c1ncc(CC2(C#N)CCCCCC2)s1 2335673426 JCLFPLSZMZLNMR-UHFFFAOYSA-N 284.375 4.661 30 10 CJEE CCCCCCCCCC[C@@]1(CO)COCC1(C)C 2336194613 MNHGCYWRBDQRAU-QGZVFWFLSA-N 270.457 4.552 30 10 CJEE Cc1c(C[C@]2(C#N)CCOC2(C)C)ccc(Cl)c1Cl 2338667826 UXPHQBFDTYZAGY-HNNXBMFYSA-N 298.213 4.553 30 10 CJEE C=CCC(CC=C)C[C@H](NCC)c1cccc(C)c1 2338743918 JZFOUARYFWLQOM-SFHVURJKSA-N 257.421 4.804 30 10 CJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1cc2cscc2s1 2339580453 FITMNOPDUQPVNT-QWHCGFSZSA-N 289.469 4.663 30 10 CJEE CCc1cnc(C2(C#N)CC(C)(C)CC(C)(C)C2)s1 2341697695 YTQJHGMQJCAXKR-UHFFFAOYSA-N 276.449 4.703 30 10 CJEE C=CC[C@H](NCC)[C@H](c1ccccc1)C1CCCC1 2342353011 FXHHMDOPPXUORE-ZWKOTPCHSA-N 257.421 4.515 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(OC)ccc1Cl 2344347134 ZERHCVBKOXRUMT-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE N#Cc1ccc(OCc2cc(F)c(Cl)cc2Cl)cc1 2349878964 XOUTXVJJPVHSCJ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1CC2(CCCC2)C1 2352083646 RVBYOPVMQBZETM-INIZCTEOSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCCC[C@@H]1CN 2353929118 CWMMNBLCVHVFDD-KZNAEPCWSA-N 283.500 4.643 30 10 CJEE O[C@@H](C#CC1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359890295 NJRPLKSZKQAIFY-VJANTYMQSA-N 274.448 4.538 30 10 CJEE CCCCCCC[C@@](C)(C[C@@]12CCC[C@@H]1C2)OCCN 2360056215 JVHKXEVWSACMRN-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)N[C@H]1c2ccccc2CCC1(C)C 2360210157 NDTLQGSZZIIBPA-SFHVURJKSA-N 269.432 4.811 30 10 CJEE COc1c(C)cc(C(=O)C=Cc2ccccc2)cc1Cl 2360217606 PJTWCSLGCASKGJ-UHFFFAOYSA-N 286.758 4.553 30 10 CJEE C=CCC(CC=C)OCc1cc(CNC(C)(C)C)cs1 2360219383 ICFWXVSEGCYDFE-UHFFFAOYSA-N 293.476 4.674 30 10 CJEE C=CCC(CC=C)Sc1ccnc(CN[C@H](C)CC)c1 2360377054 VBIOYIZVHNYSFH-CQSZACIVSA-N 290.476 4.583 30 10 CJEE Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H](C)C#N)cc1 31921546 OFIOKTFFEPTHMF-LBPRGKRZSA-N 295.773 4.590 30 10 CJEE CSc1ccc(/C=C2/CC/C(=C\C(C)C)C2=O)cc1 34145372 JKYBLNBHSSPWMF-AIWUCEOPSA-N 272.413 4.737 30 10 CJEE C[C@@H]1C/C(=N/Nc2ccc(C(F)(F)F)cn2)CC(C)(C)C1 34878156 PRBOZNQMEORION-TYYASITHSA-N 299.340 4.715 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2ccccc2F)cc1 57743988 DHXXHGUYDBLIQZ-INIZCTEOSA-N 267.347 4.799 30 10 CJEE CCCCCCCCCNCCc1ccc(OC)cc1 59058354 GNIYVXOEKFQWAF-UHFFFAOYSA-N 277.452 4.578 30 10 CJEE CCCCCCCCNc1ccc(-c2nnco2)cc1C 59469281 JJUWXXKIBUOKPX-UHFFFAOYSA-N 287.407 4.817 30 10 CJEE N#Cc1ccc(Cl)cc1NC(=O)CCC1CCCCC1 70268753 MLYSDASNEXMOMI-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE Cc1ccc(C[C@@H](C)Nc2cccc(Cl)c2C#N)s1 80245233 JLZGPKNONDETRF-SNVBAGLBSA-N 290.819 4.625 30 10 CJEE Cc1cc(C(=O)/C=C/c2c[nH]c3ccccc23)ccc1F 83204166 ZWNCTUBANSSKRL-VQHVLOKHSA-N 279.314 4.512 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)s2)CCCc2ccccc21 87930149 FREGPGFVQUHPIQ-INIZCTEOSA-N 287.815 4.742 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)c2ccc(Cl)cc2)CC1 91880850 JRRJKBPXBXAYPP-BLDCVEFLSA-N 291.822 4.730 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CCC[C@H](C)C2)CC1 91903382 ICJOGRRXKFNZEY-BSDSXHPESA-N 277.452 4.818 30 10 CJEE C[C@@]12CC3CC(C(=O)C4=CCCC4)(C1)C[C@](C)(C3)C2 94543871 VJGYBJLQTLCFFT-DWLODGJJSA-N 258.405 4.662 30 10 CJEE Cc1ccc(Cl)cc1OCC1(CS)CCCC1 94585990 RXCHWDUAVDYKQE-UHFFFAOYSA-N 270.825 4.517 30 10 CJEE CCCCCCCCNc1nnc(CC(C)C)s1 106351683 WBWWQFKRRJSSNW-UHFFFAOYSA-N 269.458 4.509 30 10 CJEE C=CC[C@H](C)c1ccc(CC)c(Br)c1 107478261 APVASTJBYZJLOQ-JTQLQIEISA-N 253.183 4.691 30 10 CJEE C=C[C@@H](C)Cc1cc(Br)ccc1OCCC 107588642 DUEZIHRLJFCMCC-LLVKDONJSA-N 283.209 4.603 30 10 CJEE C[C@H](CCC#N)c1ccc(Oc2ccccc2)cc1 107634093 ZSCIBCMNPSAILX-CQSZACIVSA-N 251.329 4.886 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@@H]1CCCN1 109687988 METQRINKOHJTAS-RBUKOAKNSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCn1ncc2ccc(N)cc21 110175893 LXBYWDZCZXRUPJ-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCN(CC)c1ccc(Nc2cc(Cl)ccc2C#N)cc1 110259215 UDENIUDMDQGCNH-UHFFFAOYSA-N 299.805 4.801 30 10 CJEE CCCCCCC[C@@H](Nc1cccc(C)c1)C(=O)OCC 110319502 SHCGURPDWPEJLS-QGZVFWFLSA-N 291.435 4.699 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NCC1(CC)CC 114060238 YMODENKMWXKXOK-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(OC)c(F)c1 114877793 CORJPGXYKYVHEF-OAHLLOKOSA-N 268.372 4.618 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)c1ccncc1 117684571 MVBGDBHKLJIFRN-WMZOPIPTSA-N 276.468 4.914 30 10 CJEE CCCCCCCCSc1ccc(N)c(F)c1 118301410 NJWWHTOXTJVXOO-UHFFFAOYSA-N 255.402 4.861 30 10 CJEE N#Cc1cc(Cl)nc(Nc2cc(Cl)ccc2Cl)c1 122611908 BBDHZVCUYZZMLB-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCOCc1ccc([C@H](C)CNCC)cc1 125753291 SYSMPWYXEAKQNV-QGZVFWFLSA-N 291.479 4.887 30 10 CJEE Cc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1C#N 126909357 RGHLGZKOCOJNQJ-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCSc1cccc(N[C@@H](C)c2cccs2)c1C#N 127001137 CLJGNGSDRRZGGH-NSHDSACASA-N 288.441 4.905 30 10 CJEE CCCCCCCCNc1ncccc1OC(C)C 128225358 WTJIYYVJOFDKMB-UHFFFAOYSA-N 264.413 4.641 30 10 CJEE CCCCCCCCCCN1[C@H]2CC[C@H]1CC(NCC)C2 129463905 FWXVADRWAOCWBQ-OALUTQOASA-N 294.527 4.732 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C)c(Cl)c1 130054515 TZHVKAVNVMPAMN-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCOC2(CCCC2)C1 132463429 HECUXYULVUBIBS-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCCCC[C@H]1CSC[C@H]1N 134579891 BYPGOYBIKNATSE-JKSUJKDBSA-N 271.514 4.988 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCC(C)C 156006748 GGQBSRFRYOIKEF-BBWFWOEESA-N 251.458 4.641 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1csc2ccccc12 158829312 DEFCZDWLCTUXTK-KRWDZBQOSA-N 273.445 4.634 30 10 CJEE CCCCCCCCN[C@@H]1C[C@@H](OCC)[C@@]1(C)CC 160798564 RBRNVFJOLRHBHH-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCCO1 165091143 DUHSBNBWYAQEQW-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE Cc1cc(C#N)ccc1COc1ccccc1C(C)(C)C 165535861 NZTNWCVNSVNHHS-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE N#Cc1ccc(Oc2cccc(Cl)c2F)cc1Cl 167123460 RMLAUONSWZZZJI-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE O=C(/C=C\c1ccc(Cl)cc1)c1cccc(Cl)c1 169537011 ZAEJRVCUOPUWCC-TWGQIWQCSA-N 277.150 4.890 30 10 CJEE CCCCCCCCN[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 216315522 LWJSMOASKZOHCR-AVEIZBFRSA-N 263.469 4.761 30 10 CJEE CCCCCCCCCN(C)[C@@]1(CN)CCC[C@@H](C)C1 218845700 MALMESSIVACICR-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 219339513 YBEBEJUJHRELHT-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC1CC1 219716595 QGFHDVFZTMAIRT-XHSDSOJGSA-N 263.469 4.783 30 10 CJEE Cc1ccc(Cl)c(Oc2c(C)cccc2C#N)c1 221143816 COAAAXBNWUWWGI-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](CC)[C@@H]2C)c1C#N 228888197 ZEOSTYZUOZORSL-GZBFAFLISA-N 288.460 4.907 30 10 CJEE C[C@H](CC1CCC1)Nc1ccc(C#N)cc1C(F)(F)F 229678354 FZHRYNANIDWQIL-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE C=C(CNC(C)(C)C)CSc1ccc2ccccc2c1 231573929 HMKZOKVNTKRWSJ-UHFFFAOYSA-N 285.456 4.876 30 10 CJEE Cc1cc(C#N)ccc1CNCCCCCCC(C)C 232538011 SXCSFHAVGJFPHB-UHFFFAOYSA-N 272.436 4.563 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCCCC1=O 232958760 YBPFYNVRTCKLKG-QGZVFWFLSA-N 282.424 4.731 30 10 CJEE C=CCCCCC[C@H](O)[C@@H](C)Oc1cccc(Cl)c1 235247976 KPWJHNAIUXVJIR-CJNGLKHVSA-N 282.811 4.605 30 10 CJEE C[C@@H](CCS)CCN(C)[C@H](C)c1ccc(Cl)cc1 251162311 CHHURPKHQAISHG-CHWSQXEVSA-N 285.884 4.679 30 10 CJEE CCOc1ccc(N=Cc2ccc(OC(C)C)cc2)cc1 254352807 ZIPVRYMFLOKFOO-UHFFFAOYSA-N 283.371 4.623 30 10 CJEE C=C1SC(=Nc2ccccc2)[C@]1(C)c1ccccc1 254740729 ZVVUAXXNMJQVMA-KRWDZBQOSA-N 265.381 4.935 30 10 CJEE COc1ccc(Cl)cc1N=Cc1ccc2ncccc2c1 254749184 OZOHGPYMQALUAL-UHFFFAOYSA-N 296.757 4.647 30 10 CJEE CC1(C)C[C@@]1(C#N)c1ccc(C2CCCCC2)cc1 258933901 BFOCDVCZWNYHFA-GOSISDBHSA-N 253.389 4.926 30 10 CJEE CSc1ccc(C2(C#N)CCCC2)cc1Br 260599202 NMRQRGMLYRDXNC-UHFFFAOYSA-N 296.233 4.506 30 10 CJEE Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C#N 300438501 QQLFSXQMXNMTBH-DHSIGJKJSA-N 270.420 4.739 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(C)cc2C#N)cc1 300460153 QMMSDZHNDMAMHS-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CC[Si](C#Cc1ccccc1Cl)(CC)CC 309152597 ZEZAUVZPPUJIOJ-UHFFFAOYSA-N 250.845 4.739 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CC#Cc2ccccc2)C1 311584482 VRXIITGLAZXQBN-WMZOPIPTSA-N 251.373 4.538 30 10 CJEE C=C([C@@H](NCCC)c1cccc(Cl)c1F)C(F)(F)F 312014711 STZAYCQOHQIIGT-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2C[C@@H](CC)CC[C@H]2C)C1 312949895 PPWHOJVFDSVBOE-CWQOZTLDSA-N 276.468 4.605 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316822757 PJMLGGCHAHZEBU-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C[C@@H](CC1(C=O)CCC(C)(C)CC1)c1ccccc1 317220793 LCEJSGPUNFXPTN-HNNXBMFYSA-N 258.405 4.966 30 10 CJEE N#C[C@]1(Cc2csc(Cl)c2)CCc2ccccc2C1 379000104 RAGSVPZXRGIIOS-INIZCTEOSA-N 287.815 4.643 30 10 CJEE COc1ccc(CC2(C#N)CCCCCCC2)c(F)c1 380014471 SDYOZUIZFPJDEO-UHFFFAOYSA-N 275.367 4.631 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@H]1CC2CCC1CC2 381858919 IMOXANAFTDRPTC-CXMPNGEBSA-N 288.822 4.860 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 381918477 MRGKXTNBVHRBCU-KRWDZBQOSA-N 295.426 4.882 30 10 CJEE CCCNC[C@@H]1CC[C@@H](CC)C[C@@H]1CC#CC(C)(C)C 383588088 JZBUAAUPPBGWOO-SQNIBIBYSA-N 277.496 4.868 30 10 CJEE CCCCCCCNc1cc(F)cc(Br)c1 387226802 MKPVZUWYIJISKV-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE Cc1ccc([C@@H](C)N(C)CCCCCCS)s1 395763553 WCNZJQOWWKXFRX-CYBMUJFWSA-N 271.495 4.540 30 10 CJEE CC[C@@H](CC(=O)C1=CCCCCC1)CC(F)(F)F 402376736 XILYJBZZBYFWNZ-NSHDSACASA-N 262.315 4.815 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 466239657 BQHUXEVSDJEPJS-QGZVFWFLSA-N 297.442 4.521 30 10 CJEE Cc1ccc([C@H]2C[C@@H](C)CCN2CCCC(C)(C)C#N)o1 472232663 JTHGICNLZYEHQL-GOEBONIOSA-N 288.435 4.691 30 10 CJEE N#CCCCOc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1 507469084 JGNNCARXNKHOBF-RTBURBONSA-N 298.430 4.750 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]12CCC[C@@H]1OCC2 687405323 JDAABXBGBKILKZ-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cc(C)cc(C#N)c1 691052090 DPNDEARAGGKHKB-RDJZCZTQSA-N 256.393 4.638 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(CC)s1 692255804 TYLMCBXKPITWQU-BBRMVZONSA-N 263.450 4.535 30 10 CJEE CCSc1cccc(N[C@@H]2CCCC3(CC3)C2)c1C#N 695766493 OVVHZHPXIYOMGD-CYBMUJFWSA-N 286.444 4.805 30 10 CJEE CCCNCc1cccc(S[C@H](C)CC(C)(C)C#N)c1 695776791 GDSJBKQWOPMHBM-CQSZACIVSA-N 290.476 4.607 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](N)CCC 696468033 MUNQDSAQWREDSS-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE CC(C)C1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 697594963 IIVDMOMASRICSM-NSHDSACASA-N 296.197 4.606 30 10 CJEE CCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698454387 YOTMHWNGKBQBRQ-HUUCEWRRSA-N 296.455 4.885 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccnc(OC)c1Cl 701590279 QEKYVKUUMHZRCJ-CQSZACIVSA-N 298.858 4.884 30 10 CJEE C[C@H]1CC=C(C(=O)c2csc(C(F)(F)F)c2)CC1 703185046 BWWJSRLDCQYKJL-QMMMGPOBSA-N 274.307 4.696 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1c(F)cccc1Cl 704935971 BFCHXRQFJFYQOK-GRYCIOLGSA-N 265.759 4.913 30 10 CJEE CCCCCCCCCCC(=O)CC12CCC(CC1)N2 713525834 YOJZUCTWBZGDCO-UHFFFAOYSA-N 279.468 4.761 30 10 CJEE C=CCCC(C)(C)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 717914929 AQBHKJVXFKRZCN-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(CC)(CC)OC)CC1 724571893 XOGUFXQDGFCQLJ-QGZVFWFLSA-N 281.484 4.696 30 10 CJEE C=C1CCC(CC(=O)CSC2CCCCC2)CC1 724579337 LNZIPSFMBNITFA-UHFFFAOYSA-N 266.450 4.758 30 10 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268.466 4.695 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C(C)(C)C 2262544918 LKITUDHEVNDUBR-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE SCCCCCCCN1CCCC[C@@H]1C1CCC1 2263207018 VTQACXVTNDLKAL-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE C=C1CC([C@@H](CC[C@@H]2CCCCC23CC3)NCC)C1 2264861628 GZNDDQBCWNREQC-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1csc(C2CC2)c1 2268751523 YUKYUYYXQKTZSM-HNNXBMFYSA-N 273.445 4.621 30 10 CJEE Cc1cc([C@H](N)CC=CC#CC(C)(C)C)ccc1Cl 2268758131 FZHLKKFCZCMQLB-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H]1CCCc2ccccc21 2271786267 UUCDESYYPRXCPD-QZTJIDSGSA-N 257.421 4.570 30 10 CJEE N#Cc1cc(Cl)cc(OC[C@]23CCCC[C@@H]2CC3)c1 2273409476 DQUHOUMZDILHRD-CZUORRHYSA-N 275.779 4.561 30 10 CJEE CCCCCC#CC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2274538450 ZKWIMEGXZJUBFU-HZPDHXFCSA-N 264.453 4.784 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CCC)OCCCN 2276469653 HLEVYNVOEWKUOG-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)C1(CCC)CCC1 2277230539 DBVFQXUHPOEZML-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCC[C@H](C)CC[C@H](N)C#Cc1ccccc1Cl 2277838899 XTDVFTWSMJDHSS-HOCLYGCPSA-N 277.839 4.625 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H]([C@@H](C)CC)CO1 2278126339 CAZUHDIHRRUISF-YESZJQIVSA-N 269.473 4.878 30 10 CJEE CCCCCCCCCCCCNCC[C@H]1CCO1 2278551814 AKRFTIUHPAJXLR-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CC1(C)OCCC[C@@]1(C=O)CC[C@H]1CCCCC12CC2 2279657806 UNNGZIYAOQRBBQ-QAPCUYQASA-N 278.436 4.511 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2279660533 GUDOQGXXOWUVFD-KFWWJZLASA-N 289.385 4.527 30 10 CJEE CC1=CCC[C@@H](C)[C@H]1CNc1cc(C)c(C#N)c(C)c1 2280555101 GAKXRGPEVPVPMV-ACJLOTCBSA-N 268.404 4.579 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(F)cc1Cl 2284094093 DSXRWMOUMHYLHC-MRXNPFEDSA-N 293.813 4.735 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C(=O)O)CCCCC1(C)C 2284176790 FBCSNHSBERHQNG-GOSISDBHSA-N 276.420 4.653 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)cc1C 2285157369 HTMIKZOMNCXQLN-RKVPGOIHSA-N 275.411 4.920 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](C2CCC2)S1 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C=C(C)CCCC[C@](C)(CCC(F)(F)F)OCCCN 2292794197 WAXBVFOBIOEVTN-CQSZACIVSA-N 295.389 4.590 30 10 CJEE C=CCC[C@@H](C)C1(OCCCN)CCC(C)(CC)CC1 2293138795 NFJQVNLUZUSMAT-WWDZGPRUSA-N 281.484 4.683 30 10 CJEE C=CCC[C@](C)(C[C@@H]1CCC=CCCC1)OCCCN 2293161115 ALSRIEQCAWWEND-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=CC[C@H](C)[C@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2294558096 ZXIYXUQCJMPWHS-BQFCYCMXSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCN)C12CCC(CC1)C2 2294591975 OTXOKIINOWJVGC-ADKAHSJRSA-N 281.484 4.661 30 10 CJEE N#Cc1c(F)cccc1-c1ccc2ccc(Cl)cc2n1 2294963649 BJGAZOFZIFJBBL-UHFFFAOYSA-N 282.705 4.566 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccc2ccc(Cl)cc2n1 2294981158 IMSMNKNQWIHWDX-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE C#Cc1ccc2c(ccn2C[C@]23CCCC[C@@H]2CC3)c1 2295177503 NAOCWNAOFIGGLQ-IEBWSBKVSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@H](C)N(CC(=O)O)CC(C)C 2295534987 XKQWHKNRQWJPTF-INIZCTEOSA-N 285.472 4.558 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCC(C)(F)F 2295681084 CVEVTBFEOZZSQA-HUUCEWRRSA-N 293.442 4.641 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](C)N(C)C1CC1 2295692101 SDVUVOJJHQNMSS-SJORKVTESA-N 282.516 4.588 30 10 CJEE C=CC1(C[C@@](N)(c2ccccc2)C2CCCC2)CCC1 2295780529 IKHQEAIMWOLGPE-LJQANCHMSA-N 269.432 4.777 30 10 CJEE C=CCCC[C@H](N)c1ccc2oc3ccccc3c2c1 2295800647 ZPLZSPPIEAQGQI-INIZCTEOSA-N 265.356 4.942 30 10 CJEE CC(C)c1ccc(C(=O)C=CNc2ccc(F)cc2)cc1 2296876053 SSDYRZQTGBDGLZ-UHFFFAOYSA-N 283.346 4.758 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cscc1F 2304042130 TYTQVJJKEFQNBF-UONOGXRCSA-N 255.402 4.530 30 10 CJEE C=CCC[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2304901247 SGBDCOCMDRONTH-ZDUSSCGKSA-N 296.252 4.649 30 10 CJEE C=CCC[C@@H](C)NCc1cc(F)c(Cl)cc1Cl 2306198567 CNQSNRRNZCZCJM-SECBINFHSA-N 276.182 4.577 30 10 CJEE C=CCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2306206562 GCPZAZGEHQOUNL-CYBMUJFWSA-N 276.182 4.879 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CC1 2311441124 VWQAUOCMVJRYTA-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](SC[C@H]2CC[C@H](C)CC2)C1 2313809575 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CCCCCCCCC[C@H](N)c1snnc1C1CC1 2335787014 CDCVVEFTMSEYMR-ZDUSSCGKSA-N 281.469 4.556 30 10 CJEE CCC[C@@H](CS)COCc1cc(F)ccc1C(F)F 2338247186 WOQWDPHYNOHXDC-SNVBAGLBSA-N 292.366 4.626 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC(F)(F)[C@H]1NCCC 2338745190 UOHJROXCGQXOKM-CABCVRRESA-N 271.395 4.558 30 10 CJEE CCCCCCCC[C@]1(OCCCN)[C@@H](C)C[C@H]1C 2338768758 AWHVISIWTJSIAZ-BJWYYQGGSA-N 269.473 4.517 30 10 CJEE C=C(C)C[C@H](Cc1ccc(C(C)C)cc1)NCCC 2341929352 OGDVYZMHOXDKLX-GOSISDBHSA-N 259.437 4.687 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2343072846 MOWPDCJRGQNGIW-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NCCC 2344349348 RXRQFLSEYGTXNJ-QXDIGNSFSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCO[C@@H]1CN[C@H](C(C)C)C1 2344600161 FDEYHTPMWORYAC-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC2(CCCCC2)C1 2352023103 TVLRGLSSTXSRKX-INIZCTEOSA-N 282.449 4.644 30 10 CJEE C#CCCCCCCCOc1cc(Cl)c(C)cc1N 2353115798 PQGAQWNKSJPCTJ-UHFFFAOYSA-N 279.811 4.583 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(SC)c2)[C@H]1C 2353834134 LDHRCHDLPJLAJG-ZOWXZIJZSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@@H]1C[C@H]1C(C)(C)C 2357826893 QHDWIPBFTBADDM-HDMKZQKVSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@]2(C)CO[C@@H]1C2 2360180172 TWIIMQVPQWSZDR-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)Sc1nc2ccccc2cc1C=O 2360309868 RRTLYCTXHNPFIE-UHFFFAOYSA-N 283.396 4.660 30 10 CJEE C=C(C)COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 14784357 XZUDFDKTGWOSCD-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CC(C)c1ccc([C@@H](C#N)NC2CCCCCC2)cc1 20174537 IIHHMWWHKDAGOI-GOSISDBHSA-N 270.420 4.687 30 10 CJEE CC[C@@H](CC#N)Sc1cc(Cl)ccc1Cl 36679237 RBHCNDKPDFCDDJ-VIFPVBQESA-N 260.189 4.778 30 10 CJEE CCCC(C#N)(CCC)C(=O)N[C@H](CC)C1CCCCC1 52343191 ZNMBEYBOXBRIQH-MRXNPFEDSA-N 292.467 4.572 30 10 CJEE CCc1ccc(OCCC[C@@](C)(C#N)c2ccccc2)cc1 57687458 NPCSAQNFGGYDME-FQEVSTJZSA-N 293.410 4.889 30 10 CJEE CCCCCCCNc1cccc(CN(CC)CC)c1 59460471 QXGNJOBOJDSYSP-UHFFFAOYSA-N 276.468 4.911 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 68594695 VELYGQISRQJEQD-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(NC2CCCCCC2)CC1 86949533 CMMSIXJGDWPORH-AEFFLSMTSA-N 276.468 4.942 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(Cl)c2)C1 87972877 XALLPJMJBCPKMQ-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE CCCCCCCCCn1nc(C)c(C(=O)CC)c1C 110267726 KELNWZAPMBZBOB-UHFFFAOYSA-N 278.440 4.843 30 10 CJEE CCCCCCCCCCCCn1ccnc1C[C@H](C)N 110310300 QOTFCXLMIKGSKC-KRWDZBQOSA-N 293.499 4.694 30 10 CJEE C#CCC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 110923514 RJACZCRVBNURLV-GOSISDBHSA-N 285.475 4.535 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCOc2ccccc21 115844593 VMFQPACJDZCOHT-WMZOPIPTSA-N 289.463 4.891 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(CC)N(CC)CC 118157632 LIGFYGDUENDCQP-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCC[C@@H](Cc1cc(F)ccc1Cl)NC 126598555 MLMMXJONDPEEJY-HNNXBMFYSA-N 285.834 4.970 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(C#N)c1 127669635 JRVZVRYDXRMAIB-KRWDZBQOSA-N 259.393 4.732 30 10 CJEE CCCCCCCCOCC(C)(C)CNCC(C)C 129476795 ZRRXTABJZUTXPD-UHFFFAOYSA-N 271.489 4.635 30 10 CJEE CCC1CCC(C#N)(CCSC(F)(F)F)CC1 130943325 IJWBQEXFBJMIRE-UHFFFAOYSA-N 265.344 4.740 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(Cl)nc1 135168492 RSQAIYCCFSDSRM-CYBMUJFWSA-N 255.789 4.519 30 10 CJEE CCCCCCCOc1c(Cl)cccc1/C=C/C(=O)O 135861233 LTXAWONSHILREE-ZHACJKMWSA-N 296.794 4.787 30 10 CJEE CCSc1cccc(SCc2ccco2)c1C#N 136991427 NUDYWTHKRVLIQV-UHFFFAOYSA-N 275.398 4.556 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 158062479 URNOHXZFDCHCHO-MUGJNUQGSA-N 285.475 4.911 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cc(F)cc(Cl)c2)c1 160963863 CBHACLQPUVQBIC-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC(C)N(Cc1ccccc1)Cc1ccc(C#N)cc1Cl 162857116 CIJHRXHCLCCGQI-UHFFFAOYSA-N 298.817 4.622 30 10 CJEE CCCCCCCC[C@H](NN)c1ccccc1Cl 168557619 QABWUOBLUWXMMN-HNNXBMFYSA-N 268.832 4.595 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccoc1 189895387 LMPURTXCFBUFNX-UHFFFAOYSA-N 297.398 4.703 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H](C)c1cccc(Cl)c1 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CCCCCC[C@H](C)O[C@@H]1C[C@@H](C)CC[C@H]1C#N 250816544 JIWTZGSVCCRAOF-YHUYYLMFSA-N 251.414 4.690 30 10 CJEE C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 252389086 HAFMGIGSPLUOFF-HALDLXJZSA-N 270.420 4.724 30 10 CJEE CC(=Nc1ccc(Br)cc1)c1ccccc1 256446294 NVGPJBDDPVXJDJ-UHFFFAOYSA-N 274.161 4.590 30 10 CJEE SCCc1csc(-c2cc(Cl)cc(Cl)c2)n1 304689179 ZNTZIRFMTXFJFW-UHFFFAOYSA-N 290.240 4.589 30 10 CJEE CCCCCCC[C@H](NN)[C@@H](CCC)CC(C)C 308078276 YGSIOTCSAMWCRK-HOTGVXAUSA-N 256.478 4.641 30 10 CJEE CSC(C)=Nc1ccccc1OCc1ccccc1 309631022 HWZSIMYVAGLVTG-UHFFFAOYSA-N 271.385 4.679 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@H](C)C(C)(C)C 311445250 WISRCDKNWSQISP-HOTGVXAUSA-N 265.485 4.867 30 10 CJEE CCc1cc(N[C@H](CC#N)c2ccccc2)ccc1C 312606719 PQKICLJWUWTNHC-GOSISDBHSA-N 264.372 4.624 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(C(C)C)cc2)C1 316899392 XLCPJBKINYMRTE-QAPCUYQASA-N 258.405 4.748 30 10 CJEE CCCNC[C@@]1(CC#CC(C)(C)C)CCC[C@@H](C)C1 317204340 QLXHTFQMXBTIIW-SJLPKXTDSA-N 263.469 4.622 30 10 CJEE CCCCCCCCC1(C=O)Cc2ccccc2C1 317306477 UUHSMGJDODLADQ-UHFFFAOYSA-N 258.405 4.721 30 10 CJEE C=CCC(C)(C)CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 380950356 POBFCFBMKFSALQ-BZUAXINKSA-N 251.458 4.639 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1csc2ccccc12 384866750 FIUGBWIDSVWNKT-MLGOLLRUSA-N 255.386 4.774 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2nccc3sccc23)C1 388078951 QFOKXSUZCKUCOT-MLGOLLRUSA-N 270.401 4.658 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(Br)cc1 398099743 HCGOSESJKDGYMB-QWHCGFSZSA-N 296.252 4.845 30 10 CJEE Cc1cccc(CCC2(C#N)CCCCCCC2)n1 399755789 PZWUDVXAGVUCPS-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE Fc1c(Cl)cccc1N=C1NC2(CCCC2)CCS1 687325791 PKYIQFHXJJIGIK-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE Cc1c(NC[C@H](C#N)C(C)(C)C)cccc1C(F)(F)F 689682353 XFGHSTMACSCYJY-NSHDSACASA-N 284.325 4.612 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCCCC[C@H]2C(C)C)c1 691140564 ZLCPUHIDIWRBLV-ZWKOTPCHSA-N 270.420 4.884 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC1(F)F)NC 691205543 NDGACZVCEVZHET-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1NCC 698709115 NCZKVBMOFKIDMV-KURKYZTESA-N 283.500 4.778 30 10 CJEE C#C[C@@H](N[C@@H](C)c1c(Cl)cccc1Cl)C(C)(C)C 702237269 YRHMHFUXDCMHDL-GXFFZTMASA-N 284.230 4.692 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(CC)s1 703994993 AFZBVKPWKGSVBI-ZDUSSCGKSA-N 265.466 4.954 30 10 CJEE N#Cc1cc(Cl)nc(Oc2cccc3sccc23)c1 705009794 MEIUBWKWRFYYNC-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCOC1)NCCC 708338975 RAOQVVJTHIKMSC-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCCOC[C@H](NCCC)c1ccc(F)c(Cl)c1 708935398 GSEOPUSBJAAJAA-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)[C@]12CCCC[C@@H]1C2 709200036 HVEWJBOGUYWGHV-NORZTCDRSA-N 274.795 4.592 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(SC)cc1 710586318 XKCDGGCJLOSRPW-CQSZACIVSA-N 269.841 4.592 30 10 CJEE CCCCCCCCCCNC[C@H]1CCC2(CCC2)O1 711484591 MGSRHONYUMFMSZ-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)c(Br)cc1F 715005716 PSICNEXLYDJNAS-SSDOTTSWSA-N 292.579 4.618 30 10 CJEE CC1(C)CCCCC[C@H]1N[C@@H](CC#N)c1ccccc1 718964811 FZLRZFJJHZHSQQ-DLBZAZTESA-N 270.420 4.590 30 10 CJEE CCCCCCCCC(=O)C1C[C@@H](C)O[C@H](C)C1 724266434 JAZXRJMRROXJSX-ZIAGYGMSSA-N 254.414 4.510 30 10 CJEE C=C1CCC(C[C@@H](O)Cc2cccc(Cl)c2F)CC1 724555570 GUKVFIUAAPEQAQ-CQSZACIVSA-N 282.786 4.519 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2C[C@H](C)O[C@H](C)C2)C1 724879796 JTIZPDVZLLHVJY-JJTUDDRGSA-N 263.425 4.690 30 10 CJEE CCCCCOc1ccc(C#Cc2cccc(C#N)c2)cc1 725416883 BGJBDHQJRJLOFD-UHFFFAOYSA-N 289.378 4.527 30 10 CJEE C=C(C)CO/N=C(\CC)c1ccc(SCC)cc1 821227781 XVPBQQBJFSFNTP-FOCLMDBBSA-N 263.406 4.505 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(F)=C\CC 867727265 SSRTZZUSNSFTGJ-OQLLNIDSSA-N 275.367 4.740 30 10 CJEE C=CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)c1ccccc1 1124819842 UDWKEDFAHZVDAW-GJZGRUSLSA-N 273.420 4.524 30 10 CJEE C=CCN(C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21)C(C)(C)C 1131324488 ILIRVOCHXZXSDJ-HZPDHXFCSA-N 299.458 4.789 30 10 CJEE C=CCCCCSc1nc2ccc(Cl)cc2[nH]1 1164448188 OJQHUNHNWFWNTJ-UHFFFAOYSA-N 266.797 4.665 30 10 CJEE C=CCN(CC=C)CC1CCC(c2ccccc2)CC1 1180375063 DZQCVQVLEOPBOM-UHFFFAOYSA-N 269.432 4.634 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(CN3CCCCC3)cc2)C1 1183491512 RBMCRYYMABEFOQ-XLIONFOSSA-N 298.474 4.829 30 10 CJEE C=CCCCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1195919369 MCSVFCSGYAZENE-ROUUACIJSA-N 299.458 4.807 30 10 CJEE C=C[C@H]1CCCCN1C(=O)Nc1cc(C)c(C)cc1Cl 1218312846 FKHKVHCANNZLBL-ZDUSSCGKSA-N 292.810 4.529 30 10 CJEE C=C(C)CN(CC)C(=O)c1cc2cc(Cl)ccc2s1 1264340080 GMXGEEUWUOKTIF-UHFFFAOYSA-N 293.819 4.593 30 10 CJEE C=CC1(CC(=O)N(C)Cc2cc(C)cc(C)c2)CCCCC1 1271579227 OLNDVYCPBVDZBN-UHFFFAOYSA-N 299.458 4.788 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1Oc1cccc(F)c1 1291960993 ZTUAZTDYBILKGL-UHFFFAOYSA-N 285.318 4.523 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1436598346 SYRHBHPFRKDQSY-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1437636560 DGJFQURCAPBBDA-YQFWSFKMSA-N 272.388 4.529 30 10 CJEE C#CCCCCCCSCc1cccc(OC)c1 1458923629 SKBDUSXUHRFVOI-UHFFFAOYSA-N 262.418 4.512 30 10 CJEE C=CCC1(NC(=O)CCCCC(C)(C)C)CCCC1 1461607711 PFFUDZZYPHZRQQ-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C=C(C)CN(CC)C(=O)N[C@H](CCCCC)C(C)(C)C 1477884688 ZZZYTEMXVBNMHM-OAHLLOKOSA-N 282.472 4.589 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1525031003 RULDNVISQRERTL-CABCVRRESA-N 279.468 4.557 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCCC1 1534953651 QZTVCYSSIDGPFX-LLVKDONJSA-N 297.851 4.715 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CCCCC1 1546120544 QWKLATBQCNKLLK-BBWFWOEESA-N 289.463 4.550 30 10 CJEE C=C[C@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 1558026621 GCJHVKMSLXHUIY-INIZCTEOSA-N 293.410 4.892 30 10 CJEE C=CC[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 1559360798 BFIXOZLHUOHQFD-MRVPVSSYSA-N 286.322 4.638 30 10 CJEE C#Cc1ccc(CN[C@H]2CCC[C@@H](C(C)(C)C)CC2)cc1 1560442623 ULCNHGFEXCZGHO-MOPGFXCFSA-N 283.459 4.753 30 10 CJEE C=CC(C)(C)CCCNC[C@@H](C)CCc1ccccc1 1560579125 YWNLBQDAJKAMMO-KRWDZBQOSA-N 273.464 4.837 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 1560941010 CHRTYLHPQDBZDO-DZJNRPSUSA-N 289.850 4.703 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1c(C)cccc1CC 1562168362 VDAQTYHEFLEGNE-UHFFFAOYSA-N 288.435 4.671 30 10 CJEE CC(C)c1ccc(C#Cc2ccc(Cl)cc2)cc1 1614825877 XFXBBDIMTCAKEC-UHFFFAOYSA-N 254.760 4.863 30 10 CJEE C=CCCCCCN(CC)[C@H](C)Cc1ccsc1 1617428847 IGQGGDJSOABJRI-OAHLLOKOSA-N 265.466 4.747 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCCc3c(F)cccc32)C1 1620954032 FYTPTBBYUARTOP-QWQRMKEZSA-N 273.395 4.538 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 1625512879 RNUNQFBWBVEOEQ-WKILWMFISA-N 279.468 4.557 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)Cc1ccccc1F 1641569202 VUFSKOKSPTUZEW-UHFFFAOYSA-N 295.810 4.729 30 10 CJEE C#CCC1(NCc2cc(Cl)cc(Cl)c2)CCCCC1 1655687090 VIPGDNYNSNEIDF-UHFFFAOYSA-N 296.241 4.809 30 10 CJEE C=CCCCCNCc1ccc(-c2cccc(F)c2F)o1 1656132841 COXKFDUJKRQUHL-UHFFFAOYSA-N 291.341 4.671 30 10 CJEE C=CCCc1ccccc1NCc1ccc(CC)o1 1657233355 PQXBALURALRXRW-UHFFFAOYSA-N 255.361 4.573 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1658853811 PKCQUVLDTYEGHW-BXWFABGCSA-N 284.447 4.832 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(C)cnc1OC(C)C 1659282768 ODXKJNCUBKDMRC-OAHLLOKOSA-N 276.424 4.724 30 10 CJEE C=CCCCN(CC)Cc1ccc(SC(F)F)cc1 1660155400 QXTATUXJXAUQMF-UHFFFAOYSA-N 285.403 4.789 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@H](C4CC4)C3)cc21 1660800330 KUFVMGFZIWFXGI-DOTOQJQBSA-N 295.430 4.603 30 10 CJEE C=CCC1(NC(=O)N[C@H](C)C2CCCCCC2)CCCC1 1681459694 AYVMTZOLUPULMB-OAHLLOKOSA-N 292.467 4.533 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1ccc(C)cc1 1879648206 ULKDBNVWGZPUDZ-GOSISDBHSA-N 257.421 4.619 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cccc(C(F)F)n1 1880735737 FOICVSRUWJZOFH-VXGBXAGGSA-N 266.335 4.566 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C2C[C@@H]3C1[C@@H]3C2 1883434522 UYGCHDMHBSHPNZ-ONWVLEABSA-N 263.469 4.571 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@H]1CC[C@H](CC)CC1 1885069304 IQFGDARVDZSUOI-VHKIVQRHSA-N 261.453 4.776 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H]1CCCC[C@H]1C 1885226281 BTLWSSCDICKZHF-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@@H](NCCC)C(C)(C)C(F)(F)F 1885238360 UFZFLQAAHUKYOH-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1ccc(F)cc1F 1892436675 TVJPKWJMHVURBO-UHFFFAOYSA-N 287.353 4.543 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 1893524610 DPVNYASUGQIINW-DRRXZNNHSA-N 261.453 4.536 30 10 CJEE CCCC1CCC(C=O)([C@@H]2C[C@]2(C)C(F)(F)F)CC1 1909518664 VOLGDHXQGJSFAQ-DKNRTOFZSA-N 276.342 4.751 30 10 CJEE CC(C)CCC[C@@H](C)N=C1N[C@@H](CC(C)(C)C)CS1 1911808749 NZPZCXZWWRJLAP-KGLIPLIRSA-N 284.513 4.698 30 10 CJEE CC(C)(C#N)CCCCC1(C(=O)O)CC2(CCCC2)C1 1912719360 QVIVSLXPPHKNJU-UHFFFAOYSA-N 277.408 4.522 30 10 CJEE C=CCC(C)(C)NCc1ccc(-c2ccccc2)s1 1913712365 CMTYSSDLFREUDJ-UHFFFAOYSA-N 271.429 4.859 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CC)c2cccs2)CC1 1921075289 VERCLUZPTAALDQ-BDVYOWHSSA-N 291.460 4.846 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC(C)C)NCC 1921148216 OMBAUDFBZFYAJB-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE 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4.655 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(Cl)c1OC 2321173992 HKMYQDCTPNOUPF-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327714034 UWOHPMHSQCDWPE-XHDPSFHLSA-N 284.230 4.919 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1C[C@@H](C(F)(F)F)C1 2327728160 BSQKWOGYMJZUFO-FVCCEPFGSA-N 259.315 4.685 30 10 CJEE CSc1cc(NCc2ccc(Cl)s2)ccc1C#N 2328522966 KWUVFCJDINZFQN-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE CCCCCCC[C@](C)(O)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329733447 YXBYZKMWDQXFOB-XGUBFFRZSA-N 274.395 4.779 30 10 CJEE CCCCCCCN(C)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2330242345 IUAICVFBAHHFMZ-ZNMIVQPWSA-N 273.411 4.570 30 10 CJEE CCCC[C@](C)(C=O)Cc1cc(F)ccc1C(F)F 2337993792 ITJMMVRNTCBZDF-HNNXBMFYSA-N 272.310 4.701 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1 2338674586 QPJBIBQFAHDEAT-QAETUUGQSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@H]1CC(C)C 2338741510 OAWJCMJIFFCULK-SQNIBIBYSA-N 263.469 4.805 30 10 CJEE 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276.420 4.738 30 10 CJEE CC[C@@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 80458565 VLHVBZQKFWWTID-STQMWFEESA-N 292.448 4.515 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCC[C@@H]1O 91323652 XKSBPQGIFRKKCO-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(C(C)C)cc2)C1 91881598 RSRKUYVSOUKOCY-LZQZEXGQSA-N 285.431 4.954 30 10 CJEE Cc1cc(OCC2(CS)CCC2)ccc1C(C)C 94582788 BYGVABRPRKOOQH-UHFFFAOYSA-N 264.434 4.597 30 10 CJEE C=C(CC)C[C@@H](NCCC)C(C)(C)c1ccccc1 97208693 RPPRZBVWNWVADP-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE CC(C)C1CCC(C#N)(Nc2ccccc2Cl)CC1 103967382 AWWFLHIOYCEFGI-UHFFFAOYSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C#N)c1ccccc1 105779804 PAVKVOBWGXPZJI-QGZVFWFLSA-N 286.419 4.508 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(Cl)ccc1OCC 107582295 QJAPNQHPXIIRGJ-QWHCGFSZSA-N 264.796 4.892 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc(F)c1 109716893 IEAXYJNOZOXPAG-INIZCTEOSA-N 251.389 4.966 30 10 CJEE CCCCCCCCOc1ccc(C)cc1C[C@@H](C)N 109766393 MGPRWMVOKZXEGQ-MRXNPFEDSA-N 277.452 4.624 30 10 CJEE CC(C)c1cccc(Nc2ccc(F)cc2C#N)c1 111035973 DVGMNIYGNSTYDI-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCCCCC[C@H](O)Cc1cccc(C(F)(F)F)c1 115653622 LMZVDKGGQRBANK-HNNXBMFYSA-N 288.353 4.969 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc([N+](=O)[O-])cc1 115858302 XUNOHVANLFARDX-UHFFFAOYSA-N 291.391 4.847 30 10 CJEE CCCCCCCCCc1nc(-c2cccc(N)c2)no1 115858915 HDMRSRKUAVUKAM-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE CCCCCCCCCCNc1c(N)c(C(C)C)nn1C 129220130 QVQWOJODEZPBOZ-UHFFFAOYSA-N 294.487 4.678 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C1(C)CC1 129889448 POPWHUDATZUPRP-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H](C)C(C)C 131281250 FUVQYNIDWCCPHI-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE C=CCC[C@H](C)Nc1c(C)cc(Br)cc1C 131972180 JUPSWEWCMHQZQG-LBPRGKRZSA-N 282.225 4.833 30 10 CJEE C#CCCC[C@H](NCCC)c1cccc2ccccc12 134010922 PUJNQUYELNNWFG-IBGZPJMESA-N 265.400 4.684 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCO[C@H](c2ccccc2)C1 155238022 JXDLURWKBLXCEV-FHWLQOOXSA-N 287.447 4.631 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@H]1Nc1cc(Cl)ccc1C#N 155868701 LHEBDYNISZCLTG-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE C=C(C)CCOc1ccc([C@@H](C)NCCC)cc1Cl 164408173 JKZMZGHTXFVTTM-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCCCC(=O)Cc1ccc(Cl)s1 167999801 IWSQJCXSCILTFV-UHFFFAOYSA-N 258.814 4.874 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 221775683 QIIVKPLOZAOAFQ-LNMJFAINSA-N 284.447 4.670 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](N)c2cc(F)ccc2O1 229047117 RJJYDZMVKZXOSP-DOTOQJQBSA-N 279.399 4.727 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 229908440 OQQCEDMPVPXGTN-UWVGGRQHSA-N 288.193 4.585 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(Cl)cc1C 233548721 ZJPRMURQIAMQDZ-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@H](NC)c1ccccc1Cl 234442350 ULHCOHBUFAYKGD-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1C#N 235537975 OOYFSXCMNWKMJF-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1O2 250831001 RDNQJJVPRMAKKH-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@H](C)c1ccc(Cl)cc1 251312012 KHJURMNDBVSSDR-OCCSQVGLSA-N 285.884 4.535 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CSc3ccccc32)C1 252630365 ABEMLAMCHGISHL-JKIFEVAISA-N 271.429 4.986 30 10 CJEE CC(=Nc1ccccc1C(F)(F)F)c1nc(C)cs1 254318018 MDUPORPSSBHOKN-UHFFFAOYSA-N 284.306 4.611 30 10 CJEE Cc1ccsc1C=Nc1ccccc1N1CCCCC1 254445604 AETRCLANVOSPSN-UHFFFAOYSA-N 284.428 4.797 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1ccc(F)cc1Cl 310123422 VNPXWBUMXARZNV-GXFFZTMASA-N 253.748 4.768 30 10 CJEE CC(C)(C)C#CCNc1ccccc1-c1ccccc1 312359327 WAQGRWYOIKUKJF-UHFFFAOYSA-N 263.384 4.815 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2cc(C)c3ccccc3n2)C1 312661545 MIEHFOLXVLJZCC-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2OC)C1 316775729 FMQWMXZQYRRYFX-GUYCJALGSA-N 294.822 4.677 30 10 CJEE CO[C@H]1CCC[C@H](C2(C=O)CCC(C(C)(C)C)CC2)C1 316930478 YDQNRQLUQZFGTM-LPMVOBIJSA-N 280.452 4.613 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cccc3ccccc23)C1 317703710 KWLZWJSMQKWQIG-HNAYVOBHSA-N 266.384 4.778 30 10 CJEE CC(C)NC[C@H]1CCC(C)(C)C[C@@H]1CC#CC(C)(C)C 379883328 UFNWROXWVUHZFO-DLBZAZTESA-N 277.496 4.867 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1c(C)cc(C)cc1C 386778328 KVUSRXYHSGEMEF-KRWDZBQOSA-N 273.464 4.735 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2c(Cl)cccc21 393813945 FQTDOEULNLITRV-SECBINFHSA-N 266.797 4.506 30 10 CJEE CCC[C@](C#N)(Nc1ccc(C)cc1)[C@@H]1CC1(C)C 397686258 LPKBWATYLPJHAA-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE C=C[C@H](C)ON[C@H](C)c1ccc(-c2ccccc2)cc1 400825107 KESPYPBXRIDNGC-LSDHHAIUSA-N 267.372 4.510 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NN 402383555 MKWGEXHOXLMJHR-XLAORIBOSA-N 278.484 4.561 30 10 CJEE C[C@@H](CC(F)(F)F)C[C@@]1(C#N)CCCc2ccccc21 402525597 RADNBINTJWEAQW-IUODEOHRSA-N 281.321 4.763 30 10 CJEE CCC(C)(C)c1ccc(OCC2(C#N)CCCC2)cc1 405181743 XDAAPCNHSCJTJH-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE CCCCCCCCC[C@H](O)C1CCC(OC)CC1 686317241 CKYZHESPEDVBJP-JCYILVPMSA-N 270.457 4.693 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCCC1(C)C 686695476 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4.561 30 10 CJEE C=CCCCCCCCN1CCC[C@@]1(C)P(C)(C)=O 2227514778 BHTCXTANAQXCAH-MRXNPFEDSA-N 285.412 4.948 30 10 CJEE CCc1ccc(C#CCC2CC(=C3CCC3)C2)cc1 2231130175 UCMYIWCLXDCVEC-UHFFFAOYSA-N 250.385 4.881 30 10 CJEE C=CCN(Cc1ccc(C2CCC2)cc1)C(C)(C)C 2231631311 STPJQRDNRZTHOL-UHFFFAOYSA-N 257.421 4.741 30 10 CJEE CC(C)P(=O)(CCCOc1cccc(C#N)c1)C(C)C 2232435089 SNYWFLDQIABWIJ-UHFFFAOYSA-N 293.347 4.507 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@]12CCCC[C@H]1CCC2 2233783063 SBVVGYWNLWGWEH-SCTDSRPQSA-N 275.480 4.765 30 10 CJEE C=CCCCCOC[C@H](NCCC)c1ccccc1Cl 2234040653 HDZBMZRAYISSCR-KRWDZBQOSA-N 295.854 4.754 30 10 CJEE C=CCCCCCCC[C@H](O)CC[C@@H]1CCC[C@@H](N)C1 2235519602 RKWHKDWTHQODNR-KSZLIROESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1CCC=CO1 2235524829 UNSFDSPDUMPKKC-MSOLQXFVSA-N 279.468 4.964 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@@H](C)[C@H](C)C1 2235541313 GZMIZRCJPBFCGJ-NUJGCVRESA-N 280.452 4.659 30 10 CJEE CCCCCCCCCCCCC[C@@H](O)C#CCOC 2235926761 YPHJFBONVUVSDD-GOSISDBHSA-N 282.468 4.698 30 10 CJEE CCCCCCCCCO[C@@H]1[C@H](NC)C[C@@H]2CCC[C@H]21 2239447960 FCOUBRJPGNBCMJ-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCCCOCc1ccc(CN)o1 2239555222 TYQXDYZUEFBUAQ-UHFFFAOYSA-N 281.440 4.786 30 10 CJEE C=CCC[C@@H](C)Oc1cc(Cl)ccc1CN[C@H](C)CC 2240188338 DLQQWCQBEFKTBU-ZIAGYGMSSA-N 295.854 4.962 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)C1CCCC1 2240564062 ZLRNCWCJPRUEBM-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)C[C@@H](C)C(C)C 2240575504 VDDHNNVXJHPZEE-MSOLQXFVSA-N 284.532 4.678 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@H]1CCc2cccnc21 2240628119 LFEOCRIVPQZNHB-FUHWJXTLSA-N 274.452 4.579 30 10 CJEE C=CCCCC[C@H](NC)[C@@](C)(O)CCCCCCCC 2240654744 VHCVNLIKIIPXCI-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CC1(C)CC1)NCC 2240667039 SANMGMWYQVQGCF-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE C[C@H]1CC[C@@H](CSCC2(C#N)CCCCC2)C1 2248417617 IBEQMRFLOFGDOX-UONOGXRCSA-N 251.439 4.630 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC[C@H]2CCC[C@@H](C)C2)C1 2253994476 FGRULQHAGNJRKU-YYIAUSFCSA-N 250.426 4.988 30 10 CJEE C=C1CCC(C[C@@H](O)c2csc(C3CC3)c2)CC1 2256046781 NCKMFYAPUMVRDJ-OAHLLOKOSA-N 262.418 4.795 30 10 CJEE C=C[C@H](C)C[C@H](CCCCC[C@@H]1C[C@@H]1C)NCC 2257240727 LMZQYGFWUXPGOF-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCCS[C@@H](CCCC)C(=O)O 2258978388 KUGNVNPBWBOALC-AWEZNQCLSA-N 272.454 4.890 30 10 CJEE C=CCCSc1c(C)sc(CN[C@@H](C)CC)c1C 2258981526 PNWFMIZKLGDLJT-NSHDSACASA-N 283.506 4.921 30 10 CJEE CC#CCCCC[C@@]1(O)CC(C)(C)CCC1(C)C 2261394062 BSUALVXUAQYJBL-QGZVFWFLSA-N 250.426 4.538 30 10 CJEE CN(CCCCCCCS)[C@H]1CCC2(CCC2)C1 2263209133 IQODLAIFWPKQLM-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC[C@H](C)OC 2263671898 RZDABOGLAFVTAQ-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@H]1CCC[C@H](C)C1 2265038067 KPFFRKBCMBZVCR-XOYOTBSWSA-N 261.453 4.776 30 10 CJEE C=CC[C@](C)(NCC[C@H]1CCC[C@@H](C)C1)C(F)(F)F 2265094636 UHJMTLQPPSCYNR-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCC[C@@H](CC)CNc1cc(C)c(C#N)c(C)c1 2265848972 XYNXDDCLWHIVQW-OAHLLOKOSA-N 258.409 4.803 30 10 CJEE CC1(C)CC[C@@H]1C[C@@]1(C#N)CCCc2ccccc21 2266263723 MIJHZXWALKSIEF-CRAIPNDOSA-N 253.389 4.611 30 10 CJEE C=CCCCCCC[S@](=N)(=O)CC1(C(F)(F)F)CC1 2266521594 FYSPOBPOALOZNO-IBGZPJMESA-N 297.386 4.512 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(F)c(C)c1 2266558269 YMNHWZCNBJISTL-OAHLLOKOSA-N 265.416 4.973 30 10 CJEE N#Cc1ccc(NCC[C@@H]2CCCC23CC3)cc1Cl 2266655903 GTXFSUDYPYZYAQ-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](N)CC=CC#CC(C)(C)C)C1 2268749154 XJLQEYPYNSOHFD-ZACQAIPSSA-N 261.453 4.526 30 10 CJEE Cc1cc(Cl)ccc1[C@H](N)CC=CC#CC(C)(C)C 2268767520 SMYPAKGGKKOZDU-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H]2CC[C@H]1C[C@@H]2N 2269475094 QDTHYSWPTGZPSN-QZWWFDLISA-N 269.448 4.983 30 10 CJEE Cc1cc2sccc2c(C(=O)C2=CC[C@H](C)CC2)n1 2270625854 NURZRHLBBRYURV-JTQLQIEISA-N 271.385 4.534 30 10 CJEE C=CCCCSC[C@@H](NCCC)C1C(C)(C)C1(C)C 2271488359 DOLNFZPNNOANQM-CQSZACIVSA-N 283.525 4.736 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CC12CCC(F)(F)CC2 2271748002 QIAHRHDDQCXRRC-ZDUSSCGKSA-N 270.363 4.908 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](C)[C@@H](C)CS1 2272260185 IOOBUKYGCWCYHU-SOUVJXGZSA-N 284.513 4.556 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H](CC)CCC 2274109570 CYEWYVAKUATPEC-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@@](C)(CCC=C(C)C)OCCN 2276220155 KQMTWTYNINJBFK-KRWDZBQOSA-N 267.457 4.603 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@@H](C)CC1 2276760735 DRUWEXIIFYNOPA-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](C[C@H](C)CC(C)C)OCCN 2276777608 DAMRWCSHOLKFBU-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CCCC[C@@H](CC)CSCc1cc(C#CCO)cs1 2278254990 HLANQBKOXNCVDK-CQSZACIVSA-N 296.501 4.542 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(OCF)cc1 2278479910 ZZPMNNGZDXXTFB-MRXNPFEDSA-N 268.372 4.776 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)c1cc2ccccc2s1 2280179232 SUGLMRBBFKEPQM-YOEHRIQHSA-N 291.460 4.623 30 10 CJEE CCCCCCCCOc1cc(C)c(CCN)c(C)c1 2282936879 WHQSCPUMHLCTFP-UHFFFAOYSA-N 277.452 4.544 30 10 CJEE CC(C)C(C)(CN=C1N[C@H]2CCCC[C@H]2CS1)C(C)C 2283822021 WHQHNIINAQMIKJ-GJZGRUSLSA-N 296.524 4.556 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C12CCC(CC1)CC2 2284169487 KUXNIYGOHAOKMF-TVRKMHQQSA-N 273.464 4.541 30 10 CJEE CCC1(OCCCCC[C@@H]2C[C@@H]2C)CCC(=NO)CC1 2284938130 FYSZDFHNBPNUHF-BTPDTDQASA-N 281.440 4.772 30 10 CJEE CCCCCCCCCNCc1cccc(C)c1OC 2285207330 WRJISXGQEANFON-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE C=C(C)CN(CC)CCCCCCCCCCCCO 2289428746 YJCBZUXOCAUFHG-UHFFFAOYSA-N 283.500 4.778 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2289768721 UGXGCZNDTGEFKW-OKZBNKHCSA-N 272.432 4.746 30 10 CJEE CCCCCCCCCCC[C@H](N)c1nn(C)cc1C 2290186237 UHZMOUJYESJJNA-INIZCTEOSA-N 279.472 4.649 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1ccccc1Cl 2290917038 FKUAKOVLIUZUHE-OAHLLOKOSA-N 298.810 4.843 30 10 CJEE C/C=C/CCC[C@@H](CCCCCCC)OCCC(=O)O 2291382154 ZSONFMZHIGDPKV-NBUZRDOWSA-N 284.440 4.953 30 10 CJEE CCCCCCCC1(OCC(=O)O)CC(CCCC)C1 2291795193 AINUICHJJAHFDR-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](C[C@H](C)C(C)C)OCCC(=O)O 2292424722 GPJCJUOCHFVBNE-JKSUJKDBSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC1(C)C)OCCN 2292755721 ATTBVHMFLBJKEJ-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(C)c(Cl)c1 2293141873 MHMFLWTYDQWABE-WMLDXEAASA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)c1cocc1C 2293442597 IHLYKLWPMFLQQC-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)CC[C@@H]2C[C@H]21 2293459381 LQOOUZAUAMXSKS-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@](CC)(OCCCN)c1ccco1 2293654491 HNQBJNPGXSOKKC-QGZVFWFLSA-N 281.440 4.611 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCC2(CC2)C1 2293872305 BSIOPUWBQVWPKM-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](OCCN)c1csc(C(C)C)n1 2294367594 LVQHITAQUDEJQS-HNNXBMFYSA-N 298.496 4.643 30 10 CJEE C=CCCCC[C@@](C)(OCCCN)C1(C)CCCCC1 2294402581 LLKTYUMQVNJMBB-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@H](NCC)C1 2295519189 DIFAMFVMPLQBSG-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCC(CC=C)OCc1cccc(C)c1Br 2298831166 AEGGAWDCOBGGMB-UHFFFAOYSA-N 295.220 4.795 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)sc1C 2304045862 KDRWUSJWFRJMQY-CABCVRRESA-N 251.439 4.618 30 10 CJEE C[C@H](CCSC[C@](C)(CS)C(C)(C)C)C(F)F 2307233580 HVJHBQCLMYELHL-MFKMUULPSA-N 284.481 4.993 30 10 CJEE N#CC1(c2ccc(Cl)c(F)c2)CCCCCCC1 2315350937 ISJFSRDAKASIQW-UHFFFAOYSA-N 265.759 4.985 30 10 CJEE C=CCC(CC=C)[C@H](O)C1CC(CC(C)(C)C)C1 2316753547 ZTKVBXFNXWTQQQ-BCLQGDPASA-N 250.426 4.578 30 10 CJEE CC(=NOCc1ccccc1C)c1ccc(Cl)cc1 2318633814 PUEJDGAYJRYUDR-UHFFFAOYSA-N 273.763 4.589 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(SC)c1 2321113476 OSXONDRILYJXJJ-OAHLLOKOSA-N 263.450 4.661 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C(F)(F)F)s1 2321176475 DHCDJKHTCIGLSQ-LBPRGKRZSA-N 276.323 4.942 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1cccc(Cl)c1C(F)(F)F 2321220198 PZLGKRHOPVLCDP-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@]12CCC[C@@H]1CC2 2334780012 LICGEVDZGYDMTJ-BRWVUGGUSA-N 266.473 4.539 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CC[Si]2(CCCC2)CC1 2337075509 DQYMUQDNBBONOB-WBVHZDCISA-N 277.528 4.726 30 10 CJEE C=CCCCCOCCCCCCCN[C@@H](C)CC 2337926505 XZUCZGIZILNFBN-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2C=C[C@H]1CCC2 2338625182 JRYMWSJELLRPJM-KURKYZTESA-N 261.453 4.977 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(N)c(C(F)F)c1 2339101775 METWXLMNMNXURX-NSHDSACASA-N 269.335 4.720 30 10 CJEE CCCC[C@H](C)CC[C@H](C#C[C@@H]1CC1(C)C)NCC 2339581886 LZOFTIZLKLJAST-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE C#Cc1ccccc1NCc1ccc(Cl)c(Cl)c1C 2339972000 SPERKFQLEQSXCY-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=C1C[C@@H]1[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2341891234 CFNJXDSNNGAKEP-ZFWWWQNUSA-N 298.257 4.789 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCCC 2342281827 UCAVBQBZGYDRSA-OWLYRPNTSA-N 263.469 4.783 30 10 CJEE C=C[C@@](N)(CC)C[C@@H](c1ccccc1)C1CCCC1 2342486136 RWYOFNFHYAIQHY-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(C#N)CCCOC1(C)C 2343241865 PTRHNUCEHKKFJE-CKEIUWERSA-N 263.425 4.548 30 10 CJEE C=C(CC)C[C@](O)(CC)c1ccc(C(F)(F)F)cc1 2343779598 QQYXURORMKXVDN-CQSZACIVSA-N 272.310 4.659 30 10 CJEE SCC1(CO[C@H](CC2CC2)C2CC2)CCCCCC1 2343836028 MPCJBLGAGQCWGJ-MRXNPFEDSA-N 282.493 4.852 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NC 2344341927 GBVVZUACFHYUJI-PNKHAZJDSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc2c1CCCC2 2344343904 GGTMSJYFUKBETM-ROUUACIJSA-N 257.421 4.558 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1C[C@H]1C1CC1)NCCC 2344345317 MPFRBMUXJIQMGY-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)cc1F)NC 2344394307 BLHIMILRJQJRJR-JKSUJKDBSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1cc(C)cc(C)c1C 2344460073 NZBUYEGBEANRLR-QZTJIDSGSA-N 260.421 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC(C)(C)c1ccccc1 2344468903 RKNGZGQYGBNXTN-FUHWJXTLSA-N 260.421 4.708 30 10 CJEE CCCC1CCC(C=O)(C2CC3(CC(F)C3)C2)CC1 2344737734 YAESYWCDTFWCQR-UHFFFAOYSA-N 266.400 4.690 30 10 CJEE C#CCCCCCCC(=O)Nc1cccc(Cl)c1C 2352583655 VOONRLSGXBHBPL-UHFFFAOYSA-N 277.795 4.561 30 10 CJEE CSc1cc(Nc2cc(Cl)ccc2F)ccc1C#N 2353833050 YUIROYQMCMJOOL-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE Cc1ccc2nc(SC[C@@H](CS)CC(C)C)[nH]c2c1 2353845639 OUSZMZDKADSHJU-GFCCVEGCSA-N 294.489 4.556 30 10 CJEE C=CC[C@@H](C)SCc1cc([N+](=O)[O-])ccc1NCCC 2360356083 TZKCHXJJGMIKAL-GFCCVEGCSA-N 294.420 4.615 30 10 CJEE C[C@H](/N=C\c1ccc(Br)cc1)c1ccccc1 3123376 PHNRFDACGLJKJT-UEMWTREESA-N 288.188 4.629 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccco2)C1 37156298 RXNOYKQLOISFSQ-VNHYZAJKSA-N 263.406 4.621 30 10 CJEE Cc1cccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)c1 37282079 WTFMPDRAWWDVAG-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1ccccc1[C@H](C#N)Cc1ccc(C(C)C)cc1 41357488 MAQZNUWIHFMBMU-SFHVURJKSA-N 263.384 4.968 30 10 CJEE N#C[C@@H](CCCOc1ccc2c(c1)CCC2)c1ccccc1 57684504 PWHMYCVQKQRDRO-LJQANCHMSA-N 291.394 4.642 30 10 CJEE COc1ccc(C)cc1C[C@@H](C#N)c1ccc(Cl)cc1 57762076 MUKYWZXVOITTSA-HNNXBMFYSA-N 285.774 4.507 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2c(c1)OCCO2 59089842 GQZXQASUPILRMC-AWEZNQCLSA-N 277.408 4.619 30 10 CJEE CC[C@@H](CC1CC1)Nc1ccc(C#N)c(C(F)(F)F)c1 70104480 ZNEALVFBPZHVMV-LBPRGKRZSA-N 282.309 4.568 30 10 CJEE C=C(C)CN(CC)c1ccc([C@H](C)NCCC)c(Cl)c1 78902906 KJFISGYOLVYHJJ-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE Cc1cc(C)c(OC(C)C)c(C(=O)/C=C/c2ccco2)c1 83193857 HGQBZKZTKPQKIO-BQYQJAHWSA-N 284.355 4.580 30 10 CJEE CCC(CC)(CS)CSc1ccccc1F 87096282 QLPDKOSLHPSYDC-UHFFFAOYSA-N 258.427 4.654 30 10 CJEE CC1(C)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 87658062 CVKXODBBWMTYAK-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCCCC[C@H](O)C1(C#N)CCC(C(C)C)CC1 91884830 ZCOLLBZRVVLFJK-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@]2(O)CCCC2(C)C)CC1 94314024 MJSRABZIJSKLSP-IUPXNIOVSA-N 277.452 4.674 30 10 CJEE C=C[C@H](NCCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547370 AKCDFXWMSVFZOY-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE CCCC(CS)(CCC)COc1ccc(C)cc1 94583535 KGKCZVSMTLSHEU-UHFFFAOYSA-N 266.450 4.890 30 10 CJEE C[C@H]1CCCC[C@@H]1OCC1(CS)CCCCCC1 94583654 RRXJAKKMIFNIFO-GJZGRUSLSA-N 270.482 4.852 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 96887849 MDABFEHZVKPGSP-PKNBQFBNSA-N 294.394 4.988 30 10 CJEE C=C(CC)C[C@@H](NCCC)C(C)(C)c1ccc(F)cc1 97208829 QMFIQRNHCOQVCK-QGZVFWFLSA-N 277.427 4.828 30 10 CJEE CCCCCCCn1cc(C#N)c2cc(F)ccc21 107042806 UYCQAIVRQLCKJY-UHFFFAOYSA-N 258.340 4.622 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1NCCC 110081260 IJBVUQBIXOTSGB-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCNCc1ccc([N+](=O)[O-])cc1 110164116 LMEJAASPJOQUJB-UHFFFAOYSA-N 292.423 4.825 30 10 CJEE CCCCCCCCCC[C@@]1(CNCCC)CCOC1 110213369 SZLPPOHIZBZCKR-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCN(c1ccccc1C)c1ccc(Cl)cc1C#N 110252525 GDUXXCBXIYZWEP-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1C 110253387 HFJOFXMRGBYZGQ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCN(c1ccc(C#N)c(C(F)(F)F)c1)C(C)C 110256317 HUJAZFLPONLHTR-UHFFFAOYSA-N 298.352 4.982 30 10 CJEE CCCCCC[C@@H](C)Oc1cc(Cl)ccc1C#N 110261700 GIBPIKMTXBNPJT-GFCCVEGCSA-N 265.784 4.949 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccc(F)cc1)NN 125514054 RRIQFYOFHIBCIW-SFHVURJKSA-N 294.458 4.731 30 10 CJEE CCCCCCCCCCn1c(N)nc2c(F)cccc21 129442878 VJTPIOSTXGCVSD-UHFFFAOYSA-N 291.414 4.898 30 10 CJEE CCCCCCCCCCC[C@H](N)CCc1nccn1C 131306244 XMGYZMKESWFKGW-KRWDZBQOSA-N 293.499 4.601 30 10 CJEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134662537 UAUSUEMRSFRKRD-QWRGUYRKSA-N 290.819 4.685 30 10 CJEE CCSc1cccc(Nc2cccc(CC)c2)c1C#N 136614248 PCDANKPIHDIZRG-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2cccc(SC)c2C#N)[C@@H]1C 136672945 HTMVRRPEORDTJG-YRGRVCCFSA-N 274.433 4.517 30 10 CJEE CCCCCCCOC[C@@H](NCCC)C1CCCCC1 157542662 KXXGYGORFCVBKH-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(CC)OCC 160613395 GDRVAGWWXNXJIK-INIZCTEOSA-N 256.430 4.901 30 10 CJEE C=CC[C@H](C)N[C@@H]1c2cc(Cl)ccc2CC1(C)C 162617807 SNFQBLYJQSQOFF-XHDPSFHLSA-N 263.812 4.518 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@@H]1O 164273467 SDCVCUGOCVDABC-IPELMVKDSA-N 290.447 4.973 30 10 CJEE C=C(C)CCSc1ccc([C@@H](C)NCCC)cc1 164862666 ANLYSGRLGLFKSP-CQSZACIVSA-N 263.450 4.806 30 10 CJEE N#Cc1ccc(SCC2CCCC2)c(Br)c1 213454223 RZLLFSYGBQLJPP-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cn(C)nc1C 227451771 DVVJIRJXRSGTFX-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE C=CCC[C@@H](C)NC(c1ccccc1)c1ccccc1 228817687 GHNIRRSIBSGYTD-MRXNPFEDSA-N 265.400 4.720 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc(OC)c1F 229062529 ATWIBTJJBIWBFG-CQSZACIVSA-N 267.388 4.585 30 10 CJEE CCCCCCCCCN(CCCN)Cc1ccccc1 230026858 XQSAFAZXJZJZAQ-UHFFFAOYSA-N 290.495 4.588 30 10 CJEE CCCCCCCC(=O)c1cccc2ccncc12 232000206 AHXZDTWWLHUWMM-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccnc(C)c1 232928108 BNYSAHVKRORCGH-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCC[C@@H](C)Nc1ccc(C#N)c(F)c1F 232955405 YROSZYZPZYTLGY-LLVKDONJSA-N 266.335 4.607 30 10 CJEE CCCCCCCCCC[C@@H]1COCC[C@H]1NCCC 232955893 IOWRNEVVENNASE-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(F)cc2Cl)c1C#N 235538087 YQUNIZGYORXWLI-NSHDSACASA-N 288.753 4.832 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2Cl)c(F)c1F 236215178 SDJKBRIGLBBMOS-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Br)cc1 236302760 QWUGUSNPTXOONY-AWEZNQCLSA-N 282.225 4.585 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@]1(C)CC 250811296 HLOAJBAOCVIJJF-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCCN1C[C@@H](CC(C)C)NCC[C@H]1C 250818296 KANDZXPODHTCOD-RTBURBONSA-N 296.543 4.836 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)[C@@H]1CCCCC[C@H]1C#N 251514328 JFKXAGZZUPAWIN-UKPHBRMFSA-N 290.838 4.805 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@@H](S[C@H]2CCC[C@@H](C)C2)C1 251849073 OVDLISIFOYVFJU-TWMKSMIVSA-N 294.508 4.501 30 10 CJEE FC(F)(F)Oc1ccccc1C=Nc1ccc(Cl)cc1 254583424 PQWYLCXIOHJKFP-UHFFFAOYSA-N 299.679 4.989 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(F)c1 307909954 UNDKYFKKEAUDHM-HOCLYGCPSA-N 274.383 4.714 30 10 CJEE C=C([C@H](NCC)[C@H](CCC)CC(C)C)C(F)(F)F 308062577 VTQAXSDVLTYTLO-OLZOCXBDSA-N 265.363 4.545 30 10 CJEE N#Cc1cc(F)ccc1N[C@@H]1CCCC12CCCCC2 313023199 ZSURIXQZBSWDIC-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)c2sccc2F)cc1 313186398 WKNYAVFUKXVPJV-ZDUSSCGKSA-N 287.359 4.501 30 10 CJEE CC1(C)C[C@@H](C2(C=O)CCCCCCC2)C(C)(C)O1 317025253 UKQLVZGBVFQSAG-CQSZACIVSA-N 266.425 4.510 30 10 CJEE CCCCCCC[C@H](C)NCc1csc(CC)n1 328198322 FKNRGMCKGNZNNS-ZDUSSCGKSA-N 268.470 4.544 30 10 CJEE CCCCCCCCCS[C@@H](C)CCC(=O)O 385988190 KIKHKCASGWHYTB-ZDUSSCGKSA-N 260.443 4.724 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1CCCC(F)(F)C1 386916011 CWPNAOLEPYCRSL-CABCVRRESA-N 273.411 4.640 30 10 CJEE C=CC[C@H](CNCCC)Cc1ccc(C(C)C)cc1 387071054 YBEWDVLVONDEJM-KRWDZBQOSA-N 259.437 4.544 30 10 CJEE C=C(COCCC)[C@H](NCC)c1csc2ccccc12 387489306 YNLBEIDWWJVDTC-KRWDZBQOSA-N 289.444 4.535 30 10 CJEE C=CCCCCN[C@@H](C)CC(C)(C)c1ccccc1 389173537 JCGCSOINQVOBFC-INIZCTEOSA-N 259.437 4.689 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 398054194 CPOHFUVESLOGLX-CHWSQXEVSA-N 283.362 4.683 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 398084029 TWEJXWGABJIAPM-QLFBSQMISA-N 273.420 4.583 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H](CC)CC(F)(F)F 402754586 WUEVUBBJXOYWQL-STQMWFEESA-N 265.363 4.690 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1N 403884152 ZTAXJBWKZRINNB-ARFHVFGLSA-N 281.484 4.538 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](C)OCc1ccccc1 404378734 MGLIVZHCBTZRFP-PKOBYXMFSA-N 291.479 4.930 30 10 CJEE C=CC[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 405948540 DNTLGBFBACIXMX-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 410895790 ZESHBFWHYQINDE-HOTGVXAUSA-N 273.420 4.587 30 10 CJEE COc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 514260184 BRMNWLUNHZZDMY-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C#CCCCCCC1(CNC)CCC(CCC)CC1 686695473 MEHXQQYXIUUADB-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C#CCCCCCC1(CNCCC)CCC(C)CC1 686708585 JREXOJOOSKWGMS-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C#CCCCCCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 686899150 YACRDYHNQGQSRK-BRWVUGGUSA-N 250.426 4.657 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1OC 689928097 LCKUZZVHECYMRY-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1csc(C)c1 692272219 LGPRNOHDTUHCAN-IIAWOOMASA-N 263.450 4.842 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@]1(C#N)C[C@H]2CC[C@H]1C2 694111720 ZRENBEKVHBJNMX-GMXVVIOVSA-N 259.315 4.685 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@H]1CCNC1 695294239 JJUQWAPNSYSBPL-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@@H](C)CO 696759866 SIPVWFDBZCBEAL-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@H](CC1C[C@@H]2C[C@H]2C1)NCC 698111357 ZREXSWFQJBUFJK-BRWVUGGUSA-N 251.458 4.761 30 10 CJEE CC1(C)CCN(CCCCCCS)CC(C)(C)C1 699667608 ZRJBOMGSSKSAFZ-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C#C[C@H](Nc1nc(Cl)c(Cl)cc1Cl)C(C)(C)C 702304101 FCQIUQZOXFPLJW-VIFPVBQESA-N 291.609 4.502 30 10 CJEE CCCCCCCNc1nccc2c(OC)cccc12 703724343 UKNWKVDLEPMGMW-UHFFFAOYSA-N 272.392 4.626 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(C)(C)C 705247811 UQYDEOGEDYYOGQ-QMTHXVAHSA-N 284.230 4.692 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccc(Cl)cc1 709512840 MPDUNVHVPCZYRL-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 710640144 FMQIJXGSYRYWTG-HUUCEWRRSA-N 271.876 4.817 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 710642721 CLENCVJLZFLFDS-KFWWJZLASA-N 271.876 4.817 30 10 CJEE C=CCC1(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 712983608 MIHKPDKXHRFQMR-UONOGXRCSA-N 289.385 4.834 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 715023920 PWZQYKZAUBYWNP-PRHODGIISA-N 278.701 4.604 30 10 CJEE C#CCCCCCC(=O)c1cscc1C(F)(F)F 717197211 GUJLIOGDDMGQBO-UHFFFAOYSA-N 274.307 4.533 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](C)[C@H]1CCCO1 720221683 GNQJEHXUXFPWDR-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCN(c1cccc(Cl)c1CNC(C)C)C(C)(C)C 723204052 QTIXZSHJJCECGK-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE C=C1CCC(C[C@]2(CNCC)CCCC[C@H]2C)CC1 724554128 TZAKTNMNXGLZGH-AEFFLSMTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H](NN)c2cc(Cl)cc(Cl)c2)CC1 724578395 CSPASQOMZZRPDH-OAHLLOKOSA-N 299.245 4.634 30 10 CJEE C=C1CCC(C[C@@H]2CCc3ccccc3C2=O)CC1 724583388 MHQYXRDDZKKGGN-INIZCTEOSA-N 254.373 4.568 30 10 CJEE C=C1CCC(CC(=O)C2CCC(F)(F)CC2)CC1 724595118 MHAQJTVXFNKJPB-UHFFFAOYSA-N 256.336 4.518 30 10 CJEE C[C@H](/N=C1/N[C@@H](C2CCCCC2)CCS1)C1CCCC1 725105893 RKWUTRPESNMTKE-XJKSGUPXSA-N 294.508 4.597 30 10 CJEE CCCCCCCc1ccnc(-c2cc(C)ccn2)c1 725381950 GABFHWPJKAOBMR-UHFFFAOYSA-N 268.404 4.965 30 10 CJEE CC(C)(C)c1cc(C#N)ccc1OC1CCCCC1 725433827 LJUMRUYJTRMRDN-UHFFFAOYSA-N 257.377 4.567 30 10 CJEE C#CCN(C(=O)Nc1ccccc1C(C)C)C1CCCCC1 731899501 INSMFLMZXYFTMB-UHFFFAOYSA-N 298.430 4.610 30 10 CJEE SCCCCCCSCc1ccc(Cl)o1 757169813 MKIUGELHELUWJI-UHFFFAOYSA-N 264.843 4.656 30 10 CJEE C#Cc1cccc(N(C(=O)CCCCC(C)C)C(C)C)c1 1125773578 RITUHSSXVQKDSB-UHFFFAOYSA-N 285.431 4.626 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 1131134944 RLQXIMMGMJXJAS-RTBURBONSA-N 292.378 4.577 30 10 CJEE C#Cc1ccc(NC(=O)c2c(C)ccc3cc(C)ccc23)cc1 1134903847 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30 10 CJEE C=CC[C@@H](C=C)OCCC(CC)(CC)CN[C@@H](C)CC 2238495497 CBMCOVRGJFFORS-DLBZAZTESA-N 281.484 4.718 30 10 CJEE CCCCCC#CC[C@@H](N)C1(C)CC2(CC(F)(F)C2)C1 2239169983 UZPUZJPPGPJPOA-CQSZACIVSA-N 283.406 4.503 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)CC)nc1 2239444319 AAMOTBQTKOUTBT-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](N)c1c(F)cccc1Cl 2239488722 BUWAVAGPFSVNDQ-IUODEOHRSA-N 299.817 4.630 30 10 CJEE CCCCCCCCCCO[C@]1(C(=O)O)C[C@H](C)[C@@H]1C 2239505133 WEGOLWLSUDKVHS-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE CC(C)c1ccc([C@@H](O)C#Cc2cccc(Cl)c2)cc1 2239562228 IBVKZFWARSTLLU-SFHVURJKSA-N 284.786 4.549 30 10 CJEE CCCCC[C@@H](C#Cc1ccc(CC)cc1)NCCC 2239744180 VNAKCCPLQKIMRJ-IBGZPJMESA-N 271.448 4.549 30 10 CJEE O=C(C=Cc1ccccc1)c1ccc(C2CCC2)cc1 2240371635 WMFSIOAKXWERSF-UHFFFAOYSA-N 262.352 4.850 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC1CC(CC)C1 2240644724 MMPNKCOOSYPOCH-FOIPXRHGSA-N 283.500 4.642 30 10 CJEE C=C([C@@H](NCCC)c1ccc2occc2c1)C(F)(F)F 2241184779 LMSACKXUSBMZTI-CQSZACIVSA-N 283.293 4.592 30 10 CJEE CC=CC(=O)c1c(Cl)cc(Br)cc1Cl 2241509244 NWHHDLGMSQUTRD-UHFFFAOYSA-N 293.975 4.515 30 10 CJEE C=C(C)CCCCc1cccc(Br)c1 2241942075 QZPLTDCGRPUCTQ-UHFFFAOYSA-N 253.183 4.738 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)cccc1Cl 2250133869 RXDRYMRIAAJRQM-ZDUSSCGKSA-N 255.764 4.615 30 10 CJEE C=C(C)CCCCN(C)Cc1sc(C)c(C)c1C 2259179040 MKCIEPYDZHKCRM-UHFFFAOYSA-N 265.466 4.852 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@H](C)Sc2sccc21 2259189988 IABYHHDXOCKVAM-WFASDCNBSA-N 282.474 4.957 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cnc(C(C)(C)C)s1 2259201381 BTOHMYNIVVPFBF-GFCCVEGCSA-N 267.438 4.611 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(F)ccc(Cl)c1F 2259203960 WODBWGYUDDYLBT-GFCCVEGCSA-N 274.738 4.788 30 10 CJEE C=CCCCSCC[C@@H]1CCCC[C@@H]1NCCC 2260265137 AQZYESADAGOTTE-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C[C@]1(C2CCC2)CCCN1CCCCCCCS 2263207750 ZKHOVPVMOCXBGY-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE C#CCCN(CC[C@@H]1CCC[C@@H](C)C1)CC(C)(C)C 2265025900 JTLXCBOVEGMRHE-SJORKVTESA-N 263.469 4.574 30 10 CJEE Cc1cc(N[C@@H](C)CC2CCCC2)cc(C)c1C#N 2265860140 YKTKJEOPQAKNBW-AWEZNQCLSA-N 256.393 4.556 30 10 CJEE C=C1CCC(CN(C)CC[C@@H]2CCCC23CC3)CC1 2266597857 UEUARKDUDJTNCA-KRWDZBQOSA-N 261.453 4.635 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CCCCCCC[C@@H]1O 2268787586 VTHMZEURUPNTJW-SJORKVTESA-N 262.437 4.704 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc2nc[nH]c12 2268908177 QHOQLCFEPHTOGG-ZDUSSCGKSA-N 259.397 4.724 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@]12CCCC[C@H]1CC2 2273317441 OGXFWTBVJPJYPD-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@]12CCC[C@@H]1CC2 2273323240 APBNITIYAQWQTP-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CSCC1(C[C@]2(C=O)CCC[C@@H](C)C2)CC(F)(F)C1 2273939263 FDDGYDUTZKAPCI-OLZOCXBDSA-N 290.419 4.550 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](N)(C#CC2CCCCC2)C1 2273987234 BKMJNRKRIZRPNE-ZWKOTPCHSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@](CC)(OCCC(=O)O)C(C)C 2275633800 YHHWZHQSNPBQRU-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C(C)(C)C 2276067180 ASUURQVCZMFLCC-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C(C)(F)F 2276630674 JOCQKRMHUCRAOC-CQSZACIVSA-N 279.415 4.516 30 10 CJEE C=C(F)C[C@@H](CCCCCCCCC)OCCCN 2276732258 ISRKVPFDPZKBPH-MRXNPFEDSA-N 273.436 4.734 30 10 CJEE C=CCCC[C@@H](OCCCN)c1cc2cscc2s1 2276911751 YYUZKGXQXUBLAO-CYBMUJFWSA-N 295.473 4.726 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277877338 DFHORKZGHGPDOB-BXKDBHETSA-N 291.382 4.938 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1CCO[C@@H]1C 2278167502 UKZBOWXVBMHESA-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)[C@@H](C)CC 2278244806 UFMBGEWONBNYDJ-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CC(C)[C@H](CCC(F)F)Nc1cc(Cl)ccc1C#N 2278796482 FOOMPWSXIRCAFS-LBPRGKRZSA-N 286.753 4.693 30 10 CJEE C=CCCCCCCC[C@H](O)c1c(C)cc(N)cc1C 2280569922 FXXMLRBSMASZLT-KRWDZBQOSA-N 275.436 4.836 30 10 CJEE CC(=O)c1ccc(Oc2cc(Cl)cc(C#N)c2)cc1C 2285144355 RRZSLOUNUDKYTP-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE C=C1C[C@@H]1COc1cc(C)c(Cl)cc1[C@@H](C)NCCC 2286441088 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2293890571 QBNMODYRJRHDNI-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCCN)C(C(C)C)C(C)C 2293925494 VKZDHESJRWZJAQ-GOSISDBHSA-N 283.500 4.641 30 10 CJEE CCCCCCC[C@H](C[C@H]1C=CCCC1)OCCCN 2294127901 IRHDMEYSLWDVBM-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCC(=O)c1ccn(C(F)(F)F)n1 2295190326 CEEPBRLJJGCZMF-UHFFFAOYSA-N 290.329 4.683 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@@H](C)[C@@H](C)NC[C@H]1C 2295539899 ZZQYZYXSAMZDBU-MLHJIOFPSA-N 282.516 4.586 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]12C[C@H](CCO1)C2 2295675103 YBMXGCSYUIDQFY-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE C=CCC[C@H](C)[C@H](N)[C@@](C)(O)CCCCCCCCC 2295682825 URXFEJHISJAPKC-BZSNNMDCSA-N 283.500 4.808 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1COCCC1(F)F 2295688298 DGFZVHUXXYKLGK-HUUCEWRRSA-N 291.426 4.529 30 10 CJEE Cc1ccc(C(O)=CC=Nc2cccc(C)c2)cc1 2297322093 CCKAJWYAJHKEMP-UHFFFAOYSA-N 251.329 4.605 30 10 CJEE COc1ccc(C=C2C(=O)c3cccc4cccc2c34)cc1 2297450871 SYNLRRNEFSLTJB-UHFFFAOYSA-N 286.330 4.585 30 10 CJEE CC1CCC(CSCCCC(C)(C)C#N)CC1 2299030634 OIYXRHWPSWWGKX-UHFFFAOYSA-N 253.455 4.876 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(Cl)c(F)c1 2300097891 OWBXVEFEQZNSKS-UMNHJUIQSA-N 253.748 4.768 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ncccc1Cl 2307090894 RWRIKTAZWCYWDF-CYBMUJFWSA-N 289.897 4.809 30 10 CJEE CCCCCCCC[C@@H](N)[C@]12CCC[C@H]1CSC2 2311761463 PWIOKZWTTCHUAF-XHSDSOJGSA-N 269.498 4.598 30 10 CJEE CS[C@H]1C[C@@H](C[C@@]2(C#N)CCCCC23CCC3)C1 2314258508 FECDEKROAOWCGE-IJEWVQPXSA-N 263.450 4.772 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C#CCCCCCCN 2316800300 JFAAKOILTAVBMI-UHFFFAOYSA-N 284.230 4.563 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)C1(Cl)CCCC1 2318320159 BEAKPXKDGYZXLX-SNVBAGLBSA-N 283.202 4.564 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C 2320100352 CHHZDUJPWMDQLY-FZKCQIBNSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2321134832 QNDWMSLKNLGXJZ-QKPAOTATSA-N 251.458 4.639 30 10 CJEE CC1(C)CC[C@H](COC[C@](C)(CS)C(C)(C)C)C1 2327118312 IETGIQPHQBXKEV-XJKSGUPXSA-N 272.498 4.812 30 10 CJEE C[C@@H]1C[C@H]1CCCCOC[C@@](C)(CS)C(C)(C)C 2327168439 PKNWKKVKSYVRRT-FMKPAKJESA-N 272.498 4.812 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2327876993 HKXNQABUWIZURP-BXUZGUMPSA-N 284.230 4.919 30 10 CJEE Cc1cc(OC[C@H](CS)CC(C)C)c(C)cc1Cl 2328521884 FDGFHYHHMXTPIH-CYBMUJFWSA-N 286.868 4.928 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(C#N)c(SC)c1 2328525424 JBRLHHLHODGGGS-NSHDSACASA-N 262.422 4.517 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1C 2335049085 ITWWDKMHUFCGDH-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)SCC1CCC(NCCC)CC1 2335189747 BWRFRQPXNOHAIS-UHFFFAOYSA-N 281.509 4.799 30 10 CJEE C[C@@H](CC1CCC1)[C@]1(C#N)CCc2ccccc2C1 2335230492 ACKLGSINVHIVFQ-KBXCAEBGSA-N 253.389 4.512 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@H](SC)C2)CC1 2335856968 RAHJTSIOARCECX-ULQDDVLXSA-N 281.509 4.633 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2338667130 PWCULINPHIPUBG-RYQLBKOJSA-N 261.453 4.798 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1C(=O)O 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FC1(F)C[C@@]1(CS)CSc1ccc2ccccc2c1 2351843427 ABEADPUMIQERIR-CQSZACIVSA-N 296.407 4.887 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CCC[C@@H]1C[C@H]1C 2356060551 NVUDUJRQKGXVCE-ZJPYXAASSA-N 283.500 4.642 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@]23CCC[C@H]2CSC3)CCC1 2357969868 QQDQLNRGGXSIOT-JZXOWHBKSA-N 293.520 4.634 30 10 CJEE SC[C@H](COC(CC1CC1)CC1CC1)c1ccccc1 2360198124 CPKICPSPUUNLIN-KRWDZBQOSA-N 290.472 4.685 30 10 CJEE C=CCC(CC=C)Nc1cc(C)c(C(F)(F)F)cc1N 2360201090 FZPGCZOXVGGRMT-UHFFFAOYSA-N 284.325 4.529 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@@H](C)NCCC)cc1 2360214623 KOGHMADJQYMAHY-OAHLLOKOSA-N 273.420 4.647 30 10 CJEE CCCCC#C[C@@H](C[C@@H](OCC)c1ccccc1)OCC 5308142 QZNDRLMMDWHQBL-RBUKOAKNSA-N 288.431 4.753 30 10 CJEE CN(c1ccc(C(F)(F)F)cc1C#N)C1CCCCCC1 36328629 SLQSCBWFAZQCBM-UHFFFAOYSA-N 296.336 4.736 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155808 ZURRWDYHLKRELC-JHJVBQTASA-N 280.462 4.652 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)cc1 37345178 RGQCFLGHIUBCDQ-IUODEOHRSA-N 277.795 4.733 30 10 CJEE CCCCCCCOc1ccccc1[C@@H](C)NCC 59179022 TXXDNSCKTOTMEG-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)cc1[N+](=O)[O-] 59456401 XDCGRUXVPDFBMZ-CYBMUJFWSA-N 294.395 4.764 30 10 CJEE C=CCc1cc(C(C)=O)ccc1OCCCc1ccccc1 66118013 WZVABRQUOQLJCB-UHFFFAOYSA-N 294.394 4.629 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 68618514 RVLKRUIVZPFHEJ-WDMOLILDSA-N 296.336 4.814 30 10 CJEE CC(C)c1oc(-c2ccc(Cl)s2)cc1CC#N 77080284 JMCYOLMFSNDDCK-UHFFFAOYSA-N 265.765 4.851 30 10 CJEE CC[C@@H](C)Oc1ccccc1-c1cc(CC#N)c(C)s1 77094361 HHHMRLSIRMXWLN-GFCCVEGCSA-N 285.412 4.967 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 86097400 QPSFYSNTBBGNQJ-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]3CCC[C@@H]32)C1 87770937 LKDUSTZQYSXJDA-HSFUPAIVSA-N 288.479 4.605 30 10 CJEE CC1CCC(C#N)([C@H](O)c2cccc3ccccc23)CC1 91881248 MFXPRIFGTKMRHN-PJOPYLDSSA-N 279.383 4.593 30 10 CJEE CCCCN(C[C@@H](CS)CCC)c1ccccc1 94581685 GXWSVGDAJKDAJY-HNNXBMFYSA-N 265.466 4.639 30 10 CJEE C=C(CC)CC(=O)C1(c2ccccc2)CCCCC1 97208304 MITQNDCOPJOTOJ-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE C[C@@H]1CCCCN1CCCCCCCCCS 97799149 QLEYCRSWZLNJLF-OAHLLOKOSA-N 257.487 4.521 30 10 CJEE CCCCCCC[C@H](O)c1ccc2ncccc2c1 104147850 HIUAGEZULCBRBD-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCC1CCC(Nc2ccc(C#N)cc2Cl)CC1 104162685 RJRVVOVNRGUEGE-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc(F)c1 110446494 OQFHPKWHBFSZFT-INIZCTEOSA-N 251.389 4.837 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(Cl)c1F 113538561 WDPZLNGXJXFPIB-CYBMUJFWSA-N 257.780 4.839 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1cc(Cl)ccc1C#N 116383849 QSFDXEVDMMCWKB-INIZCTEOSA-N 284.790 4.645 30 10 CJEE CCCCCCCC(=O)CSc1ccccc1F 116676329 OHWXRSSUUQZNON-UHFFFAOYSA-N 268.397 4.847 30 10 CJEE Cc1ccc(F)c(Nc2ccc(Cl)cc2C#N)c1F 122226093 AKZYIKXXFCXPRP-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CC#CCCC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 122898466 UVULVIVCVOIESJ-AFGAAMFOSA-N 272.432 4.746 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccccc1Cl 125937437 VZTVPVFIVFHATO-MRXNPFEDSA-N 282.859 4.985 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129931519 OPIDZVLPFRTROK-PBHICJAKSA-N 277.452 4.674 30 10 CJEE CC1CCC(C#N)(C2(O)CC(C)(C)CC(C)(C)C2)CC1 129931980 PTEBFFTWVQJCQA-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE COc1ccc(C#N)c(Nc2ccccc2C(C)(C)C)c1 130472491 RBCMHWCKUOBKAP-UHFFFAOYSA-N 280.371 4.608 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(c1)CCN2 157925542 LSWRGMAUOKLNNO-UHFFFAOYSA-N 273.420 4.978 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1OC(F)F 158134147 UAOQNEUSNVNKPZ-CYBMUJFWSA-N 271.351 4.648 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1ccc(Cl)c(Cl)c1 158816988 WEONNTHTRHCXRE-HNNXBMFYSA-N 286.246 4.726 30 10 CJEE CCc1ccc([C@H](CC)Nc2ccc(C#N)cc2F)cc1 168242207 SVFFXMAFPKCBHI-KRWDZBQOSA-N 282.362 4.823 30 10 CJEE C=CCC[C@H]1C[C@H](CCC)CC[C@@H]1CNCCC 219489959 DTHNAUYWXUXRMG-IXDOHACOSA-N 251.458 4.785 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222224758 MYLBCGMEOFXIQL-VVLHAWIVSA-N 278.484 4.851 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 227202679 OXCXNXXRTHUOPM-GYSYKLTISA-N 265.809 4.760 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](CC)C1 229197838 MUHMJDKIGGUJMG-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE CC(C)(CCC#N)CNc1ccccc1C(C)(C)C 229677077 FSLVLMRHKQYAHK-UHFFFAOYSA-N 258.409 4.726 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc3ccsc23)CC1 235699185 KHRVBBVZQKSDOS-LLVKDONJSA-N 256.370 4.830 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCc3cc(Cl)ccc32)c1 308124014 VBORKZFXYJDCBO-QGZVFWFLSA-N 282.774 4.620 30 10 CJEE C[C@@H]1CC[C@H](n2ccc3c(C#N)cccc32)C[C@H]1C 311267805 DVQGMXQLNJYCMO-NFAWXSAZSA-N 252.361 4.510 30 10 CJEE C[C@H]1CCN(C[C@@H](CS)C(C)(C)C)c2ccccc21 311331483 DDJCWFJZMQGJCX-KBPBESRZSA-N 277.477 4.592 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1Cl)C1CCC1 322414659 XBMHJHWUAXXAHU-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2CCCCC2(F)F)CC1 382042360 DMQLUVFBVOJLKD-AAEUAGOBSA-N 256.336 4.518 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CCC)C(C)(C)C)C1 387315889 RIMKPECWHLYNQO-OAGGEKHMSA-N 264.457 4.605 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C)c(C)c1 389182605 LDLUZHPVSQGSQI-QGZVFWFLSA-N 262.441 4.839 30 10 CJEE CCC1CCC(C#N)([C@@H](O)C(CC)(CC)CC)CC1 395250471 YKGWTSKDXUCMEW-CKDBGZEDSA-N 265.441 4.674 30 10 CJEE CCCCCCCCC[C@@H](COCc1ccccc1)NC 395511200 XJULFPFQUCJWLQ-IBGZPJMESA-N 291.479 4.932 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2c(Cl)cccc21 398302186 JJKOWFBRTCIXIR-JTQLQIEISA-N 280.824 4.896 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NN 402383554 MKWGEXHOXLMJHR-WNRNVDISSA-N 278.484 4.561 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C#N)c(F)c1 404652705 SAERFYAZCHJYRW-AWEZNQCLSA-N 276.399 4.536 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12 464565130 AEMGUBYMLGPQCB-CABCVRRESA-N 281.399 4.619 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 464654302 DSRZIEXIGYXENO-WDSOQIARSA-N 299.458 4.774 30 10 CJEE Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 512666597 LIGDCVMOGPCYFB-CABCVRRESA-N 296.389 4.726 30 10 CJEE CCc1ccc(CC)c(NCC(C)(C)CCC#N)c1 539957308 VTFDICNBVVWNSM-UHFFFAOYSA-N 258.409 4.553 30 10 CJEE C=CCC[C@H](NCc1cc(OC)ccc1F)c1ccccc1 559282181 IJOFPNDVTVBBFI-IBGZPJMESA-N 299.389 4.631 30 10 CJEE C=CC[C@H]1CCN(C(=O)Nc2c(C)cccc2C(C)C)C1 626200916 CLTUXUMBQKPJMG-HNNXBMFYSA-N 286.419 4.548 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(CC(C)C)cc1 686672823 HAAYONINGJZVSO-GOSISDBHSA-N 258.405 4.502 30 10 CJEE CC1CCC(C#N)(Cc2ccsc2Cl)CC1 688002921 JGZVNRMMVAUDIA-UHFFFAOYSA-N 253.798 4.664 30 10 CJEE CCCCOCCC1(C#N)CC(C)(C)CC(C)(C)C1 688308951 QOJTWIORSBXDQI-UHFFFAOYSA-N 265.441 4.939 30 10 CJEE C#C[C@@H](Nc1cccc(C2CCC2)c1)c1ccccc1 690153522 WBKZVBRTNJIIII-LJQANCHMSA-N 261.368 4.741 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1sc(C)nc1C 691161133 MBFWJDZSKCUWQU-OAHLLOKOSA-N 282.497 4.770 30 10 CJEE C#CCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 692316527 YVXGPRXBCIJLTO-SNVBAGLBSA-N 288.193 4.587 30 10 CJEE CCCCCCCC[C@@H](N)CCCOC1CCCC1 699938955 VHAXUXZPMAXNGR-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C=CCCC(C)(C)CNC1CCC(CCC)CC1 703948076 KSGYOHBQWVINBX-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(CC#N)cc1 709152397 VICSEDALSCWNSN-WBVHZDCISA-N 256.393 4.523 30 10 CJEE C=C(Cl)C[C@H](Cc1cccc(Cl)c1F)NCCC 710586493 ZKFGEGHGEXSTKU-GFCCVEGCSA-N 290.209 4.532 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 710615095 FMZHCCHLELOOII-YUTCNCBUSA-N 257.849 4.570 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)[C@H]1CCCCO1 711852194 SHSCPLSNBLHMRQ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc2cc(F)ccc2s1 715768243 IENUGGBXGODIQQ-MEBBXXQBSA-N 263.381 4.513 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCCC)CCC[C@@H](CC)C1 715816043 USGFBFWUVAJSOX-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CCC2(CCC2)O1 716900709 PINYQUQLLZICGF-IRXDYDNUSA-N 281.484 4.946 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 717238237 HRMPPOQFHHCWLY-ILOCAZANSA-N 280.500 4.641 30 10 CJEE CCCCCCCCC[C@H](CCCC(C)(F)F)NN 718586061 MXGRTZIDWWAINC-CQSZACIVSA-N 278.431 4.785 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCC[C@@H](C)C1 719627795 WVNXXUKZVOBERA-ZIFCJYIRSA-N 285.431 4.949 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H](C1CCCC1)C1CC1 723851972 IAELLYJEROFUMZ-MRXNPFEDSA-N 274.795 4.592 30 10 CJEE C=C1CCC(C[C@H](N)CSC2CCCCC2)CC1 724548937 ILTWEWZYONJVCZ-HNNXBMFYSA-N 267.482 4.516 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cc(C)ccn2)CC1 724553173 GFSSGEIYJYSHIS-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C[C@@](C#N)(Nc1cccc(C(F)(F)F)c1)c1ccccc1 725237418 GMDAUNKVMOANFC-HNNXBMFYSA-N 290.288 4.556 30 10 CJEE Cc1c(CC#N)c(SC(F)(F)F)cc2sccc12 725314508 QEWRYTGAHVNOSB-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCN(Cc1cccs1)C(=O)[C@H](CC)CCCCC 1124442275 HLNPEMCETFLQSG-OAHLLOKOSA-N 293.476 4.869 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 1141873480 YOWDYJWLPFATDT-QFBILLFUSA-N 297.442 4.733 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](C3CCC3)C2)CCCCC1 1147999795 XDNFNZGRYQHDIF-QGZVFWFLSA-N 289.463 4.552 30 10 CJEE C=CCCC[C@H](NCCCOC(C)(C)C)c1ccccc1 1197368898 ORURIYNQRBXZSL-SFHVURJKSA-N 289.463 4.879 30 10 CJEE C=CC[C@H](NC[C@@H](C)CCc1ccccc1)c1ccncc1 1200562308 LMJGKNPDSMWNTM-PXNSSMCTSA-N 294.442 4.557 30 10 CJEE C#Cc1ccc(NCc2cccc(C)c2C)c(Cl)c1 1203891288 ZLKYWEMFWPBFNU-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC(C(C)C)CC1 1251702274 AIXWZMDMRNBXKS-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCCCCCCCNC(=O)N1CC[C@@H](C(C)(C)C)C1 1251703419 RXTXBGIGPFXAPV-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C=CCC1(CNC(=O)C[C@@H](C)CC(C)(C)C)CCCC1 1272416762 GWVLRKSMVAJNPB-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C#C[C@@H](NC(=O)C[C@H](C)CCCCCCCC)C(C)(C)C 1275502576 KIICOBFOKKHTHL-IAGOWNOFSA-N 293.495 4.927 30 10 CJEE C=CCC1(NCCCc2ccccc2C)CCCCC1 1308003017 OWFIFSNHORDBPC-UHFFFAOYSA-N 271.448 4.796 30 10 CJEE C=CC[C@H]1CC[C@H](NCCCCCCC(C)C)C1 1308180158 ZMGLQUDCDMOUQR-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](CCC)NCc1ccc(SC)cc1 1308701146 ZXYRAJAJRQSZDI-HNNXBMFYSA-N 263.450 4.633 30 10 CJEE C#CCCCCC(=O)OCc1ccc(-c2ccccc2)cc1 1347808900 OLPFXEPVDQYVJQ-UHFFFAOYSA-N 292.378 4.590 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1-c1cccs1 1352192967 TURAQOQRVKPBAW-CYBMUJFWSA-N 285.412 4.956 30 10 CJEE C=CCCCCCN(C)C(=O)C1(CC(C)C)CCCC1 1360624771 XAJSYAGAMWYBFR-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C#CCCCCCCN(CC1CC1)C1CCCCC1 1459439788 QNEGOYUNMCDTIN-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=CC[C@@H](CC)NC(=O)C/C=C\c1ccc(C(C)C)cc1 1459619334 PQZHRXYZRYJNEJ-YPLUBFQTSA-N 285.431 4.684 30 10 CJEE C=CCCCCC[C@H](C)Nc1ncccc1OC(C)C 1462108540 ZWZJLOWGBPGHSW-HNNXBMFYSA-N 276.424 4.806 30 10 CJEE C=CCCCN[C@H](C)CCCOc1ccc(Cl)c(C)c1 1462175725 DRNNOPQLMAXLCH-OAHLLOKOSA-N 295.854 4.752 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3ccccc3o2)c1 1463256142 FGMUIZCTDAXXTL-UHFFFAOYSA-N 277.323 4.718 30 10 CJEE C=CCCCCCCCNC(=O)N[C@H](C)c1ccccc1 1467616776 NSONUCKAWBWIDW-MRXNPFEDSA-N 288.435 4.573 30 10 CJEE C=CC[C@H](C)SCc1ccc(Br)cc1 1472922420 PQHOQHDGTZLKLJ-JTQLQIEISA-N 271.223 4.647 30 10 CJEE C=CCC[C@@H](NCCc1ccccc1)c1ccccc1 1473327016 KPENTLPWVCVXMQ-LJQANCHMSA-N 265.400 4.526 30 10 CJEE C=CCCCCN(C)Cc1oc2c(C)cccc2c1C 1473609955 JBTPEIYIEIWBQJ-UHFFFAOYSA-N 271.404 4.838 30 10 CJEE C=C1CCC(C(=O)Oc2ccc(CCCC)cc2)CC1 1520719193 QWVGAIRGACFAEN-UHFFFAOYSA-N 272.388 4.681 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1Cl 1529888415 DESCVZROTPUZLX-SECBINFHSA-N 272.175 4.534 30 10 CJEE C=CCC1(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)CCCC1 1539235979 ZOHHZGLZKCYRER-QAQDUYKDSA-N 289.463 4.598 30 10 CJEE C=CC[C@@H](C)NC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1543657422 YXPYRJVODJQIEW-XZZQLLPFSA-N 291.479 4.700 30 10 CJEE C=CCCCCCCNC(=O)c1oc2ccccc2c1C 1544263278 MYDVPHBUIMSIAA-UHFFFAOYSA-N 285.387 4.608 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cccc3c2OC(C)(C)C3)C1 1560808603 ZDLUEYBAOKJFOS-DZGCQCFKSA-N 271.404 4.557 30 10 CJEE C=C(CC)CNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1597395949 LSLHARFNBHTSAB-UHFFFAOYSA-N 297.398 4.766 30 10 CJEE C=CCCCCCCCNCc1cc(Cl)cc(F)c1O 1620958398 MJILIYYHHHJWSV-UHFFFAOYSA-N 299.817 4.801 30 10 CJEE C=CCN(Cc1ccc(C2CC2)cc1)Cc1cccs1 1621219764 KUFLSBUTQJKRIS-UHFFFAOYSA-N 283.440 4.814 30 10 CJEE C=CCC[C@H](Nc1cc(Cl)nc(C)n1)c1ccccc1 1639670927 XRIMRJFMSGFRET-AWEZNQCLSA-N 287.794 4.558 30 10 CJEE C=CCC[C@H](NCCCc1ccsc1)c1ccccc1 1642481749 KKTJRZPOFMUNLA-SFHVURJKSA-N 285.456 4.978 30 10 CJEE C=C(C)CCN(CCc1ccccc1)c1ccccc1 1644825293 BOGHKKQEVDTVMP-UHFFFAOYSA-N 265.400 4.702 30 10 CJEE C=CCC[C@@H](NCCOCc1ccccc1)c1ccccc1 1645079658 CPSKKVMVHJRYJM-HXUWFJFHSA-N 295.426 4.500 30 10 CJEE C=CC[C@@H]1CCN1C(=O)c1sc2cc(C)c(C)cc2c1C 1646494116 KKSLKGVQFMSSJX-CQSZACIVSA-N 299.439 4.617 30 10 CJEE C#Cc1ccc(NCc2cscc2Cl)c(Cl)c1 1658090513 ZNDGCHKVKFCCPW-UHFFFAOYSA-N 282.195 4.648 30 10 CJEE CC[C@@H](CS)CN(C)C1CC2(CCC(C)(C)CC2)C1 1876820348 TYVXCUAGCRLDRX-CQSZACIVSA-N 283.525 4.623 30 10 CJEE CCCCCOc1ccc(C(=O)C(C)=C(C)C)cc1 1877429620 BLCUYFNSIYIDBK-UHFFFAOYSA-N 260.377 4.795 30 10 CJEE CC#CCCC[C@@H](NCCC)C(C)(C)CC(F)(F)F 1879646508 GJRDWZSICKLIDG-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CCC[C@H](CC)C1 1879649746 DXKPUCUFKLTLMX-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 1883427504 FPDHEQVRBLMBCQ-FJIDUMEYSA-N 265.485 4.961 30 10 CJEE C=C(c1ccccc1)[C@@](N)(CC)CC1CCCCC1 1888706306 VLBXACKLMWVIQW-GOSISDBHSA-N 257.421 4.778 30 10 CJEE CCCCN(c1nc(Cl)c(C#N)s1)C1CCCCC1 1888723828 UUTGLVQJOUZMJF-UHFFFAOYSA-N 297.855 4.607 30 10 CJEE C=CC[C@H](C)SCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 1889161850 NFNJCVRZYKJEKB-ZDUSSCGKSA-N 296.285 4.652 30 10 CJEE C=CCC(CC=C)Nc1cccc(F)c1Br 1900970337 AKASFXOTOIFWFM-UHFFFAOYSA-N 284.172 4.521 30 10 CJEE Cc1ccsc1C=CC(=O)c1ccc(Cl)s1 1911872362 UPKSJNLRCFSCPA-UHFFFAOYSA-N 268.790 4.668 30 10 CJEE CCCCCCCCCN1CCC(CN=[N+]=[N-])CC1 1912190075 YLNBWXIOVOFWFD-UHFFFAOYSA-N 266.433 4.759 30 10 CJEE C=CCN(Cc1ccccc1)c1ccccc1[C@@H](CC)NC 1914953321 ZVDJNTYNEBLALE-LJQANCHMSA-N 294.442 4.550 30 10 CJEE CC(C)[C@@H](CC#N)N(Cc1ccccc1)Cc1cccs1 1915377906 JZTQMNGOXWBAFA-GOSISDBHSA-N 298.455 4.689 30 10 CJEE CCCCCCCC[C@]1(F)CCC[C@]12CCNC2 1918324597 FQFFWAHHDOZXQL-CVEARBPZSA-N 255.421 4.609 30 10 CJEE 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C=CCCCC[C@H](NCCC)c1cccc(OCC)c1 2179680961 LDPPQVSDQQTVIC-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@@H]2CC[C@H](C1)O2 2181323636 LGRRFTNLUNCRKL-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE Cc1ccnc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)c1C 2181662209 LPDASNBRHSKZMT-OAHLLOKOSA-N 271.404 4.654 30 10 CJEE C=C1CC(COc2ccc([C@@H](C)NCCC)cc2Cl)C1 2182155086 ADVHXTZLJNBDBZ-CYBMUJFWSA-N 293.838 4.746 30 10 CJEE C=CC[C@](C)(NCc1csc2ccccc12)C(F)(F)F 2182193756 WZCFXBGAEYKQAO-AWEZNQCLSA-N 299.361 4.888 30 10 CJEE CSc1cccc(NCC2C[C@H]3CCC[C@@H]3C2)c1C#N 2183299558 JQLGYWPWLVXRHN-ZIAGYGMSSA-N 286.444 4.518 30 10 CJEE CCCCCCCCNc1cc(CC)ccc1C(N)=S 2188824333 LZXIVQYQAKTHER-UHFFFAOYSA-N 292.492 4.656 30 10 CJEE C=CC1(CN[C@H](C)[C@H]2CC3CCC2CC3)CCCCC1 2189503772 RGONCSKZHUBROF-AQEOSJORSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@](O)(CCC)C(F)F 2190011704 AWYBLRFPEKZPPL-GDBMZVCRSA-N 293.442 4.511 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2N[C@@](C)(CC)CCS2)CC1 2192868647 CXRUUOMBWIIBMZ-ZOBUZTSGSA-N 296.524 4.844 30 10 CJEE CCCCCCC[C@@](C)(OC(C)(C)C(F)(F)F)C(=O)O 2193589937 BHLBLZWQDNIRSR-CYBMUJFWSA-N 298.345 4.548 30 10 CJEE CCCCCCCCCc1nc([C@H]2C[C@@H]2C(=O)O)cs1 2193942420 QEECKIKWLUWHOB-STQMWFEESA-N 295.448 4.624 30 10 CJEE C=CC1(C[S@@](=N)(=O)c2ccc(C(C)(C)C)cc2)CCC1 2194118870 KDPHMGNRGUHFMQ-HXUWFJFHSA-N 291.460 4.746 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCC[C@H](P(C)(C)=O)C2)CC1 2195958014 CKIPQARBMZPIAK-IRXDYDNUSA-N 297.423 4.599 30 10 CJEE C=C(C)CC[C@H](O)c1cccc(Oc2ccccc2)c1 2196513128 KKGAIZMBNDUUBM-SFHVURJKSA-N 268.356 4.869 30 10 CJEE CCCCCCCCN(C)Cc1ccc(CC#N)cc1 2196691809 YKTAXMLNCKRSED-UHFFFAOYSA-N 272.436 4.545 30 10 CJEE C#CC[C@H](C[C@@H](NCC)c1ccc(Cl)cc1F)C1CC1 2196848138 JVYYKPNGFSDRQI-CXAGYDPISA-N 293.813 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](CC1=CCCCC1)NCCC 2197141641 HENYRJIDVAPSOS-IBGZPJMESA-N 269.432 4.959 30 10 CJEE C=C(C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21)c1ccccc1 2197145968 FXPWYWCZLCQRIW-KZNAEPCWSA-N 268.400 4.875 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1c(C)coc1C 2197156179 VXBJOGOXYFPDNF-GOSISDBHSA-N 269.388 4.651 30 10 CJEE C=C1CCC(Nc2ccc([C@H](F)C(F)(F)F)cn2)CC1 2199312745 JHMFSXBPJLDXFD-ZDUSSCGKSA-N 288.288 4.565 30 10 CJEE Cc1cc(C)cc([C@H](C)Nc2ccc(C)c(C#N)c2)c1 2199331572 CLYRHZBUWHWPLT-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE Cc1ccc(N[C@@H]2CCCC23CCCCC3)cc1C#N 2199335198 BWXOCWXNQTUADQ-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc(F)c(Cl)cc1F 2203787120 ITPUJRARMXGCMD-MRXNPFEDSA-N 299.792 4.853 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ccc(C)cc1C 2203788455 YPMSASVLUSRSPU-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(C)c(C)c1)C1CCCCC1 2203799645 AJFSJOLQNUJMEA-QFBILLFUSA-N 269.432 4.536 30 10 CJEE C#C[C@H](NC1CCC2(CCCCC2)CC1)C1CCCC1 2204038271 GJXIHYNYSPBNOD-SFHVURJKSA-N 273.464 4.661 30 10 CJEE C#CCCCCCNCc1ccc(-c2ccccc2)s1 2206334959 SBJOJHDXEPGJDU-UHFFFAOYSA-N 283.440 4.698 30 10 CJEE C=CCCCCCC[C@H](N)c1cnc(N(CC)CC)s1 2206884608 IFQOTHOAEZOPDI-AWEZNQCLSA-N 295.496 4.516 30 10 CJEE C=CCCCCCC[C@H](NC)c1cccc(N(C)C)c1 2206892123 OOWSTMWZUOXJNE-SFHVURJKSA-N 274.452 4.540 30 10 CJEE C=CCCCCCC[C@H](NN)[C@H](CC)c1ccccc1 2206893907 FFIHHFDYGZYNKU-MSOLQXFVSA-N 274.452 4.539 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)c1ccc(Cl)cc1F 2206897679 CQKVPDQPPMCEER-MRXNPFEDSA-N 298.785 4.608 30 10 CJEE C=CCCCCCCCCC(=O)C(C)(C)[C@H]1CCCN1 2207396626 NFGLSDJHRJZPOJ-MRXNPFEDSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@]12CC[C@@](C)(C1)OC2 2207425983 WKULALWYLNDACR-BZSNNMDCSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 2207445675 CGTBKJUBFLIANH-ADHGMGHFSA-N 282.468 4.714 30 10 CJEE C=CCCCCCCCCCOC[C@H]1NCCC[C@H]1C 2207448786 NILGDPPLEHYSNS-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCCC)[C@H]1CC1(C)C 2207456173 IOWGLFIYHBINBL-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CCC[C@H]1CC1(C)C 2207457319 NTIIPWLLMJVQEP-JKSUJKDBSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncc(Cl)s1 2217291735 ADVQPRQGAKYLGS-ZDUSSCGKSA-N 274.861 4.721 30 10 CJEE CCCC[C@H](C)CC[C@@H](C#CC(C)(C)C)NCC 2218428587 SGJXEVFVGBGJSB-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(C)(C)C 2220091341 FPFAMTIEICTSNS-BZUAXINKSA-N 251.458 4.913 30 10 CJEE C=CCCCCCCCOc1cc(F)ccc1F 2220097819 QKLJXAZGYJXUIO-UHFFFAOYSA-N 254.320 4.870 30 10 CJEE CC(C)(C)C#CCC(=O)Cc1cccc(Cl)c1Cl 2220277205 KMGLJMUQVZWSLB-UHFFFAOYSA-N 283.198 4.545 30 10 CJEE CC1(C)C[C@]1(Cl)C[C@@]1(C=O)CCCCC12CCC2 2222062639 HGLYLZDXYCZXPQ-CVEARBPZSA-N 268.828 4.714 30 10 CJEE CCCCCCCCCCOCC[C@@H](C)NCC 2223216352 UJZGHDGWMFQIID-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1CC[C@H]2C[C@@H]21 2223841314 YYRCSDHYYWBSPH-QAETUUGQSA-N 252.442 4.924 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC(F)(F)C1 2225362031 WHZVYDIIBYJGCM-CBBWQLFWSA-N 270.363 4.597 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1cc(F)ccc1Cl 2225417680 NTUJDHXMLOQFSY-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE C#CC[C@H](C)C[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2225665815 ILFJFFDJFHMSIH-WFASDCNBSA-N 298.257 4.564 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCC[C@@H](C)O1 2226878237 ANZJMTGZPCMZDD-IXDOHACOSA-N 269.473 4.802 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1[C@H]2CCCC[C@H]21 2227271451 LIXOZVUCRVNRTH-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NC 2227281264 FYYRKJJUMQQKIT-JKSUJKDBSA-N 287.428 4.892 30 10 CJEE CCCC[C@H](C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2227501710 OHDSDYZRCUMXCH-JQWIXIFHSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccnc(F)c1 2228984122 BWVVVMZRFHFKDG-OAHLLOKOSA-N 265.372 4.561 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 2229851580 RREOAOZPZRSJJT-GOEBONIOSA-N 256.393 4.575 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C2CCC2)cc1 2231706654 HEKZVEXVZZNRRU-RDTXWAMCSA-N 257.421 4.817 30 10 CJEE C=C[C@H](CC)O[C@](C)(CCCCCCCC)C(=O)O 2231899093 HKZMPRXAAHYLRR-GDBMZVCRSA-N 270.413 4.562 30 10 CJEE CCCCCCCC[C@](C)(O[C@H](C)CCC)C(=O)O 2231907368 VDHXCRDBLWSCFL-ZBFHGGJFSA-N 272.429 4.786 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(C)c(F)c(C)c1 2233781612 IHHJKWARWVWJSS-MRXNPFEDSA-N 275.411 4.533 30 10 CJEE CCSc1cccc(NC2CC(CC3CC3)C2)c1C#N 2233915372 WHIXYUFZVQZODH-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE C=CCCCCCCC[C@@H](O)CCC1CCC(N)CC1 2235518906 LBNYVJIDNVYFFL-DAWZGUTISA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)cc1 2235519858 UOVBDRVLHGXVHY-IRXDYDNUSA-N 295.854 4.617 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)c1sccc1C 2235542261 QRGRVIOWBFFWEJ-KRWDZBQOSA-N 294.460 4.750 30 10 CJEE CCNc1cccc(C#Cc2ccc(F)c(C)c2Cl)c1 2235568291 TUKJAJGPUFHXRJ-UHFFFAOYSA-N 287.765 4.619 30 10 CJEE C=CCC(C)(C)OC[C@H](NCC)c1ccc(Cl)c(F)c1 2235842739 VKVZAGVQOMQBBC-HNNXBMFYSA-N 299.817 4.501 30 10 CJEE C=CCCCCCCCCN1CCC([C@H](C)C#N)CC1 2236750020 KNIMCMIXQFUYQO-QGZVFWFLSA-N 276.468 4.775 30 10 CJEE CCCCCCCCCCCOCC1(CC(=O)O)CC1 2239551301 ZWUZEGWHWCTIAV-UHFFFAOYSA-N 284.440 4.789 30 10 CJEE CCCCCCCCCCCCOc1nccnc1F 2239551345 SBDGTLLCFJVWSI-UHFFFAOYSA-N 282.403 4.915 30 10 CJEE CN[C@@H](C#Cc1cccc(Cl)c1)[C@H](CC(C)C)C(C)C 2239562194 MFCPTBPYIBYDJT-MSOLQXFVSA-N 291.866 4.598 30 10 CJEE C=CCC[C@H](C)Oc1cc(Cl)ccc1CN[C@@H](C)CC 2240188335 DLQQWCQBEFKTBU-KBPBESRZSA-N 295.854 4.962 30 10 CJEE CC(C)[C@H](CS)CN(C)Cc1ccc(C2CCC2)cc1 2240283226 HNGQYQALPUCZIQ-SFHVURJKSA-N 291.504 4.588 30 10 CJEE CCCCCCCC[C@@](C)(CC(=O)O)C(N)(CC)CC 2240610280 ARTHIOXZGNCSFX-INIZCTEOSA-N 285.472 4.736 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)C1CC(CC)C1 2240637770 MHKQBYWHIVHDII-ZGUYJTEBSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]12CCC[C@H]1CCO2 2240640343 PFSMQGQQCVUZDQ-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H]1OCCC1(C)C 2240666886 QZJGNWVOGKIAMD-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CN(CCCCCCCS)c1cccc(Cl)c1 2252648039 WKKGKSSFNIANSN-UHFFFAOYSA-N 271.857 4.657 30 10 CJEE Cc1nc(SCC2=CCCCC2)c(Cl)cc1C#N 2255175183 FKEXIAASEMOVNO-UHFFFAOYSA-N 278.808 4.508 30 10 CJEE C=C1CCC(CNc2c(F)cc(Cl)cc2F)CC1 2255371903 BTTNGQWADCKKFP-UHFFFAOYSA-N 271.738 4.777 30 10 CJEE CCCCCCCCNC[C@@H]1CCC[C@H]1C(F)F 2257768244 DAJINMKCVKXQQU-UONOGXRCSA-N 261.400 4.618 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@@]1(C)O 2258995185 LDJWKBQVULTYDR-HZPDHXFCSA-N 270.482 4.940 30 10 CJEE C=C(C)CCCC[C@H](N)CSc1ccccc1Cl 2259196821 PLOSXNYSSMQORP-ZDUSSCGKSA-N 283.868 4.896 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC(C)(C)CCC1(C)C 2261392159 LSRLKBHMTLOGNB-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C#CC[C@@H](CNc1cc(C)c(Cl)cc1Cl)C1CC1 2263172085 BLNSDCMWAGKDAK-LBPRGKRZSA-N 282.214 4.763 30 10 CJEE CC(C)CCN(CC(C)C)C[C@H](CS)C(C)(C)C 2263194431 YRLUEUAOAJOLFY-OAHLLOKOSA-N 273.530 4.583 30 10 CJEE CCCCCCCC[C@]1(F)CN[C@H]2CCCC[C@@H]2C1 2264958357 SIBPVAIKRCEVCR-IXDOHACOSA-N 269.448 4.997 30 10 CJEE C=CCCCSC[C@@H](NC)c1ccc(C(C)C)cc1 2271486486 YJOJARSVCIJSHL-QGZVFWFLSA-N 277.477 4.770 30 10 CJEE C=C(C)CCCCN(C)CC1(C)CC(C(F)(F)F)C1 2271763921 FOSMIPRANDBSLH-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(C)CC(F)(F)C1 2271839353 PKVDXTWTSOEOAZ-CQSZACIVSA-N 273.411 4.927 30 10 CJEE C=CCN(CC[C@H](C)CCCC(C)C)CC(F)(F)F 2272353649 WOKRAHISJQZZNG-CQSZACIVSA-N 279.390 4.889 30 10 CJEE CCCC[C@@H](C)[C@@H](C#CC1CCCCC1)NCCC 2274057852 CMFSICNDUMZQCY-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@H](NC)C1CC(CC(C)(C)C)C1 2274212075 DYCBOFYJOUVELH-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CN(CC#CC(C)(C)C)[C@@H]1CC(C)(C)CCC1(C)C 2274538170 WWYUTGFVXHEXKS-OAHLLOKOSA-N 263.469 4.573 30 10 CJEE CN(CCCCCCCS)C[C@@H]1CCCC2(CC2)C1 2277503736 QRYQKRKVYQVBPZ-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC[C@](C)(O[C@H](C)CC)C(=O)O 2278175064 CETASCQAZNEDQK-ZBFHGGJFSA-N 272.429 4.786 30 10 CJEE C=C(CC)CC(=O)[C@@](C)(O)CCCCCCCCC 2278179653 BPCHSRAFSFXHTJ-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE CCCC[C@H](CC)CSCCC[C@](C)(C#N)NCC 2278320423 DCJKXFJVNZGIRB-JKSUJKDBSA-N 284.513 4.608 30 10 CJEE C=C[C@@H](C1CCC1)n1c(S)nc2c(C)c(F)c(C)cc21 2279143778 GWZGBLOFQZULLH-LBPRGKRZSA-N 290.407 4.608 30 10 CJEE Cc1cccc2ccc([C@]3(C#N)CCCC[C@@H]3C)nc12 2279721604 BENNLZTXZMELCV-KSSFIOAISA-N 264.372 4.515 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@@]1(C=O)CCCc2ccccc21 2280497350 CDJRKJZVIZDPQT-AYBZRNKSSA-N 270.416 4.676 30 10 CJEE Cc1ccc(Cl)c([C@H](O)[C@]2(C#N)CCCC23CCC3)c1 2283380840 KHCOZSXSBXMWLV-DOTOQJQBSA-N 289.806 4.546 30 10 CJEE CN[C@@H]1CC[C@@H](C(C)C)C[C@@H]1CC=CC#CC(C)(C)C 2284085264 BQMKMYGAKKIDDZ-FGTMMUONSA-N 275.480 4.643 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC[C@@H](C)C1 2284089096 NPNCWBUFUWILGL-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(C2CC2)cc1 2284096217 PGSCFPMHCSMOFK-GOSISDBHSA-N 268.400 4.593 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CC(C)(C)CC(C)(C)C1 2284099480 SZAUSYQKMDHBEG-UHFFFAOYSA-N 275.480 4.916 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@]12CCC[C@H]1C2 2284114222 WJICDOHFHKNJQL-SCTDSRPQSA-N 273.464 4.541 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@@H]1CCCC2(CCC2)C1 2284178123 KZFDLMYXVZJKJH-QGZVFWFLSA-N 273.464 4.637 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(C(C)(C)C)c1 2285654710 DXEGGINWACCRHX-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H]2CO[C@H]1C2 2286250784 WSQSHMOYXADSAL-SQNIBIBYSA-N 281.484 4.674 30 10 CJEE C=C(C)CCCCC[C@H](NCC)c1cccc(OC)c1 2287413342 IWYOVACCJFMRAW-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@@H]1CCSC1CCCC1 2288859091 RDSZJZIODKQHDM-WBVHZDCISA-N 294.508 4.504 30 10 CJEE CC1(C)CCSC(=Nc2cccc(C3CCCC3)c2)N1 2289266224 BJXDLVFROUGHJY-UHFFFAOYSA-N 288.460 4.837 30 10 CJEE CCC(CC)(C(=O)C#CC1CCCC1)c1ccccc1 2289616685 MWFDEGQSHDVUPW-UHFFFAOYSA-N 268.400 4.507 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C(C)(C)C1CCCCC1 2289688184 SACRMWLNGBBVEH-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)CC#CC2CCCC2)cc1 2289925497 VQMLUHJNUCJKSS-SFHVURJKSA-N 270.416 4.601 30 10 CJEE C=CCCCCCC[C@@]1(OCC(=O)O)CCC[C@H]1CC 2291304972 FFWXXMPKGXKTEZ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)C1CCCCC1 2291438743 GEGITUYLQYFLSZ-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(C=C1CCCC1)OCC(=O)O 2291539687 KFHDZAKJOXLCQR-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=CCCCCCC[C@H](CC1CCC1)OCCC(=O)O 2291666802 CPFWATSDUTXOAA-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C(C)(C)C)OCC(=O)O 2291781793 VNFVWJZKYMYVGH-GJZGRUSLSA-N 286.456 4.889 30 10 CJEE C=CCCCCCC[C@](C)(OCC(=O)O)c1ccsc1 2292432763 DMIDUMJQXJKVFR-INIZCTEOSA-N 296.432 4.591 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1CCC 2292656391 UMFRRQGRDWMASH-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCCCC[C@H]1C 2292907311 CLSSBPBSEICYHS-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CC(=O)C=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2293094934 GBPOSTNVMXAPKH-UHFFFAOYSA-N 281.138 4.856 30 10 CJEE CCCCCCCCC[C@](OCCN)(C(C)C)C(F)F 2293467050 REFOHJMMAWTRFJ-INIZCTEOSA-N 293.442 4.762 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)C(F)(F)F)OCCN 2293663505 MGMTZHSAOFIFFY-KBPBESRZSA-N 297.405 4.669 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2294089466 OFUPHMGWVMSOEL-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCC[C@@H](C(C)C)C1 2294231124 OJNRAHZGXQACMG-KSZLIROESA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](OCCCN)(C1CCC1)C1CC1 2294351048 JCUIEEMESCHXFQ-SFHVURJKSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1coc(C)c1 2294443528 FRTNSICAFHHKPE-QGZVFWFLSA-N 281.440 4.745 30 10 CJEE CC(C)(C)[C@H](CC(=O)C#Cc1ccccc1Cl)C(F)F 2295149573 WSCXXVXHYJBEAM-CYBMUJFWSA-N 298.760 4.578 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1coc(C)n1 2295686045 DKCVYYQBOUIMDQ-HNNXBMFYSA-N 280.456 4.644 30 10 CJEE C/C=C/CCC[C@@H](N)[C@](C)(O)CCCCCCCCC 2295688040 AMILKCVUSDVBTR-JORFTBQQSA-N 283.500 4.952 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2297102708 RYAJUBNPJFYJGJ-APIJFGDWSA-N 278.245 4.685 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1cc(Cl)ccc1Cl 2298825090 WKQMEUNPUYHUGJ-RNCFNFMXSA-N 290.259 4.691 30 10 CJEE C=C1CC(Cc2ccc(Cl)cc2C(F)(F)F)C1 2303049060 NHTLHLASGWYJHX-UHFFFAOYSA-N 260.686 4.868 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)cs1 2304027611 JSCYBAGLNQUICY-CABCVRRESA-N 251.439 4.700 30 10 CJEE C=C([C@@H](N)c1cc(F)c(Cl)cc1Cl)[Si](C)(C)C 2306197044 LAMQMCSDLIRLAI-GFCCVEGCSA-N 292.257 4.566 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC[C@@H]1SC 2307705419 OLNUDPCWCSJQOT-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE CCCCCCCC[C@]1(F)C[C@@H]2CC[C@H]1C[C@@H]2N 2313009124 RRQBEHMRZPICBN-VGWMRTNUSA-N 255.421 4.593 30 10 CJEE CC1(C)CC[C@@H](C[C@@]2(C#N)CCCC(F)(F)C2)C1 2319288613 JZKIZEAXXYBSAQ-OCCSQVGLSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCN[C@@H]1CCCC[C@@H]2C[C@H]21 2319440035 WLOHCCUIFAQFBE-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CC1=C(C)C[C@H](Nc2ccc(Cl)cc2C#N)CC1 2320374312 YGUTVRJLQSUFRD-CQSZACIVSA-N 260.768 4.512 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ncc(Cl)s1 2321101213 ICUHHXMWKSDPBB-TZMCWYRMSA-N 286.872 4.830 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(SC)c1 2321118125 RFJJHWPAFJNBIA-JKSUJKDBSA-N 263.450 4.661 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1CCC2(CC1)CC2 2321238813 ZTSSFKNWIYCSFQ-CVEARBPZSA-N 250.426 4.700 30 10 CJEE N#Cc1ccc(NC(CC2CC2)CC2CC2)c(Cl)c1 2335140191 ATAFMFRBDIVAOT-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C#CCCC[C@H](NCCC)c1c(F)ccc(C)c1Cl 2335567233 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C=C1C[C@H]1[C@H](NCC)c1ccc(C2CCCC2)cc1 2341890624 ABHMSNFWCUREGZ-QZTJIDSGSA-N 255.405 4.571 30 10 CJEE N#C[C@@]1(CCCCC(F)(F)C(F)(F)F)CC=CCC1 2342297984 QCCWIGYPTNSQAG-NSHDSACASA-N 281.268 4.994 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(C=O)CCCC(F)(F)C1 2343365668 FKAYICYLUFMPCR-UMVBOHGHSA-N 272.379 4.843 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@]1(C)CCCCC1(F)F 2344349496 SZSLVTHYLNIXHH-ILXRZTDVSA-N 273.411 4.912 30 10 CJEE C=CCC(C)(C)[C@H](CCCCCCCC1CC1)NN 2344464632 KUIODRXYLXJGPN-INIZCTEOSA-N 266.473 4.561 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2 2359313926 YTHNXNQAKIZRPF-BVBHFADKSA-N 269.432 4.504 30 10 CJEE C=CCC(CC=C)SCc1cccc(CNC(C)C)c1 2360205406 MKFOPDNIDAXVHB-UHFFFAOYSA-N 289.488 4.939 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1cc2ccccc2o1 2360323569 JEQWTOPMVSHXSJ-DZGCQCFKSA-N 289.444 4.781 30 10 CJEE C=C(C)Nc1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 576002 PERPLAUSFVIMHQ-UHFFFAOYSA-N 278.399 4.769 30 10 CJEE CC1(C)CC[C@@H](Nc2ccccc2C#N)c2ccccc21 20525602 BZGOACVTQUMGRB-GOSISDBHSA-N 276.383 4.783 30 10 CJEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1ccc(C)cc1 37089336 DOFZGRIRYIDUFQ-KRWDZBQOSA-N 282.362 4.877 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 37935937 SMVIDJRMQFEXDA-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCC[C@H](C#N)Nc1ccc(Cl)cc1 37935967 UNGBGDYGKHGORU-CQSZACIVSA-N 250.773 4.614 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 37937063 DGHFCUOPTGAJAD-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1 37937260 MZQULNKFXNKMHZ-CQSZACIVSA-N 277.154 4.670 30 10 CJEE COc1ccccc1N[C@]1(C#N)CCCC[C@H]1C(C)(C)C 37938655 JFTHTXYYDRQWJM-WMZOPIPTSA-N 286.419 4.606 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1 52857921 UZYDNJUAGZTCMU-JTQLQIEISA-N 274.726 4.524 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccc(F)cc2)cc1 57685546 GDBVOQNOCSYRDO-INIZCTEOSA-N 283.346 4.601 30 10 CJEE N#C[C@H](CCc1ccccc1)c1cccc(Cl)c1 57686043 SKRNLIYLTUDWPF-HNNXBMFYSA-N 255.748 4.580 30 10 CJEE CCCCCCCN[C@H](C)c1cc(F)ccc1F 59419418 WBEBFZKGQUEECC-GFCCVEGCSA-N 255.352 4.586 30 10 CJEE C[C@@H](Nc1nccc(-c2ccccc2)c1C#N)c1ccccc1 76579074 MNQROHIKFKAFIT-OAHLLOKOSA-N 299.377 4.793 30 10 CJEE COc1ccc(Cl)cc1C1(C#N)CC(C(C)(C)C)C1 86559249 LNBUTSALSNQBNF-UHFFFAOYSA-N 277.795 4.566 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86880926 AVURBMOZRFKADN-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE CCC[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86941828 JFEPNFGJSOTIDZ-FCEWJHQRSA-N 284.447 4.958 30 10 CJEE CC(C)(C)SCc1nc(-c2cccc(C#N)c2)cs1 87120084 YVODCDFVYVFESW-UHFFFAOYSA-N 288.441 4.713 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2)C1 87973381 LXTHSSRLXAQKNC-IINYFYTJSA-N 268.187 4.866 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2Cc3cc(C)ccc3O2)C1 90902689 BBFCAHOQVGUREJ-HHXXYDBFSA-N 283.415 4.799 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)C2CCCCC2)CC1 91882475 ZJZPQHGCSVNRRS-PQUAAJSLSA-N 277.452 4.674 30 10 CJEE CC1(C)CCCC[C@]1(C#N)Nc1ccccc1Cl 94281652 HQWBTECEXLVCEF-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cccc(C3CC3)c2)CC1 94525936 GCSZKTOBFPCOAX-QGZVFWFLSA-N 283.415 4.708 30 10 CJEE CCCCCCCCOCCC[C@@H](C)NCCC 106247003 SRXNUWWQHLHXHZ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCOC(=O)c1ccc(C)c(N)c1 109895204 BEVREUSEYJXIEM-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C[C@@H](C)C(C)(C)C)cc1C 111650650 GLMOPJNNIKAMIZ-ZBFHGGJFSA-N 271.404 4.552 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@H](C)NC 112993215 CHHKNDZHJANTQN-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@H](N)CSc1cccc(F)c1 117399007 BPCMRLBTRHAWES-AWEZNQCLSA-N 269.429 4.606 30 10 CJEE C#CCCC[C@H](NCCC)C1CCC(C(C)C)CC1 134052041 KNAOTAKNXRUGJW-ABHNRTSZSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(Cl)cc1F 134226281 IIUCMCSLZWOPSW-AWEZNQCLSA-N 271.807 4.709 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)(C)C 156207409 RGXAPTLLDUAJAT-XHSDSOJGSA-N 251.458 4.639 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ccnn1C 159816439 LNLZSXIKYOCGHI-KRWDZBQOSA-N 280.456 4.765 30 10 CJEE Cc1cc(C#N)ccc1COc1ccc(C(C)(C)C)cc1 165537469 OZUTZIDGRCARJS-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2ccc(Cl)cc2F)CC1 165705973 UXRYRQKLTYNDLC-CQSZACIVSA-N 295.785 4.623 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](OC)c1ccccc1 167854494 SBGIFLLGLNQZOD-ZWKOTPCHSA-N 277.452 4.842 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 168957753 ZUJDOWZOVDRGEZ-HZMBPMFUSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCCCCCOCC=O 200821316 MMENLZYDRAZMCV-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)CCCOC1 203409226 NXILAFPUOMYDRU-GOSISDBHSA-N 283.500 4.924 30 10 CJEE C=CCCC[C@H]1C[C@@H](C)CC[C@H]1CNCC(C)C 227513787 GGQBSRFRYOIKEF-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE C=CCC[C@H](C)Nc1cc(C(C)(C)C)ccc1OC 228819278 NHGZXMNWUAAFBD-ZDUSSCGKSA-N 261.409 4.759 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(Cl)ccc1F 229071943 YQJUKYHRAIGFED-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2ccccc2Cl)C1 231004018 LREKNYFGADGQPE-CJNGLKHVSA-N 276.811 4.860 30 10 CJEE CCCCCCCCNC1=N[C@H]2CCCC[C@H]2CS1 231344160 PSSGQVFFMILRLS-GJZGRUSLSA-N 282.497 4.598 30 10 CJEE CCCc1ccc(-c2csc(C(C)(C)C#N)n2)cc1 231790939 QWDQVOQNTAQULG-UHFFFAOYSA-N 270.401 4.564 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)c2ccccc2n1 235758437 ZKCBHAITUBDNJQ-GOSISDBHSA-N 269.388 4.713 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Cl)ccc1F 236549517 SFLAPZLBTZGOPF-CQSZACIVSA-N 256.748 4.649 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@H](C)NCC 250825320 NDZKIUWZEIKUBJ-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN1CC[C@@]2(O)CCCC[C@H]2C1 250830137 QNZNPOKIHNXVEP-OALUTQOASA-N 295.511 4.754 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H]3CCCC[C@@H]3C2)C1 252371750 DAULLYFNPJHRAU-FVVUREQNSA-N 288.479 4.607 30 10 CJEE CC1=CC(=NOC(=O)c2ccccc2Cl)CC(C)(C)C1 252617648 KXOHBJDREHFHCZ-UHFFFAOYSA-N 291.778 4.619 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CCC(F)(F)C2)CC1 306062324 ZJJFZVHOPSDXNH-LBPRGKRZSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCNCC1(OC)CCCC1 312087827 OJKUHLJPBDPCJZ-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CC(C)(C)CCCOc1ccc(C(F)(F)F)c(C#N)c1 312433875 BLYRZGLTRCPLRW-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 316911300 VMUCKKDDCHVECS-NOVHTQIQSA-N 262.437 4.844 30 10 CJEE CC(C)CCCCC[C@@]1(C=O)CCc2ccccc21 317430808 PKIPPKGUBWNDDB-SFHVURJKSA-N 258.405 4.676 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1nc(C)cs1 352547020 AUICNOGRUHIVMQ-UHFFFAOYSA-N 286.444 4.916 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(F)c1Cl 379915435 ZYRJEGRQBLJPAE-OAHLLOKOSA-N 295.829 4.959 30 10 CJEE C=CCS[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1NCCC 381668567 PORKNCIPUBWDSS-XYPHTWIQSA-N 275.461 4.522 30 10 CJEE CCCCCCCOc1cccc(Cl)c1/C=C\C(=O)O 382595111 KBEQZBYAEWOEDD-KHPPLWFESA-N 296.794 4.787 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)CSc1cccc(C)c1 383633612 ZIIFMDOFCBSRIH-INIZCTEOSA-N 289.488 4.505 30 10 CJEE N#C[C@@H](C(=O)c1csc(Cl)c1)c1cccc(Cl)c1 393571801 IFVBQNNEZMOZGI-LLVKDONJSA-N 296.178 4.545 30 10 CJEE CCCCCCCC(=O)[C@H]1CCCC2(CCCC2)C1=O 394279887 DPMPTZKKWHWVTA-OAHLLOKOSA-N 278.436 4.846 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccsc2C(F)(F)F)CC1 394997748 YYFTVUYMQLLNTJ-QMMMGPOBSA-N 274.307 4.696 30 10 CJEE CCCCCCCCO[C@H](CNCCC)C(C)(C)C 395821869 SNHAXHLODJGWRZ-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE C=CCCC[C@H](C)NCc1csc2ccccc12 398079306 CTQVNSYPZHGYIC-ZDUSSCGKSA-N 259.418 4.736 30 10 CJEE C[C@](C#N)(C[C@@H]1CCCCC1(F)F)c1ccccc1 405546068 LTSHXVKIBFKEAE-LSDHHAIUSA-N 263.331 4.683 30 10 CJEE Cc1ccc([C@@H]2C[C@H](C)CCN2CCCC(C)(C)C#N)o1 472232665 JTHGICNLZYEHQL-ZBFHGGJFSA-N 288.435 4.691 30 10 CJEE N#Cc1cc(-c2ccc(Cl)cc2Cl)ccc1F 514260983 JLYHGIDBCITRJT-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCC[C@@H](NCc1ccc2ccccc2n1)c1ccco1 556873510 YMFJMIHAEGYXLZ-GOSISDBHSA-N 292.382 4.625 30 10 CJEE C=C(C)C[C@@H](N)c1c2ccccc2cc2ccccc12 575244732 QXCXWRYMFZHBRC-GOSISDBHSA-N 261.368 4.959 30 10 CJEE C=CCCCCC[C@]1(CNC(C)(C)C)C[C@H](C)O[C@@H]1C 686467873 SLORQLOQQOINAP-LZLYRXPVSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@]12CCC[C@@H]1C2 693139675 QTQAZLNEFKBTFK-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE CN(CC1CCC2(CC1)CC2)c1ccc(C#N)cc1Cl 696191160 XFIFLKXKGQBBNP-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1CCCC[C@@H]1N 696986762 QZYTVTRWELDGCD-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE C=C(Cl)C[C@H](Cc1cccc2ccccc12)NCCC 710634319 IZMIXSHBBXAMED-QGZVFWFLSA-N 287.834 4.893 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCC2)C2CCC2)c(Cl)c1 711835776 QTRPQMNDJPOSTM-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)cc1C 715785165 MWBBLFWPLNSRCL-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)[C@H]1CCCO1 720188361 RAIAMVDSFYXTCM-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C)CC[C@H]2CNCC)CC1 724616756 MRDPOFQXFMENJX-SZMVWBNQSA-N 263.469 4.785 30 10 CJEE N#Cc1cc(C(F)F)cc2cc(C(F)(F)F)sc12 725276895 ITTTXSCOOXDJHA-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=CCC(C)(C)COC(=O)C1CCC(C(F)(F)F)CC1 814003148 RGFYCYJKVGKFHC-UHFFFAOYSA-N 292.341 4.501 30 10 CJEE C=CC[C@H]1N(C(=O)C2CCC(C)(C)CC2)CCCC1(C)C 1128470326 VTHRQHDUTFRMDK-MRXNPFEDSA-N 291.479 4.796 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc(OC2CCCC2)cc1 1162098701 HOLGWIFSIKVRRS-UHFFFAOYSA-N 296.345 4.762 30 10 CJEE C=CCCN(CCC)[C@H](CCC)Cc1ccccc1 1190791304 KZAPDZPZULMLNS-GOSISDBHSA-N 259.437 4.686 30 10 CJEE CCCCCCCCCN1CCC[C@H]1c1cc(C)on1 1201839746 QVGJOOBWQMLBLZ-KRWDZBQOSA-N 278.440 4.871 30 10 CJEE C=C[C@@H](CC(=O)N(C(C)C)C1CCCCC1)c1ccccc1 1264915729 JPLQMLWIDACGFL-KRWDZBQOSA-N 299.458 4.916 30 10 CJEE C=CCCC(C)(C)CNC/C=C/c1ccc(F)c(F)c1 1308487239 SRUVJRTYPYIFET-VOTSOKGWSA-N 279.374 4.560 30 10 CJEE C=CCCCC[C@@H](C)NCCc1ccc(SC)cc1 1308726858 MXBPBWHHIXKHKZ-OAHLLOKOSA-N 277.477 4.676 30 10 CJEE C=CCCCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1308735456 PCGLZWVPCOEZJC-DOTOQJQBSA-N 277.839 4.607 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCCC)c1ccc(Cl)cc1 1308797309 XBJYAHUTVPEPPV-WMLDXEAASA-N 277.839 4.963 30 10 CJEE C=CCC1(C(=O)Nc2cccc3cnccc23)CCCCC1 1351097710 VOUKZAXEBPHISC-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CC1(CC(=O)Nc2cc(F)ccc2Cl)CCCCC1 1352561487 BNOJUQNEZIWTMT-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCC[C@@H](NC(=O)CC[C@H](C)CC)c1ccccc1 1458138362 YJSVJSCISNNJBQ-NVXWUHKLSA-N 273.420 4.636 30 10 CJEE CC(C)c1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1 1459888393 AJSOHXIATOLKIB-GOSISDBHSA-N 284.447 4.887 30 10 CJEE CCCCCCCCCN1CCCC(C)(C)[C@H]1C#N 1460058189 BSKQTRNTKRDIRF-MRXNPFEDSA-N 264.457 4.751 30 10 CJEE C=CCCCN[C@@H](CC)c1cccc2ccccc12 1460796147 SYDTVHHZXNONAD-SFHVURJKSA-N 253.389 4.847 30 10 CJEE C#C[C@@H](NCC1CCC(c2ccccc2)CC1)C(C)(C)C 1462300510 YYNUVJUKRRHOFI-NKELODKYSA-N 283.459 4.598 30 10 CJEE C=CCC[C@H](CC)Nc1cc(Cl)cc(C)c1OC 1462440145 MEGKSZOLHOUPJF-ZDUSSCGKSA-N 267.800 4.814 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 1468826890 UJUJFDRXWAWKSE-GVDBMIGSSA-N 294.483 4.637 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1nccc(Cl)c1Cl 1473637698 KIOOTRXYJZAPOY-YPMHNXCESA-N 299.245 4.613 30 10 CJEE C=CCCCCCCNC(=O)c1cc2ccccc2s1 1525671355 FYEJGMPVUPWOEJ-UHFFFAOYSA-N 287.428 4.768 30 10 CJEE C=C(C)CCC(=O)N(CCCC)[C@H](C)CCCC 1526814727 SVLQXLUCJUALRW-OAHLLOKOSA-N 253.430 4.550 30 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GHELIWNRNWOPEQ-KBXCAEBGSA-N 297.423 4.624 30 10 CJEE C=CC(C)(C)CCNC[C@@H](CCC)c1ccccc1 1656695971 ARGLVDWQXBQSEU-QGZVFWFLSA-N 259.437 4.762 30 10 CJEE C=CCCCCCN(C)CCc1ccc(F)cc1Cl 1657450001 SBCOUNZEWYVUMU-UHFFFAOYSA-N 283.818 4.700 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(-c3ccnn3C)ccc2C)C1 1657913658 JBMMLXIFBRADNZ-NVXWUHKLSA-N 295.430 4.552 30 10 CJEE C=CCC1(CNCc2cc(C)ccc2C)CCCC1 1657956058 PINSWEOCUVBXFN-UHFFFAOYSA-N 257.421 4.530 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CC1CCC1)c1ccc(F)c(F)c1 1658895576 MAWZEIBTFZCVTF-SJCJKPOMSA-N 279.374 4.750 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCc2cc(F)ccc21 1659031463 LHZWLSRGVHQSNX-KBXCAEBGSA-N 275.411 4.928 30 10 CJEE C=C(C)[C@H](N[C@H](C)CCC(C)C)c1ccc(F)c(F)c1 1659491139 SOBBSUVYRMDBGZ-DYVFJYSZSA-N 281.390 4.996 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(F)c3ccccc23)C1 1660234872 VAHUEVKRORHGAB-OAHLLOKOSA-N 283.390 4.767 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CC)c1 1666945003 NYMOTYQLAQRTOB-RDJZCZTQSA-N 286.419 4.505 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@H](CC)C1CCCCC1 1676532000 PTDMCNPGNPIVSW-MRXNPFEDSA-N 294.483 4.637 30 10 CJEE Fc1cccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c1F 1848365030 OOXKRIIAAVKKFU-UHFFFAOYSA-N 294.169 4.929 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](CCC)COC 1879010849 NAANLTCCBCDPQF-IAGOWNOFSA-N 272.473 4.941 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](CCC)COC 1879010851 NAANLTCCBCDPQF-SJORKVTESA-N 272.473 4.941 30 10 CJEE CC#CCCC[C@]1(CNC(C)(C)C)CCCC[C@H]1C 1879642557 AFCLLHQJZFLUGU-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE CC#CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 1879652826 FVARRCTVTDWRSS-CQSZACIVSA-N 298.257 4.708 30 10 CJEE CCCCCCCCN(CCOC)C1CCCCC1 1888772786 KFABAWPBSLYNKS-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCNC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1 1889048262 GCRLVJLWIBLARS-UHFFFAOYSA-N 288.435 4.589 30 10 CJEE CCCCCC[C@@H](C)N=C1N[C@H](CCC)CCS1 1911817562 HDUYGPKRSBKFCQ-ZIAGYGMSSA-N 270.486 4.597 30 10 CJEE CCCCCCCCCCCCOC[C@H](C)NC 1914979396 ZGRJYNJISZFPRP-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@@](C)(N)c1cc(C)ccc1F 1919503842 DLDOVOQZTKVPHP-MRXNPFEDSA-N 251.389 4.669 30 10 CJEE CCCCCCC[C@@](C)(N)[C@@H]1CCCc2cccnc21 1919516563 WFFZBDPQUDLLNP-SJLPKXTDSA-N 274.452 4.579 30 10 CJEE C=CCOc1ccccc1[C@@H](O)CCCC(C)(C)C 1920023837 BSQREGJSEFMRJE-HNNXBMFYSA-N 262.393 4.501 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CCC(C)=C(C)C 1920389719 ONPVTSGTGCUWES-SJORKVTESA-N 269.473 4.562 30 10 CJEE Cc1cc(Cl)c(C(=O)C=Cc2ccccc2)cc1C 1951316610 JZMBIBJMDDQSOZ-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE CCCCCCCCCCCC1(C#N)CCNCC1 1952127784 RFYUNWFWXJICFZ-UHFFFAOYSA-N 264.457 4.801 30 10 CJEE C=CCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 1975339157 LAOBPCCJXSSHAR-SECBINFHSA-N 264.221 4.801 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(C(C)(C)C)s1 2000364594 JBLHKKCVPLRXNU-GFCCVEGCSA-N 251.439 4.662 30 10 CJEE CCC[C@@](C)(C#N)CCOc1cccc(Br)c1 2000520664 MPLHMPOQHNNRPU-CQSZACIVSA-N 296.208 4.548 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccccc1Br 2021358198 TXCUIIAUWNQNAP-WFASDCNBSA-N 296.252 4.702 30 10 CJEE Cc1cc(Cl)c(N[C@@H](CC#N)C(F)(F)F)cc1Cl 2026847193 HIPSJXJBCNVSDU-JTQLQIEISA-N 297.107 4.558 30 10 CJEE N#C[C@@H](SC1CCCC1)[C@H]1CCC2(CCCC2)C1 2037681077 CQVMLWQOSLXZOQ-DZGCQCFKSA-N 263.450 4.915 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccsc1C(F)(F)F 2039901498 IYVKQRDFAMOVOS-JOYOIKCWSA-N 273.323 4.639 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1(CC)CCCC1 2040531389 XMLFMCDEFVAYBS-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1C[C@H]1C(C)(C)C 2040532740 HDCBROZCRLJECW-JONQDZQNSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@H](NC)C1=CCC(F)(F)CC1 2045231465 XMNSJQWRYBRJRR-AWEZNQCLSA-N 259.384 4.681 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1C(C)(F)F 2045973707 UZRHFHFUMVKEHF-RDBSUJKOSA-N 262.384 4.779 30 10 CJEE CCCCCCCNCC[C@H](C(F)F)C(C)(C)C 2048775477 PGFOPXMSVWHYKY-CYBMUJFWSA-N 263.416 4.864 30 10 CJEE C=C[C@@H](NCCC)[C@H]1CC[C@H](CCCCC)CC1 2049635731 AFVZNYINHRQRKN-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)C[C@@H](NCC)c1ccccc1Cl 2050519218 PZGGFEHIRBKHNI-XJKSGUPXSA-N 265.828 4.983 30 10 CJEE CCCCCCCCCO[C@H](CN)c1ccsc1 2056133326 IGGHRZZAXMVILZ-OAHLLOKOSA-N 269.454 4.515 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1CCCC1(C)C 2059118769 MSRMTGPCSGLXBO-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=C1CC([C@H](CC(C(C)C)C(C)C)NCCC)C1 2069011796 TXWNMAVTVMREEZ-KRWDZBQOSA-N 251.458 4.639 30 10 CJEE C=CCCCCC[C@]1(O)CCCC[C@H]1C(F)(F)F 2075717532 OLNFFILYDPYFHO-OLZOCXBDSA-N 264.331 4.607 30 10 CJEE C=C[C@H](C1CCC1)n1c(S)nc2ccc(Cl)cc21 2077180553 ZDVRXRMMTODELV-GFCCVEGCSA-N 278.808 4.506 30 10 CJEE CCCCC#CC[C@](C)(N)c1cccc(Cl)c1Cl 2083433563 KUKSJVPFNPKFPQ-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE CCCCC#CC[C@](C)(N)c1ccc(Cl)cc1Cl 2083435069 XUUGHURHDMYTAE-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCCC(C)(C)CC1)P(C)(C)=O 2084161006 IOWAMKWZZCRLDR-DZGCQCFKSA-N 269.369 4.888 30 10 CJEE CCCCC#CCN(C)Cc1cc2sccc2s1 2084719847 QMFBGQIPPOGRDC-UHFFFAOYSA-N 277.458 4.588 30 10 CJEE C=CCCCCCC[C@@H](N)c1csc(CCC)n1 2085844252 LBKFOWCNMVYIRC-CYBMUJFWSA-N 266.454 4.622 30 10 CJEE 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C#CC[C@@H]1CCCN1CCCCCCCCCC=C 2271463510 VTKODESQXQPAML-GOSISDBHSA-N 261.453 4.781 30 10 CJEE C=CCCCCCCCS[C@H]([C@H](N)CC)C(F)(F)F 2271512664 AFILUPDWSXYOEW-CHWSQXEVSA-N 297.430 4.914 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@](C)(F)CC[C@@H]1N 2271596966 PGMIBCVMJWBYQU-ARFHVFGLSA-N 287.488 4.854 30 10 CJEE C=C(C)CCCCNCCCCC(F)(F)C(F)(F)F 2271837287 QWSVLJBMNJJDBE-UHFFFAOYSA-N 287.316 4.690 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@]2(C)CC[C@@]1(C)C2 2271974734 DSHCGJRMIWUHST-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE Nc1ccc(Cl)c(Cl)c1OCC#CC1CCCCC1 2274118577 UMVPMJGQXFFZHM-UHFFFAOYSA-N 298.213 4.538 30 10 CJEE CCc1ccc(C#N)c(SCC23CCC(CC2)C3)c1 2274351572 IKCFPRGVMIYLJA-UHFFFAOYSA-N 271.429 4.793 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C(C)(C)CC 2276346264 YEMPMNRIBOHKMY-MRXNPFEDSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@]1(C)C[C@@H]1C 2276653463 KCXYZMQHQQCEEW-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C1(C)CCC1 2276747089 RULTYJSWSDMGJE-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE 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270.416 4.537 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1ccc(C(C)C)cc1 2289721996 UGHGJABYQVPLLQ-IBGZPJMESA-N 269.432 4.654 30 10 CJEE CC[C@](O)(CC#CC1CCCC1)C1CCC(C)(C)CC1 2289904183 INZFTBWLYIAQTP-IBGZPJMESA-N 276.464 4.928 30 10 CJEE CCCCCCC[C@](C)(CC1(C)CC1)OCCC(=O)O 2291241756 OAVBGYRZHIUQHW-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCC[C@H](CC)C1 2291443908 ZZBFDQMIBFBWRP-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)C1CC=CC1 2291947715 NUWUORFWYDRWQT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1CCC[C@H]1C 2293173618 ZUSREGCCQYCMKL-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C#CCCCC[C@](C)(CCCCCCCC)OCCN 2293362705 GZUZJUSGJODEIK-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C(C)CCCCC1(OCCN)CCCCCCCC1 2293576042 ZRRLEOWVZXZGFS-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CC[C@H](C)[C@H](C)C1 2293676992 XFMHQTSXUFNNKC-MLHJIOFPSA-N 283.500 4.763 30 10 CJEE C=C(C)CC[C@](C)(OCCCN)C1CCC(C)(C)CC1 2294084701 WZYJOZRLNGQPJW-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)C1(OCCN)CCC(CC)(CC)CC1 2294226904 IPIXHTDKIYFROS-MRXNPFEDSA-N 281.484 4.683 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(C)s2)c(C)c1 2294300123 UWCUMLUXTVFZTO-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cncn1C(F)F 2295581889 XGEZPJGTPWNLMO-HNNXBMFYSA-N 287.398 4.593 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CO[C@H]2C[C@@H]1C2 2295680929 BPLLOZSYCWAZBW-BDXSIMOUSA-N 281.484 4.530 30 10 CJEE CC[C@@H](CS)COCc1ccc(Cl)c(Cl)c1C 2301400229 DHIIHAPOKAMOKB-SNVBAGLBSA-N 293.259 4.774 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(Cl)cc1 2313704129 IEHWOPIWUMTNFY-UHFFFAOYSA-N 280.820 4.777 30 10 CJEE C=C(F)CNC(C1CCCCC1)C1CCCCC1 2316363421 IEXSCYNEXSTPNX-UHFFFAOYSA-N 253.405 4.588 30 10 CJEE C=CCC(CC=C)[C@@H](CS[C@H](C)CC)NCCC 2316738197 FLGOAWTXQGSODD-GDBMZVCRSA-N 269.498 4.655 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CC(C)(C)[C@H]2C)CC1 2318255800 RJWAOXDPKVPHPA-UJEKJILKSA-N 250.426 4.700 30 10 CJEE SCCCCCCCO[C@@H]1CCC2(CCCC2)C1 2320444493 CFQCFUKDEOEREN-OAHLLOKOSA-N 270.482 4.996 30 10 CJEE CCCCCCCCNCc1ncc(C(F)F)s1 2320482150 ZRCITBWFPOBCKA-UHFFFAOYSA-N 276.396 4.531 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC1CCC1)NCCC 2321095436 IUDSCUYPJSXWAL-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C[C@H]1CCC[C@@H](COCC2(CS)CC(C)(C)C2)C1 2321724290 QMGQJSITDFFIOX-UONOGXRCSA-N 270.482 4.566 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCCCCCC1 2327077843 UCTWDTYATGUBBK-INIZCTEOSA-N 271.514 4.625 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(F)cc1SC 2328517303 WOLPROWDQDHURX-AWEZNQCLSA-N 267.413 4.555 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330177294 QTQYWCXJNNYROO-YJNKXOJESA-N 273.411 4.746 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332262953 HAVLTCYSVUYIKM-DISONHOPSA-N 264.453 4.924 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC[C@@H]1CCCCC12CC2 2337069102 KMDFCRRMLCCSAI-IKGGRYGDSA-N 261.453 4.681 30 10 CJEE C=CCC(CC=C)[C@]1(CNCCC)CC[C@@H](CC)C1 2338737625 FVMISGWXFUYBEK-SJLPKXTDSA-N 263.469 4.951 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(F)c(C)c1C 2340920487 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C#Cc1cccc(N[C@@H](CC(F)(F)F)c2ccccc2)c1 37185280 YMXSATHZTLYBSQ-INIZCTEOSA-N 289.300 4.774 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1cccc(Cl)c1 50429252 ZYDGNZNPQZHZND-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1ccc(/C=N/c2ccc(C)c(Br)c2)s1 59508092 CKWHCBLMLQZFAJ-OVCLIPMQSA-N 294.217 4.878 30 10 CJEE CCCCCCCCCCCCC[C@H]1CNCCO1 59635219 WPUYGDXEPMKJSU-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 62610366 JVWSZHBAXVDAQW-BXUZGUMPSA-N 295.785 4.872 30 10 CJEE Cc1ccc(SC(C)C)c(-c2csc(CC#N)n2)c1 76561303 GJPWLPNXXBCNKY-UHFFFAOYSA-N 288.441 4.685 30 10 CJEE CCCCN(Cc1ccc(C#N)cc1F)c1ccccc1 81581609 UTYGYGFWHHUNQR-UHFFFAOYSA-N 282.362 4.504 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCC(C)(C)C2)CC1 91886373 LXVLGVSGLSYBJV-VMWRSERWSA-N 277.452 4.674 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc2ccccc2o1 97208754 IKLQDDOSZNCNGS-HNNXBMFYSA-N 257.377 4.830 30 10 CJEE N#Cc1ccc(Nc2ccc(F)cc2Cl)cc1Cl 104008171 PBDPBVCPKJOUNS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCN(CCN)C(CC)CC 104319633 OZMSLPOMTYXXHL-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc(OC)c1 104363951 XMMVUTBHSZVMOY-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cccc(Br)c1 107494753 VNNFGVJXEBFUPH-RYUDHWBXSA-N 265.194 4.602 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(OC)c(C(C)C)c1 107518413 ZGNMXOMAWAVVPS-LSDHHAIUSA-N 258.405 4.972 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(CC)CC(CC)CC)C1 110263988 UWTUGYFYPZIJBA-OKZBNKHCSA-N 278.484 4.853 30 10 CJEE CCCCCCCCCCOc1ccccc1O 110436962 NOJIVXPLDDHVSU-UHFFFAOYSA-N 250.382 4.912 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc2nccnc2c1 112320017 OORYOAJUIBNYHB-MRXNPFEDSA-N 285.435 4.770 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc(F)cc1 112885526 LZCAZVRQCNSHCP-QGZVFWFLSA-N 266.400 4.870 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1CCCOC1 114997917 VBOGNQWOKREOPY-DLBZAZTESA-N 269.473 4.532 30 10 CJEE N#Cc1cc(Cl)nc(Oc2cccc3ccccc23)c1 122561204 GSAOCCBGSOSOIL-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CCCCCC1 126751622 XDOSJIWZSCGZRS-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@H](Cc1cnn(CC)c1)NCCC 131916512 YPCWCXIILSVBMM-GOSISDBHSA-N 293.499 4.564 30 10 CJEE CCc1cc(Oc2ccc(C#N)c(C)c2)ccc1Cl 133508429 QQJVFRBIOLOKID-UHFFFAOYSA-N 271.747 4.875 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cc(C)nn1C 139499032 NKALNMRNQUTYGX-KRWDZBQOSA-N 293.499 4.910 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1(OC)CCC(C)(C)CC1 164776218 BXYXKACVLVQFAU-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccncc1C 165066355 ILKJSVUENCVFQV-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCCCC(=O)CNC(C)C 167511572 IJYLHQCFGOHJEW-UHFFFAOYSA-N 269.473 4.865 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1F 184641363 YPHXYVJKLINNAH-NSHDSACASA-N 288.753 4.718 30 10 CJEE CCCCCCCCOc1cccc(NCCC)n1 211185250 SSUANFGVEBUKHX-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE N#C[C@@H](Cc1cccs1)C1C2CC3CC(C2)CC1C3 216538429 QIJXSPXWQARXGD-UWRLEFKFSA-N 271.429 4.503 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SC2CCCC2)C1 219636398 KWCPDOUMXIUYHV-IPYPFGDCSA-N 251.439 4.771 30 10 CJEE CCCCCCCN[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 226983388 MIBJPKWVJAFKFP-ZOBUZTSGSA-N 251.458 4.761 30 10 CJEE CCSc1cccc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)c1C#N 229411592 PXPBEIUPFDFFBR-MCIONIFRSA-N 288.460 4.541 30 10 CJEE C=C(CC)C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC 229756605 RMFYQAWMWRVOOS-INIZCTEOSA-N 299.380 4.972 30 10 CJEE C=CCSCCN[C@H](C)c1cccc(Cl)c1Cl 231930358 ZZCOPKATJRSAPX-SNVBAGLBSA-N 290.259 4.563 30 10 CJEE CC(C)(C#N)CCn1ccc2c(Cl)cc(Cl)cc21 232516989 PPZWJDIUQMZAST-UHFFFAOYSA-N 281.186 4.888 30 10 CJEE CCC(CC)(CNc1cccc(Cl)c1C#N)SC 232978479 ILRUVYHTDDTIBP-UHFFFAOYSA-N 282.840 4.545 30 10 CJEE Cc1ccc(Oc2cc(Cl)ccc2C)c(C#N)c1 235902394 UCGHRNXPBFPILU-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2scc(C)c2Cl)cc1 235925929 SAMMAVJUKOYAMZ-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE N#Cc1ccnc(Oc2cccc3ccccc23)c1Cl 236052595 JWSOQEWGZCZNLU-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#Cc1ccc(F)cc1CNc1cc(Cl)ccc1Cl 236190744 JRONXUHVYPTFMQ-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC(C)CN(C(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 250607954 XLZKKMTZFCXYIN-GVDBMIGSSA-N 278.484 4.707 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)C[C@H]2CC[C@H]1C2 250796893 BDVGVNVMMPIHIZ-FHWLQOOXSA-N 295.511 4.779 30 10 CJEE CCCCCCCCCN1C[C@H]([C@H](C)CC)NCC[C@H]1C 250835942 UXASPABEXJJMLJ-GUDVDZBRSA-N 296.543 4.836 30 10 CJEE C=C(C)C[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 252998679 OJQOBRCSLDWXFC-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC(C)(C#N)Cc1coc2ccc(C(F)(F)F)cc12 260048898 CGUWJJXUUMHQGT-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CCCCCCCCNC[C@@H]1CCCC(F)(F)C1 302477723 QPHHRQITVKJGJA-CQSZACIVSA-N 261.400 4.762 30 10 CJEE C=C(CC)CNc1ccccc1OCc1ccccc1 309683001 BIDGBQMCMLHIMH-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE CCc1ccc(NCCCCC(C)(C)C#N)cc1C 311363672 CECRACXBSLLIIA-UHFFFAOYSA-N 258.409 4.689 30 10 CJEE CCCC1CCC(C#N)(CC2(O)CCCCC2)CC1 311384786 ONRVZUJEYMNGIF-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE N#CCc1ccc(NCc2cc(Cl)sc2Cl)cc1 312603042 NYWBAPZYXNGWEL-UHFFFAOYSA-N 297.210 4.733 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316834871 CXJOFAPIBLWNLP-KXBFYZLASA-N 272.432 4.922 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1 317252254 PADCOJQPEYHCCB-NNCLKIPCSA-N 262.437 4.988 30 10 CJEE C=CCCCCCOc1cccc(CNC(C)C)c1Cl 328289846 UOMOHXRMMKDUCX-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CCCCC1(F)F 381890997 LIARHOORQAVQFH-UONOGXRCSA-N 262.384 4.923 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@@]1(C#N)CCCC[C@@H]1C 384763367 AWQALTVKHJAXTJ-XHDPSFHLSA-N 292.766 4.528 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1c(F)cccc1Cl 384907803 XXYZFOOGZBFEFD-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)CC1(CS)CCCC1 387311925 AILLIXWZMGOONN-MRXNPFEDSA-N 291.504 4.777 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2sccc2Cl)CC1 394083438 KMRLPAZNNGXUNE-LBPRGKRZSA-N 283.824 4.545 30 10 CJEE CCCCCN(C[C@H](C#N)C1CCCCC1)C(C)C 397382803 VNTFCTXOIKZVFC-KRWDZBQOSA-N 264.457 4.607 30 10 CJEE C=CCCC[C@H](C)Nc1c(Cl)cc(N)cc1Cl 398083044 SHYFBCJPABUFMF-VIFPVBQESA-N 273.207 4.732 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2ccc(C)cc21 398315260 UPWRYVHSCICEKJ-LBPRGKRZSA-N 260.406 4.551 30 10 CJEE CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccs1 512665908 IAPDDGKCDLJFKL-ABAIWWIYSA-N 288.391 4.561 30 10 CJEE N#CCc1ccc(-c2cc(Cl)ccc2Cl)c(F)c1 514263226 QQANJRXHWAXUBI-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCCCCCN[C@H](C)c1csc(C(C)C)n1 562349531 YGEINNCYKYZUHX-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CC12CCOCC2 690034134 RCSMMCPWFMEFBT-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE Cc1cc(Nc2c(F)cc(C#N)cc2F)cc(C)c1Cl 690244140 WUSJOTIDPFEYNI-UHFFFAOYSA-N 292.716 4.850 30 10 CJEE C[C@H]1CCCCC[C@]1(C#N)Nc1ccccc1Cl 691108129 WZWPTVWSWGFSDH-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1CC2CCC1CC2 691673979 NBXZOZRJDUFCCN-JYSRZZCRSA-N 263.469 4.641 30 10 CJEE CN(CC1(CS)CCCC1)[C@H]1CCC12CCCCC2 694228987 OVNWCLNPPMURGJ-HNNXBMFYSA-N 281.509 4.521 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 695032059 JYPKXVPXFFESQQ-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CCC[C@H](NCCC)c1ccsc1Br 698686722 QBTNDMPQSPAOJE-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@]1(C)CC[C@H](C)C1(C)C 699018502 BENKKIUIGOYINU-FRQCXROJSA-N 277.496 4.867 30 10 CJEE CCCc1ccccc1Oc1c(C)cccc1C#N 699501001 QEKVQHBEIVADBP-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1nc(C)c(C)[nH]1 699896111 SYPDLTCMHOKZIX-MRXNPFEDSA-N 279.472 4.818 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](C)C1CNC1 702832696 BSGVCSDIKJCZCJ-SJLPKXTDSA-N 283.500 4.514 30 10 CJEE CCCCCCCCCC[C@@]1(N)COC[C@H]1CCC 704427317 OYRDPVPURBUSJA-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@]1(N)CSCC(C)(C)C1 704927481 JVDZFXMXLQDAPE-MRXNPFEDSA-N 271.514 4.988 30 10 CJEE CCCCCCCCCC[C@]1(N)CS[C@@H](C)C1 704956998 CGGVLODLVCQEEH-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@]1(C#N)CCCc2ccccc21 704988473 WDTBHCRWNMCEKV-HFTRVMKXSA-N 253.389 4.611 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1c(F)ccc(F)c1Cl 706583308 DMGJFJKFXKEPRH-ZDUSSCGKSA-N 292.716 4.603 30 10 CJEE CC[C@@H](Oc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 719794068 IWOAJUVOVYAQGL-CQSZACIVSA-N 283.293 4.535 30 10 CJEE N#CCc1cc2ccc(C(F)F)c(OC(F)F)c2s1 725293675 LDKOFEMTVGPQNV-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE c1ccc([C@H]2CCCCC(=NNc3ccccn3)C2)cc1 765555258 IZJTYYOVIOTZBP-INIZCTEOSA-N 279.387 4.597 30 10 CJEE C#Cc1cccc(N(C(=O)CCCC2CCCC2)C(C)C)c1 1125843088 XEGIQFBVJMIRQF-UHFFFAOYSA-N 297.442 4.770 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(C(C)(F)F)c2)C1 1180936374 VQWQBNJMIJTMCX-IUODEOHRSA-N 265.347 4.955 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(Cl)c(OC)c1 1205561298 IKGQUQXVJZCNPQ-GFCCVEGCSA-N 267.800 4.895 30 10 CJEE C=C[C@H](OC(=O)/C(C)=C\c1ccc(F)cc1)c1ccccc1 1279069351 IJAATYWBMFMDHD-HWOXTHGCSA-N 296.341 4.700 30 10 CJEE C=CC[C@@H](C)Nc1nc(C)nc2scc(CC(C)C)c12 1306967151 FWMNXEHGENDNSF-LLVKDONJSA-N 289.448 4.575 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Cl)c(OC(F)F)c1 1308635799 SVHCQKOQUZRZKF-SECBINFHSA-N 275.726 4.708 30 10 CJEE C=CCC[C@H](CC)Nc1cc(Cl)cnc1OC(C)C 1308762758 HGOPBCMEHKVKEO-ZDUSSCGKSA-N 282.815 4.679 30 10 CJEE C=CCCCC[C@H](C)NCC1C[C@@H](C)C[C@H](C)C1 1308857695 ZGMWLZYYIXAQSY-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CCCCC(=O)OCc1ccc(-c2ccccc2)cc1 1348610679 FRYFHRDTAMVGLG-UHFFFAOYSA-N 280.367 4.753 30 10 CJEE C=C[C@@H](CC(=O)Oc1ccc(CC)cc1)c1ccccc1 1351738502 OMCIPRZKMSECSA-INIZCTEOSA-N 280.367 4.514 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 1435619959 HTUBTQYQRDOOTD-OALUTQOASA-N 297.442 4.947 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1oc2c(C)ccc(C)c2c1C 1436095122 KNLJDIKIIOLKLR-HNNXBMFYSA-N 297.398 4.539 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1438454885 ABHLASSJIKOFFY-WBVHZDCISA-N 299.458 4.840 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC(c2ccc(CC)cc2)CC1 1470851650 SBQBXZAJNFLTAC-UHFFFAOYSA-N 299.458 4.557 30 10 CJEE C=CCCCN(CCC)[C@@H]1C[C@@H](OCC)C12CCCCC2 1473199773 SICFEEQTRICCMT-QZTJIDSGSA-N 293.495 4.793 30 10 CJEE C=C(C)CN[C@H](C)c1cccc(SC(F)(F)F)c1 1473807229 MDIOUJBTEZOWJG-SNVBAGLBSA-N 275.339 4.525 30 10 CJEE C=CCC1(C(=O)Nc2nccc(C)c2C2CC2)CCCCC1 1531352628 WUHUDXDAOBDJKP-UHFFFAOYSA-N 298.430 4.733 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2s1 1531923314 OZAXZMJQODOBSO-UKRRQHHQSA-N 299.439 4.766 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C 1533810817 IHNFSLJAFQEWHK-FRECMFIJSA-N 291.479 4.866 30 10 CJEE C=CC(C)(C)CCNC(=O)C/C=C/c1ccc(C(C)C)cc1 1533841652 DBDZXLLJMBJQJB-BQYQJAHWSA-N 299.458 4.932 30 10 CJEE C=CCOc1ccc(OC(=O)CC2CCCCCC2)cc1 1539135208 GWYOHDWCSBWYBX-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=CCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1 1584221743 YKKAXFLFHHDAQB-AWEZNQCLSA-N 266.768 4.691 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1586392511 XMHQIEXIUPGIOX-VQIMIIECSA-N 299.458 4.871 30 10 CJEE C=CC[C@H](C(=O)NCC(C)(C)C1=CCCC1)c1ccccc1 1596506371 IXUMDXMEZOYBGU-SFHVURJKSA-N 297.442 4.599 30 10 CJEE Fc1ccc(F)c(C#Cc2ccc(Cl)cc2Cl)c1 1614730529 ARKGTHQOKSAHLS-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)C(C)C)C1 1621285805 KAZVDTMUKWEILZ-FHLIZLRMSA-N 275.411 4.857 30 10 CJEE C=CC(C)(C)CCNC(=O)NC1CCC(CCCC)CC1 1630033116 ZQNJYFZGIANTGA-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H](C)C(C)(C)C 1653368099 XHSGMIXQCARQOK-OAHLLOKOSA-N 251.458 4.737 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(F)cc1)C(C)C 1654290115 IFZVDRYGTVCSQS-SFHVURJKSA-N 275.411 4.696 30 10 CJEE C=CCC1(NC[C@H]2CC[C@H](c3ccccc3)O2)CCCCC1 1654518440 NVGRBABQFRZLNP-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=CCC1(NCc2cc(C(F)(F)F)co2)CCCCC1 1655335866 PEEJDXGPYIDHLA-UHFFFAOYSA-N 287.325 4.667 30 10 CJEE C=C(CNCc1ccc(C(C)(C)C)s1)c1ccccc1 1656350734 POVPTGRNGHNOAC-UHFFFAOYSA-N 285.456 4.849 30 10 CJEE C#Cc1cccc(NCCc2ccc(C(C)(C)C)cc2)c1 1657681870 GYNSMWMMQQRLBQ-UHFFFAOYSA-N 277.411 4.620 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCOC12CCCCC2 1658998773 UPYONCVBJLNZSL-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE C=CCCCC[C@H](C)NCCOc1ccc(F)c(Cl)c1 1659827981 XPTKGRNLFSJCQG-ZDUSSCGKSA-N 299.817 4.582 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Cl)cc2cccnc12 1662044323 ODIWXHNRBCMQTK-ZDUSSCGKSA-N 288.822 4.723 30 10 CJEE 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2171027142 LTSSSKSCPFWFQZ-ROUUACIJSA-N 281.484 4.676 30 10 CJEE C=C[C@H](C)C[C@H](CCCCC1CCOCC1)NCCC 2173290318 LWYLISIGKFRCQI-WMZOPIPTSA-N 281.484 4.554 30 10 CJEE N#C[C@@]1(CCCOC2CCCC2)CCCCC12CCC2 2173627527 XWIARSOEPFPSKO-SFHVURJKSA-N 275.436 4.980 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CCC2(CCC2)CO1 2173663917 XSVAVUBSCKAYFW-MAUKXSAKSA-N 278.436 4.511 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1F 2175532541 GUBAEZDXQUVGAM-MCIONIFRSA-N 285.284 4.841 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCO[C@H]1C)NCC 2177647492 LGBDIEOHXKNGLA-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H](F)C2CCOCC2)CC1 2178220089 QLSZEAXZFYYWOK-RDJZCZTQSA-N 281.415 4.641 30 10 CJEE C=CCCCC[C@@H](NCCC)C1(c2ccccc2)CC1 2179679935 IETBLTBPVQRJDZ-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCOC1(C(=O)C2=CC[C@@H](CC)CC2)CCC(C)CC1 2181664382 XVLWUYVNPBWQFN-SWKXRBFHSA-N 278.436 4.677 30 10 CJEE CCCC(CCC)[C@H](O)C(=O)C1=CC[C@H](C(C)C)CC1 2181674813 VTMHRFWDLJLACE-YOEHRIQHSA-N 280.452 4.515 30 10 CJEE 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CC#CCCCC[C@@H](NCC)C1C2(CCC2)C12CCC2 2203987595 YDPHIMGNEHPSMK-MRXNPFEDSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCCOc1cccnc1[C@H](C)N 2205281601 QTEQBRKFXZVNKK-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H](OCC)C1CCCCC1 2206892681 SYOONFSAIFVTAR-QZTJIDSGSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC(=O)c1cc(Cl)c2c(c1)OCO2 2206896343 DAFIJPQPWQKWHJ-UHFFFAOYSA-N 294.778 4.778 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)CCCCC12CCC2 2206897274 LVQNXDUDXLVWLQ-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCCCN1CCO[C@H]2CCCC[C@@H]21 2207375734 HDGJQJBLNLFBMK-ROUUACIJSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCCCN(C)[C@@H](C)c1ccccn1 2207378225 RONVWSQCEHHIAV-KRWDZBQOSA-N 274.452 4.991 30 10 CJEE C=CCCCCCCCCCN1CCC[C@H](C#N)CC1 2207384137 GLIILIGJJXQGOM-SFHVURJKSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCCOC[C@H]1CCCC[C@@H]1CN 2207431466 GBUXMHSCUFISFB-QZTJIDSGSA-N 281.484 4.685 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCCOC1(C)C 2207431626 HDYVEWVOADYCPO-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCCC(=O)C1(NC)CCCC1 2207440080 WIHOITYOHWDEDK-UHFFFAOYSA-N 279.468 4.785 30 10 CJEE CCCCCC#CCC(=O)[C@@H](O)CCCCCCCC 2207443857 DWQQNNBSMGFAQS-KRWDZBQOSA-N 280.452 4.641 30 10 CJEE C=C([C@@H](NCC)[C@H](O)CCCCCCCC)[Si](C)(C)C 2207444108 GRTMQARFGCLCSW-IAGOWNOFSA-N 299.575 4.510 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C1=CCCCCCC1 2207445622 CCDSEVAEJWJWNO-KRWDZBQOSA-N 280.452 4.948 30 10 CJEE CCCCCCCC[C@H]1C[C@H](N)c2ccc(F)cc2O1 2207466178 BELYDLUJBNATBV-HOCLYGCPSA-N 279.399 4.727 30 10 CJEE Clc1cc(C[C@@H]2CCC[C@H]3O[C@@H]23)cc(Cl)c1Cl 2212885148 XXGBNCQYSHHWMC-KDDOJWQBSA-N 291.605 4.757 30 10 CJEE N#C[C@H]1CCCC[C@H]1SCCCCCC1CC1 2214563139 OLUCKFSSVPWKRB-HUUCEWRRSA-N 251.439 4.772 30 10 CJEE C=CCCCCCCCN[C@@H](C)c1ccsc1 2214617127 FOLJTVVVWJZYLM-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE C=CCC[C@H](C)[C@](C)(N)c1cc(Cl)cc(Cl)c1 2216076830 RSBDAHXIBLHLFY-HZMBPMFUSA-N 272.219 4.770 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccsc1Cl 2217136815 PGGMJUALFPDAOM-SMDDNHRTSA-N 271.857 4.524 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccsc1Cl 2217153487 MIIQAELVXMYBPT-RYUDHWBXSA-N 271.857 4.524 30 10 CJEE CCC1CCC(OCC(CC)(CC)CS)CC1 2217239462 BHYMLTXBJUPBQJ-UHFFFAOYSA-N 258.471 4.708 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H](C)CC(F)(F)F 2220082787 FDTDZTJJBVPKNS-CHWSQXEVSA-N 266.347 4.853 30 10 CJEE CCCCCCCCCCO[C@H](C)[C@@H](C)NCC 2223214548 CZDWDDCTXGOPKZ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)c(F)cc1N 2223242647 QJPIZNJUVPLFGR-SNVBAGLBSA-N 271.763 4.575 30 10 CJEE CCCCCCCCCCO[C@@H](C)CCCNC 2223243408 UYNATKCZPYLYQD-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCCOC[C@@H](CC)NC 2223274151 DMODHDKUGLOLMQ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C1C[C@@H](C)C[C@H](C)C1 2223552842 WIKACOFGAJJEDH-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cocc1C 2223851241 UYDKEKPQDSEABD-OAHLLOKOSA-N 251.414 4.817 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H](C)c1ccc(C)cc1 2223964418 TYLYMFGJCWJDPD-ZBFHGGJFSA-N 265.828 4.609 30 10 CJEE 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CCCCCCCCCOC[C@@H](NC)C(C)(C)CC 2230983267 MDAKJGCNFQVIDO-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCOCCC(CC)(CC)CN 2230990663 QDAFKIPNXFGCDC-UHFFFAOYSA-N 271.489 4.909 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](C[C@@H](C)CC)NCC 2231022167 MERRFWZBCPDBAN-GVDBMIGSSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCOCCC[C@@H](O)C(C)C 2231032072 BXDQZBCAVDUODV-QGZVFWFLSA-N 272.473 4.941 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@H](C)CCC 2231924330 GZYSSUDPQDOZNT-IKGGRYGDSA-N 271.489 4.642 30 10 CJEE CCCCCCCC[C@@]1(C)C[C@]1(C(=O)O)C(F)(F)F 2231941246 PHHJDRGCUJHGNY-QWHCGFSZSA-N 280.330 4.780 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2231946932 ULXCOCOANNRZGK-PDCGBLAGSA-N 263.469 4.617 30 10 CJEE C=CCCCCCC[C@H](O)c1cccc2ccoc12 2232407993 SLAHGNAOOQQDIR-INIZCTEOSA-N 258.361 4.993 30 10 CJEE C=C1CC(CNCCC)(CC2C[C@H]3CCC[C@H](C2)C3)C1 2233678961 JRBMLLIYHWZZQA-IRXDYDNUSA-N 275.480 4.929 30 10 CJEE C=CCCCCCCCCOC[C@@H](NC)C1CC(C)C1 2234049762 YWUGMPBLOOKMFU-DAWZGUTISA-N 281.484 4.554 30 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10 CJEE C=CCCN(Cc1ccccc1)CC1CC2(CC(C)C2)C1 2242063314 SUXCAZDSQWWJOQ-UHFFFAOYSA-N 283.459 4.891 30 10 CJEE FC1(F)CCCC[C@@H]1CSC[C@H](CS)C1CC1 2248092999 SODJRVGNJKASHZ-NWDGAFQWSA-N 280.449 4.501 30 10 CJEE C[C@H]1CC[C@@H](CSCCCCC(C)(C)C#N)C1 2248417711 ISMKHAHGIXWCKI-UONOGXRCSA-N 253.455 4.876 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@H]1N 2250059040 DDCVHOOXNSGDJH-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE CCCCCCCC[S@@](=N)(=O)C[C@@H]1CC12CCC2 2254038353 UWMPGONTJLYTRC-KBXCAEBGSA-N 271.470 4.584 30 10 CJEE CC#CC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2258579574 HZOQBMOXXBDOTE-OAHLLOKOSA-N 284.230 4.756 30 10 CJEE C=C(C)CCCCC(=O)[C@H]1C(F)(F)C12CCCC2 2259161348 LKGZECWCUFOKMT-CYBMUJFWSA-N 256.336 4.518 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@]1(CC)CC1(F)F 2259234203 YZGIYOFYGMLLGG-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@H](CCCCCCOC)NC 2259251210 AFBCNGGUWFOQOC-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCCCCC[C@H]1[C@H](O)C(C)(C)CCC1(C)C 2261439119 RIMFGLIEYPYVLV-GJZGRUSLSA-N 252.442 4.946 30 10 CJEE SCCCCCCCOCC[C@H]1CCCC12CC2 2263162201 JCUTXMOKDIOFNE-OAHLLOKOSA-N 270.482 4.854 30 10 CJEE CCCCCCCCC[C@H](C)NC1CC(CF)C1 2263710980 HFNJYQMDKOAEAX-FHERZECASA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CC[C@@H](C(F)(F)F)C1 2264988574 IGBFOJPKGJJPQJ-MJBXVCDLSA-N 279.390 4.914 30 10 CJEE N#Cc1cccc(F)c1Nc1c(Cl)cc(F)cc1Cl 2265775021 VSMISDNOHAOWDE-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE COC12CCC(CCC=CC#CC(C)(C)C)(CC1)C2 2268740362 CIDDKVYOHXSQKD-UHFFFAOYSA-N 260.421 4.722 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(N)CC=CC#CC(C)(C)C 2268749779 DQOHWOVGRXZWTR-AEFFLSMTSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc(F)cc(Cl)c1 2268755406 SKXQVVFENYGYKH-HNNXBMFYSA-N 280.770 4.508 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC[C@H]2C(F)F)C1 2270040829 CNVFDCNDKCAHPI-HLPPOEQASA-N 272.379 4.843 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@H]1C(F)F 2270072308 BKTISDQOPOYDLX-BFHYXJOUSA-N 273.411 4.638 30 10 CJEE C=CCCCCCCCSc1ccncc1[C@@H](C)O 2271588716 CASQWHXCJOLYSO-CQSZACIVSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCCC(=O)[C@H](O)c1cc2cscc2s1 2271758192 JOLSMUZOKHACLY-HNNXBMFYSA-N 294.441 4.702 30 10 CJEE CCCNC[C@](CC)(CC#CC1CCCC1)C(C)C 2274166190 HQGVPGGOVUNDEC-SFHVURJKSA-N 263.469 4.622 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@H](CC)C(C)C 2276152687 KJZGNAHVKYAFBT-SJORKVTESA-N 269.473 4.539 30 10 CJEE Cc1c(C)c(C)c(CC2(C=O)CCCC2)c(C)c1C 2277465834 UPGVUXANZQGTEE-UHFFFAOYSA-N 258.405 4.531 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC[C@H](C)NCC 2278170941 HJIKQWXWACSNOC-DLBZAZTESA-N 271.489 4.656 30 10 CJEE C#CC1(CN[C@H](C)CCCCCCCCC)CCC1 2278249514 FLKNDHFFMZYNHY-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H]1CCC1(C)C)NC 2280962893 IKPMYPPNGYKLRV-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CC(F)(F)C23CCC3)C1 2281035749 RSLYJSSDRNCBRQ-ZFWWWQNUSA-N 284.390 4.988 30 10 CJEE CCN[C@@H]1CC[C@@H](CC)C[C@@H]1CC=CC#CC(C)(C)C 2284091486 XXJCFMVNFHSEDY-FGTMMUONSA-N 275.480 4.787 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ncc(F)cc1C 2287464732 CEBOBMMAXRMWCS-INIZCTEOSA-N 278.415 4.706 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C(F)(F)C12CCCC2 2287467241 MPISCVUPKMDONJ-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@H](C2CCC2)CS1 2287981306 GGBZSWFXUBAJTH-GDBMZVCRSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@]12C[C@@H](CO1)C2(C)C 2289264274 KZRCMDZQHBZBOO-LZLYRXPVSA-N 281.484 4.660 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1ccc(CC)s1 2289680387 FZUIBYZLKOJCAI-KRWDZBQOSA-N 289.488 4.935 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(C)c(C)c1 2289711751 KLDAEZVMMKDGPU-LJQANCHMSA-N 269.432 4.538 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2289773268 UDABIJRMZYAVNT-INDMIFKZSA-N 274.448 4.538 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc2cc(F)ccc2s1 2289852687 SGYBNFGGCCQHCY-HNNXBMFYSA-N 287.403 4.624 30 10 CJEE CN(C[C@@H](CS)C1CCC1)[C@H]1CC(C)(C)CCC1(C)C 2290328395 BWSQORBCCPJCMZ-HOTGVXAUSA-N 297.552 4.869 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC=CCC1)OCC(=O)O 2291604507 PJEONFRZOVUACY-CVEARBPZSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](OCCCN)c1cnsc1 2292690524 JICMSFSYGKDOEC-INIZCTEOSA-N 298.496 4.690 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CC(C)(C)CC[C@H]1C 2294244015 XGRVGMJFEIODKT-LZLYRXPVSA-N 281.484 4.539 30 10 CJEE CC1(C)CCC([C@](C)(O)C#Cc2ccccc2Cl)CC1 2295243536 VBPYRSOEUIINRT-GOSISDBHSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N(C)C[C@H]1CCCCN1 2295519315 FPOFLRJPCFVORT-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@](C)(C(F)(F)F)O1 2295536317 MQHIRPRREPVVBZ-UONOGXRCSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NCC)C(C)(C)C 2295677762 DNZDQOQSVGKRJS-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCS[C@@H]1CC(C)(C)C[C@@](C#N)(NCC)C1 2295763163 FQVJKTBRUOULIJ-WBVHZDCISA-N 296.524 4.750 30 10 CJEE C=CCC[C@H](C)NCCCCCCCCCCC(=O)O 2296307276 RWGNSOWPUKAHOX-INIZCTEOSA-N 283.456 4.526 30 10 CJEE C=CCC(CC=C)Nc1cc(F)c(F)cc1Cl 2301008224 CTTAYVWPXGIDGU-UHFFFAOYSA-N 257.711 4.551 30 10 CJEE CCC(CC)(CS)COC[C@H]1CCC(C)(C)C1 2302899282 NCRMOOJIHADPJD-ZDUSSCGKSA-N 258.471 4.566 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)c(Cl)c1 2304052557 OYKYTIAGZRUYIR-CYBMUJFWSA-N 272.219 4.856 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@@H]2CC[C@H]1C2 2312904548 COSQPFLTZSSFJH-QZWWFDLISA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC1(F)F)NC 2313722858 PFTWVJHMMLIPOT-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](c1cccs1)C1CC1 2315463772 ULELOWRKEBMXDS-XNRPHZJLSA-N 261.434 4.534 30 10 CJEE CC#CCCCCC(=O)c1ccc(F)c(C)c1Cl 2316600077 AMZGBBQDJZUZEV-UHFFFAOYSA-N 266.743 4.554 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1c(C)ccc(Cl)c1F 2321134022 KZQIEMGWRIQXGY-ABAIWWIYSA-N 269.791 4.650 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C)c(Cl)c1 2321135406 VINVHPOCMMDVRT-CVEARBPZSA-N 265.828 4.901 30 10 CJEE CCCCCCCCC[C@@H](F)[C@H]1CC2(CC2)CN1 2321264002 BEKOONPQZHIHMH-HUUCEWRRSA-N 255.421 4.607 30 10 CJEE N#C[C@@]1([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2329750106 XHJVHINCDUEKBW-SFDCQRBFSA-N 265.347 4.532 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(N)cc1F 2335922195 FJQTZHBYYFQXED-MRXNPFEDSA-N 267.388 4.582 30 10 CJEE CCCCCCCCC[C@](N)(CC)[C@@H]1CCCCO1 2337302615 XXYQHMCZIGPSID-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CC1(C)CCC[C@@]1(C=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339274667 JDMYZVDTMLRCLJ-KONPQCLYSA-N 260.421 4.764 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341893111 KXENZBMZXQVURY-PNKHAZJDSA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@@H](CC1(C)CC(C(F)(F)F)C1)NCCC 2341922245 JJLTYQUHSAUYRP-MOKVOYLWSA-N 277.374 4.690 30 10 CJEE C=C(C)C[C@@H](C[C@@]1(C)CCCCC1(F)F)NCCC 2341928061 DPBFGRWOUDJNHE-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=C(C)C[C@H](C[C@H]1CCC[C@@H]1C(F)(F)F)NCCC 2341930151 SCROHJQYBPJBSK-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=C(C)C[C@H](CCC=Cc1ccccc1)NCCC 2341931904 UNOHZBGKLAACSC-SFHVURJKSA-N 257.421 4.814 30 10 CJEE C=C(Cl)[C@H](O)CC[C@@H](c1ccccc1)C1CCCC1 2342473251 RQYHLINWXORSCB-DLBZAZTESA-N 278.823 4.854 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@@H]1CCC(F)(F)C1 2344341691 DPQMSLJQYVSXOM-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2344354772 BZXGKYGXERSEMS-OUCADQQQSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC(F)(F)C1)NCCC 2344378302 UXGTWFDOECHDHH-HUUCEWRRSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ncsc1C1CC1 2344628347 NCLYDNFAOJHLPU-OAHLLOKOSA-N 278.465 4.664 30 10 CJEE CC(C)C[C@@H](CS)COC1CC2(C1)CC1(CCC1)C2 2353830085 JHMKJKFHUYVUTJ-CQSZACIVSA-N 282.493 4.708 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(OCCC)cc1 2360198752 NPJHHILJIQGBFQ-HNNXBMFYSA-N 273.420 4.647 30 10 CJEE CC(C)c1ccc(/C=N/Nc2ccc(Cl)cc2)cc1 6377395 IPUGXRCWCBKPRY-WOJGMQOQSA-N 272.779 4.909 30 10 CJEE N#C[C@H](CCOc1ccc2ccccc2c1)c1ccccc1 57684691 KHHMVQZWHUCSFM-IBGZPJMESA-N 287.362 4.916 30 10 CJEE Cc1ccc(C[C@H](C#N)c2c(F)cccc2Cl)cc1 57723248 KODIJQUPVSLBRJ-CYBMUJFWSA-N 273.738 4.637 30 10 CJEE Cc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1 62167842 DUBBZPHQEAJAQF-MDWZMJQESA-N 280.367 4.678 30 10 CJEE Cc1c(Cl)ccc2c(CS)cc(C(C)C)nc12 82468258 YVPZVTDVQNWOEC-UHFFFAOYSA-N 265.809 4.750 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)CC1 86922678 PLKQTCNVHZICSR-ZBFHGGJFSA-N 256.393 4.719 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccccc2C2CC2)CC1 94529331 RYFLPYFEJACFKG-WHDUELSGSA-N 283.415 4.708 30 10 CJEE CCCn1c(-c2sccc2CC)nc2cc(C#N)ccc21 94532866 ZWJRRNGRADRTKM-UHFFFAOYSA-N 295.411 4.609 30 10 CJEE CCCC[C@@H](CC)COC[C@@H](CS)c1ccccc1 94584027 SGZPYJFQWAVIOU-WBVHZDCISA-N 280.477 4.933 30 10 CJEE Fc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 100031807 PVVWGNIOVJHTDJ-CAOOACKPSA-N 268.118 4.883 30 10 CJEE Cc1ccc(C(=O)/C=C\C(Cl)=C\c2ccccc2)o1 104174933 ZPNUKXRNQXMBBP-YSXFELKLSA-N 272.731 4.607 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)ccc1OCCC 107583248 QPVQMNHHQQGNRC-GFCCVEGCSA-N 250.769 4.646 30 10 CJEE C#CC[C@H](CC)c1c(OCC)cc(C)c(Cl)c1C 107623747 LKRGPSFXPVLYKX-ZDUSSCGKSA-N 264.796 4.872 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(C)c1)NCC 109731939 OQYBLRLBSCVQOX-SFHVURJKSA-N 261.453 4.876 30 10 CJEE CCCCCCCc1nc(C2CC2)n(CCCC)c1N 110056242 VGKLDOXYVJROBC-UHFFFAOYSA-N 277.456 4.656 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C(C)C)CC[C@@H]1NC 110084016 HQFIYTOSORDUMY-SQNIBIBYSA-N 283.500 4.776 30 10 CJEE CCCCCCCCC(=O)Nc1nc2ccccc2s1 110442716 YWLKTHYPTUOPHM-UHFFFAOYSA-N 290.432 4.985 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@H](N)C1 112200417 QIFOPWFPGOVHSB-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@H]1CCC 114060535 QQMQIHIHAKXTTH-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 128813720 OEXWEWQNWHKORE-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(C)cc(Cl)c1 130028094 AGTHNDXXGJALAF-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE CCSc1cccc(Sc2ccccc2O)c1C#N 137071699 RXYCDTAZAOIZMY-UHFFFAOYSA-N 287.409 4.527 30 10 CJEE CCCCCCCOc1ccc2c(CO)cccc2c1 143925232 RKPDCQDGRXYUSF-UHFFFAOYSA-N 272.388 4.681 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(Cl)cc2F)C1 165705701 MQILHYBWXAUNSV-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCO[C@H]1C1CC1 166101888 CQXQVKQFPYZYFL-ZWKOTPCHSA-N 281.484 4.661 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1C[C@@H](C)N 166203482 CMVRUARADVWUNH-CQSZACIVSA-N 297.870 4.969 30 10 CJEE C[C@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1F)C(C)(C)C 213712975 GNAKMMSNVWSWJJ-ZYHUDNBSSA-N 295.785 4.728 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(Cl)c(F)c2)c1 215069440 LUUFGZKEDPPDJS-NSHDSACASA-N 273.738 4.634 30 10 CJEE CCCCCCCCN[C@@H]1CCOC(CC)(CC)C1 215585906 LTDOVSFQQVCMKI-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCC(=O)[C@H](OCC)C1CC1 227420690 FUJTUGSUFRHNMA-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE C=C(CC)C[C@H](NC)c1cc(C)c(Br)c(C)c1 228386437 IMZFQWNRWZZKEQ-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)C1 228601640 DOSWVFUJSBCMOB-BDATZHSQSA-N 291.479 4.920 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](N)c2ccccc2O1 229096995 ZBYYYSOKRYRPRI-DOTOQJQBSA-N 261.409 4.588 30 10 CJEE CC(C)C(CNc1ccc(C#N)c(Cl)c1)C(C)C 229567525 FTISFKCZZIYLHJ-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE O=C1C=C(Cc2cc(Cl)ccc2Cl)CCCC1 230163827 HACHYJUXWCBMDM-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE CCCCCCCCOCCC[C@H](CC)NCCC 232959500 DSJJKARIBDDAIN-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCc1c[nH]c2c([N+](=O)[O-])cccc12 232959809 DRLZHNUAESMQTI-UHFFFAOYSA-N 260.337 4.589 30 10 CJEE COc1cc(CSc2cccc(Cl)c2)ccc1C#N 234973696 QMKZTBKHQVAHSI-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE C[C@@H](CC(=O)C1=CCCCCCC1)c1ccc(N)cc1 235079565 YRYAXZBZWUGEEZ-AWEZNQCLSA-N 271.404 4.612 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1F)c1ccccc1Cl 235231445 WYBKMHUIVZYMHA-SECBINFHSA-N 292.716 4.663 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)C1CCCCCC1 235506448 ITHQONUIKIIYSL-HNNXBMFYSA-N 264.457 4.655 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)[C@H]1C 253109818 WSRINAQJFOSIME-CMURFVSUSA-N 290.495 4.707 30 10 CJEE FC(F)(F)c1cccc(N=Cc2c[nH]c3ccccc23)c1 254296050 XLDXPJATSYYKQB-UHFFFAOYSA-N 288.272 4.937 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(F)c1 307909953 UNDKYFKKEAUDHM-GOEBONIOSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@@H]1NC(=O)C12CCCCC2 311411606 IRGXAWYMGYZHIU-HNNXBMFYSA-N 265.441 4.576 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30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 322395867 QBKFBNVRGCVFIA-CQSZACIVSA-N 282.309 4.568 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)cc(F)c1 379921625 DAPBVBMQGCQQRU-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE C=CCCC[C@@H](NCCC)c1csc(Cl)c1 393898948 BDRPFNNZDPNPSX-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE Cc1ccccc1N[C@@H](C#N)CCC1CCCCC1 395162584 UXISAJUIIWRAQD-MRXNPFEDSA-N 256.393 4.660 30 10 CJEE CN(CCCC(C)(C)C#N)c1cccc2ccccc12 472430141 IJLJCIRABQMALF-UHFFFAOYSA-N 266.388 4.606 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2ccc(F)cc2)o1 545197184 MMIOORPDXBIWAZ-NSHDSACASA-N 292.379 4.713 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](CC)CC(F)(F)F 686703835 MCPUKAGCNAEMNP-LSDHHAIUSA-N 291.401 4.917 30 10 CJEE CC(C)C(C/N=C1/NC2(CCCCC2)CCS1)C(C)C 687315931 FSOQAYNRTXBRBR-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE CN(CCCCCCCCCS)C[C@@]1(C)CC1(F)F 689204944 MQCQGOZEWDBHJT-CQSZACIVSA-N 293.467 4.624 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C(N)=S)C1 694552928 LPUKOHZNEUZHGP-MRXNPFEDSA-N 298.540 4.515 30 10 CJEE 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C=C[C@@H](CC)CC(=O)NC1CCC(C)(c2ccccc2)CC1 1356082009 MVQRCLUGANEKGZ-VQSBYGRUSA-N 299.458 4.605 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C(C)=C\c1ccccc1Cl 1357587578 SLVRRNJHBSOMSP-DINCDJDBSA-N 291.822 4.604 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC[C@H](CC)C1)c1ccccc1 1435394796 DLJWVOUFLIAOQF-HKUYNNGSSA-N 299.458 4.775 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(C2CCCC2)c1 1439844771 JLRFVUYNOOGIJN-IBGZPJMESA-N 297.442 4.915 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](C)CCCCCC)c1ccccc1 1440870618 CMXIZZUHRDHUOT-FUHWJXTLSA-N 287.447 4.821 30 10 CJEE C=CCCCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1459962446 MOSUBOVCRBIBFL-ZBFHGGJFSA-N 297.364 4.897 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 1462564343 HZWNVACOCYLMIX-HOTGVXAUSA-N 287.447 4.523 30 10 CJEE C=CCCC(C)(C)NC(=O)NC1CC(C)(C)CC(C)(C)C1 1469618567 PJMPTHSUUJONRW-UHFFFAOYSA-N 294.483 4.635 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 1525816157 JSUIGSWLNJRUTH-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C1CCC(c2ccccc2)CC1 1536776904 DLTCRBUJBPZFHC-IPJUCJBFSA-N 299.458 4.821 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](C)c1ccccc1C)c1ccccc1 1538938532 MJUDISMWBSRURQ-QFBILLFUSA-N 294.394 4.959 30 10 CJEE C=CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)o1 1540113603 DHEMHUSCXCEJOQ-UHFFFAOYSA-N 293.366 4.528 30 10 CJEE C=C1CCC(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 1544375819 ZYIHATQLRYJHHF-VQIMIIECSA-N 297.442 4.733 30 10 CJEE C=C(C)c1cccc(NCc2cn3cc(Cl)ccc3n2)c1 1560611935 PZWWIIHKQFBHMO-UHFFFAOYSA-N 297.789 4.633 30 10 CJEE C=CC[C@H](CC)NC(=O)CCCCc1ccc(Cl)cc1 1586212601 ZDQBCPQFVMTTSD-INIZCTEOSA-N 293.838 4.524 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(C3CCC3)cc2)CC1 1586291130 BSAJGIUQEAFAOY-UHFFFAOYSA-N 269.388 4.639 30 10 CJEE CCc1ccc(C#Cc2cc(Cl)ccc2Cl)cc1 1614827254 RNWOFQGKZXDTRS-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1c(F)cccc1Cl 1623583218 WSMKPLQMHHDECC-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CC(C)(C)CCCNC(=O)/C=C/c1ccc(Cl)s1 1625513134 YEEWTSLEKAMAJN-VQHVLOKHSA-N 297.851 4.523 30 10 CJEE 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4.541 30 10 CJEE C[C@@H]1CC[C@H](CS[C@H]2CCCCC[C@@H]2C#N)C1 2248418305 OQLUVLHTHUPPEB-BARDWOONSA-N 251.439 4.628 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(Cl)c(C)c1 2250159200 OOUYQNVMWPJWBM-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE C=C(Cl)C[C@H](NCC)C1CC(CC(C)(C)C)C1 2251541472 FEVRHAWNBQQRLM-RUXDESIVSA-N 257.849 4.570 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1cc(Cl)c(OC)cc1Cl 2255401436 IJUHTSMIHPTDHF-OTYXRUKQSA-N 289.202 4.638 30 10 CJEE CCCC[C@@H](CC)Oc1cccc(SC)c1C#N 2258821994 FWGZPBQELKQEDW-GFCCVEGCSA-N 263.406 4.628 30 10 CJEE C=CCCCCCCCSC[C@H](CC1CC1)NC 2259069683 DGZDWUBCAMQTGS-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC 2259192314 DWSBEAIDJYEEJQ-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](NCC)CC(C)(C)C1 2259235714 SJAFARMOPWECIT-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@H]1C[C@@H]1C1CCCCC1 2259240512 BOFBTLFPVYFIQJ-ZACQAIPSSA-N 250.426 4.700 30 10 CJEE Cc1cc(N[C@H]2CCCC[C@@H]2C#N)c(Cl)cc1Cl 2263169511 LJWAZSNWLHLSAP-MFKMUULPSA-N 283.202 4.796 30 10 CJEE CC1(C[C@]2(C=O)CCCCC2(C)C)CC(F)(F)C1 2263636185 PTTJBWOVVMLUCF-AWEZNQCLSA-N 258.352 4.597 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C#CC1(O)CCCCCC1 2264365786 ZEOFFHFUBYQTRM-UHFFFAOYSA-N 297.225 4.739 30 10 CJEE CCCCCCCCNCC1(C)CC(C(F)(F)F)C1 2264694336 VFIRGLRHRQXIDE-UHFFFAOYSA-N 279.390 4.915 30 10 CJEE C=C1CC([C@H](CC[C@H]2CCCCC23CC3)NCC)C1 2264861635 GZNDDQBCWNREQC-SJORKVTESA-N 261.453 4.681 30 10 CJEE CCCCCCCCCCCOc1nc(C=O)cs1 2265358145 ACLYISNBEQBWIV-UHFFFAOYSA-N 283.437 4.865 30 10 CJEE Cc1cc(N[C@H]2CCC[C@H](C)CC2)cc(C)c1C#N 2265854340 PZHLIFXQBSYBQD-WFASDCNBSA-N 256.393 4.556 30 10 CJEE CC(C)[C@H]1CCC[C@@](N)(CC=CC#CC(C)(C)C)C1 2268752338 JIDSPGCRWXMBKW-WMZOPIPTSA-N 261.453 4.526 30 10 CJEE C[C@H]1C[C@@H]1CCCCOc1cc(Cl)c(F)cc1C#N 2268801010 PKMOVLPWATYVTB-QWRGUYRKSA-N 281.758 4.556 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1sccc1F 2268814022 RSNXZGVIPZNECU-AWEZNQCLSA-N 279.424 4.534 30 10 CJEE Cc1cc(NCC=CC#CC(C)(C)C)c(F)cc1Cl 2268821949 GGPDCBRXPGPYPK-UHFFFAOYSA-N 279.786 4.805 30 10 CJEE C=CCCCSC[C@@H](N)c1ccc2ccccc2c1 2271486126 UJPCHIDGVLISEQ-QGZVFWFLSA-N 271.429 4.539 30 10 CJEE C=CCCCCCCCSc1cccc([C@H](C)O)n1 2271590862 NQUGFUZRFZJRMM-AWEZNQCLSA-N 279.449 4.754 30 10 CJEE CCC[C@H](CC)[C@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2272107670 FNKDRQSMYIRWEK-YQQAZPJKSA-N 265.441 4.674 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1cscc1C(F)F 2274065047 CECSAMULWYTGPR-AWEZNQCLSA-N 283.387 4.530 30 10 CJEE C=C1CCC(CN[C@H]2CC(C)(C)CCC2(C)C)CC1 2274490717 WYDVPTVKVJRCOP-INIZCTEOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@H](OCCN)C1CCC1 2277345180 DVYGKGDOQALOIO-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CC1(C[C@H](OCCCN)c2cc(Cl)cs2)CCC1 2277352161 QFFKVPUWQPILKX-ZDUSSCGKSA-N 299.867 4.554 30 10 CJEE N#C[C@@]1(C2C3CC4CC(C3)CC2C4)CCCC12CC2 2277568549 QYMNVSBNTSZPAI-JHRMKZCVSA-N 255.405 4.533 30 10 CJEE CCCC[C@H](CC)CSCc1sccc1C#CCO 2278373212 WYPGGVNULKFJAZ-AWEZNQCLSA-N 296.501 4.542 30 10 CJEE C=C[C@H](C)C[C@H](CC1(C)CC(C(F)(F)F)C1)NCCC 2279507799 HGNLNDYFPKOXGD-FGZQJIAISA-N 291.401 4.936 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC(C)(C)CCO1 2280275166 YYJURISCFWGCEW-DLBZAZTESA-N 283.500 4.920 30 10 CJEE Cc1cc(N[C@H]2CCC23CCCCC3)cc(C)c1C#N 2280586236 SXYVIWGANHBOOV-KRWDZBQOSA-N 268.404 4.700 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(CCC)cc1)NCCC 2283544161 FYCFQDMKFHTUPM-QFBILLFUSA-N 273.464 4.762 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(Cl)c(F)c1 2284085652 HGKVCFJOPKLXAS-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE CCSc1cccc(OCCCC[C@@H]2C[C@@H]2C)c1C#N 2284144854 CERDMXSVOZDSIA-UONOGXRCSA-N 289.444 4.875 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@]1(C)CCCC(F)(F)C1 2284186061 WPORCCYOCLYKKM-GOEBONIOSA-N 283.406 4.525 30 10 CJEE C=CCCCSc1c(CNCC(C)C)ccc(F)c1F 2287177893 KSDRRRZUWUSYHE-UHFFFAOYSA-N 299.430 4.769 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@H](O)CCCCCCCCC 2287389220 BOHFQTORYHHXJN-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2CC3(CC(F)C3)C2)C1 2287784646 BMWJIWCNYPACLV-UHFFFAOYSA-N 279.443 4.629 30 10 CJEE CCCCCCCCCCN[C@@H](CC)[C@H](C)CN(C)C 2288713586 UHPRBSCEZAINOA-MSOLQXFVSA-N 284.532 4.693 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1ccc(SCC)cc1 2289698469 RUQZPFYZWAHOFN-GOSISDBHSA-N 287.472 4.643 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1C(C)=CCC[C@@H]1C 2289852864 UUSROGJDQYHOLG-UHOSZYNNSA-N 273.464 4.541 30 10 CJEE CC[C@@H]1CC[C@@](CC#CC2CCCC2)(CNC2CC2)C1 2289899983 XGDRQXCREDADPJ-VQIMIIECSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)C1(C)CCC1 2290873309 QAOLASUFLUMLCP-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CC[C@H](C(C)C)C1 2291939197 CWNBJYPEPFIEGL-DOTOQJQBSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1=CCCCC1 2293213487 KCZGNQKAQWYAER-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1CCC(C)(C)C1 2293323285 VIAAIRUWQJMZBR-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CC1(C)C)OCCCN 2293639541 OIVZLFGTGGOOND-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC1(OCCCN)C[C@H](C)C[C@@H](C)C1 2293654411 GWVXOSYUXQWLMJ-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](CCC(F)(F)CC)OCCCN 2294138768 KEEZAILGRKMKEY-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2cc(C)sc2C)CCC1 2294558596 DQEKSCSKKYVASY-MRXNPFEDSA-N 293.476 4.518 30 10 CJEE CCCCCCCCC[C@](C)(OCC(C)(F)F)C(=O)O 2295596968 POWPRYRKCMEVJW-AWEZNQCLSA-N 294.382 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NCC12CC(C1)[C@@H](C)O2 2295674886 WIELIFCASQZOFH-MRLCAUJQSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@H]2CC[C@H]1O2 2295677187 AZRXGOHEIKFYFO-WNRNVDISSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)c1cccs1 2295678829 KBKIFXPGNCLVSA-IRXDYDNUSA-N 297.508 4.900 30 10 CJEE CCCCCCS[C@H]1CC2(CCC2)C[C@@](C#N)(NC)C1 2295693273 DIDWGTGZFRPYNO-RDJZCZTQSA-N 294.508 4.504 30 10 CJEE C=CCCC(=O)CCCc1cc(Cl)cc(Cl)c1 2302403483 LYMRGGYCRBBZLA-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Br)cc1C 2304021444 HZJMYCULVZISCQ-HUUCEWRRSA-N 296.252 4.750 30 10 CJEE C=CCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2306198886 GCPZAZGEHQOUNL-ZDUSSCGKSA-N 276.182 4.879 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2309894217 YZIGVJAJHLOKSJ-TWMKSMIVSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1csc(C(F)(F)F)c1 2316748973 GDMMOCYDIIINTO-GFCCVEGCSA-N 276.323 4.569 30 10 CJEE CCCCCCCCC[C@@]1(F)CCC2(CNC2)C1 2317513579 NSPIHKBJOBYGRP-MRXNPFEDSA-N 255.421 4.609 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)c(C)c1F 2321128989 YBIAWNFNOXRNLX-ZUZCIYMTSA-N 269.791 4.650 30 10 CJEE CC[C@H]1CCC[C@@H](OCC2(CS)CC(C)(C)C2)C1 2321741847 SBIKXKJOPLZEGP-UONOGXRCSA-N 270.482 4.708 30 10 CJEE C=CCC(CC=C)SC[C@H](CCC1CC1)NCCC 2340821658 IQGQWZZTZDLVNE-INIZCTEOSA-N 281.509 4.799 30 10 CJEE CCCCCCCOC[C@H](CC1CCC1)NCCC 2340863920 JIKZHGFQRBGANI-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC(C)=CCC[C@@H](C)Oc1cc(Cl)c(C#N)cc1F 2341798529 IBFRLKPPBSTQEY-LLVKDONJSA-N 281.758 4.864 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(C2CCC2)c1 2344337198 OSMUJLKRDWONDE-QZTJIDSGSA-N 257.421 4.946 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCC(F)(F)C(F)(F)F)NC 2344343380 OISNQGJCUPHKGV-WDEREUQCSA-N 287.316 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21 2344346249 QTVSMXIRJUPHTQ-LTIDMASMSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)c(C)cc1C 2344375590 DAXMGYWBZKBHDW-KRWDZBQOSA-N 259.437 4.865 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC2(C1)CC21CC1)NCC 2344397557 SPVHGCIHJRSGDA-SWKXRBFHSA-N 261.453 4.537 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc(C(C)C)ccn1 2352990169 FSAAKHSECSCUJS-QGZVFWFLSA-N 261.409 4.765 30 10 CJEE CCCCCCCCCOCC(=O)[C@]12CCC[C@@H]1C2 2353387452 IKKUNONFVOEPEV-WBVHZDCISA-N 266.425 4.513 30 10 CJEE CCCCC#C[C@@H](C[C@H](OCC)c1ccccc1)OCC 5308139 QZNDRLMMDWHQBL-OALUTQOASA-N 288.431 4.753 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccccc1C(F)(F)F 19921546 QZBGSLBUAUWRQH-NSHDSACASA-N 290.288 4.750 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC(C)(C)c3ccccc32)c1 20525501 GAKKCWSHXHJSIN-LJQANCHMSA-N 275.395 4.893 30 10 CJEE CCCC[C@@H](CC)COCCCOc1cccc(C#N)c1 37138744 VXUWICRVDPZLCK-MRXNPFEDSA-N 289.419 4.560 30 10 CJEE Cc1cccc(OCCCC[C@@H](C#N)c2cccc(F)c2)c1 57688426 YVHUIKHIVXMFLG-KRWDZBQOSA-N 297.373 4.991 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Cc2ccccc2Cl)c1 57724224 LVPIUZLQNCLQTL-OAHLLOKOSA-N 269.775 4.807 30 10 CJEE CCCCCCCC(=O)CC(=O)c1cc(C)ccc1OC 59095430 KLTAJSIXHZZFIC-UHFFFAOYSA-N 290.403 4.506 30 10 CJEE N/C(=N\c1cccc(Cl)c1Cl)C1CCCCC1 62989380 SZEPFFYEEHYTRB-UHFFFAOYSA-N 271.191 4.562 30 10 CJEE CCCOc1ccccc1-c1cc(CC#N)c(C(C)C)o1 77079208 BCSFCIQENNNNLM-UHFFFAOYSA-N 283.371 4.925 30 10 CJEE CC[C@H](CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C(C)C 80458560 VLHVBZQKFWWTID-CHWSQXEVSA-N 292.448 4.515 30 10 CJEE Cc1ccc(C(F)(F)F)cc1Nc1ccc(C#N)cc1 91480114 FOQWRYBNSDBTID-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)nc2ccccc12 97419578 OLYXDOZGXXNUFH-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCC[C@H](NC(C)C)c1nc(C)cs1 104444988 JGVAZIWRIHYAPO-AWEZNQCLSA-N 268.470 4.851 30 10 CJEE CCCCCCC[C@](C)(NC1CC1)c1nc(C)cs1 104447006 LIYNKAWSJIASME-INIZCTEOSA-N 280.481 4.779 30 10 CJEE CCCCCCCCOCCCC[C@](C)(C#N)NC1CC1 106113108 RPBRYZRDPRQVMB-GOSISDBHSA-N 294.483 4.568 30 10 CJEE CCCCCCCn1cc(CNC)c2cc(Cl)ccc21 107019122 HWFXHIHBDPKSBO-UHFFFAOYSA-N 292.854 4.985 30 10 CJEE CCCCCCCOCc1cc(CNC(C)C)oc1C 107345216 JXOTYGKNLNMXLB-UHFFFAOYSA-N 281.440 4.573 30 10 CJEE CCCCCCCCCCN(CC)C1C[C@@H]2CC[C@H](C1)N2 109687820 NOSMGHIOLKBYIW-DFNIBXOVSA-N 294.527 4.732 30 10 CJEE CCCOc1ccc(Oc2ccc(Cl)cc2C#N)cc1 110261636 MTLBZTNGSLEMMJ-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)C2CC2)C1 110264731 QYSJOEHOBGGVFO-LZLYRXPVSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCn1nc(C)c([C@H](C)NCC)c1C 110267788 VRNKRYOTLYNIQP-HNNXBMFYSA-N 293.499 4.921 30 10 CJEE CCCCCCC[C@@H](O)Cc1cc(Cl)ccc1OC 114875659 SHXQEWOLSCSHDM-OAHLLOKOSA-N 284.827 4.613 30 10 CJEE CCCCCCC[C@@H](N)CSc1ccc(C)cc1 117404507 VLZXGRMGVSQOBJ-OAHLLOKOSA-N 265.466 4.775 30 10 CJEE CCCCCCCC[C@@H](O)[C@](C)(CC)N1CCCCC1 118162358 ZAFPRQSYGXEIKT-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1COc2ccccc21 124904304 XJYZGKCHIXBEGY-ROUUACIJSA-N 289.463 4.891 30 10 CJEE CCCCCCCCC[C@H](CSC1CCCC1)NN 126629661 MWXQSMCZANEFPM-OAHLLOKOSA-N 286.529 4.635 30 10 CJEE CCCCCCCCCCNCc1cc(C)ccc1O 129284075 OCPSKJMVWAYHFX-UHFFFAOYSA-N 277.452 4.931 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](OCC)C(C)(C)C 131700523 RHCJHFISAJHWPB-CVEARBPZSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCCNCC[C@H](O)CC 135038498 KATBNSSBOKFNTD-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CCCCCCCCC[C@H](O)c1snnc1CCC 135353651 SNCFLNBPEWOENF-AWEZNQCLSA-N 284.469 4.665 30 10 CJEE CCSc1cccc(N[C@@H]2C[C@@H]2c2ccccc2)c1C#N 136652502 IBMRIMYNLWLNAT-RHSMWYFYSA-N 294.423 4.638 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)NCCC)nc1 149077612 DKRWEEWOIUPPOS-INIZCTEOSA-N 292.467 4.882 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1F 161102264 TUQJHLSNRJQVFR-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=CCCC[C@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 219168501 URQZBLCYZMJAMQ-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CCC[C@H](Nc1c(C)cccc1C#N)c1cccs1 221029418 FAVMCNXPCWUFAD-AWEZNQCLSA-N 270.401 4.882 30 10 CJEE Cc1cccc(C#N)c1Oc1ccc2ccccc2c1 221138414 KRZSOYSBWSIPNB-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CCCC[C@@H](CCC)Nc1ccc(Cl)cc1C#N 226031658 DMTJACROFWGJFJ-CQSZACIVSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CC[C@H](O)C1 227692594 AAAOFVAQJXCYSR-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@@H](NC)c1cncc(OC(C)C)c1 229134912 YQNFCHYCFYTLSF-GOSISDBHSA-N 292.467 4.880 30 10 CJEE CCCCCCCCCCNC[C@@H]1CSCCS1 229604161 KERADOAZHBCAKS-OAHLLOKOSA-N 289.554 4.565 30 10 CJEE C#CCCCN[C@H](c1cccs1)c1ccc(Cl)s1 229821514 LHPLZQGOHQUERH-CQSZACIVSA-N 295.860 4.555 30 10 CJEE C=CCCC[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC 232118790 WNSNDYPEDDCFHU-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE N#Cc1ccc(NCCCCc2ccccc2)c(Cl)c1 236029090 QREUQSUMAKCCFE-UHFFFAOYSA-N 284.790 4.646 30 10 CJEE Cc1ccsc1C=Nc1ccc(OC(F)(F)F)cc1 254507721 GQOJWNYHEVKKAD-UHFFFAOYSA-N 285.290 4.706 30 10 CJEE CC(C)(F)c1cc(F)c(F)c([C@@H](CC#N)C2CC2)c1 260009663 AMSXFZMEDOEESJ-NSHDSACASA-N 267.294 4.577 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 300258587 XQJARFVQDSRINK-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCN[C@H](C#Cc1ccccc1)c1cc2sccc2s1 315129090 RIJFJQXTMHQLOE-CQSZACIVSA-N 297.448 4.665 30 10 CJEE O=CC1(Cc2ccccc2C(F)(F)F)CCCCCC1 316517224 DNCPUKBMTKGEQN-UHFFFAOYSA-N 284.321 4.787 30 10 CJEE CCC[C@@](O)(C1CCC1)C1(C#N)CCC(C(C)C)CC1 322880277 APJGJHFGRIRMCU-VMWRSERWSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@@H](NN)c1cccc2ccsc12 386507327 BIIYZNWWQZMSGC-OAHLLOKOSA-N 274.433 4.542 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCC1(F)F 390643511 HVJXKPLNEQZXTF-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CCCCCCCOc1cccc(Br)c1C=O 394743660 JYZMSCWKUVEUIN-UHFFFAOYSA-N 299.208 4.611 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1NC[C@H](C#N)C1CCCCC1 397320936 QLQZREJWUZAWKH-OKZBNKHCSA-N 276.468 4.511 30 10 CJEE CC[C@@](O)([C@H]1CC1(C)C)C1(C#N)CCC(C(C)C)CC1 397739080 YMRCHASWFQUFRT-QZOMQWOVSA-N 277.452 4.530 30 10 CJEE C[C@@H]1CC[C@H](NCC2CCC(C#N)CC2)c2ccccc21 442875095 VNJRMCAFQIANED-XTUQQUOLSA-N 282.431 4.545 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2cccs2)o1 539273567 VVMQZUJQJCFBFB-SNVBAGLBSA-N 280.418 4.635 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1CCCC12CC2 686691740 QWYHDHSTLXBBCO-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 686708425 DSSRFPWIFSYIDU-FJIDUMEYSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(SC)c1 686993280 HIMVBPPEUNZCIF-OAHLLOKOSA-N 251.439 4.769 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OC2CC2)c1F 688675999 PETBVFVOLAZXPP-HNNXBMFYSA-N 280.383 4.761 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(C2CCC2)cc1 690281582 FABFIEKJZIRZKF-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE CCCCCCCCCN(C)C1(C#N)CCCCC1 690453491 OJZDYKYXJKTWKE-UHFFFAOYSA-N 264.457 4.895 30 10 CJEE C=CCC1(Nc2ncc(Cl)cc2Cl)CCCC1 690754759 PWIJJIOQKPYJAD-UHFFFAOYSA-N 271.191 4.689 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)ccc1C 692270687 FXNOGLZOKFSDEB-FUHWJXTLSA-N 257.421 4.528 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCC12CCCC2 694273608 YFMIBZHPKIGHDE-MRXNPFEDSA-N 295.536 4.911 30 10 CJEE N#Cc1cc(Cl)ccc1NCCC1CCCCCC1 695658971 DJEAKGWRQVXWBB-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE CN(C[C@H]1CCCC2(CC2)C1)c1cccc(Cl)c1C#N 696195733 OSGIEURNWFNIKK-ZDUSSCGKSA-N 288.822 4.618 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)sc1C 709376443 KCEMGXCOYLWFJJ-GOEBONIOSA-N 263.450 4.589 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCCC[C@H]1C1CC1 709999562 UTENNBLKRCPHBS-DLBZAZTESA-N 295.536 4.767 30 10 CJEE CCCCCCC[C@H](NCC)c1cnn(C(C)(C)C)c1 714273807 RVALPEUXKLVGHE-INIZCTEOSA-N 279.472 4.649 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(F)ccc1C(F)(F)F 715751818 FBFAPZAFIIBYSL-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cscc1C(F)F 717187315 FHINKJHNQREJDF-LLVKDONJSA-N 279.783 4.869 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@@H]1NC 719227522 RXLVXHIVPANVPR-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](C)C[C@@H](C)C1 723762622 ALVLJCKFHRRMKZ-HZPDHXFCSA-N 285.541 4.871 30 10 CJEE C[C@@H]1CC(C#N)(Cc2cccc(Cl)c2Cl)C[C@@H](C)O1 724287876 CWIZCHRAHUKXCU-GHMZBOCLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc(OC(C)C)c2)CC1 724558816 DUIVTWFDSNPNHA-GOSISDBHSA-N 274.404 4.644 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H](CC)CC(F)(F)F)CC1 724561016 VFMLBZRVTJRDST-ZIAGYGMSSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2CCCc3sccc32)CC1 724608789 ZDCNKBHQOSBNPZ-NVXWUHKLSA-N 289.488 4.893 30 10 CJEE C=C1CCC(C[C@H](N)[C@]2(C)CC[C@@H](C)C2(C)C)CC1 724620477 ZHQGWFVFGNVJDB-HFTRVMKXSA-N 263.469 4.913 30 10 CJEE CC/C(=N\OCc1ccc(C#N)cc1)c1ccc(Cl)cc1 821219373 LBXJKZJOBBCOPD-LVZFUZTISA-N 298.773 4.543 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(C2CCCC2)cc1 1127518191 AVDYESBAJPTHGX-OAHLLOKOSA-N 285.431 4.819 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(C(=O)OC)c(C)cc1C 1180944567 WFLVVEFATBDNCV-OAHLLOKOSA-N 289.419 4.637 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(C)c(Cl)cc1C 1289491696 BGMXUWNMOCDWQI-CQSZACIVSA-N 291.822 4.528 30 10 CJEE C=C(C)CCN1CCC[C@@H]1c1ccc(C(C)C)cc1 1307651951 WTULDCZTEOKANJ-GOSISDBHSA-N 257.421 4.913 30 10 CJEE C=C(C)CN(CC)C/C(C)=C\c1ccccc1OC(F)F 1308653138 PMFHAGKUOQDFDV-UVTDQMKNSA-N 295.373 4.589 30 10 CJEE CCCCCCCc1nnc(-c2cccc3cccnc23)o1 1345814100 YGFMEBBTSRVBTE-UHFFFAOYSA-N 295.386 4.798 30 10 CJEE CC#CCCCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 1435551402 PUBRGZNCRWYJAN-AWEZNQCLSA-N 296.769 4.667 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(Cl)c(C)c1)c1ccccc1 1437644913 ZYXROTQPITUORP-MRXNPFEDSA-N 286.758 4.733 30 10 CJEE C=CCCC[C@@H](C(=O)NCC(C)(C)C1CC1)c1ccccc1 1439706682 YABLVGKLFSXZAI-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CCCC(C)(C)NC(=O)CCCc1cc(C)sc1C 1461771085 WHPWERAXNUVXPZ-UHFFFAOYSA-N 293.476 4.549 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H]1CC(C)(C)C[C@H]1C 1462333526 OMQFCHDAKWAFLJ-NXHRZFHOSA-N 271.448 4.588 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cccc([C@@H](C)CC)c1 1467053985 COAZHURXDUJYPW-AWEZNQCLSA-N 288.435 4.924 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H](CC)C(C)C)c1ccccc1 1519375116 OMAXHJIFIHZCIF-WMZOPIPTSA-N 287.447 4.882 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c2occc12 1519989948 SIDWONOBOLKLBY-NSHDSACASA-N 291.778 4.561 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc(C(C)(C)C)cc1C 1521416532 IYDVDNURDAZDGY-CQSZACIVSA-N 274.404 4.800 30 10 CJEE C#CCCCCC(=O)Oc1ccc(CC)cc1C(C)(C)C 1523548636 WQWKHBWCIJEOPO-UHFFFAOYSA-N 286.415 4.646 30 10 CJEE C=CCC1(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CCCC1 1525699280 NFAZVNPAHHQNLI-QAQDUYKDSA-N 291.479 4.702 30 10 CJEE C=C(C)CN(CC)C(=O)Cc1ccc(C2CCCCC2)cc1 1532353524 PMUGQEUKCXHKPV-UHFFFAOYSA-N 299.458 4.701 30 10 CJEE C=C[C@@H](CC)CC(=O)N1c2ccccc2CC[C@H]1C(C)C 1536487766 PAHWZGXFDLIMCU-RDJZCZTQSA-N 285.431 4.593 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2CC)c1 1537414331 KJTQBZIQXSUELS-RHSMWYFYSA-N 271.404 4.875 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1538819197 FDKAXUVPWSSJOB-FXAWDEMLSA-N 299.458 4.631 30 10 CJEE C#C[C@@H](N[C@@H](C)Cc1ccc(-c2ccccc2)cc1)C(C)C 1560816713 BPZUOTSXKRZLAK-LAUBAEHRSA-N 291.438 4.532 30 10 CJEE C=C1CCC(CNC(=O)C[C@H](c2ccccc2)C(C)C)CC1 1597398231 VEQAVWGWCZYLQQ-IBGZPJMESA-N 299.458 4.679 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1C 1617466602 SGIOALCDFYVUAI-CJNGLKHVSA-N 291.822 4.513 30 10 CJEE C=CCC1(NC(=O)N[C@H](CCC)CCCC)CCCC1 1632655277 ZJNZNRBLWLFCTC-OAHLLOKOSA-N 280.456 4.533 30 10 CJEE C=CCCCCCN1CCC(CCC(C)C)CC1 1644797288 PLTJJHBAZCYHIT-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=CCCCCCN1CCC[C@@H]1Cc1ccc(F)cc1 1652325358 QGLIALMETWXLTH-GOSISDBHSA-N 275.411 4.579 30 10 CJEE C=CCCCCCN(C)[C@@H](C)Cc1ccc(C)cc1 1653416410 RTUDTDMVPWGNFS-KRWDZBQOSA-N 259.437 4.604 30 10 CJEE C=CCN(C/C=C/c1ccc(Cl)cc1)C(C)(C)C 1655094497 XNMGJLNWVPCCHX-VOTSOKGWSA-N 263.812 4.640 30 10 CJEE C=CCC1(NCC/C=C\c2ccccc2)CCCCC1 1655333459 NWZIMLGFOBESAJ-QPEQYQDCSA-N 269.432 4.959 30 10 CJEE C=CCCC(C)(C)NCc1cccc(CC2CCC2)c1 1656693796 JASCGCMLQJHONM-UHFFFAOYSA-N 271.448 4.864 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1 1658756711 IACQCHSMWBGOIA-GUXCAODWSA-N 283.459 4.961 30 10 CJEE C=CCC[C@@H](CC)N1CCc2c(Br)cccc21 1665042073 UFTPVHMDVGCIIA-GFCCVEGCSA-N 294.236 4.556 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](CC)c1ccccc1OC 1665502632 VBCRZSUANNKGQH-RDJZCZTQSA-N 275.436 4.871 30 10 CJEE CCC[C@@H](CS)CN1CCC[C@@H]1C1CCCCCC1 1876810167 FNUCDCYFFOGYRZ-NVXWUHKLSA-N 283.525 4.767 30 10 CJEE CCCC[C@@H](CC)N=C1NC2(CCCCCC2)CS1 1879351561 WIZDNVQTWFZPDU-CQSZACIVSA-N 282.497 4.741 30 10 CJEE CCCC[C@H](CC)N=C1N[C@]2(CCCC2(C)C)CS1 1879354491 YTEJPMOZYKITTK-XJKSGUPXSA-N 282.497 4.597 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CCC[C@H](C)CC1 1885238396 UKDROPNZBHBBFL-KSZLIROESA-N 263.469 4.765 30 10 CJEE C=C1CCC(C[C@]2(O)C[C@H]3CCCC[C@]3(C)C2)CC1 1886401399 FLZOBKQWRATAIR-KURKYZTESA-N 262.437 4.844 30 10 CJEE N#Cc1cccc(CNc2ccc(Cl)c(Cl)c2F)c1 1893146782 QVYGMGQPSQDEPR-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(Cl)C(=O)CCc1ccc(Cl)c(Cl)c1C 1900966773 DBTOSHHDBDTMOT-UHFFFAOYSA-N 277.578 4.556 30 10 CJEE N#Cc1ccc(Cl)cc1NCCC=Cc1ccccc1 1912005391 UYACBKBEFWMGKJ-UHFFFAOYSA-N 282.774 4.727 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(F)c(Cl)c2F)c1 1912898857 RVPRQILHKXJBBX-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE C=CC[C@H](C)O[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NCCC 1913339206 YXXQSQRNTITBIY-YLFCFFPRSA-N 281.484 4.551 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCC2(CCCC2)C1 1916415103 KXLAYIJWRIYPMV-CQSZACIVSA-N 274.795 4.736 30 10 CJEE C=CCN(CC(=C)Br)C[C@H](CC)CCCC 1916876242 ZPCGSSKVQYIRPS-CQSZACIVSA-N 288.273 4.599 30 10 CJEE C=C1CCC(CC(=O)c2cc(F)cc(Cl)c2)CC1 1918514202 YYZGSAWGYVMUGB-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE CC(C)=CC(=O)C1(O)CCCCCCCCCCC1 1919046361 ZNHLVUUUYCVJTM-UHFFFAOYSA-N 266.425 4.558 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCCC)C(C)(C)C 1920912449 QINRRHNHXHSOEI-DOTOQJQBSA-N 271.489 4.512 30 10 CJEE C=C(COCc1ccccc1)C(=O)c1ccc(C2CC2)cc1 1922051399 IJVYKPCGVGURLL-UHFFFAOYSA-N 292.378 4.520 30 10 CJEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](C)CCC 1922112172 LEOIXOICEYZVSS-LPHOPBHVSA-N 289.463 4.564 30 10 CJEE C=C([C@]1(O)CCC[C@H](C(C)(C)C)CC1)[Si](C)(C)C 1923038565 ORAKAKGPVZPIAC-HOCLYGCPSA-N 268.517 4.778 30 10 CJEE C[C@@H]1CC[C@H](C2CCC2)CN1CCCCC(C)(C)C#N 1924162299 RNJCJQGBJQOYFW-WBVHZDCISA-N 276.468 4.607 30 10 CJEE CCCCCCCCC(=O)Nc1cc(O)ccc1Cl 1925537952 HWHTVJAOGWYBDO-UHFFFAOYSA-N 283.799 4.735 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CCC2)C1 1931999767 DREXFDPKNRZNLV-KPFFTGBYSA-N 296.458 4.760 30 10 CJEE CCCC[C@@](C#N)(CC)CC1(Br)CCC1 1960906580 JROZJOGVTFHTQK-LBPRGKRZSA-N 272.230 4.804 30 10 CJEE C=C(C)CC[C@H](C)NCc1ccc(C(F)(F)F)cc1 1964042581 NGYDOJSVZJWANL-LBPRGKRZSA-N 271.326 4.540 30 10 CJEE C=CCCCC[C@@H](N)c1ccc(C)cc1Br 1984516120 MIYMEXADJNDGAL-CQSZACIVSA-N 282.225 4.504 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccccc1Cl 1996465074 XVAUSMWZHUOSCW-WFASDCNBSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(C)c(Br)c1 1998847543 AMTRXQWHSHARJX-TZMCWYRMSA-N 296.252 4.763 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCC#CBr)CC1 2004048652 HMAAUVWLEVARML-UHFFFAOYSA-N 296.252 4.869 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1c(C)csc1C 2005343198 OHSFTYLWTDNYMG-SMDDNHRTSA-N 251.439 4.618 30 10 CJEE C=CCCCCCNCc1cc(C(F)F)cs1 2008248399 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C=CCC(CC=C)OC[C@@H](NCC)c1ccc(Cl)s1 2335105342 DHQJVLJBILXSPI-CYBMUJFWSA-N 299.867 4.590 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)NC)c(C)c1 2335244652 HVCPYHCESKXFGS-CQSZACIVSA-N 275.461 4.888 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(C)ccc1F 2338733668 UWMVWUSZEZLLRV-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE CCCCCCCCC[C@H](C#C[C@H]1CC1(C)C)NC 2339570069 UEZPWLQDVMAGGD-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=CC1(CNCC[C@H]2CC[C@@H]2C2CC2)CCCCC1 2342539395 CIJPJFGPQCVZKA-IAGOWNOFSA-N 261.453 4.539 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(C)cccc1C 2344343473 DMJJLSIENJHJOR-ROUUACIJSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1CCCC[C@@H]1C(F)(F)F 2344476695 NCFXALIYUPHMQL-FRRDWIJNSA-N 278.358 4.708 30 10 CJEE CCCCN(C[C@@H](CS)CC(C)C)c1ccccc1 2353850802 XJOKLNFEMVFOLA-INIZCTEOSA-N 279.493 4.885 30 10 CJEE CCCCCCC[C@@](C)(C(=O)O)N(C)[C@@H](C)C(C)(C)C 2353869789 VWJDEMUSMRBGSH-YOEHRIQHSA-N 285.472 4.557 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1OC[C@@H]2CCC[C@H]12 2358457276 MLFUGFQHLVBONX-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1C(C)C 2360103747 OCYVMRBCMBDQEU-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)cc1C[C@H](N)CC 2360208446 OXGCGPIFLFNMMA-OAHLLOKOSA-N 293.451 4.718 30 10 CJEE C=CCC(CC=C)OC(=O)C=Cc1ccc(C)c(Cl)c1 2360213732 YJSFJLRNVCPNEP-UHFFFAOYSA-N 290.790 4.726 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC2CC2)cc1F 2360368588 OWPINUYQJIPKOB-UHFFFAOYSA-N 291.435 4.691 30 10 CJEE N#C[C@@H](NCCC1=CCCCC1)c1c(F)cccc1Cl 20175244 GLXYZDQVGYCTOW-OAHLLOKOSA-N 292.785 4.524 30 10 CJEE CCCc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 20566438 LYKPJGJJEVKXLI-CQSZACIVSA-N 264.372 4.684 30 10 CJEE CCCCC(CCCC)=NNc1ccc([N+](=O)[O-])cc1 32184718 UVZBGMPDHARZQE-UHFFFAOYSA-N 277.368 4.743 30 10 CJEE CC[C@H]1CCCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@@H]2C#N)C1 36169566 HFDCRZPFUAYLKU-BSDSXHPESA-N 290.495 4.853 30 10 CJEE N#CCc1ccc(C(F)(F)F)cc1-c1ccccc1F 47205201 VDZVHEJYDSPBGE-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CC(C)(C)c1ccc(-c2cc(C#N)ccc2F)cc1 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QLFMAUBCHBVTDJ-KRWDZBQOSA-N 288.481 4.942 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccncc2)C1 94614242 UAVNZKPLGQBOHV-SQWLQELKSA-N 288.460 4.918 30 10 CJEE ClC(/C=N/c1ccccc1)=C/Nc1ccccc1 100387952 RUZFGJKXFPPZJN-GTSFMQCKSA-N 256.736 4.581 30 10 CJEE CCOc1ccc(C(C)(C)C)cc1[C@@H](C)CCS 107600606 HOYVMOCOIBRHFG-LBPRGKRZSA-N 266.450 4.806 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)cc1 109945510 IYBITHPYXPWADD-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)Nc1cccc(F)c1 110028729 JEKIQPAICFFADI-KBRIMQKVSA-N 274.383 4.592 30 10 CJEE CCCCCCCCC[C@H](CO)Cc1ccccc1 116630640 AXZLWFATGACVJK-SFHVURJKSA-N 262.437 4.978 30 10 CJEE CCCCCCCn1cccc1[C@H](C)NCCC 118238688 YEIROCRPRDXEIX-HNNXBMFYSA-N 250.430 4.519 30 10 CJEE CCCCCCCCCn1ccc([C@@H](O)C(C)C)c1 118245901 UBVCEYHLSNDJQE-KRWDZBQOSA-N 265.441 4.928 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCCCO1 122719166 GUSXTFKRQBLOAS-ZWKOTPCHSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(F)cc1 125286618 NQDRUQVJZOQVIK-QGZVFWFLSA-N 280.431 4.861 30 10 CJEE C=C(C)CC[C@H](NCC)C1(CC(C)C)CCCC1 125652476 ISGZJPYLSDHQHS-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](NN)C1CCC(C(C)C)CC1 126767335 IRECJYXOPWUROB-JCYILVPMSA-N 268.489 4.641 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](OCC)C(C)C 128333754 ZHGSKHMTJYMESX-IAGOWNOFSA-N 271.489 4.906 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(C)c1)c1cccs1 132644296 RRVMLVZPUQYDKQ-HNNXBMFYSA-N 270.401 4.882 30 10 CJEE CCCCCCCCCCC(=O)c1c(C)nn(C)c1C 135634885 MUAHLLSBZBNTNB-UHFFFAOYSA-N 278.440 4.750 30 10 CJEE CCCCCCCOC[C@H](NCCC)C1CCCCC1 157542504 KXXGYGORFCVBKH-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccccc2C#N)c2ccccc21 163676576 GZKHUNMVCRODSX-FZKQIMNGSA-N 262.356 4.609 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2cccc(Cl)c2F)CC1 167058930 CUTZFJZLUGAJRI-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE C=CCCCC(=O)c1ccc(Br)cc1Cl 168389265 WJLLMLZXONDNGJ-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCN([C@@H](C)CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 217943429 RDXYZVDGFQDQCU-MWDXBVQZSA-N 264.457 4.605 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](CC)CC2)C1 226983206 NHYNYMMPMUDAEH-ZJPYXAASSA-N 276.468 4.607 30 10 CJEE CC(C)Cc1ccc([C@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)cc1 227415345 FCWQWKHWONWKQK-MNEFBYGVSA-N 285.431 4.639 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2nc3ccccc3s2)C1 228475314 HIGSSZNPYDSPQL-LRDDRELGSA-N 270.401 4.559 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(N)cc1 232920288 UJHLLCKYMALECD-KRWDZBQOSA-N 263.425 4.833 30 10 CJEE CCCCCCCC[C@@H](O)c1sc(C)nc1C 232936439 ITEMCBAIMKYWAQ-CYBMUJFWSA-N 255.427 4.544 30 10 CJEE CCCCCCCCC[C@H]1CNC[C@@](C)(C(C)C)O1 232944216 HMSWASIIQPKUAW-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(C)cc1Cl 232963264 MZOFUFBQLYADJX-OAHLLOKOSA-N 268.828 4.912 30 10 CJEE C[C@H](CNc1ccc(C#N)c2ccccc12)C(C)(C)C 235463978 FRWTUIJUZKRPOY-CYBMUJFWSA-N 266.388 4.806 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(C)c(Br)c1 235758220 XHMRXWPVXQOYRV-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE CCCCCCCCCCN1CCCN[C@@H]([C@H](C)CC)C1 250819683 KRJHMONHMRZJQV-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@H]1N 250824927 NDDYQUCXNKHZSV-GVDBMIGSSA-N 269.473 4.660 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1ccc(Cl)c(Cl)c1 251056157 HBKXLMZCNXAIKP-KKFJDGPESA-N 259.176 4.664 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CO[C@H](C)C1 252900559 JMQXMZUQOPEWMB-KURKYZTESA-N 283.500 4.920 30 10 CJEE C[C@@](C#N)(Cc1cccs1)c1ccc2ccccc2c1 259397854 BYYFVZJVGVHSTI-SFHVURJKSA-N 277.392 4.925 30 10 CJEE CC(C)c1nc2c([C@@H](CC#N)C3CC3)cccc2s1 260521657 LYCMGKIBAMKRES-LBPRGKRZSA-N 270.401 4.827 30 10 CJEE CCCCCCCCC[C@H](O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300636582 SDPGZUCIEYADLS-WOYTXXSLSA-N 264.453 4.780 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(Cl)ccc21 310901873 WJBXDBNDOIZBEN-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE C[C@@H]1CCC[C@H]([C@@]2(C#N)CCc3ccccc3C2)C1 311555965 LZCNOHFZIKLKFA-JLSDUUJJSA-N 253.389 4.512 30 10 CJEE CC(C)(C)C1CCC(C=O)([C@H]2C[C@H]3CC[C@H]2C3)CC1 317578082 MSIUJYIUULHPCL-DSXPZYJUSA-N 262.437 4.844 30 10 CJEE C=CCC(C)(C)CO[C@H](C)C(=O)c1cccc(Cl)c1 378657191 CEGZGNUFTKJNGW-GFCCVEGCSA-N 280.795 4.530 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cccc2ccccc12 379909501 OPTZFTYBJCZXGZ-SFHVURJKSA-N 265.400 4.540 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)CCCCCC1 381061383 RWFJMTUSVDKOIE-HRCADAONSA-N 261.409 4.588 30 10 CJEE C=CC(C)(C)CN[C@@H](CCCC)c1ccc(F)cc1 384982279 QZBUNPGLOWOWHP-INIZCTEOSA-N 263.400 4.859 30 10 CJEE CCCCCCCCC[C@H](N)c1ccnn1C(C)C 388649160 LYQOMSSUYRHZQN-HNNXBMFYSA-N 265.445 4.605 30 10 CJEE CCC(CC)(CC)[C@H](C#N)Nc1cccc(Cl)c1 395119883 JQZMPIITAIKJQM-AWEZNQCLSA-N 264.800 4.860 30 10 CJEE C[C@H]1CCC[C@H](SCc2ccc(CC#N)cc2)C1 399129458 MKADCCLOLZQQFQ-BBRMVZONSA-N 259.418 4.565 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@](C)(O)c1c(Cl)cccc1Cl 400827106 VCMRDPNCRFKFGF-VCTAVGKDSA-N 298.213 4.531 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](C)CC(F)(F)F 402808306 LHWMXGROTHVYRG-RYUDHWBXSA-N 253.352 4.653 30 10 CJEE CC1(C)CCC(C=O)(CCc2c(F)cccc2F)CC1 402850062 AZBBNOKBYQYZJS-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc2oc(C)c(C)c2c1 477922135 ZFUSGTFAWJLYGY-LLVKDONJSA-N 271.360 4.590 30 10 CJEE C=C(C)CCS[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 507804542 PIQQYJDVAJOKKI-HNNXBMFYSA-N 291.460 4.638 30 10 CJEE C=C(C)CCS[C@H](C)c1ncc(C(C)(C)C)o1 507851048 MWCHGXBMNPKJIL-LLVKDONJSA-N 253.411 4.733 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1Cl 512661041 PRBATLFQIWZAEO-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=CCCCCC[C@]1(CNCC(C)C)C[C@H](C)O[C@@H]1C 686484485 FOCLUHJBLONZCO-RCCFBDPRSA-N 281.484 4.552 30 10 CJEE C=CCC(C)(C)CNCC1(c2ccccc2)CCCC1 686670220 ZLUYHVZLUSWDQU-UHFFFAOYSA-N 271.448 4.690 30 10 CJEE CCCCCCCCCCC(=O)CNCC(C)(C)C 692284144 HZTBJYZHHSZJNX-UHFFFAOYSA-N 269.473 4.722 30 10 CJEE CCCCCCCCCNC[C@]12CCCC[C@H]1C2 693621122 LDPGMNJWBFYIJZ-DLBZAZTESA-N 251.458 4.907 30 10 CJEE CCCCCCCOCC[C@@H](NCC)c1ccccc1 694991184 KVZSBBIUQSNANV-GOSISDBHSA-N 277.452 4.714 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(CC)cc3)C[C@@H](C1)C2 697304234 JABPFKHOLFGHRK-BYICEURKSA-N 255.405 4.796 30 10 CJEE CC1(C)CC(C/N=C2/NC(C)(C)CCS2)CC(C)(C)C1 699570954 ZVFWMEJYPYDZQO-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]2C[C@H]2C1 704610719 IPQPHEQLQUIZEX-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CCCN(C)C1 705096956 OBYDRSVNSWGQOO-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H](CCC)CC(C)C 710607122 JPMDKVDAHHJIET-LSDHHAIUSA-N 259.865 4.960 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@@H](N(C)C)C1 715209791 ZWKUCPVLVFVMNA-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1CCCCCCC1 715772682 WKYPKWFWRCKGER-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCC[C@@H]1CCS/C(=N/[C@H](C)c2cc(C)sc2C)N1 716970030 OAGDKPUCDICXAK-DGCLKSJQSA-N 296.505 4.677 30 10 CJEE CCCCCCCC[C@@H](Cc1scnc1Cl)NC 722019717 MPHMAIMJLAQQER-LBPRGKRZSA-N 288.888 4.678 30 10 CJEE C=C1CCC(CSc2ccc(N)cc2Cl)CC1 724556216 LJAQRAHAJHIETA-UHFFFAOYSA-N 267.825 4.761 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(OCCC)c2)CC1 724557245 CIDMPQIQVMIMBK-SFHVURJKSA-N 273.420 4.612 30 10 CJEE 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CJEE C=C(CC)C[C@H](NCCC)c1cccc(Cl)c1OC 2267955619 DRZHJZXUGNMYOE-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(OC)ccc1Cl 2268041959 PIGYCWZNHGAMMA-MRXNPFEDSA-N 281.827 4.875 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](N)CC=CC#CC(C)(C)C 2268746894 RYSSWKBLDCDGTE-IXDOHACOSA-N 261.453 4.526 30 10 CJEE CC1=CC[C@](C)(C(=O)CC=CC#CC(C)(C)C)CC1 2268760705 APCYVKQJNGLPQC-SFHVURJKSA-N 258.405 4.688 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC(C)(C)CC[C@H]1N 2268765377 IHGAXPQMEAYFMF-HZPDHXFCSA-N 261.453 4.526 30 10 CJEE C=CCCCCCCCSCC1(C(=O)O)CCCC1 2271497947 MNQPYGAVHNLWRD-UHFFFAOYSA-N 284.465 4.891 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CCCCC1(F)F 2271780892 KGSIJJCTBPSTMX-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@]1(C)C[C@H]1C(F)(F)F 2271784424 FUQXBTYTLMNAIB-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE CCCCC[C@@H](CC)N(C)C[C@@](C=O)(CC)CCC 2272065751 FAXDJJLWRARSDW-IAGOWNOFSA-N 269.473 4.673 30 10 CJEE N#Cc1c(Cl)cccc1NC[C@]12CCCC[C@H]1CC2 2273357549 NYGXHRIRTGOPLA-BLLLJJGKSA-N 274.795 4.594 30 10 CJEE C=CCC[C@H](C)N(C)Cc1cccc(C(C)(C)C)c1 2274435900 LVNBMGKLSXTGFH-HNNXBMFYSA-N 259.437 4.771 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1cc(C)c(C)s1 2276147963 NTFIBDAKBCGMHD-OAHLLOKOSA-N 281.465 4.518 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](CC)COC 2278247840 PIBKNAACHLUJAU-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCN[C@H]1C(C)C 2279400219 FZYLEXGEZUQUTN-AEFFLSMTSA-N 281.484 4.720 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCCC12CC2)NN 2279614971 SBFDMWKYEABAAX-SJORKVTESA-N 280.500 4.929 30 10 CJEE C=CCC1(Nc2ccc3cccc(C)c3n2)CCCC1 2279621360 ODVMPZJORLWREI-UHFFFAOYSA-N 266.388 4.844 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C(C)(C)CC(F)F 2284175961 LYOKNTXSPBYRBN-CQSZACIVSA-N 285.422 4.642 30 10 CJEE C[C@@H]([C@@H]1CCC[C@@H](C)C1)N(C)CC=CC#CC(C)(C)C 2284179515 QGWQYRFIPYBESX-FGTMMUONSA-N 275.480 4.739 30 10 CJEE CCCCCCC[C@H](NCC)c1cn(C(F)F)c(C)n1 2284867347 KKRNRPJBXFAPCR-ZDUSSCGKSA-N 287.398 4.598 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccn(CCCC)n1 2285072840 RLDUTERIAYBAIQ-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE C=CCCCS[C@@H](C)[C@H](NCCC)c1ccc(F)cc1 2287065791 QUXOHZBPHXMIKY-YOEHRIQHSA-N 295.467 4.954 30 10 CJEE C=CCCSc1nc(C(C)(C)C)nc(NCCC)c1C 2287083975 NAUXQULOSKCMFT-UHFFFAOYSA-N 293.480 4.573 30 10 CJEE C=C(C)CCCCOc1cc(Cl)ccc1CNCCC 2287469534 HQLASROEZNRXOM-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1ccc(OCC(C)C)cc1 2288896871 CBQBPZIJAZZXEU-HZPDHXFCSA-N 275.436 4.584 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCCC(C)(C)C2)c(F)c1F 2289651779 VZPJSJNDTIHKKU-KRWDZBQOSA-N 280.358 4.601 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(C2CC2)CCCC1 2289716403 XFUJBGQSMVWPFL-SFHVURJKSA-N 273.464 4.519 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@]1(C)CC[C@@]1(C)N 2289858999 HBWIUTNPBDBTDV-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE CCNC[C@@]1(CC#CC2CCCC2)CCCCC12CC2 2289901300 NVBBHLLOTWAENT-IBGZPJMESA-N 273.464 4.520 30 10 CJEE CCCNC[C@]1(CC#CC2CCCC2)CCCC12CC2 2289901857 UWUCOBLZSNHBJG-IBGZPJMESA-N 273.464 4.520 30 10 CJEE C=C(C)CCCC[C@H](CCCCCC)OCCC(=O)O 2291755057 PRDVFQWAOIXHBO-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)[C@@H]1CC1(C)C 2292647207 NSJYDOMCIPVCLX-DLBZAZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)[C@H]1CC1(C)C 2293023033 QNYNDGUELRDNCR-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@](OCCCN)(C(C)C)C1CC1 2293413110 IVGJVZPKEJZBPG-SFHVURJKSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCCCC[C@@H]1C 2293600195 PLOUTOUNJKYNFJ-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCC[C@H]1C(C)C 2293885797 XMKNCTYTJDOFMP-ROUUACIJSA-N 281.484 4.683 30 10 CJEE Cc1ccc(C(=O)C=Cc2c(F)cccc2Cl)c(C)c1 2294299913 AGHRPJXIIKCIAI-UHFFFAOYSA-N 288.749 4.992 30 10 CJEE CC1(C)CCC(C)(C)[C@](N)(C#Cc2ccccc2Cl)C1 2295216423 IHLCZIZHTPEICL-SFHVURJKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCC[C@H](CN)C1 2295537770 CHAKCLHKGOZDKP-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@](C)(N)c1c(Cl)cnn1CC 2295592123 NHMPGOFEXAMESA-INIZCTEOSA-N 299.890 4.871 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CC1CCCC1 2295679946 UPCSHPRJLGVVEZ-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc2scnc2c1 2296087213 ZPWMJFFDPFOGES-CQSZACIVSA-N 291.464 4.551 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc2scnc2c1 2296152393 DFRQKHPOUOGKHZ-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCN[C@@H](C#CC1CC1)c1cc(Cl)c(Cl)s1 2300350300 AIBOKWMHAXRNMA-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2307523632 WWRLOAGUHBTNAH-YGRLFVJLSA-N 270.203 4.529 30 10 CJEE O=C1C(=Cc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 2314519599 UXLMIOCJQJYNOZ-UHFFFAOYSA-N 291.133 4.610 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(OC)c(Cl)s1 2317944891 ONCWYMZRJBTBQU-GXFFZTMASA-N 287.856 4.663 30 10 CJEE C=CCCCCCCCCn1nc(C)c(F)c1C 2320027597 NOCOXIQALPCXDN-UHFFFAOYSA-N 252.377 4.556 30 10 CJEE C=CCC[C@H](C)[C@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329817484 MTOASLMAOBHXQF-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE C=CCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC 2331086241 WFJBEXPNNXPXTP-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C[C@@](C#N)(C[C@@H]1CCC[C@H]1C(F)F)c1ccccc1 2334489109 QYELDWVADUEVGZ-BJJXKVORSA-N 263.331 4.539 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)c1ccc(C)s1 2335096465 NEKKYWWSUPSJRN-OAHLLOKOSA-N 295.517 4.961 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CCCC[C@@]2(C)C1 2337106930 NJUFPAFZHCKJHO-ZKXLYKBJSA-N 261.453 4.680 30 10 CJEE N#Cc1cccc(Nc2cc(C3CC3)ccc2Cl)c1 2338116798 CAJUELVWLMMBMC-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE C#CCCN(Cc1ccc(Cl)c(Cl)c1C)C1CCC1 2338672832 KEGVCZLNTZLQDC-UHFFFAOYSA-N 296.241 4.680 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCC(C)(C)C1)NN 2341706262 HRLUXHMRRPXZPK-CVEARBPZSA-N 268.489 4.785 30 10 CJEE C=C1CC([C@H](C[C@@H]2CC[C@H]2C(C)(C)C)NCCC)C1 2343286591 JIEUQUOQNBSHGL-UAGQMJEPSA-N 263.469 4.783 30 10 CJEE C[C@@H]1CC(C#N)(C[C@@H]2CC[C@@H]2C(C)(C)C)C[C@@H](C)O1 2343371192 JPLXVXCWXHZHOI-KBXIAJHMSA-N 263.425 4.546 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C#N)CCCOC2(C)C)CC1 2343391179 YSYWQOZDPOIZCY-NVXWUHKLSA-N 261.409 4.612 30 10 CJEE O=C[C@]1(CCC2(C(F)(F)F)CC2)CCCC(F)(F)C1 2344914926 YNURKWWLLOVNLT-JTQLQIEISA-N 284.268 4.504 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H](C)CC1CCC1 2360315337 CGQZEBGYNMLXHW-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(F)c(Cl)c2)c1 20001498 WJYBNFASMUVQLZ-NSHDSACASA-N 273.738 4.634 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(F)c(F)c1 37156558 NLRIOHMXQSCPMS-QMTHXVAHSA-N 267.344 4.529 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 37306455 ZRCFOTDEPFCEMP-XHDPSFHLSA-N 297.320 4.925 30 10 CJEE N#Cc1ccc(Oc2ccccc2F)cc1C(F)(F)F 37306466 WVDUSFGPSYYUHP-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1 41381959 HRSRQEOQIUAJNI-UHFFFAOYSA-N 265.356 4.553 30 10 CJEE COc1ccc(C#N)cc1-c1ccc(C(C)(C)C)cc1 49857872 LLSVHMCMNBEQFA-UHFFFAOYSA-N 265.356 4.531 30 10 CJEE N#C[C@H](CCCOc1ccccc1)c1ccccc1Cl 57685286 BNXUFRMYLJZMPH-AWEZNQCLSA-N 285.774 4.806 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)Cc2cccc(Cl)c2)c1 57736443 GJPGAIOCXWEORN-HNNXBMFYSA-N 299.801 4.761 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)Cc1c(C)cc(C)cc1C 57760819 KNLMWWWKYNURSE-QGZVFWFLSA-N 293.410 4.779 30 10 CJEE Cc1cc(/N=C/c2c(C)n(C)c3ccccc23)ccc1F 59250472 JEWXJOOSTZLKHI-RGVLZGJSSA-N 280.346 4.685 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(=O)O)ccc1C 59462089 PXWAATWQQUUVIX-CQSZACIVSA-N 277.408 4.854 30 10 CJEE COc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)cc1 59518386 KYZPPCXECDTJMV-RQZCQDPDSA-N 280.154 4.753 30 10 CJEE CCCCCCCOCC(=O)c1ccc(OC)c(Cl)c1 59526044 CKNRSCZBLHEWJM-UHFFFAOYSA-N 298.810 4.518 30 10 CJEE C=CCCC[C@H](Cc1cc(C)cc(C)c1)NCCC 71277062 TYBHHNWKMDGTQL-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CCc1cc(-c2cc(CC#N)c(CC)s2)ccc1OC 77097429 HIOLDHPDYVZUPX-UHFFFAOYSA-N 285.412 4.615 30 10 CJEE C[C@H]1CCC[C@@H](SC[C@@H](C#N)c2ccccc2)C1 80800928 VVYKAHFXPIFFJG-NUEKZKHPSA-N 259.418 4.606 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(Nc2cccc(OC)c2)CC1 86949189 NKAZWLGHLRRWRT-QAPCUYQASA-N 286.419 4.750 30 10 CJEE SCCCCCCOc1ccc(Cl)c(Cl)c1 87081772 DZGBEHBAUNZOGE-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2ccc(C(C)(C)C)cc2)C1 87973466 JHKHGPBTCDAXIK-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](O)(C2(C#N)CCCCC2)CC1 91903535 SVSKEFKNLGUAHR-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE C=C(C)C[C@H](NCC)C(CC)(CC)c1ccccc1 92129660 MPDXLXXPIDRXSF-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CC[C@H](C)Oc1cccc(Nc2cccc(F)c2C#N)c1 93396664 BOKJCWVADMKIPT-LBPRGKRZSA-N 284.334 4.618 30 10 CJEE CC[C@H](CS)COc1ccccc1[C@H](C)CC 94583215 BXUNQXCKEGKCJT-OLZOCXBDSA-N 252.423 4.535 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2cccc(C)c2C)c1 103030896 QGEYVBYKWFSVTA-KHPPLWFESA-N 279.383 4.729 30 10 CJEE C/C(=C/C(=O)c1ccccc1)Nc1cccc(C)c1C 104726618 DIZUXSHETZKVKR-OWBHPGMISA-N 265.356 4.502 30 10 CJEE CCCCCCCCCCCCN(CC)[C@@H]1CCNC1 109688115 WXNLNWRRCDONLN-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCOCCNc1ccccc1F 110239558 XSSIIAXASCHIEO-UHFFFAOYSA-N 267.388 4.615 30 10 CJEE CCCOc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1 110258150 WJUXHZLKWXAWTK-UHFFFAOYSA-N 286.762 4.744 30 10 CJEE Cc1cc(C)c(C)c(Oc2ccc(Cl)cc2C#N)c1 110261616 DCYHCBCCHRJKOQ-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1[C@@H](C)CC 115235109 MNBQYOMIMWWWJE-GBESFXJTSA-N 296.543 4.691 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccc(F)cc1 115858056 AJXZTBZTDALAPV-MRXNPFEDSA-N 275.367 4.753 30 10 CJEE CCCCCCCCCCS[C@@H](C)CC(=O)O 116777529 QRVIPTFCTNBJPP-ZDUSSCGKSA-N 260.443 4.724 30 10 CJEE CCCCCCCCC[C@H](NN)c1c(F)ccc(C)c1F 122202628 ZBHNGLQKYCGRNQ-HNNXBMFYSA-N 298.421 4.918 30 10 CJEE CCCCCCC[C@@H](NN)C1CCC(CCC)CC1 126758371 LWRLTECZUAQIGT-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE CCc1ccc(Oc2cccc(SC)c2C#N)cc1 136703889 IDJOUHFSVDULRO-UHFFFAOYSA-N 269.369 4.635 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H](C)OC)NCC 139440099 RYTBGKIDMFCVQP-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCNCC[C@@H](C)c1ccc(N)cc1 164425546 YTWMATVAAVQYGP-MRXNPFEDSA-N 276.468 4.713 30 10 CJEE CCCCCCCOc1c(C)cc(/C=C\C(=O)O)cc1C 207647771 HTILLWKOGWEILU-KTKRTIGZSA-N 290.403 4.750 30 10 CJEE C#C[C@H](CCC)NC(CCCCC)CCCCC 229931552 GXURUQCFJMXARP-MRXNPFEDSA-N 251.458 4.907 30 10 CJEE CCC(CC)(C(=O)C1=CCCCC1)c1ccccc1 232892371 QVMZWLVQQBKQAV-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE O=C(C1=CCCCCCC1)C(C(F)(F)F)C(F)(F)F 236132794 UZLMKDOHROUXNF-UHFFFAOYSA-N 288.231 4.577 30 10 CJEE C=CCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 236239853 AKWPTJPQTOWFIR-AWEZNQCLSA-N 287.234 4.634 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 249790328 JNJDICNXPIFPFQ-YQQAZPJKSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCN1C[C@H](CC(C)C)NC[C@H]1C 250824739 MWZVLMDAFQENSS-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCc1cc(C2(C#N)CCC(C(C)(C)C)CC2)ccn1 307785016 BHBJJLCWDZDGPI-UHFFFAOYSA-N 270.420 4.642 30 10 CJEE C=C(Br)COc1ccc(C)cc1C(C)(C)C 309328607 IPHXXRAEPLNOHJ-UHFFFAOYSA-N 283.209 4.580 30 10 CJEE C=CCC(C)(C)CNc1ccccc1C(F)(F)F 311178923 WKSPEDZRFSLLBL-UHFFFAOYSA-N 257.299 4.720 30 10 CJEE CCCCCCCCn1ccc(CNC(C)C)c1C 311421395 MTZVLFPTUDHJBR-UHFFFAOYSA-N 264.457 4.655 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC(F)(F)c2ccccc2)C1 316704482 BNEWPOVJPOQWCA-UKRRQHHQSA-N 266.331 4.564 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C=O)CCc3ccccc3C2)C1 316849401 IQGBFFWFAGAGSW-MNEFBYGVSA-N 270.416 4.577 30 10 CJEE O=CC1([C@@H]2C[C@@H]2c2ccccc2)CCCCCCC1 316974999 IWXILMUXWQATGI-IAGOWNOFSA-N 256.389 4.720 30 10 CJEE CC(C)CC[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394123724 YBYYAYWIIGYECO-CKDBGZEDSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(C)c(Br)c1 398095356 FCXDJDANLBXVJL-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)c1ccccc1F 410394058 TYFFRPLIWBIPFS-CQSZACIVSA-N 297.373 4.687 30 10 CJEE Cc1ccc(C(=O)/C=C\c2cccc3cnccc23)s1 588423211 OZLPJOWWAOUAET-SREVYHEPSA-N 279.364 4.501 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]12CCC[C@H]1OCC2 687404970 WVSJTRARBPEDBS-KSZLIROESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCC[C@H]1COCC1=O 687997667 QEBHEYKHJSUBJJ-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE CCCCC1CCC(CCCCC#N)(C(=O)O)CC1 691806654 LPKYDVLBIDCNSP-UHFFFAOYSA-N 265.397 4.522 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccc(C)s2)C1 693854937 IPLARZDJPZIUSH-BFYDXBDKSA-N 290.476 4.597 30 10 CJEE 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IBRYHAHMKONAPB-OAHLLOKOSA-N 285.353 4.642 30 10 CJEE C#Cc1ccc(N[C@H]2CCC(C)(C)C[C@H]2C)c(Cl)c1 1308960608 HUHFSVJBATWNDH-DOMZBBRYSA-N 275.823 4.948 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1c(Cl)ccc(C)c1C 1310691639 LBWPNVOTFPKKRK-UHFFFAOYSA-N 294.826 4.681 30 10 CJEE C=C1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 1353057803 NMNWPKSQJGLCJB-UHFFFAOYSA-N 284.186 4.678 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](C)c1cc2ccccc2o1 1354054476 HYJYLCVYRDAEOM-OAHLLOKOSA-N 299.414 4.741 30 10 CJEE CCCCCCCCCCNC(=O)c1ccsc1 1457689209 DMUBKPAYYMGJBE-UHFFFAOYSA-N 267.438 4.619 30 10 CJEE C=CC1(CC(=O)NC(CC)(C2CC2)C2CC2)CCCCC1 1461574159 DFVULYHNYFEBCG-UHFFFAOYSA-N 289.463 4.598 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1463067135 RFWQBKWFIDWDFB-QRQLOZEOSA-N 299.458 4.821 30 10 CJEE CC(C)CC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 1473271892 DEEJZGXFSDWHLK-INIZCTEOSA-N 290.838 4.612 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(Cl)cc1C(C)C 1529388832 SXYXFAABRYGXPC-UHFFFAOYSA-N 291.822 4.986 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)C(CC)CC 1539035790 NJUKWZDYVCSVEV-INIZCTEOSA-N 287.447 4.664 30 10 CJEE C=CCN(C(=O)c1ccc(-c2ccccc2)cc1)C(C)(C)C 1539411984 OFXFLDICXMKYBG-UHFFFAOYSA-N 293.410 4.780 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCCC2(CCCCCC2)C1 1539679070 IHSQXUAPTFGUIE-KRWDZBQOSA-N 277.452 4.552 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 1544221168 BXDOADLPTHWETR-INIZCTEOSA-N 291.435 4.880 30 10 CJEE C#CCN(Cc1ccccc1)[C@H](C)c1c(C)cc(C)cc1C 1559819664 BLVAANDZUBWBSU-LJQANCHMSA-N 291.438 4.808 30 10 CJEE C=CCCC(C)(C)CNCc1cc2ccccc2s1 1560554299 QGHMEQSSAGUWKY-UHFFFAOYSA-N 273.445 4.983 30 10 CJEE C=CCn1ncc2ccc(NC[C@@H]3CCC[C@@H](CC)C3)cc21 1561028316 FVOBZENUZJKXOY-HZPDHXFCSA-N 297.446 4.851 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccccc1F 1615223560 SSWMNIMRFOJYKO-HNNXBMFYSA-N 299.389 4.584 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CC)CCCCCC)C1 1641029640 HHMSFPQHTVAGRO-IRXDYDNUSA-N 279.468 4.798 30 10 CJEE C=CC1CCN(Cc2nc(-c3ccc(C)cc3)cs2)CC1 1644617545 DLKLUCRSANIBSN-UHFFFAOYSA-N 298.455 4.517 30 10 CJEE 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CCCCCCCn1cc(CN)c2cc(Cl)ccc21 107018882 XMDAMWXQGPULRI-UHFFFAOYSA-N 278.827 4.724 30 10 CJEE CCCCCCCCCOc1cccc(C[C@H](C)N)c1 109764223 LTPBVSFRMZFORC-INIZCTEOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCO[C@H](C)CN[C@H](C)CCC 110239611 LLBBBDQGUZLJOZ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC(=O)C1(N(C)C)CCC(C)CC1 118182090 QICZCGDZQXMBAU-UHFFFAOYSA-N 281.484 4.817 30 10 CJEE CCCCCCCCCCNC[C@@H](O)c1cccs1 124825970 QCELPGJRXGEZTQ-OAHLLOKOSA-N 283.481 4.512 30 10 CJEE CCCCCCCCCCCC[C@H](O)C(F)F 129405760 DDTYMAJNIBESAM-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE CC#CC[C@H](CCCCCCCCC)NCCC 130798530 ASAJQWYFDJXHSH-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC(C)(C)C[C@@H]2C)CC1 132207041 WLZSIHJMROYODM-HRSCSKTISA-N 277.452 4.674 30 10 CJEE C=C[C@H](CC(=O)N1CCC2(CCCCC2)C1)c1ccccc1 135959485 UZIDMCPIEKCBAQ-QGZVFWFLSA-N 297.442 4.529 30 10 CJEE C[C@H](N[C@@H](CC#N)c1ccccc1)C1CCCCCC1 150216504 QBAQWJBUOBWARJ-YJBOKZPZSA-N 270.420 4.590 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)ccc(C)c1F 158181828 WODXUAGMCHYRJS-CYBMUJFWSA-N 255.352 4.634 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@](C)(CC)OC 163435561 JJWLFULOAZYJAK-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](N)c1cnc2ccsc2c1 163546045 PCGHVWUUFOSYIL-ZDUSSCGKSA-N 262.422 4.657 30 10 CJEE C[C@@](C#N)(CCCC(F)(F)F)Nc1ccc(Cl)cc1 163591918 KDAKBSUHKKZDEV-LBPRGKRZSA-N 290.716 4.767 30 10 CJEE CSc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1C#N 167608502 YFQODBJLAXIQOC-HIFRSBDPSA-N 288.460 4.907 30 10 CJEE Cc1cc([C@@H](C)Nc2c(C)cccc2C#N)c(C)s1 221027298 SQOXOOVRBUAFFF-GFCCVEGCSA-N 270.401 4.718 30 10 CJEE C=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC 222606501 NNOFJFLSJHBURX-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228552034 HLZNOWWZXBCBOD-SJKOYZFVSA-N 289.806 4.537 30 10 CJEE C=CCOc1ccc(CNc2cc(F)cc(Cl)c2)cc1 229995188 LBCPRCWWSRIYOA-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCC[C@@H](C(C)C)C2)C1 231020672 LNBGLXXIAGKLJS-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](N)Cc1cc(Cl)ccc1F 231244060 BYAVUOMMSQYPQF-CQSZACIVSA-N 271.807 4.709 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@H](SC)C1 232935868 WODKKFXWYZVODT-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCOc1c(F)cccc1[C@H](C)NCC 232946016 MBFXONLZUGXKDV-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCOc1ccc2c(c1)[C@@H](NC)CCC2 232958099 GJRONGMZGQYQMW-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(F)ccc(C)c1F 234455979 JIUHRUBCXSOSHT-CQSZACIVSA-N 267.363 4.670 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(SC)cc1 235121626 QYKLXMKOAMGWTF-OAHLLOKOSA-N 250.407 4.578 30 10 CJEE Cc1ccc(Oc2ccccc2C(C)(C)C)c(C#N)c1 235876932 SKTMPFUODZCDLR-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@H]1C(C)C 250831544 RMOUADHDDKBGLX-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE C=CC[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 252900547 JMCYRDKBLLDJGR-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(Cl)cc2Cl)CC1 304393035 MWRHALIFNLENNZ-VIFPVBQESA-N 269.171 4.923 30 10 CJEE CC1(C)OB([C@H]2C[C@@H]2c2ccc3ccccc3c2)OC1(C)C 306668605 KPKFNIFXDSETAW-SJORKVTESA-N 294.203 4.790 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1c(F)cccc1Cl 308058243 SXDMAUIKKOZEMD-VXGBXAGGSA-N 295.785 4.728 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccccc2Cl)c1 308112578 ZUBNVSUQVZVLLI-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC1(CNC)Cc2ccccc2C1 317059537 LNCXXZZPLBRFAN-UHFFFAOYSA-N 273.464 4.742 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](N)CC1 378670297 JMMKLZLMKBUQFU-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C=C([C@@H](NCCC)C(C1CCC1)C1CCC1)C(F)(F)F 383609010 XKOPLFUMRUDTTA-OAHLLOKOSA-N 289.385 4.690 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(C(F)F)c1 386433252 NLBFBGRIYAZBLQ-JSGCOSHPSA-N 264.319 4.509 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2c(c1)COC2 388536246 MGVPPBOOLJPNNZ-CQSZACIVSA-N 261.409 4.878 30 10 CJEE Cc1ccc(N=C2N[C@H](CC(C)(C)C)CS2)cc1Cl 393529741 VLPPGAZVRCFOCQ-GFCCVEGCSA-N 296.867 4.777 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 393794344 HDOBDZNCVGSGSR-OWCLPIDISA-N 251.458 4.926 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](C#N)Nc2ccc(Cl)cc2)C1 394578066 TUCUCTBIAFGPIW-IOASZLSFSA-N 276.811 4.860 30 10 CJEE N#CCc1csc2ccc(Cl)c(C(F)F)c12 396197228 YTBXDUUAGBVMLE-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)Nc1nc(Cl)nc2sccc12 398139077 NLTYAMQSYJJLAN-VIFPVBQESA-N 281.812 4.501 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1ccc(C)cc1 401517560 ZWWHRSWUWDMCQJ-HYVNUMGLSA-N 256.393 4.516 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)NC 403314046 CBXSPPQVRROKOA-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=CCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NCC 403402572 BZFYFNUNRYQLIV-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC1(C#N)CCCC1 405098494 CAQVTXUJUNIOSU-OAGGEKHMSA-N 263.425 4.548 30 10 CJEE N#Cc1cc(-c2ccccc2C(F)(F)F)ccc1Cl 514260987 LWNVBPBAHQISRD-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE CCC(F)(F)C(C)(C)CC(=O)C1=CCCCCC1 691019532 AOIRMLNERWPGQP-UHFFFAOYSA-N 258.352 4.908 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]12CCC[C@@H]1C2 693139678 QTQAZLNEFKBTFK-IXDOHACOSA-N 266.473 4.539 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncc(Cl)cc1C 695178489 MOBOVZVPHXTCJI-GXTWGEPZSA-N 264.800 4.590 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCCNC 695737118 KONDCILSICKKHD-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1NCc1c(Cl)cccc1Cl 696977172 YTIUNQPHHWOAFC-ABAIWWIYSA-N 297.229 4.555 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(O)c(Cl)c3)C[C@@H](C1)C2 697310648 XRBQEXAXBITZDN-ONXXMXGDSA-N 277.795 4.592 30 10 CJEE CCC1CCC(C#N)(CCCOC2CCCC2)CC1 699957734 GJVKGUPXBKUNDX-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE C#C[C@H](N[C@H](C)c1c(Cl)cccc1Cl)C(C)(C)C 702237270 YRHMHFUXDCMHDL-MFKMUULPSA-N 284.230 4.692 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(CC(C)C)cc1)C(C)(C)C 702248831 ZWJOOIXWTJKEOF-QAPCUYQASA-N 271.448 4.584 30 10 CJEE CCCCCCCNc1nc(NCC)nc2sccc12 703782132 FRHLTMVVRQUAIQ-UHFFFAOYSA-N 292.452 4.505 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CC1(c2ccccc2)CC1 704066103 SHABQKBBEAEWIB-CRAIPNDOSA-N 253.389 4.828 30 10 CJEE CC(C)(C)[C@@H](CS)CN1CCC[C@H](C2CCCCC2)C1 708236950 XMNMKBFPRANDHR-DLBZAZTESA-N 297.552 4.871 30 10 CJEE C[C@@H](Cn1ccc2cc(C#N)ccc21)CC(C)(C)C 709265768 VLRHKHAKIYIIPA-CYBMUJFWSA-N 254.377 4.585 30 10 CJEE C=CC(C)(C)COC[C@@H](NCCC)c1ccccc1Cl 709524990 IFLOMRQUBCIBFP-MRXNPFEDSA-N 295.854 4.610 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCC[C@H](C)C1 710690250 TWTKQEXHXPADJB-ZFWWWQNUSA-N 257.849 4.571 30 10 CJEE CCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCC1 712296401 YAUGWRALPIOAQB-HNNXBMFYSA-N 294.439 4.639 30 10 CJEE CC1(C)CC[C@H](CC2(C=O)CCCCCCC2)OC1 714100890 QJKUDBPBOYGBSB-OAHLLOKOSA-N 266.425 4.511 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CCCC[C@H]1C 715789064 PBVFDZTZQFFDMT-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@H](C)c2cc(C)sc2C)N1 716906215 BQVFPIRHKXGXBB-UFGOTCBOSA-N 296.505 4.676 30 10 CJEE C=CCCCN(CC)C(=O)Nc1c(C)cccc1SC 930890658 AFKDYAHKAUXBJZ-UHFFFAOYSA-N 292.448 4.537 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 1127232862 NWDVIHSEDLWCQX-MRXNPFEDSA-N 296.357 4.807 30 10 CJEE C=CCC1(CNC(=O)CCCC[C@H](C)CC)CCCC1 1128964061 MPHCPFDXMCNPHY-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CC[C@@H]1N(CCCSC(C)(C)C)CCCC1(C)C 1169844644 ORAFYDGRIICRFH-HNNXBMFYSA-N 283.525 4.975 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC(C)(C)C1 1179142399 HFXVZYOYHOZNPN-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CCOc1ccc(CN[C@H]2CC(C)(C)CC[C@@H]2C)cc1 1181686917 KYYUXYXUKILGSB-YJBOKZPZSA-N 287.447 4.556 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cccc(OC(C)C)c2)C1 1205908302 RCTXWDHNRZOONM-ZBFHGGJFSA-N 259.393 4.631 30 10 CJEE C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1269352105 OZCDIRQGBDESMN-IAGOWNOFSA-N 291.479 4.681 30 10 CJEE C=CC[C@@H]1N(Cc2ccccc2C)CCCC1(C)C 1308724147 MVEQPVIZJLHSQJ-KRWDZBQOSA-N 257.421 4.562 30 10 CJEE C#CCC1(C(=O)Nc2ccc(C(C)C)cc2)CCCCC1 1350477239 DFFALJWWVSIQAO-UHFFFAOYSA-N 283.415 4.722 30 10 CJEE C=CC[C@@H](C(=O)Oc1ccc(C)cc1C)c1ccccc1 1354295933 WWIIZBBUQXDSRI-QGZVFWFLSA-N 280.367 4.569 30 10 CJEE C=CCCC(=O)N(CC1CCCCC1)CC1CCCCC1 1355470927 VTNKDDLEXBUECV-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCCCC(=O)NCc1cccc(-c2cccc(C)c2)c1 1357780544 BYEZDNXTPPWLNC-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=C(C)CN(C)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1461722063 IYJQJDJVCOVEAE-UHFFFAOYSA-N 299.458 4.684 30 10 CJEE C=CCN(C[C@@H](C)C1CCCCC1)c1ccccc1 1462107634 WRJDBKOQEUDBFS-MRXNPFEDSA-N 257.421 4.895 30 10 CJEE C=CCCCN(C)[C@H]1CCCC[C@H]1c1ccccc1 1473550217 JEMZKBNJTFEYOF-ROUUACIJSA-N 257.421 4.611 30 10 CJEE C=CC(C)(C)CNCc1cc(-c2ccccc2)ccc1OC 1474149154 HXMLPACUZXNURI-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C=CCCCCCCNC(=O)NCC[C@@H]1CCCC[C@H]1C 1477896796 DPDQJZVRYKWXIO-SJORKVTESA-N 294.483 4.639 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@@H](CC(C)C)C1)c1ccccc1 1525709003 DPCPJFIJECSSHI-HKUYNNGSSA-N 299.458 4.631 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccc(Cl)cc1)C(C)C 1525855448 RJGUDTUQQUBWDM-CYBMUJFWSA-N 279.811 4.684 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCCC1CCCC1 1529306463 WJZXJSWZHCIYQT-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(C)c(Cl)c1F 1534975124 NVBFVBWGPNARDG-UHFFFAOYSA-N 297.801 4.510 30 10 CJEE 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C[C@@](O)(CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2274181699 SCWZLMLSZYGYDX-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@H](C)CCC 2275394686 CWYOUDVQMKPZSM-HUUCEWRRSA-N 272.429 4.643 30 10 CJEE C=C(F)C[C@H](CCCCCCCCC)OCCCN 2276732257 ISRKVPFDPZKBPH-INIZCTEOSA-N 273.436 4.734 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@](C)(CC)OC 2278243663 PLDCNYVPDKAIGZ-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE Cc1cc(NCC[C@@H]2CCC[C@H](C)C2)cc(C)c1C#N 2280573850 QJYQEMZRFVGRIH-BBRMVZONSA-N 270.420 4.803 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC1=CCCCC1 2281255290 KCXGHOCAIMMHBC-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE N#C[C@H](CSC[C@H]1CCCCC1(F)F)c1ccccc1 2283107444 NLSCFKDXJDPWLW-HUUCEWRRSA-N 295.398 4.852 30 10 CJEE CCCCCCCC(=O)c1nc2ccc(OC)cc2s1 2283176863 QPDFMVFUTHRONO-UHFFFAOYSA-N 291.416 4.848 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CC[C@H]2CCCC[C@@H]2C1 2284077195 PZCCOOKRYANUMT-LMMKCTJWSA-N 274.448 4.704 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCC[C@@H]1C(F)(F)F 2284107004 XFQKQZXFPZOAST-STQMWFEESA-N 286.337 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298.496 4.609 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CCCC[C@H]1C 2293426380 WNKPIOYSUKVPDF-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCCC12CC2 2294019951 BYLMAOCWKFNBLG-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)[C@H](C)CC(C)C 2294027182 PQNSSRUFTHVNBV-MSOLQXFVSA-N 283.500 4.929 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@H](CN)CC1(C)C 2295519282 FCRGOEZLUBAARU-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@]1(C)C(=O)CCN1[C@H](C)CC 2295676793 OLMRTWFWIOPNGB-SJLPKXTDSA-N 281.484 4.959 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1cc(C)cs1 2295681825 KFZKPFQWLMFAPK-DLBZAZTESA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](C)C(=O)N[C@@H]1C(C)C 2295686158 FXVCDWWNJHLXPC-LZLYRXPVSA-N 281.484 4.924 30 10 CJEE CC(=CC(=O)c1ccccc1)Nc1cccc(C)c1C 2297351406 DIZUXSHETZKVKR-UHFFFAOYSA-N 265.356 4.502 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(Cl)cc(F)c1Cl 2304086108 MEEAUSNODVSTQY-UHFFFAOYSA-N 275.150 4.918 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@]12C[C@H](C)[C@@H]1C2 2308834078 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LHLMOYDDCKIDHI-JHJVBQTASA-N 277.374 4.545 30 10 CJEE CCCCCCCCCC(=O)C#Cc1nc(C)cs1 2338345104 FMTOBEFNABOFBK-UHFFFAOYSA-N 277.433 4.513 30 10 CJEE C=CCCCCCC(=O)C1(c2ccc(F)cc2)CC1 2338613602 WHPUZVIKDOKHHD-UHFFFAOYSA-N 260.352 4.563 30 10 CJEE C=CCC(CC=C)[C@](O)(CC)c1ccc(CC)cc1 2338696554 PWICKEZZTXLOSB-GOSISDBHSA-N 258.405 4.615 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1COCC1(C)C 2338964174 ADFOCXQLSMKQOI-HOTGVXAUSA-N 270.457 4.551 30 10 CJEE N#CC1(Cc2ccc(F)cc2C2CC2)CCCCC1 2339220000 RBHUXNNRXDZKHL-UHFFFAOYSA-N 257.352 4.720 30 10 CJEE Cc1c([C@H](O)[C@]2(C#N)CC=CCC2)ccc(Cl)c1Cl 2340460443 QXNQKSMJSCJZDK-LSDHHAIUSA-N 296.197 4.585 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2341886548 UCEFWWPBDZMAHJ-GWCFXTLKSA-N 289.728 4.586 30 10 CJEE CC1(C)CCC(C=O)(CC[C@@H]2CC[C@H]2C2CC2)CC1 2342565533 MFNNWOFKKPPDNG-HOTGVXAUSA-N 262.437 4.988 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343351861 QCQKLRBOAYMCJY-IXDOHACOSA-N 263.469 4.737 30 10 CJEE N#CC1(CO[C@H]2CCC3(CCCC3)C2)CCCCC1 2343594757 LPNWKVIGIKEAKA-HNNXBMFYSA-N 261.409 4.590 30 10 CJEE C=CC(C)(C)N[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343729068 FUPFOJNDLBLDPV-ZDUSSCGKSA-N 271.326 4.711 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC(F)(F)C(F)F)NCCC 2344337166 OOSZDXRWNTZFFD-AAEUAGOBSA-N 283.353 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC 2344341578 CNSYWGSHRJYFRT-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1[C@H]2CCCCC[C@H]21)NC 2344341924 GBVVZUACFHYUJI-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CCC(F)CC1)NCC 2344344428 SAVQYCCRAZPVIQ-SJJHQCBESA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@@H]1c1ccccc1 2344473768 MOCJEHBESDNYAK-TVFCKZIOSA-N 258.405 4.534 30 10 CJEE C=CCCC[C@H](NCCC)C12CC(CC(C)C)(C1)C2 2344841494 ZNJRXGFBRQDHDV-AOCRQIFASA-N 263.469 4.927 30 10 CJEE Cc1ccc(COC[C@](C)(CS)C(C)(C)C)cc1C 2352107048 KQWMPJKMFDJBKZ-QGZVFWFLSA-N 280.477 4.802 30 10 CJEE C=C(C)C[C@@H](CC1CCC(CC(F)(F)F)CC1)NC 2353167987 SVDIHHCNINHVCJ-RUXDESIVSA-N 277.374 4.690 30 10 CJEE C=CCCCC[C@H](N)C1CCC(CC(F)(F)F)CC1 2353611889 ARHGFYAJPGGSTF-RUXDESIVSA-N 277.374 4.819 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1ccc(Cl)s1 37089239 QHYVQEVDJASAFA-VIFPVBQESA-N 294.782 4.894 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCc1ccccc1C#N 37405818 BFQLSWYTMGDMHI-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE C=CCn1c(CC(C)C)nc2ccc(SCCC)cc21 43256524 WGXPDIOIBUELQZ-UHFFFAOYSA-N 288.460 4.923 30 10 CJEE CCCCCCCCCNCCc1ccc(F)cc1 59088664 FMNMYJQVSJHCOA-UHFFFAOYSA-N 265.416 4.708 30 10 CJEE Cc1ccccc1/N=C/c1ccc(C(C)C)c([N+](=O)[O-])c1 59465279 ZYFVSSLYTBCKIB-WOJGMQOQSA-N 282.343 4.777 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 68585121 FKDGZYNQFDMLTL-COPLHBTASA-N 296.336 4.814 30 10 CJEE CC(C)c1c(C#N)oc2c(Cl)cc(Br)cc12 71126139 GOWXUUADPPOKRJ-UHFFFAOYSA-N 298.567 4.844 30 10 CJEE C=CCCC[C@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 71276516 LMTVDMSEYDWGST-KRWDZBQOSA-N 273.464 4.827 30 10 CJEE Cc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(C)C)cc1 83205096 WRHWVJQDFCOKBT-ZHACJKMWSA-N 294.394 4.987 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 86097223 ZVCIBKCIARTHPL-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87930435 KRSVQEWTYJHCHS-WFASDCNBSA-N 281.321 4.968 30 10 CJEE CCCC(CS)(CCC)CN(CC(F)(F)F)C1CC1 94580059 HIXWVUCDYPHQMG-UHFFFAOYSA-N 297.430 4.530 30 10 CJEE Cc1ccc(C)c(/C=C2/CCc3ccccc3C2=O)c1 96021828 URUFLSJAACIIIO-VBKFSLOCSA-N 262.352 4.516 30 10 CJEE CCCCCCCOc1ccc(CNCC2CC2)cc1 100047285 JCBJJJGQUVMDDG-UHFFFAOYSA-N 275.436 4.535 30 10 CJEE C#CC[C@H](CC)c1cc(C(F)(F)F)ccc1OCC 107475035 FAFVEQGLRXLZKT-NSHDSACASA-N 270.294 4.621 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1cccc(Cl)c1Cl 107499661 HHOZJUUDEGNFSI-YGOYTEALSA-N 259.176 4.664 30 10 CJEE CC#C[C@@H](C)Cc1ccc(OCc2ccccc2)cc1C 107616762 PSLSGXFCLIOSSF-MRXNPFEDSA-N 278.395 4.776 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc(OC)c1 109896263 CWZSOPINSVBYLY-OAHLLOKOSA-N 263.425 4.534 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H]2CC[C@@H]1C2 109900750 IQJWKURVEILVHL-GUTXKFCHSA-N 259.418 4.565 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)Cc1ccccc1 109961743 FXMVCUJZSABXJY-SJORKVTESA-N 261.453 4.956 30 10 CJEE CCCCCCCO[C@@H](CNC(C)C)c1ccccc1 110067993 YAPSUJRRNSTMCB-SFHVURJKSA-N 277.452 4.713 30 10 CJEE N#Cc1ccc(NC[C@H]2CCCc3ccccc32)cc1Cl 111341545 HYNHFNYMTUPJDU-OAHLLOKOSA-N 296.801 4.744 30 10 CJEE CCCCCCCCCOc1ccc(C[C@H](C)N)cc1 112904441 QXGZLZSQGQVGRC-INIZCTEOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](C)OCC 113370634 RGCQRKORLGRWSW-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCc1nc([C@H]2CCCN2)no1 115861798 PACUOOVUPIVOKQ-OAHLLOKOSA-N 293.455 4.567 30 10 CJEE CCCCCCC[C@@H](O)CSc1ccccc1C 117435975 OVTONLIGDMGGCQ-OAHLLOKOSA-N 266.450 4.809 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(C)c1C 122350563 WHWPOVZGYAGIKZ-KRWDZBQOSA-N 262.441 4.558 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](C)CC[C@@H]1C(=O)O 126119972 YBCUNVQEUZSLAC-KFWWJZLASA-N 254.414 4.874 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](CCC)OCC 126420460 ZQCRXTBBDDFKRG-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C1CCC1 126570110 PJTSKQRQFVMUFX-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCCNCc1cn(C)nc1C(C)C 129260403 GONPEMHNDJVDAD-UHFFFAOYSA-N 293.499 4.774 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1sc2ccccc2c1C 129831811 GXXZOSFDXYFLOZ-ZIAGYGMSSA-N 271.429 4.662 30 10 CJEE CCSc1cccc(NC[C@H](C)c2ccccc2)c1C#N 131761216 KEOUSFJJDPXDIE-AWEZNQCLSA-N 296.439 4.886 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H](C)OC)NC 139457239 XPXHRBPLUUFRHI-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]1(C)CCCS1 139562643 URJBAXXYRBUVLI-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CCC)CC[C@H]1CNCCC 156134939 CNTLSVVSCYFEJL-IXDOHACOSA-N 251.458 4.785 30 10 CJEE C=C(CC)C[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C 156298135 QZYVLYGKXJNCMV-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2c1OCC2 160127580 FXGYPFIMZQKPJV-KRWDZBQOSA-N 276.420 4.796 30 10 CJEE CCCCCCC[C@H](NCC)c1ccncc1CC 165194300 NVOOJGUAPNQLSB-KRWDZBQOSA-N 262.441 4.655 30 10 CJEE Cc1ccc(NC(C#N)(CC(C)C)CC(C)C)cc1 165898566 ARWWNKDZNLPOJF-UHFFFAOYSA-N 258.409 4.762 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccsc1C 227931756 LRORMCUBYQJZES-HNNXBMFYSA-N 268.470 4.702 30 10 CJEE CCCCCCCC[C@@H](COC(C)C)NCCC 228670285 OXDDCWGASHNFSY-INIZCTEOSA-N 257.462 4.530 30 10 CJEE C#C[C@H](CCC)NCc1c(Cl)ccc(Cl)c1Cl 229928493 OBVFMBCLJLJFDJ-SECBINFHSA-N 290.621 4.538 30 10 CJEE C=CCCCCCC(=O)c1cc(C)cc(Cl)c1 231398745 BUKYSVGPDHQZEL-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE CCCCCCCCC[C@H](C#N)NCc1ccccc1 232936256 GKSBDQUWVCLOKB-GOSISDBHSA-N 272.436 4.809 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(Cl)c1 234461048 WFANHSSEQDNBDV-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(C)c2ccccc2n1 235756376 LVAVNGKXUAJCRN-MRXNPFEDSA-N 268.404 4.680 30 10 CJEE CCCCCCCCC[C@@]1(CN)C[C@H]2CC[C@H]1C2 250828091 OWQABADMGMIJOR-ULQDDVLXSA-N 251.458 4.892 30 10 CJEE CCc1ccccc1N=Cc1c(O)ccc2ccccc12 254517668 MKYCFZBXRMOUOP-UHFFFAOYSA-N 275.351 4.858 30 10 CJEE CCCCCCCCCCN1CC[C@H](CC)C[C@H]1CN 300172287 VKLRJCKSXDKFNV-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCC[S@](=O)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 300447730 BVBQLKRQUVJSAG-ROYATCLZSA-N 297.508 4.670 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@H](OCC)C1(C)C 300634504 KTKZKCPQWVIUEU-JYJNAYRXSA-N 269.473 4.529 30 10 CJEE CCCCCCC[C@@H](O)Cc1sccc1Cl 304476027 BELABWSWPYPZIV-LLVKDONJSA-N 260.830 4.665 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C1(CC=C)CCCCC1 309751164 HXVPRPFSBJMLPJ-UHFFFAOYSA-N 297.442 4.728 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2ccc(Cl)cc2Cl)O1 310385303 JYAPORRNMJMGCO-OLZOCXBDSA-N 270.159 4.517 30 10 CJEE C[C@@]1(c2cccc(Cl)c2Cl)CC[C@](C)(CC#N)O1 310910856 QSUUVMLNSOXSTI-KGLIPLIRSA-N 284.186 4.691 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc(C(C)C)cc1 311376245 LFDNYFPCDCOJGV-KRWDZBQOSA-N 257.421 4.510 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2F)C1 317260544 FWMHKLXOVMXJGQ-WBMJQRKESA-N 282.786 4.807 30 10 CJEE C=CC[C@@H](C)NCc1ccc2c(c1)c1ccccc1n2CC 317498490 UOZYIHOGDHJSTE-OAHLLOKOSA-N 292.426 4.869 30 10 CJEE CCCCCCCCCC[C@H](CN1CCCCC1)NC 328454432 QNHIVXOUPFRFNI-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2csc(C)c2)CC1 328575644 YJENJXTVNJKHMP-SIWZUTFBSA-N 277.433 4.590 30 10 CJEE O=C1C=C(c2cccc(Cl)c2C(F)(F)F)CCCC1 379011314 MNVXJTWTMWAIMK-UHFFFAOYSA-N 288.696 4.885 30 10 CJEE N#CC(Nc1cccc(Cl)c1)(C1CCC1)C1CCC1 382144630 DMHUQTIAZDVNOC-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cccc(C(F)(F)F)c1 385005642 MPUJDMYMPVJNRA-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE CC(C)c1ccccc1N=C1N[C@@H](C2CCCC2)CS1 386233293 KDXPWWVWPJJBTD-MRXNPFEDSA-N 288.460 4.693 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccnc(Cl)c2)CC1 388702248 VXZFDEUSZSQVLJ-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE CC(C)[C@@H](NC[C@H](C#N)C1CCCCC1)c1cccs1 397201303 QEZBJZVLEPAOMR-DOTOQJQBSA-N 290.476 4.755 30 10 CJEE CC(C)[C@H](C#N)CSc1cc(Cl)ccc1Cl 397505252 IKMNMYBODJTJSA-SECBINFHSA-N 274.216 4.881 30 10 CJEE C=CCCC[C@H](C)NCc1c(C)oc2ccccc12 398158496 HHBNYHXCLPJCIZ-ZDUSSCGKSA-N 257.377 4.576 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(F)c1C 398934306 POMAJQUUMSVCCX-KRWDZBQOSA-N 280.431 4.779 30 10 CJEE C=CCCO[C@@H]1CCCCCCCCCC[C@@H]1NCC 403415921 PGICCUMPQYBBGV-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE N#CCc1ccc(-c2cccc(Cl)c2Cl)cc1F 514263368 SLYPSYJMFKQFIV-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=C(C)C[C@H](C)c1nc(C(C)(C)c2cccc(F)c2)no1 563916306 ORIRAJMATJYIOR-LBPRGKRZSA-N 288.366 4.604 30 10 CJEE CCCCCOC(=O)Nc1scc(C(C)(C)C)c1C#N 586483119 CQPRZLHHXWYACX-UHFFFAOYSA-N 294.420 4.656 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@@H](CCC)CC1 686683738 NSXQKUNONLKYFI-SJORKVTESA-N 250.426 4.682 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 686698466 YGXLLHKPDZRYHW-CQSZACIVSA-N 270.203 4.577 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)c(C)s1 686701278 IKXHOLIHAGIKEI-MRXNPFEDSA-N 277.477 4.989 30 10 CJEE Cc1c(Cl)cc(NCC#CC(C)(C)C)cc1Cl 690262662 OKADLBQSNRDCJX-UHFFFAOYSA-N 270.203 4.763 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)O)c(Cl)c1 692216282 YDBRWWFQVMQPPU-IAQYHMDHSA-N 293.794 4.585 30 10 CJEE COC1(CC2(C=O)CCCCCCC2)CCCCC1 692805995 BJXSNJZGUCQXBF-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE C[C@@H](CC1(C=O)CCCCCCC1)c1ccccn1 692922775 LYWUBHMOANXBHL-HNNXBMFYSA-N 259.393 4.505 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@H]1C1CC1 699159554 QTIRGEHIURANMH-BBWFWOEESA-N 251.458 4.761 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCCC[C@H]1C(C)C 701918452 HGVIUSGXZYMTCA-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@@H]1CCC12CCCCC2 703685873 BDQGCKRQIPJODI-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)s1 703988009 IRGXAQCPVGKBCH-ZDUSSCGKSA-N 251.439 4.700 30 10 CJEE CCCCCCCCCC[C@](N)(COC)C(C)C 704857556 UPGJUGDELCFOPV-INIZCTEOSA-N 257.462 4.517 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C1CCCC1)C1CCC1 711844315 NTBJTSBFDQHMBD-SFHVURJKSA-N 268.404 4.638 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](NCC)CCN1[C@@H](C)CC 712154865 UNTYXUPIPZBQMV-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CCC(C)(C)CO2)CC1 714102779 KWXILIPBRKIECB-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@H](C#N)C1CCCCC1 717505417 XFPBKELIYFCDQK-PVAVHDDUSA-N 276.468 4.511 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C2(C)CCCCC2)C1 720385743 JDIPYYMRDLNOJL-BRWVUGGUSA-N 276.468 4.750 30 10 CJEE CC[C@](C)(C=O)CCc1cc(Cl)cc(Cl)c1 722135961 JEIFBRRXAZPRTG-ZDUSSCGKSA-N 259.176 4.541 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2csc(C)c2)CC1 724575654 OVOJXYFOCODOER-MRXNPFEDSA-N 263.450 4.844 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H](C)c2ccccc2)CC1 724575703 PYBDWQLDFRALPG-CRAIPNDOSA-N 257.421 4.515 30 10 CJEE C=C1CCC(C[C@H](CCC(C)(F)F)NCCC)CC1 724607489 NWUHEWZSSYNXAX-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE CSc1c(CC#N)sc2c(C(F)F)cccc12 725295843 KXITVPAQDDUNQW-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 1137008311 YPJBUGVGQQGALU-OALUTQOASA-N 299.458 4.774 30 10 CJEE C=CCn1c(C)cc(C(=O)CSc2ccccc2C)c1C 1165563008 XZVWSZOLUICDEL-UHFFFAOYSA-N 299.439 4.574 30 10 CJEE C=C(C)[C@H](N[C@@H](C)[C@@H](C)CC)c1ccc(F)c(F)c1 1169472512 HLYBUVPKPQNGJR-MKBNYLNASA-N 267.363 4.606 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC[C@H]1CC=CCC1 1216892140 VVYAGRARDWQLEV-INIZCTEOSA-N 298.430 4.673 30 10 CJEE C=CC1(CC(=O)NCCC2=CCCCCC2)CCCCC1 1268815247 LZJSGODUDLVDKM-UHFFFAOYSA-N 289.463 4.910 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 1279069300 IEUBCJNZTKQQGZ-IAGOWNOFSA-N 270.372 4.593 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)s2)c(Cl)c1 1308538725 YMAJVADIXAHJOE-UHFFFAOYSA-N 282.195 4.648 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1C 1309979287 UTOFNHRKUSPYTO-GFCCVEGCSA-N 280.799 4.515 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CCc2ccccc21 1355717296 RTULHSSTFSACHT-QAPCUYQASA-N 285.431 4.515 30 10 CJEE C=CCC[C@@H](C(=O)NCC1CCC(C)CC1)c1ccccc1 1355784679 AWRVAGKQDVCRCF-FAFZWHIHSA-N 299.458 4.679 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2cccc(C)c2C)CCCC1 1456257014 RLCJQNKRCHUJLK-MRXNPFEDSA-N 285.431 4.617 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCC[C@@H](C)C1 1462310327 AXUZJPDJZRQBED-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cc(F)ccc1Cl 1465537026 QXGTXCBDDAHJBM-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CCN(C[C@@H]1CCC[C@H](c2ccccc2)O1)C(C)(C)C 1473651656 PTJNSKHVZCXGGR-ZWKOTPCHSA-N 287.447 4.583 30 10 CJEE C=CC[C@H](C)N1CCC(Cc2ccc(Cl)cc2)CC1 1473725611 RWDZNXSJQJBKJU-AWEZNQCLSA-N 277.839 4.559 30 10 CJEE C=CCN(C/C=C/c1cccc(F)c1)Cc1ccccc1F 1474366667 XRTYNKQPKHOEHP-SOFGYWHQSA-N 299.364 4.666 30 10 CJEE C=C[C@H]1CCCCN1Cc1cccc(C2CCCC2)c1 1474482625 AYKVRPXECANDIH-IBGZPJMESA-N 269.432 4.885 30 10 CJEE C=CCC[C@@H](CC)NC[C@]1(c2ccccc2)CC1(C)C 1474639677 MEAGKDAHXXAPCE-MJGOQNOKSA-N 271.448 4.689 30 10 CJEE C=CCC[C@H](C(=O)NC1CCCCCCC1)c1ccccc1 1524418709 QLZCSIDFABRPAI-IBGZPJMESA-N 299.458 4.966 30 10 CJEE C=CCCC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 1526719377 CMTRHCABFDPGMT-UHFFFAOYSA-N 287.309 4.537 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 1537413742 ASPICPUPASVBPN-INIZCTEOSA-N 297.423 4.840 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(CSCC)cc2)CC1 1543593556 FVZNBHMYQMMCQU-UHFFFAOYSA-N 289.444 4.625 30 10 CJEE C=C1CCN(C/C(C)=C\c2ccccc2C(F)(F)F)CC1 1560654191 FUZNYUDYFKWHPJ-KAMYIIQDSA-N 295.348 4.761 30 10 CJEE C#Cc1ccc(NC(=O)C=C2CCC(C(C)(C)C)CC2)cc1 1586089934 HSAXYMPSVGMLME-UHFFFAOYSA-N 295.426 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](F)CC1CCCCC1 1587234279 RHBWASCVYXSKAZ-BRWVUGGUSA-N 295.442 4.546 30 10 CJEE C=C(C)c1cccc(NC(=O)c2sccc2SC)c1 1616751853 CFFFJMCLZWDDAH-UHFFFAOYSA-N 289.425 4.755 30 10 CJEE C#CCCCCCC(=O)NC(C)(C)c1ccc(C(C)C)cc1 1617494013 SARFASVLLGHAQX-UHFFFAOYSA-N 299.458 4.745 30 10 CJEE C#CC[C@@H](NCCc1ccc2ccccc2c1)c1ccccc1 1642510466 OMGCZCJASXPJLG-JOCHJYFZSA-N 299.417 4.737 30 10 CJEE C=CCCCCN(CC1CCCCC1)OCC(C)C 1643657943 UMLWXCBKQSMRTD-UHFFFAOYSA-N 267.457 4.813 30 10 CJEE C=CCN(CCC(C)(C)C1CC1)CC1CCCCC1 1644602765 DVFRUFFCBSYNSB-UHFFFAOYSA-N 263.469 4.881 30 10 CJEE C=CC[C@@H]1N(Cc2ccc3ccccc3n2)CCCC1(C)C 1645452959 AZZQUOWKVYMZPN-IBGZPJMESA-N 294.442 4.802 30 10 CJEE C=CCCCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 1645688937 TZJGHYRRHHJDJP-SFHVURJKSA-N 297.446 4.836 30 10 CJEE C=CCC1(CNCc2cc(C)cc(Cl)c2)CCCC1 1651073319 GKPKUHVWSLHXEI-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE C=CCCCCCN(C)Cc1ccccc1OC(C)C 1652546744 NCZIPIINNITXRC-UHFFFAOYSA-N 275.436 4.652 30 10 CJEE C#Cc1cccc(CN[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1 1652667068 DYTDLGYMVACSIA-LSDHHAIUSA-N 297.829 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC(c2cccc(OC)c2)C1 1652806839 TZHVGLGWAHGOER-CNXCKVANSA-N 299.458 4.666 30 10 CJEE C=C(C)CN(C)Cc1ccc2oc3ccccc3c2c1 1652852495 SXDXKKPCFIRFDV-UHFFFAOYSA-N 265.356 4.594 30 10 CJEE C=CCN(Cc1c(CC)ccc2ccccc12)C1CC1 1653871876 SHQFMIZMHXAPJF-UHFFFAOYSA-N 265.400 4.553 30 10 CJEE C=C(C)CCN1CCC(c2ccccc2C(F)(F)F)CC1 1657786533 FATDPJZJIVSTFE-UHFFFAOYSA-N 297.364 4.851 30 10 CJEE C=CCC1(CNC/C=C\c2ccc(F)c(F)c2)CCCC1 1662447347 UOSLZKBYOUDLKF-WAYWQWQTSA-N 291.385 4.704 30 10 CJEE C=CCCCC[C@@H](C)NC[C@H](c1ccccc1)C1CC1 1664842640 HZGXBDDFZWZUIO-VQIMIIECSA-N 271.448 4.905 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2(C3CCCCC3)CC2)c1 1665184306 OOCYOPWTAHKHDV-UHFFFAOYSA-N 298.430 4.954 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C2CCC2)cc1 1671289060 YJZPDQBSOKRHGH-SFHVURJKSA-N 298.430 4.917 30 10 CJEE C=CCCCCCCNC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 1682209182 IIVZHFBSGOYFTN-CVEARBPZSA-N 294.483 4.637 30 10 CJEE C=C(F)CN(C)Cc1c(C)cc(C(C)(C)C)cc1C 1882926577 OGNZYLGBWMAMKB-UHFFFAOYSA-N 263.400 4.516 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 1883896987 IPPPEPYWTOXDTE-OAHLLOKOSA-N 259.437 4.771 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)c(C)c1 1884677619 GHVUQYLEQXXKKT-IYBDPMFKSA-N 275.823 4.722 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H]2CC[C@H](CCC)CC2)C1 1885067114 HAZAMZPKCPXTMP-KZNAEPCWSA-N 263.469 4.881 30 10 CJEE C=CCCN(Cc1ccccc1)c1ccc(C=O)c(Cl)c1 1886642375 LYQUZAPJXSEMFT-UHFFFAOYSA-N 299.801 4.735 30 10 CJEE CCCCCCCN(C)C[C@H]1CCC[C@H]1C(F)(F)F 1887038088 GBVINJBCLCCPIA-ZIAGYGMSSA-N 279.390 4.867 30 10 CJEE C#CC[C@@H](C)CC1(N)CCC2(CCCCCC2)CC1 1887426300 AMNLFGYWSSRFGL-MRXNPFEDSA-N 261.453 4.648 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1C[C@H]1CC)NCCC 1888718520 IODCIQYXOCTTPY-NXHRZFHOSA-N 257.421 4.504 30 10 CJEE C=C(COCc1ccccc1)[C@@H](O)CC[C@H](C)CCCC 1906718882 RZGXEPNAOMPZTK-APWZRJJASA-N 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281.484 4.794 30 10 CJEE C=CCCCCCCCCCN(CC=C)[C@@H](C)COC 2207379351 PHKFQLOGYFTWCA-SFHVURJKSA-N 281.484 4.816 30 10 CJEE C=CCCCCCCCC[C@H](N)c1cnc(N(C)C)s1 2207417084 ZYCDXLZKYPQKMF-AWEZNQCLSA-N 295.496 4.516 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@H]1CCCSC1 2207434731 DWPNFXYVKVERJW-DLBZAZTESA-N 298.540 4.658 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCS[C@H](C)C1 2207441160 GSENQRIEXHAFLQ-IKGGRYGDSA-N 298.540 4.657 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H]1C[C@H]1COC 2207442261 PNQUCSZBBWDOIK-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE CCCCCCCCN(C)C[C@@H](CC(C)C)NCCC 2207646672 QGDQBACAYLRPNW-GOSISDBHSA-N 284.532 4.693 30 10 CJEE CC1(C)CC(C#N)(c2cccc(Cl)c2Cl)C1 2211222267 DOIUACSGMFUNBJ-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCS[C@H](C)C1 2214619407 VHBDKZSWUHAPFW-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1sc(C)c(C)c1C 2215534608 ARKFSYWBIFTTPM-QMTHXVAHSA-N 251.439 4.536 30 10 CJEE C=CCC[C@H](C)[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2216076831 RSBDAHXIBLHLFY-IINYFYTJSA-N 272.219 4.770 30 10 CJEE C=CCSC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2216161692 LSPJHUZSKLUHAX-ZDUSSCGKSA-N 290.259 4.563 30 10 CJEE FC(F)C1CC(SCC2(CS)CCCCC2)C1 2217466281 PGKDXQDSVWSKER-UHFFFAOYSA-N 280.449 4.644 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1C[C@H]1F 2220081942 APRNHLBKXIZVHK-XHSDSOJGSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H]1C 2220088228 LEJAJRFTIFMGJW-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC2(C)CC(C)(C)C2)C1 2221012023 BTGNDFQACFXTHI-WMLDXEAASA-N 250.426 4.988 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)C(C)C 2223264344 INAPHSOQJJKHSL-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@](C)(CNC(C)C)OC 2223585799 HRXCHJAAZRGGGP-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H]1[C@H]2CCCC[C@H]21 2223832398 RBXAIPGKDFOIAD-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C(F)(F)C12CC2 2223848436 OVYUMWUNRRTLRV-OLZOCXBDSA-N 259.384 4.513 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@@H]1C(F)(F)F 2224399338 ORZIRFFKSAFMGR-KBPBESRZSA-N 279.390 4.915 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225319493 UXKCGPNOZQTSEH-XMTFNYHQSA-N 261.453 4.667 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225365491 JJKRSXWKSBIQCE-FICVDOATSA-N 260.421 4.908 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC(F)(F)C1 2225384746 JRWKEVRLWQEEIM-CBBWQLFWSA-N 267.363 4.922 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(Cl)cc1F 2225434279 QEENCFJGHWQGKS-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE C=CCCCCCCCC(=O)C1(OCC)CCCC1 2227279706 JZRAXNNEUQHKGY-UHFFFAOYSA-N 266.425 4.822 30 10 CJEE C=CCCCCCCCN(C)CC1C[C@H]2CC[C@@H]2C1 2227525830 QWVJOOJXNMOZBJ-QZTJIDSGSA-N 263.469 4.881 30 10 CJEE C=CC1(CNC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 2230663841 UOACBZLHESDINN-BRWVUGGUSA-N 261.453 4.539 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CC)[C@H](CCC)NCC 2231024889 BMNIJUOFJHAAAP-IKGGRYGDSA-N 269.473 4.695 30 10 CJEE Cc1ccc(Cl)c(C(=O)C#Cc2cccc(Cl)c2)c1 2231079756 OMNYEYIJJCGRCZ-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cccc(Cl)c1F 2231536534 KCYIPKZKJNPSNK-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=C[C@](C)(CC[C@H]1CCCC1(F)F)CNC1CCC1 2231557415 DCHHBXZSETWMGS-UKRRQHHQSA-N 271.395 4.536 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccc(C2CC2)cc1 2231597397 ZTJXBUKZFZSSFV-KDOFPFPSSA-N 256.389 4.502 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCO[C@H](CC)C1 2231930757 XUKRNZVAXUUKPE-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2CSC[C@@H]2C1 2231933453 VWUUFIWECASMNV-NCOADZHNSA-N 283.525 4.857 30 10 CJEE C=CCCCCCCCCOc1cc(C)cc(C#N)n1 2234039950 DDSIHUCBSMHOJS-UHFFFAOYSA-N 272.392 4.557 30 10 CJEE CCCCCCC[C@@H](NC)c1ccnc(C(C)(F)F)c1 2234909214 LIVMPSZUUJCWFP-CQSZACIVSA-N 284.394 4.814 30 10 CJEE CCCCCCCC[C@H](N)c1ccnc(C(C)(F)F)c1 2234909742 RJEKUTJZMREHCD-AWEZNQCLSA-N 284.394 4.944 30 10 CJEE C=CC1(CNc2ccnc(C(C)(F)F)c2)CCCCC1 2234915336 MOHFARSVKUXXMV-UHFFFAOYSA-N 280.362 4.742 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@](O)(CC)CCCC 2235520144 WSMOMJWUSKLUST-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCCCC[C@H](N)CC12COCC(C1)C2 2236284361 KYTORKVMBJQAOE-ADKAHSJRSA-N 281.484 4.661 30 10 CJEE CCCCCC#CC[C@H](NCC)C1(C)CC2(CCC2)C1 2236509205 VIXCZUBKXIQURA-KRWDZBQOSA-N 275.480 4.909 30 10 CJEE CC(C)[C@H](CS)CN(C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2238904037 QYDJWQOREAYGHO-OWSLCNJRSA-N 297.552 4.727 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C[C@H]2CC[C@H]1C2 2239249134 TXDMJWOIWYDQCY-UGCZWRCOSA-N 274.448 4.988 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H](C)[C@H](NCC)C1 2239449198 NEYYMFXDXIABGJ-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCOC1(C(=O)O)CC2(CC2)C1 2239479937 AEQYJTUIISSQJF-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE CCCCCCCCCCOc1cccc(C#N)c1N 2239493026 OYYDNAPJLFOKOQ-UHFFFAOYSA-N 274.408 4.660 30 10 CJEE CCCCCCCCCCCOc1cccc(C#N)n1 2239551221 ZGZXOPRNTVLZAW-UHFFFAOYSA-N 274.408 4.863 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(N)C#Cc1ccc(Cl)cc1 2239562116 HOZPITVYNQTHKJ-AEFFLSMTSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@H](C)[C@@H]1C 2240555604 IKIPZUWLEBLWBK-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2OCC[C@@H]2C1 2240666046 JKUMWZILCMTPKR-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE CC(C)=C(C)C(=O)c1cc(Cl)c(Cl)cc1C 2244385838 DCLKATPZHFXYKG-UHFFFAOYSA-N 257.160 4.841 30 10 CJEE CC(C)[C@H](CS)CSCC12CCC(CC1)C2 2245383849 BPCWREJSBXHPBD-ROKHWSDSSA-N 258.496 4.502 30 10 CJEE CCCCCCCCCC(=O)C1CC(SC)C1 2248495663 PJPFZTRANDRZGD-UHFFFAOYSA-N 256.455 4.838 30 10 CJEE C=C[C@H](C)CC(=O)c1ccc(C(F)(F)F)cc1Cl 2257494168 INRGJYKENKYSGH-QMMMGPOBSA-N 276.685 4.754 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)nc(Cl)c1 2258721177 MXWVEXVHMQEKDJ-YGRLFVJLSA-N 283.202 4.651 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)CCC[C@@H](C)CC1 2259245683 WQIQTKRKHJXIMZ-GDBMZVCRSA-N 252.398 4.794 30 10 CJEE C=CCCCC[C@H](OCCCN)c1cscc1Cl 2262612480 AZMXIFPKDFVQKG-AWEZNQCLSA-N 287.856 4.554 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CC(F)(F)C12CCC2 2266153493 UFTOGICFDSYTRM-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCCC(C)(C)CC1 2268754620 KRNUBIJDDQTQKT-SFHVURJKSA-N 262.437 4.704 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@H]2C(F)F)CCCCC12CC2 2270058558 HVPDZDJUYLVSGA-XJKCOSOUSA-N 267.363 4.922 30 10 CJEE C=CCCCOc1cc(C)c(Cl)cc1[C@@H](C)NCC 2270946169 ANAPPBNWUGXVAX-CYBMUJFWSA-N 281.827 4.664 30 10 CJEE CC1(CSc2ccc(C#N)cc2)CC(C(F)(F)F)C1 2271695095 UULWXKVUMSIJTF-UHFFFAOYSA-N 285.334 4.629 30 10 CJEE C=C(C)CCCCNCc1ccc(C(C)(C)C)cc1 2271835994 AVUGQALIMKLHRN-UHFFFAOYSA-N 259.437 4.820 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)C[C@@H]1CCCCC1(F)F 2271838576 HPSSYBDPQPBTBZ-ORAYPTAESA-N 293.423 4.605 30 10 CJEE CCCCCCCCCN1CC[C@@H](C#N)CC12CC2 2272816788 YLUIJYHMUFPWRL-MRXNPFEDSA-N 262.441 4.505 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(O)C#CC1CCCCC1 2274071912 MBRCIFWZFLMHTD-WMZOPIPTSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@H](C=C(C)C)OCCCN 2276445105 GYTZOVLXOKYADS-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCC[C@](C)(C[C@@H](C)CC(C)(C)C)OCCCN 2276607376 CSUBYTOGQKKCAX-DOTOQJQBSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1(C)CCC1 2276781712 IVELQBUPZMEUMP-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)C(C)(C)C)OCCN 2277265466 KSHNCYKEEUJXDA-CVEARBPZSA-N 271.489 4.763 30 10 CJEE CCCC(CS)(CCC)COCCc1ccccc1 2277802074 XGYMTHGKBNYVCQ-UHFFFAOYSA-N 280.477 4.762 30 10 CJEE C#Cc1ccc2c(ccn2CCCCCC2CC2)c1 2277832942 FDUDYQPAMZTQLT-UHFFFAOYSA-N 251.373 4.593 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H]([C@@H](C)CC)O1 2278126568 FCHHERSEPLIRAB-YESZJQIVSA-N 269.473 4.878 30 10 CJEE CCCCCCC[C@@H](N)c1nc(C(F)(F)F)c(C)s1 2278192016 MJBWDXSUWVATJY-SNVBAGLBSA-N 294.386 4.831 30 10 CJEE CCCCCCCCC[C@@]1(C)CC(=O)N[C@H]1C(C)C 2278238725 XJFVJGPADKMBKP-IRXDYDNUSA-N 267.457 4.678 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCC2(OC)CCCCC2)C1 2280308925 WTWXBTPNIDJBOP-BZUAXINKSA-N 295.492 4.787 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C1(OC)CC(C)C1 2281081359 CZCWYNIGPOFVKR-LXPRWKDFSA-N 282.468 4.859 30 10 CJEE N#C[C@]1([C@@H](O)c2csc(C3CC3)c2)CCCC12CCC2 2283063458 RQWORFSLSUXZBL-RDJZCZTQSA-N 287.428 4.523 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C(C)=NO)c(C)c2)C1 2283259033 XYLYIFIKHVBQQT-HUUCEWRRSA-N 275.392 4.541 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1c(C)cccc1C 2284094731 IXPNUVKSXFCDKL-KRWDZBQOSA-N 269.432 4.560 30 10 CJEE C#C[C@@]1(N2CCCCCC2)CCC[C@H](C(C)(C)C)CC1 2285982231 WXTUCYYTLWMFKO-PKOBYXMFSA-N 275.480 4.861 30 10 CJEE CCCCCCCCCCCCN1C[C@H]2COC[C@H]1C2 2286939930 VHVULSQJWCVUQE-ZWKOTPCHSA-N 281.484 4.628 30 10 CJEE C=C(C)CCCC[C@H](CCC1CC(OC)C1)NCCC 2287413011 HHGFNWPIVJMMEN-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ncoc1C1CC1 2287413246 IMWRPHPOPFUCBH-OAHLLOKOSA-N 276.424 4.729 30 10 CJEE C=CCCCCCCCOC[C@@]1(CC=C)CCCCN1 2287842164 YCMISKZEZBLFLQ-GOSISDBHSA-N 279.468 4.618 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1(C)C(C)(C)C1(C)C 2289692447 HXKHKIIIJBZQEQ-MRXNPFEDSA-N 275.480 4.621 30 10 CJEE CCN[C@@H](CCC#CC1CCCC1)c1cccc(C)c1 2289860409 VCYZVJXCCBEFGL-IBGZPJMESA-N 269.432 4.619 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1CCCCCCC1 2289875920 SUXZBYRKIBKHOZ-IBGZPJMESA-N 275.480 4.909 30 10 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297.414 4.664 30 10 CJEE N#Cc1ccc(CNc2ccccc2-c2cccs2)cc1 35053513 SHLOUOPODHQBJG-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973276 CIHXGGZSHWQVFC-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 36973598 POTYCKIORNHJPI-JQWIXIFHSA-N 282.309 4.568 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1ccc(Cl)cc1 37089199 LCGNWPRSNGDPHD-NSHDSACASA-N 288.753 4.832 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc3c(c2)CCC3)C1 37156454 GMOVLPWTRCQORI-SRCQZFHVSA-N 271.429 4.596 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1csc2ccccc12 54464723 UVMLYPTVZVKSDY-HNNXBMFYSA-N 282.343 4.717 30 10 CJEE CCc1ccc(OCCC[C@H](C#N)c2cccc(F)c2)cc1 57688412 CWWWLTREKOGTSO-QGZVFWFLSA-N 297.373 4.854 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(C(=O)OC)c1 59207917 YSNFMORPFHSKBP-AWEZNQCLSA-N 277.408 4.634 30 10 CJEE CCCCCCCNc1ccc([N+](=O)[O-])cc1Cl 59431152 GNMBPYKBUGLVMT-UHFFFAOYSA-N 270.760 4.631 30 10 CJEE CCc1cccc(C)c1/N=C1/N[C@@H](c2ccccc2)CS1 63001166 METSYFMXMQRFIN-MRXNPFEDSA-N 296.439 4.623 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[C@H]1C 68585115 FKDGZYNQFDMLTL-SUNKGSAMSA-N 296.336 4.814 30 10 CJEE CCc1cc(-c2cc(C#N)c(C(C)C)o2)ccc1OC 77079705 MDBVDKSGXPSMBM-UHFFFAOYSA-N 269.344 4.513 30 10 CJEE CCC[C@@H](CS)COc1cc(Cl)cc(Cl)c1 87080671 WTXGYTZDYYNJBH-SECBINFHSA-N 279.232 4.718 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2Cl)C1 87930403 FSALZKFZQIMPFJ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCC[C@@H](C)N(C)CC(CS)(CCC)CCC 94579150 OTZYMPNXVCUFAH-CQSZACIVSA-N 259.503 4.623 30 10 CJEE CCC[C@@H](CS)COc1cccc(C(C)C)c1 94582614 APYVQYSQVHMQPQ-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 94595030 ABQKQZNFIJYGIO-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCC1(CC)CCN(CC2(CS)CCCCCC2)C1 94815429 NTWOHTWCACWRKJ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 97208898 JIQLMDFDUBSWEG-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CCCN(CCCCCCCCCS)C(C)C 97799204 UNYBKKVGRCWBKA-UHFFFAOYSA-N 259.503 4.767 30 10 CJEE CCCCCCCn1cc(C#N)c2c(F)cccc21 107042107 JIKIKDLUSXTMDA-UHFFFAOYSA-N 258.340 4.622 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(Cl)c(OC)cc1OC 107675102 BLGBBXYHGPUWDJ-VXGBXAGGSA-N 280.795 4.510 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(Cl)c(OC)cc1OC 107675104 BLGBBXYHGPUWDJ-NWDGAFQWSA-N 280.795 4.510 30 10 CJEE CCCCCCCCOCc1ccc(CNC2CC2)cc1 110171221 CPRCMEWEXQQKFQ-UHFFFAOYSA-N 289.463 4.816 30 10 CJEE COc1ccc(Nc2ccc(C#N)cc2Cl)cc1Cl 110251287 IFZCHBBYYQWLCZ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCN(c1ccc(C#N)c(C(F)(F)F)c1)[C@@H](C)CC 110256458 ZMSZNQCCRUZRNA-LBPRGKRZSA-N 298.352 4.982 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H]1c1ccccc1 110449044 URCMQLJOTOFDOA-MSOLQXFVSA-N 259.437 4.883 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)N1CCCC1 118143278 YQTVHDUAZDKMPU-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCn1ccc([C@@H](CC)NC)c1 118242563 KWYXRYITWQVARD-MRXNPFEDSA-N 250.430 4.519 30 10 CJEE CCCCCCC[C@H](NN)[C@H]1CCC[C@H](C(F)(F)F)C1 122310912 NXYBJAKSOAEYCZ-IHRRRGAJSA-N 294.405 4.548 30 10 CJEE 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C[C@@H](SCc1ccc(C#N)cc1)c1nc2ccccc2o1 183439587 GTLVJPKSQBMBPU-GFCCVEGCSA-N 294.379 4.694 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2C)ccc1Cl 203442300 QRUUATUNBIRKDE-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C#CCC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 227536016 GKWCQFTXRVOGJM-YESZJQIVSA-N 277.496 4.867 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(CC2CC2)C2CC2)C1 227708803 POWAONCYGHKXHZ-JZXOWHBKSA-N 288.479 4.605 30 10 CJEE CCC(=CC(=O)Cc1nc(-c2ccccc2)cs1)CC 232874061 XZDNXQGGXNKIJS-UHFFFAOYSA-N 285.412 4.668 30 10 CJEE CCCCCCCCCCCC[C@H]1COCCC1=O 232917148 ZWJXBCQLVOZPCX-INIZCTEOSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCO[C@@H]1C 232937663 FEPGRYHNXLLZFG-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(F)c(C#N)c1 232966793 NEEXAAQSLPNTPP-ZDUSSCGKSA-N 263.356 4.573 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1cccc(F)c1 232982083 PPJYVUKRBRCKIW-QGZVFWFLSA-N 280.431 4.706 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1[C@H](C)CC 250823011 MFQARNYAZIYLRT-MKXGPGLRSA-N 296.543 4.691 30 10 CJEE Cc1cc([N+](=O)[O-])ccc1N=Cc1cccc2ccccc12 252618384 LFSDVIXIRVTIEW-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE Fc1ccc(C=Nc2ccccc2C(F)(F)F)cc1 254517728 NNLHKIXDZMMTFE-UHFFFAOYSA-N 267.225 4.595 30 10 CJEE N#CC[C@@H](c1cc(Cl)c(F)c(Cl)c1)C1CC1 260880169 SKLCRTPIRKTCAX-SECBINFHSA-N 258.123 4.540 30 10 CJEE CCCCCCCc1nc2c(F)c(Cl)ccc2[nH]1 306046740 RFBBWKHGFCTDEV-UHFFFAOYSA-N 268.763 4.868 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2ccc(Cl)cc21 310894449 VHPSLQSMYABZJP-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE CC(C)c1ccccc1Nc1nc(Cl)c(C#N)s1 310986711 FXOTTXWAGWWNFH-UHFFFAOYSA-N 277.780 4.535 30 10 CJEE Cc1cc(N)c(Cl)cc1Oc1ccc(C#N)cc1Cl 311549862 VWRDYRLKBOYWFG-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE N#CC1(c2ccc(C(F)F)cn2)CCCCCCC1 311622122 MHVMRVYYNUIFAL-UHFFFAOYSA-N 264.319 4.525 30 10 CJEE CCCCCCC[C@H]1CC[C@](C)(CNCC(C)C)O1 312072131 OGLIFRIFYDIGFS-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CC(C)C[C@H](C)[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 312169729 ZQKNWWHVOUTVQC-UERKLNTKSA-N 279.468 4.776 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2Cc3ccccc32)C1 316918531 WOPIXRFUQFNQCQ-UWWQBHOKSA-N 256.389 4.502 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCC(F)(F)C2)CC1 317621327 UMAXESIOGQDCRO-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(Br)s1 379828594 YKWWMKAAGPHAOM-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE CC(C)NC[C@@H]1CCC(C)(C)C[C@@H]1CC#CC(C)(C)C 379883330 UFNWROXWVUHZFO-IRXDYDNUSA-N 277.496 4.867 30 10 CJEE Cc1ccc(SCCCB2OC(C)(C)C(C)(C)O2)cc1 382028651 CHMJELVXEHGCHX-UHFFFAOYSA-N 292.253 4.569 30 10 CJEE C=CCCCCCCN[C@H](CC)c1ccc(O)cc1 382243722 YMMASXBQSNPJEC-QGZVFWFLSA-N 261.409 4.569 30 10 CJEE C=CCCCCCCN=c1cc(C)c2ccccc2[nH]1 383557393 IYNWSUCSVVGVDD-UHFFFAOYSA-N 268.404 4.514 30 10 CJEE C=CCOc1ccc(CN[C@H](C)CCC(C)(C)C)cc1 386159067 VUNOXDQYVGYGLD-OAHLLOKOSA-N 275.436 4.556 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cccc2ccsc12 386484155 XGUNJJJBUWPHGN-HNNXBMFYSA-N 271.429 4.601 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)COCc1ccccc1 390594659 SBYYOXMUCYCAQH-MSOLQXFVSA-N 291.479 4.930 30 10 CJEE 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SONMEDPRAYDUDE-CZUORRHYSA-N 275.427 4.823 30 10 CJEE CCCCCCCCCC[C@@H](N)CC1=CCCOC1 2353394737 RBRNXTVSMCZVDJ-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@@](C)(CC1[C@@H](C)[C@@H]1C)OCCCN 2360069003 RMKGNSQCLFHDJG-BQFCYCMXSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1[C@@H]2CCOC[C@@H]21 2360175233 BVBFQJVXHHYQQC-XWTMOSNGSA-N 282.468 4.551 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 36926912 FOBNSMLHBLJWGP-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1c(F)cccc1F 36973019 WEUAOKLKJWYNBY-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1ccccc1Cl 37089225 IFMFQJSEIHXKRH-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCc1ccc([C@H](C#N)Nc2ccccc2Cl)cc1 37938153 OHOQDWBOXGUKAR-INIZCTEOSA-N 270.763 4.579 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc3ccc(C)nc23)c1 51598446 NKSPLGVNYGHJGF-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(C)cc1 59526303 JDOREXBREWWPML-UHFFFAOYSA-N 262.393 4.555 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(Cl)s2)cc1C 61682046 NMNRBOZFZXETRK-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE C=C(C)Cn1c([C@@H](N)CCC)nc2cc(C(C)C)ccc21 74296998 KGOZSMLRUDGAMV-HNNXBMFYSA-N 285.435 4.536 30 10 CJEE CCCc1nc(-c2ccccc2Cl)sc1CS 82427053 MDVFZDWYDVJAII-UHFFFAOYSA-N 283.849 4.846 30 10 CJEE CC1(C)CCC(C#N)(Cc2cccc(Cl)c2)CC1 87940184 HXNMYEJHDBKLNI-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE CCCCCCCCCOC[C@@H]1CCCC[C@@H]1CN 91366957 JBSXWYXWFBBAOA-SJORKVTESA-N 269.473 4.519 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC(C)(C)OC1(C)C 94423864 OUQGCEGUEKVZRQ-OAHLLOKOSA-N 291.460 4.723 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1C1CC1 94527871 ZKKCLAGRRJTKTK-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE SCC1(CN2CCC3(CCCC3)CC2)CCCCC1 94579505 YXQLWXVOPIVGFI-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE CCc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1 96887837 WHKDNESDLAAQQJ-NTEUORMPSA-N 294.394 4.932 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc2cc(F)ccc2s1 97283702 SRNPDXZKROWBHY-OAHLLOKOSA-N 263.381 4.657 30 10 CJEE CC[C@H]1CCCCN1CCCCCCCCCS 97799207 YUJOCQOVYRHYEO-INIZCTEOSA-N 271.514 4.911 30 10 CJEE CCOc1ccccc1N/C(C)=C\C(=O)c1ccc(C)cc1 104727012 IOFQMIZHESWOFV-SQFISAMPSA-N 295.382 4.592 30 10 CJEE C=C[C@H](C)Cc1cc(OCCC)c(OCCC)cc1F 107489417 YFGQBZIUKSNEPS-ZDUSSCGKSA-N 280.383 4.768 30 10 CJEE CCCCCCCCCCOC(=O)c1cccc(N)c1 109895248 MVBKUVUKENHCCB-UHFFFAOYSA-N 277.408 4.566 30 10 CJEE CCC1CCC(CNc2cccc(Cl)c2C#N)CC1 110449784 IKCUEWFWMQETET-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE N#Cc1ccc(NCc2cccc3ccccc23)c(Cl)c1 110521521 VMVPMOQUSUKMDO-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CSc1ccccc1Oc1ccc(C#N)c(Cl)c1 110981825 VLPGOBARZSOFJX-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCCCN[C@H](C)c1nc(C)cs1 113370169 YRWDCEOLNSRXGR-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCC[C@@H](N)C(C)(C)c1ccc(F)cc1 113605559 ZIGFNKMUSLSTGI-MRXNPFEDSA-N 265.416 4.791 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 115858378 ATQRINOUNJYHQC-MRXNPFEDSA-N 292.423 4.605 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccccc1CC 122257189 OMHKRGCDKTUGSR-GOSISDBHSA-N 276.468 4.894 30 10 CJEE CCCCCCCCOc1c(F)cc(CNCC)cc1F 125007039 JVXHHWXXXOQCGL-UHFFFAOYSA-N 299.405 4.814 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccccc1C 125578002 NMOFTELYBYOLGQ-QGZVFWFLSA-N 262.441 4.640 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H](N)C1CC1 125642735 FJSRWIOZZNCSIQ-GOSISDBHSA-N 281.484 4.994 30 10 CJEE N#Cc1ccc(Cl)c(NCc2c(F)cccc2Cl)c1 125651131 ZVLQFQXKOOWTLT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 125818102 OBPIWDCRZWQUDH-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H](C)OCC 126519345 ZUNMMWULGGWQET-DLBZAZTESA-N 286.504 4.554 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@]1(C)CCCCO1 127064075 OGAHJLMVNOCKHP-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CN(Cc1c(Cl)cccc1Cl)c1ccccc1C#N 127542923 YHBYQOIESTYPAO-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCOc1ncc(Br)cc1C 130126514 SQEXEXGYYLYENE-UHFFFAOYSA-N 286.213 4.502 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H](CC)CCCC 130335450 RXQFIMWVFKDGNQ-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(Cl)c(Cl)c1 133213656 MJDUFMKERJXOGH-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C[C@H]1CCC[C@@H](Sc2c(F)cc(C#N)cc2F)C1 134037178 JSMILNRHDTWYDZ-GXSJLCMTSA-N 267.344 4.507 30 10 CJEE CCCCCCCCCC[C@@H](O)CCCOCC 135560260 CWVYQPIWXFBAEO-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCOc1c(F)cccc1CNC(C)C 135860964 MRZZGHIBWRYQHE-UHFFFAOYSA-N 281.415 4.673 30 10 CJEE CCCCCCCCC[C@@H](CCSC)NCC 139476565 OVPJHRCZLKMDJQ-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@H](CCc1ccncc1)NCC 140398909 GQJDOJNNYHASMD-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)cccc1Cl 158092991 RFFSWQMNZPEOOT-CYBMUJFWSA-N 257.780 4.839 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1OCC[C@H]1C 158995165 GAJBQXBKSABGBM-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE N#C[C@H](C(=O)c1cc2ccc(F)cc2s1)c1ccccc1 161166180 IOZCBXVUZZKNQQ-AWEZNQCLSA-N 295.338 4.530 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1cc(Cl)ccc1C#N 163206640 NGMQLBPUANSEFQ-YLQAJVPDSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCCOc1ccc(C=O)o1 163626648 HCCFYKXVAXXERA-UHFFFAOYSA-N 252.354 4.612 30 10 CJEE N#Cc1cc(NCc2ccc(F)c(Cl)c2)ccc1Cl 163652826 VXZJQLSLDQSTPX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1NC 164009163 AAMWBYMDPLNQER-LZQZEXGQSA-N 289.463 4.810 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@@H]1CCOC1 166152510 NIRAQOBASIGJIN-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](O)(CC)c2cccc(F)c2)C1 167007635 KZDCYQUOVQEPTR-FHLIZLRMSA-N 289.394 4.533 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1cnn(CC)c1 167796863 WQDJUEIVFIURHD-GOSISDBHSA-N 294.483 4.727 30 10 CJEE C=CCCC[C@H](NC)c1cc(C)c(Br)c(C)c1 228385268 XMRUXNQURMLSHS-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(CC)cn1 228716098 MTPMHYCGZMYBON-QGZVFWFLSA-N 276.468 4.655 30 10 CJEE CC(C)C[C@H]1CCC[C@](C#N)(Nc2ccccc2)C1 230779358 XYTQPWMEPUNDKV-WBVHZDCISA-N 256.393 4.597 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccoc1CC 232948143 DVIVJCAAZXTCTL-MRXNPFEDSA-N 280.456 4.877 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@@H]1CNC(C)(C)C 232950202 UBRGEOXMETXXIT-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)C(C)(C)CC 232970172 KOEIOFJPNRFPEI-MRXNPFEDSA-N 270.505 4.575 30 10 CJEE Cc1ccc(CCC(=O)C2=CCCCCCC2)cc1 235910965 ZGOODXRCVDNGJN-UHFFFAOYSA-N 256.389 4.777 30 10 CJEE C=C(C#CCCCC)N(CCCC)C(=O)OC(C)(C)C 238214169 QKBGSLJMKZJFKP-UHFFFAOYSA-N 279.424 4.731 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2CC[C@H]1C2 250829630 PWQLDPNKHGJFLW-QAETUUGQSA-N 251.458 4.761 30 10 CJEE c1ccc2c(c1)CCCC2=NN=C1CCCc2ccccc21 252594095 BPJMWTWHKFKMMM-UHFFFAOYSA-N 288.394 4.553 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NC 252902927 NNTWLMNTIZROCK-QAETUUGQSA-N 251.458 4.761 30 10 CJEE Cc1ccc([C@@H](CC#N)C2CC2)cc1OCc1ccccc1 260564364 FFUBJUWBYOMXHK-IBGZPJMESA-N 291.394 4.981 30 10 CJEE CCOc1cc(Cl)c(C2=CCCCC2=O)cc1Cl 302559889 MBTJKNSFPRMOEF-UHFFFAOYSA-N 285.170 4.529 30 10 CJEE C=C([C@H](NCC)c1cc(Cl)cc(Cl)c1)C(F)(F)F 311077087 ASIPEBYPHFWITM-NSHDSACASA-N 298.135 4.763 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](C#N)Nc1cccc(Cl)c1 311742390 SXUPPEHATWIBRJ-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(C)n(C)n1 312174742 QDRDXJNFSMVWPU-INIZCTEOSA-N 279.472 4.520 30 10 CJEE N#C[C@@]1(CCC2CCCCC2)CCOc2ccccc21 312201976 HAEYXRNEZSGCJF-GOSISDBHSA-N 269.388 4.591 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H]1CC2CCC1CC2 313205200 OPFGEADDLYCTFL-HIEASXQVSA-N 275.480 4.621 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2c(F)cccc2Cl)C1 316642055 BBLXSCBOCQQPDO-LRDDRELGSA-N 282.786 4.807 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)C[C@@H](C)C1CCCCC1 316858017 VDNVLJQAOKZESL-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCCC23CCCC3)cc1 320668942 KXKGGYZLZDBGIY-LJQANCHMSA-N 299.458 4.844 30 10 CJEE CCCCCCCCCCCCn1cc(C)c(CN)n1 383853531 WQAVEHZBAVWDSK-UHFFFAOYSA-N 279.472 4.571 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)s1 384818148 DPRYCKNUIYQMEV-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CC(C)Oc1ccc2c(ccn2CCCCCC#N)c1 395397993 ZICWKFHCFQBVMG-UHFFFAOYSA-N 270.376 4.512 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](CCC)CC[C@H]1NCC 403819936 AAZSZHMUSVYDGG-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CCC[C@H](CC)C1 686700975 IKCGFZVAOBSOAL-PKOBYXMFSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1OC 690012248 ATDSOMJULTWFEZ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE Cc1c(Cl)cc(NC[C@@H](C#N)C2CCC2)cc1Cl 690285586 FSHVIKRFWVMJAL-LLVKDONJSA-N 283.202 4.654 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1F 692203602 HHIIVSLDEVENAC-WFASDCNBSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CCC(C)(C)C 692256062 WMXZXICVXYFBJU-BZUAXINKSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CCCC[C@H]1N 695531597 ODEJDDYZKYPCGZ-SJLPKXTDSA-N 281.484 4.994 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)C1CC(C)(C)CC(C)(C)C1 695796967 DSPMLVDXCLMPDY-AWEZNQCLSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@H]1C1CC1 699154418 XRKJCDRREOOGCH-BBWFWOEESA-N 252.442 4.924 30 10 CJEE C=C1C[C@H]2CC(NCC3(CC)CCCC3)C[C@@H](C1)C2 700365218 IGBZHKXKNVMSFB-SJPCQFCGSA-N 261.453 4.681 30 10 CJEE Clc1ccc(Br)cc1C#Cc1ccccc1 705949752 PFVZXHGUEBCYRI-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE CC[C@@H](CC1CC1)/N=C1/NC2(CCCCCCC2)CS1 713202956 ORVKWTSUBRAQGI-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CCSc1cccc(NCC[C@@H]2CC[C@H]3C[C@H]23)c1C#N 717029339 AGUHHNGJYZVEAP-MELADBBJSA-N 286.444 4.518 30 10 CJEE Cc1cccc(N[C@]2(C#N)CC[C@H]3CCCC[C@H]3C2)c1 723612026 ZMBADJZNKHOMHH-SOLBZPMBSA-N 268.404 4.660 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(SC)cc2)CC1 724545155 OYWCMZWZDSBIIR-KRWDZBQOSA-N 275.461 4.806 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 1126848813 KFPCORPVAOSGDP-AEFFLSMTSA-N 299.458 4.631 30 10 CJEE C=CCCC1(CNC(=O)c2sc(C)cc2C)CCCC1 1131111619 SACQCCSRBLBBLQ-UHFFFAOYSA-N 291.460 4.621 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc2cccc(OC)c2o1 1179142337 FHIKZXQYUYZRRB-YOEHRIQHSA-N 299.414 4.666 30 10 CJEE Cc1ccc(-c2cccc(F)c2C#N)cc1C(F)(F)F 1242673239 VHUPPBBIWYTZNK-UHFFFAOYSA-N 279.236 4.692 30 10 CJEE C=CCC1(C(=O)NCCCCCCCC)CCCC1 1266263832 YRFXRBFEGIAACN-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccnn2C(CC)CC)c1 1289566960 KKAHANCPSVKYTM-UHFFFAOYSA-N 297.402 4.530 30 10 CJEE C#CCCCCCCN[C@@H](CC1CC1)c1ccccc1 1307634462 CIXHRKNJTZRYQH-IBGZPJMESA-N 269.432 4.701 30 10 CJEE C=C[C@H]1CCCCN1[C@@H]1C[C@H](C)Sc2sccc21 1308726663 KJXRXEYJZKKKEJ-SGMGOOAPSA-N 279.474 4.714 30 10 CJEE C=C1CCC(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)CC1 1360209321 PYYAWEACRNRDCU-GJYPPUQNSA-N 297.442 4.526 30 10 CJEE C=C(CC(C)C)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 1444749929 KRVHPAJHSGENHL-MOPGFXCFSA-N 299.458 4.692 30 10 CJEE C=CC[C@H](CC)NC(=O)c1ccccc1Nc1ccccc1 1448564982 MRPWEBSXQYPVED-HNNXBMFYSA-N 294.398 4.515 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(C)cc2ccccc12 1449842137 LCXHNLGWHSWKOQ-UHFFFAOYSA-N 267.372 4.689 30 10 CJEE C=CCC1(CNc2cc(C)sc2[N+](=O)[O-])CCCC1 1472782071 BJEQOVXQFWPMKE-UHFFFAOYSA-N 280.393 4.513 30 10 CJEE Cc1ccc(C(C)(C)C)cc1S[C@@H](C#N)C1CC1 1472921496 AHVHDBVFVDSDHB-HNNXBMFYSA-N 259.418 4.687 30 10 CJEE C=CCN(CCC1CCCCCC1)Cc1cccc(C#N)c1 1473131441 AUFKAXYIRQZKOV-UHFFFAOYSA-N 296.458 4.907 30 10 CJEE 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CN(CCCCCCCS)[C@@H]1CCCC2(CC2)C1 2263210928 INLZQNAFDIELRU-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE C=CCCCSC[C@H](NCC)c1ccc(CC)cc1 2271486133 UKPUQRFRTKZCPF-KRWDZBQOSA-N 277.477 4.599 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(OCCC)cc1 2271785272 LWPYMWFOOXHFBL-KRWDZBQOSA-N 261.409 4.612 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)CCCOCC1 2272283765 HOOXLEPVPDFDFS-DLBZAZTESA-N 265.441 4.939 30 10 CJEE C=C[C@H](C)CCN[C@@H]1c2ccccc2CCC1(C)C 2273233265 QDMWBLHUFNLNAW-WMLDXEAASA-N 257.421 4.502 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@H]1CC2 2273420734 JTKPNRYNRCOGSD-OWSLCNJRSA-N 261.453 4.681 30 10 CJEE N#Cc1cc(NC[C@]23CCCC[C@@H]2CC3)ccc1Cl 2273427394 PSBDQSHAORGAFX-CZUORRHYSA-N 274.795 4.594 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cccc(C(C)(C)C)c1 2274512736 ZYCOKMTWSJPJIL-OAHLLOKOSA-N 259.437 4.819 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccsc1C 2276214218 UXUXSMZMDJDJSU-MRXNPFEDSA-N 281.465 4.600 30 10 CJEE CCCCCCCC[C@@H](CC1=CCCC1)OCCN 2276220425 LQEWKXUSSPQVIA-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(C(F)(F)F)s2)CC1 2277688670 IQCCVOZEIPLSJF-NSHDSACASA-N 289.366 4.903 30 10 CJEE CC[C@H]1CC=C(C(=O)c2nc3ccccc3s2)CC1 2277979476 DXERILYRSROGBB-NSHDSACASA-N 271.385 4.616 30 10 CJEE CCCCCCCCC[C@](C)(N)CC[C@@H]1CCOC1 2278169940 WEPFWJOJJLBLJL-SJORKVTESA-N 269.473 4.661 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1nc(C(F)(F)F)cs1 2278600842 GQLOSFUTNBFFEQ-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE C=CC[C@@H]1CCCCN(CC2(C)CC(C(F)(F)F)C2)C1 2279458574 QXWAJENOOSOCDI-WLYUNCDWSA-N 289.385 4.643 30 10 CJEE CC1(C)C[C@](C=O)(CC[C@H]2CCCCC23CC3)CCO1 2279648217 HFYYAOLNPWUMMW-WBVHZDCISA-N 278.436 4.511 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H]1CCCC12CC2 2281329250 ZZOSMDGKENPOBG-DLBZAZTESA-N 275.480 4.765 30 10 CJEE Cc1ccc(C)c([C@](C)(O)CC=CC#CC(C)(C)C)c1 2284070730 JOISXKQKUAWMOM-LJQANCHMSA-N 270.416 4.507 30 10 CJEE CCNC[C@H]1CCCCC[C@H]1CC=CC#CC(C)(C)C 2284072410 DXAKUJDAVUTVFV-ZWKOTPCHSA-N 275.480 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)C1CCC(C)(C)CC1 2284104353 AUBULMUTAFAHES-IBGZPJMESA-N 275.480 4.916 30 10 CJEE Cc1cc(C(=O)CC=CC#CC(C)(C)C)cc(C)c1F 2284105393 NLDZFEXRHCBYOT-UHFFFAOYSA-N 272.363 4.621 30 10 CJEE C=C(C)CCCC[C@H](O)C1(c2ccccc2)CCCC1 2287392236 LNXJYBLZRGATPY-SFHVURJKSA-N 272.432 4.996 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(F)cc1C(F)(F)F 2287407986 CRCGLNZOIZSUBA-CQSZACIVSA-N 289.316 4.981 30 10 CJEE CCCCCCCCCCN(C[C@@H](C)O)CC(C)(C)C 2288054010 HZEPULXNNAWWBZ-QGZVFWFLSA-N 285.516 4.856 30 10 CJEE CC[C@@](C)(CCC=C(C)C)Oc1ccnc(C#N)c1C 2288384386 CSBUDISJKLUYOV-KRWDZBQOSA-N 272.392 4.556 30 10 CJEE CC(C)(C)c1cc(Oc2cc(Cl)ccc2C#N)ccn1 2289221397 GCMJJLFKTYGFOQ-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(C)CC(C)(C)C1 2289679700 AQKBZCXGGOHLRS-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1ccc(C(C)(C)C)s1 2289849962 PHBYQGNGWAEQSC-OAHLLOKOSA-N 289.488 4.890 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](NCC#CC2CCCCC2)C1 2290326882 HQZCXNAGLXIYER-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)C1CCCC1 2291643866 NMUQWVXZOWCMNE-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C([C@@H](CCCCCCC)OCCC(=O)O)C(C)(C)C 2292246841 CXZDMJBUIPPGEM-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)C[C@H](C)[C@H]1C 2292648741 AVPWCGPQJIDHMQ-KSZLIROESA-N 281.484 4.683 30 10 CJEE C#CC(C)(C)C[C@@H](CCCCCCCC)OCCCN 2293569856 OCPNHXSQTUKJOJ-QGZVFWFLSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CC(C)=C[C@H](C)C1 2293667279 NUAIAVLDUZFDIQ-JQHSSLGASA-N 281.484 4.683 30 10 CJEE O=C(C=Cc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 2293689903 UQMDEGUGKZYRHP-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE Cc1cccc(C(=O)C=Cc2c(F)cccc2Cl)c1 2294300357 OZBXWHOJJMAPHC-UHFFFAOYSA-N 274.722 4.684 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CCC[C@@H]1F 2294322587 VRASBYMIKOEIMG-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@@H]1CCCC[C@@H]1CC 2294401452 ABTVTYMWAXELAG-KSZLIROESA-N 281.484 4.683 30 10 CJEE C#Cc1ccc2c(ccn2CC2CCC(C)(C)CC2)c1 2295173917 RLZUCPDMLBNNDC-UHFFFAOYSA-N 265.400 4.839 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)c1cccs1 2295687937 ZFXPHFDIOHJJHZ-HOTGVXAUSA-N 297.508 4.900 30 10 CJEE CCCCCCSCC[C@H]1CCC[C@]1(C#N)NCCC 2295761765 QNVDGWTWPHRTSN-IAGOWNOFSA-N 296.524 4.752 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C)c(Br)c1 2304120575 TYWYVURFMGGYJV-LSDHHAIUSA-N 297.236 4.783 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2307613066 GZGLWWMGCWPDIU-GXSJLCMTSA-N 272.219 4.917 30 10 CJEE C=CC[C@@H](C)Sc1cc(CNC2CCC2)sc1C 2313700927 DSRKEWBZINDMHI-LLVKDONJSA-N 281.490 4.755 30 10 CJEE CCc1ccc(C#N)c(SCC[C@@H](C)C(F)F)c1 2316611680 AVRBAPIKWFXBQT-SNVBAGLBSA-N 269.360 4.504 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(SCC)cc1 2316735500 CFHZQJMMDMCXOT-MRXNPFEDSA-N 261.434 4.567 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cccc(F)c1Cl 2316739482 RZVIKTUDXWRCSG-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1(C(C)(C)C)CCC1 2321139904 CPHKLWSIKKFBEB-GDBMZVCRSA-N 251.458 4.913 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CCCC[C@@H]2C[C@H]21 2327165514 KIYQKJUKXOUDBR-KQTLUZQSSA-N 270.482 4.564 30 10 CJEE C=C[C@@H](C)C[C@@H](NC)c1cccc(SC(C)C)c1 2327778441 PNRRWCZPWULVDP-CZUORRHYSA-N 263.450 4.660 30 10 CJEE CCCCCCC[C@](C)(SCc1ccco1)C(=O)O 2328551537 KRACVTOLWNJMPA-HNNXBMFYSA-N 284.421 4.717 30 10 CJEE CCCCCCC[C@H](N)c1cc(CC)ccc1OC 2336688432 DFHRDQAKQRVDCE-INIZCTEOSA-N 263.425 4.618 30 10 CJEE C[C@H](CCS)CCOc1ccc(CC(F)(F)F)cc1 2336813311 OYBHEVBOEIDGOE-NSHDSACASA-N 292.366 4.516 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1ccccc1C(F)(F)F 2337091647 DSKGKCWXLLCHTP-WCQYABFASA-N 269.310 4.862 30 10 CJEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cccc(C)c21 2337152084 WSQHUJNUEYWPLG-JSGCOSHPSA-N 272.417 4.551 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(CCCC(C)C)OCCCN 2337642090 ABIZYROZSDLFHM-QGZVFWFLSA-N 269.473 4.539 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(CC(C)C)cc1 2338690829 LFZCDGITGJEJFI-SFHVURJKSA-N 258.405 4.687 30 10 CJEE C=CCCCCCCN(C)CCc1ccccc1Cl 2338810973 AYNVTBSVMVUXSN-UHFFFAOYSA-N 279.855 4.951 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(F)cc1C1CC1 2339211155 OPFTUWSILIDYIE-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE C=C1CC([C@H](NCC)c2cc(C3CC3)ccc2Cl)C1 2339276014 WDNNOUKCGZNBGC-KRWDZBQOSA-N 275.823 4.834 30 10 CJEE C[C@H]1CC[C@](C=O)(CC(C)(C)Cc2ccccc2)C1 2339405288 WIYHBTLXRXWQKH-MAUKXSAKSA-N 258.405 4.651 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2339563385 BUUMSXBCLSGTHO-NHYWBVRUSA-N 296.241 4.694 30 10 CJEE CCC[C@@H](OC[C@H](CS)C1CCC1)c1ccccc1 2340466699 MGWMCDMFVKPLJW-IAGOWNOFSA-N 278.461 4.891 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1ccc(C#N)c(Cl)c1 2343117934 GTBNIPPJLMVRFI-JSGCOSHPSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc2ccccc2o1 2344376965 BWVXKLGQSZBLHV-IAGOWNOFSA-N 257.377 4.686 30 10 CJEE C#CCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 2352582348 HHTGPUMHXOPLHZ-UHFFFAOYSA-N 298.213 4.906 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C)C[C@H]1CCOC1 2353012804 LMJUVJLWWZXPBQ-ZACQAIPSSA-N 270.457 4.551 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2353833673 GVANGSWUECMPSA-TWMKSMIVSA-N 282.493 4.588 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@@H]1C)NCC 2357154812 KCAYSOOCOAVGHF-WNRNVDISSA-N 283.500 4.512 30 10 CJEE C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 222608 FAEWLOPIQSPBBJ-NTOSSWPYSA-N 294.181 4.879 30 10 CJEE Clc1cc(/C=N/CCc2ccccc2)nc2ccccc12 2066689 FWYBFXBWVISMCR-DEDYPNTBSA-N 294.785 4.550 30 10 CJEE C[C@@H](CC(C)(C)c1ccccc1)Nc1ccc(C#N)cc1 37212099 NASWGHJSWIXFJT-HNNXBMFYSA-N 278.399 4.727 30 10 CJEE CC(C)[C@H](C#N)c1ccc(-c2cccc(F)c2)cc1 41323385 APZLABGOEUCZQG-KRWDZBQOSA-N 253.320 4.756 30 10 CJEE CCCN[C@](C)(C#N)CCCCSC1CCCCC1 45366162 PKXLYAFGKWGCHC-INIZCTEOSA-N 282.497 4.504 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 68603218 KEWICRSQANUWHK-FZMZJTMJSA-N 296.336 4.958 30 10 CJEE Cc1ccc2c(C#N)c(Cl)n(Cc3ccc(F)cc3)c2c1 71466414 JGZWXRUGMREEDJ-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2cccc(F)c2)CC1 86949169 QDDNZFUOJVWYNE-PBHICJAKSA-N 274.383 4.736 30 10 CJEE N#CC1(C2(O)CCC(c3ccccc3)CC2)CCCCC1 91875818 SFLDALQIMSLAGR-UHFFFAOYSA-N 283.415 4.549 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)cs2)CC1 93097272 ZODFFVUCHCUIHK-GFCCVEGCSA-N 283.824 4.545 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1ccccc1C 94581018 BHYDXWRPARVKAZ-UHFFFAOYSA-N 293.520 4.943 30 10 CJEE CCCC[C@@H](CC)COCC(CC)(CC)CS 94584031 OEMFETSPYZCOLN-CQSZACIVSA-N 260.487 4.956 30 10 CJEE COc1ccc(/C=C/C(=O)/C=C\c2ccc(Cl)cc2)cc1 103044209 NURTVDZVDIFXDI-WIZYTBDYSA-N 298.769 4.644 30 10 CJEE CCCCCCCCCC[C@@H](N)COc1ccccc1 109741807 GGXAPWSQLFMJKO-QGZVFWFLSA-N 277.452 4.924 30 10 CJEE CCCCCCCCCCCCC[C@@H](O)COC 109997238 SYXNAAAUZAOEOL-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)NC1CCCCCC1 110029399 PTEPYQHVVHIEBK-BPQIPLTHSA-N 276.468 4.653 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCN(CC)CC1 115654718 XPANMNQBESTOTL-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCCn1c(CNCCC)cnc1C 115674055 NODWEDHNIAVEGJ-UHFFFAOYSA-N 293.499 4.832 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(CC)N1CCCC1 118159890 QTSRGOOSPBGQKL-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(CC)s1 122362169 WCMGAXLSSABSDV-AWEZNQCLSA-N 268.470 4.566 30 10 CJEE CCCCCCCC[C@@H](NCCC)C1=COCCC1 122594625 QQBFBBJKNONNOL-QGZVFWFLSA-N 267.457 4.800 30 10 CJEE CCCCCCCCCCCC(=O)c1cnnn1CCC 123167632 JTCOJIOZUQGQHP-UHFFFAOYSA-N 293.455 4.792 30 10 CJEE CCCCCCCCCCNc1cccc(C#N)n1 129333672 JOFAYHSKSGQLBR-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 135243286 PLARCKUJKDNGHH-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C=C(CNc1cccc(O[C@H](C)CC)c1)c1ccccc1 148033382 RPMJIHVMPADGDS-MRXNPFEDSA-N 281.399 4.989 30 10 CJEE CCCCCCCC[C@@H](O)c1cncc(OC(C)C)c1 157226433 GWSPTUQASLOPIY-QGZVFWFLSA-N 279.424 4.653 30 10 CJEE CCCCCCCCC(=O)CC1(NC)CCCCC1 157974332 DJXHWFIURXCXCR-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)CC2CCCCCC2)cc1C 162030310 RSMMUFIREHKRRL-GOSISDBHSA-N 283.415 4.840 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)c(Cl)c1)C1CC1 162267438 HIHVVVVVHUIEDM-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE N#Cc1cc(NCCC2=CCCCC2)ccc1C(F)(F)F 163948451 FMAQREYKNFJJJT-UHFFFAOYSA-N 294.320 4.879 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 164506383 DIRZFEBUQFQSAZ-DGCLKSJQSA-N 297.320 4.925 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(F)cc1Cl 164573309 SQUKDQJXJCKCJE-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 167449774 YTIBEVQBNVYXMI-BXKDBHETSA-N 284.186 4.606 30 10 CJEE CCCCCCCOc1c(C)cccc1CNC1CC1 169168947 NQKXKSOPZDEVMO-UHFFFAOYSA-N 275.436 4.596 30 10 CJEE Cc1cc(C(F)(F)F)ccc1C1=CC(=O)CC(C)(C)C1 226563807 HBVNTKVSXLSTGV-UHFFFAOYSA-N 282.305 4.786 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(C)c2)C1 226731492 WRKDLELFDUSIBK-FMKPAKJESA-N 259.418 4.806 30 10 CJEE CCCCCCCCCCCCN(CCO)C1CCC1 228520935 CTVVPSDZMDSOIW-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCCCCCC[C@H]1C[C@H](NC)c2cc(F)ccc2O1 229146829 KCNLVYAZPOSNNS-HOCLYGCPSA-N 279.399 4.598 30 10 CJEE C=C(C)[C@H](NCCC)c1cc2c(s1)CCCCC2 229749088 DGKPOLQYTMNQKF-INIZCTEOSA-N 263.450 4.634 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncccc1Cl 232923863 MIHLKZVLLOZUDE-CQSZACIVSA-N 268.832 4.876 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cn(C)cn1 232948136 YAXQXPGEFZEVDN-QGZVFWFLSA-N 280.456 4.765 30 10 CJEE C#CCCC[C@@H](NCCC)c1scc(C)c1Cl 233162580 YPVHAJSLGDHSND-GFCCVEGCSA-N 269.841 4.554 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)c1ccc(OCC(C)C)cc1 233284921 FQWZXBGDRTUDRD-RHSMWYFYSA-N 259.393 4.765 30 10 CJEE C=CCCCCC[C@@H](CC1CCSCC1)NCC 233535450 ZEQVWEMSPQDAAZ-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=CCCCCC[C@H](N)c1ccccc1Br 236303411 GHWCCVSBQQNNBS-AWEZNQCLSA-N 282.225 4.585 30 10 CJEE C=C(CC)C[C@H](NC)[C@@H](c1ccccc1)[C@H](C)CC 253041571 LLSUJHAXNRQTGC-BPQIPLTHSA-N 259.437 4.761 30 10 CJEE N#CC1(C(=O)c2ccc(C3CCCCC3)cc2)CCC1 259292376 VTNGZCVNSUJYPW-UHFFFAOYSA-N 267.372 4.611 30 10 CJEE CC[C@H](C#N)c1sc(-c2sccc2C)nc1C 259370790 REHSUDUSTHPJPR-SNVBAGLBSA-N 262.403 4.506 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(C)c1 308056319 PJSSWIORPPTDPI-IAGOWNOFSA-N 271.404 4.634 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 308158321 UVOFOYXRCYIKNY-IAGOWNOFSA-N 270.420 4.884 30 10 CJEE CCCCCCC[C@@H](NCC)C(C1CC1)C1CC1 310633874 PICQJSPRRLMDTC-MRXNPFEDSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@H](C(F)(F)F)C1 310713009 MCHSVZRRNTYGMR-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE CCCCCCCCCC(=O)C1(NC)CCCCC1 311644146 CQHUZZWOPKGMJT-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(C)ns1 311740940 GNXVDLWAWQXEMX-ZDUSSCGKSA-N 254.443 4.592 30 10 CJEE CCCCCCCCNc1cc(C)c([N+](=O)[O-])cc1F 312669356 BKYOKXLBWVPLLR-UHFFFAOYSA-N 282.359 4.815 30 10 CJEE CC(C)CNCC1(CC#CC(C)(C)C)CCC(C)CC1 320029119 RYPNTXIPSONCMG-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE C=C([C@@H](O)CCCCCCCCC)C(F)(F)F 383429765 BPUJEWSZJPOUOS-LBPRGKRZSA-N 252.320 4.607 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc2ccc(F)cc2s1 383514354 GAQLQZPJRFTEPJ-AWEZNQCLSA-N 289.419 4.741 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@@]1(C#N)CCCC[C@H]1C 384763361 AWQALTVKHJAXTJ-IAQYHMDHSA-N 292.766 4.528 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](CO)C1CCCCC1 385275577 YKTZLFLWRQUPMG-QZTJIDSGSA-N 283.500 4.643 30 10 CJEE 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CCCCCCCC[C@@H](O)C(=O)CCCCC(C)(F)F 2207445005 OAWOEMKAARGWPL-CQSZACIVSA-N 292.410 4.883 30 10 CJEE C=CCCCCCCCCO[C@@]1(CN)CCCC[C@@H]1C 2207447150 HMZBFOKNMALZDG-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC1(CC)CC1)NCC 2207448738 KQAIOYGLYCAPGP-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)CC1(C)CCCCC1 2207459915 XQBSPXRPLJSAEQ-IAGOWNOFSA-N 283.500 4.786 30 10 CJEE C=C(C)CN(CCCCC(F)F)Cc1ccccc1 2209086688 HBTUAILMHQPITL-UHFFFAOYSA-N 267.363 4.500 30 10 CJEE C=CCCCCCCCNC[C@H]1CCS[C@H](C)C1 2220081142 CHNCJGXZIUNTDP-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCC[C@](C)(O)C[C@@H](C)C(F)F 2220088575 ZJDZUDVPUFDNJY-HIFRSBDPSA-N 262.384 4.945 30 10 CJEE C=CCCCCCCCN(CC=C)CC(F)(F)F 2220095059 YGIOALSKENRGLB-UHFFFAOYSA-N 263.347 4.563 30 10 CJEE CC1(C[C@@]2(C#N)CC2(C)C)CC2(CC(F)(F)C2)C1 2222907437 XPVRQBUBVNVLNH-CQSZACIVSA-N 253.336 4.532 30 10 CJEE CCCC#C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2225571561 NVVXORJCLGZMQF-CQSZACIVSA-N 290.815 4.905 30 10 CJEE Cc1ccc(C#N)cc1NCCCCCCC1CC1 2225785928 ZLFOQOVVBWNGTC-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)C[C@@]1(C)C(F)F 2227268483 PYVBOSPZPLOGER-GJZGRUSLSA-N 274.351 4.649 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ncccc1CC 2227270246 DWGKQDNIEXKCJX-MRXNPFEDSA-N 261.409 4.594 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cccc(C)n1 2227277371 XREXBJJHQJBSDM-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE CC1(C[C@@]2(C=O)CCCCC23CC3)CC2(CCC2)C1 2228288505 OTLIYNJBZMKLMY-GOSISDBHSA-N 260.421 4.886 30 10 CJEE CCCCCCCCCO[C@@H](CN)c1sccc1C 2231008447 IXIRMOWPKHJWIV-HNNXBMFYSA-N 283.481 4.824 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](N)C1(CC)CC 2231027999 YUQCIRXYQXEBPH-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE Cc1cc(C(=O)C#Cc2cccc(Cl)c2)ccc1Cl 2231084180 FUPBDUDHZLERFO-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCC[C@@H](C)CC[C@H](N)C#Cc1ccc(Cl)cc1 2231091534 KNSGCCZZKPUGLE-PBHICJAKSA-N 277.839 4.625 30 10 CJEE C=CC[C@@H](CNC1CCC1)CC(C)(C)CC(F)(F)F 2231580163 QQHVMXGYDVCYML-GFCCVEGCSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CO[C@@H](C)C1 2231906627 RLNICDSXKCIVKB-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCC#CC[C@H](NCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233649167 KDGRFBRWVGSCLA-RDGPPVDQSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@H]1CCCC(F)(F)CC1 2233781505 IDCOIWWIDJJTMG-CABCVRRESA-N 285.422 4.620 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)ccc1COC 2233929962 HMYJGXMIVDWOSO-KRWDZBQOSA-N 281.415 4.723 30 10 CJEE C=CCCCCCCCCCOC[C@@H](CC1CC1)NC 2234693256 JTCYHXOVWPHFJJ-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCCC[C@H]1OCC 2235523053 ASFGJHWLJWMMAD-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCN1CCc2cccc(F)c2C1 2235533805 CWBGKCKJQLGZNI-UHFFFAOYSA-N 275.411 4.710 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1ccc(OC)cc1 2235769089 OQEBCSGWXRTGAO-FQEVSTJZSA-N 295.448 4.627 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC[C@@H]1C[C@H]1C)NCC 2236446135 BWGHJHOIVYHEOZ-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC[C@H]1C[C@H]1C)NCC 2236450300 TYJJQINJQKSWCT-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CC[C@@H]1C[C@H]1CC 2236501692 GKDHDADXXVZODD-ZACQAIPSSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCOC[C@H](NCCC)C1CCC1 2239438534 FHIUWEMMUFZHBI-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCOC[C@@H](NC)c1ccccc1 2239468650 ROEADPFDWWWBOR-GOSISDBHSA-N 277.452 4.714 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H]1CC[C@@H]1CNC(C)(C)C 2239487836 UPASBPGXWPSPNS-IXDOHACOSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCOCc1ccc(C#N)nc1 2239489435 IQOIERVQSCEMNC-UHFFFAOYSA-N 274.408 4.611 30 10 CJEE CCCCCCCCCO[C@@H]1CC(=O)[C@]12CCC[C@@H]2C 2239511266 TYEXGJMCXADABV-CGTJXYLNSA-N 280.452 4.901 30 10 CJEE C=CCN(CCC)c1cccc(Cl)c1CN[C@H](C)CC 2240034704 CZHBZHYDPNVOSU-CQSZACIVSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)C1CCC(C)CC1 2240639375 DXJFYQFYVFZMRC-OPQOLIRYSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1sccc1C 2240642955 RVDFTRCZYWUSTO-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE C=CCCSc1cc(C)sc1CN[C@H](C)CC 2250020140 YFDULDVUNPOXIA-LLVKDONJSA-N 269.479 4.613 30 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C=C(C)CCCC[C@H](CCCCCCC)OCCN 2276909393 DJUJNYMGHXNJPK-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C[C@@H]1CCN(CCCCCCCS)c2ccccc21 2277499374 INRKHJVERBIRII-OAHLLOKOSA-N 277.477 4.881 30 10 CJEE CCCCCCCCC[C@H](C)NCC(C)(C)CCO 2278236111 OMVZDXHAXATZOG-INIZCTEOSA-N 271.489 4.514 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)[C@@H](C)O 2278241593 FBJFKTUGHCXNLU-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE CCCCCC#CC[S@](=N)(=O)C[C@@H](CC)CCCC 2278347988 MHUFQNOESFGDKV-LPHOPBHVSA-N 285.497 4.833 30 10 CJEE CC(C)(CNc1c(F)cccc1C#N)C1CCCCC1 2280476339 MSQZDHMRPILVBA-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE CCCCCCCCCC(=O)c1ncn2ccccc12 2280560680 YWMCVGGHAYKJJT-UHFFFAOYSA-N 272.392 4.658 30 10 CJEE CCCC[C@@](C#N)(CC)c1nc2ccc(OC)cc2s1 2283100369 FCBFSEPRVRTZAN-MRXNPFEDSA-N 288.416 4.666 30 10 CJEE N#CC1([C@@H](O)c2cc(F)ccc2Cl)CCCCCCC1 2283345332 DAPSFKKTZDUTFP-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE Cc1ccc([C@](C)(O)CC=CC#CC(C)(C)C)cc1C 2284076698 MVDHICZERXYQTL-LJQANCHMSA-N 270.416 4.507 30 10 CJEE 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CCC[C@@H](CC)CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2307805199 BCHAXMDNYARKOV-JKXDFHQYSA-N 251.439 4.771 30 10 CJEE CCCCCCCCNC(CC1CC1)CC1CC1 2313605513 HEPQXBJBRZAVLS-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)Sc1ccc(F)cc1[C@@H](C)NCC 2313693313 WHDJXGYFDMRECR-NWDGAFQWSA-N 267.413 4.553 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@H](SC)C1 2314262122 JBHVASXYVKIUEC-JYJNAYRXSA-N 271.514 4.986 30 10 CJEE CCCCCCCCC[C@]1(F)CCN[C@]1(C)CC 2315165687 FZJHTTVETYKNOZ-CVEARBPZSA-N 257.437 4.997 30 10 CJEE C=CCC(C)(C)OC(=O)c1ccc(Cl)c(Cl)c1C 2316982789 IPSYTXWVRQHJNA-UHFFFAOYSA-N 287.186 4.813 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](CC1CC1)C1CC1 2320700901 SSBVYIPXIPNQMJ-IAGOWNOFSA-N 251.458 4.891 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CCc1ccc(Cl)cc1 2321221640 BMCQQHVZFYCQKY-HZPDHXFCSA-N 266.812 4.626 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CC[C@@H]2CC[C@H]1C2 2327117146 ZUBLGNDDWHLQOX-TTZDDIAXSA-N 270.482 4.564 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H](F)C1)NCCC 2327344673 MAJMGHKJILNOOI-OWCLPIDISA-N 257.437 4.853 30 10 CJEE C=CCN(C(=O)C=Cc1ccc(C)cc1)[C@H]1CCCC[C@@H]1C 2330844868 JWJXOILUDAQVBT-HKUYNNGSSA-N 297.442 4.602 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)C12CCC(CC1)C2 2335192815 AGEHUANCDROQFG-KZYLPZIUSA-N 281.509 4.633 30 10 CJEE C=CC[C@H](C)S[C@H](CC)[C@@H](NCC)c1ccccc1 2335205720 FWNBJDJTNHTVQK-UAGQMJEPSA-N 277.477 4.814 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCC2(F)F)NCC)CC1 2335414200 YOFFULBECNVQHC-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCC[C@H](C#CCSC)NCC 2336186181 NMWZUUYTIVKXCA-QGZVFWFLSA-N 283.525 4.862 30 10 CJEE CCCCCCC[C@@H](NC)[C@](C)(O)CCCC(C)C 2337746359 BDGKPPRSTPXHNE-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE C#Cc1ccccc1N[C@H]1CCC2(CCCCC2)C1 2339906933 BHFBQUDLUQMZBT-INIZCTEOSA-N 253.389 4.583 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)[C@H](C)C(C)C 2340223057 SXJQEDRXPCESTF-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@@](C)(O)CC1(C(C)(C)OC)CC1 2343759851 UVFZFIXTYOXYFR-MRXNPFEDSA-N 270.457 4.693 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1nc(C)c(C)s1 2344336281 HXXBBCIKDQXMSH-GOEBONIOSA-N 280.481 4.793 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)c(C)c1)NCCC 2344349431 SQKVISUEIHUMHD-CXAGYDPISA-N 279.855 4.771 30 10 CJEE C=CC[C@@H](C)[C@H](N)CCC12CC3CC(CC(C3)C1)C2 2344384325 LISWBNMYBWMTEM-IXRCJPEJSA-N 261.453 4.523 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(C)c2ccccc12 2344422392 XOKWCLKCPRFITF-UHFFFAOYSA-N 252.357 4.933 30 10 CJEE CC1(C)CC(CS)(COCC[C@H]2CC[C@@H]2C2CC2)C1 2345010662 NEBYLYDSOBJBOZ-HUUCEWRRSA-N 282.493 4.566 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@@H](CC(C)C)C1 2352197811 LHZJUXQHWHAQQJ-GOEBONIOSA-N 284.465 4.746 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2355393217 SBTSXCINGNFOBJ-CTASWTNQSA-N 284.390 4.843 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCC1 2358137463 OIKBQLUVFJSJCT-IPMKNSEASA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1C[C@@H]2CC[C@H]1O2 2358322212 MKNVZZMQLPALHM-XLAORIBOSA-N 279.468 4.578 30 10 CJEE CCSc1cccc(N2CCCCCC2(C)C)c1C#N 2360307098 OXHPXWVIFNAVHJ-UHFFFAOYSA-N 288.460 4.829 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@](C)(F)CC[C@@H]1NCCC 2360324863 SXEPWMHQNZADPW-BBWFWOEESA-N 299.499 4.889 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1c(F)ccc(C)c1Cl 2360544524 IQWFGXIXYTZRLT-CQSZACIVSA-N 288.753 4.773 30 10 CJEE CCCC1CCC(C#N)(Nc2ccccc2C)CC1 37937870 MYPOZOYECKJOND-UHFFFAOYSA-N 256.393 4.660 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)c(Cl)c1 54824613 BVMFSCZZDGKYNU-TZMCWYRMSA-N 262.784 4.533 30 10 CJEE CCCCCCCCCN(Cc1ccccc1N)C1CC1 59267419 DKNWONNFBGAVAL-UHFFFAOYSA-N 288.479 4.984 30 10 CJEE CCCCCCCCCCCCNCCCCCO 59497493 VFCBQIAWRNXHLE-UHFFFAOYSA-N 271.489 4.660 30 10 CJEE C[C@H](C#N)Cc1ccc2cc(Cl)cc(C(F)(F)F)c2n1 62712253 MPXXAIKWVAFQDR-QMMMGPOBSA-N 298.695 4.609 30 10 CJEE CCc1nc(CSC2CCCCC2)sc1CS 82423641 FVHULOPOBPAUNK-UHFFFAOYSA-N 287.519 4.701 30 10 CJEE Cc1cc(CNc2ccc(Cl)cc2C#N)sc1C 87580541 IQTXDSIZAQYIEH-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE C=C(CC)C[C@H](CSc1ccccc1Cl)NCC 90232874 XNOJUNQIKBBQHZ-CYBMUJFWSA-N 283.868 4.767 30 10 CJEE C/C=C/c1ccccc1OCC1(CS)CCCC1 94583907 AHQYAALZNSCYPE-FARCUNLSSA-N 262.418 4.589 30 10 CJEE Cc1ccsc1-c1cc(-c2ccco2)nc(S)c1C#N 96887197 HFXMWMKNLUPTGW-UHFFFAOYSA-N 298.392 4.539 30 10 CJEE C=C(CC)C[C@@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 97208441 QCHPVIODHLPYIV-QGZVFWFLSA-N 273.464 4.827 30 10 CJEE C=C(CC)C[C@@H](NCC)C12CC3CC(CC(C3)C1)C2 97208657 JBBPHIXKBMZLKH-AWDGRILASA-N 261.453 4.537 30 10 CJEE CCCC(C#N)(CCC)Sc1ccc(F)cc1 97329200 QDCPDHAHNHYLOZ-UHFFFAOYSA-N 251.370 4.780 30 10 CJEE O=C(/C=C\c1ccco1)c1cc(F)c(Cl)cc1Cl 97475309 UJMPMBRVEDWYHI-ARJAWSKDSA-N 285.101 4.622 30 10 CJEE CC(C)(C)[C@H]1CC(=O)N(CCCCCCCCCS)C1 97800054 YTANMPXDUOAHBZ-HNNXBMFYSA-N 299.524 4.542 30 10 CJEE Clc1ccc(/N=C/c2cc(Cl)nc(Cl)c2)cc1 100019167 TZWXHSROSPFTIX-FRKPEAEDSA-N 285.561 4.792 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(F)c1)NCC 103948393 DMGLUXYRWMNTDP-KRWDZBQOSA-N 265.416 4.707 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCc2ccccc21 110258032 PNRJJMFRFRMQCW-QGZVFWFLSA-N 282.774 4.701 30 10 CJEE CCCCCCCCCCCCC1(O)C[C@@H]2CC[C@H](C1)N2 115650648 LACYLIIVWUNIRN-DFNIBXOVSA-N 295.511 4.943 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1ccccc1C 118646772 YHELYNMMQQRWPC-INIZCTEOSA-N 262.393 4.914 30 10 CJEE CCCCCCCC[C@H](NCC)c1ncccc1F 124174889 WLABWHVRXSBEGZ-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(CC)CCCN1 125402768 ZVYSTWOWVZRHPH-KRWDZBQOSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCCCC[C@@H](C[C@@H]1CCCO1)NN 125523121 YOWHOLRQBPHCGU-ROUUACIJSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCCn1nc(CC)c(CN)c1CC 130860408 GRWQSXFONUCAFQ-UHFFFAOYSA-N 293.499 4.607 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCOC1)NCCC 136011606 MOQZQCUYNDLMBU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CCCOCC)NCC 139420937 PDYYKVWAQXRQFH-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@H](NC)c1scnc1C 139530507 DCOJSBVWPMFOHL-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCOCC(=O)C1CCCCC1 158218650 WVCDHNQQTCKHFZ-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@](C)(CC)OC 161658267 WWFTYDOSZJORDE-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@H](NCC)CCC2 164270673 QLWJBSNJOBJKOI-GOSISDBHSA-N 276.468 4.836 30 10 CJEE C=C(C)CC[C@H](N)C1(c2ccccc2)CCCCC1 164581976 UIHHXALZMSUEKM-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE CCCCCCCCCC[S@@](=O)c1cccc(N)c1C 165999904 OKDKQBHTPIUTOZ-FQEVSTJZSA-N 295.492 4.826 30 10 CJEE CCCCCCCC[C@@H](N)C1(OC)CCCCCC1 166886013 XOOAVTXDGZSURI-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 167816825 WBQQRQMTKHFRFY-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE Fc1ccc(C#Cc2ccc(-c3ccccc3)s2)cc1 197005065 ABYRDXGGBOMSBI-UHFFFAOYSA-N 278.351 4.954 30 10 CJEE Cc1cccc(C#N)c1Nc1cccc(C(C)C)c1 221000775 CYAWYFQACXINQN-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2cccc(C#N)c2F)C1 222344329 GLEUNQPETLOOSX-BXUZGUMPSA-N 263.381 4.509 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](n2ccnc2-c2cccs2)C1 222640540 RDTGWROSAJZECW-KFWWJZLASA-N 299.443 4.893 30 10 CJEE CCCCCCCCCCNc1cccnc1[N+](=O)[O-] 228387938 ZBGGYKURAOKRII-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1cccc2ccccc12 228817891 KFXFCXDDKFWYLU-HUUCEWRRSA-N 253.389 4.845 30 10 CJEE N#Cc1cc(Br)ccc1SCC1CCCC1 229239503 AORXMCXCTCGXCU-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE CCC[C@H](C)[C@@H](C#N)c1ccc(OCC(C)C)cc1 233345235 FQWZXBGDRTUDRD-WMLDXEAASA-N 259.393 4.765 30 10 CJEE C=CCCCCCNc1cc(Br)ccc1OC 234820813 HVMFVQYEBZKFEX-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE C=CCCCCCNc1cc(Cl)c(OC)cc1OC 234842666 KHKBIBDZYKWZOK-UHFFFAOYSA-N 283.799 4.516 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(F)cc2Cl)c1C#N 235252157 YQUNIZGYORXWLI-LLVKDONJSA-N 288.753 4.832 30 10 CJEE Cc1cc(OCc2ccc(F)c(C#N)c2)cc(C)c1Cl 235860967 JVHJUSFWEVHXJK-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCC[C@@H](O)Cc1ccc(F)cc1Cl 236548284 FISJYIMTIPEZRQ-CQSZACIVSA-N 270.775 4.519 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@H]1[C@H](C)CC 250803111 DOTSUWLAUOKHLH-MSOLQXFVSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@H]1CC(C)C 250814270 IOFJPWSHXPDINK-RTBURBONSA-N 296.543 4.836 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1[C@@H](C)CC 250823007 MFQARNYAZIYLRT-FCGDIQPGSA-N 296.543 4.691 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1ccc(Br)cc1 304559722 VOWSRXVTCIWWMH-SMDDNHRTSA-N 280.209 4.738 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCCC(F)(F)C1 305908287 CNUBKBXFZHYLOM-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(C)c1 308056320 PJSSWIORPPTDPI-IRXDYDNUSA-N 271.404 4.634 30 10 CJEE CC[C@H](Nc1cc(C)cc(C#N)c1)c1cccc(F)c1 308123823 UHLNQPVAPKPEAH-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCc2sccc21 312344830 RKPSNXSZYGSQAA-ZBFHGGJFSA-N 289.488 4.586 30 10 CJEE CCCCCCCC[C@@]1(C=O)COc2ccccc2C1 317703585 KVBFELQBLNYITM-GOSISDBHSA-N 274.404 4.557 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317749879 RUWZLUKRSKEHRQ-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(C(C)(C)C)cc1 393798596 KHVKPFUECZSELI-YOEHRIQHSA-N 259.437 4.989 30 10 CJEE N#CCc1ccc2sc(Cl)cc2c1C(F)F 396184295 BKYZTMHYMHVPLN-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@@H](CSCc1ccc(Cl)cc1)C1CCC1 397299354 PHAVTAPEFLPYMW-ZDUSSCGKSA-N 265.809 4.513 30 10 CJEE N#C[C@H](CSc1cccc(F)c1)C1CCCCC1 397302192 LWQJJENZFGSLIS-CYBMUJFWSA-N 263.381 4.638 30 10 CJEE C[C@@](C#N)(CC(F)(F)c1ccccc1)c1ccccc1 405583036 GWEAVNSNAUTJBV-INIZCTEOSA-N 271.310 4.650 30 10 CJEE C=C(C)CCSCc1coc(-c2c(F)cccc2F)n1 507092310 BHBSSAJSLYLYII-UHFFFAOYSA-N 295.354 4.819 30 10 CJEE C=C(C)C[C@H](C)c1nc(CSc2ccc(F)cc2)no1 573164985 LOJCOMRMEBMKMU-NSHDSACASA-N 292.379 4.571 30 10 CJEE C#CCCCCCSc1nc2ccccc2s1 686684134 FJSRJKDGEJZDRD-UHFFFAOYSA-N 261.415 4.582 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1/N=C1/NC2(CCCC2)CCS1 687320148 TUFSACBOCDWHCK-LSDHHAIUSA-N 294.508 4.597 30 10 CJEE CSc1cccc(Nc2cccc(C3CC3)c2)c1C#N 690309638 GYENJOKWGLRORV-UHFFFAOYSA-N 280.396 4.901 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCCC[C@H]1C(C)C 691134386 GTYOZAFVXUKVST-YESZJQIVSA-N 251.458 4.926 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(F)cccc1Cl 692206881 YRMSEBSPXGFMCZ-MLGOLLRUSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)Cc1ccc(Cl)cc1 692233904 FPQFBAHXNFULRF-YXJHDRRASA-N 291.866 4.996 30 10 CJEE Cc1cc(N[C@@H](C)CC(C)(C)C#N)c(Cl)cc1F 695816252 JZRZLNJEHZJZRB-JTQLQIEISA-N 268.763 4.528 30 10 CJEE CCCCCCCCCCOCC[C@@H]1NCCC[C@H]1C 697238674 JTPGLZAFXYOGSY-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCCOC2CCCCC2)C1 699948971 HISQEXJCFDSRFW-WMZOPIPTSA-N 280.452 4.901 30 10 CJEE COC(C)(C)c1ccc(C(=O)C2=CCCCCC2)cc1 700537423 BZWIFOGYGRQPDB-UHFFFAOYSA-N 272.388 4.641 30 10 CJEE CCCCCCCN[C@@H](c1ccccc1)C(F)(F)F 703748599 OVLLMEDCSGTCFL-AWEZNQCLSA-N 273.342 4.850 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCCCC[C@@H]21 708310249 KXHHEOLCWGIADG-CVEARBPZSA-N 283.525 4.767 30 10 CJEE C=C(C)CCOC[C@H](NCCC)c1c(F)cccc1Cl 708923568 DUPHKSXZRXQZQD-HNNXBMFYSA-N 299.817 4.503 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(F)c(Cl)c1 710594749 SENPZRHCMKEFSZ-CYBMUJFWSA-N 276.182 4.662 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc(Cl)sc1Cl 710604507 RSVFVRREDIWAIF-MRVPVSSYSA-N 284.639 4.848 30 10 CJEE C=C(Cl)C[C@@H](CC1CCCCCC1)NCCC 710662661 FYBXQHIAYDUXDR-HNNXBMFYSA-N 257.849 4.858 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1F 715830636 OKCMLPQZOBVZLX-ZUZCIYMTSA-N 287.781 4.871 30 10 CJEE Cc1cc(Sc2ccc(C(C)C)cc2)c(C#N)cc1N 721105415 XSPMYZWPDTXGOD-UHFFFAOYSA-N 282.412 4.724 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C1CCCCC1)C1CC1 723881650 PXGZQGSWMKCACM-SFHVURJKSA-N 268.404 4.638 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@H](C)O[C@H](C)C1 724421234 PJWCRIPJMXDTRH-LTIDMASMSA-N 270.457 4.692 30 10 CJEE C=C1CCC(COc2ccc([C@@H](C)NC)cc2Cl)CC1 724557516 WQUQKTSMBRNLBE-CYBMUJFWSA-N 293.838 4.746 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Cl)ccc2OC)CC1 724559129 GYPUQQXVTCULLD-HNNXBMFYSA-N 280.795 4.519 30 10 CJEE C=C1CCC(C[C@H](N)c2cscc2C(F)(F)F)CC1 724607586 PLIDDMZZYABMKW-ZDUSSCGKSA-N 289.366 4.903 30 10 CJEE C=C1CCC(CC(=O)c2cccc(OC(C)C)c2)CC1 724609442 UYNQXCPQXZFSOA-UHFFFAOYSA-N 272.388 4.793 30 10 CJEE N#Cc1c(SC(F)(F)F)sc2c(F)cccc12 725292320 UTAYAMLVZYKBJQ-UHFFFAOYSA-N 277.267 4.524 30 10 CJEE 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4.621 30 10 CJEE CCCCCCCCNCCC[C@H](CCN)C(C)(C)C 159383405 NZECVCSPFHQXES-QGZVFWFLSA-N 284.532 4.728 30 10 CJEE N#Cc1cc(SCC2CCCC2)ccc1C(F)(F)F 164519565 JVDHYHYPTMCVMQ-UHFFFAOYSA-N 285.334 4.859 30 10 CJEE C#CCOc1ccc([C@@H](C)N[C@H](CC)c2cccs2)cc1 178709087 JRLBPRSPIQWUMT-RHSMWYFYSA-N 299.439 4.562 30 10 CJEE N#Cc1cc(Sc2ccc(Cl)cc2Cl)ccc1N 198721526 OGIOBEGOQGQVOI-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@H](C)C(=N)N 203483941 DPZNWJREGRVVLF-KRWDZBQOSA-N 297.531 4.801 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2ccc(Cl)s2)C1 218494332 NPMNEEQKZVEDGZ-DYEKYZERSA-N 296.867 4.552 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)c1cc(F)cc(C#N)c1 227616993 JNARKBLSHNCLGB-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCC[C@H](N)c1ccc2cccnc2c1 228954958 LPXAWECWHLGFFI-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CCCCCCCCn1ccc2ccc(C=O)cc21 229653879 UZIHMTBULRLZQN-UHFFFAOYSA-N 257.377 4.814 30 10 CJEE CCCCCCCC[C@@H]1CNc2c1cccc2[N+](=O)[O-] 232939248 JKOLFXSNQLPZQC-CYBMUJFWSA-N 276.380 4.855 30 10 CJEE 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N#CCc1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 514263117 BWZIIICTDMWFGU-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)C)CCC[C@@H](C)C1 686708353 AKKFBWMXIBQOGD-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE C=C(CNc1ccc(C)c(OCC)c1)c1ccccc1 690129891 KQTYRDVHJKCRCQ-UHFFFAOYSA-N 267.372 4.519 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](OC)C1CCC1 692735105 JHZDPIPAGVTBJL-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@H](N)c1cc(C(F)(F)F)ccc1Cl 695050723 WFIRATXGDXSQCP-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1c(Cl)cnn1C 696514342 ATVJCJKBBZXGHO-OAHLLOKOSA-N 299.890 4.865 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)C[C@H](C)CC 698916044 IWRBWQFRXMPQKH-RHSMWYFYSA-N 296.455 4.742 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1nccn1C(C)C 699451472 RJCNPJFBURLEJQ-MRXNPFEDSA-N 280.456 4.508 30 10 CJEE CCCCCCCC[C@H](N)c1csc(COC)c1 699789053 WNBNZZJPVORSGX-HNNXBMFYSA-N 269.454 4.645 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@]12CCCC[C@@H]1C2 709098003 QPOHVYPFDMLRGU-WQVCFCJDSA-N 274.795 4.614 30 10 CJEE CCCCCCCCNC[C@H]1CC(C)(C)OC1(C)C 709656776 PQHOXKLPSICJHC-OAHLLOKOSA-N 269.473 4.530 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc(Cl)cc1Cl)NCC 710560005 XXFNKOBJFOWJQO-GFCCVEGCSA-N 292.637 4.657 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCCCC1(C)C 710663696 LTMOYVYXCZNKPW-KGLIPLIRSA-N 257.849 4.714 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC3(CCC3)O2)CC1 712507183 BBQLRJZLLLXGBF-AQFXKWCLSA-N 278.436 4.654 30 10 CJEE CCCCCCCCCCNC1CCC(N(C)C)CC1 715514761 WVCJTBFXWKHQAQ-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)cc1Cl 715723737 ZFGGKGUQWDADCD-IINYFYTJSA-N 272.219 4.856 30 10 CJEE C=CCCC(C)(C)Nc1ccccc1C(F)(F)F 717643113 QMVFNUQDWJOOHI-UHFFFAOYSA-N 257.299 4.862 30 10 CJEE CCCCCCCC[C@@]1(CNCC(C)C)C[C@H](C)CO1 718447879 KSUZSZRVSZQMKV-ROUUACIJSA-N 283.500 4.778 30 10 CJEE CCCCCCCC(=O)[C@H]1CCCCC(C)(C)C1=O 719287731 JAWWXOWYRFYYPU-CQSZACIVSA-N 266.425 4.702 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(C2CC2)C2CC2)CC1 724567656 LDPFBNMMISLZAI-GOSISDBHSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)c2sccc2Cl)CC1 724595573 BJOOZSSRPROWHL-GFCCVEGCSA-N 255.814 4.538 30 10 CJEE C#CCCCCCCN1CCc2ccccc2[C@H]1C(C)C 1167657055 QZMDYFONVNCVCP-HXUWFJFHSA-N 283.459 4.826 30 10 CJEE C=CCn1cc2ccc(NCC3CCCCCC3)cc2n1 1179662939 ZHNUOKRUZZLQGD-UHFFFAOYSA-N 283.419 4.605 30 10 CJEE C=C(C)[C@H](N[C@H]1C[C@H]2CC[C@H](C2)C1)c1ccc(F)c(F)c1 1180954047 TVQNDKVSMWNRCG-HRJSJKBJSA-N 291.385 4.750 30 10 CJEE C#C[C@H](NC1CC(c2ccccc2)C1)c1ccc(Cl)cc1 1182151649 BOQZKLQNOFKXJQ-KVZIAJEVSA-N 295.813 4.550 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1C[C@H]1Cc1ccccc1 1184336515 ACHUZLQAWDTLDQ-QYZOEREBSA-N 271.448 4.590 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(CC)c(C)c2)CCCC1 1215990728 UADWZMTWBJOBFI-UHFFFAOYSA-N 286.419 4.568 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@@H]1CC=CC[C@H]1C 1229459339 FZQBKQHKDKUYHO-IAGOWNOFSA-N 292.467 4.557 30 10 CJEE N#CCc1c(F)cccc1-c1ccc(C(F)(F)F)cc1 1240823727 XOXDOZWBKHYCBV-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC(C)(C)CNC(=O)N1CCCC(CC)(CC)CC1 1251417322 HQYXYAWDHFNJEF-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CC[C@@H]1N(C(=O)c2ccsc2Cl)CCCC1(C)C 1270802130 PUFYBYOVVHNZCG-LBPRGKRZSA-N 297.851 4.608 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H](C)CC(C)C)c1ccccc1 1288364529 PDXGPDUWTODYCT-AEFFLSMTSA-N 287.447 4.882 30 10 CJEE C=CCn1ncc2ccc(NC(=O)CCCCCCC)cc21 1289390203 FKZAUCFSSBFWKZ-UHFFFAOYSA-N 299.418 4.521 30 10 CJEE C=CCCCCN1CCC[C@@]1(C)Cc1ccc(F)cc1 1307856036 CJVQGSLWGUJOJK-SFHVURJKSA-N 275.411 4.579 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(C(C)(C)C)cc1 1350315672 DYVGEMPRXGUQDO-UHFFFAOYSA-N 271.404 4.691 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(-c2cccs2)c1 1352163758 LCYRZRPCNQYBPG-UHFFFAOYSA-N 271.385 4.566 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)CCCCC1 1355224701 JCHFUSWNAAQCLO-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(Cl)c1Cl 1358051674 UVPDNSZQLCCIIW-JTQLQIEISA-N 286.202 4.843 30 10 CJEE C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 1436266341 RKCMXDLJDCILCH-NEWSRXKRSA-N 299.458 4.679 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)CCCCC1 1436680474 MYRDIWZIYYKXJI-HOTGVXAUSA-N 291.479 4.844 30 10 CJEE C=CC[C@@H]1CCN1C(=O)c1csc(C2CCCCC2)c1 1456850501 KGGNAAWWKFZQCS-OAHLLOKOSA-N 289.444 4.586 30 10 CJEE C=C(C)CCN[C@H](Cc1ccccc1)c1sccc1C 1459922058 CVKFBHXQOMAUIM-QGZVFWFLSA-N 285.456 4.896 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1 1469921645 XEFBHYHURLHHDW-IEBWSBKVSA-N 297.442 4.551 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(-c2cnco2)cc1 1474388280 ZRRDFSNOVSFBKF-AWEZNQCLSA-N 270.376 4.888 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCC[C@H]2CCCCCC)CC1 1474694719 MNIXTFQAWSBJNF-NCXUSEDFSA-N 275.480 4.907 30 10 CJEE C=CCCCCCCCCNC(=O)c1c(C)coc1C 1527714146 HKGDIZWGSNOWHI-UHFFFAOYSA-N 277.408 4.543 30 10 CJEE C=C(C)CCC(=O)NC(C)(C)c1ccc(C(C)C)cc1 1528550935 KLKQWTYHAZHJOD-UHFFFAOYSA-N 273.420 4.518 30 10 CJEE C=CC1(CC(=O)N[C@H]2C[C@H]2C2CCCCC2)CCCCC1 1531462969 LGKRXDLPWBTALV-IRXDYDNUSA-N 289.463 4.598 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCc2ccc(C(C)(C)C)cc2)C1 1560265551 VAJLRUNMIDFNTJ-MJGOQNOKSA-N 285.475 4.861 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccccc3C)C2)C1 1560456238 PFIUEOBYTKZBDJ-FJIDUMEYSA-N 269.432 4.575 30 10 CJEE C=CCCCCCN(C)[C@@H](CC)Cc1ccccc1 1615679231 STMXNQVHLDTUDB-SFHVURJKSA-N 259.437 4.686 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C2CCC2)cc1 1617465262 FCTSMVDBJAAGMO-IEBWSBKVSA-N 297.442 4.819 30 10 CJEE C#CCN(Cc1c(C)cc(Cl)cc1C)C1CCCCC1 1621143555 IOCOFBGPJXVMTK-UHFFFAOYSA-N 289.850 4.725 30 10 CJEE C=CCCCC[C@H](C)NCc1c(Cl)cccc1OC 1621253219 PMYGASDONLFGKM-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE C=CCN(Cc1cccc(C2CC2)c1)c1ccccc1 1621261952 HZEKQBPXBJMUIO-UHFFFAOYSA-N 263.384 4.757 30 10 CJEE C=C(CC)COc1c(C=O)cc(Cl)c2ccccc12 1643823164 KCMHQKKGYZWIOG-UHFFFAOYSA-N 274.747 4.651 30 10 CJEE C=CCN(CCC#N)Cc1ccc(C(C)C)cc1C(C)C 1645845045 SGROJYSAVZECHS-UHFFFAOYSA-N 284.447 4.835 30 10 CJEE C=CCCC1(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 1651322883 YFBQKTJQXZJCMI-DLBZAZTESA-N 293.495 4.696 30 10 CJEE C=CCCCCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 1653631081 DEMVGYVYAZFPTL-INIZCTEOSA-N 281.802 4.876 30 10 CJEE C=CCOc1cccc(CNC2CCC(CCC)CC2)c1 1655421429 XNTDVMINUCHBJA-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE C=CCC[C@@H](NCc1ccc(C)s1)c1ccccc1 1655957079 OZFYARRNGFFLAK-QGZVFWFLSA-N 271.429 4.854 30 10 CJEE N#CC1(CNCc2cc(Cl)cc(Cl)c2)CCCCC1 1656647259 ARWJGHMBJLLQGV-UHFFFAOYSA-N 297.229 4.557 30 10 CJEE C=CCCC(C)(C)NCc1cnc(-c2ccsc2)s1 1656693531 AIZZKXYXMGAASZ-UHFFFAOYSA-N 292.473 4.706 30 10 CJEE C=CC(C)(C)CCNCc1ccc(OC)c2ccccc12 1656694389 ZHALGNYKKKOYDW-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE C=CCCCCCN1CCC[C@H](C(C)(C)C)CC1 1657329504 QCMULSFVYITPGR-INIZCTEOSA-N 251.458 4.881 30 10 CJEE CCCCCCCN(C)[C@H]1CC[C@@H](SCC)C1 1657412086 PZXJXYQPNJHAMC-LSDHHAIUSA-N 257.487 4.563 30 10 CJEE C=CCCCCCN1CCC(c2cccc(F)c2F)CC1 1659159338 GOSCYDSATQMZGX-UHFFFAOYSA-N 293.401 4.891 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1ccc(O)cc1 1877595435 JHRHEKDGIFLZGI-LSDHHAIUSA-N 263.425 4.792 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)C(C)(C)C1CCCCC1 1887452215 JTSWRDNLSOQDKX-DOTOQJQBSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)Sc1c(N)cccc1Cl 1899328504 SPLFRXYYUKTBMV-UHFFFAOYSA-N 253.798 4.535 30 10 CJEE CC(=O)C(C)=Cc1c(Cl)ccc(Cl)c1Cl 1911564465 PBLOHIJRUPZSJU-UHFFFAOYSA-N 263.551 4.639 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CCC2(CCCCC2)C1 1915907616 HIDMQDPSRBJPGA-WMZOPIPTSA-N 281.484 4.540 30 10 CJEE CCCCCCC[C@](C)(N)[C@@H]1CCCc2cccnc21 1919516561 WFFZBDPQUDLLNP-AEFFLSMTSA-N 274.452 4.579 30 10 CJEE CCCCCCCCC[C@](C)(O)Cc1ccco1 1919969941 NBHAZXPKCDNKRF-INIZCTEOSA-N 252.398 4.714 30 10 CJEE CC[C@](O)(c1cccc(Cl)c1)[C@@]1(C#N)CCCC[C@H]1C 1921053693 MOVLKCNMVRSZGV-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE C=C([C@H](NCCC)c1ccc(SC)s1)[Si](C)(C)C 1922995173 CPLHUEAWQQTLJO-AWEZNQCLSA-N 299.581 4.944 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(c1)[C@H](C)CO2 1925714811 CTJZEOHCALWRQF-RHSMWYFYSA-N 275.436 4.804 30 10 CJEE CCCCCCCCNc1ccc(N)c(Cl)c1 1927211583 XHTOWWWTULNMEG-UHFFFAOYSA-N 254.805 4.695 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)[C@@H](CC#N)c1ccccc1 1927742211 KVSQJDYUTSAHKP-XLIONFOSSA-N 292.426 4.942 30 10 CJEE 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DXERZHOBCDXEMB-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCC[C@H](O)[C@]1(OCC)CCC[C@@H](C)C1 2206890383 GMPRPSHGZKZGJY-SQNIBIBYSA-N 282.468 4.859 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@H]1C[C@H]2CCC[C@H]1C2 2207346272 QLYMFCOZSRVBGJ-ULQDDVLXSA-N 295.536 4.767 30 10 CJEE C=CCCCCCCCCC(=O)c1csc(COC)n1 2207375126 DRSYLQUQBHZUHP-UHFFFAOYSA-N 295.448 4.779 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)[C@H](C)C(C)C 2207377665 OQGYCOZUARSMIT-SJLPKXTDSA-N 282.468 4.905 30 10 CJEE C=CCCCCCCCCCN1C[C@H]2CCC[C@@H]2C1=O 2207378540 UBKUIYYHMYQUHU-SJORKVTESA-N 277.452 4.552 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H](C)C1 2207438216 QNURRHULPHUJMJ-KSZLIROESA-N 280.500 4.951 30 10 CJEE C=C(C)CC[C@@H](C)NCc1sc(C)c(C)c1C 2215534614 ASHLNEYLLYDPGY-LLVKDONJSA-N 251.439 4.508 30 10 CJEE CC[C@@](C)(CCCC(C)C)OC[C@@H](CS)C1CC1 2218952606 NDISAQNOBLNNIO-HOTGVXAUSA-N 272.498 4.954 30 10 CJEE N#Cc1ccc(F)cc1CSCCCCC1CC1 2220014526 UQIANBHKPAYMQE-UHFFFAOYSA-N 263.381 4.511 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@@H](CC)CC(F)F 2223556319 JIXRGZUMBHGOSC-IPYPFGDCSA-N 261.400 4.638 30 10 CJEE C=C[C@](C)(CCCCC(C)(F)F)CNC1CCC1 2223566292 ODAOCWRAQUYTSY-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCCC[C@@](C)(N)CC1CC(C)(F)C1 2223828471 NOQDPGYFYUFUQI-UYSNPLJNSA-N 257.437 4.983 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@H]1CCSC1 2223857590 PYYKOBCGYVMJTG-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE O=C(C=C1CCCC1)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2225300900 KNLBPZVVMLMCQF-AGUYFDCRSA-N 268.347 4.518 30 10 CJEE CCCC#C[C@H](NCCC)C1CC2(CCCCC2)C1 2225440529 WHGZFGXPRUGYJK-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CCCCCCCCn1ccc2sccc2c1=O 2227283451 NEJWLSUXHIJWAH-UHFFFAOYSA-N 275.417 4.590 30 10 CJEE C=CCCCCCCCN1CCS[C@@H]2CCCC[C@@H]21 2227286095 WPAGSNOJXJVCQM-DLBZAZTESA-N 281.509 4.873 30 10 CJEE C=CCCCCCCC[C@]1(O)COC(CC)(CC)C1 2227287263 ZSKJWARHZBHBTN-MRXNPFEDSA-N 268.441 4.613 30 10 CJEE C=C1CC(C[C@H](N)c2ccc(Cl)c(C(F)(F)F)c2)C1 2228026290 NDDGBYQBKVDHPG-ZDUSSCGKSA-N 289.728 4.715 30 10 CJEE CC(C)c1cc(Oc2cc(Cl)ccc2C#N)ccn1 2228119924 GYWQDIONYYIOEZ-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE N#CCN(CCCCCCCC1CC1)C1CCCC1 2230953146 PNIXDVHHKHXHDG-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE C=C(CC)COc1ccc(CN[C@@H](C)CC)c(Cl)c1 2231581425 CWGCDHNUSIJLMO-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE Cc1nc2nccc(C3(C#N)CCCCCCC3)c2s1 2232807686 VPOLZJLFZZYPJQ-UHFFFAOYSA-N 285.416 4.505 30 10 CJEE C=CCCCCCCCNCc1c(Cl)cccc1OC 2235522094 PXZDLHFXRJATPW-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)CC(CC)CC 2235522562 VWBVNYPZVPVJKH-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(F)c(OC)c1 2235522956 ZPLPHKVKCPTTPP-MRXNPFEDSA-N 280.383 4.784 30 10 CJEE C=CCCCCCCC[C@H](N)C1([C@@H]2CCCCO2)CC1 2235523159 BXMNTMOXASYHIB-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](O)C[C@H](C)CC 2235525628 CCJUCLVYCRPISE-FGTMMUONSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cc(C)cc(C)c1 2235526274 JJDNLZCXFBWNRY-GOSISDBHSA-N 274.452 4.725 30 10 CJEE C=CCCCCCCC[C@]1(N)CCC(C)(C)C[C@@H]1OC 2235533275 SNUPUKRKTZGJCK-WMZOPIPTSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2235533586 BSEKHMPGMDDOOZ-BZUAXINKSA-N 285.422 4.879 30 10 CJEE C=CCCCCCCCN1CCC[C@H](COCCC)C1 2235542877 XESWVHRFTQTRPR-SFHVURJKSA-N 281.484 4.652 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cc(F)cc(Cl)c1)C1CCCCC1 2237998743 SIHXOMRYPWVIEL-YVEFUNNKSA-N 293.813 4.712 30 10 CJEE CCCCCCCCCO[C@H]1[C@H](N)CC(C)(C)C1(C)C 2239448391 IBDQRYSHFOSMSO-CVEARBPZSA-N 283.500 4.906 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(CN[C@H](C)CC)cc1C 2240214255 OVGPEMPLGFHZTK-HZPDHXFCSA-N 275.436 4.617 30 10 CJEE COC12CCC(CC3(C#N)CCCCCCC3)(CC1)C2 2240290715 HKBQRNZLFZOTLO-UHFFFAOYSA-N 275.436 4.980 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H]1CCOC2(CCC2)C1 2240621414 HUIJKYLNZKTCKF-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC1CC(CC)C1 2240644727 MMPNKCOOSYPOCH-ZGUYJTEBSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCC(C)(F)F)NC 2240646429 ANBONLLANFHGES-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc2occc2c1 2241188272 YFQNGOWWSKXQAG-INIZCTEOSA-N 269.388 4.523 30 10 CJEE C=C(CC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C 2244386312 IGBMFDOJWDPPNZ-CYBMUJFWSA-N 259.176 4.692 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(F)cc1Br 2248469686 ZHZOJQVPCZFHIR-UHFFFAOYSA-N 295.195 4.736 30 10 CJEE CCCCCCCCCNC1CC2(CC(C)C2)C1 2254141104 ZICAGYIDNMWHOZ-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H]1CCC[C@@H](C(C)(F)F)N1 2256098334 VTDQKBRHOLTTBA-KBPBESRZSA-N 261.400 4.903 30 10 CJEE C=CCCS[C@@H]1C[C@](C)(CC)CC[C@H]1NCCC 2259049911 WCOORLZNTDFUOC-BZUAXINKSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCCC1(C)C 2259199450 RQUBSIHGZOUWLF-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)C1CC2(CCC2)C1 2260472671 GIVOGOUCMZOKRS-GOSISDBHSA-N 269.454 4.502 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1sc(C(F)(F)F)cc1C 2263308384 SJWJPNJKDRWNGP-GZMMTYOYSA-N 277.355 4.677 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC1(C)CC(C(F)(F)F)C1 2264645339 ABPRUIPSPUWDRQ-ABXWRUBCSA-N 276.342 4.751 30 10 CJEE C=CCCCCCN1CC(F)(F)C[C@@H]2CCCC[C@H]21 2264822011 INLJVLDDHFDMTN-LSDHHAIUSA-N 271.395 4.633 30 10 CJEE CCCCCC#CC[C@@H](O)C[C@@H]1CCCCC12CC2 2264880301 AQFUXGSXSNSBDB-DLBZAZTESA-N 262.437 4.682 30 10 CJEE CCCCCCCOc1ccc(C(C)=NO)c(C)c1 2268040053 UVRWTUFRWMBFDJ-UHFFFAOYSA-N 263.381 4.542 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(N)c(C)c1C 2268198181 NKLGXNUFAGJYDN-QGZVFWFLSA-N 263.425 4.670 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)CC1CCCCCC1 2268828119 YNLJHUIMLHUTAQ-KRWDZBQOSA-N 262.437 4.704 30 10 CJEE C=CCCCCCCC[C@](C)(O)c1sc(C)nc1C 2269545425 KKBILHHXSZEECV-INIZCTEOSA-N 281.465 4.884 30 10 CJEE C=CCCSc1cc(C)cc(F)c1CN[C@@H](C)CC 2271504171 ZZFPQGJNUBKZPO-ZDUSSCGKSA-N 281.440 4.690 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(C(F)(F)F)cc1 2271837373 RWZTVRHUHKAJLB-AWEZNQCLSA-N 272.310 4.875 30 10 CJEE C#C[C@H](NCC[C@H](C)CCCC(C)C)C1CCCC1 2272369200 URTHNHJIAYQRGH-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE C#CC1(Nc2ncc(Cl)cc2Cl)CC2(CCCC2)C1 2272621188 KJYBKCXQFDIAHT-UHFFFAOYSA-N 295.213 4.527 30 10 CJEE CCCCCCC[C@@H](CC(CC)CC)OCC(=O)O 2274938974 GCKXIAZGUPHPST-HNNXBMFYSA-N 272.429 4.643 30 10 CJEE CC=CCCC[C@@H](CCCCCCCC)OCCN 2276508051 BQFGKQPWKFFFEA-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CC=CCCC[C@H](CCCCCCCC)OCCN 2276508052 BQFGKQPWKFFFEA-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=C([C@@H](NCC)c1nc2ccccc2s1)C(C)(C)C 2278000251 BRJMQGSWQCWLBU-CQSZACIVSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@@](C)(CNC)O1 2278171741 QJGIJYQRJFWKJF-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C(C)C[C@](C)(CCCCCCCCC)OCCN 2278236694 GLWGOQZVJRQOMO-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](COC)C1CC1 2278241667 FEXHLORCBQIMNO-WBVHZDCISA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1(C#N)CC(C)C1 2278247469 NRBVUGSPMBWCPS-AQFXKWCLSA-N 265.441 4.818 30 10 CJEE CCCC1CCC(CN(C)CC2(CS)CC(C)C2)CC1 2280055790 FPTFVDAAAFCYIQ-UHFFFAOYSA-N 297.552 4.871 30 10 CJEE CCC1(CC)CNC(=NCC(C)(C(C)C)C(C)C)SC1 2283822063 WUBTXIGVCCBGCK-UHFFFAOYSA-N 298.540 4.804 30 10 CJEE CCCN[C@](C#N)(CC)CCCSC[C@@H]1CC[C@H](C)C1 2284041380 RQDHWIZJVUBKJW-GVDBMIGSSA-N 296.524 4.608 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1(C)CCCCCC1 2284098885 MIKSYLUMOUKXSE-KRWDZBQOSA-N 275.480 4.931 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C(C)(F)F)ccn1 2284164512 LUSRBWWWPDQJKB-AWEZNQCLSA-N 284.394 4.814 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(C)cc2occc12 2284186425 AQIKJVYAXKBYKO-KRWDZBQOSA-N 274.408 4.671 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cn(C(F)F)cn1 2284870089 SPMCMZCKOWVZCH-CYBMUJFWSA-N 287.398 4.679 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(C)cc1OC 2287407875 AYOLZOMMVQMROW-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE CCCCCCCN(C)C[C@](CC)(CCC)CNCC 2287733031 AWGGHWYYZURHCQ-GOSISDBHSA-N 284.532 4.695 30 10 CJEE CC(C)CCC[C@@H](C)CCNC[C@H](C#N)C1CCCC1 2287858293 CGWMPXYQCJILOK-AEFFLSMTSA-N 278.484 4.758 30 10 CJEE CCCCCCCCCCCCNC12COCC(C1)C2 2288693577 GZFFSFZGCHQJRR-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCc1ccc(C#N)c(NC[C@]23CCCC[C@@H]2CC3)c1 2289024816 ZZYMXFMQSSHUIM-SJLPKXTDSA-N 268.404 4.503 30 10 CJEE C=C(C)CCCNCCCCCCCCCCCCO 2289426460 VQIHUCTZOSPDQR-UHFFFAOYSA-N 283.500 4.826 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CC1=CCCCC1 2289851344 FOHCIDADIPOSRK-LJQANCHMSA-N 273.464 4.829 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)CC[C@@H](C)C1 2290628269 UOMPCDARZJBMEL-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=CCCC[C@H](OCCC(=O)O)c1sc(C)c(C)c1C 2290652021 FYWBQZYEPRPWHQ-AWEZNQCLSA-N 296.432 4.562 30 10 CJEE C=CCCCCCC[C@@]1(OCCC(=O)O)CC[C@H]1CC 2291295468 TXYWTOWYZXKXHH-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@]1(OCC(=O)O)CCCCC1(C)C 2291439470 KISQRLIIXUYPPT-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](CC)(CCCC)OCC(=O)O 2292428045 RQQZZFRRQAJCHY-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCCC1(OCCCN)CC(CCCC)C1 2292794103 AYCXCVFELGJYCL-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC1(OCCN)CCCCCCCC1 2292881341 FIVIVMLJRYJFFN-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@@]1(C)CC=CCC1 2293819507 GWKGWJTZRHTBHI-ROUUACIJSA-N 279.468 4.603 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCC[C@H]1C(C)C 2294032998 OLPWOPMEWOJJHR-ROUUACIJSA-N 281.484 4.683 30 10 CJEE C=CCCC[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC 2294716637 FEHMPDUJDJKUNG-GOSISDBHSA-N 273.464 4.716 30 10 CJEE C[C@@H]1CC[C@@](C)([C@@H](O)C#Cc2ccccc2Cl)C1(C)C 2295216607 KJRYHSDJIKHTAV-SKDZVZGDSA-N 290.834 4.515 30 10 CJEE CCCCCCCCC[C@](C)(O)c1sccc1C(=O)O 2295602530 BTQBIPTWYNPQFG-INIZCTEOSA-N 298.448 4.795 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccnn1CC 2295673051 DJTDSRCHWBERIK-INIZCTEOSA-N 279.472 4.522 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CCC[C@](C#N)(NC)[C@@H]1C 2295710506 HMALODRXNRWKQD-YYIAUSFCSA-N 296.524 4.606 30 10 CJEE C=CC[C@H](C)Sc1cc(C)sc1CNCCC 2298951867 ZWNNPTBHCJKMMS-NSHDSACASA-N 269.479 4.613 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(Cl)c1Cl 2304051684 IGTNDEHFWGDHBX-ZDUSSCGKSA-N 272.219 4.856 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2C[C@H]2C(F)(F)F)C1 2310530144 OUFVOAXJVDJFHU-DMDPSCGWSA-N 259.315 4.685 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@]12CCC[C@@H]1CC2 2313314996 XGMZAKIVSOJLNX-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](C)Sc1c(Cl)cccc1CNC(C)C 2313697189 BJCAJWSRODFCPL-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE C=CC[C@H](NCCC)c1cc(C2CC2)ccc1Cl 2317132664 OMIHSEILWJEQBZ-INIZCTEOSA-N 263.812 4.834 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H](C)CC(F)(F)F)NCCC 2321108616 RHFHRGVDGAKICK-FRRDWIJNSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1sc(C)c(C)c1C 2321114202 VTELKJKHONIELO-HZPDHXFCSA-N 265.466 4.926 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC(CC)CC1)NCC 2321115279 DSQMKRQDRQEOEU-ZGRYLRDCSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](CC)Nc1cc(Cl)nc2ccccc12 2321124582 DWXACTYDHBLOJM-NSHDSACASA-N 260.768 4.655 30 10 CJEE C#CCC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2325223791 ZSVNTPODVVRUFX-AWEZNQCLSA-N 288.193 4.587 30 10 CJEE Cc1c(Cl)ccc(-c2ccc(C#N)c(Cl)n2)c1Cl 2327878167 WMSHDSRWWBYWHS-UHFFFAOYSA-N 297.572 4.889 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2328624605 ATNRCKHGCDQZLD-XDNAFOTISA-N 263.469 4.927 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CC2 2330443738 ZFSNCBYAGMDYEE-XFMPKHEZSA-N 265.347 4.532 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@]12CCC[C@H]1CSC2 2333706214 IHLWAEAKIPJXQJ-BBWFWOEESA-N 281.509 4.764 30 10 CJEE Cc1ccc(C(C)C)cc1N=C1NC(C)(C)CCS1 2337622943 URTXYIKVTDPDHI-UHFFFAOYSA-N 276.449 4.611 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C12CCCC1CCC2 2338747459 QIHAZQXLBYFBRB-LXPRWKDFSA-N 261.453 4.703 30 10 CJEE CCCC1CCC(C#N)(C[C@]2(C)CC=CCO2)CC1 2339857639 NPIUMYOHKDAMLS-CGZBRXJRSA-N 261.409 4.612 30 10 CJEE N#C[C@]1(CC[C@@H]2CC[C@H]2C2CC2)CCCC(F)(F)C1 2342553383 CGICNBMKKLSCCX-KKUMJFAQSA-N 267.363 4.922 30 10 CJEE C=C(C)C[C@@H](N)C[C@H](c1ccccc1)C1CCCC1 2342555487 DAYCKPCDXWQSNX-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ncc(C(C)(F)F)s1 2344335681 BQIIYCNCFNMKKA-CMPLNLGQSA-N 288.407 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc2ccccc2c1 2344337004 NMANXSGQOXFLMY-MSOLQXFVSA-N 253.389 4.832 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C2(C)CC2)c1 2344345872 OZISDVPSSGATPM-SJORKVTESA-N 257.421 4.730 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(C(F)(F)F)cc1C 2344358208 UJSOFMNJRWXTHI-CYBMUJFWSA-N 271.326 4.616 30 10 CJEE C=CCC(CC=C)S[C@@](CCC)(C(=O)O)C(C)(C)C 2352211481 HKZPLRVCTSLQTR-INIZCTEOSA-N 284.465 4.910 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1CCC[C@H](N)C1 2355114273 QERJGSLAQHSZEX-FGTMMUONSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CC[C@H](COC)C1 2355997030 CZHOHXZZLBISJW-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC[C@@H]1C[C@@H]1CC 2358948096 OFHAIQKAVNEHKI-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@H]1CCC 2359391894 SGBJSTSKLSKJIO-KURKYZTESA-N 275.480 4.787 30 10 CJEE C=CCC(CC=C)OCCCCCCCCCCCN 2360218762 XSZAPYYYZUOKNH-UHFFFAOYSA-N 281.484 4.993 30 10 CJEE CCn1c(/C=N/c2cccc3ccccc23)nc2ccccc21 5285529 UYIGIMYPDWDVPN-KGENOOAVSA-N 299.377 4.960 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 35149472 XLMXQXIOVCUNQK-CYBMUJFWSA-N 282.362 4.994 30 10 CJEE C[C@@H]1CC=CC[C@@H]1COc1ccc(C#N)c(C(F)(F)F)c1 36805625 WQUZCLSMQWYXQA-DGCLKSJQSA-N 295.304 4.558 30 10 CJEE C[C@H](C[C@@H](C#N)Nc1ccc(Cl)cc1)c1ccccc1 43535206 OKUMCLQBRTUOAP-DYVFJYSZSA-N 284.790 4.838 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1 54823536 BGIOEPLQHLKEPI-FZMZJTMJSA-N 282.309 4.590 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)Cc1ccco1 59434600 WPKSPWZEPAKQIG-HUUCEWRRSA-N 251.414 4.549 30 10 CJEE Cc1ccc(C(C)C)cc1OCc1ccccc1C#N 70133686 NAMJMKGYJYZREI-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE CC/C(=N/O)c1ccc(O[C@H]2CCC[C@@H](CC)C2)cc1 71150035 KXDSFWKJGZALMA-USHRDVSUSA-N 275.392 4.623 30 10 CJEE CCC1CCC(C#N)(Cc2cc(C)ccc2OC)CC1 87933701 NNZHGTSNEZHJQX-UHFFFAOYSA-N 271.404 4.656 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccccc2Cl)CC1 87940186 SIAWAAAXTFMGHO-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE CC1(C)CC(C#N)(Sc2ccc(Cl)cc2)C1 90244350 ZOZPAFXFRDMLOP-UHFFFAOYSA-N 251.782 4.514 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)c2cc(Cl)cs2)CC1 93097212 WCELKDZCAYGVKX-WPBUFGDCSA-N 297.851 4.791 30 10 CJEE Cc1ccc(CN(C)CC2(CS)CCCCCC2)cc1 94578819 YAOASRMAQKDVQW-UHFFFAOYSA-N 291.504 4.697 30 10 CJEE CC(C)c1cccc(OC[C@H](CS)c2ccccc2)c1 94582620 CTGQPHYPADBTGO-QGZVFWFLSA-N 286.440 4.902 30 10 CJEE CCC1(CC)CC(C#N)(Sc2cccc(F)c2)C1 97322655 PTSPRWZYIBZMEO-UHFFFAOYSA-N 263.381 4.780 30 10 CJEE CC(=O)c1cccc(/N=C/c2cccc3ccccc23)c1 101631136 OMHWMSJEBQHJAU-DEDYPNTBSA-N 273.335 4.793 30 10 CJEE N#Cc1c(F)cccc1Nc1cccc2ccccc12 105790382 IQNDQZXWIDONAQ-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(C)cc1)NCC 109739892 ABCZKNKDTVJANN-SFHVURJKSA-N 261.453 4.876 30 10 CJEE CCCCCCCO[C@@H](c1sccc1C)[C@H](N)CC 109987342 DNEDHZBBCTYOEB-HUUCEWRRSA-N 283.481 4.822 30 10 CJEE CCCCCCCCOC[C@@H](O)c1ccc(C)cc1C 110023285 XTSVKQHBLSXQIV-GOSISDBHSA-N 278.436 4.714 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccccc2C)C1 110263481 PAIDZCDOTGIQIT-YQVWRLOYSA-N 284.447 4.535 30 10 CJEE CN(CC1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110264144 SPYDNMPITATKCH-FGTMMUONSA-N 290.495 4.853 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)CC2CCCCC2)C1 110264158 ZGGOVHWMTRUVDT-RYQLBKOJSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCN(CC)C1(CN)CCC(C)CC1 110917152 RQTQUCOSSHTYLD-UHFFFAOYSA-N 296.543 4.967 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1C[C@@H]2CC[C@@H]1C2 111080737 PWQLDPNKHGJFLW-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCCCCCN[C@@H](C)CN 113846918 AJHWQBMRAFDEOI-KRWDZBQOSA-N 270.505 4.624 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCO1 114993751 ZOUGRJSKQKHFLT-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC1(Cc2ccccc2)CNC1 118884852 WJIZUYHFJZWKKT-UHFFFAOYSA-N 259.437 4.569 30 10 CJEE CCCCCCCCC(=O)[C@H](C)[C@@H](N)c1ccccc1 122805459 KANHRPWWKZGVPN-MAUKXSAKSA-N 275.436 4.642 30 10 CJEE CCCCC[C@H](C)Nc1cc(Br)ccc1C#N 123156235 IQRCUQQSTCHYRE-NSHDSACASA-N 295.224 4.701 30 10 CJEE Cc1ccc(Oc2cc(C#N)ccc2N)c(C(C)(C)C)c1 124509107 BTUCGDUFMNNYRW-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CN(c1ccccc1C#N)c1ccnc2cc(Cl)ccc12 128739961 IICMANNDTJJETF-UHFFFAOYSA-N 293.757 4.528 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1c(C)cc(Cl)cc1C 131341181 RNWZMLDXULTCQT-UHFFFAOYSA-N 299.757 4.823 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1cc(C)c(Cl)c(C)c1 131358263 JDPNHDCWKODAAM-UHFFFAOYSA-N 299.757 4.823 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCC(C)(C)C[C@H]2C)CC1 132204403 LPWBTNQEUMGYLU-JVGQSUMCSA-N 291.479 4.920 30 10 CJEE C[C@H]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 158343631 ZEGCOVNZGJZVEH-NWDGAFQWSA-N 296.336 4.815 30 10 CJEE CCCCCCCCNCc1ccc2c(c1)CC(C)(C)O2 159164629 PQDAWMYBCNIBGK-UHFFFAOYSA-N 289.463 4.850 30 10 CJEE CCCCCCC[C@H](Cc1ccc(CC)s1)NC 161226283 GZKZPLWVPJIVBC-CQSZACIVSA-N 267.482 4.802 30 10 CJEE COc1cc([C@@H](C#N)C2CCCCCC2)ccc1C 167858784 WWIPPDYIZKHDBV-INIZCTEOSA-N 257.377 4.581 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 168240486 QVBRAJWKDMUNQO-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE C=CCSCCNCc1sc2ccccc2c1Cl 222059865 ZRFVGFWDGUCDEX-UHFFFAOYSA-N 297.876 4.564 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC(C)(C)C2)C1 226432584 LKNYRMGEXXNTHP-ZACQAIPSSA-N 290.495 4.853 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccncc2)C1 227796811 AYTLEMXVAVANDZ-NFAWXSAZSA-N 274.433 4.528 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(Cl)ccc1F 229069885 HFBRDRPIWJBJIP-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc2sccc2s1 229756724 HXNHYUGQXSLIGU-NSHDSACASA-N 265.447 4.970 30 10 CJEE C=CCCCCCNC(C)(C)CCc1ccccc1 232526765 PKBZEHZVRJCOPG-UHFFFAOYSA-N 259.437 4.734 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(CCC)CCCN1 232938505 PDTYFHOCDDURQB-QGZVFWFLSA-N 267.457 4.619 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](NCCC)CCO1 232958608 RMPCJZSLNHLHMB-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccc(Cl)cn1 233124740 LYXPUYAFUXJCJG-HNNXBMFYSA-N 280.843 4.912 30 10 CJEE Cc1ccc([C@@H](C)Nc2cccc(C)c2C#N)c(C)c1 235251374 INUBDCCEUOLCRR-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE Cc1c(N=Cc2cccc3ccccc23)cccc1[N+](=O)[O-] 254310484 WKYWDBSILDBPBY-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE CSc1cc(CCCC#N)cc(Cl)c1SC 260549022 NDUVCKLMPIXXTJ-UHFFFAOYSA-N 271.838 4.630 30 10 CJEE O=C(C1=CCCCC1)c1ccccc1OCc1ccccc1 309876668 UIJCCMLZVKLXSF-UHFFFAOYSA-N 292.378 4.949 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCC2CCOCC2)CC1 313175150 JUVKWOXHWZXBAH-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccccc2Cl)C1 317365702 VICNQELKWQRZIL-CZUORRHYSA-N 264.796 4.668 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(C)cc(Cl)c1 388879118 IXTLMQAKDWPMTH-INIZCTEOSA-N 277.839 4.739 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C(F)(F)F)s1 394902820 DGGNBDZOJBHFNZ-SNVBAGLBSA-N 294.386 4.632 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCCCC1(F)F 397979842 LYLFMGJNGJITLQ-ZIAGYGMSSA-N 261.400 4.903 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H](CC)CC(F)(F)F 402560281 LCTUVOWBXZGHDA-GXTWGEPZSA-N 279.390 4.936 30 10 CJEE Cc1ccc(C[C@@](C)(C#N)c2ccccc2)c(Cl)c1 405686559 LWLNBGMBPYTIMW-KRWDZBQOSA-N 269.775 4.672 30 10 CJEE Cc1cc(CSCCCCC#N)ccc1Br 409858711 BJZVXVBERDJCNH-UHFFFAOYSA-N 298.249 4.685 30 10 CJEE N#CCc1ccc(-c2cc(Cl)cc(Cl)c2)nc1Cl 514263146 GPDSWFNZDTZKTG-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)F 575340736 BZKMUMFBFXDIOV-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2c(s1)CCCCC2 686690777 BBFRDAMSNRXSKV-INIZCTEOSA-N 289.488 4.861 30 10 CJEE C#CCCCCCC(=O)c1ccc(Cl)cc1Cl 686697097 MPKLGFQNXAAVRB-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE CCCCCCCCCCCCC(=O)C1CC(NC)C1 693624993 OAPQKLDPLSYDCC-UHFFFAOYSA-N 281.484 4.865 30 10 CJEE CC1(C)CCC(C#N)([C@@]2(O)CCC23CCCCC3)CC1 694393771 DXKMWZZEAHSQEO-GOSISDBHSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCC[C@@H](CNC)C1CCOCC1 696831328 LWFXZLBISKPBIG-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCCCNC1(COC)CC1 697524247 UADJQHMZWJGPJO-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CC[C@@](O)(c1ccc(Cl)c(Cl)c1)[C@@]1(C#N)CC1(C)C 702106300 AOMXINYAQJCEQP-HUUCEWRRSA-N 298.213 4.531 30 10 CJEE CCC[C@@H]1CCCCN(C[C@H](C#N)C2CCCCC2)C1 703254907 LEHDVDSGWQFVRM-AEFFLSMTSA-N 276.468 4.609 30 10 CJEE C[C@H](N(C)c1ccc(C#N)c(Cl)c1)[C@@]12CCCC[C@H]1C2 709269998 UGFAKWHCRBOYEF-JDFRZJQESA-N 288.822 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CSc2ccccc21 709356420 SOYMAFPCYSTMRV-VNQPRFMTSA-N 273.445 4.558 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(SC(F)F)c1 709683964 ACAIWMSFSBAERU-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ncc(Cl)cc1Cl 710555405 DRSBHGAAWGGKJP-LLVKDONJSA-N 293.625 4.572 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccccc2F)C1 711219593 RVOVVCKZEIIFED-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccc(Cl)cc1C(F)(F)F 715012247 YRVLTHCVTBLVOV-PELKAZGASA-N 278.701 4.604 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cccc(OCc2ccccc2)c1 715037172 QKMVNHISILOEQA-BEFAXECRSA-N 282.383 4.511 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](CC)C[C@H](C)S1 716935894 RVJTZQBLOZQJKD-MELADBBJSA-N 270.486 4.595 30 10 CJEE CCCCCCC[C@H](C)NCC1(C)CC(F)(F)C1 720973078 XERMELIDENXHGL-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE CCCCCCCc1nc(C(CC)(CC)C(=O)O)cs1 720984924 LBMJBCRQUCBGJN-UHFFFAOYSA-N 297.464 4.798 30 10 CJEE CC(C)N(Cc1ccoc1)CC1(CS)CCCCCC1 723754842 PCQQPZIJWYEHFN-UHFFFAOYSA-N 295.492 4.760 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@H](C)O[C@H](C)C1 724452263 HPAMIGPSTUPTNI-BJWYYQGGSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(Cl)c2C)CC1 724553384 RNEKMVGTOVSTBK-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2CC(C)(C)C2)CC1 724616132 IYGDNHRVNSGIST-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CC(=NNc1cccc2ncccc12)[C@H](C)c1ccccc1 746368963 KLDUKESBMAHAIR-AWEZNQCLSA-N 289.382 4.826 30 10 CJEE C=CC[C@H](OC(=O)C[C@@H]1CCC(F)(F)C1)c1ccccc1 797960742 BDPVSMVRPWLQFB-ZFWWWQNUSA-N 294.341 4.673 30 10 CJEE CC/C(=N\OCCCC#N)c1ccc(-c2ccccc2)cc1 821219732 RIOLDNKPOQCFJJ-XUTLUUPISA-N 292.382 4.788 30 10 CJEE C=CCCC[C@H](NCc1cc(C2CC2)no1)c1ccccc1 880390271 QBKRYZOWNPWRGL-SFHVURJKSA-N 296.414 4.739 30 10 CJEE C#Cc1cccc(N(CC)C(=O)[C@H](C)CCCCCC)c1 1125908141 NVHVGAMXIYWWKS-MRXNPFEDSA-N 285.431 4.627 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCCC(C)(C)C1)c1ccccc1 1128175019 YJDLUMCJMDNNKH-MSOLQXFVSA-N 299.458 4.821 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(Cl)c3ccccc23)C1 1196442177 OWYVSZBYOFBLDL-AWEZNQCLSA-N 285.818 4.891 30 10 CJEE C#Cc1ccc(CN2Cc3ccccc3-c3ccccc32)cc1 1206483576 DSAPPPPNUBNORD-UHFFFAOYSA-N 295.385 4.855 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCCC1(C)C 1265133789 XKQHMESUHXEEIS-QGZVFWFLSA-N 291.479 4.798 30 10 CJEE C=C(CC)CN1CCc2ccccc2[C@H]1Cc1ccccc1 1307586088 NAMRWBSCFCBGCM-OAQYLSRUSA-N 291.438 4.795 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@H](C)CC[C@H]2C)CCCC1 1308857173 JDTDRUXTVNVBJB-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCCCC(=O)NCc1ccc(-c2cccc(C)c2)cc1 1353982857 VDONZLXWJFBELC-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=CCCCCCCNC(=O)/C=C\Sc1ccccc1 1436190085 LGEIJRREEJKOMA-SQFISAMPSA-N 289.444 4.545 30 10 CJEE C=CC[C@H]1CCN1Cc1ccc(Cl)c2ccccc12 1460910371 VEBHHFNGIIQYPW-AWEZNQCLSA-N 271.791 4.644 30 10 CJEE C=CCC1(C(=O)Oc2ccc(C)c(Cl)c2)CCCC1 1460919787 GDWJDWOAWXAWED-UHFFFAOYSA-N 278.779 4.690 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(SC)c(Cl)c1 1465798758 IZKODIIMYMZZDV-SNVBAGLBSA-N 298.839 4.538 30 10 CJEE C=CCn1cc2ccc(NCc3cc(C)sc3C)cc2n1 1474278526 PCPFAYGNKYFLSX-UHFFFAOYSA-N 297.427 4.513 30 10 CJEE C=CCCCC(=O)NCc1cccc(-c2ccc(C)cc2)c1 1519269150 JQUVLCAPXVTWNF-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=CCCCCCCCCNC(=O)[C@]12CCCC[C@H]1C2 1524262067 HSKDBOIEKRJOOK-WMZOPIPTSA-N 277.452 4.600 30 10 CJEE C=CCC1(NC(=O)c2cc(C(C)(C)C)oc2C)CCCC1 1532276816 SBOVHRQWXDBKTQ-UHFFFAOYSA-N 289.419 4.504 30 10 CJEE C=CCCOCCCCC(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 1533843967 RDGUIDOCBGVSLN-HZPDHXFCSA-N 296.451 4.507 30 10 CJEE C=CC1(CC(=O)N[C@@H](CCC)C2CCC2)CCCCC1 1556980401 CXKANEXLUFFOIO-INIZCTEOSA-N 277.452 4.598 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccccc1SC(C)C 1588062950 GUBXSRAJNQOIOR-UHFFFAOYSA-N 291.460 4.519 30 10 CJEE C=CCCCN[C@@H]1CCCC[C@H](c2ccccc2)C1 1620924126 JMPKVRVRKPMTFS-ZWKOTPCHSA-N 257.421 4.659 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CCC(C(C)C)CC1 1621388717 SPCHFFARVUVZPQ-MHJFOBGBSA-N 285.475 4.978 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(F)c2SC)C1 1621435778 JOHYGRABARWWEB-VXGBXAGGSA-N 265.397 4.704 30 10 CJEE C=C[C@@H](C(=O)NC1CC(C)(C)CC(C)(C)C1)c1ccccc1 1624076418 NQHZHKRHCZBQIF-QGZVFWFLSA-N 299.458 4.677 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 1640688540 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279.468 4.581 30 10 CJEE C#Cc1ccc2c(ccn2CC(C)(C)C(F)(F)CC)c1 2295205488 UZWFHPLMFZZRMP-UHFFFAOYSA-N 275.342 4.694 30 10 CJEE O[C@H](C#Cc1ccccc1Cl)c1ccc2sccc2c1 2295219889 RSUJSMYCBHJWCC-MRXNPFEDSA-N 298.794 4.640 30 10 CJEE CCCCCCCCC[C@@](C)(CCO)C1(N)CCCC1 2295586799 BHKCMZDQVMJBLR-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE CCCCCCCCC[C@@](C)(OC[C@@H]1C[C@H]1C)C(=O)O 2295588320 GCKBGRRVSVMDFF-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1cc(C)co1 2295600054 YTVLXQDOZMJAGN-KRWDZBQOSA-N 280.408 4.662 30 10 CJEE CCCCCCCCC[C@H](C)NCCCc1nncs1 2295674948 WSCRIPBRVHLIBU-HNNXBMFYSA-N 297.512 4.590 30 10 CJEE CCCCCCS[C@@H]1C[C@H](C)C[C@](C#N)(NC(C)C)C1 2295693552 HHHCGHRPOURQTR-BBWFWOEESA-N 296.524 4.749 30 10 CJEE CSc1ccc(C(=O)C=Cc2ccccc2Cl)cc1 2297466645 CWZSALSXZKSLRA-UHFFFAOYSA-N 288.799 4.958 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc(Cl)c(Cl)c1 2298823701 FTFNASXAGCZLIZ-NOZJJQNGSA-N 290.259 4.691 30 10 CJEE CCCCCCCCN1C[C@@H](SC)CC1(C)C 2298991344 QOUBKFVZIRBFDX-AWEZNQCLSA-N 257.487 4.563 30 10 CJEE C[C@@H]1CCC[C@H]1[C@@H](C#N)c1ccc(Cl)c(F)c1 2300102094 OENCLRMOZHKVRZ-JLLWLGSASA-N 251.732 4.522 30 10 CJEE CCN[C@@H](C#CC1CCC1)c1cc(Cl)c(Cl)s1 2300407876 VSPMTWJQRGBJFE-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(Cl)c1 2304035649 ODLHLHPBZALNSX-LSDHHAIUSA-N 251.801 4.593 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)c(C)s1 2304040450 GHVIYWFZOACDHO-CQSZACIVSA-N 251.439 4.618 30 10 CJEE C=CC[C@@H](CC)NCc1cc(F)c(Cl)cc1Cl 2306197761 SXSQZBKAHJEBHG-SNVBAGLBSA-N 276.182 4.577 30 10 CJEE CC(C)C[C@@H](CS)CSc1ccc(F)cc1F 2308067774 BSYAKOCZTVNOMP-JTQLQIEISA-N 276.417 4.649 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2C[C@H]12 2308617378 XULCVXIAMABEBC-QZWWFDLISA-N 252.442 4.924 30 10 CJEE SCC1(COCCCC2=CCCCC2)CCCC1 2318485201 AXMIUTUIFBGKPN-UHFFFAOYSA-N 268.466 4.774 30 10 CJEE CCCCCCCCCCNN(CCC)CCC 2318664014 SPQYXFCNRAGKKW-UHFFFAOYSA-N 256.478 4.754 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2320208639 LKBRYKSMUMOYRY-JKSUJKDBSA-N 251.458 4.737 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1csc(CC)c1 2321137694 MEYBDWWBUWXAEZ-HNNXBMFYSA-N 265.466 4.954 30 10 CJEE CCCOc1ccccc1C=CC(=O)c1ccc(F)c(C)c1 2322624176 JNBURDCBRKMWAB-UHFFFAOYSA-N 298.357 4.819 30 10 CJEE CCc1ccc(OC[C@](C)(CS)C(C)(C)C)cc1 2327165393 JILKIRFPCNEXIW-MRXNPFEDSA-N 266.450 4.610 30 10 CJEE CSc1cc(N[C@H](C)c2ccsc2)ccc1C#N 2328525530 KEADWAXLLBDDOO-SNVBAGLBSA-N 274.414 4.515 30 10 CJEE O=C(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)C1=CCCCCC1 2329799013 QVNORHJQWHIKAM-YUTCNCBUSA-N 268.347 4.518 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(C)cc1 2335200980 PYQBRANGWCEJHP-KRWDZBQOSA-N 275.461 4.510 30 10 CJEE CCCCCCCCOc1cc(Cl)c(F)cc1CO 2337224884 FNQPAJLPRLMNPF-UHFFFAOYSA-N 288.790 4.711 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2338733192 PTTLJIIRISLFTK-SPUZQDLCSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338742347 VKXJCWLTMDGCAZ-FJIDUMEYSA-N 261.453 4.689 30 10 CJEE C=CC[C@H]1CCCCN1C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338931452 AKJKKVCPEJRNRN-XSLAGTTESA-N 261.453 4.633 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2COCC2(C)C)CC1 2338942644 AWCBYWNCFHSCSP-WMLDXEAASA-N 263.425 4.549 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C[C@H]2CC[C@H]1C2 2339242078 CUHZILKSIAOJBL-SUMCQTLJSA-N 255.405 4.699 30 10 CJEE C=CCCCCCCCCN(C)CCCCCOC 2342768966 XRNNYQZQENSTPJ-UHFFFAOYSA-N 269.473 4.652 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2343144342 ZCFGBPFXFIBRJW-BRWVUGGUSA-N 263.469 4.805 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C)cc1F 2344345565 WYYPHMMWRBDZET-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCCC(F)(F)C1)NC 2344347542 CJNAMIOJTRPVGM-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@]1(C)CCCCC1(F)F 2344349499 SZSLVTHYLNIXHH-SOUVJXGZSA-N 273.411 4.912 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1C[C@H]1C1CCCC1)NCCC 2344356394 MGNADBPMLZCYQU-LAVFITLUSA-N 263.469 4.783 30 10 CJEE C[C@@H]1CN(C[C@](C)(CS)C(C)(C)C)c2ccccc21 2352081000 MQIAWACCIOQQMR-CXAGYDPISA-N 277.477 4.592 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)CC[C@@H]2CC[C@@H]21 2353984801 QFDAITHHYZAYLR-XYJFISCASA-N 280.452 4.637 30 10 CJEE CCCCCCCCCCO[C@]1(C)C[C@@H]2C[C@H]1C[C@@H]2N 2355703839 JODIJDIFJMGOOT-XLAORIBOSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2OC 2358948703 ZQXBLYLGNMZPEE-ATIWLJMLSA-N 281.484 4.529 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2359313927 YTHNXNQAKIZRPF-LULLPPNCSA-N 269.432 4.504 30 10 CJEE O[C@@H](CC#CC1CCCC1)[C@@H]1C[C@H]1C1CCCCCC1 2359900647 HACXYSXTWIWHNL-OTWHNJEPSA-N 274.448 4.538 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1CN 2360362096 CSXJCAZLHLAEFG-DZOHQFGASA-N 289.488 4.595 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC1(F)F)OCCN 2360452676 KFGCJFSOIQUPMA-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE Cc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14458306 PYGSQIYNWCXQEZ-SQGPQFPESA-N 286.378 4.693 30 10 CJEE C[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334032 NZHLGTSUAHBVDF-MFKMUULPSA-N 283.293 4.535 30 10 CJEE C=CCSc1ccccc1NCc1ccccc1OCC 37496221 VRRYJANJSGZJOO-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1 37938912 NIEPOGUZMLIGNQ-CQSZACIVSA-N 294.251 4.521 30 10 CJEE N#C[C@H]1CCCC[C@H]1Nc1ccc(-c2ccccc2)cc1 54829088 DTBBYGYZRIEZBZ-IEBWSBKVSA-N 276.383 4.848 30 10 CJEE C(=N/c1ccccn1)\c1c(-c2ccccc2)[nH]c2ccccc12 59502731 GUWOCGFUXBHEPR-HYARGMPZSA-N 297.361 4.981 30 10 CJEE CC(C)n1nc(C2CCCCC2)c2c1CCC[C@H]2CC#N 82825844 BERFMYVBCOUSHF-AWEZNQCLSA-N 285.435 4.845 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2C#N)CC[C@H]1C 85017951 OYVAGOVETOHFQT-UHIISALHSA-N 297.320 4.781 30 10 CJEE C#CCC[C@@H](NCCC)C1CCC(C(C)(C)C)CC1 87988124 WUEWSXLVDMTZIB-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2cccc(Cl)c2)CC1 91877740 UHBGERXQVBRTGY-BLDCVEFLSA-N 291.822 4.658 30 10 CJEE CCCC[C@H](CC)COC[C@H](CS)c1ccccc1 94584030 SGZPYJFQWAVIOU-DOTOQJQBSA-N 280.477 4.933 30 10 CJEE Cc1ccc(Cl)cc1OC[C@H](CS)c1ccccc1 94585987 QRJWHSVODFMTKY-CQSZACIVSA-N 292.831 4.741 30 10 CJEE CC(C)CC1(CN[C@@H](CC#N)c2ccccc2)CCCC1 94879254 BFJWALSCMXSVOG-SFHVURJKSA-N 284.447 4.837 30 10 CJEE N#C[C@]1(Nc2ccccc2)CCCC[C@@H]1c1ccccc1 97898368 RTFWWBGWLQXIJT-RTBURBONSA-N 276.383 4.719 30 10 CJEE CCCCCCCCN[C@H](C)c1nc2ccccc2[nH]1 105839573 NMIFWKRXQSSDLQ-CQSZACIVSA-N 273.424 4.574 30 10 CJEE C#CC[C@@H](CCC)c1cc(C(F)(F)F)ccc1OC 107474197 SFFYAYPANZGADZ-NSHDSACASA-N 270.294 4.621 30 10 CJEE CCCCCCCc1nc(C(C)C)n(C(C)(C)C)c1N 110055749 ZILHQTHJXBZRDM-UHFFFAOYSA-N 279.472 4.857 30 10 CJEE CCCCCCCCO[C@H]1CCCCC[C@@H]1NCC 110070253 GYHIRZNEQULHRD-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE Cc1ccc(C)c(Nc2cc(Cl)ccc2C#N)c1 110252750 HTYBDXUHEGGKRF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(C#N)c(C(F)(F)F)c2)C1 110255259 RKGRICUMTRMXRA-AAEUAGOBSA-N 296.336 4.592 30 10 CJEE CCCCCCC[C@@H](CNC)Cc1ccc(F)cc1 110917351 BPADNSAMQXTNPS-MRXNPFEDSA-N 265.416 4.564 30 10 CJEE CCCCCCCCCCCCN(C)CCNCCC 113079102 MHXOJDRYIHYWHV-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE CC[C@@H](C1CCCCC1)n1c(S)nc2c(C#N)cccc21 126058719 ORKGNMUKMZJKDY-AWEZNQCLSA-N 299.443 4.728 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1cccc(SC)c1C#N 127017755 OSVJADUQGMDMTI-JSGCOSHPSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccoc1C 132693010 UIQWROGIGYPIHX-INIZCTEOSA-N 251.414 4.989 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(C)nn1CC 135556403 BDQBECMXMLRBCP-KRWDZBQOSA-N 280.456 4.776 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC(C)(C)C[C@@H]2C)cc1 156056045 ZISZSKWLHSAWND-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@H](Cc1ccn(C(C)C)n1)NC 168576252 POXWBNCYJGPHNE-QGZVFWFLSA-N 293.499 4.735 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1nc(C(C)C)cs1 177757395 ZPAVUMVAKYUIOO-ZDUSSCGKSA-N 292.448 4.803 30 10 CJEE CCC[C@@H]1CCCCN1CC1(CS)CCCCCC1 213619557 YCSOGHCXBNFKCZ-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3ccccc3o2)C1 222258277 BGNAZHZHLQTLBY-XUJVJEKNSA-N 286.400 4.638 30 10 CJEE CCCC[C@@H](CCC)N[C@@H](C)c1cccc(C#N)c1 225978014 LBHDFXJJASVJST-WMLDXEAASA-N 258.409 4.568 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C1 226200233 VBRUVFZFJYKCMB-MJVIPROJSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCC[C@H](O)CCOCC(F)F 232083083 FDDVJSFMVJZCBB-AWEZNQCLSA-N 280.399 4.550 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(Br)s1 232479810 WXZJAQREIUSIOG-UHFFFAOYSA-N 299.233 4.974 30 10 CJEE CC(C)CCN(CCC(C)C)[C@H]1CCCCC[C@@H]1C#N 232552223 KUNKCJOGSUGVPE-MSOLQXFVSA-N 278.484 4.853 30 10 CJEE CC(C)COCCC1(C#N)CCC(C(C)(C)C)CC1 232602977 AFWWWZIFOVYISQ-UHFFFAOYSA-N 265.441 4.795 30 10 CJEE C=CCCCCC[C@H](NC)[C@]1(OCC)CCC[C@@H](C)C1 233757983 IFLJVQZUHOQKFJ-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C)cc1Br 235815389 ALMLMNOGGAVVDL-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE CCCCCCCCCN1C[C@H](CC(C)C)NCC[C@H]1C 250818292 KANDZXPODHTCOD-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@]1(CNC(C)C)C[C@@H]2C[C@@H]2C1 250839888 XAOYRACXQVBOFK-FVQHAEBGSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1C[C@@H]2C[C@@H]2C1 252896939 CIYQZXRRVGCWCC-YYIAUSFCSA-N 252.442 4.924 30 10 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C=C(c1ccccc1)[C@H](O)[C@@H](c1ccccc1)C(C)C 2197148412 OVVUESBHAYSCQJ-MOPGFXCFSA-N 266.384 4.501 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2C[C@@]23CCOC3)CC1 2198343259 YMYAPUKWUVEQSO-XPJGSDBHSA-N 275.436 4.549 30 10 CJEE C=C1CC([C@H](C[C@H]2C[C@H]2c2ccccc2)NCCC)C1 2200374332 USAVRGBCXNIRRQ-NEWSRXKRSA-N 269.432 4.515 30 10 CJEE CCC[C@@H]1C[C@H]1[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2200486190 CKNICOZPVRCUDS-MYPHYYIGSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C=C1CCC1)NCC 2200697784 VPYUMWSFDXTMQL-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@](C)(F)C(C)(C)F 2203818479 GGRIIJZRDGEYAG-WBVHZDCISA-N 287.438 4.805 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1CC(C2CCC2)C1 2203822874 LQTFPZWEHUCSIQ-CTWPCTMYSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@](C)(O)c1nnc(C2CCCC2)s1 2204774860 ZGIFFTISOYPJSW-MRXNPFEDSA-N 296.480 4.764 30 10 CJEE C=CCCCCCC[C@@H](NCC)C1(COC)CCCC1 2206897912 OWQNROKCTOKIBF-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](CC(C)(C)N)NCCC 2207395394 DFCZJTJEJIDBDA-KRWDZBQOSA-N 282.516 4.789 30 10 CJEE C=CCCCCCCCCCn1cc(C(C)=O)nc1C 2207403880 QNRLAAXLBKQVGK-UHFFFAOYSA-N 276.424 4.701 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C[C@H](OC)C12CCC2 2207412494 WSIVYTZQBKNDAS-FUHWJXTLSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCN1CCCC[C@@H]1CC(C)=O 2207433250 XZERCWOXSUBKTQ-GOSISDBHSA-N 279.468 4.737 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CCC1(C)C 2207440148 XCCCWTKICSVNKB-IRXDYDNUSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCOC1(CNC)CCCCC1 2207440854 ZEBYPXGFMCHKOR-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE CCCN[C@](C#N)(CS[C@@H](C)CC)C1CCCCCC1 2208096909 GAFXOBNFRZZIMM-DOTOQJQBSA-N 296.524 4.750 30 10 CJEE C=C[C@@](N)(c1cc(Cl)c(Cl)c(Cl)c1)C(C)C 2210133880 VUBROLVZMHIGKH-LBPRGKRZSA-N 278.610 4.643 30 10 CJEE N#C[C@@H](c1cc(Cl)ccc1Cl)C1CCCC1 2210479596 GUTIRUJAQDYKMB-GFCCVEGCSA-N 254.160 4.791 30 10 CJEE C=C(CC)CN[C@H](C)c1cc(Cl)cc(Cl)c1 2212050679 GNIGRSZZJXAORQ-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@]1(C)CC=C(C)CC1 2215815281 GONQQROPIBLKNO-LSDHHAIUSA-N 255.833 4.634 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CC[C@H](F)C1 2220090319 BPSWOSXZURPEQX-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCCCCC)C(C)(C)C 2223851311 VUSQDWPTEVOHJI-JKSUJKDBSA-N 251.458 4.763 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](F)C1 2223869193 ZWDCYIAGFHZHPY-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)cc(C=O)c1 2223951467 LWGCJHOWKXOFEG-CQSZACIVSA-N 266.768 4.666 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C1CC1 2225676276 YDINNSPPLHNUHB-TVQRCGJNSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]12CCC[C@H]1CSC2 2227289243 SOBSUEDBNVNNFS-ULQDDVLXSA-N 282.493 4.797 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(OC)c1 2227590358 UNBVQDBZHHURMG-OLZOCXBDSA-N 281.827 4.744 30 10 CJEE N#C[C@]1(CCCCCCCC2CC2)CCCOCC1 2230947774 CWNOPZJEDOGDFD-QGZVFWFLSA-N 263.425 4.838 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@@H](CC)NCC 2231015528 JLMFKLRQQYNERC-DLBZAZTESA-N 271.489 4.920 30 10 CJEE C=CC[C@H](C)Oc1c(C)sc(CN[C@@H](C)CC)c1C 2231435618 WVGAGNILFQJFKZ-RYUDHWBXSA-N 281.465 4.596 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H](CC)CC(F)(F)F 2231493735 VZILFLRBFSISDJ-TZMCWYRMSA-N 277.374 4.690 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(F)ccc1Cl 2231540004 WQZVCEZEKCRZLA-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncc(C)cc1C 2231897564 DDNIGNATAMOTAG-KRWDZBQOSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2231899547 LPFLSAGVKHYQSE-LXTVHRRPSA-N 273.411 4.746 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ncc(C)cc1C 2231900981 HHKZDPAJTARUOZ-QGZVFWFLSA-N 263.425 4.657 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1ccc2occc2c1 2232402373 VSJJTWWWYFVFNY-KRWDZBQOSA-N 253.345 4.695 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC(F)(F)C1 2233697776 NYBQMQKIJHQNSQ-FZKCQIBNSA-N 284.390 4.988 30 10 CJEE C=CCCCCCCCCO[C@@](CC)(C(=O)O)C(C)C 2234035937 MYVAVXXRGMFVOK-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE N#Cc1cc(F)c(NCC2(C3CC3)CC=CC2)cc1Cl 2234712957 VVNUDXNCHDLGEC-UHFFFAOYSA-N 290.769 4.509 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CCC[C@@H](C)O1 2235218861 XDGOSDRQSFLMMZ-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](O)C(CC)CC 2235523137 BSKDDNIOUCRRTB-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@H](NN)C1CC[C@H]2C[C@@H]2CC1 2235542902 XMIMOYYUZNQXOD-BZSNNMDCSA-N 278.484 4.561 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CC(CC)(CC)CC[C@H]1N 2239492347 JFGPMXRDROBIOI-ZACQAIPSSA-N 281.484 4.824 30 10 CJEE CCCCCCCCCCOC[C@H](NCC)C1(F)CC1 2239493170 QDJZMLCOZFJRGI-INIZCTEOSA-N 287.463 4.624 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(F)c(OC)c1 2240610184 LRMMHSCCELPALW-KRWDZBQOSA-N 281.415 4.759 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C1=CC[C@H](C)CC1 2240637253 GQAUZGCZZYYFLK-MAUKXSAKSA-N 280.452 4.804 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)c1ccc(C)cc1 2240656437 GSTNJDDISFETLN-GOSISDBHSA-N 276.420 4.679 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H](C)c1ccc(C)cc1 2240811313 ZPFSKYSVSZTDEK-FUHWJXTLSA-N 271.448 4.516 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1cccc2ccoc12 2241139951 ZSVSCEFYWZJGNI-CABCVRRESA-N 271.404 4.556 30 10 CJEE C=C(C)CCCC[C@H](CCCOCc1ccccc1)NC 2241950382 MMGATGJSPBBFLD-LJQANCHMSA-N 289.463 4.708 30 10 CJEE C=C(C)CCCC[C@]1(O)CCC[C@@H]2CCCC[C@H]21 2259190013 IEHNYFVCCRINQA-BBWFWOEESA-N 250.426 4.844 30 10 CJEE C=C(C)CCCCN[C@@H](C)C1CCC(F)(F)CC1 2259192524 HHRYEOLBHPTFQB-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 2259205612 HQTSDGQBCOUQSF-OLZOCXBDSA-N 264.331 4.607 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCCC[C@@H]1C 2259236506 CVGVOHMCQHRWFF-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=CC1(NCC[C@H](C)CCCC(C)C)CCCC1 2259648016 NZILLDBYBLBRQZ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCSC[C@@H]1NCC[C@@H]1C 2260368146 MISKXOQGTUPAIC-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CC(F)(F)C23CCC3)C1 2266258683 BXBHZEMMCSEXBW-RDBSUJKOSA-N 267.363 4.922 30 10 CJEE CCCc1ccc(C[C@]2(C#N)CCC[C@@H](C)C2)cc1 2268243564 PNAFSDRVRXIJDC-QAPCUYQASA-N 255.405 4.902 30 10 CJEE CC[C@H](NCC=CC#CC(C)(C)C)C1CCCCC1 2268759804 WJWSFISSZWPJBB-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE C=CC[C@@H]1CCCCN(CCCCC[C@@H]2C[C@@H]2C)C1 2269443878 PCZIZBIQHYCKSB-RCCFBDPRSA-N 263.469 4.881 30 10 CJEE CCCCCCC[C@@H](O)c1c(C)cc(OC)cc1C 2269641147 WXCNDQQMNQBBPR-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE C=CCCC[C@H](C[C@H]1CCC[C@@H]1C(F)F)NCCC 2270077428 PJYDWASZMQNPAW-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CCCCCCCC=C1[C@H]2CCC[C@H]1CC(N)C2 2270290942 AXLAJYQSMLRDGL-PYNWJHIZSA-N 261.453 4.977 30 10 CJEE CC[C@@](C=O)(CCCCCCCCCCO)C(C)C 2271229459 LUXMHPVHTXMJES-KRWDZBQOSA-N 270.457 4.741 30 10 CJEE CO[C@H](CS[C@@H]1CCCCC[C@H]1C#N)CC(C)(C)C 2271685560 YTNVLZLRXSMXFZ-SOUVJXGZSA-N 283.481 4.643 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCCC(C)(C)C1 2271710217 HDVBCBSHBIKEOJ-RHSMWYFYSA-N 265.441 4.938 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(C(C)(C)C)ccn1 2271784076 BPQDEEYVEIQICM-HNNXBMFYSA-N 260.425 4.515 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](OCC)C(C)C 2271834463 FRHDXNIJYHPDLQ-DLBZAZTESA-N 269.473 4.552 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCC[C@H](C)C2)c(F)c1F 2274091456 MLFOIZCEOSVHGJ-ZBEGNZNMSA-N 263.331 4.536 30 10 CJEE C=CCCCCCCC[C@](C)(CC)OCCC(=O)O 2275534232 BGUDCTSKRJLUFV-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=C(C)C[C@@](C)(CCCCCCCC)OCCCN 2277096218 UPQFQRFQFFRYEL-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCC#CC[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277880235 YYZVSKOLSSRHKT-LLVKDONJSA-N 289.366 4.529 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@]12CC2(F)F 2278234744 AMGPUMLZXVZMDB-KKUMJFAQSA-N 273.411 4.903 30 10 CJEE CCCCCCCCC[C@H](C)NCC(C)(C)[C@@H](C)O 2278241595 FBJFKTUGHCXNLU-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCCCC12CC2)NN 2279564871 XDMWFWUEOQOKCK-DLBZAZTESA-N 280.500 4.929 30 10 CJEE C=CCCCCCOc1ccc(CNC(C)C)c(C)c1 2282943413 CLHFDHYYHFJROG-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE N#CC1([C@H](O)c2cc(F)ccc2Cl)CCCCCCC1 2283345335 DAPSFKKTZDUTFP-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(CCC)cc1 2283537617 NYULJLIVVUTWAI-APWZRJJASA-N 273.464 4.762 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCCC1(C)C 2284099174 PWMNRADPEWOBPE-SJORKVTESA-N 275.480 4.787 30 10 CJEE C=CCCCCCC[C@H](O)c1c(C)cc(OC)cc1C 2286484511 XZQBYWCGIJDLCQ-KRWDZBQOSA-N 276.420 4.872 30 10 CJEE C=CCCCCCCCSC[C@H](C(=N)N)C1CCCC1 2287096297 JLMURSQQUODACE-INIZCTEOSA-N 296.524 4.989 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](COC)C(=O)C1 2287101924 ULYHXLPAWRJIKG-JKSUJKDBSA-N 298.492 4.630 30 10 CJEE C=CCCCCCCCSc1ccc(CO)c(OC)c1 2287179974 YHBHVKGOBFCXBR-UHFFFAOYSA-N 294.460 4.806 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccncc1CC 2287467274 MUHZLNPRVYVWNY-GOSISDBHSA-N 274.452 4.821 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@H]1CC2 2289013446 NBTLKSFVZJIFBY-OKZBNKHCSA-N 280.500 4.929 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CC[C@H](CC)C1 2289701935 AIGNEWVDKVWZJB-QXAKKESOSA-N 275.480 4.765 30 10 CJEE CCNCC1(CC#CC2CCCC2)CCC(CC)CC1 2289924249 ILIOUTABGMRFGS-UHFFFAOYSA-N 275.480 4.766 30 10 CJEE CCCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H](C)C1 2291703156 NHRNCZAVABIKGM-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C(F)C[C@H](CCCCCCCCC)OCCC(=O)O 2292405996 NHDIEJFTVHTMHB-HNNXBMFYSA-N 288.403 4.860 30 10 CJEE CCCCCCC[C@@](C)(CCCCC(F)F)OCCN 2292692830 GACYHWZRTITQKV-INIZCTEOSA-N 293.442 4.906 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H](C)C1CCC1 2292775817 GQBOXYXGHRWUSH-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=C1C[C@@H]1C[C@@](C)(CCCCCCCC)OCCCN 2293126572 MNVUEZRSLOFRBF-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)cc(F)c1 2293280579 MENPAQJMPUEMDQ-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@H]1CC1(F)F 2293504797 NTFHPRFRIYELED-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@@H](CCC1CC(F)C1)OCCCN 2293853533 ARLYMOGKDPSEDL-JCYILVPMSA-N 287.463 4.609 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CC(C)(C)C1(C)C 2294019375 WKHHEBPFVPZKOO-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCCCN)C(F)F 2294020941 KVAKNUCIYHXLBO-MRXNPFEDSA-N 291.426 4.682 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)OCCCN 2294111068 MYSXCQNXVSMVPO-KSZLIROESA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CCCC2(CC2)C1 2294361838 LQQBOKCYVYSDNC-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1CC 2294452324 ITUMTESNLPRGKS-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc3cc(Cl)ccc3n2)C1 2294977303 SJWJIIXZLQVASO-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](C)[C@H](N)[C@H]1C 2295540316 FIZAFYWXOGPLHS-FJIDUMEYSA-N 282.516 4.573 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H]1CC[C@@H]1C 2295596657 MODNTGSTDYTCFL-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)SCc1nc(Cl)cc(Cl)n1 2298916166 PTZFZBOXZOQNQF-UHFFFAOYSA-N 289.231 4.537 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc2sccc2s1 2301060772 QRRRXROPNFFCFF-AWEZNQCLSA-N 263.431 4.731 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1cc(Cl)sc1Cl)C2 2306972714 RXFDNWFTYIIXOU-SWZMTVOYSA-N 288.243 4.595 30 10 CJEE CCC1CCC(OC[C@H](CS)CC(C)C)CC1 2308055706 GJEIAGITCAVSKQ-SHARSMKWSA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NCC 2310387998 RVCGUXOMSUEBFX-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CCCCC[C@@H](C[C@H]1CCC1(F)F)NCCC 2313734279 WVQYSUSPWHZCIW-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C([C@H](NC)c1ccc(Cl)c(Cl)c1C)C(F)(F)F 2316945788 PETYBJRFJNSING-NSHDSACASA-N 298.135 4.681 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@H]1CCCC[C@H]1CC 2321107092 DCCIYKQXMFERID-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(C)c1Cl 2321109467 YTKOYVWRBBZWHZ-HOTGVXAUSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCCC1CC1)NC 2321117198 MSWJPEMJSGHGCX-SJORKVTESA-N 251.458 4.927 30 10 CJEE CC1(C)CC[C@@H](CC[C@]2(C#N)CCC(F)(F)C2)C1 2321630929 LHHQLXNAGCFFEP-JSGCOSHPSA-N 255.352 4.922 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CC[C@@]2(C)C[C@@H]12 2331619471 BXMTWIUBJLWRNB-ULQDDVLXSA-N 283.525 4.767 30 10 CJEE CCC#CCC(O)(C1CCCCC1)C1CCCCC1 2338421572 JRLJQVHAZYBABP-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE C=CCC(CC=C)C[C@@H](CNCC)c1ccccc1 2338724342 GOPYDDGJKNZGKA-SFHVURJKSA-N 257.421 4.538 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CCC2(CC1)CC2 2338733242 QMUIPTMDUUWQFP-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CC12CCCCC2 2338750338 RGUBDMSRZKVGEO-SJORKVTESA-N 261.453 4.703 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2339044381 IVDNONGIXAFSTE-RSJGLCBASA-N 262.437 4.988 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1cc(F)cc(Cl)c1 2339908505 OIMHYHNEBUKPGM-NSHDSACASA-N 273.738 4.634 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccccc2C2CC2)C1 2341682449 RBFKLZQARSXFDX-KBXCAEBGSA-N 256.389 4.502 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccccc1C1CC1 2341695287 FQYVRUPKKCUSTN-KDOFPFPSSA-N 256.389 4.502 30 10 CJEE CC1CCC(C#N)(Cc2ccccc2C2CC2)CC1 2341745682 XXUZGWAJPUIFNW-UHFFFAOYSA-N 253.389 4.827 30 10 CJEE C=C1C[C@H]1[C@@H](CCCCCCCCCCCC)NN 2341898495 SCFPCBHNHOUEBS-IAGOWNOFSA-N 266.473 4.705 30 10 CJEE CC#CCCC[C@H](NCC)c1cccc(C(C)C)c1 2343602860 FKGGIWQGBLTPHL-SFHVURJKSA-N 257.421 4.654 30 10 CJEE CCCCC#CC[C@@H](O)c1cccc(C2CCC2)c1 2343780714 HXNLWYAWFORYSG-GOSISDBHSA-N 256.389 4.571 30 10 CJEE 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30 10 CJEE C=C(CC)C[C@H](N)c1cccc(OCc2ccccc2)c1 97284156 BJNVLHQZPQWUCZ-IBGZPJMESA-N 281.399 4.622 30 10 CJEE CCCc1nc(-c2ccc(Cl)c(Cl)c2)sc1C#N 98113727 WGGJGOGKIRTYGU-UHFFFAOYSA-N 297.210 4.941 30 10 CJEE Cc1ccc(-c2csc(/N=C/c3cccs3)n2)cc1 100135714 WRAMZIHFHDLIHD-CXUHLZMHSA-N 284.409 4.931 30 10 CJEE CCCCCCCCO[C@H](c1cccc(F)c1)[C@@H](N)CC 109988781 IVBPVCPZRJULMK-ZWKOTPCHSA-N 295.442 4.981 30 10 CJEE CCCCCCCCCCCCN(CC)CCC(=O)OC 110044056 XYHYOAMFBGXXNU-UHFFFAOYSA-N 299.499 4.792 30 10 CJEE CCCCCCCO[C@@H](CNC(C)C)c1ccc(F)cc1 110067870 NITIBSARSKSNOS-SFHVURJKSA-N 295.442 4.852 30 10 CJEE CCCCCCCCCNc1ccc(F)c(C#N)c1 110168116 ALGYCARAWAVMCO-UHFFFAOYSA-N 262.372 4.860 30 10 CJEE CCCCCCCOCc1cc(C)c(CNC(C)(C)C)o1 110170276 PDMZQSMYLBNZQQ-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE CCCCCCCCCCN[C@H](C)CN1CCCCC1 113012501 JAQRAXPSCYPDJN-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1CC(C)C 114063275 KAAOFNOWEZPUFL-ZWKOTPCHSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCCCCSC[C@@H](C)N 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30 10 CJEE Cc1occc1SCC1(CS)CCCCC1 235812403 LFPHMFNMZDNBDS-UHFFFAOYSA-N 256.436 4.560 30 10 CJEE C=CCCCCCC(=O)CSc1ccc(F)cc1 236154897 JVZPFXVHZDVDEI-UHFFFAOYSA-N 266.381 4.623 30 10 CJEE O=C(CSc1cccc(F)c1)C1=CCCCCCC1 236223024 MUUISHVSJSEXGK-UHFFFAOYSA-N 278.392 4.768 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCC[C@H]1CN 250796669 AZLVYQDOEHWQPQ-OALUTQOASA-N 296.543 4.967 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H]2CC[C@H]1O2 250837881 WBBIFLLRVSCDEJ-FGTMMUONSA-N 281.484 4.817 30 10 CJEE Cc1cccc(NCCCCC(C)(C)C#N)c1Cl 306040058 YNBTYRJSLUQCFT-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE C[C@@]1(c2cc(Cl)sc2Cl)CCC[C@@H](CC#N)O1 310093300 KIGUYNUWFQEGAI-UFBFGSQYSA-N 290.215 4.753 30 10 CJEE N#Cc1ccc2c(ccn2[C@@H]2C=CCCCCC2)c1 311355431 XYCQDNANMQKCEE-MRXNPFEDSA-N 250.345 4.574 30 10 CJEE C=C([C@H](NCCC)[C@H]1CCCCC1(C)C)C(F)(F)F 311503642 MDVKAXFIFQEECY-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H](CC)c1ccccc1 312249890 VLYYLBAXNJUSKE-QZTJIDSGSA-N 271.448 4.598 30 10 CJEE CC[C@@H]1CC[C@@](C=O)([C@@H]2CCOC3(CCCCC3)C2)C1 316758949 IUUMMSGCWSPDBK-BRWVUGGUSA-N 278.436 4.511 30 10 CJEE CCC1CCC(C=O)(Cc2cc(C)cc(C)c2)CC1 317254475 PJBLPGPJAIOASJ-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE CC[C@@H](C1CCC1)N(C)CC1(CS)CCCCCC1 325735286 WXVRJVWPZNYYEA-INIZCTEOSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 381852966 YILXBIUUMVYZNM-IAGOWNOFSA-N 295.426 4.881 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCCC1(F)F)NN 381984253 WVMCCEHCKCYELD-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CCCCCCC[C@@]1(C)CCC[C@H](CNC(C)C)O1 382375217 NPCIVNAXVUQMOQ-SJORKVTESA-N 269.473 4.673 30 10 CJEE C=CCSCc1cc(Cl)ccc1Br 388920521 RNMNESXQNNQNSQ-UHFFFAOYSA-N 277.614 4.522 30 10 CJEE CC(C)CCCCCC1(C#N)Cc2ccccc2C1 394808845 IYARGLYDATXHRS-UHFFFAOYSA-N 255.405 4.902 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c(C)cc1F 395967914 KYZYAODAQIHCGC-INIZCTEOSA-N 252.373 4.836 30 10 CJEE C[C@@H]1CN(CCCCCCCCCS)[C@H](C)[C@H]1C 399499796 HDBCQLMUZGHBFN-OWCLPIDISA-N 271.514 4.623 30 10 CJEE CCCCCCCCC[C@H](N)CC(F)(F)C(F)F 400857999 BLMUQUBVCLRHON-NSHDSACASA-N 271.342 4.745 30 10 CJEE Fc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 575381552 WDGZIAOHYWNMDC-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C/C(=C\Cl)CC1(C=O)CC(C)(C)CC(C)(C)C1 687987334 NCGDUQZORKYFAE-KPKJPENVSA-N 256.817 4.941 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(F)cc1N 692241952 VNNYMORPNNDFKO-HZMBPMFUSA-N 282.790 4.608 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(N)cc1C(F)F 692254432 WJVFIWYFXCFDSK-BXUZGUMPSA-N 280.362 4.753 30 10 CJEE CCCCCCCCC[C@@]1(C#N)CCOC1(C)C 693310779 NCLFQTFSEPMQME-INIZCTEOSA-N 251.414 4.836 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@H](C)CN 696685188 YFTZCAMONCRKEX-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(C(C)C)CC1 697562180 BGYIFPGYKMCJPR-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H]2CCCC(C)(C)CC2)C1 697841047 BDPPSHNLOXCEER-VQHPVUNQSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](C)Oc1ccccc1 700688328 QWPFSLALKJFRTA-WMZOPIPTSA-N 277.452 4.793 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@H](CC(C)C)C1 701856656 VPNQLNLLHQZVDE-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCN[C@H](C)c1nc(C)c(C)s1 701944952 LJDZBXQXHCVVGA-CYBMUJFWSA-N 266.454 4.547 30 10 CJEE C#C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)C(C)(C)C 702250392 HKOLSLDTFRPYTR-SJORKVTESA-N 271.448 4.801 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CC3CCC2CC3)CC1 709457110 CURCGUNVVVQCLW-UYSNPLJNSA-N 262.437 4.988 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 714285877 HOGPWUJRLBMARD-XGWLTEMNSA-N 288.822 4.982 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccccc1OCc1ccccc1 715029201 LUQAAVFDKXZAPH-BEFAXECRSA-N 282.383 4.511 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(OCCCC)cc1 715707537 XXDPJDAVXKDHLB-YJBOKZPZSA-N 275.436 4.728 30 10 CJEE C=CC[C@H](C)[C@@H](NC)C(CC)(CC)c1ccccc1 715707824 YVSZKQAEYCQAFH-DOTOQJQBSA-N 259.437 4.545 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(C)cc(C)cc1C 715792651 DOTLALMOVIYJMC-KBXCAEBGSA-N 259.437 4.865 30 10 CJEE C=C1CCC(COc2c(Cl)cc(Cl)cc2C=O)CC1 724570585 DVBLLRJAMOYJBC-UHFFFAOYSA-N 299.197 4.931 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2occc2C)CC1 724589080 OLMVIRCRIOMTAO-MRXNPFEDSA-N 261.409 4.765 30 10 CJEE CC(=NNc1cccc(Cl)c1C)c1ccccc1F 915051366 QVARZDXQOMEHBE-UHFFFAOYSA-N 276.742 4.624 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 1125520481 BWUZHLWPLDDDEG-BEFAXECRSA-N 285.431 4.636 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1125592052 ZBRVATMEBBOLCW-FQEVSTJZSA-N 299.458 4.809 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCCCCC)CCCC1 1141299740 ASOXDKRLCHGMKX-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=C(CC)CN1CCCC[C@@H]1c1ccc(Cl)cc1 1170290190 GEEUFMAOLBIPID-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCCN1C1CCCCC1 1181275672 DFDWKDRWVNVALQ-HKUYNNGSSA-N 292.511 4.508 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cc2ccccn2)ccc1C 1205510152 VKQQDCXOOXCKKG-MRXNPFEDSA-N 280.415 4.747 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1206644881 KMIAEOFMOWALER-YJNKXOJESA-N 273.411 4.759 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3CCCC(F)(F)C3)C[C@@H](C1)C2 1257890581 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4.903 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)ccc(CC)c1F 2118739210 ZZRIWVOLGAFPME-CQSZACIVSA-N 269.379 4.888 30 10 CJEE CC#CCC[C@H](NCCC)C1(C)CCC(C)(C)CC1 2120092058 OSABDWNGSCYQHG-INIZCTEOSA-N 263.469 4.765 30 10 CJEE C[C@@H](C[C@@](C)(C#N)Nc1ccccc1Cl)C(F)(F)F 2121461715 VXCKXNZLEIABCT-CABZTGNLSA-N 290.716 4.623 30 10 CJEE C=CCCCCOc1ccc([C@@H](C)NCC)cc1Cl 2123079467 DGIISGAQCCXDAA-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCC1CC(Nc2ccc(C#N)cc2Cl)C1 2123366872 GXRLZTJXUTTXGA-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE CCCCCCCC[C@@H](NN)C1=CC[C@H](CC)CC1 2125191182 FBSWYIIQKAMRKL-DOTOQJQBSA-N 266.473 4.705 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC[C@@H](COC)C1 2125333354 NSHBBTWMOBZSDQ-HZPDHXFCSA-N 268.441 4.759 30 10 CJEE C=C1CC(C[C@@]2(CNC(C)C)CCCCC2(C)C)C1 2125743068 UPWZCGSPDNGCCF-GOSISDBHSA-N 263.469 4.927 30 10 CJEE CCCC[C@@](C#N)(CC)[C@]1(O)CCCCCC12CC2 2125963950 IXEWTMOFIHXLRT-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CCC1CCC(C=O)(CC2C[C@H]3CCC[C@@H]3C2)CC1 2127000494 CFSKFKHKRNIVLU-FZBQFSLMSA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@@]1(N)c2ccccc2CC[C@@H]1C 2129026341 RLTNINJBWIZKGE-YJBOKZPZSA-N 259.437 4.783 30 10 CJEE CC[C@@H](CCC(C)C)N=C1N[C@@H](c2cccs2)CS1 2129526641 ZHNRNTSKGTTYQS-QWHCGFSZSA-N 296.505 4.696 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)c(C)o1 2132677346 PZNSYYMHJZTNAW-MRXNPFEDSA-N 261.409 4.521 30 10 CJEE C=CC1(Cn2c(S)nc3cc(Cl)ccc32)CCCC1 2133086353 ISYKKWWULNTEEY-UHFFFAOYSA-N 292.835 4.725 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H](CC)C(C)C)CC1 2134140769 CSASSTNNIQTTLI-VUROTCPHSA-N 265.441 4.530 30 10 CJEE C=CCCCCCCNC[C@@H]1C[C@H]1C1CCCCC1 2135566323 BBYCXPHWBIMMSF-ROUUACIJSA-N 263.469 4.929 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H]2C2CCCC2)CCCCC12CC2 2135636349 OIVSJWRUUDHPBG-JFIYKMOQSA-N 260.421 4.742 30 10 CJEE CC1CCC(C=O)(C[C@@H]2C[C@H]2c2ccccc2)CC1 2135648352 KUVCJHHIGISUOS-YCHGYYGWSA-N 256.389 4.576 30 10 CJEE C#C[C@@H](N[C@@H]1CCc2sc(Cl)cc21)C1CCCCC1 2138978620 WUBHNMZHWBLMGJ-ZIAGYGMSSA-N 293.863 4.561 30 10 CJEE CCCCCC#CC[C@H](N)C[C@H](C(F)F)C(C)(C)C 2138984759 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283.500 4.920 30 10 CJEE CC1(C)CC[C@@]1(C#N)[C@]1(O)CCCC2(CCCCC2)C1 2188517754 WOVKLBVQABIDIN-ROUUACIJSA-N 275.436 4.572 30 10 CJEE CCC[C@@H]1CCCN(c2cc(CC)ccc2C#N)CC1 2188839401 LUJWOYHUECNGDP-MRXNPFEDSA-N 270.420 4.527 30 10 CJEE C=CC1(CNC2CC(c3ccccc3)C2)CCCCC1 2189512638 PFXHXOCYJGSSFX-UHFFFAOYSA-N 269.432 4.659 30 10 CJEE CCCC1CCC(CN=C2N[C@H](C(C)(C)C)CS2)CC1 2192877238 POUUVEZIRSXJBC-NRXISQOPSA-N 296.524 4.700 30 10 CJEE CC#CCCC[C@H](NCC)C1CCC(C(F)(F)F)CC1 2194060664 ZIOUVPCULJJXPR-NRXISQOPSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCCCCN1CCO[C@H](CF)C1 2195915820 QBFRWXJKYDVGEF-QGZVFWFLSA-N 287.463 4.578 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1nc(C2CC2)cs1 2196171871 NHJDSZJICCZSIT-OAHLLOKOSA-N 290.476 4.645 30 10 CJEE CC#CCCCC[C@@H](NC)[C@@H](c1ccccc1)C(C)C 2196174694 QEWYZSLHEWCPAD-RTBURBONSA-N 271.448 4.598 30 10 CJEE CCCCCCCCN(C)Cc1cccc(COC)c1 2196714092 WJURHGPRDJZVQL-UHFFFAOYSA-N 277.452 4.625 30 10 CJEE CCCCCCCN(C)c1nc([C@H](C)CC)c(C=O)s1 2196728719 MPOQJRHBGMFUCY-CYBMUJFWSA-N 296.480 4.876 30 10 CJEE CCCCCCCN(C)[C@@H](c1ccc(C)s1)[C@@H](N)CC 2196730396 VVPWFDZMAIIXLS-DOTOQJQBSA-N 296.524 4.737 30 10 CJEE CCCCCCCCN(C)[C@H](c1sccc1C)[C@H](C)N 2196735983 CJXBDIXIBXNEOW-HOTGVXAUSA-N 296.524 4.737 30 10 CJEE CCCCCCCCN(C)c1ccc(C(=O)O)cc1Cl 2196737048 ONRWGJKYLCTMAF-UHFFFAOYSA-N 297.826 4.835 30 10 CJEE C#CC[C@H](C[C@H](C[C@@H](C)C(C)(C)C)NCCC)C1CC1 2196835737 DYHJCKQKYZPANU-NXHRZFHOSA-N 277.496 4.867 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1cc2ccccc2s1 2196857043 WESMJQFPMOIILM-GOEBONIOSA-N 285.456 4.992 30 10 CJEE CC=C(CC)C(=O)C1(O)CCC2(CCCCCC2)CC1 2197801292 MHXPYZQSYQYFDS-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@@H]1C1CCCCCC1)C(F)(F)F 2200146434 HUAXMNZZCJNGPZ-KFWWJZLASA-N 289.385 4.690 30 10 CJEE CCCCC#CC[C@@H](CSc1ccc(C)cc1)NCC 2203787238 KFHSUTGIPISVRF-KRWDZBQOSA-N 289.488 4.649 30 10 CJEE CCCCCC#CC[C@H](NC)c1snc2ccccc12 2203789012 AEHKOZTYNOSABB-INIZCTEOSA-N 286.444 4.531 30 10 CJEE CCCC#CC[C@H](CSc1ccc(C)cc1)NCCC 2203792186 OTIGBLUUBSOYGO-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE C#C[C@@H](N[C@@H]1CCC[C@H](CCC)CC1)C1CCCCC1 2203801827 SGGLPTZLRJWMMQ-QXAKKESOSA-N 275.480 4.907 30 10 CJEE CCCC#CC[C@@H](NCCC)c1cc(C)cc(C)c1C 2203809440 GHDQMLZBYRUQDL-LJQANCHMSA-N 271.448 4.846 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C1CCCC1 2204045013 UPOZNRQJPFYXBT-BEFAXECRSA-N 269.432 4.653 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CO[C@@H](C)C1)NCCC 2206885859 OEQHDIZPFVKCEF-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CSc1cccc(O[C@H]2CCCC(F)(F)CC2)c1C#N 2207040955 ANULGLSRCOTPPP-NSHDSACASA-N 297.370 4.627 30 10 CJEE C=CCCCCCCCCCN1CCO[C@H]2CCC[C@H]21 2207374188 BBILJUVWQBAPTG-MSOLQXFVSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCCCC(=O)[C@](O)(CC)[C@@H]1C[C@H]1C 2207374759 AEYUOFBXAICWSL-NUJGCVRESA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](N)CC(F)(F)F 2207396588 MVOIIXTXSRHDFI-ZDUSSCGKSA-N 293.373 4.532 30 10 CJEE C=CCCCCCCCCCN[C@H](C)c1ncc(C)o1 2207397142 QJTYCLOZYJQQRX-MRXNPFEDSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCCC[C@H](NCC)[C@H](O)C(C)C 2207408790 KSWASTCOPBHABY-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCCCC[C@@H]1O 2207427794 QBIRKPJQBIFZFQ-ROUUACIJSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC[C@H](O)C1(N)CCCCC1 2207428142 VFGPOQZOFROYPM-KRWDZBQOSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@]12CCCO2 2207433272 YCIFTYOVYHHOOR-QZTJIDSGSA-N 280.452 4.757 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1cc(Cl)ccc1C 2207443693 CEGCAXSAEDFJMQ-INIZCTEOSA-N 296.838 4.943 30 10 CJEE CCCCCCCC[C@@H](CN)N1CCCC(C)(C)CC1 2207444253 HYONKPJKRXLAQZ-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2207447436 IMKVHDVGJVHBPT-XREYTECCSA-N 276.464 4.946 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1CC[C@H](CC)O1 2207448547 LZMJRLDAZJYZKD-OKZBNKHCSA-N 281.484 4.968 30 10 CJEE C=C(C)CC[C@H](C)Nc1cc(Cl)c(N)cc1Cl 2213664075 RXAUEZHXRRCZQE-VIFPVBQESA-N 273.207 4.732 30 10 CJEE C[C@@H]1C[C@](C#N)(CC2(C)CC(C)(C)C2)CCS1 2215441801 JEEJYRPAIVPBSE-DOMZBBRYSA-N 251.439 4.628 30 10 CJEE CCC1CCC(OC[C@@H](CS)C(C)(C)C)CC1 2217242833 UDHVMXUWADEDMO-MOKVOYLWSA-N 258.471 4.564 30 10 CJEE C=CCCCCCCCCNC[C@@H](SC)C1CC1 2217855573 ALHWDXXFYKDJGG-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1C[C@H]1C(C)(C)C 2220091338 FPFAMTIEICTSNS-ARFHVFGLSA-N 251.458 4.913 30 10 CJEE C=CCCCCCCC(=O)CCc1cccc(F)c1 2224594285 XKCYJTZDGCAHJK-UHFFFAOYSA-N 262.368 4.854 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225322676 WEDCCSQJQXULLP-MHORFTMASA-N 263.469 4.927 30 10 CJEE CC#C[C@H](CCCCCCCCCCCCC)NN 2225503470 IOCAXMUMLPQWEB-QGZVFWFLSA-N 266.473 4.543 30 10 CJEE C=CCCCCCCCCOC[C@H](NCC)C(C)C 2225675387 HCOUDCRKELVOSD-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC[C@@H](C)O2)CC1 2226866607 NSTIPZIUWMNRME-KZYLPZIUSA-N 266.425 4.510 30 10 CJEE C=CCCCCCCCOc1c(F)cccc1C=O 2227272507 NIYRAENRWRNSRZ-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE C=CCCCCCCCNCC1(F)CC2(CCC2)C1 2227273865 RSKMCRQKYCYYKK-UHFFFAOYSA-N 267.432 4.775 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1sccc1CC 2227284216 GZMPSOWNMBAUGO-OAHLLOKOSA-N 280.481 4.732 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncsc1C1CC1 2227285076 TYGONKSXEXNKDG-AWEZNQCLSA-N 278.465 4.937 30 10 CJEE CCCC#CC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2228019875 LASXARDIZGYTCJ-ZDUSSCGKSA-N 289.728 4.552 30 10 CJEE CCCCCCCC[C@@](C)(N)CCC[C@H]1CCOC1 2231897737 CHICWXLMROLYDT-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C(C)C)c1OC 2233242685 ZGCKNQBUARFEJZ-QGZVFWFLSA-N 275.436 4.826 30 10 CJEE CC#CCCCCC(=O)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233610042 LWMPABOJSPNFEP-QDMKHBRRSA-N 282.374 4.601 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233655954 LDYGXCNGZRIAMK-MANSERQUSA-N 275.480 4.765 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSCCCC1CC1)NC(C)C 2235459036 YMZQKMPAWLNIPQ-WBVHZDCISA-N 296.524 4.606 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1(CCOC)CC1 2235521180 HCLKJICZFZEIIE-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC(=O)[C@H](CN)C1CCCCC1 2235523932 KVSXCHCWFCIZRL-QGZVFWFLSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)C(CC)(CC)CC 2235525890 FPMUXNPNMGUADM-SJORKVTESA-N 283.500 4.808 30 10 CJEE C=CC[C@@H](C)OC[C@H](NCCC)c1ccc(Cl)c(F)c1 2235855916 DYROSRLIYKZZTE-WBMJQRKESA-N 299.817 4.501 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2C[C@@H]3CSC[C@@H](C3)C2)CC1 2236716608 AZRBQWMZDLBWER-DLTWYDFYSA-N 292.488 4.717 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2cc(F)cc(C#N)c2)c1 2237992328 MGYYGGGQFHAQKB-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCCCNC[C@]12C[C@](C(C)C)(CO1)C2 2238305890 ADOPAZQYAVDVRW-IYARVYRRSA-N 281.484 4.532 30 10 CJEE C=C(C)CCOCc1cccc(CN[C@@H](C)CC)c1Cl 2238501501 FITSKAUUQAKFLC-AWEZNQCLSA-N 295.854 4.711 30 10 CJEE CCCCCC#CC[S@](=N)(=O)CCCCCCC1CC1 2239364377 CCSMCZRYAYESDJ-FQEVSTJZSA-N 297.508 4.977 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(N)C#Cc1cccc(Cl)c1 2239561681 DZVYZTVBCIWZCB-SJLPKXTDSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@H](CCC)C1 2240557354 XFNQILBVQHUPFK-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cnn(C(F)(F)F)c1 2240658267 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C=C(C)CCCC[C@@H](NCCC)[C@H](O)CC(C)(C)CC 2287389881 JVMWHJKNULTCHX-IAGOWNOFSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(COC)CCCCC1 2287465721 MAEHHTGLNAMPBP-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CC(C)CCC[C@@H](C)CCN(C)C1(C#N)CCCCC1 2287882163 ABMRTZLDIAQKRE-QGZVFWFLSA-N 278.484 4.997 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@H](C2CC2)CCS1 2287882533 BXNHLTMETNACCE-GDBMZVCRSA-N 296.524 4.700 30 10 CJEE C=CC[C@H](CC[C@@H](C)CCCC(C)C)CNCCOC 2287919603 XZAPRWLYJGQMAB-ZWKOTPCHSA-N 283.500 4.657 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@@]12CCCC[C@H]1CC2 2289078443 URTOTPPKBFRGDM-WMZOPIPTSA-N 269.388 4.524 30 10 CJEE Cc1nsc(Nc2cccc(C3CCCC3)c2)c1C#N 2289299017 CZOHLFCNQNPHRP-UHFFFAOYSA-N 283.400 4.724 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1CCCCCCC1 2289696290 SJHKXYSQYFSLGT-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CC[C@@H](C)C1 2289898697 HFLQWUBYJRTRSE-IEBWSBKVSA-N 275.480 4.622 30 10 CJEE O=C(CC#CC1CCCC1)c1ccc(C2CCC2)cc1 2289902278 ZPUGWPPURXCXTH-UHFFFAOYSA-N 266.384 4.721 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1CCC(C(C)C)CC1 2289925112 RNFGNMORTKWPNA-ACBHZAAOSA-N 275.480 4.621 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@H]1CC(C)(C)CCC1(C)C 2290319631 YSZLTFDSWAEEAN-GJZGRUSLSA-N 278.484 4.851 30 10 CJEE C=C(c1ccccc1)[C@@H](CCC1CC(C)C1)NCCC 2290391928 YAZQPDMYFFRRQU-GXOAENINSA-N 271.448 4.894 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCCCC[C@@H]1C 2291450201 QXGSTDCJEGCLRJ-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1ccoc1C 2293786124 XHAXKFBPMTYIDJ-KRWDZBQOSA-N 279.424 4.521 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@@H]1CCC)OCCN 2293943864 VEAFCUCKHPPFEI-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](C[C@@]12CCC[C@@H]1C2)OCCN 2293969551 AFRRHEPSYMYWAG-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCC1(OCCN)CCC2(CCC2)CC1 2294046224 ZRUXGTGBYKROHR-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)OCCCN 2294111069 MYSXCQNXVSMVPO-KURKYZTESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC1(C)C)OCCN 2294478510 IXNXEMKKRIYCET-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnn(C(F)F)c1 2295581231 OIJSZRJCCQAPDW-OAHLLOKOSA-N 288.382 4.626 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CO[C@H](C(C)C)C1 2295685470 XTYVJIPZCLMMIF-BZSNNMDCSA-N 283.500 4.919 30 10 CJEE CCCCCCSCc1ccc(C)c(C#CCCO)c1 2295822408 WMDBLNKEZPKUJK-UHFFFAOYSA-N 290.472 4.542 30 10 CJEE Cc1cccc(C=C2CC[C@H](C3CCCC3)C2=O)c1 2297333953 LVQOJXPPHKBCIH-QGZVFWFLSA-N 254.373 4.548 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cc(Cl)sc1Cl 2300177392 XJYFJLXBPBQHCQ-KOLCDFICSA-N 290.259 4.889 30 10 CJEE C=CCC(CC=C)[C@H](N)c1c(Cl)cccc1Cl 2301054990 JAPPEVSHBGZTBH-AWEZNQCLSA-N 270.203 4.762 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2302853046 UDFWQYXTQUPQSU-HZMBPMFUSA-N 270.203 4.529 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1C[C@H](SC)C1 2314305035 AYWPNNOWNZMYFV-BZUAXINKSA-N 269.498 4.762 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)CCCC(C)C 2315892358 SRMQCZSRLHGIEX-HZPDHXFCSA-N 253.430 4.674 30 10 CJEE C=CCC(CC=C)C(=O)Cc1ccc(Cl)c(Cl)c1 2316737532 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CC(C)=CCC[C@H](C)OCc1ccc(C#N)c(C)c1 2341728922 DPXFOGGTYVDGKN-HNNXBMFYSA-N 257.377 4.518 30 10 CJEE C#Cc1cc(N[C@@H](C)c2ccc(Cl)s2)ccc1OC 2344078532 CURHHMRTMAPXFW-JTQLQIEISA-N 291.803 4.565 30 10 CJEE CCc1cc(F)cc(Nc2ccc(C#N)cc2Cl)c1 2344335026 SYFXKRKUZUHXTB-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1C[C@@H]2CCC[C@H]2C1)NC 2344347073 YNVRZFARVYKCAQ-XSLAGTTESA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(OC)c1Cl 2344383375 IIQOCYZRDGBFKP-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC1(CNCC[C@H]2CCC(C)(C)C2)CCCCC1 2344848942 PBPYAWWDDFKAAT-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CCC2(CCC2)C1 2352079763 KUDAWTHNAUNWBE-HOCLYGCPSA-N 283.525 4.623 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NCCC(C)(C)C#N)c1Cl 2353024240 LLHUYDNZWAIUNG-NSHDSACASA-N 299.245 4.892 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)C[C@H](CC)CCC 2353457344 UWTAIEZSILYEFR-IKGGRYGDSA-N 271.489 4.642 30 10 CJEE CC#CCC[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354877285 LSIMIWLCRLTQJR-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)CC[C@@]2(C)C[C@H]21 2356229031 KDSCBHAQVNGTJW-BPQIPLTHSA-N 280.452 4.637 30 10 CJEE CCCCC#CC[C@@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137082 BQKDGILADRYDAJ-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3[nH]2)C1 37154992 NGUIPDPCTFMXFS-WOSRLPQWSA-N 299.443 4.764 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](c1cccs1)C(C)C 50429933 PKGURGAOADZXQZ-INIZCTEOSA-N 270.401 4.737 30 10 CJEE N#C[C@H](CCc1ccccc1)c1ccccc1Cl 57685499 DNIKHXXJBJIMSE-AWEZNQCLSA-N 255.748 4.580 30 10 CJEE N#C[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F 57743226 ZHHGCZFIDWPPEP-NSHDSACASA-N 294.156 4.982 30 10 CJEE CCCCCCCOc1cccc(CNCCC)c1 59178827 PKNNKAPMRNAQLF-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCN(CC)c1ccc(/C=N/c2cc(C)ccc2C)cc1 59458851 FPDNHALMOHEUOT-XSFVSMFZSA-N 280.415 4.900 30 10 CJEE CCc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1 83194064 OTKXLZGBCHDNEI-JLHYYAGUSA-N 294.394 4.932 30 10 CJEE C=C(CC)C[C@H](CSc1ccc(Cl)cc1)NCC 90245522 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123674235 IOEXMQOWLXWCDJ-WFASDCNBSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](CC)OC 124706173 ZMPFQMJBURVCST-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](OC)C(C)(C)C 130769794 NUNAAUDCSURVDS-HOTGVXAUSA-N 271.489 4.906 30 10 CJEE CCCCCCCCN1c2ccccc2NC[C@@H]1C 133661616 HXLCRNINDRZCDC-HNNXBMFYSA-N 260.425 4.668 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCCO1)NC 134532681 WHDAEEWQXNHNDO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](O)CCOc1cccc(C)c1 135385379 UUPXGUYLBCVJNG-QGZVFWFLSA-N 278.436 4.875 30 10 CJEE CSc1cccc(Nc2ccccc2Cl)c1C#N 136612429 PBRPSMNMGNONRF-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCCC[C@H]1O 146301118 PEECMCOIZVJRRQ-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCNc1ncnc(Cl)c1CCC 147277083 POWZMFJZHDFVBC-UHFFFAOYSA-N 283.847 4.855 30 10 CJEE CC(C)C1CCC(C#N)(Cc2c(F)cccc2F)CC1 157679014 GDTAFTUMWZFGKP-UHFFFAOYSA-N 277.358 4.863 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(OC)cc1F 159147056 AEWRNRZQQHAITF-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CC[C@@H](C)c2ccccc21 163760483 MNCFENCWZYOUOL-FZKQIMNGSA-N 276.383 4.917 30 10 CJEE Cc1cccc(N[C@]2(C#N)CC[C@H](C)c3ccccc32)c1 163863223 DPJROPBVJGNDHH-KXBFYZLASA-N 276.383 4.723 30 10 CJEE CCCCCCCOc1c(C)cccc1C[C@H](N)CC 165807991 BVDKQWYIQIKRPB-QGZVFWFLSA-N 277.452 4.624 30 10 CJEE CCCCCCCC[C@H](CCCCCC)C(=O)NO 166787399 ZVGAVDWDDUMMQE-HNNXBMFYSA-N 271.445 4.829 30 10 CJEE CCCCCCCCC[C@H](O)c1ccncc1CC 167622645 AXRIKCHJOVABQI-KRWDZBQOSA-N 263.425 4.818 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCC(C)C 191436973 PVOXLECSUHVOOS-UHFFFAOYSA-N 288.435 4.706 30 10 CJEE C(#Cc1ccc2oc(-c3ccccc3)cc2n1)c1ccccc1 196943257 VMXKQOJRHGCQFO-UHFFFAOYSA-N 295.341 4.895 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)CNC 226595037 FUEXYHJHZODVPI-MRXNPFEDSA-N 269.473 4.722 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(F)c(F)c1F 229753279 KVUPITKKKYIDJX-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CC(C)C1CCN(CC2(CS)CCCCCC2)CC1 232537238 CFRQTBXACLBAJY-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCCCC[C@](CN)(CO)C(C)C 232918864 OWPMONFDGZTUGN-SFHVURJKSA-N 285.516 4.891 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCC[C@@H]1OC 232959204 XISJAIBBKCZYFF-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCO[C@@H](C(=O)C1=CCCCCCC1)c1ccccc1 233741353 MBGMCCXDQSTYAP-GOSISDBHSA-N 272.388 4.614 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCCC 250739756 CTBXTDLILRWKGM-PMPSAXMXSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1O[C@H]1C[C@H](C)c1ccc(Cl)cc1Cl 251754404 UTZDAPNPSNJKIL-HJIKLVIJSA-N 259.176 4.664 30 10 CJEE N#C[C@H]1CCc2ccc(F)cc2[C@H]1C1CCCCC1 260700991 UZSIYRSTQLBEIT-PBHICJAKSA-N 257.352 4.576 30 10 CJEE N#Cc1ccc(OCCC2CCCCC2)c(Cl)c1 310665892 ANNRBJHCGHLYAY-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2c(Cl)cccc21 310773804 DHNAUKLAWMJGPO-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE CC1(C)CCC(C=O)(Cc2cc(F)ccc2Cl)CC1 317276284 SJMJFKYKZFFUSW-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCCC1CCC(C=O)(Cc2csc(C)c2)CC1 317381977 XGNFVNRUOFTBTE-UHFFFAOYSA-N 264.434 4.775 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1O2 317958506 DWCBYAXYMIZQEW-NUJGCVRESA-N 281.484 4.673 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 319857515 OFJCPKKCZTYJNI-GXSJLCMTSA-N 256.176 4.893 30 10 CJEE Clc1ccc(C#Cc2cc(Br)cs2)cc1 383505646 CNKDHNDGFNDPBV-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1sccc1Cl 384869511 ONBXJQBJCQTHEW-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCCCCCC[C@@H](C)NCCCOCc1ccccc1 390084389 FIGXRSKRFTUIHG-GOSISDBHSA-N 291.479 4.932 30 10 CJEE CCCCCCCCCCCCNCC1(CC)COC1 393985491 GDLFIVRVNQISQU-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CCCCC2(F)F)C1 394318839 HPLQLGNIVMPFKE-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC[C@@H](CCOC(C)C)NCC 395524116 PLENNTUWKDVCSS-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCC[C@H](C)NC[C@@H](C#N)C1CCCCC1 397055302 AJJHZVLPNFEYOE-DOTOQJQBSA-N 264.457 4.655 30 10 CJEE C=CCCCCCCN[C@H](CCC)[C@@H]1CC1(C)C 397624251 MBJRVSMIGWHHEB-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCCc1c(F)ccc(Br)c1F 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CN(CC1CC2(CCC2)C1)CC1(CS)CCCCCC1 691964752 GWSUAGJPVOORLY-UHFFFAOYSA-N 295.536 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(F)c1 692272167 KYVBLIJAOURQJE-CPUCHLNUSA-N 261.384 4.611 30 10 CJEE CCCCCCCCCC[C@@]1(CN)CCOC1(C)C 693133719 HLGCPCNPBZEIAF-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=C(C)CC[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 694985605 JOJZQRHILVTCIB-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1CCCC2(CC2)C1 695987710 AMPYNLLIVUAIJA-HZPDHXFCSA-N 266.473 4.539 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3CC4CCC3CC4)C[C@@H](C1)C2 697305137 SVRISYDISVZFRW-IHVGBKKVSA-N 273.464 4.537 30 10 CJEE CCCCCCC[C@H](O)CC(C)(C)C(C)(F)F 700357534 ANHCBJAMCFWVGR-LBPRGKRZSA-N 250.373 4.779 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3cccc(C)c3)C[C@@H](C1)C2 700385096 LDZGGPDMKAAQLR-VLFFPSDRSA-N 269.432 4.781 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(SC)cc1 701865663 UWGXIEKMKZLWBM-CYBMUJFWSA-N 263.450 4.661 30 10 CJEE Cc1ccc(C#N)cc1NCc1ccsc1C(F)(F)F 704326768 MSRBNALVFRCIJU-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE N#Cc1c(Cl)cccc1NCC(C1CCC1)C1CCC1 704471299 GPJIBHKUUQUJEJ-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CCCC[C@H]2C)CC1 704934146 QOAINUCTLNRPIP-KZYLPZIUSA-N 250.426 4.844 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H](C)CC(C)(C)C 708256559 VVEMVOSCBMSQRL-CVEARBPZSA-N 265.485 4.867 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C2CC2)cc1 709322089 CLYNLSDNSWCEEP-OALUTQOASA-N 269.432 4.789 30 10 CJEE CCSc1cccc(Nc2ccc(C#N)c(F)c2)c1 709664594 KOFVSGIBTKHPIT-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712295392 RPAQMLJZYZGDSL-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE C=CC[C@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712571170 VFECBYBNSNBLJK-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCCC[C@@]1(O)COC[C@@H]1CC(C)C 716294650 XMQXWLKNMOHJTN-DLBZAZTESA-N 270.457 4.551 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)C[C@@H](C)CO1 718522642 VMFMQBJGWJKXSC-SJLPKXTDSA-N 281.484 4.674 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc3c(c2)CCC3)CC1 724550620 UIWLVWUWRWTRHH-IBGZPJMESA-N 269.432 4.572 30 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253.389 4.583 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCCOC1 1258228766 KITCYKSGRJATBJ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=C[C@@H](OC(=O)/C(C)=C\c1ccc(F)cc1)c1ccccc1 1279069364 IJAATYWBMFMDHD-SWNWVQGVSA-N 296.341 4.700 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@H](c2ccccc2)C(C)C)C1 1300477296 FVKJQQQYVXQXPQ-MJGOQNOKSA-N 299.458 4.631 30 10 CJEE C=CCC1(NCc2ccc(C(F)F)c(F)c2)CCCC1 1308464756 BFHKJPWYSABREA-UHFFFAOYSA-N 283.337 4.742 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCc2ccccc2C1 1308806412 VOXSURVCUKLOJA-GOSISDBHSA-N 285.475 4.908 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OCCC(C)C)cc1 1361086538 OWDNVAZCDQAMCO-OAHLLOKOSA-N 289.419 4.652 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(C(F)F)cc1)c1ccccc1 1456548450 MYYZUJNZJOPEDR-HNNXBMFYSA-N 287.309 4.533 30 10 CJEE C=C(CC)CN[C@@H](Cc1ccccc1)c1sccc1C 1459925562 MUVNIDQTIIXMDZ-KRWDZBQOSA-N 285.456 4.896 30 10 CJEE C=CCC1(CNC(=O)CC2(C)CCCCC2)CCCC1 1460028561 XGPQWXWUZOUWSC-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1518325466 LUQJZWHXXDFHJU-CVEARBPZSA-N 299.458 4.560 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CCc1ccc2ccccc2c1 1519990290 YUSXTKLKNSSZJO-MRXNPFEDSA-N 295.426 4.633 30 10 CJEE C=C(C)CCC(=O)OCc1nc(C2CCCCC2)cs1 1525093781 FAMQRXKHYZHCGO-UHFFFAOYSA-N 293.432 4.590 30 10 CJEE C=CCC1(CNC(=O)[C@H](F)CC2CCCCC2)CCCC1 1525699116 GRDAGJZTVQQGFA-MRXNPFEDSA-N 295.442 4.548 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H]2c2c(C)cccc2C)CC1 1528365469 WOHQQHVCUWPBDF-SFHVURJKSA-N 297.442 4.713 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](CC)c2ccccc2)CCCC1(C)C 1530839221 JIJDGFNGLYWVJS-ROUUACIJSA-N 299.458 4.774 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 1538635787 MXANYHLBCWEHMF-UHFFFAOYSA-N 293.366 4.774 30 10 CJEE C=C[C@@H](C(=O)NC1CCC(CCCC)CC1)c1ccccc1 1543628414 NYMGGSPTOSXMQL-NKELODKYSA-N 299.458 4.821 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)c1ccc(C(F)(F)F)cc1 1585940282 PHIFEFGMAWMUKC-UHFFFAOYSA-N 299.336 4.661 30 10 CJEE Fc1cccc(Cl)c1C#Cc1ccccc1Cl 1614826412 QKSIACRPDADTBE-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCSC(C)(C)C 1617465575 HRFPGWBJQLQNNQ-GJZGRUSLSA-N 297.508 4.549 30 10 CJEE C#CCCCCCCN(Cc1ccc(F)cc1)CC1CC1 1641786429 SDDIOPBEVGNHMR-UHFFFAOYSA-N 287.422 4.621 30 10 CJEE C#C[C@@](C)(CC)NCc1ccc(Oc2ccccc2)c(F)c1 1643154737 KBDXIGXQFPZKBM-IBGZPJMESA-N 297.373 4.510 30 10 CJEE C=CCCCCCN1CCC(c2ccccc2)CC1 1652275870 ZYNBIPZLTZMKIA-UHFFFAOYSA-N 257.421 4.612 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CC[C@@H]1C1CCC1 1652282607 OISMGBDDGGUHQP-SJLPKXTDSA-N 255.405 4.796 30 10 CJEE C=CCCCC[C@H](C)NCC[C@@]1(C)CC1(Cl)Cl 1652477759 GTZWTTWYGUKYPE-STQMWFEESA-N 278.267 4.685 30 10 CJEE C=C(C)CCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 1653049519 WRQIMHZPKQGDED-INIZCTEOSA-N 263.400 4.859 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC[C@H](CC)C3)cc21 1658999065 WRNFKRGPLNNVJT-HOCLYGCPSA-N 283.419 4.603 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1 1659361951 WSGMSNJCKJSAQY-WOJBJXKFSA-N 275.395 4.725 30 10 CJEE CC(C)CN(Cc1cccc(Cl)c1)C[C@@H](C)CCC#N 1660355317 CTPIHDRUHWLQHC-HNNXBMFYSA-N 292.854 4.738 30 10 CJEE C=C(C)c1cccc(NC(=O)NCc2cc(C)cc(C)c2)c1 1673605336 SVQRCGDJWSUIPB-UHFFFAOYSA-N 294.398 4.658 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cccc(C(F)F)n1 1880735735 FOICVSRUWJZOFH-NWDGAFQWSA-N 266.335 4.566 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(C)ccc1C 1885243796 DKFMIUBSPUAFSK-GOSISDBHSA-N 257.421 4.538 30 10 CJEE CC1(C)CCC[C@H]([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 1885275457 VERSPZNKXVUHGP-IHRRRGAJSA-N 278.245 4.685 30 10 CJEE C=C(c1ccccc1)C1(O)CCC2(CCCC2)CC1 1888706151 SOJGXSSDKCITMZ-UHFFFAOYSA-N 256.389 4.565 30 10 CJEE CC(C)=C(C)C(=O)c1cccc(OCc2ccccc2)c1 1889374997 ACZZQGMSGARROF-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE Cc1ccc(NC(=O)c2cccc([C@H](C)C#N)c2)cc1Cl 1890561270 YZYLUQFAMUUMKC-GFCCVEGCSA-N 298.773 4.528 30 10 CJEE CCCCCCCCN(CCCOC)Cc1ccccc1 1892425012 DRINPXMHPPQVRR-UHFFFAOYSA-N 291.479 4.886 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CC2CCC1CC2 1892520699 JXAIADIHCXSTBK-LYBXBRPPSA-N 283.459 4.891 30 10 CJEE C=CCCN(Cc1ccccc1)[C@](C)(O)CCCC(C)C 1893301401 HEVLMHZOXBYDDC-LJQANCHMSA-N 289.463 4.600 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)s1 1903136218 OBDAHFIBMJKKIY-STQMWFEESA-N 257.830 4.654 30 10 CJEE CC[C@@H]1NC(=N[C@@H](C)CC2CCCCC2)S[C@@H]1CC 1911853170 GFROWNYYLXYVSA-AEGPPILISA-N 282.497 4.595 30 10 CJEE CCCCCCCCCC[C@@H](N)C(F)(F)C1CC1 1912519676 ZQRPSZAKGHJWIC-CQSZACIVSA-N 261.400 4.890 30 10 CJEE CCC(CC)(CS)CN1C[C@@H](C2CCC2)CC[C@@H]1C 1924186791 DYTVHQOSQBRDIY-HOCLYGCPSA-N 283.525 4.623 30 10 CJEE N#CC1(C[C@@H]2C=CCCCC2)C[C@@H]2CC[C@H](C1)S2 1925762946 IYECCZRXWOFVPL-JZWPEALZSA-N 261.434 4.691 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1scc(Cl)c1Cl 1932297196 CUIJBIKREKEUPY-XVKPBYJWSA-N 264.221 4.528 30 10 CJEE CCCCCCCCCCC[C@H]1C[C@@H](C#N)CCN1 1952935863 QZWUFKRFVROXSV-IRXDYDNUSA-N 264.457 4.799 30 10 CJEE C=C(C)CCCN[C@H](C)c1ccc(C(C)(C)C)cc1 1962785918 NCHCDLGFSSQOLC-OAHLLOKOSA-N 259.437 4.991 30 10 CJEE CC(C)(CNc1ccc(C#N)cc1F)C1CCCCC1 1970821005 BNFCYWPQNCZJPI-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc(Cl)s1 1995207258 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MGIDGSGQPMVCNU-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCCC1(C)C 2295522496 ONFOKUBYKJIUQK-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NC)C1CCCC1 2295682132 MYDADZIATVJRJG-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE C=CC[C@@H](CO)CCCc1cc(Cl)cc(Cl)c1 2302372177 NIZQMWALMBDRNA-LLVKDONJSA-N 273.203 4.501 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cscc1F 2304041389 NLYMRLCCZWXCEW-CYBMUJFWSA-N 255.402 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(CCC)s1 2304061598 GRMMJSIXYNJTAI-CABCVRRESA-N 251.439 4.693 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(C)sc1C 2315421747 GEGUZDRCQIYPIB-DUVNUKRYSA-N 263.450 4.760 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc(Cl)sc1C 2315702711 JHDPUVKBAIQIDP-CQSZACIVSA-N 281.852 4.554 30 10 CJEE C=CCC(CC=C)[C@@H](N)Cc1cc(Cl)ccc1Cl 2316740813 GCTURDYRUKKVIA-HNNXBMFYSA-N 284.230 4.632 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)C1CC(CC)C1 2321095713 LKNNOPSZSCEWRD-BHUNQDJPSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CCC[C@@H]1C[C@H]1C)NCCC 2321137667 LYKOJOIAFBYLAD-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CC[C@](C)(COC[C@@](C)(CS)C(C)(C)C)C(F)F 2327115312 JYWCXWKSLFUWLH-KGLIPLIRSA-N 282.440 4.667 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1CF 2333706378 MCJCGIMEXCHZOC-BRWVUGGUSA-N 269.448 4.877 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(COC)s1 2336717379 WXEKFVKUGTVVCA-MRXNPFEDSA-N 284.465 4.853 30 10 CJEE C=C([C@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2)C(C)(C)C 2338788709 YDGBCVFSHUEJGZ-QAETUUGQSA-N 263.469 4.783 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)cc(OC)cc1Cl 2338867021 JBCXLIJIDRJWMN-AWEZNQCLSA-N 285.790 4.624 30 10 CJEE C[C@H]1CCC[C@]1(C=O)CC(C)(C)Cc1ccccc1 2339401904 IAGAUFAIGFXQQJ-MAUKXSAKSA-N 258.405 4.651 30 10 CJEE C#CCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341114393 KSDVBYSKWZKEKI-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE CC1(C)CC[C@@H](COCc2ccc(C#N)cc2Cl)C1 2341609420 PRCPKWWKYQRPLL-CYBMUJFWSA-N 277.795 4.555 30 10 CJEE C=C1C[C@H]1[C@H](CC1CC2(C1)CC(C)(C)C2)NCCC 2341884114 MAIMWPRXLXPMHX-CVEARBPZSA-N 261.453 4.537 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccccc1C1CCC1 2341884247 MEJJZFFKTWRCKA-QZTJIDSGSA-N 255.405 4.571 30 10 CJEE C=CCC[C@H](C)N(C)CCCCC(F)(F)C(F)(F)F 2342307763 SMOIQPVVRGXWJR-NSHDSACASA-N 287.316 4.641 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CC[C@@H]1C1CC1)NCC 2342340861 SIORPOPKWUWCAO-KURKYZTESA-N 261.453 4.559 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1COc1ccc(Cl)cc1C#N 2343133214 UBNRLDXANORHBO-BXUZGUMPSA-N 277.795 4.663 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CC1(C=O)C[C@@H]2CC[C@H](C1)S2 2343369941 YAKUUBJFOHTNGU-LADHJHLASA-N 280.477 4.692 30 10 CJEE C=CC[C@](C)(NC[C@H]1CCC(C)=C(C)C1)C(F)(F)F 2343473036 RYFDXRCOZIKPQI-KBPBESRZSA-N 275.358 4.610 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)CCS[C@H](C)C2)c1 2343770624 VODBVGLKGRNHTA-PBHICJAKSA-N 273.445 4.778 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)cc1OC 2344344095 HCBBDFYDBIYZSR-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)ccc(F)c1F 2344347810 FLGMUOHIVZBMFX-LSDHHAIUSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H](C)c1ccccc1)NC 2344349646 VGDNODJGYPPFDD-JQHSSLGASA-N 259.437 4.761 30 10 CJEE C=CCC(C)(C)[C@@H](CCC(C)(C)C(F)(F)F)NCC 2344381752 VULFAOAVFXNDPS-GFCCVEGCSA-N 279.390 4.936 30 10 CJEE CCC[C@@H]1CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352067469 FNILIRHXMIJLGH-NVXWUHKLSA-N 285.541 4.871 30 10 CJEE CN(CC(C)(C)CC(F)F)C[C@@](C)(CS)C(C)(C)C 2352081232 CQKHBFBEZLROSA-HNNXBMFYSA-N 295.483 4.582 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCCC[C@@H]1C(C)(C)C 2352226490 VZWOPMSLLAJTTN-WOSRLPQWSA-N 284.465 4.744 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@@H]2OC 2354407354 LFZFIPIEVYQTGO-XLAORIBOSA-N 281.484 4.660 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355161689 DXZGBRIHEPBXJA-ARKGTOAJSA-N 285.422 4.638 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H]1CC[C@H]1C(F)(F)F 2358405004 ZIORTBHUTYAXNK-RBSFLKMASA-N 289.385 4.527 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359104552 RZWBJDVOMMCBDA-XYJFISCASA-N 280.452 4.901 30 10 CJEE CCC(C)(C)c1ccc(OCc2cccc(C#N)c2)cc1 20562364 JZZMEMRFZRCHDF-UHFFFAOYSA-N 279.383 4.825 30 10 CJEE C=CCSc1nc(C)cc(/C=C/c2ccccc2)c1C#N 33373149 SDJYDNJZTOUFJP-MDZDMXLPSA-N 292.407 4.710 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Sc1cccs1 36926984 NWUZYHKVPCNXMO-UHFFFAOYSA-N 285.315 4.790 30 10 CJEE C=C(C)CNc1cc(Cl)c(Cl)cc1Cl 41579095 ULDLCYPDXZKRKU-UHFFFAOYSA-N 250.556 4.635 30 10 CJEE Cc1c(Cl)cccc1/N=C1/NC2(CCCCC2)CS1 53097583 URBKPZSCXVXGEP-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CCCOc1ccc(N[C@@H](CC#N)c2ccccc2)cc1 55019200 FWVPUKJSWQFDCD-SFHVURJKSA-N 280.371 4.542 30 10 CJEE CC(C)c1cccc(OCC2(C#N)CCCCC2)c1 57545269 WTSADUSPPMTPMJ-UHFFFAOYSA-N 257.377 4.663 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2C)c(C)c1 57687025 IYUBTOAGFRCJHJ-GOSISDBHSA-N 293.410 4.997 30 10 CJEE CCCCCCCCNc1cc(CN(C)C)ccc1OC 59431173 FDAGPTFBGFKOFV-UHFFFAOYSA-N 292.467 4.529 30 10 CJEE CCCCCCCCOCC(=O)c1cc(F)ccc1F 59526378 IFHVIVTXQRFYKR-UHFFFAOYSA-N 284.346 4.525 30 10 CJEE CCCOc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1 83194296 RRYQDYRZVAUWMV-FMIVXFBMSA-N 294.394 4.988 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2c(F)cccc2Cl)C1 87930309 GFZRPCNMXYHAJR-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc(OC)c(F)c2)CC1 87959468 UFAKRJSKYTXHAU-UHFFFAOYSA-N 289.394 4.877 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2c(Cl)cccc2Cl)C1 87973403 MTCYPDTUEDVKIZ-IINYFYTJSA-N 268.187 4.866 30 10 CJEE Cc1cccc(Cl)c1N[C@@H]1CCCCC[C@@H]1C#N 90531442 LXZJHBVXGKWCTG-TZMCWYRMSA-N 262.784 4.533 30 10 CJEE CCc1ccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)s1 91883929 JHUKZMNTIXLULV-BLDCVEFLSA-N 291.460 4.700 30 10 CJEE CC[C@@H]1CCCN(CC2(CS)CCCCCC2)CC1 94581746 ROBICHYXGABEKO-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1nc2ccccc2o1 94589229 DERBNBBDPPJQEM-JTQLQIEISA-N 281.446 4.512 30 10 CJEE CC(C)CC1(CN[C@@H]2CCCCC[C@H]2C#N)CCCC1 94878627 GFISPFQRLAFKFW-DLBZAZTESA-N 276.468 4.655 30 10 CJEE C=CCCc1cc(C(F)(F)F)ccc1OCCC 107475755 YJGSOIJQJQLGTB-UHFFFAOYSA-N 258.283 4.613 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(Br)cc1 109705836 AIUGXSBDJLPPSA-HNNXBMFYSA-N 298.268 4.984 30 10 CJEE C=CCOc1ccccc1CN[C@@H](CC)C1CCCCC1 109951847 YDEFCGVEZYNRQZ-SFHVURJKSA-N 287.447 4.700 30 10 CJEE CCCCCCCN[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 112942350 MIBJPKWVJAFKFP-YQQAZPJKSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@@H](O)C(C)(C)c1ccc(F)cc1 115092604 JGRIPTLMZKKUOV-MRXNPFEDSA-N 266.400 4.825 30 10 CJEE CCCCCCCCCCCc1nc([C@H](N)C2CC2)no1 115861828 UHGKSCZOHNUTOA-MRXNPFEDSA-N 293.455 4.553 30 10 CJEE C=CCN(c1ccccc1[C@@H](CC)NCC)C(C)(C)C 127795853 CTWUNDMHVGOADJ-MRXNPFEDSA-N 274.452 4.538 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Cl)cc1Br 132029245 VXMRBWGBFYPOEZ-VIFPVBQESA-N 288.616 4.869 30 10 CJEE CSc1cccc(Oc2c(C)cc(C#N)cc2C)c1C#N 136720823 FYHJTEBPJAYBDA-UHFFFAOYSA-N 294.379 4.561 30 10 CJEE CCCCCCCCOc1cc(OC)ccc1[C@@H](C)NC 138458069 RCMOJRSPYHPHTA-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CSc2ccccc21 140359361 SIQVKMUTKMZGQA-CVEARBPZSA-N 277.477 4.954 30 10 CJEE CCCCCCCCCCCOc1ccc(C(=O)O)o1 146819485 XUXUCCGVZHPDHE-UHFFFAOYSA-N 282.380 4.887 30 10 CJEE C=C(CC)C[C@@H]1CCCCC[C@H]1CNCC(C)C 155866631 UPGDYZVBMAVUEA-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC(=O)C1(CN)CCCCCC1 158042369 WQOZICONRUMRTD-UHFFFAOYSA-N 281.484 4.996 30 10 CJEE CC#CCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 158342881 PMPRQHWONVXZRC-VIFPVBQESA-N 290.621 4.711 30 10 CJEE CCCCCCCC[C@H](NC)C1(OC)CCC(C)CC1 158444774 HUAQBBWKVTYEQM-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCNC(=O)N1CCC(C)CC1 160691115 ZAZJGEAJZVZDEI-UHFFFAOYSA-N 282.472 4.569 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 167749830 FZYUYNBJXKEKGF-MUGJNUQGSA-N 283.459 4.687 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)CCCOC1 203411055 QUXMHXBSHFCBJW-GOSISDBHSA-N 281.484 4.676 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@@H](C#N)c1cccc(Cl)c1Cl 219586720 AMKKDHCBRHBICC-SWHYSGLUSA-N 297.229 4.726 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@@H](N)C1 226305056 QIFOPWFPGOVHSB-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OCC)c(Cl)c1 228824320 ABEGBRLWKBSIQV-LLVKDONJSA-N 253.773 4.505 30 10 CJEE CCCCCCCCCC(=O)c1cnn2ccccc12 231931178 ZSEMEWPOCGHBGV-UHFFFAOYSA-N 272.392 4.658 30 10 CJEE CCCCCCCOCc1ccc(CNCC(C)C)s1 231974365 WZYMRZURUHHYHP-UHFFFAOYSA-N 297.508 4.981 30 10 CJEE C=CCCCCCNCC1(CC(C)C)CCCC1 232559350 ZRZZVLMKENYUCZ-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE Cc1cccc(NCc2ccc(C(C)C)cc2)c1C#N 232778277 ISYZGELDOCLCHC-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CC[C@@](C#N)(CCCSc1ccccc1C)NC(C)C 233985515 VEMQWIBZUPXNRH-KRWDZBQOSA-N 290.476 4.538 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Cl)c(C)c1 235756215 CNSRUXXNZKIFNA-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(F)cc1Cl 236270693 OBTWWJHFNUTUIW-CQSZACIVSA-N 295.144 4.809 30 10 CJEE C=CCCCCC[C@@H](N)[C@H]1CCC[C@@H](C(F)(F)F)C1 236315326 KSRNZDDKDYTVJW-BFHYXJOUSA-N 277.374 4.819 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]([C@H](C)N)C1 250835967 UXXHNQNJCKRCJI-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC 251196336 DZSBGITVNQMZSY-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@H]1C 253036188 IFLIKFRSLUHHRU-KSZLIROESA-N 283.500 4.920 30 10 CJEE C=CCCCCNc1nc(Cl)c(Cl)cc1Cl 309252642 BQQFUDJNGWYCRL-UHFFFAOYSA-N 279.598 4.810 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccsc2Cl)CC1 312698457 RLZHBKDSFABXDV-GLWUULTISA-N 297.851 4.935 30 10 CJEE Cc1cc(NCc2cc(Cl)sc2Cl)ccc1C#N 312771064 RGINOCLCVCLCJQ-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE C[C@@H]1CC[C@@](C=O)([C@H](C)c2ccc(Br)cc2)C1 316747584 QAYMSFPSBZPIQM-LALPHHSUSA-N 295.220 4.558 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2OC)C1 316775734 FMQWMXZQYRRYFX-SUMWQHHRSA-N 294.822 4.677 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCC[C@H](CC)C2)CC1 316812732 JKLIOAVMVUEPIO-VUROTCPHSA-N 250.426 4.988 30 10 CJEE CCCCCCCC(=O)c1c(F)ccc(F)c1OC 382136237 MZPGEFUCEOHSST-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE CCCCCCC[C@H](NCCC)C1CC(F)(F)C1 383350752 AUSXHRGTTZRNFW-AWEZNQCLSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H](C)C1(C)CC1 385518908 TZIYVONINQVBAX-SJORKVTESA-N 282.516 4.575 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@H](C)C1 387183290 OSHZJSWFLLWKQN-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H](CNCCC)O1 388799594 PAJVTFKPWTZMDO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncc(CC)s1 394740068 XVAQFVAMYSRVKA-CQSZACIVSA-N 269.454 4.880 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(CC)s1 398122525 RRXBEPYMAPEQEU-CHWSQXEVSA-N 251.439 4.706 30 10 CJEE CC(C)c1ccccc1N=C1N[C@@](C)(C(C)C)CS1 398496157 HZLLANJQGVWSIQ-MRXNPFEDSA-N 276.449 4.549 30 10 CJEE CC(C)c1cnn([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c1 402070344 MXCAOLWVSPFUKM-NUEKZKHPSA-N 273.424 4.534 30 10 CJEE CC[C@@H](CNc1ccc(Cl)cc1C#N)CC(F)(F)F 402652195 HGVJPMJHVJGCNW-SECBINFHSA-N 290.716 4.602 30 10 CJEE C=CCC(C)(C)CO[C@H]1CC(C)(C)CC[C@H]1NCCC 403866741 RMUTUFNVINVVOC-CVEARBPZSA-N 281.484 4.552 30 10 CJEE C[C@@](C=O)(Cc1c(Cl)cccc1Cl)c1ccccc1 405629938 VZZDHTQDEUILPR-INIZCTEOSA-N 293.193 4.693 30 10 CJEE N#CCc1c(F)cccc1-c1cccc(Cl)c1Cl 514261885 KFGVFAXAPIMQCB-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=C(Cl)Cc1c(O)c(Cl)cc(Cl)c1Cl 606297326 SDTNCJCJAGDSIW-UHFFFAOYSA-N 271.958 4.647 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)C[C@H](C)O[C@H]1C 686446196 DZKUJFMARKCBIP-ZOBUZTSGSA-N 284.440 4.786 30 10 CJEE C#CCCCCCC1(C(=O)O)CC(C)(C)CC(C)(C)C1 686677478 IDWKSLGARVDCCF-UHFFFAOYSA-N 278.436 4.877 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(F)ccc1F 686697395 POXZICOMFHZDGY-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(C(F)F)c1 692235015 NWWSHPNXVKBWFO-ZBFHGGJFSA-N 279.374 4.849 30 10 CJEE Cc1cccnc1SCC1(CS)CCCCCC1 692633365 OGDKQJRKPSTARM-UHFFFAOYSA-N 281.490 4.753 30 10 CJEE CCCCCCCCCc1ccsc1CNCCOC 693092109 RNNSWUOBPMQSFA-UHFFFAOYSA-N 297.508 4.777 30 10 CJEE C[C@H]1CC(CNc2cccc(Cl)c2C#N)C[C@H](C)C1 695265187 MXCOSJYNOLLEDM-VXGBXAGGSA-N 276.811 4.696 30 10 CJEE CC1(C)CCC[C@@H](NCc2ccc(C#N)cc2Cl)CC1 697604354 OAMFDWLIMWISNP-OAHLLOKOSA-N 290.838 4.660 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 703773108 XZKLUONHEYURRU-IAOVAPTHSA-N 270.420 4.739 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1sccc1C 703988374 JNFXHAKCFTYOSN-CYBMUJFWSA-N 251.439 4.700 30 10 CJEE CCCCCCCCCC[C@]1(N)COC[C@@H]1C(C)C 704985053 SHDYABOXDGERFK-SJORKVTESA-N 269.473 4.517 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)[C@@]12CCCC[C@H]1C2 709204093 OHTSYPPAOJQADC-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCCCC1(C)C 710663695 LTMOYVYXCZNKPW-KBPBESRZSA-N 257.849 4.714 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2cc(Cl)ccc2C)C1 710736344 DIRREMABONWOBU-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE CCCCCCC[C@]1(C)C(=O)CCN1C1CCCCC1 711975943 NHDPOXBGGKTTKW-GOSISDBHSA-N 279.468 4.713 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2sccc2s1 715720558 OAAFBAXIKNJZQF-HZMBPMFUSA-N 265.447 4.826 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 715734573 URYPVTYKPDTPGE-RNCFNFMXSA-N 291.744 4.832 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cccc2ccccc12)NCC 715830978 PLCBUPVHWKHTOT-HNAYVOBHSA-N 267.416 4.573 30 10 CJEE N#Cc1ccc(NCCc2ccc(Cl)c(Cl)c2)cc1 716321561 YRQIWEGHQKQKMQ-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE C#CCCC[C@H](NCCC)c1csc(C(F)(F)F)c1 718616358 PEHGVBQVDCFOOY-LBPRGKRZSA-N 289.366 4.611 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(Cl)c(C)c2)CC1 724549507 NTHGWCBWJRPEGW-INIZCTEOSA-N 263.812 4.785 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)cc2OC)CC1 724574492 DGBYTQGNEOANCU-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE Cc1sc2ccc(CC#N)cc2c1SC(F)(F)F 725314706 SYMGPZACIJKJOQ-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCCC[C@H](N[C@H](C)c1ccnc(O)c1)c1ccccc1 926856780 ZKJTYSNRYOEMFP-QAPCUYQASA-N 296.414 4.535 30 10 CJEE Cc1ccc(NN=Cc2cccc(Cl)c2)cc1Cl 1084113962 HYFGMBSUUHBOHV-UHFFFAOYSA-N 279.170 4.748 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@H]2CCCC)CCCCC1 1125775748 XOSYHQDDWMFIDF-IAGOWNOFSA-N 291.479 4.988 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H]1CCCC(C)(C)C1)c1ccccc1 1128175022 YJDLUMCJMDNNKH-ZWKOTPCHSA-N 299.458 4.821 30 10 CJEE C=CCC1(NC(=O)c2ccc(C3CCCC3)cc2)CCCC1 1131251391 HNKBDFXVRDHSHE-UHFFFAOYSA-N 297.442 4.963 30 10 CJEE C=C1CCC(CNC(=O)[C@@H](C)CCCc2ccccc2)CC1 1133544103 RLWVSNOJJMZNLY-KRWDZBQOSA-N 299.458 4.508 30 10 CJEE C=CCC1(NC(=O)/C=C(/C)c2ccccc2C)CCCCC1 1140821371 OOCHKBNDXWDBSH-ICFOKQHNSA-N 297.442 4.794 30 10 CJEE C=C(C)CCN[C@H](CC(C)C)c1cc(Cl)ccc1OC 1168623112 SGAYMEQWFHCGFP-MRXNPFEDSA-N 295.854 4.992 30 10 CJEE C=CCCCCCN1CCc2cc(C(F)(F)F)ccc2C1 1175140101 KTQKVFHOLOZPNP-UHFFFAOYSA-N 297.364 4.810 30 10 CJEE C=CCCSc1nnc(Nc2ccc(C)c(C)c2)s1 1188129947 XVDOBVZVECGEEC-UHFFFAOYSA-N 291.445 4.567 30 10 CJEE C=C(C)CN(CC)CC(c1ccccc1)c1ccccc1 1205108367 PPVCVEQAXVIFHK-UHFFFAOYSA-N 279.427 4.717 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CC2(CCCCCC2)[C@H]1C(C)C 1287906883 YDPGGHQRBHEZRT-SJLPKXTDSA-N 291.479 4.796 30 10 CJEE C=C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1299555550 FDHQMAYBNFQESG-RCCFBDPRSA-N 299.458 4.629 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(CCCC)cc1 1353217510 BTJGZTJPQRNSLM-AWEZNQCLSA-N 259.393 4.570 30 10 CJEE C#Cc1ccc(NC(=O)CC2CCC(C(C)(C)C)CC2)cc1 1439960460 HDCJVYOKMNEFOH-UHFFFAOYSA-N 297.442 4.849 30 10 CJEE C=CCCCCCCCNc1ncc([N+](=O)[O-])cc1Cl 1458411930 CHHRHSWPHRJOPC-UHFFFAOYSA-N 297.786 4.582 30 10 CJEE C=CCC[C@@H](C(=O)OCc1ccccc1C)c1ccccc1 1458808761 KLQYBBQFAXDLIG-LJQANCHMSA-N 294.394 4.788 30 10 CJEE C=C(CC)CSc1cc2ccccc2cc1C(=O)OC 1459276108 VLPPPJXBEYVUNW-UHFFFAOYSA-N 286.396 4.685 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc2c(c1)CCCC2 1459913914 FUDUBWNHXDNYOP-QGZVFWFLSA-N 283.459 4.800 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCC[C@H](OC)CC1 1462150827 PJAQTJPACJKONJ-IRXDYDNUSA-N 273.420 4.565 30 10 CJEE C=CC(C)(C)NC(=O)Nc1ccc(Cl)cc1C(C)C 1467049965 HFNWQNDFRRIYOB-UHFFFAOYSA-N 280.799 4.550 30 10 CJEE C=C(C)CCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 1473310107 ZTJUHIMQBPHWIL-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2CCCC3(CCC3)O2)CCCC1(C)C 1473431489 FIPBXPWWCNLFFF-IRXDYDNUSA-N 291.479 4.545 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(C2CCCC2)cc1 1473434157 NSFYOYVWRKVQJK-LJQANCHMSA-N 269.432 4.885 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)Cc1cc(C)oc1C 1474404797 HGPFCNLAHKJUEV-UHFFFAOYSA-N 295.835 4.800 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@H](C)C1CCCCC1 1474576523 PBOCTVADUPNASG-PXNSSMCTSA-N 285.475 4.980 30 10 CJEE C=CCCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 1519089352 RLWKBJZHTHCRJX-QGZVFWFLSA-N 291.822 4.654 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H](CC)CCC)c1ccccc1 1519872719 GDKZJIUXVXGPSF-QZTJIDSGSA-N 287.447 4.821 30 10 CJEE C=C(C)CCNC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1526310086 KSUKIEBPPBEKPZ-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@H](CC)C2)CCCCC1 1530098956 OZVQDSHGQYDDSQ-HOTGVXAUSA-N 277.452 4.598 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1532344915 MPWFOKSABSFSDE-QAPCUYQASA-N 287.447 4.801 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H]1CCCCC1(C)C 1532845042 MFMUPRDUHIPUKW-GOSISDBHSA-N 299.458 4.808 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 1544688304 DMUPDLYQLRQZSO-MRXNPFEDSA-N 299.458 4.626 30 10 CJEE C=C(C)CN1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 1559979893 OAJCKTRIEAQHSG-FQEVSTJZSA-N 285.475 4.957 30 10 CJEE C#Cc1ccc(CN(CCCC)[C@@H]2CCC[C@@H](C)C2)cc1 1560856657 QKRFUPWEKHJOEB-YLJYHZDGSA-N 283.459 4.849 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1CCN1C1CCCCCC1 1560973109 JQGMPNZJJHCXCQ-MJGOQNOKSA-N 292.511 4.508 30 10 CJEE C=CCCCCCCCCNC(=O)C1(C)CCCC1 1596114348 JWCLJCOXLGJQTP-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=C[C@H](OC(=O)[C@@H](CC)Cc1ccccc1)c1ccccc1 1617550950 ZHRZQWDKTFNQRY-HKUYNNGSSA-N 294.394 4.726 30 10 CJEE C=CCCCCCSc1cc2c(cc1Cl)OCCO2 1651799502 NYZBPFUTWRDJSF-UHFFFAOYSA-N 298.835 4.950 30 10 CJEE C=CCC[C@H](CCC)Nc1c[nH]nc1-c1ccccc1 1652133775 QWCVXVCXUZHDNI-HNNXBMFYSA-N 269.392 4.624 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H](c3ncccc3C)C2)cc1 1653224991 UCQASKBUUJWGJP-HKUYNNGSSA-N 290.410 4.510 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CCCC(C)(C)C1 1658356569 HAIOUHPIAVCWJP-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C#CCCCCCCN1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C 1658793737 NBILICOVLZNDMT-HBFSDRIKSA-N 283.459 4.837 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc2c(c1)C[C@@H](C)O2 1660107508 OCXJQBPOIBNAKJ-HUUCEWRRSA-N 273.420 4.947 30 10 CJEE N#CCc1ccncc1-c1c(Cl)ccc(Cl)c1Cl 1848375040 DFTBYQYDWFDBRE-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C/C(=N\OCc1ccc(Cl)cc1F)c1ccc(F)cc1 1857936643 XDRJSWJGWQTKPF-VXLYETTFSA-N 295.716 4.559 30 10 CJEE CC#CCCCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 1879657641 AFNDZYNQMAJCNU-MAUKXSAKSA-N 256.389 4.579 30 10 CJEE C=CC1(Cc2cccc(OCC(F)(F)F)c2)CCC1 1879827438 PBUYHGIWAXAEKY-UHFFFAOYSA-N 270.294 4.527 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)(C)C)CCCC1(C)C 1887451290 DEDPSRCSBUYSMQ-YJBOKZPZSA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](CC1CCCCC1)NCC 1888674120 JKNCJLYWQSYVMD-GOSISDBHSA-N 257.421 4.648 30 10 CJEE C[C@@H]1CCC[C@@H](N=C2NC3(CCCCCC3)CS2)[C@@H]1C 1911985101 HRIUOWUCRPIKFR-RBSFLKMASA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@H](NCCC)C(F)(F)C1CC1 1912544144 WAHZBQBOXFHWEK-AWEZNQCLSA-N 261.400 4.760 30 10 CJEE C=CCN(CCCCCCCC)CC(=C)Br 1916878742 QOORSTYGQFZDLF-UHFFFAOYSA-N 288.273 4.744 30 10 CJEE C=C([C@@H](O)C1(c2ccccc2)CCCCC1)[Si](C)(C)C 1923023299 DDGJTIWLMOPMMV-QGZVFWFLSA-N 288.507 4.683 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](C)C1CCCC1 1924113175 ZIDPHAQIIOZWKW-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE N#C[C@H]1CCC[C@H]1N(Cc1ccccc1)C1CCCCC1 1932018479 CFQOIBKHFPFFMS-IEBWSBKVSA-N 282.431 4.514 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)sc1C 1939339958 SJCYXZAKCAZUIO-SNVBAGLBSA-N 257.830 4.544 30 10 CJEE CC(=O)C=Cc1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1951968672 SCEKQUAYHSPNCF-CYBMUJFWSA-N 262.418 4.501 30 10 CJEE C=C(COCc1ccccc1)C(=O)c1ccccc1C1CC1 1958695797 WZKBRRPTZHEHNC-UHFFFAOYSA-N 292.378 4.520 30 10 CJEE C=C(C)CC[C@@H](C)NCc1ccc(F)cc1C(F)(F)F 1964566622 IAWHGACCIFGJEC-LLVKDONJSA-N 289.316 4.679 30 10 CJEE Cc1c(Br)cccc1C[C@]1(C#N)CC=CCC1 1997600356 VYGFEIXCOSANSS-HNNXBMFYSA-N 290.204 4.550 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(Br)c(C)c1 2017166698 ZWFTYOKAHUXONP-IAQYHMDHSA-N 296.252 4.620 30 10 CJEE CCCCCCCCN(C)c1ncccc1Br 2019938729 OJFGURBZUHIJEK-UHFFFAOYSA-N 299.256 4.641 30 10 CJEE CCCCC#CCNc1cc(F)c(Cl)cc1Cl 2024341511 KNAXQNPRSSGNOU-UHFFFAOYSA-N 274.166 4.738 30 10 CJEE C=CC[C@H](C)c1nnc(C2CCCCCC2)s1 2025007496 SAAXIGMIMHPEFO-NSHDSACASA-N 250.411 4.656 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2029609700 RWACKOSQHKGCGD-VGWMRTNUSA-N 252.442 4.780 30 10 CJEE C=C(C)CC[C@H](NCCC)C1C[C@@H](C)C[C@H](C)C1 2030233352 FHGYAMNWFAUJKA-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@H]1CCN1CCCCCCCCCS 2034884773 ZNKUHLAGOBWPGO-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE N#C[C@@H](C(=O)c1cccc(Cl)c1Cl)c1ccsc1 2035110062 GKYFIUGKXSNHTH-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)C[C@H](OC)C1(C)C 2038961048 CIALHLDGGQUVJO-DZKIICNBSA-N 251.414 4.548 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)ccc1Cl 2040521353 GMMWXZVSQGBGRT-BBRMVZONSA-N 265.828 4.901 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1csc(C)c1C 2045995689 SAVVZTLSLJMYHB-LSDHHAIUSA-N 265.422 4.509 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2047340705 MJGHWZSEVMXJLO-MQYQWHSLSA-N 255.352 4.778 30 10 CJEE N#CC1(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CCCCC1 2047375552 QHBDEOIQHSPSRQ-FRRDWIJNSA-N 253.336 4.532 30 10 CJEE Cc1ccc(C)c(SCC2(C#N)CCCCC2)c1 2047531068 OOUVSRUGAJISDR-UHFFFAOYSA-N 259.418 4.870 30 10 CJEE C#CC(C)(C)C[C@@](CC)(CCCC)CNCCC 2048678822 QWIHFHGSBDJKGH-QGZVFWFLSA-N 251.458 4.622 30 10 CJEE C=C1C[C@@H]1CC[C@H](NCCC)c1cccc(Cl)c1 2050539873 TUJXFTZWXFQCCB-BBRMVZONSA-N 263.812 4.737 30 10 CJEE C=C1C[C@H]1CC[C@@H](NCCC)c1cccc(Cl)c1 2050539875 TUJXFTZWXFQCCB-CZUORRHYSA-N 263.812 4.737 30 10 CJEE CCCCCCCN(C)[C@@H]1CC[C@@]2(C(C)C)C[C@H]12 2058641717 BYMRBQZHDVSLGE-ZACQAIPSSA-N 251.458 4.713 30 10 CJEE C=CCCCCC1(CNCCC)CCC(C)CC1 2059115612 UCGURDUNHPOHDI-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@](C)(N)C(F)(F)C(F)(F)F 2062147259 SFSINBAGXNNZKT-JTQLQIEISA-N 275.305 4.652 30 10 CJEE CC[C@](C=O)(C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)C(C)C 2064512680 ROYFPQSTVUUBBO-QBYUYEEZSA-N 250.426 4.700 30 10 CJEE C=CCCCCCC(=O)C(F)(F)C1CCCCC1 2065526709 WKKRTZDXXAJVQX-UHFFFAOYSA-N 258.352 4.908 30 10 CJEE CCCCCCCCC[C@@H]1CCN[C@H](C2CC2)C1 2073771592 IBGQQUXNDCZSCN-WBVHZDCISA-N 251.458 4.905 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@@H]1C(C)(F)F 2074909800 WUSQENNDXIJJSC-KBPBESRZSA-N 261.400 4.570 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(SC)s1 2075370157 LFSUYXGTOWHCAS-ZDUSSCGKSA-N 281.490 4.704 30 10 CJEE C=CCCCC[C@@](C)(N)c1ccc(C(F)(F)F)s1 2075824466 TYMUBHRJKHVETC-GFCCVEGCSA-N 277.355 4.687 30 10 CJEE C=C([C@@H]1CCCC(C)(C)[C@@H]1NCCC)C(C)(C)C 2076400770 IAJGRLOZHQOMIN-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CC1(CNc2cc(OC)c(Cl)cc2Cl)CCC1 2083043607 IOVXXACXPGODCB-UHFFFAOYSA-N 286.202 4.770 30 10 CJEE C=CCCCCCC[C@H](O)C12CCC(F)(CC1)C2 2085840630 AALPLMCUSVVLQI-FHERZECASA-N 254.389 4.546 30 10 CJEE C=CCCCCCC[C@H](O)C1(C(F)(F)F)CCC1 2085847470 PRKJQXBJCXIQNE-LBPRGKRZSA-N 264.331 4.607 30 10 CJEE C=CCCCCCCCC[C@@](C)(O)c1ccoc1 2086262855 AODXUXSFSPWSKO-MRXNPFEDSA-N 250.382 4.794 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H](CC(C)C)C(C)C 2088622105 IXMXONYPKAMQSD-IAGOWNOFSA-N 265.485 4.722 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)CCCC1(C)C 2093032445 YWSFJAZJNVPHMC-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE 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4.959 30 10 CJEE CC(C)[C@H]1CC[C@H](C)N(CCCCCCCS)C1 2263208878 WZLQSAKVOUUFFL-HOTGVXAUSA-N 271.514 4.623 30 10 CJEE C=C(C)[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2263311985 XFONRODMQVZQTH-LLVKDONJSA-N 277.355 4.692 30 10 CJEE C=CCCCCCC[C@H](O)C1(C)CC(C(F)(F)F)C1 2264670711 LKXJHGLRIPTYON-MOKVOYLWSA-N 278.358 4.853 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CC(F)(F)C23CCC3)C1 2266257970 ADJXMWUXAHPZAW-RDBSUJKOSA-N 267.363 4.922 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CC(=O)CC2(CCC2)C1 2268769813 QHYAYCYSFGMIEG-HNNXBMFYSA-N 258.405 4.522 30 10 CJEE CCCCCCCCCCN1CC(C)(C)OC[C@H]1C 2268799314 VTPYYXBXROFJBT-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE C[C@@H]1C[C@H]1CCCCCOc1cc(Cl)cc(C#N)c1 2269399849 WFYKFIBABUXLRI-TZMCWYRMSA-N 277.795 4.807 30 10 CJEE CC[C@]1(C)CSC(=NCC[C@H](C)CCCC(C)C)N1 2272260033 HXPKVEZAQKQHEA-GDBMZVCRSA-N 284.513 4.700 30 10 CJEE CCCCCCCCOCC[C@H]1CCCC[C@@H]1NC 2273199937 KLLWWNQGTIRNOR-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C([C@H](NCCC)[C@@]12CCCC[C@@H]1CC2)C(C)(C)C 2273338647 YXFICEVFIGXLDF-SOLBZPMBSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1ccc(C)s1 2275611778 NCZGVXZHOWJLFL-CYBMUJFWSA-N 284.421 4.559 30 10 CJEE CCCC[C@](C)(C#N)c1ccc2cccc(Cl)c2n1 2277661741 XWTRXIKFGXYLMA-MRXNPFEDSA-N 272.779 4.860 30 10 CJEE C=CC1(C[C@H](O)c2sc(C(F)(F)F)cc2C)CCC1 2277682320 WTVSXHJPBXPPNB-JTQLQIEISA-N 290.350 4.855 30 10 CJEE CC[C@@H]1NC(=NCC[C@@H]2CCCCC23CC3)S[C@@H]1CC 2279724791 AYHKBPYJOLSRCC-SOUVJXGZSA-N 294.508 4.597 30 10 CJEE CSc1cccc(NCC[C@@H]2CCCC23CC3)c1C#N 2281385467 VZPUQMLZIRVPSM-ZDUSSCGKSA-N 286.444 4.662 30 10 CJEE CCCCCCCCCC(=O)c1cc(F)c(N)cc1F 2283398779 DVMAESYKRFLLMZ-UHFFFAOYSA-N 283.362 4.870 30 10 CJEE CC[C@](O)(CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2284070048 AVOSFENROALWFF-SFHVURJKSA-N 290.834 4.933 30 10 CJEE CCCCCCC[C@@](C)(N)Cc1cc(OC)ccc1Cl 2284385093 NQCZOLBRPIQWQS-QGZVFWFLSA-N 297.870 4.969 30 10 CJEE C=C1CCC(CN2CCC(c3ccccc3)CC2)CC1 2285309198 UVGOWTRSMVTWPF-UHFFFAOYSA-N 269.432 4.612 30 10 CJEE C=CCC[C@@]1(C)C[C@@H](NCC)c2cc(Cl)c(C)cc2O1 2286477237 CKHAOKNPKCVELA-WBVHZDCISA-N 293.838 4.806 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@@H]1c1ccccc1 2287409719 YECKLPWJCXSGKZ-QRVBRYPASA-N 271.448 4.905 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H](OCC)C1CCCCC1 2287465538 AQWHLPUCVSICBF-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccccc1F)NCCC 2287468624 WZWLPEBZKITUIV-QGZVFWFLSA-N 277.427 4.873 30 10 CJEE C#CC12CC(CCN1CCCCCCCCCC=C)C2 2288685902 PITOKIDBQSRDOO-UHFFFAOYSA-N 273.464 4.781 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1C(C)=CCC[C@H]1C 2289612590 OGOWZSLYVBAANM-QRQLOZEOSA-N 273.464 4.541 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC(C)(C)C2)c(F)c1F 2289806190 AKZMFCIOIGSPTJ-QGZVFWFLSA-N 277.358 4.926 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CCCC12CC2 2289852929 VNCNHGAUGATPLF-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE C=CC[C@@H](CNCCC)Cc1cccc(C(C)(C)C)c1 2290287233 WOWQUXLPIWZXDF-QGZVFWFLSA-N 273.464 4.719 30 10 CJEE CCCCCCCC[C@](C)(CC=C(C)C)OCC(=O)O 2291144734 ZMUOFNVVAZHIHF-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C1CCC(C[C@@](C)(CCCCC)OCC(=O)O)CC1 2291425642 KMRPQSWMBNJIPW-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCCC12CC2 2291778055 WHDWDSKDKCNTFO-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CC[C@H](C)[C@@H](C)C1 2292767433 IUPWCHYKMIBCKR-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCC[C@@]1(OCCN)CCCC2(CCCCC2)C1 2293898361 KELUNQPDECWAOB-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](CC1(C(C)C)CCC1)OCCN 2293963865 IJHSVSGOQNBABB-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H]1CCCC2(CC2)C1 2294361837 LQQBOKCYVYSDNC-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=CC1(C[C@H](OCCCN)C(CCC)CCC)CCC1 2294542200 TWCXNDBDYNWFIH-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C[C@@H](CC)CC(F)F)OCCN 2294563819 WVJYGBXLZFROQD-HUUCEWRRSA-N 293.442 4.762 30 10 CJEE C=CCCCC[C@@](C)(OCCN)c1cc(C)cc(Cl)c1 2294651565 MMOMXONHQPBMEJ-QGZVFWFLSA-N 295.854 4.585 30 10 CJEE Cc1c(C)c(C)c(C[C@@]2(C=O)CCC[C@H]2C)c(C)c1C 2294720342 AXVPRCATCHZIOL-CWTRNNRKSA-N 272.432 4.777 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CC(C)C)C(=O)O 2295679451 PKXOXQZRNQXEHA-RDJZCZTQSA-N 286.456 4.625 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](OC)C1 2295685978 CMTAYIFUXAMVMA-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCCC[C@@H]1CO 2295688557 HDYKNRARJNKNHE-KURKYZTESA-N 283.500 4.656 30 10 CJEE CCCC[C@H](CC)CSC[C@@](N)(C#N)C1CCCCC1 2295766613 OXKRHGWENHTFRB-RDJZCZTQSA-N 296.524 4.737 30 10 CJEE Cc1c(C(=O)C=Cc2ccc(C#N)s2)oc2ccccc12 2297784177 FPQUQFATBZPPIQ-UHFFFAOYSA-N 293.347 4.571 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H](CC)CC(F)(F)F 2304051246 FBZXGYWVJWUPOK-JTQLQIEISA-N 250.304 4.527 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2321103249 XXVVSZDPTKCNTL-XPTSAGLGSA-N 290.209 4.995 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(OC)c(Cl)c1 2321138229 PYWLHIHQGRCVPR-HNNXBMFYSA-N 266.768 4.524 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc2cccc(Cl)c2o1 2321139578 AEPXSYRNYUFEMR-AWEZNQCLSA-N 263.768 4.688 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330172737 ZNUIUQBDRKENIQ-XGUBFFRZSA-N 273.411 4.616 30 10 CJEE C=C(C)CC[C@@H](C)NC[C@@H]1C[C@H]1C1CCCCCC1 2332749311 CLINCTBRMQASGL-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)CC[C@H](C)OC 2336947309 RZYSJHNEFHHSQX-KXBFYZLASA-N 291.501 4.599 30 10 CJEE CC(C)CCC[C@](C)(O)[C@]1(C#N)CCCC(C)(C)C1 2337651543 QFWFPCVYHLXSOX-DLBZAZTESA-N 265.441 4.674 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCCC1(C)C 2338733719 VEZNCOXGJINFCN-IAGOWNOFSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1csc2ccccc12 2338741504 OAPXAIJASOURMH-KRWDZBQOSA-N 271.429 4.930 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCC[C@@H](F)C1 2338746337 FLQNHERVVYYYDY-BBWFWOEESA-N 267.432 4.651 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccccc1C)NCCC 2344335714 BVRXPPGMPYSZIT-KRWDZBQOSA-N 259.437 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccccc1CC 2344341421 BRMYDHWTDQJEAS-ZWKOTPCHSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(F)c(C)c1Cl)NCC 2344345502 NKNPWUYSEONEMG-XHDPSFHLSA-N 283.818 4.520 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cccc(C2CCCC2)c1 2344381508 VNFCDAVYMOYEHD-KRWDZBQOSA-N 257.421 4.946 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CC[C@H](c2cccs2)C1 2352178939 OMTBZGBUVCLFKS-XJKSGUPXSA-N 297.533 4.520 30 10 CJEE C=C[C@H](C)C[C@H](O)CC1CCC(CC(F)(F)F)CC1 2353169493 LGQQGNLMTKYJHC-ABXWRUBCSA-N 278.358 4.708 30 10 CJEE CCCCCCC[C@](C)(C(=O)O)N(CC(C)C)C(C)C 2353867033 HYRPMQPXMIBWFX-QGZVFWFLSA-N 285.472 4.557 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1[C@H]2CCCO[C@@H]12 2355555539 ZXNYYZALZJBSQB-ZJPYXAASSA-N 281.484 4.530 30 10 CJEE CN[C@@H](CC#CC1CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C 2359893391 JXOBWNDBWIAQTE-HHXXYDBFSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@@](C)(OC[C@@H]1C[C@@H]1C)C(=O)O 2360175320 GCKBGRRVSVMDFF-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@H](C)CC1CC1 2360339697 LBOSSUXCKTVBPZ-BPQIPLTHSA-N 283.500 4.512 30 10 CJEE CC[C@H](C)c1ccccc1OCc1ccccc1C#N 21059212 MKXZQORWQFJXEZ-AWEZNQCLSA-N 265.356 4.651 30 10 CJEE C/C(=N\c1ccc(Br)cc1)c1ccccc1 35977001 NVGPJBDDPVXJDJ-LFIBNONCSA-N 274.161 4.590 30 10 CJEE Cc1ccc(C)c(SCCCOc2ccccc2C#N)c1 37143666 XRVTURFTNSWYJZ-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC[C@@H]2C)C1 37145685 NLZPKHTZVAGBJO-MWDXBVQZSA-N 276.468 4.605 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(CC#N)cc2)s1 41204305 JLQCRSXGUWMQOA-LBPRGKRZSA-N 270.401 4.550 30 10 CJEE CCC(C#N)(CC)CCCOc1ccc(C)cc1C 57714555 XCLYFSRQAVOMSD-UHFFFAOYSA-N 259.393 4.792 30 10 CJEE CCCCCCCCOc1cccc(CNCCC)c1 59178824 XMDDWKJYKZGCFL-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(c1)CCC2 59283949 FODQIPWYAMLECK-GOSISDBHSA-N 259.437 4.796 30 10 CJEE Cc1ccc(/N=C2\N=C(O)S\C2=C\c2ccccc2)cc1 83318526 NGIOJRXZYMYTPT-RVDMUPIBSA-N 294.379 4.727 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2c(C)cc(C#N)cc2C)C1 88154678 AUPTXEWDKRLXQL-ZBFHGGJFSA-N 257.377 4.523 30 10 CJEE CCc1ccccc1N/C=C\C(=O)c1ccc(C)c(C)c1 103030544 IBFZAPCVXNBNMC-QXMHVHEDSA-N 279.383 4.674 30 10 CJEE CCCCCCCO[C@@H](c1cccs1)[C@H](N)CC 103454440 TXMVBEYSVLPFPF-UKRRQHHQSA-N 269.454 4.514 30 10 CJEE CCCCCCCCCn1ccnc1-c1cccc(N)c1 105314264 AZJAGCSTENWWSN-UHFFFAOYSA-N 285.435 4.883 30 10 CJEE C=CC[C@H](C)c1ccc(OCc2ccccc2)cc1 107579267 KXSHRUKXWCGNIP-HNNXBMFYSA-N 252.357 4.945 30 10 CJEE CCCCCCC[C@@H](N)Cc1cccc(Br)c1 109719511 HDPHIKAGVOXDOX-OAHLLOKOSA-N 298.268 4.679 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@H](O)c1ccccc1 110023330 DVYJIIVKGAPOJN-ZWKOTPCHSA-N 278.436 4.876 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2)cc1Cl 110252886 YFYYIFLLVHOGHT-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264879 QACOLCUZFZETFJ-HSFUPAIVSA-N 290.495 4.851 30 10 CJEE Cc1ccc(C)c(Sc2cc(Cl)ccc2C#N)c1 110354127 FENILYCUBNRGHW-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCC[C@@H](CSC(C)(C)C)NCC 115645028 MRRLHPPIOAXUCQ-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCCNC(=O)OC(C)(C)C 123483590 QIFCZQZEDBWKAX-UHFFFAOYSA-N 257.418 4.652 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC 125735314 RRSMSLUDJHSPEW-MRXNPFEDSA-N 299.380 4.972 30 10 CJEE CC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 126262390 SAKBPTNYKPKCSY-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCC(=O)c1ccc(OC2CC2)cc1 127925223 PDJOKMGSROYUEX-UHFFFAOYSA-N 260.377 4.771 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2nccc(Cl)c12 133628363 DNOJESZWWLPUFG-UHFFFAOYSA-N 278.783 4.760 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@@H]1CCCC1=O 149810881 CEMJZUVFIPKVQF-DLBZAZTESA-N 279.468 4.571 30 10 CJEE CCCCCCCCCCCC[C@H](NCC)c1c[nH]nn1 157369941 GHBZVIDSLZOHJF-INIZCTEOSA-N 294.487 4.766 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(F)cc1C 159887290 ZPCHDDVYPIFPBQ-QGZVFWFLSA-N 266.400 4.788 30 10 CJEE C=C(C)CC[C@H](Cc1cccc(Cl)c1)NCCC 164508180 BQOGZFPQZWLRIM-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2F)C1 164658486 ZCHVOUMYXAXIGS-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C=CCCCC(=O)Nc1c(CC=C)cccc1C(C)C 189872096 IMPVZFPATGQBCU-UHFFFAOYSA-N 271.404 4.833 30 10 CJEE CC(C)Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 229676579 KKIKZOUUMSATHS-MRXNPFEDSA-N 286.463 4.866 30 10 CJEE CC[C@H](C)c1ccc(Oc2nc(C)ccc2C#N)cc1 232342087 QNEYTVJWHQGZPL-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE CCC[C@H](CS)COc1ccc([C@@H](C)CC)cc1 232360695 KBVCZZZGHFHBEC-KBPBESRZSA-N 266.450 4.925 30 10 CJEE CCCCCCCC[C@H]1C(=O)Nc2c(F)cccc21 232926821 RMHAULPXVIHCMA-CYBMUJFWSA-N 263.356 4.612 30 10 CJEE CC[C@H]1CCC[C@H](OCCCCC(C)(C)C#N)C1 234071090 ZERGZHNPZRWBQW-GJZGRUSLSA-N 251.414 4.692 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Cl)ccc1OC 234874690 JFQODWMEOCLMNX-AWEZNQCLSA-N 268.784 4.519 30 10 CJEE C=CCCCCCN[C@H](C)c1ccccc1Br 235205247 BJUVNOLWNLQICI-CYBMUJFWSA-N 296.252 4.846 30 10 CJEE C[C@@H]1CCC[C@H](SCc2ccc(F)c(C#N)c2)C1 235303315 IZYZGBXXYLJHFJ-RISCZKNCSA-N 263.381 4.509 30 10 CJEE C=CCCCCC[C@@H](O)Cc1c(F)cccc1Cl 236548169 LEMYPTWQCXRIMZ-GFCCVEGCSA-N 270.775 4.519 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 252819491 NCYLPPQZISESPV-UMVBOHGHSA-N 288.460 4.907 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1[C@H]2CCC[C@H]21 252907177 VZYKVIBGKNSVNM-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CC(C)Sc1ccc(C(C)(C)C#N)cc1Br 260855816 INOYNRNHVPALCS-UHFFFAOYSA-N 298.249 4.751 30 10 CJEE CC1CCN([C@H]2CCCCCCCCCCC2=NO)CC1 263621933 UJDWZVONLWLTSM-SFHVURJKSA-N 294.483 4.832 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCCc1cccs1 312245616 SJDUWANOONEMQQ-INIZCTEOSA-N 291.504 4.879 30 10 CJEE CC1CCC(C[C@]2(C=O)CCc3ccccc3C2)CC1 317670884 FUDWNYAQBFRBFG-LADRWXRNSA-N 270.416 4.577 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)c(C#N)c1)C1CCC1 322360506 GXCOZCLWYYMXMC-OAHLLOKOSA-N 262.784 4.592 30 10 CJEE C=C([C@H](NCC)C1CCC(CCC)CC1)C(F)(F)F 382462559 YOCBBAGIJINREN-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCCCCCCCC[C@@H]1NC(=O)[C@@H]1C1CCCCC1 385336723 RHLHXGNFNZGQLL-DLBZAZTESA-N 279.468 4.822 30 10 CJEE C=C(C)CCN[C@H](C)C(c1ccccc1)c1ccccc1 395319741 KYSIQEZYPCFKKU-QGZVFWFLSA-N 279.427 4.763 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@H](C)NC1 398962730 OFNHWARUJWSPFC-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCC[C@](C)(F)[C@H]1[C@H]2CN[C@H]1C2 400660089 ROXBEWRZYVVKBE-QZWWFDLISA-N 269.448 4.853 30 10 CJEE CCCCCCCCC[C@@H](CCC[C@H]1CCOC1)NC 400978721 SXBUADCUZDCYRR-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 464537424 XLSKWLDZOOCECB-MLGOLLRUSA-N 291.822 4.510 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H](CN)C1CCCC1 686980687 OGOJYBPNMMHDIC-ZWKOTPCHSA-N 283.500 4.643 30 10 CJEE C=CCCC1(CNC2CC2)CC(C)(C)CC(C)(C)C1 688002108 UHHOWAOEXCTVOV-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CC[C@H](C)OCC1(C#N)CC(C)(C)CC(C)(C)C1 688334961 LAOPGGXMPVLQET-ZDUSSCGKSA-N 251.414 4.548 30 10 CJEE Cc1cc(NCc2cccc(C#N)c2F)cc(C)c1Cl 690304610 NOEHXGMBDPTOIU-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCCCCC[C@H](NCC)c1scc2c1OCCO2 691525185 HUFPKTINUQRDTJ-ZDUSSCGKSA-N 297.464 4.530 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@@H]2C[C@@H]21 691686257 WSBGZVIIPZOCPQ-NCOADZHNSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)nc(CCC)n1 692244500 XEORJAAXJVPIAC-OLZOCXBDSA-N 293.842 4.629 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)CCOC1(C)C 693231420 KLCZGBWZMBWQCQ-SFHVURJKSA-N 281.484 4.674 30 10 CJEE CC(F)(F)C(C)(C)C[C@]1(C#N)CCCc2ccccc21 697029104 FOFQZOKQHQHDNL-KRWDZBQOSA-N 277.358 4.856 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(C(F)F)CC1 700074570 NAYWCSTXTNUEHE-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE CC(C)CC1(Nc2ccc(C(F)(F)F)cc2C#N)CC1 701495509 UIBGYMLPHQCQEH-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCC[C@](C)(N)C[C@H]1CCCO1 704878284 LWYIOMBAEUDGGE-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C(Cl)C[C@@H](NCC)C1CCC(C(C)(C)C)CC1 710577253 YMYLVSCLFOCHEI-YMAMQOFZSA-N 271.876 4.960 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2CCCC[C@H]21 712528398 UBBZVXZDVNMECC-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553936 QDZVIYDKDNLHFZ-GFCCVEGCSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCC[C@@H](CCC(C)(F)F)NN 713922976 GJDCWMMJGRZYFQ-AWEZNQCLSA-N 278.431 4.785 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(F)c(C)c1 715716563 AMBYGEFCWSFECY-PXAZEXFGSA-N 263.400 4.695 30 10 CJEE C=CC[C@H](C)[C@H](CSc1ccc(C)cc1)NCCC 715723576 YSTODHOLNFVFIS-RDJZCZTQSA-N 277.477 4.668 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C(C1CCC1)C1CCC1 715724563 VKBWUJITONVYFR-KDOFPFPSSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)C[C@@H](CNC(C)(C)C)c1ccccc1 715794967 LURRKLNBVDXQGX-RDJZCZTQSA-N 259.437 4.761 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@H]1CCC[C@H](C(F)(F)F)C1 715813186 JTVBVVRMKBFFTF-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC(C)(C)C)C1 718804241 UQGXWZFFFZTBJI-MGPQQGTHSA-N 253.455 4.874 30 10 CJEE C=C1CCC(C[C@@H](O)CSc2ccc(C)cc2)CC1 724552561 NLNPSOHHXPVSKI-MRXNPFEDSA-N 276.445 4.585 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cc(C)oc2C)CC1 724605708 OLPFBCWYVNPTLA-KRWDZBQOSA-N 261.409 4.684 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[C@H](C)CC)C1 1165743875 KFIHUVMAYODYND-ZHALLVOQSA-N 299.458 4.631 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(C)c(Cl)n2)CCCC1(C)C 1169844162 LGVOMFXTSAYUTR-HNNXBMFYSA-N 292.854 4.610 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCCOCC1 1170841645 SWEZCXXVTMVEIW-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=CCC1(NCC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1 1196149779 HFKUYURBUCEYHZ-FVQHAEBGSA-N 263.469 4.927 30 10 CJEE C=C(CC)CNC(=O)Nc1cc(Cl)ccc1SCC 1200233599 UIAONDQCOGSKCY-UHFFFAOYSA-N 298.839 4.540 30 10 CJEE CCCCCCCN(C)Cc1c(F)cccc1Cl 1203405635 PQYLYUHJOVADTR-UHFFFAOYSA-N 271.807 4.881 30 10 CJEE C=CC(C)(C)CC(=O)NCC1CC(C)(C)CC(C)(C)C1 1278661580 OGGYMAXNRRLKPW-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=CCN(CCC[C@H](C)CCC)Cc1cccc(C#N)c1 1307440612 QDYNXFOVBIYXJI-QGZVFWFLSA-N 284.447 4.763 30 10 CJEE C=CCC1(C(=O)N(CC)CC(CC)CC)CCCCC1 1350431131 KAEUIFMSAFFFLG-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=CCN(C(=O)CC1CCC(C)(C)CC1)c1ccccc1 1352783640 SQHGTKVRJKQGFC-UHFFFAOYSA-N 285.431 4.812 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)CC1 1354585413 PGUQXZVALUYYGS-LJQANCHMSA-N 299.458 4.521 30 10 CJEE C=CCCCCC[C@H](C)NCC1C(C)(C)C1(C)C 1462135020 FQUDJGKGNJGIAQ-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C 1462416656 RYMMFAXMARZZOV-TXPKVOOTSA-N 271.448 4.829 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@@](C)(CC)C1)c1ccccc1 1465405341 BHUYSZLERSKZSQ-AZUAARDMSA-N 299.458 4.775 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)CC(C)(C)C2)c1 1467477044 ABJQWLWLTCSLPL-CQSZACIVSA-N 286.419 4.620 30 10 CJEE C=C1CC(C)(C(=O)N(C)C[C@@H](CC)CCCCCC)C1 1470464458 XGGCWLOXUBPJJD-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cnn(CCCC)c2C(C)C)C1 1474489528 YGHJKUWFRQSZLV-JKSUJKDBSA-N 289.467 4.963 30 10 CJEE C=CCC[C@@H](C(=O)N(C)C[C@@H]1CC=CCC1)c1ccccc1 1520334178 RCLPCSGNJODCCA-IEBWSBKVSA-N 297.442 4.551 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(C2CC2)c1 1523896318 RPIZHMMNFTXSHW-UHFFFAOYSA-N 291.394 4.935 30 10 CJEE C=CCCCC(=O)Nc1ccc(C(C)(C)CC)cc1 1525136139 AZFMZDHTFWYDLI-UHFFFAOYSA-N 259.393 4.669 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1CC 1528291273 RRRSPVRXBQMBNV-IPMKNSEASA-N 299.458 4.506 30 10 CJEE C[C@@]1(c2ccccc2-c2ccc(C(F)(F)F)cc2)CO1 1536114352 IUKPLBQXDBBETO-HNNXBMFYSA-N 278.273 4.618 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1CCC 1539034960 KVGHEANOIZQZSD-MOPGFXCFSA-N 299.458 4.808 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1583683069 HJPVEERFNUEIJF-UHFFFAOYSA-N 289.394 4.830 30 10 CJEE C=CCCN(C)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1585146172 JCNVARMRVZRWQY-UHFFFAOYSA-N 299.458 4.684 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(OC)c(Cl)c(OC)c2)C1 1621385381 STTGCEMFFKJLEZ-NEPJUHHUSA-N 295.810 4.514 30 10 CJEE C=CCC[C@@H]1CCCN1c1nc2cccc(C)c2s1 1640493477 LGVNZUQNQWFRQT-CYBMUJFWSA-N 272.417 4.540 30 10 CJEE C=CCCCCCCNCc1ccc(F)c2cccnc12 1651060571 CKLPUUHMKRJTHB-UHFFFAOYSA-N 286.394 4.600 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)Cc1ccccc1C(F)(F)F 1652008986 VOLJDCJRHZLLPR-CHWSQXEVSA-N 285.353 4.581 30 10 CJEE C=CCN(C/C=C/c1cccc(F)c1)CCc1ccccc1 1657505416 QDMSKNYBTANVJT-YRNVUSSQSA-N 295.401 4.570 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(C2CC2)c(C2CC2)c1 1657943884 SZEJOIJQLSCRTH-SFHVURJKSA-N 281.443 4.982 30 10 CJEE C=CCCCCCN(C)Cc1ccc(C(F)(F)F)s1 1663888777 JPXHWXOATRYYGZ-UHFFFAOYSA-N 291.382 4.945 30 10 CJEE C=C1CCC(CNC(=O)NCCCCCCC(C)C)CC1 1674256199 KAPPDMWVAOEWHX-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C#Cc1ccc(NC(=O)Nc2cc(C)ccc2C)c(Cl)c1 1674764223 PPASLLPETOTKTM-UHFFFAOYSA-N 298.773 4.582 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 1679434618 KUQYMPIIYVRYFA-ARFHVFGLSA-N 294.483 4.635 30 10 CJEE C/C(=N\OCc1cccc(Cl)c1)c1ccc(C)c(C)c1 1857936110 UDCVBYORJPZSRT-XMHGGMMESA-N 287.790 4.898 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]1C1CCC1 1876591393 UUMUWDHNLLZMPV-HUUCEWRRSA-N 273.445 4.955 30 10 CJEE FC1C[C@@H]2CC[C@H](C1)N2CCCCCCCCCS 1876902459 FYZYOFSKKZICJN-MQVJKMGUSA-N 287.488 4.612 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2CC3(C2)CC32CC2)C1 1877103197 UOSPBCVLYQJVLF-JBCIKUTRSA-N 260.421 4.742 30 10 CJEE N#C[C@]1(CC2CC3(C2)CC32CC2)CCCCC12CC2 1877109212 NJLRPHOHYVEBAP-ZCDVPAHGSA-N 255.405 4.821 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CCOC[C@@H]1C2 1880239470 HJNPACZQILWRIZ-RDJZCZTQSA-N 266.425 4.513 30 10 CJEE C=C1CCC(CN(Cc2ccccc2)C2CCC2)CC1 1883420712 CXRPWOXDPWVQJR-UHFFFAOYSA-N 269.432 4.788 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1C[C@@H]1C(F)F 1883857608 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271.489 4.656 30 10 CJEE O=C[C@]1(CC[C@@H]2CCCC2(F)F)CCCC12CCC2 1921622857 ZFCYRKVKXBAFQU-DZGCQCFKSA-N 270.363 4.742 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@]12CCCC[C@@H]1CCC2 1922077452 NUOSZHUMIHDLGY-QUCCMNQESA-N 298.426 4.689 30 10 CJEE C=C([C@H](NCC)c1ccc(C)c(Cl)c1)[Si](C)(C)C 1922851101 NRQIJKVVAUHLIC-HNNXBMFYSA-N 281.903 4.733 30 10 CJEE C=C(C(=O)c1cc2ccc(F)cc2s1)[Si](C)(C)C 1922880809 ALFKKUOWPILWSU-UHFFFAOYSA-N 278.424 4.657 30 10 CJEE CCc1cccc(N=C2N[C@H](CC3CCCC3)CS2)c1 1926660780 VTGWLCPSMZOGPZ-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE CCCCCC[C@H](C)OC[C@H](CS)C1CCC1 1942148630 UZYYUUVFAHMYAO-DZGCQCFKSA-N 258.471 4.708 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCOCc1ccccc1)NCCC 1955497144 LJTFEMHLZIJTLF-IEBWSBKVSA-N 289.463 4.564 30 10 CJEE C=C(Cl)C[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 1959952146 FTGVQIXCKFMKPY-MRVPVSSYSA-N 285.001 4.789 30 10 CJEE C=CCCCC[C@H](N)c1ccc(Cl)cc1Cl 1984513629 WCLJAMUXIKPRSR-ZDUSSCGKSA-N 258.192 4.740 30 10 CJEE C=C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 1996424027 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283.440 4.659 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)C(CC)(CC)CC 2291471794 BJUQLBQYNYBSAQ-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)C(C)(C)C)OCC(=O)O 2291781792 VNFVWJZKYMYVGH-CABCVRRESA-N 286.456 4.889 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@]1(C)CC1(C)C 2292765265 CYEZOTBHKQFRKY-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1sc(C)cc1C 2293590874 XNBHEEZXPLSETD-KRWDZBQOSA-N 297.508 4.916 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCC[C@H](CC)CC1 2293692699 YWBVYZGAXTYFKT-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1cccc(Cl)c1 2294014313 CHXTUNBVWUNOJZ-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE CCCCCCCC[C@@H](CC1(C)CC(C)C1)OCCN 2294162055 ZOWASADXIFPCSX-ADKAHSJRSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)C(CC)(CC)C(=O)O 2295582525 DTDDHPUVRJBDNR-INIZCTEOSA-N 286.456 4.769 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC[C@@H]1CCOC1 2295676808 OPSVHDQRNWMNTM-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC(C)(C)C[C@](N)(C#N)C1 2295712367 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CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(CC)C2CCCCC2)C1 35250515 MKZBDMSEVSZSIB-XYJFISCASA-N 276.468 4.750 30 10 CJEE C=CCOc1ccccc1CNc1ccc(C)cc1Cl 37245046 ICHZVKXLYNGSGE-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE Cc1ccccc1Sc1c(C#N)cnc2ccccc12 37665730 DJERJGDPIFCULO-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1Cl 54822978 GHRPXNNAVQHRQH-GWCFXTLKSA-N 283.202 4.878 30 10 CJEE C[C@](C#N)(CCCOc1ccccc1Cl)c1ccccc1 57687517 LSWPPJQIPOEHLW-GOSISDBHSA-N 299.801 4.980 30 10 CJEE N#C[C@@H](Cc1ccccc1F)c1cccc2ccccc12 57740916 WJTPQYJXVFCDHR-MRXNPFEDSA-N 275.326 4.829 30 10 CJEE CCCc1c(C#N)oc2c(Cl)cc(Br)cc12 71126138 XBRNOJSZLZWJMJ-UHFFFAOYSA-N 298.567 4.673 30 10 CJEE C=CCCOc1c([C@H](C)NC2CC2)ccc2ccccc12 71274426 DWHUTARAXNFAEO-AWEZNQCLSA-N 281.399 4.608 30 10 CJEE CC(C)(C)c1ccc2c(c1)C[C@](C#N)(c1ccccc1)C2 75933642 ZWZRCSQHWWDUGI-HXUWFJFHSA-N 275.395 4.544 30 10 CJEE CCCc1cccc2c(C(=O)CC#N)cn(C3CCCC3)c12 84864332 XQTBRBZOXKUOFQ-UHFFFAOYSA-N 294.398 4.805 30 10 CJEE SCC1(CO[C@H]2CCCc3ccccc32)CCCCC1 94583805 BBGFWJTWTDVVBT-KRWDZBQOSA-N 290.472 4.961 30 10 CJEE CCCC(CS)(CCC)COCc1cccs1 94585731 FFDJGNNYQRJSIT-UHFFFAOYSA-N 272.479 4.781 30 10 CJEE N#Cc1c(Cl)cccc1Sc1cc2ccccc2[nH]1 94629288 ZUGSSUFBPXJXKG-UHFFFAOYSA-N 284.771 4.844 30 10 CJEE C=C(CC)C[C@@H](Cc1ccccc1Cl)NCCC 97208583 LLGWVRQYBIJCHD-HNNXBMFYSA-N 265.828 4.607 30 10 CJEE C=C(C)C[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 97283363 WTYSMZCAHSPPSL-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CCC1(CC)CC(C#N)(Sc2ccc(F)cc2)C1 97329210 MIPFKXQTAQRVEG-UHFFFAOYSA-N 263.381 4.780 30 10 CJEE SCCCCCCCCCN1CC[C@H]2CCCC[C@H]21 97799550 BIPVRXLCQIMMKA-IAGOWNOFSA-N 283.525 4.911 30 10 CJEE CCCCCCCCC(=O)Nc1cccc(F)c1 110014806 IZZYZKZMAQSMCD-UHFFFAOYSA-N 251.345 4.515 30 10 CJEE CCCCCCCO[C@H]1C[C@H](CC)CC[C@@H]1NCCC 110081263 IJBVUQBIXOTSGB-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCN[C@@H](C)CCc1ccco1 110166948 BAJPDDUJKIGHMV-INIZCTEOSA-N 265.441 4.941 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(C(F)(F)F)cc2C#N)C1 110255270 SQSNIRIGMAYIDB-FZMZJTMJSA-N 296.336 4.592 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@@H](C)NCC 111711427 NDZKIUWZEIKUBJ-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCN1CC2(CCCC2)NC[C@]1(C)CC 114349387 LIJAMPRGNWHXGY-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1CC 115213395 BASJPXWBKFJIAX-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)c1ccccn1 118067286 VWQRNLROCYAYHD-IRXDYDNUSA-N 276.468 4.914 30 10 CJEE CCCCCCCCC[C@H](CCc1ccccc1C)NN 122197749 FTUDFHCGNNVQDM-LJQANCHMSA-N 290.495 4.900 30 10 CJEE C=C(C)CC[C@@H](NCC)c1csc2ccccc12 125789105 JTJLFQCVFGMYNW-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1CCN 128495121 YYAMXVZNIOAKPE-UHFFFAOYSA-N 283.843 4.581 30 10 CJEE CC(C)(C#N)CCCn1ccc2cc(Cl)ccc21 129653794 ACGMZLWWFGONOW-UHFFFAOYSA-N 260.768 4.625 30 10 CJEE N#CCc1ccc(N[C@H]2CC[C@H](c3ccccc3)C2)cc1 130616079 HBGVJDGHAUQXFV-HKUYNNGSSA-N 276.383 4.501 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)O)cc1F 132112928 LCADFHXHBBEWST-ZDUSSCGKSA-N 268.372 4.618 30 10 CJEE Cc1cc(Oc2cccc(Cl)c2Cl)ccc1C#N 133500010 TWIBLLJDCFBBQG-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCC(CC)(CC)Nc1cccc(SC)c1C#N 136673126 ANJRPASEBSQJNU-UHFFFAOYSA-N 262.422 4.661 30 10 CJEE CCCCSc1cccc(SCC)c1C#N 136992803 CNRLOXLKVDAOSN-UHFFFAOYSA-N 251.420 4.562 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](C#N)CCC#N 153532343 RKHRHVYIPDLORM-ZDUSSCGKSA-N 290.794 4.594 30 10 CJEE CCCCCCCCC1(CNC2CC2)C[C@H]2C[C@@H]2C1 157503905 CJKXPBNDIBOIBN-HZPDHXFCSA-N 263.469 4.905 30 10 CJEE CCCCCCCCCCNCc1cccc(F)c1O 165046964 KFURLYXKABXOBA-UHFFFAOYSA-N 281.415 4.762 30 10 CJEE CC(C)=CC(=O)c1ccc2cc(Br)ccc2c1 167818848 BOBITFNODAUSGH-UHFFFAOYSA-N 289.172 4.751 30 10 CJEE N#CCCCCCNc1cccc(-c2ccccc2)c1 199202673 ZLNLRBWUCAUOCP-UHFFFAOYSA-N 264.372 4.849 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(Cl)c1C 220595269 NAAGAFNMXHZFRM-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE C=C(CC)C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 229758302 OXTYBRPEBHMVEY-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCCCCOc1ccnc2cc(N)ccc12 230759870 AMEABWDBBHSQMT-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE C=CCCCCC[C@H](NN)c1ccc(C(C)(C)C)cc1 232563889 AJSXLKXWHBMZHZ-KRWDZBQOSA-N 274.452 4.625 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C)cc1Cl 233582804 MZNMUQZEBFOYER-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@@H](C#N)Nc2ccc(Cl)cc2)C1 235396136 BZEXUVIAIMEYCZ-NORZTCDRSA-N 274.795 4.636 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2cc(C#N)ccc2Cl)C1 235399895 UXNFDGUIRWIIFK-SMDDNHRTSA-N 274.795 4.616 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)c1ccc(Cl)s1 235506731 LZPOUKKJKJAOCX-NSHDSACASA-N 284.856 4.772 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccccc2Cl)c1C#N 235538392 WGWBTAVOVOETRP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(OC(F)(F)F)c2)CC1 235618261 ILONYWAYXCOQAL-SNVBAGLBSA-N 284.277 4.514 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 249802929 NQAGRZZKOKLPGS-OKZBNKHCSA-N 278.484 4.996 30 10 CJEE CCCCCCCCCN1C[C@@H](C2CC2)NC[C@H]1CCC 250824615 MUEUFSMGWNHWOK-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OC)s1 310130437 HLGLJAKAZOLYCZ-LBPRGKRZSA-N 255.427 4.507 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C/C=C\c2ccccc2)C1 317254554 DUSWVURGOYSQSI-AQOIUKNXSA-N 256.389 4.875 30 10 CJEE C=CCC1(CNCC(C)C)CCC(CCC)CC1 318379180 OQOITLXTPYAXCN-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCC[C@@H](C)C1 318602380 HKJLJWOMUJUNCX-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCCCCCC2)C1 321928485 KKEGAZSNXYJPRN-FGTMMUONSA-N 276.468 4.751 30 10 CJEE C[C@@](C#N)(Nc1ccccc1Cl)[C@H]1CC2CCC1CC2 381817941 DYKFFZQHHXJNHI-QKRUXVEJSA-N 288.822 4.860 30 10 CJEE C=CCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 381890278 DGLGFTHAOXHRIA-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C=C(C)CC[C@H](N)c1ccccc1OCc1ccccc1 381912036 ASVSLFZKFMQBGA-SFHVURJKSA-N 281.399 4.622 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(F)ccc1C 383458387 MTSKPJPBRFKCJI-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)c(C)c1 387421475 GESZSLYELVVQCB-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@@H](CC(C)(C)C)CS1 393534378 YKNYVLXTBKJRJZ-ZDUSSCGKSA-N 284.513 4.556 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccccc1C(F)(F)F 393750510 QYJISGBSCRVQDF-RYUDHWBXSA-N 271.326 4.711 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCCN[C@@H]1C 396718226 SBXRKTXIIVUQPG-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE N#C[C@H](CNc1cc(Cl)ccc1F)C1CCCCC1 397148827 MOZMRZSCCHYQBW-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE N#C[C@@H](CSc1ccc2c(c1)CCC2)C1CCCC1 397385392 WCFYHHYKIOMOEE-INIZCTEOSA-N 271.429 4.597 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 399154357 ILZKIMASXHOASS-GXSJLCMTSA-N 298.213 4.852 30 10 CJEE C=CCC(C)(C)COC[C@H](NCCC)C1CCCCC1 403877342 WXAURKFGCHHPHG-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1ccc(Cl)cc1C 461251296 ULVSGQYYTSLZIS-GFCCVEGCSA-N 297.851 4.675 30 10 CJEE C[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512625547 OVPAVBUMTGSEJD-GJZGRUSLSA-N 296.389 4.542 30 10 CJEE CCCCCCCCC[S@](=O)Cc1ccc(F)cc1 526851328 FAMLZWCPUFKKOQ-IBGZPJMESA-N 284.440 4.825 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(C)ccc1C(F)(F)F 622953370 FYPMDIYEEMTMIT-NSHDSACASA-N 285.309 4.555 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 680996821 UFFKXZCATDBQMS-HOCLYGCPSA-N 291.435 4.880 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@@H]1C 686466004 CJRVEEJYLWYSRJ-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 686677297 FJIURCMKDIFAGW-AWEZNQCLSA-N 299.245 4.623 30 10 CJEE C#CCCCCCNc1ccccc1-c1ccccc1 686681898 FXUYHUPQKYFQOR-UHFFFAOYSA-N 263.384 4.959 30 10 CJEE C#CCCCCC[C@@H]1CCCCC[C@H]1CNCCC 686691135 GJPUGZCIGXRSTK-MSOLQXFVSA-N 263.469 4.766 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1c(N)ccc(Cl)c1C 692237942 BEQMNLNHVJRFKM-DOMZBBRYSA-N 278.827 4.777 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CC2(OC)CCCCC2)C1 692826064 BYOAEQICSSJWDR-CVEARBPZSA-N 263.425 4.836 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CNc2ccc(C#N)cc2Cl)C1 695265143 MVDOSHJTADLRMK-IMRBUKKESA-N 276.811 4.696 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]12COC[C@H]1C2 701903920 IJUFYBFUZDJGMT-AEFFLSMTSA-N 280.452 4.903 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1cccc(Br)c1 704908607 CGQKGHUPUIGHDL-KCPJHIHWSA-N 292.220 4.883 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C)c(Cl)c1 709350725 HEHSMGKAKFOIRN-NVXWUHKLSA-N 277.839 4.873 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1C[C@H]1OC 709685268 GZFOHGFZAOKWRD-YESZJQIVSA-N 269.473 4.660 30 10 CJEE N#Cc1ccc(Cl)cc1NCC1CCC2(CC1)CC2 709955821 QJMWGSNZQSAJME-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(C)c1Cl 710635446 LMUXAIVOAHQZLT-CYBMUJFWSA-N 272.219 4.832 30 10 CJEE C=C(Cl)C[C@H](NCC)c1oc2ccc(F)cc2c1C 710697983 RNOGAKHFRSTNGN-ZDUSSCGKSA-N 281.758 4.674 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)[C@@H]1CCCCO1 711858320 MFSAOXNAYDMOJE-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE N#C[C@@]1(CC[C@@H]2C[C@H]2C2CC2)CCCc2ccccc21 714925998 QPXDSPWDVGFAOV-AOIWGVFYSA-N 265.400 4.611 30 10 CJEE C=CC[C@@H](C)c1c(C)ccc(Br)c1F 715830119 MTHDTWUKOCNXPC-MRVPVSSYSA-N 257.146 4.576 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(C)cc2F)CC1 724558934 LPEUKZWQCKLWSR-GOSISDBHSA-N 275.411 4.921 30 10 CJEE CSc1c(C(F)(F)F)sc2cccc(CC#N)c12 725316347 RMAZVRJTDFIDLD-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE O=C(/C=C\c1ncc(-c2ccccc2)s1)c1ccccc1 770569569 PFADYTACBKMUTD-QXMHVHEDSA-N 291.375 4.706 30 10 CJEE C=CCCc1ccccc1NC(=O)/C(C)=C\C(C)(C)C 800157256 DMJOHYYQUSDGJK-YPKPFQOOSA-N 271.404 4.736 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](C1CCCCC1)C1CCC1 1130305753 BERYLYOMVAPOBL-SFHVURJKSA-N 289.463 4.620 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1scc(C)c1Cl 1130905074 VAIZYDFKAUVUTE-RYUDHWBXSA-N 297.851 4.575 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 1157430162 WDBCXGASYPNOEN-RTBURBONSA-N 299.458 4.821 30 10 CJEE C=CCCCN[C@H](Cc1cccc(Cl)c1)CC(C)C 1181409353 BIUHYWDWMGYNNK-KRWDZBQOSA-N 279.855 4.853 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)Cc1ccc(Cl)cc1 1183673878 UDNMKZDLOKXWNL-CQSZACIVSA-N 279.855 4.853 30 10 CJEE C=CCCCCCN1CC[C@@H](c2ccccc2C)C1 1190692495 YLOJTOKHTVRVFR-QGZVFWFLSA-N 257.421 4.531 30 10 CJEE C=CCCC(C)(C)NC/C=C/c1cc(C)c(C)cc1C 1203227717 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N#CC1(Nc2ccc(Cl)cc2)CCC(C2CC2)CC1 2225980021 WRCGXGKPRAWTGI-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE C=CCCCCCCC[C@H](NC)C1CC(=C2CC2)C1 2227266947 AXVSWCCQPZCCHF-SFHVURJKSA-N 261.453 4.992 30 10 CJEE C=CCCCCCCCNCC12CCC(F)(CC1)C2 2227275278 XCOLUJZLLLLIFU-UHFFFAOYSA-N 267.432 4.775 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2227276345 QXPZRFQJRTXEPG-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H](C(C)(C)C)C2)CC1 2229849689 LAXPAJUFSLLKDV-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCO[C@H](C)CCCNCCC 2230991634 XQDKWYLUZUYHDF-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCOCC[C@@H]1CCC[C@H](C)N1 2231013867 IZYWLQNKWNTNFM-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C[C@@H](CCCCC)Oc1cccc(C(=O)CC)c1 2231029987 FMRIXVZRLKGHRQ-HNNXBMFYSA-N 260.377 4.793 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233633774 FVPGJWLSGOXQGS-XMTFNYHQSA-N 275.480 4.621 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1C[C@H]2CCCCCC[C@H]21 2233793411 XYHQSEGQFPJOLU-BRSBDYLESA-N 275.480 4.621 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](C#CP(C)(C)=O)NC)CC1 2233798297 JUPKJUIAVKXWCR-ULQDDVLXSA-N 297.423 4.545 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNC[C@H](F)C1 2234663279 JFKPTTMHOBWNFG-SJORKVTESA-N 287.463 4.624 30 10 CJEE C=CCCCCCCC[C@H](NC)c1c(C)ccnc1C 2235517906 BICJSPJWOBHMDI-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCN[C@@H]1CCOC12CCCCC2 2235518932 LGWZHQCDPQRBJC-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ncc(Cl)n1C 2235521105 GDXWHBYDCOMNDM-AWEZNQCLSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCC[C@H](NC)c1csc2cncn12 2235524250 OHCOKNYGQSNHRS-AWEZNQCLSA-N 291.464 4.573 30 10 CJEE CCC1CCC([C@](C)(N)C#Cc2cccc(Cl)c2)CC1 2239463326 ODEMWPUCCCVTPZ-JFUPDXTOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCOCC1(CNCCC)CCC1 2239468371 OIWOSHYOOUEKTH-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE N[C@]1(C#Cc2cccc(Cl)c2)CCCCC12CCCC2 2239563869 PSILCPFGHNEIIK-SFHVURJKSA-N 287.834 4.523 30 10 CJEE CCCC[C@@H](C)CC[C@@H](N)C#Cc1ccc(CC)cc1 2239724136 DSZHAZCSFPCPBL-VQIMIIECSA-N 271.448 4.534 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@H](C)O[C@H]1C 2240191687 UTPZMJXMOCZCMK-VSZNYVQBSA-N 283.500 4.919 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc(C2CCC2)cc1 2240372817 IJJOCPWWEIQUTG-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCCCC[C@](C)(N)c1nnc(C2CCC2)s1 2240617169 BCVAEQPWUVRTRP-INIZCTEOSA-N 295.496 4.730 30 10 CJEE C/C=C/CCC[C@@H](NC)[C@@](C)(O)CCCCCCCC 2240637172 FWMXMVSTOIUEAF-VZUWTINFSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@H]1CC[C@@H]1C)NC 2240652953 AMEMTOOGIRKZKY-MHORFTMASA-N 283.500 4.512 30 10 CJEE CC(C)[C@@H](C)N(CC#CC1CCCC1)Cc1ccccc1 2242232657 IVTDWLNFILFXOQ-GOSISDBHSA-N 283.459 4.727 30 10 CJEE CCC(F)(F)CCSCc1ccc(C)c(C#N)c1 2256437759 UJDCSMIRUUSGKU-UHFFFAOYSA-N 269.360 4.535 30 10 CJEE CO[C@@H](CSCC[C@H](C)CCS)C1CCCCC1 2256661562 RTMVVOQFGOYZPP-HIFRSBDPSA-N 290.538 4.661 30 10 CJEE C=CCCCCCCCSCc1cccc(F)n1 2259056464 DDCCQUDALMEFOO-UHFFFAOYSA-N 267.413 4.981 30 10 CJEE C=CCCCCC[C@@H](CCC1CC(C)C1)NCC 2261489592 OFZAWYNCNOORCE-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CC)OCCN 2262522208 DSQWCQFKDHZJIS-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)N(CCCCCCCS)C1 2263208879 WZLQSAKVOUUFFL-HZPDHXFCSA-N 271.514 4.623 30 10 CJEE CC1(C)CCO[C@H](C[C@]2(C#N)CCCC(C)(C)C2)C1 2265620102 OCFISNCDSQCSKR-WMLDXEAASA-N 263.425 4.692 30 10 CJEE CCCN[C@H](CCCC=CC#CC(C)(C)C)C(C)C 2268738209 YWYCCNPDLLXDDS-QGZVFWFLSA-N 263.469 4.787 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CCC1CC1 2268749443 ABFZWECLDBNLPR-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=CC1(CNCCCCC[C@H]2C[C@@H]2C)CCCCC1 2269475892 WHMYTPMRKXTZBF-IRXDYDNUSA-N 263.469 4.929 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@@]1(C#N)CCOCC1(C)C 2269480644 KCDPGRMONVTZGS-INMHGKMJSA-N 263.425 4.549 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1CC(C(F)F)C1 2271785134 JZONGSSBZLIDFZ-NRXISQOPSA-N 273.411 4.782 30 10 CJEE CC1(C)CC(Sc2ccc(C(F)(F)F)c(C#N)c2)C1 2273293410 MSPOPLUZRZBSRG-UHFFFAOYSA-N 285.334 4.858 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1sc(C)c(C)c1C 2273974609 AWXSRANUHOCSBD-MRXNPFEDSA-N 275.461 4.518 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1ccc(Cl)o1 2274130157 CWZBMOHVUYKWBB-AWEZNQCLSA-N 279.811 4.557 30 10 CJEE C=C(C(C)(C)C)[C@@](CC)(CCCCC)OCCCN 2276553887 XOJQEQPCSYWPSK-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1CC(C)(C)C1 2276559768 AWAWWXIUNFAEHQ-MRXNPFEDSA-N 269.473 4.517 30 10 CJEE C=C(CC)C[C@](C)(CCCCCCCC)OCCN 2277086132 XWXDCTSYGDURNA-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@@H]1CCC1(C)C 2277137049 GUJHOMJYINQQFB-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE C/C=C/CCC[C@@H](CCCCCCCC)OCCN 2277399300 BQFGKQPWKFFFEA-YXMMZVCTSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)CC(C)(C)O 2278244714 TVJSONSTHDCUSB-CVEARBPZSA-N 271.489 4.655 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCC(C)C 2278245859 XJEZFEFKDGREGU-SJORKVTESA-N 271.489 4.642 30 10 CJEE CC1(C[C@@]2(C=O)CCCC23CCC3)CC(C(F)(F)F)C1 2279324540 BTNRCVPBDCCMOV-SSDMNJCBSA-N 288.353 4.895 30 10 CJEE CN[C@@H](c1ccccc1)[C@H](C)CC=CC#CC(C)(C)C 2284085914 KMCJREWUDBQAHL-SJLPKXTDSA-N 269.432 4.579 30 10 CJEE CCCN[C@H](CCC=CC#CC(C)(C)C)C1CCCC1 2284111118 HUDGWUBZKSSGAA-GOSISDBHSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CCNc1cccc2ccccc12 2284183312 PKTMMMNPYINHLY-UHFFFAOYSA-N 263.384 4.857 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1scc(C)c1C 2287389179 BAZDFEXUSGCKFC-HZPDHXFCSA-N 295.492 4.513 30 10 CJEE CC(C)(C)c1cccc([C@@H](N)C#CC2CCCCC2)c1 2289684204 LYLULDUMDOJVAK-SFHVURJKSA-N 269.432 4.568 30 10 CJEE CCCCCCCCC(=O)c1ccc(COC)cc1F 2290002342 QUQMXGRCEKEIDS-UHFFFAOYSA-N 280.383 4.905 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H](C)C(C)(C)C 2290603357 HCLFTHDCFVTBRI-CABCVRRESA-N 286.456 4.889 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H](C)C1CCC1 2290876283 CZQFJVCVBMJPFE-HOCLYGCPSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC12CCCC2 2290891987 ZVUYWIBQXYKRFE-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCCC[C@H](C[C@]1(C)C[C@@H]1C)OCC(=O)O 2291493150 FVVFKMRIYVJDLW-UXLLHSPISA-N 284.440 4.643 30 10 CJEE C=CCCCCC(CC(C)C)(CC(C)C)OCC(=O)O 2292419833 PUHIPPOXDLVKPY-UHFFFAOYSA-N 284.440 4.665 30 10 CJEE C=CCCCCCCC[C@](CC)(OCCCN)C1CC1 2292650533 SBLCDMWYLQOGLE-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)OCCCN 2292854960 YJDZPTRPKNMPAH-BSDSXHPESA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)C1[C@H]2CCCC[C@H]12 2293006756 IUQLCULMYQWNJF-ULQDDVLXSA-N 281.484 4.517 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCN)[C@H]1CCCC(C)(C)C1 2293133233 MWVUZHFGLUFZJC-XYJFISCASA-N 281.484 4.539 30 10 CJEE C=C([C@@H](OCCCN)C(C)(C)C1CCCC1)C(C)(C)C 2293365874 SMNFTPNHGQZPSQ-MRXNPFEDSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1coc(C)c1 2293434780 WFZLJMCJJXNODQ-KRWDZBQOSA-N 281.440 4.745 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccc(CC)o1 2293700205 PENQVJNZLUPXAX-INIZCTEOSA-N 281.440 4.609 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CC(F)(F)CO1 2295691716 OWIVELNGTSYDLV-HUUCEWRRSA-N 291.426 4.529 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@H](C)[C@@](C#N)(NC)C1 2295709747 CYHACLBAQOOFLO-MWDXBVQZSA-N 296.524 4.606 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1cccc(Cl)c1Cl 2298817337 QWKMIAZYOWLZIF-BXKDBHETSA-N 290.259 4.691 30 10 CJEE CC1CCC(CSC[C@H](CS)CC2CC2)CC1 2298952732 KJGKHCRVDIZPFZ-ZALBZXLWSA-N 272.523 4.892 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCC1 2311512582 CIOGOTYCPLLLLC-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1ccc(C(C)C)cc1 2313527990 YTLFHUQZSUZPRK-CJNGLKHVSA-N 263.450 4.508 30 10 CJEE C=C(C[C@@H](NCC)c1ccc(Cl)c(Cl)c1C)OC 2316945036 MMFGDPWUDPDELK-CYBMUJFWSA-N 288.218 4.503 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(C)sc(C)c1C 2321132163 XBBYBQVFFKNIJG-HOTGVXAUSA-N 265.466 4.926 30 10 CJEE CN(CCCCCCCS)C(CC1CC1)CC1CC1 2337065543 JCQCXNKTOWVAQH-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2ccc(Cl)cc21 2337151145 MDUARHDLUNDTOX-GWCFXTLKSA-N 292.835 4.896 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@]1(C)CC=C(C)CC1 2338740912 JSJKLLQDHVWCQF-ZWKOTPCHSA-N 261.453 4.869 30 10 CJEE C=CCC(CC=C)N(C)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338913071 OIAXAELMEGWRLD-ULQDDVLXSA-N 261.453 4.655 30 10 CJEE CC1(C)C[C@H]1C#C[C@H](N)c1ccc(-c2cccs2)s1 2339558302 ZEDKFEWQLVVXKO-NEPJUHHUSA-N 287.453 4.526 30 10 CJEE CCC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341110938 QEWRNUAHIDTBAK-INIZCTEOSA-N 298.257 4.708 30 10 CJEE C=C(C)C[C@H](Cc1ccccc1C(C)C)NCCC 2341918784 YCCKMCSGUFVKQC-QGZVFWFLSA-N 259.437 4.687 30 10 CJEE C=C1CCC(CN(C)C[C@@H]2CC[C@@H]2C(C)(C)C)CC1 2343322695 WSHALCYNHFNJCE-IRXDYDNUSA-N 263.469 4.737 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@H]1CC[C@H]1C(C)(C)C 2343379292 OLOVZQQHFDFTHJ-WCXIOVBPSA-N 261.453 4.632 30 10 CJEE CCCCCCCCC[C@H](O)C1(C(C)(C)OC)CC1 2343574627 YZSGNTQCTXKDIH-HNNXBMFYSA-N 270.457 4.693 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cccc(C2CCC2)c1 2343778412 YIHJBDFEMSDEOG-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE C=CCCCCCCC=C1CCCN[C@@H]1C(F)(F)F 2344161195 CVBWKWDNOOKUQQ-AWEZNQCLSA-N 275.358 4.754 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC(C2CCC2)C1)NCC 2344335994 FKOZGLPPPZVGGF-BDVYOWHSSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(F)ccc1F 2344343018 MVONYFNAUSTWFL-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1cccc(Cl)c1)NCC 2344348704 MXNSKRXPYRKZST-DLBZAZTESA-N 279.855 4.853 30 10 CJEE CCCC[C@@H](CC)CNc1ccc(C#N)c(SC)c1 2353834786 OYRVCZHQVIJXDU-CYBMUJFWSA-N 276.449 4.908 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NCCC 2355020029 MLVAUIYOYBAXJB-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H](CC)O1 2358286062 FOLBXSWTCMXWGO-KSZLIROESA-N 281.484 4.839 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2359662196 QKJONLSLGQMBSA-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1C[C@H]1C1CCCCCC1 2360212405 GOCGICUUZNSSFA-DLBZAZTESA-N 276.420 4.657 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCCCCC2)C1 37146718 HWUQLYVHHKNDLN-RCCFBDPRSA-N 290.495 4.997 30 10 CJEE N#C[C@H](CCOc1ccc(F)cc1)c1ccccc1Cl 57685383 AIPMIYCTQRTOMV-LBPRGKRZSA-N 289.737 4.555 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1ccccc1Cl 57685386 HGNBKUPMMLJHPW-HNNXBMFYSA-N 299.801 4.979 30 10 CJEE CCCCCCCCO[C@H]1CCCc2ccccc2[C@H]1N 59083760 SGBAYDGRXRJYBU-RBUKOAKNSA-N 289.463 4.768 30 10 CJEE Oc1cc2ccccc2cc1/C=N/Nc1cccc(Cl)c1 59157604 KUGDMNBNBSISDE-YBFXNURJSA-N 296.757 4.645 30 10 CJEE CCCCCCCC(=O)c1cc2c(cc1Cl)OCCO2 59211601 FITYLCXFMAIYCN-UHFFFAOYSA-N 296.794 4.654 30 10 CJEE CCCCCCCN[C@@H](c1ccccc1)c1ccncc1 59373023 HCCHVKMSQLYOHW-IBGZPJMESA-N 282.431 4.731 30 10 CJEE C=CCCNc1c(Cl)cc(Cl)cc1Cl 70591523 NURKXSOSGFKNSY-UHFFFAOYSA-N 250.556 4.635 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccccc1C(C)(C)C 71174422 UAUYIGVMGDCNEX-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE CC(C)COc1ccc(C2(C#N)CC3(CCCC3)C2)cc1 86523236 FWNFMGOWVIHSDM-UHFFFAOYSA-N 283.415 4.837 30 10 CJEE C=C(CC)CNc1ccccc1Cc1ccccc1 97191734 PPCUBJLJPBZMBQ-UHFFFAOYSA-N 251.373 4.656 30 10 CJEE N#CC1(Sc2cccc(F)c2)CC2(CCCCC2)C1 97322656 SBYHAQCAUFFKIT-UHFFFAOYSA-N 275.392 4.924 30 10 CJEE CCCCCC(CCCCC)N[C@@H]1CCC[C@@H]1C#N 103983992 PHJSEFFMGPPZJI-NVXWUHKLSA-N 264.457 4.797 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)cc(C(C)C)c1OC 107631702 CUMUOSRTGJXVME-GFCCVEGCSA-N 264.796 4.989 30 10 CJEE CCOc1cc(OCC)c([C@@H](C)CCC#N)cc1Cl 107676005 KFRUZNSTOGEKOV-NSHDSACASA-N 281.783 4.545 30 10 CJEE CC(C)C[C@H](Nc1ccc(F)c(C#N)c1)c1ccccc1 109947666 GXGJPAYFIIHLNE-SFHVURJKSA-N 282.362 4.897 30 10 CJEE CCCCCCCCCCCCN(CCO)C(C)C 110048315 ZNJJMGSXTYGFAO-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE CCCCCCCO[C@H](CNC(C)C)c1ccccc1 110067995 YAPSUJRRNSTMCB-GOSISDBHSA-N 277.452 4.713 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1ccccc1C 110081347 MBMLQZUFISNQRG-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CN(Cc1cccc(Cl)c1)c1ccc(Cl)cc1C#N 110254808 WJDUEBSIURWEKN-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1ccc(C#N)c(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 110259640 HQEQPUPSALUZTL-QGPMSJSTSA-N 271.404 4.706 30 10 CJEE CCCCCCCCN(CCC)c1cccc(N)c1 110369168 KJUQRWMLZNBPTO-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCCCN1CC2(CCCC2)NC[C@@H]1CC 115242745 ULVACWDTLCNHLV-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)c1ccncc1 117683271 SPEZNVMSDXYIJY-WBVHZDCISA-N 262.441 4.653 30 10 CJEE CCCCCCCCCC[C@H](NCC)C(C)(C)OC 118396169 VBSZSGVLSHRGQL-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](O)c1ccnc(Cl)c1 156094098 BPGOJHJVRXLKBR-ZDUSSCGKSA-N 255.789 4.519 30 10 CJEE N#CC1([C@@H](O)CC2CCCCC2)CCCCCCC1 159015169 LUHBLMUYTZMACL-INIZCTEOSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCCNCC(C)(C)OCC 159366589 HDEUILSEDFFSCB-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@@H](NCC)C1=CCCCO1 160353234 TYNJBAUXLJCRAM-MRXNPFEDSA-N 267.457 4.800 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1sc2ccccc2c1C 162650346 NMVPIIGEYLAIAS-WCQYABFASA-N 259.418 4.825 30 10 CJEE N#C[C@@H](C(=O)c1sccc1Cl)c1ccc(Cl)cc1 162984668 JSSMSKKAPZHAAY-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE N#Cc1ccc(COCc2ccc(Cl)cc2)c(Cl)c1 162993577 QQWRDIRGACGUTR-UHFFFAOYSA-N 292.165 4.582 30 10 CJEE C[C@@H]1CC[C@](C#N)(Nc2ccccc2F)c2ccccc21 163866765 AUQSNRNJLBGWHP-FZKQIMNGSA-N 280.346 4.554 30 10 CJEE C=C(C)CC[C@@H](CSc1ccccc1F)NCCC 164636693 UCVXYCVDSSECCW-AWEZNQCLSA-N 281.440 4.642 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cnc2ccsc2c1 164710937 NZCLYDWQJLKSRV-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE CCCCCCC[C@@H](N)C1(OCC)CCC(C)CC1 166020539 UDZRSKSNNRIKHC-AQFXKWCLSA-N 269.473 4.660 30 10 CJEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1cccc(F)c1 166494589 ZPQJTJHQBBNJRX-INIZCTEOSA-N 286.325 4.708 30 10 CJEE C=CCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC 167802901 AFJSYPYHHVSVQG-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](NC)c1cnccc1C(F)(F)F 225498342 TXWDJMDJIUMYNV-CQSZACIVSA-N 288.357 4.721 30 10 CJEE CCc1cc(Oc2cccc(C#N)c2)ccc1Cl 227635019 VHNVNFWFVQXFTE-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079778 DYEDUUOOJRVYMZ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCCCCCOc1ccc(CN)c2ccccc12 232949772 GMFOKBFUDHVURW-UHFFFAOYSA-N 271.404 4.648 30 10 CJEE Cc1ccc([C@H](C#N)NC2CCCCCC2)cc1Cl 235876551 DSKFOVZSWVBCOM-INIZCTEOSA-N 276.811 4.526 30 10 CJEE Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N 236010969 CLBRXDQQFCHQBF-ARFHVFGLSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@H]1C(C)(C)C 250834029 STLLWBNZNRIMBL-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CO[C@H](C)C1 253025394 CYVFHPIUVKPDIC-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CC(C)c1cc(CC(C)(C)C#N)c(O)c(C(F)F)c1 260296652 PTOYEMOXJYVTJE-UHFFFAOYSA-N 267.319 4.545 30 10 CJEE C=C([C@@H](C[C@H](C)CC(C)(C)C)NCC)C(F)(F)F 311037374 RMGQXELZXOHLAL-CMPLNLGQSA-N 265.363 4.545 30 10 CJEE N#C[C@@]1(C2CCCCCC2)CCCc2ccccc21 311519675 DRHSIRNLAAMSRP-GOSISDBHSA-N 253.389 4.755 30 10 CJEE CCC[C@@H]1CC[C@H](CNCC)[C@@H](CC#CC(C)(C)C)C1 312205938 KOLWWNZYQIWMEP-FGTMMUONSA-N 277.496 4.868 30 10 CJEE C#C[C@@H](Nc1ccccc1C(C)(C)C)c1ccccc1 328366901 CRLBLCBYHQMDFU-QGZVFWFLSA-N 263.384 4.771 30 10 CJEE CCCCCCCCOCc1ccc([N+](=O)[O-])cc1F 383654540 LKXDGHYSCYZNCC-UHFFFAOYSA-N 283.343 4.611 30 10 CJEE C=CC(C)(C)CN[C@@H](c1ccco1)c1ccc(Cl)s1 384839036 HWNGCNHPVSRSKC-AWEZNQCLSA-N 295.835 4.886 30 10 CJEE O=C1CCCC=C1c1ccc(Cl)c2ccccc12 385319440 IVHIZEGPLPBFPI-UHFFFAOYSA-N 256.732 4.630 30 10 CJEE N#CC1(c2c(Cl)cccc2[N+](=O)[O-])CCCCCCC1 394222905 KYZOTOYVIYZTGH-UHFFFAOYSA-N 292.766 4.754 30 10 CJEE Cc1cc(Cl)cc([C@@H](O)C2(C#N)CCCCCCC2)c1 395067199 GFZLAOQXGMCTLD-MRXNPFEDSA-N 291.822 4.936 30 10 CJEE CCCCCCCC(=O)c1cc(F)c(F)c(F)c1F 395700372 HJOUGPBTJFWTAC-UHFFFAOYSA-N 276.273 4.786 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)CC(F)(F)F 397019260 QURGJFLPJHWRFH-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE N#C[C@H](CSCc1ccc(Cl)cc1)C1CCCC1 397326725 IQOQARVEUNWIOS-CQSZACIVSA-N 279.836 4.903 30 10 CJEE Cc1ccc(CCC2(C#N)CCC(C(C)C)CC2)nc1 399721509 FHZJSMNAWZLKQZ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)CCC(C)(C)CC 686206146 RQGCNFRLRCVCBC-SFHVURJKSA-N 284.532 4.822 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H](CC)CC(F)F 688744421 ASJGNJCALJLWSH-QWHCGFSZSA-N 261.400 4.638 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)CC2CCCCC2)C1 689822994 RNCLODXDZMVGJN-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1OCC 690031333 NFLDGSSPXLCEQB-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CCC1(Nc2cc(Cl)ccc2C#N)CCCC1 690789322 KPDHFBDXYJSMLZ-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE CCc1ccc(Nc2ccc(C#N)cc2F)cc1Cl 691226783 GZZBDSBIJBFRPW-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](C)C1CCC1 692749757 MLWVAAZDJQESLS-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](OC)C1CCC1 692799661 ZMLSXOLBPNTKEH-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@H]1Nc1ccc(Cl)cc1C#N 695702668 AMSBTIQNFQTFKC-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1cscn1 697915616 CKSKYCPGHNHWSI-QWHCGFSZSA-N 254.443 4.543 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)cc(OC)c1 698720799 HLMAMWVEZLXOIT-HNNXBMFYSA-N 269.816 4.709 30 10 CJEE Cc1ccc(COc2c(Cl)cccc2Cl)cc1C#N 701870062 FTOZCQLYSSXQNA-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@]1(C)OC 703737820 FIKLAKPLGLKVFV-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@@](C)(CC)C1 704959299 NQCHUEHGWURIBJ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ncccc2Cl)CC1 707455953 WFKFZGWVRZZMRH-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE CCCC[C@H](CC)C[C@]1(C#N)OCCc2ccccc21 710167297 NVBRJXLLXWRKGF-MAUKXSAKSA-N 271.404 4.585 30 10 CJEE CC(C)(CNc1cc(Cl)ccc1C#N)CC(F)(F)F 710393930 JGJZXZSHGUSKTK-UHFFFAOYSA-N 290.716 4.602 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@H]21 712381265 ACUYCXXIVVBOQY-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 714286909 NMSXRADVAHGPRF-IJEWVQPXSA-N 288.822 4.982 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCC3(CCC3)CO2)CC1 716307068 XTTJGYKFYAGZMO-UPTPFMHGSA-N 278.436 4.511 30 10 CJEE C=CCCC[C@@H](NCCC)c1c(F)ccc(F)c1F 716403198 SCCNIQNSPLMOEE-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CCC(=CC(=O)c1c(C)ccc(Br)c1F)CC 721168816 IPYZITSGTXOURM-UHFFFAOYSA-N 299.183 4.826 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]2COCC[C@@H]2C1 723629847 XDIRXUHDNIUSOK-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE C=C1CCC(CNCc2ccc(C(C)(C)C)s2)CC1 724443867 ZDCPTKIJYPGBEH-UHFFFAOYSA-N 277.477 4.882 30 10 CJEE C=C1CCC(C[C@H](C(=O)O)c2ccc(Cl)cc2)CC1 724575026 AOWKSPOKFBWPJE-HNNXBMFYSA-N 278.779 4.645 30 10 CJEE Cc1cc(F)ccc1C#Cc1ccc(Cl)cc1Cl 725390906 HFBSOTWUZFMUBI-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE CCOc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)c(C)c1 781421746 KQAWZSWZWUGIKY-ZDUSSCGKSA-N 298.361 4.578 30 10 CJEE C=CCC[C@@H](C(=O)N1C2CCCC1CCC2)c1ccccc1 1126152187 QKIBIROAKZGSGO-CTWPCTMYSA-N 297.442 4.670 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1127775210 IYNLGRYKXPATFZ-SFHVURJKSA-N 299.458 4.906 30 10 CJEE C=CCC1(CNC(=O)c2scc(C)c2Cl)CCCC1 1128966109 NLKZSTCJEGYSMY-UHFFFAOYSA-N 297.851 4.576 30 10 CJEE C=CCC1(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)CCCCC1 1130743829 OATIUSUNPMJOKD-HOTGVXAUSA-N 291.479 4.702 30 10 CJEE CCCCCCCCN(C)Cc1cnccc1Cl 1137235496 RCSQNKIARHTCCJ-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE CC#CCCSc1nc(C)c(C)n1C1CCCCC1 1188409036 RLNVRPROUMXPTJ-UHFFFAOYSA-N 276.449 4.511 30 10 CJEE C=C(C)CCN1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 1191258991 QYRGXRRWWVLIPF-ZBFHGGJFSA-N 261.409 4.581 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CC(C)(C)CC[C@H]1C 1207447972 HTHHTSDGJQKXFD-CABCVRRESA-N 251.458 4.783 30 10 CJEE N#CCc1ccc(F)c(-c2ccccc2C(F)(F)F)c1 1239544564 CNYWQUQCGLQVKY-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC(C)(C)C)CC(C)(C)C 1266986386 VBVGSVPLTSMVKQ-CQSZACIVSA-N 267.457 4.510 30 10 CJEE C=CCN(C(=O)CCC(C)(C)c1ccccc1)C(C)(C)C 1279620836 LXTRONMEYYKIHB-UHFFFAOYSA-N 287.447 4.558 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCC[C@H](SC)C1 1308715196 VRDISRHZVSRJFE-CVEARBPZSA-N 275.461 4.891 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H](C)c1ccccc1 1308814168 BISIEMOQPJLWON-YLJYHZDGSA-N 279.427 4.567 30 10 CJEE C=CCCC1(CNC(=O)N(CC)C[C@H](C)CC)CCCC1 1313003350 JXWFJGGZIAPMAY-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C=C[C@@H](CC(=O)Oc1ccccc1Cl)c1ccccc1 1354776252 ZCTWXTOVEPMVRT-ZDUSSCGKSA-N 286.758 4.605 30 10 CJEE C=CCC[C@H](NC(=O)/C(C)=C\c1ccco1)c1ccccc1 1357220963 VHANJNYWUHZPRE-OUFNUQFJSA-N 295.382 4.507 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(SC)c(Cl)c1 1435384075 GUMMPSKRQOUXJM-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C)c2ccccc21 1435840318 VPALWWXGKSPPSX-CABCVRRESA-N 271.404 4.519 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCC1CCCCCC1 1458275945 SZQYQPHKTVGHND-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=CCCN(OCc1ccccc1)[C@H](C)c1ccc(F)cc1 1459974470 SHZGDQCPXIVORW-MRXNPFEDSA-N 299.389 4.897 30 10 CJEE C=CCC1(CNCc2cc(C)sc2C)CCCC1 1461503370 WTNBESOSIQGKKG-UHFFFAOYSA-N 263.450 4.591 30 10 CJEE C=CCN(CCSCc1ccccc1)c1ccccc1 1462107833 XWWLKQUVOWCDGS-UHFFFAOYSA-N 283.440 4.612 30 10 CJEE C#C[C@H](NCC[C@H](C)CCC=C(C)C)c1ccc(F)cc1 1474544305 NOTUYAYZDOCCSJ-APWZRJJASA-N 287.422 4.862 30 10 CJEE C=CCC1(C(=O)Oc2ccccc2Cl)CCCCC1 1530339490 RLPJSUSCTAXAKJ-UHFFFAOYSA-N 278.779 4.772 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](C)CCC(C)(C)C)c(Cl)c1 1537022503 KKSQNOIXYZFINV-LBPRGKRZSA-N 291.822 4.722 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC(C)=C(C)C1 1539034928 JFEJMHUIXBKEAP-IBGZPJMESA-N 297.442 4.728 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1 1539557881 INWMCOLLRAWMPI-HNNXBMFYSA-N 269.388 4.629 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCCC[C@@H](c3ccccc3)C2)CC1 1560577634 KHMDUCOHFGBTHT-CWJKEVGVSA-N 295.470 4.885 30 10 CJEE C=CCC[C@H](C)Nc1ccc(N2CCCCC2)c(F)c1 1560981893 NLXJKILYSXVAET-AWEZNQCLSA-N 276.399 4.583 30 10 CJEE C=CCCCC(=O)Nc1ccc(OCCC(C)C)c(F)c1 1586197977 HJFMAXFOMINQFH-UHFFFAOYSA-N 293.382 4.545 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C(C)C)c3ccccc32)CCCC1 1586555130 HLJPJCAXWIGBOX-QGZVFWFLSA-N 297.442 4.909 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@@H](CC)CC1CCCCC1 1586932659 HCASZTJYGRFLTH-INIZCTEOSA-N 279.468 4.844 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 1587022147 YFYMTFGRMIIOEQ-RBUKOAKNSA-N 299.458 4.823 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@H]1Cc1ccccc1 1621455002 VYDIFNUXNADABO-ZWKOTPCHSA-N 271.448 4.590 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C)c1C 1622844169 IYDRSWLNKSLYRX-WBVHZDCISA-N 286.419 4.560 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1oc2c(C)cccc2c1C 1623981515 FHAZZOLGWXKKGS-UHFFFAOYSA-N 299.414 4.772 30 10 CJEE C=CCCCCCCCNC(=O)C(C)=C1CCCC1 1638406511 FSTWLCGASFVCOB-UHFFFAOYSA-N 263.425 4.520 30 10 CJEE C=CCCCCCSc1n[nH]c(/C=C\c2ccccc2)n1 1640834752 OODGMAGWQIGXDO-SEYXRHQNSA-N 299.443 4.814 30 10 CJEE C=C(C)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 1642485966 WGIQUUOYMMQZOO-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE Cc1cc(S[C@H](C)c2cc(F)ccc2F)ccc1C#N 1652057974 BDCODCWCBRXSAP-LLVKDONJSA-N 289.350 4.998 30 10 CJEE C=CCCCN1CCc2c(Cl)cc(Cl)cc2[C@@H]1C 1652688531 AILYOACJCMUGFT-NSHDSACASA-N 284.230 4.879 30 10 CJEE CCCCCCCCN1CC[C@@](C)(C(F)(F)F)C1 1654714803 CIAAHGKBXUSJBV-CYBMUJFWSA-N 265.363 4.621 30 10 CJEE C=CCCCCCN(C)CCc1nsc2ccccc12 1657378254 VXUKKWXRRMIRPP-UHFFFAOYSA-N 288.460 4.517 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CSc2ccccc21 1658174979 XERJOVLPTOMIEP-CABCVRRESA-N 275.461 4.600 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@H](CCC(C)C)C2)CC1 1663224002 SDWGJHQNBWLKQW-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)cc1Cl 1666924163 QVTDMYFQNCXZGD-GFCCVEGCSA-N 280.799 4.515 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C)c(Cl)c1 1673186161 KTLNCMZJJFDNIO-UHFFFAOYSA-N 280.799 4.515 30 10 CJEE CC(C)(C)C1(CNc2ccc(C#N)c(Cl)c2)CCC1 1876768956 XDYPKBIKPHTJDK-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC12CCCCC2 1879648749 YITUMDSSQMXXSX-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CC#CCCC[C@H](NCC)[C@H]1CCCCC12CCC2 1879651441 SLSOYYXLHKGZBL-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(C(F)F)n1 1880736309 NPEBMIRUFSCFLW-HNNXBMFYSA-N 270.367 4.554 30 10 CJEE C#CC[C@H](C[C@@](CC)(CCCC)CNCC)C1CC1 1887454558 ZCFBOOBMCOJXRR-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE C=C[C@@H](Nc1ccc(C(F)(F)F)cc1F)C1CCC1 1892933099 HKZJUJMNKUWFFU-GFCCVEGCSA-N 273.273 4.611 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc2sccc2s1 1903135129 YWLIZRKPWIZRQN-GFCCVEGCSA-N 251.420 4.565 30 10 CJEE C=CCCCCCC1(C(=O)O)CC2(CCCC2)C1 1912732534 PPBLUFGGPRBZNJ-UHFFFAOYSA-N 250.382 4.548 30 10 CJEE CC1(C)CCC[C@@]1(C#N)[C@@]1(O)CCC2(CCCCC2)C1 1915917961 SVJJFGVBGBUFOZ-ZWKOTPCHSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)Cc1cccc(Cl)c1 1919401029 CUKJRTADEIKNEH-KRWDZBQOSA-N 296.838 4.563 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C[C@H](C)CC(C)(C)C 1920386890 LIAZMICVBKOWQO-JZXOWHBKSA-N 285.516 4.888 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCCC)[C@@H]1CC1(C)C 1920952607 YQFINWHVYNKARD-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCCC12CCC2 1921658694 VDTZVSISOYYNRX-INIZCTEOSA-N 269.860 4.858 30 10 CJEE C=C([C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C)[Si](C)(C)C 1922872632 HBHIBMXUNYWVLE-UKPHBRMFSA-N 281.560 4.861 30 10 CJEE C=C([C@H](CC1=CCCCC1)NCCC)[Si](C)(C)C 1922961715 CMOLWAYSIAUYRS-INIZCTEOSA-N 265.517 4.679 30 10 CJEE C=C(C)CC[C@@H](C)n1c(S)nc2cccc(C)c21 1925035804 BGARRBKWKAELMM-GFCCVEGCSA-N 260.406 4.551 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 1927667728 OQYISMJYCGCLOK-RISCZKNCSA-N 294.782 4.795 30 10 CJEE CC(C)(C)c1ccc(C=CB2OC(C)(C)C(C)(C)O2)cc1 1927748510 YFRZHSQPVQZMJR-UHFFFAOYSA-N 286.224 4.629 30 10 CJEE 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C=C(Cl)C[C@@H](NCCC)c1c(F)ccc(C)c1Cl 2314003486 VLLMNIIDOQVPKI-GFCCVEGCSA-N 290.209 4.971 30 10 CJEE C#CC[C@@H](C)COCCCc1cc(Cl)cc(Cl)c1 2318634289 CGIAMQPLHBIMKP-GFCCVEGCSA-N 285.214 4.602 30 10 CJEE C=CCCCCCCN(C)CCCC[C@H]1C[C@H]1C 2320021845 MGZJLBTWXWPBQU-SJORKVTESA-N 251.458 4.881 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C)CC(C)C1)NCC 2321130637 KUGJUIPDVFRULL-XGHPGWEVSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(Cl)ccc(F)c1F 2321144835 KUDJCCXMFIHIRO-AWEZNQCLSA-N 272.722 4.793 30 10 CJEE CCCCCCCN(C)CCC1(C(F)(F)F)CC1 2321567819 ILINLQCTBUKJFF-UHFFFAOYSA-N 265.363 4.621 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1ccccc1Cl)C2 2321759732 WRHZTLJCHBGQQG-UHFFFAOYSA-N 259.780 4.702 30 10 CJEE COc1cccc(SC[C@@](C)(CS)C(C)(C)C)c1 2327294329 KTNNUCRQMMTDAB-OAHLLOKOSA-N 284.490 4.770 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(F)cc1SC 2328541885 YFFAWEMHMTWXBW-CQSZACIVSA-N 268.397 4.718 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329178525 IPTZWZLDDMLDGX-TUVASFSCSA-N 273.411 4.616 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC(F)(F)C1 2334489365 YLDLYYMJUUWZRF-DMDPSCGWSA-N 277.305 4.777 30 10 CJEE C=CCCCCCCCCCN1CC(CCC#N)C1 2337778312 UWSIUUWTJNZLTQ-UHFFFAOYSA-N 262.441 4.529 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1CC2(CCC2)C1 2338731542 BGFQPBRKMCKHJX-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)NCC 2338743048 BJCWYDIXDUZZCC-XDNAFOTISA-N 261.453 4.559 30 10 CJEE CCCCCCCCC1(F)[C@H]2CSC[C@H]1CC(N)C2 2341182472 QKGSREYIFHRMNS-WXLSXGNJSA-N 287.488 4.546 30 10 CJEE C=C[C@](N)(c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C 2342455459 ZYKACYCDZBOLPO-ZDUSSCGKSA-N 291.744 4.745 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1ccc(C#N)c(Cl)c1 2343154848 ZLZPHRCHIIEGBO-GXTWGEPZSA-N 277.795 4.663 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1cccc(C(C)C)c1 2343617818 GDJCTMYVJMDCLB-QGZVFWFLSA-N 257.421 4.510 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C(F)F)o1 2344336977 NFVDKWBFDVLIIT-DZGCQCFKSA-N 271.351 4.860 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCCC(F)(F)C1)NCC 2344347006 XXPBUMALEBRSPV-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC[C@H]1C(F)F)NC 2344347255 AEPXHFWDICZULX-FQLMCAECSA-N 273.411 4.638 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cccc(SC(C)C)c1 2352910183 YVYLVLXTBQSJEZ-DLBZAZTESA-N 275.461 4.804 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NC[C@@H](C#N)C2CC2)c1Cl 2353022661 GPPWTJSEJLSNSJ-CMPLNLGQSA-N 297.229 4.502 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21)C(C)(C)C 2355153960 CZBPLBFHWFDQKF-LJISPDSOSA-N 285.422 4.638 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCC2)CCc2ccccc2C1 2357668083 OATCBGNORXHXKO-FHWLQOOXSA-N 265.400 4.512 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1OC 2358323515 OPYMUUOVYQSFQH-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359077480 REFKYSPJDVLFHJ-XMTFNYHQSA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)SCc1cccc(CNCCC)c1 2360323848 LIEUOFBMIMXBAO-UHFFFAOYSA-N 289.488 4.940 30 10 CJEE N#Cc1ccccc1Oc1cccc(Cl)c1Cl 20022282 AFOOHXGILRVJGO-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 37393202 KQZWRIOOMMZGKT-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE CCc1c(-c2c(Cl)cccc2Cl)sc(C#N)c1N 44273835 CBLPTUHMASDXKJ-UHFFFAOYSA-N 297.210 4.738 30 10 CJEE CCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1 49541762 JCEFKQIXGXTPET-XJKSGUPXSA-N 284.428 4.812 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426667 YBMRRMAETQZFJR-GMXVVIOVSA-N 280.824 4.546 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(Nc2ccc(OC)cc2)CC1 86949149 SHJRKMHNPGBOEW-QAPCUYQASA-N 286.419 4.750 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@@H](CS)C(C)(C)C 94579683 HEWIIJOCYPBPPJ-OLZOCXBDSA-N 299.911 4.925 30 10 CJEE CC[C@@H](CS)COc1cc(C)ccc1C(C)(C)C 94582333 GOOVAIRTEACJFO-CYBMUJFWSA-N 266.450 4.627 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@@H](CS)C(C)(C)C)C1 94585849 ZOXKODLUWHWUGB-RDBSUJKOSA-N 258.471 4.564 30 10 CJEE C[C@@H]1CCCCCN1CCCCCCCCCS 97799144 FLHKJHHBDVLUDU-MRXNPFEDSA-N 271.514 4.911 30 10 CJEE CCCCCCCCCSc1nnc(C(C)C)[nH]1 104136156 CSZNPZPWGPPKKD-UHFFFAOYSA-N 269.458 4.771 30 10 CJEE C/C(=C/C(=O)c1ccccc1)Nc1ccc(C)cc1C 104724752 FJSFODYBOAAFIB-QINSGFPZSA-N 265.356 4.502 30 10 CJEE CCC#CCCc1ccc(Oc2ccccc2)cc1 107634142 QWGWHHVCBQRKMJ-UHFFFAOYSA-N 250.341 4.825 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1)NC 109722926 MPSFQCKGYFHTAX-INIZCTEOSA-N 267.844 4.831 30 10 CJEE CCCCCCCCOc1ccc(CCN)cc1Cl 109765243 XCBMMGNUHJENMI-UHFFFAOYSA-N 283.843 4.581 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 110023374 FSSQLRWGTHNHAN-YESZJQIVSA-N 284.484 4.939 30 10 CJEE CCCCCCCCCCNc1ccc(OC)nc1 110153662 LBJGIZCEKCZABK-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 110255576 LRUVDEPNWIKMBV-FZMZJTMJSA-N 296.336 4.958 30 10 CJEE Cc1ccc(Sc2ccc(C#N)cc2Cl)cc1C 110354094 HUKGRLYTXLPQQN-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCCCC[C@H](O)Cc1cccc(F)c1 112885935 KQZPSYBHOWVINR-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]1O2 114189779 RDNQJJVPRMAKKH-MHORFTMASA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@H](N)CSc1ccccc1F 117373534 QVXXPZOSTFVGTO-CQSZACIVSA-N 283.456 4.996 30 10 CJEE CCCCCCC[C@H](NC)C(CC)(CC)N(CC)CC 118170245 HBWBZRXMWITQMA-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCCCCC[C@@H](NN)C1(OCC)CCC(C)(C)CC1 131074152 SAACLCORNPGYNZ-MRXNPFEDSA-N 298.515 4.554 30 10 CJEE N#CC1([C@H](O)c2ccc(C(F)F)cc2)CCCCCCC1 131713978 ZMSCVUUSUSZSJT-OAHLLOKOSA-N 293.357 4.912 30 10 CJEE Cc1cc(Cl)c(N[C@@H]2CCCC[C@H]2C#N)cc1Cl 132121959 OAEQFFSIPDIZFA-GXFFZTMASA-N 283.202 4.796 30 10 CJEE Cc1ccc(-n2nc(C3CCCC3)c(C#N)c2Cl)c(C)c1 134263766 IUFBJRLPOYWYBP-UHFFFAOYSA-N 299.805 4.672 30 10 CJEE Cc1cc(Oc2ccc(C(C)(C)C)cc2)c(C#N)c(C)n1 156599412 QJZPJIYSZIWSJC-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCC1(CNCC)C[C@@H]2C[C@H]2C1 157412251 LIFACRIYOMBHJD-HOTGVXAUSA-N 251.458 4.763 30 10 CJEE CCCCCCCCCC[C@H](CCN(C)C)NCCC 158724651 IVJDNYSSYVTCTK-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](C)C1CNC1 164854124 QZRRVBJKBRLIPY-INIZCTEOSA-N 281.484 4.722 30 10 CJEE Cc1cc(C#N)ccc1CS[C@@H]1CCC[C@H](C)C1 166000125 UZFAJFWXJFDKGV-BLLLJJGKSA-N 259.418 4.679 30 10 CJEE CCN[C@H](C)c1ccc(-c2ccc(C#N)s2)cc1Cl 167298190 NKRJMTFNAPICAZ-SNVBAGLBSA-N 290.819 4.611 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2C(C)C)cc1 215027516 NKRJUYOEJXPDGL-RBUKOAKNSA-N 287.447 4.556 30 10 CJEE N#Cc1cccc(Nc2nc(Cl)c(Cl)cc2Cl)c1 226488878 MZEJMMTXYVXIJS-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCC[C@H](C)Nc1cccc(NC(=O)OC(C)(C)C)c1 227588017 LMWMUTBQLWCWBX-ZDUSSCGKSA-N 290.407 4.800 30 10 CJEE N#Cc1cc(F)cc(Oc2ccc(C(F)(F)F)cc2)c1 227634790 MNSAMYRMKIUDPK-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE C#CCCCCN[C@H](C)c1sc2ccccc2c1C 229642593 DEKIRHXVOUVFIB-CQSZACIVSA-N 271.429 4.664 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CCc2cccnc21 229818341 OSMNTFYQMILOLY-ZWKOTPCHSA-N 288.479 4.840 30 10 CJEE CCCCCCCCCCC(=O)CC(C)(C)OC 230954187 LOCKROWMMDOZNJ-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cncc(C)c1 233164496 XCZJCBYOFSWFHX-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCCc2sccc21 234432103 DIZUPYAAIWJWIG-HOCLYGCPSA-N 277.477 4.893 30 10 CJEE O=C(CSc1ccccc1Cl)C1=CCCCCC1 236058685 MUDVFDBYVAACEL-UHFFFAOYSA-N 280.820 4.892 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NC[C@H]1C 250808576 GQGGUQRAAIKXBN-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 251326355 HSYHAQAYACBFPY-QSPRXWTASA-N 273.445 4.994 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H](C)CC(C)C 300517743 JDIHZQNXVUSLDG-QZTJIDSGSA-N 284.532 4.821 30 10 CJEE CC[C@@H](Nc1cc(C)cc(C#N)c1)c1ccc(C)cc1 308124636 XALHBQORECFFNX-GOSISDBHSA-N 264.372 4.738 30 10 CJEE CC[C@@H]1CCC[C@H](C2(C#N)Cc3ccccc3C2)C1 311347484 CPTGHUCDNIYBAK-PBHICJAKSA-N 253.389 4.512 30 10 CJEE C=CCC(C)(C)COCc1cc(Br)ccc1C 313744293 ZCKAVXGLQVLQLV-UHFFFAOYSA-N 297.236 4.876 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1ccc(Cl)cc1Cl 316700266 BBKFLFSIXXAQFX-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cc(Cl)ccc1Cl 317101980 CEBDRSORKCFZTH-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=CCCCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 319355666 RNZUZGHLGYCBPN-FQEVSTJZSA-N 295.426 4.731 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)[C@H]1CC2CCC1CC2 382249539 WZLKLKDGGBUXAO-RDHHWEPZSA-N 276.468 4.511 30 10 CJEE C=CC(C)(C)CNCc1sc2ccccc2c1Cl 385130461 GYMDCCCNKINVRD-UHFFFAOYSA-N 279.836 4.857 30 10 CJEE C#Cc1cccc(NCC2CCC(C(C)C)CC2)c1 388001261 OTSXSJZFSRWVMY-UHFFFAOYSA-N 255.405 4.542 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCCc2sc(Cl)cc21 393807628 QBBUVAWQVOILIL-CMPLNLGQSA-N 269.841 4.723 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)C(CC)(CC)CC)C1 395246771 WVKMUYJHWPQOKD-BFYDXBDKSA-N 265.441 4.674 30 10 CJEE N#CCc1cc(C(F)F)c2sc(Cl)cc2c1 396191844 QFBYVPFDAMMEMH-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CN(Cc1ccc(Cl)s1)C[C@H](C#N)C1CCCCC1 397358411 QAQYBYOEEQKPQD-ZDUSSCGKSA-N 296.867 4.553 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1cc(F)c(C)cc1F 398173636 MAYJWOSHWZKOFS-QWHCGFSZSA-N 267.363 4.669 30 10 CJEE C[C@H](CCS)CCSc1nccc2ccccc12 401504696 JJHWBMBORQMCGS-GFCCVEGCSA-N 277.458 4.673 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](C)CC(F)(F)F 402822920 DCYDBQKEKKKVJD-CHWSQXEVSA-N 267.379 4.914 30 10 CJEE CC[C@@H](OCC[C@H](C)CCS)c1ccccc1 403312428 ZEJFOGLSRASOHT-DZGCQCFKSA-N 252.423 4.500 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C(C)C)nc1 410394548 ZFZGGJSOMJTWST-UHFFFAOYSA-N 294.398 4.576 30 10 CJEE C=CCCCC[C@@H](C)NC1CCC(C(F)F)CC1 442828289 RCBMYKOODCLOBS-IYXRBSQSSA-N 259.384 4.535 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](CCC)c1ccc(F)cc1F 466424865 HMOGKTADIAXRTQ-MLGOLLRUSA-N 295.373 4.525 30 10 CJEE C#CCCCCC[C@]1(CNCCC)CCCC[C@@H]1C 686696253 YGONUBCJGQGFAU-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1CCC2(CC1)CC2 686704120 QDCXMEFHBGVZLY-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@]1(C)CCOC1 687388156 MBYYFRQGMRHWJR-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)[C@H]2CC2(C)C)C1 688320656 YNERMKJLDMPTIV-SUMWQHHRSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCOC2 688378213 IATWFVNIAMMKAJ-UHFFFAOYSA-N 274.404 4.693 30 10 CJEE CCOc1cc(Nc2ccc(C#N)cc2Cl)ccc1C 690126144 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CJEE C=CC1(C[C@H](O)Cc2ccc(Cl)c(Cl)c2)CCC1 2049028137 UGLKNJPOLWRLHN-GFCCVEGCSA-N 285.214 4.643 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)[C@@H]1CCCC(C)(C)C1 2049532432 KTHZIIDEVDCBGE-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1ccc(Cl)s1 2053394159 NGWXMVYVTHXAEC-JSGCOSHPSA-N 283.824 4.545 30 10 CJEE CCC#CC[C@H](CCCCCCCCC)NCC 2053772676 MIKXCLQXFVBOTE-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CC[C@@H](CF)CC1 2054642611 BEGXNTBMVXLVSD-OAGGEKHMSA-N 257.437 4.853 30 10 CJEE C=CC1(NCc2ccc(Cl)cc2C)CCCCC1 2057947265 LHRGCVJXHFTEAM-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE C=CCCCC[C@H]1[C@@H](NCCC)C[C@H](C)C[C@H]1C 2059112315 SFXPATPYPYEIOQ-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE CSc1cccc(C(=O)C2=CCC(C)(C)CC2)c1 2061188871 XQBGBPQIJDENQQ-UHFFFAOYSA-N 260.402 4.728 30 10 CJEE C=C1CC(C[C@](C)(O)C2CCC(C(C)C)CC2)C1 2061690549 HEEGYYROYQMVFF-JCYILVPMSA-N 250.426 4.556 30 10 CJEE CC[C@@H]1CCC[C@H]([C@]2(C=O)CCCC(F)(F)C2)C1 2065220158 CKGFREHZSDMMMR-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CC[C@](C#N)(CCC(C)C)Nc1ccc(Cl)cc1 2065987178 HSFCMZXRRDZBAY-OAHLLOKOSA-N 264.800 4.860 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CC[C@@H]2C1 2068757755 KMBBQDFJQQRJQJ-WCXIOVBPSA-N 252.442 4.924 30 10 CJEE CCCCCCCN(C)[C@@H](C)C(C)(C)C(F)(F)F 2072897623 YXDJPIGJNGZVGF-LBPRGKRZSA-N 267.379 4.866 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1CC[C@H](C)S1 2074944558 KBYQNOLWYPAUSB-HOTGVXAUSA-N 271.514 4.953 30 10 CJEE CCCCCCCCN(C)CC[C@H]1C[C@H]1C1CC1 2075942303 GDTQUQPPTWPEIK-IRXDYDNUSA-N 251.458 4.715 30 10 CJEE CCCCCCCCNCc1c(C)cccc1F 2076036331 ATCRUFXPUGQRKO-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@H]1CCC 2079448787 YJZSHESACPKIEJ-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@H]1CCC[C@@H]1CNC(C)C 2085840364 XMGNDRVFALZVGS-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1ccns1 2086260424 ZEYXVVRYKGERSL-CQSZACIVSA-N 266.454 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](N)C1[C@H](C)[C@H]1C 2086264671 WHJIFXPVSXGHNT-OAGGEKHMSA-N 251.458 4.913 30 10 CJEE C=CCCCCCCCCN[C@@H](C)[C@H]1CC1(C)C 2086280427 GPENXEOQSQLOSN-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)c1ccsc1Cl 2086292248 HRAVWMHVYRGNEE-QWHCGFSZSA-N 289.872 4.513 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)C[C@H](C)CC 2093450070 INQAHHYZIYCGFX-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE Cc1ccsc1[C@@H](C)N=C1N[C@H](CC(C)(C)C)CS1 2095319040 UZKKVJYIBUOAQR-VXGBXAGGSA-N 296.505 4.615 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)[C@H](C)CC(C)C)C[C@@H](C1)C2 2097621273 HLEVOHQKPACXGP-WXCOAYGQSA-N 263.469 4.782 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(CCCC)cc1)C1CC1 2102000248 NCUQEWVYMPVZOR-KBXCAEBGSA-N 257.421 4.644 30 10 CJEE C=CCC[C@H](C)Oc1ccc(Cl)cc1CNCCC 2102101511 WCUDEMHZAAXOPL-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2102145340 KUMLOXKWELTUGX-KFWWJZLASA-N 273.411 4.760 30 10 CJEE C=C1C[C@@H]1C[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1 2102471886 XKWGMTUWLJOYKX-KZNAEPCWSA-N 263.469 4.785 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC(C)(C)C(F)(F)F)C1 2103344686 CTIAAIWOVUHHMQ-UHFFFAOYSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H]1C(F)(F)F 2103540229 IGNNBECLBBGJEI-UONOGXRCSA-N 279.390 4.915 30 10 CJEE CC(F)(F)[C@@H]1CCN(CCCCCCCCCS)C1 2103855640 BVCBNWXHBIFZAM-CQSZACIVSA-N 293.467 4.624 30 10 CJEE CCCCCCCCNC1C[C@@H]2CC(F)(F)C[C@H]2C1 2103963818 BRTBACXDFCUNAA-ZIAGYGMSSA-N 273.411 4.760 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccc(SC)cc1 2108209837 ALCYVJWGZGZWMK-JKSUJKDBSA-N 277.433 4.552 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H]1CCCCCC1(F)F 2108647295 DHUSOFFVELDFAU-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C[C@](C=O)(C[C@H]1CC12CCCCC2)c1ccccc1 2109399020 OWRHIOUJQBYTAO-DLBZAZTESA-N 256.389 4.504 30 10 CJEE C=CC1(C[C@@]2(CNC(C)(C)C)CC[C@@H](C)C2)CCC1 2111712249 VNIVNEAYJYKZGZ-CRAIPNDOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CCCCC(F)(F)C2)CC1 2112585339 FGWDAOGVYIODAL-CQSZACIVSA-N 270.363 4.908 30 10 CJEE CCCCN(CC(C=O)(CCC)CCC)[C@H](C)CC 2115625676 ABBRGVYQNCIFLI-MRXNPFEDSA-N 269.473 4.673 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1c(Cl)cccc1OC 2116656628 VODNJQOADPTTJO-GXTWGEPZSA-N 281.827 4.602 30 10 CJEE Cc1cccc([C@H](C)Nc2cccc(Cl)c2C#N)c1 2116849222 WAVZQVPRFVNEAX-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC(C)(C)c1ccccc1CC1=CC(=O)CCCC1 2117649439 YBEZVDRXWJRVOE-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE CCCCCCCCCCOC[C@H]1CC[C@@H](N)CC1 2118465466 BJMYNIHJDZBJTL-CALCHBBNSA-N 269.473 4.661 30 10 CJEE CC1=CCC[C@@H](C[C@H]2CC23CCC(F)(F)CC3)C1=O 2119190996 GOHYPPMOZIUYMU-STQMWFEESA-N 268.347 4.518 30 10 CJEE C#CCCCCC[C@H](NC)C1(C)CCC(C)(C)CC1 2120100502 HTENFDMBMZDMIL-INIZCTEOSA-N 263.469 4.765 30 10 CJEE O=C(C=C1CCCCC1)[C@H]1CC12CCC(F)(F)CC2 2120507498 YFWBQMUNNNHMFX-CYBMUJFWSA-N 268.347 4.662 30 10 CJEE N#C[C@@]1(Cc2ccc3sccc3c2)CCCC12CC2 2120693966 RSFRKTZCLYNLQV-KRWDZBQOSA-N 267.397 4.918 30 10 CJEE C=C([C@@H](NCCC)C1(C2CC2)CCCC1)C(C)(C)C 2121220090 UTADQEIWPRMWIS-MRXNPFEDSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cccc(CC)n1 2121920423 CQKSDKJURAUPQS-QGZVFWFLSA-N 263.425 4.602 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(CC)n1 2121945101 RRYYYSNXUXGTOF-INIZCTEOSA-N 262.441 4.655 30 10 CJEE C=C1CCC(C[C@@H]2CC[C@@H](NCCC)[C@@H]2CC)CC1 2122593442 DAZLJMYIYHPRIY-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2CCSC2(C)C)CC1 2125202399 BJZWXVAKWBRBLJ-KGLIPLIRSA-N 280.477 4.860 30 10 CJEE C=C1CC([C@@H](Cc2ccc(Cl)cc2Cl)NCCC)C1 2125666120 MIWXEWGEMZRPBY-MRXNPFEDSA-N 298.257 4.870 30 10 CJEE C=C1CC(C[C@H](NCC)c2cc(F)c(Cl)cc2F)C1 2125735686 MRZAOUYDGHFRBK-HNNXBMFYSA-N 285.765 4.625 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](N)(CC#C[Si](C)(C)C)CC1 2130916492 DEYILVNHOIXRKG-WBVHZDCISA-N 279.544 4.581 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)C3(C)CCCC3)C[C@@H](C1)C2 2131236157 UUSPJNBZGKFLHR-VPSFDDGASA-N 261.453 4.680 30 10 CJEE C=C([C@H](NCCC)[C@@H]1C[C@@H]1C1CCCC1)[Si](C)(C)C 2135329005 UQQCUIQWTXQJNA-ZACQAIPSSA-N 279.544 4.615 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@H]2C[C@@H]2C2CCCC2)C1 2135578517 RPXSBTSBMWXCRX-DLBZAZTESA-N 261.453 4.537 30 10 CJEE N#Cc1ccc(Nc2ccc(F)c(Cl)c2F)cc1Cl 2135974767 NFURSROLDXWDJI-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCC#CC[C@H](N)c1ccc(SCC)cc1 2138957702 ZADVZHCHOYHRQX-KRWDZBQOSA-N 275.461 4.772 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2138993857 MCKASPRKAAUDFF-KSZLIROESA-N 263.469 4.621 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@H]1C[C@@H]1C(C)(C)C 2138994041 NJDZOYYRHQUQNI-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCCCC#CC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2 2139001335 KPGMRKMUVWXIMY-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CCCCC#CCC(=O)C1CC(C)(C)CC(C)(C)C1 2139061184 ZMOHQRODALEPLI-UHFFFAOYSA-N 262.437 4.992 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H](CC)OCC 2142434995 MFKNEJZGUMYFNE-IAGOWNOFSA-N 269.473 4.826 30 10 CJEE CC(C)c1ccccc1CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2145978612 PXUHFNHAXKVAEI-BYICEURKSA-N 285.456 4.920 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)CCCC12CC2 2147187225 SUSUAJGIEOUWBG-GOSISDBHSA-N 280.452 4.782 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(O)[C@@H]1CC1(C)C 2147251562 QWGNKEJQBMOUQK-CRAIPNDOSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)C[C@H]1CC=CCC1 2147555140 KMZLLTJPKRSAJA-KSZLIROESA-N 281.484 4.562 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)[C@H]1CCC[C@@H](CC)C1 2147981152 BRGCBWALPJVFNW-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](NC)[C@H](O)[C@@H]1CCCC[C@@H]1CC 2148585717 FCIBCXVKVCFGLK-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1csc(C)c1 2148591724 YIBMPLRYKYSYQC-SJORKVTESA-N 297.508 4.819 30 10 CJEE Cc1ccc(NC[C@@]23CCCC[C@H]2CCC3)c(C#N)c1 2149150284 UAWLANYXBJUJLW-WMZOPIPTSA-N 268.404 4.639 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)C1C[C@H]2[C@H](C1)C2(C)C 2149740847 OIBADFIFZKAEAM-BPNCWPANSA-N 288.822 4.694 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H](OC)C2CCCCC2)C1 2150295446 QQPKHBGSSBNJAU-NJAFHUGGSA-N 280.452 4.757 30 10 CJEE CC(C)CCC[C@H](C)N=C1N[C@]2(CCCC2(C)C)CS1 2150557841 SHGOJQCEFGHVJQ-WMLDXEAASA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@@H](O)[C@H](NC)c1sccc1C1CC1 2151041055 JAPFLMNQZFDOAQ-CVEARBPZSA-N 295.492 4.607 30 10 CJEE CCCCCCCCCCCCC1(O)CC(N)(CC)C1 2152807081 NTTZESHENVJEKL-UHFFFAOYSA-N 283.500 4.930 30 10 CJEE CCCCCCCCCC[C@H](N)c1cccc(OC)n1 2154655237 SJABXPISFLNWAG-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE C=C1CCC(CC[C@H](COCCCC)NCCC)CC1 2155681764 BNFFMSRIEKTCHR-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C[C@@H]1CCO[C@H]1CCC1(C=O)CCC(C(C)(C)C)CC1 2157325340 DANFPBOZQXWVON-CTMQZQKCSA-N 280.452 4.613 30 10 CJEE CCCCCCCCCCCC[C@H]1CCNCCC1=O 2157475180 UYSDEPXLSMEZDO-KRWDZBQOSA-N 281.484 4.866 30 10 CJEE CCCCCCCC[C@@H](NCC)c1oc(CC)nc1C 2160604024 NZSMXAKSWKALGC-OAHLLOKOSA-N 280.456 4.947 30 10 CJEE CC[C@H](COC1(CC)CCC(=NO)CC1)CC(F)(F)F 2161451114 BQERUJPNAHZXPB-AMGKYWFPSA-N 295.345 4.535 30 10 CJEE CC(C)Oc1ccccc1C(=O)C1=CCCCCCC1 2163967925 ZPNMJADJZUHNRB-UHFFFAOYSA-N 272.388 4.937 30 10 CJEE C=CCOc1ccc([C@H](NCC)[C@H](C)[C@H](C)CC)cc1 2164123043 NKGBHZAUZYSMCL-IIDMSEBBSA-N 275.436 4.584 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(OC2CC2)c1 2164229160 QWBYIPXZOGLYFN-SFHVURJKSA-N 273.420 4.625 30 10 CJEE CC(C)(CCC#N)CNC[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166171536 PEIBLLINWLLHRY-IKGGRYGDSA-N 276.468 4.512 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)CC[C@@H](C(F)F)C(C)(C)C 2167701566 XQIPAGYFONEAOK-OLZOCXBDSA-N 288.426 4.564 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2C[C@H]2c2ccccc2)CCC1 2168022651 HDRRKGPIXJNGMX-KSZLIROESA-N 269.432 4.515 30 10 CJEE CCCC1CCC(N(C)c2ccc(C)cc2C#N)CC1 2168428504 FPNBYCSUHOWKFE-UHFFFAOYSA-N 270.420 4.662 30 10 CJEE C[C@H](C1CC1)N(CCC#N)C1CCC(C(C)(C)C)CC1 2170182604 WFRRIDUNAUAMNO-ODIFPOPNSA-N 276.468 4.605 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cnc(CCC)s1 2170788517 UYMBRLSYWHIQNV-HNNXBMFYSA-N 292.492 4.720 30 10 CJEE CCC1(CC)CCCN(C[C@H](C#N)C2CCCC2)CC1 2171393987 CZZOZDQYSQWRNZ-KRWDZBQOSA-N 276.468 4.609 30 10 CJEE N#C[C@H](CN1CCCC[C@@H]1c1cccs1)C1CCCC1 2171831356 UUVVAROYBJNASA-HZPDHXFCSA-N 288.460 4.605 30 10 CJEE CC[C@H]1C[C@@H](C)SC(=NCc2ccccc2C(C)C)N1 2174246264 IGRUVCOLIUEDIB-HIFRSBDPSA-N 290.476 4.560 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CNC(C)(C)C1 2175298052 BCJNVAUPSFWSPD-INIZCTEOSA-N 281.484 4.865 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1 2175456809 SWDWYJVFYOKYPE-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CN(C)CC1(CS)CCCCC1 2176470144 FVBFQYOMAUZWHB-DLBZAZTESA-N 297.552 4.871 30 10 CJEE C=CCCCC[C@H](NCC)c1cccc(OC(C)C)c1 2179677161 CPNMMAFRBCXYBA-SFHVURJKSA-N 275.436 4.871 30 10 CJEE COC[C@@H]1CC[C@H](C[C@@]2(C=O)CCCC(C)(C)CC2)C1 2181920066 FMRINYPWNVTKRN-LZLYRXPVSA-N 280.452 4.615 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1cc(Cl)c(F)cc1C#N 2184423221 OTBRTAYDHVHDHH-NHYWBVRUSA-N 294.801 4.756 30 10 CJEE N#C[C@@]1(C2(O)CCCCCCCC2)CCCC(F)(F)C1 2184862096 RTEYRAKQVFPGKX-CQSZACIVSA-N 285.378 4.571 30 10 CJEE C=C1CC(CC2(CNC(C)(C)C)CCC(F)(F)CC2)C1 2184888264 JWZZXFVRVGADER-UHFFFAOYSA-N 285.422 4.927 30 10 CJEE CCCCCCC[C@@H](CN)N1CCCCCCCCC1 2185655373 NDPMMZUCVNJMEK-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C=C(C)CN(c1ccc([C@@H](C)NCC)cc1Cl)C(C)C 2186473090 YJBHXWMBERQLMH-CQSZACIVSA-N 294.870 4.801 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1scc2c1CCCC2 2187128395 OSFWZNUSYKCIIX-INIZCTEOSA-N 289.488 4.717 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OCCF)cc1 2189497188 KGAFUXWMUFRVKA-QGZVFWFLSA-N 281.415 4.785 30 10 CJEE C=CC1(CNCc2c(Cl)cccc2OC)CCCCC1 2189516853 GFWXQVXVTHAEMU-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@H]1CC2(CCCCC2)O1 2189582882 KDKAVQZOIQXCHX-RDJZCZTQSA-N 275.436 4.978 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CCCCCCCCCO 2190718946 CBRBFCZCNIXNLD-SFHVURJKSA-N 282.468 4.885 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@H]1C(C)(C)C 2191932760 CJRSBRJSJVQBHZ-WMZOPIPTSA-N 282.516 4.575 30 10 CJEE CCC1CCC(CN(C)CCCCC(C)(C)C#N)CC1 2192827041 QMGDSJXUNNJBKX-UHFFFAOYSA-N 278.484 4.855 30 10 CJEE C=CCCC[C@H](C)NCC1CC2(C1)C(F)(F)C21CCC1 2195069422 SLFZMLVPWKXNGS-HLIUYOAVSA-N 283.406 4.536 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccc(C)c(C)c1 2196173209 ZYAZDILDLWTARA-IBGZPJMESA-N 271.448 4.928 30 10 CJEE CCCCCCCN(C)c1ccccc1[C@@H](C)NCC 2196735290 VFEFUDWGIARVAU-MRXNPFEDSA-N 276.468 4.764 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1ccc(C(C)C)cc1 2197152265 SKOQGISXDMMGGT-IBGZPJMESA-N 265.400 4.697 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC12CCOCC2 2198188441 PROURVLMBRKCOU-SJORKVTESA-N 281.484 4.661 30 10 CJEE C[C@H]1O[C@@]2(C[C@@]3(C=O)CCCC(C)(C)CC3)CC[C@H]1C2 2198670763 BRODHZJFKVBQQT-ATLSCFEFSA-N 278.436 4.510 30 10 CJEE CCc1ccc(C#N)c(Nc2ccc(F)cc2CC)c1 2201707693 PKRXOJMGJBUJGX-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1CC[C@H](N)CC1 2202002126 JLSUIIXYSPWYLM-BZSNNMDCSA-N 282.516 4.623 30 10 CJEE CCCCCC#CC[C@H](O)C1(C(F)(F)F)CCCCC1 2203751193 OTKKBRYBWNEFIC-AWEZNQCLSA-N 290.369 4.834 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccc(C(F)(F)F)o1 2203789191 BARPYEXACRUDEB-LBPRGKRZSA-N 287.325 4.533 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccc(OC)cc1Cl 2203789443 CVGYGZFHIWKTCR-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2 2203806522 DNWKFLQOBLSWQK-CEXWTWQISA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@]1(N)CC[C@@H](C)c2ccccc21 2203818514 GMPBLPDPASCTAP-APWZRJJASA-N 269.432 4.712 30 10 CJEE CCCCCCCCC[C@]1(O)CCCNC12CCCC2 2204300941 FNUYWYFCIRECKR-SFHVURJKSA-N 281.484 4.554 30 10 CJEE CCCCCCC[C@@H](O)c1nnc(C2CCCCC2)s1 2204819278 NLFLKPGOMZMPJY-CQSZACIVSA-N 296.480 4.980 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1CC[C@@H](COC)C1 2206885762 NIUVYPROLDDTAN-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=CCCCCCC[C@@H](O)C[C@H](C)c1ccc(N)cc1 2206902543 LFWJXZASHXFIDC-MAUKXSAKSA-N 275.436 4.650 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2207391502 MEPJTNGPUBJCDC-VUQDICHWSA-N 276.464 4.946 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCCC[C@@H]1CN 2207402872 FPUKTNKMICIWBM-IAGOWNOFSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCCOCC[C@@H](NC)C(F)F 2207404870 PZEQJRAEUTULEK-OAHLLOKOSA-N 291.426 4.553 30 10 CJEE C=CCCCCCCCCCOc1ccccc1CN 2207410820 AWZWJVIFTIJLFA-UHFFFAOYSA-N 275.436 4.831 30 10 CJEE C=CCCCCCCCCC[C@@H](N)CCOCC(F)F 2207428952 DJUQEIZPMJGZPK-OAHLLOKOSA-N 291.426 4.682 30 10 CJEE C=CCCCCCCCCCO[C@H]1CNCC(C)(C)C1 2207431693 HWCRTIRQBFYRPN-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]2CC[C@H]1C2 2207433702 AASDTTNTEUJZAI-WNRNVDISSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCO[C@H]1CCC[C@H]2CC[C@H]1N2 2207436603 LDZNPZMMRYZRAJ-KSZLIROESA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCC12CCC2 2207439905 BZVBTSNCFYUJST-SJORKVTESA-N 278.484 4.705 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccsc1Cl 2217153486 MIIQAELVXMYBPT-NWDGAFQWSA-N 271.857 4.524 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1[C@H]2CCCC[C@H]21 2223857009 KBGVSHDCGLKIEF-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC(CSC)C1 2223857068 KQSLNAAFIUNJMJ-QQFBHYJXSA-N 271.514 4.857 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc(C)c1OC 2224984074 LXUKNJAEOMVGPB-QGZVFWFLSA-N 263.425 4.538 30 10 CJEE C=C1CC([C@@H](C[C@H]2C[C@H]3CCC[C@H](C3)C2)NCC)C1 2225325423 WBTLXDTUUORUGD-KYHPRHEASA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCN(C)c1cncc(Cl)n1 2226327240 JGUHFHICQYYCPK-UHFFFAOYSA-N 283.847 4.707 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1cccc(F)c1 2227271065 JMCBRYBRGGRBCR-QGZVFWFLSA-N 264.384 4.646 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2228036824 YXQOEOVFSGQBJG-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC1(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 2230644243 KUBGDGZCIGSUPL-IKGGRYGDSA-N 261.453 4.681 30 10 CJEE CN(CCCCCS)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2230715447 SBDKUCGZUCDNRI-IXDOHACOSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCOC[C@@H](N)C1(C)CCCC1 2230988123 DXXMFDVMRTUIDG-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCO[C@@H](CC)[C@@H](C)NCCC 2230991984 ZCMJWKVLRZLZBZ-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCOC[C@@H](C)CNC1CC1 2231007812 CSKMXPIUKNUXNC-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCOC[C@H]1CC[C@H](CC)CN1 2231016091 SLFUIAPQUGJDTH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCC(C)(C)COc1nc(Cl)cc2ccccc12 2231237415 IVDPWLRYILKZGG-UHFFFAOYSA-N 275.779 4.869 30 10 CJEE C=C[C@](C)(CC[C@H]1CCCC1(F)F)CN[C@@H](C)CC 2231542473 IBQJQBCDJSYTSK-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](OCC)C(C)C 2231924222 PTJNVJKWROKBGK-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(C)c(Cl)cn1 2231952444 GEYKACSNBNQWAL-MRXNPFEDSA-N 282.859 4.968 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cccc3ccoc23)C1 2232349437 ZXLFNSSBFYGLJF-CXAGYDPISA-N 253.345 4.695 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2233783376 VICUPTPBSGVOGM-OTWHNJEPSA-N 275.480 4.765 30 10 CJEE CCc1ccc(C#N)c(Oc2cc(Cl)cc(OC)c2)c1 2233998736 FIEPVFNOPVMBAA-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2ccnc(C(C)(F)F)c2)C1 2234914385 HYWBVYZQNYEBON-MRXNPFEDSA-N 278.346 4.555 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccnc(C(C)(F)F)c2)C1 2234919684 YIEHYIVBQTXGBI-BLLLJJGKSA-N 278.346 4.555 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(OC)ccc1C 2235518621 IHQNPWKEWYWAJO-GOSISDBHSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cnn(C)c1Cl 2235521332 IOQKMYMRHGTKRD-OAHLLOKOSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@@H](OCC)C1 2235528353 HHIYCGLLKOBLTI-QZTJIDSGSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCn1cc2c(c1)[C@@H](O)CCCC2 2235542985 YDVDXCBFQFKLQS-SFHVURJKSA-N 275.436 4.775 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)[C@@H](CC)C(C)C 2239562403 NBWYMXQCTWQQMY-ROUUACIJSA-N 291.866 4.742 30 10 CJEE CCCCCCCCCCNCc1cnc(OCC)s1 2239777111 BOCHFZGLKVDZPG-UHFFFAOYSA-N 298.496 4.772 30 10 CJEE CCCCCCCC[C@](C)(OCC1CC(C)C1)C(=O)O 2240617143 ATCBKSYSTAAOSL-DQPZFDDXSA-N 284.440 4.643 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1cc(Br)cc(C(C)C)c1 2247266218 YSKTXYGYHXAMIK-ABAIWWIYSA-N 296.252 4.785 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1cc(C)cc(Cl)c1 2250896755 HODVYIAEYZIPCF-AAEUAGOBSA-N 251.801 4.511 30 10 CJEE CCC(C)(C)[C@H](C)N(C)CCCCCCCS 2252649196 KIRBMBZLDQMOEE-AWEZNQCLSA-N 259.503 4.623 30 10 CJEE Cc1cc(NCc2cscc2Cl)cc(C)c1C#N 2254658180 VKODBWLCKLLKIK-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE N#Cc1c(Cl)cccc1SCC1(C(F)(F)F)CC1 2255165764 JXOUSINIUSVRTE-UHFFFAOYSA-N 291.725 4.646 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc(F)c(Cl)c1 2259231218 GJGZYWDDYDVSRJ-OAHLLOKOSA-N 270.775 4.823 30 10 CJEE C=C(C)CCCCC(=O)C1(CC(F)(F)F)CCC1 2259232862 GKSNABJXCDXXIB-UHFFFAOYSA-N 262.315 4.815 30 10 CJEE C=C(C)CCCC[C@@H](Cc1ccsc1)NCCC 2259233906 UTIHZQGOUNCWKB-INIZCTEOSA-N 265.466 4.795 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](CC)[C@H](C)O1 2263649203 OXRCVMYOVVUZTL-ARFHVFGLSA-N 255.446 4.630 30 10 CJEE CC1CC(CS)(CO[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 2265299146 HRZDBICXNGKRAB-LHJGCZIBSA-N 282.493 4.708 30 10 CJEE C=C1CC(CCCC[C@@H]2C[C@H]2C)(CNCC(C)C)C1 2265786528 ROJOPNSGLOPQMD-IAGOWNOFSA-N 263.469 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C=O)CCCCC12CC2 2268740489 CTQFYCIRRSLVLZ-GOSISDBHSA-N 258.405 4.522 30 10 CJEE C=C[C@H](C)C[C@H](CC=CC#CC(C)(C)C)NCCC 2268832753 ULEXJSZBEGPXKU-IRXDYDNUSA-N 261.453 4.563 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(COC)cs1 2271791325 LUGRPQBGWSWZJF-HNNXBMFYSA-N 281.465 4.682 30 10 CJEE CCCCCCCCCNCC1CC2(CC(F)C2)C1 2272187440 WTLFRCKXYIRONC-UHFFFAOYSA-N 269.448 4.855 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)[C@H](C)CC(C)C 2276147350 IEFFIVTXIGUNNC-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@](C)(CCCF)OCCCN 2276570582 VOVQXBHGKREGRY-INIZCTEOSA-N 275.452 4.611 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CCC1(C)C 2277137052 GUJHOMJYINQQFB-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCCCCCCC[C@@H](CC1CC1)OCCN 2277353335 MUQVNNJFBVDHLS-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(C(F)(F)F)s1 2277674536 OXMIJEYWJMMNAW-NSHDSACASA-N 289.366 4.611 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(CCC)NCC 2278317146 GDDVHZLESPXIDV-HOTGVXAUSA-N 284.513 4.608 30 10 CJEE CC(F)(F)c1cnc([C@@]2(C#N)CCCCC23CCC3)s1 2279194848 IPEMZJUPAQJFNW-HNNXBMFYSA-N 296.386 4.760 30 10 CJEE CCC[C@]1(C)CSC(=NCC[C@@H]2CCCCC23CC3)N1 2279726342 NXPZEKDMIFINSJ-GOEBONIOSA-N 294.508 4.598 30 10 CJEE C=C([C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)(C)C 2279734473 KDCSPAWIHGZYFH-IHRRRGAJSA-N 291.401 4.936 30 10 CJEE CC(=NO)c1ccc(OC[C@H](C)CC(C)(C)C)cc1C 2283257513 GYZQXIFFDRHYCG-GFCCVEGCSA-N 277.408 4.644 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1sccc1CC 2284090402 DYAKYULTICRZMM-INIZCTEOSA-N 289.488 4.957 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@@H]1C[C@H]1C1CCCCC1 2284143635 QYCLGMSKMSHSEM-KSZLIROESA-N 274.448 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cccc2ccsc12 2284161914 KCZFBXPGBKQVLA-MRXNPFEDSA-N 283.440 4.897 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@H](C)C(F)F 2284179267 XVWBILBPFZVFFO-LSDHHAIUSA-N 285.422 4.642 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@H]1CCCC(F)(F)CC1 2284179480 IIMMPLIQWIUMHK-GJZGRUSLSA-N 284.390 4.559 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1ccc(F)cc1C#N 2284876241 UUIKPABWNPUTNW-CQSZACIVSA-N 277.383 4.929 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@@]1(C=O)CCc2ccccc21 2284936202 OVQBJYUEMYRNIA-SUMDDJOVSA-N 270.416 4.676 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCCC12CCCCC2 2287379043 NMWYHMZYDIPLON-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1c(Cl)ncn1CC 2287466761 JFMMPCHVXNLNNN-AWEZNQCLSA-N 297.874 4.734 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)C[C@H]2CCC[C@H]21 2288417966 NKMGTZJWCSIBJS-NUJGCVRESA-N 279.468 4.604 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(C)cc1C 2289771933 CCZGLQPGZGPULF-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H](CC(C)C)C(C)C 2289872300 ZUNFDHXGXLVGSO-OALUTQOASA-N 277.496 4.867 30 10 CJEE CCCN[C@H]1C[C@H](CC#CC2CCCC2)CCC1(C)C 2289884553 XNOFRRPWXVOSGA-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(CCC(C)(C)C)OCCC(=O)O 2291133294 WRIHJJZITFQKPF-QGZVFWFLSA-N 284.440 4.665 30 10 CJEE C=CCCCCCCCC[C@@H](CC1CC1)OCC(=O)O 2291258927 BNMLATFRIYTKRC-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC1(OCC(=O)O)CCCC1 2291309158 YAVAKCSLVYEAQN-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=C(C)CC[C@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2292899618 RRARBLGUYIQDNM-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@H]1C1CC1 2293467804 XNZMOXFFNLPXRL-ZWKOTPCHSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCCC1(OCCN)C[C@H]2C[C@@H]2C1 2293504960 PCAFPEPZMCWCSI-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1C1CCC1 2293646871 FXQWQIRGLWYNAW-KURKYZTESA-N 281.484 4.517 30 10 CJEE CCCCOc1c(Cl)cc(C(C)C)cc1C#N 2295344372 QLHMCQYBSDXCFM-UHFFFAOYSA-N 251.757 4.514 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](C)[C@@H](N)[C@@H]1C 2295540318 FIZAFYWXOGPLHS-XLAORIBOSA-N 282.516 4.573 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@H]1[C@@H](C)[C@H]1C 2295597417 VFYMKNCENGXTHB-LHHMISFZSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ncc(CC)[nH]1 2295669678 XXNHARCWYAEZRH-HNNXBMFYSA-N 279.472 4.591 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCOC1(C)C 2295684502 MTHUYBDFNLOJLU-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCS[C@@H]1CCC(C)(C)[C@@](C#N)(NCC)C1 2295760499 CNYQOXJFOJNWOC-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)sc1CNC(C)C 2298951056 VISGAKMFHIKKRW-LLVKDONJSA-N 269.479 4.611 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)c(C)c1 2304046418 QFBFJDHOUCKPBE-HNNXBMFYSA-N 295.220 4.933 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC(C)(C)C(F)(F)F 2304052296 NEAJIHARJNDTKH-LBPRGKRZSA-N 250.304 4.527 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cscc1C(F)F 2304054000 ZYERVSLOAOIXRH-LLVKDONJSA-N 259.365 4.549 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSCc1ccccc1 2307231639 UWDVRNOBLLYWOY-HNNXBMFYSA-N 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C=CCCCCCCCCC[C@@H](N)c1coc(CC)n1 2207430249 SBZDCPKHNKWDLN-OAHLLOKOSA-N 278.440 4.934 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1c(C)nn(C)c1Cl 2207437037 MSMYOOPEBMFGLM-CQSZACIVSA-N 297.874 4.689 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(CC)CCNC1 2207437919 PVXGYLLPYYYBEW-GOSISDBHSA-N 279.468 4.642 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC1(C)CC1)NCCC 2207456041 IHOFCYOCCXQEGV-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC(C)(C)C(C)C)NC 2207460045 XWZNTUPFJSRYSR-IAGOWNOFSA-N 285.516 4.758 30 10 CJEE CCCN[C@@](C#N)(CSC[C@H](C)CC)C1CCCCC1 2208109836 CXGXFURGEWMNLM-WBVHZDCISA-N 296.524 4.608 30 10 CJEE FC(F)(F)Oc1ccc(SCCCCCS)cc1 2220378898 ZZAAALWGBQFLSZ-UHFFFAOYSA-N 296.379 4.777 30 10 CJEE CCCCCCCCN[C@@H]1CCC12CC(F)(F)C2 2223006144 XBFWQDWEEIWODZ-CYBMUJFWSA-N 259.384 4.514 30 10 CJEE CCCCCCCC[C@]1(C)C[C@]1(C=O)C(F)(F)F 2223833213 CMRQWTZRZAYASV-CHWSQXEVSA-N 264.331 4.895 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@@H]1NCC 2224329395 OTKBYERVJITFOL-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC#C[C@H](NCCC)C1CCC(CCCCC)CC1 2225437241 UEUGAGKVLTWBKO-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE C=C(CN(C)CCCCCC1CC1)c1ccccc1 2225711889 WTSUAWKRTPIEQR-UHFFFAOYSA-N 257.421 4.602 30 10 CJEE C=CC[C@H]1CCCCN(c2cc(Cl)c(N)cc2Cl)C1 2225906543 CQKZOIAIFYWHSG-NSHDSACASA-N 299.245 4.758 30 10 CJEE C#C[C@@H](CC(C)C)NCc1sc2ccccc2c1Cl 2226321709 ILRNQJDQVWTLQZ-LBPRGKRZSA-N 291.847 4.692 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(Cl)ccc1N 2227273299 QQZDNXSSHHNKPO-INIZCTEOSA-N 281.827 4.872 30 10 CJEE C=CCCCCCCC[C@@H](N)CCOCCC(C)C 2227284955 SNIXXPVERBORGM-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCC#CC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227508371 MUIHNUFVTSQHAM-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE CCCCCCCCCN[C@@H]1CCCc2ncsc21 2229761644 IXEHSNJYFJEXSE-CQSZACIVSA-N 280.481 4.861 30 10 CJEE CCCCCCCCCCCOCC(=O)C1(Cl)CC1 2231020571 BPXWRGWWCONKLK-UHFFFAOYSA-N 288.859 4.874 30 10 CJEE C=C(C)CCOc1c(Cl)cccc1CN[C@H](C)CC 2231568137 WXTSKMLASMZTNK-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc3ccoc23)CC1 2232400220 QZCBCMDPPAWNGI-MRXNPFEDSA-N 256.345 4.603 30 10 CJEE CC(C)(C)C#C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 2233923350 ZWADYEUGBXDZTO-CQSZACIVSA-N 288.774 4.683 30 10 CJEE C=CCCCCO[C@H]1CC2(CCCCCC2)CC[C@@H]1N 2234026593 LMYHCRREWANJKK-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE CCN[C@](C#N)(CCCSCCCCC1CC1)C(C)C 2235465697 RKTUJLZJDGDUKS-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1NCC 2235524694 SLZUSNCBIFPHEY-KSZLIROESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)c1csc(C)c1 2235531536 AASFCHUBDQQLSA-QGZVFWFLSA-N 294.460 4.750 30 10 CJEE C=CCCCCCCCN1CCCCC12CCOCC2 2235536571 WOBAPCTYMGDIFN-UHFFFAOYSA-N 279.468 4.548 30 10 CJEE C=CCCCCCCC[C@@H](O)CC[C@@H](CCC)CCN 2235536802 YAITVGGPGPKXNK-QZTJIDSGSA-N 283.500 4.809 30 10 CJEE C=CCCCCCCCN1CCC[C@H]1COC(C)(C)C 2235538043 GHSCBGUGWNHTPW-KRWDZBQOSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(COC)cc1 2235540157 UIHRJWULXYKDSO-GOSISDBHSA-N 275.436 4.750 30 10 CJEE N#CCc1cccc(NCCCCCCCC2CC2)c1 2239333483 NUCVCGROMZTFBP-UHFFFAOYSA-N 270.420 4.915 30 10 CJEE CCCCCCCCCO[C@H]1CCC(C)(C)[C@@H]1NCC 2239468477 QOFDDFAPGUVDRD-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOCCNCc1sccc1C 2239492568 LEHNGXQCDPFMCF-UHFFFAOYSA-N 297.508 4.913 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCC(C)(C)[C@@H](NCC)C1 2239497278 AJVMXQXRGXYNSA-IKGGRYGDSA-N 281.484 4.695 30 10 CJEE OC1(C#Cc2cccc(Cl)c2)CCCCCCCCC1 2239498233 IYJNLQQWEMPQFU-UHFFFAOYSA-N 290.834 4.947 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC[C@H](C)[C@H](NCCC)C1 2239502112 NUIVMXGBTUOJOA-BSDSXHPESA-N 281.484 4.695 30 10 CJEE Cc1cccc2c1CC[C@@H]2Nc1ccc(Cl)c(C#N)c1 2240171233 BNPUEHPRVQSEGP-KRWDZBQOSA-N 282.774 4.620 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccc(C2CCC2)cc1 2240356131 XHQGZPBIHRZNPH-LJQANCHMSA-N 269.432 4.928 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 2240648782 LYTJXWQMBDUSCC-QXDIGNSFSA-N 281.484 4.671 30 10 CJEE CCCCCCCCC[C@@](C)(C#N)NC(=O)OC(C)(C)C 2242456887 ZKLCUOFIGVRLOL-KRWDZBQOSA-N 296.455 4.934 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(Br)c(F)c1 2250024773 FFSSAOUBGPXHSU-UMNHJUIQSA-N 298.199 4.878 30 10 CJEE N#CC1(CSC[C@H]2CCCCC2(F)F)CCCC1 2256092109 JATFCVWMMCQEBG-GFCCVEGCSA-N 273.392 4.629 30 10 CJEE C=CCCCCCC[C@H](N)c1csc(C)c1OC 2259143579 DDMNXEPHAVSFOP-AWEZNQCLSA-N 267.438 4.592 30 10 CJEE C=C(C)CCCC[C@H](O)[C@]12CCCC[C@@H]1CCC2 2259196997 SAYIFFTVIUJBDS-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(CCF)CC1 2259237314 MEKCBRKJWVYGKK-OAHLLOKOSA-N 255.421 4.631 30 10 CJEE C=C[C@H](C)CCN(C)Cc1cc2ccccc2s1 2260385503 DTPXEFCMQGPSPD-ZDUSSCGKSA-N 259.418 4.545 30 10 CJEE C=CCCC[C@H](NCC)C1CC(CC(C)(C)C)C1 2261202595 MTYGXEFJMFOTDU-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1nccc2sccc12 2268942271 BEOXRIOMRQAVIV-GXTWGEPZSA-N 274.433 4.549 30 10 CJEE C=CCC[C@@](C)(O)c1cccc(-c2ccccc2)c1 2269827916 KWNYJLPFGOEMES-GOSISDBHSA-N 252.357 4.527 30 10 CJEE C=CCCCCCCCSc1cccc([C@H](C)N)n1 2271495320 ZOTULGPGVHIYNQ-AWEZNQCLSA-N 278.465 4.720 30 10 CJEE C=CCCCCCCCSc1cc(F)cc(CO)c1 2271595398 XZEMFTKABZJXHO-UHFFFAOYSA-N 282.424 4.937 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)[C@H](CC)CCC 2272067959 MRMIDZFGRYCTBW-IXDOHACOSA-N 271.489 4.642 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1ccc(C(C)(C)C)cc1 2273022593 WNWXQNXEDLSVBN-HUUCEWRRSA-N 259.437 4.847 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(Cl)c(C(F)(F)F)c1 2273032309 REQIRUYVXXHVJS-SNVBAGLBSA-N 291.744 4.661 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]12CCCC[C@@H]1CC2 2273338723 ZUGLYFGYAGYMLP-CRAIPNDOSA-N 258.405 4.522 30 10 CJEE C[C@](C#N)(C[C@@]12CCCC[C@H]1CC2)c1ccccc1 2273468565 ULLWLDNAKNNEDC-KSZLIROESA-N 253.389 4.828 30 10 CJEE C=C1C[C@@H]1C[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2274533769 ZZMVPHBIFISLAI-PMPSAXMXSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC)OCCC(=O)O 2275613534 UIYAFPDTGLNTSO-GJZGRUSLSA-N 272.429 4.643 30 10 CJEE C=CCCCC[C@](CC)(C[C@@H](C)CC)OCCCN 2276503235 JJGDWIYROSKKAA-DLBZAZTESA-N 269.473 4.683 30 10 CJEE C=C(C)COCCN[C@@H](C)CCCCCCCCC 2278247980 YUNZIIZNKTXMIC-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC1(C)CC(C)C1 2279480008 ZGEJBQRRTKRFEK-IKJBURDNSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CCCC[C@@H]1C[C@@H]1C 2280444186 NAZUHXWSWKXCFA-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1COC2(CCC2)C1 2284827538 GECYOUMCWUPCBP-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE C=C1C[C@@H]1COc1cc(C)c(Cl)cc1[C@H](C)NCCC 2286441087 BKLKIHGZGBBHIN-UONOGXRCSA-N 293.838 4.664 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cccc(F)c1)NCCC 2287414328 PATGNDQITLZCDW-SFHVURJKSA-N 277.427 4.873 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(OC)cc1C 2287468965 ATGSKPXBFWESEB-SFHVURJKSA-N 275.436 4.791 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(F)ccc1OC 2287469758 JUKKAIUSEOEYAF-MRXNPFEDSA-N 279.399 4.621 30 10 CJEE CC(C)CCC[C@H](C)CCNc1ccc(C#N)c(F)c1 2287920999 UAVRDJHYFQSZEK-AWEZNQCLSA-N 276.399 4.962 30 10 CJEE C=CC[C@]1(COCC[C@@H](C)CCCC(C)C)CCCN1 2287935528 XBSPCZPLTQWSJJ-ZWKOTPCHSA-N 281.484 4.554 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CCCCC12CC2 2289860429 VHDVEGPFXXUQIU-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1CC(C)(C)CCC1(C)C 2290326310 QHVNKRBMORFNEH-HNNXBMFYSA-N 270.420 4.884 30 10 CJEE C=CCCCCCC[C@H](CCCCC)OCCC(=O)O 2291287377 VUYSNWFBHMLLJI-INIZCTEOSA-N 284.440 4.953 30 10 CJEE CCCCCCCCC[C@](C)(OCCC(=O)O)C1CC1 2291710921 HBVKCDANVSMSNH-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCCCC[C@@H]1C 2292727717 OMSHIFUZZIQFJB-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCCN)c1sccc1OC 2293001566 ZESOPDAFCVMJQM-HNNXBMFYSA-N 299.480 4.524 30 10 CJEE CCCCCCCC[C@H](OCCN)c1cccc(F)c1 2293344622 FPRYRPIBQMYFBC-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)[C@@H]1[C@@H](C)[C@H]1C 2294251687 MNFGOSHQICTOHB-VSZNYVQBSA-N 283.500 4.763 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)C(C)(C)C(C)C 2295199677 QSZMBEOJKCDYMR-KRWDZBQOSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@]1(CN)CCC[C@@H]1C 2295590341 SHEVFOLWORUVCH-OKZBNKHCSA-N 283.500 4.643 30 10 CJEE C=CC[C@@H](C)Sc1c([C@@H](C)N)ccc(Cl)c1F 2298947804 JODFRQYDKKKOIR-RKDXNWHRSA-N 273.804 4.556 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(Cl)cc1CC 2304085973 KVEJMKOCMBEWBC-UHFFFAOYSA-N 250.769 4.687 30 10 CJEE C=CCC[C@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2307300563 XVRZFJKYRUFYRR-LBPRGKRZSA-N 276.182 4.749 30 10 CJEE CC(C)CC1CC(C#N)(c2ccccc2Br)C1 2308065007 CIFPGDFPQLCBCR-UHFFFAOYSA-N 292.220 4.667 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCC[C@H]1CF 2313288535 LZNBZUSZCAALBQ-OWCLPIDISA-N 257.437 4.853 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1N 2315459108 UEIUZFZIBJJUBP-ZANVPECISA-N 285.218 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1CCC)NCC 2321114893 BTIYIEOXYPGTCI-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1CC[C@H]1OC 2335074733 GKBSQRJXFJQOAE-GVDBMIGSSA-N 270.457 4.693 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccccc1Cl 2335096330 LVUSMFDKQZLFLE-INIZCTEOSA-N 295.879 4.855 30 10 CJEE CCCCCCC[C@@H](NN)c1c(F)ccc(C)c1Cl 2335427634 IQFWITDCBPHLGB-CYBMUJFWSA-N 286.822 4.652 30 10 CJEE C=C1CCC(C[C@H](N)c2c(F)ccc(C)c2Cl)CC1 2335578880 QJBDQSSQIMNYGB-AWEZNQCLSA-N 281.802 4.924 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1COCC1(C)C 2336148606 RCYLLXHOVVNKLE-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2338737745 GSSPTXDKTSVWEW-CYGHRXIMSA-N 261.453 4.559 30 10 CJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1scc(C)c1Cl 2339573134 STSHLTACWITJKK-STQMWFEESA-N 295.879 4.800 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2340265772 RKRMQAFXOKNTBJ-LBPRGKRZSA-N 299.867 4.644 30 10 CJEE CCCCCCCOc1ccc(C(C)=O)c(C)c1C 2340953113 PHQLDWZEUAWIIS-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NCC 2342285004 LAHIFFADPAJQQO-KSZLIROESA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COc1ccc(Cl)cc1C#N 2343133216 UBNRLDXANORHBO-RISCZKNCSA-N 277.795 4.663 30 10 CJEE C=CCC(C)(C)[C@H](CC12CCC(CC1)C2)NCCC 2344377895 FEHHFISZFGAVNK-PQUAAJSLSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(F)ccc(OC)c1Cl 2344385871 SABOPFNWVWFDRT-HNNXBMFYSA-N 284.758 4.663 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(C2CC2)cc1 2344410989 DHLNGJCKUBBTBO-SFHVURJKSA-N 256.389 4.668 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2344411187 FVPPNPXOAOKBSZ-BHPKHCPMSA-N 270.363 4.619 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)C[C@H](C)[C@H]1C 2351916607 ZESUBQVNZZTAIL-SQWLQELKSA-N 284.465 4.746 30 10 CJEE CSc1cc(Oc2ccc(F)c(Cl)c2)ccc1C#N 2353834082 KQZNNOAYXGPXFO-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE CCCCCCCCCOC[C@H]1C[C@@H]2CCCC[C@@H]2N1 2358959174 GTTDZRUZZGINNH-KSZLIROESA-N 281.484 4.674 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@H](NC)c1ccccc1F 2360200036 DXZORSRQRAJURR-GUYCJALGSA-N 293.451 4.729 30 10 CJEE C=CC[C@@H](C)SCc1cc([C@@H](C)NCC)ccc1OC 2360324998 UMDHSWQKLSMGNB-ZIAGYGMSSA-N 293.476 4.564 30 10 CJEE C=CCC(CC=C)Sc1ccnc(CNC(C)C)c1C 2360372868 AYKHXRGTFQXTJD-UHFFFAOYSA-N 290.476 4.501 30 10 CJEE N#Cc1cccc(-c2ccccc2OCc2ccccc2)c1 16946947 QGKWZLNSBHMUNH-UHFFFAOYSA-N 285.346 4.804 30 10 CJEE CC[C@@H](C)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37155983 HSYHAQAYACBFPY-MWQQHZPXSA-N 273.445 4.994 30 10 CJEE N#C[C@H](C(=O)CC1CCCC1)c1ccc(Cl)c(Cl)c1 50039033 XVMIRZODWAYRHB-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE CC(C)c1ccccc1OCC[C@@H](C#N)c1ccccc1 57684627 UFQLPOWNIKGFDB-KRWDZBQOSA-N 279.383 4.886 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2ccccc2C)c1 57686770 UKPVXJCPIPMKTR-QGZVFWFLSA-N 279.383 4.770 30 10 CJEE Cc1ccc(OCC[C@](C)(C#N)c2ccccc2)c(C)c1 57687625 ITNDGUJGDRPKFR-LJQANCHMSA-N 279.383 4.554 30 10 CJEE COc1ccc(C[C@@H](C#N)c2cccc3ccccc23)cc1 57754748 DEDHQAVTSFIMIJ-KRWDZBQOSA-N 287.362 4.698 30 10 CJEE CCCCCCC[C@H](NC)c1cc(OC)c(OC)cc1C 59384282 OHWLQCPOPHQRPO-INIZCTEOSA-N 293.451 4.633 30 10 CJEE CCCN[C@H](C)c1ccc(SCCCCC#N)cc1 79582753 HPZWALWDNLLZGC-CQSZACIVSA-N 276.449 4.533 30 10 CJEE CCCCCCCCCCC(=O)N1CCCCCC1 82116503 RIONGNNVXWRVPP-UHFFFAOYSA-N 267.457 4.920 30 10 CJEE CCOc1ccc(C)cc1C(=O)/C=C/c1ccc(C)cc1 83205194 PPHMRSHTEVHBNF-ZHACJKMWSA-N 280.367 4.598 30 10 CJEE CCCCCCC[C@@H]1CCO[C@@H](c2ccc(OC)cc2)O1 100293674 WTNCBDULDJDQII-QZTJIDSGSA-N 292.419 4.860 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCCC)c(OCCC)c1 107569900 SZFOFMPIXTXBFK-MRXNPFEDSA-N 288.431 4.856 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)ccc1OCC 110231936 MOXLCWLTSVCMDG-INIZCTEOSA-N 263.425 4.754 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)c2ccc(C#N)c(C(F)(F)F)c2)C1 110255262 RKGRICUMTRMXRA-DGCLKSJQSA-N 296.336 4.592 30 10 CJEE CCCCCC[C@@H](C)Nc1ccc(C#N)cc1Cl 110449743 IIEPWTRMEMEYGM-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCn1c(CC#N)nc2ccccc21 111237848 NBVFNPIKEOVCRB-UHFFFAOYSA-N 283.419 4.853 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(OC)c(OC)c1 112942102 KEULJZAGOCQYPI-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCCCCCCCC[C@@H](N)[C@](C)(CC)N(CC)CC 118156129 LBHRTYJFYGTDBC-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(OC)c1F)NC 123705204 NBHSMUXPTJGAGW-MRXNPFEDSA-N 295.442 4.715 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CCO[C@@H]1C 126029327 UCDWMBBECMKRHS-SJORKVTESA-N 269.473 4.804 30 10 CJEE N#Cc1ccc(CN[C@@H](CC2CCCC2)c2ccccc2)o1 128898920 XPEMXADABMBQGD-IBGZPJMESA-N 294.398 4.562 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H](CC)CCCC 130336051 RXQFIMWVFKDGNQ-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE C=C(CC)C[C@H](NCCC)c1sccc1Cl 131621437 RTOOWHRWXPKAQU-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE Cc1cc(NCC2(CC(C)C)CCCC2)c(C#N)c(C)n1 156593384 XYPYGCMTISZZLO-UHFFFAOYSA-N 285.435 4.589 30 10 CJEE CCCCCCCCC1(CNCC)C[C@@H]2C[C@@H]2C1 157411978 LIFACRIYOMBHJD-SJPCQFCGSA-N 251.458 4.763 30 10 CJEE CCCCCCCCC(=O)CCc1ccc(N)cc1 158050157 YOSPSUCTJQRWLU-UHFFFAOYSA-N 261.409 4.521 30 10 CJEE CCCCCCCCN[C@H]1CSCc2ccccc21 160865398 QHODVRGQHOREHY-KRWDZBQOSA-N 277.477 4.925 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H](OCC)C1CCCCC1 167728315 ITAPJGKYDYXXRP-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C[Si](C)(C)C#Cc1cccc(-c2ccccc2)c1 202968524 LHQFWIGRLZMKBM-UHFFFAOYSA-N 250.417 4.583 30 10 CJEE CCCCCCC[C@H](C)NCCCCOC(C)C 224962151 NNSHITQTRSYUGH-INIZCTEOSA-N 257.462 4.530 30 10 CJEE C=C(C)CCOc1nc(NCCC)c(Cl)cc1Cl 226633229 OHUQDQSFSDHEKN-UHFFFAOYSA-N 289.206 4.555 30 10 CJEE C=CCC[C@@H](C)N[C@H](CC)c1ccc(Br)cc1 228820253 VRDHJHXZZSOJBL-IUODEOHRSA-N 296.252 4.845 30 10 CJEE C[C@H]1C[C@@H](C)CN(CC2(CS)CCCCCC2)[C@@H]1C 229547289 MIQWKSVOOATUEU-OWCLPIDISA-N 283.525 4.623 30 10 CJEE O=C(Cc1ccc(Br)s1)C1=CCCCCC1 232487218 UOMVVIDYOHEMOJ-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CCCCCCCCCCNC(=O)c1cccc(S)c1 232940412 GBFNPIGCWUFXEQ-UHFFFAOYSA-N 293.476 4.846 30 10 CJEE CCCc1ccc(NCCCCC(C)(C)C#N)cc1 233403490 OTWBOYFSJFTCLN-UHFFFAOYSA-N 258.409 4.771 30 10 CJEE CC1=C(Cl)C(=O)C(C(C)C)=CC1=Nc1ccc(C)cc1 245265710 HFOGLNNCSKNXNQ-UHFFFAOYSA-N 287.790 4.745 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 249909364 YFNVWHJDYMZBFT-XYJFISCASA-N 290.495 4.996 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)c1ccccc1 251494436 DKGMNDHIVPXVME-YOEHRIQHSA-N 298.817 4.640 30 10 CJEE C=CCCCCCCNCCc1ccc(Cl)cc1 308447826 ACBWFEMSRKTMLB-UHFFFAOYSA-N 265.828 4.609 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(CCC)CC1 311501960 FIWMYELIEWCDLH-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 311614888 KHVXUIKJJMSFSI-LBPRGKRZSA-N 271.326 4.712 30 10 CJEE C[C@H](CNc1ccc(Cl)c(C#N)c1)C1CCCCC1 312045550 UUHDGBGGJAJWHN-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE CCCC1CCC(C=O)(CCSC(C)C)CC1 317634343 WXPKSCGIUMGNPJ-UHFFFAOYSA-N 256.455 4.694 30 10 CJEE CCN(CC(C)(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 383858702 SFVODNYZFJYXSG-BZUAXINKSA-N 278.484 4.709 30 10 CJEE C[C@@H](CC(C)(C)C)Nc1cccc(OCCCC#N)c1 384661611 WDIGZUMBFPVCSD-AWEZNQCLSA-N 274.408 4.606 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(OCC(C)C)cc1 384878086 SVMXWPUORLMUTD-HNNXBMFYSA-N 275.436 4.584 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ncc(Cl)cc2Cl)C1 384984332 OBUORMFJLSSDKO-YGRLFVJLSA-N 283.202 4.750 30 10 CJEE C=CCC(C)(C)COc1ccc(C(C)=O)c(Cl)c1 385939995 GCBSUSGUJNWWMI-UHFFFAOYSA-N 266.768 4.524 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)c(F)c1 394952533 IYNPDUWAJSSJBZ-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCC[C@@H]1CCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 396919947 QGQAZCDNCOWWFJ-YYIAUSFCSA-N 276.468 4.605 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(F)c1C 398830493 LJNPBAFBESTCOQ-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(C)C[C@H]1F 399743976 MNQOYKBUBNKYIA-OWCLPIDISA-N 257.437 4.853 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1nccc2ccccc12 401678620 UMYJSLRIVHEASE-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC 402129737 FJZLRVUYKXPDHH-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=C(C)CN(C)C(=O)Nc1ccc(Cl)cc1C(C)C 626831788 LHDLNCQPNRARPR-UHFFFAOYSA-N 280.799 4.503 30 10 CJEE C#CCCCCC[C@H](NC)C(CC)(CC)C(F)(F)F 686696705 BYFWLSLWYRMAPV-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE C#CCCCCC[C@@H](NC)c1scc(C)c1Cl 686697260 KKIUXOSGHWRGOH-GFCCVEGCSA-N 269.841 4.554 30 10 CJEE N#Cc1c(Cl)cccc1N1CCC[C@H]1C1CCCCC1 688792830 GVYFLFVYPUVAQU-INIZCTEOSA-N 288.822 4.761 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H]1OCC 690008527 UVLDVDVGXRESBA-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)s1 692254024 LNSGQYPYQLWGLE-ZNMIVQPWSA-N 263.450 4.842 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1CCCN1C 700193216 MOTMXFLIDZRKHD-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)CCCC2CCC2)C1 701520807 DSMRGJGLPVHHAG-KZNAEPCWSA-N 276.468 4.607 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2cnccc2c1 702764597 FENQEHLBRIZUTG-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@H](c1ccccc1)C(F)(F)F 703975360 VXWJOQWTHMQGTK-CQSZACIVSA-N 285.353 4.872 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CC[C@H]2CCC[C@H]21 708043901 YJKQBTWLZOGYGH-BRWVUGGUSA-N 295.536 4.767 30 10 CJEE CCCCCCCCN[C@H](C)[C@@]12CCCC[C@@H]1C2 709166127 OBVAHINZMQXPDA-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C=C(Cl)Cc1cc(C(F)(F)F)ccc1Cl 710690859 WPTQXVMTYCBKJT-UHFFFAOYSA-N 255.066 4.654 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1C[C@H]1C1CC1)NC 714805905 CAYGRTYIESBBIE-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1 715714613 LOGYBJBAGYTUNX-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1csc2ccccc12 715758353 MTHBBRWVAPCTGN-BLLLJJGKSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(C)c1Cl 715773337 YQNGWBGZAVMWMY-BBRMVZONSA-N 265.828 4.901 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(F)c(Cl)c1 715801693 ZEYUIIZOMUIQAQ-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C=CCCC(C)(C)NCc1ccc2ccccc2c1 717910768 LJEJDVHTDXPNHM-UHFFFAOYSA-N 253.389 4.674 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(C)c(C)s2)CC1 724547509 PSTCQSKAMSVLSI-CQSZACIVSA-N 250.407 4.535 30 10 CJEE C(#Cc1ccccc1)CSC1=Nc2ccccc2CS1 790257457 KRKBPICKRHZMTA-UHFFFAOYSA-N 295.432 4.706 30 10 CJEE C=C(C)CCSCc1ccc(SC(=O)N(C)C)cc1 795367628 FMIPAZANQNNEAE-UHFFFAOYSA-N 295.473 4.660 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 1128322292 WHZYJUNTAZHRBM-BPQIPLTHSA-N 286.415 4.777 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccccc1OCCC(C)C 1130223761 WBFJZWZBLHXFCR-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1C[C@@H]1c1ccccc1 1182573652 ASYRMDFLMOSBOJ-QXAKKESOSA-N 271.448 4.905 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H](C)CCc1ccccc1 1206264203 VHVNLTYOORRNAW-WIYYLYMNSA-N 293.454 4.785 30 10 CJEE C=C1CCC(CN[C@@H](C)Cc2coc3ccccc23)CC1 1207492770 JXYPKFQPUYNWMI-HNNXBMFYSA-N 283.415 4.700 30 10 CJEE C=C(C)CN(CC)C(=O)CCCc1ccc2ccccc2c1 1264340120 HYWRDLRGEYJMJZ-UHFFFAOYSA-N 295.426 4.587 30 10 CJEE C=CCN(C(=O)/C(C)=C\C1CCC(C)CC1)c1ccccc1 1264357506 QYMKYNNBGOPYKH-ICFOKQHNSA-N 297.442 4.978 30 10 CJEE C#CC[C@@H]1CCN(C(=O)[C@](C)(CCC)CCCCCC)C1 1280468271 QVWYELWTUANVIC-IEBWSBKVSA-N 291.479 4.635 30 10 CJEE C=CCN(C(=O)C(CC(C)C)CC(C)C)c1ccccc1 1353745937 DYYYMGQWIQCJRM-UHFFFAOYSA-N 287.447 4.914 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2ccc(C)s2)CCCCC1 1356346862 YQZQGUWOXOPKQB-AWEZNQCLSA-N 291.460 4.760 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)CC)cc1 1439846702 NQZANFRLMGGQKX-GOSISDBHSA-N 299.458 4.945 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 1439928858 AXNVDXWEGSKIEK-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CCCCCN(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 1459532326 MKJTWHMASLGRFC-QZTJIDSGSA-N 293.495 4.793 30 10 CJEE C=CC[C@H]1N(C(=O)c2sccc2CC)CCCC1(C)C 1459681140 KNRDXBRCRGOULL-CQSZACIVSA-N 291.460 4.517 30 10 CJEE C=C(CC)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 1471709570 RQEZISXJEUUQEM-UHFFFAOYSA-N 271.385 4.628 30 10 CJEE C=CCCCCN1CCSC[C@H]1c1ccc(Cl)cc1 1473159386 JBKSHJJYDNSLTM-INIZCTEOSA-N 295.879 4.786 30 10 CJEE C=CCCc1ccccc1NC/C=C\c1ccccc1 1474123897 NAAFLPXHOBWFHK-XFXZXTDPSA-N 263.384 4.931 30 10 CJEE C=CCC[C@@H](C(=O)NCC1(CC(C)C)CC1)c1ccccc1 1517489581 UYKKVDFXLZSBGO-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)ccc1SC 1518720029 VRPMRMTUNDZBBZ-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=CCN(Cc1cccs1)C(=O)c1ccccc1CCC 1522906305 QYUWHTITEIMCNL-UHFFFAOYSA-N 299.439 4.529 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc2[nH]ccc12 1524262759 UOYHJNGSKYJHIC-UHFFFAOYSA-N 298.430 4.814 30 10 CJEE C=CCC1(C(=O)O[C@@H](CC)c2ccncc2)CCCCC1 1525013137 LWKLFOZZRKUCLN-INIZCTEOSA-N 287.403 4.603 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC1CCC(CCCC)CC1 1528187355 TUZPQULUYRDKKV-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(CCCC)cc1 1529882267 YSRPRVULNRILCW-UHFFFAOYSA-N 273.420 4.504 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2ccn(CCC)c2c1 1539043495 NQVBIRYRNMLOTE-CQSZACIVSA-N 284.403 4.592 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)Cc1ccccc1Cl 1560997286 PRYVNDKAAXUMII-AWEZNQCLSA-N 279.855 4.853 30 10 CJEE C=C[C@@H](CC(=O)O[C@H](C)c1ccccc1F)c1ccccc1 1584091632 AVWAQDFENJDJSO-CABCVRRESA-N 298.357 4.790 30 10 CJEE C=C(C)CCSc1nc(-c2ccccc2)ccc1C#N 1613548641 WADBRCUENLAAFY-UHFFFAOYSA-N 280.396 4.679 30 10 CJEE C=C[C@H](OC(=O)C=C1CCC(C)CC1)c1ccccc1 1617547738 BGZUWJUTSCJPLR-JRZJBTRGSA-N 270.372 4.593 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cccc(C(F)F)c1 1623008782 OZYNMMAPDVFJED-UHFFFAOYSA-N 296.361 4.738 30 10 CJEE C#CCCCCCCN1CC(C)(C)c2ccc(F)cc21 1646578029 PYRQMCDCPMXWRJ-UHFFFAOYSA-N 273.395 4.507 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(C#N)ccc1OCC 1652158279 BHNGQQFCUACFPT-AWEZNQCLSA-N 272.392 4.504 30 10 CJEE C#CC[C@H](NC[C@H]1CCCCC1(C)C)c1ccccc1 1653096412 MAWONSZVNSNWHR-MSOLQXFVSA-N 269.432 4.557 30 10 CJEE C=CCCN(OCc1ccccc1)[C@@H]1CCc2ccccc21 1653340152 UZAVWWFRYWASAM-HXUWFJFHSA-N 293.410 4.684 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@H](C)Cc1ccccc1 1654300475 HXYMMXPYPDCGKD-GOSISDBHSA-N 279.427 4.696 30 10 CJEE C=CCCCN1CCC[C@]1(C)Cc1ccc(F)c(Cl)c1 1654532215 KOVAPUULKGCUEQ-QGZVFWFLSA-N 295.829 4.842 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2CCC(C(C)C)CC2)C1 1655841924 RVFOBDYGMOIPOU-AQEOSJORSA-N 263.469 4.783 30 10 CJEE C=CCC[C@@H](CCC)NCc1cccc(CSC)c1 1664368722 FBVOSFRZNPSWEQ-QGZVFWFLSA-N 277.477 4.774 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1664775898 GWQWXMRKQONNQI-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C#C[C@H](NCc1cccc(CCC)c1)c1ccc(Cl)cc1 1664896967 SSLMADFKNILHSN-IBGZPJMESA-N 297.829 4.757 30 10 CJEE C=CCN(C(=O)C=C(C)C)C1CCC(C(C)(C)C)CC1 1860017729 QWIUNUFLASKCEZ-UHFFFAOYSA-N 277.452 4.572 30 10 CJEE CCCCCCCCn1cc(OCC(C)C)c(=O)cc1C 1870093029 OLWANJHZBDGYSM-UHFFFAOYSA-N 293.451 4.552 30 10 CJEE CC(C)C1(CNc2cc(Cl)c(C#N)cc2F)CCC1 1876764466 QBGQRLSJNXFINX-UHFFFAOYSA-N 280.774 4.589 30 10 CJEE CCCC[C@H](CC)N(C)c1cc(CC)ccc1C#N 1879294107 DMMJEGJBXCCPQZ-INIZCTEOSA-N 258.409 4.526 30 10 CJEE Cc1ccc(Cl)cc1N=C1N[C@]2(CC[C@H](C)C2)CS1 1880884251 AOYLXBJCBZSYRN-BONVTDFDSA-N 294.851 4.531 30 10 CJEE C=CCN(Cc1ccccc1)[C@H]1CCC[C@@H](CC)C1 1881293304 LNLOSSIAYBPBAQ-AEFFLSMTSA-N 257.421 4.643 30 10 CJEE CCCCCCCCN(C)C[C@H]1C[C@H]2C=C[C@H]1CC2 1883331058 ZUTOKGUKLDNPHU-OKZBNKHCSA-N 263.469 4.881 30 10 CJEE CC#CCCCC[C@]1(CNCC(C)C)CCC1(C)C 1885238104 RYMYTKIQFRJHJB-GOSISDBHSA-N 263.469 4.622 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CC12CCCCC2 1885238445 WCNVRSMRGMZYKU-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C#CC[C@H](C[C@@](C)(O)c1cccc(Cl)c1Cl)C1CC1 1887098035 JBIUUYCXZXLQJK-MLGOLLRUSA-N 297.225 4.641 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@@](C=O)(CC)C(C)C 1888324255 KAIVJVOCAQWQRE-PKOBYXMFSA-N 289.463 4.538 30 10 CJEE C=C(c1ccccc1)[C@@]1(N)CCC[C@@H](C(C)C)CC1 1888712962 YZSJQEHBQZLPCN-SJLPKXTDSA-N 257.421 4.634 30 10 CJEE CC1(C)C[C@](C#N)(Cc2cc(Cl)cc(Cl)c2)CCO1 1893175502 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C=C(C)CCCC[C@@H](OCCCN)c1ccccc1C 2292804881 SGVWVPVLROYMPY-GOSISDBHSA-N 275.436 4.538 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCC[C@@H](C)CC1 2294016040 SPIDMVIMCVLRAK-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C#Cc1ccc2c(ccn2CCCCC[C@H]2C[C@@H]2C)c1 2295205174 PKJOPRRSFONINT-RDJZCZTQSA-N 265.400 4.839 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)[C@@H]1C[C@@H]1C 2295677686 VHWDLFMDSMEDBE-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE Cc1cc(OC=CC(=O)c2ccc(F)cc2)ccc1Cl 2297535692 ODWACLOJKWUGOR-UHFFFAOYSA-N 290.721 4.563 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(F)c(Cl)c(Cl)c1 2307300665 YNRROUNEINYYOX-GFCCVEGCSA-N 276.182 4.735 30 10 CJEE C=CCCCCCC[C@@]1(O)CC[C@@]2(C(C)C)C[C@H]21 2312084806 XCXNGDZAJRCXTE-IXDOHACOSA-N 250.426 4.700 30 10 CJEE C#CCCCCCC(=O)c1ccc(F)c(C)c1Cl 2316599270 OJLGGOQRLSTTFE-UHFFFAOYSA-N 266.743 4.554 30 10 CJEE C#CCCCCCCNC(CC(C)C)CC(C)C 2316786424 LDVZSQUNIXDELE-UHFFFAOYSA-N 251.458 4.621 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(Cl)c(C)c1)NCCC 2319291956 YXVLDSZSKKTRAJ-HNNXBMFYSA-N 265.828 4.525 30 10 CJEE CC(C)(C)[C@H](CS)COCC1CCCCCCC1 2319942944 ADGYKBDGDYIVFO-HNNXBMFYSA-N 272.498 4.956 30 10 CJEE C=CC[C@](C)(CC)C(=O)O[C@@H](C)CCC=C(C)C 2321134605 PJOJPCVJXUQCKQ-HOCLYGCPSA-N 252.398 4.657 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@H](C)C1)NCC 2321144976 LZRSVNGVVCAAKC-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CC[C@@H](OCC2(CS)CC(C)(C)C2)C[C@H]1C 2321711741 UGFJCVWJWPZRJJ-MGPQQGTHSA-N 270.482 4.564 30 10 CJEE CCc1cccc(OC[C@@](C)(CS)C(C)(C)C)c1 2327099790 LCYNQOASUOFEFK-INIZCTEOSA-N 266.450 4.610 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(F)c(Cl)c(Cl)c1 2327376443 SNDFTUDAKPVNBU-CYBMUJFWSA-N 290.209 4.995 30 10 CJEE CCCC#C[C@@H](NCCC)c1c(F)ccc(C)c1Cl 2335575326 VPMWNIPTGCESGW-CQSZACIVSA-N 281.802 4.632 30 10 CJEE C=CCCCCC[C@H](O)c1c(F)cc(OC)cc1Cl 2338724848 LJZOPWRIUYDJOT-AWEZNQCLSA-N 286.774 4.658 30 10 CJEE CCC(CC)(CS)CN(C)CCc1ccccc1Cl 2338834736 AQQPDAPTXPPERU-UHFFFAOYSA-N 299.911 4.551 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1ccc(F)c(C)c1Cl 2339123379 AOCVGYIKTRHOMP-CQSZACIVSA-N 281.802 4.718 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC2(CCCC2)C1)NC 2344348750 NEMISRRJTJYQBQ-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(C)cc1Cl)NC 2344348931 OTUDXHZIOMOKLY-IAGOWNOFSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)cccc1OC 2344349369 SGHWNUOWLCJZOL-HOTGVXAUSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CCC(F)CC1)NCCC 2344372680 URHINTAYTOPGKP-UYSNPLJNSA-N 269.448 4.875 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1cccc(Cl)c1C)NCCC 2344382285 PBYRUKOXRFCCAK-CXAGYDPISA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccccc1CCC 2344395965 LJUADLVCHRXGFG-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)c(C)cc1OC 2344419515 HBLBFPIIUXPRLH-MRXNPFEDSA-N 280.795 4.832 30 10 CJEE CC1(C)CC[C@H](CC[C@](C)(C=O)c2ccccc2)C1 2344887307 ZCJKHRIVXRKYLX-CRAIPNDOSA-N 258.405 4.750 30 10 CJEE CSc1cc(N[C@H](C)C2CCCCC2)ccc1C#N 2353822223 KENLQINAJBRDJK-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CSc1cc(NCCCSC(C)(C)C)ccc1C#N 2353824354 BYHAPTLWGCGPMR-UHFFFAOYSA-N 294.489 4.614 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C1CCC1 2357674148 JAIUKYIZIPPTSS-RCCFBDPRSA-N 280.500 4.785 30 10 CJEE C=CCOc1ccc(CNc2cccc(Cl)c2F)cc1 20472108 TUXYXMPUUNRTGT-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C[C@H](Nc1cccc(OCCCC#N)c1)C1CCCCC1 37777442 HQGYOCRXDARNFI-HNNXBMFYSA-N 286.419 4.750 30 10 CJEE CCCN[C@H](CC)c1ccc(-c2ccc(C#N)s2)cc1 50267017 QNNWWOREPGTRCM-MRXNPFEDSA-N 284.428 4.737 30 10 CJEE N#C[C@@H](Cc1ccc(F)cc1)c1c(Cl)cccc1Cl 57734939 KJVWPKLNNOOHAJ-LLVKDONJSA-N 294.156 4.982 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Cc2cccc(Cl)c2)c1 57736423 JSDIAPVGOCXKIP-OAHLLOKOSA-N 269.775 4.807 30 10 CJEE N#Cc1cc(Oc2cc(Cl)c(Cl)cc2Cl)ccn1 61815274 NQSDTSLWBMJMPB-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C=CCC[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 71276612 PJAIKAXHUUSDDQ-KRWDZBQOSA-N 273.464 4.698 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@@H](C#N)c2ccccc2)C1 80800918 VVYKAHFXPIFFJG-FVQBIDKESA-N 259.418 4.606 30 10 CJEE N#CC1(c2ccc(F)cc2Cl)CC2(CCCC2)C1 86523268 QDVOJDFMPUAROY-UHFFFAOYSA-N 263.743 4.595 30 10 CJEE CC(C)(C)[C@H](CS)CSc1ccc(F)cc1 87096104 CMJHHAQGMTVYKI-SNVBAGLBSA-N 258.427 4.510 30 10 CJEE C[C@@H]1CCC[C@@H](SCC2(CS)CCCC2)C1 87097997 KYYUSFBDGKYASL-CHWSQXEVSA-N 258.496 4.789 30 10 CJEE CC[C@@H](C)c1ccccc1OCCCC(C)(C)C#N 87608926 ZVNPHYXKSLSELO-CQSZACIVSA-N 259.393 4.909 30 10 CJEE CCCC1CCC(O)([C@]2(C#N)CCC[C@H](CC)C2)CC1 91875826 DSMADANJJQWMET-PBHCIXSXSA-N 277.452 4.818 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@H](CC)C2)CC1 91885933 LFDSVVWFRKKHMN-BFWZDYSYSA-N 277.452 4.818 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)CC1 91903493 ZPHTUKNJVUULSX-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE C[C@H]1CCC[C@@H](C)N1CC1(CS)CCCCCC1 94578272 VSGYLFDYBZCGMT-GASCZTMLSA-N 269.498 4.520 30 10 CJEE Cc1ccc(C(C)C)c(OC[C@H](CS)C(C)C)c1 94582762 OJQMVYLBDFXAHY-CQSZACIVSA-N 266.450 4.699 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2cc(C)ccc2o1 97283979 RVRHWBSERHYUAC-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1CCC(F)(F)CC1 97284103 PKSCVCHEKCFTMR-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@@H](NC(C)C)c1nccs1 104444723 FDQXLMRLUVGSPJ-CYBMUJFWSA-N 254.443 4.543 30 10 CJEE Cc1cccc(N/C=C\C(=O)c2ccc(Cl)cc2)c1C 104732510 VOHXYIUVXZPRNZ-KHPPLWFESA-N 285.774 4.765 30 10 CJEE CCC#CC[C@H](C)c1cc(Cl)c(OC)c(Cl)c1 107536858 VJINQJXCHGMQRU-JTQLQIEISA-N 271.187 4.909 30 10 CJEE C=CC[C@@H](CC)c1ccc(Br)c(C)c1 107608988 LXTWLBAPBFGEDT-LLVKDONJSA-N 253.183 4.827 30 10 CJEE CCCCCCC[C@H](CC(F)(F)F)NCCC 107686734 BUAFMIZWHKRUEO-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCOc1cccc2c1CC[C@@H]2NC 110100932 NJGMNZLHRCTROW-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCN(CC)[C@]1(CN)CCC[C@H](C)C1 110106830 RHNZAXZTXAOGSM-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CCCCCCCCCOc1cccc2c1CC/C2=N\O 110323524 JICYNFMZTYABOP-HTXNQAPBSA-N 289.419 4.941 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCC[C@@H]2O 110369682 FOXDQIXSKSWAII-SFHVURJKSA-N 276.420 4.796 30 10 CJEE N#Cc1ccc(NC[C@@H]2CCCc3ccccc32)cc1Cl 111341546 HYNHFNYMTUPJDU-HNNXBMFYSA-N 296.801 4.744 30 10 CJEE CCCCCCCCCCN1C[C@@H](N)Cc2ccccc21 112211453 CNWYWTPUQCNBES-SFHVURJKSA-N 288.479 4.517 30 10 CJEE CCCCCCCCCN1C[C@@](C)(C2CC2)NCC1(C)C 115248015 MXCWWWMSXDWGCO-IBGZPJMESA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](O)C1Cc2ccccc2C1 115842693 ZJPVUSWUYUVISP-IBGZPJMESA-N 274.448 4.903 30 10 CJEE CCCCCCCCC[C@H](O)c1cncn1C(C)C 116817839 ULHBKKHWQYSXCC-INIZCTEOSA-N 266.429 4.638 30 10 CJEE C=CC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 122539463 PTECTXKMPJWSAD-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1coc2ccccc12 123060627 UILMNHZOWWRBBE-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC(C)C)C1CCCC1 129631486 SYGYEFWSFOAAQR-IBGZPJMESA-N 296.543 4.965 30 10 CJEE CC1(C)CC(N[C@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 130885497 RCTNQTDBCDJLDN-HOCLYGCPSA-N 276.468 4.653 30 10 CJEE C=C(Cl)COc1ccc([C@@H](C)NCCC)cc1Cl 132543746 YOBRAOXPFCOOHW-LLVKDONJSA-N 288.218 4.532 30 10 CJEE CSc1cccc(Nc2ccc(Cl)cc2F)c1C#N 136639003 QFYJXPZJOHBFIS-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCSc1cccc(N[C@@H]2C[C@H]2c2ccccc2)c1C#N 136652548 IBMRIMYNLWLNAT-WMLDXEAASA-N 294.423 4.638 30 10 CJEE CCCCCCCCC[C@@H](CCCOCC)NCC 139420834 PDYYKVWAQXRQFH-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CC(C)CC(O)(CC(C)C)C1(C#N)CCC(C)(C)CC1 165725058 GAKOVLFZOMMHTK-UHFFFAOYSA-N 279.468 4.920 30 10 CJEE C#Cc1cccc(NCc2ccc(C(C)(C)C)s2)c1 165841534 OEVJQFAVJYGTKN-UHFFFAOYSA-N 269.413 4.639 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166294279 VIVGUPDIRXYOAU-VMGRFDJRSA-N 291.460 4.799 30 10 CJEE CC1(C)OB(C2=C(c3ccccc3)CCCC2)OC1(C)C 195896008 MUIKZTUXJAVHEE-UHFFFAOYSA-N 284.208 4.646 30 10 CJEE CCCCCCCCCOc1cccc2c1CC/C2=N/O 215135362 JICYNFMZTYABOP-ZPHPHTNESA-N 289.419 4.941 30 10 CJEE CCCCCCCCCC(=O)C(F)(F)C(F)(F)F 215697912 MTUARLUNITVZES-UHFFFAOYSA-N 274.273 4.894 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCC[C@H]1N 226486537 QYTUEWWFBWGXFT-IAGOWNOFSA-N 281.484 4.994 30 10 CJEE N#CC1(C[C@@H]2CCC3(CCCC3)O2)CCCCCC1 229466243 OUTBYUIZGVXHCZ-HNNXBMFYSA-N 261.409 4.732 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(C)c1 229737902 IIFXCHFGBWVNDM-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC 229782730 TWCKVAPSBJQRBX-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)CC(C)(C)OC 230983570 QTQXSDIMQWMPNJ-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE C=CCCCCC[C@H](CSC1CCCC1)NCC 233602209 NVDKMPSRYOHQTD-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@@H](O)c1scc(C)c1Cl 235796559 ZLOTWODABWLWJK-LLVKDONJSA-N 258.814 4.880 30 10 CJEE Cc1ccc(C#N)c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 251011929 HQEQPUPSALUZTL-UWWQBHOKSA-N 271.404 4.706 30 10 CJEE CCCC[C@]1(C)CN(C[C@H](C)C#N)c2cc(C)c(C)cc2N1 251266247 CJQYLEFPAKHUDW-AUUYWEPGSA-N 299.462 4.644 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1[C@H]2CCC[C@H]21 252895093 AANWTCQKMKJXHT-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE CCOC(=O)c1ccc(N=Cc2ccc(C(C)C)cc2)cc1 254822872 YUVFLNRRSKHPJB-UHFFFAOYSA-N 295.382 4.737 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCCCC1(F)F 316789480 NQEQOGOEBNAHLE-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(C)c(C)c2)C1 316931418 YHHQMYAUMLAYQP-FUHWJXTLSA-N 258.405 4.631 30 10 CJEE O=C[C@@]1(C[C@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 316938100 GSZYMLNIYFOJMZ-RUENVJTFSA-N 268.400 4.502 30 10 CJEE C=C[C@H](C)C1(CNC(C)(C)C)CCC(CC)CC1 317974550 LUISFAKLBKWJPI-UQPPLGOBSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N/CC(C)(C)C(C)(C)C)N2)C1 380315150 LSBSALKSIHWSIY-CXAGYDPISA-N 296.524 4.700 30 10 CJEE CC(C)Cc1ccc([C@@]2(C)CC[C@@](C)(CC#N)O2)cc1 380575535 UZSWZOQGSCUEHM-ZWKOTPCHSA-N 271.404 4.583 30 10 CJEE CC(C)C1CCC(c2nc(CCS)cs2)CC1 383862550 CWCSJCJNIUZOAN-UHFFFAOYSA-N 269.479 4.545 30 10 CJEE C=CC(C)(C)CN[C@H](CC)c1ccc(Br)cc1 385041167 NVXHMCTZYCRNOB-CQSZACIVSA-N 296.252 4.702 30 10 CJEE CCCCCCCCCCNC[C@](C)(OC)C1CC1 388885500 DYPBFXBSGPUAKC-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC1([C@H](C#N)Nc2ccc(Cl)cc2)CCCCC1 394729538 PQJDOLMZRYZHLP-AWEZNQCLSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 398104988 VEHRTRDQCDIEBN-LLVKDONJSA-N 282.309 4.734 30 10 CJEE CCCCCCCCCCN=c1nc2ccsc2c[nH]1 400622239 LDLIPIVXBLGQFA-UHFFFAOYSA-N 291.464 4.666 30 10 CJEE CCCCCCC[C@@H](CCc1c(F)cccc1F)NC 402148710 DPFSJCFZKQJHJI-AWEZNQCLSA-N 283.406 4.846 30 10 CJEE CC[C@@H](COc1ccc(C#N)cc1Cl)CC(F)(F)F 402296869 MTQSBZLSPQPNQQ-SECBINFHSA-N 291.700 4.569 30 10 CJEE CCCCCCCCCC[C@@H]1[C@@H](NCC)CO[C@@H]1C 405828935 RZSBMHKBZOSYFJ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](CC(C)C)c1cccs1 464441221 SYSNZKYNKFJKFQ-ZIAGYGMSSA-N 279.449 4.554 30 10 CJEE C=CC1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 487527138 CFBMCPBWVLWENU-AATRIKPKSA-N 297.442 4.638 30 10 CJEE C[C@H](NCC[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F 512625546 OVPAVBUMTGSEJD-CABCVRRESA-N 296.389 4.542 30 10 CJEE C#CCCCCC[C@@H](O)c1cc2cscc2s1 686674768 UUERUVPLRHSSIX-GFCCVEGCSA-N 264.415 4.580 30 10 CJEE C#CCCCCCNc1cc(C(F)(F)F)ccc1Cl 686681882 DRACBDUJNQBJOC-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE C#CCCCCCC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 686709245 QZRRNMNKHQDQTE-QWHCGFSZSA-N 274.326 4.508 30 10 CJEE C[C@H]1CCC[C@](C=O)(CC(C)(C)c2ccccc2)C1 686736283 DJXIJEKRAQOWDJ-MAUKXSAKSA-N 258.405 4.750 30 10 CJEE CCCCCCC[C@@H](O)C[C@H](CC)CC(F)F 687933938 OEDJJRQVNMMYPF-QWHCGFSZSA-N 250.373 4.779 30 10 CJEE N#C[C@@]1(CCCC2CCC2)CCc2ccccc2C1 688866865 BQOFVUQXDRZFIQ-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CC(C)OCCCC1(C=O)CC(C)(C)CC(C)(C)C1 689477928 MSPBEIYDDZELQD-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE CC(C)(C#N)CCCNc1cccc(SC(F)F)c1 690216709 KNZWVXLPKRUUMF-UHFFFAOYSA-N 284.375 4.743 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OC)c1C 691098408 HRWCLKGTJKACNY-INIZCTEOSA-N 263.425 4.625 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CCOC1(C)C 693114395 ZOHZGCGBQPNKLZ-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CN(C[C@H](CS)C(C)(C)C)[C@@H]1CCC12CCCCC2 694231739 ZANZZUGJPFKUGB-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@]1(C(C)C)CCNC1 702998769 VYAZYDSAEIVYGI-MSOLQXFVSA-N 283.500 4.514 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)ccc1C#N 703982520 MLVLGJLSCYRJPH-UHFFFAOYSA-N 262.784 4.616 30 10 CJEE CCCCCCCC[C@@]1(N)Cc2ccccc2[C@@H]1C 704426478 OACPLKRSBZWOTR-MAUKXSAKSA-N 259.437 4.794 30 10 CJEE N#C[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 708028823 LSMXZIDZKPJHGN-FATJJJSSSA-N 279.305 4.749 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCCC1(F)F)NCC 714004641 ZVRGHPBWESTLOZ-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)cc1 715008752 GAACTOFCSONFGG-IUODEOHRSA-N 251.801 4.593 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Br)cc1C 715722869 COLCMTGNFSQJNY-XHDPSFHLSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H]1CCCCC1(C)C 715759282 PECLVRNZDPODPM-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)C 715796872 QISXKXQVSNCEFI-FJIDUMEYSA-N 265.485 4.885 30 10 CJEE C=C(CC)C[C@H](NCC)c1cscc1C(F)(F)F 717207608 CLCPQPSNHDKLKP-LBPRGKRZSA-N 277.355 4.774 30 10 CJEE CCCN[C@](C#N)(CC)CCCSCC(C)(C)C(C)C 718870791 VOJPKAWOHFQWIR-QGZVFWFLSA-N 298.540 4.854 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc(Cl)c2F)CC1 724541963 GWUMZLPSOZOEGG-CQSZACIVSA-N 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C[C@@H](CC(C)(C)C)C[C@]1(C#N)CCOC12CCCC2 2133786528 OOVXAXUCMGSQHT-HOCLYGCPSA-N 263.425 4.692 30 10 CJEE CC(F)(F)C1(C[C@]2(C=O)CCCC(F)(F)C2)CCC1 2134777606 GJWVJBABDQJBBR-GFCCVEGCSA-N 280.305 4.597 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](CC)O1 2136710294 WCLRUYXOTDOUNJ-IKGGRYGDSA-N 270.457 4.836 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@H](CC)O2)CC1 2136733667 XLDGASSUJUBFQY-YZUHTNEWSA-N 266.425 4.510 30 10 CJEE CCCCCC#CC[C@H](NCC)c1csc(C)c1C 2138984865 ORXUKPWUZDICOO-KRWDZBQOSA-N 277.477 4.989 30 10 CJEE CCCC#CC[C@@H](NCCC)c1c(Cl)cncc1Cl 2139006966 ANNXABTVPLFRCN-CQSZACIVSA-N 299.245 4.623 30 10 CJEE C=C1CCC(C[C@H](CC2CC(CC)C2)NCC)CC1 2140881303 HYYLYAHANAOYSJ-VMWRSERWSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@@H](NC)C12CCC(F)(CC1)C2 2141904756 DZSRZXRCWUSDRN-KLAILNCOSA-N 267.432 4.773 30 10 CJEE C=CCCCCCC[C@@H](CC[C@H](C)OC)NCCC 2141904915 GQDBFNFJOHFELA-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CCCC[C@H]21 2141914492 RVNJKZRKTYIBSW-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCN(C)Cc1occc1C 2142394949 SCOYWOZOWLWMAK-UHFFFAOYSA-N 263.425 4.937 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C(F)(F)C12CCC2 2142439653 BTHXZYFISYXOGX-HNNXBMFYSA-N 271.395 4.810 30 10 CJEE CCCCCCC[C@H](NN)c1nc(C)c(C(C)(C)C)s1 2143751740 QQACOPPRUZKZTA-ZDUSSCGKSA-N 297.512 4.614 30 10 CJEE CCCN[C@H](CC#CC1CC1)c1cccc2ccsc12 2146383015 CQYYVBBVEUOGTE-QGZVFWFLSA-N 283.440 4.746 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)C[C@@H]2CCC[C@H]21 2147280290 PCMNONMFVQCGNZ-JZXOWHBKSA-N 280.452 4.637 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@H](C)CCC)NCCC 2147491616 PZKKREKCFPPSKF-KURKYZTESA-N 285.516 4.902 30 10 CJEE C=C([C@H](NCCC)[C@@]12CCCC[C@H]1CCC2)C(F)(F)F 2149075469 SEHLTWQZZSEZRA-SOUVJXGZSA-N 289.385 4.834 30 10 CJEE CCC[C@]1(C)CSC(=NC[C@@]23CCCC[C@H]2CCC3)N1 2149144090 SHQMWYFUFKVULR-UAGQMJEPSA-N 294.508 4.598 30 10 CJEE CC1(C)CCC(CC#CC2CCCCC2)(C(=O)O)CC1 2149858695 SBOGGWVYGDHAOD-UHFFFAOYSA-N 276.420 4.631 30 10 CJEE C=C([C@H](NCCC)c1ccc(OCC)cc1)C(C)(C)C 2152941565 HNBLJHINNHHZAZ-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@]23CCC[C@@H](CO2)C3)CC1 2157112940 KKHYEGUEZBLZTA-NXHRZFHOSA-N 275.436 4.836 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H]2CCOC3(CCC3)C2)CC1 2157116904 IUULWOKEPRYOFJ-WBVHZDCISA-N 275.436 4.836 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)C1(OC)CCC(C)(C)CC1 2158319988 HZNJCKKUUQDKDO-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@H](N)[C@@](C)(O)C1CCC(C)(C)CC1 2158485769 WVMXRYSPRYBKPZ-WMZOPIPTSA-N 283.500 4.642 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCN(C(C)C)C1 2158636415 NQZMPSDSXYWSQY-SFHVURJKSA-N 283.500 4.753 30 10 CJEE CC[C@]1(C)CSC(=N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)N1 2159437536 QVKGHAQZYICDOM-CKEIUWERSA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@H](NC)[C@H](O)C1CCC(CC)CC1 2168433410 SCISALISXBXGGR-ZGUYJTEBSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)CC2CCCCCC2)C1 2168540135 KXUQCXVSOHOYPP-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@]2(O)CCCCC23CCC3)C1 2168552541 LQLIXAXCEKJHDL-MSOLQXFVSA-N 275.436 4.572 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCCCCCCC2)C1 2168887353 FKNSWHJRGDALFC-NUJGCVRESA-N 276.468 4.750 30 10 CJEE C#Cc1ccccc1CNc1ccccc1SC(C)C 2170208452 JXTVYTADQJHLLM-UHFFFAOYSA-N 281.424 4.781 30 10 CJEE N#C[C@@]1(CCN2CCCCCC2)CCCCC12CCC2 2173615682 NSWVRMCWACBFCO-SFHVURJKSA-N 274.452 4.507 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@](C)(N)CC(F)(F)F 2175094620 DOVFYJVCPFPJGY-ZIAGYGMSSA-N 297.405 4.548 30 10 CJEE Cc1ccc(C#N)c(NCC2(C)CCC3(CC2)CC3)c1 2176596860 KJUPJRWZDQXMDU-UHFFFAOYSA-N 268.404 4.639 30 10 CJEE CC[C@]1(C)CCCN(c2cc(Cl)c(C#N)cc2F)CC1 2177389248 FEGAYDQEXJCVIF-MRXNPFEDSA-N 294.801 4.757 30 10 CJEE CCC1(C)CC(CN(C)c2cc(Cl)c(C#N)cc2F)C1 2177389819 HKGDAGOHRGROER-UHFFFAOYSA-N 294.801 4.613 30 10 CJEE CCCCCCC[C@H](CC1Cc2ccccc2C1)NC 2178393044 NJQQXKSIVDVPKY-LJQANCHMSA-N 273.464 4.740 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@H]1C[C@H]1c1ccccc1 2179679656 HRANQCAEKAZMNM-OTWHNJEPSA-N 271.448 4.905 30 10 CJEE Cc1ccc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)nc1C 2181662878 OUXUGDKEIVNWRV-HNNXBMFYSA-N 271.404 4.654 30 10 CJEE Cc1ccc(CC(=O)C2=CC[C@H](C(C)(C)C)CC2)cc1 2181673689 PNIUVZNCOFBIQY-KRWDZBQOSA-N 270.416 4.879 30 10 CJEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1F 2184451153 AVMWIDZNDKASNG-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC(C)(C)c1ncc(C[C@]2(C#N)CCCC(F)(F)C2)s1 2184849807 GUOHMOZETGUILS-CQSZACIVSA-N 298.402 4.702 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)c1ccccc1C(C)C 2187476162 IUHWLGSEAIGFIU-SFHVURJKSA-N 287.523 4.732 30 10 CJEE C=CCOc1ccccc1[C@H](N)CC(C(C)C)C(C)C 2189305576 XBWAZNXVBHEJHO-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE C=CC1(CNCc2nc(C(C)(C)C)cs2)CCCCC1 2189515465 VGXLCZWHKGJBJQ-UHFFFAOYSA-N 292.492 4.667 30 10 CJEE CC[C@](C=O)(CN(CCC(C)C)C1CCCC1)C(C)C 2190482195 NUKFCKVPNOSQNI-GOSISDBHSA-N 281.484 4.528 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)C1 2190990607 CCRMOYOFARADPU-JKJDWNRSSA-N 274.448 4.700 30 10 CJEE C#C[C@H](c1ccccc1)N(C)[C@@H](C)C1(C)CCCCC1 2195476641 RUCXFXDGYHFGRV-FUHWJXTLSA-N 269.432 4.652 30 10 CJEE CCCCCCCCCN(C)C1C[C@@H](C)N(C)[C@H](C)C1 2195538441 CNUTYZIPVJITAG-IAGOWNOFSA-N 282.516 4.540 30 10 CJEE CCCCCCCCCCN(C)[C@@H](C)c1cnn(C)c1 2195681555 HZTHLJPXYLHQHU-INIZCTEOSA-N 279.472 4.554 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1COC(C)(C)C1 2195682728 SIMFTMDXODYYJA-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@@H](C)C1CCC1 2196576394 YFMYOYKUFDALIB-WBVHZDCISA-N 282.468 4.883 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H](C)C1CCCCC1 2197141185 ZWHBLSANTZTWRH-VQIMIIECSA-N 271.448 4.894 30 10 CJEE Cc1cc(C)cc([C@@H](C)Nc2ccc(C)c(C#N)c2)c1 2199331573 CLYRHZBUWHWPLT-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CCCCCCC[C@H](NN)[C@H]1C[C@@H]1C1CCCCCC1 2200117512 VXNIECWHMDEZBN-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@H]2C2CCOCC2)C1 2200485810 BFIZWKCLMOURCR-LAVFITLUSA-N 275.436 4.549 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc(F)c(F)cc1Cl 2203792204 OYRHTOYXTXNEBW-INIZCTEOSA-N 299.792 4.853 30 10 CJEE CCCCCC#CC[C@@H](NC)C1(C)CCC2(CC2)CC1 2203793476 VMPVAYJKADHNMN-QGZVFWFLSA-N 275.480 4.909 30 10 CJEE C#C[C@@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C1CCCCC1 2203802071 UQBSZVXRBMBSBU-JCHJZTRSSA-N 275.480 4.619 30 10 CJEE C=CCCCCCC[C@@]1(CNC)CCc2ccccc21 2206893426 AAEFCOJVFAHLJO-IBGZPJMESA-N 271.448 4.617 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@](C)(O)CCC(C)C 2206897654 CKFBISDVTSXQAJ-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@@]1(N)c2ccccc2CC1(C)C 2206901303 BABBXDOEYKQWDP-LJQANCHMSA-N 271.448 4.950 30 10 CJEE C=C(COCCC)[C@@H](CC[C@@H](C)CCCC)NCCC 2207008206 JPEXDYKQTBTZIO-FUHWJXTLSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1C 2207406262 WGEHWSWJLKSPJI-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](NN)C1CCC(C)CC1 2207433896 AZLQAOLLTKIWAD-ABHNRTSZSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@](N)(CC)c1ccccn1 2207437319 NUPVSAIXJGKUND-GOSISDBHSA-N 274.452 4.952 30 10 CJEE C=CCCCCCCCC[C@H](N)C1(O)CC(CCC)C1 2207440985 ZHWKJGGTUAETOT-ADKAHSJRSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)c1cc(C)c(C)s1 2207454773 XZYMCZIUPVCJCW-DOTOQJQBSA-N 297.508 4.737 30 10 CJEE CCCCCCCC[C@@H](C#N)Nc1cccc(OC)c1 2207469167 MAGFNSBVTQWCMJ-INIZCTEOSA-N 274.408 4.750 30 10 CJEE C=CCCCCCCC[C@H](O)C1(SC)CCC1 2214613148 KRFLGTJYLDAFBS-AWEZNQCLSA-N 256.455 4.550 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(Cl)cc1Cl 2218436521 YYQLYKSEKBYYQD-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CC#N 2218624171 LJKUPCPFXXELGA-INIZCTEOSA-N 250.430 4.505 30 10 CJEE C=CCCCCCCC[C@@H](N)C1CCC(F)CC1 2220084587 TVIYIMBTIJKVLU-UYSNPLJNSA-N 255.421 4.759 30 10 CJEE C=CCCCCCCCNC1(C)C(C)(C)C1(C)C 2220085464 BUTIAOHNALJAOH-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCC(F)(F)C1 2220087736 SEITVXKDXJBZML-CQSZACIVSA-N 259.384 4.810 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@@H]2CC[C@@H]2C1 2220096304 DUUJLIVOKRNHEG-LTIDMASMSA-N 250.426 4.700 30 10 CJEE CCC[C@](C)(C=O)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2222943111 ORRDNGFJXQZWSU-QZWWFDLISA-N 250.426 4.988 30 10 CJEE CCCCCCCCCCCOCC(=O)CCC 2223234813 PBMYYJARWSTPGD-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE C=CC[C@H](CNC1CCC1)CC(C(C)C)C(C)C 2223597749 OHGVAOXUNOPNRY-HNNXBMFYSA-N 251.458 4.639 30 10 CJEE C[C@H]1CC[C@](C#N)(CCC2CC(OC(C)(C)C)C2)C1 2224732516 QRXIQZMEYCKIOM-GIOUXUJVSA-N 263.425 4.690 30 10 CJEE C=CC[C@H](CNC1CC1)CC1C[C@H]2CCC[C@H](C1)C2 2225340895 RFULZCMWCMLYFH-JYJNAYRXSA-N 261.453 4.537 30 10 CJEE FC1(F)[C@H]2CCC[C@H]1CC(CCCCC[C@@H]1CO1)C2 2225344727 RBNLBLDZNVCOSE-SOUVJXGZSA-N 272.379 4.797 30 10 CJEE CC#CCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225669391 WVWUUDCUXBDIPJ-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE C=CCCCCCCCCOc1nc(F)ncc1Cl 2225688514 MEZGUXQVQLTFQC-UHFFFAOYSA-N 286.778 4.565 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cccc(N)c1C 2227265326 JHDOYAASRBOVOQ-QGZVFWFLSA-N 261.409 4.527 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](OC)C(C)(C)C 2227270678 GKIJFLKRDRSZOD-CVEARBPZSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCC[C@@]1(CNC2CC2)CCCS1 2227271480 AQUVTAXMDQGFGX-KRWDZBQOSA-N 281.509 4.921 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1[C@H]2CCCC[C@H]21 2227283124 XWAACGJCMCPWQD-PIIMJCKOSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1C(F)F 2227289822 BSRIICYPZJQEBF-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CC12CC(F)(F)C2 2227291929 WCNTUJHXFQVCRK-ZDUSSCGKSA-N 270.363 4.908 30 10 CJEE C=CCCCCCCCN(C)[C@@H](C)c1ccccn1 2227292122 XHSCUVYMZPFYSE-INIZCTEOSA-N 260.425 4.601 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@@H]2C1 2227525821 QWVJOOJXNMOZBJ-BCDXTJNWSA-N 263.469 4.881 30 10 CJEE C#CC[C@H](C[C@@](C)(N)c1cc(Cl)cc(Cl)c1)C1CC1 2229575579 SPEBCLNCZCZIQG-MLGOLLRUSA-N 296.241 4.607 30 10 CJEE C=CC1(CN(C)[C@H]2CCC[C@@H](C(C)(C)C)C2)CCC1 2229817423 QUWRPCXVWKUKMQ-CVEARBPZSA-N 263.469 4.879 30 10 CJEE C=CC[C@@H]1CCCN1C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230645792 YKEPWNIQPQGMPX-ZJPYXAASSA-N 261.453 4.633 30 10 CJEE CCCCCCCCCO[C@H]1C[C@H](O)C1(CC)CC 2230983096 LJDPOSCPPTZQRK-HOTGVXAUSA-N 270.457 4.693 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNC(C)C)CC(C)C 2231009460 SMJUIMCOQHURMA-DLBZAZTESA-N 269.473 4.551 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(N)cs1 2231015626 QXJJLDKYIXKVHP-UHFFFAOYSA-N 283.437 4.628 30 10 CJEE CCCCCCCCCCO[C@H](CC(C)C)C(=O)O 2231035121 XBGZAZULNNWJOC-OAHLLOKOSA-N 272.429 4.643 30 10 CJEE C=C[C@H](CCCCC)Oc1cccc(Cl)c1[N+](=O)[O-] 2231035319 MGPDQUGDLFFUCK-LLVKDONJSA-N 283.755 4.762 30 10 CJEE CCCCCCCCCCCO[C@@H](CN)CC(C)C 2231076306 MHODWZMPPKXRPR-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H](N)[C@H]1C 2231079936 NVHRMRUAFYKSCE-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCOC(=O)c1ccnc(Cl)c1 2231082689 LOXNDLLSFZDOPC-UHFFFAOYSA-N 283.799 4.642 30 10 CJEE C=CCCCCCC[C@H](O)c1ccc(C)c(F)c1F 2231116631 AMWRNZSVERBWHK-AWEZNQCLSA-N 268.347 4.833 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(F)c(Cl)c1 2231483436 LODBINJUGUEDRZ-TZMCWYRMSA-N 283.818 4.602 30 10 CJEE C#CCCCCC[C@H](Cc1ccc(F)c(Cl)c1)NCC 2233408589 FADHITAKDLBPNK-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE C=CCCCCCCCCO[C@@H]1C[C@H](O)C[C@@H](CC)C1 2234051634 RBTVWHKFGTWDNR-KURKYZTESA-N 282.468 4.859 30 10 CJEE CCN[C@](C#N)(CSCCCCC1CC1)C[C@H](C)CC 2235469699 ITHXMRIZDJHCQO-NVXWUHKLSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCCN1CC[C@H](CCC)CCC1=O 2235536316 UWBFTDBUSYKIMZ-QGZVFWFLSA-N 279.468 4.942 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCCc2ncsc21 2238122284 JCZSQHBWCCPUTD-MRXNPFEDSA-N 292.492 4.979 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCCC12CCCCC2 2239126781 BTCNTKQVOXPMDZ-KRWDZBQOSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCCOc1cccc([C@H](C)O)n1 2239480922 GRUJVUSZBHPTLH-HNNXBMFYSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCCCCOCCO[C@@H](C)C#N 2239492001 GULFRWFHAQJPLK-KRWDZBQOSA-N 283.456 4.853 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)C(=O)c1ccc(F)cc1 2239499900 MSFHOSQNRBVFBQ-CZUORRHYSA-N 278.367 4.548 30 10 CJEE Cc1ccc(C#CC(=O)C2(C)CCCCCCC2)cc1 2239730912 BLKBGJMRUAXOFC-UHFFFAOYSA-N 268.400 4.666 30 10 CJEE CCC[C@H](C)C(=O)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 2240164165 GXTPLBTVQPXDLH-BBRMVZONSA-N 271.404 4.597 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC(C)(C)C[C@H]1C 2240562677 NUVXWIIVUJXNAI-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CC[C@@H]1C[C@H]1CC 2240642546 OFHAIQKAVNEHKI-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](CC)[C@@H]1CCCOC1 2240646468 AQLQAGKVEYNNHM-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)c1cnn(C)c1C 2240651046 VBXYMIIJYDUKOS-HUUCEWRRSA-N 279.472 4.518 30 10 CJEE CCCCCCCCC[C@H](NC)c1c(Cl)c(C)nn1C 2240891785 FHUQZVWDOVRBBB-AWEZNQCLSA-N 299.890 4.783 30 10 CJEE FC1(F)CCCC[C@H]1CSC[C@@H](CS)C1CC1 2248092998 SODJRVGNJKASHZ-NEPJUHHUSA-N 280.449 4.501 30 10 CJEE CC#CCCC[C@H](O)c1cc(Cl)c(Cl)cc1C 2249728435 VJWGBYPLAWRACV-AWEZNQCLSA-N 271.187 4.529 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(C)cc1Cl 2250131307 JDKZSYLWAQANIC-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE CCC=CC(=O)c1cc(Br)cc(C(C)(C)C)c1 2250873245 WFMUBNVDYZVOIP-UHFFFAOYSA-N 295.220 4.896 30 10 CJEE CC1(CSc2cc(Cl)c(F)cc2C#N)CCC1 2251759170 KPRQFKUWDCQXAF-UHFFFAOYSA-N 269.772 4.633 30 10 CJEE CCCCCCCCCC(=O)O[C@H]1C=CCCC1 2257875685 ZIQLZEKZIPHUEE-HNNXBMFYSA-N 252.398 4.779 30 10 CJEE CCCCCCCC[C@@H](O)CCCCCCOC 2259252486 GMECSNWSMSPWDP-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE COC1CC(C#N)(CC[C@@H](C)CCCC(C)C)C1 2259622038 RBZSZRIDXVBGSA-FHERZECASA-N 251.414 4.548 30 10 CJEE C[C@H]1CCC[C@]1(C=O)CC1CC(CC(C)(C)C)C1 2261133074 QXIJOZLEIMDPAE-PBMMVSLJSA-N 250.426 4.844 30 10 CJEE C=C(C)C[C@@H](NCCC)C1CC(CC(C)(C)C)C1 2261198640 PSRQXGUDZHGJDD-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCCC12CC2)NN 2264895801 BKMNKYGGHWEFGD-CVEARBPZSA-N 266.473 4.539 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(O)cc1C 2267800759 VQIQVIOCOBLJAC-QGZVFWFLSA-N 261.409 4.617 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)CC=CC#CC(C)(C)C)C1 2268738435 JNSNHXUPSIDLAR-BRWVUGGUSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CCn1ccc2cccc(Cl)c21 2268759845 WZFXQWPIJPRGIK-UHFFFAOYSA-N 271.791 4.900 30 10 CJEE C#CC[C@H](C[C@H](N)c1cc(Cl)c(Cl)cc1C)C1CC1 2270965735 QWIKBYCGUJPMDN-WBMJQRKESA-N 296.241 4.741 30 10 CJEE C=CCCCS[C@@H]1[C@H](NCC)C[C@@H]2CCCCC[C@H]21 2271490290 VBBNKVJTTQEBFT-HZMVEIRTSA-N 281.509 4.633 30 10 CJEE C=CCCCCCCCSc1ccc([C@H](C)N)cn1 2271500487 AYUJCHOWYXSITA-AWEZNQCLSA-N 278.465 4.720 30 10 CJEE CCC(CC)(CS)CN(C)C[C@@]12CCCC[C@@H]1CC2 2273397320 AZXJMNWOQKVAKX-WBVHZDCISA-N 283.525 4.625 30 10 CJEE N#Cc1ccc(F)c(CSCC23CCC(CC2)C3)c1 2274348566 PRWXRJZSVIJGQQ-UHFFFAOYSA-N 275.392 4.511 30 10 CJEE C=CC1(C[C@@H]2[C@H](NC)C(C)(C)CCC2(C)C)CCC1 2274529340 LJXXDYQBBDNGTM-CABCVRRESA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1ccsc1C 2274957383 LLKSBLSKCHTDGF-AWEZNQCLSA-N 284.421 4.559 30 10 CJEE C=C(C)CC[C@](C)(CCCCCC)OCCC(=O)O 2275323999 XPUXKGBFFRCSDC-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@@](CC)(CCCC)OCCCN 2276141875 SQUYQCYJFCBRFT-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCCCCCC1(OCCCN)CCC1 2276985481 BYKYUYGVBVAMDO-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCC#C[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277667931 YSSXLXWMPRTOCG-LLVKDONJSA-N 289.366 4.529 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1csc(C)c1C 2279095087 FMBGKKBIWYRREP-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 2279632000 GHFIBOSLULUQRA-RBSFLKMASA-N 290.369 4.853 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC[C@@H]2CCCCC23CC3)C1 2279736393 KKMPSTJTHFGBAW-BBWFWOEESA-N 275.436 4.836 30 10 CJEE CC(C)Sc1ccccc1Nc1c(F)cccc1C#N 2280443467 VSEIFSWQJWWWLP-UHFFFAOYSA-N 286.375 4.941 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cccc(OC)c1Cl 2283296613 CFTZWCAGLPOMOV-OAHLLOKOSA-N 293.838 4.583 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(CNC2CC2)CCC1(C)C 2284075041 GVCNAXKSKDNTFK-IBGZPJMESA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@@H]1CCCC(F)(F)CC1 2284179479 IIMMPLIQWIUMHK-CABCVRRESA-N 284.390 4.559 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1NCC 2287076094 GSRWDIUQAPCNFB-OLMNPRSZSA-N 289.488 4.912 30 10 CJEE C=CCCCCCCCSCc1ccc(C(=N)N)cc1 2287090253 PGWMNUFCBNSYFZ-UHFFFAOYSA-N 290.476 4.730 30 10 CJEE C=C(C)CCCC[C@](C)(CNC1CC1)c1ccccc1 2287373943 ZXJUILTYYSZAOL-LJQANCHMSA-N 271.448 4.833 30 10 CJEE C=C[C@](C)(CC[C@@H](C)CCCC(C)C)CNCCOC 2287982526 MVZSRJOVSZITFL-ZWKOTPCHSA-N 283.500 4.657 30 10 CJEE N[C@H](C#CC1CCCCC1)c1cc2cc(F)ccc2s1 2289685164 RIHJYZQLBBFVAF-OAHLLOKOSA-N 287.403 4.624 30 10 CJEE C=CCCCCCC[C@H](CCC(C)C)OCCC(=O)O 2291282357 BUAGBSVQYVSWFK-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CCC[C@H]1C 2292650346 QPLIVADKZHMSOV-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(Cl)C[C@H](OCCCN)c1ccccc1C(C)(C)C 2292882712 QHBBXMGVRJYGSS-INIZCTEOSA-N 295.854 4.533 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC12CCC2)OCCN 2293043117 BFTGPTQMTYOKJO-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)c1ccoc1 2293196558 XFDFABUEHGMAAX-QGZVFWFLSA-N 281.440 4.827 30 10 CJEE C=CCCCCCCC1(OCCN)C[C@@H](C)C[C@H](C)C1 2293599805 KKYINDNSMAGRGI-IRXDYDNUSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](OCCN)(c1cccs1)C(C)C 2293671466 AEQMOGRUYGWTNE-KRWDZBQOSA-N 297.508 4.935 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)ccc1C 2293673169 NNQTWLUBEQXSDM-SFHVURJKSA-N 277.452 4.680 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1CC12CCCC2 2293681581 APKJVWDDTLGTMG-DLBZAZTESA-N 281.484 4.661 30 10 CJEE Cc1ccc([C@H]2CCCCN2CCCCCCCS)o1 2294777796 USYJZYIOMWPREF-MRXNPFEDSA-N 295.492 4.995 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C=C1CCC1)NC 2295683352 ALCGFKBWQCJMBD-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCS[C@@H]1CC(C)(C)C[C@](C#N)(NCC)C1 2295763161 FQVJKTBRUOULIJ-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE Cc1cccc(NC=CC(=O)c2ccc(C(C)C)cc2)c1 2296875905 LAFPXBFQCWZKBX-UHFFFAOYSA-N 279.383 4.927 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(Br)cc1CC 2304041974 RURLZTJYFKGWFB-CQSZACIVSA-N 296.252 4.614 30 10 CJEE C=C1CC(C[C@H](N)c2c(Cl)cc(C)cc2Cl)C1 2307610834 BJIAOLMQRBWWJK-ZDUSSCGKSA-N 270.203 4.658 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCCCC[C@@H]1N 2313526469 HWIOHGWVCUWDHZ-JKSUJKDBSA-N 267.482 4.681 30 10 CJEE CC1=CC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2C)CC1 2316721724 KSEWFSYUJKIVCN-GFCCVEGCSA-N 283.198 4.770 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 2316734204 ONICMOKNQRIYIY-JYJNAYRXSA-N 250.426 4.578 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C 2320100355 CHHZDUJPWMDQLY-VGWMRTNUSA-N 251.458 4.639 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C#N)CCC(F)(F)C2)CC1 2320331726 SBSWTBLDBUJMKJ-ZIAGYGMSSA-N 253.336 4.842 30 10 CJEE C=CCC(C)(C)[C@H](CCC1CCCCC1)NCC 2321098871 NCWYQMIZUOINEK-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCC[C@@H](C)C1)NCCC 2321142681 YHGXLXYNTLHGHY-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]1C1CCCC1 2321219192 GMZMAOMMJKAFDF-LUKYLMHMSA-N 250.426 4.556 30 10 CJEE CC1(C)CC(CS)(CSc2cc(F)cc(F)c2)C1 2321754498 DSQRWAUHIRXECY-UHFFFAOYSA-N 288.428 4.793 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@]1(Cl)CC12CCC2 2326819046 DOILVXYXIBPFCV-ZBFHGGJFSA-N 271.876 4.877 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332408792 OJIYXZFCWQWLTC-DISONHOPSA-N 263.469 4.713 30 10 CJEE C=C(C)CC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2332722798 AMJPENCOABMRIH-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)cc1 2335104286 YPRYRMXMNRCHQI-CZUORRHYSA-N 281.440 4.564 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCC2)CC[C@H]1NCCC 2335188199 PCOPCIRZBKQEAJ-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@](C)(CC)C(F)F)CCC1 2336605204 INMHKZCDPKOQRI-UKRRQHHQSA-N 273.411 4.782 30 10 CJEE C=C[C@H](C)CNC(C1CCCCC1)C1CCCCC1 2338280077 WUSPBJNCSRZWKP-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@]12CCCC[C@H]1CCC2 2338743285 DJVGOZFHDQDJSM-OKZBNKHCSA-N 261.453 4.703 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)cc1C)NCCC 2344350097 YUSFVYUQXHGQKS-DYVFJYSZSA-N 279.855 4.771 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 2344477888 YACMKOVCCHOZQU-JHJVBQTASA-N 278.358 4.708 30 10 CJEE CCCCCCCCCOCC(=O)C1CC2(CC2)C1 2344826490 QWROLSYULQKQLM-UHFFFAOYSA-N 266.425 4.513 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@@H](C)[C@@H]1C 2352215675 WAUJCDCEJQBLSQ-DVOMOZLQSA-N 282.449 4.520 30 10 CJEE C#CCCCCCCCOc1cc(C)c(N)cc1Cl 2353125382 ZFBCVLRTRNPMLY-UHFFFAOYSA-N 279.811 4.583 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2357694633 YDPXIHHTPYGBKK-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@H]1OC[C@@H]2CCCC[C@@H]21 2358518486 PWRDKSPCEYOPEK-LISAXSMJSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NN 2359297363 RAKRUCFKDJWBNJ-XMTFNYHQSA-N 280.500 4.785 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NC 2360180156 SXLSMRXLBCDZCR-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(CC)cc1 3184308 IHNBTLFQFUYVIQ-UHFFFAOYSA-N 261.409 4.938 30 10 CJEE CCc1ccc([C@@H](CC)Nc2ccc(C#N)cc2)cc1 37223825 CMGZZUOCBLIFKJ-GOSISDBHSA-N 264.372 4.684 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1ccc(Cl)cc1 57685176 QDVIIWGHNDPZQC-INIZCTEOSA-N 299.801 4.979 30 10 CJEE CC[C@@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 61892173 SOJOSGWGLNZWEJ-DFBGVHRSSA-N 297.229 4.726 30 10 CJEE N#Cc1ccc(NCCCc2cccc3ccccc23)cc1 76289146 NAKWBBDDYYYTQQ-UHFFFAOYSA-N 286.378 4.756 30 10 CJEE N#CC1(c2ccccc2F)CC2(CCCCCC2)C1 86543322 WRGZVKLLUGBQNQ-UHFFFAOYSA-N 257.352 4.721 30 10 CJEE SCC1(CSc2ccccc2Cl)CCC1 87096457 BIMLEOBFPYTQEY-UHFFFAOYSA-N 258.839 4.532 30 10 CJEE C=C(C)Cn1cc(CCCCNC(C)C)c2ccccc21 92130376 UAPQVDBUYARBOA-UHFFFAOYSA-N 284.447 4.538 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@H]1CCSC1CCCCC1 93580907 ADXDQYZQCQXOOP-RDJZCZTQSA-N 294.508 4.503 30 10 CJEE C[C@H](CCS)CCOc1ccccc1C(C)(C)C 94582465 DJKZFEONZKOUHR-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(C)c(C)c1 104363955 XIWJOWGQWIMEIX-SFHVURJKSA-N 261.453 4.924 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)cc1OC 109934702 KHRHNZSFPZQUIN-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCCC[C@@H]1C(C)(C)C 109945436 NXJZUQKSNLROML-HOTGVXAUSA-N 270.420 4.884 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)Cc1ccccc1 109961746 FXMVCUJZSABXJY-IRXDYDNUSA-N 261.453 4.956 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(Cl)cc1C#N 110259881 NWHMUZQYHCSXCP-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE CCCCCCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2O 110918189 XHDMRPBWJZFAFH-INIZCTEOSA-N 292.419 4.630 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(OCC)c1 125241135 QGQMNCXSEKBVHC-SFHVURJKSA-N 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277.795 4.663 30 10 CJEE C=C[C@H](C)CN[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343734317 NFGAIZZVQVJZED-FZMZJTMJSA-N 271.326 4.568 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCC[C@H]1C2)NCCC 2344372884 WGQRHXNEAMKNOU-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2344379394 XOKJFOGTMQXMCN-LBPRGKRZSA-N 291.744 4.961 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1cc(Cl)ccc1C#N 2352091689 ONKMUQUZWIEEJE-OAHLLOKOSA-N 297.851 4.573 30 10 CJEE CCCCCCCCCCCC[C@@H](F)[C@H](CN)OC 2352316841 SWAGPNWEHUPOBJ-CVEARBPZSA-N 275.452 4.609 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C(C)C)ccn1 2352783442 NLDDBFGFYWIKBP-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C=CCCCCCC=C1CCC([C@@H]2CCNC2)CC1 2353098848 OISDHTIIKQKSJX-QRWMCTBCSA-N 261.453 4.849 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc2ccccc12 2353822344 LRLDRZJXYFMMHQ-CQSZACIVSA-N 274.429 4.811 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2355085291 QSEPSACFZKZACQ-HLPPOEQASA-N 284.390 4.843 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359060317 SSHXDWZVVKACJA-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCC[C@@H]2CC[C@@H]21 2360075857 MNKDGIJQNPROPB-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)S[C@H]1Cc2c(C)cccc2[C@H]1NCCC 2360207108 FQPCDTMAMIXRIH-JCGIZDLHSA-N 289.488 4.658 30 10 CJEE Cc1ccc(Oc2ccc(C#N)cc2)c(C(C)(C)C)c1 11826892 RFASZGJVBHSICN-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C=CCOc1ccccc1/C=C1\Sc2ccccc2C1=O 33678063 PBGVLBGYDPISGE-ATVHPVEESA-N 294.375 4.581 30 10 CJEE CC(C)NC1(C#N)CCCCCCCCCCC1 34973822 PGPICKJBJBQRTM-UHFFFAOYSA-N 250.430 4.551 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCC[C@@H]2C)C1 37145684 NLZPKHTZVAGBJO-VVLHAWIVSA-N 276.468 4.605 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1ccccn1 37766396 JZCJRPNILHEWFK-CYBMUJFWSA-N 270.401 4.533 30 10 CJEE Fc1cc(/N=C2/NC3(CCCCC3)CS2)ccc1Cl 53098006 CARLMAJRFIFPJZ-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CCCCCCC[C@H](N)c1ccc2c(c1)CCCC2 59082500 NKWAAPMFBKZTNW-SFHVURJKSA-N 259.437 4.926 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 59083237 IXNKHRWXLHHFJM-PMPSAXMXSA-N 269.473 4.516 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 62610369 JVWSZHBAXVDAQW-SMDDNHRTSA-N 295.785 4.872 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(F)cc1Cl 71277253 XOWSSNOMWOYQAX-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CCCc1oc(-c2ccc(O[C@H](C)CC)cc2)cc1C#N 77081558 XVQIEJXZRRKFBG-CYBMUJFWSA-N 283.371 4.948 30 10 CJEE Cc1c(Cl)ccc2c(CS)cc(C(C)(C)C)nc12 82468305 WBSOEVPVVOCBSI-UHFFFAOYSA-N 279.836 4.924 30 10 CJEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(Cl)cc1 83306836 PZAALISHZLYIHV-JMVBYTIWSA-N 268.743 4.636 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)s2)C1 83791882 KHMVBFGPPXICDW-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCC[C@H](CS)CSc1ccc(C)cc1C 87096226 FGXKZIURWRPNOD-CYBMUJFWSA-N 254.464 4.742 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87930314 ORJZCFKORGEYAG-QAPCUYQASA-N 285.435 4.651 30 10 CJEE C=CCCC[C@H](NCCC)C1CCC(CC)CC1 87938339 BLLGHWQILFSNKT-JCYILVPMSA-N 251.458 4.927 30 10 CJEE N#Cc1ccc(N2CCCCc3ccccc32)cc1Cl 88336782 YPNXVFIMMFPDKO-UHFFFAOYSA-N 282.774 4.686 30 10 CJEE SCCCCCOc1ccccc1-c1ccccc1 94583419 AFGHJNADZDZHKQ-UHFFFAOYSA-N 272.413 4.833 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1C)NCC 109730594 CXTCVVKPIFOJAK-SFHVURJKSA-N 261.453 4.876 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H](C)c1cccs1 110020845 LZMPPLOSCUAFNF-RDJZCZTQSA-N 296.524 4.819 30 10 CJEE CCCCCCCOC[C@H](NC)c1ccc(C)c(C)c1 110081507 KNTALXOHNDYQPT-SFHVURJKSA-N 277.452 4.551 30 10 CJEE CCCCCCCCOCc1ccc(CNCC(C)C)o1 110171348 UJIGYHWPBVBUTA-UHFFFAOYSA-N 295.467 4.902 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1C#N 110259914 FYPOCLRWFGVLDC-FZMZJTMJSA-N 263.768 4.559 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N(CC)c2cccc(C)c2)C1 110263403 JUPXTMQPGQVWEY-XYJFISCASA-N 270.420 4.540 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NCC1(CC)CC 115239050 SLGNDSLYIFPLOO-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C)c1cccc(N)c1 115854562 JNRHZIXCPSKFSM-OAHLLOKOSA-N 290.451 4.587 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1ccccn1 125414818 CRQMMEVIIZBLMO-SFHVURJKSA-N 291.483 4.897 30 10 CJEE CC1CCC(C#N)([C@@](C)(O)c2cc3ccccc3s2)CC1 127291321 ZSPOYWIFOJHXNK-VXVMZULRSA-N 299.439 4.829 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1cc2c(s1)CCCC2 129319454 SVZRUVDIFVQADR-GFCCVEGCSA-N 282.412 4.672 30 10 CJEE C#CC[C@H](CC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 129721910 VCROYCTVVQRIRJ-UWVGGRQHSA-N 288.193 4.585 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(Cl)s1 131507550 KONLRRZSFICOCX-LLVKDONJSA-N 257.830 4.799 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(C)ccc1OC 133352850 WHYLQPYFCYQYKV-QGZVFWFLSA-N 277.452 4.624 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccncc1OC 134647272 NFHLJVXWQDMKGH-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE CSc1cccc(SCc2ccccc2C)c1C#N 136995401 KEZTVFCZVCLSLY-UHFFFAOYSA-N 285.437 4.881 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(N(C)C)cc1 140406674 PHAPMWUXGLLXQO-KRWDZBQOSA-N 262.441 4.503 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(OC)cc1F 159147196 AEWRNRZQQHAITF-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CCCS1 161015967 IKQWHLZDJLHESZ-CABCVRRESA-N 257.487 4.611 30 10 CJEE CC(C)c1ccc(NCc2ccc(C#N)cc2Cl)cc1 162581258 FRMBPPDYCVPOPX-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE C=CCCC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC 167687992 VEMIZCKKRLIAIP-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc[nH]1 188072166 BCOBXVCPCHTYLE-VAWYXSNFSA-N 294.398 4.519 30 10 CJEE C=CCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 219514199 VVXDMPFYLRVQKS-YESZJQIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1C 226553218 URFAEUINENYNPI-CQSZACIVSA-N 271.326 4.631 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCCCC1(C)C 226860105 BMISIOJOPQNETL-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccccc1Cl 227611394 VUSDPDKBTLCECP-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCC[C@@H](Cc1nccn1CCC)NC 228649185 MTZFKSILSAHHBE-KRWDZBQOSA-N 293.499 4.564 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Br)c(C)c1 229735404 PZADDBIYHFMXBM-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(OC(F)F)c1 229756766 UIJOTYBPERIZJL-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE CCCC1CCC(c2noc([C@@H](C)CCC#N)n2)CC1 232914222 NYCNKAWPJJCQBP-HSBZDZAISA-N 275.396 4.551 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)[C@H](CC#N)c1ccccc1 251582123 WHVMWGBWZOTODD-RDTXWAMCSA-N 298.817 4.988 30 10 CJEE COc1ccc(C=Nc2ccc(F)cc2)c2ccccc12 254758180 GIKXCICHEQMYAE-UHFFFAOYSA-N 279.314 4.738 30 10 CJEE CC(C)n1cc([C@@H](C)C#N)c2cccc(C(F)(F)F)c21 260345860 OHHKKYIWNDSOCG-JTQLQIEISA-N 280.293 4.868 30 10 CJEE CSc1cc(Br)cc(C2(C#N)CCCC2)c1 260615593 OLKWHYGNTKVVCP-UHFFFAOYSA-N 296.233 4.506 30 10 CJEE COc1ccc(C2CCCC2)cc1C(C)(C)CC#N 260882622 SYISGTJBSUJSDV-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE CC[C@H]1CCC[C@@H](C2(C#N)Cc3ccccc3C2)C1 311347491 CPTGHUCDNIYBAK-WMLDXEAASA-N 253.389 4.512 30 10 CJEE C=C([C@H](NC)C1CCC(CCCC)CC1)C(F)(F)F 311536875 SIEMGMCFAGFEBB-RUXDESIVSA-N 277.374 4.690 30 10 CJEE C=C(CC)CNCc1sc2ccccc2c1Cl 313476785 AOLARHJODGKYNF-UHFFFAOYSA-N 265.809 4.611 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(F)ccc2Cl)C1 316900528 UBBFXQAMBXIHTL-WBMJQRKESA-N 282.786 4.807 30 10 CJEE CCCC1CCC(C=O)([C@H]2CCC[C@@H](C)C2)CC1 317122029 HKMIXTQVEQIDCG-GYXIZQIFSA-N 250.426 4.988 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCC[C@@H](C)C1 319614544 DTMUAPRZBJLDJO-SJORKVTESA-N 251.458 4.785 30 10 CJEE N#Cc1ccc(NCC/C=C/c2ccccc2)cc1Cl 323322359 STGOSBGJOSMBSJ-XBXARRHUSA-N 282.774 4.727 30 10 CJEE Cc1cc(SC[C@@H](CS)C(C)C)nc2ccccc12 381678684 ARNFNRZKSLHNOU-CYBMUJFWSA-N 291.485 4.837 30 10 CJEE N#CC1(C[C@H]2CCCCC2(F)F)Cc2ccccc2C1 382059132 GHVAHEOXKBLVQD-OAHLLOKOSA-N 275.342 4.511 30 10 CJEE CC(=NO)c1ccc(C)cc1OCCCCCC(C)C 383170929 SFOATGMFCZHBQR-UHFFFAOYSA-N 277.408 4.788 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1cccc(Cl)c1Cl 384969991 IHPFOLHRORSBDB-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1c(Cl)cccc1Cl 395076513 RBIINIJYZIVZPY-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(C)cc1F 395786737 AELZVXRQYVPAPX-MRXNPFEDSA-N 251.389 4.803 30 10 CJEE C=CCCCCCC(=O)c1cc(Br)oc1C 396753257 ZTQHVZAVQPWLIS-UHFFFAOYSA-N 285.181 4.670 30 10 CJEE CCCCCCCCC[C@@H](O)CCCOCC(F)(F)F 400481925 BJDUIJYCEYCMMW-CQSZACIVSA-N 298.389 4.847 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC=CCC1)NN 402117469 BLFLVLJSIDTGAW-IAGOWNOFSA-N 266.473 4.705 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1csc(C)c1 686677294 YXHRCYOGYJYQSG-MRXNPFEDSA-N 263.450 4.681 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(C(C)(C)C)cc1 686693336 RRAWPJMPLULNTH-SFHVURJKSA-N 271.448 4.828 30 10 CJEE C[C@@H]1CCCC[C@H]1C/N=C1/NC2(CCCCC2)CCS1 687319103 VWGXLCPFEYZXOG-CABCVRRESA-N 294.508 4.598 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CC12CCOCC2 689901259 OCMODTGMMJOIEO-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 691050570 BKMXVHPTTMWHIA-WBMJQRKESA-N 276.811 4.982 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](OC)C1CCC1 692713234 MVOQLBILBVIMME-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccns1)NCC 694601794 NCEGJDLZRDMNSS-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H]4C[C@H]3C4(C)C)C[C@@H](C1)C2 697306477 HQILNRLENPFYLD-PEPQYUEUSA-N 273.464 4.536 30 10 CJEE CCCCCCCCC[C@@H](Cc1nnc(C)s1)NCC 698856510 MAPZUVVGPNGBMG-HNNXBMFYSA-N 297.512 4.508 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)[C@H]1CC2CCC1CC2 704041379 VKNOKRXXGRMXJJ-RDHHWEPZSA-N 263.469 4.783 30 10 CJEE C=CCCC(C)(C)CNCCCC1CCCCC1 704044962 AKJYFHLYPBSYED-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@@H](C(F)(F)F)C1 704506610 HJIZQEPGCCTSAE-ZIAGYGMSSA-N 295.389 4.566 30 10 CJEE CCCCCCCN[C@H]1CCCc2ccc(OC)cc21 705825995 UDRVTSNIISHXJZ-SFHVURJKSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC(C)(C)CO1 708327612 WNAPERZAOOHMBP-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(F)c(Cl)cc1F 710643324 VEBBJZJWBZKYKJ-CYBMUJFWSA-N 294.172 4.802 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CC(C)(C)CC[C@@H]2C)cc1 713078851 RLEPCIHRUSSUCC-WMLDXEAASA-N 256.393 4.516 30 10 CJEE CCC1(C/N=C2/NC3(CCCCCC3)CS2)CCCC1 713214604 MZGWTYBICDNRKX-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCCCCCCCC[C@]1(O)CCC[C@H](OCC)C1 720795035 BRNWDRBPNHZIEZ-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H]2CCCc3ccccc32)CC1 724550604 UCDLYRCSJVPIRO-RTBURBONSA-N 269.432 4.570 30 10 CJEE N#Cc1cc2scc(OC(F)(F)F)c2cc1C(F)F 725291615 VMHSXTLPNKNXQQ-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C(=NNc1cccc2ncccc12)c1ccccc1C1CC1 751130043 BDSWEMNTILGTOX-UHFFFAOYSA-N 287.366 4.558 30 10 CJEE C=CC1(CC(=O)N2CCC[C@H](CC)CC2)CCCCC1 1126108015 FJGIOOJUOCHKKY-INIZCTEOSA-N 277.452 4.552 30 10 CJEE CCCCCCCCN(C)Cc1cccnc1Cl 1137424805 HIZCRGWGAAIHRM-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE CC(C)C1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1178971503 IDSMUMFBFAXTIN-OUNSHVDWSA-N 296.458 4.740 30 10 CJEE C=CCCCCCCCCNc1nc(C)ccc1C#N 1186620530 LGIXZLTXGUMECR-UHFFFAOYSA-N 271.408 4.590 30 10 CJEE C=CCCCCCN1CCCC[C@H]1Cc1ccc(O)cc1 1198611729 DAVZIMUPAORSHH-SFHVURJKSA-N 287.447 4.536 30 10 CJEE C=CCC[C@@H](CCC)NCC(C)(C)c1ccccc1 1206597211 DSWDUABMDIZYFQ-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE C=CCCc1ccccc1NC(=O)NC1CCCCCC1 1216884466 QWIGKAJBXQMQKL-UHFFFAOYSA-N 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CC(C)[C@H](C(=O)C=Cc1ccccc1)c1ccccc1 2164066853 IBESWDPVILCPPZ-IBGZPJMESA-N 264.368 4.709 30 10 CJEE N[C@H](CC#CC1CCCCC1)[C@H]1CCCCCC1(F)F 2164913045 IQQCHVPYOCAKLL-HZPDHXFCSA-N 283.406 4.503 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]3CCCCCC[C@H]32)cc1 2166182719 KNDHPFQMPPMQTP-SOLBZPMBSA-N 268.404 4.577 30 10 CJEE C=CC1(CNCc2ccc(-c3ccccc3)s2)CCC1 2168008140 SYDLGOCNQSOTJA-UHFFFAOYSA-N 283.440 4.861 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1C[C@H]2CC[C@H]1O2 2168094194 DFSBCIHPJGEEFJ-BRSBDYLESA-N 281.484 4.802 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)C2CCCCC2)C1 2168425108 WKLHJBRWCFIIEC-IDCNUPLLSA-N 276.468 4.605 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC2(c3ccccc3)CC2)C1 2168517218 MJXOMEFURSAOKE-SFHVURJKSA-N 270.416 4.894 30 10 CJEE CSc1cccc(N(C)C[C@@H]2CCC[C@@H](C)C2)c1C#N 2168555520 VMKIMPYXCWIQGQ-ZIAGYGMSSA-N 288.460 4.543 30 10 CJEE CCC1(CC)CSC(=N[C@H](C)[C@@H]2CCCC(C)(C)C2)N1 2168616548 GHJAZULGKZVZBU-ZIAGYGMSSA-N 296.524 4.843 30 10 CJEE CC(C)(C)C[C@H]1CSC(=NC2CCCCCCCC2)N1 2168724443 TZYYKNLAIHPWQJ-HNNXBMFYSA-N 296.524 4.987 30 10 CJEE N#C[C@@]1(C2(O)CCCCCCCC2)CCCC12CCC2 2168763384 NOFJSECKQHNXBD-KRWDZBQOSA-N 275.436 4.716 30 10 CJEE Cc1nc(N(CCC#N)CC(C)(C)C)sc1C(C)(C)C 2170772426 PJHNAFBLKXAKBC-UHFFFAOYSA-N 293.480 4.515 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(C2(C)CC2)c1 2173289407 DMVCIRFQHSVGMG-CRAIPNDOSA-N 271.448 4.991 30 10 CJEE Cc1ccc([C@@H](O)[C@]2(C#N)CCCCC23CC3)c(Cl)c1 2173620649 ZKADFHNBVMXGAX-NVXWUHKLSA-N 289.806 4.546 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C1(O)CCCCCCCC1 2173639386 NKAZDNFALVEWSV-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc(F)c2Cl)C1 2176159285 DQRGXVRWDRRTGH-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)c1ccc(Cl)cc1C#N 2176481618 FKRZTPRSYLIPQW-CJNGLKHVSA-N 290.838 4.720 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(Cl)c(F)c2F)cc1 2177233075 BFSKFSXQAKEYBN-SNVBAGLBSA-N 291.728 4.773 30 10 CJEE C[C@]12CCC[C@@H]1N(c1cc(Cl)c(C#N)cc1F)CCC2 2177389921 IEMJEPFXIPLEQT-JKSUJKDBSA-N 292.785 4.510 30 10 CJEE C[C@@H]1C[C@H](Nc2cc(Cl)c(F)cc2C#N)CC(C)(C)C1 2184457430 DEGILMLDFSRCAM-PWSUYJOCSA-N 294.801 4.977 30 10 CJEE CCCc1nnc(C[C@]2(C#N)CCCC(C)(C)CC2)s1 2186516991 QKJKJFQCSKNDHC-INIZCTEOSA-N 291.464 4.533 30 10 CJEE CCc1ccc(C#N)c(N[C@H]2CCC[C@@H](CC)CC2)c1 2188836120 FZUFMXMMFVHDAK-PBHICJAKSA-N 270.420 4.891 30 10 CJEE CC[C@](C=O)(CN1CCCC[C@H]1c1cccs1)C(C)C 2190468087 KOZAGVLROCXLKO-DOTOQJQBSA-N 293.476 4.526 30 10 CJEE CC1(C)CCC[C@](C#N)(c2cccc(C(F)F)n2)CC1 2194641175 PMSCVGQEXNHJPC-INIZCTEOSA-N 278.346 4.771 30 10 CJEE C=C1CCC(C[C@@](C)(N)c2cc3ccccc3o2)CC1 2196590907 DBRYBPFYGXQOIC-GOSISDBHSA-N 269.388 4.743 30 10 CJEE CCCCCCCCN(C)[C@H](CNCCC)CC(C)C 2196703864 IJAPNGLCFPXGAT-SFHVURJKSA-N 284.532 4.693 30 10 CJEE CCCCCCCN(C)C[C@@H](NCCC)c1cccs1 2196736365 HNUVRTGLVIYIGW-MRXNPFEDSA-N 296.524 4.691 30 10 CJEE CCCCCCCCN(C)[C@@]1(CN)CCC[C@@H](C)CC1 2196736942 NNGSXZYSLJRKRF-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=CC[C@](C)(NC[C@@H]1C[C@H]1C1CCCCCC1)C(F)F 2200292971 IBUCOOJJQLXJFN-ZOBUZTSGSA-N 285.422 4.782 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2203787232 KCTIIQADHOXDHS-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cc(F)ccc1F 2203787880 RYVBKGZLLNVYLA-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE CCCC#CC[C@H](CSc1ccccc1C)NCCC 2203792263 PMQMLKCNEQGFFE-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(F)c(F)c(F)c1F 2206893465 AHIFVKOZSMTIDP-GFCCVEGCSA-N 289.316 4.769 30 10 CJEE C=CCCCCCC[C@H](O)C[C@@H](C)c1ccc(N)cc1 2206902544 LFWJXZASHXFIDC-QAPCUYQASA-N 275.436 4.650 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cc(C)n(C)n1 2207284884 ZCFOMKRVFXUACE-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE C=CCCCCCCCCOc1c(F)cccc1CO 2207403199 HGQAZUCHJPEYEF-UHFFFAOYSA-N 280.383 4.614 30 10 CJEE C=CCCCCCCCCCC(=O)Cc1ccncc1 2207429150 GKRDXKUOOOSDBB-UHFFFAOYSA-N 273.420 4.890 30 10 CJEE C=CCCCCCCCCCOCC[C@H](N)C(F)(F)F 2207433441 ZPUXSESXNSAKNL-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2207437742 QVYTZZVOIJWGFS-XHSDSOJGSA-N 285.422 4.927 30 10 CJEE O=C[C@@]1(CCCCCCCC2CC2)CCCS1 2216872967 OGVYWVIJOOKXPI-OAHLLOKOSA-N 254.439 4.592 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1sc(C)c(C)c1C 2221235815 LHDOJGXMRXPOIE-LSDHHAIUSA-N 263.450 4.680 30 10 CJEE C#CCCC[C@@H](NCCC)c1sc(C)c(C)c1C 2221238277 UTLLRJPNJYVGNL-OAHLLOKOSA-N 263.450 4.518 30 10 CJEE C[C@H](NCC#CC(C)(C)C)c1cccc(Cl)c1Cl 2222834554 DYOAAVBAFVDYLQ-NSHDSACASA-N 284.230 4.694 30 10 CJEE C=C(C(=O)C1C[C@@H]2CCC[C@H](C1)C2(F)F)C(C)(C)C 2225297404 DQXRIOBSRRENMY-YHWZYXNKSA-N 270.363 4.619 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCC[C@@H]1OCC 2227268883 UAUYMJBRDFTSOH-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@H](NC)C1(C)CC(F)(F)C1 2227284226 QGUHQAKEJQIMHA-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CNC(C)C 2231012939 BFYPBYFYLDGWPM-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)ccc1C(=O)O 2231019526 MPERUCBEBCCIIZ-GFCCVEGCSA-N 282.767 4.552 30 10 CJEE C=C[C@H](CCCCC)OCCNc1cccc(Cl)c1 2231104275 SYHUERORUVXOTL-MRXNPFEDSA-N 281.827 4.903 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@H]1CCCC(F)(F)C1 2231483529 MCHIARITAYRLOF-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=C[C@@](C)(CCSc1ccccc1)CN[C@H](C)CC 2231535662 HPCCSGACQCRLRK-WBVHZDCISA-N 277.477 4.749 30 10 CJEE CCCC#CC[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2233643386 WNLXUZZOADNNRV-JENIJYKNSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1scc2c1CCCC2 2233781388 GUGLUFUKVQZCST-MRXNPFEDSA-N 289.488 4.717 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCC2(CCC2)[C@@H]1N 2234043291 PFRVUMWEXJMLHH-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC(=O)C1(O)CC(CC)(CC)C1 2235537754 DWQDYWKGIIBNDI-UHFFFAOYSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1ccc(C)cc1 2235541935 MXOZSRXLTJDPEL-SFHVURJKSA-N 274.404 4.514 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2236723503 GVKTWNJAJYCGTP-MLHJIOFPSA-N 295.536 4.880 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](NC[C@@H](C#N)C2CCCC2)C1 2238163811 WFNQTYDTNDJJKR-BRWVUGGUSA-N 276.468 4.511 30 10 CJEE CC(C)[C@@H]1CCSC(=N[C@H]2CCC[C@H](C(C)(C)C)C2)N1 2238169974 KPZBXSDQFNYAKT-KKUMJFAQSA-N 296.524 4.698 30 10 CJEE CN(C[C@H](F)C1CCCCC1)c1cccc(Cl)c1C#N 2238361320 BOZQANXFAWJVGU-HNNXBMFYSA-N 294.801 4.566 30 10 CJEE C=CC[C@@H](CCCCCOC(C)(C)C)CN[C@H](C)CC 2240107565 ZWHXOIQTAOVLFY-SJORKVTESA-N 283.500 4.942 30 10 CJEE Cc1cccc2c1CC[C@H]2Nc1cc(C#N)ccc1Cl 2240169724 JHHCGIFYKNQRDP-MRXNPFEDSA-N 282.774 4.620 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CCCC(F)(F)C(F)(F)F 2240391736 WMSZJWBRPYNXMU-TXEJJXNPSA-N 297.311 4.537 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@@H](CC)CCC 2240576911 UKBUKEHGNLJHCA-ROUUACIJSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC2(CCOCC2)C1 2240654286 QBXOKUMFQYZTST-MRXNPFEDSA-N 281.484 4.674 30 10 CJEE CC=C(CC)C(=O)c1scc(Br)c1Cl 2241239979 DOKXVWUSTRIFSJ-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1sccc1C 2250149366 FPDXJQCUAMGNHD-CQSZACIVSA-N 251.439 4.844 30 10 CJEE CC(C)(C)C#CC=CCSc1ccc(N)cc1Cl 2256699076 FADHMCVLLRMKTL-UHFFFAOYSA-N 279.836 4.620 30 10 CJEE C=CCCSc1cccc(C)c1CNC(C)(C)C 2258977384 ALFRVVVFSGKZIE-UHFFFAOYSA-N 263.450 4.551 30 10 CJEE C=CCCCCCCCSc1nc(F)ncc1Cl 2258980447 FKVBJELISHACOQ-UHFFFAOYSA-N 288.819 4.888 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CCCSCC1 2259192310 DVPIQHVIRFHLAX-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCCC(=O)c1cc2c(s1)CCSC2 2259238597 VTWHVTKSBPXGOV-UHFFFAOYSA-N 280.458 4.857 30 10 CJEE C=C(C)CCCC[C@](C)(C(=O)O)C1CCCCC1 2259245600 VZHRPBFBIKFGEO-INIZCTEOSA-N 252.398 4.794 30 10 CJEE CC1CCC2(CC1)CCN2CCCCCCCS 2263205770 BGPIUXQJEWAWHV-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE SCCCCCCCN1CCC[C@@H]2CCCC[C@H]21 2263207667 OCECSJWMIFXKFX-JKSUJKDBSA-N 269.498 4.521 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2(C)CC(F)(F)C2)C1 2263635311 NBZNPODUKWRPLD-JSGCOSHPSA-N 258.352 4.597 30 10 CJEE CC1CC(CS)(CO[C@H]2C[C@H](C)CC[C@H]2C(C)C)C1 2265294541 GVCDOTFAFUQPMU-NZZOYKRFSA-N 284.509 4.810 30 10 CJEE COC1(CSCCCCC(C)(C)C#N)CCCCC1 2265573865 FEXZAZQPONAECS-UHFFFAOYSA-N 283.481 4.789 30 10 CJEE CC(C)CC(N)(CC=CC#CC(C)(C)C)CC(C)C 2268753267 UWJYZRVTULIVRM-UHFFFAOYSA-N 263.469 4.772 30 10 CJEE C[C@@H]1C[C@H]1CCCCCOc1cccc(Cl)c1C#N 2269398024 LADYWKQYEWTTCL-CHWSQXEVSA-N 277.795 4.807 30 10 CJEE C[C@H]1C[C@H]1CCCCCOc1cccc(Cl)c1C#N 2269398026 LADYWKQYEWTTCL-QWHCGFSZSA-N 277.795 4.807 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1c(F)ccc(F)c1F 2271799856 WFTNQGWJIFEZBO-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC1CCCC1 2274072102 ILQIHDKSQDOBEA-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCC1CCC([C@@](C)(O)CC#CC2CCCC2)CC1 2274170821 IMWBERQSBMZMPF-VJFUWPCTSA-N 262.437 4.538 30 10 CJEE CC(C)C[C@H]1CCC[C@@](O)(CC#CC2CCCC2)C1 2274193231 SABODBFQTOZOHQ-MSOLQXFVSA-N 262.437 4.538 30 10 CJEE Cc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(C)c1C#N 2280561655 BEROQDWCBLJLMP-MLGOLLRUSA-N 270.420 4.802 30 10 CJEE Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc(C)c1C#N 2280571150 WVHCGSWASNBIRL-YXJHDRRASA-N 268.404 4.556 30 10 CJEE CCC1(OCC[C@@H]2CCCC23CC3)CCC(=NO)CC1 2281333876 UZXAILFKAVYGQC-MBIQTGHCSA-N 279.424 4.526 30 10 CJEE CCCC#CC[C@H](NCCC)c1cccc(Cl)c1OC 2283157160 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CCN[C@@H](CC#CC1CCCC1)c1ccc(C)c(Cl)c1 2289883657 UDQHTRGYBDBEAQ-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)C1CC=CC1 2290637381 HCOAQKHIQYYPNC-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@@H](OCCC(=O)O)c1csc(C2CC2)c1 2290652020 FYJQYCURQMFAAA-CQSZACIVSA-N 294.416 4.514 30 10 CJEE C=C(CC)C[C@H](CCC1CCCCC1)OCCC(=O)O 2291154503 NPNBFSSXLPXHFI-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CC 2291309107 XNGJAIPYLMTJOT-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(=O)O)C1(C)CC1 2291709285 VJTPLGVFOSRMMX-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C1CC(CC)C1 2292034775 FWWZIYZEBCPPJL-UYSNPLJNSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@@H]1CC=CCC1 2292785627 WBLSASOHIDEZFA-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)C1(SC)CC1 2293995898 ZPCKVBFPYVAVDZ-INIZCTEOSA-N 299.524 4.533 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C=CCC[C@H]1C 2294567554 HOPDLYRSFNQXES-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE 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251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](CC)CC(C)C 2316751179 AVUKWNLJIHXOAK-WBVHZDCISA-N 251.458 4.805 30 10 CJEE C=CCC(CC=C)[S@](=N)(=O)CCCCCC1CC1 2316765459 XJTKGOHIVJSTTH-GOSISDBHSA-N 269.454 4.524 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)[C@H]1CCC2(CCCC2)C1 2321234724 UKPUKOIUZCRPMT-JYJNAYRXSA-N 250.426 4.700 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329177016 QJPQDMHXLFCLAL-KBXIAJHMSA-N 274.395 4.779 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2CCC[C@@H]3C[C@H]23)CCC1 2329946724 VUTPRESQLQTFFE-LTIDMASMSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2332698792 GKXDWTZTQAVMHV-SPUZQDLCSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCOC(=O)C1CC(S)C1 2337165221 QHQUHJSOBBXUBV-UHFFFAOYSA-N 286.481 4.769 30 10 CJEE C#Cc1cccc(NCc2ccc(Cl)c(Cl)c2C)c1 2338660207 NYHGPFFKOISWPJ-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCC(CC=C)Nc1ccc(F)cc1C(F)(F)F 2338729111 CDYPGZMNTVSHJP-UHFFFAOYSA-N 273.273 4.777 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(CC)cc1 2338749267 IIIFXPQAUVHORV-GOSISDBHSA-N 257.421 4.668 30 10 CJEE O=C(CCCCC(F)(F)C(F)(F)F)C1=CCCCC1 2342291234 YRLCMDNVANTXJZ-UHFFFAOYSA-N 284.268 4.814 30 10 CJEE C=CCC(C)(C)[C@H](CCc1ccc(Cl)cc1)NCC 2344341009 XYZSELNZDDCPJF-INIZCTEOSA-N 279.855 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C(=C)c1ccccc1 2344341278 ALCDHAYPBGVFCG-MSOLQXFVSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(C1CC1)C1CC1)NCC 2344344543 SNBXNKTYGBPQFW-MSOLQXFVSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1nc2c(s1)CCCCC2 2344380832 AQXDWDXPDIJRNE-MRXNPFEDSA-N 277.433 4.587 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@H]1C1CCCC1 2352068040 JCHDIAHHAGLWGA-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CCCOC2)c1Cl 2353187688 ZKDVPDREBQYTGD-NHYWBVRUSA-N 298.213 4.726 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H](O)[C@@H]1C[C@H]1C 2357651224 NMTISJIDOMWARV-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@@H]2CO[C@H]1C2 2359534916 WREDONIHLQALSM-FGTMMUONSA-N 282.468 4.837 30 10 CJEE Cc1cccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)c1 14479843 PLIOORICIXYILY-SQGPQFPESA-N 286.378 4.693 30 10 CJEE CCCOc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 21517300 XSIYJBCFRBGPSM-AWEZNQCLSA-N 280.371 4.520 30 10 CJEE C=CCOc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 33410887 KGKGMNLXUIREKU-XGICHPGQSA-N 298.769 4.801 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc(F)c(F)c1 37156562 NLRIOHMXQSCPMS-IINYFYTJSA-N 267.344 4.529 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cccc2ccccc12 37970172 DGZMZURPXYYYMD-IBGZPJMESA-N 278.399 4.717 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2ccc(OC)cc2O1 43967884 MIYVMTJIVXTHRF-FUHWJXTLSA-N 292.419 4.630 30 10 CJEE Cc1ccc(C)c([C@H](C#N)Nc2cccc(Cl)c2)c1 49670625 RPASWOYUWVBURM-INIZCTEOSA-N 270.763 4.634 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)Cc1ccc(F)cc1 57735247 LSPGWFYWSZNHBH-INIZCTEOSA-N 297.373 4.808 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C1CCCCCC1 59379183 NXZGJLONWMDUNY-SFHVURJKSA-N 282.516 4.719 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 70115223 LUZBTIMSOLIJAW-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE C=C(C)C[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 92129550 JSIYTRCNFXHLQY-AWDGRILASA-N 261.453 4.537 30 10 CJEE CCC1CCC(C#N)(C[C@H]2COc3ccccc32)CC1 92307649 NQHUNWODKVJPER-CSLYMUCUSA-N 269.388 4.663 30 10 CJEE CCCC(CS)(CCC)CN1CCCC[C@@H]1CC 94578988 DJTWXCLKCDVYGU-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CC1(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 94902794 DLPQKSXYIXESAO-LLVKDONJSA-N 296.197 4.750 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)c(F)c(F)c1 103935196 AHVOTRUVZIPSCV-CQSZACIVSA-N 274.326 4.888 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)C[C@H]2CC[C@@H]1C2 109673486 OEOQUVBCDMWGOD-LZWOXQAQSA-N 252.398 4.628 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CCCC[C@@H]1C 110023118 BSHQVJGSUGQDMD-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCOC1(CNCC)CCCCCC1 110067718 QQYCUBOMOLHODD-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCCN(CCC)[C@](C)(CC)CN 110107783 VRIWXEMOWZGURV-GOSISDBHSA-N 284.532 4.967 30 10 CJEE CCCCN(CCCC)c1cc(Cl)ccc1C#N 110253978 ZUEYLHPEMMVSNZ-UHFFFAOYSA-N 264.800 4.618 30 10 CJEE CCCCCCCCOc1ccc(C(=O)O)c(Cl)c1 110266342 YWWHTQRNEZSQCA-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 110327019 CTZIRHJHOWPPGS-UHFFFAOYSA-N 291.479 4.822 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1CNC(C)(C)C 111610641 LOZCOMBAQVBVLP-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCOC1 114995825 SDEXKSOIOZPCPX-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](NC)C(C)(C)N1CCCCC1 118146293 MYSOVIYIWUJPQV-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN(C)C1CCC(NC)CC1 118259844 GHPNNQPVMXKTAF-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE N#CC[C@@H](Nc1c(F)cccc1Cl)c1ccccc1 122067747 AFRWAJFGLLUWFL-CQSZACIVSA-N 274.726 4.546 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cccc(OC)c1 125233342 AMONFEWXTHVKCZ-SFHVURJKSA-N 292.467 4.730 30 10 CJEE CCSc1cccc(NC2C[C@@H](C)C[C@H](C)C2)c1C#N 130549088 WAIHYKRFKTVGDR-STQMWFEESA-N 288.460 4.907 30 10 CJEE Cc1cc(Nc2c(Cl)cccc2Cl)ccc1C#N 133466750 WOOCHJUHMWEVRB-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCC[C@@H](NCC)c1snnc1CCC 139561700 XCDZQBMXZCYOFU-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H](C)COC)NC 143473452 MKLOKRNIMMYKQJ-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CCCCCCCCOc1ccc(CNC(C)C)c(C)n1 148172997 KCOGDJDXIFPQJJ-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE C=CCC[C@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 156329410 APLUMKNKXJITRQ-JKSUJKDBSA-N 251.458 4.641 30 10 CJEE CCCCCCCCNCc1cccc2c1OC(C)(C)C2 159177898 IPGVFDGZNAVSFI-UHFFFAOYSA-N 289.463 4.850 30 10 CJEE C[C@@H]1CC(Oc2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)C1 164506883 RBLJJVCLRRDUOZ-BVUQATHDSA-N 297.320 4.781 30 10 CJEE Cc1cc(C#N)ccc1COc1cccc(C(C)(C)C)c1 165553415 CSPBYKUBGDDXMR-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE C[C@](C/C(=N\O)C1CC1)(SCc1ccccc1)C1CC1 210017034 SJIWPIBCFBOLCV-GROYHEBESA-N 289.444 4.719 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(F)c(OC)c1 215438820 AWCVFLLQFMXIOL-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CCC)OC 227402757 RDPPABVMAYDJRK-INIZCTEOSA-N 256.430 4.901 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2C[C@@H](C)CC[C@@H]2C)C1 227995513 MMHZKPCAPAIZAP-QXDIGNSFSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCCCCNCCC[C@H](C)CO 228358987 HYPDMWKIEVLDRT-SFHVURJKSA-N 285.516 4.906 30 10 CJEE C[C@@H](CC1CCC1)Nc1ccc(C#N)cc1C(F)(F)F 229678347 FZHRYNANIDWQIL-JTQLQIEISA-N 282.309 4.568 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(C)cc(C)n2)C1 229851743 BAEYESMHOLYJFN-OAGGEKHMSA-N 288.460 4.899 30 10 CJEE C=CCCCCCNc1cccc(OC(F)(F)F)c1 236118500 OKYZTPDVJYTHER-UHFFFAOYSA-N 273.298 4.744 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc(C(F)(F)F)cc1 236137003 KCJSLXUUPYHZAQ-UHFFFAOYSA-N 282.305 4.708 30 10 CJEE N#Cc1cc(F)cc(SCc2ccccc2Cl)c1 236212318 QMQNRWBLOZAZEU-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=CCCCCC[C@H](O)Cc1ccc(F)cc1Cl 236535436 FISJYIMTIPEZRQ-AWEZNQCLSA-N 270.775 4.519 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CC)[C@H]1CN 250818150 JVNATGSHAKFGDL-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]1c1ccccc1 250829856 QFFHWJVGBDFPCP-RYQLBKOJSA-N 259.437 4.881 30 10 CJEE Cc1oc2cccc(C3(C#N)CCCCC3)c2c1C 260648857 OEICEFQAKMPTQK-UHFFFAOYSA-N 253.345 4.775 30 10 CJEE CCCCCCC[C@@H](N)c1c(Cl)ccc(F)c1F 302458552 DNJPXJRJOVNSLQ-GFCCVEGCSA-N 275.770 4.979 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](C)CSC 306017418 PQFHAAWQNDXKBA-HUUCEWRRSA-N 260.487 4.877 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCOC[C@H]1C 311521054 DVSRYXPSXMGABT-ZACQAIPSSA-N 270.457 4.551 30 10 CJEE N#CC[C@@H]1CCC[C@@]2(CCCC[C@H]2c2ccccc2)O1 312356842 KQWQLVKCOBDJRC-OKZBNKHCSA-N 269.388 4.566 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2CSc3ccccc32)C1 316840545 RBIIHUHPMNHDCJ-CKEIUWERSA-N 274.429 4.661 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@@H](OCC)C1(C)C 378656012 ASTWRSROALUCLQ-OWCLPIDISA-N 270.457 4.549 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@H](OCC)C1(C)C 378656014 ASTWRSROALUCLQ-PMPSAXMXSA-N 270.457 4.549 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1sc(C(C)(C)C)nc1C 384907475 CLBPDDXYCCJDHP-LLVKDONJSA-N 280.481 4.612 30 10 CJEE C=C(COCCC)[C@@H](CCCCCCCCC)NC 387661998 NLAGWUUOAXKZIB-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCCCCCC/C(C)=C\B1OC(C)(C)C(C)(C)O1 396679219 VQFJVRIWVKGLAP-YPKPFQOOSA-N 266.234 4.925 30 10 CJEE CCCCCCCNCc1csc(Br)c1 397390726 JMOKMOZPYLUVPO-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnc(C)cc1C 397397406 DTFZTGSHSBONLI-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE CC(C)[C@H](C#N)Cn1c2ccccc2c2ccccc21 397554839 JSAXLADAAWESRV-CQSZACIVSA-N 262.356 4.590 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccccc1Cl 398118718 QDFIBBHANIKUPC-CHWSQXEVSA-N 251.801 4.735 30 10 CJEE C=CCCC[C@H](C)NC1CC(c2ccc(Cl)cc2)C1 398174267 MDZXBKZYXWWXNK-KTAKPFMOSA-N 277.839 4.920 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@]1(C)C[C@H]1F 399338209 GGBYCPRJMAELEZ-IKGGRYGDSA-N 286.479 4.877 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]2C[C@H]2C1 403318018 GYVXSAVZLZNMPV-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC=C(Cl)C2)C1 404399564 FLGHMUOALZXZCP-IIAWOOMASA-N 294.870 4.559 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](CC(C)C)c1cccs1 467815051 GPUWEGHEMQHUSM-HNNXBMFYSA-N 291.460 4.720 30 10 CJEE 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286.479 4.877 30 10 CJEE C#CCCN(CC(C)C)C[C@H]1C[C@H]1C1CCCCCC1 2200256156 QEYXJWDKWDWYLJ-MOPGFXCFSA-N 275.480 4.574 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=NC2CC(C)(C)CC(C)(C)C2)N1 2201222284 RZPKPBUMSFTJAP-JSGCOSHPSA-N 296.524 4.698 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1cccc(SC(F)(F)F)c1 2201369815 HVMIWUGYMVLBSZ-UWVGGRQHSA-N 298.329 4.838 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCCCC(F)(F)F 2201558845 MEXSYOBLBLFXOZ-AWEZNQCLSA-N 296.373 4.790 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@]12CO[C@](C)(C1)C2 2202644064 ADQBHPVLNIHFIA-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CCCCC#CCNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2203787822 RFGOICFINNNELS-FXSDRFNOSA-N 273.464 4.519 30 10 CJEE CCCCC#CC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC 2203787875 RWZFWFTYJHYCHP-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NC)c1ccc(CSC)cc1 2203809729 INGPYUAVZPIEMC-GOSISDBHSA-N 289.488 4.784 30 10 CJEE CCCC[C@@](C#N)(CC)c1cc(C)c([N+](=O)[O-])cc1Cl 2204619739 FWSUKMVVELYMIQ-OAHLLOKOSA-N 294.782 4.918 30 10 CJEE 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296.480 4.764 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CC[C@H]2CC[C@H]1O2 2207428949 DJTVWBHNUQNNGS-KURKYZTESA-N 279.468 4.722 30 10 CJEE C=CCCCCCCCCC[C@H](O)CC(C)(C)[C@@H](C)N 2207429288 HQLPXTUFKPYERY-SJORKVTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](N)CC1CCC1 2207430674 XEKNSYAUQUJODV-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCn1cc2c(c1)C(=O)CCC2 2207433897 CNNQSJHNGWJEFY-UHFFFAOYSA-N 273.420 4.924 30 10 CJEE C=CCCCCCCCCCN[C@@H]1COC[C@@H]1C(C)C 2207445375 BLJVKIWTPMQIQF-QZTJIDSGSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCN(C)Cc1ccsc1 2214622325 NLONDXCMUBRGRW-UHFFFAOYSA-N 251.439 4.707 30 10 CJEE C=CCCCCCCC[C@@](C)(O)[C@]1(C)CC1(F)F 2220084924 VHDAICWJBZUEPM-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@H]1C(C)C 2220086888 GSBWKRLZESRGHD-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCCNC[C@H]1CCC[C@H](F)C1 2220087241 QUAWRZHWLNNXJE-HOTGVXAUSA-N 255.421 4.631 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](CC)CCOC 2220097709 PLNLUGNMYSMGFD-HNNXBMFYSA-N 254.414 4.535 30 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4.979 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1csc(C)c1 2231926809 ZAUKOCULBUKXHU-JKSUJKDBSA-N 283.481 4.558 30 10 CJEE C=CCCCCCCC[C@H](N)[C@](C)(CC)N(CC)CC 2235513973 OVPNEBOLPSTQGV-ROUUACIJSA-N 282.516 4.741 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(O)c1sccc1C 2235521948 OJMVIBSOZQQBRF-DOTOQJQBSA-N 295.492 4.508 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@H](C)[C@H]1C 2235525603 CAHCOUWFUVOPFV-JZXOWHBKSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC1(CN)Cc2ccccc2C1 2235533055 QLJMDOANXJNQAF-UHFFFAOYSA-N 271.448 4.647 30 10 CJEE CCCCCCCCCCO[C@H]1CCC2(CC2)[C@H]1NC 2239490282 PIYTZEXYEWHIJN-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=C[C@H](CCCCC)OCc1ccsc1CNC(C)C 2239499747 IAUTUWBUGZITMI-MRXNPFEDSA-N 295.492 4.898 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccccc1CCC 2240167612 NVJAIKHWBHGZCC-APWZRJJASA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCCCC[C@@H]1C 2240556354 ORUFGUCOBORMCG-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C[C@@]1(C2CCC2)CCCN1c1cc(Cl)c(C#N)cc1F 2240556366 OWJNNADPHWCWRS-INIZCTEOSA-N 292.785 4.510 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](COC(F)F)C(C)C 2240642235 KFWCBAXHFSQKED-HUUCEWRRSA-N 293.442 4.979 30 10 CJEE CCCCCCCC[C@H](C)Nc1cnn(C(F)(F)F)c1 2240658268 QMBVEVCXFXJZQC-LBPRGKRZSA-N 291.361 4.910 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCO[C@H](C(C)C)C1 2240658299 QSXVBHQIZJYWEC-BZSNNMDCSA-N 283.500 4.919 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)[C@@H]1CC1(C)C 2240666511 NIAXJFFGXJATQU-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE C=CCCCSc1cc(Br)ccc1C(C)=O 2244577363 FMHBTQJGBRTVLN-UHFFFAOYSA-N 299.233 4.710 30 10 CJEE C=C(C)CCCCOc1cc(Br)ccc1C 2244629065 VMZNJWYSWRMYQC-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE C[C@@H]1CC[C@H](CSCCCCC(C)(C)C#N)C1 2248417710 ISMKHAHGIXWCKI-KGLIPLIRSA-N 253.455 4.876 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2249729850 OPOXHEGFDZDHLE-AWEZNQCLSA-N 272.219 4.919 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1 2250900778 ANXPGIVSHLWHBO-MNOVXSKESA-N 272.219 4.856 30 10 CJEE C=CCSCCCCCCCCCCCCO 2251298322 CEWODHJWMKEKSU-UHFFFAOYSA-N 258.471 4.799 30 10 CJEE CCCCCCCCC[C@H](N)c1c(C)nsc1C 2255071921 DOXFHGQEXGPJRB-AWEZNQCLSA-N 268.470 4.900 30 10 CJEE C=CCCCS[C@H]1CCC(C)(C)[C@H](NCCC)C1 2258976177 OXZASXMTMWQPCW-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE C=CCCCSc1ccc([C@H](CC)NCC)cc1 2259050634 DGDQOEROJYALDM-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(C)c(F)c(C)c1 2259238973 YGQMOTFYRFPKAA-OAHLLOKOSA-N 250.357 4.612 30 10 CJEE CCCCCCCCC[C@@H](CCC)OCCCN 2263072443 RLAVAEROFSJAGW-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCCCCC[C@](C)(O)C1[C@H]2CCC[C@H]12 2263658885 BMLYSWDDCLJLGR-ZOBUZTSGSA-N 252.442 4.924 30 10 CJEE CC1(C[C@@]2(C#N)CCC(F)(F)C2)CC(C(F)(F)F)C1 2264688153 FUYSZZHBJBDKJU-ILDUYXDCSA-N 281.268 4.684 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC1CC2(CCCC2)C1 2265227333 OWNOQAZNAVZCIA-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC1CC2(CCC2)C1 2268488122 YOEQYDCRFLPTKT-IBGZPJMESA-N 285.497 4.974 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(C(C)=O)c(C)c1 2269661422 GGBIWUPTMOQCDG-HNNXBMFYSA-N 260.377 4.711 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC 2271835446 UIPDNBDRCXLQTN-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE CC1CC2(C1)CC(C[C@]1(C#N)CCCC(F)(F)C1)C2 2272157955 DRDJDZKVXBQEMQ-MIGSVPMKSA-N 267.363 4.922 30 10 CJEE C#Cc1ccc(NCC[C@@H](C)CCCC(C)C)cc1 2272296129 DJYHBRQBJYSVKA-INIZCTEOSA-N 257.421 4.932 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(CC)s1 2273967990 UXLQYPDGFWYNBN-MRXNPFEDSA-N 275.461 4.545 30 10 CJEE C=C(F)C[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2277865451 WEQLSJVBUNTAAM-JTQLQIEISA-N 295.345 4.989 30 10 CJEE CCCCCCCCCCNC[C@H]1CC(C)(C)CCO1 2280314587 NGRVNRGXUHMVSP-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOc1cc(F)c(F)cc1[N+](=O)[O-] 2283361658 WVBXHXJXWIMVNV-UHFFFAOYSA-N 287.306 4.612 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1CC2(CCC2)C1 2284099498 TUVSYWUFVZIOHQ-QGZVFWFLSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1C[C@H]1C1CCCCC1 2284115984 PRCZONMHIYYWHO-OKZBNKHCSA-N 273.464 4.526 30 10 CJEE CCCCCCC[C@@H](NC)c1nc(C)cc2occc12 2284275978 VPSLWRPNQNFKMR-OAHLLOKOSA-N 274.408 4.757 30 10 CJEE C=CCCCCCCCSc1ccc(C(=O)O)c(N)c1 2287080287 QPUAQKOEDBRZJN-UHFFFAOYSA-N 293.432 4.586 30 10 CJEE CCC[C@](C=O)(CC)CN(C)Cc1sc(C)c(C)c1C 2287674338 QAFOGWILKDAIMH-QGZVFWFLSA-N 295.492 4.501 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CC1CCCCCC1 2289673007 XFDWMLAPRXLWJV-LJQANCHMSA-N 275.480 4.909 30 10 CJEE O=C(C#CC1CCCCC1)c1ccc(C2CCC2)cc1 2289675217 XELFLOGNOXCWNJ-UHFFFAOYSA-N 266.384 4.721 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1C[C@@H]1CCC 2290627050 KCXYOOJIWSRBAL-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(F)cc1C 2292694007 RFIBIZWMVFYULS-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE C=C(Cl)C[C@@](C)(OCCCN)c1ccc(C(C)C)cc1 2292903767 SOGJEAFKZVPZNK-QGZVFWFLSA-N 295.854 4.533 30 10 CJEE C=CCCCCCCCC[C@](CC)(OCCN)C1CC1 2293595577 LPVONHQFRGDOBC-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)C1C[C@H]2CC[C@@H]2C1 2294593794 DSNNRSBAWVFEFI-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)C#Cc1ccccc1Cl 2295233446 AHYWLWAYTJAKPT-UWWQBHOKSA-N 290.834 4.515 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cnc(OCC)s1 2295579430 OLRHZAKWCSDIFM-MRXNPFEDSA-N 298.496 4.856 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nccn1C(C)C 2295592874 WKWTYEYRHJQXQR-QGZVFWFLSA-N 279.472 4.779 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@](C)(C#N)NC(C)C 2295763034 DHPIAXZAMIWCSW-IAGOWNOFSA-N 298.540 4.996 30 10 CJEE Cc1ccc(NC=CC(=O)c2cc(C)ccc2C)c(F)c1 2296876244 FTLFDAGJCOMCJD-UHFFFAOYSA-N 283.346 4.559 30 10 CJEE Fc1cc(COCCCCCS)c(Cl)cc1Cl 2306234683 RDSPXQMNTOUEOY-UHFFFAOYSA-N 297.222 4.749 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1C[C@@H](C)N 2313873760 AVYOSIAMFGMPCH-NEPJUHHUSA-N 283.868 4.595 30 10 CJEE Cc1c(C(=O)C#CC2CCCC2)ccc(Cl)c1Cl 2316983062 KPSNPCLAHUOVCO-UHFFFAOYSA-N 281.182 4.678 30 10 CJEE CCCCCCCCN1CCC(F)(F)[C@@]1(C)CC 2317940587 KEJWZCYFJXGTNH-CQSZACIVSA-N 261.400 4.857 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2320149197 NQIVCNFDTGCPLF-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)c(C)cc1F 2321235857 ZMBBQYWEYNZVLR-CABCVRRESA-N 270.775 4.813 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H]1CCC(C)(C)C1)NC 2321606220 TVNUQUISLHCVAP-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329771655 NOUHFZKZSKHARG-BARDWOONSA-N 274.395 4.779 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1c(C)cccc1C 2338738718 ONYNPOOVMBRKDQ-GOSISDBHSA-N 257.421 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1 2338744682 PVALZIKPXQFOSD-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE CN(CCCCCCS)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338897586 UQDVMPJHESJIFZ-YESZJQIVSA-N 283.525 4.625 30 10 CJEE C=CCC1(C)CN(CCCc2cc(Cl)cc(Cl)c2)C1 2341141228 OYXNMDFCHSFKLX-UHFFFAOYSA-N 298.257 4.824 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1cccc(Cl)c1C#N 2343132820 QQZHQVNYSVRNNS-WCQYABFASA-N 277.795 4.663 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@H]1CCCCC12CC2)NCC 2344342061 HAUMGOHWZRGBDC-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)S[C@@]1(C(=O)O)CCCCC12CCCC2 2352013440 IGXMMQHJFADLGO-CZUORRHYSA-N 282.449 4.642 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)C[C@](C)(CS)C(C)(C)C 2352081893 FFWIPKAZHVEMST-BFYDXBDKSA-N 285.541 4.869 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccc(F)cc1SC 2353839272 GQCQBDNRLKYVKR-OAHLLOKOSA-N 279.424 4.521 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2354362803 MZXSLPGEGAYCQL-WCVJEAGWSA-N 285.422 4.782 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1OC[C@@H]2CCC[C@H]12 2358948528 XYORJFDSKLCQBX-XLAORIBOSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)SCc1cc([N+](=O)[O-])c(C)cc1NCC 2360202992 PNISAPSSCAOTNI-LBPRGKRZSA-N 294.420 4.533 30 10 CJEE N#Cc1ccc(Oc2ccccc2Cl)cc1Cl 61851373 DCOPMQOOZWKWEG-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 68603227 KEWICRSQANUWHK-SMDDNHRTSA-N 296.336 4.958 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C(C)(C)C#N)cc1 68616465 FAHNHVHREIHTGO-JKIFEVAISA-N 270.420 4.724 30 10 CJEE CCCCn1c(Cl)c(C#N)c2cccc(Cl)c21 71466041 CWNSLKSNXMHXGM-UHFFFAOYSA-N 267.159 4.620 30 10 CJEE Cc1ccc(C[C@H](C)Nc2cccc(Cl)c2C#N)s1 80245235 JLZGPKNONDETRF-JTQLQIEISA-N 290.819 4.625 30 10 CJEE CC(C)Oc1ccc(/C=N/Nc2ccccc2)cc1Cl 82251795 VYIQQUYSUNZEPC-WOJGMQOQSA-N 288.778 4.573 30 10 CJEE CCC[C@H](CS)COc1ccc(Cl)c(Cl)c1 87081760 LGIFQTVTYNGJPZ-VIFPVBQESA-N 279.232 4.718 30 10 CJEE CC(C)(C#N)CCn1c2ccccc2c2ccccc21 87595774 GPAMVYOXTBRJNP-UHFFFAOYSA-N 262.356 4.734 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCCOc2ccccc2)C1 87996649 DKQBMFNHENPUDX-NVXWUHKLSA-N 257.377 4.566 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H](C)Oc1cccc(Cl)c1 97419366 DVXWNBAFCXNHJN-WMLDXEAASA-N 295.854 4.832 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)ccc2F)cc1Cl 104009859 XFMOUVNZPHLBBS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCNCc1ncccc1C 104019591 GKHHXWLVTCTTLH-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cccnc1 105840278 PMWWLEBBLRAGAZ-MRXNPFEDSA-N 262.441 4.873 30 10 CJEE CCCCCCCNC[C@@H](c1ccc(Cl)cc1)N(C)C 106351619 QDMNIPSQYLKDPO-KRWDZBQOSA-N 296.886 4.503 30 10 CJEE CCC#C[C@@H](C)Cc1c(C)cc(OCC)c(C)c1C 107638805 OZYYQVREOCOIHF-CYBMUJFWSA-N 258.405 4.603 30 10 CJEE CCCCCCCCO[C@H](CNC)c1cccc(C)c1 110070296 YILDSWDNLAGFHC-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCC[C@@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 110257827 UICSPGFMTNPZHA-GFCCVEGCSA-N 270.298 4.568 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(C)ccn1 111680778 ORGQBFDDKHEAIT-INIZCTEOSA-N 262.441 4.921 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1[C@@H](C)NCC 112637932 MPIDEOZZSGGCLD-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC/C(=N\N)NC(C)(C)C 115065933 OFDBKOZGFVSFAF-UHFFFAOYSA-N 269.477 4.568 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CCCOC1 116141204 ZRVPJMVLJQCPIK-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCOc2ccccc21)NC 123125794 ASSVVGOGTNSPHE-IAGOWNOFSA-N 289.463 4.891 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC[C@@H]1C#N 124838122 CNOUCPZEQLDRDM-IAGOWNOFSA-N 264.457 4.799 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)CCO[C@@H]1C 125200816 IHMRTXMZGFXMRF-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(F)cn1 125814507 QNVVEDZBDXKTDZ-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](CCC)OCC 125915578 FBRASSKTSQPPGE-CVEARBPZSA-N 257.462 4.530 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cccc(C(F)F)c2)cc1 131936535 XPIRBMGQCQLHOB-HNNXBMFYSA-N 272.298 4.609 30 10 CJEE Cc1cc(Oc2ccccc2C(C)C)ccc1C#N 133498925 COBZHVYOAGTEEI-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(F)c(F)c1 147335209 QBBVLYXYJVYQSF-HNNXBMFYSA-N 283.406 4.975 30 10 CJEE C=C(CNc1ccc(C(F)(F)F)cc1)c1ccccc1 148003981 MFAJHWWUCSQXBU-UHFFFAOYSA-N 277.289 4.831 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C[C@@H]1CCCCN1 156654092 LDDKIDCUFDBGPM-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@]1(N)CCc2cc(F)ccc21 157847995 UKZOMIAKZKALIS-KRWDZBQOSA-N 263.400 4.677 30 10 CJEE CCC1CCC(CNCc2ccc(C#N)cc2Cl)CC1 162631387 YMOBLZCTYJKNEY-UHFFFAOYSA-N 290.838 4.518 30 10 CJEE Cc1cc(F)cc(-c2nc(-c3ccc(C#N)cc3)cs2)c1 162759678 BQRULOFPIJCJOJ-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE CCCCCCCC(=O)c1cnc2ccsc2c1 163507078 HRLVOQLCHWLZRH-UHFFFAOYSA-N 261.390 4.840 30 10 CJEE CC1CCC(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)CC1 167914652 BMLITRNJGFHSOJ-UYJHFMRCSA-N 283.415 4.813 30 10 CJEE CCC1CCC(Oc2ccc(CC/C(C)=N\O)cc2)CC1 212862041 OWDPQRFXQVIRDB-RGEXLXHISA-N 289.419 4.817 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2cnc3ccccc32)C1 222232491 HUHFUASCMVHHKI-VBQJREDUSA-N 281.403 4.563 30 10 CJEE CCCCCCCCCCN1CC[C@@H](CC)NC[C@@H](C)C1 227201092 RFKZXCXZACFMCT-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@@H](O)Cc1cc(Cl)cc2c1OCC2 228501896 GYPLPJMNWRBEHJ-MRXNPFEDSA-N 296.838 4.539 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(SC)cc1 229754969 BRAYZWSXHGUFCT-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=CCSCCN[C@@H](C)c1sc2ccccc2c1C 231932270 GFNXGHDPXMTJLK-ZDUSSCGKSA-N 291.485 4.780 30 10 CJEE CCCCCCCCN[C@H]1CCCC[C@@H]1SC 232938905 URZLLTZKODYQFY-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE C=CCCCCC[C@@H](Cc1cccs1)NCCC 233124310 PSAAXBXVMWTTSN-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccc(C)nc1C 233164303 VGVPSHLYQUPSQO-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccccc1OC 233164434 HAXLZCGGYGUYLI-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE CCOC1(C(=O)C2=CCCCCCC2)CCCCC1 233741060 KXRRFDBVOAOHDR-UHFFFAOYSA-N 264.409 4.576 30 10 CJEE C=CCCCCCN[C@H](C)C12CC3CC(CC(C3)C1)C2 235204161 MSTFIRBGQBEQHB-CPZBXZKTSA-N 275.480 4.927 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(C(F)(F)F)cc2)CC1 235293160 HUJNWWHLDSRXTC-JTQLQIEISA-N 268.278 4.635 30 10 CJEE Cc1cc(C)cc(CC(=O)C2=CCCCCCC2)c1 235842619 MVZZSAMAKHDPMR-UHFFFAOYSA-N 256.389 4.696 30 10 CJEE CC(C)[C@@H](CS)CO[C@H]1C[C@H](C)CC[C@@H]1C(C)C 252175916 RZNJHKOVEZCLHO-FPCVCCKLSA-N 272.498 4.666 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CN)CC[C@H](CC)C1 300518199 KEKZNOMBISWKKP-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)CC(C)C 304487722 MAFANYNKBNCBHT-HOTGVXAUSA-N 256.478 4.641 30 10 CJEE CCCCCCC[C@H](O)CCc1ccc(Cl)cc1 308438199 UQGQPAHYFPNWNO-INIZCTEOSA-N 268.828 4.994 30 10 CJEE N#CC1(CCC2CCCCC2)Cc2ccccc2C1 311327408 DNDIHYKWNFKCMS-UHFFFAOYSA-N 253.389 4.656 30 10 CJEE C=C([C@@H](C[C@@H](C)CC(C)(C)C)NCCC)C(F)(F)F 311497405 KVHKLUSCDAKXDX-DGCLKSJQSA-N 279.390 4.936 30 10 CJEE C=CCCCCCCNCc1cccc(C(F)F)c1 312124771 YPUNVTKQCPAQDS-UHFFFAOYSA-N 267.363 4.850 30 10 CJEE CCC1CCC(C#N)(c2ccc3ccccc3n2)CC1 312443104 NGFHBLILBNUEKG-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE CCCCCCCCn1c(S)nc2cc(F)c(F)cc21 312596782 MNTUBTDKSYANEF-UHFFFAOYSA-N 298.402 4.964 30 10 CJEE O=C[C@@]1(CCC2CCCCC2)CCc2ccccc2C1 316749766 QKBYEKALNOSNDU-IBGZPJMESA-N 270.416 4.721 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316834867 CXJOFAPIBLWNLP-HNAYVOBHSA-N 272.432 4.922 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CSc2ccccc21 316839221 SPQSXCZCWRFCEW-KEYYUXOJSA-N 274.429 4.661 30 10 CJEE C=CCC[C@@]1(CNC(C)(C)C)CCCc2ccccc21 318049490 FINHHOKESVLVBP-IBGZPJMESA-N 271.448 4.615 30 10 CJEE C=CCOCCC1(CNCCC)CCC(CCC)CC1 319317926 QCKRUOVGLNMZKM-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1cccc(Cl)c1F 320201036 QNFAWNNSJFIVTO-JBLDHEPKSA-N 253.748 4.768 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(C(F)(F)F)cc1 385011249 NJFWQTKWFNVZND-WFASDCNBSA-N 281.321 4.968 30 10 CJEE Cc1ccc(Cl)cc1N=C1N[C@@H](C2CCCC2)CS1 386070278 CQGZRDJXLFCDJF-CQSZACIVSA-N 294.851 4.531 30 10 CJEE CC1(CC/N=C2/N[C@H](C3CCCCC3)CS2)CCCC1 386136165 PPLDIJXRCIRKJI-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@H]1CCCC(F)(F)C1 386916078 CWPNAOLEPYCRSL-HUUCEWRRSA-N 273.411 4.640 30 10 CJEE N#CC1([C@H](O)CC2CCCCCC2)CCCCCC1 394622696 MCHHVBSMHPYCAF-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H]2CC(C)C)C1 396871069 OGIZFVDHOSLJNK-TVFCKZIOSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCNC[C@@H](C)CC(F)(F)F 396936148 WTOAPUWTCYLCEQ-ZDUSSCGKSA-N 267.379 4.915 30 10 CJEE COc1ccccc1SC[C@H](C#N)C1CCCCC1 397131194 RMJDWEBZZCDUIJ-AWEZNQCLSA-N 275.417 4.507 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 398169184 KQCYMYFWOUWSFP-KGLIPLIRSA-N 257.377 4.828 30 10 CJEE C=CCCCCC[C@H](CCCSC)NCCC 401616569 NZVNSQQCPDXLHJ-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE CCCCCCC[C@H](O)CCc1c(F)cccc1F 402000007 DJYQJXGUWVIMPU-ZDUSSCGKSA-N 270.363 4.619 30 10 CJEE C=C(C)CCO[C@@H]1CCCCCCCCCC[C@@H]1N 403350738 FCZLZWLIQYOCCV-DLBZAZTESA-N 267.457 4.580 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1c(C)cccc1C(C)C 466409858 OVANEZAKZDHXLL-AWEZNQCLSA-N 274.408 4.595 30 10 CJEE N#CCc1cccc(-c2ccc(Cl)cc2Cl)c1F 514261707 IYMWLUSZPZYSBY-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=C1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CCCC[C@H]3[C@@H]12 675083715 KNVWWCVZORBSTC-AKKLJKOSSA-N 270.416 4.684 30 10 CJEE CCCCCCCCCC[C@]1(CN)C[C@H](C)O[C@H]1C 686459720 LUNRNKGDHXUXQF-YESZJQIVSA-N 269.473 4.660 30 10 CJEE C#CCCCCC[C@H](Cc1ccc(F)cc1Cl)NCC 686700089 XMJCRLZIXRHYTF-MRXNPFEDSA-N 295.829 4.583 30 10 CJEE C#CCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1 686892971 MPHUSGLREMJCBW-UHFFFAOYSA-N 296.210 4.516 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2C[C@@H](CC)CC[C@@H]2C)C1 689936194 PPWHOJVFDSVBOE-JCECYMMASA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](OC)C1CCCC1 692949753 MQOIIRPUFBPUOE-DOTOQJQBSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]12CCC[C@H]1C2 693141258 AQLHTYNHQNOCRK-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCCCCCCCNC(=O)c1cc(C)c(F)c(C)c1 694905904 RRXWGQUOWHTILX-UHFFFAOYSA-N 279.399 4.533 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@@H](C)[C@H]3C)C[C@@H](C1)C2 697305575 ZHVVXCAMIJGWCA-YJJCSNFXSA-N 261.453 4.536 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc2c(c1)CCCC2 701896695 UQPMGDVCXLSQLX-HNNXBMFYSA-N 271.448 4.818 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 710177421 AXNCOTOXKRRGLT-UKRRQHHQSA-N 274.795 4.592 30 10 CJEE CCSc1cccc(Nc2csc(C)c2)c1C#N 710841978 MMEJQYRAXWKDRW-UHFFFAOYSA-N 274.414 4.784 30 10 CJEE CCCCCCCC(=O)C[C@@H]1CC(C)(C)OC1(C)C 711361223 WISREDJWAXCCOR-CQSZACIVSA-N 268.441 4.900 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 714262327 QGRSLXQRZUADQL-USXIJHARSA-N 268.404 4.638 30 10 CJEE C=CC[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F 715038407 IKMQZZPOBWOTQO-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc2cc(C)ccc2o1 715703306 GPFFEBBTIUTOBJ-RDTXWAMCSA-N 271.404 4.994 30 10 CJEE CCCCCCCCCCCC[C@H](N)COC1CC1 716901209 VTDATTMFJUVKQD-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C[C@H]12 717660480 HNSPEYYCWFNGMJ-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Cl)c(Cl)c1 717892723 DLYUZIKZCJCCCF-UHFFFAOYSA-N 272.219 4.828 30 10 CJEE CC(C)=C(C)CCOc1ccc(C#N)cc1C(F)(F)F 718647074 RBKDVFQMAUXFAR-UHFFFAOYSA-N 283.293 4.702 30 10 CJEE CCCN[C@]1(C#N)CCC[C@H](SCC(C)(C)C(C)C)C1 718870597 SSUZFWJYWLJROI-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1CCC(SC)CC1 720490229 GPMFOMAEAKDQDF-JCYILVPMSA-N 295.536 4.716 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCCC2(CC2)C1 723433474 HTYCRWPBZAQSAX-MRXNPFEDSA-N 295.536 4.911 30 10 CJEE CCCC[C@H](CC)CC1(C#N)C[C@H](C)O[C@@H](C)C1 724270217 FSWPGQZARODMKF-KKUMJFAQSA-N 251.414 4.690 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 724565398 DOXMQDBJJOCAAQ-KKUMJFAQSA-N 290.369 4.853 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cncc(Cl)c2)CC1 724619440 UGWVZKACRHAWQT-KRWDZBQOSA-N 292.854 4.912 30 10 CJEE CC(C)[C@@H]1CCC[C@@]2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1 725350047 HZEPURZZQCRYCW-CKEIUWERSA-N 278.245 4.685 30 10 CJEE C#CCCCSCc1c(Cl)ccc2cccnc12 766737868 GPEWQJWQLBUVNP-UHFFFAOYSA-N 275.804 4.535 30 10 CJEE CC(C)c1cc(Br)ccc1O[C@H](C)CCC#N 829179659 OIPJWXMSNRABDQ-LLVKDONJSA-N 296.208 4.644 30 10 CJEE C=CC1(CC(=O)N(C)C2CCC(F)(F)CC2)CCCCC1 1129594016 KDNXEQGQQCEMHJ-UHFFFAOYSA-N 299.405 4.549 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2sccc2c1 1130905090 VGDODDAJAZEKKP-XJKSGUPXSA-N 299.439 4.766 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(-c2ccccc2)o1 1133391956 ZSQKLMJASZHMHH-UHFFFAOYSA-N 297.398 4.669 30 10 CJEE C#Cc1cccc(N(CC2=CCCC2)Cc2cccs2)c1 1167943832 XBAOYSZHZFJRPP-UHFFFAOYSA-N 293.435 4.846 30 10 CJEE C#CCCCCCCN1CCC[C@@](F)(c2ccccc2)C1 1197086481 GGLOSETXUVEMAJ-IBGZPJMESA-N 287.422 4.531 30 10 CJEE C=CCCCCCCCNCc1cc(C)nc(Cl)c1 1206143473 SSHLCIAVHNFWNT-UHFFFAOYSA-N 280.843 4.660 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCSC2(CCC2)C1 1207719354 GLIOUKIFMTVZNZ-CABCVRRESA-N 267.482 4.529 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC(=C)c2ccccc2)c1 1220337060 JRHSCSRPXCJCCE-UHFFFAOYSA-N 292.382 4.555 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(CCC)cc1)c1ccccc1 1264031407 PUMOEOVIKGSBAK-QGZVFWFLSA-N 293.410 4.938 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(CC)c(CC)c1 1271935838 TTWHALOMSHQDKS-UHFFFAOYSA-N 287.447 4.678 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1287906884 YDPGGHQRBHEZRT-WMZOPIPTSA-N 291.479 4.796 30 10 CJEE C=CCCC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 1309810863 UYBBPQXLQXOOHF-HNNXBMFYSA-N 275.392 4.609 30 10 CJEE C=CCCC(C)(C)CNC(=O)NC(C)(C)C1CCCCC1 1313125086 DWQRZLCABZPXAT-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@H](C)CCCCC)cc1 1361117398 FXWXLELKJLAICH-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(CCC)cc2)CCCC1 1437629690 YRWULCCYVOQHIP-UHFFFAOYSA-N 299.458 4.896 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cnc(C(C)C)s2)c1 1439930676 JZPVGIMWWFZYKY-UHFFFAOYSA-N 286.400 4.552 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1456667655 JYCUZCJIFYCAOS-LSDHHAIUSA-N 267.457 4.510 30 10 CJEE C=CCCCCCN1CCC[C@H]1c1ccccc1C 1459316930 DZAFPBNFFMZHCF-SFHVURJKSA-N 257.421 4.878 30 10 CJEE C=CCCC[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1 1460710371 OSGGFHIVTXRVFL-UFYCRDLUSA-N 299.458 4.631 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(F)cc2CSC)C1 1461286592 USGNUFSNLZERHN-SUMWQHHRSA-N 293.451 4.523 30 10 CJEE C#C[C@H](NC[C@@H]1CCC[C@@H](CC)C1)c1ccc(Cl)cc1 1462303525 GATZVSORFPOHFI-RKVPGOIHSA-N 289.850 4.820 30 10 CJEE CCCCCCCCCNC(=O)c1ccc2[nH]ccc2c1 1464026493 JJQXSIBMAKOMBM-UHFFFAOYSA-N 286.419 4.648 30 10 CJEE C=C(C)CCN1CCC[C@]1(C)Cc1ccccc1Cl 1473634470 MKPWOPZRAMAHOC-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE CCCCCCCNCc1csc(-c2cccs2)n1 1473916431 GAEUDYMXEGAKBD-UHFFFAOYSA-N 294.489 4.932 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@H](OC)C2(CC)CC)c1 1474741604 WTBNMZXJMSKMSW-SJORKVTESA-N 273.420 4.725 30 10 CJEE C=CCC[C@@H](C(=O)N(C)C[C@H]1CC=CCC1)c1ccccc1 1520334180 RCLPCSGNJODCCA-PKOBYXMFSA-N 297.442 4.551 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)C[C@H](CC)c1ccccc1 1529568489 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283.362 4.541 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H]2C[C@H]1C[C@@H]2OC 2158658829 WAJHUOGPAASEOE-VSZNYVQBSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1COC(C)(C)C1 2159360104 YIBJPUIOCGDWLG-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@H](CN=C2N[C@@H](C)[C@@H](C(C)C)S2)CC1 2159519944 UVRUEKOMFRDFIX-XUWVNRHRSA-N 296.524 4.698 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(F)cc21 2163700909 YLVLIKMGCSEFCL-FHLIZLRMSA-N 273.395 4.538 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)C1(NC)CC1 2164278365 GTRUZMGRKKIVMC-QGZVFWFLSA-N 282.516 4.637 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](O)C(C)C 2167477580 AKWSNGJVQJHGLY-GOSISDBHSA-N 285.516 4.856 30 10 CJEE C#CC(C)(C)CC[C@@H](CNC(C)(C)C)c1ccccc1 2167604502 RIOJUZIKHIQOLG-KRWDZBQOSA-N 271.448 4.598 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2167605020 WHAKYQTVEOBUEU-XDNAFOTISA-N 275.480 4.621 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1csc(C2CCCC2)n1 2169814293 FBWLFAQKIJPZMS-CXAGYDPISA-N 291.460 4.739 30 10 CJEE 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4.849 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccc2c(c1F)CCC2 2178076404 FRCBVMNVQMHXOE-SUMWQHHRSA-N 275.411 4.567 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc2c(c1)CCCC2 2179682728 YDZSLZOCYCVHNM-LJQANCHMSA-N 271.448 4.962 30 10 CJEE CCCc1ocnc1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2181638750 ISDJOTMUZFBBRV-CYBMUJFWSA-N 275.392 4.582 30 10 CJEE CCCCCCCOC[C@@H]1CC[C@@H](CNC(C)(C)C)C1 2181815318 BZIYACWMYNNNOU-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC2CC(=C3CCC3)C2)C1=O 2182143893 GQYRFNXWEXBWKG-SFHVURJKSA-N 271.404 4.556 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCCCC23CC3)C1 2182364562 MHCOBKZFZYIAKF-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SC[C@@H](C)CC)CC(C)(C)C1 2183514344 UUQDRWYUGUETSM-YQQAZPJKSA-N 296.524 4.606 30 10 CJEE CCCCCCCC[C@H](NN)C1CC2(C1)CC21CCC1 2184066211 NLTWTEIEROFFTM-PQUAAJSLSA-N 278.484 4.539 30 10 CJEE C=C(C)CN(C(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2186472770 SENUTOHKQZTWOM-BRWVUGGUSA-N 276.468 4.627 30 10 CJEE 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C=CCCCCC[C@@H](N)c1csc(Cl)c1OC 2248542154 WOBWLEMYRCKVMG-LLVKDONJSA-N 273.829 4.546 30 10 CJEE C=CCCSc1c(CNCCC)sc(C)c1C 2250014452 APZVVTAJESSBHD-UHFFFAOYSA-N 269.479 4.533 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(C)ccc1Cl 2250151831 JSIILFOPGOQEIQ-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cc(Cl)c(OC)cc1Cl 2255409356 RUUXJFMVCIFQSA-YMTOWFKASA-N 288.218 4.604 30 10 CJEE C#C[C@H](c1cc2sccc2s1)N1CCCCCC1 2258113732 NZOODHUMOGEWGX-GFCCVEGCSA-N 275.442 4.513 30 10 CJEE C#C[C@@H](c1cc2cscc2s1)N1CCCCCC1 2258117287 IQLVKDWHZJBBCR-ZDUSSCGKSA-N 275.442 4.513 30 10 CJEE FC(F)(F)C1CC(CSC[C@H](CS)C2CCC2)C1 2259120719 OGZQESPPPXQJDO-ZYXZCXLHSA-N 298.439 4.654 30 10 CJEE C=C(C)CCCC[C@@]1(N)C[C@@H](C)Sc2sccc21 2259177101 UXYYZEZHEQBTQE-IUODEOHRSA-N 281.490 4.923 30 10 CJEE C=C(C)CCCC[C@](C)(O)Cc1ccc(Cl)cc1 2259212579 WKYGIZMBHGAEFW-INIZCTEOSA-N 266.812 4.770 30 10 CJEE C=C(C)CCCC[C@@H]1CCCC(F)(F)[C@@H]1NCC 2259231709 OCKFIMWOMMSTLW-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE N#Cc1ccc(Oc2cc(Cl)sc2C=O)c(Cl)c1 2259943878 KJUDSDOHAXQYKA-UHFFFAOYSA-N 298.150 4.531 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)c(O)c(Cl)c1 2264192221 HYUNDBBJSXNPBN-UHFFFAOYSA-N 288.218 4.533 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264988573 IGBFOJPKGJJPQJ-MCIONIFRSA-N 279.390 4.914 30 10 CJEE C=CC[C@](C)(NCC[C@H]1CCCCC12CC2)C(F)F 2264994847 JBZLGQXSIKFCSA-HIFRSBDPSA-N 271.395 4.536 30 10 CJEE C=CC1(CNCC[C@@H]2CCCCC23CC3)CCCC1 2265003312 KKQABNWAOPHNBH-INIZCTEOSA-N 261.453 4.683 30 10 CJEE C=C([C@H](NCC)c1ccc(CCC)cc1)C(C)(C)C 2268209059 BWDMCYXQVAAERV-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE CC(C)(C)C#CC=CCCC(=O)c1ccc(Cl)cc1 2268736468 NCNSWJCTCRFDMQ-UHFFFAOYSA-N 274.791 4.909 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCC(C)C 2268740679 CWMIFKQHOPLIFU-KRWDZBQOSA-N 263.469 4.787 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@]1(C)COC 2269304104 POBODFDKXKMTLS-YESZJQIVSA-N 270.457 4.551 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(CC)ccn1 2270034282 KMMJZGIQFSTLQB-QGZVFWFLSA-N 263.425 4.602 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CCCC(F)(F)C1 2271753027 KRPIJUBMTXRFPK-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2271792885 YHRRAYYDASBZOE-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE COCCCCCC[C@]1(C#N)CCCCC12CCC2 2271916394 LSAAMVYYJLEELJ-QGZVFWFLSA-N 263.425 4.838 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1SCC1(C(F)(F)F)CCC1 2274554755 AKVVLXHXFCQWOR-RYUDHWBXSA-N 291.382 4.925 30 10 CJEE CCCCCCC[C@@H](CCC(F)(F)CC)OCCN 2276562827 ALYHCIJRZJKLFS-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CCCCCCC[C@@](CC)(OCCN)C1CCCC1 2276764399 LYSDJYLJFZPCHI-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CC=C(CC)C(=O)[C@@](C)(O)CCCCCCCCC 2278178911 SQIAVYGJFITTHI-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CCC(C)C 2278245856 XJEZFEFKDGREGU-DLBZAZTESA-N 271.489 4.642 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279633546 MJCJKGLTXDZFRN-AJNGGQMLSA-N 291.401 4.936 30 10 CJEE CC1(C)C[C@@](C=O)(CC[C@H]2CCCCC23CC3)CCO1 2279648215 HFYYAOLNPWUMMW-NVXWUHKLSA-N 278.436 4.511 30 10 CJEE C=C[C@](N)(c1cccc(-c2ccccc2)c1)C(C)(C)C 2285330289 QMTOLLKIDCMAIU-IBGZPJMESA-N 265.400 4.740 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287409637 XGFYHJBLEVJMHC-QKPAOTATSA-N 285.422 4.912 30 10 CJEE C=C(C)CCCCOc1cccc(C=CC(=O)O)c1Cl 2287417647 GOHNJVCHLWWNHJ-UHFFFAOYSA-N 294.778 4.563 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1c(F)ccc(F)c1F 2287466376 OZIBTLFVFFHPIB-CQSZACIVSA-N 285.353 4.891 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H]1CCCC12CCC2 2289699546 CHRMPQVUKFFTPL-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](N=C2N[C@H](C(C)(C)C)CS2)C1 2290304844 JQDFRBXHTNEXJI-STQMWFEESA-N 296.524 4.698 30 10 CJEE CCC[C@@](C)(C=O)CN(C)[C@H]1CC(C)(C)CCC1(C)C 2290341921 ZOSJRKZNJASDSB-MAUKXSAKSA-N 281.484 4.528 30 10 CJEE C=CCCCCCC[C@](CC)(CCC)OCCC(=O)O 2291286744 SUAGMEJDZCOWQA-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@]1(OCC(=O)O)CCCCC[C@@H]1CC 2291465201 NDOPZFVXCMPJIF-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)C1CCCC1 2291643867 NMUQWVXZOWCMNE-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1CC[C@H]1C)OCCN 2292628544 IAFKAPHIVDWKMV-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](CC#CC(C)(C)C)OCCN 2292900507 WBNRALHIHQXING-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE O=C(C=Cc1cc2ccccc2o1)c1cc(Cl)ccc1O 2293224408 NECZRHFDZKIJMW-UHFFFAOYSA-N 298.725 4.688 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1CC[C@H](C)C1 2293322825 QTGVVLLHQWQIEN-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)CC[C@H]2C[C@H]21 2293459380 LQOOUZAUAMXSKS-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CCCCCCCCCCC1(OCCN)CC=CC1 2293738712 CSUVDTABIIKQKU-UHFFFAOYSA-N 279.468 4.747 30 10 CJEE CC1=CCC[C@@H](Cc2c(C)c(C)c(C)c(C)c2C)C1=O 2294728290 ZUYHJUYXKXLFFT-KRWDZBQOSA-N 270.416 4.697 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(C)(C)F)C(=O)O 2295595688 BLZAWFFOURVEME-MRXNPFEDSA-N 290.419 4.735 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ncccc1F 2295673811 LBOWHWJBALGKGC-HNNXBMFYSA-N 280.431 4.840 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCCN(CC)C1 2295691848 PXQXGZMLKDGTFO-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1ccc(Cl)c(Cl)c1 2298823702 FTFNASXAGCZLIZ-RNCFNFMXSA-N 290.259 4.691 30 10 CJEE CC(C)CC(CC(C)C)OCCCCCCS 2298923929 KRQSGFSYWOKSOA-UHFFFAOYSA-N 260.487 4.954 30 10 CJEE C=C([C@@H](N)c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2307613555 NBEPJGUJJXEXTC-CYBMUJFWSA-N 272.219 4.904 30 10 CJEE CCCCCCCN[C@H]1C[C@@H]2CCCCCC[C@@H]21 2309185406 WYNKVOJLWSTBSV-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(F)F 2312117634 DRAXIIKYKSTWRD-MGPQQGTHSA-N 260.368 4.555 30 10 CJEE C=CCC(CC=C)Sc1csc(CNC2CC2)c1 2313697320 CIMFLVYNEGRUOG-UHFFFAOYSA-N 279.474 4.613 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(Cl)c(F)c1 2315352318 ZPEMFMGODFVJFT-KGYLQXTDSA-N 265.759 4.913 30 10 CJEE CCCCCCCCC[C@H](N)C#Cc1cccs1 2316334627 BVECUNORJLRNDZ-HNNXBMFYSA-N 263.450 4.568 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cccc(Cl)c1F 2316749790 NREIZKGRKLTOST-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE CC1=C(C)C[C@H](Nc2ccc(C#N)cc2Cl)CC1 2320375443 SDHOQIOFBDKWKC-CYBMUJFWSA-N 260.768 4.512 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC(C)(F)F)NCC 2321099602 TYCPBDCFERHNIN-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C(F)F)cc1 2321129591 CDGDICHYPQZOSO-HNNXBMFYSA-N 252.304 4.799 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C2CC2)s1 2321137489 KMOSFVAJQNJOAT-HNNXBMFYSA-N 263.450 4.878 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1CCCCCC1 2327095071 CPXXFXKQDMDIOC-INIZCTEOSA-N 271.514 4.623 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CC[C@@H]1SC 2327890469 MELGGTZZUPWHDY-HOTGVXAUSA-N 270.482 4.940 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329177017 QJPQDMHXLFCLAL-TUVASFSCSA-N 274.395 4.779 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2332724643 RQTUYXWYNCZRIK-DZJNRPSUSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(Cl)cc1[C@H](C)N 2338701741 HASIDAFWYUXSCV-LBPRGKRZSA-N 279.811 4.568 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCC[C@H]1C(C)C 2338733150 PKRXOAGICLBBMS-BZSNNMDCSA-N 263.469 4.805 30 10 CJEE C#CCCCCCCN[C@H]1C[C@@H](C)Sc2sccc21 2338810030 LKWFKGOWZFGDBK-HIFRSBDPSA-N 293.501 4.847 30 10 CJEE C=CCCCCCCN(C)[C@@H]1C[C@H]2C[C@H]1CC21CC1 2339465961 HDCNNBNBQAFVOF-GVDBMIGSSA-N 261.453 4.633 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(F)ccc1C1CC1 2341791494 ZBQOQVFYGNYAJP-QGZVFWFLSA-N 261.384 4.839 30 10 CJEE C=CC[C@@H](NCC)[C@H](c1ccccc1)C1CCCC1 2342353009 FXHHMDOPPXUORE-QZTJIDSGSA-N 257.421 4.515 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(C)cc1SC 2342389560 YAKVTUOGTXTZAG-ZBFHGGJFSA-N 275.461 4.724 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@](C)(C#N)c1ccccc1 2343372152 RULLXTBISJXSLK-QGPMSJSTSA-N 255.405 4.930 30 10 CJEE C=CC(C)(C)CCNCc1cccc(C2CCC2)c1 2343714487 XJTFEELTKAFQLH-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C(F)(F)F)CCC1)NC 2344339173 GVPBCXKHUJZKCL-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCCC2(CC2)C1)NC 2344341870 FQQINZMDJOEJRT-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCCC[C@H]1C2)NCC 2344342951 MMHLRUHPLCUKPV-XSLAGTTESA-N 263.469 4.927 30 10 CJEE N#C[C@H](Nc1ccccc1)c1cc(F)c(Cl)cc1Cl 2349919449 YKQCRDDHKLAORF-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@@H]2CCC[C@H]2C#N)c1Cl 2353042802 RLSMYHSXMCTEPS-COPLHBTASA-N 297.229 4.645 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@]12CCC[C@H]1OCC2 2354039015 WVWNQKHGFJGXSA-KZNAEPCWSA-N 282.468 4.837 30 10 CJEE CC#CCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC 2357453694 MDUURVOLZNQTBA-NCXUSEDFSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NN 2359623935 RAKRUCFKDJWBNJ-MHORFTMASA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CCC[C@H]1C)OCCN 2360061394 BWGZIKHWFXFFJU-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@@H]1C(=O)O 2360198345 HJYDHAFXEHACOJ-CWRNSKLLSA-N 296.476 4.910 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2)ccc1C(C)C 11802176 KJMUWYZXYOGDTE-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2Cl)c(F)c1 36886474 LBZNYAXWIGMXRW-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1cccc(OCCCC#N)c1 37777420 NCBKVMKQMOKVRM-CVEARBPZSA-N 288.435 4.996 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccccc1C(F)(F)F 37938034 SAXZPPKVCHVRHE-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 49028851 JSHXFKZUUSGKET-YQQAZPJKSA-N 290.476 4.677 30 10 CJEE CC[C@H](Nc1c(C#N)cnc2ccccc12)c1cccs1 49531272 YJBSCENBMBCIAD-AWEZNQCLSA-N 293.395 4.731 30 10 CJEE Cc1cc(C)c(CN(CCC#N)c2ccccc2)c(C)c1 53300022 WSUQVPYEUKHDNY-UHFFFAOYSA-N 278.399 4.532 30 10 CJEE CC(C)c1ccc(N[C@@H](CC#N)c2ccccc2)cc1 55015288 NOMDWKIYVGTPHU-SFHVURJKSA-N 264.372 4.877 30 10 CJEE CCCCCCCCCCCCNC(=O)C(F)(F)F 59895228 GDHYSHGLRHWHDX-UHFFFAOYSA-N 281.362 4.586 30 10 CJEE CCCc1ccccc1/N=C1/N[C@H](c2ccccc2)CS1 63002502 QYZGQFLTTMBSBH-KRWDZBQOSA-N 296.439 4.704 30 10 CJEE CC[C@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 86097222 ZVCIBKCIARTHPL-ZETOZRRWSA-N 296.336 4.814 30 10 CJEE CCC(C)(C)C1CCC(O)([C@]2(C#N)CC[C@H](C)C2)CC1 91875966 KXSPOUBQHMNMIW-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2csc3ccccc23)C1 91883268 YLHJXLRSKPJJJK-JLZZUVOBSA-N 285.412 4.655 30 10 CJEE CCN(CC)CC[C@@](C#N)(c1ccccc1)C1CCCCC1 95817850 VGUTXEYVDQAZOT-HXUWFJFHSA-N 298.474 4.760 30 10 CJEE C=CCC[C@@H](NCCC)c1cc2cc(C)ccc2o1 97220529 CARAAJPHBYMBKC-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(OCCC)cc1CC 107661448 HPTHYHRLGCZJRK-CABCVRRESA-N 258.405 4.801 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1NCC 110081433 NDSYHOCKWGGVOJ-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@@H](NC)c1ccccc1 110081447 FPUSQCIOGSINFQ-OALUTQOASA-N 291.479 4.959 30 10 CJEE C[C@H]1CCCC[C@H]1N(C)c1ccc(C(F)(F)F)cc1C#N 110256563 GGYZFTONDKDCHJ-SMDDNHRTSA-N 296.336 4.592 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(Cl)cc2C#N)cc1 110381861 OMMNWFJFHKLUMZ-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE CC/C(=N/O)c1ccccc1O[C@H]1CCCC[C@@H]1CC 111780296 IEJAZZFSJCAEPK-UNEBZWGCSA-N 275.392 4.623 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1[N+](=O)[O-] 125300313 PQKVLUFIQULCOY-UHFFFAOYSA-N 285.771 4.988 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)[C@@H]2C)c1C#N 127074050 CBFGVQMYXVWGPP-MBNYWOFBSA-N 274.433 4.517 30 10 CJEE CCCCCCCCOCC1(CS)CCCC1 127158459 BGEJZSVFYNKECZ-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE CCCCc1ccc(Nc2c(F)cc(C#N)cc2F)cc1 127429792 PSJCSMUMHQYVEA-UHFFFAOYSA-N 286.325 4.923 30 10 CJEE CCCCCCCC[C@@]1(O)CCc2ccc(OC)cc2C1 129711389 SDKPQKMROIOMCX-LJQANCHMSA-N 290.447 4.666 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(C#N)Nc1cccc(Cl)c1 156059222 QOLZOMAMFFZIMH-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C=CCC[C@H](NCc1ccc(COC)cc1)c1ccccc1 158810887 SCGJKPNIRJUREP-FQEVSTJZSA-N 295.426 4.630 30 10 CJEE CCCCCCC[C@@H](Cc1cc(Cl)ccc1OC)NC 161999126 LXXDTKYBEWIRNS-INIZCTEOSA-N 297.870 4.840 30 10 CJEE Cc1cccc(C)c1Nc1ccc(C(F)(F)F)c(C#N)c1 164397273 IMVQYONMSFAUDZ-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 216315573 LWJSMOASKZOHCR-CWQOZTLDSA-N 263.469 4.761 30 10 CJEE CC(C)CCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222801956 RGBNYLVUNJNRJY-SOLBZPMBSA-N 290.495 4.851 30 10 CJEE CC(C)(C#N)CCCCNc1cc(F)ccc1Cl 231818177 GFQCDLOZOKRFFB-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE C=CCCCCC[C@@H](NC)C1(c2ccccc2)CCC1 234446121 WHXIFMKDVDMQSV-GOSISDBHSA-N 271.448 4.833 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1cc(F)ccc1C#N 235786926 NVBFHSCFHMNDAQ-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCC[C@H](O)c1cc2cc(C)ccc2o1 235881264 PXVQZUOVYZIIDI-HNNXBMFYSA-N 258.361 4.911 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NCC[C@H]1C 250801491 CWFANJIYCZPHLO-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CC(=NO)c1ccc(OCc2csc3ccccc23)cc1 252458798 FXIBBSDEQKTDEX-UHFFFAOYSA-N 297.379 4.679 30 10 CJEE CC(C)(C#N)Cc1ccc(F)c(-c2ccccc2F)c1 260581640 OPGNCPZDEJWOMN-UHFFFAOYSA-N 271.310 4.724 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](C)C[C@H]1C 300525393 XXBUXRWXQXCGFV-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE C=CCCCCNCc1ccc(OCc2ccccc2)cc1 309743436 SQYVLAKHGPYVDD-UHFFFAOYSA-N 295.426 4.712 30 10 CJEE 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10 CJEE C=C(C)CCCCN(C)Cc1scc2c1CCCC2 2271837546 VHMIISSINNLQGS-UHFFFAOYSA-N 277.477 4.805 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C(=O)O 2271837780 XPVFFSRQJHPSRX-XHSDSOJGSA-N 266.425 4.896 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](O)(CC#CC2CCCC2)C1 2274171342 MLTMOLXRYGHHQG-WMZOPIPTSA-N 262.437 4.538 30 10 CJEE CCCCCCCCCC[C@H](CCSC)OCCN 2276667423 AAIJSSVZEJZTGB-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE SCCCCCCCOC[C@H]1C[C@@H]1c1ccccc1 2277456155 RQNNGLJFVABLOI-IAGOWNOFSA-N 278.461 4.687 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccsc1C#N 2277464391 YOPYBZJBFRBOHB-BPLDGKMQSA-N 277.433 4.597 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C2C3CC4CC(C3)CC2C4)C1 2277567866 PAKKHDIMGAOSIF-OGDRVSEWSA-N 257.421 4.779 30 10 CJEE O=CC1(C2C3CC4CC(C3)CC2C4)CCCCCC1 2277612425 OHMVTEHXYQKYJU-UHFFFAOYSA-N 260.421 4.598 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)c(F)c1)NCC 2277906008 WYYSKWTXKGCRBU-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC(C)(C)[C@@H](C)N 2278170563 CRPLJJPXUATLRL-NVXWUHKLSA-N 271.489 4.642 30 10 CJEE C=C1CCC(C[S@@](=N)(=O)C[C@H](CC)CCCC)CC1 2278346763 GMMDMAQNUTVPQK-BEFAXECRSA-N 285.497 4.996 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CC1(C)CC(C)C1 2279454215 ZEBDIESZYSGJFH-UMQBVGHOSA-N 283.500 4.642 30 10 CJEE C=CCCCCCCCCN1CC[C@H](OC)CC12CC2 2280571476 BXISUSSJOZFQKL-KRWDZBQOSA-N 279.468 4.547 30 10 CJEE C=CCCCCOc1cc(C)c(CNCCC)c(C)c1 2282963325 BKYNAPVLZGNQDB-UHFFFAOYSA-N 275.436 4.538 30 10 CJEE CC(C)(C)C#CC=CCNC1CC(C)(C)CC(C)(C)C1 2284112661 ODVQCSWJVZDEBI-UHFFFAOYSA-N 275.480 4.787 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C[C@H]1CCCC12CC2 2284169237 JELWLBNUBUTFCE-SJORKVTESA-N 273.464 4.541 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CC12CCC2 2284172047 XUJMUPHQYGVBIO-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCCCC2)cc(C)c1C 2286119295 DIMUWYHIVHVUHZ-KRWDZBQOSA-N 270.420 4.744 30 10 CJEE C=C(C)CCCCOc1cccc(C[C@@H](N)CC)c1Cl 2287409376 TXOTXZVHALZWSQ-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCOC(C)(C)C1 2287466499 HKPZUCUNYWTEPL-SFHVURJKSA-N 281.484 4.696 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1(C)CC2(CCC2)C1 2289688219 SHSHUGNJXVOJDB-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@]1(O)CC(C)(C)CCC1(C)C 2290270708 YZPBQUOZKIQXQW-JLSDUUJJSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H](C)C1CC1)OCCN 2292956101 WAOOBJGWFIIBGY-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)C1(OCCCN)CC(C)(C)C(C)(C)C1 2293345076 JOFLPFPYMIRGKO-UHFFFAOYSA-N 281.484 4.539 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCC[C@@H](C(C)C)C1 2293349619 SUNUHCDEQAIAJJ-AEFFLSMTSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC1(OCCCN)CCC(F)CC1 2293407064 FEQUIXQOXXBXJG-UHFFFAOYSA-N 287.463 4.753 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC[C@@H]1C1CC1 2294342226 JMKNFBZYSXSJJH-QZTJIDSGSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCCCC[C@@H]1C(C)C 2294549778 ZRXAKQDRQKSXLM-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE N#Cc1sccc1CNc1cccc(C2CCCC2)c1 2294734858 YCIYAWWDAMUZFZ-UHFFFAOYSA-N 282.412 4.889 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(NC)C1CCCC1 2295711919 SNQOLXNHPSAFAR-WBVHZDCISA-N 296.524 4.608 30 10 CJEE CCOc1ccccc1C=CC(=O)c1ccc(SC)cc1 2297466655 JJEXFXHXNVCUDE-UHFFFAOYSA-N 298.407 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(Br)c1 2304039927 CDNUXCNGNWDCMY-CABCVRRESA-N 296.252 4.702 30 10 CJEE CC(C)(C)[C@](C)(CS)CSC1CC(C(F)F)C1 2307094761 SXVANYXHJDOKHS-SRHKJQAYSA-N 282.465 4.746 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2309562394 BQYNXLYOSNTYNG-OVYGPGRDSA-N 250.426 4.534 30 10 CJEE C=CCC(CC=C)S[C@H](CC)[C@@H](CCC)NCC 2313529059 KPUKWSOMGVJLKS-HZPDHXFCSA-N 269.498 4.797 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(CC(F)(F)F)cc1 2315141087 IJFJBXXNGXWBOU-LLVKDONJSA-N 258.283 4.525 30 10 CJEE CCCC[C@@](C#N)(CC)CC(C)(C)[C@@H](O)C(C)C 2318033100 OPFGDIUCEVWSPC-HOCLYGCPSA-N 253.430 4.530 30 10 CJEE C=C(C)C[C@H](Cc1cccc(Cl)c1C)NCCC 2319289226 QSSDLUYNSCFHQA-OAHLLOKOSA-N 265.828 4.525 30 10 CJEE CCCCCCC[C@H](O)CC[C@@H]1CC[C@@H]1C1CC1 2319605223 GQMIWFSVXGNPFH-IXDOHACOSA-N 252.442 4.924 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC[C@H](C)CC1)NC 2321104128 DABKKUMJSSJQOK-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)C(=O)CC1CCC(C(F)(F)F)CC1 2321170231 QKHFGZHARUTRHA-UNXYVOJBSA-N 262.315 4.527 30 10 CJEE CC1(C)CC[C@H](CC[C@@]2(C=O)CCCC2(C)C)C1 2321640556 WFGCTKXPYDGJPX-RHSMWYFYSA-N 250.426 4.988 30 10 CJEE C=CC1(NCc2cc(F)c(Cl)cc2Cl)CCCC1 2325186326 LIEROBCFXIJGLW-UHFFFAOYSA-N 288.193 4.721 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H]1CCCC(F)(F)C1 2327111572 CGBWCRJUOGMLSW-WCQYABFASA-N 280.424 4.563 30 10 CJEE CN(CC=CC#CC(C)(C)C)Cc1ccc2ccccc2c1 2333105989 FMMRYPSASRYXIN-UHFFFAOYSA-N 291.438 4.877 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 2333961183 ZCHZGEWMESTDDY-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccc(C)c(C)c1 2335207096 PZEYHYOQUYSHBM-NVXWUHKLSA-N 277.477 4.652 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC[C@@H]1CNCC(C)C 2338667739 SVBOXKYRNDIFPQ-QZTJIDSGSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H](C)C(F)(F)F)NCCC 2338731837 DKDCAXSWTTZMIU-OCCSQVGLSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(Cl)c(F)cc1F 2338737545 FHSOWFWQDXYWRZ-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc2cc(C)ccc2o1 2338738454 MNOPHESYWDEODD-QGZVFWFLSA-N 255.361 4.509 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)[C@H](C)C(C)C 2340255543 JAGDYHWAWRGQNT-NVXWUHKLSA-N 270.457 4.739 30 10 CJEE C[C@H]1CC(C#N)(CCCC2=CCCCC2)C[C@H](C)O1 2341049449 ZEOBRHUTJRASNM-GJZGRUSLSA-N 261.409 4.754 30 10 CJEE C=C1C[C@H]1[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCCC 2341882121 BICZBZPAUCAIQI-MHORFTMASA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C)S[C@@]1(C(=O)O)CC(C)(C)CCC1(C)C 2352223598 MHAJZBKEUBQFAQ-MLGOLLRUSA-N 284.465 4.744 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCCC[C@H]1C(C)(C)C 2352226489 VZWOPMSLLAJTTN-HEHGZKQESA-N 284.465 4.744 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)[C@@H]2C[C@H]2C(C)(C)C)CC1 2357840367 PYJWCBLKDBURIF-ZXFNITATSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NC)[C@@H](C)CC1CC1 2360331403 TVIGSJNVWQSJNC-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE N#Cc1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 31945982 UKKKAIKRTPCJAM-UHFFFAOYSA-N 298.389 4.765 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@](C)(C#N)NCCC 45323931 WYUCZLKQXJNACQ-QZTJIDSGSA-N 296.499 4.814 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCC1)c1c(F)cccc1Cl 53714802 UQQXZJQWDDEBGL-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE Cc1ccc(C)c(C[C@H](C#N)c2ccc(Cl)cc2)c1 57759852 GGANCNRVERGUQJ-MRXNPFEDSA-N 269.775 4.807 30 10 CJEE CCCCCCCOc1ccc(CCC(C)=O)cc1 59089331 XOFVWCRDZRRZCQ-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CCCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] 59431165 NNCJJWWHGZYBGO-UHFFFAOYSA-N 270.760 4.631 30 10 CJEE C[C@@H]1CCC[C@@H](CCNc2cc(Cl)ccc2C#N)C1 70539643 CQYPFGKIAFFZAU-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 71159261 XIDQMLOUELDQPD-YOEHRIQHSA-N 270.420 4.868 30 10 CJEE CCCc1oc(-c2ccccc2OCC(C)C)cc1CC#N 77081316 AFFVHPVSRVXPQZ-UHFFFAOYSA-N 297.398 5.000 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426708 UNMNKQLYDCBUSL-MBNYWOFBSA-N 294.851 4.936 30 10 CJEE CCC1(CC)CC(C#N)(c2ccccc2Br)C1 86521071 WIPAFDGUYATPHO-UHFFFAOYSA-N 292.220 4.811 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)c2ccc(Cl)cc2)CC1 91877697 VVFDZGRWVXLPMX-PWZRNIHTSA-N 291.822 4.658 30 10 CJEE CN(CC1(CS)CCCCCC1)c1ccccc1F 94580704 XEDQJXFZYVFULK-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C(F)(F)F)c1F 94601309 KONNDBUEYARTED-CYBMUJFWSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCOc1ccc(C)cc1CO 104172417 UKGPABFEEUSUKC-UHFFFAOYSA-N 264.409 4.617 30 10 CJEE CCCCCCCCCN1C(=O)[C@H](C)Nc2ccccc21 104659928 VCFWPKRXCFSACC-HNNXBMFYSA-N 288.435 4.584 30 10 CJEE CCCCCCCCCCN1CCC([C@@H]2CCCN2)CC1 109688055 NFSPYBNEENLCFH-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCOc1ncc(CNCC)cc1Cl 110157851 OIPXFAQXXALLMU-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2)c(Cl)c1 110252837 WHWFKXNHALEMMD-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCC1(C)CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265601 PFKJFOJDNSXDTL-IKGGRYGDSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@H](Cc1cccnc1)NCCC 110916161 BDJPQUPAIQRWNP-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(OC)c(OC)c1 112942100 KEULJZAGOCQYPI-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE CC1(C)[C@@H](Nc2ccc(C#N)cc2Cl)[C@]2(C)CC[C@@H]1C2 112952633 BFOYVYYNDWLXFN-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCCC[C@](C)(F)[C@H]1CCCNC1 127031211 MUSLADTZPYWBFD-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE CCCCCCCCOc1c(C)cccc1/C=C/C(=O)O 128938731 JPFIBTLDAYFYPF-OUKQBFOZSA-N 290.403 4.832 30 10 CJEE CCCCCCCCC[C@H](Cc1cc(C)ccc1C)NN 131366233 TVUAXPNRTNPPPU-LJQANCHMSA-N 290.495 4.819 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cccc(SC)c2C#N)C1 136719297 HPHBXNBGIHYZAR-QWHCGFSZSA-N 275.417 4.628 30 10 CJEE CC1(C)CCC[C@@H](Nc2cccc(Cl)c2C#N)C1 149831615 HBFLKZDVRNDNAZ-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](CCC)OC 158218766 SPQYDPAICUUGBX-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCNCc1ccc2c(c1)CCCN2C 159138223 NIVKGOHIOSOELY-UHFFFAOYSA-N 288.479 4.519 30 10 CJEE C=C(Br)CN[C@H](C)c1ccc(CCCC)cc1 161377236 MGAKYHBWGSQZTK-CYBMUJFWSA-N 296.252 4.588 30 10 CJEE CCCCCCCCCCCCN[C@]1(C)CCOC1 161700384 VPUMMTGGUJXBRP-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCC[C@@H](NC)C(F)(F)F 162352316 YXBXZIPAWJHNDZ-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CC[C@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1Cl 162971648 AAJRIZRCLYMNBK-BBRMVZONSA-N 277.795 4.697 30 10 CJEE N#C[C@@H](Sc1ccccc1Br)C1CCCC1 167879622 YIEYIEWPXUIOQZ-CYBMUJFWSA-N 296.233 4.624 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(O)cc1 168460678 PDYMAEQHVDGIIU-QGZVFWFLSA-N 264.409 4.956 30 10 CJEE N#Cc1ccccc1Oc1nc(Cl)c(Cl)cc1Cl 226483015 YXDQODLTYNNNKZ-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C=C[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 229324793 JJJBBGZTMHNALB-ZANVPECISA-N 258.192 4.609 30 10 CJEE N#Cc1cccc(Nc2cc(Cl)c(F)c(Cl)c2)c1 232039656 LIIUQTWLIJTXMR-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=C(CNC(C)(C)C)COc1ccc([C@@H](C)CC)cc1 232349257 NFDSTFKQNYMAEO-HNNXBMFYSA-N 275.436 4.523 30 10 CJEE CCCCCCC[C@@H](O)c1c(C)cc(C)cc1F 232925190 JHFFDLNEGBZFKF-OAHLLOKOSA-N 252.373 4.836 30 10 CJEE CCCCCCCCOc1ccc2cnccc2c1N 232946168 PVZIYAHZWKDIBG-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE C=CCCCCCOc1ccc([C@H](C)NCCC)cc1 233113177 JQJUGBDYOKCWRM-INIZCTEOSA-N 275.436 4.872 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CCO[C@H]1CC 300588225 DGEJQAMWTHHMKN-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1CC 300594374 GKZYJLRJICKRDK-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2csc(Cl)c2)c1 308112229 YSBCRCQOHDZSFG-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCC1(CC)CN(CCCCCCCCCS)C1 310869511 PNEZJRGVZKXCBB-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CC[C@@H]1CCCC[C@@H]1n1ccc2ccc(C#N)cc21 311267778 AUSZMOGDEUIPBC-ZBFHGGJFSA-N 252.361 4.654 30 10 CJEE Cc1sccc1CNc1ccc(C#N)c(C(F)(F)F)c1 312322357 GLVAXZLIJUINAB-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE O=CC1(Cc2sccc2Cl)CCCCCCC1 316678995 FJZIGIWFMVKXFJ-UHFFFAOYSA-N 270.825 4.874 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCCc2ccccc21 317192556 KJYDEIQYVYIHBX-SZVBFZGTSA-N 270.416 4.892 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 318084619 JWGDFDZTIWEGSF-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CC[C@@](C)(C#N)c1cc(Cl)cc(Cl)c1Cl 380113065 ORINXGGLVCCQRX-NSHDSACASA-N 262.567 4.838 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccnc3ccccc23)C1 383857009 XDYWODHQNZICKT-RDTXWAMCSA-N 264.372 4.596 30 10 CJEE C=CCC(C)(C)CN[C@@H](CC(F)(F)F)c1ccccc1 384024507 QHHYEQWQNFSMMW-AWEZNQCLSA-N 285.353 4.872 30 10 CJEE C=CCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 384171661 WSXVLHJBLNTUPF-HZSPNIEDSA-N 251.439 4.650 30 10 CJEE CCCCCCC[C@]1(F)CCC[C@H]1[C@@H]1CCCCN1 385929750 BGZAIPVLQQKFRI-ULQDDVLXSA-N 269.448 4.997 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@H]1C[C@H]2CC[C@H]1O2 386574857 RTEPIQYFJREPBT-XMTFNYHQSA-N 282.468 4.836 30 10 CJEE C=CC[C@@H](CNCCC)Cc1ccc(Cl)cc1Cl 386716868 YXYRVTZCZBGXSL-GFCCVEGCSA-N 286.246 4.728 30 10 CJEE C=CC[C@H](CNC(C)C)CC1CCC(C)(C)CC1 387293801 ZVIARZQMKZVNKK-INIZCTEOSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@@H]1CC(C)C 387640709 AXLFKOHHMZSWFY-BBWFWOEESA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCCC[C@H](N)Cn1ccnc1 395525287 LUWMUUDLZPSOEW-KRWDZBQOSA-N 279.472 4.521 30 10 CJEE Fc1ccc(SC(F)(F)F)c(F)c1C(F)F 396098243 JLUWTQWGTUVBAX-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CC1(C)CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396651844 KMHDHCCQIHSEOA-OUKQBFOZSA-N 264.218 4.535 30 10 CJEE Cc1cc(Cl)c(NC[C@H](C#N)C2CCC2)cc1Cl 397346526 JDIALKKVKVCGAK-NSHDSACASA-N 283.202 4.654 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1ccccc1C 401501993 PGGVDEOVHNMMSK-HLLBOEOZSA-N 256.393 4.516 30 10 CJEE CCC(C)(C)CCN(C)CC1(CS)CCCCC1 686219145 VFQUHOVQAHBLEV-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](C)CC(F)(F)F 686701305 QJXNXTKGUZGDMK-ZIAGYGMSSA-N 277.374 4.527 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@]1(C)CCOC1 687395898 WOWSCUNMFDNDOH-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H](C1)C2 697294950 FVHOWUNNKXIJGG-LLPLANCYSA-N 261.453 4.536 30 10 CJEE C=CCC1(Nc2nc(C3CC3)nc(Cl)c2C)CCCC1 700695386 FSALLGKUTYLEEQ-UHFFFAOYSA-N 291.826 4.617 30 10 CJEE CCCCCCC[C@@H](C)NCCC1SCCS1 703412337 NJWXXCQROVZNHG-CYBMUJFWSA-N 275.527 4.521 30 10 CJEE CCCCCCCCCC[C@]1(N)CCS[C@@H]1C 704956420 ALPYDADAVABZMR-CABCVRRESA-N 257.487 4.740 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCS[C@H]1C 704956429 ALPYDADAVABZMR-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC/C=C/c1ccccc1 709336261 ZDDVUOPDOCLQNS-PIKSBDKVSA-N 269.432 4.814 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 710616428 RNURJTLPQCMRCJ-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1csc2ccccc12 710679616 QWTZEYVGDDNTRD-CYBMUJFWSA-N 265.809 4.695 30 10 CJEE CC[C@@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1)C(C)(C)C 711159784 YGWMSNNYRLHDQZ-DZGCQCFKSA-N 291.822 4.979 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2ccccc2s1 715755875 HVXIGRVPNGHYOA-BLLLJJGKSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)C1(CNCC)CCC(CCC)CC1 715808272 SSBANWBCIWDFEV-GTPINHCMSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@@H]12 717660491 HNSPEYYCWFNGMJ-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CC1(C)CCCCC[C@@]1(C#N)NC1CCCCCC1 719198439 RRPQGUXIGRZGEV-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE CC1CCC(C#N)(C[C@@H](C)COCc2ccccc2)CC1 719625619 ROQFSMHVCJCJNU-TVRKMHQQSA-N 285.431 4.949 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CC[C@@H](C)C1 721562756 VXNVQOGSNPRZJU-ZIAGYGMSSA-N 258.471 4.708 30 10 CJEE C#CCCCCCC(=O)OCc1ccccc1C(C)(C)C 1127375013 KBFHAVPNUVSCFS-UHFFFAOYSA-N 286.415 4.611 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@H]2CCCC[C@H]2C)CCCC1(C)C 1128470599 XTTOROKRGOZLBP-ZACQAIPSSA-N 291.479 4.796 30 10 CJEE C=CCC(C)(C)CNCc1cc(OC)c2ccccc2c1 1178796407 ZQQJREWISFZVJG-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE C=CCN(Cc1ccccc1CC(C)C)C(C)(C)C 1196198781 SBDURHGQKYWHRY-UHFFFAOYSA-N 259.437 4.672 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cccc(F)c1F 1214948356 VTWZANWFOXXZPT-UHFFFAOYSA-N 296.361 4.613 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc([C@H](C)CC)c1 1279962486 KOIJHBWWVFNWNV-ZIAGYGMSSA-N 259.393 4.741 30 10 CJEE C#CCCCCCC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1289125376 VETVFZHLGBSTCX-OAHLLOKOSA-N 297.442 4.994 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 1357585942 ALXRZKZQBPLPCF-SJLPKXTDSA-N 287.447 4.677 30 10 CJEE C=CCCCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1459962431 MOSUBOVCRBIBFL-GOEBONIOSA-N 297.364 4.897 30 10 CJEE C=C(Cl)CN1CCC[C@]1(CC)CCc1ccccc1 1460709973 PYXGRGBVJGSTHL-QGZVFWFLSA-N 277.839 4.616 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Cl)c(C)c1 1461956108 FHKPMGYCZCEOBR-UHFFFAOYSA-N 265.828 4.827 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(Oc2cccnc2)cc1 1473450555 ZGOCSFAALQESJL-MRXNPFEDSA-N 296.414 4.881 30 10 CJEE C#CCC1(NCCc2ccc3ccccc3c2)CCCCC1 1473825022 ZIQARUVYYXSIMH-UHFFFAOYSA-N 291.438 4.698 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 1474208161 UFMPSKVQFBMGJC-XWSJACJDSA-N 269.432 4.515 30 10 CJEE C=CCC1(C(=O)NC[C@H](CCC)CCCC)CCCC1 1517874332 PSFJOAWNUXKPGZ-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCc1ccc(C(C)(C)CC)cc1 1520149923 DKHBWLDHBLUOQP-IBGZPJMESA-N 287.447 4.593 30 10 CJEE C=CCC1(CNC(=O)c2ccc(CCC)cc2)CCCC1 1525844945 IZPGSMNUEBYJDK-UHFFFAOYSA-N 285.431 4.505 30 10 CJEE C=CC1(CC(=O)NCC(CC)(CC)SC)CCCCC1 1531291203 MDULAEOVQWZYIV-UHFFFAOYSA-N 297.508 4.551 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)/C(F)=C/C1CCCCC1 1532325830 ZYOWZSUDWXXCRN-ZRPBFWNPSA-N 293.426 4.671 30 10 CJEE C=CCCC1(CNC(=O)CCCCC(C)C)CCCC1 1532340454 LMAAKMNRQAUCCU-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CC1(CC(=O)Oc2ccc(F)cc2C)CCCCC1 1534149395 NILHNKXWLCPQPX-UHFFFAOYSA-N 276.351 4.566 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCc2cccc3cccc1c23 1538336163 UBHXCRADJNTIAW-KRWDZBQOSA-N 293.410 4.546 30 10 CJEE C=CCC1(C(=O)Nc2nccc3ccccc23)CCCCC1 1556599943 UJGWSMBCIDOTNN-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C#CCCCCCCN1CCC[C@]1(C)Cc1ccc(C)cc1 1560040224 KPJLXANOJDBVAM-OAQYLSRUSA-N 297.486 4.976 30 10 CJEE C#CCC1(N[C@H]2CC[C@@](C)(c3ccccc3)C2)CCCCC1 1561020881 TYICXCDUZSLWCV-VQTJNVASSA-N 295.470 4.813 30 10 CJEE C=CC[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1565760468 DMABDRKNJUGRDY-CJNGLKHVSA-N 293.838 4.551 30 10 CJEE C=C(CC)CNC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1583839568 GMVVJYWRMQIGRE-INIZCTEOSA-N 293.838 4.552 30 10 CJEE C=C(C)c1cccc(Nc2nc(-c3ccccc3)ns2)c1 1613036246 FWSSYIMGVYZPAD-UHFFFAOYSA-N 293.395 4.982 30 10 CJEE C#C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ccc(F)cc1 1621355319 UTPLVLICEVBPRQ-KRWDZBQOSA-N 287.422 4.695 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2cccc(Cl)c2)C(F)F)C1 1621522554 FKHNLBKFMCKGSF-KCPJHIHWSA-N 299.792 4.981 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1ccc(C(C)(C)CC)cc1 1624446377 KQCQJKSVTPQGIO-UHFFFAOYSA-N 288.435 4.804 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(-c2cccs2)c1 1627538794 KGLCTQDPKAEANM-UHFFFAOYSA-N 285.412 4.956 30 10 CJEE C=C(CC)CSc1nc(C(F)(F)F)nc2ccccc12 1643541016 WADWMVPXVDUGRZ-UHFFFAOYSA-N 298.333 4.707 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccc(C)cc2)o1 1651088597 UYWHJDVCIMPPNS-UHFFFAOYSA-N 269.388 4.557 30 10 CJEE C=C1CCC(CNc2cc(Cl)nc(C3CCC3)n2)CC1 1651400770 IKHDXDSQNNCDKP-UHFFFAOYSA-N 291.826 4.556 30 10 CJEE C=CCn1c(SCCCCCC)nc2ccccc21 1652388766 XBEXIPZTLSYVGS-UHFFFAOYSA-N 274.433 4.895 30 10 CJEE C=CCN(CCc1ccc(F)c(F)c1)CC1CCCCC1 1652493645 QAWVERJITBNRJI-UHFFFAOYSA-N 293.401 4.576 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 1652641694 GQLFCEPRCUSTMN-BCUIYNNISA-N 293.813 4.669 30 10 CJEE C=CCCCCN1CCC(Cc2ccccc2Cl)CC1 1654538157 OBPDTHPBBQFMQO-UHFFFAOYSA-N 291.866 4.951 30 10 CJEE C#CCCCCCCN1CCC[C@H]1/C=C/c1ccccc1 1656315722 URMXTZLYQINHHW-APHAIJBRSA-N 281.443 4.748 30 10 CJEE C=CCC[C@@H]1CCCN1CCc1c(Cl)cccc1Cl 1660489513 MHZSKSQNSHKODY-CYBMUJFWSA-N 298.257 4.967 30 10 CJEE C=CCC[C@H]1CCCN1Cc1cccc(OCC(C)C)c1 1660489856 VOWHRMNHEAIGCQ-SFHVURJKSA-N 287.447 4.652 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CCC[C@H](SC)C2)c1 1660850385 RNMVTPQLTUZQBB-CVEARBPZSA-N 261.434 4.806 30 10 CJEE C=CCC(C)(C)CNCc1ccc(-c2ccc(C)cc2)o1 1662527439 IPNMXHQLZCKTLJ-UHFFFAOYSA-N 283.415 4.947 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cccc(CC)c1 1662648551 YXHRAJGIEYJHRA-HXUWFJFHSA-N 279.427 4.526 30 10 CJEE C#Cc1ccc(CNc2cccc([C@H](C)CC)c2)cc1 1662907562 IQEHDUULVPHOQX-OAHLLOKOSA-N 263.384 4.794 30 10 CJEE CCc1ccc(/C(C)=N/OCc2ccc(Cl)cc2)cc1 1857935963 LDRVWWKKOLMXGZ-CPNJWEJPSA-N 287.790 4.843 30 10 CJEE Cc1cccc(Cl)c1N=C1N[C@@]2(CC[C@@H](C)C2)CS1 1880888533 ZXVQNSHZKNHFPZ-MEBBXXQBSA-N 294.851 4.531 30 10 CJEE CCCCCCCCCN1CC[C@H](OC(C)(C)C)C1 1883434839 VKYKOMKUQQFLGP-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C=CC[C@H](C)c1cc(Cl)cc(Br)c1 1883971936 ZPQQCTREAWNYBS-QMMMGPOBSA-N 259.574 4.782 30 10 CJEE CCCCCCCCCCCCN1CC(OCC)C1 1884316068 JGIDYIZGFRMGJO-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE CC#CCCCC[C@]1(N)CCC[C@H](C(C)(C)C)CC1 1885368027 NVAGLPXBHWDHIA-WMZOPIPTSA-N 263.469 4.894 30 10 CJEE CC#CCCCCC(=O)c1cc2cc(F)ccc2s1 1885368166 PERZWNJRZHDEKJ-UHFFFAOYSA-N 274.360 4.807 30 10 CJEE C#CC[C@H](CN[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 1887364874 CWUGQBMYTKDWMJ-DGCLKSJQSA-N 296.241 4.694 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(C)cc(OC)c1 1893833503 SBUXUKQAPOZMJX-KRWDZBQOSA-N 264.409 4.572 30 10 CJEE CCCCCC#CCN(Cc1ccccc1)CC(F)(F)F 1902965186 WVVAOUBGDASSNE-UHFFFAOYSA-N 297.364 4.635 30 10 CJEE CC[C@H]1C[C@H](C)SC(=NCc2ccc(C(C)C)cc2)N1 1911826312 AIHOTOUEOUNEFH-BBRMVZONSA-N 290.476 4.560 30 10 CJEE CCCCCCCCCCCCN(C)CC1(O)CCC1 1914602704 OSHGBPXYYLFQEM-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC3(CCCC3)C2)CC1 1916399596 HCFSUKJCHYMENR-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CCC[C@@H](Nc1ncc(C#N)cc1Cl)c1cccs1 1917230860 OGJXZXTYQDIAPP-GFCCVEGCSA-N 291.807 4.621 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@@H](C)CC(F)F 1919883208 IJEWZDJYIXXVGC-GXTWGEPZSA-N 250.373 4.779 30 10 CJEE CCCCCCC[C@](C)(O)[C@]1(CN)CCC[C@@H](CC)C1 1920991828 LINJFZJJPQWBKW-FGTMMUONSA-N 283.500 4.643 30 10 CJEE CCCCCCC[C@]1(CNC)CCCC12CCC2 1921617791 YYLXVNBSOSVDMK-QGZVFWFLSA-N 251.458 4.907 30 10 CJEE CCCCCCCCCCN1[C@H]2CCC[C@H]1CC(O)C2 1922266614 WZLPXWAUTGGCDF-IRXDYDNUSA-N 281.484 4.505 30 10 CJEE C=C([C@@H](NCCC)c1cc2c(s1)CCC2)[Si](C)(C)C 1922868732 KPKDGUJXIJROJC-MRXNPFEDSA-N 293.552 4.711 30 10 CJEE C[C@H]1CC[C@H](C2CCC2)CN1CC1(CS)CCCCC1 1924187865 MCYDMKQRALYCTN-RDJZCZTQSA-N 295.536 4.767 30 10 CJEE N#C[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 1952293597 RSKWRDYYCLFSBH-SSDOTTSWSA-N 287.590 4.528 30 10 CJEE O=C[C@H](c1cnc2ccc(Cl)cc2c1Cl)C1CCC1 1952989163 MTBXRFLROMUWGM-ZDUSSCGKSA-N 294.181 4.624 30 10 CJEE N#C[C@]1(CCC=CBr)CCCCC12CC2 1962008509 PBBUOWUTUFHBAD-CYBMUJFWSA-N 268.198 4.539 30 10 CJEE C=C(C)CC[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1C 1964578088 ZHWKZGJPYAEBAY-RLFYNMQTSA-N 257.421 4.644 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Cl)o1 1996471521 UKUFRRAXADHFKJ-SMDDNHRTSA-N 255.789 4.576 30 10 CJEE C=CC1(CC(=O)c2cc(Cl)cc(Cl)c2)CCC1 2002613160 MUCANUDXDJJVDQ-UHFFFAOYSA-N 269.171 4.923 30 10 CJEE C=CC1(C[C@H](N)c2cc(Br)ccc2C)CCC1 2002639935 WBTRQSVWJLPJPJ-AWEZNQCLSA-N 294.236 4.504 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2011354875 RHXVISKTPZPNPP-CYBMUJFWSA-N 276.182 4.907 30 10 CJEE CCCCCCC[C@@](C)(N)c1sc(Cl)nc1Cl 2019849022 ILQVGWYQIJSFIU-GFCCVEGCSA-N 295.279 4.984 30 10 CJEE CCCCCCCCC[C@H](O)c1nc(Cl)cs1 2020251223 NYMDSQIJZUZYLO-NSHDSACASA-N 275.845 4.971 30 10 CJEE 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CCCCCCCCC[C@@H](C)N[C@@H](C)c1ncco1 2278246516 QJQJZIWJVXLXLC-CABCVRRESA-N 266.429 4.854 30 10 CJEE C=CCCC(=O)c1ccc2oc3ccccc3c2c1 2278318775 JUHXOXHVEBTCQH-UHFFFAOYSA-N 250.297 4.735 30 10 CJEE C[C@H]1CCC[C@H](CCN(CC#N)C2CCCCCC2)C1 2279817196 ZQURFTPTUYFBPH-DLBZAZTESA-N 276.468 4.751 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCC2(CS)CC(F)C2)c1 2280375068 UKYRPQDYJNQUEX-UHFFFAOYSA-N 296.451 4.719 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(F)cc(C)cc1F 2283511692 CMOHVDRODDWKAC-CXAGYDPISA-N 281.390 4.916 30 10 CJEE CC1(C)CC(CSc2nc3ccccc3cc2C#N)C1 2283789125 WWWMREYDYATRQH-UHFFFAOYSA-N 282.412 4.635 30 10 CJEE CCNC[C@@]1(CC=CC#CC(C)(C)C)CC[C@@H](CC)C1 2284077211 QCKOTRNFDHYANR-MJGOQNOKSA-N 275.480 4.788 30 10 CJEE Cc1cc(C)c([C@H](N)CC=CC#CC(C)(C)C)c(C)c1 2284086264 OTGSEYGUQMMVND-QGZVFWFLSA-N 269.432 4.607 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](N)(CC=CC#CC(C)(C)C)C1 2284098252 FRMHFCCBEACTKZ-HKUYNNGSSA-N 275.480 4.916 30 10 CJEE CCc1cccc(CC)c1NCC=CC#CC(C)(C)C 2284183180 NSMYGYPRDSYVGC-UHFFFAOYSA-N 269.432 4.829 30 10 CJEE C=CCCCS[C@@H]1CC(C)(C)C[C@@](C#N)(NCCC)C1 2287090059 OJYFFEKRPPHWJL-WBVHZDCISA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccccc1OC(F)(F)F 2287465381 JZDUIICGZBNKQT-CYBMUJFWSA-N 288.309 4.755 30 10 CJEE C#CC1(NCC(C)(C)C2CCCC2)CC2(CCCC2)C1 2288183728 GLMXYQROFDNKBL-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE CCCCCSCC[C@@H]1CCCC[C@]1(C#N)NCCC 2288870575 HMVXVAQTRZBMIL-DLBZAZTESA-N 296.524 4.752 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@@]12CCC[C@H]1CC2 2288942155 SYGRVMYTGVBCAG-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCC1)C1(C)CCC(C)(C)CC1 2289712336 NMHLNNVUSIGHQZ-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H](CC)C(C)C 2291631915 CHEOINSKQJBDPD-HOTGVXAUSA-N 286.456 4.889 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCCC[C@@H]1CC 2292714669 RTXQGXFAAJMNKE-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=C(C)C[C@@]1(OCCCN)CCCC2(CCCCC2)C1 2293064205 LVBJYORPONEYBO-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC(F)(F)C1)OCCN 2293207339 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CCCCC[C@@H](CC)N(C)C[C@@H](CS)CC(C)C 2328532857 RHGSJRLUYANSIH-JKSUJKDBSA-N 273.530 4.869 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330292131 RVXUENVPULNFSB-ADHGMGHFSA-N 264.453 4.924 30 10 CJEE CCCN[C@H](C#CC1CCC1)C[C@H](C)CC(C)(C)C 2337426184 BFMVGSFFVMDONP-DOTOQJQBSA-N 263.469 4.621 30 10 CJEE CCC#CCNC(C1CCCCC1)C1CCCCC1 2338381611 KIZSUYLPDCEOAZ-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@]12CCC[C@@H]1C2)NCCC 2338731972 FHSCFXJKTQQXOH-SQNIBIBYSA-N 261.453 4.703 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(F)c(C)c1Cl 2338775230 GYAYDZRCGMULQO-WFASDCNBSA-N 281.802 4.794 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)CCCCC1CC1 2341407313 QIBUEZBOZFIWKU-KRWDZBQOSA-N 279.544 4.596 30 10 CJEE CCC(CC)(CS)CSC[C@@H](OC)c1ccccc1 2343668839 AJVULJCUIOGGNO-OAHLLOKOSA-N 298.517 4.844 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc2cccnc2s1 2344384640 MJSSENXZZPUYLP-AWEZNQCLSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2344410967 DCDLMPHYRJLVJC-YFHUEUNASA-N 260.421 4.930 30 10 CJEE C=CCCCCCCN(C)C[C@H]1C[C@@H](C(F)(F)F)C1 2352909826 YVWROVLFTIYQRW-OKILXGFUSA-N 277.374 4.643 30 10 CJEE CN[C@@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cc(C)cc1Cl 2353060144 XTRBCDWGGZVEPS-RISCZKNCSA-N 296.241 4.612 30 10 CJEE CC1(C)C[C@@H](C2(C#N)CCC(C(C)(C)C)CC2)CO1 2353415725 NBYKSSQGMZIOGV-XOYHFGRZSA-N 263.425 4.548 30 10 CJEE CC#CCC[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354877287 LSIMIWLCRLTQJR-INDMIFKZSA-N 275.480 4.765 30 10 CJEE C=CC1(C[C@@H](C[C@@H]2CCC[C@@H]3C[C@H]23)NCCC)CCC1 2355641551 JVCUJFYXAWMECP-BSDSXHPESA-N 275.480 4.927 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H](OC)C[C@@H]21 2357064865 BHMFTGOTVOFEKV-XLAORIBOSA-N 282.468 4.693 30 10 CJEE C=CCCCCCCCN(C)[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2358670691 ZEBGBAHTTRRRMQ-HVMFNXBNSA-N 275.480 4.879 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@]12C[C@H](CO1)C2(C)C 2359791748 SOXFAYBSBREIIL-NUJGCVRESA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2c(F)cccc2s1 2360212980 NMQZISGMBLITKZ-UHFFFAOYSA-N 290.359 4.718 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@H](C)CC1CC1 2360326833 JMRDLVQLZXHOAZ-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C[C@@H](C#N)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 11834657 YJPVWFJHORISOQ-ZDUSSCGKSA-N 259.393 4.691 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(C#N)cc1F 20514322 KYQSTRIJRYOTFP-ZDUSSCGKSA-N 263.356 4.573 30 10 CJEE COc1ccc(Cl)cc1/N=C/c1c[nH]c2ccccc12 40570813 GIIGEAKDIBQSMK-VXLYETTFSA-N 284.746 4.581 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2c(c1)C[C@H](C)O2 59284759 SNOBBQVXTMRZGP-YOEHRIQHSA-N 275.436 4.631 30 10 CJEE CCCCCCCCOCC(=O)c1coc2ccccc12 59526221 QTGJZAXFYOIDQL-UHFFFAOYSA-N 288.387 4.993 30 10 CJEE Cc1ccc(Oc2nc3ccccc3cc2C#N)cc1C 71390554 YBNBJEZPXJFIMO-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)CC1 86901741 WLQZZWHTTHNMHH-ZBFHGGJFSA-N 256.393 4.523 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C(C)C)CC1 86946082 GOGCPRAEZJEGDC-SJORKVTESA-N 270.420 4.884 30 10 CJEE Cc1ccc(C#N)c(Oc2cc(C)c(N)cc2C(C)C)c1 87465672 YSNCXVYBGFIPBJ-UHFFFAOYSA-N 280.371 4.673 30 10 CJEE Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1C#N 88729833 QWXCGGHFOSVBIG-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CC1CCC(C#N)([C@H](O)c2ccc(C(C)C)cc2)CC1 91881620 XJKORTBEEKKUDS-ZCDVPAHGSA-N 271.404 4.563 30 10 CJEE CCC(CC)(CS)CN(CC(C)C)C1CCCC1 94853835 MJOFPUITVCYZTO-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE CCCCCCCNC(=O)c1ccccc1SC(C)C 102409426 BVPLPRPXDVIGHB-UHFFFAOYSA-N 293.476 4.887 30 10 CJEE CCCCCCCOCc1cc([C@H](C)O)ccc1OCC 105875043 PWDZUXMOPKMBSF-HNNXBMFYSA-N 294.435 4.626 30 10 CJEE CCCCCCCCCOc1cc(C#N)ccc1[N+](=O)[O-] 106590334 GMBAVYKAJRABMP-UHFFFAOYSA-N 290.363 4.596 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(C(F)(F)F)ccc1OC 107474212 MXLBBSVNRIFQLY-RYUDHWBXSA-N 284.321 4.867 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)Cc1ccccc1C 110017380 UBZYGXPGCHKOBA-LJQANCHMSA-N 290.495 4.505 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1OC)NCCC 112893694 RWJHIXOXSLLNOW-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)CCc2ccccc2C1 115841336 GMKSUQNCBKVCRO-IBGZPJMESA-N 288.431 4.997 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(Br)o1 123508705 IWCLUFQQYXBEHA-NSHDSACASA-N 288.229 4.793 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)CCO[C@@H]1C1CC1 131395269 VOKMUPFTOXBDHC-MOPGFXCFSA-N 295.511 4.920 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]1(C)CCCS1 134006406 LTVOQXCZCHRKNU-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCSc1cccc(NC2CCCCCC2)c1C#N 136620258 QQWFCGKSRVLTSQ-UHFFFAOYSA-N 274.433 4.805 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccncc1Cl 139598666 BAFAAEYDIKUAPT-OAHLLOKOSA-N 268.832 4.746 30 10 CJEE CCCCCCCC[C@H](N)c1cc(OC)cs1 159123679 PLGRUGYJYKUVHX-ZDUSSCGKSA-N 255.427 4.507 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)c(F)c1 160505505 FRCDIQYTTUEBKO-LLVKDONJSA-N 288.753 4.548 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(F)ccc1C(F)(F)F 164175688 RGQMKNHIDMURKW-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCC[C@H](N)c1cncc2ccccc12 165124955 CHQQVTMZRPHSOW-KRWDZBQOSA-N 256.393 4.595 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCO[C@@H]1C1CC1 166162099 IVRFWXVRZYTFJO-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1cccc(F)c1 166494705 ZPQJTJHQBBNJRX-MRXNPFEDSA-N 286.325 4.708 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1F)C(C)(C)C 213712909 GNAKMMSNVWSWJJ-CMPLNLGQSA-N 295.785 4.728 30 10 CJEE Cc1cccc(C)c1C[C@]1(C#N)CCc2ccccc2C1 215455664 IUQRVHRIYWQRHD-FQEVSTJZSA-N 275.395 4.545 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)Cc2cccs2)C1 218481584 YJWAVULFTNCQPT-VYDXJSESSA-N 290.476 4.679 30 10 CJEE Cc1ccccc1[C@@H]1Nc2c(C#N)cccc2[C@@H]2C=CC[C@@H]21 226856665 PXDXZLZGYUWNSG-QRFRQXIXSA-N 286.378 4.693 30 10 CJEE CCCCCCCCCO[C@H]1CNc2ccccc2C1 230218383 SBSWZTMEPDKKHR-QGZVFWFLSA-N 275.436 4.790 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)CC[C@H]2O 232418919 OKEMNHHHVIHRJY-GOSISDBHSA-N 276.420 4.796 30 10 CJEE CC(C)(C#N)CCCCN1CCC[C@@H](C(C)(C)C)CC1 232508425 LMMXJMWTBAXWRZ-MRXNPFEDSA-N 278.484 4.855 30 10 CJEE CC(C)CCSc1ccc(C(F)(F)F)cc1C#N 232675421 FWLSMPTWXCOYLI-UHFFFAOYSA-N 273.323 4.715 30 10 CJEE CC1(C(=O)[C@H](C#N)c2c(F)cccc2Cl)CCCCC1 232829290 OEIFXCIWXCOQPZ-LLVKDONJSA-N 293.769 4.626 30 10 CJEE CCCC(CCC)Nc1cc(Br)ccc1C#N 232895811 HRPNPZAXTLABNC-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cn(C)cn1 232911535 XFSBIXDOPHDYLO-INIZCTEOSA-N 279.472 4.731 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cnc(C)s1 232924237 AOZMYTHYVFHAOK-CQSZACIVSA-N 268.470 4.853 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(F)c2ccccc12 233153250 VQGFXUADOVZTCA-QGZVFWFLSA-N 257.352 4.596 30 10 CJEE CN[C@H](C)c1ccc(SCCCCC(C)(C)C#N)cc1 234429475 WOGSORQDOZZNQK-CQSZACIVSA-N 290.476 4.779 30 10 CJEE CSc1cccc(N[C@H]2CCC[C@@H](C)CC2)c1C#N 235101086 NLWMCRHBHOCANN-OLZOCXBDSA-N 274.433 4.661 30 10 CJEE Cc1cc(Cl)ccc1[C@H](C#N)Nc1ccc(Cl)cc1 235851853 JFMJXSUZEQSLLN-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CCN(C1CCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252448634 YXVBFUNLSOBQHO-ZMSDIMECSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1[C@H]2CCCC[C@H]21 253042693 MLKJIFDLLXSBPK-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE O=[N+]([O-])c1cccc(-c2ccc(C=Nc3ccccc3)o2)c1 254296163 ZEFHDUFNMXUULL-UHFFFAOYSA-N 292.294 4.605 30 10 CJEE CCn1cc([C@@H](C)CC#N)c2cc(C(F)(F)F)ccc21 260103123 RROKGPXRXQVEIL-JTQLQIEISA-N 280.293 4.697 30 10 CJEE Cc1cc(C#N)cc(NCC2(C)CCCCCC2)c1 308147460 CRLFBNKHRHHBEG-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CC(C)(CNc1ccc(C#N)c(Cl)c1)C1=CCCC1 309857241 FGHAVIUTLJYHKY-UHFFFAOYSA-N 274.795 4.760 30 10 CJEE N#CC1(c2ncc(Cl)cc2Cl)CCCCCCC1 310851729 DAVYMKDENVIRPW-UHFFFAOYSA-N 283.202 4.894 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 313492825 PFIWIKCOGQIUDK-JTQLQIEISA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCCC[C@]1(CN)CCCO1 315634216 QHCZLLDVGWZISS-QGZVFWFLSA-N 269.473 4.805 30 10 CJEE CCCCCCCC1(CNCCOC)CCCCCC1 318249672 IGTPUEDIMNNVMR-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCCC[C@H]1C 319625729 FVEUWQIMHHAYEA-MJGOQNOKSA-N 277.496 4.868 30 10 CJEE CCCCCCCCC/C=C1/[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2 328397189 ABUAOLQHSZMQIR-WHGJNBFLSA-N 261.453 4.681 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 380439672 BTKVGOYEHNNBDA-HZMBPMFUSA-N 285.284 4.816 30 10 CJEE CCO[C@H]1C[C@H](C2(C#N)CCC(C(C)C)CC2)C1(C)C 381019437 BNHLPVUZNKGEAM-LPMVOBIJSA-N 277.452 4.794 30 10 CJEE C#C[C@@H](Nc1cc(C)c(F)cc1Cl)c1ccccc1 381099766 GRECYJDFFALJML-OAHLLOKOSA-N 273.738 4.574 30 10 CJEE CCCCCCC[C@@H]1CCC[C@H]1[C@H]1CCCCN1 386065683 YKMFADKEAWSQBG-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCCOc1ccc(CCC(C)=NO)cc1 389324419 RFXOFEAWQQWJGQ-UHFFFAOYSA-N 277.408 4.819 30 10 CJEE C=CCC(C)(C)COC[C@@H](NCCC)C1CCCCC1 403877343 WXAURKFGCHHPHG-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CC/C=C/C(=O)c1cc(C(F)(F)F)ccc1Cl 406044827 WTSBPLDPQOKKAA-ONEGZZNKSA-N 262.658 4.508 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CCCc1ccccc1 466429341 XMGXQWSFUXSKCA-MJGOQNOKSA-N 299.458 4.603 30 10 CJEE N#CCc1ccc(-c2c(Cl)cccc2Cl)cc1F 514263135 FQBJWWCKUSEVMM-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE Fc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 575381611 XFANZUIMRYAOSC-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)F)cn1 692226729 IEXGTQJJDFIHNC-AAEUAGOBSA-N 266.335 4.566 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](OC)C1CCC1 692735103 JHZDPIPAGVTBJL-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(CCC)CCNC1 695319992 YTUWTYJJZIIUAA-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1CNc2ccccc21 697068044 JCEKNKPXXJSIBZ-HOTGVXAUSA-N 275.436 4.697 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1C[C@H]1C1CC1 699154422 XRKJCDRREOOGCH-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](O)c1snc(OC)c1Cl 708459788 KWNHVAVTWKAMHL-JTQLQIEISA-N 291.844 4.589 30 10 CJEE CC(C)(C#N)CCCCN1CC[C@H](C2CCCCC2)C1 708837726 QCMXYJQUQKGUAA-KRWDZBQOSA-N 276.468 4.609 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1CCC(CCC)CC1 715771061 RLWHXXSIHKDBSH-OTBWCIGPSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716464740 PXCLQUQRJQQWQM-SIRPWMCASA-N 251.458 4.747 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@]1(C)CN 722974395 WGUOONAVAUTMDK-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 724225873 GJVYSZPXHDNWFY-MUJYYYPQSA-N 268.441 4.900 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(Cl)s2)CC1 724553362 HRENYBCDLMQVKJ-LBPRGKRZSA-N 269.841 4.799 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@H](C2CCCC2)CCS1 725064075 PDESNPAHXUHSMT-ZFWWWQNUSA-N 282.497 4.597 30 10 CJEE C=CC(C)(C)CCCNC(=O)CCC1CCCCCC1 1133177203 KXJVAVKDLOPJBV-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCCCCNCc1ccc(-c2ccc(F)cc2C)o1 1178545856 FRQKCJOLMWZIHH-UHFFFAOYSA-N 287.378 4.840 30 10 CJEE C=CCCCN[C@@H](Cc1cccc(Cl)c1)CC(C)C 1181409354 BIUHYWDWMGYNNK-QGZVFWFLSA-N 279.855 4.853 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc(C3CC3)c(C3CC3)c2)C1 1183065406 KTAKJNLZEZDFHT-OAHLLOKOSA-N 281.443 4.839 30 10 CJEE CCCCCCCCN(C)C(=O)Nc1ccc(C)cc1 1202430116 WEGWLOKOPWPOFU-UHFFFAOYSA-N 276.424 4.819 30 10 CJEE C=CCCCCCCCNC(=O)NC1(C)C(C)(C)C1(C)C 1229661753 CLQQQQKMJZEAQU-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE N#CCc1ccc(F)cc1-c1ccccc1C(F)(F)F 1239544901 HEAFHJQJALXNGD-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C#Cc1cccc(N[C@@H](C)CCC2CCCCC2)c1 1308669455 KGIILBAZZQBWLN-HNNXBMFYSA-N 255.405 4.829 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCC[C@@H]2CCCC)CCCC1 1311866300 VMRYTWGHVFOLCI-HOTGVXAUSA-N 292.467 4.533 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CCCCC1 1353021796 KGNQARLXVWPJRY-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=C[C@@H](CC(=O)N(C)c1ccc(C)c(C)c1)c1ccccc1 1358316653 JJICJTURSFPWGB-KRWDZBQOSA-N 293.410 4.626 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ncc(C2CCCCC2)s1 1435858751 IQPVXSRYYBTELK-LBPRGKRZSA-N 292.448 4.732 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc2cccc(C)c2s1 1458272124 DTOVEIMXNWSIGR-CYBMUJFWSA-N 287.428 4.684 30 10 CJEE C#CCCCCCCN[C@H](C)c1cc2ccccc2o1 1459954443 YOMSLDPEIJYARB-OAHLLOKOSA-N 269.388 4.667 30 10 CJEE C=CCCc1ccccc1NC/C=C/c1ccccc1 1474123896 NAAFLPXHOBWFHK-FMIVXFBMSA-N 263.384 4.931 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCC12CCCCC2 1478295887 CGGUFKHVRKIIPQ-HZPDHXFCSA-N 292.467 4.533 30 10 CJEE C=CCCCNC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1525070785 YAYNIOVWZXDZFC-WUJZJPHMSA-N 291.479 4.702 30 10 CJEE C=CC1(CC(=O)N(C)[C@H]2CCC[C@H](C)C2)CCCCC1 1526277997 STFUCNNTOSUAQA-HOTGVXAUSA-N 277.452 4.550 30 10 CJEE C=CCCC1(CNC(=O)[C@](C)(F)CCCC)CCCC1 1528541693 MWFRZKWAWFNXLG-MRXNPFEDSA-N 283.431 4.548 30 10 CJEE C=CCC1(CNC(=O)CC[C@H](C)c2ccccc2)CCCC1 1532537782 DSSLGPYCHXICQZ-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE CCc1ccccc1C#Cc1ccc(F)c(C(F)(F)F)c1 1614827122 LZQLAHBWNCZHCG-UHFFFAOYSA-N 292.275 4.807 30 10 CJEE C=CCC[C@H](NCc1ccccc1C)c1ccccc1 1620868876 UARDFMRFKQRZLN-IBGZPJMESA-N 265.400 4.792 30 10 CJEE C=CCN(Cc1cccs1)Cc1cc(Cl)ccc1F 1621219895 PSEMWMJUQBPGGA-UHFFFAOYSA-N 295.810 4.729 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@]1(O)CCCC(C)(C)CC1 1621477673 YAYGQTULHLZSKS-MJGOQNOKSA-N 295.511 4.822 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@@H]1CCCCC1(C)C 1627249693 RSNHWEWNKKJNFP-HOTGVXAUSA-N 277.452 4.550 30 10 CJEE C=CCCC(=O)CSc1ccc(Cl)cc1Cl 1641135659 GSJANPMDPAGGAC-UHFFFAOYSA-N 275.200 4.621 30 10 CJEE C=CCCCCN1[C@H]2CC[C@H]1CC(CC(F)(F)F)C2 1648501369 ZQHGSNAOXRWLIA-KBPBESRZSA-N 275.358 4.538 30 10 CJEE C=CCOCCS[C@@H](C)c1ccc(Cl)c(Cl)c1 1651831728 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10 CJEE C=CCCC[C@H](O)c1ccc2oc3ccccc3c2c1 2295796541 SVPURLNNHUCUDV-INIZCTEOSA-N 266.340 4.976 30 10 CJEE O=C1C(=Cc2cccc(Cl)c2)CC[C@@H]1C1CCCC1 2297334110 CRRLBOLHOXGXHB-MRXNPFEDSA-N 274.791 4.893 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1csc(C)c1C 2304050247 WSCLULAEQNKLIL-LSDHHAIUSA-N 251.439 4.618 30 10 CJEE CCCCCCCN1C[C@@H]2CC[C@](C)(C1)C2(C)C 2309521593 PHBPGGUVOOALFQ-DOTOQJQBSA-N 251.458 4.715 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCSC1 2311611849 HVCIDNPMXFEAPN-JYJNAYRXSA-N 263.450 4.630 30 10 CJEE C[C@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2312205638 XQUQOZNWCPDWLP-WUHRBBMRSA-N 259.315 4.685 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)c(CNC2CCC2)s1 2313702096 ORYJLTIDZMSOQV-GFCCVEGCSA-N 281.490 4.755 30 10 CJEE C=CC[C@@H](C)Sc1cccc(C)c1CNC(C)C 2313703369 BGCKXDGIRNEBHW-CQSZACIVSA-N 263.450 4.550 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)cc1CC 2319287558 XTWRFSKIEOLLRP-MRXNPFEDSA-N 265.828 4.909 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CC[C@H]1C(C)(C)C 2320246140 GXFLAJPCQZOUDC-LSDHHAIUSA-N 251.458 4.641 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2321143974 DWZQCROMXOTWAI-YMTOWFKASA-N 290.209 4.995 30 10 CJEE O=C(C=C1CCCCC1)CCC1(C(F)(F)F)CC1 2321547514 OXTDWIMRITXJHX-UHFFFAOYSA-N 260.299 4.569 30 10 CJEE CCCCCCCC[C@](C)(SCCSC)C(=O)O 2326935537 YHUCIKIMZQSAHK-AWEZNQCLSA-N 292.510 4.677 30 10 CJEE C[C@H](c1cccs1)N(C)C[C@](C)(CS)C(C)(C)C 2327290342 JNDBRBWDBIGUOF-IUODEOHRSA-N 285.522 4.723 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2329118944 IIXVHAGJUVTPIM-QAETUUGQSA-N 269.448 4.853 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC2(CCC2)[C@H]1NCC 2335189691 BHXZYQUZXNSYDS-HOTGVXAUSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1C 2337108719 IONNXUIDCAOBBV-LZLYRXPVSA-N 257.421 4.699 30 10 CJEE SCC1(COC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1 2338917030 AKEYMFTYZCIDKU-HRCADAONSA-N 282.493 4.710 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2COCC2(C)C)CC1 2338944494 NIIYOBFFWXFSJM-ISXOHVOVSA-N 263.425 4.549 30 10 CJEE CCCC[C@](C)(C#N)Cc1c(F)cc(OC)cc1Cl 2339188252 KLVLIJJZYDVEJH-HNNXBMFYSA-N 283.774 4.750 30 10 CJEE C=CCCCCC[C@H](O)c1cc(F)ccc1C1CC1 2341683979 YDODLUUBBVMHQL-KRWDZBQOSA-N 262.368 4.873 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cc(F)ccc1C1CC1 2341744981 QAOXSTRENOZEKE-YVEFUNNKSA-N 257.352 4.576 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccnc1C(C)C 2342159526 YNLXDKUHWIMRHL-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC[C@H]1CC[C@H]1C1CC1 2342389454 XEOUAAZLRZLANO-SOLBZPMBSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCOC[C@@](C)(CC)CNCC 2343151601 QOCYPOITOIBISV-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE C=CCCC[C@H](Cc1cccc(C(C)C)c1)NCC 2343745695 LUIAINLVLZRENH-GOSISDBHSA-N 259.437 4.687 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(C)cc1Cl)NC 2344348932 OTUDXHZIOMOKLY-IRXDYDNUSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccccc1C1CC1 2344351771 LFORZQHVUOBKJY-ROUUACIJSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccccc1CCC 2344395964 LJUADLVCHRXGFG-MSOLQXFVSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccnc(C(C)(C)C)c1 2344412916 WQVAZLCGDOUDKB-KRWDZBQOSA-N 259.393 4.554 30 10 CJEE CCCCCCCCN(C)[C@H]1CCC[C@H]1OC(C)C 2344813899 SSTXUTYMTWJYTP-DLBZAZTESA-N 269.473 4.625 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NC[C@H](C#N)C2CC2)c1Cl 2353022664 GPPWTJSEJLSNSJ-JQWIXIFHSA-N 297.229 4.502 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@H](CC#N)C(C)C)c1Cl 2353025834 VJCBGHPNHWAWLN-SMDDNHRTSA-N 299.245 4.891 30 10 CJEE CC[C@H]1CC=C(C(=O)c2ccnc(C(C)C)c2)CC1 2353569977 YROPCQUDRXGZKQ-ZDUSSCGKSA-N 257.377 4.524 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@H]1CCC[C@H]1C(C)C 2353843378 RLZJZRAQPPJRJO-BBWFWOEESA-N 285.541 4.583 30 10 CJEE CC[C@@H]1CCC[C@@H](N(C)C[C@H](CS)CC(C)C)CC1 2353846202 SPFCAEZGGIICJH-BRWVUGGUSA-N 285.541 4.869 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2354362802 MZXSLPGEGAYCQL-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1cccc(C)c1 2360199787 BNGGWWIOOCNEQH-SFHVURJKSA-N 289.488 4.900 30 10 CJEE O/N=C\c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5112633 PNMGPRJUKKTPSV-ATVWYZQASA-N 293.364 4.762 30 10 CJEE Cc1ccccc1N/N=C/c1cccc2ccccc12 7892101 PDBJOSDZPSBCKN-CPNJWEJPSA-N 260.340 4.594 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cccc(F)c2C#N)cc1C 36138423 BCAKRXNKNPBGFZ-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccc(C)cc2)C1 37146703 HLHZRZGOADTIGO-YTQUADARSA-N 284.447 4.535 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc(Cl)cc(Cl)c2)cc1 37935678 KEGURPVAJFNKNA-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CC(C)CC[C@](C)(C#N)Nc1ccc(Br)cc1 37936367 RYEHZNSSYBOWNY-CQSZACIVSA-N 295.224 4.579 30 10 CJEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc(Cl)c1)O2 39842627 TZEYSIGILJWHHT-SXGWCWSVSA-N 284.742 4.573 30 10 CJEE Cc1ccsc1-c1sc(C#N)c(N)c1-c1ccccc1 44273968 UMKCTCDWKFVABM-UHFFFAOYSA-N 296.420 4.906 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccc(Cl)s2)C1 48972017 NPMNEEQKZVEDGZ-OUCADQQQSA-N 296.867 4.552 30 10 CJEE CCC[C@@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 50039101 ADWCNZUGVGLSKM-KOLCDFICSA-N 284.186 4.606 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 71109303 OZIVTWIVQAOONI-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE C=CCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 71277010 CUJARUOTZUFZIP-ZDUSSCGKSA-N 286.246 4.870 30 10 CJEE CCCCN(C[C@H](C#N)c1ccccc1)c1ccccc1 81581629 HWKNATNTZOYBCG-SFHVURJKSA-N 278.399 4.600 30 10 CJEE Cc1ccc(N/N=C/c2ccccc2OCC(C)C)cc1C 82252375 XVUXJCRUYOUGAY-UDWIEESQSA-N 296.414 4.784 30 10 CJEE CCC1CCC(C#N)(Cc2ccn(C3CCCC3)n2)CC1 87933693 AQPJWMOYNGOXDH-UHFFFAOYSA-N 285.435 4.651 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccc(F)cc2F)CC1 87940141 RNRDMOBYNNFMCX-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE CCCC1CCC(C#N)(CCCOCC(F)(F)F)CC1 87959554 UPHSBICETZPWRH-UHFFFAOYSA-N 291.357 4.846 30 10 CJEE CCCCCCCCCCCCc1c(C)nc[nH]c1=O 95890159 KMKURCSWXPDGSU-UHFFFAOYSA-N 278.440 4.542 30 10 CJEE CC1(C)CCN(CCCCCCCCCS)CC1 97799260 YZINYOVQSYTFQE-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CCCCCCCCNc1ccccc1-c1nc(C)n[nH]1 102770207 AMYOJXANKGTDTQ-UHFFFAOYSA-N 286.423 4.553 30 10 CJEE CCCCCCCCCNCc1sccc1C 105839652 SEKIASZEDDAKOJ-UHFFFAOYSA-N 253.455 4.897 30 10 CJEE CCCCCCCNCc1cccc(F)c1Cl 106265561 NOUNLURTBPYPOV-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1CNC 106595840 DMUMPNSDFZNNMA-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCCOC1(CNC(C)C)CCCC1 110070321 QNRVLOQPIFIWKD-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCOc1cc(OC)ccc1CNC(C)C 110095056 OVOOIOPAKUIISV-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(Cl)c1 110446376 POSKQFXBQSGTGA-HNNXBMFYSA-N 253.817 4.874 30 10 CJEE CCCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1CC 114065602 IIRVZMJKEGOWBI-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccsc1)NN 122684589 JRIHIDZLHLXVHQ-INIZCTEOSA-N 282.497 4.653 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H](OCC)C1(C)C 129261057 BWUWMRDSSCTZHU-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C#CC[C@@H](C)NCCCCCCCCCCCC 130411735 AGTFNMYXTPLLHT-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc2nccnc12 139390068 GWAOCXGWPPMHEM-MRXNPFEDSA-N 285.435 4.770 30 10 CJEE CCCCCCC[C@@H](NCC)c1snnc1C(C)C 139618855 GLEVQFFGSZJJLE-CYBMUJFWSA-N 283.485 4.673 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cc(Cl)ccc1C#N 155868483 LHEBDYNISZCLTG-RISCZKNCSA-N 276.811 4.838 30 10 CJEE CCCCCCCCOc1cc(F)cc(CNCC)c1 157478082 YBSSLXQSUOLSAC-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(OC)cc(OC)c1 158097612 JZOJBPCHVBCCMT-SFHVURJKSA-N 293.451 4.715 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC1 158333793 YZFDQWANNUJQAX-BXUZGUMPSA-N 296.336 4.958 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CCc2ccccc2C1 164633000 HFYGLDYARDXALY-RBUKOAKNSA-N 271.448 4.516 30 10 CJEE CCCC1CCC(C#N)(Cc2cccc(OC)c2F)CC1 166638373 OVCFBWYGWAZAKT-UHFFFAOYSA-N 289.394 4.877 30 10 CJEE C=CCC[C@@H](NCC)c1cc2c(s1)CCCCC2 167763265 NQLJCQYFYSXVCH-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(CC)CCCNC1 169076624 RCSBXWZDVZGWOM-GOSISDBHSA-N 281.484 4.866 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(F)c1 215062969 BYJCTBNVQBACRQ-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1cccc(C)c1[C@@H](O)C1(C#N)CCCCCCC1 215952449 HGVHCEQHBLZPNU-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE C=CCC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 228834115 QRYLTEQPMKGTAI-GOSISDBHSA-N 252.357 4.527 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc2c(s1)CCSC2 229757080 MTNJSUGTJIUCHF-CQSZACIVSA-N 295.517 4.934 30 10 CJEE CCCCCCCCCC(=O)Nc1ncccc1Cl 231770824 PDRGPNWQXQTKEY-UHFFFAOYSA-N 282.815 4.814 30 10 CJEE CCCCCCCCCCN[C@H](COCC)C(C)C 232915668 IWJVDIVSUDLCHJ-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE C=CCCCCC[C@H](CCc1ccco1)NCCC 233163467 LURMPAHXNXWWHI-MRXNPFEDSA-N 263.425 4.717 30 10 CJEE O=C(C=C1CCCCC1)c1cc2cccc(F)c2o1 236163666 GGVGLZAWOMXQMG-UHFFFAOYSA-N 258.292 4.645 30 10 CJEE N#Cc1sccc1-c1ccc(Cl)cc1Cl 238525646 NMRMPBOSCNJXBO-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCC[C@@H](CS)CN(C)[C@H](C)c1ccc(Cl)cc1 251104652 FEZAQJGOLGRPPA-CHWSQXEVSA-N 285.884 4.679 30 10 CJEE N#C[C@]1(C[C@H]2CCC3(CCCCC3)O2)C[C@H]2CC[C@H]1C2 300002456 RINWLWMXQHOORA-MWDXBVQZSA-N 273.420 4.588 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)C(=O)C1CCCC1 313517341 NVYYUCQOBOFVJX-OAHLLOKOSA-N 266.425 4.702 30 10 CJEE C=CCCCCCCNCc1c(C)c2ccccc2n1C 315165354 XMUARTBIFMMNEN-UHFFFAOYSA-N 284.447 4.713 30 10 CJEE C[C@@H]1CC[C@H](C2(C=O)CCCCCCC2)C[C@H]1C 316803404 NPUHIDJVHOMJRH-OAGGEKHMSA-N 250.426 4.988 30 10 CJEE CCC1CCC(C=O)(CCSC(C)(C)C)CC1 317314309 YKTRRJGDIDYQJN-UHFFFAOYSA-N 256.455 4.694 30 10 CJEE C=CCCCCC[C@]1(CNCCC)CCC[C@H]1C 317363510 AXACYTDURAKSRB-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCCC2(F)F)CC1 317430948 HQYMVACLDKNRKF-MOKVOYLWSA-N 258.352 4.597 30 10 CJEE CC1CCC(C[C@@]2(C=O)CCc3ccccc3C2)CC1 317670885 FUDWNYAQBFRBFG-RJYAGPCLSA-N 270.416 4.577 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CCCCCCC1 379281177 QRWCSHNRTXXIGI-ULQDDVLXSA-N 275.436 4.978 30 10 CJEE C=C([C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(F)(F)F 380193476 XDRQZTAJSDWVNO-BARDWOONSA-N 289.385 4.690 30 10 CJEE C[C@@](C#N)(Nc1ccccc1Cl)[C@@H]1CC2CCC1CC2 381817938 DYKFFZQHHXJNHI-GROLMSMHSA-N 288.822 4.860 30 10 CJEE CC(C)(C)C(C)(C)C/N=C1/NCC2(CCCCC2)CS1 383268089 FLQHNFFOKFCGMF-UHFFFAOYSA-N 296.524 4.702 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 385165375 LTACBQWSFYBDBW-VIFPVBQESA-N 290.209 4.995 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1oc2ccccc2c1C 393772069 HRYDETGDECAAJB-KGLIPLIRSA-N 257.377 4.747 30 10 CJEE CC(C)(C)c1ccccc1NC[C@H](C#N)C(C)(C)C 397583059 HTDXIIIEUIOPBD-ZDUSSCGKSA-N 258.409 4.582 30 10 CJEE C=C(C)CCO[C@@H]1CCCCCCCCCC[C@H]1N 403350739 FCZLZWLIQYOCCV-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CCC(C)(C)CO[C@H](CC)[C@H](CCC)NCCC 404049425 HXDKRIDPOMUYCQ-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 466438750 PHNKUFKQMJHLCQ-MNOVXSKESA-N 285.840 4.571 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCCCC#N 594010353 JRLVIGGTIRHXBL-UHFFFAOYSA-N 284.403 4.561 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccccc1Cl 686683161 VNVVVCZCGYLWPS-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE C#CCCCCC[C@@H](N)c1ccccc1C(C)(C)C 686695548 ZWSZFSKILNUYIA-QGZVFWFLSA-N 257.421 4.568 30 10 CJEE C[C@H]1CC(=O)C=C(CC2(c3ccccc3)CCCC2)C1 686733489 JKZGXVIQPIXZPA-OAHLLOKOSA-N 268.400 4.814 30 10 CJEE C=CCCCCC[C@H](O)C(CC)(CC)C(F)(F)F 690910012 FTLYWZBUAZJJDD-LBPRGKRZSA-N 266.347 4.853 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CSc2ccccc21 692251463 IXQJYCYQEGHXOF-HLLBOEOZSA-N 287.472 4.600 30 10 CJEE CCCCCCCCCCNC[C@@H](OC)C1CCCC1 692985135 ZUSYPECYTJNTPB-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCC[C@H](CNc2ccc(Cl)cc2C#N)C1 695661223 RXJLNMXPWJTJCY-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)CCCCCCC 698894634 ZVFNBDABONXPDR-OAHLLOKOSA-N 294.439 4.662 30 10 CJEE CC1C[C@@H]2CC[C@H](C1)N2CCCCCCCCCS 703042538 UBAPTNZXZHSMNP-ALOPSCKCSA-N 283.525 4.910 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnn(CC)c1C 703738343 TXJOCHUAFKMMGX-KRWDZBQOSA-N 280.456 4.776 30 10 CJEE N#C[C@@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 708029200 RZCXMYZSFOWNSI-CQSZACIVSA-N 267.294 4.893 30 10 CJEE CCC[C@H](CS)CN1CCC[C@@H](C2CCCCC2)C1 708236989 YPEYFVVOMQMKRF-DOTOQJQBSA-N 283.525 4.625 30 10 CJEE CCSc1cccc(NCC[C@H]2C[C@@H]2C2CC2)c1C#N 712681022 NZUWNLJRBPUAND-UONOGXRCSA-N 286.444 4.518 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)c(Cl)c1 715703009 FRIXHFWDATVSNW-WFASDCNBSA-N 251.801 4.511 30 10 CJEE CCCCCCC[C@@H](NCC)C1C[C@@H]2CC[C@H](C1)S2 716050958 XKXRRMCCYBSTJW-NPYXIHBLSA-N 283.525 4.999 30 10 CJEE CCCC1CCC(C#N)(CCc2ccns2)CC1 719895417 WNDSGGIXWGATAW-UHFFFAOYSA-N 262.422 4.576 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2(C)CCCCC2)C1 720385745 JDIPYYMRDLNOJL-IXDOHACOSA-N 276.468 4.750 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(Cl)c2F)CC1 724543703 GMDRWNHVFUUKAC-HNNXBMFYSA-N 281.802 4.876 30 10 CJEE N#CCc1cc(C(F)(F)F)cc2scc(C(F)F)c12 725277645 YNXJZIKJISIXHK-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CC(=NNc1nccnc1C(C)C)[C@H](C)C1CCCCC1 773093972 PHAOLMHJDAYSGM-ZDUSSCGKSA-N 288.439 4.604 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 793528658 SUHQARSJQUBVNX-OCCSQVGLSA-N 266.454 4.627 30 10 CJEE C=C(C)CCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 1125563858 LPTIUOWCOOTOME-UHFFFAOYSA-N 295.382 4.798 30 10 CJEE CCCCCCCCCN(C)Cc1ccncc1C 1167145867 IMSZYTGLFMNPOQ-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE C=CCCCCCNC1(c2ccccc2C)CCC1 1171700242 MPJOAXDOHSSVHT-UHFFFAOYSA-N 257.421 4.710 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccc(F)cc2)s1 1202434950 ATSHGTSTEZTJRG-UHFFFAOYSA-N 289.419 4.856 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc(C)c1C 1202798530 ZRZCHHGNVKFCPA-FQEVSTJZSA-N 279.427 4.580 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(-c2cnco2)cc1 1204938899 UNSRLXZGQCCYJY-HNNXBMFYSA-N 270.376 4.888 30 10 CJEE C#Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C)c(Cl)c1 1207704939 VKZGPRWWGUHGEN-HWWQOWPSSA-N 261.796 4.558 30 10 CJEE C=C(C)CN(CC)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1234353174 PJYBEEKIAQWXBC-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(C(C)(F)F)cc2)C1 1242315466 ICAVCGXXRVKHQZ-UHFFFAOYSA-N 264.315 4.571 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(Cl)ccc1SCC 1293184012 LLOQGNXXBVGWOH-UHFFFAOYSA-N 297.851 4.993 30 10 CJEE C=CCCCCCCNc1ccnc(Cc2ccccc2)n1 1307115564 SOWTTZFJKOBGGC-UHFFFAOYSA-N 295.430 4.616 30 10 CJEE C=CCCCCCN(CCC)Cc1ccccc1F 1307934653 PUQWRRBXWUTRBN-UHFFFAOYSA-N 263.400 4.784 30 10 CJEE C=CCC(CC=C)C(=O)N(c1cc(C)ccc1C)C(C)C 1357456927 XDGDGMRBWSUZJQ-UHFFFAOYSA-N 285.431 4.813 30 10 CJEE C#CCCCCCC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1358345257 ZKKUXSGHHUMPDY-LJQANCHMSA-N 299.458 4.782 30 10 CJEE C=CCn1c(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)nc2ccccc21 1458758455 KZEHXHBQXJRVQE-ZNMIVQPWSA-N 296.439 4.527 30 10 CJEE C=CCCCCNC(=O)c1csc(C2CCCCC2)c1 1459357122 HACGDKMSPQMKGK-UHFFFAOYSA-N 291.460 4.882 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](CC)CC(C)C)CCCC1(C)C 1459679309 AUOUYZLBLILSHP-HOTGVXAUSA-N 279.468 4.652 30 10 CJEE C=CCC[C@H](O)CN(c1ccccc1)[C@@H](C)c1ccccc1 1459922330 TUWGWJHLQLYFKJ-PXNSSMCTSA-N 295.426 4.581 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(C(C)(C)CC)cc1 1463242132 XCLHXZQZRYVGET-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 1467474510 CCDRTRHQYKJLLX-OAOQPFQOSA-N 298.430 4.666 30 10 CJEE C=CCCCCCCNC(=O)NC1(C2CCCCC2)CC1 1470109760 FIOOQWZCCQUTBT-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2cc(C)c(O)cc2C)c1 1477188292 IWJNRFSTDLZEFS-UHFFFAOYSA-N 296.370 4.686 30 10 CJEE C=CCC[C@H](NC(=O)N(CC)[C@@H](C)CC)c1ccccc1 1478258650 YSJJURSTRWQMJR-RDJZCZTQSA-N 288.435 4.524 30 10 CJEE C=CCC1(C(=O)NCCC2CCCCC2)CCCCC1 1525074284 XRXJQOPOHXDVEG-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)CCCCC1 1528239850 MEJCXOWHRMJXHC-CVEARBPZSA-N 291.479 4.844 30 10 CJEE C=CC1(CC(=O)NCc2cscc2Cl)CCCCC1 1535103238 CUFKYXGPENTWHR-UHFFFAOYSA-N 297.851 4.544 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1538741607 KPCOKWNITSWFBR-GJZGRUSLSA-N 279.468 4.700 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 1544291439 XDCGQYWDMMRGEZ-GOSISDBHSA-N 285.431 4.569 30 10 CJEE C=CCCCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 1559591413 ZOGAABKTLXOFSM-UONOGXRCSA-N 265.828 4.730 30 10 CJEE C=CCC1(NCc2ccc(C(C)C)nc2C)CCCCC1 1560070705 JWNAMZNPLHDLRS-UHFFFAOYSA-N 286.463 4.882 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OCC)cc1C 1560530451 GABOQEMJGSELPD-APWZRJJASA-N 287.447 4.618 30 10 CJEE C=C(C)CN(C)C(=O)c1cc(CC)c(-c2ccccc2)s1 1587784471 QADYEKIVRPOMOV-UHFFFAOYSA-N 299.439 4.626 30 10 CJEE Cc1ccc(C#Cc2c(C)cccc2C)c(Br)c1 1614825704 OTTYDRQVVSKIJZ-UHFFFAOYSA-N 299.211 4.774 30 10 CJEE CCCCCCCCCCCC(=O)NCC(F)(F)F 1616049128 XLZALBOTFOEROI-UHFFFAOYSA-N 281.362 4.586 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1nc2c(s1)CCC[C@@H]2CC 1616525580 KBMVMCHIHXOTOH-RYUDHWBXSA-N 292.448 4.514 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(Br)c(C)c2)C1 1620732875 GYHPIDQVJNZCIO-GXTWGEPZSA-N 294.236 4.914 30 10 CJEE C=CC(C)(C)CNCc1cc(Cl)cc(C(F)(F)F)c1 1620939013 SUARFQOAIPIAJO-UHFFFAOYSA-N 291.744 4.661 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](CC(C)(C)C)C(F)(F)F 1621203823 RFDIKAVYIZLKBM-NEPJUHHUSA-N 265.363 4.688 30 10 CJEE C=CC(C)(C)CNc1nc2c(F)cc(Cl)cc2s1 1642686931 YLZNPLVMPBLNTA-UHFFFAOYSA-N 284.787 4.713 30 10 CJEE C=CCC1(NCCO[C@H](CC)c2ccccc2)CCCC1 1647775206 XPNBWQNJFHIGIZ-GOSISDBHSA-N 287.447 4.633 30 10 CJEE C=C(CSc1ccc(-c2ccccc2)cc1)C(=O)OCC 1651767602 ATAKCJIYYNZODD-UHFFFAOYSA-N 298.407 4.565 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H]1CCC[C@@H](C)C1 1652328421 AYRRHDCFERNWOH-HZPDHXFCSA-N 275.411 4.640 30 10 CJEE C=CCCCCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 1653456286 MTCFELADSVCQFJ-IEBWSBKVSA-N 271.448 4.858 30 10 CJEE C=CC(C)(C)CCNc1nc2cc(C)ccc2s1 1655703676 RJTOAFJCNOEHTO-UHFFFAOYSA-N 260.406 4.619 30 10 CJEE C#CCCCCCCOc1ccc2ccccc2c1C=O 1656045963 PQOSMYVLPUTESW-UHFFFAOYSA-N 280.367 4.615 30 10 CJEE CCCCCCCN1CCC[C@H]1c1ccccc1OC 1657179061 UBKBDIFQJNHXPU-KRWDZBQOSA-N 275.436 4.803 30 10 CJEE C[C@H](CCC#N)CN1CCC[C@H]1c1cccc2ccccc12 1657330513 DXAWDGVTACVOLZ-UZLBHIALSA-N 292.426 4.917 30 10 CJEE C#CC1(NCc2cccc(-c3ccccc3C)c2)CCCC1 1658484854 XFIVATVHDASCKG-UHFFFAOYSA-N 289.422 4.698 30 10 CJEE C=C(C)CN[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1658841676 QBBKLUABBRCHFD-HNNXBMFYSA-N 299.380 4.828 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](C)c1cccc(O)c1 1658843905 IMBZNTMTPPJGHP-HUUCEWRRSA-N 261.409 4.568 30 10 CJEE C#CCCCCCCNc1ccc(F)cc1SC 1659520991 ZTCZBWUCNQLBQL-UHFFFAOYSA-N 265.397 4.543 30 10 CJEE 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CCCCCCC[C@@](C)(O)C(=O)CCC[C@H]1CC1(C)C 1919406197 FNMUUYJKUFWDGP-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE Cc1nc([C@]2(C#N)CCCC23CCC3)sc1C(C)(C)C 1921627908 RTLANZPAZRRDDK-QGZVFWFLSA-N 288.460 4.865 30 10 CJEE CCCCCCCC[C@@H]1NC[C@@H](C(F)(F)F)C[C@H]1C 1922672766 TZQDDISOKBWNLB-RDBSUJKOSA-N 279.390 4.914 30 10 CJEE C=C([C@H](NC)c1cc2sccc2s1)[Si](C)(C)C 1922860559 PCEUOXMODDQSBQ-ZDUSSCGKSA-N 281.522 4.657 30 10 CJEE C=C(C)CC[C@H](C)NCc1csc2ccccc12 1964041352 AYZAPIHKXMPFHI-ZDUSSCGKSA-N 259.418 4.736 30 10 CJEE N#Cc1c(Cl)cccc1N1CC[C@H]2CCCCC[C@@H]2C1 1973625440 VOISCQOIBBWALD-ZIAGYGMSSA-N 288.822 4.618 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCCC(F)(F)C2)cc1Cl 1974285610 KOGKBPZZEJDSQK-GFCCVEGCSA-N 284.737 4.592 30 10 CJEE C=CCCCC[C@H](N)c1c(Cl)cccc1Cl 1984522102 QFEUNWWOKOXWES-LBPRGKRZSA-N 258.192 4.740 30 10 CJEE CCCCC#CCNc1ccc(Cl)c(Cl)c1 1994168518 HNJGLDFLWXZFOG-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(C)c1Cl 1996468714 DYXFZZRAZKNTCO-IUODEOHRSA-N 251.801 4.511 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(Cl)cc1 2000498610 ASCOHMDBERNUHX-OAHLLOKOSA-N 252.785 4.668 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc(F)cc(Br)c2)CC1 2010599353 BVGFIXNIMSZTTD-SECBINFHSA-N 297.167 4.517 30 10 CJEE CC(C)C(C[C@@]1(C#N)CCS[C@@H](C)C1)C(C)C 2015388635 WPMIFXVRBKEOCJ-DZGCQCFKSA-N 253.455 4.730 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C(F)F)cs1 2019775515 BTWGTQJYCRGMOY-NSHDSACASA-N 260.349 4.856 30 10 CJEE CCCC(C#N)(CCC)c1ccc(Br)cc1F 2025615836 XAUUWINKGDCNTF-UHFFFAOYSA-N 298.199 4.950 30 10 CJEE CCCCCCCC[C@]1(N)CCC[C@H]2CSC[C@H]21 2027564876 GIUQUOPJZWDYFC-XHSDSOJGSA-N 269.498 4.598 30 10 CJEE CCCCCCCCCCNC1C[C@H]2CC[C@@H]2C1 2029075594 SFYRQZCEKOOBHM-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE Cc1cc(Cl)ccc1C[C@]1(C#N)CCCC1(C)C 2032103333 ITERWBJWBNZTMW-INIZCTEOSA-N 261.796 4.911 30 10 CJEE C=C(C)CC[C@@H](NCCC)C(C)(C)C1CCCC1 2032305494 IJHMADVQYBBWAL-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC(=O)COCCCC 2038170351 DQOHPQNHKKRUIU-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE 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CCCCC#CC[C@H](NCCC)C(C)(C)CCC 2222293820 SGRGSQRBJFSXRO-INIZCTEOSA-N 251.458 4.765 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](CC)NCC 2223188166 JLUSOGSXNHDQHS-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCC#C[C@@H](NCCC)c1cc2ccccc2s1 2225434974 XEGVXFDPXGJRHH-OAHLLOKOSA-N 271.429 4.746 30 10 CJEE C=CCCCCCCCCO[C@@H](CC)CNC(C)C 2225686362 XWEJUJCSIJTKSE-KRWDZBQOSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC=C1CC[C@@H]2CCCN[C@@H]2C1 2227273804 SRQRCRPOQLUEFP-ZWKOTPCHSA-N 261.453 4.992 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)cc1F 2231483687 NMLYXTCYLZACIK-STQMWFEESA-N 283.818 4.602 30 10 CJEE C=CCCCCc1ccc2c(c1)[C@@H](NCCC)CC2 2231741141 FENWORDDSXBPOC-SFHVURJKSA-N 257.421 4.572 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)CCCCC 2231857725 UPVAMYWJVDVKPW-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE O[C@@H](CC#CC1CCCCC1)C1C[C@H]2CCC[C@H](C1)C2 2233626116 VCDIRANVFWCKCZ-LNLFQRSKSA-N 274.448 4.538 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)C1CC(C)(C)CC(C)(C)C1 2233798402 KKTDBXPFWUYDLE-INIZCTEOSA-N 277.496 4.867 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1cccc(C#N)c1N 2234437698 TZGFVBSZOOIJPQ-KRWDZBQOSA-N 274.408 4.514 30 10 CJEE C=CCCCCCCCNC[C@@H]1CC[C@@]2(C1)CC2(F)F 2235522143 QQGWTXGKJRGDBY-HZPDHXFCSA-N 285.422 4.928 30 10 CJEE C=CCCCCCCCOc1cc(Cl)ccc1CNC 2235524108 MSWNPZWJBFYREJ-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCCCCCC[C@]1(N)CCc2ccc(F)cc21 2235531560 AEQFFZBGUAKUIQ-SFHVURJKSA-N 275.411 4.843 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1CCOC12CCCC2 2235532166 HPGSMVDUMLZSLJ-IAGOWNOFSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1NCCC 2235533199 SAMWRLHNHSKGTQ-FUHIMQAGSA-N 299.439 4.894 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNC1CCC1)CC(C)C 2239501542 RCXRNPZKKJXUAL-ZWKOTPCHSA-N 281.484 4.695 30 10 CJEE C=C[C@](C)(CCCOC1CCCCC1)CN[C@H](C)CC 2240095413 JUZZCOCKZRDAJN-SJLPKXTDSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@]1(CN[C@@H](C)CC)CC(C)(C)CO1 2240125942 GQISMUICGIVNAG-FUHWJXTLSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCOCCC1(F)F 2240639745 IOARZLOMAWAELR-CABCVRRESA-N 291.426 4.529 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](OCC)C1CCC1 2240642205 JVHGALMJMGLUJF-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCOCC1(C)C 2240642321 LFMXHEKAUQTMKU-SJORKVTESA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H]2C[C@H]1C[C@H]2OC 2240643586 ZQXBLYLGNMZPEE-IECFSIQFSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CC(CC)CC)NC 2240665703 GBTVUKHEOJLFIF-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE C=C1C[C@H]1Cn1ccc2cc(Cl)c(Cl)cc21 2243569918 NHVKWWKXNBWZOH-JTQLQIEISA-N 252.144 4.524 30 10 CJEE C=C[C@@H](C)CCN[C@@H](CC)c1cccc(Cl)c1 2250900812 ATNZPEPIFCIKDE-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE CCCCCCC[C@]1(CN)CC(F)(F)C12CCC2 2254863390 OJLRBFRRDNQBKT-CYBMUJFWSA-N 259.384 4.501 30 10 CJEE C=CCCCCCCNc1ccc(OC)cc1Cl 2256219431 GKTWZANWGYERHG-UHFFFAOYSA-N 267.800 4.897 30 10 CJEE C=C(C)CCCC[C@@H](O)c1scc2c1CCCC2 2259233473 OPQCLKFKFNSUOX-OAHLLOKOSA-N 264.434 4.797 30 10 CJEE C=C(C)CCCCNC[C@H]1CCCC(C)(C)CC1 2259236821 HBBNYBAILNWQLH-INIZCTEOSA-N 251.458 4.929 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)cs1 2263060745 DLZVQWGMCUWEGG-CYBMUJFWSA-N 287.856 4.554 30 10 CJEE Cc1cc(Nc2snc(C)c2C#N)c(Cl)cc1Cl 2263170184 PXIMUGDGUBTWNH-UHFFFAOYSA-N 298.198 4.682 30 10 CJEE C=C1CC(CNCCC)(CC2CC3(CCCC3)C2)C1 2265210207 XIBORNZBBBHAQS-UHFFFAOYSA-N 261.453 4.683 30 10 CJEE N#C[C@@H](CSC[C@@H]1CCCCC1(F)F)C1CCCC1 2267903719 IFQXWHAJWQCGEK-KBPBESRZSA-N 287.419 4.875 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)C1(C)CCCCC1 2268727569 DCYRWQQTLHBPCD-GOSISDBHSA-N 262.437 4.704 30 10 CJEE CC[C@H]1CCC[C@](CN)(CC=CC#CC(C)(C)C)C1 2268753287 VDJXRIVQCKJVAL-FUHWJXTLSA-N 261.453 4.528 30 10 CJEE CC[C@@]1(C)CSC(=NCC[C@@H](C)CCCC(C)C)N1 2272260035 HXPKVEZAQKQHEA-HOCLYGCPSA-N 284.513 4.700 30 10 CJEE CC(C)CCC[C@@H](C)CCN(C)C1(C#N)CCCC1 2272356125 VCVHHDGBIBESSW-MRXNPFEDSA-N 264.457 4.607 30 10 CJEE C=C[C@@H](C)CCN[C@@H](c1ccco1)c1ccc(Cl)s1 2273032676 WVXHOIGHGTZOJX-ABAIWWIYSA-N 295.835 4.886 30 10 CJEE CSc1cccc(SC2CC3(CC(C)C3)C2)c1C#N 2273297881 GPEDOGMNQNWTIP-UHFFFAOYSA-N 289.469 4.951 30 10 CJEE CCCCCCCCC1(OCC(=O)O)CCCCC1 2274771792 MJBROAGKCQMQEF-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE C=CCCCCCC(CCC)(CCC)OCCCN 2276211832 GQLCHOSVGZMLEQ-UHFFFAOYSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H](C)C1)OCCN 2277129610 RDDOKDRVICXCPT-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C(C)C 2277295933 XAINZKBHDQZNER-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE O=C(C#CC1CCCCC1)c1ccc(C(F)(F)F)s1 2277877406 DKZQTSMVQJRGSO-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE CCCCCCCCC[C@]1(C)NC2(CO1)CC(C)C2 2278126723 GMANEGWFBNVIQI-AQFXKWCLSA-N 267.457 4.632 30 10 CJEE C=C=CCCC(=O)[C@@](C)(O)CCCCCCCCC 2278180962 PZAPZOSRISFNIV-KRWDZBQOSA-N 266.425 4.569 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)COC(F)F 2278229156 KQHJCVXIIMFPHZ-ZIAGYGMSSA-N 279.415 4.733 30 10 CJEE C=CC1(CNCc2cc(OC)ccc2Cl)CCCCC1 2283355123 BOEDPYSNSZMNCR-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCCCC12CCC2 2284072334 CXYANBPSWHMGDK-MRXNPFEDSA-N 272.432 4.912 30 10 CJEE CC(C)(C)C#CC=CCC1(O)CCC2(CCCC2)CC1 2284074888 BTJDLNQRSVCGAG-UHFFFAOYSA-N 274.448 4.848 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1c(F)ccc(Cl)c1F 2284092537 ZPSWOJFZDZELPY-UHFFFAOYSA-N 296.744 4.797 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C=O)CCCCC2(C)C)c1 2284356878 QKYRPFYBYPPEKK-KRWDZBQOSA-N 294.822 4.677 30 10 CJEE Cc1nc2ccc(Nc3ccc(C#N)c(Cl)c3)cc2s1 2285182772 OLROGQNFNQBLTC-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C=CCCCS[C@H]1CC(C)(C)C[C@@](C#N)(NCCC)C1 2287090057 OJYFFEKRPPHWJL-RDJZCZTQSA-N 294.508 4.526 30 10 CJEE CCCCCCCCCOc1c(C(=O)OC)csc1C 2287294054 OCMLATCJEBDLJJ-UHFFFAOYSA-N 298.448 4.973 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287414757 RIIDRUPEPXLBEQ-LVQVYYBASA-N 286.406 4.945 30 10 CJEE CC(C)NC[C@@H]1CC[C@@H](C)C[C@@H]1CC#CC1CCCC1 2289873167 AYCLIFHBIANVGI-NEWSRXKRSA-N 275.480 4.621 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2CC(C)(C)CCC2(C)C)N1 2290305031 LAJZNFDNTDSZGX-SUMWQHHRSA-N 296.524 4.843 30 10 CJEE Cc1cc(C#N)ccc1N[C@H]1CC(C)(C)CCC1(C)C 2290345830 PMYHZFAFMFCUQG-INIZCTEOSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@H](CCC(C)(F)F)OCC(=O)O 2292221670 GZZZVSDMDVYWRQ-CYBMUJFWSA-N 294.382 4.642 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)C1CCCCC1 2292418722 RHDCZMQPRBAMIE-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@]1(OCCCN)CCCCC[C@H]1C(C)C 2292735667 YVSMGXZCTJRBJN-ROUUACIJSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2292899616 RRARBLGUYIQDNM-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@H](OCCCN)c1ccc(C(C)C)cc1 2293060119 DRRXXYWFWUGDMO-SFHVURJKSA-N 275.436 4.573 30 10 CJEE C=C([C@@](C)(OCCCN)C1(C)CCCCC1)[Si](C)(C)C 2293323005 RZNROSFLNBCGNH-QGZVFWFLSA-N 297.559 4.515 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@H]1C(C)C 2293371579 DIFONLQURHBTFN-ROUUACIJSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cscc1OC 2293654139 FMWUWFUMAWLTFL-HNNXBMFYSA-N 299.480 4.524 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)c1ccc(C)s1 2293877905 CHJOMZUOQNRMSB-QGZVFWFLSA-N 295.492 4.774 30 10 CJEE C=C(C)CCCCC1(OCCCN)C[C@H](C)C[C@@H](C)C1 2293879008 NCIXDPCHTMGABY-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)[C@H](C)CC(C)C 2294017847 IKKVXIDIDAFMNE-MSOLQXFVSA-N 283.500 4.929 30 10 CJEE C=CCC[C@](C)(CC[C@H]1CCC[C@H](C)C1)OCCCN 2294184327 YOLXEEVRDQORAQ-RCCFBDPRSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@H]1CCC[C@H](CC)C1 2294220860 HBSZJMNYCGTHIF-XSLAGTTESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@](CC)(OCCCN)[C@@H]1C[C@H]1C 2294567947 KVKHNEMRMUAKHH-KURKYZTESA-N 283.500 4.907 30 10 CJEE Cc1c(C)c(C)c(C[C@@]2(C=O)CCC2(C)C)c(C)c1C 2294721163 LLDUZWAWYYSPQI-LJQANCHMSA-N 272.432 4.777 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@]12COC[C@H](C1)C2 2295587975 LNQISUYZGAGZLP-KURKYZTESA-N 282.468 4.695 30 10 CJEE C=CC=CCC[C@@H](N)[C@](C)(O)CCCCCCCCC 2295677812 VPGRHSWKCSMOBV-QZTJIDSGSA-N 281.484 4.728 30 10 CJEE CCCC[C@H](CC)CSCCOc1cccc(C#N)c1 2295697367 REYBKPCIXLJQRD-HNNXBMFYSA-N 291.460 4.887 30 10 CJEE CC[C@@H](OC[C@@](C)(CS)C(C)(C)C)C1CCC1 2307101436 ARAXOFIBBIHVKB-HIFRSBDPSA-N 258.471 4.564 30 10 CJEE O=C(C=Cc1sccc1Cl)c1ccc(F)cc1F 2312222803 LOGWZFPDDIHVBX-UHFFFAOYSA-N 284.714 4.576 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@@H](SC)C1 2314259898 XIBOKBOPQWGMIG-XHSDSOJGSA-N 271.514 4.857 30 10 CJEE C=CCCCCCCCC1(N)C[C@H](C)S[C@@H](C)C1 2317648032 FDDHPWDLNDLNSM-GJZGRUSLSA-N 269.498 4.905 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1(Cl)CCCC1 2318304460 YPJOMKXIPDSOBY-KFWWJZLASA-N 269.860 4.651 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2325192952 NNGKDJRAKTVRMF-CQSZACIVSA-N 289.177 4.934 30 10 CJEE CC(C)(C)[C@](C)(CS)COCCCCC(F)(F)F 2327113999 YFHBFIVTQNSNCQ-LBPRGKRZSA-N 286.403 4.718 30 10 CJEE CCCCCCC(=O)ON=C(C)CCc1ccccc1 2329927879 PFJQCWXPVXPAQA-UHFFFAOYSA-N 275.392 4.509 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2332702350 CBXOJVJUSOQEOH-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]1CCC 2332706029 ZPILXHGSFDEKED-KZNAEPCWSA-N 257.421 4.504 30 10 CJEE C=CCCCCCCCCN1C[C@H]2C[C@@H]1C(F)(F)C2 2333362470 AMZYJPUEFYUFST-LSDHHAIUSA-N 271.395 4.633 30 10 CJEE CC(=CCOc1cccc(C#N)c1)CCCC(C)C 2338468138 PBMQPPORDBBQIE-UHFFFAOYSA-N 257.377 4.710 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2 2338743139 BYWRVUUFKVOVOR-LAVFITLUSA-N 261.453 4.559 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCS1 2338905063 XVAVYPQYBUCNES-XAJHFOFHSA-N 280.477 4.694 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(F)c(C)c1Cl 2339225209 NMVUPLLFUCVRNF-IUODEOHRSA-N 281.802 4.622 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)ccc1C1CC1 2341787360 HNOFEQJSSUWNHF-UHFFFAOYSA-N 258.336 4.776 30 10 CJEE SCC1(COCC[C@@H]2CC[C@H]2C2CC2)CCCCC1 2342407233 XLFLDSMJWDWQPG-HOTGVXAUSA-N 282.493 4.710 30 10 CJEE CC(C)c1cccc(C[C@]2(C=O)CCCC23CC3)c1 2343744831 FMKAJPCSUWFWPU-SFHVURJKSA-N 256.389 4.502 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(CC2CC2)cc1 2344337860 VBULEGPZZVOBFS-QGZVFWFLSA-N 257.421 4.502 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(C(C)(F)F)cc1 2344348802 NRGBXUUIMDKEJV-LSDHHAIUSA-N 267.363 4.791 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@@H]1C1CCCCC1 2344359639 YVLLSZBWPGQVPR-MLHJIOFPSA-N 263.469 4.913 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc2ncsc2c1 2344382910 QSTINPJFSLYHQS-HZPDHXFCSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc2c(c1)CCCC2 2344468556 PDUOLGRNQGWTEQ-ZWKOTPCHSA-N 258.405 4.591 30 10 CJEE C=CCCCCCCCS[C@@]1(C(=O)O)CCC[C@@H]1C 2352151045 XVNJRZKTWOEIQF-HOCLYGCPSA-N 284.465 4.890 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@]2(C)CCC[C@H]12 2352177265 VXXJDDRGPNRRAU-UAGQMJEPSA-N 283.525 4.623 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C1CCCCC1 2358286606 QGNDTPWPKVXVLR-RCCFBDPRSA-N 278.484 4.561 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2359662199 QKJONLSLGQMBSA-XUWVNRHRSA-N 285.422 4.782 30 10 CJEE Cc1cc(C#N)cc(C)c1OC(CC1CC1)CC1CC1 2360312884 AQXXQRKQBBOUGH-UHFFFAOYSA-N 269.388 4.523 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc(CC(C)C)cc1 2360324122 NLWRQFIXHRNQPP-CRAIPNDOSA-N 291.504 4.843 30 10 CJEE C=CCCCN[C@@H](Cc1ccccc1)c1ccccc1 5631188 HDNLSTWOGJGPJL-IBGZPJMESA-N 265.400 4.526 30 10 CJEE CCCCCC[C@@H](C)OCc1cc(C#N)ccc1F 20514311 MLKNOQJLFPNLGC-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE Cc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1 35924388 PEOSULIFVYUPML-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE in-vivo C#Cc1cccc(N[C@@H](C)CC(C)(C)c2ccccc2)c1 37185152 CZQFHBKKSHDGEK-INIZCTEOSA-N 277.411 4.836 30 10 CJEE C=CCSc1ccccc1NCc1ccc(OC)c(C)c1 37766617 XDDKDLNLGUAESY-UHFFFAOYSA-N 299.439 4.894 30 10 CJEE Cc1ccc([C@H](Nc2cc(C#N)ccc2C)C2CC2)cc1 50429934 QTHCJOXYFXASIP-IBGZPJMESA-N 276.383 4.738 30 10 CJEE C[C@H](N[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 55018186 LNJFFAJYQDWPDS-SUMWQHHRSA-N 284.790 4.646 30 10 CJEE CCCCCCCc1noc(N)c1-c1ccccc1C 59211549 RYXAGYKBUHNNSM-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE N#Cc1cc(N[C@H]2CCCc3sccc32)ccc1Cl 61326510 ABZGNJRDHQDYTE-AWEZNQCLSA-N 288.803 4.763 30 10 CJEE N#C[C@H]1CCCC[C@H]1c1cc(Cl)cc(Cl)c1 62625231 XEHYNDPYWLRFJL-NOZJJQNGSA-N 254.160 4.791 30 10 CJEE N#Cc1ccc(Nc2cccc3cnccc23)c(Cl)c1 62793692 OVWADMTYKKKSOZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C[C@H]1CCC[C@@H](CCNc2ccc(C#N)c(Cl)c2)C1 70539720 IFCKFFRJXKHMTQ-STQMWFEESA-N 276.811 4.840 30 10 CJEE C=C(Cl)CNc1c(Cl)cc(Cl)cc1Cl 71126132 FCOLQHFUCJXFNU-UHFFFAOYSA-N 270.974 4.811 30 10 CJEE N#Cc1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1 76039487 ZGAYOZIVKDCUGW-UHFFFAOYSA-N 295.345 4.564 30 10 CJEE CC(C)c1cc(CC#N)c2c(Cl)cc(Cl)cc2n1 82468082 NDXJWVLXFVYLFK-UHFFFAOYSA-N 279.170 4.731 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1coc2ccccc12 83798790 NKQBDNZAXSSMBE-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCOCCC(C)C)C1 87972565 UQDDZHXBULPYME-JKSUJKDBSA-N 251.414 4.549 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](C(=O)O)C1 88230943 QZOAFVBDHUKEOD-KRWDZBQOSA-N 297.483 4.704 30 10 CJEE CCCCCCCCCCN(CC)[C@@H]1CCCC[C@@H]1CN 91323711 HKOOHWJFWHEBKV-RTBURBONSA-N 296.543 4.967 30 10 CJEE Fc1ccc(SC[C@H](CS)c2ccccc2)cc1 94588744 KNGQJTAFMPHAFY-ZDUSSCGKSA-N 278.417 4.631 30 10 CJEE CCCCCCC[C@@](C)(NCC)c1nc(C)c(C)s1 109689619 IUJNDTOVKOSTRE-MRXNPFEDSA-N 282.497 4.945 30 10 CJEE CCCCCCCC(=O)Cc1ccc(Br)cc1 109708699 KLDSQBKTTGPINN-UHFFFAOYSA-N 297.236 4.921 30 10 CJEE CCCCCCCCCCCCN1CCC(C=O)CC1 110258164 MYDWCRJBARMFGL-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1ccc2c(c1)CCC2 110354148 VIHNOTGBXWSFMA-UHFFFAOYSA-N 285.799 4.852 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1CNCC(C)C 111610771 JKGQBPPPYIVQED-LJQANCHMSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C)c(O)c1 115858585 ZKRMGHRBZUQDRF-UHFFFAOYSA-N 277.408 4.780 30 10 CJEE CCCCCCC[C@H](CO)Cc1ccccc1Cl 117329223 QUAIYYWJWNLFDR-AWEZNQCLSA-N 268.828 4.852 30 10 CJEE CCCCCCCCCN(C)C1CCC(NCCC)CC1 118259191 RBUSXVUZXHFJIZ-UHFFFAOYSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(OC)cc1C 122089521 INCYXLPCWGMVOW-GOSISDBHSA-N 292.467 4.649 30 10 CJEE CC#CCC[C@@H](NCCC)c1cccc(Cl)c1Cl 124689482 LNEDPASWBDWGPX-CQSZACIVSA-N 284.230 4.838 30 10 CJEE CCCCCCCCC[C@H](NC)c1cnn(CCC)c1 125636889 KDEYIACGLGDZJN-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CCCCCCCCC[C@@H](CSC1CCCC1)NN 126629464 MWXQSMCZANEFPM-HNNXBMFYSA-N 286.529 4.635 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cccc(SC)c2C#N)C1 127071826 PKMMFAFJNKRYCD-OLZOCXBDSA-N 274.433 4.661 30 10 CJEE N#CC1(Br)CCCCCCCCCCC1 127592078 HWAVPPYZKIFGED-UHFFFAOYSA-N 272.230 4.948 30 10 CJEE C=CCC[C@@H](NCC)c1cccc(Cl)c1Cl 129072031 PBNQZZKKACQJHG-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE C#CC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 129867799 TWJVCMXTZNRSHN-DTWKUNHWSA-N 290.621 4.709 30 10 CJEE CCCCCN(c1cccc(SC)c1C#N)C(C)C 136646730 KPVAOTGSSTVEDQ-UHFFFAOYSA-N 276.449 4.685 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cccc(F)c1F 148692628 ITXPGEWPNNKPRA-OAHLLOKOSA-N 283.406 4.975 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)C 156070086 MDEMFKHVVBDJFH-IXDOHACOSA-N 251.458 4.783 30 10 CJEE Cc1ccc(NCc2ccc(C#N)cc2Cl)c(Cl)c1 162603376 OZLJIEBQYTVDJB-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE Cc1ccc(C(C)C)cc1OCc1cc(F)cc(C#N)c1 163570708 XLTNDTXSVLJNHR-UHFFFAOYSA-N 283.346 4.708 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1cc(F)cc(C#N)c1 163709797 AKXQAGMIANBTBB-CYBMUJFWSA-N 283.346 4.790 30 10 CJEE CCC(CC)(CC)Nc1ccc(C(F)(F)F)c(C#N)c1 164479934 GMNSOBDGIJGVLL-UHFFFAOYSA-N 284.325 4.958 30 10 CJEE CCCCCCCCC(=O)Cc1cc(C)ccc1OC 164583387 LZZNUHQVXIQCKB-UHFFFAOYSA-N 276.420 4.866 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(OC)c(C)c1 214934032 HKJQXUHWYHYYLD-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCC[C@H]1N 226475739 SNKRCZJUJPEOTD-HZPDHXFCSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCCn1cncc1[C@@H]1CCCCN1 228972642 MUHIVYBGGHDBMQ-KRWDZBQOSA-N 291.483 4.838 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 230988019 PQMSVFSWSDWYEP-TZMCWYRMSA-N 276.811 4.838 30 10 CJEE CC(=O)/C(C)=C/c1ccc(-c2ccc(Cl)cc2)o1 231746160 QZTBJQXLDBFCGW-MDZDMXLPSA-N 260.720 4.592 30 10 CJEE CCCc1ccc(Nc2ccc(C)cc2C#N)cc1 233409693 LOUFAQWJXIHBHN-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCc2ccccc2C1 234453155 DJYOGSRTDMUOFL-RTBURBONSA-N 271.448 4.516 30 10 CJEE Cc1ccc(CC(=O)C2=CC[C@H](C)CC2)c(Cl)c1 235289183 UXPNJNKCUADXJP-NSHDSACASA-N 262.780 4.506 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H]2CCCC(F)(F)C2)CC1 306024354 QNZZACYGPPTDBV-NEPJUHHUSA-N 256.336 4.518 30 10 CJEE C=CCC[C@H](C)NCc1ccc(OCc2ccccc2)cc1 309932490 ZQGBDWUEDGLFJY-KRWDZBQOSA-N 295.426 4.710 30 10 CJEE C=CCCCCCCNc1ncnc(Cl)c1C(C)C 312053870 DICAMOMZHPZANQ-UHFFFAOYSA-N 281.831 4.802 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccsc2Cl)c1 312544472 NPJUVFDWBVBVCB-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)c2ccsc2Cl)CC1 312659265 BLZUSALCSULRMY-GLWUULTISA-N 297.851 4.791 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316784515 WDZADCWGMSJDOI-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CC(C)C1CCC(C#N)(CCOCc2ccccc2)CC1 381062892 LQUQQPYGEUKYRQ-UHFFFAOYSA-N 285.431 4.949 30 10 CJEE CCCCCCC[C@@H](N)c1sc(C)cc1CC 383859244 NLLBEXROLZCGEL-CQSZACIVSA-N 253.455 4.979 30 10 CJEE Fc1ccc(SC(F)(F)F)c(C(F)F)c1F 396117153 YJWVKZOZZZYIHG-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE N#CCc1cc(Cl)c2ccsc2c1C(F)F 396185550 DRDZKDUKDYLHIB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCCNC[C@H](C#N)C(C)C 397537315 IBTLWTZSSCHFRY-INIZCTEOSA-N 252.446 4.512 30 10 CJEE CC[C@](O)([C@H]1CC1(C)C)C1(C#N)CCC(C(C)C)CC1 397739073 YMRCHASWFQUFRT-LSCKAKRGSA-N 277.452 4.530 30 10 CJEE C[C@H](C[C@@]1(C#N)CCc2ccccc2C1)C1CCC1 398701093 JWZTXGWZBQKGCS-KDOFPFPSSA-N 253.389 4.512 30 10 CJEE N#CCc1ccc(CSCc2ccccc2Cl)cc1 399172978 GXGCDJQLCQXROZ-UHFFFAOYSA-N 287.815 4.839 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]1(C)C[C@H]1F 399263851 DIZSJASYWRBYKM-OWCLPIDISA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@H](CC1(COC)CC1)NCC 401267182 UNCFVJPEULNBMA-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H](CC)CC(F)(F)F 402547263 DVJKUKKSCAYIHG-KGLIPLIRSA-N 279.390 4.793 30 10 CJEE C=C(C)CCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1NCC 403363078 FKNFRHBJWXZZPO-IXDOHACOSA-N 281.484 4.552 30 10 CJEE Cc1ccc(SCc2ccc(C#N)c(F)c2)cc1C 404759876 QXRJHIUWKKPXKV-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 485839894 JGILUWDKHVFDRT-STQMWFEESA-N 274.433 4.692 30 10 CJEE C=C[C@H](CC(=O)N[C@H](CC)c1ccccc1)c1ccccc1 677510507 GEXIZEDJXZUYCV-VQIMIIECSA-N 293.410 4.614 30 10 CJEE C#CCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 686674958 YOTVQVIHJFFXBB-CQSZACIVSA-N 271.187 4.611 30 10 CJEE CC[C@](O)([C@@H]1C[C@H]1C)C1(C#N)CC(C)(C)CC(C)(C)C1 688314877 BKJNCODDOBECRP-LBTNJELSSA-N 277.452 4.530 30 10 CJEE CCN[C@@H](C)c1ccc(S[C@H](C)CC(C)(C)C#N)cc1 695776396 DGCQQKHHHZKOCR-KGLIPLIRSA-N 290.476 4.778 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(N)c1C 696035846 ULBUYIRGGFGWHE-QGZVFWFLSA-N 263.425 4.751 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1C1CC1 696142784 IDJHRAHJTPQLDN-HUUCEWRRSA-N 274.795 4.592 30 10 CJEE CC[C@H](C)CCNc1ccc(C#N)c2ccccc12 696227563 DSTAVZYGJDYIPI-ZDUSSCGKSA-N 252.361 4.560 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1N 698762241 DPPHEYIWBBGZAY-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C=O)CCc2ccccc21 703826071 ZAMUUFIMDVQEHQ-KSSFIOAISA-N 258.405 4.532 30 10 CJEE C=CCCC(C)(C)CNCC[C@@H](C)c1ccccc1 703989248 NZJWAGBMGONOAV-MRXNPFEDSA-N 259.437 4.762 30 10 CJEE CCCCCCCCC[C@@H](CC1CC(OC)C1)NC 704189469 YNZJXYYCSFOAQC-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)C[C@@H]1C 705347249 NNUSWDUDZBEDDL-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE C[C@H]1C[C@]1(C)CN(C)CCCCCCCCCS 707411983 DQZYKBZKPFLCGJ-JKSUJKDBSA-N 271.514 4.625 30 10 CJEE C[C@@H](CC(C)(C)C#N)N1CCC(C2CCCCC2)CC1 708771236 VMPGDYBEWXELSR-HNNXBMFYSA-N 276.468 4.607 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(CC#N)cc1 709152393 VICSEDALSCWNSN-RDJZCZTQSA-N 256.393 4.523 30 10 CJEE CCCCCCCC[C@@H](NC)C1CC(C2CC2)C1 714465187 OMWSCXRFZGOPRL-OFLPRAFFSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(SCC)cc1 715798828 LXNRQWCGTCUKQU-BBRMVZONSA-N 263.450 4.661 30 10 CJEE CCCCCCC[C@@H](C)NCC1C[C@@H]2CC[C@H](C1)S2 716030567 SBYACJADPOKCHR-MGNMYUMUSA-N 283.525 4.999 30 10 CJEE O=C(C1=CCCCCCC1)C1C[C@@H]2CC[C@H](C1)S2 716050508 VRVJBQVWRAULNK-GOOCMWNKSA-N 264.434 4.510 30 10 CJEE CC(C)=C(C)CC[C@]1(C=O)CCCc2ccccc21 718697595 KYVSZFRGYLYNLC-SFHVURJKSA-N 256.389 4.596 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 723629842 XDIRXUHDNIUSOK-BSDSXHPESA-N 281.484 4.530 30 10 CJEE CCCCCCCCCN[C@@H](CC)[C@H]1CCCOC1 723965774 QIPNMOFXDRNWHY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)CC(C)(C)C1 821986491 ABUIYEWVDZRVJF-VQHPVUNQSA-N 263.469 4.926 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(C2CC2)cc1 1126063631 URIBMVBXXQTUDP-UHFFFAOYSA-N 297.442 4.773 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H]1CCCCC1(C)C)c1ccccc1 1126988683 KDHOSOJHHLHWRD-MSOLQXFVSA-N 299.458 4.821 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1 1174891708 VGERDEHKUCFEIB-OAHLLOKOSA-N 283.440 4.813 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CCCC[C@@H]1C 1190707594 KLRVNTFEHFDHIL-PKOBYXMFSA-N 271.448 4.543 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCCc2ccccc2C1 1207708431 ULMVLVKZPPRKIC-OALUTQOASA-N 271.448 4.659 30 10 CJEE C=CC[C@@H](C)NCc1cccc(-c2ccc(C)cc2)c1 1308268930 MIHMHGLLCRQKLJ-MRXNPFEDSA-N 265.400 4.716 30 10 CJEE C=CCCC1(CNCc2cc(F)c(F)c(F)c2)CCCC1 1308463699 MATISKOXPQXOOA-UHFFFAOYSA-N 297.364 4.720 30 10 CJEE C=CCC[C@H](C)NC[C@@H]1CCC[C@H]1c1ccccc1 1308785452 CWADNABHIJYTGR-SZMVWBNQSA-N 257.421 4.515 30 10 CJEE C=C(C)CN(CC)C(=O)[C@H](CCC)CC1CCCCC1 1352045852 CQGFZDORKUDHOQ-QGZVFWFLSA-N 279.468 4.798 30 10 CJEE C=CC1(CC(=O)N(C2CC2)[C@@H](C)[C@H](C)CC)CCCCC1 1353083875 UBAWTIFWTCAASO-CVEARBPZSA-N 291.479 4.939 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(CCCC)cc1 1353217512 BTJGZTJPQRNSLM-CQSZACIVSA-N 259.393 4.570 30 10 CJEE C=C1CCC(C(=O)Nc2c(CC)cc(C)cc2CC)CC1 1436104813 WAFYQPWPBQGYCN-UHFFFAOYSA-N 285.431 4.805 30 10 CJEE C=CCCCN[C@@H](c1ccc(F)cc1)C1CCCC1 1459867741 LINWUKBBDLZEKL-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)Cc1oc2c(C)cccc2c1C 1461339032 NSEUQRIBRPIUTK-LJQANCHMSA-N 299.414 4.610 30 10 CJEE C=CCCCCNCc1cc(-c2ccccc2)ccc1OC 1461455985 IHKHWUNXNYCWJJ-UHFFFAOYSA-N 295.426 4.808 30 10 CJEE C=CCC[C@H](C)Nc1cnn(CCC(C)C)c1C(C)C 1462189858 KKSVQXFQKOKPOB-HNNXBMFYSA-N 277.456 4.819 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(CC)CCCC2)c1 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CCCCCCCCCCOC[C@]1(C)CC(F)(F)CN1 2159051148 IDJGMKHQHBKLPP-HNNXBMFYSA-N 291.426 4.531 30 10 CJEE C#Cc1ccc(CN[C@H]2CCC[C@@H](CCC)CC2)cc1 2159459810 ATHFSSIKLTXSLY-MJGOQNOKSA-N 269.432 4.507 30 10 CJEE CC[C@@H]1CCC[C@@H](CN=C2N[C@H](C(C)C)CCS2)CC1 2159519034 PLOZQNUFGKFPPD-OAGGEKHMSA-N 296.524 4.700 30 10 CJEE C[C@@H]1CCC[C@]2(CSC(=N[C@]3(C)CCCC3(C)C)N2)C1 2159712115 CNMUFWSHYBQLRZ-KBRIMQKVSA-N 294.508 4.597 30 10 CJEE C=C1CC(CNCC(C)C)(CC2[C@H]3CCCCC[C@H]23)C1 2167374704 KGSWLXQAILKWQW-IRXDYDNUSA-N 275.480 4.785 30 10 CJEE C=CC1(C[C@H](NCCC)c2cc(F)cc(F)c2)CCC1 2168024939 YIGGZJFTXRYVJP-INIZCTEOSA-N 279.374 4.752 30 10 CJEE CC(C)(C)C1CCC(N(CCC#N)CC2CCC2)CC1 2170197692 OQBFUTUUGXADHG-UHFFFAOYSA-N 276.468 4.607 30 10 CJEE C[C@H]1NC(=NCC2(C)CCCCCCC2)SCC1(C)C 2172661286 FUAHFQHJZLCMOB-CQSZACIVSA-N 296.524 4.844 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CC(C)(C)OC1(C)C)NCCC 2173289649 GHLBJZPDJNBXKT-HRCADAONSA-N 281.484 4.551 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc2c1CCCC2 2173290934 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CJEE CCCCCC#CC[C@H](O)c1c(C)oc2ccccc12 2203779673 AQRPBDMOPYEOSX-INIZCTEOSA-N 270.372 4.748 30 10 CJEE CCCCC#CC[C@@H](Cc1cccc(Cl)c1F)NCC 2203788352 XRWXLIDYKWARHN-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc(C(C)(F)F)cc1 2203826363 GIGCGUFOAQRVHN-MRXNPFEDSA-N 279.374 4.643 30 10 CJEE C=CCC[C@H](NCCC)c1nnc(C2CCCCC2)s1 2204919620 KNIHMXVTTJHNMU-AWEZNQCLSA-N 293.480 4.593 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CC[C@H](N)CC1 2205422968 RBXZGSRYJVHILY-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE C=CCCCCCCN1CCCC[C@@H]1[C@H]1CCCCO1 2206896725 HOHKWJGKZZJTMR-QZTJIDSGSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCC(=O)C[C@@H](C)c1ccc(N)cc1 2206897704 NWEITGXKJHVGNI-OAHLLOKOSA-N 273.420 4.858 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H](C)O[C@@H](C)C1 2207375447 BTJNFIOHTGZNNK-MSOLQXFVSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCN1CC[C@H](OC)[C@@H]1C(C)C 2207382694 VAJZLRJSQBBPCF-ROUUACIJSA-N 281.484 4.648 30 10 CJEE C=CCCCCCCCCN[C@@H](C)Cc1ccncc1 2207395034 BKTRSDRIGSJVRS-KRWDZBQOSA-N 274.452 4.519 30 10 CJEE 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4.510 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)cc1C 2250163417 KIMYWPWGUYBOOQ-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE Cc1cccc(OCCCCCCCS)c1C 2252622799 KLOQZZVZHRKWSA-UHFFFAOYSA-N 252.423 4.563 30 10 CJEE Cc1cc(C#N)ccc1CSCC1=CCCCC1 2255127213 DMNOHVODTNEOJW-UHFFFAOYSA-N 257.402 4.600 30 10 CJEE C#CCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2258561134 DOXNVCDJXJSEPJ-HNNXBMFYSA-N 284.230 4.885 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(Cl)c(OC)c1 2259180804 DPZOEHKVHPBMSX-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE CCCCCCCCCCSC[C@@H]1NCC[C@@H]1C 2260354059 FECUEGKJKKODGM-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@](C)(CC(C)(C)C)OCCN 2262335001 MFQXMQBFTSRCLV-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CC1(C[C@]2(C=O)CCCC2(C)C)CC(C(F)(F)F)C1 2264524548 KRFPCYXCGZOHCJ-UBHUBRDASA-N 276.342 4.751 30 10 CJEE CC1(C)CC[C@@H]1C[C@]1(C#N)CCc2ccccc2C1 2266267094 BXPAGNLLIWHTIB-AEFFLSMTSA-N 253.389 4.512 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1csc(C2CC2)c1 2267885926 GVJLFJFTXGQYKY-UHFFFAOYSA-N 288.803 4.763 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cc(CF)ccc21 2268438975 JWLZYQAOPKBANY-LLVKDONJSA-N 278.396 4.712 30 10 CJEE C=CCCC[C@@H](NCC)c1nc(C)cc2sccc12 2270635130 WZGJFVPRNRUSOM-CQSZACIVSA-N 274.433 4.612 30 10 CJEE C=CCCCS[C@H]1CCCCCC(F)(F)[C@H]1NCC 2271486845 BOLCOOFDQBHQJV-KBPBESRZSA-N 291.451 4.632 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC(F)(F)[C@@H]1N 2271594449 NNDQDJJXINCDRN-UONOGXRCSA-N 291.451 4.761 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(OCC)CCC[C@H](C)C1 2271751918 BSEDZEOANBWLSE-DOTOQJQBSA-N 266.425 4.677 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(OCCC)c1 2271790098 ZAYRQMZGASXBOT-QGZVFWFLSA-N 262.393 4.645 30 10 CJEE O=C[C@]1(C[C@@]23CCC[C@@H]2CC3)CCCCC12CCC2 2273409650 UDFRQOFQHRHATD-SOLBZPMBSA-N 260.421 4.886 30 10 CJEE CCCCCCCCCCCC[C@@H](C)OCC(=O)O 2274765714 QTINEUQVBSMTSP-OAHLLOKOSA-N 272.429 4.787 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1cc(C)cs1 2276146381 XZVQEMROXAIWPN-OAHLLOKOSA-N 281.465 4.600 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C1=CCCC1 2276287415 VJXNCJKJSOVDKN-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CC(C)CCN(CC(C)C)c1ccc(C#N)c(Cl)c1 2277479444 WHYBVRAWBFAFBV-UHFFFAOYSA-N 278.827 4.720 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccncc1F 2278179204 WJYMZUXGWPLMEH-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@H]1OC 2278239772 MMZNERYZCVLVID-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCCOCC 2278245499 GMDDXBBUQKTOAD-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=C([C@@H](NCCC)c1cc2cccnc2s1)C(C)(C)C 2280200397 UKSBCOHODZOBQA-OAHLLOKOSA-N 288.460 4.939 30 10 CJEE CC1CC2(C1)CC([C@]1(C#N)CCc3ccccc3C1)C2 2280393659 OYOWCKYSKGXOTN-AQBRWLJTSA-N 265.400 4.512 30 10 CJEE Cc1cc(F)c([C@@H](C#N)Nc2ccc(Cl)cc2)c(F)c1 2283530345 HESVHWFLLFGHFB-CQSZACIVSA-N 292.716 4.603 30 10 CJEE Cc1ccc([C@@](C)(O)CC=CC#CC(C)(C)C)cc1C 2284076697 MVDHICZERXYQTL-IBGZPJMESA-N 270.416 4.507 30 10 CJEE Cc1cc(C)c(C)c([C@H](N)CC=CC#CC(C)(C)C)c1 2284165710 DUMWSBDVJSTSHT-GOSISDBHSA-N 269.432 4.607 30 10 CJEE CCCCCCCCC[C@H](O)c1cn(C(F)F)c(C)n1 2284774422 RMIMNQTUPFYGJR-AWEZNQCLSA-N 288.382 4.761 30 10 CJEE C[C@H](CC(C)(C)C#N)OC1(C)C2CC3CC(C2)CC1C3 2287240954 AVPHXMIEWGUEED-XKMJEZSVSA-N 275.436 4.546 30 10 CJEE C=C(C)CCCCC1(CNC(C)C)C[C@@H](C)O[C@H](C)C1 2287371575 DFZWBKVZSQMBTC-IAGOWNOFSA-N 281.484 4.695 30 10 CJEE C=C(C)CCCCOc1cccc([C@H](CC)NCC)c1 2287414308 OTMPGUJOBXLXGQ-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCC[C@](C=O)(CC)CN(C)C1CCC(C)(CC)CC1 2287681532 PPWMJGDDIWMKPN-DAWZGUTISA-N 281.484 4.673 30 10 CJEE C=C[C@@H](C)CCN(C)c1ccc([C@@H](C)NCC)c(Cl)c1 2288893644 BEWIWYMQTWXFGJ-ZIAGYGMSSA-N 294.870 4.659 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1ccc(CC)s1 2291440573 OPOJNGDRKKLHGZ-CQSZACIVSA-N 296.432 4.589 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)C1(C)CCCCC1 2292707841 BLFBDWXWANWJPI-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@](C)(OCCCN)[C@@H]1CCC1(C)C 2292791680 IXYKCPJMLKRACK-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(F)cc1Cl 2292886713 YTMVOFRDBNLGNA-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=C1CCC(C[C@@](CC)(OCCCN)C(C)(C)C)CC1 2292906040 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CCCCCCCCC[C@@](C)(O)c1nsc(C2CC2)n1 2295584213 YQMNQHBXXFJQGO-MRXNPFEDSA-N 296.480 4.764 30 10 CJEE C=CC[C@@H](C)Sc1csc(CN[C@@H](C)CC)c1 2298931136 WEHLMSFXRWUMRN-NWDGAFQWSA-N 269.479 4.693 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1C[C@@H]2F 2308590118 HOIICSZFCMJBLW-YHUYYLMFSA-N 256.405 4.626 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2309180619 GSEXSRIAYHILGH-DRRXZNNHSA-N 250.426 4.556 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@@H]1N 2313525001 ROWKDPNLHHOJIC-CWRNSKLLSA-N 267.482 4.537 30 10 CJEE C=CC[C@@H](C)Sc1c(Cl)cccc1C[C@@H](N)CC 2313531173 GFEAKEPIADQQLN-YPMHNXCESA-N 283.868 4.677 30 10 CJEE C=C(Cl)CON[C@H](CCCCC)c1ccccc1 2313800112 GFTWPMFBAFCLAU-OAHLLOKOSA-N 267.800 4.582 30 10 CJEE C=CCC(CC=C)[C@]1(O)CC(C)(C)CCC1(C)C 2316716075 VDTCKDMZCGAWOS-QGZVFWFLSA-N 250.426 4.722 30 10 CJEE COc1c(Cl)cc(CC2(C#N)CCCC2)cc1Cl 2317896846 YCMRLSCJTYLGMB-UHFFFAOYSA-N 284.186 4.628 30 10 CJEE CC(C)=CCC[C@H](C)Oc1cc(Cl)ccc1C#N 2319102268 PVVGSRLNGKEYPX-LBPRGKRZSA-N 263.768 4.725 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C)(C)C(F)(F)F)NC 2321148031 MHFWMFYRNJTIDJ-WCQYABFASA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1csc(C(C)(C)F)n1 2321179955 NSUUTJGDBBYSLF-CQSZACIVSA-N 269.385 4.523 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1ccc(C)cc1C 2322565390 PHUAYNHDAVVEQN-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cccc(SC(C)C)c1 2327766263 BQWOXCVJTVZCII-CJNGLKHVSA-N 263.450 4.660 30 10 CJEE C#C[C@@H](C)[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327869508 TVXTWGBMDKYEPL-IAQYHMDHSA-N 284.230 4.612 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CCC[C@@H]2C[C@H]12 2328974415 VNYXSPUBRWJIPN-PMPSAXMXSA-N 283.525 4.623 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2330063576 ZAGZSBVSWOPCAT-XFMPKHEZSA-N 267.363 4.778 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@H]2CCC)CC1 2332705825 RUPCUAZUZFTEJC-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)Sc1cccc(C)c1CNCC(C)C 2335244098 DBPAOMWDZFHSFM-HNNXBMFYSA-N 277.477 4.797 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cscc1C(F)(F)F 2337170827 XWXIOUSABHPRAS-GWCFXTLKSA-N 289.366 4.601 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN 2338725685 TWTMHNPGMNINCL-IKGGRYGDSA-N 263.469 4.792 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(F)cc1C1CC1 2339207690 RMQCIVLVKAGTDF-SJKOYZFVSA-N 261.384 4.566 30 10 CJEE O=C(C#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2340798160 JWEVAJPDWSOXSM-UHFFFAOYSA-N 299.172 4.899 30 10 CJEE CCCCCCCCC=C1[C@H]2CSC[C@H]1CC(N)C2 2341124237 GXBCMABBFFXRRH-YGFGXBMJSA-N 281.509 4.764 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC2CCC1CC2)NCC 2344338960 FGSCYVQGPPYWHC-BACDZXNISA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(C)cc(C)cc1C 2344339486 JOLQWTFZNXOTMF-KRWDZBQOSA-N 259.437 4.865 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C)(C)CC(F)(F)F)NC 2344354531 ABMBLARKJRVLCS-GXTWGEPZSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc2c(c1)CCCC2 2344356693 NWBJOQBXHDLAOQ-QZTJIDSGSA-N 257.421 4.558 30 10 CJEE CC1(C)CC[C@@]2(CCN2C[C@](C)(CS)C(C)(C)C)C1 2352068542 MYLVADNBYOIASY-IAGOWNOFSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1O[C@H]2CC[C@H]1C2 2352542083 FEIPUWDVDOYBFE-YQQAZPJKSA-N 266.425 4.654 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(F)cc1SC 2353838588 WTWFEHWGUREHSB-IUODEOHRSA-N 279.424 4.555 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H]1C[C@H]1C(C)(C)C 2359888510 PGCBPEMUYWCZPF-KURKYZTESA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)NCCC)cn1 2360379626 WXHCORPOKJZRNM-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE CC[C@@H](C)c1ccc(NCc2cccc(C#N)c2)cc1 35041065 RBTBYOFCGNZWGU-CQSZACIVSA-N 264.372 4.684 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1cccs1 36973704 WUFZVFZDSAMGDE-VIFPVBQESA-N 296.317 4.812 30 10 CJEE C[C@@H](C[C@@H](C#N)Nc1ccccc1Cl)c1ccccc1 43535269 HUMXQZQQVKDTFX-ZFWWWQNUSA-N 284.790 4.838 30 10 CJEE O=C(C1=CCCCCC1)c1cc(Br)ccc1F 50325426 SUKCQIBULFCDCN-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1cccc(Cl)c1 54185539 AVCZLXCSGHMNIM-FZMZJTMJSA-N 265.809 4.905 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(F)c(Cl)c1 71277515 CWBWKYIFAFBSQC-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(C)c1C 83193476 RBGQYKAJENWCNX-PKNBQFBNSA-N 280.367 4.517 30 10 CJEE CCCCCCCC(=O)Cc1cccc(Br)c1 103936311 FMBIKFQNLQRSDH-UHFFFAOYSA-N 297.236 4.921 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(F)ccc1F 104197607 POQNVVTYRUNTHR-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CCC#CCCc1cc(C(F)(F)F)ccc1OCCC 107475779 CNFYLYHDFGBEPR-UHFFFAOYSA-N 284.321 4.840 30 10 CJEE CCC#CC[C@@H](C)c1cc(C)c(OCCC)cc1C 107653835 VSVAOHLGVGSWKG-CQSZACIVSA-N 258.405 4.999 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(OCC)cc1CC 107660190 MYYULTSCRRCFAP-CABCVRRESA-N 258.405 4.801 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)c(F)c1 109726003 WLSWCSDOBADYLO-INIZCTEOSA-N 251.389 4.755 30 10 CJEE CCc1ccc([C@@H](CC)Nc2ccc(F)c(C#N)c2)cc1 109947602 JPCFPHJSRITDJA-GOSISDBHSA-N 282.362 4.823 30 10 CJEE CCCCCCCOC[C@@H](NC)c1ccc(CCC)cc1 110081490 OOCANKFTRDDLBU-LJQANCHMSA-N 291.479 4.887 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCOc2ccccc21 115844919 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281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)Cc1ccccc1 219675739 SCVKMUCPJCLVQE-LJQANCHMSA-N 290.495 4.586 30 10 CJEE C/C(=N\Nc1ccccc1)c1cc2ccccc2s1 220751980 RENKKGOXOJXALT-SFQUDFHCSA-N 266.369 4.737 30 10 CJEE CCCC[C@@H](CCC)Nc1cccc(Cl)c1C#N 226033309 JKQCIZFMNALWCX-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CC(C)c1ccccc1Oc1nccc(C#N)c1Cl 232746849 AQCSQBMYCNTADQ-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@H](OC)C1 232929145 GUWHBJHQQLUOQE-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H]1C(=O)Nc2c(Cl)cccc21 232946215 CFJNIOLCNSIQTN-GFCCVEGCSA-N 265.784 4.736 30 10 CJEE CCCCCCCC[C@H](N)C(C(F)(F)F)C(F)(F)F 232950358 FRKOQJJGDMCTPK-VIFPVBQESA-N 293.295 4.805 30 10 CJEE CCCCCCCCC[C@@H](O)c1sc(C)nc1C 232952502 AJNCUTSZMHZESK-CQSZACIVSA-N 269.454 4.934 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC(C)C)C(C)C 232963060 VOVHOFUTVTYPHS-SFHVURJKSA-N 284.532 4.821 30 10 CJEE CSc1ccc(OCCCCC(C)(C)C#N)cc1 235116505 VCPJNLIJEJPBIE-UHFFFAOYSA-N 263.406 4.507 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCCC 252828418 JCCIBQICSYJXBE-FGTMMUONSA-N 277.496 4.868 30 10 CJEE N#CC1(c2ccc3nc(C4CC4)sc3c2)CCCC1 260255226 ARHJFQXSZNGMBD-UHFFFAOYSA-N 268.385 4.509 30 10 CJEE CCCC[C@@H](CC)COCCCB1OC(C)(C)C(C)(C)O1 309878911 YECHIMQEOSHPBZ-OAHLLOKOSA-N 298.276 4.702 30 10 CJEE C=C(Br)COc1ccccc1-c1ccccc1 310135930 LZIGRAQFZUCNOA-UHFFFAOYSA-N 289.172 4.641 30 10 CJEE CCCCCCCC[C@@H](CC1(CC)CCC1)NN 310804459 HMILKCJSIUYFPP-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE O=CC1(Cc2ccc(F)c(Cl)c2)CCCCCC1 316778102 PPUZTISDQBZZMH-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)c(F)c2)C1 317250497 DGUYLUMJZQOWSN-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE CC#CCCC1(CNC(C)C)CCC(CCC)CC1 318115806 UMMQZJYZHHOJNE-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CCc2ccccc21 318329527 XNRMOORFQDTTQQ-LJQANCHMSA-N 271.448 4.615 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@H](CCCC#N)c1ccccc1 340437982 XLTALTSICYXMIH-XYJFISCASA-N 270.420 4.612 30 10 CJEE N#CC1([C@H]2CCOC3(CCCC3)C2)CCCCCCC1 381833084 FKLMFZSONJKEHH-INIZCTEOSA-N 275.436 4.980 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CN)[C@H]1C 385693023 PCNLZSMQPFRPBL-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=CCCCCN[C@@H](C)c1cc2c(s1)CCCC2 386033083 YNMNGZVAIPKPCZ-ZDUSSCGKSA-N 263.450 4.634 30 10 CJEE CCN(CCCCCC#N)c1cccc2ccccc12 395397966 ZGIZXEPURAUVDP-UHFFFAOYSA-N 266.388 4.750 30 10 CJEE C=CCCC[C@H](C)NCC1CCC(C(C)C)CC1 398117960 PWUNXNOBPOAHLT-GTPINHCMSA-N 251.458 4.783 30 10 CJEE N#Cc1ccncc1Nc1cc(Cl)c(Cl)c(Cl)c1 404248778 HRQDERGBKZBBOI-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE N#Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1 514261000 UKAHMHLWSFLLES-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCCC[C@@H](C)N1CCC(OC2CCCCC2)CC1 552827521 UBRKHAJJIKUWGD-MRXNPFEDSA-N 279.468 4.545 30 10 CJEE CC(C)CCOC(=O)Nc1scc(C(C)(C)C)c1C#N 586483096 BHRSBCPWUDGGEH-UHFFFAOYSA-N 294.420 4.512 30 10 CJEE C=CCOc1ccc(CNC(C)(C)c2cccc(C)c2)cc1 605596269 YGBKTMUIVRVXKB-UHFFFAOYSA-N 295.426 4.585 30 10 CJEE C#CCCCCCOc1c(C)cc(Cl)cc1C 686678524 PVWFMPQGEQUFCQ-UHFFFAOYSA-N 250.769 4.529 30 10 CJEE C#CCCCCCC(=O)c1cc(C)c(Br)s1 686698253 ZGODOVGSQIIYFA-UHFFFAOYSA-N 299.233 4.585 30 10 CJEE CCC(F)(F)C(C)(C)CC(=O)C1=CC[C@H](C)CC1 691024563 ZZPGQNQYVSWFNZ-NSHDSACASA-N 258.352 4.764 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1C#N 691050987 BMTUSMLZGPTQIL-WFASDCNBSA-N 276.811 4.982 30 10 CJEE CSc1cccc(N(C)[C@@H]2CCCCC[C@H]2C)c1C#N 691053912 BIZNPHRKYLPZBP-UKRRQHHQSA-N 288.460 4.685 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)C1(C#N)CCCCCCC1 691100360 HOZATZYGOIBATG-SJLPKXTDSA-N 277.452 4.962 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C 692191663 SXUHHLRVTOMAJQ-PBHICJAKSA-N 277.839 4.873 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncnc2c(C)csc12 692249962 BGVVBELMOWABOX-CHWSQXEVSA-N 287.432 4.547 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](OC)C1CCC1 692703425 OBBABMSNNIDNQG-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCC(C=O)(CC)CN(C)C1CC(C)(C)CC(C)(C)C1 693103801 AAMWJXHCLKHDBA-UHFFFAOYSA-N 281.484 4.528 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cccc(C(C)(C)C)c1 695871688 LOSHVLRJXHFCST-CYBMUJFWSA-N 259.393 4.691 30 10 CJEE CCCCCCCCC1(C2CCCCC2)CNC1 696819188 ZIYUCNMLBFFEGD-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)(C)C 702266860 OQMAJKHYHITBBN-YGRLFVJLSA-N 284.230 4.692 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2csc(C(F)(F)F)c2)cc1 703312763 VLLBOCNHKJQGAB-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnn(CC)c1C 703738355 TXJOCHUAFKMMGX-QGZVFWFLSA-N 280.456 4.776 30 10 CJEE C=CCCC(C)(C)CNCc1nc(C(C)(C)C)cs1 703970720 XRDVRYBPSFFFPY-UHFFFAOYSA-N 280.481 4.523 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1C1CC1 704042060 XAWADUMQFCEZJG-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@@H](CCC)C1 704904935 SINZSYZDNHVIRT-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCN(C1CCC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 706781366 JMSJKQBQPYQLEM-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@]12CCCC[C@@H]1C2 709129178 MKYYMKBGSIBJRE-DZVNLGKHSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@@H](NCC)C1 712830455 SUOUQJIPLJLFTO-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(Br)c1C 715717376 BTPHEDLZIMOYBX-XHDPSFHLSA-N 296.252 4.620 30 10 CJEE C=CC[C@@H](C)Oc1ccc2ccccc2c1Br 715762195 YUTFIDJGNWGBOY-LLVKDONJSA-N 291.188 4.946 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CC[C@H]2C[C@H]12 717172194 MFOADRUIIIMLPL-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@@H](O)CCCOCc1ccccc1 719422210 ARIWEBJXOIWMHV-GOSISDBHSA-N 278.436 4.705 30 10 CJEE CCCCCCC[C@H](C)NCc1nc2c(s1)CCCC2 719527479 JGBDXEYQDQHTAE-AWEZNQCLSA-N 294.508 4.861 30 10 CJEE C[C@@H](COCc1ccccc1)CC1(C=O)CCCCCC1 719581346 LBBDDKUZWQLLDT-QGZVFWFLSA-N 288.431 4.769 30 10 CJEE CC[C@@H](C#N)n1ccc2cc(OCc3ccccc3)ccc21 720903621 DCRMIRBWRINVQD-KRWDZBQOSA-N 290.366 4.695 30 10 CJEE N#CC1(Cc2ccc(Br)c(F)c2)CCCCC1 721911273 MUWMJDAVGZBBTI-UHFFFAOYSA-N 296.183 4.605 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(C)c2C)CC1 724574719 GGQUOZVVIAECJE-SFHVURJKSA-N 257.421 4.700 30 10 CJEE N#Cc1c(S)sc2ccc(SC(F)(F)F)cc12 725292221 OKFOLUJWHXYARE-UHFFFAOYSA-N 291.344 4.674 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(SC(F)F)c1 1125829646 GZJVUUYWPOTJNG-JTQLQIEISA-N 285.359 4.542 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C#N)ccc1C 1129529879 WVLGMYZKXKYSRO-UHFFFAOYSA-N 298.430 4.513 30 10 CJEE C=CCCCN(CC)C(=O)c1ccccc1C(C)(C)CC 1134802296 QLOQLXWKIURQEG-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE C=CCN(Cc1cc2ccccc2nc1Cl)C(C)(C)C 1137980049 UVOVYHBJSLOFSV-UHFFFAOYSA-N 288.822 4.675 30 10 CJEE C=C(C)CCNC(C)(c1ccccc1)c1ccccc1 1168712094 INFDHNUWPJCCBK-UHFFFAOYSA-N 265.400 4.506 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@H]1CCCC1(C)C 1191373288 AHOSRHQFECHEQI-KRWDZBQOSA-N 257.421 4.643 30 10 CJEE C=CCCCNCc1ccc(-c2ccc(Cl)cc2)o1 1202259654 RZNBDUMMMHESRS-UHFFFAOYSA-N 275.779 4.656 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)[C@@H]1CC2CCC1CC2 1206263178 JGDJBHKHVFARMB-BWWNQNFZSA-N 297.486 4.978 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(C(F)(F)F)c(Cl)c1 1258720145 SKRSMLBIKMFYBF-SNVBAGLBSA-N 291.744 4.803 30 10 CJEE C#CCN(Cc1ccc(C(F)F)c(F)c1)C1CCCCC1 1308589771 JROJIXNAVFDEQL-UHFFFAOYSA-N 295.348 4.531 30 10 CJEE C=C1CCN(C(=O)CC2CCC(C(C)(C)CC)CC2)CC1 1443353531 GNJGYAYCMNVCHO-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(C)c2Br)C1 1462133915 OEEQNKCDEOMSPZ-CHWSQXEVSA-N 294.236 4.914 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 1462170618 OVTGBWPYSTZKKG-XSLAGTTESA-N 296.458 4.832 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(C2CCCC2)cc1 1463241248 RSMQQDAPFMNGOA-UHFFFAOYSA-N 285.431 4.773 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 1467474509 CCDRTRHQYKJLLX-ILXVDBEPSA-N 298.430 4.666 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C\CCC)c1ccccc1 1471588687 IDFCEUMLYJXRSZ-KAKTVLCNSA-N 271.404 4.557 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1525070624 WUCOGRXBZVLYHC-ZHALLVOQSA-N 299.458 4.664 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](C)CC(C)(C)C)c1ccccc1 1527742065 POKUKFZBIZGLFG-RDJZCZTQSA-N 287.447 4.677 30 10 CJEE C=CC[C@H](C)N(CC)Cc1ccc(Cl)c(Cl)c1 1559492721 AYEZQQWFFZXCQI-NSHDSACASA-N 272.219 4.780 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCCC12CCCC2 1564428578 BCNZQLRPUFOWET-CVEARBPZSA-N 292.467 4.533 30 10 CJEE C=C(CC(C)C)C(=O)N(C)c1ccc(CCCC)cc1 1587693843 NCUJVVOPNGNGRI-UHFFFAOYSA-N 273.420 4.594 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CCc2ccccc2CC1 1621004030 GOMYZWXGTHRQDH-UYAOXDASSA-N 283.459 4.659 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCc2cnn(C(C)C)c21 1621226824 DULVNGWGZORPBZ-IAGOWNOFSA-N 289.467 4.566 30 10 CJEE C=CCC[C@H](CCC)NCCC[C@H]1CC1(Cl)Cl 1621417547 JYXVUINVNWUSCX-STQMWFEESA-N 278.267 4.685 30 10 CJEE C#CCCCCCCNc1ccc(C2CC2)cc1F 1621492677 WDQQWHWELNKLDV-UHFFFAOYSA-N 259.368 4.699 30 10 CJEE C=CCN(CC[C@H]1CCCC1(F)F)Cc1ccccc1F 1641568777 FHTXPYQFSJYJSK-OAHLLOKOSA-N 297.364 4.639 30 10 CJEE C=CCn1c(SCCC2CCCC2)nc2ccccc21 1643388687 FLDOCRMTDNHIGW-UHFFFAOYSA-N 286.444 4.895 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCC2(CCC2)O1 1653181300 PGUFPZUQIAKVPG-SJORKVTESA-N 281.484 4.817 30 10 CJEE C=CCCCCCN(C)C[C@H](C)c1ccc(C)cc1 1658490300 SOUFXJPXCCENEJ-KRWDZBQOSA-N 259.437 4.777 30 10 CJEE N#CCc1c(Cl)cncc1-c1ccc(Cl)cc1Cl 1848377867 ZNIQSGMXDTYKCX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCC[C@H](NC)[C@](O)(CC)CCCCC 1879215786 NWZGGDHQLREDQD-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CC1(C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCSCC1 1879884204 XZPJQNQSAQILKE-AWEZNQCLSA-N 280.477 4.861 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1C[C@H](C)O[C@@H]1C 1883818002 ILWTZBPUKVPJRF-GVDBMIGSSA-N 269.473 4.625 30 10 CJEE CC#CCCCC[C@H](NCC)C1(CC2CCC2)CC1 1885226709 DRQLGUPIBWIGCN-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CCCN(CCc1ccc(Cl)cc1)Cc1ccccc1 1892525641 KRQLSOCWCYOQMG-UHFFFAOYSA-N 299.845 4.961 30 10 CJEE C=C[C@H](NC(c1cccs1)c1cccs1)C1CCC1 1892931826 BAPRZQQHSUAZEE-ZDUSSCGKSA-N 289.469 4.843 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(C)cc(OC)c1 1893857479 DYCYGOSYLLNQAE-KRWDZBQOSA-N 263.425 4.538 30 10 CJEE Cc1c(Cl)cccc1C[C@](C)(C#N)c1ccccc1 1913194201 LXYRLDBHTLAJEJ-QGZVFWFLSA-N 269.775 4.672 30 10 CJEE N#Cc1ccc(N[C@H]2CCC3(CCCCC3)C2)cc1F 1915857795 MSJGKPVKQJUJKG-HNNXBMFYSA-N 272.367 4.612 30 10 CJEE CCCCCCCCC[C@H]1NCCCn2cccc21 1917189798 XYYTWTMHGDYUCN-MRXNPFEDSA-N 262.441 4.663 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](O)(CC)c1cccs1 1922482542 AOIQGPIQNKBCJM-WBVHZDCISA-N 297.508 4.684 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@H](C)C1CCCCC1 1924105214 IKPNYSVHKGRPMC-AEFFLSMTSA-N 281.484 4.554 30 10 CJEE CCC(CC)CCN=C1N[C@H](C2CCCCC2)CCS1 1926115511 PSSPSRZYLJOIAW-INIZCTEOSA-N 296.524 4.844 30 10 CJEE N#C[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CCCC1 1932014519 ZKLXYNUSAGYPRC-MJGOQNOKSA-N 282.431 4.514 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cscc1OCc1ccccc1 1934834679 YSTJKEUPKRRRKJ-DYVFJYSZSA-N 288.412 4.573 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1cccc(Br)c1 1944475419 LNFWUJALEIOYBG-HNNXBMFYSA-N 292.220 4.712 30 10 CJEE C=C(C(C)(C)C)[C@](O)(CC)c1cccc(Br)c1 1947438596 RSZLGWGHNZVOLQ-OAHLLOKOSA-N 297.236 4.649 30 10 CJEE C[C@H](CCCS)Cc1ccc(C(C)(C)C)cc1 1951412533 BPTOAZLXXKTWAI-CYBMUJFWSA-N 250.451 4.873 30 10 CJEE CCCCCCCCCCC[C@H]1[C@H](CO)C1(F)F 1951927349 JLOHLFXNEAWGDT-KBPBESRZSA-N 262.384 4.781 30 10 CJEE CCC[C@@H](C)[C@H](C#N)c1ccc(Br)cc1F 1994935327 CUPJUMUPHINEJX-SKDRFNHKSA-N 284.172 4.632 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc(Cl)s1 1995178243 SQYBQLKVSRUKIE-LLVKDONJSA-N 257.830 4.928 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccsc1C(F)(F)F 1995996076 PIOUNYNCJQNBBB-VIFPVBQESA-N 283.746 4.560 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(SC)s1 1996462912 GFTBKCMERCOJEK-SMDDNHRTSA-N 269.479 4.723 30 10 CJEE CCCC[C@](C)(C#N)Cc1cccc(F)c1Cl 2000514546 NGWOLKZGEYYKJI-AWEZNQCLSA-N 253.748 4.742 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)s1 2001036323 NRXQEORXYCXJIF-GWCFXTLKSA-N 271.857 4.963 30 10 CJEE CCCCCCCCCCCCSC1CNC1 2008928739 PFVMDTBJLPVCLL-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE C=C1CC(C[C@@](C)(O)c2ccc(Cl)c(Cl)c2)C1 2011056993 JFGWINSRGKTTJD-CQSZACIVSA-N 271.187 4.557 30 10 CJEE C=CC1CC(N[C@@H](C)c2cccc(Cl)c2Cl)C1 2011162597 LDJGKRJPFZFTCK-WHXUTIOJSA-N 270.203 4.609 30 10 CJEE C=C[C@H](C)CN[C@@H](CC)c1ccc(Cl)cc1Cl 2014921518 NBZJYHHSBPJFDI-HZMBPMFUSA-N 272.219 4.856 30 10 CJEE C=CCCCCCN(C)[C@H](C)c1ccc(C)s1 2019310915 DVOUIIKQGPLSEO-CQSZACIVSA-N 251.439 4.796 30 10 CJEE CCCCCCCOCc1nccc(Cl)c1C 2025508104 DZXOAUXOFQZTTN-UHFFFAOYSA-N 255.789 4.530 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C 2035425553 LCQSZTLIGGZPCL-XNISGKROSA-N 251.458 4.639 30 10 CJEE C=C(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 2035481999 SLJHQKUBRFVEIC-WDEREUQCSA-N 262.315 4.527 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC12CCCC2 2036133221 CXUPDOKHJGNWFB-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C=CCC[C@H](C)[C@H](CC(C)(C)C(F)(F)F)NCC 2040529514 LAMLHOPSKNIORW-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE CCC[C@H](CS)CN(C)[C@H]1CCC[C@@H](CC)CC1 2041528768 AEFWGMFNKGYWBW-PMPSAXMXSA-N 271.514 4.623 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCCC(C)(C)C2)CC1 2045369733 DLMWRRMPPMFBQU-ISXOHVOVSA-N 250.426 4.988 30 10 CJEE C=CC1(C[C@@H](NC)c2cccc(Cl)c2C)CCC1 2049038023 PCUWFHNENSWBCU-OAHLLOKOSA-N 263.812 4.655 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)C1CCC(CCC)CC1 2049422517 XFGNKCLIUCETBR-JUVOFCAFSA-N 251.458 4.926 30 10 CJEE C=CCCCCN[C@H](C)C1CCC(CCC)CC1 2049424879 MBXJECOJFZTASO-KLAILNCOSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@@H](Cc1cccc(Cl)c1)NCC 2059111465 KROYEFXHNIDIGR-INIZCTEOSA-N 265.828 4.607 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)CC1=O 2066175909 HFVCWZXPNCBSRL-AWEZNQCLSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@@H]1F)NC 2068080701 XIGIZUNAXLAGAW-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C=CC1(CN[C@@H](C)c2cccc(Cl)c2)CCCC1 2069159505 IVOFZLCOWPVWRK-ZDUSSCGKSA-N 263.812 4.737 30 10 CJEE CCCCCCCCCC[C@H]1CC(F)(F)C[C@@H]1O 2069435216 ABHQPJDIXFUUHD-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C#Cc1cc(CC(C)C)nn1[C@H](C)c1cccc(C2CC2)c1 2070155605 PCWODUUXOYLVRC-OAHLLOKOSA-N 292.426 4.550 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 2073672321 QHWUIALJHCQFMK-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCCCCCC[C@](C)(O)CC[C@@H]1C[C@@H]1C1CC1 2075614399 CMVWSPIZKIZVGB-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE C#CC[C@H](C)C[C@H](CCCCCCCC)NCC 2076088021 LVPHBAKEZYNFRY-IRXDYDNUSA-N 251.458 4.765 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(Cl)cc1Cl 2076098662 KLFGWKUWWNSGTI-ABAIWWIYSA-N 284.230 4.694 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H]1C1CCC1 2079423779 IZSSGQGGBMWRPE-IRXDYDNUSA-N 251.458 4.905 30 10 CJEE C[C@H](CCS)CCO[C@@H]1CCC[C@H]2CCCC[C@H]21 2081134892 BBFNCSRYRFDYPI-ZJIFWQFVSA-N 270.482 4.708 30 10 CJEE SCCCCCCO[C@@H]1CCC[C@H]2CCCC[C@@H]21 2081137946 SJVZUQKXFRZUAE-OWCLPIDISA-N 270.482 4.852 30 10 CJEE CC#C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2085084799 AWFGFWUFBLAMHU-GFCCVEGCSA-N 275.442 4.541 30 10 CJEE CCCC#CC[C@H](N)c1ccc(-c2cccs2)s1 2085086607 UZIYXWCGLVFHMB-LBPRGKRZSA-N 275.442 4.670 30 10 CJEE C=CCCCCCCCCCNC[C@H]1C[C@@H]1CC 2086279055 PBOREHPDJYDXGL-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccsn1 2086281199 RAOSHRSZWKINJY-HNNXBMFYSA-N 267.438 4.873 30 10 CJEE C=CCCCCCCCCCNCc1ccns1 2086282759 MRVRAPSPENZBAU-UHFFFAOYSA-N 266.454 4.540 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H]2CC[C@@H](C2)C1 2088080658 WQBJUNPFAXFMPD-CVEARBPZSA-N 283.525 4.625 30 10 CJEE 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C#CCCCCC[C@@H](NC)c1cc(C)c(OC)c(Cl)c1 2360215165 RGRNTVZPMFLCFS-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)[C@]12CCCC[C@H]1C2 2360337211 BBAQVOPOKXWMDL-SZMVWBNQSA-N 293.520 4.799 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(F)c1CNC(C)(C)C 2360379846 YVRCJGQNTAYVIM-LLVKDONJSA-N 299.430 4.910 30 10 CJEE C[C@H]1CCCC[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 36805606 XTWCROADVZUNCX-IINYFYTJSA-N 283.293 4.535 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2F)cc(C)c1Cl 36886933 UJKBLSJDDJVXJO-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2ccnc2C(C)C)C1 37147564 UKQHVVVQIPXHDE-ARFHVFGLSA-N 287.451 4.924 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1cc2ccccc2s1 48855673 XAIYZNUROIWRBN-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE N#C[C@H](CCOc1ccccc1F)c1ccccc1Cl 57685373 FLUADXJWWGALDX-LBPRGKRZSA-N 289.737 4.555 30 10 CJEE CCCCCCCc1nn(-c2ccccc2)c(N)c1CC 59417674 HZXBFJBUKMKRKY-UHFFFAOYSA-N 285.435 4.530 30 10 CJEE C[C@H](N[C@H](C)CC#N)c1ccc(Oc2ccccc2)c(F)c1 68611250 KZDJFGQLLUEIRD-KGLIPLIRSA-N 298.361 4.571 30 10 CJEE CCc1sc(-c2ccc(SC)cc2)cc1CC#N 77097783 FVGSIAWYWAUXOB-UHFFFAOYSA-N 273.426 4.765 30 10 CJEE Cc1[nH]c2ccc(-c3ccccc3)cc2c1CCC#N 82621413 WRXCLPUTACNNIJ-UHFFFAOYSA-N 260.340 4.600 30 10 CJEE CCCCCCCCOC1(CN)CCC(CC)CC1 103971135 UAMDDCWJSFYGIA-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCCOCCN[C@@H](C)CCC(C)C 104012997 WTUVPKXELBVAMA-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCC(=O)NCCCCc1ccccc1 105522707 GYLPTUANLWZAGH-UHFFFAOYSA-N 289.463 4.876 30 10 CJEE CCCCCCC[C@@H](CN)N(CCCCC)C(C)C 110021557 QFIDDVXVFNKFMF-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE CCCCCCCO[C@@]1(CNCCC)CCC[C@@H](C)C1 110067912 XFNCPQUQALFBDE-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE FC(F)c1ccc(C(F)(F)F)cc1C(F)(F)F 112731803 ZYUBRZCCUAXPTK-UHFFFAOYSA-N 264.115 4.662 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1CCCOC1 116141330 XMDIWDFJBPZZCK-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1 125730435 QXPGIIHTCKLYCU-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H]1CCCOC1 126689638 REJLXJRXYULJJO-ZWKOTPCHSA-N 298.515 4.556 30 10 CJEE CCCCCCC[C@@H](NC)c1occc1Br 128317631 BEKBEIVNXPQZNV-GFCCVEGCSA-N 288.229 4.663 30 10 CJEE CCCCc1ccc(OC[C@H](CS)C(C)C)cc1 130409694 OPYYHIUHPUOHFJ-OAHLLOKOSA-N 266.450 4.610 30 10 CJEE CCCCCC[C@@H](C)Oc1c(F)cc(C#N)cc1F 134003192 DTYFAHFANBFFSI-LLVKDONJSA-N 267.319 4.574 30 10 CJEE CCC[C@H]1CCCN(c2cccc(SC)c2C#N)CC1 136671096 VVNCQBMNOYCOOK-AWEZNQCLSA-N 288.460 4.687 30 10 CJEE CCCCCCCCNC1=N[C@H](c2ccccc2)CS1 159404382 BXOAOVYIANRZNX-INIZCTEOSA-N 290.476 4.781 30 10 CJEE N#C[C@@H](C(=O)c1sccc1Cl)c1cccc(Cl)c1 162983982 HCXFXOKECLSCOC-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE C[C@@H]1CC[C@](C#N)(NC2CCCCCC2)c2ccccc21 163873278 UQJHMIWMHWRPQE-DNVCBOLYSA-N 282.431 4.615 30 10 CJEE CCCCCCCCCCCC(=O)c1ccnn1C 165619992 AMRQVUNDGKXZON-UHFFFAOYSA-N 264.413 4.524 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(Cl)ccc1C 167769247 ZHQJLHCQOQFGST-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C 169085186 NSJVWNOCDPYTSQ-SNVBAGLBSA-N 284.325 4.671 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CC 191439095 JWSIUQANNHFDNT-AWEZNQCLSA-N 288.435 4.801 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1C#N 223510441 WZIYDPHDNFYXOS-VMGRFDJRSA-N 275.367 4.537 30 10 CJEE Cc1ccc(S[C@@H]2C[C@@H](C)CC[C@H]2C#N)c(C)c1 227050549 WJZDHOPFODOWKJ-DUVNUKRYSA-N 259.418 4.724 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(F)cc(Cl)c2)C1 228855066 VDXPTOMEKHUGBX-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cscn1 229131287 YXPKUELATJYHAR-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE C=CCCCCCNc1cc(F)ccc1Br 232246001 IGBNTLUNPYRTTF-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE CCCCCCCCCCNC(=O)c1cc(S)cs1 232939385 BCUBVLXNPXVKEE-UHFFFAOYSA-N 299.505 4.907 30 10 CJEE C=CCCCCC[C@@H](N)C1(c2ccccc2)CCCC1 236314416 FKPKFZSYLRFUNB-GOSISDBHSA-N 271.448 4.962 30 10 CJEE CC(C)C(C(C)C)[C@@H](C#N)Nc1ccc(Cl)cc1 302513454 CNZZKCZXKZQFEK-CQSZACIVSA-N 264.800 4.572 30 10 CJEE N#CC1(Cc2ccc(Cl)nc2)CCCCCCC1 310783804 RXZSDDYEBKUOJA-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE CC(C)CC[C@](C)(O)C1(C#N)CCC(C(C)C)CC1 311623928 TXOBJGXLVWIRSJ-CGZBRXJRSA-N 265.441 4.530 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1nc(Cl)c(C#N)s1 311779044 INQGWCJBDKILLV-SECBINFHSA-N 292.791 4.974 30 10 CJEE CCCCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 311937961 FRFLOPDAZQPMSZ-UHFFFAOYSA-N 278.783 4.511 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC(F)(F)C(F)F)CC1 316801859 IYWVVJHOYUQNFN-UHFFFAOYSA-N 282.321 4.699 30 10 CJEE CC#CCC1(CNC(C)(C)C)CCC(CCC)CC1 317852676 OXMBLLFHMOJBRI-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CC[C@](C)(C#N)c1ccc(OCc2ccccc2)cc1C 381880922 AHLYCIKYGOONHT-LJQANCHMSA-N 279.383 4.765 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccccc1OCC 383557436 JANVUUQCULAPRR-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE C=CC(C)(C)CN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 384814630 AQVWYEZAMKMLAK-RYQLBKOJSA-N 271.448 4.761 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1ccc(C(C)C)cc1 387125543 GSOCNSLRXCICQU-QGZVFWFLSA-N 259.437 4.543 30 10 CJEE CCCCCCC[C@@H]1CCC[C@@H](CNCC(C)C)O1 388416748 LTRAVXDGVBUGCW-SJORKVTESA-N 269.473 4.530 30 10 CJEE CC(C)(C)C#CC[C@@H](N)C1CCC(C(C)(C)C)CC1 388625863 GULZKDBKZIOZRM-UYSNPLJNSA-N 263.469 4.606 30 10 CJEE CCCCCCC[C@H]1CC[C@@](C)(CNC(C)(C)C)O1 389087378 FUZJGVYHBWLUQP-RDJZCZTQSA-N 269.473 4.673 30 10 CJEE CC[C@@H](CC(F)(F)F)CC1(C=O)CCC(C)CC1 402429763 GQODQKSQVDOANF-OTTFEQOBSA-N 264.331 4.751 30 10 CJEE C[C@@](C#N)(C[C@@H]1CCCCC1(F)F)c1ccccc1 405546063 LTSHXVKIBFKEAE-GJZGRUSLSA-N 263.331 4.683 30 10 CJEE C=CC1CCN(C(=O)C/C=C\c2ccc(C(C)C)cc2)CC1 487527139 CFBMCPBWVLWENU-WAYWQWQTSA-N 297.442 4.638 30 10 CJEE FC(F)c1cccc(C(F)(F)F)c1C(F)(F)F 575341558 LIIKGDWFKVAIRL-UHFFFAOYSA-N 264.115 4.662 30 10 CJEE C#CCCCCC[C@H](N)c1c(Cl)cccc1Cl 686697150 JLHRYUOIBGITKF-ZDUSSCGKSA-N 270.203 4.577 30 10 CJEE CSc1cccc([C@@H](C#N)Nc2ccccc2Cl)c1 686949792 ZEHFPXGDHIPZTB-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE C=C(CC)C[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 688324042 YHEDMGRYAGPLHK-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)cs1 688340487 CECIULZLZVBIBQ-AWEZNQCLSA-N 291.460 4.836 30 10 CJEE CCCCCCCCCC(=O)CCCOC(C)C 689441680 UDXLTPDQMIKFRU-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE C=CCCCCCNc1cc(Cl)cc(F)c1F 691034532 UTIARSCLDLAAKP-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C#N 692228709 ZVVHSOKUXMAIMZ-DOMZBBRYSA-N 274.795 4.758 30 10 CJEE CCC(C)(C)CCOc1cc(Br)ccc1C#N 696734996 MGBCPNVGRIPNKW-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CCCCCCCCCNC[C@H]1CCCSCC1 700619981 IRFCLKVGLMTWJE-INIZCTEOSA-N 271.514 4.860 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](N)C(F)(F)F 705635882 DXJUFJMZTSZKBY-KBPBESRZSA-N 297.405 4.548 30 10 CJEE Cc1cc(C#N)cnc1Sc1ccc(Cl)cc1Cl 709800188 VIXURDNGVRMPTA-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCCN1CCC[C@H](C)[C@@H]1CCCN 710573072 MOEBWQCRBNLJSG-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@H](NCC)C1 712830458 SUOUQJIPLJLFTO-ROUUACIJSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)sc1Cl 715788303 PSANVPJOVSLPGS-KWQFWETISA-N 278.248 4.918 30 10 CJEE CC(C)C(C)(C)CS[C@@H]1CCCCC[C@H]1C#N 718828893 ZOFHBOKUEYERRZ-UONOGXRCSA-N 253.455 4.874 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(C(C)C)cc2)CC1 724547035 IKWKCOLZLKHZLP-GOSISDBHSA-N 258.405 4.980 30 10 CJEE CSc1c(C(F)F)cc2ccsc2c1CC#N 725295764 HFIPAHRDNRCSDA-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE N#CCc1c(SC(F)(F)F)cc2ccsc2c1F 725304973 HAZGZEWXAIQOMK-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 1127384235 PLVSDEAMVLNJRP-LRMJVLKBSA-N 297.442 4.636 30 10 CJEE C=C(C)c1cccc(Nc2ncnc3scc(C)c23)c1 1164310486 MYWGEOHTJSJBEM-UHFFFAOYSA-N 281.384 4.776 30 10 CJEE C=C(C)CN(CC)[C@@H]1C[C@H](C)Sc2sccc21 1180438377 YUBUQOOEDDBEIL-WCQYABFASA-N 267.463 4.572 30 10 CJEE C=CCCCCCN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 1195427261 QZYZHAMMSYFWHX-SJORKVTESA-N 263.469 4.881 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc2c1CCO2 1205629441 VYIARAGAHGLSIK-AWEZNQCLSA-N 259.393 4.558 30 10 CJEE N#Cc1ccc(Nc2ccc3cccnc3c2)c(Cl)c1 1210055593 PDQMJNYDIUJOQD-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C#CCCCCCCNc1cccc(Oc2ccccn2)c1 1308679006 AINKOFGCAQMYEY-UHFFFAOYSA-N 294.398 4.870 30 10 CJEE C=CCC[C@H](CC)NCc1cc(Br)ccc1C 1308864204 LZTCUVALBMHABZ-HNNXBMFYSA-N 296.252 4.592 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(OC2CCCC2)c1 1353985292 RKNIJWQQTJQYRK-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)CCCCC1 1459694899 XCBYNEMDFUSZQM-ULQDDVLXSA-N 291.479 4.702 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCC[C@H](C)C1 1460408247 INOJFLOMEIGCAW-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCC[C@@H](CC)C1 1461571409 QQJYFCILTHPNET-YZGWKJHDSA-N 285.475 4.980 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H]2c2cccc(C)c2C)CC1 1465331125 YURLXBUPBAUFCT-IBGZPJMESA-N 297.442 4.713 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 1470531815 GNUPSBGETFVAKM-YESZJQIVSA-N 294.483 4.589 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC(c2ccc(CC)cc2)CC1 1470851606 RQFDIRGWQLTFJA-INIZCTEOSA-N 299.458 4.557 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1CC 1525311872 HBLORJPPNXOGRM-OALUTQOASA-N 299.458 4.808 30 10 CJEE C=CCCCCCCCCNC(=O)/C=C1/CC[C@H](C)C1 1527378536 VLVIDFAOSLZWOQ-SCDSTIRESA-N 277.452 4.766 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](CC)C(C)C)c1ccccc1 1532002567 ZZEDWSKCIYQORN-GOEBONIOSA-N 260.377 4.529 30 10 CJEE C=CCC1(NC(=O)c2ccc(-c3ccccc3)o2)CCCC1 1532276592 LGXIZQNXQYMBMX-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCC=C(C)C)CCCCC1 1533496656 BESCETDAUTZDCX-MRXNPFEDSA-N 277.452 4.764 30 10 CJEE C=CCC[C@@H](C(=O)N1CC2(CCCCC2)C1)c1ccccc1 1556800406 URDJHGAFZKQPNV-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C(/C)CCC)c1ccccc1 1583036129 BYWHJQOJADCQMQ-NHRMXYMRSA-N 271.404 4.557 30 10 CJEE C=C[C@@H](OC(=O)CCCC1CCCC1)c1ccccc1 1587283775 VHTATPVYSMAMCH-QGZVFWFLSA-N 272.388 4.817 30 10 CJEE C=CCC(C)(C)CN[C@@H](CCC)CCc1ccccc1 1621355024 KWJBWBULMZKGHJ-SFHVURJKSA-N 273.464 4.980 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1C 1627849398 ISYXSOWJOSOLFM-SFHVURJKSA-N 287.447 4.801 30 10 CJEE C=CCCCCSc1ccc(C#N)cc1Cl 1651873942 ZJGICSALWIZLGB-UHFFFAOYSA-N 251.782 4.660 30 10 CJEE C=CCC[C@H](C)NCc1ccc(-c2ccco2)cc1F 1652363091 BLDBQKUCFIDAIY-ZDUSSCGKSA-N 273.351 4.530 30 10 CJEE C=CCCCCCN1CCC[C@H]1c1cccc(F)c1 1653185541 VXUDZKFCQUISNC-KRWDZBQOSA-N 261.384 4.709 30 10 CJEE C=CC[C@H]1N(Cc2ccc3cc[nH]c3c2)CCCC1(C)C 1654318620 ZPPVLAORCMCOFE-GOSISDBHSA-N 282.431 4.735 30 10 CJEE C=CCCCN(CC)[C@H](C)c1cccc(Br)c1 1655811015 FOLPILXSHGIRJR-CYBMUJFWSA-N 296.252 4.798 30 10 CJEE C#CCCOc1ccc(CN[C@@H](C)C2CCCCCC2)cc1 1657144160 WWLMGYXGDCJNPO-KRWDZBQOSA-N 299.458 4.537 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(C)c(C)c2)CCCC1(C)C 1659622193 LGSKKCRNXJSVJC-IBGZPJMESA-N 285.475 4.913 30 10 CJEE C=CCC[C@H](CC)N[C@@H](c1ccccc1F)C(C)C 1660227640 NMJYAUQORZRGPS-WMLDXEAASA-N 263.400 4.857 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](CC)C[C@@H](C)CC)cc21 1665789618 HVKQOHSMCVZYED-HOCLYGCPSA-N 285.435 4.849 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CC 1667410947 KBYKSOCCSHHYTR-RDJZCZTQSA-N 286.419 4.505 30 10 CJEE 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CC1(C[C@@]2(C#N)CCCCC23CC3)CC(F)(F)C1 2263680698 IGVXXNVIHKXFOZ-CQSZACIVSA-N 253.336 4.676 30 10 CJEE C=CC1(CNCC[C@@H]2CCC[C@@H](C)C2)CCCCC1 2265097447 OLNXUAKOVRSJTK-SJORKVTESA-N 263.469 4.929 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)cc1OC 2267944042 YOBKBFNNAZZMNL-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CC(C)(C)C#CC=CCOc1cccc2sccc12 2268728466 BAWPXYBRFXKSJM-UHFFFAOYSA-N 270.397 4.886 30 10 CJEE C[C@H]1CC(C)(C)C[C@](N)(CC=CC#CC(C)(C)C)C1 2268766675 OOYVJAYFJLQICU-YJBOKZPZSA-N 261.453 4.526 30 10 CJEE C=CCCSc1ccc([C@H](C)NC)c(C(F)(F)F)c1 2271494023 GWTIXGOHDUHWSR-JTQLQIEISA-N 289.366 4.654 30 10 CJEE C=CCCCCCCCSc1cc(C(C)=O)ccn1 2271495231 YYJHUYPJPNICMM-UHFFFAOYSA-N 277.433 4.903 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1 2271784313 DGAPFZURHDYYJQ-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)C(CC)(CC)OCC 2271791444 LZZLYNIJMYLTLL-INIZCTEOSA-N 269.473 4.696 30 10 CJEE C=C[C@H](C)CCNCc1ccc(C(F)(F)F)c(Cl)c1 2273235334 UAPQWCYJXDUJJX-JTQLQIEISA-N 291.744 4.661 30 10 CJEE C=C([C@H](NCCC)[C@@]12CCCC[C@H]1CC2)C(C)(C)C 2273338648 YXFICEVFIGXLDF-XYJFISCASA-N 263.469 4.927 30 10 CJEE CCC1CCC([C@](C)(N)C#CC2CCCCC2)CC1 2273995974 SGBCUBRCPQZLOJ-VMWRSERWSA-N 261.453 4.504 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H](C)CC(C)(C)C 2274061045 NLUUJVMJMCYEQS-WBVHZDCISA-N 263.469 4.621 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H](CC)C(C)C 2274129361 NXRQENWPRRDGIZ-QZTJIDSGSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@](CCC)(OCCN)C1CCC1 2277226542 GQEDMBJLKOUUHA-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCOc1c(F)cccc1C(N)=S 2280483750 RIZPHNUWSIGFBO-UHFFFAOYSA-N 297.439 4.589 30 10 CJEE CC1=CCC[C@H](C)[C@@H]1CNc1cc(C)c(C#N)c(C)c1 2280555105 GAKXRGPEVPVPMV-SCLBCKFNSA-N 268.404 4.579 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@H]2CC(F)(F)C23CCC3)C1 2280798581 KMHBLGYLFDIDIV-CQSZACIVSA-N 283.406 4.536 30 10 CJEE CC#CCCCC[C@@H](C[C@@H]1CCCC12CC2)NCCC 2281340901 WHXVUJHVHUKPQK-ROUUACIJSA-N 275.480 4.909 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCCC12CCCCC2 2284075092 HEHRCZXDUYAWAV-LJQANCHMSA-N 274.448 4.848 30 10 CJEE CCN[C@@H]1CC[C@H](C)CC[C@H]1CC=CC#CC(C)(C)C 2284087266 BKXZSMXZBZQVEF-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCCC[C@H]1C 2284101962 ZJLCNPBATGFNGZ-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1(C2CCC2)CC1 2284179289 PMKYXSQHMTUXSC-QGZVFWFLSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1COC2(CCC2)C1 2284753165 LPAJHTCRCXDGGQ-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H]1C=CCCC1)C(=O)O 2285657529 AYKJKQNKLSMFBG-WBVHZDCISA-N 282.424 4.706 30 10 CJEE C=CCCCSc1c(F)cc(CNC(C)(C)C)cc1F 2287197728 FCNYIPDGYHPUDY-UHFFFAOYSA-N 299.430 4.911 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(-c2cccnc2)o1 2287396943 AQCSDVXSXYGWAH-OAHLLOKOSA-N 271.360 4.512 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C1CC(C)(CC)C1 2289685780 UPGUHPAGXDKPOE-JLAWEPINSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC[C@@H]1CC1(C)C 2289694694 XRSXUBJYTISXHL-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@H]1CC1(C)C 2290631088 DCHGORCAABCKDU-CABCVRRESA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](C)[C@@H](CCCCCCC)OCCC(=O)O 2291662303 DMXMADSEPVFNOR-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)C1(CCC)CCC1 2292716370 MSWDIFVKMRFJHV-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC1(OCCN)CCC2(CC2)CC1 2292799711 PQVQEOKEYNFEEO-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC[C@@H](C)C1)OCCN 2293672623 IQRUFQJFGLPECF-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cccc(Cl)c1F 2294418978 GUNIPZOQOSDALE-OAHLLOKOSA-N 299.817 4.632 30 10 CJEE CC1(C)CCC[C@@]1(C#N)c1ccc2cc(Cl)ccc2n1 2294977106 QHZVUUIHRCEZLV-QGZVFWFLSA-N 284.790 4.860 30 10 CJEE C#Cc1ccc2c(ccn2Cc2ccc(Cl)cc2C)c1 2295204652 IJGQMJIJGPADIG-UHFFFAOYSA-N 279.770 4.633 30 10 CJEE CCCCCCCCC[C@H](C)NCC12COCC(C1)C2 2295681958 LKLSCRGYWMOJKA-AOCRQIFASA-N 281.484 4.532 30 10 CJEE C=C1CC(C#N)(Cc2ccc(Cl)c(Cl)c2C)C1 2301013259 OYRWWJSZDBHUPM-UHFFFAOYSA-N 266.171 4.704 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCN[C@@H]2C[C@@H]21 2309987925 XBZMJSQAGOCMTA-ARFHVFGLSA-N 255.421 4.607 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)C(C(C)C)C(C)C 2315458264 KVSACBILWWUUGQ-BZUAXINKSA-N 251.458 4.638 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2319248251 CKIFEPUACBTYRV-ABAIWWIYSA-N 284.230 4.919 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H](C)[C@@H](C)C(C)C 2321100506 CAXGPORMVPWXIH-NXOAAHMSSA-N 253.474 4.885 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2333327763 GZBCWPOAHYHTMI-APIJFGDWSA-N 272.379 4.555 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@H]2CCC[C@H]2C(F)F)C1 2334480087 CNVFDCNDKCAHPI-AYDFFVQHSA-N 272.379 4.843 30 10 CJEE C=CC[C@@H](C)Sc1ccc2c(c1)CC[C@H]2NCCC 2335246188 UISNVXFDCMJDSP-CXAGYDPISA-N 275.461 4.730 30 10 CJEE CCCCCCCCC[C@H](O)c1snnc1C1CC1 2335702193 OYPCEGIKZRONGD-ZDUSSCGKSA-N 282.453 4.590 30 10 CJEE CCCCCCCCC[C@@H](N)C#CC1(SC)CCC1 2336226009 OOGVJUUSEZKXMO-MRXNPFEDSA-N 281.509 4.744 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)CC[C@@H](C)OC 2336947306 RZYSJHNEFHHSQX-BEFAXECRSA-N 291.501 4.599 30 10 CJEE CCCCCCCCC(=O)[C@](C)(O)CCCC(C)C 2337724859 WJFYMZWIWBGPQM-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2338739530 WQORHZUCYRNEJL-SPUZQDLCSA-N 261.453 4.689 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2CCC(C)(C)C2)C1 2341665029 KLCFHMJKLLBTRD-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2341888665 LJNDUOPLMNIPEX-AAEUAGOBSA-N 289.728 4.586 30 10 CJEE C=C1C[C@@H]1[C@H](CC1CC(CC(C)(C)C)C1)NCCC 2341891503 CXIUCGAGEHBWDO-GQGLESIBSA-N 263.469 4.783 30 10 CJEE C=C([C@@H](NCCC)c1ccc(COC)s1)C(C)(C)C 2342073861 HQDPESFDTNJBQB-OAHLLOKOSA-N 281.465 4.538 30 10 CJEE C=C([C@H](C[C@H]1CC[C@@H]1C1CC1)NCCC)[Si](C)(C)C 2342282370 WKSAGIJVJKFQPA-ZACQAIPSSA-N 279.544 4.615 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(C)c(CC)c1 2344350213 ZUKWGKIFJMLXNE-QGZVFWFLSA-N 259.437 4.810 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc2ccoc12 2344386388 WFJWUXHIZDARMV-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE CSc1cc(N[C@H](C)CCC(C)(C)C)ccc1C#N 2353826298 USELABWPJRDIBF-GFCCVEGCSA-N 276.449 4.907 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2357776435 DFWCCAYWEQLQMY-JENIJYKNSA-N 270.416 4.966 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)C1CC2(CC2)C1 2360206367 WSMDSHCUBAEVCK-KRWDZBQOSA-N 293.520 4.799 30 10 CJEE C=CC[C@@H](C)Sc1nc(C(C)(C)C)nc(NCC)c1C 2360333699 NELWRQOWUATHQZ-LLVKDONJSA-N 293.480 4.571 30 10 CJEE C=CC[C@H](C)Sc1c(CNC2CCC2)ccc(F)c1F 2360375861 CRUUOPVFXRRGIE-NSHDSACASA-N 297.414 4.664 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc(F)c(Cl)c1 20078442 SPFKUAWKRXHUPO-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc2c(c1)CCC2 36972810 RLSHAKSDFFVDNO-GFCCVEGCSA-N 296.801 4.873 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 36973590 NECIETVXODCHFA-GWCFXTLKSA-N 282.309 4.568 30 10 CJEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2C#N)cc1C 37334082 MGTDBPVKTVUKFL-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE CCCCCC[C@H](C#N)Nc1ccccc1Cl 37938133 IQLOFFAWWBELMS-GFCCVEGCSA-N 250.773 4.614 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(NC(=O)NC)cc1 59474442 ZEJNRSAAPOLMMX-CQSZACIVSA-N 291.439 4.599 30 10 CJEE CC(C)(C)c1ccccc1Nc1ccc(C#N)cc1 71174436 LVFLRQRRQPZJEM-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE C=CCC[C@@H](NCC)C(CC)(CC)c1ccccc1 71277484 BOIOVCXZFAQJJY-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE CCCCN(CCCC)c1nc2ccccc2cc1C#N 71389764 BKNUXOQRMSQNTE-UHFFFAOYSA-N 281.403 4.513 30 10 CJEE Cc1ccc(C[C@@H](C)Nc2ccc(C#N)cc2Cl)s1 80245296 VQUMKZYBAHXTOC-SNVBAGLBSA-N 290.819 4.625 30 10 CJEE CCCCCCn1cc(C(=O)CC#N)c2c(C)cccc21 84872963 YLJLSWCKOQRMOP-UHFFFAOYSA-N 282.387 4.626 30 10 CJEE CCCN[C@]1(C#N)CCC[C@@H]1CCSC1CCCCC1 93580919 SGACXSXBQMPJIA-WBVHZDCISA-N 294.508 4.504 30 10 CJEE CCCCCN(C[C@@H](CS)c1ccccc1)C(C)C 94580887 NDXXGPOOVCSJLI-KRWDZBQOSA-N 279.493 4.601 30 10 CJEE CC[C@@H](C)c1ccccc1OCCCCCS 94583199 GGUVVHOWRQLSSH-CYBMUJFWSA-N 252.423 4.679 30 10 CJEE Cc1ccc(Sc2ccc(Cl)cc2C#N)cc1 104174742 UFNLBXIVEWAHSG-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE Clc1nc2ccccc2cc1/C=N\CCc1ccccc1 105770997 MKPRWEUXKQLBIE-MOSHPQCFSA-N 294.785 4.550 30 10 CJEE CCCCCCCC[C@](C)(N)c1cccc(F)c1 109705285 PBZARSYZOPYLPN-INIZCTEOSA-N 251.389 4.750 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(C(F)(F)F)c2)c1 110251493 VFQJMXOLLGDGPC-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CN(Cc1ccc(Cl)s1)c1cc(Cl)ccc1C#N 110255202 FJAUVZNNMFJCPP-UHFFFAOYSA-N 297.210 4.563 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CNC(C)(C)C 110326046 IHEUVUZQUMPJBD-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@H](N)C1(c2ccccc2)CCC1 111726719 JRDUXXRDQPLKQI-KRWDZBQOSA-N 259.437 4.796 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@H]1CC(C)C 114067239 IOFJPWSHXPDINK-OALUTQOASA-N 296.543 4.836 30 10 CJEE C#CCCC[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC 122926415 JERMIBAKWZVURY-WFRNDULYSA-N 287.491 4.765 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1cc(C#N)ccc1Cl 125668568 RFHVYQPWUKCPIX-OCCSQVGLSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(F)cn1 125725884 WMXGMQGAEGQURV-INIZCTEOSA-N 267.388 4.785 30 10 CJEE CCCCCCCC[C@H](N)Cc1cc(F)ccc1F 126849977 HWUFMZKRARCHTH-HNNXBMFYSA-N 269.379 4.585 30 10 CJEE O=C(/C=C/c1cnc(C2CCCC2)s1)c1cccs1 129881478 VBUHLYLDNPNMIQ-BQYQJAHWSA-N 289.425 4.758 30 10 CJEE Fc1cc(OC[C@@H](CS)c2ccccc2)ccc1Cl 147858981 ZQKUJGYGITYOOH-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CCCCCCCCC(=O)c1c(F)cccc1OC 155961852 JQZOOYQCSJYNFM-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1cncs1 157505295 DPQDULSTOJKCAV-HNNXBMFYSA-N 283.481 4.967 30 10 CJEE CCCCCCCC[C@@]1(O)CCc2cc(F)ccc21 157846582 MHBVWHMKKZBSCT-QGZVFWFLSA-N 264.384 4.710 30 10 CJEE CCCCCCCCOc1nc(NCCC)ncc1Cl 158013454 XUHPVDKVQBMAAY-UHFFFAOYSA-N 299.846 4.691 30 10 CJEE CCCCCCCCNCc1cc(C)n(CC)c1C 160782487 MEIKJTJHBNLWIL-UHFFFAOYSA-N 264.457 4.575 30 10 CJEE C=CCCC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 165953711 DGMXQGUOSQKCIP-JGAFYBCUSA-N 260.421 4.908 30 10 CJEE C=CCC[C@@H](N[C@@H](C)c1ccc(C#N)s1)c1ccccc1 183347265 MNJVMJIRJWXWKM-WMLDXEAASA-N 296.439 4.978 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)o1 189897086 DYCKFSUETCMWQN-UHFFFAOYSA-N 283.371 4.692 30 10 CJEE Cc1ccc(-c2ncc(C#Cc3ccccc3)s2)cc1 196640133 IZVJXWBIWDRUTJ-UHFFFAOYSA-N 275.376 4.518 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 219577249 KISKUXGAKDEGLM-JLSDUUJJSA-N 284.447 4.717 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc2c(s1)CCC2 229754723 WRYWIMKNNSMPHN-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(C)c(F)c1F 231723038 WJJBVVWJAPMSLH-CYBMUJFWSA-N 256.336 4.667 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2ccncc12 232016409 DKUPCOLMZICXRU-GOSISDBHSA-N 270.420 4.985 30 10 CJEE CCCCCCC[C@@H](O)c1c(C)cc(F)cc1C 232925273 OXPOKIJKROIRHJ-OAHLLOKOSA-N 252.373 4.836 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc3cc(F)ccc3o2)CC1 235380228 FIQSFFCWNNIBST-JTQLQIEISA-N 258.292 4.501 30 10 CJEE C=CCCCCC[C@H](O)c1ncc(Cl)cc1Cl 236513023 FMLYBKFVKWNSGV-LBPRGKRZSA-N 274.191 4.558 30 10 CJEE CC(C)CC(F)(F)c1ccc(C2(C#N)CCC2)cc1 259506521 OOZSRZIZXBKKIX-UHFFFAOYSA-N 263.331 4.770 30 10 CJEE C[C@@H](CC#N)c1csc2cc(C(F)(F)F)ccc12 259900434 BDGFKOYOXCUQJC-QMMMGPOBSA-N 269.291 4.937 30 10 CJEE N#CC[C@@H](c1ccc(F)c(-c2ccccc2)c1)C1CC1 260300170 PWEILQSGAGOQJR-MRXNPFEDSA-N 265.331 4.900 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1cccc(Br)c1 304578791 YCOKRAVITJFHLG-BXUZGUMPSA-N 280.209 4.738 30 10 CJEE C=CCCCCCCN[C@H](c1cccs1)C1CC1 310619191 GLOLMPMYIRDLLD-INIZCTEOSA-N 263.450 4.925 30 10 CJEE N#CC1(Cc2ccnc(Cl)c2)CCCCCCC1 310784992 SJNRWPSNROKNFQ-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCCC1 313396714 OWNIKTNOHWINSX-MRXNPFEDSA-N 276.811 4.982 30 10 CJEE O=C[C@@]1([C@@H]2C=CCCCCC2)CCCc2ccccc21 316401170 AGAOYZVURILXKU-IEBWSBKVSA-N 268.400 4.596 30 10 CJEE CCCC1CCC(C=O)(CCc2scnc2C)CC1 317292376 VPHYKHAVGIWBAT-UHFFFAOYSA-N 279.449 4.560 30 10 CJEE CCCCCCCCCC[C@]1(C=O)C[C@H]2CC[C@H]1O2 317391636 JXFKJLNNUZMZFM-BRWVUGGUSA-N 266.425 4.654 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCCSC)C1 320294584 DBQFXDCJRDGPBZ-MGPQQGTHSA-N 271.495 4.581 30 10 CJEE N#C[C@H]1CCC[C@H]1Sc1ccc(Cl)cc1Cl 322727147 ULONZPIXCTXKKO-LDYMZIIASA-N 272.200 4.778 30 10 CJEE CCCCCCC[C@@H](N)Cc1csc(Cl)c1 378984709 PVTXMEFSPANMGZ-GFCCVEGCSA-N 259.846 4.632 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cscc1Br 380023612 XPXPOCBKGHBMOT-ZJUUUORDSA-N 288.254 4.516 30 10 CJEE C=CCCCCCCn1ccc2c1CC(C)(C)C[C@@H]2N 380176287 AEVDLHMVRMLIEX-INIZCTEOSA-N 274.452 4.597 30 10 CJEE Cc1cccc(N[C@@H]2CCCCC[C@H]2C#N)c1Cl 380616826 METPDSIHRYJINJ-QWHCGFSZSA-N 262.784 4.533 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1ccc(Cl)c(Cl)c1 387198760 QFYONSHGENMMMT-ZDUSSCGKSA-N 286.246 4.726 30 10 CJEE CCCC1CCC(C#N)([C@@H]2CCCC[C@@H]2OC)CC1 389010657 WRRXUYDZEBFKIP-GMRIPVOYSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](NCCC)c1ccc2ccccc2c1F 389427362 OZHDFRYAPSOVOO-INIZCTEOSA-N 257.352 4.596 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(C)cc1F 395967915 KYZYAODAQIHCGC-MRXNPFEDSA-N 252.373 4.836 30 10 CJEE C=CCC[C@@H](N)c1cc(Cl)cc(Cl)c1Cl 396449159 HNOGHWMXLAZVMD-SNVBAGLBSA-N 264.583 4.613 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccccc1SC(F)F 397605506 WTTBMOVKOJWEAP-JTQLQIEISA-N 284.375 4.599 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)cc(C)cc1F 398468495 NZBUMJCBMIBUBQ-OAHLLOKOSA-N 269.379 4.894 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@H]3C=C[C@H]2CC3)C1 402383047 IJJWCRYPVJTYES-DISONHOPSA-N 260.421 4.764 30 10 CJEE C=CCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NCCC 403474287 UWGVDJDLZARENC-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE N#Cc1cc(-c2ccccc2OC(F)(F)F)ccc1Cl 514259440 ITPDKURVYYAEAQ-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCCC2(CC2)C1 686704435 UYGOBNYESZBEFB-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@H](N)c1ccc(F)c(Cl)c1F 689642348 XULJNBLAJQOEHW-LBPRGKRZSA-N 275.770 4.979 30 10 CJEE CCCCCCCNc1ccc(OCC2CC2)cc1 690133320 JSLBESGZJXUTSM-UHFFFAOYSA-N 261.409 4.858 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(Cl)cc(F)c1F 690952709 NSFZYCAULSKVMZ-ZDUSSCGKSA-N 273.754 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(F)cc(Cl)c1 692206788 XBLYWIYMPFIXKL-CJNGLKHVSA-N 281.802 4.704 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CCOC1(C)C 693094155 HUQAKRMPHFQPRW-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C[C@@H](CC(C)(C)C#N)n1ccc2cccc(Cl)c21 695780299 KTVQBJKJHIKOCC-NSHDSACASA-N 260.768 4.796 30 10 CJEE CC[C@@H](CC(F)F)C[C@@]1(C#N)CCCc2ccccc21 701496463 LYPKMSTVKYCJHP-SUMWQHHRSA-N 277.358 4.856 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccnc(OC)c1Cl 701589431 MUFOTUWWRHJLKO-CQSZACIVSA-N 298.858 4.755 30 10 CJEE Cc1ccc(CS[C@@H]2CCC[C@H](C)C2)cc1C#N 701870706 TVZYCFLWRHVLBQ-BLLLJJGKSA-N 259.418 4.679 30 10 CJEE CCC[C@@H](CS)CN1CCC[C@H](C2CCCCC2)C1 708236992 YPEYFVVOMQMKRF-WBVHZDCISA-N 283.525 4.625 30 10 CJEE Fc1ccc(NCCCC(F)(F)F)c(C(F)(F)F)c1 709702290 WKUAWQZYFVUAFF-UHFFFAOYSA-N 289.194 4.599 30 10 CJEE C=C(Cl)C[C@@H](C[C@H](C)CC(C)(C)C)NCCC 710667518 SSCORJRJQFIFPF-GXTWGEPZSA-N 259.865 4.960 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2cc(C)ccc2Cl)C1 710743319 WTZIBFCADRZLMH-COXVUDFISA-N 293.838 4.556 30 10 CJEE C[C@@H](CC(C)(C)C)/N=C1/NC2(CCCCCCC2)CS1 713260129 XWPJDHCPVDWGHG-AWEZNQCLSA-N 296.524 4.987 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 715705194 MNTDIMAZMAKORJ-XGUBFFRZSA-N 291.401 4.936 30 10 CJEE C=CC[C@H](C)[C@H](CSC1CCCCC1)NCCC 715795840 CYWNIJSALBDACK-HOCLYGCPSA-N 269.498 4.633 30 10 CJEE CC(C)C(C)(C)CSC[C@H](CS)C(C)(C)C 718748426 ACEBUJZTESWGJO-LBPRGKRZSA-N 262.528 4.994 30 10 CJEE CSC1CCC(CNc2ccc(C#N)cc2Cl)CC1 720535049 BWFQPMJZDFUJRD-UHFFFAOYSA-N 294.851 4.545 30 10 CJEE C=C1CCC(COc2cc(C)c(C#N)c(C)c2C)CC1 724583973 NYSAJBGZKQDNIH-UHFFFAOYSA-N 269.388 4.609 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(F)cc2)CC1 724589024 NHKAGNICXUBCPN-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE CC(=NNc1ccccc1)[C@H]1C[C@H]1c1ccccc1Cl 920356595 NDAAUUBSDWDWFM-CVEARBPZSA-N 284.790 4.932 30 10 CJEE C=CCC(CC=C)C(=O)N(C)C1CCC(C(C)(C)C)CC1 1124927653 UJNLIVJGMZPMDG-UHFFFAOYSA-N 291.479 4.818 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1128197027 CZYRGNWFPPAHAQ-VQIMIIECSA-N 299.458 4.605 30 10 CJEE C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 1141834503 DAXCVHCWLGVRQQ-QGZVFWFLSA-N 285.431 4.614 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 1156352621 NZAYJUHJNUQDDK-LPHOPBHVSA-N 297.442 4.550 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H](CC)c1ccccc1 1167139020 VGEYGYMROCPRJG-LJQANCHMSA-N 283.390 4.965 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC2(C1)OCCO2 1224508525 YLTNVIHSVCZBIF-QGZVFWFLSA-N 296.451 4.605 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCC(C)(C)O 1258230687 ARNKOZNVJQVUMO-MRXNPFEDSA-N 271.489 4.656 30 10 CJEE C=CCCCCCCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1274904020 DRLLJIXMTFVUTM-HZPDHXFCSA-N 281.484 4.948 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 1288363690 AKFAJAVQXYEKMQ-ROUUACIJSA-N 283.415 4.557 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC(CC)(CC)CC1 1313126398 TVUBIYDECOSNJA-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCn1c(SCCC2CCC2)nc2ccccc21 1458759644 QAPANAQSJKCBAR-UHFFFAOYSA-N 272.417 4.505 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccc(C2CCCC2)cc1 1460380648 WYPGXDFPZVKBKY-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C=CCOc1ccccc1CNCc1ccccc1C(C)C 1461203594 GMDDIOYVICCIGZ-UHFFFAOYSA-N 295.426 4.665 30 10 CJEE C=C(C)c1cccc(Nc2nc(C3CC3)nc3c2CCC3)c1 1472898217 ZUGPUJSYYBGDPI-UHFFFAOYSA-N 291.398 4.619 30 10 CJEE C=CCN(Cc1ccc([C@H](C)C(F)(F)F)cc1)C(C)C 1473126670 WSRZTOUEPBHNMU-ZDUSSCGKSA-N 285.353 4.749 30 10 CJEE C=CCCCCCN1CCC[C@@H](Cc2ccc(C)cc2)C1 1473134114 NLZWQLQPIFXPLP-FQEVSTJZSA-N 285.475 4.996 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)Cc1ccccc1F 1474575819 CXTMRPZQOVGOLV-QFBILLFUSA-N 297.417 4.534 30 10 CJEE C=C1CCC(C(=O)Nc2c(F)cccc2SCC)CC1 1524137756 BSJBWPRHAHVIGN-UHFFFAOYSA-N 293.407 4.623 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H]2CCC(C)=C(C)C2)CCCC1(C)C 1524695846 HVBVWCCILRWHBQ-DLBZAZTESA-N 289.463 4.716 30 10 CJEE C=C[C@@H](CC(=O)NCCCCC(C)(C)C)c1ccccc1 1528918466 CVOPRJCAMDBHDK-INIZCTEOSA-N 287.447 4.679 30 10 CJEE C=CCN(C(=O)/C(C)=C/c1ccc(Cl)cc1)C(C)(C)C 1532426985 CMUQZJGUZNBNGK-OUKQBFOZSA-N 291.822 4.556 30 10 CJEE C#CCCCCCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 1533781056 OUZIGYVOSHITKB-LJQANCHMSA-N 299.458 4.958 30 10 CJEE C=CC1(CC(=O)Oc2cccc(OCC)c2)CCCCC1 1534311414 NBACONRIYIUBLZ-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=CCC1(CNC(=O)[C@H](CC)CCCCC)CCCC1 1540084759 IQIJEDMOKIIOHW-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCCCCCCNC(=O)[C@H](CC)c1ccc(F)cc1 1544262977 JKQNPZQGBRFSHX-QGZVFWFLSA-N 291.410 4.572 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc(Cl)cc1 1559892002 YWWDLJOHONHYSK-AWEZNQCLSA-N 263.812 4.574 30 10 CJEE C=CCCC[C@@H](NCCSC(C)C)c1ccccc1 1560108919 PCZLQAXYDCOALB-QGZVFWFLSA-N 277.477 4.815 30 10 CJEE C=CCC1(CN[C@H]2CCCc3ccccc3C2)CCCC1 1560471582 SFFXOONQPSIZAA-IBGZPJMESA-N 283.459 4.660 30 10 CJEE C=CCC1(CNCc2ccc(SC)cc2)CCCC1 1560471636 VEQNOUUAHWYLJJ-UHFFFAOYSA-N 275.461 4.635 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1585828241 UHMWMQZCZSODGB-MAUKXSAKSA-N 299.458 4.809 30 10 CJEE O=C1C(O)=C/C(=N/c2ccc3ccccc3c2)c2ccccc21 1615817787 STKIIMDJGPNNRV-UZYVYHOESA-N 299.329 4.599 30 10 CJEE C=C(CC)CN1CCC[C@@H]1c1ccc(C(C)C)cc1 1616935585 FPPYYCBRYLFQRQ-GOSISDBHSA-N 257.421 4.913 30 10 CJEE C=CCCN[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C 1618265891 OSMAKGAKBBCTDH-HNNXBMFYSA-N 299.380 4.828 30 10 CJEE C=C(C)c1cccc(NCc2ncc(C(F)(F)F)s2)c1 1621555887 OSFBUPYADGWVQQ-UHFFFAOYSA-N 298.333 4.807 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3ccncc3s2)c1 1627394686 CACFQOGDZSHKQD-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE C#CCCCCCCN(Cc1ccccc1F)CC(C)C 1652372744 BMAAAFCNHRMNSB-UHFFFAOYSA-N 289.438 4.867 30 10 CJEE C#CCCCCCCSc1nc(C)nc2ccccc12 1656000808 VXVSRYAECXPESM-UHFFFAOYSA-N 284.428 4.614 30 10 CJEE C#Cc1ccc(NCc2ccccc2OC(C)C)c(Cl)c1 1657065203 XKGCBPMZKHBIBK-UHFFFAOYSA-N 299.801 4.721 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 1657906502 QETDLBUWDUCOEE-RPVQJOFSSA-N 273.395 4.538 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCCC(C)C 1658532999 BDCSHQPUSMRVNB-ZACQAIPSSA-N 251.458 4.926 30 10 CJEE C=CCC[C@H](CC)N[C@@H]1CCCc2ccc(C)cc21 1659847150 RNPZHRBRTPRSBC-FUHWJXTLSA-N 257.421 4.707 30 10 CJEE C#C[C@H](N[C@H](C)CCCCC=C)c1ccc(Cl)cc1 1659930232 USGQFZDWSGZHIJ-PBHICJAKSA-N 275.823 4.739 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 1660637669 IUHDKMACLQVNCA-KRXQYRFLSA-N 289.850 4.614 30 10 CJEE C=CC(C)(C)CCCN[C@H](CC)Cc1cccs1 1665595878 WAOHYSYLKXJFQU-CQSZACIVSA-N 265.466 4.651 30 10 CJEE C=CCCCC[C@@H](C)NCCc1cnc2ccccc2c1 1665619382 WFOFRHSZJIOLPI-MRXNPFEDSA-N 282.431 4.502 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C)cc1Cl 1666924164 QVTDMYFQNCXZGD-LBPRGKRZSA-N 280.799 4.515 30 10 CJEE C/C(=N\OCc1ccccc1F)c1ccc(C(C)C)cc1 1857936425 LMNUTENXPBKWKZ-XSFVSMFZSA-N 285.362 4.890 30 10 CJEE CC[C@H]1CC[C@H](CNc2cccc(Cl)c2C#N)CC1 1878040847 IKCUEWFWMQETET-JOCQHMNTSA-N 276.811 4.840 30 10 CJEE C#CCC1(NCC2CCC(CCC)CC2)CCCC1 1878310354 DDCSJHFSFVOPCA-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C#N)CCO[C@@H](C)C2)CC1 1878373638 ZOAPETPUIYJKJR-QAETUUGQSA-N 263.425 4.692 30 10 CJEE CC#CCCCN(C)[C@H]1CCCCC12CCCCC2 1879661161 YOOJXAUZOQZVFG-KRWDZBQOSA-N 261.453 4.615 30 10 CJEE CCCCCCCCN(CC)[C@@H](C)c1cccnc1 1883312846 JDPMNSKCEXPFSZ-INIZCTEOSA-N 262.441 4.825 30 10 CJEE CC#CCCCC[C@@H](NCC)C1(C)CCCCCC1 1885244939 PFOXKLGDQCLYEV-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)C1CCCCCCC1 1887451392 DRTSUHXUQUGLDW-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCN[C@H](C)CCOCc1ccccc1 1906546013 VOBSMZCAIGHZDH-GOSISDBHSA-N 289.463 4.708 30 10 CJEE N#CC1([C@H](O)c2ccc(F)c(Cl)c2F)CCCCCC1 1913083724 UHDWTWPQZSBKBS-CQSZACIVSA-N 299.748 4.516 30 10 CJEE C=CCC(C)(C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 1913712815 FNJRJOIUWXLYFD-NSHDSACASA-N 271.326 4.711 30 10 CJEE CCCCCCCCC[C@]1(C(=O)O)C=CCCC1 1916598052 BPFVKMZDMZAQHJ-INIZCTEOSA-N 252.398 4.938 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1OCC[C@@H]1C 1918092861 ONRFOOZEJGGZFZ-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1ccc(Cl)cc1C 1920347475 MIUPLFOBBMTGQW-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE CC[C@H](C#N)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047821 FCHRHCQSLAJFJN-BMIGLBTASA-N 291.803 4.652 30 10 CJEE C[C@](O)(c1cc(Cl)ccc1Cl)C1(C#N)CCCCC1 1921083436 OOTUDFZOYLNNKA-AWEZNQCLSA-N 298.213 4.675 30 10 CJEE C=C([C@@H](C[C@@H](CC)C(C)(C)C)NCC)[Si](C)(C)C 1923042279 BWBYTTQWZLQBFD-HUUCEWRRSA-N 269.549 4.861 30 10 CJEE CCCCCCC[C@@H](C)NCC1(C(C)(F)F)CC1 1926773214 MJSAOJWHTXQRCC-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)[C@H]1CCCCC[C@H]1C#N 1927741672 AEESPJAYJPQJGP-WDSOQIARSA-N 284.447 4.760 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)C[C@@H](C#N)C(C)(C)C 1931995961 CVOMLDXDMMKSQN-SJLPKXTDSA-N 286.463 4.719 30 10 CJEE C=C([C@H](O)c1scc(Cl)c1Cl)C(C)(C)C 1932503275 YVLDFUHUUXODKV-VIFPVBQESA-N 265.205 4.691 30 10 CJEE C=CCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1953424506 PNALIRXSUWJCDP-INIZCTEOSA-N 259.437 4.889 30 10 CJEE N#C[C@@]1(NCc2ccccc2)CCCC2(CCCCC2)C1 1955274706 KQQZKPILYFDHRS-LJQANCHMSA-N 282.431 4.563 30 10 CJEE C=C([C@H](CCCOCc1ccccc1)NCC)C(C)(C)C 1955508872 GGMWPQIZHMXZAN-SFHVURJKSA-N 289.463 4.564 30 10 CJEE CC=C(CC)C(=O)c1ccc(Br)c(Cl)c1 1958487153 AGWRCSWRHPEOOR-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCC(C)(C)CNc1ccc(C#N)cc1Br 1973163628 HKKKNUWCWFFHTD-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=CCCCCNc1cc(Br)ccc1C 1975332287 FDDHCYJEZYDWGG-UHFFFAOYSA-N 268.198 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CCCCCCCC[C@@H](O)[C@H]1CCCCC1(F)F 2034916175 XTQWUPCSZBZPTP-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=C([C@H](NCC)c1ccccc1SC)C(C)(C)C 2035420383 RJNWYBLGLRNHAS-HNNXBMFYSA-N 263.450 4.661 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc(Cl)sc2C)cc1 2036888321 HRESRXGILYBOFH-CYBMUJFWSA-N 276.792 4.695 30 10 CJEE CCCCCCCC[C@]1(C#N)C[C@H](OC)C1(C)C 2038961458 GMJZFYHLOFSQEA-GOEBONIOSA-N 251.414 4.692 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@@H]1CCCC(C)(C)CC1 2039385276 NYQNJVMFFWTHAM-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](C)c1ccc(F)c(OC(F)(F)F)c1 2040536981 JALRYMGFZLOKDW-SECBINFHSA-N 262.246 4.794 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)C1CCC(C)(C)CC1 2040642111 SKVPEVNTTGXLOH-CABCVRRESA-N 251.458 4.926 30 10 CJEE CC#CC[C@@H](NCC)c1cc(-c2cccs2)cs1 2045725120 QDJFFVZNGWCFQF-CYBMUJFWSA-N 275.442 4.541 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1cnc(Cl)cc1Cl 2045989039 UBGPBQVDOOPVTA-AWEZNQCLSA-N 288.218 4.716 30 10 CJEE CCCCCCC[C@H](NCCC)C1(CF)CCC1 2047705915 RVRQQWIDJAYBEE-HNNXBMFYSA-N 257.437 4.855 30 10 CJEE 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CC[C@@H]1NC(=NCC2(C)CCC3(CC2)CC3)S[C@@H]1CC 2176594466 ZTYUFUXLAIRCFU-UONOGXRCSA-N 294.508 4.597 30 10 CJEE N#C[C@@]1(C[C@@H](F)C2CCCC2)CCc2ccccc2C1 2178217103 DRNFEATVENNULR-MSOLQXFVSA-N 271.379 4.604 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C1=CC[C@@H](CC)CC1 2181550431 JQFZHFIZGLWGNL-NXHRZFHOSA-N 281.484 4.562 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2Cc3ccccc3S2)CC1 2181641232 NJLQGWSNDQHXKG-DYVFJYSZSA-N 286.440 4.655 30 10 CJEE CC[C@@H]1CC=C(C(=O)C(C)(C)c2ccc(F)cc2)CC1 2181661463 FEOPZJVNMLBMQD-CYBMUJFWSA-N 274.379 4.809 30 10 CJEE CC[C@H]1CC=C(C(=O)C2C3CC4CC(C3)CC2C4)CC1 2181671569 VLTICWLNIPTNQR-IPQZGBMFSA-N 272.432 4.764 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@H]2C(F)(F)C23CCCC3)C1 2182160998 UNXBAPVCPOLBIA-HUUCEWRRSA-N 283.406 4.536 30 10 CJEE CCCCCCC[C@@](C)(O[C@@H]1CCCC12CC2)C(=O)O 2183256257 FBDPXKWCTLJOEV-GDBMZVCRSA-N 282.424 4.540 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CC[C@H]1OC)NCCC 2186888351 BIFCOKNCQAYHJM-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=CC1(CN[C@H]2CCCC[C@H]2C(F)(F)F)CCCCC1 2189517226 IIWRQAAJEYARGS-KGLIPLIRSA-N 289.385 4.834 30 10 CJEE CCCC1(CN(C)[C@H](CC#N)c2ccccc2)CCC1 2189671829 IMFHPGWNRXKTOH-QGZVFWFLSA-N 270.420 4.544 30 10 CJEE CC(C)C1(CN(C)c2cc(Cl)c(C#N)cc2F)CCC1 2191956079 KYNMAWPDEOFENS-UHFFFAOYSA-N 294.801 4.613 30 10 CJEE CC1(C)CCC[C@@](C)(NC[C@@H](C#N)C2CCCCC2)C1 2192758732 ZNMPJZIWYQDEAZ-SJLPKXTDSA-N 276.468 4.655 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C(C)(F)F)on1 2192914967 VQOVDZGWDMVIRP-ZDUSSCGKSA-N 289.366 4.960 30 10 CJEE C=C(CN1C[C@@H](C2CCC2)CC[C@H]1C)c1ccccc1 2195508616 QBJFBLLFSFJXID-APWZRJJASA-N 269.432 4.600 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccccc2C(C)C)C1 2196011057 KDXLOUIHQJJCRU-QGZVFWFLSA-N 271.448 4.988 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CCCC12CCC2 2196171291 IATLTTKTNISXLA-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCCCCCCCN(C)CC[C@@H](N)C1(C)CCCC1 2196740037 YMFVVQCPBCRIQC-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1CC2(CCCC2)C1 2197136371 FBZLDHQKEFRXPC-GOSISDBHSA-N 269.432 4.648 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1 2200029491 JHWZKWLGXSULJZ-QRVBRYPASA-N 275.480 4.765 30 10 CJEE C=C([C@@H](NCCC)[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C 2200049009 VHYJOVAFDUUTQM-FGTMMUONSA-N 271.448 4.761 30 10 CJEE N#C[C@@]1(CCCCC(F)(F)F)CCOC12CCCCC2 2201701610 PGFVOZIVFPELMV-CYBMUJFWSA-N 289.341 4.742 30 10 CJEE CCCCCC#CC[C@H](CC1(CSC)CC1)NCCC 2203785902 RXQKBFHEKCUCLR-QGZVFWFLSA-N 295.536 4.862 30 10 CJEE CCCCCC#CCNc1ccc(F)cc1C(F)(F)F 2203788293 WYQGMBPJUZJOKZ-UHFFFAOYSA-N 287.300 4.840 30 10 CJEE CCCCCC#CCC1(CNCC)C[C@@H]2CC[C@H](C1)S2 2203807928 QTSNPEPNTFABES-JWTNVVGKSA-N 293.520 4.614 30 10 CJEE CCCCC#CC[C@](C)(CNC(C)C)c1ccccc1 2203834157 PURAJKXDTKYUNA-LJQANCHMSA-N 271.448 4.526 30 10 CJEE CCCCCCC[C@H](NC)c1nnc(C2CCCC2)s1 2204855763 CJWNXNMLXCDDPK-AWEZNQCLSA-N 295.496 4.817 30 10 CJEE C=CCCCCCC[C@H](N)C1CC2(C1)C(F)(F)C21CC1 2206892120 OOOVDNABHOTZLL-BBBYJDLNSA-N 283.406 4.666 30 10 CJEE C=CCCCCCC[C@@]1(C#N)COc2ccccc2C1 2206899124 KMYLYDPUMPMMPF-GOSISDBHSA-N 269.388 4.658 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1C[C@@]12CC2(F)F 2206900831 WVLTWZJPXJGIEF-HRCADAONSA-N 285.422 4.927 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@@H]2C[C@@H]3COC[C@@H](C3)C2)C1 2206974520 DFXJDSNXNXXZAP-JCECYMMASA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](N)CC(F)(F)F 2207396587 MVOIIXTXSRHDFI-CYBMUJFWSA-N 293.373 4.532 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C(F)(F)C1CC1 2207398234 ZLYYNIIXIXNCRC-OAHLLOKOSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1CCCCO1 2207402226 AKAZPLKAMZWXCM-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@H](C)O[C@H](C)C1 2207427149 KCBGQLOZBPDMSU-BCDXTJNWSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1CCOC[C@H]1C 2207432238 NGDFVTCDQNBVAS-KURKYZTESA-N 282.468 4.717 30 10 CJEE C=CCCCCCCCCCN[C@@]12CCC[C@@H](C1)OC2 2207438491 ROJSWTSISYOJNN-ROUUACIJSA-N 279.468 4.594 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC[C@]12CCC[C@@H]1C2 2207453656 OKGMDACJDWSBFO-RYRKJORJSA-N 280.452 4.637 30 10 CJEE CCCCCCCCc1noc(C(C)(C)C)c1C(=O)O 2207458506 SUGXWSSTOJPMFY-UHFFFAOYSA-N 281.396 4.573 30 10 CJEE CCCCCCCN(C)C[C@@H](C[C@H](C)CC)NCCC 2207657346 FETJOPGDMGMZNO-QZTJIDSGSA-N 284.532 4.693 30 10 CJEE C=CCCCCCCCC(=O)C[C@H]1CCSC1 2214621905 HKVLZPDQENBXDM-CQSZACIVSA-N 254.439 4.615 30 10 CJEE C=CCCCCCCCN[C@]1(C)CCCC1(F)F 2220088606 VZCLKFGWFBQNMA-CQSZACIVSA-N 259.384 4.681 30 10 CJEE C=CC1(C[C@H](NCCC)C(C)(C)CCC)CCC1 2222308155 UMFWDJXHXBFLTG-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2222975052 YNLFZODHSKIDDF-NCOADZHNSA-N 250.426 4.700 30 10 CJEE CCCCCCCCCCOCCCC(=O)CC 2223242912 RPMKFVNFXYTQDX-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE FC(F)(F)[C@@H]1CCC[C@H](OCCCCCCS)C1 2223492385 NIAKWMGSQJPTDH-NEPJUHHUSA-N 284.387 4.614 30 10 CJEE C=C[C@](C)(CCCCC(C)(F)F)CN[C@H](C)CC 2223579799 HEMYMKGGLVHKAG-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE CCCCCCCC[C@@](C)(N)CCCCCOC 2223831304 GYGZKLKHAYFOOB-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C=CCCCCCCCCOCC(=O)CC1(C)CC1 2225691067 WYCZYSYSMHCAEP-UHFFFAOYSA-N 266.425 4.679 30 10 CJEE Cc1csc(CNc2cc(Cl)c(C#N)cc2F)c1C 2225831924 VKJCQNTVGGAPHP-UHFFFAOYSA-N 294.782 4.641 30 10 CJEE C=C[C@](N)(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(C)(C)C 2230710776 CECGSZLVQMQETH-CVYDXHPNSA-N 263.469 4.913 30 10 CJEE CCCCCCCCCOC[C@H](C)CNC1CCC1 2230991290 CNWPOVMHMMATPT-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCOCc1cc(C)cnc1F 2231028870 VBKUQFQNHRTODT-UHFFFAOYSA-N 267.388 4.796 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)[C@H](C)NC 2231078381 DSGYWANNTFJVPE-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2231580705 VUNUAGJWUJPTLA-VVLHAWIVSA-N 263.469 4.783 30 10 CJEE N#C[C@]1(CCCC(F)(F)C(F)(F)F)CCC(F)(F)C1 2231743189 JPUKFQOXMWBMPT-MRVPVSSYSA-N 291.210 4.683 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC(C)(C)CO1 2231931138 UTHHBEBEBOZLGH-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H](CC)O1 2231941654 RTZBNJCDSAPLRD-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)[C@@H]1CCCOC1 2231944963 ARXIFOKCZNHVFJ-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CC[C@@](C#N)(CCCSCCCCC1CC1)NC(C)C 2235461689 HCVSLIPOVVJBLQ-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2235520550 ANTKYGWVLFIDCY-FPCVCCKLSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H](O)c1csc(C)c1C 2235525054 XIUFZXWYUBMUMG-DLBZAZTESA-N 295.492 4.642 30 10 CJEE C=CCCCCCCC[C@H](NN)C1(CC2CC2)CCC1 2235525253 ACYJWGKZUWLCPB-KRWDZBQOSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCO[C@@H]1CCCC[C@@H]1NCCC 2235526032 GWTIENJDWOGWFF-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)C1CCC(C)CC1 2235538936 LTMSNIAUKHICSH-HTWSVDAQSA-N 280.452 4.659 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CCC1CC(F)C1 2236182125 CMJUWAVTLRWKQX-GPANFISMSA-N 286.431 4.585 30 10 CJEE C=CCCCCOCc1cc(CN[C@H](C)CC)sc1C 2238963983 UENKEJRXAGMSEE-CQSZACIVSA-N 295.492 4.818 30 10 CJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1ccc2sccc2c1 2239469616 VQPYYOBXDJCIQR-INIZCTEOSA-N 297.810 4.606 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)(C#Cc2ccc(Cl)cc2)CC1 2239487681 SGLZIZACMMKGJF-AEFFLSMTSA-N 290.834 4.659 30 10 CJEE C=C[C@H](CCCCC)O[C@@](C)(C(=O)O)C1(C)CCCC1 2239497198 DYHGLMWHXMSGOZ-PBHICJAKSA-N 282.424 4.562 30 10 CJEE C=C[C@@H](CCCCC)OC1(C(=O)O)CCCCCCC1 2239501870 HRYBHRDSQAEOPE-HNNXBMFYSA-N 282.424 4.706 30 10 CJEE CCCCCCCCCCCCOc1nc(CN)cs1 2239510865 PXCIHUGRTSLUGB-UHFFFAOYSA-N 298.496 4.902 30 10 CJEE CCCCCCCCOc1csc(CNC2CCC2)n1 2239981144 HSSMDHOJAHNHKO-UHFFFAOYSA-N 296.480 4.525 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@]1(CN)CCC[C@@H](C)C1 2240620584 WFUNGQAKNDQKEC-SQNIBIBYSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](CO)CC1CCCC1 2240644800 NEPKLOQYIWETTD-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE C[C@@H]1CCC[C@H]1[C@H](C#N)c1ccc(Br)c(F)c1 2250027026 NTHYFIBNSDZUBX-YUSALJHKSA-N 296.183 4.632 30 10 CJEE CC[C@](C=O)(CC1(C)CC(C(F)(F)F)C1)C(C)C 2253558129 VBUPCMJFMQVJOM-WXRRBKDZSA-N 264.331 4.606 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@H]2N 2257340467 OGTIKANCUQXODE-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CCSc1ccccc1NC1CCC=CCC1 2257925154 ICTCWAPMNWJKLM-UHFFFAOYSA-N 259.418 4.875 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CC)CC[C@@H]1NCCC 2258976027 NLPJFBKNCHCUMK-OWCLPIDISA-N 269.498 4.633 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1CCCC(C)(C)C1 2259183032 LOKSQIPNVRPKQP-MRXNPFEDSA-N 251.458 4.881 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(Cl)c1F 2259237813 PJQPLVHGQWHUGD-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CCCCCCCC[C@H](CCCCC)OCCN 2262615963 FSEVUQKQLRSVAQ-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CC1(C)C[C@H]1CSc1ccc(C(F)(F)F)c(C#N)c1 2265216851 RWOSQJHPNHCXKU-JTQLQIEISA-N 285.334 4.715 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CC(F)(F)C12CCC2 2266157095 KBXKORZBDUFONL-KGLIPLIRSA-N 273.411 4.890 30 10 CJEE CCCCCCC[C@@H](C)NN(C1CCC1)C1CCC1 2266494528 IKOJWJQFIBOFOQ-OAHLLOKOSA-N 266.473 4.647 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(C)cc2F)C1 2266784755 WUSLDCFOEZKHPW-PBHICJAKSA-N 259.368 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(Cl)cc1F 2268788489 CQLSOBHPJKGYGY-HNNXBMFYSA-N 280.770 4.508 30 10 CJEE N#C[C@@H](CSCC12CCC(CC1)C2)c1ccccc1 2274347081 GIUQDQXUMVCXJT-WIHSUSGWSA-N 271.429 4.607 30 10 CJEE CCCCCC#CC[C@]1(O)CC(C)(C)CCC1(C)C 2274488624 LQOMONVYIOKHQR-SFHVURJKSA-N 264.453 4.928 30 10 CJEE C=CCCCCCCCC[C@@H](OCCCN)C(C)C 2276154914 PXOCLSWQYGTKFY-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C=C(C)CC1 2276637018 WBGLMGHJZKSWCK-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccccn1 2278245749 NQFHKDANSIFULB-INIZCTEOSA-N 262.441 4.700 30 10 CJEE CCCCCCCCC[C@]1(C)OCC[C@@H]1NCCC 2278245840 XHOALCMRSKYTCN-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CC1(C)OCCC[C@]1(C=O)CC[C@H]1CCCCC12CC2 2279657804 UNNGZIYAOQRBBQ-CRAIPNDOSA-N 278.436 4.511 30 10 CJEE Cc1cc(N[C@H](c2cccs2)C2CC2)cc(C)c1C#N 2280562274 PWOTYOWVRXIWHX-KRWDZBQOSA-N 282.412 4.800 30 10 CJEE C=CCCCCC[C@@](O)(CCC)c1ccc(OC)cc1 2283656441 NKFNBQFIVFMEPK-SFHVURJKSA-N 276.420 4.819 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)CC(F)(F)F 2284071800 XHDHVXJVKUGOKM-KBPBESRZSA-N 289.385 4.549 30 10 CJEE CC[C@H]1CCC[C@](CC=CC#CC(C)(C)C)(CNC)C1 2284074956 BZTKRANCROBSFW-HKUYNNGSSA-N 275.480 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C1C[C@H]2CCC[C@H](C1)C2 2284165701 VADBEWRKRRUFEB-BQFCYCMXSA-N 273.464 4.526 30 10 CJEE C=CCCCCCCCSc1cc(N)nc(C2CC2)n1 2287087562 QPYHOVZIUIVWHX-UHFFFAOYSA-N 291.464 4.555 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(CC(C)C)NC 2287097794 ZRBAORWBHVQRKZ-QGZVFWFLSA-N 296.524 4.774 30 10 CJEE CCCCCCCCOCC[C@H]1CCCC[C@@H]1NCC 2288865929 LZGCSYAQDMXZFP-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)ccc1C 2289707735 ZAAJGTCDAROJRT-SFHVURJKSA-N 289.850 4.883 30 10 CJEE O=C(CC#CC1CCCC1)c1cc2cc(F)ccc2s1 2289847046 XORVUOVYSHHMAP-UHFFFAOYSA-N 286.371 4.807 30 10 CJEE CCCCCCCC[C@@H](CCC1CC1)OCCC(=O)O 2290631077 DAEMBIPWUVTUHM-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CC=CCCC[C@H](CCCCCCCC)OCC(=O)O 2291475037 GTZSKDBPLPCDNF-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE C=CCC[C@@](C)(CC1CC(CC(C)(C)C)C1)OCCN 2292810310 UYABIJWPDLMCFS-HTWSVDAQSA-N 281.484 4.539 30 10 CJEE C#CCCCCC[C@](C)(CCC(C)(C)C)OCCCN 2293430496 BNPNIOKHJQNHBV-GOSISDBHSA-N 281.484 4.521 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC12CC2)OCCCN 2293627030 QCPNGSMWGPACRP-SJORKVTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H](C)C(C)(C)C 2293785873 VMUHIZACENPMTO-SJORKVTESA-N 283.500 4.929 30 10 CJEE Cc1ccccc1C(=O)C=Cc1ccccc1Cl 2294300005 JIWIEFAVWOKYOG-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE C=C1CC([C@H](NCC)c2ccc3cc(Cl)ccc3n2)C1 2294967353 NOSUUJJDQJQONI-KRWDZBQOSA-N 286.806 4.505 30 10 CJEE O[C@@H](C#Cc1ccccc1Cl)c1cc2ccccc2s1 2295219667 PDEYLWLVIYFCKZ-HNNXBMFYSA-N 298.794 4.640 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCC(C)(C)C1 2295521364 APVZZORMFIUPSH-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC1[C@@H](C)[C@@H]1C 2295601914 VFYMKNCENGXTHB-MPGHIAIKSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C)[C@@H]1CCCO1 2295668458 IGUBGOQGFQLPRG-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1C[C@H]2CC[C@H]1O2 2295677183 AZRXGOHEIKFYFO-BRSBDYLESA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@@H](NC)CCN1C(C)C 2295679809 SYAJMCNSDGJNBE-ROUUACIJSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1 2298947748 JKSGWIXOAMEALO-QWRGUYRKSA-N 268.809 4.609 30 10 CJEE O=C(C=C1CCCC1)c1c(Cl)cc(F)cc1Cl 2302208935 BOKOCCLVBHYXTM-UHFFFAOYSA-N 273.134 4.816 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC[C@H]1NCC 2313652315 VQLPSBCUNDCRQS-HZPDHXFCSA-N 267.482 4.551 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](SC[C@H]2CC[C@H](C)CC2)C1 2313809578 WWMAQSCAHYMVPC-SUJAAXHWSA-N 265.466 4.874 30 10 CJEE CCCCCCCCC[C@@]1(C#N)COCC1(C)C 2314529918 KJOHGBGSBCGZHH-MRXNPFEDSA-N 251.414 4.693 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)[C@@H]1CCCC(C)(C)C1 2316712142 MFBMFQQMBNHYNZ-NVXWUHKLSA-N 250.426 4.722 30 10 CJEE CC#CCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2318360127 ZFASATNKSLVDBG-UHFFFAOYSA-N 287.161 4.899 30 10 CJEE C=CCC(C)(C)[C@H](CCC1(F)CCC1)NCCC 2321115817 HGVJWVVOWMQJLB-AWEZNQCLSA-N 255.421 4.629 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccsc1C(F)(F)F 2321225101 VRRUZKVJLZJNMI-ZYHUDNBSSA-N 278.339 4.793 30 10 CJEE C=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2333064854 CDCQHKMEOJJEBD-MJUPKGCFSA-N 286.459 4.866 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2333960924 QNRLLGFPNSGPNF-VIQHNZTISA-N 269.448 4.852 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(C(C)(C)C)ccn1 2337095229 YDBVDZHTLIPYBV-HIFRSBDPSA-N 258.409 4.536 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1c(Cl)cccc1Cl 2337531352 LDGWHWWNUDHLTJ-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC(C)(C)C1 2338727072 HPBMSXYDCSLTPY-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C(C1CCC1)C1CCC1 2338731946 FDFRYCAPPNZSHR-GOSISDBHSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(C)C1CCC1 2338732716 LHMSOBOWQJLTFP-KRWDZBQOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC2(CC2)C1 2338734458 ZMRFGVWLZSFPMW-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1C[C@H]2CC[C@H](C1)C2 2338740646 HCPFXTPBOGIROZ-MPGHIAIKSA-N 261.453 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4.761 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ncc(C)cn1 164851039 BJKCMPBVLVRMEO-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)c(Cl)cc1F 167487016 XRIDVTCMVNWFCP-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE CC(C)CC[C@H](C)Nc1cccc(Br)c1C#N 168546440 SFEUFCAXHMMRET-NSHDSACASA-N 295.224 4.557 30 10 CJEE CC(C)(C#N)CCCN[C@H](c1cccs1)C(C)(C)C 174831211 XPNXNAHFDDBQAF-CQSZACIVSA-N 278.465 4.755 30 10 CJEE CC(F)(F)c1cccc(N[C@H](C#N)C2CCCCC2)c1 187041491 RXEXWGLTNYMQSX-OAHLLOKOSA-N 278.346 4.683 30 10 CJEE CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@@H](CC#N)CCC3 211083740 HTTUNTULBKBINB-GFCCVEGCSA-N 266.388 4.799 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(CC)(CC)CC2)C1 222807997 NZWDRUZLOBSQRI-SQNIBIBYSA-N 290.495 4.997 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC 227533752 ZWRNJOQQQGISJP-JYJNAYRXSA-N 251.458 4.641 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2c(s1)CCCC2 229737061 KVSUBXYILQLYJN-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCCCNCc1ncc(C)o1 231651988 YOORFYBNWJRZEA-UHFFFAOYSA-N 280.456 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CCC1CCC(C=O)(C[C@H]2Cc3ccccc32)CC1 317419712 FMKDVGOLILZOEO-BFHRDPOASA-N 256.389 4.502 30 10 CJEE Cc1cc(CC2(C#N)CCCCCCC2)cc(Cl)n1 321398929 XPCUWLNQCXMMDA-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1CCC[C@H](C)C1 386973004 LVEXTPBZUFVUCW-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE C=C([C@@H](CSC1CCCCC1)NCCC)C(F)(F)F 388652334 ZOZYPSPTFLBNDP-CYBMUJFWSA-N 295.414 4.539 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(OCc2ccccc2)cc1 390787988 ZYBSMIOACUQOGU-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE N#C[C@@H](CSc1ccc2c(c1)CCC2)C1CCCCC1 397123330 KBCGQBYYWWRWAX-KRWDZBQOSA-N 285.456 4.987 30 10 CJEE C[C@H](CC(F)(F)F)C[C@]1(C#N)CCc2ccccc2C1 402531252 VCTIGMXIWZBXAN-SWLSCSKDSA-N 281.321 4.664 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@H](C2CC2)N1 407353990 NJCYABLXLFKFLQ-IAGOWNOFSA-N 279.468 4.617 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)CC(C)C 462393260 XBEGXIUHLAHHTP-LBPRGKRZSA-N 299.867 4.598 30 10 CJEE C=C[C@@H](C)NC(=O)N(CCCC)[C@H](CC)c1ccccc1 464752507 BCGNFOYWPMNHGR-NVXWUHKLSA-N 288.435 4.524 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 512661282 QVQYAEMMJNLCFH-NSHDSACASA-N 286.375 4.592 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc3sccc3c2)CC1 691800821 MDLSWFSHHFOBAB-NSHDSACASA-N 256.370 4.830 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCCc1ccccc1 692242630 XGGAIDKLYFNVKS-RBUKOAKNSA-N 271.448 4.734 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](OC)C1CCC1 692703431 OBBABMSNNIDNQG-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CC(C)(COc1ccc(C#N)c(Cl)c1)CC(F)(F)F 694095292 YEPBHFGYYONEDU-UHFFFAOYSA-N 291.700 4.569 30 10 CJEE Cc1cc(N[C@@H](C)CC2CCCCC2)ccc1C#N 694647420 HFGXRZKRWKWGPU-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CCCCCCC[C@H](O)c1csc(C(C)C)n1 695315244 MRIRJRGGPNSZOL-ZDUSSCGKSA-N 255.427 4.660 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cccc(SC(F)F)c1 695786780 LECYAQRDTCTTHZ-SNVBAGLBSA-N 284.375 4.742 30 10 CJEE Cc1cc(NC2CCC(C3CCC3)CC2)ccc1C#N 695827146 XHOVGQLCWTVJCI-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE N#Cc1cc(NC2CCC(C3CCC3)CC2)ccc1Cl 696134342 RWHIRLBSEMEXMS-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE 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C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)cc(OC)c1 2116655503 GIKAVOMUXRPAQD-BLLLJJGKSA-N 281.827 4.602 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H]1CC(C)=C[C@@H](C)C1 2116867549 JKKIJVOCJBUALY-NXHRZFHOSA-N 261.453 4.541 30 10 CJEE N#C[C@]1(CC(F)(F)c2ccccc2)CCCC12CC2 2116985731 AGCOVQBIGRKHJD-OAHLLOKOSA-N 261.315 4.643 30 10 CJEE N#C[C@@]1(CC#CC2CCCCC2)CCCCC12CC2 2116998350 YADKPDSGJCNZFK-SFHVURJKSA-N 255.405 4.824 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NCCC)C[C@@H](C)C1 2118801497 UCYMDYIYHCDCRF-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CC(C)CCC[C@H](C)N=C1N[C@@H](c2ccsc2)CS1 2118999526 QZCQUGYOULRGDP-GXTWGEPZSA-N 296.505 4.696 30 10 CJEE O=CC1(C[C@H]2CC3CCC2CC3)CCC2(CC1)CC2 2120065054 PMJVHSXBPIWZAN-UYSNPLJNSA-N 260.421 4.742 30 10 CJEE CC(C)(CC(F)(F)F)CC1(C=O)CCC2(CC1)CC2 2120066489 WXWJAVZNBZSCBS-UHFFFAOYSA-N 276.342 4.895 30 10 CJEE N#CC1(CCOC2CCCCC2)CCC2(CC1)CC2 2120098147 VEZLZFUEZBCIAL-UHFFFAOYSA-N 261.409 4.590 30 10 CJEE C=CC1(NC[C@H](c2ccccc2)C(C)C)CCCC1 2121645750 DSTVYULSARPYBU-KRWDZBQOSA-N 257.421 4.515 30 10 CJEE C=CCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC1CC1 2123081042 SACNXVPYIQVADO-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCCCCC1(CNC2CC2)C[C@@H]2CC[C@H](C1)S2 2123082189 CGVPHARUCUFJLT-SJPCQFCGSA-N 279.493 4.529 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C2CC(C(F)(F)F)C2)CC1 2125184690 ITBRZDBZTTWHOZ-QFWMXSHPSA-N 274.326 4.527 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccc(C(C)C)cc2)C1 2125728655 JJXVTSHZLVFWHJ-GOSISDBHSA-N 257.421 4.817 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)c1ccc(CC)s1 2130935008 PLGUTHFEOOAJTB-HNNXBMFYSA-N 293.552 4.622 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@@H]2CCCCCC[C@H]21 2138953834 CZHPLZIMLAOFMV-RCCFBDPRSA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@H]1CCCCC[C@@H]1CNCCC 2138992522 BNVWLHQBASWQGR-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE CCCCCC#CCN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1 2139033807 APSMJYNDQHRXGL-RCCFBDPRSA-N 263.469 4.717 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC2C3(CCC3)C23CCC3)C1 2139179173 MHQDLKYWLWGDHX-HOCLYGCPSA-N 260.421 4.742 30 10 CJEE C=CCCCCCCNCc1cc2c(s1)CCCC2 2141912418 YICBVNCXJLSHDH-UHFFFAOYSA-N 277.477 4.853 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]21 2141922604 ILBLUZZDQYXIQJ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(F)ccc(F)c1F 2141924445 UGNYYZKVYXGHIQ-CYBMUJFWSA-N 271.326 4.630 30 10 CJEE C=CCCCCCC[C@](C)(O)Cc1cccc(F)c1 2141999790 QSXGFURPZYNWMM-KRWDZBQOSA-N 264.384 4.646 30 10 CJEE C=CCCCCCCCCCO[C@]1(C)CC[C@@H](N)C1 2142427323 HSOQBZNUWZDXHE-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCC[C@H](COC(C)(C)C)NC 2142434329 ZPENDNSSOSTWNJ-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE CCCCCCCOc1cc(C)ccc1CNC(C)C 2143546399 BAGFVDKUYRDWIN-UHFFFAOYSA-N 277.452 4.842 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2csc(-c3ccccc3)n2)C1 2144694539 KJEJAKRYVLVAAR-SUMWQHHRSA-N 282.412 4.683 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCOCC1)NC 2145490335 JGDWVLMGUMUVIE-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1 2146290420 BODKDYCZKPEXPF-XLAORIBOSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](O)c1cc(C)sc1C 2148589850 KTXNWSUFUJACTG-IAGOWNOFSA-N 297.508 4.737 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@](C)(O)[C@@H](C)CC 2148590855 NPJQHTKGGFVEDY-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@]1(O)CCCC(C)(C)C1 2148609329 SQHUPCVKNNQWJW-SJLPKXTDSA-N 283.500 4.786 30 10 CJEE C=C[C@](C)(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC 2149011388 CTGITJDASRYFOY-YRGRVCCFSA-N 292.341 4.501 30 10 CJEE FC(F)(F)c1ccc(NCC#CC2CCCCC2)cc1 2149859382 WWLRDLNAMOOYMQ-UHFFFAOYSA-N 281.321 4.701 30 10 CJEE C[C@@H]1CCC[C@@H](N=C2N[C@@]3(CCCC3(C)C)CS2)CC1 2150545708 OZAUVTUMOIEFBT-CPUCHLNUSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](C)NCC(C)(C)N1CCCCC1 2151600325 PTLNTHAHYQEUBA-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(CC(F)F)CCC1 2151973769 HGBJEXIZWPYFJC-CQSZACIVSA-N 285.422 4.620 30 10 CJEE C=CC[C@@H](C)[C@](C)(N)c1ccc(-c2ccccc2)cc1 2154664091 ICPCDOPJJWYZPO-BEFAXECRSA-N 265.400 4.740 30 10 CJEE C#CCCCCC[C@@]1(N)CCCC[C@H]1c1ccccc1 2154679321 IBYPIDMUOWGNTD-RBUKOAKNSA-N 269.432 4.625 30 10 CJEE CCCCCCCCCC[C@@H]1CNC2(CCOCC2)C1 2155265695 HBEINDOIRUHVBY-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE C=C1CCC(N[C@H](C)c2oc3ccccc3c2C)CC1 2157443690 VIPUVVIUELRXBL-CQSZACIVSA-N 269.388 4.891 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)CO[C@H](C)C1 2159375584 CVPSOGFJGPHSHL-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCC[C@@H]1CCC[C@H](N=C2N[C@H](C(C)(C)C)CS2)CC1 2159460848 FDESYGMNKYHZFP-ILXRZTDVSA-N 296.524 4.843 30 10 CJEE CC[C@H]1CCC[C@@H](N(C)c2ccc(C#N)c(C)c2)CC1 2159506015 NMLNPLXVJVGQMQ-DOTOQJQBSA-N 270.420 4.662 30 10 CJEE CCCCCCCCCNC[C@@H](C(C)C)N(CC)CC 2160474329 KCYALRVWPTVODL-SFHVURJKSA-N 284.532 4.693 30 10 CJEE CCCCCCC[C@@H](C)NCc1cnc(C(C)(C)C)o1 2160633242 WEJWXUWILKFFHQ-CQSZACIVSA-N 280.456 4.811 30 10 CJEE C=CCC[C@H](C)[C@]1(CNC(C)(C)C)CCOC(C)(C)C1 2161610316 RXSQETLCMHCFDB-MAUKXSAKSA-N 281.484 4.552 30 10 CJEE CC(C)C[C@H]1CC[C@H]1N=C1NC2(CCCCCC2)CS1 2161929502 JDDFJICWSNWKEJ-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE CCCC[C@@H](CC)c1noc(C[C@](C)(CC)CC#N)n1 2164477424 JWTDBASJKMXRRT-CZUORRHYSA-N 277.412 4.626 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC(F)(F)CC1(C)C 2165027355 HCCDBHVYJIOXCX-QLFBSQMISA-N 285.422 4.925 30 10 CJEE N#C[C@]1(C[C@@H]2CC3(CCCCC3)CO2)CCC12CCC2 2166799496 WAFUCKFQGJDZHB-MAUKXSAKSA-N 273.420 4.590 30 10 CJEE CN(CC1[C@H]2CCCCC[C@H]12)CC1(CS)CCCCC1 2167279021 VNIAABVFVGFZOL-HOTGVXAUSA-N 295.536 4.625 30 10 CJEE C#CC(C)(C)C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)o1 2167606030 CBNVCVAOCWSWAY-CQSZACIVSA-N 287.790 4.649 30 10 CJEE C=CC1(C[C@@H](O)c2cc(C(F)(F)F)ccc2F)CCC1 2168015884 AGSKXKLKEBKXSN-CYBMUJFWSA-N 288.284 4.624 30 10 CJEE C=CC1(C[C@@]2(O)CCCC[C@H]2c2ccccc2)CCC1 2168027665 GFIJTLBZQTTXNK-HKUYNNGSSA-N 270.416 4.822 30 10 CJEE C=CC1(C[C@H](NCC)c2cccc(C3CC3)c2)CCC1 2168027691 GJKXKUYZIBQIMH-SFHVURJKSA-N 269.432 4.961 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)[C@H]2CCC[C@H](C)C2)C1 2168630024 OCGRQPUUJHSWMX-RZFLPCETSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@](F)(CN)C1 2168714099 VGWDGVMDFYQWHG-NVXWUHKLSA-N 285.447 4.553 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CCC[C@H](C(F)(F)F)C1)NCC 2173291479 ZNFABUCNFGZBHQ-LJISPDSOSA-N 291.401 4.936 30 10 CJEE CCC#CC[C@H](NCCC)c1cccc2ccccc12 2174098896 VPJMQCZJZOPBHZ-IBGZPJMESA-N 265.400 4.684 30 10 CJEE CCCCCCCCCC(=O)c1cnn(C(F)(F)F)c1 2175167597 BEWXPWNUZVVHCN-UHFFFAOYSA-N 290.329 4.683 30 10 CJEE C=CCCCCC(=O)[C@](C)(O)C1CCC(C(C)C)CC1 2179679311 LEUZLRUSHRGRMT-LEOMRAHMSA-N 280.452 4.515 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2coc3ccccc23)C1 2182157660 IYWBAJRDIYIVQI-QGZVFWFLSA-N 269.388 4.830 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1 2183382615 RUAPWAVXNMGIAT-BCDXTJNWSA-N 275.480 4.785 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1CC2(C1)C(F)(F)C21CC1 2183943437 KLMLOPDJZQXEFC-NPCAHTBFSA-N 283.406 4.536 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1C[C@H](N)C1(C)C 2186253326 WGQUFNQODZDEJB-IKGGRYGDSA-N 283.500 4.642 30 10 CJEE CC(C)c1cccc(C2(C#N)CCC(C(C)C)CC2)n1 2186478304 JLSRZHOCUKTKIS-UHFFFAOYSA-N 270.420 4.813 30 10 CJEE CO[C@@H]1CC[C@H]1CCC1(C=O)CC(C)(C)CC(C)(C)C1 2186884719 BAPQFYVALWJUJG-LSDHHAIUSA-N 280.452 4.613 30 10 CJEE C=CC1(CNCc2ccc([C@H]3C[C@@H]3C)o2)CCCCC1 2189511588 GMGOESNZJDWEKD-HOCLYGCPSA-N 273.420 4.629 30 10 CJEE CCCCCCCN(C)c1cc(C)c(F)cc1C(C)=O 2196704451 NVQIKPACKFTXJI-UHFFFAOYSA-N 279.399 4.743 30 10 CJEE CCCCCCCN(C)CC[C@H](N)C1(C)CCCCC1 2196738243 HSKMFBYJOMGJGT-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(C(C)C)cc1 2196860492 ZUARJLRNVOKDGL-VQIMIIECSA-N 271.448 4.900 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1CC[C@H]2C[C@H]12)NCCC 2197139938 NXTDJKXLXQYORA-VJANTYMQSA-N 269.432 4.504 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H](C)C1CCCCC1 2197141181 ZWHBLSANTZTWRH-APWZRJJASA-N 271.448 4.894 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1CC12CCOCC2 2198230086 TVKVIDXPICAXFN-IRXDYDNUSA-N 282.468 4.695 30 10 CJEE CCCCCCCC[C@H](NCC)c1ncc(C)cc1F 2199286450 LKMJIKWQOMZRRY-INIZCTEOSA-N 280.431 4.930 30 10 CJEE CN(C[C@@H]1C[C@H]1C1CCCCC1)C[C@H](CS)C(C)(C)C 2200216676 DHXXAXOXMRBXHO-BBWFWOEESA-N 297.552 4.727 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2C[C@@H]2C2CCCCCC2)[C@@H](C)O1 2200489323 KDRKMOURNAOFLU-AGTSVGGPSA-N 275.436 4.690 30 10 CJEE CCCCCCCCCNCCC12CCC(CC1)OC2 2201479926 XWOLILAFFYFLES-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCCCCC#CC[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2203758548 YREOXRCQMYXYHX-OTWHNJEPSA-N 276.464 4.928 30 10 CJEE CCCCCC#CC[C@@H](O)c1cccc(C(F)(F)F)c1 2203781752 MUNDPUGBRBFMOL-OAHLLOKOSA-N 284.321 4.713 30 10 CJEE CCCCCC#CC[C@@H](O)c1cc2cc(C)ccc2o1 2203785339 NEZNHOYPNKLXAD-MRXNPFEDSA-N 270.372 4.748 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1C[C@H]1C1CCC1 2203818731 HXGQBWJZBWCUTF-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1C[C@H]1C1CCCCCC1 2203825350 WSLFAYNLAPDJTM-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)c(F)cc1OC 2204483389 HVJNYWNRPDEAKH-HNNXBMFYSA-N 285.378 4.724 30 10 CJEE CCCCC#CC[C@H](N)c1ccc(-c2ccccc2)s1 2206185766 CSDFLINBMCMXOT-INIZCTEOSA-N 283.440 4.999 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NCC 2206883740 CNTXSTOWHPLFFB-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@H](NN)c1cccc(C2CC2)c1 2206891018 IRUXIJKXGGTULO-GOSISDBHSA-N 272.436 4.595 30 10 CJEE C=CCCCCCC[C@](C)(N)c1ccc(F)c(F)c1F 2206901883 FOLGDKWVNKJWCO-INIZCTEOSA-N 285.353 4.804 30 10 CJEE C=CCCCCCCCCCC(=O)C1(O)CC(CC)C1 2207378853 VTZOZVRWYJCHSO-UHFFFAOYSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](O)CC(C)(C)C 2207395017 BGEAEJSGSRMICR-DLBZAZTESA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@]1(O)C[C@]2(C)CCO[C@@H]21 2207402368 JRTDFBNDZPCKBK-BZSNNMDCSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@H](O)C(C)(C)CCCN 2207402770 DXFCPMNLHPVERZ-KRWDZBQOSA-N 283.500 4.809 30 10 CJEE C=CCCCCCCCCCN[C@](C)(COC)C1CC1 2207415671 UGESXCHCEUNTMO-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cnc(F)c(F)c1 2207424371 DQPLPNBKMJZCMT-HNNXBMFYSA-N 283.362 4.700 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@@]2(C)CCO[C@H]21 2207427491 NERRRIXFUSXAFF-KURKYZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cnn(C2CC2)c1 2207431275 DERYPCXNNKRWPJ-KRWDZBQOSA-N 276.424 4.558 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@]1(C)C=CCCC1 2207433032 VHNLIOGDXHYYAC-ZWKOTPCHSA-N 278.484 4.872 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1C[C@H](C)O[C@@H](C)C1 2207438675 UHHWCRSURDTJTF-XYJFISCASA-N 281.484 4.824 30 10 CJEE CCCCCCCC[C@@H](CN)N1CC(C)(C)CC[C@H]1C 2207446820 VICNUKRQPWVMQC-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H]1C[C@@H](O)c2cc(F)ccc2O1 2207448700 MVJRZIFLIFZPOV-GOEBONIOSA-N 280.383 4.761 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cccs1 2214613896 SGFCLENABDNXJY-OAHLLOKOSA-N 252.423 4.872 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)c1cccs1 2214765340 IRKWBVXMZHLJPU-QGZVFWFLSA-N 271.451 4.680 30 10 CJEE C=CCCCCCCC[C@H](O)c1cscc1OC 2220082333 BXLLXWIQBAZCTC-AWEZNQCLSA-N 268.422 4.707 30 10 CJEE CCCCCCCCCCOC[C@H](O)CC(C)C 2223234349 NYLOOZHDLYTHRR-MRXNPFEDSA-N 258.446 4.551 30 10 CJEE C=C[C@@H](C)CC(=O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225374080 MURYBXLJCKRYFF-YIYPIFLZSA-N 270.363 4.619 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@]1(CC)CC1(F)F 2227288870 RFOUELGSGTUETR-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC(=O)[C@@H]1C 2231042887 SXVHZZUPQJTITJ-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)CC12CCC(CC1)CC2 2231519951 COCUAMIUHRTXLC-NALMEZQBSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NCC)C(C)(C)C 2231926538 VUTBQLHUGZHTEX-DOTOQJQBSA-N 271.489 4.512 30 10 CJEE CCCC#C[C@@H](NCCC)[C@H](c1ccccc1)C(C)C 2233783565 WEGZLXQABRFENS-MOPGFXCFSA-N 271.448 4.598 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2233793413 XYHQSEGQFPJOLU-WNRNVDISSA-N 275.480 4.621 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1CCCC[C@H]1C1CCCCC1 2234695373 UZJIYMSTBLIWIY-CEXWTWQISA-N 275.480 4.763 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](C)O1 2235179689 MGIKPALAQTUUHQ-FGTMMUONSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](C)OCC(C)C 2235519068 MOCPNJAAVXTSGA-ZWKOTPCHSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCn1cc2c(c1)C(=O)CCCC2 2235524138 NEFSIXVNZOHDQQ-UHFFFAOYSA-N 273.420 4.924 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CCCC(C)(C)C1 2235524449 QARPRJDYOKSBRH-IRXDYDNUSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cc(C)ccn1 2235534236 XYNJDSJTHQTJGA-KRWDZBQOSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](O)CCCCCC 2235536239 UBTSTPWWZOHZMI-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CC[C@H](C(C)C)C1 2235536833 YNNQWWNEEHCBSL-FUHWJXTLSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](O)(CCC)C1CCC1 2235537270 ASYBJJXCFUVOPK-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2235537847 FIYPOMWKAFHYEA-YICVATSJSA-N 275.480 4.783 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CCCC(F)(F)C1 2235539429 PBJRALRYHLZONN-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE CCCCCCCCCCOc1ncc(CNCC)s1 2239496049 WIEHQFQDCFZCJC-UHFFFAOYSA-N 298.496 4.772 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H]1CNC(C)C 2239511180 SHRDIOAXBVZEQL-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(C2CCC2)cc1 2240372816 IJJOCPWWEIQUTG-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@H]1CCCC[C@H]1C 2240638023 PAQDVGXLVIFISY-RYRKJORJSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cnc(CCC)o1 2240649981 QHMATZALISWREI-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](C)[C@H]1CCCCO1 2240651396 WYZXGDDJRMJQHX-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCCSC[C@H](C#N)C1CC1 2250061121 ISYCUCHQKNIMLU-HNNXBMFYSA-N 251.439 4.796 30 10 CJEE O=C(CC#CC1CCCC1)c1cc(Cl)sc1Cl 2251519298 LARWFKSHDYQZLU-UHFFFAOYSA-N 287.211 4.821 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1cc(F)cc(F)c1 2255259861 QFMQFIUYLQYOLT-QMTHXVAHSA-N 267.344 4.529 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)[C@@H](C#N)CC(C)C 2258565876 MBRIBNYDWPHZDR-SNVBAGLBSA-N 284.186 4.670 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(CC(F)F)CCC1 2259237235 LSEVSPJKAUSDIE-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CN(CCCCCCCS)[C@H]1CC(C)(C)C1(C)C 2263210767 HSUWPSSNRSFHEA-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1C(=O)O 2271837778 XPVFFSRQJHPSRX-BZUAXINKSA-N 266.425 4.896 30 10 CJEE N#CC1(CCCCCCCCCCCCO)CCC1 2273727205 NVPTXXWAEPIEHK-UHFFFAOYSA-N 265.441 4.964 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H](C)CCC 2275006598 DPVXVFXVNOOWIK-CABCVRRESA-N 272.429 4.643 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H](C)CC(C)C 2276158271 HZOFBWAKIXFFKS-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C1(C)CC1 2276784445 JHACRZFKKXIUSD-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H](O)C(C)C 2278227998 DFMIQLVBMMFXQO-SJORKVTESA-N 271.489 4.512 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC[C@H]2CCCC23CC3)C1=O 2281330365 FAUFBOVNXSNIAD-KDOFPFPSSA-N 273.420 4.636 30 10 CJEE Cc1ccc(Cl)c([C@H](O)[C@@]2(C#N)CCCC23CCC3)c1 2283380842 KHCOZSXSBXMWLV-RDJZCZTQSA-N 289.806 4.546 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)CCCC12CCCCC2 2284087610 BAMSBXXHRLTGKN-LJQANCHMSA-N 273.464 4.814 30 10 CJEE CC(C)(C)C#CC=CCC[C@@H]1CCOc2ccccc21 2284097702 AUORPHBTDMMGNX-MRXNPFEDSA-N 268.400 4.939 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cc2c(s1)CCCC2 2284162246 MJPXRECUNNIQPC-OAHLLOKOSA-N 287.472 4.623 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC1CC(CC)C1 2284164929 PVIKEQLRBTTXFH-ABHNRTSZSA-N 275.480 4.787 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C#N)CCOC12CCCC2 2284944606 FWJZNINFXCRJQV-IXDOHACOSA-N 275.436 4.836 30 10 CJEE C=CCCCSc1cccc(OC)c1CNC(C)(C)C 2287196530 UDWPNWIARVWBIL-UHFFFAOYSA-N 293.476 4.642 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)CCOC1(C)C 2287372920 QIXVHYANASVXDU-GOSISDBHSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)C(CC)(CC)CC 2287390544 QPZPTOLKLMAQMO-IAGOWNOFSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCN(C)[C@@H](CC)[C@@H](C)CN(C)C 2288808329 TYKYIXJYLDIQGN-ROUUACIJSA-N 284.532 4.645 30 10 CJEE CCCN[C@@](C)(C#N)CCCCSC1CC2(CCC2)C1 2288957733 XCVFRGQCPYZXAU-MRXNPFEDSA-N 294.508 4.504 30 10 CJEE N[C@]1(CC#CC2CCCC2)CCCC2(CCCCC2)C1 2289904916 OAXBYRWVNCDFMW-LJQANCHMSA-N 273.464 4.792 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1CC=CCC1 2292640305 BCEZBKCJMOFCBC-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE C=C(C)CCCC[C@H](OCCC(=O)O)[C@@H](CC)C(C)C 2292721282 ULMIWCZHIRBOTA-HOTGVXAUSA-N 284.440 4.665 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CC1(F)F)OCCN 2293180422 JAEBCVVBYKHIMB-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H]1[C@@H](C)[C@H]1C 2293457906 DQXIYYYJPZXHJM-MHORFTMASA-N 283.500 4.763 30 10 CJEE CCCCC#CC[C@](C)(CCCCCC)OCCCN 2293732506 XIUSHYPNOHFLEZ-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@@H](CC1(C(C)(F)F)CC1)OCCN 2293967743 NDUIKBCRIXTMOF-AWEZNQCLSA-N 291.426 4.516 30 10 CJEE COc1cccc(C(=O)C=Cc2ccc(C(C)C)cc2)c1 2294299928 CKVJZMWBLYMMST-UHFFFAOYSA-N 280.367 4.715 30 10 CJEE CCCCCCC[C@H](OCCN)C1C[C@@H](C)C[C@H](C)C1 2294493385 DURUPUNLULSXKE-BQFCYCMXSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cnc(CC)o1 2295674577 SKGMKMBQFUEYSK-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ncoc1CC 2295678506 ZEZDOVFDGNNVMI-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCC[C@@H](CC)CSc1ccc([N+](=O)[O-])cc1C#N 2295766592 OSGUTRXRPKXOFV-GFCCVEGCSA-N 292.404 4.775 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1csc(Cl)c1 2301065207 BGCHQHPEAOTLLF-AWEZNQCLSA-N 269.841 4.821 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2CC[C@H]1C2 2308574452 NCFRWASKEFUMCR-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)N)c(Cl)c1 2313688946 KRXABNYPXYYXCQ-LLVKDONJSA-N 281.852 4.973 30 10 CJEE C=CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(CC)cc1 2313705238 RNUGDNNXWPJEIC-OLZOCXBDSA-N 262.418 4.518 30 10 CJEE CC(C)CCC[C@@](C)(O)CC#CC1CCCCC1 2315913922 BAHZIEGRFGMLGT-QGZVFWFLSA-N 250.426 4.538 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H]2CCC[C@@H]2CN1 2319331442 JQEOQTOASPNSPN-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE SC[C@@H](COCC1CCCCCCC1)CC1CC1 2319944611 SWKYGRHLFFSUFM-MRXNPFEDSA-N 270.482 4.710 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1CCCC(F)(F)C1 2321117274 NQWWTGOHEMMYSH-RDBSUJKOSA-N 259.384 4.522 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(CC)s1 2321141804 QQFOEJMHUBHODY-HZPDHXFCSA-N 265.466 4.954 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cc(F)c(Cl)cc1Cl 2325189467 LWXPIZDYTXWOGF-LLVKDONJSA-N 288.193 4.673 30 10 CJEE C=CCCCCCCCNC[C@]1(Cl)CC12CCC2 2326835739 HYUHQJZTKITDMU-MRXNPFEDSA-N 269.860 4.654 30 10 CJEE CCN(Cc1cccs1)C[C@@](C)(CS)C(C)(C)C 2327101867 DJDJGRQQAOHJHB-HNNXBMFYSA-N 285.522 4.552 30 10 CJEE C#CCCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327868113 ARAHKQRGSADXID-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE CC(C)C[C@@H](CS)COC[C@@H]1CC[C@H]1C(C)(C)C 2328528448 PMSAYANVMJVWDQ-QLFBSQMISA-N 272.498 4.667 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CCC2)CCC1 2332675668 OIUTYMOHCDAXPK-GVDBMIGSSA-N 261.453 4.537 30 10 CJEE CCCC[C@](C#N)(CC)C[C@H]1OC[C@@H]2CCCC[C@@H]21 2333564555 IYFTXLLRFCESKO-MWDXBVQZSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)cc1F 2335229936 SEXYUGHTKIARKV-STQMWFEESA-N 281.440 4.771 30 10 CJEE CC#CCC[C@H](NCCC)c1c(F)ccc(C)c1Cl 2335571710 MWHDPAQFVUYCQH-AWEZNQCLSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)[C@@]1(N)CCCCC12CCCCC2 2338725926 WGIKZLGURBKYMG-SFHVURJKSA-N 261.453 4.977 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 2338731537 BEQYMTYKJNLHBA-STQMWFEESA-N 274.326 4.693 30 10 CJEE C=CCC(CC=C)[C@H](CSc1ccc(Cl)cc1)NC 2338739044 RSEQODXOVIEHPC-INIZCTEOSA-N 295.879 4.789 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(F)cc1C1CC1 2339205325 PYQGPZCOGSITTQ-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE Cc1ccc(C#N)c(NCCCC2=CCCCC2)c1 2340973871 OCYLQKYDVJXCAE-UHFFFAOYSA-N 254.377 4.559 30 10 CJEE CCC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341110939 QEWRNUAHIDTBAK-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE CCCCCCCCCC[C@]1([C@H](C)O)CCCCO1 2341236134 CXHFXOIBZKCLFH-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)C1CCC(C(C)(C)C)CC1 2341890251 WTSHGLUQLIFRBI-GQGLESIBSA-N 263.469 4.783 30 10 CJEE C=CCCCC[C@H](NCCC)c1ncc(C(F)F)s1 2343577399 CAJMZEGKQQDECP-NSHDSACASA-N 288.407 4.868 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NC 2344395947 LGOQLDUCSNLSOD-RFQIPJPRSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CCC[C@@H]1C(F)(F)F 2344469046 RPZVXSXZWFPWBE-FQUUOJAGSA-N 278.358 4.708 30 10 CJEE CC(C)C[C@@H](CS)CN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2353846712 SXEQILIXNIUMAE-OWCLPIDISA-N 285.541 4.583 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356189118 AGFQIFQIGNPMQG-XLAORIBOSA-N 281.484 4.530 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359890293 NJRPLKSZKQAIFY-CADBVGFASA-N 274.448 4.538 30 10 CJEE CCCCCCC[C@@H](CC[C@@]12CCC[C@@H]1C2)OCCN 2360092398 JTZRJAPLLOHNPE-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)c1cccc(Cl)c1)C2 6394779 PFNYOUISAXYRQC-WQUXGXPASA-N 289.806 4.767 30 10 CJEE C[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)s1 35237048 AUMMHCFEWIRCML-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE N#Cc1ccc(NCC2CCCCC2)cc1C(F)(F)F 37259972 RLWWUFCTYBCQRT-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c3ccccc23)c(N)c1 37364105 CTEBOZSRUMRGBK-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE C[C@@](C#N)(Nc1ccccc1Cl)C1CCCCC1 37938348 HSLUXVSDVYALCI-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCc1cccc(OCCC[C@@H](C#N)c2ccccc2)c1 57684457 GYXTYALZGMGBAW-SFHVURJKSA-N 279.383 4.715 30 10 CJEE N#C[C@@H](CCCCOc1ccccc1)c1ccc(F)cc1 57685562 WKLZVSJMIGBNOA-MRXNPFEDSA-N 283.346 4.682 30 10 CJEE COc1ccc(C)cc1C[C@@H](C#N)c1c(C)cc(C)cc1C 57762182 PYGGQKADDMPWGG-SFHVURJKSA-N 293.410 4.779 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)CC1 86891543 GRCZSLKJRYBKLT-IUODEOHRSA-N 262.784 4.614 30 10 CJEE Cc1ccc(Cl)cc1OCCCCCCS 87082845 MNORRZUHHRDACB-UHFFFAOYSA-N 258.814 4.517 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCc2ccccc2[N+](=O)[O-])C1 87972316 JGTDJVZFXUBDID-RHSMWYFYSA-N 286.375 4.638 30 10 CJEE CC[C@@H](CS)COc1ccc(C(C)(C)CC)cc1 94582852 ZOOXZBRWETVPTF-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE CCCC[C@@H](CC)COCC1(CS)CCCC1 94584035 PUJWROKVQUNEHB-CQSZACIVSA-N 258.471 4.710 30 10 CJEE CCCc1ccccc1Nc1cc(Cl)ccc1C#N 104016914 XCNVTDZITWIYLB-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE CCCCCCCOc1ccc(-c2nccs2)cc1N 106590116 NYORUTPYRVGMDU-UHFFFAOYSA-N 290.432 4.742 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)c(OC)c(Cl)c1 107536866 JENICUIOVNNNSI-SECBINFHSA-N 257.160 4.519 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CCCO1)NC 109724099 TWMRGBWRWKXPFU-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1ccccc1 110182325 CEWMCQFAOLPUBN-GOSISDBHSA-N 261.453 4.815 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(Cl)cc1C#N 110259877 NWHMUZQYHCSXCP-RISCZKNCSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](C)OCC 113051980 AMVHBCTZWDOKCM-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@@H]1CCC 114058546 ZRFIDCQMWNWPAQ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](CN)c1ccc(Cl)cc1 118846229 MPEHOBONUNMYIV-AWEZNQCLSA-N 253.817 4.743 30 10 CJEE CCCCCCC[C@H](Cc1ccc(CC)cc1)NC 123756113 VUAPSFNSEJXPRE-GOSISDBHSA-N 261.453 4.740 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCCC(C)(C)[C@@H]1O 124174189 JFQACHJXBQOIHV-WMZOPIPTSA-N 283.500 4.643 30 10 CJEE CCSc1cccc(NCCC2CCCC2)c1C#N 127009162 BVJNZSGAHNOZLA-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cccc(OC)c12 128480466 QFMQAPHHENONBB-UHFFFAOYSA-N 273.376 4.720 30 10 CJEE C=CCC[C@@H](NCC)c1cc2sccc2s1 129055986 VHOBESYERYMNRU-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE CCCCCCCCCCNc1nc2ccc(C)cn2n1 129419947 ZAGWOSIMYRLSDZ-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE CCCCCCCC[C@H](NN)c1coc2ccccc12 130395089 OKLFFNPHHZQHHV-INIZCTEOSA-N 274.408 4.688 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC[C@H]1NC 132191003 NPFLNITVVZJMSJ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCCNCC1 133922036 HZLHHXDXMLRTMC-SFHVURJKSA-N 283.500 4.802 30 10 CJEE N#Cc1cc(F)c(Nc2cc(Cl)cc(Cl)c2)c(F)c1 133934108 YFBXHYLQZNCNBD-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(C(F)(F)F)cn1 135384413 JHYGRMNNOVEOHS-AWEZNQCLSA-N 289.341 4.884 30 10 CJEE C[C@H](N[C@H](C)c1ccc(C#N)cc1)C1CCCCCC1 149838194 DAKXZWMYZLYUNW-LSDHHAIUSA-N 270.420 4.568 30 10 CJEE CCc1ccc([C@](C)(O)C2(C#N)CCCCCCC2)cc1 156793702 WVQMMKLFSBGUJQ-SFHVURJKSA-N 285.431 4.711 30 10 CJEE CCCCCCCC[C@H](NCCC)C1(OC)CCC1 158207677 FKHVZMQOPSSWKU-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164491267 ICHRICSNZFWMMA-XHDPSFHLSA-N 297.320 4.925 30 10 CJEE CCCCCCCC(=O)Cc1cc(Cl)ccc1OC 165045133 PNACNUVCQZTUHC-UHFFFAOYSA-N 282.811 4.821 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)CCC 167497335 WVKHWBZESUDNOL-MRXNPFEDSA-N 269.473 4.994 30 10 CJEE N#C[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 167857783 WOOQTGJWBVJHPB-CQSZACIVSA-N 267.294 4.893 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC[C@@H](C)C[C@@H]2C)CC1 218555399 JRIZGUBCEJXEHT-VGAKTEPXSA-N 277.452 4.530 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(CC)(CC)C2)C1 228235807 VNYQNRBRBTUXPC-IKGGRYGDSA-N 276.468 4.607 30 10 CJEE CC[C@@H](C)c1ccc(Oc2ccccc2C#N)cc1 232342044 LWMJVIUPXIDGCS-CYBMUJFWSA-N 251.329 4.864 30 10 CJEE C=CCCCCCN[C@@H](c1cccs1)C(C)C 232691089 IPJNWPYBQBRVIG-OAHLLOKOSA-N 251.439 4.781 30 10 CJEE CCCCCCCCCC(=O)C1(O)CCC(C)CC1 232927436 KUURQPAPSJBIAH-UHFFFAOYSA-N 268.441 4.637 30 10 CJEE CCCCCCCCCN[C@H]1CCC[C@H]1SC 232950109 BADXXVAUIMRSDT-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CC(=NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1 254736287 JVDVHQDNGONESM-UHFFFAOYSA-N 264.372 4.537 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCC[C@H]1C 300283417 KWKNBLIDHAWUOW-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1C 308059361 WCKZKPFVLOWOGV-RDJZCZTQSA-N 271.404 4.634 30 10 CJEE C=CCSC[C@@H](NCCC)c1c(C)cc(C)cc1C 311456649 NBWGOBMRLLCORI-MRXNPFEDSA-N 277.477 4.572 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cccc(C)c1Cl 312263956 MLNXSBGBCMECMV-UHFFFAOYSA-N 292.810 4.697 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1C[C@H](C)c2ccccc21 313354083 NQFONPFSTHQYIO-SCLBCKFNSA-N 262.356 4.527 30 10 CJEE CCC[C@](C#N)(NC1CCCCCC1)C1CCCC1 313482305 SYBIJPUDZUWURN-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE C=CCC(C)(C)CN[C@@H](c1ccccc1)c1ccco1 380489056 VYPQIMYMGSSCPU-KRWDZBQOSA-N 269.388 4.561 30 10 CJEE C=CCC(C)(C)COCc1cc(CNCCC)sc1C 381159730 VMWJUOQTHVQBFH-UHFFFAOYSA-N 295.492 4.675 30 10 CJEE C=CC[C@H](CNCCC)C[C@@H](C)C1CCCCC1 386525759 AEYPANINJRWVIY-CVEARBPZSA-N 251.458 4.785 30 10 CJEE N#CCc1cccc2c(C(F)F)c(Cl)sc12 396189263 LLMDLCJXYANEEU-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)Cc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1 396749803 TVEXZOOATJXGML-VAWYXSNFSA-N 286.224 4.530 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@@H](C#N)C2CCCC2)C1 397172504 BMNLNVQHGONHQN-YUELXQCFSA-N 251.439 4.628 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21 398076559 BUGARAWLDMDRCM-ZYHUDNBSSA-N 269.841 4.723 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Cl)cc(Cl)c1 398116274 PEVZLHAZKLZLCV-NSHDSACASA-N 272.219 4.828 30 10 CJEE CCCCCCC[C@H](NC)[C@H](CC)CC(F)(F)F 402760541 YHXFRKSLKAASDZ-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](c1ccccc1)c1ccncc1 494987077 HVBJMMXTJJQEPZ-PXNSSMCTSA-N 294.442 4.896 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCC[C@@H](OC)C1 686350430 CBEIZXHSVMCZPE-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H]1CCCCC[C@@H]1C 691069659 RKYBGUUWGAIGRB-KSZLIROESA-N 282.516 4.575 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(F)cc1C#N 691171705 WLEOMENBTYFLSP-DOTOQJQBSA-N 274.383 4.714 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc2ccccc2s1 692226795 JBDPKTSXILWXHK-QWHCGFSZSA-N 272.417 4.843 30 10 CJEE CSc1cccc(N[C@H]2CCC23CCCCC3)c1C#N 693864742 DARZNQHWVNNMMD-INIZCTEOSA-N 286.444 4.805 30 10 CJEE CCCCCCCCC(=O)Cc1cnn(C(C)(C)C)c1 695595208 MIDSULYIWOMZNW-UHFFFAOYSA-N 278.440 4.500 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1C#N 695675157 RVARKYYNHQFZEU-DOMZBBRYSA-N 276.811 4.982 30 10 CJEE CCCCc1ccc(O[C@H](C)CC(C)(C)C#N)cc1 695870621 IIFLRJSWFMESHV-CQSZACIVSA-N 259.393 4.736 30 10 CJEE C=C1C[C@H]2CC(NCCCC3CCCC3)C[C@@H](C1)C2 697294973 GDJODCOAXXXVEO-JWTNVVGKSA-N 261.453 4.681 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](OCC)C1CCCCC1 715752509 JGMVFBSONNYHJM-JQHSSLGASA-N 281.484 4.552 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 715752672 KIENXUDHSFOMAY-IINYFYTJSA-N 289.316 4.707 30 10 CJEE CC1(C)CCCCC[C@]1(O)C1(C#N)CCCCCC1 719375545 ZLJMKULNPNLZBQ-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(F)c(Cl)c2)CC1 724447215 RQFAIAFLZCCOBB-LBPRGKRZSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2CC(F)(F)C2)CC1 724598547 BVTBUTKXZLYEAG-HNNXBMFYSA-N 271.395 4.536 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1cc(Cl)cc(Cl)c1 1124102482 OYUPXTVWBDCSKP-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=C(C)CCC(=O)N(C)C1c2ccccc2-c2ccccc21 1126710364 GJYDYYJVHBOZCE-UHFFFAOYSA-N 291.394 4.571 30 10 CJEE C=CC(C)(C)CNC(=O)c1cc(C)c(-c2ccccc2)s1 1128973494 FLEJCBFJVFEDEK-UHFFFAOYSA-N 299.439 4.666 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)c([N+](=O)[O-])cc1F 1163716065 ZFNCDECBTFVPHN-JSGCOSHPSA-N 292.354 4.589 30 10 CJEE CCCC1CCC(N(C[C@@H](C)CCC#N)C(C)C)CC1 1204505174 HCVKGTNOMXCTTM-AOCRQIFASA-N 278.484 4.996 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(OC)c2cccnc12 1205441931 DJXJZUNDDKKYSN-CQSZACIVSA-N 284.403 4.790 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCCC1(C)C 1216884120 KWCIFWPETVOTCS-INIZCTEOSA-N 286.419 4.505 30 10 CJEE C#C[C@H]1CCCN(Cc2ccccc2-c2ccccc2C)C1 1231810721 PVASNSRDVJUCHL-SFHVURJKSA-N 289.422 4.507 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCO[C@H](C)C1 1258230876 DCOFBYXQZSSDRI-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C#CCC1(C(=O)N(C)c2cccc(C(C)C)c2)CCCCC1 1264783196 HOWUUPSAHOEPHH-UHFFFAOYSA-N 297.442 4.747 30 10 CJEE C=CCCC[C@H](C(=O)NC1CCC=CCC1)c1ccccc1 1288946829 KXDZVAWBTBSTSH-IBGZPJMESA-N 297.442 4.742 30 10 CJEE C=C(Cl)CNC(=O)[C@](C)(CCC)CCCCCC 1293720003 HXNVOLDUDDTDMZ-OAHLLOKOSA-N 273.848 4.632 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccccc1SC 1307924249 PHJRURDTDBWWIH-GOEBONIOSA-N 275.461 4.633 30 10 CJEE C=CC1(CC(=O)N(CC)C2CCCCC2)CCCCC1 1352431021 RZKOLPGQKGNZGW-UHFFFAOYSA-N 277.452 4.694 30 10 CJEE C=CCCC(=O)O[C@@H](CC)c1c(Cl)cccc1Cl 1355413502 WHGOQZUQTCOTJB-LBPRGKRZSA-N 287.186 4.954 30 10 CJEE C#CCCCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 1355934259 PFQNWMXPZRWLMG-FQEVSTJZSA-N 299.458 4.502 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 1356426312 XBMIUFUUTOAOEX-DOTOQJQBSA-N 287.447 4.882 30 10 CJEE C#CC[C@@H](NC(=O)[C@@H](CC)CCCCCC)c1ccccc1 1458089801 VBTQMTSKJOXBBP-PKOBYXMFSA-N 299.458 4.864 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1 1458137834 YEWJLLFFLIZGMB-SJLPKXTDSA-N 283.415 4.557 30 10 CJEE C=C(C)CN(CCC)[C@@H](C)c1cc2ccccc2o1 1459344235 LLUFAEUFVRRXAB-AWEZNQCLSA-N 257.377 4.782 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccc(C(F)F)cc2)c1 1459751956 DHWRDWLBYPJFJB-UHFFFAOYSA-N 285.337 4.632 30 10 CJEE C#CCCN[C@H](c1cccc(Cl)c1)C1CCCCC1 1459847029 BHHODMGAGGNARQ-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE C=CC[C@@H](C)NC(c1ccccc1C)c1ccccc1C 1459906973 DXKFFOQONRAPOE-QGZVFWFLSA-N 279.427 4.947 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CCC)CC(C)C)c1ccccc1 1461552039 WUIFDFMMFHNGGN-IAGOWNOFSA-N 274.404 4.919 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1467401749 FOSVRXLQUCJTNO-GOSISDBHSA-N 299.458 4.809 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC[C@H](CC=C)C1)c1ccccc1 1469921649 XEFBHYHURLHHDW-PKOBYXMFSA-N 297.442 4.551 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCCCC)C(C)C 1478964536 RHCFPTBUSFARPF-SJORKVTESA-N 294.483 4.732 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2C)CCCC1 1530442466 GFRHRLYJCLUGLY-UHFFFAOYSA-N 277.795 4.723 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C3CCC3)cn2)CCCCC1 1534585009 ZOPKEPAXLOLYAP-UHFFFAOYSA-N 298.430 4.814 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(OCCCC)cc1C 1534747660 OXGSDGIZMQYHGI-GOSISDBHSA-N 289.419 4.715 30 10 CJEE C=CCCC1(CNC(=O)/C=C(/C)c2ccccc2)CCCC1 1538899200 FLSFTBRWEJABEH-ICFOKQHNSA-N 297.442 4.733 30 10 CJEE C=CCOc1ccc(CN([C@H]2C=CCCC2)C(C)(C)C)cc1 1559638039 LAWFSUJXISGKRD-SFHVURJKSA-N 299.458 4.961 30 10 CJEE C=C(C)[C@@H](NCC1CCCCC1)c1ccc(F)c(F)c1 1559767459 YURGYWBPIZCMHY-QGZVFWFLSA-N 279.374 4.752 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCCCCC)CCCCC1 1563477543 CZAAVFBHULEQCO-INIZCTEOSA-N 294.483 4.924 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(Cl)c(C)c1 1583104775 ZELKBNRFJYCDHF-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C=CCC(C)(C)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1586405162 LEFIJSGYIJWLRE-CABCVRRESA-N 279.468 4.557 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@H](C)CCCCC 1616516068 FFTVKBMBYKUVNU-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 1618527578 CJBXVLYYGOOSAE-SJORKVTESA-N 283.415 4.897 30 10 CJEE CCCCCCCCCCN1CCOC[C@@]1(C)C1CC1 1620650208 PJFCFCDAUXCEJB-SFHVURJKSA-N 281.484 4.628 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(CC(C)C)cc1 1623225076 BRENTTXSTXQPBJ-UHFFFAOYSA-N 288.435 4.609 30 10 CJEE C=C(CC)CN1CC[C@H](c2ccccc2)c2ccccc21 1644115488 AYLMUEWWYLXIFE-GOSISDBHSA-N 277.411 4.995 30 10 CJEE C=C(C)CN(C)Cc1ccc(Oc2ccccc2)c(F)c1 1655129961 FRYOBSGJMKQJLD-UHFFFAOYSA-N 285.362 4.626 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1cc2ccccc2o1 1657780766 AFQSPZJLDYFXQW-DZGCQCFKSA-N 257.377 4.828 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cn(C)nc2C2CCCCC2)C1 1658163817 SHQRXZZZBOORBN-GDBMZVCRSA-N 287.451 4.625 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccc(Cl)c(C)c1 1659167506 VGKPMWDXLQFVHF-UHFFFAOYSA-N 299.845 4.879 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)c1ccc(C)cn1 1660277692 YLZQKOYGCMZYDL-KRWDZBQOSA-N 288.479 4.782 30 10 CJEE C=CCn1ncc2ccc(NC[C@@H]3CCCC(C)(C)C3)cc21 1663374728 MCSKDFIOWYMTOE-OAHLLOKOSA-N 297.446 4.851 30 10 CJEE C=CCCCCCCCNC(=O)N1C[C@@H](C)CCC[C@@H]1C 1673405685 DNIUXENIENBEJS-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE CC(C)c1ccc(Nc2nccc(C(C)C)c2C#N)cc1 1859849870 LNVPKOCIOFTNGS-UHFFFAOYSA-N 279.387 4.944 30 10 CJEE 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CCC(=NO)c1cccc(O[C@@H]2CCCC(C)(C)C2)c1 2197414889 DJBBEBBUCQBXKR-OAHLLOKOSA-N 275.392 4.623 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3C[C@@H]4CC[C@@H]4C3)n2)cc1 2199651973 DLXNTHFUWMVJHI-QDMKHBRRSA-N 280.396 4.585 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2201145414 YHHIGRYJSLXKFL-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCC=C1[C@H](N)COC1(C)C 2201640509 WCRGPCJPNPRICT-QGZVFWFLSA-N 281.484 4.970 30 10 CJEE CCCCC#CC[C@H](NCC)c1ccc(C(F)(F)F)o1 2203821145 BHUODZPSEUVNMA-LBPRGKRZSA-N 287.325 4.533 30 10 CJEE CCCCC#CC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NCCC 2203822573 KERZYTBGQDHXSU-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C#CCCCCCN[C@H](C)c1cccc2ccccc12 2206330840 TZEVJTCEDVKVGK-MRXNPFEDSA-N 265.400 4.684 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@](O)(CC)C(C)(C)C 2206885844 OBDHJMFIHXLEMZ-AEFFLSMTSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@H](NCC)c1cn(C(C)C)cn1 2206886003 OWAFNFVAICNVAC-INIZCTEOSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](C)(O)c1cccs1 2207381127 GFKUMXMZLQJVKX-QGZVFWFLSA-N 294.460 4.832 30 10 CJEE C=CCCCCCCCCN1CC=C[C@@H](OCCC)C1 2207382072 NXTPQNXMUGHIAG-GOSISDBHSA-N 279.468 4.570 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@](C)(O)C1(C)CC1 2207401283 AURXMAXHJGDCAJ-SJLPKXTDSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1sccc1C 2207428572 YHRDCPXRPIPGGA-CVEARBPZSA-N 295.492 4.724 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1csnc1OC 2207436972 OINZMJPWWPLGQH-HNNXBMFYSA-N 296.480 4.719 30 10 CJEE Cc1sc([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c(C)c1C 2209871945 SJIZTJCLVHNLDJ-STQMWFEESA-N 292.253 4.623 30 10 CJEE CCCCC[C@@H](C)Oc1ccc(Br)cc1C#N 2215135283 KAKPWVWKDAKOJF-LLVKDONJSA-N 296.208 4.668 30 10 CJEE Cc1cc(C#N)ccc1SCCCCCC1CC1 2220021655 CRVRKGLRIDXPNC-UHFFFAOYSA-N 259.418 4.929 30 10 CJEE C=CCCCCCCCC(=O)c1nc(C)sc1C 2220091749 HMTKFUJYPDZJJN-UHFFFAOYSA-N 265.422 4.859 30 10 CJEE CCCCCCCCOc1ccsc1CNCC 2221755886 DNLJVYQDFPNZGR-UHFFFAOYSA-N 269.454 4.597 30 10 CJEE CCCCCCCN1C[C@H]2CCC[C@@]2(C(F)(F)F)C1 2225295381 LVQSHFLKPZGYKE-ZIAGYGMSSA-N 277.374 4.621 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2scc(C)c2C)CC1 2225857809 PCVZRIUAMFVLDK-SIWZUTFBSA-N 277.433 4.509 30 10 CJEE C=CCCCCCCCNC[C@]12CCC[C@@H]1CSC2 2227271646 BCWHBYMCNIQVOT-SJORKVTESA-N 281.509 4.636 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]2C[C@@H]2C1 2227290296 FNLARKXXQQEUJC-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCC(CC)(CS)CN(C)CC1(C)CC2(CCC2)C1 2228210860 LHRUGVNVARBKMU-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CCC(C)(C)CNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2228666446 VMESCOIVLISSAC-UHFFFAOYSA-N 282.771 4.571 30 10 CJEE CCCCCCCCCCOCCC(C)(C)C(=O)O 2231009010 OOVDQGIEBRHQHQ-UHFFFAOYSA-N 272.429 4.645 30 10 CJEE C=CCCCCCC[C@@H](CCc1cccc(F)c1)NC 2232790409 DQLWUZUUZMGIQB-SFHVURJKSA-N 277.427 4.873 30 10 CJEE C=CCCC[C@@H](C)NC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233672682 YDGOFZPQBKRAPL-LVQVYYBASA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc2c1OCO2 2233870236 JUIRXGKUTMLGMA-OAHLLOKOSA-N 278.392 4.589 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@](C)(N)C1CCCCC1 2235518616 IGXSTWHUOQTMNX-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H](OCC)C1 2235528352 HHIYCGLLKOBLTI-MSOLQXFVSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCN1C(=O)CC[C@@H]2CCCC[C@H]21 2235533722 VOOVWLCGQHVVNO-DLBZAZTESA-N 277.452 4.694 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(O)C1(C)CCCC1 2235541301 GVZYHMXTSJZGQA-FUHWJXTLSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H]1CC[C@@H]1C)NCC 2236251108 DYKSRFUCHQQGMN-MHORFTMASA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@]12COC[C@H](C1)C2 2236294679 KYTORKVMBJQAOE-KURKYZTESA-N 281.484 4.661 30 10 CJEE CC1CCC(C=O)(CC2(C)CC3(CC(F)(F)C3)C2)CC1 2238799197 FNLMIFOWTHZNLL-UHFFFAOYSA-N 284.390 4.988 30 10 CJEE CC1=C(C)C(=O)[C@H](CC2(C)CC3(CC(F)(F)C3)C2)CC1 2239160188 ICCZYBBUIQXGLO-ZDUSSCGKSA-N 282.374 4.908 30 10 CJEE CCCCCCCCCOC[C@H](NC)C1CC(C)(C)C1 2239444476 BBIORGJDFACLLA-KRWDZBQOSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCO[C@H](C)CC(C)(C)C(=N)NO 2239484423 WLQDWHAMFUSRAI-CQSZACIVSA-N 286.460 4.514 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H](N)C12CCCC2 2239486347 FRVAXDLLUPESDX-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H](NC)[C@@H]1CC 2239492132 HTQRHPVWECEOCQ-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](C)(C(=O)O)c1csc(C)c1 2239499629 BIAKEDXSURWVDO-GOEBONIOSA-N 296.432 4.508 30 10 CJEE CCCCCCCCCCO[C@@](C)(CC1CC1)C(=O)O 2239504841 UIPNKGMQSUYORA-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)Oc1cccc(C(F)(F)F)c1N 2239513629 QRYWAGKASJNLLI-LLVKDONJSA-N 287.325 4.801 30 10 CJEE CCC[C@H](CS)CN(C)Cc1ccc(C2CCC2)cc1 2240269719 WTOTYLGJMVOBEM-INIZCTEOSA-N 291.504 4.732 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)CC1CCC1 2240555379 GXHYGVRUTQUPPK-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)C1CCCCC1 2240641543 BSNNYPVMVQCLNI-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@@H]1CC[C@@H](C)C1 2240649425 OTYAVFCHWBIVCF-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C=CCCCSCc1ccc(Br)s1 2241917916 WIHZLVIYNOFJLU-UHFFFAOYSA-N 277.252 4.710 30 10 CJEE C=C(CC)C[C@@H](O)c1cc(Br)cc(C(C)C)c1 2247256055 SWTJDCOTHDSUNV-OAHLLOKOSA-N 297.236 4.962 30 10 CJEE C=CCCSC[C@H](NC)c1cc(Cl)ccc1Cl 2250066058 UYPRJUXIAANNJN-ZDUSSCGKSA-N 290.259 4.563 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccccc1Br 2250157496 ZIACATLZSCQXGR-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC2CC(C)(C)C2)C1 2251082901 GATVNVUCJVGHOU-BZPMIXESSA-N 251.439 4.627 30 10 CJEE CC1CC2(C1)CC(SC[C@@H](CS)CC1CC1)C2 2251131719 XKQKJKOMPSXJPB-QZMFJGEPSA-N 270.507 4.644 30 10 CJEE C=C(C)CCCC[C@H](NC)c1c(F)cccc1Cl 2259197071 SXDBSDJOGAMQOT-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1NC 2259210136 FUNNZNSIYBSBMA-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@H](CCCC)OCCCN 2262534745 SQIYFVAQMQUDTG-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@@H](C)C1(F)F 2263710547 DNXNYDUAHYACDF-BFHYXJOUSA-N 261.400 4.759 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(F)C[C@H]1C 2263713496 SEVNLPNWFRWIDA-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=C1CCC(C[C@@H](N)C[C@@H]2CCCCC23CC3)CC1 2264901890 GAZSLMRGPDYDIW-DLBZAZTESA-N 261.453 4.811 30 10 CJEE N#Cc1cc(Cl)cc(OCC2CC3(CCCC3)C2)c1 2265226042 XKLROWVFWXSPOT-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE C=CCSc1ccccc1NC1CC2(CC(F)C2)C1 2265725377 ODXYWQQYTJWINN-UHFFFAOYSA-N 277.408 4.657 30 10 CJEE CCc1cccc(F)c1NCCCCC(C)(C)C#N 2267949366 ZEEJISKLIMTHOI-UHFFFAOYSA-N 262.372 4.520 30 10 CJEE C=C(C)CCCCN[C@@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2271780733 IAEQGGOWIBIHTN-YFVGIKETSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@](C)(CC(C)(C)C)OCC(=O)O 2275641067 LTQHLFLRDBVFDD-INIZCTEOSA-N 272.429 4.643 30 10 CJEE C=C(Cl)C[C@@]1(OCCCN)CCC[C@H](CCC)CC1 2276226558 XKHXOPRSGPSWCN-JKSUJKDBSA-N 287.875 4.614 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)CC)OCCN 2276393981 XCETWBLMCYBEJJ-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CCC[C@H]1C 2276414518 GYNQYYLVIHIHRS-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C(F)F 2276638137 YVBBYFOSPUOBFC-OAHLLOKOSA-N 279.415 4.516 30 10 CJEE CCCCCCC[C@@H](CC1(C)CCC1)OCCCN 2276642665 UVSFHDHXWPACDF-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCCC=C1C 2277373850 HGJQCKXVFHTZFS-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CN(CCCCCCCS)CC1(C)CC2(CCC2)C1 2277508229 RPVPOPOVNDDDJH-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1C[C@H]1COC 2278174421 VSYXWDINEVWEEX-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2278605581 OMJYKOHIPAARQP-CMPLNLGQSA-N 288.407 4.508 30 10 CJEE CC[C@@H]1CCC[C@@H](CNc2c(F)cccc2C#N)CC1 2280479503 BSZPDTGWFAPZPR-ZIAGYGMSSA-N 274.383 4.716 30 10 CJEE C=CCC[C@H](C)Oc1cc(C)c(CNCCC)c(C)c1 2282941770 JKTNHMPVSWFRTF-INIZCTEOSA-N 275.436 4.537 30 10 CJEE CC(C)(C)C#CC=CCN[C@H]1CCC2(CCCCC2)C1 2284115918 OYLAYZOECUGORD-KRWDZBQOSA-N 273.464 4.685 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1(C)CCC2(CC2)CC1 2284179095 FUYFKHKTLNRZGD-MRXNPFEDSA-N 273.464 4.670 30 10 CJEE CCCCCCCCCC[C@H](O)c1cncn1C(F)F 2284789802 FRHARQVPRNFLSM-AWEZNQCLSA-N 288.382 4.842 30 10 CJEE CC(C)C(Oc1ccc(C(F)(F)F)c(C#N)c1)C(C)C 2286189346 WFGAMCBZQQULIG-UHFFFAOYSA-N 285.309 4.636 30 10 CJEE C=CCCCCCCCSC[C@H]1CCC[C@](N)(C#N)C1 2287094192 MZNJSMQZVDZXHU-DLBZAZTESA-N 294.508 4.657 30 10 CJEE C=C(C)CCCCC(=O)C1(O)CC2(CCCCCC2)C1 2287385023 MIGPYSNWFWSQFD-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(C(C)(F)F)on1 2287468171 ZKIJNTMMMIVAES-LBPRGKRZSA-N 286.366 4.573 30 10 CJEE CC(C)C1CCC(C=O)(CC2CC3(CC(F)C3)C2)CC1 2287779108 WGSKGENLMLCKCP-UHFFFAOYSA-N 280.427 4.936 30 10 CJEE CC(C)CCC[C@H](C)CCNc1nccc(C#N)c1Cl 2287930860 USLKECKZJZWIBE-ZDUSSCGKSA-N 293.842 4.871 30 10 CJEE N#CCN(C[C@]12CCCC[C@H]1CC2)C1CCCCCC1 2289044018 GQCPWUWDXLDFBB-FUHWJXTLSA-N 274.452 4.505 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(C)c(F)c1F 2289638472 MRACEAQHDJEOOS-HNNXBMFYSA-N 284.390 4.927 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CC[C@@H](CC)C1 2289900954 JWFAKDKKXPABAV-MJGOQNOKSA-N 275.480 4.766 30 10 CJEE CCCCCCCC[C@](CCC)(OCC(=O)O)C(F)F 2291564080 WOARRTKXRQRCIV-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE C=CCCCCCCCC1(OCC(=O)O)CC(C)(C)C1 2291811195 WAIFTIMWPCTASI-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCC(=O)O)CCCC[C@H]1C 2292703245 UKUKJTVODMFMBV-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCCC[C@@H]1CC 2292714674 RTXQGXFAAJMNKE-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@@H]1CCCC[C@H]1C 2292782373 QDWNEQZHJWOLNV-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C[C@H](C)CC[C@@H]1C 2292891057 GCSTWXCVHVRKME-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC1(OCCCN)CCC(C)(F)CC1 2292897557 YREMENIMIMRIGY-UHFFFAOYSA-N 285.447 4.529 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H](C)C1CCC1 2293462552 DXTHIPHIETUVSN-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)C=C(C)CCC1 2293855455 KDCAWLVBVTZXOU-GOSISDBHSA-N 279.468 4.747 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1=CC[C@H](C)CC1 2294401602 BLNHBASEMSGHHK-FUHWJXTLSA-N 281.484 4.827 30 10 CJEE CN(CCCCCCCS)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2294769833 CVWFGVMSOJHHGU-ULQDDVLXSA-N 297.552 4.871 30 10 CJEE C=CC1(C[C@H](Cc2ccc(Cl)c(F)c2)NCC)CCC1 2295164680 USBXYHXFNHOTOH-AWEZNQCLSA-N 295.829 4.746 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C[C@H](C)CC 2295536251 LVJKRPPJNSHRJP-MSOLQXFVSA-N 284.532 4.822 30 10 CJEE CCCCCCS[C@@H]1CC[C@@H](C)[C@](C#N)(NC2CC2)C1 2295761866 RICPBVFIFIIUEB-OIISXLGYSA-N 294.508 4.503 30 10 CJEE O=C(C(F)=Cc1ccccc1)c1ccc(C(F)(F)F)cc1 2297201528 XYXHBEQLMUDTKV-UHFFFAOYSA-N 294.247 4.899 30 10 CJEE C=CCC[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2302371874 KSEFZMVSSBQJGH-CQSZACIVSA-N 272.219 4.610 30 10 CJEE C=CCC[C@H](C)NCc1cc(F)c(Cl)cc1Cl 2306198568 CNQSNRRNZCZCJM-VIFPVBQESA-N 276.182 4.577 30 10 CJEE CC(C)(C)[C@](C)(CS)CSCC1[C@H]2CCC[C@H]12 2307096989 JNBZDWXBZWJDEA-SLEUVZQESA-N 272.523 4.748 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@H]2CC[C@@H]1C2 2313173593 COSQPFLTZSSFJH-YLFCFFPRSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)SCC(=O)c1ccc(C(C)C)cc1 2313695201 KVMGYJNRMPKWCG-CYBMUJFWSA-N 262.418 4.691 30 10 CJEE CSc1cccc(SCC[C@H](C)C(F)F)c1C#N 2316612767 MTZYZVWPLXSCAP-VIFPVBQESA-N 287.400 4.664 30 10 CJEE C=CCC(CC=C)[C@](C)(O)C1CCC(CC)CC1 2316740119 YMUSJTOGGAMUKY-PREGVCBESA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(F)c(C)c1Cl 2316749735 MZXNYEUDURAOSC-HNNXBMFYSA-N 268.759 4.589 30 10 CJEE C=C(C)C[C@@H](CCC(C)(C)C(F)(F)F)NCCC 2319291234 PNTAWFAZLKMTMW-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(C)c2sccc2c1 2321099599 TXNGTIAEFSWVHK-NHYWBVRUSA-N 259.418 4.682 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2321106148 WCZXPIWFVKGBPZ-HMDCTGQHSA-N 251.458 4.769 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1sc2ccccc2c1C 2321116473 JRKYIECNQIOVPX-XHDPSFHLSA-N 259.418 4.682 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C)c(Cl)cc1F 2321225374 PKTODEYOZMFYQW-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C)c2ccccc2[C@@H]1NC 2335205826 GSALUCUMKHNFJM-CLROSIBMSA-N 275.461 4.521 30 10 CJEE C=CC[C@H](C)Sc1cc(C)ccc1CNC(C)(C)C 2335245990 SHJNTLCECNWVPN-AWEZNQCLSA-N 277.477 4.940 30 10 CJEE 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AODZJMHIVUJTQV-GIJQJNRQSA-N 276.742 4.542 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2sccc2C)c(C)c1 83194195 GIJICRYXGJYFEF-AATRIKPKSA-N 270.397 4.878 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](C#N)(N2CCCCCC2)CC1 86961864 HOXHCKXOYVWCIC-AEFFLSMTSA-N 276.468 4.751 30 10 CJEE C=CCCC[C@@H](CSc1ccc(Cl)cc1)NCC 90245449 BKFYYQWPPKSHAR-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCCC[C@@H]2CC)CC1 91886085 NBHWTXCEAQKSFA-JYSRZZCRSA-N 277.452 4.818 30 10 CJEE CCC(CC)(CS)COc1cc(C)ccc1Cl 94584419 ZGLNKIWSGPZCQF-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc2ccccc2o1 97208755 IKLQDDOSZNCNGS-OAHLLOKOSA-N 257.377 4.830 30 10 CJEE CCCCCCCc1c(C)nn(C(=O)c2ccccc2)c1C 100458508 PZFVUJMXCOZUBU-UHFFFAOYSA-N 298.430 4.701 30 10 CJEE CCCCCCCCO[C@@H](c1sccc1C)[C@H](C)N 103975286 ZEIAJYBXJDRTET-LSDHHAIUSA-N 283.481 4.822 30 10 CJEE CCCCCCCOc1cccc(-c2csc(N)n2)c1 104001096 ZFVAGYSOKPWVTM-UHFFFAOYSA-N 290.432 4.742 30 10 CJEE CCCCCCCNCc1cc(F)cc(Cl)c1 106265552 IFVHDZMYDXXGBJ-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CC#C[C@H](C)Cc1cc(C)cc(C(C)(C)C)c1OC 107671760 MXYVUAMRADYLMT-ZDUSSCGKSA-N 258.405 4.503 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(Cl)cc1 109712528 GOHXMLPHHSLBSY-INIZCTEOSA-N 268.828 4.994 30 10 CJEE CCCCCCCO[C@@]1(CNC(C)C)CCC[C@@H](C)C1 110067919 DMEGAFSDHAXZSS-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](Cc1cc(C)cc(C)c1)NC 110446619 IEGDKKBVXRLLDH-SFHVURJKSA-N 261.453 4.794 30 10 CJEE CCCC[C@@H](CC)COc1cc(C)ccc1/C(C)=N/O 110963127 GIEWQDMULHGBPI-LWFDYCOSSA-N 277.408 4.788 30 10 CJEE CCCCCCCCCc1nnc(CNCC(C)C)s1 116083919 YWBHYACPFRGQEU-UHFFFAOYSA-N 297.512 4.577 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(Cl)ccc1C 122330016 FRWKKAOYMLRFEJ-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE CC(C)c1ccc(Sc2cc(C#N)cc(Cl)n2)cc1 122898541 OZORQTZXIYLRRI-UHFFFAOYSA-N 288.803 4.881 30 10 CJEE CC1(C)CC(Nc2ccc(C#N)cc2)CC(C)(C)C1 124729133 HILZWJLDYBUFMN-UHFFFAOYSA-N 256.393 4.575 30 10 CJEE CC(C)(C)c1ccc(Sc2cccc(C#N)c2N)cc1 125829637 LXXKWHDBEPKAGM-UHFFFAOYSA-N 282.412 4.589 30 10 CJEE Cc1cc(NCc2ccc(C(C)C)cc2)ccc1C#N 126347011 VAODCYASGGUUHH-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE Cc1ccc2cccc(Oc3ccc(C#N)c(C)c3)c2n1 126910517 GIUZAAOIMWQFGF-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H](CC)OC 130837207 XBQISIRUKOTJDZ-IRXDYDNUSA-N 286.504 4.554 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)OC)NCCC 134490163 QFBUKWYCDCZHDV-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCSc1cccc(Nc2cccc(F)c2)c1C#N 136611581 PJJATBWNDKVXFJ-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCSc1cccc(N(C)Cc2ccccc2C)c1C#N 136632329 WCNXREHXKCOWME-UHFFFAOYSA-N 296.439 4.615 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(CC)nn1C 139518811 WZVORJLATLWHLE-KRWDZBQOSA-N 293.499 4.774 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)c1ccccc1 143801285 JJXSCYOKFMFGRH-MRXNPFEDSA-N 278.392 4.580 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 157995236 SHNWBHMJLGMYFG-IKGGRYGDSA-N 279.468 4.617 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1cccnc1 158044700 PCRMSOZZSCCZNT-SFHVURJKSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@H](NCC)C1C[C@H]2C[C@@H]2C1 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300658651 LSCIIBMXCRNWGX-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1cc2sccc2s1 309576513 PBIFNUARCSLSOH-NXEZZACHSA-N 251.420 4.578 30 10 CJEE N#CC1(Cc2csc(Cl)n2)CCCCCCC1 310252260 DUXNLKLZFQEAOS-UHFFFAOYSA-N 268.813 4.593 30 10 CJEE C#C[C@@H](NC(=O)CCCCCCCCCCC)C(C)C 312161383 LKIMQESAPDMLCR-QGZVFWFLSA-N 279.468 4.681 30 10 CJEE C=CCC(C)(C)Cn1c(C)cc2c1CC(C)(C)CC2=O 312468869 GNEKTUCTUNDTKI-UHFFFAOYSA-N 273.420 4.554 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(OCCC)cc1 312639143 PHHXPQVDLQJCIW-OAHLLOKOSA-N 275.436 4.728 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCCC12CCCC2 313090424 MQXHHIOKNWYLAE-GVDBMIGSSA-N 274.452 4.551 30 10 CJEE CCCCCCCCCCN1[C@H](CN)CC[C@@H](C)[C@H]1C 316792832 GHTCDUYHNPVNLC-KURKYZTESA-N 282.516 4.575 30 10 CJEE CC1(C)CCC(C=O)(CCCC(F)(F)F)CC1 317084398 CYUNOSKQGOYBTL-UHFFFAOYSA-N 250.304 4.505 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(C)cc(F)c1 379921626 DAPBVBMQGCQQRU-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE N#C[C@]1(Nc2ccc(F)cc2)CCCCC12CCCC2 380410109 ACCZPIIVRINWNW-QGZVFWFLSA-N 272.367 4.634 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc(CC)cs2)C1 383114897 ZTWADAVSXKYKSA-MBNYWOFBSA-N 294.489 4.906 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)C1(C)CC1 386134650 WFNSNRFVQFTQEV-CQSZACIVSA-N 271.514 4.623 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@]2(CCC[C@@H](C)C2)CS1 391325823 IAKFCFZHAHLUST-PBHICJAKSA-N 296.524 4.844 30 10 CJEE C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)cc1F 393746405 MQAKMTLNSTUDHO-SNVBAGLBSA-N 261.262 4.611 30 10 CJEE Cc1cccc(N[C@@H](C#N)CC2CCCCCC2)c1 394532714 LQIZYWZOQOWCOW-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CC(C)[C@@H](C#N)CSc1cc(Cl)cc(Cl)c1 397495672 DLGLHVRSYKSPQU-VIFPVBQESA-N 274.216 4.881 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1csc(C)c1C 399775455 OGQUCWIBJJCSPY-OAHLLOKOSA-N 251.439 4.762 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC=CCC1)NN 402117476 BLFLVLJSIDTGAW-SJORKVTESA-N 266.473 4.705 30 10 CJEE CN(C[C@@H]1CC[C@H]2C[C@@H]2C1)CC1(CS)CCCCCC1 403634311 GCAQIRGPVWEJDT-IKGGRYGDSA-N 295.536 4.625 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cnsc1 404584667 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CCCCCCCCN(C)[C@@](C)(CN)C1(C)CCCC1 2196737500 BTVWLARGNDFFLF-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C[C@]1(CNCCC)CCC[C@H](C)C1)C1CC1 2196852707 CYGCQNSYVOKYBN-UHOSZYNNSA-N 275.480 4.622 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1cc2c(s1)CCCCC2 2196852956 FGJSIIWWSFAEMF-GDBMZVCRSA-N 289.488 4.717 30 10 CJEE C=C(c1ccccc1)[C@]1(N)CCCCCCCC1(F)F 2197142466 QYQKJXJJFMKLQR-MRXNPFEDSA-N 279.374 4.777 30 10 CJEE CC1(C)CC[C@@]1(C)N=C1NC2(CCCCCCC2)CS1 2197286290 GYEDYPAFXOTEAP-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@](C)(OC[C@@H]1C[C@H]1CCC)C(=O)O 2200540590 QKBVNESDXFSURJ-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCC#CC[C@H](NCC)c1snc2ccccc12 2203786249 DFOPDRZTZFYEQH-INIZCTEOSA-N 286.444 4.531 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCCSCC1 2203791029 KPNYYIZRZOTJBC-QZTJIDSGSA-N 295.536 4.862 30 10 CJEE CCCCCC#CC[C@@H](C[C@H](C(F)F)C(C)(C)C)NC 2203809339 FSZWAKPLQOSDQW-LSDHHAIUSA-N 287.438 4.866 30 10 CJEE C#C[C@H](N[C@@H]1CCCCC12CCCCC2)C1CCCC1 2204038218 FYMULMLAWCQYJC-ZWKOTPCHSA-N 273.464 4.661 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)CCC[C@H]2N 2206894145 HOXCLVKSJNZDOF-GOSISDBHSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCOc1ccc(C)cc1[C@@H](C)NC 2206894233 ICXASTBQNWUSPF-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2206896630 GQUVLCLCGVDIAQ-NYLIBXOJSA-N 275.480 4.783 30 10 CJEE C=CCCCCCCOc1cc(CNCC)ccc1C 2206898768 JBMAKJINHRRUCF-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(O)CC[C@H]1CC 2207377847 PGBQSKFGOFNFRX-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H](C)[C@H]1CCCCO1 2207396176 KCDBGXJFXHJSNP-FGTMMUONSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2207403851 QDGFREAYNPHJQS-VUABBVGZSA-N 275.480 4.913 30 10 CJEE C=CCCCCCCCCC[C@@H](NCCC)[C@@H](C)CN 2207424250 CPLUOACRZODJCX-ZWKOTPCHSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H]1COC[C@@H]1C 2207430893 ZNZMOTBQSMLKLA-KSZLIROESA-N 281.484 4.554 30 10 CJEE CC1(C)OB([C@@H]2C[C@@H]2c2ccc(C3CCC3)cc2)OC1(C)C 2212621227 HZJPSLXGCQKZHE-IAGOWNOFSA-N 298.235 4.904 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C1CC(C(C)(C)C)C1 2223551313 ZRTXYCRXIHONCY-WXLSXGNJSA-N 251.458 4.639 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CSCCS1 2223851206 UORRUMIPPLYUPX-GJZGRUSLSA-N 289.554 4.564 30 10 CJEE C=CCCCCCCCCN[C@@H]1CC[C@@H]1C(F)(F)F 2224568529 FZKKTPZGQISSBY-UONOGXRCSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCC[C@H](O)Cc1ccccc1C 2227270256 DYTZGLYTJFFDCI-SFHVURJKSA-N 260.421 4.815 30 10 CJEE C=CCCCCCCCn1ccc(C(=O)C(C)C)c1 2227271207 JFJMHXVTRWPQSC-UHFFFAOYSA-N 261.409 4.853 30 10 CJEE C=CCCCCCCCOc1ccc2c(c1)CCO2 2227278785 CPPZYULTVFLVSJ-UHFFFAOYSA-N 260.377 4.527 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CC[C@H]1C(F)(F)F 2227288986 RODBRWXHYBNQEG-MJBXVCDLSA-N 278.358 4.853 30 10 CJEE C=CCCCCCCCSC1CCC(C(=O)O)CC1 2227290968 MJBJTLRVZKDTIV-UHFFFAOYSA-N 284.465 4.890 30 10 CJEE CCCCCC#CC[C@@]1(N)CCC[C@@H](C(C)(C)C)C1 2229816503 KQMWZEGLFHWEOF-SJLPKXTDSA-N 263.469 4.894 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)C1(C)CC1 2230981861 OMFQGQGJDXEDRA-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@H]1CCCC(F)(F)C1 2231487970 WPEXNYXPWIZABR-UKRRQHHQSA-N 271.395 4.536 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2CC[C@H]2C(F)(F)F)CC1 2232579155 CCCUQPLOYXPFBH-JHJVBQTASA-N 288.353 4.917 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1csc(C(C)(C)C)n1 2233780627 BBHMOSYPNUAKEZ-CYBMUJFWSA-N 292.492 4.531 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H](NC)[C@H]1CC 2234041215 ISFJLPFWKOFHRV-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCOCc1csc(CNC)c1 2234042517 FWQCJVXBGVVOBG-UHFFFAOYSA-N 295.492 4.901 30 10 CJEE C=CCCCCCCC[C@H](N)C(C)(C)[C@H]1CCCCO1 2235519085 MSKQMMOHPPXYFV-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC1(CNC(C)C)CCOCC1 2235521677 LHPRDHTZQVHXKM-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@]1(C)CCCC1(F)F 2235526879 PFLNCMHVAWZVDP-GJZGRUSLSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(C)cc1C 2235527853 ZPBAFBQAGUWYTK-GOSISDBHSA-N 274.452 4.725 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccc(C)cc1C 2235527854 ZPBAFBQAGUWYTK-SFHVURJKSA-N 274.452 4.725 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1CC(C2CCC2)C1 2235539145 NOJKNBRIUOXLNY-DAWZGUTISA-N 278.484 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@]1(C)CCCCO1 2235539568 PUQPOXYNTIDDRT-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCN(C)CC1C[C@H]2CSC[C@H](C1)C2 2236794189 DKXKASZNUFHTOU-QZTJIDSGSA-N 295.536 4.834 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccc(C(=O)O)cc1Cl 2239482289 MUXOWMOQPMJFDB-AWEZNQCLSA-N 296.794 4.690 30 10 CJEE CCCCCCCCCCCCOC(=O)CC(C)(C)N 2239488546 ASJCYTDMYNOYGX-UHFFFAOYSA-N 285.472 4.578 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(C2CC2)cc1 2240354685 KWKLJWNDPRJTDU-KDURUIRLSA-N 267.416 4.637 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@@H]1C=CCCC1 2240640584 RRINHJJIXSUASU-AEFFLSMTSA-N 280.452 4.804 30 10 CJEE C=CC[C@H](NCCC)c1ccc(Cl)cc1CC 2248365888 PZAKNIFZYIAKFC-HNNXBMFYSA-N 251.801 4.519 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1cccc(Cl)c1 2250159266 PGAFDPAFXZYLFM-HNNXBMFYSA-N 252.785 4.684 30 10 CJEE CCCCCCCCC[C@@]1(C)NC(C)(C)CS1 2252953176 OBNDCNBAQQGKSQ-HNNXBMFYSA-N 257.487 4.958 30 10 CJEE CCCC[C@H](CC)CSC[C@@H](C#N)C(F)(F)F 2252959324 GWNJFKVBZNZLRX-WDEREUQCSA-N 267.360 4.638 30 10 CJEE CCCCCCC[C@H](C)NCc1cnc(SC)s1 2257108172 ZRZDUFNLQLBDGL-LBPRGKRZSA-N 286.510 4.704 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Cl)nc(Cl)c2)C1 2258726272 MPJAFTLAIXOGFG-QMTHXVAHSA-N 283.202 4.651 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCC[C@H](C)C1 2259176777 QOPZMYDGGGTDJG-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCCN1CCC(c2cccs2)CC1 2259181462 YUIDGTXJSJFYDH-UHFFFAOYSA-N 263.450 4.674 30 10 CJEE SCC1(CO[C@H]2CCCC23CCC3)CCCCC1 2259428689 JNRHIXCQTLROIS-AWEZNQCLSA-N 268.466 4.606 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H]1CC(C)(C)CCC1(C)C 2261401977 KJOJJAKTBOPIQH-LSDHHAIUSA-N 251.458 4.926 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CC1(C)CCC1 2261456296 UVQWMPXAXOWYOH-SFHVURJKSA-N 271.470 4.750 30 10 CJEE CCC[C@H]1CCCCN(CCCCCCCS)C1 2263210303 PWPRZLRPBXVXCR-INIZCTEOSA-N 271.514 4.769 30 10 CJEE C=C(C(F)(F)F)[C@@](C)(O)CCCCCCCCC 2263665370 LDTVDSAJKNXHPU-ZDUSSCGKSA-N 266.347 4.997 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)C1(F)CC1 2263713279 RHMLZKSADWUTGZ-CABCVRRESA-N 257.437 4.996 30 10 CJEE C=C([C@H](C[C@H]1CCCCC12CC2)NCC)C(C)(C)C 2264895518 SEQYMTISASVRFK-CVEARBPZSA-N 263.469 4.927 30 10 CJEE Cc1cc(N[C@@H](C)C2(C)CCCC2)cc(C)c1C#N 2265847682 OAUNHBGJHGOARL-AWEZNQCLSA-N 256.393 4.556 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(F)c(Cl)c1 2268741477 HRCYTHRCFLSOAS-HNNXBMFYSA-N 280.770 4.508 30 10 CJEE CCC[C@@H](NCC=CC#CC(C)(C)C)c1cccs1 2268825595 SYEBJEUUYUZIFU-OAHLLOKOSA-N 275.461 4.785 30 10 CJEE CCCCCCCC[C@H](N)c1nccc2occc12 2268935968 HQQNDWGUCCYSAF-AWEZNQCLSA-N 260.381 4.578 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1ccsc1C 2276150240 ADPKDZYZSWMLDB-MRXNPFEDSA-N 281.465 4.600 30 10 CJEE C=CC[C@H](C)[C@@H](OCCCN)c1cc2cscc2s1 2277342131 OMLLGRMQXIILEA-XHDPSFHLSA-N 295.473 4.582 30 10 CJEE CC(C)[C@@H](CCC(F)F)Nc1ccc(C#N)c(Cl)c1 2278801506 BQIOUMQEVHVFMQ-CYBMUJFWSA-N 286.753 4.693 30 10 CJEE O=C[C@]1(CCC23CC4CC(CC(C4)C2)C3)CCCSC1 2279854891 HTOFDEDGJGCODJ-AWDGRILASA-N 292.488 4.695 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C1CC2(C1)CC(C)(C)C2 2284180403 MNESFGBOHGPECA-INIZCTEOSA-N 274.448 4.560 30 10 CJEE CCCCCCCCN(C)c1ccc([C@@H](C)N)c(C)c1 2285135639 TZFRKKGOPDCCIU-MRXNPFEDSA-N 276.468 4.811 30 10 CJEE C#C[C@@]1(N2CCCCCC2)CCCCC12CCCCC2 2285983477 HBJAQROXSKLHPE-LJQANCHMSA-N 273.464 4.759 30 10 CJEE C=CCCCCCCCSc1cccc(=NCCC)[nH]1 2287089940 NEZRLGCXXRFGFP-UHFFFAOYSA-N 292.492 4.944 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(NCC)C(C)C 2287096106 HKLZYJVRLKJMAF-KRWDZBQOSA-N 296.524 4.774 30 10 CJEE CCSc1cccc(N[C@H](C(F)F)[C@H](C)CC)c1C#N 2287200452 MBEYPKOMHGARLI-YGRLFVJLSA-N 298.402 4.762 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@H]1O 2287399208 HGTPCFOGAGXEJT-GVDBMIGSSA-N 288.447 4.785 30 10 CJEE C=CCCCCCCCCN1C[C@H](C)OC(C)(C)[C@@H]1C 2287890919 XVEMBJCWKFPREH-IRXDYDNUSA-N 281.484 4.791 30 10 CJEE C=C[C@H](C)CCN(C)c1ccc([C@H](C)NCC)cc1Cl 2288897347 ZCBYITNAMGMVRR-KBPBESRZSA-N 294.870 4.659 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(C)c(F)c2F)C1 2289643249 SSLUTKVTQYELPQ-SUMWQHHRSA-N 280.358 4.601 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)c1csc(C)c1 2290606536 UMJIPZSDHDEWIP-HNNXBMFYSA-N 298.448 4.949 30 10 CJEE CCCCCCC[C@@](CC)(OCC(=O)O)c1cccs1 2290897969 ZCXHEUFRQUGJOH-MRXNPFEDSA-N 298.448 4.815 30 10 CJEE CCCCCCC[C@](C)(CC1(CC)CC1)OCC(=O)O 2291377100 BNMAPSQBMJZBKQ-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=CCCCC[C@@](C)(OCCC(=O)O)[C@@H](C)CC(C)C 2291483635 CAMYJFOTHVUMIE-DOTOQJQBSA-N 284.440 4.665 30 10 CJEE CCCCCCCC[C@]1(OCC(=O)O)CCC12CCC2 2291560068 WUUXOZSBVQIECG-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1CC=CCC1 2291574048 SOZVPJGPCHHUHC-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@H]1[C@H]2CCC[C@H]21 2292998965 BUIJFHOBOQRHJR-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE Cc1c(C)c(C)c(CC[C@@H]2CCC[C@H]3O[C@H]23)c(C)c1C 2294679346 ZPZSZRBXYUVMOH-QXAKKESOSA-N 272.432 4.729 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C1C2CC3CC(C2)CC1C3 2294901679 BXNCAQWWQMCFRJ-IJNOCJQWSA-N 274.448 4.844 30 10 CJEE O=C(C=C1CCCCC1)c1ccc2cccc(Cl)c2n1 2295022174 SKULEMMAUDJTGP-UHFFFAOYSA-N 285.774 4.961 30 10 CJEE CCCCCOc1ccc(C=CC(=O)c2cccnc2)cc1 2295562511 NPIPDJFWOPTSCI-UHFFFAOYSA-N 295.382 4.547 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnsc1COC 2295580014 HTEHQXQBWGHELB-INIZCTEOSA-N 299.480 4.638 30 10 CJEE CCCCCCS[C@@H]1CC[C@H](C)[C@](C#N)(NC(C)C)C1 2295761967 SESVFJIGWLYNNM-BBWFWOEESA-N 296.524 4.749 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnn(C2CCC2)c1 2296458135 XTEJNRBAANMABP-QGZVFWFLSA-N 277.456 4.749 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)sc1C 2304023383 AUSHEEDSLIKSHY-KGLIPLIRSA-N 271.857 4.963 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(Cl)c(C(F)F)s1 2304581805 DWMKDELJKNUYJS-XVKPBYJWSA-N 279.783 4.812 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1CCC1(F)F 2313776342 SIPSBIDHOUDCGP-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1c(F)ccc(C)c1Cl 2313993985 ONMCOISVVWDJEW-ZWNOBZJWSA-N 269.791 4.650 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H](CC)C(C)(C)C)NC 2316738974 MTEVCHVZGXSHJD-HOTGVXAUSA-N 251.458 4.805 30 10 CJEE CCCCCCCCCNC1C[C@H](C)S[C@@H](C)C1 2317759449 XUASCOIWJRRWHM-GJZGRUSLSA-N 271.514 4.999 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1CC[C@H](CC)CC1 2321142373 VTNMDFDBMUTUEZ-QAETUUGQSA-N 251.458 4.913 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2cc(F)c(Cl)cc2Cl)O1 2325175353 LUPVEXYSRSLLEW-OQPBUACISA-N 288.149 4.656 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@@](C)(CS)C(C)(C)C)C1 2327117107 ZQJBYVSTCRLOOM-YCPHGPKFSA-N 272.498 4.954 30 10 CJEE CCC(=NOC(C)C)c1ccc(-c2ccccc2)cc1 2330258850 MVEWDIVDHLIWDE-UHFFFAOYSA-N 267.372 4.893 30 10 CJEE CCC(=NOCCCc1ccccc1)c1ccc(F)c(C)c1 2330278828 BDBZKFZSGVDIPQ-UHFFFAOYSA-N 299.389 4.898 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)C[C@@H]1C[C@H]1C1CCCCCC1 2332786995 JLMAMRAGXPYIAN-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCC2(CC2)[C@@H]1NCCC 2335103926 SSEJMXOBQFHXOL-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc2c(s1)CCC2 2338737253 BRHRQEAXVINVJB-KRWDZBQOSA-N 275.461 4.656 30 10 CJEE C=CCCCCCCC(=O)c1ncccc1C(C)C 2340342489 ZINBNCZQYORGBW-UHFFFAOYSA-N 259.393 4.914 30 10 CJEE O=CC1(CC[C@@H]2CC[C@@H]2C2CC2)CCC(F)(F)CC1 2342384639 FEFFQYPBYMVYTG-UONOGXRCSA-N 270.363 4.597 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1coc(C(F)(F)F)c1 2344376015 FQWDFPNNYUBAOT-LBPRGKRZSA-N 275.314 4.551 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1CCC[C@H]1C(F)F)NCCC 2344382174 FGPLHIDHOQHGBH-LXTVHRRPSA-N 273.411 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NCC 2344385598 QJJOYHCDARYDFH-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)CCCCC1CCOCC1 2344395833 KOPYRODKGXHXDW-KRWDZBQOSA-N 266.425 4.535 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1C[C@H]2CCC[C@H]1CC2 2344459217 FYHOTVJSFDHIGC-JCECYMMASA-N 264.453 4.946 30 10 CJEE CN(C[C@@H]1C[C@H]1C(C)(C)C)C[C@](C)(CS)C(C)(C)C 2352321638 WDICTRYHFDBBDM-JJRVBVJISA-N 285.541 4.583 30 10 CJEE C#CCCCCCCC(=O)N[C@H](C)c1ccc(Cl)s1 2352954690 VJQOBFDMYFMKNM-GFCCVEGCSA-N 297.851 4.553 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@H](CC)CCC)NC 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C=C(COCCC)[C@@H](NCCC)c1ccc(C)c(Cl)c1 387403039 AZRWLAAGLDABSG-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCCN[C@@H]1C 396718230 SBXRKTXIIVUQPG-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(Cl)cc1)[C@@H]1CC1(C)C 397679907 JZSWFNMBGZFRMD-ZBFHGGJFSA-N 276.811 4.860 30 10 CJEE Cc1cccc(CCC2(C#N)CCC(C(C)C)CC2)n1 399723126 GEWDTYAQDVZTPO-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE N#Cc1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1 514261187 UADSEMFAOCMYRA-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)oc1C 686701004 DQFOEUSZGDCIAJ-KRWDZBQOSA-N 261.409 4.521 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H](CC)CC(F)(F)F 686703832 MCPUKAGCNAEMNP-CABCVRRESA-N 291.401 4.917 30 10 CJEE C=CC[C@@H](CNCC(C)C)CC(C)(C)C(F)(F)CC 691018663 FNLHPXYPKZPLEB-CQSZACIVSA-N 275.427 4.886 30 10 CJEE CCCCCCC[C@@H](NCC)C1CC2(CCC2)C1 691918390 FFBSCGAZVXDSCL-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2(OC)CCCCC2)C1 692826066 BYOAEQICSSJWDR-HZPDHXFCSA-N 263.425 4.836 30 10 CJEE 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CCCC1CCC(C=O)(C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 720811664 UARPRWBMCZYQQT-ONWVLEABSA-N 278.436 4.510 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H](C)O[C@H](C)C1)NCC 724515559 BGIJDYRKIGMNJW-XMTFNYHQSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc3ccccc3o2)CC1 724576120 TXMDAQIQRSUYOX-OAHLLOKOSA-N 255.361 4.569 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCCc3ccccc32)CC1 724577785 SEVPTZZZCKOWQL-MOPGFXCFSA-N 270.416 4.604 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC[C@H]3C[C@@H]32)CC1 724591936 GCXXCWXCZHFFOF-RDGPPVDQSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(CC)o2)CC1 724606555 TZAGEPSZZPTSDY-MRXNPFEDSA-N 261.409 4.629 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H](C)C(C)C)CC1 724620142 ZXMZVYLOEKCDTQ-WBVHZDCISA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC1CCC(C)(C)CC1 821987888 OMGAHPLTWJLYLY-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](c1ccccc1)c1nc(C2CCC2)no1 904870888 JRQKWDBQDUDALV-INIZCTEOSA-N 282.387 4.825 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)Cl 907677497 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CC(C)[C@@H]1CCSC(=NC2CCCCCCCC2)N1 2112404989 BKEPBZCVYZNZRG-HNNXBMFYSA-N 282.497 4.597 30 10 CJEE CCCCCCCCC[C@H](O)CC1(OC)CCCC1 2112594724 AKEKEZASWULQGL-INIZCTEOSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C(C)(C)C)nc1 2113989636 MAWWDJGAMLUOFA-HNNXBMFYSA-N 262.441 4.739 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)Cc1cnc(C2CC2)s1 2117019725 IOJMTAJYKKFCAS-INIZCTEOSA-N 274.433 4.673 30 10 CJEE CC(C)c1ccc([C@H](C#N)[C@@H]2CCCC[C@H]2F)cc1 2118887710 NYXCRSSEMULYDF-YESZJQIVSA-N 259.368 4.945 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@]2(C)C[C@@H]2C(F)(F)F)CC1 2125187669 ROJZSIXGGSBSID-OSMZGAPFSA-N 274.326 4.527 30 10 CJEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)C1CCCCC1 2128012368 JNIOLYKQXCJSLG-SNVBAGLBSA-N 280.774 4.731 30 10 CJEE C=CCCCCC[C@]1(N)c2ccccc2CC1(C)C 2128962175 ZOAXAKWXAJKGJO-SFHVURJKSA-N 257.421 4.559 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CC3(CCCC3)O2)CC1 2133049318 NTCJIKVMYHDXEH-HWOWSKLDSA-N 261.409 4.588 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134329648 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268.470 4.846 30 10 CJEE C=C(C)CCCC[C@H](CCCC(F)F)NCCC 2259211177 LCMYXQLLHXORHZ-CQSZACIVSA-N 261.400 4.927 30 10 CJEE C=C[C@H]1CCCN(CC[C@@H](C)CCCC(C)C)C1 2259679483 UNUYUARHTAYSOX-IRXDYDNUSA-N 251.458 4.737 30 10 CJEE C=CCCC[C@@H](NCCC)c1nccc2sccc12 2268946138 IQLKGOCCBLWMSE-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C#CC[C@H](C[C@@H](N)c1cc(Cl)c(Cl)cc1C)C1CC1 2270965734 QWIKBYCGUJPMDN-MLGOLLRUSA-N 296.241 4.741 30 10 CJEE C=C(C)CCCCN(C)Cc1cccc(C2CC2)c1 2271757036 XHZAYAARAHSPKL-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccc(Cl)cc1)NCC 2271790793 HPJSUSAWENJCCG-QGZVFWFLSA-N 279.855 4.997 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(C)c(C)n1 2271908308 CYMACYWFOHIYDT-KRWDZBQOSA-N 263.425 4.657 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@]12CCCC[C@H]1CC2 2273292840 RUKQWKYAAYURDN-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2 2273420733 JTKPNRYNRCOGSD-BDXSIMOUSA-N 261.453 4.681 30 10 CJEE C[C@](N)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2273992242 OTOURBRULCZHMH-INIZCTEOSA-N 296.241 4.751 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H](C)OC(F)F 2274379110 AEMWCJVHPRTYBW-UONOGXRCSA-N 279.415 4.733 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)CC)OCC(=O)O 2275432056 PRWDFOLJVPOHLE-GDBMZVCRSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1CC)OCCCN 2276689152 XTXULPAWCNMQNJ-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H](C)C(C)(C)C 2276756140 PQBQHYUSZPWJBX-CVEARBPZSA-N 271.489 4.763 30 10 CJEE CCCCCCCC[C@H](CC1(C)CC1)OCCCN 2277321206 YZOBJRAFOFOERA-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCOC[C@@H](NCC)[C@@H]1CC12CCC2 2283691786 VLSXXIOGHLZMBJ-DLBZAZTESA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1c(C)sc(C)c1C 2283757078 INKVEKBAAUUKEZ-KRWDZBQOSA-N 296.476 4.968 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@@H]1C[C@H]1CC 2284071236 QDEPPHINPADIRM-FGTMMUONSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@]12CCCC[C@@H]1CCC2 2284110587 FCWJSKSONZCPMD-APWZRJJASA-N 272.432 4.912 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1c(F)ccc(F)c1Cl 2284110776 FXEVMNQCHBKVPU-CYBMUJFWSA-N 297.776 4.614 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(C)CC2(CC(F)(F)C2)C1 2287416452 ZXNZWIPXNVSFMH-CQSZACIVSA-N 285.422 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ncoc1C(F)F 2287466356 GZGLZECDICJZSJ-LBPRGKRZSA-N 286.366 4.789 30 10 CJEE CC[C@H](C)[C@@H](C(=O)C#CC1CCCC1)c1ccccc1 2289766771 RCPXOIAMEAQWPM-HNAYVOBHSA-N 268.400 4.579 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C[C@@]12CCC[C@@H]1C2 2289785639 HWWXSDSHMSTELT-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CCC(C)(C)C1 2289871394 WDSZIITVEZSHAN-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCNC[C@@H]1CCCCC[C@@H]1CC#CC1CCCC1 2289873556 FCGHUIWWWCBJNC-MOPGFXCFSA-N 275.480 4.766 30 10 CJEE C(#CC1CCCC1)C[C@H]1CCCCC[C@@H]1CNC1CC1 2289873701 FZUIPJLHTJGVRH-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@](C)(CC1CCC1)OCC(=O)O 2291574661 WPQGSKOFWFXRCR-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(C)c(Cl)c1 2292886421 WVHJITHFRRAMBO-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)c2ccc(C)s2)CC1 2292908809 JWNRSNAIESMRSS-MRXNPFEDSA-N 293.476 4.600 30 10 CJEE C=C(C)CC[C@]1(OCCCN)C[C@H](C)CC[C@H]1C(C)C 2294088334 CWSIYGWJMXJQSY-SQNIBIBYSA-N 281.484 4.539 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccc3cccc(Cl)c3n2)C1 2294975770 BVQILPCSGMNTDG-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccn(C(F)(F)F)n1 2295210893 DMNFRNRRUVFEEO-CYBMUJFWSA-N 292.345 4.534 30 10 CJEE O[C@]1(C#Cc2ccccc2Cl)CCCC12CCCCC2 2295239850 MGYGRPNAWCPXTJ-SFHVURJKSA-N 288.818 4.557 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnn(C2CC2)c1 2295578978 MDCYRSMDQOVEMP-QGZVFWFLSA-N 278.440 4.566 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cnn(C(C)C)c1 2295597369 UXAPYRSHHMTAPG-QGZVFWFLSA-N 279.472 4.779 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1[C@H]2[C@H]3[C@H]2C[C@@H]2[C@@H]1[C@@H]32 2295681068 CQSPQTXKEYIEHT-QDITUVQOSA-N 275.480 4.616 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(F)c(C)c1Cl 2301087778 BJHFUONBQZOSLV-LBPRGKRZSA-N 276.182 4.581 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cccc(C(C)C)c1 2303672577 UIDYXUOYOJYJGD-OAHLLOKOSA-N 251.801 4.603 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312923503 IPNFCIGOORLAEL-IKGGRYGDSA-N 251.458 4.715 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)C1(C)CCCCC1 2313524935 QTULRHBPFNDBCS-OAHLLOKOSA-N 267.482 4.538 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCC[C@H]1NCCC 2313531778 NMTRZYMEYISPTA-ARFHVFGLSA-N 269.498 4.775 30 10 CJEE Cc1ccc(F)c(C(=O)C2=CCCCCC2)c1Cl 2313865535 JTJZVWLSERWWJO-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@H](SC)C1 2314258653 HKRCDWLOOZWTPX-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H](CC)CC(C)C 2316751176 AVUKWNLJIHXOAK-DOTOQJQBSA-N 251.458 4.805 30 10 CJEE Cc1c(CC[C@@H]2CCC[C@@H]3O[C@H]23)ccc(Cl)c1Cl 2316832463 LRMMKNVHCQQDQR-CORIIIEPSA-N 285.214 4.802 30 10 CJEE CC(C)[C@@H](C)[C@@H](C)OCC1(CS)CCCCCC1 2317635770 IKVVHRQZDDJSBC-HUUCEWRRSA-N 272.498 4.954 30 10 CJEE C=C([C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C)C(C)(C)C 2320105370 YTAYOXWGPZCOTJ-KKUMJFAQSA-N 251.458 4.639 30 10 CJEE CSc1cc(Nc2ccc(Cl)cc2)ccc1C#N 2328535640 ZTGXZTPLZJEYOB-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329771656 NOUHFZKZSKHARG-TUVASFSCSA-N 274.395 4.779 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc([C@H](C)N)cc1F 2335238495 NMQYATIGCJTRFQ-JTQLQIEISA-N 283.387 4.597 30 10 CJEE C=CCCCCCCCC[C@@]1(C=O)COCC1(C)C 2336150950 NLYLHSIOHYMGOB-QGZVFWFLSA-N 266.425 4.535 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cc(F)ccc1C(F)F 2338286713 HLNMTNSXVVYDKZ-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338683182 ZAJDFRLSTZZGLM-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(Cl)ccc1F 2338737421 DGCUNYCIMUHZEP-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CC(CCC)C1 2338750138 PNSNEPSBKFLDIF-VMWRSERWSA-N 263.469 4.949 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2339081006 FNAUKTZJUYJBLF-LUKYLMHMSA-N 260.421 4.908 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)[C@@H](C)C(C)C 2340130676 AZNREAJGKCSAQQ-ULQDDVLXSA-N 270.505 4.887 30 10 CJEE C=C(CC)C[C@@H](O)[C@H](c1ccccc1)C1CCCC1 2342360377 LVXLTQQVALYHQW-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc2ccccc2o1 2344376968 BWVXKLGQSZBLHV-SJORKVTESA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(C)c(F)c1F 2344383608 JHNXBPOHSQEURY-JKSUJKDBSA-N 267.363 4.526 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CCCC2(CC2)C1 2352166283 OBZYGFQQKFGGGQ-HOCLYGCPSA-N 283.525 4.623 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1C[C@@H]1C1CCCCC1 2353830072 JCTATVVZINSBKX-BHYGNILZSA-N 284.509 4.812 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2C[C@@H]2CO1 2355829287 YKOWJXDMTZJANC-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CC1(C)C[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCCCC2)CO1 2357827373 ZXMJOULKFOJDNT-XYJFISCASA-N 275.436 4.692 30 10 CJEE CCCCC#CC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2358137717 WSLFAYNLAPDJTM-IPMKNSEASA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCC[C@@H]2C[C@H]12 2358323617 RUFSROGFRCNTQC-OWSLCNJRSA-N 278.484 4.561 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359102357 YNTGOYKRNMYKAC-GVDBMIGSSA-N 280.452 4.901 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H](C)CC1CC1 2360334793 VSKBXNWLOUTLEN-YJBOKZPZSA-N 282.468 4.883 30 10 CJEE Cc1ccc(/C=C2/CC[C@@H](C3CCCC3)C2=O)cc1 34882119 SMPHJPBYPSFKHQ-WBILKINKSA-N 254.373 4.548 30 10 CJEE Cc1c(Cl)cccc1Nc1c(C#N)cnc2ccccc12 36913178 ZFQBVVJMEUBKAB-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2)cc1C(F)(F)F 37306378 HYLFEMSGMVPZDG-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE Cc1ccc(N[C@H](C#N)c2c(C)cc(C)cc2C)cc1 37935494 AGUJRTBSNMDZHA-QGZVFWFLSA-N 264.372 4.597 30 10 CJEE CCCCC[C@@H](N[C@@H](CC)CC#N)c1ccccc1 54183716 WXRMRLXRUCNAQD-DLBZAZTESA-N 258.409 4.590 30 10 CJEE Cc1ccc(Oc2nc3c(cc2C#N)CCCC3)c(Cl)c1 54351073 RESLGVRVXQPXBQ-UHFFFAOYSA-N 298.773 4.586 30 10 CJEE Cc1cccc(OCCCC[C@H](C#N)c2ccccc2)c1 57684430 SHRBYWXDWFUGFV-GOSISDBHSA-N 279.383 4.852 30 10 CJEE Cc1cc(C)cc(OCC[C@@](C)(C#N)c2ccccc2)c1 57687630 NMIRVYIFCNAWON-IBGZPJMESA-N 279.383 4.554 30 10 CJEE CCCCCCCCN[C@@H](C)CCc1ccccc1 59055321 MACVRZGLHFIVJC-KRWDZBQOSA-N 261.453 4.958 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OCC)c(OCC)c1 59082408 CEKCJENFCCQHPY-MRXNPFEDSA-N 293.451 4.844 30 10 CJEE CCCCCCCCNc1cnc(-c2ccccc2)nc1 59460207 OPQBRGFBLBBNEW-UHFFFAOYSA-N 283.419 4.916 30 10 CJEE CCc1oc(-c2ccc(O[C@@H](C)CC)cc2)cc1C#N 77077177 SOFHLAPNTORJFG-LBPRGKRZSA-N 269.344 4.558 30 10 CJEE CC(C)Oc1cccc(-c2cc(CC#N)c(C3CC3)o2)c1 77083495 QYJDOPPFUYRPHU-UHFFFAOYSA-N 281.355 4.677 30 10 CJEE CC(C)(C)c1cc(CS)c2cccc(Cl)c2n1 82466995 ROOWPEJQYFZVLI-UHFFFAOYSA-N 265.809 4.616 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(Br)s1 85063549 HRVMGFPJLRJUNP-JTQLQIEISA-N 288.254 4.518 30 10 CJEE C[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccc(C#N)cc1 86900392 RWWLOXYYJIUCAJ-YOEHRIQHSA-N 270.420 4.568 30 10 CJEE SCCCCOc1cc(Cl)c(Cl)cc1Cl 87078888 LFTWZLLLXKTVKK-UHFFFAOYSA-N 285.623 4.736 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC2CCOCC2)CC1 87972106 OWLAUWBFEAABDZ-UHFFFAOYSA-N 263.425 4.549 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCc3ccccc3C2)s1 87998372 WFGVSTLLOQLGQC-GOSISDBHSA-N 281.424 4.552 30 10 CJEE Cc1ccsc1[C@](C)(O)C1(C#N)CCC(C(C)C)CC1 91885108 PHLUMFAMTOIAEE-WIHSUSGWSA-N 291.460 4.620 30 10 CJEE CC1(C)CCCC[C@H]1Nc1cccc(Cl)c1C#N 94326346 SSZXJNDKOPYCHG-CQSZACIVSA-N 262.784 4.592 30 10 CJEE O=C(C1=CCCCCC1)c1cc(C(F)(F)F)ccc1F 94595773 WSOWCLZDXLBJDO-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C=C(CC)C[C@@H](NCC)C1CCC(C(F)(F)F)CC1 97284029 CFSCWUWMRGXBPL-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CCN(CC)CCSCCCCCCCCCS 97800153 PZXYXKFWIADXGL-UHFFFAOYSA-N 291.570 4.722 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccncc1 103930908 GXEDEDYIQCIFTF-KRWDZBQOSA-N 262.441 4.873 30 10 CJEE CCCCCCCn1cc(C#N)c2cc(OCC)ccc21 107038925 MFJRMENVLLXESO-UHFFFAOYSA-N 284.403 4.882 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(C)cc1Br 107497889 QVYHKIHIRDEMMK-QWHCGFSZSA-N 279.221 4.911 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1cccnc1 107681623 WKPCQUAYLCBXIJ-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCC1CCC(Nc2cccc(Cl)c2C#N)CC1 110255667 NDZNHXZZKCBALW-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CCCCCCCCn1cc(C=O)c2ccccc21 112984458 FDGCBXQAIZBWAU-UHFFFAOYSA-N 257.377 4.814 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1C(C)C 114063134 RMGLLZKZLJLBCY-QZTJIDSGSA-N 296.543 4.691 30 10 CJEE CCCCCCCCN1CCCN[C@@H](C2CCCCC2)C1 115264722 XNUIFXGKAZQNAR-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCCN[C@@H](C)CCC[C@@H](C)C(=O)O 116071126 OIMVATCHVZLENJ-CVEARBPZSA-N 285.472 4.606 30 10 CJEE CCCCCCCCCc1nnc([C@H](C)NCCC)s1 116084254 FAGSYRALBPGMDO-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCCCCCC[C@@H](NCC)[C@](C)(CC)N1CCCC1 118161379 NRNREXSWIFCCBF-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(C)c(C)cc1C 123459573 REZOGOUNXWGSEV-GOSISDBHSA-N 276.468 4.867 30 10 CJEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1ccccc1F 127222618 KAFXMMHKNQJQNV-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCNc1ccc(C(=O)O)cc1N 129452914 RUHAIZJNYTWURF-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129932709 HGJXIKNFAUAHOI-WMLDXEAASA-N 277.452 4.674 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)cc1Cl 130903666 URQNDLNLZMAKNH-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@@H](C)NC[C@]1(C)CCCS1 134005831 LTVOQXCZCHRKNU-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCCCCc1nncn1C(C)C 136124623 RCIKNAUPAWHWCW-UHFFFAOYSA-N 265.445 4.932 30 10 CJEE CCCCCCCCCCCCN1C(=O)CC[C@H]1C 139306512 WFUJIEKVPAOBIK-MRXNPFEDSA-N 267.457 4.918 30 10 CJEE Cc1cc(C)cc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164395525 PKEGKDTZNRCFAE-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCCC[C@H]2C(C)C)CC1 214817075 DYDKAEZVYQMTAU-IKJBURDNSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc3c(c2)CCC3)C1 222269874 QSQAQOMUZZEXDI-QBIMZIAESA-N 285.456 4.986 30 10 CJEE N#C[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)C1CCCCC1 227188757 RPPBBWLECWXBRX-IPMKNSEASA-N 282.431 4.590 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 230773880 YREGBXIEWKDLKW-UKRRQHHQSA-N 274.383 4.714 30 10 CJEE CCCCCCCCNC1=N[C@@H]2CCCC[C@@H]2CS1 231344151 PSSGQVFFMILRLS-HUUCEWRRSA-N 282.497 4.598 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1CNC(C)C 232686979 VBTPBGZAJZVNNX-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CCCCCCCCN[C@H]1c2ccccc2OC1(C)C 232940362 OGPJMMFLTSNUDP-KRWDZBQOSA-N 275.436 4.849 30 10 CJEE C=CCCCCC[C@H](NCCC)c1csc(C)n1 233124910 XIAAFGFCMYTRDG-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE CC[C@H](Cc1ccccc1)Nc1ccc(C#N)cc1Cl 234039029 VSBSGSPQHNXKJI-OAHLLOKOSA-N 284.790 4.645 30 10 CJEE C=CCCCCC[C@H](N)c1scc(C)c1Cl 235794619 GSHMDDSKKOGQBS-NSHDSACASA-N 257.830 4.846 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCCC[C@@H]1C(F)(F)F 236142697 LGXBVIZHLWQVLY-OLZOCXBDSA-N 274.326 4.815 30 10 CJEE Cc1nc(C2CCCCC2)sc1[C@@H](C#N)C(C)C 259323401 ONUJLVHYOFUVDP-ZDUSSCGKSA-N 262.422 4.762 30 10 CJEE CSc1cc([C@H](CC#N)C2CC2)c(SC)cc1C 260535442 NOOPQDMYSQNLLC-GFCCVEGCSA-N 277.458 4.846 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CCCC(F)(F)C2)C1 306053242 WUCRUDSLHKZGJR-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE FC(F)C1CCN(CCCCCCCCCS)CC1 307883736 OPPNITRQRQJGPZ-UHFFFAOYSA-N 293.467 4.624 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H](OC)C12CCC2 308332346 FDFLXPHMUWRRAP-FUHWJXTLSA-N 282.468 4.837 30 10 CJEE CCCNC[C@@H]1CCCCC[C@H]1CC#CC(C)(C)C 311335723 KVTRIDVTGDKCGQ-IRXDYDNUSA-N 263.469 4.622 30 10 CJEE C=C([C@H](NCCC)c1cc(Cl)ccc1C)C(F)(F)F 311483452 IHHLEMTUXJOHSQ-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 313372772 QBOHYGFIDLHNES-LBPRGKRZSA-N 295.785 4.728 30 10 CJEE Cc1ccc(C)c(CC2(C=O)CCCCCCC2)c1 316823440 GIUBSKRQKJKKDV-UHFFFAOYSA-N 258.405 4.776 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C=O)CCC[C@@H](CC)C2)C1 317278147 IQWYMWWEWXCOMG-NCOADZHNSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(C)cc(C)c2)C1 317296549 LUJDEXMBSQWWJB-SJLPKXTDSA-N 258.405 4.631 30 10 CJEE CCC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 322381620 LWGZUOZFNVIOAU-QGZVFWFLSA-N 270.420 4.868 30 10 CJEE CCCCCCC[C@H](CC/C=C\c1ccccc1)NN 324288300 OKJANSNJPLKSPW-RXEWJAMOSA-N 274.452 4.672 30 10 CJEE Cc1ccccc1SCCCB1OC(C)(C)C(C)(C)O1 382081200 VYWHYWRHQQNGPG-UHFFFAOYSA-N 292.253 4.569 30 10 CJEE CCCCCCC[C@]1(C)CC[C@@H](CNCC(C)C)O1 382198714 LREDUJZKXLXCPR-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1C[C@H]2CC[C@H]1C2 382228022 GNGNRRAUFAFOTM-YESZJQIVSA-N 283.525 4.767 30 10 CJEE C[C@@H](C[C@]1(C#N)CCc2ccccc21)c1ccccc1 384926596 PUGYDXUADQYWKI-KXBFYZLASA-N 261.368 4.588 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCc2ncc(C)cc2C)C1 401056170 RUUADBWJBDANCS-SJLPKXTDSA-N 270.420 4.741 30 10 CJEE C=CCCc1ccccc1NC(=O)N1[C@H](C)CC[C@H]1CC 505063185 YICSCSASVWTIQB-GDBMZVCRSA-N 286.419 4.600 30 10 CJEE C=C[C@@H](CC(=O)N1CCCCC[C@@H]1CC)c1ccccc1 535396891 PJSSMHPZIKXCSJ-WMZOPIPTSA-N 285.431 4.528 30 10 CJEE C#CCCCCC[C@H](NCCC)c1csc(C)c1 686677284 YXHRCYOGYJYQSG-INIZCTEOSA-N 263.450 4.681 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2cscc2s1 686695584 NEAVXBWPRPIYBI-CYBMUJFWSA-N 277.458 4.807 30 10 CJEE CCCCCCCCNc1cccc2c1OCCC2 689558712 FKNBTOFTFLUDDN-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CC[C@@](C)(Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 691630456 AEVUHZGFBQQGBX-CQSZACIVSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc(COC)c1 693432883 FWDWOLYEUVVMSU-GOSISDBHSA-N 277.452 4.844 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H](C)[C@@H](C)C3)C[C@@H](C1)C2 697294958 FVHOWUNNKXIJGG-SJYHUVSCSA-N 261.453 4.536 30 10 CJEE CC1(C)C[C@@H](SCC2(CS)CCCCCC2)CO1 705496035 WKSLHWFJZDMBCK-CYBMUJFWSA-N 288.522 4.558 30 10 CJEE CCCCCCCN[C@H](CC)c1ccc(F)cc1 705953215 JFJOEEJDTRAHOA-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE CCSC[C@H](C)N(C)CCCCCCCCCS 707157578 XZZSHVGZFJLPLP-HNNXBMFYSA-N 291.570 4.720 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 708029196 RZCXMYZSFOWNSI-AWEZNQCLSA-N 267.294 4.893 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCSC1)NCCC 708739514 WQRUBIJPOCDYFN-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1(OCC)CCCCCC1 710480623 UHKJCRXZQIVCIN-OAHLLOKOSA-N 287.875 4.627 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2cccc(Cl)c2C)C1 710739313 MPDNKRSDLFRTRO-COXVUDFISA-N 293.838 4.556 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@]1(C#N)Nc1ccc(Cl)cc1 713083026 OQBDYLDTUXQISY-WBMJQRKESA-N 276.811 4.860 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cnc2ccsc2c1 715717465 CCQQXRYXAYNTKG-MLGOLLRUSA-N 274.433 4.549 30 10 CJEE C=CC[C@@H](C)c1ccc(Br)c(Cl)c1F 715813737 LLNUOCJKGQNWPD-SSDOTTSWSA-N 277.564 4.921 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@@H]1OC 724120790 HLMWWCUQNGNULV-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H](C)O[C@H](C)C1)NCC 724515558 BGIJDYRKIGMNJW-VSZNYVQBSA-N 283.500 4.919 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@H](N)C(F)F 724749294 SDQBLEAXGGOULP-HNNXBMFYSA-N 291.426 4.849 30 10 CJEE C=CCCC[C@@H](C(=O)Nc1ccccc1F)c1ccccc1 1124319421 CGRRMQJKKYLLKK-MRXNPFEDSA-N 297.373 4.904 30 10 CJEE C=CC(C)(C)CC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 1133482058 AERHAXRGDRGBFC-UHFFFAOYSA-N 299.336 4.863 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)Cc1ccsc1C 1180422596 KVQCRAQRIHDWAL-UHFFFAOYSA-N 297.876 4.960 30 10 CJEE C=C(C)[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccc(F)c(F)c1 1180954519 YGFIPKNRKPGFTK-JLSDUUJJSA-N 291.385 4.750 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(CC(C)C)cc1 1201869592 OPAYEKQRJPLNCC-UHFFFAOYSA-N 288.435 4.751 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@H](CC)[C@@H]1C)c1ccccc1 1269695674 VTAWOGZFWRAOOR-LNLFQRSKSA-N 299.458 4.774 30 10 CJEE CC(C)CN(CCCCC(C)(C)C#N)Cc1ccccc1 1307437716 KNPNCOPTEAKZFI-UHFFFAOYSA-N 286.463 4.865 30 10 CJEE C=CCn1ncc2ccc(NCc3csc(C)c3C)cc21 1308537871 SGSFFUUCZMBWKN-UHFFFAOYSA-N 297.427 4.513 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1CCC(F)(F)F 1347014492 JPGZDVRPNIVHPW-UHFFFAOYSA-N 299.336 4.722 30 10 CJEE C=CCCCC(=O)Nc1cccc(-c2cccs2)c1 1360081345 HYVOHNGDMPLLBH-UHFFFAOYSA-N 271.385 4.710 30 10 CJEE C=CCCCCCCCNC(=O)CC1(C)CCCC1 1460678620 TXTLJHSBBAWIKZ-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(-c2ccccc2)c(C)n1 1460688930 IKIZHQZFKIJBNC-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C#CCC1(C(=O)Nc2ccc(C(F)F)cc2)CCCCC1 1463146629 GLDXETZLMJISRY-UHFFFAOYSA-N 291.341 4.537 30 10 CJEE C=CCC[C@@H](NCc1ccc(F)cc1)c1ccccc1 1473328501 ZIYRWMATQQVWKR-GOSISDBHSA-N 269.363 4.623 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2ccc(Cl)cc2Cl)C1 1473912522 PMFYPBRLQGHCQO-WFASDCNBSA-N 298.257 4.870 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCCC[C@@H]1CC 1474411804 RMUIDRCWEZUVIP-HOTGVXAUSA-N 277.477 4.953 30 10 CJEE C#CCCCCCCN1CCC[C@H]1c1ccc(OCC)cc1 1474415673 BDWMLAALUOEIAR-FQEVSTJZSA-N 299.458 4.806 30 10 CJEE C#Cc1ccc(N[C@@H](C)Cc2ccc(C)cc2)c(Cl)c1 1474731156 DSRKSKAHPOIUBE-AWEZNQCLSA-N 283.802 4.673 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H]1CC[C@H](C)C1)c1ccccc1 1519354312 KIJJCJWVUBYLMV-JZXOWHBKSA-N 285.431 4.636 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc2c(ccn2CCC)c1 1519446417 RMWNIVMFGORABE-SFHVURJKSA-N 284.403 4.592 30 10 CJEE C=CC[C@H]1N(C(=O)C[C@@H](C)CC(C)C)CCCC1(C)C 1519871335 UTVCZQIIOUWURR-JKSUJKDBSA-N 279.468 4.652 30 10 CJEE C=CCCCCNC(=O)c1ccc(C(C)(C)C)c(Cl)c1 1530004801 GTZJUNWNPGTEGS-UHFFFAOYSA-N 293.838 4.724 30 10 CJEE C=CCCC1(CNC(=O)C[C@H]2CCCC[C@H]2C)CCCC1 1532340914 WAKDPYKDDHCDOQ-IAGOWNOFSA-N 291.479 4.846 30 10 CJEE C=CC1(CC(=O)N[C@H](CCC)C2CCC2)CCCCC1 1556980402 CXKANEXLUFFOIO-MRXNPFEDSA-N 277.452 4.598 30 10 CJEE C=CCCCCCN[C@@H](c1cccc(Cl)c1)C(F)F 1560097338 ZXWCKBYOHSHGJM-AWEZNQCLSA-N 287.781 4.982 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(-n2nncc2C)cc1 1560903148 PCAWBKVMHQGYGO-OAHLLOKOSA-N 298.434 4.513 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C2CCCC2)C2CC2)c1 1563364327 XLLBFEDBPQOFJA-UHFFFAOYSA-N 284.403 4.659 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC(C)(CC)CC1 1564883146 BWTHRVNQJRGAGD-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=C(CC)CNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1583839569 GMVVJYWRMQIGRE-MRXNPFEDSA-N 293.838 4.552 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1Cl 1585793552 OALZGXVKTJKDEK-CQSZACIVSA-N 291.822 4.528 30 10 CJEE C=CC[C@H](C(=O)OCc1ccc(CF)cc1)c1ccccc1 1586008018 ZAUBIRVODVCRCR-SFHVURJKSA-N 298.357 4.559 30 10 CJEE C=CC[C@H](C)Sc1nc2cc(F)cc(Cl)c2o1 1613723336 HYVMWCHRSZATDU-ZETCQYMHSA-N 271.744 4.677 30 10 CJEE CSc1ccc(C#Cc2c(F)cccc2Cl)cc1 1614826463 UUTNROSJDQFXIB-UHFFFAOYSA-N 276.763 4.601 30 10 CJEE C=C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 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C=CCCCCCCNCc1ccc2occc2c1 1662427937 WMUIREWFFIBJQM-UHFFFAOYSA-N 257.377 4.659 30 10 CJEE C=CCCCNC(=O)Nc1cccc(C2CCCCC2)c1 1679462620 AYUZQASODKUHHG-UHFFFAOYSA-N 286.419 4.822 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCC[C@H]1C=C 1681687101 WSQFUSVTWCLXOK-QGZVFWFLSA-N 292.467 4.653 30 10 CJEE C[C@H]1C[C@](C#N)(C2CC(c3ccccc3)C2)CCS1 1875851894 FVUMFEWPJKFDEA-YJNKEBTESA-N 271.429 4.606 30 10 CJEE CC#CCCC[C@H](NCCC)c1cc(C(F)F)cs1 1879643197 GHTOHLDALPIDLB-ZDUSSCGKSA-N 285.403 4.920 30 10 CJEE CC(C)[C@](N)(CC#CC1CCCCC1)c1cccs1 1886685339 SOHZZNNPCSRFQG-QGZVFWFLSA-N 275.461 4.532 30 10 CJEE CCCCCCCCN(C)[C@@](CC)(CN)CCCC 1887150536 STXHCXLKQKJVAO-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H]1CC[C@H](CC)C1 1888688182 DUXPDGSPIXSBCV-SZMVWBNQSA-N 257.421 4.504 30 10 CJEE Cc1c(CC2(C#N)CCC2)ccc(Cl)c1Cl 1901049395 KAMBNELBVDIFNY-UHFFFAOYSA-N 254.160 4.538 30 10 CJEE C=CCCCCCCOCC[C@H](C)NCc1ccccc1 1906545565 ORDLJXISHSYSPD-SFHVURJKSA-N 289.463 4.708 30 10 CJEE CCCCCCCCCCCCOCC[C@@H](C)NC 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C=CCC(CC=C)N(C)Cc1cc2cscc2s1 2316728733 ICRMHXIMAZNZPB-UHFFFAOYSA-N 277.458 4.915 30 10 CJEE CCC[C@H](OC[C@H](CS)CCC)c1ccccc1 2318158037 XBFQHNUPEARSNS-ZBFHGGJFSA-N 266.450 4.891 30 10 CJEE C=CCCCCC[C@H](CCC[C@@H]1C[C@H]1C)NCC 2318928915 FPKPHYIMAOVWGR-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCCCC[C@@H]1C[C@@H]1C 2321235615 YETBRRPVOXEAGA-HZMVEIRTSA-N 252.442 4.946 30 10 CJEE CCCCOc1cccc(C=NNc2ccc(C)cc2)c1 2322930378 QUPSIAOIHSHNER-UHFFFAOYSA-N 282.387 4.620 30 10 CJEE C=C1CC([C@H](NCC)c2c(Cl)cc(C)cc2Cl)C1 2327717202 LOKSYKDIPQSGHH-HNNXBMFYSA-N 284.230 4.919 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CC[C@@H]2[C@H]1C2(F)F 2333876220 AVWZWBCWAJNKSF-RBSFLKMASA-N 272.379 4.699 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@H](C)NC)c(Cl)c1 2335109785 WIVFMCXZMHKWQD-LBPRGKRZSA-N 279.811 4.520 30 10 CJEE CCCCCCCCOc1ccc(C)c(Cl)c1CO 2335414530 CEZUOCSGUUGDAL-UHFFFAOYSA-N 284.827 4.880 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1c(F)ccc(C)c1Cl 2338737834 HHTUHSKWZUXWGA-INIZCTEOSA-N 281.802 4.816 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@]12CCCC[C@@H]1CCC2 2338743284 DJVGOZFHDQDJSM-FGTMMUONSA-N 261.453 4.703 30 10 CJEE Cc1c(COc2ccccc2C#N)ccc(Cl)c1Cl 2338852334 NFTSSOFDYIEANJ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCC 2339085195 CFFXQQOBSLDDQW-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 2341217779 ABKSRUPUDNYVNS-DOMZBBRYSA-N 297.229 4.555 30 10 CJEE C=CCCCCCCCC[C@H](N)CCCCCOC 2341329873 SXVVLXATTWKCIA-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NCC 2341924599 VZCVRIPONQQZFB-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE CC(C)C(F)(F)C(=O)CCCCC(F)(F)C(F)(F)F 2342331399 RHQGILIGUNSSDN-UHFFFAOYSA-N 296.226 4.605 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)ccc1C 2344341430 BSDPLSJOIGTUID-ROUUACIJSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C)CC2(CCC2)C1)NC 2344348776 NPHATLKPFRGPFC-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc2cccc(C)c2o1 2344459068 DUTGYWIOEUWYMZ-IRXDYDNUSA-N 258.361 4.767 30 10 CJEE C=C1CC([C@H](CC[C@H]2CCC(C)(C)C2)NCCC)C1 2344894942 PCRVGEMCOYWNBV-RDJZCZTQSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@]2(C)N 2353010089 SDHXJGURPZQESE-LTIDMASMSA-N 269.448 4.983 30 10 CJEE CCCC#CCC(=O)C1CCC(CC(F)(F)F)CC1 2353597018 ZSENQNYOHSUMJG-UHFFFAOYSA-N 274.326 4.508 30 10 CJEE C=C([C@@H](NCC)c1ccc(F)cc1SC)C(C)(C)C 2353844517 HHBITNMKEGEUBX-OAHLLOKOSA-N 281.440 4.801 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@H]1CC)NC 2358947848 JHGLZRKRCHGBNO-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Nc1ncccc1[C@H](F)C(F)(F)F 2360204998 INGFIDHHDIUGLI-LBPRGKRZSA-N 288.288 4.587 30 10 CJEE C=CCC(CC=C)S[C@@H](C)C(=O)c1ccc(F)c(F)c1 2360375110 NLCDQZHRNUULQX-NSHDSACASA-N 296.382 4.790 30 10 CJEE CC(C)C1=CC[C@@H](C)/C(=C/c2ccc(Cl)cc2)C1=O 261826 YIEGUGCWMTVPJI-YUSFRKCESA-N 274.791 4.915 30 10 CJEE CCn1c(C2CCCCC2)c(C#N)c2ccccc21 11805040 OCOBHAMQSRLXGA-UHFFFAOYSA-N 252.361 4.581 30 10 CJEE CCCC[C@H](CC)COc1c(C#N)cnc2ccccc12 36913450 PXFBHVMGBXOKMY-AWEZNQCLSA-N 282.387 4.702 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2C(F)(F)F)o1 36973730 DSXIHRHDOFFHAO-SNVBAGLBSA-N 294.276 4.652 30 10 CJEE C[C@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334038 NZHLGTSUAHBVDF-GXFFZTMASA-N 283.293 4.535 30 10 CJEE Cc1cccc(SCCCC[C@](C)(C#N)NC(C)C)c1 45366546 PPVOLZGDCCEDJH-QGZVFWFLSA-N 290.476 4.538 30 10 CJEE C[C@](C#N)(CCOc1ccccc1Cl)c1ccccc1 57687645 LJHJNJZZXKNZGT-QGZVFWFLSA-N 285.774 4.590 30 10 CJEE N#Cc1cc(Nc2cc(Cl)ccc2F)nc2ccccc12 68772239 SGGGJODHRVPFPS-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C=CCCC[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 71277193 VYZSRDLZKPRIFD-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE CSc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1 77080057 OLAUIAFMTLXUEC-UHFFFAOYSA-N 271.385 4.858 30 10 CJEE CCCOc1cccc(-c2cc(C#N)c(C(C)(C)C)o2)c1 77085158 JNNRVAWRRBNTCN-UHFFFAOYSA-N 283.371 4.905 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C)s2)cc1Cl 77094217 CMUFDRUOVJYYOJ-UHFFFAOYSA-N 261.777 4.751 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)CC1 86949167 QDDNZFUOJVWYNE-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE CCc1ccc(OCCC(C)(C)C#N)c(C(C)(C)C)c1 87595900 SCGGFBWZVJYEMP-UHFFFAOYSA-N 273.420 4.865 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(F)cc2Cl)C1 87930400 FSALZKFZQIMPFJ-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCC[C@@](O)(c1ccccc1)C1(C#N)CCCCCC1 91878250 FXBDRIDEJZWFNZ-GOSISDBHSA-N 271.404 4.538 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ncccc1C 103940774 UXDPSEJINDMCFX-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE Cc1ccc(C)c(Nc2ccc(Cl)cc2C#N)c1 103995544 MBEIDADJEKRCJI-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCO[C@@H](c1cccc(F)c1)[C@@H](N)CC 109987380 QPEUTXNASGRHDY-IRXDYDNUSA-N 281.415 4.591 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](C=O)C1 110258014 WSTIYJYIJOPNFW-SFHVURJKSA-N 281.484 4.818 30 10 CJEE CCCCCCC[C@@H](CN)N1CCC[C@H](C(C)(C)C)CC1 112757279 SOCUBDVNMYRUGY-ROUUACIJSA-N 296.543 4.822 30 10 CJEE CCCCCCCCC(=O)Cc1cccc(OC)c1 112883736 GJFNBJPASCFPDJ-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CCCCCCCc1noc(N)c1-c1cccc(C)c1 113098485 AZEHZGBGUYDOLD-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE CCCCCCCCCCCCC(=O)COCC 115249173 OLKLSIUUOPNVDN-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCCCN1CCCC(=O)c2ccccc21 123178767 RIAPZKZQBAOIDZ-UHFFFAOYSA-N 273.420 4.830 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)CC1 126272860 WTPJUSONXHIXCF-CJNGLKHVSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1N 126561682 IHSUSQMMPDDANA-MRXNPFEDSA-N 297.874 4.567 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1Cc2ccccc2O1 126644322 XYTISVWBASRZOS-IEBWSBKVSA-N 289.463 4.719 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)Nc2ccccc2F)CC1 130051069 IFOUPMCIZGVHJE-KVULBXGLSA-N 288.410 4.982 30 10 CJEE CCCCCCC[C@@H](N)c1cc2cccc(F)c2o1 130173019 PUJUJRCEHKDNCS-CQSZACIVSA-N 263.356 4.932 30 10 CJEE CCCCCCCCCC[C@H](NC)C(C)(C)OCC 132362923 IZXSKYYPBNKPSK-INIZCTEOSA-N 271.489 4.920 30 10 CJEE C=C[C@](C)(CNCCC)Cc1ccc(Cl)c(Cl)c1 158773977 YKULNMPOXDQEDI-HNNXBMFYSA-N 286.246 4.728 30 10 CJEE CCCCCCCCNCc1c(Cl)c(CC)nn1CC 159250644 DKRGCKKEQVKFLG-UHFFFAOYSA-N 299.890 4.569 30 10 CJEE C=CCC[C@@H](NCCC)c1csc(Br)c1 163405683 XYBKLWSEYXHZJY-LLVKDONJSA-N 288.254 4.518 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(Cl)c(C)c1 167788768 XJRBZSJVNKAZJB-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)Cc1ccccc1 219675640 SCVKMUCPJCLVQE-IBGZPJMESA-N 290.495 4.586 30 10 CJEE Cc1cccc(C#N)c1Sc1cccc(Cl)c1 221499576 SKQCMSAIDGYRHA-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Cl)c2cccnc12 228824220 RQUXSQVMIOERJZ-NSHDSACASA-N 260.768 4.655 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccc(F)c(Cl)c1 231055503 PYTGMGNUDYDRGL-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)CC[C@@H]2O 232418917 OKEMNHHHVIHRJY-SFHVURJKSA-N 276.420 4.796 30 10 CJEE CC1(C(=O)[C@H](C#N)c2cccc(Cl)c2F)CCCCC1 232829761 ORLRDUCGPACQRU-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(C#N)c2ccccc12 232867852 DRCGJSXZUDSFFQ-CYBMUJFWSA-N 266.388 4.948 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1[C@H](C)O 235554306 KKZMPRMEISBGQD-LBPRGKRZSA-N 268.784 4.519 30 10 CJEE CC1=C[C@@H](C)C[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 235715404 YAHOENZDQHHZFD-DGCLKSJQSA-N 274.795 4.616 30 10 CJEE CC(C)C(C#N)(c1cccc2ccccc12)C(C)C 248244476 GIGIMQJHWAVROV-UHFFFAOYSA-N 251.373 4.913 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 249798445 MIVWKQNHLBQNTG-VSZNYVQBSA-N 278.484 4.996 30 10 CJEE C[C@@H](CCS)CCN(C)[C@H](C)c1ccccc1Cl 251186641 IHKCKTJIKNYFMR-CHWSQXEVSA-N 285.884 4.679 30 10 CJEE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1CCC2=NN 254498709 OTWRKZRQJVDSJI-BBNZPBLFSA-N 288.479 4.734 30 10 CJEE CC(C)(Nc1cccc(Cl)c1C#N)c1ccccc1 311510876 BSGGIEDQOXTOMX-UHFFFAOYSA-N 270.763 4.559 30 10 CJEE CC(C)(C)C1CCC([C@@H]2CCC[C@H](CC#N)O2)CC1 312036757 UBMQGRGPBHJAPE-FJBKBRRZSA-N 263.425 4.690 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1F 312289508 QYIIVUBHACBSNF-MRXNPFEDSA-N 295.829 4.959 30 10 CJEE C=CCCCCCCN[C@H](CC)c1ccc(OC)cc1 312377881 DNEUCKYRMUOGDL-GOSISDBHSA-N 275.436 4.872 30 10 CJEE N#C[C@]1(NC2CCCCCC2)CCCCC12CCCC2 312512386 GZTHJTLTWMYKTH-GOSISDBHSA-N 274.452 4.696 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc3ccccc3n2)C1 312712117 GCLZXPZZFCIXQB-XNRPHZJLSA-N 282.412 4.655 30 10 CJEE CCNCC1(CC#CC(C)(C)C)CCC(C(C)C)CC1 318082001 LHSLMDAJIJUHGZ-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE CCCCCCCCOc1cccc(CN)c1Cl 328253731 TVNUYQBLWSPKGL-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE C=CCC(C)(C)CNCc1cccc(Cl)c1Cl 383585914 GODLCCVKYFQPBH-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)c(F)c1 387498066 XHMWFHRECOFBOA-CYBMUJFWSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2cc(F)c(Cl)cc21 393787253 PPVVFCHHRQAIQO-QMMMGPOBSA-N 284.787 4.645 30 10 CJEE CC(C)CCC[C@H](C)NC[C@H](C#N)C1CCCCC1 397285705 JUCOUQNPDNOIPV-RDJZCZTQSA-N 264.457 4.511 30 10 CJEE CCC[C@@](C#N)(Nc1cccc(C)c1)[C@@H]1CC1(C)C 397683293 KVSFVEKPXUAKDR-WBVHZDCISA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(F)c1C 398934311 POMAJQUUMSVCCX-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@@H]1CCOC1 401356141 GRTYRKKVDRIGMJ-SJORKVTESA-N 269.473 4.661 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404237755 AVDUKESWUAHFCZ-WRWORJQWSA-N 289.593 4.751 30 10 CJEE C=CCC[C@@](C)(O)c1cc(C(F)(F)F)ccc1Cl 406085351 VWGBOCAOLHOGOR-GFCCVEGCSA-N 278.701 4.533 30 10 CJEE C=C(C)CCSCc1csc(-c2ccoc2)n1 507131345 HQIDEICBBNBHJC-UHFFFAOYSA-N 265.403 4.603 30 10 CJEE C=CCC1(C(=O)Nc2cc(C(F)F)ccc2F)CCCC1 650586877 MSOIKCISMXEZCF-UHFFFAOYSA-N 297.320 4.838 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(C(C)(C)C)cc1 686699205 AVKJVGXPIFUPLL-QGZVFWFLSA-N 257.421 4.568 30 10 CJEE C[C@@H]1CC(=O)C=C(CC2(c3ccccc3)CCCC2)C1 686733487 JKZGXVIQPIXZPA-HNNXBMFYSA-N 268.400 4.814 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC(C)(C)c2ccccc2)C1 686734702 GBAALSRZTBSKAB-MAUKXSAKSA-N 258.405 4.750 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCOC1)NCCC 689585529 XEJKFGWFJAWVCJ-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncnc2c(C)csc12 692249966 BGVVBELMOWABOX-OLZOCXBDSA-N 287.432 4.547 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C)cc1C 692271241 GYBWPTPAQAEASU-FUHWJXTLSA-N 257.421 4.528 30 10 CJEE COC1(CC2(C#N)CCC(C(C)C)CC2)CCCC1 692837613 DTJIHSULPJCQMN-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1cccc(Cl)c1 695890425 HNQCFAGXPZNGCN-SNVBAGLBSA-N 253.798 4.760 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@H](C)CN 696685186 YFTZCAMONCRKEX-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC(CO)(CO)C1CCCCC1 696857521 SQQCPEQJSUCHOS-UHFFFAOYSA-N 284.484 4.678 30 10 CJEE CC1(C)CCC[C@@H](N[C@@H](CC#N)c2ccccc2)CC1 697596274 SVIDRXYWICXZOJ-SJORKVTESA-N 270.420 4.590 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CC12CC2 698141829 YEMVIRIPSHLOOP-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=CCCC(C)(C)CNC1CCC(C(F)(F)F)CC1 704048028 TWFZGHVAYSRASS-UHFFFAOYSA-N 277.374 4.690 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)nc(C(C)(C)C)n1 709459313 WIPFUZBAODGNJU-UHFFFAOYSA-N 295.858 4.832 30 10 CJEE CCCCCCCCCC[C@]1(O)COC[C@H]1CCC 710889133 IHRFLGNVEWCIMP-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)[C@H]1CCCCO1 711852766 UQOVPVKAWIUIIT-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2CCCC[C@H]21 712528397 UBBZVXZDVNMECC-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC(=NO)C1 712759208 RJHMCJFXNLCAGK-INIZCTEOSA-N 269.429 4.917 30 10 CJEE C=CC[C@@H](C)[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 715010570 OZKDNKYDHUQQDZ-FZKQIMNGSA-N 274.448 4.717 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)Nc1cccc(F)c1 720348491 AEGJXNQNQJZLTL-QGZVFWFLSA-N 274.383 4.880 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(F)c2Cl)CC1 724548953 JDSCVEIWMQZFLJ-AWEZNQCLSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C(C)C)CC[C@H]2O)CC1 724595125 MMHVTIKQEVKTLQ-GVDBMIGSSA-N 250.426 4.556 30 10 CJEE Cc1c(CC#N)ccc2c(SC(F)(F)F)csc12 725314500 PZWFVHNXUXNXDI-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE Fc1cc(Cl)ccc1C#Cc1ccccc1Cl 725402541 GTIARJOFBMHNRY-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE CC(=NNc1cccc(Cl)c1C)c1sccc1C 733747165 KSBNWWWSOXUCPP-UHFFFAOYSA-N 278.808 4.854 30 10 CJEE CCc1ccc(/C(=N/OCc2cccc(F)c2)C2CC2)cc1 821226230 DJVNLHXMRKWVLQ-VZCXRCSSSA-N 297.373 4.719 30 10 CJEE CC(C)(C)c1ccc(C=Nc2ccc(F)cc2)cc1 1083950982 SQZBNPSEKQVQCS-UHFFFAOYSA-N 255.336 4.874 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(CC)cc1)c1ccccc1 1124234256 XUQIWPOOLIQYLE-LJQANCHMSA-N 294.394 4.904 30 10 CJEE C=C(C)CCC(=O)N(c1ccccc1)C1CCCCC1 1125384091 JCWRYIHLQXSHPG-UHFFFAOYSA-N 271.404 4.709 30 10 CJEE C=C(C)c1cccc(Nc2ccnc(C(C)(C)C)n2)c1 1164310233 JBLVEWSTSPWEJE-UHFFFAOYSA-N 267.376 4.551 30 10 CJEE C=CCC[C@H](C)NCc1cc(C)n(-c2ccccc2)c1C 1183279180 AWABORWGKDTYQC-HNNXBMFYSA-N 282.431 4.538 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(C)c(C)c1 1197793879 HPFDHYKMEURUON-UHFFFAOYSA-N 274.408 4.561 30 10 CJEE C=CCCCCCN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 1198174376 RLCKAZMDNUFSFH-ZIFCJYIRSA-N 287.447 4.583 30 10 CJEE C#Cc1ccc(CNC2CCC3(CCCCC3)CC2)cc1 1202019071 YVUFWABWPJJLBC-UHFFFAOYSA-N 281.443 4.651 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc(F)cc2Cl)C1 1205981083 WJZBBVXGJYLJOR-DYEKYZERSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@@H](CC)c1ccccc1 1206262676 BERPPMSXEWQMHB-CTNGQTDRSA-N 293.454 4.957 30 10 CJEE N#CCc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccn1 1243114763 MUGZAUCYHPZRJU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCCC(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 1264998667 VBFWROVJRGPCKW-IBGZPJMESA-N 299.458 4.816 30 10 CJEE C#CC[C@H]1CCN(C(=O)C[C@@H](C)CCCCCCCC)C1 1280468102 PJUIACWEWSFSIV-ROUUACIJSA-N 291.479 4.635 30 10 CJEE C=C[C@@H](C(=O)N(CC)c1ccc(CC)cc1)c1ccccc1 1290703800 FOUJTDARSXMFPA-LJQANCHMSA-N 293.410 4.572 30 10 CJEE C=CCCC[C@H](N[C@H]1CCCSCC1)c1ccccc1 1308919141 VBYQAZIXZSGVKP-ROUUACIJSA-N 289.488 4.959 30 10 CJEE C#Cc1cccc(N(CCCC=C)Cc2ccccc2)c1 1459802173 UWOGEWHVRGJFBU-UHFFFAOYSA-N 275.395 4.641 30 10 CJEE C=CC[C@H]1CC[C@H](NC2CCC(C3CCC3)CC2)C1 1474215250 QYDKRGQUGTYMLJ-KUQKPQIMSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCCN([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 1474618757 BCYNXFBOXXOKTR-RLLQIKCJSA-N 283.459 4.785 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]1CCC(C)C 1478295700 YTTOYFHUDJDRDI-IAGOWNOFSA-N 294.483 4.732 30 10 CJEE C=CCCC(=O)O[C@@H](C)c1sc2ccccc2c1C 1518097993 NPEZRDKJMFZLSN-LBPRGKRZSA-N 274.385 4.780 30 10 CJEE C=CCC1(CNC(=O)C2CCCCCCC2)CCCC1 1521323735 NURGNBYWYWKNDV-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCC[C@H](C(=O)NCC1(CC)CCCC1)c1ccccc1 1535357569 LLBVNXXGTAGVAC-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1535627480 SJNLBGNFYXFWIH-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C(/C)c1cccc(Cl)c1 1540150271 ZYCKPKKUNRIEFF-QBFSEMIESA-N 291.822 4.604 30 10 CJEE CC#CCCSc1ccc(Br)c(Cl)c1 1559416097 VOPOXWKQUBVZRC-UHFFFAOYSA-N 289.625 4.608 30 10 CJEE C=CC(C)(C)NC(=O)N[C@@H](CC)c1cccc2ccccc12 1565364907 ZDHVHLICIZGQFC-KRWDZBQOSA-N 296.414 4.555 30 10 CJEE C=C[C@H](CC(=O)OCc1ccc(C)c(F)c1)c1ccccc1 1584324688 HBHDPMQWVDLMGG-MRXNPFEDSA-N 298.357 4.537 30 10 CJEE C=CC1(CC(=O)N(c2ccccc2)[C@H]2C[C@@H]2C)CCCCC1 1597127604 QPBBRCNYNGXYRS-WMZOPIPTSA-N 297.442 4.955 30 10 CJEE C=CCC[C@H](NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccccc1 1616737995 IWXJUXRMUDZPIR-ORQFMDKSSA-N 291.385 4.575 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1 1617653132 LLTABEIIFVATEU-MSOLQXFVSA-N 297.442 4.575 30 10 CJEE C=C(C)CCN1CCCCC[C@@H]1/C=C\c1ccccc1 1644936470 DQNKSRMPNREXGC-SYGIOELKSA-N 269.432 4.911 30 10 CJEE CCCCCCCCCCN1CCO[C@H](C(C)(C)C)C1 1645479865 GKOBKTABERUQPF-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE C=CCCCCCN(C)C[C@H](CC)c1ccccc1 1651932581 SHQUGBMJFLFCJR-KRWDZBQOSA-N 259.437 4.858 30 10 CJEE C=CCCCCCN1Cc2ccccc2C2(CCC2)C1 1653567794 KBPCAYJNKCDQML-UHFFFAOYSA-N 269.432 4.670 30 10 CJEE C=C(CC)COc1cc(Cl)c(Cl)cc1Cl 1656038240 UFKXRAPZPAMEAA-UHFFFAOYSA-N 265.567 4.992 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@H](OCCC(C)C)CC2)C1 1656656034 IAGDXEAVZPRJIP-AKHDSKFASA-N 293.495 4.695 30 10 CJEE C=CCCCCCCNCc1nc2ccccc2n1C(C)C 1657341241 DNXJGNHCVDBUGD-UHFFFAOYSA-N 299.462 4.843 30 10 CJEE C#C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1 1659354792 BPKFUNRBRIAHPN-CVEARBPZSA-N 275.823 4.573 30 10 CJEE C=CCCC1(CN[C@H]2CC[C@@H]2C2CCC2)CCCC1 1659649125 DCVNYYUBUDUQOI-SJORKVTESA-N 261.453 4.681 30 10 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4.761 30 10 CJEE CCCCCCC[C@](C)(N)c1cnc(C2CC2)s1 1919492424 MIKLRRIHDYFLQN-HNNXBMFYSA-N 266.454 4.555 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(F)c(F)cc1F 1919913663 QBYAZAAKARJTCK-HNNXBMFYSA-N 274.326 4.672 30 10 CJEE CCCCCCCCCC[C@@](C)(O)c1ccncc1 1919996213 ULSODMXSSFZHKY-QGZVFWFLSA-N 263.425 4.820 30 10 CJEE CCCCCCC[C@H](NC)[C@](C)(O)CCCCCC 1920571332 JCBDSOFIDUYKMW-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCC[C@](C)(O)C1(C#N)CCC(C)(C)CC1 1921120903 SXFDZUVVBXVQJC-INIZCTEOSA-N 265.441 4.818 30 10 CJEE C=C(COCc1ccccc1)[C@H](O)C[C@@H](C)CC(C)(C)C 1922057138 INUVOPNROHPSOT-CRAIPNDOSA-N 290.447 4.583 30 10 CJEE C=C([C@@H](NCC)[C@H]1CCCc2ccccc21)[Si](C)(C)C 1922986904 IAJYTGVENCLVLE-ZWKOTPCHSA-N 287.523 4.518 30 10 CJEE CCCCCCCNc1cscc1Br 1926877893 PNKQAHXFJDGRGU-UHFFFAOYSA-N 276.243 4.893 30 10 CJEE CCC[C@@H](CS)CN(Cc1ccccc1)CC(C)(C)C 1932039455 VXMMAJYRSSRHOX-QGZVFWFLSA-N 293.520 4.881 30 10 CJEE CC(C)(C)CN(Cc1ccccc1)c1ccc(C#N)cc1 1932043930 RERBALYTZBEYAN-UHFFFAOYSA-N 278.399 4.611 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cscc1CC 1948003621 GTVWGKLQQISGCV-WFASDCNBSA-N 251.439 4.563 30 10 CJEE CCN[C@@H](CC#CC1CC1)c1cc(Cl)c(Cl)s1 1950229030 YSULORVOMOFNCH-NSHDSACASA-N 288.243 4.509 30 10 CJEE C#CCCCCN(Cc1ccccc1)C1CCCCC1 1954136508 ZWWGDCUMCOQDIP-UHFFFAOYSA-N 269.432 4.625 30 10 CJEE C(#CC1CCCCC1)CN(Cc1ccccc1)C1CCC1 1957440253 GYHHBYPTIQVWHD-UHFFFAOYSA-N 281.443 4.625 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1nc2ccccc2s1 1964130200 QIYFQQAMWLBZQL-STQMWFEESA-N 274.433 4.692 30 10 CJEE C=CCC[C@@H](C)CC(=O)c1ccc(Br)cc1 1980685145 OFWKIXWZPIALEQ-LLVKDONJSA-N 281.193 4.624 30 10 CJEE C=CCCCCCCCCC(=O)C(F)(F)Cl 1995327465 IHKKFTSAXYCWSW-UHFFFAOYSA-N 252.732 4.694 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(N)c1ccc(Cl)cc1Cl 1996482455 VKGLGMCWEZDAKX-QMTHXVAHSA-N 272.219 4.770 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccsc1Cl 2000523243 NDMIUYMVYCKOAV-AAEUAGOBSA-N 271.813 4.545 30 10 CJEE C=CCCCCCC[C@H](O)c1ccc(Cl)cc1 2003676482 RJMALGRHNNCBMI-HNNXBMFYSA-N 252.785 4.900 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(C)c(Br)o2)CC1 2010766200 VOOFCKDQURKJIL-JTQLQIEISA-N 297.192 4.670 30 10 CJEE CCCC[C@@H](CC)N(C)CC(CC)(CC)CS 2018183980 DGRSTNOAJIANPZ-CQSZACIVSA-N 259.503 4.623 30 10 CJEE CCCP(=O)(CCC)[C@H]1CCCCC[C@@H]1C#N 2018890384 NIAMWMJYCYKIRQ-KGLIPLIRSA-N 255.342 4.642 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(C)c1Cl 2024390295 DRKFWHSPERUFDH-BXUZGUMPSA-N 251.801 4.511 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(SC)s1 2026012184 KNCNJPDURCFESS-LBPRGKRZSA-N 269.479 4.996 30 10 CJEE C=CCCCCCCCCC[C@@H]1CSCC1=O 2026314779 VTXPDGKIXPKSJK-CQSZACIVSA-N 254.439 4.615 30 10 CJEE C=C(C(C)(C)C)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 2035419192 NSIKPVJCPQXYKO-PBHICJAKSA-N 252.442 4.946 30 10 CJEE CCC[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 2035428591 GMMDHWPSSSQYIS-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@@H](O)C1CC(C(F)(F)F)C1 2036972876 CHOHZSDFDOMRHW-WXRRBKDZSA-N 266.347 4.686 30 10 CJEE C=CCC[C@H](C)[C@@]1(CNCCC)CCCC[C@@H]1C 2040530388 QNJCPTKTGXAGHH-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE C=CCC[C@H](C)[C@@H]1CCCCC[C@H]1CNC(C)C 2040532395 DVLRTCRYSSKPSS-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE C=CCSc1ccccc1NCc1cc(C)cs1 2040769837 WUIUGHLEOKKINN-UHFFFAOYSA-N 275.442 4.947 30 10 CJEE CCCCCCCCCN[C@]1(C)C[C@@H]1C(F)(F)F 2040788736 PRDQGVZNKZTKLL-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE N#CC1(Cc2cc(C(F)(F)F)cs2)CCCCC1 2043045906 DWCUWMXONPKPNM-UHFFFAOYSA-N 273.323 4.783 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(C)sc1C 2045992514 LQNNYOUZTMPHPX-GJZGRUSLSA-N 265.422 4.509 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C1CC(C(C)(C)C)C1 2048640362 NTVIVJQCIRQMCG-MQBCKMQZSA-N 251.458 4.639 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C=O)CCCC(C)(C)C2)C1 2049500221 BBEDRTDQTVBPNP-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)c2cscc2Cl)C1 2049514002 DZSBTBGJIIXZSR-OCCSQVGLSA-N 283.824 4.545 30 10 CJEE CCCCCCCCCO[C@@H](CN)CC(C)(C)C 2056065418 ACWHMMCJRGEAES-OAHLLOKOSA-N 257.462 4.517 30 10 CJEE Cc1cc(Cl)cc(C(=O)C2=CCC(C)(C)CC2)c1 2061193449 YUINFUPPGRUAFW-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CCCCCC(C)C)C1 2062729427 BXSKWKSUJXGBIR-HOTGVXAUSA-N 251.414 4.692 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@]2(C)C[C@@H]12 2065656670 IIXPJTXCUHCNFJ-BBWFWOEESA-N 251.458 4.905 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1(C(C)(C)C)CCC1 2071928846 QVAUCLHPISJUCN-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CC#CCCC[C@H](NCC)[C@H](CCC)CC(C)C 2073672416 SHXASSWNDVSIJH-SJORKVTESA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@]1(C)CCCN1 2076985906 DDXQAWWDLBIUAB-CVEARBPZSA-N 257.437 4.997 30 10 CJEE C=CCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2080503460 RCVYORAMKWDEMM-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE C=C[C@@](C)(CCCCC(C)(F)F)CNCC(C)C 2081728212 KIRGYAWLYVMEIW-AWEZNQCLSA-N 261.400 4.640 30 10 CJEE CCCCCC#CC[C@@H](O)c1cccc(Cl)c1C 2083393874 TZSYRSRPZUHLKM-MRXNPFEDSA-N 264.796 4.656 30 10 CJEE CCCCCC#CC[C@](C)(N)C(C(C)C)C(C)C 2083452546 JCAVXXBMZRXFIG-KRWDZBQOSA-N 251.458 4.606 30 10 CJEE CCCCCC#CCC(=O)c1cc(F)cc(Cl)c1 2083493339 DIVDENAFLZPLJE-UHFFFAOYSA-N 266.743 4.636 30 10 CJEE 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268.441 4.804 30 10 CJEE O=C[C@]1(C[C@]23CCCC[C@@H]2CC3)CCCCC12CC2 2273406463 XJIXDKYOQVJXRE-JFIYKMOQSA-N 260.421 4.886 30 10 CJEE C[C@H]1C[C@](C=O)(CC2CC(CC(C)(C)C)C2)CCS1 2274150023 GPJQRPHCOCESBP-GIOUXUJVSA-N 282.493 4.940 30 10 CJEE CC[C@@](O)(CC#CC1CCCC1)CC1CCCCC1 2274164196 HQHPMJGBFNPNCD-GOSISDBHSA-N 262.437 4.682 30 10 CJEE C=CCC[C@H](C)[C@](CC)(CCC(C)C)OCCCN 2276386946 ZLVUDVJBUJBAQS-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H](C)[C@@H](C)CC 2276640631 PCEWHGRRRWKTHD-BBWFWOEESA-N 271.489 4.763 30 10 CJEE C=CCCCCC[C@H](OCCN)C(CCC)CCC 2276999402 DFNKYXFIUYIUEO-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CC)OCCCN 2277120713 BYBYSXDJMPRSBB-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE C=CC=CCC[C@H](CCCCCCC)OCCCN 2277393844 TVWSYUOPLUQLLV-QGZVFWFLSA-N 267.457 4.603 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccc(C(F)(F)F)s1 2277663655 GHVQBCSVGYTRFW-LLVKDONJSA-N 290.350 4.774 30 10 CJEE C=CC1(Nc2nc(C(F)(F)F)c(C)s2)CCCCC1 2278089403 RLDLIVHPZVWGNC-UHFFFAOYSA-N 290.354 4.771 30 10 CJEE C=CCCCCCC[C@@H](N)c1nc(C(C)(F)F)cs1 2278709880 NBDQZIHYRKRSRB-LLVKDONJSA-N 288.407 4.781 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CC2(CC(C)C2)C1 2280406451 IKYMAPRUGARUEK-QQQDYKAYSA-N 280.500 4.785 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(C)ccc2Cl)CC1 2283238184 RKEMSPFPCGRIDM-PWZRNIHTSA-N 291.822 4.792 30 10 CJEE CCCc1ccc([C@H](C#N)Nc2ccccc2C)cc1 2283542568 CZYDDUAGVJSGOH-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CO[C@@H](CSC[C@@H](C#N)C1CCCCC1)C1CCCC1 2283986767 GVDFULYPYBRKKQ-SJORKVTESA-N 295.492 4.645 30 10 CJEE CC1CCC([C@@H](C)N(C)CC=CC#CC(C)(C)C)CC1 2284180628 VTUJHLHUGZZEOB-LXPRWKDFSA-N 275.480 4.739 30 10 CJEE C[C@@H]1C[C@H]1CCCCCN(CCC#N)CC1CCCC1 2284912278 GWRYYRMDGDPTDY-SJLPKXTDSA-N 276.468 4.609 30 10 CJEE Cc1cc(F)ccc1[C@@H](C)Nc1cc(Cl)ccc1C#N 2285161673 CXUVWBRPFFYFFO-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C#Cc1ccc(CNc2cccc(C(C)(C)C)c2)cc1 2285741041 IZSFDDDZWAIKLY-UHFFFAOYSA-N 263.384 4.578 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccccc1OCC 2287408712 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4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@]1(C)CCCC1(F)F 2321237393 MFHLTRFTZPQKIR-RDBSUJKOSA-N 260.368 4.555 30 10 CJEE CCCCCCCCC[C@@](C)(SC1CC1)C(=O)O 2326958637 IEGWHXNYIGGXFB-OAHLLOKOSA-N 272.454 4.866 30 10 CJEE C=CCCCCCCCCN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333365239 GLGXXLOWICWIFI-QLFBSQMISA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@@H](O)c1cc(CC)ccc1OC 2336786156 RERCCHOSTURYJA-MRXNPFEDSA-N 264.409 4.652 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(Cl)cc1F 2337105925 CJHTUYKOQGHQJD-OZVIIMIRSA-N 281.802 4.875 30 10 CJEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCOC1 2341191357 AKYBZFULIXVFHQ-OAHLLOKOSA-N 298.213 4.636 30 10 CJEE CCCCC#CC[C@H](CCC[C@@H]1C[C@H]1C)NCCC 2341489445 NZXWOFYEYFFXOS-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(F)c(C)c1Cl 2344413118 ZBBSTDBPGRBLCN-MRXNPFEDSA-N 282.786 4.892 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc2ccccc2c1F 2344475492 HLEBVKDOWAAKID-MRXNPFEDSA-N 258.336 4.615 30 10 CJEE CCN(CC1(CS)CC(C)(C)C1)c1ccc(C)cc1 2345012074 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Cc1ccc(OCCCC[C@@H](C#N)c2ccccc2)cc1 57684432 PYWCBVRYGDTISV-SFHVURJKSA-N 279.383 4.852 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCO[C@](C)(CC)C1 70357450 DHUOHKRGHAORKL-RHSMWYFYSA-N 291.460 4.724 30 10 CJEE C=CCCC[C@@H](N)C(c1ccccc1)c1ccccc1 71276524 BFOYDEHYGGLBOV-GOSISDBHSA-N 265.400 4.502 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(F)c(F)c(F)c1 71276916 FRCSFBZPUXJECI-CQSZACIVSA-N 271.326 4.501 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1ccc(Cl)cc1F 71389880 WVYFNFXOJUWWQU-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE Cc1ccc(Cl)cc1-c1cc(C#N)c(C2CC2)o1 77083256 XYGOXNDFFLWOOD-UHFFFAOYSA-N 257.720 4.658 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@H](CC)C1 80457262 LEGWVFDPQJZXGW-KGLIPLIRSA-N 261.434 4.955 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)CC1 86891564 OVCSETUDQMXGMK-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCC[C@H]1CO 91357267 QLINAWYGGRATPU-MSOLQXFVSA-N 283.500 4.515 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297290 DHHBAYIMAJBULS-IOASZLSFSA-N 257.402 4.596 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccc(F)c(Cl)c2)cc1 101409163 MOQGJGJAJIWCRW-HJWRWDBZSA-N 289.737 4.596 30 10 CJEE CCCCCCC[C@](C)(C#N)Nc1ccccc1F 103069099 AGNOYCSVHBAVPT-MRXNPFEDSA-N 262.372 4.880 30 10 CJEE CCCCCCCCCCOCCCNC(C)C 103947344 ISYQFLSFDWEJRK-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCOc1ccc(C(F)(F)F)cc1[C@H](C)CCS 107474650 XKDDKACFNHFIKU-SECBINFHSA-N 278.339 4.528 30 10 CJEE CCCCCCCCCCCCN(C)CCCC(=O)OC 110045369 SBLQOCFXIHKZJA-UHFFFAOYSA-N 299.499 4.792 30 10 CJEE CCCCCCCCO[C@H](C)[C@H](NC)c1ccccc1 110084054 RJDOAWMUJZUSIQ-AEFFLSMTSA-N 277.452 4.713 30 10 CJEE CCc1cccc(C)c1Nc1cc(Cl)ccc1C#N 110250763 HPDSBBYYARMSOB-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@]1(C)C1CC1 114062611 CHVPIYSEYJDQNA-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCn1ccc([C@H](C)N)c1 118239400 XQRADZXLKBQTDQ-HNNXBMFYSA-N 250.430 4.649 30 10 CJEE CCCCCCCC[C@H](NN)C1(CC)CCCC1 122403517 LDVCURSMPQAZLF-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cc(O)ccc1O 129226659 MXEWKQVAAVCMKQ-HNNXBMFYSA-N 293.451 4.889 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130474525 KCHSWHQNDMPCSK-SJLPKXTDSA-N 289.463 4.962 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cnc(C)cn1 139514793 GVJWYWSOQBKPIM-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCCCCC[C@H](NCCC)c1cscn1 157314237 GVOLLQFQKMOEGF-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)c(C)s1 158092145 KWZCWAMJFIJKHE-CQSZACIVSA-N 253.455 4.986 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CO[C@@H](C)C1 159159574 RVIFSEITBAPSAJ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@]1(CNCC(C)C)CCO[C@@H]1C 159711720 UNZVAZDATMNXNS-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@@](C)(CNC1CC1)C1CC1 166901803 BHLUFAXZXOZRQR-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 167445499 ZBYIINPUKUJLJC-UWVGGRQHSA-N 284.186 4.606 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCCCC2)C1 222205509 CIZMTYFSQVYGHI-BBWFWOEESA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@H](C[C@H]1Cc2ccccc21)NC 229733122 XKHPTHXNPWYBFB-IAGOWNOFSA-N 259.437 4.665 30 10 CJEE CCCCCCCCC(=O)N(C)c1cc(Cl)ccc1N 231097275 LKRQJKXRIPGFIH-UHFFFAOYSA-N 296.842 4.636 30 10 CJEE CC(C)(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1 231790656 IODIMZAHJKLLES-UHFFFAOYSA-N 297.210 4.918 30 10 CJEE CCCCCCC[C@H](O)c1ccc(C)c(C)c1OC 232944059 MNKWHXIOCFRSQG-INIZCTEOSA-N 264.409 4.706 30 10 CJEE C=CCCCCC[C@H](O)C1(c2ccccc2)CCC1 236534339 GXATVFQXYQDBBD-KRWDZBQOSA-N 258.405 4.606 30 10 CJEE CC(C)CN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 250591853 LJOOSEFZOGQORM-OKZBNKHCSA-N 292.511 4.955 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@]1(C)CC 250834867 UCLPUUVTHOHLBY-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CSc3ccccc32)C1 252644744 PERQLSCMQXLHBY-JKIFEVAISA-N 271.429 4.986 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1c(Cl)cccc1Cl 302298139 YZOUNCBLYXKINL-CYBMUJFWSA-N 284.230 4.694 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1/C=C/CCCCC1 306015935 PKUZNHUMRIEAMT-YVZNUBBCSA-N 260.768 4.512 30 10 CJEE CC[C@@H]1CC[C@@H](CNC(C)C)[C@H](CC#CC(C)(C)C)C1 312216485 VWKKEWCHYCOOSL-KURKYZTESA-N 277.496 4.867 30 10 CJEE N#Cc1oc2ccccc2c1OCCC1CCCCC1 312255867 XZZTZSILXGLHSI-UHFFFAOYSA-N 269.344 4.654 30 10 CJEE CCC1CCC(C=O)([C@H]2C[C@H]2c2ccccc2)CC1 316552473 AKIKQPCRJVVUPV-YCHGYYGWSA-N 256.389 4.576 30 10 CJEE CCCCCCC[C@@](C)(CNCCC)OC(C)C 316649035 DCVDNNQKOWSNKT-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC/C=C1/[C@H]2C[C@@H]3CN[C@@H]1[C@H]3C2 328397187 ABUAOLQHSZMQIR-MEBFKTGWSA-N 261.453 4.681 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(C(F)(F)F)cc1 385006424 WTWCJERPNCSTJU-LLVKDONJSA-N 271.326 4.568 30 10 CJEE CCCCCCCCC[C@](C)(F)[C@H]1CCCCN1 386135869 PQAPAGTUODEJEJ-CVEARBPZSA-N 257.437 4.997 30 10 CJEE CCC1CCC(C/N=C2/N[C@@H](CC(C)(C)C)CS2)CC1 393490801 SOFMUSSUCIQWFR-NRXISQOPSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCC[C@@](C)(O)CCCOC 395408024 JUADDDKSCQKNJX-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccc(C)nn1 396975464 RMMDGNMSBKMEKM-INIZCTEOSA-N 277.456 4.576 30 10 CJEE N#C[C@@H](CSc1ccc(Cl)c(Cl)c1)C1CC1 397398059 HQEWMWSETOQBLA-VIFPVBQESA-N 272.200 4.635 30 10 CJEE CCCCCCC[C@@H](CCC[C@H]1CCOC1)NCCC 400963106 NKCVCVCFJLCBLC-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H]1CCOC1)NCC 401071890 NGCNNPIEHOMLHH-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](N)CCc1c(F)cccc1F 402037380 DIFKHWSTCWZQFA-CYBMUJFWSA-N 269.379 4.585 30 10 CJEE CC[C@H](/N=C1/NC2(CCCC2)CCS1)c1cccs1 687324242 ZZVXOSNUOBKGFH-LBPRGKRZSA-N 294.489 4.595 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C(F)(F)F)C1 692236368 YQSHYLOZIBEOEN-KBXIAJHMSA-N 289.385 4.832 30 10 CJEE CCC[C@H](CS)CN(C)Cc1cc2cscc2s1 693858196 VDXJUHUPVVIODC-NSHDSACASA-N 299.530 4.741 30 10 CJEE C[C@@H](CC(C)(C)C#N)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 695872159 NVHCFTPLYAMKHD-QDEZUTFSSA-N 263.425 4.546 30 10 CJEE CCC(C)(C)CCOc1c(C#N)oc2ccccc12 696716738 ACDWWXKRZPLQDX-UHFFFAOYSA-N 257.333 4.510 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCCC(C)(C)CC2)C1 697841049 BDPPSHNLOXCEER-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE CCCCCCCCC[C@H](O)Cc1nccn1C(C)C 699451471 RJCNPJFBURLEJQ-INIZCTEOSA-N 280.456 4.508 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1C[C@@H]1OC 709685265 GZFOHGFZAOKWRD-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C(C)C)cc1 710573179 LDAGSDLLVHFSMK-MRXNPFEDSA-N 265.828 4.993 30 10 CJEE CCCCCCCCCCC(=O)[C@@]12CCC[C@@H]1NCC2 711328272 DJZPMUQEBPHZKF-FUHWJXTLSA-N 279.468 4.619 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCCC(C)(C)O2)CC1 714369020 CMTMFLMCZFATTK-ISXOHVOVSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@H](N(C)C)C1 715490663 KNMFWNNWBIKUQQ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)C 715787951 OFUQUDSPJJCKAL-QAETUUGQSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@H](C)NCC1C[C@@H]2CC[C@H](C1)S2 716030568 SBYACJADPOKCHR-XYTVBORESA-N 283.525 4.999 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1CC(C)(C)CO1 717095328 RGMXQFSZGLPCAT-HOTGVXAUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC1(C#N)C[C@@H](C)O[C@H](C)C1 724273270 YZTCBHHNXOKXFW-HUUCEWRRSA-N 251.414 4.834 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1C[C@H](C)O[C@H](C)C1 724421232 PJWCRIPJMXDTRH-HZMVEIRTSA-N 270.457 4.692 30 10 CJEE C=C(C)[C@@H]1CC=C(C)C(=NNc2cccc3ncccc23)C1 915964589 DZWPPXFRZOISJC-OAHLLOKOSA-N 291.398 4.935 30 10 CJEE C(=Nc1cccc2ccccc12)c1ccc(N2CCCC2)o1 1083909693 PURKMHZCQXOTHB-UHFFFAOYSA-N 290.366 4.784 30 10 CJEE C=CCC[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 1124242069 VQWNLVPSNNGVLE-GOSISDBHSA-N 279.383 4.684 30 10 CJEE C=CCCC(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1124570290 YKWBXENZHYDILO-HNAYVOBHSA-N 287.447 4.980 30 10 CJEE C=CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 1124756595 JOAXATWGVJKCPZ-YTQUADARSA-N 297.442 4.812 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2C)CC1 1126754174 JFXHGAHAQROPRW-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc(Cl)c2C)c1 1134626855 QTBSKKOGPSITJW-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc(OC(C)C)cc1 1168802272 XGCBZMSCDFHGAI-QGZVFWFLSA-N 287.447 4.708 30 10 CJEE C=CCCCN(CC)C(=O)N[C@H](C)CCC1CCCCC1 1221937154 JTNWILGLKRWBMG-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1cccc(C)n1 1258039787 XXNBKRQWCPVCDQ-GDBMZVCRSA-N 262.441 4.790 30 10 CJEE C=CCCC1(CN[C@H]2C[C@@H]3CCCC[C@@H]32)CCCC1 1308859139 YOYHFUBNIWWAJI-ULQDDVLXSA-N 261.453 4.681 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 1349650415 BIYBYRHIDUNVCP-UHFFFAOYSA-N 289.419 4.534 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc2nc(C(C)C)sc2c1 1351794503 DWGPGQHVYIYPJT-UHFFFAOYSA-N 288.416 4.570 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(C)C)c1 1358273869 ICWNYALOEPGAPS-HOTGVXAUSA-N 299.458 4.728 30 10 CJEE C=CCCCCCN(C)C(=O)CCCSC(C)(C)C 1360624605 QCMBPCGHXRYRQO-UHFFFAOYSA-N 285.497 4.503 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1ccc(Cl)cc1 1436632004 XGBMBMVAWKBWET-NSHDSACASA-N 266.768 4.547 30 10 CJEE C=CC1(CC(=O)NCCCCC2CCCC2)CCCCC1 1456976434 HGJHCUNFTWNYRM-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CCC2(CCCCC2)O1 1462101011 UKDDKTXRYMGVMU-IRXDYDNUSA-N 279.468 4.593 30 10 CJEE C=CCCCC[C@H](C)NCC(C)(C)c1ccccc1 1462412420 FLAMEBJZVVQMKT-INIZCTEOSA-N 259.437 4.689 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](OCCCC)C1(C)C 1462427370 PKKKILPNBMUNEO-XDNAFOTISA-N 293.495 4.695 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@H]1CC1CCCCC1 1464560186 NSXKEPNFJULZBM-SFHVURJKSA-N 289.463 4.716 30 10 CJEE C=C(CC)CN(Cc1ccccc1C(F)(F)F)C1CC1 1473109645 FEXDXEWZBXBJSJ-UHFFFAOYSA-N 283.337 4.636 30 10 CJEE C=CCCC1(CNC/C=C/c2ccc(F)cc2)CCCC1 1474208898 UOTQRTMTGJHNEQ-VOTSOKGWSA-N 287.422 4.955 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC(CC)(CC)c2ccccc21 1519576358 GQTYYNYEJAHXGZ-OAHLLOKOSA-N 285.431 4.693 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCCCC1 1521703462 NRMMRWBSEIGCGY-GVDBMIGSSA-N 289.463 4.598 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(Cl)cc1C 1524529089 ZCYKQISLYXCWJW-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C#Cc1cccc(CNC(=O)[C@@H](C)CCCCCCCC)c1 1525410453 IKLSMQOEVIJANJ-KRWDZBQOSA-N 299.458 4.671 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCC(C)=C(C)C1 1527549463 JPTSBWNESMXNFF-QGZVFWFLSA-N 277.452 4.766 30 10 CJEE C=CC1(CC(=O)O[C@@H](C)c2ccccc2)CCCCC1 1527606648 YOSHPQFNJCUIOY-HNNXBMFYSA-N 272.388 4.817 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc(Oc2ccccc2)cc1 1530732896 PFMONGHKSUGQKT-LJQANCHMSA-N 296.366 4.987 30 10 CJEE C=CCN(C(=O)/C(C)=C/c1ccccc1Cl)C(C)(C)C 1532928234 APZVWZLAFYQUKJ-OUKQBFOZSA-N 291.822 4.556 30 10 CJEE C=CCC(CC=C)C(=O)OCc1cccc(C(C)C)c1 1535292267 JHBSRWJHSGPQRK-UHFFFAOYSA-N 272.388 4.622 30 10 CJEE C=C1CCC(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 1544375817 ZYIHATQLRYJHHF-LPHOPBHVSA-N 297.442 4.733 30 10 CJEE C=CCCCCC[C@@H](C)NCCc1ccnc2ccccc12 1560924958 XQPSIHNYPUXWCK-QGZVFWFLSA-N 296.458 4.892 30 10 CJEE C#CCCCCC(=O)Nc1ccc(C)c(-c2ccsc2)c1 1583823869 XHUIVCAHOHNOBT-UHFFFAOYSA-N 297.423 4.856 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1585759712 IDQAQRSVBZPQNF-SFHVURJKSA-N 279.468 4.557 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(C(C)C)cc1 1596318877 CMHFDNPLLAQDED-UHFFFAOYSA-N 273.420 4.532 30 10 CJEE C#C[C@@H](NC(=O)[C@@](C)(CCC)CCCCCC)C(C)(C)C 1597001615 FAMZIOXENSYHRD-APWZRJJASA-N 293.495 4.927 30 10 CJEE C=CCn1c(SCC2CC(C)(C)C2)nc2ccccc21 1613175874 FDDMNUNURRBWPA-UHFFFAOYSA-N 286.444 4.751 30 10 CJEE C=C(C)[C@@H](NC/C=C\c1ccccc1)c1ccc(F)c(F)c1 1620907532 RWNFLLQPJDVVIZ-WMHRWZGDSA-N 299.364 4.885 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](COC)c1cccc(Cl)c1 1621374643 CBVGABOSFNGRRC-SJORKVTESA-N 295.854 4.752 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](CF)c1ccc(F)cc1 1621488535 FWCOXUUUNXRNGG-HOTGVXAUSA-N 267.363 4.561 30 10 CJEE COc1cccc([C@@H](C)S[C@H](C#N)C2CCCCC2)c1 1640989798 AYOCDOHTDXIECK-CXAGYDPISA-N 289.444 4.962 30 10 CJEE C#CC[C@H](NC[C@@H](CC)CCCC)c1ccccc1 1653095559 AXZUGLBXCSRDOJ-WMZOPIPTSA-N 257.421 4.557 30 10 CJEE C=CCCCCCN1CCc2ccc(C(F)(F)F)cc2C1 1655299431 IKKRXJSKSYOUJN-UHFFFAOYSA-N 297.364 4.810 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@H]2CCC(C)=C(C)C2)cc1 1659068981 VLOYZKYSBVEKTL-RDJZCZTQSA-N 253.389 4.605 30 10 CJEE C#CCCCCCCN[C@H]1CCc2ccc(C(C)C)cc21 1659550882 ARPHRIDMYXSLSR-FQEVSTJZSA-N 283.459 4.971 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCC23CCCC3)c(Cl)c1 1660811059 NITFIGYMWKVQQM-MRXNPFEDSA-N 273.807 4.846 30 10 CJEE C=CCCC[C@H](C)NCc1cnc(C2CCCC2)s1 1662044015 KQDUKUQWONZLCZ-ZDUSSCGKSA-N 278.465 4.635 30 10 CJEE C=CCCCCCCNC(=O)N(CC(C)C)C1CCCC1 1682403454 NBONMRUMWXKBFI-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=C1CCC(CNC(=O)NC[C@H](CCC)CCCC)CC1 1685481868 IZFRKFAPTUTVFX-MRXNPFEDSA-N 294.483 4.639 30 10 CJEE CC(C)(C)c1ccc(CON=C2CCCCC2)cc1 1860463995 FRPNXDWYUVJFJH-UHFFFAOYSA-N 259.393 4.821 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1879417329 UCWRGIKLXHXAIK-AVEIZBFRSA-N 263.469 4.891 30 10 CJEE CCCCCCCCC[C@@H](O)[C@]1(C#N)CCCSC1 1879873819 UPJZBMNFCYNXKI-CVEARBPZSA-N 283.481 4.525 30 10 CJEE C=C1CC(CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)C1 1882375689 AOSFULDEYSOODQ-INIZCTEOSA-N 271.448 4.889 30 10 CJEE C=C(CN(C)Cc1cc(C)c(Cl)s1)c1ccccc1 1883359559 FGZJJBMDYAFLHS-UHFFFAOYSA-N 291.847 4.855 30 10 CJEE C#CC[C@H](C)C[C@H](CCC1CCCCC1)NCCC 1887475800 PCXCCNVLJIKKTJ-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE CCCCCCCCN(Cc1ccccc1)[C@H]1CCOC1 1892427402 ZEMFWTDNVWEHEQ-IBGZPJMESA-N 289.463 4.638 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(Cl)sc1C 1901009921 MKDUTSZFZABUFJ-CYBMUJFWSA-N 256.798 4.512 30 10 CJEE C=CC[C@H](C)[C@H](N)c1cc(Cl)c(Cl)cc1Cl 1903142265 FBIDWCQQSXSCEP-MADCSZMMSA-N 278.610 4.859 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(Br)cc1C 1903174797 RSDCKIPORJFCHK-UHFFFAOYSA-N 281.193 4.543 30 10 CJEE CC1(C)C[C@H]1CSC[C@](C)(CS)C(C)(C)C 1904859075 MKXVGZFFEQNSTC-FZMZJTMJSA-N 260.512 4.748 30 10 CJEE CCCCCCCCCS[C@@H]1CCC[C@H](O)C1 1909176349 MTYBRSKGIWSGMT-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE N#CC1(Nc2ccccc2Cl)CC2(CCCCC2)C1 1912694669 NHEQMPUKGYKLSC-UHFFFAOYSA-N 274.795 4.759 30 10 CJEE C=CC[C@H](C)Oc1ccc([C@H](C)NCCC)c(Cl)c1 1913333148 FDWZAUGJTLDFSR-STQMWFEESA-N 281.827 4.744 30 10 CJEE CN(CCCCCCCCCS)CC1CC2(CC2)C1 1913590602 MEBMIZKBODVDPA-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(Cl)c2)CCC1 1913981109 HHEQKEKUTHUVNY-UHFFFAOYSA-N 270.203 4.582 30 10 CJEE C=CCCC[C@](C)(O)c1cc(Cl)sc1Cl 1919892122 CNLLHZIMFMXADZ-NSHDSACASA-N 265.205 4.619 30 10 CJEE CCCCCCC[C@@](O)(c1cccs1)C(C)C 1919894519 YXTZSIZFQBWKBX-HNNXBMFYSA-N 254.439 4.952 30 10 CJEE CCCCCCCC[C@@]1(N)c2ccccc2OC[C@H]1C 1920447321 CWLLQDZOYINUQA-QAPCUYQASA-N 275.436 4.620 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCCC23CCC3)cc1 1921614629 HDOJBHYUHFRCTC-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CCCCCCCCCN[C@H]1CCS[C@H](C)C1 1940317104 DLHAROKNGLQDDL-CABCVRRESA-N 257.487 4.611 30 10 CJEE N#C[C@H]1CCCCC[C@H]1SCc1ccc(Cl)o1 1941854774 QSSVYIXJHYVSQX-ZYHUDNBSSA-N 269.797 4.639 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCCC1(C)C 1944475853 QEZXWWHYEQJYLL-HNNXBMFYSA-N 257.849 4.714 30 10 CJEE CC(C)Sc1cccc(Cl)c1C1(C#N)CCC1 1951650856 GXCAUTYYGBTJQD-UHFFFAOYSA-N 265.809 4.786 30 10 CJEE CCCCCCCCCCC[C@@H](N)CCC(=O)OCC 1951681902 TXAHERAKKCZDNP-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE CCCCCCCCCN(C)[C@@H](C)c1nccs1 1963223524 YFIAVLXUGRUQHA-AWEZNQCLSA-N 268.470 4.887 30 10 CJEE Cc1cc(C#N)cc(NCc2cc(C(F)(F)F)cs2)c1 1969921257 JITOVDWOKBMQSJ-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1ccc(Br)o1 1978654706 OEYQEEBCLYJNIB-ZDUSSCGKSA-N 284.197 4.695 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccsc1C(F)(F)F 1995996075 PIOUNYNCJQNBBB-SECBINFHSA-N 283.746 4.560 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2csc(Cl)c2)CC1 2010785149 VAOMEUCZULRNGC-JTQLQIEISA-N 268.809 4.967 30 10 CJEE CC[C@](C#N)(Cc1cc(Cl)ccc1F)C(C)C 2012408771 FVQRIKVDMBSYJH-CQSZACIVSA-N 253.748 4.598 30 10 CJEE CCCCCC#CCNc1ccc(C)c(Br)c1 2024350725 XQLQPMIGQUSZQG-UHFFFAOYSA-N 294.236 4.753 30 10 CJEE C=CCCCCCC1(CNC(C)C)CCSCC1 2029256920 SMWQBVYRLSVQNQ-UHFFFAOYSA-N 269.498 4.634 30 10 CJEE C[C@@H]1CCC[C@H](CC2(C#N)C[C@@H]3CC[C@H](C2)S3)C1 2029271626 GAJDYXLUIWVVCK-AFLMIKJESA-N 263.450 4.771 30 10 CJEE C=C([C@]1(N)CCC[C@H](C(C)(C)C)CC1)[Si](C)(C)C 2037275274 XJKSYUUWPUKNFA-HOCLYGCPSA-N 267.533 4.744 30 10 CJEE CC1(C)CCC[C@@](C#N)(Cc2ncsc2Cl)CC1 2039387063 UYUUSNPWIFPMJQ-AWEZNQCLSA-N 282.840 4.839 30 10 CJEE C=C(C)CCCN[C@@H](CC)C1CCC(C)(C)CC1 2040678806 WULJKUSQHOTOKI-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H]1C(C)(F)F 2045943619 OAPFMQWXIUFQHK-OLZOCXBDSA-N 260.368 4.988 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCCC(C)(C)C1 2049494762 FOCMXBQCWJLSBB-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCCC)CCCC(C)(C)C1 2049510733 GKPWVCHDFSRNRV-RDJZCZTQSA-N 251.458 4.785 30 10 CJEE CC(C)c1nc(C[C@@]2(C#N)CCC[C@@H](C)C2)cs1 2050597965 XMMDDCVQJYXIRS-IUODEOHRSA-N 262.422 4.529 30 10 CJEE CCCCCCCCNCc1cnc(CCC)s1 2051179661 ZWZCEEVTDWZFIA-UHFFFAOYSA-N 268.470 4.546 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cnc(C(C)C)s2)C1 2052785544 KUOFGXWGHIJYRQ-WFASDCNBSA-N 262.422 4.529 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1CCC[C@H](C)CC1 2059110525 BTUHUULOUVJVAR-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE FC(F)Oc1c(C(F)F)cc(S)cc1C(F)(F)F 2060211516 CMRGGTABILLJHK-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(C)c(Cl)c2)C1 2061735082 VAIIGVZLEFZDLS-INIZCTEOSA-N 263.812 4.655 30 10 CJEE CCCCCCCC[C@@]1(O)C=CCC2(CCC2)C1 2063685339 VVXDTMKPAQTLLL-QGZVFWFLSA-N 250.426 4.988 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)CCC(C)C 2065990795 RCCUAQGHFSMCCE-IKGGRYGDSA-N 251.458 4.926 30 10 CJEE CCCCCCC[C@@H](CC1(CCC)CCC1)NN 2069282834 OLCOQGCYNFEHCQ-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE CCCC1(CC2(C=O)CCC(C(C)C)CC2)CC1 2074620192 AEUGRFWRFYWFFW-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@H]1C(C)(C)C 2074912070 SASKKAIEJHFESA-JKSUJKDBSA-N 253.474 4.961 30 10 CJEE C=CCN(CC1CCC(CCC)CC1)C(C)(C)C 2075311295 JCIPKPOPWULYAD-UHFFFAOYSA-N 251.458 4.879 30 10 CJEE C=C(C)CN(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 2081099743 XKHFLRFWOBTLFM-UHFFFAOYSA-N 281.783 4.658 30 10 CJEE CCCCCC#CC[C@H](O)[C@H]1CCCC[C@@H]1CC 2083397580 QDEXYNVHOWJRDV-ULQDDVLXSA-N 250.426 4.538 30 10 CJEE CCCCCC#CC[C@@H](CCCCC)NCCC 2083406934 ZNZCUYIHVSNYRU-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCC#CC[C@@H](NC)C(C)(C)C(C)(C)C 2083448974 WCRXQRHFTOOKCT-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE C=CCCCCCC[C@H](N)C1(C)C(C)(C)C1(C)C 2085838380 CRVIIALCCQTULU-AWEZNQCLSA-N 251.458 4.913 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H]1CCCCC1(F)F 2085846797 JKBXCBBMMOZXJZ-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCCC[C@@](C)(O)[C@H]1CCSC1 2086264510 USFWFMXINHQWRI-JKSUJKDBSA-N 270.482 4.797 30 10 CJEE C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1Nc1ccc(C#N)cc1Cl 2088123468 PVKUSISLDPZVKQ-YRORDHRNSA-N 276.811 4.694 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(C3CC3)cc2)CC1 2089541806 HRNLOQAMIKQHTJ-SFHVURJKSA-N 255.405 4.700 30 10 CJEE CCC[C@@]1(C)CSC(=Nc2cccc(SCC)c2)N1 2090414490 OVOBVBIMCYQKKL-HNNXBMFYSA-N 294.489 4.681 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)CCC(C)C 2092190101 NBQNBEHSGRFWSP-SJORKVTESA-N 271.489 4.642 30 10 CJEE C[C@@H]1CC(=O)C=C(C[C@H]2CCCC[C@@H]2C(F)(F)F)C1 2092670048 QSPXFXFGLIWPOZ-SUHUHFCYSA-N 274.326 4.671 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnco1 2092730895 AKXDQLSHBNEKMI-HNNXBMFYSA-N 266.429 4.856 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)CC(C)(C)C 2093463904 YGHCNDFVVMUEGK-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@@]1(N)CCCCc2ccccc21 2098392240 IPDHIMAYYUUVGT-GOSISDBHSA-N 257.421 4.704 30 10 CJEE CC1(C)CCC[C@](C=O)(CCc2ccccc2)CC1 2100866504 FTAWDFQFEWOVNQ-SFHVURJKSA-N 258.405 4.795 30 10 CJEE SC[C@@H](CN1CCCC12CCCCCC2)C1CCC1 2102219808 PIVCWVIYZNRXFJ-MRXNPFEDSA-N 281.509 4.521 30 10 CJEE C=C1C[C@@H]1CC1(CNCC(C)C)CCC(C)(C)CC1 2102471054 MIDCKZGNGVDPOA-MRXNPFEDSA-N 263.469 4.785 30 10 CJEE CCCCCC(C)(C)CN=C1N[C@H](C)[C@H](C(C)C)S1 2103000503 DSVMQVLOELLLPI-KGLIPLIRSA-N 284.513 4.698 30 10 CJEE CCCCCCCOc1ncc([C@H](C)NCCC)s1 2103567731 PYUZULWRJKXOBM-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE C=C([C@@H](NCC)c1ccc(C(C)(C)C)s1)C(F)(F)F 2107932847 CYVSOXCMNUFGOU-GFCCVEGCSA-N 291.382 4.815 30 10 CJEE C=CCC[C@@H](NCCC)[C@@H](c1ccccc1)C(C)C 2107950970 BDJAIHWLHFUMPP-QZTJIDSGSA-N 259.437 4.761 30 10 CJEE N#CC1(C[C@H]2CC23CCC(F)(F)CC3)CCSCC1 2109413218 UAFVOKHCLUIESI-LBPRGKRZSA-N 285.403 4.629 30 10 CJEE N#C[C@@]1(C[C@H]2CC23CCC(F)(F)CC3)CC=CCC1 2109415571 XPOGORFHHUJZIX-KBPBESRZSA-N 265.347 4.842 30 10 CJEE C=CC1(CN[C@H](CC(C)C)c2ccccc2)CCC1 2111703855 BWLPHEBXDBKOSQ-QGZVFWFLSA-N 257.421 4.720 30 10 CJEE C=CC1(C[C@H](N)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 2111709074 SQPLXGZWNRRWGY-TWMKSMIVSA-N 261.453 4.667 30 10 CJEE C=CC1(C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC)CCC1 2111719611 OBBYEHURAOXOJO-CYBMUJFWSA-N 298.257 4.870 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@]2(C)CCCC2(F)F)CCC1 2111720264 PYTOEJHWYLCKSN-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CCCCCCCC(=O)[C@H]1CCCCCCCC1=O 2112433351 GPKCWXOZLBSKHB-OAHLLOKOSA-N 266.425 4.846 30 10 CJEE N#C[C@]1(CC2(c3ccccc3)CC2)CCCC12CC2 2116983782 KMKWEOPUEBJTKW-GOSISDBHSA-N 251.373 4.582 30 10 CJEE Cc1ccc(F)cc1C[C@]1(C#N)CCCCC12CC2 2116990608 MTGRKEWSLIOOST-KRWDZBQOSA-N 257.352 4.541 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cn2)CCCCC12CCC2 2117003931 KNUSJYAJFJXQSB-MRXNPFEDSA-N 274.795 4.532 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCCCC12CCC2 2117056797 YMBBEMWRLTYOPA-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(Cl)ncn1CC 2118674385 RQGPJBYLJOYOFT-CYBMUJFWSA-N 285.863 4.568 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(F)c1Cl 2119564653 MVWJHZHQXAMAFK-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@@H]1CCC[C@H]2C[C@H]12)NCCC 2121003559 PZVYIDANDTXXNJ-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE C=CC1CC(N[C@H](c2ccco2)c2ccc(Cl)s2)C1 2125825999 PAWXMADCEFLWHR-QKFMDRJYSA-N 293.819 4.638 30 10 CJEE CCCCCCCCCCC(=O)CCCCCNC 2127806635 CMFCWYKAGHPZQV-UHFFFAOYSA-N 269.473 4.866 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1ccc(C(C)(F)F)cc1 2128388638 OECAWZSPDDERKJ-SWLSCSKDSA-N 267.363 4.661 30 10 CJEE Cc1nc(C[C@@]2(C#N)CCC2(C)C)sc1C(C)(C)C 2131983280 RHKKGAQOYSVIMB-MRXNPFEDSA-N 276.449 4.622 30 10 CJEE CCCCCCCCOc1cc(CC)ccc1C#N 2132308939 CDTCSCVLFDWNOE-UHFFFAOYSA-N 259.393 4.860 30 10 CJEE C=C1CCC(C[C@@H](NC)C2(C(C)(F)F)CCC2)CC1 2133699368 GZYSWMHDMYXRCD-CQSZACIVSA-N 271.395 4.536 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1C[C@H]1C1CCCC1 2135329094 VHLOJFOOVVCANE-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE CCCCCC#CCOc1c(Cl)cc(Cl)cc1C=O 2139051065 DFPUIRANOUASKL-UHFFFAOYSA-N 299.197 4.768 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCCC1 2139199550 FNKCSMKIYOBQPH-MEDUHNTESA-N 296.241 4.836 30 10 CJEE CCCCCCCC(=O)c1nnc(C2CCCC2)s1 2139965835 VKKPSQNZUKBYOE-UHFFFAOYSA-N 280.437 4.739 30 10 CJEE Cc1cc(N)c(Oc2ccc(C#N)cc2Cl)cc1Cl 2141648306 HEKGABRSYOGSTC-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CCCCCCCN(C)[C@H]1CCc2ccccc21 2141923204 LGXKKILRYRLUBC-SFHVURJKSA-N 257.421 4.742 30 10 CJEE C=CCCCCCC[C@]1(O)CCc2ccc(C)cc21 2141999022 JRHRKKOOOIGNGI-SFHVURJKSA-N 258.405 4.655 30 10 CJEE C#C[C@@H](C1CCC1)N(C)CCCCCCCCC=C 2142221573 AQUJGAMXIIVDPY-SFHVURJKSA-N 261.453 4.637 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)c1ccsc1 2142396936 IXWNDHPWTSIQGO-MRXNPFEDSA-N 280.433 4.657 30 10 CJEE C=CCCCCCCCC[C@@](C)(N)c1cccnc1 2142427105 FPCBROQFCJZNJU-QGZVFWFLSA-N 260.425 4.562 30 10 CJEE CCCCCCCC[C@@H]1N[C@]2(CCC[C@@H](C)C2)CO1 2142454904 FTMPURVXKHWYEV-ZACQAIPSSA-N 267.457 4.632 30 10 CJEE C=CCCCN(CC)c1c(Cl)cccc1CNC(C)C 2144520312 JLOLYGFPMXANEZ-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2145887894 XCTMFEBSZMLUCM-XSLAGTTESA-N 277.496 4.887 30 10 CJEE C=CCCCCC[C@H](COC1CCCCC1)NCCC 2146010172 MGGILWSOHAFHSM-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CC1(C)CC[C@@H](CNC(C)(C)C)[C@H](CC#CC2CC2)C1 2146409168 NOGVJRWZTNMDES-SJORKVTESA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)CCC(F)(F)C1 2146986712 TUBZKAMFSHYIAU-LSDHHAIUSA-N 287.394 4.817 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)[C@@H](C)CC(C)C 2148610977 CMMCYVMJBYIDDN-OKZBNKHCSA-N 285.516 4.758 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCCC1(C)C 2149427664 IPLPJJBBEWIMKI-ROUUACIJSA-N 277.452 4.818 30 10 CJEE Cc1cc2ccccc2nc1[C@@]1(C#N)CCCC1(C)C 2149433291 JRJWEMQZBIKHHC-SFHVURJKSA-N 264.372 4.515 30 10 CJEE CCCCCCCC[C@H](NCC)C1CC2(CCOC2)C1 2151997180 GMSAQZKSQSTDMX-ADKAHSJRSA-N 281.484 4.532 30 10 CJEE C=CCCC[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC 2152923830 GDKZNKGMDGNNIM-GUDVDZBRSA-N 271.448 4.905 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1cscc1C 2153600262 RAZLLGSOGWEAJM-SJORKVTESA-N 297.508 4.819 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CC[C@H](C(C)C)CC3)C[C@@H](C1)C2 2154033859 HXYDCSDAWJBTSZ-MZEMSLAOSA-N 275.480 4.926 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1cc(C)cs1 2156080799 LYUPTMGONAIIGE-DLBZAZTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)C1(C)CC(C)C1 2156538289 KORRJLQFSKYEBW-SAGYGOJTSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2ccc(F)c(F)c2)CC1 2157098306 GTFBFCSDPOHQET-KRWDZBQOSA-N 280.358 4.683 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@](C)(O)CC2CCCC2)CC1 2157105096 IQGJTKPHQHCTMM-ROUUACIJSA-N 277.452 4.818 30 10 CJEE CCC[C@@](O)(C(F)(F)F)[C@@]1(C#N)CCCC(C)(C)CC1 2157115411 VQQMUUBWOWVNIA-KBPBESRZSA-N 291.357 4.580 30 10 CJEE CCCCCCCCCCNC1C(C)(C)C(O)C1(C)C 2163681326 ASYGGHDOELHQDR-UHFFFAOYSA-N 283.500 4.512 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@@H]1CCC=CCCC1 2163725039 VHFNVHQJZDWNBD-MRXNPFEDSA-N 269.388 4.690 30 10 CJEE C=CCC[C@H](N)c1ccc(-c2nc3ccccc3s2)o1 2164007628 ABNRKNLMRLWXEG-NSHDSACASA-N 284.384 4.522 30 10 CJEE C=CCOc1ccc([C@@H](NC)[C@@H](C)CCC(C)C)cc1 2164069053 FZPNWEWNVPCCOC-YJBOKZPZSA-N 275.436 4.584 30 10 CJEE CCN[C@@H](CCCCCC1CC1)c1cccc(C#N)c1 2164184543 UZUAVFUBMQMOKQ-SFHVURJKSA-N 270.420 4.569 30 10 CJEE C[C@H]1C[C@@H](N(C)CC2(C#N)CCCCC2)CC(C)(C)C1 2166292020 IFJQZHKNLDQVMO-JKSUJKDBSA-N 276.468 4.607 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1coc2ccccc12 2167607464 IQOOTOYCRPSSHK-INIZCTEOSA-N 269.388 4.523 30 10 CJEE C=CC1(C[C@H](N)c2ccc(Cl)c3cccnc23)CCC1 2168029706 YSIIWDRHKPKUHC-HNNXBMFYSA-N 286.806 4.634 30 10 CJEE C=CC1(C[C@@](C)(O)c2ccccc2C(F)(F)F)CCC1 2168032021 VZKHMCYFALBDNB-CQSZACIVSA-N 284.321 4.659 30 10 CJEE Cc1cc([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)ccc1Cl 2168538375 DVEPENUYWXLKKU-NVXWUHKLSA-N 291.822 4.792 30 10 CJEE CC1(C)CCC[C@@H](CN=C2N[C@H](C(C)(C)C)CCS2)C1 2168609600 IVWPAMNXOIENGK-KGLIPLIRSA-N 296.524 4.700 30 10 CJEE CCC1(CC)CCCN(c2ccc(C#N)c(C)c2)CC1 2171396152 IIZWKKGYHCJTLZ-UHFFFAOYSA-N 270.420 4.663 30 10 CJEE C=C([C@@H](NCCC)[C@@H](O)C(CCC)CCC)C(C)(C)C 2172279908 MZSPNWLTOMZTTF-SJORKVTESA-N 283.500 4.534 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1nc2c(s1)CCCCC2 2173285843 DGUXERAYPKBRTD-HIFRSBDPSA-N 292.492 4.665 30 10 CJEE C#CCCCC[C@@H](O)c1ccc(-c2ccccc2)cc1 2173460631 IJRHUJHGQKZCRZ-LJQANCHMSA-N 264.368 4.581 30 10 CJEE CCCCCCCO[C@H]1CC(=O)[C@]12CCCCC2(C)C 2173631827 APKSAPSNILXTQB-FUHWJXTLSA-N 280.452 4.901 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@H](O)c1ccccc1Cl 2173639645 PAQVNZIGLFNKCS-DOTOQJQBSA-N 291.822 4.874 30 10 CJEE NC[C@]1(CC#CC2CCCCC2)CCCCC12CCC2 2173685137 MLXSAROYKXREEO-LJQANCHMSA-N 273.464 4.650 30 10 CJEE CCC#CC[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 2174098415 QJIHAMRRDFBJBM-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE CC[C@@H]1NC(=NCc2ccccc2C(C)C)S[C@@H]1CC 2174245784 BAJBHGRVWPUIGG-JKSUJKDBSA-N 290.476 4.560 30 10 CJEE CC1([C@@H](O)CC#CC2CCCCC2)CCC2(CC2)CC1 2176614912 MUJQXLLXFQSDGP-KRWDZBQOSA-N 274.448 4.682 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(Cl)c2cccnc12 2179679859 HYNGAPLAFQEKCE-INIZCTEOSA-N 288.822 4.895 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1C(F)(F)C12CCCC2 2179680626 UIAWJJHCLUHKHL-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H](OC)C1CCCCC1 2179683607 WBHPRODBHOXJNN-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CN(c1ccc(C#N)cc1Cl)C1CC2(C1)CC(C)(C)C2 2181519649 WDUIAQCJYUCFFM-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ccc3c(c2)CCCC3)CC1 2181665845 DEDPWBROYUVCBF-CQSZACIVSA-N 268.400 4.885 30 10 CJEE COc1cccc(C)c1C(=O)C1=CC[C@@H](C(C)C)CC1 2183292300 UURFDJUCRFPVFA-CQSZACIVSA-N 272.388 4.569 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H]1C[C@@H]2CCC[C@@H]2C1 2183400502 VMYUUHNGHCJBMJ-MHORFTMASA-N 275.480 4.621 30 10 CJEE C=CC1(C[C@H](NCCC)C2CC3(C2)CC3(C)C)CCC1 2183933097 KBCQXKNHSBPYPQ-WUJZJPHMSA-N 275.480 4.927 30 10 CJEE C[C@H](C[C@@]1(C=O)CCOC12CCCC2)C1CCCCC1 2190282189 GMCSFNBUMPXGSK-NVXWUHKLSA-N 278.436 4.511 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@]23C[C@](C)(CCO2)C3)CC1 2193669613 UGFWJHARECSNDB-KURKYZTESA-N 278.436 4.511 30 10 CJEE C=C1CCC(C[C@@]2(O)CCCCc3ccccc32)CC1 2196502537 CWORJPWUUBKGPY-IBGZPJMESA-N 270.416 4.737 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2C[C@H]2c2ccccc2)CC1 2200049980 CQFGROASPPRLAJ-IPMKNSEASA-N 269.432 4.515 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@@H]3CCCC[C@H]32)c1 2201122342 LMWNIVQVCSNEEZ-JQHSSLGASA-N 268.404 4.660 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(CCF)CCCN1 2202103023 FYDDUINMQXZMEF-KRWDZBQOSA-N 285.447 4.568 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1C[C@H]1C(F)(F)F 2203787237 KCVLCUOCNOTXMQ-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCC#CC[C@@]1(CNC2CC2)CCCCC1(C)C 2203809405 GDSMZBHWDOVKBH-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CC[C@@H](CC)C1 2206172768 OOQPIAOMDYDMFP-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H](O)c1ccc(C)cc1Cl 2206891076 JBTNMCRCHSWQFQ-SJORKVTESA-N 295.854 4.536 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1c(F)cncc1F 2206892097 OJEFSTOHLMPREA-OAHLLOKOSA-N 282.378 4.537 30 10 CJEE C=CCCCCCCC(=O)[C@@](C)(O)C1CCC(C)CC1 2206899266 XDNQCYVNTJKUTD-HTWSVDAQSA-N 280.452 4.659 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CCO[C@H]1C)NCCC 2206901142 ZPPXIDSAFBXRID-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCOCC[C@@H]1CCCNC1 2207402706 DQSUBQVWRCZUPC-SFHVURJKSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCCC[C@H](NCC)[C@@H](C)COC 2207404005 QTJLMHDIGMNCGE-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1csnc1OC 2207437539 QSBHMUMECUTXRN-HNNXBMFYSA-N 297.464 4.882 30 10 CJEE CCCCCCCC[C@H](O)C(=O)[C@@H]1CCC[C@H](CC)C1 2207450559 SMYXVRLSGXFCMC-BBWFWOEESA-N 282.468 4.883 30 10 CJEE CCCCCCCCOC[C@H](CC1(C)CC1)NCCC 2207922079 XDYPVSVHLOBTSG-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C=CCCCCCCCO[C@H](C)CNCc1ccccc1 2209705628 LPRPPDUPYQZVQO-GOSISDBHSA-N 289.463 4.708 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1cc(C)cc(Cl)c1 2216169045 KQJAVWFKJMIKDO-CHWSQXEVSA-N 251.801 4.654 30 10 CJEE CCCCCCCOc1c(C)ccc(N)c1Cl 2216313378 KSWCUZBWQIGMIP-UHFFFAOYSA-N 255.789 4.580 30 10 CJEE CCCCCCCCN[C@H]1C[C@H]2CCC[C@H](C2)C1 2218329225 BHNPFASKQJRBMK-BJWYYQGGSA-N 251.458 4.905 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1scc(C)c1Cl 2218435501 OPDNPZVQJUAHPF-GFCCVEGCSA-N 283.868 4.800 30 10 CJEE CC1(C)CCC[C@](C#N)(CC(F)(F)C2CC2)CC1 2218543593 BUJJBMOPXAKDDI-CQSZACIVSA-N 255.352 4.922 30 10 CJEE C=CCCCCCCC[C@@H]1CC[C@@H](C)[C@@H](NC)C1 2220082244 BNNGDQFHRCRFNH-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)CCC1(C)C 2220083353 HBCRNRBHSRMDRP-KRWDZBQOSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCC[C@H](F)C1 2220087237 QUAWRZHWLNNXJE-CVEARBPZSA-N 255.421 4.631 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@@H]1C1CCC1 2220094890 XLWMZPNCMPLLJI-IAGOWNOFSA-N 250.426 4.844 30 10 CJEE C[C@H]1C[C@@](C#N)(CC2(C)CC3(CCC3)C2)CCS1 2221086636 UBYYQNSPGXNVHO-XJKSGUPXSA-N 263.450 4.772 30 10 CJEE CCCCCCCCC[C@](C)(N)c1scnc1C 2222084032 LWFIMAANGIXKCC-HNNXBMFYSA-N 268.470 4.766 30 10 CJEE C#C[C@H](N[C@H](C)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2222136058 WCRJLLRQKYTMBK-YGRLFVJLSA-N 284.230 4.692 30 10 CJEE FC(F)CCCCOCC1(CS)CCCCCC1 2222459363 KBZMQGOAXFHAEL-UHFFFAOYSA-N 280.424 4.709 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)C[C@H]2C=C[C@H]1C2 2227269405 ZOPAWDMEVZTTLA-ZOBUZTSGSA-N 262.393 4.570 30 10 CJEE C=CCCCCCCCN(C)C[C@@H](C)OC(C)(C)C 2227525278 UEKHUNCOCZXHOT-MRXNPFEDSA-N 269.473 4.648 30 10 CJEE CCCCCCCCOC(C)(C)[C@H]1CC[C@@H](N)CC1 2228650084 ZEJLNFXEYBKBLH-IYBDPMFKSA-N 269.473 4.660 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2C[C@@H]1C2 2229883175 XRGVPUCSBVTAFO-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCOc1ncc([C@@H](C)N)s1 2231039631 HWJBSWHPMLFXAV-CYBMUJFWSA-N 284.469 4.682 30 10 CJEE CC(F)(F)CCCC(=O)CCCC(F)(F)C(F)(F)F 2231728650 FPNYMLXNTCEGKA-UHFFFAOYSA-N 296.226 4.749 30 10 CJEE C=C(C)CCO[C@](C)(CCCCCCCC)C(=O)O 2231901700 CLAMOZZYEIAJKU-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCCCCOC[C@@H](NCCC)c1cccc(Cl)c1 2234044264 UGKYQFDGXQPWPY-QGZVFWFLSA-N 295.854 4.754 30 10 CJEE C=CCCCCCCC[C@](C#N)(C(=O)OCC)C(C)C 2235512457 DGOUJUXVPGUYBS-QGZVFWFLSA-N 279.424 4.632 30 10 CJEE C=CCCCCCCC[C@@H](CSC1CCCCC1)NN 2235537458 CAOAQJYZTGVDQP-INIZCTEOSA-N 298.540 4.801 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)[C@@H](CC)C(C)C 2235540830 BEWNIPMDNICNGL-OKZBNKHCSA-N 283.500 4.534 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2239166643 OVUHPIFIXKHMDC-ZFWWWQNUSA-N 284.390 4.988 30 10 CJEE CCCCCCCCCCOC[C@@H](N)[C@@H]1CCC1(C)C 2239489087 FUKVWAOVWKYGOM-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCCCOC[C@H](N)[C@]1(C)CC1(F)F 2239493779 WTTHAIGKZJKIOK-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCCCCCOC(=O)c1sccc1CN 2239506108 WLWGYDPPBLOKEU-UHFFFAOYSA-N 297.464 4.504 30 10 CJEE CCCCCCCCCCCOCC[C@@H]1CCCNC1 2239550390 NYHICZUSKGSNEW-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C1CC2(CCC2)C1 2240636831 BIDCBYOFYOSGLB-QGZVFWFLSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1CCC[C@@H]1C 2240640673 SLHFMVJGKSAKJZ-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](C)NC1CCN(CCC)CC1 2240658609 VDXDCQWPALDSMX-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1cccc2ccoc12 2241200942 BHRWTDKRQZLOPA-IAGOWNOFSA-N 271.360 4.576 30 10 CJEE C=CCCCSCC(=O)c1ccc(CCC)cc1 2258995684 MBBMURYBMOUBFU-UHFFFAOYSA-N 262.418 4.521 30 10 CJEE C=C(C)CCCC[C@H]1CC(F)(F)C[C@H]1NCCC 2259206935 TUZAUVOCIRSFMT-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@H](Cc1cccs1)NCCC 2259238221 ROBOKQBTFSWSIG-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CC1CC(CC(C)(C)C)C1 2261133075 QXIJOZLEIMDPAE-VXTDNTOSSA-N 250.426 4.844 30 10 CJEE SCCCCCCCN1CCC[C@H]1c1cccs1 2263208596 GLJGGTMDVIWAAD-AWEZNQCLSA-N 283.506 4.765 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@@H](C)CCOC 2263670533 NNKWTDNIHARXTL-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE N#Cc1cccc(F)c1NCc1cc2sccc2s1 2265756255 PPSICHXUXAZHOP-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H]1CC(F)(F)C12CCC2 2266152053 JAGMKMNOCPMNDU-ZIAGYGMSSA-N 271.395 4.666 30 10 CJEE N#CC[C@@H](Sc1cc(F)cc(F)c1)c1ccccc1 2266617635 WUXWPTYGRGQOOL-OAHLLOKOSA-N 275.323 4.712 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(F)ccc1Cl 2268106289 ULQHQVMVEFDGIM-HUUCEWRRSA-N 283.774 4.623 30 10 CJEE CC(F)(F)CCSc1ccc(C#N)c2ccccc12 2268408612 CKPUMSQEXSNUBW-UHFFFAOYSA-N 277.339 4.849 30 10 CJEE C=CCCCS[C@H]1[C@H]2CCCCC[C@@H]2C[C@H]1NCC 2271490292 VBBNKVJTTQEBFT-TWMKSMIVSA-N 281.509 4.633 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1c(C)oc(C)c1C 2271785419 MRRJPJLLPHMZFS-MRXNPFEDSA-N 263.425 4.992 30 10 CJEE C=C(C)CCCCN(C)[C@H](C)c1sc(CC)nc1C 2271836213 DTULJJVMTSHSRX-CQSZACIVSA-N 280.481 4.753 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(F)cc1C 2271837178 PJLOUHGIIOTCAY-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@H]1CCc2ccccc2[C@H]1NC 2271840335 AUSXDUQHSOZKKX-WMZOPIPTSA-N 257.421 4.646 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@]23CCCC[C@H]2CC3)c1 2273421469 KMDIMSKTLNLDLJ-XJKSGUPXSA-N 274.795 4.594 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1cccc(Cl)c1Cl 2274051242 QQFHWVZOSIXYBW-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C[C@H](C)C(C)(C)C 2274119284 BVEAQPGQCOCGOC-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@H](CCCCC(F)F)OCCN 2276078441 FMIOSXVTNLTFMZ-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CO[C@@H]1C[C@](C#N)(CC[C@@H]2CCC[C@H](C)C2)C12CCC2 2279821263 PEZRISAOYNSKHD-NXOAAHMSSA-N 275.436 4.692 30 10 CJEE C=CCOc1ccccc1[C@H](O)CCCC[C@H]1C[C@@H]1C 2280461856 XVCLYMJQBRUZQZ-YQQAZPJKSA-N 274.404 4.501 30 10 CJEE Cc1cc(N[C@H]2C[C@@H]3CCCC[C@@H]3C2)cc(C)c1C#N 2280554788 ROXWNCDXKNDQDS-SCAQPMJSSA-N 268.404 4.556 30 10 CJEE CN(CC[C@H]1CCCC12CC2)CC1(CS)CCCCC1 2281352116 MICLQOUKVIBMAT-MRXNPFEDSA-N 295.536 4.769 30 10 CJEE Cc1ccc(Cl)c([C@H](O)[C@@]2(C#N)CCCCC23CC3)c1 2283381617 QXOGTMOSXKBQSF-RDJZCZTQSA-N 289.806 4.546 30 10 CJEE CC(C)[C@@H]1CCC[C@@](O)(CC=CC#CC(C)(C)C)CC1 2284075853 IBEWLMJFWNEZJL-MJGOQNOKSA-N 276.464 4.950 30 10 CJEE COc1cc(Cl)ccc1C(=O)CC=CC#CC(C)(C)C 2284093205 VZAPXOUOWDULKM-UHFFFAOYSA-N 290.790 4.527 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccn(CCCC)n1 2285057446 FCJFIDHYRAVCEI-KRWDZBQOSA-N 280.456 4.641 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(CCC)NCC 2287094586 QSFHKDFBSLFXTM-KRWDZBQOSA-N 296.524 4.918 30 10 CJEE C=CCCCCCCCSC[C@](N)(C#N)C[C@H](C)CC 2287096505 LQEDCCHSFGGQNR-IAGOWNOFSA-N 296.524 4.903 30 10 CJEE C=CCCCCCCCSC[C@](N)(C#N)CC1(C)CC1 2287096969 QPLBPGHAKVMGFG-QGZVFWFLSA-N 294.508 4.657 30 10 CJEE C=C(C)CCCCN(C1CC1)[C@H](C)c1ccc(O)cc1 2287379692 PTCLUUUGFVLVQF-OAHLLOKOSA-N 273.420 4.664 30 10 CJEE C=C(C)CCCCn1c(C(F)(F)F)nc2ccccc21 2287409504 VOTCSLQQYUJKIS-UHFFFAOYSA-N 282.309 4.802 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CC2(CC(C)C2)C1 2287737304 GEIVLOGARSZLAF-HFJRUHRISA-N 269.432 4.504 30 10 CJEE O=C[C@]1(CC2CC3(CC(F)C3)C2)CCCCC12CCC2 2287775834 OFQQQRJGHLYOOD-XKVNHCMESA-N 278.411 4.834 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@](C)(C(C)C)CS1 2287983658 UZEKYIPCHRWPDM-RDJZCZTQSA-N 298.540 4.946 30 10 CJEE CCCCCCC[C@@](C)(Cc1cccs1)OCC(=O)O 2290873024 NWPGRYZHCLPSLH-INIZCTEOSA-N 298.448 4.511 30 10 CJEE C=C(C)CC[C@](C)(CCCCCCC)OCCC(=O)O 2291426606 SEFMIBZCCSUQBM-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)[C@H](C)C(C)C 2291588188 UZUIYATWLYKJAQ-HZPDHXFCSA-N 286.456 4.889 30 10 CJEE C=CCCCCC[C@@H](OCCN)C1CC(C(C)(C)C)C1 2292903272 PLMLVTRHBIDYFC-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE C=C(CC)C[C@](C)(OCCCN)[C@@H]1CCCC(C)(C)C1 2294186122 PFAFIHIIWLUUKV-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)c1ccc2ccc(Cl)cc2n1 2294981159 IMSMNKNQWIHWDX-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1cc2ccccc2s1 2295155796 XLECOILURFFDIF-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@@H]1CCC1(C)C 2295601175 LOCBIZRVVMUMKJ-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H]1[C@@H](C)[C@@H]1CC 2295601254 MSUZROCIGMIMFT-CUSZFKRNSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@](C)(O)C(C)(C)C 2295674231 PBHKXKKENHIHED-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE C=C(F)C[C@@H](NCC)[C@@](C)(O)CCCCCCCCC 2295676865 OZLLXNSSMOEXRJ-SJORKVTESA-N 287.463 4.730 30 10 CJEE CCC(=O)C=Cc1ccc(-c2cccc(Cl)c2C)o1 2296515309 UGCUFTAYRYIGBR-UHFFFAOYSA-N 274.747 4.901 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](C)SC 2299240659 QKGPVYARTIPRLX-CABCVRRESA-N 258.471 4.796 30 10 CJEE 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CJEE C=C([C@H](CCc1cccc(F)c1)NCCC)C(C)(C)C 2232797366 NOUXHNWOYHJGFQ-KRWDZBQOSA-N 277.427 4.729 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1ncc(F)cn1 2233025324 ILXZSULBRDTUGF-OAHLLOKOSA-N 281.419 4.536 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc2cnn(C)c2s1 2235519435 PWSUKFHLXWPXGW-CQSZACIVSA-N 291.464 4.551 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCCC(F)(F)C1 2235539358 PBJRALRYHLZONN-CABCVRRESA-N 288.426 4.561 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1c(C)cccc1C 2237750853 COODVKBALSOXKL-SFHVURJKSA-N 276.420 4.598 30 10 CJEE C[C@H](NCC#CC(C)(C)C)c1ccc2ccccc2c1 2238716106 RLWJLDKTTWUZMJ-HNNXBMFYSA-N 265.400 4.540 30 10 CJEE CCCCCCCCCOCC1CCC(NCC)CC1 2239450909 YRZLVBRUOSTEDN-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@@H]1CNCCC 2239466299 ANPKYRJVNOQTTA-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCOc1csc([C@@H](C)NCC)n1 2239537147 IPYYJSGHGVAZGN-CQSZACIVSA-N 298.496 4.943 30 10 CJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1cc2ccccc2s1 2239567770 GZTYIMUDAMZHJE-HNNXBMFYSA-N 297.810 4.606 30 10 CJEE C=CCC[C@@H](C)Oc1cc(Cl)ccc1CNC1CCC1 2240248097 SUYSMBKDGUGCOV-CYBMUJFWSA-N 293.838 4.716 30 10 CJEE CCCCCCCC[C@](C)(CN)N1C[C@@H](C)C[C@H]1CC 2240560315 DRCSSKALDDBFFP-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C1=CC[C@H](C)CC1 2240639640 HQRKUHIVNYBASW-SZMVWBNQSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@]1(C)C[C@H]1C)NC 2240640037 LZRLQWKWWYOYSW-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE C[C@H]1C[C@H](OCCCCCCCS)CC[C@H]1C 2252622626 ILHBSUPUYBTKOW-QLFBSQMISA-N 258.471 4.708 30 10 CJEE N#Cc1cc(F)c(Cl)cc1SC[C@H]1CC12CCC2 2254067593 NCFNIHDRGMAHHA-SNVBAGLBSA-N 281.783 4.633 30 10 CJEE CC[C@@](C#N)(C[C@@H]1CC(F)(F)C12CCC2)C(C)C 2254973230 GCPXTBKNTWGTIR-OLZOCXBDSA-N 255.352 4.778 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cscc1Cl 2256708404 SGCZDUWKEIUTBB-CQSZACIVSA-N 281.852 4.658 30 10 CJEE CC(C)CCCCCOc1ccc(Cl)cc1C#N 2257256024 JVXWHVNUAQPGIR-UHFFFAOYSA-N 265.784 4.807 30 10 CJEE CC#CCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2258559841 UQDCMRDBKCPNRV-OAHLLOKOSA-N 284.230 4.756 30 10 CJEE C=CCCSc1ccc(CNC(C)(C)C)cc1Cl 2258985095 HVLIGULIDWDIHK-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@H]1CCCc2sccc21 2259236379 BEOOBIAMRJIFHD-HIFRSBDPSA-N 264.434 4.665 30 10 CJEE C=C[C@H](C)CCN(C)CCc1cc(Cl)cc(Cl)c1 2260401548 KBLDUTUOYSRAMZ-LBPRGKRZSA-N 286.246 4.680 30 10 CJEE CCCCCCCN(C)C[C@]12CCCC[C@H]1CC2 2260576278 YHNRIIUAOWOQBT-DLBZAZTESA-N 251.458 4.859 30 10 CJEE CCCCCCC[C@H](CCC(C)C)OCCCN 2262566436 YHZABKVGKQHRHA-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(Cl)s1 2262988960 WOVVKWOQVVEINA-GFCCVEGCSA-N 289.872 4.778 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1[C@H]2CCC[C@H]21 2263712319 NIGBQVYVFFTXMM-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)C[C@@H]1CC1(C)C 2265183497 OZRNPUBTGFGLJN-KXBFYZLASA-N 285.497 4.996 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cccc(F)c1Cl 2268746930 SIXQIKZHTCYTDQ-UHFFFAOYSA-N 278.754 4.658 30 10 CJEE C[C@@H](NCC=CC#CC(C)(C)C)C1CCCCCC1 2268826062 WKBXGSDPPSTZCX-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOC[C@H](CS)c1ccccc1 2268826646 AEABUUOUURMMFE-HYVNUMGLSA-N 278.461 4.543 30 10 CJEE CC(C)[C@H](NCC=CC#CC(C)(C)C)c1cccs1 2268826882 YMYAGIVTLATMOD-INIZCTEOSA-N 275.461 4.641 30 10 CJEE CCCCCCC[C@H](NC)c1nccc2sccc12 2268919761 QGOIWQSUXWDDNV-AWEZNQCLSA-N 276.449 4.917 30 10 CJEE O=CC1(C[C@@H]2CCC[C@H]2C(F)F)CCCCCCC1 2270041516 OOZOGVCKYHMGPG-UONOGXRCSA-N 272.379 4.988 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@H]2C(F)F)CCCC(F)(F)C1 2270134452 YLDLYYMJUUWZRF-WZRBSPASSA-N 277.305 4.777 30 10 CJEE N#C[C@]1(CCCCCCCCCCO)CC=CCC1 2271228970 BMFRASARYFMQGQ-QGZVFWFLSA-N 263.425 4.740 30 10 CJEE COCCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 2271892793 WQMURQPSXYYBSB-RRFJBIMHSA-N 283.481 4.501 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1cscc1C(F)F 2274065050 CECSAMULWYTGPR-CQSZACIVSA-N 283.387 4.530 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@@H](O)CC#CC1CCCC1 2274118633 VGTNIEXPRDIDQV-INIZCTEOSA-N 297.225 4.919 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1(CC)CCCC1 2274120218 HRQBDEOZXNJXHV-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=C(C)C[C@@](C)(CCCCCCC)OCCC(=O)O 2275169950 RPJFVYOJUUGOQR-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)C(C)=C(C)C 2275312984 FDTRXMAXPDXBAI-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCCN)C(C)C 2276145539 PQLCTNASQFJNLS-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CCC[C@H]1C 2276414520 GYNQYYLVIHIHRS-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H](C)C(C)C 2276643757 WIQWMFJWKMWXAG-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@](C)(CN)CCC 2278169517 QVIVMBMYDFDWLT-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@](N)(C#N)C(C)C 2278261810 WDWIRNXGFRWKBB-CVEARBPZSA-N 284.513 4.593 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc2scnc2c1 2278619670 UDQOEPOYOORWTL-BLLLJJGKSA-N 274.433 4.549 30 10 CJEE N#CC1(c2ccc3ccccc3c2)CC2(CCCC2)C1 2279766190 RJFCZIZKOCXXPW-UHFFFAOYSA-N 261.368 4.955 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc2cccnc2s1 2280200066 PVZNBMOXZFQYHG-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@@H]1CCC1(C)C 2280926303 OBAJKGLVDRSLOK-HOTGVXAUSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC1=CCCCC1)NC 2281253214 MLOFKNILHUZAFZ-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)c1sccc1CC 2283077508 ZDHSTKIJYGVPEH-JKSUJKDBSA-N 295.492 4.588 30 10 CJEE CCN[C@@H]1CC[C@@H](CC)C[C@H]1CC=CC#CC(C)(C)C 2284091487 XXJCFMVNFHSEDY-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE C[C@@H]1CC[C@@H](C(C)(C)CC=CC#CC(C)(C)C)[C@H](O)C1 2284110551 DXNIQBDEYQOGMN-BRWVUGGUSA-N 276.464 4.806 30 10 CJEE C=CC1(CN[C@@H](C)c2ccc(F)cc2C)CCCCC1 2285176422 OITFVZCAZOOTJP-HNNXBMFYSA-N 275.411 4.921 30 10 CJEE CC1(CSCc2ccccc2C#N)CC(C(F)(F)F)C1 2287332359 MMRHWBAKENGRSO-UHFFFAOYSA-N 299.361 4.770 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(O)CCCCCCC1 2287382955 LGDXTJIZXBLACH-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CCC[C@H](CC)[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2287673527 MXCBBOMIQKKOHQ-UERKLNTKSA-N 279.468 4.920 30 10 CJEE C[C@](N)(CC#CC1CCCC1)c1cc2ccccc2s1 2289901815 UGVHIVXTUDHUNF-SFHVURJKSA-N 283.440 4.659 30 10 CJEE CC1(C)CC(C)(C)CC(CN)(CC#CC2CCCC2)C1 2289924227 IISIPFSCKKUKNO-UHFFFAOYSA-N 275.480 4.752 30 10 CJEE CCCCCCCCC1(OCC(=O)O)CCCCCC1 2290603125 IVMIYOMEQBRHRV-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)C1CCCCCC1 2290891013 VWVLNFLWAAYIMD-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCCC(=O)O)C1CCC1 2291753828 OQQBLWDZZUMXGU-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC12CCC2)OCCN 2293043870 HTUGCIRFLXKDGD-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCCN)[C@H]1CCC[C@@H](C)C1 2293111413 LXHFVIQKYMRBKU-OWSLCNJRSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@H](OCCCN)C1CCC(CC)CC1 2293291583 IWGSUVYSTYJHNQ-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCC[C@H](C(C)C)C1 2293349622 SUNUHCDEQAIAJJ-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCN)C1CCC2(CC1)CC2 2293663645 NVVMQHDLSPEQPO-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)CC1CCCC1 2295212677 VSXYIAFYBAIJDW-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCn1c(C(=O)O)cc2cc(C)ccc21 2295330912 BKMUNERDLYNGCQ-UHFFFAOYSA-N 273.376 4.618 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@@H]1CC12CC2 2295600491 CUFDELMNZHPYHY-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCN(C)C1(C)C 2295676708 NNNWULKNPNIEMS-DLBZAZTESA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C(C)=C(C)C 2295684395 LQENXLYBOPXDMM-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCOc1ccc(C(=O)C=Cc2ccc(F)cc2)cc1 2295967829 ABXQUDPUWQAWCS-UHFFFAOYSA-N 284.330 4.511 30 10 CJEE CC#CCOCCCCCCCCCCCNCCC 2296262127 RKGFXJOFWYRWJJ-UHFFFAOYSA-N 281.484 4.537 30 10 CJEE Cc1ncccc1C=CC(=O)c1ccc(-c2ccccc2)o1 2299715552 NMIYFYDXCLTLDM-UHFFFAOYSA-N 289.334 4.546 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(Cl)cc1CC 2304115276 MKIJGQNQOSOIQB-CQSZACIVSA-N 252.785 4.538 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(Cl)cc1F 2313644661 JUINBJHDUODARS-LLVKDONJSA-N 267.775 4.651 30 10 CJEE C=CC[C@@H](C)Sc1c(Cl)cccc1CNC1CC1 2313694906 IZBWYNHABJRFQS-LLVKDONJSA-N 281.852 4.649 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@@H](SC)C1 2314270153 VFSOYPCPEJWJPX-XHSDSOJGSA-N 269.498 4.633 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1C[C@H]1CCC)NCC 2321097523 BTIYIEOXYPGTCI-LTIDMASMSA-N 251.458 4.783 30 10 CJEE CC1CCC(C=O)(CCC2(C(F)(F)F)CC2)CC1 2321658301 AWDPCTHJONOJAI-UHFFFAOYSA-N 262.315 4.505 30 10 CJEE N#Cc1cc(Cl)ccc1NC(CC1CC1)CC1CC1 2335159525 JJUVYLGCQDDMJU-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC2CCC2)cc1C 2335247802 INNRYUJMWNFZEN-CQSZACIVSA-N 275.461 4.694 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc(Cl)ccc1Cl 2337433138 XYNOYKYWMIKCFB-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE C=CC(C)(C)COCCCCCCCN[C@H](C)CC 2337977043 XAHYTMMVUPYPKT-MRXNPFEDSA-N 269.473 4.554 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc(F)ccc1C(F)F 2338243590 IXQICPIUVGXUPY-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CCCC1(F)F)NCC 2338739298 UPCYENMJYAAWSH-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1CC(C(C)C)C1 2338750935 XOHLWVOPKWQEPL-ABHNRTSZSA-N 263.469 4.805 30 10 CJEE CC(C)(C)[C@H](CS)COC[C@H]1C[C@H]2CCC[C@H]1CC2 2338917328 DGGLESIXJBEOQY-JONQDZQNSA-N 284.509 4.812 30 10 CJEE C#CCCCCC[C@@H](CCC1=CCCCC1)NCC 2340216127 IMOYHDKNEKWTIX-SFHVURJKSA-N 261.453 4.829 30 10 CJEE C=CCC(C)(C)CO[C@@H](C)CCCCNC(C)(C)C 2340376318 IWWSKMKAXGASBX-HNNXBMFYSA-N 269.473 4.552 30 10 CJEE CCCCC#CC[C@H](CCC[C@H]1C[C@H]1C)NCCC 2341489444 NZXWOFYEYFFXOS-FGTMMUONSA-N 263.469 4.765 30 10 CJEE C=C(CC)CNC[C@@H](c1ccccc1)C1CCCC1 2342484742 FJTBHMNGEYHMEV-SFHVURJKSA-N 257.421 4.516 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(C#N)cc1Cl 2343118906 XIBHDEZBCCZHOY-QWHCGFSZSA-N 276.811 4.696 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(C)cc(C)cc1F 2344349463 STSIJOWUXIVMSV-SJORKVTESA-N 263.400 4.695 30 10 CJEE CN[C@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cc(C)cc1Cl 2353060142 XTRBCDWGGZVEPS-BXUZGUMPSA-N 296.241 4.612 30 10 CJEE CCC1(CC)CC(Nc2ccc(C#N)c(SC)c2)C1 2353828197 PBZGUAPXPSHDGO-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]2CC[C@H]1O2 2358321852 GEUDBEXMTKKMDE-XLAORIBOSA-N 280.452 4.612 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@@H](C)CC1CCC1 2360324321 OYAZEZXLKVQLOK-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14458309 PYGSQIYNWCXQEZ-ZWOKBUDYSA-N 286.378 4.693 30 10 CJEE CC(C)(C)c1cc(SCC#N)cc(C(C)(C)C)c1O 34498450 GIXSYNCZSZFLTG-UHFFFAOYSA-N 277.433 4.603 30 10 CJEE N#Cc1ccc(Sc2ccc3ccccc3c2)cc1 35121855 QWKXDQWTAPQWNF-UHFFFAOYSA-N 261.349 4.863 30 10 CJEE C#Cc1cccc(N[C@H](CC)c2ccc(CC)cc2)c1 37223539 PCCBYTRQKGFNOU-LJQANCHMSA-N 263.384 4.794 30 10 CJEE C=C[C@@H](C)N(Sc1ccccc1)C(=O)OC(C)(C)C 38956732 RMWZTYCIXUVINA-GFCCVEGCSA-N 279.405 4.505 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCCc2sccc21 61326232 LVBBYSDKVYJBTF-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2F)C1 62014276 KDCTVHVZHTWIKV-OIPACUDHSA-N 288.410 4.537 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1SC1CCCC1 62829621 KUCYGXDIHOCYOU-UHFFFAOYSA-N 271.307 4.612 30 10 CJEE CCc1oc(-c2ccc(C(C)C)cc2)cc1CC#N 77076184 HSXSXMUXVVIYCZ-UHFFFAOYSA-N 253.345 4.698 30 10 CJEE CSc1ccc(C(=O)[C@H](C#N)c2ccc(C)c(C)c2)cc1 92214255 QHAIRBYAYQFOQI-QGZVFWFLSA-N 295.407 4.515 30 10 CJEE C=C(CC)C[C@H](NCC)C1CCC(CCC)CC1 97208877 INKWERGAISCYEU-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC(=O)Nc1cc(C)ccn1 105484532 BUXNNFRCIHUKLR-UHFFFAOYSA-N 276.424 4.859 30 10 CJEE CCCCCCCOC[C@@H](O)c1ccc(C(C)C)cc1 110022400 PRLNGQSZOZGAFM-GOSISDBHSA-N 278.436 4.830 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@@H]1CO 110048646 YASZDVVKVPGBKE-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CCCCCCC[C@]1(CNCC)C[C@H]2CC[C@@H]1C2 110195446 RSCNUJCLINTRRB-GVDBMIGSSA-N 251.458 4.763 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](C)C#N 110246819 RGDXTECTXZCVMM-KRWDZBQOSA-N 266.473 4.999 30 10 CJEE C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1 111188158 KFYYXIBJYHQISC-AWEZNQCLSA-N 282.412 4.693 30 10 CJEE CCCCCCCCN1CC[C@@H](NCC)c2ccccc21 114430168 VPDPIVBWTRQKBI-GOSISDBHSA-N 288.479 4.908 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(C(C)(C)C)cc1 124701908 UWYQKMVZOZNINO-SFHVURJKSA-N 271.448 4.828 30 10 CJEE CCCC[C@H](CC)CNc1cc(C#N)ccc1Cl 125777881 BXOUNCVPAHMKDI-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE CCCCCCCCNCc1cc(Cl)cs1 126797122 JHWNZXNMVRZISK-UHFFFAOYSA-N 259.846 4.852 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1cccc(SC)c1C#N 127017521 OSVJADUQGMDMTI-OCCSQVGLSA-N 274.433 4.661 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)N2CCCCCC2)CC1 130177773 XFGKICHRRDRICY-OFLPRAFFSA-N 276.468 4.607 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 130958123 WCYOVWFJHBPMGY-MNOVXSKESA-N 284.325 4.814 30 10 CJEE C=C(CNCC(C)(C)CCCCC)c1ccccc1 134369179 JJXJTIUGROVMSV-UHFFFAOYSA-N 259.437 4.896 30 10 CJEE CCCCCCCCN[C@H]1C[C@H](OCC)C12CCCC2 159205693 GZZGSABVAKMDDK-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE N#Cc1cc(NCc2ccc(Cl)cc2F)ccc1Cl 160707227 NHRVRXNUILALAX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCC[C@@]1(CO)CCO[C@H]1C1CC1 166556740 WUJVWJQPGRBPIR-ROUUACIJSA-N 282.468 4.695 30 10 CJEE C=CCC[C@@H](NCC)c1cc2ccc(F)cc2s1 167803207 BZABTXATTYCCQL-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE COc1ccc(C#Cc2ccc(-c3ccccc3)s2)cc1 197005166 WSMXOEPBYQSJMO-UHFFFAOYSA-N 290.387 4.824 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CC[C@@H](C)O1 229030737 HSQXNKJNJUFYJK-IXDOHACOSA-N 269.473 4.673 30 10 CJEE C=CCSc1ccccc1N[C@H](C)CC1CCC1 229690087 OXFVSCDJCXAODF-CYBMUJFWSA-N 261.434 4.955 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCCc2cccnc21 229782998 XKSOEKXXZNTDAH-ZWKOTPCHSA-N 288.479 4.840 30 10 CJEE CCCCCCCC[C@@H](CCC(C)(C)OC)NCC 231017835 QLFLGFXSXAYYHJ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@H](COCC(F)(F)F)NCC 232357934 MOPCNSZLBODGFZ-CQSZACIVSA-N 297.405 4.684 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](O)C1CC1 232928101 RHDSHDJZZLSYCR-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=CCCCCC[C@@H](O)CSc1cccc(C)c1 235802372 MDIWZQZVKJIPMU-OAHLLOKOSA-N 264.434 4.585 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1[C@@H](C)CC 250823009 MFQARNYAZIYLRT-HCXYKTFWSA-N 296.543 4.691 30 10 CJEE N#CC[C@H](c1cc(Br)ccc1Cl)C1CC1 260079124 AXEAYGHLQUNMRH-JTQLQIEISA-N 284.584 4.510 30 10 CJEE C=CCC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307882258 MIRBTJQRYIYMTO-ZDUSSCGKSA-N 259.176 4.557 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H]1CCCC(F)(F)C1 311137388 BEUXHPYDGKWDMY-GJZGRUSLSA-N 273.411 4.640 30 10 CJEE COc1ccc(Cl)cc1CC1(C=O)CCCCCCC1 316876290 VCJNMSKYJYOTIA-UHFFFAOYSA-N 294.822 4.821 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCC[C@@H](C)C1 317193965 XQODRMJWEXXFCZ-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CC)c2ccsc2)CC1 382115039 LNQKYWDJTOHEFM-BDVYOWHSSA-N 291.460 4.846 30 10 CJEE CC[C@H](/N=C1/N[C@@H](C2CCCCC2)CS1)C1CCCC1 382869306 PDXKDADIOKAXCC-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(Cl)cc1Cl 393802979 NDWBAENFGUGPCX-JQWIXIFHSA-N 272.219 4.999 30 10 CJEE CCCCN(C[C@@H](C#N)C1CCCC1)c1ccccc1 397301337 LOJXDBFHSBGTEN-QGZVFWFLSA-N 270.420 4.623 30 10 CJEE CCCCCCCCCCCCNCc1cnc(C)o1 398025625 YFOVHHNJWDKRRD-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE CCCCCCCC[C@@]1(O)CC[C@H]2C[C@H]1C2(C)C 400392917 DGIVUJXBYQFVSN-YQQAZPJKSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CCOC1)NCCC 400993735 AZMCXUJXGAJMDO-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=C[C@H](CC(=O)N1CCC(C(C)(C)C)CC1)c1ccccc1 530467585 ISMIKUICIDZGQQ-MRXNPFEDSA-N 299.458 4.631 30 10 CJEE CCCCCCCC/N=C1/NC2(CCCC2)CCS1 687319017 RVHACHBNLMJUPA-UHFFFAOYSA-N 282.497 4.742 30 10 CJEE CCCCCCCCCC[C@](C)(O)C[C@@H]1CCCO1 689776495 FUFQLWCUPYQECA-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CC12CCOCC2 690034132 RCSMMCPWFMEFBT-DLBZAZTESA-N 281.484 4.532 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(C#N)NC1CCCCCC1 691092839 ZWBDAKUVGILPMR-QZTJIDSGSA-N 276.468 4.797 30 10 CJEE CCc1ccc(N=C2N[C@@H](CC)[C@@H](CC)S2)cc1Cl 691292451 MLGHJUMRIBCYFK-UONOGXRCSA-N 296.867 4.784 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CNc2ccc(Cl)cc2C#N)C1 695262628 ASNNOJYMEBATHA-ITGUQSILSA-N 276.811 4.696 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@@H]1CCCC[C@H]1C1CC1 695870262 HFHRVDVNHRFAJL-XJKSGUPXSA-N 288.822 4.617 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2ccncc2c1 702701193 XOHNRUQZKIEABE-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE CC(C)(C#N)CCCCNCCCC1CCCCC1 703382631 PTKKWSSLRJOEFH-UHFFFAOYSA-N 264.457 4.657 30 10 CJEE C[C@H]1C[C@@H](NCCCCC(C)(C)C#N)CC(C)(C)C1 708352141 FAIIQMNJCSEHME-LSDHHAIUSA-N 264.457 4.511 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2cc(Cl)ccc2C)C1 710736339 DIRREMABONWOBU-KBRIMQKVSA-N 293.838 4.556 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C(CC)(CC)c1ccccc1 715749212 MLCIEJUYIORILV-FUHWJXTLSA-N 273.464 4.935 30 10 CJEE C=CC[C@H](C)[C@@H](CCc1ccc(C)cc1)NCCC 715794809 AHUCUDRINCIOAI-FUHWJXTLSA-N 259.437 4.508 30 10 CJEE CCCCCCCCC[C@]1(N)COC[C@@H]1CC(C)C 716263260 XTQSPDPSQNVQEW-IRXDYDNUSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](N)C1CCC(SC)CC1 720488477 IOAHWABVNSWYFU-YMAMQOFZSA-N 257.487 4.596 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CC(C3CC3)C2)CC1 724598495 BQAGAYMODWSGHI-ABHNRTSZSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCN[C@@H](CCO)C1CCCC1 725084288 DYWJJSSVWDIAOM-SFHVURJKSA-N 283.500 4.658 30 10 CJEE N#Cc1csc2c(OC(F)(F)F)ccc(C(F)F)c12 725291612 VBQWDJYSRHSUQY-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=C(Cl)CSCc1nc(-c2ccsc2)oc1C 726796696 LBRIAYARRFGWAZ-UHFFFAOYSA-N 285.821 4.697 30 10 CJEE C=CC[C@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 800408325 PZJNGJZFWPWVCY-GJZGRUSLSA-N 294.341 4.673 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1Cc1ccccc1 1124609022 GUXNVZAYEVWXTR-INIZCTEOSA-N 293.410 4.818 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cc2ccccc2o1 1128215812 FSYLSDBZJDCTSH-SJCJKPOMSA-N 272.344 4.639 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C(C)(C)C)s1 1128844646 FCGCMYLKGYYCET-UHFFFAOYSA-N 293.476 4.912 30 10 CJEE C=C(C)CCC(=O)NCc1ccc(C2CCCCC2)cc1 1129180229 CRJWJWVLXSQTDG-UHFFFAOYSA-N 285.431 4.707 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccccc1-c1ccccc1 1129234629 VDXBILFXHQZEQD-UHFFFAOYSA-N 293.410 4.686 30 10 CJEE C=C[C@H](OC(=O)c1ccc(CC(C)C)cc1)c1ccccc1 1130934491 OLASUIGCNADJKJ-IBGZPJMESA-N 294.394 4.969 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)Cc1ccccc1C 1134515844 VJVCBBZSIYSESG-HKUYNNGSSA-N 299.458 4.521 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1 1135880929 FUNWCJPVMPZXNH-HNNXBMFYSA-N 285.774 4.557 30 10 CJEE C=CCCOc1c(Cl)ccc(Cl)c1Br 1166055822 BFUXDROUIVPOPL-UHFFFAOYSA-N 295.991 4.711 30 10 CJEE C#CCCCCCCN1CC[C@@H]1c1ccc(Cl)cc1 1170205939 OJRZBUDLNZTEFG-QGZVFWFLSA-N 275.823 4.671 30 10 CJEE C#Cc1ccc(N[C@H](CC)[C@@H]2CC2(C)C)c(Cl)c1 1184097446 IKMJSFCSTHTGOW-GXTWGEPZSA-N 261.796 4.558 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCCC[C@H]1C 1202664176 AHYJRKFKYLBUPG-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=CCCC(C)(C)CNCc1c(OC)ccc2ccccc12 1203340041 SUNSAGCGPFVPDW-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C=CC[C@@H]1N(Cc2c(C)cc(C#N)cc2C)CCCC1(C)C 1307728458 BWZWTMDZYOVAIH-IBGZPJMESA-N 296.458 4.742 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2csc3ccccc23)C1 1308201847 CPSUYYRULINHGS-DZGCQCFKSA-N 271.429 4.736 30 10 CJEE C=C1CCC(C(=O)N(C)c2cc(Cl)cc(Cl)c2)CC1 1353354812 XPSIPEXFNZFUIE-UHFFFAOYSA-N 298.213 4.703 30 10 CJEE C#Cc1cccc(N(C(=O)C[C@@H]2CCCC[C@@H]2C)C(C)C)c1 1358268035 RTHJXVQCULYCCH-WMZOPIPTSA-N 297.442 4.626 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 1358386745 VCHBBUCYQSMDLB-MSOLQXFVSA-N 299.458 4.506 30 10 CJEE C=C(C)CN(CCC)[C@H](C)c1cc2ccccc2o1 1459344237 LLUFAEUFVRRXAB-CQSZACIVSA-N 257.377 4.782 30 10 CJEE C=C(CC)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 1459564986 QLGQPRQNHIHIMM-MSOLQXFVSA-N 257.421 4.529 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(-c3ccco3)cc2F)C1 1461485202 VSSLGEUOUSLSQI-RHSMWYFYSA-N 299.389 4.920 30 10 CJEE C=C[C@H](OC(=O)c1cc(Cl)ccc1C)c1ccccc1 1461548737 KAENSSQZKPKFNJ-INIZCTEOSA-N 286.758 4.733 30 10 CJEE C=CCC1(CN[C@H](CC)Cc2cccs2)CCCC1 1462232058 MSXHNVAHUCOSNB-OAHLLOKOSA-N 277.477 4.795 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2CC)c1 1463260004 ZAJHUNGKEGQAIH-UHFFFAOYSA-N 265.356 4.534 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](CC)c1ccc(F)cc1F 1473455208 XVSGWCLBMFXQEV-IBGZPJMESA-N 299.364 4.551 30 10 CJEE C=CCC1(NC[C@H](C)CC(C)(C)C)CCCCC1 1473719374 HXDPZNMEMQEKBE-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CCCCCCCNCc1cc(C)cc(Br)c1 1473915673 GXHBCJZYJMPXEH-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE C=CCC1(NC(=O)[C@@H](C)Cc2ccccc2C)CCCCC1 1526049643 WMUZKVXFZUBLBK-KRWDZBQOSA-N 299.458 4.569 30 10 CJEE C=CC1(CC(=O)N[C@H](C)C2CCCCC2)CCCCC1 1529667408 YJIRUQGODSJSNZ-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H](C(=O)OCc1cccc(CC)c1)c1ccccc1 1530304014 ZOJJYKHDYQNWEY-LJQANCHMSA-N 294.394 4.652 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1 1531922717 DNRRFJMLZNGRAY-CJNGLKHVSA-N 291.822 4.513 30 10 CJEE C=CCCCCCCCNC(=O)c1ccccc1C1(C)CC1 1535059339 VXDVQPNJTBLEOF-UHFFFAOYSA-N 299.458 4.995 30 10 CJEE C=CCC1(CNC(=O)C(C)(C)Cc2ccccc2)CCCC1 1540084428 DGKHSCUQOJISTG-UHFFFAOYSA-N 299.458 4.508 30 10 CJEE CCCCCCCCCCN1CCS[C@H](C)C1 1560091561 MEHRIAVDFDSRQT-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C#Cc1ccc(NCc2ccc(C(F)(F)F)c(C)c2)cc1 1560612853 AYYGEPRAHINYRO-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C=C(C)c1cccc(NC(=O)NCCC[C@H]2C=CCC2)c1 1563363845 FHXAIIKUJFUNOZ-HNNXBMFYSA-N 284.403 4.588 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1596545444 IKYSDQYMHACKLS-CJNGLKHVSA-N 291.822 4.606 30 10 CJEE C#CC1CCN(C(=O)C[C@@H](C)CCCCCCCC)CC1 1611013023 IJDUEXHQFIPUGQ-KRWDZBQOSA-N 291.479 4.635 30 10 CJEE Cc1ccc(C#Cc2ccc(C(C)(C)C)cc2)c(F)c1 1614826997 YDBAVOMRDYCVTP-UHFFFAOYSA-N 266.359 4.831 30 10 CJEE C=CC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1617573276 YWKOIORTVHQNJW-JQHSSLGASA-N 299.458 4.677 30 10 CJEE C=C(C)CCNC(=O)Nc1cccc(Oc2ccccc2)c1 1622973746 YHHMDJSZRMCTMS-UHFFFAOYSA-N 296.370 4.567 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@](C)(c2ccccc2)CC1 1623836385 WDRQWTNIDJNLLL-FQEVSTJZSA-N 299.458 4.559 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](CC)CCCCCC)cc1 1627495457 NKSMJECFPDAGGM-INIZCTEOSA-N 271.404 4.603 30 10 CJEE C=CCN(CCc1ccccc1)Cc1sccc1Cl 1641656931 QIYZZCMIRZCVRK-UHFFFAOYSA-N 291.847 4.632 30 10 CJEE C=CCCCCN(C1CC1)[C@H]1CCCc2ccccc21 1642056584 OVCZRCRGDPZKDB-IBGZPJMESA-N 269.432 4.885 30 10 CJEE C#CCCCCCCOc1cc(C(F)(F)F)ccc1F 1644011927 FRNSEIIVRYGRIO-UHFFFAOYSA-N 288.284 4.807 30 10 CJEE C#CCCCCCCN[C@H](CC)C(C)(C)c1ccccc1 1645044771 PTBBPFCMHIJZHY-LJQANCHMSA-N 285.475 4.916 30 10 CJEE C=C(C)CCN1C[C@@H](C(C)(C)C)Cc2ccccc21 1648020494 ULUPJPNBUIZFRZ-INIZCTEOSA-N 257.421 4.678 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(F)cc2OC(C)C)C1 1652024927 KSFFRNQWIFQUMG-UKRRQHHQSA-N 277.383 4.770 30 10 CJEE C=CCCCCN(CC)Cc1ccc(Cl)cc1 1653245758 ZPROGQDOAATGNJ-UHFFFAOYSA-N 251.801 4.518 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H](C)C(C)(C)C 1653368098 XHSGMIXQCARQOK-HNNXBMFYSA-N 251.458 4.737 30 10 CJEE C#CCN(C[C@H](C)CC(C)C)[C@H]1CCCc2ccccc21 1655692059 BSDVJGQBIKTRQM-XLIONFOSSA-N 283.459 4.681 30 10 CJEE C[C@H](CCC#N)CN1CCC[C@@H](CCCc2ccccc2)C1 1658502259 BKBDJAKVCDRSLH-UYAOXDASSA-N 298.474 4.661 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@H](CC)CC1)c1ccc(Cl)cc1 1659355377 SVHHUBJGEGJNKS-WBAXXEDZSA-N 289.850 4.963 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1C[C@H]1c1ccccc1 1660120540 ASYRMDFLMOSBOJ-WDSOQIARSA-N 271.448 4.905 30 10 CJEE C=CCCC(C)(C)CNCCSCc1ccccc1 1660458878 VLMRZTTWSVPXQI-UHFFFAOYSA-N 277.477 4.502 30 10 CJEE C=CC(C)(C)CCCNCc1ccccc1CC(F)(F)F 1663203478 DGLRLBAYRLMNBE-UHFFFAOYSA-N 299.380 4.873 30 10 CJEE C#C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccc(Cl)cc1F 1664685762 GQQMHSGYJMVCCF-GNNTXSLPSA-N 293.813 4.568 30 10 CJEE C=CC[C@H]1N(C(=O)N[C@@H](C)CCCCC)CCCC1(C)C 1674067679 VLDMYPNAECXQJY-JKSUJKDBSA-N 294.483 4.732 30 10 CJEE C=CC(C)(C)CNC(=O)N(CCCC)[C@H](C)CCCC 1686493690 WWQMJIBPDHOZPE-OAHLLOKOSA-N 282.472 4.589 30 10 CJEE CC1(C)CCC2(CC1)CC(OC[C@@H](CS)C1CC1)C2 1878981047 HCUZRRGRVYKKPM-AWEZNQCLSA-N 282.493 4.708 30 10 CJEE CC=C(CC)C(=O)c1ccc(-c2ccccc2)cc1 1882318022 IDAKQOPRRHFYQK-UHFFFAOYSA-N 250.341 4.893 30 10 CJEE CCCCCCCCCCN(C)C1(C)CCOCC1 1883846672 KGQNINJGWIJNGX-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE CC#CCCCC[C@@H](CC1CC2(CCC2)C1)NCC 1885236158 KGYBOYYUEKPULW-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)C1CCC(CC)CC1 1888711842 NBRMVWKCYMLRPK-VJFUWPCTSA-N 257.421 4.634 30 10 CJEE CCN[C@H](C)c1ccc(-c2ccc(Cl)c(C#N)c2)s1 1893231884 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C=CC[C@@H](C)C(=O)C1CC2(CC(OCc3ccccc3)C2)C1 1958664915 FDCPUWCCRZNWCR-WIOLVWRCSA-N 298.426 4.543 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCCC[C@H]2C#N)CC1 1962811418 BUHVYXWUKZRUCE-YVSFHVDLSA-N 276.468 4.653 30 10 CJEE CCCCCCCCCN(C)[C@H](C)c1nccs1 1963223525 YFIAVLXUGRUQHA-CQSZACIVSA-N 268.470 4.887 30 10 CJEE Cc1cccc(C(=O)C2=CC[C@H](C)CC2)c1Br 2010607938 FDVGQVKCXUXEOT-JTQLQIEISA-N 293.204 4.687 30 10 CJEE CC[C@](C=O)(C(C)C)[C@H](C)c1ccc(Br)cc1 2012419472 OPUMLJXTQGLPBB-DOMZBBRYSA-N 297.236 4.804 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC2(C)C)cc1Br 2014846702 PUXWZMBGOALSJU-OAHLLOKOSA-N 292.220 4.630 30 10 CJEE CCCCCC#CCN[C@@H](C)c1ccc(Cl)s1 2024347076 MGZBORLVHAGAFY-LBPRGKRZSA-N 269.841 4.636 30 10 CJEE CCCCCC#CCNc1ccc(Cl)cc1Cl 2024347694 SWIBCCZDYSIEPJ-UHFFFAOYSA-N 270.203 4.989 30 10 CJEE C=CCCCCCC[C@H](CCSCC)NCC 2026012187 KPLYWZQRSGSKKQ-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2CCC[C@H]21 2028769637 ACCSNJPJVHMBLN-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE 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30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1ccc(C(F)(F)F)s1 2260224892 VJRVLQCZIUVCJO-UWVGGRQHSA-N 277.355 4.630 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C(C)C 2263069981 GAQCXAYZDGIERX-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE Cc1cc(C(F)(F)F)sc1C(=O)C=C1CCCC1 2263309685 ISQKMQHVDKUFEK-UHFFFAOYSA-N 274.307 4.758 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1cc(C)c(C#N)c(C)c1 2265858216 CQVMFCGKHZGSBV-DOMZBBRYSA-N 258.409 4.802 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)C(C)(C)C 2268737829 HQYVJPRGLRMSRB-CVEARBPZSA-N 263.469 4.643 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)C(C)(C)C 2268815703 JNOINOHAOMUMMN-HNNXBMFYSA-N 263.469 4.643 30 10 CJEE C=C[C@H](C)Oc1cc(C)c(Cl)cc1[C@H](C)NCCC 2270940586 UCKATSXWRSHCLT-STQMWFEESA-N 281.827 4.662 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1csc(C(F)F)n1 2271832522 BMGVBTLPGSAIKQ-LLVKDONJSA-N 288.407 4.868 30 10 CJEE CCCCCCCCC[C@](C)(N)CC[C@@H](C)COC 2278167952 ZATANNKAAWDNRT-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCSc1cc(C#N)c2ccccc2n1 2278312846 XFOWOGDSVSKUOY-UHFFFAOYSA-N 270.401 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CFYIBICBXCIVAD-SOLBZPMBSA-N 257.421 4.699 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1 2337108209 CJFXVZHASRFCQH-BRWVUGGUSA-N 261.453 4.824 30 10 CJEE C=CCCCCCCC[C@](N)(CC)[C@@H]1CCCCO1 2337300640 DZVPLSHZECBKQA-DLBZAZTESA-N 267.457 4.580 30 10 CJEE C#CCN(Cc1ccc(Cl)c(Cl)c1C)C1CCCC1 2338674366 QKGKJQZHJQHAPB-UHFFFAOYSA-N 296.241 4.680 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C1CC2(C1)CC(C)(C)C2 2338731844 DLGKGLFYSXCPGR-MRXNPFEDSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CCCC12CC2)NCC 2338748698 ZYEDYELAOSVYGT-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H](CCC)CC1 2338792521 KBSYJWXSQANAOI-MSOLQXFVSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCC[C@H](O)C#C[C@H]1CC1(F)F 2341014961 MBIQBMGEVUQMQU-GJZGRUSLSA-N 272.379 4.537 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2343370530 CXKOCOPLBBCVEI-IVSAIRAKSA-N 263.425 4.548 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(F)ccc(F)c1Cl 2344373824 CYJHPIAVMKBPOW-LSDHHAIUSA-N 287.781 4.871 30 10 CJEE C=CCC(C)(C)[C@H](CC1C2(CCC2)C12CCC2)NC 2344383626 SRWSWOYFTFSSJU-HNNXBMFYSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(C(C)C)C(C)C)NN 2344473792 MUDDVUWHQGTONH-IRXDYDNUSA-N 268.489 4.519 30 10 CJEE CC1(C)CC[C@@H](CCNc2ccc(Cl)c(C#N)c2)C1 2344850888 HDPXIUAUPFVRGO-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE C=C1CC(CC[C@H]2CCC(C)(C)C2)(CNC2CC2)C1 2344862070 NVUUGLIHIXKGSG-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H](C)C1CCC(C)CC1 2353851059 YUBLTYSMVHALIQ-GMRIPVOYSA-N 285.541 4.725 30 10 CJEE N#Cc1ccc(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)c(Cl)c1 2354890126 IFRSXXZHXFYXHG-ZQIUZPCESA-N 288.822 4.982 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2OC 2358948705 ZQXBLYLGNMZPEE-ICUGJSFKSA-N 281.484 4.529 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@H]1CC12CCC2 2360205975 RUWDAWYQEXOUAX-SJORKVTESA-N 293.520 4.799 30 10 CJEE Cc1cccc(C2CC(Nc3ccc(Cl)c(C#N)c3)C2)c1 36973422 URGRBHFTFUDCJK-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE Cc1ccc(Cl)cc1N[C@@H](CC#N)c1ccccc1 55014771 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4.885 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2c(c1)CC(C)(C)O2 109791794 AUUUJXLZAIQSNT-MRXNPFEDSA-N 276.420 4.794 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccc(F)c(C#N)c1 109947750 VSHNQPSFIODOIN-ISTRZQFTSA-N 274.383 4.570 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@]1(C#N)Nc1ccccc1F 110029081 PRWLENJQLIMKGF-JJRVBVJISA-N 274.383 4.592 30 10 CJEE CCCCCCCCCCCCN1CCN[C@](C)(CC)C1 114054927 VAXUMWKAYZWJOS-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCN1C[C@@H](CCC)NCC12CCCCC2 114059604 ZFULQODGRWSASU-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(Br)o1 114509891 VQONGGQYQQXIKT-LLVKDONJSA-N 289.213 4.826 30 10 CJEE CCCCCCC[C@@H](O)c1ccnc2ccccc12 115834392 ZBXAVMOPGZIGAB-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCc1nnc([C@@H](CC)NCCC)o1 115862087 GBNNGNMVIGDVRK-OAHLLOKOSA-N 295.471 4.813 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](C)c1ccncc1 117684576 MVBGDBHKLJIFRN-AEFFLSMTSA-N 276.468 4.914 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C(C)(C)OC 118396172 VBSZSGVLSHRGQL-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CCO)C1 124313370 PCORVBWCTLXHNW-SFHVURJKSA-N 283.500 4.612 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(Br)c(C)c1 125678886 MXWOPLZAHNRYPK-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCC[C@H](Cc1cccs1)NN 125972862 QXIRXAOCPKJFCG-OAHLLOKOSA-N 282.497 4.653 30 10 CJEE Cc1cc(Cl)c(NCc2ccc(C#N)cc2)cc1Cl 128100333 VBNHNPMVZFJJRI-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C#CC[C@@H](CC)N[C@@H](c1ccccc1)C1CCCCC1 129811980 WKVCGBHNTFXRQO-MOPGFXCFSA-N 269.432 4.700 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(C)c(Br)c1 132000930 LVSWBMPITNBIHT-LLVKDONJSA-N 268.198 4.524 30 10 CJEE CCCCCCCCNC1CC(C)(C)N(C)C(C)(C)C1 138504022 YHRKUPVJULZTKN-UHFFFAOYSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)COC)NCC 139438584 PNNXPQIOOJMVKU-SJORKVTESA-N 271.489 4.778 30 10 CJEE Oc1c(/C=N/c2ccccc2)cccc1-c1ccccc1 143923783 MGJVMUNYZTUORQ-XSFVSMFZSA-N 273.335 4.810 30 10 CJEE C=CCCC[C@@H]1CCCCC[C@@H]1CNCC(C)C 155867662 YFKSYUYARKHDRY-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](NC)C1(OCC)CCCC1 164747181 COGYPROOATUTPD-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC(=O)Cc1ncc(C)c(OC)c1C 164974399 QBXKVXZBHGYQIX-UHFFFAOYSA-N 291.435 4.569 30 10 CJEE C#CCC[C@@H](NCCC)C1CCC(CCCC)CC1 165984335 USDIIUWGNXPYOZ-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CCC[C@@H](NCCC)C1(OCC)CCC(C)(C)CC1 166727212 RUTYKJZNWRMNNY-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE N#C[C@H](Sc1cccc(Br)c1)C1CCCC1 167880165 ZSMYJSYCKULSMI-ZDUSSCGKSA-N 296.233 4.624 30 10 CJEE CCCCCCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 206618150 DUSNZVOKUGGFJI-UHFFFAOYSA-N 293.363 4.641 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C#N)cc1F 227112978 BSVDRDFTZQQIFT-MRRJBJDNSA-N 274.383 4.570 30 10 CJEE C=CCCCCC[C@@H](CCc1ccccn1)NCCC 233124133 CAQCFVMDFRBGQR-KRWDZBQOSA-N 274.452 4.519 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(OCCC)c1 233245569 QWBBKSXITYXQJV-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCC[C@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 233345240 RJCRXNOVHURRGH-GXFFZTMASA-N 255.283 4.749 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(F)c1Cl 236303310 JRFRHNCXEOEYGH-ZDUSSCGKSA-N 255.764 4.615 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)ccc2Cl)CCCCC1 236536609 MNJCFTQUPFOUBM-ZDUSSCGKSA-N 284.186 4.501 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1NCCC 250830011 QHKYIDPISKXNLR-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ncco2)C1 300246873 OFQMDHPKLVCZOW-YNEHKIRRSA-N 278.421 4.511 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCO[C@H]1CC 300614255 TWKVXWGOWFVOQS-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 307943974 GGZRNPBZHGZWAH-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(F)ccc1Cl 311096766 PANRZTQWIFFJRK-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=C([C@H](NCCC)c1cc2ccccc2o1)C(F)(F)F 312249596 IVDJYSXWGIHGJN-AWEZNQCLSA-N 283.293 4.592 30 10 CJEE C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)c2ccccc21 312376095 MIHVQZSWODEKIG-GFCCVEGCSA-N 282.774 4.857 30 10 CJEE O=CC1([C@H]2C[C@H]2c2ccccc2)CCCCCCC1 316975000 IWXILMUXWQATGI-IRXDYDNUSA-N 256.389 4.720 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2)C1 317341723 ROUZFLHBDGHXFZ-CJNGLKHVSA-N 264.796 4.668 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC[C@H]2C)CC1 384756690 PHYFVXWRLMMGJF-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@H]1CCC2(CCCCC2)O1 384914800 YXWLXHAABRZHLL-BZUAXINKSA-N 261.409 4.588 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cccc(Cl)c1F 387449704 MQUMNZFOXBILIP-INIZCTEOSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCc1cc([C@H](N)C(C)C)on1 387592823 OTIBXZKDTFYKMO-MRXNPFEDSA-N 266.429 4.624 30 10 CJEE C=CCCCCCCn1c(S)nc2cc(C)ccc21 389289050 NCJVRVHREGCUIW-UHFFFAOYSA-N 274.433 4.770 30 10 CJEE CCCCCCCCCNC[C@H]1CCCC1(F)F 390839337 BZCAHPPGIDOGIG-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CC(C)[C@@H]1CCCCN1CC1(CS)CCCCCC1 395771426 UHWQTBZZLGDHBD-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](CC)CC(F)(F)F 402760539 YHXFRKSLKAASDZ-CHWSQXEVSA-N 267.379 4.914 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1c(Cl)ccc(C)c1C 434487025 AEXBQFQOQWCPQI-LBPRGKRZSA-N 294.826 4.823 30 10 CJEE 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ZPHTUKNJVUULSX-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE CC(C)CC1(C(=O)[C@H](C#N)c2cccc(F)c2)CCCC1 94902695 HICWHHDIQPVBGX-MRXNPFEDSA-N 287.378 4.608 30 10 CJEE CCCCCC(C)(C)CN[C@H]1CCCCC[C@H]1C#N 94987689 UJNIMABDDPUHTH-HOTGVXAUSA-N 264.457 4.655 30 10 CJEE CCCCCCCCCN(CCC(=O)O)c1ccccc1 103061589 ASWJMKNNISEKFX-UHFFFAOYSA-N 291.435 4.718 30 10 CJEE CCCCCCCSCc1ccccc1C(N)=S 104723851 XPXLWTRZHHACQI-UHFFFAOYSA-N 281.490 4.524 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@@H]1CCCN1 109687991 METQRINKOHJTAS-OALUTQOASA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccccc1OC 109706258 DQLDONGIYNMSKY-QGZVFWFLSA-N 263.425 4.620 30 10 CJEE C[C@H]1CCC[C@H](Sc2ccc(C#N)c(Cl)c2)C1 110354420 VEKKFBXHBXFSQR-JQWIXIFHSA-N 265.809 4.882 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(Br)c1 112885505 SDOXRNBLXWVDEB-CQSZACIVSA-N 285.225 4.843 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@@](C)(CC)C1 115653966 WRPSHZOMLNLFRO-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@@H](O)C1Cc2ccccc2C1 115842697 ZJPVUSWUYUVISP-LJQANCHMSA-N 274.448 4.903 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)c(C)cc1F 122078367 QPDGKBRMRGBZLB-INIZCTEOSA-N 269.379 4.894 30 10 CJEE CCCCCCCCCC[C@H](O)c1cn(C)nc1CC 125956862 FPSMVZDWILLZSL-KRWDZBQOSA-N 280.456 4.547 30 10 CJEE CCc1cccc(CC)c1Nc1c(F)cc(C#N)cc1F 127419125 HZBXJSHXIOCDPJ-UHFFFAOYSA-N 286.325 4.705 30 10 CJEE CCc1c(C#N)oc2c(C(C)C)cc(Br)cc12 136481836 IXZJLFXWFWESTR-UHFFFAOYSA-N 292.176 4.753 30 10 CJEE C=C(CNc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 148025340 VBXNUHRRJDQFMM-UHFFFAOYSA-N 295.279 4.970 30 10 CJEE C=CCCC[C@@H](NCC)C1(OCC)CCC(C)(C)CC1 166711285 ZBQSZEPDDFQCIR-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE C=CCCCC(=O)c1cccc(Br)c1Cl 168400136 PDCHWWIQPXLVMD-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCC[C@H](C)N1C[C@@H](CCN)c2ccccc21 216216285 OQBLSCYPCLXZSM-DLBZAZTESA-N 288.479 4.688 30 10 CJEE Cc1cccc(CS[C@@H]2C[C@@H](C)CC[C@H]2C#N)c1 227131614 KSODEZOYXYLRON-CWRNSKLLSA-N 259.418 4.557 30 10 CJEE CCCCCCCC[C@H](NCC)c1cncc(C)c1 229010601 REDBLYSJJBJFND-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C#N)c2ccccc12 232565944 WOCJCSVKJSONGY-CQSZACIVSA-N 266.388 4.948 30 10 CJEE CCCCCCCCCCNCc1cnn(CCC)c1 232951490 NQVOUYQXWBRBRY-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(c2ccccc2)CC1 233601043 SLWXWGHEINFTJC-GOSISDBHSA-N 271.448 4.833 30 10 CJEE Cc1ccsc1[C@H](C)Nc1ccc(C#N)cc1Cl 235515795 DYLNYXOIRWQPHW-JTQLQIEISA-N 276.792 4.755 30 10 CJEE Cc1ccc(CC(=O)C2=CCCCCCC2)cc1C 235875279 SMUOEVCFHRDVCZ-UHFFFAOYSA-N 256.389 4.696 30 10 CJEE C=CCCCCCn1cc(C=O)c2ccc(Cl)cc21 236046832 PCDSBNIUSINGIV-UHFFFAOYSA-N 275.779 4.854 30 10 CJEE CCCCCCC[C@@H]1C[C@H](CC)CC[C@H]1C(=O)O 250803135 DQLCHBVMAOCPKU-RBSFLKMASA-N 254.414 4.874 30 10 CJEE CCCCCCCCCCN(CC)[C@@H]1CCCC[C@H]1CN 250810565 HKOOHWJFWHEBKV-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCCC[C@H]1C(F)(F)F 252998678 OJQOBRCSLDWXFC-MCIONIFRSA-N 277.374 4.690 30 10 CJEE N#CC1(c2cccc(OCc3ccccc3)c2)CCCCC1 260808742 VNSQETHHKWPYPO-UHFFFAOYSA-N 291.394 4.991 30 10 CJEE CC#CCC[C@@H](NCCC)[C@@H](CCC)CC(C)C 308045974 GYBHNNXVSQYOME-DLBZAZTESA-N 251.458 4.621 30 10 CJEE CC(C)C[C@@H](C)C[C@]1(C#N)CCc2ccccc2C1 311297111 YFNRBGMUVVHKRV-CRAIPNDOSA-N 255.405 4.758 30 10 CJEE CCCCCCC[C@H](C)NCC1(OCC)CCCC1 311899897 PQIJIGRETOYKRW-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Cl)ccc1F 312290682 KLHHRZUHWQBKEH-MRXNPFEDSA-N 295.829 4.959 30 10 CJEE CCCCCCCCCC[C@@H]1COC(C)(C)[C@@H]1NCC 312590876 XMUUJNBOTSSNRC-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C([C@H](O)c1ccc(-c2ccccc2)cc1)C(F)(F)F 313015993 XBQNVNFQDBTEEJ-HNNXBMFYSA-N 278.273 4.506 30 10 CJEE O=CC1(Cc2cc(Cl)ccc2F)CCCCCC1 316613982 REOBFKACCKOCHZ-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CCC1CCC(C=O)(Cc2cc(Cl)ccc2F)CC1 316908054 VCAKBLQYEVCLRH-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@](C)(OC)c2ccccc2)C1 384916221 OZSIDFQONZZESO-KBAYOESNSA-N 271.404 4.658 30 10 CJEE C[C@]1(c2ccc(Cl)cc2Cl)CCC[C@@H](CC#N)O1 386465325 TXEXPDMKOTVVMY-SMDDNHRTSA-N 284.186 4.691 30 10 CJEE C=CC[C@H](CC)NCc1ccc(OCc2ccccc2)cc1 393804211 ODFJEBDEZODJEP-IBGZPJMESA-N 295.426 4.710 30 10 CJEE C[C@H]1CCCC[C@@H]1CNc1ccc(C(C)(C)C#N)cc1 394890323 VGCCNZYVJHDRGH-LSDHHAIUSA-N 270.420 4.726 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CO)[C@@H]1C 395231255 ZYMHMTLLXCTCAA-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H](C)C(C)C 399615597 JFXJGXLWRBFRMP-OAHLLOKOSA-N 273.530 4.727 30 10 CJEE C=CCCCCC[C@](C)(CNCC)c1ccccc1 405662457 UORBOJVWOCNBTK-GOSISDBHSA-N 259.437 4.690 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(C)c(F)cc1F 686697495 LVEWVPLSGFGCQA-KRWDZBQOSA-N 279.374 4.508 30 10 CJEE C#CCCCCC[C@]1(CNC(C)C)CCC[C@H](C)C1 686708354 AKKFBWMXIBQOGD-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CCCC1CCC(C#N)(CC[C@@H]2CCCCO2)CC1 688122013 YWTPKSFSGYHAOJ-CGZBRXJRSA-N 263.425 4.836 30 10 CJEE N#C[C@H](CNc1ccc(C2CC2)cc1)C1CCCCC1 690110729 NTFHDZACADERAO-QGZVFWFLSA-N 268.404 4.696 30 10 CJEE Cc1cc(NCc2ccc(CC#N)cc2)cc(C)c1Cl 690301579 OBCYSPOEVQKLRZ-UHFFFAOYSA-N 284.790 4.635 30 10 CJEE C=C[C@@](C)(CNCC(C)C)CC(C)(C)C(F)(F)CC 691044457 NKMQGQIRCFJEBK-OAHLLOKOSA-N 275.427 4.886 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cccc(C(F)(F)F)n1 692253199 PUCQTWTZVVIWQZ-VXGBXAGGSA-N 284.325 4.647 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C1CCC1 692701595 JKSKLJIHEAEKOX-GXSJLCMTSA-N 296.197 4.606 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2cscc2s1 694370545 NGIYVRIXNYUCOR-UHFFFAOYSA-N 262.399 4.585 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@]1(C)CCCN1 695288185 JBUPZTUVQIJXML-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)[C@@H](C)N 696943335 NGCYUURPVRWBBF-ZACQAIPSSA-N 271.489 4.642 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCCC[C@H]3C)C[C@@H](C1)C2 700367126 TZZRQEZRMAHLQU-WKUFJEKOSA-N 261.453 4.680 30 10 CJEE CCCCCCCNc1nc(Cl)nc2ccccc12 703778460 AELDLFGMAHERJT-UHFFFAOYSA-N 277.799 4.666 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(F)cc1Cl 704038357 NYFDKTNWOBULIP-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE CN(C[C@@H](C#N)C1CCCCC1)[C@H]1CCCC(C)(C)C1 708600387 KAGGMZQQENFPPA-SJORKVTESA-N 276.468 4.607 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)cc(Br)c1 715723775 ZJZCPBWJWJTXQZ-IUODEOHRSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 715795474 MJBMQSNVLJRMQG-NXOAAHMSSA-N 265.485 4.887 30 10 CJEE CCCCCCCC1(CNC(C)C)CC(F)(F)C1 720366901 MDDZRTQOHIXDII-UHFFFAOYSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724236707 TVZXKZWWQAIJTO-VSZNYVQBSA-N 283.500 4.919 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C(/C)C(C)(C)C 800156422 PQBXVXHUQKBUAN-YPKPFQOOSA-N 271.404 4.736 30 10 CJEE C/C(=C/C(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 817320165 ZBPZBVGPPQTRNW-NHRMXYMRSA-N 298.430 4.530 30 10 CJEE CCCCCCCCNc1nc(F)nc2ccccc12 829278134 CXXFTXGVJKJJEY-UHFFFAOYSA-N 275.371 4.541 30 10 CJEE CC#CCCCC(=O)O[C@H](C)c1oc2ccccc2c1C 1128067658 MLMPNYCCKKDCER-CQSZACIVSA-N 284.355 4.539 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(Cl)cs1 1129580074 FCYULRJMBFROMW-UHFFFAOYSA-N 285.840 4.658 30 10 CJEE C#CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)Cc1ccccc1 1170093471 AAXSMHXSUPABPA-RUYXUALKSA-N 283.459 4.584 30 10 CJEE C=CCC[C@H](CCC)NC[C@H]1CCCCC(F)(F)C1 1181946617 UIMXAHKWDINHPK-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C#Cc1ccc(N[C@H](C)CCCC(F)(F)F)c(Cl)c1 1184098348 WCUTZPVHMOKJAS-SNVBAGLBSA-N 289.728 4.854 30 10 CJEE C=CCn1c(SC/C(Cl)=C/Cl)nc2ccccc21 1188053652 PAFASBBAJROZTC-NTMALXAHSA-N 299.226 4.633 30 10 CJEE C=CCCCCN1c2ccccc2CC[C@@H]1CCC 1307557939 YLYFRKVKYDSDPR-KRWDZBQOSA-N 257.421 4.964 30 10 CJEE C=CCN(CCc1ccco1)C[C@H](C)C1CCCCC1 1307623010 XBJGZLFXLJBDOP-INIZCTEOSA-N 275.436 4.527 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1435913149 GNGSMHXWSLDOKU-IAGOWNOFSA-N 291.479 4.866 30 10 CJEE C=CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 1436166339 IBYPGWAUQJWGQG-MRXNPFEDSA-N 293.838 4.552 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(OC)cc1)C(C)C 1459863618 PDZTZMLDFMKNBN-IBGZPJMESA-N 287.447 4.566 30 10 CJEE C=CCCCCN[C@@H](c1ccccc1)C1CCCC1 1473246631 CHINTGNBUSTCHM-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C#CCCN1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 1473444876 QFZXZLHGIIIRBF-INIZCTEOSA-N 295.348 4.646 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1520019361 XVAZYMIXZWSLPD-OAHLLOKOSA-N 298.426 4.938 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CC2CCC1CC2 1523895050 IHFIMIBVQJVJCA-DQPZFDDXSA-N 283.415 4.570 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H](CC)CC=C)c1ccccc1 1530641570 IRUTVVZVNJVVQO-MSOLQXFVSA-N 285.431 4.597 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](C)c1ccccc1SC 1532423507 ORZWDGCKORNJOS-GFCCVEGCSA-N 278.417 4.615 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(F)c2ccccc12 1559880936 WKRVUSZBCHRRSU-ZDUSSCGKSA-N 257.352 4.596 30 10 CJEE C=CCCc1ccccc1NCc1ccc2c(c1)CCCO2 1620912191 LCLWBHNJOVGPEN-UHFFFAOYSA-N 293.410 4.742 30 10 CJEE C=CCCCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 1621270454 VYZFWCLWKBAXNW-SJORKVTESA-N 277.839 4.922 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 1626026247 TYUKUCPVHQDKAR-GOSISDBHSA-N 289.463 4.694 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CCCCCC(C)C 1627249107 LGLBNNKQTAPPJY-INIZCTEOSA-N 265.441 4.550 30 10 CJEE C=CCCC[C@H](C)Nc1ncnc2c1oc1ccccc12 1639696334 XCYPGDQLVKLURC-LBPRGKRZSA-N 281.359 4.533 30 10 CJEE C=CCCC[C@H](C)Nc1nc2ccc(F)cc2s1 1642498604 OKTCCXNWTBTUCE-JTQLQIEISA-N 264.369 4.592 30 10 CJEE C=CCCC[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccccc1 1651058265 XYMCEDCMNIJUIZ-VQIMIIECSA-N 297.442 4.947 30 10 CJEE C=CC1CCN([C@H](C)c2ccc(Cl)cc2Cl)CC1 1652504606 JBGAQLQOZSPJFZ-LLVKDONJSA-N 284.230 4.952 30 10 CJEE Cc1nc(N[C@H](c2ccccc2)C2CCCC2)ccc1C#N 1655095225 GDXHFOKSKADGAP-LJQANCHMSA-N 291.398 4.605 30 10 CJEE C=CC(C)(C)NCc1cnc(-c2ccc(Cl)cc2)s1 1657108016 IHVHWYILFXVHAY-UHFFFAOYSA-N 292.835 4.518 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C(C)(F)F)cc2)C1 1657446705 ZTGAZEZKXQRNJJ-CZUORRHYSA-N 279.374 4.633 30 10 CJEE C=CCCCCCN(C)Cc1ccccc1CC(F)(F)F 1659099684 NBTUMHZVALMMSP-UHFFFAOYSA-N 299.380 4.970 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CCCC(F)(F)F 1659441170 NTMPUKLIKVNOQT-HOCLYGCPSA-N 299.380 4.885 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H](CC(C)C)C2)cc1 1660864198 LCRYSUIZBHHMBA-SJLPKXTDSA-N 255.405 4.685 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(Cl)c(C)c1 1673159603 XYFUYPOKWVVHGD-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CCCCCCCCCNC(=O)NC1CCC=CCC1 1683043435 ZVHMAPLWXZAACX-UHFFFAOYSA-N 292.467 4.701 30 10 CJEE C=C(C)Cn1c(CC2CCCCC2)nc2ccccc21 1873515810 VRPMZXQKQKOKOD-UHFFFAOYSA-N 268.404 4.735 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](CC)COC 1879027611 XFYWGYKJMFFCAE-SJORKVTESA-N 271.489 4.778 30 10 CJEE CC#CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCC 1879649425 BCJSPLJRRYARHD-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=CCCCCCN(Cc1ccccc1)CC(F)(F)F 1883417260 WFCNEAQTQVGLBU-UHFFFAOYSA-N 285.353 4.797 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CO[C@](C)(CC)C1 1883431906 JKTUPQIDRRACKB-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(C)c(C)cc2C)CC1 1886357419 BUYPFZDJYRZUGW-GOSISDBHSA-N 258.405 4.782 30 10 CJEE CCCCCCCN(C)c1ccc([C@H](C)O)cc1Cl 1887119572 LZNGGDYRIXBFNI-ZDUSSCGKSA-N 283.843 4.800 30 10 CJEE CC1(C)CC(SC[C@](C)(CS)C(C)(C)C)C1 1904959414 NLQZFJXJSDJBOZ-AWEZNQCLSA-N 260.512 4.890 30 10 CJEE 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C=CCCCCCC[C@H](OCCCN)c1cc(C)co1 2292765590 FGXHKDSKRCZAGU-INIZCTEOSA-N 279.424 4.521 30 10 CJEE C=CCCCCCC[C@]1(OCCN)C=CC[C@H](CC)C1 2292796585 LNOSZWUMUGXODK-ROUUACIJSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1ccc(C)o1 2294351394 MARPEQFOESDWSV-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@@H]1CC12CCC2 2294587919 SUYAGNMOKOUYDW-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)c1ccc2cc(Cl)ccc2n1 2294976763 MTSQFBPYZKERMC-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)C[C@H]1CCCCN1 2295519313 FPOFLRJPCFVORT-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(CO)NCc1cccs1 2295531702 NZPOHLVFABLMLA-QGZVFWFLSA-N 297.508 4.729 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@H](C)CN[C@H](C)[C@H]1C 2295539897 ZZQYZYXSAMZDBU-BSDSXHPESA-N 282.516 4.586 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@H](C)C1 2295678587 ZPFQCQRCPNTNHC-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@](C)(O)C1 2295681702 JDADSJYYXXISAS-KSZLIROESA-N 283.500 4.799 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)c1cnn(C)c1 2295684236 JVAGZFZLLRDFST-HZPDHXFCSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@](C)(C[C@H]1C[C@@H]1C)OCCN 2295687399 UBWNSHJIPHPHQU-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE Cc1ccc(C(=O)C=CNc2cccc(C)c2C)cc1C 2296876485 ZWDXMVVEPCPGLN-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE C=CC[C@H](C)Sc1sccc1CNC(C)(C)C 2298943434 UGLPNPZZZUAEGS-NSHDSACASA-N 269.479 4.693 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)NCCC 2311586017 CBRZESPLNHWOMQ-LVQVYYBASA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)C(=O)Cc1cc(Cl)cc(Cl)c1 2316735391 BCIBTHJOJOSQBY-UHFFFAOYSA-N 283.198 4.873 30 10 CJEE C#CCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2316954458 AXDZLAZKRWACBV-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE CCC(CC)(CS)COCc1ccc(SC)cc1 2318149484 XBXASNBTZGWIAU-UHFFFAOYSA-N 284.490 4.661 30 10 CJEE C=C([C@H](NCC)[C@H]1CC[C@H]1C(C)(C)C)C(C)(C)C 2320105372 YTAYOXWGPZCOTJ-ZNMIVQPWSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1c(F)ccc(F)c1Cl 2321221723 CGEJPYXJSXWWQX-KGLIPLIRSA-N 274.738 4.644 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2333365892 YRQQQIOCGRSTBL-HSFUPAIVSA-N 261.453 4.667 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNCC)cc1C 2335235471 PDCOLCSQDIIAQW-UHFFFAOYSA-N 275.461 4.717 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C[C@@H]2CCC2(F)F)CC1 2335423908 LENAXIXFNZGONW-STQMWFEESA-N 270.363 4.764 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2337110564 BXMQURPDIFEOLW-OBVSXPTNSA-N 263.469 4.782 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCCC(C)C)OCCCN 2337642089 ABIZYROZSDLFHM-KRWDZBQOSA-N 269.473 4.539 30 10 CJEE C=CCC(CC=C)[C@@H](CC(C1CC1)C1CC1)NCC 2338751106 ZDKPPANEVJEELU-GOSISDBHSA-N 261.453 4.559 30 10 CJEE Cc1c(F)ccc(CC(=O)C2=CC[C@H](C)CC2)c1Cl 2339323786 AUCJGASFYORBDH-JTQLQIEISA-N 280.770 4.646 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@H]2CCC(C)(C)C2)C1 2341665030 KLCFHMJKLLBTRD-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1cc(Cl)cc(C#N)c1 2343275883 XRQRUPGPLLDTLS-SWLSCSKDSA-N 277.795 4.663 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(CCC)cc1 2344344463 SGFFQAUFAGBFJQ-MSOLQXFVSA-N 259.437 4.501 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@H]1CCCC1(F)F)NCCC 2344378675 VUZHARHLMGDWBS-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccccc1CCC 2344384627 XLXMMTXTDDICRB-GOSISDBHSA-N 258.405 4.743 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(C2(C)CC2)c1 2344470025 XFBONJLORBNLLQ-IAGOWNOFSA-N 258.405 4.764 30 10 CJEE CCCC1(CN(C)CC2(CS)CC(C)(C)C2)CCC1 2345005005 SIGCXVGMAFNLSS-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@H]1c1ccsc1 2352094486 FBRHHCSQGUUMPD-ZBFHGGJFSA-N 297.533 4.867 30 10 CJEE CCCC(CS)(CCC)COC[C@@H]1C[C@]12CC2(F)F 2352499227 NGKDOFDAQKQLHN-JSGCOSHPSA-N 292.435 4.565 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352755637 BVIJNEPPDYDSBV-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)C[C@@H]2CCC[C@@H]21 2360079964 PJXBGCMHKYIHKV-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155055 DSLXSLDVSRXMLH-XJKCOSOUSA-N 275.417 4.506 30 10 CJEE Cc1cc(C)cc(OCCC[C@H](C#N)c2ccc(F)cc2)c1 57685618 UNWBVUAOEFTUDV-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE Cc1ccccc1OCCC[C@@H](C#N)c1cccc(F)c1 57688461 NJLAKSJSWXIIJN-INIZCTEOSA-N 283.346 4.601 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccccc1C 59211526 XUYXNAITCBNAIZ-INIZCTEOSA-N 257.377 4.532 30 10 CJEE N#C[C@H](C(=O)C1CCCCCCC1)c1ccc(Cl)cc1 86580075 CJSQMZZTTWSSLJ-INIZCTEOSA-N 289.806 4.877 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 88301526 KPCILVAAMIVLCN-WDEREUQCSA-N 284.325 4.814 30 10 CJEE CC(C)(C)C1CCC(O)(C2(C#N)CCCCCC2)CC1 91876043 VWENBAYPCRPMSS-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1 91880613 KMPVSBPSAFCIGY-QGZVFWFLSA-N 285.431 4.882 30 10 CJEE CC1(C)CCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 94309059 NJMLLWFFHVDDKH-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE CCC(C)(C)c1ccc(OCC(C)(C)CS)cc1 94582849 GMTFVLSDVGSRKG-UHFFFAOYSA-N 266.450 4.709 30 10 CJEE CCC1(c2nc3cc(C#N)ccc3n2C(C)C)CCCC1 94909435 FEKUMZBYVGLOMC-UHFFFAOYSA-N 281.403 4.711 30 10 CJEE C=C(CC)C[C@@H](Cc1cccc(Cl)c1)NCCC 97208453 ZKQOOASDPWTODY-INIZCTEOSA-N 265.828 4.607 30 10 CJEE Cc1cccc(SC2(C#N)CC3(CCCC3)C2)c1 97394297 WSBZRSRMHCJBAV-UHFFFAOYSA-N 257.402 4.704 30 10 CJEE Cc1cc(C)cc(N/C=C\C(=O)c2cc(C)ccc2C)c1 103030875 LJCDVEUEQZLMGP-FPLPWBNLSA-N 279.383 4.729 30 10 CJEE CCCCCCC[C@H](NC1CC1)c1nc(C)c(C)s1 104447101 LVWJDLUMNWFHSB-HNNXBMFYSA-N 280.481 4.914 30 10 CJEE CCCCCCCCOCc1ccc(CNC(C)C)o1 107346388 JCCXSKJMUWFSBN-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE CCCCCCCCCCC[C@H](COC)NCC 109667264 QFGUGKAOIOOQBQ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCN[C@H](C)Cc1c(F)cccc1F 109906076 HAHPSSQRHRYFPB-CQSZACIVSA-N 283.406 4.846 30 10 CJEE CCCCCCCCO[C@@](C)(CC)CNCCC 110160584 UPKHDWVUSCEWLE-INIZCTEOSA-N 257.462 4.532 30 10 CJEE Cc1cc(C)c(Nc2cccc(Cl)c2C#N)c(C)c1 110250635 BNDKKNDVJWARSN-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc(Cl)c1F 110253721 SRFOCANTAXODSQ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCC[C@@H](Cc1cc(F)cc(F)c1)NC 112893942 WKQVCXLYMNIJGJ-KRWDZBQOSA-N 283.406 4.846 30 10 CJEE CCCCCCCO[C@H]1[C@@H](NCCC)C[C@@H](C)C[C@H]1C 113944409 VBCOLJUBUXPMBX-XWTMOSNGSA-N 283.500 4.776 30 10 CJEE CCCCCCCCN1CC2(CCCCC2)NC[C@H]1CC 115244578 GABPHIAOTYNKKX-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCN1CCC[C@H](O)c2ccccc21 123921322 XYWZWZDXHAPOTG-SFHVURJKSA-N 275.436 4.681 30 10 CJEE C=C(C)CC[C@H](NC)C1CCC(CCCC)CC1 125731575 BKENSMJCEQWUOH-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=CCCCOc1ccc([C@H](C)NCCC)cc1Cl 132545592 FVAOOGCGAJBJBG-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE CCCCCCCCC[C@H](CCc1ccncc1)NC 139416823 MGGUEUUEBMRTIP-GOSISDBHSA-N 276.468 4.743 30 10 CJEE C=C[C@H](C)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 159743269 VKPPZRPZTGOVCQ-ZDUSSCGKSA-N 289.463 4.651 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(CC)OC 160574592 GQMXIYYFKHTVPO-MRXNPFEDSA-N 256.430 4.901 30 10 CJEE N#C[C@@H](c1cccc(Cl)c1F)C1CCCCC1 167881719 UGTOBYSKOZMTMM-GFCCVEGCSA-N 251.732 4.667 30 10 CJEE CC(C)c1ccc([C@@H](C#N)N(C)Cc2ccccc2)cc1 211519369 KFNTYMUIQQNLFK-LJQANCHMSA-N 278.399 4.507 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C(C)(C)C)cc1 229737749 ARQGJTLBTKRKIE-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccccc2C#N)C1 230765485 CWHOKPBZKQCANG-HOCLYGCPSA-N 256.393 4.575 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](O)C1CCCCC1 232918718 IAGJLWDFOLNGNY-ZWKOTPCHSA-N 284.484 4.819 30 10 CJEE CCCCCCCCOc1c(F)cccc1[C@H](C)N 232933220 HEIOIBAMDLLLNW-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CCCCCCCCNc1ccc(Br)nc1 232943203 QVPABTMAPWOUOF-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE C=CCCCCC[C@H]1CCCCC[C@H]1CNCC 233522092 JUWIKSDGYNLHFT-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1Cc2ccccc2S1 233540863 GZEBKJIMHCCNLT-WMZOPIPTSA-N 289.488 4.818 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1ccc(C#N)cc1Cl 233978992 VSFTWRZHVPBVCA-AAEUAGOBSA-N 264.800 4.838 30 10 CJEE C=CCCC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NN 235720818 DJGVSWVISDCHSX-MWXXRFSMSA-N 290.495 4.561 30 10 CJEE C=CCCCCC[C@H](N)c1cc2c(s1)CCSC2 236303953 ZBSJPIJUDXKCLP-ZDUSSCGKSA-N 281.490 4.674 30 10 CJEE CC(C)(C)c1ccc(C[C@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 252808444 DNZJDKDSFHJISV-VDZJLULYSA-N 267.416 4.857 30 10 CJEE Cc1ccc2cc(C=Nc3cccc(C)c3C)c(O)nc2c1 254520115 AGAXLKJRVBMOKS-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE CC(C)(F)Cc1cccc(C2(C#N)CCCCC2)c1 260354531 CDZCJMSYCKRYBM-UHFFFAOYSA-N 259.368 4.703 30 10 CJEE CCC[C@@H](NCC1CCC(C#N)CC1)c1ccsc1 282480626 WWXPDIBVTYLPCS-ZBCRRDGASA-N 276.449 4.509 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cccc(Cl)c2Cl)O1 310910854 QSUUVMLNSOXSTI-KBPBESRZSA-N 284.186 4.691 30 10 CJEE CCCCCCCC[C@H](NCC)c1csc(OC)n1 311694929 LIFFWQZKRDHMSS-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CC(C)C[C@H](C)CNc1ccc(C#N)cc1C(F)(F)F 312157078 INANARJSTRVMML-NSHDSACASA-N 284.325 4.671 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SC2(CO)CCCCC2)C1 313062245 MFCCUYBTFWWATP-PMPSAXMXSA-N 295.492 4.523 30 10 CJEE CCCCCCCCOc1nc2cc(N)ccc2s1 313587739 NYJOHXRBEFWSTJ-UHFFFAOYSA-N 278.421 4.618 30 10 CJEE CCCCCCCC[C@]1(CNC)CCc2ccccc21 317465840 YTFKSXZGIXZUHP-LJQANCHMSA-N 273.464 4.841 30 10 CJEE C=C(CC)CC1(CNC(C)C)CCC(CC)CC1 317904133 JRMGLFYLMLPGNO-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1 328426333 CIHUVWPLNANNEW-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C#C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1 378659671 FXIIBAOEHNBJQZ-OAHLLOKOSA-N 276.166 4.780 30 10 CJEE CCCCCCC[C@H](N)Cc1ccccc1C(F)(F)F 380074874 YXJCPZRTTLVMAG-AWEZNQCLSA-N 287.369 4.936 30 10 CJEE C=CCC(C)(C)Cn1c(=S)[nH]c2cc(C)c(OC)cc21 381216630 VVWNFRBLZSBTES-UHFFFAOYSA-N 290.432 4.618 30 10 CJEE CCCCCCCCCCCCn1cc(C#N)cn1 382356355 LBDYAOBOERMQGF-UHFFFAOYSA-N 261.413 4.676 30 10 CJEE CCCCCCCC[C@@H](O)c1c(F)ccc(F)c1OC 383638510 KRBSSVIWHXXUHV-CQSZACIVSA-N 286.362 4.757 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)CCCC2 393779494 NJRKUKPVVCUEAS-KBXCAEBGSA-N 257.421 4.571 30 10 CJEE CCCCCC[C@@H](C)NC[C@@H](C#N)C1CCCCC1 397055303 AJJHZVLPNFEYOE-NVXWUHKLSA-N 264.457 4.655 30 10 CJEE C=CCCC[C@@H](C)Nc1snc(N)c1-c1ccccc1 398171380 YXLGUHJNQPICSM-GFCCVEGCSA-N 287.432 4.549 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CC)[C@H](CC)c1ccccc1 464547418 JBDQLXRTJJEUNR-NVXWUHKLSA-N 273.420 4.589 30 10 CJEE N#Cc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1 514260989 MMRBGXLHKVLTCE-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(C(C)C)cc1 686683042 YNBNVKLTKBPICB-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=C(Br)CSc1ccc(C(F)(F)F)cc1 687730129 IZFARWQJMOFKOY-UHFFFAOYSA-N 297.139 4.706 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2c1COCC2 688384195 QQXWECQAVMTKGW-GOSISDBHSA-N 275.436 4.510 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)c1ccc(Cl)cc1C#N 691060084 ZYOLUXJKZPSURC-SWLSCSKDSA-N 276.811 4.617 30 10 CJEE C=CCC(C)(C)COCc1csc(CNCC(C)C)c1 695026986 NLGNNLHGHGFNCH-UHFFFAOYSA-N 295.492 4.613 30 10 CJEE Cc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1C(F)(F)F 695842296 LHFADVVTDWMPOW-NSHDSACASA-N 284.325 4.754 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H](N)C(C)(C)C 702408535 ODUJRUNODCURKG-JKSUJKDBSA-N 271.489 4.642 30 10 CJEE 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4.505 30 10 CJEE C=CCCCCO[C@@H]1CCCCC(C)(C)[C@H]1NCCC 2234049661 YAXSNZAHNDYARF-SJORKVTESA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNC[C@@H](F)C1 2234663278 JFKPTTMHOBWNFG-IRXDYDNUSA-N 287.463 4.624 30 10 CJEE C=CCCCCCCCN1CCC[C@@H]1c1cc(C)no1 2235541241 GIHNMYVREHFKEW-MRXNPFEDSA-N 276.424 4.647 30 10 CJEE C[C@](O)(CC#CC1CCCCC1)c1cc(F)cc(Cl)c1 2237801851 UOBHBYWPGUQZRB-KRWDZBQOSA-N 294.797 4.660 30 10 CJEE C#Cc1ccccc1CNCCCCCCCC1CC1 2239349464 FLFHGLGBICXPJY-UHFFFAOYSA-N 269.432 4.508 30 10 CJEE CCCCCCCCCOc1cccc(COC)c1N 2239455691 ARTVIIJXPCEOPY-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE C=CCCCCCCCCNC12CCC(OC)(CC1)C2 2240285919 XCBKUDQJHMHFSR-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ncnc2ccsc12 2240613962 MJECNNPZULLYCK-MRXNPFEDSA-N 291.464 4.616 30 10 CJEE CCCCCCCC[C@@]1(C)CCC[C@H](CNC2CC2)O1 2240622454 TXIZRXWVMZPMJE-MSOLQXFVSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCOCC12CCC2 2240667738 YYVXPPYWLYUSJP-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(F)cc(Cl)c1 2250139708 NALHZJYCWQQGHI-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE CCCCCCCCCC[C@H](N)Cc1cnsc1 2253416092 IOTOIKAWKIMDBY-HNNXBMFYSA-N 268.470 4.544 30 10 CJEE CCCCCCCC[C@]1(F)CCNC[C@H]1C(C)C 2255918366 DOZIYCOOXMGZEL-HOTGVXAUSA-N 257.437 4.711 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)s1 2256712584 VGMAVUZAFLIEGI-LBPRGKRZSA-N 281.852 4.658 30 10 CJEE C=CCCCSCC(=O)c1ccc(C(C)C)cc1 2258999098 GMPRTFCFTQNHGH-UHFFFAOYSA-N 262.418 4.692 30 10 CJEE C=C(C)CCCCC(=O)Cc1c(F)cccc1Cl 2259160969 GYEKONMNDXZHCA-UHFFFAOYSA-N 268.759 4.727 30 10 CJEE C=C(C)CCCCNC[C@@]1(C)CCCCC1(F)F 2259194545 KVGHVJLYKGYDTM-CQSZACIVSA-N 259.384 4.538 30 10 CJEE C=C([C@@H](C[C@@H]1CCCCC12CC2)NCC)C(C)(C)C 2264895521 SEQYMTISASVRFK-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE O=C[C@@]1(CC[C@H]2CCCCC23CC3)C[C@H]2CC[C@H]1C2 2264935364 PPGISICJLSAKQP-UIBIWLFHSA-N 260.421 4.742 30 10 CJEE CC(C)(C)[C@H](CS)COCC[C@@H]1CCCCC12CC2 2265003714 NVIFISBEZKVLAZ-GJZGRUSLSA-N 284.509 4.956 30 10 CJEE Cc1ccc(Cl)c(CNc2ccc(C#N)cc2Cl)c1 2268122045 ASZKJKRFXQCFQF-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=C(F)COc1cc(C)c(Cl)cc1[C@H](C)NCCC 2270962671 AJFPTKLFERHUJD-LBPRGKRZSA-N 285.790 4.571 30 10 CJEE C=C(C)CCCCN(C)C1CC(c2ccccc2)C1 2271756483 SDDYTEUSQCVLTC-UHFFFAOYSA-N 257.421 4.611 30 10 CJEE CCN[C@H](C#CC1CCCC1)C[C@@H](CC)C(C)(C)C 2273971378 LWBWNLZEUNJTJS-IAGOWNOFSA-N 263.469 4.621 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C=O)CCCC23CC3)C1 2274149850 GBYRATRPSLTFSD-JTTJXQCZSA-N 262.437 4.988 30 10 CJEE C=C(Cl)C[C@H](Cc1cccc(C(C)(C)C)c1)NCC 2274505020 SEGNTYSDZVDYEO-MRXNPFEDSA-N 279.855 4.647 30 10 CJEE C=C(CC)C[C@@H](OCCCN)c1cc2cscc2s1 2276321989 UEDNZUHIMXRFQV-CYBMUJFWSA-N 295.473 4.726 30 10 CJEE CN(CCCCCCCS)C1CC(C2CCCC2)C1 2277502570 SLSTZMDCSSQWAG-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CN(CCCCCCCS)C[C@H]1CC12CCCCC2 2277503917 SBPWNWXQXXYXNB-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE CCCCCC#CC[C@H](N)c1ccc(C(F)(F)F)s1 2277664026 IBNQBIYILQVHCS-NSHDSACASA-N 289.366 4.741 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1C[C@@H]1COC 2278174419 VSYXWDINEVWEEX-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCSCCCC[C@](C)(C#N)NCCC 2278317762 HEEUPFXFRBZLCJ-MRXNPFEDSA-N 284.513 4.752 30 10 CJEE C#CCCCCC[C@H](C[C@H]1CCCCC12CC2)NCC 2279532409 GAEPJARPHMSFPB-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)c1sccc1CC 2283052045 MNKGLROSHSUACE-QGZVFWFLSA-N 296.476 4.995 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1sccc1CC 2283057051 JFFZGTPVIZYICQ-DLBZAZTESA-N 297.508 4.812 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(OC)c1Cl 2283300545 SVPLTEYYSJWVAN-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE CNC[C@H]1CCC(C)(C)C[C@H]1CC=CC#CC(C)(C)C 2284083363 FUNMOZDEIMJEGN-IAGOWNOFSA-N 275.480 4.644 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@@]1(C)COC 2284687636 AAEYELVXXGQCEY-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCNCCCCCCCCCCO 2286794485 QWTRPPPVSQXVTE-UHFFFAOYSA-N 283.500 4.826 30 10 CJEE CCCCCCCCNCc1ccccc1NC(C)C 2286859169 USMKEOBBAAMITF-UHFFFAOYSA-N 276.468 4.957 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccccc1CC 2287078220 ZGKBLGPTPFZXJX-SFHVURJKSA-N 291.504 4.989 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccc(C(C)(C)C)cc1 2287404660 ZUTAXKLTNVFYPP-QGZVFWFLSA-N 274.452 4.625 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287409634 XGFYHJBLEVJMHC-FZKCQIBNSA-N 285.422 4.912 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](OC)C1CCCC1 2287467014 SZZKRGHRQJQZQS-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CCCC1CCC(C#N)(C[C@@]23C[C@@H](CO2)C3(C)C)CC1 2288967280 KFPDVILXNDIFIS-QZOMQWOVSA-N 275.436 4.692 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(Cl)c(C)c1 2289879280 DSQHETWKHQQWOT-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@]1(C)CC1(C)C 2290609371 QNZPGHSYZDFHIK-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC[C@H](CC)C1 2290919374 YWEFCVLRJVWCKM-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC1(F)F)OCCCN 2293179384 BFXHFEDSXFPFTF-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@](C)(CC1[C@H](C)[C@H]1C)OCCCN 2293183700 RMKGNSQCLFHDJG-JFIYKMOQSA-N 283.500 4.763 30 10 CJEE C=CC1(C[C@@](CC)(CCC(C)C)OCCCN)CCC1 2293522177 NOISXZJJLZAWFL-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](CC)(CCC(F)(F)F)OCCN 2293680407 ZQHIKQWJZOEYBV-CQSZACIVSA-N 297.405 4.814 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCN)[C@@H]1CC1(C)C 2293889394 DSYIMVGSJMQKOB-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCC2(CC2)C1 2293891349 YBRHPDVRDGYAEO-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](OCCN)C1CC(C2CCC2)C1 2294308427 JKWGFXAKUDWTJV-ABHNRTSZSA-N 281.484 4.517 30 10 CJEE N#Cc1sccc1CN1CCCC[C@H]1C1CCCCC1 2294716118 ZRPRQCKTRVXKRW-INIZCTEOSA-N 288.460 4.555 30 10 CJEE CCCCCCCCC[C@H](C)NCc1nc(CC)ns1 2295668626 KRWVVGANFRARBU-AWEZNQCLSA-N 297.512 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC1=CCCC1 2295676995 QUMFLPNTYHVVCI-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE C=C([C@@H](NCCC)c1ccc2scnc2c1)C(C)(C)C 2296131010 JPGVVYBHGBRREP-MRXNPFEDSA-N 288.460 4.939 30 10 CJEE Cc1ccccc1C=C1CC[C@@H](C2CCCC2)C1=O 2297334018 VERFDXWUHGZEQQ-KRWDZBQOSA-N 254.373 4.548 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)cc1Cl 2304035859 PWNXSEDKWIMXNO-ZDUSSCGKSA-N 272.219 4.856 30 10 CJEE C=CCCC[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2307638121 FQFYXBAVBYBYGJ-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2309893385 FFQRHONWDQTQBA-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCOc1cccc(OC)c1C 2313833763 LLNIRFACQYFHKF-UHFFFAOYSA-N 250.382 4.743 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(SC)cc1 2321117251 NMNCXJLNJZCOKR-CVEARBPZSA-N 263.450 4.661 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@@H]1CCC[C@@H](C)C1 2321231166 CYHWIDLPRPOMAG-TWMKSMIVSA-N 252.442 4.946 30 10 CJEE CCC[C@H](CC)COc1cc(Cl)c(F)cc1C#N 2328096586 AQHTXABRZYXROM-JTQLQIEISA-N 269.747 4.556 30 10 CJEE CC(=NOCc1ccccc1Cl)c1cc(F)ccc1F 2330492466 YSIMOGWOYKEWAH-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C[C@@H]2C[C@H]2C(F)(F)F)CC1 2331583627 HRBANYNTIRDTIJ-WCFLWFBJSA-N 274.326 4.527 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=CC(C)=O 2333100218 GWLGWWOKIBLQJF-JZXOWHBKSA-N 260.421 4.930 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2C[C@@H]3CC[C@H]2C3)CCC1 2334310583 ZUYYUGCRCIBWHH-LTIDMASMSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@H]1NC 2335096557 OGKIDXFZSSUIKW-DJIMGWMZSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Sc1ccccc1C[C@H](N)CC 2335101620 WWGVUKSOSVXBPJ-OAHLLOKOSA-N 275.461 4.579 30 10 CJEE CCC[C@H]1CC[C@H](C[C@@]2(C#N)COCC2(C)C)CC1 2336119168 UJEXKJVBJCBOHY-BFYDXBDKSA-N 263.425 4.549 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(C)ccc1C 2337074124 IMBGILWCCWMGCD-XYJFISCASA-N 257.421 4.699 30 10 CJEE CCCCCCCCC[C@@](O)(CC)[C@H]1CCCCO1 2337303346 GPGJIHDTOIKCSG-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccncc1C(C)C 2338616277 PXEYTEDEJJNVOZ-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](CC)CC(F)(F)F 2338732817 MJAKUAFTFKZNGI-OCCSQVGLSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@]12CCC[C@@H]1CC2 2338745162 UKJNXBJDSDKIKH-FGTMMUONSA-N 261.453 4.703 30 10 CJEE N#C[C@@]1(CC2CCCCCC2)CCc2ccccc21 2339067162 LKEGCTDNTSKGAK-SFHVURJKSA-N 253.389 4.755 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C[C@H](C)N)c(C2CC2)c1 2339157516 KDUGMPOVLSTFJP-QWHCGFSZSA-N 275.461 4.510 30 10 CJEE CCC[C@H](OC[C@@H](CS)CC1CC1)c1ccccc1 2340545546 IMLYYFBWNMAOHZ-RDJZCZTQSA-N 278.461 4.891 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2341898061 QROMQEUFEHYKSJ-IECFSIQFSA-N 261.453 4.537 30 10 CJEE O=C[C@]1(CC[C@@H]2CC[C@@H]2C2CC2)CCCC(F)(F)C1 2342538150 ORXGMOPCZSSFKP-ZNMIVQPWSA-N 270.363 4.597 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc(C(C)C)c2)CC1 2343669345 KARKTXNKUJLQGC-GOSISDBHSA-N 258.405 4.980 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2344335696 BRCACTPGMVQBKD-PNKHAZJDSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](CCC=Cc1ccccc1)NCC 2344344619 JKZNRYKWINMBAP-SJLPKXTDSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@@H](CC12CCC(CC1)CC2)NCCC 2344368190 AWDPZZAICNOPAD-RZZCCWGQSA-N 263.469 4.927 30 10 CJEE C=C[C@](N)(c1ccccc1)c1cc(Cl)c(C(F)F)s1 2345066739 KSOGXBIYAUWFAW-AWEZNQCLSA-N 299.773 4.727 30 10 CJEE C#Cc1ncccc1N[C@H](C)c1cccc(Cl)c1Cl 2348286969 ISPUASGWXDJHPO-SNVBAGLBSA-N 291.181 4.543 30 10 CJEE C=CCCCCCCCSc1cc(CO)c(C)cn1 2352399809 FXOQBOGTQQXESS-UHFFFAOYSA-N 279.449 4.501 30 10 CJEE C=CC[C@@H](CNC)CC1CCC(CC(F)(F)F)CC1 2353132731 DQOYNZYIULTQSJ-JXQTWKCFSA-N 277.374 4.547 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)OCCCN 2360062042 MYSXCQNXVSMVPO-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@](C)(CCCC(C)C)OCC(=O)O 2360240621 SUFCRSYVNQFKJN-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE Cc1ccccc1[C@@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@@H]21 14478547 GTYWVCPADWQSBI-ZWOKBUDYSA-N 286.378 4.693 30 10 CJEE CCc1cccc(C)c1/N=C1\NC[C@@H](c2ccccc2)S1 35294314 GOWJVDUTGKEKAE-INIZCTEOSA-N 296.439 4.623 30 10 CJEE CCC1CCC(C#N)(Nc2ccccc2Cl)CC1 37938278 AWQVVVAZDFHZBU-UHFFFAOYSA-N 262.784 4.614 30 10 CJEE CCc1ccccc1CNc1ccc(C(C)(C)C#N)cc1 52201096 XPYJCORQVHQGQB-UHFFFAOYSA-N 278.399 4.662 30 10 CJEE C[C@H](N[C@@H](CC#N)c1ccccc1)c1cccc(Cl)c1 55017549 DRRDLRZJJYQLGO-GUYCJALGSA-N 284.790 4.646 30 10 CJEE Cc1ccccc1[C@H](C#N)CCOc1ccccc1Cl 57686984 HPSIBOWEYUUBFQ-AWEZNQCLSA-N 285.774 4.725 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)ccc1OC 59384273 BHRHGHDHPQBHBD-INIZCTEOSA-N 263.425 4.625 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCCC[C@@H]2C)C1 70409583 WYRVWCAXRQUAKO-WNRNVDISSA-N 290.495 4.996 30 10 CJEE CCCOc1cccc(-c2cc(CC#N)c(CCC)o2)c1 77081411 NXJHEIAPYPOEQV-UHFFFAOYSA-N 283.371 4.754 30 10 CJEE Cc1sc(-c2ccc(OCC(C)C)cc2)cc1CC#N 77094760 RIUPPGRWNVIEFM-UHFFFAOYSA-N 285.412 4.824 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCC[C@@H](C2CC2)C1 81642519 PJXSVMDNTSXYSY-CZUORRHYSA-N 274.795 4.614 30 10 CJEE CC(C)c1ccc(NC[C@@H](C#N)c2ccccc2)cc1 83860932 BBSVARVMAVBQEV-QGZVFWFLSA-N 264.372 4.529 30 10 CJEE CCCCCC[C@H](O)C1(C#N)CCC(CCC)CC1 91884826 ULAUEEFPTWYABS-CGZBRXJRSA-N 265.441 4.818 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCC[C@H](C)[C@H]2C)CC1 91887215 YFMPFYBWJDGGSY-QNVOQPSNSA-N 277.452 4.530 30 10 CJEE CCCCN(CC1(CS)CCCCC1)[C@H](C)CC 94581560 UQGZJTLJPBVBPK-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc2ncccc2c1 97208762 LPECVWWLFGRKQP-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCCc1ccc(C(=O)O)c(F)c1F 100371105 YIOREVUAFDPHTF-UHFFFAOYSA-N 270.319 4.566 30 10 CJEE C=CC[C@@H](CC)c1ccc(OC)c(Br)c1 107512188 ZFGNJBKCLOGVIV-SNVBAGLBSA-N 269.182 4.527 30 10 CJEE C#CC[C@@H](CCC)c1ccc(Br)c(C)c1 107608945 WRJCTZBESRZHKE-LBPRGKRZSA-N 265.194 4.665 30 10 CJEE CCCCCCCc1nc(C2CCCC2)n(C2CC2)c1N 110057100 YGBQDAFAVRRHJO-UHFFFAOYSA-N 289.467 4.971 30 10 CJEE CCCCCCCC[C@@H](CNC)Cc1ccc(F)cc1 110187124 CAYDLLPHRJBIED-QGZVFWFLSA-N 279.443 4.954 30 10 CJEE CCCCCCCCCCOc1c(CO)cccc1OC 110369462 DIYLMSBGZHCJTM-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE CCCCCCCC[C@@H](Cc1cccs1)NC 112897183 FSGIYAPFOIKEON-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CC[C@H](Cc1ccccc1)Nc1ccc(C#N)c(Cl)c1 116383266 AAPLTKXKGFNBLN-OAHLLOKOSA-N 284.790 4.645 30 10 CJEE CCCCCCCCCCn1cccc1CNCC 117581067 CXVLLFKUPWTDFT-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE CCCCCCCCn1ccc([C@@H](O)CCC)c1 118243867 YJCZFGUMESYODV-INIZCTEOSA-N 251.414 4.682 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](OC)C(C)C 127656668 CFKJYLFUVQZXMO-SJORKVTESA-N 271.489 4.776 30 10 CJEE C#CC[C@@H](CC)N[C@H](c1ccccc1)C1CCCCC1 129812419 WKVCGBHNTFXRQO-RTBURBONSA-N 269.432 4.700 30 10 CJEE CCSc1cccc(N(CC)C[C@@H](C)CC)c1C#N 136680850 ZDCHDKYDLFZZQJ-ZDUSSCGKSA-N 276.449 4.543 30 10 CJEE CCCCCCCCC[C@H](NCC)c1snnc1C 139458541 WJTXVMRLWJKYNR-AWEZNQCLSA-N 283.485 4.638 30 10 CJEE CCCCCCCC(=O)[C@@H](OCC)C1CCCCC1 158349963 NEYQLASRPPEOMA-KRWDZBQOSA-N 268.441 4.901 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@H](C2CC2)C1 160816294 YEALFFIPRJCOBZ-IRXDYDNUSA-N 251.458 4.905 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 164621730 GENKBVIAGCNORR-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCO[C@H]1C1CC1 166292702 SIPWRWUJNIRFIG-ZWKOTPCHSA-N 281.484 4.530 30 10 CJEE CCCCCCCCOc1c(F)cccc1C[C@H](N)CC 166332720 QKCOPZGLOXLYKD-MRXNPFEDSA-N 295.442 4.845 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1cccc(Cl)c1F 167119240 KBRNYKQOBYANCZ-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCCCCCCCNc1cc(C(=O)O)cc(C(C)C)n1 228191237 NFGHPUZMCHDDIL-UHFFFAOYSA-N 292.423 4.676 30 10 CJEE CCCCCCCCC[C@@H](N)CC1CC(OCC)C1 232178392 SKPQQGKCCNJBLW-AQFXKWCLSA-N 269.473 4.660 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232365849 MXVJEKFORUDWGT-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCCCCC[C@@H](NN)C1(CC(C)C)CCCC1 232560898 ATMWLFWOLXFTCT-MRXNPFEDSA-N 266.473 4.561 30 10 CJEE CCC(=CC(=O)Cc1csc2ccccc12)CC 232872732 KEXILJWWOJFCOX-UHFFFAOYSA-N 258.386 4.759 30 10 CJEE CCC[C@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 233353125 GEPHJLCFVUMDQP-GXFFZTMASA-N 298.249 4.870 30 10 CJEE CC[C@@H]1CCCN1[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 251637275 FTQSBHWFWNMLGT-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)c1ccc(C#N)cc1 252431818 QIIVKPLOZAOAFQ-OHDICMOHSA-N 284.447 4.670 30 10 CJEE CCCCCCCOc1cccc2c1CCCC2=NO 252676718 DRXCZSIDTXLDTC-UHFFFAOYSA-N 275.392 4.550 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1 252706692 UWBLYVXQGYXUNK-IPMKNSEASA-N 294.527 4.637 30 10 CJEE Cc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1C#N 300437377 CLBRXDQQFCHQBF-HRCADAONSA-N 268.404 4.638 30 10 CJEE N#C[C@@H](NCc1ccccc1)c1ccc(-c2ccccc2)cc1 302894166 SYMHXVRNVUXGKV-OAQYLSRUSA-N 298.389 4.708 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C/C1=C\B1OC(C)(C)C(C)(C)O1 306611548 LWEWUNGPSOOOOB-LTJDPMBBSA-N 278.245 4.636 30 10 CJEE CCCCCCCCC(=O)c1cncc(Cl)c1 307973973 OBLNWWJCHIPZAO-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@@H](CCC)CC(C)C 308079461 YQCKPIHMCJDRQP-ROUUACIJSA-N 283.500 4.798 30 10 CJEE CC(C)C(C(C)C)[C@@H](O)C1(C#N)CCCCCCC1 311431122 GBHKBVRXWUVVHH-MRXNPFEDSA-N 265.441 4.530 30 10 CJEE C=C([C@H](NCC)c1cc2ccccc2s1)C(F)(F)F 311908280 GXQGTQZOZWSAQZ-ZDUSSCGKSA-N 285.334 4.670 30 10 CJEE Cc1cccc(N[C@@H]2C[C@@H](C)c3ccccc32)c1C#N 313396018 SRHSPTSYRZRTAE-FZKQIMNGSA-N 262.356 4.527 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(C)c(C)n1 316390614 KTABCGYSYMXIIP-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE CC(C)SCCC1(C=O)CCC(C(C)C)CC1 316620046 AWUHQXOCMQXMSD-UHFFFAOYSA-N 256.455 4.550 30 10 CJEE CCCC1CCC(C=O)([C@@H]2C[C@H]2c2ccccc2)CC1 316824563 KULAXQLFWYVNRN-PZZKWDHKSA-N 270.416 4.966 30 10 CJEE C=CCCC1(CNCC(C)C)CCCCCCC1 318188981 RFQUUEPGJGCJTJ-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@H](OCC)C1(C)C 378671201 LXCOZJVBGWUVNX-ULQDDVLXSA-N 283.500 4.776 30 10 CJEE CCCCCCCCCCNCC1CC(F)(F)C1 383153119 OQVCVUKUPUZEJC-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE C=CCC(C)(C)CNCc1cc(Cl)cc(Cl)c1 384085460 YCPSDWQQBODUKK-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2coc(Br)c2)C1 393535567 QQOZMHWISXQNQE-RISCZKNCSA-N 296.208 4.695 30 10 CJEE CCCCCCCCC[C@H](CC1(COC)CC1)NC 401240948 IEZHABLAUDREMC-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cnsc1 404588909 HNHUJGCTLOKTCX-CQSZACIVSA-N 254.443 4.544 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCC[C@H]1N 405612976 SUQLMHLRILZMCS-NVXWUHKLSA-N 267.457 4.604 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCC(F)(F)C1 410353349 RNUXEHSMRRMIFY-CQSZACIVSA-N 293.357 4.569 30 10 CJEE N#Cc1ccc(-c2cc(Cl)ccc2Cl)cc1F 514261100 YRTYVNLSKVUTKC-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@@H]1C(C)(C)CC)c1ccccc1 536234001 SGUYHHKQTWPFHP-FUHWJXTLSA-N 299.458 4.774 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 543546401 XODNSEQDFVULSN-UONOGXRCSA-N 291.439 4.513 30 10 CJEE C#CCCCCCNc1cc(Cl)c(C)c(Cl)c1 686687239 BHHPLRDAQKYKPP-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE C#CCCCCC[C@H](NCCC)c1sccc1F 686703679 LEFJCDJQIUWNSJ-AWEZNQCLSA-N 267.413 4.512 30 10 CJEE C=CCC1(Nc2cc(Cl)nc(C(C)C)n2)CCCC1 690724308 QVZFHWHIRDXFEW-UHFFFAOYSA-N 279.815 4.554 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Cl)cc(F)c1F 691265292 KQWYPHINYANONB-ZDUSSCGKSA-N 274.738 4.788 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3CCC[C@H]4C[C@H]43)n2)c1 691699704 MFATXGVIMIVJKJ-NWANDNLSSA-N 280.396 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(F)ccc1F 692233686 CRJHZXFYXQVCRI-OGHNNQOOSA-N 279.374 4.750 30 10 CJEE CCCCCCCC[C@@H]1[C@@H]2CCCN[C@H]2C1(C)C 693701143 GVROICVRVWMNFJ-ARFHVFGLSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@H]1CC[C@@H](C(F)(F)F)NC1 694077505 NYBKXNNFMOIKSJ-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE CC(C)(CC(F)F)C[C@](C)(C#N)c1ccccc1 694109977 PJYLBHYEMNZMPI-OAHLLOKOSA-N 251.320 4.539 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCCC(C)(C)CC1 697587852 HEMPICOIKAQJFP-OAHLLOKOSA-N 264.457 4.655 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@H]1C1CC1 699082826 BSSCBGKHIBITIZ-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE CCCCCCCCNC[C@@H](OC)C1CCCCC1 702692574 PBTXCBFNQMZXKY-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=CCCC(C)(C)CNc1nsc2ccccc12 703975557 WSOWGNWNZHGGCY-UHFFFAOYSA-N 260.406 4.701 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCCCC[C@@H]2CC)CC1 709154175 WYEMSMWQPCRILX-JYSRZZCRSA-N 277.452 4.818 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2c(C)cccc21 709411925 KWYVRDLCKHITPL-UHFFFAOYSA-N 274.433 4.626 30 10 CJEE Cc1cc(C)cc(N=C2NC3(CCCCCC3)CS2)c1 713202659 LULPUFZYUSNDOT-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 714286412 LCIOELMQNLIKMW-WOSRLPQWSA-N 288.822 4.982 30 10 CJEE CCCCCCC[C@@H](NCC)C1CC(C2CC2)C1 714461916 WJYUGPUUVCVGIX-OFLPRAFFSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc2ccccc2c1 715811020 GQPMRBMOMLDIIV-KBXCAEBGSA-N 253.389 4.703 30 10 CJEE C=CCCC(C)(C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] 717680254 SSNJFTZVNWBUFY-UHFFFAOYSA-N 284.306 4.689 30 10 CJEE CCCCCCCCCC(=O)C1CC2(CSC2)C1 718414138 NDQONPCNGRDGFH-UHFFFAOYSA-N 268.466 4.839 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cnc(C)s2)CC1 724596699 PBPBIMGXMJSMLM-OAHLLOKOSA-N 278.465 4.629 30 10 CJEE C#CC[C@@H](N[C@@H](CC)c1cccc(OC)c1)c1ccccc1 773106857 MDFMVJORHVJWAX-VQTJNVASSA-N 293.410 4.501 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2nc3ccccc3o2)CCCC1 1127527009 YSLQIEHLFLOGRL-ZDUSSCGKSA-N 299.370 4.569 30 10 CJEE C=CCCCCCCNC(=O)CC1CCCCCC1 1128748845 UJNGAXVBJIUDSQ-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=C(C)[C@@H](N[C@@H]1C[C@H]2CC[C@H](C2)C1)c1ccc(F)c(F)c1 1180954049 TVQNDKVSMWNRCG-VAGZCVSGSA-N 291.385 4.750 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1269821257 ZWVPIXBUPGZMEB-IAGOWNOFSA-N 286.415 4.777 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(O[C@H](C)CC)c1 1274086926 GBBBHXMWGYZMKO-CQSZACIVSA-N 287.403 4.571 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C2=CCCC2)cc1 1288552591 BDCKGSGOMFWUGO-UHFFFAOYSA-N 297.442 4.976 30 10 CJEE C=CCCCC[C@H](C)NCCCc1ccc(C)cc1C 1308901224 QWUFOEIVUWMQPI-SFHVURJKSA-N 273.464 4.961 30 10 CJEE C#Cc1cccc(N(CCCC)Cc2cccs2)c1 1459722984 KJCWCMSPBQXNOB-UHFFFAOYSA-N 269.413 4.536 30 10 CJEE C#CCCCCCCN(CC)[C@@H](C)Cc1ccsc1 1459998229 SZOJYPARPZYYCT-INIZCTEOSA-N 277.477 4.585 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCC2(CCCC2)O1 1460055814 OPJSUHBXWMONRG-LJQANCHMSA-N 299.458 4.557 30 10 CJEE C=C(Cl)CN1CCC[C@@]1(CC)CCc1ccccc1 1460709971 PYXGRGBVJGSTHL-KRWDZBQOSA-N 277.839 4.616 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1C 1461633979 SXVRZEPYOIRSOO-PBHICJAKSA-N 277.839 4.873 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1C 1461633994 SXVRZEPYOIRSOO-YOEHRIQHSA-N 277.839 4.873 30 10 CJEE COc1ccc([C@H](C)SCCc2ccc(C#N)cc2)cc1 1472982064 FOIYSASFVJRCAJ-AWEZNQCLSA-N 297.423 4.604 30 10 CJEE C=CC(C)(C)CCCNCc1cc2ccccc2o1 1474256849 ZILYJXNQLLVZEE-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H](C)CCC1CC1)c1ccccc1 1518517571 RYOKRMWLTNWZLZ-VQIMIIECSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 1524808394 HILBJYIIHUCVDQ-SJKOYZFVSA-N 291.822 4.510 30 10 CJEE N#CCCc1ccccc1-c1ccc(C(F)(F)F)cc1 1536117590 YPZGMGDHBYLZLZ-UHFFFAOYSA-N 275.273 4.829 30 10 CJEE C=CCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1536452068 PNEPWVIUBMGANL-ROUUACIJSA-N 299.458 4.821 30 10 CJEE C=C(C)[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccc(F)c(F)c1 1560764231 HSLAULYBSSBJSK-GGKPKWOWSA-N 293.401 4.996 30 10 CJEE C=CCCC(=O)Nc1ccccc1-c1ccc(C)s1 1588076160 GGLWTROXSDUWHV-UHFFFAOYSA-N 271.385 4.628 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(OCCC)c(C(C)C)c1 1597953038 SMUUEUOPIZQDJU-UHFFFAOYSA-N 289.419 4.894 30 10 CJEE C=CCCN(C)Cc1ccc2c(c1)c1ccccc1n2CC 1615180808 JLFXUCMBSDVJLE-UHFFFAOYSA-N 292.426 4.822 30 10 CJEE CC(C)(C)CCCNc1c(Br)cccc1C#N 1639516765 PTLPGUKHJQBABE-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C#CC[C@H](NCCCc1ccccc1Cl)c1ccccc1 1645100958 YKHFNNRHEGZWOT-IBGZPJMESA-N 297.829 4.627 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)(F)F)c(Cl)n1 1651095964 IGFZNUIBOAERIS-UHFFFAOYSA-N 292.732 4.768 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(OC2CCCC2)cc1 1658073605 FEVSAEBZRARKCL-QGZVFWFLSA-N 287.447 4.842 30 10 CJEE C#Cc1ccc(NCc2ccc(F)c3ccccc23)cc1 1658123515 SNRLQHORALISBB-UHFFFAOYSA-N 275.326 4.572 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1c2ccccc2CC[C@H]1F 1658780699 YNSXCTMVJRSPLT-CGTJXYLNSA-N 275.411 4.737 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 1665650497 FLMVJYOVWBMAJA-HOTGVXAUSA-N 270.420 4.734 30 10 CJEE CCCC[C@@H](CC)N=C1N[C@H](C2CCCC2)CCS1 1879353912 SLUJWOKYFHKBLG-CABCVRRESA-N 282.497 4.597 30 10 CJEE CC#CCCC[C@@]1(CNC(C)C)CCCC12CCC2 1879647893 QZSKRNLXXWHUKS-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CC#CCCC[C@@]1(CNC2CC2)CCCCC1(C)C 1879651185 QKWRMOWHGDWJJR-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCCCN(C)C[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 1883320929 XOIRODVTUXDCNG-RRFJBIMHSA-N 273.411 4.570 30 10 CJEE CC#CCCCC[C@]1(CNCC)CCCCC12CC2 1885237018 MVZIEJSKROUISV-GOSISDBHSA-N 261.453 4.520 30 10 CJEE CC#CCCCC[C@H](NCC)c1cccc(C)c1Cl 1885265801 TXOKKMFSWXSTMG-INIZCTEOSA-N 277.839 4.883 30 10 CJEE C=C(Br)CCSC[C@H]1CC[C@H](C)CC1 1886353484 ILTKUJCHPWIPIH-UMSPYCQHSA-N 277.271 4.845 30 10 CJEE C#CC[C@H](C[C@](C)(N)c1c(Cl)cccc1Cl)C1CC1 1887397973 QVKRCDNCPOOXAH-WBMJQRKESA-N 296.241 4.607 30 10 CJEE C=C[C@@H](CC)OCc1sc(Cl)cc1Br 1892989414 JZMNVKALAPQNHY-ZETCQYMHSA-N 295.629 4.645 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CCC2(CC2)C1 1907092266 CSLXDXKRCOFPTM-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE CC1(C)CCC[C@@H](N=C2N[C@@H](C(C)(C)C)CCS2)CC1 1911831594 FESBJSVPJPFPMX-ZIAGYGMSSA-N 296.524 4.843 30 10 CJEE CSc1cccc(N[C@H]2CCC3(CCCC3)C2)c1C#N 1916479899 UDFISVFDOVYAPE-ZDUSSCGKSA-N 286.444 4.805 30 10 CJEE C=C([C@@H](NCC)c1cc(F)ccc1Cl)[Si](C)(C)C 1922862504 IXGXCIQSRRENDF-CQSZACIVSA-N 285.866 4.563 30 10 CJEE C=C([C@H](CSC1CCCCC1)NCCC)[Si](C)(C)C 1922974676 URXAQLVUFHKEEF-INIZCTEOSA-N 299.600 4.854 30 10 CJEE CC(C)CN(Cc1ccccc1)c1ccc(Cl)cc1C#N 1931890193 OEVZJFZJMCKYIG-UHFFFAOYSA-N 298.817 4.874 30 10 CJEE CC[C@H](C)S[C@@H](C#N)[C@H]1CCC2(CCCC2)C1 1949504209 FDHHPYPJSLZKRP-IHRRRGAJSA-N 251.439 4.771 30 10 CJEE CCCCCCCCCCC[C@H]1[C@H](C(=O)O)C1(F)F 1951733957 JXSATOYDYCHSQU-QWHCGFSZSA-N 276.367 4.873 30 10 CJEE C=C1C[C@H]1C[C@@H](NC)c1cscc1OCc1ccccc1 1955302712 SGWPZSMLYSVFCF-DOTOQJQBSA-N 299.439 4.554 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)cc1 1964453259 OUXFIUHZZWCSRU-UKRRQHHQSA-N 283.337 4.540 30 10 CJEE C#CCCCCCCN[C@H]1C[C@@H]2CCCCC[C@@H]2C1 1967876558 MFALWKJMRVSPST-BCDXTJNWSA-N 261.453 4.519 30 10 CJEE Cc1ccc(C(C)C)cc1NCc1ccc(C#N)s1 1968596009 CDDLILBXIPWUME-UHFFFAOYSA-N 270.401 4.664 30 10 CJEE O=CC1(CC2(Br)CCC2)CCCCCCC1 1980140505 SUBPYJUOHVTKJZ-UHFFFAOYSA-N 287.241 4.624 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4.806 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCC[C@@H](C)CC2)CC1 2039359735 MNPFNNOWGCXBCD-COXVUDFISA-N 250.426 4.700 30 10 CJEE C=CC[C@@H](C)Nc1ccccc1SCC(F)(F)F 2040319002 KLQIXBYVPVHKMZ-SNVBAGLBSA-N 275.339 4.718 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)C1CCC(CC)CC1 2040525348 ISFKMOUSVBCMER-RDHHWEPZSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@]1(N)CCC[C@@H](P(C)(C)=O)C1 2042611841 QSBPNOUASXNNKM-HUUCEWRRSA-N 273.401 4.610 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@@H]1CC 2045801777 JFSFVCQDRRMKNC-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC1(C[C@H](O)Cc2ccc(Cl)cc2Cl)CCC1 2049028347 WJNFWDIAYPEPNQ-CYBMUJFWSA-N 285.214 4.643 30 10 CJEE C=CC1(CNc2ccccc2SC2CC2)CCC1 2049034152 YMQMNODYMZGQRK-UHFFFAOYSA-N 259.418 4.709 30 10 CJEE CCCCCCC[C@H](NCC)[C@](C)(F)C(C)(C)F 2049869877 MQVXDPOBQFANHQ-ZFWWWQNUSA-N 263.416 4.801 30 10 CJEE CC(C)c1nc(C[C@]2(C#N)CCC[C@@H](C)C2)cs1 2050597964 XMMDDCVQJYXIRS-DOMZBBRYSA-N 262.422 4.529 30 10 CJEE Cc1ccc(-n2ncc(C#N)c2C2CCCCC2)c(Cl)c1 2069775671 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OTSKVQVFVOMZPN-OFLPRAFFSA-N 269.473 4.530 30 10 CJEE SC[C@@H](CSc1nccc2ccccc12)C1CCC1 2089757842 HCCWVEGMOSBWQT-AWEZNQCLSA-N 289.469 4.673 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CCC[C@H]2C(F)(F)F)CC1 2092591338 STEJNYFYCLYGHY-YIFLHPOLSA-N 276.342 4.751 30 10 CJEE CCC1CCC(C#N)(C[C@H](OC)C2CCCC2)CC1 2093869889 VKVOCVYEGMWMQX-WIHSUSGWSA-N 263.425 4.692 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CC2(COC)CCCC2)C1 2094235416 KZESLKGEWSNCMP-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE CCCCCCCCCCC[C@H](NN)C1=CCCC1 2094857912 XIRRCCBCAYQYNF-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC 2096542027 IQVASAWIITZZHE-KZNAEPCWSA-N 257.421 4.515 30 10 CJEE C=C([C@H](NCC)C1(CC(F)(F)F)CCC1)C(C)(C)C 2096625882 VTTBYABUXDIXOJ-LBPRGKRZSA-N 277.374 4.690 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Cl)cc(F)c1F 2102104883 ICRPNAPXSCKBEL-ZUZCIYMTSA-N 287.781 4.871 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)cc1)NCCC 2102112143 QJWPQXTXMADDGC-WMLDXEAASA-N 279.855 4.853 30 10 CJEE CCCC1CCC(C#N)(CC[C@H]2CO[C@@H](C)C2)CC1 2103076487 NOCCYDLNCCZOEU-ORBLRFAASA-N 263.425 4.692 30 10 CJEE CCC[C@@H]1CCC[C@H](NC[C@@H](C#N)C(C)(C)C)CC1 2103223462 RAFHNDSKYABHQZ-OAGGEKHMSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCCC(=O)c1coc(CC)n1 2104277803 UZSWOMVHKOTJJB-UHFFFAOYSA-N 265.397 4.951 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1csc(C2CCC2)n1 2113528056 SEIIQFFIEZQYTP-LRDDRELGSA-N 274.433 4.673 30 10 CJEE C=C(C)CC[C@@]1(CNC2CC2)CCCCC12CCC2 2116971924 OQEYHWWPHVPNOV-GOSISDBHSA-N 261.453 4.825 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCCC2(C)C)c(Cl)c1 2117022734 BZOCMDODTQQQSO-KRWDZBQOSA-N 278.823 4.976 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H]1Cc2ccccc21 2117024184 IAXJNJXUFOBUIF-QAPCUYQASA-N 256.389 4.502 30 10 CJEE C=CCCC[C@@H](NCC)c1c(F)ccc(CC)c1F 2118734835 WLPSESAGZCSHFX-CQSZACIVSA-N 267.363 4.534 30 10 CJEE CCC(CC)(CC)CN=C1N[C@H](c2cccs2)CS1 2119019106 SCIGSWCQVNJTCJ-LBPRGKRZSA-N 296.505 4.698 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc2sncc2c1 2120627745 MVDRTAAEBWPRLO-WFASDCNBSA-N 274.433 4.549 30 10 CJEE C#Cc1ccc(N[C@H]2CCCc3sc(Cl)cc32)cc1 2120725312 CLTWJZPYRLSVIH-AWEZNQCLSA-N 287.815 4.872 30 10 CJEE Cc1cc(F)cc(Nc2cc(Cl)c(C#N)cc2F)c1 2120889934 WTOUPDJDDFSNCG-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCC[C@@](C)(C#N)C[C@H]1CCc2ccccc2C1 2121908848 WUFLOSXBEPXRPS-MAUKXSAKSA-N 255.405 4.902 30 10 CJEE C=CCCC[C@@H](O)c1ccccc1-c1ccccc1 2122683928 JPKYHZLPPDABJH-GOSISDBHSA-N 252.357 4.743 30 10 CJEE C=CCCCC[C@H](NC)c1cccc(C(F)(F)F)c1 2123080098 KAMBLEXBPPAAAW-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H](C)c1ccccc1 2123086506 TVHKUZPQHLQXJC-SJLPKXTDSA-N 259.437 4.905 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cc(F)cc(Cl)c2)C1 2125734632 ALXOFBWYCUOGRM-INIZCTEOSA-N 281.802 4.876 30 10 CJEE C=C([C@@H](NCC)C(F)(F)C1CCCCC1)C(C)(C)C 2128798305 YSQCZZUTKYVFAD-CQSZACIVSA-N 273.411 4.782 30 10 CJEE CO[C@@H]1CC[C@H](C2(C#N)CC(C)(C)CC(C)(C)C2)C1 2130766015 DYDZBCWDYWYTNF-UONOGXRCSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCc1nc(C)c(CNCC)s1 2131438342 OZTQAGUEMZHYJF-UHFFFAOYSA-N 282.497 4.854 30 10 CJEE CC1(C)CCC[C@@](C#N)(Cc2csc(C(F)F)n2)C1 2132204018 KUCQTDJIEZCMOL-CQSZACIVSA-N 284.375 4.733 30 10 CJEE C=CC1(CNCC(C)(C)C2CCCC2)CCCCC1 2132975048 FGNBGZUAHUOJPY-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE C=CC1(CNC[C@H]2C[C@@H]2C2CCCCCC2)CCC1 2135354396 KJKIJEXMUWGHEN-IAGOWNOFSA-N 261.453 4.539 30 10 CJEE CCCCCCC[C@@H](C)NCc1cc(C)cc(C)n1 2136999366 NAMHVHJFOCOREH-OAHLLOKOSA-N 262.441 4.537 30 10 CJEE CCCCCC#CC[C@@H](O)c1csc2ccccc12 2138947200 LQOYCYRFGSDJAQ-MRXNPFEDSA-N 272.413 4.909 30 10 CJEE CCCCCC#CCC(=O)[C@]1(C)CCCC(F)(F)C1 2139053278 RESGGZVEXORHQS-OAHLLOKOSA-N 270.363 4.745 30 10 CJEE C=CCCCCCC[C@@H](CC[C@@H](C)OC)NCCC 2141904916 GQDBFNFJOHFELA-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCN[C@H]1CC[C@H](C(F)(F)F)CC1 2141914396 QZIQYLMFYVURGD-HDJSIYSDSA-N 277.374 4.834 30 10 CJEE C=CCCCCCC[C@H](O)c1cc(C)ccc1OC 2141920865 HGPPDCNXOYRCRT-INIZCTEOSA-N 262.393 4.564 30 10 CJEE C=CCCCCCCCCCN(C)CC[C@@H](C)OC 2142396222 CCKBPALTDYBOOV-QGZVFWFLSA-N 269.473 4.650 30 10 CJEE C=CCCCCCCCCCO[C@@H](CC)[C@H](N)CC 2142405394 WLIZFZSTYTWWDI-SJORKVTESA-N 269.473 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1(OCCC)CC1 2142433895 HGKFNJGYZLAPHL-MRXNPFEDSA-N 267.457 4.580 30 10 CJEE CC(C)C[C@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1)C(C)C 2144874768 WUQYHWINWCNNKA-HOTGVXAUSA-N 291.822 4.835 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@H](O)C2(C#N)CCC(C)(C)CC2)C1 2146856292 YYCIUXDIGUVGRP-JJXSEGSLSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCCC(=O)C1(O)CC(C(C)C)C1 2147250037 LWRQRJNKIWDZLV-UHFFFAOYSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)C1(O)CCC1 2148586626 JHIDKVZGZIHVKN-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@H](O)C1CC1 2148587776 DOCHMFRXXDPWLO-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)C1(C)C(C)(C)C1(C)C 2149868652 AYVKHPQGUGGMJT-INIZCTEOSA-N 275.480 4.621 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](OC)C1CCCC1 2150137903 PFNHLFLTLABHSO-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CC1(CCN=C2N[C@@]3(CCCC3(C)C)CS2)CCCC1 2150545015 IYDMLQOVMQULMI-KRWDZBQOSA-N 294.508 4.598 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1F 2151927132 CUIOGTYAWCZSHO-LLVKDONJSA-N 288.753 4.718 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H](C)[C@H]3C(C)C)C[C@@H](C1)C2 2152949147 YVSDJKIWXYFLLN-SVVWJLDDSA-N 275.480 4.782 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cn(CCC)cn1 2154361471 OZTWUPBPTZKKQN-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCCO[C@H]1C[C@H](N)C12CCC(C)(C)CC2 2157079745 RLDOTEHNOMLBIJ-HOTGVXAUSA-N 281.484 4.660 30 10 CJEE C=CCC[C@@H](C)[C@@H](CCc1ccccc1C)NCCC 2158321545 VKRCQCCAFMLHFF-IEBWSBKVSA-N 273.464 4.898 30 10 CJEE CC[C@@H]1CCC[C@@H](CNC[C@@H](C#N)C2CCCC2)CC1 2159508866 GUGARBDMINGPKD-JFIYKMOQSA-N 276.468 4.512 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2C[C@H]3C=C[C@H]2CC3)C1 2159587912 RQQKIYYCYLHUGK-YESZJQIVSA-N 273.464 4.703 30 10 CJEE C=CCCOCC[C@@]1(CNC(C)C)CCC[C@H](CC)C1 2163894440 XZXSCENSJQEFMP-ROUUACIJSA-N 281.484 4.554 30 10 CJEE O=C(C1=CCCCCCC1)c1cncc2ccccc12 2163971263 MWXUGHPYKPJACJ-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE 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2289880198 HJXIIHMVWHBGMA-DAWZGUTISA-N 275.480 4.750 30 10 CJEE CCCCCCCO[C@H]1[C@H](NC)C(C)(C)CCC1(C)C 2290222693 NTPFHGITFQNJAY-HOTGVXAUSA-N 283.500 4.776 30 10 CJEE C=CCCCCCCC[C@H](OCCC(=O)O)C1CCC1 2291820221 WJUGPBNAZOJWAA-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC[C@H]2C[C@H]21 2293414346 SYGWSEACUQBTFO-KSZLIROESA-N 281.484 4.661 30 10 CJEE C#CCCCC[C@@H](Cc1ccc(Cl)c(F)c1)NCCC 2295163424 DPTKYSVGLUDZQA-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE CCCCCCCCC[C@H](C)NCC12CCC(CC1)O2 2295668126 FABSATFVLIFJIX-AOCRQIFASA-N 281.484 4.817 30 10 CJEE COc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2297297707 PDLPEQMTDHOXNF-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=CCC(CC=C)Sc1ccc(C#N)cc1Cl 2298931344 ZFRDLRHHVJDDNE-UHFFFAOYSA-N 263.793 4.825 30 10 CJEE CC[C@H](CS)COCc1ccc(Cl)c(Cl)c1C 2301400228 DHIIHAPOKAMOKB-JTQLQIEISA-N 293.259 4.774 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cscc1F 2304042131 TYTQVJJKEFQNBF-ZIAGYGMSSA-N 255.402 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)cc(Br)c1 2304042204 UOMQAGAQVQUHHA-CABCVRRESA-N 296.252 4.750 30 10 CJEE CC(C)(C)[C@](C)(CS)CSC[C@H]1[C@H]2CCC[C@H]21 2307093285 JNBZDWXBZWJDEA-QVHKTLOISA-N 272.523 4.748 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(COC)s1 2315106101 ZRHXKJTUFORTML-CQSZACIVSA-N 269.454 4.645 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)[C@H]1CCCC(C)(C)C1 2316712141 MFBMFQQMBNHYNZ-DOTOQJQBSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@](O)(CC)c1ccc(Cl)cc1 2316739252 PKNDWPZSBQYPDZ-MRXNPFEDSA-N 264.796 4.706 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H]2CCC[C@H]1CC2 2317014260 XKSMPHBITRFSDX-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CCCCC1)NCC 2321103354 YVOINPSYQOSTJY-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc2sccc2c1 2321146261 XCFGTWYGYNSLSC-HOTGVXAUSA-N 259.418 4.894 30 10 CJEE CC(C)Oc1cccc(C=NNc2ccc(Cl)cc2)c1 2322953083 WODKSSAFTLCDOB-UHFFFAOYSA-N 288.778 4.573 30 10 CJEE CC(C)C[C@H](CS)CSCCCOCC1CCC1 2328538378 JYWPIWWGGMIREW-OAHLLOKOSA-N 290.538 4.519 30 10 CJEE CC(C)CCN(CC(C)C)C[C@H](CS)CC(C)C 2328541092 LTQCNDFUNHZTMZ-MRXNPFEDSA-N 273.530 4.583 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2333962111 XZPRNTZLSAXTKF-ZDRBWGSPSA-N 263.469 4.760 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2338748563 BYWRVUUFKVOVOR-DZOHQFGASA-N 261.453 4.559 30 10 CJEE CCCCCCCCC[C@@H](C#C[C@H]1CC1(C)C)NC 2339570071 UEZPWLQDVMAGGD-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@](C)(O)C#C[C@@H]1CC1(F)F 2340996974 IAUBZAPHUZNIRY-CABCVRRESA-N 272.379 4.537 30 10 CJEE CC1(C)CCC[C@](C=O)([C@H](CC2CC2)C2CC2)CC1 2343967701 WRKNINDJSJTKCV-AEFFLSMTSA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1csc(COC)c1 2344337617 SETVPHCASTXJHJ-HOTGVXAUSA-N 281.465 4.538 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC 2344371890 NUCZYERIJBFGGQ-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(C(C)C)cc1 2344383247 HYNLKQVSLTWFRM-QZTJIDSGSA-N 259.437 4.672 30 10 CJEE CSc1cc(NCCCC2CCCC2)ccc1C#N 2353834925 PSMXEBQYXFDYFK-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1C[C@H]1C1CCCCC1 2359394599 QYCLGMSKMSHSEM-RCCFBDPRSA-N 274.448 4.560 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NCCC)C[C@H]2[C@@H]1C2(C)C 2360205042 JDVCHHSFXFOUGP-VVLHAWIVSA-N 293.520 4.653 30 10 CJEE C=CCCCN(Cc1ccccc1)Cc1ccccc1 5631183 DTCWCPQZAZXNKK-UHFFFAOYSA-N 265.400 4.655 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(OCC#N)cc1 22154348 JCQFOXIEWZCFFY-IRXDYDNUSA-N 286.419 4.606 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37147237 CHRSUTGLXDGBRZ-JCHJZTRSSA-N 284.447 4.583 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 37256600 VCZURQJNHMMTEM-ZWNOBZJWSA-N 282.309 4.568 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F 37393237 HTMGREKKRSNAEH-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCOc2ccccc21 37766222 JZOLRXGLEWZTLC-HNNXBMFYSA-N 297.423 4.900 30 10 CJEE COc1ccc(C(C)C)cc1C[C@@H](C#N)c1ccc(C)cc1 57761180 CJLAQQKOJTWZFA-IBGZPJMESA-N 293.410 4.977 30 10 CJEE CC(C)c1cccc(/N=C2/N[C@@H](c3ccccc3)CS2)c1 63001669 OOGFGWJGTUFSPX-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE C[C@H]1CC[C@H](C)[C@H](Nc2cccc(OCCCC#N)c2)C1 68625342 VNVBWPHTVYUGRL-RLFYNMQTSA-N 286.419 4.606 30 10 CJEE CCCCCCn1cc(C(=O)CC#N)c2ccc(C)cc21 84873627 XNBGSIRMLMWTNB-UHFFFAOYSA-N 282.387 4.626 30 10 CJEE C=CCc1cc(N)ccc1OCc1ccc(C(C)C)cc1 89064538 OQTJJHJPGYGQLW-UHFFFAOYSA-N 281.399 4.700 30 10 CJEE C=C(C)[C@@H](NCCC)C1CCC(C(C)(C)C)CC1 92116905 ONVBUPROHJKAIO-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCC1(C)CCN(CC2(CS)CCCCCC2)CC1 94579478 CBGWABMFHNXRSU-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C)nc2ccccc12 97419358 DTDGYYDAFIGZCR-GOSISDBHSA-N 282.431 4.940 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)c(C)cc1OCC 107621196 HUUYFHDPQMGSOB-LLVKDONJSA-N 250.769 4.564 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CCCCC)C(C)C 110021551 GFLYYIMJPPBSPB-SFHVURJKSA-N 284.532 4.965 30 10 CJEE CCCCCCCO[C@H](C(C)C)[C@H](NC)c1ccccc1 110081444 FPUSQCIOGSINFQ-RTBURBONSA-N 291.479 4.959 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H]2CC[C@@H]1O2 112311600 AKIVHJGMUMASBH-ZOBUZTSGSA-N 266.425 4.654 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCOC1 114997751 IDOGNUKFTDSZEJ-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@H]1C 115237359 IXFCVTBMXCCPRE-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](OC)C(C)(C)C 123387264 CGVZMJWPRAMBLH-HZPDHXFCSA-N 272.473 4.939 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OCC)nc1 127467313 ACMSWGIDZSSQEH-CQSZACIVSA-N 264.413 4.641 30 10 CJEE CCCCCCCCCCNCc1cc(CC)nn1CC 129365342 FMNPXRYEXAAJKF-UHFFFAOYSA-N 293.499 4.696 30 10 CJEE C=C(C)C[C@H](O)c1ccc2cc(Br)ccc2c1 129699519 MPJDNSYKRGHMIR-HNNXBMFYSA-N 291.188 4.602 30 10 CJEE C=CCC[C@H](C)Nc1cccc(C)c1Br 132041281 KUDTUOUQAAYNHV-NSHDSACASA-N 268.198 4.524 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CC(C)(C)OC1(C)C 133207097 PBYXKDGDEUZGBI-HUUCEWRRSA-N 269.473 4.658 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 156189585 SIZZYSKIRXTOPB-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE COc1ccccc1OCCC1(C#N)CCCCCCC1 156745608 XDWWIGBTZUPTRP-UHFFFAOYSA-N 287.403 4.718 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)c(F)c2)CCCCCCC1 156811417 BIQZIMOKOHDNOV-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC1 158333656 YZFDQWANNUJQAX-FZMZJTMJSA-N 296.336 4.958 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cscn1 158561902 YHFPBACERBIBFK-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCCNc1ccc2scnc2c1N 160762480 AVJYRVBMEYOHKC-UHFFFAOYSA-N 277.437 4.651 30 10 CJEE C=C(C)CCC(=O)C1(c2ccccc2)CCCCC1 164477451 IRSCXTBOPVVHMZ-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE CCCCCCCCCCNc1cnnc(Cl)c1 164969657 RLCUPKPSESVPAD-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE Cc1cc(C#N)ccc1CNc1cccc(Cl)c1Cl 165189060 NKZMJSRNCLCNDL-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCC/C=C(\I)CC 197935305 GVXGLGJVTVOFIL-KTKRTIGZSA-N 266.166 4.686 30 10 CJEE C/C=C/[C@@H](CCCCCCC)CC(=O)N(CC)CC 207057954 GTXPLCMSAIEGCV-XNWJVHIKSA-N 267.457 4.798 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2C(C)C)cc1 215027462 NKRJUYOEJXPDGL-MOPGFXCFSA-N 287.447 4.556 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3[nH]2)C1 222250900 NGUIPDPCTFMXFS-IOASZLSFSA-N 299.443 4.764 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CC)OCC 227393375 VBCXDWXPGDKFRF-INIZCTEOSA-N 256.430 4.901 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@@H]1CCCCN1 232938707 FWFQMKBKLLJSBA-CVEARBPZSA-N 257.437 4.997 30 10 CJEE CCCCCCCCCc1nc2c(Cl)cccn2c1N 232963156 VVEWHXJQENLNEO-UHFFFAOYSA-N 293.842 4.863 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(F)cc1F)NCC 233537740 KLTHCMJYBPXCJM-INIZCTEOSA-N 281.390 4.622 30 10 CJEE Cc1ccc(NCCCCC(C)(C)C#N)c(Cl)c1 235761938 NSIMPZGQUBMJGC-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)cc(Br)c1 235762508 XCWPTWGHGBHPEW-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1[C@H]1CCCC1=O 250839950 XCYFLZNLZCKREJ-MSOLQXFVSA-N 293.495 4.961 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2Cc3ccccc3S2)C1 252641676 MCRUQKQESITHJG-FRFSOERESA-N 271.429 4.814 30 10 CJEE CSc1ccc([C@H](CC#N)C2CC2)c(SC)c1 260104012 GGAMGMLKMNTXJI-GFCCVEGCSA-N 263.431 4.538 30 10 CJEE CC(C)n1c([C@H](C)C#N)cc2c(C(F)(F)F)cccc21 260201555 YTBSGYZULFQBGC-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(C)cc(C)n2)C1 299950329 FTOKCDKLJRWBJR-RBSFLKMASA-N 274.433 4.509 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300514648 AUPRSRNBXWAJGQ-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)C(C(C)C)C(C)C)CC1 312286373 SYTSBYIRQZFQAE-IIIMJFFVSA-N 279.468 4.632 30 10 CJEE N#CC1(c2ccc([N+](=O)[O-])cc2Cl)CCCCCCC1 312569263 IZJPDHBUWGOWQG-UHFFFAOYSA-N 292.766 4.754 30 10 CJEE C=CCCC[C@@]1(CNC(C)C)CCc2ccccc2C1 317835119 DZKFISLJDDIZIT-LJQANCHMSA-N 271.448 4.516 30 10 CJEE CCCCCCCOCc1cc(C)nc(NCCC)c1 320899094 NWMLMJMGAKGQLQ-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE CCCCCCCCOCc1cc(C)nc(NCC)c1 321401908 QEBQTEBHQTYZOH-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE C=CC(C)(C)CN[C@@H](Cc1cccs1)c1cccs1 384875512 SBCJHBLDFQMJFP-AWEZNQCLSA-N 291.485 4.895 30 10 CJEE C=C(COC(C)C)[C@H](NCC)c1csc2ccccc12 387677658 RJOUPINWBCJZEJ-KRWDZBQOSA-N 289.444 4.533 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 388563678 PYWQXZJHVZAASN-RISCZKNCSA-N 269.310 4.995 30 10 CJEE CC(C)C1CCC([C@@H](C#N)NC2CCCCCC2)CC1 394202423 AHHJGPNMLSHXJF-LEOMRAHMSA-N 276.468 4.653 30 10 CJEE C=CCCCCC[C@H](O)c1csc2c1CCCC2 399841254 GISJKJPJOCUYSB-HNNXBMFYSA-N 264.434 4.797 30 10 CJEE CC[C@H](OCc1ccc(C#N)cc1C)c1ccccc1 403206053 OMIWYGYTDXMBTN-SFHVURJKSA-N 265.356 4.535 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccncc2)C1 651704360 GTNUCJKUXIPFAD-NSISKUIASA-N 292.426 4.505 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)cc1OC 686701973 WKOROEJKIBSTPM-INIZCTEOSA-N 293.838 4.583 30 10 CJEE C[C@@H]1CCCCC[C@]1(C#N)Nc1ccc(Cl)cc1 691101979 KNNCCLDEYKMTTO-IUODEOHRSA-N 262.784 4.614 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(SC)cc1 692190790 LVXQYFSXASVCFP-DOTOQJQBSA-N 275.461 4.633 30 10 CJEE C=C1C[C@H]2CC(NCc3ccc(CC)s3)C[C@@H](C1)C2 697303750 FCRVWMTVPSUSCE-YIONKMFJSA-N 275.461 4.535 30 10 CJEE CCCCCCCCCC[C@H](NC)c1nc(C)c(C)[nH]1 699927087 IJEGTVRYOXIQNL-INIZCTEOSA-N 279.472 4.818 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CCCC2CCC2)C1 701520805 DSMRGJGLPVHHAG-FGTMMUONSA-N 276.468 4.607 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 702172418 KPYUKUPMASBKQU-BJOHPYRUSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(N)CCC[C@@H](C)C1 702887566 GRSMWDKKKVUQPC-FGTMMUONSA-N 283.500 4.786 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CSCc2ccccc21 704046302 KBQQIHUFCHPVLB-MRXNPFEDSA-N 275.461 4.557 30 10 CJEE CCCCCCCCCC[C@]1(N)CSC[C@@H]1C 704855308 WPQOVPNUKKYXJO-GJZGRUSLSA-N 257.487 4.598 30 10 CJEE C=C(C)CC[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C 710770800 XYHMXIWHKMAOFV-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CCCCCCCNc1cccc(C(F)(F)F)c1N 717200947 WJYVUMHPRDFXGV-UHFFFAOYSA-N 274.330 4.670 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2C[C@H](C)O[C@H](C)C2)CC1 724373435 FORMWGLYKPGUNW-HTWWFHKTSA-N 280.452 4.612 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cncc(C)c2)CC1 724557375 DEHUYQUZNJXPKK-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C/C(=C\C(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C 817320164 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YBLCCLGHHKOZJN-INIZCTEOSA-N 277.456 4.619 30 10 CJEE CCSc1cccc(NCC23CCC(CC2)C3)c1C#N 2150865152 WYZYNCNQJQYLNU-UHFFFAOYSA-N 286.444 4.662 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1cccc2sccc12 2151190743 ZDYQAQPPEZBWMP-HNNXBMFYSA-N 290.428 4.805 30 10 CJEE C=C([C@H](NC)C1(OCC)CCC(C)(C)CC1)C(C)(C)C 2152926115 OOZVIPZJKJLMBI-HNNXBMFYSA-N 281.484 4.552 30 10 CJEE Cc1cc(Cn2ccc3c(Cl)cccc32)ccc1C#N 2153519468 PTZAQVVZXILCDG-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C(C)(C)C2(F)F)CC1 2153649422 RUXKBRZJTIEIAI-LSDHHAIUSA-N 285.422 4.782 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SC2CCCC2)CCC1(C)C 2155400021 IDJCMWKGIWWSKM-RDJZCZTQSA-N 294.508 4.503 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1csc(-c2ccc(F)cc2)n1 2158315797 FYWHEUACEBBPFL-XHDPSFHLSA-N 291.391 4.585 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@]1(OCC)CCC[C@H](C)C1 2158320174 JKLDGNZDUKEEIX-XLAORIBOSA-N 281.484 4.552 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2nc([C@H](C)CC)ns2)C1 2158891096 PEWGGBMKUPPEFN-IOASZLSFSA-N 291.464 4.704 30 10 CJEE C=C1CC(CNCCC)(Cc2ccccc2C(C)C)C1 2159595865 XWMYVFWXMJUQRE-UHFFFAOYSA-N 271.448 4.689 30 10 CJEE CC(C)c1nc(C2(C#N)CC(C)(C)CC(C)(C)C2)ns1 2163471686 XUMNEUZMCQVTFR-UHFFFAOYSA-N 291.464 4.659 30 10 CJEE CC(C)(C)c1ccccc1C(=O)C1=CCC(F)(F)CC1 2163627863 YUHIVGBBVYBLIC-UHFFFAOYSA-N 278.342 4.912 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccn(C2CCC2)n1 2164181141 YOGYXUCPDFDMLG-MRXNPFEDSA-N 277.456 4.619 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1 2164477894 PCVJNHWUEWLDNJ-CLROSIBMSA-N 275.392 4.547 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1c(F)cccc1Cl 2164480529 UCUKYVLICZNAOE-HZPDHXFCSA-N 297.801 4.797 30 10 CJEE C#CCCCCC[C@H](NCCC)C1[C@@H]2CCCCC[C@@H]12 2167246304 VHEYXGPJMVLOHS-KURKYZTESA-N 275.480 4.765 30 10 CJEE C#CC(C)(C)C[C@@]1(CNC2CC2)CCCC(C)(C)CC1 2167606071 BXZAAHWNEADHST-LJQANCHMSA-N 275.480 4.765 30 10 CJEE CC(C)C1CCC([C@@H](C)Nc2ccccc2C#N)CC1 2168409842 ZYZIZRCACSQMBE-QQFBHYJXSA-N 270.420 4.821 30 10 CJEE CC1(C)CCC([C@@H](O)[C@@]2(C#N)CCCC(C)(C)C2)CC1 2168547954 LHMLAKRCPKEWHQ-QAPCUYQASA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](O)C(CCC)CCC 2172282720 XBPPJTRJNNDQOU-ROUUACIJSA-N 285.516 4.902 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NC)[C@]12CCCC2(C)C 2173667004 TVGQVDKOPFMQKH-JFIYKMOQSA-N 281.484 4.530 30 10 CJEE CCCCCCC[C@H](NCC)c1cc2c(ncn2C)s1 2175236345 MEHFZSWCPMQZHQ-ZDUSSCGKSA-N 293.480 4.646 30 10 CJEE CCCCCCCCO[C@@H]1CCC[C@@H](NCCC)[C@H]1C 2175713755 PCANRMKDDIKPPG-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CCc2ccccc2C1 2178372609 BOTIUGWUPLHERC-LPHOPBHVSA-N 274.448 4.903 30 10 CJEE CCCCCCC[C@@H](CN)N(C)C1CC(CCCC)C1 2180044415 UTFBOCBWXGOXHI-ADKAHSJRSA-N 282.516 4.575 30 10 CJEE C=C1CC(C[C@@](C)(O)c2oc3ccccc3c2CC)C1 2182127040 AHIGXFBKLPSJGJ-GOSISDBHSA-N 270.372 4.559 30 10 CJEE C=C1CC(C[C@@H]2CCCc3ccccc3[C@@H]2NCC)C1 2182165858 OCEOZJZKXLCTIZ-PKOBYXMFSA-N 269.432 4.646 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H]1C(C)=CCC[C@H]1C 2187477268 UZBFWDFICSQDMW-KURKYZTESA-N 291.555 4.618 30 10 CJEE Cc1nc(NC2CC(CC(C)(C)C)C2)c(Cl)cc1C#N 2188236017 CTUVGVLJSLNMLR-UHFFFAOYSA-N 291.826 4.542 30 10 CJEE CCCCCCCCOC[C@@H](NCC)C(C)(C)C(F)F 2193077292 DDZJWROAZUAKSO-CQSZACIVSA-N 293.442 4.633 30 10 CJEE C=C([C@@H](NCCC)[C@@](O)(CC)CCCCC)C(C)(C)C 2193618887 PBTXDQMXQFGSGE-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE CC#CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 2194065022 FLHQKJVYQNUJRU-RCCFBDPRSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCN(C[C@@H]1CCOC1)C(C)(C)C 2195535739 SERHUZZPGCSLJL-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCCN(C)CC1(N(C)C)CCC1 2195683753 CKTJGEJVWQHHFN-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE C=CC[C@@H]1CCCCN(CC(C)(C)c2ccccc2)C1 2195941805 LEIUQSTXNBAOEI-QGZVFWFLSA-N 271.448 4.642 30 10 CJEE CC#CCCCCN(C)Cc1cc2c(s1)CCCCC2 2196210843 NCFDYWLYHHUCTO-UHFFFAOYSA-N 289.488 4.642 30 10 CJEE C=C1CC(C[C@](C)(N)c2oc3ccccc3c2CC)C1 2196596436 YOAPXGWXLBAKAB-SFHVURJKSA-N 269.388 4.525 30 10 CJEE C=C(C)CCC(=O)C1(O)CCCCCCCCCCC1 2196596683 AUJDWUHODZRPFX-UHFFFAOYSA-N 280.452 4.948 30 10 CJEE C=CCCCCCC(=O)[C@@H](O)c1ccc(C(C)(C)C)s1 2196599069 VYAUVXXWJDIFHQ-MRXNPFEDSA-N 294.460 4.785 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](O)CC)cc1 2196729506 ZNWSBAUIOGEOPZ-GOSISDBHSA-N 277.452 4.927 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](O)[C@H]1C[C@@H]1CC 2199898066 ZHEDYGNXQNVKNK-XLAORIBOSA-N 283.500 4.512 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H]2C[C@H]2C2CCCC2)C1 2200333142 ULHACZSXOUHUFB-ROUUACIJSA-N 275.480 4.785 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1C[C@@H]1C1CCOCC1 2200489874 MFCUENIYNJGWAS-LZLYRXPVSA-N 275.436 4.549 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ccc(F)cc1C 2203788251 WMULAQOTMMCLJS-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C=CCCCCCCN=c1[nH]nc(C2CCCCC2)s1 2205083993 ZSJPFJDDQWNUCH-UHFFFAOYSA-N 293.480 4.556 30 10 CJEE CSc1cccc(N(C)[C@@H]2CC[C@H](C(C)C)C2)c1C#N 2206176435 YJRVHRVYMDUNIJ-UONOGXRCSA-N 288.460 4.541 30 10 CJEE C=CCCCCCCN1CC2(CCCCCC2)CC1=O 2206898621 SSZOJYNVAMSBIP-UHFFFAOYSA-N 277.452 4.696 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@H]1C[C@H]1C1CCCCC1 2206900123 QGNDTPWPKVXVLR-KSZLIROESA-N 278.484 4.561 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H](OCC)C(C)C 2206900401 SUTSHBBHVFZBSD-ROUUACIJSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](O)(C(C)C)C(F)F 2207374118 APJJFMZYGUWBTG-INIZCTEOSA-N 290.394 4.515 30 10 CJEE C=CCCCCCCCCN1CCO[C@H]2CCCC[C@H]21 2207375731 HDGJQJBLNLFBMK-MSOLQXFVSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCCCCOCC1CC(NCC)C1 2207389639 FELMPSUGXMPXLM-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@]1(O)CC[C@H](C)C1 2207402556 CSLGCQPRXYHZRX-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H](O)CCCC 2207412286 WOMNSGWEQBLCPW-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ncc(F)cc1F 2207425321 PFQVYHAEKXIYSP-HNNXBMFYSA-N 283.362 4.700 30 10 CJEE CCCCCCCCc1nc(CCC)n(C(C)C)c1N 2207444267 HZZYVUUEAIOUFK-UHFFFAOYSA-N 279.472 4.902 30 10 CJEE C=C[C@@H](CCCCC)Oc1cccc(Br)c1N 2216941175 NMMJXLJTLYQTQP-NSHDSACASA-N 298.224 4.545 30 10 CJEE CCCCCCCC[C@H](C)NCCC(F)(F)F 2217313517 MAJXUCQDOKLAIQ-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NC 2220273909 JNQBKOYVKSGDGS-BXUZGUMPSA-N 286.246 4.726 30 10 CJEE CCCCCCCC[C@](C)(N)CC#CC(C)(C)C 2223827927 GPCAJQUBQMQDJZ-KRWDZBQOSA-N 251.458 4.894 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225295119 JVJJFOULFSFWOB-JYAVWHMHSA-N 274.795 4.592 30 10 CJEE C=CCCCCCCCCOC[C@H](C)CNCCC 2225677100 SRZJULOYYBUZRH-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE CC[C@H]1NC(=NCCCCCCC2CC2)S[C@@H]1CC 2225812031 QURICWSQOFSJPS-HUUCEWRRSA-N 282.497 4.597 30 10 CJEE CCCCCCC[C@@H](N)c1ccc([C@@H](C)OC)cc1 2226604315 GITXHEMLZKSVBN-RHSMWYFYSA-N 263.425 4.754 30 10 CJEE C=CCCCCCCCN[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2227267748 JPJQSYOLJYZWKJ-RBSFLKMASA-N 271.395 4.536 30 10 CJEE C=CCCCCCCCC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2227270905 HQDHKIFHSNJVPT-OTRWWLKZSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H]2C[C@@H]21 2227272280 MPBHOVGNWOSVBT-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncsc1C1CC1 2227285079 TYGONKSXEXNKDG-CQSZACIVSA-N 278.465 4.937 30 10 CJEE C=CCCCCCCCC(=O)C(O)(C(C)C)C(C)C 2227289635 AOVDTCQHCUVUNU-UHFFFAOYSA-N 268.441 4.515 30 10 CJEE CCCCCCCCCC1(O)CCC2(CCO2)CC1 2227386421 UTWYXKQZGZUWOB-UHFFFAOYSA-N 268.441 4.591 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccnc(F)c1 2228987652 GTGHCABHGCESPQ-HNNXBMFYSA-N 267.388 4.785 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)[C@]1(C)CC=C(C)CC1 2229031589 YZETYSNMWCFOSR-SJLPKXTDSA-N 261.453 4.541 30 10 CJEE CCCC[C@H](C)CC[C@H](N)C#Cc1ccc(Cl)cc1 2231091537 KNSGCCZZKPUGLE-YOEHRIQHSA-N 277.839 4.625 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(C)c(F)c1F 2231244207 YMWUASZOQYFWKG-BLLLJJGKSA-N 267.363 4.526 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](C)OC(C)(C)C 2231924076 FKAQRGWDXYCVHF-CVEARBPZSA-N 271.489 4.919 30 10 CJEE CC=CCCC[C@@H](N)[C@@](C)(O)CCCCCCCC 2231930156 UFSXHCPMPVHGGZ-SJORKVTESA-N 269.473 4.562 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(Cl)cnc1OC 2232983446 NZWYFOAGARWBBJ-OAHLLOKOSA-N 298.858 4.755 30 10 CJEE FC1(F)[C@H]2CCC[C@H]1CC(CC[C@@H]1CCC[C@H]3O[C@@H]13)C2 2233689496 HYJZTKFGVHRWBH-GVRJEKJASA-N 284.390 4.796 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCCSC1 2233725826 ZVILLTSZLMBHHP-APIJFGDWSA-N 299.430 4.875 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1cccc(C)c1 2235542071 OINLVGGHPZIHJA-GOSISDBHSA-N 274.404 4.514 30 10 CJEE C#C[C@H](N[C@@H](C)c1cc(F)cc(Cl)c1)C1CCCCC1 2237998741 SIHXOMRYPWVIEL-SJCJKPOMSA-N 293.813 4.712 30 10 CJEE C=C(c1ccccc1)[C@H](CCCC(C)(F)F)NCCC 2238195772 VXDLBLKNUISIHE-INIZCTEOSA-N 281.390 4.894 30 10 CJEE CC(C)(C)C#CCCN[C@H](c1ccc(Cl)cc1)C1CC1 2239126762 BQIACFQJHNSOHG-KRWDZBQOSA-N 289.850 4.820 30 10 CJEE N#CCN(CCCCCCCC1CC1)CCC(F)(F)F 2239409387 FKFVCPAHYYONKL-UHFFFAOYSA-N 290.373 4.515 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)C[C@H](C)C(C)(C)C 2239455664 ABKZBPDFRPOXAZ-YOEHRIQHSA-N 291.866 4.742 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](N)c1cc(C)cc(Cl)c1 2239482603 JNPWZPZJQPTLJI-SJORKVTESA-N 295.854 4.800 30 10 CJEE CCCCCCCCCOC[C@H](O)c1ccccc1C 2239542002 AFNBWMVWNGPQLA-SFHVURJKSA-N 278.436 4.796 30 10 CJEE O=C(C#Cc1ccc(Cl)cc1)[C@@]12CCCC[C@H]1CCC2 2239556374 IDZIHTQXFBPKOU-MAUKXSAKSA-N 286.802 4.621 30 10 CJEE CC(C)c1ccc([C@@H](N)C#Cc2cccc(Cl)c2)cc1 2239559989 WJQAUWGWYHSEHI-SFHVURJKSA-N 283.802 4.515 30 10 CJEE C=CCC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C)CC 2240216687 ZROHLCLDCNFRKZ-HZPDHXFCSA-N 275.436 4.617 30 10 CJEE CCCCCCCC[C@@](C)(O)c1nc2ncccc2s1 2240613324 HXMVYEUJFUOHSS-MRXNPFEDSA-N 292.448 4.649 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1C[C@@]12CCCOC2 2240616544 RYTKNBLIZZZCCB-FGTMMUONSA-N 282.468 4.695 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@@](C)(O)CCCCCCCC 2240665838 HKWZWVZHURWDBW-KSZLIROESA-N 283.500 4.678 30 10 CJEE C=CCN(CCCC[C@H]1C[C@@H]1C)Cc1ccccc1 2241388398 IVFMKCMCHQMXOH-WMZOPIPTSA-N 257.421 4.501 30 10 CJEE C=CCCCCCCCS[C@H]1CCC[C@@H]1C#N 2250062287 OQNZZIMJHSXUMB-CABCVRRESA-N 251.439 4.938 30 10 CJEE CCCCCCCCCCC(=O)O[C@@H](C)C(F)F 2258200887 OTNNAXGCMXKUMG-LBPRGKRZSA-N 264.356 4.714 30 10 CJEE C=CCCCS[C@@H]1CCCCC(C)(C)[C@@H]1NCC 2258981479 PCOZPGWYVGJAMI-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE C=CCCCSc1ccc(C[C@H](N)CC)cc1Cl 2259010854 YZFXBPSMYPLGAP-CYBMUJFWSA-N 283.868 4.678 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@H](F)C1 2259194660 LUFXEERKMCLZKW-PMPSAXMXSA-N 255.421 4.629 30 10 CJEE C=C(C)CCCC[C@H](C[C@H](C)C(F)(F)F)NCC 2259212331 OXFOFCGZABRWAJ-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=C(C)CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 2259238842 KGOPCRYGSYGXDN-OAGGEKHMSA-N 252.442 4.946 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1cc(C)c(Cl)s1 2261051988 WILCNFRCPLEDSK-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE CC1(C[C@]2(C#N)CCCC23CCC3)CC(F)(F)C1 2263679341 CEBMQCHMCWLWBM-AWEZNQCLSA-N 253.336 4.676 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@H]1CCCCC12CC2)NCC 2264850014 XEYQEPDVCKHNLS-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CCCC(C)(C)CNCC[C@H]1CCCCC12CC2 2265007938 ZJIDXYGEUFYJMD-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C(C)(C)C(C)(C)C 2268815704 JNOINOHAOMUMMN-OAHLLOKOSA-N 263.469 4.643 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCOc1cc(Cl)ccc1C#N 2269398095 LPCMDHOLUQBTQC-OLZOCXBDSA-N 277.795 4.807 30 10 CJEE C[C@H]1C[C@@H]1CCCCCNc1ccc(C#N)cc1Cl 2269486123 RJZKIZYSAYWPOI-JSGCOSHPSA-N 276.811 4.840 30 10 CJEE Cc1cc(NCC=CC#CC(C)(C)C)cc(C)c1C 2270594835 RYHCNQYFLFHQRY-UHFFFAOYSA-N 255.405 4.629 30 10 CJEE CCCCCCC[C@@H](N)c1nc(C)cc2sccc12 2270610885 OQIGUDWWUYVMOH-CQSZACIVSA-N 276.449 4.965 30 10 CJEE C=CCCCCCCCSCCC[C@@](C)(C#N)NC 2271516854 UPNGKHDHULLVFF-INIZCTEOSA-N 282.497 4.528 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(C)c(F)c1F 2273936025 JPZIGNHAYIPZJH-CQSZACIVSA-N 269.379 4.504 30 10 CJEE C=CCC[C@@H](C)[C@](CC)(CCC(C)C)OCCCN 2276386947 ZLVUDVJBUJBAQS-SJORKVTESA-N 269.473 4.539 30 10 CJEE CC#CC[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2277883643 DUSKCKKESJTXIY-LLVKDONJSA-N 289.366 4.529 30 10 CJEE CCC1=CC[C@H](CCC23CC4CC(CC(C4)C2)C3)C1=O 2279757599 JJYSQGNUCONVGP-MUGCCGGLSA-N 272.432 4.908 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2cccnc2s1 2280184911 SQFSTCGNAXSNGG-CQSZACIVSA-N 291.464 4.551 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cccc(Cl)c1OC 2283154039 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C=CCC[C@](C)(C[C@H](CC)CCCC)OCCC(=O)O 2290623406 IVJKEGLAGPEONS-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE C=CC1(C[C@@](C)(CCCCC)OCCC(=O)O)CCC1 2290719851 UMOJQEUDMHZZEA-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCCC1(OCCC(=O)O)CCCCCC1 2290913840 DBIKUJKCGKHHAE-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE C=C1C[C@@H]1C[C@@H](CCCCCCCCC)OCC(=O)O 2291034727 UZUPTELLZFOAJO-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE C=C(C(C)(C)C)[C@@](CC)(CCCCC)OCCC(=O)O 2291127329 MXILCEVFVXYXCG-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=C(C)CC[C@](C)(OCCCN)[C@@H]1CCCC(C)(C)C1 2292899615 RRARBLGUYIQDNM-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@](C)(C[C@@H](C)C(F)F)OCCCN 2292907742 FBYIMPDTBGATSW-ZBFHGGJFSA-N 291.426 4.538 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)C(C)(F)F)OCCN 2293532190 APMIOHPSDTXEDD-AWEZNQCLSA-N 293.442 4.762 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1COC(C)(C)C1 2295674304 PVTVSKFKAMUPLW-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(CCC)NCCC 2295763267 GWIKEYFUGNJFEX-DLBZAZTESA-N 298.540 4.998 30 10 CJEE CCC(=O)C=Cc1ccc(-c2ccc(Cl)cc2)o1 2296515303 SPPPLXHLSPDAFO-UHFFFAOYSA-N 260.720 4.592 30 10 CJEE CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1F 2297331724 ZOBJEWJIQDXIIL-UHFFFAOYSA-N 289.737 4.678 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Cl)c1[C@@H](C)NC 2298934660 BODNEUYLQQTSPT-GHMZBOCLSA-N 269.841 4.677 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1csc(Cl)c1 2300178373 IBFNUILSCFFTFE-LOWVWBTDSA-N 269.841 4.797 30 10 CJEE C[C@@H]1CCCC[C@@H]1OC[C@](C)(CS)C(C)(C)C 2307099922 FTDYCZWURHTYNM-VNHYZAJKSA-N 258.471 4.564 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CC[C@@H]2C[C@@H]21 2308151800 BZUCTTMEHSNCDV-QBPKDAKJSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1CCC[C@@H]2C[C@H]12 2312410331 UMKPVSSFVVJKAY-LTIDMASMSA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)[C@H](N)Cc1ccc(Cl)cc1Cl 2316742869 WQPPUKBQJHWLJB-OAHLLOKOSA-N 284.230 4.632 30 10 CJEE C[C@@H]1[C@H](OCC2(CS)CCCCCC2)CC1(C)C 2318267089 YFKSMNCTQQKMAB-ZIAGYGMSSA-N 270.482 4.708 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NCC 2320252472 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CCCCCCCCCC(=O)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330171458 LXPMCSQNLULRMH-CFVMTHIKSA-N 272.379 4.988 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2332772663 AHZWYZLRAYHJMN-DDBAPUKQSA-N 263.469 4.783 30 10 CJEE Cc1ccc(C#N)c(OCC2CCCCCCC2)c1 2342894553 VWFYWJQOFYMWJM-UHFFFAOYSA-N 257.377 4.606 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C 2343215484 MJPIGLIBHIWDQM-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC(C)c1cccc(C(=O)C#CC2CCCCC2)c1 2343654326 FTDICYKTQOZVBL-UHFFFAOYSA-N 254.373 4.576 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)C1CC2(C1)CC(C)(C)C2 2344347178 ZNXOTKGGYCBELP-DOTOQJQBSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)cc1)NCCC 2344371651 LXFIMOOUWAILLA-INIZCTEOSA-N 279.855 4.853 30 10 CJEE N#C[C@@H](C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)c1cccs1 2354879640 REWCNPABHYRRGZ-BYNSBNAKSA-N 287.428 4.531 30 10 CJEE C=CCCCCCCCN(C)[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2358670695 ZEBGBAHTTRRRMQ-VPAKFMSCSA-N 275.480 4.879 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@H]1CC)OCCN 2360146056 NDNGBBLJXHRQGO-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc(C(C)(C)C)cc1 2360208598 QTWBJKOIYMJTFP-RHSMWYFYSA-N 291.504 4.942 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@@H](C)NCC)c(Cl)c1 2360220005 PXEDWBGXVMBMLP-CYBMUJFWSA-N 293.838 4.910 30 10 CJEE Cc1ccc(C(C)C)c(Oc2ccccc2C#N)c1 21814481 MFEHKMCHRPQQCS-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE COc1ccccc1-c1ccc([C@H](C#N)C(C)C)cc1 41381930 DIJSFEVYJKGCSB-QGZVFWFLSA-N 265.356 4.625 30 10 CJEE CCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 50039106 ADWCNZUGVGLSKM-MWLCHTKSSA-N 284.186 4.606 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1nc2ccccc2o1 52859928 CQKGDSLHEWJELS-UHFFFAOYSA-N 286.743 4.504 30 10 CJEE CCCCCCCCOCCC(=O)c1ccc(F)cc1 59517981 OQSKGDUECUHAOY-UHFFFAOYSA-N 280.383 4.776 30 10 CJEE N#Cc1ccc(-c2csc(-c3ccc(F)cc3F)n2)cc1 62938219 GCODUIDEYBUSLK-UHFFFAOYSA-N 298.317 4.627 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(C)ccc2/C(C)=N/O)C1 71150114 UCWDLBDQRUCLRL-KIHLJVTFSA-N 275.392 4.541 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1cccc(C)c1 73158357 TZGHHPOQIMXMIQ-SFHVURJKSA-N 276.420 4.738 30 10 CJEE O=C1C=C(c2ccc(Oc3ccccc3)cc2)CCC1 76367021 KLGJSWXYNGBKHK-UHFFFAOYSA-N 264.324 4.615 30 10 CJEE CCC1CCC(C#N)(CCOc2ccc(OC)cc2)CC1 88415884 RMSCWSJPSSQINK-UHFFFAOYSA-N 287.403 4.574 30 10 CJEE N#CC1([C@@H](O)c2c(Cl)cccc2Cl)CCCCC1 91880802 JTAWFPQFLHQMQA-ZDUSSCGKSA-N 284.186 4.501 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2cccs2)CC1 91881029 MVKSLPHKBYSFTE-UGWHAMFMSA-N 277.433 4.528 30 10 CJEE CCCc1c(-c2ccc(Cl)cc2F)sc(C#N)c1N 93074572 BVBNVJJWUXQCGV-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE Cc1ccc2nc(SC[C@H](CS)C(C)(C)C)[nH]c2c1 94589424 IMXBSQIZAOUHIA-NSHDSACASA-N 294.489 4.556 30 10 CJEE CCN(c1ccc(C)cc1)c1cccc(Cl)c1C#N 104018948 SMOLEFHSSKYNCL-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1F)NC 109729524 VCXHMXKZXNTQOL-INIZCTEOSA-N 265.416 4.707 30 10 CJEE CCCCCCCO[C@H](c1ccc(C)s1)[C@@H](N)CC 109987504 VSOQFGLIIRJGMN-HOCLYGCPSA-N 283.481 4.822 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(C#N)cc2Cl)cc1 110381867 VJJHIEFVDBYUPN-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE CC(C)CCC[C@H](C)Nc1cccc(Cl)c1C#N 110465275 CHIVXZRLYJUQBD-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE CCCCCCCCCCO[C@@]1(CN)CC[C@H](C)C1 114802097 NBPGKZBKIAIBKE-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@@H]1CCOC1 115761464 QSPHPMXRBKWVDX-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)cc(OC)cc1F 115859630 OWNANMBDUSUYTA-HNNXBMFYSA-N 286.362 4.757 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)CCc2ccccc21 116257760 LTUZXCQRRSBHFB-GOSISDBHSA-N 274.404 4.706 30 10 CJEE CCCCCCCCCCCCC1(CO)CCNCC1 116629111 AECSDQNMEDUKME-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE CCCCCCCC[C@H](O)[C@](C)(CC)N(CC)CC 118155310 YQRILMLCZQCKBP-IRXDYDNUSA-N 271.489 4.608 30 10 CJEE CSc1cccc(NC[C@@H]2CCCC[C@H]2C)c1C#N 127027401 QXQURADCYFLVLM-OLZOCXBDSA-N 274.433 4.518 30 10 CJEE C=CC[C@@H](NCCC)c1cc2cc(Cl)ccc2o1 128082282 NGYVRGGCXMJHHS-CYBMUJFWSA-N 263.768 4.703 30 10 CJEE CCCCCCCCCCN[C@H]1CCO[C@@H](C(C)C)C1 129292795 ACPPWPTXWLRGIH-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCN1CC[C@H](C)N[C@H](CC)CC1 129453749 BHMOVHYZBMBADI-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](NN)c1coc2ccccc12 130395293 OKLFFNPHHZQHHV-MRXNPFEDSA-N 274.408 4.688 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1ccccc1)c1cccs1 130523064 ONISQRVBBLFVTF-YOEHRIQHSA-N 271.429 4.782 30 10 CJEE CCCCCCCCCCOc1cccnc1F 133876188 KVBNPKWIXQKTEZ-UHFFFAOYSA-N 253.361 4.740 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1csnn1 135568341 RRVUEGPPGCBROZ-HNNXBMFYSA-N 284.469 4.883 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](OC)C1CCCCC1 158510381 BCKMUZAMQYINQH-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CC[C@@](C#N)(NC2CCCCCC2)c2ccccc21 163873083 UQJHMIWMHWRPQE-BEFAXECRSA-N 282.431 4.615 30 10 CJEE C=C(C)CC[C@@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164495699 LEAOARKMGZBXJQ-MFJUZZNBSA-N 262.437 4.700 30 10 CJEE CC#CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 169064674 WAHWPOFIMMXQTN-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@](C)(O)C#Cc1ccccc1 198568728 USAOGBKYAWNMFI-SFHVURJKSA-N 258.405 4.540 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccc(C(F)(F)F)cc1 212965963 UHCPUICGBXFHCX-CABCVRRESA-N 296.336 4.535 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCC[C@@H]2C(C)C)cc1 214712500 QIYOFALELXNYQE-SJORKVTESA-N 256.393 4.516 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C)c1ccc(Cl)s1 221023731 NKGNEDVFJJOVTI-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCCCCC[C@H](Cc1ccoc1)NCC 229214034 CHSPITRYLOFHON-QGZVFWFLSA-N 265.441 4.941 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCCc2cccnc21 229780454 GBURBVJLJMCWKD-MSOLQXFVSA-N 288.479 4.970 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCC12CCCCC2 230171877 APPSSUUOTDFKSL-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CC(C)C[C@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)C1 230794675 DPUBCYDZGLSNBQ-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE C=CCC[C@H](C)Nc1cc(C)c(Br)c(C)c1 232021140 LQICYENLJAZMMA-LBPRGKRZSA-N 282.225 4.833 30 10 CJEE CCCCCCCCOc1c(F)cccc1C(C)=O 232932961 AHEDVCGRNQNWIS-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCO[C@@H]1CC 232933479 TWKVXWGOWFVOQS-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCO[C@H]1C 232937069 FEPGRYHNXLLZFG-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCn1ccc2ccc(C(N)=S)cc21 232942181 ISTQIKPTWRATDJ-UHFFFAOYSA-N 288.460 4.636 30 10 CJEE CCCCCCCCNc1ccc(C#N)c(F)c1F 232943335 JBGIRUNOCKGLPE-UHFFFAOYSA-N 266.335 4.609 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(Cl)c1F 236538223 UTKOQDWTTACZQW-ZDUSSCGKSA-N 256.748 4.649 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCC[C@@H](C)C2)C1 251208615 WKOQXPNCVHYZII-HSFUPAIVSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 253046242 PSEWFKPZBPVMGH-FPSMNIFISA-N 283.500 4.775 30 10 CJEE CSc1cccc(N[C@]2(C)CCCC[C@@H]2C)c1C#N 308728691 PCRJDDDRMFCKEE-BLLLJJGKSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@H](C)NCCOCC1CCCC1 313246817 ANYXWPZFUTUQBO-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCNC[C@@H](O)C1CCC1 315988631 OSHASZDLDMIPGE-GOSISDBHSA-N 283.500 4.658 30 10 CJEE O=C[C@]1(CCC2CCCCC2)CCCc2ccccc21 317165811 FDNXARJUDKFGIB-LJQANCHMSA-N 270.416 4.820 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)Sc1ccc(Cl)cc1 319836596 LPRUZDMJMKGLTB-MFKMUULPSA-N 253.798 4.616 30 10 CJEE CCCCCCCCCCCCN[C@](C)(CN)C(C)C 380390557 YLABQTFBHFESFR-GOSISDBHSA-N 284.532 4.870 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@@H](CNCC(C)C)O1 382198741 LREDUJZKXLXCPR-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CCSc1ccc([C@@H](C)NCCC)c(Cl)c1 383044289 IFCNJOWJVRGSGK-LLVKDONJSA-N 269.841 4.679 30 10 CJEE CC(=NO)c1cc(F)ccc1OCCCCCC(C)C 383100038 FCTRICNSBSDWDL-UHFFFAOYSA-N 281.371 4.619 30 10 CJEE CCCN(Cc1ccccc1)[C@@H](CC#N)c1ccccc1 384397108 GWAZLIOYVHOTHX-IBGZPJMESA-N 278.399 4.554 30 10 CJEE SCCCCCCCCCN1CC[C@H]2CCC[C@@H]21 385931057 BTQIHDGOQJZXCC-CVEARBPZSA-N 269.498 4.521 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1Cc2ccccc2S1 387142650 IZMXDXZMVOFGKA-NVXWUHKLSA-N 289.488 4.531 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(n1)CCCC2 394229779 QQGCHHGVHFSHCK-QGZVFWFLSA-N 274.452 4.581 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1ccc(C(C)(C)C)s1 394965760 HBFNUSCMOGZCEP-ISTRZQFTSA-N 291.460 4.799 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)C(=O)C(C)(C)C 395333583 USTDXVWEFILPMN-CYBMUJFWSA-N 254.414 4.557 30 10 CJEE Cc1cc(Cl)c(NCCCCCC#N)cc1Cl 395356126 HIMGNJIOZNGITF-UHFFFAOYSA-N 271.191 4.798 30 10 CJEE N#C[C@@H](CSc1cc(F)ccc1F)C1CCCCC1 397142944 YSYCYRGWFPLNAG-LBPRGKRZSA-N 281.371 4.777 30 10 CJEE N#C[C@@H](CNc1cccc(Cl)c1Cl)C1CCCC1 397330033 CGKVZSAKPYBNEP-NSHDSACASA-N 283.202 4.735 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cc(Cl)cc(Cl)c1 397626676 KYKAMUUHKSGYIW-SECBINFHSA-N 271.191 4.591 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](O)C1(C#N)CCC(C)(C)CC1 401970710 ZFWALXNUZIBWFZ-OWCLPIDISA-N 277.452 4.674 30 10 CJEE C=CC(C)(C)CO[C@@H]1CCCCCCCCCC[C@@H]1O 402435782 LPDMGGMAZQXWPW-DLBZAZTESA-N 282.468 4.859 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCCCC[C@@H]1NCCC 403868986 SKIMDOYLCBOAIM-DLBZAZTESA-N 281.484 4.696 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]12CCC[C@H]1OCC2 687358428 WVWNQKHGFJGXSA-KSZLIROESA-N 282.468 4.837 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Cc2cncc(F)c2)C1 688316254 QBXTWKQNARZUQG-UHFFFAOYSA-N 274.383 4.509 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(C2CC2)cc1 690279556 VIXFTAUEBFBWLQ-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE CCCCCCCCCCNCCc1ccoc1 692695802 QLEWLLLEFQXQMY-UHFFFAOYSA-N 251.414 4.552 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)C3CCCCC3)C[C@@H](C1)C2 697294424 CMTWIYRCHKBTJV-SXVFUXMRSA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(NCC[C@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697316964 ZSXQTJZFIVNCIB-WOXAPSCJSA-N 273.464 4.537 30 10 CJEE CCCCCCCCCC[C@H](O)c1csc([C@H](C)N)n1 697441842 FDXXYXDAIZDVBL-ZFWWWQNUSA-N 298.496 4.727 30 10 CJEE C=CCCC(C)(C)CNc1ccc2ccccc2n1 703945215 RXSLDQVGVAUOHQ-UHFFFAOYSA-N 254.377 4.639 30 10 CJEE C=CC[C@@H](C=C)O[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 706111054 WQJSWWOVAQHTCZ-CMPLNLGQSA-N 299.197 4.712 30 10 CJEE C=C([C@H](NCCC)[C@@H](C)CC(C)(C)C)C(F)(F)F 708257659 ZBVVUFPWWIHNBN-CMPLNLGQSA-N 265.363 4.545 30 10 CJEE C=C(Cl)CC[C@@H](CNC(C)(C)C)c1ccccc1 710619767 IYRUCMABCZLTAJ-HNNXBMFYSA-N 265.828 4.691 30 10 CJEE CCCCCCC[C@@]1(C)C(=O)CCN1C1CCCCC1 711975946 NHDPOXBGGKTTKW-SFHVURJKSA-N 279.468 4.713 30 10 CJEE C=C[C@@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553917 QAGJNSBTEQFVKK-LLVKDONJSA-N 277.717 4.586 30 10 CJEE CCCCC[C@@H](C)/N=C1/NC2(CCCCCC2)CS1 713179367 DDSHNWAGMWCIJN-CQSZACIVSA-N 282.497 4.741 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)C 715796875 QISXKXQVSNCEFI-XSLAGTTESA-N 265.485 4.885 30 10 CJEE CCCCCCCCC[C@@]1(N)COC[C@@H]1CC(C)C 716263257 XTQSPDPSQNVQEW-DLBZAZTESA-N 269.473 4.517 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716431518 XIDDDSUINRUDPG-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(C)c(F)c2)CC1 724553377 HWKIJHYUJZLDTQ-AWEZNQCLSA-N 261.384 4.531 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)CCC[C@@H]2C)CC1 724606975 LPOXVYVEPMZINB-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cncc(Cl)c2)CC1 724619733 WOJSGGJMMCEIJR-MRXNPFEDSA-N 278.827 4.522 30 10 CJEE CSCc1ccc([C@@H](C#N)Nc2ccccc2C)cc1 724740500 YDULQHIRXLAMCB-QGZVFWFLSA-N 282.412 4.535 30 10 CJEE N#Cc1ccc2sc(C(F)(F)F)c(C(F)(F)F)c2c1 725324254 BHYKQSLZYPYNMX-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Clc1cccc(Cl)c1N=Cc1ccccc1 1088695563 DYWMEVRGRWUECP-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C=CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)c1ccccc1 1124819843 UDWKEDFAHZVDAW-HUUCEWRRSA-N 273.420 4.524 30 10 CJEE C=CCCCCCCNc1cc(C)cc(F)c1C#N 1163260306 JLLPYSHKKDGDRD-UHFFFAOYSA-N 260.356 4.554 30 10 CJEE C=C(C)CN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 1169614056 TUOLGAPOURUQFW-OAHLLOKOSA-N 283.337 4.809 30 10 CJEE C=C(CNC/C=C\c1c(C)cc(C)cc1C)c1ccccc1 1177688356 VPDMDTMQKURSDE-FLIBITNWSA-N 291.438 4.928 30 10 CJEE CCCCCCCCN1CCc2ccc(C)cc2C1 1195910310 DQLDTMOLWMDMIT-UHFFFAOYSA-N 259.437 4.714 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2cc3ccccc3s2)C1 1202560807 MLUCDQUWXXHPPG-GOEBONIOSA-N 285.456 4.778 30 10 CJEE C=CCCCCCCCCCOC1CCC(=O)CC1 1224910092 GVOIMHUUQPWTKS-UHFFFAOYSA-N 266.425 4.822 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@H](CC)CCCC)c1 1264935001 DJDVNEXCDQRQCD-HNNXBMFYSA-N 289.419 4.796 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](CC)CC1CCCC1 1287603640 PHSKYUOOOVUZQM-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=CCCC1(CNC[C@@H](C)C(C)(C)C)CCCC1 1308856716 ATEFJNHLDUMJSJ-OAHLLOKOSA-N 251.458 4.785 30 10 CJEE C=CCCC1(CN[C@@H](C)Cc2cccc(F)c2)CCCC1 1308858903 XENBZHHWIOTKLY-INIZCTEOSA-N 289.438 4.873 30 10 CJEE C=CCN(C(=O)C[C@H](C)CCC=C(C)C)c1ccccc1 1349734198 NJOBPUVRBMYRLB-QGZVFWFLSA-N 285.431 4.978 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CCCC)cc2)CCC1 1353218369 NBMBNIKPXKADMM-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCOc1cccc(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c1 1356051348 IPVRIQGOJNCCKE-KBPBESRZSA-N 289.419 4.508 30 10 CJEE CCCCCCCCCCNC(=O)[C@H]1CCC1(C)C 1435485886 WXLCKEFXKMLTOC-OAHLLOKOSA-N 267.457 4.680 30 10 CJEE C=C1CCC(CNC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 1439157488 URZYXFGJVPYDNT-QFBILLFUSA-N 299.458 4.679 30 10 CJEE C=CC1(CC(=O)Nc2c(F)cc(F)cc2F)CCCCC1 1457212732 AZIPYVMOFHNOGZ-UHFFFAOYSA-N 297.320 4.569 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)Cc1coc2ccccc12 1462493918 XVAJSQMHSBOXPZ-HNNXBMFYSA-N 285.431 4.946 30 10 CJEE C=CC(C)(C)CCCNc1nc(C(F)(F)F)cs1 1472870496 UOJJDSOTOGZPJK-UHFFFAOYSA-N 278.343 4.566 30 10 CJEE C=CCC1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCC1 1474521711 OTJROONKCXFHSF-KRWDZBQOSA-N 289.850 4.533 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C)CC2)CCCCC1 1516778737 GBURQMQZNPYPCA-HZPDHXFCSA-N 277.452 4.598 30 10 CJEE C=C[C@H](CC(=O)Oc1cccc(C)c1C)c1ccccc1 1530846246 HHCPZOIIDOGPNE-MRXNPFEDSA-N 280.367 4.569 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 1534845663 VWPLPGCCACWNQD-IKGGRYGDSA-N 299.458 4.837 30 10 CJEE C=CCN(C(=O)/C=C(/C)c1ccccc1Cl)C(C)(C)C 1539411579 IZDCXWAYVAFWEL-SEYXRHQNSA-N 291.822 4.556 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)Cc1cc(C)ccc1C 1559493125 PHYXGCUFPLZZCW-UHFFFAOYSA-N 295.426 4.500 30 10 CJEE C=C(C)c1cccc(NCc2ccccc2NCC)c1 1560611656 FRIBUEBHIQUGFC-UHFFFAOYSA-N 266.388 4.764 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCC(c2ccc(CC)cc2)CC1 1586622592 BKSACQSTHNROTF-FQEVSTJZSA-N 299.458 4.557 30 10 CJEE CCc1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 1614730821 IIPUHDWGWQNIPQ-UHFFFAOYSA-N 290.284 4.547 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2coc3ccccc23)c1 1616752257 PMNFZMBXURUQKQ-UHFFFAOYSA-N 291.350 4.647 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 1616752469 VNZXTGVACJDJAA-MSOLQXFVSA-N 283.415 4.875 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(C2CC2)c(C2CC2)c1 1620916324 NBBSENWULYQWHW-QGZVFWFLSA-N 269.432 4.886 30 10 CJEE C=CCCC[C@H](NC(=O)N(CC)CCC)c1ccccc1 1638030414 VJAFCLVFBHALKO-KRWDZBQOSA-N 288.435 4.526 30 10 CJEE C=CC[C@@H](C)N[C@H](CC)c1cccc2ccccc12 1648348829 LMZCGCMCEYWCLX-RDTXWAMCSA-N 253.389 4.845 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1C[C@H](C)CC(C)(C)C1 1649735482 ZGVZZYLFMDMVPC-DOTOQJQBSA-N 287.447 4.556 30 10 CJEE C=CC(C)(C)CCCNCc1cc(F)cc(Cl)c1 1651515640 WPPJAIYTTXELMT-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE C=CCCC[C@H](NCC1CCSCC1)c1ccccc1 1653028119 CYQCIFAYHGVRRR-SFHVURJKSA-N 289.488 4.817 30 10 CJEE C=CCCCCN1CCC(Cc2cc(F)cc(F)c2)CC1 1653615781 JVMQZZLJGUMFAQ-UHFFFAOYSA-N 293.401 4.576 30 10 CJEE CCCCCCCCCN1CCC[C@@H](OC2CCC2)C1 1654062426 LBXYNFJIEMTAEO-GOSISDBHSA-N 281.484 4.771 30 10 CJEE C=CCN(CCCc1ccc(C(F)(F)F)cc1)C(C)(C)C 1654264601 RLMUXDFZZUPVKR-UHFFFAOYSA-N 299.380 4.925 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1snc(Cl)c1C#N 1654882132 BNRFDGIRFRUYBQ-UHFFFAOYSA-N 292.791 4.892 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccc(OC(F)F)cc1 1656402531 USFOWJSCURUHFB-ZDUSSCGKSA-N 283.362 4.637 30 10 CJEE C#Cc1ccc(CN[C@H](c2cccc(F)c2)C(C)(C)C)cc1 1656988355 VYYRIIVBTFFTFF-LJQANCHMSA-N 295.401 4.684 30 10 CJEE C=CCC1(NCc2ccc(OCC(C)C)cc2)CCCC1 1657676686 NPSFMYIAPJLXPA-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE C=CCCc1ccccc1NCc1ccc(SC)o1 1657845688 KPUGPDFTTGSUGN-UHFFFAOYSA-N 273.401 4.732 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)c(Cl)c1 1660117112 JTFZUPULKWOZLP-LSDHHAIUSA-N 273.807 4.702 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CCC[C@@H](SC)C2)c1 1660850387 RNMVTPQLTUZQBB-HZPDHXFCSA-N 261.434 4.806 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC)cc1 1665520460 TUYYICBPINKGPB-NVXWUHKLSA-N 286.419 4.505 30 10 CJEE C=C(C)c1cccc(N[C@H](c2nc[nH]n2)C2CCCCC2)c1 1665853699 QIELUFRUSGIDNP-KRWDZBQOSA-N 296.418 4.571 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 1673600764 SCFYLCYCGRPYDR-GRDNDAEWSA-N 286.419 4.666 30 10 CJEE N#CCc1ccc(Cl)nc1-c1cc(Cl)cc(Cl)c1 1848375658 LWZHOTZVZWTFMX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCC[C@H]1CC[C@H](C[C@@]2(C#N)COC(C)(C)C2)CC1 1878373156 XGMWLVHGCWHVPH-BFYDXBDKSA-N 263.425 4.692 30 10 CJEE CCC(C)(C)[C@H](C)N(C)c1cc(Cl)c(C#N)cc1F 1878525633 GEYWSKLIWKTHAS-JTQLQIEISA-N 282.790 4.612 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCSC1 1879876317 YJUOZKYJHYXJIY-YNEHKIRRSA-N 291.382 4.782 30 10 CJEE C=C(C)CN(CCC[C@@H]1CC1(F)F)Cc1ccccc1 1883447366 JZLFLLSDBTZWPO-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE CCCCCCCCCCCCN(CC)C1COC1 1884320194 PDRPFDGAUDNNNF-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE CCCCCCCCC[C@]1(F)CCNCCC1(F)F 1888062015 AZTHJJBUVYPPFA-AWEZNQCLSA-N 279.390 4.854 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@H]1CCC[C@H](C)CC1 1888688245 FIJBAMNKSBEIEH-WBAXXEDZSA-N 257.421 4.504 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C1CCC1 1892926936 NRHLSKAUBXSNOP-KBXCAEBGSA-N 257.421 4.815 30 10 CJEE CC#CCCCCC(=O)c1csc(C)c1Br 1902843295 AKOXRAWYKXANTR-UHFFFAOYSA-N 299.233 4.585 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cc(Cl)cc(Cl)c1Cl 1903204659 UVRMXGPPAXVQNW-KRTXAFLBSA-N 279.594 4.892 30 10 CJEE CCCCCCCCCCNCC[C@@H]1OCC[C@H]1C 1918120352 KQFFATLIUXXSMH-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cc(F)cc(Cl)c1 1918509057 BDTJLIZDMUDDAC-INIZCTEOSA-N 299.817 4.501 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(F)c(C)c1 1919504935 NQFCCFPAMRNDPX-INIZCTEOSA-N 251.389 4.669 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc2cnsc12 1919881431 MZLXUSAGCGCRNY-MRXNPFEDSA-N 277.433 4.864 30 10 CJEE CCCCCCC[C@](C)(O)Cc1cccc(Cl)c1 1919910716 RWIGRPUWLLAWGG-INIZCTEOSA-N 268.828 4.994 30 10 CJEE C=CCCC[C@H](NCCC)[C@](C)(O)CCCCCCC 1920915414 ANWGLTYRDHNJSH-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE N#C[C@@]1(CCCOC2CCCC2)CCCC12CCC2 1921616679 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4.802 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(F)cc1SC 2328514642 ZSXFBVYSDUOJOP-AWEZNQCLSA-N 267.413 4.684 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 2328716754 ZPACWIDAUYEZLP-OWCLPIDISA-N 266.425 4.511 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2334104585 RPMUVIMQOFDNQG-YQQAZPJKSA-N 266.425 4.511 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2341888668 LJNDUOPLMNIPEX-YPMHNXCESA-N 289.728 4.586 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc2cc(C)ccc2o1 2344467111 KJJQUDJPGIZHMZ-IAGOWNOFSA-N 258.361 4.767 30 10 CJEE CN(CC1(F)CCCCC1)C[C@@](C)(CS)C(C)(C)C 2352175068 WDRAKTVJXWTRFX-HNNXBMFYSA-N 289.504 4.573 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC2(CCCCC2)C1 2352320197 PYILIZHZWWGDPW-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE C=CCC[C@@H](C)C(=O)C1CCC(CC(F)(F)F)CC1 2353643515 SJANPPVVNSCPHO-PNESKVBLSA-N 276.342 4.917 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H](C)c1ccccc1Cl 2353836688 VBQJHQOFPNCQDG-KGLIPLIRSA-N 299.911 4.925 30 10 CJEE CCCCCCC[C@](C)(N[C@H](C)c1cccs1)C(=O)O 2353868103 QNRGURUSVZMCQT-CJNGLKHVSA-N 297.464 4.603 30 10 CJEE N#C[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCCc2ccccc21 2356016192 BTVNNSMJMMOOSX-QRQLOZEOSA-N 265.400 4.755 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)C[C@@H]1C[C@H]1CC 2360180167 TWEVEHAMDCMOGQ-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(C)(C)C[C@@](C#N)(NC(C)C)C1 2360333559 MEDBJZYAAIWOEN-UXLLHSPISA-N 294.508 4.523 30 10 CJEE CC[C@H](C)[C@@](C#N)(CCN(C)C)c1cccc2ccccc12 2039499 UVRPCMHJVMFIDJ-JXFKEZNVSA-N 294.442 4.599 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccccc2C(F)(F)F)c1 37936812 IEXNLAGLGVAHEA-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc2ccccc2c1 54825157 GJRTWBBGWZIJSZ-SJLPKXTDSA-N 264.372 4.724 30 10 CJEE C[C@@](C#N)(CCCCOc1ccccc1)c1ccccc1 57687466 MVGVRZGROGJZEN-IBGZPJMESA-N 279.383 4.717 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(F)c(Cl)c1 59207906 XGFJGYNRTKKHJO-UHFFFAOYSA-N 298.785 4.982 30 10 CJEE C=CCOc1ccc2ccccc2c1CNC1CCCCC1 66115841 PTSAXOZMRJGLNY-UHFFFAOYSA-N 295.426 4.827 30 10 CJEE Cc1sc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1C#N 77095482 DYRKCRHFIWJCKQ-UHFFFAOYSA-N 286.356 4.627 30 10 CJEE CC1(C)CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 79973904 LTVOTAQKMCYFRN-CYBMUJFWSA-N 262.784 4.592 30 10 CJEE CCOc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 83194188 ZSMZKGIPZNVBMT-DHZHZOJOSA-N 294.394 4.907 30 10 CJEE CCN[C@@H](C)c1cccc(SCc2cccc(C#N)c2)c1 84125253 KRGIWRPPKRRWEW-AWEZNQCLSA-N 296.439 4.521 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C 85017787 ANQUXIXPOSQRKT-NTZNESFSSA-N 297.320 4.781 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCC[C@H](CC)CC2)CC1 91903333 MNWLBCFIYXVTDZ-BFWZDYSYSA-N 277.452 4.818 30 10 CJEE CCCC(CS)(CCC)COCCC(C)(C)C 94586003 FPXJSIMZHKFMRP-UHFFFAOYSA-N 260.487 4.956 30 10 CJEE CCCCCCCC(=O)/C=C\c1ccc(OC)cc1 100286447 CQABVHABRJTBIS-XFXZXTDPSA-N 260.377 4.638 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1C)C(=O)O 103061194 YEIBSZDFCALZOP-MRXNPFEDSA-N 262.393 4.599 30 10 CJEE CCCCCCCCCNc1cc([N+](=O)[O-])ccc1OC 104425735 WVYBQVVFFFHRRN-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCCOC)C1 104430118 GGPQBKIOMJGIGB-RBSFLKMASA-N 283.481 4.501 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(Cl)c(C)cc1OC 107620094 RRVHIYSUYDAXRY-DGCLKSJQSA-N 264.796 4.810 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cccs1 112897170 FYTWUCSQYWOTFT-AWEZNQCLSA-N 253.455 4.759 30 10 CJEE CCCCCCCCCCCCNC[C@](C)(O)CC 114851362 DUJWHDGNBWPJNQ-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@H]1C(C)(C)C 115227333 KRVUTKYGTDRFJR-QGZVFWFLSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCc2ccccc2C1 116273207 UQAITEJGKWGXHO-RBUKOAKNSA-N 273.464 4.869 30 10 CJEE CCCCCCCCCn1ccc([C@H](C)NC)c1 118239425 DZFNSNSTNFJCGL-HNNXBMFYSA-N 250.430 4.519 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(C)cc(C)cc1C 122395656 RXEJDGQLKVMXRV-QGZVFWFLSA-N 276.468 4.867 30 10 CJEE CCCCCCCCC[C@H](NCC)C1=COCCC1 122774759 ZCYYKACPOJQVPP-KRWDZBQOSA-N 267.457 4.800 30 10 CJEE CCCCCCCCCCNCc1sccc1N 124795592 BBOSDOIWIZBEKX-UHFFFAOYSA-N 268.470 4.561 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(C)c(F)c1 127019682 PMKJKWSXCXYAAC-CQSZACIVSA-N 251.389 4.755 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@]1(C)CCCO1 129274164 QZPHFQOOUICECI-MSOLQXFVSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCCN1CCC[C@H](NC(C)C)C1 129473890 NSYXYNZAKKXAKN-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CC(C)(C)OC1(C)C 133251795 SWUTZSZOFFADSY-CVEARBPZSA-N 283.500 4.919 30 10 CJEE CCCCCCCOC[C@H](NCCC)C1CCCC1 157539365 HCLXJVTVVCCLKY-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CCOc2ccccc21 162158108 HQBAOZMPFSTDGV-CVEARBPZSA-N 276.420 4.664 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ncc(C)cn1 164875458 RFNJJZIUCWIAEH-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE C[C@H](NCc1ccc(C#N)s1)c1ccc2ccccc2c1 176941117 DPIGPBFILATSCY-ZDUSSCGKSA-N 292.407 4.624 30 10 CJEE Cc1nc(-c2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)cs1 185718262 YERCCGJWLCBUGP-DZGCQCFKSA-N 297.427 4.613 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)SC 189896044 GBXUWBSUYMHQPK-CYBMUJFWSA-N 291.460 4.619 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCC[C@@H]1C 226947455 KWKNBLIDHAWUOW-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 228817552 TYEYEBYZOJJKTP-QWRGUYRKSA-N 272.219 4.999 30 10 CJEE CCCCCCCC[C@H](N)c1cccc2cccnc12 228944416 FFLIIOPGRZOLRF-KRWDZBQOSA-N 270.420 4.985 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(OCCC)c1 229754038 YHXSSVFVTYWFMU-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 230988022 PQMSVFSWSDWYEP-GXTWGEPZSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)c(F)cc1F 232949739 YAKOLKVSGZHIPN-OAHLLOKOSA-N 273.342 4.725 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CC[C@@H](CC)C1 233541811 AWICVKWFJBUJAG-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(F)c(C(F)(F)F)c1 236315901 OKAIVQZZZGIJTP-CQSZACIVSA-N 289.316 4.981 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H](c1ccccc1)[C@H](C)CC 253025817 DBQOODKWJZFVEA-YZGWKJHDSA-N 285.475 4.988 30 10 CJEE ON=C1[C@H]2CC[C@@H](C2)[C@H]1n1c2ccccc2c2ccccc21 254303461 SQJXMXVAGRXOEW-WTOJCKNJSA-N 290.366 4.596 30 10 CJEE Oc1ccccc1C=Nc1ccc2[nH]c3c(c2c1)CCCC3 254624274 MZHBZAKNUILUIY-UHFFFAOYSA-N 290.366 4.503 30 10 CJEE N#CC[C@@H](c1ccccc1SC1CCC1)C1CC1 260866765 PWVHLVLMNNVTBW-CQSZACIVSA-N 257.402 4.738 30 10 CJEE Cc1sc2cc(C3(C#N)CCCC3)ccc2c1C 260890530 UZLROEILLURAAB-UHFFFAOYSA-N 255.386 4.854 30 10 CJEE CCCN[C@H](CCCC#CC(C)(C)C)C(C)(C)C 302239019 CKWNYFOQRILWDU-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@H]2C[C@H]21 302714502 YVBXVRPVBHKTAI-BBWFWOEESA-N 251.458 4.905 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCC(F)(F)C1 312128307 KBYAMMHFMYJCJM-GJZGRUSLSA-N 285.422 4.620 30 10 CJEE CCCC1CCC(C=O)(CCc2cccs2)CC1 316899073 CCLGEWIILDPORP-UHFFFAOYSA-N 264.434 4.856 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C=O)CCc2ccccc2C1 317038925 VXWNIHUSJMRMHK-APWZRJJASA-N 272.432 4.967 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CC1 317100994 FIGZJULOHTYISG-WHRQZHCMSA-N 278.436 4.510 30 10 CJEE CC1CCC(C=O)(Cc2ccc(C(C)C)cc2)CC1 317357576 ZLNIYFSFHPOAMS-UHFFFAOYSA-N 258.405 4.748 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2C[C@@H]2c2ccccc2)CC1 317641673 YLRZWPLQLWZTQL-BEVRRMAYSA-N 270.416 4.822 30 10 CJEE CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCC1 325027854 KXBBQIGWWIPEJQ-CQSZACIVSA-N 282.309 4.568 30 10 CJEE C#C[C@H](Nc1ccccc1SC(F)F)c1ccccc1 378671795 MGDWZXPTIYPFHT-ZDUSSCGKSA-N 289.350 4.788 30 10 CJEE C=C(CC)CNc1cc(Cl)ccc1OC(F)(F)F 385502512 KUBWCNXQXAUJHI-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE N#CCc1sccc1-c1cccc(Cl)c1Cl 385526594 JEZYQXRMFBVFOE-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE C=C(C)CCN[C@@H](C)c1sc2ccccc2c1C 386743977 FACWWRFYEJELSH-ZDUSSCGKSA-N 259.418 4.827 30 10 CJEE C=CC[C@H](CC)N[C@@H](CC)c1ccc(Br)cc1 393817598 ZDOVBGNUWUHHJI-GJZGRUSLSA-N 296.252 4.845 30 10 CJEE Cc1cc(Cl)ccc1NC[C@H](C#N)C1CCCCC1 397097225 BOLJSLDKBZTRPX-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE CC[C@H](OCC1(CS)CCCC1)c1ccccc1 403301478 BNWPHIMYGQJLMR-HNNXBMFYSA-N 264.434 4.645 30 10 CJEE CC(C)(C#N)CCCCSCCc1ccc(F)c(F)c1 435883864 CBIAELRUTNGRJW-UHFFFAOYSA-N 297.414 4.961 30 10 CJEE C=C(C)C[C@H](C)c1nc([C@H](C)c2ccccc2C)no1 577323517 GIPTVHIWZZGGRP-UONOGXRCSA-N 270.376 4.600 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(C(F)F)nc1 631684167 PGKJWPRYCRPQCC-GFCCVEGCSA-N 282.378 4.662 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(COC)cs1 686688522 NMOVBDUYCGPOFX-MRXNPFEDSA-N 293.476 4.519 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(F)ccc1Cl 686690857 KFGLCVIHRYMDPD-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCCC12CC2 686691739 QWYHDHSTLXBBCO-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@H](N)CCCOC(C)C 689548327 WLCXOWTVZDIJGS-INIZCTEOSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H]2C[C@@H]21 691686259 WSBGZVIIPZOCPQ-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCCCN(C[C@@H](C)N)C(C)C 692162481 UKNHRHHKCNVKGY-GOSISDBHSA-N 284.532 4.965 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1csc(C(C)C)n1 695382218 QTJPSCFRVPVBGT-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)C(C#N)(C(C)C)C(C)C 698453310 UGHLNDSOUFPUAG-AWEZNQCLSA-N 296.455 4.596 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(CCCC)cc1)C(C)(C)C 702247537 SGGJIMVFRMRERZ-MAUKXSAKSA-N 271.448 4.728 30 10 CJEE C#C[C@H](NCc1ccc(-c2ccccc2)s1)C(C)(C)C 702258767 QYSVFFCIZLQEGL-KRWDZBQOSA-N 283.440 4.553 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C#N)cc1Cl 703983259 WTBWUOHUKYRQLH-UHFFFAOYSA-N 262.784 4.616 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC2(c3ccccc3)CC2)C1 704037338 IPDBSKVMFQNKOA-RDJZCZTQSA-N 256.389 4.504 30 10 CJEE C[C@@H]1C[C@H](/N=C2/N[C@H](C(C)(C)C)CCS2)CC(C)(C)C1 708275105 CIURDQAHYXBMIC-RDBSUJKOSA-N 296.524 4.698 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC(C2CCCCC2)CC1 708823070 QLWOXFWPIGRNEZ-KRWDZBQOSA-N 297.552 4.871 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CC(C)(C)OC1(C)C 709678335 JXEIITQAYTWYQS-LSDHHAIUSA-N 270.457 4.692 30 10 CJEE CC1CCC(/N=C2/NC3(CCCCCCC3)CS2)CC1 713201145 AQPXMNUVMFPYCN-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CC(C)C1CCC(C#N)(CCCOC(F)(F)F)CC1 713396442 OFKWCQOAWNBIHP-UHFFFAOYSA-N 277.330 4.659 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C(C)(C)c1ccccc1 715703656 HLZDMVSRQCVSIV-RDJZCZTQSA-N 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CCCCCCCCC[C@@H](C)NC[C@H](C)CCCO 2278245344 VOFPZIZNPBLYNO-IAGOWNOFSA-N 271.489 4.514 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc2ncsc2c1 2278462435 UZOXHEKJZIMXJS-DOMZBBRYSA-N 274.433 4.549 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)CC[C@@H]1CCCCC12CC2 2279754471 KRHIVVYLTXAIHW-HOTGVXAUSA-N 276.468 4.607 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CC(F)(F)C23CCC3)C1 2280813973 QWNSTEOWTULDNE-ILXRZTDVSA-N 284.390 4.988 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC[C@@H]2CCCC23CC3)C1=O 2281330368 FAUFBOVNXSNIAD-KSSFIOAISA-N 273.420 4.636 30 10 CJEE CCCCCCCC[C@](C)(N)C#Cc1ccccc1F 2281381358 QBCLAPUKBPZIPE-SFHVURJKSA-N 275.411 4.645 30 10 CJEE N#Cc1cc(CSC[C@@H]2CCCCC2(F)F)ccc1F 2283108532 WNWZPPCPWLYXJU-ZDUSSCGKSA-N 299.361 4.756 30 10 CJEE CC(C)(C)C#CC=CCNCC[C@@H]1CCCCC12CC2 2284185097 MJXAMQXXDVTQHZ-KRWDZBQOSA-N 273.464 4.542 30 10 CJEE CC1(C)[C@H]2CC[C@@H](CNc3ccc(Cl)cc3C#N)[C@@H]1C2 2286006242 UOCZUMAJQGIAOR-WHOFXGATSA-N 288.822 4.696 30 10 CJEE N#CCc1ccc(CSCC2CC(C(F)(F)F)C2)cc1 2287329106 UGFNBLXCQOPBFT-UHFFFAOYSA-N 299.361 4.574 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc2cnccc12 2287466254 OVIKZGNBHTUVOR-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=CCCCCCCCCCNCCCCCN(C)C 2288612246 MVQJBVHTGFLMIE-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2289844370 GITGFRRSJCQIKP-RCCFBDPRSA-N 272.432 4.746 30 10 CJEE CCCNC[C@]1(CC#CC2CCCC2)CCC12CCC2 2289900422 CWSCIZUWJRQQEN-IBGZPJMESA-N 273.464 4.520 30 10 CJEE C=C(F)C[C@H](Cc1cccc(C(C)(C)C)c1)NCCC 2290195141 QXSOODBLKDPZLV-QGZVFWFLSA-N 277.427 4.768 30 10 CJEE CCCCCCCC[C@@H](C)NCc1nc(C(C)C)ns1 2290604637 PNYNMFISXQEHJB-CQSZACIVSA-N 297.512 4.890 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)C1CC=CC1 2291947717 NUWUORFWYDRWQT-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(C)c(C)c1 2292876174 PIZMYPMZUWAUGG-SFHVURJKSA-N 277.452 4.680 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCC[C@H](CC)CC1 2293142290 PLGKAIJMEDBPME-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC[C@@H]2C[C@@H]21 2293456056 XSYTXDGYVBWXQV-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H]1CCCC[C@@H]1C 2293599535 JHWJVLPBLRHRBS-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(Cl)cc1C 2293909624 LNAMKNYILUUKFP-SUMWQHHRSA-N 295.854 4.657 30 10 CJEE CCCCCC#CC[C@@](CC)(CCC(C)C)OCCN 2294029027 DLCCWDHPMSVHBA-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(OCF)cc1 2295937697 CSMYEWUTMKDBDK-KRWDZBQOSA-N 282.399 4.951 30 10 CJEE C=CCC(CC=C)SCc1ccc(Cl)c(N)c1 2298901037 KONQPUGJLWNPPR-UHFFFAOYSA-N 267.825 4.676 30 10 CJEE C=CC[C@@H](C)S[C@@H](C)C(=O)c1cccc(Cl)c1 2298937906 BPMKIPGSJRSWPD-MNOVXSKESA-N 268.809 4.609 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)s1 2300175557 DTOWEPLUOFPWIS-QJPTWQEYSA-N 269.841 4.797 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301196268 XRMKEGAQLCZYAA-XPTSAGLGSA-N 272.219 4.775 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)cc1 2304056948 UZQZTFAKBPEPID-GJZGRUSLSA-N 251.801 4.593 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)cc1 2304056950 UZQZTFAKBPEPID-LSDHHAIUSA-N 251.801 4.593 30 10 CJEE C=C(C)C[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2304904954 LKGIXWUYZNXHDW-CYBMUJFWSA-N 296.252 4.649 30 10 CJEE C=C[C@@H](C)CN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2307613661 OGTGYLDNZGAJMW-KOLCDFICSA-N 272.219 4.775 30 10 CJEE Cc1ccc(Cl)cc1OC[C@@H](CS)CC(C)C 2308052951 GLUJGHMJIINULG-LBPRGKRZSA-N 272.841 4.619 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1scnc1Cl 2316703021 FMPUVHRSHJZIDU-GFCCVEGCSA-N 284.856 4.606 30 10 CJEE CCCCCCCCCNC1C[C@@H](C)S[C@H](C)C1 2317759450 XUASCOIWJRRWHM-HUUCEWRRSA-N 271.514 4.999 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCC1CC1)NCC 2321132118 WTQPQKUFXJOVGZ-SJORKVTESA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@@H](OCC2(CS)CC(C)(C)C2)[C@@H]1C 2321722748 KVLZKGFZZMJCPB-MGPQQGTHSA-N 270.482 4.564 30 10 CJEE C=C[C@H](C1CC1)N(C)Cc1cc(F)c(Cl)cc1Cl 2325192084 CLQLADCXKIXFSQ-CQSZACIVSA-N 288.193 4.529 30 10 CJEE CC(=NOCc1ccc(F)cc1)c1ccc(C(C)C)cc1 2330453885 BEEGGHPFGWMVSM-UHFFFAOYSA-N 285.362 4.890 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333961134 XZPRNTZLSAXTKF-PXOUGSPUSA-N 263.469 4.760 30 10 CJEE C=CCC(CC=C)SCC[C@@H]1CCCC[C@H]1NCC 2335203744 OFECPLCLBZNXTN-DOTOQJQBSA-N 281.509 4.799 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2337113747 JWJWQEJEAQPNFE-XLKGFZLASA-N 261.453 4.536 30 10 CJEE CC(=CC[C@]1(C=O)CCCOCC1)CCCC(C)C 2338469665 KNCLBEYSYMPLIR-QGZVFWFLSA-N 266.425 4.535 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC(C)(C)[C@H]1NCCC 2338665810 KXMATRCBQNYSFY-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)N1CC(C)(C)Cc2ccccc21 2338731082 XHUFAIRXKISAJZ-UHFFFAOYSA-N 255.405 4.596 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC)CCCC(C)(C)CC1 2338743738 IMNSXGNADFSMDH-SFHVURJKSA-N 263.469 4.951 30 10 CJEE N#Cc1ccc(COCc2cccc(Cl)c2Cl)cc1 2339350427 HTYPYCWFHOBKNX-UHFFFAOYSA-N 292.165 4.582 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(C)cc1SC 2342384439 VKFAMUMRQPRBPT-INIZCTEOSA-N 275.461 4.561 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@H](C)C(F)(F)F)NCC 2344348118 HTUWAMPKKMNVRA-MJBXVCDLSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(NCC[C@@H]1CCC(C)(C)C1)C(F)(F)F 2344777376 LROAPGFFYHECAE-GXTWGEPZSA-N 277.374 4.690 30 10 CJEE C[C@H](CCC(F)(F)F)N(C)C[C@](C)(CS)C(C)(C)C 2352067465 FNDZHYQAAILHOZ-DGCLKSJQSA-N 299.446 4.631 30 10 CJEE CN(Cc1cccc(Cl)c1)C[C@@](C)(CS)C(C)(C)C 2352067950 IICDTNRXZCUNJI-INIZCTEOSA-N 299.911 4.754 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2353897294 GHPVGGBGDMXKIF-RCMKLKEOSA-N 278.436 4.510 30 10 CJEE N#C[C@@]1(C[C@@]23CCC[C@@H]2CC3)CCc2ccccc2C1 2359803546 HBXHIDYGOCOOTE-QYZOEREBSA-N 265.400 4.656 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC 2360208408 OFDVXPUWBYALRU-LEUOFYLZSA-N 289.488 4.609 30 10 CJEE C=CCC(CC=C)S[C@@H](C)C(=O)c1ccc(OC)cc1 2360376138 DLENSGVQHPWWRS-ZDUSSCGKSA-N 290.428 4.520 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccc(F)c(C#N)c1 2360476425 MFLFYQSVXLPXAN-UHFFFAOYSA-N 277.383 4.675 30 10 CJEE Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H](C)C#N)cc1 31921548 OFIOKTFFEPTHMF-GFCCVEGCSA-N 295.773 4.590 30 10 CJEE C=C(C)Cn1c(-c2ccccc2Cl)nc2c(N)cccc21 36285187 NSPPPOMCVDLOLJ-UHFFFAOYSA-N 297.789 4.515 30 10 CJEE Cc1cc(C)c(CNc2cc(Cl)ccc2C#N)cc1C 37277892 RJOPVQAKASLICO-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE COc1ccc(Cl)cc1C[C@H](C#N)c1ccccc1C 57762676 WFMPJTMANHQHDZ-CQSZACIVSA-N 285.774 4.507 30 10 CJEE CCCCCCC[C@@H](CN)N(CCCC)CCCC 59090944 DPRSZQIRTPQGDD-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE N#Cc1cc(NC2CCCCCCC2)nc2ccccc12 69052346 ILRHDIPBQLQOPM-UHFFFAOYSA-N 279.387 4.631 30 10 CJEE CC1(C)Cc2cccc(Oc3cccc(Cl)c3C#N)c2O1 70139510 JHKDYCYJAIHGPA-UHFFFAOYSA-N 299.757 4.717 30 10 CJEE Cc1ccc(Cn2c(Cl)c(C#N)c3cccc(F)c32)cc1 71465984 UZGOYXPAURQQMR-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CCCC[C@]1(C)CN(C[C@@H](C)C#N)c2cc(C)c(C)cc2N1 76932911 CJQYLEFPAKHUDW-IFXJQAMLSA-N 299.462 4.644 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCC[C@H](C2CC2)C1 81642588 CFGVWBSMUCSMSY-BBRMVZONSA-N 274.795 4.614 30 10 CJEE SCCCCCCSc1cccc(Cl)c1 87097839 UYGYIFHPZNWDQL-UHFFFAOYSA-N 260.855 4.922 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@](C)(O)c2cccs2)CC1 91878997 WAJNJEXDAKMNLA-PWZRNIHTSA-N 291.460 4.702 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)C[C@H](C)CC[C@@H]2C)CC1 91887515 UKKPVVYROSWEGH-VGAKTEPXSA-N 277.452 4.530 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CSc3ccccc32)CC1 92297218 SGNREVJXPULXFS-XOYHFGRZSA-N 271.429 4.986 30 10 CJEE CCC[C@H](CS)COc1ccccc1C(C)C 94583164 PIPPOQJBKXUUJS-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE CN(c1ccc(C#N)cc1Cl)C1CCC(C)(C)CC1 94858962 IKLNJRWMESALFM-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(C)c(Br)c1 107497136 OVZVMONDAQVIFG-ZYHUDNBSSA-N 265.194 4.520 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1ccccc1C 110067798 WMTAEHYKKGKUOW-IBGZPJMESA-N 289.463 4.775 30 10 CJEE CCCCCCCCOCc1cc(C)c(CNCC)o1 110171307 VLONFOYKDRSPRG-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE Cc1cccc(Nc2ccc(C#N)cc2Cl)c1C 110253281 ZZJFAYKDFXYGJG-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1ccc(Nc2ccc(F)cc2C#N)cc1C(F)(F)F 111036516 PPJNGRDZFKGBRC-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NCC12CCCC2 115233879 WDVLZPKXSGSBLE-KRWDZBQOSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@@H](CCCOC)NCCC 115747082 YNPFBXNMSPTYDN-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCCC)C1(CC)CC 117339976 SJPADXWZODDXMV-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1ccncc1 117692650 UMSHKOQMKJIPEN-SFHVURJKSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1ccccc1C 118646775 YHELYNMMQQRWPC-MRXNPFEDSA-N 262.393 4.914 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1nccn1CC 122164578 ZGYJDVOOEIKUGW-MRXNPFEDSA-N 280.456 4.857 30 10 CJEE CCCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1C(=O)O 126120766 YBCUNVQEUZSLAC-KKUMJFAQSA-N 254.414 4.874 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@H](C)C2)c1C#N 126995823 IVKFLSTVSGCAPD-QWHCGFSZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCOc1cnccc1CNCC(C)C 134998041 ZPYRIVWHHKEWRF-UHFFFAOYSA-N 292.467 4.567 30 10 CJEE CCCCCCCC[C@@H](CCC[C@@H]1CCCO1)NC 169273482 ZVUQZPKFIWKPDG-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCO[C@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C 219568518 WTJHSWRHVAPXDM-ZJPYXAASSA-N 283.500 4.776 30 10 CJEE Cc1cc([C@H](C)Nc2c(C)cccc2C#N)c(C)s1 221027355 SQOXOOVRBUAFFF-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 227526643 TXCANJMSSVSDTD-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)cc(Br)c1 229753229 REDZGTMDDQDKKG-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCC(=O)CCOCC(F)(F)F 232078739 YOVHKQXTVQHPQO-UHFFFAOYSA-N 282.346 4.665 30 10 CJEE CCCCCCCCC[C@@H](CN)Nc1ccccc1F 232971154 PMEWAJSPSQSWDP-HNNXBMFYSA-N 280.431 4.706 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(SCC)cc1 233122252 GSMIHKYADKTOGI-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE C[C@H](Nc1ccc(C#N)c2ccccc12)c1cccs1 235564382 ZRIYWUWGXPQOQW-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE C=CCCCCCC(=O)c1ccc(C)c(Cl)c1 235785255 HNZVLTMDGYHOKY-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)C[C@H]2CC[C@H]1O2 250808570 GQBRDNIHHQWBRJ-INMHGKMJSA-N 282.424 4.540 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2Cc3cc(C)ccc3O2)C1 251466054 BBFCAHOQVGUREJ-SZVBFZGTSA-N 283.415 4.799 30 10 CJEE O=[N+]([O-])c1ccc(-c2ccc(N=Cc3ccco3)cc2)cc1 254317903 FANMDPNTOKXORM-UHFFFAOYSA-N 292.294 4.605 30 10 CJEE C[C@H](C#N)Cc1ccc(OCc2ccccc2)c(Cl)c1 260196447 HKGXIGICJBBUPX-ZDUSSCGKSA-N 285.774 4.621 30 10 CJEE Cc1ccc2c(c1)cc(CC(C)(C)C#N)n2C(C)C 260383718 PWPZDUTXHBOYTC-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CCCCCCCOCc1cccc2c1NCCC2 311658342 NMAMFGRXSZIWEH-UHFFFAOYSA-N 261.409 4.532 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cn[nH]c1 311879041 MUCWCYLDUYBGFW-MRXNPFEDSA-N 265.445 4.591 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCOC[C@@H]1C 312343436 DKLBKTWFOPOQMJ-KSZLIROESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1CCO 312399371 PUXXCCQZIQPMRW-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccsc2Cl)C1 312696671 NEAVFXGUOTVCKD-OSMZGAPFSA-N 283.824 4.545 30 10 CJEE CCC[C@@H](Nc1cc(C#N)cc(F)c1C)C1CCCC1 313418336 DSSUYAAMGMKMAD-MRXNPFEDSA-N 274.383 4.777 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1csc2ccccc12 317084106 AEFHBMFOUBPTFT-SUMWQHHRSA-N 272.413 4.839 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)s2)C1 317408658 CZIQUSVBCBGRAB-RISCZKNCSA-N 270.825 4.730 30 10 CJEE CCCCCCC[C@]1(CNCCOC)CCCC[C@H]1C 318910860 UGFBKENCJATWJS-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCSC)C1 320015044 VRHLXWZRPJRZJZ-MGPQQGTHSA-N 285.522 4.827 30 10 CJEE CC(=O)/C(C)=C\c1ccc(-c2nc3ccccc3s2)o1 383083753 IHFZINVHXXWVSH-KTKRTIGZSA-N 283.352 4.549 30 10 CJEE Clc1ccc(C#Cc2cccc(Br)c2)cc1 383440121 ZPFYDZUPFDBBOF-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1Cc2ccccc2S1 384912291 YQYZJDZFWBKKAY-KMFMINBZSA-N 271.429 4.814 30 10 CJEE C=CCCCCCCN[C@H]1CCc2c(F)cccc21 389208101 STYAYKRHNRVUIU-KRWDZBQOSA-N 261.384 4.539 30 10 CJEE CCCCCCCCO[C@H](CNC1CC1)C(C)(C)C 395603238 YRZNJUJCZMBZLI-MRXNPFEDSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCCOc2c(C)cccc21 398063357 IHTZJCJIOQDVAQ-WBVHZDCISA-N 273.420 4.543 30 10 CJEE CC(C)(C#N)CNc1c(Cl)cc(Cl)cc1Cl 405145476 YMLXALGBAWYUTG-UHFFFAOYSA-N 277.582 4.608 30 10 CJEE Fc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 575339621 ITFGRCBTJJNACP-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCC[C@H](OC)C1 686364762 TUYTZYGQGLHEGB-CVEARBPZSA-N 268.441 4.901 30 10 CJEE C#CCCC[C@@H](NCC)C1CC(C)(C)CC(C)(C)C1 688318520 AVPPXSSSEUZIAZ-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CC[C@@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)O1 688341541 HNZAZBGNUINABE-KGLIPLIRSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CC12CCOCC2 690048101 HUXWANZQGJNJJN-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE CCCCCCCO[C@@H](CNC(C)(C)C)CC(C)C 695111081 JYSFHMKBWUSNNC-MRXNPFEDSA-N 271.489 4.776 30 10 CJEE CC(C)C(C)(C)Nc1ccc(C#N)c2ccccc12 697996254 XPAFNCCTSFIIJH-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE C#C[C@@H](N[C@H](C)c1sc2ccccc2c1C)C(C)(C)C 702254725 DUKAQZBYVVJLGY-CZUORRHYSA-N 285.456 4.908 30 10 CJEE CCCCCCCCC[C@](N)(COC)c1ccccc1 704414959 GFUBSFXURQZNON-SFHVURJKSA-N 277.452 4.628 30 10 CJEE CCOc1ccc([C@H](C#N)[C@H]2CCCC[C@@H]2C)cc1 704940796 MMIIPEOUTZGFHJ-JQFCIGGWSA-N 257.377 4.519 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708029151 QBRLFYDLXDXLRJ-SMDDNHRTSA-N 269.310 4.995 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1CCSC1 708794934 NWXCHULNOSKLLE-JKSUJKDBSA-N 271.514 4.988 30 10 CJEE Cc1cc(N(C)[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1C#N 709180870 AINKPQXFSQHPIY-SUMWQHHRSA-N 270.420 4.518 30 10 CJEE C[C@@H]1CC(CNc2cc(Cl)ccc2C#N)C[C@@H](C)C1 710067700 PKMLOWLGTIZTDE-RYUDHWBXSA-N 276.811 4.696 30 10 CJEE C=CCCSCCN[C@@H](CC)c1ccc(CC)cc1 710169872 HXPOYYLSUAUOJU-KRWDZBQOSA-N 277.477 4.599 30 10 CJEE C=CC[C@@H](C)C[C@@H](CNC(C)(C)C)c1ccccc1 715794969 LURRKLNBVDXQGX-WBVHZDCISA-N 259.437 4.761 30 10 CJEE C=CCCC[C@@H](NCC)c1cscc1C(F)(F)F 717211714 XFEBPMLVTAHPGJ-GFCCVEGCSA-N 277.355 4.774 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc(C#N)cc1Cl 717556494 URTHAPVZASCPNH-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCCC3(CC3)C2)cc1 723552810 DSXRKAUZVFDCOE-INIZCTEOSA-N 268.404 4.622 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(C)(C)SC)CC1 724550067 OEMXJBPOTKZUPV-OAHLLOKOSA-N 269.498 4.633 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2[C@H]3CCC[C@H]32)CC1 724606850 XGTCGNNMLPHXEB-XWTMOSNGSA-N 261.453 4.537 30 10 CJEE CSc1ccc(C(C)=NNc2cccc(F)c2F)cc1 743443506 HOCGZHLXXZPUGN-UHFFFAOYSA-N 292.354 4.523 30 10 CJEE Cc1cc(N[C@@H](C)c2cccc(C#N)c2)cc(C)c1C 1167710455 PNTNQRNGYSSFSQ-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C=CCC[C@@H](CCC)N[C@H](C)c1cn(C(C)(C)C)nc1C 1180593405 LYLCMVHMZFXDIY-GDBMZVCRSA-N 291.483 4.732 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 1183255835 FXIHAAFTFMSOGK-HOTGVXAUSA-N 289.463 4.769 30 10 CJEE C=CCCCCCCCNc1nc(C(C)C)ns1 1186633012 LZDJKWJCFXOYLJ-UHFFFAOYSA-N 267.442 4.600 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(Cl)c(N(C)C)c1 1207631841 UCKYSEZPRGMLEO-ZDUSSCGKSA-N 280.843 4.953 30 10 CJEE C=CCCCCCN1CCC[C@@H](c2ccccc2)C1 1307783326 JLUXNSXOGUSDFC-GOSISDBHSA-N 257.421 4.612 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1ccccc1O 1308901013 FQPIXIGEBVQIHX-LSDHHAIUSA-N 263.425 4.792 30 10 CJEE C=C1CN(C(=O)Nc2cccc([C@H]3CCCC(C)(C)C3)c2)C1 1311306725 LHZUSFDXJFMUKE-INIZCTEOSA-N 298.430 4.774 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC[C@H]1C)c1ccccc1 1349840301 INBZFRYASWGUJI-AEFFLSMTSA-N 285.431 4.528 30 10 CJEE C#Cc1cccc(NC(=O)/C=C/[C@]2(C)CC[C@@H](C)C2(C)C)c1 1353337425 MDIKEDLLEYJSQO-DOMZIUCXSA-N 295.426 4.625 30 10 CJEE C=C(C)CCC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 1436092063 GZEYJPRGJUSIDQ-SFHVURJKSA-N 291.394 4.521 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCC(C)=C(C)C2)c1 1439928736 ADDPKUKPSPCVHF-INIZCTEOSA-N 269.388 4.795 30 10 CJEE C=CCCCCN(CCC)[C@@H]1C[C@H](OCC)C12CCCC2 1459532317 MKJTWHMASLGRFC-MSOLQXFVSA-N 293.495 4.793 30 10 CJEE C=CCCCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 1460069388 GLSALSKQSGYDTE-CQSZACIVSA-N 299.380 4.925 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCC=CCCC2)CCCC1 1461532747 OLSHHBNNEPFRFI-KRWDZBQOSA-N 289.463 4.766 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(c3ccc(C)cc3C)CC2)C1 1461538798 BNOIOBUDWJPNNU-ZWKOTPCHSA-N 283.459 4.669 30 10 CJEE C=CCC1(NCc2ccc(C(F)(F)F)cc2C)CCCC1 1461648051 SYSWHQZIRZAWPI-UHFFFAOYSA-N 297.364 4.992 30 10 CJEE C#C[C@H]1CC[C@H](NCc2ccc(-c3cccs3)cc2)CC1 1474255473 MMGBUROTSXXPCD-RZDIXWSQSA-N 295.451 4.697 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1csc2ccccc12 1527316565 JMKLOGLDXMJGBE-INIZCTEOSA-N 274.385 4.547 30 10 CJEE C=CC1(CC(=O)N2C[C@H](CC)CC[C@H]2C)CCCCC1 1532797885 VWPGECYAHALTGG-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=CC[C@@H]1N(C(=O)CC2CCCCC2)CCCC1(C)C 1542580062 VITVMKGLBDYXFR-INIZCTEOSA-N 277.452 4.550 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(SCC)cc2)C1 1560570198 BEMMOVDEHVLJTK-HOCLYGCPSA-N 275.461 4.633 30 10 CJEE C=CCC[C@H](CC)NCc1ccccc1CC(C)C 1560942779 GPXKZWYMLHMIAQ-SFHVURJKSA-N 259.437 4.720 30 10 CJEE C=C(CC)CNC(=O)Nc1cccc(Oc2ccccc2)c1 1562270732 CUMLXIJTJKZNTF-UHFFFAOYSA-N 296.370 4.567 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCC(c2ccc(CC)cc2)CC1 1586622593 BKSACQSTHNROTF-HXUWFJFHSA-N 299.458 4.557 30 10 CJEE CCC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 1617389258 BNNKMRLYEIUAKT-YOEHRIQHSA-N 290.838 4.660 30 10 CJEE Cc1ccc(S[C@H](C#N)CCc2ccccc2)s1 1652045652 ABQXVIHAHRLJSI-AWEZNQCLSA-N 273.426 4.674 30 10 CJEE C=CCCCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1652554794 KENDMMQPQRTGMV-RBUKOAKNSA-N 282.431 4.505 30 10 CJEE C=CCC1(NCc2ccc(C(F)(F)F)s2)CCCC1 1656635008 OGTOBRZJRHCZDH-UHFFFAOYSA-N 289.366 4.745 30 10 CJEE C#Cc1ccc(NC[C@@H](c2ccccc2)C(C)C)cc1 1657104643 XLRBUDYOBMQZNX-LJQANCHMSA-N 263.384 4.520 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CC[C@H](c2ccccc2)C1 1658853004 TZQQBKQPSOXRFK-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C#Cc1ccc(NCc2ccc(CCC)s2)c(Cl)c1 1663382497 KWJPJEUFFSRBJL-UHFFFAOYSA-N 289.831 4.947 30 10 CJEE C=CCCc1ccccc1NC1CCC2(CC1)CSC2 1664435396 MAECVGNMQMYZBA-UHFFFAOYSA-N 287.472 4.893 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1664483380 JGNLOWKRVWLZMM-WFASDCNBSA-N 285.353 4.581 30 10 CJEE C=CCC1(NC[C@@H]2CCc3ccccc32)CCCCC1 1664728437 HALKKKMJNMVLGN-KRWDZBQOSA-N 269.432 4.585 30 10 CJEE C=CCCCC[C@@H](C)NCC1(c2cccc(F)c2)CCC1 1665613650 SPJYDVILBLWJGI-MRXNPFEDSA-N 289.438 4.972 30 10 CJEE CCCCCCOc1ccc2c(c1)OC(=C(C)C)C2=O 1871399835 XAIUKVVTOCZYGR-UHFFFAOYSA-N 274.360 4.515 30 10 CJEE CC(C)C1(CNc2cc(Cl)c(F)cc2C#N)CCC1 1876767391 CKFFXWCAYPDREQ-UHFFFAOYSA-N 280.774 4.589 30 10 CJEE CCCC[C@H](CC)CN(CC#N)C1CCCCCC1 1883312884 JQRKMUJMKBOJTD-INIZCTEOSA-N 264.457 4.751 30 10 CJEE CCCCCCCCCN1CCn2cccc2[C@@H]1C 1883426261 ATBFSFISVZSJNO-INIZCTEOSA-N 262.441 4.615 30 10 CJEE CC#CCCCCN(Cc1ccccc1)CC(C)(C)C 1883443761 VQHWZNYUJMEYLB-UHFFFAOYSA-N 271.448 4.728 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@H]1CCCC(C)(C)C1 1885245290 RWKKTCKVJMPQJM-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@@H](NC)C1(CC(C)C)CCCC1 1885265944 VFJGRRRNOGEJGH-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C#CC[C@H](C[C@@](C)(O)c1ccc(Cl)c(Cl)c1)C1CC1 1887097751 GWHUHHKHJKNUOY-MLGOLLRUSA-N 297.225 4.641 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)C1CCC(C)(C)CC1 1887453619 SPLJHFSSIDGJLP-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@H](C)COC 1910065414 FIFKUBDSOOKUDB-DLBZAZTESA-N 272.473 4.941 30 10 CJEE C=C1CCC(C[C@@H](N)C2CC3(CCCCC3)C2)CC1 1912629343 USNKZQDMHFGYKF-QGZVFWFLSA-N 261.453 4.811 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CC2(CCCCC2)C1 1912710442 XMIGWYNFESPLOA-RDJZCZTQSA-N 261.453 4.824 30 10 CJEE CCCCCCC[C@H](N)c1cc(F)cc(Cl)c1 1918445426 YMYVIZPAJMJVNZ-AWEZNQCLSA-N 257.780 4.839 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)[C@@H]1CCC1(C)C 1921144160 PYCRTCUTHIAOJA-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE C=CC[C@@H](C)[C@@]1(CNC(C)(C)C)CCCC12CCC2 1921594958 KMIYFVUUDCZYKK-QAPCUYQASA-N 263.469 4.927 30 10 CJEE N#C[C@]1(Cc2ccccc2Cl)CCCC12CCC2 1921622471 WGBCJYMWSNVVRB-MRXNPFEDSA-N 259.780 4.747 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1)[Si](C)(C)C 1922989782 PXZFQVKMAXLZGK-YQFWSFKMSA-N 281.560 4.861 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](C)COC 1923978333 MOYKHYBVHDPRSA-SJORKVTESA-N 271.489 4.778 30 10 CJEE N#Cc1ccc(N(Cc2ccccc2)CC2CCCC2)cc1 1931890104 MVLSWUHIPHDSPQ-UHFFFAOYSA-N 290.410 4.755 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1ccccc1OCc1ccccc1 1958104059 DYVSBLLMTDOAEI-OXJNMPFZSA-N 296.410 4.901 30 10 CJEE CC(C)(C)C1CCC(CN[C@H]2CCCC[C@@H]2C#N)CC1 1962812333 NYGKABJBLVJTOD-MYBQVCMBSA-N 276.468 4.511 30 10 CJEE C=CCCCCCN1CCCC[C@H]1c1ccc(C)o1 1964148975 UZVLMMMYKFWSIO-INIZCTEOSA-N 261.409 4.861 30 10 CJEE CC1(C)C[C@@H]1CCOc1ccc(C#N)c2ccccc12 1970521235 WMRHXGXDIUAGCH-AWEZNQCLSA-N 265.356 4.526 30 10 CJEE C=CCC[C@H](C)Oc1cc(C)c(Br)c(C)c1 1975908292 FMMZENURTZAUNC-LBPRGKRZSA-N 283.209 4.799 30 10 CJEE C#CCCCC[C@@H](NC)c1cc(Cl)c(Cl)s1 1981782351 AFWDGKHKCKUBRO-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE CCCCCCCCOC[C@H](CS)CC1CC1 2003370701 KGJXKJMOYHCSMS-OAHLLOKOSA-N 258.471 4.710 30 10 CJEE C=CCC[C@@H](C)C[C@H](NC)c1ccccc1Br 2003670720 JOENFAAEFSKNIN-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE C=CC1(CC[C@@H](N)c2cccc(Br)c2)CCC1 2003683473 OQOPGLZMSTYNLV-CQSZACIVSA-N 294.236 4.585 30 10 CJEE N#CC1(Cc2ccsc2Cl)CCC2(CC1)CC2 2007693653 RMAOZYPSAOFFDD-UHFFFAOYSA-N 265.809 4.808 30 10 CJEE C=CCCCC[C@H](N)c1ccsc1C(F)(F)F 2009482488 RRLIGCSOGKHYPH-JTQLQIEISA-N 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C=CC[C@H](C)S[C@](CC)(CC1CCCCC1)C(=O)O 2352222767 NWOZZKRUMIICQV-XJKSGUPXSA-N 284.465 4.888 30 10 CJEE C=CCC[C@@H](NCC)C1CCC(CC(F)(F)F)CC1 2353640598 LIZFUNDSZDPXJJ-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE C#CCCCCC(=O)C1CCC(CC(F)(F)F)CC1 2353645310 NOIXEYQQNIACGG-UHFFFAOYSA-N 274.326 4.508 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@@H]2CC[C@H]1O2 2353906968 OGQQUXOTYZBCIO-BSDSXHPESA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CCC[C@@H]1C[C@H]1C 2356056075 FPRKLMFPNQJSQO-BRWVUGGUSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H](O)[C@@H]1C[C@H]1C 2357651574 QPORYARRRJTHTJ-BRSBDYLESA-N 283.500 4.512 30 10 CJEE Cc1cccc(/C=C\C(=O)/C=C/c2cccc(C)c2)c1 33575240 KLSUMXUEVAJVLW-DSOJMZEYSA-N 262.352 4.599 30 10 CJEE CN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCCCC1 36328625 ZZHQGTIAHLSEMO-UHFFFAOYSA-N 296.336 4.736 30 10 CJEE CCC(CC)N(C)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 36789058 RNBXITUGUMNRLR-LMMKCTJWSA-N 284.447 4.583 30 10 CJEE COc1ccc(Cl)cc1/N=C/c1cn(C)c2ccccc12 40570814 NZULBUDSXWXPCH-VXLYETTFSA-N 298.773 4.591 30 10 CJEE C[C@H](N[C@@H](CC#N)c1ccccc1)c1ccc(Cl)s1 55017923 YGVCVQVWTZKBDG-AAEUAGOBSA-N 290.819 4.707 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)Cc1ccco1 59434601 WPKSPWZEPAKQIG-LSDHHAIUSA-N 251.414 4.549 30 10 CJEE CCN[C@](C)(C#N)C[C@H](C)Sc1ccc2ccccc2c1 68625582 QRVBWDMLUXADMN-KSSFIOAISA-N 298.455 4.602 30 10 CJEE Cc1ccc(Cl)cc1-c1cc(CC#N)c(C(F)(F)F)o1 77086125 SSEZNVDGTGIIKQ-UHFFFAOYSA-N 299.679 4.993 30 10 CJEE N#C[C@H](CSc1ccc(Cl)cc1)c1ccccc1 80800555 IWCBGCOQJQGLLO-CYBMUJFWSA-N 273.788 4.739 30 10 CJEE CC(C)(C)Oc1ccc(CNc2ccc(CC#N)cc2)cc1 82712522 NCKBOOCRHVMSBY-UHFFFAOYSA-N 294.398 4.542 30 10 CJEE COc1cc(C)c(C(=O)/C=C/c2ccco2)cc1C(C)C 83193353 HOYOGKUBLNKVBZ-BQYQJAHWSA-N 284.355 4.616 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)s2)C1 83776089 VKIGPCGGPOVVES-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(F)ccc2F)C1 87972831 USWFXJBPNPBFJU-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87996712 OJOCPWQYTFDVGJ-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCC(C)(C)C2)CC1 91886364 FQFXXRBICXGPAK-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)[C@H]2CCC[C@@H](C)C2)CC1 91903965 PMFRYZDIRPSZEJ-XGELKXPVSA-N 277.452 4.530 30 10 CJEE CC(=O)c1cccc(/C(C)=N/c2ccccc2C(C)(C)C)n1 100220786 SABYQVCUNYPPQD-DEDYPNTBSA-N 294.398 4.722 30 10 CJEE CCCCCCCCCC[C@@H](CSC)NCC 103942298 DPZXXWVPSLRNBH-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCC[C@@H](C)NCCOc1cccc(C)c1 109938066 LMUJWAHBTITTJJ-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCCCCCCO[C@@H](CNCC)c1cccc(Cl)c1 110067845 PNWBCTGYHIMBFF-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NC[C@@H]1CC 114058478 INRUWJPDEBVLDZ-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@]1(CO)CCCc2ccccc21 116631550 QAIDOFRQBNOFJL-GOSISDBHSA-N 260.421 4.614 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)c1ccccn1 118067280 VWQRNLROCYAYHD-SJORKVTESA-N 276.468 4.914 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(C)c(F)c1 124696481 JLWISMHEDDIZDU-INIZCTEOSA-N 251.389 4.669 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(Cl)cc1 125304823 DBDRPHBEPLTBRS-INIZCTEOSA-N 282.859 4.985 30 10 CJEE CSc1cccc(N[C@H](C)c2cc(C)oc2C)c1C#N 130542147 DTYZCRQNGYNAOH-LLVKDONJSA-N 286.400 4.663 30 10 CJEE C=C(CNc1cccc(Br)c1)c1ccccc1 134356808 KDMOKNVWSUFSPN-UHFFFAOYSA-N 288.188 4.574 30 10 CJEE CCCCCCCCCC(=O)Cn1cnc2ccccc21 135409045 QIKVZJIECYCGAJ-UHFFFAOYSA-N 286.419 4.746 30 10 CJEE CCCCCCCCCC[C@@H](O)CCOCCC 135558012 AQUOFSAVPXBZAX-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CSc1cccc(Sc2ccccc2F)c1C#N 136988706 JOKXTZAGJAIANO-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE COc1ccc(C#N)c(Nc2ccc(Cl)c(Cl)c2)c1 149900325 LFRUUVDCGUSIJY-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE Cc1cc(Oc2cccc3ccccc23)c(C#N)c(C)n1 156599560 MINRLWRODWEESG-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCCCCC[C@](C)(O)CCCC(F)(F)F 157854453 KPZUZMMKNPYOJC-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1(OC)CCC(C)(C)CC1 166874982 RFQBTKRLFUTSBC-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C(F)(F)F)cc1 167776317 UYFDCWNZRIVCSK-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CC(C)c1ccc([C@@H](C)NCCCC(C)(C)C#N)cc1 174809899 AOBMERBSCOVZKU-OAHLLOKOSA-N 272.436 4.791 30 10 CJEE O=C(Nc1ccccc1)[C@H]1CCCC/C1=N\c1ccccc1 196521477 BZSIQURBUKQERM-DMEQXSTQSA-N 292.382 4.588 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 226590441 PCDIKLFGBSPSOS-ZETOZRRWSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCN[C@@H]1C 226688515 MUCQGUOWBFMKBU-IAGOWNOFSA-N 281.484 4.865 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)[C@@H](C)C1 227066823 IJBGHBQQVWFMDW-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2ccccc2s1 229740850 WFSDZBOROYTZEH-AWEZNQCLSA-N 259.418 4.908 30 10 CJEE C=C(CC)C[C@H](NCCC)c1c(F)cc(F)cc1F 229757320 UIVNCASEZFDIIU-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1nccn1CC 229806553 QLCXAKUMUVSPAN-QGZVFWFLSA-N 293.499 4.694 30 10 CJEE CC(C)C1CCC(Nc2ccc(C#N)cc2Cl)CC1 232545175 NBWOHHBGIYIBLV-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCC[C@H]1COCC[C@@H]1NCCC 232925019 IOWRNEVVENNASE-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCC(C)(C)C1 232964817 SHMABWZTNNCZAJ-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CC[C@@H](CC1CC1)Nc1ccc(C#N)c2ccccc12 233868340 MWSHEDDDMSTRLD-HNNXBMFYSA-N 264.372 4.702 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1[C@@H](C)NC 234438925 GYMVJFREJAWKRH-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE O=C(C1=CCCCCCC1)c1cnc2ccsc2c1 236394371 PQSNPGPVRRAQGA-UHFFFAOYSA-N 271.385 4.760 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@H](S[C@H]2CCC[C@@H](C)C2)C1 251849072 OVDLISIFOYVFJU-QZWWFDLISA-N 294.508 4.501 30 10 CJEE S=c1scc(-c2ccccc2)n1N=Cc1ccccc1 252593025 BIAGXFVBJBNHOR-UHFFFAOYSA-N 296.420 4.828 30 10 CJEE C(#Cc1ccccc1)C(=Nc1ccccc1)c1ccccc1 252631071 VHNQBHKMUZAEOR-UHFFFAOYSA-N 281.358 4.859 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@H]1O 252720563 LDLZUAPLDYIKAP-BMGDILEWSA-N 276.420 4.583 30 10 CJEE C=CCCCNCc1c(Cl)ccc(Cl)c1Cl 304266716 UXOUUBUVYLACPZ-UHFFFAOYSA-N 278.610 4.703 30 10 CJEE C=C[C@@](C)(CNC(C)C)C[C@@H](C)C1CCCCC1 310839033 KFRRJQDIAMNJQI-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE CCCCCCCCn1cnc2c1C[C@H](C)[C@H](C)C2 311770909 XCTZYWWYDIMMNH-CABCVRRESA-N 262.441 4.614 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCC(F)(F)C1 312128308 KBYAMMHFMYJCJM-HUUCEWRRSA-N 285.422 4.620 30 10 CJEE CC(C)C[C@@H](C)[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 312169728 ZQKNWWHVOUTVQC-JBCIKUTRSA-N 279.468 4.776 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)CC1 313437877 OLSTTYDDWCLLOL-DLBZAZTESA-N 270.420 4.769 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317506905 HANSYHSPJLCJTL-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE CC[C@@H]1CC[C@](CC#CC(C)(C)C)(CNCC(C)C)C1 317970423 BNSWBSRTKWPXHJ-MJGOQNOKSA-N 277.496 4.868 30 10 CJEE C=C[C@H](C)C1(CNC(C)(C)C)CCC(C)(C)CC1 318053434 YMWKZNQMSJLINN-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C=CCOCCC1(CNCC(C)C)CCCCCCC1 318214206 DVMZQEQTPZNJKZ-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE CCCCCCC[C@H](CC/C=C/c1ccccc1)NN 324288299 OKJANSNJPLKSPW-PMXLPMHFSA-N 274.452 4.672 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CC2CCC1CC2 380939601 LLJKIAIEVFERDG-SJJHQCBESA-N 252.442 4.924 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CC(F)(F)c1ccccc1 384734519 BUYIHMFDPDDUPZ-UKRRQHHQSA-N 263.331 4.889 30 10 CJEE C=CCC(C)(C)CN[C@H]1C[C@H](C)Sc2sccc21 386797164 MDMLNDRYSSMVBF-AAEUAGOBSA-N 281.490 4.865 30 10 CJEE CCCCCCC[C@](C)(CN)N1C[C@@H](CC)CC[C@@H]1C 394464535 VCCURJWVMSIAKG-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE N#CCc1c(Cl)sc2c(C(F)F)cccc12 396189382 LVUCHIJUKDZAIC-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@H](CSc1cc(F)ccc1F)C1CCCCC1 397142941 YSYCYRGWFPLNAG-GFCCVEGCSA-N 281.371 4.777 30 10 CJEE N#C[C@H](CNc1cccc2ccsc12)C1CCCC1 397298292 KWXRKVBNQVDBGM-CQSZACIVSA-N 270.401 4.643 30 10 CJEE C=CCCCCC[C@H](N)c1csc2c1CCCC2 399849889 JZNZWWFUDUPHBQ-HNNXBMFYSA-N 263.450 4.763 30 10 CJEE CCCCCCCCCCCC(=O)C[C@@H]1CCOC1 400889261 ZILYNOXVVJEGNH-INIZCTEOSA-N 268.441 4.903 30 10 CJEE CC[C@@H](CNc1cc(Cl)ccc1C#N)CC(F)(F)F 402550247 HCYJBEAHPASZTN-SECBINFHSA-N 290.716 4.602 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](C)[C@@H]1CCN 404256682 AYWNYOKGUUDURJ-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H](C)CC(F)F)CC1 688775453 OKZVOQLEQPNOAU-DNOWBOINSA-N 260.368 4.699 30 10 CJEE CCCCCCCCCNC[C@@H]1CCC[C@H]2C[C@H]21 694659081 FRFMQFKMLKMRRN-YESZJQIVSA-N 251.458 4.763 30 10 CJEE CCCCCCCCOCC[C@H](NC)c1ccccc1 694989829 NSSFBVVZIYTWBE-SFHVURJKSA-N 277.452 4.714 30 10 CJEE C=C(C)CCNc1cc(Cl)c(Br)cc1C 697731092 QCMJTYPIHOYYHU-UHFFFAOYSA-N 288.616 4.789 30 10 CJEE Cc1c(Cl)cccc1OC[C@@H](CS)C(C)(C)C 702656445 ZLMSMWCKUXEPTD-NSHDSACASA-N 272.841 4.619 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccccc1Br 704917721 QUFSQEVTCMBBFI-MBNYWOFBSA-N 292.220 4.883 30 10 CJEE N#Cc1cccc(-c2cc(Br)ccc2Cl)c1 705949787 UKRRVAYXHPIJSO-UHFFFAOYSA-N 292.563 4.641 30 10 CJEE CCC[C@@H]1CCCN(c2cccc(SCC)c2C#N)C1 708535843 QVIZVMYQKXJKKP-CQSZACIVSA-N 288.460 4.687 30 10 CJEE C[C@H]1C[C@@H](N(C)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 709183403 LHRDXANTYQNDBC-SWLSCSKDSA-N 290.838 4.863 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCCc2sccc21 710640227 YEUCRFVVYUSJRB-JSGCOSHPSA-N 283.868 4.679 30 10 CJEE C=C(C)[C@H](NCCC)C1CC(C)(C)CC(C)(C)C1 711110434 QAHWZBZUKRIFDA-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCCCCCCOCc1cc(CNCCC)cs1 711286546 DQZMOMYWLNQYLW-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716637128 OQRDDTASGZZOSK-TWMKSMIVSA-N 251.458 4.619 30 10 CJEE C[C@H](N[C@@H]1CCCCCC1(C)C)c1ccc(C#N)cc1 719215628 SUGDMLAIVHTOTI-WMLDXEAASA-N 270.420 4.568 30 10 CJEE CCCCCCCCC[C@]1(O)CCC[C@@H](OCC)C1 720795036 BRNWDRBPNHZIEZ-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCCCN[C@H]1CC[C@@H]1OC 724210187 OZMLGZDRNIDSND-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)(C)C)CC2(C)C)CC1 724553419 IMAJPVIMWWVJRQ-SFHVURJKSA-N 263.469 4.927 30 10 CJEE C=C1CCC(CSc2ccc([C@H](C)N)cc2)CC1 724560498 WZBBCYHJXAWDQZ-ZDUSSCGKSA-N 261.434 4.545 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2c(F)cccc2F)CC1 724567423 XAIPEABEBJKLKZ-MRXNPFEDSA-N 279.374 4.752 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2csc(C)n2)CC1 724595326 QKBOOKOUFWKIOE-OAHLLOKOSA-N 278.465 4.629 30 10 CJEE CCCCCCCCCN[C@H](CCO)C1CCCCC1 725078180 RHUNQBUZZVNLJH-GOSISDBHSA-N 283.500 4.658 30 10 CJEE C#CC(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 754002889 HHWJINSIWBOHQB-UHFFFAOYSA-N 295.407 4.533 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CC1(C)CCCC1 1126141914 SGMAZYZNZIXEDJ-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 1127301960 OURBKMMSMDGSCX-RTBURBONSA-N 297.442 4.947 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1csc2ccccc12 1133391799 UWYQPQFYFLAZKA-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(CCCCC)cc1 1135327891 VFJGGMCCNSFMIT-UHFFFAOYSA-N 273.420 4.960 30 10 CJEE C=C(C)CCN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 1191258988 QYRGXRRWWVLIPF-GDBMZVCRSA-N 261.409 4.581 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C(F)(F)F)co1 1196058269 YROBLFYTDQWNMA-SMDDNHRTSA-N 287.325 4.523 30 10 CJEE C=CCC[C@H](C(=O)N(C)c1ccc(C)cc1)c1ccccc1 1264890576 YLVUPIYHJGDWJH-IBGZPJMESA-N 293.410 4.708 30 10 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261.453 4.638 30 10 CJEE C=CCCCCCCCCCN(C)C[C@]1(F)C[C@@H]1C 2142392155 GHUBCSFBCLBMMQ-DLBZAZTESA-N 269.448 4.973 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@@H]2C[C@@H]2C1 2142403369 ANEMBVKOZRJMOK-NNZMDNLPSA-N 263.469 4.929 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCCOCC1 2145291604 GQBVZXNRTRKHSP-ROUUACIJSA-N 283.500 4.922 30 10 CJEE Cc1nc(C[C@@]2(C#N)CCC(F)(F)C2)sc1C(C)(C)C 2146983141 WBSDXYFKOZQMLZ-AWEZNQCLSA-N 298.402 4.621 30 10 CJEE CCCCCCCCC(=O)[C@@](O)(CCC)[C@H]1CC1(C)C 2147283828 OXTNXCDQIBOWOD-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCC)C1=CCCCCC1 2147767014 YXRBHCVBABISPB-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](O)C1CCCCCC1 2148584548 XJSOYAYUMVOPGJ-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H](O)CC1CC1 2148595975 ORNVSNMTQXZBDJ-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NC)C1(O)CC(C(C)C)C1 2148611621 HAFAEKGLNIWFRS-ADKAHSJRSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@](C)(O)CC1CCC1 2148612062 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CCCNC[C@]1(CC#CC2CC2)CCCC(C)(C)CC1 2157110569 HFVRVXCHUKAJIU-LJQANCHMSA-N 275.480 4.766 30 10 CJEE CC1(C)CCC[C@](C#N)(CCOC2CCSCC2)CC1 2157111063 JGWMAPFLJAVXKB-QGZVFWFLSA-N 295.492 4.789 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@H]1C[C@@H](OC(C)(C)C)C1 2158319396 CFQGLKFJJSHVKL-MWDXBVQZSA-N 281.484 4.551 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@H]2C[C@H]1C[C@H]2OC 2158635167 LFZFIPIEVYQTGO-XDNAFOTISA-N 281.484 4.660 30 10 CJEE C=C1C[C@@H]1C[C@](C)(O)c1ccc(-c2ccccc2)cc1 2158687054 MSNBRMCCUULSMZ-MJGOQNOKSA-N 264.368 4.527 30 10 CJEE CCCCCCC[C@@H](C)NCc1ncoc1C(C)(C)C 2160376759 MRXFHBDVEQSYLZ-CQSZACIVSA-N 280.456 4.811 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@@H](CC)CN 2164034527 QHDZYINUACUHAS-ZWKOTPCHSA-N 284.532 4.870 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(-c2ccccc2)cc1 2164139774 GAYHNIWVPCSGBJ-LJQANCHMSA-N 265.400 4.970 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166171803 QTYIYWUTYDSKJG-YLQAJVPDSA-N 288.822 4.982 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)[C@]2(C)CC=CCC2)CC1 2166493870 VMYBXMOYGLRETI-NXHRZFHOSA-N 275.436 4.594 30 10 CJEE C#CC(C)(C)C[C@H](NCC)c1cc2c(s1)CCCCC2 2167604637 SIQJJEHYHXNMOI-HNNXBMFYSA-N 289.488 4.717 30 10 CJEE C=CC1(C[C@@H](NCCC)c2ncsc2C2CC2)CCC1 2168017959 UQSVCLGSSMQUGK-CQSZACIVSA-N 290.476 4.808 30 10 CJEE N#C[C@]1([C@H]2[C@H]3CCCCC[C@H]32)CCCc2ccccc21 2168142054 QYFGILVUWXBYQV-UKBAYJJMSA-N 265.400 4.611 30 10 CJEE CCC(CC)[C@@H]1CNC(=NC[C@@H]2CCCC(C)(C)C2)S1 2168612610 ZYQVOJULDDPUTN-HIFRSBDPSA-N 296.524 4.700 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(F)c(F)cc1Cl 2168659932 KLGGKDPHUKIJDJ-HNNXBMFYSA-N 299.792 4.708 30 10 CJEE CCCC(C=O)(CCC)CN1C[C@@H](C(C)C)CC[C@@H]1C 2172250028 QYTOPZOBPQRDIJ-IRXDYDNUSA-N 281.484 4.528 30 10 CJEE CCCCCCCCC[C@@H](NC)c1c(Cl)ncn1CC 2175314969 KAKVMMZTPSBYJE-CQSZACIVSA-N 299.890 4.958 30 10 CJEE CC(C)C[C@@H]1CNC(=NCCC2CCCCCC2)SC1 2177249137 PGDAHGRKXRKRGN-MRXNPFEDSA-N 296.524 4.702 30 10 CJEE C=CCCCC[C@@]1(CNCC(C)C)C[C@H](C)O[C@H](C)C1 2179682736 YEHZSEXFSRCWMF-PIIMJCKOSA-N 281.484 4.552 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H](C)Oc1ccccc1 2179683848 YFLFNYIFKVAQRE-SJLPKXTDSA-N 275.436 4.569 30 10 CJEE CCCCCCCCCC[C@@H](O)C1C[C@@H]2CC[C@H](C1)O2 2181339829 WUJBZQVLFXLAQG-HQSKLWIPSA-N 282.468 4.836 30 10 CJEE COC1(C(F)(F)F)CC(CC2(C#N)CCCCCC2)C1 2181984630 BUYPUHATLRKWDW-UHFFFAOYSA-N 289.341 4.598 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@@]2(CCCOC2)C1 2185122086 NMFUVNSGDXIJBH-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE CC[C@@H](C1CCCC1)N(C)c1cc(Cl)c(C#N)cc1F 2185836927 HGDCEYDVGUSTEY-HNNXBMFYSA-N 294.801 4.756 30 10 CJEE CCSc1ccc(CNc2cc(C)ccc2C#N)cc1 2187840722 RVBUVGZOECDKKV-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE CCCCCCCCCCN(C)C[C@H](OC)C1CCC1 2195676524 KUUYWPDPLHITNI-SFHVURJKSA-N 283.500 4.874 30 10 CJEE CCCCCCCCN(C)c1nc(C(C)C)c(CN)s1 2196692988 VFGCYDYDQSNRER-UHFFFAOYSA-N 297.512 4.522 30 10 CJEE CCCCCCCN(C)C1(CNC(C)C)CCCCC1 2196725184 ACZUEQIXMQFRER-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1cc(F)cc(Cl)c1 2197140285 RPPNPMOATAIBQG-KRWDZBQOSA-N 289.781 4.843 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2C[C@]23CCCOC3)CC1 2198326911 FBYNPTLCBVALCF-IKJBURDNSA-N 275.436 4.693 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1C[C@H]1C1CCCC1 2200041310 LPQDWGCBQBIBFZ-OKZBNKHCSA-N 275.480 4.621 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cc(F)cc(F)c1 2203786850 XZQDSJLDPBZMBU-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc2ccccc2c1 2203787176 JNARVCXRTIWGJU-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CCCCC#CC[C@H](NCC)C1(C)CCC2(CC2)CC1 2203787818 RDNOSHVXJWCKME-KRWDZBQOSA-N 275.480 4.909 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2203788981 AAHGPYXTXVLHRU-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1(CC2CC2)CCC1 2203790761 JQLHLBABQJWNTL-GOSISDBHSA-N 275.480 4.909 30 10 CJEE C#C[C@@H](N[C@H](CC)CC1CCCCC1)C1CCCCC1 2203797880 HKUNIDANDHTPBJ-RTBURBONSA-N 275.480 4.907 30 10 CJEE CCCCCC#CCC1(CNC(C)(C)C)CCSCC1 2203807577 OJUXWDZLOYGMQU-UHFFFAOYSA-N 295.536 4.862 30 10 CJEE CCCCCC#CC[C@@H](NC)c1c(F)ccc(Cl)c1F 2203810070 LGWBLNNRSGLIGC-CQSZACIVSA-N 299.792 4.853 30 10 CJEE CCCCCC#CCn1c(CCC)nc2ccccc21 2203885652 ZCWNMMDZNIWCGY-UHFFFAOYSA-N 268.404 4.573 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(C)c(C)n1C(C)C 2205977587 GPYYCXKLIYVFJE-HOTGVXAUSA-N 275.440 4.628 30 10 CJEE C=CCCCCCCN(C)[C@H](c1cccnc1)C1CC1 2206894301 IRNMWPTZZQUHBD-SFHVURJKSA-N 272.436 4.601 30 10 CJEE C=CCCCCCC[C@H](N)C(CC)(CC)N(CC)CC 2206901145 ZRNYDLVCGDDNEG-KRWDZBQOSA-N 282.516 4.741 30 10 CJEE CCCC[C@H](C)CCC(=O)[C@@H](C#N)c1ccc(C)cc1 2206998645 NTAMLAXULROICP-YOEHRIQHSA-N 271.404 4.778 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H]1CC[C@@H](N)C1 2207395572 FOZXFRIULFMELS-KURKYZTESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](N)(CC)C(F)(F)F 2207396607 NBPHWFLQTIFJFS-AWEZNQCLSA-N 293.373 4.532 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H](OCC)C1(C)C 2207405581 YHVYEUZGUNTZHP-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@]1(C)C=CCCC1 2207433030 VHNLIOGDXHYYAC-QZTJIDSGSA-N 278.484 4.872 30 10 CJEE C=CCCCCCCCCC(=O)c1cc(C)nn1CC 2207435339 IKEGOPTYYYOEPP-UHFFFAOYSA-N 276.424 4.701 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1CCCO1)NCC 2207438654 SFZIMUFMWWAZHO-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CCCNC1(C)C 2207442885 VAKQVHHSFUMZIC-SFHVURJKSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)c1cccc(Cl)c1 2207448426 LVSHZTQYBWGJOF-KRWDZBQOSA-N 296.886 4.854 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCCC1CC1)NCC 2207453107 KAVVEGNVLXBJSR-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H]1CCC[C@@H]2CNCC[C@H]21 2218426591 UEKJYYYFEPVPRR-ZACQAIPSSA-N 251.458 4.763 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1CC[C@H]1C 2220613493 RLBNUBASDWZPLH-SJORKVTESA-N 251.458 4.881 30 10 CJEE CC1CC(C#N)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2222916899 YKFPMUOXRAMGSD-UHFFFAOYSA-N 253.336 4.532 30 10 CJEE C[C@H]1CCC[C@]1(C#N)CCCC(F)(F)C(F)(F)F 2223716038 HZRWDQIIANXNKL-VHSXEESVSA-N 269.257 4.684 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C)c(Cl)cn1 2223902268 JJEXCJHDGVDJBY-GXTWGEPZSA-N 264.800 4.590 30 10 CJEE N#Cc1ccc(OCCCCCCC2CC2)c(Cl)c1 2225779817 GTXFHQOHKGIDMJ-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE C=CCCC[C@H](CC=Cc1ccccc1)NCCC 2226224181 SCYJGQDLYGAIDI-GOSISDBHSA-N 257.421 4.814 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2F)c(F)cc1Cl 2226385061 LEFNLPAASWIHSA-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CCCCCCCC[C@@]1(N)[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 2227273883 IQFITYVZRJIARJ-NNPSNHGLSA-N 261.453 4.667 30 10 CJEE C=CCCCCCCCC(=O)C[C@@H]1CCCOCC1 2227285589 UTKSZPURARYEFR-MRXNPFEDSA-N 266.425 4.679 30 10 CJEE C=CCCCCCCC[C@H](N)C1CC2(C1)CC2(F)F 2227285742 KTRXGHKLOSIDRA-SLTAFYQDSA-N 271.395 4.666 30 10 CJEE C=CCCCCCCCNCCc1cccc(C)c1 2227291059 NHBNUISVZWVZPX-UHFFFAOYSA-N 259.437 4.654 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@H]1CC[C@H](CCC)CC1 2229877845 ZDNIZGFVCJKPFX-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C[C@]1(C2CC2)CCCN1CC1(CS)CCCCCC1 2230408429 DJKSONOUFNTTOS-MRXNPFEDSA-N 281.509 4.521 30 10 CJEE C=CC[C@H](CNC1CCC1)Cc1cccc(Cl)c1C 2231494722 ADHSPVRDBXDURJ-AWEZNQCLSA-N 277.839 4.525 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(C2CC2)cc1 2231599649 FKJITLZLIZQMLI-GOSISDBHSA-N 260.421 4.828 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2ccc(C3CC3)cc2)CCS1 2231692222 KSJGYEWZUVOREF-GUYCJALGSA-N 271.429 4.532 30 10 CJEE C=CCCCCCCC[C@]1(CNCC)C[C@H](C)O[C@@H]1C 2235523773 JEPUVQZXFUFEPX-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(OC)cc1F 2235540438 XEAYROSWTZJOGO-KRWDZBQOSA-N 279.399 4.751 30 10 CJEE CC1(C[C@@]2(C#N)CCOC23CCCC3)CC2(CCC2)C1 2236601233 NKMLIRGMSUFETG-QGZVFWFLSA-N 273.420 4.590 30 10 CJEE CC1=CC[C@](C)(CNc2cc(Cl)c(F)cc2C#N)CC1 2237337001 KLPBPBOJNGVIAT-INIZCTEOSA-N 292.785 4.899 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CCC[C@@H]1NC 2239492048 GZOFKJSUAIVNCZ-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CCCCC)OCc1csc(CNC2CC2)c1 2239510421 MSLMDBDSMZADAX-INIZCTEOSA-N 293.476 4.652 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)C[C@H](C)CCC 2240565618 KZWAUCWLKXVYRR-QZTJIDSGSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)Cc1ccccn1 2240644752 MWXWWEUILMRCNP-SJORKVTESA-N 276.468 4.741 30 10 CJEE C=CCCCCCCCSCCCCC(=O)O 2250021790 QWJCCAZFXDYUIA-UHFFFAOYSA-N 258.427 4.501 30 10 CJEE C=C(C)CCCC[C@@H](N)c1csc(Cl)c1OC 2250167234 QGDSEVWUQJEHSO-LLVKDONJSA-N 273.829 4.546 30 10 CJEE CCCCCCSc1cccc(SC)c1C#N 2252959202 FVZUDWASARYACR-UHFFFAOYSA-N 265.447 4.953 30 10 CJEE CCCCC[C@@H](CC)N(C)CC1(CS)CC(C)C1 2254142528 GAIQUEKVQHGNCB-HWOWSKLDSA-N 271.514 4.623 30 10 CJEE Cc1c(Cl)ccc(CC=CC#CC(C)(C)C)c1O 2256688173 QNMLGXZWKZLGHT-UHFFFAOYSA-N 262.780 4.502 30 10 CJEE C=CCC[C@H](CCCCC[C@H]1C[C@@H]1C)NCCC 2257252344 NFNQAYXVVCHSEK-YESZJQIVSA-N 251.458 4.927 30 10 CJEE CC(C)=CCC[C@@H](C)CCOCCCCCC#N 2257431680 DUEFVNNSMOCGPO-MRXNPFEDSA-N 251.414 4.860 30 10 CJEE C=CCCCSC[C@@H](N)c1ccc(C(C)C)cc1 2258976095 OBJQIJPKQPQRLI-MRXNPFEDSA-N 263.450 4.509 30 10 CJEE N#Cc1ccc(Cl)cc1NCC[C@@H]1CCCC12CC2 2266656943 RQCJOLCOFAJPIB-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE O=C(C#Cc1ccc(Cl)cc1)c1csc(C2CC2)c1 2267892308 AZBSHQGZEONXSP-UHFFFAOYSA-N 286.783 4.513 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)CC1CCCCCC1 2268828124 YNLJHUIMLHUTAQ-QGZVFWFLSA-N 262.437 4.704 30 10 CJEE C=C[C@@](N)(c1ccc(C(F)(F)F)cc1Cl)C(C)(C)C 2269712992 KKZXTJYNFRINGE-CYBMUJFWSA-N 291.744 4.745 30 10 CJEE C=CCCCSC[C@@H](NCC)c1cc(C)ccc1C 2271485545 OSQVGVNCGMQOIT-QGZVFWFLSA-N 277.477 4.653 30 10 CJEE C=CCCCS[C@@H]1CCCCCC(F)(F)[C@@H]1NCC 2271486848 BOLCOOFDQBHQJV-ZIAGYGMSSA-N 291.451 4.632 30 10 CJEE C=CCCCCCCCSc1ccc(CCN)cc1 2271502548 YTZDHULHSWCJFV-UHFFFAOYSA-N 277.477 4.807 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc2c(s1)CCSC2 2271784572 GGWMBPUVOKWESS-AWEZNQCLSA-N 295.517 4.934 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCCC(F)(F)C1 2271792026 RCQREIKQTOYHQZ-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCC[C@H]2C)CC(F)(F)C1 2273945597 ZOSJAMADEDKGGM-TZMCWYRMSA-N 287.419 4.875 30 10 CJEE CCC[C@@H]1CCC[C@@H](NCC#CC2CCCC2)CC1 2274111831 BOVBIRVIQQYLPW-SJLPKXTDSA-N 261.453 4.519 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1scc(C)c1C 2274122034 PATZOQOTVZUMPV-INIZCTEOSA-N 275.461 4.599 30 10 CJEE CCCCCCCCC[C@](C)(CC)OCCC(=O)O 2274757083 JTZOOWDBZLFWHB-INIZCTEOSA-N 272.429 4.787 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@@H]1CC)OCCN 2276076818 RWQMVDSJIKCESZ-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@]1(C)C[C@@H]1C 2276653464 KCXYZMQHQQCEEW-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H](C)C1CCC1 2276777091 BGCKAZWCLFQLCQ-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE Cc1cc(NCc2cccc(C#N)c2)c(Cl)cc1Cl 2277490906 GVWPUDKARIECHK-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CN(CCCCCCCS)[C@@H]1CCCCCC12CC2 2277508973 NWNNIZJZGPLIRP-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)COC(F)F 2278234168 KQHJCVXIIMFPHZ-ZIAGYGMSSA-N 279.415 4.733 30 10 CJEE Cc1cc(N[C@@H](C)CC2CCCCC2)cc(C)c1C#N 2280570505 OBFUNCXOLFKFCK-HNNXBMFYSA-N 270.420 4.946 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)c1sccc1CC 2283053311 PZQUPPASFJCUIF-JKSUJKDBSA-N 297.508 4.683 30 10 CJEE CCCCCCC[C@H](O)c1nc2ccc(OC)cc2s1 2283161278 MOCPUIGKNAQICE-AWEZNQCLSA-N 293.432 4.699 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C1CC2(CC2)C1 2284096072 PXTRXOCJUUUJAS-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCCCCCCCCO)C1 2286818749 JZFLTQSXZMOSES-QZTJIDSGSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@](C)(O)CCC=C(C)C 2287389505 FJLFTZKHGXMBSG-MSOLQXFVSA-N 281.484 4.598 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)CCCC(C)C 2287393086 VJYBXCSNTOUIML-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCCNC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287467314 UURHUETTZDNUPF-MUJYYYPQSA-N 285.422 4.784 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(C)c(F)c2F)CC1 2289641839 KZFSUBGLNMGLNG-UHFFFAOYSA-N 280.358 4.601 30 10 CJEE OC1(CC#CC2CCCC2)CCC2(CCCCC2)CC1 2289905150 PYBYQIGXTIMPOE-UHFFFAOYSA-N 274.448 4.826 30 10 CJEE C#C[C@H](N[C@@H]1CC(C)(C)CCC1(C)C)c1ccccc1 2290340414 LFKWDSOEWCBGSN-DLBZAZTESA-N 269.432 4.555 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCCC2(CC2)C1 2290874353 YENCWHRAPXBBMG-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=CCCCC[C@](CCC)(OCC(=O)O)C1CCCC1 2291469058 RICNZGPUDTXIDU-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CC[C@H]1C[C@@H]1C)OCC(=O)O 2291824219 BMCSXONGYFKWKP-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)c1ccsc1 2292575495 AZDALGLCICFZLK-OAHLLOKOSA-N 296.432 4.807 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCCN)C1CCC1 2292782963 WEAVYGDVAKNGPY-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CC[C@](C)(CC1CCC(CCC)CC1)OCCCN 2292812512 OLLRIQUQPSTPPG-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CC[C@@](N)(C#Cc1ccccc1Cl)CC1CCCCC1 2295221598 KQWYIQVNGVGNLA-GOSISDBHSA-N 289.850 4.769 30 10 CJEE CCCCCCCCC[C@H](C)N(CCCC)CC(=O)O 2295533512 HXUUTCYLDSERFJ-INIZCTEOSA-N 285.472 4.702 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)C1CCCC1 2295671134 MUVAYUVZXOEAGI-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)s1 2300175556 DTOWEPLUOFPWIS-IJLUTSLNSA-N 269.841 4.797 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301196267 XRMKEGAQLCZYAA-OTYXRUKQSA-N 272.219 4.775 30 10 CJEE C=CC[C@@H](C)C(=O)CCc1cc(Cl)cc(Cl)c1 2302386482 AXAXETDEAJYBOA-SNVBAGLBSA-N 271.187 4.707 30 10 CJEE CCCC#CC[C@H](O)c1c(Cl)cc(C)cc1Cl 2307625164 GHVKKJYTECZCCO-ZDUSSCGKSA-N 271.187 4.529 30 10 CJEE Cc1ccc(C)c(SC[C@H](CS)CC(C)C)c1 2308061441 DYVQQWKLJKCPPA-AWEZNQCLSA-N 268.491 4.988 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1N 2313530714 AGUQEHMGONZEHB-GBJTYRQASA-N 269.498 4.616 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1(CC(C)C)CCCC1 2316744449 ODOBEJUJFLOLBE-MRXNPFEDSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc2ccsc12 2316747540 RKFUVBYTKGZATJ-HNNXBMFYSA-N 258.386 4.703 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(OC)c(Cl)s1 2318011458 IYOWTAUCSQXHDM-LLVKDONJSA-N 287.856 4.807 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1CC1(C)C)NCC 2321098388 JJEKDCFSZBRXKM-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(Cl)c(Cl)c1 2321134960 RGZJRJSIGFJKBL-HUUCEWRRSA-N 286.246 4.856 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)c(SC)c1 2328526126 QZIJKWBYYPXGLC-LBPRGKRZSA-N 262.422 4.661 30 10 CJEE CCC(=NOCc1ccccc1F)c1ccc(F)c(C)c1 2330277611 CPJMZKQMWYDAQV-UHFFFAOYSA-N 289.325 4.604 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)cc1C 2335238813 PPYXBMNDZAVEMU-CQSZACIVSA-N 277.477 4.940 30 10 CJEE CCCCCCCCCCC(=O)C#Cc1nccs1 2338217394 FPLZEVYDIXETPX-UHFFFAOYSA-N 277.433 4.595 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340271933 FDOZVWBVVOGBBZ-LLVKDONJSA-N 299.867 4.500 30 10 CJEE C[C@@H]1C[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CO1 2341199081 QRIDLNMKDIBFOW-IAQYHMDHSA-N 298.213 4.635 30 10 CJEE CC1(C)CCC[C@](C=O)(CC[C@H]2CC[C@H]2C2CC2)C1 2342537114 CRUAKJLTVVIYQY-RYRKJORJSA-N 262.437 4.988 30 10 CJEE CCCCCCCC(=O)c1ccc(F)c(OC)c1F 2344231502 WGQMSKBHHQHLDZ-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccccc1C1CCC1 2344458750 BFROIMCEYORNCN-ZWKOTPCHSA-N 258.405 4.980 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1CC2(C1)CC(C)(C)C2 2344463127 PKRNKJHJAZDDAW-DOTOQJQBSA-N 264.453 4.946 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 2358322949 ZIOMFEQZEKPNGF-XYJFISCASA-N 278.436 4.820 30 10 CJEE Cc1ccc(C)c(-c2[nH]c3ccc(C)cc3c2C#N)c1 19724751 AOOVPPWZXYYGBZ-UHFFFAOYSA-N 260.340 4.632 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155059 DSLXSLDVSRXMLH-DVOMOZLQSA-N 275.417 4.506 30 10 CJEE CC(C)CS[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37156376 LJSOCNRFTKUAIX-MCIONIFRSA-N 253.455 4.730 30 10 CJEE N#Cc1ccc(NC2CCCCCC2)cc1C(F)(F)F 37390354 FYEUGHFAFJESDH-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCCc2ccccc21 37937361 WPXDFLFEBPSGHK-KRWDZBQOSA-N 282.774 4.507 30 10 CJEE C=C(C)Cn1c(-c2cccc(C)c2)nc2ccccc21 40239592 XOQPQFFXGBMMAD-UHFFFAOYSA-N 262.356 4.588 30 10 CJEE CCCC1CCC(N[C@H](CC#N)c2ccccc2)CC1 55018293 FMPGNUDWQRIJMC-VMWRSERWSA-N 270.420 4.590 30 10 CJEE Cc1cc2nc(C3CCCCC3)n(C[C@@H](C)C#N)c2cc1C 57801569 CXLFIYBAUHNIAZ-ZDUSSCGKSA-N 295.430 4.861 30 10 CJEE CCCCCCCNc1cc(OCC)ccc1OCC 59088756 DSLKYLNVPOUZTI-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE CCc1ccc(OC)c(-c2cc(CC#N)c(CC)s2)c1 77097521 JNEFAMVKCVFCOY-UHFFFAOYSA-N 285.412 4.615 30 10 CJEE N#C[C@@H](CSc1cccc(Cl)c1)c1ccccc1 80800906 IDFZPNGDWDNXHX-ZDUSSCGKSA-N 273.788 4.739 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(Cl)cc1Cl 85057074 AVHVGHCRCPWVKX-JTQLQIEISA-N 258.192 4.610 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2cccc(F)c2C#N)CC1 86939756 ZRFUTPGKZXSCEZ-KBPBESRZSA-N 274.383 4.858 30 10 CJEE N#C[C@@]1(Cc2ccccc2Cl)CCc2ccccc2C1 87998298 OTAODUGOKSRDER-SFHVURJKSA-N 281.786 4.581 30 10 CJEE CC(C)(C)c1ccc(OC[C@H](CS)C(C)(C)C)cc1 94582791 WXCVMJQKXPWFNZ-CQSZACIVSA-N 280.477 4.955 30 10 CJEE CC(C)CCN(C[C@@H](C#N)c1ccccc1)C1CCCC1 94848777 XNNXCNNFLBDFBY-GOSISDBHSA-N 284.447 4.584 30 10 CJEE Cc1cc(CNc2ccc(Cl)cc2C#N)cc(C)c1F 94894813 TWGLZNJACSPWRT-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCCCCCCCCCCCC(=O)NCCCOC 100442283 QKEDHXADOMVBFJ-UHFFFAOYSA-N 299.499 4.840 30 10 CJEE CCCCCCCCCN1C[C@H](C)Oc2ccc(N)cc21 104073838 AXOVCPBFMYSZJK-HNNXBMFYSA-N 290.451 4.607 30 10 CJEE CCCCCCC[C@H](NCCC)c1nc(C)cs1 104443613 OZTJSFFIVRIERY-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc2[nH]ncc12 109915530 RNUBOQWBQZIZQS-CYBMUJFWSA-N 259.397 4.724 30 10 CJEE CCCCCCC[C@H](C)NCCc1ccsc1 109929622 RKXOTOQCGUHRTO-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CCCCCCCCO[C@H](c1ccccc1C)[C@H](C)N 109988970 VNBJCEQKULIIBH-WMZOPIPTSA-N 277.452 4.760 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(C#N)NC1CCCCCC1 110029388 TTYRHNOUJMBSKX-FUHWJXTLSA-N 276.468 4.797 30 10 CJEE CCCCCCCCO[C@@H](CNC)c1ccc(Cl)cc1 110070413 VYQDWGMWFSSAOG-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE CCCC[C@H](CC)CNc1ccc(C#N)c(Cl)c1 110162900 YOSQACVQXJZPMJ-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE CCCCCCCOCCN[C@H](C)CCCCC 110240045 XNYUEBCRPMFSJQ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CC(C)N(Cc1ccccc1)c1ccc(C#N)cc1Cl 110252461 UWSZXCDKQTVEKH-UHFFFAOYSA-N 284.790 4.627 30 10 CJEE Cc1ccc(Nc2ccc(Cl)cc2C#N)c(C)c1 110252785 FPSFPZSGIUCVOQ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#Cc1ccc(O[C@H]2CCCc3ccccc32)c(Cl)c1 110260011 GKWWQDNFYWWOEA-INIZCTEOSA-N 283.758 4.668 30 10 CJEE CCCCCCCc1noc(N)c1-c1ccc(C)cc1 113098497 GTBOLMWEYYJDJO-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE CCCCCCC[C@@H](O)c1c(F)cccc1Cl 114874022 KYVCNFQGIWZPHO-CYBMUJFWSA-N 258.764 4.873 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NCC12CCCC2 115231530 OTSOQKDOXNTOMD-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@H](N)C1(N(C)C)CCCC1 118173516 RKHBMYNXLCMFBG-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCOC[C@H]1CSc2ccccc21 118642880 LHRDSJHOCUNXSM-AWEZNQCLSA-N 264.434 4.863 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc(Br)c1C 125690209 BJYKAISDCOFTRS-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE Cc1cc(N(C)[C@H](C)c2cccc(Cl)c2)ccc1C#N 126892344 GQUVHSGMHPHZOB-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE CCCNc1nc(-c2cc3ccccc3s2)ccc1C#N 127156059 WRTNMOXIUYUGAU-UHFFFAOYSA-N 293.395 4.657 30 10 CJEE CCCCCCCC[C@@H](NN)C(CCC)CCC 130330059 YQXIPHSBTLKYRE-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1ccc(C(F)F)cc1 131494449 DGXLQJKENHCQPI-OAHLLOKOSA-N 278.346 4.501 30 10 CJEE CCCCc1ccc(OCCCCCS)cc1 132082387 NYBVOAQRDGUAHJ-UHFFFAOYSA-N 252.423 4.508 30 10 CJEE CCCCN(c1cccc(SC)c1C#N)[C@H](C)CC 136647614 WVCWXYAUAKJDTE-CYBMUJFWSA-N 276.449 4.685 30 10 CJEE CCCCCCC[C@H](NCCC)c1csc(C)n1 139554501 MWTYFFQJOSMCEY-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cscn1 157302434 LJDSLIGBSNAVSJ-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C(C)(C)C)C1 163652462 SLPAEWPDLHSGNX-HNNXBMFYSA-N 285.541 4.871 30 10 CJEE CC(C)(C)c1ccc(CNc2cccc(F)c2C#N)s1 165896539 HXNWLHNEAVJUMW-UHFFFAOYSA-N 288.391 4.668 30 10 CJEE C=C(CC)CC(=O)c1ccc(Br)cc1Cl 169198002 JERCPQUVRWBNDA-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=C(C)[C@H](N[C@@H](C)c1occc1C)c1ccc(F)c(F)c1 186453453 GDRIKEGGNCAGEY-LRDDRELGSA-N 291.341 4.834 30 10 CJEE CCCCCC/C=C/CCCCCCCC(=O)NC 204938433 MLMINFBPDOLRIO-CMDGGOBGSA-N 267.457 4.990 30 10 CJEE CCCCCCCCOCc1cccc(/C=C\C(=O)O)c1 214847944 BBNYBOHTVQGEQF-QXMHVHEDSA-N 290.403 4.662 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2cc(C)ccc2C)C1 218262686 LRERTDHTXBQMDW-NZSAHSFTSA-N 285.431 4.621 30 10 CJEE C=CCSCCN[C@@H](c1ccccc1)C1CCCCC1 231932171 GRLRXMMMDWGJRC-SFHVURJKSA-N 289.488 4.817 30 10 CJEE Cc1ccc(CC2(C#N)CCC(C)CC2)c(Cl)c1 232848683 BNLAPNWJCLJPGC-UHFFFAOYSA-N 261.796 4.911 30 10 CJEE CCCCCCCCOc1cc(Cl)c(F)cc1N 232934902 WRTCGDKBLUEJRC-UHFFFAOYSA-N 273.779 4.801 30 10 CJEE CCCCCCCCOC(=O)c1cc(S)ccc1F 232956364 KPPASVNCHIWAGQ-UHFFFAOYSA-N 284.396 4.632 30 10 CJEE CCCCCSc1ccc(C#N)c2ccccc12 233088702 LDZCPVOUZMKTOF-UHFFFAOYSA-N 255.386 4.994 30 10 CJEE C=CCCCCC[C@@H](CCCc1ccccc1)NC 234422362 WQHRNAPYIAWOML-SFHVURJKSA-N 259.437 4.734 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@H]1O 250794180 AAVNEFCJRNUPPV-BRWVUGGUSA-N 270.457 4.549 30 10 CJEE CSc1cccc(N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 252818857 MHXIWFYBEXYIEW-XDQVBPFNSA-N 286.444 4.517 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252903817 PENAKCOZABGTGF-NRKLIOEPSA-N 269.473 4.514 30 10 CJEE N#Cc1ccc(C=Nc2ccc(Cl)c(Cl)c2)cc1 254632570 XHYORMJVXDERQF-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE N#CCCc1csc(-c2ccc(Cl)c(Cl)c2)n1 310282352 YFGXUGRMYPZLJS-UHFFFAOYSA-N 283.183 4.573 30 10 CJEE C=CCCCCCCNc1ncnc(Cl)c1CCC 312065309 KOVCJCVWYZNWIY-UHFFFAOYSA-N 281.831 4.631 30 10 CJEE C=CCCCCCCNC1CC(c2cccc(F)c2)C1 312501660 XYUOUPCMCDNGGH-UHFFFAOYSA-N 275.411 4.798 30 10 CJEE CCCCCCCCC[C@@H]1NC(=O)C12CCCCCC2 312964544 ULWRMIALHVJLRA-INIZCTEOSA-N 279.468 4.966 30 10 CJEE O=CC1(Cc2c(F)cccc2Cl)CCCCCC1 316458683 PFXMDNVZKHZORO-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CSc2ccccc21 316839217 SPQSXCZCWRFCEW-CPUCHLNUSA-N 274.429 4.661 30 10 CJEE O=CC1(Cc2csc(Cl)c2)CCCCCCC1 316930020 FBSJQVCGKDQRPP-UHFFFAOYSA-N 270.825 4.874 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCCC[C@H]1C 318910853 UGFBKENCJATWJS-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE CC1(C)CC(=O)C=C(CC/C=C\c2ccccc2)C1 324194038 VAEREDOMCCFMEP-POHAHGRESA-N 254.373 4.796 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2cccc(Cl)c2Cl)O1 380063043 YNQXFNWZDAMBQH-YPMHNXCESA-N 270.159 4.517 30 10 CJEE C=CCCCCCCN[C@H]1c2ccccc2OC1(C)C 380627292 SXNVGCBLIXSYMT-KRWDZBQOSA-N 273.420 4.625 30 10 CJEE C=CCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 384171672 WSXVLHJBLNTUPF-MELADBBJSA-N 251.439 4.650 30 10 CJEE N#CC1(CCCOCc2ccccc2)CCCCCC1 390764701 CWIMAZAJSOLDSR-UHFFFAOYSA-N 271.404 4.848 30 10 CJEE CCCC1CCC(C#N)(CCc2ccncc2C)CC1 397550514 WTVMWPDPOQMUGO-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE CN(CCCCCCCCCS)CCCC(F)(F)F 402568341 NFCHALYVBGEUIH-UHFFFAOYSA-N 299.446 4.921 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(Nc2ccccc2)c1 467717509 CTQAQALQJMEKBF-HNNXBMFYSA-N 294.398 4.971 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@H]1C(C)(C)CC)c1ccccc1 536234003 SGUYHHKQTWPFHP-WMZOPIPTSA-N 299.458 4.774 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1c(C)cccc1C(C)C 539442635 YTGKFTNXZSWKDX-OAHLLOKOSA-N 288.435 4.985 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)O 686680322 MJKSAUADTPQPFY-OAGGEKHMSA-N 278.436 4.733 30 10 CJEE C#CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NC 686690909 CRSPHLAZGHSMJD-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)cs1 686701428 SJSKBGRBJPLZMA-HNNXBMFYSA-N 263.450 4.681 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC[C@H]2CCCCO2)C1 688021715 WZEKHANWFCFUGA-OAHLLOKOSA-N 280.452 4.757 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCc2cccnc2)C1 688315981 PACNHNWTRVCTND-UHFFFAOYSA-N 270.420 4.760 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1cccc(C#N)c1 691050782 XKUZNLCVXXDCFE-IRXDYDNUSA-N 256.393 4.575 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2ccc(C)cc21 692188758 AWWFRESFPLTIKA-DZGCQCFKSA-N 286.444 4.941 30 10 CJEE CSc1cccc(NCC2C[C@@H](C)C[C@H](C)C2)c1C#N 695284650 CQYVRIXTKRMNIQ-STQMWFEESA-N 288.460 4.764 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@](C)(N)C1CC1 695770480 BOXBEZCACBYYRB-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H]2CCCC(C)(C)CC2)c1 697537015 WKBHPHMJEKZLQX-MRXNPFEDSA-N 270.420 4.662 30 10 CJEE CC1(C)CCC(C)(C)C1Nc1cc(Cl)ccc1C#N 699566869 YDGANVNJECGGBF-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE Fc1cc(Cl)cc(OC[C@H](CS)c2ccccc2)c1 703733224 OVPPBCGADMTQOT-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE C=CCCC(C)(C)CNC1CC(c2ccc(F)cc2)C1 703989920 ULYYJWBPWMXZNP-UHFFFAOYSA-N 275.411 4.654 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H]2CCCC[C@]21C 707195840 FYZXEHVAUZDBSL-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)[C@]12CCCC[C@H]1C2 709205764 RULWFJSMVZSBMT-DETPVDSQSA-N 274.795 4.592 30 10 CJEE C[C@@H](CCC#N)Oc1cc(Cl)c(Cl)cc1Cl 709958613 CEWVHAZKWPIFJF-ZETCQYMHSA-N 278.566 4.718 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C(C)(C)C)nn1C 712775252 PEZMGUCGVPVDBW-OAHLLOKOSA-N 280.456 4.502 30 10 CJEE C=CC[C@@H](C)C(=O)C(c1ccccc1)c1ccccc1 715735310 CAPGSUFBVNTPBF-OAHLLOKOSA-N 264.368 4.600 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715747408 HIBVQRQVEHRIAU-DOOAHGOASA-N 275.480 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](CSc1cccc(Cl)c1)NCC 715801606 YTIFFNMFATZYRF-SWLSCSKDSA-N 283.868 4.622 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cscc2C(F)F)CC1 720282697 SBWABZDOGSQEJF-MRVPVSSYSA-N 256.317 4.615 30 10 CJEE CCCC(CS)(CCC)CO[C@H]1CC[C@@H](C)C1 721562750 VXNVQOGSNPRZJU-KGLIPLIRSA-N 258.471 4.708 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC12CC2)NCCC 723183093 PFEXNRXHMJWCGR-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE C=C1CCC(CNc2ccc(C)c(Br)c2)CC1 724550442 RITVVMSOZXOBHZ-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE C=C1CCC(CC(=O)c2ccc(Cl)c(C)c2)CC1 724594842 JNFUOZAVBWGNNV-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2C[C@H](C)O[C@H](C)C2)C1 724879789 JTIZPDVZLLHVJY-ALYAQQCSSA-N 263.425 4.690 30 10 CJEE N#CCc1cc(F)cc2scc(SC(F)(F)F)c12 725305334 ZGYUBZPBDUCWCY-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE COc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1F 725400387 SDKSKOXRVCZDNH-UHFFFAOYSA-N 282.358 4.532 30 10 CJEE C=CCCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 883227105 LKZKGQRRQXHYLR-BPQIPLTHSA-N 295.430 4.576 30 10 CJEE Cc1ccc(O)c(N=Cc2c(Cl)cccc2Cl)c1 1084418268 WPAVRJNNXDZVQC-UHFFFAOYSA-N 280.154 4.758 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCC[C@@H](F)C1 1129529877 WUWRIXYOJSAXPM-HZPDHXFCSA-N 283.431 4.548 30 10 CJEE C=CCCCCCCNCc1c(O)cc(C)cc1Cl 1178688110 CLAIKWKXMFUIFR-UHFFFAOYSA-N 281.827 4.580 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(Cl)cc2)CCCC1(C)C 1193920283 LPNDAQRSKGMAIS-KRWDZBQOSA-N 291.866 4.949 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc2c1OC(C)(C)C2 1203113190 JCXGEOFWKTZSHN-YJBOKZPZSA-N 299.458 4.625 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCCC1(C)C 1216884123 KWCIFWPETVOTCS-MRXNPFEDSA-N 286.419 4.505 30 10 CJEE C=CCCCCCN1CC[C@H](Cc2ccccc2)[C@@H]1C 1307518784 HXFLQQMETNDHSR-PKOBYXMFSA-N 271.448 4.686 30 10 CJEE C=CC[C@@H]1N(CCSC(C)(C)C)CCCC1(C)C 1307730030 SCITZODMAXKYBQ-AWEZNQCLSA-N 269.498 4.585 30 10 CJEE C=CCCCCCN(C)C/C=C/c1ccc(F)c(F)c1 1308619407 MEYMTTHIAYXTHR-CMDGGOBGSA-N 279.374 4.656 30 10 CJEE C=CC[C@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 1308879784 AXDJHUSWKFZKOP-POZKEBTKSA-N 269.432 4.523 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1cccc2ccccc12 1310101298 AEJVOCXHHQKEOU-UHFFFAOYSA-N 296.414 4.954 30 10 CJEE C=CC1(CC(=O)N(CC)CC(CC)CC)CCCCC1 1356464697 HATVSEOSSWGVBV-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=C(C)CCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 1361117607 IHUUTZXIFAVBQD-SFHVURJKSA-N 285.431 4.713 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H](C)c2ccccc21 1435840323 VPALWWXGKSPPSX-HUUCEWRRSA-N 271.404 4.519 30 10 CJEE C=CCC1(C(=O)OCc2cc(C)ccc2F)CCCCC1 1436278542 QAOVTQUSBIADAI-UHFFFAOYSA-N 290.378 4.704 30 10 CJEE C=CCCCCCN1CCN(CCC)c2cc(F)ccc21 1459937886 FBVSPFZPKFOKJO-UHFFFAOYSA-N 290.426 4.609 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccnc(-c2ccccc2)n1 1472830837 MKKBXGPUURGHRQ-DOTOQJQBSA-N 293.414 4.690 30 10 CJEE C=C(C)CN[C@@H](c1ccc(CC(C)C)cc1)C(C)C 1473231404 IAVBRXAHJJHUGX-GOSISDBHSA-N 259.437 4.748 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCCc2sccc21 1474420566 XQUSVGWVCVFPMQ-HIFRSBDPSA-N 263.450 4.850 30 10 CJEE C=CCCCCC[C@H](C)NCc1cc(C)cc(Cl)n1 1474469075 OZJIJFSTLSDDBG-AWEZNQCLSA-N 280.843 4.658 30 10 CJEE C=CC1(CC(=O)Nc2ccc(Cl)nc2C)CCCCC1 1525071396 CHEQOQXUMKAIOC-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H]1CCCc2ccc(Cl)cc21 1530912418 CHHFGYWVZUMQLK-OAHLLOKOSA-N 292.806 4.863 30 10 CJEE CC(C)(C)/N=C/c1cc(Cl)ccc1C#Cc1ccccc1 1535542693 KAXDNFXXFPFUHO-KGENOOAVSA-N 295.813 4.957 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 1544562523 AGGLMNOZNSFYTP-INIZCTEOSA-N 291.822 4.606 30 10 CJEE C#CC[C@@H](Nc1nc2cc(C)ccc2s1)c1ccccc1 1559143799 MRDGPDZTRAHVHB-OAHLLOKOSA-N 292.407 4.781 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc(Cl)s1 1559731971 DPAWDXGJUZJPAU-LBPRGKRZSA-N 269.841 4.636 30 10 CJEE C=C(CC)CN(CCC(C)C)c1ccc(OC)cc1 1559809977 UWNXRWVIKFAKNY-UHFFFAOYSA-N 261.409 4.514 30 10 CJEE C#CCOc1ccccc1NCc1csc2ccccc12 1560443178 RQKKRSJLSBJGMD-UHFFFAOYSA-N 293.391 4.525 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@@H](C)SC1)c1ccccc1 1560572467 OBQLTRSKVGIGDE-NXHRZFHOSA-N 289.488 4.958 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)CCCCC1 1586331770 PBVONFQFLBJOIX-IKGGRYGDSA-N 291.479 4.702 30 10 CJEE C=CCCCCCN1CCSC[C@@H]1c1ccc(C)cc1 1615486639 ZNRPLUALZVDLQE-GOSISDBHSA-N 289.488 4.831 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC1CCCCC1 1617459081 VBHWFYCZSUPKQG-SJORKVTESA-N 277.452 4.598 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2c(C)cccc2o1 1617466786 VHHSWDDMYAUTEJ-GOEBONIOSA-N 297.398 4.606 30 10 CJEE C=C[C@@H](C)NCc1ccc(N(CC)c2ccccc2)cc1 1620858148 LEHHKDFEJRMBAU-MRXNPFEDSA-N 280.415 4.509 30 10 CJEE C=CC[C@H](CC)NCc1ccc(C2CC2)c(C2CC2)c1 1620916323 NBBSENWULYQWHW-KRWDZBQOSA-N 269.432 4.886 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H](C)c1ccc(F)cc1 1621139340 HSPSBBYOTQFBOX-MRXNPFEDSA-N 283.390 4.617 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@H](CC)Cc1cccc(C)c1 1627249617 PVRVXWIDUUIAGY-MOPGFXCFSA-N 299.458 4.521 30 10 CJEE C=C(CC)CN[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1644267918 OEHRXQVPXJTLAB-QZTJIDSGSA-N 271.448 4.905 30 10 CJEE C=CCN(CC[C@@H]1CCCC1(F)F)CC1CCCCC1 1644602961 KRVVZJDNGHFIBV-INIZCTEOSA-N 285.422 4.880 30 10 CJEE C=CCCCCCN1Cc2ccccc2C[C@H]1CC 1645200711 XASTVMPOLLZYQF-GOSISDBHSA-N 257.421 4.570 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(-c2ccccc2)ncn1 1651237500 PEUHJIPZUNFFSS-NVXWUHKLSA-N 293.414 4.690 30 10 CJEE C=CCCCCN1CC=C(c2ccc(Cl)cc2)CC1 1653657441 SBSWMOPEXQRYEG-UHFFFAOYSA-N 275.823 4.785 30 10 CJEE C=CCCCCCN1CCC[C@]1(C)Cc1ccc(F)cc1 1653942191 HPRDGWONQXNJIC-LJQANCHMSA-N 289.438 4.969 30 10 CJEE C#Cc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 1655699675 VCTJLXPBSHHNNJ-UHFFFAOYSA-N 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SCCCCCCCN1CCC(c2cccs2)CC1 2277508107 RBUXUWHDERVEHO-UHFFFAOYSA-N 297.533 4.808 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(C(F)(F)F)s1 2277662761 IKXQZXLVXSIPIZ-NSHDSACASA-N 289.366 4.611 30 10 CJEE CCCCCCC[C@@](C)(O)C#Cc1ccccc1Cl 2277867906 NVHZNNSMIOATHN-QGZVFWFLSA-N 278.823 4.803 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)C(C)(C)CO 2278229736 OLBXWZBMJNEJRO-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C)NCc1nocc1C 2278233843 IWJLCRPYXYQFQR-HNNXBMFYSA-N 266.429 4.602 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC(F)(F)C12CCC2)C(C)(C)C 2280878505 IBPTVLSQZVLQHE-KGLIPLIRSA-N 285.422 4.782 30 10 CJEE C[C@@](C#N)(C[C@H]1CC(F)(F)C12CCC2)c1ccccc1 2280995719 MXQRZGSLKJCLCI-GJZGRUSLSA-N 275.342 4.683 30 10 CJEE CNCC1(CC=CC#CC(C)(C)C)CCC2(CC2)CC1 2284079418 IUWCUTMYWYWRDM-UHFFFAOYSA-N 273.464 4.542 30 10 CJEE CN[C@@H]1C[C@@H](CC=CC#CC(C)(C)C)CC2(CCC2)C1 2284083524 HRDRYZHVGOVJRX-IAGOWNOFSA-N 273.464 4.541 30 10 CJEE CSc1ccc([C@](C)(N)CC=CC#CC(C)(C)C)cc1 2284088392 GGYHEGATGAMOMR-GOSISDBHSA-N 287.472 4.578 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@]1(C)CC=CCC1 2284088582 LALFTVWABNSJDJ-MJGOQNOKSA-N 273.464 4.707 30 10 CJEE CC1(C)CCC[C@](C#N)(c2cc(C(C)(F)F)ccn2)C1 2284115144 FLMJZZHWCFZAMR-INIZCTEOSA-N 278.346 4.555 30 10 CJEE CCC(CC)([C@@H](N)CC=CC#CC(C)(C)C)C(F)(F)F 2284167546 RKTNHOZWIRTPBT-ZDUSSCGKSA-N 289.385 4.678 30 10 CJEE CCC#CCOc1cc(C)c(Cl)cc1[C@@H](C)NCCC 2286441262 COAYAFMBPBHGAE-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=C(C)CCCC[C@]1(N)CC(C)(C)Oc2ccccc21 2287399410 ICUNPOQQRSATPT-SFHVURJKSA-N 273.420 4.538 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2287464872 DSCKNTBTKARWAV-VSZNYVQBSA-N 295.536 4.880 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H]1CCC[C@@H](CC)CC1 2287681891 QPKFOPRHCVIPMB-FGTMMUONSA-N 281.484 4.673 30 10 CJEE CO[C@@H]1C[C@](C=O)(CC[C@H](C)CCCC(C)C)C1(C)C 2287866940 GGPIFVOXEWNZLU-NUJGCVRESA-N 282.468 4.859 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(F)c(-c2cccs2)c1 2288689248 YIVUKFOJMCOVKC-CYBMUJFWSA-N 289.419 4.856 30 10 CJEE CCCCCCCCCC[C@H](C#CC1CCCC1)NN 2289675466 YUSXUORWNDVXCM-GOSISDBHSA-N 278.484 4.543 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1(C2CC2)CCCC1 2289716402 XFUJBGQSMVWPFL-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C[C@H](C)C(F)(F)F 2289866951 NTWGYLGBAKXYCM-ZFWWWQNUSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C=CCCC1)OCC(=O)O 2291099025 FFJOUNXJZPASNZ-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@@]1(C)C[C@H]1C)OCC(=O)O 2291498975 PPEAZWPAWKWULZ-DJIMGWMZSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(CC[C@H]1C[C@H]1C)OCC(=O)O 2291824218 BMCSXONGYFKWKP-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)C1CC(C)(C)C1 2292780454 XRFSVDRSGPJCQV-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)c1ccc(C)cc1Cl 2293138034 GYPUPUBCHYQOCS-YOEHRIQHSA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC[C@@H]2C[C@H]21 2293414347 SYGWSEACUQBTFO-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)[C@@H](C)CC(C)C 2294027185 PQNSSRUFTHVNBV-ZWKOTPCHSA-N 283.500 4.929 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H]2CCC[C@@H]21 2294360465 FQOFFYWAEVWLDT-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=CCCCC[C@H](OCCCN)c1cccc(SC)c1 2294410568 PPUYXYOKJPHIFG-KRWDZBQOSA-N 293.476 4.561 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc2ccc(Cl)cc2n1 2294977074 PYMDCGUNZOSPPF-OAHLLOKOSA-N 288.822 4.895 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2CC[C@H]1O2 2295578602 AFAKMXGOBFJHMX-BSDSXHPESA-N 281.484 4.802 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@H]1C=CCC1 2295682170 NKAFNELUSHVIAH-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE CC#CCC[C@](C)(CCCCCCCCC)OCCN 2295689496 QWVLGNVYFJYIKG-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCN[C@](C#N)(CSCC1=CCCC1)C[C@H](C)CC 2296282427 WSLHBTQNYYZFAW-NVXWUHKLSA-N 294.508 4.528 30 10 CJEE CCOc1ccc(NC(C)=CC(=O)c2ccc(C)cc2)cc1 2297351349 HVLJMTAVYCRETI-UHFFFAOYSA-N 295.382 4.592 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@H]2C[C@H](SC)C2)C1 2299364836 RJRZQXPKZXPFCX-AJNGGQMLSA-N 251.439 4.628 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1cc(Cl)sc1Cl 2301061957 CRPMJXHEHJIAIB-CYBMUJFWSA-N 290.259 4.997 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1c(C)sc(C)c1C 2304114299 CMHNKTIJBBDMMB-CABCVRRESA-N 252.423 4.699 30 10 CJEE C=CCCCCCCCC[C@@]1(O)C[C@@H]2CC[C@H]1C2 2312118208 WYOOHWSVZNVHJN-IXDOHACOSA-N 250.426 4.844 30 10 CJEE C=CCC(CC=C)O[C@@H](C)C(=O)c1ccc(Cl)s1 2313535418 FUOXXDBFBRJUKU-JTQLQIEISA-N 284.808 4.510 30 10 CJEE C=CC[C@H](C)Sc1ccc(C[C@H](N)CC)cc1Cl 2313638425 KSJNOLCWSTYHAM-WCQYABFASA-N 283.868 4.677 30 10 CJEE C=CCCCCC[C@H](N)c1c(F)ccc(C)c1Cl 2314003872 XJUJXWUUSVPXKV-ZDUSSCGKSA-N 269.791 4.924 30 10 CJEE CN(c1ccccc1Cl)c1cccc(Cl)c1C#N 2317026431 RPSLYRCKJWOEKJ-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1csc(C(C)(C)F)n1 2321179954 NSUUTJGDBBYSLF-AWEZNQCLSA-N 269.385 4.523 30 10 CJEE CCCCCCC[C@H](O)C12CC(CC(F)F)(C1)C2 2321536589 BUBPYKSLLPJSCM-GRTSSRMGSA-N 260.368 4.533 30 10 CJEE CC(C)C[C@@H](CS)COc1ccc(C(C)C)cc1 2328520469 FMWZQLIILWCAJD-CQSZACIVSA-N 266.450 4.781 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CCCC2)CC[C@H]1N 2335190429 ILZYFICSFFEDSH-HZPDHXFCSA-N 279.493 4.681 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)NCCC)cc1F 2335239093 ROLIRPOHOUAYFZ-OLZOCXBDSA-N 281.440 4.943 30 10 CJEE CCCCCCCCCCO[C@H]1CCN[C@]1(C)CC 2336889508 AYYBFZWEMGSZQR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE N#Cc1c(Cl)cccc1OCCCCCC(F)(F)F 2337483583 QMJWSUXPZDPTTN-UHFFFAOYSA-N 291.700 4.713 30 10 CJEE C#CC[C@@H](COCC=C(C)CCCC(C)C)C1CC1 2338525589 XXRMDFCXIYTUPN-SFHVURJKSA-N 262.437 4.825 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccc(F)c(C)c1Cl 2338558502 LMZFROPKKJTKLG-MRXNPFEDSA-N 276.738 4.534 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2339082796 OVGDMRUXYAAWPW-CWRNSKLLSA-N 260.421 4.908 30 10 CJEE CCCCCCCCC[C@](C)(CCSC)OCCN 2340106545 ABFVAPGAZXAOCU-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCCCCCCCCOC[C@@H](O)CCC1CC1 2340857244 VHCGNUUTNXQFGR-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE CC1=C(C)C[C@@H](CNc2cc(C#N)ccc2Cl)CC1 2343471635 UDDQJWOJFCLODM-AWEZNQCLSA-N 274.795 4.760 30 10 CJEE CC(C)[C@H](CS)COCc1cccc(C2CCC2)c1 2343809792 VRXPNTMMLQAKKX-KRWDZBQOSA-N 278.461 4.673 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(F)cc(C(F)F)c1 2344379811 JNZGPLSFWGALON-HIFRSBDPSA-N 271.326 4.756 30 10 CJEE C=CCC(C)(C)[C@@H](CCCC(F)(F)C(F)(F)F)NC 2344383275 ZSOSBFJBHJYHBS-SNVBAGLBSA-N 287.316 4.545 30 10 CJEE Cc1csc(CN(C)CC2(CS)CC(C)(C)C2)c1C 2345008051 JULJEXKOGDBROI-UHFFFAOYSA-N 297.533 4.533 30 10 CJEE CSc1cc(N[C@@]2(C)CCCC[C@@H]2C)ccc1C#N 2353844105 CBNROIDPDJSZBI-LRDDRELGSA-N 274.433 4.661 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@](O)(C1(C#N)CCCCCC1)C2 2354155421 KOXKRTKPPSLAPS-RYRKJORJSA-N 275.436 4.572 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@@H](NCC)c1ccc(CC)cc1 2360206815 BVMDYQNYMJDZKL-HDMKZQKVSA-N 291.504 4.986 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(CNC(C)C)cn1 2360373389 XPGBLMADXARSQT-UHFFFAOYSA-N 290.476 4.501 30 10 CJEE CC(C)c1ccc(C(=O)/C=C/c2ccccc2F)cc1 32115981 UOFDJULCGVAEJJ-VAWYXSNFSA-N 268.331 4.845 30 10 CJEE N#Cc1ccc(NC2CC(c3ccccc3)C2)cc1Cl 36840607 ASHOKZZKAZBJLM-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccccc1Cl 37154813 ZCPRQCGBOGAETE-AAEUAGOBSA-N 265.809 4.905 30 10 CJEE Cc1ccc(F)c(Nc2ccc(C(F)(F)F)cc2C#N)c1 37334004 GBSYTAQZWPNYGC-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 37937891 JYJZMOHMJYGQFL-GUYCJALGSA-N 256.393 4.516 30 10 CJEE N#CCc1ccc(-c2ccccc2F)cc1C(F)(F)F 47205216 GIBLHPCVBMOICX-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1cccc(OCC[C@H](C#N)c2ccccc2Cl)c1 57685273 AAIFKODQPREUGF-CQSZACIVSA-N 285.774 4.725 30 10 CJEE CCCCCCCOc1ccc(CC[C@@H](C)NCC)cc1 59179060 BOPFJYYONXGFJL-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)[C@@H](CC#N)c1ccccc1 62014232 GLFKEDRRYYLJBP-KDOFPFPSSA-N 298.817 4.988 30 10 CJEE N#Cc1cccc(-c2csc(-c3cc(F)cc(F)c3)n2)c1 62938327 HUFWRYZPRXWWCA-UHFFFAOYSA-N 298.317 4.627 30 10 CJEE Cc1ccc(C)c(CSCc2ccc(C#N)cc2)c1 72121262 FXDLWELDMGJNLD-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897419 VXCZPSISEJZCRM-ZDUSSCGKSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C(C)C)cc1OCCCC(C)(C)C#N 87609015 HCVGNBMUESAUOA-UHFFFAOYSA-N 259.393 4.827 30 10 CJEE CCCCCCCCCNCC(C1CC1)C1CC1 91328352 VNTJTUFMALRXIE-UHFFFAOYSA-N 251.458 4.763 30 10 CJEE C=CCCC[C@@H](NCCC)C1CCC(F)(F)CC1 97219841 GQOKYBSMSUJUSR-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCCOc1ccccc1CNCC1CC1 100047247 TZNWMPLOIHRSEQ-UHFFFAOYSA-N 275.436 4.535 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCCOC1 104162031 OZSMSRNNFOFNNK-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE Cc1cc(C)c(C)c(Oc2ccc(C#N)cc2Cl)c1 104171370 RKUFPJVLQGYPGU-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCCCCCOCc1ccc(N)cc1 109685718 JZYRUBZVUOIJOM-UHFFFAOYSA-N 263.425 4.926 30 10 CJEE CCCCCCCCCCCCN(CCN)CC(C)C 110325942 YLMDSXYQNXIOOZ-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1c(F)cccc1Cl)C(C)(C)C 111650400 LFCWEWNPIAZQAS-QWRGUYRKSA-N 295.785 4.728 30 10 CJEE CCCCCCCCCSc1nc2ccc(N)cc2[nH]1 112957293 YEVVRJRULMVFFU-UHFFFAOYSA-N 291.464 4.988 30 10 CJEE CCC[C@@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccccn1 113652237 KTUNRXSJJRQLKH-IRXDYDNUSA-N 298.430 4.645 30 10 CJEE CCCCCCCCCCCC[C@@]1(CO)CCCNC1 116630850 RQUVGKZXFDYIOZ-GOSISDBHSA-N 283.500 4.660 30 10 CJEE CCCCCCCOc1nc(CCC)nc(NCC)c1C 125315993 HTNDHRXSOOONBR-UHFFFAOYSA-N 293.455 4.519 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C1CCC1 126570293 PJTSKQRQFVMUFX-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE C=CC[C@@H](NCCC)c1cc2cccc(Cl)c2o1 128083576 UVBVGVYGOFOMJA-CYBMUJFWSA-N 263.768 4.703 30 10 CJEE N#Cc1ccc(NC2CCC3(CCCC3)CC2)c(F)c1 129452445 MFGVRPVEDNXMMR-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CC(C)(C)OC1(C)C 133251987 SWUTZSZOFFADSY-HZPDHXFCSA-N 283.500 4.919 30 10 CJEE Cc1c(CC2(C#N)CCCCCCC2)cccc1[N+](=O)[O-] 156740500 PGVFVVYQWMJEQZ-UHFFFAOYSA-N 286.375 4.700 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 158339494 ZXRJGIOYLLAPOC-MFKMUULPSA-N 282.309 4.568 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CCCO1)NCC 158953431 YUQZGWOFJIDHLR-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 159766332 CCMNXKDNDIAVLK-CABCVRRESA-N 251.373 4.579 30 10 CJEE CCCCCCCCN[C@H]1CCc2cc(F)ccc21 162575011 YHTVWSFIZFPPHF-KRWDZBQOSA-N 263.400 4.763 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](N)C(C)C 166668321 OJLBQNOJDLYBPM-KRWDZBQOSA-N 269.473 4.850 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cccc(F)c2Cl)C1 166806326 RVHVAWSGJHISIU-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cccc(Cl)c2F)CC1 167059043 CUTZFJZLUGAJRI-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CCC 189909513 KTUXUUITNWVHQT-CQSZACIVSA-N 273.420 4.913 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccccc1Cl 211813121 VXCDFWBGROUOEF-AWEZNQCLSA-N 277.795 4.733 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 226590449 PCDIKLFGBSPSOS-PGUXBMHVSA-N 296.336 4.814 30 10 CJEE CCCCCCCCC[C@H](N)CC1CC(OCC)C1 232178395 SKPQQGKCCNJBLW-CGZBRXJRSA-N 269.473 4.660 30 10 CJEE Cc1cccc(N[C@@H](c2ccccc2)C(C)C)c1C#N 232700766 PWHTXZPCAKCZPS-GOSISDBHSA-N 264.372 4.676 30 10 CJEE c1ccc2c3c([nH]c2c1)C(=NN=C1CCCCC1)CCC3 254430450 VBPZCZLTDJPOQH-UHFFFAOYSA-N 279.387 4.613 30 10 CJEE N#CCCc1ccc2c(ccn2C2CCCCC2)c1 260135434 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54829409 QFGPMADAUDZQFK-IIDMSEBBSA-N 286.419 4.748 30 10 CJEE Cc1cc(C)c(C[C@H](C#N)c2ccc(F)cc2)c(C)c1 57760636 WOYOYGXPUKOCBX-MRXNPFEDSA-N 267.347 4.601 30 10 CJEE CCCCCCCCOc1ccccc1[C@@H](N)CC 59088216 BAEUUVJPSZYSLK-INIZCTEOSA-N 263.425 4.836 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 71159262 XIDQMLOUELDQPD-RHSMWYFYSA-N 270.420 4.868 30 10 CJEE N#C[C@H](CSc1cccc(Cl)c1)c1ccccc1 80800902 IDFZPNGDWDNXHX-CYBMUJFWSA-N 273.788 4.739 30 10 CJEE Cc1cc(OCC(C)C)ccc1C(=O)/C=C/c1ccco1 83192991 IANJWWHRVKHCFN-VQHVLOKHSA-N 284.355 4.519 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)CC1 86942475 ZAXNCTVOVLPYEN-WBVHZDCISA-N 270.420 4.914 30 10 CJEE CC1(C)CC(=O)C=C(Cc2ccc(C(F)(F)F)cc2)C1 87322317 OMHACEIBJOWFCE-UHFFFAOYSA-N 282.305 4.563 30 10 CJEE CCCCOCCC1(C#N)CCC(C(C)C)CC1 87960143 LVQOCCAZIPSPCD-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CC(C)c1ccc(OCC2(CS)CCCC2)cc1 94582590 XMAUNSAXELTAQD-UHFFFAOYSA-N 264.434 4.679 30 10 CJEE CCC[C@H](CS)COc1ccccc1[C@@H](C)CC 94583185 OTPPNHPCTUPANY-KBPBESRZSA-N 266.450 4.925 30 10 CJEE CC(C)c1ccc(SCC2(CS)CCOCC2)cc1 94588792 YMTAHYNBHRFQAS-UHFFFAOYSA-N 296.501 4.629 30 10 CJEE C=CC[C@H](CC)c1ccc(C)c(Br)c1 107497148 RFGQFLDKDFVCLE-NSHDSACASA-N 253.183 4.827 30 10 CJEE CCCCCCCO[C@@H](c1cccc(Cl)c1)[C@H](C)N 109987408 WZCWNMQHZSIASV-XJKSGUPXSA-N 283.843 4.715 30 10 CJEE CC1(CNc2ccc(C(F)(F)F)cc2C#N)CCCC1 111622625 ATELMRMEYFQJMY-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1C(C)(C)C 115235539 ZEHMZHJXDNKVCB-ZWKOTPCHSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC1(c2ccccc2C)CNC1 118885757 FUQMKLFDMYTLPO-UHFFFAOYSA-N 273.464 4.977 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](C)NCCC)cc1 126949654 QOZFVROCOMNQTE-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE CC[C@@](O)(c1ccccc1F)C1(C#N)CCCCCCC1 128823043 BLOJLPDMSNFBAB-GOSISDBHSA-N 289.394 4.678 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H](CCC)OCC 130859301 VTSIJKHYQOAOLM-DLBZAZTESA-N 286.504 4.554 30 10 CJEE C#CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 133978927 OLXVNPNDWLUREI-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@H]1Nc1cc(C#N)ccc1Cl 155993528 PKHFUZJWTPOHDQ-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCCC 156189950 SIZZYSKIRXTOPB-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE O=C(/C=C/c1cccc2cnccc12)c1cc2ccccc2o1 180922599 XZOISKWVCSSFPG-CMDGGOBGSA-N 299.329 4.877 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1OC1CCCC1 185205282 ISHGBIBLGRBGIM-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE O=C(/C=C\c1ccccc1)c1cc(Cl)cc(Cl)c1O 206082267 LSHZXPCSBYGETG-SREVYHEPSA-N 293.149 4.595 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C2CCC(CC)CC2)C1 222798066 YYVUQCBUWYMFGG-DVZRHITQSA-N 290.495 4.996 30 10 CJEE CCCCCCCCNc1nc(N)c(Cl)cc1Cl 226607979 ZSPQBSNUBCGMNT-UHFFFAOYSA-N 290.238 4.743 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C(C)(C)C)n[nH]1 228365793 AUXIVVLHCWPCKZ-UHFFFAOYSA-N 293.455 4.786 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccccc1SC 229756501 VUOHXYIGJPIZDL-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE Cc1cc(C)nc(SC[C@@H](CS)c2ccccc2)c1 229876589 DIKKGEKTMCIUIT-OAHLLOKOSA-N 289.469 4.504 30 10 CJEE Fc1c(Cl)cc(NCC#Cc2ccccc2)cc1Cl 232035210 XEHKLYFZEPPICE-UHFFFAOYSA-N 294.156 4.596 30 10 CJEE C=CCCCCCC(=O)c1ccccc1Br 232483842 NQECCEARXPNIOJ-UHFFFAOYSA-N 281.193 4.768 30 10 CJEE C=CCCCCC[C@]1(C(=O)O)CCC[C@@H](CC)C1 233916413 HGPVOQVXSZTIDA-ZBFHGGJFSA-N 252.398 4.794 30 10 CJEE C[C@@H]1CC[C@H](CNc2ccc(C#N)c3ccccc23)C1 235377269 PFQBVXMLZJBZHO-KGLIPLIRSA-N 264.372 4.560 30 10 CJEE O=C(C1=CCCCCC1)c1c(Cl)ccc(F)c1F 302498130 KOJHZQXEVNKGRE-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE CC(C)c1ccc([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 306675420 SMDVGLDQWSPZGW-CVEARBPZSA-N 286.224 4.760 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@](C)(O)c2ccc(Cl)c(Cl)c2)C1 307891993 KPKJQZPDQSMAFG-KMUNFCNLSA-N 298.213 4.531 30 10 CJEE C=CCCCCCCNc1ccc(C#N)cc1Cl 310844226 BSVMEKFPMKNILK-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE C=CCCCCNCc1cc(-c2ccccc2)cs1 312020388 WBGMHIZNRGPFEZ-UHFFFAOYSA-N 271.429 4.861 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(C)c(F)c1 312102898 IMSCMRFAVBFBFW-OAHLLOKOSA-N 263.400 4.921 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2 312252788 WTWZWRWVKIFWMI-XSLAGTTESA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cn(CC)cn1 312583848 UFBAWVPNEWXACD-INIZCTEOSA-N 279.472 4.694 30 10 CJEE C[C@@H]1CC[C@@](CC#CC(C)(C)C)(CNC(C)(C)C)C1 317976463 HIKBDBCAFXRCAR-CRAIPNDOSA-N 263.469 4.621 30 10 CJEE C=CCCCC1(CNC(C)(C)C)CCC(C)CC1 318536034 JUNIAVCXQIMGSQ-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1cccc(Br)c1 319652469 DPWFLUQEGPZOSJ-WDMOLILDSA-N 280.209 4.738 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H]2CCCCC23CCCC3)N1 380515807 HMORIQDCLUYWKE-GDBMZVCRSA-N 294.508 4.741 30 10 CJEE C=CCSC[C@@H](NC)c1ccc(-c2ccccc2)cc1 383303665 DCBOILRQRVCASF-GOSISDBHSA-N 283.440 4.533 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1CC(F)(F)C1 383479710 UDVFXEKBQWMQKT-CQSZACIVSA-N 259.384 4.536 30 10 CJEE COc1ccc(SC[C@@H](C#N)C2CCCCC2)cc1 397121480 ILOLDONMVWSGGZ-CQSZACIVSA-N 275.417 4.507 30 10 CJEE CCC[C@H]1CCCN(C[C@H](C#N)C2CCCCC2)CC1 397330878 SSOAJSLSQMEEHY-WMZOPIPTSA-N 276.468 4.609 30 10 CJEE CCCOc1ccccc1N[C@@H](C)c1ccc(C#N)cc1F 512290214 XUDOFTJNNWWWBE-ZDUSSCGKSA-N 298.361 4.659 30 10 CJEE N#CCc1cc(Cl)nc(-c2c(Cl)cccc2Cl)c1 514262820 OHMDGKKZVOJYSM-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE N#CCc1cc(F)cc(-c2cccc(Cl)c2Cl)c1 514262821 OJDBMPOKNNMLJO-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(SC)c1 687006203 ICYKCYCFHGKFBS-INIZCTEOSA-N 280.481 4.664 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccsc1Cl 687992341 JTMMHDYZWMQHMR-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE CCCCCCCC[C@H](NN)C(CC)(CC)C(F)(F)F 690215767 NJEXKOXQZQEEOO-ZDUSSCGKSA-N 296.421 4.938 30 10 CJEE N#Cc1ccc(Nc2ccc(C3CCC3)cc2)c(F)c1 690283774 QGZIOWBLKIQJPG-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3CCC[C@@H]4C[C@H]43)n2)c1 691699700 MFATXGVIMIVJKJ-BPLDGKMQSA-N 280.396 4.585 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](OC)C1CCC1 692713240 MVOQLBILBVIMME-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCSc1cccc(N2CCC[C@@H](C(C)C)C2)c1C#N 694407201 VPSOONVGJSHREM-CQSZACIVSA-N 288.460 4.543 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2cscc2s1 694425946 MNJFCNYIBQZEND-GFCCVEGCSA-N 265.447 4.970 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3ccccc3C)C[C@@H](C1)C2 697306813 MEINXAZQFYSRHK-HRBLRVMOSA-N 269.432 4.781 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)CCCC(C)C)C[C@@H](C1)C2 697307692 XRMRZHVSGPKNOK-HRBLRVMOSA-N 263.469 4.926 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC34CCCCC4)C[C@@H](C1)C2 703219941 XOSSVVFCFJRMKM-WFFDWFOESA-N 273.464 4.824 30 10 CJEE C=CCCC(C)(C)CN[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 704020746 BAHZTQRJJBQLOH-RLFYNMQTSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@@]1(N)CC(C)(C)OC1(C)C 704432732 JLMXHOYPTDAQMZ-QGZVFWFLSA-N 269.473 4.802 30 10 CJEE CC#CCC[C@@H](C[C@H](CC)C(C)(C)C)NCCC 711200990 WQUWJOZSZGWRBO-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CC1CCC2(CC1)CS/C(=N/[C@H](C)CC1CCCC1)N2 712595398 CQJVPULPOPIJIA-XOYHFGRZSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1NC[C@H](C#N)C1CCCCC1 717505414 XFPBKELIYFCDQK-HYVNUMGLSA-N 276.468 4.511 30 10 CJEE CCCCCCCC[C@]1(CNCCC)C[C@@H](C)CO1 718424704 DMEUUBRVQYUSPO-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CN(CCCCCCCCCS)C1(C)CCCC1 720688452 FMYYFJLIARHMGB-UHFFFAOYSA-N 271.514 4.911 30 10 CJEE C=C1CCC(CN[C@@H](C)C2CCC(F)(F)CC2)CC1 724544970 NCHHUHWUZOIWKM-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE C=C1CCC(CNc2cccc3c2CCCC3)CC1 724550362 PYXYNBWAPQJRDY-UHFFFAOYSA-N 255.405 4.724 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2C(=O)O)CC1 724598006 FPTNEPFVPLEDRM-ZACQAIPSSA-N 278.436 4.896 30 10 CJEE N#Cc1cc2ccc(C(F)F)c(C(F)(F)F)c2s1 725276887 HSERGYVDSNKNQT-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE Cc1cc(C(=O)/C=C/c2coc3ccccc23)oc1C 799895723 CXQQPCSSYNBYGC-BQYQJAHWSA-N 266.296 4.539 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc(C(C)(C)C)oc1C 1132193086 GALDQMBETITWSW-UHFFFAOYSA-N 291.435 4.608 30 10 CJEE C=C(C)c1cccc(NCc2cc3ccncc3s2)c1 1179747971 SZCFMNZXJYNBII-UHFFFAOYSA-N 280.396 4.942 30 10 CJEE C=CCC[C@H](CC)NCCc1c[nH]c2c(Cl)cccc12 1183171285 RDUPMDAHUIGBJX-AWEZNQCLSA-N 290.838 4.698 30 10 CJEE C=CCC(C)(C)CNCc1ccccc1OC1CCCC1 1202554665 NSIWBAVEHURFLA-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE C#C[C@H](NCC[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 1206085428 XATDNBXJBYQHIJ-BEFAXECRSA-N 297.829 4.798 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1264225058 BNWUUBPQBSUMLE-OAHLLOKOSA-N 287.447 4.545 30 10 CJEE C=C(CC)CN1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C 1308097386 FUDYSNRZAKLHJA-CYBMUJFWSA-N 297.364 4.638 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1csc(Cl)c1 1353386208 BHAJAINEMPMACX-UHFFFAOYSA-N 297.851 4.610 30 10 CJEE C=CC1CCN(C2c3ccccc3-c3ccccc32)CC1 1459485039 FNCKVGLTTNFFBC-UHFFFAOYSA-N 275.395 4.654 30 10 CJEE C=CC[C@H](C(=O)N1CCCCCCCC1)c1ccccc1 1460127660 CIFYIKQQKKRDFE-SFHVURJKSA-N 285.431 4.529 30 10 CJEE C#CCCCCCC(=O)N(c1ccc(CC)cc1)C(C)C 1460678870 WAYFTTCJLQXGPQ-UHFFFAOYSA-N 285.431 4.574 30 10 CJEE C=CCC[C@@H](CC)Nc1cccc(OC)c1Br 1462129134 SHDWPPRUGFPFAH-LLVKDONJSA-N 298.224 4.614 30 10 CJEE C=CCCCCCN1CCC[C@]1(C)Cc1cccc(F)c1 1473575814 JWPGQRWZCCBVIG-LJQANCHMSA-N 289.438 4.969 30 10 CJEE 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289.463 4.766 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C)nc(C2CCC2)n1 1612604077 JZRSBCXSFIDDSI-ZBFHGGJFSA-N 285.435 4.599 30 10 CJEE C=CCCCCCN1CCc2c(F)cc(F)cc2[C@@H]1C 1616333358 YHYRHYFMFVFGOG-ZDUSSCGKSA-N 279.374 4.630 30 10 CJEE C=C1CCC(CNC/C=C\c2cc(C)c(C)cc2C)CC1 1621061238 FEYCGAPGARSWDA-WAYWQWQTSA-N 283.459 4.961 30 10 CJEE C=CC(C)(C)NC(=O)Nc1cccc(Oc2ccccc2)c1 1622973565 QQBYMDBFRCQZFM-UHFFFAOYSA-N 296.370 4.565 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@@H](C)Sc2ccccc21 1624957237 TUCHUNQIJSFJOF-CQSZACIVSA-N 289.444 4.506 30 10 CJEE C=CCCC[C@@H](NC(=O)CCC(C)C)c1ccccc1 1625196563 DZXCZDQKYPLUPW-QGZVFWFLSA-N 273.420 4.636 30 10 CJEE C#CCCCCCCN(c1ccc(C)cc1)C(C)C 1642148259 PBWAEBIJGJDRQA-UHFFFAOYSA-N 257.421 4.794 30 10 CJEE C=CCCC1(CNc2cccc(F)c2C#N)CCCC1 1651237127 HSLABNNVVGIAOM-UHFFFAOYSA-N 272.367 4.636 30 10 CJEE C=CCC[C@@H](CCC)NCc1cscc1Cl 1653111708 SKEQZEGYRHWATN-GFCCVEGCSA-N 257.830 4.626 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C(C)=CCC[C@@H]1C 1657255127 BFFFYTQNSWCXHC-FXAWDEMLSA-N 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N#Cc1ccc(OCC2CCCCCCC2)cc1Cl 2342893884 OBQHRIOIGLORQY-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE C#Cc1c(F)cc(NCCCCCC(C)C)cc1F 2344172742 AIWWRPYXVNYHFS-UHFFFAOYSA-N 265.347 4.574 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@]12CCC[C@@H]1C2)NCC 2344342554 KWYPSHLHFUUAIE-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCCC[C@H]1C2)NCC 2344342950 MMHLRUHPLCUKPV-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)C(=O)c1cccc2c1CC(C)(C)C2 2344422243 XCFGRRDOMGDQJW-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE CC1(C)CC[C@H](CCOc2ccc(C#N)c(Cl)c2)C1 2344883009 SHBXMDVMIJSSNZ-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CC(C)CCN(CC(C)C)CC1(CS)CC(C)(C)C1 2345010103 JPTZTTJZZIXZMH-UHFFFAOYSA-N 285.541 4.727 30 10 CJEE CC[C@]1(C)CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352172912 BVHCTQCDAMGOOW-IAGOWNOFSA-N 285.541 4.871 30 10 CJEE Cc1cc(Cl)c(C#CCCCCCCCO)cc1Cl 2353002315 QMKVSNFQJGHTLQ-UHFFFAOYSA-N 299.241 4.986 30 10 CJEE CC(C)C[C@H](CS)CN1CCC[C@H]1C1CCCCC1 2353830720 FGSPEZOLKGYFLG-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2C[C@H]3CC[C@@H]2O3)C1 2354994797 JIQUJNCYMVMFTC-ZNMIVQPWSA-N 275.436 4.690 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](O)[C@@H]1C[C@H]1CC 2357641233 BUXIIEFOJHKBFX-BRSBDYLESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2358323723 VZWIDTHDAFFWPH-APAFKAMOSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC[C@@H]1C[C@@H]1C)NCC 2358712339 BWGHJHOIVYHEOZ-BSDSXHPESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)OCCCN 2360040552 LHRCZPOSVWLSIW-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)Sc1cc(C)cc(F)c1C[C@@H](C)N 2360206782 BNTXJJFFSPJJJH-CYBMUJFWSA-N 293.451 4.637 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@@H](NCCC)c1ccc(F)cc1 2360206888 CXAXNEZVKHYPRP-JJRVBVJISA-N 295.467 4.953 30 10 CJEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1ccccc1 37089341 ZRJVMXOCKYPNMI-INIZCTEOSA-N 268.335 4.569 30 10 CJEE N#Cc1cc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1Cl 37282070 CUYYOHHXVRLOCX-GUTXKFCHSA-N 288.822 4.982 30 10 CJEE Cc1ccccc1OCCCC[C@H](C#N)c1ccccc1 57684435 HBCZYKBYKIKVRQ-GOSISDBHSA-N 279.383 4.852 30 10 CJEE N#Cc1cccc(C[C@@H](C#N)c2cccc3ccccc23)c1 57756922 PTLQITPSUJIOBW-SFHVURJKSA-N 282.346 4.561 30 10 CJEE CCc1cc(C[C@H](C#N)c2ccccc2Cl)ccc1OC 57762421 NAWBVJRFMRYOGM-OAHLLOKOSA-N 299.801 4.761 30 10 CJEE CCCCCCCCCNCCCN(C)c1ccccc1 59088751 RFUJTCCCMPSXDU-UHFFFAOYSA-N 290.495 4.853 30 10 CJEE CCCCCCCOc1cccc([C@H](C)NCC)c1 59179101 JMGWTTULBPOUOV-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE CCCOc1ccccc1Oc1ccc(C#N)c(Cl)c1 61851338 YIZIGOGQVAQBBI-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1cccc(Cl)c1C#N 70144727 BWTDHSBJRGGKHZ-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE CC(C)(C)c1ccc(-c2nc(C3CC3)c(C#N)s2)cc1 82436737 MWXSWGKRZSGKHJ-UHFFFAOYSA-N 282.412 4.857 30 10 CJEE Cc1ccsc1/C=C/C(=O)c1ccc2c(c1)CCCC2 83194132 GCZSBCXQPXRZKN-CMDGGOBGSA-N 282.408 4.831 30 10 CJEE Cc1cc(Cl)c(C(=O)/C=C/c2ccccc2)cc1C 83204285 JZMBIBJMDDQSOZ-CMDGGOBGSA-N 270.759 4.853 30 10 CJEE C=CCCCC(C)(C)[C@H]1CC[C@H](C)C[C@H]1NCC 85157173 ABJQNFUPGHQIMO-HRCADAONSA-N 251.458 4.783 30 10 CJEE N#CCC1(CNc2ccccc2Oc2ccccc2)CC1 88249411 WTZDRKDIDWXFJQ-UHFFFAOYSA-N 278.355 4.585 30 10 CJEE CC[C@H]1CCCN(CC2(CS)CCCCCC2)CC1 94581747 ROBICHYXGABEKO-INIZCTEOSA-N 283.525 4.769 30 10 CJEE CCc1ccc(C(C)(C)C)cc1[C@H](C)CCS 107525923 JPKBBTBQHLJFRR-GFCCVEGCSA-N 250.451 4.970 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(OC)cc1OC 109965953 MPIQVZWQXWKINS-HNNXBMFYSA-N 293.451 4.542 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NCC1(C)C 115222512 YRPJAAWGZYRARJ-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2cc(C)ccc2o1 122286878 VIFQUFONTBGDNM-OAHLLOKOSA-N 274.408 4.606 30 10 CJEE CC#CCC[C@H](C[C@@H](C)CC(C)(C)C)NCCC 124768026 DDPMOKIDTYTQFO-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCCNc1nc(C)cc(C)n1 124880977 YCALVYWUGGBGKD-UHFFFAOYSA-N 263.429 4.646 30 10 CJEE CCCCCCCCCCCCn1ccnc1C#N 126820817 WIUVEAHRRGWHMH-UHFFFAOYSA-N 261.413 4.676 30 10 CJEE CCCNC/C(=C/c1ccc(C#N)cc1)C1CCCCC1 127609298 QNECLWVLSDDPQS-UYRXBGFRSA-N 282.431 4.522 30 10 CJEE CCCCCCCCCCNc1cc(CC)nc(C)n1 129401259 DZDJRCVMFQEZEV-UHFFFAOYSA-N 277.456 4.900 30 10 CJEE CCCCCCCC[C@H](NCC)c1cc(C)nnc1CC 140343920 AJSSQBBXKCNKHF-SFHVURJKSA-N 291.483 4.749 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CC)[C@@H]1CN 157152352 JVNATGSHAKFGDL-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCOc1ccc(N)cc1C(C)=O 157860792 NHCWFWAGCMSKEP-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CC[C@H]1CCCC[C@]1(O)C1(C#N)CCCCCCC1 158996555 ZVANMZSRXVWQMF-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CCCCCCC[C@H](NC)C1(OC)CCC(C)CC1 159886766 CHHXIWWWLCIHMD-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE Cc1cc(C#N)ccc1CN(C)[C@H](C)c1ccc(Cl)cc1 165475885 GAOKTBMQXVLPRQ-CQSZACIVSA-N 298.817 4.713 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C)c(Cl)c1 167746102 HPPKNAFXHISBGH-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC)c(Cl)c1OC 224583869 XDRYJMRWAZXKMQ-ZDUSSCGKSA-N 299.842 4.718 30 10 CJEE CC(C)(C#N)CCCCNc1cccc2ccccc12 232515420 DGFWQCBKRPRJDX-UHFFFAOYSA-N 266.388 4.972 30 10 CJEE C=CCCCCC[C@H](CSc1ccc(C)cc1)NC 234448881 XQVGRMXJOSENAC-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE CCCCCCCCCCN1C[C@H]2CCCN2C[C@H]1CC 250803781 DTJPXWOJNITFJT-RTBURBONSA-N 294.527 4.686 30 10 CJEE CCCCCCCCCCN1C[C@H](CCC)NCC[C@H]1C 250833923 SPVGGQQRMQITNS-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCOc1ccc(N=Cc2ccc3ccccc3c2)cc1 252462288 RGFMMCKCVLIZTO-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE CC(CCc1ccc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1)=NO 252472982 RTGIWGGSSYEONK-UOIKSKOESA-N 289.419 4.673 30 10 CJEE CSc1cccc(N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 252818859 MHXIWFYBEXYIEW-ZOBORPQBSA-N 286.444 4.517 30 10 CJEE Clc1ccc(N=Cc2cccs2)cc1Cl 254301852 JTCHIHMXQKRIMK-UHFFFAOYSA-N 256.157 4.806 30 10 CJEE CCCCCCc1cc2c(s1)CCCCC2=NO 254493465 SRUCTOBEZMNROB-UHFFFAOYSA-N 265.422 4.776 30 10 CJEE Cc1cc(C[C@H](C)C#N)cc(C)c1OCc1ccccc1 260272846 CACWDKKMUKXWIE-AWEZNQCLSA-N 279.383 4.585 30 10 CJEE CC[C@H](C)C[S@](=O)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 300450834 ZRPCURLDPVQLSV-BUZFHVMYSA-N 297.508 4.526 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](C)CSC 302345947 FMQFLNFLJBGUAT-CABCVRRESA-N 259.503 4.714 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccccc1Br 304559792 VPYMWSCUFJUTCM-AAEUAGOBSA-N 280.209 4.738 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H](CC)CC(C)C 308095384 LVXPSZLRTHQZKR-SJORKVTESA-N 265.485 4.867 30 10 CJEE C=CCCCOc1cc(C)c(Br)c(C)c1C 309310072 DXFARIWYBNUSKA-UHFFFAOYSA-N 283.209 4.719 30 10 CJEE CC(C)(C)C(C)(C)CNc1cc(Cl)ccc1C#N 311180325 XIOYINJREDWFRM-UHFFFAOYSA-N 264.800 4.696 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccsn1 312036316 PBZOJDTVQFOEGL-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE Cc1cccc(N[C@H](C#N)C2CCC(C(C)C)CC2)c1 312325058 YJASPTFPOHPGAE-LEOMRAHMSA-N 270.420 4.762 30 10 CJEE C=C(CC)CN[C@@H](C)c1oc2ccccc2c1CC 313491870 BIYKSKLMMIJXSJ-ZDUSSCGKSA-N 257.377 4.612 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C=O)CCc2ccccc2C1 316677622 BHDZAWFAFMLROM-ATZDWAIDSA-N 270.416 4.577 30 10 CJEE C#C[C@@H](Nc1ccc(CCCC)cc1)c1ccccc1 378770899 WQMUCXOJXLJYJW-LJQANCHMSA-N 263.384 4.816 30 10 CJEE C=CCS[C@H]1CCCCCCCCCC[C@H]1N 383170742 NSOQWHBBCGTLTR-CABCVRRESA-N 255.471 4.516 30 10 CJEE C[C@H](C1CC1)N(Cc1ccccc1)[C@H]1CCCCC[C@@H]1C#N 385960220 XEYKGBYHSAUIFT-AHRSYUTCSA-N 296.458 4.760 30 10 CJEE CC[C@@H](CC#N)Sc1cc(Cl)cc(Cl)c1 389648521 UTTIJKKNJBPBKJ-JTQLQIEISA-N 260.189 4.778 30 10 CJEE C=CCCCC[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 390800704 OMZUKHKNGHDLSK-CABCVRRESA-N 281.440 4.816 30 10 CJEE C=CCC(C)(C)COCC(=O)c1ccc(C(C)C)cc1 393177418 JVADLIVJKCMHMV-UHFFFAOYSA-N 274.404 4.612 30 10 CJEE CC(C)(C)[C@H](CS)CSc1ccc2ccccc2n1 394084913 MWHKTSAJENQLMY-CYBMUJFWSA-N 291.485 4.919 30 10 CJEE CC(C)CCN(C[C@H](C#N)C1CCCC1)C1CCCC1 397127501 NOKVFLBYSXUGQD-KRWDZBQOSA-N 276.468 4.607 30 10 CJEE CCCCCCCCC[C@](C)(F)C1CCNCC1 400515287 MUMMIQVVUCEONF-INIZCTEOSA-N 257.437 4.855 30 10 CJEE C[C@H](N[C@H](C)[C@H](C)c1ccccc1)c1ccc(C#N)cc1F 512612643 PRNYEGZHOWCJSF-ZNMIVQPWSA-N 296.389 4.540 30 10 CJEE C#CCCCCCNc1cc(F)c(Br)cc1C 686677496 KEQFUNUDDMJYNB-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE CCCCCCC/N=C1/NC2(CCCCC2)CCS1 687319596 BUSNILCEURDJPS-UHFFFAOYSA-N 282.497 4.742 30 10 CJEE CC[C@H]1CCCCC[C@]1(C#N)Nc1ccccc1C 691072823 DIOIBBMVKBNPQG-DOTOQJQBSA-N 256.393 4.660 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(F)cc1N 692241955 VNNYMORPNNDFKO-YGRLFVJLSA-N 282.790 4.608 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncccc1C(F)(F)F 692249985 BJVMYNLIKCQRQH-WCQYABFASA-N 284.325 4.647 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccc1C 692271665 JDZBALUQSLBBCF-JFIYKMOQSA-N 257.421 4.781 30 10 CJEE CC(C)[C@H]1CCCN(CC2(CS)CCCCCC2)C1 694442697 NHXGVNMMWZPACR-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@](C)(N)C1CC1 695770479 BOXBEZCACBYYRB-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE C=CCC1(NCC(C)(C)C(F)(F)CC)CCCC1 700743977 SUZSRKPYKDJPNK-UHFFFAOYSA-N 259.384 4.536 30 10 CJEE CCCCCCCN[C@@H]1c2ccccc2CC1(C)C 703770054 GELIKGGWVZHDTD-QGZVFWFLSA-N 259.437 4.870 30 10 CJEE C=CCCC(C)(C)CNc1nc(Cl)nc2ccsc12 709449324 RMSAYMCCJZBMAX-UHFFFAOYSA-N 295.839 4.749 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 710641167 LLYUGEKTPBTIKR-KBPBESRZSA-N 271.876 4.960 30 10 CJEE C=CC[C@H](C)Oc1ccc2ccccc2c1Br 715762196 YUTFIDJGNWGBOY-NSHDSACASA-N 291.188 4.946 30 10 CJEE C=CC[C@H](C)[C@@H](CSc1ccc(Cl)cc1)NCC 715799864 PWNNQXYYFLAWBE-SWLSCSKDSA-N 283.868 4.622 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2C[C@H]3CC[C@H]2C3)NCC)CC1 724581588 CKXVBHKUCKIFHV-OKYOBFRVSA-N 275.480 4.927 30 10 CJEE C[C@@H]1CCCCC[C@@H]1/N=C1/N[C@H](C2CCCC2)CCS1 725079379 AITIFKHRHVGFAL-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE CC/C(=N\OCc1ccccc1F)c1ccc(C)c(C)c1 821218517 VVFMAJFAMCDEBI-CZIZESTLSA-N 285.362 4.773 30 10 CJEE C[C@H]1CC[C@H](c2ccccc2)N(c2cccc(F)c2C#N)C1 1163265174 FTPYTDIIBIEFLK-KBXCAEBGSA-N 294.373 4.675 30 10 CJEE C=CCCC1(CNc2c(F)cccc2[N+](=O)[O-])CCCC1 1163715959 VMJKHQULCHRCFQ-UHFFFAOYSA-N 292.354 4.672 30 10 CJEE C#CCCCCCCN(Cc1cccs1)C(C)C 1167193484 XRLIMNGZCDLILL-UHFFFAOYSA-N 263.450 4.542 30 10 CJEE C=CCCc1ccccc1NCc1cccc(F)c1 1202126212 GWJKMFOZDBXBEH-UHFFFAOYSA-N 255.336 4.556 30 10 CJEE C#CCC1(NCc2cccc(-c3ccccc3C)c2)CCC1 1203783612 YMJQOGKIRBFUNF-UHFFFAOYSA-N 289.422 4.698 30 10 CJEE C=CCC(CC=C)Oc1ccc(Cl)c(F)c1F 1234937966 QTOJHZYUTIZTMD-UHFFFAOYSA-N 258.695 4.518 30 10 CJEE C=C(C)c1cccc(NC(=O)/C(C)=C/c2ccc(F)cc2)c1 1289566813 FNAYLSZEHMRMCM-SDNWHVSQSA-N 295.357 4.901 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)cc(Cl)c1 1355416388 HMGAIUFATJYEOY-SECBINFHSA-N 272.175 4.534 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 1357219603 LZZGKOUXPKNMJM-GOSISDBHSA-N 297.373 4.593 30 10 CJEE CCCCCCCCCCNC(=O)[C@@H]1CCC1(C)C 1435485885 WXLCKEFXKMLTOC-HNNXBMFYSA-N 267.457 4.680 30 10 CJEE C=CCC1(C(=O)NCc2ccc(C(C)(C)CC)cc2)CCC1 1435633227 WFVYCQIHEMATEY-UHFFFAOYSA-N 299.458 4.737 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](CCC=C)c1ccccc1 1435671492 UOMRQCDJYAYAJX-FUHWJXTLSA-N 285.431 4.597 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C2CCC2)cc1 1436190536 NZHLWIXZIHJWSI-UHFFFAOYSA-N 285.431 4.820 30 10 CJEE C=CCOc1ccccc1CNC1CCC2(CCCC2)CC1 1461204256 NCPWADMYNHZNEQ-UHFFFAOYSA-N 299.458 4.844 30 10 CJEE C=CCC[C@H](C)Nc1cccc(Cl)c1OCC(F)F 1462291652 FEEPGJCGCWPTON-JTQLQIEISA-N 289.753 4.751 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)C1CCC1)c1ccccc1 1462545748 AZXMYBBWKZTFIP-MAUKXSAKSA-N 257.421 4.862 30 10 CJEE C=CCCC[C@H](Nc1cc(C)nc(C)n1)c1ccccc1 1472866018 NSXFMGVUAGBCQL-KRWDZBQOSA-N 281.403 4.603 30 10 CJEE C=CCCCCCN1CCC[C@H]1CCc1ccccc1 1473112566 PRZCSUPCIAFLMK-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C#Cc1cccc(N[C@@H](CC)Cc2ccc(Cl)cc2)c1 1474423307 ATXMVGRRBSSBDH-KRWDZBQOSA-N 283.802 4.755 30 10 CJEE C#CCC1(C(=O)NC[C@@H](CCC)CCCC)CCCCC1 1517872757 FNJXGMPCKOHPBE-KRWDZBQOSA-N 291.479 4.683 30 10 CJEE C=CCC[C@H](C(=O)N(C)[C@H]1CCC(C)(C)C1)c1ccccc1 1520317781 NOQMVNGHQGNBRT-ROUUACIJSA-N 299.458 4.774 30 10 CJEE C=CC[C@H]1N(C(=O)C2CCCCCC2)CCCC1(C)C 1538657702 QCWKXFQKVHEULN-MRXNPFEDSA-N 277.452 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 1539557647 CRGIFMPNRYZMGT-IRXDYDNUSA-N 283.415 4.875 30 10 CJEE C=CC(C)(C)CNC(=O)C1(c2ccccc2)CCCCCC1 1540115944 YLHHRXYMOOZXPA-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=C[C@H](C(=O)Nc1cccc(SC)c1C)c1ccccc1 1546252267 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C=CCn1ncc2ccc(N[C@H](C)[C@@H]3CCCC[C@H]3C)cc21 1665790561 UJWPQQABGWNQHH-IIDMSEBBSA-N 297.446 4.849 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccc(CCC(C)C)cc1 1673993361 YNALWPOONWXANM-UHFFFAOYSA-N 288.435 4.609 30 10 CJEE CCCCC[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1 1879222146 HIARIABAGHMQFX-YOEHRIQHSA-N 258.409 4.568 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@H](c2cccs2)CS1 1879339363 QUQQEVKGJCPOFA-OLZOCXBDSA-N 296.505 4.841 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1CC(C2CC2)C1 1881774168 JLGNPVLNCHWELI-UHFFFAOYSA-N 269.432 4.501 30 10 CJEE CC[C@@H]1CCCC[C@H]1N(CC#N)C1CCCCCC1 1883269618 NZWPEAQMAJWAJU-NVXWUHKLSA-N 262.441 4.504 30 10 CJEE C=C1CCC(CN(C)[C@@H](C)C[C@@H](C)C(F)(F)F)CC1 1884401202 ZTDABGKKUGPKOR-OLZOCXBDSA-N 277.374 4.642 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1CC[C@H](C)O1 1885327067 HOBKENKRELHTKW-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE C=C1CCC(C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 1886402210 ITGVFHIGYKKEDU-KBPBESRZSA-N 276.342 4.607 30 10 CJEE CCCCCCCCN(C)c1ccc(Cl)cc1CN 1887154282 SZVBREXEWCKWJV-UHFFFAOYSA-N 282.859 4.595 30 10 CJEE C#CC[C@@H](C)CN(C)Cc1sc2ccccc2c1Cl 1887228324 PHVWKODZOPLXKL-GFCCVEGCSA-N 291.847 4.646 30 10 CJEE C=C(c1ccccc1)[C@H](CS[C@@H](C)CC)NCCC 1888704651 AZYOSGQTTIAFAJ-YOEHRIQHSA-N 277.477 4.600 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(F)c1OC 1892454105 SYEVTVHXXJQJMB-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE C=CCC[C@H](C)c1ccc(F)cc1Br 1895478355 KZBCCXNWERXHRG-VIFPVBQESA-N 257.146 4.658 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@@H]1C1CCCC1 1898931447 GWNWIKKVWNRGGB-VQTJNVASSA-N 283.459 4.891 30 10 CJEE C[Si](C)(C)C#CCNc1cccc(-c2ccccc2)c1 1916215048 TXDYETDBZYBHAA-UHFFFAOYSA-N 279.459 4.646 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc2ncccc12 1919873359 WVYOTLMQOWCEKQ-GOSISDBHSA-N 271.404 4.803 30 10 CJEE CCCCCCC[C@@](O)(CC)c1ccc(F)cc1 1919936067 WPTBHYOMVMCIDO-INIZCTEOSA-N 252.373 4.784 30 10 CJEE C=CCOc1ccc([C@H](O)[C@@H]2CCCC[C@@H]2CC)cc1 1920027775 XTOSSKGCDCJBES-QGTPRVQTSA-N 274.404 4.501 30 10 CJEE C=C([C@H](NC)[C@@H]1CCC[C@@H]2CCCC[C@H]21)[Si](C)(C)C 1923045566 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251.458 4.929 30 10 CJEE C=CCCCCCCN[C@H](C(F)F)C1CCCC1 2085847479 PTSAHECVGFWTLU-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=CCCCCCC[C@@H](O)C1(CC(F)(F)F)CC1 2085848121 WNTVDIWZWHMMEP-GFCCVEGCSA-N 264.331 4.607 30 10 CJEE C=CCCCCCC[C@@]1(C(=O)O)CCCC1(C)C 2085923586 FTUIIBJUPQPCBK-INIZCTEOSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CSC[C@@H]1C 2086261263 JEYAXDJFSBLFDG-JKSUJKDBSA-N 270.482 4.797 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C1[C@H](C)[C@H]1C 2086264668 WHJIFXPVSXGHNT-BZUAXINKSA-N 251.458 4.913 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@H]2NCC[C@H]2C1 2087694845 HMVBJWUANOZBSM-BBWFWOEESA-N 269.448 4.997 30 10 CJEE CCCCCC(C)(C)CN=C1N[C@](C)(CCC)CS1 2090411100 FNSJEHKBGIIOED-MRXNPFEDSA-N 284.513 4.844 30 10 CJEE FC(F)(F)[C@@H]1CCC[C@H](CC[C@@H]2CCC[C@@H]3O[C@H]23)C1 2096793929 QSIHZZVJWBRYSW-XHJNMGKDSA-N 276.342 4.703 30 10 CJEE C=C([C@@H](NCCC)c1ncsc1C1CC1)C(C)(C)C 2100176659 AWSUAMXOFCGOPV-CYBMUJFWSA-N 278.465 4.664 30 10 CJEE N#Cc1cc(NC[C@H]2CC23CCCCC3)ccc1Cl 2100526563 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C=CCCCCCCC[C@H](NC)[C@H](O)c1sccc1C 2235541858 MBXAEHALPAFFIR-HOTGVXAUSA-N 295.492 4.595 30 10 CJEE C=CCCCCCCCN(C)Cc1ccccc1OC 2235541927 MSUXVINRGFHNFE-UHFFFAOYSA-N 275.436 4.654 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCCC[C@@H]1C(F)(F)F 2238716558 XTSJUFPBSKZTIT-KBPBESRZSA-N 289.385 4.527 30 10 CJEE C[C@H]1CC[C@@](C)(C(=O)C#Cc2cccc(Cl)c2)C1(C)C 2239463365 SHAIPLHUVOGNIW-UGSOOPFHSA-N 288.818 4.723 30 10 CJEE C=C[C@H](CCCCC)OCC1(CN[C@@H](C)CC)CCC1 2239490651 SSUYDFBBZVUWLZ-DLBZAZTESA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCOC[C@H]1CC[C@H]1CNC 2239557483 VKGWDTZZJNWMQF-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE C=C[C@@H](CCCCC)OCCC(=O)c1ccc(F)cc1 2239563527 RORGIFKAHIHBQJ-INIZCTEOSA-N 278.367 4.550 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H]1CSc2ccccc21 2240096991 VTFSWIITOUUEDI-JYJNAYRXSA-N 289.488 4.846 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CCC1(F)CCC1 2240640525 RBTHUGVVDKRECK-INIZCTEOSA-N 286.431 4.730 30 10 CJEE CCCCCCCC[C@@H](C)Nc1ccccc1CCO 2240645342 STNGUQGXYYHAQX-MRXNPFEDSA-N 277.452 4.772 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccc3cc(C)ccc3n2)C1 2241099978 NUUYJGOTBUEKBG-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE CC[C@H](C)N(CC=CC#CC(C)(C)C)Cc1ccccc1 2241572633 SGWCJGAWHLLSHJ-SFHVURJKSA-N 283.459 4.893 30 10 CJEE Cc1cc(Cl)c(Cl)cc1N[C@@H](CC#N)C(F)(F)F 2255386478 HQDOXBGXMXJYDZ-JTQLQIEISA-N 297.107 4.558 30 10 CJEE CCc1ccc(C#N)c(SC[C@H]2CC[C@@H](C)C2)c1 2256669450 PKQJRYDGVDHYRD-OCCSQVGLSA-N 259.418 4.649 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(CF)CCC1 2259209160 AZFVEJRWXVGEBS-HNNXBMFYSA-N 255.421 4.631 30 10 CJEE N#C[C@]1(C[C@]23CCCC[C@@H]2CC3)CCC(F)(F)C1 2260651594 LZGUIGUVPWPZEW-HZSPNIEDSA-N 253.336 4.676 30 10 CJEE C=CCCCCc1cc(OC(F)(F)F)ccc1F 2261067812 DOCZSLNCXSDCMG-UHFFFAOYSA-N 262.246 4.623 30 10 CJEE C[C@@H](N(C)CCCCCCCS)C1(C)CCCC1 2263202719 JSSHWUGUTIAQKM-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CC1(C)CCC(C#N)(CC2(C)CC(F)(F)C2)CC1 2263681227 KGOCEVVALPKIRH-UHFFFAOYSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC[C@H](C)NOC1CCCC1 2263718031 NDEGFFSZKMCAGR-HNNXBMFYSA-N 255.446 4.979 30 10 CJEE CCCC#CC[C@H](C[C@@H]1CCCCC12CC2)NCC 2264849755 ATPAIFPQVFPXOA-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CC(C)(C)CCO2)CC1 2265608735 SCAGDCAWEQZCLQ-AWEZNQCLSA-N 263.425 4.692 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC2(CC(F)C2)C1 2265696937 BGCOXTXDFSLGKM-UKBSLWIUSA-N 269.448 4.996 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cccc(OC)c1Cl 2268071020 CJHXGGPGKFTQSC-LRDDRELGSA-N 281.827 4.602 30 10 CJEE C=C1CC(CCCCC[C@@H]2C[C@@H]2C)(CNC(C)C)C1 2269465445 CZCGVFVJARNYGS-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C=CCCCSC[C@@H](N)c1cccc2ccccc12 2271497880 MBNUKGVCFREAKF-QGZVFWFLSA-N 271.429 4.539 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cnc(CCC)s1 2271749387 COPVGKKFBMUDLU-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1[C@H]2CCCC[C@H]12 2271784909 ISZVNYUMFOFFJT-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCN(C)[C@@H](C)c1sc(CC)nc1C 2271836212 DTULJJVMTSHSRX-AWEZNQCLSA-N 280.481 4.753 30 10 CJEE C#C[C@H](C1CCC1)N(C)CC[C@H](C)CCCC(C)C 2272304505 ZAVMRHMFQBMUPD-SJLPKXTDSA-N 263.469 4.573 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccccc1Cl 2276200788 COAPDNIXJCOHMP-INIZCTEOSA-N 283.843 4.717 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC=C1CC 2277374812 PKEITIMUGCFSQF-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE N#Cc1sccc1CNc1cccc(SC(F)F)c1 2277480176 VLTZLSPQCIDJPY-UHFFFAOYSA-N 296.367 4.547 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NC)C(C)(C)C 2278240161 XXWSYMJEWLSRGF-DOTOQJQBSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1cscn1 2278243047 DHQUGUSYOJGJIP-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC1(C)CC(C)C1)NC 2279486254 VVDCGBSGMMFPLY-GPQLOAJWSA-N 283.500 4.512 30 10 CJEE O[C@H](CC#CC1CCCCC1)C[C@H]1CCCCC12CC2 2279604792 CHMSBDNVBRHHRH-QZTJIDSGSA-N 274.448 4.682 30 10 CJEE CCCN[C@H](CC#CC1CC1)C[C@H]1CCCCC12CC2 2279618741 GURQUFNIBQBVJK-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE N#C[C@@]1(CC[C@@H]2CCCC23CC3)CCc2ccccc21 2281331521 KYGPHHJBNLETOY-LPHOPBHVSA-N 265.400 4.755 30 10 CJEE CCCc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)cc1 2283524193 WXNJLTOUSKTZPP-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1CCCC(C)(C)CC1 2284180799 OFHACXKDKHRCSQ-DLBZAZTESA-N 275.480 4.916 30 10 CJEE SC[C@H](COc1cccc(-c2ccccc2)c1)C1CC1 2286816806 ICHBZRNOOKEUFW-KRWDZBQOSA-N 284.424 4.688 30 10 CJEE C=CCCCCCCCSc1cncc(F)c1CNC 2287076233 RAYPSSCEFFNNQW-UHFFFAOYSA-N 296.455 4.559 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1COC(C)(C)C1)NCCC 2287416345 YIEVWFOUIOFTHD-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@H](CCNC)NCCC 2287581680 YONAPVLOTCVKQF-GOSISDBHSA-N 282.516 4.661 30 10 CJEE C=CC1(C[C@@H](NCCC)C2CC3(CC(C)C3)C2)CCC1 2287840168 LNILDDQJRFOVGN-APUKJBRXSA-N 275.480 4.927 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cccc(SC)c1 2289613778 GBAFPGHUCFZGPL-GOSISDBHSA-N 287.472 4.643 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(COC)cc1F 2290001506 ZKRMWRGIJWXHPA-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE C=CCCCCCC[C@@](C)(OCCC(=O)O)C(C)(C)C 2292427661 MIASYGSTIDWGCD-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](C=C1CCCCC1)OCC(=O)O 2292449979 YBMVRUGTXBEUHR-INIZCTEOSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCCC1(OCCCN)CCSCC1 2292647821 RTKNXLCGWDHLAF-UHFFFAOYSA-N 299.524 4.534 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)C=CC[C@H](C)C1 2292768844 MFQCOHYFKPNAOB-ROUUACIJSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CS[C@@H](C)C1 2292795787 ILDBHDOLDVYYQU-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@H](CCC1CCCCC1)OCCN 2292904410 XTJCNNMNNXGSRI-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2cc(C)c(C)s2)CC1 2292908916 KNWWCULMFLKRGD-MRXNPFEDSA-N 293.476 4.518 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)c1sc(C)c(C)c1C 2293131454 BIIFRIWCPLLNKK-WBMJQRKESA-N 295.492 4.682 30 10 CJEE C=CCCC[C@@H](OCCCN)c1ccc(C(C)(C)C)s1 2293588542 RHGXUYSOEBQIQL-CQSZACIVSA-N 295.492 4.808 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CC=C(C)C)NC 2295684380 LNEBOUTWVCSEOY-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(O)CC[C@H](C)C1 2295691327 KPWJVXFSEAOQRT-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE Cc1ccc(-c2nc(C=CC(=O)c3ccco3)cs2)cc1 2301950668 XSZQXRYFFUAFCG-UHFFFAOYSA-N 295.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(CCC)s1 2304030177 ZJGZBQHKWZWCNK-IUODEOHRSA-N 251.439 4.563 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(Br)c1 2304041073 LEEJUOPRWYRAAV-CQSZACIVSA-N 296.252 4.702 30 10 CJEE C=CCCC[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2304581615 BBUOOQSMFJFOLO-SECBINFHSA-N 279.783 4.956 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OC[C@@H](CS)CC(C)C 2308053506 LOJNOGUJTUJUHZ-ZNMIVQPWSA-N 258.471 4.564 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C1CCCC1 2311492025 SNWICIYCCNGCQT-GVDBMIGSSA-N 252.442 4.924 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C[C@@H]1CCC[C@H]1C(F)F 2313060114 ZFWNYDURWMBVLC-XPCVCDNBSA-N 255.352 4.778 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)cc1 2315465706 OTJBQLOJBFLRMR-XNRPHZJLSA-N 263.812 4.735 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C 2320103125 LOBBWIKOWYFPGA-VGWMRTNUSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC(C)(C)CC1)NCC 2321105275 NYJICVLGFICWIR-GOEBONIOSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H](CC)CC(F)F)NCC 2321109355 YJCSMNKQLXEPMZ-CHWSQXEVSA-N 261.400 4.638 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1C[C@@H](F)C1 2327360132 UQFHGGVDDGKTJA-IYBDPMFKSA-N 257.437 4.807 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1CC2(F)F 2329137675 SKNPWQCUJMDOLK-KKUMJFAQSA-N 273.411 4.760 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@H]2CC[C@@H]3C[C@@H]32)C1 2332048926 MGRMNTYYSTZMBV-KFWWJZLASA-N 262.437 4.844 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2332724642 RQTUYXWYNCZRIK-BZZMCLGOSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC2(CC2)[C@@H]1NCCC 2335099266 UPAVSKLYIJVCQS-HZPDHXFCSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CC(C)(C)CC2(CC2)C1 2337105031 TVQSPYNWZBQUPS-OWCLPIDISA-N 261.453 4.680 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccc(F)c(C)c1Cl 2338557909 CRPIZZXIGYLJNW-OAHLLOKOSA-N 282.786 4.795 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC(C)C)CC=CCC1 2338729609 HYIOQUDDUKSIBG-SFHVURJKSA-N 261.453 4.727 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2344336981 NGWYZXREYIWXCC-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc2ncsc2c1 2344383826 JOBURFQZZDZRBU-WBMJQRKESA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccccc1C1(C)CC1 2344422064 WIQADRJWHIKUQU-KRWDZBQOSA-N 256.389 4.913 30 10 CJEE C=CC[C@H](C)[C@H](CCC1(C(F)(F)F)CC1)NCCC 2344790559 SEOIFRJCOQNGBY-STQMWFEESA-N 277.374 4.690 30 10 CJEE C#CC[C@H](CC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1 2349852859 LOUJKCNDEUAPJT-SNVBAGLBSA-N 299.172 4.755 30 10 CJEE CCC1(CC)CCCN(C[C@](C)(CS)C(C)(C)C)C1 2352320301 XKQLGQLRSGENMJ-MRXNPFEDSA-N 285.541 4.871 30 10 CJEE CC(C)C[C@H](CS)COc1ccc2c(c1)CCCC2 2353827252 KCGWYWYYMYHUPA-AWEZNQCLSA-N 278.461 4.536 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NCC 2355019550 HZHYZAFTKJZFHF-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1C[C@H]2CC[C@@H]1O2 2358321851 GEUDBEXMTKKMDE-XDNAFOTISA-N 280.452 4.612 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1CCC 2360085862 UMFRRQGRDWMASH-KZNAEPCWSA-N 281.484 4.683 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CC)C[C@](C#N)(NCCC)C1 2360329742 GQYXQASHERJPLE-HZMVEIRTSA-N 294.508 4.525 30 10 CJEE Cc1cc(OCc2ccccc2C#N)ccc1C(C)C 11834126 RGZALKHSMHQVMN-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE CCOc1ccc(/N=C/c2cn(CC)c3ccccc23)cc1 40570818 CAOMARPSXAUBBX-DEDYPNTBSA-N 292.382 4.811 30 10 CJEE Cc1ccccc1OCCC[C@@H](C#N)c1ccccc1C 57686803 QNVPSNKTUOCUTP-KRWDZBQOSA-N 279.383 4.770 30 10 CJEE CCN(CC)c1ccc(/N=C/c2ccccc2Cl)cc1 59457004 UBEPHGPRWXPJCZ-CPNJWEJPSA-N 286.806 4.937 30 10 CJEE Clc1cccc(/C=N/c2ccccc2)c1Cl 59508104 UVWZIICKRPYGFE-CXUHLZMHSA-N 250.128 4.744 30 10 CJEE C=C(Cl)CNc1c(Cl)cccc1C(F)(F)F 71126071 LYUSXIXHOAYULJ-UHFFFAOYSA-N 270.081 4.523 30 10 CJEE N#C[C@@]1(C[C@@H]2Cc3ccccc3S2)CCc2ccccc21 92273631 JUXKEEPZCCYFLP-LPHOPBHVSA-N 291.419 4.501 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(C3CC3)cc2)c1 94521325 SKVNEFDKGDVXHZ-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)NC[C@@H]1C 95696705 DPOKBVQVUNGUHP-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CC#CCC[C@H](Cc1cccc2ccccc12)NCCC 97417236 GKSVHOQFTRYPGF-LJQANCHMSA-N 279.427 4.554 30 10 CJEE CCCCCCC[C@](C)(C#N)NC1CCCCC1 103080552 CXLJSMRRQNHTOP-MRXNPFEDSA-N 250.430 4.551 30 10 CJEE CCCCCCC[C@@H](NC1CC1)c1nc2c(s1)CCC2 104447903 CUAOEELREKQDAT-OAHLLOKOSA-N 292.492 4.785 30 10 CJEE CCCCCCCCOc1ccc([C@@H](O)CC)cc1 105280842 QUFPBENQPPQQRZ-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE CCCOc1ccc(C(C)(C)C)cc1CCCS 107601707 FVAOHAQENKEYSD-UHFFFAOYSA-N 266.450 4.635 30 10 CJEE C=CC[C@@H](C)c1cc(OCC)c(OCC)cc1Cl 107678495 KJAVLSZUXIJHIM-LLVKDONJSA-N 268.784 4.817 30 10 CJEE CCCCCCCCCOc1ccsc1C(=O)O 109972770 SZQOREYUCUSEMY-UHFFFAOYSA-N 270.394 4.576 30 10 CJEE CCCCCCCC[C@@H](Cc1cccnc1)NCCC 110916157 BDJPQUPAIQRWNP-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCC[C@@H](O)c1nccc2ccccc12 111931757 VWFMICMWNAGMCQ-MRXNPFEDSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H]1CCCOC1 115762314 ATTZTUJBMDGTAG-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2cccnc12 115836566 YQDAWBDPXBTSSC-MRXNPFEDSA-N 257.377 4.629 30 10 CJEE C[C@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)CC(C)(C)C1 125729052 JTJDWXAGXBKKFM-WCQYABFASA-N 276.811 4.838 30 10 CJEE C[C@@H]1CCCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 128760095 DMIUEVKQDQXRAB-NEPJUHHUSA-N 296.336 4.815 30 10 CJEE CCCCCCCCC[C@@H](N)c1snnc1C(C)C 139412557 LVBGSTRMMBJLJP-CYBMUJFWSA-N 283.485 4.802 30 10 CJEE CCCCCCCCCNC[C@H]1CCCCS1 158195300 XRXNXWVFFOLWIH-OAHLLOKOSA-N 257.487 4.612 30 10 CJEE CC[C@H](CS)CSCc1ccc(Cl)cc1 159185569 NOFZZGSCVGZADW-SNVBAGLBSA-N 260.855 4.529 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](OC)C(C)(C)C 159807020 CIFQBWSLRNUZNL-LSDHHAIUSA-N 257.462 4.516 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 163956480 GRNHLYBAWKYORZ-LLVKDONJSA-N 284.325 4.958 30 10 CJEE C=C(C)CC[C@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 164506634 MLCGBEZEUMIGSA-KRWDZBQOSA-N 273.464 4.827 30 10 CJEE C=C(C)CCC[C@@H](CNC(C)(C)C)c1ccccc1 164927854 UGRKQRJRMLNPNG-KRWDZBQOSA-N 259.437 4.905 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC 164943603 SVKLSKAUKZIINN-BZUAXINKSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC[S@@](=O)c1cc(F)ccc1N 165884585 TXPGGSQHZGRHRS-FQEVSTJZSA-N 299.455 4.656 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)C1 231003975 CMVPQQRIFWNHAX-XJKSGUPXSA-N 276.811 4.860 30 10 CJEE C[C@H]1CC[C@@H](CC2(C#N)CCC(C(C)(C)C)CC2)O1 232059450 YZCVBLVTEYWRLT-BOLLXYOYSA-N 263.425 4.690 30 10 CJEE CC[C@H](C)c1ccc(OCC(C)(C)CS)cc1 232360751 YNOQFUKFLDKTSD-LBPRGKRZSA-N 252.423 4.535 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)c(F)cc1F 232926998 YAKOLKVSGZHIPN-HNNXBMFYSA-N 273.342 4.725 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(Cl)o1 232939768 AETUFJSMBYSLKQ-UHFFFAOYSA-N 285.815 4.804 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CCCCS1 233124496 WPYIUHZNROPDFQ-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc2ncccc12 234461543 CMYCTVSWHMISKQ-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CSCCCCCCNc1cccc(SC)c1C#N 235037674 IFOGGSPAKTVKAT-UHFFFAOYSA-N 294.489 4.615 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc(C)c(C)cc2C)cc1 235887523 RHONBVHGNCBKFL-GOSISDBHSA-N 264.372 4.597 30 10 CJEE Cc1csc(Sc2ccc(C#N)c3ccccc23)n1 236005366 UVZYCKNHVMISBG-UHFFFAOYSA-N 282.393 4.628 30 10 CJEE C=CCCCCC[C@@H](N)Cc1c(Cl)cccc1Cl 236314858 VKFUBCQZROIWBI-GFCCVEGCSA-N 286.246 5.000 30 10 CJEE CCCCCCCCCN1C[C@H]([C@H](C)CC)NCC[C@@H]1C 250835939 UXASPABEXJJMLJ-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@H]2CC[C@H]1C2 252901231 KQIIJMFJTDNMEU-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 253033905 HIVWRZPSXLVURJ-HAGHYFMRSA-N 283.459 4.687 30 10 CJEE Clc1ccc(N=C2SCCN2C2CCCCC2)cc1 254391489 FSSHBCIMLJPERY-UHFFFAOYSA-N 294.851 4.709 30 10 CJEE C[C@@H](C#N)c1cc2c(C(F)(F)F)cccc2s1 260123682 SUVQPDWXZMXAHH-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@H](C#N)Nc2ccccc2Cl)C1 300077583 DLMNYCFDSQVILT-GHJWDPDVSA-N 274.795 4.636 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CC(F)(F)c2ccccc2)C1 311513570 CRMFUXQAUMKMCF-HIFRSBDPSA-N 263.331 4.889 30 10 CJEE C=CCCCCC[C@]1(C#N)CCCc2ccccc21 311636842 WPLBFPQAJGYNOB-GOSISDBHSA-N 253.389 4.921 30 10 CJEE C=CCC(C)(C)CNC[C@H](c1ccccc1)C(C)C 311778316 YBDIURPTYFRORL-KRWDZBQOSA-N 259.437 4.618 30 10 CJEE CC(C)C1CCC(C=O)(CCc2ccsc2)CC1 317084543 DADAKMAUMVBZJM-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE C=C[C@@H](C)C1(CNC(C)C)CCC(C(C)C)CC1 318081664 NYSGJMCOKDYDQA-KLAILNCOSA-N 251.458 4.639 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1oc2ccccc2c1C 384840969 IPSZKGKGSDUFMW-ZDUSSCGKSA-N 257.377 4.604 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CCCC(F)(F)C1 384888582 SSJMTQBRDZUMJI-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccc(F)cc2)o1 393772752 BZLKDLCSRILDPL-OAHLLOKOSA-N 273.351 4.530 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCC[C@H](CC(C)C)C1 398111549 NFAMKYSUHXXDJA-BBWFWOEESA-N 251.458 4.926 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)cc(C)cc1F 398468494 NZBUMJCBMIBUBQ-HNNXBMFYSA-N 269.379 4.894 30 10 CJEE C=C(CC)CN[C@H](C)c1c(Cl)cccc1Cl 400830050 WMTMRGKFZAUHNU-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H]2CNC[C@H]2C1 401065952 LKULCMRIZZNYJQ-IXDOHACOSA-N 251.458 4.763 30 10 CJEE C#CCCCCCNc1cccc(OCc2ccccc2)c1 686683528 SELUUTOZKQQSOQ-UHFFFAOYSA-N 293.410 4.871 30 10 CJEE C#CCCCCC[C@@H](CCCc1cccs1)NCC 686702053 YQXNOIXXBMSERC-INIZCTEOSA-N 277.477 4.633 30 10 CJEE CC(C)(C)C#CCC1(C(=O)O)CC(C)(C)CC(C)(C)C1 688334594 JTVHVNRWSXVTPB-UHFFFAOYSA-N 278.436 4.733 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccccc1C#N 691044689 MZGKTBQMKZHZPO-NVXWUHKLSA-N 256.393 4.575 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C(C)(C)C)c1 691653342 OUEXSZLHFYRVPY-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCCCCCN[C@@H](C)Cc1ccccn1 694013012 YEOIDZHKKNLZPA-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@H]3C[C@H]32)c1C#N 694314335 XASMADFMKCINGX-MELADBBJSA-N 286.444 4.518 30 10 CJEE C=CCCSCCN[C@@H](C)c1cc2c(s1)CCCC2 696044880 OVDCOYPDPZJFDC-ZDUSSCGKSA-N 295.517 4.587 30 10 CJEE C=CC(C)(C)CCN[C@H]1c2ccccc2CC1(C)C 701867029 JVJYDVCOEUBIOS-INIZCTEOSA-N 257.421 4.502 30 10 CJEE Cc1cc(SC[C@@H](CS)C2CC2)nc2ccccc12 701999341 SXWFAYOROJAQGG-CYBMUJFWSA-N 289.469 4.591 30 10 CJEE CCCCCCCN[C@@H](C)c1cnc2ccsc2c1 703782443 JKVIIZWGRZZXHN-ZDUSSCGKSA-N 276.449 4.917 30 10 CJEE CCCCCCCNc1cc(C(F)(F)F)nc(Cl)n1 703786852 GLVADINLCOCUBM-UHFFFAOYSA-N 295.736 4.531 30 10 CJEE CCCCCCCCCCCCC1(C(=O)O)CC(=O)C1 706584430 KORAZHLWHDWRAI-UHFFFAOYSA-N 282.424 4.731 30 10 CJEE C=CCCCOC[C@H](NCCC)c1ccc(F)cc1Cl 708929786 JTQKVVNPMYRIIW-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@]12CCCC[C@H]1C2 709098001 QPOHVYPFDMLRGU-MAZHCROVSA-N 274.795 4.614 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1C[C@H]1C1CC1)NN 714816452 ZTGYWDURFFONAL-KSZLIROESA-N 280.500 4.785 30 10 CJEE C=CC[C@H](C)c1cc(OCc2ccccc2)ccc1O 715702923 AETMYSNPYZNEEZ-AWEZNQCLSA-N 268.356 4.651 30 10 CJEE CCCCCCCCCNCC[C@@H]1CC[C@H]2C[C@H]12 717136943 NGZUIUNTMMPULZ-YESZJQIVSA-N 251.458 4.763 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1Nc1ccc(C#N)c(Cl)c1 717555494 QQYNARKFEVNSDG-NHYWBVRUSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@@H](N)c1csc(C(F)(F)F)c1 718711467 SJELTFBCDZXFGO-LLVKDONJSA-N 277.355 4.903 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1cc(Cl)ccc1C#N 719306787 FVDRHRVOAWTBJV-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE C[C@H]1CC[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722135405 FMDQCNJAPNJTAJ-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C=C1CCC(C[C@H](NC)C(C)(C)c2ccccc2)CC1 724549339 DUKKQDFNJJOLHS-SFHVURJKSA-N 271.448 4.689 30 10 CJEE C[C@H](CC1CCCC1)/N=C1/N[C@H](C2CCCC2)CCS1 725116305 UGAQOHLLNGVKPU-CJNGLKHVSA-N 294.508 4.597 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)C1CC1 789718991 MIUBRBUPMXCVEY-AWEZNQCLSA-N 285.431 4.913 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2cnc3ccccc3c2)CCC1 791795497 UCTBWLNZIGMLJP-CQSZACIVSA-N 295.382 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[C@H]1CC 821986883 FLOCHARGXYVOHH-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C3CCC3)C2)CCCCC1 1147999280 PKRSOPSIIHUWTA-QGZVFWFLSA-N 289.463 4.552 30 10 CJEE C=CCCCCCOc1ccc(Br)cc1F 1188170187 RWQQQHQAYPNBHT-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=CCC[C@H](NCCCCOC(C)(C)C)c1ccccc1 1192707763 ALTNEUWTNBXOEF-SFHVURJKSA-N 289.463 4.879 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C(=C)C)c1ccc(F)c(F)c1 1205434826 QZXZJAKYSXFTBG-RHSMWYFYSA-N 279.374 4.916 30 10 CJEE C=CCC[C@H](C)NC[C@@H]1CCCC[C@H]1c1ccccc1 1205832607 RXBRHOSFKBZQIU-WDSOQIARSA-N 271.448 4.905 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]1CCCCC 1230814955 MNMHHEPUEAUKQQ-SJORKVTESA-N 294.483 4.876 30 10 CJEE C=C(C)[C@H](N[C@@H](C)C1CCCC1)c1ccc(F)c(F)c1 1308693603 DIXLBEABKZECJK-SJCJKPOMSA-N 279.374 4.750 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC(C)(C)C[C@@H]2C)c(Cl)c1 1308960610 HUHFSVJBATWNDH-SWLSCSKDSA-N 275.823 4.948 30 10 CJEE C=CCC[C@H](NC(=O)/C=C(\C)c1ccco1)c1ccccc1 1435623401 ZFDAYBVAHMJKFC-ZWKQNVPVSA-N 295.382 4.507 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H]1CC1CCCCC1 1442551761 JCMJBDYATVUWDE-INIZCTEOSA-N 277.452 4.550 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C)cc1SC)c1ccccc1 1451624866 WQTZBKQCYGDFOO-OAHLLOKOSA-N 297.423 4.625 30 10 CJEE C=C1CCN(CC2CCC(c3ccccc3)CC2)CC1 1459451742 FQFLQQCEIXXKGE-UHFFFAOYSA-N 269.432 4.612 30 10 CJEE C=CCCCCN1CCc2ccccc2[C@H]1C(C)C 1459653871 WNJWTKBJGXYWRV-GOSISDBHSA-N 257.421 4.598 30 10 CJEE C=C(C)[C@H](NCC/C=C\CC)c1ccc(F)c(F)c1 1459979516 IZEMBMPHFWNUAA-KJPDOMRESA-N 265.347 4.528 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1)c1ccccc1 1461549726 OAFDOGGHSZTMDM-GRGSLBFTSA-N 292.378 4.507 30 10 CJEE C=CCCCCCCCNCc1c(O)ccc(Cl)c1F 1461555007 OYGOGOOHGKJNBB-UHFFFAOYSA-N 299.817 4.801 30 10 CJEE C=C(C)c1cccc(Nc2ncc(C#N)c3ccsc23)c1 1472896850 HJHNHUPAZYACOO-UHFFFAOYSA-N 291.379 4.945 30 10 CJEE C#Cc1ccc(CN2CCCC3(CCCCCC3)C2)cc1 1474308311 BCHWHAWUNCCDAW-UHFFFAOYSA-N 281.443 4.604 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1528671841 DPLSEXBKRWBFRR-GJZGRUSLSA-N 279.468 4.652 30 10 CJEE C=CC1(CC(=O)N(CC)[C@@H]2CCCC[C@H]2C)CCCCC1 1529733153 RSSRDKVSTQUNDL-IAGOWNOFSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)Oc2cc(F)ccc2Cl)CCCC1 1539482436 BYNVNDMIQVRTAV-UHFFFAOYSA-N 282.742 4.521 30 10 CJEE C=C(CC)CNc1nc2cc(Cl)cc(Cl)c2o1 1559210921 HPGHPNGCRIYHMN-UHFFFAOYSA-N 271.147 4.513 30 10 CJEE C=C(CC)CN(Cc1cccc(Cl)c1)C(C)C 1559485814 UKVKCBCUFFZSHO-UHFFFAOYSA-N 251.801 4.517 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@](C)(CC)CCCCC)C1 1583961509 YMBIQZFLCFBQBI-FUHWJXTLSA-N 279.468 4.798 30 10 CJEE C=CCC1(CNC(=O)C(CC(C)C)CC(C)C)CCCC1 1587304991 WNUMJIIOQKZLKY-UHFFFAOYSA-N 293.495 4.948 30 10 CJEE FC(F)(F)Oc1cccc(C#Cc2cccc(Cl)c2)c1 1614825392 XBZBFFBYEXXOLP-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE C=CC[C@H](C)NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1617573277 YWKOIORTVHQNJW-RYQLBKOJSA-N 299.458 4.677 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 1620761881 WNXKQWAQOHNNJX-QAPCUYQASA-N 287.422 4.582 30 10 CJEE C=CCCCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C 1644926848 BTNIMQNPONAVKO-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCN1CCCCC[C@@H]1/C=C\c1ccccc1 1644937307 SSVXNYTVROCSKC-VKNLVWNJSA-N 269.432 4.911 30 10 CJEE C#CCCN(Cc1ccccc1Cl)c1ccc(F)cc1 1645004447 ZDXIXXZAJAAAMD-UHFFFAOYSA-N 287.765 4.509 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(F)c(OC)c(F)c1OC 1652486632 MSHUZWRLDGFMGE-NSHDSACASA-N 299.361 4.529 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CC(c2cccc(OC)c2)C1 1652806840 TZHVGLGWAHGOER-GIESBBMHSA-N 299.458 4.666 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC[C@@H]1c1ccccc1 1652871767 OKKNPVVOSBEOHO-SJORKVTESA-N 257.421 4.515 30 10 CJEE C=CCCCN(CC)Cc1cccc(Cl)c1Cl 1655014847 WIUIKPDSYYVWGY-UHFFFAOYSA-N 272.219 4.782 30 10 CJEE C=C(CC)CN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1655347034 OTJNRZZOOYTADB-MRXNPFEDSA-N 297.364 4.983 30 10 CJEE C=CCCC[C@@H](NCc1ccccc1)c1ccccc1 1657891326 HVIWXFNFCJCCHO-LJQANCHMSA-N 265.400 4.874 30 10 CJEE C=C(C)c1cccc(NCc2ccc(OCC)cc2)c1 1658115445 LZELTYFBGYHVGT-UHFFFAOYSA-N 267.372 4.731 30 10 CJEE CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 1658287833 FKEFSSHVVUVRDL-AYOQOUSVSA-N 284.447 4.814 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC(CC)(CC)C(F)(F)F)C1 1658460230 RAUICXWASYINCP-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C=C[C@H]1CCCCN1CCCSc1ccccc1Cl 1658479621 NOYAACVMAXYGLW-AWEZNQCLSA-N 295.879 4.863 30 10 CJEE C=CC[C@@H]1N(Cc2cccc3c2NCCC3)CCCC1(C)C 1659622478 UIRBWUSCGUPQQG-SFHVURJKSA-N 298.474 4.611 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC[C@H](CCC)C1 1673406898 SRYIQBVVACDQFA-KRWDZBQOSA-N 294.483 4.735 30 10 CJEE C=CC[C@H](C)NC(=O)N[C@@H](CCCCC)c1ccccc1 1676967487 IZKDCBITVUNGJB-RDJZCZTQSA-N 288.435 4.572 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1(C(C)(C)C)CCC1 1876787896 ROWGYWYGYGWFRK-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H]1CCCC12CCC2 1879646512 GKKMZUKFDKJBEB-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C=C(CN(Cc1cccs1)C(C)C)c1ccccc1 1883358323 CWAYGCSVETYKCW-UHFFFAOYSA-N 271.429 4.672 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1C[C@H]1C(F)F 1883857609 GBBAYZXYNQOVAQ-HUUCEWRRSA-N 275.427 4.960 30 10 CJEE CC(=O)C=Cc1ccc(-c2cccc(Cl)c2)s1 1884389881 UMUASPYUKXAFTO-UHFFFAOYSA-N 262.761 4.671 30 10 CJEE C=CCCCCC[C@](C)(O)c1cc(F)c(C)cc1F 1886400504 BPUINYRNOCLHEV-INIZCTEOSA-N 268.347 4.617 30 10 CJEE CCCCCCCN(C)c1cccc(Cl)c1[N+](=O)[O-] 1887052399 WYYUFYFEPZWFFL-UHFFFAOYSA-N 284.787 4.655 30 10 CJEE CCCCCCCCN(C)Cc1cccc(NC)c1 1887113880 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CC(C)[C@@H]1CC[C@H](C)N(CC2(CS)CCCCC2)C1 1924180581 FVTBBDVUFHPQNJ-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE C=CC1(CN(Cc2ccccc2)[C@H](C)C2CC2)CCC1 1953899707 MKWQYXVZZJTKGE-MRXNPFEDSA-N 269.432 4.643 30 10 CJEE CCCCCCCCNCc1cccc([Si](C)(C)C)c1 1965858832 ADPVWVSRANOQGT-UHFFFAOYSA-N 291.555 4.682 30 10 CJEE CCCCCCC[C@@H](C)NCc1conc1C(C)C 1967828206 QFWJYUDKJBODDI-CQSZACIVSA-N 266.429 4.637 30 10 CJEE CCCCCCCCC(=O)c1nc(Cl)cs1 1991628966 HAADOUUKZYXBIC-UHFFFAOYSA-N 259.802 4.730 30 10 CJEE C=C1CC(CNc2c(C)cc(Cl)cc2Cl)C1 1993349909 LLHRNNLRNLDPJL-UHFFFAOYSA-N 256.176 4.680 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2csc(Br)c2)C1 1994466318 ZWXMABSFOOLVNG-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE C=CCCC[C@H](NCCC)c1snc(Cl)c1Cl 2002116964 PJLGDNDTNFZDHO-VIFPVBQESA-N 293.263 4.847 30 10 CJEE CC[C@](C=O)(Cc1cc(Cl)cc(Cl)c1)C(C)C 2021048637 RXAYVIUMTPEQDC-CQSZACIVSA-N 273.203 4.787 30 10 CJEE C=CCC[C@H](NCC)c1cc(C)c(Br)cc1C 2022973735 JIVNWAYUCYHPQO-HNNXBMFYSA-N 296.252 4.683 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC1(C)CCCCC1 2027307318 UVVAGTGMTIBPJX-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cscc2Cl)C1 2029466620 WRFRSNYZNMVLEB-LERXQTSPSA-N 283.824 4.545 30 10 CJEE CCCC(CS)(CCC)COCC[C@H]1CC1(C)C 2032429577 JPDNKXFAJVQNGN-AWEZNQCLSA-N 272.498 4.956 30 10 CJEE CCCCCCC[C@@H](N)C1CC2(C1)CC(C)(C)C2 2039461956 MRXKNZYQLSBZDT-OAHLLOKOSA-N 251.458 4.891 30 10 CJEE CC[C@@H]1CC[C@@H]1N(C)CCCCCCCCCS 2043651682 ADZPKDCTIMSLBS-CVEARBPZSA-N 271.514 4.767 30 10 CJEE C=CC1(CN[C@@H]2C[C@H](C)Sc3sccc32)CCC1 2049014261 XIHNWXKXMRSZAF-WCQYABFASA-N 279.474 4.619 30 10 CJEE C=CC1(C[C@@H](N)Cc2c(Cl)cccc2Cl)CCC1 2049033318 QPYGENGEKOZSPZ-NSHDSACASA-N 284.230 4.610 30 10 CJEE CCCCCCCN(C)C[C@H]1CCC[C@@H]1C(C)C 2056420718 AGOLSRXPTLOLHE-IAGOWNOFSA-N 253.474 4.961 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1(C)CCC(C)(C)CC1 2056553409 RFIBJAMUSYARTH-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](O)C1(CC(F)(F)F)CC1 2056620574 HIYRVLJSGRDEGJ-LBPRGKRZSA-N 266.347 4.831 30 10 CJEE FC(F)Oc1cc(C(F)F)c(S)c(C(F)(F)F)c1 2060211330 AAYLXPMQCPFPFN-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE CCCC[C@H](CC)C[C@]1(C#N)CCC[C@H](OC)C1 2062738997 BWUJPRYLMHFUNZ-HRCADAONSA-N 251.414 4.692 30 10 CJEE N#C[C@@]1(CC2(F)CCCCC2)CCCC(F)(F)C1 2065225504 MKYLXRKAWSWBND-GFCCVEGCSA-N 259.315 4.768 30 10 CJEE CCCCOCC1(C#N)CC(C)(C)CC(C)(C)C1 2067204362 PYEPEPXJJSBIIX-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccc(CC)cc1 2070171263 ZVZXRVDGKZHXCQ-OAHLLOKOSA-N 292.426 4.694 30 10 CJEE C=CCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCCC 2072384378 UBELJXLGRDOKSO-GJZGRUSLSA-N 273.401 4.502 30 10 CJEE C=C(C(=O)c1ccc(Cl)cc1C)c1ccccc1 2076582534 LHFXUGRDGYCRTO-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE CCCCCC#CC[C@H](O)c1cc2cscc2s1 2083398828 GONRPEIRZKERLI-ZDUSSCGKSA-N 278.442 4.970 30 10 CJEE C=C(C)CCCNCc1ccc(-c2cccs2)s1 2085088187 MNTWZEYUFOLVIO-UHFFFAOYSA-N 277.458 4.923 30 10 CJEE C=CCCCCCC[C@H](O)C[C@@H]1CCC[C@@H]2C[C@@H]12 2085846883 JYIDNHNUNLAMEX-YVSFHVDLSA-N 250.426 4.700 30 10 CJEE C=CCCCCCC[C@@](C)(O)C12CCC(CC1)C2 2085853558 DOGKAWNKTPLEKW-AQFXKWCLSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1CCCSC1 2086261876 PUEFAVKRRYTKAL-HZPDHXFCSA-N 270.482 4.797 30 10 CJEE CC1(C[C@@]2(C#N)CCCC(C)(C)C2=O)CCCCC1 2087529474 ASVRLLOCEVRBSU-QGZVFWFLSA-N 261.409 4.636 30 10 CJEE CCCCCCCCC[C@H]1NC2(CCCCC2)CO1 2088243542 PVVQEZPFCDBRKQ-INIZCTEOSA-N 267.457 4.776 30 10 CJEE O=C(C[C@H]1CCCC[C@H]1C(F)(F)F)C1=CCCCC1 2092670051 QTTCSLIZEBNPAX-CHWSQXEVSA-N 274.326 4.815 30 10 CJEE CC(C)(C)NCC1(CC#CC2CCCCC2)CCC1 2093461317 AMIYXVXPEYEDGY-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=C(C)C[C@H]1CCCc2ccccc2[C@@H]1NCCC 2096541197 AGAIZHPURUTVNY-SJLPKXTDSA-N 257.421 4.646 30 10 CJEE C=C(C(C)(C)C)[C@@]1(N)CCCC[C@H]1c1ccccc1 2098581950 GJABCWUCBJGMOA-WMZOPIPTSA-N 257.421 4.644 30 10 CJEE C=CCCCCCNC[C@H]1CCC[C@]2(C1)CC2(F)F 2099954150 SOWZYWXSFLGQSN-GJZGRUSLSA-N 271.395 4.538 30 10 CJEE C=CC[C@H](C)OCc1cc2sc(CNCC)cc2s1 2100383242 HLPBKHTURNSFPT-NSHDSACASA-N 295.473 4.554 30 10 CJEE C=C([C@H](CC12CCC(CC1)C2)NCCC)C(C)(C)C 2100915775 JGRUWLQWKQVRKT-PQUAAJSLSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CO[C@H](C)C1)NCC 2103111517 YUBWIIFPDHIKPW-IXDOHACOSA-N 269.473 4.530 30 10 CJEE O=C[C@@]1(CC2CCC(C(F)(F)F)CC2)CC=CCC1 2103824348 XHVRYEZWFIJGAZ-RUXDESIVSA-N 274.326 4.671 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C2CCC2)c1 2105121405 DYWZCFOQPLDOCM-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2cc(C)ccc21 2107431982 VDMDNEYIEAUBHW-GOSISDBHSA-N 257.421 4.708 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@H](OC)C1CCCCC1 2108188324 CXIKNSYHPKRMKT-IRXDYDNUSA-N 268.441 4.757 30 10 CJEE CC(C)CO[C@@H](C)C[C@@]1(C=O)CCCC(C)(C)CC1 2109224743 KMSZQZXCDJSWEJ-DOTOQJQBSA-N 268.441 4.613 30 10 CJEE C[C@H]1CO[C@@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)C1 2110071018 UOLSTSSXTPOKON-ZIAGYGMSSA-N 263.425 4.548 30 10 CJEE Cc1c(Cl)cccc1C[C@@]1(C=O)CCCC(C)(C)C1 2112216902 HKSNJXHKDCCHSM-KRWDZBQOSA-N 278.823 4.976 30 10 CJEE C[C@H]1CCC[C@H]([C@](C)(N)CC#CC2CCCCC2)C1 2112262577 OUIJLXBVJWPLNI-RYQLBKOJSA-N 261.453 4.504 30 10 CJEE C=CC1(NCc2ccc(C(F)F)cc2)CCCCC1 2121652932 FSOSXIFBDMJKDZ-UHFFFAOYSA-N 265.347 4.603 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@H]1CC2CCC1CC2 2123087820 FABPKBIGIVEVHH-HIEASXQVSA-N 263.469 4.927 30 10 CJEE C=CCCCC[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2123088023 GMFOBNQWXBZHHB-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCC1CC(Nc2cc(Cl)c(F)cc2C#N)C1 2128007241 APYSJPIORCHFOW-UHFFFAOYSA-N 280.774 4.731 30 10 CJEE N#CC1(CC[C@H]2CCCC2(F)F)CCC(F)(F)CC1 2128480966 GIPZNXDQXQDCBQ-LLVKDONJSA-N 277.305 4.921 30 10 CJEE C=CC1(C[C@H](NC)[C@@]2(C)CCCC(F)(F)C2)CCC1 2132140437 HXIITQCOIVVEHU-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C([C@H](NCC)[C@H]1C[C@@H]1C1CCCCC1)[Si](C)(C)C 2135322916 IRSCUJUCEUXKON-IKGGRYGDSA-N 279.544 4.615 30 10 CJEE CCSc1cccc(N=C2N[C@@H]([C@H](C)CC)CS2)c1 2136526124 NRPASCLLMABWMK-BXUZGUMPSA-N 294.489 4.537 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1cc2cc(F)ccc2s1 2136684693 UYAXOIFQTGGTQQ-UWVGGRQHSA-N 272.344 4.579 30 10 CJEE CCCCCCC[C@H]1C[C@H](N)c2ccc(Cl)cc2O1 2138543706 LAFIPKXGERYCJS-ZFWWWQNUSA-N 281.827 4.851 30 10 CJEE CCCCCC#CC[C@H](NCCC)C1(C(C)C)CC1 2138992057 YDISFAHGDWJKFX-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1 2138995011 VWIWOUICSJXENA-KSZLIROESA-N 261.453 4.504 30 10 CJEE CCCC#CCC(=O)[C@H](c1ccccc1)[C@H](C)CC 2139059103 KKEHRFVLLVIYAB-QAPCUYQASA-N 256.389 4.579 30 10 CJEE Cc1cc(N)c(Oc2cccc(Cl)c2C#N)cc1Cl 2141648536 IRUXGPKZGPSABO-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CCCCCCC[C@]1(O)CCSc2ccccc21 2141914918 WIOLRSSPILKYQH-KRWDZBQOSA-N 276.445 4.897 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1CCCCO1 2142450273 JSNRNXNSOLZEJM-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cn(CC)cn1 2144305824 POTFJEXOHGRDLX-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCC[C@H](C(=O)[C@H](C#N)c1cccc(Cl)c1F)C(C)C 2144872519 IEPDGWXTLCQVQK-WCQYABFASA-N 295.785 4.728 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC1CC1)NCCC 2147411636 ARGMKZDGSXNXHI-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](O)(CCC)C1CC1 2148585276 BQGOQMRPVLFGCW-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(O)CCCC[C@H]1C(C)C 2148590989 WIYPFHPKALJQJC-OKZBNKHCSA-N 283.500 4.642 30 10 CJEE CCCN[C@H](CC#CC1CC1)[C@@]12CCCC[C@H]1CCC2 2149059660 VINMYOXEVIAHDW-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1ncc(C)[nH]1 2149940449 PJGVDEXSOIHGIQ-MRXNPFEDSA-N 279.472 4.900 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC2(CCCC2)C1 2151829916 YONSRYMTRSEBBI-BBWFWOEESA-N 274.452 4.551 30 10 CJEE CCC[C@@H]1CCC[C@H]1N=C1N[C@@H](C2CCCC2)CCS1 2152918414 BHFPDPYAHYABJN-FVQBIDKESA-N 294.508 4.597 30 10 CJEE C[C@]12CCCC[C@H]1C[C@@H](Nc1ccc(Cl)c(C#N)c1)C2 2154233474 MIESQELVOGRAPB-YSVLISHTSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCC[C@H](CC1C[C@H]2C[C@@H]2C1)NN 2155856051 ZQLOYLTYFCGOSE-OKZBNKHCSA-N 280.500 4.785 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)CCC1 2157480244 MAIGOUMTDRPGJQ-INIZCTEOSA-N 269.388 4.567 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC2(C)CCCC2)C1 2157596554 FJOOMATVENDZHD-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CSc3ccccc32)C1 2159589014 ZMUXXPQWUPWWCS-HNNXBMFYSA-N 287.472 4.602 30 10 CJEE CCCCCCCCCN[C@@H]1CCC2(CCOCC2)C1 2159750564 WOSGXXUHVRBZCG-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE CCCCCc1ccc(NC[C@@H](C#N)C(F)(F)F)cc1 2160470404 RPUGJGSADPQVPF-CYBMUJFWSA-N 284.325 4.533 30 10 CJEE CCCOc1ccc(C(=O)C2=CCCCCCC2)cc1 2163969405 CFSRXQJKKDHTPR-UHFFFAOYSA-N 272.388 4.939 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(-c2ccc(F)cc2)o1 2164105136 PCVNNNFGNRNNHS-OAHLLOKOSA-N 273.351 4.703 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Cl)c(OC)c1 2164226237 DAAAWBZGBICWGI-DYVFJYSZSA-N 295.854 4.992 30 10 CJEE CCCC[C@@](C)(C#N)c1nc(C)nc2sc(C)c(C)c12 2164470104 PJIRAVCYOPRNFW-INIZCTEOSA-N 287.432 4.588 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC12CCCCC2)NN 2165746911 RKDKUWMCIFJECQ-SJORKVTESA-N 280.500 4.929 30 10 CJEE C[C@H](C1CCC(C)(C)CC1)N(C)C[C@@H](C#N)C(C)(C)C 2168495813 XPIMUFGVCIDYBJ-GDBMZVCRSA-N 278.484 4.709 30 10 CJEE C#C[C@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)c1ccccc1 2168632840 SJFYIJBOTSWHHG-NJAFHUGGSA-N 269.432 4.555 30 10 CJEE SCC1(CN2CCCC3(CCCC3)CC2)CCCCC1 2171389285 FCWSJZCWVUOPRC-UHFFFAOYSA-N 295.536 4.913 30 10 CJEE N#C[C@]1([C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CCCCC12CCC2 2173617519 BSYRJOLFNHSBRO-CTASWTNQSA-N 279.374 4.922 30 10 CJEE CCC[C@@]1(C)CSC(=NCC2(C)CCC(C)(C)CC2)N1 2176596425 DHJBUOBJSJPOIV-KRWDZBQOSA-N 296.524 4.844 30 10 CJEE C/C=C/C[C@@H](N)[C@H](O)CCCCCCCCCCCC 2177262727 GJNPJFPDSXJWRX-UUOJUMCQSA-N 283.500 4.952 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1ccc(Oc2ccccc2)cc1 2177564988 DYFUSBBFXMOAGL-KBXCAEBGSA-N 268.356 4.725 30 10 CJEE N#C[C@]1(C2CC(C3CCC3)C2)CCc2ccccc2C1 2177620245 KDGFVHQWZZGPDO-ACBHZAAOSA-N 265.400 4.512 30 10 CJEE C=CC1(NCc2[nH]c3ccccc3c2Cl)CCCCC1 2178137997 RRKIJQOTLDQYKI-UHFFFAOYSA-N 288.822 4.800 30 10 CJEE C=CCCCC[C@H](NC)c1ccccc1OC(F)(F)F 2179683790 XTROMEZGMDCIBU-ZDUSSCGKSA-N 287.325 4.592 30 10 CJEE C=C(F)C[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 2182511615 IJMKTRFKSXHNOA-INIZCTEOSA-N 277.427 4.605 30 10 CJEE 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4.533 30 10 CJEE C=CCC(CC=C)Sc1ncc(CNCC(C)C)s1 2335239698 WQIWZJASNPISGE-UHFFFAOYSA-N 296.505 4.502 30 10 CJEE CCCCCCCC[C@@H](C#CC1(SC)CC1)NCC 2336172612 ZIJFZTGFAPWBAA-INIZCTEOSA-N 281.509 4.614 30 10 CJEE COc1cc(F)c(C(=O)C=C2CCCCC2)c(Cl)c1 2338677202 LMUSTKOOXMIADU-UHFFFAOYSA-N 282.742 4.561 30 10 CJEE C=CCC(CC=C)N1CCCC[C@@H]1c1ccc(C)o1 2338711595 HTMVNOIHJVSEJL-MRXNPFEDSA-N 259.393 4.636 30 10 CJEE C=CCC(CC=C)[C@@](O)(CC)C1CCC(F)(F)CC1 2338732850 MRRYASGVEWMMDQ-INIZCTEOSA-N 272.379 4.721 30 10 CJEE C=CCC(CC=C)[C@H](CC[C@H]1CC1(C)C)NCCC 2338739941 ALBIVBRWUBRWAY-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1csc(CCC)n1 2338747292 PBQDXACMLHQMCG-INIZCTEOSA-N 278.465 4.515 30 10 CJEE CC(C)N(CCC#N)CCCc1cc(Cl)cc(Cl)c1 2341144480 BEWSRCLRHVPWFJ-UHFFFAOYSA-N 299.245 4.550 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@H]1CC[C@H]1C1CC1)NCCC 2342550582 ICMHDPBVJBNBTH-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(CC(C)C)c1 2344338454 ZLFFJMJRXYZAQX-QZTJIDSGSA-N 259.437 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCCC1(F)F)NCC 2344348722 MYKCQLOCXCEHKK-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC2CCC1CC2)NC 2344368408 DEZSWELFLZENDE-ILEACXBISA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](Cc1cc(Cl)ccc1F)NCCC 2344378806 MNIZBQRDRLQWEE-LRDDRELGSA-N 283.818 4.602 30 10 CJEE C=C([C@H](NCC)c1ccc(F)cc1SC)[Si](C)(C)C 2353846983 YROWMJVDPKMXGT-HNNXBMFYSA-N 297.515 4.632 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2357491947 GBXNLNPZQQVJDN-VJANTYMQSA-N 270.416 4.667 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@@H]1C[C@H]1CCC 2357781112 DAGCZQUEMKWPOW-OWSLCNJRSA-N 283.500 4.642 30 10 CJEE CCCC#CCCCCCCCO[C@@H]1CCCCO1 5819556 JXPUZAOSDJTBBV-KRWDZBQOSA-N 266.425 4.674 30 10 CJEE Fc1ccc(N/N=C/c2ccc(Cl)cc2Cl)cc1 6674963 ACLFKZHLYNHDEP-CAOOACKPSA-N 283.133 4.579 30 10 CJEE CC[C@H](CC#N)Nc1ccc(Oc2ccccc2)cc1 36678741 BOGUQTKGGDXPND-CQSZACIVSA-N 266.344 4.583 30 10 CJEE C#Cc1cccc(NC(c2cccs2)c2cccs2)c1 37185221 QXYHVMSBFIOPEX-UHFFFAOYSA-N 295.432 4.992 30 10 CJEE CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)cc1 37345309 MFSLXUYATCRKNS-KRWDZBQOSA-N 297.785 4.953 30 10 CJEE C[C@H](N[C@H](CC#N)c1ccccc1)c1ccc(Cl)s1 55017927 YGVCVQVWTZKBDG-WCQYABFASA-N 290.819 4.707 30 10 CJEE Cc1ccc(C[C@H](C#N)c2cccc3ccccc23)cc1 57723234 LSEFSLCPZMEKDC-GOSISDBHSA-N 271.363 4.998 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NCC)cc1 59178969 FWFLLPFGYAWEJF-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE Cc1c(/C=N/c2ccc3ncccc3c2)c2ccccc2n1C 59248130 CCPWCRRWISZADO-LPYMAVHISA-N 299.377 4.786 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2[nH]ncc2c1 59431501 FHCJFKYUECQYFQ-CYBMUJFWSA-N 259.397 4.724 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCCC1 70308042 LUNMBARZPGOZCJ-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE Cc1ccccc1CSc1nc2ccccc2cc1C#N 71390715 FJRQWWAIMDHIFF-UHFFFAOYSA-N 290.391 4.707 30 10 CJEE Cc1ccc(/C=N/Sc2nc3ccccc3s2)cc1 75252903 CWSGYQVODNFMBT-MHWRWJLKSA-N 284.409 4.731 30 10 CJEE CCc1oc(-c2cc(Cl)ccc2C)cc1CC#N 77076665 JGEFVIVGAFAYNF-UHFFFAOYSA-N 259.736 4.537 30 10 CJEE CC(C)c1oc(-c2ccc3c(c2)CCCC3)cc1C#N 77078818 RTJNYRNPTGPLSZ-UHFFFAOYSA-N 265.356 4.820 30 10 CJEE SCc1sc(-c2ccc(Cl)cc2)nc1C1CC1 82435545 KKUJFELTCMHSBJ-UHFFFAOYSA-N 281.833 4.771 30 10 CJEE Cc1cc(Cl)cc2c(CS)cc(C(C)C)nc12 82468467 CXQMYVXLSNPVFW-UHFFFAOYSA-N 265.809 4.750 30 10 CJEE O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Cl)s1 83194485 MZAQEKRJTXSFFV-AATRIKPKSA-N 287.771 4.779 30 10 CJEE COc1cccc(C2(C#N)CC3(CCCCCC3)C2)c1 86543318 LFWVRNYXGJGHOG-UHFFFAOYSA-N 269.388 4.591 30 10 CJEE Cc1ccc(Cl)c(OCCCCCCS)c1 87080432 WIBJVQIVTNMDHT-UHFFFAOYSA-N 258.814 4.517 30 10 CJEE CCCC1CCC(C#N)(Cc2ccn([C@@H](C)CC)n2)CC1 87959562 KFHHEMPLRAWNNW-HJOIGYKYSA-N 287.451 4.897 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccccc2C2CC2)c1 94527878 YQHPLAWSJYVXKZ-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CCCCCCCNCc1cccc(OCCCC)c1 100027344 GEMYYNIWCJLYHL-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE Cc1cc(Oc2cccc(F)c2C#N)ccc1C(C)C 105790462 QHIFBTBKHLLPTK-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCCOc1ccc(C(C)(C)C)cc1C[C@H](C)CS 107601696 WVZDEIRLLHZWRS-ZDUSSCGKSA-N 280.477 4.881 30 10 CJEE COc1c(C[C@@H](C)CS)cc(Cl)cc1C(C)C 107631249 ZCVHILZGEFYOAJ-SNVBAGLBSA-N 272.841 4.580 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1C[C@H](C)N 109763792 BQCRRCLRRMFSIW-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE CCCCCCCCO[C@H](CC)CNC(C)(C)C 110171119 HIBRBURFUWDWBJ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCc1ccccc1Nc1ccc(Cl)cc1C#N 110253156 FGFVRLQRITVNFL-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(Cl)cc2C)c1 110253525 AQFVJDXNVORZIN-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCCOc1ccc(C)cc1C=O 110311416 GOJXLIVSUULVPL-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CC[C@@H](Nc1cc(Cl)ccc1C#N)C1CCCCC1 110465530 BEKKFFJHYMZOQJ-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CC(C)[C@H](Nc1ccc(F)cc1C#N)c1cccs1 111762408 BNZNELXROJAIKN-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE CCCCCCCCCCn1ccc(CNCC)c1 117589726 FDFOCIYODUXTJZ-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE CCCCCCCCC[C@H](NN)C1C(C)(C)C1(C)C 122254807 ZNKRVPUOAJRVCX-AWEZNQCLSA-N 268.489 4.641 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1C(F)(F)F 122406491 HMIMAKXBEQBFPP-JSGCOSHPSA-N 297.320 4.925 30 10 CJEE CCCCc1ccc(Oc2cccc(F)c2C#N)cc1 126285415 SDIJSKFHWGWTMJ-UHFFFAOYSA-N 269.319 4.832 30 10 CJEE Cc1cc(NCC2(CC(C)C)CCCC2)ccc1C#N 126363500 ZHDLVIYQXXNDRW-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](OC)C(C)C 127655957 CFKJYLFUVQZXMO-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)Nc2ccccc2)CC1 130045551 FXTDNSRGCYGDKF-VMBOVVBDSA-N 270.420 4.843 30 10 CJEE CC1CCC(C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)CC1 130332535 GALLJRMHJAJSLT-WCWCZOKXSA-N 291.479 4.920 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@H](O)C2CCC(C(C)(C)C)CC2)C1 130338822 PDZLPHNIVVKSBY-AWQOMJGESA-N 277.452 4.530 30 10 CJEE COc1ccc(C#N)c(Oc2cc(C(C)C)ccc2C)c1 130511538 BTNKNCNGLOUXHI-UHFFFAOYSA-N 281.355 4.791 30 10 CJEE CCCCCCCCCCC[C@H](N)CCCOC 134130443 ASHRCCNDDWGMBN-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCCNC1=NC[C@H](CCC)S1 134498561 DSAMYYXETWJSJC-HNNXBMFYSA-N 284.513 4.988 30 10 CJEE CCCCCCCCn1c(C)cc2c1CCCC2=O 147325761 MUSPYHMHLIVGKA-UHFFFAOYSA-N 261.409 4.676 30 10 CJEE CCCCCCCCCc1nc2cc(C(=O)O)ccc2o1 156884525 OZJIDWGCMXOSHS-UHFFFAOYSA-N 289.375 4.819 30 10 CJEE CCCCCCC[C@@H](N)c1cc2c(s1)CCC2 158043938 WAQJJPWFGKMSPU-CYBMUJFWSA-N 251.439 4.597 30 10 CJEE CCCCCCCCCCn1cc(C)nc1CC 163192795 RPXKYJSYNMYBLF-UHFFFAOYSA-N 250.430 4.895 30 10 CJEE Cc1ccc(C#N)cc1NCc1ccc(C(C)(C)C)s1 166023765 RUTVXAXCWDEUFT-UHFFFAOYSA-N 284.428 4.838 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](NC)[C@H](C)C1 168652082 XKOJOLMKFOIWEW-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C#N 215060863 IZRLGIJTAMOTMF-ZBFHGGJFSA-N 276.811 4.838 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 217943518 RDXYZVDGFQDQCU-YYIAUSFCSA-N 264.457 4.605 30 10 CJEE CCCCN(CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222179857 VVTFBPOUNVNOAM-IXDOHACOSA-N 278.484 4.853 30 10 CJEE CCCCCCC[C@@H](CN)N1CCC[C@@H](C(C)(C)C)CC1 227429698 SOCUBDVNMYRUGY-MSOLQXFVSA-N 296.543 4.822 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(SC(F)F)cc1 228818489 LVPWUZWOZDDFPX-SNVBAGLBSA-N 257.349 4.768 30 10 CJEE CCCCCCCCC(=O)Cc1nc(C)c(C)s1 229284027 JVYZITJVWDDNRH-UHFFFAOYSA-N 267.438 4.622 30 10 CJEE CCCCCCCCCCOc1ccc(F)cc1CO 232935535 BALLCEHJHADWIT-UHFFFAOYSA-N 282.399 4.838 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](O)c1ccccc1 232949629 KQFNQINSDPANOH-MSOLQXFVSA-N 278.436 4.612 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C#N)c(F)c2F)c(C)s1 235563007 FRKQAZAOWKUXGX-VIFPVBQESA-N 292.354 4.688 30 10 CJEE CCCCN([C@@H](C)CC)[C@H](CC#N)c1ccccc1 249783360 GQEDAJGWWCQRTF-DOTOQJQBSA-N 258.409 4.542 30 10 CJEE Cc1ccc(COc2ccc3ccccc3c2C=NO)cc1 251446643 BFWOLSHYMSHSGD-UHFFFAOYSA-N 291.350 4.535 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@H](C#N)c2ccccc2)C1 251938294 VVYKAHFXPIFFJG-VNQPRFMTSA-N 259.418 4.606 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 253048308 ROLZSFKGXLWIKN-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CC(C)[C@@H](C#N)Sc1ccc(Cl)c(Cl)c1 259297870 TZGQTXYPEXCHKK-LLVKDONJSA-N 260.189 4.634 30 10 CJEE CC(C)c1cc(C(F)F)c(O)c([C@@H](CC#N)C2CC2)c1 260493116 LNORFJPBFTZNDX-LBPRGKRZSA-N 279.330 4.860 30 10 CJEE CC1(C)OB([C@H]2C[C@@H]2c2cccc3ccccc23)OC1(C)C 307522953 YIBKTSKVRUUIGK-SJORKVTESA-N 294.203 4.790 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCc2ccc(Cl)cc2)C1 308528893 RHPCICQUODJQAZ-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(C)cc(C)n1 311560134 MYSYGGXOUCGTEO-INIZCTEOSA-N 262.441 4.710 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(Cl)c1 311826708 KTTDEYPZJMSASQ-MRXNPFEDSA-N 277.839 4.820 30 10 CJEE CC1(C)CCC(Cn2ccc3ccc(C#N)cc32)CC1 313109062 OCDDQSSADVDZSE-UHFFFAOYSA-N 266.388 4.729 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)CCCCO1 315883563 KJCPXUJZEJXIMD-SFHVURJKSA-N 281.484 4.818 30 10 CJEE CC1(C)CCC(C=O)(Cc2cc(Cl)ccc2F)CC1 317300852 WXLVFRSAKSPNMI-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1cn[nH]c1 380898984 CZANOFFSVLEROA-KRWDZBQOSA-N 279.472 4.981 30 10 CJEE Cc1csc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)c1 381010720 JYMFOKQTLSORJE-HNNXBMFYSA-N 283.396 4.670 30 10 CJEE N#CCc1cc(-c2cc(Cl)ccc2Cl)cs1 381506833 FGDODATWEZAQQT-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE C[C@](C#N)(Nc1ccccc1Cl)[C@H]1CC2CCC1CC2 381817945 DYKFFZQHHXJNHI-TXBNBULBSA-N 288.822 4.860 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cccc(Br)c1 394972122 SFOYGJOCIJBCJA-IUODEOHRSA-N 292.220 4.712 30 10 CJEE CC(C)CCCCCCNC[C@H](C#N)C1CCCCC1 397123687 KLNQQHXKNKETSE-SFHVURJKSA-N 278.484 4.903 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1cccc(C)c1 401490683 GLTHALQPLCMMER-HYVNUMGLSA-N 256.393 4.516 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]2C[C@@H]2C1 403433519 ZJDHZHFQXMLPAH-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE O=C1C=C(c2cc(C(F)(F)F)ccc2Cl)CCCC1 406035236 PMGJUBNANXOTHP-UHFFFAOYSA-N 288.696 4.885 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCC1=CCCC1 666866390 OGMPVTSBZKXYRO-UHFFFAOYSA-N 298.430 4.770 30 10 CJEE C[C@H](Nc1cccc(F)c1Cl)c1ccc(C#N)cc1 690256868 GUDUWZIOFHEXAD-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)c1ccc(C#N)c(Cl)c1 691055169 KSBPNTVSXWMUPY-BLLLJJGKSA-N 276.811 4.617 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 691780426 VESRMKZQZGRZCX-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1c(N)ccc(Cl)c1F 692250518 GJMZBSQANDREJI-ZWNOBZJWSA-N 282.790 4.608 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCC2(CC2)C1 695987705 AMPYNLLIVUAIJA-CVEARBPZSA-N 266.473 4.539 30 10 CJEE Cc1ccc(N(C)[C@H]2CCCC(C)(C)CC2)c(C#N)c1 697535466 LJWYSFQPRCIGNH-INIZCTEOSA-N 270.420 4.662 30 10 CJEE CCCCCCCC[C@H](N)[C@H](C)Oc1ccccc1 700691149 KVETUYSLMHHVHN-RDJZCZTQSA-N 263.425 4.532 30 10 CJEE CCCC1CCC(C=O)([C@@H]2CCCC[C@H]2C)CC1 704934214 YPTGWGUEGAGDMS-KZYLPZIUSA-N 250.426 4.988 30 10 CJEE CCCCCCCCOC[C@H](N)c1cccc(Cl)c1 709510753 BBCOEKKUNZWRRK-INIZCTEOSA-N 283.843 4.717 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)cc(C(F)(F)F)c1 715041392 WTLCQTDMAXQCOE-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1sccc1Cl 715786316 HYRKKFBQNDUKAO-CMPLNLGQSA-N 257.830 4.654 30 10 CJEE CCSc1cccc(NCC[C@@H]2CC[C@@H]3C[C@H]23)c1C#N 717029334 AGUHHNGJYZVEAP-BFHYXJOUSA-N 286.444 4.518 30 10 CJEE CCCCCCCCCC[C@H](NN)C1C2(CC2)C12CC2 720287402 IBQDMUBQAFFNKP-HNNXBMFYSA-N 278.484 4.539 30 10 CJEE C=C1CCC(CNc2ccccc2C(F)(F)F)CC1 724554092 SETYDOQZPCCTNK-UHFFFAOYSA-N 269.310 4.864 30 10 CJEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(F)cc1 821219573 ODOBUFNEEHFQMH-KNTRCKAVSA-N 291.753 4.810 30 10 CJEE C=CCC(CC=C)C(=O)Oc1ccc2ccccc2c1OC 1129117537 CKDDGKHRIFKOJD-UHFFFAOYSA-N 296.366 4.522 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)C1CCC(C)CC1 1134728363 KOOFHNXGLSIPSV-FOIPXRHGSA-N 291.479 4.796 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)CSCCC 1181163533 RHFSMCHZWJDWBI-AWEZNQCLSA-N 263.450 4.749 30 10 CJEE C=CCOCCN(C1CC1)[C@@H](C)c1ccc2ccccc2c1 1190883953 PXJSAOQODVBFEH-INIZCTEOSA-N 295.426 4.568 30 10 CJEE N#CCc1cccc(-c2ccccc2C(F)(F)F)c1F 1239545162 MZVZBGLIUJOMBS-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@@H](CC)c1ccc(C)cc1 1289491842 FTKUYTBECKGBRB-MJGOQNOKSA-N 299.458 4.836 30 10 CJEE CCCCCCCCCN1CCC[C@H](C2CC2)C1 1307812577 IJHAKLVKDYTNAV-KRWDZBQOSA-N 251.458 4.859 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(OCC(C)C)cc1 1308486052 IIHZZZXUOGGIRF-UHFFFAOYSA-N 289.463 4.803 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(F)c2cccnc12 1460408722 JPTPWYJPELAAQH-KSSFIOAISA-N 298.405 4.598 30 10 CJEE CCCCCCCCN1C[C@H](c2ccsc2)O[C@H](C)C1 1473271467 BQNANULQUBDNHT-NVXWUHKLSA-N 295.492 4.870 30 10 CJEE C=CCC[C@@H](CCC)NCC(C)(C)C(F)(F)CC 1474665194 VUKXPIGPVGVRGW-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@@H]1CCCC[C@@H]1C 1477696288 MILLCQCLOKDBBZ-IRXDYDNUSA-N 294.483 4.639 30 10 CJEE C=CCCCCCCCCNC(=O)[C@]12CCCC[C@@H]1C2 1524262064 HSKDBOIEKRJOOK-AEFFLSMTSA-N 277.452 4.600 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@H]2CCCCC2(C)C)c1 1528445125 PQCYIDYNCBQURN-QGZVFWFLSA-N 297.442 4.627 30 10 CJEE C=C(C)C(C)(C)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1531482821 GFVDAFDMRINGJP-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CCCCCCCNC(=O)CC(C)(C)c1ccccc1 1532061371 VUVORIKVPHQOFF-UHFFFAOYSA-N 287.447 4.607 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)c1ccccc1C 1532324722 JYQQHFOHQJBDGW-SCTDSRPQSA-N 299.458 4.740 30 10 CJEE C=C[C@@H](CC)CC(=O)NCc1ccc(C(C)(C)CC)cc1 1534471736 QLVIEZYTFNTVDW-HNNXBMFYSA-N 287.447 4.593 30 10 CJEE CSc1ccccc1C#Cc1c(F)cccc1Cl 1614826351 PJUJUPRBMOLEFD-UHFFFAOYSA-N 276.763 4.601 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCc2ccccc2C1 1621193295 COEIBKIEQIQFMH-LJQANCHMSA-N 297.486 4.860 30 10 CJEE C=CCCCN(C1CC1)[C@@H](C)c1ccccc1Cl 1641707297 IRKZICJYVCZGAA-ZDUSSCGKSA-N 263.812 4.832 30 10 CJEE C=CCC1(CNc2ncnc3scc(C)c23)CCCC1 1642684326 QXZZQAGSMFLJGV-UHFFFAOYSA-N 287.432 4.548 30 10 CJEE C#CC[C@@H](NCCCc1ccccc1Cl)c1ccccc1 1645100959 YKHFNNRHEGZWOT-LJQANCHMSA-N 297.829 4.627 30 10 CJEE C=CCC[C@@H](CC)NCc1nc(-c2ccccc2)cs1 1652583417 VSNXSNIJKDHXSC-OAHLLOKOSA-N 286.444 4.645 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@H]1CCC[C@H](c2ccccc2)O1 1656376829 FODYHKJNTCYZSD-VAMGGRTRSA-N 299.458 4.727 30 10 CJEE C=C(C)CCN[C@H](CC(C)C)c1ccccc1OCC 1657936385 JAQHTWXPENPOSP-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCC[C@@H]1CCCC 1658853083 WEZBRXUGCHEXSI-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cc(C)cc(Cl)c1 1658927680 WVYQZSMOZFDBJD-UHFFFAOYSA-N 285.818 4.837 30 10 CJEE C=CC[C@H]1N(CCCCC(C)C)CCCC1(C)C 1659621868 AHCLIXNRFRIMIK-MRXNPFEDSA-N 251.458 4.879 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@]1(C)C[C@@H]1c1ccccc1 1659642118 SOMQDILZHLTJAI-ZGXWSNOMSA-N 283.459 4.905 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc2ncccc12 1665606077 HXPHNKMGVHSTCQ-INIZCTEOSA-N 282.431 4.849 30 10 CJEE CCCCC[C@@H](CC)Nc1ccc(C#N)c(F)c1F 1879301774 VNEFGYNYVPBZBZ-GFCCVEGCSA-N 266.335 4.607 30 10 CJEE C=CCCN(CCC(F)(F)CC)Cc1ccccc1 1880996049 XQOSKDOKULPGPW-UHFFFAOYSA-N 267.363 4.500 30 10 CJEE Cc1ccc([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1Cl 1885275285 TWZMBTDUKBLFHD-OLZOCXBDSA-N 292.615 4.598 30 10 CJEE C=CCC(CC=C)SCC1(Br)CCC1 1886257244 PEJUMHAHAGFOEB-UHFFFAOYSA-N 275.255 4.558 30 10 CJEE C#CC[C@@H](C[C@H](N)c1cc2sc(C)cc2s1)C1CC1 1887464941 QCLARJVTPJWOII-STQMWFEESA-N 289.469 4.711 30 10 CJEE C=C(c1ccccc1)[C@H](CC1CC(C)(C)C1)NCC 1888690666 ZDJPNHHJTXUTPQ-KRWDZBQOSA-N 257.421 4.504 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]2C=C[C@H]1CC2 1892511138 SBISQGSPKWQXKO-IHPCNDPISA-N 281.443 4.667 30 10 CJEE CC1CCC(CSC[C@@H](CS)C2CC2)CC1 1899440197 QJXAGNAVNWFXIJ-ORHYLEIMSA-N 258.496 4.502 30 10 CJEE CCCCCCCCCC(=O)C=Cc1ccc(N)cc1 1911823769 QWWDZXOUOKMZCV-UHFFFAOYSA-N 273.420 4.992 30 10 CJEE C=CCCCCCCNCc1ccc(F)c(Cl)c1F 1912879748 ANVULPDLHOAKED-UHFFFAOYSA-N 287.781 4.844 30 10 CJEE N#CC1([C@@H](O)c2ccc(F)c(Cl)c2F)CCCCCC1 1913083723 UHDWTWPQZSBKBS-AWEZNQCLSA-N 299.748 4.516 30 10 CJEE CCCCCCC[S@@](=N)(=O)c1ccc2c(c1)CCC2 1917884744 BJYFMCFPXWPMQL-LJQANCHMSA-N 279.449 4.551 30 10 CJEE CCCCCCCCC[S@](=N)(=O)[C@@H](C)C(C)C 1917996194 JCTYVTKNBIRYTH-YOEHRIQHSA-N 261.475 4.828 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H]1OCC[C@H]1C 1918110253 ONRFOOZEJGGZFZ-IXDOHACOSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@](C)(N)Cc1c(F)cccc1F 1919520090 ADNFTUKSYRLDDR-INIZCTEOSA-N 269.379 4.585 30 10 CJEE C=C([C@H](NCCC)c1cccc(OCC)c1)[Si](C)(C)C 1922990045 QNRUBTIYKKUGEV-KRWDZBQOSA-N 291.511 4.560 30 10 CJEE C=C(Br)CCSc1cc(C)ccc1C 1955991373 JWUUVVDDXFWERM-UHFFFAOYSA-N 271.223 4.694 30 10 CJEE C=C(C)CCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 1962785917 NCHCDLGFSSQOLC-HNNXBMFYSA-N 259.437 4.991 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1nc2ccccc2s1 1964130199 QIYFQQAMWLBZQL-QWHCGFSZSA-N 274.433 4.692 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCCC2(CCCCC2)C1 1969585573 NLXQNICLRVSLLW-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CNc1ccc(C#N)c(Cl)c1 1971809539 BLGNYCYXSWASPU-WHOFXGATSA-N 288.822 4.696 30 10 CJEE CCC[C@](C)(C#N)Cc1cccc(C)c1Br 1978648097 NXTAAAWFVICPKX-AWEZNQCLSA-N 280.209 4.630 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(Br)c1 2003678815 GNCTZLCSANQESB-OAHLLOKOSA-N 296.252 4.976 30 10 CJEE CCCC1CC(C#N)(c2ccc(Br)cc2F)C1 2025615212 SICXAYOKJSFDIM-UHFFFAOYSA-N 296.183 4.560 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2CCC[C@H]21 2028785316 CAKRLDOFPDWRBC-VQHPVUNQSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCC1(F)CCC(CN)CC1 2030040366 RVZSTYRBNKNUKZ-UHFFFAOYSA-N 257.437 4.984 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(C)CC1(F)F 2036116758 KJJAELNBCMPQDD-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@H](N)c1csc(C(C)(C)C)n1 2037107042 UGGKOQMVJYEXFJ-LBPRGKRZSA-N 268.470 4.801 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)C1(C)C(C)(C)C1(C)C 2040522005 KQOIKLGCQMQAKU-ZIAGYGMSSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2CSC[C@@H]2C1 2042845113 UXPBIJCUGJKGNA-ZSHCYNCHSA-N 269.498 4.598 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@]1(C)C(F)(F)F 2043489431 IOCBMFYNAPGWQR-YNEHKIRRSA-N 265.363 4.666 30 10 CJEE CC1(C)CCC[C@H](Oc2cccc(Cl)c2C#N)C1 2045469249 NIHHEQQOOWFYOB-NSHDSACASA-N 263.768 4.559 30 10 CJEE C=CC1(CC(CC)(CC)CNC(C)(C)C)CCC1 2049040459 NVWPKIYYYDMPTB-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@]1(F)C[C@H](CN)C12CCC2 2053036388 JEIYKAGKIMNDLP-ZBFHGGJFSA-N 255.421 4.594 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C=O)CCCCC2(C)C)C1 2053397820 PUGHTJWHEWNACV-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CC(C)(C[C@@]1(C=O)CCCCC12CCC2)C(F)F 2053409573 ANIOXKPAOQNGAP-OAHLLOKOSA-N 258.352 4.597 30 10 CJEE C=C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2058798241 ZWKMSMNLPHFANI-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(Cl)cc(F)c1F 2059111118 HPHGPRUXAXYOFV-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC(F)(F)C1 2063418878 KOMDWGJMMLOOQS-FQUUOJAGSA-N 253.336 4.532 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)CCCOC1(C)C 2066882058 YQUAOSQRZXFEHP-GOEBONIOSA-N 251.414 4.692 30 10 CJEE CC1(C)CC[C@@](C)(Nc2cc(Cl)ccc2C#N)C1 2073045387 IGKYNIQOLIQKFF-OAHLLOKOSA-N 262.784 4.592 30 10 CJEE CC#CCCC[C@H](C[C@@H](C)CC(C)(C)C)NCC 2073670649 MDHHUMYJIQMVDM-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CCCCCCCC[C@@H](NC)C1(C)CCSCC1 2073839099 BXJLGQPFCJOSEO-OAHLLOKOSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCN(C)C[C@H]1[C@H]2CCC[C@H]21 2074944769 GZBXBWHYEAAMID-BJWYYQGGSA-N 251.458 4.715 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1CC12CC2 2075040270 KUFAJNJSSLLGPV-INIZCTEOSA-N 251.458 4.859 30 10 CJEE CCCCCC#CC[C@]1(O)CCCCCC1(C)C 2083386567 TWEQQJRJZIHAJM-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE C=CCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 2085850880 ZYZRPJCSWBDHKR-CABCVRRESA-N 286.506 4.709 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1cccs1 2086280961 NITOBWVHJCKLMW-CQSZACIVSA-N 266.454 4.559 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1(CCF)CC1 2086281942 BUDOZAWFVLWEFI-OAHLLOKOSA-N 255.421 4.760 30 10 CJEE CC(C)c1ccccc1C[C@]1(C#N)C[C@H]2CC[C@H]1C2 2087756666 LJTZJWLTANVULX-ZVZYQTTQSA-N 253.389 4.682 30 10 CJEE CC(C)CC[C@@H](C)[C@]1(C=O)CCCc2ccccc21 2090302650 OBQFRJHKCPNQOL-CRAIPNDOSA-N 258.405 4.532 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)c1ccc(C)s1 2090888318 ZCTWNPRUQUDXDQ-CQSZACIVSA-N 282.449 4.741 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](N)CC#CC1CCCCC1 2093459345 FUHWHZLZZFIXBD-KRWDZBQOSA-N 275.823 4.622 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCCCCC1(F)F 2096453812 TZVWJPANTVAYGJ-CQSZACIVSA-N 273.411 4.927 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@]1(CC)CC1(F)F 2097378905 KUJJCURQKWDPEF-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H]2CCCC(F)(F)CC2)CC1 2099614628 SIUSCTUDQXFUNN-LSDHHAIUSA-N 271.395 4.666 30 10 CJEE C[C@@H]1CCC[C@@H]([C@@H](N)CC#CC2CCCCC2)CC1 2100857832 AUHCANQLWRFGHA-NXHRZFHOSA-N 261.453 4.504 30 10 CJEE C=C(CC)C[C@H](NCC)C1CC2(C1)CC1(CCC1)C2 2100954455 ZZOYUKSLCGENEF-INIZCTEOSA-N 261.453 4.681 30 10 CJEE C[C@H]1CCC[C@H](CNc2cccc(Cl)c2C#N)CC1 2103265302 MCMYDQZABWUSQR-STQMWFEESA-N 276.811 4.840 30 10 CJEE C=C1CC(CNCC(C)C)([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 2103343302 BJUXQTQFQXJGIC-BRWVUGGUSA-N 263.469 4.641 30 10 CJEE C=CCC[C@@H](NCC)c1ccc2ccccc2c1C 2105121922 IOJLDILNPOLREU-GOSISDBHSA-N 253.389 4.765 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1cc(C)cc(Cl)c1 2108004094 MYXIOQSGSNQAAU-INIZCTEOSA-N 293.914 4.570 30 10 CJEE CCCC[C@](C#N)(CC)[C@]1(O)CCCCC[C@@H]1CC 2108216534 SDKLDDQRAWLJNA-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE C=CC1(C[C@H]2CCC(C)(C)C[C@@H]2NCCC)CCC1 2111717412 DHYCIISOBHELJM-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H](C)C1CCC(C)(C)CC1 2112197934 RGEUTPSOHUFULQ-HOCLYGCPSA-N 285.541 4.725 30 10 CJEE CCCC[C@](C)(C#N)[C@@H](O)c1ccccc1C(C)C 2117610458 CUBAJLRHFBXMKL-DLBZAZTESA-N 259.393 4.563 30 10 CJEE CCCCCCCCCOCCCC1CCNCC1 2119607374 NEIDHMDIJFODJJ-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CC(C)C1CC(C[C@]2(C=O)CCCCC23CCC3)C1 2120308205 WYQIAHNATZFGGN-HTWSVDAQSA-N 262.437 4.988 30 10 CJEE Cc1cc(Sc2cc(Cl)c(C#N)cc2F)ccc1O 2120879689 OTDHAUJOWNUEDR-UHFFFAOYSA-N 293.750 4.516 30 10 CJEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)c1ccccc1 2120887533 NYKVCXHBIHRISA-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC1(C)CCC[C@@H](Nc2cc(Cl)c(C#N)cc2F)C1 2120891794 TYFFIVLNPWFFPD-LLVKDONJSA-N 280.774 4.731 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2122684363 LBBVCXCEMLAOSO-ZANVPECISA-N 292.728 4.995 30 10 CJEE CCCCCC1CC(Nc2ccc(C#N)c(C)c2)C1 2123468335 INKNBVHWQPNXBL-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE C=C1CC(C[C@@H]2CCCCC[C@@H]2CNCC(C)C)C1 2125688377 NCXODNYVQWSSGH-ZWKOTPCHSA-N 263.469 4.785 30 10 CJEE C=C1CC(CC(=O)c2ccc(C(F)(F)F)cc2Cl)C1 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2271837281 QVEYMMQQSUZUKC-BRWVUGGUSA-N 267.432 4.726 30 10 CJEE CSCC1(C[C@]2(C#N)CCCC[C@@H]2C)CC(F)(F)C1 2273945595 ZOSJAMADEDKGGM-JSGCOSHPSA-N 287.419 4.875 30 10 CJEE CC[C@@](N)(C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2273991528 LOTNBKXHCKYRFQ-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE C[C@@](N)(CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274181279 OAVUMXCKUWFKFW-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE C=CC[C@@H](C)[C@H](OCCCN)c1cc2sccc2s1 2276663131 WAQKDMTVGXUUPB-ABAIWWIYSA-N 295.473 4.582 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC(C)(C)C1 2276761679 MHPSXURERMNRAZ-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](OCCN)C1(C(C)C)CCC1 2276763964 IOVKISHFYDIEMS-INIZCTEOSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(CC(C)C)OCCN 2277290145 LDFVNDJWGGNMIT-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C[C@H]1CC[C@H](C2CCC2)CN1CCCCCCCS 2277507448 LPVPNMMYGOMOLH-RDJZCZTQSA-N 283.525 4.767 30 10 CJEE C[C@H]1CN(CCCCCCCS)[C@H]1c1ccccc1 2277507888 QSPMURCSPCUVKT-DOTOQJQBSA-N 277.477 4.560 30 10 CJEE CCC#C[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2277864319 RDHFSONKDFIAPN-LLVKDONJSA-N 289.366 4.529 30 10 CJEE C=CC1(CNCc2ccc(C(F)(F)F)s2)CCCC1 2277878000 GPKZQPLNHOULKE-UHFFFAOYSA-N 289.366 4.603 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CC)NCCC 2278234620 IKRHVFSDPYXKMV-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@]1(C)CC(=O)N[C@@H]1CCC 2278246728 KKETXOZCVDFSFU-NVXWUHKLSA-N 267.457 4.822 30 10 CJEE CCC1(OCC[C@H]2CCC[C@@H](C)C2)CCC(=NO)CC1 2279799056 JNTPFBFTMILOJC-BLBXNVQISA-N 281.440 4.772 30 10 CJEE CC1CC(CS)(CN(C)C2CCC(C3CCC3)CC2)C1 2280059137 YNMNKPDEHFVDCI-UHFFFAOYSA-N 295.536 4.623 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc2sccc2c1 2284136827 HESPXUNNGNTORC-INIZCTEOSA-N 284.424 4.931 30 10 CJEE C=CCCCCCCCSCC[C@@](C)(C#N)NC1CC1 2287097556 XGHRJUVQXYZMPS-KRWDZBQOSA-N 294.508 4.671 30 10 CJEE C=C(C)CCCC[C@H](NC)C(CC)(CC)N(CC)CC 2287412340 CHWLKVSEJZFTDA-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H](O)[C@H](CC)CCC 2287672474 HBDBVBYJJIWGCP-SQNIBIBYSA-N 283.500 4.808 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1ccc(C#N)c(F)c1 2287921000 UAVRDJHYFQSZEK-CQSZACIVSA-N 276.399 4.962 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCCC1 2289693539 ODEVTWLGDKLJLV-GUDVDZBRSA-N 273.464 4.504 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CSC1CCCC1 2289714799 XDMUTQYBJWYXIX-QGZVFWFLSA-N 293.520 4.614 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccccc1SC 2289851023 BHMPUVQBXZRDNC-KRWDZBQOSA-N 287.472 4.643 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1(C(C)(C)C)CCC1 2289851247 DMDPDFMEQNLXMO-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@H](C)[C@H](C)C1 2290917432 IHOPQIUYFLXIMP-UXLLHSPISA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CC 2291820019 VLWIWHGPXCRKML-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)[C@@H](CC)C(C)C 2292427126 PGFKRKDGJFNAET-JKSUJKDBSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC1(OCCCN)C[C@H](C)C[C@@H](C)C1 2292891089 GHXKBMMMRJLAQE-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)C1CC1)OCCCN 2292915999 MOCJCESVXLXAJG-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@]1(OCCN)C[C@H](C)CC(C)(C)C1 2294034293 YCHZKHHSPQGTTC-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)C(CC(C)C)(CC(C)C)OCCCN 2294231602 RZSJTJZMGYFYRO-KRWDZBQOSA-N 283.500 4.785 30 10 CJEE CC1(C)CCC[C@H](C(=O)C#Cc2ccccc2Cl)CC1 2295155547 SLHBPJPHQMNIDJ-HNNXBMFYSA-N 288.818 4.867 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@H](C)CCC[C@@H]1CN 2295536777 RRKQQVBBANFKIA-RCCFBDPRSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ncc(Cl)n1C 2295675886 GJCPVEYXDCOAMW-CQSZACIVSA-N 299.890 4.692 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@]1(C#N)CCCSC1 2295692640 YRBQBEYBWUOYMK-DLBZAZTESA-N 297.508 4.915 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(NCCC)C(C)C 2295766168 KRUUKFIEJZEIBS-IAGOWNOFSA-N 298.540 4.854 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1ccc2ccsc2c1 2296011541 VQLPXIDKECFWBI-OAHLLOKOSA-N 290.428 4.805 30 10 CJEE CC(C)Oc1ccc(C=C2CCc3ccccc3C2=O)cc1 2297473462 SSVDLFBJSXUUJZ-UHFFFAOYSA-N 292.378 4.686 30 10 CJEE C=C(Cl)C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2302209917 NGSBKYNHCYLDMD-NSHDSACASA-N 296.600 4.926 30 10 CJEE COCCCCCCSC[C@@H](CS)CC(C)C 2308064836 ZKXKDPBZAHRHIE-CQSZACIVSA-N 278.527 4.519 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCC(F)(F)C1 2312946760 QBTVCQRWGPWEPC-RFGFWPKPSA-N 253.336 4.532 30 10 CJEE CC1CCC(CS[C@@H]2C[C@H](C)CC[C@@H]2C#N)CC1 2313811320 WWMAQSCAHYMVPC-JREQNMATSA-N 265.466 4.874 30 10 CJEE C=CCC(CC=C)[C@H](N)Cc1ccc(Cl)c(Cl)c1 2316739407 RFIKTAXABRHHPL-OAHLLOKOSA-N 284.230 4.632 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(Cl)c(F)cc1F 2316748714 COGOUBPCFJHVEX-UHFFFAOYSA-N 270.706 4.569 30 10 CJEE CN(c1ccc(Cl)cc1)c1ccc(C#N)c(Cl)c1 2317037424 RSVIMZHGDGLZQP-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@H](C)[C@@H](C)C(C)C)C1 2317830123 FEZFHXBMYVSMQF-LSDHHAIUSA-N 251.458 4.639 30 10 CJEE C=C1CC(C[C@@H](O)CCc2cc(Cl)cc(Cl)c2)C1 2318639626 REXAVNDLVWOJTN-HNNXBMFYSA-N 285.214 4.643 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(C)(C)C(F)F)NCC 2321141573 PCHBMDDJJZVZOD-DOMZBBRYSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1CC(C(C)(C)C)C1 2321221561 AXJGXOFQHGHEFC-BOXZVXIZSA-N 252.442 4.802 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@@H](C(F)(F)F)C1 2327675500 MOUPKOAXXAZFEX-TXEJJXNPSA-N 264.331 4.895 30 10 CJEE N#CC1(CC2CCC(CC(F)(F)F)CC2)CCC1 2327944242 ADJUEZHSZIYEGA-UHFFFAOYSA-N 259.315 4.829 30 10 CJEE CC(CCc1ccccc1)=NOCc1ccc(Cl)cc1 2329919199 YUBOQCWXQWHPFP-UHFFFAOYSA-N 287.790 4.865 30 10 CJEE C=CC1(C[C@@H](N)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1 2329946498 ROVFIWGCHTYWKA-LUKYLMHMSA-N 261.453 4.667 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CNCCC 2335243944 CDKPCQUQMNHXGX-NSHDSACASA-N 285.403 4.521 30 10 CJEE Cc1c(C[C@]2(C#N)CCCOCC2)ccc(Cl)c1Cl 2338667239 RMTWRNFTDHPKPE-HNNXBMFYSA-N 298.213 4.555 30 10 CJEE C=CCC(CC=C)[C@H](NC)C(C1CCC1)C1CCC1 2338731947 FDFRYCAPPNZSHR-SFHVURJKSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccsc1C(F)(F)F 2338736327 SYJGWHCOITUGGF-LBPRGKRZSA-N 289.366 4.796 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCC12CCC2 2339251407 RXWUJOCTHFBXKP-CBZIJGRNSA-N 255.405 4.843 30 10 CJEE CCCC[C@H](C)CC[C@@H](C#C[C@H]1CC1(C)C)NCC 2339581887 LZOFTIZLKLJAST-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@]2(C)CC=CCO2)CC1 2339859179 VOVSCFJPXLTVDX-IAGOWNOFSA-N 261.409 4.612 30 10 CJEE CCC[C@@H](CS)CN(C)Cc1cccc(C(C)C)c1 2343713262 MJASQZGWRMILKJ-MRXNPFEDSA-N 279.493 4.588 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1cccc(C2CCC2)c1 2343802003 SGFLWDNGMNPZIV-RDTXWAMCSA-N 256.389 4.502 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2cccc(C3CCC3)c2)C1 2343802907 XHCMRMBUQNZQFG-KDOFPFPSSA-N 256.389 4.502 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(F)c(F)c1C 2344341508 CDCGFAIXPAJRPK-HZPDHXFCSA-N 267.363 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)c(F)c1F 2344358748 WJUMLVRQSVSCKE-GJZGRUSLSA-N 287.781 4.871 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CCC2(CC1)CC2)NC 2344372143 PPECPAVMBFKCPQ-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(CC2CC2)c1 2344458679 ZRFMZKYSGSJVJC-ZWKOTPCHSA-N 258.405 4.665 30 10 CJEE CN(C[C@@H]1CCC(C)(C)C1)C[C@@](C)(CS)C(C)(C)C 2352071719 IUNQNSWOBIDLKC-PBHICJAKSA-N 285.541 4.727 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CC(C)(C)C1(C)C 2352320141 WQHBMXHFXVLLHS-GUYCJALGSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CCC[C@@H]1C[C@@H]1C)NCC 2356072389 NDHVGQWBQVFMRF-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1OC 2358323816 YJPIEXXHUPSWSJ-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1C[C@@H]2CC[C@H]1C2 2359318534 AASDTTNTEUJZAI-VSZNYVQBSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(C)c(F)c1 2360202259 RVORMBSEMAPOHP-QGZVFWFLSA-N 293.451 4.649 30 10 CJEE C[C@@H](Nc1ccc2sccc2c1)c1cccc(C#N)c1 37282593 FLOGJSZYIBENGL-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)cc1 37393192 QVQWCZJLGPALBZ-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE Cc1ccccc1N[C@]1(C#N)C[C@H](C)CC(C)(C)C1 37937888 JYJZMOHMJYGQFL-CXAGYDPISA-N 256.393 4.516 30 10 CJEE C=C(C)Cn1c([C@H](C)Oc2ccccc2)nc2ccccc21 39899800 PBYWCWRIRPGLEU-HNNXBMFYSA-N 292.382 4.752 30 10 CJEE COc1cc(Cl)c(C)cc1N[C@H]1CCCCC[C@@H]1C#N 54823180 MPFNSFPXSMGUOV-OCCSQVGLSA-N 292.810 4.541 30 10 CJEE CCc1ccc(OC)c([C@@H](C#N)[C@@H](C)c2ccccc2)c1 57746909 WRIKBBLEMMGSJQ-KSSFIOAISA-N 279.383 4.668 30 10 CJEE N#CCCCn1c(/C=C/c2ccccc2)nc2ccccc21 57868938 MNNWXNUIWRYYQA-OUKQBFOZSA-N 287.366 4.510 30 10 CJEE CCCCCCCCCNCCc1ccccc1F 59088865 QMVAWQKPYMSDFW-UHFFFAOYSA-N 265.416 4.708 30 10 CJEE Cc1ccc(/N=C/c2ccccc2C)cc1Br 59519051 RZBAVERXVAOFCA-LICLKQGHSA-N 288.188 4.817 30 10 CJEE N#C[C@H](CNc1cc(Cl)cc(Cl)c1)c1ccccc1 83860918 DBLZUWIRBPFFSH-GFCCVEGCSA-N 291.181 4.713 30 10 CJEE C=CCC[C@@H](CSc1cccc(Cl)c1)NCCC 90239488 JJPSSCHUTYYBHO-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(C)cc2C)CC1 91882521 VLIDKVSAMOSOOM-AVAKVYKDSA-N 285.431 4.837 30 10 CJEE CC(C)N(Cc1cccs1)C[C@H](CS)C(C)(C)C 94580892 VJKAWWLZQQCFMO-CYBMUJFWSA-N 285.522 4.551 30 10 CJEE CCCC[C@H](CC)COC[C@H](CS)C(C)(C)C 94584022 OUOSYNYRNVKIFW-UONOGXRCSA-N 260.487 4.812 30 10 CJEE C=CCC[C@@H](NCCC)c1oc2ccc(F)cc2c1C 97220777 WRBTVDQSKIWIHW-OAHLLOKOSA-N 275.367 4.887 30 10 CJEE C=C(C)CC[C@@H](N)c1cc2cccc(Br)c2o1 97419682 JYZNMWHUOSOSIS-GFCCVEGCSA-N 294.192 4.551 30 10 CJEE N#C[C@]1(NC2CCCCC2)CCCC[C@@H]1c1ccccc1 97898548 XMWURISEHGPAQL-RTBURBONSA-N 282.431 4.529 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1C#N 104149923 KPTLWZVXVXRSFZ-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CC#C[C@H](C)Cc1cc(C(C)(C)C)ccc1OCC 107601067 GNZJMQXGEKGQDH-AWEZNQCLSA-N 258.405 4.585 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnccn1 107685627 QXCFUKJWPNCIBJ-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE C=CCOc1ccccc1CN[C@H](CC)C1CCCCC1 109951850 YDEFCGVEZYNRQZ-GOSISDBHSA-N 287.447 4.700 30 10 CJEE CCCCCCC[C@H](Nc1ccccc1Cl)C(=O)O 110318888 YFMPCLNTWCZYBZ-AWEZNQCLSA-N 283.799 4.566 30 10 CJEE C[C@H]1CCC[C@@H](SCc2ccc(C#N)cc2F)C1 110354819 ZMCPLSCTQHNTDH-SMDDNHRTSA-N 263.381 4.509 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(C)CC2CCCC2)C1 110836770 SQPPTDNURXSNNR-OKZBNKHCSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1CCCO1 114993995 ICCIAGNJGMTCJQ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H]1CCOC1 114996041 NXMVHMUOWPNJQI-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCC[C@](C)(CN)[C@H](C)O 115032261 UDOMGLLSFBHJKB-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCCCC[C@H](O)[C@H](CN)CC(C)C 115863116 GFMAZQUPARYECN-ROUUACIJSA-N 285.516 4.889 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1ccc(C)cc1 117326770 TUBPTSNUABTNDR-GOSISDBHSA-N 262.437 4.897 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(CC)N1CCCCC1 118163961 JUWCEEYKLNVCES-RTBURBONSA-N 296.543 4.980 30 10 CJEE C#CCCC[C@H](NCCC)[C@H](c1ccccc1)[C@@H](C)CC 122905902 MASOTVMHZFPKHR-IHPCNDPISA-N 285.475 4.988 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1 125661957 TYZCGTULHZGZRC-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCC[C@@H](CCCCCCC)NN 130069455 FYWHSANYKIYBLV-MRXNPFEDSA-N 256.478 4.929 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H](OC)C1CC1 130894040 DZPRAMVIFXLCEK-QZTJIDSGSA-N 298.515 4.554 30 10 CJEE CCCCCCCC[C@H](N)[C@H](OCC)C(C)(C)C 131488800 UYVSXWQNQNZTPE-GJZGRUSLSA-N 257.462 4.516 30 10 CJEE CC(C)c1ccc(Sc2cc(C#N)ccc2[C@@H](C)O)cc1 131720788 XZRJTRBJVYLWCW-CYBMUJFWSA-N 297.423 4.886 30 10 CJEE Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2ccc(C)c(C)c2)c1 133970425 QYEDZKJDYCXGSR-KRWDZBQOSA-N 297.785 4.755 30 10 CJEE C=C(CNCC1(CC(C)C)CCCC1)c1ccccc1 148056995 LWTKJXOLEJMHOF-UHFFFAOYSA-N 271.448 4.896 30 10 CJEE N#CC1(C[C@H]2Cc3cc(F)ccc3O2)CCCCCCC1 156740774 JYBKRKFVHOLFOI-MRXNPFEDSA-N 287.378 4.774 30 10 CJEE C=C(C)CC[C@@H](NC)c1c(Cl)cccc1Cl 156924537 CBGMRSDLKMAEII-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1cc(Cl)ccc1Cl 158824242 PRSGXAYJBARGGM-OAHLLOKOSA-N 286.246 4.726 30 10 CJEE CCCCCCCCNc1cc(NCCC)nc(CC)n1 159054638 VSAYKDUBERTILX-UHFFFAOYSA-N 292.471 4.633 30 10 CJEE C[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164489445 HDNDJTMGSCPLES-HZMBPMFUSA-N 283.293 4.535 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 164932728 GEFLTGHKHADRBG-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccnn1CCC 165514901 RSUHLWOBDOUTJX-INIZCTEOSA-N 279.472 4.694 30 10 CJEE C=CCC[C@@H](NCCC)c1cc2sccc2s1 167773195 CNDGUFKFZNDZTA-LLVKDONJSA-N 265.447 4.970 30 10 CJEE CCCCCCCCCCCC[C@H](C)[C@H]1CNCCO1 168465884 VRYKBVVYJNSQNB-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1ccccc1Cl 211813187 VXCDFWBGROUOEF-CQSZACIVSA-N 277.795 4.733 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C 218036339 LCPVNYKJIDLRAX-QITLCBANSA-N 288.410 4.879 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 221775730 QIIVKPLOZAOAFQ-SAKMYQHLSA-N 284.447 4.670 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2ccc(C)cc2)C1 222204810 HLHZRZGOADTIGO-QRQLOZEOSA-N 284.447 4.535 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)c(F)c2)C1 222271236 CCKNHMQTCAOYJZ-HFAKWTLXSA-N 281.371 4.775 30 10 CJEE N#Cc1cccc(Nc2ccc(Cl)c(Cl)c2)c1 227605044 VVKUEGHHIIGERU-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CSc1cccc(NCC(C(C)C)C(C)C)c1C#N 229567409 ZUUMBLYZXYWSID-UHFFFAOYSA-N 276.449 4.620 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(C2(C#N)CCC(C)(C)CC2)C1 231020686 RCNCOPNGBWXXRK-MAUKXSAKSA-N 277.452 4.674 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(F)c1 232498603 CTOBABLTEGWTCV-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H]2CCCO2)C1 232848337 ZPJBQANVNQZLRM-WCVJEAGWSA-N 295.492 4.643 30 10 CJEE CCCCCCCC[C@](C)(O)c1cccc(F)c1F 232932679 IAQCCVNSXKVPIP-INIZCTEOSA-N 270.363 4.923 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1nccs1 232932987 IVVLZTNGLIEKNM-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CCCCCCC[C@@H](NCC)c1sc(C)nc1C 232954818 OJXAEXZVMUEVPH-CQSZACIVSA-N 268.470 4.771 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CCc2ccccc2C1 236406075 CKCVADXJSULINT-GOSISDBHSA-N 268.400 4.641 30 10 CJEE CCCCCCCCCN1CCC[C@@H]([C@H](C)CC(=O)O)C1 250829086 PMPICPIDRGPYPY-IAGOWNOFSA-N 297.483 4.560 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 251640474 MRHNKPJUNVVPKQ-FIDHJVLJSA-N 276.468 4.604 30 10 CJEE C[C@@H]1CC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C 252700200 YMUJXKBCFIOPQZ-WZRBSPASSA-N 297.320 4.781 30 10 CJEE C[C@H](CC#N)c1csc2ccc(C(F)(F)F)cc12 259966441 IEKNOTAXQWURAV-MRVPVSSYSA-N 269.291 4.937 30 10 CJEE CC(C)(CC#N)c1cc(Br)ccc1C(F)F 260824031 XCMHYQWVYLBGSW-UHFFFAOYSA-N 288.135 4.578 30 10 CJEE CCCCCCCCNC[C@H]1CCCC(F)(F)C1 302477722 QPHHRQITVKJGJA-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE CCCCCCC[C@H](NN)[C@H](CCC)CC(C)C 308078275 YGSIOTCSAMWCRK-CVEARBPZSA-N 256.478 4.641 30 10 CJEE Cc1c(Cl)ccc(C(=O)C2=CC[C@H](C)CC2)c1F 310802622 XQKLNTCTIDGNKB-VIFPVBQESA-N 266.743 4.717 30 10 CJEE Cc1cc(C2(C#N)CCCCCC2)nc2ccccc12 312634723 IXKRNIHHQSJRJK-UHFFFAOYSA-N 264.372 4.659 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](O)C1(C#N)CCC(C)(C)CC1 313264492 ZIXBIBASRAPWIV-HOCLYGCPSA-N 277.452 4.674 30 10 CJEE C[C@@H]1C[C@H](Nc2ccc(C#N)cc2Cl)c2ccccc21 313374149 QIGCXNQNGXPMJP-DIFFPNOSSA-N 282.774 4.872 30 10 CJEE C=CCCCCC[C@]1(CNCCOC)CCC[C@H](C)C1 318343615 VHZYAALVCGNGLR-ROUUACIJSA-N 281.484 4.555 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)CC[C@H](C)C1 319307943 DOPKDZLCTSNIFB-DOTOQJQBSA-N 251.458 4.905 30 10 CJEE CCCC(CS)(CCC)CN(CC)[C@@H](C)C1CC1 324669977 KLJGUCIOTDYGRW-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE CC(C)C1CCC(C#N)(COCc2ccccc2)CC1 381774603 BZBDEKIUBPQEEY-UHFFFAOYSA-N 271.404 4.559 30 10 CJEE CCCCCCCCCCC[C@@H](CCCCF)NN 381894387 QNOVZGFUBVOEJB-INIZCTEOSA-N 274.468 4.879 30 10 CJEE CC[C@@](O)(c1ccsc1)C1(C#N)CCCCCCC1 382165778 VGVYVDDHHYTSHP-MRXNPFEDSA-N 277.433 4.600 30 10 CJEE C=CC[C@H](CNCC(C)C)CC1CCC(C)CC1 386916188 CWZJERQXVLFMAB-JCYILVPMSA-N 251.458 4.641 30 10 CJEE Cc1ccc([C@@H](C)N(C)C[C@H](CS)C(C)(C)C)s1 387249216 JYWOKLJMXROTNM-CHWSQXEVSA-N 285.522 4.641 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cc2ccccc2s1 393774950 DMDNVKQBQHPFDC-OCCSQVGLSA-N 259.418 4.907 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)C2(C)CCCCCC2)C1 394679800 XNNBGPSNFIOBOX-NUJGCVRESA-N 277.452 4.818 30 10 CJEE N#C[C@H](CSc1cc(Cl)cc(Cl)c1)C1CC1 397425528 XKWXTSSJRXEDOP-SECBINFHSA-N 272.200 4.635 30 10 CJEE CC[C@@H](COc1cc(Cl)ccc1C#N)CC(F)(F)F 402278034 HVLUZZZWUWBNQZ-SECBINFHSA-N 291.700 4.569 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CC[C@H]2C[C@@H]2C1 403371118 MFXDQUBFJMTUQT-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE C#CCCCCC[C@@H](N)c1cc2cscc2s1 686696127 VLOLSMKETBWOSF-GFCCVEGCSA-N 263.431 4.546 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(C2CCC2)c1 690098361 ANZYEACXMWTHAD-SJLPKXTDSA-N 268.404 4.838 30 10 CJEE CCc1ccc(Nc2c(F)cc(C#N)cc2F)cc1Cl 691234149 UKEKPFNRPPOVDQ-UHFFFAOYSA-N 292.716 4.796 30 10 CJEE CCCCCCC[C@H](C)NCC1C[C@H]2[C@H](C1)C2(F)F 693376867 BQIWNIXQZBPAFP-QEJZJMRPSA-N 273.411 4.616 30 10 CJEE N#Cc1cc(F)c(NCCCC2CCCCC2)c(F)c1 694043895 YPGHKTPZGIDHEF-UHFFFAOYSA-N 278.346 4.609 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC(C)(C)CC(F)(F)F 694125487 CHDJUMLUVPFQPI-AAEUAGOBSA-N 264.331 4.751 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc(Cl)c2cccnc12 695861976 COGDSTJPTVMSOV-NSHDSACASA-N 288.778 4.595 30 10 CJEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 698358554 KVLGOXXWBSMAOT-HNNXBMFYSA-N 296.455 4.885 30 10 CJEE CCCCCCCCCCN[C@H]1CC[C@H]1SC 702002601 KJKQFMJAXZINBK-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@H](C(F)(F)F)C1 704046503 KTZWCNYEPGPASG-STQMWFEESA-N 277.374 4.690 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@](C)(CC)C1 704959302 NQCHUEHGWURIBJ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)[C@]12CCCC[C@@H]1C2 709254722 VQSAVIUFHNAJME-BFYDXBDKSA-N 283.525 4.623 30 10 CJEE C[C@H](N(C)c1cccc(Cl)c1C#N)[C@@]12CCCC[C@H]1C2 709263830 KAXCPPFEQUPZRD-DCGLDWPTSA-N 288.822 4.617 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)[C@@H](N)C(C)C 713028726 FUFCQDCXZPHHSP-IRXDYDNUSA-N 285.516 4.888 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCCC)CCC[C@H](CC)C1 715816049 USGFBFWUVAJSOX-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCCCCC2(C)C)CC1 719374368 CAUQSLYMNYLYPD-VMWRSERWSA-N 277.452 4.818 30 10 CJEE C=C1CCC(CNc2ccc3c(c2)CCCC3)CC1 724570672 FYMWJCXIESXHAI-UHFFFAOYSA-N 255.405 4.724 30 10 CJEE C[C@@H]1Sc2sccc2C(=O)/C1=C/c1ccccc1 742436053 FQUYAYQXZLIAFS-YWEFTTLKSA-N 272.394 4.509 30 10 CJEE C=C(C)CCC(=O)O[C@H](c1ccc(F)c(F)c1)C(C)C 1127320739 NVOPEYJQTVBDHS-INIZCTEOSA-N 282.330 4.561 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2ccccc2)c1 1134838360 XLVBWEZEZGDJAF-HNNXBMFYSA-N 279.383 4.537 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1C 1190597183 JYTUDFFEPNDVEP-UHFFFAOYSA-N 265.400 4.573 30 10 CJEE C=CCCN(CCCC(C)(C)C)OCc1ccccc1 1193564644 ULIYXAIBPAGVGU-UHFFFAOYSA-N 275.436 4.823 30 10 CJEE C=CCC1(NCCC2C[C@H](C)C[C@@H](C)C2)CCCC1 1196149781 HFKUYURBUCEYHZ-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCC[C@H]1C(C)(C)C 1206247243 HPHYFLZTYAZXEJ-ARFHVFGLSA-N 251.458 4.926 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1cccc(C2CCCCC2)c1 1207915891 CPWFJXORQTXVFO-SFHVURJKSA-N 298.430 4.917 30 10 CJEE N#Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cn1 1242785750 XHQIRZXYYURESR-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CCCCCCCCC[C@H](C)NCC1CCOCC1 1258230413 VERZANUSHLOBCF-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(CCC)CCC1 1265133592 RIBSGGMWCYLJDZ-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE CCCCCCCCCCN1CCC[C@H]2COCC[C@H]21 1307582493 FLPZLTPRZBFSSX-ZWKOTPCHSA-N 281.484 4.628 30 10 CJEE C=CCCCCN(CC1CC1)c1ccc(CC)cc1 1307780800 IHDZOLXFSCEJSW-UHFFFAOYSA-N 257.421 4.822 30 10 CJEE C=CCOc1cccc(NC(=O)C[C@H](C)CCCCC)c1 1357422016 MFMXSTGYTJXLGQ-OAHLLOKOSA-N 289.419 4.796 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@]1(C)CCC[C@H]1CC 1435133199 FBTKCDDVCNXQNX-IEBWSBKVSA-N 291.479 4.798 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 1436184280 HLWFJQYHTXBZSX-QFBILLFUSA-N 299.458 4.557 30 10 CJEE C=CCCCCCN(C)[C@H]1CCCc2ccc(F)cc21 1459541249 PJJHVENVSVYXCR-SFHVURJKSA-N 275.411 4.881 30 10 CJEE C=CCCCCCN[C@@H](c1ccccc1F)C(C)C 1460357642 DDMJNZCOKUXTRM-QGZVFWFLSA-N 263.400 4.859 30 10 CJEE C#Cc1ccc(CNCCCCCCCCC)cc1 1461004676 IGPULGJUBWJLFS-UHFFFAOYSA-N 257.421 4.508 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1C[C@H]1c1ccccc1 1462384738 CUYFMKHIEYVITA-NJAFHUGGSA-N 257.421 4.515 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)OC[C@@H]1C 1473605878 OSKNMSVBVVESFS-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(OCCC)c1 1473638183 REYSOINQQZSCLI-IEBWSBKVSA-N 287.447 4.700 30 10 CJEE C=CCCSCCN[C@@H](CC)Cc1ccc(Cl)cc1 1474618675 ZEJLBKFANPWEAF-INIZCTEOSA-N 297.895 4.560 30 10 CJEE C=CCOc1ccc(OC(=O)C2(CC)CCCCC2)cc1 1523569711 MVYHHVPYWITXTN-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=CCC(CC=C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 1524213386 XJLUECGOAJUHRV-MRXNPFEDSA-N 285.431 4.753 30 10 CJEE C=C(C)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 1537409639 CYLNJXOZNRBABU-UHFFFAOYSA-N 299.801 4.944 30 10 CJEE C=C[C@@H](OC(=O)c1coc2c(C)cccc12)c1ccccc1 1538944259 ZAAYULHCHDUXBC-QGZVFWFLSA-N 292.334 4.825 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H](C)Cc1ccccc1 1560015562 IGYOFVSTNDMFEK-GOSISDBHSA-N 279.427 4.696 30 10 CJEE C#C[C@H](N[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccc(Cl)cc1 1560864595 HXKXLDXHMKZOMK-XKQJLSEDSA-N 289.850 4.819 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)C2CCCC2)c1 1585977228 CSMMROIDEOBEDB-UHFFFAOYSA-N 271.404 4.875 30 10 CJEE C=CCCCCCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 1587021784 QSRKAYVJNBKKBC-QAQDUYKDSA-N 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283.406 4.536 30 10 CJEE CCN[C@@](C#N)(CSCC1=CCCCC1)C[C@H](C)CC 2281263713 AOVXBNCGBNNLJO-WBVHZDCISA-N 294.508 4.528 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 2284090255 SPGUDZKMZPLBOW-ZACQAIPSSA-N 275.480 4.772 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(C)ccc1Cl 2284112533 NMADGDQUUJJQJS-KRWDZBQOSA-N 289.850 4.905 30 10 CJEE C=CCCCCCCCCCC1(O)CCCNCCC1 2284617741 QWZQVGXUIPRXLW-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE CCCCCCCCCCOC[C@@H](N)c1cnc(C)s1 2285037182 ZCRNPAXXQBVXDR-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C=CC1(NCCCCCCCCCCCO)CCCC1 2286780833 REVIGAZRDNLPFP-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE C=CCCCCCCC[S@@](=O)CCCCC(C)(C)C#N 2287097406 VNHTZXZMHMGNDB-HXUWFJFHSA-N 297.508 4.982 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cnc(C)cc1C 2287467423 VMNIXQNOYLIQBH-SFHVURJKSA-N 274.452 4.876 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CC(C)=C[C@@H](C)C1 2289844308 LWTMUYBCWNXEJE-ATZDWAIDSA-N 273.464 4.541 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H](C)CC(F)(F)F 2289876648 XTCIQRPYQGXVCS-UKRRQHHQSA-N 289.385 4.527 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2290286359 BFFVKJOAMBYALI-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE C=C(CC)C[C@](C)(OCCC(=O)O)C1(C)CCCCC1 2291171498 JCLWCTSWWMGQNS-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@](C)(CCCCF)OCC(=O)O 2291452953 MKYSCZUVNAZMNU-MRXNPFEDSA-N 290.419 4.737 30 10 CJEE C=CCC[C@@H](C)[C@H](CCCCCCC)OCCC(=O)O 2291662300 DMXMADSEPVFNOR-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)C1(CCC)CCC1 2292716372 MSWDIFVKMRFJHV-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C=CC[C@H](CC)C1 2292905831 JYOPONXHOFAEQF-ROUUACIJSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1CC(C2CC2)C1 2293267973 FAIKRQJKHJDNNZ-DAWZGUTISA-N 281.484 4.517 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(c2ccc3ccc(Cl)cc3n2)C1 2294982133 RUOXIKGOFWJEPG-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)CC(C)(C)CN 2295538953 PVRPACDYSHOWAP-QGZVFWFLSA-N 284.532 4.822 30 10 CJEE C=C[C@H](C)C[C@H](N)c1ccc2oc3ccccc3c2c1 2295801897 LXSRECYYDONTQV-LRDDRELGSA-N 265.356 4.798 30 10 CJEE O=C(C=CNc1cccc(C(F)(F)F)c1)c1ccccc1 2297331650 CUWXPMUSMZOCAF-UHFFFAOYSA-N 291.272 4.514 30 10 CJEE Cc1ccc2[nH]c3c(c2c1)CCC(=Cc1ccccc1)C3=O 2297454421 BELRFZNMVLSEKG-UHFFFAOYSA-N 287.362 4.689 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309148535 SPSRPZMVYPLLRH-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE C=CC[C@H]1CCCN1Cc1ccc(Cl)c(Cl)c1C 2316832128 GRUUSBZYZRIVQN-ZDUSSCGKSA-N 284.230 4.842 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ncc(Cl)s1 2321101210 ICUHHXMWKSDPBB-GXTWGEPZSA-N 286.872 4.830 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC1(C)CC1)NCCC 2321130750 LONMSIBXJOEZJE-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C(CC1CC1)CC1CC1 2321235147 WCJTWUHBYSSOOI-DLBZAZTESA-N 250.426 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc2ccsc2c1 2321235788 YUKXRXAWWVSILM-JKSUJKDBSA-N 260.402 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(CC1CC1)CC1CC1 2335163156 SRMIZYPEYJWAGY-AEFFLSMTSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCSc2ccccc21 2337079269 ODOBPZHXQCHDPW-VNQPRFMTSA-N 273.445 4.558 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CC(C)(C)CCC1(C)C 2337101576 KTWJAJKDRMJVMJ-PMPSAXMXSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)cc1F 2337105926 CJHTUYKOQGHQJD-XHBSWPGZSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1cc2ccccc2s1 2337166556 KAFUQDXXKHCSFO-CZUORRHYSA-N 271.429 4.736 30 10 CJEE CCCCCCC[C@@H](N)C1(c2ccc(F)cc2)CC1 2338615679 KBYXQBJYWBJBHB-MRXNPFEDSA-N 263.400 4.545 30 10 CJEE C=CCC(CC=C)Nc1cc(C(F)(F)F)ccc1F 2338728418 UUYQXORODZFSDB-UHFFFAOYSA-N 273.273 4.777 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(C)CCSCC1 2338746488 HCNDLDBRXWNDJS-MRXNPFEDSA-N 281.509 4.656 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCNCC1(F)F 2338799537 DZANCQGHKMWLEQ-CQSZACIVSA-N 279.390 4.854 30 10 CJEE C#CCCCCCCN[C@H](C)c1cc(F)cc(Cl)c1 2338808703 WHKWAOOYCOFYJV-CYBMUJFWSA-N 281.802 4.713 30 10 CJEE CCC(CC)(CS)COC[C@H]1C[C@H]2C=C[C@H]1CCC2 2339124955 SNIVTJPHDKKHSQ-BZUAXINKSA-N 282.493 4.732 30 10 CJEE CSc1ccc(COCCCCC(C)(C)C#N)cc1 2340518912 BCHLUZFECUAZRW-UHFFFAOYSA-N 277.433 4.645 30 10 CJEE N#Cc1ccccc1OCCC1CCCCCCC1 2342179088 ZQDKQPTUPQMCGL-UHFFFAOYSA-N 257.377 4.688 30 10 CJEE C=C1CCC(C[C@@]2(C(=O)O)CCC(C)=C(C)C2)CC1 2343436581 HQYPLPAEFLXMTI-QGZVFWFLSA-N 262.393 4.714 30 10 CJEE C#CCCCCC[C@@H](N)c1cccc(C2CCC2)c1 2343781759 QXUNZRYXGSTPLL-GOSISDBHSA-N 255.405 4.538 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1[C@H]2CCCC[C@H]21)NCC 2344336299 IAVFLVRIYYNILI-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC2(C1)CC1(CCC1)C2)NC 2344338090 WNPXNOCEJKTRAX-ZBFHGGJFSA-N 261.453 4.537 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(CC(C)C)cc1 2344339127 GJUNSUMCAOOOJV-QGZVFWFLSA-N 259.437 4.748 30 10 CJEE C=CCC(C)(C)[C@@H](N)CCCCC(F)(F)C(F)(F)F 2344342390 JWHXDHQMFYJUDO-JTQLQIEISA-N 287.316 4.674 30 10 CJEE CC[C@@](C)(CN(C)C[C@](C)(CS)C(C)(C)C)C(F)F 2352068931 OZYRRFRTSCLBLN-LSDHHAIUSA-N 295.483 4.582 30 10 CJEE CCCC1CCC(N(C)C[C@H](CS)CC(C)C)CC1 2353848693 KFHXVLGKXFBPQK-AQFXKWCLSA-N 285.541 4.869 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2354362801 MZXSLPGEGAYCQL-FPCVCCKLSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1C[C@]2(C)OC 2356214562 YRHMQJMPWNZZTP-XSLAGTTESA-N 282.468 4.693 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2358541508 XYHQSEGQFPJOLU-FJIDUMEYSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(F)(F)F 2358665902 PQYYDIHQAKDPOW-ILXRZTDVSA-N 289.385 4.928 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)C[C@@H]1C[C@H]1CCC 2358948461 WEJJMMRCAJJXAV-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE CN(C[C@@H]1C[C@@H]2CC[C@H]1C2)CC1(CS)CCCCCC1 2359293421 GVUZROJPPJCGRT-IKGGRYGDSA-N 295.536 4.625 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(F)cc1)[C@@H](N)CC 2360198191 FABKICRCAKHWLR-DLBZAZTESA-N 293.451 4.858 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@H](C)CC1CC1 2360309406 LRZGTYMLGPYIKB-NXHRZFHOSA-N 283.500 4.642 30 10 CJEE N#C[C@H](C(=O)CCCc1ccccc1)c1ccc(Cl)cc1 36930783 ASTRBXVUJNOJRC-KRWDZBQOSA-N 297.785 4.539 30 10 CJEE COc1cccc(N[C@]2(C#N)CCCC[C@@H]2C(C)(C)C)c1 37937711 XEESIUFYSNBLEE-AEFFLSMTSA-N 286.419 4.606 30 10 CJEE Cc1cc(CNc2ccc(Cl)c(C#N)c2)c(C)s1 49685917 NUGXRSLWIWTHKB-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCC(C#N)(CC)CCCOc1ccccc1Cl 57714578 HHTUADMYQNSOKH-UHFFFAOYSA-N 265.784 4.829 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCCc2sccc21 61364101 DYMHQTTVMKSFDF-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE CCCc1oc(-c2cc(Cl)ccc2OC)cc1CC#N 77081922 JWXRRLURBYVVLL-UHFFFAOYSA-N 289.762 4.627 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80453817 XZSMQACKUZPEMJ-CHWSQXEVSA-N 292.448 4.659 30 10 CJEE CCc1ccc(-c2nc(C(C)C)c(CS)s2)cc1 82431300 VSOJZLYUNMMVIC-UHFFFAOYSA-N 277.458 4.926 30 10 CJEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c(C)c2)c1 83193033 LPTGVXYJEGVPLS-RMKNXTFCSA-N 286.758 4.553 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Sc1ccc(Cl)cc1 93955904 OYLZWMGOPLLDOD-MFKMUULPSA-N 251.782 4.514 30 10 CJEE C/C(=C/C(=O)c1ccccc1)Nc1cccc(Cl)c1 100661652 QPSYHUAZBKXCDZ-BENRWUELSA-N 271.747 4.539 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1 103030070 FRZMJJVURZYKKN-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2cc(C)ccc2C)cc1 103030101 SFYRUPCCVWNALB-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE C/C(Nc1ccccc1C)=C1\Sc2ccccc2C1=O 106720644 DNTDXJKDYCTTGG-SFQUDFHCSA-N 281.380 4.627 30 10 CJEE CCCCCCCCCCCCC[C@H](COC)NC 109667260 SOUPNBAQXGGMIB-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCOCc1cc(CNCC(C)C)c(C)o1 110170297 ZEDMDQAOURMLTQ-UHFFFAOYSA-N 295.467 4.821 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc2c1CCCC2 110251851 VKWYYXMNJPDOLQ-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCCOC1 114997916 VBOGNQWOKREOPY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1CCOCC1 115761930 YRFYCPJYLQGRJW-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOc1ccc(C)nc1CNC 118330775 LIGMFUUCXPZDEJ-UHFFFAOYSA-N 292.467 4.629 30 10 CJEE CCCCCCC[C@H](CO)c1ccccc1Cl 118820288 KJTNCYQXWSIDCR-CYBMUJFWSA-N 254.801 4.776 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(CC(C)C)c1 125142682 RUYCHDZHGMMRTC-GOSISDBHSA-N 276.468 4.750 30 10 CJEE CCCCc1ccc(OCC2(CS)CCC2)cc1 130406418 FDZFRUVUWWLAME-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE CCCCCCCCCC[C@](C)(O)C[C@H]1CCCCN1 156654216 LDDKIDCUFDBGPM-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE N#Cc1ccc(CN2CCCCc3ccccc32)c(Cl)c1 162915182 AKGZJFYLMONZCF-UHFFFAOYSA-N 296.801 4.555 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2F)c2ccccc21 163809246 CQHSIMJUUYCTJU-SJKOYZFVSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCC(=O)[C@]1(CCC)CCCNC1 169257789 HNULWMRIRLZFME-GOSISDBHSA-N 281.484 4.866 30 10 CJEE Cc1cccc(C#N)c1NCC1(CC(C)C)CCCC1 221084709 PUWUWQHLVXUBBG-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CSC1=C/C(=C/Nc2ccc3ccccc3c2)C(=O)S1 225594640 MBRLHJFXKPCKIZ-RAXLEYEMSA-N 299.420 4.613 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@@H]2CCC3(CCCCC3)O2)C1 229466419 FLRAGRWEDYZPHH-OWCLPIDISA-N 261.409 4.588 30 10 CJEE CCC1(CNc2ccc(C#N)c(Cl)c2)CCCC1 232935927 CMQODMSEXPSDJC-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(F)c1F 235552716 OQLWSXZFRCLKHD-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1cc(Cl)ccc1CNc1ccc(C#N)cc1Cl 235798747 JKJGOEXZKXNZTJ-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)Cc2ccc(Cl)cc2)cc1 235899725 LCEWEQJPRCCLGF-QGZVFWFLSA-N 284.790 4.585 30 10 CJEE CC(=NO)c1ccc2ccccc2c1OCCC(C)(C)C 252430207 AYXONGZPQXSVCS-UHFFFAOYSA-N 285.387 4.853 30 10 CJEE CCN(CC)c1ccc(O)c(C=Nc2ccc(C)c(C)c2)c1 252627712 SAAHIVCJCKTMJS-UHFFFAOYSA-N 296.414 4.606 30 10 CJEE N#CC1(c2snc3ccccc23)CCCCCCC1 311518391 STFGYHZTSOBROR-UHFFFAOYSA-N 270.401 4.802 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)C1=O 311770187 MRPVXXISZQKEBT-AWEZNQCLSA-N 254.414 4.511 30 10 CJEE CC(C)NC[C@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 317408650 OMXSGDVGINFHMS-WMZOPIPTSA-N 263.469 4.621 30 10 CJEE CC(=O)[C@@](C#N)(CCCCCC(C)C)c1ccccc1 383400384 RYOJYKMUAHOUCH-SFHVURJKSA-N 271.404 4.643 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CC(C)(C)C 384506472 RJFUEXMDCQGQPZ-WMZOPIPTSA-N 284.532 4.821 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCCC[C@H]1C 385023875 OWBUCCPIPPURQZ-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cc(Cl)ccc1Cl 385097203 ZAZWAWIVTCODND-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE N#CCCCCCNc1ccccc1OCc1ccccc1 385194376 FXONEVTWUNEPLE-UHFFFAOYSA-N 294.398 4.761 30 10 CJEE C=CCSC[C@H](NCCC)c1cccc2ccccc12 394398047 DAYOMFXRWWKWPW-SFHVURJKSA-N 285.456 4.800 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@H]2CCC[C@H](CC)C2)CC1 394647349 WEXLINIMTKUWQR-NNCLKIPCSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1ccc(Cl)cc1Cl 395117790 WEAYTWVCPYCQHO-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE Cc1ccc(C(F)(F)F)cc1NC[C@H](C#N)C(C)(C)C 397515219 SEHWPTWFNAPTEZ-LBPRGKRZSA-N 284.325 4.612 30 10 CJEE CCCCCCCCCCCCN(CCCO)C1CC1 404274671 DBEBVXYBBHYNPE-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 464655959 KVUGKDLGJBWKLQ-SJLPKXTDSA-N 285.431 4.569 30 10 CJEE C#CCCCCC[C@H](NCCC)c1csc(C)c1C 686687050 KTKYFENLGPCTMX-KRWDZBQOSA-N 277.477 4.989 30 10 CJEE CCC(O)(CC)CC1(C#N)CC(C)(C)CC(C)(C)C1 688307437 GKZDGSUIMFIWFP-UHFFFAOYSA-N 265.441 4.674 30 10 CJEE C=CCC[C@H](NCC)C1CC(C)(C)CC(C)(C)C1 688347991 ZULZHEALMASEPX-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)c(C)c(Cl)c2)n1 690247459 MPUNZHJAOLGUPP-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CCC1(NCc2csc3ccccc23)CCCC1 690804884 KIEPIFCCVXTUFE-UHFFFAOYSA-N 271.429 4.880 30 10 CJEE CCCC1CCC(C#N)(Cc2nc(C)sc2C)CC1 691172622 KTKRNRWMZFWYFK-UHFFFAOYSA-N 276.449 4.803 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC2CCC1CC2)NN 691778284 RTDRUASPKINWJU-HIEASXQVSA-N 280.500 4.785 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC23CCCCC3)CC1 694394237 GSLGATPJYHDLMW-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)CCN 697033018 WXXCPJZKCHWLSP-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCCC[C@H](O)c1csc([C@@H](C)N)n1 697441838 FDXXYXDAIZDVBL-HIFRSBDPSA-N 298.496 4.727 30 10 CJEE CC(C)C1CCC(C#N)(CC[C@H]2CC2(F)F)CC1 701063077 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2271837562 VMQHJZLJWLCAOS-XDNAFOTISA-N 263.469 4.927 30 10 CJEE CC(C)CCC[C@H](C)CCNc1ccccc1C#N 2272344246 UVOVTRQPKGPNNS-HNNXBMFYSA-N 258.409 4.823 30 10 CJEE C=C(CC)C[C@](C)(CCCCCCC)OCC(=O)O 2275170150 SQGSDSJTPXOXLT-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC=C1C 2277286381 BNZGWWKAEJGLBD-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C)CCCO 2278245342 VOFPZIZNPBLYNO-DLBZAZTESA-N 271.489 4.514 30 10 CJEE CCCCCCCCCCCCN[C@H](CN)CC(C)C 2279099549 IKRFGMKEDRRBBO-SFHVURJKSA-N 284.532 4.870 30 10 CJEE CC1CC(CS)(CN2CCC[C@@H](C3CCCCC3)C2)C1 2280052898 USXOMMLQLJGVNI-IIIMJFFVSA-N 295.536 4.625 30 10 CJEE CCCCCCCC[C@H](NC)c1ncc2sccc2n1 2280360987 JTZGJXQWUXUKDX-AWEZNQCLSA-N 291.464 4.702 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC(F)(F)C12CCC2)C(C)(C)C 2280878503 IBPTVLSQZVLQHE-KBPBESRZSA-N 285.422 4.782 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1CC(F)(F)C12CCC2 2280879570 LZZJLULSIFPYIS-ZDUSSCGKSA-N 285.378 4.549 30 10 CJEE C#CCCN(Cc1ccc(CCC)cc1)CC(C)(C)C 2283538321 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283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CC[C@H]1C1CC1)NCC 2344398725 YJLZKCWZQSOXTC-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCC12CCC2 2352835666 LPFAMTFIWAPAOM-MBNYWOFBSA-N 271.326 4.829 30 10 CJEE CC(C)[C@@]12CC[C@@H](Nc3cc(Cl)c(C#N)cc3F)[C@@H]1C2 2355796417 QTZIVJPQSVYHRZ-PEYYIBSZSA-N 292.785 4.587 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2C[C@@H]2CO1 2355823928 OYCCFTNLNXGQBI-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1 2359097578 GVGYMOSDWYDROJ-UIBIWLFHSA-N 275.436 4.692 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](N)c1ccc(CC)cc1 2360335645 COGYZVQLGAWFHZ-KBXCAEBGSA-N 289.488 4.891 30 10 CJEE CC(C)Oc1ccc([C@H](C)Nc2ccccc2C#N)cc1 19921727 RMNFEBGMMBFHIE-AWEZNQCLSA-N 280.371 4.519 30 10 CJEE CC(C)=CCCC1=CCC2=C(C1)C(=O)c1ccccc1C2=O 29486823 PIABOMSCKRXHJL-UHFFFAOYSA-N 292.378 4.829 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1Sc1ccccn1 37155175 ZLFUJERALUTJQT-IXDOHACOSA-N 294.423 4.650 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccc2c(c1)CCC2 37156462 WQYZTSNOOLCIDD-NVXWUHKLSA-N 271.429 4.740 30 10 CJEE Cc1cc2c(cc1C)C(=O)/C(=C/c1ccccc1Cl)O2 39842626 AEVQHUMDYIMFNQ-SXGWCWSVSA-N 284.742 4.573 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2ccc(Cl)cc2Cl)n1 40421282 SQMJCURCWZOSGL-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048369 RDTGWROSAJZECW-RBSFLKMASA-N 299.443 4.893 30 10 CJEE Cc1c(Cl)cccc1N[C@@H]1CCCCC[C@@H]1C#N 54823251 BYJKXDCFYQWQQG-IUODEOHRSA-N 262.784 4.533 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc2ccccc2c1 54825159 GJRTWBBGWZIJSZ-FUHWJXTLSA-N 264.372 4.724 30 10 CJEE Cc1cccc(OCCCC[C@H](C#N)c2ccccc2F)c1 57686427 SWAOQGXSOFIFPW-MRXNPFEDSA-N 297.373 4.991 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(CCOC)cc1 59290775 MJQFTWIWKYTDDY-LJQANCHMSA-N 291.479 4.887 30 10 CJEE CCCCCCCNc1ccc(CN2CCCC2)cc1 59427011 ONEGZDHDJHDUSQ-UHFFFAOYSA-N 274.452 4.665 30 10 CJEE CCCCCCCCNc1cc([N+](=O)[O-])ccc1C 59456469 FVFSUIBNJLWGHO-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE C=C(C)COc1ccc2ccccc2c1CNCCCC 66115645 QSKCGDNEVCFKAT-UHFFFAOYSA-N 283.415 4.684 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 68618532 DDYUFMAJMHTKSN-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc(Cl)c1F 70138319 SOZYUSSZMWVCGJ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCc1oc(-c2ccc(Br)s2)cc1C#N 77082365 CLXVKFFVVLZYHQ-UHFFFAOYSA-N 296.189 4.595 30 10 CJEE CCc1nc(-c2c(Cl)cccc2Cl)sc1C#N 82424622 MCEUFIOQRPWTBX-UHFFFAOYSA-N 283.183 4.551 30 10 CJEE CCC(CC)(CC)Nc1ccc(C(F)(F)F)cc1C#N 86643772 JCZFNYKDRIVCCM-UHFFFAOYSA-N 284.325 4.958 30 10 CJEE CCCCCCC[C@@](C)(C#N)Nc1ccccc1F 103069097 AGNOYCSVHBAVPT-INIZCTEOSA-N 262.372 4.880 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)c(F)c(F)c1 103935195 AHVOTRUVZIPSCV-AWEZNQCLSA-N 274.326 4.888 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(C(C)(C)C)cs1 103939209 KYEDVHYGBACAAK-INIZCTEOSA-N 282.497 4.975 30 10 CJEE CCCCCCCCOCCCC[C@@H](C)NCC 106247022 RTQGTLAMJWKIDM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C[C@@H](CCS)c1ccc(Oc2ccccc2)cc1 107633618 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CC(C)(C)[C@](C)(CS)CN1CCC[C@H]1C1CCCC1 2352068042 JCHDIAHHAGLWGA-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@H]2CCC[C@@H]2C#N)c1Cl 2353042810 RLSMYHSXMCTEPS-WDMOLILDSA-N 297.229 4.645 30 10 CJEE CCC(C)(CC)CN(C)c1ccc(C#N)c(SC)c1 2353845093 KUVMKMQYEGAUNF-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE O=CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCCC1 2354834822 MPDCPCZWBUIKFX-ZNMIVQPWSA-N 284.390 4.988 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCC[C@H](O)C1 2360174068 OQKLLOQAKQMJBA-KURKYZTESA-N 283.500 4.656 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1NCC 2360207676 JVDCWNVSZSUUMG-NONVJHHQSA-N 289.488 4.911 30 10 CJEE CCc1ccc(Oc2ccc(C#N)cn2)c(C(C)(C)C)c1 20551745 UCTKZUPPYJRSOO-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE C=C1CC[C@H]2[C@H](c3c(C)c(O)c4c(c31)C(=O)[C@@H](C)C4)C2(C)C 33753190 BMHPRIPRPDSKRK-SIMVJXQJSA-N 296.410 4.622 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922237 FZYCCYQOSZORPD-CQSZACIVSA-N 258.409 4.724 30 10 CJEE N#C[C@@H](c1ccc(Br)cc1)C1CCCCC1 41431814 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CC[C@H]1CCC[C@H](Oc2c(C)cc(C#N)cc2C)C1 88154681 AUPTXEWDKRLXQL-HOCLYGCPSA-N 257.377 4.523 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(C)sc2C)CC1 91884167 GVDOGVDKRLBEAA-SIWZUTFBSA-N 277.433 4.509 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cc(Cl)cs2)CC1 93097224 LYYYYDQWDXBSHJ-XGTXGMFGSA-N 297.851 4.935 30 10 CJEE C=CCCC[C@H](NCCC)C1CCC(F)(F)CC1 97219838 GQOKYBSMSUJUSR-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE CCCCCCC(=O)[C@H](C#N)c1cccc(Cl)c1F 97469522 QIHXCNOYVQECSC-GFCCVEGCSA-N 281.758 4.626 30 10 CJEE C#CC[C@@H](C)c1c(OCCC)cc(C)c(Cl)c1C 107624703 XJERQDBNEBBPRB-LLVKDONJSA-N 264.796 4.872 30 10 CJEE CCCCCCCCCCOCC[C@H]1CCCNC1 109652753 HPILPGNKXRYEFP-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCNCc1ccccc1COC 110164387 QHCAXZOCRUSAHZ-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE C[C@@H]1CCCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 110256737 UGXLAOVEFSZFIE-NEPJUHHUSA-N 296.336 4.815 30 10 CJEE Cc1cc(Oc2nc3c(cc2C#N)CCC3)cc(C)c1Cl 110262563 VOKFDTYGSXFCNH-UHFFFAOYSA-N 298.773 4.505 30 10 CJEE 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159387350 ZYKKYOUONWTEPF-UHFFFAOYSA-N 271.408 4.711 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)[C@H](C)C1 159464599 YHMDCKLPMRSBLQ-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C=C(Cl)CN[C@H](CC)c1ccc(Cl)c(Cl)c1 167727481 NROSOTYVJWSPAH-GFCCVEGCSA-N 278.610 4.787 30 10 CJEE CCCCCCCC[C@@](F)(CN)c1ccccc1 169130508 VXFMLYMOPOYSLU-MRXNPFEDSA-N 251.389 4.561 30 10 CJEE C(=N/c1ccccc1)\c1ccc(N2CCCCCC2)cc1 205931663 AZPZNCUPVYQZAR-CAPFRKAQSA-N 278.399 4.818 30 10 CJEE N#C[C@@H](NCCC1=CCCCC1)c1cccc2ccccc12 219628915 MURXCVNXRWJEQI-HXUWFJFHSA-N 290.410 4.885 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCC[C@@H]2C)C1 222167041 NLZPKHTZVAGBJO-NXOAAHMSSA-N 276.468 4.605 30 10 CJEE CC1CCC(C#N)([C@H](O)c2cc(Cl)ccc2Cl)CC1 232882496 AILUYOOYHVRWHT-CIQACWJJSA-N 298.213 4.747 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCO[C@@H]1CC 232918938 PAIYGFFUJUYFKD-IXDOHACOSA-N 270.457 4.693 30 10 CJEE N#CC[C@@H](c1ccc(C2CCSCC2)cc1)C1CC1 260689270 VTTDYSHJVDIKDY-KRWDZBQOSA-N 271.429 4.704 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)[C@@H](CCC)CC(C)C 308079463 YQCKPIHMCJDRQP-ZWKOTPCHSA-N 283.500 4.798 30 10 CJEE CCCCCCCCOc1ncc(CNC(C)(C)C)s1 312517223 BYZIZMWTGXKIKK-UHFFFAOYSA-N 298.496 4.771 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCCCc1ccccc1 316713666 DOMLCGBBIHLQRV-AEFFLSMTSA-N 258.405 4.795 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1c(Cl)cccc1Cl 316884467 VVMGPICEAOUEDG-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CC(C)CNC[C@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 318611849 BYTISTWAFMRVCY-HKUYNNGSSA-N 277.496 4.868 30 10 CJEE C=C(C(F)(F)F)[C@@]1(O)CCCC[C@H]1C1CCCCC1 388541223 RJAGHWUTZXDZNG-KBPBESRZSA-N 276.342 4.607 30 10 CJEE C=CCSc1ccccc1NCC1(C)CCCC1 394658514 MQIBEJBFBRZDQR-UHFFFAOYSA-N 261.434 4.957 30 10 CJEE CCCCCCCCCC[C@H](O)CCN1CCCCC1 395963495 XXZKSUOWKPGTCB-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCC[C@@H](C)NC[C@H](C#N)C1CCCCC1 397055305 AJJHZVLPNFEYOE-WBVHZDCISA-N 264.457 4.655 30 10 CJEE CC(C)(C#N)COc1ccc(-c2ccccc2)cc1Cl 405232038 WMSJIRCTZPFDBX-UHFFFAOYSA-N 285.774 4.936 30 10 CJEE 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261.453 4.703 30 10 CJEE C=CCCCCCCCNc1cccc(OC)c1C 2340914938 RQOBKRPTSKCKJP-UHFFFAOYSA-N 261.409 4.942 30 10 CJEE CC[C@@](C)(C=O)C[C@H](c1ccccc1)C1CCCC1 2342481394 IDJHQMOGFOMSCR-QZTJIDSGSA-N 258.405 4.966 30 10 CJEE C=CC[C@H](C)[C@H](CC=Cc1ccccc1)NCCC 2344336512 JPMGNPBOWJQNMU-WMZOPIPTSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cnc(C2CC2)s1 2344371240 ISZDWUNNMDOABH-HOCLYGCPSA-N 278.465 4.664 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC2(CCCC2)C1)NCCC 2344380185 KLSZTCYCBJJZSX-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](Cc1cccc(Cl)c1C)NCCC 2344382287 PBYRUKOXRFCCAK-GUYCJALGSA-N 279.855 4.771 30 10 CJEE C=C[C@](N)(CC[C@@H]1CCC(C)(C)C1)c1ccccc1 2344889034 OCLFZUJPFHQMTK-YJBOKZPZSA-N 257.421 4.633 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CC(C)(C)CCC1(C)C 2352002900 GNLRNVBDLQYFGI-MRXNPFEDSA-N 284.465 4.746 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@H]2CCCC[C@@H]21 2352095091 FFZMLRANACLXKW-ZOBUZTSGSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CCOC[C@@H]1C2)NCCC 2357374643 XMQZSBKVFUWOHQ-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2357716979 PIENPEDNVFDRAT-LULLPPNCSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@@H]2CC[C@H]1C2 2359312753 OPDGGFYMOSIUSQ-XMTFNYHQSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@@]1(OCCN)CC[C@@H]2C[C@@H]21 2360082988 JFGDPSFZYGMUPB-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(F)c(F)c1 2360324348 PARZYWLPRUELPC-LRDDRELGSA-N 299.430 4.703 30 10 CJEE CSc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1 247450 GLBIHCXXCXGIRI-VMEIHUARSA-N 286.440 4.961 30 10 CJEE CC(C)[C@@H](C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 407362 ODFZYAXNJFZSSE-QGZVFWFLSA-N 293.370 4.594 30 10 CJEE N#Cc1ccc(-c2ccccc2OCc2ccccc2)cc1 16946945 OGNJWEYMJJCLKL-UHFFFAOYSA-N 285.346 4.804 30 10 CJEE [N-]=[N+]=Nc1ccc(/C=C\C(=O)c2cccs2)cc1 33505035 UDGHVRJYOAZFLV-YVMONPNESA-N 255.302 4.586 30 10 CJEE CCCCCC(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 36931468 LEOZCYVZRBTVDI-INIZCTEOSA-N 257.377 4.567 30 10 CJEE Cc1ccc(C)c(OCC[C@](C)(C#N)c2ccccc2)c1C 57687691 WNEPXOJIXOBOHW-HXUWFJFHSA-N 293.410 4.862 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2ccccc2C)c1 57695375 CWGBGQPABWMGFQ-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE CN(Cc1ccc(Cl)cc1)c1cccc(Cl)c1C#N 70138453 OLVUMLWWFSDTMJ-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CC(C)C1CC(C#N)(c2ccc(C(C)(C)C)cc2)C1 86557883 OJODYVHITXTEQS-UHFFFAOYSA-N 255.405 4.811 30 10 CJEE CC1CCC(C#N)(Cc2cccc(Br)c2)CC1 87930622 DCSQXCNMGFJJFC-UHFFFAOYSA-N 292.220 4.712 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634218 AXGHKWUYDQGEOV-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE CC(C)(C)[C@@H](CS)COc1ccccc1C(F)(F)F 94583239 MVGISGFYOLBDGG-SNVBAGLBSA-N 292.366 4.676 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C2(CC(C)C)CCCC2)cc1 94902809 VGIYGKNKTMUGRC-QGZVFWFLSA-N 283.415 4.778 30 10 CJEE C=C(CC)C[C@H](NCCC)C1CCC(C)(C)CC1 97208870 TYFOEUIJHMIUEZ-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CC#CCC[C@@H](NCCC)c1oc2ccc(F)cc2c1C 97417326 MMUOCHVQECNEKG-MRXNPFEDSA-N 287.378 4.725 30 10 CJEE CCCCCCCc1nc(CCC)n(C(C)(C)C)c1N 110054943 DRRCXCGNRKNSSQ-UHFFFAOYSA-N 279.472 4.686 30 10 CJEE CCCCCCCO[C@H](CNCCC)c1ccccc1F 110067672 RXNKCQUSBKWFGZ-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CN(Cc1cccc(Cl)c1)c1ccc(C#N)cc1Cl 110254813 RDVFCPRLYNOBHU-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c(F)c2)c(Cl)c1 110255646 DYWXRRNEPHYKKP-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1SCC1CCCC1 110354552 LXRHUNVXCPULKK-UHFFFAOYSA-N 285.334 4.859 30 10 CJEE CCCCCCCCC[C@@H](CN)Cc1cccc(OC)c1 110520688 SEIAKEZJECYPGK-GOSISDBHSA-N 291.479 4.953 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ccncn1 112184760 GQIYZHJGVIMZBV-INIZCTEOSA-N 277.456 4.658 30 10 CJEE CCCCCCCCC(=O)Nc1ccc([C@@H](C)NC)cc1 115854918 POKHYHSUUCWDSM-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE CCCCCCCCC(=O)N1CCC[C@@H]1c1ccco1 116043239 CZGSOVJZOZUYBQ-OAHLLOKOSA-N 277.408 4.694 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](O)C12CCCCCC2 117306228 FVJRNDABADLBRU-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCCCCn1ccc(CCN)c1 117595277 UNFLJUIJEIGVAY-UHFFFAOYSA-N 278.484 4.910 30 10 CJEE CCCCCCCCC[C@H](N)C(C)(C)N(CC)CC 118141132 XDHXFNQNPMQDIV-INIZCTEOSA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@H](N)C(CC)(CC)N1CCCC1 118171515 FFDSJECLHPWKJJ-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)C2CCCCC2)CC1 122095299 HXYPKWXRYCYHCW-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@H](CCc1ccsc1)NN 123177953 XQEPIGIZPLZXNZ-MRXNPFEDSA-N 282.497 4.653 30 10 CJEE CCCCCCCCCCn1c(S)nnc1C(C)C 124882521 OKNWJDULQVPWDJ-UHFFFAOYSA-N 283.485 4.831 30 10 CJEE N#Cc1cc(Oc2ccc(Cl)c3ccccc23)ccc1N 127717146 WRPRTQBBAJQDNY-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnn(C)c1C 140285268 FHLKDETVAZWVIE-QGZVFWFLSA-N 279.472 4.520 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(F)c(F)c1 147335451 QBBVLYXYJVYQSF-OAHLLOKOSA-N 283.406 4.975 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cncs1 147777190 SKBOZBHKJHTQGR-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCCC)c(Cl)c1)C(C)C 162263284 CPYJQLXOOIYXMG-CQSZACIVSA-N 294.870 4.801 30 10 CJEE CCCCCCCCC[C@@H](CC1CCOCC1)NCC 162670238 HNPDWYBASSBZCU-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@H]1CCCC[C@@H]1N(C)c1ccc(C(F)(F)F)c(C#N)c1 164446271 KHNSTGOXSLKCHA-NHYWBVRUSA-N 296.336 4.592 30 10 CJEE CCCCCCC[C@H](C)Nc1cnccc1Cl 166674610 CXSGJQAXERKSOF-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(OC(F)(F)F)cc1 167754698 OKLIVDWWWNGJPL-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CCCCN(CC)[C@@H](C#N)c1cccc(Cl)c1Cl 213007098 IAYPMPYKGFHXDJ-ZDUSSCGKSA-N 285.218 4.680 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CC[C@@H](N)C1 226603185 HFMRJEYOOWBUKN-DLBZAZTESA-N 281.484 4.994 30 10 CJEE CCCCCCCCNCc1csc(C(C)(C)C)n1 229247031 TVYCCTNJEWLOJZ-UHFFFAOYSA-N 282.497 4.891 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(Cl)c(OC)c1 229774668 GNWABZLZJKLWLP-OAHLLOKOSA-N 283.843 4.970 30 10 CJEE C=CCCCCCOc1cccc(CNCC(C)C)c1 232631198 MTIZEDBRKLWDAY-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CCCCCCCC[C@H]1C(=O)Nc2ccc(F)cc21 232927098 PJDZPNNKJHRSLP-CYBMUJFWSA-N 263.356 4.612 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC 234081217 REXAQWDVTJTKOH-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(Cl)cc1F 236134685 OMNQLUUAORLLKO-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1[C@H]1CCC[C@H]1O 253101575 XMDQYZMPCQRFCB-GUDVDZBRSA-N 295.511 4.753 30 10 CJEE C[C@H](CC#N)c1cc2ccc(C(F)(F)F)cc2s1 260206739 YZNPOPMBCYQFOS-MRVPVSSYSA-N 269.291 4.937 30 10 CJEE CC(C)c1nc2ccc([C@@H](CC#N)C3CC3)cc2s1 260642625 RVYJZCAMQDCEJR-ZDUSSCGKSA-N 270.401 4.827 30 10 CJEE C=CCCCCN[C@H](C)C12CC3CC(CC(C3)C1)C2 311797782 DEGMUCDFFMFSGS-CZVCLPBNSA-N 261.453 4.537 30 10 CJEE O=C(C=C1CCCCC1)c1ccc2c(c1)CCCC2 311985021 RKJFNJRYROKPAK-UHFFFAOYSA-N 254.373 4.639 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@H](CNC2CC2)O1 312400293 PDQHCAPNTILJRQ-QZTJIDSGSA-N 281.484 4.817 30 10 CJEE O=CC1(Cc2cccc(Br)c2)CCCCCC1 316517206 DMNBQSHMQWBUFU-UHFFFAOYSA-N 295.220 4.531 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2Cc3ccccc3S2)C1 316893367 SNAAURGNQHOHJO-HFTRVMKXSA-N 288.456 4.879 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2c(C)cccc2C)C1 316910281 VJNMTVSTYVRKPP-AEFFLSMTSA-N 258.405 4.631 30 10 CJEE C=CCC(C)(C)CO[C@H](C)C(=O)c1ccc(Cl)cc1 378753950 RGVHKZBQWSIQHB-GFCCVEGCSA-N 280.795 4.530 30 10 CJEE CCCCCCCOc1c(N)ccc(Cl)c1C 383827681 RYRCJCZZPJYLPL-UHFFFAOYSA-N 255.789 4.580 30 10 CJEE CCCCCCC[C@@H](CCCCOC)NCCC 385142720 XCFAIMLVWBKTIV-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H]1[C@H](C(C)C)C(=O)N1[Si](C)(C)C 385210067 PLTAZDALELRBAI-GJZGRUSLSA-N 283.532 4.665 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2cccc(Cl)c2)C1 394588144 YQDCPEKBSPGOAL-DVOMOZLQSA-N 276.811 4.860 30 10 CJEE CCCCCCCC(=O)[C@H](CC)C(=O)C(C)(C)C 395333584 USTDXVWEFILPMN-ZDUSSCGKSA-N 254.414 4.557 30 10 CJEE CCCCCCCC[C@@H](N)CCOCc1ccccc1 395509788 CBDOOYNNIASBEM-GOSISDBHSA-N 277.452 4.671 30 10 CJEE CC[C@H](COc1cc(Cl)ccc1C#N)CC(F)(F)F 402278039 HVLUZZZWUWBNQZ-VIFPVBQESA-N 291.700 4.569 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C)CC(F)(F)F 402981720 HBHFQCWIYJVECS-VXGBXAGGSA-N 254.336 4.686 30 10 CJEE CCSc1cccc(N[C@H]2CCCCC[C@H]2C#N)c1 690147559 DPRAJEJWIXNSMQ-BBRMVZONSA-N 274.433 4.683 30 10 CJEE N#CC1(Nc2cccc(Cl)c2)CC(c2ccccc2)C1 690700524 GEWGITOTTIKNAW-UHFFFAOYSA-N 282.774 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1C2CC3CC(C2)CC1C3 692222214 SGCFQDCLAWNAES-RIFVKUKGSA-N 273.464 4.536 30 10 CJEE N#Cc1ccc(NC[C@H]2CCCC3(CC3)C2)c(Cl)c1 695754642 DCIYDDDKYASJQM-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE Cc1cc(CC2(C#N)CCC(C(C)(C)C)CC2)ccn1 698160216 SABDDQVTOWXYMJ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE N#Cc1c(Cl)cccc1N1[C@H]2CC[C@H]1c1ccccc12 700439239 WDLXSYUXGLOQBN-IRXDYDNUSA-N 280.758 4.608 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1COC[C@@H]1C 705259892 VQEZAPOOYBAWQS-KSZLIROESA-N 284.484 4.941 30 10 CJEE CCCCCCCN[C@H](C)c1nc2ccccc2s1 705966787 YXXINZSZORICKB-CYBMUJFWSA-N 276.449 4.917 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C2CC2)cc1 709322091 CLYNLSDNSWCEEP-RBUKOAKNSA-N 269.432 4.789 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)[C@@H]1CCCCO1 711852765 UQOVPVKAWIUIIT-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@](C)(N)CCN(C)C 715209892 XXKNJBAIQTWJPK-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCC/N=C1/N[C@H](CC)C[C@@H](C)S1 716938340 XMKAILREWSTYKD-ZIAGYGMSSA-N 270.486 4.597 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@H](OC)C1)NC 721918158 YNZJXYYCSFOAQC-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE C[C@H]1CC(C#N)(Cc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 724291211 WELZPBUDICGXDL-QWRGUYRKSA-N 298.213 4.633 30 10 CJEE C=C1CCC(C[C@]2(C#N)CCc3ccccc3C2)CC1 724609615 WDAWINGSCRHHSM-LJQANCHMSA-N 265.400 4.822 30 10 CJEE C=CCCC[C@@H](NCc1ncc(C(C)C)o1)c1ccccc1 880387791 DHHAGOQGURPLIG-QGZVFWFLSA-N 298.430 4.985 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@@H]1CCCC1(F)F 935832868 NJTJJSDFUSNSBW-AWEZNQCLSA-N 293.357 4.569 30 10 CJEE C=CCC(CC=C)C(=O)Oc1cc(Cl)cc(Cl)c1 1124175892 NBFODYRPKWDRHJ-UHFFFAOYSA-N 285.170 4.667 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)Cc1c(CC)oc2ccccc12 1124513765 GAIWEEJFGAAGDG-AWEZNQCLSA-N 299.414 4.556 30 10 CJEE C#Cc1cccc(N(C)C(=O)CCCCCCCCC)c1 1125843438 YNEQSCRMSNJQHN-UHFFFAOYSA-N 285.431 4.771 30 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30 10 CJEE C=CC[C@H]1CCCN(C(=O)CCCCCCCC)C1 1300477494 KISCCIHUVHEWBW-INIZCTEOSA-N 265.441 4.552 30 10 CJEE C=C(C)[C@H](NCC12CCC(CC1)C2)c1ccc(F)c(F)c1 1307697291 FKGHNFDIOWUGHT-VXVMZULRSA-N 291.385 4.752 30 10 CJEE C=CCN(CCc1ccco1)Cc1ccc(C2CCC2)cc1 1308641350 JBMYXOATOZRMFK-UHFFFAOYSA-N 295.426 4.778 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(-c2ccc(C)cc2)c1CCC 1308688763 QSQJCXBKFJJVNN-MRXNPFEDSA-N 297.446 4.900 30 10 CJEE CC#CCCCC(=O)Nc1ccc2oc3ccccc3c2c1 1350489013 RVJBNGMMEOOQSH-UHFFFAOYSA-N 291.350 4.718 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 1351859427 JKZNJGUJKFMHDA-WFASDCNBSA-N 279.811 4.510 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H](C)CC(C)(C)C 1354025111 BDUNCTWVLQGXQK-INIZCTEOSA-N 287.447 4.664 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2cccc(C)c2C)CCCC1 1456256926 RLCJQNKRCHUJLK-INIZCTEOSA-N 285.431 4.617 30 10 CJEE C=C(CC)CN(CC)[C@H](CC)Cc1ccc(C)cc1 1459551991 UHHVCOLLAJZLBC-GOSISDBHSA-N 259.437 4.604 30 10 CJEE C#CCCCC(=O)Oc1cccc(-c2c(C)cccc2C)c1 1460633479 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30 10 CJEE C=CCCCCCC[C@H](N)c1cc(C)ccc1OC 2141912850 CCERCSWYVCEUMF-INIZCTEOSA-N 261.409 4.530 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H](CC)COC 2141919391 PNYSQWFYAVSJJO-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCC[C@H](NCC)c1ccsc1OC 2141920598 WNRQLENBXAWDCK-HNNXBMFYSA-N 281.465 4.934 30 10 CJEE C=CCCCCCCNCC1(C)CCC(F)(F)CC1 2141922469 HWEYLIIORDQNKB-UHFFFAOYSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCCc2ccoc21 2141923974 YKLQCDWQQYLRER-MRXNPFEDSA-N 261.409 4.725 30 10 CJEE C=CCCCCCCCCC[C@H](CC(C)(C)C)NN 2142447948 LCSNOQFVEXLEEC-MRXNPFEDSA-N 268.489 4.951 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(C(C)C)nn1C 2144459252 CZSQKVIZWRNDHT-HNNXBMFYSA-N 279.472 4.684 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)C1(CCC)CC1 2148588867 PNMMPAMAYJSVCU-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](O)C(C(C)C)C(C)C 2148589079 IROOCJCKDGIDKA-FUHWJXTLSA-N 285.516 4.614 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@H](O)C(C)C 2148590198 UKIVYVIZOPTXMV-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE 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283.500 4.920 30 10 CJEE C[C@@H]1C[C@H]2CCCC[C@@H]2N(c2ccc(C#N)cc2Cl)C1 2159918942 VLMVVNTYCBEROI-XPKDYRNWSA-N 288.822 4.617 30 10 CJEE C=C([C@@H](N)c1ccc(OCCCCC)cc1)C(C)(C)C 2164041257 IAZUDPDPOYOUFE-QGZVFWFLSA-N 275.436 4.858 30 10 CJEE C=C([C@H](N)c1ccc(OCCCCC)cc1)[Si](C)(C)C 2164042772 FZJKPEVRHTWLJM-KRWDZBQOSA-N 291.511 4.689 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc2nc(C)ccc2c1 2164263165 KBIHFQZXPBKZFQ-SFHVURJKSA-N 268.404 4.550 30 10 CJEE CCCC[C@](C#N)(CC)c1cc(C)nc2ccccc12 2164475208 LRAOHQKHYNMSRC-SFHVURJKSA-N 266.388 4.905 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)C1(C)CC=CC1 2166485066 FCUMLCNQQRTOMQ-IAGOWNOFSA-N 281.484 4.562 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2167602978 FALJVPHDBYDYLU-MLHJIOFPSA-N 275.480 4.621 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)c2c(F)cccc2Cl)C1 2168549014 SSVUJMIADOOUNH-HOCLYGCPSA-N 295.785 4.623 30 10 CJEE CC1(C)CCC[C@@](O)([C@]2(C#N)CCCC(C)(C)C2)CC1 2168549136 ULGYCWLYSYRMDP-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE 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285.378 4.977 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@]12CCCC[C@H]1CCC2 2187480702 MRNQVPGDBMSVKH-RCCFBDPRSA-N 291.555 4.596 30 10 CJEE CCc1ccc(C#N)c(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1 2188834105 PBCIKFYEOHFZKN-CJNGLKHVSA-N 271.404 4.714 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@H]1CC2(CCCCC2)O1 2189582879 KDKAVQZOIQXCHX-DOTOQJQBSA-N 275.436 4.978 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2F)CCC1 2189684793 MRQGVZBZPDOUOX-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE C[C@@H]1[C@@H]2CCCC[C@@H]2CN1CC1(CS)CCCCCC1 2192740898 ZAIXAVUQVFOTKT-ZACQAIPSSA-N 295.536 4.767 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@H](CC)CC(=O)O 2193294742 GJLMTTFVBNNPEV-HZPDHXFCSA-N 285.472 4.606 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 2193812238 UJUFJSUXSBIZOJ-BHUQQCALSA-N 285.456 4.811 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCC2(CCOCC2)C1 2195493401 SQQTUYLRYSYKJF-QGZVFWFLSA-N 281.484 4.628 30 10 CJEE C=C1CCC(C[C@H](O)[C@H](c2ccccc2)C(C)C)CC1 2196505002 UJVCMFFSSDNJKV-OALUTQOASA-N 272.432 4.924 30 10 CJEE CCCCCCCN(C)Cc1ccsc1CNC(C)C 2196716708 NSZJEXTWCOIJOR-UHFFFAOYSA-N 296.524 4.648 30 10 CJEE C#CC[C@H](C)COc1cccc(Oc2ccccc2)c1 2196718235 FLADHOVEWDIZIV-HNNXBMFYSA-N 266.340 4.517 30 10 CJEE CCCCCCCCN(C)CC[C@@H](NCC)C(C)(C)C 2196737259 ACBWVVJOVGJMAF-QGZVFWFLSA-N 284.532 4.693 30 10 CJEE CCCCCCCCN(C)CC(C)(C)[C@@H](C)NCCC 2196738274 IEWUKUAODNJGOH-QGZVFWFLSA-N 284.532 4.693 30 10 CJEE CCC1CCC(C=O)(C[C@H]2C[C@H]2c2ccccc2)CC1 2200388992 DTKIIRFIZLCQIX-BEVRRMAYSA-N 270.416 4.966 30 10 CJEE CCCCCC#CC[C@@H](CC1CC(F)(F)C1)NCCC 2203788462 YQPAUKDSBCAUPF-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1CCCC1(F)F 2203811625 YCVFDYANNXMBDC-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@@](N)(CC(C)C)c1ccccc1 2203829943 YVGWIJVIBKMBAX-LJQANCHMSA-N 271.448 4.861 30 10 CJEE C=CCCCCCC[C@]1(CNC(C)(C)C)CO[C@H](C)C1 2206889240 AGCNNYKGUNLBLJ-AEFFLSMTSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCOc1cc(F)c(C)cc1[N+](=O)[O-] 2206896057 ZVDXQOWDWNIURL-UHFFFAOYSA-N 281.327 4.558 30 10 CJEE C=CCCCCCCN1CCS[C@H](c2ccccc2)C1 2206896613 GNBNZCGSIXHRCN-SFHVURJKSA-N 289.488 4.913 30 10 CJEE C=CCCCCCC[C@H](NN)C(C)(C)C1CCCCC1 2206896890 IZDRHGYAGUGDLG-KRWDZBQOSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(O)CC[C@@H]1CC 2207377848 PGBQSKFGOFNFRX-WMZOPIPTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2207381687 KQXXJMNAUPVEJT-BCDXTJNWSA-N 279.468 4.545 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@H]1C 2207397868 WKFGUEGCYLCUNH-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCNc1cccnc1OC 2207435077 GDTDPBMEPSIWEO-UHFFFAOYSA-N 276.424 4.809 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1CCCOC1 2207435399 HHWNBXGUNMEAOY-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)C1CCOCC1 2207439373 VACAUOGFFGLRFD-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](O)Cc1ccncc1 2207439703 VUKABUXQDKCVAU-SFHVURJKSA-N 275.436 4.682 30 10 CJEE C=CCCCCCCC[C@@]1(C=O)CCCSC1 2214612467 CHWFHBTZAQDFPL-HNNXBMFYSA-N 254.439 4.615 30 10 CJEE CCCC1CC(C#N)(c2cccc(Cl)c2Cl)C1 2214752784 CRKOHVCIBQRYQZ-UHFFFAOYSA-N 268.187 4.965 30 10 CJEE CCC[C@H](C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2218649159 NDEOWMKZKXUWHD-JOYOIKCWSA-N 284.186 4.606 30 10 CJEE C=CCCCCCCC[C@](C)(O)C1CCSCC1 2220088990 XTDXLAUULBOBCR-INIZCTEOSA-N 270.482 4.797 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CC=CCC1 2220097965 QUBNQFHIJYOYAV-MRXNPFEDSA-N 250.382 4.714 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@@H]1OC 2220553837 ALUQSLUYLICJNM-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC(=O)[C@H]1C 2223219897 OLPVTFCPXLBQBD-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225290744 UMTATTHMEPNSGE-LVQVYYBASA-N 260.421 4.908 30 10 CJEE C=C([C@H](NCC)C1C[C@H]2CCC[C@H](C1)C2)C(C)(C)C 2225313391 HPKUNEGLYQEREZ-ZOBUZTSGSA-N 263.469 4.783 30 10 CJEE CCCCC[C@H]1CC[C@H](C(=O)C#CP(C)(C)=O)CC1 2225503646 KIDUDCPASXNGGC-SHTZXODSSA-N 282.364 4.526 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CC=CC[C@H]1C 2227265029 FSDVFHFNDLAJPJ-WBVHZDCISA-N 264.409 4.960 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)CCCCCC 2227275883 ZEDZXBOBBZBWDY-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCOc1cccc(OC)c1F 2227280851 PCCFGSPCDURPJU-UHFFFAOYSA-N 266.356 4.740 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1C[C@@H]2C[C@@H]2C1 2227281229 FNLARKXXQQEUJC-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCN1CCSC2(CCCC2)C1 2227283442 ZVQANXMPOLZIIK-UHFFFAOYSA-N 281.509 4.875 30 10 CJEE C=CCCCCCCC[C@H](N)C[C@@H]1C[C@H]1C(F)(F)F 2227287412 LMLFPNRMBWQWKX-HZSPNIEDSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CCS[C@H](C)C1 2227288580 PXJQHYLWPOITAR-ZBFHGGJFSA-N 284.465 4.890 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](F)C2CCC2)CC1 2228152052 KTWKQRJUKKNQHB-IRXDYDNUSA-N 267.432 4.629 30 10 CJEE CCCCCCCCCO[C@H](C)CNCCCCC 2231018346 UIXYNLILHPSITO-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)C1CCCCCC1 2231035977 ZRIWSURRVKVLCD-MRXNPFEDSA-N 266.425 4.677 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1c(F)cccc1Cl 2231484931 XMPGBCJWQHFXBH-CHWSQXEVSA-N 283.818 4.602 30 10 CJEE C=CCCCC[C@@H](N)[C@](C)(O)CCCCCCCC 2231934894 MZTVBPUKJSERPI-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCCOC[C@@H](C)CNCC(C)C 2234051026 LGVYBPLLFPFQMI-SFHVURJKSA-N 283.500 4.801 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)c1scc(C)c1C 2234261740 NMVOSZRRXUEBFT-KRWDZBQOSA-N 289.488 4.989 30 10 CJEE C=CCCCCCCCn1ccc(CNCC)c1CC 2235514749 XNSNSZWVCQSWRE-UHFFFAOYSA-N 276.468 4.687 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CO[C@H](C)C1 2235521481 JTRYQFHADZHDOA-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCOC[C@H](O)C12CCC(CC1)C2 2239466549 FURYVRNGNRHMLK-ADKAHSJRSA-N 282.468 4.695 30 10 CJEE OC1(C#Cc2ccc(Cl)cc2)CC2(CCCCCC2)C1 2239484283 VYQMHKJZWSYJNP-UHFFFAOYSA-N 288.818 4.557 30 10 CJEE CCCCCCCCCCOC[C@H](NC)c1nccs1 2239493257 RCSUFXDCXWMIQK-HNNXBMFYSA-N 298.496 4.561 30 10 CJEE CCCCCCCCCCOCc1cc(CN)c(C)o1 2239511418 VAYVACRMQZSUIP-UHFFFAOYSA-N 281.440 4.704 30 10 CJEE CCCCCCCCCCCOc1nc(C)c(CO)s1 2239549601 RLZXELVOHKMXDZ-UHFFFAOYSA-N 299.480 4.853 30 10 CJEE CCCC[C@H](CC)[C@H](O)C#Cc1ccc(CCC)cc1 2239739744 UGRXIWVQCLGZDK-RBUKOAKNSA-N 272.432 4.568 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(C(C)(C)C)cc1)NCC 2240142752 VQEJFLFRFVLNDZ-SFHVURJKSA-N 273.464 4.861 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccccc1COC 2240612010 ATLSCGXBFOAYBG-SFHVURJKSA-N 277.452 4.758 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCCC[C@H]1CCO 2240666052 JMENFPCZUBFCFK-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H](C)c1ccc(C)cc1 2240823429 PXPMWTISKISIAE-MJGOQNOKSA-N 271.448 4.660 30 10 CJEE Cc1cc(Cl)cc(C(=O)C2=CC[C@H](C(C)C)CC2)c1N 2240859482 CVQUHTIHMMRLIC-LBPRGKRZSA-N 291.822 4.796 30 10 CJEE O=C[C@@]1(CC(Cl)=CCl)CCCCC12CCC2 2246226214 JBCQHFQKWOJRMC-ZDUSSCGKSA-N 261.192 4.625 30 10 CJEE CCCC(C#N)(CCC)c1ccc(Br)c(F)c1 2250029376 XZZFUHSNKIUSDW-UHFFFAOYSA-N 298.199 4.950 30 10 CJEE CCCCCCSCc1cc(F)cc(C#N)c1 2253018448 ZAXNGWKGTYJWAH-UHFFFAOYSA-N 251.370 4.511 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)CC1(C)CC(C(F)(F)F)C1 2253689246 SPUUVAMEHNETJP-WTIISPKJSA-N 259.315 4.685 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2257487424 MPBLSEHUHBMEOG-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@@H]1CCC[C@H]1C(F)F 2257842484 UDEWBGXXNWIUHA-YWPYICTPSA-N 255.352 4.778 30 10 CJEE C=C(C)CCCCC(=O)c1csc2c1CCCC2 2259237540 NJRNRMGUEAAJLS-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE CCCC[C@](C=O)(CC)CC1CC2(CC(C)C2)C1 2259547745 UJKFLARBLREWAI-ONNPGMOUSA-N 250.426 4.988 30 10 CJEE O=C(CC#CC1CCCC1)c1cccc(Cl)c1Cl 2261157461 WGKIUVHACIMFMQ-UHFFFAOYSA-N 281.182 4.760 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)CC)OCCN 2262523723 JOKIOXCLKVJIPD-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE C=C[C@@H](C)C[C@@H](O)CCC12CC3CC(CC(C3)C1)C2 2265162868 ZKGIGXXSEIRATD-JRHYKELJSA-N 262.437 4.556 30 10 CJEE C[C@](C#N)(CC1CC2(CCCC2)C1)c1ccccc1 2265212053 QKWPSIHZOHWOHK-QGZVFWFLSA-N 253.389 4.828 30 10 CJEE C=CCCCC[C@H](NCC)c1cc2cccnc2s1 2265468143 BOTDOLDOXZEPHG-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(O)cc1C 2267798271 ZDWOKZCEZRUNBZ-QGZVFWFLSA-N 263.425 4.841 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C[C@H](C)C(C)(C)C 2268814513 YKQWQIOUOGQWPZ-HOTGVXAUSA-N 263.469 4.643 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)C#CC2CCCCC2)CC1 2273992235 GJJRDPZTYQODGS-KBAYOESNSA-N 262.437 4.538 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1scc(C)c1Cl 2274073593 TXWUESLLZIFNQA-AWEZNQCLSA-N 295.879 4.944 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C)C[C@H](C)O 2278244129 RHIFYBNGEWAYFH-IKGGRYGDSA-N 271.489 4.512 30 10 CJEE C[C@@](C=O)(CC[C@H]1CCCCC12CC2)c1ccccc1 2279671908 UYIFVSCRILBKSL-MSOLQXFVSA-N 270.416 4.894 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)c2csc(C3CC3)c2)C1 2283080112 CQEHGULFUCGUSF-WBVHZDCISA-N 289.444 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccnc(C(F)F)c1C 2283185919 RWEMAPOPCNJPAP-TZMCWYRMSA-N 280.362 4.874 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C(C)(C)C1CCCCC1 2284089313 ACQHOJQGBYNNOS-QGZVFWFLSA-N 275.480 4.916 30 10 CJEE CCN(CC)c1ccc(CC=CC#CC(C)(C)C)cc1 2284096287 RHOTUSVOEUEIBG-UHFFFAOYSA-N 269.432 4.681 30 10 CJEE CC(C)(C#N)CCCOC1(C)C2CC3CC(C2)CC1C3 2287237806 DAUSEPRXAIMMEE-UHFFFAOYSA-N 275.436 4.548 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(C(F)(F)F)c1F 2287409467 VBNHNWAIWKFIHF-ZDUSSCGKSA-N 289.316 4.981 30 10 CJEE C=C(C)CCCC[C@H](N)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287409635 XGFYHJBLEVJMHC-JONQDZQNSA-N 285.422 4.912 30 10 CJEE CCCCCCCCCCCCN[C@]12COC[C@H](C1)C2 2288695215 GZFFSFZGCHQJRR-IYARVYRRSA-N 281.484 4.676 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H]1CCCCC12CC2 2289860430 VHDVEGPFXXUQIU-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@H](C[C@H]1C=CCC1)OCCC(=O)O 2291131676 PAKHNQRAKZIWEJ-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)c1cc(C)ccc1Cl 2291455417 GBXJRZBONJCGOC-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCCC[C@H](CC1CCCCCC1)OCCC(=O)O 2292035755 CMHHALYYVXDUSH-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](CC1CC(CC)C1)OCC(=O)O 2292457578 PWRKJQPIEQAQLY-GPANFISMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1CCC)OCC(=O)O 2292506561 ZEHMRYXINVHSEO-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C 2292803849 ZEECVRHBZOEOAX-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](CC)(OCCN)[C@H]1CC1(C)C 2293406038 WCKMHQSEHQEGAK-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@]1(OCCCN)CCCC2(CCCCC2)C1 2293449235 QHVKJEQLMADSKM-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@@H]1C1CC1 2293467802 XNZMOXFFNLPXRL-QZTJIDSGSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2293517777 ZTGLCLAEQOJWJA-XYJFISCASA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@@H]2CC[C@@H]21 2294356492 PAHAFIBYBCPPSL-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2cc(C)c(C)s2)CCC1 2294536838 XFEVNYSTXWCYNI-OAHLLOKOSA-N 293.476 4.518 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1CC 2294559019 IXAMPTCDFGTLTE-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1(C(C)C)CC1 2294567338 GCCDQCJRGOFOMH-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@@H](CC(C)C)C1 2294661643 GTFFGSGWILUQFF-ROUUACIJSA-N 281.484 4.683 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2ccc3ccc(Cl)cc3n2)C1 2294976372 IWGKAGPCJWWZKB-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C1CCCC1 2295522296 MHYPATPUVYSPLE-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nsc(C2CC2)n1 2295585409 MKQQFALQAYCFLZ-INIZCTEOSA-N 295.496 4.730 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1OCCC1(C)C 2295677359 BTKLVXQRIIZFGU-DLBZAZTESA-N 283.500 4.920 30 10 CJEE Cc1cc(OC(C)C)cc(C)c1C(=O)C=Cc1ccco1 2295967962 PIAIYJRPTMCXAG-UHFFFAOYSA-N 284.355 4.580 30 10 CJEE C=CCCC[C@H](O)c1cc(C2CC2)ccc1Cl 2301336807 STUJTJGFZAHLGU-HNNXBMFYSA-N 250.769 4.607 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cscc1CC 2304024296 JTOUWNBKUPYJHG-CABCVRRESA-N 251.439 4.563 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)sc1C 2304053451 VUXNZGZCKMPZAX-AWEZNQCLSA-N 251.439 4.618 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H]2C[C@H]1C[C@@H]2N 2308987754 UELZSSXNTFPNDN-VGWMRTNUSA-N 255.421 4.593 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@H]1CF 2313501561 YHBKBMROUDGRJX-PMPSAXMXSA-N 257.437 4.711 30 10 CJEE C=CCCCCC[S@](=N)(=O)CC1CCC(C)CC1 2313807130 NNZFVGSIYGUHKB-JMLCCBQJSA-N 271.470 4.606 30 10 CJEE CCCCCCCC[C@@]1(O)C[C@H]2C[C@H]1CC21CC1 2317170117 ONPHALJHSAPTEY-HLLBOEOZSA-N 250.426 4.678 30 10 CJEE CC1CC(C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2318623447 ABCDJEHZXZWCMM-UHFFFAOYSA-N 285.214 4.931 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC1(C(C)(F)F)CCC1 2321122555 DNZSAFKWEWFVLC-CYBMUJFWSA-N 258.352 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC1CCCCC1)NC 2321134415 OAMDNBCAERMLES-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](O)CC1CC(C)(C)CC(C)(C)C1 2321227169 BQMRDZGHNFEYHL-DZGCQCFKSA-N 252.442 4.802 30 10 CJEE CCCCC[C@@H](C)Oc1ccc(C#N)c(SC)c1 2328524375 ZSNOFRRQRCJOKO-GFCCVEGCSA-N 263.406 4.628 30 10 CJEE CSc1cc(N[C@@H](C)c2cccs2)ccc1C#N 2328525835 NVHSVLUGNYTOQO-JTQLQIEISA-N 274.414 4.515 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2332722552 SYUDSQRRJXAVQA-DZJNRPSUSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)Sc1ccccc1CNCCC 2335236129 USHCUIJSXWEHFB-UHFFFAOYSA-N 275.461 4.799 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)CCCC(C)C)C1 2337651562 QJGHKZONTXWMJU-BRWVUGGUSA-N 265.441 4.674 30 10 CJEE CCCCCCC[C@@H](CCC(CC)CC)OCCN 2338162604 WLEWZXJIWUTTNI-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=CCCSc1ccc(C[C@H](N)CC)c(C2CC2)c1 2339164900 DQDNDZUIIMWXKW-OAHLLOKOSA-N 275.461 4.512 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1ccc(F)c(C)c1Cl 2339199828 GQURSXOHPCLIEY-ZDUSSCGKSA-N 283.818 4.520 30 10 CJEE C#Cc1ccccc1NCC[C@H](C)CCCC(C)C 2339925323 UXARAWMNYXSASM-MRXNPFEDSA-N 257.421 4.932 30 10 CJEE CC(C)c1ccc(F)cc1N[C@H](C)CC(C)(C)C#N 2340227079 JSPFOGXVZQHTMS-GFCCVEGCSA-N 262.372 4.689 30 10 CJEE CN(C[C@@H]1CC[C@H]1C(C)(C)C)C[C@H](CS)C(C)(C)C 2343296158 WWPKXNHYCQZVIN-RRFJBIMHSA-N 285.541 4.583 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc(C(C)C)c1 2343601854 UMSGTWKDUMGEQX-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@@H](C)C(F)(F)F)NCC 2344348117 HTUWAMPKKMNVRA-MCIONIFRSA-N 279.390 4.936 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CC[C@H](C(C)C)C1 2351999465 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N#Cc1c(Cl)cccc1Nc1cccc(Cl)c1 70138296 HWQRLTVMHVWLHH-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCC[C@@H](C)Oc1nc2ccccc2cc1C#N 71390575 DWSYCDFNAJBZGX-CQSZACIVSA-N 282.387 4.844 30 10 CJEE CC(C)Oc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1 77085226 ZDEKKUWFMRMWPO-UHFFFAOYSA-N 283.371 4.903 30 10 CJEE SCCCN1c2ccccc2Sc2ccccc21 90745283 VSGUBZQNHFGUOP-UHFFFAOYSA-N 273.426 4.609 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297294 PERQLSCMQXLHBY-CKEIUWERSA-N 271.429 4.986 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1c(C)cc(OCCC)cc1C 107647602 MMPMECOYGVEWGM-XJKSGUPXSA-N 258.405 4.855 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@H](CCC)NCC 110083826 WSHOULSFNSYFMW-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCN(CCC)[C@@]1(CN)CCC[C@H](C)C1 110106908 FJYDISKIJFVPJI-OALUTQOASA-N 296.543 4.967 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccc(F)c(C(F)(F)F)c1 111036102 ZPBXZINOJXWBHG-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)ccc1OC 111849371 FSSBUHGUMGEYLJ-AWEZNQCLSA-N 270.800 4.743 30 10 CJEE CCCCCCCCO[C@H]1CC(C)(C)CC[C@H]1NCC 112847226 GKJTVUHXJZFPBT-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCn1ncc(CNC)c1C 112932277 FARHRAXVSRRDNR-UHFFFAOYSA-N 293.499 4.832 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OCCC)cc1 113746097 YNKZQKCRIHFYON-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE CCCCCCCCC[C@@H](O)CSCC(C)C 114864790 XRTKDLULLWPVHQ-OAHLLOKOSA-N 260.487 4.877 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCC)C1(CC)CC 117340098 VFRMFPOPSYDWSU-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](N)C(CC)(CC)N(C)C 118168360 VKSDNQLTFHVTPX-QGZVFWFLSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@@H](N)C1(N(C)C)CCCCC1 118180939 CXLNVNSCHVPJML-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](O)C1(C#N)CCC(C)(C)CC1 118274016 IHBWQGGVNHXAMP-HNNXBMFYSA-N 265.441 4.818 30 10 CJEE CCCCCCCCCCC[C@H](Cc1ccco1)NN 124570303 NQDHMMRTQPSTMB-MRXNPFEDSA-N 280.456 4.575 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C#N)nc1 125904098 GOJGKXFJPNTDNY-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCC[C@@H](CSc1ccc(F)cc1)NN 126930756 ULMNOOXOFOABPS-HNNXBMFYSA-N 298.471 4.500 30 10 CJEE CCCCCCCCCCSc1nc(C)cc(N)n1 134424088 XTHVOVIHXRYRPK-UHFFFAOYSA-N 281.469 4.600 30 10 CJEE Cc1cc(Oc2ccc(C(F)(F)F)cc2C#N)ccc1F 135346896 QTIFYMYTGYMSGE-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE CCCCCCCCCCC(=O)c1snnc1CC 135635369 IAUTUVHGGSOQNS-UHFFFAOYSA-N 282.453 4.814 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(C)CCCS1 140389955 ODPVHDFQGUBDEG-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE N#CC1(Cc2ccc(F)c(F)c2)CCCCCCC1 149833846 NBPXQKNFPWYPEA-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE Cc1cc(C)cc([C@H](O)C2(C#N)CCCCCCC2)c1 156811985 LVAHZSRTDHFTAI-KRWDZBQOSA-N 271.404 4.591 30 10 CJEE N#CC1([C@@]2(O)CCC[C@@H](C3CC3)C2)CCCCCCC1 156819180 MEEDHPIVMUOBHY-SJLPKXTDSA-N 275.436 4.572 30 10 CJEE CCCCCCCCOc1c(F)cccc1/C=C/C(=O)O 165944303 GCPRLBBIINNWMP-VAWYXSNFSA-N 294.366 4.663 30 10 CJEE C[C@H](NCc1ccccc1C#N)c1ccc2ccccc2c1 182270742 YGZTZGRPYCKCNQ-HNNXBMFYSA-N 286.378 4.562 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H](C)c1ccc(Cl)cc1 221053700 WKVDQPIUTJRFLW-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 227535715 QGFHDVFZTMAIRT-JYJNAYRXSA-N 263.469 4.783 30 10 CJEE O=C(Cc1cccc(Cl)c1Cl)C1=CCCCC1 228852767 MEIINXMRNPCIJJ-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE C=C(CC)C[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229759094 XLFNURCEQRKYQB-UPMGZUDPSA-N 275.480 4.927 30 10 CJEE CCCCCCCCC(=O)c1ccc(C)cc1OC 232924172 XFZYLEFQDGJIHI-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CSCCCCCNc1ccc(C#N)c2ccccc12 235188182 KGYJNMWOFAQXOO-UHFFFAOYSA-N 284.428 4.657 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)c2scc(C)c2Cl)c1 235929336 KAVVGHMATONYOD-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Br)cs1 236537261 QRGSAGXAXZDFOY-NSHDSACASA-N 289.238 4.681 30 10 CJEE CC(C)c1ccc(O[C@H]2C[C@H](C)CC[C@@H]2C#N)cc1 252159903 PSDBGMJSOKYLIY-UNEWFSDZSA-N 257.377 4.517 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 252747913 CZBJEMWATZQWJQ-KURKYZTESA-N 263.469 4.621 30 10 CJEE CSc1cccc(N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 252818856 MHXIWFYBEXYIEW-RFGFWPKPSA-N 286.444 4.517 30 10 CJEE COc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 254407295 AOXSRRLJOBTTBI-UHFFFAOYSA-N 253.345 4.569 30 10 CJEE C[C@](C#N)(Cc1ccccc1)c1cccc2ccccc12 259453765 FYRHIWFOJHDOKC-HXUWFJFHSA-N 271.363 4.864 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC=C(C)C1 280668295 LINKBGBKIZSNHE-UHFFFAOYSA-N 298.430 4.722 30 10 CJEE C=CC[C@@H]1CC[C@@H]2[C@@H](C)CCC[C@H]2N1C(=O)OC(C)(C)C 309595274 WSKQKIUMMYRGCD-ZJIFWQFVSA-N 293.451 4.767 30 10 CJEE CCCCCCC[C@H](CC1CCC(C)(C)CC1)NN 311706476 MWKKEIHNPWLFKJ-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE Cc1ccc(N[C@@H](C#N)[C@@H](C)C2CCCCC2)cc1 311758332 VUPWMNDZDXUDTG-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE CC(C)(C)C(C)(C)Nc1ccc(C(F)(F)F)c(C#N)c1 313228044 SBMSXJPJJNWAES-UHFFFAOYSA-N 284.325 4.814 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(OCc2ccccc2)cc1 313505544 OWGOJORTLOKPDV-KRWDZBQOSA-N 295.426 4.882 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C=O)CCc2ccccc21 316657022 RUZBYEPWOILXOD-CRAIPNDOSA-N 258.405 4.676 30 10 CJEE C=CC[C@@H](CC)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 393737178 AOXQFYSCFRKJTM-MRVPVSSYSA-N 289.162 4.668 30 10 CJEE CC(C)(C=O)Oc1ccc(Cl)cc1C1CCCCC1 395684263 BNTXNPNPIXVYLX-UHFFFAOYSA-N 280.795 4.744 30 10 CJEE N#C[C@H](CSc1nc2ccccc2s1)C1CCCC1 397193369 KQTKFLPJEAKKQR-GFCCVEGCSA-N 288.441 4.718 30 10 CJEE CCCCCCC[C@H](CC(F)(F)C(F)F)NCC 400899979 LDJRFEDVELSONQ-LLVKDONJSA-N 271.342 4.616 30 10 CJEE C=CCCC[C@H](NCCC)[C@H](CC)CC(F)(F)F 402611378 GRTSRWBALISTDC-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE CC(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 512620252 PKNZITSGXVUAAY-CQSZACIVSA-N 296.389 4.672 30 10 CJEE C=CCCCN(C)C(=O)CCCc1ccc2ccccc2c1 538301109 KEKRTLDOJTZEIB-UHFFFAOYSA-N 295.426 4.587 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@H](C)O[C@@H]1C 686463828 ZNTUPMPBRRLQFH-RCCFBDPRSA-N 283.500 4.919 30 10 CJEE CCc1cc(C)cc(CC)c1N=C1N[C@@](C)(CC)CS1 690199121 AIUOQHSTFWEJML-KRWDZBQOSA-N 290.476 4.612 30 10 CJEE C=CCCCCCNc1c(C)cccc1Br 690356759 BDYYQPIVFAEELZ-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=C(C)CCNc1ccc(OCc2ccccc2)cc1C 691047264 GMDQSOQPQJPCLA-UHFFFAOYSA-N 281.399 4.952 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc2cscc2s1 694387289 VGARANKWKSRXEC-LLVKDONJSA-N 251.420 4.580 30 10 CJEE CCCCCCCCO[C@@H](CNC(C)C)CC(C)C 695082174 UERRSWRKZQBSHT-QGZVFWFLSA-N 271.489 4.776 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1cc(Cl)ccc1Cl 695801478 SUBCGSKMPAXXGQ-VIFPVBQESA-N 272.175 4.701 30 10 CJEE CC[C@H](C)c1ccc(O[C@H](C)CC(C)(C)C#N)cc1 695810450 DRDZHCYRIKHOGF-UONOGXRCSA-N 259.393 4.907 30 10 CJEE CCCCCCCC[C@H](N)CCCOC1CCCC1 699938952 VHAXUXZPMAXNGR-INIZCTEOSA-N 269.473 4.804 30 10 CJEE C=CCCCCC[C@H](C(=O)O)C1CCCCCC1 699968966 ACQWGKOUFPNUTQ-HNNXBMFYSA-N 252.398 4.794 30 10 CJEE CCCCCCCN[C@H](CC)c1ccccc1F 703759400 HNYFJSHYVCVNJU-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCC[C@H]1C(F)(F)F 704045393 CUJVBMWGKIHHPP-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@](C)(N)[C@@H]1C[C@H]2CC[C@H]1C2 704448646 GIBHTMZAGIPGPD-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE SCCCCCCCCCN1CCC12CCCC2 707152350 ONVMSOMSDMVOJO-UHFFFAOYSA-N 269.498 4.665 30 10 CJEE C=CC[C@H](C)[C@@H](NCC(C)C)[C@@H](C)c1ccccc1 715786526 GYUOXXFZHITODW-XYJFISCASA-N 259.437 4.617 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC2(CCC2)O1)NC 716900676 OMPUSRUXVVCSEK-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CCCCCCCCCN[C@@H]1CCO[C@H](C(C)(C)C)C1 721800085 IJWKVBGXRSUDCF-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@@H]2CC3CCC2CC3)CC1 724574578 DRKSOZCWOOZQMD-OBHHBEAMSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C(=O)OCCCc1ccccc1)c1ccccc1 1124181419 VMIWSLAPQAVHSP-LJQANCHMSA-N 294.394 4.522 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H](CC)CCCC 1124880955 SVUFOZMAUBFLGK-QGZVFWFLSA-N 287.447 4.808 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@@H](CC)C(C)(C)C)cc1 1126455494 YPGSUHQLBPNTIP-CQSZACIVSA-N 290.403 4.619 30 10 CJEE C=C[C@@H](OC(=O)CCc1ccc(C)cc1C)c1ccccc1 1130934027 AYHAXPWVQMWDAG-LJQANCHMSA-N 294.394 4.707 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccc(CC)cc2)C1 1165742727 CGCIRTYJPLJEFZ-FUHWJXTLSA-N 299.458 4.557 30 10 CJEE C=CC1CCN(C(=O)NC[C@H](C)CCCCCCC)CC1 1224219040 CEHSZSUJRYWOIR-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C#Cc1cccc(NCc2cc3cc(C)c(C)cc3o2)c1 1308347072 PMCHZXKNBAGHLX-UHFFFAOYSA-N 275.351 4.643 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1cccc(Cl)c1Cl 1350953443 GPYOGTNCKZWRRI-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(C(C)(C)C)ccc1OC 1354746211 UXORLJCMOTYYRF-ZDUSSCGKSA-N 289.419 4.534 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCCC[C@@H]1CC(C)C 1360815098 QYEHHXABTIRBPI-QGZVFWFLSA-N 277.452 4.572 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(SC(C)C)cc1 1458274142 QCJWIIQXBXOSGV-AWEZNQCLSA-N 291.460 4.662 30 10 CJEE C=C(C)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1459960189 GVQAGYDXJKTNEC-HIFRSBDPSA-N 283.337 4.507 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Br)c(C)cc1OC 1462051502 RBGVGOJZQNKZGY-LLVKDONJSA-N 298.224 4.533 30 10 CJEE C=CCCCN1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C 1473817802 YMXDGFBHCFUDLG-CYBMUJFWSA-N 297.364 4.638 30 10 CJEE C=CCC1(NCc2ccc(CC(C)C)nc2)CCCCC1 1474147196 ZDKOLRMKLUEAFC-UHFFFAOYSA-N 286.463 4.649 30 10 CJEE C#CCCCCCCN(C)[C@H](c1ccccc1)C(F)(F)F 1474371627 KISKWMDABGVJMG-MRXNPFEDSA-N 297.364 4.806 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CSc2ccccc21 1474542056 QKOHODZGQVTWAG-JKSUJKDBSA-N 289.488 4.991 30 10 CJEE C=CCC[C@H](CCC)NCC1CCC(SC)CC1 1474704403 AVVNXTIPOXJMHI-PCKAHOCUSA-N 269.498 4.633 30 10 CJEE C=CCC1(C(=O)O[C@@H]2CCC[C@@H](C)[C@H]2C)CCCCC1 1521314636 ZHUOLRMWASKVMA-BZUAXINKSA-N 278.436 4.881 30 10 CJEE C=C(C)c1cccc(NC(=O)C=C2CCC(C)CC2)c1 1585978124 YNFKOBPMWRGGMY-UHFFFAOYSA-N 269.388 4.795 30 10 CJEE C=CCCCCCCN[C@H]1CCC[C@@H](C2CCOCC2)C1 1620931827 LWITZINFUYSRJM-MOPGFXCFSA-N 293.495 4.698 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCO2 1621542218 SGXJAIQBZAHOBF-JKSUJKDBSA-N 287.447 4.797 30 10 CJEE C=C[C@@H](C(=O)NC[C@@H](CCC)CCCC)c1ccccc1 1622298647 NPMYWSYIQGGCKX-FUHWJXTLSA-N 287.447 4.679 30 10 CJEE C=C1CC(C)(C(=O)N[C@@H](CC(C)C)c2ccccc2C)C1 1629027129 GQNFPWPPDXZDMT-KRWDZBQOSA-N 285.431 4.555 30 10 CJEE C=CCOCCN[C@@H](CCC(C)C)c1ccc(Cl)cc1 1642457487 OTAKGOSQGGMSLT-KRWDZBQOSA-N 295.854 4.610 30 10 CJEE Cc1cc(C#N)ccc1CSC[C@@H](C)c1ccccc1 1643904603 DAZSGYOLTWTRNC-OAHLLOKOSA-N 281.424 4.904 30 10 CJEE C=CCCCCCN[C@H](c1ccccc1C)C1CC1 1645041538 NZAQYRIUPZJKGO-SFHVURJKSA-N 257.421 4.782 30 10 CJEE C=C(CC)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1645044302 IFABAVZEXPCDIL-UHOFOFEASA-N 263.812 4.593 30 10 CJEE C=CC[C@H](C)Nc1nc(-c2ccccc2)nc2ccccc12 1650757437 PSUJMYKKULPPHP-AWEZNQCLSA-N 289.382 4.673 30 10 CJEE C=CCCN(C)Cc1ccccc1-c1ccccc1C 1652209914 LDWFCXOQNYQEEG-UHFFFAOYSA-N 265.400 4.670 30 10 CJEE C=CCCCCCN(C)[C@H](C)c1sc(CC)nc1C 1657381457 YQEXZOVHGQSXHR-CQSZACIVSA-N 280.481 4.753 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)CCCC2 1657677124 AYXNPRMFBPNNPA-HNAYVOBHSA-N 271.448 4.961 30 10 CJEE C=CCCN(C)Cc1ccc(Cl)c2ccccc12 1658284073 RZONOMRALMLIBM-UHFFFAOYSA-N 259.780 4.501 30 10 CJEE C=C(C)[C@@H](N[C@H](C)CC1CCC1)c1ccc(F)c(F)c1 1658895577 MAWZEIBTFZCVTF-SJKOYZFVSA-N 279.374 4.750 30 10 CJEE C=CCCc1ccccc1N[C@H]1C[C@@H](OC(C)C)C1(C)C 1659572531 WQZOSLYEYYXRBS-ZWKOTPCHSA-N 287.447 4.809 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 1659808633 PXVLDVOZBVOCSG-RTBURBONSA-N 285.475 4.980 30 10 CJEE C#CCN(Cc1ccc(Cl)c2ccccc12)C(C)(C)C 1660237473 HLLLAAVGJJGGKA-UHFFFAOYSA-N 285.818 4.727 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCc3cccc(C)c32)c1 1665183696 GVHRJWMCPCXJFI-UHFFFAOYSA-N 292.382 4.623 30 10 CJEE CCc1ccc(C#N)c(N[C@@]2(C)CCC(C)(C)C2)c1 1878912013 LLPZHPOSUVCHFX-KRWDZBQOSA-N 256.393 4.501 30 10 CJEE CCCCC[C@](O)(CC)[C@@]1(C#N)CCCCC12CC2 1879224263 XZVMVMDBOFOECW-IAGOWNOFSA-N 263.425 4.572 30 10 CJEE CC#CCCC[C@@]1(CNCCC)CCCC12CCC2 1879647948 RQRZVOQRBDBXEQ-SFHVURJKSA-N 261.453 4.520 30 10 CJEE Cc1ccc([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 1885274985 QMPNYADKNTWLDP-CHWSQXEVSA-N 292.615 4.598 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cnc(C(F)(F)F)s1 1886967973 BJAOOKRBJDQMCT-JTQLQIEISA-N 292.370 4.559 30 10 CJEE C#CC[C@@H](C[C@@]1(C#N)CCCC(C)(C)CC1)C1CC1 1887427019 GIPHKRGGMFXTMQ-FUHWJXTLSA-N 257.421 4.926 30 10 CJEE C=C(c1ccccc1)[C@@H](O)[C@H]1CCCC(C)(C)CC1 1888711778 MDTYKNFAEFAYAI-DLBZAZTESA-N 258.405 4.667 30 10 CJEE C=CCC[C@H](C)c1cc(F)ccc1Br 1895555550 ULJBLSRPWNYHKA-VIFPVBQESA-N 257.146 4.658 30 10 CJEE CCCCCCCCCC[C@H](N)C(F)(F)C1CC1 1912519673 ZQRPSZAKGHJWIC-AWEZNQCLSA-N 261.400 4.890 30 10 CJEE C=CCC1(Nc2nc(C(C)(C)C)nc(Cl)c2C)CCC1 1913967202 XXBZFVREGFWIQI-UHFFFAOYSA-N 293.842 4.647 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc(C(=O)CC)cc1 1914547808 JKRVJDBMWMFUJU-UHFFFAOYSA-N 293.410 4.862 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc2c1O[C@H](C)C2 1919524489 NLLGTXSMFQSHGF-KDOFPFPSSA-N 275.436 4.544 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(F)ccc1F 1920460018 HHLLSXUFJNUKAB-MRXNPFEDSA-N 269.379 4.889 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)C1=CCCCCC1 1920810022 DYSLZAYLNXPVID-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE O=C[C@]1(C[C@H]2Cc3ccccc3S2)CCCC12CCC2 1921585456 GHYSLBQCTDXZMV-CRAIPNDOSA-N 286.440 4.633 30 10 CJEE CCCCCCC[C@@H]1NC[C@@H](C(F)(F)F)C[C@@H]1C 1922671692 UHLSWQAWNAFTQB-AVGNSLFASA-N 265.363 4.523 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cscc1CC 1948002356 BBAWMOJDWNWLPU-HNNXBMFYSA-N 251.439 4.708 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(Cl)c(F)c1 1949412551 ZQHQQOWPYPBCCK-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE C=C1C[C@H]1CN(Cc1ccccc1)[C@H](C)c1cccs1 1954407406 AIBYVPQRTIBITO-WBVHZDCISA-N 283.440 4.887 30 10 CJEE C#CCCCCSc1ccc(Cl)c(Cl)c1 1961946107 HUODIQVSPRPQEE-UHFFFAOYSA-N 259.201 4.889 30 10 CJEE CC(C)(C)c1ccc(SCc2ccc(C#N)cn2)cc1 1968416760 IMLCRMXDJHOPAP-UHFFFAOYSA-N 282.412 4.543 30 10 CJEE CC(C)(CNc1cccc(Cl)c1C#N)CC(F)(F)F 1972938174 OTJLTNVKFJNKJM-UHFFFAOYSA-N 290.716 4.602 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2(Br)CCC2)C1 1980273464 DYQOJVMWLGPUGG-CYBMUJFWSA-N 284.241 4.804 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1cc(Cl)ccc1C 1996471666 VKHURCMBUVUYBP-DOMZBBRYSA-N 251.801 4.511 30 10 CJEE C=CCC[C@H](C)Cc1cc(Br)cc2c1OCC2 1996475121 UOVDHUDYYOIDLE-NSHDSACASA-N 295.220 4.529 30 10 CJEE CCCC[C@@](C)(C#N)Cc1c(F)cccc1Cl 2000511684 DILQWVDKEOBPNY-CQSZACIVSA-N 253.748 4.742 30 10 CJEE C=CCCCCCCCCCS[C@@H](C)[C@H](C)O 2026310826 UPMDKONORZFUHW-GJZGRUSLSA-N 258.471 4.796 30 10 CJEE CCCCC[C@@H](CC)OC[C@H](CS)CC1CC1 2026320729 GGTICQUFWBBLSV-HUUCEWRRSA-N 258.471 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CSC(C)(C)C 2028135711 XJZBKHIPQZWNDM-KFWWJZLASA-N 269.498 4.631 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C[C@]2(C=O)CCCC[C@@H]2C)C1 2031828745 SPSXMMSEQSWTGN-NNXHMXCWSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@H](C[C@@H]1[C@@H](C)C1(F)F)NCC 2034366956 GBTBZJQXIJWJNU-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE C=C([C@H](O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(C)(C)C 2035435191 PCWIEUPKDRLTOJ-FPCVCCKLSA-N 250.426 4.556 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(CSC)cc1 2037101203 VBXPHUZRRBPNJC-MRXNPFEDSA-N 263.450 4.686 30 10 CJEE CC1(C)CC[C@H]([C@H](C#N)Sc2ccccc2F)C1 2037682471 MNQONZBXKLEVIT-FZMZJTMJSA-N 263.381 4.636 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccsc2C(F)(F)F)C1 2039901933 QARWUZIAZVAPFI-BXKDBHETSA-N 273.323 4.639 30 10 CJEE C=CCSc1ccccc1NC(=O)C=Cc1ccc(C)o1 2040475829 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CC(C)[C@@H]1CCC[C@@H]1CNc1cc(Cl)ccc1C#N 2120035325 NFMGKUFLODLABF-HIFRSBDPSA-N 276.811 4.696 30 10 CJEE CCCCN(c1cc(Cl)c(C#N)cc1F)[C@H](C)CC 2120885218 VQUFZKKUZBZCFY-LLVKDONJSA-N 282.790 4.756 30 10 CJEE C=CCCCC[C@@H](N)c1ccc(OCCCC)cc1 2123079590 FIDZRFSKZPENMM-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE C=C1CC([C@H](NCCC)c2ccc(C(F)(F)F)s2)C1 2125662324 STHYLDIYLGXWJC-ZDUSSCGKSA-N 289.366 4.774 30 10 CJEE C=C1CC(C[C@]2(CNC(C)(C)C)CCC[C@@H](C)C2)C1 2125745506 YKCDHFCUQPFDDF-KDOFPFPSSA-N 263.469 4.927 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@](C#N)(CC)C(C)C)CC1 2127921284 LVZWFOBRPBVNPA-IXDOHACOSA-N 265.441 4.674 30 10 CJEE C[C@@H]1CC[C@H](Oc2cc(Cl)c(F)cc2C#N)C[C@H]1C 2127970955 LVCFFXIUOFVFIG-FOGDFJRCSA-N 281.758 4.554 30 10 CJEE CC1(C)CCC[C@](C#N)(CCCOCC2CC2)CC1 2128317743 RGTRYMRPRPASTE-KRWDZBQOSA-N 263.425 4.693 30 10 CJEE C=CC[C@](C)(Nc1cccc(C(C)C)n1)C(F)(F)F 2129851054 JQRQNHLMSJWMPL-ZDUSSCGKSA-N 272.314 4.514 30 10 CJEE CCc1ccc(C#N)c(N[C@H]2CCCC[C@@H]2CC)c1 2132309827 GGSAYIIMOLVAQM-HOCLYGCPSA-N 256.393 4.501 30 10 CJEE C=CC1(CNC2CC(C3CCCC3)C2)CCCCC1 2132975775 ORNGBZDBKUJHAD-UHFFFAOYSA-N 261.453 4.681 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CC3(CCCCC3)O2)C1 2133051393 ODRPAUWJOUMCNQ-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C3C[C@@H]4C2[C@@H]4C3)CC1 2134660137 JCOVUPDCGJUUQT-BAXBNOSGSA-N 257.421 4.635 30 10 CJEE CCCCCC#CCN(C)CC1(C(C)(C)C)CCC1 2139024126 CLZVKUGRXXYTFI-UHFFFAOYSA-N 263.469 4.718 30 10 CJEE CCCCC#CCC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 2139048145 HPUDAMPRABEKDA-QWHCGFSZSA-N 274.326 4.508 30 10 CJEE C=CCCCCCC[C@@H](N)CSc1ccccc1C 2141909585 UDSNKAPUYVEOIF-MRXNPFEDSA-N 277.477 4.941 30 10 CJEE C=CCCCCCCN1CCCC[C@H]1c1nccs1 2141920273 UUEKVKUSILBXAW-HNNXBMFYSA-N 278.465 4.807 30 10 CJEE C=CCCCCCCNc1c(F)c(F)cc(F)c1F 2141920804 HCMHPGXNQNOJLQ-UHFFFAOYSA-N 275.289 4.791 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1ccc(Cl)o1 2142403832 GBVGTYDTHORAOL-CYBMUJFWSA-N 284.831 4.744 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@]12CC2(F)F 2142433999 YCTIOTMLLOCIOI-CABCVRRESA-N 271.395 4.681 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H](N)CCC 2142441018 KFFIVOWDVGXPLW-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCC[C@](C)(O)c1ccccn1 2142448569 PMOUWXVDAFHELG-KRWDZBQOSA-N 261.409 4.596 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H](C)C1CC1)NN 2142449590 BORKJAJJGVPJGJ-WBVHZDCISA-N 266.473 4.561 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC[C@H]2C[C@H]1CO2)NC 2144279882 PBPDGZSWRDPPNV-OWSLCNJRSA-N 281.484 4.530 30 10 CJEE Cc1ccc(COc2cccc3ccsc23)cc1C#N 2144679315 XFJQMGMYEQCADG-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE CCCCCCCCOC1(C(=O)O)C[C@@H](C)C[C@H](C)C1 2144981220 OZMZGJMBKXZKFZ-GJZGRUSLSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CCCC[C@H]1C1CC1 2147218814 BLZCQFWMITTXOJ-WMZOPIPTSA-N 280.452 4.637 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1ccccc1 2148588009 FJHFORVSAWUAKK-MSOLQXFVSA-N 277.452 4.578 30 10 CJEE CCCCCCCCC[C@@H](N)[C@]1(O)CCCC2(CC2)C1 2148598891 GFTLJYNQTDYBBM-AEFFLSMTSA-N 281.484 4.540 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](O)C1CCC1 2148622167 WXNQOURWZKMWEP-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE C=CCC[C@](C)(O)[C@H](CCCCCCCCC)NCC 2148624921 KUAJXERMUGLRIL-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H]2CCCC[C@H]2C(F)(F)F)C1 2149117421 MCBPGIQLJVTYOA-RBSFLKMASA-N 289.385 4.643 30 10 CJEE CCCCCCCCCC(=O)NC1C[C@@H]2[C@@H](C1)C2(C)C 2149752705 YFLKXYUMNLJYBD-HZPDHXFCSA-N 279.468 4.678 30 10 CJEE CC(C)c1ccccc1[C@@H](N)CC#CC1CCCCC1 2149870733 OKJCIFXCYHJDFF-IBGZPJMESA-N 269.432 4.784 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1[C@@H]2CCCC[C@@H]12 2150181004 QEOYXPBTMFHSFN-HZPDHXFCSA-N 297.552 4.871 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@@H](NC)CC1 2151116668 FFAKUUSTURJSKG-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc2nsnc12 2151641656 OYROHPXRILIWES-CYBMUJFWSA-N 291.464 4.530 30 10 CJEE CCC1(CC)CSC(=N[C@@H]2CCCC3(CCCC3)C2)N1 2151824844 CKFPAYHWGOHKKK-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCCCCCCO[C@H]1CCCC(F)(F)[C@H]1NCCC 2152691277 OOVAYLTXILOFCU-GJZGRUSLSA-N 291.426 4.529 30 10 CJEE N#C[C@]1(NC2CCCCC2)CCCCCCCC1(F)F 2153000745 HOCDALMPNUXTLL-OAHLLOKOSA-N 284.394 4.551 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCNC1(C)C 2153540768 XNCLJMHPJFLWSO-MRXNPFEDSA-N 281.484 4.865 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)nc1 2154850700 WRYSEXFRKMCQCV-AAEUAGOBSA-N 284.325 4.647 30 10 CJEE N#C[C@]1([C@H]2CCC3(CCCC3)C2)CCc2ccccc21 2155210228 MAAOULDQKUCBLV-LPHOPBHVSA-N 265.400 4.755 30 10 CJEE N#C[C@@]1([C@H]2CCC3(CCCC3)C2)CCc2ccccc21 2155210229 MAAOULDQKUCBLV-QFBILLFUSA-N 265.400 4.755 30 10 CJEE C=CCC[C@@H](C)Oc1c(Cl)cccc1CNCC(C)C 2158322548 CTDOYBFQUSQSTM-CQSZACIVSA-N 295.854 4.819 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2cc(C)c(C)s2)C1 2159472794 WVNPLHSXFREAEF-VYDXJSESSA-N 290.476 4.515 30 10 CJEE Cc1ccc(C[C@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 2159814952 PISAXVKIZKJKQC-ZDUSSCGKSA-N 284.790 4.563 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@H]1CC12CCC(F)(F)CC2 2163370897 LNMZTQSAJNIIST-KFWWJZLASA-N 283.406 4.536 30 10 CJEE CCCCCCCCCC[C@@H](CC#CC(C)(C)C)NN 2164502623 QQCNBFJHFBIXNL-KRWDZBQOSA-N 280.500 4.789 30 10 CJEE CC1(C)CC(F)(F)CC[C@]1(O)CC#CC1CCCCC1 2165012384 GDVROSGYCMFMNN-MRXNPFEDSA-N 284.390 4.537 30 10 CJEE CC(C)[C@@H](C#N)CN(C)[C@@H]1CCCCC12CCCCC2 2166317217 SPABKQGZBCYKME-DLBZAZTESA-N 276.468 4.607 30 10 CJEE Cc1ccc([C@@H]2CCCCN2CC2(CS)CCCC2)o1 2171746464 LBOANZNGBBATGP-HNNXBMFYSA-N 293.476 4.605 30 10 CJEE C=CCCC[C@@H](Cc1nc2ccccc2s1)NCCC 2173111570 KXTAADNYXDTDOY-AWEZNQCLSA-N 288.460 4.563 30 10 CJEE C#CCCCC[C@]1(CNC(C)C)CCCCC12CCC2 2173591550 ZMGHFXPHSGGMNP-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCC[C@](O)(C[C@]1(C#N)CCCCC1(C)C)C(F)(F)F 2173631412 CTWYDMSQYZDLDT-KBPBESRZSA-N 291.357 4.580 30 10 CJEE C#Cc1ccccc1CN[C@H](CC)CC1CCCCC1 2175893234 NHIRBKBFNNOMBK-LJQANCHMSA-N 269.432 4.507 30 10 CJEE CCCCCCC[C@@H](NCCC)C1(O)CC(C)(CC)C1 2179312701 BWFLJTYRQBUKCO-WWDZGPRUSA-N 283.500 4.656 30 10 CJEE C=C1CC(C[C@H](NCC)C2CCC(C(F)(F)F)CC2)C1 2182173833 PEZZLANONWCXEE-NRXISQOPSA-N 289.385 4.690 30 10 CJEE CCC(CC)(CC)CN(C)Cc1ccc(C)c(C#N)c1 2182265319 VJDQATAESDZZET-UHFFFAOYSA-N 272.436 4.515 30 10 CJEE C=C(F)C[C@@H](NCCC)C1(c2ccccc2)CCCC1 2182511787 JCWNIWHHWKPXPN-QGZVFWFLSA-N 275.411 4.740 30 10 CJEE C=CC1(CNC[C@H]2CC23CCC(F)(F)CC3)CCCC1 2189512709 PVAQWHCHAXMAFV-CQSZACIVSA-N 283.406 4.538 30 10 CJEE C=CC1(CN[C@H](C)c2nc3ccccc3s2)CCCC1 2189514793 MPWDYZSUFWGYBY-CYBMUJFWSA-N 286.444 4.693 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@@]12CCC[C@H]1C2 2190975064 QMWUVMPEOIIQLI-BQFCYCMXSA-N 280.452 4.637 30 10 CJEE C=CCOc1ccc([C@@H](O)C[C@H]2CC[C@H](C)CC2)cc1 2192817959 KKSOCIVQAPDGLS-MPGHIAIKSA-N 274.404 4.501 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(F)c(F)c(F)c2)CC1 2194697577 PBBIVHYAQMAHQQ-LLVKDONJSA-N 283.337 4.501 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@@H]1CCCOC1 2195483696 JJRIXKIGTPJHAV-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2195670082 PGNLDCMSIHATCY-UJWQCDCRSA-N 277.496 4.961 30 10 CJEE CCCCCCCCCCN(C)CC[C@@H]1OCC[C@H]1C 2195678518 DRSYNUULUAUCRC-MSOLQXFVSA-N 283.500 4.874 30 10 CJEE CCCCCCCCN(C)[C@@H](C)CCCNC(C)(C)C 2196701581 ULAKKYNJBLWYQI-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE C#CC[C@H](C)COc1ccc(Oc2ccccc2)cc1 2196720511 UYRNSVAMJHJXDS-HNNXBMFYSA-N 266.340 4.517 30 10 CJEE CC(C)CN(C[C@@H](C#N)C1CCC1)C1CCCCCC1 2197125043 GINSOPYXYZPOFE-QGZVFWFLSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@]12CCOC2)NCCC 2198179137 HZRTUMNPAGNORP-RCCFBDPRSA-N 281.484 4.532 30 10 CJEE CC(C)(CCC#N)CNC[C@@H]1C[C@H]1C1CCCCCC1 2200083229 JUXSDEHJFOBYPP-IRXDYDNUSA-N 276.468 4.512 30 10 CJEE Cc1cc(C)c(C)c(C[C@]2(C#N)CCCC(F)(F)C2)c1 2203103442 MGWXDBSJYRBYBC-MRXNPFEDSA-N 277.358 4.874 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@H]1CCCCC12CC2 2203786071 CLWJBZIKFGCBGV-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2203788980 AAHGPYXTXVLHRU-MANSERQUSA-N 275.480 4.765 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(SC)cc1)C1CCCCC1 2203799276 XCGGDQHUBYOHSO-KBXCAEBGSA-N 287.472 4.641 30 10 CJEE C#C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C1CCCCC1 2203799385 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C=CCCCCCCCCC[C@H](NC)[C@](C)(O)C(C)C 2207410636 RKSJGFNFKIEWIN-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCSc1cc(C(=O)O)ccn1 2207410818 AWTJFJGDKDPXMS-UHFFFAOYSA-N 293.432 4.789 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CC(C)(C)CO1 2207413112 IRCHGRKPGSFRTD-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1CC[C@H](CC)C1 2207433769 AMSVTJPJCAAXKY-KSZLIROESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCN(C)Cc1ccccc1O 2207435887 KMFNRQBFFQVSMK-UHFFFAOYSA-N 275.436 4.741 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CC[C@H](CC)O1 2207437488 QNYFGLORVUSQAF-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1C[C@@H]2C[C@H]2C1 2207437589 OMSPHYUMJYZNLO-BQFCYCMXSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@H](C)C1CCCC1 2207446741 FGFGHMZTHXUINQ-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H]1CNC[C@@H](CC2CCCC2)O1 2207456414 JSIHYDRFUMHIKJ-ZWKOTPCHSA-N 281.484 4.674 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2213340402 UGAAWLTUMAMSNK-SNVBAGLBSA-N 290.259 4.755 30 10 CJEE C=CCCCCCCC[C@@](C)(O)[C@@]1(C)CC1(F)F 2220084925 VHDAICWJBZUEPM-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1cc(Cl)cc(Cl)c1 2222146821 LSDCVFYLFIDVKA-ABAIWWIYSA-N 284.230 4.692 30 10 CJEE CCCCCCCCCOc1cc(Cl)nnc1Cl 2223167337 IUYZFLPJGQOQJJ-UHFFFAOYSA-N 291.222 4.913 30 10 CJEE CCCCCCCCCO[C@H](CN)c1cccs1 2223213724 VMRBZULUWJUQSK-CQSZACIVSA-N 269.454 4.515 30 10 CJEE C=CCCCCCCCCOCc1nccc(Cl)n1 2225679368 PKCNLQSHCFJSGT-UHFFFAOYSA-N 282.815 4.563 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CCCC1(C)C 2227281347 QWLKIXMDRFWMOF-HZPDHXFCSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc(O)c1Cl 2227289974 XWIDKMAXRVFCLA-AWEZNQCLSA-N 281.827 4.962 30 10 CJEE C=C1C[C@H]1C[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227509450 SHMLPKHBXCXICJ-UONOGXRCSA-N 298.257 4.870 30 10 CJEE CCCCCCCOc1c(CNCC)sc(C)c1C 2229215019 FGOUFAKHANUYCM-UHFFFAOYSA-N 283.481 4.824 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)c1ccc(Cl)cc1 2231093310 DTKNJWHAGNIHTR-OAHLLOKOSA-N 280.795 4.674 30 10 CJEE CCc1cc(Cl)ccc1Nc1cc(C#N)cc(Cl)n1 2231788415 GNCOZVYKDXLHFG-UHFFFAOYSA-N 292.169 4.566 30 10 CJEE CCCCCCCC[C@@](C)(O)CC[C@@H](C)NCCC 2231907075 NUIMDCYJMAZWQB-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccccc1CO 2231924949 KEKLICDPVKYDRW-HNNXBMFYSA-N 263.425 4.730 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CC2C[C@H]3CCC[C@H](C2)C3)C1 2233739161 AQQLGRFXEJFGAO-UOVPBQLFSA-N 275.436 4.692 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1ccc(CC(C)C)cc1 2234695024 MOKQYBUQYVRLOE-VQIMIIECSA-N 271.448 4.584 30 10 CJEE C#C[C@@H](CC(C)C)NC(=O)CCCCCCCCCC 2234696858 ARBYMULPWGHCMS-KRWDZBQOSA-N 279.468 4.681 30 10 CJEE CC(F)(F)c1cc(Oc2cc(Cl)cc(C#N)c2)ccn1 2234909105 KBFRSOWFSAYCQI-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE C=CCCCCCCCn1ccc(CNC(C)(C)C)c1 2235514217 RQDJMQXWKHKMLP-UHFFFAOYSA-N 276.468 4.903 30 10 CJEE C=CCCCCCCC[C@@H](O)c1coc(C(C)(C)C)n1 2235521755 MJTUSOHNCSKFIN-OAHLLOKOSA-N 279.424 4.922 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@H](C(C)(C)C)C2)C1 2238160305 ZVDMHWGAPLFMON-FZCLSBEQSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCOCc1c[nH]c(=NCC)s1 2239491067 XJNQHECMRZMVOS-UHFFFAOYSA-N 298.496 4.654 30 10 CJEE C=C[C@H](CCCCC)O[C@](C)(C(=O)O)c1csc(C)c1 2239499631 BIAKEDXSURWVDO-ZBFHGGJFSA-N 296.432 4.508 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCCCC[C@@H]1NCCC 2239511084 RLGMMVIUADUCPN-FGTMMUONSA-N 281.484 4.839 30 10 CJEE CCCC[C@H](CC)C(=O)C#Cc1ccc(CCC)cc1 2239723450 ADGZBXXEWZNLGQ-SFHVURJKSA-N 270.416 4.776 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)CCO[C@@H](C)C1 2240115356 AVSDIGCVQMJRLB-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE C[C@@H]1C[C@](C#N)(Cc2ccc(C3CCC3)cc2)CCS1 2240363870 IILYHCOUTXPXKF-KDOFPFPSSA-N 285.456 4.922 30 10 CJEE CCCCCCCC[C@@](C)(OCC1CCCC1)C(=O)O 2240617573 GWISUSHMGDBAQD-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CC1CC(CS)(CSC2CCC(F)(F)CC2)C1 2246841544 ILSLWNMRVOGTRA-UHFFFAOYSA-N 280.449 4.644 30 10 CJEE C=C(C)CCCC[C@H](NC)c1sc(C)cc1C 2250164445 URCBEZAWIDRCDP-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE CCCCCCC[C@@H](C)NC1CC2(CC(C)C2)C1 2254144702 VLVFYMFZELJUTG-ZKDDFBJFSA-N 251.458 4.904 30 10 CJEE CCC1CCC(C=O)(CCCC[C@@H]2C[C@H]2C)CC1 2254586029 NWDBRBYYHJSWMQ-KZYLPZIUSA-N 250.426 4.988 30 10 CJEE CCCCCCCN(C)Cc1cc(Cl)nc(Cl)c1 2258723532 KWJKDDURVWZFFL-UHFFFAOYSA-N 289.250 4.791 30 10 CJEE C=C(C)CCCC[C@H](Cc1cccc(Cl)c1)NC 2259236328 AMAMKYOAEPBOMV-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(CCF)CC1 2259237313 MEKCBRKJWVYGKK-HNNXBMFYSA-N 255.421 4.631 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2261167699 LGOUIMCYJOGTDE-OAHLLOKOSA-N 283.198 4.611 30 10 CJEE CCCCCCCCC[C@](C)(O)C1[C@@H]2CCC[C@@H]12 2263658883 BMLYSWDDCLJLGR-INMHGKMJSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2C[C@@H]2C1 2263707510 CDCVPRAWBIJPAV-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=C1CCC(CC(=O)C2(C)CC(C(F)(F)F)C2)CC1 2264627149 HNOGBJJBOJVCLS-UHFFFAOYSA-N 274.326 4.671 30 10 CJEE C=CCCCCCCNCC1(C)CC(C(F)(F)F)C1 2264692099 AJPYSAPCPLZKAN-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE C(CCCC12CC3CC(CC(C3)C1)C2)CC[C@H]1CO1 2265015245 BFNLTFXQESIJDF-LESVLKBLSA-N 262.437 4.942 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)CC2(CS)CC(C)C2)CC1 2265311104 BXWWVDFGVZOYTB-GMRIPVOYSA-N 283.525 4.623 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H]2CCCCC2(F)F)C1 2267903514 GDAFJTPSSXFRFC-YIYPIFLZSA-N 287.419 4.873 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cc(Cl)ccc1OC 2268076309 FNFXAALVHIUYBF-LBPRGKRZSA-N 281.827 4.602 30 10 CJEE C=CCCCCCC[C@H](O)c1cccc(OC)c1Cl 2268078665 TVTGMQHAXVTUDB-AWEZNQCLSA-N 282.811 4.909 30 10 CJEE COc1ccc(C)cc1CCC=CC#CC(C)(C)C 2268748571 QWEGEDDXEUEKIV-UHFFFAOYSA-N 256.389 4.542 30 10 CJEE CC[C@H](C[C@@H](O)CC=CC#CC(C)(C)C)C(C)(C)C 2268827249 CCDFGZZCXCFRMB-CVEARBPZSA-N 264.453 4.806 30 10 CJEE C=CCCCCCCCS[C@H](C)C[C@](C)(C#N)NC 2271513061 BNPOVVTVZYULCX-HZPDHXFCSA-N 282.497 4.526 30 10 CJEE C=C(C)CCCCC(=O)[C@H](OCC)C1CCCCC1 2271745552 RXHXHECEXRAMDA-QGZVFWFLSA-N 266.425 4.677 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc2occc2c1 2271753691 NVJCWNJYTVWUJL-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=CCC[C@H](CCCCCCCC)OCCC(=O)O 2274889897 VAIYHBQDUKKPPG-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@@](C)(CCCC)OCCC(=O)O 2276108733 OHMNIXKGUSKBGJ-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cc(C)c(C)s1 2277001283 VODFFXMRDMSKFK-HNNXBMFYSA-N 281.465 4.518 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1(C)CC(C)C1 2277225934 NYCJWHJSGNUVBM-AQFXKWCLSA-N 269.473 4.517 30 10 CJEE SCCCCCCCO[C@@H]1CCCc2ccccc21 2277443767 UBBMHBOBZKXCSE-QGZVFWFLSA-N 278.461 4.961 30 10 CJEE CN(CCCCCCCS)[C@@H]1CCCC2(CCC2)C1 2277501987 JKEOFVRXIPYJAJ-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE C[C@@H]1CCC[C@H](CCC2(C#N)Cc3ccccc3C2)C1 2279805378 HLGJSECBULKOIF-HZPDHXFCSA-N 267.416 4.902 30 10 CJEE Cc1cc(N[C@H](C)[C@]23CCCC[C@@H]2C3)cc(C)c1C#N 2280570303 KVGCHEDPNPGCIF-IIDMSEBBSA-N 268.404 4.556 30 10 CJEE C=CCCCCCCCOCCCCC1CCNCC1 2283217831 GLVPNBICEGXWHO-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]1(C)CCCC(F)(F)C1 2284082329 ULILZSWYYYQOJT-INIZCTEOSA-N 282.374 4.767 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc(F)c(Cl)cc1F 2284096936 WCKBJZRJEJLUPZ-HNNXBMFYSA-N 298.760 4.647 30 10 CJEE 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CWUYKKOZEDKOEG-ROUUACIJSA-N 284.532 4.834 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NC(C)C)[C@@H]1C 2295761469 NYTVQRCEIWOVTA-ZACQAIPSSA-N 296.524 4.749 30 10 CJEE CCCCCCSC[C@](C#N)(NC1CC1)C1CCCC1 2295765789 HECSXPWUBDDCCN-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1c(Cl)cccc1Cl 2301037457 PQDWEAMWGRORMQ-CQSZACIVSA-N 271.187 4.795 30 10 CJEE C=CCCCCCCN(C)c1ccccc1Cl 2301365521 SGQHNLQMXFSOHP-UHFFFAOYSA-N 251.801 4.913 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C[C@@H]2CCC[C@H]2C(F)F)C1 2313066659 GBDQXBVSVUNGFZ-XPCVCDNBSA-N 255.352 4.778 30 10 CJEE C=C1CC(C[C@H](NC)c2ccc(Cl)c(Cl)c2C)C1 2316948036 VFHGFIHTOSDMIX-AWEZNQCLSA-N 284.230 4.919 30 10 CJEE C=C(C)C[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NCCC 2320251054 WVGHZEGTFGJTBO-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CC1(C=O)CCCCCC1 2320314287 JLYJPENOXDCBHW-GJZGRUSLSA-N 250.426 4.988 30 10 CJEE CCC(CC)(CS)COC[C@H]1CCC(C)=C(C)C1 2320402539 SYJFBYBDWPNKSH-HNNXBMFYSA-N 270.482 4.876 30 10 CJEE C=CC[C@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1 2321115403 FLMRGYLUPXHOPU-ZFWWWQNUSA-N 251.458 4.769 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCCOC(C)(C)C)C1 2321963756 NAVWKEFFUSIWLW-MRXNPFEDSA-N 251.414 4.692 30 10 CJEE N#C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CC=CCC1 2325193257 QRIMAQFLDBGHJZ-CQSZACIVSA-N 284.161 4.925 30 10 CJEE CSc1cc(SCC2CCCCC2)ccc1C#N 2328541576 WLHHRQSPGDPWFT-UHFFFAOYSA-N 277.458 4.953 30 10 CJEE C=CCC(CC=C)Oc1ccc(CNC(C)(C)C)s1 2335108167 ZXCXXHBZLNBYCJ-UHFFFAOYSA-N 279.449 4.536 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNCC(C)C)cc1C 2335242171 OTJJSZOBGCUKEC-HNNXBMFYSA-N 277.477 4.797 30 10 CJEE CC(=CC[C@]1(C#N)C[C@@H](C)O[C@H]1C)CCCC(C)C 2338442833 OPZREADZDPRZJT-IXDOHACOSA-N 263.425 4.856 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(C(C)(C)C)cc1 2338691377 RFOFUTJUHDXRIJ-QGZVFWFLSA-N 258.405 4.786 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Cl)c(F)c1 2338739457 WCWVJKMYDMBOAV-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE CCCCCCCCCC[C@@H](N)C#C[C@H]1CC1(C)C 2339561503 AVGXYMGCLNDSJP-DLBZAZTESA-N 263.469 4.894 30 10 CJEE C=CCC(CC=C)SC[C@@H](CCC1CC1)NCCC 2340821660 IQGQWZZTZDLVNE-MRXNPFEDSA-N 281.509 4.799 30 10 CJEE C=C([C@H](C[C@H]1CC[C@@H]1C1CC1)NCCC)C(C)(C)C 2342350371 XNYHHYMXSHFLGX-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE CCC1CCC(C=O)(CC[C@@H]2CC[C@H]2C2CC2)CC1 2342384664 VSILOBBMBAKPMA-YCHGYYGWSA-N 262.437 4.988 30 10 CJEE CCCCCC#CC[C@@]1(C(=O)O)CCC(C)=C(C)C1 2343303058 SWBMKMQGNLYPSV-QGZVFWFLSA-N 262.393 4.552 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CC1(C=O)CCC2(CC1)CC2 2343335202 RFXLTTFZBJHJHB-CABCVRRESA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)NCC 2344337415 QJJOYHCDARYDFH-FPSMNIFISA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@@H]1C(C)C 2351996921 OGSWKDSUGWFCFO-GDBMZVCRSA-N 282.449 4.520 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@H]2CCCC[C@H]21 2353829919 HCKLMHIYTCJPAY-YLFCFFPRSA-N 284.509 4.954 30 10 CJEE CSc1cc(NC[C@H]2CCC[C@@H](C)C2)ccc1C#N 2353830782 OMZDEFUFONQNTR-OLZOCXBDSA-N 274.433 4.518 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1C[C@@H]2CCO[C@H]12 2358111759 INHOMHGMTUEGBJ-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC[C@@H](O)CC[C@H]1CC[C@@H](N)C1 2358323300 JJRJDBLOJADKNE-KZNAEPCWSA-N 281.484 4.562 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)C1[C@@H](C)[C@@H]1C 2360082890 IKIJZWOKRDPSCY-YESZJQIVSA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CCCC2)CC[C@H]1NC 2360205647 ORNYSWGMCFPCGW-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE CN(C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 35250471 YJKYNWVMICCZRM-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)C2CCCC2)C1 37147059 PKMPCEUDPPHJJS-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2C#N)c(C)c1 37334070 SGOOIHLQWLAOLL-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)c(C)c1 37936000 ORDIJVANBSFUNQ-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](c1cccs1)N(C)C 59090299 RLLGIJCTZAZTFC-HZPDHXFCSA-N 296.524 4.689 30 10 CJEE CCCCCCCNc1cc(OC)ccc1OC(F)F 59436626 JFIJYMVLVJSSTF-UHFFFAOYSA-N 287.350 4.679 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 68618522 AVQDLIALHUXIOU-GYSYKLTISA-N 296.336 4.814 30 10 CJEE CCC[C@@H](CS)COc1ccc(Cl)cc1Cl 87078614 VLZHNMKQWLNOTP-SECBINFHSA-N 279.232 4.718 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(Cl)c2)C1 87972876 XALLPJMJBCPKMQ-XJKSGUPXSA-N 261.796 4.993 30 10 CJEE CC1CCC(C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 93634221 TZCNSKCROAMWTQ-UHFFFAOYSA-N 292.766 4.511 30 10 CJEE C[C@H]1C[C@H](OCC2(CS)CCCC2)CC(C)(C)C1 94584010 ZAHPBGCLMYAOEH-KBPBESRZSA-N 270.482 4.708 30 10 CJEE CC(C)[C@H](CS)Cn1c2ccccc2c2ccccc21 94586233 AGNUBVJAEAUZHK-AWEZNQCLSA-N 283.440 4.997 30 10 CJEE CC(C)Cc1ccc([C@@H](C#N)NC2CCCCCC2)cc1 94896979 FBEDGDDVFGNAPP-LJQANCHMSA-N 284.447 4.762 30 10 CJEE C=C(C)CC[C@@H](NCC)c1oc2ccc(F)cc2c1C 97419348 PQWYOKGOKYWALB-OAHLLOKOSA-N 275.367 4.887 30 10 CJEE CCc1ccc(Nc2cc(Cl)ccc2C#N)cc1 103995621 RCMWTRVNUNOIJI-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCCOCCNc1ccccc1Cl 104001333 LWBIJBJEYHWQNI-UHFFFAOYSA-N 269.816 4.739 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1C#N 104176303 HKLTZRRYEWCVLT-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE CC#CC[C@@H](C)c1cc(C)c(C)cc1Br 107479760 VLEGGCKAWIVIKI-SNVBAGLBSA-N 265.194 4.583 30 10 CJEE CCCCCCC[C@H](C)NCc1ccccc1COC 109898451 NDVGUCTZNJFABM-INIZCTEOSA-N 277.452 4.672 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(F)c1)[C@H](C)N 109988765 ZDWMUCTVEFSZAH-WMLDXEAASA-N 281.415 4.591 30 10 CJEE CCCCCCCCO[C@H](c1ccsc1)[C@@H](N)CC 109988914 DGOKNSLJEIEWAS-JKSUJKDBSA-N 283.481 4.904 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc(Cl)c1 110252833 CHJQFWLLQLGEHH-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE Cc1cccc(Nc2ccc(C#N)c(Cl)c2)c1C 110253284 YGDDEIVBCZJZCT-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#CCc1ccc(OCc2csc3ccccc23)cc1 111234459 HFZOSEWLYBPAKJ-UHFFFAOYSA-N 279.364 4.546 30 10 CJEE CCCCCCCOc1cc(CCC)sc1C(=O)O 114192610 XGGZEVXTVXJTSP-UHFFFAOYSA-N 284.421 4.748 30 10 CJEE CCCCCCC[C@H](C)NCc1sccc1C 125834948 YBPOZHRKWHFPMZ-AWEZNQCLSA-N 253.455 4.895 30 10 CJEE CC[C@H](C1CCCCC1)n1c(S)nc2c(C#N)cccc21 126058932 ORKGNMUKMZJKDY-CQSZACIVSA-N 299.443 4.728 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 128039733 POKKNQPXPPCDCY-ZJUUUORDSA-N 258.192 4.609 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)OC 129143624 JQYQRCPTVCYTHI-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(Cl)cc(Cl)c1 130906273 NGZDQEABLAJNQI-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1cccnc1 131350830 MZUADZQAIZPPPS-KRWDZBQOSA-N 277.456 4.507 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(CC)nn1C 143408372 YBYWJNISWNMHJD-KRWDZBQOSA-N 293.499 4.774 30 10 CJEE CCCCCCCCC(=O)CC[C@@H](N)c1ccccc1 157960476 OISYHMDOWAVQFV-GOSISDBHSA-N 275.436 4.786 30 10 CJEE C=CC[C@H](C)NCc1c(CCCC)oc2ccccc12 162636104 DSTAIEIPHFBEAI-AWEZNQCLSA-N 271.404 4.830 30 10 CJEE CCCCCCCC[C@H](NCC)C(CC)(CC)OC 164555048 LMZLAUPGHJTWJA-INIZCTEOSA-N 271.489 4.920 30 10 CJEE C=CCC[C@H](NCC)c1cc2ccc(F)cc2s1 167803094 BZABTXATTYCCQL-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(OC)cs1 168180481 ASFRDXIIELKXEM-CQSZACIVSA-N 270.438 4.931 30 10 CJEE CCCCN(CC)[C@@H](C#N)c1cccc2ccccc12 213006937 LOTJLCAAFNLLCV-SFHVURJKSA-N 266.388 4.526 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1cccc(Cl)c1F 213758094 APEIINGQXZSRAX-DGCLKSJQSA-N 295.785 4.872 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 219721986 GIQSKTZRGIEJFJ-BRWVUGGUSA-N 265.485 4.887 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(F)c2)C1 227806221 AMWPYWOLVSNKLE-XUJVJEKNSA-N 263.381 4.636 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(CC)cn1)NCC 228720456 DRRVDHCBUANLGY-GOSISDBHSA-N 290.495 4.915 30 10 CJEE CCCCCCCCOc1c(CN)cc(Cl)cc1OC 229055263 LQLDSHZSNHSDIP-UHFFFAOYSA-N 299.842 4.547 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)cc1Cl 233034722 IZGCKLCLYSEGNM-GFCCVEGCSA-N 250.773 4.592 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(F)cc2Cl)C1 233923856 AGOFCKLVJZWTBA-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE N#Cc1cccc(CNc2c(Cl)cccc2Cl)c1F 236222764 PKOGURKRKZJGHN-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C 251679148 GTOHBXWPLKLUEG-NQBHXWOUSA-N 296.336 4.814 30 10 CJEE C[C@H]1CC(=Nc2ccccc2)[C@H](C)CN1Cc1ccccc1 256882204 UNELJYXELGIDJV-SJORKVTESA-N 292.426 4.690 30 10 CJEE C/C(C=NO)=C(\Cl)c1ccc(-c2ccccc2F)cc1 257352724 NALTUZHWFHPPAD-IEAFZDCBSA-N 289.737 4.923 30 10 CJEE Cc1cc2c(CCCC#N)c3oc(C)cc3cc2o1 260501693 GFCCUCDTFZTYKM-UHFFFAOYSA-N 253.301 4.642 30 10 CJEE Cc1sc2cc([C@H](CC#N)C3CC3)ccc2c1C 260817139 IDMIVHIZESRDMG-OAHLLOKOSA-N 255.386 4.925 30 10 CJEE CC(C)(C)C[C@H]1CCN(CC2(CS)CCCCC2)C1 307771869 GXFFQHJBANZXCG-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CC(C)(C)C(C)(C)CNc1ccc(Cl)cc1C#N 311144125 GXKSXHJHTCHBTK-UHFFFAOYSA-N 264.800 4.696 30 10 CJEE CC1CCC(C#N)([C@H]2CCOC3(CCCCC3)C2)CC1 312562188 RIOSRANIXQRPAI-CGZBRXJRSA-N 275.436 4.836 30 10 CJEE CC(C)C1CCC([C@H](O)[C@]2(C#N)CCC[C@@H](C)C2)CC1 312584227 KVZABMYRJITSEL-ZTJXHEDMSA-N 277.452 4.530 30 10 CJEE CCCCCCCCc1nc2ccc(N)cc2n1CC 382911835 PGYNWFQPSJDSOA-UHFFFAOYSA-N 273.424 4.541 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)cc1 383731915 AVJPGFKNQQNBQH-UHFFFAOYSA-N 251.801 4.566 30 10 CJEE CCCCCCCCC(=O)Nc1cccc(N)c1Cl 388372620 LLCWHESQHDODOY-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 388525257 VMGJOTXGTAWOJB-DFBDCSAJSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](CC)NC(c1ccccc1)c1ccccc1 393776851 YLRXACBQMUIFTE-GOSISDBHSA-N 265.400 4.720 30 10 CJEE COc1cccc(SC[C@@H](C#N)C2CCCCC2)c1 397081271 BEOPWSSLNDUUTH-CQSZACIVSA-N 275.417 4.507 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@](C)(O)[C@@H]2CC2(C)C)CC1 397870718 ZYYQVQFVAAAQKT-HGDQPMEPSA-N 277.452 4.530 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2ccc(Cl)cc21 398313146 SASFNQGFBUCWMC-SNVBAGLBSA-N 280.824 4.896 30 10 CJEE C=CCCC[C@H](NCCC)c1csc(C)c1C 399792521 YDWWXALYKQJHDO-HNNXBMFYSA-N 251.439 4.762 30 10 CJEE N#CCc1cc(-c2ccc(Cl)cc2Cl)cnc1Cl 514262887 XUWFWYYKGOOONR-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCN(C)C(=O)Nc1cc(Cl)ccc1C(C)(C)C 670057733 LBXJIDIGGUABBK-UHFFFAOYSA-N 294.826 4.677 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(Cl)ccc1F 686681454 RJRVLZPEKIKOQH-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 686693632 FKSPSNOFXUVZBC-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE Cc1ccc([C@H](C)/N=C2/NC3(CCCC3)CCS2)s1 687324160 VGFYMKUVJRCDJJ-LBPRGKRZSA-N 294.489 4.513 30 10 CJEE C=CCC1(Nc2cc(C)c3ccccc3n2)CCCC1 690703811 DLYPHOUEUOBILB-UHFFFAOYSA-N 266.388 4.844 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC1(F)F)NCCC 691201243 DDSVEUUZKUHWPE-KBPBESRZSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H](O)CC[C@@H]1CC1(F)F 691528863 VWPNMNVUSVOIKN-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C)c1 692271807 KMIQOKCWAUFOOF-JFIYKMOQSA-N 257.421 4.781 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(C1CCC1)C1CCC1 692274776 FRZPAGSLPAIPPG-PBHICJAKSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(CC)CCCNC1 696479003 YYKUKVHBOJAYBG-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCCCC 698901674 KQOXCXBWRUMKES-KRWDZBQOSA-N 294.439 4.662 30 10 CJEE CCCCCCC[C@@H](C)NCC1CC2(CCC2)C1 700795685 WNFNKZKPNGCQJA-OAHLLOKOSA-N 251.458 4.905 30 10 CJEE CN(CCCCCCCCCS)CC1C[C@@H]2C[C@H]2C1 704392689 QNDFEBOYYDIPDQ-IAGOWNOFSA-N 283.525 4.625 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Nc2cccc(C)c2Cl)C1 710739295 MMYDCPFTDZPGPL-UKPHBRMFSA-N 293.838 4.556 30 10 CJEE Cc1ccc(N[C@@H](C2CCCC2)C2CCC2)c(C#N)c1 711843124 JRUSDSFZDFPBSQ-SFHVURJKSA-N 268.404 4.638 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](C)NCCC)cc1 715759659 WCQPYJAAPFKVNU-KBPBESRZSA-N 263.450 4.804 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CC(C)(C)CO1)NCCC 717002351 KMSKSHDHPFRIJP-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCC(C)(C)n1c(=S)[nH]c2cc(F)c(OC)cc21 717664914 ANOFQMRYOHUQPH-UHFFFAOYSA-N 294.395 4.548 30 10 CJEE CSC1CCC(CNc2ccc(Cl)cc2C#N)CC1 720535633 GOBQOVMFOFAGJO-UHFFFAOYSA-N 294.851 4.545 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@@H](OC)C1)NCC 722017635 IHJPVQHVHQQNIQ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@]2(CNCC(C)C)CC2(C)C)CC1 724552884 DWNPBTJEHPTOJN-GOSISDBHSA-N 263.469 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30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccccc1C(C)(C)C 2197143065 XDYNZJJQYNNQOC-GOSISDBHSA-N 265.400 4.697 30 10 CJEE C#C[C@@H](N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(C)(C)C 2197808714 VZACGDSCOSGKJZ-KZNAEPCWSA-N 275.480 4.763 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(C)CCN(C)CC1 2198766768 XJWXIDMHUDASJE-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)C[C@@H]1C[C@H]1CCC 2200410589 DAGCZQUEMKWPOW-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCCOCc1cc([N+](=O)[O-])c(C)cc1F 2202069646 VQLOJIJFJQMAOE-UHFFFAOYSA-N 283.343 4.529 30 10 CJEE CCCC#CC[C@@H](NCC)c1cc2cc(F)ccc2s1 2203787469 NGNYEZREOVVVGC-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CCCCC(F)(F)C1 2203787745 QEGMTKBQTCPGBZ-CVEARBPZSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](NC)c1ccc(F)c(Cl)c1F 2203808794 AAAAWUOWJMTPQS-AWEZNQCLSA-N 299.792 4.853 30 10 CJEE COc1ccc(C(C)C)cc1C(=O)C1=CC[C@@H](C)CC1 2203946072 GAHDNLKBNLQKMJ-CYBMUJFWSA-N 272.388 4.748 30 10 CJEE CCCCC#CC[C@@H](NCC)C1C2(CCC2)C12CCC2 2203985418 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IGXBFBPACYTJTQ-QLOLRVAOSA-N 276.468 4.607 30 10 CJEE C=CCCCCCC[C@H](O)c1c(F)cc(OC)cc1F 2283428892 DKLFMWILBWWKMR-HNNXBMFYSA-N 284.346 4.533 30 10 CJEE CC(C)C(C)(CN[C@@H](C)c1cccc(C#N)c1)C(C)C 2283868377 FSNFUCGBYVFDLG-HNNXBMFYSA-N 272.436 4.527 30 10 CJEE CC[C@@](N)(CC=CC#CC(C)(C)C)c1cccc(C)c1 2284098240 FPLRAFYXZWCMQM-LJQANCHMSA-N 269.432 4.555 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@]1(C)C=CCC1 2284158520 KPNGVEQUHMNMNO-PKOBYXMFSA-N 273.464 4.707 30 10 CJEE OC(C#CC1CCCCC1)(C1CCCC1)C1CCCC1 2289782630 AOFCTNNCLPBJRN-UHFFFAOYSA-N 274.448 4.682 30 10 CJEE CCCNC[C@]1(CC#CC2CCCC2)CCCC[C@H]1C 2289925505 VUCBIEDRDWEMEV-IEBWSBKVSA-N 275.480 4.766 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCCCC[C@H]1C 2291450202 QXGSTDCJEGCLRJ-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)C[C@@H](OCCC(=O)O)c1ccc(C(C)(C)C)s1 2291603746 JBGRRIKPBSEVND-GFCCVEGCSA-N 296.432 4.544 30 10 CJEE C=CC1(C[C@@H](CCCCCC)OCCC(=O)O)CCC1 2292078131 SWGSWHSSCFLUGU-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1cc(C)sc1C 2292708709 FKXGIOWZEALHQO-OAHLLOKOSA-N 296.432 4.644 30 10 CJEE C=CC[C@H](C)[C@](CC)(CC1CCCCC1)OCCCN 2293752071 WWAYSDMZERJGHZ-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1C=CCCC1 2294452709 MGLFHVPNTRVPPJ-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CC(=NC[C@H](C)N=C(C)c1cccs1)c1cccs1 2294953967 PQWMSOFECDVPSP-NSHDSACASA-N 290.457 4.516 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](CO)C(C)(C)C 2295671588 RVEDTFUOTOKTTH-SJORKVTESA-N 285.516 4.760 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C1[C@@H](C)[C@@H]1C 2295688786 JIOJVHUNHARAMG-BQFCYCMXSA-N 283.500 4.763 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)c(C)c1 2304119624 LVNOTRXCZURFOS-HUUCEWRRSA-N 252.785 4.674 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(Cl)cc(F)c1Cl 2304121244 ZWNLWACDUDOOLZ-GFCCVEGCSA-N 277.166 4.768 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(C)c(Cl)cc1C 2304126441 XIQPRIKKJHLCFG-CQSZACIVSA-N 252.785 4.593 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccccc1Cl 2313531192 GKLUDGQMPSCPKH-DOMZBBRYSA-N 283.868 4.688 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1(C)CCC(C)(C)CC1 2316738029 CNFRNWNJVMFXJV-OAHLLOKOSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1cc(Cl)ccc1Cl 2316747381 QCTHBQXTDBLMFN-OAHLLOKOSA-N 284.230 4.936 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1csc(C)c1C 2316751783 HQVLCGJLABJTSV-INIZCTEOSA-N 263.450 4.784 30 10 CJEE CC1(C)CC[C@@H](CC2(C#N)C[C@@H]3CC[C@H](C2)S3)C1 2319137655 CRMMFIBAQATYHZ-GODZRQRCSA-N 263.450 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1CCC1)NCCC 2321095437 IUDSCUYPJSXWAL-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@H](C#N)C(C)C)c1Cl 2327859823 KIYVQZHSDDYHNS-GXFFZTMASA-N 285.218 4.501 30 10 CJEE Cc1cc(Cl)c(C(=O)C#C[C@@H]2CC2(C)C)c(Cl)c1 2327921516 SUWOYDXJLPUOCK-SNVBAGLBSA-N 281.182 4.534 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334313051 FUZJKTWRQQQSBY-SYAUCNOPSA-N 260.421 4.764 30 10 CJEE CCCCCCCCCC(=O)c1snnc1C1CC1 2336010028 KSNVYVZGUZWQMK-UHFFFAOYSA-N 280.437 4.739 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1CNC 2337281000 LIYDCYQOVNTHLR-UHFFFAOYSA-N 299.842 4.811 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)CCCC(C)C)C1 2337651564 QJGHKZONTXWMJU-IXDOHACOSA-N 265.441 4.674 30 10 CJEE C=CCC(CC=C)c1c2c(cc3c1CCC3)CCC2 2338733689 VAMVTZLSVLDPJB-UHFFFAOYSA-N 252.401 4.900 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(F)c(C)c2Cl)C1 2339315949 GURIHHROJRPJBE-ZDUSSCGKSA-N 281.802 4.576 30 10 CJEE C#Cc1ccccc1N[C@H]1CCC[C@@H](CCC)CC1 2339964177 LWSOKZNJTCMHLB-WBVHZDCISA-N 255.405 4.829 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(F)ccc1C1CC1 2341683980 YDODLUUBBVMHQL-QGZVFWFLSA-N 262.368 4.873 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(F)ccc1C(F)F 2344357743 RZXSQONSDPDZLK-ZDUSSCGKSA-N 271.326 4.626 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(F)ccc(F)c1Cl 2344373823 CYJHPIAVMKBPOW-HUUCEWRRSA-N 287.781 4.871 30 10 CJEE CCSc1cccc(OCC2=CCCCC2)c1C#N 2352334281 BXEIERPEUHLTNC-UHFFFAOYSA-N 273.401 4.549 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@@H]2C[C@@H]2CO1 2355816648 MYWHKKHBHKCPNC-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@H]2C[C@@H]1CO2 2360180177 UARJLXHPNHCMOG-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE C=CC[C@H](C)SC[C@@](C#N)(NC(C)C)C1CCCCC1 2360332365 BKKNFXWGTRCCHX-DOTOQJQBSA-N 294.508 4.525 30 10 CJEE CCCCCCC(=O)/C=C\c1cccc(OCOCC)c1 17105362 DEWZWTIIAAZTAH-SEYXRHQNSA-N 290.403 4.612 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(CC#N)cc2)c(C)s1 37071196 SNHVEEGZONHRQB-GFCCVEGCSA-N 270.401 4.604 30 10 CJEE CCc1ccc(CNc2ccc(C(C)(C)C#N)cc2)s1 51717496 PPOPXURZOXGINX-UHFFFAOYSA-N 284.428 4.724 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N 59083402 DBNXUNKVOUJWKG-CEXWTWQISA-N 289.463 4.637 30 10 CJEE CCCCCCCNc1ccc(OCC)c(OCC)c1 59088848 VCGIATNTPYWTPA-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE CCCCCCCCNc1cc(Cl)ccc1C#N 59426739 DTJPFOACXYSPQV-UHFFFAOYSA-N 264.800 4.984 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1C(=O)N(C)C 59471621 MSEGREKECJUIGX-OAHLLOKOSA-N 290.451 4.549 30 10 CJEE N#CC[C@@H]1CCCOc2ccc(-c3ccccc3)cc21 62661041 CXOUCNHXYHSAKY-HNNXBMFYSA-N 263.340 4.523 30 10 CJEE N/C(=N\c1cc(Cl)cc(Cl)c1)C1CCCCC1 62988805 QFIWBUPABSDLEP-UHFFFAOYSA-N 271.191 4.562 30 10 CJEE CCCCCC[C@H](C)Nc1cc(C#N)c2ccccc2n1 70078956 IYNLMQZILZLVRJ-AWEZNQCLSA-N 281.403 4.877 30 10 CJEE CC[C@@H]1CCCC[C@@]1(C#N)Nc1ccc(Cl)cc1 71162345 OAQYIELMWICPPH-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE Cc1cccc(-c2nc(C(C)C)c(CS)s2)c1 82429749 GEDIHARNFCJGIV-UHFFFAOYSA-N 263.431 4.672 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C2CCCCCCC2)cc1C 86580148 CGQATDNGBHNACH-SFHVURJKSA-N 283.415 4.840 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CCc2ccccc2C1 88034704 CHNGJZRKQMVVAL-RBUKOAKNSA-N 271.448 4.516 30 10 CJEE Cc1cccc(Cl)c1Nc1nc2ccccc2cc1C#N 90537820 IGZVLFOEASGIIV-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCCC[C@H]2C(C)(C)C)CC1 91876187 QFSLXGSUDZOACZ-QZOMQWOVSA-N 277.452 4.674 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cccc(Cl)c2)CC1 91881679 IPSQBGUWJOEQND-PWZRNIHTSA-N 291.822 4.874 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(Cl)s2)CC1 91883361 QZOYXAKIIBUIFE-WPBUFGDCSA-N 297.851 4.935 30 10 CJEE 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CJEE N#CC[C@@H](C(=O)c1cccc(C(F)F)c1)c1ccccc1 132017426 CFLPTTBQIZWUTC-OAHLLOKOSA-N 285.293 4.504 30 10 CJEE CCCCCCCCCC[C@H](N)COC(C)(C)C 143432869 KVIOSMQDHAMLQN-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1Cc2ccccc2S1 158933891 TWDVKCLUQGTCKD-MAUKXSAKSA-N 289.488 4.674 30 10 CJEE CCCCCCCCC(=O)CC1(CN)CCCCC1 159715632 AWSGAXPMDBCDDJ-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE CCCCCCCCCCCCn1ccnc(Cl)c1=O 161400437 ICVWQORHOSPPJW-UHFFFAOYSA-N 298.858 4.818 30 10 CJEE C=CCCN[C@@H](c1cccs1)c1ccc(Cl)s1 161711752 VLSFWGRSUXJBMU-ZDUSSCGKSA-N 283.849 4.718 30 10 CJEE N#C[C@H](C(=O)c1sccc1Cl)c1ccc(Cl)cc1 162984787 JSSMSKKAPZHAAY-JTQLQIEISA-N 296.178 4.545 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCCC 227926257 WLDXFVGCVWFBGU-KZNAEPCWSA-N 277.496 4.868 30 10 CJEE CCCCCCC[C@H](NCC)C1[C@@H]2CCCC[C@@H]12 228994004 FIXZEWOPJZTVSD-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C(=O)O 232718557 GQGABRSMXDTEAO-XHSDSOJGSA-N 266.425 4.896 30 10 CJEE CCCCCCCCc1c[nH]c2ccc([N+](=O)[O-])cc12 232937423 NHBXSOYHNBJPIJ-UHFFFAOYSA-N 274.364 4.979 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)NC)c(F)c1 232939169 BVFXTHBIMQBILG-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCC[C@H](NC)c1ccoc1CC 232957614 RSRXQWIPFMNHDB-HNNXBMFYSA-N 251.414 4.853 30 10 CJEE CCC(CC)(CNc1cccc(SC)c1C#N)SC 232979556 ZCEFMIJLHVHBMG-UHFFFAOYSA-N 294.489 4.614 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(C#N)cc2Cl)o1 235278636 GEHJVUXCUHWHQS-MFKMUULPSA-N 286.762 4.540 30 10 CJEE C[C@H](CC(=O)C1=CCCCCCC1)c1ccc(N)cc1 235436241 YRYAXZBZWUGEEZ-CQSZACIVSA-N 271.404 4.612 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2c(s1)CCCCC2 236224772 HQMJSTZYQPLCCN-OAHLLOKOSA-N 292.492 4.658 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@H](C)[C@H]1O[C@@H]1C 251028273 BDZSMQRMDKOWRZ-RZQQEMMASA-N 296.410 4.540 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 251397520 YHGCTOARCBVSCI-IGQOVBAYSA-N 253.455 4.873 30 10 CJEE CC(C)SCCC1(C#N)CCC(C(C)C)CC1 306044795 QTDHGWPTDONQAT-UHFFFAOYSA-N 253.455 4.874 30 10 CJEE CCCCCCCCC[C@@H](O)c1cncc(Cl)c1 308086499 OMWYSVISVDTZJE-OAHLLOKOSA-N 269.816 4.909 30 10 CJEE C=CCSc1ccccc1N[C@H](CCC)C1CC1 310709833 KAQSQYYRQCFTRC-CQSZACIVSA-N 261.434 4.955 30 10 CJEE CCCCCCCCCCC(=O)CC[C@@H]1CCCN1 311749715 UQYQZFBUILJWLF-INIZCTEOSA-N 267.457 4.619 30 10 CJEE CC(C)(C)C#CCC(=O)CC12CC3CC(CC(C3)C1)C2 312226095 HUMGICZGKIRCFT-UHFFFAOYSA-N 272.432 4.602 30 10 CJEE C[C@H]([C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1)C(C)(C)C 312837600 KICGVIFPLSHGEA-XYSPPFBYSA-N 279.468 4.776 30 10 CJEE CCCCCCCCC/C=C1\[C@H]2C[C@@H]3CN[C@@H]1[C@H]3C2 328397184 ABUAOLQHSZMQIR-CWRYALSZSA-N 261.453 4.681 30 10 CJEE CCCCCCCCNc1nc(C)c(C(=O)O)cc1Cl 380169116 YBSARHUOKWOTLW-UHFFFAOYSA-N 298.814 4.514 30 10 CJEE N#C[C@H](Sc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 380624072 BLHKPAAUGDEKCC-OHTBPHCPSA-N 277.820 4.760 30 10 CJEE CC[C@](O)(c1ccsc1)C1(C#N)CCCCCCC1 382165776 VGVYVDDHHYTSHP-INIZCTEOSA-N 277.433 4.600 30 10 CJEE C=CCCCCCCN[C@@H](C)c1cc(F)cc(F)c1 382340128 BFIRTXNKPQEPLZ-ZDUSSCGKSA-N 267.363 4.752 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1sccc1Cl 384006748 PIEDBIWQJWGMCM-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE Cc1cc([C@]2(C#N)CCCC[C@@H]2C)nc2ccccc12 384885415 RZXHWVQRTHJOFQ-KSSFIOAISA-N 264.372 4.515 30 10 CJEE CCCCCCC[C@H]1CCC[C@@H](CNCC(C)C)O1 388416747 LTRAVXDGVBUGCW-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CCSC[C@@H](NCCC)c1ccc(CCC)cc1 388482800 VDSIPYWAALDCHZ-QGZVFWFLSA-N 277.477 4.599 30 10 CJEE CCCCCCC[C@@H](O)CCCCC1CCOCC1 388640376 KAEGQBOUSOLPMN-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE C=CC[C@@H](CC)NC1c2ccccc2-c2ccccc21 393762115 MOITXXVPNDGMSO-CQSZACIVSA-N 263.384 4.701 30 10 CJEE N#CCc1c(C(F)F)ccc2sc(Cl)cc12 396190261 NDIVQYTVPPDCEP-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)[C@@H](C#N)Cn1c2ccccc2c2ccccc21 397554838 JSAXLADAAWESRV-AWEZNQCLSA-N 262.356 4.590 30 10 CJEE CCC[C@](O)([C@H]1CC1(C)C)C1(C#N)CCCCCCC1 397726829 VFZAFWVDAUMVNS-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccc(C)cn1 400625576 MAYKWVDSFVYHJO-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@@H]1[C@H]2CN[C@H]1C2 400660103 ROXBEWRZYVVKBE-YYIAUSFCSA-N 269.448 4.853 30 10 CJEE CCCCCCCCCCC(=O)CC1(COC)CC1 401577520 VPSYSEXAKHEKCJ-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1c(C)cccc1C(C)C 466409859 OVANEZAKZDHXLL-CQSZACIVSA-N 274.408 4.595 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1c(CC)cc(C)cc1CC 484860515 RAWFXOALRVILPB-AWEZNQCLSA-N 273.420 4.661 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H](C)CCC1CC1 505029664 PDWDPYLRRXCKOZ-AWEZNQCLSA-N 286.419 4.505 30 10 CJEE COc1ccc(Cl)cc1C#Cc1ccc(CC(C)C)cc1 587905938 NMPCHFWTSUEGIY-UHFFFAOYSA-N 298.813 4.947 30 10 CJEE C#CCCCCC[C@H](N)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 686696008 SQZXGAIQKLFGRP-HZOPKGLOSA-N 273.464 4.504 30 10 CJEE C#CCCCCCC(=O)c1cccc(C(C)(C)C)c1 686701533 MCJUQYKZTMNDEF-UHFFFAOYSA-N 256.389 4.751 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CCC[C@H](O)C2)C1 688336307 BRECGHWQLKOMPH-GJZGRUSLSA-N 277.452 4.674 30 10 CJEE CC(C)CC[C@@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688340653 CYCFNECVRXRZAL-QGZVFWFLSA-N 279.468 4.920 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCC23CCCC3)CC1 694398949 SIBPVNBRWFAZBJ-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CCCCCC(C)(C)CN[C@@H](C)CC(C)(C)C#N 695790010 FSRXRPMUDYORGJ-AWEZNQCLSA-N 252.446 4.511 30 10 CJEE CCCCCCCCC[C@H](CC(C)(C)CC)NN 696193708 OFWTXSTZCSCCDO-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE CN(CCCCCCCCCS)C[C@H]1C[C@@H]1C1CC1 698363236 GJECOLBHIMLXKE-IAGOWNOFSA-N 283.525 4.625 30 10 CJEE CCCCCCCC[C@@](C)(O)COCc1ccccc1 699356268 FJSUSLJFZKTMGI-GOSISDBHSA-N 278.436 4.705 30 10 CJEE CC1(C)CC(CNCCCCCC#N)CC(C)(C)C1 699459666 SIBYSTOVQVCYQV-UHFFFAOYSA-N 264.457 4.512 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCCN1C 700245351 QIAFIIFJCIWMPV-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cc(C(F)F)ccc21 701881688 OGCWHWUXRQNTTK-UHFFFAOYSA-N 296.386 4.865 30 10 CJEE CCCCCCCCCC(=O)[C@H](OC)C1CCC1 703136109 VCWIRLYEPJOSQF-MRXNPFEDSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc(Cl)cn1 703864412 UTUFHMQBJLEYRG-MRXNPFEDSA-N 283.843 4.779 30 10 CJEE CCCCCCCCCNC[C@@H]1CCCC12CC2 706958662 HZEGASKMQGUBRG-INIZCTEOSA-N 251.458 4.907 30 10 CJEE C[C@@H](CC1CCCC1)Nc1cccc(Cl)c1C#N 712520969 HSSHATRNSZFVCH-NSHDSACASA-N 262.784 4.592 30 10 CJEE CC[C@H](C)[C@@H](C)/N=C1/NC2(CCCCCCC2)CS1 713284307 INYKFTIXCOFFLB-UONOGXRCSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(C)c1 715767158 BKHNQBVXVISNAR-LRDDRELGSA-N 265.828 4.901 30 10 CJEE CCCCCCCC1(CNCCOC)CCC=CCC1 718131322 QMOOKXUYZDZPIU-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE CC(C)C(C)(C)CSCc1ccc(CC#N)cc1 718829758 CNFDWPHJCLZLSW-UHFFFAOYSA-N 261.434 4.668 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2sc(C)cc2C)CC1 719472722 MRENMDIFOJWVBU-SIWZUTFBSA-N 277.433 4.509 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(C)CCC1 720765446 LBGVCHMVIROLCG-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE C[C@@H]1CC[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722135403 FMDQCNJAPNJTAJ-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C=C1CCC(C[C@@]2(CNCCC)CCC[C@H]2C)CC1 724602681 MXQMRIJCZWHXKY-SJLPKXTDSA-N 263.469 4.929 30 10 CJEE CN(CC1(C#N)CCCC1)C1CC(C)(C)CC(C)(C)C1 822054924 CJSUNDYRAQPSKJ-UHFFFAOYSA-N 276.468 4.607 30 10 CJEE C=CCCC[C@@H](NCc1ncc(C2CC2)o1)c1ccccc1 880389235 FQJNNCNAMQUWIE-QGZVFWFLSA-N 296.414 4.739 30 10 CJEE C=C(C)CCNC(CCC(F)(F)F)CCC(F)(F)F 926522743 ZJUBOTIMDXMMAA-UHFFFAOYSA-N 291.279 4.596 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@H]1CCCC1(F)F 935832869 NJTJJSDFUSNSBW-CQSZACIVSA-N 293.357 4.569 30 10 CJEE CCOc1cccc(N=Cc2c(C)n(C)c3ccccc23)c1 1084585986 KBKAARRWKYGLCS-UHFFFAOYSA-N 292.382 4.636 30 10 CJEE CC(/C=C/c1ccc(C)cc1)=NOC(=O)Nc1ccccc1 1084596093 WHROXYKKQSHRNM-YPVAQXRKSA-N 294.354 4.633 30 10 CJEE CC(C)c1nsc(N=Cc2cccc(Cl)c2)c1C#N 1088730374 WASKXTUBWCZSPF-UHFFFAOYSA-N 289.791 4.542 30 10 CJEE C=CCC1(C(=O)Nc2cc(Cl)ccc2C)CCCC1 1124320480 KPIMLPDDXUXFKB-UHFFFAOYSA-N 277.795 4.723 30 10 CJEE C=CCC[C@H](C(=O)N[C@H]1CCCC(C)(C)C1)c1ccccc1 1128175021 YJDLUMCJMDNNKH-ROUUACIJSA-N 299.458 4.821 30 10 CJEE Cc1nsc(N[C@H]2CCC[C@@H](C(C)(C)C)CC2)c1C#N 1163068864 FXDZOVXTAKFKGE-OLZOCXBDSA-N 291.464 4.730 30 10 CJEE C=CCCCCNC(C)(C)c1ccc(C(C)C)cc1 1171925780 LIWZKEHTNQUCCQ-UHFFFAOYSA-N 259.437 4.991 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1ccccc1O 1183363993 RADNAVIIHNKZSG-GJZGRUSLSA-N 261.409 4.568 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 1195945667 AJTHBGHUZCMRNS-LBPRGKRZSA-N 284.230 4.782 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)CCCCC)c1 1220334710 FVDSPCIJXVICLI-AWEZNQCLSA-N 274.408 4.810 30 10 CJEE C=C(C)c1cccc(NC(=O)/C(C)=C\c2ccc(F)cc2)c1 1289566805 FNAYLSZEHMRMCM-KAMYIIQDSA-N 295.357 4.901 30 10 CJEE CCCCCCCCCCN1CCC2(CCOCC2)C1 1307497614 PSIPIXBGYAYCMJ-UHFFFAOYSA-N 281.484 4.630 30 10 CJEE C=CCCCCC[C@H](C)NCCC1Cc2ccccc2C1 1308689769 ZYVOOUOEIUSOOX-KRWDZBQOSA-N 285.475 4.906 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)c1ccccc1 1351277785 PFBHNWWUPQQYHK-NZSAHSFTSA-N 299.458 4.821 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1C[C@@H]1C1CCCC1 1462662670 FRFBKOFGUMNDDF-RYQLBKOJSA-N 263.469 4.927 30 10 CJEE Cc1cc(CNC[C@@H](C)CCC#N)ccc1-c1ccccc1 1474462812 HNUGGSLLISXTNS-INIZCTEOSA-N 292.426 4.692 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 1474697589 ZLJXCRAJRMZWSW-OALUTQOASA-N 285.475 4.980 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)cc1SC 1476854248 KIURLUMVQYFGRH-NSHDSACASA-N 298.839 4.538 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CC)Cc2occc2C)c1 1477188403 LFCNJRHNIDAKOG-UHFFFAOYSA-N 298.386 4.675 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCCC(C)(C)C2)CCCCC1 1525549653 MZOAKXXCLQJARW-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C)c1ccccc1 1530647464 BETWSSAKWNYUHS-LNLFQRSKSA-N 299.458 4.774 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC)CCCC 1535722263 QUCBFHZTKOZYBF-QZTJIDSGSA-N 287.447 4.506 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1CCc2cccc3cccc1c23 1538336164 UBHXCRADJNTIAW-QGZVFWFLSA-N 293.410 4.546 30 10 CJEE C=CCC1(C(=O)O[C@H](c2ccccc2)C(F)F)CCCC1 1544703472 POYJTHCSVKWYNM-CQSZACIVSA-N 294.341 4.673 30 10 CJEE CCCCCCCCCN(C)CC1(Br)CC1 1615239777 KNYHNJPGKPLAMW-UHFFFAOYSA-N 290.289 4.596 30 10 CJEE C#CCCCCCCN1c2ccccc2CC[C@@H]1CC 1616208593 QMKMQNKSSOZENP-SFHVURJKSA-N 269.432 4.802 30 10 CJEE C=CCC[C@H](CC)NC[C@H]1[C@H](c2ccccc2)C1(C)C 1621383972 CPTFKJNUHQPDTG-BZSNNMDCSA-N 271.448 4.761 30 10 CJEE C=CC1(CC(=O)Nc2c(O)cccc2Cl)CCCCC1 1628564415 VRVCMDQUGYWVMO-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C=C[C@@H](C(=O)N1CCC(CCC(C)C)CC1)c1ccccc1 1631384000 YEHNYJZHPULEHW-LJQANCHMSA-N 299.458 4.631 30 10 CJEE C=C(CC)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1645044300 IFABAVZEXPCDIL-APHBMKBZSA-N 263.812 4.593 30 10 CJEE C=C(C)c1cccc(Nc2nc3cc(C)ccc3o2)c1 1652304518 FUMWEQVJHDPDQS-UHFFFAOYSA-N 264.328 4.913 30 10 CJEE C=C(CC)CNC1(c2cccc(C(F)(F)F)c2)CCC1 1653071336 HFUPWXIXCHUMHS-UHFFFAOYSA-N 283.337 4.640 30 10 CJEE C=CCCCCCN(Cc1ccccc1F)CC1CC1 1654275315 CBSYNTCVTOWUME-UHFFFAOYSA-N 275.411 4.784 30 10 CJEE C=C(C)CN(CCc1ccc(C)cc1)Cc1ccccc1 1654354023 WLFYAOYJTFRQNF-UHFFFAOYSA-N 279.427 4.616 30 10 CJEE C=CCCCCCN1CCc2ccccc2[C@H]1C(C)C 1657547659 HXACZNDORRJPFH-LJQANCHMSA-N 271.448 4.988 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc(CC)c1 1658473852 UMTPLIABOBSKJJ-INIZCTEOSA-N 259.437 4.864 30 10 CJEE C=CCCCCC[C@H](C)NC[C@]1(C)CCOC2(CCC2)C1 1658934199 LCFHWRWRQABHHA-ZWKOTPCHSA-N 293.495 4.840 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(F)cc2C)C1 1665619345 VQOFTYNDXAPGGF-SQWLQELKSA-N 261.384 4.530 30 10 CJEE CCCCC[C@](O)(CC)C1(C#N)CCC(C)(C)CC1 1879221348 KIOKVLSVQHQGFY-QGZVFWFLSA-N 265.441 4.818 30 10 CJEE CCCCCCCCCC(=O)C[C@]12CCOC[C@H]1C2 1880535355 CBDZYKRHGOGHMZ-NVXWUHKLSA-N 266.425 4.513 30 10 CJEE CCC(C=O)(CC)CC1CC2(C1)C(F)(F)C21CCC1 1882113103 OSZGZWFOOYRNAL-UHFFFAOYSA-N 270.363 4.597 30 10 CJEE C=C(C)CN(CC[C@]12CCC[C@@H]1C2)Cc1ccccc1 1882373440 CFKDTJNMKHTESO-MOPGFXCFSA-N 269.432 4.645 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CCC2(CC2)C1 1882665291 HTYRPIDYZKFWDO-GOSISDBHSA-N 269.432 4.645 30 10 CJEE CC#CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 1885235266 DSESNFRQQWPMJD-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE CCCCCCCCN(C)c1ccc(C=O)cc1C 1887061341 RPHGBLQORKJMMC-UHFFFAOYSA-N 261.409 4.604 30 10 CJEE C=CC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1901186715 YOLDJYFXHBLLRH-UHFFFAOYSA-N 289.375 4.526 30 10 CJEE CCCCC#CCN(Cc1ccccc1)CC1CCCC1 1902964278 JPWWEIMGWUBAMU-UHFFFAOYSA-N 283.459 4.872 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)cs1 1903142955 HCVPJIMXOWEWHB-STQMWFEESA-N 257.830 4.654 30 10 CJEE Cc1ccc(C(=O)C=Cc2sccc2C)cc1C 1912212604 QIXHANDZWVHSES-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE CC[C@](C)(C#N)[C@H](O)c1ccc(-c2ccccc2F)s1 1921071336 HHXICVCSAQMKHK-HZPDHXFCSA-N 289.375 4.527 30 10 CJEE CCCCCCCCCC[C@]1(F)CN[C@@H]2CCC[C@@H]21 1926553423 ANKHYVAOWCXONS-BBWFWOEESA-N 269.448 4.997 30 10 CJEE CCCCCCC[C@@](N)(CC)CCC(F)(F)F 1940754934 CWOOJHGVHAYYLH-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE C=C(CC)C[C@H](O)c1cc(Br)c(Cl)s1 1956840632 XYJUIKWWJIUYMG-QMMMGPOBSA-N 295.629 4.554 30 10 CJEE C=CCCCOCc1cccc(Br)c1Cl 1957688903 OARJOJDRQBLNMD-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE C[C@@H](CCC(F)(F)F)Nc1ccc(C(C)(C)C#N)cc1 1970319760 YTXQQRLJTKIUAD-NSHDSACASA-N 284.325 4.631 30 10 CJEE Cc1cccc(C#N)c1SCC1CC(C(F)(F)F)C1 1971988249 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C=CCCCCCCOc1cccc2c1CCC[C@@H]2O 2206986278 NBZYHAXOJIDHGF-KRWDZBQOSA-N 274.404 4.572 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CC[C@H](OC)CC1 2207376572 JWBYKPCEMYITBH-IYARVYRRSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](O)C(C)(C)CC 2207401678 DGZRVBXTJJKWBD-SJORKVTESA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@@H](CC1(OC)CCC1)NC 2207402857 FNISXNYPFWWCNJ-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCOCCNC1CCCCC1 2207403898 KUUDHRWEHRNMAC-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1C[C@@H](OC)C1(C)C 2207429760 MVKBPBSFWAAMDK-YESZJQIVSA-N 281.484 4.682 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H]1OCC[C@@H]1C)NC 2207430304 SQRDTHLRPRQJFV-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC1(CC)CCC1)NC 2207456024 IBPCBPOGNCVULO-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCSc1cccc(SCCC2CC2)c1C#N 2214546139 BMGJDYLQSDHDRG-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE C=C(C)C[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2218642985 NGBYJMUSAWCFNK-CQSZACIVSA-N 286.246 4.870 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@H]2CC[C@H](C2)C1 2220080300 RUVPZPOYGPEWCW-BJWYYQGGSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2ccc(F)c(Cl)c21 2220219286 YKDCWDMDWKJRHI-MRVPVSSYSA-N 284.787 4.645 30 10 CJEE CCCCCCCCCCOCC1(CC#N)CC1 2223216784 XRRNHWBHNPWYCQ-UHFFFAOYSA-N 251.414 4.838 30 10 CJEE CCCCCCC[C@@H](CCc1cccc(F)c1)NC 2224591980 TUEDVVWGTAJOCM-KRWDZBQOSA-N 265.416 4.707 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CC[C@H]1N 2225442168 KBYCXBJAGDSIEG-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C=CCCCCCCCN[C@@H](C)C(F)(F)C(F)(F)F 2227267050 BQDIGSJKCRUWRC-NSHDSACASA-N 287.316 4.689 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]12C[C@H](C)[C@H]1C2 2227269064 VWQSOBRWUIJZBM-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](N)CC1(OC)CCCC1 2227269707 BMVVHFAZXUAGFR-MRXNPFEDSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCNCC[C@@H]1CCCC1(F)F 2227270128 DMFSDNCQRNCWFG-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCCN[C@@H](C)c1cccnc1C 2227276789 UFSLRUDDBAXPPA-HNNXBMFYSA-N 260.425 4.567 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccccc1OC 2227276990 VWGJWYVQQNMNTN-MRXNPFEDSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(CCC)CCC1 2227280422 BNOCUTWXAJZEOE-MRXNPFEDSA-N 266.473 4.705 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H]1C 2227867671 LTXDKDVGUDOZJG-ZACQAIPSSA-N 266.473 4.561 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228469597 WYYIMYGVMSBWIK-YVSFHVDLSA-N 284.509 4.877 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1sc(C)c(C)c1C 2228580203 QKQDCVMKOXANLK-OAHLLOKOSA-N 277.477 4.764 30 10 CJEE C=C1CC([C@H](C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)NC)C1 2230707464 ZLQWRVPBKAJGHG-HPFXQQBRSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@H](CC)CN1 2231016095 SLFUIAPQUGJDTH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCOCC(=O)C1CCCC1 2231043170 WKMBILCESNJMKO-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)CCCCCO 2231946989 UUWFRXOWTNCLIT-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCCCCCN(C)c1ccc(C(C)=O)cc1C 2232011546 HGIWMPRHBDCNAN-UHFFFAOYSA-N 261.409 4.604 30 10 CJEE CN(c1ccc(Cl)cc1C#N)C1CCC(C2CC2)CC1 2234296159 GNNINYIGTQPMHC-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@]1(CC)CCCO1 2235522531 VKOVKEMGGYGNEG-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C2C[C@H]3CSC[C@H](C2)C3)CC1 2236716611 AZRBQWMZDLBWER-KKUMJFAQSA-N 292.488 4.717 30 10 CJEE CCCCCCCC(=O)[C@@H]1CC[C@@H](C(C)(C)C)CC1=O 2238151038 OTSMFFLOVPUQHQ-CABCVRRESA-N 280.452 4.948 30 10 CJEE C=CCCCCCN(C)CC1(C)CC2(CC(F)(F)C2)C1 2239165311 CDPHKZYCBRIAFB-UHFFFAOYSA-N 285.422 4.880 30 10 CJEE N#Cc1cc(SCCCCCCCC2CC2)ccc1N 2239359769 PJIIJOLOEOPQNS-UHFFFAOYSA-N 288.460 4.983 30 10 CJEE CN[C@@](C#N)(CSCCCCCCC1CC1)C(C)(C)C 2239360438 VJPZSONBJJFLTC-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE CCCCCCCCCO[C@@H](C)CC(C)(C)C(=N)NO 2239484421 WLQDWHAMFUSRAI-AWEZNQCLSA-N 286.460 4.514 30 10 CJEE C=C[C@@H](CCCCC)OCCCCCCNC1CCC1 2239497007 CYQWMSATZAICIM-SFHVURJKSA-N 281.484 4.840 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NC 2239509164 BQJLJFBFIVALQG-XWTMOSNGSA-N 281.484 4.551 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CCCC(C)(F)F 2240639984 LOIAGCBAMNKPNN-CABCVRRESA-N 293.442 4.641 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)CN1CCCCC1 2240648807 MGWOQAPCHWOPEU-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=C(CC)C[C@@H](N)c1cc(Cl)c(Cl)cc1C 2244386279 HWPNWKNQAMYPGE-CYBMUJFWSA-N 258.192 4.658 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(Cl)c1OC 2256117926 RZNURGXXGDPKGM-AWEZNQCLSA-N 268.784 4.519 30 10 CJEE C=CCCSc1ccc([C@@H](CC)NCCC)cc1 2258974959 CFDBCJAJKMWYJH-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCCC(=O)c1cc(Cl)cc(C)c1N 2259232979 ICWXWANQJSCVOQ-UHFFFAOYSA-N 265.784 4.550 30 10 CJEE SCCCCCCCN1CCCCCCCCC1 2263202297 HBLTWVJZMYFXRB-UHFFFAOYSA-N 271.514 4.913 30 10 CJEE CC[C@H](C)c1ccc(OCC2(CS)CC(F)C2)cc1 2265643609 SBXJMHTWUZPOCG-YGONEPDPSA-N 282.424 4.627 30 10 CJEE CC(C)c1cccc(Nc2c(F)cccc2C#N)c1 2265767013 BRLMQJXYWHDUMA-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE C=CCCCCCCN1CCC[C@@]12C[C@H]1CC[C@H]2C1 2266317625 JFAQRGANKINKCK-BZSNNMDCSA-N 261.453 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC[C@H]1CCCC12CC2 2266695653 AIZSGWGOTHOURB-BRWVUGGUSA-N 261.453 4.681 30 10 CJEE C=C(C)CCCC[C@](N)(CC)c1ccc(CC)cc1 2271782963 JTCPKEPTCXTDIV-GOSISDBHSA-N 259.437 4.950 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@](C)(F)C(F)(F)F 2271786053 SKNCNXYJVRIAEW-STQMWFEESA-N 283.353 4.782 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 2271798485 PVFUORGQXRAVJG-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=C1CC([C@H](C[C@@]23CCCC[C@H]2CC3)NCCC)C1 2273402547 CGOYWOCBEQZYGG-BZSNNMDCSA-N 261.453 4.681 30 10 CJEE C=CCCCCCCC(=O)c1cnc(C(C)(F)F)s1 2273583809 WYPUJSKBFARQHV-UHFFFAOYSA-N 287.375 4.964 30 10 CJEE CCC[C@H](CC(C)C)[C@H](C#CC1CCCCC1)NC 2273969452 PKGKFBDUPHPSRJ-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(C)c(Cl)s1 2274119874 GFMLXVLABRZSRK-CQSZACIVSA-N 295.879 4.944 30 10 CJEE CC(C)(C)NCC1(CC#CC2CCCC2)CCCC1 2274164302 JCZKFHMNLNJDLZ-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CC(C)(CCC#N)CN[C@H]1CC(C)(C)CCC1(C)C 2274553009 YFNIIRZLQODJSS-AWEZNQCLSA-N 264.457 4.511 30 10 CJEE C=CCCCCCCCSC[C@@H]1C[C@@H]2CCC[C@@H]2N1 2274680385 LHLRMFCVDMKORP-ULQDDVLXSA-N 281.509 4.777 30 10 CJEE CCCCCCCCC[C@]1(C)CC[C@@](C)(CNC)O1 2278171742 QJGIJYQRJFWKJF-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CCO)C(C)C 2278239681 XSVHMFFOJGUPLL-SJORKVTESA-N 271.489 4.512 30 10 CJEE C=C([C@@H](NCCC)C1(C)CC(C(F)(F)F)C1)C(C)(C)C 2279188987 KYGGLCDFYJILML-JVWICGRDSA-N 291.401 4.936 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@H]1C[C@H]1C1CCCCC1 2284096008 PRCZONMHIYYWHO-KSZLIROESA-N 273.464 4.526 30 10 CJEE CC(C)(C)c1cccc(Nc2c(F)cccc2C#N)c1 2285672887 PMVSPBRWKFTJJR-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@](O)(CC)CCC(C)C 2287388682 VTXBFOGZNWIHBP-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)CC(C)(C)CC 2287389883 JVMWHJKNULTCHX-SJORKVTESA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](CC1CC(OC(C)(C)C)C1)NC 2287416137 XLJFBRSKTSFECR-CGZBRXJRSA-N 281.484 4.695 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC(C)C)CCOC1(C)C 2287468598 WRORNSPVKOLBAD-SFHVURJKSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCC[C@@](N)(CC)[C@@H](C)CN(C)C 2288835020 SYRPXTMEYARINL-ROUUACIJSA-N 284.532 4.822 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@@]12CCC[C@H]1CC2 2289056600 TVGZJYXUUZAXAH-SZMVWBNQSA-N 280.452 4.637 30 10 CJEE N[C@H](C#CC1CCCCC1)c1ccc(C2CCC2)cc1 2289699979 HSBPXWPDDRVKKJ-LJQANCHMSA-N 267.416 4.538 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@H](C)C1 2289703402 HOGJBAUPKBZYOX-QXAKKESOSA-N 275.480 4.765 30 10 CJEE CN[C@H](C#CC1CCCCC1)C1(C)CCCCCCC1 2289708093 ABGIDSOZCVTCTO-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1csc2ccccc12 2289783571 FSQHMEUAULNIRN-KRWDZBQOSA-N 283.440 4.746 30 10 CJEE CCN[C@@H](C)c1cccc(SCC#CC2CCCC2)c1 2289852048 LXBIUUHSELLOBZ-HNNXBMFYSA-N 287.472 4.643 30 10 CJEE O[C@@]1(CC#CC2CCCC2)CCCC2(CCCCC2)C1 2289903410 BOBFGYRCXUDOSX-IBGZPJMESA-N 274.448 4.826 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)C=CCCC1 2290625776 MGWOPUDGGMIGBS-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@@H](CC1CCCCC1)OCC(=O)O 2291966575 IANAPTJYCMDCMZ-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@]1(C)CC1(C)C 2292646457 VGUPIXUBDQDSOH-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2293049787 LFUVWIFXLINXAB-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](CC1(C(C)C)CCC1)OCCN 2293963864 IJHSVSGOQNBABB-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCCN)C1(F)CC1 2294020863 KDGWSJIRCGQMCP-MRXNPFEDSA-N 285.447 4.529 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@H]1C1CC1)OCCN 2294113094 FPGMVFMXNXXWOB-FGTMMUONSA-N 281.484 4.517 30 10 CJEE C=C(CC)C[C@]1(OCCN)CCCC2(CCCCC2)C1 2294167346 RUCCWMDTKJMSDN-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CC1(C)CCC(C)(C(=O)C#Cc2ccccc2Cl)CC1 2295208844 JLEJCOFZFHFBTR-UHFFFAOYSA-N 288.818 4.867 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC([C@@H](C)N)CC1 2295519933 LUHPEFVODATWTA-DLBZAZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC([C@H](C)N)CC1 2295536246 LUHPEFVODATWTA-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCOc1ccc(C(=O)C=CNc2ccc(C)cc2C)cc1 2296875879 JPCHINUHGPMRQT-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1ccc(Cl)cc1Cl 2298825082 WIGLUAUBUJFZNI-TVQRCGJNSA-N 290.259 4.691 30 10 CJEE C=CC[C@@H](C)Sc1csc(CN[C@H](C)CC)c1 2298931138 WEHLMSFXRWUMRN-VXGBXAGGSA-N 269.479 4.693 30 10 CJEE CC[C@](C)(COCCCCCCCS)C(F)F 2299752571 QMZNBAKJFIIFPS-CYBMUJFWSA-N 268.413 4.565 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(Cl)c1 2304055310 JQAZOTQTMIWHDI-CQSZACIVSA-N 251.801 4.593 30 10 CJEE C[C@@H]1CCCC[C@H]1OC[C@@](C)(CS)C(C)(C)C 2307105569 FTDYCZWURHTYNM-NFAWXSAZSA-N 258.471 4.564 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC(C)(C)C2)CC1 2319034092 IVGYVFMSIQKQPJ-ISXOHVOVSA-N 250.426 4.988 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2320252469 HXFQLPOUDJLMTR-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)CC1 2320314868 LUTAMKZAILITKW-KRIMKBQASA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)[C@H](CC1CCC(CCC)CC1)NC 2321115351 DZBRARXPUBLWDX-OTBWCIGPSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1cccc(Cl)c1C(F)(F)F 2321145919 UISCWUYVUVWKKY-PRHODGIISA-N 277.717 4.571 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C(=O)O)C(C)(C)C 2327019353 VMTGSVHMIINKEH-OAHLLOKOSA-N 270.438 4.520 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@@H](CS)CC(C)C 2328520768 JICCYVNCARXWQS-ZDUSSCGKSA-N 286.868 4.928 30 10 CJEE C[C@@H](CCS)CCOCc1cc(F)ccc1C(F)F 2338245955 LFBUYYONBVAZPF-SNVBAGLBSA-N 292.366 4.626 30 10 CJEE CCC[C@H](CS)COCc1cc(F)ccc1C(F)F 2338247185 WOQWDPHYNOHXDC-JTQLQIEISA-N 292.366 4.626 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338687990 FAMDNYDYPVGIIK-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@@H](CCC)CC1 2338792522 KBSYJWXSQANAOI-QZTJIDSGSA-N 263.469 4.909 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338925657 VNRMCSLDLZSDAF-JKQORVJESA-N 260.421 4.908 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1ccc(F)cc1C1CC1 2339207688 RMQCIVLVKAGTDF-PXAZEXFGSA-N 261.384 4.566 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1ccc(F)c(Cl)c1 2339964374 NBIOQDOGADYOIP-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341114082 JECZPQJJOAPUAG-INIZCTEOSA-N 298.257 4.708 30 10 CJEE O=CC1(Cc2ccccc2C2CC2)CCCCCC1 2341695979 JIYHOMGXIVXSPT-UHFFFAOYSA-N 256.389 4.646 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ncc(CC)s1 2344337791 UOIVIXPVPSNXJR-GOEBONIOSA-N 280.481 4.739 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)[C@@H]1CCCC(C)(C)C1 2345006248 KGPIBIFYUSROCO-CQSZACIVSA-N 283.525 4.623 30 10 CJEE CC(C)(C)C[C@@H]1CCN(C[C@](C)(CS)C(C)(C)C)C1 2352072156 LHRVXQGEYUIPPG-WMLDXEAASA-N 285.541 4.727 30 10 CJEE CC[C@@H](CN(C)C[C@](C)(CS)C(C)(C)C)C(C)(F)F 2352094229 CTYGEKVRVCGFNA-GXTWGEPZSA-N 295.483 4.582 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@H]1CCC 2352214729 MPXVUCAJCSJPFB-CZUORRHYSA-N 282.449 4.664 30 10 CJEE C=C[C@@H](C)C[C@H](O)CC1CCC(CC(F)(F)F)CC1 2353169496 LGQQGNLMTKYJHC-RYSNWHEDSA-N 278.358 4.708 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CCCC2=O)c1Cl 2353186876 SRDLMTATVHYIJH-ZUZCIYMTSA-N 296.197 4.668 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)OCCC(=O)O 2359972325 YDOKSKFDVWUULU-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE CCc1ccc(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)s1 43640100 HFMMKBXRQUNHHG-MRXNPFEDSA-N 297.423 4.924 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccccc2C)cc1 57686762 HPYCGMWCDLRWOB-QGZVFWFLSA-N 279.383 4.770 30 10 CJEE COc1ccc(C(C)C)cc1C[C@@H](C#N)c1ccccc1C 57761220 CTVXRIQDERTTTC-SFHVURJKSA-N 293.410 4.977 30 10 CJEE C=CCCC[C@H](NCCC)C1(c2ccccc2)CCC1 71277374 CMWUNFHJLNNCQL-SFHVURJKSA-N 271.448 4.833 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(F)c(Cl)c1 71277512 CWBWKYIFAFBSQC-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CC(C)Oc1cccc(-c2cc(C#N)c(C(F)(F)F)o2)c1 77086215 KEJTYBYMXXVHRZ-UHFFFAOYSA-N 295.260 4.624 30 10 CJEE Cc1sc(-c2cccc(OCC(C)C)c2)cc1C#N 77094567 UWTQCEWOOCVRKV-UHFFFAOYSA-N 271.385 4.630 30 10 CJEE C[C@@H]1CC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 87994064 KQQCCAOBGBHLIW-RISCZKNCSA-N 268.385 4.585 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2c(F)cccc2Cl)C1 87996660 ZNATVOUBSANRGL-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]2C(C)C)C1 88836927 ZXNAFLGVMWHZIK-BRSBDYLESA-N 290.495 4.851 30 10 CJEE N#Cc1csc(CNc2ccccc2SC(F)F)c1 93684962 GGRNRBMSGBHCCV-UHFFFAOYSA-N 296.367 4.547 30 10 CJEE C[C@H]1CC(OC[C@@H](CS)c2ccccc2)C[C@H](C)C1 94585911 SHIHRPZKVAAJCE-FMKPAKJESA-N 278.461 4.541 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)ccc2C)C1 97856949 DRGZGFIOTHLHDT-WMLDXEAASA-N 259.368 4.787 30 10 CJEE CCCCCCCNCc1ccccc1C(F)(F)F 102565744 FRFSLFMGZXKEOD-UHFFFAOYSA-N 273.342 4.765 30 10 CJEE CCCCCCCn1c([C@@H](C)N)nc2cc(CC)ccc21 105502300 DGZFSTASDGEQAM-CQSZACIVSA-N 287.451 4.589 30 10 CJEE CCCCCCCCN[C@@H](C)c1sc(C)nc1C 108254366 KFRIVDQUMLNCIQ-LBPRGKRZSA-N 268.470 4.771 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C)[C@@H]2C)C1 110265371 USXFILWMLZHTLL-QXDIGNSFSA-N 290.495 4.851 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(CCOC)cc1 115859733 CNSBDNVJBXDNRG-GOSISDBHSA-N 278.436 4.660 30 10 CJEE CCCCCCCCCCNc1cc(C)cc2ncnn12 129399300 CFSUGFLRPFZGPS-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE C=C(CNc1cccc(Cl)c1F)c1ccccc1 134357928 IVQAQOWNDVXUES-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCSc1cccc(Oc2ccc(C)cc2OC)c1C#N 136706582 UMFZVYQGDQKEPO-UHFFFAOYSA-N 299.395 4.780 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(C)nc1C 140314727 SORWYSNIYBXSRD-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(C)CCCS1 140390274 ODPVHDFQGUBDEG-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](OCC)c1ccccc1 158536674 LZGLHNFKFUAHLY-QZTJIDSGSA-N 277.452 4.842 30 10 CJEE C[C@H]1CCC[C@@H](CCNCc2ccc(C#N)cc2Cl)C1 162725566 ICLPBWMLWWFZOB-KBPBESRZSA-N 290.838 4.518 30 10 CJEE CC(C)(C)c1ccccc1OCc1cc(F)cc(C#N)c1 163568064 KYLIGLSCWSDCNO-UHFFFAOYSA-N 283.346 4.574 30 10 CJEE C=C(C)CC[C@@H](NCC)C1(OCC)CCC(C)(C)CC1 164774103 HFGXAIHNKIORBH-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccnn1CCC 165493889 AGVXAHNZTJSOEP-INIZCTEOSA-N 279.472 4.694 30 10 CJEE CC#CCC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 168074491 OINPVBVUNDQYBH-GOSISDBHSA-N 285.475 4.535 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 212945372 BDOCWAZCPSKYPJ-DAYGRLMNSA-N 284.447 4.527 30 10 CJEE CCSc1cccc(Oc2ccc(C)c(F)c2)c1C#N 226418068 LHORTMHRORAGPY-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]1(OC)CCC[C@@H](C)C1 229910975 PGUUCACFXWRLQE-FGTMMUONSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)O)c(C)c1 232366711 WIXFZAYSVILRLM-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CCCCCCC[C@@H](C)N(CCC)C[C@@H]1CCCCN1 232925359 MOEDPTGTSVCWFF-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@@H](C)CC[C@@H]1C 232977325 AVBUCXDFGUIYJP-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](OC)C1CCCCC1 233603621 JVHXVSNUYCDUEP-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE N#Cc1ccc(Nc2ccc(F)cc2)c2ccccc12 236219385 JLEFBXAOXRSUEU-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCCCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250797771 BNDQIDWBXHOMDL-QZWWFDLISA-N 279.468 4.678 30 10 CJEE C(=Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1 254308631 FSSXUDVDZJPZPJ-UHFFFAOYSA-N 299.333 4.640 30 10 CJEE N#CC[C@H](c1ccc(Cl)cc1Br)C1CC1 260467626 WDVDECVCFBVXEB-JTQLQIEISA-N 284.584 4.510 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc(C)co2)C1 300269818 BIILZDQGCOWHTP-BFHYXJOUSA-N 292.448 4.820 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)CSC 305930711 JKULCCILAUQDGU-GJZGRUSLSA-N 259.503 4.714 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2ccc(Cl)cc2Cl)O1 310385302 JYAPORRNMJMGCO-CHWSQXEVSA-N 270.159 4.517 30 10 CJEE C=CCCCCn1c(S)nc2ccc(Cl)c(C)c21 310998465 JESWEUNBMKSEPS-UHFFFAOYSA-N 280.824 4.643 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCCCC2CCOCC2)C1 311333165 IVLJQGFUJNGSAG-NVXWUHKLSA-N 263.425 4.693 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc2c(n1)CCC2 312538781 KUBJSWANRXWMST-KRWDZBQOSA-N 274.452 4.581 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CCCC[C@H]1N 312956830 ITTCDXDDYNNYBT-FUHWJXTLSA-N 281.484 4.994 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC(CC)(CC)C1 313635838 ZRDWKNSULPKVOE-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CCCC(F)(F)C1 316958277 IQNDMMXZOMHQSR-MCIONIFRSA-N 258.352 4.597 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCC[C@@H](C)C2)CC1 317238644 NLUBDHAQEPMJDY-GYXIZQIFSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317383836 XLRLKURMIGMIRV-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CC[C@](O)(c1ccsc1)C1(C#N)CCC(C(C)C)CC1 382058103 AECCFZHOCDYYSJ-PREGVCBESA-N 291.460 4.702 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cn(CC)cn1 383307032 FCQZNBMQKOIAFU-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cccc2ccsc12 386626219 KOXFPYQNBAZZBC-MRXNPFEDSA-N 285.456 4.992 30 10 CJEE CC[C@](C#N)(Nc1ccccc1Cl)C1CCCC1 387598965 VKVOHUGXLGNJKT-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCC[C@H](C(C)C)CC1 398129854 VBCDZCWPWQCHDG-ULQDDVLXSA-N 251.458 4.926 30 10 CJEE CC(C)[C@H]1C[C@H](NCC2CCC(C#N)CC2)c2ccccc21 442865472 FYHRCEJFGRKPBM-MPIRFRCKSA-N 296.458 4.791 30 10 CJEE C#CCCCCC[C@H](N)c1ccccc1C(C)(C)C 686695547 ZWSZFSKILNUYIA-KRWDZBQOSA-N 257.421 4.568 30 10 CJEE C#CCCCCC[C@@H](NCC)C(C)(C)c1ccccc1 686695572 MVELIYRNROSTQR-GOSISDBHSA-N 271.448 4.526 30 10 CJEE C#CCCCCC[C@H](N)c1cc2c(s1)CCCCC2 686699190 WGJSTYUOPXSBBL-HNNXBMFYSA-N 275.461 4.601 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC12CCOCC2 690046950 WOZRVZSLKPRSMM-INIZCTEOSA-N 280.452 4.903 30 10 CJEE C=C(CNc1cccc(F)c1Cl)c1ccccc1 690307279 XLNPPDNCKWNORH-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)C1CCC(F)(F)CC1 690830336 MWVGCOVMVYIXRM-JTQLQIEISA-N 298.764 4.838 30 10 CJEE CCCCCCCCC[C@]1(CNC)CCOC1(C)C 693170757 JUTXUYPDUOJPDF-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE Cc1ccc(CNc2ccc(Cl)cc2C#N)cc1Cl 695705258 RLICPPJMUMZZKH-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)[C@H](C)CC(C)(C)C#N 695844694 XNJBTJCYDWQJHW-OLZOCXBDSA-N 278.827 4.661 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CC3CCC2CC3)C1 709458970 ICADZTRTQVQTTQ-QEFFHFBBSA-N 262.437 4.988 30 10 CJEE C=CCC(C)(C)COC[C@@H](NCC)c1ccccc1Cl 709579987 IPFJKZRLQNJIEB-MRXNPFEDSA-N 295.854 4.610 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(C)cc(Cl)c1 710640233 YGWHWOPDJWBQNO-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE CCCCCCCCC[C@@H]1C(=O)CCN1C1CCCC1 712101577 PEUIOVLFNRKNPQ-QGZVFWFLSA-N 279.468 4.713 30 10 CJEE C=CC[C@H](C)Oc1ccc([C@H](C)NCCC)cc1Cl 714999889 FFXZJLSCEDUTFQ-STQMWFEESA-N 281.827 4.744 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1c(F)cccc1Cl)NCCC 715721434 SKUZWTLEQHATBJ-WBMJQRKESA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H](OCC)C1CCCCC1 715752507 JGMVFBSONNYHJM-CGTJXYLNSA-N 281.484 4.552 30 10 CJEE C=CC[C@H](C)[C@@H](CSC1CCCCC1)NCCC 715795837 CYWNIJSALBDACK-GOEBONIOSA-N 269.498 4.633 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccccc1C(C)(C)C 715799415 ZXRUZMQKLFTZQW-YOEHRIQHSA-N 259.437 4.847 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC3(CCC3)CO2)C1 716347474 WAAHHVFXHCLRJN-SOLBZPMBSA-N 275.436 4.836 30 10 CJEE CC1(C)CCCCC[C@H]1/N=C1/NC2(CCCC2)CCS1 718966930 SWOVHHXCILHVRT-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C=C1CCC(C[C@H](N)Cc2c(Cl)cccc2Cl)CC1 724549933 SNZPYHHXCQFNHN-ZDUSSCGKSA-N 298.257 5.000 30 10 CJEE C=C1CCC(CC(=O)c2ncc(Cl)cc2Cl)CC1 724580406 VZFJIWZERDKASA-UHFFFAOYSA-N 284.186 4.708 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccccc2CC)CC1 724602691 NFLBNJANDGNDOU-SFHVURJKSA-N 257.421 4.646 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccccc2SC)CC1 724617215 OIAIKNQWBIBHKR-MRXNPFEDSA-N 275.461 4.806 30 10 CJEE CC[C@@H]1CCC[C@H](/N=C2/N[C@H](C3CCCC3)CCS2)C1 725081491 XBAYHTRYUYPHAC-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE CCCCO/N=C(\CC)c1ccc(SCC)cc1 821226946 KQSJPYQVOFRQCK-FOCLMDBBSA-N 265.422 4.729 30 10 CJEE C=CCC[C@@H](NCc1nc(C(C)(C)C)co1)c1ccccc1 921915885 CIGOYPPRKXYFKL-MRXNPFEDSA-N 298.430 4.769 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](CCC)CCCC)c1ccccc1 1126742929 HDZAZMKOILXFPU-ROUUACIJSA-N 287.447 4.821 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1134728857 UADZHBSNTRSFLN-BRSBDYLESA-N 289.463 4.550 30 10 CJEE C=CC[C@@H](C(=O)N1CCC(CC(C)C)CC1)c1ccccc1 1149362700 BNJWMYVHZSSZOQ-LJQANCHMSA-N 299.458 4.631 30 10 CJEE C#CCN(CCC1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1 1170093469 AAXSMHXSUPABPA-QZTJIDSGSA-N 283.459 4.584 30 10 CJEE C=C1CCC(CNCc2c(CC)oc3ccccc23)CC1 1179541149 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270.420 4.904 30 10 CJEE C=CCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2243096198 KAHHSVUFVARLLV-CQSZACIVSA-N 282.225 4.539 30 10 CJEE CCCCCCCCCNCCCSC(F)F 2246401911 QCRULLDIHPZRIO-UHFFFAOYSA-N 267.429 4.673 30 10 CJEE C=CCCCCCCCSC[C@@H](N)[C@@H](C)CC 2250061970 NWEKJXPQZUIHEL-LSDHHAIUSA-N 257.487 4.620 30 10 CJEE C=C(C)CCCCN[C@H](CCC)c1cccs1 2250187995 KSRGQBLVPXYENG-CQSZACIVSA-N 251.439 4.925 30 10 CJEE C[C@@H]1CC[C@@H](CS[C@H](CC#N)c2ccccc2)C1 2256634599 YUDJKENVUYKUEK-IIAWOOMASA-N 259.418 4.811 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC[C@@H]2C(F)F)C1 2257839364 GBDQXBVSVUNGFZ-UKTARXLSSA-N 255.352 4.778 30 10 CJEE CO[C@@H](CSCC1(CS)CC(C)C1)CC(C)(C)C 2259057590 CVDBKKSWYDVZTK-JVWICGRDSA-N 290.538 4.517 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCS[C@@H](C)C1 2259199674 TXHBQZJTQSDULX-JYJNAYRXSA-N 269.498 4.633 30 10 CJEE CCCC1(CN(C)CCCCCCCS)CCC1 2263206474 RDHMVOQBGIXGDQ-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CC(C)(C)C[C@H]1CCN(CCCCCCCS)C1 2263207106 KTJXBIUBGIIAPR-OAHLLOKOSA-N 271.514 4.625 30 10 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4.815 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cnc(CC)s1 2271842547 XKCGECJQEFCGQN-CQSZACIVSA-N 280.481 4.883 30 10 CJEE C=C(C)CN(Cc1cccc(C(C)(C)C)c1)C(C)C 2274435401 GZZYDIKAHXNKCI-UHFFFAOYSA-N 259.437 4.771 30 10 CJEE C=C(F)C[C@](C)(CCCCCCCC)OCCCN 2276744776 XNSYXPBIDSWSOM-INIZCTEOSA-N 273.436 4.734 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1C)OCCCN 2277322236 KOOAUZWLXPUYNQ-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC1=CCCCC1)NC 2281257801 GQVUKJLWOOVYIY-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc(OC)ccc2Cl)C1 2283347703 WXZNOSCHFWRTEQ-QGZVFWFLSA-N 293.838 4.746 30 10 CJEE CC#CCCC[C@@H](NCCC)c1c(F)cc(C)cc1F 2283507877 VDRKQZBNXIPUQF-MRXNPFEDSA-N 279.374 4.508 30 10 CJEE C[C@H](CC(=O)CC=CC#CC(C)(C)C)c1ccccc1 2284087916 HJJLKLJUXPKIGR-MRXNPFEDSA-N 268.400 4.745 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1c(F)cccc1Cl 2284107423 NLBQNMPBNCWELY-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1CCCC(F)(F)CC1 2284179250 XVKRKEJCYWWPPX-GJZGRUSLSA-N 283.406 4.525 30 10 CJEE C=CCCCCCCCS[C@H](c1cccnc1)[C@@H](C)N 2287091233 VMPSWHRVFXGOPN-WBVHZDCISA-N 292.492 4.730 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C)cc(C)n1 2287414740 REGMJOYZVQUIIQ-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE CC(C)CCC[C@@H](C)CCC(=O)c1cccc(C#N)c1 2287972085 KBPUDYQSHCELRD-OAHLLOKOSA-N 271.404 4.984 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](CC(C)C)S1 2287980702 CNLQMNCNWPJROC-HOTGVXAUSA-N 298.540 4.946 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccccc1SC 2289787329 QXEVDLWIAAAZPG-QGZVFWFLSA-N 287.472 4.643 30 10 CJEE CCCCCCCCC[C@]1(OCC(=O)O)C[C@@H](C)[C@H]1C 2290566297 QIFLYABDZLARMP-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCCCC1(OCCN)CCCC1 2292568569 PUHQNUMUBOBXRS-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=C(CC)C[C@](C)(OCCCN)C1CCC(CC)CC1 2293063714 RYSYRITXJWOEJB-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCC12CCCC2 2293267856 CYUBWBANKJEWSM-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@]1(OCCN)C[C@H](C)CC[C@@H]1C(C)C 2293302010 VHKWRBCFIRFUPN-KURKYZTESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H](C)[C@@H]1C 2293409265 YZMLSUBVEMJQLO-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@]12CCCC[C@H]1C2 2294360313 CWICMVNWCNGXLD-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1cccc2ccsc12 2295155925 ZJIOTUYNZCMAOF-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCCCCCC[C@H](C)NCc1oc(C)nc1C 2295667920 BYKFVZBZISCUTP-AWEZNQCLSA-N 280.456 4.910 30 10 CJEE CCCCCCSC[C@@](C#N)(C[C@H](C)CC)NC1CC1 2295711572 PIHQOLZFRIOIJR-WBVHZDCISA-N 296.524 4.750 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1csc(C)c1C 2304050246 WSCLULAEQNKLIL-HUUCEWRRSA-N 251.439 4.618 30 10 CJEE CC1(C)CC(CS)(CSCC2=CCCCC2)C1 2304517014 ICVFFNISDYIFPB-UHFFFAOYSA-N 270.507 4.956 30 10 CJEE C=CCCCCCCCC[C@]1(N)CC[C@@H]1SC 2307783965 SPBAJFGZCDXWGL-GJZGRUSLSA-N 255.471 4.516 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2C[C@@H]2C1 2308145983 WMIRIHXPSDOLIK-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(C)C 2312118178 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C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1CCC[C@@H](C)C1 2321112191 CYICGYKXDCAMFC-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@H]1CCC(C)(C)C1)NCC 2321604606 DJFOZWHHUMQXNW-HRCADAONSA-N 251.458 4.783 30 10 CJEE CC#CCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2325243288 RYGZWQDQKDHOMP-CQSZACIVSA-N 288.193 4.587 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOC[C@](C)(CS)C(C)(C)C 2327168441 PKNWKKVKSYVRRT-IJEWVQPXSA-N 272.498 4.812 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCC1 2332701411 BFPHKMQQRGMQES-DZJNRPSUSA-N 263.469 4.783 30 10 CJEE C=C1CC(CNCCC)(C(CC2CC2)CC2CC2)C1 2335145931 QFZCTNJUMQOQLC-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(CNCC(C)C)c1 2335240584 CXIWQTSYOMPQSX-CYBMUJFWSA-N 281.440 4.628 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@](C)(CC)C(F)F)CCC1 2336605203 INMHKZCDPKOQRI-HIFRSBDPSA-N 273.411 4.782 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(Cl)ccc21 2337072082 BQPSDWONLYTWQM-GXFFZTMASA-N 292.835 4.896 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCCC12CCCCC2 2337096233 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C=CCC(C)(C)[C@H](Cc1ccc(Cl)cc1F)NCC 2344374901 AABIHVQFIIYQLH-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@H](CC1CC2(CCCC2)C1)NCCC 2344380186 KLSZTCYCBJJZSX-RDJZCZTQSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC2(CCCCC2)C1 2352002177 NOHJETCPAJUCBC-XJKSGUPXSA-N 282.449 4.642 30 10 CJEE CCCCCCCCCCCCO[C@@H]1C[C@H]2CN[C@@H]1C2 2355618468 AAYXDHTWSLIDFL-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE CCC#CC[C@@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219816 NJIYSMFWSDGZFZ-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1ccccc1C(F)(F)F 19921543 QZBGSLBUAUWRQH-LLVKDONJSA-N 290.288 4.750 30 10 CJEE CC(C)c1nc2cc(Cl)c(Cl)cc2n1CCCC#N 57869275 ZEFMKZGELFIPGE-UHFFFAOYSA-N 296.201 4.770 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCCC)CCCC 59090502 NMFQDKTUKDEDOZ-GOSISDBHSA-N 284.532 4.967 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N1CCC2(CCCCC2)CC1 61819920 QIAIONSSMVDFFZ-DLBZAZTESA-N 274.452 4.505 30 10 CJEE C=CCSc1nc(Cl)c2cc(CCC)sc2n1 71715761 DXAIJYLXGSDUMV-UHFFFAOYSA-N 284.837 4.575 30 10 CJEE CC[C@@H](C)c1ccc(-c2cc(C#N)nn2CC(C)C)cc1 76849425 XXJDNSILMQFSKU-CQSZACIVSA-N 281.403 4.591 30 10 CJEE CC(C)Sc1ccc(C(=O)/C=C/c2ccco2)cc1 83193116 ZXXOHKRKCJXRLD-JXMROGBWSA-N 272.369 4.676 30 10 CJEE CN(Cc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 87759904 JKQAOYCOBCTIOG-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1ccc2c(c1)C[C@H](CC1(C#N)CCC(C)(C)CC1)O2 90902685 QILHZCLASVNHCV-MRXNPFEDSA-N 283.415 4.799 30 10 CJEE CCC(CC)N(CCCCCCS)CC(C)C 94582118 DAPFMQRPYGRKGU-UHFFFAOYSA-N 259.503 4.623 30 10 CJEE CCCCCCCCCCN1Cc2cccc(N)c2C1 103949377 MBFVUENNYMHXOK-UHFFFAOYSA-N 274.452 4.725 30 10 CJEE CN(Cc1ccc(Cl)c(Cl)c1)c1ccccc1C#N 105881255 SACPVJLKJAZDBN-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(Cl)cc1 109718714 AEPNTWDLPFHPKY-HNNXBMFYSA-N 253.817 4.570 30 10 CJEE CCCCCCCCCCOC(=O)c1c(C)cccc1N 109895670 WEYZQLPBNJRQEC-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CCCCCCCCCCNC(=O)c1ccccc1OC 110034383 KGCGHMUFPXJGAN-UHFFFAOYSA-N 291.435 4.566 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC(C)(CC)CC2)C1 110265604 VSTMXVZPFXRGCU-GVDBMIGSSA-N 276.468 4.607 30 10 CJEE CCCCCCCCSc1cccc(CN)c1 117890157 BOXGIWMFMAUJEQ-UHFFFAOYSA-N 251.439 4.598 30 10 CJEE CCCCCCCC[C@]1(N)CCc2ccc(OC)cc21 118734528 KDMYNTSSJKBXSD-SFHVURJKSA-N 275.436 4.546 30 10 CJEE CCCCCCC[C@@H](O)c1sccc1Br 122227627 QDHZDVPNWDBDSQ-LLVKDONJSA-N 291.254 4.905 30 10 CJEE Cc1ccc(C#N)c(Nc2c(F)cc(F)cc2Cl)c1 124308717 UMTLYMFNMYCOJA-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CSCCS1 125169057 PMADGXCEGMRUQM-HUUCEWRRSA-N 289.554 4.564 30 10 CJEE CCCCCCCCCCNc1nc(OC)ncc1Cl 125977813 ITZQQDFJUWUMDV-UHFFFAOYSA-N 299.846 4.691 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(F)cc2C)C1 128625402 VBJCJXAXGZYOQN-WMLDXEAASA-N 259.368 4.787 30 10 CJEE CCCCCCCCCCNCc1cc(C#N)ccc1F 129375297 YKFMUERLDGXFNJ-UHFFFAOYSA-N 290.426 4.928 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCC[C@H](N)C1 131791836 IYUNULJLJMWFIX-ROUUACIJSA-N 283.500 4.930 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncc(C)cc1C 157728111 ZOHOJSKXOJXURZ-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](OCC)C(C)C 158226194 RKOZCMVBTMREEU-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE N#Cc1cc(F)cc(CNc2cccc(Cl)c2Cl)c1 162920759 IOVYQTVUHPDJJE-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@](C)(CC)OC 163479684 WFLSYSABQJXDPR-DLBZAZTESA-N 271.489 4.920 30 10 CJEE C=C(C)CCO[C@H](C)C(=O)c1ccc(Cl)cc1Cl 164279089 MOKHHULZCPSLOD-SNVBAGLBSA-N 287.186 4.547 30 10 CJEE CCCCCCC[C@H](NCCC)C(CC)(CC)OC 164628124 ANJSGNMGIWVBJM-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CCCCC1 167226272 CVKUSFJMNAARPM-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCCC[C@@H](N)CCc1ccc2c(c1)CCO2 167334505 DZUNPAKSKMTWOT-GOSISDBHSA-N 289.463 4.632 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(F)c(F)c1F 167678371 IDYMBZSHDVVELJ-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](OC)c1ccccc1 167854722 SBGIFLLGLNQZOD-ROUUACIJSA-N 277.452 4.842 30 10 CJEE Cc1ccc(C(=O)/C=C/c2cccc3cnccc23)s1 180929736 OZLPJOWWAOUAET-VOTSOKGWSA-N 279.364 4.501 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 212289070 SQQKYWBBYQMSEW-KURKYZTESA-N 265.485 4.887 30 10 CJEE CCCc1c(-c2cc(Cl)ccc2C)sc(C#N)c1N 213918353 YYKPRFURELILSE-UHFFFAOYSA-N 290.819 4.783 30 10 CJEE CCCCCCCc1nc2c([nH]1)C[C@@H](C(F)(F)F)CC2 216976236 JAEDDDRNKCBQFM-NSHDSACASA-N 288.357 4.590 30 10 CJEE Cc1cccc(C#N)c1Oc1ccc(C(C)(C)C)cc1 221136735 AFSINYIWRQVWHG-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC3(CCCC3)O2)C1 229465601 YUNLFIUHZDTCRB-OWCLPIDISA-N 261.409 4.588 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(F)c(Cl)cc1F 229753604 ODCRRDBUOFLQJA-CQSZACIVSA-N 273.754 4.625 30 10 CJEE C=CCSCCNCCCCCCCCCC 231931345 OZWDFGOVCVAWMB-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE CCCC1(CCC)CN(c2ccc(C#N)cc2Cl)C1 232935991 APLUIMJYFMOYFV-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(F)c(C)c1 233608644 NOGTXDOTQPTRPP-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE Cc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1C#N 235538273 HFBHESAJLYHUAP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(Cl)c(F)c1 236162058 JUNUYUGXEWCCJR-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE O=C(C=C1CCCCC1)[C@H]1CCOC2(CCCCC2)C1 236405349 AZPISVKORMXAEF-INIZCTEOSA-N 276.420 4.576 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1[C@H]1CCCC1=O 250799705 CEBLDJNNNMDTDW-IAGOWNOFSA-N 279.468 4.571 30 10 CJEE C#CCC[C@H](NCCC)[C@@H](c1ccccc1)[C@H](C)CC 253040078 KBUOMJXVSDQJKT-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE N#CC1(c2ccccc2SC(F)F)CCCCC1 260173747 JTOWNJIUGVTMPO-UHFFFAOYSA-N 267.344 4.727 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1C(=O)O 300258881 YXCIERPMMFEZRJ-RBSFLKMASA-N 252.398 4.650 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1CCC(F)(F)C1 310411421 KZSSJSUCLNZFNF-UONOGXRCSA-N 261.400 4.890 30 10 CJEE CC(C)(C)CC[C@@](C)(O)C1(C#N)CCCCCCC1 311545422 JQCCCVHPYGGDCM-MRXNPFEDSA-N 265.441 4.818 30 10 CJEE CCCCCCCCCCN[C@@H](CC)[C@@H]1CCOC1 311701590 HXGNZBCTMXDJJG-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCC(C)(C)CN[C@@H](c1ccc(Cl)cc1)C1CC1 311779099 YDRUUOHPXLUCMM-MRXNPFEDSA-N 277.839 4.983 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)cc1F 312289505 QYIIVUBHACBSNF-INIZCTEOSA-N 295.829 4.959 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 318005297 QYZIJGXDOROHPW-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCNCc1ccccc1OC(F)F 380395891 OZALQNCFEZVYEV-UHFFFAOYSA-N 283.362 4.514 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C1(O)CCC2(CCCC2)CC1 385146503 JHYFGWIXGUKHAM-DOTOQJQBSA-N 275.436 4.572 30 10 CJEE C1CCCC(C/N=C2/NCC3(CCCCC3)CS2)CC1 389525741 ATSXBWJOLJFATE-UHFFFAOYSA-N 294.508 4.600 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Br)oc1C 396530327 KCZCEKXQTOJWKX-LBPRGKRZSA-N 287.197 4.520 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCOC1)NCCC 400993736 AZMCXUJXGAJMDO-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]1C1CC1 455252529 UZTDYTGNXZUVGZ-QGZVFWFLSA-N 298.430 4.555 30 10 CJEE CC(C)c1cccc(CN[C@H](C)c2ccc(C#N)cc2F)c1 480685597 XMBUHIPHGOBRGK-CQSZACIVSA-N 296.389 4.672 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(C)CCOC1 687395894 WOWSCUNMFDNDOH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@]2(C)CC2(F)F)CC1 701766268 GZCABCACCFTIJF-MOKVOYLWSA-N 255.352 4.778 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@H]1CCC12CCCCC2 703685870 BDQGCKRQIPJODI-INIZCTEOSA-N 288.822 4.761 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccc(Cl)cn2)CC1 703871615 ADDGZQBJKONJTQ-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE CCCCCCCCCCCCC1(N)CC(OC)C1 705021933 AKWKHWAHAMHPQD-UHFFFAOYSA-N 269.473 4.804 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)CSCC 707155414 NBPMDDKORRBJQA-AWEZNQCLSA-N 291.570 4.576 30 10 CJEE CCCCCCCCCNCc1csc(C2CC2)n1 708242406 ZWQYZTIYQBHUFO-UHFFFAOYSA-N 280.481 4.861 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC(C)(C)OC1(C)C 709698722 UOWFWZLGRNYWER-HOTGVXAUSA-N 283.500 4.919 30 10 CJEE C[C@@H](CC(C)(C)C#N)SCc1ccc(Cl)cc1 709991014 PSPAGUZCALSOTA-NSHDSACASA-N 267.825 4.902 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)c(C)s1 710674412 HZSCHMXOPZTNCK-GFCCVEGCSA-N 257.830 4.548 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 715792536 CEWHRFVQOCNDJS-HZMVEIRTSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)C[C@H](C)CO1 718522623 VICPVPQUQNLFHX-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@H]1O 719211248 AKSJAXVJRUYSNT-HOTGVXAUSA-N 270.457 4.693 30 10 CJEE CSC1CCC(C(=O)C2=CCCCCCC2)CC1 720505632 HWPJDMGHWRLESU-UHFFFAOYSA-N 266.450 4.758 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 720884913 RYOWJAWAGUNHND-ONWVLEABSA-N 275.436 4.834 30 10 CJEE Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C#N 723623568 CGCHKFYYFLQTPQ-RLFYNMQTSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CNCc2cccc(Cl)c2Cl)CC1 724543782 HHWDOTFTVURWDQ-UHFFFAOYSA-N 284.230 4.829 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](CC)CC[C@@H]2CNC)CC1 724620042 ZHMYMXAGMDFPHY-NXHRZFHOSA-N 263.469 4.785 30 10 CJEE C#CCCCCCC(=O)Nc1c(C)cccc1C(C)C 779715922 QZBSDASMZBRECY-UHFFFAOYSA-N 271.404 4.641 30 10 CJEE COc1cc(C)c(C=NNc2ccc(C)cc2)cc1C(C)C 1084098804 QVHUCSPIMGHSFY-UHFFFAOYSA-N 296.414 4.881 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2ccsc12 1130905333 XWISSLPIUGZOKI-BBRMVZONSA-N 299.439 4.766 30 10 CJEE C=CCN(CCC(C)(C)C1CC1)Cc1ccccc1F 1167137751 FCBJOPWEONQQRQ-UHFFFAOYSA-N 275.411 4.640 30 10 CJEE C=CCCCCN(Cc1cccc(F)c1)C1CCCC1 1167982247 AVLCRPCNAGMGIM-UHFFFAOYSA-N 275.411 4.927 30 10 CJEE C=CCCCCN1CCC[C@@H]1CCCc1ccccc1 1168156392 UNTUIAKMMBNFQN-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C=CCC1(CNCc2cc(Cl)c(C)cc2O)CCCC1 1181752080 DVYSJSRBBSYXMU-UHFFFAOYSA-N 293.838 4.580 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1CCCCC1)c1ccccc1 1264241799 PMRDWGXRROYKBK-LJQANCHMSA-N 299.458 4.823 30 10 CJEE C#CCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 1264869642 UJSJCNDRMOYNSK-IRXDYDNUSA-N 291.479 4.539 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CC(C)(C)CC[C@H]3C)cc21 1308959552 RJKODZHVWOXPPP-RHSMWYFYSA-N 297.446 4.849 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CCC1 1351882597 NTRVQGVPYAJNPN-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(CCCC)cc1 1353218760 SFNKSGUZFRYVKL-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)CCCCC1 1355223939 CDANXROKXFTOAW-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](CCC=C)c1ccccc1 1435671495 UOMRQCDJYAYAJX-WMZOPIPTSA-N 285.431 4.597 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C 1439078489 HBLFQVOKNYYDRR-SJORKVTESA-N 299.458 4.535 30 10 CJEE C=C(CC)CN(CC)[C@@H](CC)Cc1ccc(C)cc1 1459551992 UHHVCOLLAJZLBC-SFHVURJKSA-N 259.437 4.604 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H]1Cc1ccccc1 1459958524 CILOZWOTCIUDCZ-UXHICEINSA-N 283.459 4.571 30 10 CJEE C=C(C)CN(C)C(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1461723309 MPFLXMPQHKWKHF-MRXNPFEDSA-N 293.838 4.504 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 1471246557 IDBBRJCQVNFKJB-CABCVRRESA-N 294.483 4.587 30 10 CJEE C=CCCCCNC(=O)c1cc2c(Cl)cccc2s1 1530014569 GCBHPZJLQSZBEJ-UHFFFAOYSA-N 293.819 4.641 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)c1cccc2ccccc12 1531991778 YCKUPXXYNXVFKT-OAHLLOKOSA-N 281.399 4.795 30 10 CJEE C#Cc1ccc(NC(=O)c2cccc(C(C)C)c2)c(Cl)c1 1538775003 PCZQXKUNPWYZMW-UHFFFAOYSA-N 297.785 4.697 30 10 CJEE C=CCCCN(CC)C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1539022209 BYZSQYAOONCSCL-HZPDHXFCSA-N 279.468 4.654 30 10 CJEE C=CCCC1(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 1560928944 IXZMYURMFJJGQM-ZACQAIPSSA-N 261.453 4.539 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@H](CC(C)C)c2ccccc2)C1 1583960846 KVPPZLMJVOYZPM-PKOBYXMFSA-N 299.458 4.631 30 10 CJEE C=CCC1(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CCCC1 1587304659 JCTGDHUNVJQZKB-GOSISDBHSA-N 289.463 4.766 30 10 CJEE C=CCCCN[C@H]1CCCC[C@H](c2ccccc2)C1 1620924125 JMPKVRVRKPMTFS-ROUUACIJSA-N 257.421 4.659 30 10 CJEE CCc1ccc([C@@H]2CCCCCN2C[C@H](C)CCC#N)o1 1621142285 GTUXTJALPSCVLV-WBVHZDCISA-N 288.435 4.699 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cc(F)cc(Cl)c1 1623209155 KDMTWAWIUPQKCH-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE CCC[C@@H]1CCCC[C@@H]1CNc1snc(Cl)c1C#N 1640028917 FISMXFOUGXNOIE-GHMZBOCLSA-N 297.855 4.687 30 10 CJEE C=CCN(CC1CCCCC1)CC12CCC(CC1)C2 1641765334 PJYXJNDGQOKZGX-UHFFFAOYSA-N 261.453 4.635 30 10 CJEE C=CCCCN(Cc1cc(F)ccc1F)C1CCCC1 1641971006 IXXQUXHNKWTUTK-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=C(C)CCN(Cc1ccc(F)c(Cl)c1)CC(C)C 1643975557 BWFPUCAAXHPWSR-UHFFFAOYSA-N 283.818 4.903 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)/C=C\CCCCCCCCC 1647656000 HKJXJRMADWGEAX-XSVZSIDJSA-N 289.463 4.698 30 10 CJEE C=CCC1(NCc2ccccc2CC)CCCCC1 1654518408 MXNBTJFKSISIMU-UHFFFAOYSA-N 257.421 4.618 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(C)c(OC(C)C)c2)C1 1657944157 VDQFOFIRQMVSNK-HOTGVXAUSA-N 273.420 4.939 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CC[C@H](OCCC(C)C)CC1 1658559144 GTLVQYUTFVBXSE-KZNAEPCWSA-N 281.484 4.695 30 10 CJEE C#CCCCCCCN[C@@H]1CCc2ccc(C(C)C)cc21 1659550883 ARPHRIDMYXSLSR-HXUWFJFHSA-N 283.459 4.971 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 1659665125 YWWOVFHOWVRRDX-ULQDDVLXSA-N 293.495 4.837 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 1662539654 BICFCRJBLJGECH-WRSAYESZSA-N 291.385 4.677 30 10 CJEE C=CCCCCCCCNC(=O)N1C[C@@H](C)CCC[C@H]1C 1673405683 DNIUXENIENBEJS-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CC[C@H]1CCCN(C(=O)NCCCCCCCCC)C1 1682386867 ZWOQTXKZCCATNH-KRWDZBQOSA-N 294.483 4.735 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCCC[C@H]1C(C)C 1687270314 BGJAQJMABDNIFI-INIZCTEOSA-N 294.483 4.589 30 10 CJEE N#Cc1ncc(Cl)cc1-c1cc(Cl)ccc1Cl 1848378052 OTLNLBXETMZXQD-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC#CCCC[C@@]1(CNC2CC2)CCC[C@@H](CC)C1 1879644895 RQFMHFTXSRRWMG-SJLPKXTDSA-N 261.453 4.519 30 10 CJEE C=C(C)CN(CC[C@@]12CCC[C@H]1C2)Cc1ccccc1 1882373442 CFKDTJNMKHTESO-RBUKOAKNSA-N 269.432 4.645 30 10 CJEE C=CCN(Cc1csc2ccccc12)C1CCCC1 1883927261 YYLAQCVFYMUBGV-UHFFFAOYSA-N 271.429 4.832 30 10 CJEE CC#CCCCC[C@@H](NCC)C1CCC(CC)CC1 1885238585 WOIZYGWZJOEHQE-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C#CC[C@@H](C)CC[C@@H](NCCC)c1ccc(Cl)cc1 1887488335 HEEJWDNERZVQPE-RHSMWYFYSA-N 277.839 4.820 30 10 CJEE C=C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C1CCC1 1892941294 FGNDHSYAILXDRY-LLVKDONJSA-N 290.716 4.520 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 1907592567 CVEWGBSMPWVCNO-ZNMIVQPWSA-N 257.849 4.570 30 10 CJEE CCCCCCC[C@@](C)(OCCCC(C)C)C(=O)O 1912234028 WNMHYWLYOHIHFY-MRXNPFEDSA-N 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CCCN[C@](C#N)(CC)CCCSCC1=CCCCC1 2281265507 JGRYVEXZMJWKNH-QGZVFWFLSA-N 294.508 4.672 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](O)c1csc(C2CC2)c1 2283070313 WEUUXHOKEXIFLH-WBVHZDCISA-N 295.492 4.737 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(OC)cc3Cl)C[C@@H](C1)C2 2283277227 GZOWBCVSLGYOKA-PBWFPOADSA-N 291.822 4.895 30 10 CJEE CCCCCCCCN(C)c1ccc([C@@H](C)N)c(C)c1 2285141299 TZFRKKGOPDCCIU-MRXNPFEDSA-N 276.468 4.811 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCc2ccccc21 2287368925 BZOOXIMNXFHLNM-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)Cc1sc(C)c(C)c1C 2287674337 QAFOGWILKDAIMH-KRWDZBQOSA-N 295.492 4.501 30 10 CJEE CC1CC2(C1)CC(C[C@@]1(C#N)CCc3ccccc31)C2 2287772445 ULAWFUZTGBHJIR-LBOWEKIUSA-N 265.400 4.611 30 10 CJEE CO[C@@H]1CCC[C@](C=O)(CC2CC(CC(C)(C)C)C2)C1 2289877204 SYDNHAOIKPPBGB-IOTAOYMUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCC[C@@](C)(CCC=C)OCCC(=O)O 2291282660 CEYDYKCJYWQACF-QGZVFWFLSA-N 282.424 4.729 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CCC[C@@H]1C)OCCN 2292998972 BWGZIKHWFXFFJU-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1ccncc1Cl 2293407594 JPCRQIQWAHJXFW-MRXNPFEDSA-N 298.858 4.502 30 10 CJEE C=C=CCC[C@](C)(CCCCCCCC)OCCCN 2293616730 IWXFBIGACFUWCI-GOSISDBHSA-N 281.484 4.982 30 10 CJEE CCCCCCCC1(OCCCN)CC2(CC(C)C2)C1 2293655363 QDWVRIABPDLFNG-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CC(C)(C)CC[C@H]1C 2294042055 NFZZHVALIYAMFG-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CCCC[C@@H]1F 2294321639 XFMSHWBVQFXYOE-IKGGRYGDSA-N 287.463 4.609 30 10 CJEE C=CC[C@@](C)(Nc1ccc2ccc(Cl)cc2n1)C(F)F 2295009063 OUVSACFRGNECEQ-OAHLLOKOSA-N 296.748 4.900 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nnc(CCC)s1 2295587741 CQUCVSJHKYFTJH-INIZCTEOSA-N 298.496 4.839 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCN(CCC)C1 2295672044 XZFSGSILKVQEOH-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@H]1CC[C@H](C)C1 2295674426 RBFDTMSEOIGUIL-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](NCCC)CCN1C 2295680003 VEZNVGCGHFKCRL-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=C(C)CCCCNCCCN(CCCC)CCCC 2295721243 ALBFABGCGIHDEJ-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE C=CC[C@@H](C)Sc1ccsc1CN[C@@H](C)CC 2298930206 JCTAUPJKTOIMRN-NWDGAFQWSA-N 269.479 4.693 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](C)SC 2299417255 LCNNDYZEFZYKHA-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@@H](O)[C@@](C)(CC)C(F)F 2299839299 UIVGMDSLCDNEJL-TZMCWYRMSA-N 250.373 4.779 30 10 CJEE CCCC[C@H](CC)OC[C@@](C)(CS)C(C)(C)C 2307110248 VFPPLXZCWSWDQN-ZFWWWQNUSA-N 260.487 4.954 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC1CCCCC1 2307144647 IDBVHBHZKQRZRV-OAHLLOKOSA-N 258.471 4.566 30 10 CJEE C=CCCCCCCSc1c(O)cccc1F 2307391784 NTEMIUDHNBUSCT-UHFFFAOYSA-N 254.370 4.760 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCC2(CCCCC2)[C@@H]1N 2313525732 ZTEOKFIOTAHKCI-RRFJBIMHSA-N 267.482 4.515 30 10 CJEE CSC1CC(C[C@@]2(C#N)CCCCC23CCC3)C1 2314264243 FECDEKROAOWCGE-ZBCRRDGASA-N 263.450 4.772 30 10 CJEE C=CCCCCCCCCN(C)C1[C@@H](C)C[C@@H]1C 2316979357 DVGQUXSPLUSPTE-HOTGVXAUSA-N 251.458 4.879 30 10 CJEE C=CCC[C@H](C)N(C)Cc1ccc(F)c(C)c1Cl 2317039105 AMQIKPDERCMOQI-NSHDSACASA-N 269.791 4.574 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc2ccsc12 2319254124 ADVPUKSIAGHDDA-CABCVRRESA-N 257.402 4.518 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC1CCC(CC)CC1 2321114211 VTNMDFDBMUTUEZ-SJJHQCBESA-N 251.458 4.913 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1 2324434406 IAUDKAKNNNYOHT-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)CC1 2331317959 VVGPHUNNSPSFOB-UGUYLWEFSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333365720 UCHNQKPVZWFMTI-KFGODFMUSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(C)cc1)[C@H](C)N 2335100215 FZDGRSSGQOBQMB-YOEHRIQHSA-N 275.461 4.637 30 10 CJEE C=C([C@H](NC)c1cc(C)c(OC)c(Cl)c1)C(C)(C)C 2335109434 SSPZDHGGDMKYNI-AWEZNQCLSA-N 281.827 4.520 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2335201351 SZXCRIWBJPCTOG-SOUVJXGZSA-N 283.525 4.877 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2337113745 JWJWQEJEAQPNFE-KCYAQADSSA-N 261.453 4.536 30 10 CJEE C=C([C@@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2)[Si](C)(C)C 2338686298 KVQZMRUXUDJINE-LUKYLMHMSA-N 279.544 4.615 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H]2CCCC[C@H]21 2338803750 FZYIXPDFLIBJPK-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCCC[C@H]1C(C)C 2339906814 AKBUGZDRWHONPR-FUHWJXTLSA-N 255.405 4.685 30 10 CJEE C[C@](O)(C1(Cl)CCCC1)C1(C#N)CCCCCCC1 2340690531 UBOKBNAQYSXNPB-CQSZACIVSA-N 283.843 4.543 30 10 CJEE C=C[C@H]1CCCN(CCCc2cc(Cl)cc(Cl)c2)C1 2341131604 MWPKUEWLKFGXMR-ZDUSSCGKSA-N 298.257 4.824 30 10 CJEE C=C1CC(NCC2(C)CCCCCC2)(C(F)(F)F)C1 2342887164 URDZGXGOWPTTDT-UHFFFAOYSA-N 275.358 4.588 30 10 CJEE CCCC[C@](C#N)(CC)C[C@H]1C[C@](OC)(C(F)F)C1 2343058531 RZGOEBAUDYNPOL-YUELXQCFSA-N 273.367 4.547 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(F)ccc1C 2344343575 OXFIYDQUKABNCI-SJORKVTESA-N 263.400 4.777 30 10 CJEE C#Cc1ncccc1N[C@@H](C)c1cc(Cl)ccc1Cl 2346050381 NRYKDJWKCFFYDQ-JTQLQIEISA-N 291.181 4.543 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C[C@H](C)CC)C(=O)O 2352000661 HISPJBYJWBAGIR-CZUORRHYSA-N 284.465 4.910 30 10 CJEE C#CCCCCCCCOc1c(N)ccc(Cl)c1C 2353125687 KEMMMNREGYGKBV-UHFFFAOYSA-N 279.811 4.583 30 10 CJEE CCC(CC)(Nc1ccc(C#N)c(SC)c1)C(F)F 2353832367 QKJKDQPEGMJDKW-UHFFFAOYSA-N 284.375 4.516 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1O2)NC 2355049231 HFRYWVLTMMXNFT-XDNAFOTISA-N 281.484 4.673 30 10 CJEE CCC#CC[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2355404029 HKJFZMIXDIXORC-VJANTYMQSA-N 275.480 4.765 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2355989817 AJQRGZSIMMTCGD-DGAVXFQQSA-N 282.374 4.619 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2359220143 QNFDMJOMJRQLKL-ZRSRNVLSSA-N 275.480 4.927 30 10 CJEE C=CCC(CC=C)OC[C@@H](NCC)c1ccc(Cl)cc1 2360219368 HUTKZVZYNZGMOB-QGZVFWFLSA-N 293.838 4.528 30 10 CJEE CC(C)c1cccc(/N=C2\NC[C@H](c3ccccc3)S2)c1 35295230 KRMMCZGFKGYBFG-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE Cc1ccc(SCCCOc2cccc(C#N)c2)c(C)c1 37143594 YAZJCGGEQINHMF-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(F)cc1F 37156743 WCASXNHOTLMGAV-ZWNOBZJWSA-N 267.344 4.529 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)CCc1ccco1 37766902 PCGCVVDJDULNSP-AWEZNQCLSA-N 287.428 4.991 30 10 CJEE Cc1ccc(C[C@H](C#N)c2c(C)cc(C)cc2C)cc1 57723389 PONBECUBWKZQFI-GOSISDBHSA-N 263.384 4.770 30 10 CJEE CCCCCCCCOC[C@@H](N)c1c(C)cc(C)cc1C 59083642 JLIPPKSJZPEJKV-GOSISDBHSA-N 291.479 4.989 30 10 CJEE C=CCCC[C@H](NC)C1(c2ccccc2)CCCCC1 71277421 RFSLEVVAXJXMBT-SFHVURJKSA-N 271.448 4.833 30 10 CJEE N#C[C@]1([C@@H]2C=CC=C[C@@H]2C(F)(F)F)CC2=CCC=C[C@@H]2C1 75933660 NBQMXFQLDWKAEQ-DMRZNYOFSA-N 291.316 4.713 30 10 CJEE CCOc1ccc(CC)cc1C(=O)/C=C/c1cccs1 83193945 NRWNYCYRVZAONH-CMDGGOBGSA-N 286.396 4.605 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)s2)CCc2ccccc2C1 87998369 VHBCXPUZCNGFRD-MRXNPFEDSA-N 287.815 4.643 30 10 CJEE N#CC1(Sc2ccccc2Cl)CCCCC1 90234082 XSRZIWVZSYJDLY-UHFFFAOYSA-N 251.782 4.659 30 10 CJEE COc1ccc(OCC[C@H](C)CCS)c(C(C)(C)C)c1 94583370 KYXMCEBDESPJNR-ZDUSSCGKSA-N 296.476 4.718 30 10 CJEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccccc1CC)C2 100937367 PQJLXAKRPQJGAD-HNAYVOBHSA-N 283.415 4.570 30 10 CJEE CCCCCCCC[C@H](N)CCOc1ccccc1 103946334 OZZXPARQAKMLMV-INIZCTEOSA-N 263.425 4.533 30 10 CJEE CCCCCCCCNC[C@@H](c1ccco1)N(CC)CC 106351721 ZQDAGHFJTKQUSC-KRWDZBQOSA-N 294.483 4.613 30 10 CJEE C[C@@H]1CC(C)(C)C[C@](C#N)(Nc2ccc(Cl)cc2)C1 110028585 RZQPNIBCGPXWLA-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C[C@@H]1CC(C)(C)C[C@](C#N)(Nc2ccccc2Cl)C1 110028961 INFSCTNPBVSJGI-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(F)cc1F 114782657 VBIQCTVEANZGSQ-INIZCTEOSA-N 283.406 4.975 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCCC)[C@@]1(C)CC 117341536 ZCBOSZSMVOADQO-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCn1ccc([C@@H](C)NC)c1 118239423 DZFNSNSTNFJCGL-OAHLLOKOSA-N 250.430 4.519 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCOc2ccccc21)NC 123125578 ASSVVGOGTNSPHE-SJORKVTESA-N 289.463 4.891 30 10 CJEE C=CCCC[C@H](NCC)c1sccc1Br 128843787 RRDNFMJJUUCLHQ-NSHDSACASA-N 288.254 4.518 30 10 CJEE CSc1cccc(Sc2cc(F)ccc2F)c1C#N 136992698 PAAFBGSYXXZGTF-UHFFFAOYSA-N 293.363 4.710 30 10 CJEE CCCCCCCCC1(O)C2CC3CC(C2)CC1C3 138714717 PBSYPNQARPPKED-UHFFFAOYSA-N 264.453 4.924 30 10 CJEE CCCCCCCCC[C@H](O)c1ccccc1O 139584148 QPLHAWYXYRHVGS-HNNXBMFYSA-N 250.382 4.566 30 10 CJEE CCCCCCC[C@H](N)c1cccc(F)c1Cl 158117136 IKEFOBVVLNDVGB-ZDUSSCGKSA-N 257.780 4.839 30 10 CJEE N#Cc1cc(F)ccc1Sc1ccc(O)c2ccccc12 163449351 ZISUVMIRHQOIDA-UHFFFAOYSA-N 295.338 4.707 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1C)c1cccc(F)c1 166567921 WCFFMLSSNMXIFP-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CCCCCCCCCNC[C@@]1(C)CCCS1 167997502 FWHVEQLCEBVJEL-OAHLLOKOSA-N 257.487 4.612 30 10 CJEE C/C(=N\O)c1ccccc1OCc1csc2ccccc12 215578910 JGJONAAAYIGOQH-LDADJPATSA-N 297.379 4.679 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc(C(F)F)c2)C1 228430695 VBDXPTWTKAOZLL-PVUWLOKVSA-N 293.357 4.768 30 10 CJEE C=CCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1C 228826408 HEUHSEYTNITXLB-LLVKDONJSA-N 257.299 4.780 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccco1)NCC 229196702 ISHMGYXUXALUPV-INIZCTEOSA-N 265.441 4.941 30 10 CJEE CC(C)C[C@@H](C)Oc1ccc(C#N)c2ccccc12 232618863 OMLVWNJANFYZKV-CYBMUJFWSA-N 253.345 4.525 30 10 CJEE CC(C)CCSc1ccc(C#N)c2ccccc12 232674442 UQHOVJVNPOGMCC-UHFFFAOYSA-N 255.386 4.850 30 10 CJEE CCC(=CC(=O)Cc1cc(Cl)ccc1Cl)CC 232868189 YVTUMEMZZXPROM-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCO[C@@H]1CC 232958684 WYVGEYIRVAYFLF-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCC[C@@H](CC)Cn1ccc2cc(C#N)ccc21 233017735 HCSGNZPTMNLZGK-CQSZACIVSA-N 254.377 4.729 30 10 CJEE C=CCCCCC[C@H](NC)[C@@]1(OCC)CCC[C@@H](C)C1 233785806 IFLJVQZUHOQKFJ-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc(Cl)ccc2Cl)CC1 235292830 JCTSJBFCUDWIOM-VIFPVBQESA-N 269.171 4.923 30 10 CJEE Cc1ccc([C@H](C)NCCCCC(C)(C)C#N)cc1F 235506646 RMVHKXBLQNNQHL-AWEZNQCLSA-N 276.399 4.505 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCc2sccc21 236398903 GBOHWWDDMUEIML-AWEZNQCLSA-N 260.402 4.628 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@H]1CCC 250812425 HWJFTDIKWBIMEN-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCC1CCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@H]2C#N)CC1 251856870 SJCBQHATKFQLIX-RCCFBDPRSA-N 290.495 4.853 30 10 CJEE CC(C)c1ccccc1O[C@H]1C[C@H](C)CC[C@H]1C#N 252217749 ZPGQGZFVXHYHOP-KEYYUXOJSA-N 257.377 4.517 30 10 CJEE CC1(C)CC(=NO)c2cnc3c(ccc4ccccc43)c2C1 254579444 VTCYVMMENYSOCW-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE C[C@@H](CC#N)c1cc2c(Br)cccc2s1 260161560 WHQCLDOISIREAD-QMMMGPOBSA-N 280.190 4.681 30 10 CJEE N#CC[C@H]1CCc2cc(F)ccc2C12CCCCC2 260572494 LOVUMELGDAINSZ-CQSZACIVSA-N 257.352 4.504 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 300258591 XQJARFVQDSRINK-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CC(C)(C)C#CCC(=O)Cc1ccc(Cl)cc1Cl 305898724 WZZDYYSKWKJZPR-UHFFFAOYSA-N 283.198 4.545 30 10 CJEE C[C@@H]1CC[C@H](n2ccc3cc(C#N)ccc32)C[C@H]1C 311268034 PTOPIUXFBMADCX-IOASZLSFSA-N 252.361 4.510 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)[C@@H]1CCOC2(CCCCC2)C1 316709283 DAHGMGDUYZYKRH-NUJGCVRESA-N 278.436 4.511 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2cccc(Cl)c2Cl)O1 380063025 YNQXFNWZDAMBQH-AAEUAGOBSA-N 270.159 4.517 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)C2CCC(C(C)C)CC2)C1 380362074 NYEPTXFZWSKXJT-UIJHXXCUSA-N 277.452 4.530 30 10 CJEE Cc1cc(SC[C@@H](C#N)C2CCC2)nc2ccccc12 397363506 CDBCCKHQVRKRAH-CQSZACIVSA-N 282.412 4.575 30 10 CJEE C=C(C)C[C@H](C)c1nc(Cc2c(F)cccc2Cl)no1 567960691 WDOFXHDEQMIKBY-JTQLQIEISA-N 294.757 4.523 30 10 CJEE C=C[C@@H](C)N[C@H](C)c1ccc2ccccc2c1OC(F)F 675933544 GJTVFXOFRPEJTH-VXGBXAGGSA-N 291.341 4.666 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)O[C@@H]1C 686464185 LSWXRYRDRUCJNL-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@H](N)c1cc2sccc2s1 686694964 TVIBQAWHPHCZEE-NSHDSACASA-N 263.431 4.546 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1CCCC(F)(F)C1 686697629 RJXCTCDJQVFFIF-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CC(C)(C)CCOCC1(C=O)CC(C)(C)CC(C)(C)C1 688012806 QROCDKBIYDHBED-UHFFFAOYSA-N 282.468 4.861 30 10 CJEE 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C=CCCCCCCC[C@H](NCC)[C@@](C)(O)CCCC 2235522110 QERZVVTXZVHWPQ-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cccnc1C 2235523322 DRUOAVADQVKKGP-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCC[C@H](C(=O)O)c1ccccc1F 2235535332 OAUXBFKALJOGEP-HNNXBMFYSA-N 278.367 4.911 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](O)(CC)CCC(C)C 2235541795 LQFWUAZNTUXQIV-MSOLQXFVSA-N 283.500 4.808 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 2238161743 IYDCTHPTCLROBI-CHWSQXEVSA-N 274.383 4.714 30 10 CJEE C[C@@H]1O[C@H](C)C[C@]1(C#N)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2238906772 UZKSCYSUTAYZGS-UCIFAOBLSA-N 275.436 4.690 30 10 CJEE CC(C)(C)C#CCCNc1ccc(C(F)(F)F)cc1F 2239126728 BGWDCAWOHFAGHD-UHFFFAOYSA-N 287.300 4.696 30 10 CJEE CCCCCCCCCCCO[C@@]1(C(=O)O)CC[C@@H]1C 2239483427 NAQUETARRPAICN-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCCOc1cc([C@H](C)O)ccn1 2239485224 ZUFHHYIPENBAAN-HNNXBMFYSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCCOCC=C(CC)C(=O)OC 2239502208 RTGCRQNOSOBNGM-UHFFFAOYSA-N 284.440 4.653 30 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30 10 CJEE CCCC(CCC)[C@@H](O)CC=CC#CC(C)(C)C 2256760829 HMBSNZGFMOFCJG-INIZCTEOSA-N 250.426 4.560 30 10 CJEE C=CCCCCCCCN[C@@H](C(F)F)[C@@H](C)CC 2259072280 LJSMGLSHZOPMSM-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H](CC)CC(F)(F)F 2259233893 URDZSWSYPPYBMH-STQMWFEESA-N 265.363 4.690 30 10 CJEE SCCCCCCCN1CCC12CCCCCC2 2263211424 WABSPFBPSHIWBH-UHFFFAOYSA-N 269.498 4.665 30 10 CJEE CCCC[C@H](CC)CSc1cc(C)cc(C#N)n1 2263722712 KZPKFQJNPRDAOY-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE CC1(CC2(C#N)CCC3(CC2)CC3)CC(F)(F)C1 2263768991 CGFOPANGJXVZBK-UHFFFAOYSA-N 253.336 4.676 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CC[C@@H](C(F)(F)F)C1 2264931054 MAEGIKCZORSBAV-QWHCGFSZSA-N 274.326 4.815 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@@H]1CCCC12CC2)NCCC 2266638559 DLGYMXRWVCJVBO-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE N#C[C@@H](CSC[C@H]1CCCCC1(F)F)C1CCCC1 2267903721 IFQXWHAJWQCGEK-UONOGXRCSA-N 287.419 4.875 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(O)cc1C 2268035049 NWRRLRAJECQYSG-KRWDZBQOSA-N 264.409 4.659 30 10 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CJEE CC#CCCC[C@H](C[C@H]1CCCCC12CC2)NCCC 2279520502 HZBAZXSWVVSHNE-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CC[C@@H](C(F)(F)F)C2)CCC1 2279667197 BLAYMUYUIQVRDC-MCIONIFRSA-N 289.385 4.690 30 10 CJEE Cc1cc(NCc2cccc(F)c2Cl)cc(C)c1C#N 2280553871 AELRUACJYVFTBZ-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CC(C)(C)C#CC=CC[C@H](C(=O)O)C1CCCCCC1 2284169912 FIPNLMCVRMSPGJ-INIZCTEOSA-N 276.420 4.653 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@H]1c1ccccc1 2287409718 YECKLPWJCXSGKZ-OTWHNJEPSA-N 271.448 4.905 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1CC(CC(C)(C)C)C1 2289974977 GMWICJPRLKFOPU-JCYILVPMSA-N 277.496 4.867 30 10 CJEE CN(C[C@H](CS)CC1CC1)[C@@H]1CC(C)(C)CCC1(C)C 2290310761 JQALANHHOAZUPU-HZPDHXFCSA-N 297.552 4.869 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCC[C@@H](C)C1 2290913547 ALDHDGCNPZBWCX-WBVHZDCISA-N 284.440 4.787 30 10 CJEE CCCCCCCCCC[C@@H](CC1CC1)OCC(=O)O 2291711964 RIQAFZHAIQQLKF-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCC[C@@]1(OCCN)C[C@@H]2C[C@@H]2C1 2293504962 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CCCCCCCCC[C@](C)(O)[C@H](NC)C(C)=C(C)C 2295684393 LQENXLYBOPXDMM-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1sccc1Cl 2301067079 WKZGARABTNSJPL-CYBMUJFWSA-N 269.841 4.821 30 10 CJEE C#CCCCCCCN[C@H](C)c1csc(Cl)c1 2301103521 YPFNQPGLRUITKS-GFCCVEGCSA-N 269.841 4.636 30 10 CJEE C=C(C)CC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2302289814 LKNKUOJXAQVECH-CQSZACIVSA-N 273.203 4.643 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccsc1 2304022567 SPJGFDDCYCAMJL-HUUCEWRRSA-N 251.439 4.781 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1C[C@H]1C1CCCC1 2311586130 DQSGUNDXMDNNCX-ZACQAIPSSA-N 251.458 4.891 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCC[C@H]2C(F)F)C1 2313059884 RHGQQWZGHJZTTC-COMQUAJESA-N 255.352 4.778 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(Cl)cc1 2315465704 OTJBQLOJBFLRMR-BJJXKVORSA-N 263.812 4.735 30 10 CJEE CCCCCCCC[C@](C)(O)C#Cc1cccs1 2316458467 LPGHVWPYNYRCAR-INIZCTEOSA-N 264.434 4.601 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C(C)(C)C)s1 2316713903 BIJQKNKMWUHGNQ-HNNXBMFYSA-N 263.450 4.814 30 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C#CCCCCC[C@H](NCC)[C@H]1CC[C@H]1C(C)(C)C 2343073193 QPRDWDHEKQNFIZ-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ncc(CC)s1 2344337793 UOIVIXPVPSNXJR-ZBFHGGJFSA-N 280.481 4.739 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1cccc(-c2ccccc2)c1 2344342350 JQKBOQJSLCNLGU-KBXCAEBGSA-N 251.373 4.566 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccccc1CCC 2344370785 FDTDZWABANGRLY-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC2(C1)CC21CC1)NC 2344386738 YPEGSMSYNRTCTM-BNQMIIOLSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cccc(Cl)c1C(F)(F)F 2344394500 CZPCXNOAFXWLAW-RNCFNFMXSA-N 291.744 4.832 30 10 CJEE C=CCCCCCCCS[C@@]1(C(=O)O)CCC[C@H]1C 2352151046 XVNJRZKTWOEIQF-ZBFHGGJFSA-N 284.465 4.890 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccc(N)cc1)C(=O)O 2353861559 HWMTWMCESUFLOK-MRXNPFEDSA-N 295.448 4.565 30 10 CJEE CCCCCCCCCOC[C@]12CCC[C@H](CNC1)C2 2357620972 FCOJFKMUKJFPLC-ROUUACIJSA-N 281.484 4.533 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@H]1C[C@@H]2CCO[C@H]12 2358108134 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LTUWZNAVTOFLFK-MRXNPFEDSA-N 286.440 4.934 30 10 CJEE Cc1ccc(C)c(SC[C@@H](CS)C(C)(C)C)c1 94588761 MYKOQHHIYHQENT-CYBMUJFWSA-N 268.491 4.988 30 10 CJEE Fc1ccc(F)c(SCC2(CS)CCCC2)c1 94589294 DVPVVIJJBSONHS-UHFFFAOYSA-N 274.401 4.547 30 10 CJEE C=C(CC)C[C@H](Cc1c(Cl)cccc1Cl)NCC 97208587 FNTNRWAYIKRLRH-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE C=C(CC)C[C@H](NCC)C1CCC(C(C)C)CC1 97208882 DKOQUSAPJNPGMY-JCYILVPMSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCN[C@@H]1CCc2ccccc2C1 105839685 HCJSBMRCKUFXGD-LJQANCHMSA-N 273.464 4.884 30 10 CJEE Cc1cc2oc(C#N)c(CC(C)C)c2c(C)c1Cl 110162442 DLVZCWOVHNAKPJ-UHFFFAOYSA-N 261.752 4.773 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CCN(C)C 110166915 KBYYRIHWIHMEOT-GOSISDBHSA-N 284.532 4.837 30 10 CJEE Cc1ccc(C#N)c(Oc2cc(Cl)ccc2Cl)c1 110260446 LZSHYISTZGTVHC-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCOc1ccc2c(c1)OC(C)(C)CC2=O 110304014 BVMLTQPEOVMZGT-UHFFFAOYSA-N 290.403 4.780 30 10 CJEE CCCC[C@H](CC)COc1ccc(/C(CC)=N\O)cc1 110323331 PZHUJIXXSRGRRY-DNZUHHBVSA-N 277.408 4.870 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@H](C(C)(C)C)CCC1=O 110325799 HGXPQYPXGPDEFT-HUUCEWRRSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccncc1)NCC 112897244 DHRUTLYLFYVRCB-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1C(C)C 114348864 VHAWQUBXSOYDSV-RBUKOAKNSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCCCCC(=O)c1nccn1C 122234641 KNPAPSTVWXVORD-UHFFFAOYSA-N 278.440 4.914 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCCC[C@@H]1CC 124715360 YYYCFTBPRJKJOB-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CC1(C)CCC(OC[C@H](CS)C(C)(C)C)CC1 125886997 NJANQCJFBRSOQI-GFCCVEGCSA-N 258.471 4.564 30 10 CJEE N#Cc1cc(F)c(Nc2cccc3ccccc23)c(F)c1 127416692 LVHYOPCHRZMVCY-UHFFFAOYSA-N 280.277 4.733 30 10 CJEE CCCCCCCCCCNc1nc2cc(N)ccc2o1 129225629 RLGZVHFABBYYQN-UHFFFAOYSA-N 289.423 4.963 30 10 CJEE CCCCCCCC(=O)[C@H]1CC2(CCCC2)CCC1=O 129707698 RXYLHRNKUSGQMV-OAHLLOKOSA-N 278.436 4.846 30 10 CJEE C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)s1 134650277 ZNANYZBFPRLBNI-QWRGUYRKSA-N 290.819 4.685 30 10 CJEE CCSc1cccc(N(CC(C)C)CC(C)C)c1C#N 136631734 VPFMOJBIPDIZDI-UHFFFAOYSA-N 290.476 4.789 30 10 CJEE CCCCCCC[C@H](CCCOCC)NCCC 139674678 VGFKJSMTEOJGQM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](Cc1ccc(F)c(F)c1)NCC 147358995 CPIYJKXNUDHXJM-OAHLLOKOSA-N 283.406 4.846 30 10 CJEE CCCCCCCCC[C@@H](NN)c1csc(C)c1 157509754 OMNUSQGMIFVXRV-OAHLLOKOSA-N 268.470 4.702 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 159158314 WJGMKSJBDBIZJF-OAHLLOKOSA-N 292.423 4.914 30 10 CJEE C=C(C)CCC[C@H](CNC(C)(C)C)c1ccccc1 164927969 UGRKQRJRMLNPNG-QGZVFWFLSA-N 259.437 4.905 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cccc(Cl)c1F 167119947 DWBWYPOSLOFEHW-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCC[C@@H]1N 226486533 QYTUEWWFBWGXFT-IRXDYDNUSA-N 281.484 4.994 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)C1 229224132 VHMXXWVCVLMZQH-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE C=CCCCCC[C@H]1CCCC[C@H]1CNC(C)C 232645810 KUUXKXHHZYRCOT-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H]1C(=O)Nc2c(C)cc(C)cc21 232928283 CCLLSEVATJKJEU-AWEZNQCLSA-N 259.393 4.700 30 10 CJEE CCCCCCCCC[C@@H](O)c1sccc1C(=O)O 232952581 VDHSOBHBOPBYIK-CYBMUJFWSA-N 284.421 4.620 30 10 CJEE CCCCCCCCCc1nc(C)n(CC(C)C)c1N 232959094 MKOUFWSNRHGTIN-UHFFFAOYSA-N 279.472 4.723 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc3ccccc23)CC1 235699135 UYXRWEBTRHVKLV-CYBMUJFWSA-N 250.341 4.769 30 10 CJEE Cc1cccc2cc(C(=O)C=C3CCCCC3)oc12 235923054 MYFLPQSIMDWTSV-UHFFFAOYSA-N 254.329 4.814 30 10 CJEE C[C@@H]1C[C@H](OC[C@H](CS)C(C)(C)C)CC(C)(C)C1 251723903 CCTIQNWLDLNOQV-MCIONIFRSA-N 272.498 4.810 30 10 CJEE COc1ccc(N=C/C=C(/Cl)c2ccc(C)cc2)cc1 254306093 CBODCKNIJPXFPW-QEBMIZGZSA-N 285.774 4.986 30 10 CJEE CC(C)(C#N)c1cc2cc(C(F)(F)F)ccc2s1 260187548 XVDIWGBMOACRJR-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE CC(C)(C)C#CCC(=O)c1cccc(Cl)c1Cl 304125478 IUSAGNKOCOPJTG-UHFFFAOYSA-N 269.171 4.616 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)CSC 305930708 JKULCCILAUQDGU-CABCVRRESA-N 259.503 4.714 30 10 CJEE C=C(C)CC[C@H](NC)c1cccc(OCc2ccccc2)c1 309802157 WYAJQINUENJWLP-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C=CCCCCN[C@H](C)c1oc2ccccc2c1C 311635120 PWSGYBQCLKFVCF-CQSZACIVSA-N 257.377 4.748 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)c2sccc2F)cc1 313186396 WKNYAVFUKXVPJV-CYBMUJFWSA-N 287.359 4.501 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CCCC(F)(F)C2)C1 316998335 NYPKGSRIFSTMRA-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cccc3ccccc23)C1 317703708 KWLZWJSMQKWQIG-DNVCBOLYSA-N 266.384 4.778 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CCC[C@@H](C)C1 319614541 DTMUAPRZBJLDJO-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE N#C[C@@]1(Cc2csc(Cl)c2)CCCc2ccccc21 381063097 SGFKAENQFLRQTA-INIZCTEOSA-N 287.815 4.742 30 10 CJEE C=CCCCNc1cc(F)c(Br)c(Cl)c1 382363582 RWXZIMRTTKWGGK-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE C=CC(C)(C)CN[C@H]1CCCC[C@@H]1c1ccccc1 384815207 ATMAZSZTQCCYLR-SJORKVTESA-N 257.421 4.515 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2sccc2Cl)C1 394086610 NFFVJJBVTGYALL-DDTOSNHZSA-N 283.824 4.545 30 10 CJEE Cc1c(Cl)ccc(C(=O)C=C2CCCCC2)c1F 394164762 RUSSXDUTBUUKGR-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cccc(Cl)c1 398098014 GJAWGEMOSBURAV-STQMWFEESA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)C[C@@H](C)O 398598078 SVVIMZTUYVBMGU-ZWKOTPCHSA-N 285.516 4.904 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)C[C@@H]1CC 399658937 KOJFCDGKCGIOLO-CABCVRRESA-N 271.514 4.623 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@H]1NC 403486106 ZSDHGRAYGDPPRB-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=C(C)CCSCc1cc(-c2ccc(OC)cc2)no1 586734525 LADPMKLDFSTGGI-UHFFFAOYSA-N 289.400 4.550 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(F)cc1C 686692016 YAZQWBDRSKUWJN-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(Br)c(C#N)c1 690181547 VLYUBKWJLWVIEU-LLVKDONJSA-N 295.224 4.701 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)c1ccsc1 692274326 ZXAAPHWVHYFHBT-VNQPRFMTSA-N 263.450 4.924 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC(C)(C)CC(F)F)C1 694122253 RXBXSSZYUYNFDO-WFASDCNBSA-N 260.368 4.843 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H]1CCC1(C)C 694299187 QXNCLHOWCQCQJJ-DLBZAZTESA-N 282.516 4.575 30 10 CJEE Cc1ccccc1NC1(C#N)CCC(C2CCC2)CC1 695936050 GIMPEBRQOONYBA-UHFFFAOYSA-N 268.404 4.660 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCC[C@@H]1C1CC1 695969546 RFEVEPXZXRUBFG-HZPDHXFCSA-N 274.795 4.614 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1C1CC1 699030771 PERWKLCOIUCAGL-ZACQAIPSSA-N 251.458 4.761 30 10 CJEE CCC(F)(F)C(C)(C)CNc1cccc(Cl)c1C#N 699799771 CJXFTPASDJBDBG-UHFFFAOYSA-N 286.753 4.695 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCSC1)NCC 708752285 JNNGMOGGJWZMDI-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccc(C)c(F)c1 708917682 UPFGXJIYVIYQLI-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@H]2CN[C@@H](C2)C1 709360830 BLERSRUQIAHZTR-YESZJQIVSA-N 269.448 4.997 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716637413 LYCRMAGLARKNAK-VIQHNZTISA-N 251.458 4.617 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NN 716859401 JNBXEGOBZDHJQF-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE C#CCCC[C@H](NCCC)c1cscc1C(F)F 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MSNKIEOMYXARRT-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)C1=CC[C@@H](C(C)C)CC1 2125139107 WHCRXGQPFJBHQW-LZLYRXPVSA-N 263.469 4.949 30 10 CJEE CC[C@@H]1CC=C(C(=O)C[C@H](C)c2ccccc2)CC1 2125217905 KDYXIVINWOOUGL-LSDHHAIUSA-N 256.389 4.886 30 10 CJEE C=C1CC([C@@H](C[C@H]2CCC=CCCC2)NCCC)C1 2125666651 PDQSRDHQYICAED-FUHWJXTLSA-N 261.453 4.847 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2ccc(SC)cc2)C1 2125727024 NVAZZKUKGHIJKO-QGZVFWFLSA-N 275.461 4.806 30 10 CJEE C=C1CC(C[C@@H](NCC)C23CCC(CC2)C3(C)C)C1 2125738378 LPXLOTAGGIPCNL-UPTPFMHGSA-N 261.453 4.537 30 10 CJEE C=C1CC(C[C@H](NCC)c2c(F)ccc(Cl)c2F)C1 2125744081 IGTXXGVOFIOFJF-ZDUSSCGKSA-N 285.765 4.625 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccccc1CC(C)C 2126109666 JQUFCRXHVGGTBN-QGZVFWFLSA-N 263.400 4.799 30 10 CJEE C=CCSc1ccccc1N[C@H](C)C1CC2(CC2)C1 2127918363 WFQBTTOIKXZRGA-CYBMUJFWSA-N 273.445 4.955 30 10 CJEE Cc1cc(C)nc(Sc2cc(Cl)c(F)cc2C#N)c1 2127970005 YMARJCSQQFCZTA-UHFFFAOYSA-N 292.766 4.514 30 10 CJEE CCCCCCCC[C@H]1COC(C)(C)C[C@H]1NCC 2129654721 VPCWDTGWOZEWCN-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE COC[C@@H](C)CCC1(C#N)CC(C)(C)CC(C)(C)C1 2130985937 AOLAWIFFZUNRNS-AWEZNQCLSA-N 265.441 4.795 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(CC(C)C)CC1 2133371043 QWSZDHDZHISZPL-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 2135389491 GPMQYJQYBMVOAR-XOKHGSTOSA-N 260.421 4.764 30 10 CJEE CCCCCCCCCNCc1cccc(F)c1C 2138083251 OICQKVWQMIMJFH-UHFFFAOYSA-N 265.416 4.974 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1CCCC[C@@H]1CC 2138985517 FYWYKUTUJRHYHY-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC 2138994370 PXHUGULWNZFBRS-KSZLIROESA-N 263.469 4.622 30 10 CJEE CCCCCC#CC[C@]1(N)CCC2(CCCCC2)C1 2139008223 JYYIOTCGXMKMNU-SFHVURJKSA-N 261.453 4.792 30 10 CJEE CC#CCCCN[C@@H]1CCCC[C@H]1C1CCCCC1 2139060628 WAUHQAFBELXTBX-ZWKOTPCHSA-N 261.453 4.519 30 10 CJEE CC(C)C1(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CC1 2139129064 YPEOQPMGSLBAFX-CYBMUJFWSA-N 296.197 4.606 30 10 CJEE CCCCCC#CC[C@H](O)Cc1cc(Cl)cc(Cl)c1 2139133450 XBVSXZHYUYNFKN-INIZCTEOSA-N 299.241 4.871 30 10 CJEE CCCCCCCCCC(=O)c1ncn2ccsc12 2139653919 MDUTYFQEIPULFP-UHFFFAOYSA-N 278.421 4.719 30 10 CJEE C=C[C@@H](C1CC1)N(C)CC1CC(C)(C)CC(C)(C)C1 2139832870 BJXIQXJJQBKKLY-INIZCTEOSA-N 263.469 4.735 30 10 CJEE C=CCCCCCC[C@H](O)[C@H]1Cc2ccccc2S1 2141920688 WXAITPUAEZKPGU-DOTOQJQBSA-N 276.445 4.591 30 10 CJEE C=CCCCCCC[C@@H](CC1CC(C(F)F)C1)NC 2141924439 UDJZQQMAKDQXIQ-NRXISQOPSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CCO[C@@H](C)C1 2142438481 CGRRWQPBPXUQNB-HOTGVXAUSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@](C)(CC)OC 2142440416 GXJGCUBHCKXNJV-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C[C@H]1C(F)F 2142441930 PPJDIPMKWFPVJN-ZNMIVQPWSA-N 273.411 4.912 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)C(C(C)C)C(C)C)CC1 2143626849 XOIOOOPAZHSKOH-IIIMJFFVSA-N 279.468 4.776 30 10 CJEE CCCCCCCCCC(=O)c1cn(C)nc1C(C)C 2143858799 BWXDHHDILJQRQL-UHFFFAOYSA-N 278.440 4.867 30 10 CJEE CCCCCCCCC[C@H](O)CCC1(N)CCCCC1 2143899365 ZNVBYQOYHSZTTO-KRWDZBQOSA-N 283.500 4.930 30 10 CJEE N#Cc1cc(-c2ccc(Cl)c(C(F)(F)F)c2)ccc1O 2145862120 WHBVAPWTUVDRAF-UHFFFAOYSA-N 297.663 4.603 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CCC(C)(C)C1 2148585428 CNUCIGFYQVBEME-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)c1ccccc1Cl 2148588979 QCEURTNXOORVAM-DLBZAZTESA-N 297.870 4.712 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)CCCC1CC1 2148590898 NSCNQTPBLNWBJY-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CC[C@H]1CCC[C@](CC#CC2CCCCC2)(CNC)C1 2149854507 FSBLYLPCTSBOFZ-PKOBYXMFSA-N 275.480 4.766 30 10 CJEE CO[C@@H](CC1(C#N)C[C@@H]2CC[C@H](C1)S2)C1CCCCC1 2150271521 FDGVQJYJLLXGQR-TVXGVJEUSA-N 293.476 4.540 30 10 CJEE C#CCCCCC[C@@H](CC(C)(C)C(F)(F)F)NCCC 2150420016 OBCCBPRSXPHKEM-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CN(c1ccc(Cl)cc1C#N)C1C[C@@H]2CCCC[C@H]2C1 2151534451 QFDXYJMJYUYZNX-STQMWFEESA-N 288.822 4.617 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnsc1COC 2151648480 PUKOFSGXBLBIDJ-OAHLLOKOSA-N 298.496 4.691 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CC[C@@H]2CCCC[C@@H]21 2151703762 USFWFHINUOAUGV-BQFCYCMXSA-N 280.452 4.637 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@]2(C1)CC2(F)F 2156176181 WMWNBOUEGYJBIJ-OCCSQVGLSA-N 296.748 4.592 30 10 CJEE CN(C[C@@H]1CC12CCCC2)CC1(CS)CCCCCC1 2156749697 CMGGISYFHPKVFX-INIZCTEOSA-N 295.536 4.769 30 10 CJEE CC1(C)CCC[C@H](CNc2cc(C#N)cc(Cl)n2)CC1 2157112716 JHEYMSLSCDJSQQ-LBPRGKRZSA-N 291.826 4.625 30 10 CJEE C=C([C@@H](NCCC)C1CC2(C1)CC(C)(C)C2)C(F)(F)F 2157195537 BSYUGECVXNNNEW-CYBMUJFWSA-N 289.385 4.690 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H](C)C1(C)CCCCC1 2157561204 XSIXNMHJAOKJQD-HNNXBMFYSA-N 270.420 4.662 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@H](OCC)C1CCCCC1 2158320352 LBXQHUXJZBJOOL-CGTJXYLNSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCC(=O)[C@]1(O)CCC2(CCC2)C1 2161860923 KNDLCGQLCSTVJV-SFHVURJKSA-N 280.452 4.782 30 10 CJEE CCCCCCCCC[C@H](N)[C@@]1(O)CC[C@@H]1CC(C)C 2161941984 XKRKGJMJOSMPQW-FGTMMUONSA-N 283.500 4.642 30 10 CJEE CC[C@]1(C)CCSC(=NC2CCC3(CCCC3)CC2)N1 2164049263 GBLDTHUSAHXZRU-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE CC[C@@H]1NC(=NC2CCC3(CCCCC3)CC2)S[C@H]1C 2164050492 MSHXEFVILGSHFF-ZFWWWQNUSA-N 294.508 4.739 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCC12CCC2 2166798554 SHABGHFOTQWBPF-ROUUACIJSA-N 275.436 4.572 30 10 CJEE C#CC(C)(C)C[C@H](NCC)C1(C(F)(F)F)CCCCC1 2167610000 SXELLECHIPAPIM-ZDUSSCGKSA-N 289.385 4.527 30 10 CJEE C=CC(C)(C)CO[C@@H]1C[C@@](C)(CC)CC[C@H]1NCCC 2171364164 LEIGOCYEEHPDQS-NUJGCVRESA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C(C)(F)F)cc1 2173680740 CKXFVKCQTVJFOR-HNNXBMFYSA-N 284.394 4.663 30 10 CJEE N#Cc1cc(F)c(N[C@H]2CCCC[C@H]2C2CC2)cc1Cl 2177381384 MKYZHGOHKYPHFK-WFASDCNBSA-N 292.785 4.731 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@@H]1CCc2ccccc2C1 2178379203 UTVGTTFIOCDBMA-APWZRJJASA-N 272.432 4.967 30 10 CJEE C#CC(CC)(CC)NCc1cc(-c2ccccc2)cs1 2182580338 REHZVWTZRYKQMD-UHFFFAOYSA-N 283.440 4.697 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(C(C)(F)F)n1 2185930756 LVPYKLHVXUESAZ-HNNXBMFYSA-N 284.394 4.728 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C1(CC2CCC2)CC1 2189941705 YAJLZTZUOCPRNI-GOSISDBHSA-N 273.464 4.519 30 10 CJEE N#C[C@@]1(C[C@@H]2CC23CCCC3)CCOC12CCCCC2 2190619895 XAQJXMFKJWHLKU-RDJZCZTQSA-N 273.420 4.590 30 10 CJEE N#C[C@@]1([C@H]2C=CCCCCC2)CCOC12CCCCC2 2190621041 BERQYXXNVCNDCI-DLBZAZTESA-N 273.420 4.756 30 10 CJEE CCCC1CCC(C[C@@H](O)c2cccc(C#N)c2)CC1 2192825905 BSEXSVSCWYSETI-JTTJXQCZSA-N 271.404 4.588 30 10 CJEE CCc1cccnc1CC1(C#N)CCC(C(C)C)CC1 2193310205 RCTAGOPTBIDFQP-UHFFFAOYSA-N 270.420 4.543 30 10 CJEE C=CCN(CC1(c2ccccc2)CCCC1)C(C)(C)C 2195930622 LJNRROBMWJIPAU-UHFFFAOYSA-N 271.448 4.785 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@H]1CCCCCC1(F)F 2196174178 LDLORFHMLUZMRF-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H](C)C1CCC1 2196576393 YFMYOYKUFDALIB-RDJZCZTQSA-N 282.468 4.883 30 10 CJEE CCCCCCCCN(C)Cc1ccn([C@@H](C)CC)n1 2196713841 DKGKOKFLGQWSNC-INIZCTEOSA-N 279.472 4.646 30 10 CJEE CCCCCCCN(C)C[C@@H](NC)c1cccc(Cl)c1 2196732990 BQOUNLPCWVDCAG-QGZVFWFLSA-N 296.886 4.503 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1CCC(C)(C)C1 2197141983 LEUUREPXAIFAIN-MSOLQXFVSA-N 271.448 4.894 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H]1CCCCC1(F)F 2197148446 PFBRAVQNXSTBLE-CVEARBPZSA-N 279.374 4.503 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1cccc2ccccc12 2197153093 XGKFQRDKECLWAX-IBGZPJMESA-N 259.352 4.553 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1ccc(C)cc1 2197153520 ZCBYHPLEFQSRTK-LJQANCHMSA-N 265.400 4.749 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@H]1C[C@@H]1C1CCCCCC1 2200152700 ACABXDHERXEQSL-FGTMMUONSA-N 275.480 4.621 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H]2C[C@@H]2C2CCCCCC2)C1 2200629207 VADDDDCXMFAXMM-BHIYHBOVSA-N 275.480 4.881 30 10 CJEE N#Cc1ccc(O[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 2201104446 IGOCWLIMZYMVAW-IIAWOOMASA-N 289.806 4.949 30 10 CJEE CCCCC#CC[C@@H](NCC)C1(C(F)(F)F)CCCC1 2203787115 ISAKMHDMUYICCX-CQSZACIVSA-N 289.385 4.671 30 10 CJEE C#C[C@H](NC1CC(C)(C)CC(C)(C)C1)C1CCCCC1 2203799855 CZMOJWVTQXEMDC-KRWDZBQOSA-N 275.480 4.763 30 10 CJEE SC[C@H](COCc1cccc2ccccc12)C1CCC1 2205298828 SQHSRMPLJNJIOT-KRWDZBQOSA-N 286.440 4.703 30 10 CJEE CCCCCCCCCC[C@H](O)CC1CCC(N)CC1 2205421167 RBXZGSRYJVHILY-ABHNRTSZSA-N 283.500 4.786 30 10 CJEE N#Cc1ccccc1NCc1ccc(-c2cccs2)s1 2205879233 MSOVFLPYZKYTBP-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1coc(CC)n1 2206890791 HZERYLNOENQQTE-OAHLLOKOSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCOc1cccc(C)c1CNCC 2206900225 RGQWHCZSRYSJQC-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCO[C@@H](CC)C1 2207382703 VFJINZJSGJCOBU-ROUUACIJSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC(=O)CC[C@H]1CC[C@H](N)C1 2207393376 VKGMBJAGYVFMDI-SJORKVTESA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCNC[C@H]1C[C@H](OC)C1(C)C 2207409618 NQVUVTUEAJTRGV-SJORKVTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1CCOC(C)(C)C1 2207426731 FYLVXAPDWSHFRT-IAGOWNOFSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1sccc1C 2207428575 YHRDCPXRPIPGGA-HZPDHXFCSA-N 295.492 4.724 30 10 CJEE C=CCCCCCCCC[C@](C)(O)c1cncc(F)c1 2207432690 RHTNFWMEOWHVFT-KRWDZBQOSA-N 279.399 4.735 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2207433863 BKBHCZHSFNWURY-HVMFNXBNSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1cccc(SC)c1 2207444166 HHEMXZWAVCRPID-INIZCTEOSA-N 294.460 4.703 30 10 CJEE CCCCCCCC[C@H](CN)N(C)C[C@H](C)C(C)(C)C 2207446383 DRCVQHFRQWNLIG-DLBZAZTESA-N 284.532 4.678 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H](O)CCCCCCCC 2207448201 ZVTIQZDJJLYNQO-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=C1CC(Cc2sc(C)c(Br)c2C)C1 2209544454 VRFBGCMLYIUVMB-UHFFFAOYSA-N 271.223 4.636 30 10 CJEE C=CCCCCCCC[C@@](C)(N)COCc1ccccc1 2209703492 SHJCISXSVMHTJL-LJQANCHMSA-N 289.463 4.837 30 10 CJEE CCC(C)(C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2218650695 RRFSHJFXFUFJSX-NSHDSACASA-N 284.186 4.606 30 10 CJEE CCCC[C@@](C#N)(CC)c1nc(C(F)(F)F)cs1 2219291160 LQJICCZVJXHSKE-LLVKDONJSA-N 276.327 4.523 30 10 CJEE C=CCCCCCCC[C@@](O)(C(F)F)C1CCC1 2220097756 PYHQODNQSVKQRR-HNNXBMFYSA-N 260.368 4.699 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1CC[C@H]1C 2220526495 JYFZDEGKDBPTTP-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN(C)C[C@H](F)C1CCC1 2220897511 UZTGUFOOJAVDEP-INIZCTEOSA-N 255.421 4.583 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@@H]1CCC[C@@H](C)C1 2223538827 FWNMJAFUJNVXCI-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(C)(C)C 2225313387 HPKUNEGLYQEREZ-LTIDMASMSA-N 263.469 4.783 30 10 CJEE CC(F)(F)c1csc([C@]2(C#N)CCCCC2(C)C)n1 2226438939 OBNLEYQXPHTBPK-CQSZACIVSA-N 284.375 4.616 30 10 CJEE C=CCCCCCCC[C@@](C)(N)Cc1ccccc1 2227276633 STJOWUWXBOHEFG-GOSISDBHSA-N 259.437 4.863 30 10 CJEE C=CCCCCCCCNC[C@H]1CCCCC1(F)F 2227288737 WJMVZQPDEQMADV-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCCOc1cc(F)cc(C=O)c1 2227288799 QRXZVUMGGQBQTG-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2227501402 NBQFAEJSSQUKOJ-ONGXEEELSA-N 298.213 4.852 30 10 CJEE C=CCCCCCNCC1(C)CC2(CC(F)(F)C2)C1 2230681607 SQFUAIATBYELBP-UHFFFAOYSA-N 271.395 4.538 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@@H](CC)NCCC 2230979077 TVLQUOGUXYVXNO-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](C)NCC(C)(C)CCOC 2231928224 JIJBBXWYVBAPRL-INIZCTEOSA-N 271.489 4.778 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)C[C@@]1(C)C(F)(F)F 2235518813 KGGOHFUEQVRQNU-KGLIPLIRSA-N 292.341 4.946 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CCO[C@H](C(C)C)C1 2235768516 HYPQTLZVTPYZOL-ROUUACIJSA-N 281.484 4.648 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC12CC(F)(F)C2 2235771224 QHPDCLXQMCLHIV-HNNXBMFYSA-N 285.422 4.880 30 10 CJEE C=CCC(C)(C)COCc1cc(CN[C@@H](C)CC)cs1 2238946968 GNSBUXBQZSSVFL-AWEZNQCLSA-N 295.492 4.755 30 10 CJEE CCCCCCCCCOC[C@@H]1C[C@H]1CNC(C)(C)C 2239461703 GCUVRDUSEVZSJN-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](CC)(CCCCC)C(=O)O 2239496486 AUJSWPGXPYCPDR-RDJZCZTQSA-N 284.440 4.952 30 10 CJEE CCCCCCCCCCCCOCC1(C(N)=S)CC1 2239555272 UNYUVIXUBDPHDJ-UHFFFAOYSA-N 299.524 4.990 30 10 CJEE CCCCCCCC[C@]1(CNC2CCC2)C[C@@H](C)CO1 2240089544 CBUGPCKAHIUCHK-SJLPKXTDSA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)CCO[C@H](C)C1 2240180921 LVWXVGRZPXAZND-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@]1(CN[C@H](C)CC)CCCOC1 2240204448 TVOHUGZQBMLNRB-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C[C@H](CCS)CCN(C)Cc1ccc(C2CCC2)cc1 2240269652 WEJIADKKUUPLHD-HNNXBMFYSA-N 291.504 4.732 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@]1(C#N)CCCC12CC2 2240576395 YXWKSGMYJOWGDE-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccnc(C(F)F)c1 2240611673 VSUAXRRVDCQHGK-MRXNPFEDSA-N 284.394 4.944 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncccc1C1CC1 2240616005 LKKGDKFVMVHPQW-SFHVURJKSA-N 274.452 4.884 30 10 CJEE CCCCCCCC[C@](C)(OCC1(C)CCC1)C(=O)O 2240617540 GQLGHMYAUVBWRC-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CC=CCCC[C@@H](NC)[C@](C)(O)CCCCCCCC 2240653377 FWMXMVSTOIUEAF-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CC1CC(CS)(CSc2ccc(Cl)cc2)C1 2242876185 GKWPTXDBEHLFHQ-UHFFFAOYSA-N 272.866 4.778 30 10 CJEE CCC[C@@H](CS)CSC[C@@H](CC(C)(C)C)OC 2250119959 WTDZSCVURVFGGR-QWHCGFSZSA-N 278.527 4.517 30 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261.453 4.977 30 10 CJEE CCCCCCCCCC1(CN)CC2(CC(F)C2)C1 2272106970 XIBYSKSQRXFZOM-UHFFFAOYSA-N 269.448 4.984 30 10 CJEE C=C[C@@H](C)CCN[C@@H]1CCC(C)(C)c2ccccc21 2273024856 FNBINRZPPAXTMC-RHSMWYFYSA-N 257.421 4.601 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C(C)(C)C(C)C 2274121137 LIENEJRVHAWSLF-KRWDZBQOSA-N 263.469 4.621 30 10 CJEE C[C@@](O)(CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274165796 BITDLABDYBYSJR-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)C1CC(CC(C)(C)C)C1 2274214008 RYIIABIMZFZIQB-OCUYMYNFSA-N 265.441 4.530 30 10 CJEE C=C(C)CC[C@@H](CCCCCCCC)OCCCN 2276206365 ARPOOPCDMWIIAO-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=C(C)CCC1(OCCN)CCCCCCCCC1 2276233593 DOWHVKXLHXJCPF-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C=CCCCC[C@](CCC)(OCCCN)C(C)(C)C 2276504485 GJFPWKPZOGFWOG-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ccns1 2278233261 HGRRXPSLCXGFAA-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@](C)(CC)O1 2278237664 QKUWGKIDEBLRIR-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COCC1(C)C 2278238372 WOXINOARBPKWTN-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCC[C@@H](CC)CSCCCC[C@](C)(C#N)NC 2278319453 AYYMQJHUIGWRKV-HZPDHXFCSA-N 284.513 4.608 30 10 CJEE CCCCCCSC[C@](C#N)(NCCC)C(C)(C)C 2278325161 ZVHVQMXHEKNOBE-INIZCTEOSA-N 284.513 4.608 30 10 CJEE Cc1cc(NCC(C)(C)CC(F)(F)F)cc(C)c1C#N 2280575358 KYSAMESDVZKYBA-UHFFFAOYSA-N 284.325 4.566 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccccc1OC(F)F 2282925532 CZFCABWACZZYRK-BLLLJJGKSA-N 279.330 4.551 30 10 CJEE CCC1CCC([C@](C)(O)CC=CC#CC(C)(C)C)CC1 2284080832 RUYASPSCGLUCKD-FAFZWHIHSA-N 276.464 4.950 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccn(CCCC)n1 2285064984 QVRBKQCWICJMDO-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE C#CCCCOc1cc(C)c(Cl)cc1[C@H](C)NCCC 2286441837 FFXLBHPXDWTBFD-AWEZNQCLSA-N 293.838 4.501 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](C)C1(C)C 2286913499 ZKOMBBLQBALZED-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc2ncccc2c1 2287412377 CVHBTBOYQQTQSU-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@@H]1CCS[C@H](C)C(C)C 2288858794 QLMKSACSEATZIR-ZACQAIPSSA-N 296.524 4.606 30 10 CJEE CC(C)(C)CC1CC(C(=O)CC#CC2CCCCC2)C1 2289941135 HKHRGJWHIAFRGI-UHFFFAOYSA-N 274.448 4.992 30 10 CJEE C#CCCCCCC(=O)Cc1cccc(C(C)(C)C)c1 2290206540 NJYTTYNXBGQVPD-UHFFFAOYSA-N 270.416 4.679 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1cccc(C(C)(C)C)c1)NC 2290290062 AVAKBACBNUETGK-MAUKXSAKSA-N 273.464 4.717 30 10 CJEE C=CCCC[C@@]1(OCC(=O)O)CCC[C@H](CCC)CC1 2290649325 WCRPRDUEJWLDOQ-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)c1csc(C)c1 2290834951 RARWWVDAKWNKLY-HNNXBMFYSA-N 298.448 4.949 30 10 CJEE C=C(C)CCCC[C@@H](CCCCCCC)OCC(=O)O 2292712226 KKZGEJOHIQXZQA-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@H]1CC1(C)C 2293023335 SKLGRHFRJGHQPB-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CC(=O)C=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2293223748 KVCYUKZEPXMSBM-UHFFFAOYSA-N 281.138 4.856 30 10 CJEE CCCCCCC[C@](C)(CC[C@H]1CC1(F)F)OCCN 2293553768 QIKDUNVZECXMJI-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1ccc(C)cc1 2293829224 SZYKMFAWCNYIJJ-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=CCC[C@H](C)[C@@](CC)(OCCN)c1ccc(Cl)cc1 2293922203 RNKLDRVRTNDNKP-WMLDXEAASA-N 295.854 4.523 30 10 CJEE C=C(C)CC[C@H](NC)[C@](C)(O)CCCCCCCCC 2295684467 MKMMKGQJNGAKIF-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1(C#N)CCSCC1 2295692228 UJURDMHHLQVRMS-MRXNPFEDSA-N 297.508 4.915 30 10 CJEE CCCCCCSC[C@](C#N)(C[C@H](C)CC)NC1CC1 2295711570 PIHQOLZFRIOIJR-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE CC(C)[C@H](CS)COCc1cccc(Cl)c1Cl 2301346115 NIKRHAXGOPJLSR-NSHDSACASA-N 293.259 4.712 30 10 CJEE C=CCCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2307526388 IXHNSTBZXVBXNL-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE C=CC[C@H](C)S[C@H]1CCC(C)(C)[C@H](NCCC)C1 2313641922 NGAVEZALGRSCGK-SOUVJXGZSA-N 269.498 4.631 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cc2sccc2s1 2315438482 OBHNRBVLCVKXCZ-YPMHNXCESA-N 277.458 4.797 30 10 CJEE CN(CC1(CS)CCCCC1)c1ccc(Cl)cc1 2317215290 VTLANDLUDXLJRE-UHFFFAOYSA-N 283.868 4.657 30 10 CJEE CCCCCCCC[C@](C)(O)C#C[C@@H]1CC1(C)C 2317372830 KMAPXRQZHTZNPM-WBVHZDCISA-N 250.426 4.538 30 10 CJEE CCC[C@H](OC[C@@H](CS)C1CC1)c1ccccc1 2318098317 BYPGHCBOQQRLLH-HOTGVXAUSA-N 264.434 4.500 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc(C)c(Cl)cc1C 2319256955 WPZLGTLPIMUFJB-CJNGLKHVSA-N 263.812 4.574 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(Cl)ccc(F)c1F 2321225563 QOWJVGPWKZBSEN-KBPBESRZSA-N 274.738 4.644 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(F)ccc(C)c1Cl 2321232444 LBWRMOMITMTCKQ-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE CC1(C)CC[C@H](CC[C@@]2(C#N)CCC(F)(F)C2)C1 2321630931 LHHQLXNAGCFFEP-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE C=CCCCC(=O)C1CCC(CC(F)(F)F)CC1 2328361079 GXBJZTGIHUELQC-UHFFFAOYSA-N 262.315 4.671 30 10 CJEE CC1CCC(C#N)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2329801795 OQRXQNTUYDQXHH-BSMMKNRVSA-N 267.363 4.778 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 2331317798 RPNJQKLKNABMOJ-FPCVCCKLSA-N 260.421 4.764 30 10 CJEE C=CCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2332723136 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C=C[C@H](CCCCC)OC[C@](C)(CC)CNC(C)C 2343158938 QRIIQZWWBADTOD-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C[C@@H](C)O1 2343371193 JPLXVXCWXHZHOI-LVNYTYFRSA-N 263.425 4.546 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CC[C@H]1C(C)(C)C 2343372075 QXUYUDPIOIFGFF-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE O=C[C@@]1([C@H](CC2CC2)C2CC2)CCCCC12CCC2 2343966397 KWZVKUZXUOSZRT-SJLPKXTDSA-N 260.421 4.742 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc2cccc(C)c2o1 2344459067 DUTGYWIOEUWYMZ-IAGOWNOFSA-N 258.361 4.767 30 10 CJEE C=CCCCCCCCSc1cc(C=O)c(C)cn1 2352400710 KYLFHSORJHRYMG-UHFFFAOYSA-N 277.433 4.821 30 10 CJEE C=CC[C@H](C)[C@@H](O)CC1CCC(CC(F)(F)F)CC1 2353171418 GFUIGZHYFHAMCO-ABXWRUBCSA-N 278.358 4.708 30 10 CJEE CCCCCC1CC(N(C)C[C@H](CS)CC(C)C)C1 2353842964 LVRUIFOQYDRONJ-AQFXKWCLSA-N 285.541 4.869 30 10 CJEE CCCCCCCNC1=CC(=O)C[C@H](c2ccccc2)C1 8683151 YQTNHZMIGYHPRP-QGZVFWFLSA-N 285.431 4.577 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 37282183 IFIBKOINRASYDJ-LLVKDONJSA-N 296.336 4.958 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1c(Cl)cccc1Cl 37935895 BPHDMSJXKFNNAW-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ccccc1F 59089819 CAXQCKUCFCCIAZ-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE CCCC[C@](C#N)(CC)Nc1cccc(Cl)c1 69381337 BUCYNJREXVGBJM-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE COc1ccc(Cl)cc1-c1cc(C#N)c(C(C)C)o1 77079846 BBQCRLCZTGJUSW-UHFFFAOYSA-N 275.735 4.604 30 10 CJEE CCCOc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1 83194066 XONRZSSQGVZITM-NTEUORMPSA-N 294.394 4.934 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2C)CC1 86907933 KKPQNRVQXOHDGB-ZBFHGGJFSA-N 256.393 4.638 30 10 CJEE CCCC1CCC(C#N)(C2(O)CCC(CC)CC2)CC1 91876001 VWNWPBCMKWLZFD-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 91880620 NQHYYCWFEMCNDC-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CCC1(CC)CC(C#N)(Sc2ccccc2C)C1 97412231 TZWWGHGHUBBMAC-UHFFFAOYSA-N 259.418 4.950 30 10 CJEE CCCCCCCCn1c(S)nc2ccccc21 100837206 DYZYIFPJHWBVTF-UHFFFAOYSA-N 262.422 4.686 30 10 CJEE CCCCCCCOC1(CNC)CCC(CC)CC1 103979882 YOJKKWZCKUYUNG-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE Cc1ccc(C#N)c(Oc2ccccc2C(C)C)c1 104183865 HPHDDZNXVNLGMQ-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCC#C[C@@H](C)Cc1c(OC)cc(C)c(Cl)c1C 107626128 YPHCOWFTOOHWJV-LLVKDONJSA-N 264.796 4.557 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H](C)c1cccs1 110020847 LZMPPLOSCUAFNF-DOTOQJQBSA-N 296.524 4.819 30 10 CJEE CCCCCCCCOC[C@H](CCC)NCCC 110084001 WHNNPZQZVCJLHO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](CNC)Cc1cccc(C)c1 110188844 WHFPITXCEYIVNS-SFHVURJKSA-N 261.453 4.734 30 10 CJEE CCCCCCCN(CC)C1(CN)CCC(CC)CC1 110464588 PMRSNXLSUGJRTG-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE C#CCC[C@H](NCCC)C(CC)(CC)c1ccccc1 110923953 YVMMRXGIEQADFO-SFHVURJKSA-N 271.448 4.526 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(OCC)c1 112884926 SVEULCJPMNWBGV-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE N#Cc1ccc(NCCC2CCCC2)cc1C(F)(F)F 113046791 VOFKVPKZVKXGBX-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1CCC 114349273 ZOHVQBXAFUVJIG-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]1(C)CCCCO1 122023919 OPBLAQKHWODCNN-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC#CCC[C@H](CCCCCCCCC)NCC 124784609 QBBPQWXYRUNIJA-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(c2ccccc2)CC1 126168365 BLSLSVGXBJXTNW-GOSISDBHSA-N 288.479 4.691 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](CCC)OCC 126420674 ZQCRXTBBDDFKRG-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](NN)C1CCC(CCC)CC1 126758146 LWRLTECZUAQIGT-JCYILVPMSA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](CSc1ccccc1C)NN 126961259 XJRQGXSMTKQHNF-INIZCTEOSA-N 294.508 4.670 30 10 CJEE CCCCCCCC[C@H](CSc1ccccc1C)NN 126961494 XJRQGXSMTKQHNF-MRXNPFEDSA-N 294.508 4.670 30 10 CJEE CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)s2)cc1 134663157 CMTUAWFPTITTCE-OLZOCXBDSA-N 284.428 4.594 30 10 CJEE CSc1cccc(OCc2ccccc2Cl)c1C#N 136699560 DANZLDFQRYVPHL-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCCCCCCCCNCCC(OCC)OCC 159551284 HWOSTCHVUKMEBP-UHFFFAOYSA-N 287.488 4.506 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(Cl)c1 164507541 JYJTWJYJIYTVQQ-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE N#C[C@H](Nc1ccccc1)c1ccc(Cl)c2cccnc12 166502612 VXPGQAAECKOLSY-INIZCTEOSA-N 293.757 4.565 30 10 CJEE C=C(Cl)CN[C@H](CC)c1ccc(Cl)cc1Cl 167744110 SHGVPPITTWMZQV-GFCCVEGCSA-N 278.610 4.787 30 10 CJEE CCCCCCCCCCNCCCOCC1CC1 218757780 SZJMOQKYDDMPGX-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE C#C[C@H](CCC)N[C@H](CCC)c1ccc(Cl)cc1 229911964 UQMZIZXMLSRCQG-HZPDHXFCSA-N 263.812 4.573 30 10 CJEE C=CCCC[C@H](NC)[C@@H](c1ccccc1)[C@@H](C)CC 232118786 WNSNDYPEDDCFHU-RYQLBKOJSA-N 259.437 4.761 30 10 CJEE Cc1cc(C)c(CC(=O)C2=CCCCCC2)c(C)c1 235831213 ALPRECHAMVIYHU-UHFFFAOYSA-N 256.389 4.614 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cc(Cl)ccc2Cl)c1 235920063 PVWDAIGOFLPZLC-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1cccc(Oc2ccc(C#N)c3ccccc23)c1 236021730 QULFURDCQNCGEN-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CC(C)(C)c1ccc(Oc2ccc(C=NO)cc2)cc1 250357602 AZDAGKQKJMAANH-UHFFFAOYSA-N 269.344 4.585 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 251224106 NYJFOFHFYFBWHS-IXDOHACOSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H]2CC[C@H]1C2 252823876 RYYYQIDZPMKKBL-NXOAAHMSSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1C[C@@H]2C[C@@H]2C1 252909287 ZQHPJIIGWGYKRM-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCC)[C@H](CC)C1 253303701 RWQFGWGCYNSPMZ-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@](C)(CC#N)O1 311175530 VVANVFFYVNVMPF-HZPDHXFCSA-N 251.414 4.978 30 10 CJEE Cc1cccc(N[C@@H](C#N)C2CCC(C(C)C)CC2)c1 312325056 YJASPTFPOHPGAE-HTWSVDAQSA-N 270.420 4.762 30 10 CJEE CCCCCCC[C@H]1N([Si](C)(C)C)C(=O)C12CCCC2 312930838 NYWGCEGYOXIURV-OAHLLOKOSA-N 295.543 4.953 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(CC#N)c2)cc1C 313435689 JZEDOOQPTISPCY-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE CCc1ccc([C@H](C)Nc2cccc(CC#N)c2)s1 313485558 XGVOXQUGOSQIGS-LBPRGKRZSA-N 270.401 4.550 30 10 CJEE CCC1CCC(C=O)([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 316624312 BMHCTVDFLXAZDC-HGHNZHKBSA-N 250.426 4.844 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 316703489 CLQSRQGVVTZZNC-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCCCC23CCCC3)cc1 320668940 KXKGGYZLZDBGIY-IBGZPJMESA-N 299.458 4.844 30 10 CJEE C[C@@H]1CCC[C@@]2(CS/C(=N/CC(C)(C)C(C)(C)C)N2)C1 380315365 LSBSALKSIHWSIY-DYVFJYSZSA-N 296.524 4.700 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1csc(C)c1 381127896 GKTUYWKUOOVERT-OAHLLOKOSA-N 263.450 4.537 30 10 CJEE C=CC(C)(C)CN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 384814624 AQVWYEZAMKMLAK-BPQIPLTHSA-N 271.448 4.761 30 10 CJEE C=CCSc1ccccc1NCc1csc(C)c1 385681394 COUOXWDDHYLZDR-UHFFFAOYSA-N 275.442 4.947 30 10 CJEE CCCCCCC[C@H](C)Nc1cn(C)nc1C(C)C 388730750 XMNYPZXIBWFZQI-AWEZNQCLSA-N 265.445 4.704 30 10 CJEE N#C[C@H](CNc1cccc(C(F)F)c1)C1CCCCC1 397206111 SNTZQHGIWZJTNZ-CQSZACIVSA-N 278.346 4.756 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21 398196639 UEJDNIMOTGJFLS-RLFYNMQTSA-N 257.421 4.959 30 10 CJEE C[C@@H](n1nc(C2CCCC2)c(C#N)c1Cl)C(C)(C)C 400094965 VNRXNWKDTOJFMY-SNVBAGLBSA-N 279.815 4.673 30 10 CJEE CCCCCCCCCC[C@]1(O)CC[C@H]2CC[C@H]1O2 401741372 JIJRDJKZTAWQRM-ZACQAIPSSA-N 268.441 4.590 30 10 CJEE C=CCCCC[C@H](C)N[C@H](c1ccccc1)c1ccncc1 494987076 HVBJMMXTJJQEPZ-FXAWDEMLSA-N 294.442 4.896 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2nccs2)C1 651693856 GTNPDFJKBIAUEX-DJIMGWMZSA-N 298.455 4.567 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 691038547 NXPSPSRYERFDJK-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2ccc(F)cc21 692192676 YTINDHOYTPKGIQ-FZMZJTMJSA-N 290.407 4.772 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCc1ccccc1 692214662 KOCCVSLVHQEWQU-UHOSZYNNSA-N 271.448 4.732 30 10 CJEE CC(C)(C)[C@H]1CCS/C(=N/CCCC2CCCCC2)N1 694076664 PWCAUPSLXGKOTG-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)c(F)c(F)c3)C[C@@H](C1)C2 697335119 ZSKXPQJNDNZUAR-FOSCPWQOSA-N 281.321 4.651 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCC[C@@H]1N 698503298 BNSRPMDZKYQHCA-FGTMMUONSA-N 283.500 4.786 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Br)cc1 701917890 CZQFAWLUCFJBAG-LBPRGKRZSA-N 296.252 4.702 30 10 CJEE CCC[C@@H]1CCCCN(c2cc(Cl)ccc2C#N)C1 703218786 JFLPFUAGHHSBRS-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE CCCCCCCC(=O)c1oc(Br)cc1C 716183277 UCZPWILFBQWZRJ-UHFFFAOYSA-N 287.197 4.894 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(C)CC(F)(F)C1 720508029 YOFQJVQKTWTIIP-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CC(C)[C@@H]1CCC[C@]2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1 725350049 HZEPURZZQCRYCW-CPUCHLNUSA-N 278.245 4.685 30 10 CJEE O=C(/C=C\c1ccc(N2N=N2)cc1)c1cccc2ccccc12 1081165359 UPKRIGUVKBSBQZ-RAXLEYEMSA-N 299.333 4.838 30 10 CJEE C=CC[C@@H](C(=O)NC[C@H]1CCCC(C)(C)C1)c1ccccc1 1129904351 RDSSRUXTTAQJKT-FUHWJXTLSA-N 299.458 4.679 30 10 CJEE C=CCCCCCN1CCC[C@H](Cc2ccccc2)C1 1167331860 BNTPRVGCVOARNU-LJQANCHMSA-N 271.448 4.688 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc(Cl)c1Cl 1174781638 YEOCRJGVSVLEJO-BETUJISGSA-N 282.214 4.676 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc2c(c1)C[C@@H](C)O2 1184077239 NUXVBUTXXRUIAC-HIFRSBDPSA-N 259.393 4.557 30 10 CJEE CCCCCCCN(C)[C@H](C)Cc1ccsc1 1191401038 VAEZZHSNCKLLDD-CQSZACIVSA-N 253.455 4.581 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(Cl)c1C 1203571868 KWHBZGVXDCVSTA-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE C=CCCCCN(CCC(C)C)c1ccc(OC)cc1 1307741562 KHDXWHOWVMBHCP-UHFFFAOYSA-N 275.436 4.904 30 10 CJEE C=CC(C)(C)CC(=O)OC1CCC(C(C)(C)C)CC1 1349277650 CBUHCEIQXKCJBG-UHFFFAOYSA-N 266.425 4.737 30 10 CJEE C#CCCCCNCc1sc2c(Cl)cccc2c1C 1474067544 YRHWNEOUDDTDIG-UHFFFAOYSA-N 291.847 4.756 30 10 CJEE C=CCCC(C)(C)CNC[C@@H](C)c1ccc(F)cc1 1474660977 YWZYPWDCWAXPED-CQSZACIVSA-N 263.400 4.511 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@H](C)C1CCCCC1)c1ccccc1 1524124087 HFWOCANISCWTGO-IAGOWNOFSA-N 299.458 4.774 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 1528528734 WZTFCSPWLTVSAI-BRSBDYLESA-N 291.479 4.700 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(Cc2ccccc2)cc1 1529512165 RLCZRKLEVOFTJP-UHFFFAOYSA-N 280.367 4.539 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)c2ccc(CC)cc2)CCCC1 1532700646 BOVJPFNXKKMYJR-INIZCTEOSA-N 299.458 4.748 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCCC)cc1C 1534747661 OXGSDGIZMQYHGI-SFHVURJKSA-N 289.419 4.715 30 10 CJEE C=CCCCCCCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 1535048895 IRWQJXOJGSYRRW-HZPDHXFCSA-N 279.468 4.702 30 10 CJEE C=C[C@H](OC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 1538939499 WCGYGDLFSHXYTA-ROUUACIJSA-N 280.367 4.651 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)CC(C)C 1559505575 KUBUIEXAZDOQCP-UHFFFAOYSA-N 271.448 4.728 30 10 CJEE C#Cc1cccc(N(CC)CCCCCCCC)c1 1559645042 TWTIPJKSYPNHRI-UHFFFAOYSA-N 257.421 4.855 30 10 CJEE C=CCCc1ccccc1NCC1=Cc2ccccc2OC1 1560450499 FVTLRSJKMWAGPA-UHFFFAOYSA-N 291.394 4.693 30 10 CJEE C=CCC1(CNCc2ccc(F)c3cccnc23)CCCC1 1560471086 DRTLCRFOKNGPFW-UHFFFAOYSA-N 298.405 4.600 30 10 CJEE C=C(C)CCC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 1584344155 LFQOOCDSVFQJRA-SFHVURJKSA-N 299.458 4.557 30 10 CJEE C=CCCCC(=O)N(CCCC)Cc1c(C)oc(C)c1C 1584980818 OMTXXPBYXZHZJK-UHFFFAOYSA-N 291.435 4.690 30 10 CJEE C=CC[C@H]1N(C[C@H]2CC(C)(C)OC2(C)C)CCCC1(C)C 1617603675 CFDOPGJHRDNDQH-HZPDHXFCSA-N 293.495 4.647 30 10 CJEE C=C[C@H](CC(=O)NCC[C@H]1CCCC1(C)C)c1ccccc1 1618464547 MDXIMWZDIFHWKW-SJLPKXTDSA-N 299.458 4.679 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](C)CCC(C)(C)C 1623981914 RPUWNPUFEVTFOJ-CQSZACIVSA-N 267.457 4.557 30 10 CJEE C=C(Br)CSCCCCc1ccccc1 1643859499 WJSCBZNMXGHNRC-UHFFFAOYSA-N 285.250 4.651 30 10 CJEE C=CCCCCN1CCC[C@H](Cc2ccc(C)cc2)C1 1644469034 OVZDIZVTNUHVSR-LJQANCHMSA-N 271.448 4.606 30 10 CJEE C=CC[C@@H](C)Sc1nnc(-c2cc3ccccc3o2)o1 1651845842 PBRWJBVVXQPQPK-SNVBAGLBSA-N 286.356 4.540 30 10 CJEE C=CCN(CC1CCCCC1)[C@H]1CCc2ccccc21 1652493911 UDRZONDEPDSSMS-IBGZPJMESA-N 269.432 4.742 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2cc(OC)c(OC)cc2c1 1652851847 ARMHVKXLZMKPTP-CYBMUJFWSA-N 285.387 4.624 30 10 CJEE C=CCN(Cc1cccc(OCC(C)C)c1)C(C)(C)C 1654264470 NDQHWIJXPLEFJO-UHFFFAOYSA-N 275.436 4.508 30 10 CJEE C/C(=C\c1ccccc1)CNc1ccc(CCC#N)cc1 1657001163 ZIYOYGDZBIVCHK-JQIJEIRASA-N 276.383 4.658 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCOc2ccc(F)cc21 1657780999 DBFRPYWYDXQBSI-WMLDXEAASA-N 291.410 4.764 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(OC(C)C)c(C#N)c1 1664262101 LDYBVEQLRJKYPL-HNNXBMFYSA-N 286.419 4.892 30 10 CJEE C=CCCC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccccc1 1665552939 VNVPLJIJGZTZKR-NJAFHUGGSA-N 257.421 4.862 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC(CC)(CC)C2)c1 1674975075 FFXKCOBEKACWDH-UHFFFAOYSA-N 286.419 4.764 30 10 CJEE C=CCN(C(=O)/C=C/c1ccc(C)cc1)[C@H]1CCCC[C@@H]1C 1860026305 JWJXOILUDAQVBT-YFOSEYIMSA-N 297.442 4.602 30 10 CJEE CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1874614695 OXPMPDVSQLJHGH-CSKARUKUSA-N 286.758 4.635 30 10 CJEE C=CC1(CN(C)C[C@H]2CC[C@H](CCC)CC2)CCC1 1877954377 YIDQJMBJSDBBOI-QAQDUYKDSA-N 263.469 4.881 30 10 CJEE CCCCCCCCCCN1C(=O)CC(C)(C)[C@H]1C 1883861659 INBXWOIPZBAINT-OAHLLOKOSA-N 267.457 4.774 30 10 CJEE C#CC[C@H](C)C[C@H]1CCCCC[C@H]1CNC(C)(C)C 1887487295 AFTHNZSHWZTZNV-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1(CC)CCCC1 1888675753 SNTSJNSSZDQCAL-QGZVFWFLSA-N 257.421 4.648 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@@H]1C 1888682739 QXEUPNXPTDTXHM-QGTPRVQTSA-N 257.421 4.504 30 10 CJEE C=CCC(CC=C)Sc1ccc(Br)cc1N 1899328031 NTLGAHFKMPCACK-UHFFFAOYSA-N 298.249 4.644 30 10 CJEE C=CC[C@H](C)C(=O)c1c(Cl)cc(F)cc1Cl 1901873559 MBZJLVDCBVDRMM-ZETCQYMHSA-N 261.123 4.527 30 10 CJEE C=C(Cl)C[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 1905220005 QMFLMJQWFJSYLJ-GFCCVEGCSA-N 278.610 4.618 30 10 CJEE C=C(C(C)(C)C)[C@](C)(O)c1cc(Cl)cc(Cl)c1F 1919571558 KINJADIOZSHLLB-AWEZNQCLSA-N 291.193 4.942 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1920036095 OSOJLCBKKRKEJB-JVXZTZIISA-N 279.594 4.892 30 10 CJEE CCCCCCCC[C@@H](O)c1c(C)nc2sc(C)cn12 1920038813 QKLHEWCWTCKAOB-CQSZACIVSA-N 294.464 4.797 30 10 CJEE CC[C@](O)(c1cccs1)C1(C#N)CCC(C(C)C)CC1 1921076014 XVGQNKJEVJEVSN-PREGVCBESA-N 291.460 4.702 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCC12CCC2 1921609706 HWMRHBSLHBCVMM-LISAXSMJSA-N 255.405 4.843 30 10 CJEE 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CCCCCCCCCC[C@@H](O)[C@H]1CCC2(CCC2)N1 2205750286 AMWSBXAYHIBXEM-IAGOWNOFSA-N 281.484 4.553 30 10 CJEE C=CCCCCCCOc1ccc([C@@H](C)NC)c(F)c1 2206895979 ZANAYVOPCAVMNC-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1cc(Cl)ccc1F 2206897401 BDEVQHUNNVKUCL-INIZCTEOSA-N 298.785 4.608 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1c(C)ccnc1C 2206901787 DZJCFWLCDSTUOL-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCCOc1ccc(F)cc1CN 2207395004 BBLLXRPJBVNFOJ-UHFFFAOYSA-N 279.399 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1cn(CC)cn1 2207410601 RJMLKEGLJKIYSH-INIZCTEOSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCCC1(O)CC2(CCOCC2)C1 2207412800 HPFQJSTWDYYWHN-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCC[C@@H](OCC)C1 2207414151 NFBDMMZYTDEPLY-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H](N)C1CCC1 2207424503 GDNFFIUJBLJKPQ-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](CN)N(CC)Cc1ccsc1 2207461143 NWRLAVRQNARDMF-QGZVFWFLSA-N 296.524 4.648 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](C)OCc1ccccc1 2209705237 IWOXYBNGEUBSFU-MJGOQNOKSA-N 289.463 4.836 30 10 CJEE CCCC#C[C@@H](NCC)c1cc(Cl)sc1Cl 2210377335 NWMOPYBXTYXSHT-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc(Cl)cc(Cl)c1 2216165064 WUUNIQKIWGGUKR-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCC[C@@H](F)C1 2220080432 UJQBCQMTBUQHDZ-XHSDSOJGSA-N 256.405 4.792 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCCCC 2223858529 ZNOIHHRDYYKLLV-MRXNPFEDSA-N 256.430 4.637 30 10 CJEE C=CCCCCCCCCO[C@H](C)CNC(C)(C)C 2225678901 KMGLQADNBZLJCH-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE CC1(C)COCC[C@]1(C#N)CCCCCCC1CC1 2225785296 CGTKSFBJAXEHHG-KRWDZBQOSA-N 263.425 4.693 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(Cl)cc1N 2227276644 SVDPZPWQMVJOCC-MRXNPFEDSA-N 281.827 4.872 30 10 CJEE C#C[C@@H](NCCCCCCCC1CC1)C1CCCC1 2230885194 CYGIHCSHBINMQJ-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCOc1cc(C)nc(Cl)n1 2231019837 PJBMSNNHMLFXMZ-UHFFFAOYSA-N 284.831 4.958 30 10 CJEE CCCCCCCC[C@](C)(N)c1cc(C)ncc1C 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C=CCCCCC[C@@H](NCC)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2236738727 WZJBNEXNCDBXIR-VSZNYVQBSA-N 295.536 4.880 30 10 CJEE CCCCCCCCCCCOCc1cccc(N)n1 2239486900 KXKQTEPWECRUGZ-UHFFFAOYSA-N 278.440 4.711 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC2(CC2)[C@@H]1O 2239500351 NVZANUZEWNXGNY-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CC1(C)CCC[C@H]([C@H](O)C#Cc2cccc(Cl)c2)CC1 2239548619 FJNKETDGNVASQU-DOTOQJQBSA-N 290.834 4.659 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)C1(CC)CCC1 2239558569 HZJAPYJUDUKPJM-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCC[C@@](C)(O)C#Cc1ccc(CCC)cc1 2239667497 YEVIXCLGZVRJGR-LJQANCHMSA-N 272.432 4.712 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1ccccc1C(C)C 2240099839 IMYCACUKGJMWEJ-SJORKVTESA-N 273.464 4.933 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1OCCC1(C)C 2240666884 QZJGNWVOGKIAMD-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCOc1cc(Br)cnc1C 2242832192 NTPYRVDARGXAQG-UHFFFAOYSA-N 286.213 4.502 30 10 CJEE CCCCCCCNCC1(C)CC(C(F)(F)F)C1 2253692760 BCYGMXUCRZSMDS-UHFFFAOYSA-N 265.363 4.525 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1sccc1CC 2255971872 JDXDFKJQPFJVEW-LSDHHAIUSA-N 263.450 4.535 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@@H](C#N)C2CCCCC2)C1 2256633741 PBXPHDNSZMCICR-IIAWOOMASA-N 265.466 4.876 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCC[C@H]1C 2259128974 VGFLLJWRVANIMA-IIAWOOMASA-N 251.414 4.548 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCC[C@@H]1C 2259175580 GBINDRJMVPHNNQ-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCCN[C@@H](C)[C@H]1CCCC(C)(C)C1 2259235102 KOXMFQQZTIVBPM-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE FC1(F)CCC[C@@H](OCCCCCCCS)CC1 2263148502 LOFPBHGZBKWQMF-CYBMUJFWSA-N 280.424 4.851 30 10 CJEE Cc1cc(NCc2ccsc2C#N)c(Cl)cc1Cl 2263170703 SRQJOKISDMGGQV-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@H]1[C@H]2CCC[C@H]21 2263660260 GSFZCPSXDCZDOE-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCNC[C@@H]1CC[C@@H](C(F)(F)F)C1 2264936779 VUHOGIWKYMIIMD-ZIAGYGMSSA-N 277.374 4.691 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC[C@H](C)C1)CNC1CCC1 2265037238 HSXUAGLUGLHICF-LZLYRXPVSA-N 263.469 4.927 30 10 CJEE CC1CC(CS)(COc2cccc3ccccc23)C1 2265302501 SFPHVQRRLXGIMF-UHFFFAOYSA-N 272.413 4.565 30 10 CJEE Cc1cc(Oc2c(F)cccc2C#N)cc(C)c1Cl 2265697139 CDJJXQMKHSPOCK-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCCCCCC[C@H](CC=CC#CC(C)(C)C)NC 2268750153 IWUCINXULPRXRI-QGZVFWFLSA-N 263.469 4.931 30 10 CJEE C=C1CC(CCCCC[C@@H]2C[C@@H]2C)(CNCCC)C1 2269467846 JMBRYBRJUIFEAT-DLBZAZTESA-N 263.469 4.929 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(N)CC(C)C 2270015375 SUIDBEGSCSVXNE-QGZVFWFLSA-N 269.473 4.850 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](S[C@H]2C[C@@H]3C[C@@H]3C2)C1 2270228619 LGVTWHHZNQCRTD-UGYDUONOSA-N 277.477 4.873 30 10 CJEE C=CCCCSc1cc(F)cc(CNC(C)(C)C)c1 2271597009 PWFUASLOCRQWBI-UHFFFAOYSA-N 281.440 4.772 30 10 CJEE CCC1CCC(C#N)(C[C@@H](CC(C)(C)C)OC)CC1 2271625709 OWTXTVNGEUBWMT-ISXOHVOVSA-N 265.441 4.938 30 10 CJEE CCSc1ccc(C(=O)CC#CC2CCCC2)cc1 2274130129 LRFBAXHIDMFRQD-UHFFFAOYSA-N 272.413 4.565 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H](C)OC(F)F 2274379111 AEMWCJVHPRTYBW-ZIAGYGMSSA-N 279.415 4.733 30 10 CJEE CC1CCC(C#N)(c2cccc(C(C)(C)C)c2)CC1 2274502400 GZMQRYOMFCZMPZ-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCCCCCC[C@](CCC)(OCCN)C(C)(C)C 2276767569 NPJRDOKGEPODLA-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@H](CC1(C)CCCC1)OCCN 2276862178 BYHZSAGCQGMGKQ-INIZCTEOSA-N 269.473 4.661 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1ccc(C)s1 2276980997 BGKJCPJUEWUZQA-OAHLLOKOSA-N 281.465 4.600 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H](C)C(C)C 2278178564 PKDJBXAQMYGDSN-WBVHZDCISA-N 270.457 4.739 30 10 CJEE CCCCCCCCC[C@@]1(C)OCC[C@H]1NCCC 2278245838 XHOALCMRSKYTCN-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CO)CC(C)C 2278247883 POGTUFRBGLVDMZ-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE CC1=CCC[C@H](C)[C@H]1CNc1cc(C)c(C#N)c(C)c1 2280555107 GAKXRGPEVPVPMV-UGSOOPFHSA-N 268.404 4.579 30 10 CJEE CCCCCCCOc1ccc(C[C@H](N)CC)c(C)c1 2282772355 BNAFRQNAXOXYED-QGZVFWFLSA-N 277.452 4.624 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCCCCCC1(F)F 2284077694 SNYUCDHHNXEFSM-INIZCTEOSA-N 284.390 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284.440 4.809 30 10 CJEE C=CCCCCCC[C@](CC)(CC1CC1)OCC(=O)O 2291278670 UYYXQDRFLCWOEK-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)C(C)=C(C)C 2292354916 CHHBSYUIRKIYSF-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCC#CC[C@](C)(CCCCCCC)OCCN 2292558476 YKJDGCGEAWGMIY-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@](C)(C#CC(C)(C)C)OCCN 2292616131 HOQONLINKNUUAN-GOSISDBHSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1cscc1C 2293354360 WKVVOOKWKPBYQM-QGZVFWFLSA-N 297.508 4.998 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1(CF)CCC1 2293464781 YHTBJYSINVAEEI-INIZCTEOSA-N 287.463 4.611 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCN)C=C(C)CC1 2294020834 JXQBCUIWFCWWRM-SFHVURJKSA-N 279.468 4.747 30 10 CJEE C=C(C1(OCCN)CCCCCCCCC1)[Si](C)(C)C 2294339905 QECVGLLHVLSNKW-UHFFFAOYSA-N 297.559 4.659 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1CC 2294452325 ITUMTESNLPRGKS-KSZLIROESA-N 283.500 4.907 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 2295026396 HXHICJAMICYCCF-NSHDSACASA-N 285.774 4.817 30 10 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PRKXKIGQYWLIKS-ORIJERBGSA-N 272.498 4.810 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC1CCCCCC1 2327165782 MOYCCFNOZOFTCN-MRXNPFEDSA-N 272.498 4.956 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC12CCC2 2334629331 BPPFXFWQCVPRGD-DFGXFYAUSA-N 260.421 4.742 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](NCC)CC(C)(C)C1 2335189462 ZOOKYEJWPMQQRX-GOEBONIOSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CCC2)CC[C@H]1NC 2335206892 OMIJZFXDYDFSQP-CVEARBPZSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccccc1C 2335208122 YMSMHEZFAJISBU-NVXWUHKLSA-N 277.477 4.734 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2c(Cl)cccc21 2337067659 OMLHGJFEKNOOSA-CMPLNLGQSA-N 292.835 4.896 30 10 CJEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2ccc(C)cc21 2337167264 SXUSWFUMESLOKS-JSGCOSHPSA-N 272.417 4.551 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC 2339266724 COJQPKBFQQZHGK-TZNCUMHOSA-N 261.453 4.559 30 10 CJEE CCCCCCCCC[C@@](C)(N)C#C[C@@H]1CC1(C)C 2339546932 LLCRLEBUKIUJMM-SJLPKXTDSA-N 263.469 4.894 30 10 CJEE CC1(C)C[C@H]1C#C[C@@H](O)c1ccc(-c2cccs2)s1 2339622674 RCQZTPDIZLXGRB-VXGBXAGGSA-N 288.437 4.560 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2342328773 LYASFLOBWCMZMG-TVQRCGJNSA-N 291.744 4.832 30 10 CJEE O=C(C=C1CCC1)[C@@H](c1ccccc1)C1CCCC1 2342354121 PDCDTEAAABXAQW-SFHVURJKSA-N 254.373 4.640 30 10 CJEE CC(C)c1cccc(COCC2(CS)CCCC2)c1 2343784105 PLDKDHSHOCHBGM-UHFFFAOYSA-N 278.461 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@](C)(F)C1)NCCC 2344341849 FPHHHPALRFBYNO-WCXIOVBPSA-N 269.448 4.875 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC(C(F)(F)F)C1)NCCC 2344380946 ARTRIZDQUJMTQS-RYSNWHEDSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC[C@@H]1C(F)F)NCC 2344382449 GBWOMALFRFQSMG-IHRRRGAJSA-N 273.411 4.638 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(OC(C)C)cc1 2344422656 ZIPLCRZMPUCOMG-KRWDZBQOSA-N 260.377 4.649 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCCC12CCC2 2352083332 HYKVEQKBUYPBLW-GDBMZVCRSA-N 283.525 4.623 30 10 CJEE N#Cc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 14549589 UKEDGDGINXCQRS-JZXOWHBKSA-N 290.341 4.524 30 10 CJEE CCc1ccc(Oc2cc(C#N)ccn2)c(C(C)(C)C)c1 21513131 ONOXKBHFAPVPLE-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922129 SDCHNVSYHMTMJP-AWEZNQCLSA-N 258.409 4.868 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@H](C)C1 70115197 VBRUVFZFJYKCMB-GYSYKLTISA-N 296.336 4.814 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2ccccc2n1 71277586 GOLPEOZTLDBOCY-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCc1oc(-c2ccc(OCC(C)C)cc2)cc1CC#N 77077216 MEKBPMSNHRAJDI-UHFFFAOYSA-N 283.371 4.610 30 10 CJEE N#C[C@@H](CSc1ccc2c(c1)CCC2)c1ccccc1 80800746 VRZNHXWDDSSENU-KRWDZBQOSA-N 279.408 4.575 30 10 CJEE Cc1nc(Cc2cccc3ccccc23)sc1CS 82419364 UTHQLXRJAARTCU-UHFFFAOYSA-N 285.437 4.625 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87973456 MHSPVHQOXBKTIX-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE OC1(C#Cc2ccc(Oc3ccccc3)cc2)CCCCC1 95633808 OHPFNMQZNJEBLS-UHFFFAOYSA-N 292.378 4.526 30 10 CJEE CC[C@H]1CC[C@H](C)N1CCCCCCCCCS 97799557 NIIHPSDFVBAVPC-HOTGVXAUSA-N 271.514 4.910 30 10 CJEE CCCCCCCN[C@@H]1CCSc2ccccc21 102821179 IMLCZBJJYJJADN-OAHLLOKOSA-N 263.450 4.784 30 10 CJEE C#CC[C@H](C)c1cc(C(F)(F)F)ccc1OCCC 107475626 YVVBKIOKPPUCPN-NSHDSACASA-N 270.294 4.621 30 10 CJEE CC#CCCc1c(C)c(Cl)cc(C)c1OCCC 107651619 PCOVGBUOPQLBJS-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCCCCCCCC(=O)NC1CCCCCC1 108368981 GFSBBXUHEJTUHE-UHFFFAOYSA-N 253.430 4.576 30 10 CJEE CCCCCCCCCN(C)[C@]1(CN)CCC[C@H](C)C1 110464574 MALMESSIVACICR-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCOc1cc(OCCC)c(F)cc1N 110642508 RNNMHLUNXZRLHQ-UHFFFAOYSA-N 297.414 4.936 30 10 CJEE CCCCCCCCN(CC)[C@]1(CN)CCC[C@H](C)C1 110917161 APDQAPDOVIRNKI-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCCCC1(O)CCOCC1 114872744 GYAGECUJVXBUFP-UHFFFAOYSA-N 270.457 4.839 30 10 CJEE CCCCCCCCCCCCC(CO)(CO)C(C)C 118869998 GMLDYSDCXCLLLF-UHFFFAOYSA-N 286.500 4.924 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1ccco1 123149165 VDLXXCYOAWUAPM-HNNXBMFYSA-N 266.429 4.705 30 10 CJEE C[C@H](Nc1c(F)cc(F)cc1Cl)c1ccc(C#N)cc1 124032238 CBSIVTGXOYNZGI-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)C1 125707100 FIRXREXJQMBDKN-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1c(F)cc(F)cc1F 125758296 JLNFBHOZECPGGE-CQSZACIVSA-N 271.326 4.501 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1cccc(SC)c1C#N 127075388 OUJXFGKOEWZGRF-VXGBXAGGSA-N 262.422 4.517 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H](c2ccccc2)C2CC2)c1 127796937 PWBVVSFGAOXBIW-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 129722128 VCROYCTVVQRIRJ-VHSXEESVSA-N 288.193 4.585 30 10 CJEE C=C(C)[C@H](NCCC)c1cccc(Cl)c1Cl 131341901 IJODQVMCIUBCOZ-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@@H](NCCC)C(F)(F)F 159064392 PXTLWYDVXNUGTP-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE C[C@H]1CCC[C@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 164498027 UUKRHYRJEBISSL-JQWIXIFHSA-N 283.293 4.535 30 10 CJEE CCCCCCCCCC(=O)Cc1ccncc1Cl 166873275 FZEDJGWUOWRZER-UHFFFAOYSA-N 281.827 4.987 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccco1 189868198 AZRGJLZUTDTNAS-UHFFFAOYSA-N 297.398 4.703 30 10 CJEE Cc1ccc(C#Cc2cnc(-c3ccccc3)s2)cc1 196640090 ZNZWMNAMHKYSPE-UHFFFAOYSA-N 275.376 4.518 30 10 CJEE O=C(/C=C\Sc1ccc(F)c(Cl)c1)c1ccccc1 210081663 SYWDWGXBYYKRTF-HJWRWDBZSA-N 292.762 4.968 30 10 CJEE C/C(CCc1ccc(O[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1)=N/O 212832580 MXHGXTLZFHHOGL-NWSFXQRXSA-N 289.419 4.673 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC2CCCC2)C1 223342655 SQPPTDNURXSNNR-KURKYZTESA-N 290.495 4.853 30 10 CJEE CCCCCCCCOc1cncc(NCCC)c1 228351421 HXYDRLYDUXBRRO-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE C#C[C@@H](CCC)N[C@@H]1CCCC[C@@H]1C1CCCCC1 229908382 UWYKPBNPZDGMFJ-RCCFBDPRSA-N 261.453 4.517 30 10 CJEE N#Cc1ccc(Oc2cccc3ncccc23)cc1Cl 231098144 FMQAPXJXRCUXHZ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1nccc(C#N)c1Cl 232754234 LODNAXXDJSXXHI-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCCn1ccc2cc(C#N)ccc21 232941953 NJASPSOLTVPDCF-UHFFFAOYSA-N 254.377 4.873 30 10 CJEE CCCCN(c1ccccc1)c1ccc(C)cc1C#N 233004991 XKDWAGZAPHIZHQ-UHFFFAOYSA-N 264.372 4.805 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(OCC)cc1 233609084 BTQRHKSDMAZCRD-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(F)c1F)C1CCCCC1 234039179 IPXNNGXXINGDNA-ZDUSSCGKSA-N 278.346 4.607 30 10 CJEE C=CCCCCC[C@H](NC)c1ccnc2ccccc12 234443116 FKHAZPDZXRKKER-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=CCCCCC[C@@H](O)c1cc2cc(C)ccc2o1 235881987 PXVQZUOVYZIIDI-OAHLLOKOSA-N 258.361 4.911 30 10 CJEE Cc1cc2oc(C#N)c(C3CC3)c2c(C)c1Br 236021212 SZSXRGRGYYGCRB-UHFFFAOYSA-N 290.160 4.561 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)c1ccccc1 251423221 HIGVSNAIAUASGA-YOEHRIQHSA-N 298.817 4.640 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1C(F)(F)CC#N 258939699 CHNRQPSXLVULBP-UHFFFAOYSA-N 251.320 4.606 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 299991953 LQIJPHXPZPVIDL-ZACQAIPSSA-N 275.436 4.978 30 10 CJEE N#C[C@]1(Cc2cccc(Cl)c2Cl)C[C@H]2CC[C@H]1C2 300426498 GDPNPQUTKRSSQJ-ITDIGPHOSA-N 280.198 4.866 30 10 CJEE CC(C)c1ccc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 306675421 SMDVGLDQWSPZGW-HOTGVXAUSA-N 286.224 4.760 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC[C@H](C)c2ccccc21 311831032 GFUIWFXAARWVJP-YOEHRIQHSA-N 257.421 4.817 30 10 CJEE C=C(CC)CN[C@@H](C)c1cccc(Cl)c1Cl 313488351 GTBXULAWPRZKFA-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cccc2ccccc12 317025850 RZTIIECEUWSMFK-KXBFYZLASA-N 266.384 4.778 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CCC(F)(F)CC1 379927897 ZBHANRKMVMLONC-OAHLLOKOSA-N 285.422 4.620 30 10 CJEE CC1(C)CCC(C[C@@]2(C#N)CCCC(C)(C)C2=O)CC1 380554797 PZMCVOYJQIBHFJ-GOSISDBHSA-N 275.436 4.882 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)c1ccc(C(F)(F)F)cc1F 384768123 BKKSDJYCTQHOOV-QMTHXVAHSA-N 285.284 4.816 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 398076494 OWDWJWZGBZPSON-HOTGVXAUSA-N 275.436 4.869 30 10 CJEE CC[C@@H](CC(=O)C1=CC[C@H](C)CC1)CC(F)(F)F 402316706 KSAFMVIUIBVOJV-QWRGUYRKSA-N 262.315 4.671 30 10 CJEE CCCCCCCCOc1ccc(CNCC)c(F)c1 403974961 CXYSCJYAYQIBRX-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C[C@](C#N)(C[C@@H]1Cc2ccccc2S1)c1ccccc1 405683723 UUNWKTMOUHVUOA-FUHWJXTLSA-N 279.408 4.575 30 10 CJEE CC(C)c1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 512668257 UEAHUPROVVCYSG-CYBMUJFWSA-N 282.362 4.994 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 686488514 ASKVFCOUDXDKIJ-RRFJBIMHSA-N 254.414 4.510 30 10 CJEE C#CCCCCC[C@@H](O)C1CCC(C(C)(C)C)CC1 686675603 AXWWQRNALGCXNB-OFLPRAFFSA-N 264.453 4.784 30 10 CJEE CCCCCCCCC[C@H](CCCOC(C)C)NC 689426818 XSHXBHXJCAXFHJ-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(F)(F)c1ccccc1 692250144 CTGKBGHYQWVTPF-HOCLYGCPSA-N 279.374 4.503 30 10 CJEE Cc1ccc(C(=O)CC#CC(C)(C)C)cc1C(F)(F)F 693728844 AUNDMGXRNABFRS-UHFFFAOYSA-N 282.305 4.636 30 10 CJEE Cc1cccc([C@@H](C)Nc2ccc(Cl)cc2C#N)c1 695676678 VAHNJTBTUKFNBQ-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCOC2CCCCC2)C1 699955715 ZMYXAGPOJBXKRR-NVXWUHKLSA-N 266.425 4.511 30 10 CJEE CCN(C[C@@H](CS)C1CC1)c1cccc2ccccc12 701873809 XISUBGFTFPSMFW-INIZCTEOSA-N 285.456 4.622 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C(C)(C)C 702249793 BTXIWGCBVZIMFE-RHSMWYFYSA-N 271.448 4.683 30 10 CJEE CCCC1CCC(C#N)(CC(C)(C)OCC)CC1 702687118 NMOLWBSPNDIBQN-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE CCC[C@@H]1CCCCN([C@@H]2C[C@@H](CC)CC[C@H]2C#N)C1 703253512 CZVLWKWSUNUMQR-XWTMOSNGSA-N 276.468 4.607 30 10 CJEE C=CCCC(C)(C)CNCc1cc(C)c(C)cc1C 704049336 XCRLEUKXPSSMIZ-UHFFFAOYSA-N 259.437 4.694 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C)cc1Cl 710642233 RONJEWRMZYHOHY-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(C)c1Br 715720539 NUPVPHYTYZWXDF-WFASDCNBSA-N 296.252 4.620 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)CC1CC1 716297201 YUWOLRNGULRIMI-QGZVFWFLSA-N 281.484 4.994 30 10 CJEE CCCCCCC[C@H](C)n1cc(N)c(C(C)C)n1 716644167 FLLKAXIROGXXJU-ZDUSSCGKSA-N 251.418 4.510 30 10 CJEE C=CCCC(C)(C)NCc1c(Cl)cccc1Cl 717916645 PCTNUOPLSBETIA-UHFFFAOYSA-N 272.219 4.828 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@H](SCC(C)(C)C(C)C)C1 718870239 PXCDZUUWFULOII-DOTOQJQBSA-N 296.524 4.605 30 10 CJEE Cc1cc(N[C@@H](C2CCCCC2)C2CC2)ccc1C#N 723880750 DVIWJHQRCCLBFJ-SFHVURJKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 724440982 PCKVDQKOKIRJDA-CABCVRRESA-N 289.385 4.691 30 10 CJEE C=C1CCC(C[C@H](N)CSc2cccc(C)c2)CC1 724544644 MEIRGZZQPJXRRK-INIZCTEOSA-N 275.461 4.551 30 10 CJEE C=C1CCC(C[C@](C)(CNCC)c2ccccc2)CC1 724558911 LHCYZGSYOXAAHF-LJQANCHMSA-N 271.448 4.690 30 10 CJEE CC(C)(C)CCC/N=C1/N[C@H](C2CCCCC2)CCS1 725094725 DAHPUKUNSBNAQN-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE CCc1ccc(Sc2ccc(C#N)c(CC)c2)cc1 725379617 GSIJCDVZBQTUFE-UHFFFAOYSA-N 267.397 4.834 30 10 CJEE O=C(/C=C/c1ccccc1)c1cccc(-c2ccncc2)c1 741471608 BSYCZLKSLBRULV-MDZDMXLPSA-N 285.346 4.645 30 10 CJEE C=CCC[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccccc1 773067866 HRPZKVCJXRIVLD-OALUTQOASA-N 299.458 4.775 30 10 CJEE Cc1ccc(-c2nccc3c2ccn3CCCC#N)cc1C 821289968 PGLUVTCMRUMYDL-UHFFFAOYSA-N 289.382 4.624 30 10 CJEE C=CC(C)(C)CC(=O)Oc1cccc(Cl)c1Cl 1124322593 MWMVDLIPSMTQFM-UHFFFAOYSA-N 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277.839 4.703 30 10 CJEE C=CCCC(C)(C)CNC(=O)C1(c2ccccc2)CCCC1 1462037006 JYMUNLHDKDCYEC-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)CSc2ccc(C)cc2)C1 1462112887 IIVBBKRWOGCSND-BRWVUGGUSA-N 289.488 4.810 30 10 CJEE C=C[C@@H](C(=O)N(C1CCC(C)CC1)C1CC1)c1ccccc1 1464513452 LIBPBEXJOOLEQK-GXOAENINSA-N 297.442 4.526 30 10 CJEE C=C(CC(C)C)C(=O)NCc1ccc(-c2ccccc2)s1 1470441262 QHZSKPBJGXWFKR-UHFFFAOYSA-N 299.439 4.634 30 10 CJEE C=CC[C@H]1N(Cc2ccc(F)cc2F)CCCC1(C)C 1473431159 ASYUDAUKEYRRNE-MRXNPFEDSA-N 279.374 4.532 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)[C@H](O)c1ccc(C)cc1 1474600673 SGHDBTFTLJXZLL-SCTDSRPQSA-N 289.463 4.532 30 10 CJEE C=CC(C)(C)CC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1519852344 BEMIMLGXXVZRDY-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H](C)c1cc(C)ccc1C 1521472522 WFTXYYUCQSNFJP-CQSZACIVSA-N 260.377 4.510 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(Cl)s2)CCCC1 1528533868 AFMPAOAOBWTWES-UHFFFAOYSA-N 297.851 4.658 30 10 CJEE C=CCN(C(=O)c1cc(-c2ccccc2)oc1C)C(C)(C)C 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4.617 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C[C@@H]2CC[C@H]2C1 2132552126 LUZZTIPAWAISSH-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC2(C(F)(F)F)CCC2)C1 2134782271 CFNPDDPTONBYNY-ZDUSSCGKSA-N 276.342 4.895 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(OC)ccc1Cl 2138137135 OPPYICRZHMLLJV-INIZCTEOSA-N 283.843 4.883 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@]1(C)CC=CCC1 2138958956 MTSUONYWBUGQAW-MSOLQXFVSA-N 261.453 4.685 30 10 CJEE CCCCC#CC[C@H]1CC(C)(C)CC[C@H]1CNCC 2138998206 ANCZTUAJWJBHPV-IRXDYDNUSA-N 263.469 4.622 30 10 CJEE CCCCCC#CCC(=O)Cc1c(F)cccc1Cl 2139060620 VYRMDQSAVKWJRC-UHFFFAOYSA-N 280.770 4.565 30 10 CJEE CC#CCCC[C@H](NC)c1ccc(-c2cccs2)s1 2140981164 VUGWOHMYYDOREV-ZDUSSCGKSA-N 289.469 4.931 30 10 CJEE C=CCCCCCC[C@H](O)COc1ccc(Cl)cc1 2141918443 GEYJNCMBWRIUGD-HNNXBMFYSA-N 282.811 4.606 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1[C@H]2CCCCC[C@H]21 2141924453 UHZHANANGJAEEN-PIIMJCKOSA-N 263.469 4.881 30 10 CJEE C=CCCCCCC[C@@]1(C(=O)O)CC12CCCCC2 2142002394 PEJATNVDCGIOSV-KRWDZBQOSA-N 264.409 4.938 30 10 CJEE C=CCCCCCC[C@H](CC[C@H](C)CCCC)NN 2142013810 AXFGSEDQNZHHOJ-IAGOWNOFSA-N 268.489 4.951 30 10 CJEE C=CCCCCCCCC[C@H](O)CCC[C@@H](N)CC 2142404947 RSCVWEPSHYWAJB-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCCCO[C@@H](CCC)CCN 2142405208 UQDFODXQPOTUFP-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C[C@]12CC[C@](CC3(C=O)CCCCCCC3)(CC1)CO2 2144395433 ODVHKIAHIONYRW-MAEOIBBWSA-N 278.436 4.655 30 10 CJEE CC[C@@]1(C)CCSC(=NCC2(C3CCCCC3)CC2)N1 2146406050 SICNXVDBHGMLSG-INIZCTEOSA-N 294.508 4.598 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC(C)(C)C(F)F 2147032286 NJAJDOTXTQIRMA-CYBMUJFWSA-N 292.410 4.739 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C1=CCCCCC1 2147040866 USJABSMJCFMGSG-KRWDZBQOSA-N 280.452 4.948 30 10 CJEE CCCCCCCC[C@H](N)[C@]1(O)CCCCCC1(C)C 2148579250 PZXPVAFVYXISTD-FUHWJXTLSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](O)CCCC(C)C 2148610170 YAVSCJCKRKSYGZ-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@@H]1C(F)(F)F 2149082438 LTSMZUALHHNVFV-IPYPFGDCSA-N 291.401 4.936 30 10 CJEE CCCCCCCCO[C@@H]1CCC(F)(F)[C@@H]1NCCC 2151083695 OZFFDUONQBVQQF-HUUCEWRRSA-N 291.426 4.529 30 10 CJEE CCCCCCCCC[C@H](NC)c1cnn(C(F)F)c1 2154537593 IJYFARDDLJINOD-AWEZNQCLSA-N 287.398 4.679 30 10 CJEE CC1(C)CC2(CC([C@@H](O)CC#CC3CCCCC3)C2)C1 2157160989 MIVUTSXCHKOEKU-KRWDZBQOSA-N 274.448 4.538 30 10 CJEE C=C1C[C@@H]1CC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2158773537 XVBRLJSEYFHFLW-NCCNMHLXSA-N 272.432 4.908 30 10 CJEE CC(C)[C@@H]1SC(=N[C@H](C)C2CCC(C)(C)CC2)N[C@H]1C 2159240704 VRFXRPLNBZEPPA-IPYPFGDCSA-N 296.524 4.697 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(-c2ccccc2F)o1 2164106438 BRRKAGIAYRTAOA-AWEZNQCLSA-N 293.769 4.879 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)[C@H]1CCCCO1 2164113266 JZTQHILWVVRTTA-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](CC#CC(C)(C)C)NN 2164502625 QQCNBFJHFBIXNL-QGZVFWFLSA-N 280.500 4.789 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC2(CCC2)CO1 2166569160 AMHOUVVZWQEAEV-DLBZAZTESA-N 281.484 4.804 30 10 CJEE C=C1C[C@H]2CC(NC[C@@]3(C)CCCC3(F)F)C[C@@H](C1)C2 2168005229 SJWHLKDPUVPEAV-VFSICIBPSA-N 283.406 4.536 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(F)c(F)cc2F)CCC1 2168024381 UIPUUOAZUIHWAJ-OAHLLOKOSA-N 283.337 4.501 30 10 CJEE CC1CCC([C@H](C)N(C)CC2(C#N)CCCCC2)CC1 2168498455 WYYYARATWQZVMC-CGZBRXJRSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(O)[C@@]1(C#N)CCCC(C)(C)C1 2168547395 HBGLIQJUCZFWDZ-JLSDUUJJSA-N 277.452 4.674 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1csc(C2CCCCC2)n1 2169856847 PUURDHFRTFAYHQ-GUYCJALGSA-N 291.460 4.739 30 10 CJEE CCCC(C=O)(CCC)CN1CCCC(CC)(CC)C1 2172256527 QNFKNIPHMAKVOR-UHFFFAOYSA-N 281.484 4.674 30 10 CJEE C=C1CC(C#N)(Cc2ccc(-c3ccccc3)cc2)C1 2176382457 IRCOOUUMJVYRDA-UHFFFAOYSA-N 259.352 4.756 30 10 CJEE Cc1cccc(C#N)c1N(C)Cc1cc(C(F)F)cs1 2177398924 VNMRNNDMTXOWLX-UHFFFAOYSA-N 292.354 4.502 30 10 CJEE C=CC1(NCC23CC4CC(CC(C4)C2)C3)CCCCC1 2178137374 KGVKCLJSEHMMCY-UHFFFAOYSA-N 273.464 4.681 30 10 CJEE C=CC1(Nc2c(F)c(F)c(F)c(F)c2F)CCCCC1 2178139406 HMBLKNMOGXHOTN-UHFFFAOYSA-N 291.263 4.683 30 10 CJEE C=CCCCC[C@@]1(CNCC(C)C)CCOC(C)(C)C1 2179676176 DGKFPCPEGRFXQL-GOSISDBHSA-N 281.484 4.554 30 10 CJEE C=CCCCC[C@@]1(CNCCOC)CCC[C@H](CC)C1 2179681088 LKKYORXQSDWJLT-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@H](CC)c2ccccc2)C1 2182173173 NOFHNUQLASFXKT-RTBURBONSA-N 271.448 4.905 30 10 CJEE N#C[C@@]1(C[C@H]2CCCC3(CCC3)O2)CCCC(F)(F)C1 2184852364 MZSWKWQLWSNDCS-ZIAGYGMSSA-N 283.362 4.588 30 10 CJEE CCCCCCCCCCC(=O)c1cc(C)c(C)nn1 2185775443 FQEKZOHYYUKEDQ-UHFFFAOYSA-N 276.424 4.807 30 10 CJEE C=C(C)CN(Cc1cc2ccccc2nc1Cl)C(C)C 2186472662 QSVAMEYLHZQPMA-UHFFFAOYSA-N 288.822 4.675 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccn(C2CC2)n1 2186794395 GDGUWDKOZNUPMK-INIZCTEOSA-N 277.456 4.619 30 10 CJEE CCc1ccc(C#N)c(Nc2ccc(CC)c(C)c2)c1 2188845033 OEAPYWKUKRDRAM-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE N#C[C@]1(Cc2cccc(C(F)F)c2)CCCC(F)(F)C1 2189387934 OYHYMMIDSPOYEO-AWEZNQCLSA-N 285.284 4.886 30 10 CJEE C=CC1(CNCc2ccc(C(C)(C)C)cc2)CCCC1 2189510648 GWNCEXJOZLTMIQ-UHFFFAOYSA-N 271.448 4.820 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C=O)CCOC12CCCCC2 2190280928 XEPUSCPZOBVGTI-BRWVUGGUSA-N 278.436 4.511 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H](OC)C12CCC2 2190410137 RZZDVTAXMPDXJD-ULQDDVLXSA-N 281.484 4.530 30 10 CJEE CN(CC#C[Si](C)(C)C)C1CC2(CCC(C)(C)CC2)C1 2192061167 GMEPHTYKRSEDSC-UHFFFAOYSA-N 291.555 4.548 30 10 CJEE CCCC1CCC(C[C@H](N)c2cccc(C#N)c2)CC1 2193014607 FVBSEQUYZHPJCA-JMLCCBQJSA-N 270.420 4.555 30 10 CJEE N#CCCN(CC1CCCC1)[C@@H]1CCC12CCCCC2 2195617459 PBOSBYCSGDRBBH-QGZVFWFLSA-N 274.452 4.505 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1ccc(C(F)F)o1 2196172289 RLDSLNRQYGDHQS-CYBMUJFWSA-N 283.362 4.842 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc([C@@H]2C[C@@H]2C)o1 2196175742 ATXKSZDFPZZVAS-XHSDSOJGSA-N 273.420 4.637 30 10 CJEE C=C1CCC(C[C@]2(O)CCCCC[C@H]2C(F)(F)F)CC1 2196504949 UCPUZXQQTXPZOC-HUUCEWRRSA-N 290.369 4.997 30 10 CJEE CCCCCCCCN(C)CCOc1ccccc1C 2196714700 LVMLWZBCBSGAGT-UHFFFAOYSA-N 277.452 4.666 30 10 CJEE C#CC[C@@H](CN[C@H](CCCC)c1ccccc1)C1CC1 2196817381 ZWEZIUFEXBHADR-RBUKOAKNSA-N 269.432 4.557 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H]1CC[C@H](C)CC1)C1CC1 2196837167 OYISLVJGRLVHSV-OWYHZJEWSA-N 275.480 4.621 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1scc2c1CCCC2 2196859091 QWSCJYSRNJEURF-PBHICJAKSA-N 289.488 4.717 30 10 CJEE CC(F)(F)CCCC[C@]1(C=O)CCOC12CCCCC2 2201541179 XCFSIANKURJKRH-OAHLLOKOSA-N 288.378 4.511 30 10 CJEE C=CCCCCCOc1cc(C)ccc1CNC(C)C 2204626931 XUCHNYZVNQWJBA-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE C=CCCCCCCn1ccc2cc([N+](=O)[O-])ccc21 2206884520 HOSRBEFHZFLBOR-UHFFFAOYSA-N 272.348 4.686 30 10 CJEE C=CCCCCCCCCCN(C)CC[C@@H]1CCCO1 2207383007 YFNWZGIOHIIBLI-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCN[C@](C)(CC)CC(=O)O 2207393556 VWYNQJBJZARXSQ-QGZVFWFLSA-N 283.456 4.526 30 10 CJEE C=CCCCCCCCCN[C@H](C)c1c(C)noc1C 2207397906 WVABTWZRXUWNGY-CQSZACIVSA-N 278.440 4.859 30 10 CJEE C=CCCCCCCCCC(=O)C1(CC)CCNCC1 2207403697 JRWNCMXGTQQGKW-UHFFFAOYSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCCCNCCCN(CC)CC 2207405379 RONPAZCQJCPQNK-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1ncoc1CC 2207405516 SISILYPULVSPQA-OAHLLOKOSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCCCC[C@@](C)(O)[C@H]1CCCCN1 2207428414 XVSLZWOQGPUICL-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)c1ccc(Cl)cc1C 2207447671 HGSQWUFGLGHDST-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@](C)(N)C1CCCC1 2207451715 YWQSTIAOVZVRAT-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(F)c(Cl)c1 2213216471 NWPOVGUFEAJZCY-ZYHUDNBSSA-N 253.748 4.768 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(C)s1 2214613766 QTTOZPNPALHMBY-AWEZNQCLSA-N 251.439 4.973 30 10 CJEE C#CC[C@@H](C)CSc1nc(-c2ccccc2)cs1 2218835833 SGXLDYJCIBOIAL-GFCCVEGCSA-N 273.426 4.562 30 10 CJEE C=C(C)[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2220761684 OYTSMHZQMSTFDT-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE CCCCCCCCCCO[C@H](CC)[C@@H](C)NC 2223228118 UBCGWPFKLRMBCO-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCOc1csc(CN)c1 2223230128 ARWAAVABXVAUSG-UHFFFAOYSA-N 269.454 4.726 30 10 CJEE C=C[C@](C)(CC[C@H](C)C(F)(F)F)CN[C@H](C)CC 2223558636 LFRBETDDYZDKFT-YNEHKIRRSA-N 265.363 4.545 30 10 CJEE CCCCCCCC[C@@](C)(O)c1sccc1OC 2223843375 OMWPDGUHXWIOLD-OAHLLOKOSA-N 270.438 4.715 30 10 CJEE CCCCCCCC[C@H](C)NCCC1SCCS1 2223847339 CXOUPGFZNKYGBF-AWEZNQCLSA-N 289.554 4.911 30 10 CJEE C=C([C@@H](Cc1ccc(F)c(Cl)c1)NCC)C(C)(C)C 2225125524 XEFJPMQEMROSGV-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](N)C#CC(C)(C)C)CC1 2225432847 BIPJGERFMOKEQG-BRWVUGGUSA-N 263.469 4.750 30 10 CJEE C=CCCCCCCC[C@]1(N)CC[C@@H]2[C@H](C1)C2(F)F 2227269842 CCKXMYUQHDHSBI-ILXRZTDVSA-N 271.395 4.666 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1CF 2227275298 MCJCGIMEXCHZOC-BBWFWOEESA-N 269.448 4.877 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@H](C)C1CCCC1 2227276613 SPMZYAKPQGZXJP-DOTOQJQBSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NC 2227281262 FYYRKJJUMQQKIT-HOTGVXAUSA-N 287.428 4.892 30 10 CJEE C=C1CC(C[C@@H](N)c2ccc(Cl)c(C(F)(F)F)c2)C1 2228035129 NDDGBYQBKVDHPG-CYBMUJFWSA-N 289.728 4.715 30 10 CJEE CCCCCCCCCC[C@]1(O)CC[C@@H]2[C@@H]1C2(F)F 2230356739 QBKGMIJEDWFTSS-ILXRZTDVSA-N 274.395 4.923 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)CC1(C)CC2(CC(F)(F)C2)C1 2230619540 XVTKVXUGAYIORV-DOMZBBRYSA-N 267.363 4.922 30 10 CJEE CCCCCCCCCOC[C@@H](NC)c1ccsc1 2230987297 BRFIITOAUZQINR-MRXNPFEDSA-N 283.481 4.776 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@@H](C)CNC1CC1 2230992413 MMFYPTATZXBLBS-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)C1(C)CC1 2231027043 URCXHKWMNBDWPS-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CO[C@H](C)C1 2231906636 RLNICDSXKCIVKB-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2occc2c1 2232381948 OXXSKYCOZAVDIX-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE CC(C)=CC[C@@H]1CCCN([C@@H]2CCCCC[C@H]2C#N)C1 2233295300 QVANTMNWRWFPGZ-OKZBNKHCSA-N 274.452 4.527 30 10 CJEE C=CCCCCCCCCOc1cc(C#N)cc(C)n1 2234040219 FLECHPGLPJEPGJ-UHFFFAOYSA-N 272.392 4.557 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@@H](NCC)[C@@H]1C 2234043848 SCWPSYLYUYSSDB-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCOC[C@@H](NC)C1(C)CCC1 2234048676 ONNYRGPDQUFDDC-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1scc(C)c1C 2234217027 ONQFJNRMRRPYGX-IAGOWNOFSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC2(CCOCC2)C1 2235518511 HNWCOUQBSYFPEX-SFHVURJKSA-N 280.452 4.615 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)C(CC)(CC)CC 2235525887 FPMUXNPNMGUADM-DLBZAZTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cnc(Cl)n1C 2235540080 SUFOKUPBIRUXTM-CQSZACIVSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCC[C@@H](O)c1snnc1C(C)(C)C 2235542083 OKYPKCAFLOPHNN-CYBMUJFWSA-N 296.480 4.786 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(Cl)c(OC)c2)cc1 2235851833 JFPCBIYYKWDMRL-GFCCVEGCSA-N 285.774 4.503 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2sc(C)c(C)c2C)C1 2236833669 OSGDZWJDQMTECQ-PVAVHDDUSA-N 291.460 4.817 30 10 CJEE CC1=CC[C@](C)(CN(C)[C@H]2CCCCC[C@H]2C#N)CC1 2237287338 VDRIPZGPYSRQPO-BZSNNMDCSA-N 274.452 4.527 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(N)cc(OC(C)C)c1 2239495848 UOIJXLIQRHQXFQ-HNNXBMFYSA-N 277.408 4.570 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H]1CNCC 2239547886 BXSBZTPTHRHGOO-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CN[C@@H](C#Cc1cccc(Cl)c1)CCC1CCCCC1 2239557884 AEGNEJLCYCEFQB-GOSISDBHSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1COCCC1(F)F 2240617365 DNCUDTSOPFXEQB-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@H](C)NCCCSC(F)F 2246381383 JQOSVXJFGPZRIG-LBPRGKRZSA-N 267.429 4.671 30 10 CJEE C=CCCCCCCCSc1nccc(Cl)n1 2250014849 CLODPNOUSJJCOP-UHFFFAOYSA-N 270.829 4.749 30 10 CJEE Clc1ccc(Cl)c(NCC#CC2CCCC2)c1 2251486146 BKOZNGFDTLHFCE-UHFFFAOYSA-N 268.187 4.599 30 10 CJEE C=C(C)CCC(=O)c1sc(C(F)(F)F)cc1C 2252683570 GOISVZKMMPPSRM-UHFFFAOYSA-N 262.296 4.614 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@H]2C(F)F)CCC12CCC2 2257842561 UPLJTGQVFJLIAT-LALPHHSUSA-N 253.336 4.532 30 10 CJEE C#C[C@H](c1cccc(Cl)c1Cl)N1CCCCCC1 2258112406 KEQHMTFNFXWACY-CQSZACIVSA-N 282.214 4.544 30 10 CJEE CCCC[C@@H](CC)OC[C@H](CS)c1ccccc1 2258818124 OOQURPPQJIAVDA-HZPDHXFCSA-N 266.450 4.685 30 10 CJEE C=C[C@H](C)CCN(C)CC[C@@H](C)CCCC(C)C 2260384970 FHUHXTLSQXRPAJ-IRXDYDNUSA-N 253.474 4.983 30 10 CJEE CSc1cccc(SC2CC3(CCC3)C2)c1C#N 2260473801 ISPZCAUYNXEDPR-UHFFFAOYSA-N 275.442 4.705 30 10 CJEE CCCCCCC[C@H](CC(CC)CC)OCCN 2262556677 DPDSKBRLEVTTKZ-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE N#CC1(Sc2ccc(F)cc2)CCCCCCC1 2263179585 SGIGQAHPWZGAPL-UHFFFAOYSA-N 263.381 4.924 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1csc(C2CC2)c1 2267901734 WLCPGGYIEFJSIC-ZBFHGGJFSA-N 275.461 4.850 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)CC1CC(C)C1 2268478735 ASNAYXQCSGURPS-LADRWXRNSA-N 285.497 4.996 30 10 CJEE CC(C)C(C)(CNc1cc(Cl)ccc1C#N)C(C)C 2268553446 CZJGLKOIVMRPIK-UHFFFAOYSA-N 278.827 4.942 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCCC12CC2 2268727921 IIVGOEKUUNLYAC-HNNXBMFYSA-N 258.405 4.522 30 10 CJEE O=CC1(CCCCCCCCCCCO)CCCC1 2271230677 UATULIFCESRTCB-UHFFFAOYSA-N 268.441 4.639 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@](C)(F)C(F)(F)F 2271786052 SKNCNXYJVRIAEW-QWHCGFSZSA-N 283.353 4.782 30 10 CJEE N#Cc1cc(F)cc(CSCC23CCC(CC2)C3)c1 2274346651 ALUUYJZWLQUMOK-UHFFFAOYSA-N 275.392 4.511 30 10 CJEE CCCC[C@@](C)(C=O)Cc1cccc(C(C)(C)C)c1 2274504477 PWLKMGUPJFONBO-GOSISDBHSA-N 260.421 4.922 30 10 CJEE CCCCCCC[C@](CC)(CCC)OCCC(=O)O 2274994928 WVAPQDNPASCVJC-INIZCTEOSA-N 272.429 4.787 30 10 CJEE C=CCCCCC[C@@H](CCCCCC)OCC(=O)O 2275331334 WAHSYXSLMYXCRQ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(CC1=CCCC1)OCCN 2276219774 JEKLTSKNNNOVNG-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=CC[C@H](C)[C@](C)(CCCCCCCC)OCCN 2277384466 QQQJMQIAEGSYNV-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)CC(C)(C)C(C)=O 2278129304 IBZBZDVELQMNHD-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@H]1CCC1(C)C)NCC 2280981572 VEAIZRMMFKPIJJ-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE CC(C)(C)C#CC=CCC1(N)C[C@H]2CCCCC[C@@H]2C1 2284092670 ONFBITSVTWIPKJ-IAGOWNOFSA-N 273.464 4.670 30 10 CJEE 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284.440 4.809 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCCCC12CC2 2292789952 KGKZINUEIHJRKJ-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1ncc(C)s1 2293021425 DOTFCDMNOZXIPU-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE C=CCCCC[C@@H](OCCCN)C1(C)CCCCCC1 2293283914 QUGNMLKVCUDIEQ-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccc(CC)s1 2293828573 NWKLSGSQNXBOEN-MRXNPFEDSA-N 295.492 4.854 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(Cl)c(C)c1 2294027303 QODHZLIQLHBYAR-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1c(C)csc1C 2294477982 DWDOGNUEKFMKEC-QGZVFWFLSA-N 297.508 4.916 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H]1[C@H](C)[C@H]1CC 2295601256 MSUZROCIGMIMFT-KONPQCLYSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C1CC(CC)C1 2295683213 YQMRAQIKPYPGSC-OPQOLIRYSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CC(C)(COC)C1 2295688541 HBVYQZNOFPCBEJ-WWDZGPRUSA-N 283.500 4.920 30 10 CJEE Cc1cc(C)c(C=CC(=O)C=Cc2cccs2)c(C)c1 2296887367 MBHCIXVITCMMBZ-UHFFFAOYSA-N 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CCc1sc(-c2ccc(Cl)s2)cc1CC#N 77098010 VAARWWVFDPQKSW-UHFFFAOYSA-N 267.806 4.758 30 10 CJEE CC1(C)CC(C#N)(Sc2cccc(Br)c2)C1 90247906 RPRFEPHTKGGRPT-UHFFFAOYSA-N 296.233 4.624 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1ccc(F)cc1F 94588923 OCNOVAVSAWLTRY-VIFPVBQESA-N 276.417 4.649 30 10 CJEE C=CCCCOCc1ccc([C@@H](C)CNCC(C)C)cc1 97811232 QPMYIPURKUDRNB-KRWDZBQOSA-N 289.463 4.519 30 10 CJEE CC#C[C@H](C)[C@H](C)c1c(C)cc(OCC)c(C)c1C 107638852 UUOMRBYXQURPDE-JSGCOSHPSA-N 258.405 4.773 30 10 CJEE CCC#CC[C@H](C)c1ccc(OCCC)c(C)c1C 107643753 BBTIJYXCJZOXFS-AWEZNQCLSA-N 258.405 4.999 30 10 CJEE CCCCCCCCOc1ccc(CN)cc1Cl 109685600 QAYJNSRMYSEJDY-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE CCCCCCCO[C@@H](CNC(C)C)c1cccc(F)c1 110067826 YANSZOVZIHCFRY-SFHVURJKSA-N 295.442 4.852 30 10 CJEE CCCCCCC[C@H](CN)Cc1ccccc1Cl 110181805 PVAZGWAWRBYQMW-AWEZNQCLSA-N 267.844 4.818 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc3ccccc3c2)c1 110257169 WLGGMQJCVBGDQD-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 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30 10 CJEE N#Cc1ccc(N)c(Oc2ccc(Cl)c3ccccc23)c1 124549089 YYDCMIWGLRLFBW-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCCCOc1ccc(F)cc1[C@@H](C)N 125900407 DHUUBZFWWDRVBL-CQSZACIVSA-N 281.415 4.975 30 10 CJEE CC(C)CCCCNc1ccc(C#N)cc1Br 135564765 RELQCFZXKWBSFJ-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE Cc1ccc(/C=C2\CCCC(C(=O)C(F)(F)F)=C2O)cc1 136804555 FGZKYMOWZWUACO-FMIVXFBMSA-N 296.288 4.506 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnn(C)c1C 139405509 GWLFOPKVAUSYTQ-GOSISDBHSA-N 293.499 4.910 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](OC)C(C)(C)C 158205891 PZUJVTUNDIHCTA-CABCVRRESA-N 258.446 4.549 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cnnn1CCC 158608287 MENZTEUVILEUTC-KRWDZBQOSA-N 295.471 4.642 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CC(C)(C)OC1(C)C 160106656 IFIBODKNPYNPJA-HUUCEWRRSA-N 270.457 4.692 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(CC#N)cc2)c2ccccc21 163726562 IGAZENLMXHWRPO-IFXJQAMLSA-N 276.383 4.803 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCO[C@H]1C 165090684 KCAJSOUYMQOITI-LSDHHAIUSA-N 254.414 4.511 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)cc(Cl)c1 167774082 KNMJVWCLPZIJQZ-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 226593891 WANXLJHTACIILJ-USWWRNFRSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CNC1CC1 229128773 UNXRZNMWJYBXMJ-KRWDZBQOSA-N 282.516 4.637 30 10 CJEE CCCCCCCCCc1noc(CCC)c1C(=O)O 232961517 IXFYZCFOANIATI-UHFFFAOYSA-N 281.396 4.618 30 10 CJEE Cc1cccc([C@H](C)Nc2ccc(C#N)cc2Cl)c1 235567374 AGMCSBFXTSZOMS-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1cc(Cl)ccc1CNc1cc(Cl)ccc1C#N 235797887 KUBWLRXHYRVDOW-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE Cc1cccc(COc2ccc3ccccc3c2C=NO)c1 251066925 MVMWVIXDKXUHPN-UHFFFAOYSA-N 291.350 4.535 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1C[C@H]1c1ccccc1 253053389 XBJOYUYNBCFLOK-BZSNNMDCSA-N 257.421 4.515 30 10 CJEE CC1(C)CCC([C@H](C#N)Nc2cccc(Cl)c2)CC1 311551596 IVFKJWJEENABPT-HNNXBMFYSA-N 276.811 4.860 30 10 CJEE Cc1c(C2=CC(=O)C[C@@H](C)C2)ccc2ccccc12 384677511 FMABYIBBBSLEHY-LBPRGKRZSA-N 250.341 4.531 30 10 CJEE 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C=C(CC)C[C@@H](NCCC)C1CCC(C)(C)CC1 97208871 TYFOEUIJHMIUEZ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@H](Cc1cccc2ccccc12)NCC 97220052 BLHGJEUXYPEOIB-GOSISDBHSA-N 267.416 4.717 30 10 CJEE Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1C#N 104005493 JGZUMTPQMDCBNE-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2ncccc2c1 104147853 HIUAGEZULCBRBD-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCC[C@@H](NC1CC1)c1nc(C)c(C)s1 104447104 LVWJDLUMNWFHSB-OAHLLOKOSA-N 280.481 4.914 30 10 CJEE COc1c(C(C)C)cc(Cl)cc1[C@H](C)CCC#N 107631764 NJGVAAPSDGLESE-LLVKDONJSA-N 265.784 4.879 30 10 CJEE CCCCCCCCCC[C@@H](N)Cc1nc(C)cs1 109742802 WAGLVXYUIQMXOZ-OAHLLOKOSA-N 282.497 4.852 30 10 CJEE CCCCCC[C@H](C)Nc1ccc(C#N)cc1Cl 110449746 IIEPWTRMEMEYGM-LBPRGKRZSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CN1CCCC1 113012402 UFJFTJQUORZMJP-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ccncn1 113829136 PZKKQGYERMWCHA-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CCCCCCCC[C@H](N)[C@@](C)(CC)N1CCCCC1 118163212 FVMSYWFKFBRRGW-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@@H](N)C1(N(C)C)CCC(C)CC1 118182672 ABPCXEWTKKBOFB-LXPRWKDFSA-N 282.516 4.575 30 10 CJEE CCCCCCCCN1CCCCC[C@@H]1CC(C)=O 122456766 KDOWFOZMNSMEHS-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCS[C@H]1C 124711977 JAIBEFBVCJCRPA-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE Cc1cccc2cc(C3=CC(=O)CC(C)(C)C3)oc12 129055490 AQZVDBPDTKJWMP-UHFFFAOYSA-N 254.329 4.514 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC[C@@H]1O 147893839 BPSUMOWYJPODAK-SJORKVTESA-N 270.457 4.695 30 10 CJEE Cc1ccc([C@@](C)(O)C2(C#N)CCCCCCC2)cc1F 156836805 JZDADEUKHDTMCI-QGZVFWFLSA-N 289.394 4.596 30 10 CJEE CCCCCCCCCCC(=O)CCCCCN 166890761 NZDKIHZFPSBZAS-UHFFFAOYSA-N 255.446 4.605 30 10 CJEE C[Si](C)(C)C#CC1(O)CCCCCCCCCCC1 195853290 QARPVXJTPBZDLK-UHFFFAOYSA-N 280.528 4.903 30 10 CJEE CCCCCCC[C@](CC)(CCCC)CC(=O)NO 207009996 HCOAPURSRFJSTE-INIZCTEOSA-N 271.445 4.829 30 10 CJEE CCCN(CCC)[C@@H](C#N)c1ccc(Cl)cc1Cl 212986018 WSDVQGQYQNCDJR-AWEZNQCLSA-N 285.218 4.680 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1C#N 215060948 IZRLGIJTAMOTMF-GDBMZVCRSA-N 276.811 4.838 30 10 CJEE Cc1cccc(C)c1CC1(C#N)CCC(C)(C)CC1 215779935 SGQXQBUWZFXBTG-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE Cc1sc(C2C3CC4CC(C3)CC2C4)cc1CC#N 217138035 QRZUBKISISRAHZ-UHFFFAOYSA-N 271.429 4.662 30 10 CJEE CCCCCOc1ccc(C#Cc2ccc(C)cc2)cc1 219178751 PHQNZADEJUANNM-UHFFFAOYSA-N 278.395 4.964 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1cc(F)cc(C#N)c1 226586067 DIIMKPIIMVSCBU-BVGQSLNGSA-N 289.394 4.675 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 228817573 TYEYEBYZOJJKTP-GHMZBOCLSA-N 272.219 4.999 30 10 CJEE CCCCCCCCC[C@H](O)c1csc(C)n1 229268520 BPZQQHCVMGQUBU-AWEZNQCLSA-N 255.427 4.626 30 10 CJEE C#CCCCCNC(=O)CCCCCCCCCCC 229645006 UNDBCDTYPNAQOD-UHFFFAOYSA-N 279.468 4.827 30 10 CJEE C=C(C)C[C@H](NCC)C1CCC(CCCC)CC1 229736003 RDRZRCJAJPOYOI-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1SC 232949572 WYMUSQZBZNSOCK-JYJNAYRXSA-N 271.514 4.999 30 10 CJEE CCCc1c(-c2scc(C)c2Cl)sc(C#N)c1N 233399413 JXNVTVZGBZUXCQ-UHFFFAOYSA-N 296.848 4.845 30 10 CJEE C=CCCCCC[C@@H](N)CSc1cccc(C)c1 235802320 ZXAOMMQZGHBYLE-OAHLLOKOSA-N 263.450 4.551 30 10 CJEE C=CCCCCCC(=O)Cc1cccc(Cl)c1 236032737 BDAGSDCBQVBFHD-UHFFFAOYSA-N 250.769 4.588 30 10 CJEE CCCc1nccn1[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 249719090 AZSQJEJJUHROLL-ARFHVFGLSA-N 287.451 4.753 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)(C)C)NCC[C@H]1C 250796119 AWEGZKIHSIUNPA-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCC[C@H](N[C@H]1CCCCC[C@H]1C#N)c1cccs1 251129629 JLCGAJWAHWXYRQ-KKUMJFAQSA-N 276.449 4.651 30 10 CJEE CC1(C)CCC[C@@H](c2ccc(C3(C#N)CC3)cc2)C1 260587362 KGHCHDJTUAGZBC-OAHLLOKOSA-N 253.389 4.926 30 10 CJEE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](O)CC#CC(C)(C)C 312211131 ALBQAKKTPBVYEV-SZMVWBNQSA-N 272.432 4.617 30 10 CJEE O=CC1(Cc2ccccc2Br)CCCCCC1 316568680 KQYLSHJZAVGKBZ-UHFFFAOYSA-N 295.220 4.531 30 10 CJEE CC1(C)CCC(C[C@]2(C#N)CCCC(C)(C)C2=O)CC1 380554801 PZMCVOYJQIBHFJ-SFHVURJKSA-N 275.436 4.882 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc2ccsc12 386318387 CFOZHQDYMDAFOM-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCCCCCCCCC[C@@H](O)c1c(Cl)cnn1C 394628937 YBLVLSAUNHLMHC-CQSZACIVSA-N 286.847 4.638 30 10 CJEE C=C(COC(C)C)[C@H](CCC1CCCCC1)NCCC 395539403 LKTLCDDBPRXXPT-SFHVURJKSA-N 281.484 4.696 30 10 CJEE Fc1c(SC(F)(F)F)ccc(C(F)F)c1F 396113782 TYHAQGYHOIIDSW-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 398201658 WKGUJYGSVBGYLQ-GJZGRUSLSA-N 257.421 4.571 30 10 CJEE C=CCCC[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O 398213823 KUNFLZPSYMEWJL-DYVFJYSZSA-N 275.436 4.720 30 10 CJEE CCCCCCCC(=O)CCN(CC)C(=O)OC(C)(C)C 405522128 XLDYHMXEFSWEGJ-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCCC2(CCC2)C1 505011241 SCHPPRYZKUUKAL-UHFFFAOYSA-N 298.430 4.603 30 10 CJEE C[C@H](Nc1cccc(Cl)c1)c1ccc(C#N)cc1F 512642241 NNNXEEFTIYIMLI-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)C2(C(C)C)CCC2)CC1 686138698 MLELLCOAFAAATH-AQFXKWCLSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC[C@]1(C#N)C[C@@H](C)O[C@@H]1C 686417998 KMXQQAHVRDFFNL-BZUAXINKSA-N 251.414 4.834 30 10 CJEE C#CCCCCC[C@@H](NCC)c1csc(C(C)C)n1 686701294 PZMMQPCXAVENKQ-CQSZACIVSA-N 278.465 4.501 30 10 CJEE SCC1(CN2C[C@@H]3CCCCC[C@H]32)CCCCCC1 687975548 BKRAXNUWWZUFLS-JKSUJKDBSA-N 281.509 4.521 30 10 CJEE C=CCCCCC[C@@H](NN)c1cccc(C(C)(C)C)c1 691665037 JLRXUZDZFXLSRE-QGZVFWFLSA-N 274.452 4.625 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1csc(C(C)C)n1 695381142 JWULQXFIGWAGSB-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE C=CC[C@@H]1CCCCN(c2ccc([C@H](C)N)c(Cl)c2)C1 703687525 AFGKYXQTBBHUEZ-UONOGXRCSA-N 292.854 4.542 30 10 CJEE CCCCCCC[C@@H](C)Nc1cncc(Cl)c1 709198239 UEMCDISDQKFTLX-GFCCVEGCSA-N 254.805 4.896 30 10 CJEE C=C(COCCC)[C@H](C[C@H](CC)C(C)(C)C)NCCC 711115385 VZWKVWGOCDWZDS-IRXDYDNUSA-N 283.500 4.800 30 10 CJEE C=CC[C@@H](C)[C@@H](CSc1ccc(Cl)cc1)NCC 715799861 PWNNQXYYFLAWBE-IUODEOHRSA-N 283.868 4.622 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cscc1C(F)(F)F 717193477 OSSDAJNFPUHNDV-JOYOIKCWSA-N 277.355 4.630 30 10 CJEE CCSc1cccc(NCC2(C)CC(F)(F)C2)c1C#N 720996809 LKSHQGJYGFPBDO-UHFFFAOYSA-N 296.386 4.518 30 10 CJEE C[C@@H]1CC(C#N)(CC2CCC(C)(C)CC2)C[C@@H](C)O1 724280163 BYFFGYKYPCIGJP-ZIAGYGMSSA-N 263.425 4.690 30 10 CJEE C=C1CCC(COc2cc(F)ccc2Cl)CC1 724573738 SNCUHXWQKFTAAL-UHFFFAOYSA-N 254.732 4.604 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCCC23CC3)CC1 724599281 FIQOVQQMYOCPRY-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C)CC[C@@H]2CNCC)CC1 724616750 MRDPOFQXFMENJX-JQHSSLGASA-N 263.469 4.785 30 10 CJEE C/C(C=NNc1nc2ccccc2s1)=C\c1ccccc1 1084537513 ZBSZKSPLYBFYCD-OWISRODJSA-N 293.395 4.798 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C 1129235257 DYYGXGYVBSWPLR-XNBKMWJZSA-N 291.479 4.724 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCC[C@H](C(C)C)C2)c1 1200213849 NTMXJHVCXDWOOK-ROUUACIJSA-N 287.447 4.556 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCCC(C)(C)C1 1234375443 LUKAGNIZPCMINW-MRXNPFEDSA-N 294.483 4.781 30 10 CJEE C=C(CC(C)C)C(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 1297682104 CEUXJXNCTVXABO-MAUKXSAKSA-N 285.431 4.589 30 10 CJEE C=CCCCCCN1C[C@@H]2CCCCN2c2ccccc21 1307805842 NMLRAQZACDTUPD-KRWDZBQOSA-N 284.447 4.612 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1 1351215696 FFTBGKPONUBXLD-UHFFFAOYSA-N 295.382 4.559 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(/C)c1ccccc1Cl 1357587087 NDVWLXUJFCMJKB-DINCDJDBSA-N 291.822 4.604 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 1360766079 FXOZUFPNICQKDP-HZPDHXFCSA-N 289.419 4.634 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(CCC)cc1)C(C)C 1434998409 NPFIWARSYLEGLR-IBGZPJMESA-N 287.447 4.809 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)c2ccccc12 1463205919 NQJVYVJMPZEHCH-MRXNPFEDSA-N 293.410 4.719 30 10 CJEE C=CCC1(NC(=O)N[C@@H](CCC)CCCC)CCCCC1 1469184058 SMYHTFJVCQRDGI-INIZCTEOSA-N 294.483 4.924 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCCc1cc(C)cc(C)c1 1474576113 JBARBWKEAJIXKI-OAQYLSRUSA-N 293.454 4.623 30 10 CJEE C=C1CCC(C(=O)N2CCc3cc(C(C)(C)C)ccc32)CC1 1518219996 MPEKNXKQHJSSCI-UHFFFAOYSA-N 297.442 4.620 30 10 CJEE 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CCCCCCCC[C@@H](NC)[C@](C)(O)C1CCCCC1 2148592738 VFALMMWGYWIPHJ-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](O)[C@H](C)CCC 2148592970 WRFUOKQDKFGEGV-FGTMMUONSA-N 285.516 4.902 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)CC1CCCC1 2149865571 VEHMLVMXCDBBTE-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CC(C)c1ccc([C@H](O)CC#CC2CCCCC2)cc1 2149872032 WUNMOOIBLOMFOQ-LJQANCHMSA-N 270.416 4.817 30 10 CJEE CCC[C@@H]1CCC[C@H]1N=C1N[C@@H](C2CCCCC2)CS1 2152919498 IKJCEQREKHZXOE-FVQBIDKESA-N 294.508 4.597 30 10 CJEE C=C([C@@H](NCCC)c1ccc(OC)c(C)c1)C(C)(C)C 2152922768 BRWNOVMHBMDTGR-QGZVFWFLSA-N 275.436 4.647 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)c1c(C)coc1C 2153057226 CIHABCCYQHNPSK-KRWDZBQOSA-N 273.420 4.521 30 10 CJEE N[C@H](CC#CC1CCCCC1)c1c(F)ccc(Cl)c1F 2154699968 IQTZJJGCIKSIMO-CQSZACIVSA-N 297.776 4.592 30 10 CJEE CCc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)cc1C 2155481958 NYUZZKGKMYAKKJ-UHFFFAOYSA-N 285.778 4.530 30 10 CJEE CCCCCCCCCC[C@@H](CN(C)CC)NCCC 2155692482 LSQOYLJYIKWASM-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=CCC[C@@H](C)Oc1ccc([C@@H](CC)NCCC)cc1 2158325416 WUOLZZBFNRYUKB-CRAIPNDOSA-N 275.436 4.871 30 10 CJEE C=C1CC(CNC(C)(C)C)(Cc2ccc(F)c(Cl)c2)C1 2159595489 STUMFQYZABGEJL-UHFFFAOYSA-N 295.829 4.746 30 10 CJEE CCc1cnccc1C1(C#N)CC(C)(C)CC(C)(C)C1 2163794026 VORKOXRFBQURRI-UHFFFAOYSA-N 270.420 4.642 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(CSC)cc2)CC1 2164098060 LZUMLTNAZRWLOW-SFHVURJKSA-N 289.488 4.947 30 10 CJEE C=CCOc1ccccc1[C@@H](NCC)C(=C)C(C)(C)C 2164110638 NPSYYNSLOUDBGM-KRWDZBQOSA-N 273.420 4.504 30 10 CJEE C=CCOc1ccccc1[C@@H](CC(CC)CC)NCC 2164128040 MNLUAINWRHVNLM-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1c(C)cc(C)cc1C 2164477980 PZYXWDCBIHTJIY-QZTJIDSGSA-N 273.420 4.755 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2ncccc2s1 2164982999 QGIPFVZRFIACIH-ZDUSSCGKSA-N 291.464 4.551 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)CC1 2166053836 YBKKZQHNMQWWAK-KEYQJZJPSA-N 284.390 4.843 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]3CCCCCC[C@@H]32)cc1 2166182718 KNDHPFQMPPMQTP-RYRKJORJSA-N 268.404 4.577 30 10 CJEE C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)c1ccccc1C#N 2168522397 FYBPZKPEMGONCV-GJZGRUSLSA-N 270.420 4.599 30 10 CJEE CC1(C)CCC[C@H](CN=C2NC[C@H](C(C)(C)C)CS2)C1 2168605317 ABTHJHFRVWACAA-KBPBESRZSA-N 296.524 4.558 30 10 CJEE N#C[C@]1(Cc2csc(C3CCC3)n2)CCCC12CCC2 2169839738 FFBWFGAOOBWKCE-QGZVFWFLSA-N 286.444 4.817 30 10 CJEE C=C(C[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1)OC 2171020393 AEFLHKXFZIGHSD-MRXNPFEDSA-N 281.484 4.757 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc2cnn(C)c2s1 2175242718 GDYICIZCPJMVAM-CQSZACIVSA-N 294.464 4.809 30 10 CJEE CCN[C@H]1C[C@H](CC#CC2CCCCC2)C[C@@H](CC)C1 2175430975 SVNYDYUXCIDOIY-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc2c(c1F)CCC2 2178076401 FRCBVMNVQMHXOE-CXAGYDPISA-N 275.411 4.567 30 10 CJEE Cc1ccc(C)c(CC(=O)C2=CC[C@@H](C(C)C)CC2)c1 2181640743 MGOQLMGYCQJGCW-MRXNPFEDSA-N 270.416 4.798 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@@H](COC)C1 2181793146 QQKBCPRWWJVDRO-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=C1CC(C[C@@H](NCC)c2cc3cc(C)ccc3o2)C1 2182163995 CQSJPVSBJIFIKV-MRXNPFEDSA-N 269.388 4.748 30 10 CJEE CCc1ccc(C#N)c(N(C)[C@H](C)C2(C)CCCC2)c1 2188830265 RUSYUDQYLCNOFS-CQSZACIVSA-N 270.420 4.526 30 10 CJEE C=CC1(CNC2CC3(CCC(F)(F)CC3)C2)CCCC1 2189509772 SKHHDVCYJLCPFD-UHFFFAOYSA-N 283.406 4.681 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1csc(C2CCCCC2)n1 2190836421 GKLMZZFGBFVEQD-CQSZACIVSA-N 292.492 4.977 30 10 CJEE CCCCCCCCCCCC[C@H](O)C12CC(CO1)C2 2193097435 PCVILLFZQNGAGT-ADKAHSJRSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCN1CCO[C@@H](C2CCCC2)C1 2195536996 JPLDPACGIFUSBH-GOSISDBHSA-N 281.484 4.628 30 10 CJEE CC#CCCCC[C@@]1(CNC(C)C)CCCC12CCC2 2196170887 DGZHZPUXWFTDKW-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCCCCCCN(C)CC1Cc2ccccc2C1 2196690527 IYEWVKAYZQRHMM-UHFFFAOYSA-N 273.464 4.694 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@@](C)(CC)CC[C@@H]1O 2196723997 OUKXZWAKQBADKC-SQNIBIBYSA-N 283.500 4.608 30 10 CJEE C#CC[C@H](C)CN(C)C(=O)CCCCCCCCCC 2196760474 CJMSJFQYVNMPSL-KRWDZBQOSA-N 279.468 4.635 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1ccc(Cl)cc1F)C1CC1 2196848140 JVYYKPNGFSDRQI-GUYCJALGSA-N 293.813 4.569 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1cc2c(s1)CCC2 2197136568 GMNSUNNJEHKXQX-GOSISDBHSA-N 283.440 4.601 30 10 CJEE N#Cc1cc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)ccc1Cl 2201126852 SVVWHOBNISEKPZ-YLQAJVPDSA-N 288.822 4.982 30 10 CJEE CCCCC#CCNc1ccccc1-c1ccccc1 2203787750 QIDXRXXNIWMRBZ-UHFFFAOYSA-N 263.384 4.959 30 10 CJEE CCCCC#CC[C@@H](NCCC)C(F)(F)C1CCCC1 2203828311 PTVINJGOFRORTG-MRXNPFEDSA-N 285.422 4.764 30 10 CJEE C=CCCCCCC[C@H](N)c1c(Cl)nc2ccccn12 2206885508 MISHXPRSODTDFX-ZDUSSCGKSA-N 291.826 4.514 30 10 CJEE C=CCCCCCC[C@H](NC)c1ncoc1C(C)(C)C 2206890129 FGICHHDBGNVZKI-AWEZNQCLSA-N 278.440 4.759 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cc(F)cc(OC)c1 2206892135 OQNIWUWABFJFOM-QGZVFWFLSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2206894430 KAVVCYXNBNVEFD-LHHMISFZSA-N 280.452 4.515 30 10 CJEE C=CCCCCCC[C@@H](O)c1cccc(OC(F)F)c1 2206897631 CHIVZGGTPVWLDM-OAHLLOKOSA-N 284.346 4.848 30 10 CJEE C=CCCCCCCCC[C@@H](N)C12CC(C)(C1)O[C@@H]2C 2207404904 VHYVBIUQJWKZJX-MRLCAUJQSA-N 279.468 4.578 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@](C)(N)C1CC1 2207404990 QKDWGPXLRWVXDU-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1cnn(C)c1Cl 2207405365 RJMZAORCPJJFTG-OAHLLOKOSA-N 297.874 4.770 30 10 CJEE C=CCCCCCCCCCN1CCCCC[C@H]1CO 2207413056 IDYQFYLOFVIPFX-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ncoc1CC 2207434312 CMENEPUKJQWMPF-OAHLLOKOSA-N 279.424 4.967 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@H]1CO[C@@H](C)C1 2207435309 GAYASWQYXVZEEE-BZSNNMDCSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@H]1CC[C@@H](C)C1 2207445166 OOTZXTGJBRVYST-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCCC)[C@@H]1CC1(C)C 2207456176 IOWGLFIYHBINBL-YESZJQIVSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@@H]1CCC 2220305196 KUEXRMKSKUTYGG-DLBZAZTESA-N 251.458 4.881 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H](CC)CC(F)F 2223590885 ANVUTLCOYCRBDD-IHRRRGAJSA-N 261.400 4.638 30 10 CJEE C[C@H]1CC[C@@](C#N)(CCC2CC(OC(C)(C)C)C2)C1 2224732517 QRXIQZMEYCKIOM-PBMMVSLJSA-N 263.425 4.690 30 10 CJEE CCCC#C[C@H](NC)C1CCC(CCCCC)CC1 2225415528 GTDXHFUVCLRYAZ-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CCCC[C@H](C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225676279 YDNULZAAARVEPK-GXFFZTMASA-N 298.213 4.996 30 10 CJEE C=CCCCCCCC[C@@H](O)c1c(F)cccc1F 2227269580 AIKQVSFLXYWZFI-OAHLLOKOSA-N 268.347 4.915 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(C)nc1C 2227273677 RUSMLKDYKAJPER-UHFFFAOYSA-N 259.393 4.798 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]1(C)C[C@H]1C(F)(F)F 2227282330 JUWYFECWXZQSBU-HZSPNIEDSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCC=C1CCC[C@H]2CNCC[C@H]12 2227290052 YGIOUCOMZUGUEX-ZWKOTPCHSA-N 261.453 4.849 30 10 CJEE CC(C)C(C)(C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227501424 NECBZFKNUKCLAK-LLVKDONJSA-N 298.213 4.852 30 10 CJEE CC#CCCC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2228034287 IERNMIGRPGVLHH-ZDUSSCGKSA-N 289.728 4.552 30 10 CJEE CCCCCCCCCO[C@@H](C)CCCNC(C)C 2230990308 NSCSNEIYTILDQA-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@@H](C)N1 2231007627 BIOHCNMPLZATAN-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](C)(N)CCC1(OC)CCC1 2231899762 KYPXQNVMPZZNLJ-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CC1CCC(C#N)(Cc2cccc3ccoc23)CC1 2232405907 UXVVWAKKIFAORP-UHFFFAOYSA-N 253.345 4.695 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CC[C@H]1C(F)(F)F 2232573566 VMFORUIEGOWBLL-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1CCCC[C@@H]1C1CCCCC1 2234695376 UZJIYMSTBLIWIY-GUDVDZBRSA-N 275.480 4.763 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@](C)(CC)N(C)C 2235512941 HMYCYSAZZIPGBY-MSOLQXFVSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(C)ccc1OC 2235514778 XURKQNHWCVIYKI-QGZVFWFLSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C(F)(F)C12CC2 2235527644 XHLFCDUFQOJJPC-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ncccc1C 2235533104 QZJHQFNGRBONJZ-QGZVFWFLSA-N 274.452 4.957 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)c1cc2ccccc2cn1 2236022004 RSSMWRBQBRZQFN-GOSISDBHSA-N 264.372 4.596 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@@H]3CSC[C@@H](C3)C2)CC1 2236716609 AZRBQWMZDLBWER-IVSAIRAKSA-N 292.488 4.717 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC12CCC(F)(F)CC2 2238029614 GGRARFXECHTQLU-AWEZNQCLSA-N 285.422 4.927 30 10 CJEE CCCCCCCOCc1cc(CN[C@H](C)CC)co1 2238969334 YSQBDSRMDGHDDL-OAHLLOKOSA-N 281.440 4.655 30 10 CJEE CN[C@@](C#N)(CSCCCCCCCC1CC1)C(C)C 2239365945 SMPMSBKKPPULEA-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](N)c1c(F)cccc1Cl 2239488721 BUWAVAGPFSVNDQ-DOMZBBRYSA-N 299.817 4.630 30 10 CJEE C=C[C@@H](CCCCC)OCC(=O)c1ccc(C)c(C)c1 2239501851 RGKRKIADSKRDHL-KRWDZBQOSA-N 274.404 4.638 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)CC(CC)CC 2239559689 SUYJMRNZILUTBK-GOSISDBHSA-N 291.866 4.886 30 10 CJEE C=CC[C@H](CCCC(F)(F)C(F)(F)F)CNC1CCC1 2240413103 RLECFWYYPYJUOM-LLVKDONJSA-N 299.327 4.689 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CC(C)C 2240562624 MYZCNGKSOUYWHI-ROUUACIJSA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@](C)(N)c1cc(C)cc(OC)c1 2240617053 ZFKZCSXLPBKQIK-SFHVURJKSA-N 277.452 4.928 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1CC[C@@H](C)C1 2240640176 NSEASARSLDNTDF-RYRKJORJSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](C)NCC1C[C@@H](C)O[C@H](C)C1 2240646354 AATOUYVKKWTNGQ-GVDBMIGSSA-N 283.500 4.919 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1O2 2240648783 LYTJXWQMBDUSCC-YYWYGQEZSA-N 281.484 4.671 30 10 CJEE C=C(C)CCCCNc1cc(F)cc(Br)c1 2244639796 VEODQSYPJPLPHZ-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE N#Cc1cccc(Br)c1SCC1=CCCC1 2246282152 YGYPBFOKKFKQKN-UHFFFAOYSA-N 294.217 4.523 30 10 CJEE C=C(C)CCCC[C@H](O)c1sc(C)c(C)c1C 2250151517 IXMGWXGUBCOPPV-AWEZNQCLSA-N 252.423 4.843 30 10 CJEE C=CCCCCCCCSC[C@@H](CN)C(C)(C)C 2259048963 LRWWHPUKFDOCHN-OAHLLOKOSA-N 271.514 4.867 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1CCCCC(F)(F)C1 2259187205 JRRZWAOODZEWBQ-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCCNCc1ccsc1C(F)(F)F 2259192279 DKMKANHTLQPIED-UHFFFAOYSA-N 277.355 4.603 30 10 CJEE CN(CCCCCCCS)CCCCC(F)(F)F 2263205269 GXCZPWMIZWPLAP-UHFFFAOYSA-N 285.419 4.531 30 10 CJEE CCC(CC)N(CC=CC#CC(C)(C)C)CC(C)C 2268821034 CFABQIDBQREVBE-UHFFFAOYSA-N 263.469 4.739 30 10 CJEE CC(C)C[C@@H](C(C)C)[C@@H](O)CC=CC#CC(C)(C)C 2268829638 IKCSNFQSRGFMAE-IRXDYDNUSA-N 264.453 4.661 30 10 CJEE C=CCCSc1cc(F)cc(F)c1CNC(C)(C)C 2271495728 PRFLQRSRWJXMCF-UHFFFAOYSA-N 285.403 4.521 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(C)cc1F 2271785387 MKKQUMSCTKFLCQ-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(C(F)(F)F)CCC1 2271837144 OXBXJIMVCVRXMD-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1CC2(CC(C)C2)C1 2272123803 TVEIWMIZBXSFLK-AYNPKXBOSA-N 263.469 4.783 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1c(Cl)cccc1Cl 2273978025 RQRRBKNINCUZSS-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@H](N)CC#CC1CCCC1 2274123725 VPSWMDNDIYMSEQ-MRXNPFEDSA-N 296.241 4.885 30 10 CJEE C=C(C)CC[C@@H](OCCCN)c1cc2cscc2s1 2276226148 YCYYTMXKHMGCET-CYBMUJFWSA-N 295.473 4.726 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1C[C@@H]1C)OCCN 2276834465 HBZRUWYSYMMOLH-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](CCC1CC1)OCCCN 2277028427 KWSZOIBPGBSZKM-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC[C@@H](O)CC 2278247175 ULKXVODTKPGWJO-SJORKVTESA-N 271.489 4.656 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2278703476 GPJIIIMWJOVXDM-LLVKDONJSA-N 288.407 4.652 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCCCC12CC2)NN 2279618071 CIWWOZHNXKRFFD-IAGOWNOFSA-N 278.484 4.705 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C(C)(F)F)ccn1 2284100839 KRUXXDIZFZPHAD-AWEZNQCLSA-N 284.394 4.944 30 10 CJEE C#C[C@H](C1CCC(C(C)(C)C)CC1)N1CCCCCC1 2285980612 KYNFDUORUMIYID-DAWZGUTISA-N 275.480 4.717 30 10 CJEE N#C[C@]1(CCCCCCCCCCO)CCC(F)(F)C1 2286808460 FOMMSJSIYXFDKS-OAHLLOKOSA-N 287.394 4.819 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCCCCCCCCCO 2286819408 LMFKJOVGTMPRAT-QZTJIDSGSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cccc(C#N)c1 2287374125 BTOFHPFONLTIRD-SFHVURJKSA-N 270.420 4.735 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@](C)(O)CCC(C)(C)C 2287389974 KTDHXSLAQLLDGX-AEFFLSMTSA-N 283.500 4.678 30 10 CJEE CC(C)CCSCC[C@@H]1CCCC[C@]1(C#N)NC(C)C 2288877409 UPUJROGIXPKVQS-DLBZAZTESA-N 296.524 4.606 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1CCCCCC1 2289698642 UFQATGDULYCVTN-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)c1sccc1C 2290867142 VZDRZMSLJZDYAO-MRXNPFEDSA-N 298.448 4.733 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)C1CCCCCC1 2291439691 LEADEDJJQFZUHO-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@@](C)(CCCCCCC)OCCC(=O)O 2291783695 SWWOPOWPTYGVHA-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@H](OCCCN)c1ccccc1 2292782035 NBINCCSUIAHPDH-SFHVURJKSA-N 275.436 4.620 30 10 CJEE C=CCCCCC1(OCCN)CCC(CC)(CC)CC1 2293274688 MCDQDAKCLSYDEW-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@](C)(CCC(C)(F)F)OCCN 2293350594 CXLWNBUVJBVIRY-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cccc(F)c1 2293361682 PXRRJHPQNBDAAX-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC(C)(C)C[C@@H]1C 2293407861 MBMKZHCVFLWWCC-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)[C@@](CC)(OCCCN)c1ccc(Cl)cc1 2293515951 LVUQXKQDUGSFSJ-RHSMWYFYSA-N 295.854 4.523 30 10 CJEE CCCCCC#CC[C@](CC)(C[C@@H](C)CC)OCCN 2294026915 NKICQQFMLPBAMT-ZWKOTPCHSA-N 281.484 4.521 30 10 CJEE C=C1CCC(C[C@H](OCCCN)[C@H](C)C(C)(C)C)CC1 2294111088 NBGUOJVEGGGPJA-RDJZCZTQSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](CC1[C@@H]2CCC[C@@H]12)OCCN 2294137017 WVURZFXZWYDWMB-BRWVUGGUSA-N 281.484 4.517 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCC[C@H](CC(C)C)C1 2294166712 MTZCRTLYNYNJCO-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C1CC(CC)C1 2294532507 VXPDFJUFCKPIEY-DAWZGUTISA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1nsc(CCC)n1 2295591443 FFMAWAVWBACLGP-MRXNPFEDSA-N 298.496 4.839 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC[C@@H]1C[C@@H]1C 2295603107 JFVLQRMNWMVUOF-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE CC1CCC(CSCC2(CS)CC(C)C2)CC1 2298945673 MUAAYPDZEQQGMD-UHFFFAOYSA-N 272.523 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C=CCCCCCCC[C@H](NCC)[C@H](C)[C@@H]1CCCO1 2235532314 JEGRJBZSZAJQOQ-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE CN(CC1(C#N)CCCC1)[C@H]1CCC[C@H](C(C)(C)C)C1 2238158511 RNNOEISCHBMLCX-HOTGVXAUSA-N 276.468 4.607 30 10 CJEE Cc1ccc(C#N)cc1OCCCCCCCC1CC1 2239344000 GSGRAGITJQZBND-UHFFFAOYSA-N 271.404 4.996 30 10 CJEE CCCCCCCCCO[C@H](c1ccccc1)[C@H](C)N 2239483226 QMIGJANYAZLWAD-WMZOPIPTSA-N 277.452 4.842 30 10 CJEE CCc1ccc(C#CC(=O)C2(C)CCCCCC2)cc1 2239741359 NEBMRXUDJQPLEH-UHFFFAOYSA-N 268.400 4.530 30 10 CJEE CCc1cc(Cl)ccc1N[C@H](C)c1cccc(C#N)c1 2240588418 ATCXRAYLZOUCRS-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1C[C@@H]2CC[C@H](C1)O2 2240614616 SGVFAHFRJRAAIK-FJIDUMEYSA-N 281.484 4.802 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(F)cc1OC 2240615895 JZXAVSVDYDHBSA-KRWDZBQOSA-N 282.399 4.792 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@H](C)CC(C)C 2240638302 SGYFSCHCCIFXDX-SQNIBIBYSA-N 285.516 4.888 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)[C@@H]1C[C@H]2CCO[C@H]21 2240666230 KYYFIYYPSQBLBI-OBVSXPTNSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCC[C@H](CO)C1 2240666750 POSBYXWIOATYDR-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE C=C(Cl)C[C@H](NC)c1cc(Cl)c(Cl)cc1C 2244402674 GWXBFPAMSZTHRW-LBPRGKRZSA-N 278.610 4.705 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(C)cc(Br)c1 2250193024 ZFZAPDVFBICMER-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE CC[C@@H](OCC1(CS)CC(C)C1)c1ccccc1 2254140226 OVKNACGUKRAVCD-OGVSOVDVSA-N 264.434 4.500 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(C)CC(C)C1 2259205887 PLJWKKSUUVLRFJ-AQFXKWCLSA-N 251.458 4.927 30 10 CJEE C=C[C@@H](C)CCNC(c1cccs1)c1cccs1 2260241254 WAKBUHBGDVCEJD-GFCCVEGCSA-N 277.458 4.701 30 10 CJEE N[C@@H](C#CC1CCCCC1)c1cccc(Cl)c1Cl 2261009494 NOBVZPZWOUUOMJ-AWEZNQCLSA-N 282.214 4.577 30 10 CJEE Cc1cc(NCC#CC2CCCC2)cc(C)c1Cl 2261100929 OVQACBMLJGKIQZ-UHFFFAOYSA-N 261.796 4.562 30 10 CJEE O[C@H](CC#CC1CCCC1)c1c(Cl)cccc1Cl 2261166530 BMCYURWIGLGDMN-CQSZACIVSA-N 283.198 4.611 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H](C)COC 2263673573 SYBWRNCWWQRYIT-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@H]2CCC[C@H]21 2263712318 NIGBQVYVFFTXMM-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCCCCC[C@@](C)(O)c1sc(Cl)cc1OC 2263764180 ORVJALKAXJFPBE-CQSZACIVSA-N 290.856 4.978 30 10 CJEE C=CCCCCCCCCC(=O)Cc1csnc1C 2265441967 BQCZTVCBIBYHCA-UHFFFAOYSA-N 279.449 4.870 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)c1cccc(Cl)c1 2265754531 CYBBCYVUPIZPOO-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#C[C@]1(C[C@H]2CC(F)(F)C23CCC3)CCC(F)(F)C1 2266258194 AJYRUGPOICFEJS-QWRGUYRKSA-N 275.289 4.531 30 10 CJEE C=CCCCCC[C@](C)(O)c1cc(Cl)ccc1OC 2268059072 DWDYJFPLRPLVPO-INIZCTEOSA-N 282.811 4.693 30 10 CJEE CC[C@H]1CCCC[C@@H]1C(=O)CC=CC#CC(C)(C)C 2268740083 AYVJXSSZOWAOPJ-HOTGVXAUSA-N 260.421 4.768 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1C(F)(F)C12CCCC2 2271781495 PMWYGHSSVHFJBH-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@]1(C)C[C@@H]1C(F)(F)F 2271784425 FUQXBTYTLMNAIB-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc2cccnc2s1 2271833647 SIFXQCTXZXGWTQ-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE C=C[C@H](C)CCNC1CCC(c2ccccc2)CC1 2273034489 VYUHUSIBXKZKAY-ZLPCBKJTSA-N 257.421 4.515 30 10 CJEE C=C1CC(CNC(C)C)(C[C@]23CCCC[C@@H]2CC3)C1 2273512638 YXHJHABWCKYSDY-SJLPKXTDSA-N 261.453 4.681 30 10 CJEE O=C(C#CC1CCCCC1)c1cc(C(F)(F)F)cs1 2273958149 QIIYYSIXIWAUFH-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C[C@@H](CC)C(C)(C)C 2273971380 LWBWNLZEUNJTJS-SJORKVTESA-N 263.469 4.621 30 10 CJEE O[C@H](CC#CC1CCCC1)c1csc2ccccc12 2274181638 RIAZJMCBKGMEEK-MRXNPFEDSA-N 270.397 4.518 30 10 CJEE CCCCCCC[C@@H](CCC1(C)CC1)OCCCN 2276506405 OKMRNALEJKIUCQ-INIZCTEOSA-N 269.473 4.661 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCN)c1cc2sccc2s1 2277125546 QPGKTGOTCBCAOC-ABAIWWIYSA-N 295.473 4.582 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](CC2CC2)CO1 2278127289 MMOIJZUSDVIUNJ-SJORKVTESA-N 267.457 4.632 30 10 CJEE C=C1CC(CNCC(C)C)(CC2CC3(CCCC3)C2)C1 2279971738 XTMGSCNTCUBMFW-UHFFFAOYSA-N 275.480 4.929 30 10 CJEE CCCCCCC[C@H](NCC)c1ncc2sccc2n1 2280355513 AJYYHARQRGRCQR-AWEZNQCLSA-N 291.464 4.702 30 10 CJEE CCC1(OCCCCC[C@H]2C[C@H]2C)CCC(=NO)CC1 2284938132 FYSZDFHNBPNUHF-CKDQBVIESA-N 281.440 4.772 30 10 CJEE C#CCCN(CCCCC[C@@H]1C[C@@H]1C)C1CCCCC1 2284948132 UUSCTEVRXOAHLW-ZWKOTPCHSA-N 275.480 4.861 30 10 CJEE C=CCCCCCCCSCC[C@H]1CCC[C@@]1(N)C#N 2287094560 QNDRGFBZQHIFNF-IAGOWNOFSA-N 294.508 4.657 30 10 CJEE Fc1ccc(C2CC2)cc1NCC#CC1CCCCC1 2287302717 IXVSQMAOXJQXAN-UHFFFAOYSA-N 271.379 4.699 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(OC(F)F)cc1 2287407906 BRWNESINONVMJB-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2287464873 DSCKNTBTKARWAV-XMTFNYHQSA-N 295.536 4.880 30 10 CJEE CCN[C@]1(C#N)CCCC[C@@H]1CCSC1CCCCC1 2288858458 PUQSFLGDUTWBQI-WBVHZDCISA-N 294.508 4.504 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@]23CCCC[C@@H]2CC3)C1 2289128577 VSUKBQLKUBSLQW-MJGOQNOKSA-N 275.480 4.929 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(C)c(F)c2F)C1 2289813559 WBMFVRCVKSQVNA-DYVFJYSZSA-N 277.358 4.926 30 10 CJEE CC(C)N[C@@](C#N)(CCCSCC1(C)CCC1)C(C)C 2290350744 FQCDYUVIWSJXAY-QGZVFWFLSA-N 296.524 4.606 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCC[C@H]1CC 2290914744 LGYXHTQXGBXINO-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=C(C)C[C@@](C)(CCCCCCCC)OCCC(=O)O 2291168099 SHFSESPREMYODL-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@](C)(CC1CC1)OCCC(=O)O 2292427830 MXLGAWBCCHWDED-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCCC1(OCCCN)CC(C(C)(C)C)C1 2292790677 DOKBTXGHNUTJCC-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@@](C)(CCC(C)(C)C)OCCN 2292840457 NFXWHQUYDKZVJT-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCC[C@H](C(C)(C)C)C1 2292882993 SYVIUONEMKSOSF-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](OCCCN)(C(C)C)C(F)F 2293411348 RNMNGGIMCIQTDD-INIZCTEOSA-N 293.442 4.762 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCCS[C@@H]1C 2293575051 DHXRYPLPWVRQGG-SJORKVTESA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@@H](CCCCC(F)F)OCCCN 2293812278 ZPNHZJDXCZIYPT-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE C=CCCCCC[C@@](C)(Cc1cccs1)OCCCN 2294034140 XPVPFMTXBZHVMM-KRWDZBQOSA-N 295.492 4.551 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)C1CCC(C)(C)CC1 2294229825 CTBVXSHLVGLVFE-DOTOQJQBSA-N 281.484 4.539 30 10 CJEE CCCC[C@@H](CC)[C@@H](C#Cc1ccccc1Cl)NCC 2295211039 FXWGNJHKTQYBLY-CRAIPNDOSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1cocc1C 2295600805 HGUDVIDSIRHHCI-QGZVFWFLSA-N 280.408 4.662 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1N(C)C 2295677427 SYJQTXXDALDXGK-BZSNNMDCSA-N 282.516 4.588 30 10 CJEE C#C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)C(C)(C)C 2295713806 IJJPSZPVEGDEEJ-MSOLQXFVSA-N 269.432 4.555 30 10 CJEE CCc1ccc(CSC[C@H](CS)CC(C)C)o1 2308061902 KLBABBMTRGOHFJ-LBPRGKRZSA-N 272.479 4.667 30 10 CJEE C=CC[C@H](C)Sc1cc(C)c(CNCC(C)C)s1 2313703201 ACSPASWPSYKFSI-ZDUSSCGKSA-N 283.506 4.859 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CC[C@H](C)C1 2321101290 IQEXYKAKMOUMRL-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](O)CCC1(C(F)(F)F)CC1 2321662190 LMWORUNIIAHKDJ-LBPRGKRZSA-N 266.347 4.831 30 10 CJEE C=CCS[C@@](C)(CCCCCCCCC)C(=O)O 2326859976 UWNSQJPKXLZBTL-HNNXBMFYSA-N 272.454 4.890 30 10 CJEE C=CCC(CC=C)OC(=O)c1cccc2ccsc12 2335109243 RWQZWZUYMSMWOL-UHFFFAOYSA-N 272.369 4.579 30 10 CJEE O=CC1(C(CC2CC2)CC2CC2)CCC(F)(F)CC1 2335221697 MCTXOPJAKWDPEV-UHFFFAOYSA-N 270.363 4.597 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cccc(C)c21 2337064691 WSQHUJNUEYWPLG-GXTWGEPZSA-N 272.417 4.551 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1c(F)cccc1Cl 2337110716 DLXJVKVQGQKECB-JMSVASOKSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(C(C)C)cc1 2337157445 QQZKKIIRMJBXBR-MSOLQXFVSA-N 257.421 4.644 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc2ccccc2c1 2338726873 FNRJXLRALUSFIS-UHFFFAOYSA-N 250.341 4.791 30 10 CJEE C=CCC(CC=C)[C@H](Cc1ccccc1Cl)NCC 2338738361 LTDFGERCGRWKHF-KRWDZBQOSA-N 277.839 4.629 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(C)c(F)c1 2338741616 OXFAWQUDWXEMOX-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C#CC[C@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341110517 NRKPDNXPSGNBPN-LRDDRELGSA-N 298.257 4.564 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1ccc(-c2ccccc2)s1 2341885322 QPRQRIPLAFGFRW-RHSMWYFYSA-N 269.413 4.642 30 10 CJEE CCCCCCCCOC[C@](C)(CC)CNC1CC1 2343158783 PIWZUBNAYXLTOM-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCC 2344346098 PXRBATIISUJTHM-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C(F)(F)F)CCC1)NCCC 2344355445 GZDWZTFWMQJLOY-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE CC1(C)CC(CS)(COCC[C@@H]2CC[C@@H]2C2CC2)C1 2345010664 NEBYLYDSOBJBOZ-LSDHHAIUSA-N 282.493 4.566 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCC[C@H](CC)C1 2352213795 DAUKKQXKVMCXBL-BBRMVZONSA-N 282.449 4.664 30 10 CJEE C[C@@H](CCS)CCOCC1CCC(C(F)(F)F)CC1 2353166807 LETBNSJIQRXPLD-PNESKVBLSA-N 298.414 4.718 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]12C[C@H](N)[C@@H]1C2 2354519291 KCDYUALZNAEMOT-BQFCYCMXSA-N 279.468 4.604 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C 2354775138 ODLUHJYEYFSHTD-XGUBFFRZSA-N 285.422 4.638 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@H]2[C@@H]3CCCC(F)(F)[C@@H]32)CC1 2355991118 PODONAJPFUGRHU-MXAVVETBSA-N 282.374 4.619 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2358287061 ZQTBJPFORRJNCZ-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H]2C[C@H]12 2358323823 YSSJREUNRIOMEV-OWSLCNJRSA-N 278.484 4.561 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]12C[C@H](CO1)C2(C)C 2359848139 UVSIVLJLWKHGHC-RYRKJORJSA-N 281.484 4.530 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)[C@H](C)CC1CCC1 2360331702 WJEKCTLHRRZGPB-NXHRZFHOSA-N 283.500 4.512 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1c(Cl)cccc1Cl 37935894 BPHDMSJXKFNNAW-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE C[C@](C#N)(Nc1ccccc1Cl)C1CCCCC1 37938347 HSLUXVSDVYALCI-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl 51635996 NHLPQJRCWZKRPC-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C(=O)NCC)cc1 59462114 YLDZRADHBFPYPQ-HNNXBMFYSA-N 290.451 4.597 30 10 CJEE N#C[C@H]1CCCC[C@H]1c1cccc(Cl)c1Cl 62625245 SSHPBTOSZQNEQT-NXEZZACHSA-N 254.160 4.791 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@H]2C#N)cc1Cl 62661311 HBUVABXJIWYIBP-STQMWFEESA-N 263.768 4.536 30 10 CJEE Cc1cc(Cl)ccc1Oc1cccc(Cl)c1C#N 70139509 PGQMRQTVOSGKQX-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCOc1ccccc1-c1cc(C#N)c(C(F)(F)F)o1 77086177 LQGKRMDXOOBOBV-UHFFFAOYSA-N 295.260 4.626 30 10 CJEE CCc1sc(-c2ccc(SC)cc2)cc1C#N 77097773 IJFLIVBHDGRHJZ-UHFFFAOYSA-N 259.399 4.571 30 10 CJEE COc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 83193757 ARARYLZNLIYMKR-MDZDMXLPSA-N 294.394 4.825 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccc(C2CC2)cc1 94518488 IRJNHGQQRVHEKT-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CC(C)(C)[C@@H](CS)COc1ccc(Cl)cc1Cl 94582983 DGAGLUXIYVMWPV-SECBINFHSA-N 293.259 4.964 30 10 CJEE COc1ccccc1SCC1(CS)CCCCC1 94589606 KNBPGAKJGCHBIE-UHFFFAOYSA-N 282.474 4.668 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)C2CCCC2)C1 94848693 RRSGUAZJZUOAEF-SOLBZPMBSA-N 276.468 4.605 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(OC)cc1 100048900 HCPSZFVYLZMIOA-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE COc1ccc(/C=C2/C(=O)[C@](C)(C(C)C)CC[C@@H]2C)cc1 100311979 KTSURIDWSSTAAA-ZWTZFDSSSA-N 286.415 4.740 30 10 CJEE CCCCCCCCNC(=O)/C=C/c1ccccc1Cl 105598568 JEOXBKCGDXSVKB-OUKQBFOZSA-N 293.838 4.830 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(Cl)ccc1OC 107581285 URBNTXNSNDDUMX-VXGBXAGGSA-N 250.769 4.502 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(F)c(Cl)c1 109715720 ISPXJMPAMSIKST-CQSZACIVSA-N 258.764 4.873 30 10 CJEE CCCCCCCCO[C@H](CNC)c1ccccc1Cl 110070455 AIENLGBIXRLGQT-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc2c1CCCC2 110251865 QHNHFNHQKKTGOP-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl 110252126 ZIPUQAAUONVPOE-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CC[C@H](C)Oc1cccc(Nc2ccc(C#N)cc2F)c1 110258067 ABJHHOZTCJMPPJ-LBPRGKRZSA-N 284.334 4.618 30 10 CJEE CCCCCC[C@H](C)Oc1cc(Cl)ccc1C#N 110261703 GIBPIKMTXBNPJT-LBPRGKRZSA-N 265.784 4.949 30 10 CJEE CCCCC1CCC(C(=O)[C@H](C#N)CC(C)C)CC1 110323599 KSRBLYKVGKGIRG-GPANFISMSA-N 263.425 4.738 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@H]1C(C)C 114063136 RMGLLZKZLJLBCY-MSOLQXFVSA-N 296.543 4.691 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1Cc2ccccc21 114383592 XMELSDRJGGNJIV-ZWKOTPCHSA-N 259.437 4.794 30 10 CJEE CCCCCCC[C@@H](NN)C1CCC(C(F)(F)F)CC1 122316401 JPBXNTYYIKNDMO-JXQTWKCFSA-N 294.405 4.548 30 10 CJEE CCCCCCCCCCCC[C@H](COCCC)NN 125893565 JUXHBGABPMLXPB-QGZVFWFLSA-N 286.504 4.556 30 10 CJEE N#Cc1cc(F)c(Nc2ccc(Cl)c(Cl)c2)c(F)c1 133934303 AKUVCHSUSZCYKZ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCNc1cc(OCC)c(F)cc1N 159131721 QKHLFXORCHXUEJ-UHFFFAOYSA-N 282.403 4.579 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc2ccccc2o1 159195499 HNEYNCXIFXOOKL-OAHLLOKOSA-N 257.377 4.830 30 10 CJEE CCCCCCCCNCc1ccn(C(CC)CC)n1 159290858 VEXYZTKNUZUBHT-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@H](C2CC2)C1 160816180 YEALFFIPRJCOBZ-DLBZAZTESA-N 251.458 4.905 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165722565 FGXIULLSPVFHNY-JKSUJKDBSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(OC(F)F)cc1 167700991 BUQFCCCKHLXDDN-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)cc1Br 203377054 LSVYDXULEAWBQZ-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CN(Cc1cccc(Cl)c1Cl)c1cccc(C#N)c1 228814231 WZIMXXXWHGRMBH-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCCCN(CCCC)C[C@@H]1CCCN1 232937819 RTEGOZHCIJUCTM-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccnc(C)c1 232952076 GPYYLJJEIKDEAU-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cncc(F)c1 232965072 PSAAFLKPUSHFDJ-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)c2ccccc12 233875551 DBLIHOCWQRAVMU-ZIAGYGMSSA-N 266.388 4.948 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(F)c(Cl)c2)c1C#N 235538030 ZMSFACNTTOQTTM-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(C)c1Cl 235806499 VOGKZDHHUREYSE-AWEZNQCLSA-N 252.785 4.818 30 10 CJEE N#Cc1ccnc(Sc2ccc3ccccc3c2)c1Cl 236053002 BZRIUQHBDFGLFZ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 249814016 RDXYZVDGFQDQCU-QBPKDAKJSA-N 264.457 4.605 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CC)[C@H]1CN 250818154 JVNATGSHAKFGDL-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@H]1CCC 250844843 ZRFIDCQMWNWPAQ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CC(C)(C#N)Cc1coc2cc(C(F)(F)F)ccc12 260334784 NTRZHWCWVFLUBL-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCO[C@H]1CC 300620904 YFTJVDKTNLAKAH-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCC[C@H](C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 302426815 RQONRVSXWAGMRV-QWRGUYRKSA-N 298.213 4.996 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CC2CCC1CC2 310923186 AUMDYXVUFHDHBQ-BHUNQDJPSA-N 251.458 4.761 30 10 CJEE CCCNC[C@H]1CCCCC[C@@H]1CC#CC(C)(C)C 311335722 KVTRIDVTGDKCGQ-IAGOWNOFSA-N 263.469 4.622 30 10 CJEE CC(C)(C)c1ccc([C@H]2CC[C@@](C)(CC#N)O2)cc1 311462971 WFTBTVUVIIOVPU-WBVHZDCISA-N 257.377 4.508 30 10 CJEE Cc1nc(Oc2ccc(C(C)C)cc2)c(Cl)cc1C#N 313191943 XGITVPLXMFGLET-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE COC(C)(C)CCC1(C=O)CCC(C(C)(C)C)CC1 317578201 MSZCMIYFPWBLSS-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE CCCCCCCCC[C@H](O)c1csc(CC)n1 328136474 PKRPVBSYGGHSDM-AWEZNQCLSA-N 269.454 4.880 30 10 CJEE CCCCCCCC[C@H](NCCC)c1csc(OC)n1 380887239 DSBCNHAKVSLCJJ-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE C#C[C@H](Nc1ccc2sccc2c1)c1ccccc1 381260542 XIEIGXFNYIKSTA-INIZCTEOSA-N 263.365 4.688 30 10 CJEE C[C@@H]1CCC[C@@H]([C@@]2(C#N)CCCc3ccccc32)C1 381885701 ZDTRASBEZYVOCK-KYJSFNMBSA-N 253.389 4.611 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cc(C)sc1C 383651909 JLFMRCMCYBMVLU-LBPRGKRZSA-N 251.439 4.618 30 10 CJEE CCCCCCCC[C@H](CCC1=CCCCC1)NN 385606836 DSOXWGANGMKRRP-QGZVFWFLSA-N 266.473 4.850 30 10 CJEE CCC[C@@H](CS)CN(Cc1ccccc1)[C@H](C)C1CC1 385685486 BOFQWCUZXSQEFI-NVXWUHKLSA-N 291.504 4.633 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 398202306 WNHYFZBGMPWYGW-NWDGAFQWSA-N 269.791 4.875 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](N)[C@H](CC)C1 399902241 KWYXNNGZDFMNOE-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](O)C1(C#N)CCCCCCC1 401952739 MIHZCWBXVMIQGL-IKGGRYGDSA-N 277.452 4.818 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513036747 KCVHPNYZVWFTBQ-OQIJWPOYSA-N 297.442 4.526 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]12CCC[C@@H]1OCC2 687388766 OMTKEQXOEWKXIP-BZSNNMDCSA-N 281.484 4.804 30 10 CJEE C/C(=C\B1OC(C)(C)C(C)(C)O1)CC1CCCCC1 689751390 ITLTWHPOCONWIL-OUKQBFOZSA-N 264.218 4.535 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC12CCOCC2 690046952 WOZRVZSLKPRSMM-MRXNPFEDSA-N 280.452 4.903 30 10 CJEE C[C@H](CC1CCCCC1)NCCCCC(C)(C)C#N 694632045 WYAMUUONKAYNKH-OAHLLOKOSA-N 264.457 4.655 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1 696063816 TWBQMYAUDZTPNU-ZJPYXAASSA-N 261.453 4.680 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@@H](C(C)C)C1 704834373 ITTCQNCGNDOXDM-SJORKVTESA-N 269.473 4.660 30 10 CJEE C=CCCCNc1ccc(OCc2ccccc2)cc1C 709214048 BHIBKHBHLAKQPB-UHFFFAOYSA-N 281.399 4.952 30 10 CJEE C#CCCCCC[C@@H](NCCC)C12CCC(CC1)C2 711143906 PTXMECPEUINQGO-LXPRWKDFSA-N 261.453 4.519 30 10 CJEE C=CCCC[C@H](NCCC)c1c(F)ccc(F)c1F 716403199 SCCNIQNSPLMOEE-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CC[C@@H](C#N)n1ccc2c(OCc3ccccc3)cccc21 720929987 ZUELITRKBNFNQE-INIZCTEOSA-N 290.366 4.695 30 10 CJEE CC[C@@H](CC1CCCCC1)Nc1ccc(C#N)cc1 720942422 FHCDROVAUKRYSB-INIZCTEOSA-N 256.393 4.719 30 10 CJEE Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C#N)c1 723627250 XAUOWUYLJVLMEF-YQQAZPJKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CNc2cc(Cl)ccc2OC)CC1 724542230 KNUDJNDBRSNWIC-UHFFFAOYSA-N 265.784 4.507 30 10 CJEE C=C1CCC(C[C@@H](CSCC(C)C)NCCC)CC1 724549012 KNKUSOZGCMQRMA-KRWDZBQOSA-N 283.525 4.880 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](C)CC(F)(F)F)CC1 724558001 GXIHOBKJSOYJQJ-GXTWGEPZSA-N 277.374 4.690 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1csc(Cl)c1 821997861 ZJWTWFGNTCXWKQ-QWHCGFSZSA-N 269.841 4.626 30 10 CJEE N=C(N=C(Cc1ccccc1)c1ccccc1)c1ccccc1 1088689554 PENJFYDEFGDROW-UHFFFAOYSA-N 298.389 4.744 30 10 CJEE C=CCCCCCCCNC(=O)/C=C(/C)c1ccccc1 1129580527 NNDHUVLWRDGRIZ-MSUUIHNZSA-N 285.431 4.733 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](SC)c2ccccc2)c1 1134626888 SLTQDWFMRHKMEZ-QGZVFWFLSA-N 297.423 4.763 30 10 CJEE C=CCCCCCCNc1nc2ccccc2cc1[N+](=O)[O-] 1163260681 RCURECZBACCXHB-UHFFFAOYSA-N 299.374 4.691 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(C(C)C)c1 1179325139 NFEDPBQJCWQSDC-UHFFFAOYSA-N 259.437 4.892 30 10 CJEE C=CCCCC[C@@H](C)NCc1cccc(C(F)F)c1 1180897843 ZQWYCASXFIWKDC-CYBMUJFWSA-N 267.363 4.849 30 10 CJEE C=C(CC)CN1CCCC[C@@H]1CCCc1ccccc1 1192434420 CAZWZJREKNQNSK-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CCCN(CCCc1ccccc1)Cc1ccccc1 1201663328 FUJKUVZIXGEXIW-UHFFFAOYSA-N 279.427 4.698 30 10 CJEE C=CCCCCCCCNCc1csc(C)c1C 1202667602 SFYJOFCQTWWCFZ-UHFFFAOYSA-N 265.466 4.981 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cnoc1C 1258227487 CDLWXBCUQGRMMV-CQSZACIVSA-N 266.429 4.602 30 10 CJEE C=CCc1ccc(OC(=O)[C@@H](CC)CCCC)c(OC)c1 1264049830 PDGIXRTYTSUGLB-HNNXBMFYSA-N 290.403 4.546 30 10 CJEE C=CCC(F)(F)C(=O)N1CCC[C@@H]1CCC1CCCCC1 1266154262 IELPJTFVXKURIU-OAHLLOKOSA-N 299.405 4.549 30 10 CJEE C=CC(C)(C)CC(=O)NCc1ccc(C(C)(C)CC)cc1 1266482079 PPMCMLAULCTDIQ-UHFFFAOYSA-N 287.447 4.593 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C(\C)c1ccccc1Cl 1357587091 NDVWLXUJFCMJKB-XTZCOPOCSA-N 291.822 4.604 30 10 CJEE C=CCCC[C@H](C(=O)O[C@H]1CC[C@H](C)C1)c1ccccc1 1435773663 DWMDNGMJBWTKSY-SZMVWBNQSA-N 286.415 4.858 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C=C1CCC(C)(C)CC1 1437623667 YGOPPDTVNUKZJE-IAGOWNOFSA-N 289.463 4.764 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 1439219183 HZMVJPRDORWXQG-CQSZACIVSA-N 297.398 4.556 30 10 CJEE C=CCCN1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 1460359420 CUYDHRIMFJSIED-FQEVSTJZSA-N 285.475 4.957 30 10 CJEE C=CCCCCCCCNC(=O)[C@H]1CCCc2ccccc21 1460677621 ZFNYAWGMUWOFJT-IBGZPJMESA-N 299.458 4.749 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1CCCc2cnn(C(C)C)c21 1462045676 OQYMMYHZANLWCZ-WBVHZDCISA-N 289.467 4.566 30 10 CJEE C=C(C)CCN(C)c1ccc(OCc2ccccc2)cc1 1473389596 QLVIIXFIKQNUJL-UHFFFAOYSA-N 281.399 4.668 30 10 CJEE C=CCCc1ccccc1N[C@H](C)CCc1cccnc1 1474469802 PXLZLVSUKBLWGT-MRXNPFEDSA-N 280.415 4.633 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@]1(C)CC1(Cl)Cl 1474533530 UWMSBOFZEIDFML-OLZOCXBDSA-N 278.267 4.685 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1519547454 SCYQUKRLBYMNNI-SNVBAGLBSA-N 286.202 4.843 30 10 CJEE C#CCCCCC(=O)Nc1cccc(Oc2ccccc2)c1 1524311186 QTLSUWOFRWPSFM-UHFFFAOYSA-N 293.366 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\C1CCCCCC1 1538890689 VUFYGWURBPRCMC-BXDGKWANSA-N 289.463 4.764 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1 1539557648 CRGIFMPNRYZMGT-PIIMJCKOSA-N 283.415 4.875 30 10 CJEE C#CCCCCCCN(CCC(C)C)C1CCCC1 1559504829 UGRRSLGLZQTZER-UHFFFAOYSA-N 263.469 4.861 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 1560503062 ZBGJNRJXQDFKGV-GOSISDBHSA-N 285.818 4.617 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 1560530731 NHOPWAMVYHKGQE-HOCLYGCPSA-N 297.364 4.930 30 10 CJEE C=CCCC1(CNCc2cccc3cnccc23)CCCC1 1560531468 BSGAEBLWWCZEOG-UHFFFAOYSA-N 294.442 4.851 30 10 CJEE C=CCCC1(CNCc2ccc(F)c(C)c2)CCCC1 1560531662 JCFGBFOOVSYFLA-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](CC)C(C)(C)C 1586140102 ODEKNFQBYCPWQH-OWCLPIDISA-N 279.468 4.700 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCc1ccccc1 1586146070 UDIRVVFYIITXGW-RTBURBONSA-N 299.458 4.651 30 10 CJEE C=CCN(C(=O)CCC1CCCCCC1)C(C)(C)C 1587535689 KOXHGARPTIFETB-UHFFFAOYSA-N 265.441 4.550 30 10 CJEE C=C(C)CCNC(=O)c1sc2cc(C)c(C)cc2c1C 1587881826 NKPHWYQAISUGRW-UHFFFAOYSA-N 287.428 4.523 30 10 CJEE C=CC[C@@H](C)NCc1cc(-c2ccccc2C)ccc1OC 1620797763 KJSWCRVBBWFZCH-MRXNPFEDSA-N 295.426 4.725 30 10 CJEE C=C1CCC(CNCc2cccc(Cl)c2OCC)CC1 1621061155 BPOYXNWHUQCQAE-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=CCCC1(CNCCC(C)(C)SC)CCCC1 1621436295 XJNHMIXATJPDIZ-UHFFFAOYSA-N 269.498 4.634 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(Cl)cc2C)c1 1627394846 JJHDOVAMGHKTTD-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C=C(CC)COc1c(Cl)cc(Cl)c2cccnc12 1641177272 YZUPMBHBPKZYDH-UHFFFAOYSA-N 282.170 4.887 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccccc1C(C)(C)C#N 1643803638 VTCCHNSCILERGR-LPHOPBHVSA-N 296.458 4.712 30 10 CJEE C=CCC1(NC[C@H]2CCC[C@@H](c3ccccc3)O2)CCCC1 1643837391 GLCZRIGFHYQMAT-MOPGFXCFSA-N 299.458 4.775 30 10 CJEE C=CCCCCN[C@H](c1ccc(F)cc1)C1CCC1 1644881299 MYOTUZSKJULXLV-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=C(C)[C@@H](CO)S[C@@H](C)c1ccc(Cl)c(Cl)c1 1651831973 XLVPLLDKKCEOQO-TVQRCGJNSA-N 291.243 4.725 30 10 CJEE C=CCN(CCc1ccco1)C[C@H]1CCC[C@H](CC)C1 1652018067 DAOFMBKOTWLFAH-IRXDYDNUSA-N 275.436 4.527 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 1652178848 AIXZGCPKGDYTIT-RZVNPHJZSA-N 275.480 4.926 30 10 CJEE C=CCCSCCN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1652787593 GANADUWOQDIANV-KBPBESRZSA-N 297.895 4.731 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1CC(c2cccc(OC)c2)C1 1652806841 TZHVGLGWAHGOER-WVLNKYAVSA-N 299.458 4.666 30 10 CJEE C=CCCN[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F 1657654115 PMORIYFTARQGCV-AWEZNQCLSA-N 285.353 4.753 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H](CC)C2)c(Cl)c1 1665798676 BEHBISSUBCNLSX-JSGCOSHPSA-N 261.796 4.702 30 10 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30 10 CJEE C=CCCCCCCCCC[C@@]1(N)C[C@H](C)O[C@H](C)C1 2207427150 KCBGQLOZBPDMSU-PIIMJCKOSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCCC[C@H](N)C[C@@H]1CC[C@@H](C)O1 2207430253 SCGJWABOQJXWEL-SQNIBIBYSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2207435509 HQOJDKRFMOULKR-WCVJEAGWSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H]1CCO[C@@H]1C 2207435886 KMAMPDGWNGPMDM-SQNIBIBYSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H](O)C1CCCCC1 2207439211 SAHBELDXIBBHDH-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@]1(C)C[C@H]1C)NCC 2207445175 ORVROMTXTNTOQC-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CCCCS1 2214614240 WYOPHRQUSZYIAD-GJZGRUSLSA-N 256.455 4.550 30 10 CJEE C=CCCCCCCC[C@H](N)c1scnc1Cl 2214618992 SICKFDRCPHCHNV-NSHDSACASA-N 272.845 4.713 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(F)c(Cl)c1 2218189664 VFGVIPWDHWXWJB-RTXFEEFZSA-N 265.759 4.913 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H](SC)C1CC1 2221153328 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2229023828 ANQBOZHMUNRBFC-MSOLQXFVSA-N 261.453 4.847 30 10 CJEE C=C(C)CN(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(C)C 2230674379 SFJHZYUKNLYBPY-SQNIBIBYSA-N 263.469 4.879 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C)C[C@H](NC)C1 2230980738 FWVSQQUEHZSBQS-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)[C@@H](C)CC 2231017252 PNFSZVCZNGLEMB-DLBZAZTESA-N 271.489 4.778 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NCCC)C(C)(C)C 2231026310 HOYNVHXFQSCDQC-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)c(C)c1 2231491440 KVUYILMVKZUJLN-HOCLYGCPSA-N 279.855 4.771 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1ccccc1CC(C)C 2233783550 WBDCNOAVYQKCPI-SFHVURJKSA-N 271.448 4.585 30 10 CJEE C=CCCCCCCCC(=O)[C@](O)(CC)C1CCCC1 2235526148 IFTCQNJTAKMOBH-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](O)(CC)c1ccsc1 2235531894 FCKDABSCHOBQBT-IAGOWNOFSA-N 295.492 4.590 30 10 CJEE C=CCCCCCCCOc1ccc(Cl)cc1CCN 2235532096 GYUMMFBTJJUPJQ-UHFFFAOYSA-N 295.854 4.747 30 10 CJEE C=CCCCCCCC[C@H](Cc1ccccc1Cl)NN 2235538667 JVXPFEYUDQPHQN-MRXNPFEDSA-N 294.870 4.631 30 10 CJEE CCCCCCC[C@@H](N)[C@@](C)(O)c1cc(C)cc(Cl)c1 2237903939 DJLXWZNZWMWIST-SJORKVTESA-N 297.870 4.544 30 10 CJEE N#Cc1cc(N)ccc1SCCCCCCCC1CC1 2239324333 DHVXMYSWKRXITQ-UHFFFAOYSA-N 288.460 4.983 30 10 CJEE N#Cc1cc(F)ccc1NCCCCCCCC1CC1 2239431623 JLUCRINOUXWUFU-UHFFFAOYSA-N 274.383 4.860 30 10 CJEE C=C[C@H](CC)O[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCC 2239497844 HDIQYYJZNFFIAV-QBPKDAKJSA-N 281.484 4.551 30 10 CJEE CCCCCCCCCCOc1ncc(C#N)cc1C 2239497979 IANWUSWNAXOCOE-UHFFFAOYSA-N 274.408 4.781 30 10 CJEE C=C[C@H](CC)O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCCC 2239499025 LLESKSJSMALQMP-WCXIOVBPSA-N 281.484 4.551 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@H](CC)[C@H]1C 2240562439 LJYQDBDBGHPVHI-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(OCc1ccsc1)C(=O)O 2240617623 HJAIIMLACQFOPF-MRXNPFEDSA-N 298.448 4.859 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC[C@H]1CC1(C)C 2240639007 AJSQDKVNEHNUEX-YJBOKZPZSA-N 282.468 4.883 30 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CCC1([C@H](CC=CC#CC(C)(C)C)NC)CCCC1 2268813487 LPUKWLRNSSCUHY-INIZCTEOSA-N 261.453 4.541 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NCC 2271780520 GSLLCKXVXNZKFQ-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@]1(C)CCCCC1(F)F 2271781707 QUZRQYUULNKNBU-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](CCC)OCC 2271785138 KADXBEZDNRGYME-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=C(C)CCCCN[C@@H]1CCCCC[C@@H]1C(F)(F)F 2271838216 CYVMYXXLZJIICL-UONOGXRCSA-N 277.374 4.834 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@@H](CC)CCC)C1CC1 2272059993 GHHJHBARJGNMNR-JQHSSLGASA-N 263.469 4.621 30 10 CJEE CC(C)CCC[C@@H](C)CCOC1CCC(=NO)CC1 2272355571 QBKLWYXRMOZOLL-IURRXHLWSA-N 269.429 4.628 30 10 CJEE C=C[C@H](C)CCN[C@@H]1c2cc(Cl)ccc2CC1(C)C 2273233278 QEKFKQIGNNSPPN-BLLLJJGKSA-N 277.839 4.765 30 10 CJEE C=CCCCC[C@H](OCCN)c1cc2cscc2s1 2276510899 MMAQZEJZEMVCHO-ZDUSSCGKSA-N 295.473 4.726 30 10 CJEE CCCCCCCC[C@H](OCCN)C1CC(C)(C)C1 2276559765 AWAWWXIUNFAEHQ-INIZCTEOSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]1CCC)OCCN 2276972952 PNRDPLPCRCQPSE-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)CCCC 2278126648 FWQUBWDZVZIVCV-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C[C@@](C=O)(CC[C@@H]1CCCCC12CC2)c1ccccc1 2279671910 UYIFVSCRILBKSL-ROUUACIJSA-N 270.416 4.894 30 10 CJEE CC(C)NC[C@@]1(CC=CC#CC(C)(C)C)CCC[C@H]1C 2284084552 SPURUNQFBZLPBC-IEBWSBKVSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C(F)(F)C1CCCCC1 2284177074 PJMKYVCPTSKTOJ-HNNXBMFYSA-N 283.406 4.525 30 10 CJEE CCCCCCCCC[C@H](N)c1cn(C(F)F)c(C)n1 2284784497 XPQKTFVRUWVAAS-ZDUSSCGKSA-N 287.398 4.727 30 10 CJEE C=CCCCCCCCSc1ccc(C(=N)N)c(C)c1 2287072558 YULBUKOWFHLKJK-UHFFFAOYSA-N 290.476 4.898 30 10 CJEE CO[C@H](CSCc1ccc(C#N)c(C)c1)CC(C)(C)C 2287301490 NWVIGAWKGSRTNK-INIZCTEOSA-N 291.460 4.551 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(C)c(C)n1 2287410653 KGBXXHNLAGOVTC-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@H](C(C)C)CCS1 2287886922 WPYCSHXYWWRKOX-CVEARBPZSA-N 298.540 4.946 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1CCCC[C@@H]1CC 2289614621 AMJLQJCBHDRVPA-IPMKNSEASA-N 275.480 4.765 30 10 CJEE C=CCC[C@H](C)[C@H](CCCCCCCC)OCC(=O)O 2291004801 NIDMRHMEKRFTGK-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1ccc(Cl)cc1 2291783294 AYARWYQDJCOTIK-OAHLLOKOSA-N 298.810 4.843 30 10 CJEE C=CCCCCCCCC[C@@H](CC1CCC1)OCCN 2292793969 AQMBVTZARHGFIR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC1(OCCCN)CC(CCCCC)C1 2293292165 NDTIQGTYFPVMNW-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@]1(OCCCN)C[C@@H]2C[C@@H]2C1 2293460874 RTUINAFVGINBKW-PIIMJCKOSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H]1CCC[C@@H]1F 2293909568 KWEOYHCBUZSZLI-IKGGRYGDSA-N 287.463 4.609 30 10 CJEE C=CCC[C@](C)(CC(C)(C)C(F)(F)CC)OCCCN 2294510331 WVKMYGNGBQESHD-OAHLLOKOSA-N 291.426 4.538 30 10 CJEE CC(C)CC1([C@H](O)C#Cc2ccccc2Cl)CCCC1 2295214299 LNNKNTGEPHGDJT-QGZVFWFLSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@@H]1CC[C@H]1C 2295524685 MLNCIINOFOVSNO-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)[C@@H]1CCCNCC1 2295533101 DFUXEPZAKKEWGK-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@](C)(O)C(C)(C)C 2295674229 PBHKXKKENHIHED-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC1CC=CC1 2295677286 SCXKWVXYFAAXQM-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=C([C@@H](N)[C@@](C)(O)CCCCCCCCC)C(C)(C)C 2295681024 CIBAZDYYHQOKDJ-AEFFLSMTSA-N 283.500 4.808 30 10 CJEE CC(CC=Cc1ccccc1)=NNc1ccccc1 2297534643 FXFRKROXJLRPEN-UHFFFAOYSA-N 250.345 4.578 30 10 CJEE C=CCC(CC=C)C[C@H](O)c1cccc(Br)c1 2301050622 LKSGMNBZWJJKEO-HNNXBMFYSA-N 295.220 4.641 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc(Cl)c1Cl 2301053652 ULHXSRLQGSNVQO-UHFFFAOYSA-N 269.171 4.945 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc(C)c1Br 2301066455 OTFIFRHNLDUCJJ-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE CC(C)=CCC[C@@H](C)OCC1(CS)CCCC1 2302766217 RXQSCXBXRAGNIX-CQSZACIVSA-N 256.455 4.628 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cc(Cl)c(C(F)F)s1 2304582220 LJUHCVUNOWQSKG-XVKPBYJWSA-N 277.767 4.566 30 10 CJEE C=CC[C@H](C)Sc1sc(CNC(C)C)c(C)c1C 2313689614 QMIZUKXUYJRLEK-NSHDSACASA-N 283.506 4.920 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C)cc1SC 2319607363 YHNBTTANSZKAEY-OAHLLOKOSA-N 263.450 4.853 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C#N)CCS[C@@H](C)C2)CC1 2320337342 MCRDALMGGLPOKB-XHSDSOJGSA-N 263.450 4.938 30 10 CJEE C=CCC(C)(C)[C@H](CC(C(C)C)C(C)C)NCC 2321101871 MMZYROPIPROPDM-INIZCTEOSA-N 253.474 4.885 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)C(=C)[Si](C)(C)C 2321128817 WMQTZRATWSNKCN-HZPDHXFCSA-N 267.533 4.781 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccc(Cl)cc1Cl 2321223576 HGLIHINEQRDQIR-HUUCEWRRSA-N 287.230 4.889 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@H]1CCC12CCC2 2327112192 IEDAXYWHHZOGLI-HIFRSBDPSA-N 270.482 4.566 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCC1 2329794766 PEFLTHVPKJUEHZ-MJBXVCDLSA-N 267.363 4.922 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@@H]1CC1(C)C 2335097610 AFGVVEZQEFRFOJ-HOTGVXAUSA-N 281.509 4.655 30 10 CJEE C=CCCCCCCCN1CC[C@@H](SC)CC12CC2 2335453515 SYMLRURINYBVPU-MRXNPFEDSA-N 281.509 4.873 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CC[Si]2(CCCC2)CC1 2337112497 DQYMUQDNBBONOB-NVXWUHKLSA-N 277.528 4.726 30 10 CJEE Cc1ccc(C(C)C)cc1NCC1(C#N)CCCC1 2337619117 FWGPHFONHCXEKB-UHFFFAOYSA-N 256.393 4.614 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(CC)o1 2338741611 OWOTUSDQXJRYOA-QGZVFWFLSA-N 261.409 4.651 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1scc2c1CCCC2 2338744151 LOXDLUKGMVSULD-INIZCTEOSA-N 275.461 4.656 30 10 CJEE CCCCCCCOC[C@H](CCC1CC1)NCCC 2340738026 VIBYAGDVXFEPAT-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCSc1cccc(OCCCC2(C)CC2)c1C#N 2341248319 RRCHFXOYAVWZOW-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE N#CC1(Cc2ccccc2C2CC2)CCCCCC1 2341755332 FMKHOQXZYXFDJC-UHFFFAOYSA-N 253.389 4.971 30 10 CJEE C=CCC(C)(C)[C@@H](CCCCCCOC)NCCC 2344336237 HOMPDFNVDHWIML-MRXNPFEDSA-N 269.473 4.554 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(=C2CC2)C1)NCC 2344349225 QWZZUXCMICQNCV-ZWKOTPCHSA-N 261.453 4.847 30 10 CJEE C#CCCN(CC[C@@H]1CCC(C)(C)C1)CC(C)(C)C 2344822312 ILQRZVSNIRVJFJ-INIZCTEOSA-N 263.469 4.574 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CCC[C@@H]1C[C@@H]1C 2358947995 MABFKCFMOROFHZ-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)SCCCOc1ccc(C#N)cc1 2360352876 HRVRQNNRPLMUBE-UHFFFAOYSA-N 287.428 4.581 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1ccc2ccccc2c1 37936974 XGXUOSBQRZONCX-SFHVURJKSA-N 276.314 4.656 30 10 CJEE Cc1cc(C)c(C(=O)[C@H](C#N)c2ccccc2Cl)c(C)c1 44268490 AVPJHRUGNNUHPT-OAHLLOKOSA-N 297.785 4.755 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccccc1Cl 44268929 PLAGIXZNBHOEOL-TZMCWYRMSA-N 277.795 4.733 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1C)c1cccs1 44388720 IRMFHYJILCRIPM-HNNXBMFYSA-N 270.401 4.882 30 10 CJEE N#Cc1sc(-c2cccs2)c(-c2cccs2)c1N 52902341 GOQICJOOCFSQHP-UHFFFAOYSA-N 288.422 4.659 30 10 CJEE CCCCCCCCCOc1cccc([C@@H](C)N)c1 59088203 WDXHHSLSFAWHML-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE CCCCCCCCOc1ccc(CNC2CC2)cc1 59128497 BJDUZPPNVBPQLL-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(C)c(C)c1 61682011 BQSVHQASZNEIQT-DOTOQJQBSA-N 271.404 4.696 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 62791087 CGGIHAYGNONVSY-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(F)c(C#N)c2)CC1 86946178 LAUCFUJBELGYLS-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE N#Cc1ccc(NCC2CCCCCC2)cc1C(F)(F)F 89560661 MTSVOKAXSMGISP-UHFFFAOYSA-N 296.336 4.959 30 10 CJEE COc1ccc(SCC2(CS)CCCCC2)cc1 94588838 UJGRMNWEWTXXST-UHFFFAOYSA-N 282.474 4.668 30 10 CJEE C=C(CC)C[C@H](NCCC)C(C)(C)c1ccccc1 97208692 RPPRZBVWNWVADP-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CCC1(CC)CC(C#N)(Sc2ccccc2F)C1 97264981 LRQWVSUCVLARMU-UHFFFAOYSA-N 263.381 4.780 30 10 CJEE CSc1ccc(Oc2ccc(C#N)cc2Cl)cc1 104332524 YKXGJUUNPXOPGA-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCC[C@@H](NCC)c1nc(C)c(C)s1 104441787 CJRBYSIIXUEYPC-CQSZACIVSA-N 268.470 4.771 30 10 CJEE CCCC#CCCc1ccc(CC)c(Br)c1 107478237 JRXOFHJERWILDS-UHFFFAOYSA-N 279.221 4.748 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCC)c(C(C)C)c1 107598912 MURBKDWXAGVOCH-OAHLLOKOSA-N 258.405 4.801 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(OC)cc1Cl 107667536 RHPVQDFZDGYHHV-NWDGAFQWSA-N 250.769 4.502 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1Br 109307567 JKBVAOFOYWYQIW-CQSZACIVSA-N 284.241 4.809 30 10 CJEE CCCCCCCO[C@H](c1ccccc1F)[C@@H](N)CC 109987604 BDFFBSIASKVULD-DLBZAZTESA-N 281.415 4.591 30 10 CJEE CCCCCCCCOCc1cc(CNCC)c(C)o1 110171334 WDKCMVWOMIGJSG-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE N#Cc1ccc(CNc2c(Cl)cc(F)cc2Cl)cc1 123205785 CZPSGVJUCGBLPL-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccncc1F 125018541 ZHOBUWLNBLCTBG-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(Cl)cn1 125079582 CSACRYWJXSMSOT-HNNXBMFYSA-N 269.816 4.909 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(F)cc1 125286406 NQDRUQVJZOQVIK-KRWDZBQOSA-N 280.431 4.861 30 10 CJEE N#C[C@]1(Cc2cc(F)ccc2Cl)CCCc2ccccc21 126011569 WHFQTBDMYDZBCE-GOSISDBHSA-N 299.776 4.819 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1nccn1CC 130571323 GEZWPTJJMUKCLN-KRWDZBQOSA-N 294.483 4.727 30 10 CJEE CCCCCCCCCCC[C@@H](N)CCc1nccn1C 131306440 XMGYZMKESWFKGW-QGZVFWFLSA-N 293.499 4.601 30 10 CJEE Cc1cc(C#N)ccc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 165549715 GHLADBZHEBAGFQ-CXAGYDPISA-N 271.404 4.598 30 10 CJEE CCc1cc(OCc2ccc(C#N)cc2C)ccc1Cl 165554094 YDMYIFGOMIVZEY-UHFFFAOYSA-N 285.774 4.662 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@H]1CCOC1 166152755 NIRAQOBASIGJIN-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC[C@@H](CS)COc1ccc([C@H](C)CC)cc1 232360758 ZXUCECQEFMZWHY-CHWSQXEVSA-N 252.423 4.535 30 10 CJEE CCCCCCCC[C@@H](O)c1cnc(C(F)(F)F)s1 232936138 WXDHWNXFFRGNAV-SNVBAGLBSA-N 295.370 4.946 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@@H](CC)C1 232965556 SNKVAKVPJDODJC-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(Cl)cc1C 233558020 PRHGVYYACSQOAX-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(OCC)c1 233609529 UIVKFUWVCXMTCH-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C=CCCCCCC(=O)CSc1ccccc1C 235786584 NWTVCLOOHVCGOT-UHFFFAOYSA-N 262.418 4.793 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252433501 CHRSUTGLXDGBRZ-WZGPROSRSA-N 284.447 4.583 30 10 CJEE C[C@@H]1C(=O)/C(=C\c2ccc(Cl)cc2)[C@H]2C[C@H]1C2(C)C 254558654 PXJGEAZXDDGPDF-ZFVQLFSPSA-N 274.791 4.605 30 10 CJEE N#CC1(c2c(Cl)cccc2Br)CCCCC1 260303287 BSTQKMDEBAPJHB-UHFFFAOYSA-N 298.611 4.828 30 10 CJEE CCC[C@H](NCC1CCC(C#N)CC1)c1ccsc1 282480620 WWXPDIBVTYLPCS-XUJLQICISA-N 276.449 4.509 30 10 CJEE C#Cc1cc(-c2ccc(Cl)cc2)ccc1Br 309211836 HFEJGLOYENNMIR-UHFFFAOYSA-N 291.575 4.751 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCOCc2ccccc2)C1 309920448 VSVMFHSXFUSCGP-SJLPKXTDSA-N 271.404 4.703 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2cc(Cl)ccc2Cl)O1 310317918 XVFBZPGLADJUND-STQMWFEESA-N 270.159 4.517 30 10 CJEE CC(C)CC[C@H](Nc1ccc(Cl)c(C#N)c1)C1CC1 311525938 GASQXPGXTKKTQS-INIZCTEOSA-N 276.811 4.838 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc2ccccc2c1 312246851 TWYKRTVMVDOTPF-GOSISDBHSA-N 265.400 4.540 30 10 CJEE C=CCCCCCCNCc1ccc2nc(C)ccc2c1 315094388 LGFBPGLCJXNDOZ-UHFFFAOYSA-N 282.431 4.769 30 10 CJEE C=C(CC)CC1(CNC(C)(C)C)CCC(C)CC1 318003779 VIJHYZRAYKZHHA-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C[C@]1(CC#N)CC[C@@]2(CCCC[C@H]2c2ccccc2)O1 380484479 AZFDFYCOQLSBTI-RCCFBDPRSA-N 269.388 4.566 30 10 CJEE N#C[C@@]1(CCC2=CCCCC2)CCOc2ccccc21 384919349 DZCQEGOUKUHQME-GOSISDBHSA-N 267.372 4.511 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C#N)CCC[C@H]1C 385050669 SNKQBZYYBYDPIL-IXDOHACOSA-N 265.441 4.818 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)[C@H](O)CC 386834450 WNJJTHZKADHMCY-DLBZAZTESA-N 271.489 4.656 30 10 CJEE C[C@@H]1CCC[C@H](CC/N=C2/N[C@H](CC(C)(C)C)CS2)C1 393464505 HPONVCSHRYNICN-RBSFLKMASA-N 296.524 4.700 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 393794342 HDOBDZNCVGSGSR-HRCADAONSA-N 251.458 4.926 30 10 CJEE CCCCCCC[C@](C)(O)[C@H]1CC2CCC1CC2 394518992 SNZXVLGSRAVJDO-GQGLESIBSA-N 252.442 4.924 30 10 CJEE C=CCCC[C@@H](C)n1c(C)cc2c1CC(C)(C)CC2=O 398313975 STHXNLSMHMEXEY-CYBMUJFWSA-N 273.420 4.869 30 10 CJEE CCCCCCCC[C@@H](NN)c1csc(C)c1C 399981955 HJLLDZHQODBJBO-OAHLLOKOSA-N 268.470 4.620 30 10 CJEE C=C(C)CCN[C@@H](C)c1c(Cl)cccc1Cl 400822403 QUIILXJVIBTADZ-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C=C[C@@H](C)ON[C@H](c1cccs1)c1ccc(Cl)s1 400926925 MDOFPKNXGNWGIR-NOZJJQNGSA-N 299.848 4.648 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H](CC)CC(F)(F)F 402560642 LCTUVOWBXZGHDA-TZMCWYRMSA-N 279.390 4.936 30 10 CJEE C=C(C)C[C@@H](C)c1nc(-c2ccc3nc(C)sc3c2)no1 558374671 NSVDXJPKRHNLOG-SNVBAGLBSA-N 299.399 4.724 30 10 CJEE CCc1cc(C(F)F)cc(OC(F)F)c1C(F)(F)F 575653848 LCVNSLBGKPGHMA-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE N#Cc1ccccc1[C@@H]1CCCCCN1Cc1ccccc1 616622412 CJGBAMQMJIZEQV-FQEVSTJZSA-N 290.410 4.676 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc(C(F)F)ccc1F 621878809 AIFZMWZVNUGZJD-UHFFFAOYSA-N 299.336 4.582 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)C[C@@H](C)O[C@H]1C 686455226 KWAPMAHYOHCIFS-IXDOHACOSA-N 269.473 4.529 30 10 CJEE CCCCCCCCOCc1ccc(C)nc1NCC 688611169 CYSXKFOYJIMMPZ-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE CC(C)(C#N)CCNc1ccc(SC(F)(F)F)cc1 690219345 GMIPXQBWGKHVJE-UHFFFAOYSA-N 288.338 4.650 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)Cc1ccccc1 692213504 HHVBJTWVMSMCTF-CEXWTWQISA-N 271.448 4.732 30 10 CJEE CCN[C@@H](C)c1cccc(S[C@H](C)CC(C)(C)C#N)c1 695780284 UKNKJNKKBDXSQT-KGLIPLIRSA-N 290.476 4.778 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cc(Cl)ccc1Cl 695801475 SUBCGSKMPAXXGQ-SECBINFHSA-N 272.175 4.701 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)[C@@H]1CCCNC1 696609566 HHRDMVLNEIIOES-SJORKVTESA-N 283.500 4.514 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1csc(C(C)C)n1 702249705 FHUPZUQXGQHYAP-CQSZACIVSA-N 292.492 4.747 30 10 CJEE C=CCSc1ccccc1NCc1cncc(Cl)c1 702694165 KDQXVVLLRLMYNM-UHFFFAOYSA-N 290.819 4.625 30 10 CJEE CCCCCCC/N=C1/N[C@@H](C2CCCCC2)CS1 703734729 OEIAOZRPPSMTIU-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)C(F)(F)F)NCC 705502494 SICPJLCXDMCMHI-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE C[C@@H]1C[C@]1(C)CN(C)CCCCCCCCCS 707411982 DQZYKBZKPFLCGJ-HZPDHXFCSA-N 271.514 4.625 30 10 CJEE C[C@H](CNc1ccc(Cl)cc1C#N)CC(C)(C)C 709189646 RFRSJDVNMNYHPE-NSHDSACASA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(Cl)c1F 710592437 MEFJFWCNOWBSOO-LBPRGKRZSA-N 276.182 4.662 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC[C@@H](C3CC3)O2)CC1 715437266 FHRYUGHMGUGLIN-YCHGYYGWSA-N 275.436 4.690 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1(OCC)CCC(C)CC1 715751840 FHBVHVUQQVPHMZ-SAGYGOJTSA-N 281.484 4.552 30 10 CJEE CC[C@@H](CC1CCCCC1)Nc1cccc(F)c1C#N 720953149 FWCXBQCKZRENPZ-AWEZNQCLSA-N 274.383 4.858 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC12CC2)NCCC 723183091 PFEXNRXHMJWCGR-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE Cc1cc(CC#N)c2ccsc2c1SC(F)(F)F 725314263 JELLANGFHYGLHK-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE Fc1cccc(F)c1C#Cc1ccc(Cl)c(Cl)c1 725413264 PZXRTBFHQABEBW-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 1127190790 CRLDLFKORONKFY-JTQLQIEISA-N 286.293 4.522 30 10 CJEE C=CC[C@@H]1N(C(=O)CC2(C)CCCCC2)CCCC1(C)C 1128470368 XLEQDVQKPLWGPL-INIZCTEOSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)NCC2(C3CCC3)CCC2)CCCCC1 1129507311 RLTXNYWGICPUNF-UHFFFAOYSA-N 289.463 4.600 30 10 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4.611 30 10 CJEE C=CCOc1cccc(CNC[C@@H]2CCCC[C@@H]2CC)c1 1308422726 OMNQVNRMUQOSMV-ROUUACIJSA-N 287.447 4.557 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc2c(c1)[C@H](O)CCCC2 1308855111 NORXIXKQFPVDLW-QFBILLFUSA-N 287.447 4.993 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)(C)C)cc1 1351234870 UQWJPLKWNIEAJB-KRWDZBQOSA-N 259.393 4.525 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H]1CCc2c(F)cccc21 1459345469 IRYHUSCHIPJSOV-LJQANCHMSA-N 299.364 4.640 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 1473627171 FNMOTGFRLWTZEL-UONOGXRCSA-N 263.812 4.689 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)Cc1ccccc1SCC 1474478861 DBKMFFOPRXVTRJ-HOCLYGCPSA-N 277.477 4.674 30 10 CJEE C=C(C)[C@@H](NC(=O)[C@@H](C)CCCC)c1ccc(F)c(F)c1 1523652602 WPUNMIVTWAVUMY-BLLLJJGKSA-N 295.373 4.525 30 10 CJEE C=C[C@H](CC(=O)NCC(C)(C)C1CCCC1)c1ccccc1 1526041523 KZAOAXRAGPYOGG-MRXNPFEDSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(F)cc1Cl 1527918117 WCDIETPJMUDYJZ-UHFFFAOYSA-N 297.801 4.736 30 10 CJEE C#CCCCCC(=O)N[C@@H](CC1CCCC1)c1ccccc1 1534409510 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UKWDQOYHFTXQBB-GOSISDBHSA-N 289.488 4.900 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccccc1C(F)(F)F 2360212677 JSZMOFDUSBEFHE-LBPRGKRZSA-N 283.337 4.877 30 10 CJEE Cc1cc(C)c(CNc2ccc(C#N)c(Cl)c2)cc1C 37253400 XNFQUUBHTFQLNA-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE Cc1ccc([C@H](C#N)Nc2cccc(Cl)c2)c(C)c1 37937215 YXBVGENMTNBBNM-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=C(C)Cn1c([C@@H](C)Oc2ccccc2)nc2ccccc21 39899801 PBYWCWRIRPGLEU-OAHLLOKOSA-N 292.382 4.752 30 10 CJEE Cc1cccc(C)c1OCC[C@H](C#N)c1cccc(F)c1 57688808 PKFHOJDNVWUSCK-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE N#C[C@@H](Cc1cccc2ccccc12)c1ccccc1 57739000 IRJIDXHTCFGSLU-GOSISDBHSA-N 257.336 4.690 30 10 CJEE CCCCCCCCCn1ccc2ccc(N)cc21 59199014 DJIHJCAXZSJRCQ-UHFFFAOYSA-N 258.409 4.974 30 10 CJEE CCCCCCCCOc1ccccc1[C@@H](O)CC 59292825 VSNRIZGFWCVVDY-INIZCTEOSA-N 264.409 4.869 30 10 CJEE CC(C)(C#N)CCNc1cc(Cl)c(Cl)cc1Cl 87590892 MBRPLFNULKILBB-UHFFFAOYSA-N 291.609 4.999 30 10 CJEE CCC(C#N)(CC)Sc1cccc(Br)c1 90247885 DKVLARQGWHCIMN-UHFFFAOYSA-N 284.222 4.624 30 10 CJEE CCC[C@@H]1CCC[C@@](O)(C2(C#N)CCCCC2)CC1 91903424 KYCZLYLEMMPMFB-WBVHZDCISA-N 263.425 4.572 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CCCc2ccccc21 94583821 VIJJICJSUGRGJC-MRXNPFEDSA-N 278.461 4.817 30 10 CJEE CCC1CCN(CCCCCCCCCS)CC1 97799441 DCMSTVGRRZZBHI-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(F)cc(F)c1 103944794 WSABLUQOOJPQTQ-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CCCCCCCn1cc(CCCO)c2cc(F)ccc21 107042668 YKONLCGGZDLNFX-UHFFFAOYSA-N 291.410 4.676 30 10 CJEE CCCCCCCO[C@@H](c1ccc(Cl)cc1)[C@H](C)N 109987469 DGXNBWHBKHICDU-XJKSGUPXSA-N 283.843 4.715 30 10 CJEE N#Cc1ccc(NCCC2=CCCCC2)cc1Cl 110254685 UZTJADNQPMUTDO-UHFFFAOYSA-N 260.768 4.514 30 10 CJEE CCCCCCCCCN1CCC[C@H]([C@@H](C)NCCC)C1 111890929 GOTNEUKMSLCXLH-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@H](O)C12CC3CC(CC(C3)C1)C2 112887577 DPUVZMCJTADNRI-LESVLKBLSA-N 264.453 4.924 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@]1(C)CC 114056347 CLDPMSLOIVNDTN-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCCCN1C[C@@H](CC(C)C)NCC1(C)C 114349188 PPIMOMRQFOZNQX-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCCn1cccc1CO 117600716 XVSFMZIKWURKOE-UHFFFAOYSA-N 265.441 4.901 30 10 CJEE CCCCCCCCn1ccc([C@@H](O)C(C)C)c1 118245851 FCTISSZUBLGGOP-INIZCTEOSA-N 251.414 4.538 30 10 CJEE CCCCCCCCCCN[C@H]1CS[C@@H](C)C1 124779934 XIVUSDGBKNFGJY-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 125707040 QITXQHGMCHLDMW-OIAUPDTQSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCCNc1c(N)c(CCC)nn1C 129217785 QLSNSWVODVBSBB-UHFFFAOYSA-N 294.487 4.507 30 10 CJEE CCSc1cccc(Oc2cc(F)cc(F)c2)c1C#N 136717331 YHZNUPOOJKMJJU-UHFFFAOYSA-N 291.322 4.741 30 10 CJEE COc1c(C)cnc(CC2(C#N)CCCCCCC2)c1C 156748449 CVFAVNLJRSHVGO-UHFFFAOYSA-N 286.419 4.504 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CCCc2ccccc21 159197443 OVLMHXWXBBNKIZ-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C[C@](C#N)(CCCC(F)(F)F)Nc1ccc(Cl)cc1 163591822 KDAKBSUHKKZDEV-GFCCVEGCSA-N 290.716 4.767 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(Cl)cc2F)C1 164658269 ZCHVOUMYXAXIGS-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCOCc1ccccc1CCNC(C)C 167941732 SYVAPKNCIXENHH-UHFFFAOYSA-N 291.479 4.714 30 10 CJEE C[C@H]1C[C@H](C)CCN1CCCCCCCCCS 217861235 SUCPHYGGUKIFDP-CVEARBPZSA-N 271.514 4.767 30 10 CJEE CC(C)c1cc(Br)cc(C2(C#N)CCC2)c1 218757384 ZFHTTXBLEXLDKJ-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(Cl)cc2)cc1 221202163 WQWIGLRXEGJNOC-UHFFFAOYSA-N 284.786 4.919 30 10 CJEE CCCCCCCCC[C@@H](NCCOC)c1nccs1 232935908 MSTWIMAAZFGBDL-OAHLLOKOSA-N 298.496 4.561 30 10 CJEE CCCCCCCCC[C@@H](O)C1(C#N)CCCCC1 232942047 UWAWTWGLYHLYIL-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc2ncsc2c1 236059006 WAPDCDDRUAKRSQ-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@H]1[C@@H](C)CC 250824112 MNBQYOMIMWWWJE-FHWLQOOXSA-N 296.543 4.691 30 10 CJEE CCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 250834054 SUNZHWVTFUHKIN-NRKLIOEPSA-N 250.426 4.534 30 10 CJEE CC(C)c1cc(Br)cc([C@H](C)CC#N)c1 260848424 HCLNXRFQJDGADG-SNVBAGLBSA-N 266.182 4.590 30 10 CJEE CCCC[C@H](C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 302426816 RQONRVSXWAGMRV-WDEREUQCSA-N 298.213 4.996 30 10 CJEE C=CCCCCC[C@H](N)c1cc(F)ccc1Cl 310337937 NFDDWVSWDBAUAI-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE CCC(CC)OCC1(C#N)CCC(C(C)C)CC1 311224153 WDTRUKQCOWBGFI-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE CC[C@H]1CCCC[C@@H]1n1ccc2ccc(C#N)cc21 311267775 AUSZMOGDEUIPBC-HOCLYGCPSA-N 252.361 4.654 30 10 CJEE CCCC1CCC(C#N)([C@@H]2CCC[C@@H](OC)C2)CC1 311375917 LECWSMWZXXFVPU-JCCCHCCOSA-N 263.425 4.692 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 312447141 CCTOJESTORINNL-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N[C@@H]1CCCC12CCCCC2 312973094 OOLZXNKBHXJJNV-GVDBMIGSSA-N 274.452 4.551 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2OC)C1 316775721 FMQWMXZQYRRYFX-CXAGYDPISA-N 294.822 4.677 30 10 CJEE C#CCCC[C@@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317778402 DNEOKVMOFJVYDL-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE CCCCCCCN[C@@H](C)[C@@H]1CC2CCC1CC2 382071972 HFDCQRFTOVCMFL-OTBWCIGPSA-N 251.458 4.761 30 10 CJEE C=CCCCCCCNc1ncc(Cl)cc1Cl 383693533 UFEQCPDTBGIQJX-UHFFFAOYSA-N 273.207 4.937 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C)[C@H]1CC 384312900 OZRQVBNTDKCQGB-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@H]1C1CCCC1 385383599 ZOPSLKKWZQHEJP-IRXDYDNUSA-N 251.458 4.905 30 10 CJEE Cc1ccc(N=C2N[C@H](C3CCCC3)CS2)cc1Cl 386411594 WZRNZVDGOCHCTN-AWEZNQCLSA-N 294.851 4.531 30 10 CJEE CCCCCCCCCNCCSC(C)(C)C 397339131 CXAWAWWDVXYARH-UHFFFAOYSA-N 259.503 4.858 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1csc(Cl)c1 398060511 HBADSMIDCWWXFX-WDEREUQCSA-N 257.830 4.797 30 10 CJEE C=C(C)CC[C@H](NCCC)c1csc(C)c1C 399789586 WHEZSPQKPXVWGI-HNNXBMFYSA-N 251.439 4.762 30 10 CJEE N#CCc1cccc(-c2cccc(Cl)c2Cl)c1F 514261816 XKUWHNDRDQUPCA-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCC[C@H](NCC(C)(C)CC(F)(F)F)c1ccco1 663479099 ZZCZCIFBUQVMES-LBPRGKRZSA-N 289.341 4.855 30 10 CJEE C#CCCCCCC(=O)C1CCC(C(C)(C)C)CC1 686694026 UDBIFZOHPGFTGL-UHFFFAOYSA-N 262.437 4.992 30 10 CJEE CCCCCCCCCC[C@H](O)C1(N)CCCCC1 695705234 FZJOWCLUSOQXDN-INIZCTEOSA-N 269.473 4.540 30 10 CJEE CCCC1CCC(C#N)(CCOC2CCCC2)CC1 701399851 JAMGNCZPOSQZER-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C(C)(C)C 702267865 UGHLVTBIJVUUMX-IINYFYTJSA-N 284.230 4.692 30 10 CJEE CCCCCCCNC[C@H]1CCCc2ccccc21 703744307 PLEAFEOZLIVWKO-QGZVFWFLSA-N 259.437 4.667 30 10 CJEE Cc1cc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1C#N 703773285 YVWXTJAJMIQFKS-DOPJRALCSA-N 270.420 4.739 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1ccns1 705398844 RVHMEYUHRPMJRR-HNNXBMFYSA-N 297.512 4.959 30 10 CJEE C=C(Cl)C[C@@H](CCCCCCCCCCC)NN 710628107 WJNVXWKHUYWWIJ-OAHLLOKOSA-N 274.880 4.882 30 10 CJEE CC#CCC[C@H](NCCC)[C@@]1(C)CC[C@H](C)C1(C)C 710806017 DTBYGNAOFSNWGV-XYJFISCASA-N 263.469 4.621 30 10 CJEE CC(C)C(C)(C)C[C@@]1(C#N)CCc2ccccc2C1 713369189 WDCZLLPVZMWCII-GOSISDBHSA-N 255.405 4.758 30 10 CJEE C#CCCCCC[C@@H](C[C@H]1CCCC1(F)F)NCCC 714003157 JKQFMGMYTLOFLE-CVEARBPZSA-N 285.422 4.764 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)ccc1Br 715722500 VRCBNEFYRHCBBY-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE CC(C)C(C)(C)CSCc1ccc(C#N)cc1F 718823800 IZGGEELRBFTQSX-UHFFFAOYSA-N 265.397 4.613 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@]1(C#N)C[C@H]2CC[C@H]1C2 719627787 WUBPXJSTHAENOC-XGXHKWSGSA-N 283.415 4.559 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccccc2C)CC1 724574574 DOYVODRLHVCHEW-GOSISDBHSA-N 257.421 4.782 30 10 CJEE C=C1CCC(C[C@H](CSc2cccc(C)c2)NC)CC1 724575661 PCKXORUJNYKTAO-QGZVFWFLSA-N 289.488 4.812 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C)c(C)c2)CC1 724598816 FOOKBTQDGRTPKG-SFHVURJKSA-N 257.421 4.700 30 10 CJEE C[C@H](C=NOCc1ccc(F)cc1)c1cccc(Cl)c1 758142981 BMKFPMCADSJTFX-GFCCVEGCSA-N 291.753 4.785 30 10 CJEE CC(C)c1ccc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1 781107984 MCLXNTMYUSICDQ-POHAHGRESA-N 293.341 4.717 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)Cc1ccc(C#N)cc1Cl 821941479 BIDLEYFCJVCUCO-GUYCJALGSA-N 290.838 4.612 30 10 CJEE Cc1c(C=Nc2ccc3ncccc3c2)c2ccccc2n1C 1084101386 CCPWCRRWISZADO-UHFFFAOYSA-N 299.377 4.786 30 10 CJEE CSc1ccccc1N=Cc1c(C)n(C)c2ccccc12 1084450175 JSMWWROSODUJNT-UHFFFAOYSA-N 294.423 4.959 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@]2(C)CC=C(C)CC2)c1 1125821376 ANNKATZNXIYCSG-LJQANCHMSA-N 299.414 4.717 30 10 CJEE C=CCCCCCN(C)C(=O)Cc1ccc(C2CCC2)cc1 1126398696 ACQMHIPJDRAPCB-UHFFFAOYSA-N 299.458 4.701 30 10 CJEE C=CCC1(NC(=O)CCCCC(C)(C)C)CCCCC1 1128926489 KJRRNJYGMJEHOZ-UHFFFAOYSA-N 279.468 4.988 30 10 CJEE C=CCCC[C@H](C)NCc1nc(-c2cccs2)oc1C 1178304470 ISVNVZFXLWXMSB-LBPRGKRZSA-N 290.432 4.546 30 10 CJEE CCCCCCCN1CCC(Oc2ccccc2)CC1 1190502852 FUJVSUKBTSFUFV-UHFFFAOYSA-N 275.436 4.500 30 10 CJEE C=C[C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1 1290083604 JTUDENRPUJOHIT-AWEZNQCLSA-N 285.774 4.557 30 10 CJEE C=CCCCCCSc1ccc(OCC)cc1 1307279753 ODPAMWMOCXMWMD-UHFFFAOYSA-N 250.407 4.924 30 10 CJEE C=C(CC)CNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1311227057 LNZMYMFNEPOPJV-ZDUSSCGKSA-N 286.419 4.559 30 10 CJEE C=C[C@H](CC)CC(=O)N1c2ccccc2CC[C@@H]1CCC 1356086587 HVMDTYLXGMDLHH-WBVHZDCISA-N 285.431 4.737 30 10 CJEE C#Cc1cccc(N(CC)C(=O)[C@@H](C)CC2CCCCC2)c1 1359803100 BORGLNOWHSAXEX-INIZCTEOSA-N 297.442 4.627 30 10 CJEE C=CCC[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 1435621827 PHXHYVDOFGLULG-QOHRORDFSA-N 297.423 4.585 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(OCCC(C)C)cc1 1444683825 DVLIUUJTHCZZHJ-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=C(C)[C@@H](NC(=O)[C@@H](CC)CCC)c1ccc(F)c(F)c1 1459182501 IPPKAURZXUPUFL-BLLLJJGKSA-N 295.373 4.525 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)Cc2ccccc2)CCCCC1 1460092607 HHCGGVUDDNDNPG-GOSISDBHSA-N 299.458 4.651 30 10 CJEE C=CC[C@H]1N(CCc2cccc(Cl)c2)CCCC1(C)C 1462156724 JWUSYIJJAGENKK-QGZVFWFLSA-N 291.866 4.949 30 10 CJEE C#CCCCCCCN1C[C@@H](C)C[C@H]1c1ccccc1F 1473197756 ASYCJBSPYHOOCO-LPHOPBHVSA-N 287.422 4.792 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc(-c2ccccc2)oc1C 1520519736 IWLCPHHLJWPJIB-AWEZNQCLSA-N 297.398 4.730 30 10 CJEE C=CCCCCCCNC(=O)c1cscc1C(F)F 1544263817 WTLAGLQBPVNYCE-UHFFFAOYSA-N 287.375 4.552 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccccc1SC 1544555528 NEENEJVQOOQMPL-WBMJQRKESA-N 278.417 4.615 30 10 CJEE 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281.484 4.696 30 10 CJEE O=C(C#CC1CCCCC1)c1cc2ccc(F)cc2s1 2289759619 JJLMQYYRIJVVAM-UHFFFAOYSA-N 286.371 4.807 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1C[C@@H]1CC(C)C 2289875416 QKMHAMYHYKHLFZ-GBESFXJTSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@]1(C)C[C@H]1C 2290572542 XAPFGIOZUAAJSN-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@](CCC)(OCC(=O)O)C1CCC1 2292714853 HIHKNSVOLVMOFK-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1C1CCC1)OCCN 2292854434 CPQLXXMNHBWZIM-KSZLIROESA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)C1CC1)OCCCN 2292915998 MOCJCESVXLXAJG-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2293049784 LFUVWIFXLINXAB-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)[C@](C)(OCCCN)C(C(C)C)C(C)C 2293134224 QWEUFDLZGRAFMK-AEFFLSMTSA-N 283.500 4.641 30 10 CJEE CCCCCCC[C@](C)(C[C@]1(C)C[C@@H]1C)OCCCN 2293969363 YWASTBMUKSQVHU-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=C([C@H](OCCCN)[C@H]1CCC[C@@H](CC)C1)C(C)(C)C 2294256294 LWZSDKNOJFLVST-IKGGRYGDSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CC1(C)C)OCCN 2294396431 IAVUPLRRYCOALW-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@]1(C)NCCCn2cccc21 2295677962 FKIQWSMEZXQBSG-GOSISDBHSA-N 276.468 4.837 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCCCN(C)C1 2295681079 CSZQNDQABNUXNI-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(NC(C)C)C(C)C 2295765841 HRXLTJCYXSUXIM-IRXDYDNUSA-N 298.540 4.852 30 10 CJEE C=C[C@@H](CC)OCCCCCCCCCCC(=O)OC 2296250421 IYVLNWOSOBLUQK-INIZCTEOSA-N 284.440 4.652 30 10 CJEE CCCCCCCCC[C@H](N)c1cnn(C2CCC2)c1 2296458134 XTEJNRBAANMABP-KRWDZBQOSA-N 277.456 4.749 30 10 CJEE OC(=CC=Nc1ccccc1)c1ccc(Cl)cc1 2296645895 XIAXMCPPSRICKW-UHFFFAOYSA-N 257.720 4.641 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 2298908563 QLMQDDXFZPBNKG-ZQDZILKHSA-N 251.439 4.793 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1[C@@H](C)C1(F)F 2308366004 BENHDZOPPQDHEK-MCIONIFRSA-N 261.400 4.616 30 10 CJEE CCCCCCCCN1CC[C@H](SC)CC12CC2 2313953461 ALQYMXRZWSKWEB-HNNXBMFYSA-N 269.498 4.707 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc(C(F)(F)F)cs1 2316709959 QTVYDKVALWJFDM-LBPRGKRZSA-N 276.323 4.569 30 10 CJEE C=CC1CC(N)(CCCc2cc(Cl)cc(Cl)c2)C1 2318643935 WUMWJRQPBCEBHJ-UHFFFAOYSA-N 284.230 4.610 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1csc2ccccc12 2319261046 LNUFNDJRJOUOPO-BBRMVZONSA-N 257.402 4.518 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC[C@@H]1C[C@@H]1C)NCCC 2321134076 LKDMBSKOWPVQTJ-VVLHAWIVSA-N 251.458 4.783 30 10 CJEE Cc1ccc(NN=Cc2ccc(C(C)C)cc2)cc1 2322930471 RCZZTFSHNXTXMQ-UHFFFAOYSA-N 252.361 4.564 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC1CCC(F)(F)CC1 2327162482 FEZGUVIIOJQWLH-CYBMUJFWSA-N 280.424 4.563 30 10 CJEE CCC(=NOCCCc1ccccc1)c1ccc(C)cc1 2330245989 DWRRDLCUYPLMDS-UHFFFAOYSA-N 281.399 4.759 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCC 2333326804 BNDRHDDNUZIPJR-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)[C@]12CCCC[C@@H]1C2 2335095673 DRTLWZBEFGHUNV-YVSFHVDLSA-N 281.509 4.633 30 10 CJEE C=CC[C@H](C)Sc1cccc(C)c1CN[C@H](C)CC 2335229611 OTLDKOGNDMQBIX-CABCVRRESA-N 277.477 4.940 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)NC)cc1C 2335240405 BNSWXXGHTJZBSQ-AWEZNQCLSA-N 275.461 4.888 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC[C@@H](C)c1ccccc1 2337074068 HNAPGLWWEXZIAB-BPQIPLTHSA-N 257.421 4.515 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C(C)C)CC1 2337111453 LULHEXSPXPMVIQ-MLHJIOFPSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H](c1ccccc1)C(C)C 2338702984 QUWYTEQNEWGPAH-QGZVFWFLSA-N 256.389 4.764 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cccc(C2CC2)c1 2338745905 AUUVFEDPGMYZIX-GOSISDBHSA-N 255.405 4.593 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(F)c(C)c1Cl 2338775227 GYAYDZRCGMULQO-DOMZBBRYSA-N 281.802 4.794 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1ccc(SC)cc1 2339962995 CXUYHXJWWSHTPI-CYBMUJFWSA-N 267.397 4.563 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2341885423 OUHUDKAADGILDW-MFKMUULPSA-N 289.728 4.586 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(C)cc1SC 2342322251 UWQISAOIHQDGSQ-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CC[C@H]1C(C)(C)C 2343142823 XMXZFEZTKYWODU-LSDHHAIUSA-N 260.421 4.624 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H]1CCCC1(F)F)NCC 2344349315 RPEDSQJYYNCJGU-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)c(CC)c1 2344350212 ZUKWGKIFJMLXNE-KRWDZBQOSA-N 259.437 4.810 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(C(C)C)ccn1 2352782235 AHGFYSGCOYGOEW-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccnc(C(C)C)c1 2353593501 MKIFOKFMBOEFRT-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CCc1cccc(Oc2ccc(C#N)c(SC)c2)c1 2353824470 LXVRRNPJBLYODX-UHFFFAOYSA-N 269.369 4.635 30 10 CJEE Cc1ccc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)cc1C#N 2357572892 QAEZPJDAZMLCGB-RYQLBKOJSA-N 268.404 4.638 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC 2358138238 KZNMCIALKHEXDZ-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCCOC[C@@H]1C[C@@H]2CC[C@H]1N2 2358905394 RKLFJUPKHMGCFC-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1[C@H]2CCCO[C@@H]12 2360180190 UFZCDLFHKWZZAS-BRSBDYLESA-N 281.484 4.530 30 10 CJEE C=C([C@H](NCC)c1cc(C)c(OC)c(Cl)c1)C(C)(C)C 2360220464 WOTJLDCCORKHOL-HNNXBMFYSA-N 295.854 4.910 30 10 CJEE C=C[C@H](C)N(C)c1ccc(C)c(Cl)c1CN[C@H](C)CC 2360535442 KQQVDTWNPFVKBS-KGLIPLIRSA-N 294.870 4.547 30 10 CJEE CCOc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 247344 MVZFLRFXIMQFPU-IYICPGQYSA-N 284.399 4.638 30 10 CJEE C#Cc1cccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 21812386 DFRSMLTZOHJRLF-IRXDYDNUSA-N 255.405 4.685 30 10 CJEE N#C[C@H](C(=O)c1cccs1)c1c(Cl)cccc1Cl 37344078 YOIJEDKBYFDYKL-QMMMGPOBSA-N 296.178 4.545 30 10 CJEE N#CCc1cccc(C(F)(F)F)c1-c1cccc(F)c1 47205199 WCKMSXGRBCYFMM-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C)c1ccccc1Cl 49509619 FAJUGKSNSHUPPH-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1cccs1 52857951 IDXHVELPHKDXIC-LBPRGKRZSA-N 276.792 4.836 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2C#N)cc1 52857996 FRYCQZHUXAHBRD-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)C2CCCCCC2)cc1 53714852 RPKZZHUBDNDUGU-SFHVURJKSA-N 283.415 4.957 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)CCc1ccco1 59090261 FFOMUFGHBUQBLM-HOTGVXAUSA-N 265.441 4.939 30 10 CJEE Cc1ccc(N/N=C/c2ccc3cccnc3c2)cc1Cl 59160978 WNGHTQCHTNARKL-RGVLZGJSSA-N 295.773 4.643 30 10 CJEE Cc1ccc(/N=C/N(C)c2ccc(C)cc2C)c(C)c1 65734904 NXSHBRTWVPUISN-XDHOZWIPSA-N 266.388 4.716 30 10 CJEE in-vitro CC/C(=N/O)c1ccccc1O[C@H]1CCC[C@H](CC)C1 71149940 VXMRCHPBYVWZOS-IAOFPLEJSA-N 275.392 4.623 30 10 CJEE N#C[C@]1([C@H]2C=CC=CC2)CC2=CCC=C(C(F)(F)F)[C@H]2C1 75933654 GYLNXEKYYJIBNH-DZKIICNBSA-N 291.316 4.857 30 10 CJEE Cc1ccccc1OCc1nc(C(C)C)c(CS)s1 82429894 YFBNMAPGNVWDSN-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(CC#N)cc2)CC1 86901751 LISPTCLKGDANIW-HNNXBMFYSA-N 256.393 4.523 30 10 CJEE C=CCC[C@@H](NCCC)C1CCC(C(C)C)CC1 87966780 LVWBDNOFTOEABP-OFLPRAFFSA-N 251.458 4.783 30 10 CJEE CCC(C)(C)C1CCC(O)([C@]2(C#N)CC[C@@H](C)C2)CC1 91875968 KXSPOUBQHMNMIW-LMMWMHBBSA-N 277.452 4.674 30 10 CJEE Cc1cccc(SC[C@H](CS)c2ccccc2)c1 94589601 MEFJODXUEGUKNN-HNNXBMFYSA-N 274.454 4.801 30 10 CJEE CCCCCCCCCCNCc1ccc2c(c1)OCO2 105837026 ADARSLIRLFXPAG-UHFFFAOYSA-N 291.435 4.646 30 10 CJEE CCCCCCCCNCc1ccccc1COCC 109898371 IGWDEVQAQLUKPX-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE CCCCCCC[C@H](COc1ccccc1)NCCC 110518450 OMKVZLXOOKOGPY-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(N)cc1Cl 115061978 CEZHKIQKLQFHBL-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE CCCCCCCC[C@H](O)C1Cc2ccccc2C1 115842656 QEKZWXHNQBSQJW-SFHVURJKSA-N 260.421 4.513 30 10 CJEE CCCCCCCC[C@H](N)CSc1ccc(F)cc1 117402399 VSEOILWGEMPWEV-HNNXBMFYSA-N 283.456 4.996 30 10 CJEE CCCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1NC 122994612 JJDKKLDHNHYXEI-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](O)c1ncc(Cl)cc1Cl 124086912 SAYMYCDSVUQQBX-LBPRGKRZSA-N 276.207 4.782 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccn([C@@H](C)CC)n1 124897551 BABOGXOQZSPCJI-WMZOPIPTSA-N 294.483 4.898 30 10 CJEE N#Cc1cccc2nc([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[nH]c12 126742749 IMONWRNOSWXFST-BFHYXJOUSA-N 279.387 4.508 30 10 CJEE Cc1cc(C)c(Nc2c(F)cc(C#N)cc2F)c(C)c1 127416175 BQPSYIXGZMMJGM-UHFFFAOYSA-N 272.298 4.505 30 10 CJEE N#Cc1cccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)c1 130020132 SXTKYNWGVGBGBV-QPEQYQDCSA-N 298.704 4.575 30 10 CJEE CCCCCCC[C@@H](CCc1ccncc1)NCCC 139625918 IGVGSRYHFFDKQY-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H](C)COC 143414588 ZCVPMEOXHMHWGM-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE CCCCCCCCCC[C@@H](N)c1scnc1C 143420261 LJVOOBLNJVNPLM-CQSZACIVSA-N 268.470 4.982 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cccnc1C 143423086 AGDQSBQGBXBSTO-QGZVFWFLSA-N 262.441 4.921 30 10 CJEE C=C[C@@](C)(CCCCCCCCC)C(=O)OCC 158334138 SDRVUWSCGSIMEV-INIZCTEOSA-N 254.414 4.883 30 10 CJEE C=C[C@@](C)(CCSc1ccccc1)CNCC(C)C 158968511 OKUUOJUFZKKMIP-KRWDZBQOSA-N 277.477 4.607 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)cc1 164398297 SBGYTMBOCRJPEF-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C1CC1 191455789 XSJVLXAMTSXCLH-UHFFFAOYSA-N 286.419 4.555 30 10 CJEE CCCCCCCC(=O)c1cc(C)c(OC)c(C)c1 213584042 BYWBIVYNJXZHGX-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE CCCCCCCCCC(=O)CCC(C)(C)CCN 226409780 YCEJUDFRAPXVTD-UHFFFAOYSA-N 269.473 4.851 30 10 CJEE N#Cc1cc(F)cc(Nc2cccc(Cl)c2Cl)c1 227606844 NXZQWZCROHWDPV-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE Cc1ccc(Oc2cccc3ccccc23)c(C#N)c1 235986214 OTYPAAIKLXSOFS-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@]1(C)C1CC1 250843442 ZAOJPIPNESOTHV-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@H]1c1ccccc1 300278122 MWKQPUQOWVWKCX-OTWHNJEPSA-N 271.448 4.905 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300520250 QHIZMMWCEFIRLB-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(F)c(Cl)c1 307947099 KSDCYIBNUJUPJE-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCc2ccncc2)CC1 312593498 DVDJCUPTEPDCNL-UHFFFAOYSA-N 270.420 4.760 30 10 CJEE C[C@]1(CC#N)CCC2(CCC(c3ccccc3)CC2)O1 312649190 JCLFOOXKKJWWHV-LXPRWKDFSA-N 269.388 4.566 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)sc2Cl)CCCCC1 312660890 HLUNSXPQTBPYLD-JTQLQIEISA-N 290.215 4.562 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC2CCOCC2)CC1 317613422 SNRQUOAIGWCIDM-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE CCCC1CCC(C#N)(COCCC(C)(C)C)CC1 328183042 NSPCHAKCJZASEB-UHFFFAOYSA-N 265.441 4.939 30 10 CJEE C=C(C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(F)(F)F 380188620 PAZLAFSYWDYLPP-LCBVDAKKSA-N 286.337 4.671 30 10 CJEE C=CCCCCN[C@@H](C)c1ccccc1C(F)(F)F 381780696 YDMVGMOIKTVAST-LBPRGKRZSA-N 271.326 4.712 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C1(O)CCC2(CCCC2)CC1 385146520 JHYFGWIXGUKHAM-RDJZCZTQSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](C)CCOC 386182196 HSMRBVNQZAKZDJ-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE Cc1ccccc1N[C@@H](C#N)C1CCC(C)(C)CC1 388237933 CYJJKNVIHIARAT-INIZCTEOSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC[C@@H](N)CN1CCCCCC1 392781026 ZSLWSBRRILISFK-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCCNCCCC(C)(C)CO 393437436 VVPWOBBQULDBRW-UHFFFAOYSA-N 271.489 4.515 30 10 CJEE 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273.411 4.782 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(C)c(C(F)(F)F)c1 693363796 SVABVHRVEFAJJT-CQSZACIVSA-N 271.326 4.631 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCCC[C@@H]1CN 695486208 CWMMNBLCVHVFDD-KURKYZTESA-N 283.500 4.643 30 10 CJEE C=C1C[C@H]2CC(NCc3cc(C)c(C)s3)C[C@@H](C1)C2 697304214 IZVLBCXYCRTUKC-XYPWUTKMSA-N 275.461 4.589 30 10 CJEE CC#CCC[C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699074095 DTBYGNAOFSNWGV-JFIYKMOQSA-N 263.469 4.621 30 10 CJEE CC#CCC[C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699074096 DTBYGNAOFSNWGV-SOLBZPMBSA-N 263.469 4.621 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCC[C@H]1C(C)(C)C 701856059 OQDPQSJZQYCSNA-CABCVRRESA-N 251.458 4.783 30 10 CJEE C#C[C@@H](NCc1ccc(-c2ccccc2)s1)C(C)(C)C 702258775 QYSVFFCIZLQEGL-QGZVFWFLSA-N 283.440 4.553 30 10 CJEE CCCCCCCCCC[C@H](NN)c1csc(CC)n1 702350176 OBVCVMWJGTWBOD-AWEZNQCLSA-N 297.512 4.741 30 10 CJEE CCCCCCCC[C@@]1(N)Cc2ccccc2[C@H]1C 704426471 OACPLKRSBZWOTR-CRAIPNDOSA-N 259.437 4.794 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCOC(C)(C)C1 704858208 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SCC1(CN2CCCC[C@H]2C2CCC2)CCCCC1 2114993403 VOQUDJPQLNGCPD-INIZCTEOSA-N 281.509 4.521 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc2ccccc2c1 2116658491 PDBSMGZCLWUVIA-KSSFIOAISA-N 253.389 4.703 30 10 CJEE C#CC(C)(C)C[C@@]1(CNCCC)CCCCC1(C)C 2117036564 MSIOHXPMLDZFAZ-GOSISDBHSA-N 263.469 4.622 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cncc(Cl)c1 2119316427 HVBHAMSVNQBXNK-ZENOOKHLSA-N 278.827 4.521 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)(C)C)CCC2(CC2)CC1 2120061291 NSMGXXWWPHDXIY-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE C[C@@H](c1cccs1)N(C)c1cc(Cl)c(C#N)cc1F 2120883199 HDXACOGPMJHLLN-VIFPVBQESA-N 294.782 4.610 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(Cl)c(C#N)cc2F)C1 2120888659 VYEJVSAHUDERQV-PWSUYJOCSA-N 281.758 4.698 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(C)on1 2124229934 VRFLDUOOCQWQED-OAHLLOKOSA-N 266.429 4.774 30 10 CJEE CCc1ccccc1C(=O)C1=CC[C@@H](C(C)C)CC1 2125180485 LGIXMECBWHWWJT-OAHLLOKOSA-N 256.389 4.814 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@H](COC)C1 2125350465 JLAIWHYNZCSLQS-BBWFWOEESA-N 270.457 4.551 30 10 CJEE C=C1CC(C[C@H](N)c2ccc(Cl)cc2C(F)(F)F)C1 2125735951 PLSPGFGOKSELTL-ZDUSSCGKSA-N 289.728 4.715 30 10 CJEE CCCCCCCCCC[C@]1(CO)CCO[C@H](C)C1 2126480865 AKKXUNHLSHHRCN-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCC(CS)(CCC)CN(C)CCC[C@@H]1C[C@@H]1C 2126503269 QBQLHHXTCBUMRO-JKSUJKDBSA-N 285.541 4.871 30 10 CJEE CCCCCCCCC[C@@]1(O)CO[C@@H](C(C)(C)C)C1 2129128912 NRZHGXKUYGXHGZ-WBVHZDCISA-N 270.457 4.693 30 10 CJEE N#Cc1cc(Cl)cc(Oc2nc3ccccc3s2)c1 2129929421 IQORREAJLCSRJG-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCCCCCOC[C@@H](NCC)C1(C)CCCC1 2131188608 WMFUNXVSIPGLDW-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=C1CC(C[C@H](NCC)[C@@]2(C)CCCC(F)(F)C2)C1 2132148022 URMOFFNFZREQFU-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE CC(C)C(CC[C@@]1(C#N)CCCOC1(C)C)C(C)C 2132750618 OCGIHPYWPOSGCJ-QGZVFWFLSA-N 265.441 4.794 30 10 CJEE C=CC1(CNC[C@H]2CCCC(C)(C)C2)CCCCC1 2132978115 WXMTZKNCNHBAEP-INIZCTEOSA-N 263.469 4.929 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C(C)C 2135424110 NJCLFCJZCZFZFA-ZACQAIPSSA-N 268.489 4.641 30 10 CJEE CCCCC#CC[C@H](NC)c1ccc2sccc2c1 2138959284 QLUNWHJYGRJFSC-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C=CCCCCCCCC[C@@H]1C[C@@H](COC)CC1=O 2142390873 ACMXZQGCVUEFFK-HZPDHXFCSA-N 266.425 4.535 30 10 CJEE C=CCCCCCCCCCC(=O)Cc1cscn1 2142442013 QOQLAJPHGUCPQG-UHFFFAOYSA-N 279.449 4.952 30 10 CJEE C=CCCCCCCCC[C@@H](NN)C1CC(CC)C1 2142442121 RZDYCSCBNFQREA-OFLPRAFFSA-N 266.473 4.561 30 10 CJEE CCC[C@H](CC)Oc1ccc(C(F)(F)F)c(C#N)c1 2142459873 ZPOZWGNCANWCEI-NSHDSACASA-N 271.282 4.535 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)C(C(C)C)C(C)C)CC1 2143626850 XOIOOOPAZHSKOH-NXYGQSRBSA-N 279.468 4.776 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@H](C2CCCC2)C2CCC2)N1 2146578034 PUSHPEWUQBOVBJ-WBVHZDCISA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1(O)CC(C)C1 2148606599 BRNJCCMJQHCZLC-ADKAHSJRSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(N)CCCC1(C)C 2149474437 DAZZHDBLWKMWJZ-SFHVURJKSA-N 281.484 4.994 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)C(C)(C)C1CCCC1 2149631952 KBQCBQFXVGQJKC-KRWDZBQOSA-N 281.484 4.552 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)C1C[C@@H]2[C@@H](C1)C2(C)C 2149745575 ZWODBHISMUPUPT-COLVAYQJSA-N 288.822 4.694 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C[C@H](F)CN1 2151877163 ANQCGAFEAGLUFT-HOTGVXAUSA-N 285.447 4.567 30 10 CJEE C=C([C@@H](NCC)C1(OCC)CCCCCC1)C(C)(C)C 2152927687 VGYPHBWPORIDRK-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CC(C)(C)C[C@H]1CNC(=NCCC2(C)CCCC2)SC1 2156338953 YNMMUNSKNZVXEH-AWEZNQCLSA-N 296.524 4.702 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](N)C12CCC(C)(C)CC2 2157079744 RLDOTEHNOMLBIJ-CVEARBPZSA-N 281.484 4.660 30 10 CJEE C[C@H](N(C)CC1(CS)CCCCC1)C12CCC(CC1)C2 2157571183 IQOAZWDCIGUMOH-HJOIGYKYSA-N 295.536 4.767 30 10 CJEE CCCCCCCCOC[C@@H](NC)C1(C)CCCCC1 2157606444 OIUDEGYBQYZSKU-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C[C@@H](N[C@H](C)C1(C)CCCCC1)c1ccc(C#N)cc1 2157611287 BVFUIOICOCLSFK-HUUCEWRRSA-N 270.420 4.568 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)CC1 2159449314 LUDNXDSZPOJVTI-OCCSQVGLSA-N 291.826 4.768 30 10 CJEE CCCCCCCCCNC[C@H](C(CC)CC)N(C)C 2160462642 IZAMLOCLUYVWJJ-GOSISDBHSA-N 284.532 4.693 30 10 CJEE C=C([C@@H](NCCC)c1coc(C(C)(C)C)n1)C(C)(C)C 2160629388 OOOQYAMKKHIFDJ-CQSZACIVSA-N 278.440 4.615 30 10 CJEE CSc1cccc(N(C)[C@@H]2CC[C@@H]2CC(C)C)c1C#N 2161941242 WLRHVJSMTQNCER-UKRRQHHQSA-N 288.460 4.541 30 10 CJEE C=CCOc1ccccc1[C@H](N)C[C@H](CC)CCCC 2164040183 XCZQEENBUFUZIY-NVXWUHKLSA-N 275.436 4.858 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1NC1CC2(CCCCCC2)C1 2164837129 SPYBHGXKKPYTRC-RDJZCZTQSA-N 274.452 4.551 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc3ncccc3s2)CC1 2164959200 YZSGBNCFULEKQV-CQSZACIVSA-N 286.444 4.693 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166171270 NNBGRLNZUSNUPS-ISTRZQFTSA-N 288.822 4.982 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc2ccccc2c1 2168323492 IIEMRLBRJLRPOO-KXBFYZLASA-N 266.384 4.778 30 10 CJEE Cc1cc(N(C)[C@H](C)[C@@H]2CCC[C@H](C)C2)ccc1C#N 2168527591 SJQDFNOFWFMCQF-NUEKZKHPSA-N 270.420 4.518 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCCCC(F)(F)C1 2168897974 VHOQJLZRJYRDAJ-ZDUSSCGKSA-N 298.764 4.616 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1csc(C2CCCC2)n1 2169864027 QUIBEIQIRHGKEC-CQSZACIVSA-N 292.492 4.534 30 10 CJEE N#CC[C@@H](c1ccccc1)N1CCC[C@@H]1c1cccs1 2169961413 KYFZNXJBVCUTOY-JKSUJKDBSA-N 282.412 4.540 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(C(F)(F)F)c1 2173290804 RNZMITGACYRQJX-SWLSCSKDSA-N 285.353 4.958 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2ccccc2C(C)C)CC1 2174249664 UPVUNQUVMRARRD-GMXGEUMGSA-N 271.404 4.563 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccccc2C(C)(C)C)C1 2174279016 RXANHOASLRFAEC-BEFAXECRSA-N 272.432 4.922 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CCC[C@@](F)(C2)C1 2175544445 FTXYBQZPQJZDJS-XHBSWPGZSA-N 292.785 4.684 30 10 CJEE CC1(C)Cc2ccccc2N(CC2(CS)CCCC2)C1 2175684861 RPRUHVFENICPRF-UHFFFAOYSA-N 289.488 4.566 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)CCCC=C1C 2175812015 WVHOZHURLRWSCV-SFHVURJKSA-N 280.452 4.948 30 10 CJEE C=CC[C@H](C)Oc1c([C@@H](C)NCCC)ccc(Cl)c1F 2176951896 YKJMGGSLIJMGLX-NWDGAFQWSA-N 299.817 4.883 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1CC(C)(C)OC1(C)C 2179677162 JKDYTIKXVUJDMY-JKSUJKDBSA-N 281.484 4.695 30 10 CJEE C=CCCCC[C@H](NCCC)c1ccncc1C(F)F 2179681363 WLDIPJJSPYHVOB-HNNXBMFYSA-N 282.378 4.806 30 10 CJEE C=CCCCC[C@@H](NC)c1ccccc1OC(F)(F)F 2179683789 XTROMEZGMDCIBU-CYBMUJFWSA-N 287.325 4.592 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CC[C@]12CCC[C@H]1C2 2182089209 ATDVNBUKDKDQPO-SZMVWBNQSA-N 280.452 4.637 30 10 CJEE C=CC[C@@](C)(NCc1ccc(CC(C)C)cc1)C(F)F 2182187234 LCBOGZSZJBNRTI-QGZVFWFLSA-N 281.390 4.575 30 10 CJEE C=CC[C@](C)(NC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)C(F)(F)F 2182191120 SAAQNAJOBVYRBT-XPCVCDNBSA-N 289.385 4.545 30 10 CJEE C=CC[C@](C)(Nc1ccc(C(F)F)cc1N)C(F)(F)F 2182192287 PVBHCRIHHUFIPP-LBPRGKRZSA-N 294.267 4.515 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SC[C@H](C)CC)CC(C)(C)C1 2183514343 UUQDRWYUGUETSM-HLLBOEOZSA-N 296.524 4.606 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@@H]1C[C@@H]2CC=CC[C@@H]2C1 2184453205 BUFSPYFRBPRZRX-PJXYFTJBSA-N 290.769 4.507 30 10 CJEE Cc1nc([C@]2(C#N)CCCC(F)(F)C2)sc1C(C)(C)C 2184849108 MBJCWOLLICUQGQ-CQSZACIVSA-N 298.402 4.720 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(C(C)(F)F)n1 2185932716 OFTBMTLSGVBUQK-OLZOCXBDSA-N 280.362 4.740 30 10 CJEE CC(F)(F)c1ccc(Oc2cc(Cl)cc(C#N)c2)nc1 2186486714 KQPRPHMQWXJQSM-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CCCN[C@H]1C[C@@H](CC#C[Si](C)(C)C)CC2(CCC2)C1 2187469243 XIQCTNPUEJLVNS-SJORKVTESA-N 291.555 4.596 30 10 CJEE CCCCCCCCCc1nc([C@H]2C[C@H](F)CN2)cs1 2187978979 HNJPJHFELFOCSU-UONOGXRCSA-N 298.471 4.809 30 10 CJEE CCc1ccc(C#N)c(N[C@H](CC)CCC(F)(F)F)c1 2188844784 KVLQLYACLDLODH-CYBMUJFWSA-N 284.325 4.654 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2csc(C3CC3)n2)CC1 2188855370 PUARAMGNSHRMBX-OAHLLOKOSA-N 290.476 4.808 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1C[C@H]2CC[C@@H]2C1 2189024878 OMFWCKSSKYVDCD-IAGOWNOFSA-N 297.552 4.871 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CCOCC1(C)C 2189769187 JHIGFAOMHSXEKX-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C=O)CCOC12CCCCC2 2190280929 XEPUSCPZOBVGTI-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)C[C@](C=O)(CC)C(C)C)CC1 2190460209 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C=C(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 2197145631 DWQNAQHAKTUMOX-KGLIPLIRSA-N 282.305 4.638 30 10 CJEE CCCCN(c1cccc(F)c1C#N)C1CCCCC1 2197162797 OUYMIOKPCPXKRS-UHFFFAOYSA-N 274.383 4.637 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CC23CCOCC3)CC1 2198335034 MDGOXMRUFRYQLS-DOTOQJQBSA-N 275.436 4.693 30 10 CJEE CCCCC#CC[C@@H](NCC)c1csc(C(C)(C)C)n1 2203808955 BDUCTTKQFUHVTE-CQSZACIVSA-N 292.492 4.675 30 10 CJEE CCCCC#CC[C@@H]1CC(C)(C)CC[C@@H]1CNC1CC1 2203833845 ONRWJEONHAAACY-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC[C@H](O)[C@](C)(N)C1CCCC1 2204210619 NIWPEVWOHHTUPV-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE C=CCCCCCC[C@@](N)(CC)c1ccc(OC)cc1 2206902351 JFRMVAXEFIZWQL-SFHVURJKSA-N 275.436 4.786 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc2ccccc2cn1 2206988121 BKZIUQGQPSGUJZ-GOSISDBHSA-N 269.388 4.795 30 10 CJEE C=CCCCCCCCCCN1C[C@H](C)OC(C)(C)C1 2207383059 YTMUEXAHMCDNSA-KRWDZBQOSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@H](CN(C)CC)NCC 2207406266 WGILOGOXLPJPEW-GOSISDBHSA-N 282.516 4.613 30 10 CJEE 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CC(C)(C)C#CCN[C@H]1CCCC[C@@H]1C1CCCCC1 2238714904 DMJDCACPOXUIDD-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)c1cnsc1 2239463523 NTXPWJPKCGZZOJ-MRXNPFEDSA-N 298.496 4.561 30 10 CJEE C=C[C@H](CCCCC)O[C@]1(C(=O)O)CCC[C@H](C)CC1 2239494542 FDOBNTOQKJOFMJ-ZMSDIMECSA-N 282.424 4.562 30 10 CJEE C=C[C@H](CCCCC)O[C@](CC)(C(=O)O)C1CCCC1 2239499262 AJOCQXWTLLDOMY-WBVHZDCISA-N 282.424 4.562 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](CC)(C(=O)O)c1cccs1 2239505478 REIJZZOYUFTZGD-XJKSGUPXSA-N 296.432 4.590 30 10 CJEE CCCCCCCCCCOc1cccc([C@H](C)N)n1 2239508115 RJUPYWATFFFPCA-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE CC(C)c1ccc([C@H](N)C#Cc2ccc(Cl)cc2)cc1 2239569327 PHKXUDLQLCNUKT-GOSISDBHSA-N 283.802 4.515 30 10 CJEE CCCCCCCCOc1csc(CN[C@@H](C)CC)n1 2240063837 NAEAUHIDPNSTGD-AWEZNQCLSA-N 298.496 4.771 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CCC)CC(C)C 2240562889 QCKDLYXFJCZJHV-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)CC1CCCC1 2240575932 VBEJTINKVLRTQP-GOSISDBHSA-N 282.516 4.576 30 10 CJEE 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296.329 4.569 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(F)c1 2337078709 FUMPFHUGHNFULE-JKIFEVAISA-N 261.384 4.530 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)(C)C 2337111223 JRSSOIKXIXYWMF-WCXIOVBPSA-N 263.469 4.926 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)C(CC)(CC)CC 2338249965 QQSSIIUWPHDIGX-INIZCTEOSA-N 277.477 4.684 30 10 CJEE C=CCC(CC=C)[C@@H]1CCCC(C)(C)[C@@H]1NCCC 2338665807 KXMATRCBQNYSFY-DLBZAZTESA-N 263.469 4.949 30 10 CJEE C=CCCCSc1ccc(C[C@@H](C)N)c(C2CC2)c1 2339165674 LAFQCOZIQGTUDJ-CYBMUJFWSA-N 275.461 4.512 30 10 CJEE CCCCCCCC[C@](C)(CCSC)OCCCN 2340121176 VARZRMMQPSWPPW-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1ccc(C(C)(C)C)cc1 2341882254 BUNYXBRGZIKKIZ-IRXDYDNUSA-N 257.421 4.601 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(CC2CC2)c1 2341921382 FOYNZQVRINIZHN-SFHVURJKSA-N 257.421 4.646 30 10 CJEE C=CC[C@H](CNCCC)Cc1cccc(C(C)C)c1 2343792156 CYNVANDYVOWHIA-KRWDZBQOSA-N 259.437 4.544 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC12CCC2)NCC 2344381804 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CCc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1 37306465 BQAQETFGYMWSJB-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334046 AWQBRIHOQLAMAI-RISCZKNCSA-N 297.320 4.925 30 10 CJEE Cc1cc(C)cc([C@H](C#N)Nc2ccccc2Cl)c1 43394620 YFANJFXVPXUDKP-INIZCTEOSA-N 270.763 4.634 30 10 CJEE Cc1ccc(C#N)c(Oc2cc3ccccc3cc2O)c1 51595976 YDZDOFKDBMJZNV-UHFFFAOYSA-N 275.307 4.518 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 70308048 QJWLHVCTXYEBMM-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H](CC)C1 80457271 LEGWVFDPQJZXGW-UONOGXRCSA-N 261.434 4.955 30 10 CJEE N#CC1(Cc2ccc(C(F)(F)F)cc2)CCCCC1 87929945 NPOYXKOHZHGIKI-UHFFFAOYSA-N 267.294 4.722 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc([N+](=O)[O-])c2C)C1 87972383 VTSAUQPBEPMOMI-PBHICJAKSA-N 286.375 4.556 30 10 CJEE Cc1ccc(OC[C@@H](CS)C(C)C)c(C(C)(C)C)c1 94583451 UQVKNNVIQOHZBO-AWEZNQCLSA-N 280.477 4.873 30 10 CJEE C[C@@H](CCS)CCOc1cccc(C(C)(C)C)c1 94584373 UFVWOEQMIXEQFE-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC(CC)(CC)C2)C1 94802949 VNYQNRBRBTUXPC-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE CC(C)Cc1ccc(CNc2ccc(F)c(C#N)c2)cc1 94896342 CJPZIDVSRSQHBU-UHFFFAOYSA-N 282.362 4.508 30 10 CJEE CCCCCCCNC[C@H](C)Oc1ccc(CC)cc1 100027334 PHCQYWQEVJLMPR-INIZCTEOSA-N 277.452 4.576 30 10 CJEE C=CCSc1ccccc1N[C@H](C)C1CCCC1 103969656 BNPSTECVMXLIDM-CYBMUJFWSA-N 261.434 4.955 30 10 CJEE CCCCCCCn1cc(CO)c2c(C)cc(C)cc21 106614544 ZBLLQEPCNBLPOO-UHFFFAOYSA-N 273.420 4.721 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]([C@@H]2CCCN2)C1 109687781 SNVDGPZMPFMLNQ-MOPGFXCFSA-N 294.527 4.591 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCC[C@@H]2C(C)(C)C)cc1 110028510 SXUDACUGNMPCMK-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE C[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(C(F)(F)F)c1 110256551 FETNTTIMPDQKSJ-XHDPSFHLSA-N 296.336 4.592 30 10 CJEE C[C@H](CC(=O)[C@H](C#N)c1ccccc1Cl)C(C)(C)C 111650599 MWLQQUXQAHYJGW-DGCLKSJQSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@@H]1C1CC1 114067350 WMFWEYMPDLPAME-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC(=O)c1ccc(OC)cc1F 115062267 OZXHOBFVLNMVGA-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NCC[C@@H]1C 115267636 QRPDDYIEVKNMPJ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](NCC)C12CCCC2 117341567 AXCVTAMVDVOUCJ-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCOCC[C@@H]1CCC[C@H]1NCCC 118779330 DQQSUVBBPHBENN-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](CN)c1ccc(Br)cc1 118846416 POIFYJJVLWRUNV-AWEZNQCLSA-N 298.268 4.852 30 10 CJEE CCCCCCCCCN[C@@H](C)c1ncc(C)s1 124375449 UTWLCMFNIMCJPA-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H](C)OC 129154276 MBLFANNLJFNUBZ-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](Cc1cnn(CC)c1)NCC 132258040 HCUBYZXETZGBDI-SFHVURJKSA-N 293.499 4.564 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)C 156070199 MDEMFKHVVBDJFH-YESZJQIVSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 156135039 CNTLSVVSCYFEJL-YESZJQIVSA-N 251.458 4.785 30 10 CJEE CCCCCCCCNc1ccnc(NCCC)c1 156835200 XNFPNFJRDQGIOW-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 162619796 LGXVUXRVQXAZCM-IUCAKERBSA-N 276.182 4.748 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(Cl)c2cccnc12 166502728 VXPGQAAECKOLSY-MRXNPFEDSA-N 293.757 4.565 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(Cl)cc1OC 168212403 DBEWBPLZQNGFCN-CQSZACIVSA-N 270.800 4.743 30 10 CJEE CC#CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC(C)C 169068730 AYEGXSDTBKPFJO-GUDVDZBRSA-N 277.496 4.868 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCC(C)(C)CC2)C1 218597158 LQJLNKRWSZANEK-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](CC)C1 229231609 WHRPFVLKOPEFFE-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cscc1C 229597888 AEBAWHRIZJRBIC-OAHLLOKOSA-N 268.470 4.702 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)CC1CCC1 229690075 OXFVSCDJCXAODF-ZDUSSCGKSA-N 261.434 4.955 30 10 CJEE CCCCCCC[C@H](NC)c1cnc(C(F)(F)F)s1 232928381 BNKBXOQDIQBOJL-JTQLQIEISA-N 294.386 4.783 30 10 CJEE CCCCCCCCNc1cnc(Cl)c(C)c1 232945468 UUHRGDGYQDRGSW-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CCCCCCCC[C@]1(CNC)C[C@H]2CC[C@H]1C2 250803917 DZMODFNRPSAAIG-YESZJQIVSA-N 251.458 4.763 30 10 CJEE Cc1c([C@H](C)N[C@H]2CCC[C@H]2C#N)sc2ccccc12 251026667 WFSYPROWJKTKFO-YDHLFZDLSA-N 284.428 4.553 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@H](C#N)c2ccc(Cl)cc2Cl)C1 252208377 XOQZCKGEOHVILA-UEKVPHQBSA-N 297.229 4.536 30 10 CJEE CCC(=NO)c1ccc(O[C@@H]2CCCC[C@H]2CC)cc1 252461738 SBKPIODKRBDACG-CXAGYDPISA-N 275.392 4.623 30 10 CJEE C[C@@H]1CCCc2ccc(C3(C#N)CCCCC3)cc21 260618661 LXMVJHWGAIQXSZ-CQSZACIVSA-N 253.389 4.852 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CCCCC2CCOCC2)C1 311333167 IVLJQGFUJNGSAG-WBVHZDCISA-N 263.425 4.693 30 10 CJEE C=CCC(C)(C)CNc1cccc(SCC)c1C#N 311941589 WGWHINQTIFIRFW-UHFFFAOYSA-N 274.433 4.684 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc2c(s1)CCC2 312298405 TUAZORRWVZIUGG-HNNXBMFYSA-N 289.488 4.717 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(OC(F)(F)F)c1 313017157 XEVPOFJYXSKZIX-CQSZACIVSA-N 288.309 4.755 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317317874 ORDTXLWWITYCJS-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE Cc1cc([C@]2(C#N)CCC[C@@H](C)C2)nc2ccccc12 380645746 XYTMNFXMCFCKRS-FZKQIMNGSA-N 264.372 4.515 30 10 CJEE CCCCCCCCCCCC(=O)Cc1csnn1 381875958 OFRRCFCFEZECPH-UHFFFAOYSA-N 282.453 4.571 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(SC)cc1 383599333 NWHTTWPUQRKGPZ-QGZVFWFLSA-N 289.488 4.889 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 385327037 NPPYXCHGMNCKHS-CQSZACIVSA-N 284.230 4.694 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)CCC(C)C)CC1 388522002 JSJASOVDYGBXLF-AQFXKWCLSA-N 265.441 4.674 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCCC1(F)F 390643509 HVJXKPLNEQZXTF-KBPBESRZSA-N 261.400 4.760 30 10 CJEE N#CCc1cc2sc(C(F)F)cc2cc1Cl 396186103 FSOCAWIYBIXJQJ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@H](CNc1c(F)cccc1Cl)C1CCCCC1 397166280 ZJAKEKDAXMIZBZ-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE CC(C)[C@H](C#N)CNc1cc(Cl)cc(C(F)(F)F)c1 397515085 RWJLFTDZGGUTTB-SECBINFHSA-N 290.716 4.566 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cc(F)c(C)cc1F 398173637 MAYJWOSHWZKOFS-STQMWFEESA-N 267.363 4.669 30 10 CJEE C=CCCC[C@H](C)NCc1c(Cl)oc2ccccc12 398206626 YHQILPLSDIFZBQ-LBPRGKRZSA-N 277.795 4.921 30 10 CJEE C[C@]1(c2c(Cl)cccc2Cl)CCC[C@@H](CC#N)O1 400826089 UOTBODDBZLVULL-IINYFYTJSA-N 284.186 4.691 30 10 CJEE C=C[C@H](C)ON[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 400946481 VUODQPPIMBULIK-YUMQZZPRSA-N 294.609 4.804 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](CC)CC(F)(F)F 402701340 IGCCHVLKUXUJKX-OLZOCXBDSA-N 282.394 4.548 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2ccccc2s1 686697913 WNOOUQORUWVOSS-OAHLLOKOSA-N 271.429 4.746 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CC1(c2ccccc2)CCCC1 686745656 YNMPMSYKFCNCKW-APWZRJJASA-N 270.416 4.894 30 10 CJEE C=CCC[C@H](C)Nc1cccc(C(F)(F)F)c1C 689652114 BQDGCLUQBYCBTB-JTQLQIEISA-N 257.299 4.780 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@H]1C[C@@H]1OC 690066027 BAQISLFMKFPNCI-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCNCC1CCC2(CC1)CC2 695708788 OYFBTGRGCUIAGU-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE CN(CC1CCC2(CC1)CC2)c1cc(Cl)ccc1C#N 696191344 ZDOQNRZNUWKBMZ-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)o2)c2ccccc12 698073401 ASLARHQWBFYCSP-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE CCCCCCCCCCNc1nccnc1C1CC1 699536727 VKFWQMSSWRUDTN-UHFFFAOYSA-N 275.440 4.907 30 10 CJEE CC1(C)CN/C(=N/CC2CC(C)(C)CC(C)(C)C2)SC1 699569948 VYSUKCCNJLCLMC-UHFFFAOYSA-N 296.524 4.558 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CC1(F)F)NCC 701153109 WVJRDKWQFLIRHH-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CC(C)(C)c1ccc(C2(C#N)CC(C3CC3)C2)cc1 701859129 XWOCCFBKJJSHTD-UHFFFAOYSA-N 253.389 4.565 30 10 CJEE N#CC1(Cc2cncc(Cl)c2)CCCCCCC1 703682115 FECIHQDRCIQLKC-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CCCC(C)C 703967583 BJBJFSRXVCAEOX-LSDHHAIUSA-N 296.455 4.740 30 10 CJEE CCCCCCCCCNCC1C[C@@H]2[C@@H](C1)C2(F)F 710486791 KWHUSIIFOPCXES-HUUCEWRRSA-N 273.411 4.618 30 10 CJEE C=C(Cl)C[C@H](CCCc1ccccc1)NCCC 710646842 WVYJBIVDNLLZOH-INIZCTEOSA-N 265.828 4.520 30 10 CJEE C=CC(C)(C)CCNC[C@H]1CCC[C@H](C(F)(F)F)C1 713009596 UFATYUSDFAAKDV-STQMWFEESA-N 277.374 4.547 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCC2(CCC2)O1)NCC 716883617 DEEIESFPUSFWIB-DLBZAZTESA-N 279.468 4.593 30 10 CJEE CCCCCCCCCCC1(CO)CC(F)(F)C1 720365634 DGHNKKVPVKODGQ-UHFFFAOYSA-N 262.384 4.925 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1CC12CC2)NN 722832320 JEIYDSJUDPSZGX-DLBZAZTESA-N 280.500 4.929 30 10 CJEE C[C@H]1CC(C#N)(C[C@H](C)CC(C)(C)C)C[C@H](C)O1 724237882 YSGUQECEYCPHQR-RDBSUJKOSA-N 251.414 4.546 30 10 CJEE C=C1CCC(CNc2c([N+](=O)[O-])ccc(Cl)c2C)CC1 724452577 NPZIAJXCEXPEFP-UHFFFAOYSA-N 294.782 4.715 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(F)c2C)CC1 724556673 AAGWTFUERBMZLT-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE C=C1CCC(CSc2cccc([C@H](C)O)c2)CC1 724594635 FQTFOXSPPDQIFH-ZDUSSCGKSA-N 262.418 4.578 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@]23CCCC[C@@H]2C3)CC1 724616435 KXWHAWJOTHCMOA-SQNIBIBYSA-N 261.453 4.681 30 10 CJEE CC[C@@](C)(C#N)c1ccc(C(F)(F)F)c(C(F)(F)F)c1 725428575 ZARMDOIQMKSHRV-NSHDSACASA-N 295.226 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CCCCCCCC[C@H](NCC)c1csnc1OC 712924578 LHXFKKXOAKSZGV-AWEZNQCLSA-N 284.469 4.553 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CCC3(CCC3)CO2)CC1 716348626 YAMYXLSTTOHXKS-OAHLLOKOSA-N 275.436 4.836 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)C[C@H](C)CO1 718380671 CZAFAVJQDSJBOQ-ROUUACIJSA-N 283.500 4.920 30 10 CJEE C[C@@H](Oc1ccc(Cl)cc1C#N)C1CCCCC1 719752701 CEHXSOQSDYHSJW-LLVKDONJSA-N 263.768 4.559 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCCC2(CC2)C1 723433923 NKSGVKQZBAWSSA-HNNXBMFYSA-N 281.509 4.521 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1C[C@H](C)O[C@H](C)C1 724257122 DFLVFHWRDABNPN-WCXIOVBPSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@H](O)C(C2CCC2)C2CCC2)CC1 724552401 LIDNYCNRFZLCBJ-KRWDZBQOSA-N 262.437 4.700 30 10 CJEE C=C1CCC(C[C@H](N)C2CCC(C(C)C)CC2)CC1 724592054 HVGJZSVHOKNYJK-ABHNRTSZSA-N 263.469 4.913 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC3CCC2CC3)CC1 724595986 DZBBXYBNPHGZIW-AWRGBYNESA-N 275.480 4.927 30 10 CJEE Cc1cc(C)cc(N=Cc2ccc(Br)s2)c1 1084280098 SUUSNMVXWLVBGQ-UHFFFAOYSA-N 294.217 4.878 30 10 CJEE C=CCCCC(=O)N[C@H](CCCCC)c1ccccc1 1125760486 VRDLWLJKDKTCND-QGZVFWFLSA-N 273.420 4.781 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](CC)CC1CCCC1 1126398671 XQSIOIAYGWCGGZ-QGZVFWFLSA-N 279.468 4.798 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CC)CCCC 1128304732 HRHOKCFSNRERIE-HNNXBMFYSA-N 273.420 4.960 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(CC)c(Cl)c2)CC1 1128724396 AEANUYBZGTUOSD-UHFFFAOYSA-N 277.795 4.587 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)CC2CC(C)C2)c1 1168097401 VYWQVFJLHZSFAX-UHFFFAOYSA-N 289.422 4.721 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C(/C)C1CC1)c1ccccc1 1176187255 APJKPPITMPUXDN-OUFNUQFJSA-N 283.415 4.557 30 10 CJEE C=CCCCCCSc1ncccc1Br 1188805675 JHZRPUPWHYYCLR-UHFFFAOYSA-N 286.238 4.683 30 10 CJEE C=CCOc1cccc(CNc2ccc(SC)cc2)c1 1199514330 JIFZRRZNHMYOTB-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE C=CCCCCCN(C)Cc1nc2cc(C)ccc2s1 1307486908 ZMTUSYMUVDAWHC-UHFFFAOYSA-N 288.460 4.783 30 10 CJEE C=CCOc1cccc(CNc2cccc(SC)c2)c1 1308211643 ZCVOMQKOGLXGKI-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE C=C(C)CNCc1ccc(-c2cccc(Cl)c2Cl)o1 1308401387 MZGGPWSHJHWKGD-UHFFFAOYSA-N 296.197 4.919 30 10 CJEE C=CCCCCCN(CC)[C@@H](C)c1cccc(OC)c1 1459345271 DTNLARWWUSJZTQ-INIZCTEOSA-N 275.436 4.825 30 10 CJEE C=CCCCCN(CC)CCc1ccc(C(F)(F)F)cc1 1460279081 YDNVIQABLHTFBY-UHFFFAOYSA-N 299.380 4.926 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cccc(C(C)C)c1 1465046900 COEFVOBTYAIAES-UHFFFAOYSA-N 274.408 4.534 30 10 CJEE C=CC1(CC(=O)N2CCC[C@H](C/C=C\C)C2)CCCCC1 1470788258 UGOOBSWIZTWDTB-IVZVJUQRSA-N 289.463 4.718 30 10 CJEE C=CCOc1ccc(CNCCCC2CCCCC2)cc1 1474515463 URURWWORGNOYLV-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@H](C)C[C@H]2C)CCCC1 1474626742 ZTXLRUSEMNDSDA-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CC#CCCCC(=O)N1CCC[C@@H]1CCC1CCCCC1 1517729897 SICRFXOPRSGANG-GOSISDBHSA-N 289.463 4.532 30 10 CJEE C=CC[C@@H](CC)NC(=O)C=C1CCC(C(C)(C)C)CC1 1524815114 GSUUEXFCVJQCKO-OEMAIJDKSA-N 277.452 4.620 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(C2CC2)cc1)c1ccccc1 1528631780 IRBYSKDHDXVEMH-GOSISDBHSA-N 278.351 4.648 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CC2CCCCC2)CCCCC1 1538576623 CDMBOVMOKRDUCQ-MRXNPFEDSA-N 291.479 4.988 30 10 CJEE C=CCCCN(CC)C(=O)C[C@@H](C)c1ccc(CC)cc1 1539485702 QQSVAWZDLFUERQ-MRXNPFEDSA-N 287.447 4.557 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 1562100484 AGQGUMVMZMGATR-OAHLLOKOSA-N 286.419 4.630 30 10 CJEE C=C1CCC(CNC(=O)c2ccc(C)c3ccccc23)CC1 1584070067 YJJHWMSTWXYJQQ-UHFFFAOYSA-N 293.410 4.624 30 10 CJEE CC(=O)c1cccc(C#Cc2cc(Cl)ccc2Cl)c1 1614827089 KGOKIZUVEYBBEX-UHFFFAOYSA-N 289.161 4.596 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(SC(C)C)cc1 1616680709 LPPIGLRAHZWKHU-UHFFFAOYSA-N 291.460 4.615 30 10 CJEE C=CC[C@H](C)N1CC[C@@H](c2ccccc2)c2ccccc21 1620488342 WIVDIGIWJBAJLT-WMZOPIPTSA-N 277.411 4.993 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cnc(-c3ccccc3)s2)C1 1620824104 RBEMYLIYLMNQKM-GDBMZVCRSA-N 298.455 4.645 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccc(F)cc1 1621434234 ORIJQPKIUMXUEX-KVSKMBFKSA-N 289.438 4.871 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(NC2CCCC2)c1 1641476799 YYZKBEDFQWIRPG-UHFFFAOYSA-N 286.419 4.582 30 10 CJEE C=CCCCCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 1641884047 SXGQKUKEYAFRPO-QAPCUYQASA-N 275.411 4.955 30 10 CJEE CCCCCCCCCN1CCC[C@H](CCF)C1 1647756764 CDUYRNMMCAWTKR-MRXNPFEDSA-N 257.437 4.809 30 10 CJEE C=CC(C)(C)CNc1nc2cc(Cl)cc(Cl)c2o1 1651062489 MHDNVNLSTSEREL-UHFFFAOYSA-N 285.174 4.759 30 10 CJEE C#Cc1cccc(CNC2CCC3(CCCCC3)CC2)c1 1651213061 NELVEECRMRNVMI-UHFFFAOYSA-N 281.443 4.651 30 10 CJEE C#CCCCCCCNCc1ccc(C(F)(F)F)cc1C 1652210194 RRODYFGTZAAHFH-UHFFFAOYSA-N 297.364 4.687 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)[C@@H]1c1ccccc1 1655551332 CXEMUQVEMZFANS-IEBWSBKVSA-N 269.432 4.653 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccc(F)cc2)s1 1657269649 GIXVZVMNBYFJDP-OAHLLOKOSA-N 289.419 4.999 30 10 CJEE C#CCCCCCCN(CC=C)Cc1ccc(Cl)s1 1658666444 LXJPUGUYAARMOJ-UHFFFAOYSA-N 295.879 4.973 30 10 CJEE CCCCCCC[C@@H](C)NCC(C)(C)[C@H]1CCCCO1 1658675289 ACRAOCBGHRBGKF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=CCC[C@H](CCC)N[C@H](CC)c1ccccc1OC 1659880691 WINBBYXAUVJCBT-DOTOQJQBSA-N 275.436 4.871 30 10 CJEE C=C(C)c1cccc(NCc2ccc(Br)o2)c1 1660849908 FYFQJELMVYCPEJ-UHFFFAOYSA-N 292.176 4.687 30 10 CJEE C=CCC1(CN[C@H](CC)Cc2ccccc2)CCCC1 1664713188 QCNQKOAIPDJBMX-GOSISDBHSA-N 271.448 4.734 30 10 CJEE N#Cc1ccc(-c2c(Cl)ccc(Cl)c2Cl)nc1 1848375154 OYTUNWFXDTVIHA-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#CCc1ccc(Cl)c(-c2ccc(Cl)cc2Cl)n1 1848377788 SNKGRFAHDNXWNU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCN(CCC#N)CC1CCCC1 1883312431 FRYHIBBZYVJEFJ-UHFFFAOYSA-N 264.457 4.753 30 10 CJEE C#CC[C@H](COc1ccc([C@H](C)CC)cc1)C1CC1 1887075221 ZVIWGDGKGSSRCX-RHSMWYFYSA-N 256.389 4.628 30 10 CJEE C=C1CC(CNC(C)C)(Cc2cc(Cl)cc(Cl)c2)C1 1893131928 CLPATBHKSMHMQL-UHFFFAOYSA-N 298.257 4.870 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1917514473 UYAPPNVLYWWPBO-JSRQGNBESA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@@](N)(c1cccs1)C1CC1 1919514626 LQUOKUNGCOCKEW-HNNXBMFYSA-N 251.439 4.673 30 10 CJEE C=CCCC[C@](C)(O)c1cc(Cl)ccc1Cl 1920019998 FBMKELKERGFLQR-ZDUSSCGKSA-N 259.176 4.557 30 10 CJEE CC(C)(C)c1csc(C[C@]2(C=O)CCCC23CCC3)n1 1921579964 UPLZGZOGCIHPPL-KRWDZBQOSA-N 291.460 4.523 30 10 CJEE CC1(C)C[C@H](C[C@@]2(C=O)CCCC23CCC3)C(C)(C)O1 1921614852 UKWDEJFCHASAPG-RDTXWAMCSA-N 278.436 4.510 30 10 CJEE C=C([C@@](O)(CC)CC1CCCCC1)[Si](C)(C)C 1922988091 OAFRJLBZVOGFIR-OAHLLOKOSA-N 254.490 4.532 30 10 CJEE C=CC[C@@H](NCCC)c1scc(Cl)c1Cl 1932293264 NFCANNONEVZOPS-SECBINFHSA-N 264.221 4.672 30 10 CJEE CCCCCCCCCCC[C@@H]1CSCCN1 1952311273 JMELLMFIIRZMGZ-OAHLLOKOSA-N 257.487 4.612 30 10 CJEE C=CCCCN(C)Cc1csc(-c2ccc(C)cc2)n1 1964612757 BPLPFUKNQKAMRQ-UHFFFAOYSA-N 286.444 4.517 30 10 CJEE Cc1ccc(C#N)cc1OCc1ccccc1C(C)C 1969732828 QSIRSNFEJLJINC-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE N#Cc1ccc(N2CC[C@H]3CCCCC[C@H]3C2)c(Cl)c1 1973619654 CJYDBIPZSHLJDY-CABCVRRESA-N 288.822 4.618 30 10 CJEE C=CC1(C[C@H](N)c2cc(Cl)sc2Cl)CCC1 1980026508 ICJSKBHOXGVGLY-VIFPVBQESA-N 276.232 4.801 30 10 CJEE CC#CCCCC[C@H](N)c1cc(Cl)sc1Cl 1990957407 CVUWKQCCQQJFIO-JTQLQIEISA-N 276.232 4.638 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(C(C)(C)C)s1 2000354483 BDVAYCRXQRQPPP-GFCCVEGCSA-N 251.439 4.662 30 10 CJEE C#CCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2005492651 VDNZULYDIOSGNH-NSHDSACASA-N 290.621 4.840 30 10 CJEE C=CCCCC[C@@H](NC)c1cccc(C)c1Br 2009482484 RQUXUMWRSKJQHV-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CC1(C)C[C@@H]1COCCCCCCCCCS 2021239046 XLNXREUQVBMCSR-CQSZACIVSA-N 258.471 4.710 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C(F)(F)F 2026311034 WLWNZDKYCOZBLH-GFCCVEGCSA-N 251.336 4.573 30 10 CJEE CCCCCCCCCCNC1CC(C(F)F)C1 2029582228 HTZDQSCCNRRHLV-UHFFFAOYSA-N 261.400 4.760 30 10 CJEE CC1(C)C[C@]1(C#N)C[C@@H]1CCCC[C@@H]1C(F)(F)F 2031767260 QLDDEDCDDGUPPW-GVXVVHGQSA-N 259.315 4.685 30 10 CJEE CCCCCCC[C@@](C)(O)c1ncc(C(F)F)s1 2037249346 SQIHQFLSEOKWSR-CYBMUJFWSA-N 277.380 4.649 30 10 CJEE C=CCC[C@@H](NCCC)[C@H]1CCCC(F)(F)CC1 2038282869 QBTKKMWEHKBIHF-UONOGXRCSA-N 259.384 4.536 30 10 CJEE Cc1cc(N=CC2=C(O)C(=Cc3ccccc3)CCC2)n[nH]1 2040465895 ROZHBWHLRICCMA-UHFFFAOYSA-N 293.370 4.500 30 10 CJEE N#C[C@@]1(Cc2cscc2C(F)(F)F)CC=CCC1 2042091594 MWJBWYTYCNXJEC-LBPRGKRZSA-N 271.307 4.559 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)c1cc2cscc2s1 2045996470 BKRQMVWEKODRDY-ZIAGYGMSSA-N 279.430 4.716 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@]1(C#N)CCCC12CC2 2053361200 WWILJRRHLGTTQG-YPMHNXCESA-N 259.315 4.829 30 10 CJEE CCCC1CCC(C=O)([C@H]2CCCC[C@H]2F)CC1 2055152615 DFELAPJZYAGDJM-PWUWZPNHSA-N 254.389 4.690 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCCC[C@@H]1F 2055160793 UEIDXMMMGOHGDS-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=CCCCCC[C@@H]1CCC[C@H](NCCC)[C@H]1C 2055612518 TVWQXZWDSYCZNZ-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H](C(F)F)C(C)(C)C)CC1 2060909800 NFKZAIDKWWNUEC-ZYHUDNBSSA-N 258.352 4.619 30 10 CJEE CCCCCCCC[C@]1(F)CC[C@]12CCCNC2 2066122419 LRFXHQSXZXHDHX-HOTGVXAUSA-N 255.421 4.609 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@@H]2CC[C@@H]2C1 2068722096 HSIQHHGYNZTSBF-OSYLJGHBSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@@H](C)NCCC[C@@H]1CC1(F)F 2075484587 YPVHQHSCXJZPCM-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C(F)(F)F)cs1 2075713052 JUXNNSNVAQXGTR-LLVKDONJSA-N 278.339 4.937 30 10 CJEE CCCC#CC[C@@H](O)c1cc(-c2cccs2)cs1 2083390856 HDKHTXZFUXDDNO-CYBMUJFWSA-N 276.426 4.704 30 10 CJEE CCCCCC#CCNCC(C)(C)CCCCC 2083411633 RXEXGVLQPCVWPA-UHFFFAOYSA-N 251.458 4.766 30 10 CJEE CCCCCC#CC[C@H](C[C@@H](C)CC)NCCC 2083415417 NTYNRNMMHSWQHV-DLBZAZTESA-N 251.458 4.765 30 10 CJEE C=CCCCCCC[C@](C)(N)C[C@@H](C)C(F)(F)F 2085846642 HYEQEJHBCXHSOW-OLZOCXBDSA-N 265.363 4.819 30 10 CJEE C=CCCCCCC[C@]1(O)CC[C@H]2C[C@H]1C2(C)C 2085914950 OCURRCVLLBIRRK-ZOBUZTSGSA-N 250.426 4.700 30 10 CJEE C#CCCN(Cc1ccc(Cl)c(Cl)c1)C1CCCC1 2089382558 PTLKKYREJKREMC-UHFFFAOYSA-N 296.241 4.761 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@@H]1C(F)(F)F 2092582959 PBVDVJWLUMAPTJ-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=C([C@@H](NCCC)c1ccc(F)c(F)c1)C(C)(C)C 2096627987 OPNIAKOYIPVUSK-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE CCCCCCCCC[C@@H](O)c1coc(C(F)F)n1 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CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(F)cc1Cl 2108214061 RMQJUCSNMICTBG-HUUCEWRRSA-N 283.774 4.623 30 10 CJEE CC(C)c1cccc(NCC2(C#N)CCCCC2)c1 2109998968 BVNTUPZSXMTBDQ-UHFFFAOYSA-N 256.393 4.696 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(Cl)c(F)c1 2111309749 LSSFGKVEHJRFJB-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE C=CC1(C[C@H](NC)C(CC)(CC)C(F)(F)F)CCC1 2111710186 CLLGLXLFZMSLLM-LBPRGKRZSA-N 277.374 4.690 30 10 CJEE C#CCCC[C@]1(CNCC(C)C)CCCC(C)(C)C1 2112212973 YYRFRJPGDCQVCZ-SFHVURJKSA-N 263.469 4.622 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2C[C@@H]3[C@@H](C2)C3(F)F)C1 2112232642 VGDPQSPHYHRPIN-NFAWXSAZSA-N 267.363 4.778 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@](C)(O)c2csc(Cl)c2)C1 2112234615 HTZSSFIZKKADCL-HUUCEWRRSA-N 297.851 4.719 30 10 CJEE C=C1CCC(C[C@@H](N)c2cnc(C(C)(C)C)s2)CC1 2114306683 INQBLVLKMVZZSP-CYBMUJFWSA-N 278.465 4.577 30 10 CJEE C#CCCCC[C@@H](N)C1CCC(CCCCC)CC1 2116843627 XQOLGRUFYJOXTG-DAWZGUTISA-N 263.469 4.894 30 10 CJEE CCc1nc(C[C@]2(C#N)CCCCC23CCC3)cs1 2117005336 VQAVPMPTSLHHOH-INIZCTEOSA-N 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CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(C)co2)C1 300269820 BIILZDQGCOWHTP-MGPQQGTHSA-N 292.448 4.820 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H](C)CCC 300517623 IOLPSXRTNCJARY-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnc(C)c(C)c1 311937013 HHYIDUIOAQETQU-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1ccc(Cl)cc1Cl 316700259 BBKFLFSIXXAQFX-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CCCCC1(F)F 381890995 LIARHOORQAVQFH-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C=C(C)CN(CC)c1cccc(Cl)c1[C@@H](C)NCCC 383623486 SISKKBGYPDAGCE-CQSZACIVSA-N 294.870 4.803 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@H](C2CCCCC2)CS1 386085967 FODXPDBSSUBYOB-HIFRSBDPSA-N 296.524 4.843 30 10 CJEE C=CCCCCCCN[C@H]1C[C@@H](OCC)C12CCCCC2 386312030 CZLWCODSTVAJTO-ZWKOTPCHSA-N 293.495 4.840 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(F)cc1Cl 388817645 SDYZRZINTMMGGL-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE CCCCCCCCCN[C@H](C)COCc1ccccc1 390651892 XZSGOCFQVDOZMK-GOSISDBHSA-N 291.479 4.932 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@@H](CC(C)C)C1 394140269 UIIHPRASXURLKY-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CCCc1ccccc1NC[C@@H](C#N)C1CCCCC1 397073223 ABSCDKUWGOCVAX-QGZVFWFLSA-N 270.420 4.771 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(C(C)(C)C)s1 398155998 GKFOOOWRPBMOLP-ZDUSSCGKSA-N 265.466 4.880 30 10 CJEE C[C@H](n1nc(C2CCCC2)c(C#N)c1Cl)C(C)(C)C 400094964 VNRXNWKDTOJFMY-JTQLQIEISA-N 279.815 4.673 30 10 CJEE C=CCCO[C@H]1CCCCCCCCCC[C@@H]1NCC 403415918 PGICCUMPQYBBGV-ROUUACIJSA-N 281.484 4.840 30 10 CJEE CCN[C@H](C)c1ccc(SCC2(C#N)CCCC2)cc1 405174268 QEJLCZOJUZLLTK-CQSZACIVSA-N 288.460 4.533 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1 686681513 RHRHUSFXFZVLQU-KSZLIROESA-N 263.469 4.765 30 10 CJEE C#CCCCCCC(=O)c1cc2c(s1)CCCCC2 686697590 OENOMOIRFUMTJL-UHFFFAOYSA-N 274.429 4.783 30 10 CJEE C#CCCCCC[C@]1(CNC2CC2)CCC[C@@H](CC)C1 686700973 IKCGFZVAOBSOAL-MJGOQNOKSA-N 275.480 4.909 30 10 CJEE N#CC1(CC2(c3ccccc3)CCCC2)CCCC1 686733500 JSMYIIBKDSOIEJ-UHFFFAOYSA-N 253.389 4.972 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCCC[C@H]2C2CC2)c1 696140858 BDCRCZNOSOMVOK-ZFWWWQNUSA-N 274.795 4.592 30 10 CJEE Cc1ccc(C(C)(C)C)c(OC[C@H](CS)C2CC2)c1 701997611 GGPZPMZIIJJXNX-CQSZACIVSA-N 278.461 4.627 30 10 CJEE CCCCCCCn1c(-c2ccccc2)cnc1S 703709158 SJWYXDCSLUITMP-UHFFFAOYSA-N 274.433 4.809 30 10 CJEE C=CCCCCCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 703779774 IZQOXTYMHDCBNS-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCc2ccc(C)cc21 704042502 ZQUDVSXLLFFBTF-QGZVFWFLSA-N 257.421 4.564 30 10 CJEE C[C@H]1C[C@H](N(C)c2cc(Cl)ccc2C#N)CC(C)(C)C1 709181982 FXSYQCXVCQCKJW-WFASDCNBSA-N 290.838 4.863 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)nc(C(C)C)n1 709446286 XCZSVOKCZJLGEJ-UHFFFAOYSA-N 281.831 4.658 30 10 CJEE C=C(COC(C)C)[C@@H](C[C@@H](CC)C(C)(C)C)NCCC 711110229 GQBYBKPKLXMDPK-IAGOWNOFSA-N 283.500 4.798 30 10 CJEE CCCCCCCCCCNC[C@H](C)CC1(C)OCCO1 716033056 IYMHXEUGFDRAHU-QGZVFWFLSA-N 299.499 4.506 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)CO1 718417061 XTGBKGTVCDTKNM-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@]1(O)CCC[C@@H](OC)CC1 718860270 OQGCYGMLZOOCFT-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 724548995 KKJHBYAEYRFVQR-JFIYKMOQSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](CSC(C)(C)C)NCC)CC1 724549433 GIQFXPAUSIUXDY-OAHLLOKOSA-N 269.498 4.633 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 724565397 DOXMQDBJJOCAAQ-KFWWJZLASA-N 290.369 4.853 30 10 CJEE C=CCCCCCCN[C@H](c1cccnc1)C(C)C 806168025 SXABRFQNPGMXNA-KRWDZBQOSA-N 260.425 4.505 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1ccccc1 1124203464 GKZSRXVQEKJARH-HNNXBMFYSA-N 279.383 4.894 30 10 CJEE C=CC[C@@H](C(=O)N(C)C1CCC(CC)CC1)c1ccccc1 1124856136 FHNOHNUOPCIRRL-NKELODKYSA-N 299.458 4.774 30 10 CJEE C=CC(C)(C)CNC(=O)C1(C2CCCCC2)CCCCC1 1128868628 UXZFSPAPDXTKMU-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)Cc1ccccc1 1131105243 FODKOINIDHJISW-GUDVDZBRSA-N 299.458 4.506 30 10 CJEE C=CC(C)(C)CCCNc1ncc(C#N)c2ccsc12 1187525964 XZUJAFREYXEAFQ-UHFFFAOYSA-N 285.416 4.572 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)c2ccc(C)cc2)c1 1210292773 SPEKEKAFYOAERB-OAHLLOKOSA-N 294.398 4.911 30 10 CJEE C=CCCC(C)(C)CNC(=O)NC(CC(C)C)CC(C)C 1221806546 INBFYYWCSJDNBP-UHFFFAOYSA-N 296.499 4.739 30 10 CJEE C=C(C)[C@@H](NC(=O)CCCC(C)C)c1ccc(F)c(F)c1 1269600465 REGKMOQURPDHIA-QGZVFWFLSA-N 295.373 4.525 30 10 CJEE CC1(C)CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 1308440339 BNPLHADWZQTQIH-LPHOPBHVSA-N 296.458 4.742 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)[C@H]1CCc2ccccc21 1353035908 OGPYIQRPJKCWOG-KRWDZBQOSA-N 285.431 4.515 30 10 CJEE C=CCCCC(=O)NC1(c2ccc(Cl)cc2)CCCC1 1434981778 LOBIXVOYOHCARS-UHFFFAOYSA-N 291.822 4.582 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1Cl 1460053279 HDWHLWGTWAPNIJ-UHFFFAOYSA-N 285.818 4.918 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(C)c(C)c2)c1 1461305831 AXLSZAUEDMPBSY-UHFFFAOYSA-N 281.399 4.870 30 10 CJEE C=CCC(C)(C)CN[C@H](C)CCc1cncc2ccccc12 1462280684 ROJMVBQHMRPXCF-MRXNPFEDSA-N 296.458 4.748 30 10 CJEE C=C[C@@H](C)Nc1ncnc2scc(-c3ccc(C)cc3)c12 1472729374 KZQJZCAAKUZAIF-GFCCVEGCSA-N 295.411 4.653 30 10 CJEE C=CC[C@@H]1N(C[C@H]2CCCC3(CCC3)O2)CCCC1(C)C 1473431490 FIPBXPWWCNLFFF-SJORKVTESA-N 291.479 4.545 30 10 CJEE C=CCCCCN1CCC(Cc2c(F)cccc2F)CC1 1473544210 PEWALVXGVRPHST-UHFFFAOYSA-N 293.401 4.576 30 10 CJEE C=CCCCCCN1CCCCC[C@H]1C(F)(F)F 1473793724 HPVWXYFOBYEIMT-ZDUSSCGKSA-N 263.347 4.540 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cccc2ccsc12 1476315403 MKDKAIHTHGYHJA-LBPRGKRZSA-N 288.416 4.768 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2c(F)cccc2s1 1520511362 MYVYYSNEDATDNQ-NSHDSACASA-N 291.391 4.515 30 10 CJEE C=C(C)CN(CC)C(=O)C/C=C/c1ccc(C(C)C)cc1 1525654288 UMZLIAVVGOGWIA-BQYQJAHWSA-N 285.431 4.638 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 1528632144 OYNWWXYSQKOTCP-CVEARBPZSA-N 298.407 4.639 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CCCC[C@H](C)CC 1539320946 UNPWGXSKUGJNPL-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=CCCC[C@H](NCC1CC(F)(F)C1)c1ccccc1 1560108987 QTOKXNKQWAGXCX-INIZCTEOSA-N 279.374 4.719 30 10 CJEE C#C[C@H](N[C@H](C)C[C@H](C)CC(C)C)c1ccc(F)cc1 1560853375 XCGBPRIKCPDJQK-RKVPGOIHSA-N 275.411 4.550 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1cc(F)ccc1Cl 1562324746 CGJKVTOGZYEHSS-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(C)c(C#N)c1 1584162244 YDWHAXIBGLMXNG-UHFFFAOYSA-N 298.430 4.513 30 10 CJEE C=C(C)CCC(=O)OCc1ccc(Cl)c2ccccc12 1586048541 UUGIAIPUORJNLX-UHFFFAOYSA-N 288.774 4.893 30 10 CJEE Fc1ccc(C#Cc2cccc(Cl)c2Cl)cc1F 1614826520 YHHCRHJNURECEM-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CC[C@H]1N(Cc2sccc2Cl)CCCC1(C)C 1617604744 VNXRICQKMRUSKX-CQSZACIVSA-N 283.868 4.968 30 10 CJEE C=CCC1(NC(=O)C[C@H](c2ccccc2)C(C)C)CCCC1 1617816764 XQWCXPRTAWSTMK-SFHVURJKSA-N 299.458 4.821 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)c1ccccc1 1625197560 WATZHPSUTPYBIG-QRVBRYPASA-N 299.458 4.882 30 10 CJEE C=C(C)CCNc1nc(Cl)c(C(F)(F)F)cc1Cl 1642710267 YCZUWYPDIXIRRT-UHFFFAOYSA-N 299.123 4.785 30 10 CJEE C=CC1CCN(CCCOc2cccc3ccccc23)CC1 1644618534 ZITPWJGNZUYZRU-UHFFFAOYSA-N 295.426 4.507 30 10 CJEE C=C(C)CCN1CCCCC[C@@H]1c1cccc(C)c1 1644669950 YSBDFVRLPAGWLY-GOSISDBHSA-N 257.421 4.878 30 10 CJEE C=C(C)[C@H](NC[C@H]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 1645345561 XADPCGXGGPGCFG-DEYYWGMASA-N 293.401 4.998 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccccc1OCc1ccccc1 1654019017 BOZZDTGSPCMVMI-KRWDZBQOSA-N 295.426 4.882 30 10 CJEE C#CCCCCCCNc1cccc(C2CCOCC2)c1 1660428878 HWCLSTKRFOCEBB-UHFFFAOYSA-N 285.431 4.576 30 10 CJEE C=C1CCC(CN[C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 1660674796 STYVXHJRKMHVTG-VNQPRFMTSA-N 275.461 4.576 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](CC)Cc1ccc(F)cc1 1665222823 GOMMVQWQWDZRFH-ZWKOTPCHSA-N 277.427 4.871 30 10 CJEE C=CCCC1(CNC(=O)N[C@H](C)CC(C)(C)C)CCCC1 1682691637 BQTAIIKVMZKTPR-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCCCCC1 1686661777 MQAXRPBHNMOUKT-UHFFFAOYSA-N 294.483 4.879 30 10 CJEE CC#CCCC[C@H](NCCC)c1cccc(F)c1Cl 1879644317 NTHKVDYBMOMGBQ-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc(SCC)cc1 1879651103 PYXPWTKGDMLBRM-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(C(F)F)n1 1880784690 RKFNIRQHZHGILN-CQSZACIVSA-N 271.351 4.803 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1CC(C(C)C)C1 1881773968 IQVHHYYMWJSNHR-UHFFFAOYSA-N 271.448 4.747 30 10 CJEE C=CCCN(Cc1ccccc1)CC1C[C@H]2CC[C@@H]2C1 1882922400 WFDZTGJCMQJNBY-RTBURBONSA-N 269.432 4.501 30 10 CJEE C=C(CN(C)[C@@H]1CCCC(C)(C)C1)c1ccccc1 1883361252 XRFIHSATINVAMV-QGZVFWFLSA-N 257.421 4.600 30 10 CJEE C=C1CCC(CN2CC[C@H](C)c3ccccc32)CC1 1884408104 ULWITGPXMUXHKY-HNNXBMFYSA-N 255.405 4.747 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CC[C@H](C)O1 1885327062 HOBKENKRELHTKW-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=C1CCC(C[C@](O)(CC)c2ccc(F)cc2)CC1 1886403167 LXVBIBUPVLCYOT-QGZVFWFLSA-N 262.368 4.560 30 10 CJEE C=C(C(=O)C1(CC(C)C)CCCC1)c1ccccc1 1888689114 NDSLVAJHDMWRTR-UHFFFAOYSA-N 256.389 4.875 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(Cl)c(Cl)c1 1903216486 IIRIJYSKJXMFQV-GFCCVEGCSA-N 259.176 4.629 30 10 CJEE CCC1(CC)CNC(=NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)SC1 1912109832 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30 10 CJEE C=C1C[C@H]1[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341884973 MRYDXTHAGXZOCU-CVEARBPZSA-N 298.257 4.870 30 10 CJEE CC(C)C1CCC(C=O)([C@@H](CC2CC2)C2CC2)CC1 2343959417 XIYBMMJNWBUZFX-NXYGQSRBSA-N 262.437 4.844 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1CCCC(F)(F)C1 2344371942 OFJQWUXBHIFWHU-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(C(C)C)cc1 2344422477 YOCUSQJVVOZITN-GOSISDBHSA-N 258.405 4.914 30 10 CJEE CC1(C)CC(CS)(CO[C@@H]2CCC3(CCCC3)C2)C1 2344976714 HKIIJVGMXYYFLE-CQSZACIVSA-N 282.493 4.852 30 10 CJEE CSc1cc(NC(C)(C)C2CCCC2)ccc1C#N 2353831496 KRNJQLZIPIJMGX-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12 2358137237 HUOMOYFYWQHXSU-XWSJACJDSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358322484 QYGSVLKHEVXOCS-WCVJEAGWSA-N 285.422 4.912 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@]12C[C@H](CO1)C2(C)C 2359848137 UVSIVLJLWKHGHC-NUJGCVRESA-N 281.484 4.530 30 10 CJEE CCCN[C@](C)(C#N)C[C@@H](C)SC[C@H]1CC[C@H](C)CC1 2360506569 MOYVYLIPHSCOBX-VQHPVUNQSA-N 296.524 4.606 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2c(F)ccc(C)c2Cl)cc1 2360545231 GSFYISLINWMNOK-AWEZNQCLSA-N 288.753 4.773 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973274 CIHXGGZSHWQVFC-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C[C@@H]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 37334122 KTBAZRUOXFJDKB-MFKMUULPSA-N 283.293 4.535 30 10 CJEE CC(C)c1ccccc1OCC1(C#N)CCCCC1 57545266 LLCOWHAEJOCMNB-UHFFFAOYSA-N 257.377 4.663 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(=O)O)ccc1C 59462090 PXWAATWQQUUVIX-AWEZNQCLSA-N 277.408 4.854 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(C#N)cc2Cl)c(C)o1 62791138 KXJCMVMZLPCIKX-SNVBAGLBSA-N 274.751 4.595 30 10 CJEE CCCC[C@@H](CC)Nc1cc(Cl)ccc1C#N 69372435 VQZNXJNDAQBHPB-CYBMUJFWSA-N 250.773 4.592 30 10 CJEE N#CC1(c2c(F)cccc2Cl)CC2(CCCC2)C1 86523203 FECKSABBQXFASH-UHFFFAOYSA-N 263.743 4.595 30 10 CJEE C[C@H](CS)COc1c(Cl)cc(Cl)cc1Cl 87077865 KJNKNFGGHGOBDM-LURJTMIESA-N 285.623 4.592 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H](C)c2ccccc2)CC1 91884770 MWIYDNQLMPBOCU-MEWCUZTCSA-N 285.431 4.651 30 10 CJEE CC(C)C[C@@H](C)OCC1(CS)CCCCCC1 94583787 GLDDWNFIHPKHBO-CQSZACIVSA-N 258.471 4.708 30 10 CJEE FC(F)(F)c1ccn(CCCCCCCCCS)n1 97799985 AKJQRMJUFFUVHS-UHFFFAOYSA-N 294.386 4.562 30 10 CJEE CCCCCCC[C@@H](N)[C@@H]1CCCc2ccccc21 104153966 WVWNMDXHNWLWES-QZTJIDSGSA-N 259.437 4.794 30 10 CJEE C=C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OCC 107656269 DGFOSXJBTJATKS-SECBINFHSA-N 259.176 4.757 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@@H]1NCC 110081431 NDSYHOCKWGGVOJ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCOCCN[C@H]1CCC[C@@H](C)C1 110239645 LSJIEEOLFJGMIZ-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 110325795 HGXPQYPXGPDEFT-CABCVRRESA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C)c1ccccn1 117693445 RHQWRPRAQWWVGI-DOTOQJQBSA-N 263.425 4.687 30 10 CJEE CCCCCCC[C@@H](CNCC)c1cccc(F)c1 118658862 IUADNGJDFBVOMJ-INIZCTEOSA-N 265.416 4.879 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(F)ccc1F 126850186 HWUFMZKRARCHTH-OAHLLOKOSA-N 269.379 4.585 30 10 CJEE CCCCCCCCn1ccc2c([N+](=O)[O-])cccc21 129695582 XAUHZLKQBKEELI-UHFFFAOYSA-N 274.364 4.910 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(Cl)nc1 135168469 RSQAIYCCFSDSRM-ZDUSSCGKSA-N 255.789 4.519 30 10 CJEE CCCCCCCCCC(=O)c1snnc1CCC 135407939 HEECGQHWXSVPRF-UHFFFAOYSA-N 282.453 4.814 30 10 CJEE CCSc1cccc(Oc2cc(C)ccc2F)c1C#N 136720388 NLVCDBJVQFIWDW-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H]2CC[C@@H]1O2 162014291 WBBIFLLRVSCDEJ-KSZLIROESA-N 281.484 4.817 30 10 CJEE Cc1cccc(Cl)c1NCc1ccc(C#N)cc1Cl 162759579 WLYFWKNXYKGWKP-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=C(C)CN[C@H](c1ccccc1)c1ccc(C)cc1C 163648464 IKSUXOWYJJRZTA-LJQANCHMSA-N 265.400 4.559 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 164004949 UHOJEZVCFINLFY-JTQLQIEISA-N 284.325 4.814 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1 227861793 XEFMDGBBNLASLZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCCCN[C@H]1c2ccccc2OC[C@@H]1C 228177015 GSHSJOLXGOSGGG-MAUKXSAKSA-N 275.436 4.706 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 230989209 GEIBSKTUJCYYBI-TZMCWYRMSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(F)c(Cl)c1 231089628 OHWLYKWJJFVJQY-ZDUSSCGKSA-N 271.807 4.709 30 10 CJEE CCCCCCCCCOc1cc(C)cc(O)c1 232396536 UJYLBNKPYNMGBF-UHFFFAOYSA-N 250.382 4.830 30 10 CJEE N#Cc1ccnc(Nc2ccc3sccc3c2)c1Cl 236052374 DRLMUSJVLASPLJ-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc2ncsc2c1 236066890 FPQTXXRCBSWYKD-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CC(CCc1ccc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1)=NO 252472139 MXHGXTLZFHHOGL-HBUWYVDXSA-N 289.419 4.673 30 10 CJEE N#C[C@@]1(Cc2ccc(C(F)(F)F)cc2)C[C@H]2CC[C@H]1C2 252813114 HYJBPEKFXCLSDI-AEGPPILISA-N 279.305 4.578 30 10 CJEE Cc1cc(C)cc(N=C2SCCN2Cc2ccccc2)c1 254313377 SYRWEYPPHKAQDI-UHFFFAOYSA-N 296.439 4.540 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 299979889 FLRAGRWEDYZPHH-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE Cc1cc(Sc2ccc(C(C)(C)C)cc2)cc(C#N)n1 308282866 QVNIISARQLGZDT-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(F)ccc1Cl 311096763 PANRZTQWIFFJRK-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C#Cc1cccc(N[C@H](C)c2c(F)cccc2Cl)c1 311732341 QMUSJPNXLMUWLX-LLVKDONJSA-N 273.738 4.634 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 312108860 LJGLYZGBUJBFRD-SOLBZPMBSA-N 263.469 4.927 30 10 CJEE O=CC1(C[C@H]2CCCC2(F)F)CCCCCCC1 317781224 XLIRSJPGKKLBDN-CYBMUJFWSA-N 258.352 4.742 30 10 CJEE CC1CCC(C#N)(c2ccc(C(F)(F)F)cc2F)CC1 380364930 JTQYPMJZRZFWOS-UHFFFAOYSA-N 285.284 4.816 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@H](OCC)C1(C)C 381025617 CRUVOYJXBHUZIM-PMPSAXMXSA-N 269.473 4.516 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(C)cc1F 383501071 BBRFGWJOBZPNAT-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE N#CC[C@H]1CCC[C@H](c2ccc(Cl)cc2Cl)O1 384071639 ZYDPUHYZEUNPNJ-ZWNOBZJWSA-N 270.159 4.517 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CCC[C@@H]21 385931058 BTQIHDGOQJZXCC-HOTGVXAUSA-N 269.498 4.521 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCCC12CCCC2 392836214 JQJHSTSKXJXTCR-INIZCTEOSA-N 274.795 4.759 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2ccc(Cl)c(C)c21 393786849 OPFIIUCYCJFGTP-SNVBAGLBSA-N 280.824 4.814 30 10 CJEE N#CCc1ccc(Cl)c2sc(C(F)F)cc12 396190624 NQBOZPLFVLKKMT-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@@H](CSc1ccccc1Cl)C1CCCC1 397346277 NPVAPIVJLIRMNM-LBPRGKRZSA-N 265.809 4.762 30 10 CJEE N#CCCC1CCN(Cc2c(Cl)cccc2Cl)CC1 399436914 COOLVUCIKAAXDP-UHFFFAOYSA-N 297.229 4.509 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1c(Cl)cccc1Cl 400802796 FHHWLMCRFNZSMG-NXEZZACHSA-N 258.192 4.609 30 10 CJEE C[C@@H](CCS)CCSc1nccc2ccccc12 401504697 JJHWBMBORQMCGS-LBPRGKRZSA-N 277.458 4.673 30 10 CJEE C=C[C@@](C)(CNCCC)C[C@H](CC)CC(F)(F)F 402560637 JTKGXPYDGBIZIB-QWHCGFSZSA-N 265.363 4.547 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCc2c(F)cccc2F)C1 403046259 ZNLNDQWFZUZJSA-LRDDRELGSA-N 263.331 4.617 30 10 CJEE CCCCCCC[C@H](C)NC1C[C@@H]2CC[C@H](C1)S2 403711731 WCSXJWADSYAHFT-HNSVSWJLSA-N 269.498 4.752 30 10 CJEE C[C@H]1CCN(CCCCC(C)(C)C#N)[C@H](c2ccco2)C1 444647350 DOCMRISZALMGDZ-HOTGVXAUSA-N 288.435 4.773 30 10 CJEE C=C(C)CCSCc1ncc(-c2ccccc2C)o1 552031728 VCMREYWJFQZAMX-UHFFFAOYSA-N 273.401 4.849 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc2ccccc12 686700177 MWJAYNFYODYECJ-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CSc1cccc(CNc2ccc(Cl)c(C#N)c2)c1 686951815 UQMZHERNELZJHA-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCC1(CC)CCCN(C[C@@H](CS)c2ccccc2)C1 690466361 KAKLSFLGMNOPQO-KRWDZBQOSA-N 291.504 4.602 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1csc(C(C)(C)C)n1 692239709 NCXQEZWTZNZRTG-DZGCQCFKSA-N 292.492 4.665 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)c1ccsc1 692274318 ZXAAPHWVHYFHBT-BMFZPTHFSA-N 263.450 4.924 30 10 CJEE CC[C@@H]1N/C(=N/[C@H](C)CC2CCCCC2)S[C@H]1CC 694633505 GFROWNYYLXYVSA-SNPRPXQTSA-N 282.497 4.595 30 10 CJEE CCN[C@H](C)c1cccc(S[C@H](C)CC(C)(C)C#N)c1 695780445 UKNKJNKKBDXSQT-ZIAGYGMSSA-N 290.476 4.778 30 10 CJEE CCCCCCC[C@@H](CC1(CSC)CC1)NCC 696065262 WBCKWFVHNGKFJK-HNNXBMFYSA-N 271.514 4.858 30 10 CJEE CCC(C)(C)CCNc1ccc(C#N)c(Br)c1 696805024 DTYRHZXUANPJNZ-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCC1CCC(C=O)(C[C@H](CC)CC(F)F)CC1 701530812 IWAWZZAQGHXNQF-JVWICGRDSA-N 260.368 4.843 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(CC)s1 701908681 REMHZPLTMXMQMJ-GFCCVEGCSA-N 251.439 4.563 30 10 CJEE CCCCCCCC[C@](C)(N)c1c(F)cccc1OC 704466019 PEUXQWDFMLKCJV-KRWDZBQOSA-N 281.415 4.759 30 10 CJEE CCCC1CCC(C=O)([C@H]2CCCC[C@H]2C)CC1 704934213 YPTGWGUEGAGDMS-GYXIZQIFSA-N 250.426 4.988 30 10 CJEE C[C@@H]1C[C@H](N(C)C[C@@H](CS)C(C)(C)C)CC(C)(C)C1 708585994 YBZHWOZVQJUFNF-ILXRZTDVSA-N 285.541 4.725 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CC(C)(C)CC[C@@H]1C 713084550 UEQDPXKROCLZMR-ZBEGNZNMSA-N 274.383 4.633 30 10 CJEE Cc1cc(C)cc([C@H](C#N)C2C[C@@H](C)C[C@H](C)C2)c1 719378037 SBIFKHBVZMXLOP-MPGHIAIKSA-N 255.405 4.983 30 10 CJEE C=C1CCC(CNc2ccc(Br)cc2)CC1 724549099 BFLPZOGQWOSXTF-UHFFFAOYSA-N 280.209 4.607 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(-c2ccncc2)c(C)c1 1129338949 NOGOSCLVCOOZOE-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1oc2ccccc2c1C 1130905370 YFUAWWWDHWHHQF-GOEBONIOSA-N 297.398 4.606 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc2c(c1)[C@@H](O)CCCC2 1182795829 LQEFJWUBTYZLAZ-QAPCUYQASA-N 273.420 4.603 30 10 CJEE C=CCCCCCN1CCCc2cc(Cl)ccc21 1193736060 XZJUUXPRJQZBTB-UHFFFAOYSA-N 263.812 4.839 30 10 CJEE C=CCCCCCCNC(=O)N(C)[C@@H](C)C1CCCCC1 1248566476 RJQRMCLZFCALLF-INIZCTEOSA-N 294.483 4.733 30 10 CJEE Cc1c(Cl)cnc(N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1C#N 1307140082 FLJYOUSONMALBE-KGYLQXTDSA-N 291.826 4.542 30 10 CJEE C#CCCCCCCSc1ccc(C#N)c(C)c1 1307361636 NAVQEZYSCWAVTF-UHFFFAOYSA-N 257.402 4.543 30 10 CJEE C=CCCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 1307709542 RCXUVCBEUZQUPI-UHFFFAOYSA-N 291.385 4.800 30 10 CJEE C#Cc1ccc(N[C@H](CC)C[C@H](C)CC)c(Cl)c1 1308959915 CRDLEHLIMHBLBZ-TZMCWYRMSA-N 263.812 4.948 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CC3CCC2CC3)c1 1311297472 BDYJTRCBKPBHDQ-DQPZFDDXSA-N 298.430 4.668 30 10 CJEE C=CC[C@H](C(=O)Oc1cccc(C)c1C)c1ccccc1 1351729277 RENYTBIAKPVYOH-KRWDZBQOSA-N 280.367 4.569 30 10 CJEE C=CCCN[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 1459858857 NOHCEMMFKFUIFG-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE C=C(C)c1cccc(NC(=O)CCSCCCC)c1 1463259490 VOHALXPLNMLZHX-UHFFFAOYSA-N 277.433 4.582 30 10 CJEE C=C(C)c1cccc(NCc2cn(C)nc2C2CCCC2)c1 1474290921 GQROFHDSAGGHIL-UHFFFAOYSA-N 295.430 4.723 30 10 CJEE C=C1CCC(C(=O)N2CC[C@H](C)c3cccc(C)c32)CC1 1526966929 QAVHFCSBIKLKHY-AWEZNQCLSA-N 283.415 4.582 30 10 CJEE C=CCCCCCCCCNC(=O)C1(F)CCCCC1 1527378208 OXVQHBDFTJCQKM-UHFFFAOYSA-N 283.431 4.692 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(C(F)F)cc1)c1ccccc1 1528623963 QJHLWVXFARDJEM-OAHLLOKOSA-N 288.293 4.708 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC[C@@H](C)C1)c1ccccc1 1537559214 CETIECDWPJNGNS-MJGOQNOKSA-N 299.458 4.775 30 10 CJEE C=CCCCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 1559743948 XQCGDDFURXBRIN-OAHLLOKOSA-N 297.364 4.851 30 10 CJEE C=CCCCCCN1CCc2ccccc2C1(C)C 1559933502 WSYCFNGWVBTGHI-UHFFFAOYSA-N 257.421 4.526 30 10 CJEE C=C[C@@H](CC(=O)O[C@@H](C)c1ccccc1)c1ccccc1 1584326551 WOPPENXUBWMKRO-HOTGVXAUSA-N 280.367 4.651 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C/c1cccc(Cl)c1 1588036346 XAJYYVDSIXVMCA-ACCUITESSA-N 291.822 4.604 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(OC(C)C)c(C#N)c1 1621243883 WLJHMWRLLJSHCF-INIZCTEOSA-N 286.419 4.892 30 10 CJEE C=CCC[C@H](CC)NCCCc1ccc(C)cc1C 1621477936 GWXGGZMKCDVEHW-SFHVURJKSA-N 259.437 4.570 30 10 CJEE C=CCC1(NCc2cc(Cl)ccc2F)CCCCC1 1648033051 RCBDQMZVRMGTTA-UHFFFAOYSA-N 281.802 4.848 30 10 CJEE C#Cc1ccc(NCc2c(CC)oc3ccccc23)cc1 1651656209 WHPHMJDZRNBHKV-UHFFFAOYSA-N 275.351 4.589 30 10 CJEE Cc1ccc2ncc(C#N)c(OC[C@@H]3CCCC[C@@H]3C)c2c1 1652855539 DYNAWFDJNBVRPH-GJZGRUSLSA-N 294.398 4.620 30 10 CJEE C=CCN(Cc1cccc(C)c1F)CC1CCCCC1 1657513506 JLCBWHCUOFFZAH-UHFFFAOYSA-N 275.411 4.702 30 10 CJEE C#CCCCCCCNc1cnc2c(F)c(F)ccc2c1 1659964278 WEPDEEUVFPOJJC-UHFFFAOYSA-N 288.341 4.509 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(CC(C)C)nc1 1662857988 XCQULILOBYFZDJ-MJGOQNOKSA-N 286.463 4.505 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H](c2ccccc2)C1 1664582354 LCPHPGDGTYCSKP-UXHICEINSA-N 283.459 4.886 30 10 CJEE C=CCC1(CN[C@@H](C)[C@H](C)CCCC)CCCC1 1664713105 PFRGBHGBCCVEBB-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@H](C)NC[C@H](c1ccccc1)C1CC1 1664842639 HZGXBDDFZWZUIO-QFBILLFUSA-N 271.448 4.905 30 10 CJEE CCCCCCCCN=c1ccc(-c2ccc(C)cc2)n[nH]1 1859788407 IUSSJFFKWDUYDM-UHFFFAOYSA-N 297.446 4.646 30 10 CJEE C=C(C)CSc1nc(-c2ccccc2OCC)cs1 1860809744 JJQVGVYVFKWLLG-UHFFFAOYSA-N 291.441 4.877 30 10 CJEE CCC(C)(C)[C@@](C)(O)[C@@]1(C#N)CCCC(C)(C)CC1 1878584221 MYPJJZDAAUVMSU-SJORKVTESA-N 265.441 4.674 30 10 CJEE CC#CCCC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 1879650261 JESBYSADDVIQQP-CYBMUJFWSA-N 289.728 4.552 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CCC(F)CC1 1883428613 OKURSFXKELTDMJ-UHFFFAOYSA-N 275.411 4.593 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C[C@H]1C(F)(F)F 1883429628 YQZAMNSGKJVCLU-ZIAGYGMSSA-N 279.390 4.867 30 10 CJEE CC#CCCCC[C@H]1CC(C)(C)CC[C@@H]1CNCC 1885236257 JQUMCOIVQBMKAO-DLBZAZTESA-N 263.469 4.622 30 10 CJEE C=C1CCC(C[C@](C)(O)[C@@H]2C[C@H]3[C@@H](C2)C3(C)C)CC1 1886402676 KHVYPJAHPBGRFN-DFGXFYAUSA-N 262.437 4.556 30 10 CJEE 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4.616 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC2(F)CCCCC2)C1 2047234357 YUKYBKCUNPEPHK-LSDHHAIUSA-N 254.389 4.834 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@]1(C)CCCC1(F)F 2048989697 DABKIZYPXNXFOK-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE C=CC1(C[C@@H](CS[C@@H](C)CC)NCCC)CCC1 2049034107 YFXIMVKECBFSNQ-GJZGRUSLSA-N 269.498 4.633 30 10 CJEE C=CC1(C[C@H](NCCC)c2ncc(Cl)s2)CCC1 2049041279 UFGAVCGHRJNFQB-NSHDSACASA-N 284.856 4.584 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CCCCC12CC2 2053417283 ALWJLWOYOJXDHD-MRXNPFEDSA-N 252.398 4.772 30 10 CJEE C=CC1CC(Nc2ccc(Cl)c(C(F)(F)F)c2)C1 2061896067 MIPYZNQAKOEMAL-UHFFFAOYSA-N 275.701 4.735 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]2C(F)(F)F)CCCCCCC1 2065560712 MUIOACBXDDAFAY-RYUDHWBXSA-N 259.315 4.829 30 10 CJEE CC[C@@](C)(CCC=C(C)C)OC(=O)CC[C@H](C)S 2067099468 BTQOCEGJWLQSRI-ZFWWWQNUSA-N 272.454 4.543 30 10 CJEE CCCCCCCCCCCCNC[C@H]1C[C@H]1F 2068040380 IPQCVJULOGWRKK-HZPDHXFCSA-N 257.437 4.855 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H](C)C(C)(C)C 2075359105 BPEJKCCTQMKAIF-CVEARBPZSA-N 251.458 4.621 30 10 CJEE C[C@](N)(CC#CC1CCCCC1)c1csc(Cl)c1 2075830190 RROFRQWSAIQUJG-HNNXBMFYSA-N 281.852 4.549 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H]1CCCC(C)(C)C1 2082975496 JIAQJROXZJVDFH-WBVHZDCISA-N 251.458 4.785 30 10 CJEE CCCCC#CCC[C@@H](NC)c1ccccc1Cl 2083431287 RFYGOHRRCKABII-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE O=C(C=C1CCC1)c1ccc(-c2ccccc2)s1 2085240374 VBBFIIGKVYAJAI-UHFFFAOYSA-N 254.354 4.708 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](C)C1CC1 2086261807 OVFSECVSRTVTKO-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCC[C@]1(O)CCCC12CC2 2086281913 BOQUPXYOFBEMFO-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cccc(N)c1 2088269352 YUWCHGGDXZTTBM-QGZVFWFLSA-N 263.425 4.617 30 10 CJEE CCC[C@@H](C(=O)[C@@H](C#N)c1ccccc1Cl)C(C)C 2088620923 ZCPIMXUETJXFLR-OCCSQVGLSA-N 277.795 4.589 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)CCCCC 2092183328 UFBBXISSYGLMHI-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)[C@@H]1CCCO1 2093271914 AICIEEQGJGRIRC-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCC[C@]1(C)CSC(=NC(C)(C)C2CCCCC2)N1 2094159935 CUXNRGAGMJOEAX-MRXNPFEDSA-N 282.497 4.597 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1OCCCC1(C)C 2098521704 FNXWDJQEOQGDKO-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CCC[C@@]2(C1)CC2(F)F 2099909859 ZLMBTYMTIABGKP-SOUVJXGZSA-N 274.395 4.923 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CC3CCC2CC3)C1 2103340335 STYNVKGZKYUWFH-OFLPRAFFSA-N 261.453 4.539 30 10 CJEE C=C1CCC(C[C@@H]2CCCC(F)(F)[C@H]2NCC)CC1 2103845509 DOJZJOVCDIJWCF-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1ccc(Cl)c(C)c1 2108004180 NVQPKGJJWAFKCN-INIZCTEOSA-N 293.914 4.570 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cc3ccccc3s2)C1 2108714189 SFZPUHVVDQDHAP-CXAGYDPISA-N 272.413 4.839 30 10 CJEE CCCCCCCCC[C@]1(N)CCOCC[C@@H]1CC 2109056598 XWPNQHCPXIPOQL-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE N#CC1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCC1 2109790027 PEFLTHVPKJUEHZ-MCIONIFRSA-N 267.363 4.922 30 10 CJEE C#CC(C)(C)COc1ccc(CC)cc1C(C)(C)C 2111303349 ATGTXKLJGFMXJN-UHFFFAOYSA-N 258.405 4.585 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@@H]1CCC[C@H](CC)CC1 2111314461 SESCLHRPYOCBDW-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2C[C@H]3CC[C@H]2C3)CCC1 2111723977 ZUYYUGCRCIBWHH-MWDXBVQZSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCC(=O)c1c(Cl)ncn1C 2111911410 ZTKFPVRIKKDQHF-UHFFFAOYSA-N 284.831 4.787 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2[C@@H]3CCCCC[C@@H]23)C1 2112207820 HFCVSLFXEPNHGE-RKVPGOIHSA-N 262.437 4.988 30 10 CJEE C[C@@H]([C@@H]1CCCC(C)(C)C1)N(C)CC#CC(C)(C)C 2112225179 XYRGMXLLYLTRDS-JKSUJKDBSA-N 263.469 4.573 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC[C@H]2COC(C)(C)C2)C1 2112231859 PCUKCZSQRKKTAW-RHSMWYFYSA-N 263.425 4.692 30 10 CJEE C=C([C@H](NCCC)c1cnc(CCC)s1)C(C)(C)C 2114346447 UCCRWQKCCXIJGK-HNNXBMFYSA-N 280.481 4.739 30 10 CJEE Cc1nc(C[C@@]2(C#N)CCCCC23CCC3)sc1C 2116993165 DLTRGELYGJNHHA-MRXNPFEDSA-N 274.433 4.557 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)C[C@]1(C)C(F)F 2120959418 ADPLQDUROKFEDG-HZPDHXFCSA-N 273.411 4.760 30 10 CJEE C=CC1(NCC[C@@H](C)c2ccccc2)CCCCC1 2121654176 QJYMSKKSQHJNNV-MRXNPFEDSA-N 257.421 4.659 30 10 CJEE C=CCCCC[C@@H](NCC)C(C)(C)c1ccccc1 2123086495 SZPVACGEJFXDOW-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE C=C1CC([C@H](NCCC)c2csc3ccccc23)C1 2125662186 RGGAZHHEOHONIJ-KRWDZBQOSA-N 271.429 4.908 30 10 CJEE C=C1CC(C[C@H](NCCC)c2ccc(C)c(C)c2)C1 2125728995 NRNPKXJMPCHUMA-SFHVURJKSA-N 257.421 4.700 30 10 CJEE C=C1CC(C[C@]2(CNCC)CCCC(C)(C)CC2)C1 2125743568 FKUBWSWHQISFBG-SFHVURJKSA-N 263.469 4.929 30 10 CJEE C=CC[C@@](C)(Nc1ccc(Cl)cc1C#N)C(F)(F)F 2125762889 CZWJDDDWJQFFOF-GFCCVEGCSA-N 288.700 4.521 30 10 CJEE N#C[C@@]1(CC2(F)CC3(CCC3)C2)CCCCC12CC2 2127933556 KEWVDWWJYHILGL-INIZCTEOSA-N 261.384 4.913 30 10 CJEE C=CCCCCCC(=O)c1cccc(C(C)(F)F)n1 2129360366 VIHIXQNOTWKMAX-UHFFFAOYSA-N 267.319 4.513 30 10 CJEE CCCC[C@@H](CCC)Nc1cc(CC)ccc1C#N 2132318307 SIPGIDPJORBGSI-MRXNPFEDSA-N 258.409 4.891 30 10 CJEE N#C[C@@]1(C[C@H]2CC23CC(F)(F)C3)CCCC12CCC2 2132940057 RLTLDBZCMMQZMK-DOMZBBRYSA-N 265.347 4.676 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CC3(CCCCC3)O2)C1 2133050955 MIENDLDRHWMYOM-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2134372763 KEZONSUUBIRXOB-ONTMVUMWSA-N 264.453 4.780 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1C[C@H]1c1ccccc1 2135329572 YVQONSUOEVZECQ-RCCFBDPRSA-N 259.437 4.868 30 10 CJEE CCC(CC)(CS)COC[C@H]1C[C@H]1c1ccccc1 2135924601 WEHPALVSJHVZAW-CVEARBPZSA-N 278.461 4.543 30 10 CJEE CC1(C)CC(C[C@@]2(C#N)CCCOC2)CC(C)(C)C1 2138433449 KDZNQEJQGCVTAN-QGZVFWFLSA-N 263.425 4.549 30 10 CJEE CCCC#CC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 2138981598 OBUCGLQMBZKOKM-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@H](NC)c1cc(-c2cccs2)cs1 2138983016 BPCMMJXTQBNXFC-AWEZNQCLSA-N 289.469 4.931 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC1CC(CC)C1 2140883340 NMHBSAYXHAEHGC-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H](CC)CCOC 2141920490 VZBXTFPCJABNGL-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C=CCCCCCC[C@H](N)CCc1cccc(C)c1 2141922855 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CCCCCCCCCC[C@@H](NN)c1c(C)coc1C 2153065553 XKJYLYIQMUALLM-MRXNPFEDSA-N 280.456 4.932 30 10 CJEE O[C@H](CC#CC1CCCCC1)[C@@H]1CCCC(F)(F)CC1 2155809099 ZYXHXIHVHUCWLV-HZPDHXFCSA-N 284.390 4.537 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)C1CCC(C)CC1 2158429678 PNZGPGURBPFTMW-QRJNDHJOSA-N 274.383 4.633 30 10 CJEE C=C(C)C[C@@H](N)c1ccc(-c2nc3ccccc3s2)o1 2164008375 HLVLXKDQNKSSEV-LLVKDONJSA-N 284.384 4.522 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C1(O)CC2(CCCCCC2)C1 2164752251 KIQBLQLCBTUTNS-WBVHZDCISA-N 275.436 4.572 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H]2CCCCC2(C)C)C1 2164961670 ORRBOSASFXWASU-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE C[C@H](CC(C)(C)C#N)NC[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166187832 UIZATKMDWDXGAX-NCOADZHNSA-N 276.468 4.511 30 10 CJEE C=CC1(CN[C@H](C)c2ccc(C(C)(C)C)cc2)CCC1 2168008148 SZNHBRNUKJQGEA-OAHLLOKOSA-N 271.448 4.991 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 2168028255 KUBTZQIDDMOEKC-MJBXVCDLSA-N 289.385 4.690 30 10 CJEE 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CCCCCCCCCCCCN[C@]12CO[C@](C)(C1)C2 2202613317 CRTAGJOZFSDIIZ-IYARVYRRSA-N 281.484 4.818 30 10 CJEE Cc1cc(C)c(C)c(COc2cc(Cl)ccc2C#N)c1 2203117191 FKYFZWUKDVHGCH-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CC1(C)CC(C[C@@]2(C#N)CCOC2(C)C)CC(C)(C)C1 2203206280 VPGFSTHVMFWFJA-GOSISDBHSA-N 277.452 4.938 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)C[C@H](CC)CCC1=O 2203284531 VBLRGFZCRXVCIZ-PBHICJAKSA-N 282.424 4.587 30 10 CJEE CCCCCC#CC[C@H](N)c1ccccc1C(F)(F)F 2203785927 BXNCCFNDQJVDGT-HNNXBMFYSA-N 283.337 4.679 30 10 CJEE C#C[C@@H](NC1CCC(C(C)(C)CC)CC1)C1CCCC1 2204033035 SQUCDNLCECXNLA-DAWZGUTISA-N 275.480 4.763 30 10 CJEE C=CCCCCCCN1CCC(CC)(CC)CCC1=O 2206899646 ZEQJVDYLFGUAQA-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@](C)(CC)N(C)C 2207429327 HYPSRVFJPWRBHM-ROUUACIJSA-N 282.516 4.741 30 10 CJEE CC[C@](C=O)(CC1C[C@H]2CCC[C@H](C1)C2)C(C)C 2218375237 OUPKNZXHMKXFBS-YQQAZPJKSA-N 250.426 4.844 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(C#N)cc1Cl 2223223423 CXTUJPDQMNMMFZ-CYBMUJFWSA-N 263.768 4.725 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NC 2224496168 SIOGXHHCZRBDHD-BFHYXJOUSA-N 279.390 4.914 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@@]2(C#N)CCCC(C)(C)CC2)O1 2226853398 HMUYJLRKWMJNCP-HLLBOEOZSA-N 263.425 4.834 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1(P(C)(C)=O)CC1 2227281325 GGXUKWOQTFUYRQ-OAHLLOKOSA-N 285.412 4.646 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 2227288921 RGICJNXJTZFKHP-MUJYYYPQSA-N 266.425 4.676 30 10 CJEE CCCCCCCN[C@H]1CCC12CCC(F)(F)CC2 2229691145 QDFAZSQHKHAASU-AWEZNQCLSA-N 273.411 4.905 30 10 CJEE CCCC#CC[S@](=N)(=O)CCCCCCCC1CC1 2230902700 RSXABOCLCKTDCJ-IBGZPJMESA-N 283.481 4.587 30 10 CJEE CCCCCCCCCOC[C@H](NCC)[C@@H](C)CC 2230976495 GHZVQMRQODFTRN-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCOc1nc(Cl)nc(C)c1C 2230985786 YYWSWPNCUCQQCQ-UHFFFAOYSA-N 284.831 4.876 30 10 CJEE CCCCCCCCCO[C@H](C)[C@H](C)CNC(C)C 2230991870 HBVMFHKNCSZNTD-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE Cc1c(Cl)cccc1C(=O)C#Cc1cccc(Cl)c1 2231025886 PCJFPZLXXXUKGN-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCCCCCCCCCO[C@H]1C[C@@H](O)C1(C)C 2231079694 OAKQQWPTUAYDOP-CVEARBPZSA-N 270.457 4.693 30 10 CJEE C=C[C@@H](CCCCC)OCCN[C@@H](C)CCCCC 2231101936 BCBYZKABNNUZGO-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1c(F)cccc1Cl 2231535190 FGRMCOPHXIDEOB-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H]1CCC[C@@H](OC)C1 2231909318 LDGMAIWAJPXPHQ-BBWFWOEESA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)C1CCOCC1 2231930733 XNGDHZKRSPPWFS-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(Cl)cc(C)c2N)CC1 2232197726 IXWHEAIUFOKUCE-NSHDSACASA-N 277.795 4.550 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cccc2ccoc12 2232392766 FYUJQIGDUPYYNT-BBRMVZONSA-N 257.377 4.686 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233543419 MTVKQMUEVIAGQK-HZMVEIRTSA-N 297.552 4.727 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NC 2235512143 APEUNSDGYUZJCE-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCOC(C)(C)C1 2235524202 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4.577 30 10 CJEE C=CCCCC[C@H](NCC)c1c(C)cc(OC)cc1C 2286482040 LTHBYFLBHOZCQK-KRWDZBQOSA-N 275.436 4.709 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ncoc1C(C)C 2287467056 KTTSJNQWDQGNLW-OAHLLOKOSA-N 278.440 4.975 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCCCOC)C1 2287553125 XJKMKZZJYDISAI-ARFHVFGLSA-N 297.508 4.891 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@@H]2CC3)CCc2ccccc2C1 2289131460 HBXHIDYGOCOOTE-QRVBRYPASA-N 265.400 4.656 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CC[C@H](C)CC1 2289691587 DPQYTYYNDPVSIN-WDSOQIARSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@](CC)(OCC(=O)O)C1CCCC1 2290924120 RJLPSZXXHWYEJU-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=C(CC)C[C@H](OCCC(=O)O)c1sc(C)c(C)c1C 2291156597 UZWXUUJJIGKJBY-AWEZNQCLSA-N 296.432 4.562 30 10 CJEE C=CCCCCC[C@@]1(OCC(=O)O)CCC[C@H](CC)C1 2291443906 ZZBFDQMIBFBWRP-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@@]1(OCC(=O)O)CCC[C@H](CC)CC1 2291464390 ZDGHDJDCESXSAO-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)[C@@H](C)CC(C)C 2291640917 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279.427 4.761 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(F)ccc1C(F)(F)F 164140005 LHOHFBQVSVGBIE-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCO[C@H]1C1CC1 166256184 VMLPETITGXWCSG-ROUUACIJSA-N 281.484 4.532 30 10 CJEE COc1c(/C=N/c2ccccc2)sc2ccccc12 205402514 QSBRZWSOVFXCII-GZTJUZNOSA-N 267.353 4.661 30 10 CJEE C=C(CC)CC[C@H](CNCC(C)C)c1ccccc1 211958739 HZHQLFGTMMRALR-GOSISDBHSA-N 259.437 4.762 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 218323002 AOEAYAHAMPBSEG-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2csc3ccccc23)C1 218408096 YLHJXLRSKPJJJK-OAUYIBNBSA-N 285.412 4.655 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N 228887304 PIMLSHWAUAQRMM-SGMGOOAPSA-N 274.433 4.517 30 10 CJEE CC[C@H](C)c1ccc(OC[C@H](CS)C(C)C)cc1 232360728 WYQUKKYZWCPNKB-DZGCQCFKSA-N 266.450 4.781 30 10 CJEE C=CCCCCCC1(C(=O)O)CCC(C)(C)CC1 232830357 CRUMPLQEIHDXCC-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE CCCCCCCCCCNC[C@H](CC(C)C)N(C)C 232948336 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CCCN[C@](C)(C#N)C[C@H](C)SC[C@H]1CC[C@H](C)CC1 2360506567 MOYVYLIPHSCOBX-QAETUUGQSA-N 296.524 4.606 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c3cccnc23)cc1 19867906 UYVSIZKASMFNEY-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE Cc1cc(C)c(CNc2ccc(C#N)c(Cl)c2)c(C)c1 37393364 LHGFPGBFQMQQLI-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE N#Cc1c(Cl)cccc1SCc1ccccc1 48935568 JDPBRBDDGDOEPG-UHFFFAOYSA-N 259.761 4.504 30 10 CJEE CCCCC1CCC(C(=O)[C@@H](C#N)c2cccs2)CC1 52902592 RZHLXKORLGXVPO-NRXISQOPSA-N 289.444 4.921 30 10 CJEE c1ccc2cc(/N=C3/NC4(CCCCC4)CS3)ccc2c1 53098256 WIKXFNOEMLYJAA-UHFFFAOYSA-N 296.439 4.867 30 10 CJEE CCCCOc1ccc(-c2cc(CC#N)c(CC)o2)cc1 77077233 SOPBIWYTXRGIQO-UHFFFAOYSA-N 283.371 4.754 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 88191177 UMVUFDBDKYGKEE-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE N#CCC1(COc2cc(Cl)c(Cl)cc2Cl)CC1 88272080 AXZUZRHJUGFMNH-UHFFFAOYSA-N 290.577 4.719 30 10 CJEE CCOc1ccccc1OCC[C@@]1(C#N)CCC[C@H](C)C1 88415836 KWDUHWAUCIIWRP-YJBOKZPZSA-N 287.403 4.574 30 10 CJEE CC(C)CN(c1ccc(C#N)c(Cl)c1)C1CCCC1 94848240 RJOFLOFLIGUAQV-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1[C@H](C)CCC#N 107656101 GBOFHWHFKFAUDD-SECBINFHSA-N 272.175 4.799 30 10 CJEE COc1c([C@@H](C)CCC#N)cc(C)cc1C(C)(C)C 107671714 IVLXDSMRCYBJTM-ZDUSSCGKSA-N 259.393 4.708 30 10 CJEE CCCCCCCCCCCCC(=O)CCOC 109709545 YSTLOLVBIXWQLN-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CC#CC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 109723327 ZRJSSZAVMGKUPO-GOSISDBHSA-N 285.475 4.535 30 10 CJEE CCCCCCCCO[C@@H]1Cc2ccccc2[C@H]1NCC 110083798 RMUWESRJXYUMRT-RTBURBONSA-N 289.463 4.639 30 10 CJEE CC(C)(C)c1cc(C(C)(C)C)c2oc(C#N)cc2c1 110162279 YNLZGFGWUKJVCO-UHFFFAOYSA-N 255.361 4.899 30 10 CJEE CCCCCCC[C@@](C)(Nc1ccccc1)C(=O)OCC 110318754 OVDKXUAHPCBPJS-GOSISDBHSA-N 291.435 4.781 30 10 CJEE Cc1cccc(Sc2cccc(Cl)c2C#N)c1 110354295 PCAXFTRRXGTAED-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C[C@H]1CCC[C@@H](SCc2cc(C#N)ccc2F)C1 110354831 DBTBPERFJJNAOC-SMDDNHRTSA-N 263.381 4.509 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ccncn1 113898841 YSVVTOAXVFXIHW-KRWDZBQOSA-N 278.440 4.821 30 10 CJEE CCCCCCCCCN1CCCNC2(CCCCC2)C1 114077088 LYUXGIQHOKPKRY-UHFFFAOYSA-N 294.527 4.735 30 10 CJEE CCCCCCCCCCCCN1CCCNC(C)(C)C1 114077361 ORYCXYWUWAOZMV-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE CCCCCCCc1nc2cc(C#N)ccc2n1C1CC1 115581039 KRVIAHNFGNQSOL-UHFFFAOYSA-N 281.403 4.756 30 10 CJEE CCCCCCC[C@H](O)CSC1CCCCC1 115647409 VGICNQBWCDVXHQ-AWEZNQCLSA-N 258.471 4.774 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(CCOC)cc1 115855901 VZEDJBUAXWZFEZ-GOSISDBHSA-N 277.452 4.626 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)N1CCCCC1 118145155 ZYUIMUQAHROPDV-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCCCn1ccc([C@H](CC)NC)c1 118242559 UDNVZBLKYNVSOL-KRWDZBQOSA-N 264.457 4.909 30 10 CJEE CCCCCCC[C@@H](Cc1ccc2ccccc2c1)NN 122299562 AYVKTFWRHPXDGS-IBGZPJMESA-N 284.447 4.575 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1C 122404652 YMUJXKBCFIOPQZ-NTZNESFSSA-N 297.320 4.781 30 10 CJEE CCCCCCCNc1cc(C#N)ccc1Cl 125644045 SIUQXNZUQYSAOT-UHFFFAOYSA-N 250.773 4.594 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCC[C@H](CC)C1 126786555 MUHMJDKIGGUJMG-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](CCC)OC 126840117 JNLJKJDVZXOLQN-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1C[C@@H]1C 126894347 AXWKMFLQUSCIDR-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@H](O)c1cc2c(s1)CCC2 168205183 BEVLLAFLVMLRHX-CYBMUJFWSA-N 252.423 4.631 30 10 CJEE CCCCCCCCCCCC(=O)NCCCCCCN 196122434 OCQBSGRSYKOGCE-UHFFFAOYSA-N 298.515 4.543 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 214509311 LXGZGFLAVKPREG-GDBMZVCRSA-N 276.811 4.838 30 10 CJEE C#CCC[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 227527754 LOXBDFXGFXYMHC-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](C)NCCSC(F)(F)F 231938267 ORRKOUCOUQMPSN-NSHDSACASA-N 271.392 4.578 30 10 CJEE CCCC1CCC(NCCCCC(C)(C)C#N)CC1 232895506 LSQYQIOIXITMPH-UHFFFAOYSA-N 264.457 4.655 30 10 CJEE CCSc1cccc(NCC(C)(C)CC)c1C#N 233872616 KLAMOMPMXGMQSQ-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE CC[C@H](Nc1cccc(C)c1C#N)c1ccc(F)cc1 234057625 SUDVWFCLIDMCRM-INIZCTEOSA-N 268.335 4.569 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Br)cs1 236549429 QRGSAGXAXZDFOY-LLVKDONJSA-N 289.238 4.681 30 10 CJEE CC(C)c1ccc(C[C@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 252820041 NVMQJDCRVVWMSF-RYQLBKOJSA-N 253.389 4.682 30 10 CJEE Cc1cccc2c1CC[C@@H](C#N)[C@H]2C1CCCCC1 260652813 QLXUCAMRHXBABA-MAUKXSAKSA-N 253.389 4.745 30 10 CJEE CC[C@](C)(C#N)c1c(Cl)cc(Cl)cc1Cl 308921913 PENIKDXPBZSYRE-LLVKDONJSA-N 262.567 4.838 30 10 CJEE Cc1cccc(Nc2cccc(Cl)c2C#N)c1Cl 310666697 DMSMLEQGWUDBSP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CC(C)CC[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 312246392 BLXVCIVOECXKJI-IIIMJFFVSA-N 279.468 4.920 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1cc(Cl)ccc1Cl 317103103 CEBDRSORKCFZTH-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C=CCC(C)(C)CNc1ccc(C#N)c2ccccc12 380477679 SUQCPGPDXRYBCR-UHFFFAOYSA-N 264.372 4.726 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCCOCc1ccccc1 384887911 SPBUYFCIZLQMSU-WMZOPIPTSA-N 271.404 4.703 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@](C)(CNC(C)C)O1 388452772 AUMWMWXSXXJOIR-DLBZAZTESA-N 269.473 4.673 30 10 CJEE C=CCCCCNCc1cccc(OCc2ccccc2)c1 394492414 RTLOJGOOUSQRSX-UHFFFAOYSA-N 295.426 4.712 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](C#N)Nc2ccc(Cl)cc2)C1 394578071 TUCUCTBIAFGPIW-XJKCOSOUSA-N 276.811 4.860 30 10 CJEE N#C[C@@H](CNc1cc(F)cc(Cl)c1)C1CCCCC1 397160869 VFGMFRBFYKIPJP-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE CC(C)C1CCC(C#N)(CCC[C@@H]2CCOC2)CC1 401017959 VQIJZTWAXIQBJS-KLAILNCOSA-N 263.425 4.549 30 10 CJEE CCC[C@@H](CS)CSc1nccc2ccccc12 401497995 FKQPVSOXIRFYST-LBPRGKRZSA-N 277.458 4.673 30 10 CJEE CCC1CCC(C=O)(C[C@@H](C)CC(F)(F)F)CC1 402508892 GWVJPROGBUCMAF-PNESKVBLSA-N 264.331 4.751 30 10 CJEE N#CCc1ccc(-c2ccc(Cl)c(Cl)c2Cl)nc1 514263538 DLUHNJYNLKUBPS-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#Cc1ccc(Oc2cccc(-c3ccccc3)c2)nc1 606302207 IJTNDCCXBVLFFY-UHFFFAOYSA-N 271.319 4.522 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CC[C@@H](CC)C1 686701332 QVBKNNQIWATIIQ-SJLPKXTDSA-N 261.453 4.519 30 10 CJEE CC(C)C1([C@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 687554782 MQZMDEYMZAVNMA-CQSZACIVSA-N 277.452 4.530 30 10 CJEE CC1(C)CC(c2nc(CCS)cs2)CC(C)(C)C1 688344843 HFFJEEWXOKTDRK-UHFFFAOYSA-N 283.506 4.935 30 10 CJEE C=C(C)CCC1(C(=O)O)CC(C)(C)CC(C)(C)C1 688345915 ORAUAJKAJXZZPA-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE C=CCC1(Nc2nccc3ccsc23)CCCC1 690782439 QJNSEVDUVWOBDJ-UHFFFAOYSA-N 258.390 4.597 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1C#N 691050985 BMTUSMLZGPTQIL-SWLSCSKDSA-N 276.811 4.982 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1O[C@@H](C)CCC#N 695844424 WLOCDNXIVRPPKG-LBPRGKRZSA-N 265.784 4.843 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@H](CC)C3)C[C@@H](C1)C2 697298557 XZRKLVWLBUAICT-ATICWTEVSA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(NCCC(C)(C)C3CC3)C[C@@H](C1)C2 697303733 DZHLZGFGXQVUEV-FKEKPDDDSA-N 261.453 4.537 30 10 CJEE CCSc1cccc(OC[C@@H]2C[C@@H]2C(C)(C)C)c1C#N 703613718 SIEAWBDYICGUPE-JSGCOSHPSA-N 289.444 4.731 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)[C@H](C)C(C)C 706682806 ZJCCFUDEFDWRET-QZTJIDSGSA-N 284.532 4.821 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(C(C)(C)C)cc1 710644399 YGXLPOOVGXXCSY-HNNXBMFYSA-N 265.828 4.777 30 10 CJEE C=C(Cl)CC1(CNC(C)(C)C)CCCCCC1 710664092 OUDPKNGQWMFGHQ-UHFFFAOYSA-N 257.849 4.858 30 10 CJEE CCCCCCCC[C@H](NCC)c1c(F)cncc1F 710808279 FAWQEHLMHAHKBA-HNNXBMFYSA-N 284.394 4.761 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCC2)CS1)c1cccs1 713191360 HROUUZLPPKJURB-LBPRGKRZSA-N 294.489 4.595 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 715706695 TTXBHFPOFHLPCZ-SWLSCSKDSA-N 285.353 4.958 30 10 CJEE C=CC[C@H](C)[C@H](NC)C1CC(C)(C)CC(C)(C)C1 715707315 WSPDMSJXCMPWAI-ZFWWWQNUSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(C(F)(F)F)c1 715718167 FSVCQNLBWZCLFD-RISCZKNCSA-N 271.326 4.568 30 10 CJEE C=CC[C@@H](C)C1(CNCCC)CCCCCCC1 715812074 FFKVVCXKACCWPF-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE CC[C@](O)(CC1CCCCC1)C1(C#N)CCCCCC1 720399991 PJGLUXHSBUIRLO-SFHVURJKSA-N 277.452 4.962 30 10 CJEE C[C@H]1CC[C@@H](OCCCCCCCCCS)C1 721557218 MAZNHZAEOJZDQV-LSDHHAIUSA-N 258.471 4.852 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CCCC(F)(F)C2)CC1 724595588 SYAYDEMWVKSNHC-CABCVRRESA-N 271.395 4.536 30 10 CJEE CSc1c(CC#N)ccc2sc(C(F)(F)F)cc12 725316226 MGZDQTFQVMHDIN-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CC(=NNc1ccc(C)cn1)c1ccc(SC(C)C)cc1 728429497 HLYWBXJDRJRXQD-UHFFFAOYSA-N 299.443 4.727 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1cncnc1C)c1ccccc1 883326734 JUYMTUFMRBTATE-QFBILLFUSA-N 295.430 4.533 30 10 CJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1cccc(C#N)c1C 1126997233 KPFSJFUDXQZYOQ-SDNWHVSQSA-N 296.414 4.578 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1Oc1ccc(C)cc1 1136111190 MVRCKNVHJQERQP-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=CCCCCCCNCc1c(F)cccc1CC 1178688873 OCPMYUOLGOMYHO-UHFFFAOYSA-N 263.400 4.614 30 10 CJEE C=CCCCN[C@H](CC(C)C)c1cc(Cl)ccc1OC 1192689560 ITMQZIKBSGDOKU-MRXNPFEDSA-N 295.854 4.992 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 1226023974 OJALJJCXJBDHIU-GVDBMIGSSA-N 294.483 4.637 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C(C)(F)F)c2)CCCC1 1269359136 ZGNGFGKGCMNLDN-UHFFFAOYSA-N 293.357 4.873 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H](C)CCSCC)CCCCC1 1435279413 FSWMPXUBDUXXAE-HNNXBMFYSA-N 297.508 4.503 30 10 CJEE C=CCCC(C)(C)CNC(=O)C(C)(C)CCCCC 1438258403 KRHQZJMGPTXWLJ-UHFFFAOYSA-N 267.457 4.702 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 1458275962 YBBKUEZKDLFGGZ-BQFCYCMXSA-N 287.447 4.677 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(-c2ccccc2)c1 1459867237 SLAIWPIJFXGCCO-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccccc1C(C)C 1462602610 UMCGTJBGZJRPKW-UHFFFAOYSA-N 273.420 4.532 30 10 CJEE C=CCn1ncc2ccc(N[C@H](C)CCC3CCCC3)cc21 1474729317 CALDPPSJXJOQIO-OAHLLOKOSA-N 297.446 4.993 30 10 CJEE CCCCCCCCCCCC(=O)N1CCC[C@H]1C 1523542479 SDPXPLOQLSDUKE-MRXNPFEDSA-N 267.457 4.918 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCC[C@H]1CC 1525235382 CSBIPOASLSHYNU-QWFCFKBJSA-N 299.458 4.506 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)CCCC1 1529478961 FAGGIJCWZQESSH-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE C=CCCC(C)(C)CNC(=O)CC[C@H]1CCc2ccccc21 1534588048 HOQMOFILRCASHE-QGZVFWFLSA-N 299.458 4.605 30 10 CJEE C=CCCC(C)(C)CNC(=O)CC/C=C\c1ccccc1 1543938110 RZVARWJRVLSJBV-LCYFTJDESA-N 285.431 4.589 30 10 CJEE C=C(CC)CN(Cc1cccs1)c1ccc(OC)cc1 1559599920 XDQOOOHVDGICEG-UHFFFAOYSA-N 287.428 4.730 30 10 CJEE C=CCCCN1CCC([C@@H](F)c2ccccc2F)CC1 1559826137 DUCVTXCESPLHSI-QGZVFWFLSA-N 279.374 4.515 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](CC)c1ccc(F)cc1F 1583886450 DWFBBTQRHRRHBF-AWEZNQCLSA-N 282.330 4.561 30 10 CJEE Clc1ccccc1N=C1CCN(Cc2ccccc2)CC1 1615946381 KOGRTIKMFICFFP-UHFFFAOYSA-N 298.817 4.709 30 10 CJEE C=CCCCN(CC)C(=O)/C=C(/C)c1cccc(Cl)c1 1616680866 UCFAOIMDKGTXNP-OWBHPGMISA-N 291.822 4.558 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1sccc1C(F)F 1617466177 MCDOSUMENYALAW-CMPLNLGQSA-N 299.386 4.550 30 10 CJEE C=CC[C@H](C)N(C)Cc1ccccc1OCc1ccccc1 1620492910 DYWUYUARNFCAGN-KRWDZBQOSA-N 295.426 4.662 30 10 CJEE C=CC[C@@H]1N(Cc2cncc3ccccc23)CCCC1(C)C 1621291222 ORNBAHMCONAZPP-IBGZPJMESA-N 294.442 4.802 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc(C)c2C)c1 1627391590 QJUYUNPQDKBOEI-UHFFFAOYSA-N 265.356 4.589 30 10 CJEE C=CCCCCCCCNc1nc(C#N)c(Cl)s1 1639993811 AOHUIGOEJMSFQA-UHFFFAOYSA-N 283.828 4.607 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1642750791 JWNLDNXULWKFGC-GOEBONIOSA-N 297.364 4.897 30 10 CJEE C=CC(C)(C)Nc1nc(-c2ccccc2)c2ccccc2n1 1643291790 TYTFRGGTJVGRQW-UHFFFAOYSA-N 289.382 4.673 30 10 CJEE CCCCCCCCN(CCC)CC(F)(F)F 1652501690 MFTLCYXMZUTOAE-UHFFFAOYSA-N 253.352 4.621 30 10 CJEE C=CCCCCCCNC(=O)Nc1c(C)cccc1CC 1658163835 BGJMPLXSWUYDBD-UHFFFAOYSA-N 288.435 4.815 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CCC(C)C)c1ccc(F)c(F)c1 1659491140 SOBBSUVYRMDBGZ-GUYCJALGSA-N 281.390 4.996 30 10 CJEE C=CCCc1ccccc1N[C@@H]1C[C@@H]2CCCC[C@@H]21 1664435532 OQADOORZLGCSOL-XYJFISCASA-N 255.405 4.796 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CCC(CCC(C)C)CC1 1670944035 GSFYLJSYKZFTAW-INIZCTEOSA-N 294.483 4.589 30 10 CJEE CCCCCCCCCCNC(=O)CCC1CCC1 1866205960 MGDGPANFTLJKTF-UHFFFAOYSA-N 267.457 4.824 30 10 CJEE C=C(CN1CCC[C@@](C)(CC)CC1)c1ccccc1 1883337117 HVVHFMJDTIDABX-GOSISDBHSA-N 257.421 4.602 30 10 CJEE C=C(C)CN(Cc1ccc(C(C)(C)C)cc1)C1CC1 1883896554 CKGTUZLLYYDEQW-UHFFFAOYSA-N 257.421 4.525 30 10 CJEE C=C(CC)Cc1c(Cl)ccc(Br)c1F 1885153897 AIGKUNVAPPLFPM-UHFFFAOYSA-N 277.564 4.750 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@H]1CCC12CCC2 1885245133 QSCURGYWDGCDNQ-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCCCCN(C)c1ccc([C@H](N)CC)cc1 1887126889 VBNMNAUDAAISTG-QGZVFWFLSA-N 262.441 4.503 30 10 CJEE C#CC[C@H](C[C@H](CCCC(C)C)NCCC)C1CC1 1887474988 KBBWMVATXUPWNM-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCSc1cccc(N[C@]2(C)CCC2(C)C)c1C#N 1889155178 HWTVSRQONKXLKR-MRXNPFEDSA-N 274.433 4.661 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC2(C1)CC21CC1 1889187121 BUVURKBOYKGQOC-UHFFFAOYSA-N 281.443 4.645 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@H]2C=C[C@H]1CC2 1892510966 PYJNXYJJTOWEGK-YSIASYRMSA-N 281.443 4.667 30 10 CJEE C=CCCC[C@H](N)c1c(Cl)cc(C)cc1Cl 1905166617 WTJJPZHBQNIDKC-LBPRGKRZSA-N 258.192 4.658 30 10 CJEE Cc1ccc([C@@H](C)N=C2N[C@@H](CC(C)(C)C)CS2)cc1 1912094640 BFUYLEBDZUCSML-HIFRSBDPSA-N 290.476 4.553 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cccc(Cl)c2C)C1 1913193299 WFHGBHTZOGWTFZ-XJKSGUPXSA-N 261.796 4.911 30 10 CJEE CCCCCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCC 1916061303 CHRWZXVHBFORDY-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@H]1CCC2(CCCCC2)C1 1916124663 ZXMQADIZEQHMDQ-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)[C@H]1CCC2(CCCC2)C1 1916483642 UGRKCRYOXPAUQR-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cncn1CC 1918730556 NMLWFJCQHRBKTJ-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCC=CO1 1919516168 UHUXYQKCPJKHPB-HOTGVXAUSA-N 254.414 4.571 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc([Si](C)(C)C)c1 1919902255 FZLUCAYGICPWTA-GOSISDBHSA-N 292.539 4.800 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(C)o1 1920014406 DKSVEHFQONGXPS-INIZCTEOSA-N 252.398 4.936 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2OCCCC2(C)C)CC1 1923826361 LOGZIMPGXKDKOS-UPTPFMHGSA-N 280.452 4.613 30 10 CJEE CCCCCCC[C@H]1N[C@H](CC2CCCCC2)CO1 1926663497 PPFYNTNJNPXINK-SJORKVTESA-N 267.457 4.632 30 10 CJEE CC(C)[C@@H](C#N)N(Cc1ccccc1)CC1CCCCC1 1931887122 LIAOMFLJRAFONM-LJQANCHMSA-N 284.447 4.617 30 10 CJEE CCC=CC[C@H]1O[C@@H]1CC=CCCCCCCCC(=O)O 1933314823 BKKGUKSHPCTUGE-IAGOWNOFSA-N 294.435 4.872 30 10 CJEE C=C(COCc1ccccc1)C(=O)C(CC)(CC)CC 1954758366 AFMWOVFRKYRJBJ-UHFFFAOYSA-N 274.404 4.545 30 10 CJEE CCCCCCCCCN(C)C1CCSCC1 1963222209 DMCMBFSNUMZZME-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@@](C)(CC)O1 1964608928 AXSTWMSBLKEIEG-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CC1(C)CCC[C@H](CNc2ccc(Cl)c(C#N)c2)C1 1968474305 XRFHFHZXILOCHJ-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE C[C@H](CSC(C)(C)C)Nc1ccc(C(C)(C)C#N)cc1 1970317644 DJTCOKVNNKQMCX-CYBMUJFWSA-N 290.476 4.820 30 10 CJEE CC(C)(C#N)CCCN(CCC(F)(F)F)C1CCCC1 1971174859 GTACGHQBADNYLM-UHFFFAOYSA-N 290.373 4.513 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(Br)c(C)c1 1975934594 FBYACBBCVGWDMY-JTQLQIEISA-N 281.193 4.543 30 10 CJEE SC[C@H](CSCC1CCCCC1)CC1CC1 1980502140 FITYFIPPUSVWTA-CQSZACIVSA-N 258.496 4.646 30 10 CJEE CCCCCC#CCNc1ccc(Br)c(C)c1 2024350009 SFCKTZZDMTXQMK-UHFFFAOYSA-N 294.236 4.753 30 10 CJEE CCCCCCC[C@@H](CC1(C)CCCCC1)NN 2027290318 VRMPJBUNPXETHO-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE C=C(Cl)C[C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2030160668 DLEUZMKQBUMCGZ-LLVKDONJSA-N 298.135 4.762 30 10 CJEE CCCC1CCC(C=O)(C2C(C)(C)C2(C)C)CC1 2034039673 MIUVNDNPQAJTSE-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCC[C@H](F)C1 2034885806 KGHLIEWKFDLSTP-JYJNAYRXSA-N 257.437 4.983 30 10 CJEE C=CCCCCCN[C@H]1CCCCCCC1(F)F 2035247711 MFKOSDGTRQXVLA-AWEZNQCLSA-N 259.384 4.681 30 10 CJEE CCC(F)(F)CC[C@@]1(C=O)CCCC(C)(C)CC1 2039381390 PYAUOSJNSHLQAA-CQSZACIVSA-N 260.368 4.988 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1CCCC[C@@H]1C 2040521298 GDHKBIZQEFOAAF-QAETUUGQSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12C[C@H](C)[C@H]1C2 2042986714 QRZDHNAGSCGKJT-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1csc(C(C)(C)C)n1 2045778369 CJVCMGKRXHMVPS-NSHDSACASA-N 286.872 4.624 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(C)c(Cl)s1 2046773290 ZDIMEDNCROFQRK-GFCCVEGCSA-N 283.868 4.800 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(C(F)F)o1 2048251805 FIFZRHRSUJWISQ-UHFFFAOYSA-N 254.276 4.681 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1[C@H]2CCCC[C@H]21 2048362395 FIXZEWOPJZTVSD-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CCCCC(=O)C[C@H]1CC12CCC(F)(F)CC2 2052915679 CGALEMFDJVREGL-LBPRGKRZSA-N 256.336 4.518 30 10 CJEE C=CCCCCC1(CNC(C)C)CCC(C)CC1 2059118207 KFEKLZTWWPTHFO-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=C1CC(CNc2ccc(SC(F)(F)F)cc2)C1 2061719222 WOMIOHOPVRTKRR-UHFFFAOYSA-N 273.323 4.677 30 10 CJEE C=CCCCC[C@H](N)c1ccc(C(C)(F)F)cc1 2065181947 WMEHDCRGVKRNDI-AWEZNQCLSA-N 253.336 4.545 30 10 CJEE N#C[C@]1(C[C@H]2CCCC2(F)F)CCCC(F)(F)C1 2065224281 CANSYJUKGGLPTR-MNOVXSKESA-N 263.278 4.531 30 10 CJEE C=CCCCCCCNCC1(C(C)(F)F)CCC1 2071239582 CEQIOIYGZYCGDY-UHFFFAOYSA-N 259.384 4.538 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CC[C@H](C)SC1 2074945716 RPHRQRBSGHDHCU-JKSUJKDBSA-N 271.514 4.953 30 10 CJEE CC#CCCCC[C@@](C)(O)c1cccc(Cl)c1Cl 2075366574 CYFRRLPAJQTJGO-OAHLLOKOSA-N 285.214 4.785 30 10 CJEE O=C[C@@]1(CCCCC(F)(F)F)CCCC(F)(F)C1 2081761789 YHUMDORSYSTVLD-JTQLQIEISA-N 272.257 4.504 30 10 CJEE N#C[C@]1(CCCCC(F)(F)F)CCCC12CCC2 2081933936 DGUOWZOKVPLJEH-ZDUSSCGKSA-N 259.315 4.973 30 10 CJEE CCCCC#CC[C@@H](O)c1cc2ccccc2s1 2083403046 IRZKUBYXYOYMNR-CQSZACIVSA-N 258.386 4.518 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cc(C)cs1 2083408930 VCUSMQSCIRHCCK-OAHLLOKOSA-N 263.450 4.681 30 10 CJEE CCCCCCCCCCNC[C@@H](F)C1CCC1 2083782595 GVSKQXHTKPBWKS-MRXNPFEDSA-N 257.437 4.855 30 10 CJEE C#CCCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1 2085430855 XPUAKZUATIWNSB-GFCCVEGCSA-N 284.230 4.838 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@]1(C)C[C@@H]1F 2085849278 JQBSNTAHYXFGMN-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCC[C@H](C)[C@@H]1C 2085853864 IFQFZJKGSMBZGQ-YESZJQIVSA-N 251.458 4.879 30 10 CJEE C=CCCCCCCCCNC[C@H]1CCCCS1 2086278922 NUJJMKNSTBIJAA-MRXNPFEDSA-N 269.498 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C 2088123257 OAQVZGVHZFMGDZ-UIGZQWRCSA-N 263.469 4.782 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](O)c1ccc(C)s1 2092197831 DTAXXCRKHRBKNY-ZBFHGGJFSA-N 283.481 4.558 30 10 CJEE O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1=CCCCC1 2092677758 KLTQOKIVKSWAPN-DGCLKSJQSA-N 274.326 4.815 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1ncc[nH]1 2093570087 CAWISFWZFMDUJD-OAHLLOKOSA-N 265.445 4.591 30 10 CJEE CCCCCCCCCCCCO[C@H](C)C1CNC1 2095961389 PLGFAJWIQQMINO-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CCCCCCCNCCCCCOC(C)(C)C 2099273453 PBZAZSWCKZQUSS-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CC[C@@]3(C2)CC3(F)F)CC1 2099950845 VXRBNHRBUSYJNU-UKRRQHHQSA-N 268.347 4.518 30 10 CJEE C=CCC[C@@H](C)[C@]1(CNCC(C)C)CCC(F)(F)C1 2102100504 MQJRFKDASOSDLF-HUUCEWRRSA-N 273.411 4.640 30 10 CJEE C=C1CC(CCC2CCCCC2)(CNCC(C)C)C1 2103343290 BFTIYCAGFTZNAC-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE CCCCCCCCCCNC1C[C@@H]2CSC[C@H]2C1 2104792188 XHEBQNGRQDQJDD-HZPDHXFCSA-N 283.525 4.858 30 10 CJEE CCCCCCCC[C@H](NCC)c1nsc(CC)n1 2107055823 LNMFQZIOFWTHJR-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE C=CCCC[C@H](NCC)[C@@H](c1ccccc1)C(C)C 2107933810 MJHKLTOQPMSCDF-ZWKOTPCHSA-N 259.437 4.761 30 10 CJEE CCCC[C@](C#N)(CC)[C@@](O)(c1cccs1)C(C)C 2108208673 NKLRCYCMLXPWES-HOTGVXAUSA-N 279.449 4.702 30 10 CJEE C=CC1(CC(=O)[C@@H]2C[C@@H]3CCCCCC[C@H]32)CCC1 2111704210 DTCMPYLSKPBMDO-ARFHVFGLSA-N 260.421 4.908 30 10 CJEE C=CC1(C[C@@](C)(O)c2ccc(C(F)(F)F)s2)CCC1 2111708910 REFIQJJJWFHBJC-GFCCVEGCSA-N 290.350 4.721 30 10 CJEE C=CC1(C[C@H](C[C@@H]2C[C@H]2C2CC2)NCCC)CCC1 2111723665 XCHUBJSJLAEACT-IKGGRYGDSA-N 261.453 4.537 30 10 CJEE C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)C[C@H](CS)C(C)(C)C 2112219379 COCQTLBBMQISGT-FXUDXRNXSA-N 285.541 4.725 30 10 CJEE CC[C@H](C)C[C@@](O)(CC)[C@]1(C#N)CCCC(C)(C)C1 2112243912 MTYZULPLMQSGCX-UAGQMJEPSA-N 265.441 4.674 30 10 CJEE CN(C[C@H]1CCCC(C)(C)C1)C[C@H](CS)C(C)(C)C 2112250353 DQDFHZVYMKRUDX-LSDHHAIUSA-N 285.541 4.727 30 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4.767 30 10 CJEE C=CCCCCCCNC1C[C@@H]2CCC[C@H](C1)C2(F)F 2233625878 XRYBMFACUGGCCL-XYPWUTKMSA-N 285.422 4.927 30 10 CJEE C=C1CC([C@H](NCCC)c2ccc(CC(C)C)cc2)C1 2234024944 DJUJISQJZBKXSB-LJQANCHMSA-N 271.448 4.892 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CCCCCCC2CC2)C1 2234087222 MPPJCEPAJXDLOY-NJAFHUGGSA-N 276.468 4.607 30 10 CJEE COc1cc(Oc2cccc3ccsc23)ccc1C#N 2234322626 IJBQPTRAFUPPEW-UHFFFAOYSA-N 281.336 4.574 30 10 CJEE C=CCCCCCCCC1(C(=O)O)C[C@H]2[C@H](C1)C2(F)F 2235518781 JRYPIPFYPYNTIG-STQMWFEESA-N 286.362 4.649 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccncc1CC 2235532428 KLCJBHIMJFVJFR-GOSISDBHSA-N 274.452 4.821 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](OC)C1CCCC1 2235540287 VROGRKQGUHNLRF-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CC[C@H]2C[C@H]2CC1 2235542904 XMIMOYYUZNQXOD-MHORFTMASA-N 278.484 4.561 30 10 CJEE Cc1ccc(SC23CC4CC(CC(C4)C2)C3)c(C#N)c1 2238172737 CHTPWRVRRQDHMM-UHFFFAOYSA-N 283.440 4.928 30 10 CJEE CC(C)[C@]12CO[C@](CC3(C=O)CCCCCCC3)(C1)C2 2238246478 MSCUESUUXJEHQA-IYARVYRRSA-N 278.436 4.511 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](N)C12CCCCC2 2239489823 LVDLRNXQUMGFDA-SJORKVTESA-N 281.484 4.804 30 10 CJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@H](CC(C)C)C(C)C 2239562195 MFCPTBPYIBYDJT-QZTJIDSGSA-N 291.866 4.598 30 10 CJEE CCCCCCCC[C@@](C)(CO)Nc1ccccc1C 2240556998 TUCUXHXXUIXOKM-SFHVURJKSA-N 277.452 4.909 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)c1ccccc1 2240562075 GJZKVWYNKQZSJL-GOSISDBHSA-N 276.468 4.591 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccnn1C(C)(C)C 2240612354 NWSMDLMFZACBCF-QGZVFWFLSA-N 279.472 4.563 30 10 CJEE CCCCCCCC[C@](C)(O[C@H](C)CC1CC1)C(=O)O 2240617565 GUYZUVIPWJNAPF-PBHICJAKSA-N 284.440 4.786 30 10 CJEE SCCCCCCCSC[C@H]1CC12CCC2 2245902312 IHCTXZSLQLKAQN-CYBMUJFWSA-N 258.496 4.790 30 10 CJEE FC(F)(F)C1(CSCC2(CS)CCCC2)CC1 2247551229 WEIPBMJFPIBVFB-UHFFFAOYSA-N 284.412 4.552 30 10 CJEE C=CCCSc1cc(C)c(CN[C@H](C)CC)s1 2250020119 YANCURFUEWGFTJ-GFCCVEGCSA-N 269.479 4.613 30 10 CJEE CCCCCCCC[C@H](N)C1CC2(CC(C)C2)C1 2254490465 AQDYGJFVOLDKHV-PYCMUAIMSA-N 251.458 4.891 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1csc(C2CC2)c1 2256045717 JDGKSXZTTMVFCX-HIFRSBDPSA-N 261.434 4.632 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCCC[C@@H]2C[C@@H]2C)C1 2257304097 QIGNWVDPAYJSHC-YLFCFFPRSA-N 250.426 4.988 30 10 CJEE C=C(C)CCCC[S@](=N)(=O)CCCCCC1CC1 2259175803 IAYFYJUAZFNTBJ-GOSISDBHSA-N 271.470 4.750 30 10 CJEE C=C(C)CCCC[C@H](CC(C)(C)C1CC1)NCC 2259232876 GOCXJPPWAGFTMB-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@H](C)N[C@H]1CC(C)(C)CCC1(C)C 2261401975 KJOJJAKTBOPIQH-GJZGRUSLSA-N 251.458 4.926 30 10 CJEE C=CCCCCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2261439120 RIMFGLIEYPYVLV-HUUCEWRRSA-N 252.442 4.946 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(SC)nc1 2264567245 BBBUWAUWICHXSI-CQSZACIVSA-N 280.481 4.642 30 10 CJEE C[C@@](C=O)(CC[C@H]1CCCC12CC2)c1ccccc1 2266732005 ZNAXBBFSCIGTAZ-SJORKVTESA-N 256.389 4.504 30 10 CJEE C=C(C)CC[C@@H](C)Nc1cnc(C(F)(F)F)c(C)c1 2272548486 YATGBMUFIYBAKT-LLVKDONJSA-N 272.314 4.566 30 10 CJEE C=C[C@H](C)CCN(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2273220313 XHHDGESRKMNJIS-XWTMOSNGSA-N 263.469 4.737 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1csc(C)c1 2277000578 OIUOOWZDQLOYLZ-INIZCTEOSA-N 281.465 4.600 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@@H](C)C[C@@H]1C 2277228027 LRCGAICANGMXBK-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@](CC)(OCCN)[C@@H]1C[C@H]1C 2277366075 QDBKVRVVRBADJQ-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)C1(C#N)CCCC1 2278248090 QRRURPMZBVOWKI-INIZCTEOSA-N 265.441 4.962 30 10 CJEE C=C1CCC(CNC2(C)C3CC4CC(C3)CC2C4)CC1 2283169298 KFDAMCBMLNBKBH-UHFFFAOYSA-N 273.464 4.537 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCCCCCC1(F)F 2284077695 SNYUCDHHNXEFSM-MRXNPFEDSA-N 284.390 4.703 30 10 CJEE CNC[C@@H]1CCC(C)(C)C[C@@H]1CC=CC#CC(C)(C)C 2284083364 FUNMOZDEIMJEGN-IRXDYDNUSA-N 275.480 4.644 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCC(C)(F)F 2284166662 ZWRWFTXTTDMCPD-HNNXBMFYSA-N 285.422 4.786 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C1C[C@H]2CCC[C@H](C1)C2 2284178859 FKMUCJHSOJKLAO-XYJFISCASA-N 274.448 4.560 30 10 CJEE C=C(C)CCCCC(=O)c1cc(C)c2ccccc2n1 2287369005 CXUWCTQUXCAKSY-UHFFFAOYSA-N 267.372 4.862 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(OC(C)C)cc1 2287420454 JISKFONJEYGXQG-SFHVURJKSA-N 275.436 4.784 30 10 CJEE C#CC1(NC[C@H]2CC[C@H](CC)CC2)CC2(CCCC2)C1 2288208150 NSSBIMALCMKRNH-QAQDUYKDSA-N 273.464 4.519 30 10 CJEE O[C@@H](CC#CC1CCCC1)c1cc2cc(F)ccc2s1 2289846101 RPGRZVHMFWLISG-HNNXBMFYSA-N 288.387 4.658 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(F)cc(Cl)c1 2289882347 OXRDJOJLGRVGGF-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CCNCC1(CC#CC2CCCC2)CCC2(CC2)CC1 2289900419 CWERVCWKEWAICW-UHFFFAOYSA-N 273.464 4.520 30 10 CJEE CCCCCCC[C@@H](CCCCC1CC1)OCC(=O)O 2291329877 PCNRUYIYJKYZFI-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCC[C@](C)(C[C@@H](C)CC(C)(C)C)OCCC(=O)O 2291616073 OKHDNRGRNNUJTB-WMLDXEAASA-N 284.440 4.665 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)c1ccc(Cl)c(C)c1 2292703742 WSGNRWKIGDHGDP-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCCCCC[C@@](C)(OCCN)C(C(C)C)C(C)C 2292889169 RGEBQEAKQTUZNN-GOSISDBHSA-N 283.500 4.785 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCC2(CCCC2)C1 2293269700 UPOKQSBWNYKBHD-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCCC[C@@H]1C(C)(C)C 2293362745 HMVUBWYEASMQIP-CRAIPNDOSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H](C)[C@H]1C 2293409264 YZMLSUBVEMJQLO-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C1(CC)CCC1 2293775065 AXWRTXRYWGDIKI-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1sccc1C 2293783924 CYTGPVKCHNWLPD-MRXNPFEDSA-N 295.492 4.990 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1=CCCCC1 2294310372 VJZQWBJWXSFMMM-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@](C)(Cc1cccs1)OCCCN 2294356114 MCRKVMSXQFSQSH-KRWDZBQOSA-N 297.508 4.775 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H]1CC[C@H](C)C1 2294383982 CIVJKIRZDKOZKI-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCN[C@H](c1cccc(C#N)c1)c1cc2sccc2s1 2295516251 GFHULTHMJPJDAX-MRXNPFEDSA-N 298.436 4.533 30 10 CJEE CCCCCCCCC[C@@H](C)n1cc(CN)c(CC)n1 2295536159 KWHUEQOBSWKGPC-OAHLLOKOSA-N 279.472 4.606 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H](C)C1CC1 2295689725 UBVMQBJGXWPUSG-NXHRZFHOSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCN1CCCC1 2295691489 MKXYYQWYGALONW-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=C1C[C@@H]1COc1ccc(Br)cc1C(C)(C)C 2302319954 JIVYBHAFYWEXLO-LLVKDONJSA-N 295.220 4.702 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(F)ccc1Br 2304048607 KLAGGJFAFQGTEL-CQSZACIVSA-N 299.183 4.763 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc(Cl)c1Cl 2308053558 MFFSBEXJSAJOPI-SNVBAGLBSA-N 293.259 4.964 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2C[C@@H]2C1 2308145982 WMIRIHXPSDOLIK-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]12C[C@H](C)[C@@H]1C2 2308839343 KJNLOBAHBVNXIC-LUKYLMHMSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@](C)(N)C1(C(F)F)CC1 2317523508 CEKRMSFFWOARLM-AWEZNQCLSA-N 261.400 4.890 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2320151510 LOBBWIKOWYFPGA-KLHDSHLOSA-N 251.458 4.639 30 10 CJEE CC1=C(C)C[C@H](COCC2(CS)CCCC2)CC1 2320239252 CEJICANJMAQLJE-OAHLLOKOSA-N 268.466 4.630 30 10 CJEE CCCC(CS)(CCC)COCC[C@@H]1C[C@H]1CC 2320433666 AFGXYWDSHYUNPF-HUUCEWRRSA-N 272.498 4.956 30 10 CJEE CCCCCCCCCNC[C@@]1(Cl)CC12CCC2 2326834532 XJANBBZAVBNLGQ-INIZCTEOSA-N 271.876 4.878 30 10 CJEE CCCCCCCC[C@H](O)C[C@](C)(F)C(C)(C)F 2327949438 LJXGWISBPRLXQF-ZFWWWQNUSA-N 264.400 4.964 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330175582 VFNJNJGZJLVUKY-XGUBFFRZSA-N 273.411 4.616 30 10 CJEE CC(=NOCCCOc1ccc(C)cc1)c1ccc(C)cc1 2330449500 ILMNERYBPFIXQO-UHFFFAOYSA-N 297.398 4.513 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CCC1(F)F)NCCC 2335415804 RSCYDQHYDDWVAG-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338687691 BHXKHEDKFISWFA-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@H]1C[C@@H]1C1CCCCCC1 2338733133 PFQCKDMRRYTWIP-SQNIBIBYSA-N 261.453 4.689 30 10 CJEE CCC#C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341111672 WOVXTAAJKPUBOW-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1ccccc1C1CC1 2341695286 FQYVRUPKKCUSTN-KBXCAEBGSA-N 256.389 4.502 30 10 CJEE CO[C@@H](CSCCCCCCCS)c1ccccc1 2343479686 MUCMQWIPJUKJAO-INIZCTEOSA-N 298.517 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCC 2344341286 ALEGZFXABUHFPK-JCECYMMASA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1csc(C(C)(F)F)n1 2344371496 KOSJYQRVHLWLMI-WCQYABFASA-N 288.407 4.508 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cccc(C(F)F)c1F 2344378458 GNOOECLQQHCMGR-CYBMUJFWSA-N 271.326 4.626 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C1C2CC3CC(C2)CC1C3 2344412164 PTKHOYSZJNLRMH-JHRMKZCVSA-N 260.421 4.620 30 10 CJEE C=CC[C@H](C)C(=O)c1cc(Cl)ccc1OC(F)(F)F 2344419850 JVFNAQIAGOIZQF-QMMMGPOBSA-N 292.684 4.634 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@@H]1C1CCCCC1 2344475869 XDVANZIOMASTSW-TVFCKZIOSA-N 264.453 4.946 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](NCC)CC2(CCC2)C1 2360323468 ILFHUEHEAMRFDE-DOTOQJQBSA-N 293.520 4.941 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)[C@H](C)CC1CCC1 2360334047 PRPWAWCIDYLMIX-WBVHZDCISA-N 282.468 4.883 30 10 CJEE CCCN[C@](C)(C#N)C[C@@H](C)SCC1CCC(C)CC1 2360506565 MOYVYLIPHSCOBX-MYBQVCMBSA-N 296.524 4.606 30 10 CJEE COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1)CC2 8448319 CBPVONLZFZEJRD-UVTDQMKNSA-N 298.769 4.561 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1ccc(Cl)c(Cl)c1 37970127 ODTIGVDDWCTALF-OAHLLOKOSA-N 297.229 4.870 30 10 CJEE CCCCCCC[C@H](C)NC1CCN(CCCC)CC1 59487404 LSWJQDHYKBHQIG-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCOCC(=O)c1ccc(C(C)C)cc1 59526158 VBNGQWWHDHZSIB-UHFFFAOYSA-N 276.420 4.980 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1ccc(C)cc1 59526170 JVXCLULOAAAWCB-HNNXBMFYSA-N 262.393 4.553 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccc(C)c(C)c1 61682010 BQSVHQASZNEIQT-NVXWUHKLSA-N 271.404 4.696 30 10 CJEE N#Cc1ccc(Nc2ccc(N3CCCC3)cc2)cc1Cl 62996696 ZRKDBZXVQCEUQN-UHFFFAOYSA-N 297.789 4.555 30 10 CJEE C=C(C)COc1ccc(-c2nc(S)sc2CC)cc1 75420781 UOWFDRNYPPOIHZ-UHFFFAOYSA-N 291.441 4.616 30 10 CJEE CCOc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1 77085209 BLDRLQVQSPWMRQ-UHFFFAOYSA-N 269.344 4.514 30 10 CJEE CC1(C)CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 79679296 WNDHHFWRSNKPJQ-UHFFFAOYSA-N 296.336 4.958 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2C#N)C1 85066276 MHNJTQHKZSHOTC-VXGBXAGGSA-N 262.784 4.592 30 10 CJEE Cc1cc(C)cc(Nc2c(C#N)cnc3ccc(C)cc23)c1 85346642 XPRHDSGAXGRGRM-UHFFFAOYSA-N 287.366 4.775 30 10 CJEE CCCN[C@@H](C)c1ccc(SCCC(C)(C)C#N)cc1 87594971 ZZLZONCWPGUTJY-AWEZNQCLSA-N 290.476 4.779 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCOCC(F)(F)F)CC1 87971950 OMAAFBFAKJQCPC-UHFFFAOYSA-N 291.357 4.702 30 10 CJEE CC1(C)CCC[C@@](O)(C2(C#N)CCCCCC2)CC1 91903381 CFSHEOFLOWQFDN-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE C=CCSc1ccccc1NCc1cc(C#N)cs1 93687213 CAQUPKUUPOGGRU-UHFFFAOYSA-N 286.425 4.510 30 10 CJEE CCCCCC(C)(C)CNc1ccc(C#N)cc1F 94989150 RFVYUIULLFCFPH-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE SCCCCCCCCCn1cnc2ccccc21 97799903 GWVGKGVMYBCLEY-UHFFFAOYSA-N 276.449 4.697 30 10 CJEE CCCCCCCNC(=O)/C=C\c1c(F)cccc1Cl 102241542 NWBQGDDEHPTQGV-KHPPLWFESA-N 297.801 4.579 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1N 103988482 JCHQGCSCCDUADM-YESZJQIVSA-N 269.473 4.516 30 10 CJEE Cc1cc(C)cc(Nc2ccc(C#N)cc2Cl)c1 103998623 UQSXZIJOAWWVRF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCOc1cc(OCC)c([C@H](C)CCS)cc1Cl 107675633 DBRFFQPIQMQTPR-SNVBAGLBSA-N 288.840 4.561 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(Cl)cc1 109705424 NCQQSTXHWMLWQH-OAHLLOKOSA-N 253.817 4.874 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1C)NCC 109730595 CXTCVVKPIFOJAK-GOSISDBHSA-N 261.453 4.876 30 10 CJEE CCCCCCCCO[C@@H](C)CCCNCC(C)C 110171293 RDZOJONQZNPTMQ-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCO[C@H](C)CNCCCCC 110239589 OXKRYABOBOQVKC-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(C(F)(F)F)c1 110256542 FETNTTIMPDQKSJ-ABAIWWIYSA-N 296.336 4.592 30 10 CJEE CCCCCCCCC(=O)N(C)[C@@H](C)c1ccc(O)cc1 115858566 YPUYZFBXVMGRON-HNNXBMFYSA-N 291.435 4.662 30 10 CJEE CCCCCCCC[C@H](NC)[C@](C)(CC)N1CCCCC1 118163963 JUWCEEYKLNVCES-OALUTQOASA-N 296.543 4.980 30 10 CJEE C#CCCC[C@H](CCCCCCCC)NCCC 122825405 CCYZVTZQRJTRCS-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](OCC)C(C)C 128269448 QRWJDFNNYAKBKH-CVEARBPZSA-N 257.462 4.516 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 129277264 RFSCGEAQLHTDAV-ZACQAIPSSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCCC)[C@H](C)C1 129391333 NODGNODSLWLINW-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CCCCS1 130175057 UBVVKYXDTSKEHF-CVEARBPZSA-N 286.529 4.635 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1cnn(CC)c1 131994764 MUJCRJUHSXAUNT-SFHVURJKSA-N 293.499 4.694 30 10 CJEE CCSc1cccc(OC/C=C/c2ccccc2)c1C#N 136710533 URUHDLRXOZBVBK-JXMROGBWSA-N 295.407 4.762 30 10 CJEE CCCCCCCCCCN1CCCCCC1=O 137128785 PCEPYENXHJPCEF-UHFFFAOYSA-N 253.430 4.530 30 10 CJEE C[C@@H]1CC(C)(C)C[C@](O)(C2(C#N)CCCCCCC2)C1 156785531 HVASRTIYIQFNEC-QAPCUYQASA-N 277.452 4.818 30 10 CJEE CCCCCCC/C=C/CCO[C@H]1CCCCO1 207366176 MRGHJUGDUVOYCA-ROJDOSBLSA-N 254.414 4.836 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 219703576 LVBWRPWNQXFPCV-BZUAXINKSA-N 251.458 4.641 30 10 CJEE CCCC[C@H](CCC)n1c(S)nc2ccc(C#N)cc21 225797364 GKTUZLYAGDXKTP-ZDUSSCGKSA-N 287.432 4.728 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2nc(C)c(C)c2C)C1 226767163 STZPYHAZGTUWRL-ZACQAIPSSA-N 287.451 4.726 30 10 CJEE CCCCCCCCCCNCc1cncc(C)c1 228687085 WBDBLEQYDZJXAM-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC3(CCCCC3)O2)C1 229465532 YJGFSEWZIYGQMC-IKGGRYGDSA-N 275.436 4.978 30 10 CJEE C[C@@]12CC3CC(CC(=O)C4=COCCC4)(C1)C[C@](C)(C3)C2 229518555 UAWZOPCZLXETDO-KOCGSPDRSA-N 288.431 4.637 30 10 CJEE CCC(CC)N(CC(C)C)c1ccc(C)cc1C#N 232877830 BFNAOTZBLXGQGT-UHFFFAOYSA-N 258.409 4.518 30 10 CJEE CC[C@@H](C)CSc1ccc(C#N)c2ccccc12 233857367 QEWBKJIQMVXJTQ-GFCCVEGCSA-N 255.386 4.850 30 10 CJEE CCSc1cccc(N2CCC(C(C)C)CC2)c1C#N 233865951 XEYNOSXYJCSEJN-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(C)cc1Cl 235795173 XKPLAIGQFYHHSR-QGZVFWFLSA-N 279.855 4.771 30 10 CJEE Cc1cc(C)c(CNc2ccc(C#N)cc2Cl)cc1C 235844225 IFGZWMLCAAIIDQ-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE O=C(Cc1csc2ccccc12)C1=CCCCCC1 236389374 APBPFDPRNGOJEK-UHFFFAOYSA-N 270.397 4.903 30 10 CJEE CC(C)(C#N)c1cc(F)c(Cl)c(Cl)c1Cl 238095699 IAMJAIZJILXNTJ-UHFFFAOYSA-N 266.530 4.587 30 10 CJEE CCCCCCCCC(=O)[C@@H](CC)NC(=O)OC(C)(C)C 238205227 DBIALBNOLMPDLR-CQSZACIVSA-N 299.455 4.609 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@H]1NC 250836429 VDAOIQNAEBQKAL-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2CC[C@H]1O2 250838081 WGVOFFVAFGKKPY-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE Cc1ccc(C(C)(C)C)cc1NC[C@@H](C#N)C(C)C 259099989 WTKDHTOGTJKPHF-CQSZACIVSA-N 258.409 4.500 30 10 CJEE CSc1cccc(Br)c1[C@@H](CC#N)C1CC1 260683239 SDOFJMMDUVPOFY-JTQLQIEISA-N 296.233 4.578 30 10 CJEE CCC(=CC(=O)c1c(Cl)ccc(F)c1F)CC 304343349 PESLLTIJWYCEAW-UHFFFAOYSA-N 258.695 4.547 30 10 CJEE Cc1cccc(Nc2c(C)cccc2C#N)c1Cl 305980070 HXCLYSKTRWVGQF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCC1(C[C@]2(C#N)CCCc3ccccc32)CCC1 311801625 KMSZPQGDFQIGKJ-SFHVURJKSA-N 253.389 4.755 30 10 CJEE C=CCC(C)(C)CNCc1cc(F)cc(C(F)(F)F)c1 312348425 RMKJTNDYGJHFMK-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE C=CCCC[C@@]1(CNCC(C)C)CC[C@H](CC)C1 318176856 NGLVOGSIKJBBSL-DLBZAZTESA-N 251.458 4.785 30 10 CJEE C=CC[C@H](C)[C@@H](C)N[C@H](CCCC#N)c1ccccc1 340437981 XLTALTSICYXMIH-LZLYRXPVSA-N 270.420 4.612 30 10 CJEE C=CCCCCC[C@H](NCC)c1sccc1F 383531127 QYHZJJGPKXHPJS-ZDUSSCGKSA-N 255.402 4.674 30 10 CJEE C=C([C@H](NCC)C1CCC(C(C)(C)C)CC1)C(F)(F)F 383533511 BNKOQRMJNOMXPZ-RUXDESIVSA-N 291.401 4.936 30 10 CJEE CC[C@H](CS)CSc1cc(C)c2ccccc2n1 385169671 OIPNLYJNEHIYCE-GFCCVEGCSA-N 277.458 4.591 30 10 CJEE C=C([C@@H](NCCC)c1ccccc1SC)C(F)(F)F 388280754 QNVGWNRDQVDYND-CYBMUJFWSA-N 289.366 4.568 30 10 CJEE CCCCCCC[C@H]1N([Si](C)(C)C)C(=O)C12CCC2 388378693 RBDUPGXZXNKRMT-CQSZACIVSA-N 281.516 4.563 30 10 CJEE C=C(COCCC)[C@@H](NCC)c1cccc2ccsc12 395631534 CNUUZBDXIYJZHI-MRXNPFEDSA-N 289.444 4.535 30 10 CJEE N#CCc1c(C(F)F)sc2ccc(Cl)cc12 396184114 AYQLBIGTVLPROW-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2c(F)cc(F)cc21 398288647 WTQACPNIKQKYPJ-VIFPVBQESA-N 282.359 4.521 30 10 CJEE C[C@@H](COCC1(CS)CCCCCC1)C1CCC1 398425901 IFVOKKADJXEZOS-AWEZNQCLSA-N 270.482 4.710 30 10 CJEE CCCCCCCCC[C@@H](N)CCC[C@@H]1CCOC1 400935389 ALTMLPAORNSYGU-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C[C@](C#N)(Cc1cc(F)ccc1Cl)c1ccccc1 405697154 OJMKZUOPKLFPKE-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)CCC1CC1 505029665 PDWDPYLRRXCKOZ-CQSZACIVSA-N 286.419 4.505 30 10 CJEE C=CCCc1ccccc1NC(=O)CC[C@@H](C)CC 560711697 DWXLBFSMPACPDW-AWEZNQCLSA-N 259.393 4.570 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCC[C@H](OC)C1 686353381 WUEDWEOHCXLRCG-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=C(CC)CC1(CNC)CC(C)(C)CC(C)(C)C1 687986755 JBIBPTPXMRNIEB-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1OC 689956160 AYHPQAYZHQSUIW-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2C#N)C1 695702776 CIZYMUFJDDJWKQ-DOMZBBRYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(N)ccc1F 695910171 JZHBATHUCMRFKL-INIZCTEOSA-N 267.388 4.582 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCNCC 696408071 MZGICXCTVLCDTN-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CCCCCCCCC[C@H](NC)c1c(F)cncc1F 699001846 BPKRTDSYLXCDQT-HNNXBMFYSA-N 284.394 4.761 30 10 CJEE CCCCCCCNCc1ccccc1OC(F)(F)F 703724634 WZONGRSNCHFUMP-UHFFFAOYSA-N 289.341 4.645 30 10 CJEE C=C(Cl)C[C@@H](Cc1c(F)cccc1Cl)NCCC 710583489 IYZFYFPPLLQGEQ-NSHDSACASA-N 290.209 4.532 30 10 CJEE CC[C@@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1)C(C)(C)C 711159797 YGWMSNNYRLHDQZ-ZFWWWQNUSA-N 291.822 4.979 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)COC)NCC 712626135 NOVNRAUDILTXQI-INIZCTEOSA-N 271.489 4.778 30 10 CJEE C=CC[C@@H](C)C1(CNC2CC2)CCC(CCC)CC1 715713368 GCDOTKJYZLUULB-KLHKWILBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(C)c(Br)c(C)c1 715727256 XRVCKPRTBMCDBQ-BMIGLBTASA-N 296.252 4.539 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@](C)(C#N)c1ccccc1 719637869 SJMFQWWYCVAFSR-PXNSSMCTSA-N 293.410 4.711 30 10 CJEE C=CC(C)(C)CCN[C@H](CC)CC1CCCCC1 720987212 SCNMBUVVFSRWOR-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE N#Cc1ccc(OC2CCCCCCC2)c(Cl)c1 721056465 RCVYQOGIAHSAKU-UHFFFAOYSA-N 263.768 4.703 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H](C)O[C@H](C)C1)NC 724520788 UDHVBEGHQSYIRF-VSZNYVQBSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](O)Cc2ccc(F)cc2Cl)CC1 724556379 NHLWVLHEBUHPRU-HNNXBMFYSA-N 282.786 4.519 30 10 CJEE C=CCC[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 773067869 HRPZKVCJXRIVLD-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=C(C)CCC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 1129869442 USHMJMNFWMEQAD-ROUUACIJSA-N 285.431 4.528 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccsc12 1130905334 XWISSLPIUGZOKI-CJNGLKHVSA-N 299.439 4.766 30 10 CJEE C=CCCCN(CC)C(=O)/C(C)=C/c1ccc(Cl)cc1 1134802107 HKLPVCQZTJPDDG-BUHFOSPRSA-N 291.822 4.558 30 10 CJEE C=CCCCCCN1CCC2(CCc3ccccc3O2)CC1 1174734056 FEZXKZNGPMDKBQ-UHFFFAOYSA-N 299.458 4.593 30 10 CJEE C#Cc1ccc(CNC2CCC(CC)(CC)CC2)cc1 1202233095 FGILVUOPWXOWGA-UHFFFAOYSA-N 269.432 4.507 30 10 CJEE C#Cc1cccc(N[C@@H]2CC[C@@](C)(c3ccccc3)C2)c1 1205277634 RVIKTEKIAYQTOC-WOJBJXKFSA-N 275.395 4.590 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCC12CCC2 1229460702 RCVFQSQFAKWPFD-UHFFFAOYSA-N 292.467 4.631 30 10 CJEE C=C(CC)CN[C@@H](C)CCc1ccc(OC/C=C/C)cc1 1308817949 NKONOXUNKFUWQY-UABRLCRWSA-N 287.447 4.518 30 10 CJEE C=CC[C@H](C(=O)Oc1cc(C)ccc1C)c1ccccc1 1348563207 RZRXSMQUJBXKAG-KRWDZBQOSA-N 280.367 4.569 30 10 CJEE C=C(C)CCC(=O)N(CCC)Cc1c(F)cccc1Cl 1350096203 CQCJQEWWVWZILN-UHFFFAOYSA-N 297.801 4.574 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1447810068 OCCMJBNLIUKPKA-HOTGVXAUSA-N 279.468 4.700 30 10 CJEE C=C(C)CCSc1ccccc1Br 1458864544 ARFBZTADZWHWMA-UHFFFAOYSA-N 257.196 4.507 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 1461119121 CVGLYINAVMOPIH-YPMHNXCESA-N 284.230 4.828 30 10 CJEE C=C(C)CN(CCCC)Cc1ccccc1Cl 1473142021 ZTQVTSAQSKZKDN-UHFFFAOYSA-N 251.801 4.518 30 10 CJEE C=CCCCCNC(C)(C)Cc1ccc(C(F)(F)F)cc1 1473387436 FDYVTGVGPFVQMR-UHFFFAOYSA-N 299.380 4.972 30 10 CJEE C=CC[C@@H]1N(C(=O)c2ccc(C=C)cc2)CCCC1(C)C 1524930742 KHVVOJCNTYZGGQ-KRWDZBQOSA-N 283.415 4.537 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCCC2(CC2)C1 1527378007 KPDFXQJXEMURIF-KRWDZBQOSA-N 291.479 4.990 30 10 CJEE C#CCCCCCC(=O)N1CCCC1(CCC)CCC 1537010994 FAUOPJZCHVNRET-UHFFFAOYSA-N 277.452 4.532 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(COC)cc1 1560792364 HPYBFEVGIUBSFA-OAHLLOKOSA-N 261.409 4.770 30 10 CJEE C=C(C)CN(CC)C(=O)[C@@H](C)SC(CC)(CC)CC 1613708126 KJFFZXMEDMIFHW-CQSZACIVSA-N 285.497 4.502 30 10 CJEE C#CCCCCCCNc1cccc(O[C@H](C)CC)c1 1621356220 ULEOJBSVJNHXFG-MRXNPFEDSA-N 273.420 4.860 30 10 CJEE C#C[C@@H](NCc1ccc(C2CC2)c(C2CC2)c1)C(C)(C)C 1621366388 NGUAVHSTZYYNKO-LJQANCHMSA-N 281.443 4.579 30 10 CJEE C#CCCCCCCOc1cccc(Cl)c1Cl 1640681137 PSCHRRFIJDJGAI-UHFFFAOYSA-N 271.187 4.956 30 10 CJEE C=CCC[C@H](NCc1cccc(OC)c1C)c1ccccc1 1642481824 MEPUOEJPSALGIA-IBGZPJMESA-N 295.426 4.801 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H]1CCC(C)C 1645312160 SXGSUEVYQTYESK-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE C=CC[C@H]1CC[C@H](NCC(C)(C)c2ccc(CC)cc2)C1 1650640668 LUWOMSBPMGQOHK-HKUYNNGSSA-N 285.475 4.861 30 10 CJEE C=CCCCCCCNCc1cc2cc(F)ccc2o1 1651060507 BHMOTDKTIVSXLR-UHFFFAOYSA-N 275.367 4.798 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H](CC)CC(F)F 1658520142 CPJDQOAKUDJEQN-OAHLLOKOSA-N 281.390 4.746 30 10 CJEE C#CCC1(NC[C@@H](C)c2cccc(Cl)c2)CCCCC1 1658963595 KHOALOFEXDZHIV-OAHLLOKOSA-N 289.850 4.759 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(F)c2ccccc12 1659039884 DKQWUFXCGIIQQV-HNNXBMFYSA-N 269.363 4.519 30 10 CJEE C=CCCCCCN(C)Cc1csc(C)c1C 1663889173 QSBOUTNFZVUNQB-UHFFFAOYSA-N 251.439 4.543 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@H]1CCCCC 1684446553 KFPRXAGERIZZMX-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE CC#CCCCC[C@H](CC1CCCCC1)NCCC 1879646760 IEJZKGRLCJZMGJ-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCCN1C(=O)CC(C)(C)[C@@H]1C 1883861658 INBXWOIPZBAINT-HNNXBMFYSA-N 267.457 4.774 30 10 CJEE 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IPTZWZLDDMLDGX-KBXIAJHMSA-N 273.411 4.616 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2333960923 QNRLLGFPNSGPNF-SMLCLMEVSA-N 269.448 4.852 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)C(C)(C)C(F)(F)F 2335104244 XTFMKDZOFUMLEE-NEPJUHHUSA-N 297.430 4.641 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCC1(F)F)NCC 2335420737 YNFIKLCZGOCGMK-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CC#CCCC(O)(C1CCCCC1)C1CCCCC1 2338418324 FSWMPUOGFHBGJF-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE CC=CC[C@](C)(CCCCCCCCC)OCCN 2338534224 ZJYOTOVWOVHGDH-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1(C)C(C)(C)C1(C)C 2338738713 OMACYBNSSRBQTO-OAHLLOKOSA-N 263.469 4.805 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1COCC1(C)C 2338977622 IWXIIVYUJIEVID-RDJZCZTQSA-N 270.457 4.551 30 10 CJEE C#Cc1ccccc1N[C@H](C)C1CCC(C)(C)CC1 2339955564 VAUGKKUSCNTTRO-CQSZACIVSA-N 255.405 4.685 30 10 CJEE CCCCCCCCCCOC[C@H](O)[C@H]1CC1(C)C 2340942341 IIHAXYRCEHAHQF-CVEARBPZSA-N 270.457 4.551 30 10 CJEE C=C(C)CCCC[C@H](CCCCCOC)NCCC 2341334329 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Cc1ccc(C#N)c(N[C@H](C)c2ccc(Cl)cc2)c1 51579984 KFORWQVLJLJLMG-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CC(C)[C@@H](Nc1ccc(F)c(C#N)c1)c1ccccc1 51636063 PDBSJEAGODRCNI-QGZVFWFLSA-N 268.335 4.507 30 10 CJEE CC(C)c1ccc(C(=O)[C@@H](CC#N)c2ccccc2)cc1 55026208 XXEBGISOXRKEKZ-SFHVURJKSA-N 277.367 4.690 30 10 CJEE CCCCCCCOC[C@@H](N)c1c(C)cc(C)cc1C 59083334 SANKOMLNQDQHGQ-QGZVFWFLSA-N 277.452 4.599 30 10 CJEE CCCCCCCCOc1c(C)cc(C(=O)O)cc1C 59089369 IEWAMYSNBLKZSB-UHFFFAOYSA-N 278.392 4.741 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)ccc1OC 59384274 BHRHGHDHPQBHBD-MRXNPFEDSA-N 263.425 4.625 30 10 CJEE CCc1sc(-c2ccc(Br)s2)cc1C#N 77098023 NDZWUVVMNLOZIE-UHFFFAOYSA-N 298.230 4.673 30 10 CJEE CC(C)c1cc(CC#N)c2cc(Cl)cc(Cl)c2n1 82467921 NSBPIGDBPWFYON-UHFFFAOYSA-N 279.170 4.731 30 10 CJEE CCC(C)(C)c1ccc(OCC2(CS)CCC2)cc1 94582858 GJQUZRDZYANYEL-UHFFFAOYSA-N 278.461 4.853 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C(F)(F)F)ccc1F 94595060 PWOINAIPUURWRC-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)ccc1C 103939669 ODVAQBCPBPSQMG-INIZCTEOSA-N 251.389 4.755 30 10 CJEE CCCCCCCNc1nc2ccc(OC)cc2s1 106351589 IHHKNPTVFHCSHE-UHFFFAOYSA-N 278.421 4.687 30 10 CJEE C#CC[C@H](CC)c1ccc(OCC)c(C(C)(C)C)c1 107591460 ZAQMDRJKXSXSTE-AWEZNQCLSA-N 258.405 4.900 30 10 CJEE CCCCCCCCC[C@H](Cc1nc(C)cs1)NC 108171181 PGYPSCBQTMNFQE-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CC[C@H](C)[C@H](C(=O)C1=CCCCC1)c1ccccc1 110174747 RVVHXJHIJCDPRX-YOEHRIQHSA-N 256.389 4.886 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 110264165 JBQUVYABOSFZPQ-DUQPFJRNSA-N 290.495 4.851 30 10 CJEE CCCCCCCC[C@@H](CCOc1ccccc1)NC 112888591 OYGSLWOANTXOJA-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE CCCCCCCCCCn1cc(CNC2CC2)c(C)n1 112932884 LCKKWZSOQGJNAJ-UHFFFAOYSA-N 291.483 4.584 30 10 CJEE CCCCCCCCCCNC[C@]1(O)CCC[C@H](C)C1 115638282 WRSPJSYUTPMLPN-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)OCCO2 115651499 CPZFXZNPDRREIJ-MRXNPFEDSA-N 292.419 4.632 30 10 CJEE CCCCCCCO[C@H]1C[C@H](NCCC)C1(CC)CC 117339973 SJPADXWZODDXMV-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)c1ccccn1 117687268 VXDMAPFEVLOLIH-SJORKVTESA-N 276.468 4.914 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(F)ccc1C 126918367 WMLUMXYFWQZSQI-QGZVFWFLSA-N 265.416 4.755 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@@H](O)C1(C)C 128530828 PAMHBTRKNDCYPP-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CC(C)c1cccc(C(C)C)c1N/C=C1/C=CC=CC1=O 135816394 FMHAHGQOEGRFJZ-QINSGFPZSA-N 281.399 4.924 30 10 CJEE CSc1cccc(NCCC2CCC(C)CC2)c1C#N 136670446 PEHMEYOKHSGOGJ-UHFFFAOYSA-N 288.460 4.908 30 10 CJEE FC(F)(F)/C(Cl)=N/c1cccc2ccccc12 137448279 WMYIMHCLYPBXPC-BOPFTXTBSA-N 257.642 4.671 30 10 CJEE CCCCCCCCCCC1(CO)C[C@@H]2C[C@@H]2C1 158230632 JVGJLRGMQUZROR-SJPCQFCGSA-N 252.442 4.926 30 10 CJEE CCCCCCCCC[C@H](O)[C@@](C)(CC)OCC 158357450 WCLVCBKMUZBFPT-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CCC[C@@H]1CCN(CC(CS)(CCC)CCC)C1 163657448 NJAYEOJOCUEJQU-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE CCCCCCCC[C@H](O)CCc1ccc(OC)cc1 168360186 BMVKCEBWZRSMCE-KRWDZBQOSA-N 278.436 4.739 30 10 CJEE CC(C)c1ccc([C@H](NCc2ccc(C#N)o2)C(C)C)cc1 174247083 CZIARAMHBNHJCC-LJQANCHMSA-N 296.414 4.762 30 10 CJEE CCCCCCCCC/C(C)=C\CCNCCOC 212002136 QUXMXCZJOXYCOS-LGMDPLHJSA-N 269.473 4.700 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1c2ccccc2CC1(C)C 213247817 QMKKWUFSNQPSJK-SFHVURJKSA-N 276.383 4.602 30 10 CJEE N#C[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1Sc1ccccn1 222253101 ZLFUJERALUTJQT-ZACQAIPSSA-N 294.423 4.650 30 10 CJEE CCCCCCCCCC[C@@H](N)C1[C@@H]2CCC[C@@H]12 229149140 AANUVQOAYFYJNH-BZUAXINKSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)[C@@H](C)C1 229578671 YHMDCKLPMRSBLQ-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE CC(C)c1sc(C(C)(C)C#N)nc1-c1ccccc1 231790884 TWQBYUAAUNZHMX-UHFFFAOYSA-N 270.401 4.735 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Br)c(Cl)c1 232192914 CXXUOYHUNIYJPR-VIFPVBQESA-N 288.616 4.869 30 10 CJEE CCCCCCCC[C@@H](COCC(F)(F)F)NCCC 232358101 BMMIWZLCRCFYBC-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@@H](CS)C(C)C 232549428 ALZIRHUANKSBAI-INIZCTEOSA-N 273.530 4.583 30 10 CJEE CC(C)Oc1cccc(C(=O)C2=CCCCCCC2)c1 232710846 HMUJAZJIUWDIJM-UHFFFAOYSA-N 272.388 4.937 30 10 CJEE CCCCCCCCCc1nc(CC)n(C2CC2)c1N 232962289 LVYHSAFMVFIIGZ-UHFFFAOYSA-N 277.456 4.656 30 10 CJEE C=CCCCCC[C@@H](CCc1ccco1)NCCC 233124136 LURMPAHXNXWWHI-INIZCTEOSA-N 263.425 4.717 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1Cc2ccccc2S1 233604716 GZEBKJIMHCCNLT-AEFFLSMTSA-N 289.488 4.818 30 10 CJEE C=CCCCCCN[C@H](C)c1cc(C)sc1C 235204484 PWWBAXGJLXCCLA-CYBMUJFWSA-N 251.439 4.762 30 10 CJEE N#Cc1ccc(SCc2ccco2)c2ccccc12 236183566 SFBYBBUJMIZCCH-UHFFFAOYSA-N 265.337 4.597 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NCCC)[C@]1(C)CC 250831331 RGQNMUGOERBTRL-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cccc2c1CCCC2=NO 252677161 UINUQWGVNDHHCP-CXAGYDPISA-N 287.403 4.549 30 10 CJEE CC(C/C=C\c1ccccc1)=NNc1ccccc1 254287883 FXFRKROXJLRPEN-GPHIBNKYSA-N 250.345 4.578 30 10 CJEE N#CC[C@H](c1cc(Cl)cc(F)c1Cl)C1CC1 260896047 VXFPHNLSMGACMR-VIFPVBQESA-N 258.123 4.540 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)CC1 307932783 YPYMTJIUPZJVSH-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(F)c(Cl)c2)c1 308122729 PKDKFLAGHGNZBK-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)cc1C 310929053 LEPACCFSWDCHDB-UHFFFAOYSA-N 265.828 4.875 30 10 CJEE CCCCCCCn1ccc(CNCC(C)C)c1CC 312992745 XUSHTTODISWFGZ-UHFFFAOYSA-N 278.484 4.767 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)Sc1ccc(Br)cc1 319847358 MWKUPZKTAMNLKC-MFKMUULPSA-N 298.249 4.725 30 10 CJEE CC[C@@H]1[C@@H](C)CCN1CCCCCCCCCS 384304565 AAILJRRKVJWWEI-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1CCCOC1 389007408 RRSZCMWPCIYPQJ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCN[C@H](C)CCOCc1ccccc1 389937875 KSOUGGLAOIRPJO-QGZVFWFLSA-N 277.452 4.542 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)CCc1ccc(OC(F)F)cc1 393771915 UMLCKJLEEZELIL-UKRRQHHQSA-N 297.389 4.553 30 10 CJEE CCCCCCCO[C@H](CNC(C)(C)C)C(C)(C)C 395623832 ZCTJGHRYEYYKQY-OAHLLOKOSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)[C@@H]1CCCN1 400470935 XVBJSOQVUUDBJY-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](C)CC(F)(F)F)C1 402666673 YQFUYEJBDMLVTK-UPJWGTAASA-N 264.331 4.751 30 10 CJEE CCCCCCCC[C@H](C)/C=C/CCC(=O)OC 504231358 JWWCQMLKFJOOAT-VOMSXAGXSA-N 254.414 4.883 30 10 CJEE C=CCCC[C@H](C)N1CCC(OC2CCCCC2)CC1 552827518 UBRKHAJJIKUWGD-INIZCTEOSA-N 279.468 4.545 30 10 CJEE C#CCCCCC[C@@H](NCCC)C(C(C)C)C(C)C 686679950 VXDRBYIZGYAKGB-QGZVFWFLSA-N 265.485 4.867 30 10 CJEE C#CCCCCCC(=O)c1ccc(Br)cc1C 686691499 LMJBUWXWMVOJLC-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H](CC)CC(F)(F)F 686704488 WDZLGMAPWDQDDJ-UONOGXRCSA-N 277.374 4.527 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCN(C)C1 690423164 WCEFMOUPLUVCJK-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCC1 691097806 BUPOMONRQUHRBN-WBVHZDCISA-N 263.425 4.572 30 10 CJEE C[C@H]1CCCCC[C@@]1(C#N)Nc1ccccc1Cl 691108131 WZWPTVWSWGFSDH-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)[C@@H]1CCC12CCCCC2 694231744 ZANZZUGJPFKUGB-LSDHHAIUSA-N 283.525 4.623 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc2ccccc2c1 695810573 FUYPAHBXDFZURJ-CYBMUJFWSA-N 252.361 4.580 30 10 CJEE CCCCCCCCOCc1ccc(C)c(C(N)=S)c1 701838071 NHDQLFCWACLEDL-UHFFFAOYSA-N 293.476 4.506 30 10 CJEE CCCCCCCNCC(C)(C)CC(F)(F)F 703773236 YPXPRQQMSOXJFW-UHFFFAOYSA-N 253.352 4.525 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CC1(c2ccccc2)CC1 704066104 SHABQKBBEAEWIB-MAUKXSAKSA-N 253.389 4.828 30 10 CJEE C#C[C@H](N[C@H](C)c1cc2ccccc2s1)C(C)(C)C 705329736 CFRPUHFWJRJPQS-WBMJQRKESA-N 271.429 4.600 30 10 CJEE CCCCCCC[C@@H](Cc1ncccc1Cl)NCC 707359988 NQJQEMZZIQJSLF-AWEZNQCLSA-N 282.859 4.616 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CCSC1)NCCC 708739517 WQRUBIJPOCDYFN-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE CC(C)(C#N)CCC1(C(=O)O)CCC(C(C)(C)C)CC1 709454482 VPGXWEYRMLOZHJ-UHFFFAOYSA-N 279.424 4.624 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2(OC)CCCCC2)C1 710330248 RSOHUJZSRROWBO-HOTGVXAUSA-N 266.425 4.511 30 10 CJEE 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CJEE N#Cc1ccc(Nc2ccccc2OC(F)F)cc1Cl 61850804 UQMYMGCLBQBVAO-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE C[C@H](C#N)Cc1ccc2cccc(Oc3ccccc3)c2n1 62704512 FAVQXBSANSAJHG-AWEZNQCLSA-N 288.350 4.729 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C#N)cc2Cl)c(C)o1 62791139 KXJCMVMZLPCIKX-JTQLQIEISA-N 274.751 4.595 30 10 CJEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCCC(C)C 66117750 UBYWDDNTMHMIGP-UHFFFAOYSA-N 288.431 4.950 30 10 CJEE CCCC[C@](C#N)(CC)Nc1ccc(Br)cc1 69381306 VMFYAGZJFPRTLW-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc2cccnc12 69502955 ZSBSHFRLMBZQHX-MRXNPFEDSA-N 293.757 4.565 30 10 CJEE C[C@@H]1CCC[C@H](CCNc2cc(Cl)ccc2C#N)C1 70539641 CQYPFGKIAFFZAU-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE C[C@H]1CCC[C@H](Sc2nc3ccccc3cc2C#N)C1 71390712 KNIJOMIRDKLWAQ-WFASDCNBSA-N 282.412 4.777 30 10 CJEE CC(C)(C)c1nc(Cc2ccc(Cl)cc2)sc1C#N 82438888 USYUZNUBRQLANF-UHFFFAOYSA-N 290.819 4.556 30 10 CJEE CCOc1cc(C)c(C(=O)/C=C/c2cccs2)c(C)c1 83193616 ZJPXIJDJJXQYCF-BQYQJAHWSA-N 286.396 4.660 30 10 CJEE COc1cccc(N[C@]2(C#N)CCC[C@H](C(C)C)CC2)c1 86949192 XYCSVRIXDAQIPV-MAUKXSAKSA-N 286.419 4.606 30 10 CJEE C=C(C)[C@H](NCCC)C1(c2ccccc2)CCCCC1 92116731 KIQBODHYIMDQJT-SFHVURJKSA-N 271.448 4.833 30 10 CJEE Fc1ccc(OC[C@@H](CS)c2ccccc2)cc1Cl 94585384 QQZAHRYAQGVXBI-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE Fc1ccc(SC[C@@H](CS)c2ccccc2)cc1F 94588917 NPLJJYKOBPHCDJ-GFCCVEGCSA-N 296.407 4.771 30 10 CJEE CCC1(CC)CC(C#N)(Sc2ccc(C)cc2)C1 97331467 HOYKIORVSVZSCG-UHFFFAOYSA-N 259.418 4.950 30 10 CJEE CO/N=C(/C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 97758964 WMFTVONUUMZWGT-NVMNQCDNSA-N 299.317 4.804 30 10 CJEE CCCCCCC/C=C/C(=O)CCc1ccc(O)cc1 100296859 XBDRXFITAAAGKD-CMDGGOBGSA-N 274.404 4.811 30 10 CJEE CCCc1ccc(Nc2cc(C)ccc2C#N)cc1 104009838 OSPXTGKAFRWXSC-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CCCCCCCCOCCCC[C@@](C)(C#N)NC(C)C 106113097 OYKJRMSFRHHWOO-SFHVURJKSA-N 296.499 4.814 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc(F)c1 109716895 IEAXYJNOZOXPAG-MRXNPFEDSA-N 251.389 4.966 30 10 CJEE CCCCCCCO[C@H](CNC1CC1)c1ccccc1C 110067799 WMTAEHYKKGKUOW-LJQANCHMSA-N 289.463 4.775 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)ccc1OCC 110231940 MOXLCWLTSVCMDG-MRXNPFEDSA-N 263.425 4.754 30 10 CJEE CSc1cccc(Nc2ccc(C#N)c(Cl)c2)c1 110250793 HTLMXPKLQSBJOU-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(C(C)(C)C)cc2)c1 110260780 RKDNTCXCSQXESP-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CCCC1CCN([C@H]2C[C@@H](CCC)CC[C@@H]2C#N)CC1 110265402 LBFQOPOARWZAKV-KSZLIROESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN(CC)CCNCC 110325906 XINNCVKPFKMNRV-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc2c(c1)CCO2 115856279 QZUFBSSHDWFCLN-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCC[C@H](N)C(C)(C)N1CCCCC1 118145817 RQLNPUQKMQRKBQ-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCn1c(S)nnc1CCC 124882732 DPFPUXQQASIAKO-UHFFFAOYSA-N 283.485 4.660 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1ccncc1 125428837 CFHGBESSTQQLMJ-SFHVURJKSA-N 291.483 4.897 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(Cl)ccc1C 125798639 GCURBDLVPZLTFV-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@H]1C[C@H](C)CC[C@@H]1C(=O)O 126120248 YBCUNVQEUZSLAC-ILXRZTDVSA-N 254.414 4.874 30 10 CJEE CCCCCCCCCNc1ccc(F)cc1C#N 126373690 MLGVLAHOHHFGSK-UHFFFAOYSA-N 262.372 4.860 30 10 CJEE CC(C)(C)C1CCC([C@H](O)C2(C#N)CCCCC2)CC1 130332739 ZMCZLVDJEWLNMM-GPANFISMSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1nccn1CC 130571541 GEZWPTJJMUKCLN-QGZVFWFLSA-N 294.483 4.727 30 10 CJEE CCCCCCCCCCCC[C@@H](C[C@@H]1CCOC1)NN 130589400 MPRWKNVUJFWVQP-ROUUACIJSA-N 298.515 4.556 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC2CC2)c1 132345545 PRDJGQSAVXRKBT-QGZVFWFLSA-N 261.409 4.588 30 10 CJEE Cc1cc(C)cc([C@H](C)Nc2cc(C#N)cc(F)c2C)c1 132521465 IFFBWSFTWJAAML-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CCCC(CS)(CCC)CN1[C@@H](CC)CC[C@H]1C 136774447 YXHPPITZKCFQPQ-CABCVRRESA-N 271.514 4.766 30 10 CJEE CCCCCCCC[C@H](N)c1snnc1C(C)(C)C 140292050 XKBJYFWRUPRONO-LBPRGKRZSA-N 283.485 4.586 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 149827769 CSNRPKOJIVVDRO-CYBMUJFWSA-N 296.336 4.958 30 10 CJEE CCCCCCCC(=O)[C@H](OC)C1CCCCC1 161366063 MESPYSBAPKMEIK-MRXNPFEDSA-N 254.414 4.511 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)cc1)C(C)(C)C 162273776 BNJFAZLMCRDTET-HNNXBMFYSA-N 274.452 4.538 30 10 CJEE C#CC[C@H](CCCCCCCCCCC)NCC 166533129 PCXMAUJKQTWXLR-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1cccc(Br)c1C#N 168558804 YQURVVXWQCQWEP-MNOVXSKESA-N 295.224 4.557 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@H]1Nc1ccc(C#N)cc1 214838255 POPMTLXZFXMMSP-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE CCCCCCCCOCc1ccc(/C=C\C(=O)O)cc1 214847890 XPNSLLSHSKPHON-SEYXRHQNSA-N 290.403 4.662 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)s2)C1 218410720 NVRCUXSHBVAYPD-DDTOSNHZSA-N 283.824 4.545 30 10 CJEE C#CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 219721758 GKWCQFTXRVOGJM-BBWFWOEESA-N 277.496 4.867 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccccc2C2CC2)C1 227629784 DZOYYMZJPIGEND-MDASCCDHSA-N 283.415 4.708 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(CC)cn1)NC 228709053 LABNRHWCKFTKRC-KRWDZBQOSA-N 276.468 4.525 30 10 CJEE CCCCCCCC[C@@H](O)CCc1ccsc1 229524988 RBQUJRVAWTUTTR-OAHLLOKOSA-N 254.439 4.792 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CC)CC[C@@H]1CNCCC 229782739 TWCKVAPSBJQRBX-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE C=CCOc1ccc(CNc2cc(C)ccc2Cl)cc1 232230751 KZSOCZPTVQZCCE-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(F)c2ccccc12 233564065 MGEHTBAFLRBEJI-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE C=CCCCCC[C@@H](NC)C1(OCC)CCCCCC1 233735408 LSRSPAIZRHNSRW-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC[C@H](C)C2)c(Cl)c1 235657033 LBGVKDUXFBIEOG-XJKSGUPXSA-N 261.796 4.911 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cc(Cl)ccc2Cl)c1 235927366 PVWDAIGOFLPZLC-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C=CCCCCCNCc1ccc(C(F)(F)F)cc1 236147431 VZVVUTBKJYCOFJ-UHFFFAOYSA-N 271.326 4.541 30 10 CJEE C=CCCCCC[C@H](N)[C@H]1CCCc2sccc21 236302131 MIDJUEHJYAGYSO-ZFWWWQNUSA-N 263.450 4.632 30 10 CJEE CC(C)CS[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252435109 IBPXRZKPXWKCLO-IXDOHACOSA-N 273.445 4.852 30 10 CJEE C[C@H]1[C@H](C)CCC[C@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 252547024 LBLDCMHLJAPSHT-CTXUPJPISA-N 291.479 4.920 30 10 CJEE C[C@@]1(c2cc(Cl)ccc2Cl)CC[C@](C)(CC#N)O1 311151708 NHOZZVRMBYCWFL-KGLIPLIRSA-N 284.186 4.691 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1coc(C)n1 311537201 IFMGXHVGNFTEIK-OAHLLOKOSA-N 266.429 4.774 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CCOc3ccccc32)C1 312475287 GKWRTYZGKBPDTC-IIDMSEBBSA-N 269.388 4.663 30 10 CJEE C=C[C@H](C)C1(CNCCC)CCC(C(C)C)CC1 317798831 GSQFTHAOIHMGFS-GTPINHCMSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CCCCC1(F)F 381536398 QSGBKZBTQGUUNP-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@@H]1CC2CCC1CC2 381858920 IMOXANAFTDRPTC-DNDXXGFKSA-N 288.822 4.860 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ccc(Cl)cc2[N+](=O)[O-])C1 383812420 PYJONPJUWOUGNT-ABAIWWIYSA-N 292.766 4.610 30 10 CJEE Cc1ccc(N=C2N[C@H](C3CCCCC3)CS2)c(C)c1 386235922 XSVRSVIBBGQWCH-INIZCTEOSA-N 288.460 4.576 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1sccc1Cl 387205349 QUASNAZKALKSBH-NSHDSACASA-N 271.857 4.524 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1ccc(Cl)cc1Cl 395117796 WEAYTWVCPYCQHO-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C=C(COCC)[C@H](NCC)C1CCC(CCCC)CC1 395644144 MNIGNWGTZWUHNS-ABHNRTSZSA-N 281.484 4.554 30 10 CJEE CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC1(CS)CCCCCC1 403634314 GCAQIRGPVWEJDT-ZACQAIPSSA-N 295.536 4.625 30 10 CJEE CCCCCCC[C@]1(CNCCC)C[C@H](C)O[C@@H]1C 686451906 AMTQWNZABVNZLA-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](C)O[C@@H]1C 686480032 SXMWBINWTVAGOL-TVFCKZIOSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(F)c(Cl)c1 686692620 MEMSFOUMGDNDNO-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1CC2CCC1CC2 686695300 WDZLZUYINTXZCG-WZOJCFFYSA-N 275.480 4.765 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@H]2CCC(C)(C)O2)C1 688003990 GMFZOSWNTRTJRR-CQSZACIVSA-N 280.452 4.756 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@]12COC[C@@H]1C2 689162839 KTJFFUUWAQXAMJ-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)CC2CCCCC2)c1 689796804 ALCHFJKGYJREGG-CQSZACIVSA-N 256.393 4.638 30 10 CJEE C=C[C@@](C)(CNC(C)C)CC(C)(C)C(F)(F)CC 691036965 FTVYLOQNQGHMFG-CQSZACIVSA-N 261.400 4.638 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 691086422 FMNNHBLLSGZBOB-KYJSFNMBSA-N 270.420 4.568 30 10 CJEE CCc1ccc(N=C2N[C@H](C(C)C)CCS2)cc1Cl 691292321 KZZIZHJTOACRHX-AWEZNQCLSA-N 296.867 4.641 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(C(F)F)cc1 701234064 MOVMSQKPSMIWDI-UHFFFAOYSA-N 250.288 4.697 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCCC[C@@H]1C(C)C 701918451 HGVIUSGXZYMTCA-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CN[C@H](c1ccccc1)C1CC1 704023601 PFTWCSQSGKRZNH-QGZVFWFLSA-N 257.421 4.720 30 10 CJEE CC(C)CCC[C@@H](C#N)Nc1cccc(Br)c1 707341711 AWKDQZDRAUOPKO-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE C=C(Cl)C[C@H](NCC)C1CCC(CCC)CC1 710548115 LXOHSHSHPMPCJF-NRXISQOPSA-N 257.849 4.714 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(SCC)cc1 710585194 QQHBNDSKZREYRK-HNNXBMFYSA-N 283.868 4.982 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cccc(OCc2ccccc2)c1 715037182 QKMVNHISILOEQA-KXBFYZLASA-N 282.383 4.511 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCC3(CCC3)CO2)CC1 716307085 XYIRKPJVWQSQDS-HNNXBMFYSA-N 278.436 4.511 30 10 CJEE C=CCCC(C)(C)NCc1ccc(OCCCC)cc1 717909435 SILJRKLSIHHPJI-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CCCCCCCCCC[C@@H](O)CCc1cnc(N)s1 721337060 UWAHLWFRGXAYMY-CQSZACIVSA-N 298.496 4.550 30 10 CJEE CCCCCCCCCC[C@@]1(F)CC[C@H](CN)C1 724063189 YTKBNOXWLJAHCK-JKSUJKDBSA-N 257.437 4.984 30 10 CJEE C=C1CCC(C[C@H](Cc2c(F)cccc2Cl)NC)CC1 724590757 ZHROBQZMFLZJTJ-CQSZACIVSA-N 295.829 4.746 30 10 CJEE C=C1CCC(CC[C@H](CNCC)c2ccccc2)CC1 724616339 KKWSAHCHXYMUHN-LJQANCHMSA-N 271.448 4.906 30 10 CJEE CSc1ccc2c(C#N)c(C(F)(F)F)sc2c1 725291921 GYWMVJHVDLIAIW-UHFFFAOYSA-N 273.304 4.514 30 10 CJEE N#Cc1sc2cccc(C(F)(F)F)c2c1C(F)(F)F 725324699 QTCDRQBMZJXWTA-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Cc1ccc(C=Nc2ccc3ccccc3c2)s1 1084479893 RIOJGUJWMLNRJE-UHFFFAOYSA-N 251.354 4.960 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 1126663643 HLZHBATZEZYBSF-MRXNPFEDSA-N 293.410 4.919 30 10 CJEE C=C[C@H](CC)CC(=O)NC1CCC2(CCCCC2)CC1 1128014298 RQQNCTZQASTJLA-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CCCCCCCNC(=O)[C@H](C)CC1CCCCC1 1128848387 CTIVASLZVZZNCK-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCCCC(=O)N[C@@H](CC)c1cccc2ccccc12 1133631392 YKTVBLNDHJJWQU-SFHVURJKSA-N 281.399 4.763 30 10 CJEE C=CCCCCN1CC[C@@H](c2ccccc2)[C@H](CC)C1 1167602770 PQBQRNVUKJWGGR-IEBWSBKVSA-N 271.448 4.858 30 10 CJEE C=CC[C@H](Cc1ccccc1)Nc1nc2ccccc2s1 1186689307 RUMQDYHYNNPKII-OAHLLOKOSA-N 294.423 4.896 30 10 CJEE N#CCc1ccc(CSC2CCC(F)(F)CC2)cc1 1190227889 GTIIACRBCHVPTK-UHFFFAOYSA-N 281.371 4.564 30 10 CJEE C=C(C)CCN[C@H](Cc1ccccc1)c1ccccc1F 1192699133 RPBGYHXRBNJDBF-LJQANCHMSA-N 283.390 4.665 30 10 CJEE C=CC[C@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 1195947107 QNERZELIONOZHO-ZDUSSCGKSA-N 298.257 4.824 30 10 CJEE C=CCN(Cc1cccc2c1CCC2)CC1CCCCC1 1204922466 ABYXSFGFMZAOSH-UHFFFAOYSA-N 283.459 4.744 30 10 CJEE C#CCCCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 1264891635 KPQHQGWEVFMZLL-LJQANCHMSA-N 297.442 4.618 30 10 CJEE CC(C)c1ccc(C[C@H]2CCN(C[C@H](C)CCC#N)C2)cc1 1308662047 DTWZDFYCXHJPSV-IEBWSBKVSA-N 298.474 4.614 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2C[C@H]2c2ccccc2)CCCC1(C)C 1308724710 QABCJQFRSYFPKW-FHWLQOOXSA-N 283.459 4.857 30 10 CJEE C=CCC[C@@H](CC)NCc1cc(Br)ccc1C 1308864205 LZTCUVALBMHABZ-OAHLLOKOSA-N 296.252 4.592 30 10 CJEE C=CCn1c(SCCCC2CC2)nc2ccccc21 1458756295 FWLGGZROUJRLSM-UHFFFAOYSA-N 272.417 4.505 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(CCC)cc1 1460411560 RBCPVFZMINZQOT-RBUKOAKNSA-N 271.448 4.864 30 10 CJEE C=CCCCCCN1CCC(c2cccc(F)c2)CC1 1460729404 YTRRBWUIMRCQAS-UHFFFAOYSA-N 275.411 4.752 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1461457222 ZXJUPVHMASTADQ-FAJBIJEISA-N 299.458 4.535 30 10 CJEE C#C[C@@H](NCc1ccccc1-c1ccc(C)cc1C)C(C)C 1462213029 XGNDYSBHFMHYCR-OAQYLSRUSA-N 291.438 4.718 30 10 CJEE C=CC(C)(C)CCCNC(=O)NCCC1=CCCCCC1 1469726014 DPMOVYBUNDDBSU-UHFFFAOYSA-N 292.467 4.559 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1nccc(Cl)c1Cl 1473637695 KIOOTRXYJZAPOY-AAEUAGOBSA-N 299.245 4.613 30 10 CJEE C=C(CC)CN(C1CCC(C(C)(C)C)CC1)[C@H](CC)CO 1473672522 LYFGJTVHXCQFOH-LXPRWKDFSA-N 295.511 4.630 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cccc(C2CCCC2)c1 1474482626 AYKVRPXECANDIH-LJQANCHMSA-N 269.432 4.885 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1518399394 KDQJIRFZSTWSLI-POAQFYNOSA-N 297.442 4.517 30 10 CJEE C=C(CC)CNC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 1528514497 TXBCVVOKSZDBAW-UHFFFAOYSA-N 299.458 4.704 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@@H](CC)c1ccc(C)cc1 1533842379 ZCTSHPGKJJJFTH-MRXNPFEDSA-N 287.447 4.597 30 10 CJEE C=CC(C)(C)CCCNC(=O)/C=C(/CC)c1ccc(C)cc1 1534158405 IAEPYIZSMWFVFK-ICFOKQHNSA-N 299.458 4.897 30 10 CJEE C=CCCCCCN1CC[C@@H](c2ccc(CC)cc2)C1 1559870823 HOSXYPJCCGXMLK-LJQANCHMSA-N 271.448 4.785 30 10 CJEE C=CCC(C)(C)CNCc1cc(Cl)cc2cccnc12 1560484768 URMDZLDTVICIAW-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE Cc1cccc([C@@H]2CCCCN2C[C@@H](C)CCC#N)c1C 1560633784 FNPHSDUKAORGRK-KXBFYZLASA-N 284.447 4.770 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCOC2(CCCC2)C1 1560781822 BTDJLGWOYCBHPM-KRWDZBQOSA-N 285.431 4.709 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)[C@@H]1C[C@H]1c1cccs1 1621433998 HVEAIUZUZPXFJX-NQNKBUKLSA-N 289.488 4.965 30 10 CJEE C=CC[C@@H](C)Sc1nccn1-c1cccc(C)c1C 1640816603 XKXCKXICGIRRPU-CYBMUJFWSA-N 272.417 4.546 30 10 CJEE C=C(C)CCN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 1641856925 XKFPGVWGRVTULO-SJLPKXTDSA-N 257.421 4.734 30 10 CJEE C=CCCN(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1645119192 ZIUAZFKBGIOKHF-CVEARBPZSA-N 297.364 4.849 30 10 CJEE C=CCCCN1CCC[C@H]1c1ccccc1Br 1652697209 VOYXHWXFYYAJDI-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C=CC[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 1654347424 CHGKRBJIJUSTKF-HNNXBMFYSA-N 297.364 4.536 30 10 CJEE C=CC[C@@H](C)N(C)c1ccc2c(c1)oc1ccccc12 1654480908 CCTVHIRWFHZNNH-CYBMUJFWSA-N 265.356 4.987 30 10 CJEE C=CCCC(C)(C)NCc1nc(-c2cccs2)oc1C 1658342678 PBQREBOIZBKLCX-UHFFFAOYSA-N 290.432 4.546 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCC[C@@H]1C1CC1 1659451534 BKOUPXHHVBDMOI-RYQLBKOJSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 1673294478 DSBSKLHSSKXPMN-ULQDDVLXSA-N 294.483 4.589 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@@H]1CCC(C)C 1687502907 IBYWKPZJNDQBIT-MRXNPFEDSA-N 294.483 4.589 30 10 CJEE C=CCCOc1ccc(NC(=O)CC2CCCCC2)cc1 1860155124 HFOURLUUCZPXGJ-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C[C@@H]1C[C@@H]1CCC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 1876928542 KZGPTBRZKWGROE-JFGNBEQYSA-N 296.197 4.606 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCCC12CCC2)OC(C)(C)C 1876985034 SBUVNYSXZVAWII-RHSMWYFYSA-N 263.425 4.834 30 10 CJEE Cc1sc(Cl)cc1[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1882185468 PQZAYFWDAYXABI-MNOVXSKESA-N 298.644 4.660 30 10 CJEE CC#CCCCC[C@@]1(CNC(C)C)CCCC12CC2 1885236415 KEEOKHMCNNEPQV-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=C1CCC(C[C@H](O)c2c(Cl)cccc2OC)CC1 1886402116 IHUDOBJZDIGFMO-AWEZNQCLSA-N 280.795 4.519 30 10 CJEE CCCCCCCCN(C)c1cccc(Cl)c1C=O 1887061015 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GQTFMNFSIVPRSK-OQPBUACISA-N 277.166 4.552 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC(F)(F)CC)NC 1920797175 CLDATQHPAFVMMV-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE O=C[C@@]1(Cc2cccc(Cl)c2F)CCCC12CCC2 1921603879 HFELPLQOVAKGHR-INIZCTEOSA-N 280.770 4.561 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(C#N)cc1F 1931998313 JFDBZSWEWNZZHD-OAHLLOKOSA-N 296.389 4.748 30 10 CJEE C=CCCCCCNc1cccc(F)c1Br 1936802654 XEXOUOMGLCVTRT-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE Cc1cc(COc2cccc(Cl)c2C#N)ccc1Cl 1970659691 XJDHHSGGMZHWEN-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE N#Cc1cc(F)cc(CSC2CCC(F)(F)CC2)c1 1973300063 SHJDOUXJEYRNNS-UHFFFAOYSA-N 285.334 4.508 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(C)c(Cl)s1 1978976008 XCUGHQXHEZKXFP-LLVKDONJSA-N 257.830 4.846 30 10 CJEE C=CC1(Cc2c(F)ccc(Br)c2F)CCC1 1980006514 QRQNYZLSERFYQL-UHFFFAOYSA-N 287.147 4.626 30 10 CJEE O=C(C=C1CCCC1)c1cc(Cl)ccc1Cl 1983536185 RBNDOSUVEHCHLQ-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE CCCCCC#CCC(=O)c1ccc(Br)s1 1994207905 FZLQTBXCQGZLHN-UHFFFAOYSA-N 299.233 4.667 30 10 CJEE C=CCC[C@H](C)[C@@](N)(CC)c1cccc(Cl)c1 1996477117 IPEMPLZWMIGSGL-WFASDCNBSA-N 251.801 4.506 30 10 CJEE CCCC[C@](C)(C=O)Cc1ccc(Cl)c(Cl)c1 2000506519 BIQFVKIOKVHEQF-AWEZNQCLSA-N 273.203 4.931 30 10 CJEE CCC(F)(F)CC[C@]1(C#N)CCCC(F)(F)C1 2012765629 QHZRPUYGVPCKQG-SNVBAGLBSA-N 251.267 4.531 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CC[C@H]2C[C@H]2CC1 2028975560 LZCQILWWMYEWPN-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2031828291 RBRYQZUNKYPVHD-VVLHAWIVSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1[C@H](C)C1(F)F 2034236408 GWFCREAGNIBLEB-IHRRRGAJSA-N 262.384 4.779 30 10 CJEE CCCCCCCCC[C@@H](NC)c1nscc1C 2035786353 ZNZZPXQSPNLWHI-CQSZACIVSA-N 268.470 4.853 30 10 CJEE C=C(C[C@@H](CC1CCCC1)NCCC)[Si](C)(C)C 2038102234 CZQIWWFVZPLZHF-INIZCTEOSA-N 267.533 4.759 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC)CCCC(C)(C)CC1 2039383617 HUWYRYKNNUUYPQ-RDJZCZTQSA-N 251.458 4.785 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccsc1C(F)(F)F 2039889800 ZHUXUYCVPUNHFH-NSHDSACASA-N 277.355 4.774 30 10 CJEE C=CCC[C@H](C)Cc1nc(-c2ccccc2)cs1 2040525891 MBJONBITWUZUDM-ZDUSSCGKSA-N 257.402 4.955 30 10 CJEE C=CCCCCCC(=O)[C@@H]1CCCCCC1(F)F 2046374626 PDILYNHRLOEDOE-ZDUSSCGKSA-N 258.352 4.908 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1[C@H]2CCCCC[C@H]21 2048388257 LLTOVLAVYODTDT-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=CCCCCC[C@H](N)c1cc(F)c(F)cc1Cl 2049594066 TWXHUZXUJIIISN-AWEZNQCLSA-N 273.754 4.755 30 10 CJEE CCCCCCC[C@@H](CC1CC(C2CC2)C1)NC 2056650235 FIMGPUVONWPJNU-PREGVCBESA-N 251.458 4.761 30 10 CJEE C=C1CC(CNC(C)(C)C)(Cc2cscc2Cl)C1 2056761373 CWIPXGNPZQKVPT-UHFFFAOYSA-N 283.868 4.669 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H](F)C1CCCCC1 2057887683 JKXWYCKWJUHDLO-FVQBIDKESA-N 254.389 4.690 30 10 CJEE C=CCCCC[C@@H](NCC)[C@H](C)C1CCCCC1 2059110964 GGGNZDHWFSFKBC-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H]1C[C@H](C(F)(F)F)C[C@H](C)N1 2061166508 QAYAREBIXQUWMD-YNEHKIRRSA-N 265.363 4.666 30 10 CJEE O=C(C1=CCCCCCC1)C1(F)CC2(CCC2)C1 2064528613 WLZKTZAZUBWNPC-UHFFFAOYSA-N 250.357 4.509 30 10 CJEE C#Cc1cc(C(C)C)nn1[C@@H](C)c1cc(C)c(C)cc1C 2070082743 RQMCVRXARTUKIL-INIZCTEOSA-N 280.415 4.522 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]1CF 2075143574 HRNWODFWWULUJF-MRXNPFEDSA-N 257.437 4.951 30 10 CJEE CC#CCCCC[C@H](NC)c1c(Cl)cccc1Cl 2075369883 JBGJBGYSWKVGHC-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE Cc1cccc(-n2nc(C3CCCCC3)c(C#N)c2Cl)c1 2080273270 BZXONSRJLMFBRI-UHFFFAOYSA-N 299.805 4.754 30 10 CJEE CCCCCCCCN1CCc2sc(C)cc2C1 2085502575 QBRWJHZLLURDLI-UHFFFAOYSA-N 265.466 4.775 30 10 CJEE C=CCCCCCCNC1(C)CCC(F)(F)CC1 2085856412 MBJVZYNSJHNKAB-UHFFFAOYSA-N 259.384 4.681 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1C[C@](C)(F)C1 2086279552 VCVMYTGAHDGKNR-BZUAXINKSA-N 256.405 4.792 30 10 CJEE CCCCCCCCC[C@@H]1N[C@H]2CCCC[C@H]2CO1 2088186397 OCRXJGKOVCGRGP-YESZJQIVSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)c1ccsc1C 2091565418 UKDULGVUQMENBM-HOTGVXAUSA-N 283.481 4.558 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)CC(C)(C)C 2092175375 AOSVHXUMLNBYAF-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)CCC(C)C 2092188247 HLKUCRVMCVVWDG-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](O)CC1(COC)CCCCC1 2094205971 AUMALRFMSMWRDO-INIZCTEOSA-N 270.457 4.695 30 10 CJEE CCCCCCCCCCCCOCC1CC(=O)C1 2097701914 ZHKQUCCPSXCDBB-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnc(OC)s1 2098412262 WIXFFLTUCDREDO-ZDUSSCGKSA-N 284.469 4.682 30 10 CJEE C=C1CCC(C[C@@]2(N)CCCCC23CCCC3)CC1 2098444631 XLYVZCOWQPZIQZ-SFHVURJKSA-N 261.453 4.955 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2102102802 GALOWNFRYASEFN-KSWRQPAISA-N 263.469 4.639 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cccc(C2CC2)c1 2102111445 MQZPEAWTSAFNAS-KSSFIOAISA-N 257.421 4.817 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3CC=CCC3)n2)cc1 2103902292 UGGHSNJPHVKGFF-AWEZNQCLSA-N 266.369 4.505 30 10 CJEE CCCCCCCCCC[C@H](O)c1oc(C)nc1C 2104293467 YXBWVRKAWTWTGZ-HNNXBMFYSA-N 267.413 4.856 30 10 CJEE C[C@@H](CC1=CCCCC1)Nc1ccc(C#N)c(Cl)c1 2105123918 HTRZQPVKNFMUDE-LBPRGKRZSA-N 274.795 4.903 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cc(Cl)ccc1OC(F)F 2107724509 HNWYWWAMERPIHM-SECBINFHSA-N 288.721 4.726 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCC=CO1 2107918601 VRTRHSLVGMLGLJ-IRXDYDNUSA-N 267.457 4.798 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc2c1CCC2 2107999318 RFHMXLTYLRAMFE-GOSISDBHSA-N 257.421 4.572 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCCCCC1(F)F 2108639828 RRWDWIZDTFUYJS-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CCCC(F)(F)C2)CCC1 2111719594 OAACPLADJVUVDC-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE C=CC1(C[C@@H](NCC)C2CCC(CC)CC2)CCC1 2111721103 JTYJFAQFFWZHDF-OFLPRAFFSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@H](NCC)[C@H]2CCC[C@@H](CC)C2)CCC1 2111721520 LEJJXILMERHKIZ-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@H](C[C@H]2C[C@H]2C2CC2)NCCC)CCC1 2111723667 XCHUBJSJLAEACT-ULQDDVLXSA-N 261.453 4.537 30 10 CJEE CCCCCCCCO[C@@H]1C[C@](C)(CC)CC[C@H]1N 2114856951 ZSNPRUMDDHDJHK-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CCC(CC)(CS)CN1CCC[C@@H](C2CCCC2)C1 2114999404 ZAKJSNJIOSHSKL-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCCC12CC2 2117048013 YKDLBPPBSAQWRF-CUSZFKRNSA-N 258.405 4.518 30 10 CJEE CCC#CC[C@@]1(CNC(C)C)CCCC(C)(C)CC1 2117455839 ZQVRKWFMGWSTQM-GOSISDBHSA-N 263.469 4.765 30 10 CJEE C=CC1(C[C@H]2C[C@@H](NCCC)C[C@H](CC)C2)CCC1 2118789889 KELMFKXQZGJLLK-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CC(C)CCC[C@H](C)N=C1N[C@@H](c2cccs2)CS1 2119011920 KEWPVZYFINIZFQ-QWHCGFSZSA-N 296.505 4.696 30 10 CJEE N#C[C@]1(Cc2cscc2Cl)CCc2ccccc2C1 2120317976 SDOSIIKSVOKUDG-MRXNPFEDSA-N 287.815 4.643 30 10 CJEE C=CCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC1CC1 2123079920 IKVOMNKQYLGAGN-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2c(Cl)cccc2OC)CC1 2125219762 ONLVLFKJSRPXBM-LLVKDONJSA-N 278.779 4.668 30 10 CJEE C=C1CC([C@@H](Cc2ccc(C)cc2Cl)NCCC)C1 2125664981 FEZNVRFNHFIDJZ-QGZVFWFLSA-N 277.839 4.525 30 10 CJEE C=C([C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@@H]2C1)[Si](C)(C)C 2127039005 VSFKOVWFGFGTTP-YYIAUSFCSA-N 279.544 4.615 30 10 CJEE CC1(C)CCCC[C@]1(C#N)CCCOCC1CCC1 2128320948 GCQBFGMGTBGNGO-QGZVFWFLSA-N 263.425 4.693 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CC[C@@H]1OC)NC 2130330555 FUETVCYJOWMTLB-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCOCC[C@]1(C)CCNC1 2131893401 COBHCBNJCCWUHB-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE Cc1cccc(C#N)c1OCCC(C(C)C)C(C)C 2132703199 ZYPQLHQYKVRPFZ-UHFFFAOYSA-N 259.393 4.564 30 10 CJEE CN(CCCCCS)CC1CC(C)(C)CC(C)(C)C1 2138410787 CKFFMUBWCYPPKM-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CCCCCC#CC[C@@]1(C(=O)O)CCC[C@H](CC)C1 2138953453 YIMRYZDZKAIQRV-DOTOQJQBSA-N 264.409 4.631 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ccc(Cl)cc1 2138957362 VOHXDSQJPQNWON-QGZVFWFLSA-N 277.839 4.964 30 10 CJEE CCCCC#CC[C@H](NCC)c1cccc(Cl)c1F 2138958065 CYUHEZVXTIYVDU-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE CCCCCC#CC[C@H](NC)C1(C2CC2)CCCC1 2138960803 HXLWNEUQMLPTCY-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@@H](C[C@H](C)C(F)(F)F)NCCC 2138986029 UTAUZSLFRABADQ-KBPBESRZSA-N 277.374 4.527 30 10 CJEE CCCCCC#CC[C@@H](N)c1c(F)ccc(F)c1Cl 2139000424 HHMKXOJUMYAARD-CYBMUJFWSA-N 285.765 4.592 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)C(C)(C)CC 2142397939 QMTHTKNVYAAVEK-MRXNPFEDSA-N 268.441 4.659 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H](OC)C(C)C 2142436587 WJVGRYWYSUEQJS-SJORKVTESA-N 269.473 4.682 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1[C@@H](C)C1(F)F 2142443057 COFIWSIQVSPBCZ-QLFBSQMISA-N 274.395 4.945 30 10 CJEE C=CCCCCCCCCC[C@]1(N)[C@H]2[C@H]3C[C@@H]1C[C@H]32 2142445595 HMSITXAIERSKIK-MDMSPXHWSA-N 261.453 4.667 30 10 CJEE CCCCCCCC[C@H]1NC2(CCCCCC2)CO1 2142458358 WGGQKMXCDLUICR-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCC[C@@H](C(=O)[C@H](C#N)c1ccc(C)c(C)c1)C(C)C 2144875248 ZQIXZWYDQHASOF-IAGOWNOFSA-N 271.404 4.552 30 10 CJEE Cc1ccc([C@@H](O)C(=O)C2=CCCCCCC2)c(Cl)c1 2147141098 UDQWXTLRUHLYNG-QGZVFWFLSA-N 292.806 4.532 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](O)(C(C)C)C1CC1 2148583728 SBIYYHKYBWWGQA-ZWKOTPCHSA-N 283.500 4.512 30 10 CJEE CCCCCCCOc1cc(C[C@@H](N)CC)ccc1C 2149641919 JDAJXAVPEACAMD-KRWDZBQOSA-N 277.452 4.624 30 10 CJEE C=C([C@@H](Cc1cccc2ccccc12)NC)C(C)(C)C 2152943023 MVBXXMQFFOMBAZ-GOSISDBHSA-N 267.416 4.573 30 10 CJEE C=C([C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 2152944237 SMXZWHIUMYFFEA-MJBXVCDLSA-N 291.401 4.936 30 10 CJEE CCCCCCC[C@]1(CNCCC)C[C@@H](OC)C1(C)C 2156661346 HEWBBNOBNRUIEU-SJLPKXTDSA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OC)nc1C 2157053977 PAOCXYGYNFUSCJ-INIZCTEOSA-N 278.440 4.539 30 10 CJEE Cc1cc(C)nc(C[C@]2(C#N)CCCC(C)(C)CC2)c1 2157114697 XLEGPYHPDHEXBY-SFHVURJKSA-N 270.420 4.741 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccc(C)c(C)c1)NCCC 2158329128 UUQLLWIXWJMNBE-VQIMIIECSA-N 273.464 4.816 30 10 CJEE C=CCCC(C)(C)CNCC12CC3CC(CC(C3)C1)C2 2158407320 CZMZHFLHIIJVAS-UHFFFAOYSA-N 275.480 4.785 30 10 CJEE CC[C@H]1CCC[C@H](CNCCCCC(C)(C)C#N)CC1 2159516235 YTGPHWRLUJWHST-IRXDYDNUSA-N 278.484 4.903 30 10 CJEE N#Cc1ccc(NC2CC[Si]3(CCCC3)CC2)cc1F 2161322981 YXNASXFGGDRFPX-UHFFFAOYSA-N 288.442 4.514 30 10 CJEE C=CCOc1ccc([C@@H](CCC(C)C)NCCC)cc1 2164191312 NHXABHAHEMGPAQ-GOSISDBHSA-N 275.436 4.728 30 10 CJEE CCCC[C@](C#N)(CC)[C@]1(O)CCC[C@H](C(F)(F)F)C1 2164480048 NWRLXCUHGKOYJH-IHRRRGAJSA-N 291.357 4.580 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C1(O)CC2(CCCCCC2)C1 2164752248 KIQBLQLCBTUTNS-DOTOQJQBSA-N 275.436 4.572 30 10 CJEE C=C(C)CC[C@H](C)NCc1cccc(C(F)(F)F)c1F 2166840013 FWUUUQAIKMAONP-NSHDSACASA-N 289.316 4.679 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccnc(OC)c1 2166949690 VKNLRKICVDIYET-INIZCTEOSA-N 279.424 4.654 30 10 CJEE C=CC1(C[C@H](NCCC)c2c(C)oc(C)c2C)CCC1 2168028119 JQZIRVFEKVXQDS-INIZCTEOSA-N 275.436 4.992 30 10 CJEE C=CC1(C[C@@H](NCCC)c2coc(C(C)C)n2)CCC1 2168028394 MCOIAXKYHNLCDZ-CQSZACIVSA-N 276.424 4.585 30 10 CJEE CN(C1CCC2(CCCC2)CC1)[C@@H]1CCCC[C@H]1C#N 2171496913 BMUBLBQNSPSHPR-DOTOQJQBSA-N 274.452 4.504 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)C2(C)CCC2)C1 2172431862 GHJBDSSJCVVVLX-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE CCCCCCCCC(=O)C1(C(F)(F)F)CCOCC1 2173213246 WGXJVECXRUKFIG-UHFFFAOYSA-N 294.357 4.665 30 10 CJEE CC1=C[C@H](Nc2ccc(C#N)c3ccccc23)CCC1 2175720541 NLGHYSHCTPXBIE-OAHLLOKOSA-N 262.356 4.622 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CCN[C@@H]1C 2176270324 NAELTCMOJIGUOG-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CCc3ccccc3C2)C1 2178408978 DFFXKGGYCRRQRR-JTDSTZFVSA-N 267.416 4.902 30 10 CJEE CCCCCCCCCC[C@]1(O)COC2(CCCC2)C1 2178837179 HDCKVEDCECHADZ-QGZVFWFLSA-N 282.468 4.981 30 10 CJEE C=CCC(C)(C)CNCc1cc(F)ccc1C(F)(F)F 2181270371 UWOWHGDYYOVYPQ-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE CC(C)(C)C1CC(CNc2cc(Cl)c(F)cc2C#N)C1 2184454517 SCKHLOSPEHSENJ-UHFFFAOYSA-N 294.801 4.835 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCCOCC2CC2)C1 2184674462 BBVVRIQKFCSIHG-OIISXLGYSA-N 295.492 4.645 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C[C@@H]2C[C@@H]2C(F)(F)F)CC1 2185273326 NXIKDFMAWJKGNK-XQQFMLRXSA-N 288.353 4.917 30 10 CJEE CC[C@@H]1CC[C@@H](CNC(C)C)[C@H](CC#C[Si](C)(C)C)C1 2187468611 PYCXLFYFWRILJM-KURKYZTESA-N 293.571 4.698 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 2188840945 NXAMZJZVAKTGAN-HLLBOEOZSA-N 268.404 4.501 30 10 CJEE C[C@@H](CC[C@]1(C#N)CCc2ccccc2C1)C(F)(F)F 2191495360 FYFDWWPPTIBLRH-WFASDCNBSA-N 281.321 4.664 30 10 CJEE CCCCC[C@@H](CC)N(C)C[C@H](C#N)c1ccccc1 2193690838 LSUNQERLAKOZMR-ZWKOTPCHSA-N 272.436 4.584 30 10 CJEE C=CC[C@@H]1CCCCN1[C@H](c1ccccc1)C(F)(F)F 2195803910 LQLSZCXPMINLGQ-HUUCEWRRSA-N 283.337 4.721 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc(C(F)F)c1 2196170494 AIWVLXSOLCAJBA-MRXNPFEDSA-N 279.374 4.859 30 10 CJEE CCCCCCCN(C)c1cccc(F)c1[C@H](C)NC 2196735729 ZXOYJHGMQYCJFF-AWEZNQCLSA-N 280.431 4.513 30 10 CJEE C#CC[C@H](C[C@H](NCC)[C@H](CC(C)C)C(C)C)C1CC1 2196855810 DXWACDFTCBLJCW-QRVBRYPASA-N 277.496 4.722 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1ccccc1C1CC1 2197152828 VSPRXZVNYLSCPI-IBGZPJMESA-N 263.384 4.538 30 10 CJEE CCSc1cccc(N[C@@H](C(F)F)C2CCC2)c1C#N 2197919794 IOKZUTXJAZGQAW-CQSZACIVSA-N 296.386 4.516 30 10 CJEE CCCC#CC[C@@H](NCC)c1cccc2ccccc12 2203784874 HWMCNELEDSBCTB-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CCCCC#CC[C@H](NCCC)c1csc(CCC)n1 2203809572 HHANVMRXPPASTP-HNNXBMFYSA-N 292.492 4.720 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@@H]1CCCc2sccc21 2203821208 BNKYQLLRLAZAME-NVXWUHKLSA-N 289.488 4.730 30 10 CJEE CCCCCC#CC[C@@H](N)c1cc2cc(C)ccc2o1 2203829891 YKOHNXVUNAUYSW-MRXNPFEDSA-N 269.388 4.715 30 10 CJEE CCCCCCCCCCOC[C@H]1CNC[C@H]1CCC 2205760817 QQQCFQNWPKTTSS-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(F)c(COC)c1 2206283353 SOQSTVTUIMFSPQ-QGZVFWFLSA-N 281.415 4.723 30 10 CJEE C=CCCCCCCN1CCC[C@H]1c1cccc(C)n1 2206895074 QBAINOXRHSMPEQ-SFHVURJKSA-N 272.436 4.663 30 10 CJEE C=CCCCCCCCCN(C)Cc1cccc(C)n1 2207381224 GXAKNRZRUKZCDM-UHFFFAOYSA-N 274.452 4.739 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CCO[C@H]1CC 2207396133 JORVUHXGUIFLOU-BZSNNMDCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC(=O)C1CCC(CN)CC1 2207402809 FEBMYBJLLAXNRE-UHFFFAOYSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCCOC[C@@]1(N)CC[C@H](C)C1 2207412409 GLXPENDYPZFIPV-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC=C(C)C[C@H]1COCCN1 2207415571 SSVIRZQABLSVHC-SFHVURJKSA-N 279.468 4.618 30 10 CJEE C=CCCCCCCCCC[C@@]1(C(=O)O)CCCCO1 2207424380 DSTIUAFPPOACJT-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCCC[C@]1(C(=O)O)CCCCC1=O 2207427817 QKCXLALCWNURMY-KRWDZBQOSA-N 280.408 4.507 30 10 CJEE C=CCCCCCCCCCOC1(CN)CCCCC1 2207428770 BVHDWYWAQSODOA-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCCCCC[C@]1(C(=O)O)C[C@H]2C=C[C@H]1C2 2207435177 GMAAGXRBVPICTJ-BQFCYCMXSA-N 276.420 4.960 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@]12CCC[C@@H]1C2 2207442020 NAPVNGFKCZKKDE-SQNIBIBYSA-N 278.484 4.705 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C[C@@H]1C=CCCCC1 2207453211 KPDCGRXRGKJFRK-KURKYZTESA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC(C(C)C)C(C)C 2207454226 SYVDAPGSZOQFBV-KRWDZBQOSA-N 284.484 4.985 30 10 CJEE CCC#C[C@H](NCCC)c1cc(Cl)sc1Cl 2210383044 DLZZPNSKZSKITA-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C#CC[C@@H](CSCCCCCC1CC1)C1CC1 2214559130 WZLYPGVXSIKJFX-INIZCTEOSA-N 250.451 4.740 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(F)c(Cl)c1 2218189659 VFGVIPWDHWXWJB-KGYLQXTDSA-N 265.759 4.913 30 10 CJEE CN(CCCCCCS)CCCCCCC1CC1 2218672203 ZCFWVQCLEWRNHQ-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE C=CCCCCCCC[C@H](NC)c1csnc1C 2220085577 XDBFIUWVYFQGMR-HNNXBMFYSA-N 266.454 4.629 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncc(CC)s1 2220089718 SMGAEXIYLZLRAF-CQSZACIVSA-N 266.454 4.622 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CC12CCCC2 2220098057 RYLIPPRZRJRQQF-CVEARBPZSA-N 250.426 4.844 30 10 CJEE CN(CCCCCS)[C@H]1CCC[C@@H](C(C)(C)C)C1 2222251671 KINMTDPYORRUPO-CABCVRRESA-N 271.514 4.623 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@H](C)CC(C)(C)C 2223568842 KGADGYAGMYPFQG-RHSMWYFYSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCCCOC[C@@H](C)CNC(C)C 2225676216 LZLMCIKAZCSBAK-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@]1(C)C(F)F 2227281706 SNTVUHRILRPNJJ-GOEBONIOSA-N 273.411 4.736 30 10 CJEE C=CCCCCCCC[C@@]1(N)CC(C)(C)OC1(C)C 2227288076 OAGZJUUIXRHKRC-QGZVFWFLSA-N 267.457 4.578 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CC[C@@H]1OC 2227838939 UDLVIHIKKKGNDB-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=CCCCCCCCCNCc1ccc(CC)o1 2228038184 BKAQFAPKCFERPA-UHFFFAOYSA-N 263.425 4.848 30 10 CJEE C=CCCCCCCCN(C)Cc1ccc(CC)o1 2228041494 IPHCKYCZSMNQDL-UHFFFAOYSA-N 263.425 4.800 30 10 CJEE C=C(C)CC[C@@H](C)Nc1cc(C)c(Cl)cc1[N+](=O)[O-] 2228667583 DUOXZKPGQBIETL-LLVKDONJSA-N 282.771 4.713 30 10 CJEE C=CCCC(C)(C)NC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2230663480 SQTQZWHMEPHDSH-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@](C)(N)CC1(CCOC)CC1 2231900934 PMANGGRDKUQMBE-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](C)NCCCOC1CCC1 2231928940 JRXFAXAJTYJTQK-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE O=CC1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C[C@@H]2CC[C@H](C1)S2 2233721065 YWBBKRAPDNWFNA-RJCGMBPLSA-N 292.488 4.836 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@]1(C)CC[C@@H](C)C1(C)C 2233781485 HVIPHUDEENEXNF-GPMSIDNRSA-N 277.496 4.867 30 10 CJEE C=CCCCCCCCCOCCCNC1CCCC1 2234039117 YTQMCCKHBGNCJY-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCO[C@@H]1C(C)(C)C 2235514668 WRLQFMFURRMXKF-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCNCc1cnc(C(C)(C)C)o1 2235520133 WPUWHPXJROHBKM-UHFFFAOYSA-N 278.440 4.588 30 10 CJEE C=CCCCCCCCOc1ccc2c(c1)[C@@H](N)CC2 2235524367 PLFVQRIWIBQXQK-SFHVURJKSA-N 273.420 4.538 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1cccc(Cl)c1[N+](=O)[O-] 2236885620 VZUXVVYBTQJCEL-HNNXBMFYSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCO[C@](C)(C(=O)O)C1CCCC1 2239466382 AWPYUGMIKFWKEW-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCC(F)(F)[C@@H]1N 2239467954 LUTIHLCRSOYDFA-HUUCEWRRSA-N 291.426 4.659 30 10 CJEE C=C[C@H](CC)O[C@H]1CC(CC)(CC)CC[C@@H]1NCCC 2239488271 YSYFAWXYTPKMCI-IKGGRYGDSA-N 281.484 4.695 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCCC[C@@H]1CC 2239494387 CXEQGHFJAWMJQC-UXLLHSPISA-N 282.424 4.562 30 10 CJEE CCCCCCCCCOCc1ccccc1C(=O)O 2239544371 UFXYLDAIWYJKFQ-UHFFFAOYSA-N 278.392 4.652 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnc(OCC)s1 2239814815 VMHUIUCHTARQRW-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE C=C(C)CN(CC)c1ccc(CN[C@@H](C)CC)cc1Cl 2240067660 FAMDELOLJFFXGN-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE C=CC1(C[C@@H](N)Cc2ccc(C(C)(C)C)cc2)CCC1 2240135174 VXKIAOWTDXTCTC-KRWDZBQOSA-N 271.448 4.600 30 10 CJEE CCCCCCCC[C@@H](C)N(C[C@@H]1CCCN1)C(C)C 2240560503 HXYONAMWWTUAKA-MSOLQXFVSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCC)c1ccsc1 2240639894 KGINZNFFACMVME-SJORKVTESA-N 297.508 4.900 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C[C@@H](C)C(C)C)NC 2240654065 NKPTWPDIQVJWFG-KURKYZTESA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCC[C@H](CO)C1 2240666751 POSBYXWIOATYDR-KSZLIROESA-N 283.500 4.514 30 10 CJEE CCC(F)(F)CCSC[C@H](CS)C(C)(C)C 2243622484 UQGGUTHXOOAXID-JTQLQIEISA-N 270.454 4.747 30 10 CJEE C=CCCCSCc1c(Cl)nc(Cl)nc1Cl 2244559644 OMIAGOKFUQYBCF-UHFFFAOYSA-N 297.638 4.636 30 10 CJEE C=CCCCSC[C@@H](NCC)c1ccc(Cl)s1 2250022123 VCBXHQVPTSHGBA-LLVKDONJSA-N 289.897 4.752 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)CCC(C)(C)C 2256741330 HXGGVLOBWGUWSN-KRWDZBQOSA-N 250.426 4.560 30 10 CJEE Cc1cc([C@@H](O)CC=CC#CC(C)(C)C)sc1Cl 2256774331 PDHOMHULXNCOKK-LBPRGKRZSA-N 282.836 4.739 30 10 CJEE C=CCCSCc1nc(Cl)c2c(C)c(C)sc2n1 2259060526 OVFXBCNHNPDDSF-UHFFFAOYSA-N 298.864 4.771 30 10 CJEE C=C(C)CCCC[C@@]1(N)C[C@H]2CCC[C@@](F)(C2)C1 2259175834 IHCLQRIIBKVLHQ-ARFHVFGLSA-N 253.405 4.513 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCCC1(C)C 2259199453 RQUBSIHGZOUWLF-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H]1CF 2260464311 KKEPSGFPAVZHSG-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE C=C(C)CCCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C 2261451579 UZGZZLMYSZDOBS-CABCVRRESA-N 252.442 4.946 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@@H](C)CC 2262649283 WSOYNHZSHBWGKH-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](C(=O)O)C1(C)C 2263714344 WWLXSBKMWIFKEJ-CJNGLKHVSA-N 254.414 4.874 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1CCCC1 2268739376 PIUKVJKYVWCYCN-QGZVFWFLSA-N 261.453 4.541 30 10 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30 10 CJEE CC[C@](N)(CC#CC1CCCC1)CC1CCCCC1 2274166317 JAXKMMCRFFJJAE-SFHVURJKSA-N 261.453 4.648 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@@H](C)CCC 2275003607 RBLGEPRJIPUJGL-HOCLYGCPSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@H](OCCN)C1(CC)CCC1 2276576070 RGBVFNONQHALRY-INIZCTEOSA-N 269.473 4.661 30 10 CJEE SCCCCCCCOC[C@@H]1C[C@@H]1c1ccccc1 2277456154 RQNNGLJFVABLOI-DLBZAZTESA-N 278.461 4.687 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCC1(CS)CC(F)C1 2280374391 NHEIICXZIUGZPH-UHFFFAOYSA-N 296.451 4.719 30 10 CJEE Cc1ccc(OCC2(CS)CC(F)C2)c(C(C)(C)C)c1 2280374727 RCBHTUZYFDILJU-UHFFFAOYSA-N 296.451 4.719 30 10 CJEE CCCCC#CC[C@H](NCC)c1c(F)cc(C)cc1F 2283515010 ARRJDRZUBYZZIA-INIZCTEOSA-N 279.374 4.508 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@H](C)C(F)(F)F 2284163429 YGNOCQLLPDJCBN-UONOGXRCSA-N 289.385 4.549 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@]1(C)COC 2284713720 UBKDVCPNHKWKHK-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H](C)C1(C)C 2286848024 FVNVVPRIROHBOW-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCC[C@](N)(C#N)C1 2287094193 MZNJSMQZVDZXHU-IAGOWNOFSA-N 294.508 4.657 30 10 CJEE C=CCOc1ccccc1[C@@H](CCCCC(=C)C)NC 2287383484 NKSDXGFVBZYMIS-QGZVFWFLSA-N 273.420 4.648 30 10 CJEE C=CC1(CNc2cnc(C(F)(F)F)c(C)c2)CCCC1 2288164037 GPPCCIKJPQASCK-UHFFFAOYSA-N 284.325 4.567 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C1(C2CCC2)CC1 2289713361 OWEHPTGNMVOPJH-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCCN[C@H]1C[C@H](CC#CC2CCCC2)C[C@@H](CC)C1 2289874244 KYYLJVAWMHOVJY-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CC1CCC(CC#CC2CCCC2)(CNC2CC2)CC1 2289898445 DTFQTANPIBQHLX-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(C)CC[C@]1(C)N 2289922548 SMMBQZJVGCWLMZ-ROUUACIJSA-N 279.468 4.770 30 10 CJEE O=C(CC#CC1CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F 2289923953 FOEXAWASSLMURY-UONOGXRCSA-N 286.337 4.508 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)CCC1CC(C)C1 2290386223 UIDLLZTVNZCWNK-NKELODKYSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@]1(C)C[C@@H]1C 2290572545 XAPFGIOZUAAJSN-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)C1CC(C)C1 2290620807 NLQFMTFJLXEJHU-DQPZFDDXSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)c1cscc1C 2291124042 JYJJOIUVUHEIGZ-INIZCTEOSA-N 298.448 4.733 30 10 CJEE C=CCCCC[C@]1(OCC(=O)O)CCCCCC1(C)C 2292432314 ZUGYOMWUYMVYJR-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1(C)CC(C)C1 2292652499 KTJYTYTTZHMIAF-LXPRWKDFSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCN)CCC[C@@H](C(C)(C)C)C1 2293136699 VDGOVHAHIIHOGZ-JZXOWHBKSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(F)cc(Cl)c1 2293839747 KFZTXLDDIGMAQT-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE C=C1CCC(C[C@H](OCCN)c2csc(C)c2C)CC1 2294094125 BNRWTPMHHXQJMQ-KRWDZBQOSA-N 293.476 4.518 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1CCC 2294597848 OWYQMZCRNARCCM-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=C(C)CCO[C@@](C)(CCCCCCCCC)C(=O)O 2295584573 DEKHXCOTYKIQSR-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CO)C1CCC1 2295668304 GVIUKJXPJFWVIT-WMZOPIPTSA-N 283.500 4.514 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C1=CCCCC1 2295678818 JYYLOXNLPMBRSO-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCO[C@H]1CC 2295679042 LYIRYRSRAVXDJO-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(O)CC[C@@H](C)C1 2295691330 KPWJVXFSEAOQRT-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE CC1(C)CC(CS)(CSC2CC3(CCC3)C2)C1 2304517719 SETVERFYMTWNQV-UHFFFAOYSA-N 270.507 4.789 30 10 CJEE C=C1C[C@@H]1[C@@H](CCC(C(C)C)C(C)C)NCCC 2319253834 YCIVNIHOIAWHJL-DLBZAZTESA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1CCC[C@H](C)C1 2321095591 KEOFQWXTNZJFPD-HRCADAONSA-N 251.458 4.783 30 10 CJEE CC1(C)CC[C@H](CC[C@@]2(C=O)CCC(F)(F)C2)C1 2321577371 GUZKVVAFNWAFHY-TZMCWYRMSA-N 258.352 4.597 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 2329150241 WASXIKWVKMEUSI-ZJPYXAASSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332224393 BKFAELATVFVVLE-RZFLPCETSA-N 263.469 4.761 30 10 CJEE 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CCCCCCCCCCOC[C@@H]1CCCC[C@H]1CN 91367142 OOOFFZCOAATFEQ-ROUUACIJSA-N 283.500 4.909 30 10 CJEE Cc1cscc1-c1sc(C#N)c(N)c1-c1ccccc1 94249248 DNVJJBXJTNTABX-UHFFFAOYSA-N 296.420 4.906 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)C[C@H]1O[C@H]1C 107616967 QPNIGMCURMUOSJ-GQIGUUNPSA-N 296.410 4.855 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1c(C)cc(OCC)cc1C 107646250 DWIPHILUIYGLJO-CJNGLKHVSA-N 258.405 4.855 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccccc1OC 109715904 PIODUBFVAQCSHQ-MRXNPFEDSA-N 263.425 4.706 30 10 CJEE CCCCCCCCOc1ccc(C[C@H](C)N)cc1Cl 109765295 ZBLLESFSDDMHQX-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE CCCCCCCCOc1nc(C)cc(C)c1CNCC 110157895 FENDFVIHOGJKSH-UHFFFAOYSA-N 292.467 4.547 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCCC[C@@H]1O 110168511 URROAWYZTIKURF-ROUUACIJSA-N 283.500 4.800 30 10 CJEE N#Cc1ccc(OCC2CCCCC2)cc1C(F)(F)F 110263010 PPEONIFAWWFCFD-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE CCCCCCC[C@H]1CCc2ccccc2[C@H]1NC 110462164 SHFIZQAVELDPQO-WMZOPIPTSA-N 259.437 4.870 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1C(N)=S 112897036 MGFLUWRJSICYOM-MRXNPFEDSA-N 298.540 4.658 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)N(CC)CC 118142460 QXSCLYUMVYEKBD-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1Cc2ccccc21)NN 123811773 HAHLJHGCXADFTM-ROUUACIJSA-N 288.479 4.689 30 10 CJEE N#Cc1ccc(NCc2cc(F)ccc2Cl)cc1Cl 124031904 PXGYHVCSMUQDPU-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](CC)OC 124756443 FCEZRFWARGLMQV-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cccc(F)c1 125297665 KUJYQXIMCUSCKJ-KRWDZBQOSA-N 280.431 4.861 30 10 CJEE CCCCCCCCCC[C@@H](O)CCc1ccccn1 135560300 FIGZDHOKZRJZMC-GOSISDBHSA-N 277.452 4.906 30 10 CJEE CSc1cccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 136708973 MFGRVNYPSOAWDH-CHWSQXEVSA-N 289.444 4.874 30 10 CJEE CCCCCCCCCCCCOC[C@H](O)CC 139677848 MZKCQCAOCJKGNQ-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(F)cc1C 159887192 ZPCHDDVYPIFPBQ-KRWDZBQOSA-N 266.400 4.788 30 10 CJEE CCSc1cccc(NCC2C(C)(C)C2(C)C)c1C#N 167604196 PFIAXEKCCOVGHH-UHFFFAOYSA-N 288.460 4.764 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCCN2 220491225 KUOCOQPZIRBRKJ-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CC(C)(CCC#N)CN[C@@H](c1ccc(F)cc1)C(C)(C)C 229686670 AFRPYADLASYXGW-INIZCTEOSA-N 290.426 4.832 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 230773884 YREGBXIEWKDLKW-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H](OCC)C1CCCCC1 233764686 RVRJHJHIFVZCOJ-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)C 252778960 ZUOPXIXQUYIUOE-SQNIBIBYSA-N 277.496 4.867 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CO[C@H](C)C1 253048606 RVIFSEITBAPSAJ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE Cc1cc2c([C@@H](C)C#N)c3oc(C)cc3c(C)c2o1 260787827 YKGJVPFLXRUTQV-QMMMGPOBSA-N 253.301 4.731 30 10 CJEE C=CCCC(=O)N(CCCC)[C@H](CC)c1ccccc1 303624047 XLWWVRHIMMDNRG-QGZVFWFLSA-N 273.420 4.733 30 10 CJEE C=CCCCN[C@H](C)c1cccc(Cl)c1Cl 304211928 FISAKDKVMMRXBV-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 308058241 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CCCCCCCCCNC[C@@H]1CCC(C)(C)CO1 711308664 BLMBTQYUJGUIIV-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCC2)CS1)c1ccsc1 713195462 URLLMOFJSXWJBF-GFCCVEGCSA-N 294.489 4.595 30 10 CJEE CN(CC1(CS)CCCCC1)C1CCC2(CC1)CC2 723435260 ISJXPEBMQWAFMH-UHFFFAOYSA-N 281.509 4.521 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C1CC1)[C@H]1CCCOC1 723977513 CLXYZYPQYGPMGS-RYQLBKOJSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cc(C)cc(F)c2)CC1 724567948 NFCBEYLUPMYANR-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](O)c2csc(C)c2C)CC1 724576702 JHAZSRGHRVOYRR-HNNXBMFYSA-N 250.407 4.535 30 10 CJEE C=C1CCC(CC(=O)C(C)(C)c2ccccc2)CC1 724583979 OFGCYZPQNHOURJ-UHFFFAOYSA-N 256.389 4.670 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CCCc3ccccc32)CC1 724592249 KRSMDDCTSRVBOY-SFHVURJKSA-N 268.400 4.812 30 10 CJEE C=C1CCC(CC(=O)c2cccc(OC(F)F)c2)CC1 724609726 YRLHCFUJWYMVSZ-UHFFFAOYSA-N 280.314 4.607 30 10 CJEE C=C1CCC(C[C@H]2CCCC[C@@H]2CNC2CC2)CC1 724618429 QWDULELQZYOFCJ-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Oc1c(Cl)cccc1Cl 767044954 CZMRAPLKRAXVIU-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(OC2CCCC2)c1 1124805699 IPEGEADBGKWOTC-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE CCCCCCCCN1CCC[C@@H]1c1ccncc1 1201826552 ZQFKLRNTVHUQPK-QGZVFWFLSA-N 260.425 4.579 30 10 CJEE CCCCCCCCC[C@H](C)NC1CCN(CC)CC1 1258230188 RQXASIJWRBOETP-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE C=CCOc1cccc(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)c1 1264785096 SYXGZQILCLWVNC-IBGZPJMESA-N 299.414 4.717 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@@H](C)C1CCCC1)c1ccccc1 1275678254 QIYMVSLKYGUPPQ-QFBILLFUSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CCCCC 1280286299 QRBAXNNVPUBYHM-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=CCCCN(CC)Cc1ccc(Cl)c2cccnc12 1308133589 IQHFCQBZXVIAIS-UHFFFAOYSA-N 288.822 4.676 30 10 CJEE C=CC(C)(C)CCCN[C@H](CC)CCC(F)(F)F 1308928997 VYZOZLJAZLVFOA-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(Cl)sc2Cl)C1 1460360009 IUXHQWWWFAORQN-SNVBAGLBSA-N 290.259 4.843 30 10 CJEE C=C(CC)CN1CCC[C@H]1c1cccc2ccccc12 1473119067 COMTZHAHZBQCQI-IBGZPJMESA-N 265.400 4.943 30 10 CJEE C=CCC1(C(=O)N(C)C/C(C)=C/c2ccccc2)CCCC1 1522798561 KGXFYJCTAUZYND-BMRADRMJSA-N 297.442 4.685 30 10 CJEE C=CC(C)(C)CC(=O)N(CC(C)(C)C)CC(C)(C)C 1527718851 IKBFBQNAVFRVIJ-UHFFFAOYSA-N 267.457 4.510 30 10 CJEE C=COc1ccc(NC(=O)CC2(C=C)CCCCC2)cc1 1528000555 BDEDRZNTXBQEJI-UHFFFAOYSA-N 285.387 4.674 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CCCc1ccccc1Cl 1536778822 QPDPPRIZIQAHEC-CQSZACIVSA-N 293.838 4.524 30 10 CJEE C=C(C)CN[C@@H](c1oc2ccccc2c1C)C(C)C 1559701808 DGBWFUURQMBFCQ-MRXNPFEDSA-N 257.377 4.604 30 10 CJEE C=CCCCCCN1CC[C@H](c2ccc(CC)cc2)C1 1559870822 HOSXYPJCCGXMLK-IBGZPJMESA-N 271.448 4.785 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(C)c1)c1ccccc1 1583036928 JPGGCAWSMXIGCD-LJQANCHMSA-N 293.410 4.741 30 10 CJEE C=CCCCCCCCNC(=O)[C@]1(C)CC=C(C)CC1 1583104277 RUAFPEUIXARGRG-GOSISDBHSA-N 277.452 4.766 30 10 CJEE C#CCN(Cc1ccccc1)C(=O)C[C@H](C)CCCCCC 1587025540 MHGKAXFHEGKQCS-GOSISDBHSA-N 299.458 4.645 30 10 CJEE C#Cc1ccc(NC(=O)C[C@@H](CC)CCCC)c(Cl)c1 1616349616 HUQXWGQOVFLGJK-ZDUSSCGKSA-N 291.822 4.866 30 10 CJEE C=C(C)c1cccc(NC(=O)CCCc2ccc(C)cc2)c1 1618528521 LVHWDOSUSCFZSV-UHFFFAOYSA-N 293.410 4.990 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1c2ccccc2OC[C@H]1F 1621521640 GMPVRGKSBJKMTK-LESCRADOSA-N 291.410 4.573 30 10 CJEE C=CCCCCCCCNc1ncnc2sc(C)cc12 1642758608 SODRLRXNILHIQZ-UHFFFAOYSA-N 289.448 4.938 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@@H](C)C2)cc1Cl 1656035997 QUYDHAXSBYLQLN-UKRRQHHQSA-N 293.838 4.573 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(C)c(O)c(C)c1 1657974594 HCLLLSDUXQQGLR-UHFFFAOYSA-N 295.426 4.587 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)Cc1ccc(Cl)cc1 1658185979 ITNLHRUYEMGNSY-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE C#C[C@H]1CC[C@H](NCc2ccc(-c3ccc(C)cc3)o2)CC1 1658537603 UQDCTGWAEYCOHZ-SAABIXHNSA-N 293.410 4.537 30 10 CJEE C=CCCCCC[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 1659845257 UNBDWCPQWSAIEW-HNNXBMFYSA-N 290.407 4.518 30 10 CJEE CC#CCNC(=O)Nc1cccc([C@@H]2CCCC(C)(C)C2)c1 1665236193 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2077719086 IPZXQZONSYQZSO-FVQBIDKESA-N 254.389 4.690 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2C[C@](C)(F)C2)CC1 2077810398 PUZHACFXFZLBNV-OIBGERBOSA-N 251.389 4.871 30 10 CJEE CCCCCCCN(C)C[C@@H]1C[C@@H]1C1CCCC1 2079570905 QYLQEAAMCMYTIP-DLBZAZTESA-N 251.458 4.715 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](CCC)CC[C@H]1O 2083406741 XHFPKNMRROTWDK-GVDBMIGSSA-N 250.426 4.538 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H](C)CC(C)C 2083434691 UKBVCIQJBVFWJB-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C=CCCCCCC[C@H]1CCC(F)(F)CCC1=O 2085842254 OXGCNLCLSNHOBO-ZDUSSCGKSA-N 258.352 4.908 30 10 CJEE C=CCCCCCC[C@]1(CNCC)CCC[C@H]1C 2085848585 BKWGJEJOQJMZFK-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCNCC1(CC(F)F)CCC1 2085849735 NXQFYJQACYXJEN-UHFFFAOYSA-N 259.384 4.538 30 10 CJEE C=CCCCCCC[C@]1(CNCC)CCC1(C)C 2085850220 SUCQBGFEQMFQCG-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCC[C@]1(O)CCC2(CC2)C1 2086281548 WXWOFJMDEZOAAK-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE C=C1CCC(CC(=O)c2ccccc2CCC)CC1 2088228863 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PHCDNGDCDNQHGA-KRWDZBQOSA-N 277.839 4.749 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H]1CCCC(F)(F)CC1 2099607147 LBMLHQPTONMCEL-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C#CCC[C@]1(CNC(C)(C)C)CCCC(C)(C)CC1 2100870245 GFYRWILPKGTSHC-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CC[C@H]1CCC[C@H](N(C)CCCC(C)(C)C#N)CC1 2103265155 LISINHINXIQCKC-HOTGVXAUSA-N 264.457 4.607 30 10 CJEE CCCCCCCCC[C@@H](NC)c1oc(C)nc1C 2104297673 WYBXMNLHUNNYAX-OAHLLOKOSA-N 266.429 4.693 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(OC)c(Cl)c1 2107077097 QRPJZHGHDCTBHN-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE CCCC[C@](C)(C#N)[C@]1(O)CCC[C@H](CCC)CC1 2108206757 ODFLBNPNAKKAET-BBWFWOEESA-N 265.441 4.818 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cccc(SC)c1 2108209779 AFOXHTIKAWYTTD-JKSUJKDBSA-N 277.433 4.552 30 10 CJEE Cc1cc(CN(C)c2c(C)cccc2C#N)sc1Cl 2109076895 PLGCOJOSGSUYFK-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE C=CC1(C[C@H](NCC)C2(CC(F)F)CCC2)CCC1 2111711604 PFPLHGSGWCVXKV-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCC[C@H](N)c1c(Cl)ncn1C 2111901667 YESLXWSNAABFPZ-ZDUSSCGKSA-N 285.863 4.604 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1cnc(CCC)s1 2114349835 NAFCVAVOYULCEA-XJKSGUPXSA-N 280.481 4.739 30 10 CJEE CCCCCCCCC(=O)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2114417196 FWKBWBFHEOZJEC-SNPRPXQTSA-N 272.379 4.988 30 10 CJEE C=C(C[C@@H](NCCC)[C@@H]1CCCC(C)(C)CC1)OC 2114568847 WJNKEGZKCITAIM-HZPDHXFCSA-N 267.457 4.511 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)C1CCCCCC1 2116849572 UMFNECCSNPTDAT-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)c1snc2ccccc12 2117026698 XABXKBSZICTRLR-MRXNPFEDSA-N 270.401 4.658 30 10 CJEE CC1(C)CCCC[C@]1(CN)CC#CC1CCCCC1 2117034166 UPSDMDFVIDRBRQ-GOSISDBHSA-N 261.453 4.506 30 10 CJEE O=C[C@]1(Cc2c(F)cccc2Cl)CCCCC12CC2 2117040796 GSNLYRMTFVUNEJ-MRXNPFEDSA-N 280.770 4.561 30 10 CJEE CCC#CCC1(CNC(C)(C)C)CCC(CC)CC1 2117455045 QGIUSTWGSYEVNK-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCO[C@H](C)C[C@@H]1CCCN1 2119686471 KJEHJTLZGZUEES-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCCNc1cc(Cl)c(C#N)cc1F 2120892281 ZKQONKAQLGOWGC-UHFFFAOYSA-N 280.774 4.899 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@H]1SC1CCC1 2121623756 NPYDYPJFSJAHIY-YQQAZPJKSA-N 271.429 4.748 30 10 CJEE C=CCCCC[C@@H](NC)c1ccccc1C(F)(F)F 2123082291 CNEIMFIVICHKDQ-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc(OC)cc1Cl 2123085452 OQWQEAZPCHSCQH-MRXNPFEDSA-N 281.827 4.746 30 10 CJEE CCCCCCCCC[C@H](NN)C1=CC[C@@H](C)CC1 2124844033 QWTGOLOXNIUAPV-WBVHZDCISA-N 266.473 4.705 30 10 CJEE C=C(F)C[C@H](NCCC)[C@@H](c1ccccc1)C(C)C 2126108752 GQXGORUUUSWGHF-DLBZAZTESA-N 263.400 4.668 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2127038098 SJORBBBWOZJTMK-QXDIGNSFSA-N 263.469 4.783 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)C1CC2(C1)CC(C)(C)C2 2127318219 BCVCVKPKOHNEPE-ZBFHGGJFSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)C[C@H]1N 2129656966 RGASFVKBGASRPJ-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE CC1(C)CC[C@]1(C#N)C[C@@H]1CCCc2ccccc21 2131991967 LOYJBMVQKOKLRF-MAUKXSAKSA-N 253.389 4.827 30 10 CJEE C=CCC[C@@H](Cc1cccc(C(F)F)c1)NCCC 2132862910 MIXGNPZXMMUANC-HNNXBMFYSA-N 267.363 4.501 30 10 CJEE N#C[C@@]1(CC2(C(F)(F)F)CCC2)CCCC12CCC2 2134729293 FJFZOJVXKUNDSY-AWEZNQCLSA-N 271.326 4.973 30 10 CJEE CCCCCCC[C@H](O)c1cc(C(C)C)ccc1N 2136886970 UTQYODNRJGOBAL-KRWDZBQOSA-N 263.425 4.786 30 10 CJEE CCCCCC#CC[C@H](O)C[C@@H](C)c1ccccc1 2138946972 JTFNZAHDZLVVKF-AEFFLSMTSA-N 258.405 4.515 30 10 CJEE CCCCC#CCSc1cccc([C@@H](C)NCC)c1 2138953908 DZOQTFJCZBWLOY-OAHLLOKOSA-N 275.461 4.643 30 10 CJEE CCCCC#CC[C@H](NCC)c1csc(C(C)C)n1 2138958703 KCLCXTDJHLFTMA-AWEZNQCLSA-N 278.465 4.501 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CCCC2(CC2)C1 2138961631 ACNKKJFHSRCXSU-SJORKVTESA-N 261.453 4.519 30 10 CJEE O=C(C1=CCCCCCC1)C1C2(CCC2)C12CCC2 2139136943 SQYSTJICJYARFP-UHFFFAOYSA-N 258.405 4.807 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(C)c(Cl)cc21 2141647446 BUCIVSLEKYFQMY-UHFFFAOYSA-N 294.851 4.889 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(C)c(O)c(C)c1 2141906654 WQWULDSLHZTXGK-MRXNPFEDSA-N 261.409 4.535 30 10 CJEE C=CCCCCCCC(=O)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2141917149 SDHMPJUSGPGNFN-SNPRPXQTSA-N 270.363 4.764 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1C[C@H]1C(F)F 2142390996 HTNGMRDSSXETCS-HUUCEWRRSA-N 273.411 4.736 30 10 CJEE C=CCCCCCCCCC[C@@H]1CC(=O)C[C@@H]1OC 2142392560 HVGCHEIINCUELH-WBVHZDCISA-N 266.425 4.677 30 10 CJEE C=CCCCCCC(=O)[C@H](O)CCCCCCCC 2142454510 BOEUDKDGQMJVOE-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@@H](O)[C@]1(C#N)CCC12CCC2 2142464980 UTBGIPCXYCSYRG-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CC(C)N[C@@](C#N)(CCCSCC1CCCC1)C(C)C 2144106958 DFXPLDJVCKUHRX-QGZVFWFLSA-N 296.524 4.606 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@](C)(O)CC1CCC1 2148584018 ULURBUWNLJSEED-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](N)[C@@H](O)c1csc2ccccc12 2148587654 MCRXRXZJSDSILR-WBVHZDCISA-N 291.460 4.623 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@](C)(O)C1CC1 2148600352 KRRLBUXKYTXFMH-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@H]1CCC[C@H](C(F)(F)F)O1 2149429171 YNAJAGRDDJOBAZ-YRGRVCCFSA-N 289.341 4.597 30 10 CJEE FC(F)(F)c1cccc(NCC#CC2CCCCC2)c1 2149855197 JUBVOXFSXCTMPT-UHFFFAOYSA-N 281.321 4.701 30 10 CJEE Cc1c(C#N)c(N)n(C2CCCCCCCCC2)c1C 2153450217 ZXDGGHZGPDCAEX-UHFFFAOYSA-N 273.424 4.624 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)CC1CC(C)(C)C1 2155529045 HKUUGRWQFOQBSH-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C[C@@H]1CNC(=NC[C@H]2CCC(C)(C)C2)SC1 2156326176 KZAXFPOTFMNNOP-UONOGXRCSA-N 296.524 4.558 30 10 CJEE CC(C)[C@H]1CCSC(=NC[C@@H]2CCCC(C)(C)CC2)N1 2157114349 WMBYRVAHVSLMQC-HUUCEWRRSA-N 296.524 4.700 30 10 CJEE CC(C)c1nsc(CC2(C#N)CCC(C(C)C)CC2)n1 2158908984 JUZMXLWRVJORTP-UHFFFAOYSA-N 291.464 4.560 30 10 CJEE CC1(C)CCSC(=N[C@H]2CCC[C@H](C(C)(C)C)CC2)N1 2159435950 JUTHVZSQUCMOEM-KBPBESRZSA-N 296.524 4.843 30 10 CJEE C=C1CC(CNCC(C)C)([C@@H]2CCC3(CCCC3)C2)C1 2159584346 OKRVJUDWZGNAGD-QGZVFWFLSA-N 275.480 4.929 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CC(C)=C[C@@H](C)C1 2164211734 HRDBVHLNQGFPRP-BPQIPLTHSA-N 275.480 4.787 30 10 CJEE CCCC[C@](C#N)(CC)c1cc(C)c(C)cc1[N+](=O)[O-] 2164476089 VGTZAAZUPGVDFZ-INIZCTEOSA-N 274.364 4.573 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc3ncccc3s2)CC1 2164959198 YZSGBNCFULEKQV-AWEZNQCLSA-N 286.444 4.693 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC1(CF)CCC1 2165560779 LXWUNXJSEIYMSB-OAHLLOKOSA-N 286.431 4.587 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@@H](C(F)F)C(C)(C)C 2167680218 RDJFNGBSINZNLR-KGLIPLIRSA-N 287.438 4.722 30 10 CJEE CCCCCCCCCCNCC[C@H]1C[C@H]2CC[C@H]1O2 2168111920 RMVNTWDKQULHSJ-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE C#CCCCC[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC 2173466501 NWAWTVBSSQAXAO-WDSOQIARSA-N 271.448 4.598 30 10 CJEE CC(C)(C#N)CCCCNC[C@@H]1CCCCC12CCC2 2173705912 PDOYZSKUXNRSKV-INIZCTEOSA-N 276.468 4.657 30 10 CJEE CCC[C@@H]1CCSC(=NC[C@@H]2CCCCC23CCC3)N1 2173707123 QIBJIMMGNYNUGM-LSDHHAIUSA-N 294.508 4.598 30 10 CJEE C=CCCC[C@H](C)NCc1cc(F)ccc1C(F)(F)F 2181268153 UFZAFDQKRVPGJJ-NSHDSACASA-N 289.316 4.679 30 10 CJEE CCC(CC)(CC)[C@H](O)C(=O)C1=CC[C@H](C(C)C)CC1 2181673697 PPCXAUSLDDYQDF-WMLDXEAASA-N 280.452 4.515 30 10 CJEE 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10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cccc(F)c1C 2344377714 TWYWOCNKKUHNEZ-SJORKVTESA-N 263.400 4.777 30 10 CJEE CCCCCCC[C@](C)(Oc1ccsc1C)C(=O)O 2352249949 QTNLSUBFRUWDMU-HNNXBMFYSA-N 284.421 4.639 30 10 CJEE CC(C)C[C@H](CS)CN1CC[C@@]12CCCC(C)(C)C2 2353839037 CNAUBBPKPROXKA-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136512 GVGYMOSDWYDROJ-HPFXQQBRSA-N 275.436 4.692 30 10 CJEE C=CCC(CC=C)SCc1ccc([C@H](C)C(=O)O)cc1 2360200057 FBECLINIZBXQFM-ZDUSSCGKSA-N 290.428 4.629 30 10 CJEE CCCCC#CCCCCCCO[C@@H]1CCCCO1 5510179 GLOAELLLVHZEDW-KRWDZBQOSA-N 266.425 4.674 30 10 CJEE O=[N+]([O-])c1cccc(/N=C/c2cc3sccc3s2)c1 6997995 LKMVKFNCIRCPEC-RIYZIHGNSA-N 288.353 4.622 30 10 CJEE CC(C)c1ccc(C[C@@](C)(C=O)c2ccccc2)cc1 11797434 HYRMXAUGHSCLKC-IBGZPJMESA-N 266.384 4.509 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14458325 YMNXTDGKDQRFEI-LNLFQRSKSA-N 286.378 4.693 30 10 CJEE N#C[C@@H](C(=O)CCCc1ccccc1)c1cccc(Cl)c1 36451475 JDIFBDHSMZPYOH-QGZVFWFLSA-N 297.785 4.539 30 10 CJEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1F 36922286 JTVNBFYAFVMZAB-ZDUSSCGKSA-N 282.362 4.800 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(C#N)Nc1ccccc1 37935259 MBVHFAGSBKMMFN-DOTOQJQBSA-N 256.393 4.597 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 37937001 OXWFGJBYPAFXFW-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1c(F)cccc1Cl 37937308 UGUAGKVZCZLNNC-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccccc2Cl)cc1C 37938340 YAUFWNDFECODSP-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#Cc1cc(N)ccc1Oc1ccc(Cl)c2ccccc12 41021617 UVBAPRZIPZSYTI-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE C[C@@H]1CCC[C@H](Sc2c(C#N)cnc3ccccc23)C1 54690720 PJATZUMQTFUFMI-OCCSQVGLSA-N 282.412 4.777 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccc(C)cc3[nH]2)C1 61440255 SMDYBYMOVTUTDJ-HEHGZKQESA-N 299.443 4.682 30 10 CJEE Cc1ccc(Sc2cccc(Cl)c2C#N)c(C)c1 70138435 BYOGKJXPKYXZHK-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 71159260 XIDQMLOUELDQPD-PBHICJAKSA-N 270.420 4.868 30 10 CJEE C=CCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 71277012 CUJARUOTZUFZIP-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE CC(C)c1ccccc1NC[C@H](C#N)c1ccccc1 80748413 XNCBITSUYDOXLD-INIZCTEOSA-N 264.372 4.529 30 10 CJEE CC(C)(C)c1nc(-c2cccs2)sc1CS 82440562 DFUGNGZZBGYPEC-UHFFFAOYSA-N 269.460 4.599 30 10 CJEE Cc1ccc(CC2(C#N)CCC(C)(C)CC2)cc1C 87940045 PQEGADYONFXHHU-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE N#CC1(Sc2cccc(Cl)c2)CC2(CCC2)C1 90238286 IGXGDXADHLMFMX-UHFFFAOYSA-N 263.793 4.659 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@@H]1CN 91367036 SHIZPSJYSAWTFV-IAGOWNOFSA-N 269.473 4.519 30 10 CJEE CCCC[C@H](CC)/C(=N\O)[C@H](O)[C@@H](CC)CCCC 100050539 SLCANKHLTWZHRV-SXFHDUHSSA-N 271.445 4.610 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc2c(s1)CCCC2 104438974 CEHUGPGWPKCLLJ-MRXNPFEDSA-N 280.481 4.556 30 10 CJEE CCCCCCCOc1ccc([C@@H](N)CCC)cc1 106149992 JYSRMHPOBQGMJZ-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCCCCC)cc1 107575677 XAMPNXGPBRMJJE-MRXNPFEDSA-N 258.405 4.848 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(Br)ccc1F 107587764 FDRWUQRINITZBK-MNOVXSKESA-N 283.184 4.741 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC3(CCCC3)CC2)C1 110265678 UWWSRJZDUDJNJU-RCCFBDPRSA-N 288.479 4.751 30 10 CJEE C[C@H]1CCC[C@H](Sc2cccc(Cl)c2C#N)C1 110354383 HFAYGUOCVTYGRB-QWRGUYRKSA-N 265.809 4.882 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@@H]1C(C)C 114071423 NBBJOPNMDBOLRU-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(F)c(C)c1 114974500 ZMQUKAKYQAANDK-OAHLLOKOSA-N 252.373 4.836 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc2c(c1)COC2 115857268 VMEZDRLNLMEYMY-GOSISDBHSA-N 275.436 4.728 30 10 CJEE CCCCCCCC[C@@H](NC)C1(N(C)C)CCCCC1 118181343 YNTHGMYKFUGWAQ-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE Cc1ccc(Oc2ccc(N)c(C#N)c2)c(C(C)(C)C)c1 127708309 KMPIFROAOCCOBX-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE Cc1cc(N[C@@H](c2cccs2)C(C)C)ccc1C#N 132645770 CQZACGLLMBSCFS-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE C=C(CNc1ccc(N(CC)CC)cc1)c1ccccc1 148038606 HZLPPKDRZVHVSI-UHFFFAOYSA-N 280.415 4.658 30 10 CJEE C=CCCSCc1nc(-c2ccsc2)oc1C 151953091 BMXBCQFLMLFTTJ-UHFFFAOYSA-N 265.403 4.521 30 10 CJEE C=CCCC[C@@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C 155996081 URQZBLCYZMJAMQ-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE Cc1ccc2c(c1)C[C@H](CC1(C#N)CCCCCCC1)O2 156748895 HCHCQJJHIIYXDG-QGZVFWFLSA-N 283.415 4.943 30 10 CJEE CCCCCCCCOc1cccc(NCC)c1[N+](=O)[O-] 158015067 MVHFDQXNWPSIEG-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CC#CCCN[C@@H](c1cccs1)c1ccc(Cl)s1 158309894 HRKFOLZCZXUJNQ-AWEZNQCLSA-N 295.860 4.555 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 158339187 YFAVJRQHRPCPKR-CYBMUJFWSA-N 284.325 4.958 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] 159148037 IHVFSJFAQXFWOE-AWEZNQCLSA-N 278.396 4.606 30 10 CJEE Cc1ccc(Cl)cc1OCc1ccc(C#N)cc1Cl 162994114 BWIKNHIHGLNQFQ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccccc1OC(F)F 167748203 WOXHXBKGGWEFSN-CQSZACIVSA-N 283.362 4.685 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)ccc1F 168330749 RZRMGOLDPYXIQC-MRXNPFEDSA-N 252.373 4.918 30 10 CJEE C=CCCCS[C@H](C)C(=O)Nc1c(C)cccc1CC 172215645 FDJVMHRFAMBYKW-CQSZACIVSA-N 291.460 4.584 30 10 CJEE CCCCCCCCCCNC(=O)c1sccc1C 196098270 UVDPWJPMVSXRDH-UHFFFAOYSA-N 281.465 4.927 30 10 CJEE CCCCCCC[C@@H](C)N1CCC[C@@H](C(C)(C)C(=O)O)C1 223500566 WHYZSIPJXWEMRF-HZPDHXFCSA-N 297.483 4.558 30 10 CJEE CCCCCCCCN[C@H]1c2ccccc2OC[C@H]1C 228177031 GSHSJOLXGOSGGG-CRAIPNDOSA-N 275.436 4.706 30 10 CJEE CCCCCCCCC[C@@H](N)CCC[C@@H]1CCCO1 229498581 INIMGVMLQSGWDJ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CC(C)(C#N)CCCCSc1ccc(F)c(F)c1 232524218 QBLSPYASWHQKIJ-UHFFFAOYSA-N 269.360 4.777 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(O)cc1F 232937936 AHLGYJCYVKAVKW-CYBMUJFWSA-N 267.388 4.542 30 10 CJEE C=CCCCCC[C@H](N)CSc1ccccc1C 235790174 RIXWXULEUNMACP-HNNXBMFYSA-N 263.450 4.551 30 10 CJEE ON=Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1 250255510 QCUVFUBZBAZXIF-UHFFFAOYSA-N 282.126 4.594 30 10 CJEE CCCCCCC[C@](C)(CN)N1CC[C@@H]2CCCC[C@H]2C1 252373254 PNYXCHUKSWMTIT-GBESFXJTSA-N 294.527 4.576 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 308054846 LVNVJIVGVGJQEN-SWLSCSKDSA-N 277.795 4.589 30 10 CJEE CCCCCCCC[C@@H](CC1(C)CCCC1)NN 311209278 KNTGRZUIKAQJCD-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE CC1(C)CCC([C@@H](C#N)Nc2ccc(Cl)cc2)CC1 311614656 WFRRBCWOWSJIOP-OAHLLOKOSA-N 276.811 4.860 30 10 CJEE C=CCCCCCCNCc1nc(CCCC)[nH]c1Cl 312409196 ISWPYQIHSMEAKQ-UHFFFAOYSA-N 297.874 4.632 30 10 CJEE C[C@@H]([C@H](O)C1(C#N)CCC(C(C)(C)C)CC1)C(C)(C)C 312837597 KICGVIFPLSHGEA-CQDIZWNASA-N 279.468 4.776 30 10 CJEE C=CCCCCCCNCc1cccc2c1OC(C)(C)C2 315037309 ZDZZQRRZULQXOD-UHFFFAOYSA-N 287.447 4.626 30 10 CJEE CCC1CCC(C=O)(Cc2cccc(F)c2Cl)CC1 316833735 LUPTZGFWZIERFG-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCC1(F)F)NC 381871465 JOSYHJOAQQXUMS-UONOGXRCSA-N 261.400 4.760 30 10 CJEE C=CCCCCN[C@@H]1CCC(C)(C)c2ccccc21 389210896 UEAWLMJYNQKXCE-QGZVFWFLSA-N 257.421 4.745 30 10 CJEE CCCCCCCCCCNC(C)(C)COCC 393709358 YHBLQWLLWMCKKI-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCC[C@@](O)([C@@H]1CC1(C)C)C1(C#N)CCCCCCC1 397726824 VFZAFWVDAUMVNS-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1CCCCc2ccccc21 398194747 SUMGOAWWGCZDHB-CRAIPNDOSA-N 257.421 4.789 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CCC(C)(C)CC)C1 686216053 FCTXJTHQPAGFCZ-ZACQAIPSSA-N 278.484 4.853 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccccc1Cl 686681656 VWOIXRGZZNITMF-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(F)c(Cl)c1 686692621 MEMSFOUMGDNDNO-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CCc1ccc(CC)c(Nc2ccc(C)cc2C#N)c1 689597364 QZZWKJUTDWBHDA-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE Cc1c(Nc2ccc(C#N)cc2)cccc1C(F)(F)F 689684427 IQQLWYDAGRKTKE-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE Cc1cc(Nc2nccc(C#N)c2Cl)cc(C)c1Cl 690236362 ZDQDMVNGLYXSOX-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CCCCCC[C@@H](O)C(CC)(CC)C(F)(F)F 690910011 FTLYWZBUAZJJDD-GFCCVEGCSA-N 266.347 4.853 30 10 CJEE C=CCCC[C@H](O)c1cc(C(F)(F)F)ccc1Cl 694987603 VIGIKSAIGOEUFK-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCCOC1CCCCC1 699953382 MQSWYZXOXCFALX-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE CCC(CC)(CS)COc1cc(F)cc(Cl)c1 703730810 DDAURIVSCXSRQC-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CC(C)(C)[C@H]1CCCN(CC2(CS)CCCCC2)C1 708468306 SMUMMPGVRPUDNF-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C=CC[C@H](C=C)OC[C@@H](NCCC)c1ccc(Cl)cc1 709544928 WDMSAXUIBUQAQU-DLBZAZTESA-N 293.838 4.528 30 10 CJEE CCCCCCCC[C@@H](NCC)c1csnc1OC 712924580 LHXFKKXOAKSZGV-CQSZACIVSA-N 284.469 4.553 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccccc1OCc1ccccc1 715724189 UIRWWVYJSWWGBY-JXFKEZNVSA-N 295.426 4.738 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C(C)(C)c1ccc(F)cc1 715752395 IAPMJAUTCVINHM-RHSMWYFYSA-N 277.427 4.684 30 10 CJEE C=CC[C@H](C)[C@@H]1CCCCC[C@H]1CNCC(C)C 715788319 PXEXYCQPMHZLGH-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE Cc1cc(N[C@H]2CCCCCC2(C)C)ccc1C#N 718967023 UPHYNJTZSFVDGF-INIZCTEOSA-N 256.393 4.638 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H](C)Oc2cccc(Cl)c2)CC1 724567695 ZHXCNQQKPKZEOW-CXAGYDPISA-N 294.822 4.605 30 10 CJEE C=C1CCC(CC(=O)c2ccc(Br)s2)CC1 724578514 DPKHYMYZLOIMKC-UHFFFAOYSA-N 299.233 4.830 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)CCC[C@H]2C)CC1 724606976 LPOXVYVEPMZINB-SJLPKXTDSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)C[C@@H](C)CC(C)(C)C)CC1 724619126 VSYPLTFWMRABMA-ZBFHGGJFSA-N 251.458 4.913 30 10 CJEE CCCCCCCCCC(=O)Nc1cn(C)nc1C(C)C 796474256 TWZVMEJPVZVBOQ-UHFFFAOYSA-N 293.455 4.623 30 10 CJEE C=CCC(CC=C)C(=O)N(CC)c1cccc2ccccc12 1124624793 NDMLHUBBIFKIGI-UHFFFAOYSA-N 293.410 4.961 30 10 CJEE C=CCC(F)(F)C(=O)Oc1c(Cl)ccc2ccccc12 1132501717 TXRUNAPXUDXXKA-UHFFFAOYSA-N 296.700 4.610 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)CC1 1156353154 QETCETAVKRTXIX-LPHOPBHVSA-N 297.442 4.528 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCO[C@H](C)C1 1168144388 VXRZFQAUIUHHJM-SJORKVTESA-N 269.473 4.626 30 10 CJEE C#CCCCCCCSCCCc1ccccc1 1188760857 PPEQGISCTORNBI-UHFFFAOYSA-N 260.446 4.936 30 10 CJEE C=CCCCN(CC)Cc1ccc2ccccc2c1 1190520594 UFQSPCGIABIEEV-UHFFFAOYSA-N 253.389 4.628 30 10 CJEE 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C=CCCCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H]21 2220081844 JABFNEUGSBIUHA-VQHPVUNQSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCC[C@@H](O)C[C@H]1C[C@H]2C[C@H]2C1 2220084642 KBUWHQHDUMTBJF-WCXIOVBPSA-N 250.426 4.700 30 10 CJEE C=CC[C@@H](CCC1CCCCC1)CN[C@H](C)CC 2223539611 OPRQDMIZGJPUTE-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CCCCCCCN1CC[C@@H]2[C@@H](CCCC2(F)F)C1 2225411429 YIJPUFDSTBNSES-LSDHHAIUSA-N 273.411 4.714 30 10 CJEE C#CCCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225665193 BMXMPJGEUZEVQI-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE CC(C)Cc1ccc(-c2cccc(F)c2C#N)cc1 2225677556 XVVFSPKKIOJFQU-UHFFFAOYSA-N 253.320 4.563 30 10 CJEE CCCCCCC[C@@H](NC)c1nc(C(F)(F)F)cs1 2226419409 QGSTWXHPPSTSRH-SNVBAGLBSA-N 294.386 4.783 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCC(F)(F)C1 2227283362 ZMJNVLKCIBFQQZ-HNNXBMFYSA-N 273.411 4.880 30 10 CJEE C=CCCCCCCC[C@H](N)C[C@H]1C[C@@H]1C(F)(F)F 2227287417 LMLFPNRMBWQWKX-IHRRRGAJSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCCC(=O)C1(COC)CCCC1 2227289978 XXGBLRZHYYVCBG-UHFFFAOYSA-N 266.425 4.679 30 10 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C=CCCCCCCC[C@H](NN)c1ccc(F)c(Cl)c1 2235540398 WTLLPBXXQSKRIC-INIZCTEOSA-N 298.833 4.900 30 10 CJEE C=CCCCCCCC[C@H](O)c1snnc1C(C)(C)C 2235542084 OKYPKCAFLOPHNN-ZDUSSCGKSA-N 296.480 4.786 30 10 CJEE C=CCC1(Nc2cc(C)c(Cl)cc2[N+](=O)[O-])CCCC1 2236953916 NYWWDRFLLGVREZ-UHFFFAOYSA-N 294.782 4.857 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC2(CCCC2)CCN1 2237008334 QLDLTVMJNPRZQM-INIZCTEOSA-N 279.468 4.619 30 10 CJEE Cc1ccc(F)c(C2(C#N)CC(C)(C)CC(C)(C)C2)n1 2238015929 QJSSCFCHINWHNX-UHFFFAOYSA-N 274.383 4.527 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 2238161745 IYDCTHPTCLROBI-QWHCGFSZSA-N 274.383 4.714 30 10 CJEE N#Cc1ccccc1OC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2238902057 BHTWOYNQDDOKLE-BZUAXINKSA-N 269.388 4.544 30 10 CJEE CCCCCCCCCCOC[C@@H](N)c1csnc1C 2239490662 SUUDIBDPMAQURA-MRXNPFEDSA-N 298.496 4.609 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N 2239511856 YJDDDGMYLHHMQS-YLFCFFPRSA-N 281.484 4.680 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@H]1CNCC 2239547889 BXSBZTPTHRHGOO-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@H]1Cc2ccccc2S1 2240149485 HIPZXBMDNJYTAI-VYDXJSESSA-N 289.488 4.674 30 10 CJEE N#C[C@]1(Cc2ccc(C3CC3)cc2)CCCC12CCC2 2240355781 SWISWGITFOEJSU-LJQANCHMSA-N 265.400 4.971 30 10 CJEE CCc1cc(Cl)ccc1Nc1nc(C)c(C)cc1C#N 2240580077 NXUWXQTZHMOZRX-UHFFFAOYSA-N 285.778 4.530 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC2(CCC2)CO1 2240653422 GKLMCPHUNMHKAV-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCCF)NCCC 2240655132 ZITYGAABSFUOPY-IAGOWNOFSA-N 289.479 4.606 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@@H](OC)C1(C)C 2240656019 DJYRMBSACFTBQN-YESZJQIVSA-N 283.500 4.776 30 10 CJEE Cc1ccc2nc([C@@]3(C#N)CCC[C@@H](C)C3)ccc2c1 2241099755 LQELXYCWIJGBII-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE N#CC1(Cc2ccc3occc3c2)CCC(F)(F)CC1 2241191616 HDLXMXYGSMXGCQ-UHFFFAOYSA-N 275.298 4.695 30 10 CJEE C=C[C@@H](C)C[C@@H](O)c1cc(Br)cc(C(C)C)c1 2247238797 LDCLZGOQGPFLKC-IAQYHMDHSA-N 297.236 4.818 30 10 CJEE C=CCCC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2247238891 MRXYBFSBSTUWMX-OAHLLOKOSA-N 297.236 4.962 30 10 CJEE CCC(CC)(CS)COCC1CCC(C)CC1 2250261837 HSCIBFDHJPATOH-UHFFFAOYSA-N 258.471 4.566 30 10 CJEE N#Cc1ccc(Cl)cc1SC1CC2(CCC2)C1 2251082951 GRNNBHLZJITFMT-UHFFFAOYSA-N 263.793 4.636 30 10 CJEE C=C(C)CCCCOc1ccc(OC)c(Br)c1 2252891454 PMOUDQDKSZSWAM-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE C=CCC[C@H](CC[C@@H]1CCC[C@H](C)C1)NCCC 2253935827 PRGXUGMTONPBEJ-YESZJQIVSA-N 251.458 4.927 30 10 CJEE CCCCCCCC(=O)c1nccc2sccc12 2256830326 IZRRIVFTJNUJRD-UHFFFAOYSA-N 261.390 4.840 30 10 CJEE CC#CCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2258561590 HKVKOYQNSMPLEY-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE C=CCCCSc1ccc(CNC(C)C)c(Cl)c1 2259046164 RLMFNOUMYKMGJT-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=CCCCCCCCSCC1CCC(N)CC1 2259049199 OKCWXOYRJSZLPY-UHFFFAOYSA-N 269.498 4.764 30 10 CJEE C=CCCCSc1ccc(Cl)cc1CNC1CC1 2259061239 RGTZZEWGPFDWRD-UHFFFAOYSA-N 281.852 4.650 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C)ns1 2259192035 AGWFIQCWXQNXHT-CQSZACIVSA-N 266.454 4.629 30 10 CJEE CCCCCCCCNC[C@]12CCCC[C@H]1CC2 2260527169 JVFTVUBGVGNVNH-DLBZAZTESA-N 251.458 4.907 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)CC)OCCN 2262773044 OJUDDTSOLAHYEY-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@]1(C)NCC[C@@H](CC)O1 2263644429 CXZWZSXLYVQYHS-CVEARBPZSA-N 255.446 4.632 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C)CCOC 2263661525 NXJIJASPVUKCHY-CVEARBPZSA-N 258.446 4.551 30 10 CJEE C[C@@H]1C[C@@H]2CCC[C@H]2N1CC1(CS)CCCCCC1 2265447383 SCWOTWAKNFZCSF-OWCLPIDISA-N 281.509 4.520 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)CC1CCCCC1 2268736789 SWQMEVAEEVPXQM-GOSISDBHSA-N 262.437 4.704 30 10 CJEE CC(C)(C)C#CC=CCc1cccc(C(F)(F)F)c1 2268746130 CFNAZGFFCRVUHQ-UHFFFAOYSA-N 266.306 4.854 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@H]1CCCC(C)(C)C1 2268750653 NUBAPVUFHKEBEC-HOTGVXAUSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)c1ccccc1Cl 2268754894 NEQUCHCBNPACBS-QGZVFWFLSA-N 276.807 4.543 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCCC 2271498580 RZLFORBGISAASH-YESZJQIVSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(OCCC)cc1 2271788313 PDNAYBMEKHOCIS-KRWDZBQOSA-N 262.393 4.645 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(C)cn1 2271792672 RUMNZDYYBSVOLU-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE CCCCCCCC[C@H](C)NC1CC(C)(COC)C1 2274102153 CQGQDEIJRRFLRF-GTPINHCMSA-N 269.473 4.530 30 10 CJEE CCCC(CS)(CCC)COCC#CC1CCCC1 2274166966 QYEGQHIVEHCDMX-UHFFFAOYSA-N 282.493 4.713 30 10 CJEE FC1(F)CCN(CCCCCCCS)C2(CCC2)C1 2277500586 NCRHTFOVCBAXJD-UHFFFAOYSA-N 291.451 4.521 30 10 CJEE CCCC[C@H](CC)CSCc1cc(C#CCO)cs1 2278254989 HLANQBKOXNCVDK-AWEZNQCLSA-N 296.501 4.542 30 10 CJEE C=CCCCCCCC(=O)c1nc(C(C)(F)F)cs1 2278601751 LFVYQELXWLPYDH-UHFFFAOYSA-N 287.375 4.964 30 10 CJEE C[C@@H]1CCC[C@H](CCN(CCC#N)CC2CCCC2)C1 2279804564 GGCDQKOCBRIBGJ-IAGOWNOFSA-N 276.468 4.609 30 10 CJEE CC1(C)CC(Nc2c(F)cccc2C#N)CC(C)(C)C1 2280476261 LOZLQDBSVYMDOJ-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE Cc1cc(N[C@H]2CCC[C@H](C3CC3)C2)cc(C)c1C#N 2280560881 BFYHMRPXMTYQFM-HOTGVXAUSA-N 268.404 4.556 30 10 CJEE Cc1cc(C#N)cc(C)c1OCC[C@@H]1CCCC12CC2 2281334498 XBWHHTAWXFISCH-INIZCTEOSA-N 269.388 4.524 30 10 CJEE CCCc1ccc(CC2(C=O)CCC(F)(F)CC2)cc1 2283526544 BJBGSUPBECMKLE-UHFFFAOYSA-N 280.358 4.576 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1CC2(C1)CC(C)(C)C2 2284089873 NQCNPIBLHDSRLT-MRXNPFEDSA-N 273.464 4.526 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(C)cc(OC)cc1C 2286483303 YHHQBSLUZFNGMG-KRWDZBQOSA-N 275.436 4.709 30 10 CJEE C=CCCCS[C@H]1CCC(C)(C)[C@@](C#N)(NC(C)C)C1 2287083637 KVLFYBAZXNPBRP-DOTOQJQBSA-N 294.508 4.525 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](C)[C@](N)(C#N)C1 2287093342 DAAKTPARDAIRNM-BRWVUGGUSA-N 294.508 4.656 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(C(C)(C)C)CCC1 2289692428 WWFKEBSHWBNRFB-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(C)cc(Cl)c1 2289852847 UQPAHDKODNWUCO-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCC1(CC)CSC(=NCC2CC(CC(C)(C)C)C2)N1 2290030876 IIYICNJMDBPQLP-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](CC#CC2CCCCC2)[C@@H]1O 2290334395 LNCXNPRGQBIBHX-IRXDYDNUSA-N 276.464 4.784 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccc(C)cc1 2293262480 FJTNDTLDQMUCTB-GOSISDBHSA-N 277.452 4.762 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCC2(CCCC2)C1 2293269699 UPOKQSBWNYKBHD-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@H]1CC1(C)C 2293497695 AYUOKCPUPQQDRZ-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1cnsc1 2293529139 ZWBVRUTVHWOXQL-INIZCTEOSA-N 298.496 4.690 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC12CC2)OCCCN 2293627029 QCPNGSMWGPACRP-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H](C)C1CCCCC1 2293668097 VWOZUZNBZBVKDR-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CC[C@@H]2C[C@H]2C1 2293716704 GNMBITUXSXNZKO-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(Cl)cc1F 2294032109 HGOCJTWKDHEJDZ-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C2C3CC4CC(C3)CC2C4)C1 2294902246 IMBADZPESLMQHD-VWWUJVRVSA-N 274.448 4.844 30 10 CJEE CCCCCCCCC[C@H](C)N1CCN[C@H](C)C[C@H]1C 2295513691 AHUCXWQADVASDU-FGTMMUONSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@H](C)N(CCC)[C@@H]1CCNC1 2295536543 PGUKSLYRULRFDB-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cn(CCC)cn1 2295581607 SQGSZDGGULPLDI-QGZVFWFLSA-N 279.472 4.608 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1CO 2295678330 HDYKNRARJNKNHE-KSZLIROESA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@@H](C)C1 2295678585 ZPFQCQRCPNTNHC-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CCC(C)C)NC 2295681748 JMKSYZHHEIQKHS-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=C([C@@H](N)[C@](C)(O)CCCCCCCCC)[Si](C)(C)C 2295682887 VGXFLFYDVKRTRG-IAGOWNOFSA-N 299.575 4.639 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](n2nc(Cl)c3ccccc32)C1 2296399224 NHKNDZNSMPDCFP-XUJVJEKNSA-N 287.794 4.581 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](C)SC 2299417676 OXEGZQJJNOUXSN-LSDHHAIUSA-N 257.487 4.633 30 10 CJEE CCC(CC)CCOc1ccc(C#N)cc1Br 2300702158 VNEADYPKVDZCCV-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2306223861 KGELLXWYRJKXDH-GFCCVEGCSA-N 296.600 4.926 30 10 CJEE C=CCC(CC=C)[C@@H](O)Cc1ccc(Cl)cc1Cl 2316752767 RDLZJQWEDNFKSU-HNNXBMFYSA-N 285.214 4.665 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C 2320101242 NQIVCNFDTGCPLF-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C#N)CCS[C@H](C)C2)CC1 2320337340 MCRDALMGGLPOKB-BZUAXINKSA-N 263.450 4.938 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)C1CCC(CC)CC1 2321108432 PKQYIRPUHWYXJZ-SJJHQCBESA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccccc1Cl 2321114795 ZCABIYDDFVHPDI-JKSUJKDBSA-N 265.828 4.983 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(F)cc1SC 2328514090 RMCVIEVZRXYVBI-CQSZACIVSA-N 269.429 4.908 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330164367 YAYWNUXVCJGPQQ-YJNKXOJESA-N 273.411 4.616 30 10 CJEE CCSc1ccc(C(C)=NOCc2ccccc2)cc1 2330501004 JUUDVJPTLSCDOX-UHFFFAOYSA-N 285.412 4.739 30 10 CJEE C=CCCC[C@@H](NCCC)C(CC1CC1)CC1CC1 2335146996 NXENVEVNBRGAKT-GOSISDBHSA-N 263.469 4.927 30 10 CJEE CC1CCC(CSCc2ccc(F)c(C#N)c2)CC1 2335348135 DEJISVDAHZCFCL-UHFFFAOYSA-N 277.408 4.757 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1 2338658915 AEECTHZNZMIRFK-CGTJXYLNSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@]1(CNC2CC2)CC[C@H](CC)C1 2338727029 HHSNTABSGFJCEU-MAUKXSAKSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@](C)(CC)C(F)F 2338739775 YVNMNISQWLZXCL-GDBMZVCRSA-N 273.411 4.804 30 10 CJEE C=CCCCCCCCCCOC[C@H](NC)C(C)C 2341356072 FOOJFLZVEUQAIX-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CC1=C(C)C[C@@H](COc2ccc(C#N)cc2Cl)CC1 2343305392 RCFDBMUFWLKKBQ-AWEZNQCLSA-N 275.779 4.727 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C(CC1CC1)CC1CC1 2344383408 SBOHGOXSGLKJNY-MSOLQXFVSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1nc(C(F)(F)F)c(C)s1 2344420992 OVXRFVORRSAESN-LBPRGKRZSA-N 291.338 4.645 30 10 CJEE CCC[C@H]1CCCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352079047 JEOGLNBMWFHKQI-RDJZCZTQSA-N 285.541 4.871 30 10 CJEE CCC1CCC(N(C)C[C@@](C)(CS)C(C)(C)C)CC1 2352317196 JIJXKWLXMKNJCS-DQPZFDDXSA-N 285.541 4.869 30 10 CJEE CCCCCCC[C@@H](C[C@H](CC)CCC)OCCN 2353454060 DQRUCVGFUCOASD-SJORKVTESA-N 271.489 4.907 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCCC[C@H]1C(F)(F)F 2353836424 ZLHACKUPKKWALV-YNEHKIRRSA-N 298.414 4.716 30 10 CJEE CCCCC#CC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NCCC 2358137837 ZTIVPZNTYZFWGQ-QLFBSQMISA-N 289.385 4.527 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2358138326 OQRINEAHYZBSQA-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCCN1C(=O)C[C@H]2CC[C@@H]1C2 2358321484 VIDNSTMNOCMEBS-DLBZAZTESA-N 277.452 4.694 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(OCC)cc1 2360375117 NLQUHOGSPAQWLB-UHFFFAOYSA-N 290.428 4.522 30 10 CJEE Cc1ccc(-c2nc3cccc(C)n3c2[C@H](C)C#N)cc1C 31915687 PHLKVLDVFUVFIL-CQSZACIVSA-N 289.382 4.554 30 10 CJEE Cc1cc(Oc2ccccc2C#N)cc(C)c1Cl 36683323 QEBNVLSHLJHISW-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CN[C@](C)(C#N)CCCCSc1ccc2ccccc2c1 45365767 AZKIHEFDHBZKTQ-SFHVURJKSA-N 298.455 4.604 30 10 CJEE Cc1cccc(/N=C2/N[C@@]3(CCC[C@H](C)C3)CS2)c1C 53099492 IBKPJLBQQCSUEE-YVEFUNNKSA-N 288.460 4.576 30 10 CJEE C[C@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1 57746111 QIYCUNDZGJLWGN-MLGOLLRUSA-N 255.748 4.751 30 10 CJEE CCCCCCCCOc1cccc(CNC2CC2)c1 59178841 RMAPRMIYHDEAEA-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 68618527 AVQDLIALHUXIOU-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE CC[C@H]1CCCC[C@@]1(C#N)Nc1ccccc1Cl 71162382 MEWXSFNBHHZFGK-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CCCN[C@H](C)c1cccc(SCCCCC#N)c1 84125993 YLLCLLMIUBQGGQ-CQSZACIVSA-N 276.449 4.533 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86949108 GPHNRXSFZFPEDV-DOTOQJQBSA-N 256.393 4.741 30 10 CJEE CC1CCC(C#N)(Cc2ccc(OC(F)(F)F)cc2)CC1 87930587 PHLYAYOLGMRMCR-UHFFFAOYSA-N 297.320 4.848 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CC[C@H](CC)C2)CC1 91903390 IQZNZAPZVFAFKN-BSDSXHPESA-N 277.452 4.818 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H]2CCC[C@H](C)C2)CC1 91903957 BCBRJNWTQGXBKD-DROMLMRLSA-N 277.452 4.674 30 10 CJEE Cc1ccc(Cl)c(OCC2(CS)CCCC2)c1 94584421 MQLHKGQXVPWSNS-UHFFFAOYSA-N 270.825 4.517 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1CC)c1ccccc1Br 107495624 MPJHTBYRRRYFAY-HONMWMINSA-N 283.209 4.510 30 10 CJEE CC#CC[C@@H](C)c1cc(C)cc(C)c1OCC(C)C 107666137 RHBORARKRRRZSV-OAHLLOKOSA-N 258.405 4.855 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cnccn1 107683639 WAKMGDVTIPURDQ-MRXNPFEDSA-N 277.456 4.787 30 10 CJEE CCCCCCCCCOC(=O)c1cc(Cl)ccc1N 109895500 XJKRRMORSWXGQZ-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 109945484 JZCBNBNNLOGBTQ-MZMPZRCHSA-N 270.420 4.739 30 10 CJEE CCCCCCCCO[C@@H](c1ccc(C)o1)[C@H](N)CC 109988749 MKHFDPVVPXZIEC-NVXWUHKLSA-N 281.440 4.744 30 10 CJEE CCCCCCCC[C@]1(CNC)C[C@@H]2CC[C@@H]1C2 110195017 DZMODFNRPSAAIG-BRWVUGGUSA-N 251.458 4.763 30 10 CJEE CCN(c1cccc(C)c1)c1cc(Cl)ccc1C#N 110254659 KZUPPDDQGKYSBE-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE Cc1ccc(C)c(Oc2cc(Cl)ccc2C#N)c1 110260915 UIQSDJLJKVWIJY-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1C(=O)O 110463708 KAHDEXNFFFCINN-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CCCCCCCn1ccc2c(C[C@H](N)CC)cccc21 112985423 JTQQKELMJALGCA-QGZVFWFLSA-N 286.463 4.892 30 10 CJEE CCCCCCC[C@]1(O)CCC[C@H](C(F)(F)F)C1 114877058 AHXDFEMOGFKLMZ-STQMWFEESA-N 266.347 4.831 30 10 CJEE CCCCCCCCN1CC(C)(C)NCC1(CC)CC 115228064 RRHIAPGXRIOIMC-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@@H]1C1CC1 115249710 UCDBNUMJLRCJNA-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](O)c1cc(OC)c(OC)cc1F 115860074 ULRIWDPQLRVBGE-HNNXBMFYSA-N 298.398 4.627 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)c1ccncc1 117685123 LYVGWEPNUPUTOD-AEFFLSMTSA-N 276.468 4.914 30 10 CJEE CCCCCCCCCCN[C@@H]1CS[C@@H](C)C1 124780175 XIVUSDGBKNFGJY-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1cc(C#N)ccc1Cl)C2 127719490 GJKAYOLTPYESRR-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCC[C@@H](N)C1C[C@@H]2CC[C@H](C1)N2C 129177319 VRBDLSHJMFWHET-XVLXNVKGSA-N 294.527 4.717 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(Cl)ccc1Cl 131506242 AHDNGJLTAGQDEP-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CC(C)c1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 135667949 BDNZLZZBPADKIB-ZDUSSCGKSA-N 284.428 4.594 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](CN)CCCC 150241110 OWJJSCWUIWBELV-QGZVFWFLSA-N 298.515 4.541 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(F)cccc1OC 156083913 PXGYHUFFEMGTMA-OAHLLOKOSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCCC[C@H](O)C1=CCCCO1 160455058 ONNCKDDLWJZFLE-INIZCTEOSA-N 268.441 4.963 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(F)c2)cc1C(F)(F)F 160500156 GLTFNNBSVHCSEN-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)c2ccc(F)cc2O1 165458928 YMATWACKZRHQKC-KRWDZBQOSA-N 278.367 4.910 30 10 CJEE CCCCCCCCCCCCC(=O)CCNCC 168819589 OXFZFANSGRORHK-UHFFFAOYSA-N 269.473 4.866 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1cc2ccccc2s1 169179717 WTQJUWAZTBUNEB-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE CCCCCCCC[C@H](CCC[C@H]1CCCO1)NC 169273724 ZVUQZPKFIWKPDG-SJORKVTESA-N 269.473 4.674 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 221801515 ZSBMSICUWLSEAU-ZQIUZPCESA-N 270.420 4.724 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCCCC[C@@H]1N 226743218 PUKJVSOCBMZQSF-CVEARBPZSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(OC)CCCC1 228196896 XQSFWBQIOYKWCR-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE CCCCCCCCNC1=NC[C@H](C(CC)CC)S1 230573510 UXJJZFZLHNYIAJ-OAHLLOKOSA-N 284.513 4.844 30 10 CJEE C=CCSCCN[C@@H]1CCCC[C@@H]1C1CCCCC1 231930568 HLUUXXVXAMUYHM-IAGOWNOFSA-N 281.509 4.634 30 10 CJEE CC(C)C(C)(C)CNc1ccc(C#N)c(C(F)(F)F)c1 232804372 ILXUSADKQHYUQT-UHFFFAOYSA-N 284.325 4.671 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](O)c1ccccc1 232918821 KQFNQINSDPANOH-ZWKOTPCHSA-N 278.436 4.612 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cn(C)cn1 232966489 OOIVMULMXNWFFN-INIZCTEOSA-N 279.472 4.602 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccccc1OCC 233609782 KCBWARVJXONMFB-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2ccccc2c1 248713466 BOTFFOITBCNPDI-QMTMVMCOSA-N 278.399 4.573 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@H](C)c1ccccc1F 250821524 LJANSTWCGOERRW-CVEARBPZSA-N 294.458 4.506 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1ccc(Cl)cc1Cl 251633892 FPEGOCQUXUSPIB-SWLSCSKDSA-N 297.229 4.823 30 10 CJEE Cc1oc(N=Cc2cccc3ccccc23)c(C#N)c1C 254868769 UOEUUHPTGBEJBY-UHFFFAOYSA-N 274.323 4.672 30 10 CJEE CCCC[C@@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 302460076 WHAQJOIRSSQDJV-MFKMUULPSA-N 298.213 4.996 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)s1 305898300 UQZMJLMRIJWQSD-GFCCVEGCSA-N 283.868 4.882 30 10 CJEE C/C=C(\CC)C(=O)c1ccc(C(F)(F)F)cc1C 310603224 NJNBNJOORNYXNG-ONNFQVAWSA-N 256.267 4.553 30 10 CJEE N#Cc1ccc(Oc2cc(F)ccc2Cl)c(Cl)c1 310757611 KFJBBSLKMKVNKI-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE N#C[C@@]1(Cc2sccc2Cl)CCc2ccccc2C1 311339544 HPTYXTUGMXDCMK-INIZCTEOSA-N 287.815 4.643 30 10 CJEE C[C@@H](c1ccc(Br)cc1)C1(C=O)CCCCC1 316515463 DFZMKCSAUZUZSX-LBPRGKRZSA-N 295.220 4.702 30 10 CJEE O=CC1(Cc2cccc(Cl)c2F)CCCCCCC1 316804984 ZAOCPVSAARMFGG-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2F)C1 317260543 FWMHKLXOVMXJGQ-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE CC(C)CCCCC[C@@]1(C=O)CCOc2ccccc21 317468867 XEVAIXHUQHKIPF-SFHVURJKSA-N 274.404 4.512 30 10 CJEE CC(C)CC[C@@](C#N)(Nc1ccc(Cl)cc1)C1CC1 381828009 PCLOXBSLKVRCOB-INIZCTEOSA-N 276.811 4.860 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CC2CCC1CC2 382524908 XLGGRGLXWVTEOD-FOIPXRHGSA-N 263.469 4.927 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@H]1CCCc2ccccc21 384868201 OHLBNHDKDKSGJQ-QGPMSJSTSA-N 253.389 4.827 30 10 CJEE CCC1CCC(C#N)(c2ncc(Cl)cc2Cl)CC1 385210289 JJKIZDMJHOVXQR-UHFFFAOYSA-N 283.202 4.750 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](C)CCOC 386253764 LMTXXWRBEQCDMD-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@H]1CCC[C@H](CC)C1 387638640 WPTSGYWGQIDYLK-BZSNNMDCSA-N 281.484 4.552 30 10 CJEE C=CC[C@H](CC)N[C@@H](CC)c1ccc(Cl)cc1 393785784 UFJRKTKFQRDNSI-GJZGRUSLSA-N 251.801 4.735 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 394048632 LMHUNFSYINFLCE-VVLHAWIVSA-N 264.457 4.605 30 10 CJEE N#C[C@H](CNc1ccc(Cl)cc1Cl)C1CCCC1 397331161 CRVQNJHHFXOLGW-LLVKDONJSA-N 283.202 4.735 30 10 CJEE C[C@](C#N)(CCc1ccc(Cl)cc1)c1ccccc1 405731704 HFGVVMYRGZNPAN-QGZVFWFLSA-N 269.775 4.754 30 10 CJEE C=CCOc1ccccc1CN(C)[C@H](C)c1cccs1 507431788 GNIXKZAIJQUXEO-CQSZACIVSA-N 287.428 4.506 30 10 CJEE C#CCCCCCOc1c(Cl)cccc1Cl 686686336 HHJHSZWBYWCKGX-UHFFFAOYSA-N 257.160 4.566 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc2ccccc2o1 686687936 ASUZUQAUOOMYAV-INIZCTEOSA-N 269.388 4.667 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1C#N 691050980 BMTUSMLZGPTQIL-DOMZBBRYSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCCNC[C@]12CCC[C@@H]1C2 693598771 JZNGAPWRPJLZFT-IAGOWNOFSA-N 251.458 4.907 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1cc2cscc2s1 693991459 AEAFXRBEKUSWAP-VCTAVGKDSA-N 291.441 4.716 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3ccsc3)C[C@@H](C1)C2 700366021 MNOPHBSMCRSWQK-ZNUWXHPXSA-N 261.434 4.534 30 10 CJEE N#Cc1ccc(Oc2cc(F)cc(Cl)c2)cc1Cl 703734053 RUJJOIZPOYJPFW-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C#N)c1 703772334 SZGOYGBORSWEMO-QILLFSRXSA-N 270.420 4.739 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CC1CCCCC1 703961821 RBYLCPANDPMYFJ-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(C)s1 703988008 IRGXAQCPVGKBCH-CYBMUJFWSA-N 251.439 4.700 30 10 CJEE O=C(C1=CCCCCCC1)c1cccnc1C(F)(F)F 704283335 BLFFGEMBAVBANF-UHFFFAOYSA-N 283.293 4.564 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 715734577 URYPVTYKPDTPGE-ZANVPECISA-N 291.744 4.832 30 10 CJEE CCCCCCCCCCCCN[C@@]1(C)CCN(C)C1 716561203 JEAYDMDXZNUOKG-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)[C@]2(C)CC2(C)C)C1 717106865 JULPHRCLEWHQEA-DYVFJYSZSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC12CC2)NC 723188914 VKVVENBSWNTWRQ-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=C1CCC(CNCc2c(C)oc3ccccc23)CC1 724451013 DSSOZUZPEBBMAE-UHFFFAOYSA-N 269.388 4.577 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)cc(F)c2)CC1 724590623 YQMVUPYJHPSORF-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE C=C1CCC(C[C@H](NCC)C(C)(C)C2CCC2)CC1 724607877 REEBTKMQBHLUHM-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](NCc1ccn(C)n1)c1ccccc1 773133084 QCTIOPPCDIVTFC-IBGZPJMESA-N 299.462 4.612 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1nccs1)c1ccccc1 883326916 MSGFITWMNYVFSE-GDBMZVCRSA-N 286.444 4.891 30 10 CJEE COc1cccc2c1CC/C(=C/c1ccc(Cl)cc1)C2=O 1088695724 OMNPNRNTAXSNJV-QBFSEMIESA-N 298.769 4.561 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCC[C@H](F)C1 1129529876 WUWRIXYOJSAXPM-HOTGVXAUSA-N 283.431 4.548 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)C[C@@H](C)CCCCCCCC 1134914961 ATESBZPJNHYOMU-ZWKOTPCHSA-N 291.479 4.778 30 10 CJEE C=C(CC(C)C)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 1149702750 VHXDKUCFYZNDTE-QUCCMNQESA-N 297.442 4.517 30 10 CJEE C=CCCC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccccc1 1183551134 OPKMWHZVSSLRNO-QYZOEREBSA-N 269.432 4.862 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(-c2ccnn2C)ccc1C 1205535876 TWOJZRMMGUEEHN-QGZVFWFLSA-N 297.446 4.942 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)c1cccc2ccccc12 1264311244 SHMXFBADUUMQQN-UHFFFAOYSA-N 281.399 4.795 30 10 CJEE C=CCCSc1nccn1-c1ccc(C(F)(F)F)cc1 1307303657 FHULZKAXJHTCFX-UHFFFAOYSA-N 298.333 4.559 30 10 CJEE C=CC[C@H](NCc1ccc(C(C)C)cc1)c1ccncc1 1308272887 LJZSCZOPASVGCV-IBGZPJMESA-N 280.415 4.612 30 10 CJEE C=CCC[C@H](CCC)Nc1ncccc1CSCC 1308914225 CMEAORTUCOIDLB-HNNXBMFYSA-N 278.465 4.882 30 10 CJEE C=CCCCNC(=O)Nc1ccc(SC(C)(C)C)cc1 1310243503 KSVUCEVQUMCWEB-UHFFFAOYSA-N 292.448 4.665 30 10 CJEE C=CCC(CC=C)C(=O)N(CC)[C@H](CC)Cc1ccccc1 1355963544 CSGGDARPZBXABN-LJQANCHMSA-N 299.458 4.625 30 10 CJEE C#Cc1cccc(NC(=O)[C@@](C)(CC)CCCCC)c1 1357411822 CNOHBOKGUHIZTM-SFHVURJKSA-N 271.404 4.603 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc(C)c(Cl)cc1C 1435242122 TYWNQELUEVFKBJ-UHFFFAOYSA-N 293.838 4.775 30 10 CJEE CCCCCCCCCNCc1ccc(C)c(F)c1 1461006478 GOKVSNHCMFGQJY-UHFFFAOYSA-N 265.416 4.974 30 10 CJEE C=CC[C@@H]1CCN1C(=O)[C@](C)(CC)CCCCCC 1472260723 DFMDSOKGTFTFSH-NVXWUHKLSA-N 265.441 4.550 30 10 CJEE CCCCCCCCN1CCC[C@H](C2CCC2)C1 1473656654 RFHPJCMIIXIKOA-KRWDZBQOSA-N 251.458 4.859 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(C(C)(C)C)cc1 1519971119 SPTNNUPXDGEJGW-DEQJRXDXSA-N 297.442 4.564 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC[C@@H](CCC)C1)c1ccccc1 1544075796 HUKKRNWYUIHVML-IEBWSBKVSA-N 299.458 4.775 30 10 CJEE C=CCCN(CC=C(C)C)Cc1ccc(Cl)cc1 1559784433 WBZQYCDAZPXHPK-UHFFFAOYSA-N 263.812 4.684 30 10 CJEE C=C(C)CN(CC[C@H]1CC1(Cl)Cl)Cc1ccccc1 1559807981 XLGQFLNBBJTHCL-HNNXBMFYSA-N 298.257 4.649 30 10 CJEE C=CC(C)(C)CCCNCc1cc2cccc(OC)c2o1 1560578836 KWFOOMLTKWSPOA-UHFFFAOYSA-N 287.403 4.523 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] 1560995151 ADSXRYHHFXLUSB-CABCVRRESA-N 290.407 4.770 30 10 CJEE Fc1ccc(C#Cc2c(Cl)cccc2Cl)c(F)c1 1614730836 IZKXMVZNFNEXEX-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CC[C@@H]1N(Cc2cc(F)ccc2C)CCCC1(C)C 1617603969 LRQAOMKJQITINY-KRWDZBQOSA-N 275.411 4.701 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](CC)C1CCC(C)CC1 1623981620 IQSQPKKGVZPQFI-JCYILVPMSA-N 293.495 4.948 30 10 CJEE C=C1CCC(CNC(=O)C[C@H](C)c2ccc(CC)cc2)CC1 1625699396 CRJLKPZRFUECHN-INIZCTEOSA-N 299.458 4.605 30 10 CJEE C=C(C)c1cccc(NC(=O)C2=CCC(C)(C)CC2)c1 1646568124 BUHDRZCUPSVYGI-UHFFFAOYSA-N 269.388 4.795 30 10 CJEE C=CCCCCSc1ncc(-c2ccccc2)o1 1651774391 HSOHURUAZKVUJA-UHFFFAOYSA-N 259.374 4.790 30 10 CJEE C=CCCC1(CN[C@@H]2CCC[C@H](C)[C@H]2C)CCCC1 1652814725 SJUCQFLYFIFTKI-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](C)c1ccc(OC)c(C)c1 1653083026 WEBUBRWCZWESSH-DOTOQJQBSA-N 275.436 4.789 30 10 CJEE C=CCOc1cccc(CNCC(CC)(CC)CC)c1 1655901425 KJAYEEGGOYRTPU-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C#Cc1ccc(CN2CC[C@H](C)C[C@@H]2c2ccc(C)o2)cc1 1657252835 WQHLRDAHQSBXNZ-HNAYVOBHSA-N 293.410 4.543 30 10 CJEE C=CCC[C@@H](CC)NCc1cc(C2CC2)ccc1F 1658190334 UGLDQNPVWQLBCA-MRXNPFEDSA-N 261.384 4.538 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(-c3ccsc3)cc2)C1 1659142509 MXTCKPGYMFHKBF-MRXNPFEDSA-N 295.451 4.650 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C(=C)C)c2ccc(F)c(F)c2)C1 1659488791 AADRZCZELHMWBW-XUWXXGDYSA-N 291.385 4.916 30 10 CJEE C#Cc1cccc(N[C@@H](C)CCc2c[nH]c3ccccc23)c1 1664194289 GXHZGAVVKDVQPA-HNNXBMFYSA-N 288.394 4.582 30 10 CJEE C=CCC1(CN[C@H](CCC)[C@H]2CC2(C)C)CCCC1 1664711717 BPGGUILFXQOFDT-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CC1(C)C 1665021929 HWIFRHSPVRJQAR-QYZOEREBSA-N 296.458 4.740 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C2CCC2)cc1 1670758894 ALYPEYKMKJCMKX-UHFFFAOYSA-N 286.419 4.820 30 10 CJEE N#Cc1cncc(-c2c(Cl)cc(Cl)cc2Cl)c1 1848373099 CSKIJBGGMCOWHM-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=C1CCC(CN2CC[C@]23CCCC(C)(C)C3)CC1 1884398349 JYBNVTKTYGFUKG-SFHVURJKSA-N 261.453 4.778 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H](C)CC(F)(F)F 1885228105 LQLLLEGLQGAVCK-KBPBESRZSA-N 277.374 4.527 30 10 CJEE CC#CCCCC[C@H]1CCCCC[C@H]1CNCCC 1885237153 NTSAFQUWWHGEHB-ROUUACIJSA-N 263.469 4.766 30 10 CJEE CC1(C)CCC([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 1885273508 CHPWONGVBIBEOX-UONOGXRCSA-N 278.245 4.685 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNC(C)C)CCCCC1(C)C 1887475637 OFTMATWMKSMMTQ-FUHWJXTLSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@@]1(N)CCOC2(CCC2)C1 1889629104 GIRQADCVHAWZFH-MRXNPFEDSA-N 267.457 4.558 30 10 CJEE C=CCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 1901095455 GDXBJNMIUMBUSW-GFCCVEGCSA-N 258.192 4.529 30 10 CJEE C=CCC[C@H](C)c1cc(C)cc(Br)c1OC 1901334002 ZOCGGPORFHEAOJ-NSHDSACASA-N 283.209 4.836 30 10 CJEE N#Cc1ccc(OCCC=Cc2ccccc2)c(Cl)c1 1911858374 MNCDHQBDXRJUKS-UHFFFAOYSA-N 283.758 4.694 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cc(CC)ccn1 1912366414 DLMMEZVAHJWUHC-KRWDZBQOSA-N 274.452 4.821 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)C1CC2(CCCC2)C1 1912597820 WQRQZCHSSHIEAU-SFHVURJKSA-N 273.464 4.519 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(F)c(Cl)c2F)cc1 1912897493 MPJAWFBGHXGVGG-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(F)cc(Cl)c1 1918445227 WRMHXEUGMPMFAC-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CCCCCCC[C@@](C)(N)CCc1c(F)cccc1F 1919492541 MMQMBLYUNKYIKO-QGZVFWFLSA-N 283.406 4.975 30 10 CJEE 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4.595 30 10 CJEE C=CCCCC[C@](C)(OCCCN)c1ccccc1Cl 2294418789 FMHUDDPORIETAG-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE CC(C)CCN(CC(C)C)C[C@H](C#N)C1CCCCC1 2294749771 WUAGMKFDBMQGCH-SFHVURJKSA-N 278.484 4.711 30 10 CJEE CCCCCCCCC[C@](C)(O)C1(C(=O)O)CCCC1 2295594508 NCKYTBQHWCOXFD-INIZCTEOSA-N 284.440 4.523 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)C1CCCC1 2295682129 MYDADZIATVJRJG-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CC(C)(C)C#CCN[C@H](c1ccccc1)C1CCCC1 2295721456 CCRNKLFOBKMGFF-GOSISDBHSA-N 269.432 4.557 30 10 CJEE COc1ccc2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)CC2 2297549105 CBPVONLZFZEJRD-UHFFFAOYSA-N 298.769 4.561 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1c(Cl)ccc(Cl)c1F 2304057281 VTVGPEBOZNUGKJ-OQPBUACISA-N 276.182 4.605 30 10 CJEE C=CCC(C)(C)C(=O)CC(C)(C)CC(F)(F)F 2304086713 STGRNXIQWHVHEH-UHFFFAOYSA-N 250.304 4.527 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2306215408 UMPRERPUNUHOPA-ZDUSSCGKSA-N 276.182 4.749 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2307307786 QTDHXVIBZGXGAV-QPUJVOFHSA-N 276.182 4.605 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CC[C@H]1C2 2309413593 FFTOKEZCTGXIQZ-HOTGVXAUSA-N 269.498 4.521 30 10 CJEE C=CCC(CC=C)SC[C@@H](O)CC1CCCCC1 2313527326 QEZRIYFCFJPKPU-HNNXBMFYSA-N 268.466 4.572 30 10 CJEE CCCCCCCCC[C@@H](O)C#C[C@@H]1CC1(C)C 2317341133 JMIXOXSUNRQUNK-HZPDHXFCSA-N 250.426 4.538 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(C)(C)C1)NCC 2321140891 KUTVKVQFUVQWTD-DOTOQJQBSA-N 251.458 4.783 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2321864652 MBBOLYNTOXXALM-GZMMTYOYSA-N 291.794 4.956 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@@H](F)C1 2327459460 SNTZSCGHEDSUGB-IYBDPMFKSA-N 257.437 4.997 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C(C)C 2327872533 INMWJHZUNFRVMD-RISCZKNCSA-N 284.230 4.610 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 2334617498 NJONOPCNOVVXPF-KSZLIROESA-N 263.469 4.881 30 10 CJEE CCCCCCCCC[C@@H](C)NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 2335076340 ZSNMOQCJADGRFG-WRQOLXDDSA-N 263.469 4.760 30 10 CJEE C=CCC(CC=C)N[C@H]1CCCCC[C@H]1C(F)(F)F 2335095529 CBHHQOPYKXPEFS-KGLIPLIRSA-N 275.358 4.608 30 10 CJEE C=CCC(CC=C)Sc1nc([C@H](C)NCCC)cs1 2335237048 BUMPHHIYOLWKME-LBPRGKRZSA-N 296.505 4.817 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc(C)c(CC)c1 2336274750 OKGNWXJTRVUWLS-KSSFIOAISA-N 259.437 4.810 30 10 CJEE CCCCCCCCCCOCCC[C@H]1C[C@H]1CN 2337490887 KKBMIDGQWPSDRD-IRXDYDNUSA-N 269.473 4.519 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCC(C)(C)C1 2338727069 HPBMSXYDCSLTPY-DLBZAZTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@H]21 2338733189 PTTLJIIRISLFTK-DDBAPUKQSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(F)cc1C1CC1 2339142839 DEZFLUZFYXESSM-KRWDZBQOSA-N 260.352 4.505 30 10 CJEE CCCCCCCCCC[C@H](O)C#C[C@H]1CC1(C)C 2339567825 MWINWEAINDZRLN-IRXDYDNUSA-N 264.453 4.928 30 10 CJEE C=CCC(CC=C)[C@H](CCC[C@@H]1C[C@H]1C)NCCC 2341486498 DUPHUNPSVJMMDB-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE FC(F)(F)C(F)(F)CCCCC[C@@H]1CCC[C@H]2O[C@@H]12 2342339403 DVDMCIFIDTXAMT-MXWKQRLJSA-N 286.284 4.702 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2343071694 AAUWCJLHPFZNRY-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CC1=C(C)C[C@@H](Nc2cc(Cl)c(F)cc2C#N)CC1 2343427461 WLFQMHCUUSNKJI-LBPRGKRZSA-N 278.758 4.652 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CCC(F)(F)C1 2344341694 DPQMSLJQYVSXOM-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(F)ccc1C(F)F 2344349763 WACDZDPJRJUEDE-DZGCQCFKSA-N 271.326 4.756 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(C)c(CC)c1 2344359233 XSMTWXDWCQTULJ-ROUUACIJSA-N 259.437 4.810 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C1CC(c2ccccc2)C1 2344456925 JSQTYHMDYKUUSG-ZGUYJTEBSA-N 258.405 4.534 30 10 CJEE CCCCCCCCCC[C@H](F)[C@@H]1CC2(CC2)CN1 2344495999 FZTLGSUUJOHPFO-HOTGVXAUSA-N 269.448 4.997 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCCC[C@@H]1C(F)(F)F 2353836420 ZLHACKUPKKWALV-RWMBFGLXSA-N 298.414 4.716 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356189117 AGFQIFQIGNPMQG-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CC[C@H]2C[C@@H]1CO2 2359063171 SSHXDWZVVKACJA-XWTMOSNGSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H]2CO[C@H]1C2 2359543101 WSQSHMOYXADSAL-KSZLIROESA-N 281.484 4.674 30 10 CJEE C=CCC(CC=C)SCC[C@H](NCC)c1ccccc1 2360200395 HJAJTIBWYWIWGP-SFHVURJKSA-N 289.488 4.981 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@@H](C)CC1CC1 2360309407 LRZGTYMLGPYIKB-SZMVWBNQSA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)Sc1c(CN[C@@H](C)CC)ccc(F)c1F 2360363363 IFFTYSNVEYQPGA-RYUDHWBXSA-N 299.430 4.910 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(C#N)cc2)cc1C 20547670 ZCDAVEALWGSSGU-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CC[C@@H](C)N(CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147238 MYLBCGMEOFXIQL-QBPKDAKJSA-N 278.484 4.851 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](n2cnc3cc(C)c(C)cc32)C1 37147264 FHGUUPZGNTYNJY-HLLBOEOZSA-N 281.403 4.544 30 10 CJEE C[C@H](C[C@@H](C#N)Nc1ccccc1Cl)c1ccccc1 43535271 HUMXQZQQVKDTFX-HIFRSBDPSA-N 284.790 4.838 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C(F)(F)F)cc2C#N)o1 49223692 VZDMLOGDVMSLBX-JTQLQIEISA-N 294.276 4.652 30 10 CJEE N#C[C@@H](C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 50038981 MEVDFIIKXQRKTH-SECBINFHSA-N 296.178 4.545 30 10 CJEE CCCCc1oc2ccccc2c1CN[C@@H](CC)CC#N 54183417 LNODWXLFVZGDMT-AWEZNQCLSA-N 284.403 4.557 30 10 CJEE Cc1ccccc1OCCCC[C@@H](C#N)c1ccc(F)cc1 57685570 VBRCAXHDDXCBGI-KRWDZBQOSA-N 297.373 4.991 30 10 CJEE CCc1sc(-c2ccc(OC)c(Cl)c2)cc1CC#N 77097482 FLQFRQOBULVMHP-UHFFFAOYSA-N 291.803 4.706 30 10 CJEE CCC(CC)(CS)CSc1ccc(Cl)cn1 87098997 XRPZKNZIQCMORW-UHFFFAOYSA-N 275.870 4.563 30 10 CJEE C[C@H]1CC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 87994065 KQQCCAOBGBHLIW-FZMZJTMJSA-N 268.385 4.585 30 10 CJEE SCC1(COc2cc(Cl)cc(Cl)c2)CCCC1 94584814 NQIZLBCDLOPVIC-UHFFFAOYSA-N 291.243 4.862 30 10 CJEE CC(C)[C@@H](CS)CSc1nc2ccccc2s1 94588982 INZBRQYZDROUOX-JTQLQIEISA-N 283.487 4.590 30 10 CJEE CCCCCCCO[C@H]1CCCCC[C@H]1NCCC 103981705 FMGUWJQRVJSBCP-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(C(F)(F)F)cc1OC 107476532 SBMXFTGZIVKIGF-VXGBXAGGSA-N 284.321 4.867 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@H]1CCOC1 115761465 QSPHPMXRBKWVDX-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC1(c2cccc(Cl)c2)CNC1 118886168 IVLSPJUPNHWHMO-UHFFFAOYSA-N 279.855 4.932 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 125710529 FDRCJZGNUXKGTM-ZIAGYGMSSA-N 274.795 4.592 30 10 CJEE CCSc1cccc(N(C)[C@@H](C)C(C)(C)C)c1C#N 136649546 QHUZTOCAWSKPML-LBPRGKRZSA-N 276.449 4.541 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc2c1OCCO2 139446942 WCZXCOCIZRIEAW-INIZCTEOSA-N 291.435 4.598 30 10 CJEE C=C(C)CC[C@H](NCCC)c1coc2ccccc12 164735050 FRNYNNROEQQMEV-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=C(C)CC[C@H](Cc1cccc(Cl)c1F)NCCC 164740184 IVWLXCOECDLQQP-CQSZACIVSA-N 283.818 4.746 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 164918651 YJIIOMXLFNOGCA-RDBSUJKOSA-N 252.398 4.506 30 10 CJEE CCCCCCCCCCC(=O)Cc1ccc(N)cc1 166806701 WYFOVRFWYYXLOB-UHFFFAOYSA-N 275.436 4.911 30 10 CJEE CC(C)(/C=N/Cc1ccccc1)CCc1ccccc1 196481913 FEOOJEQFJCEXBE-CAPFRKAQSA-N 265.400 4.916 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(Br)c(F)c1 203378526 SADVGLFJIDNPJL-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CCc1ccc(/C=C\C(=O)c2ccc(CC)cc2)cc1 216682077 ZSPWSEAXGWIJAI-KAMYIIQDSA-N 264.368 4.708 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 228818656 IEJJURYJPOHOSR-CABCVRRESA-N 259.437 4.989 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CCSc2ccc(Cl)cc21 228821718 NWSDIHANFXYAOK-SMDDNHRTSA-N 281.852 4.821 30 10 CJEE C=CCC[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229380777 JWFXHJPLXJNATR-NNCLKIPCSA-N 261.453 4.667 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(Cl)cc2C)CC1 232911373 QLIOQJMUBPLIRA-BLDCVEFLSA-N 291.822 4.792 30 10 CJEE N#Cc1cc(F)ccc1SCc1ccccc1Cl 236156876 AWMCTJGQTFNTDX-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE CCOc1ccc2cc(C(=NO)C3CCCCC3)ccc2c1 254806282 OFUCQULANKQDSO-UHFFFAOYSA-N 297.398 4.997 30 10 CJEE CC(C)(C#N)Cc1ccc2oc(C(F)(F)F)cc2c1 260062351 DJCSSZJXOUQZJL-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CC(C)(C)c1nc2ccc(C(C)(C)CC#N)cc2s1 260737076 YWYSCWMJUOSVMX-UHFFFAOYSA-N 272.417 4.785 30 10 CJEE Cc1ccc(/C(O)=C/C=Nc2cccc(C)c2)cc1 263629589 CCKAJWYAJHKEMP-RKRLNGQISA-N 251.329 4.605 30 10 CJEE CC(C)[C@@H](Nc1ccc(C#N)c(F)c1)c1ccccc1 307921649 DWXBTIBLLYLBQM-QGZVFWFLSA-N 268.335 4.507 30 10 CJEE CCNCC1(CC#CC(C)(C)C)CCC(CC)CC1 317124126 DDUZZNLPUGNINN-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=CCCCCN[C@H]1CCCc2sc(Cl)cc21 379772678 RQWCEBMXABSBTF-LBPRGKRZSA-N 269.841 4.725 30 10 CJEE C#C[C@@H](N[C@H](CCCCC)c1ccccc1)C(C)C 381652854 DSNVDSLVWHEGBT-QZTJIDSGSA-N 257.421 4.555 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@H](C)c1ccc(Br)cc1 385003567 MHXGXRYXIKHAAJ-LALPHHSUSA-N 292.220 4.883 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cc2ccccc2o1 389080882 CZGALYVSNNXYGL-CYBMUJFWSA-N 257.377 4.686 30 10 CJEE CCCCCCC[C@@]1(C)[C@H](C)C(=O)N[C@@H]1CC(C)C 399669190 NVHHOIGYMHXPRI-INMHGKMJSA-N 267.457 4.534 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnsc1 404588908 HNHUJGCTLOKTCX-AWEZNQCLSA-N 254.443 4.544 30 10 CJEE CC(C)c1ccc([C@H](C)NCC2CCC(C#N)CC2)cc1 442092940 YKGKLWPGSRDPGI-GTPINHCMSA-N 284.447 4.791 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(c1ccc(F)cc1Cl)C(C)C 466873073 NSAHIMSHRSWNSD-GFCCVEGCSA-N 297.801 4.823 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 561089500 MAWLCERIDZSHIS-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE C#CCCCCC[C@@H](O)c1csc2ccccc12 686682649 GNONMJZAWAIGFA-OAHLLOKOSA-N 258.386 4.518 30 10 CJEE CC(C)(COc1cccc(Cl)c1C#N)c1ccccc1 686732019 HPERHHLMVJGPMP-UHFFFAOYSA-N 285.774 4.568 30 10 CJEE CCCCCCC[C@@H](CCCOC(C)C)NCC 689541906 HKMTWISHDNXOIL-INIZCTEOSA-N 257.462 4.530 30 10 CJEE Cc1c(Cl)cc(N[C@H]2CCCC[C@H]2C#N)cc1Cl 690267562 IVWUICDSGPTOHV-HZMBPMFUSA-N 283.202 4.796 30 10 CJEE CCCC(CS)(CCC)CN1[C@H]2CC[C@H]1CC(C)C2 692948525 MMKYNDYFSBBVEE-HOTGVXAUSA-N 283.525 4.766 30 10 CJEE CN(CC1(CS)CCCCCC1)C[C@]12CCCC[C@H]1C2 693724750 KMYNITSYDMUZKR-FUHWJXTLSA-N 295.536 4.769 30 10 CJEE CCCCCCCCCCCCn1cc(N)c(C)n1 697696555 BOFGSMQITMKFMM-UHFFFAOYSA-N 265.445 4.695 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(C)c(C#N)c1 700720557 YAFCUSFHKAOYNS-QGZVFWFLSA-N 292.426 4.667 30 10 CJEE 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10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc2cnsc12 2344359197 XQGDJOIAOHHRHS-HZPDHXFCSA-N 274.433 4.549 30 10 CJEE CC1(C)CC(CS)(COC[C@H]2CC23CCCCC3)C1 2345007760 FWMNYYNHFLLIHE-CQSZACIVSA-N 282.493 4.710 30 10 CJEE C#CCCCCCCCOCc1cnc(Cl)c(C)c1 2353114957 IRAZYTJSHVULDG-UHFFFAOYSA-N 279.811 4.534 30 10 CJEE C=C(C)CCCCC(=O)c1cc(C(C)(F)F)ccn1 2353237979 GWVHEAFTUXXRCU-UHFFFAOYSA-N 267.319 4.513 30 10 CJEE CCCC1CC(CNc2ccc(C#N)c(SC)c2)C1 2353824562 DHDKLXYAYZPUIC-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE CCC1CCC(CN(C)C[C@H](CS)CC(C)C)CC1 2353832992 YERNPHZNKRCIHN-OFLPRAFFSA-N 285.541 4.727 30 10 CJEE CCCCCC1CCC(c2ccc(C#N)nc2)CC1 3014606 GKTJBVJNMLHRDS-UHFFFAOYSA-N 256.393 4.807 30 10 CJEE CC1=C(Cl)C(=O)C(C(C)C)=C/C1=N\c1ccc(C)cc1 4920629 HFOGLNNCSKNXNQ-XDJHFCHBSA-N 287.790 4.745 30 10 CJEE CC(C)(C#N)c1ccc(NCc2ccc(Cl)s2)cc1 36922149 QLXQQTXIYWILMR-UHFFFAOYSA-N 290.819 4.815 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(C(C)(C)C#N)cc2)c(C)o1 36922343 HQHJIXARBZSUGE-CYBMUJFWSA-N 282.387 4.871 30 10 CJEE CC[C@H](CC#N)Nc1ccccc1Oc1ccccc1 36987133 TZBGYUGSSDHTFC-CQSZACIVSA-N 266.344 4.583 30 10 CJEE Cc1ccc([C@H](Nc2ccc(F)c(C#N)c2)C2CC2)cc1 51635956 VICSPXFJHHEGEF-SFHVURJKSA-N 280.346 4.569 30 10 CJEE CCCCc1oc2ccccc2c1CN[C@H](CC)CC#N 54183418 LNODWXLFVZGDMT-CQSZACIVSA-N 284.403 4.557 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 54823338 DVZHGWDINFKKBU-CPCISQLKSA-N 289.593 4.751 30 10 CJEE CCc1ccc(Nc2c(C#N)cnc3c(F)cccc23)cc1 64438814 UXZSOLHYHJLKBT-UHFFFAOYSA-N 291.329 4.552 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCC(C)(C)C2)C1 70259022 LKNYRMGEXXNTHP-IXDOHACOSA-N 290.495 4.853 30 10 CJEE Cc1c(OCC(C)C)ccc(C(=O)/C=C/c2ccco2)c1C 83193563 OBFUHVILYFOXPZ-VQHVLOKHSA-N 298.382 4.827 30 10 CJEE CCn1nc(C)cc1CC1(C#N)CCC(C(C)(C)C)CC1 89230723 AQDJCLHEYGJPPU-UHFFFAOYSA-N 287.451 4.500 30 10 CJEE CC(C)c1ccccc1Oc1cccc(F)c1C#N 93406765 KKDCXOHHXNVBIG-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE C[C@@H]1C[C@H](OC[C@@H](CS)C(C)(C)C)CC(C)(C)C1 94583969 CCTIQNWLDLNOQV-RDBSUJKOSA-N 272.498 4.810 30 10 CJEE CCC1(C(=O)[C@H](C#N)c2ccc(F)cc2Cl)CCCC1 94902842 GRGXVYMEQHMHEI-CYBMUJFWSA-N 293.769 4.626 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ccccn1 105686118 ZKAYHMWYRAQKCW-UHFFFAOYSA-N 276.424 4.941 30 10 CJEE C#CC[C@H](CCC)c1cc(C)c(C)cc1Br 107479867 VABZMVXEAACAEB-CYBMUJFWSA-N 279.221 4.973 30 10 CJEE CCCCCCCCCCOc1ccccc1CCN 109762791 LIEXFKXOBCJUTG-UHFFFAOYSA-N 277.452 4.707 30 10 CJEE C[C@@H]1CCC[C@H](Sc2ccc(C#N)c(Cl)c2)C1 110354419 VEKKFBXHBXFSQR-PWSUYJOCSA-N 265.809 4.882 30 10 CJEE CCCCCCCCCCN(C)Cc1ccccc1N 110368993 OHBGAVVPUBTCTN-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CCCCCCC[C@H](O)c1cccc2cnccc12 111849434 XNFRKFKPNAYQCS-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 114877061 AHXDFEMOGFKLMZ-QWHCGFSZSA-N 266.347 4.831 30 10 CJEE CCCCCCCCCN1CC(C)(C)NCC1(CC)CC 115228081 ZHHQWHGKHPZWNL-UHFFFAOYSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1COc2ccccc2C1 115845908 XUSUDUGUJKOTNX-QZTJIDSGSA-N 289.463 4.576 30 10 CJEE CCCCCCCC[C@@H](N)[C@@](C)(CC)N(CC)CC 118156164 VBVSHYFBZMYMEX-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CCOc2ccccc21 123063966 HIMUFQDVHBNDIQ-JKSUJKDBSA-N 275.436 4.631 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1c(F)cc(F)cc1Cl 124192137 RWLJHBSOYKSBCZ-NOZJJQNGSA-N 284.737 4.503 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2coc3ccccc23)CC1 124302568 BDYMCAUHFJZBND-INIZCTEOSA-N 283.371 4.576 30 10 CJEE CCCCCCC[C@H](NN)c1cccc2ccsc12 124380472 IWMMZVFROMYPTA-HNNXBMFYSA-N 276.449 4.766 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@H](N)CCCC2 124402511 QOTYWRRTWYUUPQ-QGZVFWFLSA-N 262.441 4.575 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccn([C@H](C)CC)n1 124898210 BABOGXOQZSPCJI-SJLPKXTDSA-N 294.483 4.898 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(F)c(F)c1 125445478 SIYPFALZSKWNQL-INIZCTEOSA-N 284.394 4.610 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(F)c1Cl 125688201 CJZCTDHFAQWAOB-CQSZACIVSA-N 269.791 4.876 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(Br)c1C 125690440 BJYKAISDCOFTRS-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(F)cc2C#N)cc1C 126234208 IBKNXJQVSXFVLK-CQSZACIVSA-N 282.362 4.796 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129932922 HGJXIKNFAUAHOI-PBHICJAKSA-N 277.452 4.674 30 10 CJEE Cc1ccc(Sc2c(F)cc(C#N)cc2F)c(C)c1 134026991 HCNMXGUBOGVTSP-UHFFFAOYSA-N 275.323 4.605 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(F)c1)c1cccs1 135245135 BWNQFMBAVKSMAO-CQSZACIVSA-N 274.364 4.712 30 10 CJEE Cc1cc(C)cc([C@@](C)(O)C2(C#N)CCCCCCC2)c1 148728717 FUCZXFHTBLXXBQ-GOSISDBHSA-N 285.431 4.765 30 10 CJEE CCCCCCCCCCC[C@@H](N)C1CCOCC1 165022869 XOMWWUPYSIUZTJ-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE O=C(/C=C/c1cccc2cnccc12)c1coc2ccccc12 180933336 DWYZCYIRNGGSEH-CMDGGOBGSA-N 299.329 4.877 30 10 CJEE CN(Cc1ccccc1)[C@@H](C#N)c1cccc2ccccc12 213052608 KSMYVNPYMZNOMP-FQEVSTJZSA-N 286.378 4.536 30 10 CJEE Cc1c(Cl)cc(Br)c(C)c1C(C)(C)C#N 219092164 RASPQTKTSYEYMS-UHFFFAOYSA-N 286.600 4.521 30 10 CJEE CCCCCCC[C@H](NCC)c1cncc(OC(C)C)c1 229143867 CAJUWNARBIXGKB-SFHVURJKSA-N 292.467 4.880 30 10 CJEE C#C[C@H](CCC)N[C@H](CCCCC)c1ccccc1 229928467 KAUWNXLKBIJZCA-QZTJIDSGSA-N 257.421 4.700 30 10 CJEE CCCCCCCCCCNC[C@H](O)C(CC)CC 230476920 NKGRBVVJUIABQT-KRWDZBQOSA-N 271.489 4.514 30 10 CJEE CC(C)(C#N)CCCCO[C@@H]1CCCc2ccccc21 232517650 DNGRBBVQNSDDEO-QGZVFWFLSA-N 271.404 4.801 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@H]1SC 232935599 URZLLTZKODYQFY-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1Cc2ccccc2S1 233606371 GZEBKJIMHCCNLT-SJLPKXTDSA-N 289.488 4.818 30 10 CJEE C=CCCCCC[C@@H](NC)c1sccc1CC 234147078 AGVQSRLGBSUGSJ-CQSZACIVSA-N 251.439 4.708 30 10 CJEE C=CCCCC(CCCC=C)NC(=O)OC(C)(C)C 238120463 QDAZNEXGYVAZNK-UHFFFAOYSA-N 267.413 4.592 30 10 CJEE CCCCCCCCc1ccc(C(=NO)C(C)=NO)cc1 254608038 NRGVGJHEGRMMJH-UHFFFAOYSA-N 290.407 4.618 30 10 CJEE N#CC1(c2cc(F)c(F)c(-c3ccccc3)c2)CCC1 260574476 OFLSOIOVEYDPTQ-UHFFFAOYSA-N 269.294 4.577 30 10 CJEE CC(C)(C#N)C[C@@H]1CCCC[C@H]1[C@H](F)C(F)(F)F 261164132 WXOQGYCCBZHAFZ-AXFHLTTASA-N 265.294 4.633 30 10 CJEE FC(F)(F)[C@@H]1CCN(CCCCCCCCCS)C1 311948697 MCUWHVOFOUAQRR-CYBMUJFWSA-N 297.430 4.531 30 10 CJEE CCCCCCCCCCC[C@H](Cc1csnn1)NC 312680491 ZNOAHNBZYWNPRG-OAHLLOKOSA-N 297.512 4.590 30 10 CJEE C=C([C@H](NCC)c1ccccc1C(C)(C)C)C(F)(F)F 312793497 HROPYVQKBRPXEY-AWEZNQCLSA-N 285.353 4.753 30 10 CJEE C[C@@H](CC1(C=O)Cc2ccccc2C1)C1CCCCC1 316923300 DLNYVHYEZKKIOC-HNNXBMFYSA-N 270.416 4.577 30 10 CJEE C=C(C)CC1(CNCC(C)C)CCCCCCC1 318380942 OZXHWLUKDFLLKP-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCCCCCCN(CCN)[C@H](C)CC 380299666 SIYQYKUQBDOYCH-GOSISDBHSA-N 284.532 4.967 30 10 CJEE CCCCCCCC(=O)CC(=O)[C@@H]1CC2CCC1CC2 381531559 PNAWWGMAUXVXCG-VMBOVVBDSA-N 278.436 4.702 30 10 CJEE N#CC1(C[C@@H]2CCCCC2(F)F)Cc2ccccc2C1 382059131 GHVAHEOXKBLVQD-HNNXBMFYSA-N 275.342 4.511 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1nc(C(C)(C)C)cs1 384877949 QBNYDTXCEGVTPD-LRDDRELGSA-N 276.449 4.703 30 10 CJEE CSC(C)(C)C[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 395352328 JCHHEBGZVFATQD-UUCFBXCCSA-N 297.508 4.625 30 10 CJEE C=CCCC[C@H](NCC)c1csc2c1CCCC2 399807159 KBOZQVLXCRWATE-HNNXBMFYSA-N 263.450 4.634 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccc(C)cn1 400601931 HGNVJLQKRMRCNI-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H](CC)CC(F)(F)F 402701335 IGCCHVLKUXUJKX-CHWSQXEVSA-N 282.394 4.548 30 10 CJEE Oc1ccc(-c2ccccc2)cc1/C=N/c1ccccc1F 642772809 ODLXMOLKUZEEME-FYJGNVAPSA-N 291.325 4.949 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2ccccc2s1 686697911 WNOOUQORUWVOSS-HNNXBMFYSA-N 271.429 4.746 30 10 CJEE C=C(C)CC[C@H](NC)C1CC(C)(C)CC(C)(C)C1 688323974 YCFYFDWHRNYWAE-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC2CCC1CC2 692222875 VEPCZXCDMBDEAA-QEXNXIHPSA-N 261.453 4.537 30 10 CJEE CC1(C)CCC[C@H](/N=C2/NC3(CCCCC3)CS2)CC1 697622572 GLDLGYSWOHIXEG-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=CCCCNc1cc(Cl)c(Br)cc1C 697728804 BYUSYWPRPRMSMF-UHFFFAOYSA-N 288.616 4.789 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(CCCC)cc1)C(C)(C)C 702247539 SGGJIMVFRMRERZ-YJBOKZPZSA-N 271.448 4.728 30 10 CJEE CCCCCCCCC[C@@]1(N)CC[C@H](C)SC1 704865840 CCALUWPCKYZKAR-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CC[C@H](CC)CC2)CC1 724547589 QKOJTYXCKWFAKQ-XIRDDKMYSA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)CC[C@H]2CNCC)CC1 724616752 MRDPOFQXFMENJX-NJAFHUGGSA-N 263.469 4.785 30 10 CJEE CC(=NNc1ccc(C)cn1)c1ccc(Cl)cc1Cl 727259382 BTKQXHQYEJMAGJ-UHFFFAOYSA-N 294.185 4.533 30 10 CJEE C=C(C)CCC(=O)N(C1CC1)C1CC(c2ccccc2C)C1 1126673951 GYTNQZNYJVCIBJ-UHFFFAOYSA-N 297.442 4.588 30 10 CJEE C=CC1(CC(=O)Nc2cncc3ccccc23)CCCCC1 1127209590 FUBSRDJDQGWHGC-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CCC1(C(=O)N2CCC[C@H](C3CCC3)C2)CCCCC1 1147999279 PKRSOPSIIHUWTA-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE C=CCCC(C)(C)NCc1ccc(-c2ccncc2)cc1F 1179232796 SRAKFYJYZSCTLL-UHFFFAOYSA-N 298.405 4.722 30 10 CJEE C=CCC[C@@H](CC)NC[C@@H]1CCCCC(F)(F)C1 1205931720 HBDDQZWMMFNDSR-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE Cc1c(C(=O)OC2CCCCC2)sc2ccc(C#N)cc12 1264185260 DESFGCGFMIVUSN-UHFFFAOYSA-N 299.395 4.571 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CC)c1ccc(Cl)s1 1265210110 MEOHYZSYUKNILQ-SNVBAGLBSA-N 285.840 4.571 30 10 CJEE C=C(C)CCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 1307495624 PDIVNBZLHAUGOM-ROUUACIJSA-N 257.421 4.529 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccccc2C(C)C)c1 1307576543 XCOKZFVQBPYANM-UHFFFAOYSA-N 277.411 4.818 30 10 CJEE C=CCCCN(CC)C[C@@H]1CCC2(CCCCCC2)O1 1308133348 DPHIURBUFMADDF-KRWDZBQOSA-N 279.468 4.547 30 10 CJEE C=C[C@@H]1CCCCN1[C@@H]1C[C@H](C)Sc2sccc21 1308726661 KJXRXEYJZKKKEJ-OUCADQQQSA-N 279.474 4.714 30 10 CJEE C=CCC1(C(=O)OC[C@H]2CC=CC[C@H]2C)CCCCC1 1348915682 ZFQLAQAGDNXBIV-HZPDHXFCSA-N 276.420 4.659 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)c(F)c2)CCCCC1 1351638878 AUGZJJSRXDORKT-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc(C(C)(C)C)c1 1360895001 NUUNSJJZGUBFHI-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE C=CCCC(C)(C)CNC(=O)C1CC(C)(C)CC(C)(C)C1 1462035974 FHAZFJPKHCQMGZ-UHFFFAOYSA-N 293.495 4.948 30 10 CJEE C=CCCCCC[C@H](C)NCc1nc2c(s1)CCCC2 1462569000 VROSWFJBGQUBAK-AWEZNQCLSA-N 292.492 4.637 30 10 CJEE C=CCC[C@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 1465196268 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2277806319 HKXQJGKVQGDXKN-UHFFFAOYSA-N 280.770 4.727 30 10 CJEE CCCCCCCC[C@H](NC)c1c(C)nn(CC)c1Cl 2281401379 NRVIEBKLNGSPDZ-AWEZNQCLSA-N 299.890 4.876 30 10 CJEE CC[C@@](O)(CC=CC#CC(C)(C)C)c1ccc(C)cc1 2284071031 NTJYOSZYGOMULV-LJQANCHMSA-N 270.416 4.588 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(C)o1 2284101832 XTSYAHBOYCJXSY-INIZCTEOSA-N 273.420 4.625 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCCC12CCC2 2284182570 FVCDYGPZDGXPAZ-SJORKVTESA-N 273.464 4.541 30 10 CJEE C[C@@H]1C[C@H]1CCCCCC1(C#N)Cc2ccccc2C1 2284970078 IBWQGPVQADBFQX-HZPDHXFCSA-N 267.416 4.902 30 10 CJEE C=CC1(CN[C@H](C)c2ccc(F)cc2C)CCCCC1 2285176423 OITFVZCAZOOTJP-OAHLLOKOSA-N 275.411 4.921 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc2c1CCCC2 2285260825 GBGUPWGNJUBTRR-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2CCC[C@@H]2C(F)F)C1 2285550065 JIOSOOHOOUSTSQ-KGLIPLIRSA-N 285.422 4.782 30 10 CJEE C=CCN(CCCCCCCCCCO)C1CCCC1 2286796449 YTOULEAFHSZJLA-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CCCCCCCC(=O)c1c(C)cc(OC)cc1OC 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283.500 4.920 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(OCF)cc1 2295941931 QAGCVYZOXKRDEQ-QGZVFWFLSA-N 281.415 4.917 30 10 CJEE CCCCCCCC[C@]1(C)C[C@H](O)C[C@H](C)S1 2298821876 PRNQSWYQOLJUQB-RRFJBIMHSA-N 258.471 4.772 30 10 CJEE C=CC[C@H](C)Sc1sccc1CNCC(C)C 2298943639 VUXGSVHVFHGJOE-LBPRGKRZSA-N 269.479 4.550 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1csc(CC)c1 2304021462 ICYSQMVLTNPTKQ-CABCVRRESA-N 251.439 4.563 30 10 CJEE C=C([C@H](O)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2306253698 JLZBFBCQWIHMSG-LBPRGKRZSA-N 277.166 4.768 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C[C@@H]1CC[C@H]1C(F)(F)F 2312205212 NBJTVSQWZLRIMF-RVMXOQNASA-N 259.315 4.685 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312874654 KQIIJMFJTDNMEU-QZWWFDLISA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1(C)CCCCCCC1 2316730653 RYMYSVAAULHZEF-MRXNPFEDSA-N 250.426 4.866 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2 2316779416 HHCBIUNWXQOEJY-MWDXBVQZSA-N 250.426 4.700 30 10 CJEE CC(C)C[C@@H](C#N)C(=O)c1c(Cl)cc(F)cc1Cl 2318332498 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55014928 DIVTYOZXKJVJLP-INIZCTEOSA-N 270.763 4.715 30 10 CJEE CC(C)C(=O)c1ccc(SCc2ccc(C#N)cc2)cc1 58016459 LSKGCNLXPZIHSO-UHFFFAOYSA-N 295.407 4.689 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 59187858 KTQQREZMYIEESW-ARFHVFGLSA-N 251.414 4.692 30 10 CJEE CSc1ccc(/C=N/c2ccc(C)cc2C)cc1 59514038 OIYIXEXVQQAZOQ-GZTJUZNOSA-N 255.386 4.776 30 10 CJEE N#C[C@@H](C(=O)c1coc2ccccc12)c1ccc(Cl)cc1 70392290 VPOPZKHHCZGEAE-CQSZACIVSA-N 295.725 4.576 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2ccccc2)c(C)c1C 83193524 GNMZPGFLNONKRL-ZRDIBKRKSA-N 294.394 4.988 30 10 CJEE O=C(/C=C\c1ccccc1)/C=C/c1ccc(Cl)cc1 83306840 PZAALISHZLYIHV-QRBCZBMESA-N 268.743 4.636 30 10 CJEE SCC1(CSCC2CCCC2)CCCCC1 87098765 POWXVQBTJSMVBB-UHFFFAOYSA-N 258.496 4.790 30 10 CJEE Cc1ccc(OCC2(CS)CCCCCC2)cc1C 94582884 SEFVKJSICSHHRZ-UHFFFAOYSA-N 278.461 4.953 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C)c2ccccc2n1 97816820 UIGKOZJPFKSDMJ-SFHVURJKSA-N 282.431 4.940 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2ccc(C)c(C)c2)c(F)c1 103030773 MYBQVMBNKXSTDE-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE O=C1/C(=C\c2ccccc2Cl)CC[C@@H]1C1CCCC1 104376409 FMJQRRQLNYXDNK-QKXCFHHRSA-N 274.791 4.893 30 10 CJEE C=CCCc1cc(OCCC)c(OCCC)cc1F 107489343 FQMLRHSPJDYQIZ-UHFFFAOYSA-N 266.356 4.522 30 10 CJEE CCCCCCCO[C@H](CNC)c1ccccc1Cl 110067984 GNAIPLINKIZMNL-MRXNPFEDSA-N 283.843 4.588 30 10 CJEE Cc1cc(C)c(C#N)c(Sc2ccc(C(C)C)cc2)n1 110354025 REUYZWNOLOQZKF-UHFFFAOYSA-N 282.412 4.845 30 10 CJEE CCCCCCCC[C@H](O)CSc1ccccc1 115648263 OMQAMWVRBUYFAE-HNNXBMFYSA-N 266.450 4.890 30 10 CJEE CCCCCCCCCCCCn1c(CN)cnc1C 115673992 CBYIQPOBMYEXNC-UHFFFAOYSA-N 279.472 4.571 30 10 CJEE CCCCCCCCCCC(=O)C1(CN)CCCC1 123350194 YQVVNDUKCIUZCB-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(Br)ccc1C 125672730 LVMFQAPDWQMQGA-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CSc1cccc(NCc2ccc(Cl)s2)c1C#N 127060850 GNESTZOEQRBDES-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@]1(C)CCCCO1 127567636 YZTHXWJNJZQFQK-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](OC)C1CC1 129461207 PDADXEQWAJHDCR-SJORKVTESA-N 269.473 4.530 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129932468 HGJXIKNFAUAHOI-RHSMWYFYSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)Nc2cccc(F)c2)CC1 130048402 XEIJFHVJUZKFKY-KVULBXGLSA-N 288.410 4.982 30 10 CJEE C=C(CNc1cccc2c1CCCC2)c1ccccc1 148002520 UMKHIMGYMADNPX-UHFFFAOYSA-N 263.384 4.691 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 156121911 WMVQVHQZJRMLHQ-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC(F)F)cc1 158166247 JZIZRLQAFAFQPV-AWEZNQCLSA-N 271.351 4.648 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1cccc(C(F)(F)F)c1 158968968 ZRLYGJJNPCTTOG-MRXNPFEDSA-N 299.380 4.686 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)c(F)c1 160506068 PSTGEOMAHOSQRN-LLVKDONJSA-N 288.753 4.548 30 10 CJEE C[C@@H]1CC[C@@H](Nc2cccc(C#N)c2)c2ccccc21 163677068 YVISJWOTWBUHCV-FZKQIMNGSA-N 262.356 4.609 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)C1CCCC1 167858130 MITAQLRHUWVAEK-ZDUSSCGKSA-N 253.267 4.503 30 10 CJEE O/N=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1 221636807 BAOBNLDSPZIJFY-FMQUCBEESA-N 273.335 4.580 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cccc(C#N)c1 227634166 LFIBGIGUASWGPK-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@@H](CS)C(C)(C)C 232549426 BMTAKNRNOHQUNC-INIZCTEOSA-N 287.557 4.973 30 10 CJEE CC(C)Cc1cccc(C(=O)C2=CC[C@H](C)CC2)c1 232635860 BYUGTHXJRHFSMX-AWEZNQCLSA-N 256.389 4.814 30 10 CJEE CCCc1c(-c2ccc(C)cc2Cl)sc(C#N)c1N 233398611 DMVQYUWPZLZKKL-UHFFFAOYSA-N 290.819 4.783 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(Cl)c(F)c2)c1C#N 235251690 PUYVWEILVDYVQJ-LLVKDONJSA-N 288.753 4.832 30 10 CJEE Cc1cc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1C#N 250953107 IXDVOWYTOZQAAQ-JEBQAFNWSA-N 271.404 4.706 30 10 CJEE N#C[C@]1(Cc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@H]1C2 252817300 KZYRNDUSBBPJJI-YDHLFZDLSA-N 279.305 4.578 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253089855 HJBJUHNUHPEFPM-IPMKNSEASA-N 295.511 4.753 30 10 CJEE CC(C)(C)C[C@H](C#N)COc1ccccc1C(F)(F)F 260225880 FULPDQDFLKFKIA-LLVKDONJSA-N 285.309 4.660 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 312447142 CCTOJESTORINNL-CQSZACIVSA-N 282.309 4.568 30 10 CJEE C=CCCCCCCNc1nnc(Cl)c2ccccc12 312495304 WWHKCSSPYQTKNA-UHFFFAOYSA-N 289.810 4.832 30 10 CJEE CC[C@H](C1CCC1)N(C)CC1(CS)CCCCCC1 325735290 WXVRJVWPZNYYEA-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE CC(C)(C)C#CCC(=O)c1ccc2sccc2c1 386397812 HFELLWOKQUZJRU-UHFFFAOYSA-N 256.370 4.524 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1 393793476 GSIZLHKMWJYJCL-CMPLNLGQSA-N 272.219 4.999 30 10 CJEE C=CCO[C@H](C)CNC1CCCCCCCCCCC1 394337224 YZBOYHMDMBPTKU-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CC[C@@H](OCC(CC)(CC)CS)c1ccccc1 403311851 YAHBDNGMXJUFEZ-OAHLLOKOSA-N 266.450 4.891 30 10 CJEE C#CCCCCCOc1cc(C)c(Cl)c(C)c1 686677043 CQHOCORKVYTBSF-UHFFFAOYSA-N 250.769 4.529 30 10 CJEE CC1(C)CCCC[C@H]1/N=C1/NC2(CCCCC2)CCS1 687319682 GGXDBYUQFOYUTL-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@]2(O)CCCC2(C)C)C1 688338997 SDDVLCBXNXWZLH-SFHVURJKSA-N 277.452 4.674 30 10 CJEE CCSc1cccc(N=C2N[C@](C)(CC)CCS2)c1 690176539 WNYWGOGCKDAZME-OAHLLOKOSA-N 294.489 4.681 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@H]2C[C@H]21 691655342 IPFJNHAFJDHAJX-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nccc2ccccc12 692233754 DOYFFZVXSZIJFN-NVXWUHKLSA-N 266.388 4.782 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](CC)CN 696168654 GQEJZOWMNVQLLL-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@H](N)Cc1csc(C2CC2)n1 698878845 NECMVOVDDKNJJZ-CQSZACIVSA-N 280.481 4.641 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ncccc2C)C1 701360798 WHSZQYIEGZKIGE-RBSFLKMASA-N 274.433 4.591 30 10 CJEE CCCCCCCN[C@H]1CCc2sc(Cl)cc21 703749357 WOOHCJYTEBDIHG-LBPRGKRZSA-N 271.857 4.949 30 10 CJEE CCCCCCC[C@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2 704464368 FTNAKAMZGJTSER-XIRDDKMYSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCOc1c(F)cc(F)cc1C=O 708394126 PATCUNLEXJHMGV-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE SCC1(CN2CCC(C3CCCC3)CC2)CCCCC1 708822003 IUNUMJADBIMEMY-UHFFFAOYSA-N 295.536 4.769 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 710619474 VEMOBGRLWNMBCH-RRFJBIMHSA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCCc2ccccc21 710689285 OHLQFEYPHWSDDH-SFHVURJKSA-N 291.866 4.649 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CC(C)(C)OC2(C)C)CC1 711323798 OROYPWBOWHLWKP-UUCFBXCCSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1ccns1 716029674 JNBRPDOUGRTZQP-QWHCGFSZSA-N 254.443 4.543 30 10 CJEE CCCCCCCC[C@@H](CCOC1CC1)NCCC 716861548 SXKMESKUJBKOHT-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCCC(C)(C)NCc1ccccc1C(F)(F)F 717920129 NXEAICKYPFVFPT-UHFFFAOYSA-N 271.326 4.540 30 10 CJEE C=C1CCC(C[C@H](O)C2CCCCCCC2)CC1 724541158 JRPUKFDMGVHDKN-KRWDZBQOSA-N 250.426 4.844 30 10 CJEE C=C1CCC(CC2(CN)CCC(C(C)C)CC2)CC1 724595587 SXQCWYJGMMVNKN-UHFFFAOYSA-N 263.469 4.914 30 10 CJEE C=C1CCC(C[C@@H](N)c2cscc2C(F)F)CC1 724608186 UKURJGDAQFBGMF-CYBMUJFWSA-N 271.376 4.822 30 10 CJEE Cc1c(SC(F)(F)F)ccc2scc(CC#N)c12 725314239 HREFSABOLLCGSA-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)/C(C)=C\C(C)(C)C 791865492 RMBMPJVOMPFQCM-VBKFSLOCSA-N 285.431 4.584 30 10 CJEE CCCCCCCCC(=O)N(CC)c1ccccc1 1124337080 NXWSMIANMWVFDO-UHFFFAOYSA-N 261.409 4.790 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(C)CCCCCC1 1126063344 OHVLJZRNODDDAB-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC(C)(C)c2ccccc21 1127623198 SMZGFFCSVGTQFP-OAHLLOKOSA-N 285.431 4.693 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1128087577 MLJYKBHUULUESZ-IAGOWNOFSA-N 299.458 4.605 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](CCC)CC(C)C 1131970395 BYLCICHIPRLWJW-HNNXBMFYSA-N 267.457 4.557 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1NC(C)C 1146978272 SZEICWGMAWORMK-LBPRGKRZSA-N 294.826 4.701 30 10 CJEE C=CC[C@@H]1CCN(Cc2c(C)c(C)c(C)c(C)c2C)C1 1174891294 RWSBGPOGSYJNRP-GOSISDBHSA-N 271.448 4.627 30 10 CJEE C=CCC1(NCc2ccc(F)cc2C)CCCCC1 1175371782 MAHNJAYTIRGOAE-UHFFFAOYSA-N 261.384 4.503 30 10 CJEE C=C1CCC(CNCc2ccc(C(F)(F)F)c(C)c2)CC1 1179541317 JHPVGLKMUHDJEN-UHFFFAOYSA-N 297.364 4.850 30 10 CJEE C=C(CC)CN(CCCCCC)Cc1ccc(C)o1 1197979378 ZOTHHYFIQFPYQM-UHFFFAOYSA-N 263.425 4.937 30 10 CJEE C=CC(C)(C)CC(=O)N1c2ccccc2CC[C@@H]1C(C)C 1266500063 BWPWZWXGSJLFEE-MRXNPFEDSA-N 285.431 4.593 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2csc3ccccc23)C1 1308201849 CPSUYYRULINHGS-UKRRQHHQSA-N 271.429 4.736 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(C(C)(C)C)cc1C 1349059469 ZMUPIAFKLFSVJM-UHFFFAOYSA-N 260.377 4.554 30 10 CJEE C=CCC(CC=C)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1350169400 KFNOKEXZCDOFCW-UHFFFAOYSA-N 299.458 4.711 30 10 CJEE C#Cc1cccc(NC(=O)[C@](C)(CC)CCCCC)c1 1357411821 CNOHBOKGUHIZTM-GOSISDBHSA-N 271.404 4.603 30 10 CJEE C=CCCC[C@H](C(=O)O[C@H]1CC[C@@H](C)C1)c1ccccc1 1435773661 DWMDNGMJBWTKSY-NJAFHUGGSA-N 286.415 4.858 30 10 CJEE C=CC1(CC(=O)NCC2(C3CCC3)CCC2)CCCCC1 1436611368 WDWWEJPJTGZQSC-UHFFFAOYSA-N 289.463 4.600 30 10 CJEE C=C(CC)CNC(=O)c1cc(-c2ccccc2)ccc1Cl 1436737684 YKWZBIZQPYBOHP-UHFFFAOYSA-N 299.801 4.703 30 10 CJEE C=CCCC1(CNc2ccc([N+](=O)[O-])c(C)c2)CCCC1 1458485894 XSSZHPNJCUWZOW-UHFFFAOYSA-N 288.391 4.842 30 10 CJEE C#CCCCCC(=O)O[C@H](CC)c1ccc(Cl)cc1F 1458623426 LPEJBHROZCBWOJ-OAHLLOKOSA-N 296.769 4.667 30 10 CJEE C#CCCCCCCN1CCC[C@H]1[C@H](C)c1ccccc1 1460821234 VSDISFUCVBRENF-QUCCMNQESA-N 283.459 4.838 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2cc(Cl)cc(Cl)c2)C1 1461120886 PQRSENVDTPXYSW-MLGOLLRUSA-N 298.257 4.870 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCCC3)C1 1462422233 UAFNEQLEGWYLFU-IXDOHACOSA-N 261.453 4.824 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 1474255382 JLZSKNHVBPLPBQ-JZTRKIHISA-N 295.470 4.740 30 10 CJEE C=CC[C@H]1N(C(=O)NCC[C@@H](C)CCC)CCCC1(C)C 1479195665 GQDKPSJGHUAJSL-JKSUJKDBSA-N 294.483 4.589 30 10 CJEE C=C[C@H](CC(=O)N(CC)[C@@H]1CCCC[C@H]1C)c1ccccc1 1520458476 KHBOSLQRANHVOZ-ZHALLVOQSA-N 299.458 4.774 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC=C2 1538889972 HPRSDSIAPAOYGK-QFBILLFUSA-N 295.426 4.511 30 10 CJEE C=C[C@H](C(=O)N(C)c1ccc(C)c(Cl)c1)c1ccccc1 1565686223 CKODSDSHSSBTRI-INIZCTEOSA-N 299.801 4.581 30 10 CJEE C=C[C@@H](C(=O)N1CCC[C@H]1CC1CCCC1)c1ccccc1 1583181050 YHZWDLIHLWVYIA-RBUKOAKNSA-N 297.442 4.528 30 10 CJEE C=C1CCC(C(=O)OCc2ccc([C@@H](C)CC)cc2)CC1 1583524096 QUAAPPUOXJNUKO-HNNXBMFYSA-N 286.415 4.990 30 10 CJEE C=CCCCCNC(=O)c1ccccc1Oc1ccccc1 1585771640 JOVNBVLQZMMILU-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=C[C@H](OC(=O)C[C@H]1CCCC[C@@H]1C)c1ccccc1 1586194887 QDJHXODNFYQYDN-UAGQMJEPSA-N 272.388 4.673 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1cc(Cl)sc1Cl 1587345303 NOSPRSYPJSABMQ-QMMMGPOBSA-N 293.215 4.700 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCc2cccc3cccc1c23 1610946986 ZTXULXKEYYYCBF-KDOFPFPSSA-N 293.410 4.546 30 10 CJEE N#Cc1ccc(SC2CC3(CCC3)C2)c(Cl)c1 1613628004 UBUXLKWRYJSZBH-UHFFFAOYSA-N 263.793 4.636 30 10 CJEE Cc1cccc(C)c1C#Cc1cc(C(F)(F)F)ccc1F 1614825241 DMAKWTBYOKTJCS-UHFFFAOYSA-N 292.275 4.861 30 10 CJEE C=CCC[C@H](NCC1C[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1 1616737998 IWXJUXRMUDZPIR-ZACQAIPSSA-N 291.385 4.575 30 10 CJEE C=CCCCC[C@@H](C)NCc1c(C)oc2ccccc12 1621229403 CMBNSCDYQYDLAX-CQSZACIVSA-N 271.404 4.966 30 10 CJEE C=C(C)c1cccc(NC(=O)c2oc(SC)cc2C)c1 1627394729 DVKWJMAADMWOIW-UHFFFAOYSA-N 287.384 4.595 30 10 CJEE C#CCCCCCCN1CCc2ccccc2[C@H]1CC 1641792247 ZQABSPFZJLTTOV-LJQANCHMSA-N 269.432 4.580 30 10 CJEE N#Cc1ccc(SCCCC2CC2)cc1C(F)(F)F 1643819488 SWGVGTLHBDWNDW-UHFFFAOYSA-N 285.334 4.859 30 10 CJEE C=C(CC)CN[C@H](COc1ccccc1F)c1ccccc1 1653055334 FWCCKSMLDYBKPU-GOSISDBHSA-N 299.389 4.502 30 10 CJEE C=C(CC)CN1CC[C@H](Cc2ccc(C(C)C)cc2)C1 1653182598 DGZHAECIIRYGBE-GOSISDBHSA-N 271.448 4.641 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)CC1CCCCCC1 1657027813 BHSZTLNGZBTYMY-UHFFFAOYSA-N 287.447 4.654 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 1665199675 XBCLKBNGUASBPS-ZDUSSCGKSA-N 297.414 4.789 30 10 CJEE C=CCC1(NC(=O)Nc2cc(C)ccc2F)CCCCC1 1665607977 VWNQLQQAWWEGMO-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1cccc(Cl)c1F 1667134807 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CCC[C@@H]1CC[C@H](CNCC)[C@H](CC#C[Si](C)(C)C)C1 2187469201 XBGGXJZUADZVIU-KZNAEPCWSA-N 293.571 4.699 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)[C@@H]1CCC[C@H](CC)CC1 2187477238 UOOZKBBPZBBDID-RCCFBDPRSA-N 293.571 4.842 30 10 CJEE CC[C@](O)(C1CCC(C)(C)CC1)[C@]1(C#N)CCC1(C)C 2188515324 CCOJXGOCMKMZRJ-ROUUACIJSA-N 277.452 4.674 30 10 CJEE CCc1ccc(C#N)c(NCC2CCC3(CC2)CC3)c1 2188846342 GYIPTHHIQIBMAC-UHFFFAOYSA-N 268.404 4.503 30 10 CJEE CC(C)C(CC[C@]1(C=O)CCc2ccccc21)C(C)C 2189255876 MBBMEZDUIIHQEG-IBGZPJMESA-N 272.432 4.778 30 10 CJEE CC#CCCCCC1(CNC(C)C)C[C@@H]2CC[C@H](C1)S2 2196173239 AEZXJVMCUPAKJB-JWTNVVGKSA-N 293.520 4.613 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)c1cscc1CC)C1CC1 2196847829 IJETWAWQHLPGMC-FUHWJXTLSA-N 289.488 4.791 30 10 CJEE C#CC[C@@H](CC1(CNC(C)(C)C)CCCCC1)C1CC1 2196853835 KHMXCOHYMXYVDD-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)C1(C(F)(F)F)CCCCC1 2196855717 DSROJQKUGWQMSU-KGLIPLIRSA-N 289.385 4.527 30 10 CJEE Cc1ccc(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)cc1C#N 2199344051 QAEZPJDAZMLCGB-CGTJXYLNSA-N 268.404 4.638 30 10 CJEE CC1(C)CCC(=NO)[C@@H](OC[C@@H]2CCCC(C)(C)C2)C1 2203206169 AYLXJHKCLRFUBF-HIFRSBDPSA-N 281.440 4.628 30 10 CJEE CCCCCC#CC[C@H](NCC)C(CC)(CC)OCC 2203792195 OWBDCQKYXMMCPK-KRWDZBQOSA-N 281.484 4.534 30 10 CJEE C#C[C@H](NCC1CCC(C(C)C)CC1)C1CCCCC1 2203801533 QURVQHRZDGDJDQ-TVPLGVNVSA-N 275.480 4.621 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1CCC[C@H](C(F)(F)F)C1 2203824150 RYGKBKSOJWZQHU-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCC#CC[C@H](NCC)c1c(F)ccc(F)c1Cl 2203828173 OQNYZDWYOAHEJQ-AWEZNQCLSA-N 299.792 4.853 30 10 CJEE CCCCCC#CC[C@@H](NC)C1CC2(C1)CC(C)(C)C2 2203835925 YAYXNMXYCBBPCB-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE Cc1cc([C@]2(C#N)CCCC[C@H]2C)c(Cl)cc1[N+](=O)[O-] 2204621078 LTXDVKMAUUSEEL-ABAIWWIYSA-N 292.766 4.528 30 10 CJEE CCCCCCCCCCOc1cccnc1[C@@H](C)O 2205291190 XRWFEPSAONSYMT-OAHLLOKOSA-N 279.424 4.654 30 10 CJEE C=CCCCCCC[C@@H](CCC1CC(OC)C1)NCC 2206890709 HSEWZPOQEDGFLU-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC(=O)c1ccc(N)c(F)c1 2207402262 ASIPLAJIVDYXGK-UHFFFAOYSA-N 277.383 4.897 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H](O)CCC(C)C 2207409705 OHCRQSAHKRUWEZ-QZTJIDSGSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCCN[C@@]12CC[C@@](C)(C1)OC2 2207428222 VYOHKYAUIZDBCD-ROUUACIJSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@]12CC[C@@H](C1)[C@@H](C)O2 2207429797 NCHGRAYHWUQJIP-VSZNYVQBSA-N 280.452 4.612 30 10 CJEE C=CCCCCCCCC[C@@H](CC1CC(CC)C1)NN 2207439471 WTXQKRNDGSCDNN-ABHNRTSZSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCNC[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2207442173 OSTGTTXNKGYNIQ-ARFHVFGLSA-N 285.422 4.784 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@]1(C)C[C@@H]1C)NCC 2207445178 ORVROMTXTNTOQC-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCC[C@H](O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2207447433 IMKVHDVGJVHBPT-ATIWLJMLSA-N 276.464 4.946 30 10 CJEE CC[C@@H](CS)CO[C@@](C)(CC)CCCC(C)C 2213741923 XCSKEUFBJFONEJ-CABCVRRESA-N 260.487 4.954 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CC[C@@H]1C(F)(F)F 2217745067 UIMSBOQEGUVGIZ-AVGNSLFASA-N 266.347 4.686 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NC 2218641311 RKTFHKKPVFSPGK-XHDPSFHLSA-N 286.246 4.726 30 10 CJEE C=CCCCCCCC[C@H](CC1CC(F)C1)NC 2220079104 CDAMVAAJIILUIW-UYSNPLJNSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccnc(Cl)c1 2220086916 GWYRXPPWGASWBU-CQSZACIVSA-N 267.800 4.685 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(C)(C)C(F)F 2220092600 LRRKVQBIXANBQZ-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)CCCSC1 2220094088 UPQBXLBAHMCXKA-INIZCTEOSA-N 269.498 4.636 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1CC[C@H]1C 2220519531 IOQHMLPHGSFLAT-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CCC[C@@H](CS)CN1CCCC12CCC(C)(C)CC2 2224830838 ARHQOGBRVFPLFZ-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1 2225310201 CBUPJWBJXQCQHB-LTIDMASMSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCCNCC 2225685807 UKNGGFYKXJFOMT-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2228462496 WYYIMYGVMSBWIK-HZMVEIRTSA-N 284.509 4.877 30 10 CJEE CCCCCCCCOc1c(CNC)sc(C)c1C 2229227451 QHZZXLPLPXETAT-UHFFFAOYSA-N 283.481 4.824 30 10 CJEE CCCCCCCCCCCOC[C@H]1NCC1(C)C 2231076602 PTKAPABGRSZQDM-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCCC[C@H](C#Cc1cccc(Cl)c1)NCCC 2231103020 KATHDRKWHQXDMJ-QGZVFWFLSA-N 277.839 4.640 30 10 CJEE C=CC[C@H](C)Oc1ccc(Cl)cc1CN[C@@H](C)CC 2231568729 ZMASLOBENWCYQT-STQMWFEESA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@]1(C#N)CCCSC1 2231856897 RHCAODMDHBFKII-CVEARBPZSA-N 283.481 4.525 30 10 CJEE CCCCCCCC[C@@H](C)NCCOC(C)(C)CC 2231928379 GNHJWRCCAGDUGM-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=CCCCCCCC[C@]1(CNCCC)CCCCO1 2235523947 KWMVPSPGGSHRHH-GOSISDBHSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C[C@H](C)O[C@H](C)C1 2235531549 ACUUHPZQEDXOAZ-XMTFNYHQSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCCN1C[C@@H]2[C@@H](CCCC2(F)F)C1 2235777512 HEZWUNORWFQQPM-JKSUJKDBSA-N 285.422 4.880 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC1(C)CC(C)(C)C1 2236596844 RGIMCVLQRCHOTH-HNNXBMFYSA-N 282.468 4.883 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C)CC[C@@H]1NCCC 2239510637 OHOPYZAGOGSEHU-XWTMOSNGSA-N 281.484 4.695 30 10 CJEE CCc1cc(Cl)ccc1Nc1cc(OC)ccc1C#N 2240580810 SWDNISOFYWOHSX-UHFFFAOYSA-N 286.762 4.526 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](C)N1CCCCC1 2240642577 OONAFAUYYPZSQF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=C(F)C[C@H](NCCC)[C@@](C)(O)CCCCCCCC 2240653689 JPXRARCMSTUEBN-IRXDYDNUSA-N 287.463 4.730 30 10 CJEE C[C@@H](CC(C)(C)C#N)OCC12CC3CC(CC(C3)C1)C2 2240731244 PXJNCKHOKIDKTO-IILDEKEXSA-N 275.436 4.548 30 10 CJEE CCCC[C@@H](CC)CSC[C@@H](C#N)C1CCC1 2252960867 BVSIRVGVOKFMDD-UKRRQHHQSA-N 253.455 4.876 30 10 CJEE CCCCCCC[C@@H](C)NCc1cnc(SC)s1 2257108170 ZRZDUFNLQLBDGL-GFCCVEGCSA-N 286.510 4.704 30 10 CJEE CCCCCCCC[C@]1(F)C[C@H]2CC[C@H]1C[C@@H]2N 2257316543 RRQBEHMRZPICBN-UGUYLWEFSA-N 255.421 4.593 30 10 CJEE C=CCCCCCCCSC[C@H](O)CC(F)(F)F 2259010850 YYBUJYCVJVBZQI-GFCCVEGCSA-N 284.387 4.560 30 10 CJEE C=CCCCSc1cc(Cl)ccc1CNC(C)C 2259044976 LVPMSTMDWHSNNQ-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCC[C@H](C)CC1 2259192611 IBUQXSHGKPQOTL-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H]1[C@H]2CCC[C@H]21 2263668263 BMLYSWDDCLJLGR-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@@H]1CC(F)(F)C12CCC2 2266258841 CKVNCQHDKINVBY-TZMCWYRMSA-N 267.363 4.922 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1CCC1(C)C 2266288669 GMPNKYMYDXFWTC-OAHLLOKOSA-N 285.541 4.871 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(OC)c1Cl 2268079624 QKCDPCUZRUZOQB-CQSZACIVSA-N 281.827 4.875 30 10 CJEE COc1cccc(C(=O)C2=CCCCCCC2)c1Cl 2268089989 JMODGSWIAUMBBE-UHFFFAOYSA-N 278.779 4.812 30 10 CJEE Cc1cc([C@H](N)CC=CC#CC(C)(C)C)ccc1Cl 2268746772 FZHLKKFCZCMQLB-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1cscc1C 2268749877 FTEXCNPVXJSWNB-INIZCTEOSA-N 275.461 4.703 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CCCC(C)C 2268754848 MWYJYKAPORPDCV-QGZVFWFLSA-N 263.469 4.787 30 10 CJEE CC[C@@H](C[C@H](N)CC=CC#CC(C)(C)C)C(C)(C)C 2268824539 MPWBYLARSINJJY-JKSUJKDBSA-N 263.469 4.772 30 10 CJEE C[C@@H]1C[C@H]1CCCCCOc1ccc(C#N)c(Cl)c1 2269387626 RPQVJGLAWGVKID-CHWSQXEVSA-N 277.795 4.807 30 10 CJEE CCCCCCC[C@@H](O)c1c(F)ccc(OC)c1Cl 2271133384 REEIYKAIUONLEY-GFCCVEGCSA-N 288.790 4.882 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@](C)(F)C(C)(C)F 2271796228 DMIRTVJPKMQLHC-HOCLYGCPSA-N 275.427 4.967 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccc2sccc2c1 2271833406 PBFPQGAMHOJZCO-OAHLLOKOSA-N 274.433 4.542 30 10 CJEE CCCCCCCCOCC1(N)CC(C(C)(C)C)C1 2274101078 ZGUYMXUCIVBCOD-UHFFFAOYSA-N 269.473 4.517 30 10 CJEE CCCN[C@H]1CCCC[C@@H](CC#CC2CCCC2)C1 2274147301 YIYGJOHETVFDLB-ROUUACIJSA-N 261.453 4.519 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(N)CC#CC2CCCC2)C1 2274171393 NDCXKKSMKPZDDS-FUHWJXTLSA-N 261.453 4.504 30 10 CJEE C=C1CC(C[C@@H]2[C@@H](NCC)C(C)(C)CCC2(C)C)C1 2274532427 UPNBHZRZBBDEOL-HZPDHXFCSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@@H](CC=C(C)C)OCCN 2276365659 NKOBHPMJVXPITA-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1cscc1F 2276503678 LQCSZFZMIRLEIM-OAHLLOKOSA-N 287.444 4.654 30 10 CJEE C=CCC[C@](C)(CCCCCCCCC)OCCN 2277290730 QLFMPUHSJXLXQN-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CN(CCCCCCCS)C[C@@H]1[C@H]2CCCCC[C@H]21 2277506052 HFPOXBLBPPWBIC-FVQHAEBGSA-N 283.525 4.625 30 10 CJEE Cc1ccc(CNc2cc(C)c(C#N)c(C)c2)cc1Cl 2280567990 ZXVZNDFFORIURD-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE Cc1cc(N[C@H]2CCC3(CCCC3)C2)cc(C)c1C#N 2280577072 NBNMIFRXAKOXBM-HNNXBMFYSA-N 268.404 4.700 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCCC[C@H]1C(C)(C)C 2284075170 DBXIQCROWXILNX-LPHOPBHVSA-N 276.464 4.950 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1CCC2(CC1)CC2 2284095396 MGVKTLOEJZIHOT-QGZVFWFLSA-N 273.464 4.541 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(C)c(Cl)c1 2284096095 QHHOCJIVKJWBND-KRWDZBQOSA-N 289.850 4.905 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@]1(C)CCCCC1(F)F 2284175501 KHYGOOMJMAAIHC-GOEBONIOSA-N 283.406 4.525 30 10 CJEE COC[C@@]1(C)C[C@@H]1CC1(C#N)CCC(C(C)(C)C)CC1 2284646305 IGVMMLCJUVTEMN-CQDXFGNVSA-N 277.452 4.795 30 10 CJEE N[C@]1(C#CC2CCCCC2)CCCCC12CCCCC2 2289710689 IMLPMZBJHKXLAP-IBGZPJMESA-N 273.464 4.792 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@H](CC)CC(F)(F)F 2289873548 FBULNYIQEDKSFK-CABCVRRESA-N 289.385 4.527 30 10 CJEE CC1(C)CCC(C)(C)[C@](O)(C#Cc2cccc(Cl)c2)C1 2290262357 IHFBOOBAHOCBEV-SFHVURJKSA-N 290.834 4.659 30 10 CJEE CC(C)[C@]1(C)CSC(=N[C@H]2CC(C)(C)CCC2(C)C)N1 2290304385 GAJIRCXPSYKJDP-GUYCJALGSA-N 296.524 4.698 30 10 CJEE C=CCCCC[C@@](CCC)(OCCC(=O)O)C1CCC1 2291479249 ZBIUZSPSTUGEOP-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@@]1(OCC(=O)O)CC[C@H]1CC 2291708150 OSXIFHAEIYHZOD-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@@H](C)[C@H]1C 2292892851 MHTRXSXOBYKJEX-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@H](OCCN)C(CCC)CCC)CC1 2292910108 UVVRDNOXYCGFRB-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=C(C)C[C@@]1(OCCCN)CCC[C@@H](C(C)(C)C)CC1 2293052457 VVFSDPIWOUIXER-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)OCCCN 2293251610 MGGRVGFPLVOOJH-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCS[C@H](C)C1 2294001042 RDGFJQICQNTNOM-SJORKVTESA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCC[C@@H](CC)CC1 2294032180 HXCKBPPWUUIUGO-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C([C@H](OCCCN)C1CCC(C)(C)CC1)C(C)(C)C 2294276716 YNMPWAPGXHCCSX-INIZCTEOSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@H](C)CC[C@H]1C 2294348115 JAJJBAYFGOHQHL-KURKYZTESA-N 283.500 4.907 30 10 CJEE CN(Cc1ccsc1C#N)[C@H]1CC(C)(C)CCC1(C)C 2294712925 JSIRILWVOOJHAZ-HNNXBMFYSA-N 290.476 4.656 30 10 CJEE C=CC[C@](C)(Nc1ccc2ccc(Cl)cc2n1)C(F)F 2295009062 OUVSACFRGNECEQ-HNNXBMFYSA-N 296.748 4.900 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)C(C)(CC)CC 2295207490 TUJLXOWNSNDLOP-KRWDZBQOSA-N 291.866 4.886 30 10 CJEE CCCCCCC[C@H](NN)c1cc(Cl)c(C)cc1OC 2295364073 BDMAXLYQZGWGDC-HNNXBMFYSA-N 298.858 4.522 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](CC(F)(F)F)CO1 2295534263 PQPGCUYTVVXLLX-KBPBESRZSA-N 295.389 4.784 30 10 CJEE C=CC[C@H](C)Sc1cccc(Cl)c1[C@H](C)NC 2298934662 BODNEUYLQQTSPT-QWRGUYRKSA-N 269.841 4.677 30 10 CJEE FC1(F)C[C@@]1(CS)CSCc1ccccc1Cl 2306940490 GIUJZISPFVOHET-LLVKDONJSA-N 294.819 4.528 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCC(C)(F)F)NC 2321118866 VQYKMGCKCSDEMP-KGLIPLIRSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1C[C@@H](F)C1 2327229058 UGBJUPZFFJAYIZ-XHSDSOJGSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CC[C@H]1SC 2328237409 HLXVUZCWWNMIMV-HZPDHXFCSA-N 269.498 4.729 30 10 CJEE CCC(=NOCc1cccc(Cl)c1)c1ccc(C)cc1 2330246250 ZXPFUZFXLWIAHL-UHFFFAOYSA-N 287.790 4.979 30 10 CJEE CC(=NOCc1ccccc1)c1ccc2c(c1)CCCC2 2330454510 OVCCQQPMCRPQGK-UHFFFAOYSA-N 279.383 4.506 30 10 CJEE C=CCC[C@@H](C)[C@H](C[C@@H]1C[C@H]1C(F)(F)F)NCCC 2331590790 DBLXCBZJBPKATM-RQJABVFESA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1cccc(F)c1 2335103559 NOAHDJRVLRUUMY-BBRMVZONSA-N 281.440 4.564 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](C)CC1CC1 2335214036 XUXJBEVEYYIKMB-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE CC(C)[C@H]1CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2338160450 YKKATRFPVPBPHB-CQSZACIVSA-N 294.851 4.566 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1c(C)cc(C)cc1C 2338679577 ZJVQEZDPIIMNQA-GOSISDBHSA-N 257.421 4.554 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1C[C@H]1C1CCCC1 2338732750 LQZPEKSJMXONBL-BZSNNMDCSA-N 261.453 4.559 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2338794811 IBXAVLNJYHQOCX-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)ccc1C1CC1 2341794377 FPNQDCXCTPCMOE-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COc1ccc(C#N)cc1Cl 2343153906 PXMQAMDVFKPKFD-STQMWFEESA-N 277.795 4.663 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cccc(C(F)(F)F)c1C 2344465696 DIRFKTUCZKCOTG-CYBMUJFWSA-N 272.310 4.650 30 10 CJEE CC[C@]1(C)CCCN(CC2(CS)CC(C)(C)C2)CC1 2345010727 NOIVMVKDWMJNSB-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE OCCCCCCCC#Cc1ccc2sccc2c1 2353038894 ZGLZKALRLKTTCI-UHFFFAOYSA-N 272.413 4.586 30 10 CJEE SC[C@H](COc1ccc2ccccc2c1Cl)C1CC1 2353040392 QMABANTWNWONJO-ZDUSSCGKSA-N 292.831 4.828 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@@]2(C#N)CO[C@H](C)C2)c1Cl 2353185498 IRWWWKLYBYHTOS-VPJDZLOFSA-N 298.213 4.724 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354880882 NDGRCYGOEOXHLG-ULQDDVLXSA-N 276.468 4.655 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2[C@@H](C[C@H]1NCCC)C2(C)C 2360205041 JDVCHHSFXFOUGP-QBPKDAKJSA-N 293.520 4.653 30 10 CJEE C=CC[C@H](C)SCC[C@H]1CCCC[C@]1(C#N)NCCC 2360334134 QFNGASMOZJOOOX-GVDBMIGSSA-N 294.508 4.526 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)[C@]12CCCC[C@@H]1C2 2360337208 BBAQVOPOKXWMDL-NJAFHUGGSA-N 293.520 4.799 30 10 CJEE C(=N/c1ccc2ccccc2n1)\c1cnc2ccccc2c1 31560240 UHMDNXOWWDIULJ-FYJGNVAPSA-N 283.334 4.534 30 10 CJEE CC(C)(/C=N/C1CCCCC1)Sc1ccccc1 39398108 KUGWSLMXYVMWSG-GHRIWEEISA-N 261.434 4.961 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccccc2F)cc1C 57686491 CWPINUYMSFNXGE-INIZCTEOSA-N 297.373 4.909 30 10 CJEE CCCCCCCCCOc1ccccc1/C=C/C(=O)O 59095911 CGIDMGFXNFXMJC-BUHFOSPRSA-N 290.403 4.914 30 10 CJEE CCCCCC[C@H](C)Oc1nc2ccccc2cc1C#N 71390576 DWSYCDFNAJBZGX-AWEZNQCLSA-N 282.387 4.844 30 10 CJEE CC(C)COc1cccc(-c2cc(CC#N)c(C3CC3)o2)c1 77083551 VRTHFUHLXGGFMB-UHFFFAOYSA-N 295.382 4.925 30 10 CJEE CCCCN(c1ccccc1)c1nc(C)cc(C)c1C#N 81581573 LOVQHIHEDBDIFA-UHFFFAOYSA-N 279.387 4.508 30 10 CJEE CCCCN(c1ccccc1)c1cc(C)ccc1C#N 81581584 QAAVXQGHXDCMGR-UHFFFAOYSA-N 264.372 4.805 30 10 CJEE CC(C)(C)C1CC(C#N)(c2ccccc2Br)C1 86559356 GVIGEEZAXOLFKB-UHFFFAOYSA-N 292.220 4.667 30 10 CJEE CC1(C)CC(=O)C=C(Cc2ccc(Cl)c(Cl)c2)C1 87322366 RJNSDMZOBILWNJ-UHFFFAOYSA-N 283.198 4.851 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CN2CCC[C@H](C(C)(C)C)CC2)C1 89612716 VFNBSVOKVXTXFL-AOIWGVFYSA-N 293.495 4.530 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CCCC)[C@@H](C)CC 106026471 HRDGECIWWGLDLN-ROUUACIJSA-N 284.532 4.965 30 10 CJEE Cc1cc(Cl)ccc1Nc1ccc(C#N)c(Cl)c1 110253536 DPPTUCRKIQFICS-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCO[C@@H](CN)c1cccc(Cl)c1 112964911 WVRPMYGPKXEILP-INIZCTEOSA-N 283.843 4.717 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@@]1(C)CC 114067679 HLOAJBAOCVIJJF-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCn1cc(CNCC(C)C)c(C)n1 114626154 HXTOKZFORFHHME-UHFFFAOYSA-N 293.499 4.688 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1ccncc1 117692653 UMSHKOQMKJIPEN-GOSISDBHSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(OCCC)cc1 123021382 SNVWBGCYFSRPNC-GOSISDBHSA-N 292.467 4.730 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C2CCC2)cc1 124954428 AUVFAZDELNNCSE-SFHVURJKSA-N 274.452 4.819 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)C1CCCCC1 125656606 RINJYMVLUWLKPR-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cc(F)ccc1F 126746236 BURLJACFNMKGTK-INIZCTEOSA-N 283.406 4.975 30 10 CJEE CCCCCCCOc1ccc(C[C@H](C)NCC)cc1 126863966 ZJWRWJASNKYNIL-INIZCTEOSA-N 277.452 4.576 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(C)c(F)c1 127019461 PMKJKWSXCXYAAC-AWEZNQCLSA-N 251.389 4.755 30 10 CJEE C=C(CC)CNc1ccc2cc(Br)ccc2c1 130830365 MKYDAQXZPYEWOW-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)O)cc1F 132097049 LCADFHXHBBEWST-CYBMUJFWSA-N 268.372 4.618 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc2nccnc12 135353073 UTLQLJGJUBTDHI-QGZVFWFLSA-N 286.419 4.804 30 10 CJEE CCCC[C@](C)(C=O)Cc1ccc(C(C)(C)C)cc1 146030077 NCBVLDXRINOMEP-SFHVURJKSA-N 260.421 4.922 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1ccccc1F 157900517 GYYDUOQXPUAZAD-HNNXBMFYSA-N 265.416 4.707 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(OCC)CCC[C@H](C)C1 158464330 ASVJMSZHBWCAPS-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](N)c1cccc2cnccc12 164314409 BCVSIVVKYOCQSO-QGZVFWFLSA-N 256.393 4.595 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cncc2ccccc12 165033301 XDLDJSRBOZCLRJ-KRWDZBQOSA-N 293.757 4.565 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCO[C@@H]1C1CC1 166168580 RSIBKDAHRGDMMN-MOPGFXCFSA-N 295.511 4.922 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC(C)C 212288936 SQQKYWBBYQMSEW-KSZLIROESA-N 265.485 4.887 30 10 CJEE CSc1ccccc1Nc1cccc(Cl)c1C#N 218919727 CJYBMRDZWXDSOJ-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(Cl)ccc1F 229070863 JYSSEGKANIYAMX-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=CCCCCCNc1cc(C)cc(Br)c1 232067739 IYODGRBDFZGXGR-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=C(CC)Cn1ccc2c(Cl)cc(Cl)cc21 232823910 XQLWMASNBYPSMV-UHFFFAOYSA-N 254.160 4.914 30 10 CJEE CCSc1cccc(SCCC(C)C)c1C#N 233817020 KPACTTBXCBLMFS-UHFFFAOYSA-N 265.447 4.808 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1C[C@H](N)CC 233882469 CNKNSDQGEKRSHE-CQSZACIVSA-N 295.854 4.745 30 10 CJEE C=CCCCCCSc1ccc(N)cc1Cl 236338986 NDDLOGCMANGLGP-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE CCCC1CCN([C@@H]2C[C@H](CCC)CC[C@H]2C#N)CC1 251329192 LBFQOPOARWZAKV-FGTMMUONSA-N 276.468 4.607 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1ccc(Cl)cc1Cl 251633796 FPEGOCQUXUSPIB-IUODEOHRSA-N 297.229 4.823 30 10 CJEE CCCCSCCS[C@@H]1CCCCCCC1=NO 254735653 PFAXDXMDYWZDGM-CQSZACIVSA-N 289.510 4.806 30 10 CJEE CC[C@@H](C#N)CNc1ccc(C2CCCCC2)cc1 258930491 HTKOXCQGHKWPLD-AWEZNQCLSA-N 256.393 4.696 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300514650 AUPRSRNBXWAJGQ-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21 302673015 MFAVAOMNXZFWMU-BFHYXJOUSA-N 259.418 4.565 30 10 CJEE CCCCCCCCCCn1cc([C@H](C)N)nc1CC 312205695 BBKLESJZJHWATO-HNNXBMFYSA-N 279.472 4.606 30 10 CJEE CC(C)(C)C#CC[C@@H]1C[C@@H](c2ccccc2)CCC1=O 312210746 PCKYREGDRNJCGX-DLBZAZTESA-N 268.400 4.579 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C[C@H](C)N 312291781 QCTOPWRTWPRYRW-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CC(C)(C)C#CCC1(CNC(C)(C)C)CCCCC1 318753249 OXVGUUJGTGZBFB-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CC#CCCC1(CNCCC)CCC(CCC)CC1 319313643 POINKIIHKNEZEF-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)c1ccc(Cl)cc1Cl 319978975 XGZUAKOXZYYJDP-CABZTGNLSA-N 256.176 4.893 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1nc(C(C)C)no1 352547724 JKBOCRVQEBGUFW-UHFFFAOYSA-N 299.418 4.657 30 10 CJEE CCCCCCCOCc1cccc(CNC)c1Cl 381766572 XUYVRFVEPNHCMU-UHFFFAOYSA-N 283.843 4.546 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2cc(Cl)ccc21 393831739 DAZQZIMNLUNUEL-SNVBAGLBSA-N 266.797 4.506 30 10 CJEE N#CCc1c(C(F)F)sc2cc(Cl)ccc12 396191653 PMWZEEVZSQBOMV-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] 398107468 AKJNMOYANNGKPU-SNVBAGLBSA-N 284.306 4.689 30 10 CJEE C=CCCC[C@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1F 398108649 WKGZZGWMKSIOLU-VIFPVBQESA-N 286.734 4.544 30 10 CJEE CC[C@H]1CCCC[C@@H]1[C@@H](O)[C@@]1(C#N)CCC[C@@H](CC)C1 401934121 DLXMXNZNPLWBDU-ICUGJSFKSA-N 277.452 4.674 30 10 CJEE N#Cc1cnc2cc(Cl)c(Cl)c(Cl)c2c1Cl 404248335 HJDBSFPHCHESBZ-UHFFFAOYSA-N 291.952 4.720 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C(C)C)[C@@H](C)c1ccsc1 421693545 RZRRHAHIRKTNPG-KGLIPLIRSA-N 279.449 4.648 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 505001420 SVSPAOOOEKSQMC-AEFFLSMTSA-N 298.430 4.602 30 10 CJEE N#CCc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)n1 514263213 OYRUGZQRZOGIRD-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE O=C(/C=C\c1cccc2cnccc12)c1coc2ccccc12 588423132 DWYZCYIRNGGSEH-HJWRWDBZSA-N 299.329 4.877 30 10 CJEE COC1CCC(C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 686362088 DUGIABMILQTOIE-UHFFFAOYSA-N 277.452 4.938 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CCCCC1(C)C 686695742 OZHYRSZIARDYRJ-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC[C@]1(O)CO[C@@H](C(C)C)C1 691258474 NRILWILKGRINND-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE CCCN[C@H](C)c1cccc(S[C@@H](C)CCC#N)c1 695910100 NEAXVSZHASFFKU-UONOGXRCSA-N 276.449 4.532 30 10 CJEE CCCCCCCCCC[C@H](O)C1(C(F)F)CC1 697630861 RJBBSECFLVORLX-ZDUSSCGKSA-N 262.384 4.923 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1csc(C(F)(F)F)c1 703309703 LKCPNUCRWMCJSO-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCc2sccc21 703995946 NZKWSFMSKRFNSY-AWEZNQCLSA-N 263.450 4.708 30 10 CJEE CCCCCCCC[C@@](C)(N)COCc1ccccc1 704492692 CCSLGCQNWNUMDW-GOSISDBHSA-N 277.452 4.671 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC 710615201 GBZHRCCBYASMOB-SOUVJXGZSA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 710642727 CLENCVJLZFLFDS-RRFJBIMHSA-N 271.876 4.817 30 10 CJEE C#CCCCCC[C@H](C[C@H](CC)C(C)(C)C)NC 711176190 DHOAMRZOICTPKE-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCNCC[C@H]1C[C@@H]1C1CC1 712682825 VQLASBLOSFSPMX-DLBZAZTESA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1C[C@H]1C1CC1 712700690 JSNPYYQNJXDHBE-OIISXLGYSA-N 251.458 4.761 30 10 CJEE C=CCCCCCCNC[C@H](C)COCc1ccccc1 719524446 RPJOPNHOGQZALT-SFHVURJKSA-N 289.463 4.565 30 10 CJEE C=C1CCC(CN[C@H]2CCCCC23CCCC3)CC1 724552826 CQVUHFCIPIIEEV-KRWDZBQOSA-N 261.453 4.825 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCC[C@@H](CC)C2)CC1 724587796 BMZWQDZLLSNDEU-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2CCC(C)CC2)CC1 724589788 SCOBGPFFQCOOHA-VMWRSERWSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H]2CCCc3ccccc3[C@H]2O)CC1 724594777 ISTGDLLRJOCAGR-HKUYNNGSSA-N 270.416 4.809 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2sccc2OC)CC1 724596210 HJGHWSBXBHBVIB-CQSZACIVSA-N 279.449 4.544 30 10 CJEE CSc1c(C(F)(F)F)cc(CC#N)c2ccsc12 725315987 FCCIZGFQXNJPBB-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CCCCCCCCCCCCCn1cc(N)cn1 725428646 SDKHELAANMUXSF-UHFFFAOYSA-N 265.445 4.776 30 10 CJEE CC(=NOCCC(F)(F)F)[C@@H](C)C1CCCCC1 777460788 RBYGAZPDCQUSPG-SNVBAGLBSA-N 265.319 4.548 30 10 CJEE C=CCC1(C(=O)NC2CCC(CCCC)CC2)CCC1 1125394051 IQBFWAHXWRQMFF-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 1131970783 TWFKNCKTSZYORO-SFHVURJKSA-N 277.452 4.622 30 10 CJEE N#Cc1ccc(Cl)cc1OCC1CCC2(CC1)CC2 1165850913 OWENXZFVLOFHRH-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE C=C(C)c1cccc(NCc2ccc3ncccc3c2)c1 1179746979 GIDIOGVAPSVTBJ-UHFFFAOYSA-N 274.367 4.880 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCC(F)(F)C1 1258042680 URONESYQYUXPCY-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 1266421975 VAXDMBSUBCWGCO-LGHUBQEGSA-N 283.415 4.557 30 10 CJEE C=CC[C@H](C)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 1307546506 PGRIVTHBBQLWJM-AWEZNQCLSA-N 280.415 4.530 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 1307621132 PCSKZDAXBQIYBU-STQMWFEESA-N 286.444 4.734 30 10 CJEE 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KECVFBVUVUGCHP-AWEZNQCLSA-N 279.383 4.959 30 10 CJEE CCCCCCCO[C@H]1[C@@H](C)C[C@@H](C)C[C@@H]1NCCC 219557836 VBCOLJUBUXPMBX-OWSLCNJRSA-N 283.500 4.776 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 228887978 VKLVQTGVYAWBKY-HZSPNIEDSA-N 288.460 4.907 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 229047096 GENKBVIAGCNORR-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H]1COCC[C@H]1NCCC 232945811 PZVGZWVUEKXIKF-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCCCCC[C@@H](N)c1ccccc1Br 236316112 GHWCCVSBQQNNBS-CQSZACIVSA-N 282.225 4.585 30 10 CJEE C=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC 250576643 ABJQNFUPGHQIMO-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 250805740 FSSQLRWGTHNHAN-BRWVUGGUSA-N 284.484 4.939 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@H]1NC 250811465 HQFIYTOSORDUMY-RCCFBDPRSA-N 283.500 4.776 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 251097374 CQXDJHANPTUPAK-YHUYYLMFSA-N 272.498 4.810 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCC(C)(C)C[C@H]2C)C1 251657379 NUKQBBGSNGXCPC-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE N#CCC1(c2ccc(F)c(-c3ccccc3F)c2)CC1 260725833 YBVVRADOSSUCKP-UHFFFAOYSA-N 269.294 4.577 30 10 CJEE C=C(C)CC[C@H](NC)c1ccccc1OCc1ccccc1 309965856 KZNGLQOCIXVLKI-IBGZPJMESA-N 295.426 4.882 30 10 CJEE CC(C)(C)c1ccc([C@H]2CCC[C@@H](CC#N)O2)s1 311067262 UHVXQJDHNBGJHI-NWDGAFQWSA-N 263.406 4.569 30 10 CJEE N#Cc1ccc(Oc2cc(Cl)ccc2C#N)cc1Cl 311591207 GONYSZHNZRBIQN-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)Cc1ccccc1Cl 312212455 QJRHBVCTDLYOSS-INIZCTEOSA-N 291.866 4.690 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2cc(Cl)sc2Cl)O1 312672667 QOLLMFFEYFAPMR-LDYMZIIASA-N 276.188 4.579 30 10 CJEE N#Cc1sc(N[C@H]2CCCC23CCCCC3)nc1Cl 313078884 PJYAOCDMFJECFR-NSHDSACASA-N 295.839 4.583 30 10 CJEE CCC1CCC(C=O)([C@@H]2C[C@H]2c2ccccc2)CC1 316552469 AKIKQPCRJVVUPV-FFDQMNFHSA-N 256.389 4.576 30 10 CJEE CCC1(CC2(C=O)CCC(C(C)C)CC2)CCC1 316868673 PTZJKCQMALQKHB-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1c(Cl)cccc1Cl 316884463 VVMGPICEAOUEDG-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE O=CC1(Cc2c(Cl)cccc2Cl)CCCCC1 317267431 RXVBJAMJRVVACM-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE CCCCCCCCC[C@@H](NN)C(C)(C)C1CCC1 322647433 WYCJYQRHHRIQKM-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCOCC1CCC(C(=O)O)CC1 380366510 KJDMDDLDMBXUMQ-UHFFFAOYSA-N 284.440 4.645 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H](C)CCCC 380591894 XWDKIBFRSRTNMN-ZWKOTPCHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCOc1cccc(CCN)c1Cl 394273435 WOFOXDQBFFNGRL-UHFFFAOYSA-N 283.843 4.581 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCC[C@H]1C(C)(C)C 398081643 DMXRWIAXABAEFP-ARFHVFGLSA-N 251.458 4.926 30 10 CJEE CC(C)c1ccccc1N=C1N[C@](C)(C(C)C)CS1 398496155 HZLLANJQGVWSIQ-INIZCTEOSA-N 276.449 4.549 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@@H](N)C1(C)C 405297387 PRFXXGQQXJBCBV-GDBMZVCRSA-N 257.437 4.983 30 10 CJEE C=CCC[C@@H](CCC)NCCc1ccc2ccccc2n1 462032768 QDWIEUOCOVEKQE-QGZVFWFLSA-N 282.431 4.502 30 10 CJEE Cc1cc(C(F)F)cc(OC(F)F)c1C(F)(F)F 575666760 YSPZSQKQZYHXFL-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCCCC[C@H](NC)C1CCC(OC)CC1 686353488 LZJCHDPDCDZFBJ-ABHNRTSZSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@@H](NCC)C(CC)(CC)C(F)(F)F 686689179 FHAHSOCPRMMLEO-CQSZACIVSA-N 291.401 4.917 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)C)CCC[C@H](C)C1 686708355 AKKFBWMXIBQOGD-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1ccc(C)cc1 691072719 CUZIRFOGLYFRBT-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@H]21 691780430 VESRMKZQZGRZCX-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CC(C)[S@@](=O)N=C1CCCCCCCCCCC1 693020279 CULBIEGPTREVHL-GOSISDBHSA-N 271.470 4.804 30 10 CJEE CCSc1cccc(N[C@@H]2CCCC(F)(F)C2)c1C#N 695095280 FQSDCUXOLDQMKD-LLVKDONJSA-N 296.386 4.660 30 10 CJEE Cc1cc(OCC(C)(C)C(C)(F)F)c(C)c(C)c1C#N 697029850 XLWVVPMQMGYQPY-UHFFFAOYSA-N 281.346 4.544 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccccc1Cl 701907643 GATXVTPJXUVTOR-LBPRGKRZSA-N 251.801 4.593 30 10 CJEE CCCCCCCN[C@@H](CC)c1cccc(F)c1 703763756 VQGVDBROVCSLKV-INIZCTEOSA-N 251.389 4.837 30 10 CJEE C=CC[C@@H](C=C)O[C@H](C)C(=O)c1ccc(Cl)cc1Cl 706111057 WQJSWWOVAQHTCZ-ZYHUDNBSSA-N 299.197 4.712 30 10 CJEE C[C@@H]1C[C@@H](/N=C2/NC3(CCCC3)CCS2)CC(C)(C)C1 708294117 HWEUXGZZHXBSFI-ZIAGYGMSSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCSC1)NCCC 708738724 SYOHEJJPHGMNSO-CVEARBPZSA-N 271.514 4.858 30 10 CJEE Cc1c(Cl)cc(NCc2cc(C#N)cs2)cc1Cl 709670991 FRUGSMGKMGTDFE-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(C2CC2)cc1 709695088 DOFLUYKSAFNZPU-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(Cl)c1Cl 715720631 OUTKKTQDKQXGMD-IINYFYTJSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 715733572 NODSBGBABLCPSV-PNBKFKSVSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1sccc1Cl 715786325 HYRKKFBQNDUKAO-JQWIXIFHSA-N 257.830 4.654 30 10 CJEE C=CCCCCC[C@H](O)c1cscc1C(F)F 717180319 QBHLHZXDYQQGJP-LBPRGKRZSA-N 260.349 4.856 30 10 CJEE C=C1CCC(CNCC2CCC(C(F)(F)F)CC2)CC1 724441430 YKBWBEBVDBBDTK-UHFFFAOYSA-N 289.385 4.691 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(Cl)c(F)c2)CC1 724549861 QPZFIINFVYLWRN-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H](O)CSc2ccc(Cl)cc2)CC1 724555279 FVJSVSAZTNUWBW-OAHLLOKOSA-N 296.863 4.930 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccc(Cl)cn2)CC1 724574470 CVGXHPRRQTVDBP-KRWDZBQOSA-N 292.854 4.912 30 10 CJEE C=C1CCC(CC(=O)CSc2cccc(C)c2)CC1 724590439 SCPCXTCTAXVQCN-UHFFFAOYSA-N 274.429 4.793 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2C[C@H]2c2ccccc2)CC1 724615031 CQFGROASPPRLAJ-FHWLQOOXSA-N 269.432 4.515 30 10 CJEE CC(=NNc1ccccc1F)c1oc2ccccc2c1C 812459595 CBFDICILPZWKIU-UHFFFAOYSA-N 282.318 4.716 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1ccc([C@H](C)CC)cc1 1127549527 PTTNUQRDIBGFCE-KDOFPFPSSA-N 274.404 4.846 30 10 CJEE C=C(C)CCSc1nccn1-c1ccc(C)c(C)c1 1165257326 IZRCLWYICLFVCL-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C#CCCCCCCN1CCc2cc(C(C)(C)C)ccc2C1 1167270786 OMJWJHMWTPZTHQ-UHFFFAOYSA-N 297.486 4.926 30 10 CJEE C=C[C@@H]1CCCCN1CCCc1cccc2ccccc12 1169864486 QCEHRWGQFMPGJL-LJQANCHMSA-N 279.427 4.813 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(OC(C)(C)C)c1 1179515566 DDUWHPHUCYBBRQ-UHFFFAOYSA-N 289.463 4.946 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)c1cc(C)ccc1OC 1182237535 DJZDJZJZNFWOHW-JKSUJKDBSA-N 275.436 4.789 30 10 CJEE C=C(CC)CSc1cc(CC)c(OC)cc1C 1189892489 QCQJCMLUTRAORJ-UHFFFAOYSA-N 250.407 4.624 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccccc1)C1CCCCC1 1264544715 RXWHGLYKPSWNFE-LJQANCHMSA-N 285.431 4.781 30 10 CJEE C=C1CCC(C(=O)O[C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 1269817803 AFAVZQNYXIRABW-MOPGFXCFSA-N 298.426 4.921 30 10 CJEE CC#CCCCC(=O)Oc1cc(C)c(C(C)(C)C)cc1C 1287982181 DDVQOKSBECRMPY-UHFFFAOYSA-N 286.415 4.700 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCCC1(F)F 1307742569 WCVWMUGECMECSJ-KRWDZBQOSA-N 293.401 4.890 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 1308510687 SEEJUDWGCQQXPT-XSLAGTTESA-N 275.480 4.763 30 10 CJEE C=CCCCN[C@H](C)[C@H](C)c1ccc(CC(C)C)cc1 1308734534 CJUMLJQVJHJJTA-DLBZAZTESA-N 273.464 4.933 30 10 CJEE C=CCC1(C(=O)NC[C@H](c2ccccc2)C(C)C)CCCC1 1350113046 MYQCZGSJYPPVBO-SFHVURJKSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 1358198578 ILTUDJUOQDJKBJ-SFHVURJKSA-N 297.442 4.657 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H]1CC[C@H](C)CC1)c1ccccc1 1360025109 XFLKIEWWFSJEHJ-BHIYHBOVSA-N 299.458 4.821 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCc3c(C)cccc32)CCCCC1 1360165354 MBSFTLQLROTWPP-GOSISDBHSA-N 297.442 4.625 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H]2CCC[C@@H]2CCC)CCCC1(C)C 1436084278 VUDQVTWYRZKFJB-ULQDDVLXSA-N 291.479 4.796 30 10 CJEE C=CCCCN(CC)Cc1ccc(Cl)c(Cl)c1 1459342852 LPXKWSNPYMHJKT-UHFFFAOYSA-N 272.219 4.782 30 10 CJEE C=CCC[C@@H](NCCSC(F)(F)F)c1ccccc1 1459855197 YYAONMOIIKORMN-CYBMUJFWSA-N 289.366 4.537 30 10 CJEE C=C(CC(C)C)C(=O)NC(C)(C)CC1CCCCCC1 1466939169 GWJKCUKRJJETKH-UHFFFAOYSA-N 279.468 4.844 30 10 CJEE C=CC(C)(C)CCNc1ncnc2ccc(C(C)C)cc12 1472840044 WLSIHNNTLLFJOX-UHFFFAOYSA-N 283.419 4.767 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(OCCC)c1 1473638184 REYSOINQQZSCLI-MJGOQNOKSA-N 287.447 4.700 30 10 CJEE C=CC[C@@H](C(=O)O[C@@H](C)c1cccc(C)c1)c1ccccc1 1521058556 IGGHXQHDTFHILX-QFBILLFUSA-N 294.394 4.959 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CC[C@H]2C[C@H]2CC1 1523906306 CTMNPESBUGXAGQ-OSYLJGHBSA-N 283.415 4.570 30 10 CJEE C=CCCCCCCCNC(=O)/C=C(\C)c1cccs1 1527923626 GOPLBJAIAGNUCE-CCEZHUSRSA-N 291.460 4.794 30 10 CJEE Cc1ccc(N=Cc2cc(Cl)ccc2O)cc1Cl 1531841461 TVCUWWNICJYWEI-UHFFFAOYSA-N 280.154 4.758 30 10 CJEE C=CCC[C@H](C(=O)NCC1CCC=CCC1)c1ccccc1 1538442162 LJZGXSNJGBLUFO-IBGZPJMESA-N 297.442 4.599 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCC[C@@H](C)C1 1545006167 KYIBDPNXWRORTO-IAGOWNOFSA-N 279.468 4.846 30 10 CJEE C=CCCCN(CC)[C@@H](CC)Cc1ccc(C)cc1 1559560862 UEBPTGYPERMYFZ-SFHVURJKSA-N 259.437 4.604 30 10 CJEE C=CCN(CCc1ccco1)C[C@@H](CC)c1ccccc1 1560708583 NJAWAPTUVHSIQO-QGZVFWFLSA-N 283.415 4.504 30 10 CJEE C#CCCCCCCNCC(C)(C)c1ccc(C)cc1C 1560854933 NRYYHXIBLVRSCD-UHFFFAOYSA-N 285.475 4.754 30 10 CJEE 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ISELIFBAUDIXDK-UHFFFAOYSA-N 276.468 4.607 30 10 CJEE CCc1ccc(C#N)c(NCC23CCC(CC2)CC3)c1 2188838829 IJJAJRHWRKFGAB-UHFFFAOYSA-N 268.404 4.503 30 10 CJEE CCCCCCCCCCC[C@H](O)C[C@H]1[C@@H]2COC[C@@H]21 2188899532 ZAXYXUFFISGEMG-XLAORIBOSA-N 282.468 4.551 30 10 CJEE C=CC1(CNCc2ccc(C(F)(F)F)o2)CCCCC1 2189506903 RTQAHAYBWROLRV-UHFFFAOYSA-N 287.325 4.525 30 10 CJEE C=CC1(CN[C@@H]2C[C@@H](C)c3ccccc32)CCCCC1 2189512114 KUVPVBOGHMICTQ-CRAIPNDOSA-N 269.432 4.961 30 10 CJEE N#C[C@]1(CC2CCC3(CC2)CC3)CCOC12CCCC2 2190317023 ABFIWUPQAIHUGS-QGZVFWFLSA-N 273.420 4.590 30 10 CJEE C[C@H]1CC[C@@](C)(Nc2ccc(C(F)(F)F)c(C#N)c2)C1 2193277260 ABOMMHWLEMATCE-IINYFYTJSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCN1CCC[C@H]([C@@H]2CCCO2)C1 2195537296 NVLSGANMNHEXIO-ROUUACIJSA-N 281.484 4.628 30 10 CJEE CC#CCCCC[C@H](CSc1cccc(C)c1)NCC 2196170073 RRELYVYHVBJPGZ-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE CC#CCCCCC(=O)c1ccc(F)c(C(F)(F)F)c1 2196211958 YTBPHWGVERBGQM-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE CCCCCCCCN(C)Cc1nc(C(C)(C)C)ns1 2196712053 VBDMQKLJEKYDAK-UHFFFAOYSA-N 297.512 4.628 30 10 CJEE C#CC[C@H](C)CN(C)C1CCC2(CCCCCC2)CC1 2196717029 QZONQEOJIGTHID-KRWDZBQOSA-N 275.480 4.861 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ccc(CC)o1 2197137295 MXKRIALWGPXPMN-SFHVURJKSA-N 269.388 4.596 30 10 CJEE C=CC1(C[C@H](NC)[C@@H]2C[C@H]2C2CCCCCC2)CCC1 2200165979 XBNBDGOSOXNRAZ-KSZLIROESA-N 275.480 4.927 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1C[C@@H]1C1CCCCCC1 2200183740 TVTPWIBNYKEDSI-WBVHZDCISA-N 288.822 4.982 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=Nc2cccc(C3CCC3)c2)N1 2201217159 IULPREVGWATEGA-WBMJQRKESA-N 288.460 4.693 30 10 CJEE CCCCCCCCCc1nc(F)c2c(n1)C[C@@H](C)C2 2202071092 MFDQOPAIAKQKBJ-ZDUSSCGKSA-N 278.415 4.644 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1cc(C)cc(C)c1C 2203075933 WSCRCICLLRQZBE-GOSISDBHSA-N 273.464 4.592 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2 2203785720 QTQZARGKDLNJND-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@H](CCc1ccccc1)NCC 2203792539 QOPYYBBJEYERFP-LJQANCHMSA-N 271.448 4.571 30 10 CJEE CCCCCC#CC[C@H](CCc1ccco1)NCCC 2203829774 XYEGWXGLUZHNRO-QGZVFWFLSA-N 275.436 4.554 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CCCOCC1 2206891875 NOXYMTSGWHIWBE-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@](O)(CCC)C(C)(C)C 2206893298 YZYCSVMHUOXRLR-WMZOPIPTSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H]1CCc2ccccc2C1 2206901623 DCXJMFWZCULDIJ-MOPGFXCFSA-N 271.448 4.645 30 10 CJEE C=CCCCCCC[C@@](CC)(C(=O)O)c1ccccc1 2206988335 CNKDQRBMCQBEKS-GOSISDBHSA-N 274.404 4.946 30 10 CJEE C=CCCCCCCCCCC1(O)CCC(CN)CC1 2207389755 FKMXXLTZFHJUQL-UHFFFAOYSA-N 281.484 4.563 30 10 CJEE C=CCCCCCCCCOC1(C)CCC(NC)CC1 2207395036 BLAMFSTYPBIZGQ-UHFFFAOYSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@](C)(O)c1cc(OC)ns1 2207396486 LSXKYLPKBYDNDI-MRXNPFEDSA-N 297.464 4.666 30 10 CJEE C=CCCCCCCCCCNCCC(C)(C)COC 2207403788 PLANGKWWZPGJQP-UHFFFAOYSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(N)CCC[C@@H](C)C1 2207404090 LXLMQQKSKQUTCO-SJLPKXTDSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1snnc1CC 2207404730 UQMICIKIPOQQEH-CQSZACIVSA-N 295.496 4.797 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1CCCC[C@@H]1N 2207440554 YISFFUDUAUMHSD-SJORKVTESA-N 279.468 4.770 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C1=CC[C@H](CC)CC1 2207447339 WQWKQFYKZODMIX-RYQLBKOJSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](O)[C@](C)(C#N)c1ccccc1 2207452468 YVNVMEPLXWHOKZ-QZTJIDSGSA-N 273.420 4.579 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc(C)c(Cl)c(C)c1 2217665164 GMZRHAPUJMCJIA-XHDPSFHLSA-N 265.828 4.820 30 10 CJEE N#CC1(C[C@@H]2CC[C@@H]2C(F)(F)F)CCCCCC1 2217720266 QCOCIISCFLFIDL-RYUDHWBXSA-N 259.315 4.829 30 10 CJEE CCCCCCCCCC[C@@]1(F)CNCC12CC2 2220822823 GTQDAIYCPJCSGU-MRXNPFEDSA-N 255.421 4.609 30 10 CJEE CCCCCCCC[C@@]1(C)CCC[C@@H](CC#N)O1 2223850126 HXFXDBDHAYIPTM-HOTGVXAUSA-N 251.414 4.978 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@H]1C[C@H](F)C1 2223856825 IELRIDJKPXWVSZ-BZUAXINKSA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1SCC[C@@H]1C 2223867648 IPXOZECDDQBKJV-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE C=CCCCCCCCOc1c(Cl)cccc1CO 2227292113 XEVPOUVLFUPLKV-UHFFFAOYSA-N 282.811 4.738 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCCC12CCCC2 2230500533 YOCLFGROJKQRMW-INIZCTEOSA-N 261.453 4.519 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)c1cccc(Cl)c1 2231035084 WTJFPEIQUWRBCZ-OAHLLOKOSA-N 280.795 4.674 30 10 CJEE CCCCCCC[C@@H](C)NCc1cc(F)cc(F)c1 2231380201 XTUFXJMFWCYJTC-CYBMUJFWSA-N 269.379 4.803 30 10 CJEE CC1(CC(=O)[C@@H](C#N)c2ccc(F)c(Cl)c2)CCCC1 2233402848 DOVNUIKETYPSSW-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE CO[C@@H]1C[C@](C#N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1(C)C 2233748551 VDVUDFGLYRPIDG-DXWTWGPWSA-N 275.436 4.548 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H](OC)C1CCCCC1 2235524754 SYOUJFGQOJMFPU-ROUUACIJSA-N 282.468 4.859 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CC[C@H]1C[C@@H]1CC 2236501691 GKDHDADXXVZODD-ULQDDVLXSA-N 282.468 4.883 30 10 CJEE CSc1cccc(NC[C@@]2(C)CC=C(C)CC2)c1C#N 2237346176 VYIIQXUUXICXGI-KRWDZBQOSA-N 286.444 4.829 30 10 CJEE CCCCCCCCCO[C@@H](c1ccc(C)o1)[C@H](C)N 2239487853 UQOYDCHGHOFNEA-DOTOQJQBSA-N 281.440 4.744 30 10 CJEE C=C[C@H](CCCCC)OCCC(F)(F)CN[C@H](C)CC 2239489219 GOSWYJXZJBXSOK-HUUCEWRRSA-N 291.426 4.551 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)CC1(COC)CCCCC1 2240143106 ZPQADEGACLCVHK-DLBZAZTESA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@H](C)CC(C)C 2240562623 MYZCNGKSOUYWHI-QZTJIDSGSA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cccc2c1CCO2 2240617624 HJUQLAFMZDJMED-GOSISDBHSA-N 276.420 4.580 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc3cc(C)ccc3n2)C1 2241099977 NUUYJGOTBUEKBG-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)C(C)(C)C 2255378653 BXNYSPYQYQPRPO-SNVBAGLBSA-N 285.218 4.900 30 10 CJEE CCCCCCCCOc1nc(Cl)nc(Cl)c1C 2255403308 PAVUVRNZRKAPNX-UHFFFAOYSA-N 291.222 4.831 30 10 CJEE FC1(F)CCCC[C@H]1CSC[C@H](CS)CC1CC1 2256113394 LBDMVEOFSITNLX-STQMWFEESA-N 294.476 4.891 30 10 CJEE N#C[C@H](CSCC1CC2(CCC2)C1)C1CCCC1 2256514404 UOQFRFUXWWWYHP-OAHLLOKOSA-N 263.450 4.630 30 10 CJEE CCCCCCC[C@]1(F)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2258022661 BJYYLOWSRABBPR-LDKKBFSKSA-N 255.421 4.593 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(F)(F)CC[C@H]1NC 2259209891 FCNXHAKFVHMBPV-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H]1CC(C)C 2259237806 PIYUYVBANCRHIJ-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE C=C[C@@H](C)CCN(C)CC[C@H](C)CCCC(C)C 2260384969 FHUHXTLSQXRPAJ-IAGOWNOFSA-N 253.474 4.983 30 10 CJEE CC1CC2(C1)CC(Sc1ccc(C#N)cc1Cl)C2 2260472287 ANCFTGFTSGOTLT-UHFFFAOYSA-N 277.820 4.882 30 10 CJEE C=CCC[C@@H](C)N(C)[C@@H]1CC(C)(C)CCC1(C)C 2261446020 WWNZNEAFXNSUGH-HUUCEWRRSA-N 251.458 4.878 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCCCCS 2263205922 MVUQSYZBRKGAGV-OWCLPIDISA-N 269.498 4.520 30 10 CJEE CCCCCCCCC[C@@](C)(C#N)NCC(C)C 2263669712 JVWCYAJWORJZFO-INIZCTEOSA-N 252.446 4.655 30 10 CJEE CC1CC(C)(C[C@@]2(C#N)CCc3ccccc3C2)C1 2264689626 VHXCISPRSKPPCN-IUPXNIOVSA-N 253.389 4.512 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(F)cc(C)cc1F 2268174760 FAFAJAXSHXTQPB-OAHLLOKOSA-N 267.363 4.800 30 10 CJEE C[C@@H]1C[C@H]1CCCCCNc1ccc(C#N)c(Cl)c1 2269521708 PNHCKLLCFJPIPG-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE N#C[C@@]1(CCCCCCCCCCO)CCCSC1 2271211970 PGEJCGMCIWNSFG-MRXNPFEDSA-N 283.481 4.527 30 10 CJEE COCCCCCCOCCCCCCCCCS 2271411353 JEECPUKORUHUFZ-UHFFFAOYSA-N 290.513 4.870 30 10 CJEE C=CCSc1ccccc1NCc1cscc1OC 2271421186 NHUUHFPYQORCRX-UHFFFAOYSA-N 291.441 4.647 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(C)c1OC 2271656422 CYUPDNZJEYYSSZ-IUODEOHRSA-N 281.465 4.708 30 10 CJEE Cc1nsc(NCC[C@@H](C)CCCC(C)C)c1C#N 2272292526 HZTQMIPGPZMACX-LBPRGKRZSA-N 279.453 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cnc(C(C)(F)F)s1 2273613330 SJHMBZHIWNJGFZ-CMPLNLGQSA-N 288.407 4.508 30 10 CJEE CCC1(CC)CCC(N)(C#CC2CCCCC2)CC1 2273993690 JPUZSTVGICLAFI-UHFFFAOYSA-N 261.453 4.648 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C(C)(C)C(C)(C)C 2274122766 RUPALHOXPMPMRO-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE C=C(C(C)(C)C)[C@@](CCC)(OCCCN)C(C)(C)C 2276573707 XLKVZFCSBMRJGP-QGZVFWFLSA-N 269.473 4.539 30 10 CJEE C=CC[C@](C)(CCCCCCCCC)OCCCN 2276635241 DYKPXJNECKNSJY-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCC[C@@H](C)[C@](C)(CCC(C)(C)C)OCCCN 2277115565 JVJNPZTVWTXBAA-WBVHZDCISA-N 269.473 4.539 30 10 CJEE CCCCCCCCCC[C@](C)(CSC)OCCN 2277355167 YSUZPUUCDWYNTM-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C(C)(F)F 2277359635 VTXZLSJTTGWGJR-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1C[C@H]1COC 2278175486 HJOOYAUFSRWLKN-IKGGRYGDSA-N 270.457 4.551 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](COC)C(C)C 2278242033 YDGFZNIQVRAFKW-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](O)C(C)(C)C 2278245624 WGFIUXYMTHMVMQ-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE CCCN[C@H](CC#CC1CC1)C[C@@H]1CCCCC12CC2 2279618743 GURQUFNIBQBVJK-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@H](C(F)(F)F)C1 2279725063 DETUCYGOVHNATO-XGUBFFRZSA-N 291.401 4.936 30 10 CJEE CC1(C)CC[C@](C#N)(CC[C@H]2CCCCC23CC3)C1=O 2279737165 NQZWEGSOMWVVIH-KDOFPFPSSA-N 273.420 4.636 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CCC12CC3CC(CC(C3)C1)C2 2279868878 ULYFOBIXGXUMNT-SPSMMKBTSA-N 274.448 4.988 30 10 CJEE CCCCCC#CC[C@H](C[C@@H]1CCCC12CC2)NCC 2281328883 YVHRRTHWHIIAKM-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)c2csc(C3CC3)c2)C1 2283080109 CQEHGULFUCGUSF-RDJZCZTQSA-N 289.444 4.769 30 10 CJEE CC(C)[C@@H]1CC[C@H](CN)[C@H](CC=CC#CC(C)(C)C)C1 2284084058 NHQLDXXTPLIRKN-KZNAEPCWSA-N 275.480 4.629 30 10 CJEE CCC[C@@H]1CCC[C@@H](NCC=CC#CC(C)(C)C)CC1 2284182912 KKPIFEVCGNPITF-QZTJIDSGSA-N 275.480 4.931 30 10 CJEE CCSc1cccc(OCC2CCC(C)CC2)c1C#N 2287573938 IXPLYONAAZZASH-UHFFFAOYSA-N 289.444 4.875 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CCCC(C)(F)F 2289684831 ACJNBPNNDAQFEI-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@H]1CCCCC12CCC2 2289702942 GAZHUUMFLAEUSF-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CC(C)(C)c1cccc(C(=O)CC#CC2CCCC2)c1 2289843621 ABZLDQQYDZXEKS-UHFFFAOYSA-N 268.400 4.751 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CC(C)=C[C@H](C)C1 2289844312 LWTMUYBCWNXEJE-KFKAGJAMSA-N 273.464 4.541 30 10 CJEE CCN[C@H](CC#CC1CCCC1)CC12CCC(CC1)C2 2289855110 PMIUXFDDAOBSFX-JLAWEPINSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CC1CC(C)(C)C1 2289882367 PBUAZMWAQPRXJX-GOSISDBHSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@@](C)(OCCC(=O)O)[C@H](C)CC 2291287693 WNTWDLLVAGJLIE-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(CC[C@@H]1C[C@H]1C)OCC(=O)O 2291824217 BMCSXONGYFKWKP-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE C=CCCCC(CC(C)C)(CC(C)C)OCCC(=O)O 2292040706 QUYPIERFGFNRJM-UHFFFAOYSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)C1(C)CC=CC1 2292776101 JBAHWOBEAKSPQY-QGZVFWFLSA-N 279.468 4.603 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC[C@@H](C(C)C)C1 2292793020 YKIQZJALYRFPPS-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCCN)CC[C@H]1C 2292794799 YLYRDSIORZMJDO-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)c1sc(C)c(C)c1C 2293131453 BIIFRIWCPLLNKK-MLGOLLRUSA-N 295.492 4.682 30 10 CJEE CCCCCCCC1(OCCN)CCC(C2CC2)CC1 2293674075 WGBLVERKASNQTM-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@@H]1C1CC1)OCCN 2294113095 FPGMVFMXNXXWOB-KZNAEPCWSA-N 281.484 4.517 30 10 CJEE CN(Cc1ccsc1C#N)[C@H]1CCC[C@H](C(C)(C)C)C1 2294725654 UTFOWIPHVCKMJE-GJZGRUSLSA-N 290.476 4.656 30 10 CJEE Cc1cc(C(F)(F)F)sc1CNc1ccccc1C#N 2295257344 WKDWVPUQIPPESZ-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](CO)C(C)(C)C 2295671585 RVEDTFUOTOKTTH-DLBZAZTESA-N 285.516 4.760 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COCC[C@@H]1CC 2295674526 RXOJPGLLSGEIPK-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCOc1ccc(C=CC(=O)c2ccc(SC)cc2)cc1 2297466656 LBFBXTGIHBGUGI-UHFFFAOYSA-N 298.407 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(C)sc(C)c1C 2304114300 CMHNKTIJBBDMMB-GJZGRUSLSA-N 252.423 4.699 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12C[C@H]1[C@H](C)C2 2308841528 YZSUJZQGGCIVCD-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1[C@H](C)NCC 2313693117 UPHWWYNNZBXVAN-RYUDHWBXSA-N 267.413 4.553 30 10 CJEE 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30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H](C)C1 126810691 VHMXXWVCVLMZQH-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCCCNc1ccn(C)n1 128342785 YWUZFPOYITVMLF-UHFFFAOYSA-N 265.445 4.753 30 10 CJEE C=C(C)C[C@@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 156328141 CYEHPJCIWSCJPJ-HZPDHXFCSA-N 251.458 4.641 30 10 CJEE C=C[C@](C)(CNCCC)Cc1c(Cl)cccc1Cl 158780417 DTOBDRWXKRNPNA-HNNXBMFYSA-N 286.246 4.728 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](C)(CC)OC 163654190 NXOJVHLJHDVLIT-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC[C@H](C)c2ccccc21 163865143 GGWPDRZHFRWTOY-LIRRHRJNSA-N 276.383 4.723 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1nccn1C 166117731 CPUZZOLQRLQLBO-INIZCTEOSA-N 279.472 4.602 30 10 CJEE C=CCCC[C@H](NCCC)C1(OCC)CCCCCC1 167162549 ZEITUANXNONTCQ-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H](OCC)C1CCCCC1 167720887 WTTKYJFEAIZRGW-ROUUACIJSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)CCO[C@H]1C1CC1 168357782 SGTZNFIIGXGSME-OALUTQOASA-N 293.495 4.674 30 10 CJEE 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IWSCSVFGYULTDV-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CC1CC(CS)(COC[C@@H]2C[C@@H]2C2CCCCCC2)C1 2280052875 YESFGHGASZDQEQ-FFDQMNFHSA-N 296.520 4.956 30 10 CJEE CC(C)(C)c1cccc(Oc2c(F)cccc2C#N)c1 2280422033 AXNJBJODJZXCPZ-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE CSc1cccc(OCC[C@H]2CCCC23CC3)c1C#N 2281381135 NKDKVMBGTTYSCV-CYBMUJFWSA-N 287.428 4.629 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C(C)C)CC2)c(F)c1 2281521641 ABMHXCAQIXFSRP-UHFFFAOYSA-N 276.395 4.708 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1(C)CCC(C)CC1 2284176816 FILKNLGSKVUOMJ-TVRKMHQQSA-N 275.480 4.787 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnc(C)n1C(F)F 2284779165 MKQDAHFTRYSAKC-CQSZACIVSA-N 288.382 4.761 30 10 CJEE C=CCCCSCc1cc([N+](=O)[O-])ccc1NCCC 2287070008 DDNHJTQEDTUBNO-UHFFFAOYSA-N 294.420 4.616 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@](C)(O)CCCCCCC 2287388431 RXYGLJKPGSISFY-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CC(C)(C)CCO1 2288001619 XQSCPKCGIMICND-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=C[C@@H](C)CCN(C)c1cccc(Cl)c1[C@H](C)NCC 2288887072 CSTFGCZUEGFQBF-KGLIPLIRSA-N 294.870 4.659 30 10 CJEE CC(C)[C@@H](C(=O)C#CC1CCCCC1)c1ccccc1 2289678466 GMBVWIWPSPETOM-LJQANCHMSA-N 268.400 4.579 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](N)C#CC2CCCC2)CC1 2289685638 DMYSSDMUBCBHOJ-GUDVDZBRSA-N 275.480 4.894 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@]1(C)CC[C@]1(C)N 2289858998 HBWIUTNPBDBTDV-KSZLIROESA-N 281.484 4.562 30 10 CJEE CCCCCC#CC[C@@H](OCCCN)[C@H](CC)CCC 2292843206 MLYHYGUNAKQQCB-QZTJIDSGSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@H](OCCN)c1cccc(F)c1C 2292896736 VGAXODPDMZKIPL-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE C=CC1(C[C@](CCC)(OCCCN)C(C)(C)C)CCC1 2293516064 XMJDMFGTVBEEGO-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H]1CCC[C@@H](C)C1 2294015461 MUTNMDQTNRFHCR-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](CC)(CCC(C)C)OCCN 2294029026 DLCCWDHPMSVHBA-GOSISDBHSA-N 281.484 4.521 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@H](C)CC)s1 2298930338 KQAMSNLIBCVBEG-VXGBXAGGSA-N 269.479 4.693 30 10 CJEE N#CCC[C@@H](N=Cc1cc(Cl)ccc1O)c1ccccc1 2302820859 VOGOJAKANHJUDA-MRXNPFEDSA-N 298.773 4.510 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1sccc1CC 2304047781 DWYBFRCPEGJMMK-HUUCEWRRSA-N 251.439 4.563 30 10 CJEE C[C@H]1[C@H](OCC2(CS)CCCCCC2)CC1(C)C 2318267088 YFKSMNCTQQKMAB-UONOGXRCSA-N 270.482 4.708 30 10 CJEE C=C1CC([C@@H](O)CCCc2cc(Cl)cc(Cl)c2)C1 2318657709 IBTGGYYFCQYKDD-HNNXBMFYSA-N 285.214 4.643 30 10 CJEE CC(C)=CCC[C@@H](C)Oc1ccc(C#N)cc1Cl 2319177462 CEFZJARSWUVWIM-GFCCVEGCSA-N 263.768 4.725 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC(C)(F)F)NCCC 2321103021 WERVFFWXUKCPNK-KGLIPLIRSA-N 261.400 4.782 30 10 CJEE CC1=CCC[C@H](Cc2cc(F)c(Cl)cc2Cl)C1=O 2325192206 DYRLLIGWVOLJAM-SECBINFHSA-N 287.161 4.600 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2333706823 YGNTXRYOBASZNR-ICUGJSFKSA-N 261.453 4.667 30 10 CJEE C=CCC(CC=C)SCc1cccnc1NCCC 2335099700 YIDKSQYQJLPZSG-UHFFFAOYSA-N 276.449 4.658 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCC2)CC[C@@H]1NCCC 2335188201 PCOPCIRZBKQEAJ-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE C=C([C@H](NCC)c1c(F)ccc(C)c1Cl)[Si](C)(C)C 2335580190 DCAHHLNEEOMVNH-HNNXBMFYSA-N 299.893 4.872 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CCCCC12CCCC2 2337112876 FYSWTXDRKWBIGH-ZACQAIPSSA-N 261.453 4.824 30 10 CJEE CC(=CC[C@]1(C#N)CCCCC1=O)CCCC(C)C 2338437050 RXEYVFDLCFJDDD-KRWDZBQOSA-N 261.409 4.802 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC=C(C)CC 2338525435 WGTUCCBZLBJYED-MRXNPFEDSA-N 268.441 4.804 30 10 CJEE Cc1c(C[C@@]2(C=O)CCCC23CC3)ccc(Cl)c1Cl 2338679919 ORXPKEDCFCSYSK-MRXNPFEDSA-N 297.225 4.994 30 10 CJEE CCCCCCC[C@H](O)C(=O)CC1CCCCCC1 2339093760 ZGQWNHRGYAPCEQ-INIZCTEOSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@@H](C#C[C@@H]1CC1(C)C)NCCC 2339565665 ICBUCBKOIIDSEN-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCCCO[C@H](C)CCCCNCC(C)C 2340376622 JVWFMWWLNGOSLH-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc(C)cc1SC 2342321914 QMVKZPUJAVZWFA-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE C=C1CC([C@H](C[C@@H]2CC[C@@H]2C(C)(C)C)NCCC)C1 2343286593 JIEUQUOQNBSHGL-XIRDDKMYSA-N 263.469 4.783 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC[C@@H]1CC[C@H]1C(C)(C)C 2343372072 QXUYUDPIOIFGFF-MWDXBVQZSA-N 263.469 4.783 30 10 CJEE C=CC1(C[C@H](N)c2cccc(C3CCC3)c2)CCC1 2343780823 CISSKIMXKHPMCW-KRWDZBQOSA-N 255.405 4.700 30 10 CJEE C=CC[C@H](C)[C@@H](CCc1ccc(Cl)cc1)NCCC 2344339611 KQHQQLAZHNISDX-WMLDXEAASA-N 279.855 4.853 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)cc(F)c1F 2344344326 IJHRCETVLIMDPG-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)cc(C(F)F)c1 2344377822 DPKBDUZWVYNCJQ-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cccc(Cl)c1C(F)(F)F 2344394501 CZPCXNOAFXWLAW-TVQRCGJNSA-N 291.744 4.832 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccccc1C1(C)CC1 2344422065 WIQADRJWHIKUQU-QGZVFWFLSA-N 256.389 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344475175 GFALGCLCCGXACS-FDPKGLCPSA-N 264.453 4.802 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)C[C@H](C)CC[C@H]1C 2352000615 HACHYTHPXGXSRY-XJKCOSOUSA-N 282.449 4.520 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)c1cccc(C)c1 2352321933 YBGZWEUHITUYME-QGZVFWFLSA-N 279.493 4.804 30 10 CJEE C=CCC(C)(C)[C@H](C[C@](C)(F)C(C)(C)F)NCCC 2353307013 SONMEDPRAYDUDE-BBRMVZONSA-N 275.427 4.823 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]2CC[C@H]1O2 2353906971 OGQQUXOTYZBCIO-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2358670690 ZEBGBAHTTRRRMQ-APAFKAMOSA-N 275.480 4.879 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC[C@@H](C)CO1 2360179516 HBIJIKDZGMOLFY-KURKYZTESA-N 283.500 4.920 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14458323 YMNXTDGKDQRFEI-SCTDSRPQSA-N 286.378 4.693 30 10 CJEE CCC(CC)N(C)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 36789072 DLMAZLFDUUUSQJ-INMHGKMJSA-N 278.484 4.851 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(Cl)s1 50429793 AQPMFPDGQZLLGE-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(F)ccc1F 59261082 FUQQGDLKJDIPNW-CYBMUJFWSA-N 269.379 4.976 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@@H](C(C)C)CC2)cc1 86949121 ZLJIZHQQTPPRNR-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCC[C@H]1C(=O)O 91351549 TZJHJWYLQRLGKS-IAGOWNOFSA-N 297.483 4.608 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccccc2Cl)CC1 91881195 JFAFYZPBASGDOP-PWZRNIHTSA-N 291.822 4.874 30 10 CJEE C[C@@H](NCc1cc(C#N)cs1)c1ccc(C(C)(C)C)cc1 93492399 BOGYOEGALXMGKL-CYBMUJFWSA-N 298.455 4.768 30 10 CJEE CCC[C@H](CS)COc1ccc(Cl)c2cccnc12 94583142 QZZWJBLCIRMAND-NSHDSACASA-N 295.835 4.613 30 10 CJEE Cc1ccc(CSCc2cccc(C#N)c2)c(C)c1 96549533 ABTBQMJUQQTDDN-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CCCCCCCCCNCc1ccc(OC)cc1OC 105839599 HYUKKPAXVBJBIQ-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCCCOCCC[C@H](C)NCCC 106247006 SRXNUWWQHLHXHZ-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(C)c1)NC 109731759 BTTGIPGLLDBAEL-GOSISDBHSA-N 261.453 4.876 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O 110022475 GLTVCTAILPCBDW-CEXWTWQISA-N 290.447 4.671 30 10 CJEE CCCCCCCCOCc1ccccc1CNC1CC1 110171214 TZTGBIQHAWTJGV-UHFFFAOYSA-N 289.463 4.816 30 10 CJEE Cc1cc(Nc2ccc(Cl)cc2C#N)c2ccccc2n1 110251951 QPBGYNXLKHXKSA-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE Cc1ccc2c(c1)CCCN2c1ccc(C#N)cc1Cl 110253490 JQMHIMHDIZMDTD-UHFFFAOYSA-N 282.774 4.604 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(Cl)c2Cl)c1 110253558 NNIUISXYPHONFF-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1ccc(C#N)c(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 110259646 HQEQPUPSALUZTL-YXJHDRRASA-N 271.404 4.706 30 10 CJEE CCCCCCCCCN1CCSc2ccc(N)cc21 110369067 PLSDZGQAAFIIQJ-UHFFFAOYSA-N 292.492 4.932 30 10 CJEE CCCCCCCCN(CC)C1(CN)CCC(C)CC1 111890157 MAYGYCGCGMKKOF-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCn1nc(CN)c2ccccc21 112930561 GEYWATWCYMKMJC-UHFFFAOYSA-N 287.451 4.636 30 10 CJEE CCCCCCCCCCNCc1nc(C)cs1 113011819 ARPRTZCJHLMNPL-UHFFFAOYSA-N 268.470 4.682 30 10 CJEE CCCCCCCCCCN(CCC)[C@@H]1CCCNC1 113282952 CXGOMEJGKGPTJN-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCc2ccccc21 115051314 KTNKXCOIUQLGOK-ROUUACIJSA-N 259.437 4.794 30 10 CJEE CCCCCCCN1C[C@@H](C2CCCCC2)NC[C@@H]1CC 115253947 QYKVOGJWWKLCIA-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC[C@](C)(O)CNC(C)(C)C 116660181 VIPNXWSQOOERJF-KRWDZBQOSA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@@H](O)[C@@](C)(CC)N1CCCCC1 118162351 ZAFPRQSYGXEIKT-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1c(F)cccc1Cl 122243633 QBIWNZIZBMQVNR-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@H]1C 125650287 QTJYIRAWSKJMHK-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE C#CC[C@@H](CC)N[C@H](CC)c1ccc(Cl)cc1Cl 129800686 HDSLOBZFNUQJLJ-IUODEOHRSA-N 284.230 4.836 30 10 CJEE CCCCCCCCC[C@@H](Cc1cc(C)ccc1C)NN 131366042 TVUAXPNRTNPPPU-IBGZPJMESA-N 290.495 4.819 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(Br)cc1C#N 132133390 OPPULYHLRMWLDM-LLVKDONJSA-N 295.224 4.557 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(Cl)c(Cl)c1 132282011 RAAZFNKSCOKYJW-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)OC)NCCC 134492605 JVJSSSKKXWDYQT-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCO[C@H]1CCCCC[C@@H]1O 146322800 GMRCTNQUKZMZMK-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(OC)c1F 156911858 XUDFEUWJWXWVJK-AWEZNQCLSA-N 268.372 4.618 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(OC)cs1 157957304 HPCFSOCIRVVYHT-CQSZACIVSA-N 269.454 4.897 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](OC)C1CC1 158235109 FZSZHKFUVHYSQM-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1ccc(Cl)cc1Cl 158766030 LAVSEILIPRCMDI-OAHLLOKOSA-N 286.246 4.728 30 10 CJEE Cc1cc(C#N)cc(Oc2ccc(Cl)c3ccccc23)n1 161163303 GDBYWASZBFEZQQ-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CSc1ccccc1OCc1ccc(C#N)cc1Cl 162989794 VKIMRKVHJPILCO-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCc1ccccc1Nc1c(C)cccc1C#N 221030199 FZARREUYQRBWLW-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCC3(CCCCC3)O2)C1 229466471 LQIJPHXPZPVIDL-IKGGRYGDSA-N 275.436 4.978 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 232519775 XEMMGMIVDGLDBQ-PMPSAXMXSA-N 252.442 4.946 30 10 CJEE CCCCCCCCCCCCn1cnc(CNC)c1 232920742 GRXHWUDJSFHLAD-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccccc2C(F)(F)F)CC1 235618301 KQWBGNSCRYWSOX-SNVBAGLBSA-N 268.278 4.635 30 10 CJEE C[C@H]1CC[C@H](CNc2ccc(C#N)c3ccccc23)C1 235684939 PFQBVXMLZJBZHO-KBPBESRZSA-N 264.372 4.560 30 10 CJEE CC[C@@H]1CCCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252864717 QBVHIQNUPHMVLX-BSDSXHPESA-N 290.495 4.996 30 10 CJEE CCc1ccc(O)c(N=Cc2c(O)ccc3ccccc23)c1 254350694 QZVUAVRTPDTPFA-UHFFFAOYSA-N 291.350 4.564 30 10 CJEE Cc1cc(C(C)(C)C)ccc1NC[C@@H](C#N)C(C)C 258978402 LXYBTMMGMYILLM-CQSZACIVSA-N 258.409 4.500 30 10 CJEE CC(C)c1cc(C(F)F)c(O)c([C@H](CC#N)C2CC2)c1 260493111 LNORFJPBFTZNDX-GFCCVEGCSA-N 279.330 4.860 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300520251 QHIZMMWCEFIRLB-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2/C=C/CCCCC2)c1 302323484 CLYFBSGVONKKDI-DIECRNLCSA-N 260.768 4.512 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCC(C)(C)CC2)c1 308112308 ZFIMSGNGOKHMTG-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE Cc1cc(Nc2cccc(F)c2C#N)c(Cl)cc1F 311878928 UFNNCKOIMGNZQG-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE N#C[C@]1(Nc2ccc(F)cc2)CCCC12CCCCC2 313039841 PPSXERVWAKMISN-QGZVFWFLSA-N 272.367 4.634 30 10 CJEE CCC[C@H](Nc1cc(C#N)ccc1C)C1CCCC1 313454422 ZTHFYHUVGCCAMU-INIZCTEOSA-N 256.393 4.638 30 10 CJEE O=CC1(CCCCc2ccccc2)CCCCCC1 316588921 NVJWRDTUMMDTNR-UHFFFAOYSA-N 258.405 4.939 30 10 CJEE CCCCCCC[C@]1(CNCC)CCc2ccccc21 317570015 FAQFYWLAXOCSEF-LJQANCHMSA-N 273.464 4.841 30 10 CJEE C=CCC1(CNCCC)CCC(C(C)(C)C)CC1 318773758 NAGWMLBCMJCJGC-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(Cl)cc1)C1CCC1 322492122 YSNQIFZZDRAPFS-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C=CCCCCC[C@H](NN)c1cccc2ccsc12 386507318 BIIYZNWWQZMSGC-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE Cc1cccc(N[C@H](C#N)[C@@H](C)C2CCCCC2)c1 388743701 ARINEOSVTORQNK-WMLDXEAASA-N 256.393 4.516 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2cccc(Cl)c21 393841508 ZQPGIDWOHQFIJR-VIFPVBQESA-N 266.797 4.506 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCCCC2(F)F)CC1 394332742 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699890147 IMGCQCINLNDCDH-CVEARBPZSA-N 297.552 4.871 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CCCC2CCC2)C1 701520806 DSMRGJGLPVHHAG-KURKYZTESA-N 276.468 4.607 30 10 CJEE Cc1c(Cl)cccc1OCc1ccc(C#N)cc1Cl 702662642 WXCYKRNDELSKBV-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCC(=O)c1cccnc1C(F)(F)F 704246703 WAVVFEQZZSIYCB-UHFFFAOYSA-N 273.298 4.644 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCO[C@@H](CC)C1 704969843 DWIBZHHZMQITPN-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cccc2sccc12 705024344 QWOGYEPBMBXFJL-LLVKDONJSA-N 259.374 4.608 30 10 CJEE C=CCCCCNC1CCC(C)(c2ccccc2)CC1 705405327 DHJLZSRXXTXCLR-UHFFFAOYSA-N 271.448 4.833 30 10 CJEE CC1(C)CO[C@@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)C1 708470796 WADAJUWALJIOKU-CQSZACIVSA-N 277.452 4.938 30 10 CJEE CCCCCCCCCCN1CCC[C@@](O)(CCC)C1 710291119 MGEULPPKHOQXKQ-SFHVURJKSA-N 283.500 4.754 30 10 CJEE C=C(Cl)C[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 710480517 SQKFHXPVIIZIEO-IZTSSTLKSA-N 281.871 4.714 30 10 CJEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710815790 ZBFABQXUJFYSIS-QGZVFWFLSA-N 294.439 4.639 30 10 CJEE CC[C@@H](CC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C 711067483 IEWZJMKTHMMQSM-LBPRGKRZSA-N 292.810 4.613 30 10 CJEE C=CC[C@H](C)[C@@H]1CC(C)(C)CC[C@H]1CNCCC 715788282 PHNARYDPGHLKOY-JYJNAYRXSA-N 251.458 4.641 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CC(C)(C)CC[C@@H]3C)C[C@@H](C1)C2 717491885 UPTOTQVFENXXDE-AQDBYXPISA-N 275.480 4.926 30 10 CJEE CC(C)=C(C)CCOc1cc(C)c(C#N)c(C)c1C 718643431 DXJPYNQZYPDCII-UHFFFAOYSA-N 257.377 4.609 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 724291210 WELZPBUDICGXDL-HBYGRHMLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(F)cc2Cl)CC1 724447057 QIMQVWBXKYERIV-GFCCVEGCSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@H](O)c2cc3c(s2)CCCC3)CC1 724559773 NERGHCUSLKUQKV-HNNXBMFYSA-N 276.445 4.797 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(Cl)ccc2OC)CC1 724616263 JWALJPTZICCRSX-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE C#CCCCCC(=O)N(C)c1ccccc1-c1ccccc1 776311993 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CCCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330341301 PGSLTZCWSJTKMZ-ADHGMGHFSA-N 263.469 4.891 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2332303242 DBQQPNNBDOHNQB-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1CNC1CCC1 2335248495 PFGXVEBXNNSYCT-LBPRGKRZSA-N 279.424 4.525 30 10 CJEE CC(C)CCC[C@@](C)(O)C1(C#N)CCC(C)(C)CC1 2337643485 OGNGIZXLYHWLLW-MRXNPFEDSA-N 265.441 4.674 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ncc(SC)s1 2338700584 XIYOCTZMBPCLBS-AWEZNQCLSA-N 296.505 4.674 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccc(F)c(C)c1C 2341062187 SIUCEVRBOSGZAR-KRWDZBQOSA-N 264.384 4.787 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H](CC)CC(F)(F)F)NCC 2344358142 TXGYSLXOKPHWIP-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE C=CC[C@@H](C)[C@@H](CC=CC#CC(C)(C)C)NCCC 2344386879 ZSSLRWPIHQOPLI-IAGOWNOFSA-N 261.453 4.563 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@]1(CS)CC1(F)F 2351889519 AVTFWCCIYXCKOW-FZMZJTMJSA-N 286.387 4.534 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@H]1c1ccsc1 2352094481 FBRHHCSQGUUMPD-GOEBONIOSA-N 297.533 4.867 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@H]1C[C@@H](C(F)(F)F)C1 2352726536 PGHLVSWXRAAXCE-MBNYWOFBSA-N 276.342 4.751 30 10 CJEE CC1(C)OCC[C@@]1(C#N)C[C@@H]1C[C@H]1C1CCCCCC1 2357826723 NDZZCKAAMJPOEQ-BQFCYCMXSA-N 275.436 4.692 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)c1cccc(C)c1 2360199786 BNGGWWIOOCNEQH-GOSISDBHSA-N 289.488 4.900 30 10 CJEE c1cnc2c(c1)cc1c3c2ccc2cccc(c23)[C@@H]2O[C@H]12 6094644 QDFSNNRULRMSIH-RBUKOAKNSA-N 269.303 4.667 30 10 CJEE Cc1ccc(N/N=C/c2ccc(Cl)cc2Cl)cc1 7930937 YVPITSSJOVYFOE-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE CCCCSCCC/N=C(/S)Nc1ccccc1C 13543857 PATWKUVBRJBHLY-UHFFFAOYSA-N 296.505 4.616 30 10 CJEE Cc1ccc(-c2nn(-c3ccccc3)cc2CS)c(C)c1 31885125 TZWPHTIKGCKNQG-UHFFFAOYSA-N 294.423 4.586 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccc(C)cc2)C1 37146700 HLHZRZGOADTIGO-BHIYHBOVSA-N 284.447 4.535 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154799 KLTIXBDIKHNAMS-JTNHKYCSSA-N 265.809 4.760 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(F)cc2Cl)c1 37185211 VRWBDTKMAZBFFY-LLVKDONJSA-N 273.738 4.634 30 10 CJEE COc1ccc([C@H](C#N)C2CCCC2)cc1C(C)C 41328435 CJIBRRNAVWQYCN-MRXNPFEDSA-N 257.377 4.616 30 10 CJEE CCCCOc1ccc(/C=N/Nc2ccc(C)cc2)cc1 59148241 SUIIIZRYKHSZDZ-XMHGGMMESA-N 282.387 4.620 30 10 CJEE CCCCCCCN[C@H]1CCCC[C@@H]1C(F)(F)F 59462163 TYJZGVCOBPAUER-STQMWFEESA-N 265.363 4.668 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccccc2)c(C)c1C 83193502 VNUGTHNAHGWJIM-ZRDIBKRKSA-N 280.367 4.598 30 10 CJEE CC(C)[C@@H](CS)COc1c(Cl)cccc1Cl 87080700 WGMULJQCOBKGMP-SECBINFHSA-N 279.232 4.574 30 10 CJEE C[C@H](NCCCC(C)(C)C#N)C12CC3CC(CC(C3)C1)C2 87596950 RNKUTAFCJJKXJM-ISOUWHGUSA-N 288.479 4.511 30 10 CJEE N#CC1(Cc2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 87945792 WNEUJNIYNVOOHB-UHFFFAOYSA-N 292.766 4.655 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1C#N 88513394 TWICPBNZWVZNKE-RISCZKNCSA-N 262.784 4.592 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 88515116 FLCAXECEDUETHN-BXUZGUMPSA-N 296.336 4.958 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C2(C#N)CCC(C)CC2)CC1 91903421 OUJPCXQLNFNCPY-IKJBURDNSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCCCN(CCC)[C@@H]1CCNC1 109688165 WXZXTJVJDPCRCH-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCCO[C@@H]1CCc2ccccc2[C@@H]1NC 110083940 JYFOPESLMJZSGY-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)CC(C)(C)C)C1 110265183 SNTVCJIQWYEVOI-OWCLPIDISA-N 278.484 4.709 30 10 CJEE CCCCCCCCOCCCCCCNCC 112718114 NSDNSTYDVWUCEN-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCN1CC2(CCCC2)NCC1(CC)CC 114068801 ZGOPVELPUUHJIN-UHFFFAOYSA-N 294.527 4.734 30 10 CJEE CCCCCCC[C@H](NC)C1(N2CCCCC2)CCCC1 118178970 GYMWUTFJOAZQNN-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCC[C@H](NN)c1c(Cl)cccc1Cl 130052555 HCVLFWFABDMDEI-ZDUSSCGKSA-N 289.250 4.858 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)s1 130334354 JWHGGMMMLYCZMH-LLVKDONJSA-N 274.861 4.657 30 10 CJEE CCCCCCCC[C@@H](O)C1(OC)CCC(C)CC1 162364757 MMIDDIFCYBMXQF-AQFXKWCLSA-N 270.457 4.693 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C 164017107 LSYQTUZCGGITDE-GMXVVIOVSA-N 296.336 4.814 30 10 CJEE N#Cc1cc(Nc2ccc(Cl)cc2)ccc1C(F)(F)F 164393593 ITHWUYALPBIENO-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCC[C@@H](Cc1ccn(C(C)C)n1)NCC 168609627 LSJFRGZSFXXZBY-KRWDZBQOSA-N 293.499 4.735 30 10 CJEE Cc1cc(C#N)ccc1N1CCC[C@H](C(C)(C)C)CC1 203589773 SLACKISJWUNXEY-INIZCTEOSA-N 270.420 4.519 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H]1CCNC1 226534039 XOZIMFUJEGIEQW-KRWDZBQOSA-N 281.484 4.866 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)C1 228601651 DOSWVFUJSBCMOB-ZFWDSBGPSA-N 291.479 4.920 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCc2cccnc21 229818364 FPRAKLREJRTRTM-DLBZAZTESA-N 274.452 4.579 30 10 CJEE CCCCCCCCCCNC[C@@H](O)CC1CCCC1 232133226 OEWKALPPXNNCOU-SFHVURJKSA-N 283.500 4.658 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(Br)cc1 232479775 XZFAVSRPVYIBCV-UHFFFAOYSA-N 293.204 4.912 30 10 CJEE CCCN[C@](C#N)(CC)CCCSc1cccc(C)c1 233191931 QMWUCABRNRGDPO-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(F)cc1Cl 234439842 IHFWFUQIKPMTQN-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=CCCCCC[C@H](NC)c1cc2c(s1)CCC2 234446481 BFQAHLXWJHLMTO-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE O=C(Cc1ccc(Cl)cc1Cl)C1=CCCCC1 236049265 STXMDLDPMSKALO-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE CCCCCCC[C@@H](C)NCCCN1CCCC[C@H]1C 252413979 STKRCMWBJSHVIS-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CC(C)(CC#N)c1ccc(F)c(-c2ccccc2F)c1 260367268 GDDLTZQTJLGXSR-UHFFFAOYSA-N 271.310 4.823 30 10 CJEE C[C@H](C#N)c1ccc2sc(C(F)(F)F)cc2c1 260909851 XUUXRMBCOQEHBT-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(C)c(C)c2)c1 308124386 WJJGKGHCJMHQFY-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C[C@H](C#N)c1cc(C(F)(F)F)cc(Cl)c1Cl 309383346 ZPUXGTZFCPJFHS-RXMQYKEDSA-N 268.065 4.639 30 10 CJEE C=C(CC)C[C@H](O)c1ccc(OCc2ccccc2)cc1 309977776 SJWHVAABYCWLMG-IBGZPJMESA-N 282.383 4.655 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2ccc(C)cc21 312053174 CXEZALNWHZPPJM-GOSISDBHSA-N 257.421 4.708 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)CCCCO1 315883561 KJCPXUJZEJXIMD-GOSISDBHSA-N 281.484 4.818 30 10 CJEE O=CC1(Cc2cccc(Cl)c2F)CCCCCC1 316365398 ATZVDHRUYXQUQH-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CSc3ccccc32)CC1 317186006 JQKJEZLLGPCYLE-XOYHFGRZSA-N 274.429 4.661 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC(F)(F)C2)C1 317349406 SUZDZFWMPLZLIH-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE CCCC1CCC(C#N)([C@@H]2CCOC3(CCC3)C2)CC1 383341157 RPBWDYDKWDTNKP-AQFXKWCLSA-N 275.436 4.836 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@@H]2C)CC1 384756686 PHYFVXWRLMMGJF-BSDSXHPESA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CCCC[C@H]1C(C)(C)C 385252478 XESYLEBFELMOQJ-ATLSCFEFSA-N 277.452 4.674 30 10 CJEE C=CCSc1ccccc1NCC1(SC)CCC1 385434024 OOJWPLPPZBIUDJ-UHFFFAOYSA-N 279.474 4.662 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)cc1F 387469876 SFFVQWFGEVPNJQ-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cccc(Br)c1 394972127 SFOYGJOCIJBCJA-WFASDCNBSA-N 292.220 4.712 30 10 CJEE N#C[C@@H](CSCc1ccccc1)C1CCCCC1 397353133 ZGCHIAOUYWBYEK-INIZCTEOSA-N 259.418 4.640 30 10 CJEE CCCCCCCCCCC[C@H](C[C@@H]1CCOC1)NC 400944128 CJQORUFLRVPRPQ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@@H]3C[C@H]3C2)CCCc2ccccc21 403374808 KDTBONSOKWVDOJ-KLICCBINSA-N 265.400 4.611 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](C)OCc1ccccc1 404520167 VPDNBGKZGGPJEM-SJLPKXTDSA-N 277.452 4.670 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnsc1 404598192 SZXRCRJWQDPCAB-CQSZACIVSA-N 254.443 4.544 30 10 CJEE CC(C)(C#N)CNc1cc(Cl)c(Cl)c(Cl)c1 405181674 WZDOFECPIVTKNA-UHFFFAOYSA-N 277.582 4.608 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@H](N)C1(C)C 405297392 PRFXXGQQXJBCBV-GOEBONIOSA-N 257.437 4.983 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCC[C@@H]1N 405612981 SUQLMHLRILZMCS-WBVHZDCISA-N 267.457 4.604 30 10 CJEE C=CCC[C@H](NC(=O)Nc1ccccc1)c1ccccc1 435085098 OHJJCDUDMRGAIH-KRWDZBQOSA-N 280.371 4.516 30 10 CJEE C=C(C)C[C@H](N)c1ccc(C(F)(F)F)cc1C(F)(F)F 575245137 ZZDQJKOBZUULLY-NSHDSACASA-N 297.242 4.690 30 10 CJEE N#Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl 675047711 ZDJJQILPLNPTPD-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCCC[C@@H]1COC[C@@H]1NCCC 687952446 CCXUFACHZQHTSW-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC[C@H]1CC[C@@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688336353 CWPAHHFSDAJNSB-KSSFIOAISA-N 277.452 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F 692202699 ASTFXIYGLAZWRL-WBMJQRKESA-N 281.802 4.704 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CCC2(CC1)CC2 695662941 SQQXPDSDOCKUKQ-QGZVFWFLSA-N 280.500 4.929 30 10 CJEE CCCCCCCCC[C@H](CNCC)C1CCOCC1 696855606 XIMXZCALKQZPCD-GOSISDBHSA-N 283.500 4.779 30 10 CJEE C=CCCCCC[C@@H](O)c1ccsc1Br 698641594 PERFXYJSZFSRNR-LLVKDONJSA-N 289.238 4.681 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2cc(C(C)(C)C)ccn2)C1 699600677 RNOYAMMKYBULRM-KBXCAEBGSA-N 270.420 4.741 30 10 CJEE CC[C@@H](CC(F)F)C[C@]1(C#N)CCCc2ccccc21 701496460 LYPKMSTVKYCJHP-GUYCJALGSA-N 277.358 4.856 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2c(Cl)cccc21 701870948 BIYCFIULFCYHPB-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@]12CCCC[C@H]1C2 709095030 GHJMTOBFHRJYJE-MAZHCROVSA-N 274.795 4.614 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H]1C[C@H](C)CC(C)(C)C1 709181727 DUJBVPLOTUKNKX-XJKSGUPXSA-N 270.420 4.518 30 10 CJEE CC1(C)CCCC[C@@H]1/N=C1/NC2(CCCCCC2)CS1 713213049 FFUVDGFTNJHVTP-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCCC1CCC(C#N)(CCCOC(F)(F)F)CC1 713393619 DBWLFJGHMODYOR-UHFFFAOYSA-N 277.330 4.803 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(C)c1C 715707464 XLBKEEGHXUEGGZ-IAQYHMDHSA-N 251.439 4.618 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC(C)(C)CO1)NC 717028536 OYAYXYLZEIPSKP-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1cc(C#N)ccc1Cl 719307908 LYYSOIGTUAJASF-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE C=C1CCC(C[C@H](O)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1 724585510 FYCCUOWFTLATIS-UWWQBHOKSA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2csc(CC)n2)CC1 724595844 WNBZGMWKHIWCBR-HNNXBMFYSA-N 292.492 4.883 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](C2CCCC2)CCS1 725090092 PITMCFORTSPZBS-HOCLYGCPSA-N 296.524 4.987 30 10 CJEE Fc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)cc1 725410345 OIVZIUUTNAHJJP-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE CCCC(=NNc1ccc(C)cn1)c1ccc(Cl)cc1 727259629 IQUIDKUOWPOUPU-UHFFFAOYSA-N 287.794 4.660 30 10 CJEE C=CCCC[C@@H](C)OC(=O)c1coc(C2CCCCC2)n1 786424442 KVWAGBRXIPBKKN-CYBMUJFWSA-N 291.391 4.624 30 10 CJEE C=CC1(CC(=O)Nc2c(C)noc2C(C)C)CCCCC1 830199901 OVESIZQEMSKKMU-UHFFFAOYSA-N 290.407 4.572 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(F)ccc1C 1129416882 SSHJBSMYNMCYNH-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](CCC)C1CCCC1)c1ccccc1 1129637709 IDFPOUPHPCEINV-APWZRJJASA-N 299.458 4.821 30 10 CJEE C=CCCS[C@@H](C)c1ccc(OC(F)(F)F)cc1 1165585648 PLCDOSLYGZNCIT-JTQLQIEISA-N 276.323 4.956 30 10 CJEE C=CCC[C@H](CC)NC[C@@H]1CCCC[C@H]1CCC 1182368690 GKEMYENVZJQEGZ-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C#CC[C@@H](NCc1ccc(C2CCC2)cc1)c1ccccc1 1201522882 XUWQGRMEELSZSW-OAQYLSRUSA-N 289.422 4.808 30 10 CJEE C=CCCCCCCCCCN1CCC(C(C)=O)CC1 1207898711 DBSPEBYQJCIRSI-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE C=CC[C@H]1CCCN(Cc2c(C)oc3ccccc23)C1 1308856534 YTJPOQSOTTZPOS-HNNXBMFYSA-N 269.388 4.529 30 10 CJEE C=CCN(CCc1ccccc1)C(=O)C1(CC)CCCCC1 1352043294 KNMFKQASDSPRBC-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=C[C@H](CC)CC(=O)NCC1(c2cccc(C)c2)CCCC1 1352131262 PSIOXGUDOJHZAA-QGZVFWFLSA-N 299.458 4.525 30 10 CJEE C=C[C@H](CC(=O)N(CC)CC(CC)CC)c1ccccc1 1354156008 ZANIVZXCCWQTIY-QGZVFWFLSA-N 287.447 4.631 30 10 CJEE CC#CCCCC(=O)N[C@H](c1ccc(CCC)cc1)C(C)C 1435000285 ULYLHUCOXCJMDH-FQEVSTJZSA-N 299.458 4.646 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1 1435621336 MWBLOSZVAIRVST-SJORKVTESA-N 285.431 4.636 30 10 CJEE C=CCCCCCCCNc1snc(Cl)c1C#N 1458418101 XYDMQZYTBSLDEX-UHFFFAOYSA-N 283.828 4.607 30 10 CJEE C=C(C)[C@@H](NC1CCC2(CC1)CC2)c1ccc(F)c(F)c1 1462109176 CMYZQHMZKHFPFV-QGZVFWFLSA-N 291.385 4.894 30 10 CJEE C=CCC(C)(C)C(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1462244996 MQKWNPSTYHQBNF-INIZCTEOSA-N 291.479 4.796 30 10 CJEE C=CC(C)(C)CCCNC(=O)/C=C/c1cc(C)c(C)cc1C 1462600786 LERKWUVWHNWQAF-MDZDMXLPSA-N 299.458 4.734 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(OC(C)(C)C)c1 1474085812 GDUKDQGMBAVCSS-OAHLLOKOSA-N 275.436 4.698 30 10 CJEE C=CCCCCCN(C)Cc1cc2ccc(C)cc2[nH]1 1474369177 GPFZLCHKMVVHTP-UHFFFAOYSA-N 270.420 4.655 30 10 CJEE C=CCC[C@H](CC)NC[C@]1(c2ccccc2)CC1(C)C 1474639675 MEAGKDAHXXAPCE-HKUYNNGSSA-N 271.448 4.689 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H]2CCC[C@@H]2CCCCCC)CC1 1474694720 MNIXTFQAWSBJNF-VJANTYMQSA-N 275.480 4.907 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1cccc([C@H](C)CC)c1 1476889846 QQIHPEXYWGGTJA-CYBMUJFWSA-N 274.408 4.534 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ncc(C2CCCCC2)s1 1515235081 IKIYAWAQGZJUGK-INIZCTEOSA-N 292.448 4.732 30 10 CJEE C=C[C@H](CC(=O)Nc1cccc(Cl)c1C)c1ccccc1 1521873172 WEDZCPFZAJVLGM-CQSZACIVSA-N 299.801 4.947 30 10 CJEE C=CCC(CC=C)C(=O)N(C(C)C)[C@@H](C)c1ccccc1 1524213385 XJLUECGOAJUHRV-INIZCTEOSA-N 285.431 4.753 30 10 CJEE C=CCC1(C(=O)Nc2cccc(OCCCC)c2)CCC1 1526412286 BRHTUHGCKHXTFQ-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCC1(C(=O)N(C)C[C@H](C)c2ccccc2)CCCCC1 1529858156 WHOXPNFFWSLQJR-KRWDZBQOSA-N 299.458 4.775 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@]1(c2ccccc2)CC1(C)C 1538733316 LGQFPWQGYPPCNH-FQEVSTJZSA-N 299.458 4.559 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1csc2ccccc12 1539295171 WLMWJCVGHVAHES-LBPRGKRZSA-N 287.428 4.681 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 1539566092 JXQKALXIRHZFBQ-UYAOXDASSA-N 299.458 4.557 30 10 CJEE C=C(CC)C(=O)Nc1cccc(CSC2CCCC2)c1 1544044957 RXWGZKLCNVYMFA-UHFFFAOYSA-N 289.444 4.767 30 10 CJEE C=CCN(CCc1ccco1)CC[C@@H]1CCC[C@H](C)C1 1559689712 VIZPPXYMUMNQOV-IRXDYDNUSA-N 275.436 4.527 30 10 CJEE C=CCCC1(CNC[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 1560928943 IXZMYURMFJJGQM-IXDOHACOSA-N 261.453 4.539 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](CC)c1ccc(C)c(F)c1 1584012167 AWTQRMIKDKIXNU-OAHLLOKOSA-N 278.367 4.731 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H](C3CCCC3)C2)CCCCC1 1585492890 HBRKWBVLBHQBGR-QGZVFWFLSA-N 289.463 4.552 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 1616540763 YBDQPBBVLARXCY-WBVHZDCISA-N 287.447 4.535 30 10 CJEE C=CCCC[C@H](NCc1cccc(OC)c1)c1ccccc1 1644332942 UJFSEZDMYLICCG-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)CC1 1650975140 CTUCZPMMAGOTIJ-IRXDYDNUSA-N 295.430 4.837 30 10 CJEE C=CCCCCN(C)[C@H](C)c1ccccc1Cl 1652311209 YVILGZKLJOQYAD-CYBMUJFWSA-N 251.801 4.689 30 10 CJEE C=CCCC1(CN[C@@H](C)CC(C)(C)C)CCCC1 1652814460 OKGBCJXUVBIQPK-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CCCCN[C@H](c1cccc2ccccc12)C(F)(F)F 1653254054 LFTFMKJWVDWKTL-MRXNPFEDSA-N 293.332 4.999 30 10 CJEE C=CCCCCCOc1ccc([N+](=O)[O-])c2ccccc12 1656384467 BIZGGQJDFARRML-UHFFFAOYSA-N 285.343 4.873 30 10 CJEE C=C(Cl)CN1CCCCC[C@H]1c1cccc(C)c1 1657373267 GJSPNGMDSCOIMN-INIZCTEOSA-N 263.812 4.665 30 10 CJEE C=CCCCNCc1cccc(-c2ccccc2C)c1 1657902670 RPGIQDCCFCCXPI-UHFFFAOYSA-N 265.400 4.718 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1C 1658119160 HNFMYESYZLHJDH-LJQANCHMSA-N 299.845 4.925 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)c1cc(Cl)cc2c1OCC2 1658965908 DQTURWVKJTWUFV-DOMZBBRYSA-N 293.838 4.670 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(-c2ccon2)cc1 1660762675 MLLWBSIQDBHLLX-CQSZACIVSA-N 270.376 4.888 30 10 CJEE CCCCC[C@@](O)(CC)[C@@]1(C#N)CCCC12CCC2 1879223086 RQYFQHQCJXRUNI-SJORKVTESA-N 263.425 4.572 30 10 CJEE C=C1CCC(CN2c3ccccc3CC[C@H]2C)CC1 1884407266 MDRRWHBBMFEFEF-OAHLLOKOSA-N 255.405 4.574 30 10 CJEE CC#CCCCC[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1885244169 HTGJOGWTJYGGAJ-XDNAFOTISA-N 262.437 4.538 30 10 CJEE Cc1c(S)c(C)c(C(=O)OC(C)(C)C)c(C)c1N=[N+]=[N-] 1887514301 WPVRFROWFQRXPO-UHFFFAOYSA-N 293.392 4.798 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1cc(C)cc(Cl)c1 1888713008 ZPBSAJBBEYTYFY-KRWDZBQOSA-N 271.791 4.622 30 10 CJEE CC(C)=C(C)C(=O)c1ccccc1NC(=O)OC(C)(C)C 1889392308 AXKHXQKQUPURPD-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc(C)c(Cl)s1 1901006568 ZTUZEGYNVOADFO-LBPRGKRZSA-N 256.798 4.512 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)CC1=CB1OC(C)(C)C(C)(C)O1 1911601477 LWEWUNGPSOOOOB-HIFRSBDPSA-N 278.245 4.636 30 10 CJEE C=CC[C@H](C)O[C@@H]1CCCCCCCC[C@@H]1NCCC 1913323293 CLGKDEHGKWVLIC-OKZBNKHCSA-N 281.484 4.839 30 10 CJEE N#Cc1ccc(N[C@H]2CCC3(CCCC3)C2)cc1Cl 1916415645 QUTKEJZDBHRRGF-AWEZNQCLSA-N 274.795 4.736 30 10 CJEE C=CCCC[C@@H](O)c1ccc(OCCCCC)cc1 1919644393 NUERHGDGFHVFOV-QGZVFWFLSA-N 262.393 4.645 30 10 CJEE CCCCCCC[C@@H](NC)[C@@](O)(c1cccs1)C(C)C 1920800860 RHPAZVYBNFWMTL-NVXWUHKLSA-N 297.508 4.540 30 10 CJEE C=C([C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[Si](C)(C)C 1922861725 AMXWJEVLDQLYMD-HZMVEIRTSA-N 279.544 4.615 30 10 CJEE C=CCCC[C@H](N)c1cscc1OCc1ccccc1 1934829690 AAWOMOOBDYYSQB-INIZCTEOSA-N 287.428 4.683 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cccc(Cl)c1Cl 1947380665 GVODEDLBVBORRW-LLVKDONJSA-N 272.219 4.828 30 10 CJEE C=C(C(C)(C)C)[C@](N)(CC)c1cccc(Br)c1 1949151323 YHFLEUTUZXUTRS-OAHLLOKOSA-N 296.252 4.615 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc(Cl)s2)cc1 1951314506 JWBJIYMTTQFTLY-UHFFFAOYSA-N 262.761 4.606 30 10 CJEE C=C(CC)Cc1c(Br)ccc(Cl)c1F 1956839250 MXGKPUILNGRNPM-UHFFFAOYSA-N 277.564 4.750 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1ccccc1OCc1ccccc1 1958090690 KENWTSAESNYJBT-JXFKEZNVSA-N 295.426 4.868 30 10 CJEE C=CCC[C@H](C)c1c(C)ccc(Br)c1F 1958092289 GBTAJGWIHJDZSJ-VIFPVBQESA-N 271.173 4.966 30 10 CJEE N#Cc1cc(NC[C@@H]2CCCC3(CC3)C2)ccc1Cl 1968476982 OPMPKOMVCKXUJP-GFCCVEGCSA-N 274.795 4.594 30 10 CJEE CCCCCCCCCCc1nc(Cl)ns1 1978678945 UMOSEXURFAAKFA-UHFFFAOYSA-N 260.834 4.875 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)c(Cl)s1 1978976345 ATNJIWLSWNJYJC-NSHDSACASA-N 257.830 4.717 30 10 CJEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CC=CCC1 1990734003 JFPPDNCFNOKYBS-LBPRGKRZSA-N 272.200 4.847 30 10 CJEE C=CCC[C@@H](C)n1c(S)nc2cc(Cl)ccc21 2002054051 YUCLMMVVPLNZMM-SECBINFHSA-N 266.797 4.506 30 10 CJEE C=CC[C@H](C)C[C@@H](NCC)c1ccc(Cl)cc1 2003694245 DKGNRZMLZLXMDS-SWLSCSKDSA-N 251.801 4.593 30 10 CJEE C=CC1(CC(=O)c2cc(C(F)F)cs2)CCC1 2008247522 QEAXXAQVIYSKHL-UHFFFAOYSA-N 256.317 4.615 30 10 CJEE CCCCCCCCCS[C@H]1CCC[C@@H](O)C1 2015776091 MTYBRSKGIWSGMT-CABCVRRESA-N 258.471 4.774 30 10 CJEE CCCCC[C@H](CC)N(C)CC[C@H](C)CCS 2018186237 ZDJRCFAXTRUQGR-GJZGRUSLSA-N 259.503 4.623 30 10 CJEE CCC(=CC(=O)c1cc(C)c(Br)cc1C)CC 2022976596 RQTBUWAXSXVECC-UHFFFAOYSA-N 295.220 4.995 30 10 CJEE C=C([C@H](CC1CCCCC1)NCCC)C(C)(C)C 2035412667 QCEJYXVMCINPGY-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCN[C@H]1CC[C@@]2(C1)CC2(F)F 2038588373 XNPSVINTRBEGHZ-UONOGXRCSA-N 259.384 4.514 30 10 CJEE C=C[C@@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CC1 2040418668 RIPCHEGQRIXEQG-CABCVRRESA-N 284.230 4.999 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)C1CCC(C)(C)CC1 2040642113 SKVPEVNTTGXLOH-HUUCEWRRSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCC1(N)C[C@H]2CSC[C@@H]2C1 2042847974 UXPBIJCUGJKGNA-GJZGRUSLSA-N 269.498 4.598 30 10 CJEE CC#CCC[C@H](NC)c1cc(-c2cccs2)cs1 2045677750 FTDAAMGBIGDFND-ZDUSSCGKSA-N 275.442 4.541 30 10 CJEE C#CCCCC[C@@H](NCCC)c1ccccc1Cl 2050520761 YOBHJHIRHNXBJP-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2053066742 LDPQUABWFSUURJ-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE C#CCCCC[C@@](C)(CCCC)CNCC(C)C 2053260444 CAOWCMCTEQUXJD-QGZVFWFLSA-N 251.458 4.622 30 10 CJEE FC(F)Oc1cc(C(F)F)c(Cl)c(C(F)(F)F)c1 2054958405 HGQIAZAMBCUZQY-UHFFFAOYSA-N 296.569 4.898 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]1CF)NCCC 2071450935 BHTPCRBHEIQFIO-HRCADAONSA-N 257.437 4.711 30 10 CJEE CCCCCCCCN1C[C@H](C(F)F)CC1(C)C 2074915221 YVIRZVQPIRLEMR-CYBMUJFWSA-N 261.400 4.713 30 10 CJEE C=C(C)CN(Cc1cc(C(F)(F)F)cs1)C(C)C 2075239476 COAQFMGMSYIPDE-UHFFFAOYSA-N 277.355 4.553 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@H](CC)CC(C)C 2075358212 LRNNOJAEKOMYCE-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C=C1CCC(C[C@](C)(O)C(C(C)C)C(C)C)CC1 2075723934 HSAPAAFNAZQMPL-KRWDZBQOSA-N 252.442 4.802 30 10 CJEE CCCCCCCCC[C@@]1(F)CN[C@@H]1C(C)(C)C 2076153219 LIGNHFWQHZINKX-GDBMZVCRSA-N 257.437 4.853 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1sccc1Cl 2076569104 JTHPHUFMXQJDAG-CQSZACIVSA-N 277.820 4.766 30 10 CJEE CCCCC#CC[C@]1(O)CCCCC[C@H]1C(C)C 2083393337 MHMIRWRXGBOKOQ-IRXDYDNUSA-N 250.426 4.538 30 10 CJEE CCCCCC#CC[C@](C)(O)c1ccccc1Cl 2083394178 XZNYKIJAMRDDRZ-INIZCTEOSA-N 264.796 4.521 30 10 CJEE C=CCCC[C@H](NC)c1c(Cl)ccc(Cl)c1OC 2083733175 ARELTODDFRHCNA-LBPRGKRZSA-N 288.218 4.619 30 10 CJEE CCCCCCC[C@](C)(N)c1sccc1OCC 2085737679 DNKANDRXTQOMHM-HNNXBMFYSA-N 269.454 4.681 30 10 CJEE C=CCCCCCCC1(C(=O)O)CCC=CCC1 2085914877 NUAHQZPODOTWOW-UHFFFAOYSA-N 250.382 4.714 30 10 CJEE C#CCCCC[C@@H](CC[C@H](C)CCCC)NCC 2085921087 CCJXCFJSEYISHX-SJORKVTESA-N 251.458 4.765 30 10 CJEE C=CCCCCCCCCC[C@H](N)C1(C)CSC1 2086263830 LOKATXBXJKPDRO-HNNXBMFYSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1SCC[C@H]1C 2086282298 HHWUNRDXFNZJPG-OWCLPIDISA-N 269.498 4.762 30 10 CJEE CCSc1cccc(NCC(C)(CC)CC)c1C#N 2088737600 AHEIKKGBKBPYDR-UHFFFAOYSA-N 276.449 4.908 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)CCC(F)(F)C1 2090725103 ISOKQZBUHZJLHQ-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)[C@H](C)[C@@H](C)CC 2090879941 SIPXCJFVTXKCMT-XHSDSOJGSA-N 270.457 4.739 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCCCC)NCCC 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CCc1ccc(OC)c(C[C@H](C#N)c2ccccc2Cl)c1 57761577 JNAMJURCAGVDPU-OAHLLOKOSA-N 299.801 4.761 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C(CC)CC)N(C)C 59090406 UTDRDSAUDZAXPV-FUHWJXTLSA-N 284.532 4.691 30 10 CJEE N#CC[C@@H]1CCCC[C@H]1c1cccc(Br)c1 62670618 HOTICVLZAFOWNO-SMDDNHRTSA-N 278.193 4.637 30 10 CJEE CCCCN(c1cc(C#N)c2ccccc2n1)[C@@H](C)CC 68772618 NDTVQJRWULPHDK-AWEZNQCLSA-N 281.403 4.511 30 10 CJEE CCCC[C@H](CC)Nc1cccc(OCCCC#N)c1 69377458 KVMAWPUCTGAZOH-HNNXBMFYSA-N 274.408 4.750 30 10 CJEE CC(C)Oc1ccccc1-c1cc(C#N)c(C(C)C)o1 77079184 ABODNCAQZWIESB-UHFFFAOYSA-N 269.344 4.729 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCC[C@@H]1CO 91375588 GMYIDIVGBAVMNX-RBUKOAKNSA-N 297.527 4.906 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C(F)(F)F)ccc1F 94595059 PWOINAIPUURWRC-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981777 AVFIOORYXWLSGR-WBMJQRKESA-N 276.449 4.703 30 10 CJEE CCCC[C@H](CC)[C@@H](O)C#Cc1cccc2ccccc12 95633213 SXRWLOVZLILALC-JXFKEZNVSA-N 280.411 4.769 30 10 CJEE C=CCCC[C@H](NCCC)[C@H](C)Oc1cccc(Cl)c1 97219410 YKHCCSHRHCKFMG-YOEHRIQHSA-N 295.854 4.832 30 10 CJEE CCCCCCCNCCOc1cc(C)c(Cl)c(C)c1 100027084 KJBJOEBBFMCTKF-UHFFFAOYSA-N 297.870 4.896 30 10 CJEE CCCCCCCNCc1cccc(O[C@H](C)CC)c1 100126141 IGJBSBOVWKFKKC-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCC#CCCc1cc(Cl)c(C)cc1OCC 107621328 ZJLIIWXYAWKBOY-UHFFFAOYSA-N 264.796 4.783 30 10 CJEE CC#CC[C@H](C)c1c(C)cc(OCCC)c(C)c1C 107639837 QEOGAGZDTWBWAS-ZDUSSCGKSA-N 258.405 4.918 30 10 CJEE CCC#CCCc1c(C)c(Cl)cc(C)c1OCC 107650329 IQTGUQRWBONNLY-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCCCCCCOCc1ccc(Br)s1 109315203 YOBPAVSKDFICJQ-UHFFFAOYSA-N 291.254 4.998 30 10 CJEE C=CCSc1ccccc1NC[C@H]1CC=CCC1 109900945 KTBRLTHHKRDDMR-AWEZNQCLSA-N 259.418 4.733 30 10 CJEE CCCCCCC[C@H](C#N)NC1CCCCCC1 110029364 KWDSZKWRJRRKSL-MRXNPFEDSA-N 250.430 4.551 30 10 CJEE CCCCCCCCCN(C)Cc1cccc(C#N)c1 110247455 BAHLMXPYJKEUEX-UHFFFAOYSA-N 272.436 4.741 30 10 CJEE Cc1cc(C)cc(Nc2ccc(Cl)cc2C#N)c1 110253053 QAHLSVMJTCCYPP-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)cc1F 110258386 PHGSRSJCJNNSLE-LLVKDONJSA-N 288.753 4.548 30 10 CJEE C[C@@H](c1ccccc1F)N(C)c1cc(Cl)ccc1C#N 110258600 MYYGMHQOCISMTF-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCC[C@@H](Nc1ccc(F)cc1)C(=O)OCC 110319410 OGPPPIWAHBKZNM-MRXNPFEDSA-N 295.398 4.530 30 10 CJEE CCCCc1ccc(Nc2ccc(F)cc2C#N)cc1 111036011 BHQPYINZSQOSEL-UHFFFAOYSA-N 268.335 4.784 30 10 CJEE CCCCCCCCC[C@H](CSCCC)NC 114861935 HNSDBAJPWNNIPE-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(OC)cc1F 115856893 IXWZLCUSLHLMOE-QGZVFWFLSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](C)c1ccccn1 118066751 ZRTQUSVITXOHBW-HZPDHXFCSA-N 262.441 4.524 30 10 CJEE CC[C@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 122253924 PYYRWHHKUMBNTE-ZDUSSCGKSA-N 285.218 4.584 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(F)c1Cl)NC 122350063 GRBZKHQOUPXYIE-AWEZNQCLSA-N 285.834 4.970 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1cc(Br)ccc1C#N 123316631 UKVKNFOTFPUXSW-QWRGUYRKSA-N 295.224 4.557 30 10 CJEE CCCCCCCCCCC[C@@H](Cc1ccoc1)NN 124576868 BBMBPJLKJSMLTB-KRWDZBQOSA-N 280.456 4.575 30 10 CJEE CCCCCCCC[C@H](N)c1c(Cl)cnn1C(C)C 126985134 ZBONVOGWXLNNJE-AWEZNQCLSA-N 285.863 4.868 30 10 CJEE CCCCCC(C)(C)CNc1c(F)cc(C#N)cc1F 127009945 OHOJEULLUPFEAM-UHFFFAOYSA-N 280.362 4.855 30 10 CJEE C[C@@H]1C[C@H]1c1ccc([C@H](O)C2(C#N)CCCCCCC2)o1 156808680 CSPXMIZKFGMFCX-CPUCHLNUSA-N 287.403 4.691 30 10 CJEE CCCCCCCCNc1ccc(N)c2cccnc12 159126132 QJXZHULAXBLXJO-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(Cl)ccc1OC 161985808 YDWNOQOHEXPHDK-MRXNPFEDSA-N 297.870 4.969 30 10 CJEE N#C[C@H](C(=O)CC1CCCCCC1)c1ccc(F)cc1F 162030949 IQZXZVJWCFCGHE-HNNXBMFYSA-N 291.341 4.502 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)NC2CCCCCC2)s1 166135773 OWFVDXZJUMCIMN-AWEZNQCLSA-N 290.476 4.923 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1C[C@H](C)N 166203606 CMVRUARADVWUNH-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE CCSc1cccc(N[C@@H](C)C[C@@H](C)CC)c1C#N 167601914 OSXCQNAZWOGGSC-STQMWFEESA-N 276.449 4.907 30 10 CJEE CCCCCCCC1(O)[C@H]2CC[C@H]1Cc1ccccc1C2 168656765 IZZAEWRCICHZEM-OALUTQOASA-N 286.459 4.903 30 10 CJEE C#CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 212223349 LOXBDFXGFXYMHC-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNC1CC1 212268046 NYJFOFHFYFBWHS-BBWFWOEESA-N 263.469 4.783 30 10 CJEE CCC1CCC(N(C)[C@@H]2C[C@@H](CC)CC[C@@H]2C#N)CC1 217941564 SCFJRGAJHDEDNT-USFGWYQBSA-N 276.468 4.605 30 10 CJEE C#CCC[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)(C)C 219555538 LOXBDFXGFXYMHC-IXDOHACOSA-N 263.469 4.621 30 10 CJEE CCC1(CNc2cc(Cl)ccc2C#N)CCCC1 232915353 LUOYCIWMMUHGKD-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CCCCCCC[C@@H](C)N(C[C@@H]1CCCCN1)C(C)C 232925817 CRIYHDXPEYCHDO-MSOLQXFVSA-N 282.516 4.588 30 10 CJEE C=CCCCCC[C@@H](Cc1ccccc1Cl)NCC 233538034 HCERNRUUUSADDN-INIZCTEOSA-N 279.855 4.997 30 10 CJEE CCCC[C@H](CC)CO[C@@H]1C[C@H](C)CC[C@H]1C#N 251344552 MSAPVISWWVAYPA-FXUDXRNXSA-N 251.414 4.548 30 10 CJEE C=CCCCCCCNc1nccc(C)c1Br 310175569 VIHFKMXLVGOHDO-UHFFFAOYSA-N 297.240 4.701 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@@H](CC#N)O1 311244235 ZITGPQDEJPLBBQ-CVEARBPZSA-N 251.414 4.978 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1F)c1cccc(C)c1 312505992 YSGFUQHCRNWJOY-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)[C@H]1NCC 312590877 XMUUJNBOTSSNRC-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCNc1nc(C(F)(F)F)ccc1C#N 314542419 XXNXLMXDTLVYCV-UHFFFAOYSA-N 297.324 4.520 30 10 CJEE CCCCCCC[C@@H](NC)c1c(Cl)cccc1OC 315703834 FDFCQJSYLSJDOR-CQSZACIVSA-N 283.843 4.970 30 10 CJEE Cc1cc(C)c(C[C@@]2(C=O)CCC[C@H](C)C2)c(C)c1 316615295 KFRVKTZOGGOMLI-SCLBCKFNSA-N 258.405 4.550 30 10 CJEE CCCCCCCCCCCC[C@@H](N)CN1CCCC1 328165836 JDANHODWOPUXPN-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCC1CCC(C#N)([C@H]2C[C@@H](OCC)C2(C)C)CC1 378733350 XZBMOCVJKKSJEX-BNQMIIOLSA-N 277.452 4.938 30 10 CJEE CCCCCCCCOc1cc(F)c(C)cc1[N+](=O)[O-] 380440369 DAGFDMMBYHTBAL-UHFFFAOYSA-N 283.343 4.782 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N/[C@H](C)CCC(C)(C)C)N2)C1 386356360 NNSLMUBCJHAYPC-CKEIUWERSA-N 296.524 4.843 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cccc(F)c1Cl 387542411 GOYYPUXKFLLWHZ-INIZCTEOSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCCCCNCc1nnc(C)s1 391892013 DYLUTHYUBUTQRZ-UHFFFAOYSA-N 297.512 4.857 30 10 CJEE Cc1cc(OCCCCCC#N)cc(C)c1Br 395518204 UJSYSVHRAXPNBS-UHFFFAOYSA-N 296.208 4.529 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)c(F)c(F)c1F 395657501 VBWWAVKJJIOTBD-LBPRGKRZSA-N 291.332 4.864 30 10 CJEE CC[C@H](Oc1ccc(Cl)cc1C#N)c1ccccc1 403119470 NBYDUAQXJABXGU-HNNXBMFYSA-N 271.747 4.742 30 10 CJEE CC(C)C[C@@H](NCC1CCC(C#N)CC1)c1cccs1 442864549 CYYAFBXIKQHSPT-UYSNPLJNSA-N 290.476 4.755 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 466239656 BQHUXEVSDJEPJS-KRWDZBQOSA-N 297.442 4.521 30 10 CJEE N#CCc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1 514263389 WKFBLZWPQKVUQR-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@@H](NC)C1CCC(C(C)C)CC1 686679919 URRHVAGOEVXBMQ-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOCC(F)(F)F)C1 688336280 BLSKHTJUURSLIH-UHFFFAOYSA-N 291.357 4.702 30 10 CJEE CCCCCCCCOc1cc(OC)c(N)cc1Cl 690694248 FQHUWDAFDAYCFD-UHFFFAOYSA-N 285.815 4.670 30 10 CJEE C=C(CC)CNc1ccc(OCc2ccccc2)cc1C 691054384 ZNVJVDKJGHHGHD-UHFFFAOYSA-N 281.399 4.952 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC(F)(F)C1 692240839 QSSCWBCTEXDYEV-RBSFLKMASA-N 271.395 4.536 30 10 CJEE N#Cc1ccc(NCc2cc3cscc3s2)cc1F 693991113 BLBLJFMGHFDPAE-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695060571 GYYNBYSNEYNEAM-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCC[C@@H](Cc1cncc(Cl)c1)NC 703649021 WXWRXFHRERVOPH-INIZCTEOSA-N 282.859 4.616 30 10 CJEE CCCCCCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 703717085 KMMSXEJPVZLAEP-CABCVRRESA-N 275.436 4.809 30 10 CJEE CCCCCCCCCCCC[C@H](CN)COC 704219295 QSEHSCGSULVEJE-MRXNPFEDSA-N 257.462 4.519 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C)Oc1ccccc1 704275665 FVJPLCDODZDYNY-FUHWJXTLSA-N 278.436 4.956 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H]1OCC 709664461 RTTQTUUDXUYCFV-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CC(C)C[C@@H]1C[C@H]1/N=C1/NC2(CCCCCCC2)CS1 713275345 OZTYIKRGIAIFPB-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@]1(OCC)CCC[C@H](C)C1 715753334 NDELEXYBLSUHIZ-XSLAGTTESA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCC(=O)C[C@H](N)C1CCCC1 718848942 XFTTZUDKPJSHRA-SFHVURJKSA-N 281.484 4.994 30 10 CJEE CCCCCCCCCCCCC(=O)C1(NC)CC1 720324315 LIBZCBLESZHPCJ-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE C=C1CCC(C[C@H]2CC(C)(C)CC[C@@H]2C(=O)O)CC1 724599055 JIJNPRBVPPCEEB-GJZGRUSLSA-N 264.409 4.650 30 10 CJEE CSc1cc(C#N)c(C(F)(F)F)c2ccsc12 725292307 UFGNOSFGQVDKKE-UHFFFAOYSA-N 273.304 4.514 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 1124747193 BKSYKEWUIMCHCD-UHFFFAOYSA-N 295.382 4.560 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1SC 1125406409 PDPDRYIAXKFURP-SNVBAGLBSA-N 283.824 4.603 30 10 CJEE C=CCCc1ccccc1NC(=O)c1coc(C(F)F)c1 1128412023 LJMQWDJBUVBQGC-UHFFFAOYSA-N 291.297 4.588 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1 1134837985 IDWAJXAIZDEXMY-CVEARBPZSA-N 297.423 4.832 30 10 CJEE C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 1179336351 PFLDYKXQKPCZTN-QZTJIDSGSA-N 297.442 4.575 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc2ccsc12 1202387707 ZTMRNBCXADUSGV-UHFFFAOYSA-N 288.416 4.768 30 10 CJEE C=CCCC1(CNCc2cc3ccccc3n2C)CCCC1 1203113160 IOMLMQAZESDRNK-UHFFFAOYSA-N 296.458 4.795 30 10 CJEE C#C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1ccc(Cl)cc1 1206085400 WGQFPDNYBQDIJW-SJORKVTESA-N 289.850 4.963 30 10 CJEE C#C[C@H]1CC[C@H](NC2CCC(C)(c3ccccc3)CC2)CC1 1207424381 RNWMBMLOQFIENJ-SNXBXODESA-N 295.470 4.669 30 10 CJEE C#CCCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 1264260773 RQTINARRDRJCAC-FQEVSTJZSA-N 299.458 4.817 30 10 CJEE C=CCCCC(=O)NCC1(C2CCCCC2)CCCCC1 1266829240 UEIJKOJCBALYAB-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCC[C@H](Nc1nc2ccccc2o1)c1ccccc1 1307078305 XXPYWGKVVCFIMX-HNNXBMFYSA-N 278.355 4.947 30 10 CJEE C=CCCCCCCCCNc1cc(C#N)cc(C)n1 1307134147 LYSXCGKDGIKMEQ-UHFFFAOYSA-N 271.408 4.590 30 10 CJEE C=C(C)CCN1CCC(C)(c2cccc(Cl)c2)CC1 1307716847 DZIHQFNAZTYFFV-UHFFFAOYSA-N 277.839 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C#C[C@@H](CCC)N[C@@H](C)CCCCCCCCC 2263717175 GCUVPVZVYYUPOE-IRXDYDNUSA-N 251.458 4.907 30 10 CJEE CCCCCCCCC[C@@H](C)NCCOC(C)C 2263718975 XASCWQWIVNIKMN-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264421884 LQJALULXZBDBBN-RGUZKJPTSA-N 263.469 4.761 30 10 CJEE CCCCCCC[C@](C)(N)c1ncc(C(C)(F)F)s1 2264610633 XTARMIIMIISXAT-ZDUSSCGKSA-N 290.423 4.789 30 10 CJEE C=C1CCC(CNCC[C@@H]2CCCCC23CC3)CC1 2264994565 FFEFSBHZBAKFNE-KRWDZBQOSA-N 261.453 4.683 30 10 CJEE CC[C@H]1CCCC[C@H]1[C@H](N)CC=CC#CC(C)(C)C 2268751015 RYSSWKBLDCDGTE-GVDBMIGSSA-N 261.453 4.526 30 10 CJEE CCc1ccc(F)c(CC=CC#CC(C)(C)C)c1F 2268754554 JWZFDMJOZNORPS-UHFFFAOYSA-N 262.343 4.675 30 10 CJEE CCCC[C@](C#N)(CC)c1cc(C(C)(F)F)ccn1 2268760336 DDNIGSCBHHEVHO-HNNXBMFYSA-N 266.335 4.555 30 10 CJEE CCC(C)(C)N(CCC#N)CCCCC[C@H]1C[C@H]1C 2269477907 JFBWFYMRTUDMBH-CVEARBPZSA-N 264.457 4.607 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C#N)CCOCC1(C)C 2269480643 KCDPGRMONVTZGS-HLLBOEOZSA-N 263.425 4.549 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(F)cc1C 2269724308 AJOZEWSWVIWVAK-CQSZACIVSA-N 263.400 4.777 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc2c(s1)CCSC2 2271784573 GGWMBPUVOKWESS-CQSZACIVSA-N 295.517 4.934 30 10 CJEE C=C(C)CCCCNC[C@H]1C[C@@H]1C1CCCCCC1 2271841427 LLTMLUPXLQMHDK-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1cc2sccc2s1 2274051324 RLTIAUKTQFZQQE-ZDUSSCGKSA-N 289.469 4.807 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@]1(C)CC1(C)C 2276772342 SEFUILLWZQWZIR-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@](CC)(OCCN)[C@H]1C[C@@H]1C 2277366074 QDBKVRVVRBADJQ-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCC[C@@H](C)CC[C@@H](O)C#Cc1ccccc1Cl 2277846024 YDIWRPLOBYVGNJ-GDBMZVCRSA-N 278.823 4.659 30 10 CJEE C#CCCCC[C@H](C[C@@H]1CCCCC12CC2)NCCC 2279521890 MDHNQVDWNLCLGB-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE C[C@@H]1CC(C=O)(CC[C@@H]2CCCCC23CC3)C[C@@H](C)O1 2279670983 OJTANMVCFNLNRM-OAGGEKHMSA-N 278.436 4.510 30 10 CJEE O=C[C@@]1(CCC23CC4CC(CC(C4)C2)C3)CC=CCC1 2279852712 AJFHDOLZYDWGAH-NNGLDNROSA-N 272.432 4.908 30 10 CJEE C=CC[C@H](CNCC(C)C)Cc1ccc(CCC)cc1 2283529904 QQTOQZAQRMBWHV-IBGZPJMESA-N 273.464 4.620 30 10 CJEE Cc1cc(C)c(C[C@]2(C#N)CCCC(C)(C)CC2)cn1 2284013550 SYZSRGMLHLDRFV-SFHVURJKSA-N 270.420 4.741 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccccc1COC 2287465886 CNYMMDAZBBWKFC-SFHVURJKSA-N 275.436 4.620 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(OC)c1F 2287465998 NNVMTYISMNYPLT-HNNXBMFYSA-N 279.399 4.621 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCCCC2(C)C)c(F)c1F 2289651176 ONLJTVDMCFZQMZ-QGZVFWFLSA-N 280.358 4.601 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)c1csc(C)c1 2292728371 RBCLANKBCQRRBA-HNNXBMFYSA-N 296.432 4.725 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCCC[C@@H]1CC 2292807613 YPFMQUYJMOMBKO-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1(CF)CCC1 2293411918 XKCRSYTXIHVZKV-INIZCTEOSA-N 287.463 4.611 30 10 CJEE C=CCCCC[C@@H](CCC1CCCCC1)OCCCN 2293697165 MOZHNDONANSXCI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1cccc(C)c1 2293877395 WVFWPEDXJMVEHQ-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=C(C)CC[C@@](CC)(OCCN)C1CCC(C)(C)CC1 2294083274 JYBBPLRMNGVWTK-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@@H](C(C)(C)N)C1 2295520370 QBYUNVBRSBMWHF-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](OC)C1CCC1 2295683704 FJLABGLKAHKWTJ-AEFFLSMTSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@H](CO)C1 2295692400 WEMJEVPRJBGNAY-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CCCCCCS[C@@H]1CC[C@](C#N)(NC2CC2)[C@H]1CC 2295693257 DEIQLVPQAUHZJG-GVDBMIGSSA-N 294.508 4.503 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1c(Cl)cccc1Cl 2298816947 MLWJTDBFAUYSOV-BXKDBHETSA-N 290.259 4.691 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2302834956 AQKSOEHVWCUOAD-NOZJJQNGSA-N 290.621 4.874 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cscc1C 2304027327 HSFABSGKYZSXFV-CABCVRRESA-N 251.439 4.700 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(Cl)c(C(F)F)s1 2304581804 DWMKDELJKNUYJS-XCBNKYQSSA-N 279.783 4.812 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2306215110 PVBZVNMGTMWHBQ-ISVAXAHUSA-N 276.182 4.605 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)C(C)(C)CC 2313523891 FWEZZEKCNVVBHA-OAHLLOKOSA-N 269.498 4.655 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cscc1F 2316748005 WEMWLHUTBSEDSQ-HNNXBMFYSA-N 267.413 4.696 30 10 CJEE CCCCCCC[C@@]1(CO)C[C@H]2C=C[C@H]1CCC2 2316772526 SAXBMAKTVRCIGA-ZACQAIPSSA-N 250.426 4.702 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065913 YOFYNEBITBFGJN-BXUZGUMPSA-N 284.230 4.919 30 10 CJEE CC#CCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2318361806 DRQXAFKNYWVLIY-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CCC(C)=C(C)C1 2320264131 UHSLWSWRYUUMHK-INIZCTEOSA-N 252.398 4.938 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1CCCC(F)(F)C1 2321117272 NQWWTGOHEMMYSH-MCIONIFRSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1CC(C(C)C)C1 2321130943 MXRLNHCPLZLSMJ-GQGLESIBSA-N 251.458 4.639 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@@H]1C[C@H]1C1CCCC1 2332782119 JCTAPZKDEHRYJY-BQFCYCMXSA-N 262.437 4.988 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2333706021 CTJDMTBOLGBXGN-SOUVJXGZSA-N 271.395 4.536 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(C(F)(F)F)s1 2335192910 BECHWYCCQPCNQD-SNVBAGLBSA-N 289.366 4.938 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)C1CC2(CCC2)C1 2335197264 LPCZHKTXMTYNPA-ZBFHGGJFSA-N 281.509 4.633 30 10 CJEE C=CCC(CC=C)Sc1ncc(CNC(C)(C)C)s1 2335238309 MDRWZZJDCBHJLR-UHFFFAOYSA-N 296.505 4.644 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1cc(C)ccc1C 2337074123 IMBGILWCCWMGCD-SOLBZPMBSA-N 257.421 4.699 30 10 CJEE CC(C)CCC[C@@](C)(O)[C@]1(C#N)CCCCC1(C)C 2337652326 YKQMLWZLRDWVCB-SJORKVTESA-N 265.441 4.674 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC 2338665965 LVKQHKQPCVZNJP-SQNIBIBYSA-N 263.469 4.663 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CCC(C)CC1 2338741818 QNBILMOSEKFAIQ-VMWRSERWSA-N 263.469 4.949 30 10 CJEE C#CCCCCCCN[C@H](C)C1CCC(C)(C)CC1 2338797223 YGBFXXYIQOOLSK-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC[C@@H]1C[C@H]2CCC[C@H]1CC2 2339066210 BWTCQVPFMGLQMS-IECFSIQFSA-N 261.453 4.537 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCS1 2339252146 ZEPJGEYDLDMOEX-OVYGPGRDSA-N 275.461 4.794 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C)cc1SC 2342354995 XYFIHDNRMWGPKN-HNNXBMFYSA-N 280.481 4.582 30 10 CJEE C=C[C@@](N)(C[C@H]1CCC(C)=C(C)C1)c1ccccc1 2343399226 HTUBUISVSXNWTE-FUHWJXTLSA-N 255.405 4.553 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)cc1OC 2344369442 PTLZXTWYMIWHEK-ZBEGNZNMSA-N 281.827 4.520 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1(C(F)(F)F)CC1)NC 2344761110 VVIQFXRGRSDYHB-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C12CC(CC(C)C)(C1)C2 2344837863 OWGHRBJUAPBTCF-VYMRPNJYSA-N 263.469 4.783 30 10 CJEE CC[C@@](C)(CCCC(C)C)OC[C@]1(CS)CC1(F)F 2351886397 YUALUBGPYFTPKD-KBPBESRZSA-N 294.451 4.953 30 10 CJEE CCC(C)(C)[C@@H](C)N(C)c1ccc(C#N)c(SC)c1 2353843448 RZWUDIXQRBJVBO-GFCCVEGCSA-N 276.449 4.541 30 10 CJEE C#CC[C@@H](CC(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1 2357478916 AYPCWJPOMIRLFN-XLAORIBOSA-N 272.432 4.602 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@@H]1C[C@H]1CCC 2357822100 JXEMRAPASKEILG-IXDOHACOSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)Oc1ccc(CNCCC)c(Cl)c1 2360213882 AQTOBWLEDFEHHM-UHFFFAOYSA-N 293.838 4.739 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1c(Cl)cccc1Cl 20177206 DGBKLQGYPLNWML-AWEZNQCLSA-N 297.229 4.870 30 10 CJEE N#C[C@H](CCCc1ccccc1)c1ccc(Cl)cc1 34236438 UFMUDVSDTDNMNG-INIZCTEOSA-N 269.775 4.970 30 10 CJEE CCCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 36333091 QNUJEJJQJXZDCU-BRWVUGGUSA-N 273.445 4.996 30 10 CJEE N#Cc1ccc(NCc2cccc3ccccc23)cc1Cl 37389976 ZQCKIQKATBTQJV-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE Cc1cccc(OCC[C@](C)(C#N)c2ccccc2)c1C 57687628 VQXXEAWTGQURFI-LJQANCHMSA-N 279.383 4.554 30 10 CJEE N#C[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1F 57724577 YVZPRNXUTJDCJE-SNVBAGLBSA-N 294.156 4.982 30 10 CJEE CC[C@@H](CC1CC1)Nc1ccc(C(F)(F)F)cc1C#N 70104476 RQPJGJQEBXADCQ-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE Clc1ccc2oc(SCC#Cc3ccccc3)nc2c1 72262380 DJZDQXOZTMHIGF-UHFFFAOYSA-N 299.782 4.625 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426664 YBMRRMAETQZFJR-NTZNESFSSA-N 280.824 4.546 30 10 CJEE Cc1ccc(C[C@H](C)Nc2ccc(C#N)cc2Cl)s1 80245299 VQUMKZYBAHXTOC-JTQLQIEISA-N 290.819 4.625 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)s2)C1 83776090 VKIGPCGGPOVVES-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CCCCCCCCC[C@H](O)COc1ccccc1 95749569 IICMGWMCYFDEND-INIZCTEOSA-N 264.409 4.567 30 10 CJEE CCCCCCCNCc1ccc(OCCCC)cc1 100027294 RQMRPYDLLODHMP-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(F)cc(F)c1 103944798 WSABLUQOOJPQTQ-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCC(=O)Cc1ccccc1Cl 109709827 VHWLTMWMGMYNEM-UHFFFAOYSA-N 252.785 4.812 30 10 CJEE C=C(C)COc1c([C@@H](C)NCCC)ccc2ccccc12 110094169 RUKKLJOESJOCOZ-OAHLLOKOSA-N 283.415 4.855 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc3ccccc23)c1 110250872 OKGNFWOUNMAIMP-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE Cc1ccc(N(C)c2ccc(C#N)cc2Cl)c(C)c1 110257510 OCGSFEHKYGIBGQ-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)C1CCCCC1 110465297 WCBOBZVOGPGMRT-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](CC)C1 114054537 VDZZXGIIPZXHMW-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCN1CCNCC12CCCCC2 115215452 CWIWIVFHQBQSDH-UHFFFAOYSA-N 294.527 4.735 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NCC1(CC)CC 115233777 VWHTURIWWANFCO-KRWDZBQOSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC1(Cc2ccccc2)CNC1 118884879 LLFNRIHLFZBNCC-UHFFFAOYSA-N 273.464 4.959 30 10 CJEE N#Cc1ccc(Cl)c(NC(=O)CC2CCCCCC2)c1 122594103 NJCNVCHVVWEMCL-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1OCCC 123978698 LKYYTQRJFHEMFR-MRXNPFEDSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](NN)c1ccccc1C1CCC1 125204527 ZHSYSGYZYJJLPZ-GOSISDBHSA-N 274.452 4.819 30 10 CJEE CCSc1cccc(NC[C@@H](C)C(C)(C)C)c1C#N 127093937 XEEQAWKHLJNAAW-GFCCVEGCSA-N 276.449 4.764 30 10 CJEE N#Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cn1 129273052 RCTDHPVZVBDFDU-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE CCCCCCCCCCNCC[C@H]1CCCCN1C 129349006 GEPFFCBUIHZKNQ-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCNC[C@@H](O)c1ccccc1F 129367467 SBQXZOOULHWZCX-GOSISDBHSA-N 295.442 4.589 30 10 CJEE CCCCCCC[C@H](N)c1cscc1Br 132258258 UAHSBIXBJVJLAL-LBPRGKRZSA-N 290.270 4.871 30 10 CJEE CC#CCC[C@H](NCC)C1CCC(C(C)(C)C)CC1 133346879 DVGVQIDIWSOBFM-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CSc2ccccc21 135385930 NMPWENLSKMJBIB-CVEARBPZSA-N 278.461 4.987 30 10 CJEE CSc1cccc(Nc2cc(C#N)ccc2Cl)c1C#N 136684304 GSHOKIYUKNZFGU-UHFFFAOYSA-N 299.786 4.549 30 10 CJEE CCCCCCCCCCNCc1ccc(C)cn1 156590130 QEEYUMAOPKNGTO-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE CCCCCCCCCCNCC(CC)(CC)CO 161636953 HKBDXYVFZARRLG-UHFFFAOYSA-N 271.489 4.515 30 10 CJEE N#Cc1cc(F)cc(COc2ccc(Cl)c(Cl)c2)c1 163732947 YQGWGXBGAAQGBJ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 164941973 QMOWLNGFRAEUNI-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)C 189906770 DSUOTXTTXFZNTF-CQSZACIVSA-N 273.420 4.769 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc(C(F)(F)F)cc1 203451554 PZROPYGLWLSFID-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCC[C@H]1CCCCN1CC1(CS)CCCCCC1 213619617 YCSOGHCXBNFKCZ-INIZCTEOSA-N 283.525 4.911 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccs2)C1 222266290 IHYYTGRWWFVBGC-UPJWGTAASA-N 265.447 4.949 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cccc(Cl)c2F)C1 228392225 ZNKSYJUDCWHXDN-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2c(c1)CCC2 229757581 WXEAHPBYHGCJSQ-GOSISDBHSA-N 257.421 4.572 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(F)c2ccccc12 233599364 NRXIRCQAZAQICP-GOSISDBHSA-N 271.379 4.986 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1C[C@@H]1c1ccccc1 233606077 MWKQPUQOWVWKCX-CEXWTWQISA-N 271.448 4.905 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)cc1F 234439090 SDIFCAJVAROBOY-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=CCCCCC[C@H](N)CSc1cccc(C)c1 235801966 ZXAOMMQZGHBYLE-HNNXBMFYSA-N 263.450 4.551 30 10 CJEE Cc1cccc(CCC(=O)C2=CCCCCCC2)c1 235891901 QNLMRYRXRLLVIC-UHFFFAOYSA-N 256.389 4.777 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@H]2[C@H](C)C#N)cc1 251016604 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CCCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCC 312590878 XMUUJNBOTSSNRC-SJORKVTESA-N 283.500 4.920 30 10 CJEE N#CC1(c2cc(Cl)ccc2[N+](=O)[O-])CCCCCCC1 312677524 YUAQRQUNDPYFFN-UHFFFAOYSA-N 292.766 4.754 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(CC#N)c1 313439301 QUNWOKHOGWYWAP-IAGOWNOFSA-N 270.420 4.769 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC(F)(F)c2ccccc2)C1 316704483 BNEWPOVJPOQWCA-ZFWWWQNUSA-N 266.331 4.564 30 10 CJEE C#CCCC1(CNCCC)CCC(C(C)(C)C)CC1 318158807 DNMXGVHLDXHGGA-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cccc(F)c1Cl 384871222 OVAOPVCFCOHYHX-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)[C@@H](O)CC 386834453 WNJJTHZKADHMCY-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@H](C)C(C)(C)C)CC1 388550338 VISNQLZCLQGHCT-UJEKJILKSA-N 265.441 4.530 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2cccc(C)c2)C1 394511212 DVBHZPZRIRXTNJ-HLLBOEOZSA-N 256.393 4.516 30 10 CJEE CN(C[C@@H]1CC[C@H]2C[C@H]2C1)CC1(CS)CCCCCC1 403634312 GCAQIRGPVWEJDT-IXDOHACOSA-N 295.536 4.625 30 10 CJEE C=CCC[C@H](NC1CCC(C(F)F)CC1)c1ccco1 414179940 LAAKHXQSQLGKCI-RUXDESIVSA-N 283.362 4.700 30 10 CJEE C[C@H](NCC1(C#N)CCCCC1)c1ccc(Cl)s1 594718187 SKJDBKFVSRDNRI-NSHDSACASA-N 282.840 4.526 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)cc(OC)c1C 686624325 BAJVUHHJZOXSML-KRWDZBQOSA-N 277.452 4.933 30 10 CJEE CC(C)(C/N=C1/NC2(CCCCC2)CCS1)C1CCC1 687318650 SHRYDZSTJFROJE-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE Cc1cccnc1CC1(C#N)CC(C)(C)CC(C)(C)C1 688316349 QYQJSAIWGYPMEA-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CC(C)(C)[C@@H]1CCC/C(=N\[S@@](=O)C(C)(C)C)CC1 691992399 KDHRNKGKOARQKD-MXVYEBNJSA-N 271.470 4.516 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2cccc(C)c21 692190799 LZNXMMDJHBJBSE-HIFRSBDPSA-N 286.444 4.941 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1CNc2ccccc21 697068046 JCEKNKPXXJSIBZ-JKSUJKDBSA-N 275.436 4.697 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(N)ccc1F 702321661 OQVLPQITYLZPPJ-QGZVFWFLSA-N 281.415 4.972 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(OCCC)cc1 704006303 RURGCBQTZNBMQX-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CCCCCCCCNC(CC)(C1CC1)C1CC1 704671151 XDIRIMJKJBIDNJ-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CCCC[C@@H]2C)CC1 704934148 QOAINUCTLNRPIP-SOEBMCCKSA-N 250.426 4.844 30 10 CJEE CC(C)[C@](O)(C1CC1)C1(C#N)CCC(C(C)(C)C)CC1 705354834 LBDLKZRMEAITQY-UYJHFMRCSA-N 277.452 4.530 30 10 CJEE C[C@@H]1C[C@H](N(C)c2cccc(Cl)c2C#N)CC(C)(C)C1 709185658 VCNWICIZVYGEBU-OLZOCXBDSA-N 290.838 4.863 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(N)cc1C 709353366 GHDHLWYTADICLI-WFASDCNBSA-N 278.827 4.777 30 10 CJEE C=C(Cl)C[C@H](NCCC)C(CC)(CC)C(F)(F)F 710614742 NNDWIBSLSCLSBT-NSHDSACASA-N 285.781 4.866 30 10 CJEE C=C(Cl)C[C@H](NCC(C)C)[C@H](C)c1ccccc1 710668587 GQGWECZPXXQNJN-ZBFHGGJFSA-N 265.828 4.547 30 10 CJEE C=C1CCC(C[C@H](CC2(CSC)CC2)NCC)CC1 724592032 HJHALIKBDYDXHG-MRXNPFEDSA-N 281.509 4.634 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCCCC(C)C 821996732 LIVDLGTUUTYGLL-SJORKVTESA-N 251.458 4.927 30 10 CJEE Cc1cc(C)c(C=Nc2ccc(C)c(C)c2)c(C)c1 1084278453 BVGVVOQMYSWSHR-UHFFFAOYSA-N 251.373 4.979 30 10 CJEE C=CCC[C@H](C(=O)Oc1cc(C)ccc1C)c1ccccc1 1124371960 LWVMRZAQALATCH-SFHVURJKSA-N 294.394 4.959 30 10 CJEE CCCCCCCCCN[C@H]1CCOCC12CCCC2 1176964264 AADCFWHXMMLWCX-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE C=C(CC)CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 1182357623 VJEJJZJJXFDCRL-CVEARBPZSA-N 297.364 4.897 30 10 CJEE C=CCCCNCCCCc1cccc(C(F)(F)F)c1 1205639978 RLVLGPDEMOJOKM-UHFFFAOYSA-N 285.353 4.584 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(CC(C)C)CC(C)(C)C 1248434376 CQPLSMXUKHWDQI-UHFFFAOYSA-N 296.499 4.693 30 10 CJEE C=CCC1(CNC(=O)N(CC)CC(CC)CC)CCCC1 1248675099 PKRXHAYMTBUXDV-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE N#CC[C@@H]1CCCN(Cc2ccc(C3CCCCC3)cc2)C1 1248887201 CIDPHROYULVMRA-KRWDZBQOSA-N 296.458 4.860 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C\C=C(Cl)Cl)c1 1304717949 RPDCBUFFTROAJF-YWEYNIOJSA-N 282.170 4.533 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1360369821 WUZKAAYDXGPXSS-SOLBZPMBSA-N 291.479 4.654 30 10 CJEE C=CCC1(NC(=O)/C=C/C2CCCCC2)CCCCC1 1436260536 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ZJQZJXNLNAZKMJ-TZMCWYRMSA-N 274.433 4.517 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(SC)c2)C1 2353832364 YQSPCUWVLWXXKH-OCCSQVGLSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@](C)(N[C@@H](C)CCCCC)C(=O)O 2353862054 CHQAONKROXIDAX-RDJZCZTQSA-N 285.472 4.749 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2357492259 NFOIOGPORFHECM-IPMKNSEASA-N 271.448 4.750 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1OC[C@@H]2CCC[C@H]12 2358458615 CINDPRDSRYDKMM-FJIDUMEYSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2OC 2358948706 ZQXBLYLGNMZPEE-KFGODFMUSA-N 281.484 4.529 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C[C@@H]1C[C@H]1CC 2360180168 TWEVEHAMDCMOGQ-XMTFNYHQSA-N 283.500 4.642 30 10 CJEE C=C[C@@H](C)N(C)c1ccc(C)c(Cl)c1CNC(C)(C)C 2360533072 RNVVDPIVZJPOMD-CYBMUJFWSA-N 294.870 4.547 30 10 CJEE CSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N 495231 CTNAYVPMEUIVMZ-UHFFFAOYSA-N 292.363 4.602 30 10 CJEE aggregator C=CCOc1ccc(CNCCCCCCC(C)C)cc1 21019161 AUMGWMPGNSXZER-UHFFFAOYSA-N 289.463 4.948 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(OC)c2)C1 37154686 SCWROAPGJWDCGZ-HEHGZKQESA-N 275.417 4.506 30 10 CJEE N#Cc1ccc(Oc2cccc(F)c2)cc1C(F)(F)F 37306475 CIRNWUZOJWHVCV-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 37333913 KZHXDRVZMNTBHQ-GXFFZTMASA-N 282.309 4.568 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1c(C)cccc1CC 44809086 GGUMBEQTSLGPIV-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2c(C)cccc2C)cc1 57684902 CNFBGRVOCCRRQY-SFHVURJKSA-N 279.383 4.688 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2ccc(C#N)cc2)cc1 57744116 IVSIKYIQALIFEJ-LJQANCHMSA-N 274.367 4.532 30 10 CJEE Cc1cc2nc(C3CCCCC3)n(CCC#N)c2cc1C 57801577 FZAKBYATSNTDGW-UHFFFAOYSA-N 281.403 4.615 30 10 CJEE Cc1cc(C)cc(/N=C/c2ccc(Br)s2)c1 59513823 SUUSNMVXWLVBGQ-OVCLIPMQSA-N 294.217 4.878 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](SC2CCOCC2)C1 62054436 QYXANOLXGRRYBG-IJEWVQPXSA-N 295.492 4.643 30 10 CJEE Cc1cc(C)c2c(c1)c(C#N)c(Cl)n2Cc1ccccc1 71465704 HUMCDIKSAUGZAY-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE C=CC[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 72262768 WONGOIIGDOGYOO-AWEZNQCLSA-N 298.367 4.739 30 10 CJEE CCCC1CCC(C#N)(CCOc2ccccc2)CC1 87959768 ZGEIHYOCUBIBGH-UHFFFAOYSA-N 271.404 4.956 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(C)s2)CC1 91882220 BDTKXDTXDRHXAX-OGVSOVDVSA-N 277.433 4.590 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)CCCC(C)(C)C1=O 94320311 NSWQZWDHZHWRPA-WMLDXEAASA-N 263.425 4.882 30 10 CJEE CCN(C[C@H](CS)c1ccccc1)c1ccc(C)cc1 94580476 HCQFLDSIKMKCIF-QGZVFWFLSA-N 285.456 4.535 30 10 CJEE SCCCCCOc1ccc(Oc2ccccc2)cc1 94583071 LTFGJXKKYJSRKD-UHFFFAOYSA-N 288.412 4.958 30 10 CJEE CCC(CC)[C@H](C#N)c1ccc(OCC(C)C)cc1 94674616 VIWMIBAEILDYAL-KRWDZBQOSA-N 259.393 4.765 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97283992 FJYPAAAIKBWETN-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CCCCCCCO[C@H]1CCCCCC[C@@H]1NCC 103978079 LHTQCNMBEAGYOA-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(C)ccn1 104415073 YTXOQCRPBXCWQH-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCC[C@@H](N)CC(F)(F)F 109729123 JMXMGNPMLJVTDW-GFCCVEGCSA-N 253.352 4.797 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1nc2ccccc2[nH]1 109954888 IADGLPADBVZKHB-GJZGRUSLSA-N 287.451 4.963 30 10 CJEE CCCCCCCCC1(CNC(C)(C)C)CCOCC1 110214600 KBGRKKQRRPRWCT-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CC(C)Oc1ccc(Nc2cccc(Cl)c2C#N)cc1 110253740 HVNPCYHZBOGSQC-UHFFFAOYSA-N 286.762 4.742 30 10 CJEE C[C@H](c1ccccc1F)N(C)c1ccc(Cl)cc1C#N 110258586 LXAHXTGXQUTPOJ-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCC[C@H](CSCC(C)C)NCC 114865086 IXNHJVUYTVGXFS-OAHLLOKOSA-N 259.503 4.714 30 10 CJEE C[C@H]1CCC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122420636 QWTZNACRHCPEBD-CMPLNLGQSA-N 283.293 4.535 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc2ccccc2c1 126031912 WWNLVQGMRLZUIM-GOSISDBHSA-N 270.420 4.705 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1Cc2ccccc2O1 126060009 QPDDFFHZWKKDSE-PKOBYXMFSA-N 290.447 4.882 30 10 CJEE CCCc1ccc(Nc2ccc(C#N)c(C)c2)cc1 133375090 HRPQPFKCLBXCCB-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(N(C)C)cc1 139683882 KNUJIEDNQVRBKS-GOSISDBHSA-N 276.468 4.764 30 10 CJEE N#CC1([C@H](O)c2ccccc2C2CC2)CCCCCCC1 156835137 FWVIOHOEKJTBBU-GOSISDBHSA-N 283.415 4.852 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccn([C@@H](C)CC)n1 168462181 PCDYWKRQNJHEEJ-DLBZAZTESA-N 293.499 4.865 30 10 CJEE CCCCCCCCCCCCC(=O)C(C)(C)NC 168848779 INWGDKXPHPZLED-UHFFFAOYSA-N 269.473 4.865 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(F)c1 215034332 VQIVVHDPRYWQDB-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 223357505 QSTTUQMLFHCECP-GDAAHCPNSA-N 284.447 4.583 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCCCC[C@H]1N 226743231 PUKJVSOCBMZQSF-HZPDHXFCSA-N 267.457 4.604 30 10 CJEE CCCCCCC[C@@H](C)NCCSC(F)(F)F 231938265 ORRKOUCOUQMPSN-LLVKDONJSA-N 271.392 4.578 30 10 CJEE CCCCCCCOc1cccc([C@H](CC)NC)c1 232952616 XNTGBIKKOBWCFS-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE C[C@H]1OCC[C@@H]1SCCCCCCCCCS 235625475 QZLGWQMRFKCZQI-KGLIPLIRSA-N 276.511 4.558 30 10 CJEE N#Cc1ccc(N[C@H](c2cccs2)C2CC2)c(Cl)c1 236031297 PDXMMWOKDKRQFV-HNNXBMFYSA-N 288.803 4.836 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 250840733 XPYSBPBSWNALJI-WKULXVSPSA-N 264.453 4.924 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](CN)CC[C@H]1C 250841393 YBBVBSOQUDDWAB-RTBURBONSA-N 296.543 4.967 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1C[C@H]2CC[C@H]1C2 251130791 JPRNCDMYJSQWPX-YESZJQIVSA-N 297.552 4.871 30 10 CJEE CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)CC1 251764989 MBQPFHRCFVQHAO-IIDMSEBBSA-N 270.420 4.568 30 10 CJEE C[C@@H]1C[C@H](OC[C@H](CS)c2ccccc2)CC(C)(C)C1 251768751 DYPNFSUNXVIUGC-OIISXLGYSA-N 292.488 4.931 30 10 CJEE C[C@@H](C#N)c1cc(C(C)(C)CC(C)(C)C)ccc1O 260757862 ZIZADRISTCLPKQ-LBPRGKRZSA-N 259.393 4.733 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2cc(C)cc(C)c2)c1 308123335 RVDOBSSCTHDHJV-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE N#C[C@@]1(CCc2ccc(Cl)cc2)CCc2ccccc21 308653940 MSURLWANWOGLCW-GOSISDBHSA-N 281.786 4.680 30 10 CJEE C=CCCCNc1cccc(OCc2ccccc2)c1 309850522 ZXWMDLSSULDLFH-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE SCCCCCCCCCN1C[C@@H]2CCCC[C@H]2C1 311600850 CLYPNTDTIIHNNL-IRXDYDNUSA-N 283.525 4.769 30 10 CJEE Cc1cc(N)c(C#N)cc1Oc1cc(Cl)ccc1Cl 311930176 VVCNFIOJGBVJFE-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCCCCC[C@H]1CCC[C@H](CNC(C)(C)C)O1 312037658 ULTSQWXYCXUZFE-JKSUJKDBSA-N 269.473 4.673 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(F)cc1Cl 312311934 XNVGTPUCFHQUSS-INIZCTEOSA-N 295.829 4.959 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C(C)C)cc1)C(F)(F)F 312988383 RVOQVSOXWZQZCL-OAHLLOKOSA-N 285.353 4.969 30 10 CJEE C=C(CC)CNCc1ccc(-c2nc3ccccc3s2)o1 313500689 JVWIXDUOEBIHIR-UHFFFAOYSA-N 298.411 4.612 30 10 CJEE CCCCCCC[C@](C)(CNCCC)OC(C)C 316649036 DCVDNNQKOWSNKT-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CCc2ccc(Cl)cc2)C1 317400033 LCKQVHQMITWWLI-CJNGLKHVSA-N 264.796 4.668 30 10 CJEE CCCCCCCOc1cccc(C=O)c1Cl 328501221 XKZXDCIOYJEJGN-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE CC(C)CCCCC[C@@]1(C#N)COc2ccccc2C1 383411337 XBAFTTKFNQDREJ-GOSISDBHSA-N 271.404 4.738 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)s2)cc1Cl 383483487 PLVZNHJAQNUIGF-UHFFFAOYSA-N 271.143 4.594 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)C(CCC)CCC 387518107 HDKLZJDWFKHRBF-KRWDZBQOSA-N 269.473 4.552 30 10 CJEE CCc1cc(NC[C@H](C#N)C2CCCCC2)ccc1C 397237360 YTCBJZDMQDBQCO-KRWDZBQOSA-N 270.420 4.689 30 10 CJEE CC(C)[C@@]1(C)CS/C(=N/[C@@H](C)c2ccccc2Cl)N1 398599140 VPWYZJNYGUWPOU-XHDPSFHLSA-N 296.867 4.508 30 10 CJEE CCCCCCCCCCC(=O)CC[C@@H]1CCOC1 401569721 RSSJVTXLXRUEHX-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCc2c(F)cccc2F)C1 403046258 ZNLNDQWFZUZJSA-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE CCCCCCCCCCNCCc1ncccc1C 405000902 WXCMQPQHFUXHTI-UHFFFAOYSA-N 276.468 4.663 30 10 CJEE Cc1cc(OC(F)F)c(C(F)F)cc1C(F)(F)F 575665559 QQIQRXXPFMFYLY-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H]2CC[C@@H](N2)[C@H]1C 686080462 AYGISBOBXKVUQQ-BRSBDYLESA-N 281.484 4.673 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CCCOC1 689631710 MQIAPFSYEMXIQA-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)CC1CCCCC1 689712778 NYFWHQYDPJBJMQ-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOCC2CCC2)C1 690410873 QIRYUROJWXJAQO-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCCC[C@H]2C(C)C)c1 691091444 VLINYKODZNRIRZ-ZWKOTPCHSA-N 270.420 4.906 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H](C)C1CCC1 692270039 PALKXNBZNDPNDI-OAHLLOKOSA-N 285.541 4.871 30 10 CJEE C[C@H]1CC(CNc2ccc(C#N)c(Cl)c2)C[C@H](C)C1 695265606 NVWAHQNYMOETMA-VXGBXAGGSA-N 276.811 4.696 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1c(Cl)cccc1Cl 695861948 CGGUJGWGOAFIQO-VIFPVBQESA-N 271.191 4.734 30 10 CJEE C=CCCSCCN[C@H]1CCCC[C@@H]1c1ccccc1 696062731 OKBFXLGZTOYWJH-MSOLQXFVSA-N 289.488 4.612 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1NCc1c(Cl)cccc1Cl 696977178 YTIUNQPHHWOAFC-XHDPSFHLSA-N 297.229 4.555 30 10 CJEE SC[C@@H](CSCc1ccccc1Cl)C1CC1 702037273 OMAWMNUBSVTGQU-LBPRGKRZSA-N 272.866 4.529 30 10 CJEE Cc1c(Cl)cccc1OC[C@@H](CS)c1ccccc1 702654703 PERJPDOIUOLTCH-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE CCC[C@H]1CCCCN(C[C@@H](CS)c2ccccc2)C1 703283838 KLXGZVQOXHJROB-WMZOPIPTSA-N 291.504 4.602 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@](C)(CC)C1 704959300 NQCHUEHGWURIBJ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@H]1CCCCO1 705929717 JYLSNXGIOVBMPK-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)[C@]12CCCC[C@H]1C2 709205661 RKOMFZPHODOBEM-DETPVDSQSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@@H](NC)C1CCC2(CC1)CC2 709940252 SBZAJQMXBHXOGU-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE C=C(Cl)CC1(C(=O)O)CCC(CCCC)CC1 710566454 VPBYVJFLCWZDHT-UHFFFAOYSA-N 258.789 4.580 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cccc(C(C)(C)C)c1 710673500 BMPANGZIVBICCS-OAHLLOKOSA-N 265.828 4.777 30 10 CJEE CC1(C)CCN([C@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 711058918 IFAXJHGNDBSNES-HOTGVXAUSA-N 276.468 4.607 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1C[C@@H]1C1CC1 711820982 VSOLYVLWBFXJEB-YESZJQIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCNCC[C@@H]1C[C@H]1C1CC1 712683073 VQLASBLOSFSPMX-SJORKVTESA-N 251.458 4.763 30 10 CJEE 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2203787767 QNOHTRWZKNPPEM-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)[C@]1(O)CC(C)(C)C1(C)C 2204951019 RJPGRTYZGAKBLW-CRAIPNDOSA-N 283.500 4.642 30 10 CJEE C=CCCCCCC[C@@]1(N)CCCOC12CCCCC2 2206886147 PYUFTWVIOQRJNQ-QGZVFWFLSA-N 279.468 4.724 30 10 CJEE C=CCCCCCCCCCN1CCC2(CCC2)C1=O 2207372149 DFOIWDLQPCUCOT-UHFFFAOYSA-N 277.452 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@@H]1CCCNC1 2207397014 QDFISJJYYHKJFQ-KRWDZBQOSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2207397127 QEOUYYJKYDGUDA-RRQVMCLOSA-N 275.480 4.913 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@H](OCC)C1(C)C 2207405580 YHVYEUZGUNTZHP-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](OC)C1 2207409537 MYCVFYNPRVJTFP-KSZLIROESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@](C)(N)c1ccc(C)nc1 2207438303 PRFMTMRYBJZEKF-SFHVURJKSA-N 274.452 4.871 30 10 CJEE C=CCCCCCCCCCN(CCCN)C(C)(C)C 2207438778 UOTBUJFSEPOQDR-UHFFFAOYSA-N 282.516 4.743 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@@H](CC)CCCC 2207448983 OGJJPBHKRDRVHR-ZWKOTPCHSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@@H](C)CCC(C)C 2207469696 OEINFDJHQHYGPO-ROUUACIJSA-N 284.532 4.821 30 10 CJEE Cc1sc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c(C)c1C 2209871943 SJIZTJCLVHNLDJ-OLZOCXBDSA-N 292.253 4.623 30 10 CJEE C=C[C@@H](C)C[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2210143123 XEPSFMYUVYXOFW-RDDDGLTNSA-N 279.594 4.892 30 10 CJEE O=C1C=C(c2cc(Cl)cc(Cl)c2Cl)CCC1 2211156515 HPTLBVAKCAIEQU-UHFFFAOYSA-N 275.562 4.783 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H]1CC[C@H]1C(F)(F)F 2217757739 DLHFZRIIRLMKCA-JHJVBQTASA-N 264.331 4.751 30 10 CJEE CCCCCCCN(C)C1CCC(C2CC2)CC1 2218865728 CAKOBIPWCFURCI-UHFFFAOYSA-N 251.458 4.857 30 10 CJEE CC1=CC[C@@](C)(Nc2ccc(Cl)cc2C#N)CC1 2221607457 PCRMTJDFFYGSKD-OAHLLOKOSA-N 260.768 4.512 30 10 CJEE CCCCCCCCCN1C[C@H]2C[C@@H](C1)C2(C)C 2221740101 TVFYQVCERFBCMN-IYBDPMFKSA-N 251.458 4.715 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)CC1CCC(C)CC1 2223600316 UDLVLVFPESSECD-ODZFXCKXSA-N 251.458 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CCCC1CC(C#N)(c2cccc(C(C)(C)C)c2)C1 2274438886 RQZUAESJXZLCIC-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE C=CCCCCCC[C@@H](OCCN)[C@@H](C)C(C)(C)C 2276978272 NBEABUHANVKNLG-HZPDHXFCSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C(C)C)CCO1 2278124211 HCYKUJBXZVMQBF-IRXDYDNUSA-N 269.473 4.878 30 10 CJEE C#CC[C@H](N[C@H](C)CCCCCCCCC)C1CC1 2278241654 WBVCTSPUEPJLJM-AEFFLSMTSA-N 263.469 4.907 30 10 CJEE CCCCC#CC[C@@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279612434 OPOHVKPRFGFVED-RBSFLKMASA-N 289.385 4.527 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C)c(C#N)c(C)c2)cc1 2280565116 ZUROOJXEXCLUID-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@@H]1CCC12CCC2 2281035866 SOTGSCUOIHNJHJ-RDJZCZTQSA-N 280.452 4.637 30 10 CJEE C=C([C@H](NCCC)c1cccc(OC)c1Cl)C(C)(C)C 2283312197 OADJNHZSBOTKQA-INIZCTEOSA-N 295.854 4.992 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@H]1C(C)C 2284093417 YHMFAUBTKVPPIB-RCCFBDPRSA-N 275.480 4.643 30 10 CJEE CC(C)(C)C#CC=CCN1CC[C@@H]1C1CCCCCC1 2284142282 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C=CCCCCCC[C@@H](OCC(=O)O)c1cscc1C 2291277554 KVUMKBDPISFQOP-OAHLLOKOSA-N 296.432 4.725 30 10 CJEE C=CCCCCCC[C@H](OCCC(=O)O)c1ccsc1 2292430878 YKYBDEWOWJODQQ-HNNXBMFYSA-N 296.432 4.807 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCN)C1CCCCC1 2292776160 JMLHCVDCRXCTBW-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)C[C@]1(OCCCN)CCCC2(CCCCC2)C1 2293064203 LVBJYORPONEYBO-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C=CCC1)OCCCN 2294142267 PQJYJCBCIZNHDA-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C[C@@H]1CC[C@](C)([C@@H](O)C#Cc2ccccc2Cl)C1(C)C 2295216606 KJRYHSDJIKHTAV-RPVQJOFSSA-N 290.834 4.515 30 10 CJEE CC(C)(C1CCCCC1)[C@H](N)C#Cc1ccccc1Cl 2295221766 MJNPDNUILRJECS-QGZVFWFLSA-N 289.850 4.625 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)Cc2ccc(Cl)c(F)c2)CC1 2295291400 GEHRFACWFAQFPN-ZDUSSCGKSA-N 294.797 4.973 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)c1ccsc1 2295674921 WNCFWNCGRONJKR-DOTOQJQBSA-N 297.508 4.900 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@](C)(OC)C1CC1 2295691134 IUGFYSWVYNHDFB-AEFFLSMTSA-N 283.500 4.920 30 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GESUBGJBNSJUQU-IZZDOVSWSA-N 298.357 4.819 30 10 CJEE Cc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc1 83204870 NWTUKJQTYMRUFD-MDWZMJQESA-N 280.367 4.678 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Sc1ccccc1Br 93955909 QLMCRTHYPOEORU-GWCFXTLKSA-N 296.233 4.624 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1ccc2c(c1)CCC2 94588889 CGQWGRAMWLVABK-AWEZNQCLSA-N 280.502 4.860 30 10 CJEE Fc1ccc(F)c(SC[C@@H](CS)c2ccccc2)c1 94589301 RVNONMMEQSMXNU-GFCCVEGCSA-N 296.407 4.771 30 10 CJEE C=C(CC)CNc1ccc(Cl)cc1C(F)(F)F 97191719 WAOZNPMAYUVMNZ-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE C=CCCC[C@@H](CCc1ccccc1C)NCCC 97220155 GWJWLLIASHYTHK-SFHVURJKSA-N 259.437 4.652 30 10 CJEE C=CCc1cc(C=O)cc(C)c1OCCCCCCC 100132423 DAJYVBOPULFBJJ-UHFFFAOYSA-N 274.404 4.885 30 10 CJEE CCCCCCCCCCCCCNCCOC 104012629 MEQMIQQGBUSFKG-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE Cc1cc(C#N)ccc1Oc1cccc(Cl)c1Cl 104168697 DFCWJYBYAOAVCZ-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CC[C@H]1O[C@@H]1CCc1c(Cl)ccc(Cl)c1Cl 107503759 XWOIURQWVTXRCO-GHMZBOCLSA-N 279.594 4.757 30 10 CJEE C=C[C@H](C)Cc1cc(Cl)cc(Cl)c1OCC 107656267 DGFOSXJBTJATKS-VIFPVBQESA-N 259.176 4.757 30 10 CJEE CCCCCCCC[C@]1(N)CCCc2ccccc21 109703121 FJAQELAKKWZEPW-SFHVURJKSA-N 259.437 4.928 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(C(C)(C)C)CC2)C1 110265346 HSLFTHRZBQZEIW-SOLBZPMBSA-N 290.495 4.853 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(C#N)cc2Cl)cc1 110381864 VJJHIEFVDBYUPN-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE C[C@H](Nc1c(F)cc(C#N)cc1F)c1cccc(Cl)c1 111141935 YBERVXXHGBEWKL-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCCN1CC2(CCCCC2)NC[C@@H]1C 114068990 NCYKOTAETBUQTB-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1[C@@H](C)NC 115854930 BSIGZISOCDQVMI-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)N1CCCC1 118144008 GGCMANKUSYSHQZ-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCOc1c(F)cc(C=O)cc1F 118262167 UNPMHJFSJZUPSQ-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(OC)ccc1F 125293818 AHKZYBYVOOBJPH-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE N#Cc1ccc(Oc2c(C#N)oc3ccccc23)cc1Cl 126006570 VQUIGYKHVYGUQU-UHFFFAOYSA-N 294.697 4.622 30 10 CJEE C#CC[C@H](CC)N[C@@H](c1ccccc1)C1CCCCC1 129811778 WKVCGBHNTFXRQO-OALUTQOASA-N 269.432 4.700 30 10 CJEE CCCCc1ccc(OC[C@H](CS)CCC)cc1 130407307 RBIRCLBCLIFELR-OAHLLOKOSA-N 266.450 4.754 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@]1(C)CCCS1 134006198 LTVOQXCZCHRKNU-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CCCCN(C)c1cc(C)c(F)cc1[C@H](C)NCCC 135984524 BYQLDJPYBLHYTO-HNNXBMFYSA-N 292.442 4.597 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)C 156233523 GVAJUHANGBGDRX-XHSDSOJGSA-N 251.458 4.639 30 10 CJEE C[C@@H]1CC(Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)C1 157920558 SOIHEBSGGZXFGQ-QWRGUYRKSA-N 296.336 4.814 30 10 CJEE Cc1ccc(C#N)cc1NCc1c(Cl)oc2ccccc12 164472265 XDTPHKLOMGHOEN-UHFFFAOYSA-N 296.757 4.878 30 10 CJEE CCCCCCCCCCNc1nc(C(=O)O)c(C)s1 164693065 XQWZRHPJKYOYDG-UHFFFAOYSA-N 298.452 4.702 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 164932262 SQIXPWLGKXPHQO-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cncs1 165558291 JTGIDCCJMAACLO-LLVKDONJSA-N 276.430 4.594 30 10 CJEE CCCCCCCCC[C@]1(CNC)CCO[C@@H]1C1CC1 166161990 IVRFWXVRZYTFJO-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)Cc1ccccc1 167189950 OWGUZGWMZGYDNX-SFHVURJKSA-N 289.463 4.656 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 167457270 QBYXPAKALVSGGY-MWLCHTKSSA-N 284.186 4.606 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CCO[C@@H]1C1CC1 168357478 SGTZNFIIGXGSME-RTBURBONSA-N 293.495 4.674 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]([C@@H](C)O)C1 168385087 UUCNCMXPFUKMTI-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1F 184641380 YPHXYVJKLINNAH-LLVKDONJSA-N 288.753 4.718 30 10 CJEE Cc1cc(C)c(/N=C(\Br)C(F)(F)F)c(C)c1 196101369 GHJXXKLPPXFRJH-YBEGLDIGSA-N 294.114 4.599 30 10 CJEE CCCCCCCCOc1ccc(/C(C)=N\O)cc1OC 207624097 MVRBXDSXRLFEOA-JXAWBTAJSA-N 293.407 4.633 30 10 CJEE CCCC[C@@H](CCC)Nc1ccc(C#N)cc1Cl 226033372 YMMINUDOYFIRFH-CYBMUJFWSA-N 264.800 4.982 30 10 CJEE CCCC[C@H](CCC)N[C@@H](CC#N)c1ccccc1 226038983 OULXMIRZQGVQFK-IRXDYDNUSA-N 258.409 4.590 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@@H](N)C1 226305064 QIFOPWFPGOVHSB-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@H](N)C1[C@@H]2CCC[C@@H]12 229149150 AANUVQOAYFYJNH-OAGGEKHMSA-N 251.458 4.891 30 10 CJEE CC(C)(CCC#N)CNc1c(Cl)ccc2scnc12 229675056 YAIVWTXZXADXSC-UHFFFAOYSA-N 293.823 4.692 30 10 CJEE CCCCCCC[C@@H](Cc1cc(Cl)ccc1F)NC 231221812 WPVLIXMMHWKKGY-HNNXBMFYSA-N 285.834 4.970 30 10 CJEE CCCCCCCCC(=O)Nc1c(C)ccnc1Cl 232918579 AXZOMQGHQOWHTH-UHFFFAOYSA-N 282.815 4.733 30 10 CJEE C=CCCCCCC(=O)c1cc(C)nc2ccccc12 235839427 RAVILHOENKEVRE-UHFFFAOYSA-N 267.372 4.862 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1C[C@@H]1c1ccccc1 236403907 AJUAKWLKYYHXBY-SJORKVTESA-N 254.373 4.640 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)[C@H]1C 253109819 WSRINAQJFOSIME-NXBFSHDWSA-N 290.495 4.707 30 10 CJEE CC(C)(C)c1csc(NN=Cc2ccc(Cl)cc2)n1 254399617 HWSOWFBJKZEPOW-UHFFFAOYSA-N 293.823 4.540 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3c(C)cccc3s2)c1 308149239 FWHLRVGYPAQFEG-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE C=CCOc1ccc(CNCC2CCC(C)(C)CC2)cc1 313922384 BDZARNIESYUTGU-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE CC1(C)CCC(CC2(C=O)Cc3ccccc3C2)CC1 317450456 SPKBUPNQNAWKOU-UHFFFAOYSA-N 270.416 4.577 30 10 CJEE C[C@H]1CCC[C@@H](CC2(C=O)CCC(C)(C)CC2)C1 317635653 XEKGEXKUPWTHMW-LSDHHAIUSA-N 250.426 4.988 30 10 CJEE CCCCCCCOCc1cc(C)nc(Cl)c1 318865487 PJIKQXIOSRHCPA-UHFFFAOYSA-N 255.789 4.530 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)Sc1cccc(Br)c1 319629974 ATEJZZJJKUFFAV-MFKMUULPSA-N 298.249 4.725 30 10 CJEE CCCCCCCCOc1cccc(C(=O)O)c1Cl 328226956 MZWZKGBMHPGTMU-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H]1CC[C@H](CC)CC1 380997319 JARVBCUQMLMMQI-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(C)(F)F 393245052 AIQLIESOGZBXDC-AWEZNQCLSA-N 278.431 4.785 30 10 CJEE CC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2ccc(Cl)cc2)CC1 393332247 WLOGBXWGMDBVGZ-NOLJZWGESA-N 289.806 4.733 30 10 CJEE Cc1ccc(N[C@@H](C#N)C2CCCCCCC2)cc1 394003136 GVRNUTBAHNDOLA-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE N#C[C@H](CNc1ccc2sccc2c1)C1CCCC1 397095031 AVGSJBDKAHZGTE-CQSZACIVSA-N 270.401 4.643 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1CCOC1)NC 400957092 HLHZWJJEMIZLIH-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)cc1Cl 401433573 YXOOAQZBJOSNQT-KGLIPLIRSA-N 276.811 4.840 30 10 CJEE N#CCc1cc(Cl)nc(-c2cc(Cl)cc(Cl)c2)c1 514262847 SDDGXXFEEHISEH-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE COc1ccc(Cl)c2c(C3=CC[C@@H](C#N)CC3)c[nH]c12 527404647 LIDNRNQRCBMTCP-SNVBAGLBSA-N 286.762 4.537 30 10 CJEE CCc1c(OC(F)F)cc(C(F)(F)F)cc1C(F)F 575653627 ICCUOSNTKPZCKW-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1C1CC1 695874244 VVVMQCHYRBVBPL-NVXWUHKLSA-N 288.822 4.617 30 10 CJEE CC(C)c1nc([C@@H](C#N)Nc2ccccc2Cl)cs1 696440483 BWVOLHHFJHNSMI-GFCCVEGCSA-N 291.807 4.597 30 10 CJEE C=C1C[C@H]2CC(NCCC3(C)CCCC3)C[C@@H](C1)C2 697304853 RCPNMIWPZWHLHI-SJPCQFCGSA-N 261.453 4.681 30 10 CJEE CN(CCCC(C)(C)C#N)[C@H]1CCCC(C)(C)CC1 697841627 DJZWEIVMTTVMBK-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE CCCCCCCC[C@H](NCC)C1(C(F)F)CC1 700074571 NAYWCSTXTNUEHE-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE C=CC(C)(C)CCNC1CCC(C(C)(C)C)CC1 701856936 ZLYPNGMKBLIZIA-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE Cc1ccc(COc2ccccc2C(C)C)cc1C#N 701879380 FJNUEXJJONGQJC-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C=O)CCCc2ccccc21 703892262 MJCAIZZGTWILAS-HNAYVOBHSA-N 272.432 4.922 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccsn1 705332260 UMLJCMZKYRLUSF-CQSZACIVSA-N 255.427 4.707 30 10 CJEE C=C(Cl)C[C@@H](CSc1cccc(C)c1)NCCC 710585891 VHISCFUZPJQMHA-AWEZNQCLSA-N 283.868 4.598 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H]2CC[C@H](C2)C1 711119800 PHRSIGWFRBKAJN-QDMKHBRRSA-N 273.445 4.955 30 10 CJEE CCCCCCCC[C@H](NCC)C1C[C@@H](C)O[C@H](C)C1 724280402 TVZXKZWWQAIJTO-NUJGCVRESA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](Cc2cc(C)cc(C)c2)NC)CC1 724553733 NFIVJTMNGKPWHZ-IBGZPJMESA-N 271.448 4.570 30 10 CJEE C=C1CCC(C[C@H](CC(C2CC2)C2CC2)NCC)CC1 724561100 VTBVYNXSNSUEPB-GOSISDBHSA-N 275.480 4.927 30 10 CJEE C=CCCCC(=O)Oc1ccc(C(C)(C)C)cc1C 1124250105 KTUCHBDKPYNOJH-UHFFFAOYSA-N 260.377 4.554 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H]2CCCC)CCCCC1 1125775747 XOSYHQDDWMFIDF-DLBZAZTESA-N 291.479 4.988 30 10 CJEE C=CCC1(CNC(=O)C[C@@H](CC)CCCC)CCCC1 1128862529 YRNPQVNWEKDFBQ-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CC(C)(C)CNC(=O)c1cccc(-c2cccc(C)c2)c1 1128871327 MMZNUHFCWBTEAE-UHFFFAOYSA-N 293.410 4.604 30 10 CJEE C=CCC1(NC(=O)/C=C(/CC)c2ccc(C)cc2)CCCC1 1131251305 CFRCBGXWNFGSCC-ICFOKQHNSA-N 297.442 4.794 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@](C)(CCC)C1)c1ccccc1 1148193209 VGPIBWXOKJNZMB-PXNSSMCTSA-N 299.458 4.775 30 10 CJEE C=CCCCCCN(Cc1cccs1)C(C)C 1167193524 ZFDZPHYHSKNTND-UHFFFAOYSA-N 251.439 4.705 30 10 CJEE C#Cc1ccc(CNCC2CC(C)(C)CC(C)(C)C2)cc1 1203068656 WTSKLUOPNCORSL-UHFFFAOYSA-N 283.459 4.610 30 10 CJEE C=CCCCCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1205471661 PQTREHNQQWIAAF-AEFFLSMTSA-N 291.866 4.997 30 10 CJEE C=CCCc1ccccc1NCC1Cc2ccccc2C1 1205504016 PYDMZYPEFIIGDC-UHFFFAOYSA-N 277.411 4.632 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2nc(C#N)c(Cl)s2)CC1 1307103052 GXOSBSITPIQSML-QWRGUYRKSA-N 297.855 4.685 30 10 CJEE C=C(C)CCSc1nc(C(C)C)nc2ccccc12 1307336601 MYHPDSLCJRQWCF-UHFFFAOYSA-N 272.417 4.812 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](COC)c1ccc(Cl)cc1 1308725823 VMLRZMWXWRBNKG-SJORKVTESA-N 295.854 4.752 30 10 CJEE C=C(C)CCN[C@@H](C)CC12CC3CC(CC(C3)C1)C2 1308774712 UAZQMVFZKJKGGM-NUVRTYOOSA-N 261.453 4.537 30 10 CJEE C=C[C@@H](CC)CC(=O)NCC1CCC(c2ccccc2)CC1 1360214260 VWYPAUHTYHFGQS-MUYFXNHWSA-N 299.458 4.679 30 10 CJEE C=C[C@@H](OC(=O)c1cc2cccc(F)c2o1)c1ccccc1 1437635799 BYKKVZTVKDLJRY-OAHLLOKOSA-N 296.297 4.656 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 1458275966 YBBKUEZKDLFGGZ-RYRKJORJSA-N 287.447 4.677 30 10 CJEE C=CCC[C@@H](C(=O)N1CCCCC[C@H]1C)c1ccccc1 1459190180 YJLHZIUDNLEUGI-SJLPKXTDSA-N 285.431 4.528 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(c3ccc(C)cc3C)CC2)C1 1461538791 BNOIOBUDWJPNNU-MSOLQXFVSA-N 283.459 4.669 30 10 CJEE C#Cc1ccc(NCc2ccc(OCCC)cc2)c(Cl)c1 1461794975 LFJDWSJEZIUTGG-UHFFFAOYSA-N 299.801 4.722 30 10 CJEE C=CC[C@H](CC)N[C@@H](CC)Cc1ccc(Cl)cc1 1462162489 KSOAVIYGYMNJHV-HOTGVXAUSA-N 265.828 4.605 30 10 CJEE CCCCCCCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 1473271466 BQNANULQUBDNHT-DOTOQJQBSA-N 295.492 4.870 30 10 CJEE C=CCCCN[C@@H](c1cccs1)C(CC)CC 1473322602 TYQNISMWRIXAGH-OAHLLOKOSA-N 251.439 4.781 30 10 CJEE C=CCOc1cccc(CNC(C)(C)CC(C)(C)C)c1 1473922942 QFAVBZFKJUIKDK-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 1473928174 GJAVFSRDOYGMSV-XJKCOSOUSA-N 291.435 4.697 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)c1ccc(Cl)cc1 1521753667 QOUXFECDYVGTPP-ZDUSSCGKSA-N 279.811 4.685 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](C)CCC=C(C)C)c1ccccc1 1521931580 HFUVXOACSSNTQK-DLBZAZTESA-N 285.431 4.597 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C3CCCCC3)C2)CCCC1 1531215843 PQNYQUWSAAZWMV-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE C=CCCC(=O)N(CCCc1ccccc1)c1ccccc1 1535138029 XXGMCADZEIGGAJ-UHFFFAOYSA-N 293.410 4.619 30 10 CJEE C=CCOc1ccc(OC(=O)[C@H](CCC)CC(C)C)cc1 1539141943 KRLDPHJERGBJSZ-OAHLLOKOSA-N 290.403 4.619 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc2ccc(F)cc2o1 1559235129 JXPFFAIPAUGJBV-YPMHNXCESA-N 274.339 4.514 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 1560367973 AESQNOCWPOYFKI-TUVASFSCSA-N 289.385 4.690 30 10 CJEE C=C[C@@H](OC(=O)c1sccc1SC)c1ccccc1 1586195565 ZFUXZBUCYIPFNW-GFCCVEGCSA-N 290.409 4.554 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 1596123871 NSAKSWKYJULPCG-MRXNPFEDSA-N 291.410 4.631 30 10 CJEE C=C(C)CCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 1617792309 PEHNHUITBBNBFJ-CYBMUJFWSA-N 285.353 4.534 30 10 CJEE C=CCOc1ccc(CNC[C@@H](C)C(C)(C)C)cc1Cl 1621070285 AUQQWJRMCLFRQM-CYBMUJFWSA-N 295.854 4.677 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)NCC[C@@H](C)CC(C)(C)C 1634300614 OMTWJVMMUPRHTK-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE C#CCC1(NC[C@@H]2CCC[C@H](CC)C2)CCCCC1 1651609547 AUBPEKOBPGBDBS-DLBZAZTESA-N 261.453 4.519 30 10 CJEE N#CCc1ccc(CN2CCC(C3CCCCC3)CC2)cc1 1654138951 DZNPVHRIZZHFMZ-UHFFFAOYSA-N 296.458 4.545 30 10 CJEE C=CCCC[C@H](NCC(=C)Br)c1ccccc1 1654659860 GKPKVBHVZOAPAR-HNNXBMFYSA-N 294.236 4.582 30 10 CJEE C=CCCC[C@H](C)Nc1nc2cccc(C)c2s1 1655316471 FXXKBHFVWDHHAD-LBPRGKRZSA-N 260.406 4.761 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 1656684804 DOXSZCZJAZZDCE-SWLSCSKDSA-N 283.337 4.540 30 10 CJEE C=CCOc1ccccc1CNC[C@@H]1CCC[C@@H](CC)C1 1657230988 IECJMCDIGRQAIK-IAGOWNOFSA-N 287.447 4.557 30 10 CJEE C#Cc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 1657270221 XFRDWQIWKBHLPB-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=CCOc1ccc(CN(CC(=C)Cl)C(C)(C)C)cc1 1657741697 FVKJBTMXXHCGNH-UHFFFAOYSA-N 293.838 4.604 30 10 CJEE CCC1(CC)CCC(Nc2cc(F)cc(C#N)c2)CC1 1657817476 OLQFYVKJVIFZLN-UHFFFAOYSA-N 274.383 4.858 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)CCCC(F)(F)F 1659683261 BXDDHDADMIMZEO-STQMWFEESA-N 265.363 4.832 30 10 CJEE C=CCC[C@H](CC)NCc1cc(Cl)cc(Cl)c1F 1659847780 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2304116474 YVEIODISTBMPPJ-LSDHHAIUSA-N 297.236 4.783 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1C(F)F 2308735656 SNLDFPCFOOXEPN-HZSPNIEDSA-N 261.400 4.616 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@@H]1C[C@H]1C1CCCC1 2311588997 IDAPKLCFBDVMGN-ULQDDVLXSA-N 250.426 4.988 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](O)CC)cc1 2313654764 MNKVYBQJTRTBRJ-MRXNPFEDSA-N 262.418 4.743 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1C[C@H](SC)C1 2314176216 CTLTVYBOJBABHG-JYJNAYRXSA-N 270.482 4.796 30 10 CJEE CCCCCCCCCCOC[C@@](C)(CC)CN 2320209351 RBPCTIDEVZCSRS-INIZCTEOSA-N 257.462 4.519 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC(CC(C)(C)C)C1)NC 2321097799 FGPRXEULSXOONF-LMPOIIKSSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C(C)(C)C)CCC1)NCC 2321119458 YTPYODRIXKUHHT-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=C[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2Cl)C1 2325240837 QLBAJMSMDRGPOF-SNVBAGLBSA-N 288.193 4.531 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C[C@H]2CC[C@@H]3C[C@H]23)CC1 2331317960 VVGPHUNNSPSFOB-WCVJEAGWSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1[C@@H](C)C1(F)F 2333365105 COFIWSIQVSPBCZ-KFWWJZLASA-N 274.395 4.945 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333706223 INLLZUSWWCATPV-TUVASFSCSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCCCCO[C@@H](C)CCCNC 2336318727 UFJNXAOLDHWMMP-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)c2ccccc21 2337107700 WHNSWBXQZIEUAJ-IHETXDGRSA-N 255.405 4.569 30 10 CJEE CC(C)(C#N)c1ccnc(SCCCCC2CC2)c1 2338340004 UHFWOBHKLGWZLO-UHFFFAOYSA-N 274.433 4.555 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc2c(s1)CCCCC2 2338741382 NGIGBPIYYISXHJ-KRWDZBQOSA-N 275.461 4.785 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C(F)F)C(C)(C)C)NC 2338747751 SUOSUZSECZNCPU-UONOGXRCSA-N 273.411 4.660 30 10 CJEE CCCCCCCCCCOC[C@H](O)CC1CCC1 2340846904 QBLWGFJALPSUOW-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE CC1(C)CC[C@@](C#N)(CCCC2=CCCCC2)C1=O 2341041124 KFGZXAFCRNYGKY-QGZVFWFLSA-N 259.393 4.556 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CCCC1=CCCCC1 2341108421 RNIAFOLMGKUKHK-HDICACEKSA-N 259.437 4.840 30 10 CJEE CC(C)=CCC[C@@H](C)OC[C@@H](CS)c1ccccc1 2341742607 OWUJXWOSDSVINL-WBVHZDCISA-N 278.461 4.852 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]1c1ccccc1)NCCC 2341925494 ZYKMKFAJBHWYRE-KURKYZTESA-N 257.421 4.515 30 10 CJEE C=C1CC(C[C@H](NCC)c2cccc(C(C)C)c2)C1 2343600250 DRZKNCNRIWGMSC-SFHVURJKSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cccc(Cl)c1)NCCC 2344336514 JPWSTVOGNDBWKJ-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1C[C@H]2CCC[C@H]1CC2 2344346989 XSHMFEIOUSCSRX-AVEIZBFRSA-N 263.469 4.913 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C(CC1CC1)CC1CC1 2344394568 DMUOVCJNADHVLT-KBXCAEBGSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CCCC(F)(F)C(F)(F)F 2344465652 ZEWJOGXZEVWHNA-GHMZBOCLSA-N 288.300 4.708 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CC[C@@H]2CCC(C)(C)C2)C1(C)C 2344879402 BUCQPZZZYFHDJH-JJRVBVJISA-N 263.425 4.548 30 10 CJEE CSc1cc(N[C@@H]2CCC[C@H]2C(C)C)ccc1C#N 2353830776 OMTUVGYPCONCOA-LSDHHAIUSA-N 274.433 4.517 30 10 CJEE CC[C@H]1CC[C@H](CN(C)C[C@H](CS)CC(C)C)CC1 2353838744 YERNPHZNKRCIHN-BRWVUGGUSA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CCC[C@@H]1C[C@@H]1C 2356072101 FPRKLMFPNQJSQO-GVDBMIGSSA-N 282.468 4.883 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2357716978 PIENPEDNVFDRAT-GDAAHCPNSA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CC[C@@H]2C[C@H]1CO2 2359117266 XBZBGLVCKMSWOR-MHORFTMASA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccc(O)cc1C 2360254515 XYAHWRCGOXHPPG-MRXNPFEDSA-N 277.452 4.929 30 10 CJEE CCCOc1cccc([C@H](C#N)NCCC2=CCCCC2)c1 20176656 XWOVUXZPDRQACI-IBGZPJMESA-N 298.430 4.520 30 10 CJEE N#C[C@@H]1CCC[C@H]1Sc1cc(Cl)ccc1Cl 37154553 FCJYVCWFEWFWQF-GZMMTYOYSA-N 272.200 4.778 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 37935457 IMPZBFFFEBMNLF-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE Cc1ccccc1Sc1ccc(C#N)cc1Cl 40950403 XNDBEERQWNGTKH-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE in-vivo CCC(C)(C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 54403237 KXJHXHHCYBIOCN-SECBINFHSA-N 284.186 4.606 30 10 CJEE CCC[C@@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1 54827073 JLCGAJWAHWXYRQ-RBSFLKMASA-N 276.449 4.651 30 10 CJEE Cc1ccc(Sc2nc3ccccc3cc2C#N)cc1C 71390671 MXVRFDJXYDBHSJ-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)CC1 86942420 RYCYZEYNGBBVLO-CVEARBPZSA-N 286.419 4.606 30 10 CJEE CC(C)[C@@H](CS)CSc1ccccc1Cl 87096466 HGYUXVVNOMWWBR-JTQLQIEISA-N 260.855 4.634 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 87930558 BBCBMBSUCQXKAB-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CCCc1c(-c2cccc3ccccc23)sc(C#N)c1N 93074534 RXUNRSWDKGPAMF-UHFFFAOYSA-N 292.407 4.975 30 10 CJEE C=CCCc1ccc(C(F)(F)F)cc1C(F)(F)F 95631402 UJGJZOSDOBEITJ-UHFFFAOYSA-N 268.200 4.843 30 10 CJEE C=C(CC)C[C@@H](Cc1c(Cl)cccc1Cl)NCC 97208586 FNTNRWAYIKRLRH-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCCc2sccc21 97220309 MCCNZKSPSKCBPM-ZFWWWQNUSA-N 263.450 4.502 30 10 CJEE CCCCCCCn1c(CCCC)nc2c(N)cccc21 104324994 YFADHICZJBXACT-UHFFFAOYSA-N 287.451 4.932 30 10 CJEE O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c1cccs1 105453536 WSBCXKFTNSOVJL-BQYQJAHWSA-N 297.301 4.575 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(C)c(C)cc1Br 107479893 MGHSBILJYHIUPP-MFKMUULPSA-N 279.221 4.829 30 10 CJEE CC#C[C@@H](C)Cc1cc(C(C)(C)C)ccc1OCC 107601071 GNZJMQXGEKGQDH-CQSZACIVSA-N 258.405 4.585 30 10 CJEE CCCCCCCCCCOC(=O)c1sccc1N 109895742 VAKNIGYKZGFBLM-UHFFFAOYSA-N 283.437 4.628 30 10 CJEE CCCCCCCO[C@H](C)[C@@H](NCC)c1ccccc1 110081588 SOPAFVQVVRZPJQ-SJLPKXTDSA-N 277.452 4.713 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](NC)c1ccccc1 110084059 RJDOAWMUJZUSIQ-SJLPKXTDSA-N 277.452 4.713 30 10 CJEE CCCCCCCCOCc1cc(CNCC(C)C)co1 110171290 VYNUXRFCOXMYDJ-UHFFFAOYSA-N 295.467 4.902 30 10 CJEE CCCCCCC[C@@H](CNC)Cc1cccc(F)c1 110189328 GSICOOURXFVRTF-MRXNPFEDSA-N 265.416 4.564 30 10 CJEE CCCCCCCCCCn1nc(C)c([C@@H](C)NC)c1C 110267775 DFFSRMQMZUEMHU-OAHLLOKOSA-N 293.499 4.921 30 10 CJEE CCCCCCCN(CCC)C1(CN)CCC(CC)CC1 110520360 QNHYAYIPMHNUAW-UHFFFAOYSA-N 296.543 4.967 30 10 CJEE CCCCCCCCCCCC(=O)N(C)[C@@H](C)CC#N 112733702 VQKFQAPPLBLDDX-INIZCTEOSA-N 280.456 4.668 30 10 CJEE CCCCCCC[C@@H](O)c1ccccc1Br 112886158 ZAKNLINXCDOJIT-CQSZACIVSA-N 285.225 4.843 30 10 CJEE CCCCCCCCCCNCc1cccc([N+](=O)[O-])c1 113013487 GOCKWYSMYAFHIA-UHFFFAOYSA-N 292.423 4.825 30 10 CJEE CCCCCCCCN1C[C@@H](CC)NCC12CCCCC2 114062489 XBRSYADQXISFQM-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(CC)o1 115063088 JMJXLESRKJQEJI-HNNXBMFYSA-N 251.414 4.983 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)cc(Cl)c1 122355517 OOAWCTCLRQMSTA-INIZCTEOSA-N 282.859 4.903 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)CCO[C@H]1C 125201228 IHMRTXMZGFXMRF-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](O)[C@H](C)Oc1cccc(Cl)c1 135356763 TTXVNMDIVVLWIP-XJKSGUPXSA-N 284.827 4.829 30 10 CJEE CCCCCCCCC[C@H](C#N)NC(=O)OC(C)(C)C 137342941 DMHZVGZPISMWON-CQSZACIVSA-N 282.428 4.544 30 10 CJEE CCCCCCC[C@H](NC)C1(OCC)CCC(C)CC1 158452963 NKXBUHOBUPLPGG-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(C)cc1O 160790917 VEDBBHJNESKFIF-HNNXBMFYSA-N 263.425 4.712 30 10 CJEE CCCCCCCC(=O)C1(OC)CCCCCC1 161298331 OSGMBSKOQCOYOZ-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(Br)cc1C 167784986 BUVJONCKHNMFST-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@H](CCC[C@@H]1CCCO1)NC 169273564 ZVUQZPKFIWKPDG-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(Cl)c1C 220443201 JIJGKEVRWFSTQR-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 221801686 FAHNHVHREIHTGO-KEYYUXOJSA-N 270.420 4.724 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2F)C1 222245633 NSJRUOGIGXJEEU-JMSVASOKSA-N 263.381 4.636 30 10 CJEE C=CCCCCC[C@H]1CCCc2ccccc2C1=O 232590777 RBCFAXAUWMVPPP-INIZCTEOSA-N 256.389 4.958 30 10 CJEE CCCC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 233051823 KVUIJJFVVUIUDB-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(Cl)cc1C 233532682 MTEMKLRBJBCXCI-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE Cc1ccc(N(C)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1 235156300 CAKWPMSDHKXJHP-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE O=C(C1=CCCCCCC1)c1cc2ccccc2o1 236394206 YSYABZXTKAYMHF-UHFFFAOYSA-N 254.329 4.896 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@@H]1[C@H](C)CC 250803114 DOTSUWLAUOKHLH-QZTJIDSGSA-N 294.527 4.590 30 10 CJEE N#C[C@H]1CCc2ccc(F)cc2[C@@H]1C1CCCCC1 260700993 UZSIYRSTQLBEIT-RHSMWYFYSA-N 257.352 4.576 30 10 CJEE CCCC(CS)(CCC)CN1CCC2(CCC2)CC1 308743279 NMVMECBLWOSLFY-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H](CCC)CC1 311226369 RCHKTGLEJRBMKW-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@H]1CCCC[C@@H]1C(F)(F)F 311993513 QJFBWYVNJMFRIP-KBPBESRZSA-N 277.374 4.834 30 10 CJEE CCCCCCCCC[C@H](O)CCC1(OC)CCC1 312057865 BDGSPACXPKYQSF-INIZCTEOSA-N 270.457 4.837 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCCCC12CCCC2 312680135 CWPNLTIKZJFUOW-MRXNPFEDSA-N 268.404 4.782 30 10 CJEE N#CCc1cccc(NCC2CCCCCCC2)c1 313435480 HCRYZWZLOJAEDV-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)CC[C@H](C)C1 318102928 RIVDNHCRXWKQCO-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1 318671992 ZKDFGJMKKJGKNV-SJORKVTESA-N 251.458 4.785 30 10 CJEE CC[C@](O)(C1CCC1)C1(C#N)CCC(C(C)(C)C)CC1 322943337 PUZFBMFFJLTLPB-UYJHFMRCSA-N 277.452 4.674 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCC[C@@H]1C 384494733 AFBNRDJITPQTQG-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE C=CCCCCNC1CCC(C(C)(C)CC)CC1 385523439 PVQKOEXQOGDUKB-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE Cc1ccc([C@@H](C)N(C)CC2(CS)CCCCC2)s1 387281519 OHJAWLSSFDJJTD-CQSZACIVSA-N 297.533 4.930 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2c(c1)COC2 388536245 MGVPPBOOLJPNNZ-AWEZNQCLSA-N 261.409 4.878 30 10 CJEE C=CC[C@H](CC)N[C@H]1CCSc2ccc(Cl)cc21 393788113 ZPDCVVFNNWUDCM-JSGCOSHPSA-N 281.852 4.821 30 10 CJEE CC(C)CC1(C/N=C2/N[C@@H](C(C)(C)C)CS2)CCCC1 393988282 FBWGCMBTACXWPG-CQSZACIVSA-N 296.524 4.700 30 10 CJEE Cc1c(C2=CC(=O)CC(C)(C)C2)ccc2ccccc12 395015081 NKKOAVBJCRWBBX-UHFFFAOYSA-N 264.368 4.921 30 10 CJEE N#CCc1csc2c(C(F)F)cc(Cl)cc12 396183696 ACWQWVWHBOGUFN-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1cc(NC[C@@H](C#N)C2CCCCC2)c(Cl)cc1F 397095049 AIABMHLHYFVXJW-CYBMUJFWSA-N 294.801 4.920 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1ccccc1Br 397514426 RETLKQGHMBKUPZ-SNVBAGLBSA-N 298.249 4.727 30 10 CJEE C=CCO[C@H]1CCCCCCCCCC[C@@H]1NCCC 403910498 OTKVQGBOXGURIJ-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCC[C@@H](NCCC)c1cscc1Br 404801599 VMJMZYADYVDKQH-GFCCVEGCSA-N 288.254 4.518 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(Cl)c1 410346030 GDWRCUOXZCOEAL-UHFFFAOYSA-N 285.774 4.711 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)C1CCCC1 669675696 SOXPQAIEEVVHBN-AWEZNQCLSA-N 271.404 4.570 30 10 CJEE C=CCCC[C@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 678714695 JVYMTROINFVDDT-JKSUJKDBSA-N 298.430 4.752 30 10 CJEE C#CCCCCCC1(CN)CCC(C(C)(C)C)CC1 686709678 XSBQSVPKZLKIAR-UHFFFAOYSA-N 263.469 4.752 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](CC)CC(F)F)NN 688882105 SYKJVDMHXLFNEK-KGLIPLIRSA-N 278.431 4.640 30 10 CJEE Cc1ccc(Nc2cc(Cl)cc(F)c2F)c(C#N)c1 691331037 NZZBKVGJGAKGRA-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CSCc2ccccc21 692234796 MGKDBOTXBVMYCZ-OLMNPRSZSA-N 287.472 4.699 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C)cc1C 692271238 GYBWPTPAQAEASU-AEFFLSMTSA-N 257.421 4.528 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(Cl)cc1C#N 695702670 AMSBTIQNFQTFKC-RISCZKNCSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC[C@H](O)CC1(CN)CCCCC1 696221659 JEXHREJYOWMTNX-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE CCC(C)(C)CCNc1cc(Br)ccc1C#N 696805505 JRPAHQXTRQVBCN-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCCCCCCCOCC[C@@H]1NCCC[C@@H]1C 697226221 WCSNCSNGXUQAOU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C)Oc1ccccc1 700356978 UBEBBSKLAVIXLM-IAGOWNOFSA-N 277.452 4.793 30 10 CJEE C=CCCCCC[C@]1(CNC(C)(C)C)CC1(C)C 702179619 WFKWBBLGUCCBEB-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2ccncc2c1 702706139 UXRSQYBPSJSUCQ-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1c(Cl)cccc1C(F)(F)F 715724287 UYECXLCKMGRGIF-QPUJVOFHSA-N 277.717 4.571 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NCC 716925776 LGXUVULCEMNGQR-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC(C)(C)CO1)NC 717028528 OYAYXYLZEIPSKP-CVEARBPZSA-N 269.473 4.530 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCCCCC1(C)C 718965823 PGIJWHQJCNQMPY-OAHLLOKOSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)CC=C(C)C 719624034 LSHUFCAVLAMEAJ-MRXNPFEDSA-N 267.457 4.770 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)CCCC2CC2)CC1 720148293 NRYMPGUUPKKYIZ-UPTPFMHGSA-N 277.452 4.674 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)CC[C@H]2CNC2CC2)CC1 724617188 OGXCWAFODWXKTI-NJAFHUGGSA-N 275.480 4.927 30 10 CJEE CSc1c(CC#N)cc2sccc2c1C(F)(F)F 725316498 YZGXHAPFRKFLIA-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CSc1ccccc1C#Cc1cc(Cl)ccc1F 725444462 HYPOLTIANPNENE-UHFFFAOYSA-N 276.763 4.601 30 10 CJEE CC(C)(C)CCCNc1ccc(Br)c(C#N)c1 821914432 UWSXMBLMKYZCAV-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](CCC)CCCC)c1ccccc1 1126742930 HDZAZMKOILXFPU-ZWKOTPCHSA-N 287.447 4.821 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)c(C)cc2Cl)CCC1 1129114395 TUDFDOADIYDCPW-UHFFFAOYSA-N 277.795 4.642 30 10 CJEE C=CCC[C@@H](Nc1nc(CC)cs1)c1ccccc1 1185865155 JGWSIWGRCBFYOW-OAHLLOKOSA-N 272.417 4.825 30 10 CJEE CCCCCCCN(CC)CCc1cccs1 1190561506 RQGJDKSRQTVNBF-UHFFFAOYSA-N 253.455 4.583 30 10 CJEE C=CCn1c(C)cc(C(=O)CSCCCC(C)C)c1C 1307322942 HNIJNHHZSWKHLA-UHFFFAOYSA-N 293.476 4.643 30 10 CJEE C=CC[C@H]1N(CCC(C)(C)C2CC2)CCCC1(C)C 1307730265 XFORTJDQGAPMQG-MRXNPFEDSA-N 263.469 4.879 30 10 CJEE C=CCC1(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1 1355787094 MLISDGUMACNROX-UHFFFAOYSA-N 291.394 4.623 30 10 CJEE C=CCC[C@@H](NC(=O)/C(C)=C/c1ccco1)c1ccccc1 1357220961 VHANJNYWUHZPRE-LGHUBQEGSA-N 295.382 4.507 30 10 CJEE C=C1CCC(C(=O)N2CCCC[C@H]2CCC(C)C)CC1 1457900495 BDDPYWMTPKCYRK-KRWDZBQOSA-N 277.452 4.550 30 10 CJEE C=CCOc1cccc(CN[C@H](C2CCCC2)C2CCC2)c1 1461590113 MKJYQMWRWJHYIF-HXUWFJFHSA-N 299.458 4.700 30 10 CJEE C=CCCC(C)(C)CNCc1c(C)c2ccccc2n1C 1461674493 FKWGZYSYTSROJY-UHFFFAOYSA-N 284.447 4.569 30 10 CJEE C=CC(C)(C)CCNC(=O)N[C@@H](C)CCC1CCCCC1 1468791104 UYKFEESDYPOKLO-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(C)ccc1NC 1474493404 PAHKQAKFKCMIIK-UHFFFAOYSA-N 294.442 4.615 30 10 CJEE C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1524475954 VCXUFRIQRYWBPV-CRAIPNDOSA-N 287.447 4.775 30 10 CJEE C=C[C@@H](OC(=O)[C@H]1CCCc2sccc21)c1ccccc1 1528632147 OYNWWXYSQKOTCP-JKSUJKDBSA-N 298.407 4.639 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccc(C)s1)c1ccccc1 1537026975 PJAJRWVJXAJBFO-MRXNPFEDSA-N 299.439 4.884 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 1538733781 ZKBLQZGBRUPTLB-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=C(C)CCN1CCC[C@H]1c1ccccc1C(F)(F)F 1560103068 GAFTWGMBBWKQOV-HNNXBMFYSA-N 283.337 4.809 30 10 CJEE C=CCC[C@H](NC(=O)c1sccc1CC)c1ccccc1 1583038742 XIULWOJTCCHENP-INIZCTEOSA-N 299.439 4.748 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1584948603 WXEBYGAFFJKBQY-GFCCVEGCSA-N 271.404 4.622 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(C2CCC2)c1 1585792980 IPEHZTVGMIZJEM-SFHVURJKSA-N 283.415 4.525 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCc1ccc(C)cc1 1586140119 OSTKBJDBKDQGFU-OALUTQOASA-N 299.458 4.569 30 10 CJEE C=CCC1(C(=O)Nc2cc(OC)c3ccccc3c2)CCC1 1611154900 QMBHDNDUMSIEFH-UHFFFAOYSA-N 295.382 4.533 30 10 CJEE CC(C)(C)c1ccc(C#Cc2cccc(F)c2F)cc1 1614731215 QMNKCESIPMWXJX-UHFFFAOYSA-N 270.322 4.662 30 10 CJEE C=CCCCCN1C[C@H](C(C)C)Cc2cc(OC)ccc21 1618690982 CIEJAGHILVDYKP-QGZVFWFLSA-N 287.447 4.686 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H]2CC(C)C)c1 1628031511 VPCIYJWVCIVKIQ-QGZVFWFLSA-N 286.419 4.762 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(CC(C)C)CCCC2)C1 1650685166 NRSQWNYJOVLXSL-SJORKVTESA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCCC2(CCC2)O1 1653181298 PGUFPZUQIAKVPG-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE C=CCCN(CC1CCC2(CC1)CC2)OCc1ccccc1 1654203090 FJWYEXMKSUSFHT-UHFFFAOYSA-N 299.458 4.967 30 10 CJEE C=C(CC)CN(C)Cc1ccccc1OCc1ccccc1 1654498992 PMMYXFRPJIPMNZ-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C=CCC1(CNCc2ccc(C)c(C)c2)CCCC1 1656242122 WABJJUZVWTYMCY-UHFFFAOYSA-N 257.421 4.530 30 10 CJEE C#CCCOc1ccc(CN[C@@H]2CCC[C@@H]2CCCC)cc1 1656310318 SFFYJAABVOIVLF-AZUAARDMSA-N 299.458 4.537 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2c(Cl)oc3ccccc23)C1 1657672855 VPNUKZCYBOGWLB-STQMWFEESA-N 289.806 4.921 30 10 CJEE C=CC[C@@H]1N(C[C@H]2CCC[C@@H](C)C2)CCCC1(C)C 1658465942 DLIBFJUSPBXSEI-IKGGRYGDSA-N 263.469 4.879 30 10 CJEE C=CCn1ncc2ccc(NC3CCC4(CCC4)CC3)cc21 1665790004 MPSDHUSMQYOHIZ-UHFFFAOYSA-N 295.430 4.747 30 10 CJEE C=CCCCCCCCNC(=O)NC1(C)CCCCC1 1682951632 LLDJDUBYKCXRPZ-UHFFFAOYSA-N 280.456 4.535 30 10 CJEE N#CCCCSc1nc(-c2cccc(Cl)c2)cs1 1860818679 AZVUOQJVVBEKOI-UHFFFAOYSA-N 294.832 4.859 30 10 CJEE CC#CCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 1879652436 AJTINMICCPMHBD-CYBMUJFWSA-N 298.257 4.708 30 10 CJEE CCCCCCCCN(C)CCC(F)(F)C(F)(F)F 1883319025 FIEQRBUCVNUBFD-UHFFFAOYSA-N 289.332 4.866 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H]1C=CCCCCC1 1883386929 VMWJJUUGHFVQSC-LJQANCHMSA-N 269.432 4.954 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1Cl 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CCCCCCCC[C@](C)(O)[C@@H]1[C@H]2CCCC[C@H]21 2223832397 RBXAIPGKDFOIAD-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCC1(F)F 2223847159 BEFVPYQPCRTFIS-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCCCOc1cccc(F)c1[C@@H](C)O 2224208154 JJIIPOKICWUXAA-CYBMUJFWSA-N 268.372 4.618 30 10 CJEE CC(C)(C)OC1CC(CC[C@]2(C#N)CCC2(C)C)C1 2224729805 JRKKXTAKRGLACE-MQBCKMQZSA-N 263.425 4.690 30 10 CJEE C=C[C@H](C)C[C@H](C/C=C/c1ccccc1)NCCC 2226210394 KGGRUMVDBWXNDT-RHSNYOTESA-N 257.421 4.670 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCC[C@H](C)O1 2226878366 BHRQYVRSBDXWGS-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1ccccc1F 2227272453 NYUGNOPVTLVURY-MRXNPFEDSA-N 264.384 4.646 30 10 CJEE C=CCCCCCCCOc1ccc([C@@H](C)N)cc1 2227281956 IPAPQWGSKWVBTI-OAHLLOKOSA-N 261.409 4.612 30 10 CJEE C#CC(C)(C)C[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227502578 WSTZFKWVWGPCOA-CYBMUJFWSA-N 298.257 4.564 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227502661 XWLKAZQRRQQCRO-CMPLNLGQSA-N 298.213 4.852 30 10 CJEE C=CCC(C)(C)Oc1c(CNCCC)sc(C)c1C 2229217517 OSYGOFKULHWBET-UHFFFAOYSA-N 281.465 4.598 30 10 CJEE CCCCCCCCCO[C@H]1CCC(C)(C)[C@@H]1NC 2230993675 GWUDBBGJPOTZKB-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)[C@@H](C)CNC(C)(C)C 2231014070 KAGCTXMRDYTQIT-ARFHVFGLSA-N 269.473 4.551 30 10 CJEE CCCCCCCCCCCO[C@H]1CCC(=O)[C@@H]1C 2231017492 FGDGPBIUHPJXHS-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCO[C@@H](C)CNCCC(C)C 2231018870 WVVFIYGWYGSLMV-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCO[C@H](C)CCNC(C)C 2231025999 GTHWZWYCQIYYLY-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCO[C@H](C)[C@H](C)CNCC 2231028004 OKXFKZZQNJGFHS-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@@]1(C)N[C@@H](C2CCCC2)CO1 2231855610 LFTWAOLDZHOQIU-SJORKVTESA-N 267.457 4.632 30 10 CJEE C=C1CCC(C[C@H](O)[C@H](C)c2ccc(C)cc2)CC1 2232079745 PNAPZPOLORNCJS-QAPCUYQASA-N 258.405 4.596 30 10 CJEE C=CCCCCO[C@H]1CCCCC(C)(C)[C@@H]1NCCC 2234049658 YAXSNZAHNDYARF-DLBZAZTESA-N 281.484 4.696 30 10 CJEE 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299.817 4.630 30 10 CJEE CC(C)CC1([C@@H](O)C#Cc2ccc(Cl)cc2)CCCC1 2239546803 BBLDTLYTQJQBNJ-KRWDZBQOSA-N 290.834 4.659 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CCC1CCC1 2239561884 KPHBDCRNNIHCHK-GOSISDBHSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@@H](C)C1CCC1 2240639717 IJAKDXDHTXUEIR-NXHRZFHOSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC1(C)CCCC1 2240640402 PTHWKQQDTJQPIJ-FUHWJXTLSA-N 283.500 4.786 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc(Cl)sc1Cl 2251426591 KDMISTSTKLXBIV-LLVKDONJSA-N 289.227 4.672 30 10 CJEE CCCCC#CC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2258559810 UIOKXPQGFGXDBG-OAHLLOKOSA-N 284.230 4.885 30 10 CJEE C=CCCCCCCCSCc1[nH]c(=N)sc1C 2259051386 LUMGYWJWACEQDQ-UHFFFAOYSA-N 284.494 4.624 30 10 CJEE C=C(C)CCCC[C@H]1CCC(C)(C)[C@H](NCC)C1 2259235767 SZPAELPTASKETM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=C([C@H](NC)C1CC(CC(C)(C)C)C1)C(C)(C)C 2261204026 CFBYYUISUPNIAE-NRXISQOPSA-N 251.458 4.639 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2263303162 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C=CCC(CC=C)Sc1ccc([C@H](C)NC)c(C)c1 2335244651 HVCPYHCESKXFGS-AWEZNQCLSA-N 275.461 4.888 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2337096332 DEYRKFHEFXAYQU-QMTHXVAHSA-N 278.758 4.507 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1cc2ccccc2s1 2338726635 CNGRMQDWEXDJSP-KRWDZBQOSA-N 271.429 4.844 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C1(C)CCC(C)(C)CC1 2338729008 BKDAMJCWHNGNBH-MRXNPFEDSA-N 263.469 4.949 30 10 CJEE C=CC[C@](C)(NC[C@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343363196 MWMAURFNKLYPKG-BZPMIXESSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2344335694 BRCACTPGMVQBKD-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]1C1CCC1)NCCC 2344358927 WSKFYFKAJAWFJH-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(C(C)(F)F)n1 2344386684 YCGRJDLQWNWMTM-CMPLNLGQSA-N 288.407 4.508 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC(C)(C)C[C@H]1C 2352215195 QWLPKUPUMVEWMJ-MLGOLLRUSA-N 282.449 4.520 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)c1csc(C)c1 2352216029 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C=CCSc1ccccc1NCc1cc(C)n(C)c1C 52790309 WDQNFZIXZCVNBG-UHFFFAOYSA-N 286.444 4.532 30 10 CJEE CCCCCCCCCCNc1ccccc1C(=O)O 59022917 LSXHNFHYNPWCHR-UHFFFAOYSA-N 277.408 4.937 30 10 CJEE CCCOc1cccc(-c2cc(CC#N)c(CC)s2)c1 77097036 MZCAKHUIHAYRIU-UHFFFAOYSA-N 285.412 4.832 30 10 CJEE CC1CCC(C#N)(C[C@H]2Cc3ccccc3S2)CC1 92273556 LYWPXEZDEUGUAV-GNHJJJEISA-N 271.429 4.814 30 10 CJEE C=CCCC[C@H](CCCc1ccccc1)NCCC 97219480 CYESGWYYJLQCLQ-GOSISDBHSA-N 259.437 4.734 30 10 CJEE CCCCCCCNC[C@@H](CC)Oc1ccc(C)cc1 100027265 GAVRSSUEUBWOJS-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCCCCCCCCCN(C)c1ccc(N)cc1 104184626 WMNWRKWXRCIWBK-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCNc1nc2ccc(C)cc2s1 106351581 POLCDOLIFSVTKA-UHFFFAOYSA-N 262.422 4.987 30 10 CJEE CCCCN(c1cc(Cl)ccc1C#N)[C@H](C)CC 110256530 OWDVMCAXIWYLFQ-GFCCVEGCSA-N 264.800 4.617 30 10 CJEE CCCCCCCCCNc1cccc(COC)c1 110464717 WTHDJNZZLWDLFF-UHFFFAOYSA-N 263.425 4.996 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 113059426 LBNPYNXSDREAGC-OAHLLOKOSA-N 288.353 4.969 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cc(Cl)ncc1Cl 114405462 VAVXFJBPONAXGR-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCN1CCN[C@H](C2CCCCC2)C1 115212199 KHIJDZJJKVVALX-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCc1ccc(Nc2cc(C#N)cc(Cl)n2)cc1 122649876 RGXQOFLPNVBXEJ-UHFFFAOYSA-N 285.778 4.693 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1CC(C)=O 123278081 HEELCHZKJUEYBM-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE CCCCCCCCCCNc1snc(C)c1C#N 124912355 ZXCKESKGWKRBLV-UHFFFAOYSA-N 279.453 4.876 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CC(C)(C)OC1(C)C 132936073 USROLVUASQHYMT-JKSUJKDBSA-N 283.500 4.919 30 10 CJEE CCCCCCCOC(=O)c1cc(Cl)ncc1Cl 133079433 COWVLYOGOJWKCV-UHFFFAOYSA-N 290.190 4.516 30 10 CJEE CCCCCCC[C@H](O)[C@H](C)Oc1cccc(Cl)c1 135356748 TTXVNMDIVVLWIP-BBRMVZONSA-N 284.827 4.829 30 10 CJEE CCSc1cccc(Oc2ccc(NC)cc2)c1C#N 137071465 KUORKXWHDXZDBI-UHFFFAOYSA-N 284.384 4.504 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)c(F)c2)C1 149825676 WUCVYEKXRCTIRW-WBMJQRKESA-N 263.331 4.617 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(C)[C@H](C)C1 158191453 UBRAFPDDMZZQAZ-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(OC)cccc1OC 159002896 HNDXJXYQOLURFW-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCCCCCCCNCc1cc(C)nc2ccccc12 159138370 PNMQAUXTYNPPPY-UHFFFAOYSA-N 284.447 4.993 30 10 CJEE CCCCCCCOCc1cnc(Cl)cc1Cl 159816345 KXCANLXGYUIWOP-UHFFFAOYSA-N 276.207 4.875 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1oc2ccccc2c1CC 162641381 VDRLTQINKKNOFK-OLZOCXBDSA-N 257.377 4.610 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H](OCC)C1CCCCC1 164783181 PPLSABYYJRCWRV-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)c2cc(F)ccc2O1 164846848 QJALPVNVPCGPKJ-KRWDZBQOSA-N 278.367 4.910 30 10 CJEE CCCCCCC[C@H](NC)c1cncc2ccccc12 165157835 OUTPMNNOINIGTC-SFHVURJKSA-N 270.420 4.856 30 10 CJEE Cc1cccc(F)c1Nc1ccc(C(F)(F)F)cc1C#N 225034547 ABXRKHSRCKBOKE-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE N#Cc1cc(Br)ccc1SC1CCCCC1 229239054 UTBUIROWFAZAEU-UHFFFAOYSA-N 296.233 4.746 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@H](C(C)C)C1 231004008 QBENNWFULNWUHE-RDJZCZTQSA-N 256.393 4.516 30 10 CJEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(Cl)c2)c1 232245044 SMVGHWYCKUUNGC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCCNc1cccc(CO)c1 232924662 JZLHNADPXVYXOX-UHFFFAOYSA-N 263.425 4.732 30 10 CJEE CCCCCCCOC(=O)c1cc(S)ccc1Cl 232928160 LVSFVIKNBWBORM-UHFFFAOYSA-N 286.824 4.756 30 10 CJEE C=CCCCCC[C@H](NCCC)c1snnc1C(C)C 233124965 PMPKJUXIDVTWCP-AWEZNQCLSA-N 295.496 4.839 30 10 CJEE C=CCCCCC[C@@H](O)CSc1ccc(Cl)cc1 236547949 WXDGOPNZAHNLLI-CQSZACIVSA-N 284.852 4.930 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@H](C)[C@H]1C 250821624 LMSJXHILTBDWAP-QRVBRYPASA-N 296.543 4.836 30 10 CJEE C[C@H](CCS)CCN(C)[C@H](C)c1ccccc1Cl 251186646 IHKCKTJIKNYFMR-QWHCGFSZSA-N 285.884 4.679 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 308053710 KBOMAMPBLRXAJF-DZGCQCFKSA-N 291.822 4.979 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](c2ccccc2)C(C)C)c1 308122335 NWAKOJZTYFVWPQ-GOSISDBHSA-N 264.372 4.676 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCC[C@@H](C(C)C)CC2)c1 308156648 RDFDUHHFVBCOOX-IAGOWNOFSA-N 270.420 4.884 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccc3ccccc3n2)C1 312518544 BGPSLFYUEZXMTI-KBXCAEBGSA-N 264.372 4.596 30 10 CJEE CCCCCCC[C@H](CCC1CCOCC1)NCCC 313496513 IKVTVLOUTAAROH-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC3(CCCCC3)O2)C1 317317046 VQEULWULASBCKC-IXDOHACOSA-N 278.436 4.654 30 10 CJEE CC#CCCC1(CNC(C)(C)C)CCC(CC)CC1 318657996 IUYIVZVVUBLCTD-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCN[C@H](CC)c1cccs1 380102667 JCQYBCAPQFYYLN-CQSZACIVSA-N 251.439 4.925 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)s1 384818145 DPRYCKNUIYQMEV-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(F)cc1C 386392252 GGMDOLICZPRJAD-MRXNPFEDSA-N 252.373 4.836 30 10 CJEE CC[C@H](OC[C@H](CS)C(C)(C)C)c1ccccc1 403311669 XPWWWWPWVUKFRS-CABCVRRESA-N 266.450 4.746 30 10 CJEE C#CCCCCCCC[C@@H](NCCC)C(C)(C)C 686691565 MOEIKENQDVSINA-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE CCCC1(CCC)CN(c2ccc(Cl)c(C#N)c2)C1 690220644 QZTOTCJEVBWNTL-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE N#Cc1ccc(Nc2ccc(C3CC3)cc2)c(Cl)c1 690279634 VZNNIHIMQHRLEI-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@H](C)c1ccc(Cl)cc1 695844693 XNJBTJCYDWQJHW-CHWSQXEVSA-N 278.827 4.661 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccc2ccccc2n1 695885903 WTKSNBIDGXNSLA-LBPRGKRZSA-N 270.401 4.655 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CC12CC2 698106814 ARRCPRJKYDARRZ-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C=CC(C)(C)CCNCc1ccc(F)cc1C(F)(F)F 701919871 NBVVTWBLZWIUIT-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE C#C[C@@H](NCc1cc(-c2ccccc2)cs1)C(C)(C)C 702259700 WQKBNQAAFIDBHH-QGZVFWFLSA-N 283.440 4.553 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CC(C)(C)OC1(C)C 709678332 JXEIITQAYTWYQS-CABCVRRESA-N 270.457 4.692 30 10 CJEE CC1CCC2(CC1)CS/C(=N/[C@@H](C)CC1CCCC1)N2 712595397 CQJVPULPOPIJIA-UUCFBXCCSA-N 294.508 4.597 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714396325 HQWANZCHFRXHRW-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)ccc1Cl 715719016 JRWNREFXIVZWET-YGRLFVJLSA-N 272.219 4.856 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc2ccsc12 715720148 LOCCDMJCYMYBFQ-WFASDCNBSA-N 259.418 4.764 30 10 CJEE C=CCCC(C)(C)Nc1cc(C)c2ccccc2n1 717654329 WASNVDQWIJEBGF-UHFFFAOYSA-N 254.377 4.700 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@@H](OC)CC1 718755385 UOULOAWHTACPQD-LSDHHAIUSA-N 291.460 4.724 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)[C@H]1CCCO1 720211244 ZCSSNTMHBJKULD-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NC)c2csc(C(C)C)n2)CC1 724594455 BWLJEOKFTJPAEQ-AWEZNQCLSA-N 278.465 4.664 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc2ccccc2o1 821996170 FQQVEIIFYSHJPB-WMLDXEAASA-N 269.388 4.657 30 10 CJEE C=C(C)CCC(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 1128843462 ZJEDMGOOTZQHDR-KRWDZBQOSA-N 287.447 4.897 30 10 CJEE C=CCCC1(CNC(=O)CC2=CCCCC2)CCCC1 1130910097 USIGHOKRXMQAEU-UHFFFAOYSA-N 275.436 4.520 30 10 CJEE Cc1ccc(CSC2CCC(F)(F)CC2)cc1C#N 1166917307 BLUOZLQSLWPHCS-UHFFFAOYSA-N 281.371 4.678 30 10 CJEE C=CCCCC[C@@H](C)NC1CC(C)(c2ccccc2)C1 1181314003 AUFUMWLJULNJLJ-IPJUCJBFSA-N 271.448 4.831 30 10 CJEE CCCCCCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1266263650 QAQZKCMNWHTMGO-HZPDHXFCSA-N 279.468 4.702 30 10 CJEE C=CCCCCCCNC(=O)c1cccc(C(C)C)c1 1271935109 IAQCKDQWUFVYOY-UHFFFAOYSA-N 273.420 4.676 30 10 CJEE C=CCC1(C(=O)NCC2CC(C)(C)CC(C)(C)C2)CCC1 1278656255 LBRGRYPJAMBEMQ-UHFFFAOYSA-N 291.479 4.702 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3nc(C)cc(C)c3c2)CC1 1288837783 PQAMFWKOBDXZEU-UHFFFAOYSA-N 294.398 4.537 30 10 CJEE C#Cc1ccc(CNC[C@H]2CCCC[C@H]2C(C)(C)C)cc1 1308237256 MJZVMKOIPSJFRN-RTBURBONSA-N 283.459 4.610 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccccc2)[C@@H](C)CC)CC1 1348511102 RHQQDXOMNCCDOX-INIZCTEOSA-N 285.431 4.560 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1 1355260058 NRCDAZJJYPKMSK-GOSISDBHSA-N 279.383 4.547 30 10 CJEE C#CCCCCCCNC(C)(C)CCc1ccccc1 1459438219 NDGGROHIGICCML-UHFFFAOYSA-N 271.448 4.571 30 10 CJEE C=C1CCC(CNCc2cscc2C(F)(F)F)CC1 1461742682 VIYMSUVQWUTMNN-UHFFFAOYSA-N 289.366 4.603 30 10 CJEE 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288.193 4.587 30 10 CJEE CCCCN(C[C@](C)(CS)C(C)(C)C)[C@@H](C)CC 2327103423 ODFDWEGNFDSLIT-GOEBONIOSA-N 273.530 4.869 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)C2(C=O)CC=CC2)c1Cl 2327979976 ZRMBPOOIGVMKHJ-LLVKDONJSA-N 283.198 4.941 30 10 CJEE C=CCCCCCCCCCS[C@H]1C[C@H](C(=O)O)C1 2337174830 JGGXBIAHTHFIPQ-SHTZXODSSA-N 284.465 4.890 30 10 CJEE CCCCCC1CCC(C(=O)C#CC2CCC2)CC1 2337509567 PXQQKRJCWZYYTA-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CN(c1ccc(Cl)cc1)c1cc(Cl)c(C#N)cc1F 2339243833 ODXMJSSNUXNCLB-UHFFFAOYSA-N 295.144 4.772 30 10 CJEE C=CCCCC[C@H](NC)c1cccc(C2CCC2)c1 2343778188 USXDIEFPVYMRIV-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(F)(F)C(F)F)NCCC 2344337169 OOSZDXRWNTZFFD-YPMHNXCESA-N 283.353 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCC[C@@H]1CC2)NCC 2344337975 VWVMIYGNVIRYRO-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](NC)C1=CC[C@@H](C(C)(C)C)CC1 2344382535 GNDQZKZHGQBRFX-HZPDHXFCSA-N 263.469 4.949 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1cccc(Cl)c1F)C2 2345006995 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57688392 FPGNCZFWHYZETM-INIZCTEOSA-N 283.346 4.601 30 10 CJEE CCCCCCCCCSc1ccc(N)cn1 59192833 PQQRVQLAWQSZID-UHFFFAOYSA-N 252.427 4.507 30 10 CJEE CCCCCCCN[C@@H]1CCCC[C@H]1C(F)(F)F 59462164 TYJZGVCOBPAUER-CHWSQXEVSA-N 265.363 4.668 30 10 CJEE CC[C@H](CC1CC1)Nc1ccc(C#N)c(C(F)(F)F)c1 70104481 ZNEALVFBPZHVMV-GFCCVEGCSA-N 282.309 4.568 30 10 CJEE C=CCCOc1c([C@H](C)NCCC)ccc2ccccc12 71274418 YNLQPFLMHKFCKD-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE C=CC[C@H](N)c1nc(-c2ccc(C(C)C)cc2)cs1 83535960 VSPGUGUGDOKGIS-AWEZNQCLSA-N 272.417 4.509 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccccc2C#N)CC1 86922562 BUADUVFOSKOWTJ-ZBFHGGJFSA-N 256.393 4.575 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)CC1 86923096 BKSLFJWXUKZQJD-CVEARBPZSA-N 286.419 4.606 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 88515115 FLCAXECEDUETHN-FZMZJTMJSA-N 296.336 4.958 30 10 CJEE CCCCCCC[C@H](C)NCC(C1CC1)C1CC1 91328422 NHSZACPXXMBXFQ-AWEZNQCLSA-N 251.458 4.761 30 10 CJEE CCCc1c(-c2ccc(C)c(Cl)c2)sc(C#N)c1N 93074574 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30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnsn1 139481567 QKROVEPGORMNEX-CQSZACIVSA-N 283.485 4.720 30 10 CJEE C[C@@]12CC3CC(CC(=O)C4=CCCCO4)(C1)C[C@](C)(C3)C2 160219170 HBLVYCHAGDBRTM-KOCGSPDRSA-N 288.431 4.637 30 10 CJEE CCCCCCC[C@@H](NC)C1(OC)CCC(C)(C)CC1 166796926 BXWWDEYAGSUQQH-MRXNPFEDSA-N 283.500 4.920 30 10 CJEE CC#CCC[C@@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 168227985 PUXCKFZBNGUGAM-OSVATCMCSA-N 287.491 4.765 30 10 CJEE Cc1ncccc1/C=C/C(=O)c1cc2ccccc2s1 187233480 HEFAGXGXLOBBIK-CMDGGOBGSA-N 279.364 4.501 30 10 CJEE C=C(C)C[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229736366 JPCSCHOVIDEQIO-NNCLKIPCSA-N 261.453 4.667 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H]3CCCC[C@@H]32)C1 250703416 OTRHCERIYFKNKE-OBVSXPTNSA-N 288.479 4.605 30 10 CJEE CC[C@H](C)CN(CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 251952918 URYWTVVJSRDEMN-MWDXBVQZSA-N 278.484 4.709 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C[C@H](C)O 253100623 WNXSGOLNBPRZGP-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCCC(=NO)c1ccc(O)cc1O 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CCCCCCCCCNC[C@H]1CCC2(CCC2)CO1 716532247 INFRQBZQILTCEN-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1NC[C@@H](C#N)C1CCCCC1 717505415 XFPBKELIYFCDQK-OIISXLGYSA-N 276.468 4.511 30 10 CJEE CCCCCCCCCNCc1cnc(Cl)s1 718814517 JCZQGLYVGUDHNW-UHFFFAOYSA-N 274.861 4.637 30 10 CJEE Cc1cc(C)c([C@@H](O)C2(C#N)CCC(C)(C)CC2)s1 719474901 WECRKSQIIFNOFQ-CQSZACIVSA-N 277.433 4.509 30 10 CJEE C=CCCC[C@H](NCCC)C1CCC(SC)CC1 720411513 SPFPDKZMVYZXFN-GPANFISMSA-N 269.498 4.633 30 10 CJEE C=C1CCC(CN[C@H](CCC)c2cccs2)CC1 724541705 BUVZBADELPRUKJ-OAHLLOKOSA-N 263.450 4.925 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cccs2)CC1 724549481 NHNQMAFVCXFYOM-OAHLLOKOSA-N 263.450 4.925 30 10 CJEE C=C1CCC(COc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 724570225 PLTXEGSPUYCOJK-UHFFFAOYSA-N 299.729 4.513 30 10 CJEE C=CC[C@@H](C(=O)N(CC)CC(CC)CC)c1ccccc1 1125081573 XZPPSLJAKYQNHT-GOSISDBHSA-N 287.447 4.631 30 10 CJEE N#Cc1csc(CN[C@H]2CCCC3(CCCCC3)C2)c1 1173346014 XWCSGYAIVRENEP-HNNXBMFYSA-N 288.460 4.602 30 10 CJEE 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257.421 4.993 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)c1 1628034216 STZLJCHEYDUEBB-QGZVFWFLSA-N 298.430 4.762 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(Cl)nc(Cl)c1 1643803828 YBQPRVMIBXRDFP-QWHCGFSZSA-N 299.245 4.613 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)C1 1645067270 VHYIKZVDKYUSKI-QZTJIDSGSA-N 299.458 4.693 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H]1CCC(C)C 1645312157 SXGSUEVYQTYESK-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C=CCCCN(CC)CCC1C[C@@H](C)C[C@H](C)C1 1648544489 QNBQZHAOXNEJQL-HOTGVXAUSA-N 251.458 4.737 30 10 CJEE C=CCCCCC[C@@H](C)NCC[C@@]1(C)CC1(F)F 1652841849 ZFEOSABFJRBITF-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C(CC)CN[C@@H](COc1ccccc1F)c1ccccc1 1653055335 FWCCKSMLDYBKPU-SFHVURJKSA-N 299.389 4.502 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@H]1Cc1ccccc1 1659808631 PXVLDVOZBVOCSG-OALUTQOASA-N 285.475 4.980 30 10 CJEE C=CCCCCC[C@@H](C)NCc1csc(C)c1C 1659813009 GCJPBFWMAQQGLG-CYBMUJFWSA-N 265.466 4.980 30 10 CJEE C#CCCCNC/C(=C\c1ccccc1)CCCCC 1662386335 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CCC[C@H](C)[C@H](C#N)Sc1cccc(Cl)c1 233341519 WTCOWQQBQNSRMC-GWCFXTLKSA-N 253.798 4.760 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCc2ccccc2C1 234430712 DJYOGSRTDMUOFL-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(Cl)cc1F 236134507 UJKHGEXPYVNFAJ-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE C=CCCCCCNc1ccc(Br)cc1F 236147563 PGLAXXRYDWVUSR-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 252908241 XVSFCEMCURGZAZ-FPSMNIFISA-N 284.484 4.938 30 10 CJEE Cc1cc2ccc(CC(C)(C)C#N)cc2n1C(C)C 260525551 XDYKNWVXVHKVGG-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300636580 SDPGZUCIEYADLS-UXJCHEOYSA-N 264.453 4.780 30 10 CJEE Cc1cc(Br)cc(C)c1NCC#CC(C)(C)C 305894524 AKWUOFXSIQUXON-UHFFFAOYSA-N 294.236 4.527 30 10 CJEE C#C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)C(C)C 312153087 BJCVOAWUYVKPDV-OALUTQOASA-N 269.432 4.555 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@H](C(F)(F)F)C1 312279774 NWEPIVVYQUEDFC-KBPBESRZSA-N 296.373 4.600 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccccc2C(F)(F)F)C1 316757853 IRGJLLSRAQHUHK-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)([C@H]2CCOC3(CCCC3)C2)C1 317386006 XTCMPTFPPAWBEE-IXDOHACOSA-N 278.436 4.511 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CC[C@@H](CC)C1 318287233 JDXCCHWCCMQHEV-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H](C)c1ccc(C)s1 387287816 PFENQIWOZFMZCG-HZPDHXFCSA-N 296.524 4.737 30 10 CJEE C[C@H](/N=C1/N[C@H](C(C)(C)C)CS1)c1cccc(Cl)c1 394008746 VNEUNRUUNWKZHI-GWCFXTLKSA-N 296.867 4.508 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H]1CC2CCC1CC2 394518986 SNZXVLGSRAVJDO-BACDZXNISA-N 252.442 4.924 30 10 CJEE CCCC1CCC(C#N)([C@](O)(CC)[C@@H]2CC2(C)C)CC1 397586887 ATIINNYFFUXBCN-NRLXWARBSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@H](C)NCc1cc(F)cc(C(F)(F)F)c1 398091997 YIPHBKXWSNAHFM-NSHDSACASA-N 289.316 4.679 30 10 CJEE CC[C@@H](CC(F)(F)F)CC1(C=O)CCCCCC1 402458722 WKNFBLYPBYRZIO-GFCCVEGCSA-N 264.331 4.895 30 10 CJEE CCCC(CS)(CCC)CN(C)CCCC(F)(F)F 402565141 LPSQBBXEELDJBT-UHFFFAOYSA-N 299.446 4.777 30 10 CJEE CCCCCCCCCC(=O)CN(C)C(=O)OC(C)(C)C 405424731 GEEZHGBAUOVMMD-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CC1CCCCC1 464649664 NTNZCYYPRBTFBT-DOTOQJQBSA-N 277.452 4.550 30 10 CJEE C=C(C)CCc1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 508602384 CZRZXRXCGUZSJV-KGLIPLIRSA-N 288.778 4.503 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCCC 686693442 SMKRHXNISBOAJW-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(COC)cs1 689986672 LOGBRXPDXLQWLA-OAHLLOKOSA-N 283.481 4.906 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(F)c(Cl)c1 692204140 KRXGWXBOAURRDX-CZUORRHYSA-N 281.802 4.704 30 10 CJEE C=C1C[C@H]2CC(Nc3c(C)ccnc3Cl)C[C@@H](C1)C2 697308251 HFQSQIZYORQJBX-PBWFPOADSA-N 276.811 4.590 30 10 CJEE C=C1C[C@H]2CC(NCCCCCCSC)C[C@@H](C1)C2 697309393 OZNCTSUPPAXVFF-SJPCQFCGSA-N 281.509 4.634 30 10 CJEE C=CC(C)(C)CCN[C@H](CC(F)(F)F)c1ccccc1 701921397 WUCRYLSOGZVNMX-CQSZACIVSA-N 285.353 4.872 30 10 CJEE CCCCCCCN[C@H](C)CCc1ccc(OC)cc1 703724402 VUYGWBPFZPFVSA-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CN(CCCCCCCCCS)C[C@H]1C[C@@H]2C[C@@H]2C1 704392686 QNDFEBOYYDIPDQ-BJWYYQGGSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCC[C@](C)(N)c1ccccn1 707607635 WZXRCTAGAVSVJI-KRWDZBQOSA-N 262.441 4.786 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)[C@@H](C)CC(C)(C)C)cc1C 709114894 ZXBVRMXCROJAIO-GOEBONIOSA-N 271.404 4.552 30 10 CJEE C[C@@H](COc1ccc(C#N)c(Cl)c1)CC(C)(C)C 709236316 PKQAZVHDQDJPIF-LLVKDONJSA-N 265.784 4.663 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cc(C)ccc2o1 715792278 ASRKKQCVLYQOMS-GUYCJALGSA-N 257.377 4.604 30 10 CJEE CC[C@@H]1C[C@@H](C)S/C(=N/CCCC2CCCCC2)N1 716945517 APHVWLLRKCWMKK-UKRRQHHQSA-N 282.497 4.597 30 10 CJEE C=CCCC(C)(C)Nc1ccc(C(F)(F)F)cc1 717641704 GOAGIWSLCRSVND-UHFFFAOYSA-N 257.299 4.862 30 10 CJEE CCCCCCCCCNCc1nc(C)c(C)s1 719529088 BBOKUIUEIJMSST-UHFFFAOYSA-N 268.470 4.600 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)[C@@H]1CCCO1 720150127 CXMVUZXNASZINB-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccc(C)cn2)CC1 724583735 XIJRTWZNKRGOQU-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C=C1CCC(CC(=O)c2ccccc2Br)CC1 724589445 GLHAFDVENCNNSZ-UHFFFAOYSA-N 293.204 4.768 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(Cl)cc2)CC1 724597994 FIZQNWYPGGSDFL-OAHLLOKOSA-N 250.769 4.510 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(C)c2ccccc12 1126398587 TULOOIRJDBAGDX-UHFFFAOYSA-N 295.426 4.967 30 10 CJEE C=CCC[C@H](C)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1182370143 SNEPIZICMNAWTF-QRTARXTBSA-N 277.839 4.920 30 10 CJEE C=CCN(Cc1cccs1)Cc1csc(C)c1C 1205161385 DVSOIHGCOSBGTR-UHFFFAOYSA-N 277.458 4.615 30 10 CJEE C=CCN(C/C=C\c1ccc(F)cc1)Cc1cccs1 1205162559 PMAREGOLNADPKY-HYXAFXHYSA-N 287.403 4.589 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 1206597144 CVUJODXNFYFKEM-OGWOLHLISA-N 285.431 4.603 30 10 CJEE C=CCCCCCCCCN1CCC[C@H](C#N)CC1 1209446338 XDWFRCCAFDSBOE-KRWDZBQOSA-N 262.441 4.529 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 1264100377 OBFDXKVDEHXDPL-CQSZACIVSA-N 299.801 4.947 30 10 CJEE C=CCOc1cccc(CN[C@H](C)[C@@H](C)c2ccccc2)c1 1308295564 RZQYXVVWNGJZNL-IAGOWNOFSA-N 295.426 4.533 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H](C)c1ccccc1 1308668477 FYJKBOGVZKXCCW-SJORKVTESA-N 259.437 4.905 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)CCCC1 1308857176 JDTDRUXTVNVBJB-YESZJQIVSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCNC(=O)NCC1(C)CCC(C)CC1 1312639793 OTDFIJMZLBVSGX-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=CCOc1cccc(NC(=O)C2(CC)CCCCC2)c1 1355562656 BTBQSJVOZWRDKH-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C(C)CN(CC)C(=O)[C@H](c1cccc(Cl)c1)C(C)C 1357549551 OAVYUPDKDSDKDQ-INIZCTEOSA-N 293.838 4.504 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C1=C(c2ccccc2)CCCC1 1357586967 MJIIEHJRZYFCOH-MRXNPFEDSA-N 297.442 4.875 30 10 CJEE C=CC1(CC(=O)N(C)[C@H](C)CCSCC)CCCCC1 1435279414 FSWMPXUBDUXXAE-OAHLLOKOSA-N 297.508 4.503 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1oc2c(C)cccc2c1C 1439847099 OYVUJDYJKHTGPP-OAHLLOKOSA-N 297.398 4.620 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)cc(F)c1C#N 1458485854 XSAYYYOZNKCWQK-BBRMVZONSA-N 272.367 4.553 30 10 CJEE C=CCCC[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccccc1 1461716904 CNBKSTKREZRBTA-FHWLQOOXSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H]1N(C(=O)NCCC(C)(C)CC)CCCC1(C)C 1471035836 YGWKKPXFIBXTBI-HNNXBMFYSA-N 294.483 4.589 30 10 CJEE C=CC[C@H]1CCCN(CCCSCc2ccccc2)C1 1473627185 FZAKARRFFBWEHH-KRWDZBQOSA-N 289.488 4.598 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(SC)c1 1476826701 DBUVWUWMNMDDEW-CYBMUJFWSA-N 292.448 4.583 30 10 CJEE C=CCC(C)(C)C(=O)NCc1c(CC)ccc2ccccc12 1534427775 UCJZPYRAOUNHIK-UHFFFAOYSA-N 295.426 4.621 30 10 CJEE C=CC(C)(C)C(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 1537625527 FDDIJUVXFGMENG-OAHLLOKOSA-N 294.394 4.956 30 10 CJEE C=CCCCCCCNC(=O)C[C@H](C)CC(C)(C)C 1539608662 FMZUOKLAXNMGBJ-HNNXBMFYSA-N 267.457 4.702 30 10 CJEE CC#CCN(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 1559575619 IEDXUXBPVVTOAN-RTBURBONSA-N 273.464 4.613 30 10 CJEE C=CCCCCCNC1(c2ccc(F)cc2)CCCC1 1559633794 BRJZIZZBNJBWLT-UHFFFAOYSA-N 275.411 4.931 30 10 CJEE C=C(C)CCN1CCC[C@@]1(CC)CCc1ccccc1 1560107144 XWFFHINTRHJAEP-IBGZPJMESA-N 271.448 4.830 30 10 CJEE Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1F 1614730904 KVXASHAPAVCKQD-UHFFFAOYSA-N 266.359 4.831 30 10 CJEE Fc1ccc(C#Cc2cc(Cl)ccc2Cl)cc1F 1614827306 UKBLQHLFSXXUFD-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCN(CC1CCCCC1)[C@H]1CCc2c(F)cccc21 1615504787 HHXQRWKVGIHTTA-IBGZPJMESA-N 287.422 4.881 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(CC(F)(F)F)cc2)C1 1621430488 IYNZQPKFFBECPC-HNNXBMFYSA-N 297.364 4.580 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCCC[C@H]1C 1645493119 FYJXXGHNXSAHAF-IEBWSBKVSA-N 271.448 4.891 30 10 CJEE CCCCCCCCNCc1cccc2ccoc12 1648722473 HLDKZMFJUJHPCP-UHFFFAOYSA-N 259.393 4.883 30 10 CJEE C=CC[C@H](C)Sc1nnc(CCC2CCCCC2)o1 1651804942 UXYOCNPNNDDGCM-LBPRGKRZSA-N 280.437 4.639 30 10 CJEE C=CC(C)(C)CCCNc1ncnc2c1oc1ccccc12 1652197910 JYRAWDQTDVZFLK-UHFFFAOYSA-N 295.386 4.780 30 10 CJEE C=CCC[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1 1653071104 BIGDLHQDFRMDBE-NRFANRHFSA-N 291.438 4.972 30 10 CJEE C=CCCCCN(CCC)[C@@H](C)c1ccccc1OC 1653228681 OAYJIPABBFXFRC-INIZCTEOSA-N 275.436 4.825 30 10 CJEE C#CCCOc1ccc(CNc2ccc(Cl)cc2C)cc1 1657692248 IFCSLVBDLZJFNG-UHFFFAOYSA-N 299.801 4.663 30 10 CJEE CCCCCCC[C@H](C)NCC1(C(F)(F)F)CC1 1658064302 FATQKMIZWISERA-LBPRGKRZSA-N 265.363 4.668 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(CN(C)C)c(C)c1 1658319505 SLVUFSDYWYRPPN-MRXNPFEDSA-N 274.452 4.603 30 10 CJEE C#CCCCCCCNCC1(c2ccc(C)cc2C)CC1 1659307687 IVQKOUUORDZOFX-UHFFFAOYSA-N 283.459 4.508 30 10 CJEE C#Cc1ccc(N[C@H]2CC[C@@](C)(c3ccccc3)C2)cc1 1660182589 BWBVGURKKZYMIN-VQTJNVASSA-N 275.395 4.590 30 10 CJEE C=CCC[C@H](CC)Nc1cnn(-c2cc(C)ccc2C)c1C 1664022434 NDIPNNHNRSJILN-KRWDZBQOSA-N 297.446 4.954 30 10 CJEE C=CCCc1ccccc1NCc1ccc(O)c(OCC)c1 1664434866 FWTNRNLLTDZLSS-UHFFFAOYSA-N 297.398 4.522 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2CC(c3ccccc3)C2)C1 1875853329 UBXWXTWJWSEPDV-LTDKPHRXSA-N 253.389 4.900 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 1877436420 ZNDBNFSCCFUJOI-UHFFFAOYSA-N 292.684 4.778 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C#N)C[C@H](C)O[C@H]2C)CC1 1878371995 QKBARNCPVVOREU-WOYTXXSLSA-N 263.425 4.690 30 10 CJEE CC#CCCC[C@@H](NCCC)c1ccc(C)cc1C 1879654124 SQSFGHXSBFHYNT-GOSISDBHSA-N 257.421 4.538 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@H]2CC[C@H]1C2 1882663608 GGDCCXQXUBVWOZ-FHWLQOOXSA-N 269.432 4.501 30 10 CJEE CCCCCCCCCN1CC[C@H]2C(F)(F)[C@@]2(C)C1 1883432065 LHTFTMOOOJZNLX-CABCVRRESA-N 273.411 4.714 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@H]1CCCC(C)(C)C1 1887452997 OLTLLHVZVCVPBC-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE C#CC[C@@H](C)CC1(CNC(C)C)CCCCCCC1 1887474761 IMWMFRZEHJDJCX-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C=C(C[C@H](CC1CCCCC1)NC)c1ccccc1 1888688371 GKJTUUDGMBZPKS-GOSISDBHSA-N 257.421 4.648 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CCC(C)(C)C1 1890708357 IJUXCDRVBUSFEO-QGZVFWFLSA-N 257.421 4.501 30 10 CJEE C=CCCCCCN(Cc1ccccc1)C(C)(C)COC 1892479184 ZFJUOCPUNHZJFW-UHFFFAOYSA-N 289.463 4.660 30 10 CJEE Cc1scc(C(=O)C=C2CCCCC2)c1Br 1902843503 DWQIRXNMBJYHFU-UHFFFAOYSA-N 299.233 4.892 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H](C)OCc1ccccc1 1906518395 VGSIQHABWOIGKG-HKUYNNGSSA-N 289.463 4.706 30 10 CJEE CCCCCCCCC(=O)[C@@](O)(CC)C[C@H](C)CC 1919431219 CSIYNTJPIQBNSN-NVXWUHKLSA-N 270.457 4.883 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(-c2ccccc2F)s1 1919643372 DHJGFFYPCVYKIT-ZBEGNZNMSA-N 276.376 4.800 30 10 CJEE CC[C@H](C)C[C@](O)(CC)C1(C#N)CCC(C(C)C)CC1 1921065414 ZIYXXEGMKRJLOB-FCCDEINASA-N 279.468 4.920 30 10 CJEE N#C[C@@]1([C@H]2CCOC3(CCCC3)C2)CCCC12CCC2 1921628234 WHSXNZNJBFYSOU-MAUKXSAKSA-N 273.420 4.590 30 10 CJEE CC12CCC(C[C@]3(C#N)CCCC34CCC4)(CC1)CO2 1921645938 XNBCNTLRTGPMSJ-HTWSVDAQSA-N 273.420 4.590 30 10 CJEE CCCCCCCCCCO[C@@H]1CNCC(C)(C)C1 1922775658 XDYSIHQLEZELQK-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2OCCCC2(C)C)C1 1923772762 MDPGTMSJMSABGJ-INMHGKMJSA-N 263.425 4.692 30 10 CJEE CCCCCCCCC[C@]1(F)CN[C@H]2CCC[C@H]21 1926537050 LRGOMNKGYIASNO-PMPSAXMXSA-N 255.421 4.607 30 10 CJEE CCCCCCCCCC(=O)[C@H](N)CC1CCCC1 1926719387 XBRUJNVAPPSCME-MRXNPFEDSA-N 267.457 4.604 30 10 CJEE CC(C)[C@H](C)N(Cc1ccccc1)C[C@H](CS)C(C)C 1931997919 FLUQZXWAICNRDU-FUHWJXTLSA-N 293.520 4.735 30 10 CJEE C=C(Cl)C[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 1942983387 RWJNXOGZDAMJPU-SNVBAGLBSA-N 284.108 4.501 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@@H]1C(F)(F)F 1950708130 FUXZHXRYHUVWHI-QWRGUYRKSA-N 250.304 4.505 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C#N)CCCCC1 1954939619 PCBVQMOYRDEUKK-UHFFFAOYSA-N 282.431 4.539 30 10 CJEE CCCCCCSc1ccc(C#N)c(Cl)c1 1963641210 IFPLEBHORXPUPQ-UHFFFAOYSA-N 253.798 4.884 30 10 CJEE C=C(C)CC[C@@H](C)NCc1csc(-c2ccccc2)n1 1964041325 AIPFHDKQIXHYNO-CQSZACIVSA-N 286.444 4.645 30 10 CJEE C=C(CN[C@H](C)c1ccccc1SC)c1ccccc1 1968897287 OATYUUZMIKKFKX-OAHLLOKOSA-N 283.440 4.773 30 10 CJEE N#Cc1ccc(N2CCCC3(CCCCC3)C2)cc1Cl 1969584635 GFYLSNDMTPGSPB-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE Cc1cc(C)c([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1C 1975305089 YEIJONHDGDNZQH-HZPDHXFCSA-N 286.224 4.562 30 10 CJEE C=CCCCCCc1cccc(F)c1Br 1975342113 TYDSQXLYNSRRIO-UHFFFAOYSA-N 271.173 4.877 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1cc(C)cs1 1996471977 XRYCPJLDKKRVBW-ZFWWWQNUSA-N 251.439 4.700 30 10 CJEE C=CC1(CNc2ccc(Br)cc2CC)CCC1 2002640341 ZUGRELGFPNTQGD-UHFFFAOYSA-N 294.236 4.780 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1csc(C(F)F)c1 2005347956 VAKYZUGXSRZMDC-KOLCDFICSA-N 259.365 4.549 30 10 CJEE C=C(C(=O)c1c(F)cc(C)cc1Br)C(C)(C)C 2005436333 BBDAOIUKYZYBNT-UHFFFAOYSA-N 299.183 4.682 30 10 CJEE C=CCCCC[C@](O)(CC)c1cccc(Br)c1 2009522927 IUWJRYDPOJBUHQ-OAHLLOKOSA-N 297.236 4.793 30 10 CJEE CCCC[C@](C#N)(CC)C[C@](C)(F)C(F)(F)F 2017038400 PBRJQHKZICOTIN-WDEREUQCSA-N 253.283 4.777 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CC(C)(C)OC(C)C)C1 2027151930 BXUUXXNOVUKHNY-GOEBONIOSA-N 251.414 4.690 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H](CC(C)C)C(C)C)CC1 2028232257 LWUBFCWXPVHYBC-IAGOWNOFSA-N 252.442 4.802 30 10 CJEE CC1(C)CCC[C@@]1(C=O)Cc1cccc(Cl)c1Cl 2032103223 IAGHREBOKNKWQO-HNNXBMFYSA-N 285.214 4.931 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@H]1C(F)(F)F 2041779089 IHKSGEGGTYVIAX-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)c1c(Cl)cccc1Cl 2045989126 LDKWDDACPDYORD-KGLIPLIRSA-N 286.202 4.747 30 10 CJEE C=CC1(C[C@@H](CSC(C)(C)C)NCCC)CCC1 2049034175 YPJWSXHHBJMOKD-AWEZNQCLSA-N 269.498 4.633 30 10 CJEE C=CC1(C[C@H](O)[C@]2(C)CC[C@@H](C)C2(C)C)CCC1 2049036658 YQMWKIJDGSGPDX-YCPHGPKFSA-N 250.426 4.556 30 10 CJEE C=CC1(C[C@@H](NC)c2cccc(C)c2Cl)CCC1 2049038165 QOIUSGXYTDALEV-CQSZACIVSA-N 263.812 4.655 30 10 CJEE N#C[C@H](Sc1ccccc1Cl)[C@H]1CCCC[C@@H]1F 2055235379 NEKDJTONVQLSBK-JKOKRWQUSA-N 283.799 4.853 30 10 CJEE CCC(CC)CCNc1cc(Cl)c(C#N)cc1F 2057258270 MTJGGTGEPQZLQQ-UHFFFAOYSA-N 268.763 4.589 30 10 CJEE C=CCCCCC(=O)c1cccc(C(F)(F)F)c1 2059121258 SWFFKCSFTIPFMJ-UHFFFAOYSA-N 256.267 4.635 30 10 CJEE C=C1CC([C@@H](NCCC)c2csc(C(F)F)c2)C1 2061650239 HCMVEWLROXPTHY-CYBMUJFWSA-N 271.376 4.693 30 10 CJEE CCCC[C@](C)(C=O)CC1CC2(C1)CC(C)(C)C2 2063208439 PACBXYCCFQMUEK-INIZCTEOSA-N 250.426 4.988 30 10 CJEE C=CCCCCCNC[C@]1(C)CCCC(F)(F)C1 2065230860 DYGTUAQVUJUFBX-CQSZACIVSA-N 259.384 4.538 30 10 CJEE CC(C)C(CCOC[C@@H](CS)C1CCC1)C(C)C 2068950384 DFTDAXKACKUILR-HNNXBMFYSA-N 272.498 4.667 30 10 CJEE CC#CCCC[C@H](NCC)c1c(Cl)cccc1Cl 2073672816 RJVZQWPYBXEWCK-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE CCCCCCCN(C)c1cccc(Cl)c1C=O 2075946543 TYYBBFHMQIZJOF-UHFFFAOYSA-N 267.800 4.559 30 10 CJEE C=C([C@@H]1CCCC(C)(C)[C@@H]1NCCC)[Si](C)(C)C 2076401745 NVDYFHNXWJIRNC-LSDHHAIUSA-N 267.533 4.615 30 10 CJEE F[C@H]1CCCC[C@H]1OCC1(CS)CCCCCC1 2076539417 SOUIFLUGECSBIQ-UONOGXRCSA-N 274.445 4.554 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1C[C@H]1C1CCCCC1 2079379040 OMCRQVIWGURDKL-BBWFWOEESA-N 250.426 4.700 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@H]1CC1(F)F 2085846923 KEBVCTIIDMFQQC-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCNCc1ccccc1SC 2085851801 LASJIDDENHFAFK-UHFFFAOYSA-N 263.450 4.635 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)c1cccc(Cl)c1 2085856678 PFHBGJFOUKYBQM-GOSISDBHSA-N 285.840 4.882 30 10 CJEE C=CCCCCCCCCN(CCC#N)C(C)C 2086242093 CCQZZRIAYDACTD-UHFFFAOYSA-N 250.430 4.527 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@H]1CC(C)C 2086261953 QSBLTJHOUPUICD-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCNC[C@@H]1SCC[C@@H]1C 2086282839 NVQAQXUPQCHBHP-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE CCCCCCCCOC1(C(=O)O)CCCCCC1 2087097235 VWQNJDBBJJNOAD-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE CC(C)(C)C#CCC(=O)C1(C(F)(F)F)CCCCC1 2087956828 PKSXIWUVMFAJRF-UHFFFAOYSA-N 274.326 4.508 30 10 CJEE CC(C)(C)c1cccc(OC[C@H](CS)C2CCC2)c1 2089757921 HXFPAMAMOACPQV-CQSZACIVSA-N 278.461 4.709 30 10 CJEE CCCCCCCCC(=O)c1ccnn1C(C)(C)C 2090786630 BSUKWKHAIJQURO-UHFFFAOYSA-N 264.413 4.571 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC(C)(C)CC)NCC 2091773639 VJKZQOWIKGSMLE-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CC2(C#N)C[C@H](C)O[C@@H](C)C2)C1 2092713680 SPBSUPBIMNWHSW-XFIYOXNOSA-N 263.425 4.546 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC[C@H](F)C2)CC1 2095997759 FSOPXILDSVBXCN-IKGGRYGDSA-N 267.432 4.629 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](C)[C@H](C(F)(F)F)CN1 2096962364 IXAPGQKWFGUZTL-BFHYXJOUSA-N 279.390 4.914 30 10 CJEE CCCCCCCO[C@H]1CCCCCCCC[C@H]1N 2097106998 DSZTUBKJIBLWPM-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=CCC[C@@H](C)[C@H](Cc1ccc(Cl)cc1)NCCC 2102112141 QJWPQXTXMADDGC-PBHICJAKSA-N 279.855 4.853 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CO[C@H](C)C1 2103105161 BNQBUHXQWNQQJO-HZPDHXFCSA-N 268.441 4.901 30 10 CJEE Cc1cc(CN(C)c2ccc(C#N)cc2Cl)sc1C 2103225662 JFUDPQNBSZSPEW-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC[C@H](C)O1)NC 2104807423 YFBQANOQMYFXLD-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2107667690 OLNOKHGOSPGHKS-QKDCVEJESA-N 273.411 4.760 30 10 CJEE C=C(CC)C[C@H](C[C@@H](C)c1ccccc1)NCCC 2107946653 UFCMMLBXCQDDCR-SJLPKXTDSA-N 259.437 4.905 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ncc(Cl)s2)CC1 2107956573 AQMQITFJWSIJFE-ZDUSSCGKSA-N 298.883 4.974 30 10 CJEE N#CC1(CC2C[C@@H]3[C@@H](C2)C3(F)F)CCCCCCC1 2108072104 YURCUILDMDZNHE-ZIAGYGMSSA-N 267.363 4.922 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H]1CCOC2(CCCC2)C1 2108207637 RKRXKRCXYKEYGC-JKSUJKDBSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](C)OCC(C)C 2109267829 BWSHZDSKOGEMIW-IRXDYDNUSA-N 271.489 4.906 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2109776436 JRUVBISNQPQLSM-ZQDZILKHSA-N 273.411 4.746 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@H]2C(F)(F)F)CCC12CCC2 2110495558 QTELDCZNMWHYFF-OUCADQQQSA-N 271.326 4.829 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H]2CCCSCC2)CCC1 2111721148 TUBPTBMZRNOOSQ-HOTGVXAUSA-N 281.509 4.634 30 10 CJEE CCCC1CCC(C=O)(C2[C@@H]3CCCCC[C@@H]23)CC1 2111888335 LDZZOYUQCDHVNI-GARNVTTQSA-N 262.437 4.988 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)c1ccc(Cl)cc1 2113448706 CZURWUTZPRKYOY-INIZCTEOSA-N 293.914 4.652 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC 2114581318 SULMBLVWDFXIAD-KURKYZTESA-N 257.421 4.515 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CCC[C@@H]1C(F)(F)F)NCC 2116655946 LXPSMDLBKSVBOW-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE C#CCCCC[C@@H](NC)C1CCC(CCCC)CC1 2116844913 KYSYXZCEWQIGLR-DAWZGUTISA-N 263.469 4.765 30 10 CJEE N#C[C@]1(CC2CC(C(F)(F)F)C2)CCCCC12CC2 2116988698 BYNXZJHOMXDLAZ-ORHYLEIMSA-N 271.326 4.829 30 10 CJEE Cc1cc(F)ccc1C[C@]1(C#N)CCCCC12CC2 2116991026 PDNRDEVRBCGGAE-KRWDZBQOSA-N 257.352 4.541 30 10 CJEE O=C[C@@]1(C2CC(C(F)(F)F)C2)CCCCC12CCC2 2117051527 CBCXZKGGALIWPJ-ORHYLEIMSA-N 274.326 4.505 30 10 CJEE CC1(C)CCC(C)(CNc2ccc(C#N)cc2)CC1 2120081074 FZOSOMGACIXWEM-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE C=CCCCC[C@@H](NCCC)C1CC(C(F)(F)F)C1 2123082119 BVIJNEPPDYDSBV-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CS[C@H](C)[C@H](C)S2)CC1 2125203073 HUPIPMIWKPSJIS-COMQUAJESA-N 298.517 4.564 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 2126088339 UAHYZWPKCRPSFW-YESZJQIVSA-N 269.448 4.794 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@H]1CC12CC(F)(F)C2 2132998044 LNTRQBSWDKCPBJ-UONOGXRCSA-N 273.411 4.890 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCCCCCCCCO)C1 2134073874 BPVPZTOMAXLCAV-SJORKVTESA-N 265.441 4.820 30 10 CJEE CCCCCCC[C@]1(C)NC[C@@]2(CCCC[C@H]2C)O1 2136790852 AKUKYILKDDJDDY-BRWVUGGUSA-N 267.457 4.632 30 10 CJEE CCCCC#CC[C@@H]1C[C@H](CC)C[C@H](NCCC)C1 2138985866 TXPMIMJJZQSGFQ-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@@]1(CNCCC)CCCC(C)(C)C1 2138992366 ANFVGVILQKKTSU-GOSISDBHSA-N 263.469 4.766 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC2C3(CCC3)C23CCC3)C1 2139179171 MHQDLKYWLWGDHX-GDBMZVCRSA-N 260.421 4.742 30 10 CJEE C=CCCCCCC[C@H](O)CCCc1ccccc1 2141918810 JYVLUCQYLVKODX-SFHVURJKSA-N 260.421 4.897 30 10 CJEE C=CCCCCCC[C@H](NCC)c1ccncc1Cl 2141922524 PPHOMNLDWOTURP-INIZCTEOSA-N 280.843 4.912 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@H](C)COC 2142433304 VVTSFYDJVDNGIW-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCCC=C1C[C@H]2CN[C@@H](C1)C2 2142436862 XXEZNOVPBMIYKS-MSOLQXFVSA-N 261.453 4.992 30 10 CJEE C=CCCCCCCCC[C@H](CCOC(C)C)NC 2142452112 DJOXVGJOPGYYLM-QGZVFWFLSA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccccc1CC(C)C 2145611306 APFRBGPYASKXBT-GOSISDBHSA-N 274.452 4.526 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1=CCOCC1 2145647904 AXXDLWALZRCKLM-SFHVURJKSA-N 281.484 4.842 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1cccc2ccsc12 2147830992 BCRISEKXOHABFY-HZPDHXFCSA-N 291.460 4.623 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C#N 2150466591 RPAJHLKRLJXQQT-MGPQQGTHSA-N 286.444 4.661 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2c1COC2 2156082434 XKDQPTVIKMQIGY-SFHVURJKSA-N 276.420 4.891 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)[C@@H]1CC12CCCC2 2156797624 ZMPIISMDNJVUIK-RDJZCZTQSA-N 280.452 4.637 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](O)C12CCC(C)(C)CC2 2157081072 BNVCYWFYOYWGPG-CVEARBPZSA-N 282.468 4.693 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1ccc(-c2ccccc2)cc1 2158324090 NMHDHXJZGGORNF-DNVCBOLYSA-N 265.400 4.956 30 10 CJEE CC[C@@H]1NC(=N[C@H](C)C2CCC(C)(C)CC2)S[C@H]1CC 2158442122 VEBHGQNMPNGGJL-SNPRPXQTSA-N 296.524 4.841 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2158690028 UKLZDDAHNNSOMJ-QTMHVTGLSA-N 275.480 4.927 30 10 CJEE CC(C)(C)[C@H](C#N)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1 2159442305 IZHRQSWKKZFFOC-OAGGEKHMSA-N 278.484 4.757 30 10 CJEE CC[C@H]1CCC[C@@H](CNc2ccc(C)cc2C#N)CC1 2159509451 LEUZYDQSCHQPSG-JKSUJKDBSA-N 270.420 4.885 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)C1CC(C)C1 2161502895 DHVVEEQKYRSIPX-FOIPXRHGSA-N 283.500 4.512 30 10 CJEE C=CCOc1ccc([C@@H](CC(C)(C)CC)NCC)cc1 2164107239 JGOMYJLJBYHMHR-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE C=C([C@@H](NCCC)c1cccc2c1CCC2)[Si](C)(C)C 2164264285 IYGYEPKFPFXWBC-GOSISDBHSA-N 287.523 4.650 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@H]1CCCC[C@H]1CC 2164280423 BVBWICSNFOMUKK-SQNIBIBYSA-N 281.484 4.552 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CC3(CCC3)CO2)CC1 2166399443 BZHKTNUODXCJCJ-NVXWUHKLSA-N 275.436 4.836 30 10 CJEE C=CC1(C[C@H](O)c2ccc(F)cc2C(F)(F)F)CCC1 2168028837 QDMDOKYAODGNIQ-ZDUSSCGKSA-N 288.284 4.624 30 10 CJEE C[C@H](C1CCC(C)(C)CC1)N(C)CCCC(C)(C)C#N 2168495195 QDQXUPPMVURGLW-OAHLLOKOSA-N 278.484 4.853 30 10 CJEE C[C@H](N=C1NC2(CCCC2)CS1)[C@@H]1CCCC(C)(C)C1 2168617801 MXDALMHZNDUKDJ-UONOGXRCSA-N 294.508 4.597 30 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ZXNWYJGAKCVMTG-DLBZAZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1C[C@H]1CF)NN 2191446342 DWKFFTXOZUNLHG-IXDOHACOSA-N 286.479 4.735 30 10 CJEE CC#CCCC[C@@H](NCC)C1CCC(C(F)(F)F)CC1 2194060665 ZIOUVPCULJJXPR-YMAMQOFZSA-N 289.385 4.527 30 10 CJEE C=C(CN(C)[C@H](C)[C@@]12CCCC[C@H]1C2)c1ccccc1 2195489316 GXYVUSNPFVIWCN-NEWSRXKRSA-N 269.432 4.600 30 10 CJEE CCCCCCCCCN1CC[C@H]([C@H]2CCCCO2)C1 2195538078 YFWFCFBCRTVEPU-ZWKOTPCHSA-N 281.484 4.628 30 10 CJEE CCCCCCCCCCCCN(CC)CCN(C)C 2195921909 IGWROMYAUJDSFU-UHFFFAOYSA-N 284.532 4.791 30 10 CJEE C[C@@H]1OCC[C@H]1CCC1(C=O)CCC(C(C)(C)C)CC1 2196317748 VPBCGSPUAAJHEN-LCMLCXGQSA-N 280.452 4.613 30 10 CJEE C[C@H]1OCC[C@@H]1CCC1(C#N)CCC(C(C)(C)C)CC1 2196481854 NTAQEHMYSKTPIG-MHAAMQRSSA-N 277.452 4.938 30 10 CJEE CCCCCCCN(C)C[C@@H]1C[C@@H](C(C)C)CCC1=O 2196727402 OTACRZWTFJJGFH-IRXDYDNUSA-N 281.484 4.530 30 10 CJEE C#CC[C@@H](C)C[C@@H](CSc1cccc(C)c1)NCCC 2196846473 AQLZOTAPTXSEQY-WBVHZDCISA-N 289.488 4.505 30 10 CJEE 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252.442 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)C1CC(C(C)(C)C)C1 2321100087 YCISTJRKOYSUDU-UMPYDWHISA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC(C(C)(C)C)C1)NCC 2321113029 KVFOGXDQOHEQCR-PRLABOORSA-N 251.458 4.639 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@](C)(CC)CC=C 2321126595 BNRFDCJRHQCCAZ-ULQDDVLXSA-N 251.458 4.949 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc2ccsc2c1 2321138252 QDAPXQHHPYOZCW-WBMJQRKESA-N 259.418 4.764 30 10 CJEE CCCCCCC[C@](C)(O)c1ncsc1C1CC1 2321441311 QULYGRKSYUQYOB-HNNXBMFYSA-N 267.438 4.589 30 10 CJEE CC#CCCCC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2332426475 YGRRRFAOCGDGNS-XSLAGTTESA-N 261.453 4.504 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(C)cc1 2335102931 DWEBOIMHKCUHBG-WBVHZDCISA-N 277.477 4.734 30 10 CJEE C=CCC(CC=C)n1c(S)nc2cc(C)c(C)cc21 2335201925 XWCRZBBRDKGBMB-UHFFFAOYSA-N 272.417 4.635 30 10 CJEE C=CC[C@H](C)Sc1cccc(C)c1CNC1CCC1 2335248008 KLTDIYIBQIUFCC-AWEZNQCLSA-N 275.461 4.694 30 10 CJEE CCCCCCC[C@@H](C)NCc1snnc1C(C)C 2335728813 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4.726 30 10 CJEE C[C@@H](c1ccccc1)[C@@H](C#N)c1cccc(Cl)c1 57746205 MBZXMYUMOCBYED-BLLLJJGKSA-N 255.748 4.751 30 10 CJEE CC(C)c1nc(Cc2ccc(Cl)cc2)sc1CC#N 82429599 IORITXZPQAMWNX-UHFFFAOYSA-N 290.819 4.577 30 10 CJEE CCCCCN(CC1(CS)CCCCC1)C(C)C 94580889 HJBAZXVTCSLSDQ-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(CC(C)C)cc1 94896920 VFZMFKAUUDAXEC-LJQANCHMSA-N 278.399 4.870 30 10 CJEE O=C(/C=C\N1CCCCC1)c1ccc(-c2ccccc2)cc1 104729711 NSGHODSKIHBOGF-SSZFMOIBSA-N 291.394 4.536 30 10 CJEE CCCCCCCOc1ccc(C(=O)C2CC2)cc1 106150034 WBRQCOOWQPBTDT-UHFFFAOYSA-N 260.377 4.629 30 10 CJEE C=CC[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579271 KXSHRUKXWCGNIP-OAHLLOKOSA-N 252.357 4.945 30 10 CJEE C=CCCc1c(OCCC)cc(C)c(Cl)c1C 107624944 NMVSGMUBVIKLNE-UHFFFAOYSA-N 252.785 4.864 30 10 CJEE CCCCCCC[C@H](C)NCCCN(C)C1CCCCC1 109916653 JRXJNBMVCOSGQS-SFHVURJKSA-N 296.543 4.980 30 10 CJEE C[C@@H]1CCCC[C@H]1N(C)c1ccc(C(F)(F)F)cc1C#N 110256560 GGYZFTONDKDCHJ-BXUZGUMPSA-N 296.336 4.592 30 10 CJEE CCCCCCCC[C@H](CCc1ccccc1)NC 110446558 ZXVCPMGYBLHKDZ-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CCCCCCCCCc1nnc([C@H](CC)NCCC)o1 115862091 GBNNGNMVIGDVRK-HNNXBMFYSA-N 295.471 4.813 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)N(C)C 116503521 BNVFZYNKUDAWST-IRXDYDNUSA-N 271.489 4.608 30 10 CJEE CCCCCCCn1ccc([C@H](NCC)C2CC2)c1 118248944 WBWFBBITLIEYLN-QGZVFWFLSA-N 262.441 4.519 30 10 CJEE CCCCCCCCC[C@H](CCc1cccs1)NN 123247016 WDQAAIWSPCNIMM-OAHLLOKOSA-N 282.497 4.653 30 10 CJEE CCCCCCCOc1cc(Br)ccc1C#N 123470780 LXLAQFVGYYSFTQ-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE Cc1ccc(C(C)C)c(Oc2ccc(N)c(CC#N)c2)c1 127584388 SNDMDMQCXYRXNT-UHFFFAOYSA-N 280.371 4.559 30 10 CJEE CCCCCCCCCCN[C@@H]1CCc2cc(N)ccc21 129222234 PUPJBBIETHEMIG-LJQANCHMSA-N 288.479 4.986 30 10 CJEE C=CC[C@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 162621611 YZQVUZUPVPNZPY-HZMBPMFUSA-N 272.219 4.999 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@](C)(CC)OC 163480043 WFLSYSABQJXDPR-SJORKVTESA-N 271.489 4.920 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1(OCC)CCCCCC1 164779234 QBDNZTBXIMJBAA-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C(F)(F)F)cc1 167671321 HROBRYBYBFSFOV-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=CCc1c(O)cc(Cl)c2nc(-c3ccccc3)oc12 196092951 KFVXFZBACYWQDS-UHFFFAOYSA-N 285.730 4.582 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 212313591 SCGGOYHLQVZJLP-FGTMMUONSA-N 265.485 4.887 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCC[C@@H]2C)C1 226733045 WYRVWCAXRQUAKO-MLHJIOFPSA-N 290.495 4.996 30 10 CJEE CCC(CC)(CNc1ccc(C#N)cc1Cl)SC 232969996 VJIDBAWAKZHQKM-UHFFFAOYSA-N 282.840 4.545 30 10 CJEE CCCCCSc1ccc(C(F)(F)F)c(C#N)c1 233089107 JNFBARBAWSQAMP-UHFFFAOYSA-N 273.323 4.859 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C)c1Br 233532918 ZOUUUDDDCCVJBF-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE CCSc1ccc(C(=O)C2=CCCCCC2)cc1 233828189 LYXQEEPKQRGXQI-UHFFFAOYSA-N 260.402 4.872 30 10 CJEE CCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 249800490 MWWFXDYJVZXIRA-SOUVJXGZSA-N 251.414 4.548 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@H]2C#N)C1 252407175 HFDCRZPFUAYLKU-VSZNYVQBSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 253046240 PSEWFKPZBPVMGH-ADHGMGHFSA-N 283.500 4.775 30 10 CJEE CC(C)Sc1ccc(C2(C#N)CC2)cc1Br 260910041 SOIQERRTDOKIMX-UHFFFAOYSA-N 296.233 4.505 30 10 CJEE CCCCCCCCC[C@H](CN)N1[C@@H](CC)CC[C@H]1C 300516751 GGNPKQKRRHNMFY-FGTMMUONSA-N 282.516 4.717 30 10 CJEE CC(C)(C)CCCNc1cc(Br)ccc1C#N 302281365 JEXGQGDYXPPMEI-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1cccc(Cl)c1 311748155 UKLHERPRAAITQT-CYBMUJFWSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCCn1cc([C@@H](C)N)nc1CC 312322971 BBKLESJZJHWATO-OAHLLOKOSA-N 279.472 4.606 30 10 CJEE CC[C@H](C)[C@@H](c1ccccc1)[C@@H](N)CC#CC(C)(C)C 312361569 WQVHUDWUAABMNP-SZMVWBNQSA-N 271.448 4.583 30 10 CJEE CC(C)NC[C@]1(CC#CC(C)(C)C)CCCC[C@H]1C 317483953 CYRYPWBFYPBMAX-SJLPKXTDSA-N 263.469 4.621 30 10 CJEE N#C[C@]1(C[C@H]2CCC(F)(F)C2)CCCc2ccccc21 379437913 YWFMNJSWNLGKPH-CZUORRHYSA-N 275.342 4.610 30 10 CJEE CC[C@@H]1[C@H](C)CCN1CCCCCCCCCS 384304559 AAILJRRKVJWWEI-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cccc2ccccc12 384852048 LWJTUVYKVDRWPW-AWEZNQCLSA-N 253.389 4.703 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCCCC1CCOCC1 384887439 SMJQMHKYWPKKSX-NVXWUHKLSA-N 263.425 4.693 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1cccc(F)c1Cl 387437387 PBKKYBUVOIUSSR-LBPRGKRZSA-N 283.818 4.602 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)cc1C)C(F)(F)F 388245573 FZHRSMNROVVEOU-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE N#CC1([C@@H]2CCOC3(CCCC3)C2)CCCCCC1 388786829 LRSIZPAOCPUUIB-OAHLLOKOSA-N 261.409 4.590 30 10 CJEE C#C[C@@H](NCC(C)(C)CCCCC)c1ccccc1 393147194 IMQFRNDNGMCLNT-QGZVFWFLSA-N 257.421 4.557 30 10 CJEE CC[C@](C#N)(Nc1ccc(Cl)cc1)C1CCCC1 395609111 XTLVNQFKFKODFZ-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCC1(CC)CCN(C[C@H](C#N)C2CCCCC2)CC1 397141708 CHNJFSWBGLKLGX-KRWDZBQOSA-N 276.468 4.609 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCC(C)(C)C2CC2)C1 406122911 JCUCDRZEBATUHL-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE 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C=CC[C@@H]1CCCC[C@@H]1Nc1cc2ccccc2cn1 2235993955 CPTLDUZXOCMBRC-PBHICJAKSA-N 266.388 4.782 30 10 CJEE CC1(C)CCCC[C@]1(C#N)c1cc2ccccc2cn1 2236022005 RSSMWRBQBRZQFN-SFHVURJKSA-N 264.372 4.596 30 10 CJEE C=CCCCCCC[C@H](N)[C@H](O)c1sc(C)c(C)c1C 2236825547 GZFLCOBAZAZZTE-HOTGVXAUSA-N 295.492 4.561 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(O)C#Cc1ccc(Cl)cc1 2239452294 CMHDZAMNQLACHR-FUHWJXTLSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CCC[C@H]1CC 2239456065 HAEOLJLRFNCIIV-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE CCN[C@H](C#Cc1ccc(Cl)cc1)CCC1CCCC1 2239458284 ZDEMWYRTEJBUMM-SFHVURJKSA-N 289.850 4.640 30 10 CJEE C=C(F)C[C@@H](Cc1ccc(C(C)(C)C)cc1)NCCC 2240139016 BIXCXOZHNVSWFJ-KRWDZBQOSA-N 277.427 4.768 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccc(C2CCC2)cc1 2240375375 ULDPBPSVAZKGNS-IBGZPJMESA-N 263.384 4.667 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@H](N(C)C)C1 2240653479 HFVMXHHFXDZCPM-KSZLIROESA-N 282.516 4.588 30 10 CJEE CC=C(C)[C@@H](NCCC)[C@](C)(O)CCCCCCCC 2240653835 LCORKDGWPKPTBH-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CC(C)CCC[C@H](C)CCOCCCCCS 2248811601 JIXMVQMQJSQGLI-HNNXBMFYSA-N 260.487 4.956 30 10 CJEE C=CCCSC[C@H](NC)c1cc(Cl)cc(Cl)c1 2250064182 AGUOXASBCIXARJ-ZDUSSCGKSA-N 290.259 4.563 30 10 CJEE CCCCCCCCC[C@]1(C)NCC[C@H](C)S1 2252953805 UXFYXYOADABRBW-LSDHHAIUSA-N 257.487 4.958 30 10 CJEE C#CCCCCC[C@]1(O)CC(C)(C)CCC1(C)C 2261403427 VZJLJWIGRDWBHU-KRWDZBQOSA-N 250.426 4.538 30 10 CJEE SCCCCCCCOC[C@@H]1CC12CCCCC2 2263162565 NDMLOMXMCGJKCL-HNNXBMFYSA-N 270.482 4.854 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCC12CCC2 2263208253 RODRBTMMNAUVAF-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(CCC)cc2)CCC1 2268208952 AOUMPYFQNZPPAR-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE CCCCCC1CC(NCC=CC#CC(C)(C)C)C1 2268758173 VAMOSBKLCKAAKP-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE CCCCC[C@@H](CC)N(C)CC=CC#CC(C)(C)C 2268833333 KJIPLLRLPXFFJI-QGZVFWFLSA-N 263.469 4.883 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC2(CC2)[C@@H]1N 2271589949 IXRPAFHUXNBRPF-HZPDHXFCSA-N 281.509 4.906 30 10 CJEE C=CCCCSc1ccc(C)cc1CN[C@H](C)CC 2271598456 GXTAVBMDRRIWJD-OAHLLOKOSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCC[C@]1(O)CC[C@H](C)c2ccccc21 2271789849 XZVNHRITVZGGQX-YJBOKZPZSA-N 258.405 4.908 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](OCC)C(C)(C)C 2271835214 PTTNGNROVARAHF-HZPDHXFCSA-N 269.473 4.552 30 10 CJEE C/C=C/CCC[C@@H](CCCCCCC)OCC(=O)O 2275268603 KYNMLLDHRNRUCD-DRDHIDPGSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@H](CCC(C)C)OCCCN 2276143324 ZHCJRWLCNWFRFL-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)CCC)OCCCN 2276469646 HLEVYNVOEWKUOG-DLBZAZTESA-N 271.489 4.907 30 10 CJEE C=C(C(C)(C)C)[C@](CCC)(OCCCN)C(C)(C)C 2276573706 XLKVZFCSBMRJGP-KRWDZBQOSA-N 269.473 4.539 30 10 CJEE C=C1CC(C#N)(Cc2c(C)c(C)c(C)c(C)c2C)C1 2277459364 DITGCPVJEZIQEH-UHFFFAOYSA-N 253.389 4.631 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC23CCC3)CCOC12CCCCC2 2280997730 UUSONODVDCDMTF-RDJZCZTQSA-N 273.420 4.590 30 10 CJEE CCCCCC#CCN(C)Cc1ccc(CCC)cc1 2283533320 QWKDULNWCSKFDQ-UHFFFAOYSA-N 271.448 4.655 30 10 CJEE CC(C)(C)C#CC=CCc1nnc(C2CCCCC2)s1 2284091496 YATCXEKUXWLTQO-UHFFFAOYSA-N 288.460 4.734 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCCC2(CC2)C1 2284111709 JZHDUYKMFASQLU-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(C(F)F)cc1 2284137737 RWTVGDYKIISMOD-HNNXBMFYSA-N 278.342 4.653 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@]12CCCC[C@H]1CCC2 2284165771 FCEPWLNMVUXFCZ-JENIJYKNSA-N 273.464 4.670 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](OCC)C(C)(C)C 2287468505 VODNNFOOZXRWCS-DLBZAZTESA-N 283.500 4.942 30 10 CJEE C=C[C@@H](C)CCN(C)c1cc(Cl)ccc1[C@@H](C)NCC 2288883797 UOZBUOJQBSXVQG-ZIAGYGMSSA-N 294.870 4.659 30 10 CJEE CCCCCCCC[C@H](CC(F)(F)F)OCCC(=O)O 2290633573 XQYQHRDGMYXUNQ-GFCCVEGCSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H]1CCC[C@H]1C 2290873524 RUECTDCDBWJXHF-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE CC=C(C)[C@@H](CCCCCCCCC)OCCC(=O)O 2291021352 WCBHNIMNDRHWGU-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCCCC1(OCC(=O)O)CC(C)(CC)C1 2291558646 JWNXINGVHUXSNI-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1sc(C)cc1C 2293902242 WIBHGTOWXVJWNQ-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CCC[C@H](CC(C)C)C1 2294166713 MTZCRTLYNYNJCO-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=C(C)C[C@](CC)(OCCCN)C1CCC(C)(C)CC1 2294169767 IUEGCHMAGYTOOR-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@@H](C(C)(C)C)C1 2294651903 QAAIZBDGFNJREZ-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCC[C@H](CC)CS[C@H](C)C[C@@](C)(C#N)NC1CC1 2295766814 QTIHKKKEAZTDKA-VYDXJSESSA-N 296.524 4.749 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)c1ccc2ccsc2c1 2295882404 WBKHPUCNDYCKST-DOTOQJQBSA-N 291.460 4.623 30 10 CJEE O=C(C=CNc1ccc(C(F)(F)F)cc1)c1cccs1 2297535045 WSBCXKFTNSOVJL-UHFFFAOYSA-N 297.301 4.575 30 10 CJEE C=CC[C@@H](C)Sc1cccc(SCC)c1C#N 2298932462 JAAZDIDCADGGNI-LLVKDONJSA-N 263.431 4.727 30 10 CJEE C=C1CC(C[C@H](O)c2c(Cl)cc(C)cc2Cl)C1 2307624868 CGWPRTBWUKVGLP-ZDUSSCGKSA-N 271.187 4.692 30 10 CJEE CC1(C)C[C@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2318629156 ITPRZXJGCBIDNU-HNNXBMFYSA-N 285.214 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1[C@@H](CC)[C@H]1C 2321126424 ALETXAXBOBQAHE-JJTUDDRGSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@H]1CC[C@H](CCC)CC1 2321223891 PENRWWUWWQIRFK-JYJNAYRXSA-N 252.442 4.946 30 10 CJEE Fc1cc(CC[C@@H]2CCC[C@H]3O[C@@H]23)c(Cl)cc1Cl 2325258134 HIPUDMJRLIRBPK-PCTYZZJISA-N 289.177 4.633 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329733446 YXBYZKMWDQXFOB-LJISPDSOSA-N 274.395 4.779 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329793196 SKMXNSJTTJRXEV-SFDCQRBFSA-N 267.363 4.778 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@H]2CC[C@@H]1C2 2334640488 DJBGPKPIGMUYHD-KSZLIROESA-N 263.469 4.929 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CCCC[C@@H]1CC2)NN 2334793787 AMXPVKIGGSRUGX-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C(C)C)CC1 2337111454 LULHEXSPXPMVIQ-TVFCKZIOSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)C1(CNCC(C)C)CCSCC1 2338741701 PJGIHLQZJLSGGC-UHFFFAOYSA-N 281.509 4.514 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccsc1OC 2338747545 QWWPQXGQDYXPJX-HNNXBMFYSA-N 279.449 4.566 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2339021375 BKOWSPMIXQCKBX-RSJGLCBASA-N 262.437 4.988 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H]2C[C@H]1CC21CC1 2339465116 UYBXNUAZIDUAFY-BBWFWOEESA-N 263.469 4.905 30 10 CJEE CCCCCCCCC[C@](C)(O)C#C[C@@H]1CC1(C)C 2339630205 ZFBGEOUQDMEOBE-AEFFLSMTSA-N 264.453 4.928 30 10 CJEE CCCCCCCCCC[C@H](N)C#C[C@@H]1CC1(F)F 2341042240 DSBZIJPBSGIPRR-CABCVRRESA-N 271.395 4.503 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cc2cc(Cl)ccc2o1 2341897086 OMXQJCNSEYXUCD-BBRMVZONSA-N 275.779 4.703 30 10 CJEE C=CC[C@H](C)[C@H](O)[C@@H](c1ccccc1)C1CCCC1 2342370201 JPBAKDLMJDETMP-WBAXXEDZSA-N 258.405 4.534 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[C@H]1C(C)(C)C 2343368075 QXUYUDPIOIFGFF-TWMKSMIVSA-N 263.469 4.783 30 10 CJEE C=CCCCN(CC)Cc1cccc(C2CCC2)c1 2343743539 OEMIYTMNDCPDPJ-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccccc1CSC 2344347157 ZLGWMFKPXQXCHC-WMLDXEAASA-N 277.477 4.803 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@](C)(CC)CC=C 2344375659 OAHHWXDXFQRBKU-MSOLQXFVSA-N 263.469 4.931 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C2(C)CC2)cc1 2344379535 JBMXXYRTYPMMEM-QGZVFWFLSA-N 256.389 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2344477217 RQEATLMLMMRDOD-SFFUCWETSA-N 262.437 4.722 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC[C@@H]1CCCC12CC2 2352170294 AOGRIMKBQOMPRS-HOCLYGCPSA-N 284.509 4.956 30 10 CJEE N#C[C@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354850082 ORABTYYVHHNGTL-KNCOVGOOSA-N 279.374 4.922 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@H]1C)NCC 2357005866 KCAYSOOCOAVGHF-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE Cc1cc([C@H](C#N)c2ccccc2)c2cc(Cl)ccc2n1 26440633 KKMUGTVNAZLKPM-QGZVFWFLSA-N 292.769 4.852 30 10 CJEE O=C1/C(=C\C=C/c2ccco2)CC/C1=C\C=C/c1ccco1 33924424 MIOHHBGSJIIFNZ-NERDJAPJSA-N 292.334 4.815 30 10 CJEE CC(C)(C)c1ccc(Oc2ccc(C#N)cc2F)cc1 36886844 NITIUDREYGVYSY-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE C[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 37271968 FCPCOOUJIHGODD-JLSDUUJJSA-N 284.447 4.814 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)c2ccc(OC)cc2O1 43397020 NGVWKGZPIAQNOR-SFHVURJKSA-N 290.403 4.780 30 10 CJEE COc1ccccc1C[C@@H](C#N)c1cccc2ccccc12 57756270 CXFJAXKIBZWVAX-KRWDZBQOSA-N 287.362 4.698 30 10 CJEE CCCCCCCCCN[C@@H](C)CCCN(CC)CC 59088922 WWEAULIQPJXIBY-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCOc1ccc(C=O)cc1[N+](=O)[O-] 59203688 CWFNFPWGXXIQOD-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC)c(Cl)c1 59276881 UTHJRHNFKODVAD-HNNXBMFYSA-N 283.843 4.970 30 10 CJEE N#C[C@@H]1CCCC[C@H]1c1ccc(Cl)c(Cl)c1 62625222 WCZFGQRUHUQQLJ-QWRGUYRKSA-N 254.160 4.791 30 10 CJEE COc1ccc([C@H]2CCCCC[C@@H]2CC#N)cc1Cl 62670576 AJIIUMYQRNQHRB-OCCSQVGLSA-N 277.795 4.926 30 10 CJEE Cc1cc(C)c(C#N)c(Sc2ccc3ccccc3c2)n1 70137013 YWMMKJCNYHCGRH-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE C=C(C)CSc1nc(-c2ccc(C)cc2)cs1 71257854 LUEHYJPVVKHADV-UHFFFAOYSA-N 261.415 4.787 30 10 CJEE C[C@H]1CC(Nc2ccc(C(F)(F)F)cc2C#N)C[C@H](C)C1 84978437 OJCMIVQCPMSVPM-GHMZBOCLSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2OC)C1 87996918 MIVRIYQTXNIFQU-WBMJQRKESA-N 277.795 4.611 30 10 CJEE Cc1cc(C)c(C#N)c(Nc2ccc3sccc3c2)n1 88127440 NLXUHILCNILWBH-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE C=CCc1cc(N)ccc1OC[C@H](CC)CCCC 89064613 JKMJIIHIVANHBP-CQSZACIVSA-N 261.409 4.593 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(C)sc2C)C1 91884134 LJDYWBUTDICJPW-BMFZPTHFSA-N 277.433 4.509 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2c(F)cccc2Cl)CCCC1 94902652 UJGDPSYJVWMVIJ-NSHDSACASA-N 293.769 4.626 30 10 CJEE CCCCCCCNCc1ccc(OCCC)cc1 100027298 DBCLRJMVEMAFTE-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE C#CC[C@H](CCC)c1ccc(Br)c(C)c1 107608941 WRJCTZBESRZHKE-GFCCVEGCSA-N 265.194 4.665 30 10 CJEE CCCCCCC[C@H](N)c1ccc2ncccc2c1 109345309 QCSQVOIJOKIFJJ-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC(C)C)CC(C)C 110017269 ZDDAUNLIIVLCFW-GOSISDBHSA-N 284.532 4.678 30 10 CJEE CCN(c1cccc(F)c1)c1ccc(Cl)cc1C#N 110257192 PDGCWLBMMJSWNR-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE Cc1ccc(C#N)c(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 110259643 HQEQPUPSALUZTL-KYJSFNMBSA-N 271.404 4.706 30 10 CJEE CCCCCCCn1ccc2cc(CNC3CC3)ccc21 112933315 UIFKYRQWBNMBDS-UHFFFAOYSA-N 284.447 4.864 30 10 CJEE CCCCCCCCN[C@@H](C)c1cccc(OC)c1 112936032 ILCOFLBISHZUKC-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@H]1CC(C)C 115243516 JGZLXWWPMWGYJP-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](C)c1ccncc1 117683856 SQEHTNPVLPGSHL-WBVHZDCISA-N 262.441 4.524 30 10 CJEE N#Cc1cc(Cl)nc(Oc2cc(Cl)ccc2Cl)c1 122554341 XYFKIVIEAVSTPM-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](CCC)OCC 125967140 HUNVTNFWYBJIQL-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCc1ccc(Oc2ccc(F)cc2C#N)cc1 126282759 JHXUEIUFQVCGBJ-UHFFFAOYSA-N 269.319 4.832 30 10 CJEE CC(C)c1ccccc1Oc1c(F)cc(C#N)cc1F 127468965 FRAVOAXEFPHHKP-UHFFFAOYSA-N 273.282 4.752 30 10 CJEE CCCCCCCCN[C@H](C)c1c(F)cccc1OC 129230718 DOWPOXMNELZMBY-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCN(c1ccccc1)c1cc(OC)ccc1C#N 130475717 RNXSMOSRRVYMIL-UHFFFAOYSA-N 280.371 4.505 30 10 CJEE CCCCCCCCCCCCNC[C@@H](O)CCC 134405238 SFQHWLANFAPQDN-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CCCCCCCC(=O)COc1ccc(Cl)cc1 135414582 BLKBZRGKEJDUPG-UHFFFAOYSA-N 268.784 4.648 30 10 CJEE CCCCCCCCCC[C@H](O)COC(C)(C)C 135555877 FLVQLTMKWAJUBS-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE CSc1cccc(O[C@@H]2CCCc3ccccc32)c1C#N 136701973 NPRHELZBEIDXFU-MRXNPFEDSA-N 295.407 4.737 30 10 CJEE CCCCCCC[C@H](N)[C@H](C)Oc1cccc(Cl)c1 139610071 HZTUVNZFTHBWGG-BBRMVZONSA-N 283.843 4.795 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccc(Cl)cc1F 162181940 DWDUHBMIMFUIOL-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccncc1CC 167622754 AXRIKCHJOVABQI-QGZVFWFLSA-N 263.425 4.818 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](OC)c1ccccc1 167854829 SBGIFLLGLNQZOD-MSOLQXFVSA-N 277.452 4.842 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 213757984 APEIINGQXZSRAX-YPMHNXCESA-N 295.785 4.872 30 10 CJEE C=CCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 219304430 FRXFTFVDTIYFTD-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc3ccccc3[nH]2)C1 227840088 RWFZZEZDBSYQGQ-XPKDYRNWSA-N 284.428 4.978 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(F)F)cc2)C1 228398468 CECPUEWFVPZOAV-ISTRZQFTSA-N 293.357 4.768 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](NC)c2ccccc2O1 229240152 SAWUIWOKJVXOFE-AEFFLSMTSA-N 275.436 4.849 30 10 CJEE C=CCOc1ccccc1CNc1cc(F)cc(Cl)c1 229988650 FYOBJJQDWACUTH-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C=CCCCCC[C@H](NCC)C1(OCC)CCCCC1 233534478 CJCXHMPFDRXZGI-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H]1CCC[C@@H](C)C1 250822409 LWCBDSVBEPJESY-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 299981201 GGUJVWSZCRVHNU-BRWVUGGUSA-N 275.436 4.978 30 10 CJEE C=CCCCCC[C@H](O)C(C1CCC1)C1CCC1 306075971 GDTUXXGXFRIVRA-INIZCTEOSA-N 250.426 4.700 30 10 CJEE CC(C)(C)[C@H]1CCCC/C1=C/B1OC(C)(C)C(C)(C)O1 307575420 KAZNNZQMYUQKAN-DINCDJDBSA-N 278.245 4.781 30 10 CJEE Clc1cccc(Cl)c1/C=N\C1CCCCC1 309190222 IQOJYHRXYFKRAP-SXGWCWSVSA-N 256.176 4.745 30 10 CJEE CCCCCCC[C@@H](N)C(C1CCC1)C1CCC1 310708611 ZUJWSPXCKGNAAK-MRXNPFEDSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCNc1ccnc(C(F)(F)F)c1 382231593 UXHIULPBLCBINE-UHFFFAOYSA-N 272.314 4.649 30 10 CJEE CCCC1CCC(C#N)(CC2CC(F)(F)C2)CC1 383177099 MEFICOIJCDUKSN-UHFFFAOYSA-N 255.352 4.922 30 10 CJEE CCC[C@](O)([C@H]1CC1(C)C)C1(C#N)CCC(CC)CC1 397703172 MTBULPCEXSBIQZ-LSCKAKRGSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@@H](C)N[C@H](c1cccs1)C(C)C 398097964 GHJJWUKBIBWSQD-HIFRSBDPSA-N 251.439 4.780 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCC[C@H](CC(C)C)C1 398111552 NFAMKYSUHXXDJA-GVDBMIGSSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H]2C[C@@H]2C1 403868101 YFTKCIRMOHAFKT-TVFCKZIOSA-N 280.500 4.785 30 10 CJEE C=CCCCN(C)C(=O)c1cc2c(Cl)cccc2s1 605645225 FQQKNAZSVANHDP-UHFFFAOYSA-N 293.819 4.593 30 10 CJEE C#CCCCCC[C@H](Cc1cccc(Cl)c1)NCCC 686696644 AASXSNRGIZITDN-GOSISDBHSA-N 291.866 4.834 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1ccsc1 692274322 ZXAAPHWVHYFHBT-KBMXLJTQSA-N 263.450 4.924 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@@H](C)CCN 696195723 HNVFSBCLUGENLE-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCC1CCC(C=O)(CCCOC2CCCC2)CC1 699958923 JSBXHCMPBMOZLR-UHFFFAOYSA-N 280.452 4.901 30 10 CJEE C=CCCC(C)(C)CN[C@@H](c1ccccc1)C1CC1 704023599 PFTWCSQSGKRZNH-KRWDZBQOSA-N 257.421 4.720 30 10 CJEE CCCCCCCCCCCC[C@@H](CN)COC 704219294 QSEHSCGSULVEJE-INIZCTEOSA-N 257.462 4.519 30 10 CJEE CCCCCCCC[C@]1(N)Cc2ccccc2[C@H]1C 704426488 OACPLKRSBZWOTR-QAPCUYQASA-N 259.437 4.794 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CCCN(C)C1 705096957 OBYDRSVNSWGQOO-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H](C1)C2 708332798 XNZROFGVXDOMBC-HVVXOQGOSA-N 275.480 4.926 30 10 CJEE N#Cc1ccc(N2CCC[C@@H]2C2CCCCC2)c(Cl)c1 708491918 LVJHMDAWNXTPJW-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@@H]1CCCC(C)(C)C1 709604478 JHKNJJPIPNDUHR-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCCNC[C@H]1CCC(C)(C)CO1 711308665 BLMBTQYUJGUIIV-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C[C@@H]1CC[C@@H](C/N=C2/NC3(CCCCCCC3)CS2)C1 713202682 MIIANFYFBJWRFA-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccc(SC(F)(F)F)cc1 715028987 MTTRJNMQUKSYEP-SKDRFNHKSA-N 276.323 4.544 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@H]12 717660487 HNSPEYYCWFNGMJ-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc(C(F)(F)F)s1 718011501 OAYPGLSJNWBPBA-VIFPVBQESA-N 296.317 4.812 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H]([S@](=O)CC(C)(C)C(C)C)C1 718760353 RLKGFUSRRRDKRV-IHSNIMORSA-N 297.508 4.526 30 10 CJEE CCCCCCC[C@H](C)NCc1ncc(C)cc1C 724059876 KVZUSFPQKNJJBA-INIZCTEOSA-N 262.441 4.537 30 10 CJEE CCCCCCCC[C@H](O)CC1C[C@H](C)O[C@@H](C)C1 724397458 PJWCRIPJMXDTRH-ZOBUZTSGSA-N 270.457 4.692 30 10 CJEE C=C1CCC(CSC(=N)Nc2ccccc2)CC1 724583402 UXQFFPHHQPDRGG-UHFFFAOYSA-N 260.406 4.513 30 10 CJEE CC(=NNc1ccc(C(F)(F)F)cc1)C1CC(F)(F)C1 863103948 OVOKNJBWPRFYHG-UHFFFAOYSA-N 292.251 4.539 30 10 CJEE C=C(C)CCC(=O)N1c2ccccc2[C@H](C)CC1(C)C 1127577960 RWNWZTZEPUBVIW-CQSZACIVSA-N 271.404 4.662 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](CCC)C1CCCC1)c1ccccc1 1129637711 IDFPOUPHPCEINV-QFBILLFUSA-N 299.458 4.821 30 10 CJEE C=CCC(F)(F)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1133930382 DJJSYQSICWBSBP-LLVKDONJSA-N 293.357 4.621 30 10 CJEE C=C(C)CCN1CCC(Cc2ccccc2Cl)CC1 1175437242 UHNSSMABFVVWLW-UHFFFAOYSA-N 277.839 4.561 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cc(C)no1 1258229445 NSWQWWGSXLXWKW-AWEZNQCLSA-N 266.429 4.602 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@@H](CC(C)C)C1)c1ccccc1 1265585391 HNHGUKSJMKWLSL-HKUYNNGSSA-N 299.458 4.631 30 10 CJEE C#CCCCCC(=O)O[C@H](C)c1oc2ccccc2c1C 1269119340 SCYRLJTUOAHNPC-CQSZACIVSA-N 284.355 4.539 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CC12CCCC2 1274720683 HALSJVSXJKIFDU-INIZCTEOSA-N 277.452 4.600 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1278692510 GGMWNGXJGGMVQW-CQSZACIVSA-N 279.468 4.652 30 10 CJEE C#CCN(Cc1ccccc1OCCCC)C1CCCCC1 1308589643 IWCBTZWNIWBING-UHFFFAOYSA-N 299.458 4.633 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 1351122949 SXNVVAAWDZWJCK-UHFFFAOYSA-N 299.345 4.769 30 10 CJEE C=CCCCC(=O)O[C@H]1c2cc(Cl)ccc2CC1(C)C 1435756698 FGXLTYBZNTVUEH-INIZCTEOSA-N 292.806 4.863 30 10 CJEE C=C[C@H](CC(=O)NCC1(CC(C)C)CCC1)c1ccccc1 1457937747 BCWBEJHBFPWLIN-QGZVFWFLSA-N 299.458 4.679 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc(Cl)c(C)c2Cl)C1 1462464453 YSLRNLXNNNMYIC-GFCCVEGCSA-N 284.230 4.700 30 10 CJEE C#CCCCCCCN[C@@](C)(Cc1ccccc1)C(C)C 1462500631 AAGITERSYVBURZ-FQEVSTJZSA-N 285.475 4.817 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCC[C@H]1[C@H](C)CC 1471015958 HTFHEGMBJZYBKV-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C(\C)c1cccc(Cl)c1 1519988832 GBVPOWUNEMLNQC-YPDDLIOESA-N 291.822 4.604 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](C)CC1CCCCC1)c1ccccc1 1525321905 DYRXQTUPGFSRNA-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCCCC)C(C)C 1529652689 ZFGQMYDVMTWFAN-BBWFWOEESA-N 277.452 4.549 30 10 CJEE C=CC[C@H](C(=O)O[C@H](C)c1ccccc1F)c1ccccc1 1535830290 RJLFXOZIQDFUBR-PBHICJAKSA-N 298.357 4.790 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)CC1CCC1 1559497098 JNZWTKPKOCWDOQ-UHFFFAOYSA-N 283.459 4.872 30 10 CJEE C=CCC1(NCc2ccc(SC)s2)CCCCC1 1560472176 NWIPWZUPRXDZPP-UHFFFAOYSA-N 281.490 4.839 30 10 CJEE C#C[C@@H](NCCC1CCCCCC1)c1ccc(Cl)cc1 1560864364 DGLGZXRSVQNXNB-GOSISDBHSA-N 289.850 4.964 30 10 CJEE C#Cc1ccc(NC[C@@]2(C)C[C@@H]2c2ccccc2)c(Cl)c1 1561030977 BAQKIQICNQVZLC-VQIMIIECSA-N 295.813 4.927 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@H]1CCCCC12CCCC2 1564428579 BCNZQLRPUFOWET-HOTGVXAUSA-N 292.467 4.533 30 10 CJEE C=CCCC1(CNC(=O)c2sccc2CC)CCCC1 1587240348 YDKKUAUYZHFQNK-UHFFFAOYSA-N 291.460 4.567 30 10 CJEE C#Cc1ccc(C(=O)NCCCCCCCCCC)cc1 1588089444 HURJCWSCSWGHAM-UHFFFAOYSA-N 285.431 4.538 30 10 CJEE CCOc1ccc(C#Cc2ccc(CC(C)C)cc2)cc1 1614817648 FUBQNIDIPAHLSC-UHFFFAOYSA-N 278.395 4.684 30 10 CJEE COc1ccc(C#Cc2c(Cl)cccc2Cl)c(F)c1 1614827137 MQUXAUUUEWSSTB-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C=C[C@H](OC(=O)c1ccc(C(C)C)nc1C)c1ccccc1 1617548956 MNWGYCFPHMMXBT-SFHVURJKSA-N 295.382 4.598 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1 1617653133 LLTABEIIFVATEU-QZTJIDSGSA-N 297.442 4.575 30 10 CJEE C=C(C)c1cccc(NC(=O)CSc2ccc(C)cc2)c1 1618527606 COHAAPWYOSULEB-UHFFFAOYSA-N 297.423 4.759 30 10 CJEE CCC1(CC)CCC(Nc2ccc(CC#N)cc2)CC1 1620733554 FNVFMUNRHPUHNG-UHFFFAOYSA-N 270.420 4.914 30 10 CJEE C=CCCCC[C@H](C)NCc1cnccc1C(C)(C)C 1621391002 MCJLQRHEXZRSGL-HNNXBMFYSA-N 274.452 4.604 30 10 CJEE C#C[C@H]1CCCN(C(=O)[C@@](C)(CCC)CCCCCC)C1 1627747252 SIQUPKQBDNOOEZ-HKUYNNGSSA-N 291.479 4.635 30 10 CJEE C=CCC1(CNc2cc(C)nc(C3CCC3)n2)CCCC1 1642686846 XRDMAHLKVWXGDN-UHFFFAOYSA-N 285.435 4.601 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(OC)c1Cl 1643803426 SITGECYDSFYINI-UKRRQHHQSA-N 293.838 4.573 30 10 CJEE C#CC1(NC[C@H](C)Cc2ccc(C(C)(C)C)cc2)CCCC1 1651473125 YXZYPRYOAKDGHM-QGZVFWFLSA-N 297.486 4.698 30 10 CJEE C=C(C)CCOc1ccc([N+](=O)[O-])cc1Cc1ccccc1 1651715360 AJCINIFWOLIFGV-UHFFFAOYSA-N 297.354 4.531 30 10 CJEE C=CCCCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1652361199 CPZDQRLJUZIZFR-HZPDHXFCSA-N 297.364 4.897 30 10 CJEE C=C(CC)CN[C@H]1CC=C(c2ccc(Cl)cc2)CC1 1652664561 WWLJESWXDQVRNB-KRWDZBQOSA-N 275.823 4.832 30 10 CJEE C=C(C)CN(CCSc1ccccc1)Cc1ccccc1 1653499939 GQQKTFFSAKTNSG-UHFFFAOYSA-N 297.467 4.857 30 10 CJEE C=CCCN1CC[C@H](C)Sc2ccc(Cl)cc21 1653728626 ZYXWSKIVSFYXJA-NSHDSACASA-N 267.825 4.607 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1OC 1659401858 WGABCVPUWMJIHO-CJNGLKHVSA-N 293.838 4.573 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 1660234232 KKGHHPKOMCQGRU-KRWDZBQOSA-N 292.426 4.537 30 10 CJEE C=CCCCN(CC)C(=O)Nc1c(Cl)ccc(C)c1C 1661507490 YBKUSPSGSOYQQZ-UHFFFAOYSA-N 294.826 4.777 30 10 CJEE C=CCCC(C)(C)NC(=O)NCC(C)(C)C1CCCCC1 1680507078 ZSADPWBQOOONLF-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE CC#CCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 1879645984 AZIFYUAIXREQTL-ZDUSSCGKSA-N 288.334 4.526 30 10 CJEE CC#CCCC[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 1879648376 VPROKAUDAMQGFV-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE CCCCCCCCC[C@H](N)CC1(CCOC)CC1 1882422273 BJHOLHJPDRZCEZ-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H]1CCC2(CC2)C1 1885235412 HBHRVZZNGRINRU-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C[C@H](C1CCCCC1)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 1885275264 SWQILVVNSQVWCC-BPLDGKMQSA-N 278.245 4.685 30 10 CJEE C#CCCCCC[C@H]1CCCC(C)(C)[C@@H]1NCCC 1888263199 GCJPNYLBKVGWJY-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=C(C[C@H](NC)c1ccc(Cl)cc1)c1ccccc1 1888700886 JIXLSZOTJXIBSF-KRWDZBQOSA-N 271.791 4.704 30 10 CJEE C[C@@H](CC1CC1)OCCCCCCCCCS 1917412952 RSCOPKVJPVJULZ-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)c1csc(C)c1 1919126842 OKGVQLGCKPVREP-QGZVFWFLSA-N 296.476 4.974 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC23CCC3)cc1C 1921614688 HRMGUIVHEMLVHN-GOSISDBHSA-N 253.389 4.710 30 10 CJEE O=C[C@]1(CCSC2CCCCC2)CCCC12CCC2 1921626265 ZRPQATKVNNBKMP-QGZVFWFLSA-N 280.477 4.982 30 10 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30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC2CC2)cc1 2335235435 OWBNKPWYXGFMCR-UHFFFAOYSA-N 273.445 4.552 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(COC)s1 2336709957 SPLRPQDOZRZIHP-HNNXBMFYSA-N 283.481 4.906 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1C[C@H]2CCCCC[C@@H]2C1 2337080300 GILGYXJXZAUGRC-KONPQCLYSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1CC 2337099236 RUVGLNMLMODAQH-YXJHDRRASA-N 257.421 4.644 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1C[C@H]1C1CC1)NCCC 2338748529 YTGFCMKDMKVJPC-SQNIBIBYSA-N 261.453 4.559 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1C[C@H]2CCC[C@H]1CC2 2339090212 UFGHFDYECAQTBT-YESZJQIVSA-N 263.469 4.785 30 10 CJEE C=C(CNCCCC1=CCCCC1)c1ccccc1 2341089046 SOVMXBLIRXHZKU-UHFFFAOYSA-N 255.405 4.570 30 10 CJEE CCCCC#CC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341121720 NMPVOZRGMYEKCW-INIZCTEOSA-N 298.257 4.837 30 10 CJEE CC1(C)CCC[C@](C=O)(CC[C@@H]2CC[C@H]2C2CC2)C1 2342537111 CRUAKJLTVVIYQY-BQFCYCMXSA-N 262.437 4.988 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C2CC2)C1)NCCC 2344349533 UDSWRUVVSVYGSE-PREGVCBESA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C(F)F)o1 2344371798 MXDVQXOWWUWWPM-ZDUSSCGKSA-N 271.351 4.860 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1C1CCCC1)NC 2344375949 FJUWSMIBODMHTR-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(C(F)F)c1F 2344378459 GNOOECLQQHCMGR-ZDUSSCGKSA-N 271.326 4.626 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)C[C@@H](C)CC[C@@H]1C 2352000613 HACHYTHPXGXSRY-HEHGZKQESA-N 282.449 4.520 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(F)ncc1C 2352277902 PMHAQFSWRKXXBT-OAHLLOKOSA-N 267.388 4.703 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)[C@@H]1C 2352310213 BCVSNJTXGQODLP-AIANPOQGSA-N 285.541 4.725 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@](C)(F)C(C)(C)F)NCC 2353294152 ACMALYXYPHLERX-BPUTZDHNSA-N 275.427 4.823 30 10 CJEE CSc1cc(SCc2ccccc2C)ccc1C#N 2353843456 SBRGOHRTYRYVEB-UHFFFAOYSA-N 285.437 4.881 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@]12C[C@H](CO1)C2(C)C 2359838594 PJQRUTZKIXVYEC-NUJGCVRESA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)OCCN 2360054428 AFRRHEPSYMYWAG-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)Sc1cc(C)ccc1C[C@H](N)CC 2360208010 LRSOCNMKTPWAFB-MRXNPFEDSA-N 289.488 4.888 30 10 CJEE C=CCC[C@]1(C)C(=O)N(c2ccccc2)c2ccccc21 2180775 YLBCSZXXLFUQIY-IBGZPJMESA-N 277.367 4.589 30 10 CJEE O=C(/C=C\c1ccccc1Cl)c1cc(Cl)ccc1O 34932141 DJWIIZNUTCDRGV-ALCCZGGFSA-N 293.149 4.595 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 37256598 VCZURQJNHMMTEM-GWCFXTLKSA-N 282.309 4.568 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCc2c(O)cccc21 37766726 DTROPKKKRPKMRZ-OAHLLOKOSA-N 297.423 4.770 30 10 CJEE CCCCCCCc1noc(N)c1-c1ccc(F)cc1 59211555 GWFZVMNZJHWGER-UHFFFAOYSA-N 276.355 4.576 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(F)ccc1OC 59290980 DLOZMHHAWNNBMV-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE Fc1cccc(/C=N/Nc2cc(Cl)ccc2Cl)c1 59398986 SAOLNQZWENBVMW-CAOOACKPSA-N 283.133 4.579 30 10 CJEE CCCCCCCCO[C@@H](C)C(=O)c1ccc(F)c(F)c1 59526413 CPCCSADKVKKFDN-ZDUSSCGKSA-N 298.373 4.913 30 10 CJEE N#Cc1ccc(Oc2ccc3ccc(O)cc3c2)cc1Cl 61847292 GDCRPOMSKRPRLJ-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)c(Cl)c1 69371595 SBYNYTYUISQXBN-GFCCVEGCSA-N 250.773 4.592 30 10 CJEE Cc1ccc2c(C#N)c(Cl)n(CCc3ccccc3)c2c1 71466417 OQZLPHZFOKGSIG-UHFFFAOYSA-N 294.785 4.718 30 10 CJEE CC(C)c1nc(CSc2ccccc2)sc1CS 82430126 ZYTTXZRNGRCNMM-UHFFFAOYSA-N 295.498 4.989 30 10 CJEE CCC1(CC)CC(C#N)(c2ccc(OC(F)F)cc2)C1 86521022 WJNGMNQYQOOMDC-UHFFFAOYSA-N 279.330 4.650 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)C1CCCCCCC1 86580059 MFPAPJZPWYFBPX-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE CCCCCCCCCCN(CC)[C@@H]1CCC[C@@H]1CN 91312965 OTDUHJWFZRLUGC-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCC[C@@H]1CCC[C@](O)(C2(C#N)CCCCC2)CC1 91903422 KYCZLYLEMMPMFB-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CCC(CC)(CS)CN(C)Cc1ccc(Cl)cc1 94581338 ONRYAXAXIOVEQS-UHFFFAOYSA-N 285.884 4.508 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)c2ccccc2n1 97816645 UKBLZLSCOJYPMM-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)CC)cc1N 104313262 WEHKHVLYVARHKF-UHFFFAOYSA-N 291.435 4.991 30 10 CJEE C=CCn1c(C2CCCCC2)nc(C(CC)CC)c1N 106840272 UAGNVYMNHDWICH-UHFFFAOYSA-N 275.440 4.603 30 10 CJEE C#CC[C@@H](CCC)c1ccc(C)cc1Br 107497880 ORNNSAQEPYUDOQ-LBPRGKRZSA-N 265.194 4.665 30 10 CJEE CCC#CCCc1cc(Cl)cc(C(C)C)c1OC 107631835 WXDDTSHANJUGRQ-UHFFFAOYSA-N 264.796 4.818 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(C)cc(C)c1OCCC 107665200 QCTLWHSIOVUPQW-ZBFHGGJFSA-N 258.405 4.855 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)c(OCC)cc1OCC 107675962 VNHUBYOOPWITHV-GFCCVEGCSA-N 280.795 4.654 30 10 CJEE CCCCCCCCCCNC(=O)c1cccnc1Cl 108418426 VFLSGOAVXHLRAY-UHFFFAOYSA-N 296.842 4.606 30 10 CJEE Cc1ccc(N(C)c2ccc(C#N)c(Cl)c2)c(C)c1 110257513 PWZSTFIVDPQDDG-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CCCCCCCCC1(CNCCOC)CCCCC1 110521274 VKAZNQXTZSMKSG-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C[C@H](C#N)CSc1ccccc1NCc1ccccc1 111188135 ZNMVCKNBOFCDNR-CQSZACIVSA-N 282.412 4.550 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccccc1Br 112882723 NHYGVODHAOJGJE-OAHLLOKOSA-N 298.268 4.984 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1cc2c(s1)CCCC2 129458396 JTBALSHDZUTHHM-CYBMUJFWSA-N 296.439 4.980 30 10 CJEE CCCCCCCCCCN1C[C@H]2CCCCN2C[C@@H]1C 129488831 YOEPYIUXEDAYLQ-RBUKOAKNSA-N 294.527 4.686 30 10 CJEE Cc1cc(Nc2cccc(Cl)c2C)ccc1C#N 133318506 FQNZAEZKIFJKGM-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1c(CN[C@@H](C)c2ccc(C#N)s2)oc2ccccc12 134953159 LNPHRQVYVJIBBR-LBPRGKRZSA-N 296.395 4.525 30 10 CJEE CCCCCCCC[C@H](O)c1ccncc1Cl 135383004 AOINZBQIYNNBGW-AWEZNQCLSA-N 255.789 4.519 30 10 CJEE CCCCCCCC[C@H](NCC)c1cncs1 147646774 ASRLKEXFLYFXKQ-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C=C(Br)CN[C@@H](CCCCC)c1ccccc1 161379118 GUVLBIAFTCRZQP-HNNXBMFYSA-N 296.252 4.806 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CC[C@H](C)O1 162283567 FILYFCFVKFZMDR-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CCCCCCCCOc1cc(NCC)nc(C2CC2)n1 163964890 CIPCZMBSJPCXQR-UHFFFAOYSA-N 291.439 4.525 30 10 CJEE Cc1cc(Nc2ccc(C(F)(F)F)c(C#N)c2)ccc1F 164459287 OBNIUEWSSPRIKV-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCCOc1cccc(NC(C)=O)c1 205443277 VJPJEAVRIGYTEP-UHFFFAOYSA-N 277.408 4.774 30 10 CJEE CCC[C@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)c1 211427719 VLCPOTXRSOLCFG-ZDUSSCGKSA-N 296.336 4.736 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(C#N)Nc1ccc(Cl)cc1 214721856 BDQSJRJFXGJNBG-HOTGVXAUSA-N 276.811 4.860 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(O)C1(C#N)CCCCCCC1 214851272 CPUQMFOFGSVNSY-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H]2CCC[C@@H](C)C2)C1 217941277 WKOQXPNCVHYZII-DISONHOPSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218321953 ZJZNXTLIRCYJDM-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2cccnc2c1 228957498 BELVRMIIQXKZRJ-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2cc(C#N)ccc2Cl)C1 235677106 UXNFDGUIRWIIFK-RISCZKNCSA-N 274.795 4.616 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(Cl)cc2C)c1 235920184 UTUBFLXKBYZJGO-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CCCCCCC[C@@]1(CNCC)C[C@H]2CC[C@H]1C2 250831795 RSCNUJCLINTRRB-ULQDDVLXSA-N 251.458 4.763 30 10 CJEE C[C@H]1C(=O)/C(=C\c2ccc(Cl)cc2)[C@H]2C[C@H]1C2(C)C 254558651 PXJGEAZXDDGPDF-HSRXZUQZSA-N 274.791 4.605 30 10 CJEE N#CCCc1cc2ccccc2n1C1CCCCC1 259971031 INVGEPFXXZTHEB-UHFFFAOYSA-N 252.361 4.603 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300107920 KVXFRXPSVYDYFJ-YDHLFZDLSA-N 288.522 4.932 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(C)c2)c(Cl)cc1F 311795852 GHLYXMXYGZIRCN-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE CCCCCCCCCCNCC(C)(C)COCC 312022504 VLJIHRXUPRCBSF-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE C=CCCCCCCNC1CC(c2ccccc2F)C1 312443282 NHEXXAJBQJOHNK-UHFFFAOYSA-N 275.411 4.798 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCOC[C@H]1C 312472935 BOBVCHSQSIABEY-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CC(C)C1CCC(C=O)(CCSC(F)(F)F)CC1 317596706 PPNCODCVQZZANE-UHFFFAOYSA-N 282.371 4.661 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317750180 RUWZLUKRSKEHRQ-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE N#CCCCCCNc1ccc(C(F)(F)F)cc1Cl 385190933 FIQYBJNQQPSZEW-UHFFFAOYSA-N 290.716 4.855 30 10 CJEE C=CCCCCCC1(CN)CCC(C(C)C)CC1 385411893 SLPQRJNWDMMKAJ-UHFFFAOYSA-N 251.458 4.914 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@H](C(C)(C)C)CCS1 386377707 RCOPVRMRHNOTBO-OLZOCXBDSA-N 284.513 4.698 30 10 CJEE C=C(COCCC)[C@@H](C[C@H](C)CC(C)(C)C)NCCC 387525016 LCLCTKJJOZBVIK-DOTOQJQBSA-N 283.500 4.800 30 10 CJEE CC(C)(C)[C@H]1CSC(=Nc2cccc3ccsc23)N1 393986763 ZHMVGVWDVWZRBX-GFCCVEGCSA-N 290.457 4.640 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](C)OCc1ccccc1 404468429 YEXTZSFNPZAGBB-FUHWJXTLSA-N 277.452 4.540 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@H](C)O[C@@H]1C 686465200 RLDKAVLJOKRNFM-RCCFBDPRSA-N 283.500 4.776 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2cccs2)C1 688314528 GKGMNAONYCICIJ-CYBMUJFWSA-N 277.433 4.528 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(C3CCC3)cc2)c1 690282171 IRCTWBPLDKUNAI-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)C1CCC(F)(F)CC1 690833372 WGMKBKMICLOJCH-SNVBAGLBSA-N 298.764 4.838 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC(C)=C[C@H](C)C1 692276216 VKTCFQPMTHSUGW-HPBDAGMYSA-N 261.453 4.703 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@@H]3C[C@@H]23)c1C#N 694314333 XASMADFMKCINGX-HZSPNIEDSA-N 286.444 4.518 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(C)c(F)c(C)c1 694931375 WXRIYGCRCGMRBP-MRXNPFEDSA-N 280.431 4.698 30 10 CJEE CCCN[C@H](C)c1ccc(S[C@@H](C)CCC#N)cc1 695911185 PZZFPGSTIADAQI-UONOGXRCSA-N 276.449 4.532 30 10 CJEE CCCCCCCCC[C@@H](CNCC)C1CCOCC1 696855608 XIMXZCALKQZPCD-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](C)Oc1ccccc1 700357319 UBEBBSKLAVIXLM-SJORKVTESA-N 277.452 4.793 30 10 CJEE FC1(F)CCCN(CCCCCCCCCS)CC1 702882638 XBUJNCHUYIUWFB-UHFFFAOYSA-N 293.467 4.768 30 10 CJEE CCCCCCCC[C@H](CCCOC(C)C)NCC 708376777 XWVWWKIKQLHKJO-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 710622397 PKLYIQPGRCTWQE-SOUVJXGZSA-N 269.860 4.714 30 10 CJEE CCCCCCCC[C@H](O)c1scnc1Cl 712869347 PBZKIAJZZZCKTK-JTQLQIEISA-N 261.818 4.581 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCC2)CS1)c1ccsc1 713195463 URLLMOFJSXWJBF-LBPRGKRZSA-N 294.489 4.595 30 10 CJEE CCCCCCCC1(CNC2CC2)CC(F)(F)C1 720348012 QSQPXEUGLVDCBG-UHFFFAOYSA-N 259.384 4.514 30 10 CJEE C=C1CCC(C[C@@H](CSC2CCCC2)NCC)CC1 724542887 AUVNZUDKVOMGQX-INIZCTEOSA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@@H]3C[C@@H]3C2)CC1 724605383 KPEQRSHODPGRCG-XMTFNYHQSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](N)C[C@@H](CC)C(C)(C)C)CC1 724607622 QIHWAJMKARASLV-CVEARBPZSA-N 251.458 4.913 30 10 CJEE N#Cc1c(C(F)F)cc(OC(F)(F)F)c2ccsc12 725291219 GFZUYRVTGAEMET-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE Cc1cc(-c2ccc(Cl)cc2Cl)nc(S)c1C#N 1088685772 ADDFKORGYXVJFY-UHFFFAOYSA-N 295.194 4.524 30 10 CJEE C=CCN(C(=O)C[C@@H](CC)C(C)(C)C)c1ccccc1 1124757925 YFGCLILEMOUXOC-OAHLLOKOSA-N 273.420 4.668 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(SC)s1 1142029268 UKDGTEZQJCPTLO-UHFFFAOYSA-N 289.469 4.658 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@@H](Cc3ccccc3)C2)C1 1178519117 LAEWKLPXXYHUIF-GTAWCEEGSA-N 283.459 4.732 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cnc(CC(C)C)s1 1179143123 SWOHGCRMMNXBSI-HOCLYGCPSA-N 292.492 4.566 30 10 CJEE C[C@@H](CCC#N)CN1CCCCC[C@@H]1c1ccccc1 1180168632 ADTXVHXBDXQFPI-FUHWJXTLSA-N 270.420 4.544 30 10 CJEE C=CCC1(NCc2coc3ccccc23)CCCCC1 1181786390 LDOBENXSMGGVAY-UHFFFAOYSA-N 269.388 4.801 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(Br)cnc1C 1181919409 CWFKGMKJOOTHGG-ZDUSSCGKSA-N 297.240 4.699 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C2CCCC2)C2CCC2)C1 1182543245 KFJQLRLHQOTULM-FHLIZLRMSA-N 261.453 4.680 30 10 CJEE C=CCC1(CN[C@H]2CC(C)(C)CC[C@@H]2C)CCCC1 1205788685 FMULPDWBFZUCJG-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CCN(C(=O)c1cc(C)c(-c2ccccc2)s1)C(C)C 1264407052 BLBFDWFSHJZAEV-UHFFFAOYSA-N 299.439 4.760 30 10 CJEE C=CCCC[C@H](C)NC[C@@H](C)CC1CCCCC1 1308345735 MVBSLITWZUJJRZ-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CCCNC1CCC(C2CCC2)CC1 1308510290 QILCOEIBSICUPV-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 1360804368 QJUHEVYGVGTLHZ-QGZVFWFLSA-N 285.431 4.651 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)cc1Cl 1435381783 DDLQNGVXXFYEMW-AWEZNQCLSA-N 287.186 4.639 30 10 CJEE CC(C)CCN(CCC#N)CCC1CCCCCC1 1459604803 AXSSXOZTXZHTFU-UHFFFAOYSA-N 264.457 4.609 30 10 CJEE C=CCC1(NC(=O)CC2CCC(C)(C)CC2)CCCCC1 1460095628 YXOIDCIMEDDKEO-UHFFFAOYSA-N 291.479 4.988 30 10 CJEE C=C[C@H](OC(=O)[C@H](SC)c1ccccc1)c1ccccc1 1461550908 RJQGBHWUIGFJIN-DLBZAZTESA-N 298.407 4.561 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 1467476427 ZQOUTNQZMYHYFK-AWEZNQCLSA-N 280.371 4.602 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](C)c3ccccc32)c1 1467478285 QBOBXWFLGMVKMD-CQSZACIVSA-N 292.382 4.875 30 10 CJEE C=CCCCN(C)c1ccc(OCc2ccccc2)cc1 1473389190 KSOJWTFURDDPHL-UHFFFAOYSA-N 281.399 4.668 30 10 CJEE CC[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)CC1 1474707354 UDMTWQBFWBGJHH-IIDMSEBBSA-N 270.420 4.568 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc2oc3ccccc3c2c1 1475824457 JELBBHKDZIXOHL-UHFFFAOYSA-N 294.354 4.674 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@@H](C)[C@@H]1C 1478752254 FYLLUWRDHQKAAI-SJORKVTESA-N 294.483 4.733 30 10 CJEE C=CCC(C)(C)CNC(=O)c1sccc1-c1ccccc1 1523517491 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CCCC[C@@](C#N)(CC)CC1CC2(C1)CC(OC)C2 2353629771 QPDLCILSBNJKPM-PYCMUAIMSA-N 263.425 4.692 30 10 CJEE CSc1cc(Oc2ccc(F)c(C)c2)ccc1C#N 2353826262 UOFSLJKSXAANPU-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCCC[C@@](C)(C(=O)O)N(CC(C)C)C(C)C 2353867032 HYRPMQPXMIBWFX-KRWDZBQOSA-N 285.472 4.557 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1C[C@H]2OC 2354398020 WAJHUOGPAASEOE-WNRNVDISSA-N 282.468 4.693 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@@H]2C(F)(F)F)CC1 2354447010 ZIWVDTISUCWELE-QLFBSQMISA-N 289.385 4.690 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](C)[C@@H](N)[C@H]1C 2360174302 FIZAFYWXOGPLHS-XMTFNYHQSA-N 282.516 4.573 30 10 CJEE C=CCC(CC=C)SCc1cc(C)cc(NCCC)n1 2360204051 WIDQOQPGCMTGFD-UHFFFAOYSA-N 290.476 4.966 30 10 CJEE Cc1ccc(OCCCSCc2cccc(C#N)c2)cc1 58239784 WEMMGSDMKDCWDF-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)O)c1C 59469374 YNUAJWWAZRRZRB-CYBMUJFWSA-N 277.408 4.854 30 10 CJEE Cc1ccc(/N=C/c2ccc(Br)s2)cc1C 59518734 IBGFVFSGIVOCFD-OVCLIPMQSA-N 294.217 4.878 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCO[C@H](C(C)C)C1 70357466 SSLHTCKJVTXXAM-HOCLYGCPSA-N 291.460 4.580 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(C)cc2)CC1 91881998 IHEFPHZDKZHAQU-IIIMJFFVSA-N 271.404 4.529 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C(F)(F)F)ccc1F 94594953 XPKDDCBXHIHSIP-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cc(Cl)ccc1OCCC 107583432 JULOZNWLSPHZFH-QWHCGFSZSA-N 264.796 4.892 30 10 CJEE CCCOc1cc(C)c(Cl)c(C)c1C[C@H](C)CS 107624421 YBNFKBWWJBXNBP-JTQLQIEISA-N 286.868 4.854 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1[C@H](C)CCS 107655670 GHTJCXNSJHRYSW-MRVPVSSYSA-N 279.232 4.816 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)ccc1C 109713925 PWERIEFTZGFGSP-MRXNPFEDSA-N 252.373 4.918 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(C)cc1)NC 109739773 MLCCXLPLWMGDMG-GOSISDBHSA-N 261.453 4.876 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCCC2=O 110304428 HPCZXYUPIIZZJT-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CCCCCCCC[C@@H](N)C1(c2ccccc2)CC1 110446684 PTSLDTSLNUWVON-QGZVFWFLSA-N 259.437 4.796 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NC)c(Cl)c1 112735233 GZWBZRGCMOBSEH-CYBMUJFWSA-N 283.843 4.970 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCc2ccccc2C1 116273205 UQAITEJGKWGXHO-OALUTQOASA-N 273.464 4.869 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@]1(C)CCCS1 122691507 FTVVMMCYMIOSJQ-HZPDHXFCSA-N 286.529 4.635 30 10 CJEE C=C(C)CC[C@@H](NCC)C1(CC(C)C)CCCC1 125652668 ISGZJPYLSDHQHS-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)C1 125707283 FIRXREXJQMBDKN-WCQYABFASA-N 262.784 4.592 30 10 CJEE CCC(CC)[C@H](C)Nc1cccc(SC)c1C#N 127057904 DQXJYRRVSYURES-NSHDSACASA-N 262.422 4.517 30 10 CJEE N#Cc1cc(F)c(Nc2ccc3ccccc3c2)c(F)c1 127441348 UPXLYGSTSRKHND-UHFFFAOYSA-N 280.277 4.733 30 10 CJEE C=CCCC[C@H](NC)c1cc2sccc2s1 128821994 PSAHYKMILNFCBZ-JTQLQIEISA-N 251.420 4.580 30 10 CJEE CCCCCCCCC1=CNC(=C2C=CC(=O)C=C2)C=C1 136497398 ITHVDYBOWIEQIJ-UHFFFAOYSA-N 283.415 4.730 30 10 CJEE CSc1cccc(N(C)c2ccc(C)cc2C)c1C#N 136654921 GUSVZZPGFYYETA-UHFFFAOYSA-N 282.412 4.665 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cnsn1 143454632 GTCHQTQKNRCBKG-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 155995250 PMVHUFYPLCXNPN-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CCCS1 160796903 UANYRLBNOMFSNI-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C)CC[C@@H]1CNCC(C)C 164932868 GEFLTGHKHADRBG-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 164941610 QMOWLNGFRAEUNI-BRWVUGGUSA-N 263.469 4.783 30 10 CJEE C=CCCC[C@@H](NCCC)c1sccc1CC 167725313 UZDCRWSFQVENNJ-CQSZACIVSA-N 251.439 4.708 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(C)c1F 168359271 GTYHGJRCRBAADK-HNNXBMFYSA-N 252.373 4.918 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cc(Cl)ccc1Cl 169126281 OWNJRXVMCHRTRY-VHSXEESVSA-N 258.192 4.609 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(C#N)cc2C)cc1 203513161 GFQYYIAJPOPLSI-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE Cc1cccc(C)c1C[C@]1(C#N)CCCc2ccccc21 215449255 WTNZQQLJEUNCNJ-FQEVSTJZSA-N 275.395 4.644 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](CC)CN 226415505 DBJATULVTCHICP-MRXNPFEDSA-N 269.473 4.851 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(F)F)cc2)C1 228398487 CECPUEWFVPZOAV-PVUWLOKVSA-N 293.357 4.768 30 10 CJEE C#C[C@H](CCC)N[C@H](c1ccccc1)C1CCCCC1 229920758 BGUDVSUAYYJJMP-RTBURBONSA-N 269.432 4.700 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C#N)c2ccccc12 232896898 DRCGJSXZUDSFFQ-ZDUSSCGKSA-N 266.388 4.948 30 10 CJEE CCCCCCCC(=O)[C@@H](C)C(=O)c1ccc(F)cc1 232933444 YTWJXEAQHISSLX-CYBMUJFWSA-N 278.367 4.574 30 10 CJEE CCCCCCCCCN(CCCC)C[C@H]1CCCN1 232937861 RTEGOZHCIJUCTM-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CCC[C@H](NCCC)c1scc(C)c1Cl 233122967 MWHQPKATYMLSPK-NSHDSACASA-N 257.830 4.717 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(C)c1Br 233162220 JPZDMZPGYSNBMV-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CCc1ccc([C@H](C)Nc2cccc(C)c2C#N)s1 234158375 YSYHLHDUWNSVNM-LBPRGKRZSA-N 270.401 4.664 30 10 CJEE Cc1cc(C)cc(CSc2ccc(C)cc2C#N)c1 235868283 RIVGPUUASZHJRU-UHFFFAOYSA-N 267.397 4.776 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CSc2ccccc21 236402534 UPFBDCXKFRUZGK-OAHLLOKOSA-N 272.413 4.726 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 250197539 QKTKFCYCSJHCLM-OWCLPIDISA-N 251.458 4.641 30 10 CJEE Cc1cc(C)c(C=Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 252460324 DMMIJJBYJQMQDW-UHFFFAOYSA-N 282.343 4.579 30 10 CJEE C[C@H](C#N)Cc1csc2cccc(C(F)(F)F)c12 260206768 YZOUDIKLCNWGSX-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE CCOc1cccc(CCCC#N)c1OCc1ccccc1 260538701 CXJFLGQFNJPWSX-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CC(C)c1ccc([C@H](C#N)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 311332291 IEQOKFIPBXQCMI-RUGDWHBFSA-N 253.389 4.853 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316834859 CXJOFAPIBLWNLP-BEFAXECRSA-N 272.432 4.922 30 10 CJEE C[C@H]1CC[C@@](CC#CC(C)(C)C)(CNC(C)(C)C)C1 317976465 HIKBDBCAFXRCAR-MAUKXSAKSA-N 263.469 4.621 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1ccc(OC(F)F)cc1 320051179 PYIQTHHZFRDFOR-MISXGVKJSA-N 267.319 4.577 30 10 CJEE C=CCC(C)(C)COCc1ccc(Br)cc1 378664802 IZKGYPAAAUQHKB-UHFFFAOYSA-N 283.209 4.568 30 10 CJEE C[C@@H](CC1(C#N)Cc2ccccc2C1)C1CCCCC1 380354677 ZHXMYSBPZCZRHC-HNNXBMFYSA-N 267.416 4.902 30 10 CJEE C=CCCCCCCN[C@H]1CCSc2ccccc21 388363796 GLWJSYRKZFDFGV-INIZCTEOSA-N 275.461 4.950 30 10 CJEE CCCCCCCCC[C@@H]1[C@H](NCCC)CO[C@@H]1C 405738625 OGPJGAUQOVWJQO-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=C(C)CCN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 510782272 RDQKWIFYEJFQTR-SFHVURJKSA-N 295.430 4.570 30 10 CJEE C#CCCCCCn1ccc2cc(OCCC)ccc21 686690520 ANGRLCBTVPEQSN-UHFFFAOYSA-N 269.388 4.624 30 10 CJEE C#CCCCCCC(=O)c1ccc2ccccc2c1 686692898 MUYBEXLSRCJLAF-UHFFFAOYSA-N 250.341 4.606 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H](CCC)CC(C)C 686696031 TUHVABWCSSJSHY-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCOC1(C)C 693171127 ZWJOVNXMNJTNJC-HOTGVXAUSA-N 270.457 4.693 30 10 CJEE N#Cc1c(Cl)cccc1NC1CCC(C2CCC2)CC1 695869029 ZZLYCFYLDSVLLR-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE CCCCCCCCOCc1ccc(C)c(C#N)c1 701860951 LSNUXZZKRMLXJX-UHFFFAOYSA-N 259.393 4.744 30 10 CJEE CCCCCCCNc1nc2ccccc2cc1C 703713092 GWOLVEXOIFIJJK-UHFFFAOYSA-N 256.393 4.926 30 10 CJEE CCCCCCCN[C@@H]1CCc2cc(Cl)ccc21 703764976 HCVABQKTLPIZJY-MRXNPFEDSA-N 265.828 4.887 30 10 CJEE C=CCSc1ccc(F)c(Cl)c1CNCC(C)C 706584120 DTYPWDIQLJPPLC-UHFFFAOYSA-N 287.831 4.503 30 10 CJEE C[C@](O)(C1(C#N)CCCCCCC1)[C@]12CCCC[C@@H]1C2 709198374 FXXAMFIVELWIFR-RYRKJORJSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC(=NO)C1 712759209 RJHMCJFXNLCAGK-MRXNPFEDSA-N 269.429 4.917 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C)c(Cl)c1 715767740 DOPRVBDRKZOZKU-BBRMVZONSA-N 265.828 4.901 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(F)cccc1Cl 715771075 RUCPXWXNKBGITO-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2ccc(F)cc2s1 715816674 YBEVEKPBILCWQG-BDJLRTHQSA-N 277.408 4.903 30 10 CJEE C=C(CC)C[C@H](NCCC)C1CCC(SC)CC1 720410936 QXQXDOFEAZNXOE-GPANFISMSA-N 269.498 4.633 30 10 CJEE C=C1CCC(CNCc2[nH]c3ccccc3c2Cl)CC1 724446413 IIENLUDSNRAEMH-UHFFFAOYSA-N 288.822 4.657 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H](C)Oc2cccc(Cl)c2)CC1 724567701 ZHXCNQQKPKZEOW-SUMWQHHRSA-N 294.822 4.605 30 10 CJEE C=C1CCC(C[C@H](NCC)c2sccc2C)CC1 724569275 GNOPSLKFEXQCLP-HNNXBMFYSA-N 263.450 4.844 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)C)CC[C@H]2CN)CC1 724617951 PRBPNJLXSODXAG-FGTMMUONSA-N 263.469 4.770 30 10 CJEE CCc1cccc(N=C2N[C@@H](C3CCCC3)CCS2)c1 725070921 OATJHXIPBFYWAI-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE Cc1cc(SC(F)(F)F)cc2scc(CC#N)c12 725314696 SIMOLHICAQCRGL-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCC[C@H](NCc1cscn1)c1cccc(Cl)c1 903087418 UAJJUDAWGNANQK-HNNXBMFYSA-N 292.835 4.594 30 10 CJEE C=CC1(CC(=O)N2CCC(C)(C3CC3)CC2)CCCCC1 1129488661 VWIBGFHGOGGZRD-UHFFFAOYSA-N 289.463 4.552 30 10 CJEE C=CCCCCC[C@H](C)Nc1cnn([C@@H](C)C2CC2)c1 1181126307 ZYNPRVKMEAUGED-GJZGRUSLSA-N 275.440 4.791 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@H]2CC3CCC2CC3)c(Cl)c1 1207703605 HTLGCCGJHONARR-HOJRLLLISA-N 287.834 4.948 30 10 CJEE C=CCC[C@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 1258732889 RUGKPKWXOIKESK-QWHCGFSZSA-N 251.801 4.688 30 10 CJEE C=CCC1(C(=O)Nc2cncc3ccccc23)CCCCC1 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CJEE COc1ccc(Cl)cc1[C@H](C#N)CCc1ccccc1 57696717 YSUZJSRZZCRRJF-AWEZNQCLSA-N 285.774 4.589 30 10 CJEE CC1CCC(CCNc2cc(Cl)ccc2C#N)CC1 70539983 HBUCTJVNCMGUEU-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC[C@@H]1CCCC[C@]1(C#N)Nc1ccccc1Cl 71162383 MEWXSFNBHHZFGK-IUODEOHRSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 71276514 LMTVDMSEYDWGST-QGZVFWFLSA-N 273.464 4.827 30 10 CJEE CCCc1oc(-c2ccccc2O[C@@H](C)CC)cc1C#N 77081289 ZLDULRDXMKPCHA-ZDUSSCGKSA-N 283.371 4.948 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1Cl 83193045 ZIWJGYMFFIYYGQ-RUDMXATFSA-N 274.722 4.684 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCOc2ccccc2OC)C1 88415893 NWPHRPZMTRFSRP-MAUKXSAKSA-N 287.403 4.574 30 10 CJEE N#CC1(Sc2ccc(Cl)cc2)CCCCC1 90244336 GUDMKQNRLHHDIO-UHFFFAOYSA-N 251.782 4.659 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)cc2Cl)CCCCCC1 91880771 DNQBKOQMLKJCAJ-CQSZACIVSA-N 298.213 4.891 30 10 CJEE CCC[C@H](CS)COc1ccccc1C(C)(C)C 94582460 LQKFBGKXPKLPOJ-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE CCC(C)(C)C1CCC(C#N)(N2CCCCCC2)CC1 109700150 OQSHIEUUIVRTQL-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CCCCCCCCCCN(CC)[C@@](C)(CC)CN 110107725 KMHKZLPWZBGXKB-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(OC)ccc1OC 115651078 ISVMUTJCXXKJPE-QGZVFWFLSA-N 294.435 4.878 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1cnn(C)c1 115689078 RHOLJBULZSXUBV-GOSISDBHSA-N 293.499 4.992 30 10 CJEE CCCCCCC[C@@H](N)Cc1cccc(C(F)(F)F)c1 116722714 OCCDCJYBCPKAFG-OAHLLOKOSA-N 287.369 4.936 30 10 CJEE CCC(CC)(CS)COC1CCC(C)(C)CC1 125888344 LYRDISNCXGTJFA-UHFFFAOYSA-N 258.471 4.708 30 10 CJEE Cc1cc(Cl)c(NCc2cc(C#N)cs2)cc1Cl 132099429 PVGQQASNSWJVNN-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@H](N)C1 133508173 LZNLNDLSKDQYNA-IRXDYDNUSA-N 269.473 4.540 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CCCCO1 134418578 FTDKNLCOZGJOCH-INIZCTEOSA-N 254.414 4.655 30 10 CJEE C[C@H](N[C@H](C)c1ccc(Cl)s1)c1ccc(C#N)s1 134711278 JDQNQVMVLUIUEE-DTWKUNHWSA-N 296.848 4.746 30 10 CJEE CSc1cccc(Nc2c(C)cccc2C)c1C#N 136614114 UPXWVTKOYUATFR-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CCCCCCCCCC(=O)c1ccc(C(=O)O)cc1 137476699 OMXAELCAMUYTTA-UHFFFAOYSA-N 276.376 4.708 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CC[C@H](C)O1 157906319 FBKIUHFVXQWHFR-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CCCCCCC[C@@H](NCC)C1(OC)CCCCC1 158419487 UZZJPVFVDFWSGC-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1cccc(F)c1 159090697 VXONDGAAFMWUDS-KRWDZBQOSA-N 265.416 4.836 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](CCC)OC 159792900 AWJMSVOKPSAPRN-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(Cl)cc1F 162817072 PGXFIIMMBLEEOJ-CQSZACIVSA-N 272.791 4.743 30 10 CJEE CSc1cccc(N[C@H](C)c2cccc(F)c2)c1C#N 167584769 GYBUXVCIGWQFGL-LLVKDONJSA-N 286.375 4.592 30 10 CJEE C[C@H](SCc1ccc(C#N)cc1)c1nc2ccccc2o1 183439565 GTLVJPKSQBMBPU-LBPRGKRZSA-N 294.379 4.694 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2cccc(C)c2)C1 222791997 PGPRSSVCZJIDQO-QRQLOZEOSA-N 284.447 4.535 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC2CCCCC2)C1 222797449 ZGGOVHWMTRUVDT-NXHRZFHOSA-N 276.468 4.607 30 10 CJEE CCCCCCCOc1ccc2c(c1)CC[C@H]2NCC 232413735 SHMBYVPTMMJGPV-GOSISDBHSA-N 275.436 4.633 30 10 CJEE CCC[C@@H](C)COCC(CS)(CCC)CCC 233271882 NOWXNDYHUJFGCL-CQSZACIVSA-N 260.487 4.956 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(F)c2ccccc12 233548805 KJEMMWFANRMNOQ-SFHVURJKSA-N 271.379 4.986 30 10 CJEE C[C@H]1C[C@H](OCCCCC(C)(C)C#N)CC[C@H]1C 235279241 UOIKPTUOCAQCLE-QLFBSQMISA-N 251.414 4.548 30 10 CJEE C=CCCCCCC(=O)c1ccc(Cl)c(C)c1 235740826 ZVHKQGZKGVNVCQ-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE C=CCCCCC[C@H](N)C1C2CC3CC(C2)CC1C3 236300973 BOEQMRLNIIVYJB-NFSPANSCSA-N 261.453 4.523 30 10 CJEE N#CC[C@H](c1c(Cl)ccc(Cl)c1F)C1CC1 260908713 XNZPTWKKJFTSDK-QMMMGPOBSA-N 258.123 4.540 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CCCC(F)(F)C1 302371720 NEYQSSJAMQHGLE-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CSc1cccc(N[C@@]2(C)CCCC[C@@H]2C)c1C#N 308728692 PCRJDDDRMFCKEE-LRDDRELGSA-N 274.433 4.661 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccc(F)cc1Cl 310123421 VNPXWBUMXARZNV-GWCFXTLKSA-N 253.748 4.768 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(F)cc(OC)c1 312315399 BLSYUEOAOFTGFS-KRWDZBQOSA-N 281.415 4.845 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCc2ccc(Cl)cc2)C1 316705300 BOBPSRAPIYZVGN-BBRMVZONSA-N 264.796 4.668 30 10 CJEE C=C(CNC(C)C)CSc1ccc(Cl)cc1Cl 322739472 ZUNFYWCQKTWHIH-UHFFFAOYSA-N 290.259 4.640 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(Cl)c(F)cc21 381771482 WNVWETIVJOTUOM-UHFFFAOYSA-N 298.814 4.720 30 10 CJEE C=CCCCCCCNC[C@@H]1CCCc2ccccc21 383835245 SUBQAQJIHYDHQX-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCCCCCC[C@]1(C)CC[C@@H](CNC(C)(C)C)O1 388436140 WREHSVKPJMFQGM-DOTOQJQBSA-N 269.473 4.673 30 10 CJEE CCCCCCC[C@H](COCc1ccccc1)NCCC 395521312 BJZKKDLYOZUZGO-LJQANCHMSA-N 291.479 4.932 30 10 CJEE CCCCCCCCCCNCc1cnc(C)cc1C 397095126 JYQIZVZYHZUWBW-UHFFFAOYSA-N 276.468 4.929 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](C)OCc1ccccc1 404459051 HKTYIWQVDLFCRF-IEBWSBKVSA-N 291.479 4.930 30 10 CJEE C=CCCCCC[C@@H](N)c1cscc1Br 404870271 XPMITVQXBZGRGQ-GFCCVEGCSA-N 288.254 4.647 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1ccccc1C(C)C 507825631 UKAJKXPCBNZCCZ-CQSZACIVSA-N 291.460 4.836 30 10 CJEE CCc1cc(OC(F)F)cc(C(F)F)c1C(F)(F)F 575653529 GAEYNBWYRGZOSN-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE C=C(C)C[C@H](C)c1nc(CSCc2ccccc2)no1 581969827 ZBEGYPHBKMCIMN-ZDUSSCGKSA-N 288.416 4.573 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(C)CC(F)(F)F 622864122 UTIUXYXAISVSLK-UHFFFAOYSA-N 299.336 4.722 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC 686691814 ULNAGLSBSCXZHA-KSZLIROESA-N 263.469 4.622 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C(C)(C)C)c1 691655266 VGRARLYGPWUEMD-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC2CCC1CC2)NN 691778279 RTDRUASPKINWJU-FOIPXRHGSA-N 280.500 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OC 692240642 QEQWFQHGMCRDNE-CZUORRHYSA-N 293.838 4.573 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cccc(Cl)c1[N+](=O)[O-] 692250485 FRWJNDBNCFVMFR-WCQYABFASA-N 294.782 4.795 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccnc(C(F)(F)F)c1 692254726 XPBDFWLNCKGXQR-WCQYABFASA-N 284.325 4.647 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]12CCCC[C@H]1C2 693269349 ZFRKZBYWQFRGPS-ULQDDVLXSA-N 266.473 4.539 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccccc1C(C)(C)C 695819840 VMUGKMSRABXBSL-ZDUSSCGKSA-N 259.393 4.691 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc(F)c(C(F)(F)F)c1 695862691 GDWUFJIUDTZHNZ-VIFPVBQESA-N 289.272 4.552 30 10 CJEE CCCCCCCCC[C@H](O)c1c(F)ccc(N)c1F 696702443 YTGYAWUIORJVHI-AWEZNQCLSA-N 285.378 4.721 30 10 CJEE CCCCCCCC[C@H](Cc1csc(C2CC2)n1)NC 698856316 HOIPVRZXOJFLJS-OAHLLOKOSA-N 294.508 4.902 30 10 CJEE CC1(C)CCN(c2cccc(Cl)c2C#N)CC(C)(C)C1 699699634 ZTIYVBIUOFZXIB-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE Cc1ccc(CNCCCCCCC(C)C)cc1C#N 701832489 VCRISJCTQZLZNC-UHFFFAOYSA-N 272.436 4.563 30 10 CJEE CCCCCCCCCC[C@@]1(CNCCOC)C[C@H]1C 703379132 YCGQPSOIMRBOBA-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](N)C(F)(F)F 705635890 DXJUFJMZTSZKBY-KGLIPLIRSA-N 297.405 4.548 30 10 CJEE CCCCCCCCn1c(C2CC2)cc(C(=O)O)c1C 707080903 GBTSAZFTLFMFOT-UHFFFAOYSA-N 277.408 4.733 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H](CC)c1ccccc1 710642320 AFKUQBUWEREOMY-HZPDHXFCSA-N 265.828 4.691 30 10 CJEE Cc1c(F)cccc1N=C1NC2(CCCCCC2)CS1 713206186 JBXYECSGSXKYNE-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(F)ccc1C(F)(F)F 715751820 FBFAPZAFIIBYSL-IINYFYTJSA-N 289.316 4.707 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@]1(C)CO 723035979 IFUFNNCUAWRHMC-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCCN[C@@H](CC)[C@H]1CCCOC1 724014752 OTECSUCARIEBIU-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@H](C)O[C@H](C)C1)NCC 724515556 BGIJDYRKIGMNJW-MHORFTMASA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ncccc2Cl)CC1 724574595 FDFBMSDOINWILB-INIZCTEOSA-N 292.854 4.912 30 10 CJEE N#CCc1c(C(F)F)c(OC(F)F)cc2ccsc12 725293517 CEEQLYLORBGZEH-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C=CCCCC(=O)Nc1ccc2c(c1)oc1ccccc12 1125072864 YWEZSYDQGLPZQC-UHFFFAOYSA-N 279.339 4.881 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc([C@H](C)CC)c1 1131214874 WFBYGRZMHPNUML-CYBMUJFWSA-N 259.393 4.741 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1132193702 VKHIORJHLYJJRG-BRWVUGGUSA-N 291.479 4.702 30 10 CJEE C=CCN(CC1CCCCC1)[C@H](C)c1cccc(C#N)c1 1167392034 RNIQGIJSPJCLEX-MRXNPFEDSA-N 282.431 4.688 30 10 CJEE C=C(C)CCN1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1167658432 GTCQHDKEWMDGBL-LLVKDONJSA-N 284.230 4.879 30 10 CJEE C=CCCCCN(C)[C@@H](C)c1nc2ccccc2s1 1167911199 CUKCTONTGPVRRV-ZDUSSCGKSA-N 274.433 4.645 30 10 CJEE C=C(C)[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1ccc(F)c(F)c1 1180954823 ZWCLLDGSTCUUTB-DQYPLSBCSA-N 293.401 4.996 30 10 CJEE C=C1CCC(CNCCc2ccc(C(C)(C)C)cc2)CC1 1183729365 ZBUGYAGGEJFRJS-UHFFFAOYSA-N 285.475 4.863 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccccc1C(F)(F)F 1192711583 YCZUCRKASLRWCS-AWEZNQCLSA-N 297.364 4.940 30 10 CJEE C=CCCCCN1C[C@H](C)CC[C@H]1c1ccccc1 1194221941 OHNLJWIVKZKWSR-AEFFLSMTSA-N 257.421 4.816 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cccc(C(C)C)c2)C1 1202059205 UPBYJRWLSNHDME-CRAIPNDOSA-N 257.421 4.644 30 10 CJEE C=CCCCC(=O)Nc1ccc2c(ccn2CC(C)C)c1 1264809764 UOAYAMPCHRAIMY-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE C=CCCCCCCNC(=O)C[C@H]1CCCCC1(C)C 1271936231 WLYDXWIHERVMPV-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=C(CC)CSc1ncc(-c2ccc(F)cc2)o1 1307285238 BHMCVNHHQBVCEW-UHFFFAOYSA-N 263.337 4.539 30 10 CJEE C=CCC1(C(=O)NC[C@@H](CC)CCCC)CCCCC1 1351567113 OAIWDKLZWHOQNO-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCN(C(=O)CC1CCC(c2ccccc2)CC1)C1CC1 1357799016 ORWNWXVCXYQFAT-UHFFFAOYSA-N 297.442 4.528 30 10 CJEE C=CC(C)(C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1457499102 WMXGYTGOPWWGAY-CHWSQXEVSA-N 293.838 4.503 30 10 CJEE C=CC[C@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)c1ccccc1 1460954865 NTTDRSFQEKISJC-AEFFLSMTSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](C)NC/C=C\c1cc(C)c(C)cc1C 1461392063 PQUWMNVOTLRPKS-FYGXRCCRSA-N 271.448 4.959 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 1462169141 WGGXOSYTLNTQON-PBHICJAKSA-N 295.854 4.752 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CC(C)(C)C[C@H]1C 1462333521 OMQFCHDAKWAFLJ-KBAYOESNSA-N 271.448 4.588 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)cc1F 1462503712 MKYNCYDYUSACSB-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H]2CCC[C@H](c3ccccc3)O2)C1 1473628080 ZPINCPVXXLGHBV-MISYRCLQSA-N 299.458 4.585 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1cccc(Cl)c1F 1473662332 IFFMWXCFERERER-UPJWGTAASA-N 279.786 4.723 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccsc1 1474623173 JWNYNFOFYDAXPK-USXIJHARSA-N 277.477 4.794 30 10 CJEE C=CCC(C)(C)C(=O)NCc1ccc(C(C)(C)CC)cc1 1520151647 YOGBPGZXDHDYQW-UHFFFAOYSA-N 287.447 4.593 30 10 CJEE C=CCCC1(CNC(=O)C(C)(C)c2ccccc2)CCCC1 1528534163 DOMXTIISHWJKTR-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 1536529856 LCHONTBAHRBCSP-ZWKOTPCHSA-N 299.458 4.821 30 10 CJEE C#Cc1ccc(NC(=O)C[C@H](C)CC(C)(C)C)c(Cl)c1 1539131273 MXPZSFIEEBRGGK-LBPRGKRZSA-N 291.822 4.722 30 10 CJEE C=CCCCN[C@H](C)c1ccc(F)c2ccccc12 1559880992 XODRGIIINWVOOK-CYBMUJFWSA-N 257.352 4.596 30 10 CJEE C=CCCCCC[C@H](C)Nc1cc2c(cc1C)OCO2 1560750181 VKYZYCUIIOGOOX-AWEZNQCLSA-N 275.392 4.661 30 10 CJEE C=CCC1(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)CCCC1 1560831855 VNYIKNPIVJNPCI-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CCC1(C(=O)NC2CCC(C3CCC3)CC2)CCCC1 1587771598 CRFFQVHLVZAEGN-UHFFFAOYSA-N 289.463 4.598 30 10 CJEE C=CCCCN(OC)[C@H](C)c1cccc(C(F)(F)F)c1 1620597338 RXFVHUDVMMBFRA-GFCCVEGCSA-N 287.325 4.596 30 10 CJEE C#Cc1ccc(NC[C@H]2C(C)=CCC[C@H]2C)c(Cl)c1 1621089486 JRKYMMSTUQWQBR-HIFRSBDPSA-N 273.807 4.726 30 10 CJEE C=C1CCC(CN[C@H](CCC)Cc2ccccc2)CC1 1621518041 VHAPEKUPBYVGSP-LJQANCHMSA-N 271.448 4.734 30 10 CJEE C=CCC(C)(C)CNC(=O)c1cc2ccc(C(C)C)cc2[nH]1 1636407082 KKRNGAZFZQADCE-UHFFFAOYSA-N 298.430 4.623 30 10 CJEE C=CCCCCn1nc(C)nc1-c1ccc2ccccc2c1 1640910079 QQNYHQWAJMDSLN-UHFFFAOYSA-N 291.398 4.763 30 10 CJEE C=CCCCCCN(C)Cc1ccc2nc(C)ccc2c1 1651931681 BVYAROZFJXVDRC-UHFFFAOYSA-N 282.431 4.721 30 10 CJEE C=CCC1(CNC[C@H]2CCCC(C)(C)C2)CCCC1 1656244475 UBYUSNWVRZSQTO-INIZCTEOSA-N 263.469 4.929 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C2CC2)C1 1658330509 OOFYFUZVMPYJNO-ZCNNSNEGSA-N 283.459 4.732 30 10 CJEE C#CCN(Cc1cccc(SCC)c1)C1CCCCC1 1658348108 JTLZWYCYXMLFLJ-UHFFFAOYSA-N 287.472 4.567 30 10 CJEE C=CCCC[C@H](NC1CC(C)(C)C1)c1ccccc1 1660593338 SHTMNBIWXYROIN-KRWDZBQOSA-N 257.421 4.862 30 10 CJEE C/C(=N\OCc1ccccc1Cl)c1ccc(Cl)cc1 1857936484 OPQLSWRKXQGSEU-WOJGMQOQSA-N 294.181 4.934 30 10 CJEE C=CCN(C(=O)CCC1CCCCC1)[C@@H]1CCCC[C@@H]1C 1860026763 ODQHKXKUXBOAFR-FUHWJXTLSA-N 291.479 4.940 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)CCNC 1879198283 KNKMZEISPPJFAJ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCC(CC)(CC)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1882186007 SFQWDNYKJUOHSB-OLZOCXBDSA-N 266.234 4.685 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CC[C@H](CC)CC1 1883440777 ACJORKPHLDFGBR-UAPYVXQJSA-N 271.448 4.891 30 10 CJEE CC#CCCCC[C@H](CSC1CCCC1)NCCC 1885237067 NJDKVHCKRMZKGD-MRXNPFEDSA-N 281.509 4.614 30 10 CJEE C=C1CCC(C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2NCCC)CC1 1888518781 MBSDJELKPVIYCD-XSLAGTTESA-N 261.453 4.537 30 10 CJEE CCC(C)(C)c1ccc(C#CCNCc2ccccc2)cc1 1914560857 HPXBMJDQQCKWAD-UHFFFAOYSA-N 291.438 4.516 30 10 CJEE CCCCCCC[C@](C)(O)c1cncc2ccccc12 1919872683 SUOIDYYUJQXXEA-SFHVURJKSA-N 271.404 4.803 30 10 CJEE C=C(Cl)C[C@@H](O)c1cscc1OCc1ccccc1 1934832343 OKTKANIZUAKPDY-CQSZACIVSA-N 294.803 4.503 30 10 CJEE C=CCC[C@H](C)[C@](C)(N)c1ccc(Cl)c(Cl)c1 1996481250 LXZMBGCOYYBVBL-HZMBPMFUSA-N 272.219 4.770 30 10 CJEE CCCCCCC[C@@H](N)c1cnc(C(C)C)s1 2004072162 CNTRKFHBJWGTEN-GFCCVEGCSA-N 254.443 4.627 30 10 CJEE CCCC1CCC(C[C@]2(C#N)CCCS2)CC1 2017744929 WDHVUHROYWLGHX-NRXISQOPSA-N 251.439 4.772 30 10 CJEE CCCCC#CCNc1ccc(Br)cc1CC 2024344856 MXMBBUWJABXPGF-UHFFFAOYSA-N 294.236 4.617 30 10 CJEE C=CCCCCCCCCC[C@H](N)CSCC 2026310491 QFLMITMQLKNART-HNNXBMFYSA-N 257.487 4.764 30 10 CJEE C=CCCCCCCNc1ccnc2ccsc12 2028525254 UIDYDSFLJJWOKB-UHFFFAOYSA-N 260.406 4.845 30 10 CJEE C=C([C@H](N)C1CC(C)(C)CC(C)(C)C1)C(C)(C)C 2035424583 GRNQYAMRKJATDS-AWEZNQCLSA-N 251.458 4.769 30 10 CJEE Cc1cc(NC[C@H](C#N)C(C)(C)C)c(C)cc1Cl 2036921031 BKCXHTZDQFQHSB-LBPRGKRZSA-N 264.800 4.555 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(Cl)cc1C 2040528151 ASLFNHVKCNTGMI-LRDDRELGSA-N 265.828 4.901 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CCC=CO1 2045619037 BKZYAIWVXNQSAL-CVEARBPZSA-N 253.430 4.537 30 10 CJEE C=CCC[C@H](NC)c1cccc(SC(F)(F)F)c1 2045691793 AQIZUQZMEYGGSX-LBPRGKRZSA-N 275.339 4.525 30 10 CJEE CCCC[C@](C#N)(CC)c1ccnc2ccsc12 2045992820 AVUZVZGJGKNDHN-HNNXBMFYSA-N 258.390 4.658 30 10 CJEE CCCC[C@](C)(C#N)C[C@H](OC)C1CCCCC1 2045995539 QLLWDALSVCUMJI-HOTGVXAUSA-N 251.414 4.692 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H](CN)C1(C)C 2053055743 XUPGDVMTHKNSJB-HOCLYGCPSA-N 257.437 4.840 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1cscc1C(F)(F)F 2053062414 BEKYOOBDYUFWAP-SKDRFNHKSA-N 277.355 4.630 30 10 CJEE CCCCCCCCCO[C@@](C)(CN)CC(C)C 2056160323 YHEMRYNGFYVAHA-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCCC 2076517902 XAQNZJVXPZQOGY-QAETUUGQSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@@H]2C(C)(C)C)C1 2079750360 PSWKYLPXLYVNKD-PNBKFKSVSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCNC[C@@H]1CCCCC1(C)C 2085845482 WYWOTTOSRSLLCO-INIZCTEOSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC(CC)CC 2091318681 VKKMRPWZYNUQQZ-DLBZAZTESA-N 271.489 4.642 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCC(C)C)NCCC 2092190310 OADWVTLTXLGRKR-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C(C)(C)C1CCCC1 2093222790 PLGVVLDQQITMMK-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC[C@H](N)c1ncc(C)[nH]1 2093528811 MSKFWEVFALSZSG-HNNXBMFYSA-N 265.445 4.639 30 10 CJEE CCC(CC)(CC)N=C1N[C@@]2(CCCC2(C)C)CS1 2094150077 ZJMDHVTVDUHWGC-INIZCTEOSA-N 282.497 4.597 30 10 CJEE CC1(COC[C@@H](CS)c2ccccc2)CCCCC1 2094442580 YHXYSHRGQIAYMJ-INIZCTEOSA-N 278.461 4.687 30 10 CJEE CCCCCCCCCC[C@H](CNC(C)(C)C)OC 2098523284 UFEHFNHIOXGHFE-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@](C)(O)c1ccnc(C(F)F)c1 2101150597 WWYHQUWURLIJFO-HNNXBMFYSA-N 271.351 4.587 30 10 CJEE C=C1CCC(N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 2101209305 KZNSAZBACMSQRC-RDTXWAMCSA-N 255.405 4.713 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(C2CC2)cc1 2102111699 OGXJGOHBDWNRLE-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1cc(Cl)cc(F)c1F 2102477711 SHCPGDNYUMYMTH-HZMBPMFUSA-N 285.765 4.625 30 10 CJEE C=C1C[C@@H]1CC1(CNC2CC2)CCC(CCC)CC1 2102477954 VPSVXYSTXLEMQB-UPTPFMHGSA-N 261.453 4.681 30 10 CJEE CCCCCCCCCCCCOCCCCNC 2102865509 ZJWPEBYISIKVPM-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@H]2CCC[C@H]2C(F)(F)F)CCS1 2103471438 RPCLYFOPAWBKON-LPWJVIDDSA-N 291.382 4.781 30 10 CJEE C[C@H](CC1=CCCCC1)Nc1cccc(Cl)c1C#N 2105123735 GYXCUKNRYZHJKT-GFCCVEGCSA-N 274.795 4.903 30 10 CJEE C=C[C@@H](NCCC)c1ccc(-c2ccccc2)cc1 2107995010 CRMDJKJGJCZNQR-GOSISDBHSA-N 251.373 4.580 30 10 CJEE Cc1cc(N(C)Cc2cc(C)c(Cl)s2)ccc1C#N 2109076606 LRJPRLYKEWADNH-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE N#C[C@]1(C[C@@H]2CSc3ccccc32)CCC12CCC2 2110492418 ONAPFODNMAMCNK-CXAGYDPISA-N 269.413 4.740 30 10 CJEE C=CC1(C[C@@H](NCC)c2ccc(CC)cc2)CCC1 2111720456 HSTKILFUYVYUFJ-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE C=CC1(C[C@H](NCCC)[C@]2(CC)CC2(F)F)CCC1 2111723383 UVAWVGWYORMQLB-ZFWWWQNUSA-N 271.395 4.536 30 10 CJEE C=CC1(CC[C@@H](NCC)c2ccc(F)cc2)CCC1 2113386346 BRZSSVWLSKIWJX-MRXNPFEDSA-N 261.384 4.613 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2csc(C(C)(C)C)n2)C1 2113527405 JTZWLJMKXOOCFP-BLLLJJGKSA-N 276.449 4.703 30 10 CJEE C=C1CC(C[C@H](CCCCCCCCCC)NN)C1 2125712829 ACBSMMZYYJFGGT-KRWDZBQOSA-N 266.473 4.705 30 10 CJEE CC[C@@](C#N)(c1ccc(C(F)(F)F)cc1F)C(C)C 2127916999 KMUPGDRMKWHNOP-ZDUSSCGKSA-N 273.273 4.672 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@@H]2C(F)(F)F)CC1 2128737468 HRYPHEKTARDZER-MBNYWOFBSA-N 276.342 4.751 30 10 CJEE CC1(C)CC[C@]1(C=O)C[C@H]1CCCc2ccccc21 2131985500 KAAKPQVAJPFVIU-CRAIPNDOSA-N 256.389 4.502 30 10 CJEE CCCCCCC[C@@H](C)NCc1csc(CCC)n1 2132264799 ACSWKGBCVJVSSE-CQSZACIVSA-N 282.497 4.934 30 10 CJEE CCc1ccc(C#N)c(Sc2ccc(F)cc2F)c1 2132311563 RDTCJGXUFPXPOF-UHFFFAOYSA-N 275.323 4.550 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@H]1CC12CC(F)(F)C2 2132941035 XEVKYBKWQFATAW-DOMZBBRYSA-N 267.363 4.922 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H]2C[C@H]2C2CCCC2)C1 2135636952 RYIXEAFMNZRMPS-BQFCYCMXSA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1cccc(C)c1C 2138342969 KQDFMNRGAXUTJS-GOSISDBHSA-N 262.437 4.957 30 10 CJEE CC(C)(C)C1CCC([C@H]2C[C@]2(C=O)C(F)(F)F)CC1 2138795084 NUKBAVBHPIOIOL-UAKHECDHSA-N 276.342 4.606 30 10 CJEE CCCCCC#CCSc1cccc([C@@H](C)NC)c1 2138955171 VVQCJICSUJOYND-OAHLLOKOSA-N 275.461 4.643 30 10 CJEE C=C(CNCc1cc2sccc2s1)c1ccccc1 2140594028 QASPNTUCOPIJMG-UHFFFAOYSA-N 285.437 4.766 30 10 CJEE C=CCCCCCCOc1c(C=O)cccc1CC 2141906481 VLHRPAMZIWYQLT-UHFFFAOYSA-N 260.377 4.577 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H](CC)COC 2142394396 PSYUPGLGPFXKCC-KRWDZBQOSA-N 269.473 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@@H](C)OCC 2142436636 WUPQYERZMZTDPK-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCC1(C)C 2142451616 YPSQTSARLCEFEB-CVEARBPZSA-N 266.473 4.561 30 10 CJEE CCCCCCCO[C@]1(C(=O)O)C[C@@H](C)CC(C)(C)C1 2143410996 RFRRPALHEGKQOG-WMLDXEAASA-N 284.440 4.643 30 10 CJEE CCCCCCCCCCN1CC[C@H](CCN)C[C@@H]1C 2148120916 BJUVWHMWRZVDMU-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CCCC(F)F)NC 2148428772 OAGUOFMWTUIYJN-LSDHHAIUSA-N 293.442 4.511 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)C1CC(C)(C)C1 2148585571 DFUGHANFKCYYHT-DLBZAZTESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CCCCCC(C)C)NC 2148626909 WWFQSMDUFWPDTJ-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE CCCCCCCCO[C@@H]1CC2(CCC2)CC[C@H]1NC 2149575471 BKFFBTNLJMEEKJ-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE O[C@H](CC#CC1CCCCC1)c1csc2ccccc12 2149850092 LGTNTRZLUYDVSN-QGZVFWFLSA-N 284.424 4.909 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)c1c(C)cccc1C 2149856470 YGWVFYCAUFWJMM-SFHVURJKSA-N 269.432 4.538 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCCC2)CC[C@H](C)C1 2149859367 WRAYKSCETWCJIX-HKUYNNGSSA-N 275.480 4.766 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1nn(C)cc1Cl 2150731697 IUIUTORLOOVNRU-OAHLLOKOSA-N 299.890 4.865 30 10 CJEE Cc1cc(C#N)cc(NCC(C)(C)C2CCCCC2)c1 2151441489 XENDABIGIGJAHO-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE C=C([C@H](Cc1ccc(F)cc1Cl)NCCC)C(C)(C)C 2152922757 BPOOYXDJWNVTPJ-INIZCTEOSA-N 297.845 4.992 30 10 CJEE C=C([C@H](NCC)[C@H]1CCCc2ccccc21)C(C)(C)C 2152926771 RDLRPCVGRIMYFO-ROUUACIJSA-N 271.448 4.687 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](N)CC)cc1C 2155022008 LZHVHZHZIWWWOW-KRWDZBQOSA-N 277.452 4.624 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2CCC[C@@]3(C2)CC3(F)F)CC1 2156149572 UGWQVZBIDHGKPV-OWCLPIDISA-N 283.406 4.666 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)[C@H]1CC[C@H](C)C1 2157926192 SEKVZRBOTVHEHZ-XLAORIBOSA-N 283.500 4.642 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)C1C2CC3CC(C2)CC1C3 2158323386 ITNOVPUCGUCPIP-HGHKKHINSA-N 275.480 4.639 30 10 CJEE CCCCCCCCCOC[C@@]1(C(C)(C)C)CCNC1 2160948219 IUEUOJOITZZZNJ-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCCC[C@H](N)C1CCNCC1 2164004546 RAFJCGUSJYLBMX-SFHVURJKSA-N 282.516 4.624 30 10 CJEE C=CCOc1ccc([C@@H](CCCC(C)(C)C)NC)cc1 2164058869 OBCPYLBCPCLTCR-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ncc(Cl)n1C 2164083029 HSBCWRYGLMDLTK-CQSZACIVSA-N 299.890 4.865 30 10 CJEE C=C([C@H](NCCC)c1c(Cl)cccc1OC)C(C)(C)C 2164201666 RXTREHUJTPZCGZ-INIZCTEOSA-N 295.854 4.992 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CC2(CCCC2)CO1 2166277534 CRAKWAGGYBJERX-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCCN(CCN)[C@H]1C[C@@H]1C 2167107895 ZPCPBPIAFLFGRZ-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1[C@H]2CCCC[C@H]21)NN 2167343591 FNKIDULVBVCYLD-ZJPYXAASSA-N 280.500 4.785 30 10 CJEE C=CC1(C[C@H](NCCC)c2ncoc2C(C)C)CCC1 2168028886 QQHILZJMPRHXMJ-AWEZNQCLSA-N 276.424 4.585 30 10 CJEE C=CC1(C[C@H](NCCC)C2CC[C@H]3C[C@@H]3CC2)CCC1 2168030164 CZXYHMCYNLSEFL-BZSNNMDCSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C(F)F)n[nH]1 2168507114 FYDMNTOMICKUPP-GFCCVEGCSA-N 287.398 4.749 30 10 CJEE CCCN[C@@H](CCC#CC(C)(C)C)c1cccc(C)c1 2169619407 UZJURMGNLYSLOW-SFHVURJKSA-N 271.448 4.865 30 10 CJEE CCCCCCCCCCN(CCCN)CC(C)(C)C 2170734359 FMHWOYWNVNOXDZ-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(OC(C)C)c1 2173290846 RWTMCBRKKASLKS-QAPCUYQASA-N 275.436 4.727 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)CCCCC12CCC2 2173684891 KPHAZPYCMDRDPC-HGTKMLMNSA-N 282.374 4.597 30 10 CJEE N#C[C@@]1(CC2CC(C3CC3)C2)CCCc2ccccc21 2176877989 IMHZEWFMPKKBRT-YVNUBYTISA-N 265.400 4.611 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1ccc2sccc2c1 2177218183 LEWYAYBUIYWFQA-SFHVURJKSA-N 287.472 4.882 30 10 CJEE CC(C)CC1(CN(C)c2cc(Cl)c(C#N)cc2F)CC1 2177390795 MJIZYOAOZHYGLA-UHFFFAOYSA-N 294.801 4.613 30 10 CJEE C[C@@H](C[C@@H](C)C(F)(F)F)N(C)CCCCC(C)(C)C#N 2177886595 NZMNIFKURCHHPW-OLZOCXBDSA-N 292.389 4.615 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC2(CCCC2)C1 2178837178 HDCKVEDCECHADZ-KRWDZBQOSA-N 282.468 4.981 30 10 CJEE C=CCCCC[C@@H](Cc1c(F)cccc1F)NCCC 2179677030 CDEZYAAZVJBMRE-AWEZNQCLSA-N 281.390 4.622 30 10 CJEE CCCCCCCCCCOC1CCC2(CC1)CNC2 2181085455 ILDURFUTUXNOQL-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@@H]2CC[C@H](C1)O2 2181491178 JOSPNWFQZBRFNK-BCDXTJNWSA-N 281.484 4.674 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)CC1 2181635162 CWQIFPSSANXKTC-NWHWRWDZSA-N 272.432 4.620 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ncoc2C(C)(C)C)CC1 2181648802 VFQKTCVWCRSVHC-LBPRGKRZSA-N 275.392 4.537 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)c1ccccn1 2182521553 XWVOHRNNTJFINV-CQSZACIVSA-N 284.428 4.923 30 10 CJEE C=C1CCC(CC(=O)C2CC3(C2)C(F)(F)C32CC2)CC1 2184061166 GCEDBBDHBQLAOF-UHFFFAOYSA-N 280.358 4.518 30 10 CJEE CO[C@H](C[C@]1(C#N)CCCC(F)(F)C1)C1CCCCC1 2184843516 DSXSBZCMPVQGMV-HUUCEWRRSA-N 285.378 4.691 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@H]2C[C@H]1C[C@]2(C)OC 2185286753 YRHMQJMPWNZZTP-OWSLCNJRSA-N 282.468 4.693 30 10 CJEE CC(C)(C)c1ccc(C#N)c(Nc2ccc(Cl)cc2)n1 2192042784 JMNFCTPJLBABAM-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)CC1CCC(CC)CC1 2193038004 GCWZXDFVUZQQPL-ZGUYJTEBSA-N 283.500 4.642 30 10 CJEE C=C1CCC(CN(C)[C@@H]2CCCc3nc(C)sc32)CC1 2195960136 RABFBSHUCWGXIU-MRXNPFEDSA-N 290.476 4.507 30 10 CJEE CCCCCCCN(C)[C@H]1CCC[C@@H](NCCC)CC1 2196690178 CSXBQKMKBAZCGR-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C#CC[C@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C 2196789984 RIQKLDHYDSFQCC-AWEZNQCLSA-N 271.404 4.531 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)c1cc(C)sc1C)C1CC1 2196847769 IAZNQRYGRITVED-WMZOPIPTSA-N 289.488 4.845 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2196849026 NYLFGDAXWLJAHJ-GOEBONIOSA-N 285.422 4.620 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cc2ccccc2s1 2196857046 WESMJQFPMOIILM-HOCLYGCPSA-N 285.456 4.992 30 10 CJEE C=C(c1ccccc1)[C@H](NC)C1CC2(CCCCC2)C1 2197138265 VGWPHHTYNPLIGE-SFHVURJKSA-N 269.432 4.648 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1ccccc1CC 2197140152 QAICAUDDTTUSIZ-LJQANCHMSA-N 265.400 4.613 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1c(C)cccc1C 2197147019 KSGKTWLXTVBOMV-LJQANCHMSA-N 265.400 4.667 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1C[C@@H]1C1CCCC1 2200041309 LPQDWGCBQBIBFZ-KZNAEPCWSA-N 275.480 4.621 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H]2C2CCCCCC2)CCC(F)(F)C1 2200392634 VOYPGARODLUESC-OAGGEKHMSA-N 284.390 4.988 30 10 CJEE Cc1ccc(C#N)c(N(C)Cc2cc3sccc3s2)c1 2205542202 ZRYBDXGBQMMQRW-UHFFFAOYSA-N 298.436 4.779 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H](C)Oc1ccccc1 2206898352 RHCARRGLINRLCM-FUHWJXTLSA-N 275.436 4.569 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H](C)[C@H](OC)C1 2207382708 VGAALJYNSCDPTH-QZTJIDSGSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1CCOC[C@@H]1C 2207397856 WINMGRWVALACAG-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@H](NN)C1CCC(C)CC1 2207433898 AZLQAOLLTKIWAD-DAWZGUTISA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@@H]1[C@H]2CCC[C@H]21 2207441312 HIABIWOYOWRJNU-XDNAFOTISA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H]1C[C@H]1CC)NCC 2207445688 QMYSZZMYBNSSLG-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H](C)CC(F)(F)F 2220082794 FDTDZTJJBVPKNS-OLZOCXBDSA-N 266.347 4.853 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CC[C@@H](SC)C1 2220098772 YAPZLVSBVDYUIW-JKSUJKDBSA-N 269.498 4.729 30 10 CJEE N#Cc1ccc(N[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Cl 2225294288 AZUSLCKEUHBWAY-JYAVWHMHSA-N 274.795 4.592 30 10 CJEE CCCC#C[C@H](NCC)C1CCC(CCCC)CC1 2225434725 UYZTVWDKEXGZES-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCC[C@@H](C)O1 2226893129 URVMAFOAUXBYLC-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCCCNCC1[C@@H]2CCCCC[C@@H]12 2227271124 IUGBZUKBGPIUIT-IAGOWNOFSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCN1CCCC(C)(C)[C@@H]1C#N 2227291010 MWNVNKZEBZYGIH-INIZCTEOSA-N 262.441 4.527 30 10 CJEE C=CCCCCCCCN(C)CCC[C@@H]1CC1(F)F 2227533688 VBFDCOHFNOKQCV-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228466954 AHOXSCWLZBOYNB-YVSFHVDLSA-N 282.493 4.653 30 10 CJEE CCCCCCCCCOc1sc(C(=O)O)cc1C 2230993390 FCPAJPYCZVBSSL-UHFFFAOYSA-N 284.421 4.884 30 10 CJEE CCCCCCCCCOC(=O)c1cc(Cl)ccn1 2231018437 INXFYRAIYFACSG-UHFFFAOYSA-N 283.799 4.642 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@H](O)[C@H]1C 2231025333 CZMFVRCQGNJEFI-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C=CC[C@@H](CC[C@H]1CCCC1(F)F)CNC1CCC1 2231527953 WFTOJJLTLVRIGR-UONOGXRCSA-N 271.395 4.536 30 10 CJEE C=C[C@](C)(CCCc1ccccc1)CN[C@@H](C)CC 2231539359 SPKCWYJVCHHIGY-FUHWJXTLSA-N 259.437 4.590 30 10 CJEE CCNc1cccc(C#Cc2cc(F)c(C)cc2Cl)c1 2232455566 NWFGSCMYUJXULG-UHFFFAOYSA-N 287.765 4.619 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1)C(C)(C)C 2233365683 DWBUYFXBNACVEQ-JQWIXIFHSA-N 295.785 4.728 30 10 CJEE C=C(F)C[C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652535 LQLNXEOAHNRBCT-APIJFGDWSA-N 289.385 4.690 30 10 CJEE C=CCCCCCCCCO[C@@H](C)[C@@H](C)CNC(C)C 2234057736 OIZPTHTXKVXIJP-ROUUACIJSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCNCCC1(COC)CCCC1 2235514092 QHIYDDKRTCBIAY-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCNCc1ccc2sncc2c1 2235524229 OAUIOGVYQCHNHT-UHFFFAOYSA-N 288.460 4.913 30 10 CJEE CSc1ccc(Oc2c(F)cc(C#N)cc2F)cc1C 2236020916 HEEHMHWYYGPAAD-UHFFFAOYSA-N 291.322 4.659 30 10 CJEE CCCC1CCC(C#N)(c2ccnc(C(C)C)c2)CC1 2236391744 USRKSTNLRLGOOJ-UHFFFAOYSA-N 270.420 4.957 30 10 CJEE C=CCCCCCC(=O)[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2238181814 UMUSITHDQBEYNI-QAPCUYQASA-N 280.452 4.659 30 10 CJEE CCCCCCCCCO[C@](CC)(C(=O)O)C1CCC1 2239513621 QNZYYDPORKGHNH-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1cccc2ccsc12 2239559571 RQPXAVVLHYRNQF-INIZCTEOSA-N 297.810 4.606 30 10 CJEE CCCCCCCC[C@]1(CN[C@@H](C)CC)CCCOC1 2240204451 TVOHUGZQBMLNRB-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CCCCCCCC[C@@H](O)C12CCC(OC)(CC1)C2 2240256808 AIXKJNOGJKWQOA-WWDZGPRUSA-N 280.452 4.613 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1ccc(C2CC2)cc1)NCCC 2240347303 NTNUHCJJMGLGMT-DNVCBOLYSA-N 271.448 4.687 30 10 CJEE CCCCCCCC[C@@H](C)NCCc1cccc(C)n1 2240641219 YMPPFVVROONLOA-MRXNPFEDSA-N 276.468 4.661 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)[C@@H](OC)C(F)(F)F 2240665654 FSNUSZUTKRAMIA-BFHYXJOUSA-N 297.405 4.681 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1(CS)CCCCCC1 2241068491 LCLQGHRBGGNXPB-IKGGRYGDSA-N 295.536 4.910 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cccc2ccoc12 2241200941 BHRWTDKRQZLOPA-DLBZAZTESA-N 271.360 4.576 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)s1 2251520992 XVNKWAHPYHRCLX-LLVKDONJSA-N 289.227 4.672 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@@H](C)Sc2sccc21 2259189985 IABYHHDXOCKVAM-DOMZBBRYSA-N 282.474 4.957 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)ccc(Cl)c1F 2259198234 HDOXTPLIVQRVAL-LBPRGKRZSA-N 273.754 4.755 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](CC)CCC)CC1 2259438814 RJZXUAVOCCHQDR-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE Cc1cc(NCc2cc(C#N)cs2)c(Cl)cc1Cl 2263199015 XQELUKPYNNITJY-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@H]1CNC1CC1 2263644062 CEDLJMPJKMUTQM-NVXWUHKLSA-N 251.458 4.905 30 10 CJEE C[C@H]1CC(C#N)(CC[C@H]2CCC[C@@H](C)C2)C[C@H](C)O1 2265060386 LUMXQQZUSCILBJ-FXUDXRNXSA-N 263.425 4.690 30 10 CJEE CC1CC2(C1)CC(C#N)(c1ccc(C(C)C)cc1)C2 2265293866 ZERNJCURGCXJBZ-UHFFFAOYSA-N 253.389 4.781 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1CCCC12CC2)NCC 2266586480 DBUDKGDYZSYKGN-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE N#Cc1cc(NCc2csc(C3CC3)c2)ccc1Cl 2267885776 DUFJLQQJAREFGZ-UHFFFAOYSA-N 288.803 4.763 30 10 CJEE CCC[C@](C)(CC=CC#CC(C)(C)C)CNC(C)C 2268734137 ZRJNKIVNLWLZGZ-GOSISDBHSA-N 263.469 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(F)c(Cl)c1 2268741478 HRCYTHRCFLSOAS-OAHLLOKOSA-N 280.770 4.508 30 10 CJEE CCCCCCCCCNC1(C(F)(F)F)CC=CC1 2272258338 GUJRBMQETQLTLL-UHFFFAOYSA-N 277.374 4.978 30 10 CJEE CCCCCCC[C@@](C)(CCC(C)C)OCC(=O)O 2274732083 ZDYCBNRNUPCYJX-INIZCTEOSA-N 272.429 4.643 30 10 CJEE C=C(C)[C@H](CCCCCCCCC)OCCC(=O)O 2274766083 LQQYRYYHIHVPSQ-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](CC(C)(C)C(C)C)OCCN 2276669703 LIZJNTLSAVRZBK-MRXNPFEDSA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@H](C)C(C)C 2277287850 PFYNFDMXMVXTTH-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CCCCC#CC[C@H](N)c1sc(C(F)(F)F)cc1C 2277694487 QQXZJIKYFZYEKG-NSHDSACASA-N 289.366 4.659 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1csc(C)c1C 2279095089 FMBGKKBIWYRREP-SJORKVTESA-N 297.508 4.866 30 10 CJEE Cc1cccc(NCC[C@@H]2CCCCC23CC3)c1C#N 2279750778 YRIWJUFPIAHOMP-HNNXBMFYSA-N 268.404 4.639 30 10 CJEE C[C@H]1CCC[C@@H](CCC2(C#N)Cc3ccccc3C2)C1 2279805377 HLGJSECBULKOIF-HOTGVXAUSA-N 267.416 4.902 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)CC[C@@H]1CCC[C@H](C)C1 2279843305 CZJMNHCOLUEFLH-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE N#C[C@H](c1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@H]1C2 2279873237 XGCBPOXZQRYLGE-ZAUBIYILSA-N 261.368 4.883 30 10 CJEE CC1(C)CCC(C)(CNc2c(F)cccc2C#N)CC1 2280483696 KHCGWHLQNXIRDM-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE CCCCCCCC[C@H](C#Cc1ccccc1F)NC 2281377670 MCMJHKHKQJMCRG-QGZVFWFLSA-N 275.411 4.516 30 10 CJEE Cc1nc(NC(C(C)(C)C)C(C)(C)C)c(Cl)cc1C#N 2281573916 QZWSPKNFCRRSJH-UHFFFAOYSA-N 293.842 4.788 30 10 CJEE CCc1cccc(F)c1NCc1ccc(C#N)cc1Cl 2283143633 FAVLLHLQAHSMBS-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@@H]1C(C)C 2284093415 YHMFAUBTKVPPIB-KZNAEPCWSA-N 275.480 4.643 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC(C)=C[C@@H](C)C1 2284095885 OUVUUGYSFWTMQG-BPQIPLTHSA-N 273.464 4.563 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)CCCCC[C@@H]1C[C@@H]1C 2284957482 LJTMCXKVBMZKTF-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(CC)NC1CC1 2287097025 RIYIXTJXRLOAPT-QGZVFWFLSA-N 294.508 4.671 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)CC1(C(C)(C)C)CCC1 2287681465 OYINCMRGTDRXCT-KRWDZBQOSA-N 281.484 4.530 30 10 CJEE C=CCCCN(C)CCCCCCCCCCCCO 2289423280 BPVJKEPXMJRQPK-UHFFFAOYSA-N 283.500 4.778 30 10 CJEE N#Cc1cccc(F)c1SC1CC2(C1)CC1(CCC1)C2 2289704359 NTQYRKUDALNJSI-UHFFFAOYSA-N 287.403 4.902 30 10 CJEE CC(C)(C)c1ccc([C@H](N)CC#CC2CCCC2)cc1 2289858676 DRCSFYMEHFACMR-GOSISDBHSA-N 269.432 4.568 30 10 CJEE CCCN[C@@H](CCC#CC1CCCC1)c1ccccc1 2289871044 VORHHDDKJNLAJO-IBGZPJMESA-N 269.432 4.701 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)c1ccoc1 2291630146 NVFUYVHYGYLRAH-HNNXBMFYSA-N 282.380 4.563 30 10 CJEE C=C(CC)C[C@](CC)(CC1CCCCC1)OCC(=O)O 2292143253 SOYURZPLLSRAJK-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C(C)C)OCC(=O)O 2292415662 YXHZTWWMKWHWQP-CVEARBPZSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H]1C=CCCC1 2293408423 REHPJYXLFBTHBW-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cc(C)ccc1C 2293673168 NNQTWLUBEQXSDM-GOSISDBHSA-N 277.452 4.680 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CC[C@@H](CC)C1 2293777439 XZMUMGNFOONWRN-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@H]1CCCCNC1 2295520460 RAHSOOHKCRFZQU-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nc2c(s1)CCC2 2295531172 IUTRKTOSTOSTSP-QGZVFWFLSA-N 294.508 4.946 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC[C@@H](CCN)C1 2295535194 ZUZBIMRQNIWLNS-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE Cc1ccc2[nH]c3c(c2c1)CCCC3=NC1CCCCC1 2297616999 OFRIEZHLORKXLQ-UHFFFAOYSA-N 280.415 4.934 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 2309149502 HDNSMJYOFIHRGS-WCXIOVBPSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@H]1[C@@H]2CCN[C@@H]2C1(C)C 2310061534 MBXOFEZSPSXPEH-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2C(C)(C)C)C1 2311590743 PSWKYLPXLYVNKD-DLTWYDFYSA-N 250.426 4.844 30 10 CJEE C=CCCCCCNc1cc(F)ccc1C(F)F 2316290333 FSPGXXDMFWCWRG-UHFFFAOYSA-N 257.299 4.922 30 10 CJEE C=C(C)CN(Cc1ccc(F)c(C)c1Cl)C(C)C 2317041106 WGVNBWUIEKZAQE-UHFFFAOYSA-N 269.791 4.574 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCC(C)(C)C2)C1 2319034285 KTIKKKOUSRJWRI-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(C)c2sccc2c1 2321099597 TXNGTIAEFSWVHK-ABAIWWIYSA-N 259.418 4.682 30 10 CJEE CC(C)Sc1cccc(C2=CC(=O)C[C@@H](C)C2)c1 2327781008 HESWTEHGSWOLMT-LBPRGKRZSA-N 260.402 4.570 30 10 CJEE CSc1ccc(C(=NOCc2ccccc2)C2CC2)cc1 2330389613 APMZPOWVBYBXHS-UHFFFAOYSA-N 297.423 4.739 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCCCC2)CC[C@H]1NC 2335096368 MBFALELWWSYQJO-XHSDSOJGSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC[C@@H]1NCCC 2335200422 LKUKKNPSVSJWAZ-IRXDYDNUSA-N 281.509 4.941 30 10 CJEE CCCCCCCCC[C@](C)(N)C#Cc1cccs1 2338324347 HWTNNOFCKGBZOU-KRWDZBQOSA-N 277.477 4.958 30 10 CJEE C=CCC(CC=C)[C@]1(CNCCC)CCC(F)(F)C1 2338730947 WDKQTJGOGRXMND-OAHLLOKOSA-N 271.395 4.560 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1 2338732811 MGBAHYBIHOYJRG-RCCFBDPRSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2338739758 YTGFCMKDMKVJPC-OKZBNKHCSA-N 261.453 4.559 30 10 CJEE CCCC#CC[C@@H](CCC1=CCCCC1)NCCC 2340211909 PXIWKCORZJNQSE-SFHVURJKSA-N 261.453 4.829 30 10 CJEE CCCCCCCCCNCc1ccc(COC)s1 2342243359 WCZKZOZKMCYMGP-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(F)c(C)c1Cl 2344346275 QYOSWDCCMDUPMZ-HOCLYGCPSA-N 283.818 4.650 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H](CC)CC(F)(F)F)NCCC 2344374511 IOTGWEPEYSBYPZ-BFHYXJOUSA-N 279.390 4.936 30 10 CJEE Cc1ccc(C)c(OCC2(CS)CC(C)(C)C2)c1C 2344989345 CCODSOKLDWHEBE-UHFFFAOYSA-N 278.461 4.727 30 10 CJEE Cc1c(Cl)ccc([C@@](C)(N)C#C[C@H]2CC2(C)C)c1Cl 2353218427 MLUJBKUIFWWIAF-ZBEGNZNMSA-N 296.241 4.525 30 10 CJEE CC(C)C[C@@H](CS)COCc1cccc(C(C)C)c1 2353835686 UONGLYDNQQKPNV-MRXNPFEDSA-N 280.477 4.919 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C1[C@H](C)[C@H]1C 2360117252 VMVPFLCBIZWDKQ-BRWVUGGUSA-N 281.484 4.539 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1ccc2ccccc2c1 2360206845 CDNSITLFAGNKQP-KDOFPFPSSA-N 285.456 4.798 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCCCC2)C1 35250462 MUGSMTQPBVJQIX-JFIYKMOQSA-N 290.495 4.996 30 10 CJEE CCCC1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 35256442 VJRRBXNTHYIHBV-KSTDHSDQSA-N 270.420 4.568 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccc(F)cc1Cl 37203234 DNAKBOCYOLSUKD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(Cl)c(Cl)c1 37935308 DDDXUCQGZSAEIR-CQSZACIVSA-N 277.154 4.670 30 10 CJEE COc1ccc([C@H]2CCCC[C@@H]2CC#N)cc1Cl 62661289 AFPQXLFPCVAUCW-YPMHNXCESA-N 263.768 4.536 30 10 CJEE CC(C)Cn1c(C2CCCCC2)nc2cc(C#N)ccc21 86637158 SGDLMSLZXMYRND-UHFFFAOYSA-N 281.403 4.612 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2C)CC1 86907939 KKPQNRVQXOHDGB-GDBMZVCRSA-N 256.393 4.638 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(Nc2ccccc2)CC1 86959596 TZJOSRVJHSXSBC-YJBOKZPZSA-N 270.420 4.987 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccccc2Br)C1 87930325 CSZMSEOXASDKRP-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(Br)cc2)C1 87930409 CAUWVTDASQDKFC-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 87930557 BBCBMBSUCQXKAB-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE C=CCC[C@@H](NCCC)C1CCC(CCC)CC1 87964613 JIZLJAAVUICBHR-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE Cc1ccccc1OCC1(CS)CCCCCC1 94582926 UGGVWZDPVKZTKZ-UHFFFAOYSA-N 264.434 4.644 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)c2ccccc2n1 97816718 POSHOQORWHABFV-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE CCCCCCCOCc1oc2ccccc2c1CNC 107345124 XCRDWFYRVGRLPQ-UHFFFAOYSA-N 289.419 4.639 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(Cl)c(OC)cc1OC 107675107 BLGBBXYHGPUWDJ-NEPJUHHUSA-N 280.795 4.510 30 10 CJEE CCCCCCCOCc1ccccc1CNCC(C)C 110170270 NRMSMCQIOVSOCQ-UHFFFAOYSA-N 291.479 4.919 30 10 CJEE CCCCCCCCOCc1ccoc1CNCCC 110171321 URGHTLDXJGJLAP-UHFFFAOYSA-N 281.440 4.656 30 10 CJEE CCc1cc(Oc2nc(C)cc(C)c2C#N)ccc1Cl 110262589 XBTNXXQCPKTUGY-UHFFFAOYSA-N 286.762 4.578 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1ccc2c(c1)CCCC2 110262905 ZXZNPZGFRBLVKK-UHFFFAOYSA-N 283.758 4.883 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NC)cc1Cl 110364905 ULIKIYHFUMCMPP-ZDUSSCGKSA-N 283.843 4.970 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCC)[C@@]1(C)CC 117341491 OKPKQKXPCUEPSM-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](O)CSc1ccc(F)cc1 117401947 LDGFBZHKYDKGRB-CQSZACIVSA-N 270.413 4.639 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1c(F)cccc1Cl 122241880 JTMLNQNLEINZMD-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE CCCCCCCCCCn1nc(CC)c(CO)c1CC 131187085 RXKBPMLPFFNPSU-UHFFFAOYSA-N 294.483 4.641 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCOC1)NCCC 136011710 MOQZQCUYNDLMBU-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnc(C)cn1 139441691 BAXOTKRAEYJXGI-KRWDZBQOSA-N 291.483 4.966 30 10 CJEE CC[C@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)CC1 156823890 FHMBJUAFNWXUHL-FUHWJXTLSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](C)(CC)OCC 159869018 SFUFDJJEZGUFPU-CVEARBPZSA-N 257.462 4.530 30 10 CJEE N#Cc1cc(F)cc(CSc2ccc(Cl)cc2)c1 163758995 XXUCEDYXCVNAOH-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=C(C)CC[C@@H](NCC)C1CCC(CCC)CC1 164619859 SVMXXSWTTGDLKM-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164693988 ZGKHIMJUKSPDCF-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CC(C)CC(C#N)(CC(C)C)Nc1ccccc1F 165900402 VRRHUOSQSZMIDQ-UHFFFAOYSA-N 262.372 4.592 30 10 CJEE CC#CCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 169080883 WAAVIWQIPDTTCN-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE Cc1cccc(/C=C\C(=O)c2ccc(C)c(C)c2)c1 216669769 CKZSMHXOHLJPQJ-NTMALXAHSA-N 250.341 4.508 30 10 CJEE CCCCCCCCCCNCc1cc(O)cc(F)c1 223140271 ICVHAVSLMYKHPY-UHFFFAOYSA-N 281.415 4.762 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCCC 227925901 BYNGQMPIDHZBGW-KZNAEPCWSA-N 263.469 4.622 30 10 CJEE C[C@H](CC1CCC1)Nc1ccc(C(F)(F)F)cc1C#N 229702379 RVTVBNWPBDGMMH-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@H](Cc1cc(Cl)ccc1F)NC 231221818 WPVLIXMMHWKKGY-OAHLLOKOSA-N 285.834 4.970 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cc(C)nc(C)c1 231667814 WXECLNAOLSHDAN-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCSCCN[C@H](C)c1cc(Cl)sc1Cl 231931362 CCCBPOXGNXXBFD-MRVPVSSYSA-N 296.288 4.625 30 10 CJEE C=CCCCCCC(=O)c1ccc(Br)s1 232458197 GWMVFPKTKPTKAP-UHFFFAOYSA-N 287.222 4.830 30 10 CJEE CCCCCCC[C@H](NCC)c1ccoc1CC 232931864 GZXMGWUIFQFZLA-HNNXBMFYSA-N 251.414 4.853 30 10 CJEE CCCCCCCOc1ccc2c(c1)C(=O)CCC2 232957788 SUIJJEOOHDBTAR-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CCC[C@H](Nc1ccc(C)cc1C#N)c1cccs1 233359486 MYJHNGOWILDVDU-HNNXBMFYSA-N 270.401 4.882 30 10 CJEE CSc1ccccc1OCCCCC(C)(C)C#N 235075864 PNSVMRSKIHZVHS-UHFFFAOYSA-N 263.406 4.507 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@@H]2[C@@H](C)C#N)cc1OC 251066853 XGLNHUZVWCMGLM-IMJJTQAJSA-N 287.403 4.527 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)C3=CC(=O)O[C@H]3C(C)(C)CC[C@@H]2C1 257435473 HJTIEBXNTWYKEY-AZFSHXRASA-N 288.431 4.657 30 10 CJEE biogenic N#CC1CCC(c2ccc(C(F)(F)F)cc2)CC1 260336370 GXTOPIJCLZWXGA-UHFFFAOYSA-N 253.267 4.503 30 10 CJEE CCC[C@](C#N)(Nc1ccccc1C)C1CCCC1 313410879 OHRQKZPSJOTXPY-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2nc(C(C)(C)C)cs2)C1 317267568 HDHSNHXXJVPMTR-GUYCJALGSA-N 293.476 4.769 30 10 CJEE CCCCCCCCCC[C@H](CN(CC)CC)NCC 327971665 GHCRXCCAEADWNG-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CC(C)C1CCC([C@@H](O)C2(C#N)CCCCCC2)CC1 380430550 ZVYKTHZHVFXNDX-OFLPRAFFSA-N 277.452 4.674 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCCC23CCCC3)cc1 380693416 MHRDMSMVNYVWAJ-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CCCCCCCCCCCCNC[C@@H](CC)OC 381817889 HGFLKJSVIRXNHD-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCC[C@@]1(C)CCC[C@@H](CNC(C)C)O1 382375216 NPCIVNAXVUQMOQ-IRXDYDNUSA-N 269.473 4.673 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CCCC(F)(F)C1 384888583 SSJMTQBRDZUMJI-MCIONIFRSA-N 255.352 4.922 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@@](C)(CNC(C)C)O1 388452774 AUMWMWXSXXJOIR-IRXDYDNUSA-N 269.473 4.673 30 10 CJEE ClC(=NC(Cl)=C(Cl)Cl)c1ccccc1 394627528 XFEMXTRINYBLTD-UHFFFAOYSA-N 268.958 4.515 30 10 CJEE CC1([C@@H](O)C2(C#N)CCCCCC2)CCCCCC1 394679884 XSAFUEQFFSIAQC-OAHLLOKOSA-N 263.425 4.572 30 10 CJEE N#CCc1cc(Cl)c2scc(C(F)F)c2c1 396188289 KBZAGVGYEGICIJ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CC[C@@H](CNCCC)C[C@H](CC)CC(F)(F)F 402552458 GPUFQQWAFRRONC-QWHCGFSZSA-N 265.363 4.547 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2s1 466648637 VOUXVJJPIRJCOC-QWHCGFSZSA-N 287.428 4.681 30 10 CJEE C=C(C)C[C@H](C)c1nc(C2(c3ccccc3)CCC2)no1 561905275 OHRRXACDPDIKPR-AWEZNQCLSA-N 282.387 4.609 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2nccs2)C1 651693857 GTNPDFJKBIAUEX-HYVNUMGLSA-N 298.455 4.567 30 10 CJEE C#CCCCCCNc1cccc(-c2ccccc2)c1 686684995 SQKLJPQYQDZURS-UHFFFAOYSA-N 263.384 4.959 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H](C)CC(C)(C)C 686691940 XHCFGESETJYVTP-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE CC1(C)CC(CN[C@H]2CCCC[C@H]2C#N)CC(C)(C)C1 699428512 ISBDPCFIOCSYFT-HOTGVXAUSA-N 276.468 4.511 30 10 CJEE C=CCCCCCCNC1C(C)(C)CCC1(C)C 699628460 YYZYOUGREQRTMU-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=C([C@@H](NCCC)[C@@H](C)CC(C)(C)C)C(F)(F)F 708257660 ZBVVUFPWWIHNBN-JQWIXIFHSA-N 265.363 4.545 30 10 CJEE C[C@@H](CCS)CCN1CCC(C2CCCCC2)CC1 708822076 JNJFGVLIHRVNHX-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE Cc1c(Cl)cc(NC[C@H](C#N)C(C)C)cc1Cl 709704992 HACCPOVYMYEHQR-JTQLQIEISA-N 271.191 4.510 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 710622396 PKLYIQPGRCTWQE-RRFJBIMHSA-N 269.860 4.714 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 710646186 SBZRORJTUICHHZ-IACUBPJLSA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)s1 710664230 OSENQKCINOMGDP-SECBINFHSA-N 264.221 4.585 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714397585 SQWJUGDJJKTLHT-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C=C([C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(F)(F)F 714435879 GASZQXHDLDKPCE-TUVASFSCSA-N 289.385 4.690 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716637124 OQRDDTASGZZOSK-NXOAAHMSSA-N 251.458 4.619 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ncc(CC)[nH]1 719119336 VDQRBGRQCQNNET-OAHLLOKOSA-N 266.429 4.536 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(C)CC(F)(F)C1 720439636 KVWLOIWODHOMAE-CQSZACIVSA-N 290.442 4.785 30 10 CJEE CCSc1cccc(N2CCCC2(CC)CC)c1C#N 721241140 UNJFKFGCKPIYMP-UHFFFAOYSA-N 288.460 4.829 30 10 CJEE CCCCCCCCC[C@H](O)C1C[C@H](C)O[C@@H](C)C1 724231188 SYXBBWWVXQONCV-ZOBUZTSGSA-N 270.457 4.692 30 10 CJEE C=C1CCC(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 724440984 PCKVDQKOKIRJDA-GJZGRUSLSA-N 289.385 4.691 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc3ccccc3o2)CC1 724547612 QVWXMMYYGFJQKX-OAHLLOKOSA-N 256.345 4.603 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(SC)cc2)CC1 724550283 VOXUNTAUNJGFSH-INIZCTEOSA-N 261.434 4.545 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2CCCc3ccccc32)CC1 724550598 UCDLYRCSJVPIRO-MOPGFXCFSA-N 269.432 4.570 30 10 CJEE CSc1c(CC#N)cc(C(F)(F)F)c2sccc12 725316301 PGPFELYAJQFFKT-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE N#Cc1c(C(F)(F)F)cc2ccsc2c1C(F)(F)F 725324846 VBEMOIJIGXTMPS-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE CCc1cccc2ccn([C@@H](C)CC(C)(C)C#N)c12 829178092 BCXQVIWQFPGNNQ-ZDUSSCGKSA-N 254.377 4.705 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 1124742817 ZWIXQNISRLNQFJ-CQSZACIVSA-N 279.811 4.510 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1oc2ccccc2c1CC 1134514541 BQESLDCUZVXFSH-AWEZNQCLSA-N 297.398 4.566 30 10 CJEE C=C(C)CCN(C1CCCC1)[C@@H](C)c1ccccc1 1170104122 FCPHQEVJIQJPNM-INIZCTEOSA-N 257.421 4.958 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccccc1C(F)(F)F 1176771697 RCHMFICPASLBOK-AWEZNQCLSA-N 283.337 4.636 30 10 CJEE CC#CCSC(c1ccccc1)c1ccccc1 1187986921 IRUMUIJJGUKVNN-UHFFFAOYSA-N 252.382 4.533 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1cccc(C)c1 1190457200 JCDCIBUVIMVQMN-QGZVFWFLSA-N 295.426 4.753 30 10 CJEE C=CCCCN[C@@H](CC1CCCC1)c1ccccc1 1192802586 MRHBHNGXXUZUIY-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(OC(C)(C)C)c1 1203339213 NANIWEPIDJDLOJ-UHFFFAOYSA-N 289.463 4.946 30 10 CJEE C#CCC(C)(C)C(=O)Oc1ccc2oc3ccccc3c2c1 1264177379 NGJGBTLDEOLWHP-UHFFFAOYSA-N 292.334 4.541 30 10 CJEE C=CC(C)(C)C(=O)NCc1ccc(C2CCCCC2)cc1 1273762580 ANHJKBDHGLHZHU-UHFFFAOYSA-N 285.431 4.563 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCCC[C@H]2CCC)c1 1308245054 UABJPGXJFFZMAG-MJGOQNOKSA-N 287.447 4.700 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C2CC2)cc1 1310487592 KJJATZVCEGBXQN-WMZOPIPTSA-N 298.430 4.820 30 10 CJEE CC#CCCCC(=O)Nc1ccc2c(c1)oc1ccccc12 1355051354 TYZPUGWQFSHDJJ-UHFFFAOYSA-N 291.350 4.718 30 10 CJEE C=CCCC(C)(C)CNC(=O)CC[C@@H](C)c1ccccc1 1438257023 CIVJXLMZUGNTHX-MRXNPFEDSA-N 287.447 4.679 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc2ccc(C)cc2c1 1439844760 JKEVPPVMHBKRAO-SFHVURJKSA-N 268.356 4.656 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(CC)C[C@H](CC)c1ccccc1 1459231446 VZVMFOKXCQOSBC-LPHOPBHVSA-N 287.447 4.631 30 10 CJEE CCCCCCCN(CC1CCC1)CC(F)(F)F 1459554082 IVOLHRABUFZWFH-UHFFFAOYSA-N 265.363 4.621 30 10 CJEE C=CCC[C@H](C)NCc1ccc(C)c2ccccc12 1462350564 YUAWYAQNXAWPHB-HNNXBMFYSA-N 253.389 4.593 30 10 CJEE CCCCCCC[C@@H](C)NCC1CCC(F)CC1 1462399333 HUKANVJMCNAPGE-QQFBHYJXSA-N 257.437 4.853 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)Cc2cccc(F)c2)c1 1462642299 FBJKPJNVFJTLOY-AWEZNQCLSA-N 269.363 4.902 30 10 CJEE C=CC[C@@H]1CCCN(CCc2cccc(Cl)c2Cl)C1 1473627987 WQUHOQQNJSZMBM-CYBMUJFWSA-N 298.257 4.824 30 10 CJEE C=CCC1(NCc2ccccc2CF)CCCCC1 1473719378 HZVODSRRPPYWHL-UHFFFAOYSA-N 261.384 4.525 30 10 CJEE C=CCCC1(CN[C@@H]2CCC[C@@H](SC)C2)CCCC1 1474207806 GJRPJRKFNDSIDW-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=CC(C)(C)CCCNCc1ccc2cc(OC)ccc2c1 1474256493 ONWKWRSDQJJUOP-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C#CCCCCCC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1518079123 GPDJBWKUVGXRNL-RTBURBONSA-N 298.426 4.758 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(C)sc1C)c1ccccc1 1526451554 GEFVYKMSPFDCHI-KRWDZBQOSA-N 299.439 4.802 30 10 CJEE C=CCCCC(=O)N(c1ccccc1)c1cccc(OC)c1 1526709990 LYQOHGFTTQPGTD-UHFFFAOYSA-N 295.382 4.716 30 10 CJEE C=CCC(CC=C)C(=O)N(CC(C)(C)C)c1ccccc1 1529543181 GCWNLYKHOLQKTM-UHFFFAOYSA-N 285.431 4.834 30 10 CJEE C=CCCCCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 1530006137 YRIRIOUTYOXGEV-INIZCTEOSA-N 287.447 4.776 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](C(C)(C)C)C2)CCCCC1 1530314674 UPJOTKCHLSTSHD-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE C#CCCCCC(=O)Nc1ccccc1-c1ccc(C)s1 1531873268 MGYJVBOGHXVCTJ-UHFFFAOYSA-N 297.423 4.856 30 10 CJEE C=CCCCCCCCCNC(=O)C=C1CCCCC1 1545005722 COYSWEGVULSXCW-UHFFFAOYSA-N 277.452 4.910 30 10 CJEE C=CCC1(NC(=O)/C(F)=C\C2CCCCC2)CCCCC1 1556622380 VFNPBGXOHOWTSM-JQIJEIRASA-N 293.426 4.815 30 10 CJEE C=CCOc1ccc(CNC(C)(C)CCC)cc1Cl 1560314017 GUGZEVICEYMFCP-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1ccccc1OC 1560975992 DJHXNCYPZSEKDE-CVEARBPZSA-N 275.436 4.871 30 10 CJEE Fc1ccc(C#Cc2ccc(F)c(Cl)c2)c(Cl)c1 1614827189 OZEIDRDCJDWWJO-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCCCN(CCC)Cc1ccccc1Br 1641617247 DTSJIFAOKGZTIZ-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE C=CCN(CCCCc1cccc(Cl)c1)C(C)C 1644434759 SMACLHBZPFEBDE-UHFFFAOYSA-N 265.828 4.559 30 10 CJEE C=CCCCN1CCCCC[C@@H]1c1cccc(C)c1 1644669600 QIYHKPRGGSNNOU-GOSISDBHSA-N 257.421 4.878 30 10 CJEE C#CCCCCCCN1c2ccccc2SC[C@H]1C 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C[C@H](C1CCCCC1)N(C)C[C@H](C#N)C1CCCCC1 2168434734 XDSOFZQANBTAOJ-QAPCUYQASA-N 276.468 4.607 30 10 CJEE CC(C)(C)c1nc(CC2(C=O)CCCCCCC2)cs1 2169854601 UNJUGSJLHANOBF-UHFFFAOYSA-N 293.476 4.913 30 10 CJEE CCC(CC)(CS)CN1CCCC[C@H]1c1ccc(C)o1 2171746794 NZFPBRSEGVVORG-HNNXBMFYSA-N 295.492 4.851 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(OC2CCC2)cc1 2173114944 LVSHDZSPXDURHA-SFHVURJKSA-N 273.420 4.625 30 10 CJEE C#CCCCC[C@@]1(CNC(C)C)CCCCC12CCC2 2173591549 ZMGHFXPHSGGMNP-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CC[C@@](O)(C1CCCCC1)[C@@]1(C#N)CCCCC12CC2 2173613536 XGKDNNAPYKUWOL-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE Cc1cc([C@H](O)[C@@]2(C#N)CCCCC23CCC3)c(C)s1 2173627482 XQNXAWOKGCKKQY-RDJZCZTQSA-N 289.444 4.653 30 10 CJEE C(#CC1CCCCC1)CNC[C@@H]1CCCCC12CCC2 2173702139 MBEPNMGRBURWPR-SFHVURJKSA-N 273.464 4.520 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@](C)(F)CC[C@@H]1NCC 2174207975 VQQSTEYOYPSLGF-BBWFWOEESA-N 287.463 4.622 30 10 CJEE CC(C)[C@]12CC[C@@H](Nc3cc(Cl)c(C#N)cc3F)[C@@H]1C2 2179082074 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CC#CCCCC[C@@H]1CC(C)(C)CC[C@H]1CNC1CC1 2196173738 GVBPEVFDDHNSPU-SJORKVTESA-N 275.480 4.765 30 10 CJEE CC#CCCCC[C@](C)(O)c1cccc2ccccc12 2196174543 OOWDUVCWUAVJMF-IBGZPJMESA-N 266.384 4.631 30 10 CJEE C=C1CCC(C[C@]2(O)CC[C@@H](C)c3ccccc32)CC1 2196504138 OHHLTXSIFUYWQL-DNVCBOLYSA-N 270.416 4.908 30 10 CJEE CCCCCCCN(C)c1ccc(C[C@@H](C)N)cc1Cl 2196704467 OCEMGBCIMNSXOD-CQSZACIVSA-N 296.886 4.636 30 10 CJEE C#CC[C@@H](C[C@@](C)(O)C1CCC(C(C)C)CC1)C1CC1 2196730957 CHPSIHPTWYHDOQ-VWPHEMMRSA-N 276.464 4.639 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 2196854073 LOZFVOSYQAQYLV-CADBVGFASA-N 277.496 4.868 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@H]1CCCC1(F)F 2197154748 KMWLOFZNNJDJFJ-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE N#Cc1ccc(NC[C@H]2C[C@H]2C2CCCCC2)cc1Cl 2200147090 MIQBHGMWKCGMOW-ZBFHGGJFSA-N 288.822 4.840 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)[C@@H]1C[C@H]1CCC 2200469002 YPHIIWXNHDFDDB-JFIYKMOQSA-N 282.468 4.883 30 10 CJEE CC(C)(C#N)c1ccc(NC[C@H]2C[C@H]2C(C)(C)C)cc1 2200591646 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C=CCCCCCCC(=O)[C@]1(O)CCC12CCCCC2 2206898700 INODKWJINQFLGD-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCC[C@@H](O)CCc1ccc(OC)cc1 2206899695 MPTRWFLQHORNID-QGZVFWFLSA-N 276.420 4.515 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)C=CC[C@@H](C)C1 2207374700 CXKHNSFONUJVBH-AEFFLSMTSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(O)CS[C@@H](C)C1 2207378588 UJINWGWZNAFIQW-RDJZCZTQSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@](C)(N)[C@H]1CCCCO1 2207427323 LQNVBQFQTAFGHV-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@]1(C)CCCO1 2207434946 FRIPNZVPONRUKG-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H](OCC)C1CC1 2207435419 HMCPFYKQUPLMFQ-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCO[C@@]1(CN)CCC[C@H]1C 2207446087 DNTFDLSWDKZWHI-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCN[C@@](C#N)(CSCCC(C)C)C1CCCCC1 2208110417 GPHSPWCWGOGMJS-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(Cl)ns1 2214616899 DDSJJKSVJFIKFT-NSHDSACASA-N 273.829 4.747 30 10 CJEE C=CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2218643725 RHVCDKBDJLCCTF-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE CC#CCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2221969764 UVKPDSTYSQBPMT-OAHLLOKOSA-N 285.214 4.785 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1C[C@H]2C[C@H]2C1 2223833457 HFXBOBGLLKLMTP-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE CC1(C)C[C@@](C=O)(CCCCCCC2CC2)CCO1 2225790671 XNTWOIYLVIRGCE-QGZVFWFLSA-N 266.425 4.511 30 10 CJEE C=CCCCCCCC[C@]1(N)CS[C@H](C(F)(F)F)C1 2227271365 KYXNKCDGRYEGCH-QWHCGFSZSA-N 295.414 4.668 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CCC[C@H]2C[C@@H]21 2227280406 NFYXRLQOXQPZPO-BZSNNMDCSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)c1ccccc1F 2227517329 JCQSQZBCIUQSNR-LJQANCHMSA-N 283.412 4.758 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H]1C 2227867668 LTXDKDVGUDOZJG-ULQDDVLXSA-N 266.473 4.561 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCCN[C@H]1C 2231008404 IMRXGCCESDNFKU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCO[C@@H]1CC(=O)C12CCCC2 2231026345 HUWAQDBBHKCARQ-MRXNPFEDSA-N 266.425 4.655 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@@H](CC)CC(F)(F)F 2231486528 KSIRGPIADUFADA-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@](C)(CN)CCCC 2231905288 GUENATGWXFYWSH-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)CC[C@H](C)NCCC 2231907073 NUIMDCYJMAZWQB-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)c1nc(C2CC2)cs1 2231910563 BYUTUHVOLKXKQW-INIZCTEOSA-N 281.465 4.979 30 10 CJEE C=CCCC[C@H](CC1CC(OC(C)(C)C)C1)NCCC 2232959415 LYFLDWJHKDWIGK-AQFXKWCLSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCCC(=O)CC[C@H]1CCC[C@@H](N)C1 2235534380 HBAYJFSSDARKMJ-IAGOWNOFSA-N 279.468 4.770 30 10 CJEE CCCCCCCCCC[C@H](C#CCOC)NCCC 2235925214 MCRIDRDLYJGGJY-GOSISDBHSA-N 281.484 4.535 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC[C@H]1C[C@H]1CC)NC 2236530440 SARBLRXGWRVHHD-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)OCc1cccc(CN[C@H](C)CC)c1Cl 2238949364 PXTWMEWFONAEDK-KGLIPLIRSA-N 295.854 4.709 30 10 CJEE Cc1c(SCCCCCCC2CC2)ccc(N)c1C#N 2239324625 FETAIVAIUYLTMH-UHFFFAOYSA-N 288.460 4.902 30 10 CJEE CCCCCCCCCOC[C@H](NC)C1CC2(CC2)C1 2239446581 PSLODUWBXRABOY-KRWDZBQOSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCO[C@H]1CCC2(CCC2)[C@@H]1N 2239493137 PXTRDASEOBZKLM-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CC(C)CCC(=O)[C@H](C#N)c1ccc(C(C)(C)C)cc1 2240173346 PWLHHZCEUZTMKU-MRXNPFEDSA-N 271.404 4.597 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)C[C@@H](C)O[C@H]1C 2240206801 FOTZSXLKSLLLOP-SOLBZPMBSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@H](C)N1CC[C@H](CCN)C[C@H]1C 2240571459 CXUQZEWFMJVEGV-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCCC[C@H]1N(C)C 2240639937 KYUVDPAGLUMODJ-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NC)C1CCCCC1 2240641541 BSNNYPVMVQCLNI-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC[C@@H]1N 2250059039 DDCVHOOXNSGDJH-GJZGRUSLSA-N 255.471 4.516 30 10 CJEE C=C(C)CCCC[C@@](N)(CC)CCC(F)(F)F 2250149830 DNNMJUCMNNFDSF-LBPRGKRZSA-N 251.336 4.573 30 10 CJEE CCC(=CC(=O)c1cc(F)cc(C(F)F)c1)CC 2259160424 ALNIEUDGQKIKIC-UHFFFAOYSA-N 256.267 4.692 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCC[C@@H](C)C1 2259194232 JFWSGVYKBHUQOV-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@]1(O)CCC(F)(F)CC1(C)C 2259232749 FHJVAWZGSFDIMV-AWEZNQCLSA-N 260.368 4.699 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264921135 FWWJHQIUDGGDEV-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc(C(F)F)cs1 2268740148 WWNRNWXNDVMIBL-LBPRGKRZSA-N 284.371 4.715 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccncc1Cl 2271842463 WPWBKBJQJSMLKC-INIZCTEOSA-N 280.843 4.912 30 10 CJEE C=C[C@H](C)CCNCc1cc(-c2ccccc2)cs1 2273032289 QXVUODUWLAGCEN-AWEZNQCLSA-N 271.429 4.717 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C[C@@H](C)C(C)(C)C 2273978362 XEYJSEPHDCXWFE-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H](C)CCC 2276469444 WXDYMRSLFPMZEG-SJORKVTESA-N 271.489 4.907 30 10 CJEE C=C(Cl)CC1(OCCCN)CCC(CC)(CC)CC1 2277002432 GGILGDCDLXUXDS-UHFFFAOYSA-N 287.875 4.614 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@@H]1CC[C@@](C)(CC#N)O1 2277878437 UTAGITPHFBFIBH-CABZTGNLSA-N 289.322 4.599 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C(C)(C)C)CO1 2278123789 CHWJOWYUYRLPJX-DOTOQJQBSA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CCC)OC 2278235194 BWISHTTXFCOXTK-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CO)CC(C)C 2278246319 POGTUFRBGLVDMZ-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCC12CC2)NN 2281450483 OYERQXULYBRFDS-DLBZAZTESA-N 280.500 4.929 30 10 CJEE CCC(CC)([C@H](O)CC=CC#CC(C)(C)C)C(F)(F)F 2284171600 OSFYVJWLWBYZDR-CYBMUJFWSA-N 290.369 4.712 30 10 CJEE CCCCCCCCc1nc2ccc(COC)cc2[nH]1 2285098915 IWZZVDOEMFCQCM-UHFFFAOYSA-N 274.408 4.612 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1cccc(-c2ccccc2)c1 2285331502 ZTRLDLOCDXUSNP-KXBFYZLASA-N 265.400 4.826 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H](C)C1 2287467754 XOMSOKFKYHRILF-MLHJIOFPSA-N 281.484 4.695 30 10 CJEE C#C[C@H](NCC[C@H](C)CCCC(C)C)c1ccccc1 2287859349 OKVUJFBNELUBJJ-MJGOQNOKSA-N 271.448 4.803 30 10 CJEE C=C[C@H](C)CCN(C)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2288902339 WTOVKLBRMOIHHH-HNSVSWJLSA-N 285.422 4.592 30 10 CJEE CCCCCCCCC[C@H](C[C@]12CCC[C@H]1CC2)NN 2289142879 QUKHAQGGLXMRIL-RCCFBDPRSA-N 280.500 4.929 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(C)CCCCCC1 2289716949 WRYSGXWIYCRCIT-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@]12CCCC[C@@H]1C2 2289866474 JJNINJKEHALJBH-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CC(C)CNC[C@@H]1CCCC[C@H]1CC#CC1CCCC1 2289875241 PVGHBFGEHHCLLG-OALUTQOASA-N 275.480 4.622 30 10 CJEE CC[C@@H]1CC[C@](CC#CC2CCCC2)(CNC2CC2)C1 2289899980 XGDRQXCREDADPJ-APWZRJJASA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CCCC[C@H]1F 2293189035 DWWYJPVJZUHUQU-BBWFWOEESA-N 287.463 4.609 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1cocc1C 2293448656 KWSDKDKLVPNBNE-KRWDZBQOSA-N 281.440 4.745 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCCCC[C@@H]1C(C)C 2293825923 RNVORGVUNJLTGV-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)c1ccccc1Cl 2294251522 KZZFNAWWBUNKHX-KRWDZBQOSA-N 295.854 4.523 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ncccc1Cl 2294591310 IOKFKFJVMLOVNM-HNNXBMFYSA-N 298.858 4.502 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@H]1CC1(C)C 2295524190 HIVJYBUKDARYJW-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1[C@@H](CC)[C@H]1C 2295601255 MSUZROCIGMIMFT-HPFXQQBRSA-N 282.468 4.739 30 10 CJEE CC=C(CC)C(=O)Cc1ccc(Cl)c(Cl)c1C 2301115265 OKEOYIJQCVKLTB-UHFFFAOYSA-N 271.187 4.770 30 10 CJEE C=C1C[C@H]1C(=O)c1cc(Br)cc(C(C)(C)C)c1 2302904118 FLRPUNFGGGUFQJ-CYBMUJFWSA-N 293.204 4.505 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(F)cccc1Br 2304057188 BVJQWLUSEFSAFJ-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE C=CCC(CC=C)N[C@@H]1CCCc2sc(Cl)cc21 2313652274 VJGAEFXTQQZDQM-CYBMUJFWSA-N 281.852 4.889 30 10 CJEE C=C[C@@](N)(c1cc(C2CC2)ccc1Cl)C(C)(C)C 2317138762 SFLPYWNVCSZIGA-MRXNPFEDSA-N 263.812 4.604 30 10 CJEE C=C(C)C[C@H](CCCCC[C@@H]1C[C@@H]1C)NCCC 2319287002 QVVOMMNPHYAPCL-BBWFWOEESA-N 251.458 4.927 30 10 CJEE SC[C@@H](COCC1CCCCCCC1)C1CCC1 2319943455 GEXNZPSCDSSCQA-MRXNPFEDSA-N 270.482 4.710 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC1CC1)C1CC1 2320801011 FGFNQYRMDALSGL-SJORKVTESA-N 252.442 4.924 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(F)ccc1Cl 2321134209 MJECXGGOANFJDS-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cscc1C(F)(F)F 2321176656 GEHAXMUNSJENEA-GFCCVEGCSA-N 276.323 4.942 30 10 CJEE C=CCCCCCCN(C)C1CC(CCSC)C1 2321252623 IYNAVMUNPHZYGJ-UHFFFAOYSA-N 269.498 4.586 30 10 CJEE CCOc1cccc(C=CC(=O)c2ccccc2Cl)c1 2323092630 STCNTARNQSFRBR-UHFFFAOYSA-N 286.758 4.635 30 10 CJEE CCC[C@@H](CC)COc1cc(Cl)c(C#N)cc1F 2328309257 QMJNBKRTBOTTLU-SNVBAGLBSA-N 269.747 4.556 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)cc1)[C@H](C)N 2335100710 MLSHEQXAVHHRFL-BLLLJJGKSA-N 295.879 4.982 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)CC1CCC1 2335242779 TXRGJQXDBMJSHC-RDJZCZTQSA-N 268.489 4.785 30 10 CJEE CCCN[C@H](CC#CC1CCC1)CC1CCCCC1 2337577779 LKXKIKPZDZOGLX-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)c1ccc(F)c(OC(F)(F)F)c1 2338715602 ULJZIWUNXPTNKO-UHFFFAOYSA-N 274.257 4.960 30 10 CJEE C=C1CC(CNCC)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2338995839 BMRCWOBRTOIONP-ULQDDVLXSA-N 261.453 4.539 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc(OC)c(Cl)s1 2340266933 DHQCXNARNOQRKX-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE CCSc1cccc(N[C@H]2CC(C)(C)[C@H]2C)c1C#N 2340663924 UFUNIRKMBJRREK-FZMZJTMJSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCC[C@H](O)C#C[C@@H]1CC1(F)F 2341014960 MBIQBMGEVUQMQU-CABCVRRESA-N 272.379 4.537 30 10 CJEE C=C1CCC(CN(C)C[C@H]2CCC(C)=C(C)C2)CC1 2343441640 VFXSVYMJGKVKFE-SFHVURJKSA-N 261.453 4.801 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1nccc2sccc12 2344339299 HYUCCUKLGCHOLT-HNNXBMFYSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(C)c2ccccc12 2344354796 CFQBHEWCOWZNKN-KRWDZBQOSA-N 253.389 4.750 30 10 CJEE C=CCC(C)(C)[C@@H](CC=Cc1ccccc1)NCC 2344373360 ZQEJIKQIFXXSQJ-QGZVFWFLSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1C2(CCC2)C12CCC2 2344472919 FOOLPKXDOJFSNZ-HOTGVXAUSA-N 262.437 4.700 30 10 CJEE CC[C@](C)(CCCC(C)C)OC[C@]1(CS)CC1(F)F 2351886398 YUALUBGPYFTPKD-KGLIPLIRSA-N 294.451 4.953 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C(F)(F)F 2351895451 DGJJRFGWEACLMF-GFCCVEGCSA-N 298.370 4.652 30 10 CJEE CNc1cccc(C#Cc2c(Cl)cc(C)cc2Cl)c1 2353117968 QSRCMLCLXZPWJK-UHFFFAOYSA-N 290.193 4.743 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2358137750 XPSAPXDIXOMDOW-INDMIFKZSA-N 276.464 4.928 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@]12CCC[C@@H]1C2 2359392783 WJICDOHFHKNJQL-ZIFCJYIRSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)[C@@H]1C[C@H]1CC 2359974546 XRQVRUURSQEWBW-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)NCCC)cn1 2360379627 WXHCORPOKJZRNM-CQSZACIVSA-N 290.476 4.755 30 10 CJEE C/C(=N\Nc1nc2ccccc2s1)c1ccc(C)cc1C 7894611 FJNTXDJDVZDWON-CPNJWEJPSA-N 295.411 4.749 30 10 CJEE CC(C)c1ccc([C@H](C#N)NCCC2=CCCCC2)cc1 20174404 FHPSRQIZARGUJV-IBGZPJMESA-N 282.431 4.855 30 10 CJEE Cc1ccc(-n2c(C)c(C#N)c3ccc(Cl)cc32)cc1 34808859 DTDVQMFQYDYMDU-UHFFFAOYSA-N 280.758 4.772 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)cc(F)c2C)c(C)c1 37089302 OPMPOHRQAJZJMF-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CCCCCC[C@@H](C)OCCCOc1cccc(C#N)c1 37138631 AGJPTCGUIBTLSW-MRXNPFEDSA-N 289.419 4.703 30 10 CJEE CC(C)c1nccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 37147561 WIADYHHYBRCYMX-ILXRZTDVSA-N 273.424 4.534 30 10 CJEE C#Cc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 37185196 PLQYIECPZDMIAY-GOSISDBHSA-N 281.786 4.885 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1ccc(C(F)(F)F)cc1 37970136 RCJBGPAGINEHNW-HNNXBMFYSA-N 296.336 4.582 30 10 CJEE CCc1ccc(C[C@H](C#N)c2ccc(Cl)cc2)cc1 41391017 BKEINXYDYMPYND-MRXNPFEDSA-N 269.775 4.752 30 10 CJEE CC(C)(C)c1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 54823238 FHKNMWVLSAOQJI-YOEHRIQHSA-N 270.420 4.868 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)Cc1ccc(C)cc1 59090491 KYUJGBPTYFBQJC-IBGZPJMESA-N 290.495 4.505 30 10 CJEE CCCCCCCCCOc1c(CN)cccc1OCC 59222067 WRTGWDSDMGQMIE-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE CCCc1oc(-c2cc(C)ccc2C)cc1CC#N 77080874 BMWVZEXHFYRSBB-UHFFFAOYSA-N 253.345 4.582 30 10 CJEE CCCOc1ccccc1-c1cc(C#N)c(CC)s1 77096888 AEQXXDSOBICSCD-UHFFFAOYSA-N 271.385 4.638 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cccc(Br)c2)C1 87996858 SPQDDRGALBOVCU-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE Cc1cccc2cc(/C=C\C(=O)c3ccco3)c(Cl)nc12 97455611 IJXXEWAWFROJHX-FPLPWBNLSA-N 297.741 4.686 30 10 CJEE CC#CCCc1cc(C)cc(C(C)(C)C)c1OCC 107672805 MPWUZOYSWWFUKQ-UHFFFAOYSA-N 258.405 4.647 30 10 CJEE CC(C)C1CCC(C#N)(Nc2cccc(Cl)c2)CC1 110028742 DOTVLNADHSOXOC-UHFFFAOYSA-N 276.811 4.860 30 10 CJEE CCCCCCCSc1cccc([C@H](C)N)c1 114924954 MDOGPJAPWBUTQT-ZDUSSCGKSA-N 251.439 4.769 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@H](CCC)C1 115653822 GMNDROVNBRKSQA-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCOc2ccccc21 115844294 ROJHIIFQYVRJSM-NVXWUHKLSA-N 275.436 4.631 30 10 CJEE CCCCCCC[C@H](NCC)[C@](C)(CC)N1CCCCC1 118164548 LFYSUYNFUBMXAZ-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCC[C@@H](CCN(CC)CC)NCC 118214449 PWDFQYRLZCNTDS-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CC(C)CCCCNc1cc(Br)ccc1C#N 123365027 DRDDAXUXEJYRFW-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2c(c1)CCC2 125766319 JIMHEHBVXVWVAH-GOSISDBHSA-N 257.421 4.572 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ncc(C)cc1C 130604937 XHPPAMHXOWTQAZ-QGZVFWFLSA-N 291.483 4.734 30 10 CJEE CCCCCCCCC[C@H](CCSC)NCC 139476675 OVPJHRCZLKMDJQ-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCC[C@H](CCc1ccco1)NCC 139550290 GEKBGRZGTZBMKA-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H](C)c1ncc[nH]1 140774403 ZNWVMCQMLBJPQE-OAHLLOKOSA-N 293.455 4.508 30 10 CJEE CCCCCCCCC[C@@H](O)C(CC)(CC)OC 161927098 UQGLNHAYOJJVOR-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](OC)c1ccccc1 163179477 WKQQLFWETGTEKD-ROUUACIJSA-N 278.436 4.876 30 10 CJEE Cc1ccc(C#N)c(Sc2ccc(O)c3ccccc23)c1 163443138 KLZVAUYQEYEJPW-UHFFFAOYSA-N 291.375 4.877 30 10 CJEE CC1CCC(C#N)(Cc2cccc(F)c2Cl)CC1 166803612 NOQYLBHFEOJRIS-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@H](C)N 167579891 DRVLZPDTFRMZLV-HNNXBMFYSA-N 255.446 4.604 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)C1CCCCCC1 167858336 ZHOUKXMUDKHLOF-HNNXBMFYSA-N 277.795 4.926 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)CC1 168254880 MZTLJFVZJGLIAX-HUUCEWRRSA-N 274.383 4.714 30 10 CJEE N#Cc1c(Br)cccc1Sc1cccs1 168999797 IRBDHRZHMXJQDW-UHFFFAOYSA-N 296.214 4.533 30 10 CJEE CC#CCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 169080630 WAAVIWQIPDTTCN-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CC(C)c1ccc(C[C@@](C)(C#N)N2CCCCCC2)cc1 212306737 XXVJFUGAXNSHMC-IBGZPJMESA-N 284.447 4.511 30 10 CJEE CCCCCCCCN(CC)[C@@]1(CN)CCC[C@@H](C)C1 218847689 APDQAPDOVIRNKI-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2c(s1)CCCCC2 229734798 JNVUPHQKAQVHSX-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCNc1ccc(Cl)c(OC)c1 232198735 XORHRRGDEMKMEW-UHFFFAOYSA-N 255.789 4.731 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)c(F)cc1F 232924390 AFAWURLJHFWLIW-HNNXBMFYSA-N 274.326 4.888 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cccnc1C 233164444 RWRIOBJUFUTASI-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE CCCOc1ccccc1OCCCCC(C)(C)C#N 233247186 ULKMATVMIUSCTN-UHFFFAOYSA-N 275.392 4.574 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc2c(c1)CCC2 233611336 WOTYFRMKHMAJEE-LJQANCHMSA-N 271.448 4.962 30 10 CJEE C=CCCCCC[C@@H](C(=O)O)c1cccc(Cl)c1 236456034 ZLACECLJHZEMFL-CQSZACIVSA-N 266.768 4.645 30 10 CJEE ON=C1CCCCCCCCCC[C@@H]1N1CCCCC1 254293313 YPGPOKIALLCVCA-KRWDZBQOSA-N 280.456 4.586 30 10 CJEE C[C@H](CC#N)c1csc2cccc(C(F)(F)F)c12 259914942 CPHLWKPSDKBQLS-MRVPVSSYSA-N 269.291 4.937 30 10 CJEE CC[C@@H](C)[C@@H](C(=O)CC#CC(C)(C)C)c1ccccc1 312224975 HBJOJKGKHMCJEN-CRAIPNDOSA-N 270.416 4.825 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCOC[C@H]1C 312343437 DKLBKTWFOPOQMJ-KURKYZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@@H](N)C1(COC)CCCC1 312946312 KGLJXICFKOORGJ-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](CNC(C)(C)C)OC 315920718 FIKPVYHVVQVXGU-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CC[C@@H]1CC[C@@](C=O)([C@H]2CCOC3(CCCCC3)C2)C1 316758955 IUUMMSGCWSPDBK-IXDOHACOSA-N 278.436 4.511 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1cc(Cl)ccc1OC 319882420 XFECWVJLASMIEC-MJVIPROJSA-N 265.784 4.638 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 388563682 PYWQXZJHVZAASN-SMDDNHRTSA-N 269.310 4.995 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCC[C@@H](O)C2)CC1 394276751 YJQRNFZGFNWUPM-UERKLNTKSA-N 277.452 4.674 30 10 CJEE C=CCSC[C@@H](NCCC)c1cccc2ccccc12 394398045 DAYOMFXRWWKWPW-GOSISDBHSA-N 285.456 4.800 30 10 CJEE C=CC(C)(C)COCCC(CC)(CC)CNCC(C)C 395821864 SMTVMXZPFQDKCV-UHFFFAOYSA-N 283.500 4.657 30 10 CJEE CC(C)(C)c1ccc(SC[C@@H](C#N)C2CC2)cc1 397238676 KHTFPAANNKZNJI-CYBMUJFWSA-N 259.418 4.626 30 10 CJEE C=CCCC[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2N 398161792 WBVOHAYEWZLDNS-CZUORRHYSA-N 274.452 4.686 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc2ccccc12 398165020 JFNLBKHDEURNTO-OAHLLOKOSA-N 253.389 4.674 30 10 CJEE CC(C)[C@@]1(C)CS/C(=N/[C@@H](C)c2cccc(Cl)c2)N1 398475593 AFXRGSRFFVMUPG-XHDPSFHLSA-N 296.867 4.508 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](C)c1oc2ccccc2c1C 464439505 XZXXCJXHOOJOIK-GXTWGEPZSA-N 285.387 4.521 30 10 CJEE C#CCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 686692418 CHQRMJITELSCFB-AWEZNQCLSA-N 270.203 4.577 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(SC)c1 687006204 ICYKCYCFHGKFBS-MRXNPFEDSA-N 280.481 4.664 30 10 CJEE N#C[C@@H](CNc1cccc(F)c1Cl)C1CCCCC1 690232243 JVSLXYQDKLUPJF-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCSCC1 692428221 YUERRROBNODTSW-CYBMUJFWSA-N 279.474 4.662 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@@H]1CCNC1 695294248 JJUQWAPNSYSBPL-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@@H](NC)c1csc(COC)c1 699869421 IQRPZHNDSXDOBR-MRXNPFEDSA-N 283.481 4.906 30 10 CJEE C=CCCC(C)(C)CNCc1c(F)ccc(F)c1Cl 703961559 NRHRKJHATUJTOT-UHFFFAOYSA-N 287.781 4.700 30 10 CJEE CCCCCCCCC[C@]1(N)CCCS[C@@H]1C 707486982 COEJMBZKTRPOSL-CABCVRRESA-N 257.487 4.740 30 10 CJEE CCCC(CS)(CCC)CSc1nccn1C1CC1 709769461 RXZHYDGUNFOGFN-UHFFFAOYSA-N 298.521 4.827 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1 710655151 WTQLKBKYHIXUJB-RBSFLKMASA-N 257.849 4.714 30 10 CJEE CCCCCCCCCCN[C@H]1COC[C@@H]1CCC 710914327 JBEBMDINGRLSDB-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714427872 KHLMJDUYBYOSGP-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C)c1Br 715720538 NUPVPHYTYZWXDF-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NC 716917261 QNCXMOWWUJNOCU-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H](C)COCc2ccccc2)C1 719622010 JAGDBYDQGMQIJA-YQVWRLOYSA-N 285.431 4.949 30 10 CJEE C=C1CCC(C[C@@H](O)Cc2c(F)cccc2Cl)CC1 724556182 KYTQFPHTILUWCC-CYBMUJFWSA-N 282.786 4.519 30 10 CJEE C=C1CCC(CSc2ccc([C@@H](C)O)cc2)CC1 724595851 WSNRAZOVOBELMK-CYBMUJFWSA-N 262.418 4.578 30 10 CJEE C=C1CCC(C[C@@H](CC(C)(C)C)NCCC)CC1 724600746 RCYGYCPSFSCXSN-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCNc1ncnc2ccsc12 1163437677 UCXDLTLYJFDXQC-UHFFFAOYSA-N 275.421 4.630 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCSc1ccc(Cl)cc1 1174779895 JSGCQDKZRLFJSN-GASCZTMLSA-N 293.863 4.615 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C(C)(C)C)s2)C1 1179519767 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2274075820 ZXOXTFGTXOERSR-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=CC[C@](C)(CCCCCCCCC)OCC(=O)O 2274756271 FRCWJDJHICIWAK-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CC[C@@H](C)C1 2276530717 WLBXXFNPXBRMEA-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C1(C)CC1 2276653760 MTJBTPXKIWQWIT-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](OCCN)C1(C)CCCCC1 2276766238 BSCHILOIMRNTFB-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE C=C(CC)C[C@@](C)(CCCCCCCC)OCCN 2277086133 XWXDCTSYGDURNA-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CC(C)(C)C(NCc1ccc(C#N)cc1Cl)C(C)(C)C 2281571405 NBLKLMLJAGPMOC-UHFFFAOYSA-N 292.854 4.762 30 10 CJEE C=C([C@@H](NCCC)c1c(F)cc(C)cc1F)[Si](C)(C)C 2283508005 WIKLXOSQXLDWRX-MRXNPFEDSA-N 297.465 4.748 30 10 CJEE CC(C)(C)C#CC=CCCCc1ccc2c(c1)CCO2 2284096473 REJFNKQSQQZFNV-UHFFFAOYSA-N 268.400 4.550 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1CC(CC)C1 2284176691 OFEAVIMWGJCCSV-DAWZGUTISA-N 275.480 4.787 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C=O)CCCCC2(C)C)c1 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CCC[C@@]1(C)CSC(=N[C@@H]2CC(C)(C)CCC2(C)C)N1 2290313621 JAGUKXYZDXEQQB-DYVFJYSZSA-N 296.524 4.843 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)C1CC=CC1 2292648109 VBNXHKBFVCVYNL-SFHVURJKSA-N 279.468 4.603 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C=CCC(C)(C)C1 2292885241 NBLLFMXVYLSRRE-SFHVURJKSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CC1(C)C)OCCN 2292942819 HSBFWBCGDLRUJH-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC(N)(CC)CC1 2295539718 XWIPJTPYHJTLPW-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1ccccc1 2295673442 HYNJQRQJGOWGMG-ZWKOTPCHSA-N 277.452 4.578 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H](N)C[C@H](C)S1 2298945472 LXDIBWUKULNJLS-SOUVJXGZSA-N 257.487 4.739 30 10 CJEE CC1CCC(CSc2nc(Cl)c(C#N)s2)CC1 2299043617 BZSUZAZKOXZLLL-UHFFFAOYSA-N 286.853 4.587 30 10 CJEE CC[C@@H](C)N[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301288214 BTCLWKIQMCEJFN-GMSGAONNSA-N 291.609 4.600 30 10 CJEE CCCC#C[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065165 SJUQDUGYIMQLNX-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CCC(C)(C)C1 2319061560 MAPHMOLMAPZJAN-WMLDXEAASA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccccc1CSC 2319294111 YHGLLGNUUWTUEM-MRXNPFEDSA-N 263.450 4.557 30 10 CJEE CC(C)c1cccc(COC[C@H](CS)C(C)C)c1 2320655041 HPZUUMSFYLJTCB-MRXNPFEDSA-N 266.450 4.529 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)ccc1Cl)NC 2321107784 JJVLVAPKENMTOQ-CQSZACIVSA-N 286.246 4.726 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1CC(C2CCC2)C1 2321216699 IWVNKUBFDMZKOW-KMZOKZLKSA-N 250.426 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(C(F)F)c1 2321227519 FJYOSTODLWZHGH-DZGCQCFKSA-N 254.320 4.650 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@H](CS)CC(C)C)s1 2328541894 QTKIMKVSIMGGIN-UONOGXRCSA-N 285.522 4.641 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2331085581 BAQJXRXOWPMQDM-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=C(c1ccccc1)[C@@H](CC[C@@H]1C[C@H]1C)NCCC 2332481134 SBSPRXJVIXTDKY-ZTFGCOKTSA-N 257.421 4.504 30 10 CJEE C=CCC(CC=C)O[C@H](c1ccc(Cl)s1)[C@H](N)CC 2335109414 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4.913 30 10 CJEE CCCCCCCCCCCO[C@H]1CNC[C@H]1CC 2344731917 DHLLIMBRRDZZPH-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC(C)C1CCC(C=O)(C2CC3(CC(F)C3)C2)CC1 2344915863 HYQFCAPBNCYHAY-UHFFFAOYSA-N 266.400 4.546 30 10 CJEE CC[C@@H](C)c1ccc(OC[C@@]2(CS)CC2(F)F)cc1 2351891566 VOCCDXSMYOCGEY-BXUZGUMPSA-N 286.387 4.534 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)CC[C@H]1CC 2351898973 LLHDBMKVYRRGNI-GDBMZVCRSA-N 284.465 4.890 30 10 CJEE CCCCCCC[C@@](C)(S[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)O 2351991456 QGTLBAVHXRGOMR-HLPPOEQASA-N 284.465 4.722 30 10 CJEE OCCCCCCCC#Cc1csc2ccccc12 2353043649 BMEFVOMKLALJQT-UHFFFAOYSA-N 272.413 4.586 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354881986 DTOLWCXQBWLLCO-FJIDUMEYSA-N 275.480 4.621 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354882091 FXKDHUVNPSBWGE-ZWJWXYIHSA-N 275.480 4.927 30 10 CJEE CC(C)c1ccccc1/N=C1/NC2(CCCCC2)CS1 53097600 ZGFLCNDSILRGFP-UHFFFAOYSA-N 288.460 4.837 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2c(C)cccc2C)c1 57695433 WVHZZSMEKWPLCB-GOSISDBHSA-N 293.410 4.997 30 10 CJEE CC(=O)c1cccc(/N=C/c2ccc3ccccc3c2)c1 59508186 WUFSDWQNEPLMSD-DEDYPNTBSA-N 273.335 4.793 30 10 CJEE Cc1ccccc1Cn1c(Cl)c(C#N)c2cccc(F)c21 71465978 UBAGZEXFYWXAQS-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CCc1sc(-c2ccc(OC)c(C(C)C)c2)cc1C#N 77097440 YOYZKPDCFGWEHG-UHFFFAOYSA-N 285.412 4.981 30 10 CJEE CC(C)c1nn(C2CCCCC2)c2c1[C@H](CC#N)CCC2 82825689 GAPDKWYHXWDTGN-AWEZNQCLSA-N 285.435 4.845 30 10 CJEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)sc1C 87567393 JHUUOIMEYYUXGM-INIZCTEOSA-N 297.423 4.978 30 10 CJEE CCC[C@@H]1CCC[C@](O)(C2(C#N)CCC(C)CC2)CC1 91903418 OUJPCXQLNFNCPY-GPQLOAJWSA-N 277.452 4.818 30 10 CJEE N#C[C@@]1(C[C@H]2Cc3ccccc3S2)CCc2ccccc21 92273633 JUXKEEPZCCYFLP-APWZRJJASA-N 291.419 4.501 30 10 CJEE CC(C)CCCOCC1(CS)CCCCCC1 94584038 SVJMADGZXLUNLO-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE CCCCCCCC(=O)Nc1ccc(OCCC)cc1 100168804 AQJPGWLIJOQLIJ-UHFFFAOYSA-N 277.408 4.774 30 10 CJEE CCCCCCCCC[C@]1(CN)C[C@H]2CC[C@@H]1C2 103996316 OWQABADMGMIJOR-GVDBMIGSSA-N 251.458 4.892 30 10 CJEE CC#CC[C@@H](C)c1cc(C(F)(F)F)ccc1OCC 107474938 NOWNMAKBZKIULV-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)cc1OC 109934700 KHRHNZSFPZQUIN-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 110023371 FSSQLRWGTHNHAN-IKGGRYGDSA-N 284.484 4.939 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(CC)o1 110233459 KECINMPYMLNRDH-OAHLLOKOSA-N 251.414 4.853 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1CNCC 110325981 YLGNRASNMQAFGJ-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCC[C@H](N)Cc1cc(C)cc(C)c1 110446613 DMTSSFFTWCEHPN-SFHVURJKSA-N 261.453 4.924 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@]1(C)C1CC1 115223537 PELQLOMSRMUCDI-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H](C#N)CCC 115857442 ITTXXMLQIJKHQI-INIZCTEOSA-N 280.456 4.716 30 10 CJEE CCCCCCCCCn1ccc2cccc(CN)c21 116061596 CWJKRUWGGWSYMW-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](O)c2cc(OC)ccc2O1 121989307 GSMVEPQSDDFMNC-AEFFLSMTSA-N 292.419 4.630 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C(C)C)cc1 125331962 IXYZEVKUODRPGR-QGZVFWFLSA-N 262.441 4.675 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(OC(F)(F)F)cc1 125805644 LYOVDYBJCMSUPT-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1Cc2ccccc2O1 126522463 WYBKCCYPXSSBHE-HKUYNNGSSA-N 289.463 4.719 30 10 CJEE Cc1cc(N2CCC[C@H](C(C)(C)C)CC2)ccc1C#N 126896769 GMSRVOSKCQCWJI-INIZCTEOSA-N 270.420 4.519 30 10 CJEE CSc1cccc(N[C@H]2CCCCC[C@H]2C)c1C#N 127076566 CLSFFCKLOZGSGI-OCCSQVGLSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(OCC)CCCCC1 131007632 ZFXGFQCEDRJQRW-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(Cl)cc1Cl 132281601 KPKZLSRRCRHLNT-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C#CCCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 134000045 KARUEBKZIWOEMF-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE CCCCCCCCCC(=O)CCc1ccccn1 135411215 HGWRNBGHDDTBAL-UHFFFAOYSA-N 261.409 4.724 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(Cl)nc1 149466701 SEIQSSQAGCKLHV-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(F)c(F)c1F 158140297 XVMJDXAJRIJRKV-ZDUSSCGKSA-N 273.342 4.725 30 10 CJEE CCCCCCCCNc1cc([N+](=O)[O-])c(C)cc1C 159705994 XOAWAWQSKZXZTP-UHFFFAOYSA-N 278.396 4.984 30 10 CJEE C=C(C)CCNc1cc(Cl)cc(C(F)(F)F)c1 164427436 QHGDDHRYINSTEI-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE C[C@@H](Oc1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1 164490208 AOGPFKWVYPKACG-LLVKDONJSA-N 291.272 4.717 30 10 CJEE CCCCCCCC[C@@H](N)CCc1cccs1 166387404 XHMOOPSNRVPSBY-CQSZACIVSA-N 253.455 4.759 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 219585637 RSOCWQUPDSWSLX-KMUNFCNLSA-N 297.229 4.726 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc2ccccc12 221138153 XRZWQMHDRBXVHT-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CCCC[C@H](CCC)Nc1ccc(C#N)c(F)c1F 226031481 ITKGONZODMYJCJ-LBPRGKRZSA-N 266.335 4.607 30 10 CJEE CC#CC[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 227527707 CYNVWLQZAWKNHK-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=C[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 229324810 JJJBBGZTMHNALB-RNCFNFMXSA-N 258.192 4.609 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C)cc1Br 229736451 KRHLPVJAXSHEAJ-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)C1 231003981 CMVPQQRIFWNHAX-BBRMVZONSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@@H](O)C1(CN)CCCCCC1 232942464 AMPHAZGJOBCZCV-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE C=CCCCCC[C@H](NCC)C1(OC)CCCCCC1 233534401 YJXALIHWYALSMD-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@H]1[C@H](C)CC 250827157 OJEVQBZGCPTKMZ-QRVBRYPASA-N 296.543 4.836 30 10 CJEE CCOc1ccc(C=NNc2ccc3ccccc3c2)cc1 254576869 FLXJFDPETBTCOS-UHFFFAOYSA-N 290.366 4.685 30 10 CJEE Cc1cc([C@H](C)CC=O)cc(C)c1OCc1ccccc1 258570633 KTNBOATTWMWUKL-CQSZACIVSA-N 282.383 4.575 30 10 CJEE CCCCCCCCCC[C@@H](NN)C(C1CC1)C1CC1 302648636 VIBHQMKRQBGNNH-QGZVFWFLSA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@H](C)NCCOC(C)(C)CC 308743355 QAYYNCNTRXSAIX-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@H](CC#N)O1 311244238 ZITGPQDEJPLBBQ-JKSUJKDBSA-N 251.414 4.978 30 10 CJEE CCCCCCC[C@@](C)(CNCC(C)C)OC(C)C 316296932 JYEHEMZPVCWHMD-KRWDZBQOSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCC[C@@H](CN(CC)CC)NCC 327971668 GHCRXCCAEADWNG-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=C(C)N(C(=O)OC(C)(C)C)c1ccccc1/C=C/C 380897934 LIKKQPQPDLEGDE-JXMROGBWSA-N 273.376 4.995 30 10 CJEE CCCCCCCCCCCCN1CC[C@@](C)(CO)C1 381361954 KNMYXNRMXAOUQD-GOSISDBHSA-N 283.500 4.612 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cc2ccccc2s1 384761999 ALTMPHGIZTYITL-LBPRGKRZSA-N 259.418 4.764 30 10 CJEE C=CC(C)(C)CN[C@H](CC(C)(C)C)c1ccccc1 384990928 SUUYRDUPDCHEQE-MRXNPFEDSA-N 259.437 4.966 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@H]1c1ccccc1 385222470 RGIZLTZRWUJGGN-ROUUACIJSA-N 259.437 4.883 30 10 CJEE N#C[C@@H](C(=O)c1csc(Cl)c1)c1ccc(Cl)cc1 386237693 QPQPNOZAIANMDT-LLVKDONJSA-N 296.178 4.545 30 10 CJEE CC1CCC2(CC1)CS/C(=N/[C@H](C)CCC(C)(C)C)N2 386353213 NGCCCHKMUFXVKD-XOYHFGRZSA-N 296.524 4.843 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1cc2sccc2s1 387567962 MBKAKNQVZNJTMI-OAHLLOKOSA-N 295.473 4.595 30 10 CJEE C=C([C@H](NCCC)c1cccc(C)c1Cl)C(F)(F)F 394045520 RMIRNABFMLTTQL-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE C=CCCC[C@@H](C)NC[C@@H](c1ccccc1)C(C)C 398204021 XGOVWXMLBJIJPJ-SJLPKXTDSA-N 259.437 4.761 30 10 CJEE CCCCCCC[C@@H](CCCSC)NCCC 401616103 NQRCRTSNGVDDNY-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC)CC(F)(F)F 402773860 LUFZGRWECDJYFQ-NEPJUHHUSA-N 254.336 4.686 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](C)OCc1ccccc1 404459059 HKTYIWQVDLFCRF-PKOBYXMFSA-N 291.479 4.930 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCCCCC2)c(Cl)c1 404563441 VSGVMHGTJDQZRI-HNNXBMFYSA-N 277.795 4.546 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC/C=C/CC 455249641 QZQIQARZSSZYND-BQYQJAHWSA-N 286.419 4.626 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)c2cc(C)cc(C)c2)cc1 500567973 SQCDSCVFQZSWLR-KRWDZBQOSA-N 295.426 4.719 30 10 CJEE Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(C#N)cc1F 512281070 IUIHWVZKYKDPAD-NSHDSACASA-N 288.753 4.832 30 10 CJEE C#CCCCCC[C@@H](C[C@H](C)C(C)(C)C)NCC 686686460 JPJFNEZYNBKEHH-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CC[C@H](C)C[C@@H](C)/N=C1/NC2(CCCCC2)CCS1 687320244 CBVGATVDKUXDIL-UONOGXRCSA-N 282.497 4.597 30 10 CJEE CCC(CC)(CC)/N=C1/NC2(CCCCC2)CCS1 687320752 QPIDLTNSSFWTHN-UHFFFAOYSA-N 282.497 4.741 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]1(C)CCOC1 687393467 PMRWSDDUKJZBDU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCNOCC1CC1 688464707 MFVCMTIMTATSQV-UHFFFAOYSA-N 255.446 4.839 30 10 CJEE CCCCCCCCCC[C@H](NN)C(C)(C)C(F)(F)F 690249580 CLVNOFHERKHAGR-ZDUSSCGKSA-N 296.421 4.938 30 10 CJEE C=CCC1(NCC[C@@H](C)c2ccccc2)CCCC1 690781273 LDSFFUMOBCPZRC-MRXNPFEDSA-N 257.421 4.659 30 10 CJEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCC1 698358588 LYEBUTNCJWNWHF-UHFFFAOYSA-N 294.439 4.639 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccccc1OC(F)F 701918548 HZHBJEMVWOWVHX-LBPRGKRZSA-N 283.362 4.541 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 702172628 MXUYLBUHOFUWGL-XHDPSFHLSA-N 296.197 4.606 30 10 CJEE C=CCCC(C)(C)CNc1cc2nc(C)sc2cc1N 703989400 LEHXFVXEXJEPRC-UHFFFAOYSA-N 289.448 4.591 30 10 CJEE C=CCCC(C)(C)CN[C@H](CCC)[C@H]1CC1(C)C 704005346 HUXRDFOEVZMGTM-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CCN(CC)C1 705004947 PZKWKOJNXKGIBV-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C#C[C@H](N[C@H](C)c1cccc2ccccc12)C(C)(C)C 705318864 YIQJGOZOISIGOD-KDOFPFPSSA-N 265.400 4.538 30 10 CJEE CCCCCCC[C@H](C[C@H](C)C(F)(F)F)NC 705453948 MXJAMIQIRLEMHU-NWDGAFQWSA-N 253.352 4.523 30 10 CJEE C=CC[C@H](C=C)OC[C@H](NCCC)c1ccccc1Cl 709541899 NTMNMIZABZYRQD-YOEHRIQHSA-N 293.838 4.528 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CC2CCOCC2)C1 711248949 NQZSEIGLPRERJN-UHFFFAOYSA-N 263.425 4.549 30 10 CJEE C=CCCC[C@@H](NCCC)c1cscc1Cl 711527931 CKIIMESQLWXZLU-CYBMUJFWSA-N 257.830 4.799 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)cc(Cl)c1 715011955 WMWVORMAMJWSII-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 715795470 MJBMQSNVLJRMQG-HZMVEIRTSA-N 265.485 4.887 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC3(CCC3)CO2)C1 716347468 WAAHHVFXHCLRJN-NUJGCVRESA-N 275.436 4.836 30 10 CJEE C=CCCC(C)(C)NCc1cc(Br)ccc1C 717748277 JHNJRBXZPWZXCN-UHFFFAOYSA-N 296.252 4.592 30 10 CJEE Cc1cc(Oc2c(C)cc(Cl)cc2C)c(C#N)cc1N 721052336 BXONBRXHTPYUKE-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE C=C1CCC(CC(C)(C)[C@@H]2CC[C@H](C)C[C@H]2O)CC1 724604346 OSYQINSBBJFCLG-USXIJHARSA-N 264.453 4.946 30 10 CJEE C(=NNc1cccc2cccnc12)c1ccc2ccccc2c1 1082989087 HVNMOTDZVCFBFH-UHFFFAOYSA-N 297.361 4.834 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1oc2ccccc2c1C 1125328440 FDKDOSZQYUJYKD-ZDUSSCGKSA-N 285.387 4.521 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CCC1 1125600305 SBPZNATVLZAFTH-IXDOHACOSA-N 291.479 4.557 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)C2CCCCCC2)CCCC1 1127860430 VOXIUXZWIRGNME-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)OC2CCC(F)(F)CC2)CCCCC1 1131698566 HFYSDHCOXNJUML-UHFFFAOYSA-N 286.362 4.634 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2ccccc2)cc1OC 1178581772 ZVDUTLNELGKBBU-IBGZPJMESA-N 295.426 4.807 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 1180301411 NNXIUZAVIVCYIE-CVEARBPZSA-N 286.419 4.914 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C)[C@@H](C)C1 1182327418 TUZSKIPPPDFNHS-RNIPGJKVSA-N 271.448 4.588 30 10 CJEE CCCCCCCCN(C)Cc1sc(C)nc1C 1206171520 NVLRXOBIVJYMOM-UHFFFAOYSA-N 268.470 4.552 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccccc1 1266420588 FEHZSVLWIKKPIP-SZMVWBNQSA-N 285.431 4.636 30 10 CJEE C#C[C@H](N[C@H](C)CCc1ccccc1)c1ccc(Cl)cc1 1308797025 USDMMIOONQCJBK-BEFAXECRSA-N 297.829 4.625 30 10 CJEE C#Cc1cccc(NC(=O)c2ccc(C3CCCC3)cc2)c1 1351887323 IJWZXIZXJQYRGV-UHFFFAOYSA-N 289.378 4.578 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@@H](c2ccccc2)C(C)C)C1 1461020295 WMNVDKKPEPTQFA-NZSAHSFTSA-N 271.448 4.761 30 10 CJEE C=CCN(CCc1ccccc1)CCc1ccc(C)c(C)c1 1461980882 IEDZGVODNNQUOK-UHFFFAOYSA-N 293.454 4.577 30 10 CJEE C=CCC[C@H](C)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 1462053722 PDIXFWMICFDQQW-ZFWWWQNUSA-N 285.353 4.933 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCC1CCCCC1 1468787251 ONZPQFXSRIHJBG-HZPDHXFCSA-N 294.483 4.779 30 10 CJEE C#CC[C@@H](NCc1ccccc1SCC)c1ccccc1 1473330974 DLROBCBXILNHLY-GOSISDBHSA-N 295.451 4.653 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 1474232961 FTFJWKFEEFGVPE-MJEQTWJJSA-N 275.823 4.662 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 1474744210 GSJIBJXGRUQDPU-KBXCAEBGSA-N 291.866 4.922 30 10 CJEE C=C(C)CCC(=O)Nc1nc(/C=C/c2ccccc2)cs1 1529248121 UIGDYJYNYDOTEP-MDZDMXLPSA-N 298.411 4.608 30 10 CJEE C=CC(C)(C)CCCNC(=O)C(C)(C)CC(C)(C)C 1534159348 RMBVGACCWTZPOB-UHFFFAOYSA-N 267.457 4.557 30 10 CJEE C=CCCCC(=O)N(c1ccccc1)C1CCCCC1 1534783437 HGSYQAHIWPPGGP-UHFFFAOYSA-N 271.404 4.709 30 10 CJEE C=CC[C@H](CC)NC(=O)Cc1ccc(C2CCCCC2)cc1 1540098545 XGZWOAWGACBXGZ-IBGZPJMESA-N 299.458 4.748 30 10 CJEE C=CCCCCCN(C)Cc1cccc(Cl)c1F 1559553980 QDKYJHRTTUNLMS-UHFFFAOYSA-N 269.791 4.657 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@@H](C)CC1 1564863440 APZVKANQJICDLN-QGZVFWFLSA-N 294.483 4.735 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCCC[C@H]1C)c1ccccc1 1585434779 IEKJBUUOJJBYBH-MJGOQNOKSA-N 299.458 4.918 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C\c1ccccc1Cl 1588035470 GIKZGGMTVBKPIE-SEYXRHQNSA-N 291.822 4.604 30 10 CJEE CCCCOc1ccc(C#Cc2cc(C)ccc2C)cc1 1614825768 NOISOVPUTSYXFY-UHFFFAOYSA-N 278.395 4.882 30 10 CJEE C=CCCCN(CC)C(=O)[C@H](c1ccccc1)[C@@H](C)CC 1616680753 OHDPDEXZPJBIHN-WMZOPIPTSA-N 287.447 4.631 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(OCCC)c(F)c2)C1 1621465027 UYOVHYSKJRSROH-KBPBESRZSA-N 277.383 4.771 30 10 CJEE C=CCC1(C(=O)N2CC(C3CCCCC3)C2)CCCCC1 1636654106 WFYIIBWRPGIRBM-UHFFFAOYSA-N 289.463 4.552 30 10 CJEE C=CC[C@@H]1CCN1C(=O)[C@@](C)(CCC)CCCCCC 1640141837 SWHUACPVAIXNKE-AEFFLSMTSA-N 279.468 4.940 30 10 CJEE C=C(CC)CNC(CC)(CC)c1ccc(Cl)cc1 1642024697 BDDKCDRNJAUVHD-UHFFFAOYSA-N 265.828 4.911 30 10 CJEE C=CCCCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 1643944854 FALLGZOHKDAOPL-OAHLLOKOSA-N 279.374 4.501 30 10 CJEE C=CCC[C@H](CCC)NCc1cc(Cl)ccc1C 1653205951 JVBZIDRYYMYBLW-INIZCTEOSA-N 265.828 4.873 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[C@@H](c2ccccc2)O1 1655044393 CGDIWAJLLLGTPV-GTAWCEEGSA-N 299.458 4.631 30 10 CJEE C=CC[C@H](C)NCc1cc(F)ccc1N(C)CCCCC 1655631845 HKZNVKNWOILPCX-HNNXBMFYSA-N 292.442 4.506 30 10 CJEE C#Cc1ccc(CN[C@@H](CCC(C)C)C(C)(C)C)cc1 1656509524 WFVLSXXPWLLDEG-SFHVURJKSA-N 271.448 4.608 30 10 CJEE C#Cc1cccc(N(C)Cc2cc(Cl)sc2Cl)c1 1657206323 STIVRPWDZHCIGG-UHFFFAOYSA-N 296.222 4.673 30 10 CJEE CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 1658287836 FKEFSSHVVUVRDL-ZYSHUDEJSA-N 284.447 4.814 30 10 CJEE C=C[C@@H]1CCCCN1C[C@H](C)c1ccc(C(F)(F)F)cc1 1659040561 NHIYJERPKAERNL-XJKSGUPXSA-N 297.364 4.849 30 10 CJEE C#Cc1cccc(CN[C@H](C)CCCCCCC)c1 1665004903 NNVSXFPNWLSUKO-MRXNPFEDSA-N 257.421 4.507 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CCCC1 1665229673 OCYZBWOJWWXSJA-ZSXDVEMLSA-N 287.491 4.927 30 10 CJEE CCCC1CCC(CN(CCC#N)C(C)(C)C)CC1 1878368107 LMJDTMMFVJXDHS-UHFFFAOYSA-N 264.457 4.607 30 10 CJEE CCCCCCCCCCOC[C@@]1(N)CC[C@H](C)C1 1880892273 GHUCAKXDKNYVLH-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CC#CCCCC[C@@]1(CNC(C)C)CCCC[C@@H]1C 1885237979 RMKMGNFPTNDOOL-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)CCC(C)C 1886691171 NANMXGGDHNFSRL-KRWDZBQOSA-N 296.455 4.742 30 10 CJEE CCCCCCCCN(C)c1ccc(CO)cc1Cl 1887109550 JDPNHLWNYZNXRC-UHFFFAOYSA-N 283.843 4.629 30 10 CJEE C[C@H]1CCCCC[C@@H]1N=C1NC2(CCCCC2)CCS1 1911867136 MQKULXHHWOLJTN-GJZGRUSLSA-N 294.508 4.741 30 10 CJEE C[C@@H](c1cccs1)N(Cc1ccccc1)C1=CC(=O)CC1 1915378909 QRAZJHJBPAAFOF-AWEZNQCLSA-N 297.423 4.558 30 10 CJEE C=CCCCCC[C@@H](O)c1cnc(Cl)c(Cl)c1 1917217296 ZMQSDRRHEFVNER-GFCCVEGCSA-N 274.191 4.558 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@H](C)CCC(C)C 1919400784 AOTOUNDIIGTTJG-WBVHZDCISA-N 270.457 4.739 30 10 CJEE C#CCCC[C@@H](O)c1ccc(-c2ccccc2Cl)s1 1919688473 FFXJPSYEHVOZDD-CQSZACIVSA-N 290.815 4.905 30 10 CJEE CCCCCCC[C@@](C)(O)C1(C#N)CCCCC1 1921092340 JKJPMMBNBQNTBE-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(C#N)CC[C@@H](CC)C1 1921093548 NIJRJYPWLBVLHL-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE CC[C@H](CC(F)F)C[C@]1(C=O)CCCC12CCC2 1921597830 JBJWAPXQOLXIAA-DOMZBBRYSA-N 258.352 4.597 30 10 CJEE CCCCCCC[C@@H]1NC[C@H](C(F)(F)F)C[C@@H]1C 1922671695 UHLSWQAWNAFTQB-XQQFMLRXSA-N 265.363 4.523 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CC[C@H](C)CC 1926060598 MRONWKVIWQSHGQ-MSOLQXFVSA-N 284.532 4.822 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@H](CS)C2CCC2)C1 1936795419 FBTOXCHXLPLUBK-XBFCOCLRSA-N 258.496 4.644 30 10 CJEE CCCC1CCC(C#N)(CC2(C)CSC2)CC1 1947405637 BWZQQEBMHLHXCD-UHFFFAOYSA-N 251.439 4.630 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC12CCCC2 1954883850 SAZXPPUBBJEENP-GOSISDBHSA-N 269.432 4.645 30 10 CJEE C=C(C)CCOCc1cccc(Br)c1Cl 1957688926 OISPHVYRFCUHGS-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE C=C(Br)CCSc1ccc2c(c1)CCC2 1959648991 XIAWFIKJIPHANE-UHFFFAOYSA-N 283.234 4.566 30 10 CJEE N#Cc1ccc(OC[C@H]2CCCC3(CC3)C2)c(Cl)c1 1968455149 ODVMSZVNRGWBAP-ZDUSSCGKSA-N 275.779 4.561 30 10 CJEE Cc1cc(NCc2ccc(C)c(C#N)c2)c(C)cc1Cl 1969318850 IYEFJFHHJQEUBF-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE C=C(Br)CCN(CCCC)C1CCCCC1 1970381199 WGXRUUOTXTTZCR-UHFFFAOYSA-N 288.273 4.720 30 10 CJEE O=C(C=C1CCCC1)c1ccc(Cl)c(Br)c1 1983532301 LUVRUFPTFJGRPE-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CC1CC(Nc2ccc(Cl)c(Cl)c2F)C1 1992075780 TZBUNVJIHZEPNF-UHFFFAOYSA-N 260.139 4.509 30 10 CJEE O=CC1(Cc2cscc2Cl)CCCCCCC1 2007846737 YWQKUKYRSPRKEJ-UHFFFAOYSA-N 270.825 4.874 30 10 CJEE CC=C(C)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 2007856207 FIHMXRUQIWYMAZ-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE CC(C)C1(C[C@]2(C#N)CCS[C@H](C)C2)CCC1 2017128717 GJJHGSMHYDSDTF-KGLIPLIRSA-N 251.439 4.628 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@H]2CC[C@H](C)CC2)CCS1 2017746809 OOMAPNRQAKRLIB-TUVASFSCSA-N 251.439 4.628 30 10 CJEE CC#CCCCCNc1cc(Cl)c(F)c(Cl)c1 2019506375 VJYOKMWNIWXJMT-UHFFFAOYSA-N 274.166 4.738 30 10 CJEE CCCCC#CCNc1c(C)cc(Cl)cc1Cl 2024343931 CQRDIWVTKHSQNS-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE CCCCCCCC[C@@H]1NCCc2ccsc21 2026316241 JENFEJXGLLMJAW-AWEZNQCLSA-N 251.439 4.686 30 10 CJEE C#CCCN(Cc1sccc1Cl)C1CCCCC1 2028936106 PSWPPIPXCAWODO-UHFFFAOYSA-N 281.852 4.560 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@]12CCCC[C@H]1CCC2 2031760997 SQGSTJURRLUKAI-HRCADAONSA-N 269.860 4.858 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H](C(F)F)CN1 2034501404 DFSVXUBTPSSQGW-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCS[C@@H]1CCCCCCCC[C@@H]1NCCC 2035891497 LLCJWCZVCHVWKI-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCC2(CC2)C1 2038580205 SXRBRLMUPORGBO-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 2040318635 HCJKHLOLNIWKSB-ZETCQYMHSA-N 296.144 4.971 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc2cc(F)ccc2s1 2040520005 VSVFZWZBAPJZHA-BONVTDFDSA-N 264.365 4.676 30 10 CJEE N#CC1(C[C@H]2CCC[C@H](C(F)(F)F)C2)CC=CC1 2042095839 GAHQDWKGRTUBLJ-RYUDHWBXSA-N 257.299 4.605 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)c1ccc(C(C)(C)C)s1 2045763223 GXFZBBTUMYVSTL-QWHCGFSZSA-N 263.450 4.662 30 10 CJEE CCCCCCC[C@@H](N)[C@H]1CCCCCC1(F)F 2046368508 VXEAQKKNGOVTDB-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1[C@H]2CCCCC[C@H]21 2048333385 HVGVLKGKXRZBJS-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C=O)CCCC(C)(C)C1 2049493792 VMBSBZIUYSCLFY-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=CCC[C@H](C)[C@]1(CNCC)CCCC(C)(C)C1 2049511351 LFOLDGWKESTRFQ-DOTOQJQBSA-N 251.458 4.785 30 10 CJEE CCCC[C@@](C)(C#N)Cc1cnc(C(C)(C)C)s1 2052780287 CKAUIILRJFGENV-OAHLLOKOSA-N 264.438 4.703 30 10 CJEE C=C[C@@H](C)C[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2053067738 BQYIVWZMSKURTE-PRHODGIISA-N 277.717 4.571 30 10 CJEE CC(C)(C[C@]1(C=O)CCCCC12CCC2)C(F)F 2053409572 ANIOXKPAOQNGAP-HNNXBMFYSA-N 258.352 4.597 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc3ccccc3s2)CC1 2060914120 PTMJCURDFJOSSU-NSHDSACASA-N 256.370 4.830 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCS1 2063419440 NDQNWVHVWSYUCZ-LJIZCISZSA-N 263.450 4.628 30 10 CJEE C=C1CCC(C[C@](CC)(CNCC)C(C)C)CC1 2064483160 BMGUETLPEJHOHN-QGZVFWFLSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@]1(CNC)CCCC(F)(F)C1 2065222028 SMBJERBYYRVAMQ-CQSZACIVSA-N 261.400 4.762 30 10 CJEE C=C1CCC(C[C@@]2(O)CCC(C)(C)C[C@H]2C)CC1 2075725578 UHYCWDWPICAZLE-PBHICJAKSA-N 250.426 4.700 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CCCC[C@H]1F 2076538820 NZNBGCUCODGDMS-ZIAGYGMSSA-N 276.461 4.800 30 10 CJEE CCCN(CC[C@@H](C)CCS)C1CCCCCC1 2076546897 IGUBPBYTYQODRY-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCCCCCCCN[C@H]1C[C@@H]1C1CCCCC1 2079528005 IVHGQVQZPGUUEL-SJORKVTESA-N 251.458 4.905 30 10 CJEE CCCCCCCN(C)C[C@H]1C[C@@H]1C1CCCC1 2079570906 QYLQEAAMCMYTIP-IAGOWNOFSA-N 251.458 4.715 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCCC 2079722533 CBRZESPLNHWOMQ-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE C=CCCCCCC[C@H](N)c1cnc(CCC)s1 2085842636 SVDNMAYOGOUJRQ-ZDUSSCGKSA-N 266.454 4.622 30 10 CJEE C=CCCCCCC[C@@H](O)c1c(C)oc(C)c1C 2085850718 YLQHWMKQLZZTOH-OAHLLOKOSA-N 250.382 4.765 30 10 CJEE C=CCCCCCC[C@H](NCC)C1(C(F)F)CC1 2085851754 KPLAHVTYDJMVBJ-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1CCCC[C@@H]1C 2085854268 NBONODVERYHVNM-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCCSC1 2086279335 SEKLBOJXNSPAEO-INIZCTEOSA-N 269.498 4.636 30 10 CJEE C=CCCCCCCCCC1(C(=O)OC)CCC1 2086281760 ZNPKTXJYUMJLJM-UHFFFAOYSA-N 252.398 4.637 30 10 CJEE C=CCCC[C@H](NCC)c1ccccc1C1CCC1 2089542616 OCRQWMCNFWXQJM-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C[C@H](CC1(C#N)C[C@@H]2CC[C@H](C1)S2)c1ccccc1 2089753520 WNTKNJHDBARJQA-KTFSGNIMSA-N 271.429 4.748 30 10 CJEE CC1(C)C2CCC1(Nc1ccc(Cl)cc1C#N)CC2 2094452385 AYQJEKRYLNJKQC-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE Cc1ccsc1[C@@H](C)N=C1NC2(CCCC2)CCS1 2095313902 IFGWZAWNRPKRPK-GFCCVEGCSA-N 294.489 4.513 30 10 CJEE C=C([C@H](NCC)c1csc2c1CCCC2)C(C)(C)C 2096635502 ZHKBIJGSFTVFRY-INIZCTEOSA-N 277.477 4.880 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1C(F)(F)C12CCCC2 2097330269 RVOBVBVCJCNKNC-ZIAGYGMSSA-N 273.411 4.760 30 10 CJEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CC(C)C1 2100330845 NEEWOJSWCKOVCD-XWFMALBVSA-N 298.213 4.531 30 10 CJEE C=C(COCC)[C@H](NCC)c1cc2sc(C)cc2s1 2100331577 UDWMPMAZGHQACX-HNNXBMFYSA-N 295.473 4.515 30 10 CJEE C=CCCCCCCNC1CC2(C1)C[C@H]1CC[C@H]2C1 2100409542 KROVWIZLIDWUJL-VYMRPNJYSA-N 261.453 4.681 30 10 CJEE CC1=CCC[C@H](C)[C@@H]1[C@H](C#N)Nc1ccccc1Cl 2100945019 IURHNQSBOPRBOE-VBNZEHGJSA-N 274.795 4.636 30 10 CJEE C=C1CCC(Nc2ccc(C(F)(F)F)cc2F)CC1 2101167849 ZWJMJWUPNNXIOF-UHFFFAOYSA-N 273.273 4.755 30 10 CJEE CN(CCCCCCCCCS)C[C@@H]1CC[C@@H]2C[C@H]21 2101719115 CLKXYSGHQPIIIR-IXDOHACOSA-N 283.525 4.625 30 10 CJEE CCC[C@@](C)(C#N)[C@]1(O)CCCC2(CCCCC2)C1 2108205608 BHUPAZAFQDUWEK-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cc(C)ccc1OC 2108209444 ZEPOCJVPDKXIMZ-KRWDZBQOSA-N 259.393 4.656 30 10 CJEE C=CCCOCC[C@](C)(CCCC)CNC(C)(C)C 2108209584 UAAQCCIHCZKZRM-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CCc1ccccc1C[C@@]1(C=O)CCCC(C)(C)C1 2112213215 AZYWUGBXWIHNQA-SFHVURJKSA-N 258.405 4.577 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CCCCCC#N 2112226745 TULDCMILPVOMEL-CVEARBPZSA-N 264.457 4.607 30 10 CJEE C[C@@H]1CCC[C@H]([C@@](C)(C#N)Nc2ccc(Cl)cc2)C1 2112270423 ZMSPZHADYNZQRZ-DVOMOZLQSA-N 276.811 4.860 30 10 CJEE CC1CCC(C#N)(C2(O)CCCCCCCC2)CC1 2112445779 IUQIULUDKQDUDM-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE C=C[C@H](C)C[C@@H](CCc1ccc(Cl)cc1)NCCC 2116655600 HKSCLLIIWYYSEN-WMLDXEAASA-N 279.855 4.853 30 10 CJEE CCCCCCCCCC[C@@H](N)C=C1CCOCC1 2120460477 DPXGQMYXKKJXTP-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@@H]2C(F)(F)F)CC1 2125181503 UBUBPBNODLLCDZ-UTUOFQBUSA-N 274.326 4.527 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@H]2CC[C@@]3(C2)CC3(F)F)CC1 2125192359 JHTBBZNKDZAMCE-OSAQELSMSA-N 268.347 4.518 30 10 CJEE C=C1CC([C@H](CC2C[C@@H](C)C[C@H](C)C2)NCCC)C1 2125665183 GKIQNZQXSXVNKV-DEYYWGMASA-N 263.469 4.783 30 10 CJEE C=C1CC(CC[C@@H](NCCC)c2ccc(C)cc2)C1 2125744410 MIHSXTHVZXPIRS-GOSISDBHSA-N 257.421 4.782 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2C(C)=CCC[C@H]2C)C1 2125745083 TZALWCPMKRWJEA-NJAFHUGGSA-N 261.453 4.703 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1(F)CC2(CCC2)C1 2127951121 ALCXOCMRCUGLHS-HUUCEWRRSA-N 267.432 4.629 30 10 CJEE C=C[C@H](NC1CCC2(CCCCCC2)CC1)C1CC1 2129271240 BKULUVAZPKLVEM-KRWDZBQOSA-N 261.453 4.824 30 10 CJEE CSc1cccc(N[C@H](C)C2(C)CCCC2)c1C#N 2131219523 SBMYUGCRRBGUNF-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CCc1ccc(C#N)c(N[C@H](C)C2CCCCC2)c1 2132316191 YZNFVIPPBUWLRS-CYBMUJFWSA-N 256.393 4.501 30 10 CJEE C=CC1(CNC[C@@H]2[C@H]3CCCCC[C@H]32)CCCCC1 2132975824 PNXXNGUOLGVXDU-FVQHAEBGSA-N 261.453 4.539 30 10 CJEE C=CC1(CN[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CCCCC1 2132982462 BXQNKSDFADCAPK-QBPKDAKJSA-N 263.469 4.783 30 10 CJEE CC1=CC(=O)[C@H](C[C@H]2C[C@H]2C2CCCCCC2)CC1 2135701330 CMMUPCSWMSLWRF-ULQDDVLXSA-N 260.421 4.908 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1CCCC12CCC2 2138956999 QVIBUQHEOOLTMR-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(F)ccc1Cl 2138988598 XKBIYACMODBZTN-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H](C)C1CCC1 2138991034 QMDHSPCJTCLSPT-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCCCC#CCN(C)C1CCC(CCC)CC1 2139034929 FQNDZGHVUHKYSY-UHFFFAOYSA-N 263.469 4.861 30 10 CJEE CCCC1CCC(C=O)(CC2C3(CC3)C23CC3)CC1 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CCCCCCCCC[C@H](C)NC[C@@]12CC[C@@H](CO1)C2 2295672762 APINDQYGZCPKDI-KSZLIROESA-N 281.484 4.674 30 10 CJEE C=CCC(CC=C)C[C@H](N)c1ccc(Br)cc1 2301061816 BEPAAFPHRYHFQO-HNNXBMFYSA-N 294.236 4.607 30 10 CJEE C=C(C)C[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2302878233 NGGNQUGTIAAKTQ-AWEZNQCLSA-N 272.219 4.610 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cscc1C 2304027330 HSFABSGKYZSXFV-LSDHHAIUSA-N 251.439 4.700 30 10 CJEE CC(C)C[C@H](CS)COc1cc(Cl)cc(Cl)c1 2308052573 BHXUCCHDIZVKFO-JTQLQIEISA-N 293.259 4.964 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2CC[C@H]1C2 2308574453 NCFRWASKEFUMCR-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1CF)NCC 2310952733 HDJQBZGKRDDMDV-JYJNAYRXSA-N 257.437 4.711 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1cc(C)cc(Cl)c1 2313649295 WUZWHBBKMWWCDP-IUODEOHRSA-N 283.868 4.607 30 10 CJEE C=CC[C@H](C)Sc1c(C)sc(CNC2CC2)c1C 2313704462 LDYFIMCWXAZOAX-JTQLQIEISA-N 281.490 4.674 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(Cl)c1 2315465839 PRARDTNFEZQXMR-IOASZLSFSA-N 263.812 4.735 30 10 CJEE C=C(C)C[C@@H](Cc1cccc(Cl)c1C)NCCC 2319289225 QSSDLUYNSCFHQA-HNNXBMFYSA-N 265.828 4.525 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(C)cc1SC 2319607425 YUSXDABQDDSGOP-OAHLLOKOSA-N 263.450 4.853 30 10 CJEE C=CCC(C)(C)[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2321128378 RSJJWSWUKDFXPT-ZDUSSCGKSA-N 286.246 4.774 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC(F)(F)F)NCCC 2321141556 OWOBUUMSTUCKLD-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CC[C@@H](C)C(=O)OCC[C@@H](C)CCC=C(C)C 2321221907 FBAYIODCEDNZMG-LSDHHAIUSA-N 252.398 4.514 30 10 CJEE CC1(C)CC(CS)(COCc2cccc(Cl)c2)C1 2321724621 SAZISRKBOWZDAR-UHFFFAOYSA-N 284.852 4.593 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1cc(C)ccc1C 2335102279 AAJGSKBCEAZBGU-WBVHZDCISA-N 277.477 4.652 30 10 CJEE O=C[C@@]1(C(CC2CC2)CC2CC2)CCCC(F)(F)C1 2335216034 OGJVDLFWZCIOTP-OAHLLOKOSA-N 270.363 4.597 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CC(C2CCCCC2)C1 2337061433 ZHZVNUBADWZXLZ-CPFNUKBASA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2337068265 YQDAUPKMUKPYNC-RZFLPCETSA-N 261.453 4.680 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(C)c(OC)c(Cl)c1 2337680609 RUQXBGBYAPKEDP-HNNXBMFYSA-N 282.811 4.827 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(F)ccc1C(F)F 2338274435 NAEBMICUMAJPMV-CQSZACIVSA-N 271.326 4.770 30 10 CJEE C#CCN(CC=C(C)CCCC(C)C)CC(C)(C)C 2338462162 LSWBDUXJZUOEFR-UHFFFAOYSA-N 263.469 4.740 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H](C)C1CCCCC1 2338747917 VESXLRIDEXQPJI-CRAIPNDOSA-N 263.469 4.949 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1C[C@H]2CCC[C@H]1CC2 2339076739 OYXBNAUKAZQULE-MQIPJXDCSA-N 274.795 4.592 30 10 CJEE C=CC1(Nc2ccc(N)c(C(F)F)c2)CCCCC1 2339100570 ARAVSOGUMYZRGE-UHFFFAOYSA-N 266.335 4.507 30 10 CJEE C=CCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC 2339273450 SHTIUSCJYZUCCL-TVFCKZIOSA-N 261.453 4.703 30 10 CJEE C=C(C)[C@@H](NCC)[C@H](c1ccccc1)C1CCCC1 2342365679 RDZJCMWEOSSLJC-QZTJIDSGSA-N 257.421 4.515 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1C[C@@H]1C1CC1)NCCC 2344345319 MPFRBMUXJIQMGY-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)cccc1OC 2344349371 SGHWNUOWLCJZOL-JKSUJKDBSA-N 281.827 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(C(F)(F)F)C1)NCCC 2344380943 ARTRIZDQUJMTQS-GFJIZPEISA-N 277.374 4.545 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H](C)CC=C 2344456601 GNQDFQLLKLOXLV-SJORKVTESA-N 266.473 4.727 30 10 CJEE C=CCC(C)(C)[C@@H](CCCOC(C)(C)C)NCCC 2345269859 BVHJTVDAPCUFOW-OAHLLOKOSA-N 269.473 4.552 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@H](C(C)(C)C)C1 2352010257 XZNCFMNPMZUKKG-XJKSGUPXSA-N 284.465 4.746 30 10 CJEE CSc1cc(N[C@H]2CC[C@H]2CC(C)C)ccc1C#N 2353827962 NKOSQLDOAIXQIG-WFASDCNBSA-N 274.433 4.517 30 10 CJEE CSc1cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1C#N 2353834440 MZVRTUJVTCBDPN-YRGRVCCFSA-N 274.433 4.517 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358286874 WEODQMAUKYQAET-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC[C@@H]1C[C@@H]1C)NCC 2358721187 TYJJQINJQKSWCT-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CC[C@@H]1C[C@@H]1C)NCC 2358721188 TYJJQINJQKSWCT-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Nc1ccc(C(F)(F)F)c(C#N)c1 2360323960 MGGCNPCULRSPNW-UHFFFAOYSA-N 280.293 4.510 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(OC(C)C)cc2)c1 19876967 IAEBFQYHFDXZDD-HNNXBMFYSA-N 279.383 4.628 30 10 CJEE N#C[C@H]1CCCC[C@H]1Sc1ccccc1Br 37156582 OGSPCXRMNBZJDR-ZYHUDNBSSA-N 296.233 4.624 30 10 CJEE Cc1cccc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)c1 37253379 VEFHJHSVAWSAOO-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#Cc1ccc(N[C@H](c2ccccc2)C2CC2)cc1Cl 41075418 CXYQEDSORAIBJL-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc(Cl)c(F)c1 43390742 YHIJJYSBMCYUNK-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](c1cccs1)C(C)C 50429932 PKGURGAOADZXQZ-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE CC[C@@H](Nc1cccc(Cl)c1C#N)c1ccccc1 52904970 CXNDRKGQVJDGGJ-OAHLLOKOSA-N 270.763 4.775 30 10 CJEE CCCCCCC[C@H](C)Nc1cccnc1N1CCCC1 59422840 MCLQNSBAJBOZGM-INIZCTEOSA-N 289.467 4.843 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1ccc(C#N)c(Cl)c1 80140990 PTMLYZUQYDGBDJ-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE C[C@H]1CCC[C@H](SC[C@@H](C#N)c2ccccc2)C1 80800916 VVYKAHFXPIFFJG-IMJJTQAJSA-N 259.418 4.606 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1C 84984268 GTOHBXWPLKLUEG-MDZLAQPJSA-N 296.336 4.814 30 10 CJEE N#CCc1ccc(OCc2cc(Cl)ccc2Cl)cc1 87759973 JZZVXAKUCDGJTI-UHFFFAOYSA-N 292.165 4.638 30 10 CJEE SCC1(CN2c3ccccc3Sc3ccccc32)CC1 94586509 HPHAXESENUZRNS-UHFFFAOYSA-N 299.464 4.999 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)cc1F 94837075 XQGQKRLVTPJSRB-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)/C(=C\C(=O)c2ccccc2)C1 103211717 WKPZMAJNEQZHGS-CGHNEKJTSA-N 256.389 4.888 30 10 CJEE CCCCCCCOc1c(C)cc(C[C@H](N)CC)cc1C 109763245 FKWIACZXGZOGSO-GOSISDBHSA-N 291.479 4.932 30 10 CJEE CCCCCCCCCOc1c(C)cccc1C(=O)O 109970736 PZOBYDYRAJVNNJ-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CCCCCCCO[C@H](CNC1CC1)c1cccc(C)c1 110067815 OYADCVVSKIWAJJ-LJQANCHMSA-N 289.463 4.775 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1CNC 110095008 HADJBBYOBBHEGE-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCCOc1ncc(CNC(C)C)cc1Cl 110156951 HLEPFGDMJOIKGN-UHFFFAOYSA-N 298.858 4.582 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(C)(CC)CC2)C1 110265607 VSTMXVZPFXRGCU-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCn1nc(C)c([C@H](CC)NC)c1C 110267820 IPQFUGWXPKRCRV-KRWDZBQOSA-N 293.499 4.921 30 10 CJEE CCCCCCCCC[C@H](NCC)C1CCOCC1 114996967 DEKFXHIVXKUYCX-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)OCCCO2 115653068 YDRPKLCXXYIDKQ-MRXNPFEDSA-N 292.419 4.632 30 10 CJEE CCCCCCC[C@H](O)[C@@]1(C#N)CCC[C@H](CC)C1 118273980 QGPIKTDCVZGSHA-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CN)CC(C)C 122523600 VOZFEAGYWAKVQP-INIZCTEOSA-N 269.473 4.707 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CC[C@H](C)O1 122732403 NTQPPKDAQVFOIN-OKZBNKHCSA-N 298.515 4.697 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(Cl)c(OC)c1 125168385 FVVHDMCCKMSZNZ-CQSZACIVSA-N 270.800 4.743 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1C#N 126220112 FADUQNZUHLJASG-ZBFHGGJFSA-N 274.383 4.714 30 10 CJEE CCSc1cccc(N[C@@H](C)CC(C)C)c1C#N 128323378 NZVRICZFZRLJFB-LBPRGKRZSA-N 262.422 4.517 30 10 CJEE CCCCCCCOc1c(Cl)cccc1C[C@@H](N)CC 128956811 MFSLZKUDPVLZRM-HNNXBMFYSA-N 297.870 4.969 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@H](C)[C@@H]1C 129390689 LMSJXHILTBDWAP-QYZOEREBSA-N 296.543 4.836 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 129735135 OLKCVITYOAIABZ-VHSXEESVSA-N 288.193 4.585 30 10 CJEE CCCCCCCCCC[C@H](O)c1ncccc1F 131181867 RBXMNLLGENBEDL-HNNXBMFYSA-N 267.388 4.785 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)cc1C)NC 132069888 GGTJKUZHAHOMBT-KRWDZBQOSA-N 265.416 4.625 30 10 CJEE CCSc1cccc(Oc2cccc(C)c2)c1C#N 136704860 LOUHISDRUBOLQM-UHFFFAOYSA-N 269.369 4.771 30 10 CJEE Cc1cc(F)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1 160571332 VIHXKQVRNVDNAN-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE CCCCCN(Cc1ccc(C#N)cc1Cl)C(C)C 162889010 XQRPFRBUMGYAQU-UHFFFAOYSA-N 278.827 4.612 30 10 CJEE CCN(c1ccc(C(F)(F)F)c(C#N)c1)C1CCCCC1 164392611 HQQCQIIKPJLINI-UHFFFAOYSA-N 296.336 4.736 30 10 CJEE C[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C 164507259 DUHYRPFABLXLES-MDZLAQPJSA-N 297.320 4.781 30 10 CJEE C=C(C)CCSc1cccc(CNC(C)(C)C)c1 164866520 QKSWXBBXRMWLBI-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE CCCCCCCCCCNC1=N[C@@H](C)[C@@H](C)CS1 165798987 CSDUYDPXQYCXCO-GJZGRUSLSA-N 284.513 4.844 30 10 CJEE Fc1cccc(Cl)c1OC[C@@H](CS)c1ccccc1 212902582 KLDYXOCEMBWJOJ-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CC1(C)Cc2ccccc2[C@H]1Nc1cc(Cl)ccc1C#N 213101464 XINLVGFATHCWNT-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE CCCCCCCC[C@H](N)[C@]1(N(C)C)CCC[C@@H](C)C1 217538503 MBCKSOBDBBACGI-SQNIBIBYSA-N 282.516 4.575 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(C)C)cc2)C1 218350795 RSRKUYVSOUKOCY-MNEFBYGVSA-N 285.431 4.954 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CC[C@H](N)C1 226603199 HFMRJEYOOWBUKN-IRXDYDNUSA-N 281.484 4.994 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(Cl)ccc1F 229071927 YQJUKYHRAIGFED-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE Cc1ccc2c(c1)CC[C@H](CC#N)C21CCCCC1 260437127 DDZMCKKZUNSUKH-MRXNPFEDSA-N 253.389 4.673 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCC(F)(F)C1)NN 302419035 LMFZCCIVKMKOGO-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CC(C)(C#N)CCN(Cc1ccccc1)Cc1ccccc1 307142643 JYALOOSRVWUFBU-UHFFFAOYSA-N 292.426 4.629 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2C[C@H]2c2ccccc2)C1 311583378 VEOHRGNBZCHDQA-SPUZQDLCSA-N 253.389 4.900 30 10 CJEE CCCCCCCCCCCCN[C@](C)(CC)CN 312026246 WKCKEIDHRUUBTO-QGZVFWFLSA-N 270.505 4.624 30 10 CJEE CC(C)(C)CCC[C@]1(C=O)CCc2ccccc2C1 316939221 FZFGBCPYZJGGTH-SFHVURJKSA-N 258.405 4.577 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1c(Cl)cccc1Cl 317252586 NQJYSIZWZQCJAB-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCc2ccccc21 317594612 HPMOFIRCGMTQTK-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C1CCC1)C1CC1 324698224 SUXGQKNCNMKOFU-PBHICJAKSA-N 251.458 4.904 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2CCCC[C@@H]2O)CC1 328152944 DZNTXSUVZBMCNI-VUGNNNGISA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CCOc3ccccc32)C1 380049103 BUSQUGLHYXBFET-RVKKMQEKSA-N 269.388 4.663 30 10 CJEE O=C(C=C1CCCCC1)C[C@@H]1CCCCC1(F)F 382020715 APSKFOFEHUHQES-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE CCCCCCCCn1c(S)nc2cccc(F)c21 382116883 TUTXFBWCVXDMAH-UHFFFAOYSA-N 280.412 4.825 30 10 CJEE C=C([C@@H](NCCC)c1ccc(SC)cc1)C(F)(F)F 382283832 HKLFXKXXDZAXFL-CYBMUJFWSA-N 289.366 4.568 30 10 CJEE CCCCCCC[C@H](CN)N(CCC)Cc1ccccc1 383650474 NVFKDFVSRMOSAN-LJQANCHMSA-N 290.495 4.586 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(C)(C)COC 395376515 NUSURSWDDOWRIM-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE C[C@H]1CCC[C@@H](SCc2ccc(CC#N)cc2)C1 399129461 MKADCCLOLZQQFQ-XJKSGUPXSA-N 259.418 4.565 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H](C)CC(F)(F)F)CC1 402617051 IDRPFTCHTNZSBY-HSBZDZAISA-N 278.358 4.997 30 10 CJEE CCC1CCC(C=O)(CCC(C)(C)C2CC2)CC1 406109858 FYLBEDCYNXGYGH-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512630038 LFXBHSIOZMMJHH-ZBFHGGJFSA-N 296.389 4.542 30 10 CJEE N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)s1 538401200 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4.654 30 10 CJEE C=CCOc1cccc(NC(=O)C[C@@H](CC)CCCC)c1 1356051162 FNZRRSVPVHSCMX-HNNXBMFYSA-N 289.419 4.796 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1358344969 VOFWCAFKMNMZST-QGZVFWFLSA-N 273.420 4.555 30 10 CJEE CCCCCCCCC(=O)N(CCC#N)CC(C)(C)C 1360065975 UTSNESFVPLDXII-UHFFFAOYSA-N 280.456 4.525 30 10 CJEE C=CCC1(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CCC1 1439112514 UENYRBPNSLXMPE-CYBMUJFWSA-N 291.822 4.606 30 10 CJEE C=C(C)[C@H](N[C@H](C)CC(C)C)c1ccc(F)c(F)c1 1459979176 HTLYPOSXZAAMFG-WBMJQRKESA-N 267.363 4.606 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1CCC 1460845318 VNCIMIRKMDFJKD-IPMKNSEASA-N 299.458 4.506 30 10 CJEE C=CC1(CC(=O)N2CCCC(C)(C)CC2)CCCCC1 1523996728 PLXAKOOFDFCTFP-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CC1(CC(=O)N(c2ccccc2)C(C)C)CCCCC1 1527589659 USAWNONKNMTFNY-UHFFFAOYSA-N 285.431 4.955 30 10 CJEE C=C[C@H](CC(=O)NCC1(CC)CCCCC1)c1ccccc1 1528209314 KBPIFFDAZMSSQI-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=C[C@@H](OC(=O)c1cc2cccc(C)c2o1)c1ccccc1 1532387086 HHSDVKHEGSRIRN-MRXNPFEDSA-N 292.334 4.825 30 10 CJEE C#C[C@@H](NC(=O)[C@@H](C)CCCCCCCC)C(C)(C)C 1535510415 QJSWXRKZGCOSLM-JKSUJKDBSA-N 279.468 4.537 30 10 CJEE C=CCC1(NC(=O)[C@H](F)CC2CCCCC2)CCCCC1 1543288774 PZUQOKWSIVJZFE-MRXNPFEDSA-N 295.442 4.690 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1oc2ccccc2c1C 1560807863 PYJNEKKJIDQKBX-JSGCOSHPSA-N 257.377 4.747 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCN(C2CCCCC2)C1 1560937295 AKSSXOMFYGOYHU-QZTJIDSGSA-N 292.511 4.508 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)CCCCCCCCCCC 1586103846 CMKAOJMGVJVFBR-GOSISDBHSA-N 291.479 4.922 30 10 CJEE C=C(CC)CN[C@H](CCc1ccccc1)c1ccccc1 1616700295 TWKHUDIZCNLNDQ-HXUWFJFHSA-N 279.427 4.916 30 10 CJEE C=C(C)c1cccc(NC(=O)CCCc2ccccc2)c1 1616752418 SHNQWUUOGWRWBH-UHFFFAOYSA-N 279.383 4.681 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CCCC(CC)(CC)CC1 1633584331 BQOLBMWMGXOXDW-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=CCCCCN(Cc1ccsc1)C(C)(C)C 1647727885 HSKGTLHGQIXQCJ-UHFFFAOYSA-N 251.439 4.705 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccccc1CC(C)C 1648526131 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C=CCCCCCCC[C@H](NN)[C@@H]1[C@H]2CCCCC[C@H]21 2235527656 XLIXKJVWZVYPSG-XWTMOSNGSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc2c(c1)CCO2 2235541973 NJYNXPKSCJZXKT-QGZVFWFLSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCO[C@H](CCC)C1 2235768505 HUFPDGQAKXKONI-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE CC1(C)CC(C)(C[C@]2(C#N)CCc3ccccc3C2)C1 2236610668 NCRSVYBMCAFNDD-IBGZPJMESA-N 267.416 4.902 30 10 CJEE CC(C)CC1([C@H](N)C#Cc2ccc(Cl)cc2)CCCC1 2239456613 NURYOHWKHHBWRJ-QGZVFWFLSA-N 289.850 4.625 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCCCC[C@@H]1C 2239494159 AJQDJAHSZWRYGL-UXLLHSPISA-N 282.424 4.562 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccc([C@@H](C)NC)cc1 2239496531 ACRHYMOCUDWWSR-QAPCUYQASA-N 275.436 4.619 30 10 CJEE CCCCCCCCCCOc1ccnc([C@H](C)N)c1 2239508127 ROMXJBNMKUTTCY-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCCCOCc1csc(=NC)[nH]1 2239549616 RPCPUEUUTDTXKN-UHFFFAOYSA-N 298.496 4.654 30 10 CJEE C=C([C@H](NCCC)c1ccc(C)c(F)c1F)C(C)(C)C 2239624934 QDDVDOXGDHWHJC-INIZCTEOSA-N 281.390 4.916 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@](C)(CC)C1 2240561217 SHYYMZFPXRGFNR-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=C([C@H](NC)[C@@](C)(O)CCCCCCCC)C(C)(C)C 2240647058 DTNYTRIFSZRFBA-WMZOPIPTSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](CC(C)(C)SC)NCC 2250188368 FUHSTASPQIRVFP-AWEZNQCLSA-N 257.487 4.633 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1cc(Cl)ccc1Cl 2250902297 RMUSBKGSUYECEP-WDEREUQCSA-N 272.219 4.856 30 10 CJEE Fc1cc(F)cc(SCC2(CS)CCCCC2)c1 2255314503 CADWLYNONZCTNP-UHFFFAOYSA-N 288.428 4.937 30 10 CJEE C[C@@H]1CC[C@@H](CSc2cc(Cl)c(C#N)cc2F)C1 2256669263 MWSFVHYHBZDTLP-NXEZZACHSA-N 283.799 4.879 30 10 CJEE C=CCCCCCCNCCCCC[C@H]1C[C@H]1C 2257322127 LMHGEYIRGYVXPP-SJORKVTESA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@H]1[C@H]2CCC[C@@H]1C[C@@H](N)C2 2258081451 HTSDSORGMJEWLQ-DSPLQEQRSA-N 251.458 4.891 30 10 CJEE C=CCCCSc1ccc(C)cc1CNC(C)C 2259048225 DVDDZIDWRFUFKL-UHFFFAOYSA-N 263.450 4.551 30 10 CJEE C=CCCCCCCCCC1(O)CCC(F)CC1 2259174879 YPPOXKHGILIPPB-UHFFFAOYSA-N 256.405 4.936 30 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280.456 4.525 30 10 CJEE CCCCCCCCO[C@@H]1CCc2ccccc2[C@H]1NC 110083945 JYFOPESLMJZSGY-RTBURBONSA-N 289.463 4.639 30 10 CJEE Cc1ccc(Oc2ccc(Cl)cc2C#N)c(C)c1 110260602 ZZXZIZQXXDCWEU-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(CC)CC2)C1 110264209 YYVUQCBUWYMFGG-YKZJBZHWSA-N 290.495 4.996 30 10 CJEE CC(C)c1ccc(Sc2ccc(F)cc2C#N)cc1 111037335 ZNCGEWQZNZRNGD-UHFFFAOYSA-N 271.360 4.972 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)c1ccccn1 118066755 ZRTQUSVITXOHBW-HOTGVXAUSA-N 262.441 4.524 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2cc(C)ccc2o1 122381133 KJYMMWIBPGVLIM-INIZCTEOSA-N 288.435 4.996 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](OCC)C(C)(C)C 131700961 RHCJHFISAJHWPB-HZPDHXFCSA-N 271.489 4.776 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2C)ccc1C#N 133523487 ITWNSCQFYNPSHW-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCC[C@@H](O)c1ccncc1Cl 135383025 AOINZBQIYNNBGW-CQSZACIVSA-N 255.789 4.519 30 10 CJEE CCCCCCCCCC[C@@](C)(N)c1ccc(F)cn1 150162771 HNDBZTYZHQGJDP-QGZVFWFLSA-N 280.431 4.925 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(C#N)Nc1ccccc1Cl 156060546 FWCFBRKKWNXNPH-LRDDRELGSA-N 276.811 4.860 30 10 CJEE C=CCSc1ccccc1NCc1cccc(C)c1O 158055340 KEMIOYNDHKDKKO-UHFFFAOYSA-N 285.412 4.591 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](OC)C1CCCCC1 158510242 BCKMUZAMQYINQH-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](CC1CCOCC1)NCCC 162591494 JKRMACRFIANJKN-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCC1CCC(NCc2ccc(C#N)cc2Cl)CC1 162666672 MSPQGEBCJMGGOZ-UHFFFAOYSA-N 290.838 4.660 30 10 CJEE C=C(C)C[C@H](NCCC)c1csc(Br)c1 164000726 HVIYMRAWRMQREM-NSHDSACASA-N 288.254 4.518 30 10 CJEE C=C(C)CC[C@H](Cc1c(Cl)cccc1Cl)NCC 164544995 CPVFUKAZWAKGAF-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1/C=C\C(=O)O 208284863 OHDGBZXZUDQHDW-YFHOEESVSA-N 296.794 4.787 30 10 CJEE CCCN(CCC)[C@H](C#N)c1cccc(Cl)c1Cl 212987430 QNILTZMHQZEJAD-CYBMUJFWSA-N 285.218 4.680 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](O)CC 215870817 BYVWJIVWLZOQNB-OAHLLOKOSA-N 256.430 4.637 30 10 CJEE Cc1ccc(Sc2c(C)cccc2C#N)cc1C 221495823 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272.200 4.779 30 10 CJEE CC(C)(CNc1ccc(C#N)cc1Cl)C1=CCCC1 309747026 XZVIAKPVQXKOCR-UHFFFAOYSA-N 274.795 4.760 30 10 CJEE CCC(CC)(CS)COc1ccc(Cl)cc1F 310220104 KTSXQPLRRRPEPH-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCCCCCC[C@@H](Cc1sccc1Cl)NC 310249117 VVDPQDWJCXWRNT-LBPRGKRZSA-N 273.873 4.893 30 10 CJEE CCC1(C[C@@]2(C#N)CCCc3ccccc32)CCC1 311801613 KMSZPQGDFQIGKJ-GOSISDBHSA-N 253.389 4.755 30 10 CJEE C=CCCCCCCNCc1nc(C(C)(C)C)cs1 311976117 NQUSKZRAQDGLHY-UHFFFAOYSA-N 280.481 4.667 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(F)cc(OC)c1 311987714 UZUKJSGMQJMMLS-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE Cc1ccc(C#N)c(NCc2cc(Cl)sc2Cl)c1 312765674 MIQDTIZWHAKORI-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCC1CCC(C=O)([C@H]2C[C@@H]2c2ccccc2)CC1 316552472 AKIKQPCRJVVUPV-MKFDVMFOSA-N 256.389 4.576 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCC[C@@H](C)C2)c(Cl)c1 317432938 PUNKNYCCUVPKOG-CJNGLKHVSA-N 264.796 4.586 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)CCCS1 319275106 XSXWNCAIBCZRHY-INIZCTEOSA-N 271.514 4.858 30 10 CJEE C=CC(C)(C)CN[C@@H](C)CC(C)(C)c1ccccc1 384965923 OHBNXGVJMGQLLA-HNNXBMFYSA-N 259.437 4.545 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc2ccsc12 386233707 XJPLRSYAYICXFL-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=CC[C@@H](CCCCC1CCOCC1)CNC(C)(C)C 386788714 MPUGXBVEKOEBFB-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCC/N=C1/N[C@H](C)[C@@H](C)S1 386921117 PJANGVKXYDPJSE-ZIAGYGMSSA-N 270.486 4.597 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1c(F)cccc1Cl 387520185 KDUGPGCSFGHFOK-INIZCTEOSA-N 299.817 4.501 30 10 CJEE C=CC[C@@H](CC)N[C@H](CC)c1ccc(Cl)cc1 393785785 UFJRKTKFQRDNSI-HUUCEWRRSA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 395313345 PYLCVUXLBBFHIC-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE Fc1cc(SC(F)(F)F)cc(C(F)F)c1F 396096209 HAVJNYCEGWLNMW-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE Fc1cc(F)c(C(F)F)c(SC(F)(F)F)c1 396097482 IPQXYTKMOPBXKO-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CCC[C@H]1CCCN(C[C@@H](C#N)C2CCCCC2)CC1 397330867 SSOAJSLSQMEEHY-FUHWJXTLSA-N 276.468 4.609 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(C(F)(F)F)cc1 398173510 LTWMZOHTBGKWPI-LBPRGKRZSA-N 271.326 4.540 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1nc2ccccc2s1 398181037 OFLQJOAMQUUYKN-QWHCGFSZSA-N 274.433 4.692 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](O)[C@H](CC)C1 400284498 KRXMXBQCYJUTIR-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C[C@@H](CC(F)(F)F)C[C@]1(C#N)CCCc2ccccc21 402525596 RADNBINTJWEAQW-DOMZBBRYSA-N 281.321 4.763 30 10 CJEE C=CCCCSCc1ncc(-c2cccc(F)c2)o1 476996343 BEJRURLVLMXBOB-UHFFFAOYSA-N 277.364 4.680 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc2ccsc2[nH]1 669728989 FARLKVLCSPZILS-UHFFFAOYSA-N 296.395 4.600 30 10 CJEE C#CCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1 686676437 VHPHATQVUZCHKC-HNNXBMFYSA-N 285.214 4.785 30 10 CJEE C#CCCCCCNc1ccc(Cl)c(Cl)c1 686679421 APGRGMOPLYSEPC-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(C2CCC2)c1 690288120 CUCNWZWMHGVELT-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@H](C)CC(C)(C)C#N 695844673 XIBINQUGCKYLAM-LLVKDONJSA-N 284.325 4.754 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(N)cc(Cl)c1 697001288 XUMQKIFKTCHETB-OAHLLOKOSA-N 269.816 4.706 30 10 CJEE CCCCCCCCCC[C@@H](O)c1csc([C@@H](C)N)n1 697441840 FDXXYXDAIZDVBL-UKRRQHHQSA-N 298.496 4.727 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1cscn1 697915613 CKSKYCPGHNHWSI-CHWSQXEVSA-N 254.443 4.543 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Cl)cc1 706535225 MTNWNXNXVUWXGX-LBPRGKRZSA-N 251.801 4.593 30 10 CJEE C[C@](C#N)(Nc1ccccc1Cl)[C@]12CCCC[C@H]1C2 709093660 APIJVEFBWDOKSE-MAZHCROVSA-N 274.795 4.614 30 10 CJEE C[C@H](CNc1cc(Cl)ccc1C#N)CC(C)(C)C 709250064 RSOSAXVUGJYSLE-NSHDSACASA-N 264.800 4.696 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1C[C@@H]1OC 709685267 GZFOHGFZAOKWRD-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CCSc1cccc(N[C@@H]2C[C@H]3CCCC[C@H]32)c1C#N 712427266 AYWUBDYSVSUCAB-XJKCOSOUSA-N 286.444 4.661 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)ccc1Br 715722496 VRCBNEFYRHCBBY-IUODEOHRSA-N 296.252 4.620 30 10 CJEE CC[C@](C)(C#N)c1cccc(OCc2ccc(F)cc2)c1 725436216 OBMHRUVWZPQCLQ-GOSISDBHSA-N 283.346 4.596 30 10 CJEE CC(C)CCSCc1cc(Cl)ccc1OCC#N 735317795 FUDIIWDONZKLPQ-UHFFFAOYSA-N 283.824 4.522 30 10 CJEE C=CCCO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821229085 KWCAWMAVEYZRGU-HTXNQAPBSA-N 271.404 4.691 30 10 CJEE N#CCCCn1ccc2c(CCC3CCCCC3)nccc21 821289768 LNEWDJZMYJWUMD-UHFFFAOYSA-N 295.430 4.853 30 10 CJEE Cc1ccsc1C=Nc1ccc2ccccc2c1 1084016074 QPRUHLOIHLXCTE-UHFFFAOYSA-N 251.354 4.960 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(F)c(F)c1 1129416603 OFYBAFYUBNALIR-UHFFFAOYSA-N 295.373 4.611 30 10 CJEE C=C[C@H](OC(=O)c1cccc(F)c1Cl)c1ccccc1 1131134813 QMDJETRTBWVZMN-AWEZNQCLSA-N 290.721 4.563 30 10 CJEE CC#CCCCC(=O)N[C@@H](CC)c1cccc2ccccc12 1133631186 WPBRFBOEISXUON-IBGZPJMESA-N 293.410 4.601 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(F)c(Cl)c1 1197402801 VGEYOZLFXAHXCE-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CCOc1cccc(CNc2cccc(OC(C)C)c2)c1 1202504988 MHKNPJYTQJKAIP-UHFFFAOYSA-N 297.398 4.651 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 1203113540 NCFLFOBSRWJCGO-ICSRJNTNSA-N 298.474 4.511 30 10 CJEE C=CCCCC[C@@H](C)NCCc1ccc(C=C)cc1 1308776797 IUZYUDDKSFAQBM-MRXNPFEDSA-N 257.421 4.597 30 10 CJEE C=CCC[C@@H](C)Nc1cccc(COC(C)(C)C)c1 1308963216 PGIODKWJDBTTQL-CQSZACIVSA-N 261.409 4.768 30 10 CJEE C=CC1(CC(=O)N(CC2CC2)c2ccccc2)CCCCC1 1435395581 LRFYXHRTWXPDOJ-UHFFFAOYSA-N 297.442 4.956 30 10 CJEE C#CC[C@@H](NC(=O)CCC1CCCCCC1)c1ccccc1 1435595757 AESZWRWYFGQOKG-LJQANCHMSA-N 297.442 4.618 30 10 CJEE C=CC(C)(C)CC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 1436264027 KUFBIZXFEVHVLF-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=CC1(CC(=O)O[C@@H]2CC[C@@H](C)C[C@@H]2C)CCCCC1 1456641180 HBQNWLLSIGDSLS-OWCLPIDISA-N 278.436 4.881 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(C)n(-c3ccc(C)cc3)n2)C1 1461377695 NSMIMFXCIYQFPB-SJORKVTESA-N 295.430 4.646 30 10 CJEE C=CCC[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C 1462051022 QACSLFSAYUBGHX-WDYCEAGBSA-N 271.448 4.890 30 10 CJEE C=C1CCC(CN[C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 1462564345 HZWNVACOCYLMIX-JKSUJKDBSA-N 287.447 4.523 30 10 CJEE C=CCOc1ccc(CNCC2(CC)CCC2)cc1Cl 1474037884 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C#CCCCCCCOc1ccc(F)cc1Br 1651651040 XOZRCQFFSLSNPJ-UHFFFAOYSA-N 299.183 4.551 30 10 CJEE C=CCN(CCc1ccccc1)Cc1coc2ccccc12 1651985426 GBKATTSBJCPAKK-UHFFFAOYSA-N 291.394 4.664 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 1652641695 GQLFCEPRCUSTMN-BRXULGCHSA-N 293.813 4.669 30 10 CJEE C=CC[C@@H]1CCN(Cc2nc(-c3ccc(C)cc3)cs2)C1 1655175721 NEOFLTYOGPMSLC-OAHLLOKOSA-N 298.455 4.517 30 10 CJEE C=CCCc1ccccc1NCc1cc2cccnc2o1 1657233535 RQWQTIKLUDTMJR-UHFFFAOYSA-N 278.355 4.559 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1ccccc1F 1659142811 UBNXFRDLKJUNQX-GOSISDBHSA-N 275.411 4.579 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(F)c(CC)c1 1671732961 VARUDOSQVCLYEL-UHFFFAOYSA-N 292.398 4.502 30 10 CJEE CCC(CC)=NOC(=O)/C=C/c1ccc(C(C)C)cc1 1860469056 FZJHXONGISTFBT-FMIVXFBMSA-N 273.376 4.542 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(F)ccc1Cl 1879644121 MMJRNQKYHQUMIS-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC#CCCC[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C 1879649794 FHEWZZONHGZMOO-XYJFISCASA-N 263.469 4.621 30 10 CJEE 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CCCCCCCCCC[C@]1(F)CCNC1(C)C 2035990115 VUCKXFZRFMAHKF-INIZCTEOSA-N 257.437 4.997 30 10 CJEE CC(C)C[C@H](C)[C@@H](C)Nc1cc(Cl)ccc1C#N 2036390981 XSOZFJVGINPVDO-NWDGAFQWSA-N 264.800 4.694 30 10 CJEE Cc1cc(C[C@@]2(C=O)CCCC(C)(C)CC2)cs1 2039386219 QDTNGFAKAOVYFO-MRXNPFEDSA-N 264.434 4.775 30 10 CJEE C=CCC[C@H](C)[C@@H](CCC1CCCC1)NCCC 2040530076 OQMJPSOKWJJBIB-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NC 2040531739 ZVRAHZINLOGAQU-IAQYHMDHSA-N 286.246 4.726 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(Cl)cc1C 2040847911 UKPZSVBIIKKQES-BBRMVZONSA-N 263.812 4.655 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1Cl 2042871131 OZLMXOXWYZDVAQ-OLZOCXBDSA-N 264.800 4.590 30 10 CJEE CCCC[C@](C#N)(CC)Cc1cc(C)nc(Cl)c1 2045994253 UIFRGOZTBRFPHB-OAHLLOKOSA-N 264.800 4.696 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCC(C)(C)C1 2049498175 JLFPBKACLGBQGL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C#CCCCC[C@@H](C[C@H](CC)C(C)(C)C)NCC 2053232930 ABRKRIDEASGSDN-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE 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CCCCCCCCC[C@@H](N)[C@@H]1C(F)(F)C12CCC2 2093477606 VFDQECHQDDDCCI-KGLIPLIRSA-N 273.411 4.890 30 10 CJEE CCCCCCC[C@@H](NCC)c1nccc(Cl)c1F 2098065736 YENBWQCTIQEORG-CYBMUJFWSA-N 286.822 4.885 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)C1(C)CCCCC1 2101404294 TVHPBWMYYPQWLG-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE C=CCC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 2102108067 XNHFIRINOFUVGI-FJIDUMEYSA-N 265.485 4.887 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]1(C)C[C@H]1C(F)(F)F 2102396971 NGSVIFBXFVWNJW-BFHYXJOUSA-N 279.390 4.914 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2CCC(F)CC2)C1 2103346303 OKFMVSPXHZLWRC-UHFFFAOYSA-N 267.432 4.629 30 10 CJEE C=CCCC[C@@H](O)c1ccc(OC(F)(F)F)c(Cl)c1 2107097948 CZBIHZDDCTZYPQ-LLVKDONJSA-N 294.700 4.628 30 10 CJEE C=CC[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)o1 2107862490 POCNGXLQZUIROV-CQSZACIVSA-N 275.779 4.827 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2114395085 BSWOBOYGIYQZGG-ZQDZILKHSA-N 273.411 4.746 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2114413950 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CCCCCCC[C@@H](O)C[C@@H]1CC(F)(F)C12CCC2 2266090434 QUKVYQFXENZQAC-ZIAGYGMSSA-N 274.395 4.923 30 10 CJEE CCCCCCC[C@H](N)Cc1cc(OC)ccc1Cl 2268981085 UFEPBBZOFSZUHS-AWEZNQCLSA-N 283.843 4.579 30 10 CJEE CCCCCCCCC[C@@]1(F)[C@H]2CC[C@@H]1C[C@@H](N)C2 2270334203 FWTUDXZSKXHOQA-WNKDZCFJSA-N 269.448 4.983 30 10 CJEE C#CC[C@H]1CCCN1CCCCCCCCCC=C 2271463511 VTKODESQXQPAML-SFHVURJKSA-N 261.453 4.781 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CC12CCC(F)(F)CC2 2271791294 LOABDAQLEQDWFY-KBPBESRZSA-N 271.395 4.666 30 10 CJEE C=C(C)CCCCc1ccc(OCC)c(OCC)c1 2271837425 SSUHJMPZGGUHDW-UHFFFAOYSA-N 262.393 4.773 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](N)C#CC2CCCCC2)CC1 2273993816 UBKURTKEDPKGSC-NJAFHUGGSA-N 261.453 4.504 30 10 CJEE C[C@](O)(C#CC1CCCCC1)c1cc(Cl)ccc1Cl 2274073358 SHGUFKLXYKPCBU-INIZCTEOSA-N 297.225 4.785 30 10 CJEE C=C1CCC(C[C@@H](O)C2CC(CC(C)(C)C)C2)CC1 2274195654 BUNWNPABDKQVIO-OFLPRAFFSA-N 264.453 4.946 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CC 2278116162 YYVZZZJBKSAMHL-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE C=CCCCCCC[C@H](N)[C@H](O)c1csc(C2CC2)c1 2283063528 WJEKCUPSBVPSBM-DOTOQJQBSA-N 293.476 4.513 30 10 CJEE Cc1c([C@]2(C#N)CCCCC2(C)C)ccnc1C(F)F 2283120701 JGQWCKHRLZCAAC-MRXNPFEDSA-N 278.346 4.689 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccnc(C(F)F)c2C)C1 2283122342 XSIGCKAFDVQQAA-BLLLJJGKSA-N 278.346 4.689 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1cc(C)ccc1Cl 2283376833 YXIJFQUFADZFEF-DLBZAZTESA-N 297.870 4.760 30 10 CJEE CC(C)NC[C@]1(CC=CC#CC(C)(C)C)CCC[C@H]1C 2284084553 SPURUNQFBZLPBC-MJGOQNOKSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(C(F)F)cc1 2284085492 FDJBLPMMKPJEIJ-OAHLLOKOSA-N 277.358 4.620 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc(C(=O)CC=CC#CC(C)(C)C)o1 2284091273 XHZQVRNTGWERRC-KGLIPLIRSA-N 270.372 4.582 30 10 CJEE C=CCCCCCCCSc1ccnc(C(=O)O)c1C 2288442364 YYVZQYJPVUGLGS-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE CN(CC1(CS)CCCCCC1)C[C@]12CCC[C@H]1CC2 2289050852 VNIIKKBVJBKUEP-FUHWJXTLSA-N 295.536 4.769 30 10 CJEE CC[C@H]1CC[C@@](CC#CC2CCCC2)(CNC(C)C)C1 2289901526 QOFONWGNXUQVAP-PKOBYXMFSA-N 275.480 4.765 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2cccc(C(C)(C)C)c2)CC1 2290206285 MALUXGJTQDKOFN-AWEZNQCLSA-N 270.416 4.842 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)c1sc(C)c(C)c1C 2291452742 KXJVZVOQQJFYNF-AWEZNQCLSA-N 296.432 4.562 30 10 CJEE CCCCCCC[C@](C)(CC1(C)CC(C)C1)OCCN 2292665178 GHVAFRKJOMVXON-DAWZGUTISA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1occc1C 2293775144 BVSKWODKYLFPDF-INIZCTEOSA-N 279.424 4.521 30 10 CJEE CCCCCCCC[C@H](CCC(C)(F)F)OCCCN 2294141647 KIOOBGJWFRWOGQ-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@H]2C[C@H]2C1 2294568531 QBFSHMRFLAELOP-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C#Cc1ccc2[nH]cc(C(=O)[C@@H](CC)CCCC)c2c1 2295205255 QQUWAKUVPMBNSW-AWEZNQCLSA-N 267.372 4.548 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@H](N)CCC1(C)C 2295519954 MBQUEYOZVZLBQW-DLBZAZTESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@]12CCOC2 2295592844 WDDPUBLCDGRONO-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ncccc1F 2295673812 LBOWHWJBALGKGC-OAHLLOKOSA-N 280.431 4.840 30 10 CJEE C=C(C)CC=C(COC[C@@H]1CO1)[Si](C)(CCC)CCC 2297532529 RPGRKDWOFMFPCA-MRXNPFEDSA-N 296.527 4.732 30 10 CJEE CC[C@@H](C)N[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301288216 BTCLWKIQMCEJFN-XCBNKYQSSA-N 291.609 4.600 30 10 CJEE CCCCCCCCNC1C[C@@H](C)S[C@H](C)C1 2301671011 XEVZQHVVWXQPPC-ZIAGYGMSSA-N 257.487 4.609 30 10 CJEE C=CCCCCCC(=O)c1cc(OC)c(Cl)s1 2301933739 VTNNVADTVBLDEX-UHFFFAOYSA-N 272.797 4.729 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(SC2CCCC2)C1 2307111052 CAAMQZBYFQYXNQ-UHFFFAOYSA-N 251.439 4.771 30 10 CJEE C=CC[C@H](C)Sc1ccccc1[C@@H](C)NCCC 2313690893 AYSPBRIQPUKJRC-UONOGXRCSA-N 263.450 4.804 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)ccc1CNC(C)C 2313696667 XMCGAEKJFBUVKY-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)C(=O)O 2318611713 ZVYYORXILJAPFJ-AWEZNQCLSA-N 287.186 4.593 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)c(F)c1 2321115589 GGZCRAMWXYFPKJ-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC1CCCC1)NCC 2321145483 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C=C(Cl)[C@@H](O)CC[C@H](c1ccccc1)C1CCCC1 2342473255 RQYHLINWXORSCB-SJORKVTESA-N 278.823 4.854 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C 2343073195 QPRDWDHEKQNFIZ-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1cccc(F)c1 2352101727 WIMSCUMPQROBNK-INIZCTEOSA-N 283.456 4.634 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@@H](CC)CCC 2353464401 ZBWSSQUOFPAWLQ-DOTOQJQBSA-N 270.457 4.883 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358286701 SFRPRXQYBKTPET-LVQVYYBASA-N 285.422 4.782 30 10 CJEE CCn1c(-c2ccc(C)cc2)c(C#N)c2ccccc21 11805047 KTADYAIXRWNCOU-UHFFFAOYSA-N 260.340 4.508 30 10 CJEE Cc1ccc(-c2nc3c(C)cccn3c2[C@@H](C)C#N)c(C)c1 31915981 IDSANYLRVHGOOU-HNNXBMFYSA-N 289.382 4.554 30 10 CJEE CC/C(=N/Nc1nc2ccccc2s1)c1ccc(F)cc1 34107900 ROSPESIFHHKHLO-UYRXBGFRSA-N 299.374 4.662 30 10 CJEE N#Cc1ccccc1N[C@@H]1CCCC[C@H]1c1ccccc1 37203043 XDYAZHKNNVFXMF-PKOBYXMFSA-N 276.383 4.697 30 10 CJEE Cc1ccc(C#N)c(N[C@H](c2cccs2)C(C)C)c1 51580063 MAALKHUGPAFMLX-INIZCTEOSA-N 270.401 4.737 30 10 CJEE CCC(C)(C)c1sc(C#N)c(N)c1-c1ccccc1 54404435 HMIHMNYDAMMGNX-UHFFFAOYSA-N 270.401 4.557 30 10 CJEE CCc1cccc(OCC[C@H](C#N)c2ccc(C)cc2)c1 57684900 QRMDPZNVIJMERU-GOSISDBHSA-N 279.383 4.634 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)CCCc1ccccc1 57696534 HTAHQELAOSIJGI-QGZVFWFLSA-N 279.383 4.634 30 10 CJEE COc1ccc([C@@H](C#N)[C@@H](C)c2ccccc2)cc1Cl 57747048 SVGZODNZVCFFTO-WFASDCNBSA-N 285.774 4.759 30 10 CJEE CCOc1ccc([C@H](C#N)Cc2cc(C)ccc2C)cc1 57760016 CIJFURKHQRXDDY-SFHVURJKSA-N 279.383 4.552 30 10 CJEE CCc1cccc(C)c1/N=C1/N[C@H](c2ccccc2)CS1 63001165 METSYFMXMQRFIN-INIZCTEOSA-N 296.439 4.623 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 71132147 RXINTAYCEMJCMS-FZMZJTMJSA-N 297.320 4.925 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](C#N)(Nc2ccccc2)CC1 86959595 TZJOSRVJHSXSBC-QAPCUYQASA-N 270.420 4.987 30 10 CJEE CCCN[C@H](C)c1cccc(SCC2(CC#N)CC2)c1 88257337 MPLHSXMQFKCZFS-CQSZACIVSA-N 288.460 4.533 30 10 CJEE C[C@H]1CCC[C@]1(C#N)c1ccc(Cl)cc1Cl 93955753 DRXSRYSZENCVBO-TVQRCGJNSA-N 254.160 4.575 30 10 CJEE CCCC(CS)(CCC)CN(CC(C)C)C1CC1 94580413 KCUWSBDTLKKERH-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE Cc1cc(OC[C@@H](CS)C(C)(C)C)cc(C)c1Cl 94584451 YDNKCUYWLWCQIR-LBPRGKRZSA-N 286.868 4.928 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@@H](CS)c2ccccc2)C1 94585861 QTWOBXNODKUVRA-PVAVHDDUSA-N 278.461 4.685 30 10 CJEE Cc1ccc(C)c(SCC2(CS)CCCC2)c1 94588758 MXJVNLNXEAGLDK-UHFFFAOYSA-N 266.475 4.886 30 10 CJEE O=CCCc1c(Cl)cc(Cl)cc1Cc1ccccc1 95938083 VSTWJULEQCHNPW-UHFFFAOYSA-N 293.193 4.716 30 10 CJEE N#CC1(Sc2ccccc2F)CC(c2ccccc2)C1 97264991 XINXMLONYWQIHD-UHFFFAOYSA-N 283.371 4.758 30 10 CJEE CCCCCCCCO[C@H](c1cccs1)[C@@H](N)CC 109988735 DFERJNLOLIXYFP-HOCLYGCPSA-N 283.481 4.904 30 10 CJEE CCCCCCCCO[C@@H](c1ccccc1F)[C@@H](N)CC 109989065 RXVYJKNXEORXQZ-ROUUACIJSA-N 295.442 4.981 30 10 CJEE CCCCCCCCCNC(=O)Cc1ccc(Cl)cc1 110054259 VKNDTWOIOHPDEC-UHFFFAOYSA-N 295.854 4.749 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC[C@@H]1NCC 110070250 GYHIRZNEQULHRD-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](CNC1CC1)Cc1ccccc1 110182582 XXEXTOFDZOGFCZ-GOSISDBHSA-N 273.464 4.958 30 10 CJEE CC(C)Oc1ccc(Nc2ccc(C#N)cc2Cl)cc1 110253747 QEQZOMFJSIVPBO-UHFFFAOYSA-N 286.762 4.742 30 10 CJEE CCCc1ccccc1Nc1ccc(C#N)cc1Cl 110256190 BEXNHKRRHURMNS-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE CSc1ccccc1Oc1c(C#N)cnc2ccccc12 110981815 MWMSBXHCCZKZIW-UHFFFAOYSA-N 292.363 4.621 30 10 CJEE CCCCCCCOc1ncnc(Cl)c1C(C)C 111293068 DZFIFAGONOPJJM-UHFFFAOYSA-N 270.804 4.603 30 10 CJEE CCCCCCCCO[C@@H]1CC(C)(C)CC[C@H]1NCC 112847224 GKJTVUHXJZFPBT-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCc1nnc([C@@H](N)CC)o1 115862064 AOSHTKDTUUBCJI-AWEZNQCLSA-N 281.444 4.553 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cc(OC)cs1 122703082 IMCBHEKFDAMAQW-OAHLLOKOSA-N 298.496 4.792 30 10 CJEE CCCCCCC[C@@](O)(CC)c1ccccc1F 123628280 LLUJVIJGLQFXGA-INIZCTEOSA-N 252.373 4.784 30 10 CJEE CCCCCCCCO[C@H]1CCC(C)(C)[C@H]1NCC 123879724 KEFPOTUIDZFSLI-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCOc1ccc(C#N)cc1C(F)(F)F 124385307 PYKOSJIPPMQTRK-UHFFFAOYSA-N 271.282 4.536 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H](CC)c1ccccc1 125703090 WDHGLIKRASVFGX-ZWKOTPCHSA-N 259.437 4.905 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1CCCCO1 134439693 ONQLAHQZPPUEJN-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(N(C)C)c1 135437520 XAHPRWFBNDHMII-HNNXBMFYSA-N 262.441 4.914 30 10 CJEE CCSc1cccc(NCCCC(C)C)c1C#N 136661890 IRSILZHNFOROCT-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE CCCCCCCCC(O)(C(F)(F)F)C(F)(F)F 137212434 LNQWCDUDQOMJBG-UHFFFAOYSA-N 280.252 4.593 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(c1)CNC2 158064386 WJSQINJDZVEFAA-UHFFFAOYSA-N 273.420 4.613 30 10 CJEE CCCCCCCC[C@H](NC)[C@](C)(CC)OCC 159868879 SFUFDJJEZGUFPU-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccc(Cl)cc2F)c1 160862458 HMZSQPVWCLBIKG-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCNCc1cccc(F)c1Cl 166386600 WLKOUQUXBOLVTH-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE CCCCCCCCCC[C@]1(CO)CCO[C@@H]1C1CC1 166556378 WUJVWJQPGRBPIR-QZTJIDSGSA-N 282.468 4.695 30 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CC#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 250527286 QFFKEUPGLQLNPP-IXDOHACOSA-N 277.496 4.867 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCCC 252828419 JCCIBQICSYJXBE-SQNIBIBYSA-N 277.496 4.868 30 10 CJEE C[C@H](CC#N)c1csc2cc(Br)ccc12 260096613 RDLYMNNVCZRKNK-MRVPVSSYSA-N 280.190 4.681 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1CCCC[C@H]1C(F)(F)F 300258003 RWLYIMCOZICROP-MJBXVCDLSA-N 278.358 4.853 30 10 CJEE Cc1cc(Sc2ccc(Cl)c(Cl)c2)cc(C#N)n1 308298109 HKMDFGSKFMLCQD-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc2c(c1)OCC2 308495184 VABRGNODBVZMDD-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCCC[C@@H]1COC(C)(C)[C@@H]1NCCC 311705535 TULSQXICLXKEID-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE N#Cc1sc(N[C@@H]2CCCC23CCCCC3)nc1Cl 313078882 PJYAOCDMFJECFR-LLVKDONJSA-N 295.839 4.583 30 10 CJEE CCCCCCCCCCNc1cccc(CCO)c1 313139617 GSQVZUVUCMBCND-UHFFFAOYSA-N 277.452 4.774 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CCCC[C@H]1C 318084622 JWGDFDZTIWEGSF-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCCCNCc1ccc2c(c1)c1ccccc1n2CC 319431495 XFFVKRVSJVOHHX-UHFFFAOYSA-N 292.426 4.870 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)ns1 382424859 COGBVMXBLWGSCR-ZDUSSCGKSA-N 255.427 4.626 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(OC3CCC3)c2)CC1 385076468 XQCFDDSVKFEHEZ-ZDUSSCGKSA-N 270.372 4.547 30 10 CJEE CCCCCCCC/N=C1/N[C@H](C2CCCCC2)CS1 386105806 JGIKQHJUDCDCIA-INIZCTEOSA-N 296.524 4.988 30 10 CJEE C=CC[C@H](CC)N[C@@H](CC)c1cccc(Cl)c1 393756958 AGHYVHPWNNZKHD-GJZGRUSLSA-N 251.801 4.735 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OCCC)cc1 398068663 KXVQPVXZVPSHAL-CVEARBPZSA-N 275.436 4.871 30 10 CJEE C=CCC(C)(C)CNCc1ccc(-c2ccncc2)cc1F 549831057 ZIOCCQNVCXOHEZ-UHFFFAOYSA-N 298.405 4.580 30 10 CJEE CSc1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1 575339744 BBVCTBDOJMXDGE-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H](CC)CC(F)(F)F 686704489 WDZLGMAPWDQDDJ-ZIAGYGMSSA-N 277.374 4.527 30 10 CJEE CCCCCCCCCCCC[C@@H]1COC[C@H]1NC 687997817 QLFOTUACCLXXJZ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(COC2CCCC2)C1 688341970 KYSSYXDUVKEBJK-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE CC[C@H](CC(F)F)C[C@@]1(C=O)CCC[C@@H](CC)C1 688767362 PBFPXQFUYNDXFX-UMVBOHGHSA-N 260.368 4.843 30 10 CJEE Cc1cc(C)c(C#N)c(Nc2cc(C)c(Cl)c(C)c2)n1 690244136 WULUTEXRVDRSNN-UHFFFAOYSA-N 285.778 4.584 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1 691051585 YUUNZALZMTWSQZ-IAGOWNOFSA-N 256.393 4.575 30 10 CJEE CCCCCCCCCCN[C@@H]1CO[C@@H](C(C)C)C1 691317882 NVVGLAQMVFDXGP-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C2CC2)nc(Cl)n1 692252642 ODTZBLYRPVQHAO-DGCLKSJQSA-N 291.826 4.554 30 10 CJEE CCCCCCC[C@H](Cc1csc(C2CC2)n1)NCC 698868837 MOORGTLNWBRBTM-OAHLLOKOSA-N 294.508 4.902 30 10 CJEE CC1(C)CC(CN[C@@H]2CCCC[C@H]2C#N)CC(C)(C)C1 699428516 ISBDPCFIOCSYFT-JKSUJKDBSA-N 276.468 4.511 30 10 CJEE C=CC(C)(C)CCN[C@H](c1ccc(Cl)cc1)C1CC1 701883088 JEZUEPNHDXYFOD-INIZCTEOSA-N 277.839 4.983 30 10 CJEE SCC1(CN2CCCC3(CC2)CC3)CCCCCC1 702597477 JFTYOKIYMHJAKO-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712609757 PVJWENZIEZPLHV-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC[C@H](C)[C@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 715750441 UIJMUIPWKJIDRR-SCLBCKFNSA-N 273.464 4.683 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Cl)s1 715773990 NNVFJZJKLUMEBH-MFKMUULPSA-N 257.830 4.654 30 10 CJEE CCSc1cccc(N2CC[C@@H](C)C[C@@H](C)C2)c1C#N 723826657 GERQHXPLNAXASJ-ZIAGYGMSSA-N 288.460 4.543 30 10 CJEE CCCCCCCCCC1(CN)C[C@@H](C)O[C@H](C)C1 724301191 YBPKMBWRKRZCEC-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@H](N)CC1C[C@H](C)O[C@@H](C)C1 724506593 YMFUOYUZSWJFMK-ZOBUZTSGSA-N 269.473 4.658 30 10 CJEE C=C1CCC(C[C@@H](N)Cc2c(Cl)cccc2Cl)CC1 724549932 SNZPYHHXCQFNHN-CYBMUJFWSA-N 298.257 5.000 30 10 CJEE C=C1CCC(COc2ccc(Cl)cc2[C@H](C)NC)CC1 724555594 HHHIRLHQUUHYMM-ZDUSSCGKSA-N 293.838 4.746 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@H]3CC[C@H]2C3)NCC)CC1 724581585 CKXVBHKUCKIFHV-CADBVGFASA-N 275.480 4.927 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@@H]2CCCC)CCCCC1 1125775750 XOSYHQDDWMFIDF-IRXDYDNUSA-N 291.479 4.988 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(CCC)s1 1126398604 URWOPACQAFUZPY-UHFFFAOYSA-N 279.449 4.519 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](CC)c1ccc(F)c(C)c1 1127856127 XWOMVEHFYLTXGM-QGZVFWFLSA-N 290.378 4.897 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1cc(Cl)cc2ccccc12 1128598446 OMKRTMXSWZAQQX-HNNXBMFYSA-N 299.801 4.674 30 10 CJEE C=CCCCC(=O)N[C@H](CC)c1cccc2ccccc12 1133631391 YKTVBLNDHJJWQU-GOSISDBHSA-N 281.399 4.763 30 10 CJEE C=C(C)c1cccc(Nc2cc(C)cc(F)c2C#N)c1 1164310494 NJOHLJWMWODXSQ-UHFFFAOYSA-N 266.319 4.783 30 10 CJEE C=CCCCCCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C 1167461688 PEYSBZDZBLZWJD-OAHLLOKOSA-N 290.407 4.642 30 10 CJEE C=CCCCCCCNCc1cc2c(C)cccc2[nH]1 1178689497 XHWSLJVSDRNRRZ-UHFFFAOYSA-N 270.420 4.702 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cscc1Cl 1178939332 BMZYZILDHMTGOC-OAHLLOKOSA-N 291.847 4.679 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1cccc(O)c1 1181284944 IMBZNTMTPPJGHP-GJZGRUSLSA-N 261.409 4.568 30 10 CJEE C=CCCCCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1191212581 BCEHXFNRBGLVIQ-RTBURBONSA-N 271.448 4.919 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H]1Cc1ccccc1 1205981019 VMRKGENZIXIQCT-ZWKOTPCHSA-N 271.448 4.590 30 10 CJEE C=CCCCCC[C@H](C)NCc1nccc2c1CCCC2 1207527713 TXVSWXGOKHTUOZ-INIZCTEOSA-N 286.463 4.575 30 10 CJEE CC#CCCSc1nc(C2CCCCC2)cs1 1307389334 VJPDVJSXBVMLKT-UHFFFAOYSA-N 265.447 4.696 30 10 CJEE C=CCCCCN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1308703330 JGISKOBRCNDCGK-FRRDWIJNSA-N 283.868 4.839 30 10 CJEE C=CC[C@@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 1308879786 AXDJHUSWKFZKOP-XOWYPZSQSA-N 269.432 4.523 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccccc1)[C@@H]1CCCC1(C)C 1435370148 BYSSEZGUUUXHNW-GOSISDBHSA-N 299.458 4.950 30 10 CJEE C=C(C)CCC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1457494407 JZVXPTMPGKTOQV-ZIAGYGMSSA-N 293.838 4.647 30 10 CJEE C=CCCCCCCNC(=O)C[C@@H](C)c1ccccc1F 1459914108 MPDDGQCBIZRLFU-OAHLLOKOSA-N 291.410 4.572 30 10 CJEE CCCCCCCCCNCc1ncc(Cl)s1 1461007520 YBGVQCOEZHJKKQ-UHFFFAOYSA-N 274.861 4.637 30 10 CJEE C=CCOc1ccc(CNC(C(C)C)C(C)C)cc1Cl 1461326557 RHSDOTMNLBBLMN-UHFFFAOYSA-N 295.854 4.675 30 10 CJEE C=CCC[C@H](CC)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1462145928 IENSYEBLAXHTMR-XIRDDKMYSA-N 277.839 4.920 30 10 CJEE C=C(C)c1cccc(N[C@H]2C[C@@H](OC)C2(CC)CC)c1 1474741600 WTBNMZXJMSKMSW-DLBZAZTESA-N 273.420 4.725 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](C)c1oc2ccccc2c1C 1515820652 VFJUTFRUASFPAU-KGLIPLIRSA-N 286.371 4.948 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1CC 1525311874 HBLORJPPNXOGRM-RTBURBONSA-N 299.458 4.808 30 10 CJEE C=CCCC(C)(C)CNC(=O)CCCCc1ccccc1 1531448861 FYYRAMVGFZPQHS-UHFFFAOYSA-N 287.447 4.508 30 10 CJEE C=C[C@@H](OC(=O)c1ccc2sccc2c1)c1ccccc1 1532001881 NRRDIVKOCQBLGR-MRXNPFEDSA-N 294.375 4.985 30 10 CJEE C=CCC1(CNC(=O)C[C@@H](CC)c2ccccc2)CCCC1 1532544069 PEONJKDFDNZDIL-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=CCN(C(=O)CCCC1CCCC1)c1ccccc1 1532545536 TWAGFGBMJHYYFY-UHFFFAOYSA-N 271.404 4.566 30 10 CJEE C=C(C)CCNC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1533719716 KIJAVHJLGJRJDK-WUJZJPHMSA-N 291.479 4.702 30 10 CJEE C=CC1(CC(=O)N[C@H](C)c2ccccc2C)CCCCC1 1534021917 WBBOGAVPWJUWEA-MRXNPFEDSA-N 285.431 4.699 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CC(C)(C)c2c(Cl)cccc21 1539472267 HJDVHQAUWJXLNZ-QGZVFWFLSA-N 291.822 4.567 30 10 CJEE C=C(C)[C@H](NC[C@@H](C)C(C)(C)C)c1ccc(F)c(F)c1 1559766492 JBSOQGKOJXHGCB-WBMJQRKESA-N 281.390 4.854 30 10 CJEE C=CC[C@H](CC)N[C@@H](CCC)CCc1ccccc1 1560791413 JFUOBFYJHSOZOF-ROUUACIJSA-N 259.437 4.732 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C/C(C)(C)C)c1ccccc1 1589390291 HWNJDNFZTPONGY-ZWKQNVPVSA-N 285.431 4.803 30 10 CJEE C=CCCCCCN(C)C[C@H](C)C1CCCCC1 1615601423 UWRZVFLXKKZNRE-INIZCTEOSA-N 251.458 4.881 30 10 CJEE C=C(C)CCN1CCC([C@@H](F)c2ccccc2F)CC1 1617837068 PGEIQMXZKBLARJ-QGZVFWFLSA-N 279.374 4.515 30 10 CJEE C=COc1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1 1620965730 RASRLTBJXUYIFD-UHFFFAOYSA-N 292.382 4.622 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OC(F)(F)F)c(C#N)c1 1621284694 BQIWSEZSHHZSLY-GFCCVEGCSA-N 298.308 4.614 30 10 CJEE C=CCCCCCCNC1CC(C)(c2ccccc2)C1 1621323141 VMPYMJFUDMPCQW-UHFFFAOYSA-N 271.448 4.833 30 10 CJEE C#C[C@@H](Nc1cc(C(C)C)nc(C(C)C)n1)c1ccccc1 1642848468 NBTFPKXDDYXZHY-MRXNPFEDSA-N 293.414 4.510 30 10 CJEE C=CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C 1644197466 SVWFQJPOKPDBFM-HNNXBMFYSA-N 297.364 4.849 30 10 CJEE C=CCCCCCN(CC)[C@H](C)c1ccc(F)cc1 1644389101 MZQGSDIJMJVBCR-OAHLLOKOSA-N 263.400 4.955 30 10 CJEE C#Cc1ccc(NCc2cc3c(C)cccc3[nH]2)c(Cl)c1 1653189171 XBADRXQVJBQTDC-UHFFFAOYSA-N 294.785 4.723 30 10 CJEE C=CCN(Cc1csc(C2CCCC2)n1)C(C)(C)C 1654264589 QWQKDANBMBRRLG-UHFFFAOYSA-N 278.465 4.587 30 10 CJEE C=C(CC)CNC(=O)Nc1ccccc1-c1cccs1 1657593815 AYSCXUTVJUFIGU-UHFFFAOYSA-N 286.400 4.503 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc2c(C)cccc2[nH]1 1658278067 RUSCIILMRPIJRX-YJBOKZPZSA-N 282.431 4.701 30 10 CJEE C=CC[C@H](C)N1C[C@H](C(C)(C)C)Cc2ccccc21 1659773930 SFJOFBJUNNPOJH-GOEBONIOSA-N 257.421 4.676 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3C[C@H](C)CC(C)(C)C3)cc21 1660804478 LFGHUMLTBCUBNH-WMLDXEAASA-N 297.446 4.849 30 10 CJEE C#C[C@@H](N[C@@H](Cc1cccc(Cl)c1)CC(C)C)C(C)C 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PNFDIRNJCGIFMW-UHFFFAOYSA-N 257.160 4.893 30 10 CJEE C=CCC(CC=C)Nc1c(Cl)cccc1Cl 1900995673 GSJJXRSOBYQITG-UHFFFAOYSA-N 256.176 4.926 30 10 CJEE C=CCC[C@@H](C)c1cc(Br)ccc1C 1901930428 AQDCUIGNSJXQHA-SNVBAGLBSA-N 253.183 4.827 30 10 CJEE C=CCCCCCC[C@]1(O)CC[C@@H]1OCc1ccccc1 1906544733 FMNSUDCMRCZZMQ-OALUTQOASA-N 288.431 4.623 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1cccc(Cl)c1C 1913075413 JLFQTMXKEQEDPH-OAHLLOKOSA-N 279.855 4.629 30 10 CJEE N#Cc1cc(N[C@H]2CCC3(CCCC3)C2)ccc1Cl 1916414383 DLLFYBPDYVHCMB-AWEZNQCLSA-N 274.795 4.736 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)c(F)cc1F)[Si](C)(C)C 1922867350 DPHLYKUKCGNWFK-MRXNPFEDSA-N 297.465 4.748 30 10 CJEE C[C@@H]1CC[C@@H](C2CCC2)CN1CC1(CS)CCCCC1 1924187864 MCYDMKQRALYCTN-NVXWUHKLSA-N 295.536 4.767 30 10 CJEE CCCC(CS)(CCC)COC1(C)CCCC1 1941744473 DJFAEECZDPMIKC-UHFFFAOYSA-N 258.471 4.852 30 10 CJEE C=CC[C@@H](C)[C@](C)(N)c1cc(Cl)cc(Cl)c1F 1949010347 BKURQZLRVSAQDR-OQPBUACISA-N 276.182 4.519 30 10 CJEE C=C(Br)CCO[C@@H](C)CCCCCC 1956005566 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C=CCCCCCC[C@H](NCCC)[C@H]1CCOC[C@H]1C 2206903349 RICLTZWFMGIGDX-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc2ccccc2n1 2206987930 AQQZRVGLWDNKDQ-GOSISDBHSA-N 269.388 4.795 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(O)CC[C@H](C)C1 2207376074 WGPXMWSTBPPGPR-WMZOPIPTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCN1CCOC[C@@H]1C(C)(C)C 2207377944 KGGWIJAHKXJBMS-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCN(C)C1CCC(OC)CC1 2207381586 JWBYKPCEMYITBH-UHFFFAOYSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCOCC1(NC)CC(C)(C)C1 2207388633 ACBQXVKGMSKSSE-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCOC[C@@H](N)c1ccccc1 2207426545 CVTRFJVLWUQXJA-GOSISDBHSA-N 275.436 4.620 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1cc(C)ccc1Cl 2207460356 ZDQKNGNMSZWONC-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1csc(Cl)c1 2217128102 YRNXSOCFHAOTCL-NWDGAFQWSA-N 271.857 4.524 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCCC1(F)F 2220089459 QFBRFTBBHBWZAA-KGLIPLIRSA-N 260.368 4.699 30 10 CJEE CC1(C)CC=C(C(=O)C2C[C@H]3CCC[C@H](C2)C3)CC1 2225283899 IXKUEIGDZBUYGM-KBPBESRZSA-N 260.421 4.908 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1cc2ccccc2s1 2225418494 QTZXTSKOOVYXHT-CQSZACIVSA-N 271.429 4.601 30 10 CJEE C=CCCCCCCC[C@@]1(N)C[C@H]2CC[C@H]1C21CC1 2227276543 SADXYPDOIQHMQG-SOLBZPMBSA-N 261.453 4.811 30 10 CJEE C=CCCCCCCCOc1ccc(C#N)cc1F 2227291563 RXQFCSLBLVISME-UHFFFAOYSA-N 261.340 4.603 30 10 CJEE CCCCCCCCOc1ccsc1CNC1CC1 2229215532 KGQCWEZZDQGIAF-UHFFFAOYSA-N 281.465 4.739 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CO[C@H](C(C)C)C1 2231930353 VLVLNGWBCMVTEF-ULQDDVLXSA-N 269.473 4.529 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233656542 NTQISBFGJCZHFE-QMHWVQJVSA-N 285.422 4.638 30 10 CJEE C=CCCCCCCCCOc1cc(CO)c(Cl)cn1 2234054415 SOQPBSUZQQNHPK-UHFFFAOYSA-N 297.826 4.523 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1CCC(SC)CC1 2235541310 GXXLSTZWZNRTKT-OFLPRAFFSA-N 298.540 4.657 30 10 CJEE C=C(CNC(C)(C)C)CSC12CC3CC(CC(C3)C1)C2 2238151719 SNHWFSDCDLEFSG-UHFFFAOYSA-N 293.520 4.633 30 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C=CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@H]1C(F)(F)F 2240145014 RCHKHFWDOWOTNM-LXTVHRRPSA-N 291.401 4.936 30 10 CJEE Cc1cccc2c1CC[C@H]2Nc1ccc(Cl)c(C#N)c1 2240171234 BNPUEHPRVQSEGP-QGZVFWFLSA-N 282.774 4.620 30 10 CJEE C=C1CC(COc2ccc(Cl)cc2CN[C@H](C)CC)C1 2240199788 AHPUUHRTNINYQW-CYBMUJFWSA-N 293.838 4.573 30 10 CJEE C=CC[C@@H](CCCC(F)(F)C(F)(F)F)CNC1CCC1 2240413104 RLECFWYYPYJUOM-NSHDSACASA-N 299.327 4.689 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1COCCC1(F)F 2240617364 DNCUDTSOPFXEQB-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C=O)CCCC[C@H]1C 2257303971 POFPBRUBUXHGON-NCOADZHNSA-N 250.426 4.988 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)CCCSC1 2259176648 POOLSHODVHSPLD-INIZCTEOSA-N 269.498 4.634 30 10 CJEE CCCCCCCCCCN(CC1CCC1)OC 2260373077 PFPHOYVBHOBXNK-UHFFFAOYSA-N 255.446 4.791 30 10 CJEE CC1CC2(C1)CC(S[C@H]1C[C@H](C)CC[C@H]1C#N)C2 2260475523 RXWNPYJJNJTTDQ-KEHOHFNQSA-N 263.450 4.627 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2C[C@@H]2C1 2263707512 CDCVPRAWBIJPAV-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CC(F)(F)C12CCC2 2266285840 FTGKISNJTLFHKM-RDBSUJKOSA-N 270.363 4.597 30 10 CJEE CC(C)(C)C#CC=CCNc1ccc(C2CC2)cc1 2268753644 ZUYKMLYWHAKVFN-UHFFFAOYSA-N 253.389 4.582 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@@H]1CCCCC1(C)C 2268823655 LNDHFLMSJWSAPB-JKSUJKDBSA-N 261.453 4.526 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CC12CC(F)(F)C2 2271834037 YNFUDSOTJIBSIF-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C(CCC)CCC 2273978841 WBPGJTMCGWQDCN-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CC(C)(C)c1ccc([C@@H](N)C#CC2CCCCC2)s1 2274003077 WIILOOVWEGEHAY-AWEZNQCLSA-N 275.461 4.629 30 10 CJEE C[C@@](N)(CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2274171179 LNUYMXGHPAPXQB-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE C=C1CCC(C[C@H]2[C@H](O)C(C)(C)CCC2(C)C)CC1 2274564840 NHNUGMWKLFRYIB-HOTGVXAUSA-N 264.453 4.946 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)CC)OCC(=O)O 2275432059 PRWDFOLJVPOHLE-HOCLYGCPSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H](C)CC(C)C 2276781501 HDJZXWUCWJPYSX-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CCCCCCCCN=c1[nH]c(C(F)(F)F)c(C)s1 2278084016 PXUBKZNOVMIGAH-UHFFFAOYSA-N 294.386 4.665 30 10 CJEE C[C@H]1CCC[C@@H](CCN(CCC#N)c2ccccc2)C1 2279815193 MJMXPCDWCHCJAU-IRXDYDNUSA-N 270.420 4.623 30 10 CJEE CC[C@](C)(CCC=C(C)C)Oc1c(F)cccc1C#N 2280430718 DSNORFPGSNNWEE-QGZVFWFLSA-N 275.367 4.991 30 10 CJEE Cc1cc(OCCCC[C@@H]2C[C@@H]2C)c(C)c(C)c1C#N 2280460014 QHXBFPQCANMENJ-BLLLJJGKSA-N 271.404 4.689 30 10 CJEE CSc1cccc(NCC[C@H]2CCCC23CC3)c1C#N 2281385466 VZPUQMLZIRVPSM-CYBMUJFWSA-N 286.444 4.662 30 10 CJEE CCCCCCCCCCOC[C@@H](N)[C@@H]1CC12CCC2 2283691347 RDSGOEQGHXNJHY-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CC1(C)CC(CSc2nc(C(C)(C)C)ccc2C#N)C1 2283787183 JUKNDKNDKSFMTF-UHFFFAOYSA-N 288.460 4.779 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@@H]1CCCCC(F)(F)C1 2284137087 KGPJRLMHGQHMGH-CABCVRRESA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C[C@@H]1CCCCC12CC2 2284140952 ANZLYIHXPXTNRK-IRXDYDNUSA-N 274.448 4.704 30 10 CJEE CC(C)=CCC[C@@H](C)CCOCc1cccc(C#N)c1 2285057180 JRVRCOFLBVQNOT-MRXNPFEDSA-N 271.404 4.847 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H](C)C(C)(C)N 2286839467 DBGLZNPNILCTDQ-DLBZAZTESA-N 283.500 4.808 30 10 CJEE C=C(C)CCCCC(=O)[C@@](O)(CC)c1ccc(Cl)cc1 2287373196 SSKXWPZLDOMOCN-QGZVFWFLSA-N 294.822 4.643 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)cc1 2289715896 UDDVHTRNGUSWGR-SFHVURJKSA-N 289.850 4.964 30 10 CJEE CC(C)NC[C@]1(CC#CC2CCCC2)CCCC[C@@H]1C 2289924618 MBJCYNCTZKQEBE-PKOBYXMFSA-N 275.480 4.765 30 10 CJEE CCCCCCCC1(OCC(=O)O)C[C@H](C)C[C@@H](C)C1 2290917936 MJKJDWHBLNGIID-HUUCEWRRSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H](C)C1)OCC(=O)O 2291013460 FUOFQXLKPZUXTP-BZUAXINKSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](CC1(CC)CC1)OCCC(=O)O 2292353624 RNPSBTYZCLRKCG-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@@H](CC1CCCCC1)OCC(=O)O 2292717711 SDCATBZXVJEFEO-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCN)CCS[C@H]1C 2292795651 HYDUFQXIRVSPHT-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1scc(C)c1C 2292804542 RCEAIBNEWKUPDK-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE Cc1ccc2[nH]c3c(c2c1)CCCC3=NCc1ccccc1 2293092081 WHGHCLLUXRGSAY-UHFFFAOYSA-N 288.394 4.802 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(Cl)c(C)c1 2293112265 SZUBPTJHQHJNRR-SUMWQHHRSA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCCC[C@@H]1F 2293189202 GFMZEBPKTFITCQ-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=CCCCCCCCCCC1(OCCCN)CSC1 2293587349 DSNPUGAGUHFYSE-UHFFFAOYSA-N 299.524 4.534 30 10 CJEE CCCCCCCC[C@@H](CCC1CC(F)C1)OCCN 2293873700 PGABZSZZTXHLOY-JCYILVPMSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](OCCN)c1cccc(C)c1F 2294370047 RQYGXIDWTNJCTJ-INIZCTEOSA-N 281.415 4.511 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC12CCCC2 2294564498 FTNQJHQJFQUWMT-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCC(=O)c1c(Cl)cc(OC)cc1OC 2294907266 KJDZIXKCSGXCCH-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE C#Cc1ccc2c(ccn2Cc2ccc(C)cc2Cl)c1 2295175425 MWLNEMRNLVDGAE-UHFFFAOYSA-N 279.770 4.633 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@@]12CCOC2 2295676208 IRYRJORFHBLQPR-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H](C)[C@H](C)CC 2295677778 DRCLAVCSCVZZKY-XDNAFOTISA-N 285.516 4.888 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccc(F)cn1 2295680365 YIBNAIZTCCZQQP-OAHLLOKOSA-N 280.431 4.840 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CC[C@H]2CC[C@H]1O2 2295681313 FZWMTHXARLQYCE-XMTFNYHQSA-N 281.484 4.815 30 10 CJEE CCCC[C@@H](CC)CSCC1CC(C#N)(NCCC)C1 2295762830 BSYCNFNTSVWGAJ-KLAILNCOSA-N 296.524 4.608 30 10 CJEE COc1ccc(C(=O)C=C(C)Nc2cccc(C)c2C)cc1 2297351418 MAEVJOMTACABLR-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C#N)CCCSC2)C1 2304428378 MPDJFCISBVVYPJ-HIFRSBDPSA-N 251.439 4.630 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(F)F 2308732490 SIQBVIJRASANIH-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1C[C@@H](SC)C1 2314262792 NRGAXMBKWDYNEU-XHSDSOJGSA-N 271.514 4.857 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ncc(Cl)s1 2316751798 HZEDDDCWCKXJQH-CYBMUJFWSA-N 284.856 4.606 30 10 CJEE C=C[C@H](C)C[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2319573348 AZRYIOXORFBUJL-QPUJVOFHSA-N 277.717 4.571 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(C(C)C)C1)NCCC 2321115850 HOTWSVRNMFBZBT-ZGRYLRDCSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)cc1CC 2321144226 GQAPZWKVMRXXIG-HNNXBMFYSA-N 265.828 4.765 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CCC(C)(C)C(F)(F)F 2321167376 PBQXFAOENLRLPE-CYBMUJFWSA-N 264.331 4.917 30 10 CJEE C[C@H]1CCC[C@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321553034 RPTAEOUHAKHOAU-RYUDHWBXSA-N 262.315 4.505 30 10 CJEE CCCCCCC[C@@](C)(SC[C@@H](C)CC)C(=O)O 2326905379 ZPTCDSBDSMQZHO-DZGCQCFKSA-N 274.470 4.970 30 10 CJEE CC[C@@H]1CCCCCN1C[C@](C)(CS)C(C)(C)C 2327096232 LDIXGQUCEXYSIH-GDBMZVCRSA-N 271.514 4.623 30 10 CJEE C=CCC[C@@H](C)Cc1cccc(CC(F)(F)F)c1 2327818301 ZJCSIJCKLCRXPR-GFCCVEGCSA-N 256.311 4.936 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(F)F 2333365172 FCNKWJBYNDGBOA-RBSFLKMASA-N 273.411 4.782 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)[C@H](C)CC(C)(C)C 2338252647 NCUHANKMXFHFDP-ZBFHGGJFSA-N 277.477 4.540 30 10 CJEE CC(C)c1cnccc1C(=O)C1=CCCCCCC1 2338562294 IJXJCDBEOVJYIX-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)[C@@H](C)C(C)C 2340208265 JSXBMWXPBIZJDE-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE C=C(C)CC[C@@H](N)[C@H](c1ccccc1)C1CCCC1 2342362387 QCCLLWYCVJINPW-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE C=C[C@@H](C)N(C)[C@H](CC)c1ccc(C(F)(F)F)cc1 2343887499 OJNLYEGJMCFUCX-BXUZGUMPSA-N 271.326 4.663 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)c(F)c1 2344358500 VQGXXLHFDUZPAA-MEBBXXQBSA-N 287.781 4.871 30 10 CJEE CC(C)O[C@H]1CCC[C@H]1C1(C#N)CCC(C)(C)CC1 2344801763 LVIDGDIHNMVPTM-CABCVRRESA-N 263.425 4.690 30 10 CJEE CC(C)(C)[C@](C)(CS)Cn1ccnc1C1CCCC1 2352118216 ZMTBIGOLZOQZSW-INIZCTEOSA-N 280.481 4.523 30 10 CJEE Cc1cc(Cl)c([C@@H](O)C#CC2CCCCC2)c(Cl)c1 2353080694 OBCZGAZWVDDJDQ-HNNXBMFYSA-N 297.225 4.919 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1F)OCCCN 2360106957 DIODFKOJBOFNEM-IKGGRYGDSA-N 287.463 4.609 30 10 CJEE Cc1cc2nc(/C=C/c3cccc(C#N)c3)sc2cc1C 14176904 SJELOINBEWBYHZ-VOTSOKGWSA-N 290.391 4.955 30 10 CJEE CC(C)c1ccccc1/N=C1\NC[C@@H](c2ccccc2)S1 35082582 IXYMWMQQGGUVHH-KRWDZBQOSA-N 296.439 4.875 30 10 CJEE Cc1cccc(Oc2ccc(C(F)(F)F)cc2C#N)c1 37334084 SXEWSCUBXQNGHT-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(C#N)Nc1ccccc1F 37938867 YGMHTKCQQOGDRQ-WBVHZDCISA-N 274.383 4.736 30 10 CJEE Cc1ccc(OCCC[C@](C)(C#N)c2ccccc2)c(C)c1 57687501 CWLNLIZXPLXRGE-HXUWFJFHSA-N 293.410 4.944 30 10 CJEE Cc1cc(OCCCC(C)(C)C#N)cc(C)c1Cl 57713607 ZDNGYXAUVQFHBR-UHFFFAOYSA-N 265.784 4.666 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C(=O)OC)cc1 59095457 YXDIIKGEQLULOO-AWEZNQCLSA-N 277.408 4.634 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CC(=O)O)c1cccs1 59462097 LJFFWLKVUOVCQI-UONOGXRCSA-N 297.464 4.603 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(=O)O)c(F)cc1F 59469365 JODQATIXWNQZSK-NSHDSACASA-N 299.361 4.824 30 10 CJEE Cc1cccc(Sc2nc3ccccc3cc2C#N)c1 71390699 BOBRCOUTNBTZPQ-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=C(c1ccccc1)[C@@H]1NCCc2ccc(C(C)C)cc21 83667613 QREXCLYFIIJIOX-FQEVSTJZSA-N 277.411 4.710 30 10 CJEE Fc1ccc(SCCCCCCS)cc1F 87096800 VYLWXEDYPVCKSP-UHFFFAOYSA-N 262.390 4.547 30 10 CJEE CCCCCCCCCC[C@](C)(O)CCNCCC 91468107 KTYTVCZUWWRVRU-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CC[C@@](O)(C(C)C)C1(C#N)CCC(C(C)(C)C)CC1 91878490 OOCVLGWHFVFRAL-BDVYOWHSSA-N 265.441 4.530 30 10 CJEE Cc1cc(C)c([C@@H](O)C2(C#N)CCCCCC2)c(C)c1 91882195 CEDQGIQLBKVVBU-QGZVFWFLSA-N 271.404 4.509 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(Cl)s2)CC1 91883372 PXGKORRCBVUNBZ-IWXRYERYSA-N 283.824 4.545 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Sc1ccccc1Br 93955911 QLMCRTHYPOEORU-GXFFZTMASA-N 296.233 4.624 30 10 CJEE C=CCC[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547253 JAWRGMCEABRLPM-MFJUZZNBSA-N 261.453 4.537 30 10 CJEE CCC[C@@H](CS)COc1cccc(C(C)(C)C)c1 94584368 RHEDEGQVKTWQBN-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE CCCCCCC#Cc1ccc(C[C@@H]2CCCC2=O)cc1 100078011 FGBAMJSOEIQGGB-IBGZPJMESA-N 282.427 4.920 30 10 CJEE CCCCCCCC[C@@](C)(CCC)CNCCOC 104010711 QJAHUCSEFBVTQI-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@@H](C)NCC 112637930 MPIDEOZZSGGCLD-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCOc2ccccc21 115844299 ROJHIIFQYVRJSM-DOTOQJQBSA-N 275.436 4.631 30 10 CJEE CCCCCCCCCCCC(=O)NC(CC)(CC)CO 115858842 WXGYXZNHUKZCRT-UHFFFAOYSA-N 299.499 4.575 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)CCO[C@H]1C 125313438 QPFNIYHPOVNAPM-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CC(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1 125714585 CVOGWLLNUJPYDW-SJORKVTESA-N 293.410 4.566 30 10 CJEE CCCCCCCC[C@H](NN)C1CCC(CC)CC1 126728540 JARVBCUQMLMMQI-JCYILVPMSA-N 268.489 4.785 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cc(F)ccc1F 126746435 BURLJACFNMKGTK-MRXNPFEDSA-N 283.406 4.975 30 10 CJEE CCCCCCCCC[C@H](N)c1csc(C)n1 139483956 REWQYRIEMZLPKV-ZDUSSCGKSA-N 254.443 4.592 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(Br)cn1 140166857 CXGNBDMGYDNJPA-ZDUSSCGKSA-N 299.256 4.595 30 10 CJEE C=C(C)C[C@H]1CC(C)(C)CC[C@H]1CNCC(C)C 156327767 CYEHPJCIWSCJPJ-HOTGVXAUSA-N 251.458 4.641 30 10 CJEE Cc1ccc(-c2ccc(C#Cc3ccc(O)cc3)s2)s1 197005465 PXWLXMMHSJTAFM-UHFFFAOYSA-N 296.416 4.890 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccc(O)cc1 215466162 NWEVSFDOWDMTHS-QGZVFWFLSA-N 264.409 4.740 30 10 CJEE C=CCCCCCCCCOc1cccc(C=O)c1 217539975 HJRKMEAFARGBHD-UHFFFAOYSA-N 260.377 4.795 30 10 CJEE CCCCCCCCCn1ccc2cccc(CO)c21 229669441 AIMRDVJJUCEQDX-UHFFFAOYSA-N 273.420 4.884 30 10 CJEE C=CCSCCN[C@@H](C)c1cccc(Cl)c1Cl 231930355 ZZCOPKATJRSAPX-JTQLQIEISA-N 290.259 4.563 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1ccc(Cl)cc1 233282935 XOQBRLUTNQBBFI-MFKMUULPSA-N 253.798 4.760 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccc(Cl)cc1 235510975 VEGDZMCHWIJYFT-ZDUSSCGKSA-N 251.801 4.737 30 10 CJEE Cc1ccc(Nc2c(F)cc(F)cc2Cl)c(C#N)c1 235902123 WBEAYGLFKWUEJK-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)C[C@H]2CC[C@H]1C2 250796896 BDVGVNVMMPIHIZ-GBESFXJTSA-N 295.511 4.779 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]([C@H](C)N)C1 250835964 UXXHNQNJCKRCJI-OALUTQOASA-N 296.543 4.967 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(CCC(C)=NO)cc1 252461819 XJPXDKPEIYJNNS-FUHWJXTLSA-N 289.419 4.817 30 10 CJEE Cc1sc(NN=Cc2cccs2)nc1-c1ccccc1 254443758 AWDSAJYBMPMVJZ-UHFFFAOYSA-N 299.424 4.626 30 10 CJEE aggregator CC(C)(C)c1ccc(C=NNc2nc3ccccc3o2)cc1 254866332 GFHBQFDXOKYVIN-UHFFFAOYSA-N 293.370 4.571 30 10 CJEE COc1ccc([C@@H](C)C#N)cc1C1CCC(C)CC1 260878304 SBIUBYNTUMIJFX-MOKVOYLWSA-N 257.377 4.616 30 10 CJEE C=CCCCCCC(=O)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 300277881 CZDFZDZUOVJOCC-QRQLOZEOSA-N 268.400 4.668 30 10 CJEE CC1(C)OB(/C=C/c2cccc(Cl)c2Cl)OC1(C)C 307185195 RRZGZROATJIPOK-CMDGGOBGSA-N 299.006 4.638 30 10 CJEE CO[C@@H]1CCC[C@H](C2(C#N)CCC(C(C)(C)C)CC2)C1 312730994 WCSJJIPGMJYTNE-BNQMIIOLSA-N 277.452 4.938 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)[C@H](C)C2CCCCC2)C1 313176854 JZOKGLGITUSOFP-AHCXZYCDSA-N 277.452 4.674 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(CC#N)c1 313439303 QUNWOKHOGWYWAP-IRXDYDNUSA-N 270.420 4.769 30 10 CJEE O=C[C@@]1(CCC2CCCCC2)CCCc2ccccc21 317165808 FDNXARJUDKFGIB-IBGZPJMESA-N 270.416 4.820 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2c([N+](=O)[O-])ccc(Cl)c2C)C1 380280999 BIQKJAAXZLBEIA-NHYWBVRUSA-N 292.766 4.528 30 10 CJEE C=CCCCCCCNC[C@H]1CSc2ccccc21 382037000 SSSJYYAXLPMXIA-HNNXBMFYSA-N 275.461 4.602 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CCCCC2(F)F)C1 382047115 FFEKWOPJLAZZBC-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(C)CCCCC1 382133221 YEOCNKFHVCWRKK-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE Clc1ccc(C#Cc2cccs2)cc1Br 383447100 AYNCZDIALIWXEZ-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE C#C[C@@H](NCC1(CC(C)C)CCCC1)c1ccccc1 394442145 KXZMAKFXYCFTTG-GOSISDBHSA-N 269.432 4.557 30 10 CJEE N#CC[C@H](Nc1ccc(C(F)F)cc1)c1ccccc1 395455088 VSHJXLRPPXXHOA-HNNXBMFYSA-N 272.298 4.691 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCCC[C@H]1C1CCCCC1 395500409 KDGSOYLQNLXXHQ-DLBZAZTESA-N 263.469 4.927 30 10 CJEE N#C[C@H](CNc1ccc(F)c(Cl)c1)C1CCCCC1 397137878 JIPUKXMVHGQFRD-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE N#CCc1cccc(N[C@@H]2CC[C@@H](c3ccccc3)C2)c1 449692180 ANBPENCJJNWMAK-IEBWSBKVSA-N 276.383 4.501 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 464439003 NOOCEEKOJDULMQ-LSDHHAIUSA-N 299.414 4.945 30 10 CJEE C/C=N/Oc1ccc(OCCCCCCCCC)cc1O 585668867 XYZJGIYGMIWDAQ-JJPRUIFNSA-N 293.407 4.906 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC1(C)C 613902158 YEAJPERJEANJBH-INIZCTEOSA-N 285.431 4.913 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(O)C1(C#N)CCCCCC1 691117135 IUCYRHLJRIJTID-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CC2(CCC2)C1 691921227 PPFXGNWZVYXEJS-MRXNPFEDSA-N 266.473 4.539 30 10 CJEE C=CCCSCCN[C@H](C)c1ccc2c(c1)CCCC2 696063887 UVXTXBGKDVCSCI-OAHLLOKOSA-N 289.488 4.525 30 10 CJEE C=CCC1(n2c(S)nc3ccc(Cl)cc32)CCCC1 700640494 NIVOAZKSQUYOGU-UHFFFAOYSA-N 292.835 4.824 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OC[C@@H](CS)C1CC1 701998974 XZQXMNUFRNURTM-AWEZNQCLSA-N 278.461 4.627 30 10 CJEE SC[C@@H](COc1ccccc1-c1ccccc1)C1CC1 702020526 XRNHKJUVBGCHIB-MRXNPFEDSA-N 284.424 4.688 30 10 CJEE C[C@H](N(C)CC1(CS)CCCCC1)[C@]12CCCC[C@H]1C2 709263048 PCTJMVLWXBPUHF-XYJFISCASA-N 295.536 4.767 30 10 CJEE CCCC1CCC(C=O)(CC[C@H]2C[C@H]2C2CC2)CC1 714965718 YOISNMIPLKTYAM-YCHGYYGWSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(F)ccc1Cl 715767494 DJZDZJNXQJANOL-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=CCCCCCNCCc1ccc(Cl)c(Cl)c1 716303466 VHVCOHAEJBJYRN-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(C2CC2)s1 716529882 AGQYAUMKABRPAE-CYBMUJFWSA-N 251.439 4.986 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2F)C2CC2)c(C)c1 821229098 LBOZODXYYWOKAG-XUTLUUPISA-N 297.373 4.773 30 10 CJEE Cc1ccccc1N=Cc1ccc(C(C)C)c([N+](=O)[O-])c1 1084314139 ZYFVSSLYTBCKIB-UHFFFAOYSA-N 282.343 4.777 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCC[C@H](F)C1 1129529875 WUWRIXYOJSAXPM-CVEARBPZSA-N 283.431 4.548 30 10 CJEE C=CCC1(NC(=O)c2cc(C)c(Cl)cc2C)CCCC1 1131040599 KXLISJCUMRSZKI-UHFFFAOYSA-N 291.822 4.576 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CCC[C@H]2CCC)CCCC1 1131111254 BTXRYXKKVGSZMM-IAGOWNOFSA-N 291.479 4.846 30 10 CJEE C=CCC1(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CCCC1 1131251380 HGZYWSNPLAGZGI-HOTGVXAUSA-N 291.479 4.844 30 10 CJEE C=C1CCC(C(=O)N(C)Cc2ccc3ccccc3c2)CC1 1135235872 KMYWRNACWUNSGU-UHFFFAOYSA-N 293.410 4.545 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 1160477788 QKRZJGTXDSKFAF-CQSZACIVSA-N 298.213 4.527 30 10 CJEE C=CCN(Cc1cc(C)nc(Cl)c1)CC1CCCCC1 1167391266 GAXWVZGXHFIRFU-UHFFFAOYSA-N 292.854 4.612 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(C3CC3)c(C3CC3)c2)C1 1183065405 KTAKJNLZEZDFHT-HNNXBMFYSA-N 281.443 4.839 30 10 CJEE C=CCCC[C@@H](NC1CC2(CO[C@@H](C)C2)C1)c1ccccc1 1183550594 JQMOFCNDAHKRIA-OXHPOLQJSA-N 299.458 4.631 30 10 CJEE C=C(C)[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)c(F)c1 1307698986 RBYPSGRSGYKUCB-ONUSSAAZSA-N 291.385 4.608 30 10 CJEE C=C(C)c1cccc(NC(=O)NCc2ccc(C)cc2C)c1 1311297631 AUNJNEDVKLJXNI-UHFFFAOYSA-N 294.398 4.658 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C(C)=C\c1ccc(Cl)cc1 1357587498 SDSYZOZBHQRBIY-WUFNSSIPSA-N 291.822 4.604 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C=C1CCC(C)(C)CC1 1437623669 YGOPPDTVNUKZJE-IRXDYDNUSA-N 289.463 4.764 30 10 CJEE C#CCN(C(=O)[C@@H](C)CCCCCCCC)C(C)(C)C 1462857897 JIOBXJQMRHATTH-INIZCTEOSA-N 279.468 4.633 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@]2(C)CC=C(C)CC2)c1 1463259709 WQUWNGUBSNGELV-SFHVURJKSA-N 269.388 4.795 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCCC(C)(C)C2)CCCCC1 1469822270 KVIYHSRNNMKUMQ-OAHLLOKOSA-N 292.467 4.533 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 1471246559 IDBBRJCQVNFKJB-HUUCEWRRSA-N 294.483 4.587 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc3ccccc3c2)C1 1473982957 NUQGIRXZMHYZNF-HNAYVOBHSA-N 265.400 4.674 30 10 CJEE C=CC(C)(C)CCNCC1CCC(CCC)CC1 1474218997 OEERLTPJOYBCNK-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C=C(C)CCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 1518345208 SZJPMHJQMAULIK-AWEZNQCLSA-N 285.387 4.699 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccc(-c2ccc(CC)cc2)o1 1530641928 UABLKYPRWJPTKB-MRXNPFEDSA-N 297.398 4.594 30 10 CJEE C=CC(C)(C)CNC(=O)[C@H](CCC)CC1CCCCC1 1532582183 PNPYJTBKSPZGAQ-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=CCOc1cccc(NC(=O)C(C)(C)CCCCC)c1 1534966477 QSROPCHMYKYRKG-UHFFFAOYSA-N 289.419 4.796 30 10 CJEE C=CCCCN(CC)C(=O)c1cc2cccc(Cl)c2o1 1537364302 OHJMYAXFJQCZCQ-UHFFFAOYSA-N 291.778 4.515 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1540702550 QMYLPKIEUGWTMO-KSSFIOAISA-N 287.447 4.980 30 10 CJEE C=CC[C@@H](C)Nc1nc(-c2ccccc2)c2ccccc2n1 1559107165 SOXPWBXBEZZCKZ-CQSZACIVSA-N 289.382 4.673 30 10 CJEE C=C(C)c1cccc(Nc2ncnc3ccc(F)cc23)c1 1559297876 XGWNVZAYPBCMMR-UHFFFAOYSA-N 279.318 4.546 30 10 CJEE C=CCCCN1CCCC[C@@H]1c1cccc(C)c1C 1559563380 VSLVHYSRPYMWMO-GOSISDBHSA-N 257.421 4.797 30 10 CJEE C=CCC[C@H](NCc1ncccc1Cl)c1ccccc1 1559695827 JBOITQDYXHXQLC-INIZCTEOSA-N 286.806 4.532 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1 1560871136 ZCQGLEROIZQXAI-PBHICJAKSA-N 295.854 4.752 30 10 CJEE C=C[C@@H](CC(=O)N1CCC(CC)(CC)CC1)c1ccccc1 1567793646 NLTIMZGVVABIQE-KRWDZBQOSA-N 299.458 4.775 30 10 CJEE 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2129526637 ZHNRNTSKGTTYQS-CHWSQXEVSA-N 296.505 4.696 30 10 CJEE CC(C)(C)c1ccccc1C[C@]1(C=O)CCC1(C)C 2131978747 HCYCKTORMDUSAX-SFHVURJKSA-N 258.405 4.532 30 10 CJEE C=CC1(CN[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)CCCCC1 2132980360 BBGKNWVFTSPWOQ-JZXOWHBKSA-N 261.453 4.537 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1C[C@@H]1C1CCCCC1)NCC 2135624239 QUPKQYNNJOEADW-DZOHQFGASA-N 263.469 4.783 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1CCCC(C)(C)CC1 2138964725 ZADNSIXVVQAYSL-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1C=CCCC1 2138981744 PHLSGRXEUWCOTJ-ZWKOTPCHSA-N 261.453 4.685 30 10 CJEE CCCCCC#CC[C@](C)(N)c1c(F)cccc1Cl 2139008443 MDDDCCICWDWRJD-INIZCTEOSA-N 281.802 4.627 30 10 CJEE CCCCCCCCC(=O)[C@@](C)(N)C1CCCCC1 2139323579 XFZXSDNIIRVWMH-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE C=CCCCCCC[C@H](COC(C)(C)C)NCCC 2141904950 GXEPRNZZXHTQQY-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCN[C@@H](C)Cc1ccccc1C 2141919363 PGPNGUCTUCUWNI-KRWDZBQOSA-N 259.437 4.652 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CC(C)(C)CO1 2142392853 PPUYXRFAJWJVSO-INIZCTEOSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2142436148 UERDYMXUMSGZJM-PCCRXHMLSA-N 262.437 4.556 30 10 CJEE C=CCCCCCCCCCOCCC1(N)CCC1 2142436716 XHHPHZBLJGUFPW-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]2C[C@H]21 2142443254 FURXHXGJDQMHRZ-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1(OC(C)C)CC1 2142443742 LPQCOUBJEIDVSC-MRXNPFEDSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@@H](C)CC)NN 2142447053 GFJFLFWXOGYWGM-DLBZAZTESA-N 268.489 4.951 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H]1C[C@H]1CC)NN 2142450516 MDNRNGDANBZMIL-BRWVUGGUSA-N 266.473 4.561 30 10 CJEE CCCCCCCCC(=O)[C@@](O)(CCC(C)C)C1CC1 2147196296 ARGRHDWVCDAOEC-GOSISDBHSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CC(C)(C)CC)NC 2148027188 FWCOUVHTHNLJER-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@]1(O)CCCC1(C)C 2148584765 YNSKXMNIGKSIIX-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(O)CCC[C@H]1C 2148623912 FEJXSCMBGFZMHT-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CCCC1(C)CC1 2148724104 DRDKESCXMPMYEI-DLBZAZTESA-N 283.500 4.786 30 10 CJEE C=CCC1(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCC1 2149107351 VDOUWOUVPDXHSC-KBPBESRZSA-N 289.385 4.834 30 10 CJEE CCCCCCCCC[C@@]1(N)CCOCC12CCCC2 2149676598 QPGAILIEZMDUPO-GOSISDBHSA-N 281.484 4.805 30 10 CJEE O=C(CC#CC1CCCCC1)[C@@H]1CCC[C@H]1C(F)(F)F 2149858088 OWJRYRUCEOPAGR-ZIAGYGMSSA-N 286.337 4.508 30 10 CJEE C=C1CCC(C[C@H](CCOCCC(C)C)NCC)CC1 2151124684 CPMLHABUOMOWPJ-SFHVURJKSA-N 281.484 4.554 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)C(C)(C)C1CCCCC1 2151475378 GPIQZZZJZGZPRS-KYJSFNMBSA-N 277.452 4.674 30 10 CJEE C=C([C@H](NC)[C@H](O)CCCCCCCCC)C(C)(C)C 2152976942 KZOGPLLCATZNJI-SJORKVTESA-N 283.500 4.678 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1C(C)(C)C1(F)F 2153655607 MGXRZHOKIDAAFV-KGLIPLIRSA-N 290.442 4.640 30 10 CJEE CCCCCCCCCCNCc1cn(C(C)C)cn1 2154398821 YDFJRJSQDPLKKN-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE C=CCCCCC[C@H](N)c1cccc2c1OC(C)(C)C2 2154636539 DMBTTXMZYZOBTK-INIZCTEOSA-N 273.420 4.536 30 10 CJEE CC1(C)CCC[C@](C#N)(CCN2CCCCCC2)CC1 2157116611 GLBLFLIOHSWYOD-GOSISDBHSA-N 276.468 4.753 30 10 CJEE C[C@H]1[C@H](C)CCC[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2157119721 ZOJPNXGYOYLVKW-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](O)c1cscc1C 2157231087 XTNUGEQEDVJKLM-IAGOWNOFSA-N 295.492 4.595 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)C1(c2ccccc2)CCC1 2158328378 PGKWYACYJQCUMS-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE CC(C)[C@@H]1CSC(=N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)N1 2159438091 UKVKMYNVMQDICO-KFWWJZLASA-N 296.524 4.698 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@]1(C)C(F)(F)F 2161815653 LSIUJZMQKLNNCR-IHRRRGAJSA-N 294.405 4.548 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCc2cc(C)ccc21 2163696387 MFVILSMTEXRHQJ-MNEFBYGVSA-N 269.432 4.707 30 10 CJEE CCCCCCCCC(=O)[C@@]12CCCC[C@H]1NCCC2 2165225699 YVZPXIDCDFDMBX-SJLPKXTDSA-N 279.468 4.619 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@@H]1CC12CCCC2 2165682213 NOCXWSHOWPNDGC-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE C=CC1(C[C@@H](NCCC)c2ncoc2C(C)C)CCC1 2168028887 QQHILZJMPRHXMJ-CQSZACIVSA-N 276.424 4.585 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1c(Cl)ncn1C 2168186245 SYIXRYYRDDZPPL-CQSZACIVSA-N 299.890 4.865 30 10 CJEE CC1CCC([C@@H](C)N(C)c2ccc(C#N)c(Cl)c2)CC1 2168487674 YZLBPJOHAHIKLS-ROKHWSDSSA-N 290.838 4.863 30 10 CJEE CO[C@@H](C[C@@]1(C=O)CCCC(C)(C)C1)c1ccccc1 2168509845 BFXQSOARPNFZHG-WMZOPIPTSA-N 274.404 4.550 30 10 CJEE CCCCCCCCCCN(CCN)Cc1ccsc1 2171097155 NVHIACLLRGAEPZ-UHFFFAOYSA-N 296.524 4.650 30 10 CJEE CCC1(CC)CCCN([C@@H]2C[C@@H](C)CC[C@H]2C#N)CC1 2171394819 OMPHWUYIYGJYCH-YESZJQIVSA-N 276.468 4.607 30 10 CJEE CCC1(C)CCC(N(C)[C@H]2CCCCC[C@H]2C#N)CC1 2171496102 PGSIXZXQLJZLQF-NALMEZQBSA-N 276.468 4.750 30 10 CJEE CCCC(C=O)(CCC)CN1CCC[C@@H]1c1cccs1 2172247781 DYEOSMJBAPWWEW-OAHLLOKOSA-N 293.476 4.671 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@](C)(O)C2(C)CCC2)CC1 2172434744 LCHJZSZJGAZFJQ-ZCDVPAHGSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCCCC[C@@H]1N 2172564035 DHRLVKISPZUTQD-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CC=C(CC)C(=O)Cc1ccc(-c2ccccc2)cc1 2176387588 GIMVVZAUKQMZNJ-UHFFFAOYSA-N 264.368 4.822 30 10 CJEE C#Cc1ccc(N[C@H](C)c2cc3c(s2)CCCC3)cc1 2177240411 FKZMEZCTOWTLOS-CYBMUJFWSA-N 281.424 4.781 30 10 CJEE CC(C)C[C@@H]1CNC(=NC[C@@H]2CCC[C@H](C)CC2)SC1 2177252035 VCJFKFPFSDLKAR-ARFHVFGLSA-N 296.524 4.558 30 10 CJEE CCc1ccc(CNc2cc(Cl)c(C#N)cc2F)cc1 2177388850 ORJUOMGCFLULLK-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE C=CCCC[C@H](C[C@H]1CCc2ccccc2C1)NCC 2178395743 KRAIPVGMROCEJU-QFBILLFUSA-N 271.448 4.516 30 10 CJEE CCCCCCCC[C@@H](CC1C[C@@H]2CC[C@H](C1)O2)NC 2181431369 WQQVPASDFKUITR-XFYFCPPXSA-N 281.484 4.673 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C(C)(C)[C@@H]2CCCCO2)CC1 2181675504 HCCBQUGCEYXUSL-ZBFHGGJFSA-N 278.436 4.533 30 10 CJEE CC(C)(C#N)CCCCNCC(F)(F)C1CCCCC1 2185209218 GTJLOTSCGXMILR-UHFFFAOYSA-N 286.410 4.512 30 10 CJEE CC[C@H](CCC(C)C)N(C)C[C@@H](CS)c1ccccc1 2186015302 DMRRWHGFFJYOGB-ZWKOTPCHSA-N 293.520 4.847 30 10 CJEE CC(C)(C)NC[C@]1(CC#C[Si](C)(C)C)CCCC12CC2 2187479779 WCEDYIVWDGRTLR-GOSISDBHSA-N 291.555 4.596 30 10 CJEE C=CC1(CN[C@@H](CC)c2cccc(C)n2)CCCCC1 2189515847 ADKZWQISSQDLQG-INIZCTEOSA-N 272.436 4.567 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC2(CCCC2)O1 2189593461 XFTJHLLCWIYFLZ-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C=C(C)CC[C@@H](NCC)C1CC2(C1)C(F)(F)C21CCC1 2195137696 URCKYHUTLDMPAN-NPCAHTBFSA-N 283.406 4.536 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(C(C)C)cc1 2196860491 ZUARJLRNVOKDGL-QFBILLFUSA-N 271.448 4.900 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C(F)(F)C1CCCC1 2197150578 MLRMKRJYKDGQGZ-MRXNPFEDSA-N 279.374 4.503 30 10 CJEE SCC1(CO[C@@H]2[C@H]3CC[C@H]4[C@@H](C3)C[C@H]42)CCCCCC1 2198402650 UJZCQEKTXGMULS-SMLCLMEVSA-N 294.504 4.708 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCc2ncccc2F)CC1 2199313432 OHBSBRGQOGHVOD-QGZVFWFLSA-N 274.383 4.654 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1C[C@@H]1C1CCOCC1 2200452744 YXYGKISYXMYSKL-FGTMMUONSA-N 281.484 4.517 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(C)cc(C)c1C 2203080163 HTVGQSVCMUBDCS-SFHVURJKSA-N 271.448 4.702 30 10 CJEE C#C[C@@H](N[C@H](C)c1cc(C)ccc1C)C1CCCCC1 2203801602 ROYXOYANNMUGKM-VQIMIIECSA-N 269.432 4.536 30 10 CJEE CCCC#CC[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2203835906 XWMBZUMTZWWLLI-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCCCC#CCC(=O)c1ccc(OCCCC)cc1 2203875087 CZZDIJGYPYVXFT-UHFFFAOYSA-N 272.388 4.632 30 10 CJEE COc1ccc(C(C)C)cc1C(=O)C=C1CCCCC1 2203947357 NSUGGWDWJURIDD-UHFFFAOYSA-N 272.388 4.892 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(N)C1CCCC1 2204155011 FDCYHOBHRSALCN-SFHVURJKSA-N 281.484 4.994 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CC[C@H](C)O1)NCCC 2206893363 ZJNZLVBYBYCRKW-RCCFBDPRSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCCCN1CCC[C@H]1c1nncs1 2207375810 VJRCQVDPPSZAMA-HNNXBMFYSA-N 293.480 4.592 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@H](C)C(F)F)NN 2207396269 KWGMVINSAQTVOQ-LSDHHAIUSA-N 290.442 4.807 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H](O)C(C)(C)C 2207409620 NSEFQUFSTXTESV-IAGOWNOFSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@@H](N)Cc1ccccn1 2207424429 FIBWAAMWUGVSRR-QGZVFWFLSA-N 274.452 4.648 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1nccnc1C 2207442964 VVCNUFCMIPEWFP-INIZCTEOSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@@H](N)C(C)(C)C 2207448022 KHBRVCZIBPQESC-IAGOWNOFSA-N 283.500 4.808 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@H](C)CCC)NCC 2207454549 WFWMAFYNWJGBRQ-KURKYZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC1(CC)CCC1)NC 2207456023 IBPCBPOGNCVULO-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCCCF)NCCC 2207460123 YVWBCNMWHOXUPA-IRXDYDNUSA-N 289.479 4.606 30 10 CJEE CC(C)N[C@](C#N)(CSC1CCCCC1)C1CCCC1 2208128705 GGVXETGYOWRHFQ-QGZVFWFLSA-N 294.508 4.503 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cc(Cl)sc1Cl 2213923429 ZGTWYPFCFGDTMZ-NXEZZACHSA-N 290.259 4.753 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1 2218342354 AUEQSUGCHCWOQJ-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE CC[C@@](C=O)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(C)C 2218371158 OUPKNZXHMKXFBS-HZMVEIRTSA-N 250.426 4.844 30 10 CJEE CCCCCCCCCO[C@H](CC)[C@H](C)NCC 2223203971 FQPUGSFDLHFNSP-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@](C)(N)CC1(CF)CCC1 2223828411 MSOWPFNMXBMZSE-HNNXBMFYSA-N 257.437 4.984 30 10 CJEE CCCCCCCCCNc1cnn(CC)c1Cl 2223838594 JCOAGQXLRDMJEN-UHFFFAOYSA-N 271.836 4.719 30 10 CJEE C=CCN(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1 2225358113 VMGLKMTUAKLLTR-FVQHAEBGSA-N 261.453 4.633 30 10 CJEE CC1(C)CCC(C#N)(c2nc(C(F)(F)F)cs2)CC1 2226449452 MBCWDSVUQKTQAN-UHFFFAOYSA-N 288.338 4.523 30 10 CJEE C=CCCCCCCC[C@]1(C=O)CCCOC1(C)C 2227268629 RKJPLMMMGJYDPW-QGZVFWFLSA-N 266.425 4.677 30 10 CJEE CC#CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 2227501551 OCNFADBAJFEDFW-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE N#C[C@]1(CCCCC(F)F)CCCc2ccccc21 2230200778 USELJXBPYXKICW-INIZCTEOSA-N 263.331 4.610 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H](N)[C@H]1CC 2231014627 FXKPWXVTZGAVGX-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2CSC[C@@H]2C1 2231933452 VWUUFIWECASMNV-MWDXBVQZSA-N 283.525 4.857 30 10 CJEE CSc1cccc(N[C@H]2C[C@H](CC(C)(C)C)C2)c1C#N 2233097897 FXOOAJASPUVMDN-JOCQHMNTSA-N 288.460 4.907 30 10 CJEE CO[C@H]1C[C@@](C#N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1(C)C 2233716034 VDVUDFGLYRPIDG-VNIVASGNSA-N 275.436 4.548 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(C2CC2)cc1 2233782971 RIDKEWBYQQOUNJ-GOSISDBHSA-N 269.432 4.654 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)CCCCCCC1CC1 2234154379 ZVHCYHNFEZOUDG-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE C=CCCCCCCCN1CC[C@@H](C(C)C)CCC1=O 2235535725 QNUKABOTPXEUMG-KRWDZBQOSA-N 279.468 4.798 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)c1ncsc1C 2239249625 XYFBMDDTKWZVLQ-MRXNPFEDSA-N 297.464 4.585 30 10 CJEE CCCCCCCCCOC[C@H](O)C(C)(C)C(F)(F)F 2239467543 LGDJDBAAMTXAMR-ZDUSSCGKSA-N 298.389 4.703 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](NC)C12CCCC2 2239491417 AFPFGEJZHHRYBW-SJORKVTESA-N 281.484 4.674 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C#Cc1ccc(Cl)cc1 2239502233 SNUDXSQXZRFLCK-OLMNPRSZSA-N 290.834 4.515 30 10 CJEE CCCCCCCCCCCOC[C@H](NC)C1CCC1 2239553656 BWEVONNESNGACL-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CC1(C)CCC[C@@H]([C@H](O)C#Cc2ccc(Cl)cc2)CC1 2239567794 HFNKUIHECMTBSC-NVXWUHKLSA-N 290.834 4.659 30 10 CJEE CCCN[C@H](C#Cc1ccc(C)cc1)CC(CC)CC 2239639771 BSJNFEJKALLSCL-LJQANCHMSA-N 271.448 4.541 30 10 CJEE C=CCCCCOc1cc(Cl)ccc1CN[C@H](C)CC 2240225071 HXKGIJOAJQZFGM-CQSZACIVSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncnc2ccsc12 2240613961 MJECNNPZULLYCK-INIZCTEOSA-N 291.464 4.616 30 10 CJEE CC(C)=C(C)C(=O)c1scc(Br)c1Cl 2241252259 PVPKRBWBIDSIKW-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE CCCCCCC[C@](C)(O)c1csc(C)c1C 2246417194 XTOCRXCWTSHUAP-HNNXBMFYSA-N 254.439 4.933 30 10 CJEE FC1CC(CS)(CSCc2ccccc2Cl)C1 2247046554 OLRVVEMRHHKOHL-UHFFFAOYSA-N 290.856 4.621 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cc(Br)c(F)cc1C 2249381249 GDEPZMRZDDSENC-SECBINFHSA-N 299.183 4.682 30 10 CJEE CCCCCCCCOc1sc(CO)c(C)c1C 2254658067 FIFUKLZIGHCQSN-UHFFFAOYSA-N 270.438 4.597 30 10 CJEE C=C1CCC(CNC(C(C)(C)C)C(C)(C)C)CC1 2255421129 PXJBCSPNTVHZKL-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1csc(C(C)C)n1 2259231832 QOJAVNGATJMQPR-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE CCCCCCCCN(C)CC1(CSC)CCC1 2261088611 VQXMJQHZOUDTJJ-UHFFFAOYSA-N 271.514 4.812 30 10 CJEE C(C[C@@H]1CC[C@@H]2O[C@@H]21)CC12CC3CC(CC(C3)C1)C2 2265016898 NIMHBTYORLPUNU-PPRFGSIMSA-N 260.421 4.551 30 10 CJEE CCC[C@@H]1CCC[C@@H]1Nc1cc(C)c(C#N)c(C)c1 2265863045 YSQVPHSKOKLAOA-PBHICJAKSA-N 256.393 4.556 30 10 CJEE C=CC[C@@H](C)Oc1sc(CNC(C)(C)C)c(C)c1C 2265924900 IDLYWAGLPGYTFM-LLVKDONJSA-N 281.465 4.596 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCC1(C)C)NN 2266328244 INHNKVWEXBBEKP-HOTGVXAUSA-N 268.489 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(CO)CCCCC1(C)C 2268728472 NNJXHFVONFJKMC-SFHVURJKSA-N 262.437 4.561 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H](C)c1ccc(C)cc1 2271789949 BXVWUOIALQSAMB-SJLPKXTDSA-N 259.437 4.823 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1CC[C@H](C(F)(F)F)CC1 2271792179 SDPNKMOZFDSWSG-IHRRRGAJSA-N 278.358 4.853 30 10 CJEE C=C(C)CCCCSc1ccc(CNC2CC2)cc1 2271834614 HTLPHUGMHDVELO-UHFFFAOYSA-N 275.461 4.777 30 10 CJEE C=C1CCC(CN(C)C[C@]23CCCC[C@H]2CC3)CC1 2273396583 YDEUYKCMNUMHCQ-ZWKOTPCHSA-N 261.453 4.635 30 10 CJEE C=C(C)[C@@H](CCCCCCCCC)OCCC(=O)O 2274766084 LQQYRYYHIHVPSQ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(CC)s1 2276262141 RRICFOMUGMZQEZ-HNNXBMFYSA-N 283.481 4.687 30 10 CJEE C=C([C@H](OCCCN)C(CC)(CC)CC)C(C)(C)C 2276571924 HNEKEDSKGZKJCO-HNNXBMFYSA-N 269.473 4.539 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCCN)C(C)(C)C 2276904487 FFDJLNWIZHVTMX-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CN(CCCCCCCS)C1C[C@H]2CCC[C@H](C1)C2 2277501459 NZDAKRQGAZITFP-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCOC1(C)C 2278239806 MUVFDTUUBPBIKL-CVEARBPZSA-N 269.473 4.673 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NC)c1sccc1CC 2282913431 VARRQLMLGSXPCY-DLBZAZTESA-N 297.508 4.683 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccccc1OC(F)F 2282925534 CZFCABWACZZYRK-LRDDRELGSA-N 279.330 4.551 30 10 CJEE CCCCCCCOC[C@@H](NCCC)[C@@H]1CC12CCC2 2283688523 VDFBYKKHBSMKIJ-DLBZAZTESA-N 281.484 4.532 30 10 CJEE CCNC[C@]1(CC=CC#CC(C)(C)C)CCCC1(C)C 2284083086 CGTYWEWGHDCEPT-IBGZPJMESA-N 275.480 4.788 30 10 CJEE C=CCCCS[C@H]1Cc2c(C)cccc2[C@H]1NCCC 2287079210 KZCSWATZDSLZDH-ZWKOTPCHSA-N 289.488 4.660 30 10 CJEE C=CCCCCCCCSc1cc[nH]c(=NCC)c1C 2287089096 HFZGWHKJRONWSM-UHFFFAOYSA-N 292.492 4.862 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1csc(C)c1C 2287388574 ULXHUKUNHAQPIW-IAGOWNOFSA-N 295.492 4.513 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)CCCC(C)C 2287393088 VJYBXCSNTOUIML-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C(CC)(CC)N(C)C 2287412101 AJGORNSSRVXXGZ-QGZVFWFLSA-N 282.516 4.612 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@H]1CCCC12CCC2 2289858364 AWPZTMNWRVFQSB-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE C[C@H]1CCC[C@@](CC#CC2CCCC2)(CNC2CC2)C1 2289924683 NBEWWAIAOSRYIA-LPHOPBHVSA-N 273.464 4.519 30 10 CJEE C[C@@H]1CC(C#N)(CC2CC(CC(C)(C)C)C2)C[C@@H](C)O1 2290110044 MLDLZGQXKXEDQB-WXLSXGNJSA-N 277.452 4.936 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(CCCCC)OCCC(=O)O 2291010892 UDPVBZONVXAZFL-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)c1cscc1C 2291935733 YYZYKHDTGYPFFE-OAHLLOKOSA-N 298.448 4.949 30 10 CJEE CCCCCCCC[C@@H](CCC=C(C)C)OCC(=O)O 2292176054 RXFRIAIFNAFADT-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C(C)(C)C)[C@](CCC)(OCCC(=O)O)C(C)(C)C 2292250658 ZZRKOLIBAGPJMD-KRWDZBQOSA-N 284.440 4.665 30 10 CJEE C=CCCCCCCC1(OCCCN)CC(C(C)C)C1 2292784300 JRUGWMPPLAKOQX-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@@](CC)(CC1CCCCC1)OCCCN 2292894708 QJRVRMZXSUBRHJ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@@H](C)C1)OCCN 2293120449 MABCOSAOUMYNFJ-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@]1(C)CCCS1 2294003391 LENBGBLHCSARRO-DLBZAZTESA-N 299.524 4.533 30 10 CJEE CC1(C)CCC[C@](C=O)(C2C3CC4CC(C3)CC2C4)C1 2294903515 VMBNFIVDGTVUIL-PWKXAEOISA-N 274.448 4.844 30 10 CJEE C#Cc1cccc(NCc2sc(C(F)(F)F)cc2C)c1 2295050756 ZLUCGVQGJYKZGW-UHFFFAOYSA-N 295.329 4.669 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)C#Cc2ccccc2Cl)CC1 2295205727 YEGUBCKANDUXLN-UWWQBHOKSA-N 290.834 4.659 30 10 CJEE N[C@@H](C#Cc1ccccc1Cl)c1cccc2ccsc12 2295215533 YCJDNTIFLWIJFV-INIZCTEOSA-N 297.810 4.606 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1nc2ccccc2s1 2295385506 LLVVKOAANMKAJK-BBRMVZONSA-N 288.460 4.939 30 10 CJEE CCCCCCCCC[C@@H](CC1(C)CC(F)(F)C1)NN 2295619237 JMVFPQWDMSOGFM-AWEZNQCLSA-N 290.442 4.785 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CCC(C)(C)[C@@](N)(C#N)C1 2295765050 ZGRIESXLGFVXEX-UXLLHSPISA-N 296.524 4.736 30 10 CJEE O=C(C=Cc1ccccc1)c1cccc(F)c1C(F)(F)F 2297630821 WOLLHIHIDNMCKD-UHFFFAOYSA-N 294.247 4.741 30 10 CJEE C=CCCCCCCCCCS[C@H]1CC[C@@H]1N 2300301385 XGVPUBLHBFYDGF-GJZGRUSLSA-N 255.471 4.516 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)cc1C 2304026546 AIDLMXSNOIBVQE-CABCVRRESA-N 251.801 4.641 30 10 CJEE C=CCC(CC=C)OC(=O)CC[C@H](C)CCCC 2313539951 SFKPTBXDVPJAAT-CQSZACIVSA-N 252.398 4.657 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](CC)NCC)cc1 2313689496 PSKFFQSABBFIQW-BBRMVZONSA-N 263.450 4.804 30 10 CJEE C=CCCSc1ccc(C)c(Cl)c1C[C@@H](N)CC 2314019047 XUZPUWJVMKOWDB-LBPRGKRZSA-N 283.868 4.596 30 10 CJEE C=CCCC(O)(C1CCCCC1)C1CCCCC1 2316479862 GYHGEOXCLDRNCW-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE Cc1c(C[C@]2(C=O)CCC[C@@H]2C)ccc(Cl)c1Cl 2316689851 DYXLZIGQADSZLH-BONVTDFDSA-N 285.214 4.850 30 10 CJEE C=C(C)C[C@H](CC[C@@H]1CCC[C@@H](C)C1)NCCC 2319289719 WYYARDGBBCDVTF-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1sccc1CC 2321096839 VUKICRIZAJAGRF-HOTGVXAUSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C1CC(C(C)(C)C)C1 2321100084 YCISTJRKOYSUDU-BOXZVXIZSA-N 251.458 4.639 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@@H]2F 2329128841 YDFYVORPZWEFSL-LUKYLMHMSA-N 269.448 4.983 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@H](NCC)c1ccccc1F 2335095774 FXFAYGKECOTUEC-XEZPLFJOSA-N 281.440 4.563 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC=C(C)CC 2338531335 YOVVIYKUUFEOCW-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=C1CC(C[C@H](NCC)[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2338687182 UXRYXAUZMMUJNK-DKIMLUQUSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cscc1C(F)(F)F 2338740241 CZBSFVNSQJTMMZ-CYBMUJFWSA-N 289.366 4.796 30 10 CJEE CC(C)(Cc1ccccc1)CC1(C=O)CCCCC1 2339404973 TZSUMTYWCPTFBZ-UHFFFAOYSA-N 258.405 4.795 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)[C@@H](C)C(C)C 2340223056 SXJQEDRXPCESTF-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CC(C)c1ncccc1COCCCCCCCS 2342180572 SAXWYGMYZSMXMH-UHFFFAOYSA-N 281.465 4.602 30 10 CJEE C[C@](N)(CCCCC(F)(F)C(F)(F)F)CCC(F)F 2342293333 DTCDFNDQIJUHID-VIFPVBQESA-N 297.258 4.507 30 10 CJEE C=C1CC(NCCCCCCCCC)(C(F)(F)F)C1 2342799818 HTDSRFNSDXCQNS-UHFFFAOYSA-N 277.374 4.978 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1cccc(Cl)c1C#N 2343118652 TYTIBWOEYAGORY-AAEUAGOBSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1cccc(Cl)c1)NCC 2344348705 MXNSKRXPYRKZST-IAGOWNOFSA-N 279.855 4.853 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccsc1OC 2344377003 RQMOIMCNARFHBR-GDBMZVCRSA-N 281.465 4.790 30 10 CJEE C=CCC(CC=C)S[C@@](CC)(C(=O)O)C1CCCC1 2351992096 SOZYMHCLJYWDQK-MRXNPFEDSA-N 282.449 4.664 30 10 CJEE C=CCCCCCCCSC[C@H](N)[C@@]12CCC[C@H]1C2 2353191437 GNTXWOAADQQYKJ-YESZJQIVSA-N 281.509 4.764 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1C[C@@H]2CC[C@H]1C2 2359328015 OPDGGFYMOSIUSQ-VSZNYVQBSA-N 280.500 4.785 30 10 CJEE CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)CC1(CS)CCCCCC1 2359639402 GVUZROJPPJCGRT-BBWFWOEESA-N 295.536 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1OCC[C@@H]1C 2360179394 CZQAXIXVCODGLW-KSZLIROESA-N 283.500 4.920 30 10 CJEE C=CC[C@@H](C)SC[C@](C#N)(NCCC)C1CCCCC1 2360208227 NIPOSCXGJXKBAQ-WBVHZDCISA-N 294.508 4.526 30 10 CJEE Oc1ccccc1/N=C/c1cccc(-c2cccs2)c1 8515236 YHNDUHTWCUUDAE-LDADJPATSA-N 279.364 4.871 30 10 CJEE Cc1ccc(-c2nc3cccc(C)n3c2[C@H](C)C#N)c(C)c1 31915710 QKNBNIYWINCBFU-CQSZACIVSA-N 289.382 4.554 30 10 CJEE N#C[C@@H](CCCc1ccccc1)c1ccc(Cl)cc1 34236439 UFMUDVSDTDNMNG-MRXNPFEDSA-N 269.775 4.970 30 10 CJEE Cc1ccc(C)c(S[C@H]2CCCCC[C@H]2C#N)c1 37155853 KEHMKOSLSUWJOU-GJZGRUSLSA-N 259.418 4.868 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 37937064 DGHFCUOPTGAJAD-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#Cc1c(Cl)nc2ccccc2c1Nc1ccccc1 38980386 SUHXRJQWMNHODH-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCn1c(-c2ccc(Cl)cc2)nc2cc(OC)ccc21 43256064 BJSGWORKVDJSMY-UHFFFAOYSA-N 298.773 4.551 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1ccccc1F 52859912 FUVCVBQUHRMKCQ-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CC(C)c1ccccc1N[C@@H]1CCCCC[C@H]1C#N 54823411 YQXZRMLXWIEFMV-GOEBONIOSA-N 256.393 4.694 30 10 CJEE Cc1ccccc1OCCCC[C@H](C#N)c1ccc(F)cc1 57685572 VBRCAXHDDXCBGI-QGZVFWFLSA-N 297.373 4.991 30 10 CJEE COc1ccccc1[C@@H](C#N)CCCCOc1ccccc1 57690504 ZKNKCMLQQNIQQL-MRXNPFEDSA-N 295.382 4.552 30 10 CJEE CCCCCCCCCNCc1ccc(OC)c(OC)c1 59245308 RPVLRYWRDBCPAZ-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2F)C1 62014278 KDCTVHVZHTWIKV-YRBFXIGRSA-N 288.410 4.537 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Br)s2)C1 83791700 JCNTVJDCFPMLKA-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2ccccc2F)CC1 86949233 MMSXQISPCCZICQ-PBHICJAKSA-N 274.383 4.736 30 10 CJEE CC(C)C1CCC(C#N)(Cc2cccc(F)c2)CC1 87959923 VEENMZXMHOYKFF-UHFFFAOYSA-N 259.368 4.724 30 10 CJEE SCC1(CN2CC[C@H]3CCCC[C@@H]3C2)CCCCCC1 94579203 LMKBCOILLWMWEY-IAGOWNOFSA-N 295.536 4.769 30 10 CJEE SC[C@H](COc1cccc2ccccc12)c1ccccc1 94583018 OAADZPLBOSXKNA-KRWDZBQOSA-N 294.419 4.932 30 10 CJEE CCC(CC)(CS)COc1c(C)ccc(C)c1C 94584286 JIGOQOJSSFXLEE-UHFFFAOYSA-N 266.450 4.727 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1nc2ccccc2s1 94588984 XUZGKCLNUBZVQI-JTQLQIEISA-N 297.514 4.981 30 10 CJEE CC(C)(Cl)C#Cc1ccc(Oc2ccccc2)cc1 95633830 GBLICUDOOXXZQE-UHFFFAOYSA-N 270.759 4.848 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc2ncccc12 97219814 WDWJOURSYVSOPG-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCCCCCCCN[C@H](C)c1ccccc1F 105839028 NFLPOSFZYDYUNC-CQSZACIVSA-N 251.389 4.837 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RWEMAPOPCNJPAP-OCCSQVGLSA-N 280.362 4.874 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)CCC2(CCCCC2)C1 2284087607 AWKLJEVFPQFAMN-LJQANCHMSA-N 273.464 4.814 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)ccc1F 2284111772 WFNZKSVCZGUGOW-INIZCTEOSA-N 293.813 4.735 30 10 CJEE CN(CC=CC#CC(C)(C)C)C1CC(CC(C)(C)C)C1 2284142409 OASSQQONZPASRA-UHFFFAOYSA-N 275.480 4.739 30 10 CJEE C=C(C)CC[C@H](C)NCCCCCCCCCCCO 2286803857 ABQYIBJWWRHMNH-SFHVURJKSA-N 283.500 4.824 30 10 CJEE CCCCCCCCCN1CCc2nc(C)sc2CC1 2287053821 GXDQFCKHMJHQRZ-UHFFFAOYSA-N 294.508 4.603 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccccc1CC 2287078217 ZGKBLGPTPFZXJX-GOSISDBHSA-N 291.504 4.989 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(C)cc1OC 2287407874 AYOLZOMMVQMROW-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE C=C(C)CCCCN[C@H](C)C12CC3CC(CC(C3)C1)C2 2287414299 OSFHOJXOFYGCCG-CPZBXZKTSA-N 275.480 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@@H](OC)C1 2287415535 VIGIBLNHOXNHPX-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](CCN(C)CCCCC)NCC 2287467032 TZJFJMIVNCOLAG-SFHVURJKSA-N 282.516 4.613 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C1C(C)(C)C1(C)C 2289789480 XHCWWHXTCRSDKL-MRXNPFEDSA-N 275.480 4.621 30 10 CJEE CCC[C@H]1CC[C@H](CN(C)CC#CC2CCCC2)CC1 2289866597 MTBZAAKSNHPBIX-UAPYVXQJSA-N 275.480 4.718 30 10 CJEE CC(C)(C)C1CC([C@H](O)[C@@]2(C#N)CCCCC2(C)C)C1 2289939464 ODCRRIYBVRBIII-GULCKSEBSA-N 277.452 4.530 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2cccc(C(C)(C)C)c2)CC1 2290189857 GLDUQRMPQIKBNK-INIZCTEOSA-N 270.416 4.842 30 10 CJEE C=C([C@H](Cc1cccc(C(C)(C)C)c1)NC)C(C)(C)C 2290209471 HYNOTHIFWQFNNG-KRWDZBQOSA-N 273.464 4.717 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)C(C(C)C)C(C)C 2292711293 NPARYLLSXJUWJU-HNNXBMFYSA-N 284.440 4.521 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)C1(CCC)CC1 2292726359 IZGIEZFFMPMVNA-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCCSCC1 2292777340 UYAVPLUSAMCGBP-QGZVFWFLSA-N 299.524 4.534 30 10 CJEE C=CCCCCC[C@@](CC)(OCCCN)c1cccs1 2292890435 GUDLZMDDMGPFNA-QGZVFWFLSA-N 295.492 4.855 30 10 CJEE C=CCCCCC[C@@H](CC1CCCCCC1)OCCN 2292892028 IVWVSTWEPVEIBR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)c1ccc(Cl)c(C)c1 2293112264 SZUBPTJHQHJNRR-GUYCJALGSA-N 295.854 4.657 30 10 CJEE C=CCC[C@H](C)C1(OCCCN)CCC(C)(CC)CC1 2293138794 NFJQVNLUZUSMAT-AOCRQIFASA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CC1(F)F)OCCCN 2293183781 VVJLQZWZRKTMRW-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H](C)C(C)(C)C 2293785871 VMUHIZACENPMTO-IAGOWNOFSA-N 283.500 4.929 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)C1(C(C)C)CCC1 2293899966 AFIFHYMURQMWLQ-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](CCC(F)(F)CC)OCCCN 2294138767 KEEZAILGRKMKEY-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE CCCCCCCCC[C@@](C)(CN)NC1CCCCC1 2295521355 ANPOILKUTSPABV-SFHVURJKSA-N 282.516 4.767 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H](CC(F)(F)F)O1 2295535376 CFMKIEJHSFLSIZ-UONOGXRCSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CCC(C)C)NC 2295681750 JMKSYZHHEIQKHS-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE C=CC[C@H](C=C)OCCCCCCCCCCCNC 2296256958 BKWANUUNEUMANQ-SFHVURJKSA-N 281.484 4.864 30 10 CJEE O=C1C(=Cc2ccccc2Cl)CC[C@@H]1C1CCCC1 2297334131 FMJQRRQLNYXDNK-OAHLLOKOSA-N 274.791 4.893 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@H](N)C[C@H](C)S1 2298946083 DVUSPUULAQCHRN-SOUVJXGZSA-N 257.487 4.739 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(CCC)s1 2304120674 VCZICJWCZSVGCT-GJZGRUSLSA-N 252.423 4.726 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(COC)s1 2315112667 RVRQMLWHVUOIBT-AWEZNQCLSA-N 270.438 4.679 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCC[C@@H](C)C(F)F)C1 2316778284 VLKSRKQBXLQPNS-FDYHWXHSSA-N 275.408 4.729 30 10 CJEE C=CCCCCCCN1CCC(F)(F)[C@@]1(C)CC 2317945017 PCCQQKYHEGMBGS-CQSZACIVSA-N 259.384 4.633 30 10 CJEE CC(C)[C@@H](C#N)COCCC1CCCCCCC1 2319546635 SGDNLZFCFGMFQZ-INIZCTEOSA-N 251.414 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCC(F)(F)F)NCC 2321100962 GFXZPMURUBRQGB-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC(C)(C)CC(F)F)NC 2321119135 XJLRKQZFJPNLTF-WFASDCNBSA-N 261.400 4.638 30 10 CJEE CCCCCCC[C@@](C)(SCC(C)(C)C)C(=O)O 2326994129 FRQWLLOPYDEBMK-OAHLLOKOSA-N 274.470 4.970 30 10 CJEE CCC(C)(CC)CN(C)C[C@](C)(CS)C(C)(C)C 2327074739 BIJGAKGTOKRSHZ-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H](CC1CC1)C1CC1 2327115948 PIGTVVYTWNPKBF-ZBFHGGJFSA-N 270.482 4.564 30 10 CJEE C=CCCCCCCCS[C@@](C)(CCC)C(=O)O 2327159538 XIOVGZBMTVXYOX-HNNXBMFYSA-N 272.454 4.890 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2332700801 QBGMAYGBNWXXSO-BZZMCLGOSA-N 263.469 4.783 30 10 CJEE Cc1ccc(C(C)C)cc1NC[C@H](C#N)C(C)(C)C 2337619954 NRNHEAMSXHIJCS-HNNXBMFYSA-N 258.409 4.716 30 10 CJEE C=CCC(CC=C)C(=O)c1cc2ccc(F)cc2s1 2338670903 BBIBNGMATOMBSE-UHFFFAOYSA-N 274.360 4.992 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cccc(SC)c1 2338691683 VHWUZUPJUFXRHB-KRWDZBQOSA-N 275.461 4.828 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C)cc1C 2338739761 YTSLPLNXPWHIJV-GOSISDBHSA-N 257.421 4.722 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCC1=CCCCC1 2341090722 FZYTVQYMJOEVSM-ZWKOTPCHSA-N 261.453 4.992 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cc(F)ccc1C1CC1 2341744980 QAOXSTRENOZEKE-SJKOYZFVSA-N 257.352 4.576 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cccc(C(C)(C)C)c1 2341896724 NBOURSOTPWDDFB-IRXDYDNUSA-N 257.421 4.601 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1cc(Cl)ccc1C#N 2343114957 AGIAVCJWXYDRHL-JSGCOSHPSA-N 276.811 4.696 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2343208363 KSXYNNLSKRCBMF-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C2CCC2)c1 2343780369 CZTXMEQRLFUQQH-GOSISDBHSA-N 257.421 4.961 30 10 CJEE C#Cc1c(F)cc(NCC(CCC)CCC)cc1F 2344193588 NFLVVILPRONBLZ-UHFFFAOYSA-N 265.347 4.574 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCCCC1(F)F)NCC 2344339721 LRNQYNOVPSYXHQ-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc2c1CCCC2 2344343903 GGTMSJYFUKBETM-QZTJIDSGSA-N 257.421 4.558 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2344476061 JZEHASMHVBIBPX-GFCCVEGCSA-N 292.728 4.995 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@]1(C)C1CCC1 2352100463 RJBOXIPABSADFG-IAGOWNOFSA-N 283.525 4.623 30 10 CJEE CNc1cccc(C#Cc2cc(F)c(Cl)c(Cl)c2)c1 2352531938 WCKAPSOOHLOEBI-UHFFFAOYSA-N 294.156 4.574 30 10 CJEE C#CCCCCCCC(=O)Nc1cccc(C)c1Cl 2352962534 UKBYCFJKXFTEIV-UHFFFAOYSA-N 277.795 4.561 30 10 CJEE CSc1cc(O[C@@H](C)C2CCCCC2)ccc1C#N 2353833282 BVRBDQZLKYDIOG-LBPRGKRZSA-N 275.417 4.628 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCCC(C)(C)CC1 2353843155 OGCIXFJHSVDDQS-HZPDHXFCSA-N 285.541 4.869 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2355393219 SBTSXCINGNFOBJ-KNCOVGOOSA-N 284.390 4.843 30 10 CJEE C=CCC(CC=C)OC(=O)CCCSc1ccccc1 2360213586 WQDIDWHHMUCRBA-UHFFFAOYSA-N 290.428 4.623 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1ccc(CC(C)C)cc1 2360324124 NLWRQFIXHRNQPP-QAPCUYQASA-N 291.504 4.843 30 10 CJEE C=C(Cl)CON[C@@H](C)c1ccc(-c2ccccc2)cc1 2360458885 ISAKADVWMHHSHJ-AWEZNQCLSA-N 287.790 4.688 30 10 CJEE CC(C)(C)c1ccccc1Oc1ccc(C#N)cc1 11962801 WJNFDMMDOLFZFD-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1cccc2ccccc12 36954231 QAGTXTXBLZKTGW-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156544 CCKNHMQTCAOYJZ-FIXISWKDSA-N 281.371 4.775 30 10 CJEE CC[C@H](C#N)Oc1ccc(-c2ccccc2)cc1Cl 43556968 GGMRJBZTNXGBCZ-CQSZACIVSA-N 271.747 4.688 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](c2cccs2)C(C)C)c1 51580061 MAALKHUGPAFMLX-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE CC(C)(C)c1ccc(C[C@H](C#N)c2cccc(F)c2)cc1 57744785 LEKQKHICTKVEMP-MRXNPFEDSA-N 281.374 4.973 30 10 CJEE CCCCCCCCOC[C@@H](N)c1cc(C)ccc1C 59083695 OQPNTXPEXUCHHL-GOSISDBHSA-N 277.452 4.680 30 10 CJEE CC(C)c1ccc(Nc2c(C#N)cnc3ccccc23)cc1 64438615 PWOAOPKLNDJXQC-UHFFFAOYSA-N 287.366 4.973 30 10 CJEE Cc1ccc(SC[C@@H](CS)C(C)C)cc1C 87096139 XPHMONWONOILDP-CYBMUJFWSA-N 254.464 4.598 30 10 CJEE C=CCCC[C@@H](NCC)C1CCC(C(C)C)CC1 87966400 GPDXQUPKPZXIGS-OFLPRAFFSA-N 251.458 4.783 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2F)C1 87972709 YGOVGVVPBLXBOO-LRDDRELGSA-N 263.331 4.617 30 10 CJEE Fc1ccccc1COCC1(CS)CCCCCC1 94585286 IYKZLAZDEYYFTH-UHFFFAOYSA-N 282.424 4.613 30 10 CJEE C=C(CC)Cn1c(C)c(C)c2cc(CNC(C)C)ccc21 97209161 MLZIDKUKASBKSI-UHFFFAOYSA-N 284.447 4.722 30 10 CJEE C#CCCC[C@@H](NCCC)c1oc2ccc(F)cc2c1C 97390112 UEIJPTGXVPYOSD-MRXNPFEDSA-N 287.378 4.725 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CCCC[C@@H]21 97799549 BIPVRXLCQIMMKA-IRXDYDNUSA-N 283.525 4.911 30 10 CJEE CCCCCCCCNC12CC3CC(CC(C3)C1)C2 102161551 FZAIZZSFCIYGIL-UHFFFAOYSA-N 263.469 4.905 30 10 CJEE Cc1cc(C)c(/C=C/C(=O)/C=C\c2cccs2)c(C)c1 103044178 MBHCIXVITCMMBZ-MKKAVFGOSA-N 282.408 4.969 30 10 CJEE CCCCCCC[C@](C)(C#N)Nc1cccc(OC)c1 103285571 BLKWXIQTQMWOSD-QGZVFWFLSA-N 274.408 4.750 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1c(F)cccc1F 109906074 HAHPSSQRHRYFPB-AWEZNQCLSA-N 283.406 4.846 30 10 CJEE CCCCCCCOCc1cccc(CNC(C)C)c1 110170218 OBWWOMOFPNQIIM-UHFFFAOYSA-N 277.452 4.672 30 10 CJEE Cc1cc(C)c(Nc2ccc(C#N)c(Cl)c2)c(C)c1 110250651 SHANCSDBJPKVQQ-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE CCc1ccc(Nc2ccc(C#N)cc2Cl)cc1 110253121 GLGLKJURVIVYST-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC(C)(C)CC2)C1 110265516 WFULNVLICXKDFN-BRWVUGGUSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1C[C@@H]2CC[C@@H]1O2 112314024 WGVOFFVAFGKKPY-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE C=C(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F 114115973 CXUKRUWCWRPKPJ-UHFFFAOYSA-N 259.029 4.708 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(F)cc1F 114783918 MUEIMXXCLNATKH-AWEZNQCLSA-N 279.330 4.502 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc2c(c1)CCO2 115856283 QZUFBSSHDWFCLN-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCCc3occc32)cc1 122100833 MGLBDHIWHABHSL-MRXNPFEDSA-N 280.371 4.570 30 10 CJEE CCCCCCC[C@H](Cc1ccc2ccccc2c1)NN 122299746 AYVKTFWRHPXDGS-LJQANCHMSA-N 284.447 4.575 30 10 CJEE CCCCCCC[C@H](Cc1cccc(F)c1Cl)NC 122350198 GRBZKHQOUPXYIE-CQSZACIVSA-N 285.834 4.970 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@]1(C)CCCO1 123624791 NZYWWIZDHNWDAB-DLBZAZTESA-N 269.473 4.674 30 10 CJEE N#CCCCn1c(-c2ccccc2)cc2ccccc21 128475023 XZKRZFMREGFQTR-UHFFFAOYSA-N 260.340 4.612 30 10 CJEE CC#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133171381 QFFKEUPGLQLNPP-ZACQAIPSSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCCNCC1 133922242 HZLHHXDXMLRTMC-GOSISDBHSA-N 283.500 4.802 30 10 CJEE CCCCCCCCCCC(CO)(CO)C1CCCC1 160135120 VIQQLUZHOZRCGK-UHFFFAOYSA-N 284.484 4.678 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCCS1 161015867 IKQWHLZDJLHESZ-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@](C)(CC)OC 161658649 WWFTYDOSZJORDE-CVEARBPZSA-N 258.446 4.693 30 10 CJEE CCCCCCCCCC(=O)[C@]1(C)CCCS1 164753492 ZCLXCHRMHUKXFP-HNNXBMFYSA-N 256.455 4.982 30 10 CJEE C=CCCC[C@H](NCC)c1cc2ccccc2s1 167723873 AZBFRZCKYGALBY-AWEZNQCLSA-N 259.418 4.908 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1 218005314 LAMIDBSEJLYUNV-ICBNADEASA-N 288.479 4.750 30 10 CJEE N#Cc1cc(F)cc(Sc2ccc(Cl)cc2)c1 227637393 GDZWFYJPRSZPLV-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C)c1nccs1 231901358 URIOEWDFJYNUAH-KGLIPLIRSA-N 268.470 4.585 30 10 CJEE C=CCC[C@@H](C)Nc1cc(C)cc(Br)c1 232062791 XPJJSBDUQGBDDC-LLVKDONJSA-N 268.198 4.524 30 10 CJEE C=C(C)CNc1ccc(Br)c(Cl)c1Cl 232462910 KOWFTKXESYIJML-UHFFFAOYSA-N 295.007 4.744 30 10 CJEE CCCCCCCCCCCC[C@H](CC1OCCO1)NC 232909395 BDCSTZHCGXDNJA-QGZVFWFLSA-N 299.499 4.648 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(OC)c(F)c1 233608984 IYSFDKGIMNYSSC-MRXNPFEDSA-N 279.399 4.621 30 10 CJEE CSc1ccc(NCCCCC(C)(C)C#N)cc1 235115211 KUKAADIUBXLEFY-UHFFFAOYSA-N 262.422 4.540 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Br)cc1 236537565 LSKCZRLSDSIFEQ-AWEZNQCLSA-N 283.209 4.619 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC 250212175 VMKQQNOWMZYUDV-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCN1C[C@H](C(C)C)NC[C@H]1CC 250796726 BASJPXWBKFJIAX-RTBURBONSA-N 296.543 4.836 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc([C@H]3C[C@@H]3C)o2)C1 252553952 RKCYPQUMQZLZMO-ASJPCPMZSA-N 287.403 4.547 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]([C@H](C)O)C1 252785368 UUCNCMXPFUKMTI-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE C[C@H](CC#N)c1cccc2ccn(C3CCCC3)c12 259926354 DPTFWIUTVNMTQI-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ncc(Cl)n1C 311331151 HKBJDGZBDCSNRU-CYBMUJFWSA-N 286.847 4.638 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)cc(F)c1F 311431187 CULQOZMOLWTXKW-AWEZNQCLSA-N 273.342 4.725 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@@H](C)c2ccccc21 311448825 RMYJZAZAVJUMQF-CRAIPNDOSA-N 257.421 4.961 30 10 CJEE C=CCSC[C@H](NCCC)c1ccc(C(C)C)cc1 311463883 OYWQUNVFSYVZDL-KRWDZBQOSA-N 277.477 4.770 30 10 CJEE N#CC1([C@@H]2CCOC3(CCSCC3)C2)CCCCCC1 312613594 XHJBXHXYTIZMES-OAHLLOKOSA-N 293.476 4.543 30 10 CJEE CCCCCCCCNC1=N[C@H](CC)[C@H](CC)S1 313180099 IDSKQZATELDMAS-KGLIPLIRSA-N 270.486 4.597 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CCC[C@H]1C 317151275 ORNXZQDAYGEQPZ-TYNCELHUSA-N 295.220 4.558 30 10 CJEE CCCCCCCCCCCCNCC1=CCCOC1 379767837 LUZQFFYGINOOIQ-UHFFFAOYSA-N 281.484 4.844 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(C)c1F 380047855 PTUADLIIBMLIMX-MRXNPFEDSA-N 275.411 4.614 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(OC(F)(F)F)c1 394396767 DZFMYKDLYMOSIU-AWEZNQCLSA-N 287.325 4.722 30 10 CJEE N#CCc1cc(C(F)F)c2scc(Cl)c2c1 396185965 FIFKYRODFHLCAX-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)NC1CC(c2ccccc2C)C1 398172317 LPYWKXKWDGTOSH-KLAILNCOSA-N 257.421 4.575 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@H]2C[C@@H]2C1 403318019 GYVXSAVZLZNMPV-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=C(C)CCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCCC 403460134 ZUGVDYXLYXJYLJ-IXDOHACOSA-N 281.484 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C(C)C)[C@@H](C)c1ccsc1 421693544 RZRRHAHIRKTNPG-KBPBESRZSA-N 279.449 4.648 30 10 CJEE N#CCc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1 514262857 UMZZWEHKCNFENW-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H](CC)CC(F)F 688708504 KATNVDRWBWTCOD-DOMZBBRYSA-N 261.400 4.638 30 10 CJEE C[C@@H]1CCCCC[C@]1(C#N)Nc1cccc(Cl)c1 691099100 FQFMKXPICGAIAT-IUODEOHRSA-N 262.784 4.614 30 10 CJEE CCCCCCCCC[C@H](O)c1cc2c(s1)CCNC2 695561367 OJDDMZLQROLMGX-HNNXBMFYSA-N 295.492 4.568 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@@H](CCN)C(C)C 696223953 VTTURYVDTQXSKD-ROUUACIJSA-N 285.516 4.889 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(C#N)c(Cl)c2)CC1 697551760 SZWBQBSBURBCLO-JSGCOSHPSA-N 276.811 4.617 30 10 CJEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1 698460287 VBFIEZCBZPQLQA-UHFFFAOYSA-N 288.391 4.510 30 10 CJEE C=CCCC[C@@H](NCC)c1ccsc1Br 698678211 VETXFTSKUKNPGR-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCC[C@@H](O)Cc1csc(C2CC2)n1 698780942 NWZXFKCRADGRCT-OAHLLOKOSA-N 281.465 4.675 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@@H]1CCCC[C@H]1C 704951191 YXDTZUZQRLTIDH-UXIGCNINSA-N 277.795 4.782 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H](C)CC(C)(C)C 709133368 ZRLHDZMPVSESSL-RDJZCZTQSA-N 253.474 4.887 30 10 CJEE CC(=NO)c1ccc(C)cc1OC[C@@H](C)CC(C)(C)C 709234376 JZKACAYTMVTBBU-ZDUSSCGKSA-N 277.408 4.644 30 10 CJEE C=CC(C)(C)COC[C@H](NCCC)c1ccccc1Cl 709524985 IFLOMRQUBCIBFP-INIZCTEOSA-N 295.854 4.610 30 10 CJEE C[C@H](C[C@@]1(C#N)CCc2ccccc2C1)C(C)(C)C 711133778 POSOZRLHRCEXOV-KDOFPFPSSA-N 255.405 4.758 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC2(CCC2)O1 711484589 MGSRHONYUMFMSZ-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]21 712521223 ACUYCXXIVVBOQY-QZWWFDLISA-N 251.458 4.904 30 10 CJEE CCCCCCCC[C@H](N)CC[C@H]1C[C@H]1C1CC1 714780548 NNEUCOMGFYSCOB-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 715719697 KSYNUBIOARGKBW-JJRVBVJISA-N 295.854 4.688 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC3(CCC3)CO2)C1 716304138 JGDGOMZRDLQGJI-SOLBZPMBSA-N 278.436 4.511 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)C[C@@H](C)CO1 718447538 YWZWRHTYVHXVIJ-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C[C@H](C/N=C1/N[C@@H](C2CCCCC2)CCS1)C(C)(C)C 725107149 BJFGGJYNSILKSC-UKRRQHHQSA-N 296.524 4.700 30 10 CJEE CCCCCCCN1CCCC[C@H]1c1nccs1 740876344 RWHQXGFFTDKIDH-AWEZNQCLSA-N 266.454 4.641 30 10 CJEE ON=Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 1081387077 VQEBCDMUBZOTSB-UHFFFAOYSA-N 290.533 4.715 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc(Cc2ccccc2)cc1 1125682481 WQVYMZZITAQKPX-MRXNPFEDSA-N 294.394 4.785 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 1127523415 QIBOVHFMXWAFLH-WDSOQIARSA-N 299.458 4.506 30 10 CJEE C=CCCCCCCCNc1ncnc2cccc(C)c12 1163437022 IBHIBJSOWGUUCR-UHFFFAOYSA-N 283.419 4.877 30 10 CJEE C=CC[C@@H](NCc1ccc2ccccc2c1)c1ccncc1 1177885319 OYYJQYRWMPXTRV-HXUWFJFHSA-N 288.394 4.642 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@H](OC)C2(CC)CC)CCCC1 1182865257 WFKJKQMYXTXFBJ-SJORKVTESA-N 293.495 4.696 30 10 CJEE COC[C@@H](S[C@H](C#N)C1CCCCC1)c1ccccc1 1190209739 HVFVVNZMTZEVHM-IAGOWNOFSA-N 289.444 4.580 30 10 CJEE C=CC[C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1 1264099234 RPUHQSYPJKSWEY-INIZCTEOSA-N 285.774 4.638 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](C)c1ccc(C(C)(C)C)cc1 1308138943 APTLFYQYYDOFFE-WMLDXEAASA-N 257.421 4.696 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 1308780809 RGNFOOAHNRAGNY-HUUCEWRRSA-N 263.400 4.920 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(OC)c(Cl)c(OC)c1 1308810510 WWFXTXHOFLGUKF-LBPRGKRZSA-N 297.826 4.904 30 10 CJEE C=CC(C)(C)CC(=O)N(C)C1CCC(C(C)(C)C)CC1 1352880002 MAOWUMVOOLNHDM-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CCCC1(CNCc2ccc(C)c(F)c2)CCCC1 1461630755 KYSFILJWPWTIJH-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)[C@@H](C)CCCC)cc1 1462217597 CIWFBJIBGQRZAO-HOTGVXAUSA-N 275.436 4.556 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCCC(C)C)CCCCC1 1467629267 GXKZWECLYDBSOL-INIZCTEOSA-N 294.483 4.779 30 10 CJEE C=C(C)CCN(Cc1cc(F)ccc1F)C1CCCC1 1473211887 AIHKLFZBHXQWAM-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=C(C)CCN(Cc1ccco1)c1ccc(C)c(C)c1 1473257375 MDZUFPRKKBSJQB-UHFFFAOYSA-N 269.388 4.869 30 10 CJEE C=CCCCCCN1CC[C@H](C)[C@@H]1c1ccccc1 1473783495 KNENBLNCNYTAGH-FUHWJXTLSA-N 257.421 4.816 30 10 CJEE C#Cc1ccc(CNc2ccc(CCC(C)C)cc2)cc1 1474048176 QYPFEDYLNYKVST-UHFFFAOYSA-N 277.411 4.869 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)C1 1474395529 ZTWSXEVJLRPNMT-AGIUHOORSA-N 277.374 4.688 30 10 CJEE Cc1cc(CNC[C@H](C)CCC#N)ccc1-c1ccccc1 1474462813 HNUGGSLLISXTNS-MRXNPFEDSA-N 292.426 4.692 30 10 CJEE C=CCCCCCCNC(=O)N[C@H](C)CCC(C)(C)C 1477949044 GQYVNXIETFWKAX-OAHLLOKOSA-N 282.472 4.637 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c2occc12 1519989946 SIDWONOBOLKLBY-LLVKDONJSA-N 291.778 4.561 30 10 CJEE C=CCCCC(=O)N(Cc1ccccc1)C1CCCCC1 1526106535 DPZYQUHJMNNWQZ-UHFFFAOYSA-N 285.431 4.704 30 10 CJEE C=CCC1(NC(=O)c2ccc(CC(C)C)cc2)CCCC1 1532276767 QEDBWAQOBBCRGP-UHFFFAOYSA-N 285.431 4.504 30 10 CJEE C=C(C)CCC(=O)OCc1ccc(SCCC)cc1 1536682017 TXUHWIVVZHSHKC-UHFFFAOYSA-N 278.417 4.588 30 10 CJEE C#Cc1cccc(N(C(=O)C=C(CCC)CCC)C(C)C)c1 1537135145 SHRMGBWMRKUENY-UHFFFAOYSA-N 297.442 4.936 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccc(-c2ccccc2)cc1 1540193508 PRIWVTYITUAMCO-UHFFFAOYSA-N 293.410 4.686 30 10 CJEE C=C(C)CCN(Cc1c(C)cccc1C)CC(C)C 1559935560 NOIZYOFMDLYOOE-UHFFFAOYSA-N 259.437 4.728 30 10 CJEE C=C(C)c1cccc(NC2C[C@@H]3CC[C@H](C2)S3)c1 1561039507 UCMHICRPTPFQSF-MQVJKMGUSA-N 259.418 4.558 30 10 CJEE C#CCCCCCC(=O)N[C@H](CC1CCC1)c1ccccc1 1583762266 PBSSRDWCUJWWHU-LJQANCHMSA-N 297.442 4.618 30 10 CJEE FC(F)(F)c1cccc(C#Cc2ccc(Cl)cc2)c1 1614730609 FZCOHPBLQUXOAI-UHFFFAOYSA-N 280.676 4.759 30 10 CJEE C=CCNCc1cc(F)ccc1Oc1ccc(Cl)cc1 1620704108 RVIVRJSPIXKQGQ-UHFFFAOYSA-N 291.753 4.547 30 10 CJEE C=CC(C)(C)CCNCc1ccc2cc(OC)ccc2c1 1621016728 VHJKBTBSSZIYOZ-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)Cc2coc3ccccc23)c1 1621389874 AVZWJJYCENIHFZ-CQSZACIVSA-N 290.366 4.656 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)[C@@H]1CC2CCC1CC2 1621510902 KZOBKKHJBSSDAA-OTBWCIGPSA-N 263.469 4.783 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC[C@H](C)c1ccccc1 1625512820 PLGXPDRPFHNLBG-INIZCTEOSA-N 287.447 4.679 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1NCc1ccccc1C 1637485524 HLWVCUZDTDGJAK-UHFFFAOYSA-N 294.398 4.512 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@H]1CCC(C)C 1645312159 SXGSUEVYQTYESK-ROUUACIJSA-N 263.469 4.765 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(OC(C)C)c(Cl)c1 1654323136 IKOZLRLHBZQAQM-OAHLLOKOSA-N 293.838 4.668 30 10 CJEE C=CCC1(CNCc2ccc(OCC)cc2C)CCCC1 1656241454 KQTBDIZZJTVCPB-UHFFFAOYSA-N 287.447 4.620 30 10 CJEE C#CC[C@H](NC[C@@H]1CCC[C@H](CC)C1)c1ccccc1 1657594617 XAACCQOMEGQAHZ-SCTDSRPQSA-N 269.432 4.557 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1657948648 YHVGYHODYAUKHE-KXBFYZLASA-N 271.448 4.890 30 10 CJEE C#Cc1ccc(NC[C@@H]2CCC[C@@H](C)C2)c(Cl)c1 1665800766 VHWXRLBCZUKNOG-TZMCWYRMSA-N 261.796 4.560 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cccc(C(=C)C)c1 1675381901 PNYNSUYJSSOJBF-AWEZNQCLSA-N 272.392 4.586 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 1874596690 YPPGTLMNVRCPRZ-PKNBQFBNSA-N 294.394 4.988 30 10 CJEE CCCCC[C@H](CC)N(C)c1c(C)cccc1C#N 1879294970 NHENGVRVSUQBMI-INIZCTEOSA-N 258.409 4.662 30 10 CJEE CC#CCCC[C@@H](NCC)[C@@H]1CCCCC12CCC2 1879651438 SLSOYYXLHKGZBL-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)c1ccc(Cl)s1)C1CC1 1887476847 WBUGRRHKCFZZMJ-KBPBESRZSA-N 295.879 4.882 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H](CC)CC(C)C 1888675691 SFYOMGWMQNDQMA-WMZOPIPTSA-N 259.437 4.750 30 10 CJEE C=C(C[C@@H](NC)c1ccccc1Cl)c1ccccc1 1888700423 FSFIBDAXGIDTLQ-QGZVFWFLSA-N 271.791 4.704 30 10 CJEE 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GMYVCVXIBKZOIW-JTQLQIEISA-N 294.386 4.912 30 10 CJEE C=CCCCCCCC[C@@]1(C=O)C[C@H](C)O[C@H](C)C1 2227266296 UJGWZNZQXNQDBV-FVQHAEBGSA-N 266.425 4.676 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2227287495 LSGCTWHZOKHIAH-SNPRPXQTSA-N 270.363 4.764 30 10 CJEE C=CCCCCCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCC 2227287717 MPKXEOLPXVXHBZ-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCCCCOCc1ccc(CN[C@H](C)CC)s1 2230202574 GFEWMRHXGGTPRE-CQSZACIVSA-N 281.465 4.509 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](NCC)C1(C)C 2231015144 IEPRGOZTIVQAAO-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@]1(C)CNC[C@H](C(C)(C)C)O1 2231930806 SEHWEAKRSJYSKB-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CC[C@H]2C(F)(F)F)CC1 2232562678 FZPSRYNGZRSOOU-ZNMIVQPWSA-N 289.385 4.690 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(Cl)cnc1OC 2232982770 MQNVWASWUCJKKS-OAHLLOKOSA-N 296.842 4.531 30 10 CJEE CCCCC#CC[C@@H](Cc1ccc(F)c(Cl)c1)NCC 2233363876 IDCPCWBQVZPPFE-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE C=C[C@@](N)(C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)C(C)(C)C 2233587314 YWSHCMLWDRRRRT-HLPPOEQASA-N 285.422 4.768 30 10 CJEE CC#CCCCC[C@@H](NCC)C1C[C@H]2CCC[C@H](C1)C2 2233657827 UFTRMELPTWFZFO-JENIJYKNSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccncc1C(F)F 2235522512 VGIKQBAJBXHXFN-OAHLLOKOSA-N 283.362 4.969 30 10 CJEE C=CCCCCCCCC(=O)C[C@H](N)c1ccccc1 2235523976 LEMWRLQRHHDPJB-SFHVURJKSA-N 273.420 4.562 30 10 CJEE C=CCCCCCCC[C@]1(C=O)CCc2ccccc21 2235527822 ZDQGGEVEKQPBSU-LJQANCHMSA-N 270.416 4.986 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)([C@@]2(C#N)CCCC2(C)C)C1 2238154494 HIKGSXKRZILTPT-OLMNPRSZSA-N 277.452 4.674 30 10 CJEE C[C@H](CC(C)(C)C#N)NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2239199077 WWAKHROKYSCSIJ-WCXIOVBPSA-N 276.468 4.511 30 10 CJEE CCCCCCCCCOc1ccc(N)c(OCC)c1 2239455213 TUTVBUSOTNCUDB-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](NC)[C@H]1CC 2239492129 HTQRHPVWECEOCQ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CC[C@@H]1C(=O)O 2239502387 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BUKNTYNYVUCLIF-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE CCCCCCCCCC1CC([C@@H]2CCNC2)C1 2254291895 SLGSGTRNUPCOHM-AQFXKWCLSA-N 251.458 4.763 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@@H](C(F)F)[C@@H]1C 2256100388 WWLKNYVXBVJBFC-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CCCCC(F)(F)C1 2259165011 WYRVNFFIJYRSQN-CYBMUJFWSA-N 258.352 4.908 30 10 CJEE C=C(C)CCCC[C@@H](N)c1csc(C(F)(F)F)c1 2259213251 UIAATUSQSXSNNR-LLVKDONJSA-N 277.355 4.903 30 10 CJEE C=CCCCCC[C@H](CCC1CC(C)C1)NCC 2261489593 OFZAWYNCNOORCE-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=C([C@@H](O)c1sc(C(F)(F)F)cc1C)C(C)(C)C 2263311861 WCHXIFLIRUAXKH-SNVBAGLBSA-N 278.339 4.711 30 10 CJEE CCC[C@@H]1CCC[C@H]1Nc1cc(C)c(C#N)c(C)c1 2265863046 YSQVPHSKOKLAOA-RHSMWYFYSA-N 256.393 4.556 30 10 CJEE CCC[C@H](CC(C)C)[C@@H](O)CC=CC#CC(C)(C)C 2268829447 GPACECQTBBFCOP-SJORKVTESA-N 264.453 4.806 30 10 CJEE C=C[C@@H](C)C[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2269708383 TXTCPFKIRVMELV-NOZJJQNGSA-N 291.744 4.832 30 10 CJEE C=CCCCS[C@H](C)[C@H](NCCC)c1ccccc1 2271499605 ZVGKKVJPGVCGOH-WBVHZDCISA-N 277.477 4.815 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cscc1CC 2273986758 BEFNNRNUNXKDFZ-KRWDZBQOSA-N 275.461 4.545 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC2(C)C)c(F)c1F 2274090867 JPZOFNDNNZSVDJ-INIZCTEOSA-N 263.331 4.536 30 10 CJEE CCCCN(CC#CC1CCCC1)C1CCCCC1 2274123175 UKKHFJIPLMQYMG-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C[C@@H]1C[C@@](C=O)(CC2CC(CC(C)(C)C)C2)CCS1 2274150022 GPJQRPHCOCESBP-ARAOSMHQSA-N 282.493 4.940 30 10 CJEE CCC[C@@H](CC(C)C)[C@@H](O)C#Cc1ccccc1Cl 2277844081 DGOGKWMUVBWOQZ-RDJZCZTQSA-N 278.823 4.515 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)CCCCCN 2278109135 HVABFIGPRYELMM-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=C(COC(C)C)[C@](C)(O)CCCCCCCCC 2278179447 ZHKDRRDMNVJFCH-QGZVFWFLSA-N 270.457 4.859 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(CC)NCCC 2278321605 OWKBVWDGGPEWDX-HOTGVXAUSA-N 284.513 4.608 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@@](C#N)(CC)NC 2278323452 KKDROQHTOKGZKA-HZPDHXFCSA-N 284.513 4.608 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)c1csc(C)c1C 2279145588 ZXMBANNNMMZKHD-DLBZAZTESA-N 297.508 4.737 30 10 CJEE C#CCCCC[C@@H](C[C@H]1CCCCC12CC2)NCCC 2279521883 MDHNQVDWNLCLGB-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCCNCc1ccc(O)cc1C 2283013828 DUGFBNKHEHOMQR-UHFFFAOYSA-N 277.452 4.931 30 10 CJEE CCCN[C@H]1[C@H](CC=CC#CC(C)(C)C)CCC[C@H]1C 2284115777 NMAWCXNWRXLHCK-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C(C1CCC1)C1CCC1 2284135300 OCVIWNDACPGBJS-KRWDZBQOSA-N 274.448 4.560 30 10 CJEE C=CCCSCc1ccc(-c2ccccc2CN)cc1 2287071726 JLWPEILPJPMFPL-UHFFFAOYSA-N 283.440 4.622 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](C)[C@](N)(C#N)C1 2287093343 DAAKTPARDAIRNM-GVDBMIGSSA-N 294.508 4.656 30 10 CJEE C=C(C)CCCC[C@H](N)C1(c2ccccc2)CCCC1 2287414326 PARDVWJGRHSVSK-SFHVURJKSA-N 271.448 4.962 30 10 CJEE CCC[C@](C=O)(CC)CN(CCC(C)C)CCC(C)C 2287683890 UTDLGQGPXTZOPR-GOSISDBHSA-N 283.500 4.776 30 10 CJEE CCC[C@@H]1CNC(=NCC[C@H](C)CCCC(C)C)SC1 2287980524 CBMQHTOIEWCSER-HZPDHXFCSA-N 298.540 4.948 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1c(F)cccc1Cl 2289672267 PDYZWSIELHNNSZ-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@]1(C)CC=CCC1 2289700816 QBAPNWZDQMDDEZ-RTBURBONSA-N 273.464 4.685 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CCC1CCCCC1 2289776133 BNCPAARBRDXDOF-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC(C)(C)C1CC1 2289791921 UEQFMYVARWKSGI-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@H]1C)OCCC(=O)O 2290777261 XEMFUSIOSQXFQG-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE C=CCCCCC1(OCC(=O)O)CCC(CCC)CC1 2291462404 UVAIOYBOMJEHBZ-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](CC(C)C)OCCC(=O)O 2291817536 IZJQTDDSYYXITK-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE C=CCCC[C@@]1(OCCCN)CCC[C@H](CCC)CC1 2292730262 ZREQPVSFMSOPPI-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1ccccc1Cl 2292808405 COPCEIXFCCASTM-KRWDZBQOSA-N 295.854 4.883 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1CC2(CC2)C1 2293356840 LLFGOWPQSILFJA-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)C1CCC(F)CC1 2293647305 IEZGQIBTQWEITJ-JCYILVPMSA-N 287.463 4.609 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)C[C@@H](C)[C@H]1C 2293704935 FOEVTVRANVLYNC-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)c1cnc(C(C)C)s1 2294368575 RGERIZJMLXFVGN-AWEZNQCLSA-N 298.496 4.643 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CC(C)(C)CCC1(C)C 2294557097 RCXPRUZIKJIYRY-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)C1(CC)CCCC1 2295221955 OFNRWKDXLZFJRV-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C1CC2(CC2)C1 2295601274 MZVMTKQVKKIIIA-QGZVFWFLSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1cnoc1C 2295668582 JZBGDNAWNOFDMP-OAHLLOKOSA-N 280.456 4.644 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ncoc1C 2295668685 LRFMMWAKZRRHJI-OAHLLOKOSA-N 280.456 4.644 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)C1CCC1 2295678459 YTHHZWMYDALPJZ-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE C=C([C@H](N)[C@](C)(O)CCCCCCCCC)C(C)(C)C 2295681025 CIBAZDYYHQOKDJ-FUHWJXTLSA-N 283.500 4.808 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C 2308642834 NIMMIJMRGNDRQW-VQHPVUNQSA-N 251.458 4.639 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1ccc[nH]1 2311489358 BCOBXVCPCHTYLE-UHFFFAOYSA-N 294.398 4.519 30 10 CJEE C=CCC(CC=C)Sc1cc(NCCC)ccn1 2313529711 SEKJCUCEPUPVNI-UHFFFAOYSA-N 262.422 4.516 30 10 CJEE CCCCCCCCCCC[C@@H](O)C#CC1CC1 2315776181 LBZABZHVIBWJHA-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE C[C@@H](CCSc1cc(Cl)c(F)cc1C#N)C(F)F 2316613812 SYHGEBMKRNDKFW-ZETCQYMHSA-N 293.741 4.734 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCCCCC1(F)F 2316735111 ZJKJEPAUCWICSN-ZDUSSCGKSA-N 256.336 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1csc(C2CC2)c1 2316739071 NRWAZMYGIPUHKD-INIZCTEOSA-N 261.434 4.654 30 10 CJEE C=CCC[C@H](C)[C@H](N)CCc1cc(Cl)cc(Cl)c1 2318603240 IZFQWIJKPWVYRZ-XHDPSFHLSA-N 286.246 4.856 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(C)c2sccc2c1 2321099598 TXNGTIAEFSWVHK-IAQYHMDHSA-N 259.418 4.682 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)cc1C 2321107083 DAOXDTKUGFUZNN-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE CC(C)C[C@H](CS)COc1ccccc1C(C)C 2328522111 RWJXRWCZPAOCJE-AWEZNQCLSA-N 266.450 4.781 30 10 CJEE CCc1cscc1Nc1ccc(C#N)c(SC)c1 2328531928 DKMITCQMTUAAMC-UHFFFAOYSA-N 274.414 4.648 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329821197 GAGPIERDRVNPDO-KFGODFMUSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CC)CC[C@@H]1C(=O)O 2335095028 WSNMWNNZILWOGM-VHDGCEQUSA-N 282.449 4.520 30 10 CJEE C=CC[C@H](C)SCCC[C@H](NCC)c1ccccc1 2335102347 AWDLZEHJPJSCIL-RDJZCZTQSA-N 277.477 4.815 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2ccc(C)cc21 2337064510 SXUSWFUMESLOKS-GXTWGEPZSA-N 272.417 4.551 30 10 CJEE C=C(C)C[C@H](NCCC)c1c(F)ccc(CC)c1F 2341928033 DGLRQUZQCAXWQD-AWEZNQCLSA-N 267.363 4.534 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H]2C(C)(C)C)c1C#N 2343164936 IMYBFPZEPGRQEV-TZMCWYRMSA-N 274.433 4.517 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc(C2CCC2)c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c2ccccc2)C1 2358878184 TZDOCBRJUDKXIN-CGTJXYLNSA-N 269.432 4.555 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2359314818 TYCZGEAEEXBLSO-XWSJACJDSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC1(F)F)OCCCN 2360460154 AHJPDPUYKBJIPC-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE Cc1ccc(C)c(-c2[nH]c3ccccc3c2CC#N)c1 19725579 AWSCJTNQSDDLIR-UHFFFAOYSA-N 260.340 4.518 30 10 CJEE C=CCC[C@H](CC[C@H](C)CCOC(C)=O)C(=C)C 34571492 UJJKWQRTTYLTQL-GOEBONIOSA-N 252.398 4.514 30 10 CJEE N#Cc1cccc(NC(c2cccs2)c2cccs2)c1 37203244 HJYNSGVTRFUCMM-UHFFFAOYSA-N 296.420 4.883 30 10 CJEE C[C@@H](S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 43513136 QCKPUXYMYUDRGN-RXMQYKEDSA-N 274.229 4.715 30 10 CJEE N#C[C@@H](CCOc1ccccc1Cl)c1ccccc1F 57686638 IYLZSSHNVFLWAU-GFCCVEGCSA-N 289.737 4.555 30 10 CJEE CCCCCCCCCSc1ncccc1N 59192827 AQKAQPCKLHKUIQ-UHFFFAOYSA-N 252.427 4.507 30 10 CJEE CC1(C)CCC[C@@](C#N)(NC2CCCCCC2)CC1 86914928 KNSMSBFVYCUBKA-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)CC1 86949130 XLVHODMAHWYQKZ-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE Cc1ccccc1SCC1(CS)CCCC1 87097667 FJJBTVNZHCHEBF-UHFFFAOYSA-N 252.448 4.577 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCCc3ccccc32)cc1 87930114 HKIKSPGLRPXORK-FQEVSTJZSA-N 275.395 4.589 30 10 CJEE Cc1cccc(Cl)c1N[C@@H]1CCCCC[C@H]1C#N 90531445 LXZJHBVXGKWCTG-GXTWGEPZSA-N 262.784 4.533 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)Nc1cccc(Cl)c1 94281619 ZRZTZRCCDZRBSQ-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE SCC1(CN(Cc2ccsc2)C2CC2)CCCCC1 94580659 MCNHXSPYJKGPCI-UHFFFAOYSA-N 295.517 4.593 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc2ncccc12 97219811 WDWJOURSYVSOPG-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE N#CC1(Sc2ccc(Br)cc2)CCCCC1 97241651 WNEKFKPUPMGKQO-UHFFFAOYSA-N 296.233 4.768 30 10 CJEE CCCCCN(C)CCCCCCCCCS 97799211 SPAPTPLDQXCNHB-UHFFFAOYSA-N 259.503 4.769 30 10 CJEE CCCCCCCCC[C@@H](CSC)NCCC 103942305 BJDUWGFTCOAJLB-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE Cc1ccccc1Sc1ccc(C#N)c(Cl)c1 104182683 DUUBNAGGJMONSE-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C=CC[C@H](CC)c1cc(C(F)(F)F)ccc1OC 107474234 GKCDETGDPQZUHA-JTQLQIEISA-N 258.283 4.784 30 10 CJEE CCOc1ccc([C@@H](C)CCS)cc1C(C)C 107598449 LITSARYICSHVCO-LBPRGKRZSA-N 252.423 4.632 30 10 CJEE CCCCCCCCC[C@@H](CCOC)NCCC 109729223 WHXQGVJFOWGPRI-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCO[C@H](c1sccc1C)[C@@H](N)CC 109987349 DNEDHZBBCTYOEB-GJZGRUSLSA-N 283.481 4.822 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1ccc(C)cc1 110081578 ASUUFFZSXHDJMF-GOSISDBHSA-N 277.452 4.633 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)cc1 110252120 BNMZDJGAUGGYFB-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE Cc1ccc(C)c(Oc2ccc(C#N)cc2Cl)c1C 110262296 VNFVHRHKJONGAR-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CC[C@H](Nc1cc(Cl)ccc1C#N)C1CCCCC1 110465529 BEKKFFJHYMZOQJ-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCOc1cc(C)sc1C(=O)O 112318435 KSFLKGAPDGKEMW-UHFFFAOYSA-N 284.421 4.884 30 10 CJEE CCCCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1CC 114064167 HSGKZKZRRWTTAM-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@@H]2C=C[C@H]1C2 124744097 NSUFUPTZOYDJGO-SQNIBIBYSA-N 263.469 4.929 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](CCC)OCC 125914861 FBRASSKTSQPPGE-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](OCC)C(C)C 128655463 JLYBMFICKFMTNC-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCN1CC[C@@H](CNCC(C)C)C1 129394313 HSZZEVRZUVUDTQ-IBGZPJMESA-N 296.543 4.695 30 10 CJEE CC(C)c1ccc(Oc2cc(C#N)ccc2[C@H](C)O)cc1 131676964 IXSVKJKQGYGEEJ-ZDUSSCGKSA-N 281.355 4.527 30 10 CJEE CCSc1cccc(N(C)[C@@H](C)CC(C)C)c1C#N 136647117 ODVHXTYROCLOAQ-ZDUSSCGKSA-N 276.449 4.541 30 10 CJEE C=CC[C@@H](C)N[C@@H](Cc1cccs1)c1cccs1 163310408 JOTYCSZTKGMYHT-OCCSQVGLSA-N 277.458 4.648 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCO[C@@H]1C1CC1 166255943 VMLPETITGXWCSG-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccncc1Cl 166889890 YLMWHUJLHKCWNO-HNNXBMFYSA-N 282.859 4.746 30 10 CJEE CCCN[C@@](C)(C#N)CCCCS[C@@H]1CCC[C@@H](C)C1 226544913 ZXELIGDCGRGEMT-BRWVUGGUSA-N 296.524 4.750 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCOC2(CCCC2)C1 228787396 NODGYTQPGQKRKX-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE C=CCC[C@@H](C)Nc1c(Cl)ccc2scnc12 228818772 ALZRWGOWMHHMBB-SECBINFHSA-N 266.797 4.716 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCO[C@@H]1CC 232964278 PBLSJGKVEHAACH-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1Cc2ccccc21 233124440 VRAVESIIXYWZGR-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)ccc2Cl)CCCCC1 236572336 MNJCFTQUPFOUBM-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1c(Cl)cccc1Cl 251086116 NJHCZFIVSYMQGP-LNLATYFQSA-N 259.176 4.664 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@H]1C 251458014 ANISDYJIVQYTHA-FIXISWKDSA-N 296.336 4.814 30 10 CJEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)C=CC[C@H]12 253644690 HNDHDMOSWUAEAW-FVVUREQNSA-N 270.416 4.684 30 10 CJEE Cc1cc(C=Nc2ccc(O)cc2)c(C)n1-c1ccccc1 254443308 YBAQZGVENMNDFV-UHFFFAOYSA-N 290.366 4.550 30 10 CJEE CCn1c([C@H](C)CC#N)cc2c(C(F)(F)F)cccc21 259951691 GTWASKBZAUAXGF-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE Cc1cn(C(C)C)c2cccc(CC(C)(C)C#N)c12 260537117 XTRMZWQCTJZZRF-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C)cc(C#N)c2)cc1 308122495 OQCKXMZSERXUMS-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1 308158330 UVOFOYXRCYIKNY-SJORKVTESA-N 270.420 4.884 30 10 CJEE CCC(=CC(=O)CCc1ccc(Cl)cc1)CC 308572650 CNOWTUXRVZPRKC-UHFFFAOYSA-N 250.769 4.588 30 10 CJEE CCCCCCCCCC[C@]1(F)CCNC[C@H]1C 311098575 BWXRJCRTOIYJBQ-CVEARBPZSA-N 257.437 4.855 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2ccc(F)cc2s1 311324725 CCFMQLHZWCTHAN-UHFFFAOYSA-N 274.360 4.663 30 10 CJEE N#C[C@@]1(Nc2ccc(F)cc2)CCCC12CCCCC2 313039831 PPSXERVWAKMISN-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1ccc(Cl)c(Cl)c1 317357590 ZLUBFTJADBDALD-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE CCCCCCCCCOc1cccc(CN)c1Cl 328203775 GXGZXRDLZBEOKX-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE O=C(C1=CCCCCCC1)c1coc(Br)c1 378953635 RVVOXNYRESOMLM-UHFFFAOYSA-N 283.165 4.505 30 10 CJEE CCCCCCCC[C@@H](CN1CCCCCC1)NCC 381270435 CJYMPKVXHGPDHW-SFHVURJKSA-N 282.516 4.591 30 10 CJEE Cc1cccc(N=C2N[C@H](C3CCCCC3)CS2)c1C 386043701 TYPQPSTYBMSSMU-INIZCTEOSA-N 288.460 4.576 30 10 CJEE CC1(C)CCC(CNC[C@H](C#N)C2CCCCC2)CC1 397133244 AHILNUPSTJSAAQ-KRWDZBQOSA-N 276.468 4.512 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1C[C@H]2C=C[C@H]1CC2 402270459 SCBFSOBMFSGRBH-LUKYLMHMSA-N 250.426 4.700 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 466436754 QETDTXFFYNQGJQ-JENIJYKNSA-N 299.458 4.631 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C 466439563 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UJLRMXQLGCJYBR-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCN(c1ccc(C#N)c2ccccc12)[C@@H](C)C(C)C 706508856 TWMLPURWEDDKSY-AWEZNQCLSA-N 266.388 4.582 30 10 CJEE C=CC[C@H](C=C)O[C@H]1CCCCCCCCCC[C@H]1O 706664001 RFPLJEXFZPZKQB-KSZLIROESA-N 280.452 4.778 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](C)CC(C)(C)C 708256853 VVEMVOSCBMSQRL-JKSUJKDBSA-N 265.485 4.867 30 10 CJEE C[C@@H]1C[C@H](N(C)CC2(CS)CCCC2)CC(C)(C)C1 708583189 FBFHPEJJNUYTJW-CABCVRRESA-N 283.525 4.623 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 715813180 JTVBVVRMKBFFTF-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cc(F)cc(C#N)c1 718627785 RRRLWQOMPQKCQO-CVEARBPZSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCC[C@@H](O)CCCCNCC 724695704 CPMIEQOJBVEOIC-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@@H](N)C(F)F 724734370 MJFBKPIACOVQHC-LSDHHAIUSA-N 293.442 4.641 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 1127370547 NGGCRHJWNZITCK-IBGZPJMESA-N 299.458 4.604 30 10 CJEE 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274.795 4.594 30 10 CJEE C=CCCCCC(CC(C)C)(CC(C)C)OCCN 2276521139 QWHPOTVWXLFVTG-UHFFFAOYSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)C=C(C)CC1 2276637014 WBGLMGHJZKSWCK-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@](CCC)(OCCCN)C1CC1 2276754115 HIVWKNKNGKFIGW-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)n1cc(N)c(CC)n1 2278170415 BCLRLNOPGOWNOG-CQSZACIVSA-N 265.445 4.729 30 10 CJEE C=C1CCC(CN2CC(F)(F)C[C@H]3CCCC[C@H]32)CC1 2279694857 RYFCWWBFAXJQTR-HZPDHXFCSA-N 283.406 4.633 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc3cccnc3s2)CC1 2280195542 NANJFTUWGSJXBE-HNNXBMFYSA-N 286.444 4.693 30 10 CJEE Cc1cc(N[C@@H]2CC[C@@H](C)[C@H]2C(C)C)cc(C)c1C#N 2280571051 VNHPIFBZTWLBAH-NXOUGTEYSA-N 270.420 4.658 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cccc(OC)c1Cl 2283311622 PHPUHWSSHIQOBN-OAHLLOKOSA-N 293.838 4.583 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc(OC)ccc1Cl 2283348694 ZTNKBHIHRZTVQF-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(CCC)cc2)C1 2283545893 VPEPGUQJLJNEDW-GOSISDBHSA-N 271.448 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C=CCC(CC=C)[C@@H](NCCC)C(C)(CC)CC 2316728768 IHEGXDMYGGZUCX-MRXNPFEDSA-N 251.458 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1c(Cl)ccc(F)c1F 2321095100 GCAAIGLBYKPCKF-KBPBESRZSA-N 273.754 4.610 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1c(F)ccc(F)c1Cl 2321100674 DKNNSMRNHPVZEG-KBPBESRZSA-N 273.754 4.610 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)NCCC 2321100729 DNWKCZLDTXQNKQ-HMDCTGQHSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccsc1C(F)(F)F 2321101988 NFLOEQGSAOIFMW-CMPLNLGQSA-N 277.355 4.759 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H](C)C(F)(F)F)NCC 2321117279 NTPTWMCJKIRXJN-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE C=CC[C@@H](CC)Nc1cc(Cl)nc2ccccc12 2321124581 DWXACTYDHBLOJM-LLVKDONJSA-N 260.768 4.655 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@@H]1CCC12CCC2 2327112194 IEDAXYWHHZOGLI-ZFWWWQNUSA-N 270.482 4.566 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]1C(F)(F)F 2329284646 IQCUAHOMRPVRLK-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@H]1OC 2335073247 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CC(C)(C)[C@@H]1CC[C@H]1CNc1cccc(Cl)c1C#N 2343118654 TYTIBWOEYAGORY-WCQYABFASA-N 276.811 4.696 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncc(C(F)F)s1 2343513792 IYXVHVBVCCUOBB-NSHDSACASA-N 288.407 4.997 30 10 CJEE C=CC[C@H](C)[C@@H](CC#CC1CCCCC1)NCCC 2344349324 RUEQAKDYPNBXQO-FUHWJXTLSA-N 261.453 4.541 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344789303 LGYAIDUEERQJRS-OLZOCXBDSA-N 276.342 4.895 30 10 CJEE CCCCCCC[C@](C)(Nc1csc(C)c1)C(=O)O 2348341274 TYWCBIXMYIELLD-HNNXBMFYSA-N 283.437 4.672 30 10 CJEE N#Cc1ccccc1NCc1cc(F)c(Cl)cc1Cl 2349789135 DGKXBEBRHQJERR-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C#CC[C@@H](CC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1 2349852858 LOUJKCNDEUAPJT-JTQLQIEISA-N 299.172 4.755 30 10 CJEE CCCCCCC[C@](C)(N[C@@H](C)c1ccsc1)C(=O)O 2353869438 HZDOFWYBGMAVQI-BBRMVZONSA-N 297.464 4.603 30 10 CJEE CC[C@@]1(C)CCSC(=N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138369 OVCNWTZNHMVHLT-ABFRBSLYSA-N 294.508 4.597 30 10 CJEE Cc1cc(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)ccc1C#N 2354887440 VZGYYHLQWNLINO-WBAXXEDZSA-N 268.404 4.638 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H]1C[C@H]1CCC 2359929479 KCXYOOJIWSRBAL-BZUAXINKSA-N 284.440 4.643 30 10 CJEE Cc1cccc(N[C@H](C#N)c2c(F)ccc(C)c2Cl)c1 2360547119 RORSRHVXHBXMQR-CQSZACIVSA-N 288.753 4.773 30 10 CJEE N#CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 19725582 IUOGWEIULUTCAS-UHFFFAOYSA-N 266.731 4.554 30 10 CJEE N#Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 19767342 OHEQEYASWHBBSM-UHFFFAOYSA-N 295.345 4.540 30 10 CJEE C#Cc1cccc(N[C@H]2CCC(C)(C)c3ccccc32)c1 20525502 GAKKCWSHXHJSIN-IBGZPJMESA-N 275.395 4.893 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(CCC)cc2)c1 21009318 XGIVDIAMIAUGAM-HNNXBMFYSA-N 263.384 4.794 30 10 CJEE N#Cc1ccc(NC2CCC(c3ccccc3)CC2)cc1 21500741 OPNZMKIPKYCZOP-UHFFFAOYSA-N 276.383 4.697 30 10 CJEE Cc1ccccc1[C@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922275 TUYAHYRSQGZMBV-HNNXBMFYSA-N 278.399 4.969 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2ccc3c(c2)CCC3)cc1 57684947 XICBKHKEEGMDQF-IBGZPJMESA-N 291.394 4.560 30 10 CJEE CCCCCCCOCc1ccc(Cl)c([N+](=O)[O-])c1 59213243 NHRRBONGSAQPBO-UHFFFAOYSA-N 285.771 4.735 30 10 CJEE CCCCCCCCOc1ccc(C)cc1C(C)=O 59295491 QACLUUARFAWGSM-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE Cc1ccc(C[C@@H](C)Nc2cc(Cl)ccc2C#N)s1 80245115 KUBUMDBRNIWZOC-SNVBAGLBSA-N 290.819 4.625 30 10 CJEE C=CCC[C@@H]1NCCc2ccc(Oc3ccccc3)cc21 83708813 DJYMBSCYMCLSOO-IBGZPJMESA-N 279.383 4.632 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)c2sccc2C)CC1 91885104 CDPBATYGQODDMH-ARWYELJZSA-N 291.460 4.764 30 10 CJEE C=C(C)C[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 92129549 JSIYTRCNFXHLQY-LESVLKBLSA-N 261.453 4.537 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OC[C@@H](CS)C(C)C 94584360 BDDVYSBGEZBNLB-AWEZNQCLSA-N 280.477 4.873 30 10 CJEE CCCCCCC(=O)[C@@H](C#N)c1c(F)cccc1Cl 97469433 CBFRJBFAIMYBBR-LLVKDONJSA-N 281.758 4.626 30 10 CJEE CC[C@@H]1CCC(=O)N(CCCCCCCCCS)CC1 97799991 FFRNNACNJPHGRN-MRXNPFEDSA-N 299.524 4.686 30 10 CJEE CCCCCCCCCCOc1ccccc1CN 109685564 FLIBUGCFEOXATG-UHFFFAOYSA-N 263.425 4.665 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1)NCC 109721408 APFVXMCJTHGURM-SFHVURJKSA-N 261.453 4.958 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@@H]1C(C)C 114058687 MSHBNIKYIJWORR-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NCC1(C)C 115250039 YYEHEZQUPGYOTG-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C1CCOCC1 115761933 YRFYCPJYLQGRJW-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc2c(c1)CCO2 115855911 OEICMASULLBGGI-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCCCNc1cc(C)nc2ccc(N)cc12 122090025 BCVRDXSQKPQFAV-UHFFFAOYSA-N 285.435 4.898 30 10 CJEE CC(C)CCC[C@@H](C)n1c(S)nc2ccc(C#N)cc21 124995441 AOZWJJAKENHZKW-GFCCVEGCSA-N 287.432 4.584 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](CC)OCC 125107770 BMTDSYFZMJXFRN-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cc(O)ccc1O 129226885 MXEWKQVAAVCMKQ-OAHLLOKOSA-N 293.451 4.889 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(C#N)Nc1cccc(Cl)c1 156059315 QOLZOMAMFFZIMH-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CSc1ccc(OCc2ccc(C#N)cc2Cl)cc1 162989917 HVJYBILGAPDTIS-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)cc2F)C1 164666446 VDQODFKAIMAMCF-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCN(CCC)[C@](C)(C#N)Cc1cccc2ccccc12 212321810 JCZCJOCCELHGPG-FQEVSTJZSA-N 294.442 4.787 30 10 CJEE N#Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 227635213 OOTGASKMVOKZSR-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CC(C)CCCCCCNCc1ccc(C#N)cc1Cl 232538015 FHGHZSGWSQCEGT-UHFFFAOYSA-N 292.854 4.908 30 10 CJEE CCCCCCCCC[C@H](O)C1(C#N)CCCCC1 232929791 UWAWTWGLYHLYIL-INIZCTEOSA-N 265.441 4.962 30 10 CJEE C[C@H]1CCC[C@@H](Oc2ccc(C#N)c3ccccc23)C1 235717394 ACXIXGDBJJTZOK-DZGCQCFKSA-N 265.356 4.669 30 10 CJEE CCCCCCCCNc1cc(F)cc(OC)c1 310731337 WPRRLNLLQHZVBZ-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE Cc1cccc(N[C@H](CC#N)c2ccccc2)c1Cl 311489033 NBHHUDVWSVQSQX-CQSZACIVSA-N 270.763 4.715 30 10 CJEE CCCC1CCC(C#N)(CC2(COC)CCC2)CC1 311514630 AIGFKJQSLJKCCI-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE C=C([C@@H](NCC)c1ccc(C(C)C)cc1)C(F)(F)F 311570037 ZXVALRATRZLPJZ-CQSZACIVSA-N 271.326 4.579 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 317028034 SIAWHNUZVQDDLQ-IUODEOHRSA-N 284.321 4.643 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(Cl)s2)CC1 317802419 BOKGHOFOWCZFRW-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE CCSc1cccc(N[C@H](CC)C2CCC2)c1C#N 324750918 SHBSITMYPFENRD-CQSZACIVSA-N 274.433 4.661 30 10 CJEE C[C@H](CC1CCCCC1)/N=C(/O)C[C@@H]1CCCCC(O)=N1 328786299 KTDUJHSGQDIBAT-HIFRSBDPSA-N 294.439 4.591 30 10 CJEE CC(C)(C)C[C@H]1CS/C(=N/C2CCCCCCC2)N1 393455110 BISJCFBXJBJREX-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](CC)N[C@H]1CCCC[C@@H]1c1ccccc1 393788871 XKEVOFAOZPLVAR-KSZLIROESA-N 257.421 4.657 30 10 CJEE CSc1ccccc1C#Cc1ccc(Cl)s1 394796724 CJWCRVYIMXFIME-UHFFFAOYSA-N 264.802 4.523 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCOC1)NCCC 400991387 YMZKHEOLDLCWLL-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCC(C)(C)[C@@H]1NCCC 403834522 FUUYFOSRMYLMJJ-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE N#CCc1cc(F)ccc1-c1c(Cl)cccc1Cl 514263047 RNEFEUQOJTYRHA-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1csc(C)c1C 686687052 KTKYFENLGPCTMX-QGZVFWFLSA-N 277.477 4.989 30 10 CJEE N#Cc1cc(F)cc(Nc2ccc(SC(F)F)cc2)c1 690183335 ZGTHCESMIMLCOC-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCC1(CC)CCCN(c2cccc(SC)c2C#N)C1 690350722 KCWBVTFSLRTPJE-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE C[C@H](CNc1ccc(Cl)cc1C#N)C1CCCCC1 695702765 CBHNNZVHOBPJCV-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(C(C)(C)C)cc1 695817241 SBCNWBGDNGWAEU-ZDUSSCGKSA-N 258.409 4.724 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCCC2(CC2)C1 696002396 NEJRDCZZASZTCD-SJORKVTESA-N 280.500 4.929 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCC[C@@H]1c1ccccc1 701896327 QYLIUPMDPXUSOA-QZTJIDSGSA-N 271.448 4.905 30 10 CJEE CC[C@@](O)(c1ccc(Cl)c(Cl)c1)[C@]1(C#N)CC1(C)C 702106301 AOMXINYAQJCEQP-LSDHHAIUSA-N 298.213 4.531 30 10 CJEE C=CCCC(C)(C)CNc1cccc(C(F)(F)F)n1 704024978 ZAVLJNJPNCSTMZ-UHFFFAOYSA-N 272.314 4.505 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)Oc1ccccc1 704275671 FVJPLCDODZDYNY-WMZOPIPTSA-N 278.436 4.956 30 10 CJEE CSc1cccc(N[C@H](C)[C@]23CCCC[C@H]2C3)c1C#N 708879991 RGLWCHBFCKXMGN-IIYDPXPESA-N 286.444 4.661 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 709181298 DBHLVXCRMLDVTE-GDBMZVCRSA-N 270.420 4.518 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H](C)CC(C)(C)C 709230278 WXYHCYWUTKKBNL-HZPDHXFCSA-N 253.474 4.887 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21 714276205 NPPUMETWPFHEEG-BFQNTYOBSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)cc(Cl)c1 715011958 WMWVORMAMJWSII-YGRLFVJLSA-N 272.219 4.856 30 10 CJEE CCCCCCCCCCNCC1C2(CC2)C12CC2 716570331 CKYOHDJMPUTYOW-UHFFFAOYSA-N 263.469 4.907 30 10 CJEE C=C1CCC(CNc2ccc(C)cc2Br)CC1 724550569 SOSSDIJZVQXXQS-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE C=C1CCC(CNc2c(F)c(F)c(F)c(F)c2F)CC1 724567159 UZUUGLUMPMEWAR-UHFFFAOYSA-N 291.263 4.540 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](CCO)C1CCCCC1 725117841 KUJQIMNDNYMNOK-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=CCCC[C@@H](C(=O)N(CCC)CC1CC1)c1ccccc1 1124786421 SFMFODSMAAVZJF-LJQANCHMSA-N 299.458 4.775 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC(CC)(CC)C1)c1ccccc1 1126984587 CMWTVJPMNURNRP-GOSISDBHSA-N 299.458 4.775 30 10 CJEE N#Cc1cc(Sc2ccc(C3CCCCC3)cc2)ncn1 1162156974 ALYMZMIUGODHLE-UHFFFAOYSA-N 295.411 4.547 30 10 CJEE C=CCC[C@@H](CCC)NCc1c(F)cccc1SC 1181689097 VDLANKKOMISBFY-CYBMUJFWSA-N 281.440 4.772 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@@H]2CCCC[C@@H]2C)c(Cl)c1 1184098606 ZKWGHYIQMGNNQK-GZBFAFLISA-N 275.823 4.948 30 10 CJEE C#Cc1cccc(NC(=O)N(CCCC)C2CCCCC2)c1 1214232930 YSXNXIPZUJUZQS-UHFFFAOYSA-N 298.430 4.635 30 10 CJEE C=CC[C@H](CC)NC(=O)N(C)C1CCC(C(C)(C)C)CC1 1246320928 GHXNTVISEFWGIB-PCKAHOCUSA-N 294.483 4.587 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)cc3ccccc23)CCC1 1273156163 NYIAUXAFSQWQPR-UHFFFAOYSA-N 279.383 4.833 30 10 CJEE C=CCCC(=O)Nc1cccc(Oc2cccc(C)c2)c1 1288134806 CATWANXNZOFFCC-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=CC[C@@H](C)Sc1nnc(Nc2cccc(C)c2)s1 1307256746 HGENMPMRUUDLKU-LLVKDONJSA-N 291.445 4.647 30 10 CJEE C=CCC[C@@H](CC)Nc1cc(Cl)cnc1OC(C)C 1308762757 HGOPBCMEHKVKEO-CYBMUJFWSA-N 282.815 4.679 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 1310118572 ONGREJBRIFEQKM-UHFFFAOYSA-N 294.354 4.674 30 10 CJEE C=CCC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC1 1349870513 NIYNGKFHIOTKCT-UHFFFAOYSA-N 299.414 4.693 30 10 CJEE C=C(C)CN(CC)C(=O)c1cc2c(ccc3ccccc32)o1 1352045990 GAWQWHARROVKBP-UHFFFAOYSA-N 293.366 4.624 30 10 CJEE C#CCCCCCC(=O)N(C)c1ccc(CCCC)cc1 1435443049 POGGQCIAWIDOSD-UHFFFAOYSA-N 285.431 4.576 30 10 CJEE C=CCCCCCCNC(=O)NCC(C)(C)C1CCCC1 1478235906 OBWISSXXCKXGGN-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=CC[C@@H](CC)NC(=O)C1(c2cccc(C)c2)CCCCC1 1524473496 BWNZKEDHRSGKHM-GOSISDBHSA-N 299.458 4.668 30 10 CJEE C=CC[C@@H](C(=O)N(CCCC)CCCC)c1ccccc1 1526260849 GABNMPLAXHKGQU-GOSISDBHSA-N 287.447 4.775 30 10 CJEE C=C[C@@H](OC(=O)[C@H]1CC[C@H](CC)CC1)c1ccccc1 1528632466 SYIHEOQGRFGEGR-DJIMGWMZSA-N 272.388 4.673 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1F 1532800317 KTHKHCXBZHCGDV-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H]1C[C@]1(C)C(C)C)c1ccccc1 1533767151 XQZJVHUZPHTCCU-WSTZPKSXSA-N 299.458 4.882 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 1536780500 GHZZPAPUBYMBGK-INIZCTEOSA-N 297.801 4.649 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@H]1CCCC1(C)C 1560849843 YYHNICFFKKTLES-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)C[C@H](C)CC)c1 1563364042 MOBAVYPPAXASTF-ZIAGYGMSSA-N 274.408 4.666 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](C)CCC=C(C)C)c1ccccc1 1583141941 VGFSBEHLUPSFPU-WMZOPIPTSA-N 285.431 4.597 30 10 CJEE C=CCCC1(CNC(=O)C(CC)(CC)CC)CCCC1 1587240247 WHGKPMDVOGGROC-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C#CCCCCCCS[C@H](COC)c1ccccc1 1615020092 IOCJBONOINBEAB-QGZVFWFLSA-N 276.445 4.691 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)c1 1616752471 VNZXTGVACJDJAA-ROUUACIJSA-N 283.415 4.875 30 10 CJEE C=CCCCC[C@H](C)NCC1(SC)CCCCC1 1621526099 BMIKSWQILIPZCP-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE C=C[C@@H](C(=O)N1CCCC[C@@H]1CCC(C)C)c1ccccc1 1636191762 KZZVPTUUTPJGOZ-RTBURBONSA-N 299.458 4.774 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cccc(SC(F)(F)F)c1 1644567378 RULIPGPLZZPPPE-QWRGUYRKSA-N 289.366 4.914 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1ccc(F)c(F)c1 1654557335 UWYWLHCOUILKOU-GOSISDBHSA-N 293.401 4.718 30 10 CJEE C=CCCCCCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 1657341485 PZTWFFTWAVSEET-IEBWSBKVSA-N 286.463 4.834 30 10 CJEE C=CCCC(C)(C)CNCc1cc2cccc(OC)c2o1 1657788481 HREACUNRYMXPTQ-UHFFFAOYSA-N 287.403 4.523 30 10 CJEE C=CC(C)(C)CCCNC/C(C)=C\c1ccccc1 1657933472 BFPMMNPUCIEUAO-PEZBUJJGSA-N 257.421 4.672 30 10 CJEE C=C1CCC(CNCCCc2c(F)cccc2Cl)CC1 1658874809 CWRLUJSCGHNJJB-UHFFFAOYSA-N 295.829 4.748 30 10 CJEE C=CCCC[C@@H](NC[C@H](C)CCC#N)c1ccccc1 1660593021 OUCJEFXMAFZEBJ-SJLPKXTDSA-N 270.420 4.613 30 10 CJEE C=CCOc1ccc(CNC2(C)CCCCC2)cc1Cl 1661363561 ULBCYJDPIPVVTM-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C#CCC1(NC/C=C/c2cc(C)c(C)cc2C)CCCCC1 1663341370 KAMTZAAVMRDUPH-MDZDMXLPSA-N 295.470 4.941 30 10 CJEE C=CCC(C)(C)CNC1CCC(c2ccc(O)cc2)CC1 1664832918 LLKKMPDACYXVOC-UHFFFAOYSA-N 287.447 4.610 30 10 CJEE C=CCCC(C)(C)CNC(=O)NCC[C@H](C)CC(C)(C)C 1680152119 WIHSGHAOYHISHT-HNNXBMFYSA-N 296.499 4.740 30 10 CJEE C=C(C)Cn1c([C@@H](C)c2ccccc2)nc2ccccc21 1873515738 RLSINQGZRBQQGX-HNNXBMFYSA-N 276.383 4.764 30 10 CJEE CCCC[C@H](CC)N(C)[C@@H]1C[C@H](CC)CC[C@H]1C#N 1879300606 NHANOYXMDPOARW-LTIDMASMSA-N 264.457 4.605 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)C1(CC(C)C)CCCC1 1887475930 PWIMKVUXICOJTK-SJORKVTESA-N 263.469 4.621 30 10 CJEE C=C1CCC(CNCC[C@H]2CC3CCC2CC3)CC1 1894061915 ISRWGFZQMGGEIA-VJFUWPCTSA-N 261.453 4.539 30 10 CJEE CCC[C@@H](CS)CSC[C@H]1CC[C@H](C)CC1 1899443790 JNANAJVJGVLUQE-IHRRRGAJSA-N 260.512 4.892 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccccc2Cl)cc1C#N 1909667322 XAIFBKVVXAOQCF-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cccc(OC(F)(F)F)c1 1914676754 DOOAKNDDTIGNQV-AAEUAGOBSA-N 287.325 4.591 30 10 CJEE CCCCCCC[S@@](=N)(=O)CC1CCCCC1 1918046838 RPTNBINIIQSDQK-QGZVFWFLSA-N 259.459 4.584 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(F)cc(Cl)c1 1918499430 QZSOPOLKOHHWGA-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE N#C[C@@]1(C[C@H]2CCCC2(F)F)CCCC12CCC2 1921645229 RXXLZEUVQUXTQO-OCCSQVGLSA-N 253.336 4.676 30 10 CJEE N#Cc1cc(F)ccc1N(Cc1ccccc1)CC1CCC1 1932004414 XENUZWIENZPFBX-UHFFFAOYSA-N 294.373 4.504 30 10 CJEE C=C([C@@H](NC)c1cc(Cl)cc(Cl)c1)C(C)(C)C 1947451274 JNBUWZUXWTYHDU-CYBMUJFWSA-N 272.219 4.856 30 10 CJEE CC(C)(C)[C@@H]1CCc2sc(C3(C#N)CCC3)cc2C1 1951882650 DOBARINIXJQHNN-CYBMUJFWSA-N 273.445 4.844 30 10 CJEE CCCCCCCCCCC[C@](C)(OC)[C@H](C)N 1952329155 DPGIYGOPWZLPEQ-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE C[C@H]1CC[C@@H](COc2ccc(C#N)c3ccccc23)C1 1970521061 TZWRZWWNZYRTTL-UONOGXRCSA-N 265.356 4.526 30 10 CJEE N#Cc1ccc(NC[C@@H]2CCCCC23CCC3)c(Cl)c1 1973672304 JIPQHBKRZWTYMN-AWEZNQCLSA-N 288.822 4.984 30 10 CJEE C[C@@H]1CCC[C@H](C[C@]2(C#N)CCS[C@H](C)C2)C1 1997350535 DVDCDAIKNXCNDK-KBXIAJHMSA-N 251.439 4.628 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1cccc(Cl)c1 2000498963 FXQJUCNEYLSPHC-HNNXBMFYSA-N 252.785 4.668 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccc(F)c(Br)c1 2000512569 GUFHJLNTMPUVEB-AWEZNQCLSA-N 298.199 4.851 30 10 CJEE CCCCCCCCCCN1CC(SCC)C1 2019269482 OIAQAKHKOYYVJK-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE C=CCCCCCCC(=O)CC1CCSCC1 2026016130 AKPGFFFTPRISMM-UHFFFAOYSA-N 254.439 4.615 30 10 CJEE CCCCCCCC[C@]1(O)CCC[C@H]2CSC[C@@H]21 2027561592 WVKOEVGPBDAHSI-JYJNAYRXSA-N 270.482 4.631 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCc2ccsc21 2034307689 SMPFVEJUJBBSFU-AWEZNQCLSA-N 263.450 4.708 30 10 CJEE N#C[C@@H](C(=O)c1scc(Cl)c1Cl)c1ccccc1 2035096319 HVIVUXCEVXEMER-SECBINFHSA-N 296.178 4.545 30 10 CJEE C=C([C@H](NC)c1ccc(SCC)cc1)C(C)(C)C 2035423154 ALZTWBIXDAVGKC-HNNXBMFYSA-N 263.450 4.661 30 10 CJEE C=C[C@@](N)(CCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2037139058 VPDJCHBTJQBYIG-OAHLLOKOSA-N 286.246 4.856 30 10 CJEE C=C([C@@H](NCC)C1(C)CCCCCC1)[Si](C)(C)C 2045796115 FLBMPXRLWKJURQ-OAHLLOKOSA-N 267.533 4.759 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC12CCCC2)NC 2047009329 QHXORKXTBBAGLD-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE 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C=CCC[C@H](C)Oc1ccc(CNCCC)cc1Cl 2102101068 RXHZLHLIVCKOCC-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)c(F)c(C)c1 2102105830 PSXRRPYEECPBMZ-YVEFUNNKSA-N 263.400 4.695 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)C1CCC(C(C)(C)C)CC1 2102478200 YBKKPMZSAKCCSI-MYBQVCMBSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](C[C@H]1CO[C@@H](C)C1)NCCC 2103123673 RWCZYKFLTJQELC-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)o1 2107924851 WDVFZDQAUFJHLQ-AWEZNQCLSA-N 275.779 4.827 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCC1(C)C 2108234261 NLWQZQHHCKULMG-CVEARBPZSA-N 268.489 4.785 30 10 CJEE CCCCCCCCN[C@@H]1CCOCC[C@H]1CCC 2109059051 CDRUSAXIAQJOHE-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE N#CC1([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCCC1 2109746746 MUOBKVDRZKRXNN-MCIONIFRSA-N 267.363 4.922 30 10 CJEE C=CC1(C[C@H]2[C@@H](NCCC)C[C@@H](C)C[C@H]2C)CCC1 2111720842 SENLRFYCFFKNID-HZMVEIRTSA-N 263.469 4.783 30 10 CJEE CC(C)c1nc(CC2(C=O)CCC(C)(C)CC2)cs1 2113506413 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CC1(C)CC2(CC(C[C@@]3(C=O)CCC(F)(F)C3)C2)C1 2126796557 XMMUXDUHUBNYOE-AWEZNQCLSA-N 270.363 4.597 30 10 CJEE CC[C@@](C#N)(c1cccc(F)c1C(F)(F)F)C(C)C 2127929452 VSCABRBDCZZEPM-ZDUSSCGKSA-N 273.273 4.672 30 10 CJEE O=CC1(C[C@@H]2CCCCC2(F)F)CCC(F)(F)CC1 2128478095 BBFGVRWMQBGCQY-NSHDSACASA-N 280.305 4.597 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCCOC1(C)C 2130486271 WKQSQZHZQHUJJU-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCc1nc(Cl)c2c(n1)CCC2 2131426317 XABIPIKIHOOXHO-UHFFFAOYSA-N 280.843 4.912 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CC3(CCCC3)O2)C1 2133048442 DJLAMKSJPCCUCS-GDBMZVCRSA-N 261.409 4.588 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(F)c(Cl)c(F)c1 2136963902 KKRNROFNHWPCSR-QMTHXVAHSA-N 287.781 4.871 30 10 CJEE Cc1cc(C)c(C)c(C[C@]2(C#N)CCS[C@@H](C)C2)c1 2138348691 GCIUKXIMZQTLLK-YOEHRIQHSA-N 273.445 4.580 30 10 CJEE Cc1cccc(CC2(C#N)CCC(C)(C)CC2)c1C 2138361332 DLZPKVDHMRLPCN-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCCCCCC[C@@H]1C[C@@]1(CNCCC)C(F)(F)F 2138718842 JBHWOAHQGFTQMO-KGLIPLIRSA-N 279.390 4.915 30 10 CJEE CCCCC#CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1 2138956792 OMFRVFCNDSFBFP-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@@]1(CNC(C)(C)C)CCC12CCC2 2138989165 BQGZVJGOQMZBCH-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@@H]1C[C@H](CC)CC[C@H]1CNC 2138992897 FBYVUWMQHWQLED-KURKYZTESA-N 263.469 4.622 30 10 CJEE CCCCCC#CCC(=O)[C@]12CCCC[C@@H]1CCC2 2139052122 ONGPRQDHQWEAMR-AEFFLSMTSA-N 260.421 4.890 30 10 CJEE C=CCCCCCCOc1cc(F)ccc1C(C)=O 2141921954 DURFPAPREORKEV-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE C=CCCCCCCCCC(=O)C1CC(OCC)C1 2142439340 MGAVMARJSIWLAY-UHFFFAOYSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCCNCC[C@@H](C)COC 2142440600 SNRQRDPXNMPZSW-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@@H](OC)C1 2142450453 LLIUOQQPSQYDCN-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE CCC1CCC(C#N)(CC23CCC(C)(CC2)OC3)CC1 2144346680 BZKAECYNTVQCRU-UHFFFAOYSA-N 275.436 4.836 30 10 CJEE C=C(COCCC)[C@@H](NCCC)[C@H](CC(C)C)C(C)C 2144867397 TZZMMFFPJJGFBS-QZTJIDSGSA-N 283.500 4.656 30 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295.407 4.685 30 10 CJEE CC(C)(C)C[C@@H]1CNC(=NC[C@@H]2CCC(C)(C)C2)SC1 2156326177 KZAXFPOTFMNNOP-ZIAGYGMSSA-N 296.524 4.558 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@H]1CC12CCCCC2 2156701186 IIFHNEIXSPQRGH-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccnc(C(F)F)c2)CC1 2157109906 AXBJOIXYYKNPOK-INIZCTEOSA-N 278.346 4.771 30 10 CJEE C[C@H]1[C@H](C)CCC[C@]1(O)[C@@]1(C#N)CCCC(C)(C)CC1 2157119725 ZOJPNXGYOYLVKW-MXSMSXNCSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](O)[C@@H]1C=CCCC1 2157260799 QEKZFIUZVHMMJJ-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccccc1SC1CC1 2158413027 LGJBCXABIKHQGK-UHFFFAOYSA-N 284.359 4.695 30 10 CJEE C#CCC1(NCC2CC3(C2)CC(C)(C)C3)CCCCC1 2158854549 WJXDJTHWTVXKHA-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE CCCCCCCCNc1c([N+](=O)[O-])ccc(N)c1Cl 2159678240 AGRFCZIPHULKND-UHFFFAOYSA-N 299.802 4.603 30 10 CJEE CCCCCCCCCCNCc1cnc(C2CC2)o1 2160632819 PBCDEVHMWIEGRQ-UHFFFAOYSA-N 278.440 4.782 30 10 CJEE C#CCCCCC[C@@H](C[C@@H](C)c1ccccc1)NCC 2164181970 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4.739 30 10 CJEE C=CCN(CCC)Cc1cc(F)c(Cl)cc1Cl 2306208061 PEXYTSYYHIYJOB-UHFFFAOYSA-N 276.182 4.531 30 10 CJEE CC1CC(C#N)(CCCCC(F)(F)C(F)(F)F)C1 2319584921 ZRTIYVYKDQCMAP-UHFFFAOYSA-N 269.257 4.684 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)cc1CC 2321102890 UXBIANGGYGDVCK-JKSUJKDBSA-N 265.828 4.895 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C)(C)C1)NCCC 2321104649 HUKPZSWIVPRSFW-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H](CC)CC(F)(F)F)NCC 2321106832 AWAHQQAUGLBSNW-RWMBFGLXSA-N 265.363 4.545 30 10 CJEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(O)cc2)c1C 2325795812 DGTGNWPHEQHTFD-UHFFFAOYSA-N 280.367 4.522 30 10 CJEE CCCCCCCC[C@@](C)(SCC(C)C)C(=O)O 2327002856 QTGSHEXNHHMQJH-OAHLLOKOSA-N 274.470 4.970 30 10 CJEE CCCCCCC[C@@H](C[C@@](C)(F)C(C)(C)F)NC 2327939651 HCXSEHQVRBKFLL-DZGCQCFKSA-N 263.416 4.801 30 10 CJEE CC=Cc1ccccc1OC[C@H](CS)CC(C)C 2328519749 WMJLYKHLFWJTFJ-CQSZACIVSA-N 264.434 4.691 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2329749325 NPWXAONGDMWPEU-QKGCVVFFSA-N 267.363 4.778 30 10 CJEE C=CCCCCCCCCCNC[C@H]1CC[C@@H]2C[C@H]12 2333365766 VCLOYJVNBLIISW-KURKYZTESA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1[C@H](C)NC 2335246350 VKNRNHJRMUXMEF-LBPRGKRZSA-N 279.424 4.719 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1cc(F)ccc1C(F)F 2337944741 VLPMSQRLDMOWQM-LLVKDONJSA-N 271.326 4.550 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CCC)CC[C@@H]1CNC 2338663946 BFCHMTRZBDQCJM-NXHRZFHOSA-N 263.469 4.807 30 10 CJEE CCCCCCCCC[C@@H](C#C[C@@H]1CC1(C)C)NC 2339570072 UEZPWLQDVMAGGD-SJORKVTESA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@](C)(C=O)c1ccccc1 2343372977 ZUPKJJNLFBGFGP-YXJHDRRASA-N 258.405 4.606 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](CC)CC(F)(F)F)NCC 2344358150 TXGYSLXOKPHWIP-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=CC[C@H](C)[C@H](N)CCC12CC3CC(CC(C3)C1)C2 2344384328 LISWBNMYBWMTEM-QCAJKXFRSA-N 261.453 4.523 30 10 CJEE C=CC[C@@H](C)[C@H](O)CCC12CC3CC(CC(C3)C1)C2 2344477171 REWKUFAMAQLBJH-IXRCJPEJSA-N 262.437 4.556 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(C)ccc1C(F)(F)F 2344477776 XETSRETXGKMMIB-CYBMUJFWSA-N 272.310 4.650 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN(Cc1cccs1)C1CC1 2352067488 FPNUOCUJVBHHAX-MRXNPFEDSA-N 297.533 4.695 30 10 CJEE CC(C)(C)N(CC(F)(F)F)C[C@](C)(CS)C(C)(C)C 2352168653 LLZVXLREBHCRCE-CYBMUJFWSA-N 299.446 4.631 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1COC 2357002389 QZNLJDXGGKLLKN-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1C[C@H]2CC[C@@H]1O2 2358321849 GEUDBEXMTKKMDE-OWSLCNJRSA-N 280.452 4.612 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H]2CO[C@H]1C2 2359546248 WSQSHMOYXADSAL-KSZLIROESA-N 281.484 4.674 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@@H](NC)c1ccc(F)cc1 2360336672 LZDAHURWNPUSEA-CXAGYDPISA-N 293.451 4.729 30 10 CJEE CC(C)c1ccc([C@@H](C#N)NCCC2=CCCCC2)cc1 20174407 FHPSRQIZARGUJV-LJQANCHMSA-N 282.431 4.855 30 10 CJEE CCC[C@H](C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 36931064 DMDZWANGFNJRQO-JOYOIKCWSA-N 284.186 4.606 30 10 CJEE CCCC[C@@H](CC)COCCCOc1ccc(C#N)cc1 37138748 IWYDAVPCRHCGEV-MRXNPFEDSA-N 289.419 4.560 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cccc3ccccc23)c1 37936765 UOGWNHCFCGYQGS-IBGZPJMESA-N 272.351 4.825 30 10 CJEE CCCCCCCNc1ccc(OC)c(Cl)c1 59088652 SQXJOAKDTMJMCF-UHFFFAOYSA-N 255.789 4.731 30 10 CJEE CCCCCCCOc1cc2nc(C)sc2cc1N 59266807 RRUPUKLUXQGLPP-UHFFFAOYSA-N 278.421 4.536 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(CC#N)cc1 59460162 GIPJRFVXNAKQSU-HNNXBMFYSA-N 258.409 4.914 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)c(Cl)c1)c1ccccc1 80748439 QMQMSIFVGNEJPZ-LBPRGKRZSA-N 291.181 4.713 30 10 CJEE CC(C)n1nc(-c2ccccc2F)c2c1CCC[C@H]2CC#N 82825890 ATCMWXAABLMOPJ-ZDUSSCGKSA-N 297.377 4.604 30 10 CJEE CC(C)(C)C1CC(C#N)(c2c(F)cccc2Cl)C1 86559187 YMMUNIZHQVXBKQ-UHFFFAOYSA-N 265.759 4.697 30 10 CJEE Cc1ccc(SC[C@@H](CS)C(C)C)c(C)c1 87096220 BYWVNIDRLNNIIF-CYBMUJFWSA-N 254.464 4.598 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1c(C)cc(C#N)cc1C 88154572 ZAHGWKFFHRNCGS-CVEARBPZSA-N 257.377 4.523 30 10 CJEE Cc1ccccc1N(C)CC1(CS)CCCCCC1 94580694 QXKYAGAVCCQIOQ-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE Cc1cc(OCC2(CS)CCCCC2)ccc1Cl 94582251 RQZLZBVVWGJCDT-UHFFFAOYSA-N 284.852 4.908 30 10 CJEE CC[C@H](CS)COc1ccc(C(C)(C)C)cc1C 94584356 ROBALABPMDAIEE-ZDUSSCGKSA-N 266.450 4.627 30 10 CJEE C=C(C)C[C@@H](Cc1cccc2ccccc12)NCCC 97283167 PVAVIKZQIIIBRD-SFHVURJKSA-N 267.416 4.717 30 10 CJEE CC#C[C@@H](C)Cc1c(OCCC)cc(C)c(Cl)c1C 107624967 ZWESUGBYWDYEJX-GFCCVEGCSA-N 278.823 4.948 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 109905229 WOLJNVZQZABOKI-CABCVRRESA-N 292.423 4.994 30 10 CJEE CCCCCCC[C@H](CN)N1CCC(CC)(CC)CC1 110027449 LEUQMMSHJGQHHF-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCCOc1cccc2c1CC[C@H]2NC 110100934 NJGMNZLHRCTROW-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCCN(C)C(CC)(CC)CN 110107863 HVIQKMIRFKHAKZ-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCCCCCO[C@@H]1CC(C)(C)CC[C@@H]1NCC 112847220 GKJTVUHXJZFPBT-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cccs1 112897172 FYTWUCSQYWOTFT-CQSZACIVSA-N 253.455 4.759 30 10 CJEE CCCCCCCCCCCCN(C)CCNC1CC1 113078694 MMIWCFSYBMLLGS-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@H]1CC(C)C 114061748 QHGYBPFPTBRBFT-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCCN1CC2(CCCCC2)NC[C@H]1C(C)C 115244842 ZRRIOJMFDNJISF-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@H](CN)N(CC(C)C)C(CC)CC 123578693 WYSVSVFIWLYUAA-GOSISDBHSA-N 284.532 4.821 30 10 CJEE CCCCCCCCCCNc1nccnc1Cl 124887955 TZOZPUVQZSDGLZ-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1COc2ccccc21 125017904 LVHNMHTXNUCRFP-ZWKOTPCHSA-N 289.463 4.891 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2c(s1)CCCC2 125737814 YVTQLGPHDSPTSC-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCCC[C@@H](Cc1cc(F)ccc1F)NC 126397348 DPEASMFJDSXAMC-INIZCTEOSA-N 283.406 4.846 30 10 CJEE COc1cccc(NC2(C#N)CCC3(CCCC3)CC2)c1 129610720 CLDYOGCGLLUJHB-UHFFFAOYSA-N 284.403 4.504 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(C(F)F)cc2)CC1 131717206 JREHLYQQHYFYMV-AWEZNQCLSA-N 293.357 4.768 30 10 CJEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134662577 UAUSUEMRSFRKRD-WDEREUQCSA-N 290.819 4.685 30 10 CJEE CCCCCCCCC[C@H](O)CCc1ccco1 135351304 DWWBHRMRQAAQSP-HNNXBMFYSA-N 252.398 4.714 30 10 CJEE CCCCCCCCCCCCO[C@H]1CCC[C@@H]1N 136306898 ACQYRFLJIOISCQ-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@H](N)c1csc(C)n1 143449049 HGVNYSHFPQIVHC-AWEZNQCLSA-N 268.470 4.982 30 10 CJEE Cc1cc(Oc2ccc(C(C)C)c(C)c2)c(C#N)c(C)n1 156599276 VIZLXZKVWCYDHM-UHFFFAOYSA-N 280.371 4.794 30 10 CJEE CCCCCCCCNC[C@H]1CCOc2ccccc21 161896966 TYQSLAYEMUBIPI-MRXNPFEDSA-N 275.436 4.503 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC1CC1 164941732 QMOWLNGFRAEUNI-GVDBMIGSSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC[S@@](=O)c1cc(N)cc(F)c1 165768513 GIEHXFRLVQMSSV-FQEVSTJZSA-N 299.455 4.656 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)[C@@H]1CCOC1 166152392 NIRAQOBASIGJIN-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCCS1 166537301 JKKLKZMLBQKUNT-HNNXBMFYSA-N 272.454 4.868 30 10 CJEE Cc1cc(C#N)ccc1Oc1c(C)ccc(C)c1C 203447814 LKPCFCHTUNJWEJ-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCCCCCCCCCCC#CCCC(=O)OC 206964514 NLVUNDNCKIBPRN-UHFFFAOYSA-N 266.425 4.864 30 10 CJEE Cc1cccc(C#N)c1Nc1cc(Cl)cc(Cl)c1 220987770 UIBRPEVQUOQWRD-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CCC)CC[C@H]1CNC1CC1 227526953 PISYZPPNEUVADH-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@H](N)C1(OC)CCCC1 228205540 WIECKKNUZZVCGJ-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(CC)cn1)NCCC 228714741 ZDTWEUJIJFLLIW-SFHVURJKSA-N 290.495 4.915 30 10 CJEE CC(C)(CCC#N)CN[C@H](c1ccccc1)C(C)(C)C 229679523 XFWDNMBZCDMJAW-MRXNPFEDSA-N 272.436 4.693 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 232721496 VBAGPFYFWHFIII-JKSUJKDBSA-N 264.457 4.511 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2F)CCCCC1 232828232 ORLRDUCGPACQRU-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE CCCCCCCCCCCC[C@@](CC)(CN)CO 232950593 WOAPWGCCSHRCBT-KRWDZBQOSA-N 271.489 4.645 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(F)c1F 235558050 XTCRAOBZIMQBHI-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccccc2C)cc1C 235778890 VSAQDECHZFUBDZ-SFHVURJKSA-N 264.372 4.597 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc(Cl)ccc1Cl 236210356 SKDUQUHKKVDXSH-CQSZACIVSA-N 287.234 4.634 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@H]1CCCC1=O 250799720 CEMJZUVFIPKVQF-SJORKVTESA-N 279.468 4.571 30 10 CJEE Cc1cc([C@@H](C)C#N)cc(Cl)c1OCc1ccccc1 260438153 UKCFPGARUCWBGK-ZDUSSCGKSA-N 285.774 4.855 30 10 CJEE CCCCCCCOc1cc(C(=O)CC)ccc1[N+](=O)[O-] 261076162 YHOFWFLKAKYREO-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 300009519 YJGFSEWZIYGQMC-ZACQAIPSSA-N 275.436 4.978 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCCC(F)(F)C1 302436200 VNQACPKERSOTOM-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C)cc(C#N)c2)s1 308100575 GCEFDJQHQZXCGN-LBPRGKRZSA-N 270.401 4.664 30 10 CJEE CCCC1CCC(C#N)([C@H]2CCC[C@@H](OC)C2)CC1 311375918 LECWSMWZXXFVPU-VUROTCPHSA-N 263.425 4.692 30 10 CJEE C[C@@]1(c2cccc3ccccc23)CC[C@](C)(CC#N)O1 312465943 WOCIKRKCZZTOHH-MSOLQXFVSA-N 265.356 4.538 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccccc2C(F)(F)F)C1 316757851 IRGJLLSRAQHUHK-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE C#CCCCC1(CNC(C)(C)C)CCC(CC)CC1 318682886 NADUYMFHENINSU-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cccc(C(F)(F)F)c1 384855259 LSGWZSTZFVWMPR-FZMZJTMJSA-N 267.294 4.578 30 10 CJEE CSc1ccccc1NC[C@@H](C#N)C1CCCCC1 397161542 VUXNUALFRHWITH-CQSZACIVSA-N 274.433 4.540 30 10 CJEE CCCCCCCC(=O)[C@H](CC)C(=O)[C@H]1CC1(C)C 397692687 NMENHOHREFMQPV-UONOGXRCSA-N 266.425 4.557 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cccc(C)c21 398322122 ZRFRMMMNSNDWIQ-GFCCVEGCSA-N 260.406 4.551 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@H]1O 402285839 LSGGJSKGWSVJDS-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C[C@H](/N=C1/NC2(CCCCC2)CCS1)c1cccs1 687325660 JJAMEVJVJWCOHA-LBPRGKRZSA-N 294.489 4.595 30 10 CJEE CC(C)CCC[C@@H](C)/N=C1/NC2(CCCCC2)CCS1 687325936 YXGNAFHCLBEKRV-OAHLLOKOSA-N 296.524 4.987 30 10 CJEE CC(C)C1CCC(C#N)([C@](C)(O)CC2CCCC2)CC1 689834203 XJHXEMAUODGEHK-LXPRWKDFSA-N 277.452 4.674 30 10 CJEE Cc1ccc(Nc2cc(C)c(Cl)c(C)c2)c(C#N)c1 690234012 DRFYUKZMTUKGFE-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE CCSc1cccc(N[C@@H](C)C(C)(C)CC)c1C#N 695105034 DCRCFVQQNKYIFN-LBPRGKRZSA-N 276.449 4.907 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)ccc1Cl 695861428 ABEBAVYRVBXMQH-VIFPVBQESA-N 271.191 4.734 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1cccc(Br)c1 695891523 KKLUPLMMPVICCX-JTQLQIEISA-N 298.249 4.870 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@@H](N)C1CC1 696035916 UQGIGOFHXXTUGA-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCN[C@@H](C)c1nc2ccccc2s1 705966788 YXXINZSZORICKB-ZDUSSCGKSA-N 276.449 4.917 30 10 CJEE CCN(CC1(CS)CCCCCC1)[C@H](C)C(C)C 706486742 PNJJSGNZKYYCOA-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 710640142 FMQIJXGSYRYWTG-CABCVRRESA-N 271.876 4.817 30 10 CJEE C=C(CC)C[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C 710768289 QZTCWVFTNQUIKS-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1cc(C#N)ccc1Cl 713044215 NXWJPPYFUREARF-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 715720121 LJLRCICCFOOGKQ-OXJNMPFZSA-N 295.426 4.738 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716457561 ABTBNXOXIAQJDV-UTSKFRMZSA-N 251.458 4.617 30 10 CJEE CCCCCCCCC[C@H](O)Cc1scnc1Cl 721974803 HBNGOARRJOBRMP-LBPRGKRZSA-N 289.872 4.841 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC[C@@H]3CCCC[C@H]3C2)cc1 723606914 HCYOUHAWDXATLP-XYJFISCASA-N 268.404 4.660 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc3c(s2)CCSC3)CC1 724560383 VVLQFBGYYQMRGB-CQSZACIVSA-N 294.485 4.707 30 10 CJEE C=C1CCC(C[C@@H](O)C2CCC(C(F)(F)F)CC2)CC1 724565562 GHFIBOSLULUQRA-YMAMQOFZSA-N 290.369 4.853 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2CCSCC2)CC1 724582482 MEFYFOFYUXQXHJ-KRWDZBQOSA-N 281.509 4.634 30 10 CJEE C=CC[C@H](OC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 800408324 PZJNGJZFWPWVCY-CABCVRRESA-N 294.341 4.673 30 10 CJEE CC/C(=N\OCc1ccc(F)cc1)c1ccc(Cl)cc1 821220029 WDJSVEBJTVNTFH-KNTRCKAVSA-N 291.753 4.810 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CCC(C(C)C)CC1 821986830 DAWJGIJDIXPCTP-FPQWYMTMSA-N 263.469 4.926 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@H]1CCCC[C@H]1C 1128409459 INHDFSBGURTMOT-NVXWUHKLSA-N 285.431 4.960 30 10 CJEE C=C1CCC(CNC[C@H](C)CC2CCCCC2)CC1 1179542348 YUVWUTWKFBBXJS-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE C=CCN(Cc1cccs1)C[C@H]1CCCC[C@@H]1C 1180505141 HLHVZGHHQHDZTL-LSDHHAIUSA-N 263.450 4.562 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 1201408794 XJKHDDDUZYWJBU-JTQLQIEISA-N 296.197 4.918 30 10 CJEE C=CCC1(CN[C@H](C)[C@@H]2CC3CCC2CC3)CCCC1 1205788753 GCGOIJCXNJDQGF-CPFNUKBASA-N 275.480 4.927 30 10 CJEE C=CCC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC1 1279399223 DKKRUIFDINDMSD-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3cnccc3c2)c1 1289566722 CWBDSLPYSAPZMR-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE Cc1ccccc1CS[C@@H](C#N)CCc1ccccc1 1307245965 DHZNPCQWEOIAQT-GOSISDBHSA-N 281.424 4.753 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(Oc2ccccc2)cc1 1350650663 FJNJMBOOGCFFEC-UHFFFAOYSA-N 282.339 4.741 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1 1351277786 PFBHNWWUPQQYHK-WDSOQIARSA-N 299.458 4.821 30 10 CJEE C=C(CC)CN(C)c1ccc(-c2ccccc2)cc1 1459573160 CPXZOXJQKCFLKF-UHFFFAOYSA-N 251.373 4.756 30 10 CJEE C=CCCCN(CC)Cc1ccc2ccc(Cl)cc2n1 1460901353 PFGMYFBTKMGDTR-UHFFFAOYSA-N 288.822 4.676 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)cc1F 1462503714 MKYNCYDYUSACSB-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE C=CCC[C@@H](C(=O)NCCC[C@H]1C=CCC1)c1ccccc1 1462566323 LPJFYVCMPWNMQD-PKOBYXMFSA-N 297.442 4.599 30 10 CJEE C=CCC(C)(C)CNCc1ccc(C2CCC2)cc1 1474159057 FHASICMIIXTHQK-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C#CCCCCCCNc1cccc(F)c1SC 1474623809 CAWKPKVJCCHZTK-UHFFFAOYSA-N 265.397 4.543 30 10 CJEE C=CCCC[C@@H](C(=O)NCC(C)(C)CC)c1ccccc1 1521927206 ZMQJBZDVFUGFSZ-QGZVFWFLSA-N 287.447 4.679 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C 1524348748 ULDCSIVKECKDBT-ZBFHGGJFSA-N 271.404 4.570 30 10 CJEE C=C1CCC(CNC(=O)CCCCc2ccc(C)cc2)CC1 1534406418 QBUBXBKOXIKZCW-UHFFFAOYSA-N 299.458 4.570 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)c(Cl)c1 1538727718 NKMUEIMAHJYEEQ-AWEZNQCLSA-N 291.822 4.644 30 10 CJEE C=CC(C)(C)CC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 1539163037 GAEPJYZZVZWWMI-ROUUACIJSA-N 299.458 4.692 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 1544263470 QHGNAWZTPSTRIW-AWEZNQCLSA-N 293.838 4.696 30 10 CJEE C#CCCCCCCN[C@@H](c1ccc(F)cc1F)C1CC1 1559686274 XLNGODJAOHXBMQ-GOSISDBHSA-N 291.385 4.589 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@@H](C)c2ccccc21 1584548301 AMLFBRQOAZBDNZ-OAHLLOKOSA-N 283.415 4.685 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC(C)C)c1ccc(C)cc1 1597967259 UIUXXURQQJOOAF-INIZCTEOSA-N 273.420 4.586 30 10 CJEE C=CCCC[C@H](C(=O)OCc1cc(C)co1)c1ccccc1 1616267369 IOBBIORFADTZHO-SFHVURJKSA-N 298.382 4.771 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc([C@@H](C)CC)cc1 1618326111 XAZWAHBZPIONPY-YJBOKZPZSA-N 285.431 4.771 30 10 CJEE C=CCCC(C)(C)CNCc1nc(C(C)C)n2ccccc12 1621028921 WUBRLRDQNNHRGH-UHFFFAOYSA-N 299.462 4.540 30 10 CJEE C=CCCCCN1CC[C@@H](c2cccc(F)c2)C1(C)C 1654469359 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C=CCC[C@H](C)Nc1ccc(C)c(C)c1Br 1900087299 VUELKWGGTXAMST-NSHDSACASA-N 282.225 4.833 30 10 CJEE CCCCCCCn1cc(C(C)C)nc1Br 1903345083 HTPMMGLSQPEQPL-UHFFFAOYSA-N 287.245 4.739 30 10 CJEE C=CCC(CC=C)SC[C@H](CS)CC(C)C 1905528082 VRIAETMWAMEBTH-ZDUSSCGKSA-N 258.496 4.833 30 10 CJEE CCCCCCC[C@@H](C)NCC(F)(F)C1(OC)CCC1 1912517902 UPABPNIKIIJRKI-CQSZACIVSA-N 291.426 4.529 30 10 CJEE C=CCC(C)(C)Nc1ncc(C(F)(F)F)cc1Cl 1913960343 PLSVREZKKAUHBZ-UHFFFAOYSA-N 278.705 4.520 30 10 CJEE C=CCCCC(=O)C1(O)CCCCCCCCCCC1 1919045617 SYSZIBBFJDKZON-UHFFFAOYSA-N 280.452 4.948 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(F)c(F)c1F 1919527472 WAQZSLZMVQTXMS-HNNXBMFYSA-N 273.342 4.638 30 10 CJEE C=CCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 1919561280 ZXJRCWIWDXMWFR-ZDUSSCGKSA-N 277.166 4.696 30 10 CJEE CCCCCCC[C@](C)(O)C[C@H]1CCCC1(F)F 1919880130 YRQNCNYXYFSXBU-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE O=C[C@@]1(Cc2c(F)cccc2Cl)CCCC12CCC2 1921596472 XKKVYIFIKLDWNB-INIZCTEOSA-N 280.770 4.561 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)cc1C)[Si](C)(C)C 1922861443 XUGYARREUOWMMB-QGZVFWFLSA-N 275.512 4.778 30 10 CJEE CCCCCCC[C@@]1(F)[C@@H](CN)CCCC12CCC2 1924821161 GUHMPGHNCOWFCI-NVXWUHKLSA-N 269.448 4.984 30 10 CJEE C#C[C@@H](C)[C@H](CCCCCCCCCCC)NC 1925429518 RTRHGURCUHIRFG-SJORKVTESA-N 251.458 4.765 30 10 CJEE CSc1ccc(Cl)cc1C(=O)C=Cc1ccco1 1951310327 LKNSNHBQKGDIGC-UHFFFAOYSA-N 278.760 4.551 30 10 CJEE CCCC[C@](C=O)(CC)CCCOCc1ccccc1 1954794778 JPRCPNMZZHWBMB-GOSISDBHSA-N 276.420 4.769 30 10 CJEE C=C(Br)CCSCc1ccccc1C 1955991895 SDEILTKCBGVMSF-UHFFFAOYSA-N 271.223 4.527 30 10 CJEE CC[C@@H](N[C@@H](C)CC(C)(C)C#N)C1CCC(F)(F)CC1 1967579054 JGGGNQZMGFEPPI-GXTWGEPZSA-N 286.410 4.508 30 10 CJEE CC(C)(C)CN(CCC#N)Cc1csc2ccccc12 1969281283 ICUPSYCJFHFJOE-UHFFFAOYSA-N 286.444 4.663 30 10 CJEE N#Cc1ccc(F)cc1CSC[C@@H]1CCCCC1(F)F 1973013067 YHZOJMOEARZQMG-ZDUSSCGKSA-N 299.361 4.756 30 10 CJEE C=CCCCCCc1cc(Br)ccc1F 1975340660 HWPUJURYMPLTJQ-UHFFFAOYSA-N 271.173 4.877 30 10 CJEE CCCCCCCN(C)Cc1sccc1Cl 1991243154 CMSKJHQWQASGKR-UHFFFAOYSA-N 259.846 4.804 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccsc1Cl 1995203806 HWDOBPURNSZZNJ-GFCCVEGCSA-N 258.814 4.962 30 10 CJEE C=C1C[C@H]1C[C@](N)(CC)c1ccc(Cl)c(Cl)c1 1996749471 ASKILWCRPVSLQS-IINYFYTJSA-N 270.203 4.524 30 10 CJEE CCC1CCC(C#N)(Cc2cscc2F)CC1 2010901388 DFFCUNIIQVZBBT-UHFFFAOYSA-N 251.370 4.540 30 10 CJEE CC[C@@](C#N)(Cc1ccc(C)c(Br)c1)C(C)C 2012417919 XWNXEWYOTNZHQA-HNNXBMFYSA-N 294.236 4.876 30 10 CJEE C=C([C@H](NCCC)C1C(C)(C)C1(C)C)C(C)(C)C 2035420408 RMWMQANQXVFPPF-ZDUSSCGKSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@@H]1C(F)(F)F 2039187326 OIIKOGOGGLNDDS-AVGNSLFASA-N 265.363 4.523 30 10 CJEE CCCCCCCCC[C@@H](NN)C(C)(C)CCC 2040724847 ZVIVIDGEYKQHHF-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE CCCCCCC[C@](C)(O)[C@H]1CCCC(F)(F)C1 2045364030 LPYQGJSIWOZBKM-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C=C(C)C[C@@H](NC)[C@H]1CC[C@H](CCCCC)CC1 2049636100 FOYZKOPZQDIIEV-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CC1(C[C@H](NC)c2cc(C(F)F)cs2)CCC1 2057301237 QZPHUVCSHRCUOW-NSHDSACASA-N 271.376 4.693 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(Cl)c(F)cc1F 2058865417 MQVCURSTTCVKBG-CQSZACIVSA-N 273.754 4.625 30 10 CJEE C=CCCCC[C@H](NC)[C@@H]1CCCc2sccc21 2059113656 BTTIUXNFIPUZHT-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H]1C1CC1 2071803604 AYZQIJWGJLECFS-DLBZAZTESA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CCC)COC 2073164064 QZBRZGLYLXIVQD-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(Cl)sc1C 2075372073 CZKMWTSGHAQBJC-CQSZACIVSA-N 283.868 4.944 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCC[C@@H]2CC2(F)F)C1 2075464318 JZADPRXVLJACQP-OCCSQVGLSA-N 258.352 4.597 30 10 CJEE C=C1CCC(C[C@](C)(O)c2ccccc2Cl)CC1 2075724737 NFSVSQAFOHHVSY-INIZCTEOSA-N 264.796 4.684 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CCCC[C@@H]1F 2076538819 NZNBGCUCODGDMS-UONOGXRCSA-N 276.461 4.800 30 10 CJEE CCCCCC#CC[C@@H](O)C1(C(C)(C)C)CCC1 2083402012 WAFPPXIHCIFKLP-OAHLLOKOSA-N 250.426 4.538 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)s1)C1CCCCC1 2083422118 PWZHKSUQSYMPMK-YPMHNXCESA-N 281.852 4.634 30 10 CJEE CCCCCC#CCCC[C@@H](NCCC)C(C)C 2083427013 JKKLGAIYQSRIEC-QGZVFWFLSA-N 251.458 4.765 30 10 CJEE C=CCCCCCCCCNCCSCC(C)C 2086280860 LYNOPCCNLSKYDY-UHFFFAOYSA-N 271.514 4.882 30 10 CJEE CCCc1ccccc1C[C@]1(C#N)CC[C@H](CC)C1 2088242729 KDTRYZICULYXNY-YJBOKZPZSA-N 255.405 4.902 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cccc(O)c1 2098410823 NTRDLJMLNLIRQA-QGZVFWFLSA-N 263.425 4.923 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCC2(CC2)C1 2099936774 HLSDELKDTTUOQI-HOTGVXAUSA-N 266.473 4.539 30 10 CJEE C=C1CCC(C[C@]2(C(=O)O)CC23CCCCC3)CC1 2100470752 NFLRPTUFSVBBFX-QGZVFWFLSA-N 262.393 4.548 30 10 CJEE CC1=CCC[C@H](C)[C@H]1CNc1ccc(C#N)c(Cl)c1 2100944026 LIYHEHVBGSXLIZ-WFASDCNBSA-N 274.795 4.616 30 10 CJEE CC1([C@](C)(O)C2(C#N)CCCCCC2)CCCCC1 2101362577 ADZLOLUJXXUIBY-INIZCTEOSA-N 263.425 4.572 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@]12CCCC[C@@H]1CCC2 2102476569 FVSLTJDHLGMIQI-BDXSIMOUSA-N 261.453 4.681 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CC12CCC(F)(F)CC2 2107081628 PUAASWJRJOVRAZ-OLZOCXBDSA-N 291.813 4.713 30 10 CJEE CCCC[C@](C)(C#N)C[C@@H]1CCCc2cccnc21 2108212513 BWTXDRDSTWTHGZ-RDJZCZTQSA-N 256.393 4.612 30 10 CJEE CCSc1ccccc1NCC1(C#N)CCCCC1 2109998172 RIGNFBTYJKPVTQ-UHFFFAOYSA-N 274.433 4.685 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C[C@@]1(C=O)CCC12CCC2 2110456149 VRGIXVIGUANHPO-OIPACUDHSA-N 260.421 4.598 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21 2110953519 OPXHOPUBJAQNIG-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE C=CC1(CC(=O)C2CC3(C2)CC2(CCC2)C3)CCC1 2111706127 QTMJHKDTGOYAJT-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE C=CC1(C[C@@H]2CC(C)(C)CC[C@H]2CNCC)CCC1 2111719926 FYVLADRJALBYAJ-HOTGVXAUSA-N 263.469 4.785 30 10 CJEE C=CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2NCC)CCC1 2111721839 WETXQIMMZWWLIB-NXOAAHMSSA-N 261.453 4.537 30 10 CJEE C=C(C[C@@H](NCCC)c1ccc(C)cc1)C(F)(F)F 2113326237 VWDQTBLWNSWOCG-CQSZACIVSA-N 271.326 4.544 30 10 CJEE CCC[C@@]1(C)CSC(=NC2CCC(C)(CC)CC2)N1 2114980146 SHBOLRGVDVYUNJ-BCLQGDPASA-N 282.497 4.597 30 10 CJEE CCCc1ncc(CC2(C=O)CCCCCCC2)s1 2116348477 BMHXVKMZBKJRQU-UHFFFAOYSA-N 279.449 4.568 30 10 CJEE C=CCCC[C@H](Cc1ccc(C(C)C)cc1)NCC 2116481749 DTSLIIRGXNRYSV-GOSISDBHSA-N 259.437 4.687 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@](C)(O)c1ccc(Cl)s1 2117018954 FLPADUHUIQYOOX-LSDHHAIUSA-N 297.851 4.719 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CCCOC1CCCC1 2117032321 FSPSOJKDAFETQG-QGZVFWFLSA-N 266.425 4.511 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CC[C@H](OCC)C1 2118217212 JPEJQKLNLIPMAG-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE O=C[C@@]1(CC2CC(C3CCC3)C2)CCCC12CCC2 2120314593 FAARBAFGPALSDE-PVARCSIZSA-N 260.421 4.742 30 10 CJEE C=CC1(NCc2c(F)ccc(F)c2Cl)CCCCC1 2121646356 LLKLQKNJXATJFQ-UHFFFAOYSA-N 285.765 4.597 30 10 CJEE C[C@@H](CC(=O)C1=CC[C@@H](C(C)(C)C)CC1)C(F)(F)F 2125183432 DMNSXYIKERCVLS-CMPLNLGQSA-N 276.342 4.917 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2[C@H]3CCCC[C@H]32)CC1 2125193631 NAPYUKZQZUNUOE-JONQDZQNSA-N 260.421 4.764 30 10 CJEE C=CCCCCC[C@H](NCC)C1CC2(C1)CC2(C)C 2127500083 VKYXEILSWVRUAQ-PQUAAJSLSA-N 263.469 4.927 30 10 CJEE 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C=CCCCCCCCCC[C@H]1CCOCCC1=O 2142427495 JIZAAMUJQMCLMV-INIZCTEOSA-N 266.425 4.679 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1cc2ccccc2s1 2143835629 GIAGOOYDMPOENP-AEGPPILISA-N 284.428 4.634 30 10 CJEE CCCCCCCCO[C@@]1(C(=O)O)CCCC(C)(C)C1 2144979070 QPMKOTFMOZVUAD-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CC1CC1)NCCC 2147411638 ARGMKZDGSXNXHI-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](N)C1CCCCC1 2149283389 AAYMFMAMCKFFDS-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE C(#CC1CCCCC1)CN[C@H](C1CCCCC1)C1CC1 2149851905 XKVOFTWPDOUZHR-LJQANCHMSA-N 273.464 4.519 30 10 CJEE CC[C@@H]1CCC[C@@H](N=C2N[C@]3(CCCC3(C)C)CS2)C1 2150545106 JYKVNEJWFJBGJM-CKEIUWERSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@@H]1C=CCCC1 2153110993 JSECAFPPUWARHO-IAGOWNOFSA-N 280.452 4.804 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1 2154172838 WULHDZJDBBNJEC-JZXOWHBKSA-N 268.404 4.638 30 10 CJEE C[C@@](N)(CC#CC1CCCCC1)Cc1ccc(Cl)cc1 2154702187 XOLSWCXJNPCEPQ-GOSISDBHSA-N 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277.427 4.729 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)C1 2233702420 CNKNETKARDZVTB-DGXTUMSLSA-N 284.390 4.843 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1N 2234047848 XOKWLLWFXPPQHY-IAGOWNOFSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCO[C@H](CC(C)C)C(=O)OC 2234048219 KUFKMAPLBIMHID-MRXNPFEDSA-N 284.440 4.507 30 10 CJEE C=CCCCCCCCCOc1nc(Cl)ncc1CC 2234055493 CJECOTDHSCKQJO-UHFFFAOYSA-N 296.842 4.988 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H](O)CC1CCCCC1 2235526399 KKSUOZHJNPUESS-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)[C@@]1(C)CC=CCC1 2235527191 SKZBTNQTFKHOBM-MSOLQXFVSA-N 278.436 4.580 30 10 CJEE CCCCCCCCC[C@H](C[C@]12COC[C@H](C1)C2)NC 2236296119 QAKPZRGJENZDIC-KURKYZTESA-N 281.484 4.532 30 10 CJEE C=CCC(C)(C)OCCC(CC)(CC)CN[C@@H](C)CC 2238497268 VNKPILTVLOFPLS-INIZCTEOSA-N 283.500 4.942 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2239152419 NKKGUVXBHOLCND-CQSZACIVSA-N 285.422 4.927 30 10 CJEE C[C@H]1CC(C=O)(CCCCCCCC2CC2)C[C@H](C)O1 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296.524 4.605 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2cc(F)cc(C#N)c2)C1 2290273131 KRPVZUIVBDLXQU-HNNXBMFYSA-N 274.383 4.714 30 10 CJEE C=CCCCCCC[C@@H](OCCC(=O)O)C1(C)CCC1 2291284021 JKPHROQEHSGABW-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@@]1(OCCC(=O)O)CCCCC[C@H]1C 2291482594 SXLPTTYUJDPZQM-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](CC1CCC1)OCCC(=O)O 2291588714 BIXAKYYTZPINQV-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCCC[C@@]1(OCCC(=O)O)CCC[C@H](CC)C1 2291669587 IUNIWFMCBHVEPF-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CC[C@H](C)[C@H](CCCCCCCCC)OCC(=O)O 2291792367 YZARVBGBYICRFM-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE C=C1CCC(C[C@H](OCCCN)[C@H](CC)CCC)CC1 2292909860 SDFVKHNZQZIWSP-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@](C)(OCCCN)c1ccc(Cl)cc1 2293270150 YSUUOHSNKYXRFP-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE CCCCCCC[C@](C)(CCCC(F)F)OCCCN 2293572620 LYJWOCWOGFUUSA-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H](C(C)C)C1 2293651846 MKEOELKKHDQRIG-ROUUACIJSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](CCCC(C)(F)F)OCCN 2293742128 IPUNIOWWVYQMKV-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE CCCCCCCC[C@H](C=C1CCCCC1)OCCN 2293926403 CVIURGFPEGDWMP-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCC[C@@H](C)[C@@]1(OCCN)CC(C)(C)CCC1(C)C 2294214253 QNUNNPVQKKQXLX-QAPCUYQASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@H](F)C1)OCCN 2294252937 WUYKPCQHUUWLFS-YESZJQIVSA-N 287.463 4.609 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C1CC(C)C1 2295527868 WGJOXJFPMAZAKF-DAWZGUTISA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)[C@@H]1CC1(C)C 2295685153 URDHOTNQPORABA-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H]1C[C@@H](OC)C1 2295688687 ILXPTIPOXKOPPT-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCC[C@@H](O)C1 2295691700 OQKLLOQAKQMJBA-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Br)cc1CC 2302874292 UXYAVWLJGMJBGN-OAHLLOKOSA-N 296.252 4.628 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312871128 KQIIJMFJTDNMEU-LTIDMASMSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC)cc1Cl 2313690790 AEUQLRNEXFDGCM-UHFFFAOYSA-N 281.852 4.672 30 10 CJEE CC=CC[C@H](CCCCCCCCCCC)NN 2316533139 WFIUAKILBMCROK-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H]1CCC[C@@H](CC)CC1 2316731077 UZRFGTGEWPMBCC-PVAVHDDUSA-N 250.426 4.722 30 10 CJEE CC#CCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318363115 YACVKKGKWOQQRZ-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE C#CC[C@H](C)CC(=O)CCc1cc(Cl)cc(Cl)c1 2318638395 BYMJESRIIPUTEG-NSHDSACASA-N 283.198 4.545 30 10 CJEE C=CC[C@H](C)[C@@H](CC(C)(C)C(C)(F)F)NCCC 2321108104 MMWUAIZYOGRKDU-QWHCGFSZSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CCCC2(CC2)C1 2321237351 LXIOOBNQGZKZEC-XHSDSOJGSA-N 250.426 4.700 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)N[C@@H](C#N)C(C)C)c1Cl 2327859828 KIYVQZHSDDYHNS-MFKMUULPSA-N 285.218 4.501 30 10 CJEE Cc1c(Cl)ccc([C@]2(C)CC[C@@H](CC#N)O2)c1Cl 2327985989 BDOXWDALZOTFDN-HZMBPMFUSA-N 284.186 4.610 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329718136 KMIAEOFMOWALER-BARDWOONSA-N 273.411 4.759 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)C)CC[C@H]1NCCC 2335098205 HKJOAHHGHDFJNR-YLFCFFPRSA-N 283.525 4.877 30 10 CJEE CCCCCCCCCC1(OCCN)[C@@H](C)C[C@@H]1C 2338769726 XOWKRTRGQOZLRM-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE CN[C@@H](C#C[C@H]1CC1(C)C)c1cc2sc(C)cc2s1 2339571257 DIRWDSPYTLGGFG-RYUDHWBXSA-N 289.469 4.581 30 10 CJEE C=CCC(C)(C)COc1cc(Cl)nc2ccccc12 2344366001 DHUQOULOMUGAER-UHFFFAOYSA-N 275.779 4.869 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2344458563 AECNNIDPBAFTQU-WCXIOVBPSA-N 264.453 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(F)ccc(CC)c1F 2344463160 CYJCFUQFIYBMRE-HZPDHXFCSA-N 268.347 4.553 30 10 CJEE CN(CCCCCCCCCS)[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2355296505 BHATVMINDQDJHZ-DZVNLGKHSA-N 295.536 4.623 30 10 CJEE CC1(C)[C@H]2CC[C@H](CNc3cc(Cl)ccc3C#N)[C@@H]1C2 2359519040 JHZCANSUVXKYFQ-IPYPFGDCSA-N 288.822 4.696 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@@H]1C)NC 2360180155 SXLSMRXLBCDZCR-WNRNVDISSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2360335214 ZISVFPVOPGEROO-USXIJHARSA-N 276.420 4.657 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NC)C[C@H]2CCCCC[C@@H]12 2360342818 IRNCPIYKBBBMKT-DDBAPUKQSA-N 293.520 4.797 30 10 CJEE Cc1c(Cl)cccc1/N=C/c1c[nH]c2ccccc12 273916 HNAXIKCOMSBCLF-GIJQJNRQSA-N 268.747 4.880 30 10 CJEE C=CCN1C=Cc2ccccc2C(c2ccc(F)cc2)=C1 2513758 LIPARCDGARBHMC-UHFFFAOYSA-N 277.342 4.687 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC)Cc2ccccc2)C1 37146868 OGODHEJORXWHIX-BHIYHBOVSA-N 284.447 4.617 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)ccc2C)cc1C 50429582 HHVMOLSKNYCRLE-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C[C@@](C#N)(CCCOc1ccc(Cl)cc1)c1ccccc1 57687453 ANEZRJGDLOFWDK-SFHVURJKSA-N 299.801 4.980 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCOc2c(C)cccc2C)c1 57695428 WVHZZSMEKWPLCB-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CC(C)(C)c1ccc(C[C@H](C#N)c2ccccc2F)cc1 57744728 HTXQZMKRLXVKDN-OAHLLOKOSA-N 281.374 4.973 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(OC)cc(OC)c1 59089802 WBVCIFBMWLHRCR-AWEZNQCLSA-N 279.424 4.865 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C(CC)CC)N(C)C 59090401 UTDRDSAUDZAXPV-WMZOPIPTSA-N 284.532 4.691 30 10 CJEE CSc1ccc(Nc2cccc(Cl)c2C#N)cc1 70138323 MJHHHZLPLFWQTK-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1ccc(F)c(Cl)c1 71390642 KPMHBRABYNBALF-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCN[C@H](C)c1cccc(SCc2cccc(C#N)c2)c1 84125258 KRGIWRPPKRRWEW-CQSZACIVSA-N 296.439 4.521 30 10 CJEE N#CC1(c2ccc(Cl)c(Cl)c2)CC2(CCC2)C1 86544413 VCAFBABFVHIOAN-UHFFFAOYSA-N 266.171 4.719 30 10 CJEE CC(C)c1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1 91881631 CUTXIFOEARNKPG-QGZVFWFLSA-N 271.404 4.708 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Sc1ccc(Cl)cc1 93955907 OYLZWMGOPLLDOD-GXFFZTMASA-N 251.782 4.514 30 10 CJEE CCCC(CS)(CCC)CN(C)C1CCCCC1 94578158 MDTRBVCOMSJCTD-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1cccs1 103930842 DCCMJWNHPIGJAB-CQSZACIVSA-N 254.439 4.792 30 10 CJEE CCCCCCCCCn1ccc2ccccc2c1=O 103947311 BAFRUDIINBNRCN-UHFFFAOYSA-N 271.404 4.752 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(F)cc1 103951468 KZTHUZGPFOENMV-MRXNPFEDSA-N 251.389 4.966 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1NC 103978104 VDAOIQNAEBQKAL-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1CC)c1ccc(Br)s1 107597054 GQXQIKUUTXEVCZ-BBBLOLIVSA-N 289.238 4.572 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(OC)c(C(C)(C)C)c1 107613185 RQMWMUAIRJJIAD-KGLIPLIRSA-N 258.405 4.756 30 10 CJEE CCCCCCCCO[C@H](CC)[C@H](CCC)NC 110083903 RSNKYLGEGWMUHR-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE Cc1ccc2c(c1)CCCN2c1cccc(Cl)c1C#N 110253481 NYJAHCUEGSECGB-UHFFFAOYSA-N 282.774 4.604 30 10 CJEE CCCCCCCCCCOc1ccccc1C(N)=S 110271106 YITNRPYJVXNXSL-UHFFFAOYSA-N 293.476 4.840 30 10 CJEE C[C@@H]1CCC[C@@H](c2nc(-c3cccc(C#N)c3)cs2)C1 110310537 HMGBKOJIAWZYTO-IUODEOHRSA-N 282.412 4.975 30 10 CJEE CCCCCCCCCCN(C)c1ccc(C(=N)N)cc1 110322466 RKHICMZBCJBGOM-UHFFFAOYSA-N 289.467 4.548 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccccc1OC)NC 112893653 IYTLIPPPTQNECH-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](C)OCC 113051147 APQFYXYRQNTAEI-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(C(F)(F)F)cc1 113059423 LBNPYNXSDREAGC-HNNXBMFYSA-N 288.353 4.969 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@H]1C1CC1 115249714 UCDBNUMJLRCJNA-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@]1(C#N)CCOc2ccccc21 115839004 LSCBIMDPSUVFRN-GOSISDBHSA-N 271.404 4.981 30 10 CJEE CCCCCCCCCCCc1nc([C@](C)(N)CC)no1 115861841 FXSQZALXALFQTF-QGZVFWFLSA-N 295.471 4.727 30 10 CJEE CCCCCCCC[C@H](NN)c1ccccc1SC 122395906 QSGZXWFUXDBTHX-HNNXBMFYSA-N 280.481 4.664 30 10 CJEE Cc1ncccc1/C=C/C(=O)c1ccc(-c2ccccc2)o1 123421267 NMIYFYDXCLTLDM-MDZDMXLPSA-N 289.334 4.546 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCCO1)NCC 127187286 DYHDLCONRXOJAB-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](CCc1cccnc1)NCCC 139670990 PQBOJKJGDRXAAF-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCCC(=O)c1cncs1 147457532 KWKBZRFNPPYYNC-UHFFFAOYSA-N 253.411 4.857 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc([C@H](O)C2(C#N)CCCCCCC2)o1 156808380 CSPXMIZKFGMFCX-KEYYUXOJSA-N 287.403 4.691 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(F)c1F 158048042 PKRDQEQLVMUFML-CQSZACIVSA-N 255.352 4.586 30 10 CJEE CCCCCCCCn1c(N)nc2cc(Cl)c(F)cc21 159402781 GBTUUGDFFFYCMO-UHFFFAOYSA-N 297.805 4.772 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)c2cc(OC)ccc2O1 165284196 XHHCPFJJQIKMGS-GOSISDBHSA-N 290.403 4.780 30 10 CJEE C=CCCC[C@H](NCCC)C1C2CC3CC(C2)CC1C3 167706602 OIWORPNCAPMGRN-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1cncn1C 213584722 LVLGHHLCPKQRHP-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CCCCCCCC(=O)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 229131318 CCYVLMWDMKYJSE-QRQLOZEOSA-N 270.416 4.892 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccccc2C#N)C1 230765482 CWHOKPBZKQCANG-GDBMZVCRSA-N 256.393 4.575 30 10 CJEE CC(C)c1ccccc1OCCCCC(C)(C)C#N 232732734 QIFMOHUHOKBPCH-UHFFFAOYSA-N 259.393 4.909 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](O)c1ccccc1 232950353 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CJEE N#C[C@]1(C[C@H]2CC[C@@H]2C(F)(F)F)CCCC(F)(F)C1 2224452387 DFRLVSHECQPMIN-VWYCJHECSA-N 281.268 4.684 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1CC[C@@H]1N 2225442169 KBYCXBJAGDSIEG-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE N#Cc1cc(CSCCCCCC2CC2)ccc1F 2227195711 BZRQLBXPZNGTDF-UHFFFAOYSA-N 277.408 4.901 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](CC)COC 2227267886 KNMRTSFUDIKDLT-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE CC1(CCC(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CC1 2227500774 JNIKBDKILXGAPC-LLVKDONJSA-N 296.197 4.750 30 10 CJEE C=CCCCCCCC(=O)c1cc(OC)ccc1F 2227702517 MJVDKSLJRNWFCN-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE CCCCCCC[C@@H](CC1(C)CC2(CCC2)C1)NN 2228361254 AIYVGTILANRTKO-HNNXBMFYSA-N 266.473 4.539 30 10 CJEE CCCCCCCCCCOC(=O)CC1(CS)CC1 2231017623 QPVQGNWSZAABDY-UHFFFAOYSA-N 286.481 4.770 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(C)cc1Cl 2231483462 LSNSUNWKIKXRDX-HUUCEWRRSA-N 279.855 4.771 30 10 CJEE CCCCCCCC1(CNC2CCC2)C[C@@H]2C[C@H]2C1 2231503725 KXNQDKHAYKGYMP-HOTGVXAUSA-N 263.469 4.905 30 10 CJEE C=CCCCCc1ccc(CNC(C)C)c(F)c1Cl 2231737335 BIRHKCCSNLBAEV-UHFFFAOYSA-N 283.818 4.876 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc(C#N)nc1 2231931420 XJTJOPLPGMYZNA-AWEZNQCLSA-N 259.397 4.504 30 10 CJEE CCCC#C[C@H](NCCC)c1ccccc1C1CCC1 2233782035 LJUNAXSACOQOEJ-IBGZPJMESA-N 269.432 4.798 30 10 CJEE C=CCCCCO[C@H]1[C@H](NCCC)CC(C)(C)C1(C)C 2234057157 MFPAAGFRZNCWBG-CVEARBPZSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCCNCC[C@@H]1CCC(C)(C)CO1 2235519638 RXGJEKSSGMZPHY-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1coc(CC)n1 2235536544 WHJWPUNYGDNRFM-OAHLLOKOSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCC[C@H](NC)C1(OC)CCCCC1 2235537637 DNFNEOIHTNXBOK-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CC1(C)CCC([C@@](C)(N)C#Cc2cccc(Cl)c2)CC1 2239462491 KQTHKPIVGZAWAU-SFHVURJKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)C1(C)CCC1 2239492501 KRQXBHJQSWQAPT-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=C[C@H](CCCCC)O[C@]1(C(=O)O)CCC[C@@H](C)CC1 2239494539 FDOBNTOQKJOFMJ-BFYDXBDKSA-N 282.424 4.562 30 10 CJEE C=C[C@@H](CC)OCc1cccc(CN[C@@H](C)CC)c1Cl 2239502844 OWZAMIKESUELHZ-BBRMVZONSA-N 295.854 4.709 30 10 CJEE CCCCCCC[C@H](CN[C@H](C)CC)C1CCOCC1 2240114300 RUYBSKOYUSOYLJ-SJLPKXTDSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@@]1(C)[C@@H](CNCCOC)C1(C)C 2240574326 MQQVTSBWWSJUME-WMZOPIPTSA-N 283.500 4.635 30 10 CJEE CCCCCCCC[C@](C)(N)c1nc2c(s1)CCCC2 2240611547 KIAHARGYBMQRQM-KRWDZBQOSA-N 294.508 4.946 30 10 CJEE CCCCCCCC[C@@](C)(O)c1nnc(C(C)(C)C)s1 2240618486 SUUDSPRFWIGGLL-MRXNPFEDSA-N 298.496 4.794 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1cc(C)sc1C 2240641553 BXQHQGRNLJKGET-IRXDYDNUSA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CC(C)C)CN(C)C 2240650284 RJMXGCVPVRZKLB-ZWKOTPCHSA-N 284.532 4.691 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]1(C2CC2)CCCO1 2240665805 HCGUQHMTFOGGIX-SJLPKXTDSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)[C@@H]1C[C@@H]2CCO[C@@H]12 2240666229 KYYFIYYPSQBLBI-FLXSYLCISA-N 281.484 4.529 30 10 CJEE SC[C@H](COCC12CC3CC(CC(C3)C1)C2)CC1CC1 2240671132 RXTREHLIITYHQI-LESVLKBLSA-N 294.504 4.566 30 10 CJEE C=CCN(CCCC[C@H]1C[C@H]1C)Cc1ccccc1 2241388395 IVFMKCMCHQMXOH-AEFFLSMTSA-N 257.421 4.501 30 10 CJEE C=CCCCSCc1ccccc1Br 2241917115 POYYYEIRKNAWPM-UHFFFAOYSA-N 271.223 4.649 30 10 CJEE C=CCCCC[S@@](=N)(=O)C[C@H](CC)CCCC 2253022991 UNHRWWUVTKRQBQ-RHSMWYFYSA-N 259.459 4.606 30 10 CJEE CC1CCC(C=O)(CCCCC[C@H]2C[C@H]2C)CC1 2257293614 RBIQGOIOWIZPLW-GMRIPVOYSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCSCCCCC(=O)OC 2258986951 JBGDQSDFLMEYGY-UHFFFAOYSA-N 272.454 4.590 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(Cl)cc1F 2259176795 QWERKZLSUKLGGK-OAHLLOKOSA-N 269.791 4.790 30 10 CJEE C=C1CCC(NCC[C@@H](C)CCCC(C)C)CC1 2259673268 QCHCERWBXQKUAU-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@H]1SC 2263712858 RETGMTNYALJDJM-JYJNAYRXSA-N 271.514 4.999 30 10 CJEE CCCCCCCCC[C@@H](C)NCCOCCC 2263716613 VTMHHNXPDIKYCL-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE Cc1c(F)ccc(Nc2cc(Cl)ccc2C#N)c1F 2264429203 RWTKFNMYZCVGNB-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@@H](C)NCCc1csnc1C 2265449295 QYIRPJFZFHKTDM-CQSZACIVSA-N 282.497 4.723 30 10 CJEE N#Cc1cccc(F)c1OCc1cc(Cl)cc(Cl)c1 2265696109 OTGMOOHZIAANOM-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CO[C@@H](CSC[C@H](C#N)C(C)(C)C)C1CCCCC1 2268661615 ZCLWOAQTFQAIFJ-GJZGRUSLSA-N 283.481 4.501 30 10 CJEE C=CCCSCc1c(C(=O)O)sc2cccc(F)c12 2271488337 MYQQFIXNPKFBTP-UHFFFAOYSA-N 296.388 4.548 30 10 CJEE C=C(C)CCCC[C@@]1(N)c2ccccc2CC[C@@H]1C 2271764481 GWPKTFSNJHLVSI-YJBOKZPZSA-N 257.421 4.559 30 10 CJEE C=C(C)CCCC[C@H](NC)c1snc2ccccc12 2271783982 AGROGVUNKPKBBQ-HNNXBMFYSA-N 274.433 4.693 30 10 CJEE CCCCCCCOCC[C@H]1CCCC[C@@H]1NCC 2273191740 MKIBMMIHJNVNLS-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](CC1=CCCCC1)OCCN 2276125262 NKGNGCNYHVXXTC-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@@H]1C)OCCN 2276883106 ZHLUXHHUOQKDGN-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C1(Cl)CC1 2277293487 MTVJWLTXMIUDTG-HNNXBMFYSA-N 289.891 4.633 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1CC(CC)C1 2277340129 XERZAUNPEDYZMD-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1COC 2278175485 HJOOYAUFSRWLKN-BBWFWOEESA-N 270.457 4.551 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H]1CCCCC12CC2)NC 2279524441 NVKLNFFHEULSJA-QZTJIDSGSA-N 269.432 4.648 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc(C)c1C#N 2280560882 BFYHMRPXMTYQFM-HZPDHXFCSA-N 268.404 4.556 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CC1=CCCCC1 2281265239 ISLSPXJIAMXSAN-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE N#CC1(c2cccc3ccccc23)CC(CC2CC2)C1 2285322425 SNNIIKGFZNUZFE-UHFFFAOYSA-N 261.368 4.811 30 10 CJEE CC[C@](C#N)(Cc1cccc(OC(F)(F)F)c1)C(C)C 2286786845 ZXVGEJSJEUCANF-CQSZACIVSA-N 285.309 4.704 30 10 CJEE C=CCCCCCCCSc1nnc(C)c(C)c1C#N 2287088479 CLCDSZWFVNBNAF-UHFFFAOYSA-N 289.448 4.584 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1CC2(C1)C(F)(F)C21CC1 2287408492 JFTHNHFAMXETLW-NPCAHTBFSA-N 283.406 4.536 30 10 CJEE CCC[C@](C=O)(CC)CN(C)C[C@H]1CC[C@H](CC)CC1 2287670294 PAEHJGANXODZAX-KZNAEPCWSA-N 281.484 4.530 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](C)c1cccc(Cl)c1 2287672282 GBKVXDQWICNOOI-RHSMWYFYSA-N 295.854 4.728 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@]12CCC[C@@H]1CC2 2288972276 AUEYBSGBEUARFT-CEXWTWQISA-N 269.432 4.648 30 10 CJEE CCSc1cccc(N[C@]23CCCC[C@H]2CC3)c1C#N 2289132183 MKIMEFLMIQHZSV-GUYCJALGSA-N 286.444 4.805 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1CC2(CCCC2)C1 2289692281 HEMPQNMIGZBZRW-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CCC(C)(C)C1 2289698958 WYONFFGPXQNUJK-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCN[C@H](CCC#CC1CCCC1)CC1CCCCC1 2289872040 YMQQWNNNLNHETC-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)C1CCCC1 2290608421 JBSDZLVVOUQNDE-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)c1ccoc1 2291630147 NVFUYVHYGYLRAH-OAHLLOKOSA-N 282.380 4.563 30 10 CJEE C=CCCC[C@@](CC)(CC1CCCCC1)OCC(=O)O 2292041572 VGAWMOGUFKXDIK-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@H](C)[C@]1(OCCCN)CCCCCC1(C)C 2293132528 BEKZQEZFHDAQSG-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C1CC(C[C@H](CCCCCCCC)OCCCN)C1 2293279475 DXGULSHLTLZYPP-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1coc(C)c1 2293444786 JPWGMGUBPRTWHU-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CC)C(C)(C)C 2295532078 RRBKLLZVLNJXLU-GOSISDBHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC(C)(NC)CC1 2295535213 ADPVKUZAFXUHKP-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnn(C(C)C)c1 2295578979 MDOZAGLCXBJXLC-KRWDZBQOSA-N 280.456 4.812 30 10 CJEE CCCCCCCCC[C@@]1(C)CNCC2(CCCC2)O1 2295673176 FMLLRBYMOQPGQK-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)[C@H]1C[C@H]1C 2295677689 VHWDLFMDSMEDBE-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CCC[C@](C#N)(NC)[C@H]1C 2295710502 HMALODRXNRWKQD-MWDXBVQZSA-N 296.524 4.606 30 10 CJEE CCCCCCCCC(=O)c1scc2c1OCCCO2 2296221466 IUEVGENLDQCTJY-UHFFFAOYSA-N 296.432 4.843 30 10 CJEE C=CCC[C@](C)(N)Cc1ccc(Cl)c(Cl)c1C 2301115697 VJPFGPYXJTWGHV-AWEZNQCLSA-N 272.219 4.528 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CC[C@H]1C2 2312900602 QXIDKDWVOUEMKM-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C#CC(C)(C)COCCCc1cc(Cl)cc(Cl)c1 2318634101 AEGFCRIAHIOYTI-UHFFFAOYSA-N 285.214 4.602 30 10 CJEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)CNC 2318660016 KUUWSRHHVXNHJM-HNNXBMFYSA-N 286.246 4.728 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Cl)c(C)c1 2321140247 GDFAUEQEAINJMX-CVEARBPZSA-N 265.828 4.901 30 10 CJEE CCCCCCCCC[C@@]1(F)CN[C@@H](C(C)C)C1 2321523082 YEEBOYGFJMYMGR-CVEARBPZSA-N 257.437 4.853 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@@H]1CCC(C)(C)C1)NCC 2321602137 FELKBCKVXUEBBI-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CC(C)=CCC[C@H](C)OCC1(CS)CC(C)(C)C1 2321709297 BZOSWRJNVAIONV-AWEZNQCLSA-N 270.482 4.874 30 10 CJEE C[C@@H]1CC[C@H](OCC2(CS)CC(C)(C)C2)[C@H](C)C1 2321710702 OMGOLWAMHWLJFR-MCIONIFRSA-N 270.482 4.564 30 10 CJEE CCCOc1cccc(C=NNc2ccc(C)c(C)c2)c1 2322922592 ANAQRQTVXSTIAD-UHFFFAOYSA-N 282.387 4.538 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1OC[C@](C)(CS)C(C)(C)C 2327167307 DMQNNJKNAUYWHX-ORIJERBGSA-N 272.498 4.810 30 10 CJEE Cc1ccc(CON=C(c2ccc(C)cc2)C2CC2)cc1 2330296569 SECBTBQVQDJFOJ-UHFFFAOYSA-N 279.383 4.634 30 10 CJEE CC(=NOCc1cccc(F)c1)c1ccc(C(C)C)cc1 2330454365 JCLATHINRWGKMP-UHFFFAOYSA-N 285.362 4.890 30 10 CJEE C=CC[C@H](C)Sc1ccc(C(C)=O)c(C(F)(F)F)c1 2335183441 RPDZXEOHRCMQBO-VIFPVBQESA-N 288.334 4.965 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1csc(C(F)(F)F)c1 2337074346 LIPITURYJIBTLB-NWDGAFQWSA-N 289.366 4.601 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC 2338749867 NAOKFYHZMNHCSH-NRSFXHEJSA-N 261.453 4.559 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCC 2339266722 COJQPKBFQQZHGK-OBVSXPTNSA-N 261.453 4.559 30 10 CJEE CCCCCCCC[C@H](O)C(=O)[C@@H](C)[C@H](C)C(C)C 2340126140 NTBHQSSZCIHUCE-PMPSAXMXSA-N 270.457 4.595 30 10 CJEE CCCCCCCCCO[C@H](C)CCCCNCC 2340373550 RBSAQVHUTFPOOR-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cccc(C2CCC2)c1 2343783220 BQAUEJIGKRAESZ-GOSISDBHSA-N 255.405 4.722 30 10 CJEE N#C[C@@]1(Cc2cccc(C3CCC3)c2)CC=CCC1 2343807789 BJPAJOGXNFFODO-SFHVURJKSA-N 251.373 4.747 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1snc2ccccc12 2344357657 RQKYVMLYSQRABC-OAHLLOKOSA-N 274.433 4.549 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(C(C)C)cc1)NCC 2344380259 ZHIQXZXYTSYWCW-YJBOKZPZSA-N 259.437 4.543 30 10 CJEE CCCCCCCCC(=O)c1cncc(C(F)F)c1 2353517443 RSRQDJJQUTVCHB-UHFFFAOYSA-N 269.335 4.953 30 10 CJEE CCCCCCCCOc1ccc(CN)c(SC)c1 2353841022 HLBAUNMLAODHBK-UHFFFAOYSA-N 281.465 4.607 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2C[C@@H](OC)C[C@@H]21 2357064866 BHMFTGOTVOFEKV-XWTMOSNGSA-N 282.468 4.693 30 10 CJEE N#Cc1ccccc1N[C@@H](c1ccc(Cl)cc1)C1CC1 35254945 YCMHOSQTDFXHAJ-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2cccc(F)c2C#N)cc1C 36138422 BCAKRXNKNPBGFZ-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)c2cccc(Cl)c2)cc1 36931493 YHDRALMNTJDKGM-KRWDZBQOSA-N 297.785 4.953 30 10 CJEE COc1cccc(NC2(C#N)CCC(C(C)(C)C)CC2)c1 37937757 QAIDDBFAARVVKC-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE Cc1ccc(/N=C2/NC3(CCCCC3)CS2)c(Cl)c1 53097790 DPCSTMGYVMTOCJ-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](C)N)cc1OC 59088211 NEWSLVCPZMDYHR-OAHLLOKOSA-N 293.451 4.844 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NCC)cc1F 59184460 NVWUNDFYQOCKML-CQSZACIVSA-N 281.415 4.845 30 10 CJEE N#Cc1cc(-c2ccc(Br)s2)oc1C1CC1 77084476 ZPMVCDRSKBYBKB-UHFFFAOYSA-N 294.173 4.520 30 10 CJEE COc1ccc(Cl)cc1CC1(C#N)CCC(C)CC1 87930634 KOZKQWFMLJEPFY-UHFFFAOYSA-N 277.795 4.611 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)C(C)(C)C 94580082 LVJSBPLURQBFPG-AWEZNQCLSA-N 273.530 4.869 30 10 CJEE CC(C)(C)[C@H](CS)CSc1nc2ccccc2s1 94588985 XUZGKCLNUBZVQI-SNVBAGLBSA-N 297.514 4.981 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccccc1Br 97208573 STAMBVRXWRJUFT-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(Br)c(C)c1 107608968 YCDROTKFOJERDF-CMPLNLGQSA-N 265.194 4.520 30 10 CJEE CCCCCCCCNCCCN(C)C1CCCCC1 109916811 UVYZVBYQLZLGAK-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE Cc1cccc(C)c1Nc1cccc(Cl)c1C#N 110253200 VHZMWBDQXLVRER-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CN(CC1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 110264148 SPYDNMPITATKCH-OKZBNKHCSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OCC)cc1 114873137 UYVFWEJXDFTMBC-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE N#Cc1cc(Cl)nc(Nc2ccc3sccc3c2)c1 122832931 CGFHCGVBHWVMMI-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCCCCCCN1CCC[C@H](N)c2ccccc21 122837004 BTEWSGFJXVWWSV-KRWDZBQOSA-N 274.452 4.647 30 10 CJEE CCCCCCCOc1ccc(Br)c(C=O)c1 124141505 HVZIYROXBFLMSI-UHFFFAOYSA-N 299.208 4.611 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1cc(C)nn1C 127221877 JGUVRCSAWAYPMP-SFHVURJKSA-N 294.483 4.553 30 10 CJEE C[C@@H]1CCCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 128759650 DMIUEVKQDQXRAB-VXGBXAGGSA-N 296.336 4.815 30 10 CJEE CC1(C)CC(Nc2ccc(C#N)cc2F)CC(C)(C)C1 129738034 UWZVTAQLUXITAB-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc(CC)cn1 131946089 JTXNWWRXTYJODK-GOSISDBHSA-N 277.452 4.688 30 10 CJEE CCSc1cccc(NC[C@@H]2CCCC[C@H]2C)c1C#N 136650715 SSZFDANAHNYQHA-KGLIPLIRSA-N 288.460 4.908 30 10 CJEE CCCCCCCC[C@@H](CCSC)NCCC 140302999 VSYLADDTQDRURM-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCc1ccc([C@H](O)C2(C#N)CCCCCCC2)cc1 156804083 QKBNECJMHYNMKE-KRWDZBQOSA-N 271.404 4.537 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H](N)c2ccccc21 157394239 NVXDKNGOIAMEAH-RDJZCZTQSA-N 296.439 4.521 30 10 CJEE CCCCCCCCN[C@@H](C)c1nc(C)sc1C 160803441 ZHQWZBLXODYFDJ-LBPRGKRZSA-N 268.470 4.771 30 10 CJEE N#Cc1cc(F)cc(CNc2cc(Cl)cc(Cl)c2)c1 162893273 WESBXHUIMXDIFF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(CC)OC 163537383 RDUVDGQXCAUHSL-DLBZAZTESA-N 271.489 4.920 30 10 CJEE C=C(C)CC[C@@H](O)C1(c2ccccc2)CCCCC1 164487383 FXBDVZSPWQTALG-QGZVFWFLSA-N 258.405 4.606 30 10 CJEE CC(C)=CC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 167826636 DOTBFTLOJQDCAS-JGAFYBCUSA-N 260.421 4.908 30 10 CJEE N#C[C@H](c1c(Cl)cccc1Cl)C1CCCC1 167853966 GCGTYYYNLVCWDR-JTQLQIEISA-N 254.160 4.791 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(F)c(OC)c1 168336473 UOLMJOJYMZYGKZ-OAHLLOKOSA-N 268.372 4.618 30 10 CJEE C#Cc1ccc2ccc3c(C#C)ccc4ccc1c2c43 168959165 ANAJYRYWCSPFKM-UHFFFAOYSA-N 250.300 4.547 30 10 CJEE CCCCc1ccc(Nc2ccc(C#N)cc2C)cc1 203441916 XKZCIYOWANEXNW-UHFFFAOYSA-N 264.372 4.953 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)C1 222797683 JBQUVYABOSFZPQ-DFBDCSAJSA-N 290.495 4.851 30 10 CJEE C=CCC[C@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 227522786 FJJHCEWKGOKERH-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE COCCCCC1(C#N)CCC(C(C)(C)C)CC1 228745057 GYEKJQBDCLVUDL-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CCCCCCCC(=O)c1cccc2cccnc12 229320775 GWOMGTJUHXNKIU-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CC(C)(CCC#N)CN[C@H]1CCCC[C@@H]1C(C)(C)C 229674647 FEMOFZHUZYLYCS-GJZGRUSLSA-N 264.457 4.511 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(OC(C)C)c1 229759674 UFHABNCQUURJLU-GOSISDBHSA-N 275.436 4.871 30 10 CJEE Cc1cccc(NC(CC(C)C)CC(C)C)c1C#N 232568679 ZMHLJCZIDWZVET-UHFFFAOYSA-N 258.409 4.739 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](C)N)c(F)c1 232954726 QVXSGIZCTWQRDC-CQSZACIVSA-N 281.415 4.975 30 10 CJEE CCC[C@@H](CS)CSCc1ccccc1Cl 233290051 CNYXMJFMKPBEIV-NSHDSACASA-N 274.882 4.919 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CSc2ccccc21 234452792 WGNPHSDINJKEAW-HZPDHXFCSA-N 275.461 4.600 30 10 CJEE Cc1cc(C)c(OCCCCC(C)(C)C#N)c(C)c1 235789126 NCZQKXYPPAOMDE-UHFFFAOYSA-N 259.393 4.711 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1C[C@H]2CC[C@H]1C2 252901234 KQIIJMFJTDNMEU-QAETUUGQSA-N 252.442 4.924 30 10 CJEE COc1ccc(C(C)(F)F)cc1C1(C#N)CCCCC1 260671559 WEIBWODLQUMFKY-UHFFFAOYSA-N 279.330 4.532 30 10 CJEE CC(C)(C)C#CCC(=O)c1ccccc1C(C)(C)C 302242342 FWDWHYBXVCZJPE-UHFFFAOYSA-N 256.389 4.606 30 10 CJEE C=CCCCCN[C@@H](CC)c1cccc(Cl)c1 310321719 XETOPARALYEXME-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE N#Cc1ccc(Cl)c(NCC2CCCCCCC2)c1 311285845 XUTQIHSSZYKELX-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE CCCN[C@H](C)c1cccc(SCC#CC(C)(C)C)c1 312278825 HJABMYTTZMBASU-OAHLLOKOSA-N 289.488 4.889 30 10 CJEE CCCCCCCCCCCC[C@@]1(CO)CCCO1 315153467 DPMCRSVMAXPKFE-KRWDZBQOSA-N 270.457 4.839 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1csc2ccccc12 384705840 CDABKDGQTJGTHH-JLZZUVOBSA-N 285.412 4.655 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(CCCC)cc1 384992968 TZPUFTOANATZPY-OAHLLOKOSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@H](C)C1CCCCC1 387138345 IMTQUQJGBGJEJI-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)c(Cl)c1)C(F)(F)F 388533909 OWVIEIZZYNIGFE-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC[C@@H]2C)C1 395058790 YTGIXRGLZMOYPS-XLAORIBOSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@@H](CCOCc1ccccc1)NCC 395638633 WWACLWGVNKDRJI-IBGZPJMESA-N 289.463 4.708 30 10 CJEE N#CCc1c(Cl)ccc2scc(C(F)F)c12 396188863 LBTBXQWDIHTMAJ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC1(C)OB(/C=C\C2CCCCCCC2)OC1(C)C 396719226 MLNSSZGDRXZQJC-SEYXRHQNSA-N 264.218 4.535 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccc(Cl)c(Cl)c1 397622950 JMAOHUAEJBYAAM-VIFPVBQESA-N 271.191 4.591 30 10 CJEE C=CCCC[C@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 398106840 VXGYLAJIBUQZQH-JTQLQIEISA-N 282.771 4.713 30 10 CJEE C=C(C)C[C@H](NCCC)c1cscc1Br 404790453 RARIIFPDYZJRIM-LBPRGKRZSA-N 288.254 4.518 30 10 CJEE C=CCC[C@H](NCCC)c1cscc1Br 404801601 VMJMZYADYVDKQH-LBPRGKRZSA-N 288.254 4.518 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 680988862 JPQQZRFZNIYSSB-ZDUSSCGKSA-N 289.419 4.534 30 10 CJEE Cc1cc(C(C)(C)C#N)cc(C)c1OCc1ccccc1 687772888 AHFHTNWRNCWUST-UHFFFAOYSA-N 279.383 4.684 30 10 CJEE CC(C)(C#N)CCCCN1CCC[C@@H]1C1CCCCC1 688811258 ZJYSDSFNRUNIMG-QGZVFWFLSA-N 276.468 4.751 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC1(F)F)NCCC 691201249 DDSVEUUZKUHWPE-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC(C)(C)C(F)(F)CC)C1 691808682 UXHXYWKWYOSCCZ-JSGCOSHPSA-N 260.368 4.843 30 10 CJEE C=CCCC[C@@H](NC)c1cc2cscc2s1 694383423 LNHYRNMHYYISCI-LLVKDONJSA-N 251.420 4.580 30 10 CJEE CCCCCCCCCCCC[C@H](O)C(C)(C)CN 695591524 BSTJXBHCWXSJIY-INIZCTEOSA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@H](O)CC1(N)CCCCC1 696234599 FBGRWRRUBCLGGN-INIZCTEOSA-N 269.473 4.540 30 10 CJEE CCCCCCCCCC[C@@H](CN)C1CCOCC1 696868524 UFJYFOYRBYNGRO-KRWDZBQOSA-N 269.473 4.519 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CC12CCOCC2 709683805 WOADZULCERZANM-SJORKVTESA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)CC(F)(F)F)NN 709920072 UFIUVZVOVUXVNW-LBPRGKRZSA-N 282.394 4.548 30 10 CJEE C=C(Cl)C[C@H](CCC1CCCCC1)NCCC 710663813 NFYFECQBNOKCOV-HNNXBMFYSA-N 257.849 4.858 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CCC3(CCC3)O2)CC1 712394450 AALYOVMXVYJJMD-AQFXKWCLSA-N 275.436 4.834 30 10 CJEE CCC1(/N=C2/NC3(CCCCCC3)CS2)CCCCC1 713261560 DMKGQHNHASDHME-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE C=CCCCCC[C@H](NCC)c1c(F)ccc(F)c1F 716428140 FYSXYDKWJSCQBQ-AWEZNQCLSA-N 285.353 4.891 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC(C)(C)CO1)NC 717037641 DFAILNGGABPWQF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 723625408 KGQRYQVPGIVPFU-HLLBOEOZSA-N 268.404 4.638 30 10 CJEE C=C1CCC(COc2cc(F)cc(Cl)c2)CC1 724573836 WCHQPUWDKTZZRZ-UHFFFAOYSA-N 254.732 4.604 30 10 CJEE CCC1CCC(C#N)(CC2C[C@H](C)O[C@@H](C)C2)CC1 724881508 COBFYZCORFEUGI-JPQBHMHHSA-N 263.425 4.690 30 10 CJEE C[C@H](CC1CCC1)/N=C1/N[C@H](C2CCCCC2)CCS1 725091404 YRVLHXJKQWHSTP-CJNGLKHVSA-N 294.508 4.597 30 10 CJEE C=CCO/N=C(\CC)c1ccc(-c2ccccc2)cc1 821220152 XXXDUYAFKWLIOV-VHEBQXMUSA-N 265.356 4.670 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccc(CC)cc1)C(C)C 1124687879 NNCLYNMXPHOLDV-KXBFYZLASA-N 287.447 4.665 30 10 CJEE C=CCN(C(=O)c1ccc(CCCC)cc1)c1ccccc1 1124757332 QNISMCIKRIOONU-UHFFFAOYSA-N 293.410 4.862 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 1127519378 JWZCMOILWPBKRC-CVEARBPZSA-N 287.447 4.604 30 10 CJEE C=CCCCCN(C)Cc1cc2ccccc2nc1Cl 1137978654 NIIWXYURPMLQAC-UHFFFAOYSA-N 288.822 4.676 30 10 CJEE C=CCC1(C(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 1141391420 JJSAHQCEKFVTFA-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE C#CCCCCCCN1CCC(CCc2ccccc2)CC1 1176193212 MIWZSOSYCDNWBM-UHFFFAOYSA-N 297.486 4.915 30 10 CJEE C=CC[C@H](C)Nc1ncnc2sc(-c3ccccc3)cc12 1185387661 SYXDMZDICMBKCH-LBPRGKRZSA-N 295.411 4.735 30 10 CJEE C=CC[C@H](C)N(CC)CCc1ccc(C(F)(F)F)cc1 1195368533 WMAXQWAZCZVYHK-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCOC[C@H]1C 1258231156 JCRAKJGVTNUGAQ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CC1(CC(=O)N2C[C@@H](C)CCC[C@H]2C)CCCCC1 1265248654 DSAGPFJJVQMRKM-JKSUJKDBSA-N 277.452 4.550 30 10 CJEE CCCCCCCCCCN1CCOC2(CCCC2)C1 1307527443 KBNIMAYTFIHQKD-UHFFFAOYSA-N 281.484 4.772 30 10 CJEE C=CCOc1cccc(CNC[C@@H]2CCCC[C@H]2CC)c1 1308422723 OMNQVNRMUQOSMV-MSOLQXFVSA-N 287.447 4.557 30 10 CJEE C=CCC1(CNC[C@H](C)c2ccc(C)cc2)CCCC1 1308762955 JLHOOQLCGDYAFQ-KRWDZBQOSA-N 271.448 4.825 30 10 CJEE C#C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1 1308795116 FEQNWXYIKMSKPM-RHSMWYFYSA-N 289.850 4.820 30 10 CJEE C#Cc1cccc(NC(=O)c2ccccc2CC(C)(C)C)c1 1357413584 WGGCIRCARZHITO-UHFFFAOYSA-N 291.394 4.509 30 10 CJEE C=CCCC(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 1435107481 AHVVZEUBBHNWLX-KNBMTAEXSA-N 299.458 4.945 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCCC3(CC3)C2)CCCC1(C)C 1436083633 KKVXUARVINHGIH-CVEARBPZSA-N 289.463 4.550 30 10 CJEE C=C[C@H](C(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 1450403828 DPYRIWWOJSKCQS-IBGZPJMESA-N 291.394 4.862 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 1456801774 NEONGXANLYTFDL-LPHOPBHVSA-N 299.458 4.897 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CC(C)C)c1ccccc1 1460379310 SJMJOXCCOFPLAD-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2c(F)cccc2F)o1 1461466235 VWJDEZDTTLLTNM-LBPRGKRZSA-N 291.341 4.669 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(Cl)c(OC)c(OC)c2)C1 1462385809 DSLRWOXIHKPKRJ-RYUDHWBXSA-N 295.810 4.514 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(C(F)F)cc1 1467385495 SGTJWFJDSSIADA-UHFFFAOYSA-N 296.361 4.738 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 1467474508 CCDRTRHQYKJLLX-DNUAJFIVSA-N 298.430 4.666 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)cc1F 1473443825 KRAPZYBKMWUFLN-UHFFFAOYSA-N 287.353 4.543 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Cl)cc1OC(F)F 1474416457 DQXOBPMJAZCDSR-VIFPVBQESA-N 275.726 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1CCC(F)(F)CC1 1474623094 HAAKCSUKTFWYIM-BMFZPTHFSA-N 285.422 4.925 30 10 CJEE C=CCCCCCCCNC(=O)[C@H](C)c1ccccc1C 1527549843 SRADJKQHUAWSJW-QGZVFWFLSA-N 287.447 4.741 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@@H](C)C1CCCCC1 1530308582 CZTKINQHSFEUEW-MRXNPFEDSA-N 279.468 4.798 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H](C)c2ccccc2Cl)CC1 1533066209 ZTIPFCDFDISRCR-CYBMUJFWSA-N 291.822 4.606 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C3CCC3)c2)CCC1 1534438162 AVLINAGOVAMGAH-UHFFFAOYSA-N 269.388 4.639 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(Cl)c2occc12 1537364147 MAZXSBHPFOFWFP-UHFFFAOYSA-N 291.778 4.515 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 1538139058 GVDRPJVZIROMKB-HLLBOEOZSA-N 285.431 4.816 30 10 CJEE C=C[C@H](OC(=O)c1coc2c(C)cccc12)c1ccccc1 1538944258 ZAAYULHCHDUXBC-KRWDZBQOSA-N 292.334 4.825 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC(C)(C)Sc2ccccc21 1543849481 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30 10 CJEE N#CCc1ccc(OCCCCCCCC2CC2)cc1 2239345835 RHSIYRYFYDCBBL-UHFFFAOYSA-N 271.404 4.882 30 10 CJEE CCCCCCCOCC1(CNC(C)C)CCCCC1 2239376708 NZVZYOBQNWCJJF-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccsc1CNCCC 2239481684 JNOHUSAOMGNZPK-INIZCTEOSA-N 295.492 4.899 30 10 CJEE C=C[C@H](CC)OC[C@H](NCCC)c1cc(F)cc(Cl)c1 2239489242 GWLFJTRJNKVMFA-CVEARBPZSA-N 299.817 4.501 30 10 CJEE CN[C@H](CC#Cc1ccc(Cl)cc1)CC1CCCCC1 2239489246 GXWYHPWCMLGYEL-GOSISDBHSA-N 289.850 4.640 30 10 CJEE C=C[C@H](CC)OC[C@@H](NCCC)c1ccc(F)cc1Cl 2239491043 XEAPWPPKBPCWLK-CZUORRHYSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCCOC[C@@H]1C[C@H]1CNC(C)C 2239502861 OZLMRKTZOSHVFQ-ROUUACIJSA-N 283.500 4.778 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)C(C)(CC)CC 2239560687 DYXRWDGUACRTKJ-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE CCCC[C@@H](C)[C@H](C#Cc1ccc(Cl)cc1)NCCC 2239568652 LSLSKQZNVPSJQX-QAPCUYQASA-N 291.866 4.886 30 10 CJEE Cc1ccc(C#CC(=O)[C@H]2CCCC(C)(C)CC2)cc1 2239725889 MXZBHOKORRKFEE-KRWDZBQOSA-N 268.400 4.522 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)[C@@H](C)CCC(C)C 2240638303 SGYKBSAXNSWFLY-BZSNNMDCSA-N 285.516 4.888 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@H](C)C(C)C)NC 2240654063 NKPTWPDIQVJWFG-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE C=CCCC[C@@H](NCC)[C@](C)(O)CCCCCCCC 2240667634 YFVALPVKCKZECW-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCSc1cc(C)cc(Br)c1C=O 2244585037 ZXICUXVNSJVERG-UHFFFAOYSA-N 299.233 4.628 30 10 CJEE C[C@H]1C[C@@H]1CCCCOCCCCC(C)(C)C#N 2256691214 CPIUUTZTLTVHOW-GJZGRUSLSA-N 251.414 4.549 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)CCC[C@H](CC)C1 2259236892 ICFJGWGDZYYBIP-GOEBONIOSA-N 252.398 4.794 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@H](CC#N)O1 2263668739 BJGXTPXZHVSFFB-CVEARBPZSA-N 251.414 4.978 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC1(C)C)NN 2266328246 INHNKVWEXBBEKP-JKSUJKDBSA-N 268.489 4.785 30 10 CJEE N#C[C@]1(CC2=CCCCC2)CCCc2ccccc21 2266445921 BCTJXUPHIYFTSH-GOSISDBHSA-N 251.373 4.675 30 10 CJEE C[C@H]1CCC(C)(C)C[C@]1(O)CC=CC#CC(C)(C)C 2268728306 MTYRPBOEAPWAFK-MAUKXSAKSA-N 262.437 4.560 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C#N)CCOCC1(C)C 2269480645 KCDPGRMONVTZGS-VYDXJSESSA-N 263.425 4.549 30 10 CJEE CCSc1cccc(SCCCCCOC)c1C#N 2271845411 RKXYFNWTJBQNLF-UHFFFAOYSA-N 295.473 4.579 30 10 CJEE COCCCCCCSC[C@H](CS)c1ccccc1 2271885063 CXLZUYQHBZNQJM-INIZCTEOSA-N 298.517 4.640 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2CC3(CC(F)C3)C2)C1 2272165551 GJGPIGKNBSODDC-VATXVYSQSA-N 266.400 4.690 30 10 CJEE CC(C)CCC[C@H](C)CCNCc1cc(C#N)cs1 2272310809 MXNOXUKQMMDEBP-AWEZNQCLSA-N 278.465 4.562 30 10 CJEE CC1(C)CC(Sc2ccc(C(F)(F)F)cc2C#N)C1 2273296965 VEXDOFIEAPLDNI-UHFFFAOYSA-N 285.334 4.858 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C(C)(C)C(C)(C)C 2274122765 RUPALHOXPMPMRO-INIZCTEOSA-N 263.469 4.621 30 10 CJEE N#CCc1ccc(CSCC23CCC(CC2)C3)cc1 2274349499 QLQSZHGLCVQRHD-UHFFFAOYSA-N 271.429 4.566 30 10 CJEE CCCC#CC[C@H](NC)c1sc(C(F)(F)F)cc1C 2277681109 RZGNMNWYQKEBMB-NSHDSACASA-N 289.366 4.529 30 10 CJEE C=C=CCCC(=O)[C@](C)(O)CCCCCCCCC 2278180963 PZAPZOSRISFNIV-QGZVFWFLSA-N 266.425 4.569 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCCOCC1 2278238999 LEWLXTRIQDAXLM-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CCCCCOCCCCCCCCCCCN 2278777963 LHXHHKLZBOJAMI-UHFFFAOYSA-N 269.473 4.829 30 10 CJEE CC#CCCCC[C@@H](C[C@@H]1CCCCC12CC2)NCC 2279611043 VVLWAUYSIPMYLC-ROUUACIJSA-N 275.480 4.909 30 10 CJEE Cc1cc(NCC[C@@H]2CCC[C@@H](C)C2)cc(C)c1C#N 2280573851 QJYQEMZRFVGRIH-CJNGLKHVSA-N 270.420 4.803 30 10 CJEE CC#CCCC[C@H](NCCC)c1cccc(OC)c1Cl 2283314450 GDRQGUNMUMMCMO-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)C[C@H]2CC[C@H]1C2 2283866398 KZALNXKHZZPWDR-BQFCYCMXSA-N 279.468 4.604 30 10 CJEE CCNC[C@@H]1CC[C@H](C)C[C@@H]1CC=CC#CC(C)(C)C 2284072147 BHUQNVNUSYOAHI-BZSNNMDCSA-N 275.480 4.644 30 10 CJEE CCCc1ccc(C#CCC=CC#CC(C)(C)C)cc1 2284088205 JAXSEFRLXAWYPE-UHFFFAOYSA-N 264.412 4.986 30 10 CJEE C=CCCCCCCCSc1c(C)ccnc1C(=O)O 2287078516 IALCJHGMNYIWMS-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=CCCSC[C@@H](NCC)c1cccc2ccccc12 2287186817 KHGIOSQJYQKBCD-GOSISDBHSA-N 285.456 4.800 30 10 CJEE C=CCCS[C@@H](c1ccccc1)[C@H](N)c1ccccc1 2287195674 RGUHAHIONKFEED-MSOLQXFVSA-N 283.440 4.737 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)C[C@H](C)O[C@@H]1C 2287467609 OSVUNMNZJRRXBL-LZLYRXPVSA-N 281.484 4.695 30 10 CJEE CCCCN(C[C@](C=O)(CC)CCC)C1CCCCC1 2287669039 FSBLCJWMAJQEEQ-SFHVURJKSA-N 281.484 4.817 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@@H](C)C1CCC(C)CC1 2287702608 GMRNRBPLUYUXEF-IKJBURDNSA-N 281.484 4.528 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cnc(C(C)C)s1 2289618544 CAIOMPCWARBXHL-OAHLLOKOSA-N 290.476 4.501 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CCCC12CC2 2289716736 XMXLMRYPRNUIMK-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC(C)(C)C1CCC(C(=O)CC#CC2CCCC2)CC1 2289905398 RRDWQCHFHRDYNG-UHFFFAOYSA-N 274.448 4.992 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1ccc(C2CCC2)cc1 2289924274 IULLRLIHHCDNOU-IBGZPJMESA-N 267.416 4.538 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCC(=O)O)C1CC1 2291308273 SVJMFCINCRDGAN-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@@H](OCC(=O)O)c1cc(C)ccc1Cl 2291477021 WPFMOQKKNPMBDD-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCN)C1CCC(C)CC1 2292779211 MRJAMRLCGLWQAL-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1[C@@H](C)[C@H]1C)OCCN 2293164277 CPXLQVQBNNUNSF-XMTFNYHQSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC1(OCCN)CC(C(C)(C)C)C1 2293369991 ZVQQGKPPOGVMLX-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE ClC(C=Nc1ccccc1)=CNc1ccccc1 2293394543 RUZFGJKXFPPZJN-UHFFFAOYSA-N 256.736 4.581 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCS[C@@H](C)C1 2294001039 RDGFJQICQNTNOM-DLBZAZTESA-N 299.524 4.533 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1CCC[C@H]1C 2294248075 FDGOENBZFVWTSY-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H]2CCC[C@H]21 2294360468 FQOFFYWAEVWLDT-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CC[C@@H](C)Sc1c([C@H](C)N)ccc(Cl)c1F 2298947793 JODFRQYDKKKOIR-BDAKNGLRSA-N 273.804 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)ccc1Cl 2304024619 MHXIWYGZIOFBRB-HUUCEWRRSA-N 251.801 4.641 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1cc(Cl)c(C(F)F)s1 2304582218 LJUHCVUNOWQSKG-OIBJUYFYSA-N 277.767 4.566 30 10 CJEE C=CCC[C@H](C)c1ccc(C(F)(F)F)cc1OC 2315318740 MQETVKBDQYYTTE-JTQLQIEISA-N 258.283 4.784 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C(C)(C)C(C)(C)C 2316739791 VKXUDINFPBNHOZ-OAHLLOKOSA-N 251.458 4.805 30 10 CJEE C=CCCC[C@H](NC)c1cc(C2CC2)ccc1Cl 2317153845 BTTUFTHXTRTOSB-INIZCTEOSA-N 263.812 4.834 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc2ccsc12 2321138901 VKYNMEYSSMEKER-CVEARBPZSA-N 259.418 4.894 30 10 CJEE CCN(CC)c1ccc(C=NNc2ccc(C)c(C)c2)cc1 2322922322 HFGXAQCDQLPDPG-UHFFFAOYSA-N 295.430 4.596 30 10 CJEE CC[C@H](CCC(C)C)N(C)C[C@@H](CS)CC(C)C 2328535307 VASZKSVULWUFLF-JKSUJKDBSA-N 273.530 4.725 30 10 CJEE SCC1(COC[C@@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1 2334879088 CSRUBCJJORNLOR-PMPSAXMXSA-N 282.493 4.710 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)OCCCN 2335010756 XTXULPAWCNMQNJ-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCN[C@@H](C#CC1CCC1)c1cc(Cl)c(Cl)cc1C 2337536551 FWBJVQAEPLISII-INIZCTEOSA-N 296.241 4.756 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2338733190 PTTLJIIRISLFTK-HPBDAGMYSA-N 262.437 4.722 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338748072 WLTAIZWAXZYLGE-AESZEHBQSA-N 260.421 4.908 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2341888667 LJNDUOPLMNIPEX-WCQYABFASA-N 289.728 4.586 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@H](CC2CC2)C2CC2)C1 2343925283 YFZFRAYGLFOZSL-MRXNPFEDSA-N 261.453 4.537 30 10 CJEE C=CCC(C)(C)[C@H](CC1[C@H]2CCCCC[C@H]12)NCC 2344335668 BNQYCTBMKCRXQH-ZOBUZTSGSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(F)c1F 2344335885 DMCZRRHJZYHDTK-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C)CC2(CCC2)C1)NCCC 2344336790 LQVXRMOQYRGUSE-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc2sncc2c1 2344371480 KNPKFWPNZSMFQF-CVEARBPZSA-N 274.433 4.549 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)CC1(CS)CC(C)(C)C1 2345007472 BJBVCDHDCFTQKD-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE N#Cc1ccccc1OCc1cc(F)c(Cl)cc1Cl 2349867038 GNSFXLUVQGPQPA-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCC(F)(F)C1 2352785321 HXHTXOUEVSBHBZ-AXFHLTTASA-N 281.268 4.684 30 10 CJEE CC[C@@H](CS)COCC1CCC(CC(F)(F)F)CC1 2353165811 FPLJDJAGEKTCGU-PNESKVBLSA-N 298.414 4.718 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)c1 2354149600 ZQECETSWOUZNGI-RYQLBKOJSA-N 268.404 4.638 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1OC[C@@H]2CCCC[C@@H]21 2358491834 OLAKVKASSLTRKH-OWSLCNJRSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1c(C)cc(C)cc1C 2360206715 ATXSDNAYCJHCBR-DLBZAZTESA-N 291.504 4.960 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)[C@H](C)CC1CCC1 2360317991 PFZGZNWAPIXMOA-NXHRZFHOSA-N 283.500 4.642 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 21499686 DBXHADWELHRMAU-CVEARBPZSA-N 256.393 4.575 30 10 CJEE C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 35256433 IGWSAPXGPHZUHW-WQANXHIZSA-N 282.431 4.568 30 10 CJEE CC[C@H]1CS/C(=N\c2ccccc2Oc2ccccc2)N1 35294469 PEUDMILWNXIRAU-ZDUSSCGKSA-N 298.411 4.581 30 10 CJEE N#CCc1ccc(-c2cccc(F)c2)c(C(F)(F)F)c1 47205220 BWLTUOSUWTWXTL-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1cc(C)c(OCC[C@](C)(C#N)c2ccccc2)cc1C 57687695 VJCDZLPAIZECEO-HXUWFJFHSA-N 293.410 4.862 30 10 CJEE CCc1cc([C@@H](C#N)Cc2ccccc2Cl)ccc1OC 57724257 WROYFSSVRXWCLP-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1N 59083409 DBNXUNKVOUJWKG-FHWLQOOXSA-N 289.463 4.637 30 10 CJEE C=CCCC[C@@H](NCCC)C(C)(C)c1ccc(F)cc1 69398854 KEBJHSUQCQHUQM-QGZVFWFLSA-N 277.427 4.828 30 10 CJEE Cc1cc(Cl)ccc1NC1CC(C#N)(c2ccccc2)C1 86036297 YZFBPOWBHWUYJY-UHFFFAOYSA-N 296.801 4.684 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC[C@@H]1CN 91323568 OCWPPMPOFBGDCR-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE Cc1ccc(C(C)C)c(OCC2(CS)CCC2)c1 94582764 XXWFAEVUZSWCBF-UHFFFAOYSA-N 264.434 4.597 30 10 CJEE Cc1cc(Cl)ccc1OC[C@H](CS)C(C)(C)C 94583129 RLOARNFUEVZANV-LLVKDONJSA-N 272.841 4.619 30 10 CJEE CCCCCCCCNCc1ccc(C)c(F)c1 106250765 PERJWGMZKOWTQE-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE CCCCCCCNCc1cc(Cl)ccc1C 106255827 AKBSLBBQTWDHSP-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1ccc(Cl)cc1 109780793 LIOLKAFIIKDMSS-MRXNPFEDSA-N 283.843 4.863 30 10 CJEE Cc1ccc(Sc2cc(Cl)ccc2C#N)c(C)c1 110354079 BDHZIIMJUMGULZ-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE Cc1ccccc1Sc1cc(Cl)ccc1C#N 110354268 UUQYKQQHJZJCNM-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)CCCO2 115860030 HXMBIQBZFPAKPJ-QGZVFWFLSA-N 276.420 4.796 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(OCC)c1 125241381 QGQMNCXSEKBVHC-GOSISDBHSA-N 292.467 4.730 30 10 CJEE CCCC1CCC(Nc2c(F)cc(C#N)cc2F)CC1 126976986 CFZUFZSZRSXELV-UHFFFAOYSA-N 278.346 4.607 30 10 CJEE N#Cc1ccccc1N[C@H]1CCCc2sc(Cl)cc21 127280896 PDQKIROCERJLOK-ZDUSSCGKSA-N 288.803 4.763 30 10 CJEE CCCCCCC[C@@H](N)[C@H](C)Oc1cccc(Cl)c1 139610199 HZTUVNZFTHBWGG-XJKSGUPXSA-N 283.843 4.795 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1CCOC2(CCCCC2)C1 148575142 NHZUASXUMCKIPG-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CCCCCCCOc1cc(F)cc(CNCCC)c1 157483037 KBWPIQDDNSZKPR-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCCCCCCCCCC[C@H](NC)C1CCOCC1 165041580 XYLPVQSTNSSDNX-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(SC)cc1 168208605 WTPPIZSNJKUPIF-OAHLLOKOSA-N 252.423 4.802 30 10 CJEE CC1CCC(c2nc3cc(C#N)ccc3n2C(C)C)CC1 168450491 QQXTVHBCBONVAV-UHFFFAOYSA-N 281.403 4.783 30 10 CJEE Cc1cccc(/C=C\C(=O)c2ccc(C)cc2C)c1 210649655 COKRFTWJMTZEQD-NTMALXAHSA-N 250.341 4.508 30 10 CJEE CCCCCCCCCc1nc([C@@H]2CCCCCN2)no1 228393875 XEVSDLMUAXXLAH-HNNXBMFYSA-N 293.455 4.567 30 10 CJEE C=CCCCCCNc1ccc(Cl)c(OC)c1 232200370 WAUQZNMTQIYPIA-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE CSc1ccccc1Nc1ccc(C#N)cc1Cl 232274689 GAVRYIMYQYGSKJ-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE C=CCCCCC[C@H]1CCC[C@H]1CNC(C)(C)C 232492636 LDRRWOYGNHORQM-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@H]1CNC(C)C 232961314 HHKYRXKMSIUCQQ-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@@H](C)CC2)c1C#N 235098546 NLWMCRHBHOCANN-CHWSQXEVSA-N 274.433 4.661 30 10 CJEE CC1(C)OB(C2=CC[C@H](C3CCCC3)CC2)OC1(C)C 307636092 TWMGTFRXDPKKOI-AWEZNQCLSA-N 276.229 4.535 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2cccc(Cl)c2)c1 308100653 GXNIZZIKJSRSLP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC1CCC(C#N)(CCCOCc2ccccc2)CC1 309860649 NCVBSBLQXNVZLX-UHFFFAOYSA-N 271.404 4.703 30 10 CJEE CCCCCCCCCNc1ccc(COC)cc1 311535324 ZDHILVSXFUDXSW-UHFFFAOYSA-N 263.425 4.996 30 10 CJEE C=CCCCCCCNc1ncccc1C(F)(F)F 312061245 IISOOCQJRFRVCS-UHFFFAOYSA-N 272.314 4.649 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N[C@H]1CCCC12CCCCC2 312973096 OOLZXNKBHXJJNV-ULQDDVLXSA-N 274.452 4.551 30 10 CJEE Cc1ccc(N[C@H]2CCCC23CCCCC3)c(C#N)c1 313012179 HOJQBCVPPLOAIW-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CCCCCCCOCc1ccsc1CNC(C)C 378693616 DAAJCGLNUMPIFT-UHFFFAOYSA-N 283.481 4.733 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2ccc(Cl)cc2Cl)O1 381255788 NUSQLPDSVGUMOE-KBPBESRZSA-N 284.186 4.691 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1cc(Cl)cc(Cl)c1 384935411 DKGHBWVXAAMHAV-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE C=C(C)CCN[C@H](C)c1cc(Cl)sc1Cl 386721654 SECNWWIZLOERDB-MRVPVSSYSA-N 264.221 4.672 30 10 CJEE C=CCCCCCOc1ccc(C)c(Br)c1 394796748 KKDMVJFPZQCIDW-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE CC(C)[C@@H](C#N)CNc1ccccc1-c1ccccc1 397518333 UHZGDZUGUZGLJS-INIZCTEOSA-N 264.372 4.561 30 10 CJEE CCCC1CCC(C=O)(CCC(F)(F)Cl)CC1 402767519 IJTCQVKBTRVCEU-UHFFFAOYSA-N 266.759 4.774 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc2c(c1)CCCC2 404539988 QPXSWNDQZNOTKJ-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE N#CCc1cc(Cl)ncc1-c1cc(Cl)cc(Cl)c1 514262835 QPOLVOJUTRHENB-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCCNc1cccc(Cl)c1Cl 686679419 ALGRSVBHSRATPL-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCCc2sccc21 686690562 BKGJRKKHNUWOJH-WBVHZDCISA-N 289.488 4.730 30 10 CJEE C#CCCCCC[C@H](NC)c1ccccc1C(F)(F)F 686698605 FCTDBMQNSLHYLK-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC[C@@H]1C(C)C 688030781 RRTNBIOMVBYDHE-IAGOWNOFSA-N 270.457 4.551 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CC12CCOCC2 690048104 HUXWANZQGJNJJN-SJORKVTESA-N 281.484 4.532 30 10 CJEE C=C[C@](C)(CNCCC)CC(C)(C)C(F)(F)CC 700738088 OSLBUUZLDLWRCM-AWEZNQCLSA-N 261.400 4.640 30 10 CJEE CCCCCCCn1c(S)nc2ccc(F)c(F)c21 703732143 ABRRXDIQTVGVJR-UHFFFAOYSA-N 284.375 4.574 30 10 CJEE C=CCCC(C)(C)CNc1ccc(N)cc1C(F)(F)F 703975698 YTIVDDOWHBFLGC-UHFFFAOYSA-N 286.341 4.692 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C 710674373 HIFCKDSTVZVFOY-WHOFXGATSA-N 257.849 4.570 30 10 CJEE CCCCCCCN1CCc2ccc(Br)cc21 713032198 QYJLMEHNDVLSTP-UHFFFAOYSA-N 296.252 4.782 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(F)c1 715767781 DYSXEUUBTHZNIQ-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cccc(Cl)c21 717655704 XQSRKHMNKFZOPV-UHFFFAOYSA-N 280.824 4.680 30 10 CJEE CCCCCCC[C@H](NN)c1cscc1C(F)F 720312966 HMCUVVGSPSZDQO-LBPRGKRZSA-N 276.396 4.551 30 10 CJEE C=C1CCC(CNc2ccc(Br)cc2F)CC1 724552850 DCTWQYCELUCKLV-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE CC(=O)c1cc(Cl)c(C)c(C#N)c1-c1ccc(F)cc1 725389010 JZEWOQTUXOTJFU-UHFFFAOYSA-N 287.721 4.529 30 10 CJEE C=CCCSCCN[C@H]1CC[C@H](C)c2ccccc21 829204620 ZSGCDSRKJLDFSA-YOEHRIQHSA-N 275.461 4.524 30 10 CJEE C=CCCC(=O)Oc1ccc([C@H](C)c2ccccc2)cc1 1125937811 WKLFHRBVMVZZHT-OAHLLOKOSA-N 280.367 4.710 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 1127523413 QIBOVHFMXWAFLH-QXAKKESOSA-N 299.458 4.506 30 10 CJEE C=CCCCC(=O)NCC1(c2ccc(C)cc2C)CCCC1 1129321314 RWPDBDMBHYHYLY-UHFFFAOYSA-N 299.458 4.588 30 10 CJEE C=C[C@H](OC(=O)c1cccc(C(F)F)c1)c1ccccc1 1131134510 LFGDNXRHCVNSCV-HNNXBMFYSA-N 288.293 4.708 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccccc1 1132948866 MGVXFTCZUVZYJN-QAPCUYQASA-N 285.431 4.636 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cccc(-c2ccoc2)c1 1133174043 SUGJQRVDEOWLKY-UHFFFAOYSA-N 297.398 4.669 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H](CC)C(C)C)c1 1134627143 YVOXHSYGGXTZRN-CQSZACIVSA-N 259.393 4.731 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1CCC1CCCC1 1150805654 FBXVNCJJCQRPCN-QGZVFWFLSA-N 277.452 4.550 30 10 CJEE C=C(Cl)CN(CCCCCC)Cc1ccc(C)o1 1176322506 KIMCZJSXDWBNSU-UHFFFAOYSA-N 269.816 4.723 30 10 CJEE Cc1ccc(C#N)cc1NCc1ccc(-c2ccccc2)o1 1178900406 CKHVKBLJNBWSLB-UHFFFAOYSA-N 288.350 4.739 30 10 CJEE C=CCCC(C)(C)CNCc1c(Cl)cccc1CC 1179324471 BFIWKDMYYSNRGX-UHFFFAOYSA-N 279.855 4.984 30 10 CJEE C=CCOc1cccc(CN[C@H](C)c2ccc(F)cc2C)c1 1179541378 KTMLJSFTKBBNGL-OAHLLOKOSA-N 299.389 4.550 30 10 CJEE C=CCC1(N[C@H](C)c2nccc3ccccc23)CCCC1 1182902403 MEKBESHSRICJGN-OAHLLOKOSA-N 280.415 4.774 30 10 CJEE C=CCCCCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C 1197421142 KKPSCYTVEJWMAI-HNNXBMFYSA-N 293.401 4.889 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)C(CC)CC 1264510443 QGGWUCOWJJDACW-HNAYVOBHSA-N 287.447 4.882 30 10 CJEE C#C[C@H](NC(=O)C[C@H](C)CCCCCCCC)C(C)(C)C 1275502578 KIICOBFOKKHTHL-SJORKVTESA-N 293.495 4.927 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)[C@@H](C)C(C)(C)C 1353387603 VFDLVNFBRLUQBL-HZPDHXFCSA-N 293.495 4.900 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C(C)C)c2)CCCC1 1353627012 HARUMGOMAHBZLG-UHFFFAOYSA-N 271.404 4.885 30 10 CJEE C=CCC[C@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 1357218367 BYRKRQYZGUOEHP-INIZCTEOSA-N 287.378 4.608 30 10 CJEE C=C[C@H](OC(=O)c1cc(C)c(F)c(C)c1)c1ccccc1 1437641804 QWKKVXCJLAHEBM-INIZCTEOSA-N 284.330 4.527 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1437642942 UIGYFXLCJSHHOP-SRABZTEZSA-N 272.388 4.529 30 10 CJEE C#C[C@H]1CC[C@H](NCC2CCC3(CCCCC3)CC2)CC1 1462551980 BWRICKNVCAIHAZ-UAPYVXQJSA-N 287.491 4.909 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(NC2CCCC2)c1 1470575230 AYJQGMQJNGEJJU-CQSZACIVSA-N 286.419 4.582 30 10 CJEE C#Cc1cccc(N(CC)CC/C=C/c2ccccc2)c1 1473280034 WHQYBFHUERTMGV-MDWZMJQESA-N 275.395 4.598 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2ccc3c(c2)CCC3)C1 1473627458 KNJAKIPDNZOVOX-CVEARBPZSA-N 269.432 4.524 30 10 CJEE C=CC[C@H]1CC[C@@H](NC2CCC(C3CCC3)CC2)C1 1474215249 QYDKRGQUGTYMLJ-IWCVFHTOSA-N 261.453 4.680 30 10 CJEE C=CCC1(NC(=O)Cc2c(C)cc(C)cc2C)CCCCC1 1526048901 GNJQPANVNMQELF-UHFFFAOYSA-N 299.458 4.550 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)c(F)c(C)c1 1527924457 RQLWMBLSWPCRSX-UHFFFAOYSA-N 291.410 4.699 30 10 CJEE C#CCC1(C(=O)OCc2cccc(C(C)C)c2)CCCCC1 1532134553 HIWYBVMARCUJHP-UHFFFAOYSA-N 298.426 4.827 30 10 CJEE C#CCC1(C(=O)O[C@H](CC)c2ccccc2)CCCCC1 1535829432 MCGWRGNKBWIWQG-QGZVFWFLSA-N 284.399 4.655 30 10 CJEE C=C[C@H](O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1536113252 AHGXIPRZNDNOKT-HNNXBMFYSA-N 278.273 4.592 30 10 CJEE C=CCCCCCN1CCc2ccccc2C(C)(C)C1 1559990244 KGNIAHGSABNMHS-UHFFFAOYSA-N 271.448 4.569 30 10 CJEE C=CC[C@@H]1CCN1Cc1c(CC)ccc2ccccc12 1560208181 YDTBKMKNROKVDL-QGZVFWFLSA-N 265.400 4.553 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CCOC3(CCCC3)C2)c1 1561038941 FHVFHRALAGHFSX-QGZVFWFLSA-N 271.404 4.623 30 10 CJEE C=CCCCCCCCNC(=O)[C@H](C)c1ccccc1F 1583102906 GMFNUWOKVOLCMX-OAHLLOKOSA-N 291.410 4.572 30 10 CJEE C=C[C@H](CC(=O)OCc1ccc(C)cc1C)c1ccccc1 1585277344 PRNYUTIIXGKGAO-QGZVFWFLSA-N 294.394 4.707 30 10 CJEE C=C(CC)C(=O)N(Cc1ccccc1Cl)C1CCCC1 1585524563 GDEZHYFJIKEKRI-UHFFFAOYSA-N 291.822 4.577 30 10 CJEE C=CCCC[C@H](N[C@H](C)[C@H]1CCCCO1)c1ccccc1 1621499784 LIOUEVKPIBMQLD-NZSAHSFTSA-N 287.447 4.631 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@H](C/C=C\C)C1)c1ccccc1 1631189978 YAFYVDKBSCRORJ-HWTQTHBUSA-N 297.442 4.551 30 10 CJEE C=CCC1(C(=O)Nc2cc3[nH]ccc3cc2C)CCCCC1 1634186254 ZBXZYIZUSKPOGV-UHFFFAOYSA-N 296.414 4.941 30 10 CJEE C#CC[C@@H](Nc1nc2ccc(F)cc2s1)c1ccccc1 1639664454 HDMVMATVODOBPZ-CQSZACIVSA-N 296.370 4.612 30 10 CJEE C=C(C)CSc1nnc(Nc2ccc(C)c(C)c2)s1 1651599198 BQHNYHLBNMAVQG-UHFFFAOYSA-N 291.445 4.567 30 10 CJEE C=C[C@@H](C)Nc1nc(C)nc2scc(-c3ccccc3)c12 1651639056 WNCTUTFGYWFMJH-LLVKDONJSA-N 295.411 4.653 30 10 CJEE C=CCN(Cc1nccc2c1CCCC2)CC1CCCCC1 1657514538 UTNJLYYWYDXMLY-UHFFFAOYSA-N 298.474 4.529 30 10 CJEE C=CCCCNCc1ccccc1-c1ccccc1C 1657898737 AGXHYONQHSYKDH-UHFFFAOYSA-N 265.400 4.718 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCCC(C)(C)C1 1658119395 JMOAHNLQXBMYPW-RBUKOAKNSA-N 285.475 4.980 30 10 CJEE C=CC(C)(C)CCCNCC1C2CC3CC(C2)CC1C3 1658544819 BRETWQATMXLCJY-UHFFFAOYSA-N 275.480 4.641 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1 1658756713 IACQCHSMWBGOIA-QINHECLXSA-N 283.459 4.961 30 10 CJEE C=CCCN1CC[C@H](c2ccccc2)c2ccccc21 1659736509 IXQGRXUBNSLUSL-QGZVFWFLSA-N 263.384 4.605 30 10 CJEE C=CCCC1(CNCCCCC(C)C)CCCC1 1660263667 UFPWPMGZEKTNGA-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=CCCCC[C@@H](C)NCc1cccc(CSC)c1 1664368871 IXJYLFJGTPXZHA-OAHLLOKOSA-N 277.477 4.774 30 10 CJEE C=CC[C@@H]1N(C(=O)NCCCCCCC)CCCC1(C)C 1684057510 GBMVIPIXRDZUBB-INIZCTEOSA-N 294.483 4.733 30 10 CJEE CCCCCCCCCCC(=O)C12CC(C1)[C@H](C)O2 1878390464 YXMCHDXPXHBSTI-UQPPLGOBSA-N 266.425 4.654 30 10 CJEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CCC1 1878559365 SCUUITJPTWOKQT-HOTGVXAUSA-N 296.241 4.836 30 10 CJEE CC#CCCCC[C@H](NCC)C12CCC(CC1)CC2 1885237529 RARAMKNIJHQXOR-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE C#CC[C@H](C)C[C@@H]1CCCCC[C@H]1CNC(C)(C)C 1887487297 AFTHNZSHWZTZNV-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)Nc1cc(F)ccc1Br 1900968637 ZHVVWXBEBLQXEG-UHFFFAOYSA-N 284.172 4.521 30 10 CJEE CC1CCC(C=O)(CCC=Cc2ccccc2)CC1 1912104129 APKWQQZKUDMKID-UHFFFAOYSA-N 256.389 4.875 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(F)cc(F)c1F 1919522195 HEMDXCDXRGYVRS-HNNXBMFYSA-N 273.342 4.638 30 10 CJEE CC1CC(CC(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 1925120651 UTDKJGAJWNDLIQ-RTYFJBAXSA-N 296.197 4.606 30 10 CJEE CCC(C)(C)c1ccc(OC[C@@H](C#N)C(C)C)cc1 1925866580 DMGKZTPOFPEOPY-CQSZACIVSA-N 259.393 4.549 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1scc(Cl)c1Cl 1958106389 PTXVZTKIQVDTJR-OIBJUYFYSA-N 265.205 4.691 30 10 CJEE C=C(C)CCCNC(c1ccccc1)c1ccccc1 1962785649 IIRNOMKIVWVLCG-UHFFFAOYSA-N 265.400 4.722 30 10 CJEE CC[C@H](CNc1ccc(C(F)(F)F)cc1C#N)C(C)C 1973383999 ISBYBVYITDUCHY-LLVKDONJSA-N 284.325 4.671 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc(Cl)s1 1978637649 MGSMVNMCWVFVAT-ZDUSSCGKSA-N 258.814 4.730 30 10 CJEE C=CC1(CNc2ccc(Br)c(C)c2)CCC1 1980021510 FLSDUUHQADTSJD-UHFFFAOYSA-N 280.209 4.526 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccc(C)c(Br)c1 1996465773 CZIDWFOCVXPTAI-WFASDCNBSA-N 296.252 4.620 30 10 CJEE CCCCCCCCNCc1snc(Cl)c1Cl 2002142358 PWCUKMDTMMQZBG-UHFFFAOYSA-N 295.279 4.900 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cc(C(F)F)cs1 2008247885 YAAZLRSMFIKLJL-BXKDBHETSA-N 259.365 4.549 30 10 CJEE C#C[C@H](N[C@@H](C)c1cc(Cl)sc1Cl)C1CCC1 2013447105 BNLCKZIERXSIAE-KWQFWETISA-N 288.243 4.507 30 10 CJEE CCCCC#CC[C@@H](N)c1ccc(Cl)c(Cl)c1 2024357308 UBVFKVDCVOINJC-CQSZACIVSA-N 270.203 4.577 30 10 CJEE C=C1CC(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 2029670939 ZICBAFGFPLTQPT-SECBINFHSA-N 288.193 4.749 30 10 CJEE C#CCCCCC[C@@H](N)c1cc2sc(C)cc2s1 2038894652 FVXMVPFLJVAVFP-GFCCVEGCSA-N 277.458 4.855 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ncc(Cl)cc1Cl 2040528905 GXFVQGHIGLVHMH-GWCFXTLKSA-N 287.234 4.641 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cc(C)nc(Cl)c1 2045994252 UIFRGOZTBRFPHB-HNNXBMFYSA-N 264.800 4.696 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)C1CCC(CC)CC1 2049410816 CENSCNAJTJBPRL-XNIRIUNOSA-N 251.458 4.926 30 10 CJEE C#CCCCCC[C@](C)(O)[C@H]1CCCC(C)(C)C1 2049538822 CDPFSLTWESQJEH-RDJZCZTQSA-N 250.426 4.538 30 10 CJEE 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CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCC(C)(C)C2)C1 2083038894 PBOZTIDMTNPTMS-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CCCCCC#CC[C@](O)(CCC)[C@@H]1CC1(C)C 2083397982 VPSUCTADSVXUQF-NVXWUHKLSA-N 250.426 4.538 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1ccoc1Cl 2083448966 VZKZWWTTXJMYTH-CQSZACIVSA-N 267.800 4.557 30 10 CJEE C=CCCCCCC[C@@H](N)C1(C(F)(F)F)CCC1 2085846743 JAAQWYVNOLVBAC-GFCCVEGCSA-N 263.347 4.573 30 10 CJEE C=CCCCCCCCC[C@H](O)C1(CCF)CC1 2086278200 FQCSOQCQGXMAGE-HNNXBMFYSA-N 256.405 4.794 30 10 CJEE CCCCCCC[C@]1(CNCCC)CCCOCC1 2089044823 KRWODYHMGDPXOT-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccccc1CC(C)C 2089366607 RYWXKGPENDLWQS-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C=C1CC(CN[C@@H](CC(C)(C)C)c2ccccc2)C1 2090146923 WEADZISCQJPXRF-KRWDZBQOSA-N 257.421 4.720 30 10 CJEE CCC[C@]1(C)CSC(=N[C@@H](c2cccs2)C(C)C)N1 2090410732 BAWABECYKKFXEW-UKRRQHHQSA-N 296.505 4.696 30 10 CJEE C=CCCC(C)(C)NC[C@@H]1CCCC[C@H]1C(F)(F)F 2092649069 CKCVVDFRGYQITM-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE 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2221118361 YIUFXBNKFBOQID-HNNXBMFYSA-N 268.470 4.620 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]2C[C@@H]12 2223855777 WFRVIWVJXLCFHO-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE C=CC1(CN2CCCC23CCC(C)(C)CC3)CCC1 2224831752 CANXBPITQQYIGR-UHFFFAOYSA-N 261.453 4.778 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)CCCCCCC1CC1 2225716330 TXIFXXHWDHFFSB-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1scc(C)c1C 2225887083 UNUJMTOAQODVPO-MRXNPFEDSA-N 277.477 4.989 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@](C)(CC)OCC 2227270207 DBLAJNFBPFKCBW-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CC[C@@](C)(NCc1sc(C)c(C)c1C)C(F)(F)F 2228579624 AWQJHWPRYLTMOY-CYBMUJFWSA-N 291.382 4.660 30 10 CJEE C=C(c1ccccc1)[C@]1(N)CCC[C@H](C(C)(C)C)C1 2229834214 VYLVEQCPVLOANS-WMZOPIPTSA-N 257.421 4.634 30 10 CJEE C=CCCC[C@H](C)NC[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230666598 QUOQBXBPHPBFSP-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCOCC[C@H]1CC[C@H](C)CN1 2231014753 MQXCUKMSPQAZAD-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc2ccoc12 2232397934 DLCTTXZPYOUXET-CZUORRHYSA-N 257.377 4.686 30 10 CJEE CCCCCCCCCC[C@H]1CNc2c(ncn2C)C1 2232863279 ZQJAACGNUNLNAE-OAHLLOKOSA-N 277.456 4.535 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1snnc1CCC 2235527440 VMZMLLVDMRTVFI-CQSZACIVSA-N 295.496 4.668 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(C(F)(F)F)c1C 2235933445 JWRGTKUWVRTQBG-IAQYHMDHSA-N 285.353 4.877 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@@H](C)CNC1CCC1 2239450691 XGURARHQGAKFHI-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOc1ccc(N)cc1COC 2239457969 XERUTWUGMCGZGH-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE CCCCCCCCCO[C@@](C)(C(=O)O)C1CCCC1 2239466386 AWPYUGMIKFWKEW-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CC(C)(C)[C@H](CC(=O)C#Cc1ccc(Cl)cc1)C(F)F 2239474790 YOTFURHQXALLKH-CQSZACIVSA-N 298.760 4.578 30 10 CJEE CCCCCCCCCCCOc1csc(C(=O)O)n1 2239499416 MNRWTRUXDVTMAO-UHFFFAOYSA-N 299.436 4.751 30 10 CJEE CCCCCCCCCCCOC[C@@H](C(=O)O)C(C)C 2239547966 IEYKWNDQJGHKJC-MRXNPFEDSA-N 286.456 4.891 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)C(C)(C)C(C)(C)C 2239558047 BPZVXXMKPNLLSL-MRXNPFEDSA-N 291.866 4.742 30 10 CJEE CCCCCCCC[C@]1(C)CC[C@](C)(CNC2CC2)O1 2240622566 VGQOYEYAJNKZDY-QZTJIDSGSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC2(CCCC2)O1 2240642078 IRPNKTYZUQMAHL-SJORKVTESA-N 281.484 4.817 30 10 CJEE N#CC1(c2cccc(Br)c2)CCCCCCC1 2252621651 VWKYQJYMGLWEMK-UHFFFAOYSA-N 292.220 4.955 30 10 CJEE Cc1ccc(C#N)c(SCC2CC3(CCC3)C2)c1 2256473688 KSTPMDBJJBQZPU-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE C[C@@H]1CCN(CCCCCCCCCS)C1(C)C 2258835920 NFPWXJPPMAIVHW-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE C=CCCS[C@@H]1CCCCCCC[C@H]1NCCC 2259045220 KPVRWEOLZPSSDS-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=CCCCCCCCSCC[C@H]1CCC[C@@H]1N 2259058648 KCWMLRDHUIFBNB-CVEARBPZSA-N 269.498 4.764 30 10 CJEE C=CCCS[C@H]1CCCCC(C)(C)[C@@H]1NCCC 2259062902 WXDCFPQTIMCLOD-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE CCCCCCC[C@](C)(CCCC)OCCCN 2262532407 FILHOCLHZKFOOS-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C[C@]12CCC[C@@H]1N(CCCCCCCS)CCC2 2263208140 QMGOWMICVWPPMB-JKSUJKDBSA-N 269.498 4.521 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)CCCCCCCCC 2263718715 UFOWCKCJTNHVEF-DLBZAZTESA-N 251.458 4.907 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ncc(C(C)(F)F)s2)C1 2264610482 VUEAORSVIVLSGX-YGRLFVJLSA-N 284.375 4.616 30 10 CJEE C=C1C[C@@H]1C[C@H](C[C@@H]1CCCCC12CC2)NCCC 2264901334 AOTJEUVOPMMYAX-IXDOHACOSA-N 261.453 4.681 30 10 CJEE N#Cc1ccc(Cl)cc1OCC1CC2(CCCC2)C1 2265224298 ARXRUXYJMIDKSH-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE CC1(C)CC[C@H]1C[C@@]1(C#N)CCCc2ccccc21 2266263724 MIJHZXWALKSIEF-MAUKXSAKSA-N 253.389 4.611 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCC12CC2)NN 2266703218 PDCBWJGOQCKLDZ-JKSUJKDBSA-N 266.473 4.539 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CCCCC[C@@H]1C[C@H]1C 2269466909 GMFQFCRRYRBBSM-TVFCKZIOSA-N 261.453 4.776 30 10 CJEE C#C[C@](CC)(CC1CCCCC1)N1CCCCCC1 2270467779 BREQEGLKOJFJJX-SFHVURJKSA-N 261.453 4.615 30 10 CJEE C[Si](C)(C)CC1CC(Nc2ccc(Cl)c(C#N)c2)C1 2270769571 IUSXHXHELMTCPZ-UHFFFAOYSA-N 292.886 4.740 30 10 CJEE CC1(C)C[C@@]1(C#N)CCCCCCCCCCCO 2271233188 XUNBFRZJUOTZLT-QGZVFWFLSA-N 265.441 4.820 30 10 CJEE CCCCCCCCC[C@H](CC1(C)CC1)OCCN 2277338265 FGYITRXPBXYESG-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCN=c1ccc2cccc(Cl)c2[nH]1 2277673584 ANURKEDBQPWJDY-UHFFFAOYSA-N 276.811 4.692 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@](C)(CC)O1 2278237660 QKUWGKIDEBLRIR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](O)CC(C)C 2278240603 PSPCRMMZQHEBEY-DLBZAZTESA-N 271.489 4.512 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2c(C)c(F)c(C)cc21 2279136701 GWLDMEBBRUEOAW-NSHDSACASA-N 292.423 4.998 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C#N)CCCC(C)(C)C2=O)C1 2279806611 ITIOCGXXGBDMJG-RKVPGOIHSA-N 275.436 4.882 30 10 CJEE Cc1cc(NC[C@@H](C)C2CCCCC2)cc(C)c1C#N 2280574481 YBTXDQRYIMFUBB-OAHLLOKOSA-N 270.420 4.803 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](C)CC(F)(F)F 2284071802 XHDHVXJVKUGOKM-UONOGXRCSA-N 289.385 4.549 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@H]1CCCCC12CCC2 2284091894 JSPVXZCIVORMTR-IAGOWNOFSA-N 274.448 4.704 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ncoc1C1CCC1 2287412916 GOZGFOYGPKCEGK-HNNXBMFYSA-N 276.424 4.729 30 10 CJEE C=CCC(C)(C)COCC[C@@H]1CCCC[C@H]1NCCC 2288877948 VJEASUNLMMAOJJ-DLBZAZTESA-N 281.484 4.554 30 10 CJEE CSc1cccc(NC[C@]23CCCC[C@H]2CC3)c1C#N 2288991958 MLWGWOBYPYMTPA-SUMWQHHRSA-N 286.444 4.662 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CC[C@@H](CC)C1 2289701934 AIGNEWVDKVWZJB-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)cc1C 2289711676 LPTBFKPASLPMND-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CC(C)(C)c1cccc(C(=O)C#CC2CCCCC2)c1 2289759124 BXWYSFVEZNZYSI-UHFFFAOYSA-N 268.400 4.751 30 10 CJEE CC(C)(C)CC1CC(COc2ccc(C#N)c(F)c2)C1 2290046516 SPQKLCARNSTJOT-UHFFFAOYSA-N 275.367 4.539 30 10 CJEE C=CC1(C[C@@H](CCCCCCC)OCC(=O)O)CCC1 2290707923 ILBDTXODCFGALT-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCC[C@@H]1CCC 2291485758 TZIIOLUYKHYHTI-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](CC1CC(C)C1)OCCC(=O)O 2291611673 YTJBAYFGJGTTGX-GPANFISMSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1ccc(C)o1 2292640241 AJGHNHPXCULVIA-MRXNPFEDSA-N 279.424 4.521 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C1CCC1)OCCCN 2292903447 QLYCINMGTBKTOM-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@](CC)(CCCCC)OCCN)CC1 2292906385 OWSCBKJRDYHCNJ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1CCC(C)CC1 2293058556 DXLKTKHPSSLFKV-DAWZGUTISA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1ccc(C)o1 2293453653 ARNUAJYIJUVMQG-INIZCTEOSA-N 281.440 4.745 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)C=CCCC1 2293994164 KAZMTCSTGODAOR-SFHVURJKSA-N 279.468 4.747 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1CC=CCC1 2294462698 ZQDCQMBPAIPWGI-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCC[C@@](C)(C[C@H](C)C1CCCCC1)OCCCN 2294598628 VZDZYLQIRUDCCP-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1coc(C)c1 2295598422 GZPOKGYBJCTOPK-QGZVFWFLSA-N 280.408 4.662 30 10 CJEE CCc1csc(SC[C@](C)(CS)C(C)(C)C)n1 2307092929 HCENVMDHIPBHRC-ZDUSSCGKSA-N 289.535 4.780 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2311518209 HXJUGOHPJKPRIQ-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)Sc1ccccc1[C@H](C)NC 2313689578 QGPXTTMJYZZDPY-ZDUSSCGKSA-N 261.434 4.580 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(COC)s1 2315087651 HWHQYGVSNTXEJK-AWEZNQCLSA-N 269.454 4.516 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cc(C)c(Cl)s1 2315794626 PUESEBQVFRQFOD-ZDUSSCGKSA-N 281.852 4.554 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](CC)CC(C)C 2316751178 AVUKWNLJIHXOAK-RDJZCZTQSA-N 251.458 4.805 30 10 CJEE CCC#CC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2325218233 MNZSQAOTLQENSK-AWEZNQCLSA-N 288.193 4.587 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2327692115 LBCRETBHNMIQRL-NDBYEHHHSA-N 259.315 4.685 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1OCC[C@@H]1C 2335075970 PPVVUVBWCGKLTE-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1ccc(C(C)C)cc1 2335103093 HCPOLNGVQAVNIP-PBHICJAKSA-N 277.477 4.768 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CC(C)(C)CC(C)(C)C1 2337111075 IFRDERQUWYAMAG-GDBMZVCRSA-N 263.469 4.926 30 10 CJEE CCCCCC1CCC([C@@H](O)C#CC2CCC2)CC1 2337508041 WHLRZPGZMBECFJ-ABHNRTSZSA-N 262.437 4.538 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(C(F)(F)F)cc1 2338691078 OFWREYNMJLRJKC-CQSZACIVSA-N 270.294 4.507 30 10 CJEE C#CCCCCCCN[C@H](C)c1cc(C)cc(Cl)c1 2338794640 FLOJSEUEFTVTKV-OAHLLOKOSA-N 277.839 4.883 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1ccc(F)c(Cl)c1 2339964375 NBIOQDOGADYOIP-NSHDSACASA-N 273.738 4.634 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)ccc1C1CC1 2341789292 PFSMLNRPOAFYKA-QGZVFWFLSA-N 261.384 4.839 30 10 CJEE CCc1cscc1N=C1NC2(CCCCCC2)CS1 2341920919 ZWDPPVKYPFZDCD-UHFFFAOYSA-N 294.489 4.727 30 10 CJEE CC(C)=C(C)C(=O)[C@H](c1ccccc1)C1CCCC1 2342367913 MAKZNLORWICICH-QGZVFWFLSA-N 256.389 4.886 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC12CCCC2)NCC 2344336543 JVVUGHKNGCFLPV-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CC2(CCC2)C1)NCC 2344339457 JJANHYWUPVSAMX-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(F)ccc1C 2344343570 OXFIYDQUKABNCI-DLBZAZTESA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)C(=O)OC(CC(C)C)CC(C)C 2344470032 XGXASWGSYFSOFD-KRWDZBQOSA-N 268.441 4.983 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC[C@H](CC(C)C)C1 2352035124 DDAJPKHCWZPIAB-SQWLQELKSA-N 284.465 4.744 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C(C)C)ccn1 2352777732 FQXSZWBJUUZVPQ-INIZCTEOSA-N 260.425 4.602 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@@]2(C#N)CCCOC2)c1Cl 2353187689 ZKDVPDREBQYTGD-XHDPSFHLSA-N 298.213 4.726 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1 2360206887 CXAXNEZVKHYPRP-GRDNDAEWSA-N 295.467 4.953 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@](C)(F)CC[C@@H]1NCCC 2360324865 SXEPWMHQNZADPW-GVDBMIGSSA-N 299.499 4.889 30 10 CJEE Clc1ccc(/N=C/c2ccccc2)cc1Cl 498907 XUTXYNASKXYQFK-CXUHLZMHSA-N 250.128 4.744 30 10 CJEE CCCCCCCCC(=O)NCc1ccc(Cl)cc1 1852905 QMAOGFLUSMZBCK-UHFFFAOYSA-N 281.827 4.707 30 10 CJEE N#CCCCCCn1c(-c2ccccc2)nc2ccccc21 43255834 YJKKIDZKFAGPCU-UHFFFAOYSA-N 289.382 4.787 30 10 CJEE CC[C@@H](CC#N)N[C@@H](CC)c1ccc(Cl)cc1Cl 54183425 MZWMXLNUXBGNOJ-FZMZJTMJSA-N 285.218 4.726 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc(Cl)c1Cl 54824547 DEEODYHLJGGMJW-CMPLNLGQSA-N 283.202 4.878 30 10 CJEE Cc1ccc([C@H](C#N)CCCOc2ccccc2C)cc1 57684766 HONBAOMKPLYYKN-SFHVURJKSA-N 279.383 4.770 30 10 CJEE N#C[C@@H](CCc1ccccc1)c1cccc(Cl)c1 57686046 SKRNLIYLTUDWPF-OAHLLOKOSA-N 255.748 4.580 30 10 CJEE COc1ccc(C[C@@H](C#N)c2cc(C)ccc2C)cc1Cl 57762891 RQKLUIPBKXHYDG-HNNXBMFYSA-N 299.801 4.815 30 10 CJEE CC(C)CSc1ccc(-c2csc(CC#N)n2)cc1 76541529 SRDQOFUNGLLQIL-UHFFFAOYSA-N 288.441 4.624 30 10 CJEE N#C[C@H](CNc1ccc(Cl)cc1Cl)c1ccccc1 80748398 KBVACHPPXQBASM-GFCCVEGCSA-N 291.181 4.713 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Sc1cccc(Cl)c1 93955901 AXQLRCWXSOTSBE-GWCFXTLKSA-N 251.782 4.514 30 10 CJEE CCCCCCOCC1(CS)CCCCCC1 94584042 UNDTXKCIAYNUNR-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE CC(C)(C)[C@@H](CS)COc1cc(Cl)cc(Cl)c1 94584807 JYUURRWKXNVDOD-SECBINFHSA-N 293.259 4.964 30 10 CJEE Cc1nc(CC2(C#N)CCC(C(C)C)CC2)sc1C 94981748 MKIIMOVCAMGWGX-UHFFFAOYSA-N 276.449 4.659 30 10 CJEE CCCCCCCCO[C@@H](c1sccc1C)[C@@H](C)N 103975280 ZEIAJYBXJDRTET-HUUCEWRRSA-N 283.481 4.822 30 10 CJEE C=CCn1c(C2CCCC2)nc(CCCCCCC)c1N 110057340 COTDSNWWNQGBFT-UHFFFAOYSA-N 289.467 4.822 30 10 CJEE C[C@@H]1C[C@@H](Oc2cc(Cl)ccc2C#N)CC(C)(C)C1 110261832 DCUFIOYSLTUCJK-BXUZGUMPSA-N 277.795 4.805 30 10 CJEE CCC1CCC(CNc2ccc(C#N)c(Cl)c2)CC1 110449787 DFJRFLCXRAOVAX-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CCCCCCCC[C@H](NCCC)C1CCOCC1 114997046 YHFGWQRKCZCUBP-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccccc1F 115858112 GRNFXTJPKAYLEV-HNNXBMFYSA-N 275.367 4.753 30 10 CJEE CC[C@@](C#N)(Cc1ccccc1)Nc1cccc(Cl)c1 116390432 FIVSLFBCFVSGDK-KRWDZBQOSA-N 284.790 4.667 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NCCC)C12CCCC2 117340009 RBXWEXVWJOTKAM-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](O)C1(N(C)C)CCCCC1 118180602 MXVVVIRZJCVJSM-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)N)cc1C 122571312 OAJFKYHBEQCDBP-OAHLLOKOSA-N 263.425 4.754 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)CCO[C@@H]1C 125575778 QCYKDWAKORWYSR-SJLPKXTDSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 129276846 RFSCGEAQLHTDAV-BBWFWOEESA-N 281.484 4.530 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](OCC)C1CC1 130162761 CZGGLOIGMNJVPJ-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(OC)CCCCC1 131001829 FLPYTFKGGGSSFC-KRWDZBQOSA-N 298.515 4.698 30 10 CJEE CCCCCCCCOc1cc(Cl)nc(CCC)n1 131089035 ZYGGKRIZRWMINK-UHFFFAOYSA-N 284.831 4.822 30 10 CJEE N#Cc1ccc(Nc2cccc3ccncc23)c(Cl)c1 131528555 JQOFTXRJFCDDIV-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1F)NC 134234922 RTTDHUUVBISPQD-HNNXBMFYSA-N 285.834 4.970 30 10 CJEE CSc1cccc(N(C)[C@@H](C)c2cccs2)c1C#N 136643082 RBYNFJKCRUUMPI-NSHDSACASA-N 288.441 4.539 30 10 CJEE CCCCCCCC[C@@H](NC)c1snnc1CCC 140274004 WHRZTUQWMAECJH-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCC1(C(=O)O)C[C@H]2C[C@@H]2C1 157001169 PFZDNZHAIVEXCC-ZIAGYGMSSA-N 252.398 4.628 30 10 CJEE CCCCCCCCN[C@@H](CC)c1ccccc1O 160848384 NSYHAGBDURZUOO-INIZCTEOSA-N 263.425 4.793 30 10 CJEE CCCCCCCCNc1ncc(Br)cc1C 161071493 CZVQSMUSYVJJMS-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE CC[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 163857200 AOJIZBPCVFUKJJ-AAEUAGOBSA-N 282.309 4.568 30 10 CJEE CC[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 163857452 AOJIZBPCVFUKJJ-WCQYABFASA-N 282.309 4.568 30 10 CJEE C=C(C)CCNc1ccc(Cl)cc1C(F)(F)F 164418527 PJPBFKSBCKUVPZ-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CCCCCCCC[C@@H](NCC)C(CC)(CC)OC 164555157 LMZLAUPGHJTWJA-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CC#CCC[C@H](NCC)C(CC)(CC)c1ccccc1 168136228 RSCCZSVKLBLBAY-SFHVURJKSA-N 271.448 4.526 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(F)c(F)c1F 168344798 UHYMHPFNPUACKX-CYBMUJFWSA-N 274.326 4.888 30 10 CJEE CCCCCCCCO[C@@H](CCC)CNC(C)(C)C 211432087 WYDHFDPXSQQXAN-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H]1CCCC[C@@H]1CNC1CC1 211849346 HZDPXKLVKDNSQV-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(C)ccc2/C(C)=N\O)C1 217224370 UCWDLBDQRUCLRL-GAKZUBPLSA-N 275.392 4.541 30 10 CJEE C=CCCC[C@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 219168429 URQZBLCYZMJAMQ-HRCADAONSA-N 251.458 4.783 30 10 CJEE C#CCCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 229640139 FIDCLTOSYNAFLC-SNVBAGLBSA-N 288.193 4.587 30 10 CJEE CCCCCCC[C@H](NC)c1cccc2ccncc12 232016549 LCCJYYWEYFELMC-SFHVURJKSA-N 270.420 4.856 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(OC(C)C)c1 232684938 NTHPKWFUDBJCMQ-KRWDZBQOSA-N 262.393 4.644 30 10 CJEE CCCCc1ccc(Oc2nccc(C#N)c2Cl)cc1 233038031 NQBCUKCTTRHURJ-UHFFFAOYSA-N 286.762 4.742 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H](C)CC)C1 233301809 ISYNGFZHMDJOLZ-YJNKXOJESA-N 253.455 4.874 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCc2ccccc21 250851378 LYJIALFRJTZKMO-ITQYTPKQSA-N 265.400 4.611 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@H](C)C1 300257641 OQKLUIGDNOUMLH-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccoc2C)C1 300439271 BBSNLYGVGAJORQ-VNHYZAJKSA-N 263.406 4.789 30 10 CJEE C=CCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307882256 MIRBTJQRYIYMTO-CYBMUJFWSA-N 259.176 4.557 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1Cl 308054044 KBOMAMPBLRXAJF-ZFWWWQNUSA-N 291.822 4.979 30 10 CJEE CC[C@@H](Nc1cc(C)cc(C#N)c1)c1ccc(F)cc1 308123346 RXMOMADBQWUXLM-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CCc1ccc(Cl)cc1 308635196 CEVKTUJRUHPSSB-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(C)cc(C)n1 311655378 VFVUZCXNIQXKOR-MRXNPFEDSA-N 262.441 4.839 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc(C(C)(C)C)cc1 312274595 FZVDCDJNIWCUCP-KRWDZBQOSA-N 271.448 4.684 30 10 CJEE N#Cc1ccc(NCc2ccsc2Cl)c(Cl)c1 312532703 BSVOHDGOQMZGBA-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CCC[C@@H](C)C1 319985571 OOJUPDQLWUKNPY-SJORKVTESA-N 251.458 4.785 30 10 CJEE CSCCCSCC1(CS)CCCCCC1 320067054 AXMWOCDVRZQZTQ-UHFFFAOYSA-N 278.552 4.743 30 10 CJEE N#CC1(Cc2csc(Cl)c2)CCCCCC1 393926053 RUTJJEWNKAODJG-UHFFFAOYSA-N 253.798 4.808 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)c2c(F)cccc2Cl)cc1 394271735 MTIJJJKLMSMFOH-INIZCTEOSA-N 288.753 4.638 30 10 CJEE C=C(C)CCNc1ccc2ccccc2c1Br 396981593 SPWMTNJGGRSKCL-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)[C@H]1CCNC1 400343488 IFKPEQJEIPKKJG-ROUUACIJSA-N 283.500 4.658 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c(C)cc1Cl 466861134 AOWOFEMEELUPBF-JTQLQIEISA-N 286.202 4.843 30 10 CJEE O=C(/C=C\c1cccc2cnccc12)c1ccc(Cl)s1 588423504 SEZIBTYQWOELEX-PLNGDYQASA-N 299.782 4.846 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C\c1ccco1 588574413 UOBXVJAJNCLMDD-QXMHVHEDSA-N 295.382 4.783 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H]1CCCc2sccc21 686690560 BKGJRKKHNUWOJH-NVXWUHKLSA-N 289.488 4.730 30 10 CJEE CC1(C)CN(CCCCCCCCCS)C1(C)C 690332150 IUINETFCSHPJET-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=CCC[C@H](C)Nc1c(C)cccc1Br 690435094 PVAGMLZMLQWCLJ-NSHDSACASA-N 268.198 4.524 30 10 CJEE N#Cc1cc(Cl)ccc1NC1CC(c2ccccc2)C1 690706039 MEQRFLCJPZFMBG-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE C=CCC1(Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 690813742 AVJVZHWIZLIJBT-UHFFFAOYSA-N 280.755 4.549 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H]1CCCCC[C@H]1C 691069660 RKYBGUUWGAIGRB-KURKYZTESA-N 282.516 4.575 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCCC[C@H]1C1CC1 695815336 LOLQTBSTHZAJFO-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@H]1CCCC[C@@H]1C1CC1 695874218 VLJBWZPPGPIFOD-CVEARBPZSA-N 288.822 4.617 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](N)c1ccccc1 696329655 FMHWAAYVFSKRCA-QZTJIDSGSA-N 277.452 4.578 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H](CC)[C@H]3C)C[C@@H](C1)C2 697298090 VULGFIUTQPIUDZ-NVTHBOGBSA-N 261.453 4.536 30 10 CJEE C=C1C[C@H]2CC(NCC(C)(C)c3cccs3)C[C@@H](C1)C2 697321577 MYHCWYGEJHXLLD-XYPWUTKMSA-N 289.488 4.750 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC2C[C@H]3C[C@@H]3C2)CC1 698029293 WGCBYGDHWHFIBD-WMTDPASSSA-N 262.437 4.844 30 10 CJEE C#C[C@H](N[C@@H](CCCC)c1ccccc1)C(C)(C)C 702280287 FWYZCNVRMWOBQX-IRXDYDNUSA-N 257.421 4.555 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)CCOC1(C)C 703436359 IMPMSIWOCLDUDV-SFHVURJKSA-N 283.500 4.920 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(CC(C)C)cc1 704048739 VBPVWBSBMFMDKU-UHFFFAOYSA-N 273.464 4.967 30 10 CJEE CCCCCCCCCCC/C=C(/CN)COCC 704183073 FGUNANOZGAKQMH-VKAVYKQESA-N 269.473 4.829 30 10 CJEE N#Cc1ccc(Cl)cc1OCc1ccsc1Cl 710874063 FQCCKHMTYTUAJF-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(C)ccc1Br 715722491 VRCBNEFYRHCBBY-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(C(F)(F)F)s1 717947793 WTCRMSXHHZDFFB-UWVGGRQHSA-N 277.355 4.772 30 10 CJEE C#CCCCCC[C@H](NC)c1csc(C(F)(F)F)c1 718724563 OSHPXLFAUSWVDN-LBPRGKRZSA-N 289.366 4.611 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1sc(C)cc1C 719474437 UAPPJOGVLYWMJO-LSDHHAIUSA-N 263.450 4.589 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1C[C@H]1C)NN 722899166 YCORECPMPGSLAT-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE C=C1CCC(CN[C@H](CC)c2ccc(F)cc2)CC1 724446291 FVZQYXMNFQBKKN-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE C=C1CCC(CNc2ccc(F)cc2Cl)CC1 724549575 GWWPVWTUCNIEEQ-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(C[C@@H](NN)c2cc3ccccc3s2)CC1 724589847 KEOYVTYEZZAAHF-OAHLLOKOSA-N 286.444 4.542 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@@H]2C2CC2)NCC)CC1 724603022 QOKIIJOSLUEMKW-KZNAEPCWSA-N 261.453 4.537 30 10 CJEE CC(C)CC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CCS1 725110246 ZWGFKXKJTMKXGT-HOCLYGCPSA-N 296.524 4.843 30 10 CJEE Cc1cc2scc(CC#N)c2cc1SC(F)(F)F 725314171 COFRDCSLABLKOB-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](C)c1nc(C)cs1 793528660 SUHQARSJQUBVNX-TZMCWYRMSA-N 266.454 4.627 30 10 CJEE C=CCCN(C)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1128050488 LVPPKEOZTWLKBI-KOHRHEQBSA-N 291.479 4.654 30 10 CJEE C=CCCCCN1CCc2[nH]c3ccc(Cl)cc3c2C1 1195612330 DJJQRJLFJOXAOF-UHFFFAOYSA-N 288.822 4.536 30 10 CJEE C=CCC(C)(C)CNC(=O)N[C@@H](CCCCC)C(C)(C)C 1227621128 AJMNHNKSSNQISP-HNNXBMFYSA-N 296.499 4.883 30 10 CJEE C=CCC(CC=C)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 1276825460 ZUUZYGGMQGPQFK-GOSISDBHSA-N 297.442 4.755 30 10 CJEE C=CCC(CC=C)C(=O)OCc1ccccc1CC(C)C 1289270894 FRRSJJLQHVNYIV-UHFFFAOYSA-N 286.415 4.697 30 10 CJEE C=C(CC(C)C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 1293723201 IUBASLUDUPNANT-QGZVFWFLSA-N 299.458 4.979 30 10 CJEE C=C(C)CCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 1307495629 PDIVNBZLHAUGOM-ZWKOTPCHSA-N 257.421 4.529 30 10 CJEE C#C[C@H]1CC[C@H](NC/C(C)=C\c2ccc(Cl)cc2)CC1 1308509765 HBRWJRKNERICRL-TWJQGKPCSA-N 287.834 4.525 30 10 CJEE C=CC[C@H](CC)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1308723470 NJSAFVVYGXUOEH-WFASDCNBSA-N 285.353 4.753 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccccc1C)c1ccccc1 1351192522 RJDMEBVBYGSVGK-QGZVFWFLSA-N 280.367 4.650 30 10 CJEE C=C1CCC(C(=O)Oc2cc(Cl)cc(Cl)c2)CC1 1351408636 MZGBZSIMTPPUEH-UHFFFAOYSA-N 285.170 4.645 30 10 CJEE C=C(C)CN(CC)C(=O)c1cc(C)c(-c2ccccc2)s1 1353483320 VCLFSQMERNFUSR-UHFFFAOYSA-N 299.439 4.762 30 10 CJEE C=CCC1(C(=O)Nc2ccc(SC)c(Cl)c2)CCC1 1355073768 HMHULAUTIPMGLQ-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C=CCC[C@H](C(=O)N1CCCCC[C@H]1C)c1ccccc1 1459190175 YJLHZIUDNLEUGI-AEFFLSMTSA-N 285.431 4.528 30 10 CJEE C=CCCCN[C@H](c1ccc(Cl)cc1)C(C)C 1460113630 VHSWYTHHJOORGM-HNNXBMFYSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H]1CCCN(CCSc2ccc(C)c(C)c2)C1 1460364055 QZPWGQDOFOCAFE-QGZVFWFLSA-N 289.488 4.684 30 10 CJEE C=CCCCN(CC)[C@H](C)c1cccc(Cl)c1 1460903520 XFNOQVIHNUFKFN-CYBMUJFWSA-N 251.801 4.689 30 10 CJEE C=C(C)COc1cccc(NCc2cc(C)ccc2NC)c1 1461316253 NOFPGJRLQLIXMY-UHFFFAOYSA-N 296.414 4.604 30 10 CJEE C=CCCC(C)(C)CNC(=O)C/C=C\c1ccc(C)cc1 1462038733 VEBRXWRYYUGZRI-FPLPWBNLSA-N 285.431 4.507 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)Cc1ccc(C)cc1 1462334089 QAHVIRUXAWXMGV-GHTZIAJQSA-N 293.454 4.703 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1462337372 YODDVUIDHGIORP-OWQNAKTJSA-N 295.470 4.588 30 10 CJEE C=C(CC)CN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 1473127902 LCNMHOGKOLUUTG-LLVKDONJSA-N 272.219 4.952 30 10 CJEE C=C(C)CCN(OC)[C@H](C)c1cccc(C(F)(F)F)c1 1473813848 UESYEUSDDHMBTM-GFCCVEGCSA-N 287.325 4.596 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@]1(C)CCC[C@H]1C 1518875717 SLXNTHCCPMJICD-KDOFPFPSSA-N 271.404 4.570 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](C)CC2CCCC2)C(C)C)c1 1520607074 YEXSDTOOAYIIGR-INIZCTEOSA-N 297.442 4.626 30 10 CJEE C=C(C)CN(CC)C(=O)/C=C(/CC)c1cccc(Cl)c1 1524202141 VGCJGFVWJXTYFO-KAMYIIQDSA-N 291.822 4.558 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C[C@@H](C)CCCCCC 1538727876 QXMNYIVDUJQLAB-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)c2cccs2)c1 1539121650 LMKRBJWZCGDZIO-LBPRGKRZSA-N 271.385 4.523 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 1539550442 PGRBHLPCHFTFNP-OAHLLOKOSA-N 279.383 4.852 30 10 CJEE C=CCCCCCN[C@H](C)c1ccc(SC)cc1 1559781322 BWOORDCJLAQSSF-CQSZACIVSA-N 263.450 4.806 30 10 CJEE C#C[C@@H](NC(=O)[C@](C)(CC)CCCCCC)C(C)(C)C 1583585522 WCPBORVAFNXIME-CRAIPNDOSA-N 279.468 4.537 30 10 CJEE C=CCCCNCc1ccc(Oc2cccc(F)c2)cc1 1620924015 DZRIYHYSRROEJA-UHFFFAOYSA-N 285.362 4.674 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(C)c(C)c1Cl 1625877701 JKPBRMJDMAHSFC-UHFFFAOYSA-N 294.826 4.681 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccnc3ccccc23)c1 1627391557 ORFGRKNVKGSFCB-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cnn(-c3ccc(C)cc3C)c2)C1 1652218156 AXOFKQDGQDMKSS-IAGOWNOFSA-N 295.430 4.646 30 10 CJEE C=CCNC/C(=C\c1ccccc1)CCCCCC 1656680568 BBYFZVAWYFAEHC-SDXDJHTJSA-N 257.421 4.816 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H](c2ccccc2)C2CC2)C1 1657438164 GPAANMRWXACFJP-ATZDWAIDSA-N 269.432 4.515 30 10 CJEE C=C(C)[C@@H](N[C@@H](C)CCCC)c1ccc(F)c(F)c1 1657804410 GRFNIVSTWAMETL-BLLLJJGKSA-N 267.363 4.750 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC[C@@H](C)c2ccccc2)C1 1657871349 JZWNJEOISFTMGO-NUJGCVRESA-N 257.421 4.515 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccccc2N(C)CCC)C1 1659779491 PQOBABLGMHEJLL-HZPDHXFCSA-N 272.436 4.690 30 10 CJEE C=C1CCC(CN[C@H](C)Cc2ccc(F)cc2Cl)CC1 1660674817 UAJGNRXKWWETBR-CYBMUJFWSA-N 295.829 4.746 30 10 CJEE C#C[C@@H](N[C@H](Cc1cccc(Cl)c1)CC(C)C)C(C)C 1664635244 HAEWTCAEWHOURQ-ZWKOTPCHSA-N 291.866 4.545 30 10 CJEE C=CCN(C(=O)c1ccc(Cl)cc1)C1CCC(C)CC1 1860008137 HASHKNMATOXRFB-UHFFFAOYSA-N 291.822 4.547 30 10 CJEE C=CCN(CC=C)/N=N/c1ccc(N2CCC(C)CC2)cc1 1860485865 CBOFMDJDQKRTIA-FMQUCBEESA-N 298.434 4.596 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(Cl)cc1C 1885236869 MDXRZFMDVOFYCR-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CC#CCCCCN[C@@H]1CCCCC12CCCCC2 1885238875 YBLWAQISWFMTIB-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1ccc(Cl)c(C)c1 1888683069 UEDPNRXLCDPNIW-KRWDZBQOSA-N 271.791 4.622 30 10 CJEE C=C[C@H](N[C@H](CC)C1CCC(C)(C)CC1)C1CCC1 1892925993 HSAYWGNHEBLVSG-DLBZAZTESA-N 263.469 4.926 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cc(Cl)c(Cl)cc1Cl 1903213093 COKBFSZUZDXNFR-MADCSZMMSA-N 279.594 4.892 30 10 CJEE C=CCC(CC=C)SC[C@@H](CS)CC(C)C 1905528081 VRIAETMWAMEBTH-CYBMUJFWSA-N 258.496 4.833 30 10 CJEE CC(C)[C@@]1(C)CSC(=N[C@H]2CCCCC23CCCC3)N1 1911989076 RFZPPEGHCNJLTD-GOEBONIOSA-N 294.508 4.597 30 10 CJEE N#Cc1cc(F)cc(N[C@H]2CCC3(CCCCC3)C2)c1 1915863818 LWQONCCDRABTHC-HNNXBMFYSA-N 272.367 4.612 30 10 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CC[C@@H]1NC(=NCC[C@@H](C)CCCC(C)C)S[C@H]1C 2272261884 XINWZWDETOIVOQ-KKUMJFAQSA-N 284.513 4.698 30 10 CJEE C#C[C@H](C1CCC1)N(C)CC[C@@H](C)CCCC(C)C 2272304504 ZAVMRHMFQBMUPD-FUHWJXTLSA-N 263.469 4.573 30 10 CJEE C[C@@](N)(C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2273980418 IWRUMMNERYGSNN-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE CCCCCCCCCC1(OCCN)CC(C)(C)C1 2276651696 UDDVRFMXZKBMES-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE C=CCCCC[C@@H](OCCN)c1cc2sccc2s1 2276793289 LDTYQIGRODGSKV-GFCCVEGCSA-N 295.473 4.726 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1nc2ccccc2s1 2278002574 MMHLMLVEZGDPJP-DOMZBBRYSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1(C#N)CC=CC1 2278249021 ZRDJTCURMOFLDA-MRXNPFEDSA-N 263.425 4.738 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC(F)(F)C23CCC3)CC1 2280815998 VQTZXBRMGKHKFF-SHARSMKWSA-N 284.390 4.988 30 10 CJEE CNC[C@@]1(CC=CC#CC(C)(C)C)CCCC12CCC2 2284083644 JAPIKNGZXKEEPH-LJQANCHMSA-N 273.464 4.542 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCCC[C@@H]1C 2284101963 ZJLCNPBATGFNGZ-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE C[C@@H]1C[C@H](N(C)CC=CC#CC(C)(C)C)CC(C)(C)C1 2284138478 BOTFHOSMPUZWBD-SJORKVTESA-N 275.480 4.739 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)c1ccsc1C 2287392471 NZVZKDDCWPKSFR-IRXDYDNUSA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](C)[C@H]1CCCCO1 2287464639 AWWHUMOYUGTANR-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1ccc(C#N)c(F)c1 2287859982 VYFITDQBIWZOCS-CQSZACIVSA-N 277.383 4.929 30 10 CJEE CCCCCCCCCCN[C@@H](CC)[C@@H](C)CN(C)C 2288713588 UHPRBSCEZAINOA-ROUUACIJSA-N 284.532 4.693 30 10 CJEE CC(C)(C)NC[C@]1(CC#CC2CCCC2)CC=CCC1 2289900372 CAXBQJGUWJIKRV-LJQANCHMSA-N 273.464 4.685 30 10 CJEE C=CC[C@H](C)[C@H](Cc1cccc(C(C)(C)C)c1)NCC 2290293017 MURPKEKIEOGKPK-YJBOKZPZSA-N 273.464 4.717 30 10 CJEE C=CCCCCC[C@@H](CCCCCCC)OCC(=O)O 2291697561 HGBZFSXXEIKMFW-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@](CC)(CCCCC)OCCC(=O)O 2292415691 ZDVAYMVVEQLRLK-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@]1(C)CC1(C)C 2292646458 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CCCCCCCCC[C@@H](C)NCc1nc(C)c(C)o1 2295690926 HAWBUQKEOYNUNO-CQSZACIVSA-N 280.456 4.910 30 10 CJEE CCCC[C@@H](CC)CSCC1CC(C#N)(NC(C)C)C1 2295710392 GSMPQXLSXOELEJ-KLAILNCOSA-N 296.524 4.606 30 10 CJEE CCCCCCS[C@@H]1CCC[C@](C#N)(NC2CC2)[C@H]1C 2295765555 DXIAXABCMSCLFH-USXIJHARSA-N 294.508 4.503 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(NCC)C1CCC1 2295766398 MSVJBGULBQHTAT-WBVHZDCISA-N 296.524 4.608 30 10 CJEE CCCCCCC[C@H](NCC)c1scc(OC)c1OC 2296273102 MSZBEYNEXHINPF-ZDUSSCGKSA-N 299.480 4.776 30 10 CJEE CCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2301929087 RXKIARSXIPHGMG-JTQLQIEISA-N 275.845 4.770 30 10 CJEE C=C[C@](C)(CO)CCCc1cc(Cl)cc(Cl)c1 2302371534 HENRZOKBJPYXRE-AWEZNQCLSA-N 273.203 4.501 30 10 CJEE C=CCC[C@H](O)c1c(C)c(C)c(Br)c(C)c1C 2304904600 HUMOFAFHSTWGGN-ZDUSSCGKSA-N 297.236 4.682 30 10 CJEE C=CCSc1ccc(C)c(Cl)c1CNC1CCC1 2314003007 RNSFXQGWSCNWOH-UHFFFAOYSA-N 281.852 4.569 30 10 CJEE Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1Cl)O2 2314519132 AEVQHUMDYIMFNQ-UHFFFAOYSA-N 284.742 4.573 30 10 CJEE CC(C)CCC[C@H](C)Nc1cc(C#N)ccc1Cl 2315954009 LXQMGUHOBBFPBM-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE C=CCC(CC=C)[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2316751906 JEAAAALFHFMXOE-HNNXBMFYSA-N 284.230 4.632 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)cc1C 2321114673 AXHUAIZQOOXRNM-JKSUJKDBSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@H](CCC(C(C)C)C(C)C)NCC 2321117678 PHBIEVLGQGMOMT-RDJZCZTQSA-N 253.474 4.885 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC(C)(C)CC[C@H]1NCC 2335095460 BJWGXLGAHCESQX-HZPDHXFCSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)NCc1ccc(C2CCC2)cc1 2335197673 OSKZFKJUIOTYHQ-UHFFFAOYSA-N 255.405 4.565 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC=C(C)CC 2338524433 UDCXXDOALOGTKP-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2339074272 SXWGYEZUXBPLLV-AJNGGQMLSA-N 267.363 4.922 30 10 CJEE CCCC[C@@](C)(C=O)Cc1ccc(F)cc1C1CC1 2339166456 PKXWDLUHRNPCNB-QGZVFWFLSA-N 262.368 4.641 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339277574 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CC[C@@H]1CC[C@@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 88041344 USIALKOBZMXPQZ-IUODEOHRSA-N 282.412 4.975 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC2(CCCCC2)CC1 94579364 PUABIWWWMNDLOE-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE Cc1csc(SCC2(CS)CCCCCC2)n1 94589260 XDSRMDABNKQPIJ-UHFFFAOYSA-N 287.519 4.814 30 10 CJEE CCC(CC)(CS)CSc1cc(F)ccc1F 94589293 AOBSUCHEKKCNNT-UHFFFAOYSA-N 276.417 4.793 30 10 CJEE Fc1cccc(SCC2(CS)CCCCC2)c1 94627616 OTSMSSRERJFJPS-UHFFFAOYSA-N 270.438 4.798 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(C(F)(F)F)c1 97208430 SQXHFFQETHSXHE-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CSc2ccccc21 97419674 PBHOLRDAEGINMF-JKSUJKDBSA-N 275.461 4.600 30 10 CJEE CC1(C)CCC(=O)N(CCCCCCCCCS)CC1 97799959 NCQACNHKFNPHFY-UHFFFAOYSA-N 299.524 4.686 30 10 CJEE C=CC[C@@H](CC)c1ccc(OCC)c(Br)c1 107513227 HLDUDOFRWUYZSA-LLVKDONJSA-N 283.209 4.918 30 10 CJEE CCCCCCCO[C@H](c1cccc(F)c1)[C@@H](N)CC 109987384 QPEUTXNASGRHDY-DLBZAZTESA-N 281.415 4.591 30 10 CJEE Cc1cccc(N[C@]2(C#N)C[C@@H](C)CC[C@@H]2C(C)C)c1 110028717 ROEQRPHKFFVJQE-JQHSSLGASA-N 270.420 4.762 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C#N)c(Cl)c1 110259903 PCQVWLUGPRTJGV-NHYWBVRUSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)(C)C)NCC[C@@H]1C 115268236 AWEGZKIHSIUNPA-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCc2ccccc21 115842830 IOKRJFVGGIGIKC-QZTJIDSGSA-N 260.421 4.828 30 10 CJEE CCCCCCCCC(=O)Nc1cccc([C@@H](C)NC)c1 115854924 LRZCTRGYZMZKNB-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE CCCCCCC[C@@H](NCC)[C@](C)(CC)N(CC)CC 118157637 LIGFYGDUENDCQP-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE CCCCCCCCn1ccc([C@@H](NCC)C2CC2)c1 118248959 UYBRSMZVUPQVFY-SFHVURJKSA-N 276.468 4.909 30 10 CJEE C[C@H](Oc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 122382420 ADEBBKMUNLQHPT-NSHDSACASA-N 291.272 4.717 30 10 CJEE N#Cc1ccc(Br)cc1Sc1cccs1 124356337 UNDDLQHHZUUHKD-UHFFFAOYSA-N 296.214 4.533 30 10 CJEE N#Cc1ccccc1N[C@@H]1CCCc2sc(Cl)cc21 127280634 PDQKIROCERJLOK-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE CCCCCCCCOc1cc(C)c(F)cc1[C@@H](C)N 128362549 FOKXVZZELSFZJY-CQSZACIVSA-N 281.415 4.893 30 10 CJEE CCCCCCCCCCNC(=O)Nc1ccc(N)cc1 129388874 ITDGFDQWPOEHNJ-UHFFFAOYSA-N 291.439 4.531 30 10 CJEE N#Cc1cc(Sc2ccc(Cl)c(Cl)c2)ccc1N 131737584 QDEWMEMYSLOBPG-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H]1CCCCO1 134521586 HNBQKDFMSLFMHZ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CSc1cccc(Sc2ccc3c(c2)CCC3)c1C#N 136991807 PIPCQNBSQVNTEV-UHFFFAOYSA-N 297.448 4.920 30 10 CJEE C[C@@H](NCc1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1 149719152 FSSJNHSKKRKHCT-CYBMUJFWSA-N 298.455 4.768 30 10 CJEE C=CC[C@@H](NCC)c1ccc(-c2ccccc2)cc1 161129100 VWNOUGNLVVFUMA-GOSISDBHSA-N 251.373 4.580 30 10 CJEE CCCCc1noc([C@H](C)SCCCC(C)(C)C#N)n1 161813811 XOMDYDOJXREINU-LBPRGKRZSA-N 295.452 4.536 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164491018 ICHRICSNZFWMMA-NHYWBVRUSA-N 297.320 4.925 30 10 CJEE CCCCCCCCCCNCCCOCC(C)C 218756276 NFADGBVAOHQNCF-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(CC)cn1)NCC 228720509 JVJHGEHDHAULDG-KRWDZBQOSA-N 276.468 4.525 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(C)cc(C)n2)C1 229851679 FTOKCDKLJRWBJR-ILXRZTDVSA-N 274.433 4.509 30 10 CJEE CCCC[C@@H](CC)Nc1cc(Br)ccc1C#N 233034050 RAZFERAVMJIQGL-CYBMUJFWSA-N 295.224 4.701 30 10 CJEE CCSc1cccc(S[C@@H](C)C(C)C)c1C#N 233817320 IBJUJFRCLQDCGZ-NSHDSACASA-N 265.447 4.807 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 250824612 MUCUTXSZYSUTIZ-RCCFBDPRSA-N 295.511 4.920 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@]1(C)CC 250844817 ZQAFTILREZFGBJ-OALUTQOASA-N 296.543 4.836 30 10 CJEE Cc1cc(C)c(O)c(N=Cc2c(O)ccc3ccccc23)c1 254487690 GQBSTLYGALGELY-UHFFFAOYSA-N 291.350 4.618 30 10 CJEE CC(/C=C\c1ccccc1)=NNc1nc2ccccc2s1 254620811 YWYHDVNFWZBQQD-FHGPLBFVSA-N 293.395 4.798 30 10 CJEE CCc1ccc([C@@H](C)Nc2cccc(C)c2C#N)s1 300439066 YSYHLHDUWNSVNM-GFCCVEGCSA-N 270.401 4.664 30 10 CJEE C=C([C@@H](NCCC)c1sccc1Cl)C(F)(F)F 310360268 JVUAEWOVNZVENC-SECBINFHSA-N 283.746 4.561 30 10 CJEE Cc1ccc([C@@H](C)N(C)CCCCC(C)(C)C#N)s1 311295755 ZNOOFWBGYDBIFB-CQSZACIVSA-N 278.465 4.769 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(C(C)(C)C)cc1 312274597 FZVDCDJNIWCUCP-QGZVFWFLSA-N 271.448 4.684 30 10 CJEE CCCCCCCCn1c(N)nc2cc(C)c(C)cc21 312431184 UMCBOEDWCUGFCT-UHFFFAOYSA-N 273.424 4.596 30 10 CJEE CO[C@@H]1CCC[C@H](C2(C=O)CCC(C(C)(C)C)CC2)C1 316930476 YDQNRQLUQZFGTM-BNQMIIOLSA-N 280.452 4.613 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCC(F)(F)C2)C1 317330800 QEDRSENONHZTBR-ILXRZTDVSA-N 272.379 4.988 30 10 CJEE N#CC1(C(O)(C2CCC2)C2CCC2)CCCCCCC1 380358110 HGSYKADQMALAJS-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=CCC(C)(C)CN[C@@H]1c2ccccc2CCC1(C)C 380514576 ALLCXNCDMUPEJU-QGZVFWFLSA-N 271.448 4.892 30 10 CJEE CCCC1CCC(C#N)(CCc2cccnc2)CC1 381662982 NOEUIPUXFKLLQP-UHFFFAOYSA-N 256.393 4.514 30 10 CJEE C=CCS[C@H]1CCCCCCCCCC[C@H]1NC 382129541 IOZXFVHYVUPIDW-CVEARBPZSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C 384492177 LVNKIEIWZAAICG-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H](O)C(C1CCC1)C1CCC1 385015319 YFYZQLOTFMIWLP-MRXNPFEDSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](CNCCC)Cc1ccc(Cl)c(Cl)c1 386719808 ZQKXCPWNWMMDJL-ZDUSSCGKSA-N 286.246 4.728 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cc(Cl)ccc1Cl 393807363 PZPNZQWCMUKOMX-JQWIXIFHSA-N 272.219 4.999 30 10 CJEE C[C@H](/N=C1/N[C@H](C(C)(C)C)CS1)c1ccc(Cl)cc1 394009151 YEDGFTBVBPUZRK-GWCFXTLKSA-N 296.867 4.508 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1 398081666 DNVCEKIPWJJTBI-AWEZNQCLSA-N 287.378 4.920 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl 398198502 UXJQCLMRUKBXKI-RYUDHWBXSA-N 269.791 4.875 30 10 CJEE CCCCCCC[C@H](O)c1cccc2cnsc12 402896358 DYPBDVNJDBIEAR-AWEZNQCLSA-N 263.406 4.690 30 10 CJEE CCCC[C@H](NCC1CCC(C#N)CC1)c1ccccc1 442867201 KRHAAEDXIFRYKC-TVPLGVNVSA-N 284.447 4.837 30 10 CJEE N#CCCCOc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1 507469083 JGNNCARXNKHOBF-RBUKOAKNSA-N 298.430 4.750 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O 686688164 OJWUHXSAMPKCKE-QRVBRYPASA-N 270.416 4.515 30 10 CJEE Fc1cccc(Cl)c1N=C1NC2(CCCC2)CCS1 687324850 DDIITVNFIMUTKL-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CCC1(CC)CCCN([C@H](CC#N)c2ccccc2)C1 690552091 SKMRJASCEHXNJB-QGZVFWFLSA-N 270.420 4.544 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 691038543 NXPSPSRYERFDJK-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 692252713 FXCLUUMWXASXNR-HOCLYGCPSA-N 263.812 4.565 30 10 CJEE C=CCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692391714 SESZZHVGZKHAPO-VIFPVBQESA-N 276.182 4.749 30 10 CJEE Cc1cc(C#N)cc(NCc2cc3cscc3s2)c1 693993067 JVZKERZJMAQVKL-UHFFFAOYSA-N 284.409 4.755 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@H]1C1CC1 696129441 AYENFSQJOQKYEY-DLBZAZTESA-N 251.458 4.905 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@@H](C)N)c(Cl)c2)C1 703687517 AFGKYXQTBBHUEZ-KGLIPLIRSA-N 292.854 4.542 30 10 CJEE CCCCCCCC[C@@H]1CCCN[C@@H]1C(F)(F)F 706728037 NVWHETKCHNUOKP-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc2c(s1)CCCC2 710640025 XAXUPHNYANGWGA-CYBMUJFWSA-N 283.868 4.810 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712538089 KLJCGPGSNQGFIG-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE C=CCCC[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 712542975 FTQKDFJPWYVIMQ-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC2(C1)OCCO2 712702121 LYWMOQGIFOITBK-QGZVFWFLSA-N 298.467 4.829 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cnc2ccsc2c1 715717460 CCQQXRYXAYNTKG-BLLLJJGKSA-N 274.433 4.549 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(C(F)(F)F)c1 715755064 WFQPRLYHOAUMGT-IUODEOHRSA-N 285.353 4.958 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)cc1C 715784206 HFSIEENVHIMHFA-ABAIWWIYSA-N 251.801 4.511 30 10 CJEE CCCCCCCCCCC[C@@H](CC[C@@H]1CO1)NC 718616680 RWCDWLUGIZBVEQ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](NC)C1C[C@@H](C)O[C@H](C)C1 724268359 IJESNHQPCAGPAH-INMHGKMJSA-N 269.473 4.529 30 10 CJEE CCCCCCCCCC(=O)c1ccnn1C1CCC1 724443003 IBKUTDBBJXMTPE-UHFFFAOYSA-N 276.424 4.932 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc3ccccc3o2)CC1 724550357 PXMDBHMCXXALKN-MRXNPFEDSA-N 269.388 4.830 30 10 CJEE Cc1cc(SC(F)(F)F)c2sccc2c1CC#N 725314779 VXARKBQPSPEJIL-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CC[C@@H](OC(=O)CCCC(F)(F)F)c1ccccc1 778737457 NYWDMMIHIRWWMM-CYBMUJFWSA-N 286.293 4.580 30 10 CJEE C=CCCC[C@H](NCc1coc(C2CC2)n1)c1ccccc1 880389895 KQPUISRFCBBCJO-SFHVURJKSA-N 296.414 4.739 30 10 CJEE CCC[C@H](C)/C(=N/C)Nc1ccc(C)c(Cl)c1 1088738311 NANCZHUAYCQJQD-NSHDSACASA-N 252.789 4.525 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](C)CCCCCC 1124880981 UEHWFJIXIIXHBY-KRWDZBQOSA-N 287.447 4.808 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CCC)CCc1ccccc1 1126467374 QNIWZNTYHGALFX-AEFFLSMTSA-N 287.447 4.506 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCC1(C)C 1129783703 DLSINBNOZFBIES-MSOLQXFVSA-N 299.458 4.506 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1155025553 AXTBRDKTNMIKME-GOSISDBHSA-N 285.431 4.516 30 10 CJEE C#CCN(CCC1CCCCCC1)Cc1ccc(F)cc1 1167273413 FVVDXGHWZCLZNT-UHFFFAOYSA-N 287.422 4.621 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cccc(OCC)c1 1181410957 UUQALAIZHQBTMG-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C#Cc1ccc(CNc2ccc(F)cc2C(C)(F)F)cc1 1203441198 XSNBUYCLABRTFO-UHFFFAOYSA-N 289.300 4.531 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CCCC 1221757859 URHFZWVLUBYDLL-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C=CCC1(C(=O)N(CC)Cc2cccs2)CCCCC1 1264377869 XIBFGOFOTCBSFB-UHFFFAOYSA-N 291.460 4.623 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCCCc1cccc2ccccc12 1265379746 PXBBVDFIPRYCLA-FQEVSTJZSA-N 296.410 4.918 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CCC[C@@H](C)C1 1308585597 OESBTGYNSXUUBB-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE C=CCCCCCN(C)C/C=C\c1ccc(F)c(F)c1 1308619408 MEYMTTHIAYXTHR-HJWRWDBZSA-N 279.374 4.656 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(N2CCCC2)cn1 1308830766 SPSLNQITEMVNGX-INIZCTEOSA-N 287.451 4.619 30 10 CJEE C=CCC1(C(=O)N(CC)Cc2ccccc2C)CCCCC1 1353318288 WIHHONXQTMXPAA-UHFFFAOYSA-N 299.458 4.870 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 1435242509 WMQOMZBTAZINIZ-KRWDZBQOSA-N 291.410 4.524 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CCCC[C@H]2CC)CCCC1 1437639863 PPLVPTDMCYPKET-IAGOWNOFSA-N 291.479 4.846 30 10 CJEE CCCCCCCCCCN1C[C@H](C)O[C@@H](CC)C1 1459520657 XWHCDYWFGVCYEG-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1459682216 OVJXREOJBNTYEZ-KXBFYZLASA-N 285.431 4.765 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCCCCCC1 1460842973 DUWNZKBHCNKERQ-IBGZPJMESA-N 299.458 4.651 30 10 CJEE C=CCCC1(CNC2C[C@H](C)C[C@@H](C)C2)CCCC1 1461633812 NOBIJFZEACYYHZ-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)Cc1ccc(C)cc1 1462277161 LIHYTHPRNHHJBR-QGZVFWFLSA-N 259.437 4.508 30 10 CJEE C=CC(C)(C)CCCNC(=O)C1(CCc2ccccc2)CC1 1462600729 KEJIHMSJTGIWSZ-UHFFFAOYSA-N 299.458 4.508 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 1468826892 UJUJFDRXWAWKSE-IXDOHACOSA-N 294.483 4.637 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)C[C@H](C)CC 1476483725 VDBYAMRADOBOHM-HUUCEWRRSA-N 288.435 4.751 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)CCCC1 1527642351 CNMYJGUBYOKNIP-CVEARBPZSA-N 291.479 4.796 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2ccc(Cl)cc2)CC1 1527919597 DYVUFTWMTKQUAE-LBPRGKRZSA-N 278.779 4.691 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc2oc(C)c(C)c2c1 1529529832 DNMLZYSPYJHKOK-KRWDZBQOSA-N 271.360 4.590 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)C2(CCCCC2)C1 1559772548 WRWXASFOEVCYSE-GOSISDBHSA-N 275.480 4.862 30 10 CJEE C=C(C)[C@@H](N[C@H](C)CCC1CC1)c1ccc(F)c(F)c1 1560763768 DLWWSBBOSRYQOV-SJKOYZFVSA-N 279.374 4.750 30 10 CJEE C=C(C)[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccc(F)c(F)c1 1560764232 HSLAULYBSSBJSK-OJIVJNGMSA-N 293.401 4.996 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 1561041920 KCPONCHJRARJEK-SUMWQHHRSA-N 277.839 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](CC)CCCC 1563431820 XNMGIIRMOHOVBI-BBWFWOEESA-N 294.483 4.637 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CC2(CCCCC2)C1 1586140293 RXXXECIRSDGZBJ-RDJZCZTQSA-N 289.463 4.598 30 10 CJEE Fc1cc(F)cc(C#Cc2ccc(Cl)c(Cl)c2)c1 1614730790 HZMYZIWGLADTTO-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CC1(CC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CCCCC1 1617057491 LXKQNWBHFCCKOT-HOTGVXAUSA-N 291.479 4.702 30 10 CJEE C=CCCCCCN(C)C[C@H]1CCC[C@@H](CC)C1 1621175084 PPYRQFKNCBXXDH-SJORKVTESA-N 251.458 4.881 30 10 CJEE C=CCCC1(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)CCCC1 1621435941 NMALVMJWNCLZRI-PVAVHDDUSA-N 261.453 4.537 30 10 CJEE C=C[C@H](C(=O)N1CCCC[C@@H]1CCCCC)c1ccccc1 1630124842 ZCBFNGBBZNQEDJ-OALUTQOASA-N 299.458 4.918 30 10 CJEE C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1633584285 AHZFAOMGWRIHAO-HRCADAONSA-N 294.483 4.587 30 10 CJEE C=CCCCCN1CCC(C)(C)[C@@H](c2ccccc2)C1 1656280346 SJQRFHBUPFWTIC-GOSISDBHSA-N 271.448 4.858 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@@H](CC(C)C)C2)cc1 1660864197 LCRYSUIZBHHMBA-FUHWJXTLSA-N 255.405 4.685 30 10 CJEE C=CCN(CC=C)C(=O)C[C@@H]1CCCC[C@H]1c1ccccc1 1866373561 WAFXOVQDGHEBIC-OALUTQOASA-N 297.442 4.551 30 10 CJEE C[C@@H](CCS)CCN1CCC[C@@H]1C1CCCCCC1 1876809796 DEPGKXAVAPFJFH-NVXWUHKLSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCCCOCCC1(N)CC1 1877682083 NJBMEYXUEKUAAW-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1cccc2ccccc12 1883875054 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CC[C@@H]1CC[C@@](C=O)(Cc2cc(Cl)cc(Cl)c2)C1 2077297258 WLOHVFCHHNRTBU-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(F)c1C 2077861326 WZDLVUSNUVZWHT-MRXNPFEDSA-N 252.373 4.702 30 10 CJEE CC(=O)c1c(C(F)F)ccc(C(F)(F)F)c1C(F)F 2080786050 GVVYXUBFGMGOKO-UHFFFAOYSA-N 288.162 4.783 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H](CC)CCCC 2083407825 JMDGENNSJRLIOM-IRXDYDNUSA-N 251.458 4.765 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1csnc1C 2086277999 CUEGFKGTWBYBGI-OAHLLOKOSA-N 266.454 4.758 30 10 CJEE C=CCCCCCCCCNOC1CCCCC1 2086281509 WLQKQRUCOQCBLJ-UHFFFAOYSA-N 253.430 4.757 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)C(C(C)C)C(C)C)cc1 2087311974 CTMFXJYXPANEHN-KRWDZBQOSA-N 258.409 4.617 30 10 CJEE C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1Nc1cc(C#N)ccc1Cl 2088122847 LBAQZNKJAFDSDH-YRORDHRNSA-N 276.811 4.694 30 10 CJEE CCCCCCCCCCC(=O)[C@@](O)(CC)C(C)C 2090846964 IYBUBLVZCROQCW-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE CCCCCCCCCC[C@H](N)[C@](O)(CC)C(C)C 2092196078 XAOLJLGUKBDPLQ-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE 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4.525 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cccc(Cl)c1Cl 2337503966 XYSFSUMJBMBRPP-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C[C@H]2CC[C@H]1C2 2339242079 CUHZILKSIAOJBL-UFYUIRFASA-N 255.405 4.699 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1C(C)(C)OC 2339497326 YPZRJVQHTKDPHV-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1C1CC1)NCCC 2344344274 RSRMOPNSHYKPCN-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccccc1CCC 2344370784 FDTDZWABANGRLY-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cccc(Cl)c2o1 2344375146 MDPXSLUESANATO-NHYWBVRUSA-N 277.795 4.949 30 10 CJEE C=CCC(C)(C)[C@H](O)CCCCC(F)(F)C(F)(F)F 2344465850 NZPQMSWWYTWBAL-SNVBAGLBSA-N 288.300 4.708 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1CCC(C)(F)CC1 2352169133 PDDOSFVICPJCIY-SIWZUTFBSA-N 289.504 4.571 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC(CC1CC1)CC1CC1 2352175422 YCNTZAJNTSNGLP-QGZVFWFLSA-N 284.509 4.954 30 10 CJEE C[C@@H](c1ccccc1)N(C)C[C@@](C)(CS)C(C)(C)C 2352294729 OLCFGHXGAITJQQ-YOEHRIQHSA-N 279.493 4.662 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355161691 DXZGBRIHEPBXJA-UVPYHEFZSA-N 285.422 4.638 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2357278291 UJUFJSUXSBIZOJ-BHMUDNJQSA-N 285.456 4.811 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1C[C@H]2CC[C@@H]1O2 2357440469 IYPFDWLESXGFTI-KSZLIROESA-N 281.484 4.626 30 10 CJEE C=CC[C@@H](C)SC[C@](C#N)(NCC)C1CCCCCC1 2360333207 IWPZKINGDQHHHN-WBVHZDCISA-N 294.508 4.526 30 10 CJEE C=CC[C@@H](C)Sc1c(CN[C@H](C)CC)ccc(F)c1F 2360363364 IFFTYSNVEYQPGA-VXGBXAGGSA-N 299.430 4.910 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 19922427 MLEYFXUGZLMSSZ-NSHDSACASA-N 290.288 4.750 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 37282060 GGGGYRRUSNNEDY-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CCCCCC[C@@H](C#N)Nc1cccc(Cl)c1 37937175 RLBJBSXIFUVJOK-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE Cc1ccc(N[C@H](C#N)c2csc3ccccc23)cc1 54464690 AHVHVZZZWLSERR-MRXNPFEDSA-N 278.380 4.887 30 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CCN(c1ccccc1F)c1cccc(Cl)c1C#N 110257781 AFRACTBYSUYVPM-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE C[C@@H]1CCC[C@@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 110310521 GATLBRXQYFDGHT-IUODEOHRSA-N 282.412 4.975 30 10 CJEE CCCCCCC[C@@H](Nc1ccccc1C)C(=O)OCC 110318852 UQETXDPRHAPBBC-QGZVFWFLSA-N 291.435 4.699 30 10 CJEE CCCCCC[C@@H](C)Nc1cccc(Cl)c1C#N 110521467 BOVCMHCGVPJKLR-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCCCC[C@@H](O)COCC 115249200 BKMOMDQOWDGGSK-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCCCCn1cccc1CNC1CC1 117583619 GAXPRCCHDDMYEX-UHFFFAOYSA-N 276.468 4.881 30 10 CJEE C=C(Br)CNCCCCCCCCCC 123476609 ZIEKUANUORLRQQ-UHFFFAOYSA-N 276.262 4.625 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1COc2ccccc21 124759517 TWHUIFFHMPKJFJ-IRXDYDNUSA-N 275.436 4.501 30 10 CJEE CC(C)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 126979000 KDRVGMDMQPKUFZ-UHFFFAOYSA-N 286.325 4.572 30 10 CJEE CC(C)c1ccc(Oc2c(F)cc(C#N)cc2F)cc1 127466937 IQSGICLXCOQGSG-UHFFFAOYSA-N 273.282 4.752 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1cc(F)c(Cl)cc1Cl 129722576 VCROYCTVVQRIRJ-NXEZZACHSA-N 288.193 4.585 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccc(COC)o1 133227890 DTFWGKJYKOBOEK-INIZCTEOSA-N 281.440 4.827 30 10 CJEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1cccc(Cl)c1 134662347 LZXRQZYDPGGMFG-GHMZBOCLSA-N 290.819 4.685 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(N(C)C)c1 135381366 DGBIJIFGGSLQRV-KRWDZBQOSA-N 263.425 4.537 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1Oc1cnccc1C#N 135623536 NEXYIDOGRGYNJK-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(N(C)C)cc1 139501731 AERVDDCFYMSYDP-SFHVURJKSA-N 276.468 4.893 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H](OCC)C12CCCC2 159205557 GZZGSABVAKMDDK-SJORKVTESA-N 281.484 4.674 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C 164016878 LSYQTUZCGGITDE-GVXVVHGQSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164490894 ICHRICSNZFWMMA-ABAIWWIYSA-N 297.320 4.925 30 10 CJEE CCSc1cccc(N[C@H](C)c2ccccc2)c1C#N 167570944 JGAOEAALEZUZOH-CYBMUJFWSA-N 282.412 4.843 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](C)[C@@H]2C)C1 217944606 USXFILWMLZHTLL-CWQOZTLDSA-N 290.495 4.851 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](n2ccnc2-c2cccs2)C1 222640409 RDTGWROSAJZECW-ILXRZTDVSA-N 299.443 4.893 30 10 CJEE CCc1cccc(CC)c1Nc1cc(F)cc(C#N)c1 227604344 SJDCKFGLBDGHCK-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2nc3ccccc3s2)C1 228475030 IYUQGXXWYMPZLD-WBMJQRKESA-N 270.401 4.559 30 10 CJEE C=CCC[C@H](C)NC1CCC(c2ccccc2)CC1 228818555 YBKMMDNCGOWKPV-ZLPCBKJTSA-N 257.421 4.657 30 10 CJEE CCCCCCCC[C@@H](NC)c1sc(C)nc1C 232920844 XBVHBOXYNRHXGY-CQSZACIVSA-N 268.470 4.771 30 10 CJEE CCCCCCCCC[C@H](NC)c1nccs1 232994992 AREGRFVFOAAXPL-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C[C@H](Nc1cccc(F)c1C#N)c1csc(Cl)c1 235552115 XWFZYSVBYYTBGA-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE C=CCCCCCSc1cccc([C@H](C)O)c1 235575678 MSQVIKQPSKEDIT-ZDUSSCGKSA-N 250.407 4.578 30 10 CJEE C=CCCCCC[C@@H](O)CSc1ccccc1C 235794029 CLXSVXOHADUNFA-OAHLLOKOSA-N 264.434 4.585 30 10 CJEE C=CCCCCC[C@H](N)c1csc(Br)c1 236303739 LWLTZLRVAHZKEQ-NSHDSACASA-N 288.254 4.647 30 10 CJEE C=CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC 250813925 NNOFJFLSJHBURX-BZUAXINKSA-N 251.458 4.783 30 10 CJEE Cc1c(-c2cccc(-c3ccccc3)c2)ccc(N)c1C#N 253479653 RQTJUFIUMJNILT-UHFFFAOYSA-N 284.362 4.783 30 10 CJEE Cc1ccc(-c2csc(NN=C[C@@H]3CC=CCC3)n2)cc1 254294976 SCAVDAOOWROIRD-CQSZACIVSA-N 297.427 4.873 30 10 CJEE COc1c(C(C)C)ccc(C(C)C)c1CCCC#N 260231402 AQVNOGTZXYLHFN-UHFFFAOYSA-N 259.393 4.788 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@H]1CN 299955227 HGQDHJJCAAEUIH-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C[C@H](SCc1ccccc1)c1ccc(C#N)cc1 303661041 DHKCGRLXFGLFNV-ZDUSSCGKSA-N 253.370 4.553 30 10 CJEE C=C(c1ccc([C@H](C)NCC)c(Cl)c1)C(F)(F)F 311199246 JQALATXRLWHLAG-VIFPVBQESA-N 277.717 4.586 30 10 CJEE C=C([C@H](NC)C1CCC(C(C)(C)C)CC1)C(F)(F)F 311972640 LEIJPNICFAILKX-BPCQOVAHSA-N 277.374 4.545 30 10 CJEE N#Cc1sc(Nc2cccc3ccccc23)nc1Cl 312080730 SWHQGWIKJWZKDS-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCN[C@@H](C)c1cccc(SCC#CC(C)(C)C)c1 312278822 HJABMYTTZMBASU-HNNXBMFYSA-N 289.488 4.889 30 10 CJEE CC1(C)CCC(C#N)(c2ccc(Cl)cc2[N+](=O)[O-])CC1 312431860 LXYHXPSQUIXEQM-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@]2(O)CCCCC23CCCC3)C1 312501817 FECRXBIFOUQQSP-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@]1(C)CC[C@@](C)(CNCC(C)C)O1 312676741 MOGMLWPZZQEXEZ-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)CC1 313429786 RRTOACNSAPVDBC-GOEBONIOSA-N 256.393 4.523 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCSc2ccccc2)C1 316870053 PXBVBVCXOQYZFY-WBVHZDCISA-N 276.445 4.954 30 10 CJEE CC(C)c1ccc(C[C@]2(C=O)CCCC[C@@H]2C)cc1 317432552 PQZXDGBYEAXFMH-YJBOKZPZSA-N 258.405 4.748 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317625006 VOHQFFMJONKDPB-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C[C@@H]1CC[C@@](C=O)(C[C@@H]2CCCc3ccccc32)C1 317770928 VYULFVKGRJKGJW-HFTRVMKXSA-N 256.389 4.502 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@H](OCC)C1(C)C 378671199 LXCOZJVBGWUVNX-IKGGRYGDSA-N 283.500 4.776 30 10 CJEE C=C(Br)COc1ccc(-c2ccccc2)cc1 383629528 WXZILCSALXOMSH-UHFFFAOYSA-N 289.172 4.641 30 10 CJEE CC(C)C1CCC(C#N)(c2nc3ccccc3s2)CC1 383634537 JSPHCADFZPDXQP-UHFFFAOYSA-N 284.428 4.904 30 10 CJEE CN(CCCCCCCCCS)C1CC(C)(C)C1 395371006 KUNPFDFAKNAZHF-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=CCCCCC[C@H](CCOCc1ccccc1)NCC 395638634 WWACLWGVNKDRJI-LJQANCHMSA-N 289.463 4.708 30 10 CJEE N#CCc1ccc2scc(Cl)c2c1C(F)F 396195273 VVGLTIFFFDOOFK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@@H](CSc1cccc(F)c1)C1CCCCC1 397302193 LWQJJENZFGSLIS-ZDUSSCGKSA-N 263.381 4.638 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@]1(C)C[C@H]1F 399338210 GGBYCPRJMAELEZ-IXDOHACOSA-N 286.479 4.877 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccns1 401141289 YFULRZQWAUWSGJ-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=CCCc1ccccc1NC(=O)CSCCC(C)C 410376273 UUZHFGJXBXIQKP-UHFFFAOYSA-N 291.460 4.523 30 10 CJEE CC(C)(C)c1ccc(NC(=O)Nc2sccc2C#N)cc1 585201059 AYYPUUZAOLKJDS-UHFFFAOYSA-N 299.399 4.561 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](OC)C1 686350442 VUDZNSASLUICGL-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)Cc2ccsc2)CC1 690002970 HEVUTGHKMOEBSY-ARWYELJZSA-N 291.460 4.542 30 10 CJEE C=CCCCCC[C@H](NCCC)C(F)(F)C(F)(F)F 692556950 ZTJQCNWMBFFBKP-NSHDSACASA-N 287.316 4.689 30 10 CJEE CCCCCCCCc1ccsc1CNC1CC1 693137238 BQMZZUKQDCCUJP-UHFFFAOYSA-N 265.466 4.903 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(C#N)c(Br)c1 695156274 OFWAHVBNVOFWHQ-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C=C1C[C@H]2CC(NCC(CC)(CC)CC)C[C@@H](C1)C2 697316746 YXYCTRCFAIYMNL-SJPCQFCGSA-N 263.469 4.927 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)C[C@@H](C)CC 698916046 IWRBWQFRXMPQKH-WMLDXEAASA-N 296.455 4.742 30 10 CJEE CCSc1cccc(NC[C@@H]2C[C@H]2C(C)(C)C)c1C#N 699869036 UZARUTTXWKGJLQ-GXTWGEPZSA-N 288.460 4.764 30 10 CJEE CSc1cccc(Nc2ccc(C3CC3)cc2)c1C#N 709694822 CVXOSHIJVGAFDR-UHFFFAOYSA-N 280.396 4.901 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 710644599 YQIAJANJZPZHLP-RBSFLKMASA-N 271.876 4.960 30 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259.384 4.536 30 10 CJEE N#Cc1cccc(F)c1Nc1ccc2sccc2c1 1213930803 QRDYCWTUPCTYKQ-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE C=CCC[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 1266421976 VAXDMBSUBCWGCO-OUFNUQFJSA-N 283.415 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CC[C@H]2C[C@H]2CC1 1274721307 XJTYGJNQGRVSNE-NNZMDNLPSA-N 291.479 4.846 30 10 CJEE C#CCC1(NCc2cccc3ccccc23)CCCCC1 1308105689 PKXVVWYLVOEVEQ-UHFFFAOYSA-N 277.411 4.656 30 10 CJEE C=CCCCCCCCNC(=O)NCC(C)(C)C(C)(C)C 1312767513 XATCIZANKYOBRI-UHFFFAOYSA-N 296.499 4.885 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccccc2)[C@H](C)CC)CC1 1348511103 RHQQDXOMNCCDOX-MRXNPFEDSA-N 285.431 4.560 30 10 CJEE C=CCN(C(=O)c1oc2c(C)ccc(C)c2c1C)C(C)(C)C 1437776657 NDMUTWDRJSWRMX-UHFFFAOYSA-N 299.414 4.785 30 10 CJEE C#CCCCCCCN(CC(=C)C)Cc1ccccc1 1460056761 UOPWWXAVGFCGOU-UHFFFAOYSA-N 269.432 4.648 30 10 CJEE C=CCCC[C@@H](NCCCC1CC1)c1ccccc1 1460712028 SPNHEHVGLKOQQG-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CCCC[C@H](NCCCc1cccnc1)c1ccccc1 1460712537 VQRQWMBHKGSLCL-FQEVSTJZSA-N 294.442 4.701 30 10 CJEE C=CC[C@@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 1460954869 NTTDRSFQEKISJC-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C#Cc1cccc(NCc2ccc(C(F)(F)F)c(C)c2)c1 1461384032 YYFUTOKVDKYROV-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 1469616071 ZEKDVPWTSVQJCN-HNNXBMFYSA-N 285.774 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)C[C@H]1CC 1470385277 VZJVTMVQZSMXIQ-DLBZAZTESA-N 294.483 4.733 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(F)c(C)c1 1473495740 WIQAFUJPICBHBJ-CQSZACIVSA-N 251.389 4.755 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCC(C)(C)c2ccccc2)C1 1473955514 FIKXUWFKKLHQGA-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1519547452 SCYQUKRLBYMNNI-JTQLQIEISA-N 286.202 4.843 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCc2ccc(C(C)C)cc21 1539390762 YFMGXHDLBNXIDT-KRWDZBQOSA-N 285.431 4.516 30 10 CJEE C=C1CCC(C(=O)N(C)Cc2csc3ccccc23)CC1 1541003127 BJOATHLAOHOAAY-UHFFFAOYSA-N 299.439 4.606 30 10 CJEE CC[C@@H]1CC[C@@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1560778293 APQAAPFUNVNPPK-KDOFPFPSSA-N 292.382 4.951 30 10 CJEE C=CC(C)(C)CCCNCC[C@@H](C)c1ccccc1 1560996782 BRSAICXHRNBVCQ-MRXNPFEDSA-N 259.437 4.762 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2csc(C(F)(F)F)c2)C1 1621025173 CXSKDKKCGKYDCW-ZYHUDNBSSA-N 289.366 4.601 30 10 CJEE C=CCCCCN(CCC)[C@H]1CCc2ccccc2C1 1641580907 FHUCYCWEQFXHFY-IBGZPJMESA-N 271.448 4.612 30 10 CJEE C=CCC1(NCCCOc2cccc(Cl)c2)CCCC1 1647774078 BJDRFMSISOMKBV-UHFFFAOYSA-N 293.838 4.587 30 10 CJEE C=CCC1(NCc2cc(Cl)cc(C#N)c2)CCCCC1 1648032752 FXBQDJHLGOVQRE-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE C#CCCCCCCSCc1ccccc1OC 1652670880 OTOKHPMEJDQAMB-UHFFFAOYSA-N 262.418 4.512 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1658206217 DNZFDRODZLONOO-HOTGVXAUSA-N 290.410 4.840 30 10 CJEE C=CC(C)(C)CCCNCc1ccccc1OC(C)C 1658541370 KCUMYVHJJDPNEI-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE C=CCCCCCN(C)Cc1cccc(-c2ccccn2)c1 1659099725 OAELKFWQEHQZQV-UHFFFAOYSA-N 294.442 4.927 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCO[C@@H](C(C)(C)C)C1 1659571833 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C=C(C)CC[C@@](CCC)(OCCC(=O)O)C1CCCC1 2291702351 KBBXNFHOPXMOTI-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CC1CC=CC1)OCC(=O)O 2292191979 ZWRIDAHPCLXDEW-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](CC1CCCC1)OCCN 2292647044 YFCTXJVYTXRFHC-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@@](CCC)(OCCCN)[C@@H]1CC1(C)C 2293348083 KMTANSODKPSMEB-CRAIPNDOSA-N 281.484 4.539 30 10 CJEE C=C([C@H](OCCCN)C1(C)CCCCCC1)C(C)(C)C 2293364024 LUVXSODYYVFFOG-INIZCTEOSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@@H]2CCC[C@@H]21 2294567253 FGYPCTGJKDWKGK-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)C[C@@H]1CCCN1 2295537734 BZKHWNZQIZDFJF-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2CC[C@H]1O2 2295677188 AZRXGOHEIKFYFO-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 2295685695 ZVXKWHUSRQZPOL-CGTJXYLNSA-N 281.484 4.673 30 10 CJEE C[C@@]1(CC#N)CC[C@@](c2ccccc2)(C2CCCC2)O1 2295832540 FWVALRNXYJDUJI-ZWKOTPCHSA-N 269.388 4.555 30 10 CJEE C=CCC(CC=C)c1c(OC)ccc(Cl)c1F 2301044764 UZISCTOUYAUBGK-UHFFFAOYSA-N 254.732 4.724 30 10 CJEE CCCCCCCCCC[C@](C)(N)CCSC 2301813819 GOGJIEOCMFABNC-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(C)sc(C)c1C 2304051311 FLURJJBNFGRJDS-HNNXBMFYSA-N 250.407 4.848 30 10 CJEE C=C(F)C[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2306222099 PWWWCMTTZQSUIS-GFCCVEGCSA-N 280.145 4.656 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1[C@@H](C)C1(F)F 2312623087 LIXYBWRQXGOQCH-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCc2sc(Cl)cc21 2315464442 BLZSDWZUHCFBSO-WXHSDQCUSA-N 281.852 4.723 30 10 CJEE C=CCC(CC=C)[C@](C)(O)[C@H]1CCCC(C)(C)C1 2316712143 MFBMFQQMBNHYNZ-RDJZCZTQSA-N 250.426 4.722 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2321134959 RGZJRJSIGFJKBL-GJZGRUSLSA-N 286.246 4.856 30 10 CJEE CCCCCCCCCC1(N)CC(CCSC)C1 2321265999 UIXJLMIFAYYGEO-UHFFFAOYSA-N 271.514 4.988 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(F)cc1SC 2328540316 ULSFTXIPDRAIJE-AWEZNQCLSA-N 267.413 4.684 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(F)(F)F 2333328498 VYWKUMRCHJCXME-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@H]2C[C@H]3CC[C@@H]2C3)C1 2334608784 PRAIVVWQUKLTKW-XHSDSOJGSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccc(Cl)c(F)c1 2335099403 WCRPGZZIBHKIRH-OAHLLOKOSA-N 299.842 4.733 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc([C@@H](C)NCC)cc1F 2335243931 CBBLWXMMBKFWPE-GHMZBOCLSA-N 285.403 4.692 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CCC1(F)F 2335318761 JCTAWZPYTOVRJI-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE N#Cc1ccc(OCCCCCC(F)(F)F)cc1Cl 2337450957 FASRZVIATQXSQO-UHFFFAOYSA-N 291.700 4.713 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2338736986 ZQDKKQBFUGMZCG-MHORFTMASA-N 261.453 4.559 30 10 CJEE C=C(CC)CN[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343725504 PBTIQOOCWLXLTG-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=CCC(C)(C)[C@@H](CC#CC1CCCCC1)NCC 2344359429 YBEAUNCECLUCCQ-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(CC2CC2)c1 2344376928 BUZODZKQMVUFNN-RDTXWAMCSA-N 257.421 4.502 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NC[C@H](C#N)C(C)C)c1Cl 2353016859 UOFVWPIMRPNANL-RYUDHWBXSA-N 299.245 4.748 30 10 CJEE CCC[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(SC)c1 2353831580 LIVIEHMWGLCORM-WFASDCNBSA-N 274.433 4.661 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCC(F)(F)C1 2357780398 VOYPGARODLUESC-HRCADAONSA-N 284.390 4.988 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCc2ccccc2C1 2359360519 GWPBHMIYUNPVQF-HYEGPXJVSA-N 265.400 4.512 30 10 CJEE C=CCC(CC=C)O[C@@H]1CCCCCCC[C@@H]1NCC 2360209582 GCIFDMSTTXWPFG-ZWKOTPCHSA-N 279.468 4.615 30 10 CJEE C=CC[C@@H](C)SC[C@@](C#N)(NC(C)C)C1CCCCC1 2360332366 BKKNFXWGTRCCHX-NVXWUHKLSA-N 294.508 4.525 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC2(CCC2)[C@@H]1NCC 2360344824 VHKVEQFEKUIIIS-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)Sc1cc([C@@H](C)NCCC)ccn1 2360369250 UXDCLPCNOSTYET-CQSZACIVSA-N 290.476 4.755 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)cc1 21790233 KYGFNNBEFFANEI-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE Cc1cccc(C)c1OCCC[C@H](C#N)c1cccc(F)c1 57688503 MZVWTUJYHCVNTC-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE Cc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1 59518471 AGVSHHRFWWUTQM-VIZOYTHASA-N 254.116 4.645 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(SC)cc1 59526403 YFZWUPKFAYJSSM-UHFFFAOYSA-N 294.460 4.968 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1F 62614768 UCYZTAPORJFMAB-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE C[C@H]1CCC[C@@H](Sc2nc3ccccc3cc2C#N)C1 71390714 KNIJOMIRDKLWAQ-SWLSCSKDSA-N 282.412 4.777 30 10 CJEE CCc1ccc2cc(C#N)nc(C3CCCCC3)c2c1 77258770 WNYJPBOBPOODEB-UHFFFAOYSA-N 264.372 4.717 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86959592 TZJOSRVJHSXSBC-MAUKXSAKSA-N 270.420 4.987 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 88191276 YYNPLNGSXZNTCG-DGCLKSJQSA-N 296.336 4.958 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCSc2ccccc2)C1 92273621 BFHMIZIQRHDTDR-GDBMZVCRSA-N 259.418 4.889 30 10 CJEE CCc1cc(CC)n(CCCCCCCCCS)n1 97800039 YNUOOOBDXBMWQT-UHFFFAOYSA-N 282.497 4.668 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cnccn1 107683635 WAKMGDVTIPURDQ-INIZCTEOSA-N 277.456 4.787 30 10 CJEE CCCCCCCO[C@@H](c1cccc(C)c1)[C@@H](N)CC 109987627 HOWUPJXFFYGXOV-ROUUACIJSA-N 277.452 4.760 30 10 CJEE CCCCCCCO[C@@H](CNCC(C)C)c1ccccc1 110170264 CGPGLYIROYWVRJ-IBGZPJMESA-N 291.479 4.960 30 10 CJEE CCCCCCCCCCCCn1cc(C(=O)O)c(C)n1 112929596 LDCFSTAUSRJESU-UHFFFAOYSA-N 294.439 4.811 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1C 114066739 GQGGUQRAAIKXBN-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCc1nc(-c2cccs2)n[nH]1 115063911 IJHCNUNFLRLCBA-UHFFFAOYSA-N 277.437 4.826 30 10 CJEE CCCCCCCC[C@]1(CN)CCc2ccccc21 116254689 QUANQTFERWLTIX-GOSISDBHSA-N 259.437 4.580 30 10 CJEE CC[C@](C#N)(Cc1ccccc1)Nc1ccc(Cl)cc1 116390397 NEUXIGHXVUCCFN-QGZVFWFLSA-N 284.790 4.667 30 10 CJEE CCCCCCCCc1nc2ccc(N)cc2s1 116910100 AZDCSVCKDSSRKO-UHFFFAOYSA-N 262.422 4.782 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H]1CCCc2sccc21 122393046 WCEBJYRUTFNOOF-GOEBONIOSA-N 294.508 4.751 30 10 CJEE CCCCCCCCCOc1cc(C)c(N)cc1F 123168717 GDCUPCLTMRFRGA-UHFFFAOYSA-N 267.388 4.846 30 10 CJEE CCCCCCC[C@H](Cc1cc(F)ccc1F)NCC 126908040 SLAZPUZJLHCMOK-MRXNPFEDSA-N 283.406 4.846 30 10 CJEE N#Cc1c(Cl)cccc1OC[C@H]1CCCc2ccccc21 128987771 UKFUWKSFTWRJAW-CQSZACIVSA-N 297.785 4.711 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(CC)cc1)NN 131373707 ZRMXUMIGRHHMGX-LJQANCHMSA-N 290.495 4.764 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C)CCCS1 135355254 MAHYLEVUZJCHTR-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE CCCCCCCCC[C@@H](O)C1(OCC)CCCC1 159851497 KFIKWDSIKHANLV-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(SC)cc1 167700114 NNJYELINBAXVJA-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=CCCCC(=O)c1ccc(Br)c(Cl)c1 168396571 WZXRFPWIUGOABL-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=C(C)C/C=C(\COC(C)=O)[Si](C)(CCC)CCC 195785489 ZCZLBKZPQXPILN-MHWRWJLKSA-N 282.500 4.880 30 10 CJEE CCc1cc(Oc2c(C)cccc2C#N)ccc1Cl 221143976 IUQOPISWOAIPCB-UHFFFAOYSA-N 271.747 4.875 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C(F)(F)F)cc1 229736654 RFARJFAZICTMKK-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CCCCCCCCCCC(=O)OCC(F)(F)F 230505270 MWHMWUVGAHYNNK-UHFFFAOYSA-N 268.319 4.623 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccccc1C(C)(C)C 232515475 ZTFDXIXHRCGRSS-QGZVFWFLSA-N 274.452 4.625 30 10 CJEE CCCCCCCCOc1c(F)cccc1[C@@H](C)N 232933045 HEIOIBAMDLLLNW-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1scnc1C 233164608 NTONHUXEFAIXML-CQSZACIVSA-N 266.454 4.629 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CN 233302114 HBEISBYQCOBQDB-BRWVUGGUSA-N 251.458 4.914 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(SCC)cc1 233615522 XZTQZUSOOOTWGL-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1cccc(C#N)c1 252424124 FCPCOOUJIHGODD-BMGDILEWSA-N 284.447 4.814 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(SC)CC1 302349200 AAZGVCWPLHOCDO-CQSZACIVSA-N 258.471 4.774 30 10 CJEE CCCCCCC[C@H](N)CCc1ccc(Cl)cc1 308691368 RNMAQSUKOIFTTQ-INIZCTEOSA-N 267.844 4.960 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 309967704 LWLUZRDVIGUKHL-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C=CCCCCN[C@@H](c1cccs1)C1CCCC1 310883044 IRGOERKSPNDEHI-MRXNPFEDSA-N 263.450 4.925 30 10 CJEE CC(C)CC[C@@](C#N)(Nc1cccc(Cl)c1)C1CC1 311431724 GFQZMLKXSSOUBK-INIZCTEOSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@@H](CNC2CC2)O1 312400292 PDQHCAPNTILJRQ-MSOLQXFVSA-N 281.484 4.817 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCC[C@H]2C)cc1Br 314525174 GVARNEUIEJVPIP-DOMZBBRYSA-N 292.220 4.630 30 10 CJEE O=C[C@]1(Cc2c(Cl)cccc2Cl)C[C@H]2CC[C@H]1C2 316430130 LNHIHXXISPIZNP-ZIBATOQPSA-N 283.198 4.541 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2)C1 317306183 NHDSVAHNTMARND-CZUORRHYSA-N 264.796 4.668 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)C[C@H]2CC[C@H]1O2 317444838 VENKKIXJCGDRKB-KURKYZTESA-N 281.484 4.674 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CC[C@H](CC)C1 319291821 ZPVXUGMYRHYCHD-DLBZAZTESA-N 251.458 4.785 30 10 CJEE CC(C)C1CCC([C@@H](C#N)Nc2cccc(F)c2)CC1 380535963 UYWQMTCHAPMTKH-MQBCKMQZSA-N 274.383 4.592 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(F)ccc1Cl 384833307 HHIZMEUBUCYIQB-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(C(F)(F)F)cc1 385011244 NJFWQTKWFNVZND-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE N#CCCCCCOc1ccccc1-c1ccccc1 385215571 JZHSBBFIDSHRDF-UHFFFAOYSA-N 265.356 4.816 30 10 CJEE Cc1cnccc1CCC1(C#N)CCCCCCC1 397545474 LHNYDGOEWYZANT-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE CC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CC1(C)C 397684598 MZFIJZVYRQOFKY-HZPDHXFCSA-N 270.420 4.724 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(F)c(C(F)(F)F)c1 398055377 DKNZLWNYHOMDDI-NSHDSACASA-N 289.316 4.679 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 398098010 GJAWGEMOSBURAV-OLZOCXBDSA-N 251.801 4.735 30 10 CJEE C=CCCc1ccccc1NC(=O)N(C)[C@H](C)c1ccco1 505006708 VXKVCVDMSGQQQF-CQSZACIVSA-N 298.386 4.623 30 10 CJEE C=CCC[C@H](NC/C=C/c1ccccc1)c1ccco1 552043921 GTDLAXAEDOLZNF-ZBZNSMLMSA-N 267.372 4.590 30 10 CJEE N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)F 575341007 JEJVAWDEJQHXIF-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)[nH]c1C 682803736 NUFAEFYHIDQOBA-UHFFFAOYSA-N 296.414 4.736 30 10 CJEE C#CCCCCCn1ccc2cc(OC(C)C)ccc21 686690760 IJCMVHBSYRVSLO-UHFFFAOYSA-N 269.388 4.622 30 10 CJEE C#CCCCCCC(=O)c1ccc(C)c(Br)c1 686692044 YVCWTELUGGOQMR-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(SC)c1C#N 692250445 DZWKRLUQRCATSU-HIFRSBDPSA-N 286.444 4.827 30 10 CJEE C=CCCSCCN[C@H](c1ccc(Cl)cc1)C1CC1 696058189 HDOAYHGDVNJLRZ-INIZCTEOSA-N 295.879 4.690 30 10 CJEE N#Cc1cc(N[C@H]2CCCC[C@H]2C2CC2)ccc1Cl 696141158 CIYYJCKTAWNRQT-HOCLYGCPSA-N 274.795 4.592 30 10 CJEE CCCCCCCCCCCCN[C@@H]1COC[C@@H]1CC 699832768 DOHFLOCNJUXXHE-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC1(C)CC(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)C1 701484579 BROCIKXDJVYWKG-GFCCVEGCSA-N 296.197 4.606 30 10 CJEE C=C(Cl)CC1(CNCC)CCC(C(C)(C)C)CC1 710647109 WOAMBJFTNQIPRX-UHFFFAOYSA-N 271.876 4.961 30 10 CJEE Cc1cccc(N[C@]2(C#N)CC(C)(C)CC[C@@H]2C)c1 713080170 ZPYHFRXZIUIGIB-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE CC(C)(C)C(C)(C)/N=C1/NC2(CCCCCCC2)CS1 713205501 FXLBNRXBBKCWQW-UHFFFAOYSA-N 296.524 4.987 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1F 715830635 OKCMLPQZOBVZLX-MEBBXXQBSA-N 287.781 4.871 30 10 CJEE CN([C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N)C1(C)CCCC1 720344689 NPEXWXDZYHKAMA-HRCADAONSA-N 276.468 4.605 30 10 CJEE C=CCCCCC[C@H](NC)C1CCC(SC)CC1 720510425 LKGWQFVYYZXRRK-GPANFISMSA-N 269.498 4.633 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CC1(C)CCC1 720531314 DHUOUZVHQCJUFB-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE C=C1CCC(C[C@@H](NN)c2ccc(Cl)cc2Cl)CC1 724583541 WBXQJBIXDNRGME-OAHLLOKOSA-N 299.245 4.634 30 10 CJEE C=C1CCC(C[C@@H](N)c2c(C)cc(C)cc2C)CC1 724598470 BGVYEBKBIQTHRH-QGZVFWFLSA-N 257.421 4.748 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(C)c(C)c2)CC1 724598814 FOOKBTQDGRTPKG-GOSISDBHSA-N 257.421 4.700 30 10 CJEE C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 767697420 OFOOMXKOEYYTBN-KBPBESRZSA-N 299.370 4.548 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl 1169863292 IQMWPLRXWSTKSK-ZDUSSCGKSA-N 270.203 4.534 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1nccs1 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294.822 4.549 30 10 CJEE O=C[C@@]1(CCOCC2CCCC2)CCCCC12CCC2 2173680792 DAESARPTSZGNDW-SFHVURJKSA-N 278.436 4.513 30 10 CJEE CCC1CCC(N(C)c2cc(Cl)c(C#N)cc2F)CC1 2177388283 OUAOTPFPONKNAJ-UHFFFAOYSA-N 294.801 4.756 30 10 CJEE C#CCOc1cccc(NCc2cc3cscc3s2)c1 2179338429 IZEJMTRAIPDMCW-UHFFFAOYSA-N 299.420 4.587 30 10 CJEE C=CCCCCN(C)[C@H](C)C12CC3CC(CC(C3)C1)C2 2179668797 AWOHKLAKLOYQTH-CPZBXZKTSA-N 275.480 4.879 30 10 CJEE C=CCCCC[C@H](NCCC)C1(O)CCCCCCC1 2179679662 HRTDHEMLWJXVGR-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2snc3ccccc23)CC1 2181674959 WHAUDJHMNSMSEF-LBPRGKRZSA-N 285.412 4.862 30 10 CJEE C=C(F)C[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCCC 2182512855 ONTHLMNCBWLQAY-KZNAEPCWSA-N 275.411 4.812 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCCCOC2CCC2)C1 2184671059 LNYWHJIPMWZKGO-VYDXJSESSA-N 295.492 4.787 30 10 CJEE CCCCCCC[C@@H](CCCOCC1CC1)NCCC 2184770651 WXSRARLWVLDFGR-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@H](CCC#N)N(C)C1CCC2(CCCCCC2)CC1 2185826820 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CCCCCCCN(C)c1cc(Cl)ccc1C[C@@H](C)N 2196704471 OECJHEGQDMGXLG-CQSZACIVSA-N 296.886 4.636 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1ccccc1C1CC1 2196846541 AYEWZXYTAXHBGH-KXBFYZLASA-N 269.432 4.654 30 10 CJEE C=C(c1ccccc1)[C@@H](CCCc1cccs1)NCC 2197140161 QGBSYWZSOKVXOF-GOSISDBHSA-N 285.456 4.762 30 10 CJEE N#Cc1cc(F)c(OC[C@@H]2CC23CCCCC3)cc1Cl 2198384165 XXRQDTOODWIGLE-LBPRGKRZSA-N 293.769 4.700 30 10 CJEE C=C[C@](N)(C[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1 2200446969 WWVNKTJUGQYJDK-QRQLOZEOSA-N 269.432 4.633 30 10 CJEE N[C@@H](CC#CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1 2200451790 QYWOATNEIVVAIH-QRVBRYPASA-N 273.464 4.504 30 10 CJEE N#CC1(COC[C@@H]2C[C@@H]2C2CCCCCC2)CCCC1 2200738434 POJWMQWFCKHPOW-DLBZAZTESA-N 275.436 4.693 30 10 CJEE CCCCCC#CC[C@H](NC)c1cnc2ccsc2c1 2203793609 WNXIRMMCIYEMPB-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1cc2c(s1)CCC2 2203807856 QIVOESGJFTVSAG-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CCCCCC#CC[C@H](N)[C@H]1CCC[C@]2(C1)CC2(F)F 2203824482 ULJGKZTXWAYLKR-JYJNAYRXSA-N 283.406 4.503 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1c(Cl)ncn1CC 2206890644 HLKDVXJMOGSVTL-CQSZACIVSA-N 297.874 4.734 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)CC1CCCCCC1 2206895114 QKSQFNHSZHAVDK-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)[C@@H]1CCCC[C@H]1CC 2206895597 VZVLBEKGGNUJIA-JFIYKMOQSA-N 280.452 4.659 30 10 CJEE N#CC1(CC2C[C@H]3COC[C@H](C2)C3)CCCCCCC1 2206971975 PUMZVZXYNNHCOP-IAGOWNOFSA-N 275.436 4.693 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](C)(O)C1CC=CC1 2207374358 BHTHYTKLGZESBY-SFHVURJKSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCCC=C1C 2207379510 ZNUCHDTUIMBXJN-SFHVURJKSA-N 278.436 4.724 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCC[C@H](NC)C1 2207392353 PSGOOAFVFWCFBE-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCNC(C)(C)CN(CC)CC 2207427611 OIHFXNMWGFDNFS-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CCOC(C)(C)C1 2207431867 JWKGSAFEHQVGSY-SFHVURJKSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@@H]1CCOC1)NC 2207432566 QIEVDCBQIKBJBT-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@]1(C)CC1(C)C 2207434186 BWGDYCSGVIVDSM-AEFFLSMTSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@]1(O)CCCC[C@@H]1C 2207437103 LGMGXAPDAINAOD-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1N 2207446051 DGUKPIUHKWHSRJ-RCCFBDPRSA-N 281.484 4.683 30 10 CJEE CCCCCCCOc1cc(Cl)c(N)cc1Cl 2213662188 XWACXSNDCKJJJH-UHFFFAOYSA-N 276.207 4.925 30 10 CJEE C=CCCCCCCCNC[C@@]1(Cl)CC1(C)C 2216144216 TYKFEGUNJIZOJG-HNNXBMFYSA-N 257.849 4.510 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(Cl)s1 2217127230 WISNKOPQXOBSSW-VXGBXAGGSA-N 271.857 4.524 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@H]1C(F)(F)F 2217693299 HDPMMXWBQDFNLC-XQQFMLRXSA-N 265.363 4.666 30 10 CJEE CCCCCCCCCO[C@H](C)CNCCCC 2223227206 RUVWKXHFTKMJGD-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CC[C@H](CCSC1CCCC1)CN[C@H](C)CC 2223553721 XMRIIIPPRWRAQG-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE CCCCCCCC[C@]1(C)N[C@H](CC)C[C@H](C)O1 2223775369 RWCIBLAYWXPURF-ARFHVFGLSA-N 255.446 4.630 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]1(Cl)CC1(F)F 2223857563 PNSFYEOHFWYWIQ-STQMWFEESA-N 281.818 4.732 30 10 CJEE CC1(C)CCC2(CCCN2CC2(CS)CCC2)CC1 2224831194 LMMZRGVPMAMIHI-UHFFFAOYSA-N 281.509 4.521 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCCC(C)(C)O1 2226901967 DKPZNGCPEXYAQT-KRWDZBQOSA-N 269.473 4.804 30 10 CJEE C=CCCCCCCC[C@]1(O)CC[C@@H]2[C@H](C1)C2(F)F 2227273588 RDJLXSNWBSZIRR-ILXRZTDVSA-N 272.379 4.699 30 10 CJEE C=CCCCCCCCNC[C@H]1C(F)(F)C12CCC2 2227276996 VXACZQAEKLUOLO-CQSZACIVSA-N 271.395 4.538 30 10 CJEE C=CCCCCCCC[C@H](NC)c1cnc(CC)s1 2227288854 RDDTYMJTEWTCNH-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE CC(C)C1(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 2227501269 MOXBYZPUVXHLSP-NSHDSACASA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC(=O)[C@H]1C 2231042886 SXVHZZUPQJTITJ-NVXWUHKLSA-N 268.441 4.901 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(F)c1F 2231138373 PHIJLOFRNUTLMY-MLGOLLRUSA-N 267.363 4.526 30 10 CJEE CC(F)(F)CCC[C@@H](O)CCCC(F)(F)C(F)(F)F 2231724516 LMWRFPAKNWOVCB-MRVPVSSYSA-N 298.242 4.541 30 10 CJEE N#Cc1cc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)ccc1Cl 2233686511 UBGRTWYOHJKUOS-WDNDVIMCSA-N 288.822 4.840 30 10 CJEE C=CCCCCCCCCOC[C@H]1CC[C@H](CNC)C1 2234060611 ZLVDECDJHJAMMO-ROUUACIJSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCC[C@H](NC)c1cnc(F)cc1C 2235519220 NWYMDWQXUXBSTM-INIZCTEOSA-N 278.415 4.706 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCO[C@@H]1C(C)(C)C 2235520153 WTAXQGKJHQEKDL-SJLPKXTDSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@H](NC)c1cc(C(C)C)[nH]n1 2235520353 YTEXXGUNJWXOLR-HNNXBMFYSA-N 277.456 4.710 30 10 CJEE C=C1CCC(C[C@@](C)(N)c2ccc(Cl)c(OC)c2)CC1 2235859360 GLYVACNONATSSE-QGZVFWFLSA-N 293.838 4.659 30 10 CJEE CN(c1ccc(C#N)cc1)[C@H]1CCC[C@H](C(C)(C)C)C1 2238155035 GMISQIKDCXTTQA-RDJZCZTQSA-N 270.420 4.599 30 10 CJEE N#Cc1c(F)ccc(N)c1SCCCCCCC1CC1 2239328743 SJLRYCXZFMGPPE-UHFFFAOYSA-N 292.423 4.732 30 10 CJEE C#CCCCCC[S@@](=N)(=O)CCCCCCCC1CC1 2239359146 MYUZMMQWJUXWOI-HXUWFJFHSA-N 297.508 4.977 30 10 CJEE CCCCCCCCCOc1cc(C#N)c(N)cc1C 2239454463 IPSZWGZYFNDOIW-UHFFFAOYSA-N 274.408 4.578 30 10 CJEE C=C(CNC1CC1)COCCCCCCCCCCC 2239485894 AOLGUFMAJBNYFQ-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(C)c(F)cc1C(C)=O 2239505417 ZRNLQSZIKJBTKZ-CQSZACIVSA-N 278.367 4.850 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@H]1CNC(C)C 2239511181 SHRDIOAXBVZEQL-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@@](C)(C(=O)O)C1(C)CCC1 2239530305 OTEXKBVJOAMNHX-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCCCO[C@@H]1CCN[C@H](C)[C@@H]1C 2239556201 GIBKGBGTRLQEMS-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCOC(F)(F)CNC1CC1 2239557061 PUYPZJZHMOPDEU-UHFFFAOYSA-N 291.426 4.879 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ncc2ccsc2n1 2240622647 WCLYGNOOKLLMQP-MRXNPFEDSA-N 292.448 4.649 30 10 CJEE N#Cc1c(Cl)cccc1NCc1ccc2occc2c1 2241130663 RLNVGHNZUJYMMH-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE C[C@H]1CCC[C@H](CCC2(C#N)CCSCC2)C1 2246664116 OHQAUFIXVACHDO-UONOGXRCSA-N 251.439 4.630 30 10 CJEE Cc1cc(N[C@@H](CC#N)C(C)C)c(Cl)cc1Cl 2252626264 FKIAHAQOBYOZQS-LBPRGKRZSA-N 271.191 4.652 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCCC[C@H]2C[C@@H]2C)C1 2257304095 QIGNWVDPAYJSHC-VVLHAWIVSA-N 250.426 4.988 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC 2258976026 NLPJFBKNCHCUMK-HRCADAONSA-N 269.498 4.633 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](NCC)C1 2259060804 QDCXMIJZEVRYLS-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE CCCCCCCCC[C@H](C)NC1CC(SC)C1 2263713920 XSUOXDFPQCXITJ-FHERZECASA-N 271.514 4.999 30 10 CJEE O=C[C@@]1(CC[C@H]2CCCCC23CC3)CCC12CCC2 2264932374 SAEMWJXCDYIZOR-CRAIPNDOSA-N 260.421 4.886 30 10 CJEE C#CCCN(CC[C@H]1CCC[C@H](C)C1)CC(C)(C)C 2265025897 JTLXCBOVEGMRHE-DLBZAZTESA-N 263.469 4.574 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCC[C@@H](C)C1)NN 2265060616 ZYSXWTHRIWEQBN-IXDOHACOSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@](C)(N)c1cc2cccnc2s1 2265453684 NLGGHFXXAYZVLF-MRXNPFEDSA-N 276.449 4.831 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cc(OC)ccc1Cl 2269034763 VORCIPKKVDPCKC-MRXNPFEDSA-N 282.811 4.677 30 10 CJEE C[C@@H]1CC(C#N)(CCCCC[C@@H]2C[C@H]2C)C[C@@H](C)O1 2269521236 ZHLYKSGZXWQTEW-KLHDSHLOSA-N 263.425 4.690 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2269708387 TXTCPFKIRVMELV-TVQRCGJNSA-N 291.744 4.832 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NC 2271495594 OJVWTVKMXNUPIH-ARFHVFGLSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(F)c1F 2271781382 OFOWYOZRTJYMLU-HNNXBMFYSA-N 267.363 4.752 30 10 CJEE C=C(C)CCCC[C@H](NC)C1CC2(C1)CC21CCC1 2271782281 WJCWILXMFLNCTF-PQUAAJSLSA-N 261.453 4.681 30 10 CJEE C=C(C)CCCCn1c(CCC)nc2ccccc21 2271836401 GEYCXENJKJCPDP-UHFFFAOYSA-N 256.393 4.735 30 10 CJEE CC(C)CCC[C@@H](C)CCO[C@@H]1CCCCC1=NO 2272260172 IMDOGAUFYBOTJU-GDBMZVCRSA-N 269.429 4.628 30 10 CJEE C#CCCN(CC[C@@H](C)CCCC(C)C)C(C)(C)C 2272299937 ACEQUYCPYVBVFG-KRWDZBQOSA-N 265.485 4.963 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cnc(C(C)(F)F)s1 2273563193 YKJNKVKSBXBYTC-GHMZBOCLSA-N 288.407 4.508 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1(CCC)CC1 2274121885 ORQNKXOXISBLSI-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CC(C)(C)CNCc1c(C)c(C)c(C)c(C)c1C 2277439932 ZDBQPYCTGBLXQZ-UHFFFAOYSA-N 259.437 4.531 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1cccs1 2278174833 APPMVIXFNVAZMF-MRXNPFEDSA-N 282.449 4.823 30 10 CJEE CC#CCC[C@@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279603393 TVSICEVLAYDIDD-RBSFLKMASA-N 289.385 4.527 30 10 CJEE C[C@@H]1CCC[C@@H](CCN(CC#N)C2CCCCCC2)C1 2279817203 ZQURFTPTUYFBPH-SJORKVTESA-N 276.468 4.751 30 10 CJEE Cc1cc(NCC2C[C@@H](C)C[C@H](C)C2)cc(C)c1C#N 2280561479 KSDWZAPPUMNVKU-STQMWFEESA-N 270.420 4.659 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCC[C@@H](C(C)(C)C)C1 2284076682 PEFQWLQPFQQCHZ-VQIMIIECSA-N 276.464 4.950 30 10 CJEE CNC[C@]1(CC=CC#CC(C)(C)C)CCCC(C)(C)C1 2284080797 RRAIZZBDRVVMOV-LJQANCHMSA-N 275.480 4.788 30 10 CJEE CC[C@H](CC(F)(F)F)[C@H](CC=CC#CC(C)(C)C)NC 2284160716 WOMAJUKRSKXSNS-KGLIPLIRSA-N 289.385 4.549 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC1(F)CCC1 2284171771 WSTQNCKNFRHSSZ-INIZCTEOSA-N 279.443 4.633 30 10 CJEE CCCCCCCCC[C@H](O)c1ccn(CCCC)n1 2285072839 RLDUTERIAYBAIQ-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1nc(C)cc2sccc12 2286129809 WASJAJKBFIYBAX-WFASDCNBSA-N 288.460 4.858 30 10 CJEE C=CCCCCCCCSc1c(N)c(C)nn1C(C)C 2287180545 CVJHGQLLVJXDBT-UHFFFAOYSA-N 295.496 4.973 30 10 CJEE C=CC1(NCCCCCCCCCCCCO)CCC1 2289423895 IHSJRJCZYMPOOT-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE CN(CC#CC1CCCC1)C1CCC2(CCCC2)CC1 2289858507 BXAKAHFMWMLGRZ-UHFFFAOYSA-N 273.464 4.615 30 10 CJEE CCCCCCCC[C@H](C)NCc1nc(C(C)C)ns1 2290604635 PNYNMFISXQEHJB-AWEZNQCLSA-N 297.512 4.890 30 10 CJEE C=CCCC[C@@]1(OCC(=O)O)CCC[C@@H](CCC)CC1 2290649326 WCRPRDUEJWLDOQ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCCC12CCC2 2290926393 WZJUHAHEYZCXJG-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE Cc1ccc(-c2ccc(C=CC(=O)c3ccco3)o2)cc1 2293034826 VPRFGCYDONNHDN-UHFFFAOYSA-N 278.307 4.744 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CCC(F)(F)C1 2293207286 FRESBNFPUQDMBH-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE C=C([C@@](CC)(OCCCN)C1CCCCC1)[Si](C)(C)C 2293322378 MYYHHLVIWAWURZ-QGZVFWFLSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)C[C@@H]2C[C@@H]2C1 2293464108 RTUINAFVGINBKW-BCDXTJNWSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCCCC1(F)F 2294357232 RSRKZDMJVPYRDI-OAHLLOKOSA-N 291.426 4.660 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1ccc(C)o1 2294564760 HVJMSJLESTYCHF-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(O)C#Cc1ccccc1Cl 2295234560 MTSPLFRGKUYVIS-AEFFLSMTSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC12COCC(C1)C2 2295578367 HKPVFZMAQDCYPE-LXPRWKDFSA-N 281.484 4.661 30 10 CJEE CSc1ccc(NC=CC(=O)c2cc(C)ccc2C)cc1 2296876232 DTOWATHTCABPCK-UHFFFAOYSA-N 297.423 4.834 30 10 CJEE Cc1ccc(C(=O)C=COc2ccc(Cl)c(C)c2)cc1 2297562517 BLZATCSHUKWWBK-UHFFFAOYSA-N 286.758 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1sccc1C 2304024815 OCIXGEUJWSFFQH-GJZGRUSLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)ccc1Cl 2304050488 YOADZAVEUSWMOE-ZIAGYGMSSA-N 272.219 4.986 30 10 CJEE CCC(C)(CC)COC[C@@](C)(CS)C(C)(C)C 2307145049 MIAFTMATSOTWMU-HNNXBMFYSA-N 260.487 4.812 30 10 CJEE CSC1CC(OCCCCCCCCCS)C1 2307842384 CZKLRRDHJJQRSN-UHFFFAOYSA-N 276.511 4.558 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2309125910 MJGHWZSEVMXJLO-YIYPIFLZSA-N 255.352 4.778 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1CF 2310934225 MGEUOGZLMVZXHB-BZUAXINKSA-N 257.437 4.711 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2311491441 HRCTXGUBZRTAMX-XLNGHYISSA-N 250.426 4.556 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@]12CCCC[C@@H]1CC2 2313305424 UIAWTLSYOGENCE-BRWVUGGUSA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1[C@H](C)C[C@H]1C 2321096330 QRFAYNRJNRKZPX-SRABZTEZSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(F)cc(Cl)c1 2321142034 SDZSZSHIDXJGRR-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@H]1CCC[C@H](C)C1 2321231164 CYHWIDLPRPOMAG-HZMVEIRTSA-N 252.442 4.946 30 10 CJEE C=CCC(CC=C)Sc1ccccc1[C@@H](C)NCC 2335231794 LIBAURAFQXFRPD-CQSZACIVSA-N 275.461 4.970 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCCC)CCC12CCC2 2338743195 CNVNCYUCHOAWHP-SFHVURJKSA-N 261.453 4.705 30 10 CJEE C=CCC(CC=C)C[C@@H](NCCC)c1ccccc1 2338744964 SHMSEXRCCZBWQP-GOSISDBHSA-N 257.421 4.886 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338788510 WSIYYJLBBUDNIS-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2339081009 FNAUKTZJUYJBLF-QAETUUGQSA-N 260.421 4.908 30 10 CJEE CC1(C)C[C@@H]1C#C[C@H](N)c1ccc(-c2cccs2)s1 2339558304 ZEDKFEWQLVVXKO-RYUDHWBXSA-N 287.453 4.526 30 10 CJEE CC(C)c1ccc(F)cc1NCC#CC1CCCC1 2340241447 HPSKSSRESUJELQ-UHFFFAOYSA-N 259.368 4.555 30 10 CJEE CCCCCCCCCCOC[C@@H](O)CC1CCC1 2340846903 QBLWGFJALPSUOW-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE C=CCCC[C@@](O)(CC)c1ccc(C(F)(F)F)cc1 2343778516 AAYVJHPHCJUVNV-AWEZNQCLSA-N 272.310 4.659 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1csc(COC)c1 2344337619 SETVPHCASTXJHJ-JKSUJKDBSA-N 281.465 4.538 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)NCCC 2344340053 OGSBYNDWJAYPNT-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cnc2sccc2c1 2344381894 ODSSHGRPPHTUML-HOCLYGCPSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C2CCC2)cc1 2344386006 SZKNHPAGRKLBHD-MSOLQXFVSA-N 257.421 4.946 30 10 CJEE C[C@@H](C[C@@H](C)C(F)F)N(C)C[C@](C)(CS)C(C)(C)C 2352069506 TVLWOUOBOPKLDY-TYNCELHUSA-N 295.483 4.580 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccccc1F)[C@H](N)CC 2360198574 KUEUEHBHGZIKNV-SJORKVTESA-N 293.451 4.858 30 10 CJEE CC(C)c1ccc(-c2nc3ccc(Cl)cn3c2C#N)cc1 19767511 QRTVBNJUDDTLAE-UHFFFAOYSA-N 295.773 4.650 30 10 CJEE Cc1ccc(OCc2cccc(C#N)c2)c(C(C)(C)C)c1 20019513 JPNDXWSLXBJHSP-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE C#Cc1cccc(N[C@H](C)c2cccc3ccccc23)c1 20549101 AMQXDHPZOOFJAN-OAHLLOKOSA-N 271.363 4.994 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973154 HOLFTLFJHPFTIR-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154474 BKUSSSRRUUQCPS-OFQRWUPVSA-N 259.418 4.806 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 37935582 FZWHERNQPLXJPT-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1c(F)cccc1Cl 37936094 NTEHLAHSNUBHOU-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE N#CCc1c(-c2ccc(F)cc2)cccc1C(F)(F)F 47205209 JRKIDYFYOKLLAA-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE N#C[C@@H](C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 49898010 SNFWFRXGYULTAF-GFCCVEGCSA-N 296.197 4.750 30 10 CJEE CCc1ccc(OCCC[C@@H](C#N)c2ccccc2F)cc1 57686410 CAVOUXMSMGEUQX-INIZCTEOSA-N 297.373 4.854 30 10 CJEE CCCCCCC[C@H](C)NCc1cccc(F)c1 59090462 VXAIYESLFHTVED-AWEZNQCLSA-N 251.389 4.664 30 10 CJEE CCCCCCCCCOc1cc(CNC)ccc1OC 59178884 FFFNVIYCTHSFRZ-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CC(C)(C#N)CCNc1ccc(Cl)cc1C(F)(F)F 87590936 DPWKUMHOBBHIHA-UHFFFAOYSA-N 290.716 4.711 30 10 CJEE N#Cc1ccc(CNc2c(Cl)cccc2Cl)c(F)c1 88171092 MKBYUIYNFCYFLT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCc1cc(OCC[C@H](C)CCS)ccc1Cl 94584440 DBKRYXJWTJKMSD-NSHDSACASA-N 272.841 4.627 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc2cccnc12 97219687 OVZNXMJERPYDSC-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccccc1Br 107495533 ZJWONISCGUJFEW-RYUDHWBXSA-N 265.194 4.602 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCC[C@H]1C(C)(C)C 109945440 NXJZUQKSNLROML-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCCOC1 110170203 IGCLBCLTTOHUQL-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCC[C@@H](CNC)Cc1ccccc1F 110191969 KNSYWWVJGHBZRV-OAHLLOKOSA-N 265.416 4.564 30 10 CJEE CCCCCCCCN1C[C@@H](CC)NCC1(CC)CC 114349075 FNCKRXIYORAENL-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(N(C)C)CCC[C@H](C)C1 118184828 MBCKSOBDBBACGI-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 122823119 QSEJQMRCZGTLLO-MANSERQUSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)CCO[C@@H]1C 125313213 QPFNIYHPOVNAPM-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(Br)cc1C 125640633 CUUYDWRBLLFNJP-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ncc[nH]1 126803084 LVAATRALALSRLB-HNNXBMFYSA-N 265.445 4.591 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](OCC)C(C)C 128333553 ZHGSKHMTJYMESX-DLBZAZTESA-N 271.489 4.906 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1ccccc1Cl 132729817 MXMOPOLGHMEBGJ-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccncc1OC 134647251 VHQHRQHSKANFBT-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE CCC[C@@H]1CCCCN1c1cccc(SCC)c1C#N 136692403 NQUACUDCUMHGHP-CQSZACIVSA-N 288.460 4.829 30 10 CJEE CCCCCCCC[C@H](NCC)[C@](C)(CC)OC 163526565 JVFDCMNASZCASX-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=C(C)CCC(=O)c1ccc(Cl)c(Br)c1 169135320 CYUYEHYPTYEAAR-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CC1CCC1 189889849 LGQFQPOBUDWCKI-UHFFFAOYSA-N 271.404 4.667 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(C)c(C)c1 211876912 YYPGLSZNBJNDCL-KRWDZBQOSA-N 271.404 4.696 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2nc3ccccc3s2)C1 228475235 BGMBLZDLEPWAMZ-DYVFJYSZSA-N 284.428 4.949 30 10 CJEE C#CCCCCNCc1c(Cl)ccc(Cl)c1Cl 229643894 DIXACEMUNCJVJN-UHFFFAOYSA-N 290.621 4.540 30 10 CJEE C=C(CC)C[C@H](NC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229753589 IAGMJAXCVJKKFG-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCOc1cc(CN)ccc1C 232311658 HXRCPDHYNQDZGI-UHFFFAOYSA-N 263.425 4.583 30 10 CJEE O=C(C1=CCCCCC1)c1cscc1Br 232485203 PLSJERSNEKGKKM-UHFFFAOYSA-N 285.206 4.584 30 10 CJEE CCCCCCCCNc1nc(NC)nc2sccc12 232947834 MAMJRWCJGXQZBP-UHFFFAOYSA-N 292.452 4.505 30 10 CJEE C=CCCCCC[C@H](CC[C@@H]1CCCCO1)NCCC 233163434 PKVSEQPLZSWETG-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](O)C1(C#N)CCC(C)(C)CC1 235853064 KIZNBFUGRJTMCT-OAHLLOKOSA-N 291.822 4.792 30 10 CJEE Cc1cccc2sc(Nc3ccc(C#N)cc3Cl)nc12 235933257 YQGHHTQGDYOASL-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2Cl)c(F)c1F 236212505 WLQXBTZOYIVVCR-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE Cc1cc(O)c(N=Cc2c(O)ccc3ccccc23)cc1C 254330935 UQHXIULRCPRPAQ-UHFFFAOYSA-N 291.350 4.618 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cn[nH]c1 311457915 UWAYZMOCCVMHJU-MRXNPFEDSA-N 266.429 4.754 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2cc(Cl)ccc2[N+](=O)[O-])C1 312230115 DJYFKTVBDACYDE-IAQYHMDHSA-N 292.766 4.610 30 10 CJEE CCCC1CCC(C#N)(c2nc(C(C)(C)C)ns2)CC1 312323671 YBGCTUJTZNOIPU-UHFFFAOYSA-N 291.464 4.587 30 10 CJEE CCCCCCCCCCCC[C@]1(CO)CCCO1 315153468 DPMCRSVMAXPKFE-QGZVFWFLSA-N 270.457 4.839 30 10 CJEE C=CCCC1(CNCCC)CCC(C(C)C)CC1 318720422 FDYFUTMALGYUPR-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCNCC(CC)(CC)OC 388874479 CPXWRZHWCDVRTP-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccccc1C(F)(F)F 393750512 QYJISGBSCRVQDF-VXGBXAGGSA-N 271.326 4.711 30 10 CJEE N#C[C@@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CC1 397479235 KQTHFUPQGVORCV-QMMMGPOBSA-N 289.593 4.608 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 398089799 XCSPPKQZKCSTGP-IZNXWIIVSA-N 275.480 4.926 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 399188302 WIQNUWMFZUVPSK-UWVGGRQHSA-N 298.213 4.852 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@](C)(O)c1c(Cl)cccc1Cl 400827099 VCMRDPNCRFKFGF-KMUNFCNLSA-N 298.213 4.531 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2cnsc12 402896361 DYPBDVNJDBIEAR-CQSZACIVSA-N 263.406 4.690 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cscc1Br 404790449 RARIIFPDYZJRIM-GFCCVEGCSA-N 288.254 4.518 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc[nH]c1C(C)C 521634786 VHWQMRSMFWQSBB-UHFFFAOYSA-N 282.387 4.509 30 10 CJEE N#Cc1ccc([C@@H]2CCCCCN2Cc2ccccc2)cc1 616622364 BOTQRSSCASRETR-FQEVSTJZSA-N 290.410 4.676 30 10 CJEE C#CCCCCC[C@H](NCC)c1sccc1CC 686689464 MIPUEBUILUWMMN-HNNXBMFYSA-N 263.450 4.545 30 10 CJEE CC(C)(C)C#CCC1(CN)CC(C)(C)CC(C)(C)C1 688322296 MXZBFSSBVKFDGD-UHFFFAOYSA-N 263.469 4.607 30 10 CJEE Cc1sccc1[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688342681 QAZGAMOOWDLPON-AWEZNQCLSA-N 291.460 4.836 30 10 CJEE CCCCCCC[C@@H](C)NC1CCC(F)(F)CC1 688471345 HBVBTJWEVPQHRY-CYBMUJFWSA-N 261.400 4.903 30 10 CJEE Cc1ccc(NCc2ccc(Cl)c(Cl)c2)c(C#N)c1 689224922 PVLTUZYGPDPZLK-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=CCCSCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1 696045072 PYPOKBUZLARHOM-CVEARBPZSA-N 283.525 4.880 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1ccc(Cl)cc1C#N 702297938 UBUZPBSJWPPRRC-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE CCC(Nc1ccc(C#N)cc1Cl)(C1CC1)C1CC1 704612210 XDRJORFOZPNUSN-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCCCC[C@@H]2C)CC1 709141183 GEMKMYKNHOHUMI-BFWZDYSYSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc2c(n1)CCCC2 712323145 PULXOPVOIBOBJE-GDBMZVCRSA-N 270.420 4.507 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@]1(O)C1(C#N)CCC(C)(C)CC1 713120337 PJHRCPZIGMJRDH-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc2c(s1)CCCC2 715812702 HNUCYDMWMCZTEE-GUYCJALGSA-N 277.477 4.880 30 10 CJEE CCC[C@H]1CCS/C(=N/CCCC2CCCCC2)N1 716824798 WRTRHTXDFJHNKF-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE CCCCCCC[C@H](N)CCCOCc1ccccc1 719182342 JQQVEXWOLSYWOG-SFHVURJKSA-N 277.452 4.671 30 10 CJEE C=CCCCCCC1(CNC(C)C)C[C@@H](C)O[C@H](C)C1 724226629 KACNWQBNRNXNGW-IAGOWNOFSA-N 281.484 4.695 30 10 CJEE CCCCCCC[C@@]1(CNCC)C[C@H](C)O[C@H](C)C1 724293278 VNARAXJLKLQVES-FVQHAEBGSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](N)C2(c3ccccc3)CCC2)CC1 724550459 ROEFNZMJAJOBHR-SFHVURJKSA-N 269.432 4.572 30 10 CJEE C=C1CCC(C[C@H](N)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 724608082 SEFIGMKCJFDLST-ZNMIVQPWSA-N 289.385 4.819 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(C)c(C)c1Cl 1126324979 HSCYRXPKRNSKCF-UHFFFAOYSA-N 293.838 4.775 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](CC)c1cc(C)ccc1OC 1127448765 ZSMYJLPBMBMWHN-GDBMZVCRSA-N 290.403 4.600 30 10 CJEE C=CCC[C@H](C)NCc1c(CC)ccc2ccccc12 1207502560 XHLQBBFLJHLMRV-HNNXBMFYSA-N 267.416 4.847 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@H](CC)C(C)(C)C 1360895265 WCXJQYLHXJGHIU-HNNXBMFYSA-N 267.457 4.654 30 10 CJEE C=CCCCCCCCNC(=O)CC1CCCCC1 1436592898 YONJPLXPEOYSTA-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CCCCCCN(C)c1nc2c(C)cccc2s1 1472704157 TZTFYMROTJJSFM-UHFFFAOYSA-N 274.433 4.787 30 10 CJEE C=CC[C@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 1473627894 TZWJELOTCGXXHF-GUYCJALGSA-N 275.823 4.615 30 10 CJEE C=CC[C@@H]1CCN(CC2CCC(c3ccccc3)CC2)C1 1473674026 XQHGOLRUXQZZMF-PGYGNJIDSA-N 283.459 4.858 30 10 CJEE C#Cc1ccc(NC[C@@H]2CCCC(C)(C)C2)c(Cl)c1 1474285334 YLVFFRWVNFCWPX-CQSZACIVSA-N 275.823 4.950 30 10 CJEE C=C1CCC(C(=O)N(c2ccc(CC)cc2)C(C)C)CC1 1527555965 JSYNGODJZCTZIX-UHFFFAOYSA-N 285.431 4.737 30 10 CJEE C#CCCCC(=O)O[C@H](c1ccccc1)C1CCCCC1 1529246012 NXNGVZUWJZWUJN-LJQANCHMSA-N 284.399 4.655 30 10 CJEE C=C(C)C(C)(C)C(=O)N(CC)C[C@H](CC)c1ccccc1 1539101319 ZLOWZZUQNAMNBL-INIZCTEOSA-N 287.447 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 1585977660 NYYGFFKVGCHMKQ-IIAWOOMASA-N 271.404 4.731 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(CCCC)cc1 1587776943 WWKQMSNWXPEPKC-UHFFFAOYSA-N 287.447 4.751 30 10 CJEE C#CCCOc1ccc(CNc2cccc(C(=C)C)c2)cc1 1621097067 OUMVXLHQPXQKBY-UHFFFAOYSA-N 291.394 4.734 30 10 CJEE C#CCCCCCCNc1cccc(O[C@@H](C)CC)c1 1621356219 ULEOJBSVJNHXFG-INIZCTEOSA-N 273.420 4.860 30 10 CJEE C=CCCN(Cc1ccccc1F)c1ccc(F)cc1 1642142228 MHYAONVKIXXLAF-UHFFFAOYSA-N 273.326 4.548 30 10 CJEE C=CCCCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C 1644650253 VWAQDDNRQAIFPJ-PKOBYXMFSA-N 287.447 4.503 30 10 CJEE C=CC[C@H]1CCCN(C[C@H]2CCC3(CCCCCC3)O2)C1 1647406091 ZOEPJQHUXSZKLI-ZWKOTPCHSA-N 291.479 4.547 30 10 CJEE C#CCN(CCCCCCCC)[C@@H]1CCc2ccccc21 1652347759 ODQZYDZAXSCMQK-HXUWFJFHSA-N 283.459 4.970 30 10 CJEE C=C1CCC(CNC[C@H](CC)c2ccccc2)CC1 1657955055 RRJASNJCFPMDRP-KRWDZBQOSA-N 257.421 4.516 30 10 CJEE C#CCCCCCCN[C@H]1CCCc2ccc(C)cc21 1658249570 NHARODDIOAHBQG-IBGZPJMESA-N 269.432 4.546 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1CCCC(C)(C)C1 1658356571 HAIOUHPIAVCWJP-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1N(CC[C@H]2CC2(Cl)Cl)CCCC1(C)C 1658466811 YBFXOAUAXKEETA-STQMWFEESA-N 290.278 4.637 30 10 CJEE C=CC(C)(C)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1664747087 SOSVJGVPJPDYPW-STQMWFEESA-N 265.828 4.634 30 10 CJEE C=CCCC(C)(C)NCc1c(C)cc(Cl)cc1C 1665307507 LISCJVJPJYWPNZ-UHFFFAOYSA-N 265.828 4.791 30 10 CJEE C=CCN(C(=O)Nc1cccc([C@H](C)CC)c1)C(C)C 1673194416 GHLWNJQVHHWVBL-CQSZACIVSA-N 274.408 4.628 30 10 CJEE N#CCc1cc(Cl)cnc1-c1ccc(Cl)c(Cl)c1 1848375871 HNQPLEXGKTUEGL-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C1CCC(C[C@@H](C[C@H](C)P(C)(C)=O)NCC)CC1 1877352671 USOUQUIZCBEUAY-GOEBONIOSA-N 285.412 4.502 30 10 CJEE CC#CCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 1885236080 IZHZRILGZOPNPK-AWEZNQCLSA-N 299.245 4.623 30 10 CJEE CC#CCCCC[C@H](O)C1CCC(CCCC)CC1 1885244846 OCVYFUIBVKZEJV-ABHNRTSZSA-N 264.453 4.928 30 10 CJEE C#C[C@@H](N[C@@H](CC)C1CCC(C)(C)CC1)C(C)(C)C 1892880141 ZRPHXBRDUURLMS-JKSUJKDBSA-N 263.469 4.619 30 10 CJEE C[C@@H](CCC(C)(C)C)N=C1N[C@H](C(C)(C)C)CCS1 1912085436 RCOPVRMRHNOTBO-STQMWFEESA-N 284.513 4.698 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccc(OCCCCC)cc1 1919627419 MGWUVLXTYHCOFF-PBHICJAKSA-N 262.393 4.501 30 10 CJEE CCCCCCCCCCSC(=N)N1CCCC1 1920924717 JGKAZAPSFKIIFJ-UHFFFAOYSA-N 270.486 4.891 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCC)[C@H](C)CCC 1921130629 BHNCDMSNKDRULY-IKGGRYGDSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)C1=CCCCC1 1921145247 VEDWKIJOEJBPJJ-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=C([C@H](NCC)[C@@H](C)C1CCCCC1)[Si](C)(C)C 1924113555 UGEHOMTWOQRBMO-XJKSGUPXSA-N 267.533 4.615 30 10 CJEE CCCCCCC[C@@H](NCC)C1CC(C(F)F)C1 1925181424 CQLHFHDXHREFGV-JXQTWKCFSA-N 261.400 4.616 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)c1cc(F)cc(C#N)c1 1931998343 JOVXXYXHVZJZJD-OAHLLOKOSA-N 296.389 4.748 30 10 CJEE N#Cc1c(Cl)cccc1NCc1sccc1Cl 1942342123 OWEJICQJJQVSNY-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C[C@@H](C#N)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1951377217 PHCLGQFZMRYBNS-LBPRGKRZSA-N 296.370 4.814 30 10 CJEE C=CC[C@@H](C)Cc1cc(Cl)cc(Br)c1 1955006518 XPIVUIVDHGXPGI-SECBINFHSA-N 273.601 4.857 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)CCCC12CC2 1957115662 AVWPZPGYAHEVCD-VQIMIIECSA-N 283.415 4.703 30 10 CJEE C=CC1(CNc2cccc(C)c2Br)CCC1 1980021538 FUCSJFWQHIPHSG-UHFFFAOYSA-N 280.209 4.526 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1cc(Cl)c(Cl)s1 2000521477 VLADQFARUBRLDR-JQWIXIFHSA-N 292.231 4.808 30 10 CJEE N#CC1(COc2c(Cl)cc(Cl)cc2Cl)CCC1 2001580568 JRZFTBSBLAWENE-UHFFFAOYSA-N 290.577 4.719 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(C)c(Br)c1 2002051229 LPNUALXHHNDRHY-OLZOCXBDSA-N 296.252 4.763 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(Cl)ns1 2002117852 YSGXNFCWFZLORL-NSHDSACASA-N 272.845 4.584 30 10 CJEE C=CC[C@@H](C)C[C@H](NCC)c1ccccc1Cl 2003673294 XQJMAGPBFVLZCY-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE C=C(C[C@@H](NCCC)c1cccs1)[Si](C)(C)C 2003680363 MICKANYQIAWPCL-CYBMUJFWSA-N 267.514 4.613 30 10 CJEE C=CCCCC[C@](N)(CC)c1ccc(Cl)cc1 2009483408 BHXFCXBDPPDDKI-OAHLLOKOSA-N 251.801 4.650 30 10 CJEE C=CCN(CC)CCSc1cc(Cl)ccc1Cl 2019294659 BPFKULITIJSIEV-UHFFFAOYSA-N 290.259 4.593 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCS[C@H]1C 2020589337 CPSTWXDZNDAHRL-KKUMJFAQSA-N 257.487 4.609 30 10 CJEE C=CCCCCCCC(=O)c1ccncc1Br 2026019049 HHODMXFVPQAFCL-UHFFFAOYSA-N 296.208 4.553 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](CC)C(C)C 2028253102 TXUBOGKQDMWRQB-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE CC1(Nc2cc(Cl)ccc2C#N)CCCCCC1 2033412554 CHIXPSHZHUZNEL-UHFFFAOYSA-N 262.784 4.736 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1(CC(F)(F)F)CCC1 2034490960 KLGWMKBBKLHHEF-LLVKDONJSA-N 283.765 4.620 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1[C@H](C)C1(F)F 2036069264 WZCLDZVAHACVJU-MELADBBJSA-N 262.384 4.779 30 10 CJEE CCCCCCC[C@H](NC)C1CC(C(F)(F)F)C1 2037031671 DXKHZOMVRZAZFB-BPCQOVAHSA-N 265.363 4.523 30 10 CJEE CC(C)(C)OCCCCCC1(C#N)CCCCC1 2037970100 OGBXKJFXAHVYHC-UHFFFAOYSA-N 251.414 4.836 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC[C@@H]2CC2(F)F)CC1 2039381587 RJZNBQYRYSGENP-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE CCCCCCCC1(F)CCC2(CC1)C[C@H]2CN 2040484561 CANHIQHJNVQVFZ-FHERZECASA-N 255.421 4.594 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@H](CC(C)C)C(C)C 2040521537 HPRZWMSQOWBNPC-GVDBMIGSSA-N 253.474 4.885 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1ccccc1Cl 2040525936 MGWWXZUJGYFNRQ-CJNGLKHVSA-N 265.828 4.983 30 10 CJEE O=C(C=Cc1ccccc1)c1cc(Cl)cc(Cl)c1O 2040779941 LSHZXPCSBYGETG-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1[C@H]2CC[C@H]21 2042005341 WRCZYPBJZQNSFE-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE C=CCC[C@H](C[C@@H](CC)CC(F)(F)F)NCCC 2043187857 OUYLBIGXNSHQCI-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE CC1(C)CCC(C=O)([C@@H]2CCCC(F)(F)C2)CC1 2045377177 GDBTTZGFJVRKGH-GFCCVEGCSA-N 258.352 4.597 30 10 CJEE C=C1CCC(C[C@H](NC)C(CC)(CC)CC)CC1 2045718194 GEBIRPYCEBELHP-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C(Cl)C[C@H](NC)c1ccc(SC(F)(F)F)cc1 2045736272 UHVDBVYIZRXTTN-NSHDSACASA-N 295.757 4.702 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(Cl)sc1C 2045991884 DMODURCTGCNGGV-KGLIPLIRSA-N 285.840 4.854 30 10 CJEE CC(C)CO[C@H](C)C[C@]1(C#N)CCCC(C)(C)C1 2049509301 SHHYWQJGENVNBH-GDBMZVCRSA-N 251.414 4.548 30 10 CJEE CCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1O 2052820579 LLZUYQPGMUKHHU-RVKKMQEKSA-N 274.385 4.501 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H](C)C1CCCCC1 2059110963 GGGNZDHWFSFKBC-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@H]2CCCC(F)(F)C2)CC1 2061195882 OAPCJAPHFFMXSS-AAEUAGOBSA-N 256.336 4.518 30 10 CJEE CCCCCCCCCc1nc(S)cc(CC)n1 2067718837 QOVLJMZSXLCMHZ-UHFFFAOYSA-N 266.454 4.621 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274.726 4.657 30 10 CJEE C=C(Cl)CO[C@@H]1CCCCCCCCCC[C@@H]1NC 2122043132 AUOJNHCUGQUMMI-JKSUJKDBSA-N 287.875 4.627 30 10 CJEE C=C1CC(CC[C@H](CNC(C)C)c2ccccc2)C1 2125687159 GVJGTWGOCPANMB-GOSISDBHSA-N 257.421 4.515 30 10 CJEE CCCCCCCCCCCCO[C@H](C)[C@@H]1C[C@H]1N 2125868528 XGXDOWFWJSCCJZ-IXDOHACOSA-N 269.473 4.660 30 10 CJEE C[C@@](C#N)(C[C@H]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 2126956861 LZMNRKHENXHALX-CUSZFKRNSA-N 253.389 4.684 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCC(F)(F)C1 2128446322 INFWTCWCNCGZFG-XQLPTFJDSA-N 265.347 4.698 30 10 CJEE C=C(C)CN(Cc1nc(C)c(C(C)(C)C)s1)C(C)C 2129905691 IFWMJHQGTGDNFO-UHFFFAOYSA-N 280.481 4.536 30 10 CJEE CC(C)(C)CC1CC(OCCCCC(C)(C)C#N)C1 2131774002 PBYMNTQLUVJOHD-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C#CC[C@H](NC(CCCCC)CCCCC)C1CC1 2132059496 DKRTVNCQOYNIEA-SFHVURJKSA-N 263.469 4.907 30 10 CJEE CC(C)=CCC[C@](C)(O)C1(C#N)CCC(C)(C)CC1 2133952878 LEMWSNIXZIFXAL-INIZCTEOSA-N 263.425 4.594 30 10 CJEE CCCCCCCCCCN=c1[nH]ccc(C)c1F 2134593759 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277.452 4.962 30 10 CJEE CCCCCCCCC[C@H](O)C1(N)CC2(CCCC2)C1 2190050141 CGFQNEPQJPGXDY-INIZCTEOSA-N 281.484 4.540 30 10 CJEE CCCCCCCCC[C@H](NC)C12CCC(CC1)OC2 2192893118 XOVUBUJDSCHLTP-ADKAHSJRSA-N 281.484 4.674 30 10 CJEE CCCC1CCC(CN(C)C2(C#N)CCCCC2)CC1 2193058875 HQFIFHYMXCPRRO-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1COC(C)(C)C1 2195682729 SIMFTMDXODYYJA-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE C=CC[C@H]1CCCN1CCC12CC3CC(CC(C3)C1)C2 2195956514 WGGOFXVGQJUJBH-NNGLDNROSA-N 273.464 4.633 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@]23CC[C@@](C)(C2)OC3)CC1 2196127485 MOYLBIXQEUCYIF-OKZBNKHCSA-N 278.436 4.511 30 10 CJEE CC#CCCCC[C@H](NCCC)C(F)(F)C1CCCC1 2196172702 VSWJKFNZHGDGIY-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCCCCCCN(C)CC[C@@H](N)c1ccc(Cl)cc1 2196739404 QYDZVGWZWGWHMA-QGZVFWFLSA-N 296.886 4.632 30 10 CJEE C#CC[C@H](C[C@H](NCC)c1cc(C(F)F)cs1)C1CC1 2196859667 VFGUVZJMIGXSRN-OCCSQVGLSA-N 297.414 4.776 30 10 CJEE CC(C)C1CCC(C#N)([C@H]2CCCC(C)(C)[C@H]2O)CC1 2197066251 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CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1C[C@H](C)O[C@@H]1C 2207436828 NXEGUFKUNDXVMK-MLHJIOFPSA-N 282.468 4.858 30 10 CJEE C=CCCCCCCCCCC(=O)CC1=CCNCC1 2207441461 YJOXMIVFRRXXTP-UHFFFAOYSA-N 277.452 4.562 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC(C)(C)C(C)C)NC 2207460044 XWZNTUPFJSRYSR-DLBZAZTESA-N 285.516 4.758 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)sc1C 2215422336 VOSNSKDDDTVFSF-XHDPSFHLSA-N 251.439 4.618 30 10 CJEE CC#CCCCC[C@H](NCC)c1scc(C)c1C 2218818190 FQYMPZMMNKPBRN-HNNXBMFYSA-N 263.450 4.599 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1C[C@H](F)C1)NC 2220079103 CDAMVAAJIILUIW-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCC[C@H]1CCCC(F)(F)[C@H]1O 2220089452 QDZDJERXTBNYQT-KBPBESRZSA-N 260.368 4.699 30 10 CJEE CCCCCCCCCOc1nc(Cl)c(C#N)s1 2223206026 UVIWDNKYERBEGF-UHFFFAOYSA-N 286.828 4.798 30 10 CJEE CCCCCCCCCCCOC[C@H](CC)CN 2223265606 NLCWHYWCQOHEKH-MRXNPFEDSA-N 257.462 4.519 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC[C@H]2C[C@@H]1C2 2223868901 WZQQAVDZZYIEGB-NXOAAHMSSA-N 251.458 4.904 30 10 CJEE C=CCCCC[C@@H](NCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225318688 QHPWFHPLHMLGQO-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@@H](P(C)(C)=O)C1 2227268289 OIOCWMDQPKJFAH-HZPDHXFCSA-N 286.396 4.809 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CC[C@H](CC)C1 2227286133 MAOQLEBZVMRFMX-ULQDDVLXSA-N 266.473 4.561 30 10 CJEE CN(CC#CC(C)(C)C)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2229834710 XVDQNDLGICLLDR-HZPDHXFCSA-N 263.469 4.573 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)[C@H]1CCCC(C)(C)C1 2230511438 IHEHLQIBDQBINC-CVEARBPZSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCO[C@H](c1cccs1)[C@@H](C)N 2231015213 PBEHJCGGKFRJSK-ZBFHGGJFSA-N 283.481 4.904 30 10 CJEE CCCCCCCCCCOC(F)(F)CNC(C)C 2231018768 JYUKGODOCITZFE-UHFFFAOYSA-N 279.415 4.735 30 10 CJEE C=C(CNC)COCCCCCCCCCCCC 2231025329 LZVPJAMHHSAWRA-UHFFFAOYSA-N 269.473 4.700 30 10 CJEE C=C[C@H](CCCCC)OCc1ccc(C(C)=O)cc1 2231095579 QJRBXKLFCFMIGR-QGZVFWFLSA-N 260.377 4.541 30 10 CJEE C=CCCCOc1cccc(CN[C@@H](C)CC)c1Cl 2231557517 FHYXQMXOTIUZLK-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCCC(=O)CC12CCC(OC)(CC1)C2 2231617039 SISSMNIIDWWOGQ-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccc(C3CCC3)cc2)C1 2231694898 ATXNFPCKMDFMRS-RDTXWAMCSA-N 253.389 4.827 30 10 CJEE CCCC1CCC(C#N)(c2cc(C)c(Cl)cn2)CC1 2232006144 QZVNBAIAVDZWPX-UHFFFAOYSA-N 276.811 4.795 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H](C)c1ccc(C)cc1 2232088649 VQYIMZCKLIYZRC-JZXOWHBKSA-N 259.437 4.679 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc2ccccc2c1 2233781182 FTWHCGBGBLKQNY-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1CCC(C(C)C)CC1 2233781421 HCPANJHEHYIDKR-ABHNRTSZSA-N 277.496 4.867 30 10 CJEE CN(CCCCCC1CC1)C[C@@H](C#N)C1CCCCC1 2234087949 XFWTXJPNGMPEGT-GOSISDBHSA-N 276.468 4.609 30 10 CJEE C=CCCCCCCCC1(N)CC2(C[C@@H]2C(F)(F)F)C1 2235524863 UXGUXDLHCYEUQP-NFOMZHRRSA-N 289.385 4.963 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H](O)CCCC 2235526602 MXYKSYCKMHTJMU-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2235534718 JENWBBPDCUOWHI-BZUAXINKSA-N 285.422 4.736 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H](C)c1ccccc1 2235542437 SFYYMGYFDDHNQG-AEFFLSMTSA-N 274.452 4.539 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CCO[C@H](CCC)C1 2235768507 HUFPDGQAKXKONI-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCC(C)(C)OC[C@@H](NCC)c1ccc(Cl)c(F)c1 2235842740 VKVZAGVQOMQBBC-OAHLLOKOSA-N 299.817 4.501 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@H](C(C)(C)C)C2)c1 2238174907 RMOGUGCIJCZZMN-YJBOKZPZSA-N 270.420 4.906 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CC23CC(C(C)C)(CO2)C3)C1 2238244447 KUXHITDQOFTYBK-VYMRPNJYSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCCOc1cc(N)c(N)cc1F 2239494015 YUEWJWDBTZAWEE-UHFFFAOYSA-N 282.403 4.510 30 10 CJEE CCCc1ccc(C#CCC(=O)CC2CCCC2)cc1 2239741006 JKBKGLCTXJFXRS-UHFFFAOYSA-N 268.400 4.530 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(C2CCC2)cc1 2240371815 CPLCXLUTYYRXOF-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@@H](C)C1(C)CC1 2240572067 GRUNYSGGBOBABB-WMZOPIPTSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(OCc1ccsc1)C(=O)O 2240617622 HJAIIMLACQFOPF-INIZCTEOSA-N 298.448 4.859 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCC1CCCC1 2240638134 QMKNYPMXSKDHJY-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1cc(C)cs1 2240648130 IXYSQCZTARBAOW-IAGOWNOFSA-N 297.508 4.819 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc2occc2c1 2241178393 QTJBUMNNQDJWIL-MRXNPFEDSA-N 269.388 4.523 30 10 CJEE C=C(CC)C[C@@H](O)c1sc(Cl)cc1Br 2242101699 NJPZRAMIFJEEJT-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE C=CCCCCCCCSCCNCCCC 2250019243 QTACSEZIGFQWQW-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE C#CCCCCSCC1(C)CC(C(F)(F)F)C1 2250104099 JOPTXDBHEIMSNK-UHFFFAOYSA-N 264.356 4.502 30 10 CJEE CCC[C@H](CS)CSC[C@@H](CC(C)(C)C)OC 2250119957 WTDZSCVURVFGGR-CHWSQXEVSA-N 278.527 4.517 30 10 CJEE N#CC1(C[C@@H]2CCC[C@@H]2C(F)F)CCCCCC1 2257843334 ZJLVNEGCGKMIRQ-STQMWFEESA-N 255.352 4.922 30 10 CJEE CO[C@@H](CSC[C@@H](CS)C(C)(C)C)CC(C)(C)C 2259063634 WUBOIZIKCMJEIX-CHWSQXEVSA-N 292.554 4.763 30 10 CJEE C=C(C)CCCC[C@H](N)C(F)(F)C1CCCCC1 2259195843 ZRXYUSNGVRCBNF-AWEZNQCLSA-N 259.384 4.666 30 10 CJEE C=C(C)CCCCN[C@H](C)[C@H]1CCCC(C)(C)C1 2259235101 KOXMFQQZTIVBPM-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CCC(C)CC1 2259237849 PRVRGBNKZZVXQQ-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CCCSC1 2259241655 NXZVBYOBCBYULQ-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE C=C[C@@H](NCC[C@@H](C)CCCC(C)C)C1CCC1 2259639771 WUHXZISVQVROAP-DOTOQJQBSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@](CC)(CCC)OCCN 2262659471 GKHCPZOATYDBML-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(Cl)s1 2262988961 WOVVKWOQVVEINA-LBPRGKRZSA-N 289.872 4.778 30 10 CJEE CCCCCCCCC[C@@H](C)[C@H](F)C(=O)OCC 2263660860 KDGOUIQWJMFZFG-KGLIPLIRSA-N 260.393 4.664 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ncc(C(C)(F)F)s1 2264519709 GWYQRGSVORENNI-QWRGUYRKSA-N 288.407 4.508 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)C[C@H]1CC12CCC2 2265195527 OARYGTHLZOVLHR-DNVCBOLYSA-N 285.497 4.974 30 10 CJEE CC(C)CCN(CCC(C)C)CC1(CS)CC(C)C1 2265310740 XMTSGZMNSQDAKS-UHFFFAOYSA-N 285.541 4.727 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(OC)cc1C 2268047971 XFPAULBCHQWTMO-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE C=CCCCCCC[C@H](O)c1cc(OC)ccc1Cl 2268111383 HAQSZWKGIJQMSX-INIZCTEOSA-N 282.811 4.909 30 10 CJEE CC[C@H]1CCC[C@@H](NCC=CC#CC(C)(C)C)CC1 2268751721 BFXOXTWMSCUMOM-DLBZAZTESA-N 261.453 4.541 30 10 CJEE CCCCC[C@H](CC)N(C)CC=CC#CC(C)(C)C 2268833330 KJIPLLRLPXFFJI-KRWDZBQOSA-N 263.469 4.883 30 10 CJEE C=CCCCCCCCSCc1nccc(N)c1F 2271595563 ZLHNAAAWVKLEHA-UHFFFAOYSA-N 282.428 4.563 30 10 CJEE C=CCCCCCCCSC[C@H](NCC)[C@@H]1C[C@H]1C 2271595780 BQBMLISGDABMCC-ZACQAIPSSA-N 283.525 4.880 30 10 CJEE C=C(C)CCCC[C@H](NC)C1(CC(F)(F)F)CCC1 2271781787 RPBFISQYTRFRHH-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE CCCC1CCC(C=O)(CCCCCCOC)CC1 2271853735 JLBAKYULPHRVED-UHFFFAOYSA-N 268.441 4.759 30 10 CJEE CN[C@H](CC#CC1CCCC1)CCC1CCCCC1 2274122485 QXHIOGRXWQEBBZ-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@@H](C)C(C)(C)C 2276210731 ACBPLHHWLXKQAD-CVEARBPZSA-N 269.473 4.539 30 10 CJEE C=CCCCCC[C@@](C)(CC(C)(C)C)OCCCN 2276222024 LIZTYFVMHGKDJQ-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@H](O)CC#CC(C)(C)C 2277875977 KARAGPPVSNLBIV-SNVBAGLBSA-N 290.350 4.548 30 10 CJEE N#CCc1cccc(NCC[C@H]2CCCCC23CC3)c1 2279746860 OBCHPTQNTAPIPX-MRXNPFEDSA-N 268.404 4.525 30 10 CJEE N#CCc1ccc(NCC[C@H]2CCCCC23CC3)cc1 2279751186 PRSGVFCERWHLLC-MRXNPFEDSA-N 268.404 4.525 30 10 CJEE CCCCCCCC[C@@]1(C)N[C@]2(CO1)C[C@H]1CC[C@H]2C1 2283872199 KABDQNYOONJMLH-XSLAGTTESA-N 279.468 4.632 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCC[C@H]2CC[C@H]1O2 2283913782 VBPSHBOWZOLFIC-RCCFBDPRSA-N 279.468 4.722 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@@H]1CC12CC2 2284070768 KCDPNEXRFXJBII-IAGOWNOFSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@@]1(C)COC 2284717239 BUXLIADABWEIFO-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@](C#N)(NC)[C@H]1C 2287097060 RRHRYEYWXRIKQI-BBWFWOEESA-N 294.508 4.526 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)C[C@H]2CCC[C@@H]21 2288417967 NKMGTZJWCSIBJS-RYRKJORJSA-N 279.468 4.604 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)CC1CC2(CCC2)C1 2289698814 VUAQGXIKAKJFCJ-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cscc1C(F)F 2289856052 XXJRUJDBWHLDKU-HNNXBMFYSA-N 297.414 4.920 30 10 CJEE CN[C@@H](CC#CC1CCCC1)[C@H]1CCCC(C)(C)CC1 2289880538 IPQUXPKAEBPYMZ-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@](C)(CC1(CC)CC1)OCC(=O)O 2291377099 BNMAPSQBMJZBKQ-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCC(=O)O)C1CCC1 2291753827 OQQBLWDZZUMXGU-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1C(C)C)OCCN 2292874036 GEJXTGIRMXOLES-KZNAEPCWSA-N 283.500 4.763 30 10 CJEE C=CCCCCC[C@](CCC)(OCCN)C1CCCC1 2292897734 KRBFUPKSJAEWED-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@@H](OCCCN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2293301318 PDJOZMURSMOHIV-VSZNYVQBSA-N 281.484 4.539 30 10 CJEE C=C([C@](C)(CC1CCCCC1)OCCCN)[Si](C)(C)C 2293332184 XTTKMYOYPKVRCL-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCC[C@@H](C(C)(C)C)C1 2293365992 SQJCWBCYTNHQFY-QAPCUYQASA-N 281.484 4.539 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCCCC[C@H]1C(C)C 2294549774 ZRXAKQDRQKSXLM-OKZBNKHCSA-N 281.484 4.539 30 10 CJEE CN(CCCCCCCS)C[C@H]1C[C@H]1c1ccccc1 2294772840 IXSSAQYIXAKNSZ-MSOLQXFVSA-N 291.504 4.602 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@@](C#N)(NC)[C@@H]1CC 2295764248 QUKXLWKIHVDDHB-HZMVEIRTSA-N 296.524 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)c(F)c1 2304124371 CZBZGSRJYSUYPW-KGLIPLIRSA-N 256.748 4.505 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(F)(F)F)cc1C#N 2313702167 PKOZEJGHCSSELN-SECBINFHSA-N 271.307 4.634 30 10 CJEE CCC[C@H](OCC[C@H](C)CCS)c1ccccc1 2318100425 AVEPVQPWNDCXFM-HOCLYGCPSA-N 266.450 4.891 30 10 CJEE CC(C)(C)[C@@H](CS)COC[C@@H]1CC[C@H]1C(C)(C)C 2320145513 ZWOVDLLLSGEXFD-BFHYXJOUSA-N 272.498 4.667 30 10 CJEE CCCCCCCC[C@H]1C[C@H]2CC[C@H]1C[C@@]2(C)N 2327773597 LXUAKSIYWGSCAC-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@@H]1SC 2327890473 MELGGTZZUPWHDY-JKSUJKDBSA-N 270.482 4.940 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(F)(F)F 2329031685 SVIBCPYRUVKUKH-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE C=CC1(C[C@@H](C[C@H]2CC[C@@H]3C[C@@H]32)NCCC)CCC1 2329946138 LQUOHMNSYJMVJS-QBPKDAKJSA-N 261.453 4.537 30 10 CJEE C=CCCON=C(CC)c1ccc(C(C)(C)C)cc1 2330264288 WXYCTIXBKOIYJN-UHFFFAOYSA-N 259.393 4.691 30 10 CJEE CCSc1ccc(C(CC)=NOCC(C)C)cc1 2330292758 BHGBFFABAKWQGA-UHFFFAOYSA-N 265.422 4.585 30 10 CJEE CCCCCCCCN(C)[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332408795 OJIYXZFCWQWLTC-RSJGLCBASA-N 263.469 4.713 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@]23CCC[C@@H]2CC3)CC1 2334759737 VIGMJYYNLGPURY-KZNAEPCWSA-N 261.453 4.681 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(C)c(C)c1 2335207098 PZEYHYOQUYSHBM-WBVHZDCISA-N 277.477 4.652 30 10 CJEE CCCCCCCCC[C@@H](O)C#CC1(SC)CCC1 2336188404 FCLUNBYBXDVNSW-MRXNPFEDSA-N 282.493 4.777 30 10 CJEE CCCN[C@@H](C#CC1CCC1)C1(C)CCCCCC1 2337531334 KZJXBXMIWDBNAR-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE N#C[C@H]1CCCC[C@H]1Nc1cc(C2CC2)ccc1Cl 2338126894 VSSLOSOAGLRGRL-UKRRQHHQSA-N 274.795 4.712 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2)[Si](C)(C)C 2338686300 KVQZMRUXUDJINE-NXOAAHMSSA-N 279.544 4.615 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1CCCc2sccc21 2338738972 RAKIVCHTHKTUPA-NVXWUHKLSA-N 275.461 4.524 30 10 CJEE C=CCCCCCC[C@H](O)c1ncccc1C(C)C 2340311269 BGACEZVZVHHGDY-INIZCTEOSA-N 261.409 4.765 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(C(C)(C)C)cc1 2344337261 PCTSKHSJNPCWDB-FUHWJXTLSA-N 259.437 4.976 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)cc1F 2344346349 RTJOMTMWFQOTQB-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCC[C@@H]1C2)NCCC 2344372880 WGQRHXNEAMKNOU-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C2(C)CC2)cc1 2344385323 OSFXHIZLTYAJKU-PBHICJAKSA-N 257.421 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C2CCC2)cc1 2344464662 VXHPGHJUOCARJX-ZWKOTPCHSA-N 258.405 4.980 30 10 CJEE CC=Cc1ccccc1OCC1(CS)CC(C)(C)C1 2344993834 RMNPJZKLOQMUTE-UHFFFAOYSA-N 276.445 4.835 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCCC[C@H]1CC 2352000318 DUAPUGCZTPDTCP-CZUORRHYSA-N 282.449 4.664 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cc(Cl)cc(C#N)c1 2352093898 SQOULANAJGLMIP-HNNXBMFYSA-N 297.851 4.573 30 10 CJEE C=C(C)[C@@H](NCCC)C1CCC(CC(F)(F)F)CC1 2353608382 ZONCDQVVXDPDEC-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354886760 HWVMLMMSCRNDJB-XIRDDKMYSA-N 268.404 4.638 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356202939 ZRUMEUJXSYDVJY-FJIDUMEYSA-N 281.484 4.660 30 10 CJEE Clc1ccccc1/N=C/c1c[nH]c2ccccc12 297619 LIGOGUULGLMGMM-VCHYOVAHSA-N 254.720 4.572 30 10 CJEE C(=N\C(c1ccccc1)c1ccccc1)\c1ccccc1 25759523 OVAMCIQDVMEHAG-PGMHBOJBSA-N 271.363 4.895 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1ccc(Cl)c(C#N)c1 36973160 DNSIBJWODYYNSW-YPMHNXCESA-N 264.800 4.838 30 10 CJEE CCCCCCOc1ccc(C(F)(F)F)cc1C#N 37334120 TZINYJYQQAZMQA-UHFFFAOYSA-N 271.282 4.536 30 10 CJEE CCC[C@@H](C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 37344017 KDVXMBDEVXVQMO-ZJUUUORDSA-N 284.186 4.606 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2ccc3ccccc3c2)n1 40509124 WNZUYQPVXRHUIH-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CC(C)c1ccc2c(c1)[C@H](C#N)CC1(CCCC1)O2 41325768 WRJKJVPXLLQCEH-AWEZNQCLSA-N 255.361 4.512 30 10 CJEE N#C[C@@H](CCOc1ccc(F)cc1)c1cccc(Cl)c1 57685940 MENNDWNRGXHGSQ-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCc1cc([C@H](C#N)CCCc2ccccc2)ccc1OC 57696629 CHDNIRWPAAJJTL-IBGZPJMESA-N 293.410 4.888 30 10 CJEE CCCCCCCOc1ccc(CNC(C)C)cc1OC 59178873 ASZJUPHDZIDEMM-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE COc1ccc(OC)c(/N=C/c2ccc(C(C)C)cc2)c1 59518441 RMFRRLYJIBRPNG-XDHOZWIPSA-N 283.371 4.578 30 10 CJEE COc1ccc(Cl)cc1[C@@H]1CCCCC[C@@H]1C#N 62661293 XGZRHOXVICNITL-DGCLKSJQSA-N 263.768 4.536 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1ccc(F)cc1Cl 71389765 IXUDXDRHZLWQEH-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE N#CCc1oc2c(Cl)cc(Cl)cc2c1C(F)(F)F 77071731 OAGLRMAQZIFZNZ-UHFFFAOYSA-N 294.059 4.824 30 10 CJEE Cc1cccc(CSCCCCCCS)c1 87098055 PMCFPSYRSNCZRE-UHFFFAOYSA-N 254.464 4.718 30 10 CJEE C[C@@H]1CCCC[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 91876118 DZEHCVNVQQBVQC-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE C[C@@H]1C[C@H](OCCCCCCS)CC(C)(C)C1 94583993 PEQUNZCFDZPREY-KGLIPLIRSA-N 258.471 4.708 30 10 CJEE C=C(C)COc1ccccc1CNCCCCCCC 100126311 JYZHDDXOGHAJQD-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE CCCCCCCN[C@H](C)c1cccc(Cl)c1 102264950 PVZHCKLLJIHGCZ-CYBMUJFWSA-N 253.817 4.961 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)C[C@@H]1O[C@H]1C 107616974 QPNIGMCURMUOSJ-GUXCAODWSA-N 296.410 4.855 30 10 CJEE CCCc1ccc(Nc2ccc(Cl)cc2C#N)cc1 110254383 GKYWGHWKHCGFKL-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE C[C@H]1C[C@@H](Oc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 110261825 ZADNXKMZDCFWOY-SMDDNHRTSA-N 277.795 4.805 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccccc1OC 112938316 MXZLVAQZHUCSNJ-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@@]1(C)C1CC1 115223539 PELQLOMSRMUCDI-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cncn1C 116804069 HAHNFYVAPFNTOK-KRWDZBQOSA-N 280.456 4.765 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CCC)OCC 122397838 NTLNTSAGIDJTHA-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@H](Cc1cccc(C)c1)NN 125847775 PDBNSGAFDIHPJD-GOSISDBHSA-N 276.468 4.510 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ccccc1C 127254605 AVGVQFPHESHELP-QGZVFWFLSA-N 261.453 4.876 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCN(C(C)C)CC1 129263504 JDBDPEPGHJXGCQ-LJQANCHMSA-N 296.543 4.980 30 10 CJEE CCCCCCCCOc1cccc(OC)c1C(C)=O 129456210 VPSYJOTXTYAJOV-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE C#CC[C@H](CC)N[C@H](CCCCC)c1ccccc1 129815046 JDLMGXLHWOOKFX-ZWKOTPCHSA-N 257.421 4.700 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCO[C@H]1C1CC1 131392333 SWWISZBQERUUBA-OALUTQOASA-N 295.511 4.922 30 10 CJEE C=C(CC)C[C@H](NC)c1cc2sccc2s1 131577011 VIQOKGTUYMWYDY-JTQLQIEISA-N 251.420 4.580 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(Br)cc1C#N 132220187 AROAMMWNLPTTEJ-CYBMUJFWSA-N 295.224 4.701 30 10 CJEE CCCCCCCCOc1nc(CC)nc(Cl)c1C 132518057 AYLUDISOPCGGEG-UHFFFAOYSA-N 284.831 4.740 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(C)CCCS1 134006011 LTVOQXCZCHRKNU-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1SCCS[C@H]1C 135809524 FMHRFLUEKGMDTG-KKUMJFAQSA-N 289.554 4.562 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCO[C@@H]1C 148285654 QFDIPGYFXPBREA-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCO[C@H]1C 148285852 QFDIPGYFXPBREA-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 155995016 PMVHUFYPLCXNPN-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 156100052 WOOPDQHQFVGEDR-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCC 156176902 DZSBGITVNQMZSY-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC(F)(F)F)cc1 158117723 LZAYDPQNCMTAMN-AWEZNQCLSA-N 289.341 4.946 30 10 CJEE CCSc1cccc(N2CC[C@@H](C(C)(C)C)C2)c1C#N 159716010 JDSBFCGTFBSECI-CYBMUJFWSA-N 288.460 4.543 30 10 CJEE CCCCCCC[C@H](O)C1(OCC)CCCCCC1 162878319 XWBIEAXRUFOQKA-INIZCTEOSA-N 270.457 4.837 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc(Cl)sc1Cl 182588773 OMUYDFBILCAPSX-QMMMGPOBSA-N 292.231 4.530 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1C)C1CCCCC1 203439754 DYDYNWGSNGKBJT-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2c(F)cccc2Cl)C1 218338883 DXGLXEKAQPEZBX-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE C[C@H]1C[C@H](C)CC[C@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 218554856 VEJGEQRCUUDOAL-CTXUPJPISA-N 291.479 4.920 30 10 CJEE C[C@H](Nc1c(F)cccc1Cl)c1ccc(C#N)cc1 225209993 XIAHHLJZUFAVRA-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCC(=O)CC[C@@H](CCC)CCN 226523643 SJZBMMZGWHCXFP-MRXNPFEDSA-N 269.473 4.851 30 10 CJEE CCCCCCCCCCCCNCCOCC1CC1 232936154 SGZGIICDLBUHPJ-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@H]1CNCCC 232951019 NARKKBBSNKVZHP-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccncc1Cl 233164458 TXWKZBIECFLLTK-MRXNPFEDSA-N 280.843 4.912 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(OC)c(C)c1 233608963 XBHWUPPINLQSHT-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE C[C@@H](O)c1ccc(SCCCCC(C)(C)C#N)cc1 235244256 HYGNFLRZMKRUSU-CYBMUJFWSA-N 277.433 4.552 30 10 CJEE C=CCCCCC[C@H](N)CSc1ccc(C)cc1 235792857 RDXKRMXAWDICRC-HNNXBMFYSA-N 263.450 4.551 30 10 CJEE O=C(CSc1ccccc1F)C1=CCCCCCC1 236155582 HOVNRWHUWYLPJO-UHFFFAOYSA-N 278.392 4.768 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 245588854 FNUYYOVZFYYEEO-NZSAHSFTSA-N 297.442 4.528 30 10 CJEE CC(C)CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 250564205 LJSOCNRFTKUAIX-MELADBBJSA-N 253.455 4.730 30 10 CJEE CCCN(CCC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252436414 OXXVUDPNHNSHDT-YESZJQIVSA-N 278.484 4.853 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@H]1C 252895935 AQTKWUDVWOWZPN-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 253030611 FZYUYNBJXKEKGF-HAGHYFMRSA-N 283.459 4.687 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1ccccc1Br 304559798 VPYMWSCUFJUTCM-WCQYABFASA-N 280.209 4.738 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)ccc2Cl)cc1F 307920840 ARMWRHISNWTKFI-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCCCCCNC[C@H]1CCCC(F)(F)C1 310693221 OOSGANJYBPTJQO-AWEZNQCLSA-N 259.384 4.538 30 10 CJEE C[C@]1(c2ccc3ccccc3c2)CCC[C@@H](CC#N)O1 312596836 DKXZJGRHJWSHDI-ZWKOTPCHSA-N 265.356 4.538 30 10 CJEE Cc1ccc(Br)cc1C[C@]1(C#N)CCC[C@H]1C 314475700 BAIYBJAOUYVTGP-DOMZBBRYSA-N 292.220 4.630 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2c(Cl)cccc2Cl)C1 317506906 HANSYHSPJLCJTL-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccccc2C(F)(F)F)C1 317630449 WHTMWCBKHWAHJE-IUODEOHRSA-N 284.321 4.643 30 10 CJEE CC(C)CNC[C@]1(CC#CC(C)(C)C)CCCC[C@@H]1C 319625732 FVEUWQIMHHAYEA-PKOBYXMFSA-N 277.496 4.868 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(OC)ns1 319859436 VMTDVSNRCTZYNS-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCCCCCCCCCN[C@@]1(CCC)CCOC1 378697491 LTAVUWJECRFMOI-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(C)s1 385138949 WIBFXRZHRWITCF-AWEZNQCLSA-N 263.450 4.537 30 10 CJEE C=C(C)CCN[C@H](CCC)c1ccc(Cl)cc1 386925844 SGHLWODSXGECCI-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)[C@@]1(C#N)CCC[C@@H](CC)C1 397732572 WXHYAWFHLDKXKP-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F 398088688 OTLJHXKPNUAHDT-SSDOTTSWSA-N 279.252 4.539 30 10 CJEE CCCC1CCC(C#N)(CCc2ccc(C)cn2)CC1 399724675 GRWOHQBNSSFYJZ-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)CC(F)(F)F 402822923 DCYDBQKEKKKVJD-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE C=C(CC)CC(=O)c1ccccc1NC(=O)OC(C)(C)C 405591705 RRPMUXFRYFRYGM-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/NC3(CCCCC3)CCS2)CC1 687319629 AVTSIVSSBKVSKL-CABCVRRESA-N 294.508 4.741 30 10 CJEE CCC[C@H](C)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316006 PLPHAGNAGPPLMA-KBPBESRZSA-N 265.441 4.530 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)c1ccc(C#N)cc1Cl 691055403 MQHHSKYCHHFRNP-SWLSCSKDSA-N 276.811 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)c1ccccc1 692264296 PDRWYNIGQJIGFQ-NXHRZFHOSA-N 257.421 4.862 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1nnc(C)s1 698702086 DNTPSGZGZCAWBQ-HNNXBMFYSA-N 298.496 4.671 30 10 CJEE CCCCCCCNCc1ccc(Cl)cc1C 703749037 UKFOZWYSBUJIAR-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE C=CCCC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12 703959953 ULCWMUCLQOLHRM-UHFFFAOYSA-N 290.838 4.903 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C)Oc1ccccc1 704275668 FVJPLCDODZDYNY-SJLPKXTDSA-N 278.436 4.956 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 709364808 VAHLWNWTMQCPQS-SRABZTEZSA-N 273.420 4.628 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCCC[C@H]1C1CC1 709999564 UTENNBLKRCPHBS-IRXDYDNUSA-N 295.536 4.767 30 10 CJEE C=C(COC(C)C)[C@H](C[C@H](CC)C(C)(C)C)NCCC 711110230 GQBYBKPKLXMDPK-IRXDYDNUSA-N 283.500 4.798 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(C(F)(F)F)s1 717947791 WTCRMSXHHZDFFB-NXEZZACHSA-N 277.355 4.772 30 10 CJEE CC(C)[C@H](Nc1cc(F)cc(C#N)c1)c1ccccc1 718563773 GORAUDBUUJLJTI-KRWDZBQOSA-N 268.335 4.507 30 10 CJEE CCCCCCCC[C@H](N)C1CCC(SC)CC1 720414777 NJZUKVBPFGERPW-GPANFISMSA-N 271.514 4.986 30 10 CJEE CCC(CC)(CS)COC1CCCCCCC1 721133255 AFKCSIDEJLAWII-UHFFFAOYSA-N 258.471 4.852 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@H](OCC)C1 721227859 KFLDSCSGVGIVLE-CABCVRRESA-N 291.460 4.724 30 10 CJEE CC1(C)CCC(C#N)(CC[C@@H](O)c2ccccc2)CC1 721307996 WSVWPPBHRWJJEE-MRXNPFEDSA-N 271.404 4.610 30 10 CJEE C=C1CCC(C[C@H](Cc2cccc(Cl)c2)NC)CC1 724545738 SVZASOWVILNGDY-QGZVFWFLSA-N 277.839 4.607 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(Cl)c2)CC1 724548499 COPZHWNQPXALRT-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=C1CCC(CC(=O)[C@@H](CC)CC(F)(F)F)CC1 724583215 LFLSWBKFQZOPIL-LBPRGKRZSA-N 262.315 4.671 30 10 CJEE CCOc1ccc(N[C@H](C)c2ccc(C#N)cc2F)c(C)c1 781421745 KQAWZSWZWUGIKY-CYBMUJFWSA-N 298.361 4.578 30 10 CJEE CCCCCC/C=C/C=C\NC(=O)OC(C)(C)C 1082591777 CUVHZBIXMXBNII-MRBUWEIXSA-N 253.386 4.551 30 10 CJEE CSC1=CC(=Nc2ccccc2)CC(C)(C)S1 1088733851 MMUMTQAFSKVYJQ-UHFFFAOYSA-N 263.431 4.879 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C)CCC[C@H]2C)CCCCC1 1126274196 VGGRHJKWHHGTKX-JKSUJKDBSA-N 277.452 4.550 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@H](CC)C(C)(C)C)cc1 1126455493 YPGSUHQLBPNTIP-AWEZNQCLSA-N 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10 CJEE C=CC(C)(C)CN[C@@H]1CCC(C)(C)c2ccccc21 384838620 HSPNFNKAIMLBOI-MRXNPFEDSA-N 257.421 4.601 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1CC(C)C 388224194 PURONMQGOBAWHB-BBWFWOEESA-N 268.489 4.641 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCO[C@@H](C)C1 388954962 VJDSWEWOJSKVHR-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C1CCCC(C/N=C2/N[C@@H](C3CCCCC3)CS2)CC1 389552800 SDMGBMATERBWHC-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@H](C#N)C2CCCC2)C1 397172502 BMNLNVQHGONHQN-SNPRPXQTSA-N 251.439 4.628 30 10 CJEE CCCCCCCCCNCCc1ncc(C)cc1C 689408960 ANRMMDCITOZDEA-UHFFFAOYSA-N 276.468 4.581 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1sccc1C 692255075 QYVOJIAECRJFJS-ZNMIVQPWSA-N 263.450 4.842 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)cc(Cl)c1 695862520 FEYJVTZXFGDMAP-VIFPVBQESA-N 271.191 4.734 30 10 CJEE CCCCc1ccc(O[C@@H](C)CC(C)(C)C#N)cc1 695870583 IIFLRJSWFMESHV-AWEZNQCLSA-N 259.393 4.736 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H]1CCCC2(CC2)C1 695987714 AMPYNLLIVUAIJA-JKSUJKDBSA-N 266.473 4.539 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(C(F)F)CC1 700126436 BOGATAAUQSWWSP-CYBMUJFWSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCOC[C@H](C)[C@H]1CCCCN1 700343703 JTMAYGGSNBNBFD-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCC1(NCc2ccc(Cl)cc2Cl)CCCC1 700641961 UAPVRKOCFRLEAI-UHFFFAOYSA-N 284.230 4.972 30 10 CJEE SC[C@H](COc1ccccc1-c1ccccc1)C1CC1 702020524 XRNHKJUVBGCHIB-INIZCTEOSA-N 284.424 4.688 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1(N)CCCC1 702709737 ALXDPRQQTGVWQS-MRXNPFEDSA-N 269.473 4.540 30 10 CJEE CC(C)[C@H]1CCCCN(CC2(CS)CCCCC2)C1 703286946 ZMNBQGZWFYXONP-INIZCTEOSA-N 283.525 4.625 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cnc2ccsc2c1 703954411 FFJQSLZVHLEEEO-CYBMUJFWSA-N 288.460 4.939 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(OC(F)F)cc1 704951023 KCNIGRUQBRAPMP-DFBGVHRSSA-N 279.330 4.721 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC(C)(C)c2ccccc21 706425272 PRDUMFNYWCKKJX-QGZVFWFLSA-N 271.448 4.991 30 10 CJEE C[C@H]1C[C@H](N(C)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 709183407 LHRDXANTYQNDBC-WFASDCNBSA-N 290.838 4.863 30 10 CJEE C=CCCC(C)(C)Cn1ccc2c1CC(C)(C)CC2=O 709297696 VYOJHQUYDOWUHL-UHFFFAOYSA-N 273.420 4.636 30 10 CJEE CCCCCCCCNc1nccc2c(N)cccc12 709925787 ZNNPXTDMDVFFKS-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 710606216 FXDSOYHVIDZCMM-XNRPHZJLSA-N 271.876 4.960 30 10 CJEE C1CCCC(/N=C2/NC3(CCCCCC3)CS2)CCC1 713217697 YOHFUPIQNQVZCU-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 715793179 GWBAQOSJFKPGPA-DFGXFYAUSA-N 263.469 4.639 30 10 CJEE CC1(C)CCCCC[C@@H]1NC[C@H](C#N)C1CCCCC1 718953328 CTPNNPUSMKZWQW-IRXDYDNUSA-N 276.468 4.655 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CC[C@@H](CN)C1 724026739 KIJTUWVACFVGPN-QZTJIDSGSA-N 283.500 4.787 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2c(Cl)cccc2Cl)C[C@@H](C)O1 724287397 KVPBTFYKZDCKAM-HBYGRHMLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(CN[C@H](C)C2CCC(F)(F)CC2)CC1 724544969 NCHHUHWUZOIWKM-CYBMUJFWSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@@H](N)CSC2CCCCC2)CC1 724548938 ILTWEWZYONJVCZ-OAHLLOKOSA-N 267.482 4.516 30 10 CJEE C=C1CCC(C[C@]2(CNCCC)CCC[C@H]2C)CC1 724602679 MXQMRIJCZWHXKY-AEFFLSMTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H](NC)C(CCC)CCC)CC1 724617965 PTBWSJMNOYQBHO-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE CCCOc1ccc(C#Cc2ccc(SC)cc2)cc1 725396961 GXPOSBCSWUKECI-UHFFFAOYSA-N 282.408 4.597 30 10 CJEE Cc1cc(C)c(/C=C\C(=O)c2ccc(C#N)cc2F)c(C)c1 781108617 RPDORSDMMCYDLH-SREVYHEPSA-N 293.341 4.519 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 1130872833 MDOXKHQPMPICLW-CQSZACIVSA-N 285.309 4.555 30 10 CJEE C=C(C)CCN(Cc1ccc(F)cc1F)C1CCCC1 1167984955 ZVHDTSLSYPGRDW-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(OCCC)cc1C 1178304468 IMYLPCBKQFSKND-MRXNPFEDSA-N 275.436 4.618 30 10 CJEE C=C(C)[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1ccc(F)c(F)c1 1180954828 ZWCLLDGSTCUUTB-ZLIFDBKOSA-N 293.401 4.996 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@H]1c1ccc(C)cc1 1183045638 LCXWDVFRZUJAMY-ZWKOTPCHSA-N 271.448 4.823 30 10 CJEE C=CCCC1(CNC(=O)N(CC)CC(C)(C)C)CCCC1 1230929185 WVKGHRCFBHJBOK-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 1264286041 XNSNPOJIZIIBEW-YESZJQIVSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C(C)C)cc1 1288552427 RVRXUIZXBFHVLL-UHFFFAOYSA-N 273.420 4.532 30 10 CJEE C#C[C@H]1CC[C@H](NC2CCC(CC)(CC)CC2)CC1 1308509489 BNKFUPCSAWUQSY-WKILWMFISA-N 261.453 4.517 30 10 CJEE C=CC1CCN(C/C=C/c2cc(C)c(C)cc2C)CC1 1308559970 IUTUWTQSUCPJRQ-VOTSOKGWSA-N 269.432 4.523 30 10 CJEE C=CCCCCCCNC(=O)CC1CCC(C)(C)CC1 1436188964 CUSYWESRCHFXRA-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)c1ccsc1)c1ccccc1 1437294291 WYYVKSDGKZPKTF-QGZVFWFLSA-N 299.439 4.851 30 10 CJEE C=CCC1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCCCC1 1441295209 ZHFDEXHJJVHSLY-UHFFFAOYSA-N 296.414 4.941 30 10 CJEE C=CC(C)(C)CCNC/C=C/c1cc(C)c(C)cc1C 1461658166 VOLPTOFPWHUABO-CMDGGOBGSA-N 271.448 4.817 30 10 CJEE C=CCC[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C(C)C 1462051015 QACSLFSAYUBGHX-VDZJLULYSA-N 271.448 4.890 30 10 CJEE C=CC1CCN([C@@H]2C[C@H](C)Sc3sccc32)CC1 1474311659 SFDNLVWANDNQFB-SMDDNHRTSA-N 279.474 4.572 30 10 CJEE C#C[C@H](N[C@@H](C)CCC1CCCCC1)c1ccc(F)cc1 1474544525 QOTOZOTZLIAFPO-KXBFYZLASA-N 287.422 4.839 30 10 CJEE C=CCCC1(CN[C@H](C)Cc2ccccc2F)CCCC1 1474625134 KLNIFLVWAGBTAL-MRXNPFEDSA-N 289.438 4.873 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CCC1 1519852446 CYDIRPLAUVKRTC-HOTGVXAUSA-N 291.479 4.702 30 10 CJEE C=CCc1cc(OC)ccc1OC(=O)[C@@H](CC)CCCC 1524510449 KSCQHJNHMBUHPZ-AWEZNQCLSA-N 290.403 4.546 30 10 CJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](C)C(C)(C)C 1524721128 UISICZOLTRMLRS-KGLIPLIRSA-N 293.476 4.581 30 10 CJEE C=CCC1(NC(=O)[C@H](C)CC2CCCC2)CCCCC1 1525769825 GFEABZNTUYZFFG-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=C(C)CCC(=O)Nc1nc(/C=C\c2ccccc2)cs1 1529248120 UIGDYJYNYDOTEP-KTKRTIGZSA-N 298.411 4.608 30 10 CJEE C=CCCCCCCNC(=O)[C@]1(C)CCCc2ccccc21 1532061004 PZWFBKKDNLTVHQ-HXUWFJFHSA-N 299.458 4.533 30 10 CJEE C=CCN(C(=O)CCc1ccc(C(C)C)cc1)C(C)(C)C 1532428457 WSKMCGLTOCESDY-UHFFFAOYSA-N 287.447 4.556 30 10 CJEE C=C[C@](C)(CC)C(=O)NCc1ccc(-c2ccccc2)s1 1533806314 LAZNGIPGQDTZQZ-GOSISDBHSA-N 299.439 4.634 30 10 CJEE C=CCn1c(C)cc(C(=O)CS[C@H](CC)CCC)c1C 1559407939 PHINBYBRWWUWLW-OAHLLOKOSA-N 293.476 4.786 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@H](C)CC1 1564863439 APZVKANQJICDLN-KRWDZBQOSA-N 294.483 4.735 30 10 CJEE C=CC1(CC(=O)N2C[C@@H](C)c3ccccc32)CCCCC1 1585533752 FVDKZRBLAFYYTD-OAHLLOKOSA-N 283.415 4.663 30 10 CJEE FC(F)(F)c1ccc(Cl)c(C#Cc2cccs2)c1 1614826750 PSERYGKLRZUGIK-UHFFFAOYSA-N 286.705 4.820 30 10 CJEE CCCCCCCN(C)[C@@H](C)Cc1cccs1 1615817832 HMUDSXDNQZERRL-AWEZNQCLSA-N 253.455 4.581 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccsc2)C(C)(C)C)CC1 1617316737 PXQOOSIOFCVBNV-UHFFFAOYSA-N 291.460 4.622 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(OCC2CC2)cc1 1621056100 OUSNIFPIQLVBAI-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@H](C)Sc2ccccc21 1624957236 TUCHUNQIJSFJOF-AWEZNQCLSA-N 289.444 4.506 30 10 CJEE C=C1CC(C)(C(=O)N[C@H](CC(C)C)c2ccccc2C)C1 1629027130 GQNFPWPPDXZDMT-QGZVFWFLSA-N 285.431 4.555 30 10 CJEE C=CCCCCSc1nccn1-c1cccc(C)c1 1640731973 GZSVRVHMMUYWIK-UHFFFAOYSA-N 272.417 4.629 30 10 CJEE C=C(C)CCNC1(c2c(Cl)cccc2Cl)CC1 1642444280 XIWZPMDDHPLNQM-UHFFFAOYSA-N 270.203 4.538 30 10 CJEE C=CCN(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1645356335 XBLKLHJFVYKOQC-UHFFFAOYSA-N 287.790 4.750 30 10 CJEE C#CCCCCCCNc1ccc2c(c1)CCCCC2 1652761707 ILQJVRYYENNMEL-UHFFFAOYSA-N 269.432 4.951 30 10 CJEE C=CCN(C/C=C\c1cccc(F)c1)CCc1ccccc1 1657505415 QDMSKNYBTANVJT-XFFZJAGNSA-N 295.401 4.570 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCC1CCCCCC1 1657524756 LYLJRCUXGXIXRX-LJQANCHMSA-N 271.448 4.734 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(C(F)(F)F)c(OC)c1 1657978416 BSTFMUPDTBSEQN-NSHDSACASA-N 287.325 4.871 30 10 CJEE C=C(C)CN[C@H](CC(C)(C)C)c1ccc(Cl)cc1 1657994515 ZNVVYPVXIIDLOT-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 1658065855 JVGLZPIYHXNDBQ-RRCSTGOVSA-N 291.385 4.545 30 10 CJEE C#Cc1ccc(N[C@H]2CCCC23CCCC3)c(Cl)c1 1660811058 NITFIGYMWKVQQM-INIZCTEOSA-N 273.807 4.846 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@@H](c2ccccc2)C1 1665312638 JUSSFGCJUXLUKK-SJORKVTESA-N 257.421 4.515 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2CCCCCC2)c1 1674975086 FNMWVQJNGGQWIA-UHFFFAOYSA-N 272.392 4.564 30 10 CJEE N#C[C@@]1(C2CC(c3ccccc3)C2)CCCC12CC2 1875853712 YABJXCMZXAOBHK-LEOMRAHMSA-N 251.373 4.654 30 10 CJEE Cc1cc(OCC2(C#N)CCCCC2)c(C)cc1Cl 1878911884 KAEHALXMEKXJDQ-UHFFFAOYSA-N 277.795 4.810 30 10 CJEE CCC[C@H](CC)N(C)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 1879296534 PRJKTHBZYZFUMZ-WCXIOVBPSA-N 264.457 4.605 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](C)OC 1884310793 IAIPVWDRXHTNCO-KRWDZBQOSA-N 271.489 4.874 30 10 CJEE C=C(C)CN(Cc1ccc2ccccc2c1)C(C)C 1884472855 WDQWJCKYEDPCKX-UHFFFAOYSA-N 253.389 4.626 30 10 CJEE CC#CCCCC[C@H](NC)[C@H]1CCCC(C)(C)CC1 1885237187 PQDBRCHDSULLAQ-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE C=CC1CC(Nc2ccc(OCc3ccccc3)cc2)C1 1885803144 NISYWNSSYGOMRO-UHFFFAOYSA-N 279.383 4.642 30 10 CJEE C=CCC(CC=C)N(Cc1ccccc1)CC(F)(F)F 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Cc1cc(COc2ccc(C(C)C)cc2)ccc1C#N 1968402041 UYTCQIULJNMMGK-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 1970666965 SOQVELSFMCABPH-SLEUVZQESA-N 274.795 4.592 30 10 CJEE CCC[C@@](C)(C=O)Cc1cc(Cl)ccc1Cl 1978640273 ZGFSOJCCKTWFGQ-CYBMUJFWSA-N 259.176 4.541 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCS[C@@H](C)C1 1997351659 GSGJSKOQVPUROS-UONOGXRCSA-N 256.455 4.838 30 10 CJEE CCCP(=O)(CCC)[C@@H]1CCCCC[C@@H]1C#N 2018890386 NIAMWMJYCYKIRQ-ZIAGYGMSSA-N 255.342 4.642 30 10 CJEE N#C[C@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@H]1F 2024455459 FILUZWNPSNKXTA-JHJVBQTASA-N 272.150 4.739 30 10 CJEE C=CCCCCCC[C@H](N)CCCC(F)(F)F 2026020078 ULBPFSVBYPZCGO-LBPRGKRZSA-N 251.336 4.573 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C)CCC1=O 2043736838 IIQWRQKUIORMKI-GOEBONIOSA-N 254.414 4.511 30 10 CJEE CSc1cccc(C(=O)C2=CCCCCCC2)c1 2045610274 TUPYULCLOANACC-UHFFFAOYSA-N 260.402 4.872 30 10 CJEE CCCN[C@H](C#C[Si](C)(C)C)c1cc(Cl)sc1C 2045780162 SITCOHUKTMDNHC-CYBMUJFWSA-N 299.943 4.631 30 10 CJEE 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289.366 4.774 30 10 CJEE C=CC1(C[C@@H]2CCCC[C@@H]2CNCC(C)C)CCC1 2111719314 CSCCIDYPFMSILS-DLBZAZTESA-N 263.469 4.785 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@@H](CS)CC1CC1 2112869437 TVOXUDXAJNLXFJ-ZFWWWQNUSA-N 278.461 4.925 30 10 CJEE CCCc1nc(C[C@]2(C#N)CCCC(C)(C)C2)cs1 2113526843 BUSKRXMWIFPACP-MRXNPFEDSA-N 276.449 4.748 30 10 CJEE CCCCCCCN1CCC(c2nc(C)cs2)CC1 2115759829 RKPCQFLAWVHGIH-UHFFFAOYSA-N 280.481 4.601 30 10 CJEE C=CCCC[C@@H](NCCC)c1coc(C(F)(F)F)c1 2116482373 NICWUHWSQODANF-GFCCVEGCSA-N 275.314 4.695 30 10 CJEE C#CCCCC[C@H](NCC)C1CC2(CCCCC2)C1 2116843135 RYTHSHYLJPLHEK-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@H]1C[C@@H]1c1ccccc1 2117010156 IALYIZOOCCAISL-RYRKJORJSA-N 253.389 4.900 30 10 CJEE C#CCCCC[C@H](NCCC)[C@@H]1CCCCC12CC2 2117039958 NGDMPZGMJNUQDF-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CCCCCCCO[C@@H]1CC(=O)[C@]12CCCC2(C)C 2117050258 UIJLYAXRXXBSSP-NVXWUHKLSA-N 266.425 4.511 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Cl)c(F)cc2F)CC1 2122790042 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C=CCCCCCCCCC[C@@H](O)CC(C)(C)[C@H](C)N 2207429285 HQLPXTUFKPYERY-DLBZAZTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1CC[C@H](C)CC1 2207431049 AZLQAOLLTKIWAD-KZNAEPCWSA-N 280.500 4.951 30 10 CJEE CCCCCCCC[C@H](O)C(=O)[C@H]1CCCC(C)(C)C1 2207445021 AAJIIRYGIXHALC-HOTGVXAUSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](NCCC)c1ccsc1 2207446860 FJFZYWAMXUIVBM-IAGOWNOFSA-N 297.508 4.900 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1(C)CCC1)NCC 2207447346 WRKMBDOUDUDQGI-SJORKVTESA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC[C@H]1CC1(C)C)NC 2207470842 UVYHTQHJXDZPOR-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE CCCC#C[C@@H](NCCC)[C@@H](CCC)CC(C)C 2218437989 NDWLAUPEPFPODA-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C=CCCCCCCCN[C@H](C)c1nc(C)cs1 2220089993 AYBFJOCOHIPHMX-CQSZACIVSA-N 266.454 4.629 30 10 CJEE C=CCCCCCCC[C@H](NC)c1scnc1C 2220093989 UGDHRFHZSPOFRS-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE C=CCCCCCCCN(C)CC[C@@H](C)C(F)F 2220097314 MFUZBURUJFEGRD-CQSZACIVSA-N 261.400 4.736 30 10 CJEE 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CC#CCCCC[C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2343208007 LBFIIQIMIQUFDB-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(F)cc1Cl)NCC 2344343254 CQOBYFBCEZNTLY-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCCCC1(F)F)NC 2344347644 CWBHLJRKHYKAKX-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CCC2(CC2)C1)NCCC 2344347980 GUNGQJBNTFSIGX-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](C)N(C)c1cc(Cl)nc2ccccc12 2344358738 HAROUOWGWVXJPA-GFCCVEGCSA-N 274.795 4.679 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)c(F)cc1F 2344368179 AVDYJUOBZPSOLJ-HZPDHXFCSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(F)cc(C(F)F)c1 2344386475 WXBCIFAHUZUBIK-OAHLLOKOSA-N 270.294 4.938 30 10 CJEE CC(C)O[C@H]1CCC[C@H]1C1(C=O)CCCCCCC1 2344785549 MYTMZLIPVVOVBB-CVEARBPZSA-N 266.425 4.510 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H](O)[C@@H]1C[C@H]1C 2357651223 NMTISJIDOMWARV-BRSBDYLESA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CCC1(F)F)NN 2360440183 KRZPTFFEWHIJOH-LSDHHAIUSA-N 290.442 4.785 30 10 CJEE Cc1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14458324 YMNXTDGKDQRFEI-JENIJYKNSA-N 286.378 4.693 30 10 CJEE N#Cc1ccnc(Oc2cc(Cl)c(Cl)cc2Cl)c1 19804561 ONVNFRNPODSCHS-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)C1CCCCC1 37277850 OJBXVOWGOTXYFB-LLVKDONJSA-N 262.784 4.592 30 10 CJEE N#C[C@H](C(=O)c1ccsc1)c1ccc(Cl)c(Cl)c1 50039270 FLCLYLYUIXYAFM-JTQLQIEISA-N 296.178 4.545 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C#N)ccc2C)s1 50430038 VCOACPACYJXOEY-LBPRGKRZSA-N 270.401 4.664 30 10 CJEE Cc1ccc(C)c(/N=C2/N[C@@]3(CCC[C@H](C)C3)CS2)c1 53099125 XJKVRKWDUCYFIG-SUMWQHHRSA-N 288.460 4.576 30 10 CJEE Cc1ccc(N[C@H]2CCCC[C@H]2C#N)cc1C(F)(F)F 54827586 QUAFILCPPYSELB-FZMZJTMJSA-N 282.309 4.508 30 10 CJEE C[C@@H](N[C@@H](CC#N)c1ccccc1)c1ccc(Cl)s1 55017924 YGVCVQVWTZKBDG-YPMHNXCESA-N 290.819 4.707 30 10 CJEE CCCCCCCCCOc1cc(C=O)ccc1OC 59089361 QUJLETAIQARIEM-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCCCCN(CCC(=N)N)c1ccccc1 59089390 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XNPZMVBVMYYCEF-RISCZKNCSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCNC[C@@H](C)CSC 111975354 QJXCMBDXKOSNCN-OAHLLOKOSA-N 259.503 4.716 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccc(OC)cc1 112885970 WGEJRUBTPMWQMZ-KRWDZBQOSA-N 278.436 4.739 30 10 CJEE C=CCNc1nc(-c2cc(Cl)ccc2Cl)cs1 112983548 NKOAPGHOHIUEKB-UHFFFAOYSA-N 285.199 4.715 30 10 CJEE CCCCCCCC[C@H](O)c1cc(Cl)c2c(c1)OCO2 115651807 KEMIAVZLWGXNHW-AWEZNQCLSA-N 298.810 4.853 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C)cc(F)c1 122605269 XVSGOWIALXWVFZ-MRXNPFEDSA-N 251.389 4.885 30 10 CJEE CC(C)C[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 126311244 CDOUKUYUAVIPQD-SFHVURJKSA-N 282.362 4.897 30 10 CJEE CCCCCCCCCC[C@H](CS[C@@H](C)CC)NN 126625135 RMTRMARYRZAFJS-JKSUJKDBSA-N 288.545 4.881 30 10 CJEE CCCCC[C@](C)(C#N)Nc1cccc(Cl)c1 132726548 NEVUVXNGEYEMMA-CQSZACIVSA-N 250.773 4.614 30 10 CJEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)s1 134711258 JDQNQVMVLUIUEE-BDAKNGLRSA-N 296.848 4.746 30 10 CJEE CSc1cccc(Oc2ccc(F)cc2C)c1C#N 136723306 OZZFMDNYUUZXEZ-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1C[C@@H]1c1ccccc1 158207929 IIVBMLYVYUSCEL-SQNIBIBYSA-N 259.437 4.739 30 10 CJEE N#CC1([C@@H](O)c2ccc(F)c(Cl)c2)CCCCCCC1 164697186 ANMRUAXSCSXZFJ-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE CC#CCC[C@H](CSc1cccc(Cl)c1)NCCC 168175380 JXKMHHKXEYBZIJ-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CCC1 191429028 PPFKAHFPOYEWSA-UHFFFAOYSA-N 286.419 4.555 30 10 CJEE Cc1cc(Br)ccc1C(=O)C1=CCCCCC1 203379972 IXDDSEMHJYHRMK-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CCCCCCCCO[C@@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C 219568589 WTJHSWRHVAPXDM-BDXSIMOUSA-N 283.500 4.776 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2C)C1 225064718 IVUFKQJRXRGHSA-FMKPAKJESA-N 259.418 4.806 30 10 CJEE CCCCCCCCCOc1ccc(CN)c(Cl)c1 226051193 AARPQEYPQGQEEO-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227072965 VIVGUPDIRXYOAU-ISTRZQFTSA-N 291.460 4.799 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cccc(Cl)c2F)C1 228393516 BZKLFDVKEVVPND-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCCCCC[C@H](N)c1ccc2nc(C)ccc2c1 228925115 BJZXSLNTEVSGOC-KRWDZBQOSA-N 270.420 4.904 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(OC)c1F 229062538 ATWIBTJJBIWBFG-AWEZNQCLSA-N 267.388 4.585 30 10 CJEE C=CCCCCC[C@H](NC)c1ncc(Cl)cc1Cl 234445250 OUEKQNROUKOFIF-ZDUSSCGKSA-N 287.234 4.785 30 10 CJEE O=C(C1=CCCCCCC1)c1ccccc1OC(F)F 236159861 LYTKKCDWOTUVPF-UHFFFAOYSA-N 280.314 4.751 30 10 CJEE CCCCCC[C@H](C)O[C@H]1CCCCC[C@H]1C#N 250824923 NDANBSQKYJMKOP-JYJNAYRXSA-N 251.414 4.834 30 10 CJEE CCC(C)(C)c1ccc(Oc2ccc(C=NO)cc2)cc1 251229776 HIHGWAWOPZXGPG-UHFFFAOYSA-N 283.371 4.975 30 10 CJEE C(=NNc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 254611949 JDJGSMQEJMEWKP-UHFFFAOYSA-N 284.362 4.704 30 10 CJEE Oc1ccccc1C=Nc1ccc(Oc2ccccc2)cc1 254748617 AVTBTCIZZJMJMC-UHFFFAOYSA-N 289.334 4.935 30 10 CJEE Cc1c2ccoc2c(C(C)(C)CC#N)c2ccoc12 260658177 OUFSURLVWFHWGZ-UHFFFAOYSA-N 253.301 4.679 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCCC[C@H]2C1 311600843 CLYPNTDTIIHNNL-CALCHBBNSA-N 283.525 4.769 30 10 CJEE CC(C)(C)C1CCC([C@H]2CCC[C@@H](CC#N)O2)CC1 312036762 UBMQGRGPBHJAPE-SSHXOBKSSA-N 263.425 4.690 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)cc2)C1 317341725 ROUZFLHBDGHXFZ-CZUORRHYSA-N 264.796 4.668 30 10 CJEE C[C@H]1CCC[C@@]1(CC#CC(C)(C)C)CNC(C)(C)C 318191453 ZFNIGLYAVRTSLR-MAUKXSAKSA-N 263.469 4.621 30 10 CJEE CCCN(CC(C)C)CC1(CS)CCCCCC1 381364381 OTUIVCKDSZVEEA-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C#C[C@](C)(CC)NC(=O)CCCCCCCCCCC 384186907 SUUVYFARSUXMCC-GOSISDBHSA-N 279.468 4.825 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CCOc2ccccc21 384830129 GRQJMPODUSTCJX-RKVPGOIHSA-N 269.388 4.663 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2Cc3ccccc32)CC1 388530296 LFEXQVPDZZCGJF-OAHLLOKOSA-N 253.389 4.827 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1C[C@H]2C=C[C@H]1CC2 402270464 SCBFSOBMFSGRBH-QAETUUGQSA-N 250.426 4.700 30 10 CJEE CC[C@H](CC(F)(F)F)CC1(C=O)CCCCCC1 402458723 WKNFBLYPBYRZIO-LBPRGKRZSA-N 264.331 4.895 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CC)CC(F)(F)F 402773861 LUFZGRWECDJYFQ-NWDGAFQWSA-N 254.336 4.686 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C)cc2Cl)cc1 404737326 FWZUZILZKHNQMQ-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C#CCCCCC[C@@H](O)c1c(Cl)cccc1Cl 686674943 XWVZJZIINXAYNY-CYBMUJFWSA-N 271.187 4.611 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(F)cc1F 686696563 GQTQOSMZRCOBQO-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE C=CCCCCC[C@@H](N)C(CC)(CC)C(F)(F)F 690191222 UTPJLBBRVAOZCG-GFCCVEGCSA-N 265.363 4.819 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(C(C)(C)C)s1 692240921 RLOMWWSONWDVHJ-HIFRSBDPSA-N 292.492 4.665 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 692252702 FXCLUUMWXASXNR-GDBMZVCRSA-N 263.812 4.565 30 10 CJEE Cc1cccc(C#N)c1NCCCC1CCCCC1 694083471 MPFRVMWNFNGTTL-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CC1CCC(C=O)(CC(C)(C)CC(F)(F)F)CC1 694125546 CSODNJHDEGUIOS-UHFFFAOYSA-N 264.331 4.751 30 10 CJEE CCCCCCCCCCN[C@@H](C)C1(Cl)CC1 695637549 KHSHNEJBYFPHKP-AWEZNQCLSA-N 259.865 4.877 30 10 CJEE CC(C)CCC[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 703987050 MAZQYPWZJWDJIT-OAHLLOKOSA-N 279.468 4.920 30 10 CJEE C=CCCC(C)(C)CNc1ccc(N)cc1C(F)F 704011919 UMVWPFASOLUFBS-UHFFFAOYSA-N 268.351 4.611 30 10 CJEE CCCCCCCOc1ccc(F)c(Cl)c1C=O 706663044 UBLSUYBEJOSRQZ-UHFFFAOYSA-N 272.747 4.641 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)c1ccco1 707154420 HGHOYQGFBCOJCJ-CQSZACIVSA-N 283.481 4.789 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@@]34CCCC[C@@H]3C4)C[C@@H](C1)C2 708881335 VHFMNWDZHOKFHI-VHXLSKCLSA-N 273.464 4.680 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)cc(F)c1F 710642869 DENCCOHKIQQDFI-GFCCVEGCSA-N 294.172 4.802 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc2sccc2c1 710696293 KEOUZEVGGITRNU-ZDUSSCGKSA-N 265.809 4.695 30 10 CJEE CC[C@H](CC(=O)[C@@H](C#N)c1ccc(C)cc1)C(C)(C)C 711148178 RBDPLBKOQHLPBV-CVEARBPZSA-N 271.404 4.634 30 10 CJEE Fc1ccccc1N=C1NC2(CCCCCCC2)CS1 713193241 HBBGZUKMMVSXAM-UHFFFAOYSA-N 292.423 4.633 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(F)c3ccccc23)C1 714920218 XYKUAPKAMXIZFP-UHFFFAOYSA-N 268.331 4.751 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C(C)(C)C)c1 715717553 CPLLCPGPXRVYBH-RHSMWYFYSA-N 259.437 4.847 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(F)cccc1Cl 715771085 RUCPXWXNKBGITO-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=C1CCC(CN[C@H]2CCC[C@H](CC(C)C)C2)CC1 724440750 IHVNTRMMPMJKTN-MSOLQXFVSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(Cl)cc2F)CC1 724548825 HDJNNIMSLQMGRH-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@H](O)CSc2ccccc2C)CC1 724553998 VVPCLNOOQPOPLA-INIZCTEOSA-N 276.445 4.585 30 10 CJEE C=C1CCC(CC(=O)c2sccc2Br)CC1 724584418 RVCLQDVNKJKIMO-UHFFFAOYSA-N 299.233 4.830 30 10 CJEE C=C1CCC(C[C@@H](N)c2csc(C(F)(F)F)c2)CC1 724589195 BPENCVMZOSIVCA-GFCCVEGCSA-N 289.366 4.903 30 10 CJEE C=C1CCC(CC(=O)c2cc3c(s2)CCCC3)CC1 724590250 QEMDAWJUSPQSDE-UHFFFAOYSA-N 274.429 4.946 30 10 CJEE C=C1CCC(C[C@@H](N)c2scc(C)c2Cl)CC1 724606661 VRGYNZDCANWDPP-GFCCVEGCSA-N 269.841 4.846 30 10 CJEE C=CC[C@@H](C)C(C)=NNc1cccc(Cl)c1C 727779131 YPCQEPADKPJUHI-SNVBAGLBSA-N 250.773 4.648 30 10 CJEE C#CCCCSCc1coc(-c2ccc(Cl)cc2)n1 766739052 UJIOVNWCHLVGOC-UHFFFAOYSA-N 291.803 4.642 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC2(CCCC2)C1 800576730 VXQQEGSJHXHCOM-UHFFFAOYSA-N 298.430 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CC[C@H]2C[C@H]1C2(C)C 821989409 XYXHSLDAVVJDHJ-JJTUDDRGSA-N 261.453 4.536 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1ccc(C#N)c(F)c1F 822178625 KMPYLJXAKPRFAS-NSHDSACASA-N 278.346 4.607 30 10 CJEE COc1cc(C)c(C=NN(C)c2ccccc2)cc1C(C)C 1084423212 LMUJRASABZQZCN-UHFFFAOYSA-N 296.414 4.597 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1ccccc1-c1ccccc1 1125595300 DLEOBZPFUDLSPW-UHFFFAOYSA-N 293.410 4.919 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccccc1C(C)(C)C 1133176819 FMRMYOLUNDDNBC-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE C=CC(C)(C)NC(=O)c1sc2cc(C)c(C)cc2c1C 1158859057 NLJLFLSPRPLYEQ-UHFFFAOYSA-N 287.428 4.521 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCCN(C)CC1 1258231635 SALWGCWQVIVHSM-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CC=C(c2cccc(C)c2C)CC1 1289659126 GTSMTGFKXAIZFH-FQEVSTJZSA-N 297.442 4.521 30 10 CJEE C#Cc1ccc(CNCC2CCC(C(C)(C)C)CC2)cc1 1308307197 YGSZTRNYYXDLFT-UHFFFAOYSA-N 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292.378 4.869 30 10 CJEE C=C1CCC(C(=O)N2c3ccccc3CC[C@@H]2CCC)CC1 1533637680 DTIVGYOCZTVDTF-SFHVURJKSA-N 297.442 4.881 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H]1CCCC1(C)C)c1ccccc1 1534027588 UUMAYQNVNNUODE-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=C(C)CCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 1544545479 HBEAHCOCOVYEDR-ZDUSSCGKSA-N 284.758 4.830 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1CCCC[C@@H]1C 1559495752 RKZSEZFFHPQGRI-JKSUJKDBSA-N 275.411 4.640 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1559741951 YGPZLNCCGCJMTM-MRXNPFEDSA-N 290.410 4.842 30 10 CJEE C=CCCCC[C@H](C)NC[C@H](CC)CC(F)(F)F 1560888857 GMOLWEVZDDJMAT-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 1560967286 CUFJQMMNZFQWJK-QRQLOZEOSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H](C)NC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1563289881 GZJCCFIKHLITLH-QWHCGFSZSA-N 286.419 4.558 30 10 CJEE C=CC[C@H](C)NC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1563289882 GZJCCFIKHLITLH-STQMWFEESA-N 286.419 4.558 30 10 CJEE 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251.373 4.581 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CC)COC(F)F 2231924972 UVKPXQGFSBSMQC-UONOGXRCSA-N 279.415 4.733 30 10 CJEE CCCCCCCC[C@H](C)NCCc1nc(C)cs1 2231927864 HQVDLUDMZHZYPS-AWEZNQCLSA-N 282.497 4.723 30 10 CJEE C=CCCCCCC[C@H](N)c1cccc2ccoc12 2232363481 MQTQCPFJGOSDLF-INIZCTEOSA-N 257.377 4.959 30 10 CJEE CCCCCCCCCCNCc1ncc(F)cc1F 2232845977 YLLBOAIZQGFPMF-UHFFFAOYSA-N 284.394 4.590 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCC1CC(OC(C)(C)C)C1 2232964467 NSWKZCWPQAVSDW-USSHROBNSA-N 280.452 4.756 30 10 CJEE CCCCCC#CC[C@@H](Cc1ccc(F)c(Cl)c1)NC 2233391524 CVWPAFARZOXUQZ-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE C=CCC[C@H](C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)NCC 2233669529 VBYKRAYOMWDLBN-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCOCC[C@H]1CCC[C@H]1NC 2234048016 YKTCZGVANVESPS-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCOCc1cccc(CO)c1 2234051757 SDOGHKHIGIHXTQ-UHFFFAOYSA-N 276.420 4.612 30 10 CJEE C=CCCCCCCCN[C@H](C)c1cccc(OC)c1 2235521079 FZIYIBDGXNDTBS-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE CCOCCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 2235693350 DTMXEQQRMBWVHC-OWCLPIDISA-N 297.508 4.891 30 10 CJEE Cc1cc2cc(Cl)ccc2n1CC#Cc1ccccc1 2236144993 WESCMVSIXUXKBF-UHFFFAOYSA-N 279.770 4.655 30 10 CJEE CCCCCCCCCCCCNC[C@]1(F)CCOC1 2238268362 UQTBXSHOHFPQRB-QGZVFWFLSA-N 287.463 4.626 30 10 CJEE CCCCCCCCCCNc1c(OC)ccnc1C 2238956130 BFBJXZIMEPLPRR-UHFFFAOYSA-N 278.440 4.951 30 10 CJEE CCCCCCCCCO[C@H](c1ccc(C)o1)[C@@H](C)N 2239487856 UQOYDCHGHOFNEA-WBVHZDCISA-N 281.440 4.744 30 10 CJEE CCCCCCCCCCO[C@@H]1CC2(CC[C@@H]1O)CC2 2239508848 ZDODMNORMKKARX-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccc(F)c(C)n1 2239579365 RJJBKDWSULVMOV-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE CCCCCCCCN[C@H]1CCc2c(OC)cccc21 2240175790 NGLNFBSRSRKFGQ-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE C=C(C)CCOc1c(C)cc(CN[C@H](C)CC)cc1C 2240214721 PQHJNMWXIRVNEQ-MRXNPFEDSA-N 275.436 4.537 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CC[C@@H](CCC)C1 2240557352 XFNQILBVQHUPFK-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)C1(C)CCCC1 2240564603 DJMSMBLXYGXKPQ-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1C[C@@]12CCCOC2 2240627829 JKEIUMIWYANNLY-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@H](C)NCC#Cc1ccccc1 2240641078 XAFVACKOQCWSHZ-SFHVURJKSA-N 271.448 4.767 30 10 CJEE CCCCCCCC[C@H](C)NCc1nccn1C(C)C 2240641120 XMCAUSBHJXVDRB-INIZCTEOSA-N 279.472 4.693 30 10 CJEE C=CCCCSC[C@@H](N)c1cc(Cl)ccc1Cl 2250014853 COYUCKJWEYLUOS-CYBMUJFWSA-N 290.259 4.693 30 10 CJEE C=CCCCS[C@H](C)C(=O)c1cccc(Cl)c1 2250036845 HLCVCUVXAZVSET-LLVKDONJSA-N 268.809 4.611 30 10 CJEE CC(C)(C)[C@H]1C[C@@H]1COCCCCCCCS 2252608780 CLZYUGMMCDPTTL-KGLIPLIRSA-N 258.471 4.566 30 10 CJEE C=CCC[C@@H](NCC)c1cc(C)c2sccc2c1 2256901161 TYTGIRUROZCLHQ-OAHLLOKOSA-N 259.418 4.827 30 10 CJEE C#CCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2258585467 IJUFVNMEWVMGJQ-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](SC)C1CC1 2259193800 GFZKFFRGYCVSEQ-CVEARBPZSA-N 269.498 4.633 30 10 CJEE C=CCCCC[C@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264902167 AYZJXPKGLIVCIQ-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=CCCCCCCCS[C@H]1[C@H]2CCC[C@H]2C[C@H]1N 2271597235 SAVKFQBTCFPNET-NXOAAHMSSA-N 281.509 4.762 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1csc(C)c1OC 2271656421 CYUPDNZJEYYSSZ-DOMZBBRYSA-N 281.465 4.708 30 10 CJEE C=C(C)CCCC[C@H](N)[C@H]1CCCC[C@@H]1C(F)(F)F 2271786288 VBGVYCFZDPFYAF-IHRRRGAJSA-N 277.374 4.819 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1csc(CC)n1 2271789764 FOIYHXGAXOLTJC-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE C[C@@](O)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2274072311 JPKBRLVNTFJVDL-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE C=C1CCC(C[C@H]2[C@@H](O)C(C)(C)CCC2(C)C)CC1 2274564844 NHNUGMWKLFRYIB-JKSUJKDBSA-N 264.453 4.946 30 10 CJEE C=CCCCCC1(OCCCN)CCCCCCC1 2276495044 DKCXVBREIOLZLI-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CC[C@H](C)C1 2276542686 IITKMTBDNMVKKZ-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@](C)(CCC(C)(F)F)OCCN 2276560563 GFVNRLZFIXXQAH-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cccnc1F 2278172627 AIKJNSUHSWJTFY-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE CCCC[C@@](C#N)(CC)CC1(COC)CC(F)(F)C1 2278183567 RFJJNNJGWOKYTE-ZDUSSCGKSA-N 273.367 4.549 30 10 CJEE C=CCCC[C@@H](C[C@@H]1CC(F)(F)C12CCC2)NCCC 2281078912 GBKRQTXCNHVCMB-CABCVRRESA-N 285.422 4.927 30 10 CJEE CC(=NO)c1ccc(OC[C@@H](C)CC(C)(C)C)cc1C 2283257514 GYZQXIFFDRHYCG-LBPRGKRZSA-N 277.408 4.644 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1c(C)cccc1N 2283505304 DCOFQOJNAUAVDU-QGZVFWFLSA-N 275.436 4.917 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C#N)CCCC(F)(F)C2)c1 2284618433 ZYJZQHRGUXHMQC-AWEZNQCLSA-N 299.748 4.610 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@]1(C)COC)NCC 2284650875 QMJCVZLASCLYGI-KZNAEPCWSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCS[C@H]1[C@H]2[C@@H](C[C@H]1NC)C2(C)C 2287192928 NUSLIKYFBFZFRE-QBPKDAKJSA-N 295.536 4.879 30 10 CJEE CCCC[C@](C#N)(CC)C[C@@]12CC[C@@](C(F)F)(CO1)C2 2287221435 MBANTLGQUPKZCT-OWCLPIDISA-N 285.378 4.691 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cnc2ccccc2c1 2287467808 QELJIYGXDJWPGJ-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CC(C)CCC[C@H](C)CCNCc1ccc(C#N)cc1 2287923015 DXFJWSUQYHMVKG-INIZCTEOSA-N 272.436 4.500 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)C2CC(C(C)(C)C)C2)C1 2289969668 UKLKZJFXQSPZJH-VYHHCALRSA-N 277.452 4.530 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2ccc(CC#N)cc2)C1 2290268056 DKYGPMOCLRDTQB-INIZCTEOSA-N 270.420 4.769 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC[C@H]1C)OCCCN 2293019128 LWTCIXNLRCDDNC-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)C(C)(C)C1CCCC1 2293111280 KVDNSVXNZNAKFH-WBVHZDCISA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCC[C@H](CC)CC1 2293142292 PLGKAIJMEDBPME-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H](C)C[C@@H]1C 2293407075 FJXUSMHSHNAUAX-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C#CC[C@H](C)C[C@@](C)(CCCCCCC)OCCCN 2294047836 LIZCCEJPGTWWTB-ZWKOTPCHSA-N 281.484 4.521 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)CC(C)(F)F 2295679996 VCYZNJJJIJQRKC-LSDHHAIUSA-N 293.442 4.511 30 10 CJEE CCCN[C@@H](C#CC1CC1)c1cc(Cl)sc1Cl 2300350852 GBIWNFQRKPSYQQ-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=CCC(CC=C)C[C@@H](N)c1cccc(Br)c1 2301063591 VGHKIRBRURDYSR-OAHLLOKOSA-N 294.236 4.607 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)sc1C 2304053452 VUXNZGZCKMPZAX-CQSZACIVSA-N 251.439 4.618 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(C(F)F)cs1 2304079709 XQDPHVDFKFFGJI-CYBMUJFWSA-N 258.333 4.861 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@H]2CC[C@@H]21 2308177803 XVYJRTMJYTXTLK-IHRRRGAJSA-N 259.418 4.565 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1csc(C2CC2)c1 2316739072 NRWAZMYGIPUHKD-MRXNPFEDSA-N 261.434 4.654 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(F)c(C)cc1Cl 2319296045 JXMDYPJQWHTFIM-HNNXBMFYSA-N 269.791 4.794 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(C)cc1SC 2319613045 RVERZOQGNKFHOI-UHFFFAOYSA-N 260.402 4.668 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(CC(C)(C)C)C1)NC 2321097801 FGPRXEULSXOONF-SLTXQBBLSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](CCCCCCC1CC1)NCC 2321148451 PDAFGYZHZCEHPU-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CSc1cc(S[C@H]2CCC[C@H](C)C2)ccc1C#N 2328527932 BDNXCZKVAMTUFX-AAEUAGOBSA-N 277.458 4.951 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1 2332700745 VXINQDRGQWSLJD-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)ccc1CN[C@@H](C)CC 2335230320 XVMYZSMIWFAIFI-LSDHHAIUSA-N 277.477 4.940 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1csc(C(F)(F)F)c1 2337101645 LIPITURYJIBTLB-NEPJUHHUSA-N 289.366 4.601 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C(C)(C)C)C1 2337103394 VOEGNVVDPYYYPA-TWMKSMIVSA-N 263.469 4.926 30 10 CJEE CCCCCCCCCC[C@H](C#CC1CC1)NCC 2337430787 ZALCOBDCGCKJEC-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)[C@H](CC)CC(C)C 2338247943 AYRALCJXIUDJSD-WBVHZDCISA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@]1(C)CCCSC1 2338735022 HMPMXLWCYSDNJF-DLBZAZTESA-N 281.509 4.656 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1(C(C)(F)F)CCC1 2338747523 QQDRDIUKUMSTTF-AWEZNQCLSA-N 271.395 4.558 30 10 CJEE CCCCCCC[C@]1(C)NCC(C)(C)[C@@H](C(C)C)O1 2340440250 JQECSZDJMMXOHT-NVXWUHKLSA-N 269.473 4.734 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)C1CC2(C1)CC(C)(C)C2 2344347180 ZNXOTKGGYCBELP-RDJZCZTQSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cc(C)ccc1C 2344372083 PHWQIVIFWRDGAQ-QGZVFWFLSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(Cl)ccc1F)NC 2344395122 HWJUISMFDPYLIC-HZPDHXFCSA-N 283.818 4.602 30 10 CJEE C=CCCCSC1(C(=O)O)CC2(CCCCCC2)C1 2352201598 MHSKFHWXTQUARM-UHFFFAOYSA-N 282.449 4.644 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCCC[C@@H]1C(C)(C)C 2352204568 ZMXOWJZPAUHLIK-CJNGLKHVSA-N 284.465 4.746 30 10 CJEE Cc1c(Cl)ccc([C@](C)(O)C2(C#N)CCCC2)c1Cl 2353221125 FZXUPHCVOOQHNU-AWEZNQCLSA-N 298.213 4.593 30 10 CJEE CC(C)C[C@H](CS)COc1cccc(C(F)(F)F)c1 2353826327 GENSTQWABCNRAH-NSHDSACASA-N 292.366 4.676 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1cc(Cl)ccc1C#N)C2 2354151006 PLGSQFYFBRNSSC-KMFMINBZSA-N 288.822 4.982 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@@H]1C)NCC 2358948442 VSCINFCNFPOHJM-FJIDUMEYSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)OCc1cc(CNCCC)sc1C 2360216774 JIEBILXXVHOIAW-UHFFFAOYSA-N 293.476 4.594 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1F 36963991 MIAXWPQWYORLLL-JTQLQIEISA-N 274.726 4.524 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccccc2C)c(C)c1 57687023 IYUBTOAGFRCJHJ-SFHVURJKSA-N 293.410 4.997 30 10 CJEE N#C[C@@H](Cc1ccccc1Cl)c1c(F)cccc1Cl 57724149 ODZDBHWCUAJSFB-LLVKDONJSA-N 294.156 4.982 30 10 CJEE N#CC[C@@H]1CCCC[C@H]1c1ccc(Br)cc1 62670602 MHCZLPKPEFFFLL-SMDDNHRTSA-N 278.193 4.637 30 10 CJEE CC(C)c1ccc(Nc2ccc(F)cc2C#N)cc1 71575712 IUENFOUGNPZYDM-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE Cn1cc(/C=C/C(=O)c2cccc(Cl)c2)c2ccccc21 83201731 USUFHSHEWQQRNF-MDZDMXLPSA-N 295.769 4.728 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2)CCCc2ccccc21 87930103 YQSGWDRFPJUYKH-SFHVURJKSA-N 281.786 4.680 30 10 CJEE CCc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 96551552 QSNCQPIFXCVWOP-GHXNOFRVSA-N 270.759 4.799 30 10 CJEE CCC#CC[C@@H](C)c1cc(Cl)ccc1OCC 107582266 CWPYNIMBSMROAC-GFCCVEGCSA-N 250.769 4.646 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CCCNC1 109652692 RATAVNSJPQBLDF-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCOC(=O)c1cc(N)ccc1Cl 109895286 KNGRPCMVFQIBQF-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCCCCCCCCCCN(CC)CCCN 110105421 DHUATYNFQHLMAR-UHFFFAOYSA-N 270.505 4.578 30 10 CJEE CCCCCCCSc1cccc([C@@H](C)O)c1 113496435 NAIZWJYIDFUNTO-CYBMUJFWSA-N 252.423 4.802 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1Cc2ccccc21 114383589 XMELSDRJGGNJIV-ROUUACIJSA-N 259.437 4.794 30 10 CJEE CCCCCCCC[C@H](O)CSC1CCCC1 114867829 GDGUNAOFZZOGMG-AWEZNQCLSA-N 258.471 4.774 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(OC)cc1C 115064618 FGIDKAVFRYCWMV-QGZVFWFLSA-N 264.409 4.788 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(O)c1C 115858582 FDWMBSIKQUVMLP-UHFFFAOYSA-N 277.408 4.780 30 10 CJEE CCCCCCCSc1ccc(N)c(Cl)c1 118119803 FUOBIQDHRAJLHG-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCCCC[C@H](NCCC)C(C)(C)OC 118444614 ZGWCPEMVOBRGRT-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNCc1sc(C)nc1C 124781479 OMPYYZQDAGZNBF-UHFFFAOYSA-N 282.497 4.990 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)CCC)NN 131144306 DBCSXYMSIMIKEV-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE CCCCCCCCC[C@@H]1CSC[C@H]1NCCC 134624106 CDLPFRYFVFWPNU-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)c(OC)c1 158100265 KPXMDDMJBIJLFD-INIZCTEOSA-N 263.425 4.625 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(F)c1Cl 158117272 IKEFOBVVLNDVGB-CYBMUJFWSA-N 257.780 4.839 30 10 CJEE CCCCCCC[C@@H](NC)c1ccccc1OC(F)F 158121126 PGIMPRCVZNQWSK-CQSZACIVSA-N 285.378 4.909 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(F)cc1Cl 158914848 KWZPJHLUJSNSML-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE CC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 164097426 BZOPGTKZXMZSPC-YGRLFVJLSA-N 282.309 4.568 30 10 CJEE C=C(Br)CSc1ccc(O)c2ccccc12 164691858 NDVGCAQSTBYURJ-UHFFFAOYSA-N 295.201 4.546 30 10 CJEE CCCCCCCCCC[C@@]1(C#N)CCCOC1 203531081 SIIGQWHFYCZXES-INIZCTEOSA-N 251.414 4.838 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCC[C@H](C)O1 205196826 ZETUMAVIHHSWFQ-YESZJQIVSA-N 270.457 4.836 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CC[C@@H](C)C[C@@H]2C)CC1 218555318 JRIZGUBCEJXEHT-YFVGIKETSA-N 277.452 4.530 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@H](C)c2ccccc2)cc1 219547261 LMOMLTGXRAPTFT-BEFAXECRSA-N 278.399 4.725 30 10 CJEE N#Cc1cc(F)cc(Nc2ccc3sccc3c2)c1 227620741 TZWPSMNQNWDALZ-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c2cccnc12 227856762 PQXQMEBCTAFLMQ-SWLSCSKDSA-N 299.805 4.773 30 10 CJEE C=CCCCCCOc1ccccc1Br 232464588 RKQMICNFUOKEDO-UHFFFAOYSA-N 269.182 4.574 30 10 CJEE Cc1cccc(N[C@H]2CCC[C@@H](C(C)C)CC2)c1C#N 232730546 SAYJYKFUWRCHLE-CVEARBPZSA-N 270.420 4.884 30 10 CJEE CCCCCCCCCCCC[C@](CC)(CN)CO 232918605 WOAPWGCCSHRCBT-QGZVFWFLSA-N 271.489 4.645 30 10 CJEE CCCCCCCCC[C@H](CO)Nc1cccc(F)c1 232984050 CMRQKIGTSFGDLA-QGZVFWFLSA-N 281.415 4.739 30 10 CJEE C=CCCCCCC(=O)[C@@H](OCC)C1CCCCC1 233760037 BBRGNTOHKGUDDX-KRWDZBQOSA-N 266.425 4.677 30 10 CJEE CC[C@H]1CCCC[C@@H]1OCCCCC(C)(C)C#N 234034878 GEYKANVKENFRGU-GJZGRUSLSA-N 251.414 4.692 30 10 CJEE C=CCCCCC[C@@H](O)CSC1CCCCC1 236547927 CORFLGUCSFHMME-CQSZACIVSA-N 256.455 4.550 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(C)ccc2C(C)=NO)C1 252464279 UCWDLBDQRUCLRL-CABCVRRESA-N 275.392 4.541 30 10 CJEE CCc1cc(CC)c(C2=CCCCC2=O)c(CC)c1 311545267 KDVKCQSDHNJATL-UHFFFAOYSA-N 256.389 4.510 30 10 CJEE CCCCCCC[C@@H](C#Cc1ccccc1)NCCC 314961025 PPDFBTMYRBQOFP-IBGZPJMESA-N 271.448 4.767 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN(CC)C1 328509986 NFFRTCLFATWEDI-GOSISDBHSA-N 283.500 4.754 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)[C@@H]1CC2CCC1CC2 382249542 WZLKLKDGGBUXAO-VXLLPVPCSA-N 276.468 4.511 30 10 CJEE Cc1ccc(C)c(C#Cc2cc(Br)cs2)c1 383420901 ORWFTRRNGSVCHN-UHFFFAOYSA-N 291.213 4.527 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc2ccccc2s1 383517065 GULHHVMFBDLKKP-HNNXBMFYSA-N 285.456 4.992 30 10 CJEE Cc1cccc(N=C2N[C@@H](C3CCCCC3)CS2)c1C 386043715 TYPQPSTYBMSSMU-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE CC[C@@]1(C)CCSC(=Nc2cccc(C(F)F)c2)N1 386265711 XGQAVNFKLAMJCQ-AWEZNQCLSA-N 284.375 4.507 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2cnccc2c1 393262914 DSAQFNOYOYFTDM-GOSISDBHSA-N 270.420 4.856 30 10 CJEE Cc1cc(Cl)cc([C@H](C#N)Nc2cccc(Cl)c2)c1 395226193 PUODYMXCSLGURJ-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CCCCCCCCO[C@@H](CNC(C)C)C(C)(C)C 396020317 IUZJGYSOKGDAMK-INIZCTEOSA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Br)oc1C 396525624 GKHQGSCUKBCGSI-GFCCVEGCSA-N 288.229 4.711 30 10 CJEE CCCCCCCCCCN[C@H]1CCCC1(F)F 398211235 SGTWWIIKDNFBGJ-AWEZNQCLSA-N 261.400 4.905 30 10 CJEE CCCCCCCCC[C@@](C)(F)C1CCNCC1 400515291 MUMMIQVVUCEONF-MRXNPFEDSA-N 257.437 4.855 30 10 CJEE C[C@@](C#N)(C[C@@H]1CSc2ccccc21)c1ccccc1 405563438 AXDFVBUGORIMPK-KDOFPFPSSA-N 279.408 4.747 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cccc(C(F)F)c1Cl 499423040 OJZUAKHUVVQOBR-UHFFFAOYSA-N 287.737 4.818 30 10 CJEE N#Cc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 514260101 KDDZJRAWXLHIRR-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE Cc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 575340726 ANLGYHSDDJSYAE-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE CC(C)(C)N1C[C@@H](c2ccccc2C#N)Cc2ccccc21 616673883 STTSTERSFMZRMB-KRWDZBQOSA-N 290.410 4.503 30 10 CJEE CCC(F)(F)C(C)(C)Cn1ccc2c(C#N)cccc21 690999816 KUFLIANIKPHGCY-UHFFFAOYSA-N 276.330 4.584 30 10 CJEE CCCC[C@](CC)(CCCCC(C)(C)C#N)C(=O)O 691765870 MDKQQNYYTKLKLQ-MRXNPFEDSA-N 267.413 4.768 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)oc1C 692274699 DSQCEOKQHFDRIZ-FRFSOERESA-N 261.409 4.682 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693376859 BQIWNIXQZBPAFP-APIJFGDWSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)CNCC 696316110 CLEMGCUGBHUDLP-MSOLQXFVSA-N 285.516 4.904 30 10 CJEE C=CCCCCCCN[C@@H](C)c1nc(C)c(C)s1 701944954 LJDZBXQXHCVVGA-ZDUSSCGKSA-N 266.454 4.547 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(CCCC)cc1)C(C)(C)C 702247538 SGGJIMVFRMRERZ-QAPCUYQASA-N 271.448 4.728 30 10 CJEE N#Cc1ccc(N2CCC(C3CCCC3)CC2)cc1Cl 708857394 IZZVLENDJLIOHX-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H]2C[C@H]21 709422778 OTTXDUHWZBHCTB-VQHPVUNQSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@H](CC(C)(C)CC(F)(F)F)NN 709920071 UFIUVZVOVUXVNW-GFCCVEGCSA-N 282.394 4.548 30 10 CJEE C=C(C)[C@@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712548369 ALQBXKOHXVUNMH-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@H]2CCCS2)C1 715843656 RDAIBUIBESECIW-ZDUSSCGKSA-N 268.466 4.694 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1Nc1ccc(Cl)cc1C#N 717552087 DELBHJSSUAWYEB-IAQYHMDHSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCSC(=N)NC(C)C 719115326 IIFRREFBRFCSJF-UHFFFAOYSA-N 258.475 4.793 30 10 CJEE C=CCCCCCC1(CNCCC)C[C@H](C)O[C@@H](C)C1 724234925 MCLFKIBWTVVARR-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)s2)CC1 724553360 HRENYBCDLMQVKJ-GFCCVEGCSA-N 269.841 4.799 30 10 CJEE C#C[C@H](NCc1cc2ccccc2s1)c1ccc(F)cc1 812794243 WHGSQBKFQSIRCK-KRWDZBQOSA-N 295.382 4.505 30 10 CJEE C=C1CCC(C(=O)Nc2cccc3ccccc23)CC1 1124243565 MCIDRGIANKMGPE-UHFFFAOYSA-N 265.356 4.525 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)CCCC1 1126162869 JVUMZWSBOSRAFK-AEFFLSMTSA-N 297.442 4.528 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)ccc1NC(C)C 1166241720 SUANAGAUZZGBFN-UHFFFAOYSA-N 294.826 4.701 30 10 CJEE C=CCN(Cc1ccc(Cl)cc1O)CC1CCCCC1 1180291358 ABPZXMCIAABLCO-UHFFFAOYSA-N 293.838 4.614 30 10 CJEE C=CC[C@H]1N(CCC2(C#N)CCCCC2)CCCC1(C)C 1193919995 ITHVCJUYWJZFNV-QGZVFWFLSA-N 288.479 4.917 30 10 CJEE C=CC[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1 1196442652 SIHDFZFIGHIHIY-KRWDZBQOSA-N 295.426 4.507 30 10 CJEE C=CCCc1ccccc1NCc1ccccc1CC 1202133952 CBVCFWYKVCGCKT-UHFFFAOYSA-N 265.400 4.980 30 10 CJEE C=C(C)c1cccc(N[C@H](C)[C@@H]2COc3ccccc3C2)c1 1207741443 HCPUOHYSHHZYTD-QAPCUYQASA-N 293.410 4.771 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1cccs1)C(CC)CC 1355124444 HLEBVZFUBFXSRA-CXAGYDPISA-N 293.476 4.944 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc3ccccc3c2)C1 1461162872 XZLLLZFRFQDVCY-OXJNMPFZSA-N 279.427 4.717 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)ccc1OCC 1474086591 SIXKZEUMZIDGJI-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE C=CCCC(=O)O[C@H](c1ccc2c(c1)CCCC2)C(C)C 1531769358 VBZAPAMNVBQSOE-IBGZPJMESA-N 286.415 4.772 30 10 CJEE C#CCCCCCC(=O)Nc1ccccc1C(F)(F)CC 1532722632 SEACPFRUUJKJMR-UHFFFAOYSA-N 293.357 4.711 30 10 CJEE C=CCCCCCN(CC)Cc1ccc(Cl)cc1 1559507501 XODXZNVYRQNWLY-UHFFFAOYSA-N 265.828 4.908 30 10 CJEE C=CCC[C@H](NC(=O)NCCCCCC)c1ccccc1 1563434729 LLTUUDLJHNHKAU-KRWDZBQOSA-N 288.435 4.573 30 10 CJEE C=CC[C@H](CC)Nc1ccnc(CSc2ccccc2)n1 1612371162 YKLIMMLEUKDFRE-AWEZNQCLSA-N 299.443 4.536 30 10 CJEE CCCCOc1ccc(C#Cc2cc(F)ccc2F)cc1 1614826294 ZQDYCSIUKCDKGS-UHFFFAOYSA-N 286.321 4.544 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 1623836386 WDRQWTNIDJNLLL-HXUWFJFHSA-N 299.458 4.559 30 10 CJEE C=C1CCC(CNC(=O)/C=C(\CC)c2ccc(C)cc2)CC1 1625700240 YKVUVOMVPWTKBY-QGOAFFKASA-N 297.442 4.651 30 10 CJEE C=CCCCCN1CCC(Nc2ccccc2Cl)CC1 1642024992 JUDUKBWLKXKROW-UHFFFAOYSA-N 292.854 4.573 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@@H](C)c1ccc(F)cc1 1652654105 DVLOXBGOIUFSRX-UZLBHIALSA-N 297.417 4.706 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)Cc1cccc(F)c1 1652654951 REVBQOJBLNZSCE-UZLBHIALSA-N 297.417 4.534 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCc3ccccc3C2)c(Cl)c1 1653184181 GDDLERAJWMFOIC-QGZVFWFLSA-N 295.813 4.681 30 10 CJEE C#Cc1cccc(N(CC)Cc2c(C)cc(C)cc2C)c1 1653761695 FMRZODMIICGOCA-UHFFFAOYSA-N 277.411 4.620 30 10 CJEE C=CC[C@@H]1N(Cc2cccc(CC)c2)CCCC1(C)C 1654318361 RQOOJPGXMVEFNJ-SFHVURJKSA-N 271.448 4.816 30 10 CJEE N#Cc1ccc(CSC2CCC(F)(F)CC2)cc1F 1656927485 MTQYMSKOKPKIMP-UHFFFAOYSA-N 285.334 4.508 30 10 CJEE C=CCCCCCCNCc1cscc1C(F)(F)F 1657937353 WUNMUWJOADFYQG-UHFFFAOYSA-N 291.382 4.993 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CC[C@H](c2ccccc2)C1 1658696804 FNVQKMZJMANELZ-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](C)c2ccc(Cl)cc2)C1 1659399310 CBFNZNUMKQMTLC-XEZPLFJOSA-N 263.812 4.735 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@H](CCC(C)C)C2)CC1 1663224004 SDWGJHQNBWLKQW-WMZOPIPTSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](CC)N[C@H](Cc1cccnc1)C1CCCC1 1665510839 RWNVAZYKAVKVHY-RBUKOAKNSA-N 286.463 4.517 30 10 CJEE C=CCN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1C 1860027636 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2159519214 QIGGARPEAPERLZ-KFWWJZLASA-N 296.524 4.700 30 10 CJEE C=C1CC(CNCC(C)C)(Cc2ccc(C)cc2Cl)C1 2159585504 VSMYSVVGETUWMK-UHFFFAOYSA-N 291.866 4.773 30 10 CJEE CC1(OC2CCC(C(C)(C)C)CC2)CCC(=NO)CC1 2161419667 RYCHCQDWMWAMIZ-UHFFFAOYSA-N 281.440 4.771 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)CCCN2C 2163214501 XQBHAFFMHNOCPZ-UHFFFAOYSA-N 273.420 4.612 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@H]2C(C)(F)F)CC1 2164432158 UVDPQJJTXHNKFR-OAGGEKHMSA-N 285.422 4.782 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1cccc(C2CC2)c1 2167606137 CHMHQVCWKVAXFK-GOSISDBHSA-N 269.432 4.654 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2 2167609225 PJPFALKGNXWTKM-ZIFCJYIRSA-N 275.480 4.765 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CCCCCC2(F)F)CCC1 2168024500 UYHIFZPJUMTEKB-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE C=CC1(C[C@@H](Cc2ccc(C)cc2)NCCC)CCC1 2168031793 TXUBYKNRVSLPLF-GOSISDBHSA-N 271.448 4.652 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)[C@H]2CCCC(C)(C)C2)c1 2168572448 WEDMVLVVKNGMIL-ZBFHGGJFSA-N 270.420 4.884 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1ccccc1CCC)NCCC 2173290381 MUQBFGYWDJSCIU-LPHOPBHVSA-N 273.464 4.762 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc(C)c(C)cc1C 2173497831 OZCUMYBTQYOETP-IBGZPJMESA-N 271.448 4.846 30 10 CJEE N#C[C@@]1(c2ccnc3cc(Cl)ccc23)CCCC12CC2 2173611926 LBYTUKXFVSZJOV-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE C=C[C@@](N)(CCC)Cc1ccc(-c2ccccc2)cc1 2176385379 LARKULBORATGSK-LJQANCHMSA-N 265.400 4.580 30 10 CJEE CCCCCCCCCCCCCC(=NCCC)NN 2177835265 JPXBHSQTEQVGOR-UHFFFAOYSA-N 283.504 4.959 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@]12CCCNC2 2186068822 LBDHMBVWBURSNC-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE CCCCCCCCC[C@H](NN)c1csc(CCC)n1 2188860777 BBZJMHQDYHCLFR-AWEZNQCLSA-N 297.512 4.741 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@@]1(C)C(C)C 2191204963 GRPWPDINIIGNTC-ROUUACIJSA-N 282.516 4.575 30 10 CJEE CCC1CCC(C[C@]2(C=O)CCc3ccccc32)CC1 2193009496 ZUHOQEXTLMQMAT-RJYAGPCLSA-N 270.416 4.676 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC1(CCC)CC1)NC 2195255514 AFAHPHDURSRCGO-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE C=C(CN1CCC(C2CCCC2)CC1)c1ccccc1 2195504713 VLVNJLMABMLBCI-UHFFFAOYSA-N 269.432 4.602 30 10 CJEE C=C1CCC(CN(C)Cc2csc(C(C)(C)C)n2)CC1 2195959458 MXJVKFDPEIJYDX-UHFFFAOYSA-N 292.492 4.619 30 10 CJEE CCCCCCCCN(C)C[C@@H](C)c1ccc(N)cc1 2196741647 PGJDHMCFZVJODV-MRXNPFEDSA-N 276.468 4.665 30 10 CJEE C#CC[C@H](CN[C@@H]1CCC[C@H](C(C)(C)C)CC1)C1CC1 2196808332 CAHFNWGZUPDFMI-FGTMMUONSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](N)C1CCC(C(C)(C)C)CC1 2197151493 PDLNTGMKXPDQSC-ABHNRTSZSA-N 271.448 4.880 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C1CC2(CCC2)C1 2197155455 PWQDIDXNXCYTAL-GOSISDBHSA-N 269.432 4.648 30 10 CJEE C=CCCCCCCN[C@@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2197440166 LPQJGMBMQVWIJJ-MAQDGTSESA-N 275.480 4.927 30 10 CJEE CCCCCCCCC[C@@H](O)C1(N)CCC2(CC2)CC1 2202365558 BVEKZQKDBGGBDU-MRXNPFEDSA-N 281.484 4.540 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1cc(F)cc(F)c1 2203786852 XZQDSJLDPBZMBU-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE CCCCCC#CC[C@H](O)c1ccccc1CC(C)C 2203787881 RZCYXZWZMNVAHR-IBGZPJMESA-N 272.432 4.892 30 10 CJEE CCCC#CC[C@@H](NCCC)[C@H]1CCCC(F)(F)CC1 2203794235 ZGLTYDNMOCNSEC-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CCCC#CC[C@@H](NCCC)c1c(F)ccc(Cl)c1F 2203806157 BAUIMHSAZCCXJP-CQSZACIVSA-N 299.792 4.853 30 10 CJEE CCCCC#CCC(=O)c1ccc(Cl)c2cccnc12 2203879385 DZRARBKWXTZYDZ-UHFFFAOYSA-N 285.774 4.655 30 10 CJEE C=CCCCCCC[C@@H](N)c1cnccc1C(F)(F)F 2206887726 ZHBWCFYVQQCPAQ-CQSZACIVSA-N 286.341 4.627 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(O)CC[C@H](C)C1 2207376070 WGPXMWSTBPPGPR-FUHWJXTLSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@]1(CCC)CCCN1 2207397023 QEBRORUVKJWKKL-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H](O)C(CC)CC 2207397772 VPKNKBJFXSZXSA-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@H](NCCC)[C@@H](N)CC 2207413262 JBZUXIAPUJRQTE-ROUUACIJSA-N 282.516 4.789 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1C 2207447675 HGSQWUFGLGHDST-SJORKVTESA-N 297.870 4.760 30 10 CJEE C=C(C)CN(C/C=C/c1ccccc1)Cc1ccccc1 2209563123 OEVLGHPBXFGOBX-NTEUORMPSA-N 277.411 4.778 30 10 CJEE CCC(=CC(=O)c1cc(F)c(C)cc1Cl)CC 2212795846 RCHBCXQEJSGRJB-UHFFFAOYSA-N 254.732 4.717 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(Br)cc1C 2215869648 DGEPVFPOGVVFSB-XHDPSFHLSA-N 296.252 4.620 30 10 CJEE C=CCCCCCCCNCC1(C)CC(C)(C)C1 2220083538 GLCMBGJOYCYORX-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C[C@@H](CCCCC)Oc1c(N)ccc(F)c1Cl 2223222314 UESRRPAHWJNRFM-JTQLQIEISA-N 271.763 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)CC[C@H](C)COC 2223840820 XAUYTSHRHPFGQD-JKSUJKDBSA-N 258.446 4.551 30 10 CJEE CCCCCCCCNc1cnn(C(C)C)c1Cl 2223844882 YJPIFFVNEYYZHF-UHFFFAOYSA-N 271.836 4.890 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc2occc2c1 2224175734 GPRRABMANIQVHX-CQSZACIVSA-N 263.768 4.616 30 10 CJEE CCCCCC#CCN1CCC[C@@H](CC=C(C)C)C1 2225008855 GDHJARZQADHELV-SFHVURJKSA-N 261.453 4.638 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@H]1CCC[C@@H](CC)CC1 2225417586 NLLBVXZWVQADRW-IXDOHACOSA-N 263.469 4.621 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)CCCC1 2225675970 XCQHHCMLAJVCDN-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE CCCCCCCCCC[C@H]1CCN[C@H](COC)C1 2226245600 FAHKVHOWIWHDFP-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCCCCCCCC(=O)CC[C@@H]1CCCCO1 2227274489 WFQSEHLMRGDEJA-KRWDZBQOSA-N 266.425 4.822 30 10 CJEE CCCCCCCCCO[C@H](CNCCC)C(C)C 2230989820 LABFWBVSCBMXMA-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@@H](NCC)C1 2231014477 FFNYLFQMHBMPIE-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NCCC)C(C)(C)C 2231026309 HOYNVHXFQSCDQC-CVEARBPZSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCCOc1cc(N)ccn1 2231080501 UGUMLWALWJPAQP-UHFFFAOYSA-N 264.413 4.573 30 10 CJEE CCCCCCCC[C@@](C)(CCO)[C@H](N)CCCC 2231906235 JTXMASFWZCZLBH-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)CC1(COC)CCC1 2231908412 XYLTUMLRBLLIDC-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE Cc1cc([C@]2(C#N)CCCC(C)(C)CC2)ncc1Cl 2232006337 SIQSLMNLAZEAKW-MRXNPFEDSA-N 276.811 4.795 30 10 CJEE C=CCC[C@@H](C)[C@@H](CC1CC(OC(C)(C)C)C1)NCC 2232951659 CKBIWDIEVBFMJL-RDHHWEPZSA-N 281.484 4.551 30 10 CJEE C=CCCC[C@H](C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)NC 2233671464 NGIHIRLMCYYYAF-QKPAOTATSA-N 285.422 4.782 30 10 CJEE CC(C)(C)C#C[C@@H](O)c1ccc(-c2ccc(F)cc2)s1 2233922922 XTLKYZJVZOLHMO-CQSZACIVSA-N 288.387 4.637 30 10 CJEE C=CCCCCCCCCOC[C@H](O)c1ccccc1 2234049139 TWYBJQVZIPIVIV-SFHVURJKSA-N 276.420 4.653 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(O)C1CCCCC1 2235520676 BKYLJZHMMKQKOI-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@]1(O)CCCC[C@H]1CC 2235521172 GYJWHKRXZVTQQG-FGTMMUONSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCn1ccc(C(=O)C(F)(F)F)c1 2235525212 YPMFYVPKDUISLU-UHFFFAOYSA-N 287.325 4.760 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H](O)C(C)(C)C 2235533119 REYFMWHLLLWRBN-IAGOWNOFSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1CO[C@@H](C)C1)NCC 2235541077 DLXGBHQGGIQBQD-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 2235541314 GZMIZRCJPBFCGJ-RYRKJORJSA-N 280.452 4.659 30 10 CJEE C=CCCCCC[S@](=N)(=O)C12CC3CC(CC(C3)C1)C2 2238171506 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2240665779 GTWYNWJJULEQAI-NNPSNHGLSA-N 281.484 4.529 30 10 CJEE CC1(C)C[C@H]1CSCC1(CS)CCCCC1 2242833836 OQSXUWXXEZVUBD-LBPRGKRZSA-N 258.496 4.646 30 10 CJEE CC[C@H](CS)CSC[C@@H]1CCCCC1(F)F 2243508531 CEZNBGDLBKWZQY-MNOVXSKESA-N 268.438 4.501 30 10 CJEE CCCCCCCCC(=O)c1cocc1Br 2244214820 XVPQODQJAXOJKH-UHFFFAOYSA-N 287.197 4.975 30 10 CJEE C=C(Br)CN(C)CC[C@@H](C)CCCC(C)C 2244872403 RXMMLBSXZVAGPM-ZDUSSCGKSA-N 290.289 4.679 30 10 CJEE C=CCCSC[C@@H](NCCC)c1ccc(Cl)s1 2250058333 BCQPSPHNLYRDDZ-LLVKDONJSA-N 289.897 4.752 30 10 CJEE C=C(C)CCCCSc1ccc([C@@H](C)O)cc1 2250157592 AEQJAEHESFLJLP-CYBMUJFWSA-N 250.407 4.578 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1cc(Cl)cc(Cl)c1 2251019332 ZDHAZMJOBFMHQH-WDEREUQCSA-N 272.219 4.856 30 10 CJEE CCCC[C@@H](CC)N(C)CCCCCCCS 2252648443 BHKFBYHQAKJLSD-OAHLLOKOSA-N 259.503 4.767 30 10 CJEE CCCCCCCC[C@@H]1CN[C@@H]2CCCC[C@H]2C1 2253806388 AJAUDWWFSJWFAD-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1CC(SC)C1 2256719642 AYWPNNOWNZMYFV-UYSNPLJNSA-N 269.498 4.762 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(CSC)cc1 2259185477 XBABMRLLXODUJW-UHFFFAOYSA-N 262.418 4.869 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CC(C(C)C)C1 2259195916 APCIHWREFANISC-OFLPRAFFSA-N 251.458 4.783 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](F)C1CCC1 2259211192 LGZIGQLABYEIGN-CVEARBPZSA-N 255.421 4.629 30 10 CJEE C=C(CC)C[C@@H](NCC)C1CC(CC(C)(C)C)C1 2261182044 NGAOJUOPLAOZJW-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2261440306 AHONATFPGMJCGG-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE CCCC[C@H](CC)CSc1ncc(C#N)cc1C 2263768075 FQBUCMDWZPNURR-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE C=C([C@@H](C[C@@H]1CCCCC12CC2)NCC)[Si](C)(C)C 2264895104 ORFYUMLIIMFVGC-JKSUJKDBSA-N 279.544 4.759 30 10 CJEE C[C@@H](Nc1c(F)cccc1C#N)c1cccc(Cl)c1 2265754532 CYBBCYVUPIZPOO-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(CCC)cc2)CC1 2268240953 BHCHUAGWZZZIRV-SFHVURJKSA-N 258.405 4.809 30 10 CJEE C=C1CC(CCCCC[C@H]2C[C@@H]2C)(CNCCC)C1 2269467848 JMBRYBRJUIFEAT-IRXDYDNUSA-N 263.469 4.929 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CCC[C@H]1C(F)F 2270038664 BXJNLGRHEWXSGY-WOSRLPQWSA-N 272.379 4.843 30 10 CJEE C=CCCCCCOc1cc(C)c(Cl)cc1[C@H](C)N 2270959241 HBTGHSJNJLYDSM-ZDUSSCGKSA-N 281.827 4.793 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(F)c(F)cc1F 2271796275 DOVURGDTDQBRRQ-OAHLLOKOSA-N 271.326 4.501 30 10 CJEE O=C[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCCC12CC2 2273406465 XJIXDKYOQVJXRE-SOLBZPMBSA-N 260.421 4.886 30 10 CJEE C[C@@](O)(C#CC1CCCCC1)c1cccc(Cl)c1Cl 2274059551 BYUKDMUKPSPGBJ-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE CCCC[C@@H](C)[C@H](CC#CC1CCCC1)NCCC 2274119477 DJTUYJXNTIHRAE-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CC(C)(C)CC1CC(C(=O)CC#CC2CCCC2)C1 2274211492 CDKAKKFYFLRMIS-UHFFFAOYSA-N 260.421 4.602 30 10 CJEE CCCCCCCC[C@@H](CC1CCCC1)OCCN 2276441275 SDDUSNJGUXDWEH-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)C1CCCCC1 2276452866 NZDRDYZHZLQYFH-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@H](C)C1 2276606586 WLSBWEMKUXZHCA-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)C(C)C)OCCN 2276748226 BNWQFUKMNJAOGU-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CC=C(CC)[C@H](CCCCCCCC)OCCCN 2276870008 WDBDILOSWPXNNP-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE Cc1cc(NCc2ccc(C#N)cc2)c(Cl)cc1Cl 2277438790 AMRYZFQPXDKUCN-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE SCCCCCCCN1CCCCc2ccccc21 2277501002 LLMADUSVNJYOOB-UHFFFAOYSA-N 277.477 4.710 30 10 CJEE Cc1sc(CN(C)CCCCCCCS)c(C)c1C 2277504397 XZKCWYNAVHQTFC-UHFFFAOYSA-N 299.549 4.985 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1OC 2278239765 MMZNERYZCVLVID-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ccoc1 2278243885 HXJATBJJUSFSCA-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C(F)(F)C12CC2 2278249058 AFKTUVOKERWESO-KBPBESRZSA-N 273.411 4.903 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1sc(C)c(C)c1C 2280020016 FWOIPOYMDGAVEU-CVEARBPZSA-N 297.508 4.785 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncc2sccc2n1 2280333779 VCIXMLRVYBHSMQ-INIZCTEOSA-N 291.464 4.616 30 10 CJEE C=CCCCCCCOc1ccc([C@H](C)NC)c(C)c1 2283249887 AEYSVLYELFCIKK-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC[C@@H](C)C1 2284089092 NPNCWBUFUWILGL-FGTMMUONSA-N 275.480 4.787 30 10 CJEE CC1(C)CC=C(C(=O)CCCCCCCCCN)CC1 2284911978 MPZDQCOWRKUEQP-UHFFFAOYSA-N 279.468 4.772 30 10 CJEE C=C(C)CCCCOc1ccccc1[C@H](C)NCCC 2287409657 XNCAINBPUANWGY-INIZCTEOSA-N 275.436 4.872 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C(C)(C)C1CCC1 2289683252 CGWNZHWRAZGDNU-SFHVURJKSA-N 275.480 4.765 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc2c(s1)CCCCC2 2289846327 SGMFNCNEGUAFTJ-MRXNPFEDSA-N 288.456 4.634 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H]1CCC(C)(C)C1 2289871391 WDSZIITVEZSHAN-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](CN)[C@@H](CC#CC2CCCC2)C1 2289873086 AECPDDGMQOBWQS-OKZBNKHCSA-N 275.480 4.607 30 10 CJEE CC(C)(C)CC1CC([C@H](N)CC#CC2CCCCC2)C1 2289944179 XUTPIWKEUACNBO-DAWZGUTISA-N 275.480 4.750 30 10 CJEE C=CC1(C[C@@](CC)(CCCCC)OCC(=O)O)CCC1 2290700479 KXQWVZKKJQMEPJ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@H](OCCC(=O)O)C1CC1 2291261111 OQXZUWWMPOMSFZ-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1CCC1(C)C 2292286261 URAHOEBKVQWKMZ-CABCVRRESA-N 284.440 4.643 30 10 CJEE C=CCC[C@](C)(C[C@@H]1CCCC(C)(C)C1)OCCCN 2292574700 UNDVLRCNBITFBK-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC[C@@H](CC)CC1 2292788840 ACYSTTDQKGJXBF-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCCC(C)=C1C 2292908207 XKUSREQFZFGVRO-GOSISDBHSA-N 279.468 4.747 30 10 CJEE CCC#CC[C@@](C)(CCCCCCCC)OCCCN 2293325026 JIVQFFSGBLGUBI-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CC[C@@H](C)[C@](CC)(OCCCN)c1ccc(Cl)cc1 2293515950 LVUQXKQDUGSFSJ-PBHICJAKSA-N 295.854 4.523 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)C1(C)CC(C)C1 2294015058 JODZUERXHKTAOF-LXPRWKDFSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@@H]1CCC[C@@H](CC)C1 2294220859 HBSZJMNYCGTHIF-MLHJIOFPSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(OCC)OCC 2295669169 RBYOBNIALSDEDQ-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](N)CCN1CC(C)C 2295677780 DRDVEXPPOJKDPB-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE C=CC[C@H](C)[C@@H](NC)[C@@](C)(O)CCCCCCCCC 2295679380 ORJQETAUSWFOJE-KSZLIROESA-N 283.500 4.678 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](CC=C(C)C)NC 2295684382 LNEBOUTWVCSEOY-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](C(C)C)N(C)C 2295691551 NDKLWUNJLULXJK-ROUUACIJSA-N 284.532 4.691 30 10 CJEE CCCCCCS[C@@H]1C[C@@H](CC)C[C@@](C#N)(NCC)C1 2295693240 CYVFAWVQZPKODW-BRWVUGGUSA-N 296.524 4.750 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnn(C2CCC2)c1 2296443307 NAZYTAAHESQBBU-QGZVFWFLSA-N 277.456 4.619 30 10 CJEE CCCCCCCCCCCCCC=C[C@@H](O)[C@H](C)N 2297748898 ZREXGWPJFRJAJU-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(Br)cc1CC 2304041973 RURLZTJYFKGWFB-AWEZNQCLSA-N 296.252 4.614 30 10 CJEE CCCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1C2 2312874994 NYGLXHAZZHEMCZ-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)OCc1cc(Cl)cc(Cl)c1N 2313537807 YGCHMCSJLNJBKI-UHFFFAOYSA-N 286.202 4.613 30 10 CJEE C=CC[C@H](C)Sc1cccc(Cl)c1C[C@@H](N)CC 2313637038 AIDXOPBLBPZWKV-RYUDHWBXSA-N 283.868 4.677 30 10 CJEE C=CCC(CC=C)[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C 2316743124 FEFMMCZAZNQLJO-USXIJHARSA-N 250.426 4.578 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(OC)c(Cl)s1 2317944890 ONCWYMZRJBTBQU-GWCFXTLKSA-N 287.856 4.663 30 10 CJEE C=CCC(CC=C)[C@H](O)c1c(Cl)cc(F)cc1Cl 2318359240 PSJRSWGSLWQYJY-AWEZNQCLSA-N 289.177 4.934 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC 2321129827 DPPOMBYHMLICLD-YLFCFFPRSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2321134831 QNDWMSLKNLGXJZ-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE C=C(C)C[C@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2325262650 PKVHZPYOUSZSON-LLVKDONJSA-N 290.209 4.619 30 10 CJEE N#CC1(Sc2ccccc2Cl)CC2(C1)CC2(F)F 2326920740 CHLBAIIXHJIOLP-UHFFFAOYSA-N 285.746 4.514 30 10 CJEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(C)cc1 2330246120 BWBUWQXMCKNRSV-UHFFFAOYSA-N 287.790 4.979 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 2333961180 ZCHZGEWMESTDDY-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(F)cc1Cl 2335203418 LMWFOMKOTUUGIY-HNNXBMFYSA-N 299.842 4.733 30 10 CJEE CC(=CC[C@@]1(C=O)CCOC1(C)C)CCCC(C)C 2338469071 CDQRTSMIQUAUNV-KRWDZBQOSA-N 266.425 4.533 30 10 CJEE C=CCC(CC=C)[C@@H](N)[C@@H](c1ccccc1)C(C)C 2338739936 AJUIRCSGUKOKJT-QZTJIDSGSA-N 257.421 4.522 30 10 CJEE C=C([C@H](CCC1=CCCCC1)NCCC)C(F)(F)F 2340299740 UPKYOJRZXNYLIL-AWEZNQCLSA-N 275.358 4.754 30 10 CJEE CCCCCCCCCC1[C@H]2CSC[C@H]1CC(N)C2 2341123527 WNEUZVOBVNTYMS-NUWOQIAWSA-N 283.525 4.844 30 10 CJEE CCCCCCCCCN(C)CCCCCCOC 2342747048 SESXQGQKDFOCEI-UHFFFAOYSA-N 271.489 4.876 30 10 CJEE CCCCCCCCCCOC[C@@](C)(CC)CNC 2343157974 LJNGQKIXFIJFHP-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE C=C1CCC(CN(C)C[C@H]2CC[C@H]2C(C)(C)C)CC1 2343322694 WSHALCYNHFNJCE-IAGOWNOFSA-N 263.469 4.737 30 10 CJEE C=CC[C@H](C)[C@H](CC(C)(C)CC(F)(F)F)NCCC 2344380057 ZAYMCUDKSLQNPP-STQMWFEESA-N 279.390 4.936 30 10 CJEE C[C@H]1CN(C[C@](C)(CS)C(C)(C)C)c2ccccc21 2352081009 MQIAWACCIOQQMR-SUMWQHHRSA-N 277.477 4.592 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 36922290 GWOURMRGPLRNJD-CYBMUJFWSA-N 282.362 4.800 30 10 CJEE Cc1ccc(C2CC(Nc3cc(Cl)ccc3C#N)C2)cc1 36954536 JQAASHCHWVFYSG-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154801 KLTIXBDIKHNAMS-MISXGVKJSA-N 265.809 4.760 30 10 CJEE CCC1(CC)CS/C(=N\c2cccc(Cl)c2C)N1 53045379 ROEIOJMBDLKWTE-UHFFFAOYSA-N 282.840 4.531 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2ccccc2C)cc1C 57686975 AKDRWXGSLDFWSE-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE CCCCCCCOC[C@@H](N)c1ccc(CCC)cc1 59083223 WVXKYIWRMDKZOV-GOSISDBHSA-N 277.452 4.626 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCCc2occc21 59090420 WJXFMAVABAJOAD-GDBMZVCRSA-N 263.425 4.996 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] 59427133 BOURHGZKYNZNJS-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE Cc1ccc(/N=C/c2ccc(Br)s2)cc1 59458911 ZYHJNDMBYHMNRI-RIYZIHGNSA-N 280.190 4.570 30 10 CJEE Cc1ccc(F)cc1-c1nc(-c2ccc(C#N)cc2)cs1 62938222 BETQQILUBLYCQV-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE Cc1ccc(C)c(Oc2cc(C#N)c3ccccc3n2)c1 68796567 IODDSMYCPNZNOH-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccccc2)c(Cl)c1 83193888 YFPOTYOCSYMYAV-DHZHZOJOSA-N 286.758 4.635 30 10 CJEE Cc1ccccc1CSCC[C@H](C)CCS 87098067 GBNGTPNPBLBKTP-GFCCVEGCSA-N 254.464 4.574 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2c(C)cc(C)cc2C)CC1 91882192 PBMOWZWNDUGSKB-CUYAVPTFSA-N 285.431 4.755 30 10 CJEE CCCCCCCCN[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101761168 KOYZQCLAHXSWMK-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCOc1ccccc1C#CCCO 104907880 NIYOQUPWHXOWPX-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE CCCCCCCCCOc1ccc(C#CCCO)cc1 104907887 QEHADCWNYYTECB-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE CCCCCCCCO[C@H](C)CCCNC(C)C 107346485 HUDJYUCLRGEKQU-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](CC)CC[C@@H]1NC 110084085 WLHUJGHSEKPHRL-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCC(=O)[C@H]1CCCc2ccccc2C1=O 110325773 NPRJBFILBFKNQE-QGZVFWFLSA-N 286.415 4.751 30 10 CJEE CCCCCCC[C@@H](O)Cc1cccc(Cl)c1 111817239 OIRLVUNICYELRZ-OAHLLOKOSA-N 254.801 4.604 30 10 CJEE CCCCCCCc1noc(N)c1-c1cc(F)cc(F)c1 113098412 INGLXVLJNICWAS-UHFFFAOYSA-N 294.345 4.715 30 10 CJEE CCCCCCCCCCN1C[C@H](C2CC2)NCC1(C)C 114072849 ATWUMLXRTUBYLT-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](CSCC(C)C)NC 115645352 DZTFISSZIZNSBG-OAHLLOKOSA-N 259.503 4.714 30 10 CJEE CCCCCCCCCNC[C@H]1Cc2ccccc21 117977267 IWMYOMLMLZLLDT-QGZVFWFLSA-N 259.437 4.667 30 10 CJEE CCCCCCCCCCCCO[C@H]1CC[C@@H](N)C1 118679185 XXWDWOUNDCRSID-SJORKVTESA-N 269.473 4.804 30 10 CJEE Cc1oc2ccccc2c1[C@@H](O)C1(C#N)CCCCCC1 124305552 NWIWIIWIKGYJKZ-QGZVFWFLSA-N 283.371 4.639 30 10 CJEE CCCCCCCCCC[C@H](NN)C1CCCCC1 125620746 HTFHWUUTWJMHQL-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCCNc1nc(Cl)ccc1N 125751520 FKLLKJWFQCPQGO-UHFFFAOYSA-N 283.847 4.870 30 10 CJEE Cc1cc(N(C)[C@@H](C)c2ccc(Cl)cc2)ccc1C#N 126891170 MRBLEYUDVLMFSR-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CCCCCCC[C@H](CCOc1cccc(C)c1)NC 139656612 HTQVYDHVQFXPFH-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCCCCCCCOc1cc(Cl)nnc1Cl 149148135 JNXINUCNXDPUQQ-UHFFFAOYSA-N 277.195 4.523 30 10 CJEE C=CCCC[C@@H]1CCCCC[C@H]1CNC(C)(C)C 155856163 BSMKVGCXVWCFPL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](NCC)c1c(F)cccc1OC 156121263 DOCNUPKJLFIECC-HNNXBMFYSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CC[C@H](C)O1 157906602 FBKIUHFVXQWHFR-YESZJQIVSA-N 269.473 4.673 30 10 CJEE C=C(Cl)CN[C@H](c1ccccc1)c1cc(C)ccc1C 161000638 QKNMRNPBAYZFKR-GOSISDBHSA-N 285.818 4.735 30 10 CJEE CC[C@H]1CCCC[C@H]1OCc1ccc(C#N)cc1Cl 162971875 AAJRIZRCLYMNBK-XJKSGUPXSA-N 277.795 4.697 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccccc1Cl 164550231 YSXDODLNGMBFAU-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cc(Cl)ccc2F)CC1 165713243 BQLFNRHPPCAAKG-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CCSc1cccc(N[C@H](C)c2ccc(C)o2)c1C#N 167579621 DQUBDPFBOZMBQO-GFCCVEGCSA-N 286.400 4.745 30 10 CJEE N#C[C@H](Sc1ccccc1Br)C1CCCC1 167879520 YIEYIEWPXUIOQZ-ZDUSSCGKSA-N 296.233 4.624 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cnccc1C 168123681 VEACWKBKLIQUQI-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCC#CCCO[C@H]1CCCCO1 207262431 BZFIDYLEKOHHQR-QGZVFWFLSA-N 266.425 4.674 30 10 CJEE O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1cccs1 210001193 RAPISYYLEPEGOY-AATRIKPKSA-N 298.194 4.863 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 211664994 ANISDYJIVQYTHA-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(OC)cc2)C1 222251572 DSLXSLDVSRXMLH-WWGRRREGSA-N 275.417 4.506 30 10 CJEE CCCCCCC[C@H](C)N(CCCN)Cc1ccccc1 230006654 OICQRHUZWZKICU-SFHVURJKSA-N 290.495 4.586 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)CC1 233928245 WTYORASXNRCULV-TZMCWYRMSA-N 276.811 4.982 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(C)c(C)c1)NC 234450169 UNCFRTYRYAAAIM-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CSC1(CNc2cc(Cl)ccc2C#N)CCCCC1 235146349 ATNFYCWMEPWRHA-UHFFFAOYSA-N 294.851 4.689 30 10 CJEE O=C(C1=CCCCCCC1)c1ncc(Cl)cc1Cl 236052811 SIXBZUBMCSGDDT-UHFFFAOYSA-N 284.186 4.852 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@]1(C)C1CC1 250800391 CHVPIYSEYJDQNA-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCOc1ccccc1C=Nc1cccc(Cl)c1C 252461937 OKMBYVKXXOVJIN-UHFFFAOYSA-N 273.763 4.798 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cncc(Cl)c1 307949698 GKSRHFNCDIKIBQ-INIZCTEOSA-N 280.843 4.912 30 10 CJEE C=CCCCCCCNc1cc(C)c(F)cc1[N+](=O)[O-] 380443067 CKBSPDUBPHKYEM-UHFFFAOYSA-N 280.343 4.591 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CSc2ccccc21 384881845 IQAYKNVDOBNIIO-IOASZLSFSA-N 257.402 4.596 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)cc(Cl)c1 384935403 DKGHBWVXAAMHAV-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 395313341 PYLCVUXLBBFHIC-BSDSXHPESA-N 281.484 4.673 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N 403884155 ZTAXJBWKZRINNB-OWCLPIDISA-N 281.484 4.538 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCC(C)(C)C2CC2)C1 406122908 JCUCDRZEBATUHL-WMLDXEAASA-N 250.426 4.988 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(SCC)cc1 464435520 FBWFTOKYWFNGKZ-ZIAGYGMSSA-N 291.460 4.578 30 10 CJEE C=CCC[C@@H](Nc1cccc([C@@H](C)OC)c1)C1CC1 537534228 WQJBWVLERBRHNN-CXAGYDPISA-N 259.393 4.551 30 10 CJEE SCC1(CN2C[C@@H]3CCCCC[C@@H]32)CCCCCC1 687975534 BKRAXNUWWZUFLS-HOTGVXAUSA-N 281.509 4.521 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)CCCC1CCC1 688691101 JGDKNLXZWUZNSP-SFHVURJKSA-N 282.516 4.576 30 10 CJEE Cc1c(Nc2ccccc2C#N)cccc1C(F)(F)F 689685660 QNAIJBFRDSERDP-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE N#Cc1ccc(CNc2ccc(C3CC3)cc2)c(Cl)c1 690149620 DTKNQGQAIQASRU-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)nc1)c1ccc(Cl)cc1 690514535 XMGHRRDBUXGMBR-MRXNPFEDSA-N 285.778 4.560 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCCC[C@H]1C(C)C 691136701 IYJUVIHQEJHISC-DLBZAZTESA-N 270.420 4.884 30 10 CJEE C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1cccc(C#N)c1 697620005 FUADSPXLZAHSHV-RHSMWYFYSA-N 270.420 4.568 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCC1CNC1 709538753 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77071726 KQNXMKRVNYNKOG-UHFFFAOYSA-N 280.032 4.630 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86899867 JQESKRFIYKPWDV-JSGCOSHPSA-N 276.811 4.982 30 10 CJEE COc1ccccc1N[C@]1(C#N)CCC[C@@H](C(C)C)CC1 86949223 IIIDRQKJTNSXAK-CRAIPNDOSA-N 286.419 4.606 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)CCOc2ccccc21 87997097 QPULXWSHJVYHSL-MAUKXSAKSA-N 271.404 4.837 30 10 CJEE Cc1ccc(Cl)cc1Oc1cccc(Cl)c1C#N 88729849 ZLVORUCAFSACBR-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCc1ccc(OCC2(CS)CC2)c(C(C)(C)C)c1 94582372 BDSZBDDARWKGGJ-UHFFFAOYSA-N 278.461 4.635 30 10 CJEE O=C(/C=C/c1ccc(N2N=N2)cc1)c1cccc2ccccc12 97729701 UPKRIGUVKBSBQZ-JLHYYAGUSA-N 299.333 4.838 30 10 CJEE CCCCCCCO[C@@H]1CCCCCC[C@H]1NCC 103978083 LHTQCNMBEAGYOA-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCC#CCCc1ccc(OCCC)c(C(C)C)c1 107597899 PXSAWQDZIHDGRN-UHFFFAOYSA-N 258.405 4.945 30 10 CJEE Cc1cccc(CC[C@H](C)Nc2ccc(C#N)c(Cl)c2)c1 109772211 QFPHMJOANQLRIU-AWEZNQCLSA-N 298.817 4.953 30 10 CJEE CCCCCCCCOc1ccc(CN)c(Cl)c1 109977254 FQDVTDPTFHGGGP-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](O)c1ccc(C)cc1 110023400 HWTMMUKCRWZFME-FUHWJXTLSA-N 278.436 4.794 30 10 CJEE CCCCCCCCCCOc1ccc(CC(=N)N)cc1 110323149 FJOIQQOVAPQRRZ-UHFFFAOYSA-N 290.451 4.685 30 10 CJEE CCCCCCCC[C@@H](Cc1ccncc1)NCCC 112897254 DLEIMQBRVAMREG-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@H]1[C@@H](C)CC 114057290 CFYFDJRIHKRWTI-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@]1(C)CC 114063697 LZUTXHIRXSAGIX-PKOBYXMFSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(OC)cc1 114871995 XZNCKCZQPJQLHL-KRWDZBQOSA-N 264.409 4.653 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCC(C)(C)[C@@H]1O 124015276 FPLMEEPKDOLBNC-FUHWJXTLSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1COc2ccccc21 124657290 MAKVAAUTRSWCEF-IAGOWNOFSA-N 275.436 4.631 30 10 CJEE CC#CCC[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 124659844 SLMXKDLLDGSRCD-KVMJBUIKSA-N 273.464 4.504 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1cscn1 129933352 XBNVPHSQLYABJG-HNNXBMFYSA-N 297.512 4.959 30 10 CJEE Cc1ccc(Sc2ccc(C#N)c(C)c2)cc1C 133529978 BSYBJKIOZJJYCP-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCCCCNC1=N[C@@H](CC)CCS1 134498626 KEFLXQQPYJOLGV-HNNXBMFYSA-N 284.513 4.988 30 10 CJEE CCCCCCC[C@H](NCCC)c1cncs1 147778277 QKOMSTWJNHQKEG-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCC[C@@H](O)[C@](C)(CC)OCC 158357873 WCLVCBKMUZBFPT-CVEARBPZSA-N 258.446 4.693 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CCCO1)NCC 158953004 YUQZGWOFJIDHLR-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCNc1cc2nc(C)sc2cc1N 159122803 XNGLMDDWSRGBKO-UHFFFAOYSA-N 291.464 4.959 30 10 CJEE C=CCCC[C@H](NCCC)c1c(F)ccc(C)c1F 167729683 KQLOPHOQIUTFAD-AWEZNQCLSA-N 267.363 4.670 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCNC[C@@H]1C 169216714 VWBZVDNZIOAYGV-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCN(CCC)[C@H](C#N)c1cccc2ccccc12 212987286 WCSUEHLBWJTXDC-GOSISDBHSA-N 266.388 4.526 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCCOC)C1 224798422 GGPQBKIOMJGIGB-KFWWJZLASA-N 283.481 4.501 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227069323 FIIXDDQOBQFOHH-ISTRZQFTSA-N 291.460 4.799 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cccc(Cl)c1 227611424 GSBMTYWWHYFSIC-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 229047070 GENKBVIAGCNORR-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](Cc1ccoc1)NCCC 229205630 OJMOZXQZHZUYSF-MRXNPFEDSA-N 251.414 4.551 30 10 CJEE CC(C)(C#N)CCCCSc1cc(Cl)ccc1N 232523869 DPKJLNZOIBEMGV-UHFFFAOYSA-N 282.840 4.734 30 10 CJEE CC(C)(C#N)CCCCSc1ccc(N)cc1Cl 232524375 GZZAETFUCUQNED-UHFFFAOYSA-N 282.840 4.734 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCS[C@H]1C 232959515 OPSBGSCYOVGPCL-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1Cc2ccccc2S1 233542400 GZEBKJIMHCCNLT-FUHWJXTLSA-N 289.488 4.818 30 10 CJEE COc1ccc(Cl)cc1C(=O)C1=CCCCCCC1 234862584 KSONFESDIYAJIW-UHFFFAOYSA-N 278.779 4.812 30 10 CJEE Cc1cc(C)c([C@@H](O)C2(C#N)CCCCCC2)cc1C 235838405 MIVKFGNTIMLMLN-QGZVFWFLSA-N 271.404 4.509 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(F)c(Cl)c1 236229123 RXLXXYGQGRTKQM-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1cc(Cl)ccc1Cl 251121447 WJMRZUPIHBOLPK-KKFJDGPESA-N 259.176 4.664 30 10 CJEE N#CC[C@H](c1ccc(F)c(-c2ccccc2)c1)C1CC1 260300164 PWEILQSGAGOQJR-INIZCTEOSA-N 265.331 4.900 30 10 CJEE CC(C)(C)C[C@H](C#N)COc1ccc(C(F)(F)F)cc1 260594511 UIBQNRNECPOQGG-LLVKDONJSA-N 285.309 4.660 30 10 CJEE N#CC1(c2cccc3[nH]c(C(F)(F)F)cc23)CCCC1 260671520 WCPDKKSAMSJDHH-UHFFFAOYSA-N 278.277 4.522 30 10 CJEE CCCCCCCCCC(=O)c1ccnn1C(C)C 302376070 PCBNTFYYKRWOQK-UHFFFAOYSA-N 264.413 4.787 30 10 CJEE CC(=O)/C(C)=C\c1ccc(-c2ccc(Cl)cc2)o1 310603831 QZTBJQXLDBFCGW-KTKRTIGZSA-N 260.720 4.592 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cccc(Cl)c2Cl)O1 310910858 QSUUVMLNSOXSTI-UONOGXRCSA-N 284.186 4.691 30 10 CJEE CC1CCC(CC2(C#N)Cc3ccccc3C2)CC1 311935524 IVBQPTYSDCWMRW-UHFFFAOYSA-N 253.389 4.512 30 10 CJEE CC(C)(C)C1CCC([C@H]2CCC[C@H](CC#N)O2)CC1 312036760 UBMQGRGPBHJAPE-QDIHITRGSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@@](C)(CNCC(C)C)O1 312676744 MOGMLWPZZQEXEZ-ROUUACIJSA-N 283.500 4.920 30 10 CJEE O=CC1(CCCOc2ccccc2)CCCCCCC1 316712192 KHFBJGXNNFILJG-UHFFFAOYSA-N 274.404 4.775 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317317877 ORDTXLWWITYCJS-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCCC[C@H]1C 318657731 BRYXLDNEKRJWLG-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCc1ccccc1OCc1cc(F)cc2cccnc12 355737752 ZBHAEKZDPPYKEK-UHFFFAOYSA-N 293.341 4.681 30 10 CJEE CCCCCCC[C@H](NC)c1coc(Br)c1 382407928 SOWFECGBHOXYCU-LBPRGKRZSA-N 288.229 4.663 30 10 CJEE C=C(COC(C)C)[C@H](NCC)c1cc2ccccc2s1 387457022 ABOXZTVVMYFAOY-KRWDZBQOSA-N 289.444 4.533 30 10 CJEE CCCCCCCOCc1nc(CNC(C)(C)C)cs1 393169226 BPHQRXDDHVKUSX-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE C=CC[C@H](CC)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 393794345 HDOBDZNCVGSGSR-PMPSAXMXSA-N 251.458 4.926 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CCCCC2(F)F)C1 394318834 HPLQLGNIVMPFKE-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE N#CCc1cc(Cl)c2cc(C(F)F)sc2c1 396193026 RYOZUKULYZEKBM-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 398099324 GWZHFJRGMZNNAN-MWDXBVQZSA-N 251.458 4.782 30 10 CJEE CCCCCCCC[C@H](NN)c1c(F)cc(C)cc1F 398679697 MLDNUMZSIWETPG-HNNXBMFYSA-N 284.394 4.528 30 10 CJEE CCCCCCCCCC[C@]1(F)CC[C@@H](C)NC1 399014678 COTRAYUNKRCRJI-CVEARBPZSA-N 257.437 4.997 30 10 CJEE CC[C@H](OCCCCC(C)(C)C#N)c1ccccc1 403207857 PDDQJKSFNDMVLV-INIZCTEOSA-N 259.393 4.874 30 10 CJEE C[C@@](C#N)(CCc1ccc(Cl)cc1)c1ccccc1 405731702 HFGVVMYRGZNPAN-KRWDZBQOSA-N 269.775 4.754 30 10 CJEE C#CCCCCC[C@]1(CNC(C)C)CC[C@@H](CC)C1 686701228 OJXNMGRYKODPHT-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@H](NCC)C(C)(C)C(F)(F)F 690261535 VXDSZWQSBQMIIF-GFCCVEGCSA-N 267.379 4.914 30 10 CJEE O=C(C=C1CCCCC1)c1ccc2sccc2c1 691799253 DUPLOAWETKGCFK-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CCSc1cccc(NC[C@@H](C)C2CCC2)c1C#N 692847617 KPOVKCNCXUOKGG-GFCCVEGCSA-N 274.433 4.518 30 10 CJEE C[C@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@H](C)C1CC1 695781259 NULUPKKOUFVUQY-HZPDHXFCSA-N 284.447 4.615 30 10 CJEE CC[C@@H](C)c1ccc(O[C@@H](C)CC(C)(C)C#N)cc1 695810447 DRDZHCYRIKHOGF-KGLIPLIRSA-N 259.393 4.907 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1CC(C)(C)C1 701476307 SFRBMHIODPDNTN-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CCCCN(c2cc(Cl)c(Cl)cc2N)C1 703622571 MKVMVLAHMWNBMK-LLVKDONJSA-N 299.245 4.758 30 10 CJEE C=CC[C@@H]1CCCCN(c2ccc([C@@H](C)O)cc2Cl)C1 703690485 OIJHZOZWOKLLHT-ZIAGYGMSSA-N 293.838 4.576 30 10 CJEE CCCCCCCC[C@@H](CC1CC(OC)C1)NCC 704178464 IHJPVQHVHQQNIQ-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE CC1(C)C[C@H](S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CO1 705494226 KEEXXGPVQUEYAP-APIJFGDWSA-N 295.492 4.642 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)c1ccncc1 714343071 LVQDWHSYDMEWCW-KRWDZBQOSA-N 277.452 4.861 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC(C)(C)[C@@H]1N 719301264 QHSONWUBBXOGEB-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE C=C1CCC(COc2c(F)cccc2Br)CC1 724573276 KAJFAYQWTJDJDB-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@@H]3C[C@@H]3C2)CC1 724602414 KPEQRSHODPGRCG-MLHJIOFPSA-N 261.453 4.537 30 10 CJEE CC/C(=N\OCc1ccccc1Cl)c1ccc(F)cc1 821219211 ISCPMKMCKSFHJO-KNTRCKAVSA-N 291.753 4.810 30 10 CJEE C=CCCC[C@H](C(=O)N(CCC)CC1CC1)c1ccccc1 1124786420 SFMFODSMAAVZJF-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C#CCCCCCC(=O)O[C@H](CC)c1ccc(C)cc1 1127849331 ZWFXMUFWUFACRG-QGZVFWFLSA-N 272.388 4.573 30 10 CJEE C=CCC(C)(C)C(=O)N(C)Cc1oc2c(C)cccc2c1C 1130533420 UZISXNNOQYSETF-UHFFFAOYSA-N 299.414 4.610 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 1148070496 ZCVTWTWERQTHEQ-QRQLOZEOSA-N 299.458 4.774 30 10 CJEE C=C(C)COc1cccc(NC(=O)C23CCC(CC2)CC3)c1 1264936288 KBZYKYDNJZNRKV-UHFFFAOYSA-N 299.414 4.550 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCC[C@@H]2CCC)CCCCC1 1272726074 PYLACFBWZKJVOR-JKSUJKDBSA-N 277.452 4.598 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](CC)Cc1ccc(F)cc1 1308859852 OJYRJNSHXYUNDF-YJBOKZPZSA-N 277.427 4.871 30 10 CJEE C=CCC[C@H](CCC)NCC(F)(F)c1ccc(F)cc1 1308880164 IBRYHAHMKONAPB-HNNXBMFYSA-N 285.353 4.642 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H](C(C)C)C1 1312802226 INDDFXPVPFCKBO-QGZVFWFLSA-N 294.483 4.591 30 10 CJEE C=CC(C)(C)CC(=O)NC1CCC(C(C)(C)CC)CC1 1349786137 RHSBKWJOGBVGOB-UHFFFAOYSA-N 279.468 4.700 30 10 CJEE C=CCN(C(=O)[C@H](CCC)c1cccc(Cl)c1)C(C)C 1349927673 ZLLNKFVSCBSCNU-MRXNPFEDSA-N 293.838 4.647 30 10 CJEE CCCCCCCCC(=O)Nc1cccc2cccnc12 1352287203 ABFCNAOKBSPBQS-UHFFFAOYSA-N 284.403 4.924 30 10 CJEE C#Cc1cccc(N(C)C(=O)[C@H](CC)CCCCCC)c1 1352790442 JYBGCMMUIXZTLO-QGZVFWFLSA-N 285.431 4.627 30 10 CJEE C=CC1(CC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)CCCCC1 1456772196 SCWFIFBGOOBVCD-IKGGRYGDSA-N 289.463 4.693 30 10 CJEE C=CCCCCN1c2ccccc2S[C@H](C)[C@H]1C 1459705453 RAAOFZYUXJKGBD-ZIAGYGMSSA-N 261.434 4.732 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1CCCC1(F)F 1462246018 GKADSUVRHAUFMR-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCCC[C@@H](NC(=O)C[C@@H](C)CC)c1ccccc1 1462500044 ANICCCTYFLUOBB-DOTOQJQBSA-N 273.420 4.636 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 1526071486 DCEFBISFIMLXMY-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=CCCCCNCc1ccc(-c2ccccc2)cc1OC 1560449490 SVAIDLZXJFUYRO-UHFFFAOYSA-N 295.426 4.808 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 1562051443 FCGNJWXGWFYRTI-HNNXBMFYSA-N 286.419 4.630 30 10 CJEE Fc1ccc(C#Cc2cccc(C(F)(F)F)c2)c(Cl)c1 1614826955 HZYABPYBNWXGAE-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2Cl)c1 1616752493 WBMGULWSKWWMQG-UHFFFAOYSA-N 271.747 4.625 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(-c2ccoc2)c1 1618322881 AARFLGPHBOCQFD-SFHVURJKSA-N 295.382 4.517 30 10 CJEE C=C(CC)C(=O)Nc1cc(Cl)ccc1SC(C)C 1628710355 AEFJGMSILOFHLW-UHFFFAOYSA-N 283.824 4.745 30 10 CJEE C=CCC[C@H](NC(=O)c1cccn1C(C)C)c1ccccc1 1636820524 IHXPQOCKXKYFMK-KRWDZBQOSA-N 296.414 4.506 30 10 CJEE C=CC[C@@H](CC)Nc1ccnc(-c2cccc(Cl)c2)n1 1642680755 NCYBTWVVGKYBOZ-CQSZACIVSA-N 287.794 4.564 30 10 CJEE C=CCCCCCN1CCC(OCC2CCCCC2)CC1 1644614499 QNDKCKOFIKOCLE-UHFFFAOYSA-N 293.495 4.794 30 10 CJEE C=C(CC)CN(C)[C@H](C)Cc1ccccc1C(F)(F)F 1645549675 LEJFHWCLCBZZGW-CYBMUJFWSA-N 285.353 4.534 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cc(Cl)cnc2OC(C)C)C1 1652463257 VPJUZUYRBKAWJF-GXTWGEPZSA-N 294.826 4.679 30 10 CJEE C#C[C@H](N[C@@H](C)CCCC(C)C)c1ccc(Cl)cc1 1652580931 XVCIKXIGTCMVHE-YOEHRIQHSA-N 277.839 4.819 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 1653225057 VWGLVLVQCRXEAV-UONOGXRCSA-N 283.802 4.925 30 10 CJEE C=CC[C@H](NCc1cc(C(C)(C)C)oc1C)c1ccncc1 1656516927 XOTHCKBVLPFFEW-KRWDZBQOSA-N 298.430 4.688 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccccc1C1CC1 1657524886 SQWOMUYYYJCWSY-HXUWFJFHSA-N 291.438 4.841 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(OCCCC)c(Cl)c1 1657785747 KNDHTIQIWOFXLI-CQSZACIVSA-N 295.854 4.963 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1C(C)=CCC[C@@H]1C 1659079124 RNZAXQJLZKPUBY-WMZOPIPTSA-N 287.422 4.806 30 10 CJEE C=CCC[C@@H](CCC)NCc1coc(-c2ccc(C)cc2)n1 1660677693 IDSJUAFXTHLAGU-QGZVFWFLSA-N 298.430 4.875 30 10 CJEE C=CCN(CC=C)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1664784188 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CC[C@H]1CC[C@@](C#N)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2312205113 KVZUKIXWAXTRTK-RVMXOQNASA-N 259.315 4.685 30 10 CJEE CCC[C@@H](CS)COC[C@@H]1C[C@H]2CCC[C@H]1CC2 2316870884 VMCCTDXSLFMFON-FZKCQIBNSA-N 270.482 4.566 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2319568225 SKJVYTDZRRWLAA-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE CCC(CC)(CS)COC[C@H]1CC[C@H]1C(C)(C)C 2320142291 CGDZEAYDPZESBI-ZIAGYGMSSA-N 272.498 4.812 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(C=O)CCCC1(C)C 2320286623 MXPVOFIGMGCLNZ-VBQJREDUSA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC[C@@H]1C)NCC 2321099255 QCPFYLKRPDTLID-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NCC(C)(C)C#N)c1Cl 2327872904 MCHGBJNFHQIATA-SNVBAGLBSA-N 285.218 4.502 30 10 CJEE CCCc1ccc(OC[C@@H](CS)CC(C)C)cc1 2328518447 GITGDRYBZOUYDZ-HNNXBMFYSA-N 266.450 4.610 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1CCC[C@@H]2C[C@H]12 2333326938 HNISZDRPQZJPOD-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)NC[C@@H]1CC[C@H]2CCCC[C@H]2C1 2335098414 JTNWZHYNBOEDQJ-ZACQAIPSSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC[C@H](NCCC)[C@H]1CC 2335099093 RMLVAEIQHDPZLC-IXDOHACOSA-N 281.509 4.797 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@H](C)CC)c(C)c1 2335228997 GBZBCDOPUJQTEF-CABCVRRESA-N 277.477 4.940 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@H]2C[C@H]21 2341991425 QFPPMEULVOBIQN-RRFJBIMHSA-N 273.445 4.955 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1[C@H]2CCCCC[C@H]12)NC 2344341925 GBVVZUACFHYUJI-LAQRGFTBSA-N 263.469 4.783 30 10 CJEE C=CCC[C@H](C)[C@H](N)C1CCC(CC(F)(F)F)CC1 2353643439 RMEMQZFPYMUHHU-ABXWRUBCSA-N 277.374 4.675 30 10 CJEE CSc1cc(NC2C[C@H](C)C[C@@H](C)C2)ccc1C#N 2353825219 IEBXVLOBZUCVOD-VXGBXAGGSA-N 274.433 4.517 30 10 CJEE C#CCCC[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354883120 QQCICZXCZFDNCH-VJANTYMQSA-N 275.480 4.765 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1cc2ccccc2o1 2360203549 ZVYKRVGLZNCFOY-HNNXBMFYSA-N 287.428 4.687 30 10 CJEE CC1CCC(CSCCC[C@@](C)(C#N)NC(C)C)CC1 2360509661 YQZRZABHUUJUDL-JCYILVPMSA-N 296.524 4.606 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1cccc2ccccc12 21519188 QTMRCIZJPOAPPX-AWEZNQCLSA-N 272.351 4.885 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1cc(Cl)ccc1C#N 36954401 DHCJWVIOODHPPG-FZMZJTMJSA-N 264.800 4.838 30 10 CJEE Cc1ccc([C@@H](C)Nc2cccc(Cl)c2C#N)cc1 48346292 NIDKYSAKTBMRAL-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCc1ccc(OC)c(C[C@H](C#N)c2ccc(Cl)cc2)c1 57761573 YGRXLFSWGRQENS-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCCCCCNc1cccc(OC(F)(F)F)c1 59089209 FBZJGSPDMANMGO-UHFFFAOYSA-N 275.314 4.968 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H](OCC)C1(C)C 85385439 FXERLMYYVBDEOE-HZPDHXFCSA-N 291.460 4.580 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@H](C(C)C)CC1 86949199 XXNKBSSXUAGKKX-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1c(C)cc(C#N)cc1C 88154574 ZAHGWKFFHRNCGS-HOTGVXAUSA-N 257.377 4.523 30 10 CJEE CCCN[C@@H](CCC)c1ccn(CCCC(C)(C)C#N)c1 91823893 KMBNIGXSGBLKTQ-KRWDZBQOSA-N 289.467 4.659 30 10 CJEE CC1(C)CCC[C@](O)(C2(C#N)CCCCCC2)CC1 91903380 CFSHEOFLOWQFDN-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE SCCCCCCOc1ccc2ccccc2c1 94583116 QOOXUXDFISYJQQ-UHFFFAOYSA-N 260.402 4.709 30 10 CJEE CCC1CCC(C#N)(Cc2cc(F)cc(F)c2)CC1 97920659 DVWGGTRGDBFFCF-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE Cc1ccc(C)c(N/C=C\C(=O)c2cc(C)ccc2C)c1 103030903 XJOPLPADVNOHMV-KTKRTIGZSA-N 279.383 4.729 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(F)cc1 103932147 DYSUHCFJGMQVQE-INIZCTEOSA-N 251.389 4.750 30 10 CJEE CCCCCCC[C@H](N)c1nc(C(C)(C)C)cs1 104438352 ILKJMVSQLCMQFF-LBPRGKRZSA-N 268.470 4.801 30 10 CJEE C=C[C@@H](C)Cc1cc(OCCC)c(OCCC)cc1F 107489419 YFGQBZIUKSNEPS-CYBMUJFWSA-N 280.383 4.768 30 10 CJEE C[C@H](c1ccccc1F)N(C)c1cc(Cl)ccc1C#N 110258603 MYYGMHQOCISMTF-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCCCCCCCN(CC)CCC(=N)N 110322440 ZYYUKGBRSNZWCO-UHFFFAOYSA-N 283.504 4.555 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(C)c(C)c1 112887672 MNEBDQNBAKLINK-SFHVURJKSA-N 262.437 4.957 30 10 CJEE CCCCCCC[C@H](NN)c1csc2ccccc12 122302516 VOIDUFPWWJUIFO-HNNXBMFYSA-N 276.449 4.766 30 10 CJEE CCCCCCCCCC(=O)CCc1ccc(N)cc1 124591555 QXOZMZXLRYRXAD-UHFFFAOYSA-N 275.436 4.911 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(F)c(F)c1 125445685 SIYPFALZSKWNQL-MRXNPFEDSA-N 284.394 4.610 30 10 CJEE CCCCCCCOc1c(Cl)cccc1C[C@H](C)N 128956372 PKBSJOKUSAYRMG-ZDUSSCGKSA-N 283.843 4.579 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)ccc1Br 132029870 VZRQUMSGUVWNBC-SECBINFHSA-N 288.616 4.869 30 10 CJEE CCCCCCCCNc1cccc(NCCC)n1 132215856 SJRBMGXJGVMGMH-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](CCC)OC 158219211 RRQUJYFODWWWFS-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](CCC)OC 159793258 AWJMSVOKPSAPRN-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(CC)s1 161172970 CQJYWYDLWDVBMV-ZDUSSCGKSA-N 253.455 4.541 30 10 CJEE C=CCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 161714156 FIVMVQWAGAYUHV-UHFFFAOYSA-N 289.463 4.653 30 10 CJEE CCCCCCCCCCN1CCc2ccccc2C1=O 164301491 GYISOKWGHNBQEB-UHFFFAOYSA-N 287.447 4.826 30 10 CJEE C=C(C)CC[C@@H](Cc1cc(C)cc(C)c1)NCCC 164557333 YVYDNNYBIPZBBN-SFHVURJKSA-N 259.437 4.570 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccccc2F)s1 166125829 MUZQAMUJVYPEKJ-ZDUSSCGKSA-N 288.391 4.861 30 10 CJEE CCC(CC)(CS)COc1cccc(Cl)c1F 167436452 YWRIAQYPQMBHCE-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCCCCCC[C@H](O)c1c(F)c(F)c(F)c(F)c1F 168204773 BFCOPIOJMMAJSZ-QMMMGPOBSA-N 296.279 4.776 30 10 CJEE CCCCCCCC(=O)[C@H]1CCOC2(CCSCC2)C1 169251433 LOXJXZMPKGTFQW-HNNXBMFYSA-N 298.492 4.608 30 10 CJEE CC(C)(C#N)CCCN[C@H](c1ccc(Cl)cc1)C1CC1 174815975 ZTITVXSWJMFZRP-INIZCTEOSA-N 290.838 4.711 30 10 CJEE CCCCCCCCCCCC[C@@]1(C(=O)O)CCCN1 215720910 YTMYJITZCPAOSD-KRWDZBQOSA-N 283.456 4.504 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cn(C)nc1C 227454002 MHXACQOZMUCOKF-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC(C)(C)C[C@H]2C)CC1 232903368 VDGSQRWKHZZWHM-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)c(F)c2)C1 235321119 URJCZZASDBYQKR-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=CCCCCCOc1ccc(C)cc1Br 235782317 RHDIFYOZJKVUGF-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 252820570 OPFSKBWGRVPNGR-QEJZJMRPSA-N 280.396 4.585 30 10 CJEE C(=NN=C(c1ccccc1)c1ccccc1)c1ccsc1 254626108 DOAOFJDPQWHLQW-UHFFFAOYSA-N 290.391 4.620 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@H]1CC 300608812 PBLSJGKVEHAACH-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](O)C(C1CC1)C1CC1 310632786 OOOCTSZVZFUZLD-INIZCTEOSA-N 252.442 4.924 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)c2ccccc21 312613436 VLMSAMHCFNEVGH-GTNSWQLSSA-N 282.774 4.872 30 10 CJEE O=CC1(Cc2cccc3ccccc23)CCCCCC1 316986471 LKBVQEKEKUSFBU-UHFFFAOYSA-N 266.384 4.922 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 317175361 PBHBDDLSJIQJQG-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CC1(C)CCC(C=O)(Cc2cccc(Cl)c2F)CC1 317261605 QJFJTQUDJAZMOL-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(F)c(F)c2)CC1 317424134 GHFKKQMEDAZGFH-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1Cl)C1CCC1 322414660 XBMHJHWUAXXAHU-CQSZACIVSA-N 262.784 4.592 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cscc1Br 380023608 XPXPOCBKGHBMOT-UWVGGRQHSA-N 288.254 4.516 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@H]1CSc2ccccc21 384881843 IQAYKNVDOBNIIO-DVOMOZLQSA-N 257.402 4.596 30 10 CJEE CCCCCCC[C@@H]1CCC[C@@H]1[C@H]1CCCCN1 386065687 YKMFADKEAWSQBG-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C#C[C@H](NCC1(CC(C)C)CCCC1)c1ccccc1 394442146 KXZMAKFXYCFTTG-SFHVURJKSA-N 269.432 4.557 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(Br)cc1C 398095972 ACMJKQBLQXLQDT-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(OC)ns1 399192716 WTNUQDNKYCHGCK-ZDUSSCGKSA-N 285.453 4.716 30 10 CJEE C[C@](C=O)(Cc1ccc(Cl)c(Cl)c1)c1ccccc1 405637962 YHLFILKCQSPOFP-MRXNPFEDSA-N 293.193 4.693 30 10 CJEE CCc1c(C(F)F)cc(OC(F)F)cc1C(F)(F)F 575653604 HSVDGBCHMUEGQK-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(C)CCOC1 687393459 PMRWSDDUKJZBDU-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCSc1cccc(N=C2N[C@@](C)(CC)CCS2)c1 690176537 WNYWGOGCKDAZME-HNNXBMFYSA-N 294.489 4.681 30 10 CJEE CCSc1cccc(N(C)[C@H](C)CCC2CC2)c1C#N 691370554 FPIQSILTTAQYSQ-CYBMUJFWSA-N 288.460 4.685 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 692240072 NDSRWYYMRJMMJI-AAEUAGOBSA-N 269.841 4.626 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1CCC 692241328 HVMWRSKPQLQDAU-JSGCOSHPSA-N 293.842 4.629 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OC1(C=O)CCCCC1 692267368 IGKYYXZWPPMMOP-UHFFFAOYSA-N 274.404 4.573 30 10 CJEE C=C1C[C@H]2CC(NCC3CCCCCC3)C[C@@H](C1)C2 697311349 OMSISKZEWJXZSQ-JWTNVVGKSA-N 261.453 4.681 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C(C)C 698357658 GKGLKEFKAVGJBO-PBHICJAKSA-N 296.455 4.740 30 10 CJEE C=CC(C)(C)CCN[C@@H]1c2ccccc2CCC1(C)C 701895371 DYXIPSMRKGQLAG-QGZVFWFLSA-N 271.448 4.892 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(Br)cc1 701917888 CZQFAWLUCFJBAG-GFCCVEGCSA-N 296.252 4.702 30 10 CJEE CCCCCCCN[C@@H](c1cccs1)C1CC1 703747690 HFRQJVJIRLHKPC-OAHLLOKOSA-N 251.439 4.759 30 10 CJEE Cc1nc(CC2(C#N)CCCCCCC2)c(C)s1 707896305 UCQATZSDQMYCME-UHFFFAOYSA-N 262.422 4.557 30 10 CJEE C=CCCSCCN[C@H](C)c1cc2ccccc2s1 710141945 SCAJXDYAIAXPIV-CYBMUJFWSA-N 291.485 4.861 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1(c2ccccc2)CCC1 715745627 BNNQTVXRAKBJLO-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE C=CC[C@H](C)[C@H](NCC(C)C)[C@@H](C)c1ccccc1 715786523 GYUOXXFZHITODW-BQFCYCMXSA-N 259.437 4.617 30 10 CJEE C=CC[C@H](C)[C@H](CSc1cccc(Cl)c1)NCC 715801607 YTIFFNMFATZYRF-WFASDCNBSA-N 283.868 4.622 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CC(C)(C)CO1 717369736 CJWNLQZUCYXAAP-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(CC)cc1 821218536 WZBIJZWPKOCQQE-FMQUCBEESA-N 281.399 4.888 30 10 CJEE Cc1ccc(N=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 1084436904 KUPVKEVHGSHFSN-UHFFFAOYSA-N 282.343 4.777 30 10 CJEE C=CCN(C(=O)c1sc2cc(C)c(C)cc2c1C)C1CC1 1127601894 HAZFWDFCKIGNAP-UHFFFAOYSA-N 299.439 4.617 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H]1CCC[C@@H]1c1ccc(C)cc1 1128322295 WHZYJUNTAZHRBM-NXHRZFHOSA-N 286.415 4.777 30 10 CJEE C#CCCOc1ccc(CN[C@@H](CC)C2CCCCC2)cc1 1177586954 PXTXVQDSHKIECJ-FQEVSTJZSA-N 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C#CCCCC[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)C1 2279726688 QSQDPFSMASVXGQ-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=CCCCCCC[C@H](N)c1ccncc1C(F)(F)F 2280241035 NYPBMZGYLUHSPC-AWEZNQCLSA-N 286.341 4.627 30 10 CJEE C=CCCCCOc1ccc(CNC(C)(C)C)c(C)c1 2282939532 FJHOJIFWHYNTES-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(CC=CC#CC(C)(C)C)C1 2284077094 PFRJABWNDHLALU-IEBWSBKVSA-N 276.464 4.950 30 10 CJEE CC(C)(C)C#CC=CCC1(CNC(C)(C)C)CC=CC1 2284084162 OHOFNMBUNAZIRH-UHFFFAOYSA-N 273.464 4.707 30 10 CJEE CC(C)CCC[C@H](C)CCNc1cc(C#N)cc(Cl)n1 2287966638 COFZEIIBEZEFDB-ZDUSSCGKSA-N 293.842 4.871 30 10 CJEE C#CC1(NCC[C@@H]2CCC[C@@H](C)C2)CC2(CCCC2)C1 2288205553 AQZNMCZNUDEMKE-SJORKVTESA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1ccc(Cl)cc1 2289715606 CFFLYUXREQCSGF-GOSISDBHSA-N 289.850 4.964 30 10 CJEE C[C@](O)(CC#CC1CCCC1)c1cc2ccccc2s1 2289923558 ASGVQPFCHCPWGD-SFHVURJKSA-N 284.424 4.693 30 10 CJEE C=CC[C@H](C)O[C@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2290219832 MDFOHVUCYGREFV-XHSDSOJGSA-N 281.484 4.551 30 10 CJEE C=CCCC[C@@](CC)(OCCC(=O)O)C1CCCCC1 2292041887 XDAYQDOAGDEZST-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@]1(OCCC(=O)O)CCC[C@H](C)C1 2292701312 KMSMKJOTLNENCG-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@](C)(CC1CC(C)C1)OCCN 2293040658 IHUSWGKMHFQZHW-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCCC12CCCC2 2293882453 SLJQVJMBHFUABD-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1CCC[C@@H]1F 2293909569 KWEOYHCBUZSZLI-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=CCCCCCCCC[C@H](CC1CC1)OCCCN 2294020619 HWZGCDNAIOPRGI-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C([C@H](CCC1CCCCC1)OCCCN)C(C)(C)C 2294254048 BMUFLFUGYYGDGE-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1C[C@@H]2CC[C@@H]2C1 2294593795 DSNNRSBAWVFEFI-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE CC(C)(C)[C@H](C#N)CSC[C@H]1CC[C@H](C)CC1 2299031233 VIFNIKZRIULSMA-MGPQQGTHSA-N 253.455 4.732 30 10 CJEE C=C(Cl)C[C@H](NCC)c1c(F)ccc(C)c1Cl 2299147693 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C[C@H]1CCC[C@H](Sc2cc(C(C)(C)C#N)ccn2)C1 2338339786 REOSBSNFOXWYKB-JSGCOSHPSA-N 274.433 4.554 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2)[Si](C)(C)C 2338686299 KVQZMRUXUDJINE-MWDXBVQZSA-N 279.544 4.615 30 10 CJEE C=CCC(CC=C)[C@]1(CNC2CC2)CCCC1(C)C 2338742730 YDFLBUCYEWUOSS-GOSISDBHSA-N 261.453 4.703 30 10 CJEE C=CCCCCCCNC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339232101 MILYUHOFWOSCNK-KURKYZTESA-N 261.453 4.705 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(COC)s1 2342279033 VHIVJBXVDFVWFE-OAHLLOKOSA-N 282.449 4.845 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@@H]1CC[C@H]1C1CC1)NCCC 2342281825 UCAVBQBZGYDRSA-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE O=C1C=C(c2ccc(Cl)cc2C(F)(F)F)CCCC1 2342312270 WJCDMNZDZNKVJB-UHFFFAOYSA-N 288.696 4.885 30 10 CJEE C=C(Cl)C[C@H](NC)[C@H](c1ccccc1)C1CCCC1 2342371190 SUNHYUOZKXRZRX-DLBZAZTESA-N 277.839 4.691 30 10 CJEE C=CC[C@@](C)(N)C[C@H](c1ccccc1)C1CCCC1 2342471922 SHGBDYUHVBHTJH-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE COC(C)(C)C1(C[C@]2(C#N)CCCCC2(C)C)CC1 2343718167 AQBPXCGYFDCARL-KRWDZBQOSA-N 263.425 4.692 30 10 CJEE CCCC1CCC(C=O)([C@@H](CC2CC2)C2CC2)CC1 2343965648 CQCYBVQTHRYCRL-GMXGEUMGSA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(C2CCC2)c1 2344337199 OSMUJLKRDWONDE-ROUUACIJSA-N 257.421 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(C)c1)NCC 2344342393 JWNPTXGTHJTNOS-MSOLQXFVSA-N 259.437 4.508 30 10 CJEE C=CC[C@@H](C)[C@@H](CC#CC1CCCCC1)NCCC 2344349325 RUEQAKDYPNBXQO-SJLPKXTDSA-N 261.453 4.541 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(CSC)c1 2344381785 VYOSPLCKQIVETH-MRXNPFEDSA-N 277.477 4.803 30 10 CJEE Cc1cc(C)c(OCC2(CS)CC(C)(C)C2)c(C)c1 2344977600 OBSYRKLIOKMFMG-UHFFFAOYSA-N 278.461 4.727 30 10 CJEE C=CC[C@H](CC)NCC1CCC(CC(F)(F)F)CC1 2353131433 LTNSFNNFKAHUER-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCCC1CCC(C#N)([C@H](C)C[C@H]2CCOC2)CC1 2353288396 URJOKQAGSRURFC-KZYLPZIUSA-N 263.425 4.549 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NC 2355019495 HFRYWVLTMMXNFT-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCC[C@H](CO)C1 2358948147 POSBYXWIOATYDR-KURKYZTESA-N 283.500 4.514 30 10 CJEE C#Cc1ccc2c(ccn2C(CC2CC2)CC2CC2)c1 2360350121 NROBLBFHKOLDRC-UHFFFAOYSA-N 263.384 4.764 30 10 CJEE CCCCCCCCCCN1CC[C@]2(CO[C@H](C)C2)C1 2360618817 DVVKHMNJFZXMMJ-QZTJIDSGSA-N 281.484 4.628 30 10 CJEE CCSC1=N/C(=C/c2cccc3ccccc23)C(=O)S1 458017 VGMPQAUYEMMNRY-GXDHUFHOSA-N 299.420 4.563 30 10 CJEE O=C(/C=C\S/C=C/C(=O)c1ccccc1)c1ccccc1 12367661 NSBJBEHHGKXENY-HEEUSZRZSA-N 294.375 4.513 30 10 CJEE CC(C)Oc1cccc([C@H](C#N)NCCC2=CCCCC2)c1 20176791 VQKMYVCMZJEACS-IBGZPJMESA-N 298.430 4.519 30 10 CJEE CCc1ccc(Oc2ncccc2C#N)c(C(C)(C)C)c1 21518776 QZIMZKRYNYIEEK-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147106 UENLLCPQYIZXNB-BRWVUGGUSA-N 278.484 4.851 30 10 CJEE CCSc1ccccc1N[C@@H](C)c1cccc(C#N)c1 37779321 PIGDXEXTDQYQHN-ZDUSSCGKSA-N 282.412 4.843 30 10 CJEE C[C@@](C#N)(CCc1ccccc1)Nc1ccc(Cl)cc1 37936100 ZOYUKMIPNUUMKR-KRWDZBQOSA-N 284.790 4.667 30 10 CJEE CCOc1ccccc1OCCC[C@H](C#N)c1ccccc1 57684530 DREIDIVDRIZGTH-QGZVFWFLSA-N 295.382 4.552 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2)c(C)c1 57684643 BXNXALLCRDAVAV-GOSISDBHSA-N 279.383 4.688 30 10 CJEE CCCCCCCCCNCCCN1CCCC[C@@H]1C 59088870 XRSGVBPCQDRRST-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OCCOC)cc1 59469109 IDCXISRETUTAQE-MRXNPFEDSA-N 293.451 4.873 30 10 CJEE C[C@H](C#N)Cc1ccc2c(Cl)c(Cl)cc(Cl)c2n1 62712668 MDOBXJIZGRRRFM-ZETCQYMHSA-N 299.588 4.897 30 10 CJEE Cc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1F 62938223 JBDDVQHBBODAOY-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE CC[C@H]1CC[C@](C#N)(CCCOc2ccccc2)C1 87996650 DKQBMFNHENPUDX-DOTOQJQBSA-N 257.377 4.566 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@H]1CCSC1CCCCC1 93580922 SGACXSXBQMPJIA-DOTOQJQBSA-N 294.508 4.504 30 10 CJEE CCC[C@H](CS)CN(C)[C@@H](C)c1ccccc1Cl 94579684 XFNUPXHMFCSHTP-STQMWFEESA-N 285.884 4.679 30 10 CJEE CCc1cc(OC[C@H](CS)C(C)(C)C)ccc1Cl 94584434 NWUVRKRFKRVYDZ-GFCCVEGCSA-N 286.868 4.873 30 10 CJEE Cc1cscc1-c1nc(-c2ccc(C#N)cc2)cs1 94864875 VDFLPPNQJDPMSG-UHFFFAOYSA-N 282.393 4.719 30 10 CJEE CCCCCCCOc1c(C(=O)O)sc2ccccc12 105550920 RRAPYDNAVGPJGW-UHFFFAOYSA-N 292.400 4.949 30 10 CJEE C#CC[C@H](CCC)c1ccc(OCCC)c(C)c1C 107643766 XPKNZOFBFLZGKB-MRXNPFEDSA-N 258.405 4.999 30 10 CJEE CCCCCCCCCCNC(=O)C(CC)CC 108938679 RWHMCYQGGQWJBT-UHFFFAOYSA-N 255.446 4.680 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CCCCN1 109652723 VHCQAFRHXVJYSU-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCc2ccccc2C1 109900777 SEXLCCNHGLNQOW-QGZVFWFLSA-N 295.451 4.934 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 109945210 JBMKLPPNBFKKIR-BBWFWOEESA-N 268.404 4.638 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(OCC)c1 112888699 NKWRACFTKUINOS-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](N)CSc1ccc(F)cc1 116705492 UOQHOYTVEIGXQB-CQSZACIVSA-N 269.429 4.606 30 10 CJEE N#Cc1ccc(Cl)c(NC2CCCCCCC2)c1 125641133 GEOHNYKLGLLTIX-UHFFFAOYSA-N 262.784 4.736 30 10 CJEE Cc1cc(CNc2cc(C#N)ccc2Cl)c(C)s1 125663718 UZIFLMRCSRIJNA-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCCCCCCCCC[C@@H](F)C1CCNCC1 126688676 YGJOOXSICAIACO-MRXNPFEDSA-N 257.437 4.855 30 10 CJEE C=CCCC[C@H](NC)c1ccc(Cl)cc1Cl 128844738 ODHQGGIGENGYHB-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCOC1CCC(NC)CC1 129160222 UGSNCQKVVNXFRI-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](CC1CCCCC1)NN 130334527 BZQKRPDAMQJFPD-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCCCOCCOCCS 136716430 WGGMLOBOUZBKFB-UHFFFAOYSA-N 290.513 4.870 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCSC1 140349360 VKJRDJNQMDJZSR-CVEARBPZSA-N 271.514 4.858 30 10 CJEE Cc1cc(C)cc([C@](C)(O)C2(C#N)CCC(C)(C)CC2)c1 148735356 ARIFXHHVGQOECO-SFHVURJKSA-N 285.431 4.621 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(OC)cs1 158180376 JAUDBAYGIPLWIB-CQSZACIVSA-N 269.454 4.768 30 10 CJEE CCCCCCCCNC1CC(c2ccccc2)C1 160821593 OZHNFIACGSZTRU-UHFFFAOYSA-N 259.437 4.883 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cc(C#N)cc(C)n1 161154432 SUHSBBAWJQZTKX-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(N)c(C)c1 165710054 JVWPFVOIOWDQGC-FQEVSTJZSA-N 295.492 4.826 30 10 CJEE Cc1cccc(S[C@@H](C#N)C2CCCCCC2)c1 167876907 IOWHEKMPFQCRGW-INIZCTEOSA-N 259.418 4.950 30 10 CJEE CC1(C)CC(C)(C)c2cc(C#C[Si](C)(C)C)ccc2O1 203962018 KLSHKWXXHAGUAA-UHFFFAOYSA-N 286.491 4.754 30 10 CJEE CCC1(C(=O)[C@H](C#N)c2cccc(Cl)c2F)CCCC1 213696702 DCLBSMOJXOTDJV-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)c1cccc(Cl)c1 221027792 QILFHXZEEZWGQI-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCC(C)(C)C[C@@H]2C)C1 222165592 NUKQBBGSNGXCPC-CIRFHOKZSA-N 277.452 4.674 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC1CC1 227926290 DKXROXCAQPTHGK-ZACQAIPSSA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](Cc1nc(C)c(C)s1)NC 228880607 YROKJUPFPNHRMI-OAHLLOKOSA-N 282.497 4.641 30 10 CJEE CCCCCCCC(=O)c1ccc(C)c(F)c1F 231742089 AMOOGAMCJHFAIC-UHFFFAOYSA-N 254.320 4.816 30 10 CJEE CC(C)CCN(CCC(C)C)c1ccc(C#N)cc1F 232552833 RZIDODDXOCYFAW-UHFFFAOYSA-N 276.399 4.596 30 10 CJEE CC1(C(=O)[C@H](C#N)c2ccc(F)cc2Cl)CCCCC1 232829585 BWUYGSWMWYFBLE-CYBMUJFWSA-N 293.769 4.626 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)c(O)cc1C 232919006 LENSOPVEEODIBT-UHFFFAOYSA-N 277.408 4.698 30 10 CJEE C=CCCCCC[C@H](COc1ccc(Cl)cc1)NCC 233602074 GZLVJNGDOYKYPX-MRXNPFEDSA-N 295.854 4.833 30 10 CJEE C=CCCCCC[C@@H](CCCc1cccs1)NC 234422409 YUBJNBNVDGBTMG-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc2c(s1)CCSC2 234464439 WUIIACSKGGYTCX-CQSZACIVSA-N 295.517 4.934 30 10 CJEE N#Cc1cc(CNc2c(Cl)cccc2Cl)ccc1F 236210335 OOBOSKVLMWKUAY-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CC)CC[C@H]1NC 250838523 WLHUJGHSEKPHRL-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2cc(F)ccc2s1 305895829 HSPCNINDHDUKJO-UHFFFAOYSA-N 274.360 4.663 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@](C)(O)c1ccc(Cl)c(Cl)c1 307893101 LWABWFRHCNXRTL-KMUNFCNLSA-N 298.213 4.531 30 10 CJEE CCC[C@@H](CC(C)C)[C@@H](CC#CC(C)(C)C)NCC 308062596 VUWYQSWOGHBGMC-DLBZAZTESA-N 265.485 4.867 30 10 CJEE CCCCCCCCCNc1cn(C)nc1C(C)C 311977750 SCHHAVRUQOZIGC-UHFFFAOYSA-N 265.445 4.706 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccnn1C(C)C 312279903 HOPVWSIAWBTIIQ-INIZCTEOSA-N 279.472 4.865 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCOC[C@H]1C 312472934 BOBVCHSQSIABEY-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC(C)C1CCC(C=O)(CCCC(F)(F)F)CC1 316905369 UUCFJLMPDVQNEX-UHFFFAOYSA-N 264.331 4.751 30 10 CJEE C=CCCCCCC1(CNCCOC)CCC(C)CC1 318506516 KAGHLBQUCHBILP-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCC12CCCC2 328295122 SPTINXIIUCWNAO-INIZCTEOSA-N 272.367 4.531 30 10 CJEE CCO[C@@H]1C[C@H]([C@@]2(C#N)CCC[C@@H](CC)C2)C1(C)C 378697405 GXFCAWGMBZKILO-DLTWYDFYSA-N 263.425 4.548 30 10 CJEE C=C(CN[C@H](C)[C@@H]1CC2CCC1CC2)c1ccccc1 381817321 DXVYFZIEDTYHAH-JVDULTGUSA-N 269.432 4.504 30 10 CJEE CC(C)(C)CCC[C@@]1(C#N)CCc2ccccc2C1 387620340 NCUMBLSAEFKARL-GOSISDBHSA-N 255.405 4.902 30 10 CJEE C=CC[C@@H](CC)NC1CCC(C(C)(C)CC)CC1 393795033 HURNRWNVMDNINH-HWOWSKLDSA-N 251.458 4.926 30 10 CJEE Fc1cc(F)c(C(F)F)cc1SC(F)(F)F 396110322 PLUIDIIWGMMPOD-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H]1CCOC1)NC 400957091 HLHZWJJEMIZLIH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE Cc1ccc(C(=O)[C@@H](CC#N)c2ccccc2)c(Cl)c1 404664985 TXLPIVIYEGHJHF-AWEZNQCLSA-N 283.758 4.529 30 10 CJEE C=C(C)CCSCc1coc(-c2ccc(F)cc2)n1 507099154 ZTMIUARYUFNBTO-UHFFFAOYSA-N 277.364 4.680 30 10 CJEE CCc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 606208311 SBAWPMCDJXSKMZ-QXMHVHEDSA-N 270.759 4.799 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2C[C@@H]21 672744521 DDOVNZWTABZWDW-RDJZCZTQSA-N 298.430 4.555 30 10 CJEE C#CCCCCCNc1c(C)cc(C)cc1Br 686675582 ABMQICOQTKRAND-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE CSc1cccc([C@H](C#N)Nc2ccccc2Cl)c1 686949791 ZEHFPXGDHIPZTB-HNNXBMFYSA-N 288.803 4.739 30 10 CJEE CCC(C)(C)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688315243 KTKNZKORKUJMOC-ZDUSSCGKSA-N 265.441 4.530 30 10 CJEE CCCCCCCNc1ccc(Br)c(C#N)c1 690180248 NXUPPNQMQCRXDV-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE Cc1c(Cl)cc(NCC#Cc2ccccc2)cc1Cl 690276122 LADOFYDLPHNGMM-UHFFFAOYSA-N 290.193 4.765 30 10 CJEE C=CCC[C@H](NCCC)c1cc(Cl)cc(F)c1F 690912965 ILJLKZPMBLENMI-ZDUSSCGKSA-N 273.754 4.625 30 10 CJEE CCCCCCCC[C@@H](Cc1nc(C)sc1C)NC 691380268 NLXORDMHWCJJGV-HNNXBMFYSA-N 282.497 4.641 30 10 CJEE CCC(F)(F)C(C)(C)C[C@](C)(C=O)c1ccccc1 691806527 LUVJXHCLORKISO-OAHLLOKOSA-N 268.347 4.605 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC(C)(C)CC(F)F)C1 694122252 RXBXSSZYUYNFDO-SWLSCSKDSA-N 260.368 4.843 30 10 CJEE CCCCCCCCCCC(=O)c1c(Cl)cnn1C 696467603 MKZAVJULXFZIAY-UHFFFAOYSA-N 284.831 4.787 30 10 CJEE C=C1C[C@H]2CC(NCc3ccc(Cl)s3)C[C@@H](C1)C2 697304810 POGZMIRFMBKVRW-FUNVUKJBSA-N 281.852 4.626 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(C)cc(F)c3)C[C@@H](C1)C2 697308332 JLDMNURIHZPXAJ-VMZNBEPHSA-N 259.368 4.681 30 10 CJEE C=C1C[C@H]2CC(NCCc3ccc(Cl)cc3)C[C@@H](C1)C2 697333936 QJVQZIFNMKKABM-BYICEURKSA-N 289.850 4.607 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@H](C)N)c(Cl)c2)C1 703687509 AFGKYXQTBBHUEZ-KBPBESRZSA-N 292.854 4.542 30 10 CJEE CCCCCCCCCC[C@]1(N)CCC[C@@H](OC)C1 704894252 GFGRVGSXEVPKHA-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2cccc(C)c2Cl)C1 710739297 MMYDCPFTDZPGPL-UNEWFSDZSA-N 293.838 4.556 30 10 CJEE C=CCC[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712608658 NOYITAHWZUBZNN-NSHDSACASA-N 277.717 4.586 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(O)C1(C#N)CCCCCCC1 713118192 JIRHFAPBMJHTFT-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1cccc(Cl)c1C#N 718970111 ZEVKMACCSJCEIU-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE C=CCCn1ccc2cc(OCc3ccccc3)ccc21 720906761 ZWDBJHNZHPQANP-UHFFFAOYSA-N 277.367 4.796 30 10 CJEE CC[C@H]1C[C@@H]1CC1(C=O)CCC(C(C)(C)C)CC1 723108168 WCYQLJVLFGZCFY-FSOQPWQOSA-N 250.426 4.844 30 10 CJEE C=C1CCC(COc2cccc3ccccc23)CC1 724573527 PJORJENAKMAQIZ-UHFFFAOYSA-N 252.357 4.965 30 10 CJEE O=C(/C=C/c1ccc(C(F)(F)F)[nH]1)c1ccc(Cl)cc1 806566108 YJOFOJIPGJSTJO-FNORWQNLSA-N 299.679 4.583 30 10 CJEE C=CCC[C@H](C(=O)Nc1cccc(CC)c1)c1ccccc1 1124599778 BVTILPVJRXPHEW-IBGZPJMESA-N 293.410 4.938 30 10 CJEE C=CC[C@@H](C(=O)N[C@H](CC)C1CCCCC1)c1ccccc1 1125657788 ICCRQBOMHPTVKM-RTBURBONSA-N 299.458 4.821 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC1CCCCCC1 1131105114 BQCABGAGDQPYFQ-DLBZAZTESA-N 277.452 4.598 30 10 CJEE C=CCCC(C)(C)NC(=O)c1oc2c(C)ccc(C)c2c1C 1131589681 XAWRRGUSAIMMII-UHFFFAOYSA-N 299.414 4.833 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)[C@H](C)c1ccccc1 1136929027 HMKTUUTZINPAFZ-QGZVFWFLSA-N 287.447 4.979 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(C)nc2sc(CC)cc12 1162917318 WVPKPUOTMVTLJJ-LLVKDONJSA-N 289.448 4.719 30 10 CJEE C=CCC[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1ccccc1 1168656688 GSAUCLCMMLPMGO-CABCVRRESA-N 298.257 4.867 30 10 CJEE C=CCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 1170061852 DSFXMQIGCBWRQK-QRVBRYPASA-N 269.432 4.611 30 10 CJEE C=CCC[C@@H](CCC)NCc1ccc2[nH]c(C)cc2c1 1181566674 ZHARRZXUAAVNPM-QGZVFWFLSA-N 270.420 4.701 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2ncccc2C)C(C)(C)C)C1 1184218960 QXJGNUHJOYTUAW-JFIYKMOQSA-N 286.463 4.812 30 10 CJEE C=CC[C@@H](C)N[C@H](Cc1ccccc1)c1cccs1 1193240584 VBFJRWCSQHUAJU-GDBMZVCRSA-N 271.429 4.586 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H](C(C)C)CC1 1205477516 AVNODQNKYAEAQO-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1CCCC 1221757858 URHFZWVLUBYDLL-CVEARBPZSA-N 294.483 4.637 30 10 CJEE N#Cc1ccc(-c2cc(Cl)cc(Cl)c2Cl)nc1 1250463797 LQFDKLFHIAHBHC-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=CCCC[C@H](NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1 1288363983 DJVMZEHLVZBYFU-KURKYZTESA-N 297.442 4.636 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCC[C@H](C(C)(C)C)CC2)n1 1307095389 COGSBFHXQVVLDM-HOTGVXAUSA-N 285.435 4.669 30 10 CJEE C=CCOc1cccc(CNc2ccccc2C(C)C)c1 1308309002 HCHQPNNWPOZZDV-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE C=CCN(CC1CCCCC1)CC1(OC)CCCCCC1 1308634862 NNXWVUCAJQSJBT-UHFFFAOYSA-N 293.495 4.794 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)CCc1ccccc1 1308787474 VAQJCALUEFLHBW-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE C=CCC(CC=C)c1nnc(-c2cccc3cccnc23)o1 1328348349 PQIUWMBUVOBPCY-UHFFFAOYSA-N 291.354 4.521 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1ccc(-c2ccccc2)cc1 1349174788 BEZCBQGIKFELRX-INIZCTEOSA-N 294.394 4.999 30 10 CJEE C=CCCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1349424177 UGIZGLSLVIDMCK-UHFFFAOYSA-N 291.700 4.654 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1351712172 SDIDKHBVYXFVIO-MRXNPFEDSA-N 285.431 4.518 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 1356426313 XBMIUFUUTOAOEX-NVXWUHKLSA-N 287.447 4.882 30 10 CJEE C=CCOc1ccc(CN[C@H](C)C[C@H](C)CC)cc1Cl 1461249215 PPJWQKKAOQFJGG-ZIAGYGMSSA-N 295.854 4.819 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 1463255772 ACTZLHBRLFHMAQ-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=C(CC(C)C)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1467639938 YEUSHGLKERBSMA-HOCLYGCPSA-N 279.468 4.557 30 10 CJEE C=CC[C@H](CC)NC(=O)c1ccc(Oc2ccccc2)cc1 1519719505 QVZRXOMKVSVCHL-INIZCTEOSA-N 295.382 4.563 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCCCCCC 1521555298 CVAZRPDNXCAPNU-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)CC(C)C 1521555604 FOHXDFCNELDAKX-INIZCTEOSA-N 279.468 4.654 30 10 CJEE C=CCC1(C(=O)Nc2cccc(SCC)c2)CCCC1 1521914614 IIJIOEHAXDRDRE-UHFFFAOYSA-N 289.444 4.874 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)CC1CCCC1)c1ccccc1 1528623427 GEYJJYFGSPZESS-YOEHRIQHSA-N 272.388 4.673 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1528751305 FQDFFDSUBURWEL-UHFFFAOYSA-N 286.202 4.843 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1ccccc1 1536598991 FMXHHFURRCBUDX-FHWLQOOXSA-N 297.442 4.636 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H]1CCCc1ccccc1 1544400080 VAKLQIVRYYNIKT-GOSISDBHSA-N 299.458 4.603 30 10 CJEE C=CCCCCCN[C@@H]1CCC[C@H]1Cc1ccccc1 1559758711 HXCAHYQOHVPXNR-RBUKOAKNSA-N 271.448 4.734 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 1560296357 NEZFOTALAXFWMM-VXGBXAGGSA-N 284.230 4.828 30 10 CJEE C=CCC1(CNCc2cc(C)c(C)cc2C)CCCC1 1560471153 IKOVUDOPXZXMKH-UHFFFAOYSA-N 271.448 4.838 30 10 CJEE C=CCCCC[C@@H](C)Nc1cnn(CC(C)C)c1C1CC1 1560863058 ZJPXZRNTSKEPKS-OAHLLOKOSA-N 289.467 4.963 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 1560986760 KLFNHODCFHOQLF-UHOSZYNNSA-N 282.431 4.756 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccc(C(C)C)c(Cl)c1 1618692527 JEOQNNDXGJXKNV-UHFFFAOYSA-N 293.838 4.796 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccccc1C(C)C 1621139228 DXCODKYUUGIVLS-UHFFFAOYSA-N 279.427 4.998 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H](C)[C@H](C)CC)c1ccccc1 1625197519 VHAAGEAPVCWXGD-RYRKJORJSA-N 287.447 4.882 30 10 CJEE C=CCCCCN(CC)[C@@H](CC)Cc1ccccc1 1642240688 RVKOUEWSDGJSPZ-SFHVURJKSA-N 259.437 4.686 30 10 CJEE C=CCCCN(CC)Cc1c(C)ccc2ccccc12 1656402004 LXEQFNBWYXMXQS-UHFFFAOYSA-N 267.416 4.936 30 10 CJEE C=CCN(Cc1cccc2c1NCCC2)CC1CCCCC1 1657513463 ISQVYAVZBSMTEH-UHFFFAOYSA-N 298.474 4.613 30 10 CJEE C=CCOCCN[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1657702717 KOKXFCCLIDNGJT-QFBILLFUSA-N 289.463 4.689 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1OC 1659401859 WGABCVPUWMJIHO-CZUORRHYSA-N 293.838 4.573 30 10 CJEE C#Cc1cccc(CN[C@H]2CCCC[C@@H]2C2CCCCC2)c1 1659457155 DIYAWJLAAXPNBV-RTWAWAEBSA-N 295.470 4.897 30 10 CJEE C=CC(C)(C)CCN[C@@H](CCC)Cc1ccccc1 1660344754 ASUAVLUHYGZRFO-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CCC[C@@H](C)NCCCc1c(Cl)cccc1Cl 1665117964 HLZXULYVGJUMOA-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE CC(C)[C@@H](CS)CN1CCC[C@@H]1C1CCCCCC1 1876809907 DHHBVIYIZMTJCD-IAGOWNOFSA-N 283.525 4.623 30 10 CJEE C[C@H]1CC[C@H](CNc2cc(Cl)c(F)cc2C#N)CC1 1877936992 IMYAFTXMNBKMAZ-XYPYZODXSA-N 280.774 4.589 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H](C)CC1CCC1 1878859414 UEKMJLJJZGVPRE-MRXNPFEDSA-N 257.421 4.643 30 10 CJEE CCCCCCCCCN1CCC[C@H]1COC(C)C 1883425526 FXXAWPGQFNFTJP-KRWDZBQOSA-N 269.473 4.626 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)c1cc(C)cs1)C1CC1 1887500331 MOFUUHNQMUCCCW-HZPDHXFCSA-N 275.461 4.537 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H]1CC[C@H](CC)C1 1888688179 DUXPDGSPIXSBCV-JQHSSLGASA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1(C)CCCCC1 1888689918 UFRMLOHPCSCQMI-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE C=C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C1CCC1 1892935297 WMCIAJSDUBYJBF-CABCVRRESA-N 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271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCC[C@@H]1C)NN 2093410598 FKLAPRRPZVSHNS-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)c1snc(C)c1N 2093906881 SPJWAWNBLZBNIA-ZDUSSCGKSA-N 284.469 4.598 30 10 CJEE Cc1ccsc1[C@@H](C)N=C1N[C@H](C(C)(C)C)CCS1 2095313800 ICZVINMEDSRQKG-NEPJUHHUSA-N 296.505 4.615 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)c1cc(C)cs1 2099868910 MBQUMTBJUODOQB-GDBMZVCRSA-N 283.481 4.558 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CC[C@]3(C2)CC3(F)F)CC1 2099950844 VXRBNHRBUSYJNU-HIFRSBDPSA-N 268.347 4.518 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@@H]2CC23CCCCC3)c1 2100528636 XJAVBWKNRYGRRS-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@H]1CCCC(C)(C)CC1 2100866920 JDNYWIIRKZVZSY-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE Cc1ccsc1[C@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2100880909 SGVXHBQBXMVMQZ-GOEBONIOSA-N 277.433 4.590 30 10 CJEE CC[C@@H](Nc1cccc(C)c1C#N)C1CCCCC1 2102271629 TWVAHOOQSRPJFD-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@]1(C)C(F)(F)F 2105506900 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CCCCCCC[C@@](C)(O)c1ccnc(C(F)(F)F)c1 2157375122 XMAMCWUAZHYTSN-CQSZACIVSA-N 289.341 4.668 30 10 CJEE C[C@@H](N(C)CCCCC(C)(C)C#N)C1(C)CCCCC1 2157561494 AEEUCQTYKJKKEY-MRXNPFEDSA-N 278.484 4.997 30 10 CJEE C[C@H](N[C@H](CC#N)c1ccccc1)C1(C)CCCCC1 2157568153 RXVHDMFBRPRSKF-DOTOQJQBSA-N 270.420 4.590 30 10 CJEE CCCCCCCCO[C@@H]1CC(F)(F)CC[C@@H]1NCC 2162020243 VLFRUFPCUYLFJR-LSDHHAIUSA-N 291.426 4.529 30 10 CJEE C=CCOc1ccc(C(=O)CC2(C)CCCCC2)cc1 2163968980 UPPPGKQHDMYZMI-UHFFFAOYSA-N 272.388 4.795 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1C(C)(F)F 2164435282 GXIJVXFNAKUPLF-KFWWJZLASA-N 290.442 4.640 30 10 CJEE CCCCCCCCCCCN[C@@H](C)CNCC(C)C 2164500491 FXWSUSYZHSXOQQ-SFHVURJKSA-N 284.532 4.741 30 10 CJEE CC1(C)CC(F)(F)CC[C@]1(C#N)Nc1ccccc1Cl 2165023377 WWKLQLWGSAPGFA-CQSZACIVSA-N 298.764 4.860 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CC(C)(C)CO1 2166251581 ALXYVAFOYDCVON-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1ccc(C(C)C)cc1 2167610565 VWYWSYCWAXBUDD-SFHVURJKSA-N 271.448 4.900 30 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270.416 4.798 30 10 CJEE COC1(C(=O)C2=CC[C@H](C(C)C)CC2)CCCCCC1 2181661901 IYDFQAGCYKPYEM-HNNXBMFYSA-N 278.436 4.677 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(C2CC2)nc1 2181760518 UTPUQFDIKKAQSK-KRWDZBQOSA-N 274.452 4.970 30 10 CJEE C=C1CC(C[C@H]2CCCc3ccccc3[C@H]2NCC)C1 2182165857 OCEOZJZKXLCTIZ-MJGOQNOKSA-N 269.432 4.646 30 10 CJEE C=C([C@@H](NCCC)C1CC2(C1)CC21CCC1)C(C)(C)C 2183937180 VWDVMIFESUHMJN-KOHRHEQBSA-N 275.480 4.927 30 10 CJEE CC[C@](C#N)(C(C)C)[C@]1(O)CCCCCCCC1(F)F 2184366926 KJWDMGYEOQMYPW-LSDHHAIUSA-N 287.394 4.673 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2184452658 UOEZWBZQVNPKNB-WFASDCNBSA-N 294.801 4.977 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](CC)C2CCCC2)C1 2185838936 DHSNRFIWNLKPAF-VDHUWJSZSA-N 276.468 4.605 30 10 CJEE C=CCSc1ccccc1N[C@H]1COC(CC)(CC)C1 2189431675 RETBCCUGXQHNAF-CQSZACIVSA-N 291.460 4.724 30 10 CJEE CCCC1(C[C@H](NCC)c2cccc(C#N)c2)CCC1 2189683206 SUDBAPZCMFTHOY-KRWDZBQOSA-N 270.420 4.569 30 10 CJEE CC1(C)COCC[C@@]1(C#N)C[C@]1(C)CCCCC1(F)F 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30 10 CJEE CCCCCCCN(C)[C@@H](C)c1ccc(O)cc1C 2268007305 PXGPPCSNONDNCF-HNNXBMFYSA-N 263.425 4.664 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(Cl)cc(Cl)c1 2268752820 OXXHYBABINSLOW-OAHLLOKOSA-N 296.241 4.989 30 10 CJEE CC(C)(C)C#CC=CCNc1cccc2ccsc12 2268834715 QJLTTWINXOOEOA-UHFFFAOYSA-N 269.413 4.919 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H](C)C(C)(C)N 2271237196 FCLUSWXXHBUMGF-OAHLLOKOSA-N 269.473 4.850 30 10 CJEE C=CCCCCCC[C@H](NC)c1csc(C)c1OC 2271651414 WTCXBUNCPOHDIB-HNNXBMFYSA-N 281.465 4.852 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc(F)cc(C(F)F)c2)CC1 2271744466 FOFSUJAWJANVBV-SECBINFHSA-N 268.278 4.692 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@@H]21 2271791382 LUWKYRXJJQSKFZ-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCNC1CC2(CCC(F)(F)CC2)C1 2271796405 FSDVKIJTDWTVCR-UHFFFAOYSA-N 271.395 4.681 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccc(Cl)cn1 2271835563 VXFSYROIYNEQIJ-HNNXBMFYSA-N 280.843 4.912 30 10 CJEE C(#CC1CCCC1)CNc1ccccc1SC1CC1 2274107360 JKCXBBKFYQLZBH-UHFFFAOYSA-N 271.429 4.547 30 10 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2333960906 QGNMLJHYPNKLNG-KBUPBQIOSA-N 273.411 4.759 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNCC(C)C)c(C)c1 2335242711 SNFLQYDGOMPSIL-OAHLLOKOSA-N 277.477 4.797 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2337110561 BXMQURPDIFEOLW-DFBDCSAJSA-N 263.469 4.782 30 10 CJEE CCN[C@@H](C#Cc1cccs1)C[C@@H](C)CC(C)(C)C 2338243916 MKJRUGLREYKDRR-CABCVRRESA-N 277.477 4.540 30 10 CJEE CC(=CCNc1cccc(C#N)c1)CCCC(C)C 2338441466 ABTGWPRTNNUQGO-UHFFFAOYSA-N 256.393 4.743 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1cccc(Cl)c1)NCC 2338737736 GREMYKITOHFCLT-QGZVFWFLSA-N 277.839 4.629 30 10 CJEE C=C1CC([C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)NCC)C1 2338922387 ZEFBFYHHRUIIGV-LISAXSMJSA-N 261.453 4.537 30 10 CJEE C#Cc1ccccc1N[C@H]1CCC[C@@H](C(C)C)CC1 2339904199 FGKDWKXVQGLQGX-SJORKVTESA-N 255.405 4.685 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ncccc1C(C)C 2340240639 ZXWHMOLQFJJJGH-INIZCTEOSA-N 260.425 4.602 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(OC)c(Cl)s2)CCC1 2340339741 IHYZOWJDOXLTQN-LLVKDONJSA-N 299.867 4.807 30 10 CJEE CCCCCC#CC[C@H](CCC[C@@H]1C[C@H]1C)NCC 2341493372 BNCFGRZIMFCUFH-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc2c(c1)CCC2(C)C 2341931592 QZEATKIIPSMXTH-QGZVFWFLSA-N 257.421 4.527 30 10 CJEE C=CCCC[C@@H](O)[C@H](c1ccccc1)C1CCCC1 2342360145 LEQXOHUSHBTNBY-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1cccc(C(C)C)c1 2343604835 ZPYNEBBQYKBKOL-MSOLQXFVSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C)c(F)c1 2344371474 KLFNRZBFWDZMMT-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2344459218 FYHOTVJSFDHIGC-TXTZMMAHSA-N 264.453 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1cc(C)cc(C)c1C 2344460074 NZBUYEGBEANRLR-ROUUACIJSA-N 260.421 4.508 30 10 CJEE Cc1ccc(N(C)C[C@](C)(CS)C(C)(C)C)c(C)c1 2352318744 MVBIBCQRKHXFID-QGZVFWFLSA-N 279.493 4.722 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2354774540 GQPFYDVCHVCNJU-QKPAOTATSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CC[C@H](COC)C1 2355997885 NMAPEHOMSRTXFQ-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCC(F)(F)C1 2357778737 SEIPSPSBOCUZST-HRCADAONSA-N 284.390 4.988 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)[C@@H]2C[C@H]2C(C)(C)C)CC1 2357840365 PYJWCBLKDBURIF-ATNYBXOESA-N 277.452 4.530 30 10 CJEE C#C[C@@H](N[C@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CCCCC1 2358137321 KHHRMJFGBYOWRD-HCXYKTFWSA-N 273.464 4.517 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H](C)CC1CCC1 2360385219 YQPQPTDGIVQOCD-HOCLYGCPSA-N 284.440 4.643 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cccc(C#N)c1 20566366 GFEXIPIXRKJGPU-CVEARBPZSA-N 256.393 4.575 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1 36954471 KGEGCXCZIBLLCN-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C[C@@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 37271964 FCPCOOUJIHGODD-FHLIZLRMSA-N 284.447 4.814 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2 37393139 VHHSVBPQAGXUQI-GFCCVEGCSA-N 296.801 4.873 30 10 CJEE C=C(C)COc1c([C@@H](C)NC(C)C)ccc2ccccc12 37710478 NYAPUQIXHAAIAL-OAHLLOKOSA-N 283.415 4.854 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2nccs2)C1 40676881 ZBXMKDOXKQGNDL-SDDRHHMPSA-N 280.462 4.590 30 10 CJEE N#CCc1ccc(Nc2nc3cc(Cl)ccc3s2)cc1 51601772 CCRKOGNFTVBUMU-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE Cc1cc2nc(-c3cccs3)n(C[C@H](C)C#N)c2cc1C 57801589 XMTHAJOPLZRHRV-LLVKDONJSA-N 295.411 4.541 30 10 CJEE CCCCCCCNc1ccc(C)c2ncccc12 59462180 RUYAVZAPZGHGRE-UHFFFAOYSA-N 256.393 4.926 30 10 CJEE CCCCOc1cccc(-c2cc(C#N)c(CCC)o2)c1 77081457 QDXGHTWTOSXDEB-UHFFFAOYSA-N 283.371 4.950 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1 83194297 XXRMMDBLNCVCCZ-FMIVXFBMSA-N 294.394 4.987 30 10 CJEE COc1cccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)CC2)c1 86949193 XYCSVRIXDAQIPV-QAPCUYQASA-N 286.419 4.606 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(N2CCCCCC2)CC1 86961859 HOXHCKXOYVWCIC-SJLPKXTDSA-N 276.468 4.751 30 10 CJEE N#CC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 87945905 BXPVRFWVRWNGQB-UHFFFAOYSA-N 292.766 4.655 30 10 CJEE Cc1cccc(Cl)c1Nc1ccc(Cl)cc1C#N 90537810 PZUWBSHGRRUKNI-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1cccc(OCC2(CS)CCCCCC2)c1C 94582693 IHXMEESQQUZVJY-UHFFFAOYSA-N 278.461 4.953 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCCS 94583743 FVWXEDOYRATLLS-QLFBSQMISA-N 258.471 4.564 30 10 CJEE CC(C)(C)[C@@H](CS)COc1ccc(Cl)c(Cl)c1 94585465 FDKIIYRUFUWNGU-SECBINFHSA-N 293.259 4.964 30 10 CJEE CC(C)CC1(CN[C@H](C)c2cccc(C#N)c2)CCCC1 94873618 LIOWIAWHSGCTRL-MRXNPFEDSA-N 284.447 4.815 30 10 CJEE CCCCCCCCOc1ccccc1C[C@H](N)CC 109763417 RVNWDFJYWYAAMV-QGZVFWFLSA-N 277.452 4.706 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)NC1CCCCCC1 110029394 PTEPYQHVVHIEBK-KBAYOESNSA-N 276.468 4.653 30 10 CJEE CCCCCCCOC[C@H](NCCC)c1ccccc1 110081436 LXJWDIMRNAUPGP-SFHVURJKSA-N 277.452 4.714 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(C)oc1C 110227264 UVYQEFXIJHTFHR-MRXNPFEDSA-N 251.414 4.908 30 10 CJEE C=CCNCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 110235327 GPJBGWYGSZNULK-UHFFFAOYSA-N 289.463 4.555 30 10 CJEE CC1(C)Cc2cccc(Oc3ccc(C#N)c(Cl)c3)c2O1 110260665 ZNZJLGDGYMJZRB-UHFFFAOYSA-N 299.757 4.717 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2CC[C@@H]1O2 112646132 OGQQUXOTYZBCIO-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NCC[C@@H]1C 115269280 HBSSILXVAUZFCH-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@H](C(C)C)C1 115653873 QDNFRNDEUFPUSI-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc2c(c1)COC2 115857255 JAXZWOAJEAKWMS-GOSISDBHSA-N 275.436 4.857 30 10 CJEE N#Cc1cnc2ccccc2c1Nc1c(F)cccc1Cl 122253227 VABSOSHUWBKGQY-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C#CCCC[C@H](NCCC)C1(CC(C)C)CCCC1 122816602 UQUIUBASNGWODW-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cccc(OC)c1F 123801435 YFBMGZJJYBGEIN-INIZCTEOSA-N 295.442 4.845 30 10 CJEE C=CCC[C@@H](O)c1ccc2cc(Br)ccc2c1 124026003 MPFKEYBRKDSJPY-OAHLLOKOSA-N 291.188 4.602 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCCC(C)(C)[C@H]1O 124174646 JFQACHJXBQOIHV-AEFFLSMTSA-N 283.500 4.643 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2OC)CC1 129963090 FOTBPGKDKFWNMI-HOCLYGCPSA-N 286.419 4.728 30 10 CJEE CCC[C@@H]1CCCN(c2cccc(SC)c2C#N)CC1 136671052 VVNCQBMNOYCOOK-CQSZACIVSA-N 288.460 4.687 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCCCCCC2)c(C)c1 156806107 ZSLQRPFTXXKSJA-KRWDZBQOSA-N 271.404 4.591 30 10 CJEE CCCCCCC[C@H](NC)C1(OC)CCCCCC1 158489861 PRILTVFUTGDAOG-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1OCC[C@H]1C 162309330 OALUTAIVYSMMNI-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)ccc1Br 167703790 ZLXDQVLBJZMDTR-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCCC 191453237 JDDQABZOJKOEGL-UHFFFAOYSA-N 288.435 4.802 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Sc1ccccn1 222253154 ZLFUJERALUTJQT-ULQDDVLXSA-N 294.423 4.650 30 10 CJEE CCCCCCCCCCC(=O)Cc1cccc(N)c1 226440753 LFPLUILZDUHILF-UHFFFAOYSA-N 275.436 4.911 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCCC[C@@H]1N 226746078 DIHYAEGCZKFTOQ-SJORKVTESA-N 281.484 4.994 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cncc(OC)c1 229089078 DSZVHDWWINHZGX-SFHVURJKSA-N 292.467 4.882 30 10 CJEE CC(C)[C@H](C)Sc1ccc(C#N)c2ccccc12 232747044 ILDLSNHJDRBLMY-LBPRGKRZSA-N 255.386 4.848 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1csc(C)n1 233164535 XIAAFGFCMYTRDG-CQSZACIVSA-N 266.454 4.629 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(OC(C)C)c1 234461332 YEHVDCBRHRMZPN-GOSISDBHSA-N 275.436 4.871 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)cc(Cl)c1 235794174 NHMBVINVYOWOFP-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@H](CC)CC[C@H]1C#N 249814021 RDXYZVDGFQDQCU-WCXIOVBPSA-N 264.457 4.605 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1C(C)(C)C 250829973 QFYNCNHXPLACMR-IRXDYDNUSA-N 296.543 4.691 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@@H](C)[C@H]2C)CC1 252551124 PKBSTGCISQMGHE-IUGQGLEPSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1C[C@H]1c1ccccc1 252899949 IIVBMLYVYUSCEL-KSZLIROESA-N 259.437 4.739 30 10 CJEE C=C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)C(=O)C[C@@]23C)O1 257415959 FJWOJBDVJXUBLL-JCTKKGROSA-N 290.447 4.532 30 10 CJEE Cc1ccc(C(C)C)cc1-c1nc(CS)cs1 259399113 SYULJJOALYAMEF-UHFFFAOYSA-N 263.431 4.672 30 10 CJEE C[C@H](C#N)c1ccccc1-c1nc2ccccc2s1 260048142 CSWYZYKNNCGYOJ-LLVKDONJSA-N 264.353 4.590 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(C)cc(C)n2)C1 299950327 FTOKCDKLJRWBJR-QLFBSQMISA-N 274.433 4.509 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)[C@H](C)CC 300525453 YNRPTMHHLYTPKQ-SJORKVTESA-N 270.505 4.575 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCSc2c(F)cccc21 311751153 UWKWDUUXBAAHCK-AWEZNQCLSA-N 279.424 4.555 30 10 CJEE C=C([C@@H](NCCC)C1CCC(CC)CC1)C(F)(F)F 311887066 COXBUHSSZMTNTK-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(C)c(F)c1 312227247 IOLZXWXXODEXMC-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(n1)CCCC2 312669152 BIVHYFJPFLCZSD-MRXNPFEDSA-N 274.452 4.711 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cc(OC)ns1 320495254 OFSMPLBSOLICFO-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C=CCS[C@@H](c1ccccc1)[C@@H](NC)c1ccccc1 380032683 WNOSCWCORXMXLS-ROUUACIJSA-N 283.440 4.608 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 381890279 DGLGFTHAOXHRIA-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1c(Cl)cccc1Cl 385099337 ZKGOTZWYJIJQJL-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE C=C(COCCC)[C@@H](NCCC)[C@H]1CCCCC1(C)C 387541654 PEDQZDZNRRWARN-IAGOWNOFSA-N 281.484 4.554 30 10 CJEE CC(C)NC[C@@H]1CCCCC[C@@H]1CC#CC(C)(C)C 388881850 JKTMLSIDZFLNBV-SJORKVTESA-N 263.469 4.621 30 10 CJEE C#C[C@H](NCCCCCCC(C)C)c1ccccc1 393226457 SZKAWSMWFCHVGQ-SFHVURJKSA-N 257.421 4.557 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1c(F)cccc1Cl 394026368 GUTXCVHZSLCTCB-AWEZNQCLSA-N 281.802 4.569 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1cc(Cl)cc(Cl)c1 397626678 KYKAMUUHKSGYIW-VIFPVBQESA-N 271.191 4.591 30 10 CJEE CC[C@@H]1C[C@@H](C)CN1CCCCCCCCCS 399680545 QARCLQSKDSFKRO-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE CC[C@@H](CC(=O)C1=CC[C@@H](C)CC1)CC(F)(F)F 402316703 KSAFMVIUIBVOJV-MNOVXSKESA-N 262.315 4.671 30 10 CJEE C=CCC[C@@H](NCc1ccc(-c2cccnc2)cc1)C1CC1 438984136 JMKLOISHFCWZTQ-HXUWFJFHSA-N 292.426 4.583 30 10 CJEE C[C@H]1CC[C@@H](NCC2CCC(C#N)CC2)c2ccccc21 442875096 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CCCCCCCCC[C@]1(F)CN[C@@H]2CCCC[C@H]21 2122852021 PBIFTIFJGKCQOT-ZACQAIPSSA-N 269.448 4.997 30 10 CJEE C#CC(C)(C)C[C@@H]1CCC(C)(C)CC[C@H]1NCCC 2122933649 OMCAZCSPNPFNTG-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE Cc1oc2ccccc2c1C(=O)C1=CC[C@H](C)CC1 2124847160 LKRIITJHQFZVSY-NSHDSACASA-N 254.329 4.670 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ccccc2C2CC2)CC1 2125186587 IPZOSWCQTOAVFH-CYBMUJFWSA-N 254.373 4.883 30 10 CJEE C=C1CC(C[C@H](NCCC)C2C[C@H]3CC[C@H](C2)C3)C1 2125728616 IXVXYXRWAONODV-MPGHIAIKSA-N 261.453 4.537 30 10 CJEE C=C(F)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 2126088338 UAHYZWPKCRPSFW-IXDOHACOSA-N 269.448 4.794 30 10 CJEE C=CC1(Nc2cc(Cl)c(F)cc2C#N)CCCCC1 2128008518 LQKYWFCRWYPPRB-UHFFFAOYSA-N 278.758 4.652 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(Cl)c(F)cc2C#N)C1 2128013479 PWMLVYRHCISQQJ-ZYHUDNBSSA-N 280.774 4.731 30 10 CJEE C=CC1(CN[C@@H]2CC(C)(C)CC3(CC3)C2)CCCC1 2132982132 YFPBQHNCXDAGHH-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@@]1(C#N)CCOC12CCCCC2 2134051306 XKEGJVZFEVZIKG-INIZCTEOSA-N 263.425 4.980 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@@H](C)c2ccc(Cl)cc2)N1 2136524707 GSUUUNJLABCUKS-MJVIPROJSA-N 296.867 4.508 30 10 CJEE CC[C@@H](C)[C@H]1CSC(=NC2CCCCCCCC2)N1 2136527429 XLXQAIHXKVFWJB-UKRRQHHQSA-N 282.497 4.597 30 10 CJEE CCCCC#CC[C@H](O)C1CCC(C(C)(C)C)CC1 2138912270 MKEQEYIXNCGYMD-JCYILVPMSA-N 264.453 4.784 30 10 CJEE CCCCC#CC[C@H](O)[C@@H]1C[C@@H]1C1CCCCCC1 2138954330 KIESJKRHQGTVFV-KURKYZTESA-N 262.437 4.538 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@@H]1C1CCCCCC1 2138956582 MJDOZRJGZJAJQU-QZTJIDSGSA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@H]1CCCC[C@H](NCCC)C1 2138980745 GNEXYCYURFJKKA-ROUUACIJSA-N 263.469 4.909 30 10 CJEE CCCCCC#CC[C@H](NCCC)c1ccoc1Cl 2138999915 FXKMNEISZBSGTB-HNNXBMFYSA-N 281.827 4.948 30 10 CJEE CCCCCCC[C@@H](O)c1cc(F)cc(OCC)c1 2139197619 SWGYUFQSPOGUMG-MRXNPFEDSA-N 268.372 4.618 30 10 CJEE C=C(C)CN(CC1CC2(C1)CC1(CCC1)C2)C(C)C 2139214888 WDBFOSYYTATAPH-UHFFFAOYSA-N 261.453 4.633 30 10 CJEE C=CCCCCCC[C@H](N)C(C)(C)c1ccccc1 2141906782 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CC1(C)CCC[C@]1(C=O)C[C@H]1CCCc2ccccc21 2149430546 LSLZTECDQNPCTC-VQIMIIECSA-N 270.416 4.892 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)c1ccc(C)o1 2149854641 GIEJZADASNNAPO-KRWDZBQOSA-N 273.420 4.603 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)[C@H]1CCC[C@@H]1C 2150054610 QWSNTABAANPYID-XLAORIBOSA-N 283.500 4.512 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2cc(C)c(C(F)F)cn2)C1 2151979983 MODCFYRLPYOARJ-LRDDRELGSA-N 278.346 4.689 30 10 CJEE C=C([C@@H](NCCC)c1ccc(OCC)cc1)C(C)(C)C 2152941566 HNBLJHINNHHZAZ-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(OC(C)C)cc2)CC1 2154682514 DWYHUPGLTWPIIX-SFHVURJKSA-N 273.420 4.610 30 10 CJEE CCCCCCCCCCC[C@H](CN(C)CC)NCC 2155694976 HQXYXLVFRVGWSK-GOSISDBHSA-N 284.532 4.837 30 10 CJEE C=C1CCC(Nc2cc(C)c(C(F)(F)F)cc2N)CC1 2157440252 DJVBEJBXTMVRQS-UHFFFAOYSA-N 284.325 4.507 30 10 CJEE CN(CC1(C)CCCCC1)[C@H](CC#N)c1ccccc1 2157596997 JLURZBLOHHJINX-QGZVFWFLSA-N 270.420 4.544 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C1(COC)CC1 2157890261 YIMIQOXIJSRVLF-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1C[C@@H](OC(C)(C)C)C1 2158319398 CFQGLKFJJSHVKL-NXOAAHMSSA-N 281.484 4.551 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CC23CCC(F)(F)CC3)C1 2165683331 ATPHQJLLIKHHTE-KFWWJZLASA-N 284.390 4.988 30 10 CJEE CC1(c2cccc(NCC3(C#N)CCCCC3)c2)CC1 2166303966 KXPPVAYCDSOMPZ-UHFFFAOYSA-N 268.404 4.624 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CC3(CC3)CO2)C1 2166430128 LCBUVDUYLNSZIW-AWEZNQCLSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1nc(C)cn1C 2166615431 SDMMVPNSWGFACV-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(C(F)F)o1 2167135698 HKSWKYDSPWCVCW-LBPRGKRZSA-N 283.362 4.698 30 10 CJEE C#CC(C)(C)COc1cccc(Oc2ccccc2)c1 2167602776 CAJSLMRCYMMOTM-UHFFFAOYSA-N 266.340 4.517 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)[C@@H]2CCC[C@H](C)C2)CC1 2168635622 XNBOHGZNNYOJDL-DROMLMRLSA-N 277.452 4.674 30 10 CJEE N#C[C@]1(CC2CCC3(CC2)CC3)CCc2ccccc21 2169086398 FPTDRAFZFUHUOV-LJQANCHMSA-N 265.400 4.755 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](O)c2ccccc2Cl)C1 2169757524 ILXGIDOKJBJRNC-KBRIMQKVSA-N 294.822 4.549 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1csc(C(C)(C)C)n1 2169850280 PUKVGSAVFMRGKI-CYBMUJFWSA-N 294.508 4.564 30 10 CJEE N#C[C@H](CN1CCC[C@H]1c1cccs1)C1CCCCC1 2169961352 KGAXGFKWWMGKSX-CVEARBPZSA-N 288.460 4.605 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc(C)c(F)cc1F 2173466132 KXRWMNLYWMFEJV-KRWDZBQOSA-N 279.374 4.508 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H](C3CC3)O2)CCCCC12CCC2 2173629392 NMVXOUWLJRMAMB-LZLYRXPVSA-N 273.420 4.588 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@H]2CCC3(CCCCC3)O2)CC1 2175708754 GCEUJAKNXIOMTL-HZPDHXFCSA-N 276.420 4.574 30 10 CJEE CC(C)(C)c1nc(CC2(C=O)CCC3(CC2)CC3)cs1 2176573902 UGXMAVCLYKFWDV-UHFFFAOYSA-N 291.460 4.523 30 10 CJEE CCCCCCCCCC[C@H](O)C1C[C@@H]2CC[C@H](C1)O2 2181339828 WUJBZQVLFXLAQG-FBVQUNGASA-N 282.468 4.836 30 10 CJEE COc1ccc(C(=O)C2=CC[C@@H](C(C)C)CC2)c(C)c1 2181674606 CPKUVAQESQREEC-CQSZACIVSA-N 272.388 4.569 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCC[C@@H](OC)C1 2182771415 CCPYRUBWNJHJRA-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H](OC)C1 2182780958 VALPHFAZURHHCT-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](NN)C1(F)CC2(CCC2)C1 2184396924 GYXZELVTVJTTSV-HNNXBMFYSA-N 284.463 4.631 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N1CCC[C@H]1C1CCCC1 2184413271 XYLUXDYYOVVRCU-HNNXBMFYSA-N 292.785 4.510 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)c(F)cc1C(=O)O 2184465391 MEERLPRBJMDWEW-UHFFFAOYSA-N 299.773 4.582 30 10 CJEE C=CCCCC[C@H](NCCC)[C@](O)(CC)CCC(C)C 2186056233 QBFYUHMYULPOCZ-ROUUACIJSA-N 283.500 4.678 30 10 CJEE CCc1ccc(C#N)c(N2CCC[C@H]2c2cccs2)c1 2188838703 HAFLXIGECYNDKV-HNNXBMFYSA-N 282.412 4.524 30 10 CJEE CCc1ccc(C#N)c(NC[C@H]2CCC[C@H]2C(C)C)c1 2188842547 VXSMTXAUBZYSKG-SJORKVTESA-N 270.420 4.605 30 10 CJEE C=CC1(CN[C@@H]2c3ccccc3CC2(C)C)CCCC1 2189510176 YUFSOEDNQCKCEE-QGZVFWFLSA-N 269.432 4.646 30 10 CJEE CCCCCCCCC[C@@H](O)c1nccn1C(C)(C)C 2189835551 UOBMWDXVPYLHHT-OAHLLOKOSA-N 280.456 4.812 30 10 CJEE CC(C)(C)c1ccc(C#N)c(SCC2CCCCC2)n1 2192042925 KTLDLVSGXWDUMU-UHFFFAOYSA-N 288.460 4.923 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30 10 CJEE CCCC[C@H](C)CCC(=O)[C@H](C#N)c1cccc(F)c1 2206998699 OLRXLXJFNOBYPW-XJKSGUPXSA-N 275.367 4.608 30 10 CJEE C=CCCCCCCCC[C@](C)(O)C[C@@H]1CCCCN1 2207430095 QFQYPECQNQXXCD-ROUUACIJSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]2CC[C@@H]2C1 2207431333 DTDHSWPPGHTXRE-MHORFTMASA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@H](N)c1coc(C(F)F)n1 2207446547 FXCYWVYLRLURKV-LBPRGKRZSA-N 286.366 4.919 30 10 CJEE C=CCCCCc1ccc(Br)cc1C 2209908924 UPERNTIZNCFHMB-UHFFFAOYSA-N 253.183 4.656 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@]2(Cl)CC2(C)C)C1 2216094207 CHIPIKMYDFRHOY-VHDGCEQUSA-N 256.817 4.570 30 10 CJEE CCCCCCCCCNC[C@@]1(Cl)CC1(C)C 2216157914 XAUSVVHARAPIMU-HNNXBMFYSA-N 259.865 4.734 30 10 CJEE CCCCCCCCCOc1cccc(Cl)n1 2216891777 SNGPJNMZYCCEET-UHFFFAOYSA-N 255.789 4.864 30 10 CJEE C=CCCCCC[S@](=N)(=O)CCCCCC1CC1 2220022551 JMKGGNNOHSJJLG-SFHVURJKSA-N 271.470 4.750 30 10 CJEE C=CCCCCCCC[C@@H]1CC[C@@H](NC)[C@@H]1CC 2220083851 HLVKLQIODWFXFJ-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE 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BVJGXMSGCROTGQ-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@H](CN)CCC 2235522438 UJLVKULMIYQFJQ-ZWKOTPCHSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC(=O)C1(N(C)C)CCCCC1 2235525379 ZLOGXQICSUKVFD-UHFFFAOYSA-N 279.468 4.737 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncoc1C(C)(C)C 2235536750 XQTIOTNLUXFQJD-CQSZACIVSA-N 278.440 4.889 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@@H]1CC[C@@H]1C)NCCC 2236225305 HJNUFWKJIDAPBI-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](C)NC[C@]12C[C@](C(C)C)(CO1)C2 2238317458 HLKHNFHMHWFPKO-BZSNNMDCSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCC2(CC2)[C@H]1N 2239465834 YWQCIIOHXKZWFB-SJORKVTESA-N 281.484 4.804 30 10 CJEE CC[C@H]1CCC[C@H](C(=O)C#Cc2cccc(Cl)c2)CC1 2239486786 JWILCGIDPHGHQI-HOCLYGCPSA-N 288.818 4.867 30 10 CJEE CCCCCCCCCCCOC(=O)C[C@@H](N)CCC 2239497288 FLHSSZANAHWFII-INIZCTEOSA-N 285.472 4.578 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2c1CCCC2 2239506053 VWYCJVQXKVTGIT-GFCCVEGCSA-N 294.826 4.523 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC2(CCC2)[C@H]1O 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2259198472 IUAVJRUGZXVREJ-CQSZACIVSA-N 274.738 4.788 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCCC(C)(C)C1 2259238091 RGJRCQHPXRPPJA-INIZCTEOSA-N 252.398 4.794 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc2cscc2s1 2261172346 OEDMFGVIFNCCDQ-CYBMUJFWSA-N 276.426 4.580 30 10 CJEE CCCCCCCC[C@H](CC(C)C)OCCCN 2263016227 DOCHLQOBBKIMPV-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)C1(F)CC1 2263713281 RHMLZKSADWUTGZ-HUUCEWRRSA-N 257.437 4.996 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)COCC 2263718415 QTNDAPPVWBYYRV-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCC[C@H](CC)CSc1cc(C)nc(C#N)c1 2263779498 HOQOCRLSXHADMN-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE CC1(C)C[C@H]1CSc1ccc(C#N)c2ccccc12 2265220861 LYVCTMCILWFKPI-ZDUSSCGKSA-N 267.397 4.850 30 10 CJEE N#Cc1ccc(NCC[C@@H]2CCCC23CC3)c(Cl)c1 2266657838 AQRBPSFWYDSGSR-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1c(Cl)cccc1OC 2271747873 PIFUFQBSVXDCFQ-CQSZACIVSA-N 281.827 4.746 30 10 CJEE C[C@H]1CC[C@@H](C(C)(C)CC#CC2CCCC2)C(=O)C1 2274108052 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2284083907 LYKYAFOCSNZFEV-SQNIBIBYSA-N 275.480 4.774 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C1(C)CCC(C)(C)CC1 2284091915 JWPSYEXFMFMWOP-MRXNPFEDSA-N 276.464 4.950 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC12CCCC2 2284094106 DVJNQAVTCHAATJ-IAGOWNOFSA-N 273.464 4.541 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)C[C@@]1(C)COC 2284713597 VBSRJDYKFIRJQE-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCSC[C@@H]1CC[C@H](C(=O)OC)C1 2287076019 QEEPBWNOEMITDL-CVEARBPZSA-N 298.492 4.836 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C(=O)O 2287190530 ZJAGYFABZYPZML-RBSFLKMASA-N 298.492 4.992 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)c1csc(C)c1 2287390101 LYYGABJOZNCWLW-SJORKVTESA-N 295.492 4.595 30 10 CJEE CCC[C@@](C=O)(CC)CN(CCC(C)C)C1CCCC1 2287673980 OZSHDGKMVRSWAP-SFHVURJKSA-N 281.484 4.673 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@@]12CCCC[C@@H]1CC2 2289078431 URTOTPPKBFRGDM-AEFFLSMTSA-N 269.388 4.524 30 10 CJEE N[C@H](C#CC1CCCCC1)c1cc2ccc(F)cc2s1 2289786817 MJNODELRUOWXIR-OAHLLOKOSA-N 287.403 4.624 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1(C(C)C)CCC1 2289854011 FRXAMVOAACFKLJ-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C[C@@]12CCC[C@@H]1C2 2289875737 RZBOTCMEBWKDSL-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CC1(C)CCC(C)(C)[C@](C#N)(Nc2ccc(F)cc2)C1 2290240493 IFQQZSPGCKQDFK-KRWDZBQOSA-N 274.383 4.736 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C=CCC1)OCCC(=O)O 2291131674 PAKHNQRAKZIWEJ-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCC[C@@H](C)CC1 2291673701 YSPJDMDYMIADDM-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C1=CCCCCC1 2291953288 ZSRXBLJOJOQASB-INIZCTEOSA-N 282.424 4.707 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCC(=O)O)[C@@H](C)CC(C)C 2292316537 TVBVJZSFAXVRIG-ZOBUZTSGSA-N 284.440 4.521 30 10 CJEE C=C(C)CCCC[C@@](C)(Cc1ccsc1)OCCCN 2292785718 WYACUESFHMMDJC-KRWDZBQOSA-N 295.492 4.551 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C=CC[C@@H](CC)C1 2292905829 JYOPONXHOFAEQF-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CCC[C@H]1C 2293179119 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CCCC[C@H](CC)CSC[C@](C#N)(CC1CC1)NCC 2295766974 SDKRCWDDHCXUDO-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(C)cs1 2304027614 JSCYBAGLNQUICY-LSDHHAIUSA-N 251.439 4.700 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C)c(Cl)cc1C 2304126440 XIQPRIKKJHLCFG-AWEZNQCLSA-N 252.785 4.593 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CCC[C@H]1C(F)F 2313061013 JAVBOWACIKLGFB-BFHYXJOUSA-N 261.400 4.746 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc2sccc2s1 2316748465 AJZSHEDEKMTLLM-OAHLLOKOSA-N 277.458 4.992 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CC[C@H]2C(C)(C)C)C1 2320314800 LIXJRWJEJNYAAR-KCYZZUKISA-N 250.426 4.844 30 10 CJEE CC1(C)CCC(OCC2(CS)CC(C)(C)C2)CC1 2321742024 UHOHFRRMAWCVNY-UHFFFAOYSA-N 270.482 4.708 30 10 CJEE CCCCCCCCC[C@](C)(SC1CC1)C(=O)O 2326958636 IEGWHXNYIGGXFB-HNNXBMFYSA-N 272.454 4.866 30 10 CJEE CC[C@@H]1CCC[C@@H](OC[C@](C)(CS)C(C)(C)C)C1 2327117105 ZQJBYVSTCRLOOM-IIAWOOMASA-N 272.498 4.954 30 10 CJEE CSc1cc(N[C@H](C)CCC(C)C)ccc1C#N 2328522558 VHCPUFXXENTEIR-GFCCVEGCSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2329137676 SKNPWQCUJMDOLK-SOUVJXGZSA-N 273.411 4.760 30 10 CJEE CCc1ccc(C(=NOCc2ccc(C)cc2)C2CC2)cc1 2330301318 LUCMXIVHHZHPBQ-UHFFFAOYSA-N 293.410 4.888 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 2333706392 MHYKZEKXKBMTMP-PNKHAZJDSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)SCC(=O)c1cc(C)ccc1C 2335244940 KIEXMDICJPEEQQ-UHFFFAOYSA-N 274.429 4.740 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@H]1C[C@H]1C1CCCCC1 2337064908 ZYUSPICWYACUDH-BDXSIMOUSA-N 261.453 4.537 30 10 CJEE CN(CCCCCCCS)CCc1ccccc1Cl 2338836506 LJNFSYJJUXFVTH-UHFFFAOYSA-N 299.911 4.695 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(F)cc1C1CC1 2339196132 MTFVUJBEJNJUHK-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1c(Cl)cccc1Cl 2339571445 FYBWJMIOIBPWQL-SMDDNHRTSA-N 296.241 4.694 30 10 CJEE C=CCC(CC=C)SC[C@@H](CC1CCC1)NCCC 2340924252 QLNKOYYXXMTWLA-MRXNPFEDSA-N 281.509 4.799 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CCC[C@H](C)O1 2341290738 ANZJMTGZPCMZDD-BBWFWOEESA-N 269.473 4.802 30 10 CJEE N[C@H](CCCCC(F)(F)C(F)(F)F)CCCC(F)F 2342328666 LJGSCLGEBPCRLI-MRVPVSSYSA-N 297.258 4.507 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(Cl)c(C#N)c1 2343275546 VGKIFAOXFQQOOP-SMDDNHRTSA-N 276.811 4.696 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1C[C@H]2CCC[C@H](C1)C2 2344338282 YFNPNOIZFUIAMH-LAQRGFTBSA-N 263.469 4.913 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(C)cc1Cl)NC 2344348930 OTUDXHZIOMOKLY-DLBZAZTESA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NC 2344370891 GBVVZUACFHYUJI-DISONHOPSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)C(CC1CC1)CC1CC1 2344383411 SBOHGOXSGLKJNY-ROUUACIJSA-N 263.469 4.783 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1[C@]1(C#N)CCCCC1(C)C 2344803940 TUMCWWYYJCYFBS-ZMSDIMECSA-N 263.425 4.690 30 10 CJEE CC(C)C[C@@H]1CC[C@@H]1N(C)C[C@@](C)(CS)C(C)(C)C 2352077966 GPCIGDUWSSSGBV-ZOBUZTSGSA-N 285.541 4.725 30 10 CJEE CSc1cc(NC2(C)C(C)(C)C2(C)C)ccc1C#N 2353825901 SOTUCJLGRMGDGU-UHFFFAOYSA-N 274.433 4.517 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2C[C@H]1CO2 2359121917 XNUWIIWOLRKWDR-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]2C[C@@H]2CO1 2360179718 KUZAPFHMMBFIDG-XDNAFOTISA-N 281.484 4.530 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2360218275 BPFUPDUCTOYJPR-BLLLJJGKSA-N 295.854 4.910 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)c(OC)c1 2360367108 VDICLOCDKRCRQC-UONOGXRCSA-N 293.476 4.640 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccccc2Cl)c(C)c1 37938172 DZNAIDQZSBXLEY-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2ccccc2F)cc1 41385510 CRQWLHVVJGKPKV-KRWDZBQOSA-N 267.347 4.799 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)c(F)c1 43390744 YHIJJYSBMCYUNK-CQSZACIVSA-N 295.144 4.809 30 10 CJEE Cc1c(C#N)oc2c(Cl)cc(Cl)c(Cl)c12 52068733 LQJHCMPWJIZGAQ-UHFFFAOYSA-N 260.507 4.573 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1csc2ccccc12 54464769 OCMDQCDCCPNWRW-HNNXBMFYSA-N 282.343 4.717 30 10 CJEE N#C[C@@H](CCOc1ccc(Cl)cc1)c1ccc(F)cc1 57685530 SNFZHODSEKAQEH-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(C#N)cc1 59261087 KVUFSGJKKCVYCZ-HNNXBMFYSA-N 258.409 4.569 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ccc(C)c(C)c1 61682008 BQSVHQASZNEIQT-WBVHZDCISA-N 271.404 4.696 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(N2CCCC2)cc1 62996689 CGUYRVGAZQSWTI-UHFFFAOYSA-N 297.789 4.555 30 10 CJEE Cc1ccc(C)c(Sc2nc3c(cc2C#N)CCCC3)c1 70139623 YKPWURLUDPVDNN-UHFFFAOYSA-N 294.423 4.600 30 10 CJEE Cc1c(Cl)ccc2c(CC#N)cc(C(C)(C)C)nc12 82468301 KRXCIODPIYXEMX-UHFFFAOYSA-N 272.779 4.560 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)CC1 86949164 XLDCMGYARQLXGM-WMLDXEAASA-N 274.383 4.880 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2csc3ccccc23)C1 87973413 SHUQOWLGIDOKMT-MLGOLLRUSA-N 255.386 4.774 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@]1(C#N)CCC[C@@H](C)C1 91875686 IZLKAGWLMIXPSE-DZVNLGKHSA-N 277.452 4.530 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634219 AXGHKWUYDQGEOV-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE Cc1ccc(C#N)cc1NCc1c(Cl)cccc1Cl 103989086 ZTLJSXDCRJSNQZ-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCO[C@H](C)CNC(C)(C)CC 104014831 FDXBATFDBLVJIA-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCn1c([C@@H](C)N)nc2ccccc21 104065842 NZTGDDPKFSUGGK-OAHLLOKOSA-N 287.451 4.807 30 10 CJEE CCCCCCCCOCc1ccnc(Cl)c1 107361946 YROHAKKKVAKQRC-UHFFFAOYSA-N 255.789 4.612 30 10 CJEE CCC#CCCc1cc(Cl)c(C)cc1OCCC 107622425 SPNQDQOBCHTVQA-UHFFFAOYSA-N 264.796 4.783 30 10 CJEE CCC#CC[C@H](C)c1c(C)cc(OCCC)cc1C 107647544 MOBFBRZZJMIOPX-AWEZNQCLSA-N 258.405 4.999 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1)NCCC 109721535 YVAGUNNZLGSLQU-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CCCCCCCO[C@@H](c1sccc1C)[C@@H](N)CC 109987346 DNEDHZBBCTYOEB-LSDHHAIUSA-N 283.481 4.822 30 10 CJEE CCCCCCCCCC[C@H](N)c1cccc(C)n1 110474716 BOVDUPMAFSCTHO-INIZCTEOSA-N 262.441 4.921 30 10 CJEE CCCCCCCCCCN1CCNCc2ccccc21 112878403 NGZUIXVFJWXUPM-UHFFFAOYSA-N 288.479 4.737 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(N(C)C)cc1 115651555 VUAYIZXNDYQRRE-GOSISDBHSA-N 277.452 4.927 30 10 CJEE CCCCCCCCCOc1cccnc1Cl 115759990 RHEFVJULQPLZQG-UHFFFAOYSA-N 255.789 4.864 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCCOC1 116141201 ZRVPJMVLJQCPIK-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)c1ccccn1 117686802 UFLAIPPNTYQPSR-SJORKVTESA-N 276.468 4.914 30 10 CJEE CCCCCCCCCCCCNC[C@H](O)C(C)C 124783651 MICBPUSFQBDUQY-KRWDZBQOSA-N 271.489 4.514 30 10 CJEE CCCCCCCCCC[C@@H](CSC(C)(C)C)NN 126608682 AQNWGXNIRWJMNN-HNNXBMFYSA-N 288.545 4.881 30 10 CJEE CCCCCCC[C@@H](NC)c1c(Cl)cnn1CCC 127506542 DMQFZRSWJSTRDF-CQSZACIVSA-N 285.863 4.568 30 10 CJEE N#Cc1cc(NC2CCC3(CCCC3)CC2)ccc1F 129374723 ISMSDRTVUPDXEN-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130477337 JVIZXQJPNVMXFD-DOTOQJQBSA-N 275.436 4.572 30 10 CJEE CCCCCCCCOC(=O)c1cccc(C)c1F 132380346 CULMUFWYFKVBAI-UHFFFAOYSA-N 266.356 4.651 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc2c1OCC2 133294827 PFBONDODOITHBT-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccncc1OC 134647292 NFHLJVXWQDMKGH-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE Cc1cc(Nc2ccccc2C(C)(C)C)c(C#N)c(C)n1 156583300 KDQKJABENANYCT-UHFFFAOYSA-N 279.387 4.611 30 10 CJEE N#Cc1ccc(Nc2ccc3ccccc3c2)cc1F 160500520 HEQHLPJFBOIHQJ-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCCCCCCCN[C@@H]1CSc2ccccc21 160782586 RCFBBDORCJRVSF-OAHLLOKOSA-N 263.450 4.784 30 10 CJEE CC#CCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 168079046 URMLFVXOINUPAW-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@@H](C)CC[C@H]2C(C)C)cc1 218576422 SXCGPNCXCKKWDY-RYQLBKOJSA-N 270.420 4.762 30 10 CJEE CCCCCCCCC[C@H](CN)N(CCC)CC1CC1 219685216 VOXZBWWZUXYHRA-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)CCC(C)C)C1 222795315 IBZFBIDPSYNMOA-ZACQAIPSSA-N 278.484 4.709 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)s1 226656498 RCFMVVTZNHLKTO-DHSIGJKJSA-N 292.407 4.755 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2 228817055 PYMUJSHTSABIEC-QAICXNGDSA-N 261.453 4.536 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)ccc1Br 229755272 WRFGAEOIHMREBF-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCC(C)(CC)Nc1ccc(C(F)(F)F)c(C#N)c1 230959165 NQTAFXGRPMTUBY-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE C=CCCCCC[C@@H](CC1CC(OCC)C1)NCCC 233124060 FHVMLNNXOAZGCD-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCNc1cc(Br)cc(OC)c1 234795700 WRRSUZZKJVFGHX-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2COc3ccccc32)C1 252638842 JDHJBUCCKWXFJS-VKJFTORMSA-N 269.388 4.663 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@@H](CC(C)C)C2)C1 300329211 RXYVVQKFWSICHO-OWSLCNJRSA-N 277.452 4.674 30 10 CJEE N#CC1([C@@H](O)C2CCCCCCC2)CCCCCC1 311274885 DQQNKAUSYDHMCS-INIZCTEOSA-N 263.425 4.572 30 10 CJEE CCCCCCCCNC(C)(C)Cc1ccccc1 311737896 QETBCVVAMRRPME-UHFFFAOYSA-N 261.453 4.958 30 10 CJEE CC[C@H]1CCC[C@@H](C2(C=O)CCC(C)(C)CC2)C1 317424144 GHJZAGWKEBOQKU-LSDHHAIUSA-N 250.426 4.988 30 10 CJEE C=CC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 381839790 BOTNNFRXLXHAGR-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@H](C#N)c1ccccc1 387404914 RMCLVLZDMRGGLP-XLIONFOSSA-N 292.426 4.594 30 10 CJEE CC(C)(C=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C 387499924 FYQZCRMOBAXOOZ-UHFFFAOYSA-N 276.420 4.638 30 10 CJEE C=C(COCCC)[C@H](NCC)c1cccc2ccsc12 395631533 CNUUZBDXIYJZHI-INIZCTEOSA-N 289.444 4.535 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCC1)c1ccc(Cl)cc1Cl 397108371 HDWLWRRRWQTINC-PWSUYJOCSA-N 297.229 4.584 30 10 CJEE CCC[C@@H]1CCCN(C[C@@H](C#N)C2CCCCC2)CC1 397330871 SSOAJSLSQMEEHY-SJLPKXTDSA-N 276.468 4.609 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1ccccc1Cl 397509806 MCLSIDQCLBKXEO-SNVBAGLBSA-N 253.798 4.618 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cc(Cl)ccc21 398319671 XRWZPLPLSLDGQX-JTQLQIEISA-N 280.824 4.896 30 10 CJEE CCCCCCCC[C@@H](N)CC(C1CC1)C1CC1 400989795 GKGPMCFQDIJQEX-MRXNPFEDSA-N 251.458 4.891 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1 403424218 SKXKXTHPRRVSBI-FQBRJNOBSA-N 262.437 4.988 30 10 CJEE CCCCCCCCC[S@](=O)Cc1cccc(C#N)c1 526901950 FQZPXGAZRCFRGZ-FQEVSTJZSA-N 291.460 4.558 30 10 CJEE CCc1cc(OC(F)F)c(C(F)(F)F)cc1C(F)F 575654179 QGMJICPMXWZPQJ-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE Oc1ccc(/N=C/c2cc(-c3ccccc3)ccc2O)cc1 642772812 UBGDBYXAFVRIHZ-DEDYPNTBSA-N 289.334 4.515 30 10 CJEE C#CCCCCC[C@H](C[C@@H](C)CC(C)(C)C)NC 686686884 SPBGOTUUGAYCIM-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE C#CCCCCCC(=O)c1ccc(C(C)(C)C)cc1 686697565 NOYNFZIMTAFEQT-UHFFFAOYSA-N 256.389 4.751 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(Cl)ccc1C 686708660 MKHRUBIKEAPHNO-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCC2)CCS1)C1CCCCC1 687320007 QVJJUKHDJOABMK-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@]12COC[C@H]1C2 689168289 ZYTMWPIVPCTLRK-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCCSCC1 690293741 XOBPXERBBKJSNV-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1cccc(CC#N)c1 691052707 HEUYACYHGPFQGS-WBVHZDCISA-N 256.393 4.523 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)[C@H]1CCC12CCCCC2 694231735 ZANZZUGJPFKUGB-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE CCN[C@@H](C)c1cccc(S[C@@H](C)CC(C)(C)C#N)c1 695780283 UKNKJNKKBDXSQT-KBPBESRZSA-N 290.476 4.778 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@@H](C)c1ccccc1Cl 695840620 DBUSYFPFUQDEJE-STQMWFEESA-N 278.827 4.661 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCCOC2CCCCC2)C1 699955717 ZMYXAGPOJBXKRR-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE CC[C@@H](C)c1ccc(OC[C@@H](CS)C2CC2)cc1 702034069 ZTGHOEYDSOZJQW-DOMZBBRYSA-N 264.434 4.535 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)C(C)(C)C 702268365 UWWBQUQTNBAHII-GXFFZTMASA-N 284.230 4.692 30 10 CJEE CCCCCCCNc1c(N)ccc(Cl)c1C 703780976 SZQJZLZSVHZMQQ-UHFFFAOYSA-N 254.805 4.613 30 10 CJEE CCCCCCC[C@@H](NC)c1cccnc1C(F)(F)F 704280883 GYKHBVFGXHBZDP-CYBMUJFWSA-N 288.357 4.721 30 10 CJEE C=CC[C@H]1CCCCN(c2c(Cl)cc(N)cc2Cl)C1 705905802 BGUNPDHLFVGMQB-NSHDSACASA-N 299.245 4.758 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1CCC(C(F)(F)F)CC1 710619668 ZOFHUYXBCMHVRN-BPCQOVAHSA-N 297.792 4.866 30 10 CJEE C=CCCCCCN1CCc2c(Br)cccc21 713334690 YJYICUVWZRCUAC-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714452839 WYDMUUIPWDXHRP-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE C=CC[C@@H](C)C1(CNC)CCC(C(C)(C)C)CC1 715827835 HODFEEMOFJDUBF-HPUBIQBYSA-N 251.458 4.641 30 10 CJEE C=CCCC(C)(C)Nc1nc(C(C)(C)C)nc(Cl)c1C 717607621 CGQJBPONTZUSFI-UHFFFAOYSA-N 295.858 4.893 30 10 CJEE CC1CCC(C=O)(C[C@H](C)COCc2ccccc2)CC1 719578428 DSKRNMRZVQSXRO-HFCFLWKCSA-N 288.431 4.625 30 10 CJEE CCCCCCC[C@@H](C)NCc1ncc(C)cc1C 724059879 KVZUSFPQKNJJBA-MRXNPFEDSA-N 262.441 4.537 30 10 CJEE C=C1CCC(C[C@H](O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 724585511 FYCCUOWFTLATIS-ZVZYQTTQSA-N 264.453 4.946 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/N[C@H](C3CCCCC3)CCS2)C1 725105890 RJBKUZJVMBERKA-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2C)C2CC2)cc1 821227648 ZZTBZKKGLUFCGV-VXPUYCOJSA-N 279.383 4.634 30 10 CJEE Cc1ccc(/C(=N/OCc2cccc(F)c2)C2CC2)c(C)c1 821229220 NQHMBDNCYLUXEV-XUTLUUPISA-N 297.373 4.773 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1126324699 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CCCCCCC[C@H](C)Nc1cccc(OC)c1OC 1474705919 VLXUEADMZAKNFO-AWEZNQCLSA-N 279.424 4.865 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(F)ccc1C)c1ccccc1 1520011830 WDCVJBNCSLQARK-SFHVURJKSA-N 297.373 4.571 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C1CC1 1530116348 QFZHTQBTKJBNBS-ROUUACIJSA-N 297.442 4.960 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C)c1ccccc1 1531501469 DJCOHMVNHBWGTF-OGWHTMIXSA-N 299.458 4.677 30 10 CJEE C=C1CCC(CNC(=O)[C@H](CC(C)C)c2ccccc2)CC1 1537682690 ZVUOCQQUKBLIKM-LJQANCHMSA-N 299.458 4.679 30 10 CJEE C=CCC1(C(=O)NCC[C@@H](C)c2ccccc2)CCCCC1 1540003419 GCQGEXLRJNMSKX-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=CCC1(C(=O)NCC2CCCCCC2)CCCCC1 1543453967 GEBGWEBADZCSQS-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CC(C)(C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] 1559273107 ZCELQLCYZAPZBS-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCCCc1cccc(Cl)c1 1560017830 VVKUAQCDVHBZLR-HDICACEKSA-N 289.850 4.846 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(-c2cccnc2)c1 1560414969 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4.778 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2nc(Cl)ccc2Cl)C1 2108747786 BSRSRSSHIOASGG-GFCCVEGCSA-N 299.245 4.567 30 10 CJEE C=CC1(C[C@]2(CNC(C)C)CC[C@@H](CC)C2)CCC1 2111708491 NNCJUYSPQVWXLU-AEFFLSMTSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@]2(CNC(C)C)CCS[C@H](C)C2)CCC1 2111718950 AYLOEBPTLBEGHJ-WBVHZDCISA-N 281.509 4.633 30 10 CJEE C=C1C[C@@H]1C[C@H](NC)[C@H]1CC[C@H](CCCCC)CC1 2112399952 APVMZVZJBCIOHB-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CCCN[C@@H](CCC#CC1CC1)c1ccc(Cl)cc1 2113450109 QQORNASPPCWFSQ-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE C=CCC(C)(C)NCc1csc(C2CCCCC2)n1 2113535732 MOPBBWIHAOSGTD-UHFFFAOYSA-N 278.465 4.635 30 10 CJEE C#CCCCCC(=O)[C@H](c1ccccc1)[C@@H](C)CC 2116848754 XBSNQCMDURWSPI-YJBOKZPZSA-N 256.389 4.579 30 10 CJEE C=CC1(C[C@@]2(CNCCC)CCCC23CC3)CCC1 2116971930 ORHFYYOQPIRCKH-GOSISDBHSA-N 261.453 4.683 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@@H]2C(F)(F)F)CCCC12CC2 2116994714 JVPKMXYROSQAHU-MBNYWOFBSA-N 271.326 4.829 30 10 CJEE CCC#CC[C@]1(CNC(C)C)CCCCC12CCC2 2117454055 GAFPTDNZQLZRAM-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCC#CC[C@H](CSc1ccccc1Cl)NCCC 2117454436 KAKFMGVDYNYXRD-CQSZACIVSA-N 295.879 4.604 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccccc1C(C)(C)C 2117652287 UGGYYQUYDYDXTO-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE Cc1cc(C)cc(CC2(C#N)CCC3(CC2)CC3)c1 2120100243 FYTFJWXTIGBKDI-UHFFFAOYSA-N 253.389 4.710 30 10 CJEE Cc1cc(C)cc(CC(=O)C2=CCC(C)(C)CC2)c1 2125214771 AYXUSDSPKADRQQ-UHFFFAOYSA-N 256.389 4.552 30 10 CJEE C=CC[C@](C)(Nc1cccc(Cl)c1C#N)C(F)(F)F 2125762828 CJEHLGOGEPOKBH-LBPRGKRZSA-N 288.700 4.521 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)[C@H]1CCN1 2125825594 YABXIVDNRYBVGJ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE N#CC1(Cc2ccc(F)cc2Cl)CCC(F)(F)CC1 2128466348 CDFWGOLGIQOJLF-UHFFFAOYSA-N 287.712 4.741 30 10 CJEE C=C([C@@H](NCCC)C(F)(F)C1CCCC1)C(C)(C)C 2128805282 SXGSDMNYLUZJME-CQSZACIVSA-N 273.411 4.782 30 10 CJEE CC[C@H](CCC(C)C)N=C1N[C@H](c2cccs2)CS1 2129526639 ZHNRNTSKGTTYQS-OLZOCXBDSA-N 296.505 4.696 30 10 CJEE CCC(C)(C)c1ccc(OCC#C[Si](C)(C)C)cc1 2130930572 RHZZTTSZPXDSNZ-UHFFFAOYSA-N 274.480 4.634 30 10 CJEE CC1(C)CC[C@]1(C#N)[C@](C)(O)c1ccc(Cl)c(Cl)c1 2131997079 YKCAXXYJKUMMQQ-HUUCEWRRSA-N 298.213 4.531 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(C(F)F)n1 2132241443 ZKTDGUHRCPRGIB-ZYHUDNBSSA-N 288.407 4.724 30 10 CJEE C=CC1(CN[C@@H](C)c2ccc(SC)cc2)CCCC1 2132975565 LWNBVQUFBNLOCB-AWEZNQCLSA-N 275.461 4.806 30 10 CJEE C=CC1(CN[C@@H](C)[C@H]2CC3CCC2CC3)CCCC1 2132984035 WZJYIHPQZYRTRH-ZGRYLRDCSA-N 261.453 4.537 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@H]2CC[C@@H]3C[C@@H]23)C1 2134445124 MGRMNTYYSTZMBV-QLFBSQMISA-N 262.437 4.844 30 10 CJEE CC[C@H](C)[C@H]1CSC(=Nc2ccccc2C(C)C)N1 2136531096 MOUGZDAZWVMTFY-SWLSCSKDSA-N 276.449 4.549 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1cc(C)c(C)s1 2138193213 NGIISYYZWNFBFU-MRXNPFEDSA-N 282.449 4.659 30 10 CJEE CCCCCC#CC[C@@]1(O)CC(C)(C)CC2(CC2)C1 2138945859 WERXJRHYLQAAHB-GOSISDBHSA-N 262.437 4.682 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc(F)c(Cl)c1 2138958149 DTOXHLHSXVDZPG-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE 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N#Cc1ccc(N[C@H]2CCCCCCC2(F)F)c(Cl)c1 2152770815 CXOPKCOOWHXVKX-AWEZNQCLSA-N 298.764 4.982 30 10 CJEE C=C(C)CC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 2152857452 SANXTHCNOIHUAV-NSHDSACASA-N 282.309 4.734 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(O)CCC[C@H]1C(C)C 2152922554 AQEISKWHMXXJSY-BZSNNMDCSA-N 283.500 4.642 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@](C)(O)CSC(C)(C)C)CC1 2157117938 QFFXRWFDFRQZQL-IRXDYDNUSA-N 297.508 4.769 30 10 CJEE CC1CCC([C@@H](C)NC[C@H](C#N)C2CCCCC2)CC1 2158447321 MMZPTGMIJGXBGB-CSKOPFHVSA-N 276.468 4.511 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc([C@@H]3CC3(F)F)cc2)CC1 2158762195 JENJEXXMSJQAFY-ABAIWWIYSA-N 276.326 4.738 30 10 CJEE C[C@@H]1CCC[C@H](CN=C2NC[C@H](C(C)(C)C)CS2)CC1 2159517893 JFYKHKRXWDLGPV-ILXRZTDVSA-N 296.524 4.558 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCS[C@H](C)C1 2159715934 KXSKCWWPWFKBQC-AEFFLSMTSA-N 295.536 4.574 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)CCOC(C)(C)C1 2161596924 HLKHFXXASXJURX-GOSISDBHSA-N 281.484 4.674 30 10 CJEE CCCCCCCCNCc1cc(C(F)(F)F)ccn1 2163828009 IZIKFLZRNRYNOK-UHFFFAOYSA-N 288.357 4.551 30 10 CJEE C=CCOc1ccc([C@@H](N)C[C@@H](C)CC(C)(C)C)cc1 2164020648 LTOIKHJARGMBHU-PBHICJAKSA-N 275.436 4.714 30 10 CJEE C=CCC[C@H](NC)c1cccc(Oc2ccccc2)c1 2164142519 ZZQJUZFDLZATPW-SFHVURJKSA-N 267.372 4.706 30 10 CJEE CCCCCCCCCCCNCCN1CCCCC1 2164501262 KGTXWYCTZOQFQD-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1CC2(CCCCC2)CO1 2166229269 YUTZZSUKHHZSOW-IAGOWNOFSA-N 280.452 4.901 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H]2[C@H]3CCCCC[C@H]32)CCC1 2168031235 NPDZRQLWBSKOBS-MHORFTMASA-N 275.480 4.927 30 10 CJEE CCC1CCC([C@](C)(O)[C@]2(C#N)CCCC[C@H]2C)CC1 2168396634 GTDCXNLISBMQPU-UIJHXXCUSA-N 277.452 4.674 30 10 CJEE CCCC(C=O)(CCC)CN(C)C[C@@H]1CCC[C@H](C)C1 2172247895 FEIKQVHOVVBFSF-DLBZAZTESA-N 281.484 4.530 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1cc2cc(F)ccc2o1 2173291395 YTQKLLNJGQXXGM-WFASDCNBSA-N 275.367 4.825 30 10 CJEE Cc1cccc([C@H](O)C[C@@]2(C#N)CCCCC2(C)C)c1 2173640095 SEUFBLXNKJUTLW-SJLPKXTDSA-N 271.404 4.529 30 10 CJEE CC1=C[C@@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)CCC1 2175785588 RVSNRRLUQZUTJM-GOSISDBHSA-N 275.436 4.594 30 10 CJEE Cc1ccc(C#N)cc1OCc1ccc2sccc2c1 2177206581 XTXPYHFVYMCONF-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE CCNc1cccc(C#Cc2cc(Cl)c(C)cc2F)c1 2179350447 ARGUHYYRFHBZKD-UHFFFAOYSA-N 287.765 4.619 30 10 CJEE C=CCCCC[C@@H](NCCC)C1(OC)CCC(C)CC1 2179683530 VMNRVJNHEISJRJ-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@@H](NCC)C1(O)CC(CCCC)C1 2180061102 OKMRMVLYAMFQSP-LXPRWKDFSA-N 283.500 4.656 30 10 CJEE CC1(C)C[C@@H](CC(=O)C2=CC[C@@H](C(C)(C)C)CC2)CO1 2181643071 RFCWXSSZHFXJIC-UKRRQHHQSA-N 278.436 4.533 30 10 CJEE CC[C@@H](C1CCCC1)N(C)C[C@H](CS)c1ccccc1 2185838180 UETZNCUMDLATKS-MSOLQXFVSA-N 291.504 4.601 30 10 CJEE C[C@H](N(C)[C@@H](CC#N)c1ccccc1)C1(C)CCCC1 2187839935 FSXPXYUNVPAVNP-RDJZCZTQSA-N 270.420 4.542 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2nc(C(C)(C)C)ccc2C#N)C1 2192039851 HCYAHXJPNLMQOR-TZMCWYRMSA-N 288.460 4.922 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2N[C@H](CC)[C@@H](CC)S2)CC1 2192876757 KNPPJQJIXMPPAH-KLHDSHLOSA-N 296.524 4.843 30 10 CJEE CC#CCCC[C@H](NCCC)c1csc(C(C)(C)C)n1 2194067454 PRJNXSYKCQGMRW-AWEZNQCLSA-N 292.492 4.675 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC1(CC)CC1)NC 2195267435 XNQPFGCHLYGUNS-SJORKVTESA-N 283.500 4.656 30 10 CJEE CCCCCCCN(C)[C@@H](CC)[C@@H](CCC)NCCC 2196730412 WARPDJFGUIEPND-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)C(C1CCC1)C1CCC1 2196858996 QKFUYPRGVQWAQP-MAUKXSAKSA-N 275.480 4.621 30 10 CJEE CCCN(C[C@H](C#N)C1CCCC1)C1CCCCCC1 2197118832 MOTNLKDGGDRHEI-KRWDZBQOSA-N 276.468 4.751 30 10 CJEE CCCN(c1ccc(C#N)c(F)c1)C1CCCCCC1 2197144021 FLVRJYXAOVDINP-UHFFFAOYSA-N 274.383 4.637 30 10 CJEE CCCN(c1ccc(C#N)cc1C)C1CCCCCC1 2197147417 OSDICGVHOYQOLI-UHFFFAOYSA-N 270.420 4.806 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2C[C@@]23CCOC3)C1 2198341697 SLMDRTVZEIRDIG-KBXCAEBGSA-N 275.436 4.549 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@]23CC[C@@](CC)(C2)OC3)C1 2201839545 ZAWSYFLHXWQPDH-XSLAGTTESA-N 278.436 4.511 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccc(CSC)cc1 2203811564 XUBXEKYSFFWHBH-GOSISDBHSA-N 289.488 4.784 30 10 CJEE O=C[C@@]1(CC2C3(CCC3)C23CCC3)CCCC12CCC2 2204027467 YIWCGFYQRIELKM-KRWDZBQOSA-N 272.432 4.886 30 10 CJEE C=CCCCCCC[C@H](N)c1cccc(OC2CC2)c1 2206884145 FLHDJIPLROINPL-SFHVURJKSA-N 273.420 4.754 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CCC2(CCC2)O1)NC 2206884757 IOPXSHGPAUDZAH-SJORKVTESA-N 279.468 4.593 30 10 CJEE C=CCCCCCC[C@@H](NN)C1(C)CCC2(CC2)CC1 2206889417 AWOMELDBIQFBHM-MRXNPFEDSA-N 278.484 4.705 30 10 CJEE C=CCCCCCC[C@@H](COC1(C)CCCCC1)NC 2206891745 MMBZHGIPPNUBMS-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@@H](NN)c1cc2ccccc2s1 2206895286 SKMHJROYMWIGAF-OAHLLOKOSA-N 288.460 4.932 30 10 CJEE CCCC[C@@H](C)CCC(=O)[C@@H](C#N)c1ccccc1C 2206999985 UWSYFNDEUDIHEB-PBHICJAKSA-N 271.404 4.778 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccccc1N 2207391982 OLMPWPWXAGUYDI-SFHVURJKSA-N 275.436 4.999 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1CC(C)(C)CO1 2207413119 IRCHGRKPGSFRTD-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@@](C)(N)C[C@H]1CCOC1 2207431591 GWBLCWUFOUMMOR-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2207433869 BKBHCZHSFNWURY-ZSXDVEMLSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCC[C@]1(O)CCOCC[C@H]1CC 2207435149 HWQLUBYFUYNNFO-MSOLQXFVSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCCNCc1cc(C(F)F)no1 2207436813 MAXSMKIZPDDQCN-UHFFFAOYSA-N 286.366 4.619 30 10 CJEE CCCCC[C@@H](CC)Oc1nc(CC)c(C)cc1C#N 2207446700 USFALZAOFPYXKZ-OAHLLOKOSA-N 274.408 4.562 30 10 CJEE CCCCCCCC[C@H](CN)N1CC(C)(C)CC[C@@H]1C 2207446814 VICNUKRQPWVMQC-DLBZAZTESA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCCC[C@@H](C)[C@@H](C)NCCOC 2207449815 SATYBPZOFUKIMR-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccoc1Cl 2214624291 XAQJKIZNYSCFTJ-CYBMUJFWSA-N 256.773 4.883 30 10 CJEE C=C(Cl)C[S@@](=N)(=O)CCCCCCCC1CC1 2216956427 OKPYNOYINSYKLD-KRWDZBQOSA-N 277.861 4.536 30 10 CJEE CCCCCCCCCC[C@H](O)C#CC(C)(C)C 2218570935 WYKGKHZMJTWIOB-INIZCTEOSA-N 252.442 4.928 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](C)c1c(Cl)cccc1Cl 2219205118 VVSUJJHVFRXUKP-NWDGAFQWSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCC[C@H](CCC(F)F)NCC 2220088695 MPCYXNYESUKSNZ-CQSZACIVSA-N 261.400 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1Cc2ccccc21 2227271954 MVUOUAKNLIOIRY-MSOLQXFVSA-N 258.405 4.604 30 10 CJEE C=CCCCCCCC[C@](C)(O)c1nc(C)c(C)s1 2227290763 KFEFZOXOSFPYEP-INIZCTEOSA-N 281.465 4.884 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CC[C@H]1OC 2227846355 YZOFWSNHQZHSGR-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CC(C)c1cc([C@@]2(C#N)CCCCC2(C)C)ccn1 2228120911 SFHIHKVWPLQNJD-KRWDZBQOSA-N 256.393 4.567 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2cc(C)cc(Cl)c2)c1 2229671414 UHEGDOKPYCGXOO-ZDUSSCGKSA-N 269.775 4.803 30 10 CJEE CCCCCC#CC[C@@]1(O)CCC[C@H](C(C)(C)C)C1 2229852855 XEDZUHFFDVUDDR-FUHWJXTLSA-N 264.453 4.928 30 10 CJEE CCCCCCCCCOCCC[C@H](NC)C(C)C 2230983608 ZYWVBEROPPDHIC-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCO[C@@](C)(CC(C)C)C(=O)O 2230994536 YMHIVKLWKRDJKY-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H]1CC[C@@H]1OC 2231898241 GAPDBGJUJQVJJA-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@](C)(O)CCC[C@@H]1CCOC1 2231901638 RRXSWWQVBVVRIZ-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCCC[C@H](C)Nc1cnn(C)c1CC 2231924730 IZUOOAACEAUPEY-AWEZNQCLSA-N 265.445 4.534 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@]1(C)CCCC(F)(F)C1 2233781272 GBQULPQFVMYYHO-ZBFHGGJFSA-N 285.422 4.620 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@H]1C[C@@H]1C1CCCCCC1 2233799266 QVJFTMSYYWGXTP-FGTMMUONSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCOc1cccc(CNCC)c1 2235521794 MZYOBIVOGXBIML-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccc(C)nc1C 2235523080 AZGPLGONERXUPI-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCC(=O)c1c(F)cccc1OC 2235525196 YOAYQQJQLJQSQL-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE CC1(C)CC(C)(C[C@@]2(C=O)CCOC23CCCCC3)C1 2236531866 JAVZXVFMTMCEBI-QGZVFWFLSA-N 278.436 4.511 30 10 CJEE CCCCCCCCCC12COC(CNCCC)(C1)C2 2238369195 CXBYPEYXCQGPIM-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE N#Cc1ccc(NCCCCC(F)F)c2ccccc12 2238483474 HGPKSFDWBCIUJT-UHFFFAOYSA-N 274.314 4.559 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](NC)CC(C)(C)C1 2239465816 YUWPBHCBQFWPLN-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)[C@H](CC)CC(C)C 2239469041 RQMJAJDPQLPAIZ-AEFFLSMTSA-N 291.866 4.742 30 10 CJEE C=C[C@H](CCCCC)OC[C@H]1CC[C@@H]1CNC(C)(C)C 2239487834 UPASBPGXWPSPNS-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CC[C@@H]1C(=O)O 2239493970 YLSKXHWQQHGYEI-HOTGVXAUSA-N 284.440 4.645 30 10 CJEE CCCCCCCC[C@](C)(N)c1cnn(C(C)(C)C)c1 2240612887 QSMWSLNCKAIRGP-KRWDZBQOSA-N 279.472 4.563 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2cccc3ccoc23)CC1 2241166334 VABNXUOCDBBLKN-CYBMUJFWSA-N 268.356 4.998 30 10 CJEE C=CCCCCCCCS[C@H]1CCCCC1=O 2250027182 FOCRFAHOGAMXBJ-HNNXBMFYSA-N 254.439 4.758 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(C)c(Cl)c1 2250132510 JVAIYAIGLCGRBU-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE C=CCC1(NCc2csc(C3CC3)c2)CCCC1 2256086787 XPKPXPADJSUMGG-UHFFFAOYSA-N 261.434 4.604 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C#N)CCC(F)(F)C1 2257314764 ZQDVLSBCZXTEHU-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE C=CCCCCCCCS[C@H]1CC[C@@H](NCC)C1 2259060800 QDCXMIJZEVRYLS-CVEARBPZSA-N 269.498 4.777 30 10 CJEE CCCCCCCCC1(N)CCC2(CCS2)CC1 2260180126 HBRXMQWIBRZPFX-UHFFFAOYSA-N 269.498 4.884 30 10 CJEE N#Cc1ccc(CSC2CC3(CCC3)C2)c(Cl)c1 2260481948 JJWYUKQHIHTVJO-UHFFFAOYSA-N 277.820 4.778 30 10 CJEE CC[C@@]1(C)CCCN(CCCCCCCS)CC1 2263207045 WDMKTHQURZSHEN-INIZCTEOSA-N 271.514 4.769 30 10 CJEE CC#CCCCN[C@H](C)CCCCCCCCC 2263718916 WODLZNKVKGQWQN-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE C=CCCCCC[C@@](C)(O)c1cc(Cl)ccc1OC 2268059074 DWDYJFPLRPLVPO-MRXNPFEDSA-N 282.811 4.693 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cccc(Cl)c1F 2268769450 XCUHHSUZHCOEEB-UHFFFAOYSA-N 278.754 4.658 30 10 CJEE CCCCCCC[C@@](C)(O)c1nccc2sccc12 2268948852 YPZNBNVTLYBNRR-MRXNPFEDSA-N 277.433 4.864 30 10 CJEE C=CCCCOc1cccc(Cl)c1[C@H](C)NCCC 2269401827 FKKOTSZTVSOFSM-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE Cc1cnc([C@@]2(C#N)CCCC(C)(C)CC2)c(Cl)c1 2271896811 WFHNGRLYCXGOKS-INIZCTEOSA-N 276.811 4.795 30 10 CJEE C=C[C@@H](C)CCN(C)Cc1ccccc1C(C)(C)C 2273231324 XDGMMHQRRIGWHG-OAHLLOKOSA-N 259.437 4.628 30 10 CJEE C=C[C@@H](C)CCN[C@H]1c2cc(Cl)ccc2CC1(C)C 2273233281 QEKFKQIGNNSPPN-WBMJQRKESA-N 277.839 4.765 30 10 CJEE CC1CC2(C1)CC(SC[C@H](C#N)c1ccccc1)C2 2273296027 KZSJNLAYGLHJOX-UXLYTODLSA-N 271.429 4.606 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@]12CCC[C@@H]1CC2 2273323242 APBNITIYAQWQTP-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE CC1(C)CCC([C@@](C)(N)CC#CC2CCCC2)CC1 2274181063 MTERUSOOKUUCDP-SFHVURJKSA-N 261.453 4.504 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)C(CCC)CCC 2276368168 BPXNJLDZLSKYPI-WBVHZDCISA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H](C)CC(C)C 2276460741 OKWDFVJGILAPRR-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE C=CCCCCCCCCC[C@@H](CC)OCCCN 2276813769 RSFAQJPLONTESM-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CN(CCCCCCCS)[C@@H]1CCCCC(F)(F)C1 2277510913 YEYPTAMZHVENHW-CQSZACIVSA-N 293.467 4.767 30 10 CJEE C=CCCC[C@@H](NC)c1ccc2cccc(Cl)c2n1 2277634862 VLNWNMZENMYUJX-CQSZACIVSA-N 274.795 4.505 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@H](C(C)C)O1 2278238125 ROAFFVQSAHBRRL-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CC(C)c1ccc([C@H](N)CC=CC#CC(C)(C)C)cc1 2284089805 QYAMEILMETVPDX-GOSISDBHSA-N 269.432 4.806 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1c(F)ccc(F)c1Cl 2284100242 FXEVMNQCHBKVPU-ZDUSSCGKSA-N 297.776 4.614 30 10 CJEE CCCCCCC[C@H](NCCC)c1cn(C(F)F)cn1 2284789399 CAMGUXFGWMCHPF-ZDUSSCGKSA-N 287.398 4.679 30 10 CJEE CC(C)=CCC[C@H](C)CCOc1cc(C#N)cc(Cl)n1 2284872984 AIGCVDWWONPNPF-ZDUSSCGKSA-N 292.810 4.758 30 10 CJEE CC(C)C(Oc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 2286191104 MLRVGYGEYKVDBQ-UHFFFAOYSA-N 285.309 4.636 30 10 CJEE C=CCC[C@H](C)N(C)CCCCCCCCCCCO 2286779201 HTYFKSQJEPEDET-SFHVURJKSA-N 283.500 4.776 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C[C@]12CCC[C@H]1C2 2289785637 HWWXSDSHMSTELT-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CC(C)(C)CCC2(C)C)C1 2290329031 DDRGVLPYMLDKQT-SWKXRBFHSA-N 297.552 4.869 30 10 CJEE CCCCCCCC1(OCC(=O)O)CC(CC)(CC)C1 2290899769 JRUHTERZNGKAIY-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1C(C)(C)C 2292802674 VNMOKEHGBOUSKC-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CCCCC12CCCC2 2293059346 AEDXGNWREUWIOX-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)c1ccc(C)cc1Cl 2293138031 GYPUPUBCHYQOCS-PBHICJAKSA-N 295.854 4.657 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)C[C@@H](C)CC(C)(C)C1 2293139631 TZUDNASKUZCYPR-XYJFISCASA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@H]1CCCC2(CC2)C1 2294361836 LQQBOKCYVYSDNC-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC12CC2)OCCN 2294499689 GBRCUNFPHWYISW-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(CC)[C@H](C)CC 2295528761 HLFTVBLSMBQNEC-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1C=CCC1 2295682172 NKAFNELUSHVIAH-KURKYZTESA-N 281.484 4.562 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ncc(CC)o1 2295691493 MLMIFBBBEDGMGT-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C)N(C)C1CC1 2295692100 SDVUVOJJHQNMSS-IRXDYDNUSA-N 282.516 4.588 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CC[C@H]1C(F)(F)F 2312193287 PJTXQNUCMZUEJV-JHJVBQTASA-N 265.363 4.523 30 10 CJEE C=CCC(CC=C)NCc1ccc2sccc2c1 2313527438 RNZSVWOVJAZCMH-UHFFFAOYSA-N 257.402 4.512 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC1(C(C)(F)F)CCC1 2321118916 WGAFLJKCIYDPIP-OLZOCXBDSA-N 259.384 4.522 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C2CC2)ccc1Cl 2321216263 DSFRYDDSENIPLB-HNNXBMFYSA-N 264.796 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cscc1C(F)(F)F 2321223968 IZCDCGNKNJNEBM-NEPJUHHUSA-N 278.339 4.793 30 10 CJEE N#CC1(c2cc(Cl)ccc2Cl)CC2(C1)CC2(F)F 2326914535 PTSHVZIIAJBCLI-UHFFFAOYSA-N 288.124 4.574 30 10 CJEE N#CC1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCCC1 2327691391 FFLRYWCFGMOSCE-TXEJJXNPSA-N 259.315 4.829 30 10 CJEE CC(=NOCC1CC1)c1ccc(-c2ccccc2)cc1 2330458973 VPCJTTSQNVYQPC-UHFFFAOYSA-N 265.356 4.504 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 2332713436 PEVKXXYNNPHLOT-RRQGHBQHSA-N 260.421 4.908 30 10 CJEE C[C@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332781296 AHEPIZUSBHQXQV-LEUOFYLZSA-N 256.389 4.576 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2333365160 DYDUDNGFMOAGBD-MWDXBVQZSA-N 267.432 4.629 30 10 CJEE C=C1CC([C@@H](NCCC)C(CC2CC2)CC2CC2)C1 2335151436 WOJBRWPZXQHJOO-GOSISDBHSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)Sc1c(F)cc(CNCCC)cc1F 2335238693 OUXUCAMPLMHQNS-NSHDSACASA-N 285.403 4.521 30 10 CJEE C=C1CC([C@H](NCCC)c2ccc(C)c(CC)c2)C1 2336253735 QGCXZHGHWQDVNS-GOSISDBHSA-N 257.421 4.564 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1 2338748656 ZQDKKQBFUGMZCG-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CCCC12CC2)NCC 2338748701 ZYEDYELAOSVYGT-SJORKVTESA-N 261.453 4.703 30 10 CJEE CCCCCCCCC[C@H](C#C[C@@H]1CC1(C)C)NC 2339570070 UEZPWLQDVMAGGD-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE C=CC1CCN(CCCc2cc(Cl)cc(Cl)c2)CC1 2341136897 JNAOACXNTPVXCS-UHFFFAOYSA-N 298.257 4.824 30 10 CJEE CC1(C)CC[C@H](COC[C@H](CS)c2ccccc2)C1 2341791534 ZOFIRIANAFTCPS-GOEBONIOSA-N 278.461 4.543 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2cc(Cl)ccc2o1 2344342643 AEFKMLICCJKIPU-BDJLRTHQSA-N 277.795 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(CCC)cc1 2344344466 SGFFQAUFAGBFJQ-ROUUACIJSA-N 259.437 4.501 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H](CC)CC(F)(F)F)NCC 2344358140 TXGYSLXOKPHWIP-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1CC12CCC(F)(F)CC2 2344458234 WLDGVXYWWGXDKY-QWHCGFSZSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCCS[C@@](C)(C(=O)O)C1(C)CC1 2351896335 LQANEJQCKNJXQD-INIZCTEOSA-N 284.465 4.890 30 10 CJEE CC(C)(C)C[C@H]1CCN(C[C@@](C)(CS)C(C)(C)C)C1 2352072154 LHRVXQGEYUIPPG-PBHICJAKSA-N 285.541 4.727 30 10 CJEE C=CC[C@H](C)SC1(C(=O)O)CCC(CC)(CC)CC1 2352223434 QZFGXCSKFUXASM-ZDUSSCGKSA-N 284.465 4.888 30 10 CJEE C=C[C@@](C)(CNC)CC1CCC(CC(F)(F)F)CC1 2353134206 UEZCYBUNFBYOEQ-JXQTWKCFSA-N 277.374 4.547 30 10 CJEE CSc1cc(NC[C@@H]2CCCC[C@H]2C)ccc1C#N 2353833946 JLGGCDCUVFTFTN-OCCSQVGLSA-N 274.433 4.518 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1[C@@H](C)N 2355489691 PVELHUQSUDKIPU-XMTFNYHQSA-N 283.500 4.642 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC 2355645889 LJUMAZSKKQWOMN-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@H]1CNC(C)(C)C 2358903540 UPASBPGXWPSPNS-ULQDDVLXSA-N 281.484 4.552 30 10 CJEE C=CCC(CC=C)OCc1ccc(CN[C@H](C)CC)s1 2360220195 RTGBORRXAVDUFQ-CQSZACIVSA-N 293.476 4.674 30 10 CJEE C=CCC(CC=C)SCC(=O)c1cc2ccccc2o1 2360376792 HABNRLPIMXQPIE-UHFFFAOYSA-N 286.396 4.870 30 10 CJEE CCC(C)(C)c1ccc(Oc2ccc(C#N)cc2N)cc1 35674855 BXFMZUPFXSPSJK-UHFFFAOYSA-N 280.371 4.620 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(F)cc1F 37156745 WCASXNHOTLMGAV-MFKMUULPSA-N 267.344 4.529 30 10 CJEE C#Cc1cccc(N[C@H](c2ccc(C)cc2)C2CC2)c1 37185159 OCVLVZKUYVUKHT-LJQANCHMSA-N 261.368 4.540 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(Cl)cc1Cl 37938024 WHOSUKRZAZVQIR-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccccc1C(F)(F)F 37938035 SAXZPPKVCHVRHE-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1Cl 54822999 ZZHLEJDLLYFRGA-IUODEOHRSA-N 262.784 4.533 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1Cl 54824546 DEEODYHLJGGMJW-PWSUYJOCSA-N 283.202 4.878 30 10 CJEE Cc1ccc(C#N)c(N2CCC[C@H](C(C)(C)C)CC2)c1 79343804 KSAZATMASPOSSZ-INIZCTEOSA-N 270.420 4.519 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87930484 JOJUUQUUUHRABL-IUODEOHRSA-N 281.321 4.968 30 10 CJEE CCC1CCC(C#N)(Cc2cccc(Cl)c2)CC1 87933696 PZROFPUMBFNBAB-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE C=CCCC[C@@H](NCCC)C1CCC(C)(C)CC1 87944019 NNEKQMLMRRUHQX-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE N#C[C@@]1(Cc2c(F)cccc2Cl)CCc2ccccc2C1 87998192 YFEFLLVGWRYNMW-SFHVURJKSA-N 299.776 4.720 30 10 CJEE N#CC1(C[C@H]2Cc3ccccc3S2)CCCCC1 92273540 LDRCYOFKXIIUJO-CQSZACIVSA-N 257.402 4.568 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(F)cc1)NC 103946437 YLHYXRNHBRGROC-QGZVFWFLSA-N 265.416 4.707 30 10 CJEE CC[C@H](C)NC1(C#N)CCCCCCCCCCC1 103970925 OVOZSCSRVALONA-INIZCTEOSA-N 264.457 4.942 30 10 CJEE CCCCCCCCCC(=O)Nc1ccccc1[C@@H](C)O 109107301 SAQKRRRFTOYOLZ-OAHLLOKOSA-N 291.435 4.819 30 10 CJEE CCCCCCC[C@H](Cc1ccc(C)cc1)NCC 109739895 ABCZKNKDTVJANN-GOSISDBHSA-N 261.453 4.876 30 10 CJEE C=CCOc1ccc(CNc2c(C)cccc2CC)cc1 109900001 QKNDLHOFGNVFEE-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE CCCCCCC[C@H](Cc1ccsc1)NCC 110329662 HRUCYFPKCBZGGT-OAHLLOKOSA-N 253.455 4.629 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](OC)C(C)C 122703238 MAQMMZOAXHBWJN-HOTGVXAUSA-N 258.446 4.549 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1n1c(S)nc2c(C#N)cccc21 126110775 OEKJORBIYCCATL-UONOGXRCSA-N 299.443 4.584 30 10 CJEE CCC(CC)[C@@H](C)Nc1cccc(SC)c1C#N 127057692 DQXJYRRVSYURES-LLVKDONJSA-N 262.422 4.517 30 10 CJEE CCCCCCCC(=O)[C@H](C)C(=O)c1ccccc1F 127387724 ZAUASQAZJPMZFJ-ZDUSSCGKSA-N 278.367 4.574 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@H](O)C1(C)C 128530120 PAMHBTRKNDCYPP-SJORKVTESA-N 283.500 4.656 30 10 CJEE CCCCCCCCCCNc1cccc(NC)n1 128609265 SSXIRMKQGBOEMI-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE CCCCCCCCCCCC[C@@H](C[C@H](C)OC)NN 130764764 QLOLBDYPTPYDAC-IRXDYDNUSA-N 286.504 4.554 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](OCC)C(C)(C)C 131489395 UYVSXWQNQNZTPE-HUUCEWRRSA-N 257.462 4.516 30 10 CJEE N#Cc1cc(F)c(Sc2cccc(Cl)c2)c(F)c1 134036343 KESUUWXTURLWNX-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCN(CCCC)c1cccc(SC)c1C#N 136619527 VWRWUHIODQVHMT-UHFFFAOYSA-N 276.449 4.687 30 10 CJEE CCSc1cccc(N(C)c2ccccc2C)c1C#N 136655168 BJACYDLVWCPGJD-UHFFFAOYSA-N 282.412 4.747 30 10 CJEE CCSc1cccc(O[C@@H]2CCC[C@H](C)C2)c1C#N 136710140 WTSFCDNXJAUTJL-QWHCGFSZSA-N 275.417 4.628 30 10 CJEE CSc1cccc(SC2CCCCC2)c1C#N 136993438 ASNCGRMHYZHMMV-UHFFFAOYSA-N 263.431 4.705 30 10 CJEE CCCCCCCCCCCCCCOC(=O)COC 140239230 JJYLKSSFYFVNAF-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE in-vitro CCCCCCCC[C@@H](N)Cc1cccc(F)c1F 148695012 GQXBENZSTKMQSU-CQSZACIVSA-N 269.379 4.585 30 10 CJEE C[C@@H](N[C@@H](CC#N)c1ccccc1)C1CCCCCC1 150312863 QBAQWJBUOBWARJ-QAPCUYQASA-N 270.420 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCCCS1 160882491 WLAJOXXQJDCTMY-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 162626998 UAILJJFHMVFPDI-CABCVRRESA-N 277.411 4.873 30 10 CJEE N#Cc1ccc(CSc2ccc(F)cc2F)c(Cl)c1 163428003 HXQFJLLARUAKGL-UHFFFAOYSA-N 295.741 4.782 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccnn1CC 165610185 YCFJTTQFFJDXFA-INIZCTEOSA-N 279.472 4.694 30 10 CJEE Fc1ccc(-c2ccc(C#Cc3ccccc3)s2)cc1 197005142 LLZDGFDFUJGLTB-UHFFFAOYSA-N 278.351 4.954 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CCCCCC 218551937 ZABBLCWQAAYJIU-DLBZAZTESA-N 271.489 4.786 30 10 CJEE C=CCC[C@@H](C)N[C@H]1CCSc2ccc(Cl)cc21 228821748 NWSDIHANFXYAOK-RISCZKNCSA-N 281.852 4.821 30 10 CJEE CCCCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1C 250830505 QVCFUIDUOZHVSE-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE Cc1cc(C)cc(N=Cc2ccc(OC3CSC3)cc2)c1 254837424 AHFDYHWNGLEMPQ-UHFFFAOYSA-N 297.423 4.548 30 10 CJEE CC(C)n1cc([C@H](C)C#N)c2cc(C(F)(F)F)ccc21 260083711 QNNUUTIVZCOPDD-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE N#CC[C@@H](c1cc(Cl)ccc1Br)C1CC1 260217827 IRHBTRQPAQVBON-SNVBAGLBSA-N 284.584 4.510 30 10 CJEE Cc1ccc(CC(C)(C)C#N)cc1OCc1ccccc1 260593375 QIJBNUOLYIFQDR-UHFFFAOYSA-N 279.383 4.666 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCCC(F)(F)C1 302390743 PIUPNOXQZIAGIE-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCOC[C@H]1C 305948234 HYQAHXFAXQONAI-HZPDHXFCSA-N 268.441 4.759 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CCCC(F)(F)C2)C1 306040303 TXUSTNZELHQMDX-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC(=O)CCC1CCOCC1 311110661 WNWKTILTTFGHBM-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC/C=C/c1ccccc1 317190488 KEUHRKSLOQQVJP-ZASXKKGWSA-N 256.389 4.875 30 10 CJEE C=C[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317774343 CXMYBVRJGRNZHU-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)Sc1cccc(Cl)c1 319662604 FXPABZBJAKHFAX-GXFFZTMASA-N 253.798 4.616 30 10 CJEE CSCCCSc1ccc(C#N)c2ccccc12 319915953 MJXIYTAOKVSTHN-UHFFFAOYSA-N 273.426 4.557 30 10 CJEE CO[C@](C)(C[C@@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 384928263 PXCWMVCJWMEDLN-KBAYOESNSA-N 271.404 4.658 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCSc2ccc(Cl)cc21 385253632 XJZGERVSHZEJQO-CYBMUJFWSA-N 281.852 4.679 30 10 CJEE C=C(COCCC)[C@@H](NCCC)C1CCC(CC)CC1 387584008 QPYFQRIGHOMOSK-DAWZGUTISA-N 281.484 4.554 30 10 CJEE N#CCc1c(Cl)sc2cc(C(F)F)ccc12 396191805 PZZPXQKYXJHDKS-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC[C@](C#N)(Nc1cccc(C)c1)[C@@H]1CC1(C)C 397683287 KVSFVEKPXUAKDR-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCCCN[C@H](C)c1ncon1 397864940 FUWZKZLWEAINJG-OAHLLOKOSA-N 281.444 4.641 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1csc(Cl)c1 398060504 HBADSMIDCWWXFX-GHMZBOCLSA-N 257.830 4.797 30 10 CJEE N#CCc1cccnc1-c1c(Cl)ccc(Cl)c1Cl 514263600 KZKNEXUXCBQYAU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC[C@H](N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 575244943 RZTWNWSRUDTRIT-INIZCTEOSA-N 289.463 4.953 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@@H](CCC)CC1 686683736 NSXQKUNONLKYFI-IAGOWNOFSA-N 250.426 4.682 30 10 CJEE CCCCCCCCC[C@H](N)C1C[C@H]2[C@H](C1)C2(F)F 693306196 KSYHHUUUZWQSHE-KKUMJFAQSA-N 273.411 4.746 30 10 CJEE Cc1ccc(C#N)cc1NCc1cc2cscc2s1 693995321 VEOPADGTHMAAAA-UHFFFAOYSA-N 284.409 4.755 30 10 CJEE CCCCCCC[C@H](NC)c1csc(C(C)C)n1 695423279 MDDZJNMVWUFHNC-ZDUSSCGKSA-N 268.470 4.888 30 10 CJEE Cc1c(N[C@@H](C)CC(C)(C)C#N)cccc1C(F)(F)F 695791032 LREHOTQAQVYKSN-JTQLQIEISA-N 284.325 4.754 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](CC)CN 696168645 GQEJZOWMNVQLLL-DLBZAZTESA-N 271.489 4.643 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCC[C@H]3CC)C[C@@H](C1)C2 697305141 SWXHRDAHFKCZCB-YUGHNKOSSA-N 261.453 4.680 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C(C#N)(C(C)C)C(C)C 698453313 UGHLNDSOUFPUAG-CQSZACIVSA-N 296.455 4.596 30 10 CJEE CCC[C@@H]1CCCCN([C@@H]2C[C@@H](CC)CC[C@@H]2C#N)C1 703253510 CZVLWKWSUNUMQR-BSDSXHPESA-N 276.468 4.607 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCC23CCCCC3)C1 703654007 OEXFWNPDYOMZKJ-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)COC[C@@H]1C 704863907 DWBRLIFXWNXUOL-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCSCC1 709597243 STINDHCTVQQHAQ-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(Cl)c1C 710641220 MNOPVPSAYSDDJS-CQSZACIVSA-N 272.219 4.832 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CC(C)(C)CC[C@H]1C 713084542 UEQDPXKROCLZMR-BDJLRTHQSA-N 274.383 4.633 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C(C)(C)C)cc1 715796140 OGVZLVYBSDBGER-YOEHRIQHSA-N 259.437 4.847 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2c(s1)CCCCC2 715812759 HUGGHIDPWFLZRM-SUMWQHHRSA-N 277.477 4.880 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716464738 PXCLQUQRJQQWQM-JJTUDDRGSA-N 251.458 4.747 30 10 CJEE C=C(Cl)C[C@H](NCC)c1csc(C(F)(F)F)c1 718672236 NPPXPGSAIHDIRQ-VIFPVBQESA-N 283.746 4.560 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@@H](SCC(C)(C)C(C)C)C1 718870248 PXCDZUUWFULOII-WBVHZDCISA-N 296.524 4.605 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc3c(c2)CCC3)CC1 724451251 IMODRXTXSDRWCE-OAHLLOKOSA-N 269.432 4.572 30 10 CJEE CCCCCCCCC(=O)c1ccnn1C1CCC1 724483594 BLPUWDKUOUTFAZ-UHFFFAOYSA-N 262.397 4.541 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cccc(C)c2)CC1 724576070 SBYBNEQNMJCDGU-GOSISDBHSA-N 257.421 4.782 30 10 CJEE CSc1c(C(F)F)sc2c(CC#N)cccc12 725296433 XRWDJVAWYITCCB-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C=C[C@@H](OC(=O)c1cc(C(C)C)oc1C)c1ccccc1 1130934427 MNBOKOAGMUDADF-MRXNPFEDSA-N 284.355 4.796 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(Cl)ccc1OCCC 1141873808 KRQIADXNJDKRRZ-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=CC(C)(C)NCc1ccc(Oc2ccc(OC)cc2)cc1 1179759302 YVUKNVBCDGKAAF-UHFFFAOYSA-N 297.398 4.542 30 10 CJEE C=CCCCCN(CCc1ccccc1)c1ccc(O)cc1 1191880210 BGEBUATYLNVBLU-UHFFFAOYSA-N 295.426 4.798 30 10 CJEE C=CCCCCN1CC(C)(C)c2c(Cl)cccc21 1192052812 LKAWCTGDIYSTKU-UHFFFAOYSA-N 263.812 4.794 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1c1cc(C)on1 1201839752 QVGJOOBWQMLBLZ-QGZVFWFLSA-N 278.440 4.871 30 10 CJEE C=CCCCCCCCN1CCCC(F)(F)CC1 1209438901 XJLRHIFXTUMODQ-UHFFFAOYSA-N 259.384 4.634 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2C)c1 1210293148 XXFUSFZKIYYYJG-ZBFHGGJFSA-N 286.419 4.668 30 10 CJEE C=CCC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 1266421500 OHIUMVRGIFITHU-QGZVFWFLSA-N 299.801 4.777 30 10 CJEE C=CC[C@H](CC)NC1CCC(c2ccc(OC)cc2)CC1 1308722092 GCGFGPXJEOFAPL-NXYGQSRBSA-N 287.447 4.666 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)CCCC(C)C)c1ccccc1 1350054010 PSHJUQRSAZASLU-IAGOWNOFSA-N 287.447 4.677 30 10 CJEE C#CCCCCC(=O)OCc1ccc(C(C)(C)CC)cc1 1435686455 IGPNAFVVCNOELX-UHFFFAOYSA-N 286.415 4.611 30 10 CJEE C=C(CC)CSC1CCC(C(F)(F)F)CC1 1459076101 QQSYTEZTULLDDY-UHFFFAOYSA-N 252.345 4.807 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCC(C)(C)C[C@H]2C)c1 1461269400 QKJKABIPFPBJNW-QAPCUYQASA-N 287.447 4.556 30 10 CJEE C=CCC1(NC(=O)c2ccc(C)c(C)c2Cl)CCCC1 1461604701 HXCNGMPVULCQIG-UHFFFAOYSA-N 291.822 4.576 30 10 CJEE C=CCCC[C@@H](NCc1ccoc1C)c1ccccc1 1461722786 UMOOZEPBUDWNCK-GOSISDBHSA-N 269.388 4.775 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CCN(CC)[C@@H](C)C1 1473210071 BXZSRNCZAIIHHO-ZWKOTPCHSA-N 282.516 4.542 30 10 CJEE C#Cc1cccc(N(CC)CC/C=C\c2ccccc2)c1 1473280032 WHQYBFHUERTMGV-JYRVWZFOSA-N 275.395 4.598 30 10 CJEE C=CC[C@@H]1CCCN(CCCc2ccccc2Cl)C1 1473627966 WEOGXFVMJZCKIY-OAHLLOKOSA-N 277.839 4.561 30 10 CJEE C#Cc1ccc(CN2CC(CC)(CC)c3ccccc32)cc1 1474431665 LYTAFFITADYVOW-UHFFFAOYSA-N 289.422 4.746 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)CC1CCCC1 1521556979 SQZIGWMYSIICMJ-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE C=CCC[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1534344801 VKXWRPZWRBQSCS-BXWFABGCSA-N 299.458 4.882 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc([C@H](C)CC)cc1 1534975159 PJOQAXCCRPQMOH-OAHLLOKOSA-N 287.447 4.922 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](c1ccccc1)C(F)(F)F 1535087321 UCBKAVADHXMEFS-AWEZNQCLSA-N 298.304 4.602 30 10 CJEE C=C(C)CCN(CCC)[C@@H]1C[C@H](OCC)C12CCCCC2 1559573538 HEWLDFUPCLTJNN-MSOLQXFVSA-N 293.495 4.793 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(C)cc2C)CCCC1 1586149228 GIPIYIPLBDQDNN-UHFFFAOYSA-N 285.431 4.560 30 10 CJEE CCOc1ccc(C#Cc2cccc(Cl)c2Cl)cc1 1614826025 GIIOVTBRDHLADK-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc2ccccc2c1 1622852244 QWMMOMPFSHNNTI-CQSZACIVSA-N 282.387 4.706 30 10 CJEE C#CCCCCCCSC[C@@H]1CC[C@H]2C[C@@H]2C1 1644122704 KKIJRJOTLJXDEB-PMPSAXMXSA-N 250.451 4.740 30 10 CJEE C=CCCCCCN(C)[C@H]1C[C@H](OCC)C12CCCCC2 1644723221 RKWCAKXVHLOCBT-ROUUACIJSA-N 293.495 4.793 30 10 CJEE CC#CCN(C)[C@@H](c1ccc(Cl)cc1)C(CC)CC 1645473006 SNSBGJHURQEEGY-QGZVFWFLSA-N 277.839 4.772 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 1652683779 AQQWLMBRJAMMSD-HNAYVOBHSA-N 282.431 4.660 30 10 CJEE C=C(CC)CN(Cc1ccco1)c1ccc(Cl)cc1 1652792088 SACUBNYNARJJMD-UHFFFAOYSA-N 275.779 4.906 30 10 CJEE C=CCC[C@H](NCc1ccc(OCC)cc1)c1ccccc1 1657607413 UZBQSVJRZIHRKW-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2C[C@H](Sc3ccccc3)C2)C1 1657760675 GQCKKQRUGDMMKW-KYHPRHEASA-N 287.472 4.644 30 10 CJEE C=CCC1(CNC/C=C/c2ccc(F)c(F)c2)CCCC1 1662447344 UOSLZKBYOUDLKF-AATRIKPKSA-N 291.385 4.704 30 10 CJEE C=C1CC([C@H](CC2CCC(CCC)CC2)NCC)C1 1878288358 LKRZDCUYPNAYGH-HTWSVDAQSA-N 263.469 4.927 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@H](CC(C)(C)C)CS1 1879336548 NMLOIYORWGUMCR-ZIAGYGMSSA-N 284.513 4.843 30 10 CJEE CC#CCCC[C@H](NCCC)c1c(C)cccc1C 1879642981 DQNPBYIKWFBJBA-KRWDZBQOSA-N 257.421 4.538 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H](C)CC(F)(F)F 1883422551 XBCQFHUBEWIHGD-AWEZNQCLSA-N 285.353 4.653 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCC[C@H](C)CC1 1885238394 UKDROPNZBHBBFL-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCCCCCN(C)C[C@@H](CS)c1ccccc1 1887048174 LZEKAUMDUJNWPR-KRWDZBQOSA-N 279.493 4.602 30 10 CJEE C#CC[C@@H](C)C[C@@H](O)C1CCC(CCCCC)CC1 1887103665 SFTKRBUACDINPW-AQEOSJORSA-N 264.453 4.784 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1c(C)cccc1F 1887322119 KYDKKLRYPVJFRG-YOEHRIQHSA-N 263.400 4.777 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@H]1CCC[C@H](CC)C1 1887452410 KVJZTIXXTVXOGD-XSLAGTTESA-N 263.469 4.621 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@](C)(F)C2)CC1 1898608287 PRTJZYBFUSZQBK-BRWVUGGUSA-N 267.432 4.629 30 10 CJEE C=C(COCc1ccccc1)[C@H](O)CC[C@@H](C)CCCC 1906718884 RZGXEPNAOMPZTK-QFBILLFUSA-N 290.447 4.727 30 10 CJEE SCC=CCOc1c(Cl)cc(Cl)cc1Cl 1911558641 VUWFBUHMWSRASI-UHFFFAOYSA-N 283.607 4.512 30 10 CJEE CCCCCCC[C@@](C)(Oc1cccc(Cl)c1)C(=O)O 1912218141 UUVWTKIQHWAKHF-MRXNPFEDSA-N 298.810 4.923 30 10 CJEE CCCCCCC[C@@](C)(Oc1ccccc1C)C(=O)O 1912261554 HWLRUMAVDCMUTK-QGZVFWFLSA-N 278.392 4.578 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](N)CC)cc1 1914952487 LDPALLBQSBIDJE-FQEVSTJZSA-N 294.442 4.679 30 10 CJEE CCCCCCC[C@@](C)(OC[C@H](C)CCC)C(=O)O 1919005506 VHDNHVQAYALKAZ-GDBMZVCRSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 1919874050 JKFXVYCDCWIVSX-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CCC(C)(C)C)NCC 1921158089 MJEUCLYXRJZMRQ-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2OCCCC2(C)C)CC1 1923773266 UPHGNYIPUVOYNL-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE C=C(C)CC[C@H](C)n1c(S)nc2cc(C)c(C)cc21 1925033047 GOKRUJDIISHETK-ZDUSSCGKSA-N 274.433 4.859 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@H](C)NC 1926930808 FZQARDZJLSGMSL-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)[C@H]1CCCCC[C@@H]1C#N 1927741671 AEESPJAYJPQJGP-UHOSZYNNSA-N 284.447 4.760 30 10 CJEE CCCC1CCC([C@](C)(C#N)NCc2ccccc2)CC1 1956622853 QQAWHOXZEOASSD-KVZIAJEVSA-N 284.447 4.665 30 10 CJEE CC1(C)CCC[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 1970086628 RQANLNNULZKVTG-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE CCCC(C)(C)CNc1cc(Br)ccc1C#N 1973170818 LTQPZMJXJOBCJN-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCC[C@](C#N)(CC)Cc1ccc(Br)o1 1978654705 OEYQEEBCLYJNIB-CYBMUJFWSA-N 284.197 4.695 30 10 CJEE CC#CCCCC[C@H](N)c1scc(Cl)c1Cl 1990958610 PPFIRRVJGHLMFI-JTQLQIEISA-N 276.232 4.638 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1cc(Cl)c(Cl)s1 1999904056 LNWBPHDTEWDDCN-UHFFFAOYSA-N 297.153 4.983 30 10 CJEE CCCCCCCC[C@H](O)[C@@](C)(F)C(C)(C)F 2003235494 VPLSOIFJIQNUST-GXTWGEPZSA-N 250.373 4.574 30 10 CJEE C=CCCCC[C@H](CS[C@@H](C)CC)NCCC 2009490050 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2353116849 CMKCKSMSNOLPMX-GOSISDBHSA-N 259.437 4.950 30 10 CJEE CSc1cc(Nc2ccc(C)c(C)c2)ccc1C#N 2353835217 KTZUNSKWSAUYDI-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CCCCCCCCCCO[C@]1(C)C[C@@H]2C[C@H]1C[C@H]2N 2355703838 JODIJDIFJMGOOT-WNRNVDISSA-N 281.484 4.660 30 10 CJEE N#C[C@@]1(C[C@@]23CCC[C@@H]2CC3)CCOC12CCCCC2 2359798173 GRQXBUCUXQDYPY-IKGGRYGDSA-N 273.420 4.590 30 10 CJEE C=CCCCOc1ccc(-c2ccc(C#N)cc2)cc1 2576339 LKLZBOOELADPHC-UHFFFAOYSA-N 263.340 4.570 30 10 CJEE Oc1ccc(/N=C/c2cccc(-c3ccccc3)c2)cc1 8519008 UJEUJBFZVITOFZ-XSFVSMFZSA-N 273.335 4.810 30 10 CJEE Cc1cccc(C(C)(C)C)c1OCc1ccccc1C#N 11834136 WPSRAMFQQTWJAR-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccccc1OC(F)F 52859563 WVILTUKBENCWOS-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE CC(C)c1cccc(N[C@@H](CC#N)c2ccccc2)c1 55016173 PENDLUCJPVQLKO-SFHVURJKSA-N 264.372 4.877 30 10 CJEE N#C[C@H](Cc1ccccc1F)c1c(Cl)cccc1Cl 57740893 CXHOPXYPMVHGDE-NSHDSACASA-N 294.156 4.982 30 10 CJEE C=CCCC[C@H](NCCC)c1cc2ccccc2o1 71277533 AAECLVALTOHDCL-HNNXBMFYSA-N 257.377 4.830 30 10 CJEE CCSc1ccc(CCCNc2cccc(C#N)c2)cc1 76301177 OPQAQLCTFZBVIG-UHFFFAOYSA-N 296.439 4.715 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccccc1N 88379345 WSESRLFMLQOILN-IBGZPJMESA-N 281.465 4.517 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@H](C)C[C@@H]2C)CC1 91887344 UOTGGTMWBUKMDN-QOCJCZBQSA-N 277.452 4.674 30 10 CJEE CO[C@@H]1CCC[C@H](OCCCCCCCCCS)C1 97799799 ZCTPWCWQLPHJLQ-CVEARBPZSA-N 288.497 4.621 30 10 CJEE CC1(C)CCC(C#N)(Cc2cc(F)cc(F)c2)CC1 97920660 USMOCCXGIJHHSL-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccccc1Cl 103997138 OVKTYEGYFQJNTM-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCCCN1C(=O)[C@H](CC)Nc2cc(C)ccc21 106593946 FQZSUVHUKJSGQL-HNNXBMFYSA-N 288.435 4.503 30 10 CJEE C=CCCc1cc(Cl)cc(Cl)c1OCCC 107657058 HJUJRNAEHORGIV-UHFFFAOYSA-N 259.176 4.901 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)[C@H](Nc1cc(Cl)ccc1C#N)C2 109788203 AIVLWZYPIRGOKW-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE CCCCCCCCO[C@H](c1ccccc1F)[C@H](C)N 109988713 CPXXKKFAGKGGLT-YOEHRIQHSA-N 281.415 4.591 30 10 CJEE CCCCCCCCCCN(CCO)C1CCCCC1 110050951 HQMDZTZEZNDERE-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCCCCCCCOCCN[C@@H]1CCCC[C@H]1C 110239544 FBHANTLJDMPSDJ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCOc1cc(C)ccc1[C@@H](C)NC 111762347 PXPYCZZDZOBIKW-OAHLLOKOSA-N 263.425 4.625 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc2nccnc2c1 112646188 XTYPWWMZSMDHSZ-INIZCTEOSA-N 285.435 4.641 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@H](C(C)C)CC1 112757090 YKCQTNGZMFVDGR-OALUTQOASA-N 296.543 4.822 30 10 CJEE CCCCCCCCCCn1cc(CNC(C)C)c(C)n1 112932818 DWGKOFWNFRDMBB-UHFFFAOYSA-N 293.499 4.830 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](CC)c1nccs1 112976558 QISHBCFIHVOEKX-KGLIPLIRSA-N 268.470 4.933 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1nccs1 112977761 IFJKNEJDALRJGG-QWHCGFSZSA-N 254.443 4.543 30 10 CJEE CCCCCCCCC(=O)C1(N(C)C)CCCCCC1 118186195 UAKDWNNAGJNWHV-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](OC)C(C)C 122702736 MAQMMZOAXHBWJN-JKSUJKDBSA-N 258.446 4.549 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncccc1CC 127209310 WCOYHXYSMVGFTM-MRXNPFEDSA-N 262.441 4.655 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@H]1CCCCN1 129265034 NBELVKMTRXLLLD-QZTJIDSGSA-N 282.516 4.637 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)ccc1Cl 130870875 NJSMUHZHIBBGQR-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@H](NN)C(CC)(CC)OCC 130971224 VVKZQKNLSSNVEB-INIZCTEOSA-N 286.504 4.554 30 10 CJEE CCCCCCCCNc1nnc(Cl)c(C)c1C 147274421 OMQPMJGNCALJFR-UHFFFAOYSA-N 269.820 4.519 30 10 CJEE CCCCCCCCCN1CCC[C@H]([C@@H](C)CC(=O)O)C1 155850917 PMPICPIDRGPYPY-IRXDYDNUSA-N 297.483 4.560 30 10 CJEE CCCCCCCCC(=O)C[C@H]1CNc2ccccc21 158016974 FFVPFKNKQZNNDB-HNNXBMFYSA-N 273.420 4.906 30 10 CJEE C=C(C)CC[C@H](NC)C1CCC(C(C)(C)C)CC1 159198653 LPVWCAAXLIUCJL-GPANFISMSA-N 251.458 4.783 30 10 CJEE CCCCN(c1ccccc1)c1ccc(C#N)c(F)c1 160510340 VMIDHRQISABLOJ-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE C=C(C)CC[C@@H]1CCCCC[C@H]1CNCC(C)C 164930568 VIRVTKZGKOMGNM-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@]1(C#N)CCC[C@H](C)C1 165725471 OAGVJUOGJLJAOC-JKSUJKDBSA-N 265.441 4.530 30 10 CJEE CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(F)c1 166472356 PCPXJMLUJVBKDI-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCC(=O)c1cccc(N)c1 166615885 PDUWPONQFDHRNR-UHFFFAOYSA-N 261.409 4.982 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F 168249788 ANXDKNIHNCSYCP-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccnc2ccccc12 229597592 YQIRBZULYKKWEM-KRWDZBQOSA-N 284.447 4.855 30 10 CJEE CCCc1ccccc1NCCCCC(C)(C)C#N 233397410 RHTLSZXQGKKUJG-UHFFFAOYSA-N 258.409 4.771 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@](C)(CC)N(CC)CC 233606404 LQKJGXHDKOINHR-MSOLQXFVSA-N 282.516 4.612 30 10 CJEE N#CC1([C@H](O)c2ccc(F)cc2Cl)CCCCCCC1 236559182 FBDKTNIEYCSSPA-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCC(C)(C)N(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 251257491 KVUSBBJSXVBELX-OKZBNKHCSA-N 284.447 4.583 30 10 CJEE Cc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1 252462801 WKVPSBCDTHXSLP-UHFFFAOYSA-N 280.396 4.558 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 252898254 FOPVZXWCPRGJOS-ADHGMGHFSA-N 283.500 4.775 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCCC(F)(F)C1 311160479 KIUMFCPGHDZJFV-HIFRSBDPSA-N 273.411 4.782 30 10 CJEE CCCCCCCCCC(=O)c1cc(C)ns1 312046173 VEHLIOSMUMPONJ-UHFFFAOYSA-N 253.411 4.775 30 10 CJEE CC(C)(C)c1csc(CC2(C=O)CCCCCCC2)n1 316785405 WGYSIUIJBYRBHT-UHFFFAOYSA-N 293.476 4.913 30 10 CJEE CC(C)C1CCC(C=O)(Cc2csc(Cl)c2)CC1 317252315 DNGNKOGOBQNXHW-UHFFFAOYSA-N 284.852 4.976 30 10 CJEE C=CCCC[C@@]1(CNCCC)CCc2ccccc2C1 317348270 CCCIJJXADVUKFO-LJQANCHMSA-N 271.448 4.518 30 10 CJEE CC1(C)CCC(C=O)(Cc2c(F)cccc2Cl)CC1 318908925 LIMNTSCJFUCWIL-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC(F)(F)C2)CCCc2ccccc21 379437909 YWFMNJSWNLGKPH-BBRMVZONSA-N 275.342 4.610 30 10 CJEE C=CCCCCC[C@H](NC)c1cnc2ccccc2c1 383287340 UPUYEMIFNLNTFA-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@@H](OCC(C)C)C1(C)C 383651784 OFWBSTALUWJXSN-IAGOWNOFSA-N 281.484 4.552 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@@H](C(C)(C)C)CCS1 386377704 RCOPVRMRHNOTBO-CHWSQXEVSA-N 284.513 4.698 30 10 CJEE C=C(C)CCNCc1c(CCCC)oc2ccccc12 387380179 JDKZMCWRZPOFBH-UHFFFAOYSA-N 271.404 4.831 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(Cl)ccc1C 388929986 SGJKVPPHPNAXRT-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE C=CC[C@H](CC)N[C@@H](c1cccs1)C1CCCC1 393830024 UWUDTJQCIUSAHC-GOEBONIOSA-N 263.450 4.924 30 10 CJEE N#CCc1cc(Cl)cc2sc(C(F)F)cc12 396189987 MTEFJEUGOKQMCF-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)c1ccccc1NC[C@@H](C#N)C1CCCCC1 397233601 WSDQRFNARWRWRK-MRXNPFEDSA-N 270.420 4.942 30 10 CJEE CC(C)(C)[C@H](C#N)CSCc1ccccc1Cl 397508447 IRJZCAJQTZEINM-GFCCVEGCSA-N 267.825 4.759 30 10 CJEE C=C[C@H](C)ONC1CCCCCCCCCCC1 400836859 LBFDICTZSLEFGL-HNNXBMFYSA-N 253.430 4.755 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1CCOC1)NCCC 400963104 NKCVCVCFJLCBLC-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC[C@H](CC1(COC)CC1)NC 401243952 JYFYIWVEWLHXCO-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCC1CCC(C=O)(C[C@H]2C[C@H]3C=C[C@H]2CC3)CC1 402402020 PWVGBORXTVDLPF-NNCLKIPCSA-N 260.421 4.764 30 10 CJEE CC(C)=CCC[C@@H](C)CCNCC1CCC(C#N)CC1 443065584 QQJSJJJWPHHFTM-WWDZGPRUSA-N 276.468 4.679 30 10 CJEE CCCCCCC[S@@](=O)Cc1ccc(Cl)cc1F 526913697 XBZUYKHVEOGIST-GOSISDBHSA-N 290.831 4.698 30 10 CJEE Fc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 575339962 ZROWVNAZTMXYTH-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE Cc1cc(C(F)(F)F)cc(C(F)F)c1OC(F)F 575664569 IHLISAJPCGHQCW-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CC(C)c1ccc(C#CCCCCCO)c(C(C)C)c1 686291404 RXNUPXIBUWEZMJ-UHFFFAOYSA-N 272.432 4.838 30 10 CJEE C#CCCCCC[C@H](N)C1CC(C)(C)CC(C)(C)C1 686702917 RMCAQLMNFYZVKO-INIZCTEOSA-N 263.469 4.750 30 10 CJEE C=C(Cl)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692391245 ZADOGLOYZOUXLC-ZETCQYMHSA-N 282.573 4.536 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCCC[C@@H]2C2CC2)c1 696140857 BDCRCZNOSOMVOK-UKRRQHHQSA-N 274.795 4.592 30 10 CJEE CN([C@H]1CCCCC[C@@H]1C#N)[C@@H]1CCCC(C)(C)CC1 697844569 REQBJJIXVUSWAI-ZACQAIPSSA-N 276.468 4.750 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@H](C)N)cc2Cl)C1 703690260 MOZKPFCFLWJFDH-KBPBESRZSA-N 292.854 4.542 30 10 CJEE CCCCCCCn1c(CCC)nc2cc(N)ccc21 703781817 ARSDVQAYLZQOAM-UHFFFAOYSA-N 273.424 4.541 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCC[C@H](OC)C1 704894246 GFGRVGSXEVPKHA-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)SC1CCCCC1 704910974 XDKXZWAJFXTQEH-YUELXQCFSA-N 251.439 4.771 30 10 CJEE CCCCCCCNc1nc(C2CC2)nc(Cl)c1C 705933868 KXYDQQMMIAYRSL-UHFFFAOYSA-N 281.831 4.698 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708028419 BCSXRNUCWUZLNZ-ZWNOBZJWSA-N 255.283 4.749 30 10 CJEE CSc1cccc(N2CCC[C@@H](C(C)(C)C)C2)c1C#N 708501111 BAWFCQRRRSHWNS-CYBMUJFWSA-N 288.460 4.543 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cscc1Cl 711527988 DUOCBYHBXHUGOW-ZDUSSCGKSA-N 257.830 4.799 30 10 CJEE Cc1cccc(N=C2NC3(CCCCCC3)CS2)c1C 713201379 BZJANKZETLECPC-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE Cc1cc(N=C2NC3(CCCCCCC3)CS2)cs1 713284701 MIRZTNBBHPNAGT-UHFFFAOYSA-N 294.489 4.864 30 10 CJEE 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FEOJXGJMJSEZLD-UHFFFAOYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@]1(C)C[C@@H]1C)OCCN 2276169998 JMNNOHPIESTCBB-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C(C)(C)CC 2278232926 BOBRFVYHCFWHJY-RDJZCZTQSA-N 271.489 4.642 30 10 CJEE CC=C(CC)[C@@H](N)[C@](C)(O)CCCCCCCCC 2278233661 FARAEUHEPQABOX-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(OC)CCC1 2278241431 UUUTYQNYLKVKFR-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@]1(C)CCCO1 2278247032 SYWZUEDMTIHLJL-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NC(C)C)C1 2278317104 FWSLGRCRYLTAHH-HZPDHXFCSA-N 282.497 4.503 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(CCC)NCC 2278317143 GDDVHZLESPXIDV-CVEARBPZSA-N 284.513 4.608 30 10 CJEE C=CCCCCCCCCC(=O)C1(OC)CC(CF)C1 2281162001 RMNXKXMLNJGBAO-UHFFFAOYSA-N 284.415 4.627 30 10 CJEE Cc1ccc(Cl)c([C@@H](O)[C@]2(C#N)CCCCC23CC3)c1 2283381616 QXOGTMOSXKBQSF-NVXWUHKLSA-N 289.806 4.546 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1ccc(Cl)cc1CC 2283849629 DYJWQKJVHALPPC-IAGOWNOFSA-N 297.870 4.624 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSC[C@H]1CC[C@@H](C)C1 2284037749 GUQODZFVBHYMAQ-IXDOHACOSA-N 296.524 4.606 30 10 CJEE CC(C)(C)C#CC=CCN[C@H]1C[C@H]1C1CCCCCC1 2284101377 RHLVBTAZKPCJQC-ROUUACIJSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cccc(C2CC2)c1 2284135110 LPUUPMGXKXPSJT-SFHVURJKSA-N 268.400 4.593 30 10 CJEE C=CCCSC[C@H](NCC)c1ccc(CC(C)C)cc1 2287196176 UJZWBWPLQJGKQL-SFHVURJKSA-N 291.504 4.845 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1ccc(C(C)C)cc1 2289701702 AEGCYYVQZJLVAY-IBGZPJMESA-N 269.432 4.654 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)CCC1CCCCC1 2289776134 BNCPAARBRDXDOF-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C[C@H]1CCC12CCC2 2289855677 UQJZTHMWMJMTQN-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CC[C@H](C)[C@@H]1CNC(=NCC2CC(CC(C)(C)C)C2)S1 2290033964 RXLGARAHRXQWIM-PPWQZUPISA-N 296.524 4.556 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1cc(C)sc1C 2290918867 UPSNWZMKXWTWRQ-HNNXBMFYSA-N 298.448 4.868 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)c1cc(C)cs1 2290987356 HFTHRAHQUMCNFS-INIZCTEOSA-N 298.448 4.733 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCC12CCCC2 2292884317 FGIJBLYXKTXRBI-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@]1(C)C[C@H]1C 2293995909 ZREZYKZXWCXVRV-FGTMMUONSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccncc1Cl 2294352594 WTCCXSSCTVSKIN-INIZCTEOSA-N 298.858 4.502 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)c1ccoc1 2294462472 XRYGGKNJTWUYBG-QGZVFWFLSA-N 281.440 4.611 30 10 CJEE N#Cc1sccc1CN1CCCC2(CCCCC2)CC1 2294715703 UUYUULYJYULAOY-UHFFFAOYSA-N 288.460 4.556 30 10 CJEE CC(C)CCN(CC(C)C)C[C@@H](C#N)C1CCCCC1 2294749770 WUAGMKFDBMQGCH-GOSISDBHSA-N 278.484 4.711 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)CC[C@H](N)C(C)C 2295535155 ZMIRNQMJNQHMKT-MSOLQXFVSA-N 284.532 4.821 30 10 CJEE C=CCCCC[C@H](N)[C@](C)(O)CCCCCCCCC 2295674538 RZWZKXNJUKUTST-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1OCC[C@@H]1C 2295677578 CZQAXIXVCODGLW-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@H]1CC 2295679041 LYIRYRSRAVXDJO-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1cn(C)cn1 2295688375 DWUCLPIGVUENHI-JKSUJKDBSA-N 279.472 4.600 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1sc(C)cc1C 2304038095 KUUCFGBFUKOGBH-HUUCEWRRSA-N 251.439 4.618 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C=O)cc1C(F)(F)F 2313625320 UMINNQQXIUNCKB-SECBINFHSA-N 274.307 4.575 30 10 CJEE C=CC[C@H](C)Sc1ccc(C=O)cc1C(F)(F)F 2313625321 UMINNQQXIUNCKB-VIFPVBQESA-N 274.307 4.575 30 10 CJEE CCCC#CC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2318353379 UFVINIOSMIUDNY-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE C=C(C)C[C@@H](C[C@@]1(C)CCCC1(F)F)NCCC 2319290242 DKSCBPQTNAYSAP-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C)c(Cl)cc1F 2321109609 ZVHXKYHDIYDWSQ-AWEZNQCLSA-N 269.791 4.650 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(F)cc1Cl 2321176472 DHBCJBZHIBYWTD-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1ccc(Cl)cc1 2322528210 NOJIDXSGZSPFNI-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1C[C@@H](F)C1 2327230263 PAUQHPNWLSZSFG-OWCLPIDISA-N 255.421 4.759 30 10 CJEE Cc1c(Cl)ccc([C@H]2C[C@]2(C=O)C(F)(F)F)c1Cl 2327983475 OYDZDIQZXQAVMK-LDYMZIIASA-N 297.103 4.537 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@H](CC)CCC)C1 2328083398 MTECUJLAFMPRMF-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE CSc1cc(N[C@@H](C)c2cccs2)ccc1C#N 2328519096 NVHSVLUGNYTOQO-JTQLQIEISA-N 274.414 4.515 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CC=C(C)CC 2338524434 UDCXXDOALOGTKP-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(Cl)cc1C(C)=O 2338723927 BVNVXQVNLQCRAW-UHFFFAOYSA-N 278.779 4.751 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C[C@@H](C)N)c(C2CC2)c1 2339157514 KDUGMPOVLSTFJP-CHWSQXEVSA-N 275.461 4.510 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C=O)CCC[C@@H](C)C2)c1Cl 2339316180 JNAAOOUABZBMJH-BDJLRTHQSA-N 282.786 4.725 30 10 CJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C(CCC)CCC 2339565344 HFILUQLSCCCPAO-IAGOWNOFSA-N 263.469 4.621 30 10 CJEE C#CC(C)(C)C[C@@H](CCC1=CCCCC1)NCCC 2340322278 SFNJACIYYZINHG-QGZVFWFLSA-N 261.453 4.685 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(CC2CC2)cc1 2341922745 LOMKPMCLRLEXRX-SFHVURJKSA-N 257.421 4.646 30 10 CJEE C=C1CC(CNC2CC2)(C[C@@H]2CCC(C)=C(C)C2)C1 2343389374 RFGLDPVFAFRTGP-MRXNPFEDSA-N 259.437 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C)cc1F 2344345564 WYYPHMMWRBDZET-DLBZAZTESA-N 263.400 4.777 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cccc(C2CCCC2)c1 2344346107 PZXQRMAYOABREE-KSSFIOAISA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(C(F)F)c1 2344371847 NHOKEDAERRAIIS-CQSZACIVSA-N 267.363 4.877 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(F)cc1F 2344372604 UDHYDWYPBWCHLG-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(OC)c1 2344378924 WDOMMWNWQBOGHL-LRDDRELGSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@H]1C[C@@H]1C1CCCCCC1 2344379348 OGCOIRHZZLYEEJ-BRWVUGGUSA-N 263.469 4.913 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCCC2(CCCC2)C1 2352071494 HNMDNABONCVKKT-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCCCC1(C)C 2352214811 NNAHCZWOSHJQHF-MRXNPFEDSA-N 282.449 4.664 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC2(CCCC2)CC1 2352319048 NOEUXRAKODJOIO-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CN(C[C@@H]1C[C@H]1C(C)(C)C)C[C@@](C)(CS)C(C)(C)C 2352321639 WDICTRYHFDBBDM-VBQJREDUSA-N 285.541 4.583 30 10 CJEE CN(CCCCCC1CC1)C[C@@](C)(CS)C(C)(C)C 2352326069 ZISVNIIIZYMKBC-KRWDZBQOSA-N 285.541 4.871 30 10 CJEE SC[C@@H](COc1ccc2ccccc2c1Cl)C1CC1 2353040391 QMABANTWNWONJO-CYBMUJFWSA-N 292.831 4.828 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138836 YGJNPEDADONOAA-DIECFANBSA-N 294.508 4.597 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2CC[C@H]2C(F)(F)F)CC1 2358407004 CCCUQPLOYXPFBH-YNEHKIRRSA-N 288.353 4.917 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 2358670694 ZEBGBAHTTRRRMQ-VHPHOLNESA-N 275.480 4.879 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC[C@@H]1C[C@@H]1C)NCC 2358721186 TYJJQINJQKSWCT-BSDSXHPESA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCO[C@@H]1[C@@H](O)C[C@@H]2CCC[C@@H]21 2358902821 HHVVVPYFIIGJSP-XSLAGTTESA-N 282.468 4.693 30 10 CJEE CCCCCCCCN(C)c1nc([C@@H](N)CCC)cs1 2360503609 FKLIPZSJFWWTOP-AWEZNQCLSA-N 297.512 4.740 30 10 CJEE CC[C@@H](Nc1cccc(C#N)c1)c1cccc(Cl)c1 20020818 AEPGOCHKNAVDNE-MRXNPFEDSA-N 270.763 4.775 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1cc(C#N)ccc1F 20023871 UGXMKRBWIIUSCC-QBIMZIAESA-N 289.394 4.675 30 10 CJEE CC(C)=NC[C@]1(C)C[C@H](N=C(C)C)CC(C)(C)C1 31361741 CQPAWBDJYIEKOZ-GDBMZVCRSA-N 250.430 4.533 30 10 CJEE Cc1ccc(C)c(Oc2c(C#N)cnc3ccccc23)c1 36913423 IHBDCHKKPWBCRT-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE C=CCOc1ccccc1CNc1ccc(CCC)cc1 37231274 CTSRCTULXBANHR-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE Cc1ccccc1Oc1ccc(C(F)(F)F)cc1C#N 37334086 AWFOTFZNSSVYKN-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CC[C@@H](CC#N)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 54183603 WOJWJONDMWTMNR-FZMZJTMJSA-N 285.218 4.726 30 10 CJEE C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823837 PPQWATXBEDTKRG-RWSFTLGLSA-N 297.229 4.726 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCOc2ccc(C)c(C)c2)c1 57695463 CAZQCJZJOSAYMS-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CCCCCCCN[C@H](C)Cc1cccc(Cl)c1 59434651 HYTHLMZKFUPDES-CQSZACIVSA-N 267.844 4.831 30 10 CJEE CCCCCCCOCC(=O)c1cc2ccccc2o1 59526037 IXOGANBDUINATG-UHFFFAOYSA-N 274.360 4.603 30 10 CJEE C=CCN(CC=C)[C@@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C 74324258 HIDIQSUPEYDYKB-GOSISDBHSA-N 297.446 4.551 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)CC1 86922676 SRHZJQMQFPWZAE-HZPDHXFCSA-N 256.393 4.575 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 88513554 SKDPDXXFLDMHPE-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE CCC[C@@H](CS)COc1cc(C(C)C)ccc1C 94585477 NKMGJMIFTTXQQF-CQSZACIVSA-N 266.450 4.843 30 10 CJEE CCCCCCCCCCCCNCCSC 105927828 FMYKLAFNKYLXHY-UHFFFAOYSA-N 259.503 4.860 30 10 CJEE CCCCCCCN1C[C@@H](CC)Nc2cc(F)c(F)cc21 106600050 GIZPUSQCUYWKOI-CYBMUJFWSA-N 296.405 4.946 30 10 CJEE C#CC[C@@H](CCC)c1cc(C)c(C)cc1Br 107479870 VABZMVXEAACAEB-ZDUSSCGKSA-N 279.221 4.973 30 10 CJEE C#C[C@@H](C)Cc1ccc(Oc2ccccc2)cc1C 107617772 HISAKGGNUWHDGQ-CQSZACIVSA-N 250.341 4.599 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCO1)NCCC 109724163 CRDGNJSJKBRNIL-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2ccc(C(C)C)c(C)c2)n1 110260758 SFBKOIOJGHNGOG-UHFFFAOYSA-N 280.371 4.794 30 10 CJEE Cc1ccc2[nH]c(Sc3ccc(Cl)cc3C#N)nc2c1 110354535 YSPGRUXIVIGLPQ-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE Cc1ccccc1CSCCCOc1ccccc1C#N 110354924 LKFVWGSOIVFHIA-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(Cl)cc1F 112888180 UBYRNPLLPHMWLD-CQSZACIVSA-N 258.764 4.873 30 10 CJEE CCCCCCC[C@H](CS[C@@H](C)CC)NCC 114866674 AYSDOQCVOVXVBL-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCc2ccccc21 115051312 KTNKXCOIUQLGOK-QZTJIDSGSA-N 259.437 4.794 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NCC1(CC)CC 115241841 PSPDVYBSHJRCOH-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCc1nnc([C@@H](C)NCCC)s1 115275071 XGOHROOBXDNANS-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CCCCCCCC1(c2cccc(Cl)c2)CNC1 118674322 RPCXRCWVAMZQRM-UHFFFAOYSA-N 265.828 4.542 30 10 CJEE CCCCCCC[C@@H](CO)c1cccc(Br)c1 118857521 NXMXLMOUBNWTHC-AWEZNQCLSA-N 299.252 4.886 30 10 CJEE CCCCCCCCCC1(c2ccccc2F)CNC1 118886303 YHFOQXRTDSIEGN-UHFFFAOYSA-N 277.427 4.807 30 10 CJEE CCCCCCCCC[C@@H](CCCC(F)(F)F)NN 124433996 KWPBJUOARYJIBN-ZDUSSCGKSA-N 282.394 4.692 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](CC)OC 124616226 OHKJUQZGJZEHEH-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1n1c(S)nc2ccc(C#N)cc21 125086997 CWMFPUPNKWSGOO-DZGCQCFKSA-N 299.443 4.584 30 10 CJEE CCCCCCCCCCCCN(C)CC[C@H](C)N 135815999 DSSNWIYFMXHCFR-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE Cc1cc(Oc2ccc3ccccc3c2)c(C#N)c(C)n1 156599701 PVSIPCSFMAFDBU-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(SC)cc1 158163457 QWJXTQUMBJGCEV-OAHLLOKOSA-N 251.439 4.769 30 10 CJEE CCCCCCCCNC1CC(c2ccccc2OC)C1 159137579 ALVHNHCEYJUMLD-UHFFFAOYSA-N 289.463 4.891 30 10 CJEE CCCCCCCC(=O)[C@@H](OCC)c1ccccc1 161566896 HKNOIZZQIBWYRE-KRWDZBQOSA-N 262.393 4.694 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCCCC1 163989585 LQQSFTJFUAATPE-NSHDSACASA-N 296.336 4.958 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2ccccc2n1 164591820 PJIXYWJRLXLZDC-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CC(C)CC(O)(CC(C)C)C1(C#N)CCCCCC1 165724018 PQQHXCUOHYSAGV-UHFFFAOYSA-N 265.441 4.674 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)c(C)s1 167670867 APSFAPWNQRPACI-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1=CCCC1 189901836 DBVDUEBZWPMZNN-UHFFFAOYSA-N 269.388 4.587 30 10 CJEE C=CCOc1ccccc1CN[C@H](CCC)CCCC 225996395 ITYDGIKALQLOHG-QGZVFWFLSA-N 275.436 4.700 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 228817564 TYEYEBYZOJJKTP-WDEREUQCSA-N 272.219 4.999 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc2ccc(F)cc2s1 229758403 PQFCRCGFPYDRJH-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cn(C)cn1 232921332 FSXAERVIHRTMNW-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCC[C@H](O)CCC(=O)OCCCC 232930966 BRJMQKWSNHYCLQ-INIZCTEOSA-N 286.456 4.612 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(OC(C)C)c1 234441695 YEHVDCBRHRMZPN-SFHVURJKSA-N 275.436 4.871 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(Cl)c2Cl)CC1 235294071 NSLVRBGJVILLHO-VIFPVBQESA-N 269.171 4.923 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cc(Cl)ccc1Cl 235786685 PTNFXORFBHWGTF-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE O=C(CSC1CCCC1)C1=CCCCCCC1 236399121 RPZMIGYEONBAGE-UHFFFAOYSA-N 252.423 4.512 30 10 CJEE SCC1(c2cccc(Br)c2)CCCCC1 259521782 VJOBBQWSYVQMLB-UHFFFAOYSA-N 285.250 4.581 30 10 CJEE CC(C)c1ccc(C(C)(C)CC#N)cc1Br 260456263 JXTFFKHLDLSSIE-UHFFFAOYSA-N 280.209 4.764 30 10 CJEE CC(C)(F)c1ccc(F)c(C2(C#N)CCCCC2)c1 260597124 OHZHPBMLQWNEMM-UHFFFAOYSA-N 263.331 4.756 30 10 CJEE CCCCCCCCC[C@@H](O)C1(SC)CCC1 302503856 XMBCUWMPINZZLB-CQSZACIVSA-N 258.471 4.774 30 10 CJEE CSc1ccc([C@H](C)Nc2cc(C)cc(C#N)c2)cc1 308120881 ICFCHROKWWKBAM-ZDUSSCGKSA-N 282.412 4.762 30 10 CJEE N#Cc1ccc(N)c(Sc2cc(Cl)cc(Cl)c2)c1 310702166 AAOQTBMOFNVQHT-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCc1cc(Nc2ccc(C#N)cc2Cl)ccc1C 311373480 HFIZCXGRAIEPNK-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccnc3cc(Cl)ccc23)C1 312464260 QFOSSHFMBUGEAS-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE CCC(CC)(CS)CN(CC(C)C)c1ccccc1 382292605 VGMJKUOVLFRWJW-UHFFFAOYSA-N 279.493 4.885 30 10 CJEE Cc1ccccc1N[C@@H](C#N)C1CCC(C(C)C)CC1 383565451 KZRBSFWIRGBDRZ-HTWSVDAQSA-N 270.420 4.762 30 10 CJEE C=CC(C)(C)CN[C@H]1c2ccccc2CCC1(C)C 384865217 PLMNBDBJGQSYQN-INIZCTEOSA-N 257.421 4.502 30 10 CJEE C=CC(C)(C)COCc1cc(CNC(C)(C)C)sc1C 387092677 BAYXYXFZSGHZNU-UHFFFAOYSA-N 295.492 4.673 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(C(F)(F)F)cc1 393736804 CFFLPLDCGQUIFZ-SMDDNHRTSA-N 271.326 4.711 30 10 CJEE C=CC[C@@H](CC)N[C@H]1CCSc2ccc(Cl)cc21 393788115 ZPDCVVFNNWUDCM-OCCSQVGLSA-N 281.852 4.821 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 398099320 GWZHFJRGMZNNAN-LTIDMASMSA-N 251.458 4.782 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1O 402249980 HQOYYBALWTUWPI-OWCLPIDISA-N 282.468 4.571 30 10 CJEE C[C@@H](CC(F)(F)F)CC1(C=O)CCCCCCC1 402662457 XIUQXVJJIMLGET-GFCCVEGCSA-N 264.331 4.895 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccccc2Cl)c(Cl)c1 404758538 QFEMWMULYYXVOM-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)SCCCC 410366667 MIWKWGXCFBWNOL-CQSZACIVSA-N 291.460 4.666 30 10 CJEE CCc1cc(C(F)F)c(OC(F)F)cc1C(F)(F)F 575654010 OGJRGGYUXYWVAU-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE C=CCCc1ccccc1NC(=O)c1c(C)oc(C)c1C 671848574 WOTPGTZKMDWUIA-UHFFFAOYSA-N 283.371 4.576 30 10 CJEE C=CCCCCC[C@]1(CNCC(C)C)C[C@@H](C)O[C@@H]1C 686484482 FOCLUHJBLONZCO-KZNAEPCWSA-N 281.484 4.552 30 10 CJEE C#CCC[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688345664 MIYGGSUHAZMHEO-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1C 692271674 JDZBALUQSLBBCF-LZLYRXPVSA-N 257.421 4.781 30 10 CJEE CCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698454385 YOTMHWNGKBQBRQ-CABCVRRESA-N 296.455 4.885 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](C)Oc1ccccc1 700688327 QWPFSLALKJFRTA-SJLPKXTDSA-N 277.452 4.793 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCc2sc(Cl)cc21 701865745 WCMLHBJZNXQRKD-GFCCVEGCSA-N 283.868 4.971 30 10 CJEE CCCCCCCCCC[C@@](N)(CC)[C@@H]1CCOC1 704920366 UFRMWTSNXSUTOL-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCNCc1ccc(F)cc1C(F)(F)F 705969508 GVYJHPHEGZBXAR-UHFFFAOYSA-N 291.332 4.905 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccccc1Cl 709560229 ATQJHQQFIFEDBZ-INIZCTEOSA-N 283.843 4.717 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(F)ccc(F)c1F 716401098 GSGNZYRMVLPJLH-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE C=CCCC(C)(C)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 717667839 RSATVHUTMIKHTK-UHFFFAOYSA-N 286.734 4.544 30 10 CJEE CCCCCCCC[C@@H](CCC(C)=C(C)C)NN 718572729 FBHBSRFDTZGKKA-INIZCTEOSA-N 254.462 4.705 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)[C@@H]1C[C@@H](C)C[C@@H](C)C1 719376050 FCEXNHLGWYFDOF-HWMZRRJGSA-N 271.404 4.683 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCC(F)(F)C2)CC1 724595657 VBOOUCSERNICKG-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C[C@H](CC1CCCC1)/N=C1/N[C@@H](C2CCCC2)CCS1 725116307 UGAQOHLLNGVKPU-CZUORRHYSA-N 294.508 4.597 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](CC)c1cc(C)ccc1OC 1127448768 ZSMYJLPBMBMWHN-ZBFHGGJFSA-N 290.403 4.600 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](C)c1ccccc1F)c1ccccc1 1131134846 RCKUMNYBXGFTEP-KBXCAEBGSA-N 298.357 4.790 30 10 CJEE C=C(CC)CN1CCC[C@@]1(C)Cc1ccccc1Cl 1171900524 MRXGJQGBRLBYME-KRWDZBQOSA-N 277.839 4.703 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1ccc(CC)cc1 1171920341 CZKFAHKTBLQDRR-RBUKOAKNSA-N 271.448 4.516 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc3sccc3c2)C1 1178855514 KTQMLDOLXPGREK-CJNGLKHVSA-N 271.429 4.736 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCO[C@H](CC(C)C)C1 1180327419 XVDBZAMFZCYYTL-OKZBNKHCSA-N 281.484 4.695 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CC(C)(C)CC[C@@H]2C)cc1 1181686914 KYYUXYXUKILGSB-MAUKXSAKSA-N 287.447 4.556 30 10 CJEE C=CCCC[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 1183551394 QTXJZLPKCVWHGZ-LSDHHAIUSA-N 298.257 4.867 30 10 CJEE C=CCCc1ccccc1N[C@H](C)CCc1ccco1 1205503753 IEIMNLPXKJJWFA-OAHLLOKOSA-N 269.388 4.831 30 10 CJEE C=CCCCC[C@H](C)Nc1ccccc1OCCF 1205931880 IRAATLBKVFBSHG-AWEZNQCLSA-N 265.372 4.582 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)CCC[C@H]2C)CCCCC1 1265248653 DSAGPFJJVQMRKM-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=CC[C@H]1CCN1[C@H](C)c1ccc(C(C)(C)C)cc1 1308138941 APTLFYQYYDOFFE-PBHICJAKSA-N 257.421 4.696 30 10 CJEE C=C(C)[C@H](NC1CC2(CCCC2)C1)c1ccc(F)c(F)c1 1308694078 HGIHRCIMXWFFMQ-KRWDZBQOSA-N 291.385 4.894 30 10 CJEE C=CC[C@@H](CC)NC1CCC(c2ccc(OC)cc2)CC1 1308722089 GCGFGPXJEOFAPL-IIIMJFFVSA-N 287.447 4.666 30 10 CJEE C=C1CCC(C(=O)OC2CCC(C(C)(C)C)CC2)CC1 1356518353 YHTDGNLJWPHVRI-UHFFFAOYSA-N 278.436 4.881 30 10 CJEE C=CCOc1cccc(CNc2ccc(C)cc2OCC)c1 1461334964 VGBQTFCNAFTTNH-UHFFFAOYSA-N 297.398 4.571 30 10 CJEE C#CCCCCCCOc1ccc([N+](=O)[O-])c2ccccc12 1473006625 VWSJPWBKMVFDDM-UHFFFAOYSA-N 297.354 4.711 30 10 CJEE C#CCN(Cc1ccccc1-c1ccccc1C)CC1CC1 1474355506 LFNUQYXYHDOGER-UHFFFAOYSA-N 289.422 4.507 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC[C@H](c2ncccc2C)C1 1474642445 OEBKOPKJWDOQNI-IRXDYDNUSA-N 286.463 4.608 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 1521165363 MTPPVGPKLPSXDW-KRWDZBQOSA-N 291.822 4.654 30 10 CJEE C=CCC[C@@H](C(=O)Nc1ccc(C)c(F)c1)c1ccccc1 1524456544 UQUSUZLRJVTJCD-QGZVFWFLSA-N 297.373 4.823 30 10 CJEE C=CCCCCCCCNC(=O)c1cccc(C2CC2)c1 1524537234 GYBHTVHARFYEOT-UHFFFAOYSA-N 285.431 4.820 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1c2ccccc2CC[C@H]1C(C)C 1528310102 RGTLYHOJKURSNX-QFBILLFUSA-N 299.458 4.665 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@H](C)CC1CCCCC1 1537213198 GZTWMCWXJRMOAF-NVXWUHKLSA-N 277.452 4.550 30 10 CJEE Fc1cc(F)cc(C#Cc2ccc(Cl)cc2Cl)c1 1614730607 BRUJTNZAKZWKNA-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE CCc1ccccc1C#Cc1ccc(Cl)cc1Cl 1614730785 HNJRTXNVCCBLRZ-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE CCCCCOc1ccc(C#Cc2ccc(OC)cc2)cc1 1614817581 WGHSZQOZABIRGU-UHFFFAOYSA-N 294.394 4.664 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCSC1CCCCC1 1620414775 IPQMSDCQIYSHMW-RDJZCZTQSA-N 281.509 4.777 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCc2cccnc2CC1 1620912619 ZRUBVOHCRILHJC-SFHVURJKSA-N 292.426 4.560 30 10 CJEE C=CC[C@@H](CC)NC(=O)NC(C)(C)CC1CCCCCC1 1634778385 PXLDKOSIWNQJIY-MRXNPFEDSA-N 294.483 4.779 30 10 CJEE CCCCCCCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 1643852578 DPAOTSWWOSDCIZ-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE C=CCN(CCc1ccc2ccccc2c1)C(C)(C)C 1643857653 MUTFKJUNGKPUDK-UHFFFAOYSA-N 267.416 4.669 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 1645064341 WPPIPJNBCGKTKU-BBWFWOEESA-N 291.479 4.654 30 10 CJEE C=CCC[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ccccc1 1645079846 ICUXEDBCSIMKRL-MOPGFXCFSA-N 299.458 4.633 30 10 CJEE C=CCCCCC[C@@H](C)NC1CCC(C)(N2CCC2)CC1 1653199006 QCLPESLHRYJRSI-LMDPOFIKSA-N 292.511 4.508 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@]1(C)CC1(Cl)Cl 1653500886 UMQOVXKZLIAMKT-OAHLLOKOSA-N 298.257 4.649 30 10 CJEE C=CCOc1cccc(CN[C@H](CC)C2CCCCC2)c1 1657031032 UUNWDIVGICEHEC-LJQANCHMSA-N 287.447 4.700 30 10 CJEE C=CCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1657957522 VDQMHAQXOIFQCE-APHBMKBZSA-N 263.812 4.593 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 1664987246 JKPWEXHTJDAWRQ-KBWCOIMZSA-N 291.438 4.710 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC)cc1 1665520459 TUYYICBPINKGPB-DOTOQJQBSA-N 286.419 4.505 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(CCCC)cc1 1666330320 FZZLYIFRUKCUMD-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=CCCCCNC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1680186458 QOPOXHYGQCTTRG-CVEARBPZSA-N 294.483 4.637 30 10 CJEE C=C(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C 1858160776 DICJCAZVVFKITR-UHFFFAOYSA-N 281.355 4.630 30 10 CJEE CCCCCCCCCN1C(=O)[C@@H]2CCCCC[C@H]21 1883426992 DNATYSXELZCADO-HZPDHXFCSA-N 265.441 4.528 30 10 CJEE C=C1CCC(CN2C[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 1884406694 GHJBKZCUIQNUJJ-NJAFHUGGSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1885264411 JPSBYDFYDFPXHU-FJIDUMEYSA-N 262.437 4.538 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2C[C@@H]3CC[C@@H]3C2)C1 1885979439 IVNNVGSXDRXUHE-PHZGNYQRSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@](O)(CC)Cc2ccccc2)CC1 1886357141 ADSVLBRIDBOGQI-GOSISDBHSA-N 258.405 4.507 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1sccc1C)C1CC1 1887474496 HDWDKVIFYPDJSX-CVEARBPZSA-N 275.461 4.537 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCOCc1ccccc1)NC 1892652485 JWOJIMAETOFUAC-RTBURBONSA-N 289.463 4.564 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1OCC[C@@H]1C)NC 1918093171 RUFPESADRIDABS-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@](C)(N)c1cnn(CC)c1 1920200017 NJZSBMDTCCADJE-QGZVFWFLSA-N 279.472 4.608 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C1CCC(CC)CC1 1920388908 NRDJWKOROWNMTM-HIEASXQVSA-N 283.500 4.642 30 10 CJEE CC[C@](O)(c1ccc(Cl)cc1)[C@@]1(C#N)CCC[C@@H](C)C1 1921034921 WKWMOZRZGURNEH-COXVUDFISA-N 291.822 4.658 30 10 CJEE C=C(C(=O)Cc1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922940779 MVOPLYXINHVVOR-UHFFFAOYSA-N 287.262 4.539 30 10 CJEE N#Cc1ccc(SCC2CCCCC2)cc1Cl 1941743313 RSGJAYOKIQGNDV-UHFFFAOYSA-N 265.809 4.884 30 10 CJEE CCc1ccc(CSC[C@H](CS)C(C)(C)C)o1 1941856457 LNHUHRGSJJPVJX-NSHDSACASA-N 272.479 4.667 30 10 CJEE C#CCCC[C@@H](NCCC)c1scc(Cl)c1Cl 1947153328 VEGXNUQPVOKEKP-LLVKDONJSA-N 290.259 4.899 30 10 CJEE CC(C)(C)C1CC(CNc2cc(Cl)ccc2C#N)C1 1971518640 VTEUZYDVBZULHO-UHFFFAOYSA-N 276.811 4.696 30 10 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C=CCC(CC=C)[C@@H]1C[C@@H](CCC)CC[C@H]1C(=O)O 2338701613 FVJORGYBXPUCIU-IMJJTQAJSA-N 264.409 4.672 30 10 CJEE C=C([C@H](NCC)c1ccc(F)c(C)c1Cl)C(F)(F)F 2338779407 UYHURFWSXNQNLW-LBPRGKRZSA-N 295.707 4.557 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1[C@@H](C)C[C@H]1C 2339085181 CCFLFUXJBDYMAY-TWMKSMIVSA-N 268.489 4.641 30 10 CJEE C=CC1(CN(C)Cc2ccc(F)c(C)c2Cl)CCC1 2339352137 YYMFRWWPVPQYIB-UHFFFAOYSA-N 281.802 4.576 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)CCCCC(F)(F)C(F)(F)F 2342348303 MBJRWNAPPIFRDG-MNOVXSKESA-N 286.284 4.750 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCCC[C@@H]1F 2344348608 MHAGTFVYTNYOGL-TWMKSMIVSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1[C@H]2CCCC[C@H]21)NCC 2344371145 IAVFLVRIYYNILI-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE CN(C[C@@H]1C[C@@H]1C(C)(C)C)C[C@](C)(CS)C(C)(C)C 2352321637 WDICTRYHFDBBDM-GRDNDAEWSA-N 285.541 4.583 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358541509 XYHQSEGQFPJOLU-XLAORIBOSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1OCC[C@@H]1C 2358666187 WMDXUCCZXBFBPG-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE O[C@@H](C#CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1 2359890506 BLESRLLKFSFZNG-OTWHNJEPSA-N 274.448 4.538 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@H](C)NCC)cc1Cl 2360220493 WVPXDXQSBMACCX-ZDUSSCGKSA-N 293.838 4.910 30 10 CJEE C=CCC(CC=C)Sc1cccnc1CN[C@H](C)CC 2360376135 RCFNJKFIVQAQJU-CQSZACIVSA-N 290.476 4.583 30 10 CJEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1cccs1 37089073 LNAOGZZNXJYRCF-CYBMUJFWSA-N 274.364 4.631 30 10 CJEE CCN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 37147217 KOOQNCCRVZLDAE-YESZJQIVSA-N 278.484 4.709 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C)c1cccc(Cl)c1 38093157 YMDQKKZEGSUBAP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](c1cccs1)C1CC1 42330695 LSZNNGMRNYFOMY-INIZCTEOSA-N 286.375 4.631 30 10 CJEE CC(C)N(Cc1cccs1)[C@H](CC#N)c1ccccc1 55020468 ASIFXCXFQWYTFA-QGZVFWFLSA-N 284.428 4.613 30 10 CJEE Cc1ccccc1C[C@H](C#N)c1c(F)cccc1Cl 57741526 OKSNNKBDOMJBIY-CYBMUJFWSA-N 273.738 4.637 30 10 CJEE Cc1cc2nc(-c3ccccc3)n(CCCC#N)c2cc1C 57868993 WAPWIWHRAYLHBY-UHFFFAOYSA-N 289.382 4.624 30 10 CJEE Cc1ccc(/C=N/c2ccc(C)c(Br)c2)cc1 59519033 AWNIMRJYYZIAHT-LICLKQGHSA-N 288.188 4.817 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2cccs2)c(C)c1 83194194 SOWWUEQTUUYDCG-VOTSOKGWSA-N 256.370 4.569 30 10 CJEE SCCCCCCOc1ccc(Cl)cc1Cl 87078619 NFZAGGJBQDQTKS-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE CCN(CC1(CS)CCC1)c1cccc2ccccc12 94578503 FSUJQGBJTIAMNP-UHFFFAOYSA-N 285.456 4.766 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H](C)c1cccc(Cl)c1 94579572 OOCDUJOBPYOFLQ-JSGCOSHPSA-N 285.884 4.535 30 10 CJEE CCCCCCC[C@]1(N)CCCCc2ccccc21 109701451 RCXQOZAOQHFEMW-SFHVURJKSA-N 259.437 4.928 30 10 CJEE CCCCCCCC[C@@]1(N)CCCc2ccccc21 109703124 FJAQELAKKWZEPW-GOSISDBHSA-N 259.437 4.928 30 10 CJEE CCCCCCCO[C@@H]1CCCc2ccccc2[C@@H]1NC 110081643 WETFHEZHXLSQPS-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CCCCCC[C@H](C)Oc1ccc(C#N)cc1Cl 110261694 ABUNIHWTTOLUHX-LBPRGKRZSA-N 265.784 4.949 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](C)N(C)C 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289.488 4.531 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2cc(F)cc(Cl)c2)CC1 161409745 FZGMRTSARNNKRB-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1Cl 162971524 AAJRIZRCLYMNBK-CJNGLKHVSA-N 277.795 4.697 30 10 CJEE CCCCCCC[C@H](O)[C@@H](OCC)C1CCCCC1 163064284 NLVFAMWSMJDAET-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE C=C(C)CN[C@@H](CC)c1ccc(Cl)c(Cl)c1 167452913 WXUUXLORQCYSFQ-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1ccc(C#N)cc1Br 213218299 GIKVXTZOIHAMKF-QWRGUYRKSA-N 295.224 4.557 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CCC[C@@H](C)C2)CC1 227318666 ICJOGRRXKFNZEY-BRSBDYLESA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)cc2c1OCC2 228468085 KFGURAHXUUAAAB-OAHLLOKOSA-N 281.827 4.635 30 10 CJEE C=C[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229321532 GJWFMICUANZFAE-JGVFFNPUSA-N 278.610 4.872 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCOC2(CCC2)C1 229829417 SLOJSJQMGSVPSF-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CC[C@H](C)c1ccc(OCCCCCS)cc1 232360757 VXSZDQVXLCLXDC-ZDUSSCGKSA-N 252.423 4.679 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1ccc(C)cc1Cl 232592750 GPUGCTBVVWSXQP-QGZVFWFLSA-N 279.855 4.629 30 10 CJEE CC(C)C[C@@H](C)N(C)c1ccc(C#N)c2ccccc12 232611426 XLFVNWGXZPTZBZ-CQSZACIVSA-N 266.388 4.582 30 10 CJEE C=CCCCCCC1(C(=O)O)CCC(CC)CC1 232875240 GMLDTLBLWFAJKF-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE CCCCOc1ccc(C(=O)C2=CCCCC2)cc1 232972278 OQLXBTNHRMBLIN-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2cc(Cl)ccc2Cl)CC1 235614959 INSKNUWOUNIHQB-SNVBAGLBSA-N 283.198 4.851 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2ccc(C#N)cc2Cl)C1 235678998 NCJQUMNWRMXYFC-RISCZKNCSA-N 274.795 4.616 30 10 CJEE Cc1cccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1C#N 235923238 LXXWLCBVDZUXMF-DOTOQJQBSA-N 270.420 4.884 30 10 CJEE C=CCCCCCOc1cc(Br)ccc1F 236145927 UNZZTGLQLZORHE-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC 250792242 KIHAWMRVXKLKAI-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@H]1C1CC1 250794988 ALQCHKMHCIYNQW-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 250839371 WZPDDNWHGTYZKH-BZUAXINKSA-N 270.457 4.549 30 10 CJEE CCCCCCC[C@@H]1N([Si](C)(C)C)C(=O)[C@]1(C)CC 311457335 USYMHINTVQNCNI-GOEBONIOSA-N 283.532 4.809 30 10 CJEE CCCCCCCC(=O)[C@H]1C(=O)c2ccccc2[C@@H]1C 313500105 KLIIJRYGRMKFLA-GUYCJALGSA-N 272.388 4.532 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(C)c(C)n1 316110782 OHBHIBTYFQVWBK-INIZCTEOSA-N 262.441 4.839 30 10 CJEE C[C@@H](C[C@]1(C=O)CCC[C@@H](C)C1)C1CCCCC1 316615161 KEEMJMODLBBIDV-VYDXJSESSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316923074 ZZPDDAPBZQATNR-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE Cc1cccc(C)c1CC1(C=O)CCC(C(C)C)CC1 317296510 LSZIBSWAALYWMM-UHFFFAOYSA-N 272.432 4.877 30 10 CJEE CC(C)C1CCC(C#N)([C@H]2CCOC3(CCC3)C2)CC1 383373820 PHWPTPRDXXLKDL-CGZBRXJRSA-N 275.436 4.692 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(Cl)cc1Cl 398128242 ULFVKDYUCYICEM-NSHDSACASA-N 272.219 4.828 30 10 CJEE C=CCCC[C@H](C)N[C@H](c1ccc(F)cc1)C1CC1 398155802 GGRHFQHKGCMLDF-GUYCJALGSA-N 261.384 4.611 30 10 CJEE C=C([C@@H](NCCC)c1csc(C)c1C)C(F)(F)F 399893591 XOYQFUIQQWUMOW-GFCCVEGCSA-N 277.355 4.524 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C#N)CCCC(C)(C)C1=O 402249137 AYZFCBSRDJCFOU-FZMZJTMJSA-N 289.341 4.644 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H](C)CC(F)(F)F)CC1 402617057 IDRPFTCHTNZSBY-IYXRBSQSSA-N 278.358 4.997 30 10 CJEE C=CCCc1ccccc1NC(=O)CC(C)(C)CC 410379104 CYSHGHUISOCHHX-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 464438997 NOOCEEKOJDULMQ-CABCVRRESA-N 299.414 4.945 30 10 CJEE CC1(C#N)CCN(Cc2cc(-c3ccccc3)cs2)CC1 507694291 KLLNTHHXYLBZIL-UHFFFAOYSA-N 296.439 4.541 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C 557384532 UOPUADLJQABLKT-CABCVRRESA-N 291.483 4.732 30 10 CJEE Cc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 575340781 GRIDGAVDACPUFI-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CC[C@H](CC)CC1 686700654 DMNYGNGMAJDJHD-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC[C@H]1C(C)C 688030780 RRTNBIOMVBYDHE-DLBZAZTESA-N 270.457 4.551 30 10 CJEE CC(C)(C)C[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688315217 KCPGGDSMRFLHKQ-CYBMUJFWSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CC2(CCC2)C1 691890879 MHUGRGWAQYUYRN-QGZVFWFLSA-N 280.500 4.929 30 10 CJEE CCSc1cccc(NC[C@@]23CCCC[C@@H]2C3)c1C#N 693534546 MEEJUUXQDTXFRE-DYVFJYSZSA-N 286.444 4.662 30 10 CJEE CSc1cccc(Nc2ccc(Cl)cc2C#N)c1C#N 695731674 VMOGZZJOLXEZNK-UHFFFAOYSA-N 299.786 4.549 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCCC[C@H]1C1CC1 696142782 IDJHRAHJTPQLDN-GJZGRUSLSA-N 274.795 4.592 30 10 CJEE C=CCCCCCOc1c(Br)cccc1OC 696633746 TWNFWWPZAJLQSZ-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE CCCCCCC[C@@H](C)NC1C[C@H]2CC[C@H](C1)C2 697883352 QLJOGIJPEKBAGW-PMPSAXMXSA-N 251.458 4.904 30 10 CJEE CC(C)C[C@H](C)c1nc2cc(C#N)ccc2n1C(C)C 709151048 LVKKOVYMFUHJAM-ZDUSSCGKSA-N 269.392 4.638 30 10 CJEE CCOCCCC1(C#N)CC(C)(C)CC(C)(C)C1 711132516 GPMREIHJFHDTGL-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CCC(C)(C)CO2)CC1 714100620 FZWDCILKUOCJNF-UPTPFMHGSA-N 280.452 4.613 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCC[C@@H](C)C1 719627792 WVNXXUKZVOBERA-AOIWGVFYSA-N 285.431 4.949 30 10 CJEE N#CC1(Cc2scnc2Cl)CCCCCCC1 721149222 HEKRNJJWTAYNAN-UHFFFAOYSA-N 268.813 4.593 30 10 CJEE C=C1CCC(C[C@H](N)c2cscc2Cl)CC1 724620166 XLBCNTRPKARREH-ZDUSSCGKSA-N 255.814 4.538 30 10 CJEE CC(=NNc1cccc(F)c1F)c1ccc(F)cc1Cl 743443945 YYELEOOVBBOVJI-UHFFFAOYSA-N 298.695 4.593 30 10 CJEE C=CC[C@H](OC(=O)[C@@H](C)c1ccsc1)c1ccccc1 778746460 YAVUEPOFCPYSQQ-BBRMVZONSA-N 286.396 4.712 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(C(C)(C)C)c1 821963398 MZZUQNZYCZOYOP-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE C=C(C)c1cccc(NCc2coc(C(C)(C)C)n2)c1 901510296 ZBPNPNLQFMYGCE-UHFFFAOYSA-N 270.376 4.617 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cccc(SC)c1C 930706997 JQHJMIGCCUIRFV-UHFFFAOYSA-N 292.448 4.537 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1 1129958251 VSOCULYTZASORR-LMMKCTJWSA-N 299.458 4.774 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@H](CC)CC1CCCCC1 1131602877 YSYVBUYYFQRUIB-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc3cccnc23)c1 1134626788 ODIHSPGCTRBXKE-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE CCCCCCCCN(C)Cc1ccnc(Cl)c1 1138820781 SSJZFXNUHPRWDG-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C=CC[C@H](CC)N[C@H](C)CCc1ccc(Cl)s1 1205550956 GNDSHKNACCLTNW-NEPJUHHUSA-N 271.857 4.667 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 1206776651 DMJUNFGIRHTENE-OAHLLOKOSA-N 296.458 4.526 30 10 CJEE CCCCCCCCCCN(C)Cc1cc(C)on1 1206822178 NGASTCYGIXJNGG-UHFFFAOYSA-N 266.429 4.556 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CCCC[C@H]2C)c1 1210293145 XXFUSFZKIYYYJG-GDBMZVCRSA-N 286.419 4.668 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)CC1(C)C 1251609398 RIBMVAIQNOGINJ-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=CCCCCCSc1nc(C)c(C)n1CC(C)C 1307273216 BYVGKIVUZJORAV-UHFFFAOYSA-N 280.481 4.994 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCc2ccc(C)cc21 1308846551 SRTKSTQBRQFOTK-YJBOKZPZSA-N 257.421 4.707 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCc1ccc(C)c(C)c1 1308858235 CLYOOFYRYIPHHY-MOPGFXCFSA-N 271.448 4.570 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCC[C@@H](CC)C2)CCCCC1 1312053526 YLNLSJPROGPRSG-CVEARBPZSA-N 292.467 4.533 30 10 CJEE C=C[C@H](CC)CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 1354120688 FZVMGLHSZGYCHT-BEFAXECRSA-N 297.442 4.657 30 10 CJEE C=C(C)CCC(=O)N1CCCSc2ccc(Cl)cc21 1457511960 PSEJNQHRSVIOKU-UHFFFAOYSA-N 295.835 4.525 30 10 CJEE C=C1CCC(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)CC1 1458715389 OPGONMTXLOXNOA-HNAYVOBHSA-N 297.442 4.563 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CC(C)(C)OC1(C)C 1459491853 UFGBAUUVIOKTDY-KRWDZBQOSA-N 293.495 4.648 30 10 CJEE C#CCCCCCCN(C)c1cc(Cl)ccc1C 1460172589 GDGFPETXOZSZBM-UHFFFAOYSA-N 263.812 4.668 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c2cccnc12 1460488306 NOXMVXDGCVWDGR-GASCZTMLSA-N 298.817 4.571 30 10 CJEE C=C1CCC(CNC(=O)c2ccc(CCCC)cc2)CC1 1462676717 JHCXXVIXDOQDEP-UHFFFAOYSA-N 285.431 4.505 30 10 CJEE C=C1CCN(Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1473148854 KAHGADFLRVPVFQ-CYBMUJFWSA-N 283.337 4.504 30 10 CJEE C#CC1(NCc2ccc(-c3ccccc3Cl)o2)CCCC1 1474247333 YZOXQSSNAQMEFN-UHFFFAOYSA-N 299.801 4.636 30 10 CJEE C=CC1(CC(=O)NCCCCc2ccccc2)CCCCC1 1523823974 RZNIXMJCMUGHIK-UHFFFAOYSA-N 299.458 4.652 30 10 CJEE C=CCC1(CNC(=O)/C(C)=C/c2ccc(C)cc2)CCCC1 1525845419 PDZOTHQHPLOPLP-SAPNQHFASA-N 297.442 4.651 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1537213411 IUJHBSLJBBHJEC-WNRNVDISSA-N 289.463 4.550 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(CC(C)C)CCC1 1584863996 OREZWCOZRIYOCS-GOSISDBHSA-N 299.458 4.506 30 10 CJEE C=CCCC[C@@H](NC(=O)/C(=C\C)CC)c1ccccc1 1598380043 WCGGGAQCDGIJPE-DBCFMDJHSA-N 271.404 4.557 30 10 CJEE C#Cc1ccc(CN[C@H](C)CCCCCCC)cc1 1621345201 LKDXXLUKQVTPMK-MRXNPFEDSA-N 257.421 4.507 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)CCC(C)(C)c2ccccc2)C1 1628820019 DRGXINIPQSSXPO-QGZVFWFLSA-N 299.458 4.559 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCC(CC)(CC)CC 1633093660 OMYIPGSRAJLRCI-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE CCCCCCCCN1CCSC(CC)(CC)C1 1642639172 JEXWSGIUMADYPH-UHFFFAOYSA-N 271.514 4.955 30 10 CJEE C=CCCC[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 1651483875 FNXRXORWAPWFAP-OALUTQOASA-N 299.458 4.775 30 10 CJEE C=CCCN1CCCCC[C@H]1/C=C\c1ccccc1 1652896059 JYASBQVZHZZNLR-HWOXTHGCSA-N 255.405 4.521 30 10 CJEE C=CCN(Cc1cccc2ncccc12)CC1CCCCC1 1653366776 IFVNOADGUBBOOI-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE C=C(C)CCN(C)c1ccc(Oc2ccccc2)cc1 1653752080 FQCHZTIWHQSZSS-UHFFFAOYSA-N 267.372 4.881 30 10 CJEE C#CCCCCCCN1CCC[C@H](C)c2ccccc21 1654085137 BWIRXGNZZXHWOK-KRWDZBQOSA-N 269.432 4.974 30 10 CJEE C#Cc1cccc(NCc2cc3nc(Cl)ccc3s2)c1 1657019111 CBDPDUVGNAGEOO-UHFFFAOYSA-N 298.798 4.543 30 10 CJEE C=CCC(C)(C)CNC/C=C/c1c(C)cc(C)cc1C 1658026291 WYZVMSHOTOPKBT-CMDGGOBGSA-N 271.448 4.817 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CCC=C 1671186793 FWRVIVYIQSIKTB-OAHLLOKOSA-N 286.419 4.672 30 10 CJEE C=CC1(CN[C@@H](C)C(C)(C)C(F)(F)F)CCCCC1 1878634659 PUANGZJDUMQVLL-LBPRGKRZSA-N 277.374 4.690 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1879417330 UCWRGIKLXHXAIK-JCECYMMASA-N 263.469 4.891 30 10 CJEE CC#CCCCC[C@H](NCC)c1cscc1C(F)F 1885229192 QTRWLDNVAGSNJK-AWEZNQCLSA-N 285.403 4.920 30 10 CJEE CCCCCCCN(C)C[C@H]1CCC[C@@H]1C(F)(F)F 1887038086 GBVINJBCLCCPIA-KGLIPLIRSA-N 279.390 4.867 30 10 CJEE CCCCN(C[C@@H](CS)CC1CC1)C1CCCCC1 1888763234 YDQGCSKORFLENG-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC(=O)C(F)(F)C1(OC)CCC1 1912532301 OAVGNIXDXNYEQG-UHFFFAOYSA-N 276.367 4.511 30 10 CJEE CCCCCCCC[C@@H](O)CCCNCc1ccccc1 1915222173 KEFHGVHZYBCNGY-LJQANCHMSA-N 291.479 4.668 30 10 CJEE N#CC1([C@]2(O)CCC3(CCCCC3)C2)CCCCCC1 1915921529 CXGGAPZLYGDCQA-SFHVURJKSA-N 275.436 4.716 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@H]1CCCC[C@@H]1CC 1919402162 OXXPONUKZGZIKL-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE C=C([C@@H](NCCC)[C@H](CC)c1ccccc1)[Si](C)(C)C 1922862874 MHEBFZYPDZGCQP-QZTJIDSGSA-N 289.539 4.982 30 10 CJEE CC(=NNCc1ccccc1)c1ccc(Cl)cc1Cl 1923705107 KAHYOKXLBZXNIV-UHFFFAOYSA-N 293.197 4.507 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H](C)C1CCCCC1 1924125776 OHODVOWATWEPQZ-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=C(CNc1cscc1Br)c1ccccc1 1925097296 BMULNKOSAUAMOI-UHFFFAOYSA-N 294.217 4.636 30 10 CJEE C[C@@H](N=C1N[C@H](CC2CCCCC2)CS1)C1CCCC1 1926707890 MLEDUSSBPIOENK-CZUORRHYSA-N 294.508 4.597 30 10 CJEE N#CCC1(CN(Cc2ccccc2)CC2CCCCC2)CC1 1931885497 HIBDPFKNBXKRIR-UHFFFAOYSA-N 296.458 4.763 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)c(Cl)s1 1934792667 NCIXQZIXNRRTTH-VIFPVBQESA-N 264.221 4.672 30 10 CJEE CCCCCCCOCc1cc(C)cc(Cl)n1 1944954780 NJHOHIWEUZEMQZ-UHFFFAOYSA-N 255.789 4.530 30 10 CJEE CC1(C)CCC[C@](C#N)(CC/C=C/Br)C1 1961328714 XJXDNQJYBVUEAP-QGQQYVBWSA-N 270.214 4.785 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccc(Br)cc1C 1996465713 CPISVNBNMSOAHQ-NHYWBVRUSA-N 296.252 4.620 30 10 CJEE CCCCCCCNc1c(N)ccc(Cl)c1Cl 1997360079 AWJIATFQAUXJMD-UHFFFAOYSA-N 275.223 4.958 30 10 CJEE C=C(C)[C@@H](NCC)c1cc(-c2cccs2)cs1 2000328622 ATMNXURVJHDJTG-CQSZACIVSA-N 263.431 4.703 30 10 CJEE C=CCCCCCNc1cccc(OC)c1Br 2000953139 DCPRXNDABSHDBW-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE C=CC[C@@H](C)C[C@@H](NCC)c1ccc(Br)cc1 2003684868 XPEVFOHPWZHHLD-IUODEOHRSA-N 296.252 4.702 30 10 CJEE CCC#CC[C@@H](NCCC)c1scc(C)c1Cl 2005831567 LXQQBRVWDVGHHA-GFCCVEGCSA-N 269.841 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](N)CCCSC 2026311223 YFLAGAQXXWBFLC-OAHLLOKOSA-N 257.487 4.764 30 10 CJEE C=CC[C@H]1CCCCN(C[C@@H](C)CC(C)(C)C)C1 2027014796 VEYYDSUCZGXPBS-HOTGVXAUSA-N 251.458 4.737 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC[C@H]2CCCC2(F)F)C1 2027619857 CHYUFRNSONPDSF-MCIONIFRSA-N 258.352 4.597 30 10 CJEE CCCCCCC[C@@]1(CN)[C@H]2CC[C@@H](C2)C1(C)C 2029600898 QOCXJQVICGXKCM-YQQAZPJKSA-N 251.458 4.748 30 10 CJEE CC1(C)CCC[C@]1(C#N)CC[C@H]1CCCC1(F)F 2032104498 PXJDOYZPCCRRDA-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC1(CNC(C)C)CC(F)C1 2035857764 MIFQVKGCVOPHMF-UHFFFAOYSA-N 257.437 4.853 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)C(C)(C)C1CCCC1 2040529219 ITZYESFPOYGHID-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE 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CC(C)(C)c1ccc(OCCCC#N)c(C(C)(C)C)c1 21513425 BMQJSEIEFLZHPY-UHFFFAOYSA-N 273.420 4.964 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccc(F)cc2)cc1 37935765 RNZVFTHXOHTTGJ-QGZVFWFLSA-N 282.362 4.800 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2ccccc2C)c1 57686768 UKPVXJCPIPMKTR-KRWDZBQOSA-N 279.383 4.770 30 10 CJEE CCCCCCCn1cc(CCC(=O)O)c2ccccc21 59089569 OYKPNQVZMXXUDX-UHFFFAOYSA-N 287.403 4.629 30 10 CJEE CCCCCCCCNc1ccc(C#N)c(Cl)c1 59213191 PXQAXYVJLAXZPU-UHFFFAOYSA-N 264.800 4.984 30 10 CJEE CCCCCCCNc1cccc(Cl)c1N(C)C 59471719 BHPZZWYCGNFTRB-UHFFFAOYSA-N 268.832 4.788 30 10 CJEE CC[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 61892172 SOJOSGWGLNZWEJ-UGFHNGPFSA-N 297.229 4.726 30 10 CJEE CCCc1oc(-c2ccc(C)c(Cl)c2)cc1C#N 77081179 FDKQDHCOZLUQON-UHFFFAOYSA-N 259.736 4.733 30 10 CJEE CCCOc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1 83193636 OXNOHAPISQIULL-ZHACJKMWSA-N 294.394 4.988 30 10 CJEE N#C[C@@]1(Cc2ccc(F)cc2Cl)CCCc2ccccc21 87930077 XHBNYHNJKSKXHF-SFHVURJKSA-N 299.776 4.819 30 10 CJEE CC(=O)c1ccc(Oc2c(C)cc(C#N)cc2C)c(Cl)c1 88155625 VQGAJVMYEKVVRF-UHFFFAOYSA-N 299.757 4.823 30 10 CJEE CCC[C@@H](Nc1cccc(F)c1C#N)c1cccs1 93396587 IYROGSZIYMGHAU-CQSZACIVSA-N 274.364 4.712 30 10 CJEE CC1=C(C(=O)c2ccccc2)Sc2cc(C)ccc2N1 95929942 YQOQDTRLTBCDCN-UHFFFAOYSA-N 281.380 4.627 30 10 CJEE N#Cc1cc(F)ccc1NCc1ccc(Cl)cc1Cl 97634874 ULVXLFXUKJLNPD-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](CC)c1ccccc1Br 107495628 MPJHTBYRRRYFAY-SWHYSGLUSA-N 283.209 4.510 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@@H]1c1ccccc1 109941161 QFFHWJVGBDFPCP-NXHRZFHOSA-N 259.437 4.881 30 10 CJEE CCCCCCC[C@@H](CN)N(CCCC)[C@@H](C)CC 110022533 VSUJKKRHTFTXHY-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE CCCCCCCCOC[C@H](O)c1ccc(CC)cc1 110023300 RKXLXAYQQQYAGN-SFHVURJKSA-N 278.436 4.660 30 10 CJEE N#Cc1cc(Cl)ccc1NC12CC3CC(CC(C3)C1)C2 110251184 DHZIRZQQMHDMII-UHFFFAOYSA-N 286.806 4.592 30 10 CJEE CC1CCC(N(C)c2ccc(C#N)c(C(F)(F)F)c2)CC1 110255039 CBDLOKLJXPTFFF-UHFFFAOYSA-N 296.336 4.592 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1 110261002 GBPYNKLHAVIQIA-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCCCO[C@@H](C)C[C@@H](C)NCCC 113534966 BWDKUMDZIHOTJM-CVEARBPZSA-N 257.462 4.530 30 10 CJEE Cc1cc(Oc2cc(C#N)cc(Cl)n2)cc(C)c1Cl 122568701 OYQUPHYDVLIEGW-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1OCCC2 127153486 MZTLXKFFIWTRME-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CCCCCCCC(=O)[C@@H]1CC2(CCCC2)CCC1=O 129707430 RXYLHRNKUSGQMV-HNNXBMFYSA-N 278.436 4.846 30 10 CJEE C=CCCCNc1cc(Cl)c(C)cc1Br 131739301 HSEOATCVZKMSFF-UHFFFAOYSA-N 288.616 4.789 30 10 CJEE CSc1cccc(Oc2ccc(F)cc2Cl)c1C#N 136713367 OOKYRFDRCOAEIT-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(Cl)ccc1Cl 156862442 UMWVZAGACXNUPO-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCNC1=N[C@]2(CCC[C@@H](C)C2)CS1 159404242 LYOFSZZNIGFTSN-WBVHZDCISA-N 296.524 4.988 30 10 CJEE Cc1ccccc1Oc1ccc(C(F)(F)F)c(C#N)c1 164494314 MKKYBXUOPSAFAU-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCCCCCC[C@H](O)c1cc2c(s1)CCC2 168205076 BEVLLAFLVMLRHX-ZDUSSCGKSA-N 252.423 4.631 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCC1)c1cccc(Cl)c1F 213695924 OVJTXOMRORUULP-CYBMUJFWSA-N 293.769 4.626 30 10 CJEE CCCCCCCCCCC(=O)C(C)(C)C(C)(C)N 226391070 XFIMKAQVYHASOR-UHFFFAOYSA-N 269.473 4.850 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1nccs1 228726251 PTIMWPDDASACLE-HNNXBMFYSA-N 282.497 4.934 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1OCC[C@@H]1C 228988568 XTKXFRXUHBGUIG-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCc2cccnc21 229818378 FPRAKLREJRTRTM-IAGOWNOFSA-N 274.452 4.579 30 10 CJEE C=CCCCCCOc1ccccc1CNCC(C)C 232634342 LBGPMZLEYKCBGU-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CCCCCCC[C@@H](N)c1cnc(C(F)(F)F)s1 232947045 XSGWCFQTCGXJKI-SECBINFHSA-N 280.359 4.522 30 10 CJEE CC1(CNc2cc(Cl)ccc2C#N)CCCCC1 233041751 HOHBAUZAFUPBBU-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE Cc1ccc2c(c1)C1(CCCCC1)[C@H](CC#N)CC2 260513213 HZXCKTIBXNICKP-INIZCTEOSA-N 253.389 4.673 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CC2CCC1CC2 311199862 HCYUHATUHAYWKS-VXLLPVPCSA-N 251.458 4.904 30 10 CJEE CC(C)CC[C@@](C#N)(Nc1ccccc1Cl)C1CC1 311495608 XGEQDJSUJTUVBB-INIZCTEOSA-N 276.811 4.860 30 10 CJEE C=C([C@@H](C[C@H](C)CC(C)(C)C)NCCC)C(F)(F)F 311497408 KVHKLUSCDAKXDX-WCQYABFASA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)CNCc1cc(Cl)sc1Cl 312582804 NDDSCGZBFRILJX-UHFFFAOYSA-N 278.248 4.747 30 10 CJEE Cc1cc(C)c(C[C@]2(C=O)CCC[C@@H](C)C2)c(C)c1 316615287 KFRVKTZOGGOMLI-ACJLOTCBSA-N 258.405 4.550 30 10 CJEE CCCCCCCCOC[C@@H]1CNc2ccccc2C1 380734917 LFJHNMIIZDISHY-INIZCTEOSA-N 275.436 4.648 30 10 CJEE CCCCCCCC(=O)c1ccc2cnccc2c1 380965160 XFTBPZIKFPZGPP-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCC(=O)[C@H](CC(C)C)C(=O)C1CC1 381663075 NPKNSVYSTHLOKK-HNNXBMFYSA-N 266.425 4.557 30 10 CJEE CCCCCCCCCCNCCCn1cc(Cl)cn1 383711528 CDYKJWSTHDOPSX-UHFFFAOYSA-N 299.890 4.657 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(F)c(Cl)c1 387459941 PJWICTHVFLFHEU-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE CC(C)CC[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394123729 YBYYAYWIIGYECO-ISXOHVOVSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1csc(Cl)c1 398060508 HBADSMIDCWWXFX-MNOVXSKESA-N 257.830 4.797 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(Cl)c(Cl)c1 398116404 PICMERDPDJALSX-LLVKDONJSA-N 272.219 4.828 30 10 CJEE CC(C)[C@H](C)CN(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 399682427 YCSTYNDYZYWEOD-YYIAUSFCSA-N 278.484 4.565 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@@H]1CCOC1)NC 401330417 DCECVCSDSITVPY-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1N 403884153 ZTAXJBWKZRINNB-BZUAXINKSA-N 281.484 4.538 30 10 CJEE N#Cc1ccc(F)cc1-c1cccc(Cl)c1Cl 514261126 NATNMWICQVHKTH-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C#CCCCCC[C@@]1(O)CCCC[C@@H]1c1ccccc1 686678887 YOGXGRYZCWTHNO-RTBURBONSA-N 270.416 4.659 30 10 CJEE C#CCCCCC[C@H](NCC)C(CC)(CC)C(F)(F)F 686689177 FHAHSOCPRMMLEO-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE C#CCCCCC[C@H](NCC)c1csc(C(C)C)n1 686701292 PZMMQPCXAVENKQ-AWEZNQCLSA-N 278.465 4.501 30 10 CJEE C#CCCCCCC1(CNC(C)C)CCC(C)CC1 686708711 NWOCWIBBDDMSPR-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CCc1ccc(CC)c(N=C2N[C@H](C(C)(C)C)CS2)c1 689610382 HTMOXXVNWZRTBN-HNNXBMFYSA-N 290.476 4.550 30 10 CJEE CCCCC1CCC(C[C@@H](C#N)C(C)C)(C(=O)O)CC1 691664419 HCULIKQRGCRXEJ-CKDBGZEDSA-N 279.424 4.624 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 692252717 FXCLUUMWXASXNR-ZBFHGGJFSA-N 263.812 4.565 30 10 CJEE CCCCCCC[C@@H](NCC)c1csc(COC)c1 699873687 YBLJKOIHSOKLLL-MRXNPFEDSA-N 283.481 4.906 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@@H]1CCCNC1 702301166 KAFAVIVGUCYBCL-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCN(CCC)CC1 707802671 BBZNAOALSLMZCU-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(Cl)cc(F)c1F 709178205 ZWZSVCDJBLDSQP-ZDUSSCGKSA-N 273.754 4.625 30 10 CJEE C[C@@H](CC(C)(C)C)CC1(C#N)Cc2ccccc2C1 709234767 KOLLPDQAVMWUKL-AWEZNQCLSA-N 255.405 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1Cl 709375864 JLQIKRDPTQZLIP-CZUORRHYSA-N 263.812 4.565 30 10 CJEE CCSc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 709992468 WPHGODOGJVETOF-LBPRGKRZSA-N 262.422 4.539 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 710614070 KLRGJZIQXSJSIH-XQQFMLRXSA-N 297.792 4.866 30 10 CJEE C=C(Cl)CC[C@H](CNCC(C)C)c1ccccc1 710622171 NXSJSEAFCOPKEX-MRXNPFEDSA-N 265.828 4.549 30 10 CJEE C=CC[C@@H](C)[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 715702968 FPTAVJFMRXFWCU-ONBNRTMESA-N 275.480 4.783 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)C)CCC(C)(C)CC1 715827068 FSNWOFMQFXOWEB-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCn1c(S)nc(C)c1C 716748947 IRAUCNTYJMNYEO-UHFFFAOYSA-N 268.470 4.929 30 10 CJEE C=CCCC(C)(C)Nc1nc(Cl)nc2sccc12 717600247 ZTIBQVMLLMLGFR-UHFFFAOYSA-N 281.812 4.501 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H](C)COCc2ccccc2)CC1 719182893 OECGKTHRAJQFEM-CVEARBPZSA-N 286.415 4.545 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 720811662 UARPRWBMCZYQQT-FQBRJNOBSA-N 278.436 4.510 30 10 CJEE CCCCCCCCCc1nc2c(s1)CC[C@H]2C(=O)O 720997738 FWMUXMSLRDREIB-GFCCVEGCSA-N 295.448 4.551 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C1CC1)[C@@H]1CCCOC1 723977512 CLXYZYPQYGPMGS-JQHSSLGASA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2C[C@H]2C2CC2)NCCC)CC1 724602675 MSTFFXSNOIBEMS-OTWHNJEPSA-N 275.480 4.927 30 10 CJEE CSc1cc2sc(C(F)F)cc2cc1CC#N 725295689 CIDCQMPOVZIQHJ-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C#Cc1cccc(NC(=O)C=C2CCC(C(C)(C)C)CC2)c1 1124681872 VIRDATLSUMRWKE-UHFFFAOYSA-N 295.426 4.769 30 10 CJEE C=CCC(CC=C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1130719908 JRFULKKFCHHJRT-UHFFFAOYSA-N 291.479 4.724 30 10 CJEE C=CCC1(NCCc2ccc(CC)cc2)CCCCC1 1175371185 CLVNAFMCVHXPCN-UHFFFAOYSA-N 271.448 4.660 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](Cc2ccccc2)C(C)C)C1 1183823250 QWNSCDGQYURBKG-BHIYHBOVSA-N 271.448 4.588 30 10 CJEE C=CCn1ncc2ccc(N[C@H](CCC)[C@@H]3CC3(C)C)cc21 1207696004 IAQMLLFEQLVODM-DLBZAZTESA-N 297.446 4.849 30 10 CJEE C=C(CC(C)C)C(=O)NCC1(Cc2ccccc2)CCCC1 1295791385 LIPJDGRXASBYBN-UHFFFAOYSA-N 299.458 4.508 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)NCC[C@@H](C)CCC 1313223283 DWZRCKYFWFCOGE-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc(C(C)C)c1 1354054210 FSIJZKWKZUHJDQ-UHFFFAOYSA-N 273.420 4.628 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 1435039343 FCAPGCWYCXUFTP-NEWSRXKRSA-N 299.458 4.506 30 10 CJEE C=CCC1(NC(=O)c2ccc(CC(C)C)s2)CCCC1 1437729467 NMFOFVYZCCZSBT-UHFFFAOYSA-N 291.460 4.565 30 10 CJEE C=C[C@H](CC(=O)N[C@H]1CCC[C@@H]1CCCC)c1ccccc1 1455968413 VOPMLSGARYNPJV-NEWSRXKRSA-N 299.458 4.821 30 10 CJEE C=CCC[C@H](C(=O)N(CC)CC(C)(C)C)c1ccccc1 1460400808 AONLGZYRQZCADR-KRWDZBQOSA-N 287.447 4.631 30 10 CJEE C#Cc1ccc(CNCC[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 1461476029 XSNCFLCAUUSPSE-VQIMIIECSA-N 283.459 4.610 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H](C)c1ccccc1 1461988059 LOAJTZNJFZJPJK-KRWDZBQOSA-N 271.448 4.858 30 10 CJEE C=C(C)[C@H](N[C@@H]1CC=C(C)CC1)c1ccc(F)c(F)c1 1462118168 ZVNSJZLCEQZQEW-PBHICJAKSA-N 277.358 4.670 30 10 CJEE C#CC[C@H](NCc1ccc(CCC)s1)c1ccccc1 1474075701 XILZXGTUALCIAL-SFHVURJKSA-N 283.440 4.555 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1520010499 BQWDHNHJYAUIMR-WNHJNPCNSA-N 297.442 4.636 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCCC1 1521703464 NRMMRWBSEIGCGY-YESZJQIVSA-N 289.463 4.598 30 10 CJEE C=CCC1(C(=O)NCC[C@H](C)CC(C)(C)C)CCCC1 1538644693 UKLNNYVGVBOMSO-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CCC)c1ccc(F)cc1F 1544608026 QWYLZMYKABPVAV-MLGOLLRUSA-N 295.373 4.525 30 10 CJEE C=CCCN1CCCCC[C@@H]1Cc1ccccc1Cl 1559869805 FHSRNGKOLBXZAB-MRXNPFEDSA-N 277.839 4.703 30 10 CJEE C#C[C@H](N[C@H](CCC)CCC=C)c1ccc(Cl)cc1F 1560825760 WUWAKTWEPASXNC-PBHICJAKSA-N 293.813 4.878 30 10 CJEE C=CCCCN(CC)[C@H]1CC[C@@](C)(c2ccccc2)C1 1561037735 RWQQHUBPBNCJEJ-RBUKOAKNSA-N 271.448 4.785 30 10 CJEE C=CC(C)(C)CC(=O)OCc1cc(Cl)ccc1Cl 1584765068 NPFLEZFNOVJTOB-UHFFFAOYSA-N 287.186 4.639 30 10 CJEE C=C(C)CN1CCC(Cc2ccc(C(C)C)cc2)CC1 1616972057 AOMPQPTUHDMSAM-UHFFFAOYSA-N 271.448 4.641 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1c1ccc(F)cc1 1621219706 IYRFADCUMHYCAK-GOSISDBHSA-N 273.395 4.546 30 10 CJEE C=C(CC)C(=O)N(CC)C(c1ccccc1)c1ccccc1 1621377580 KJGNBZVGUWMQCR-UHFFFAOYSA-N 293.410 4.591 30 10 CJEE C=CCCCN(CC)C(=O)[C@H](CC)CC1CCCCC1 1627341071 KESVSSNXFYBPDJ-QGZVFWFLSA-N 279.468 4.798 30 10 CJEE C=CCCc1ccccc1NC1C[C@@H]2CC[C@H](C1)S2 1652284692 CZJSPBPFYFJDMN-MQVJKMGUSA-N 273.445 4.644 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2snc(Cl)c2C#N)CC1 1655395173 BYIFEMLPRBCABD-MNOVXSKESA-N 297.855 4.685 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2cccc(F)c2F)o1 1657269839 JADIWYSJALROLS-LBPRGKRZSA-N 291.341 4.669 30 10 CJEE CCCCCCCN(C)[C@@H]1CC[C@@H](SCC)C1 1657412085 PZXJXYQPNJHAMC-HUUCEWRRSA-N 257.487 4.563 30 10 CJEE C=CCC[C@@H](NCCc1ccc(C)cc1)c1ccccc1 1658001334 SAFURUISIAFLTD-HXUWFJFHSA-N 279.427 4.835 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 1660082423 CEVJGSPGAAFOJQ-DZKIICNBSA-N 293.401 4.935 30 10 CJEE C#Cc1ccc(NC(=O)Nc2ccc(CC)cc2)c(Cl)c1 1675169695 WXQLBENEXMKXOD-UHFFFAOYSA-N 298.773 4.528 30 10 CJEE CCCCCCCCNC(=O)CCc1ccc(C)c(C)c1 1861871026 DNMXGKUDDJUZHO-UHFFFAOYSA-N 289.463 4.713 30 10 CJEE CC#CCCCC[C@@]1(CNC(C)(C)C)CCC[C@H]1C 1885265012 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CCCCCCC[C@@](C)(O)c1csc(CC)c1 1919905943 RRRGQXSPAZVQPF-OAHLLOKOSA-N 254.439 4.879 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc2c1O[C@H](C)C2 1919912391 JJBJZDVWJUNMMM-RDTXWAMCSA-N 276.420 4.578 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCCC)C(CC)CC 1920912716 QWYREWXDRMEVED-ROUUACIJSA-N 285.516 4.902 30 10 CJEE C[C@](O)(c1ccc(F)cc1Cl)C1(C#N)CCCCCC1 1921059017 FRFCVWLMNUYRNH-HNNXBMFYSA-N 295.785 4.551 30 10 CJEE FC(F)(F)c1nccn1CCCCCCCCCS 1921538371 GZZFTUIIMLALOP-UHFFFAOYSA-N 294.386 4.562 30 10 CJEE CC(C)(C[C@@]1(C=O)CCCC12CCC2)c1ccccc1 1921606324 RKKUFHDTDKGOHB-LJQANCHMSA-N 270.416 4.894 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)cs1)[Si](C)(C)C 1922869372 NXNKPJRSHGJRLA-CQSZACIVSA-N 267.514 4.531 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(O)ccc3Cl)C[C@@H](C1)C2 1925525450 CMGFKRZAAFKNJR-FUNVUKJBSA-N 277.795 4.592 30 10 CJEE Cc1cc(F)c(C(=O)C2=CC[C@@H](C)CC2)cc1Cl 1925864233 FLKHFJAFMLQVGN-SECBINFHSA-N 266.743 4.717 30 10 CJEE N#Cc1c(Cl)cccc1N(Cc1ccccc1)C1CCC1 1932006055 VZQIRAZZCWNMTE-UHFFFAOYSA-N 296.801 4.771 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(Cl)c(Cl)s1 1934792619 MPRHLEBXCGRNLN-JTQLQIEISA-N 264.221 4.672 30 10 CJEE CC#CCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 1939461253 OCOSFOCMRSNXNT-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(N)c1cccc(Cl)c1Cl 1949150483 QPRYJIHDXIPGOH-CQSZACIVSA-N 272.219 4.770 30 10 CJEE CCSCCC[C@@]1(C=O)CCCC(C)(C)CC1 1950918546 KLAYMVJMPBSCRX-HNNXBMFYSA-N 256.455 4.695 30 10 CJEE CCCCCCCCCCC[C@@H](N)CCCC#N 1952400037 YPPKEAIDEMCXNM-MRXNPFEDSA-N 252.446 4.928 30 10 CJEE C=C1C[C@@H]1CN(Cc1ccccc1)[C@@H](C)c1cccs1 1954407400 AIBYVPQRTIBITO-DOTOQJQBSA-N 283.440 4.887 30 10 CJEE C=C(COCc1ccccc1)C(=O)c1cc(C)c(C)cc1C 1959872901 FNVWKNHLOJKIGZ-UHFFFAOYSA-N 294.394 4.568 30 10 CJEE C=C1C[C@@H]1CCc1cc(Cl)c(C)c(Br)c1 1960648257 JBZRJIACYZYONS-NSHDSACASA-N 285.612 4.920 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H]1CCC[C@@H](CC(C)C)C1 1964567487 WHKNKTWQRNSXMR-YESZJQIVSA-N 251.458 4.926 30 10 CJEE Cc1csc(C(=O)C=C2CCCC2)c1Br 1974521625 RGBFKXSBEFFFSF-UHFFFAOYSA-N 285.206 4.502 30 10 CJEE Cc1cc(C(=O)C=C2CCCC2)sc1Br 1974523082 LAJDCXDNVHHCSC-UHFFFAOYSA-N 285.206 4.502 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1cccc(Cl)c1Cl 1975900810 GYVADIOKFBMQFX-NOZJJQNGSA-N 259.176 4.629 30 10 CJEE C=CC1(C[C@H](O)c2cc(Cl)sc2Cl)CCC1 1980025833 CMEYCYHCJOMZHQ-VIFPVBQESA-N 277.216 4.835 30 10 CJEE C=CCCCCOc1cc(C)cc(Br)c1C 1984520646 AAFDLJFDTDEPEY-UHFFFAOYSA-N 283.209 4.801 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1c(C)cccc1Br 1996469401 HYWZNABBWJBLST-WFASDCNBSA-N 296.252 4.620 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)C)CCCCC1(C)C 2005588102 BPMGMXWUWHFJOZ-HNNXBMFYSA-N 257.849 4.714 30 10 CJEE C=CCCCC[C@@H](NCCC)c1ccoc1Cl 2009481105 FOWRYGFORVJZFQ-CYBMUJFWSA-N 255.789 4.720 30 10 CJEE CC1(C)CC[C@]1(C=O)Cc1cc(Cl)ccc1Cl 2014849312 MFKRLRHQNYZBLU-CQSZACIVSA-N 271.187 4.541 30 10 CJEE CCCCCCCCN(C)C[C@@H]1CC[C@@H](C)S1 2019190252 LIRZZVPXNQLDCZ-CABCVRRESA-N 257.487 4.563 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cc(F)cc(Cl)c1 2040519394 PUQOBOQVGJJXKE-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE CCC(C#N)(CC)Cc1cccc(C(F)(F)F)c1 2046002674 PRLFNTWDESDRBJ-UHFFFAOYSA-N 255.283 4.578 30 10 CJEE N#C[C@]1(Cc2cc3ccccc3s2)CC=CCC1 2046419048 IVSLZPNDFZJDCY-MRXNPFEDSA-N 253.370 4.694 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 2053063328 NMPOVZZSAFAWOB-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE CC(C)(CC[C@@]1(C=O)CCCCC1(C)C)C1CC1 2053401243 QSRFCNUYCBDWFP-QGZVFWFLSA-N 250.426 4.988 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)CCC(F)F 2057777385 TXGONDJVYOOCKQ-NSHDSACASA-N 271.376 4.810 30 10 CJEE FC(F)(F)C1CCC(CCCCC[C@@H]2CO2)CC1 2059124274 SUZTVCFXCHTHFC-WXRRBKDZSA-N 264.331 4.704 30 10 CJEE C=CCCCC[C@@](C)(O)c1cc2ccccc2s1 2059154828 SLRVYQDROVAWNM-MRXNPFEDSA-N 260.402 4.855 30 10 CJEE Fc1c(C(F)F)cc(OC(F)(F)F)cc1C(F)(F)F 2060362200 RKQGSQYTKVSGIZ-UHFFFAOYSA-N 298.104 4.681 30 10 CJEE SCC1(CO[C@H]2CCCC23CC3)CCCCCC1 2063312634 BSWMUJJDGOWICI-AWEZNQCLSA-N 268.466 4.606 30 10 CJEE COC[C@@H](C)CC[C@@]1(C#N)CCCC(C)(C)CC1 2067336075 BBMWTRRFRWEMRR-HOCLYGCPSA-N 251.414 4.549 30 10 CJEE C=CCC[C@H](C)N(C)C[C@H]1CC[C@H](CCC)CC1 2072665910 WIESLVGQEPEQAF-ULQDDVLXSA-N 251.458 4.879 30 10 CJEE C=CC[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl 2074976858 VNHSEWMIIQOESM-AWEZNQCLSA-N 284.230 4.924 30 10 CJEE CC#CCCCC[C@](C)(N)c1c(Cl)cccc1Cl 2075404026 UKFKIDBQXMYXTF-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE C=CCCC[C@@H](CCC[C@H]1CC1(F)F)NCCC 2075455529 KRVFHKNOXFOZPJ-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 2077300492 GADMKUVCQUJKNY-HNNXBMFYSA-N 284.230 4.924 30 10 CJEE C=C(C)CC[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2080500140 QWPADRDYOOMSQG-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE CCCCC#CC[C@]1(O)CCC[C@H](C(C)C)CC1 2083385768 JMCVANJVJRDHBA-IRXDYDNUSA-N 250.426 4.538 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccoc1Cl 2083429416 ABCCMYOTZKUDOC-AWEZNQCLSA-N 267.800 4.557 30 10 CJEE C=CCCCCCC[C@@H](N)C(C)(C)CC(F)(F)F 2085842361 PXWKSGONDHABCD-GFCCVEGCSA-N 265.363 4.819 30 10 CJEE C=CCCCCCC[C@]1(O)CCC[C@@H](C2CC2)C1 2085914848 NPFACFHAMUPNFD-SJORKVTESA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@]1(C)C(C)C 2086280065 AXJVEVMURXLRKN-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C#CCCCCC[C@H](NC)c1ccccc1C(C)C 2087783690 YKWRMSJXVFAIIM-SFHVURJKSA-N 257.421 4.654 30 10 CJEE CC(C)N[C@@](C#N)(CCCSc1cccs1)C(C)C 2087810508 XXOJGVHWEYRCHT-OAHLLOKOSA-N 296.505 4.537 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2090811557 KHRPHXUKNONAMW-MCIONIFRSA-N 268.347 4.518 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(O)c1cccs1 2090846779 GUSPEEPIMUUNAM-MRXNPFEDSA-N 282.449 4.665 30 10 CJEE C=CCCCCCNCC1CCC(C(F)(F)F)CC1 2092606601 XAPJVCYWVGFSMK-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC[C@@H]1C)NN 2093410601 FKLAPRRPZVSHNS-YESZJQIVSA-N 268.489 4.785 30 10 CJEE C=C(C)CC[C@H](C)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 2096542402 MJZQKHGIROBEJQ-VIFPVBQESA-N 286.734 4.544 30 10 CJEE CCCCCCCCCNCC[C@@H]1OCCC1(C)C 2098013682 OAZOKGBXGWCYAB-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@]2(C1)CC2(F)F 2099957430 OPODKTKTUSJCDL-GJZGRUSLSA-N 273.411 4.905 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C)C2(C)CCCCC2)c1 2101364864 SZHRCFVJBAVVBH-CQSZACIVSA-N 256.393 4.638 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(N)c1ccc2ccccc2c1 2102100346 LFNHFCSOQYCQIS-RDTXWAMCSA-N 253.389 4.616 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2102130660 ZPZPQBLQLUOWRA-ZNMIVQPWSA-N 273.411 4.618 30 10 CJEE C=C1C[C@H]1CC1(CNCC(C)C)CCC(CC)CC1 2102472050 ZTLMVBAVSNNSIU-ADKAHSJRSA-N 263.469 4.785 30 10 CJEE C[C@H]1CCC[C@H](CNCCCCC(C)(C)C#N)CC1 2103265981 QOTAYMLGFDLIHK-HOTGVXAUSA-N 264.457 4.512 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2104943877 XUDYMXGPAOPOBO-ZWNOBZJWSA-N 290.350 4.705 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)C[C@@]1(C)C(F)(F)F 2105514332 RGOBQJFBERMMSB-OLZOCXBDSA-N 280.330 4.780 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CC12CCC(F)(F)CC2 2107074513 ATMYNYYPQWEGCS-CYBMUJFWSA-N 268.347 4.662 30 10 CJEE CCCCCCC[C@@](C)(O)CC(C)(C)[C@H](C)NCC 2111294416 ZZVKRJUAIUNMHF-DOTOQJQBSA-N 271.489 4.512 30 10 CJEE C=CC1(C[C@@H](CC2(CSC)CC2)NCCC)CCC1 2111720650 RHEQJFGCLCOSHF-HNNXBMFYSA-N 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HVQLFEKWPWNBNR-SFHVURJKSA-N 282.516 4.719 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(C)c(F)c1 233608130 SYICKQJUVVYYJE-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccc(Br)cc1 304559719 VOWSRXVTCIWWMH-FZMZJTMJSA-N 280.209 4.738 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCCC[C@H]1C 317221796 FWBMMJKXHOAMLD-SJORKVTESA-N 251.458 4.929 30 10 CJEE Cc1ncsc1CCC1(C=O)CCC(C(C)(C)C)CC1 317320279 OZBLFKRKGALQKB-UHFFFAOYSA-N 293.476 4.806 30 10 CJEE CCC1CCC(C#N)(Cc2cc(C)nc(Cl)c2)CC1 321278968 JOUFRSDEASYNGR-UHFFFAOYSA-N 276.811 4.696 30 10 CJEE CC(C)[C@H](Nc1ccc(C#N)c2ccccc12)C1CC1 323858536 FIXXRTUUPHBXGE-SFHVURJKSA-N 264.372 4.558 30 10 CJEE CC1(C)CCC([C@@H](O)C2(C#N)CCCCCCC2)CC1 380482037 AJKCQLIQKRSOHL-MRXNPFEDSA-N 277.452 4.818 30 10 CJEE CCCCCCCOc1cccc(CNCC)c1Cl 381410741 QEDLMMAEMDZFMT-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE C=C([C@H](O)CCCCCCCCC)C(F)(F)F 383429758 BPUJEWSZJPOUOS-GFCCVEGCSA-N 252.320 4.607 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)CC(C)(C)C)C1 384509435 GOCXYGNUXWEGDJ-VQHPVUNQSA-N 278.484 4.851 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc2ccccc2c1 384879458 TZZMOBCAKWSHIF-AWEZNQCLSA-N 253.389 4.703 30 10 CJEE C=CC[C@H](CNCCC)Cc1ccc(C(C)(C)C)cc1 387066081 XLAHKDZSBHUONP-KRWDZBQOSA-N 273.464 4.719 30 10 CJEE N#C[C@H](CSc1cc(Cl)ccc1Cl)C1CC1 397268612 WHJZJZFUXYJGFP-SECBINFHSA-N 272.200 4.635 30 10 CJEE Cc1ccc(C2=CC(=O)C[C@@H](C)C2)c2ccccc12 400138122 VAUHUIQGJQMDAP-LBPRGKRZSA-N 250.341 4.531 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@@](C)(O)c2c(Cl)cccc2Cl)C1 400929831 WEKSLKQWNKTZLP-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](C#N)Nc1ccccc1C 401501994 PGGVDEOVHNMMSK-INMHGKMJSA-N 256.393 4.516 30 10 CJEE CCCC1CCC(C=O)(CC=C(Cl)Cl)CC1 403456969 ZJRAMAUTBHOTNT-UHFFFAOYSA-N 263.208 4.871 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1)c1ccc(C#N)cc1F 512282523 VRUWQTVPWYTLTM-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(F)ccc1F 686697396 POXZICOMFHZDGY-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE CC#CCC[C@H](NCCC)C(CC)(CC)C(F)(F)F 690226050 HDITYPQPQYQQMI-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 692253354 RJHBNZJIARCNBW-WCQYABFASA-N 294.782 4.795 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC12CCCC2 692276422 WICVHFCCWOZPHX-IXDOHACOSA-N 261.453 4.824 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc(COC)c1 693433004 HDLMJGRHSKEUOT-SFHVURJKSA-N 277.452 4.844 30 10 CJEE CCSc1cccc(NC[C@@]23CCCC[C@H]2C3)c1C#N 693534547 MEEJUUXQDTXFRE-GUYCJALGSA-N 286.444 4.662 30 10 CJEE C=C(CC)C[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 695032065 JYPKXVPXFFESQQ-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE Cc1c(C(=O)C2=CCCCC2)ccc(Br)c1F 696070121 HXIKNMQBIPMLDE-UHFFFAOYSA-N 297.167 4.580 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCC[C@@H]3CC)C[C@@H](C1)C2 697305138 SWXHRDAHFKCZCB-GFHHTVLPSA-N 261.453 4.680 30 10 CJEE CCCCCCCC[C@H](N)Cc1csc(C2CC2)n1 698878844 NECMVOVDDKNJJZ-AWEZNQCLSA-N 280.481 4.641 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H]1CCCNC1 702301164 KAFAVIVGUCYBCL-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C=O)CCCc2ccccc21 703892258 MJCAIZZGTWILAS-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE CCC[C@H](C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708028416 BCSXRNUCWUZLNZ-GWCFXTLKSA-N 255.283 4.749 30 10 CJEE CCCCCCCCCCCCNCc1nocc1C 708413762 NSUOSEBDIHLBKN-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1cccc(CC#N)c1 709256596 SQOXBACBFRCCRP-ROUUACIJSA-N 270.420 4.769 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 710642730 CLENCVJLZFLFDS-ZNMIVQPWSA-N 271.876 4.817 30 10 CJEE N#CC1(C[C@@H]2CC[C@@H](C3CC3)O2)CCCCCCC1 715444762 ZVUOLKBIROELCU-HOTGVXAUSA-N 261.409 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(F)cc1Cl)NCCC 715723617 YWYTVPVNZJYKIM-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE CCCCCCCCNc1cnn(C2CCCC2)c1 722371212 QVKSGVIRAANVMA-UHFFFAOYSA-N 263.429 4.771 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H](C1CCCC1)C1CC1 723851971 IAELLYJEROFUMZ-INIZCTEOSA-N 274.795 4.592 30 10 CJEE C=C1CCC(C[C@@H](NCC)C(C2CC2)C2CC2)CC1 724587888 CLVFMXYJBXETGO-QGZVFWFLSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H](CCc2cccc(C)c2)NC)CC1 724617100 LOTCGXVWLFSQMV-LJQANCHMSA-N 271.448 4.652 30 10 CJEE CCc1c(CC#N)cc(C(F)(F)F)c2ccsc12 725303310 DVXYADACFVBMNK-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE FC(F)(F)Oc1ccccc1C#Cc1ccc(Cl)cc1 725381007 URMCAAMJNKHDQJ-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE O=C(/C=C/c1ccc(C(F)(F)F)[nH]1)c1cccc(Cl)c1 806565379 MFUSKCFZKYDUIL-GQCTYLIASA-N 299.679 4.583 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1cc(Cl)cc(Cl)c1 1124102483 OYUPXTVWBDCSKP-VIFPVBQESA-N 273.159 4.501 30 10 CJEE C#CCCCCCCN(CCc1ccccc1)C(C)C 1167216936 BKUHKPJTHUYRSK-UHFFFAOYSA-N 271.448 4.523 30 10 CJEE C#CC[C@H](NCc1cc(C(C)(C)C)oc1C)c1ccccc1 1178222860 APXFYPPRQAUDKL-SFHVURJKSA-N 295.426 4.740 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CC2CCC1CC2 1190984127 IFOUYFDLUGNESL-KVZIAJEVSA-N 275.480 4.881 30 10 CJEE C=CCOc1cccc(CN[C@H](C)c2ccc(F)c(C)c2)c1 1202604130 WUWLCZYXIAQGGA-OAHLLOKOSA-N 299.389 4.550 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccsc1C 1205639395 BMVOUBRGHFZOBT-UHFFFAOYSA-N 271.429 4.635 30 10 CJEE C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)CCCCCCC 1221270210 AZLDWZNADOQXRP-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc(C(C)(C)C)cc1C 1264104034 IJMFWYIAGLWWBL-GOSISDBHSA-N 274.404 4.800 30 10 CJEE C=CC[C@H](C)N1CCC[C@H](CCCc2ccccc2)C1 1307591856 CVCZWEFPQRPFOR-HKUYNNGSSA-N 271.448 4.686 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 1308382842 BXSJOPSQMRPDHT-MOIQIXESSA-N 289.850 4.920 30 10 CJEE C#Cc1cccc(CNCc2cccc(C3CCCC3)c2)c1 1308435105 GLQSQBXXKPPPJN-UHFFFAOYSA-N 289.422 4.615 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 1352561376 GLGXITYWKHDKIT-UHFFFAOYSA-N 281.355 4.774 30 10 CJEE C=CCOc1cccc(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c1 1356051351 IPVRIQGOJNCCKE-ZIAGYGMSSA-N 289.419 4.508 30 10 CJEE C#CCCCCCC(=O)Nc1ccccc1CCC(C)C 1357148598 OFCMWOZDOPOJFS-UHFFFAOYSA-N 285.431 4.797 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1ccccc1)CC(C)(C)C 1359984237 KIXXGIDKJISLQN-UHFFFAOYSA-N 287.447 4.664 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C(\C)c1ccccc1 1459419500 UZGHOEPRFLXNFS-FOCLMDBBSA-N 291.394 4.847 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1CCCCCCC1 1460842974 DUWNZKBHCNKERQ-LJQANCHMSA-N 299.458 4.651 30 10 CJEE C#Cc1ccc(CN2CC(C)(C)C[C@H]2c2ccccc2)cc1 1462368954 CCUBFMVPFNZJFT-FQEVSTJZSA-N 289.422 4.641 30 10 CJEE C=CC[C@H]1N(C(=O)NCCC(C)(C)CC)CCCC1(C)C 1471035838 YGWKKPXFIBXTBI-OAHLLOKOSA-N 294.483 4.589 30 10 CJEE C#CCCCCCCSc1ccc(Cl)cc1C#N 1472997008 CBCIYNCQSHNYQT-UHFFFAOYSA-N 277.820 4.887 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(CC)cc1C(C)(C)C 1523547422 GWDXBHGQXUOLCI-UHFFFAOYSA-N 274.404 4.808 30 10 CJEE C=CCCCN(CC)[C@@H](CC)c1ccc(F)cc1F 1560204668 UOMNYFGDEHWCDF-INIZCTEOSA-N 267.363 4.704 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)[C@H]1CCCC[C@@H]1C 1560963611 SXPDMYBOQLQGDG-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCC1(C(=O)NCc2ccc3sccc3c2)CCCC1 1583059792 OHTVUGPWYADRSE-UHFFFAOYSA-N 299.439 4.654 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H](C)C1CCC1)c1ccccc1 1598379264 FNEPXEDPIQOEOJ-QAPCUYQASA-N 285.431 4.636 30 10 CJEE CCCCCCCN1CC[C@@H](C2CCCCC2)C1 1619923649 XMZBIYSVKUIDKL-QGZVFWFLSA-N 251.458 4.859 30 10 CJEE C=CC[C@@H]1CCN1Cc1ccc([C@H](C)C(F)(F)F)cc1 1620648775 CRPPPFFBOACKIK-SWLSCSKDSA-N 283.337 4.503 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(F)cc2C)c1 1620844761 IVROMIYKRFNAAU-UHFFFAOYSA-N 285.362 4.701 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)cc2C(C)(F)F)CCC1 1624791076 LDXNEEVNCCLJJB-UHFFFAOYSA-N 297.320 4.622 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1627249834 SGFROTBJXCJIKB-YESZJQIVSA-N 291.479 4.796 30 10 CJEE C=CCCCN(Cc1cccc(C)c1)Cc1ccco1 1644804146 KQIWDDSPMSTBOQ-UHFFFAOYSA-N 269.388 4.556 30 10 CJEE C=CCCN(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1647822087 OFVNTLYPOWXLSA-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE C=C(C)CCN(C1CCC(C(C)(C)C)CC1)[C@H](CC)CO 1647856357 GKTPQIJSUBDNQT-LXPRWKDFSA-N 295.511 4.630 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cccc(CC)c1O 1652361583 JAGMCGYKZXJUTK-UHFFFAOYSA-N 295.426 4.533 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(C(C)(F)F)cc1 1652548704 OIUOBJRVHBXBTB-HNNXBMFYSA-N 267.363 4.633 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ncc(Cl)cc1Cl 1654215397 OGUZSHDTUPHDTH-SMDDNHRTSA-N 299.245 4.613 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C3CC3)c(C#N)c2)C1 1656852346 RRJPHWHJZOFOQM-CZUORRHYSA-N 266.388 4.592 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1ccc(CCCCC)cc1 1657809048 XYVZPXKRDOSFKT-UHFFFAOYSA-N 288.435 4.849 30 10 CJEE C#C[C@@H](N[C@@H](CC)Cc1ccc(Cl)cc1Cl)C(C)C 1658042475 DBQBRWSETHFZTC-GOEBONIOSA-N 298.257 4.562 30 10 CJEE C#CCCCCCCNc1cc(C)c(C)cc1Cl 1658159503 HABHGJWLFGCWRJ-UHFFFAOYSA-N 263.812 4.952 30 10 CJEE C=CCCCCCN1CCN(C2CC2)c2c(C)cccc21 1658304927 ZMIJFHQVVDCNDA-UHFFFAOYSA-N 284.447 4.530 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccccc2CC(F)(F)F)C1 1658519025 XFIFSMHYXJWYFK-CQSZACIVSA-N 297.364 4.580 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(OC)cc(OC)c1C 1658980501 CZJGHTCIECPFDL-AWEZNQCLSA-N 277.408 4.559 30 10 CJEE C=CCC1(CNC2CC(c3ccc(C)cc3)C2)CCCC1 1659780510 JRPVHBKYBOWEID-UHFFFAOYSA-N 283.459 4.967 30 10 CJEE C=C(CC)CNC(=O)Nc1c(CCC)cccc1C(C)C 1660812128 HCNSCWGVXCPNGL-UHFFFAOYSA-N 288.435 4.850 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(CC(C)C)nc1 1662857987 XCQULILOBYFZDJ-IEBWSBKVSA-N 286.463 4.505 30 10 CJEE C#Cc1ccc(CNc2cccc([C@@H](C)CC)c2)cc1 1662907561 IQEHDUULVPHOQX-HNNXBMFYSA-N 263.384 4.794 30 10 CJEE C=C1CCN(Cc2ccccc2-c2ccccc2C)CC1 1663699685 CJMPYWUGPSKMMF-UHFFFAOYSA-N 277.411 4.814 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](C)[C@H]1CCC 1687503523 WJENNTOJBYEYII-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE N#Cc1cccc(Cl)c1-c1ccccc1C(F)(F)F 1848368262 AZZSKITWPNCMJH-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE CC#CCCC[C@]1(CNCC(C)C)CCC[C@@H](C)C1 1879645134 UKMGSJPHJWYRAD-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE C=CCCCC[S@@](=N)(=O)c1ccc2ccccc2c1 1879722137 AFGYJPIURFKQGK-LJQANCHMSA-N 273.401 4.602 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CCC[C@H]1C 1880996147 YTJLIBYUGHWLJE-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE C=CCN(Cc1ccccc1)CC1(C(C)C)CCC1 1881203351 ZWMLVPWHKQKDDL-UHFFFAOYSA-N 257.421 4.501 30 10 CJEE CCCCCCCCCCN1C(=O)C[C@]1(C)C(C)C 1883819720 PGAJODCSKNGCQI-QGZVFWFLSA-N 267.457 4.774 30 10 CJEE 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4.552 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H](O)CC(CC)CC 2207428462 AHXSTALRJHLVPN-ROUUACIJSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@](O)(CC)[C@H]1CCOC1 2207429167 GPHZKIVXIQNNRP-ZWKOTPCHSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NN 2207432425 OWMOKQHUECCHEW-KURKYZTESA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]2CC[C@@H]2C1 2207440642 DTDHSWPPGHTXRE-MHORFTMASA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCC)c1ccsc1C 2207451760 CUZQPGBEGVTEAZ-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE CCCCCCCOc1cc(Cl)cc(OC)c1 2213503497 VPHWNROITWNUKK-UHFFFAOYSA-N 256.773 4.698 30 10 CJEE C=C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C1CC1 2216174160 ZTXALMXJXSHNGO-XPTSAGLGSA-N 270.203 4.609 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@]1(C)CCCSC1 2220092217 KVSIMXBUGPYLQX-HOTGVXAUSA-N 270.482 4.797 30 10 CJEE SCC1(COCCCCC2CC2)CCCCCC1 2222874723 QJNYVKXWTINUEN-UHFFFAOYSA-N 270.482 4.854 30 10 CJEE CCCC#C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2225437234 UDBDYCIAHXWGAH-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CNCC(C)C 2225683993 ISKQZJDKBSAHHM-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CCCCCCCCCNc1cnn(C(C)(C)C)c1 2225719321 JVAQEFBBYWGAAA-UHFFFAOYSA-N 265.445 4.801 30 10 CJEE CCC(CC)(CS)CN(C)C1CCC(C2CC2)CC1 2225946026 BTDBHSNOFCBJQS-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCC[C@@H](C)O1 2226889575 XYFYUXQQQLPGRX-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCCC[C@]1(CNC)C[C@H]2CC[C@H]1C2 2227271848 MHIVNAGRIUXUFD-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCC[C@@H](NN)C(C)(C)C1CCC1 2227285098 TZSFKVGEFWWETC-MRXNPFEDSA-N 266.473 4.561 30 10 CJEE CCCCCCCCCCOCCCN[C@H](C)CC 2231021224 YWAJFFRMEBTSOB-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCOCCC1CC(N)C1 2231076646 QEQHJGHRMUQYBW-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE N#Cc1cnccc1SCCCCCCCC1CC1 2231083534 XCQDAZKLAPCIPV-UHFFFAOYSA-N 274.433 4.796 30 10 CJEE CCCc1ccc(C#CC(=O)c2csc(Cl)c2)cc1 2231225788 LAOHWMCAKBBGOK-UHFFFAOYSA-N 288.799 4.588 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1cc(F)ccc1Cl 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XPELLIQJFZNBRH-WBMJQRKESA-N 275.779 4.561 30 10 CJEE NC1(C#CC2CCCCC2)CCCCCCCCC1 2273983104 UVLFJEXNWKFGEV-UHFFFAOYSA-N 261.453 4.792 30 10 CJEE CCCCC1CCC([C@H](N)C#CC2CCCC2)CC1 2274071023 CZNGQQHPEVRXPQ-DAWZGUTISA-N 261.453 4.504 30 10 CJEE CN[C@@H](C#CC1CCCCC1)CCC1CCCCC1 2274074009 QVAFUOLKWHRGTI-GOSISDBHSA-N 261.453 4.519 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@H](O)CC#CC1CCCC1 2274118634 VGTNIEXPRDIDQV-MRXNPFEDSA-N 297.225 4.919 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1=CCCCC1 2277194437 BLHDCABOJGEHJA-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=CCCCC[C@@](C)(OCCCN)[C@@H](C)CC(C)C 2277270591 KKFGQLOCBTWJJG-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@@H]1C)OCCCN 2277319101 AKDHLGAIYLHTIU-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CC1(C)C[C@@](C#N)(CC[C@H]2CCCCC23CC3)CCO1 2279739809 XTCJFSFYVDXRPQ-NVXWUHKLSA-N 275.436 4.836 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC2=CCCCC2)C1 2281209733 UQLAAJOLBXRALH-NXHRZFHOSA-N 274.452 4.527 30 10 CJEE CN(CC[C@H]1CCCC12CC2)c1ccc(C#N)cc1Cl 2281423437 WBCXQENUBWNQLW-CQSZACIVSA-N 288.822 4.618 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)C[C@H]2CCCC[C@]2(C)C1 2284090414 DYIGPVGUTBQDBE-QRQLOZEOSA-N 273.464 4.670 30 10 CJEE CCC[C@H]1CCC[C@H](NCC=CC#CC(C)(C)C)CC1 2284182913 KKPIFEVCGNPITF-ROUUACIJSA-N 275.480 4.931 30 10 CJEE CCNC[C@@H]1CC[C@@H](CC)C[C@H]1CC#CC1CCCC1 2289875254 PYMIIHIIZMMQSS-QRQLOZEOSA-N 275.480 4.622 30 10 CJEE Cc1cccc(C#N)c1NCC1CC(CC(C)(C)C)C1 2290065427 GSKMDSZRDBITIS-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1cc(C)cs1 2292651635 BUEMDBAXCDSRGR-MRXNPFEDSA-N 295.492 4.990 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)C1CCCCC1 2292722390 NOYJRWLXQMTJDT-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@]1(C)CC1(C)C 2292765262 CYEZOTBHKQFRKY-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@H]1CCCC[C@H]1CC 2293575407 XMYBHCMZZRPDPA-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(CC[C@@H]1C[C@@H]1C)OCCCN 2293767554 MTBWLQAZBOHQAM-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](CCC(C)(F)F)OCCN 2294148972 RLRNKOQWPDWUDW-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE CN[C@H](C#Cc1ccccc1Cl)CC1CCCCCC1 2295221808 MXEOSJUSHQPHLY-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCC[C@H]1CCC[C@](N)(C#Cc2ccccc2Cl)CC1 2295227321 UGEAFLKCXBTKPS-MAUKXSAKSA-N 289.850 4.769 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@H](C)CN[C@@H](C)[C@H]1C 2295539900 ZZQYZYXSAMZDBU-XWTMOSNGSA-N 282.516 4.586 30 10 CJEE CCCCCCCCC[C@@](C)(OC[C@H]1C[C@@H]1C)C(=O)O 2295595965 GCKBGRRVSVMDFF-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1OCCC1(C)C 2295677361 BTKLVXQRIIZFGU-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1csc(C)c1 2295680295 XTVMWCBEAYQMIJ-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE CCCCCCSc1ccc(CNCCC)cc1C#N 2295827483 ZRVFSAGGDIMQQW-UHFFFAOYSA-N 290.476 4.730 30 10 CJEE C=CCC[C@@H](C)N(C)CCCCCCCCCCCN 2296286882 PTLGXQUZAYGBEM-GOSISDBHSA-N 282.516 4.743 30 10 CJEE O=C(C=CNc1cc(Cl)cc(Cl)c1)c1cccs1 2297369116 ORVLYWHRAQSADF-UHFFFAOYSA-N 298.194 4.863 30 10 CJEE C[C@H]1CC[C@H](CSC[C@H](CS)CC2CC2)CC1 2298954746 KJGKHCRVDIZPFZ-QEJZJMRPSA-N 272.523 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(C)c1Cl 2304131936 IPIJIWDTDLTFCT-GJZGRUSLSA-N 252.785 4.674 30 10 CJEE CC(C)(CS)COCc1cc(F)c(Cl)cc1Cl 2306233405 FTQCYDHZIRDHJW-UHFFFAOYSA-N 297.222 4.605 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21 2312622837 DEZQZBFVMPEQNR-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)CC[C@H]1NCCC 2313531660 MFWRURYDQKPPPR-ZJIFWQFVSA-N 269.498 4.631 30 10 CJEE C=CCC(CC=C)S[C@@H](CN)c1ccc(Cl)cc1 2313645657 RNSZDTBJGIFZEJ-HNNXBMFYSA-N 281.852 4.594 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cc2cscc2s1 2315456633 UTULTXPZSFTDHL-SMDDNHRTSA-N 277.458 4.797 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cccc(Cl)c1Cl 2315491148 KNMBHLZNMNTRDO-FZMZJTMJSA-N 284.230 4.828 30 10 CJEE C#CCCN(Cc1ccc(Cl)c(Cl)c1C)C(C)C 2316857391 WGAWXUYZARPJGX-UHFFFAOYSA-N 284.230 4.536 30 10 CJEE C=CC[C@H](CNCC(C)C)CC1CCCCCC1 2316936830 GUXBPGLMIOFWKD-KRWDZBQOSA-N 251.458 4.785 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Cl)cc1CC 2319287557 XTWRFSKIEOLLRP-INIZCTEOSA-N 265.828 4.909 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(F)c1F 2319289282 RFEXRGKTFVHHII-LBPRGKRZSA-N 273.754 4.625 30 10 CJEE CC[C@H]1C[C@@H]1CCOCC1(CS)CCCCCC1 2320349692 COTAHIRSIZISTA-GJZGRUSLSA-N 270.482 4.710 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)cc1F 2321132677 AEHDDLXWAWVFIZ-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)C(=O)c1nc(C)c(C(C)(C)C)s1 2321145408 PNGLCHQBVNZNJA-UHFFFAOYSA-N 265.422 4.534 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C)c(Cl)cc1F 2321225376 PKTODEYOZMFYQW-LSDHHAIUSA-N 270.775 4.813 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1C[C@H](F)C1 2327358235 YBOKDYQJWHRCBD-WKILWMFISA-N 255.421 4.583 30 10 CJEE C#CC[C@@H](C)C[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2327978353 MYKAFEDLLIYVRX-BMIGLBTASA-N 284.230 4.525 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2329801994 PYHGMYOSRLELOD-ZSAUSMIDSA-N 267.363 4.778 30 10 CJEE Clc1ccccc1CON=C(c1ccccc1)C1CC1 2330296185 QXWJTZNGYITGAT-UHFFFAOYSA-N 285.774 4.671 30 10 CJEE C=C1CC(C[C@@H](NC)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1 2331379225 OQTONKIZDZCGSA-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCC(F)(F)[C@H]1NC 2335095946 HWXTVHIDGWRBFQ-MJBXVCDLSA-N 291.451 4.630 30 10 CJEE CCCN[C@H](C#CC1CC1)c1cc2sc(C)cc2s1 2337422930 UOGXMRDVPDOSED-CYBMUJFWSA-N 289.469 4.725 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1c(Cl)cccc1Cl 2337531353 LDGWHWWNUDHLTJ-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE CC(=CC[C@]1(C=O)CCO[C@H](C)C1)CCCC(C)C 2338451523 CVOHESLCSBSLCF-SJORKVTESA-N 266.425 4.533 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC 2338665962 LVKQHKQPCVZNJP-BZSNNMDCSA-N 263.469 4.663 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCCC(=O)O 2340493925 DSYMBZGDDFXZLX-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CCCC2=CCCCC2)C1 2341040962 KBWLJDLPNGSAEY-IAGOWNOFSA-N 261.409 4.756 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C(C)(F)F)cc1 2344341269 AJMFAIFQXNOQHS-CQSZACIVSA-N 267.363 4.661 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2344371656 LXIAABDDEOUMJQ-LEUOFYLZSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1CC2(CC(C)C2)C1 2344372193 PXQKOHOQWOIQDD-PGOFZRONSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CC[C@@H]2C[C@@H]2C1 2360129916 UYHPJFNELFPIKQ-XDNAFOTISA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@H](O)C1(C)C 2360179748 LNOKGVBIFYFPMB-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)[C@@H](C)CC1CC1 2360369361 VJFSBNCFHKVMCQ-WMLDXEAASA-N 284.440 4.643 30 10 CJEE CCC/N=C(\N)SCc1c(C)cc(C(C)(C)C)cc1C 7665303 ZLIBGSSDQIUIJS-UHFFFAOYSA-N 292.492 4.559 30 10 CJEE CCN(C1CCCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 35766046 TWWVZAXEVBMGPC-XYJFISCASA-N 290.495 4.996 30 10 CJEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1ccc(F)cc1 37089344 PTOYZWWGJNPPGL-MRXNPFEDSA-N 286.325 4.708 30 10 CJEE Cc1cc(C)c([C@H](C#N)Cc2ccccc2C)c(C)c1 57741649 UCTJXVNJGAFHHM-SFHVURJKSA-N 263.384 4.770 30 10 CJEE CCCCCCC[C@H](C)NCCc1cccs1 59089924 HPDDJUAZTKSBTA-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)ccc1F 59277396 KGZZQWRJHLIVKQ-HNNXBMFYSA-N 255.352 4.586 30 10 CJEE CCCCCCCN[C@@H](CC)c1ccccc1OC 59434618 IZLFFKHJMCKSRR-INIZCTEOSA-N 263.425 4.706 30 10 CJEE N#Cc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 59514109 KUBQFZWGSPTWOT-GIJQJNRQSA-N 275.138 4.616 30 10 CJEE Cc1cccc(Cc2nc(-c3cccc(C#N)c3)cs2)c1 62938320 VMMVEZYZWZDDBY-UHFFFAOYSA-N 290.391 4.581 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1cnc2ccsc2c1 68691869 CFRNSJLJAAUUTI-GFCCVEGCSA-N 293.395 4.650 30 10 CJEE Cc1cc(C)c(C)c(Oc2cccc(Cl)c2C#N)c1 70139524 ZPELWWWFAHDPIW-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE C=CCCC[C@@H](N)C1(c2ccccc2)CCCCC1 71277415 KTMUXBDPNJLEQR-QGZVFWFLSA-N 257.421 4.572 30 10 CJEE CCCCn1c(Cl)c(C#N)c2ccc(Cl)cc21 71466462 ZZKHZWOQBVYFNI-UHFFFAOYSA-N 267.159 4.620 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Nc2ccccc2C)CC1 86914208 WDHSQACXAQWPGJ-DOTOQJQBSA-N 256.393 4.660 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87996889 YDZJYNLOLRGPIY-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE Cc1cc(C)c(C[C@@]2(C#N)CCc3ccccc32)c(C)c1 87998070 HXCZIRINNJZVSG-HXUWFJFHSA-N 275.395 4.562 30 10 CJEE CC1CCC(C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)CC1 91884106 YTLOJRCSSLOKQZ-CIQACWJJSA-N 298.213 4.747 30 10 CJEE C[C@@H]1CCc2ccccc2N1CC1(CS)CCCCC1 94578493 JPJJDKVBSSOOAQ-OAHLLOKOSA-N 289.488 4.708 30 10 CJEE CC(C)(C)[C@H](CS)COc1ccc2ccccc2c1 94583105 FGRMMAFBMVFXQN-HNNXBMFYSA-N 274.429 4.811 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc2ccccc12 97208639 IJVJQTJIFHCTES-GOSISDBHSA-N 253.389 4.847 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1CCC(F)(F)CC1 97419558 YPINWPMXAKGOJK-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C[C@@H]1CCCN(CCCCCCCCCS)[C@@H]1C 97799082 UPPOSYJTTXLNNW-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE CCCCCCCNC[C@H](CC)Oc1ccccc1C 100027233 OCQQATXGQSHQGB-KRWDZBQOSA-N 277.452 4.712 30 10 CJEE C=CC[C@@H](C)c1cc(C)c(C)cc1Br 107479903 TYGSAKPEPOCXGM-SECBINFHSA-N 253.183 4.746 30 10 CJEE C#C[C@H](C)Cc1ccc(Oc2ccccc2)cc1C 107617768 HISAKGGNUWHDGQ-AWEZNQCLSA-N 250.341 4.599 30 10 CJEE CCCCCCCO[C@@H](c1ccccc1Cl)[C@H](C)N 109987549 UDPKLKVQAIFJSK-XJKSGUPXSA-N 283.843 4.715 30 10 CJEE CCCCCCCCO[C@H](c1cccc(F)c1)[C@H](C)N 109988768 ZDWMUCTVEFSZAH-YOEHRIQHSA-N 281.415 4.591 30 10 CJEE CCCCCCCOCCN[C@@H](C)CCCCC 110240042 XNYUEBCRPMFSJQ-INIZCTEOSA-N 257.462 4.532 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 110260815 BPKXXQAJVOMOHN-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCCCCCN1CCC(CNC2CC2)CC1 110326193 CEIGEAMFRIEWTO-UHFFFAOYSA-N 294.527 4.591 30 10 CJEE CCCCCCCCC(=O)C1(COC)CCCCC1 115328510 GPQQXQWAJFIPMA-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc2c(c1)OCO2 115652096 JRLVZSCSQGCREZ-INIZCTEOSA-N 292.419 4.980 30 10 CJEE CCCCCCCCCCCCS[C@@H](C)CN 116951479 IQSHTJXDDKWKRD-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](CC)OC 124449515 VKYWCHIARGFKBW-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCN[C@H](C)c1ccc(O)cc1O 129281584 MBKGTHPREWFJQQ-OAHLLOKOSA-N 293.451 4.889 30 10 CJEE COc1cc(C#N)ccc1N[C@H]1CCCC[C@H]1C(C)(C)C 129905345 PXJLHIUIKWIVOS-CABCVRRESA-N 286.419 4.584 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)OC)NCCC 134492668 JVJSSSKKXWDYQT-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@@H](C)OC 135556551 KIWPGWJMSMOTLS-CVEARBPZSA-N 258.446 4.693 30 10 CJEE CCCCCCCCCCCCOCCCC(=O)O 143192109 DIVRKVCEAUOGDP-UHFFFAOYSA-N 272.429 4.789 30 10 CJEE CCc1ccc([C@@](C)(O)C2(C#N)CCCCCCC2)cc1 156793838 WVQMMKLFSBGUJQ-GOSISDBHSA-N 285.431 4.711 30 10 CJEE C[C@@H]1CC(Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)C1 157920420 SOIHEBSGGZXFGQ-BVUQATHDSA-N 296.336 4.814 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1 158920698 NKRKVHIABLKAOG-QGZVFWFLSA-N 294.508 4.564 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@](C)(CC)OC 163435831 JJWLFULOAZYJAK-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(F)c(F)c(F)c1 164538647 HJHRZSVVGWUBGF-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE C[C@@H](NCCCC(C)(C)C#N)c1ccc2ccccc2c1 181489134 LXMZVGZMSFPMBZ-OAHLLOKOSA-N 280.415 4.820 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1Cl 185231030 OEIQWTDFRRDJPE-BBRMVZONSA-N 291.822 4.606 30 10 CJEE Cc1ccccc1/C=C\C(=O)c1ccccc1Cl 213947235 FSNJFWDFZOFNER-KHPPLWFESA-N 256.732 4.545 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)c1cc(F)cc(C#N)c1 227617056 BETSPEJPDWTIMJ-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NC)c2cc(C)ccc2O1 229266959 XTUBLCMCSREQJX-WBVHZDCISA-N 275.436 4.767 30 10 CJEE CCC(CC)CNc1ccc(C#N)c2ccccc12 232863894 PXXOSRJVIMEAKN-UHFFFAOYSA-N 252.361 4.560 30 10 CJEE CCCCCCCOc1cccc([C@@H](CC)NC)c1 232952420 XNTGBIKKOBWCFS-QGZVFWFLSA-N 263.425 4.706 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 233284928 RJCRXNOVHURRGH-ZWNOBZJWSA-N 255.283 4.749 30 10 CJEE C=CCCCCC[C@H](NC)c1sccc1CC 234155340 AGVQSRLGBSUGSJ-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE C=CCCCCC[C@@H](O)c1sccc1Br 236550534 MZWFSQFPCBQURE-LLVKDONJSA-N 289.238 4.681 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1ccc(C(C)(C)C)cc1 251869197 UGFRTJZBPXKDOD-QZTJIDSGSA-N 284.447 4.813 30 10 CJEE N#CC1(CNc2ccc(C3CCCCC3)cc2)CCC1 258839474 FAHXWCCBKSWRIH-UHFFFAOYSA-N 268.404 4.840 30 10 CJEE CC(C)(C)C[C@@H](C#N)COc1ccccc1C(F)(F)F 260225884 FULPDQDFLKFKIA-NSHDSACASA-N 285.309 4.660 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1csc2ccccc12 311533981 YPXKIIABHOGHHG-HNNXBMFYSA-N 271.429 4.601 30 10 CJEE C=CCCCCCCN[C@@H](C)CCc1ccccc1 312086061 WOQNFPQHAOWBHN-KRWDZBQOSA-N 259.437 4.734 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(N(C)C)cc1 312371212 CMWRAGJRSZEERQ-INIZCTEOSA-N 274.452 4.540 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CCCCC2(F)F)C1 317001771 RACBTRYAVXUTRT-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2sccc2Cl)C1 317327606 PTMSQQPTGBPELY-FZMZJTMJSA-N 270.825 4.730 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCC2(F)F)C1 317334654 QOVARDSSTKZIRY-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE CC(C)CC[C@H](NCC1CCC(C#N)CC1)c1ccoc1 353592040 ZNVPZYNFCPAAAS-HTWSVDAQSA-N 288.435 4.676 30 10 CJEE CCC(=CC(=O)c1ccc(OC2CCC2)cc1)CC 385536061 UZJKDVYVYVFDLS-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE CCCCCCCC/N=C1/N[C@@H](C2CCCCC2)CS1 386105807 JGIKQHJUDCDCIA-MRXNPFEDSA-N 296.524 4.988 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)CC(C)(C)c1ccccc1 393817913 ZPYRYRSIFWVPRC-DOTOQJQBSA-N 259.437 4.687 30 10 CJEE CCCC1CCC(C#N)([C@H](O)C2(C)CCCCC2)CC1 394755372 QMOVGIAJSPQIGT-UPTPFMHGSA-N 277.452 4.818 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCCCC1)c1ccccc1Cl 397208991 VNXQRUOAKHPOJP-DZGCQCFKSA-N 290.838 4.711 30 10 CJEE Cc1scc(C(=O)[C@H](C#N)c2ccccc2Cl)c1C 399760370 DPUFAYIWUOBDFN-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N 403884154 ZTAXJBWKZRINNB-HRCADAONSA-N 281.484 4.538 30 10 CJEE C=CCCc1ccccc1NC(=O)N1[C@@H](CC)CC[C@H]1C 505063188 YICSCSASVWTIQB-ZBFHGGJFSA-N 286.419 4.600 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2ccccc2C)o1 538170546 BHAAIMQLKDTANM-ZDUSSCGKSA-N 288.416 4.882 30 10 CJEE CCCCCCCCC[C@]1(C(F)(F)F)CCCN1 585657977 WQWQVZHDWCEYEW-CYBMUJFWSA-N 265.363 4.812 30 10 CJEE C=C[C@H](CC(=O)N1CCCC[C@@H]1C1CCC1)c1ccccc1 648702663 ZMNVOSWNEMXUPQ-VQIMIIECSA-N 297.442 4.528 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1C[C@H]1OC 689912828 AVYGQJGMBUZHNE-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCCOC2)CC1 690503569 FEWTYOFDEKGRSG-HPUBIQBYSA-N 263.425 4.549 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)nc(C2CC2)n1 692241619 KEYQWBQRNBPGPG-YPMHNXCESA-N 291.826 4.554 30 10 CJEE C[C@H](CN(C)CC1(CS)CCCCCC1)C1CCC1 692266870 IBQRBBZDOHBQNK-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CCOC1(C)C 693117884 WJKCQICDSJVCAQ-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@@H]3C[C@H]23)c1C#N 694314337 XASMADFMKCINGX-RDBSUJKOSA-N 286.444 4.518 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@@H](C)CN 696685191 YFTZCAMONCRKEX-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C)c(C)s1 702037753 SBTFMTUSOCZTPB-BPLDGKMQSA-N 278.465 4.545 30 10 CJEE CC[C@H](Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F 702901650 VXAZYXYMLNZFPD-VIFPVBQESA-N 289.194 4.597 30 10 CJEE C=CC(C)(C)CNC1CCC(C)(c2ccccc2)CC1 707865045 ZQWIIJVMRMNKHM-UHFFFAOYSA-N 271.448 4.689 30 10 CJEE C[C@](C#N)(Nc1ccccc1Cl)[C@]12CCCC[C@@H]1C2 709093662 APIJVEFBWDOKSE-WQVCFCJDSA-N 274.795 4.614 30 10 CJEE CCCCCCCCCNC1CCC(C)(N(C)C)CC1 715538777 MXPHRCNIIGGDPY-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE C#Cc1cccc(N[C@H](CC)CC2CCCCC2)c1 720942387 DUOHZPFRNXBGJH-QGZVFWFLSA-N 255.405 4.829 30 10 CJEE C=C1CCC(CN[C@@H](CC)c2cccc(C)c2)CC1 724446806 LMFAYJMDBCRTBB-SFHVURJKSA-N 257.421 4.782 30 10 CJEE C=C1CCC(C[C@H](O)c2cc3cc(C)ccc3o2)CC1 724560636 YCSWOPJIIBHQLJ-INIZCTEOSA-N 270.372 4.911 30 10 CJEE C=C1CCC(C[C@]2(C(=O)O)CCC[C@H](CC)C2)CC1 724588133 GFVKBQYAILADGJ-YOEHRIQHSA-N 264.409 4.794 30 10 CJEE C=C1CCC(C[C@H](N)c2sccc2Cl)CC1 724595574 BJOOZSSRPROWHL-LBPRGKRZSA-N 255.814 4.538 30 10 CJEE C=C(C)CCSCc1cccc(SC(=O)N(C)C)c1 795369005 OATAIGYBQIBKJR-UHFFFAOYSA-N 295.473 4.660 30 10 CJEE CSc1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1 821233654 APMZPOWVBYBXHS-VHEBQXMUSA-N 297.423 4.739 30 10 CJEE O=[N+]([O-])c1ccc(C=Nc2ccc3ccccc3c2)s1 1084041533 GYXZFCVOEZLGCB-UHFFFAOYSA-N 282.324 4.560 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccccc1)C1CCCCC1 1125384134 KTBZHMLUULXOCM-UHFFFAOYSA-N 285.431 4.955 30 10 CJEE C=CCC1(C(=O)NCC(C)(C)C2CCCCC2)CCCC1 1127226286 INCIDYFLUUQRMH-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C#CCCCCC(=O)O[C@H](CC)c1cccc(Cl)c1F 1128127967 DGBMVOVYWVEJNC-CQSZACIVSA-N 296.769 4.667 30 10 CJEE C=C(C)[C@@H](NC(=O)CC[C@H](C)CC)c1ccc(F)c(F)c1 1128249378 RKEQKICRKBNWHM-SJKOYZFVSA-N 295.373 4.525 30 10 CJEE CCCCCCCN(C)Cc1csc(C(C)C)n1 1138886608 QPHMXEVVRCPRCG-UHFFFAOYSA-N 268.470 4.669 30 10 CJEE C=CC[C@H](C)N(CCC)Cc1ccccc1Br 1167241266 VYHMQDNDQQENRB-ZDUSSCGKSA-N 296.252 4.626 30 10 CJEE C=C(CC)CN1CCCc2cc(C(C)(C)C)ccc21 1168208235 LINXFZOGPBEDIQ-UHFFFAOYSA-N 257.421 4.703 30 10 CJEE C=CCCCCCN(CCc1ccc(F)cc1)C1CC1 1190955028 VSTXJPONQQCVBH-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE C=CCC[C@@H](NCc1ccc(F)cc1C)c1ccccc1 1192707888 DZMWZPGVJOXBCE-LJQANCHMSA-N 283.390 4.931 30 10 CJEE N#CCc1ncccc1-c1cc(Cl)cc(Cl)c1Cl 1243113919 BYEFOIZTIIRLDB-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC1(C(=O)N(C)c2cc(Cl)cc(Cl)c2)CCC1 1265120471 NYHKGNRBYIWTRX-UHFFFAOYSA-N 298.213 4.703 30 10 CJEE C=CCC1(NC(=O)c2ccc3sccc3c2)CCCC1 1279399570 GCBPSMYYRPLKPE-UHFFFAOYSA-N 285.412 4.520 30 10 CJEE C=CC[C@H](C)NC(=O)C1(C2CCCCC2)CCCCC1 1293501407 AASVPHCYRQAONJ-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCCCCCN(CC)c1ccc(F)c(F)c1 1307573281 KKNUHWIIGKXBCP-UHFFFAOYSA-N 253.336 4.538 30 10 CJEE C=CCC[C@@H]1CCCN1C/C=C\c1ccc(Cl)cc1 1308135590 HVTSEPRFIXZMDZ-XQDHMALISA-N 275.823 4.784 30 10 CJEE C=C1CCC(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 1349641535 LFXMQLGNCUMFAF-DJIMGWMZSA-N 276.420 4.635 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccc(F)cc1Cl)C(C)C 1352119635 KBTKHTALCOPMPW-GFCCVEGCSA-N 297.801 4.823 30 10 CJEE C=CCN(C(=O)C/C=C/c1ccc(C)cc1)c1ccccc1 1357806008 LKGGXUCIDPCFCR-BQYQJAHWSA-N 291.394 4.618 30 10 CJEE C#CCCCCCCN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 1459426993 ANOCVTGGHUNIEB-MUGJNUQGSA-N 287.491 4.861 30 10 CJEE C=CC[C@@H]1N(C(=O)c2ccccc2Cl)CCCC1(C)C 1459681770 NXJUIABTTSEGJP-HNNXBMFYSA-N 291.822 4.547 30 10 CJEE C=CCCN[C@H](COc1c(C)cccc1C)c1ccccc1 1459815154 BGDDKVVHUVDUIV-LJQANCHMSA-N 295.426 4.589 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(C)(C)C2CCCCC2)C1 1461366291 WWNUZBQAYCDQDX-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(C)c1Br 1461393370 SCMAJZIJDSOPBZ-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE C=CCCC[C@H](NCCC1CCC1)c1ccccc1 1473760242 ZPRKSBVNBVXYHT-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C=CCC[C@@H](NC(=O)N(CC)[C@H](C)CC)c1ccccc1 1478258649 YSJJURSTRWQMJR-NVXWUHKLSA-N 288.435 4.524 30 10 CJEE C=CC[C@H]1N(C(=O)C[C@H](C)c2ccccc2)CCCC1(C)C 1519871704 ZEGNRUGUHKMSKD-FUHWJXTLSA-N 299.458 4.774 30 10 CJEE C=CCC1(CNC(=O)c2ccc(C(C)C)cc2)CCCC1 1521316232 MFTVFMLHRKUQLB-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](c1ccc(F)c(F)c1)C(C)C 1535874031 GMBRTOYAIZDDLC-SJCJKPOMSA-N 296.357 4.807 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(C)C 1539320827 RVNHPDCVROOORA-RTBURBONSA-N 299.458 4.774 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc2sccc2s1 1596320069 VUVBVXMZWAVDKM-UHFFFAOYSA-N 293.457 4.685 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC(C)(C)CC1)c1ccccc1 1611043884 TYJHNGNHQKVSMH-GOSISDBHSA-N 299.458 4.775 30 10 CJEE C=CCCCCCCCNc1ccnc(C(C)C)n1 1612450274 DIGBKYRNAWQTAX-UHFFFAOYSA-N 261.413 4.539 30 10 CJEE Fc1cccc(Cl)c1C#Cc1cccc(C(F)(F)F)c1 1614826012 FLSYUFWXEZXRMD-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCN(Cc1ccc(-c2cccs2)cc1)C1CC1 1616576036 IYJZJUDDOGGCFR-UHFFFAOYSA-N 269.413 4.566 30 10 CJEE C=CCC[C@H](C)NCC1(c2ccc(F)cc2F)CCCC1 1621269047 JNZRZLHRGIDYIB-AWEZNQCLSA-N 293.401 4.721 30 10 CJEE C#CCCCCCCNc1cc(C)c(OC)cc1Cl 1621366720 ZAMLARXVJUTQKS-UHFFFAOYSA-N 279.811 4.653 30 10 CJEE C=C(C)CCNC(=O)Nc1ccccc1Oc1ccccc1 1622825751 YPMHJQJFNFQSPS-UHFFFAOYSA-N 296.370 4.567 30 10 CJEE C#C[C@@H]1CCCN(C(=O)[C@](C)(CCC)CCCCCC)C1 1627747253 SIQUPKQBDNOOEZ-IEBWSBKVSA-N 291.479 4.635 30 10 CJEE C=CCC[C@@H](Nc1ncnc2sccc12)c1ccccc1 1639670331 GNXYJORXJQEWRM-OAHLLOKOSA-N 295.411 4.811 30 10 CJEE C=CCCC1(CN[C@H](C)CC(C)(C)C)CCCC1 1652814461 OKGBCJXUVBIQPK-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C#CCCCCCCN[C@@H](c1cccc(Cl)c1)C(F)F 1655425185 WYLNHBNCWMMHDJ-HNNXBMFYSA-N 299.792 4.820 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(Sc3ccccc3)CC2)C1 1655520775 SMAIOESTBSWYJZ-JKSUJKDBSA-N 287.472 4.646 30 10 CJEE C=CCCCCCCNCc1ccc(C(F)(F)F)s1 1657939919 MCBBWSUYDSBERJ-UHFFFAOYSA-N 291.382 4.993 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 1658561924 LOCCHNOCFRZPFJ-NJDAHSKKSA-N 295.470 4.838 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H](CC)Cc1ccccc1 1659440659 IPNBZFBGXNTFKE-NHCUHLMSSA-N 293.454 4.785 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cccc(C)c1F 1659665965 JOHQIKKOTWYXII-UHFFFAOYSA-N 283.390 4.712 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@@H]1CC1(Cl)Cl 1659713661 AMWBKPIFSYQDNK-QWHCGFSZSA-N 278.267 4.685 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1C 1666966347 KGEHACVOZDPEPN-CQSZACIVSA-N 292.810 4.611 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](CC)COC 1879027609 XFYWGYKJMFFCAE-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CC#CCCCCCC[C@H](NCC)c1ccccc1 1885237941 REOQRVHZJLOHOD-SFHVURJKSA-N 257.421 4.701 30 10 CJEE CCCCCCCCN(C)c1cc(Cl)ccc1CN 1887154381 UHMSONOHJBYADC-UHFFFAOYSA-N 282.859 4.595 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1c(Cl)cccc1Cl 1888684186 ZNKGDYPGYQJMKA-INIZCTEOSA-N 292.209 4.967 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H](C)COCc1ccccc1 1892678813 ADMWTBUATBFYCA-APWZRJJASA-N 288.431 4.791 30 10 CJEE C=CCC(CC=C)Nc1cccc(C)c1Br 1900994983 CWLRGUNLDNUSKJ-UHFFFAOYSA-N 280.209 4.690 30 10 CJEE CC(C)C[C@H](CS)CS[C@H]1CCC[C@H](C)C1 1905526941 LVRUCMHGGVPFPU-MJBXVCDLSA-N 260.512 4.890 30 10 CJEE CCC[C@@H](N=C1N[C@@](C)(C(C)C)CS1)c1cccs1 1911870398 JKKXLCIUXIZDBV-IUODEOHRSA-N 296.505 4.696 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@H]1CCC2(CCCCC2)C1 1916124662 ZXMQADIZEQHMDQ-CVEARBPZSA-N 283.525 4.623 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(=S)[nH]c2cc(C)ncc21 1918336805 FTMMETWQDLWIDP-GXTWGEPZSA-N 287.432 4.710 30 10 CJEE C=C(C(C)(C)C)[C@](C)(O)c1ccccc1C(F)(F)F 1919635547 HJLDNJZCSZBJGK-AWEZNQCLSA-N 272.310 4.515 30 10 CJEE 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10 CJEE C=C[C@H](NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCC1 2230651453 FGZBKBAFZJQYOM-ATLSCFEFSA-N 261.453 4.537 30 10 CJEE C=CCN(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(C)(C)C 2230651645 FVBFUSKMVHYMJY-ZACQAIPSSA-N 263.469 4.879 30 10 CJEE CCCCCCCCCO[C@H]1CC[C@@H]1CNC(C)C 2230991602 FNRODWROOXGOEV-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCO[C@H]1CCC[C@@H]1O 2231028463 RCPQNPGSUWUTPI-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cccc(Cl)c1F 2231536532 KCYIPKZKJNPSNK-LRDDRELGSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCCCCO1 2231930419 QDHYLQLQLGOQEP-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)c(Cl)c1 2233697182 MUOJWQPKGFBMRT-NHAGDIPZSA-N 288.822 4.840 30 10 CJEE N#Cc1c(Cl)cccc1OC[C@H]1C[C@H]2CCC[C@H](C2)C1 2233727656 JXDHXZPCHGPMMN-BTTYYORXSA-N 289.806 4.807 30 10 CJEE C=CCCCCCCCN[C@H](C)Cc1ccc(F)cc1 2235522046 PKQNPPXFUYJMMR-MRXNPFEDSA-N 277.427 4.873 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@](C)(O)CC=C 2235523510 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2240216397 FZYLAFPJBVMCIN-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC([C@@H]2CCOC2)C1 2240637886 NQOQLDVEJBRLLR-MRLCAUJQSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCC)C1CC(C)C1 2240638991 AGWDHGBINXNKMD-HIEASXQVSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC(C)C)NCCC 2240640114 NBWJDKDPXCHVJL-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCCC[C@H]1CO 2240648006 IBNSOKWYDYWBOX-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE C=C(Cl)Cc1cc(Br)cc(C(C)C)c1 2241395246 LRMACAVOOUQFNM-UHFFFAOYSA-N 273.601 4.868 30 10 CJEE CC(C)=C(C)CCC#Cc1cccc(Br)c1 2246252980 AYYAKLLEZUGZDZ-UHFFFAOYSA-N 277.205 4.937 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 2250017086 UJEAAMBLDZSKEF-RRFJBIMHSA-N 251.439 4.794 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C)SC 2252952120 BSVNZHFFFZJSMQ-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1csc(Cl)c1OC 2256836958 BTEZPOIDJSCQMF-ZYHUDNBSSA-N 287.856 4.663 30 10 CJEE C=CCCCCC[C@H](OCCN)c1sccc1Cl 2262885507 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WDWIRNXGFRWKBB-HZPDHXFCSA-N 284.513 4.593 30 10 CJEE C=C1CCC(C[C@@H](NC)C2(C)CC(C(F)(F)F)C2)CC1 2279200460 ZZMBWEPBRKNJRP-SHARSMKWSA-N 289.385 4.690 30 10 CJEE CCC(CC)([C@H](N)CC=CC#CC(C)(C)C)C(F)(F)F 2284167545 RKTNHOZWIRTPBT-CYBMUJFWSA-N 289.385 4.678 30 10 CJEE C=CC[C@@H]1CCCCN1CCCCCCCCCCO 2286802546 KEGTUIWILIGOCO-GOSISDBHSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCSc1ncnc(NCC)c1F 2287089738 LSQVTVMHLDOYOC-UHFFFAOYSA-N 297.443 4.666 30 10 CJEE N[C@H](C#CC1CCCCC1)c1cc2c(s1)CCCCC2 2289785688 IFSRLNCXBZIYNK-MRXNPFEDSA-N 287.472 4.601 30 10 CJEE CCCCCCCCCC[C@@](C)(OCC(=O)O)C(F)F 2290576723 DVOUTKGPIJHETE-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=CCCC[C@@]1(OCCCN)CCC[C@H](CC(C)C)C1 2292726317 IRMOJBYFZVSTBU-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1sccc1CC 2292763442 UOYKHYPQEZFNPH-QGZVFWFLSA-N 297.508 4.862 30 10 CJEE C=CCCCCC[C@](C)(OCCN)c1ccccc1Cl 2292886742 YZEIKNCWQBSUQJ-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)c1ccc(C)s1 2292895495 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CCC[C@H](CS)CO[C@@H](CCC)c1ccccc1 2318158036 XBFQHNUPEARSNS-HOCLYGCPSA-N 266.450 4.891 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCC(F)(F)F)NC 2321107200 DUWURAAOOVSXPU-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1c(F)ccc(C)c1Cl 2321232445 LBWRMOMITMTCKQ-LSDHHAIUSA-N 270.775 4.813 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C=O)CCC(F)(F)C2)C1 2321577370 GUZKVVAFNWAFHY-OCCSQVGLSA-N 258.352 4.597 30 10 CJEE C=CC[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2325264563 CZVFUIQUTKPEFP-LLVKDONJSA-N 290.209 4.619 30 10 CJEE CCC(C)(C)CCN(C)C[C@](C)(CS)C(C)(C)C 2327290282 JDCKBMNLUVFWKE-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc2ccsc12 2328524300 YZQXDDWFDJGTRU-GFCCVEGCSA-N 280.458 4.872 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329776670 SMEOYJDFYKWNRS-LJISPDSOSA-N 272.379 4.843 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)c(C)c1 2335242596 RRWJBBSVYCUOHX-CQSZACIVSA-N 277.477 4.940 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnccc1SC 2336858535 GIPCIDKNSROTEE-OAHLLOKOSA-N 280.481 4.815 30 10 CJEE CCCCCC1CCC([C@@H](N)C#CC2CCC2)CC1 2337433279 ZCJIBQRKYOUBSF-ABHNRTSZSA-N 261.453 4.504 30 10 CJEE Cc1c(F)ccc(COCCCC(C)(C)C#N)c1Cl 2339307080 ZKLCLKWYPQZQDI-UHFFFAOYSA-N 283.774 4.634 30 10 CJEE CC(C)(C)C#CC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341110004 JVSJFEHTVGNKSC-HNNXBMFYSA-N 298.257 4.693 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCC(C)(C)C1)NN 2341706265 HRLUXHMRRPXZPK-JKSUJKDBSA-N 268.489 4.785 30 10 CJEE C=C(C)CC[C@H](O)[C@@H](c1ccccc1)C1CCCC1 2342359836 KNNQGLCMDIVCPZ-ROUUACIJSA-N 258.405 4.678 30 10 CJEE c1ccc([C@@H](CCCC[C@@H]2CO2)C2CCCC2)cc1 2342476191 XDKIINMZATVNFF-QZTJIDSGSA-N 258.405 4.920 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(F)cc(C(F)F)c1 2344379808 JNZGPLSFWGALON-DZGCQCFKSA-N 271.326 4.756 30 10 CJEE C=CC[C@@H](C)[C@@H](CC(C)(C)CC(F)(F)F)NCCC 2344380013 ZAYMCUDKSLQNPP-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1nc(C)c(C(C)(C)C)s1 2344383742 JKTZSHJHOXSVOI-LBPRGKRZSA-N 280.481 4.612 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1csc(C2CC2)n1 2344385998 SXCLYMJJCQNGMZ-GDBMZVCRSA-N 278.465 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C(C)(F)F)CC1)NCC 2344386717 YLIHZGZEDCVAGX-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C(C)(C)C)c1 2344395844 KPXLDOZJTAMHOY-AEFFLSMTSA-N 259.437 4.976 30 10 CJEE C=CCC(CC=C)S[C@@](C)(C(=O)O)[C@@H]1CCC1(C)C 2351988087 AZDCABFXFTXJOL-CZUORRHYSA-N 282.449 4.520 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C#CCCCCCCCO 2353000067 ACANHAVOABTZNI-UHFFFAOYSA-N 299.241 4.986 30 10 CJEE CCCCCCCN(C)Cc1cc(Cl)cc(N)c1C 2353062926 GVRTVHBUYZGUOY-UHFFFAOYSA-N 282.859 4.633 30 10 CJEE CCCCCCCCCCCOCC(=O)[C@H]1C[C@H]1C 2353180289 QICVXCNJKPFPFW-CVEARBPZSA-N 268.441 4.759 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H](C)C1(C)CCCCC1 2353843886 ZKZOLPBKPOPOFW-HZPDHXFCSA-N 285.541 4.869 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NC 2355019492 HFRYWVLTMMXNFT-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C[C@@H]1CCC[C@H]1C)NC 2358323390 LLIIYUZRIPLOFV-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@@H](N)CC)cc1C 2360208349 NSAGYLKJWZRFAK-INIZCTEOSA-N 289.488 4.888 30 10 CJEE C=CCC(CC=C)Oc1cc(CN[C@H](C)CC)sc1C 2360214065 DBEXOFPOXWCJMN-CYBMUJFWSA-N 293.476 4.844 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](n2cnc3cc(C)c(C)cc32)C1 37147265 FHGUUPZGNTYNJY-YQQAZPJKSA-N 281.403 4.544 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1nc2ccccc2s1 37153992 HTHXGRQHYFQARJ-WCQYABFASA-N 288.441 4.861 30 10 CJEE CCCS[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37156105 FCNPLZLZMXWSDQ-MCIONIFRSA-N 253.455 4.874 30 10 CJEE N#Cc1ccc(Nc2nc3cc(Cl)ccc3s2)cc1 37206682 FDUXJKKMTNZWEZ-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE C[C@@H]1CC=CC[C@@H]1COc1ccc(C(F)(F)F)cc1C#N 37334132 SSHOYKOIBBKZMC-VXGBXAGGSA-N 295.304 4.558 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCCc2ccccc21 37936141 FSKOVSXGSHIHFX-KRWDZBQOSA-N 282.774 4.507 30 10 CJEE Cc1cccc(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)c1C 53099494 IBKPJLBQQCSUEE-SJCJKPOMSA-N 288.460 4.576 30 10 CJEE Cc1ccc(Cl)c(OCC[C@](C)(C#N)c2ccccc2)c1 57715557 FVUNYZNHHFBRAU-GOSISDBHSA-N 299.801 4.899 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)[C@@H]1C[C@H](C)CC[C@@H]1C#N 62014223 BGBQYVZYSZVWJX-UMPJEAMMSA-N 290.838 4.661 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2sccc2Br)C1 83776172 WFVBHXPLGBBMJX-GXFFZTMASA-N 298.249 4.773 30 10 CJEE Cc1ccc(SC[C@H](CS)C(C)(C)C)cc1 87096059 XEJBMAIYBCLLRI-LBPRGKRZSA-N 254.464 4.679 30 10 CJEE CC[C@H](C)n1ccc(CC2(C#N)CCC(C(C)C)CC2)n1 87960048 RPIDUNRMVRIPHD-HJOIGYKYSA-N 287.451 4.753 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 91880632 IVMLOEOURGIHSY-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Sc1cccc(Br)c1 93955915 QJWRGFWGDFIENY-GXFFZTMASA-N 296.233 4.624 30 10 CJEE CCC(CC)[C@@H](C#N)Sc1cccc(Cl)c1 94674691 DUQIAFFGTOTBBD-CYBMUJFWSA-N 253.798 4.760 30 10 CJEE CCCCCC(C)(C)CN[C@H](C)c1cccc(C#N)c1 94984477 NEEGXBZXZHGCHA-OAHLLOKOSA-N 272.436 4.815 30 10 CJEE CCCCCCCNCc1csc2ccccc12 106276667 XNAPAEQWXSSVGX-UHFFFAOYSA-N 261.434 4.961 30 10 CJEE CC#C[C@@H](C)Cc1ccc(OCCCCCC)cc1 107576928 NUWWRHUKHXDUOG-MRXNPFEDSA-N 258.405 4.848 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(F)cc(F)c1 109729261 ANFMJSVGXUWDBB-MRXNPFEDSA-N 269.379 4.585 30 10 CJEE CCCCCCCOc1ccc2c(c1)CCC[C@@H]2NC 110096032 OTGYLQGHODYQIJ-SFHVURJKSA-N 275.436 4.633 30 10 CJEE CCCCCCCOc1cc(C)ccc1[C@H](C)NC 111762348 PXPYCZZDZOBIKW-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@@]1(C)CC 114062246 GFSXHTDGJSTUSR-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCN1C[C@](C)(C2CC2)NC[C@@]1(C)CC 114070823 ORTPFVQVSIGDHP-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1Cc2ccccc21 114755703 OWZOHZXRWASBDD-MSOLQXFVSA-N 260.421 4.828 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)ccc1OC 115064704 ZJGYSMQGHPSZKK-MRXNPFEDSA-N 264.409 4.788 30 10 CJEE CCCCCCCC[C@H](CO)Cc1ccccc1OC 116634951 JIXMNKLCAIKNKJ-INIZCTEOSA-N 278.436 4.597 30 10 CJEE CCCCCCCCCC[C@H](O)CCN(CC)CC 118212461 WPWPWISCWZDXJM-KRWDZBQOSA-N 271.489 4.610 30 10 CJEE CCCCCCC[C@@H](N)Cc1cccc(F)c1Cl 122269001 DYIIZGPONHQOAB-CYBMUJFWSA-N 271.807 4.709 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@H](C)C[C@@H]2C 122438573 UKNRTHJLZMXLCF-KGLIPLIRSA-N 262.441 4.999 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(CC)o1 122678472 ATVBBIKFHVHNOQ-INIZCTEOSA-N 280.456 4.877 30 10 CJEE CCCCCCCCCCNC1=NC[C@@H](C(C)C)S1 125563088 QSBKVNCFDDBGDJ-HNNXBMFYSA-N 284.513 4.844 30 10 CJEE N#Cc1oc2ccccc2c1OCc1ccc(Cl)s1 126023301 FKHJOPUUZOVEGB-UHFFFAOYSA-N 289.743 4.598 30 10 CJEE Cc1cc(Oc2cccc(C(F)(F)F)c2)ccc1C#N 126908349 VEMNFMQEHIRQGJ-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE N#CC1(NC2CCCCCC2)CCC2(CCCC2)CC1 129621283 CVSBTDFHULKSRV-UHFFFAOYSA-N 274.452 4.696 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C#N)c(F)c2)c(C)s1 135244451 VCYOAGMIXWYIQO-JTQLQIEISA-N 274.364 4.549 30 10 CJEE N#Cc1ccc(CSCCCCC(F)(F)F)cc1 156095012 BPGLZUGQIHPORO-UHFFFAOYSA-N 273.323 4.524 30 10 CJEE CCCCCCCCC[C@H](N)C1[C@H]2CCCC[C@H]12 157973841 FFKHJNCLXHNGBH-JYJNAYRXSA-N 251.458 4.891 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164025999 QCJDWAYNXNZVOL-ABAIWWIYSA-N 296.336 4.958 30 10 CJEE CCCCCCCOc1ccc(C(F)(F)F)c(C#N)c1 164496735 DSWQDMMXRDUTNS-UHFFFAOYSA-N 285.309 4.926 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(Cl)cc1Cl)NCC 164515605 SPNYLSJNNWPHQY-CQSZACIVSA-N 286.246 4.870 30 10 CJEE O=C(C1=CCCCCC1)C1C2CC3CC(C2)CC1C3 168399899 WTOYSWSBMPBNNI-UHFFFAOYSA-N 258.405 4.518 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 185207840 LTBZDLATWLJBRX-CZUORRHYSA-N 291.822 4.606 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(Cl)cc1 211888221 UZBZCHXFLZSIMX-OAHLLOKOSA-N 277.795 4.733 30 10 CJEE Cc1cccc(C)c1[C@H](C#N)Nc1ccccc1Cl 215844836 JMWTYWNQEOHYLX-HNNXBMFYSA-N 270.763 4.634 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)C1 218624109 ZKQMBFZWVWBWEV-XAZSACEBSA-N 291.479 4.920 30 10 CJEE C#C[C@H](CCCCCCCCCCC)NCCC 229561579 KIBUTPKLUBRBSO-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)ccc1Br 229737246 VEMCZQZOMOYINO-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCn1ccc2cc(C[C@H](C)N)ccc21 229743015 DQYQAAVIUZYNOJ-HNNXBMFYSA-N 272.436 4.501 30 10 CJEE C=CCCCCC[C@H](Cc1ccccc1Cl)NC 234450980 DROQUOXUAZRPIB-OAHLLOKOSA-N 265.828 4.607 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(OC(F)(F)F)cc1 236549927 OTCDNUMJLHDOFT-CQSZACIVSA-N 288.309 4.755 30 10 CJEE CCCCCCCCN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250819646 KOYZQCLAHXSWMK-QZWWFDLISA-N 251.458 4.761 30 10 CJEE Clc1cccc(N=Cc2ccccc2Cl)c1 254475237 MZJZNAQCSPQXRV-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE CC(C)n1c([C@H](C)C#N)cc2cc(C(F)(F)F)ccc21 259913437 CJGRNHXYVOGXCU-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE CCCCCCCCC[C@H](N)CC#CC(C)(C)C 302279313 UHQKQIUUMXLHDQ-INIZCTEOSA-N 251.458 4.894 30 10 CJEE C=C(CS)CSc1cc(Cl)cc(Cl)c1 308479527 MIBYTDMBPUSVLK-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE CC(C)(C)C1CCC(c2nc(CCS)cs2)CC1 310681949 MVXOMOSWWZNYFS-UHFFFAOYSA-N 283.506 4.935 30 10 CJEE Cc1cccc(C#N)c1N1CC[C@@H](C)c2ccccc21 312355641 JFVCMWZJNXLADD-CYBMUJFWSA-N 262.356 4.512 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1 313420057 BSLRZJCQQZAROV-LBPRGKRZSA-N 270.763 4.579 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(Cl)cccc1OC 316155596 SCCGDRBCRKOVBZ-CQSZACIVSA-N 298.858 4.604 30 10 CJEE O=CC1(C[C@H]2CSc3ccccc32)CCCCCC1 316522341 YSHIBAITBZWDBQ-AWEZNQCLSA-N 274.429 4.806 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](C)[C@H]1C 379440157 QWUKEHGWOJFNHQ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)C1CCSCC1 389893930 XOUXINQMQGJTFB-HNNXBMFYSA-N 258.471 4.631 30 10 CJEE C=CCCC[C@H](C)Nc1nc(C)nc2sc(C)c(C)c12 398181962 SRXYXXSEAQHZGM-JTQLQIEISA-N 289.448 4.773 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)O[C@H]1C 686467238 NCNCUTGZBDUQDP-TWMKSMIVSA-N 269.473 4.529 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@H](CC)C1 692275920 RIODTUSEQUPCIS-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]12CCC[C@H]1C2 693264973 DACRQVWQZXOYHL-YESZJQIVSA-N 251.458 4.905 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2ccc(Cl)cc2C#N)C1 695683782 CVHXRMNISBZROI-YPMHNXCESA-N 274.795 4.616 30 10 CJEE Cc1ccc(C#N)c(NC2CCC(C3CCC3)CC2)c1 695821420 GGQVPJQXNHNODB-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE C=CCCSCCNc1ccc(C(F)(F)F)cc1F 696044360 MFCBRQFZMCYXNW-UHFFFAOYSA-N 293.329 4.566 30 10 CJEE C#C[C@@H](NCc1sc2ccccc2c1Cl)C(C)(C)C 702293005 GQXWUDMCKLGUJI-CQSZACIVSA-N 291.847 4.692 30 10 CJEE CCCCCCCCCC[C@]1(N)CCC[C@H](OC)C1 704894250 GFGRVGSXEVPKHA-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)[nH]c1C 705706595 UQMOUXDGCXSCSO-INIZCTEOSA-N 251.414 4.806 30 10 CJEE C[C@H](CC(C)(C)C)CC1(C#N)Cc2ccccc2C1 709234768 KOLLPDQAVMWUKL-CQSZACIVSA-N 255.405 4.758 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 710607399 KRUUZYZDPJSKGN-CYBMUJFWSA-N 291.744 4.889 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 710641170 LLYUGEKTPBTIKR-ZIAGYGMSSA-N 271.876 4.960 30 10 CJEE CC1(C)CCCCC[C@@H]1NC[C@@H](C#N)C1CCCCC1 718953332 CTPNNPUSMKZWQW-SJORKVTESA-N 276.468 4.655 30 10 CJEE C=CCCCN(C)c1ccc(Cl)cc1CNC(C)(C)C 723187404 MQXNFGWRRQTYIJ-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(CC(=O)c2nccc3ccccc23)CC1 724590174 PEKRQZIJMSAXEB-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE CSc1cc2c(CC#N)cc(C(F)F)cc2s1 725296214 TYTXQVSUVHJDDC-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C=C(C)CN(C)C(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1131454898 OWKLYXPDZUEOOL-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=C1CCC(C(=O)N2CCCC[C@@H]2CCCCC)CC1 1131515853 DBDWULGRVKWZKI-KRWDZBQOSA-N 277.452 4.694 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC[C@@H]1c1ccc(C)cc1 1183045635 LCXWDVFRZUJAMY-MSOLQXFVSA-N 271.448 4.823 30 10 CJEE C=CCCCC[C@@H](C)Nc1cn(-c2ccccc2)nc1C 1205385711 OEAOYBRJIVPZLF-OAHLLOKOSA-N 283.419 4.728 30 10 CJEE C=CC1(CC(=O)NCC2CCC3(CC2)CC3)CCCCC1 1287412728 LRKUZSOJHGWWFF-UHFFFAOYSA-N 289.463 4.600 30 10 CJEE C#C[C@@H]1CCCN(Cc2ccc(C3CCCCC3)cc2)C1 1307877615 JKVQCXTUPXGKDV-QGZVFWFLSA-N 281.443 4.580 30 10 CJEE C=CCN(C[C@@H]1CCC[C@H](CC)C1)c1ccccc1 1308696358 LQMSOUGRHMVVBA-DLBZAZTESA-N 257.421 4.895 30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(Cl)cc1 1310102514 NQTFSGUSVXASCM-UHFFFAOYSA-N 294.826 4.988 30 10 CJEE C=C(CC)CNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1311227056 LNZMYMFNEPOPJV-CYBMUJFWSA-N 286.419 4.559 30 10 CJEE C=CCCCCN1CCS[C@H](C)[C@H]1c1ccccc1 1459480376 AJAKPZMNRZTBBV-WBVHZDCISA-N 275.461 4.521 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H](C)c2ccc(SC)cc2)C1 1462155836 LHHSXLBYRFSWKU-OFQRWUPVSA-N 275.461 4.804 30 10 CJEE C=CCC[C@H](NC(=O)N[C@H](CC)CCC)c1ccccc1 1468434547 MCIWMXOMIJWKDX-SJORKVTESA-N 288.435 4.572 30 10 CJEE C=C(CC)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C 1473311454 KJGGWBCFZIBKJY-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 1477187863 WPATYJLCOIFTMM-UWWQBHOKSA-N 298.430 4.810 30 10 CJEE C=CCC(CC=C)C(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 1527350402 APHWBNNDCWJBLI-SJLPKXTDSA-N 291.479 4.962 30 10 CJEE C=CC(C)(C)CCCNc1nccc(Oc2ccccc2)n1 1559272801 NLXCFEMLOBTFLC-UHFFFAOYSA-N 297.402 4.673 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc(SC)cc1 1559792224 BCWVNPQHOAMUKQ-HNNXBMFYSA-N 275.461 4.643 30 10 CJEE C=CCCC[C@H](N[C@H](C)[C@@H]1CC1(F)F)c1ccccc1 1560987003 OJJCEKLGQZOTHD-KBMXLJTQSA-N 279.374 4.717 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCCC[C@@H]1C)c1ccccc1 1585434777 IEKJBUUOJJBYBH-HKUYNNGSSA-N 299.458 4.918 30 10 CJEE C=CC1(CC(=O)N2CCCC[C@@H]2C2CCC2)CCCCC1 1586704450 XLJNXVWNAVGMRU-QGZVFWFLSA-N 289.463 4.694 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCCSc2ccc(F)cc2)C1 1620705638 REBHRLDHTSFRSR-GDBMZVCRSA-N 293.451 4.642 30 10 CJEE C=CC(C)(C)CNCc1cccc(Oc2ccc(F)cc2)c1 1620939697 ROLTVQAEBZIWRE-UHFFFAOYSA-N 299.389 4.920 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C)c(C)c1 1622844300 OHHQUTLXALKVOZ-WBVHZDCISA-N 286.419 4.560 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(C(C)(C)C)cc1 1622854427 DJXWMEAGVFMAEJ-UHFFFAOYSA-N 288.435 4.804 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C=C(\CC)c1ccc(C)cc1 1623981800 NQMOTQJTWMSGSM-SAPNQHFASA-N 299.458 4.897 30 10 CJEE C=CCN(Cc1ccc(CCC)cc1)Cc1ccccc1F 1641569136 SFTOUJPHOXAEMU-UHFFFAOYSA-N 297.417 4.966 30 10 CJEE C=CCCN1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F 1643904472 CSHOYKGQFSCSDA-INIZCTEOSA-N 297.364 4.679 30 10 CJEE C=C1CCC(CNc2cc(C(C)C)nc(C(C)C)n2)CC1 1651398448 MTRWODJPLJTRPY-UHFFFAOYSA-N 287.451 4.882 30 10 CJEE C=CCCCCSc1nnc(-c2ccc(Cl)cc2)o1 1652436601 ZSZZTXRKTMFHHH-UHFFFAOYSA-N 294.807 4.838 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4.632 30 10 CJEE CCCCCCCC[C@@H](NC)c1nccc(C)c1C 2088910108 RLTCGYZOABDEID-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]1(CC)CCCO1 2090706502 AXICJEOKAFVLCY-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1CCC[C@@H]1C(F)(F)F 2092665380 FURKLXBTQHTADV-OCCSQVGLSA-N 274.326 4.815 30 10 CJEE N[C@@H](CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2093462310 KIGGZGUGFCVXFY-INIZCTEOSA-N 296.241 4.967 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1 2095352870 FCFVGPWAEOWQLW-VNHYZAJKSA-N 274.795 4.592 30 10 CJEE CC(C)[C@@H]1[C@H](C)CC[C@]1(C#N)Nc1cccc(Cl)c1 2096600891 MIKPUNCZIFEYBX-DAXOMENPSA-N 276.811 4.716 30 10 CJEE CCCCCCCCCCC[C@@H](NN)C1CC(C)C1 2097553823 ZCFNFKNBFMHXMM-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE CC(C)C[C@@H](O)CC1(C#N)CC(C)(C)CC(C)(C)C1 2098240478 TYCTXKUEYWDLPY-CQSZACIVSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCN[C@H]1CCCO[C@@]1(C)CC 2098880245 XSZAFBCCTLRSAC-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCSCCN[C@H]1CCCC2(CCCCC2)C1 2102379511 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CC1(CN=C2NC(C)(C)CCS2)CCCCCCC1 2116017956 JTLBCPLYCCUJPV-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1ccc(F)c(Cl)c1)NCCC 2116658092 LGXKKICBSNFPMY-JSGCOSHPSA-N 283.818 4.602 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(C2CCC2)cc1 2116659182 XBFHPAXFSPSYLB-RDTXWAMCSA-N 257.421 4.817 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(Cl)ccc1F 2116871660 ZXAUEKYLGBDLOZ-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC1(C)CCCC[C@]1(C#N)c1ccnc2ccsc12 2117013053 FWRSTPLSSFVGAG-INIZCTEOSA-N 270.401 4.658 30 10 CJEE CCC#CC[C@@H](NCCC)c1cscc1C(F)(F)F 2117453691 BBVTYNXUMGPUMX-CYBMUJFWSA-N 289.366 4.611 30 10 CJEE CCC#CC[C@H](NC)[C@H]1CC[C@H](CCCCC)CC1 2117454131 GZROHTRAKJLUPG-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCOCCNC1CCCCC1 2119632852 YACDCFIUFQULAD-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CC[C@](C#N)(C(C)C)[C@@]1(O)CCCC[C@H]1C(C)(C)C 2127923942 UHNWCSAVEDGRTR-BHYGNILZSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCCCC[C@@](C)(C#N)C(=O)O 2129927506 OYDUCUQPGQXADI-INIZCTEOSA-N 267.413 4.912 30 10 CJEE C=CCC(C)(C)OC(=O)C=Cc1cccc(Cl)c1Cl 2130726046 RLFBJOJEUFXFQV-UHFFFAOYSA-N 299.197 4.905 30 10 CJEE C=CC1(CNCc2ccc(C)cc2Cl)CCCCC1 2132976145 UOZOVZPRUYNLCE-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1C[C@H]1C(C)C 2135424109 NJCLFCJZCZFZFA-ULQDDVLXSA-N 268.489 4.641 30 10 CJEE CCC1CCC(C=O)(C[C@H]2C[C@H]2C2CCCC2)CC1 2135647939 IQZBJAULNGTSTN-MKFDVMFOSA-N 262.437 4.988 30 10 CJEE C=CC1(CN[C@@H](C)c2ccccc2CC)CCCC1 2136470170 LLIFAMHXIKPLNG-HNNXBMFYSA-N 257.421 4.646 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(C(C)C)cc1 2138946178 AHGXLSNXYSBSIF-SFHVURJKSA-N 258.405 4.817 30 10 CJEE CCCCCC#CC[C@](C)(O)c1c(F)cccc1Cl 2138949437 QFERQPVWCBEZNW-INIZCTEOSA-N 282.786 4.660 30 10 CJEE CC1(CCC(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CC1 2139127124 FKKVEMMJDSYGTC-ZDUSSCGKSA-N 296.197 4.750 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cc2sccc2s1 2140589148 JFZGLAFEBLTDAN-GFCCVEGCSA-N 290.457 4.840 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCCC1(F)F)NC 2141924793 XTYMZBNHWLXSKD-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE 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C=C(C)CCCC[C@H](NCCC)c1ncoc1CCC 2287412749 FUDJOVBTAMKNAB-HNNXBMFYSA-N 278.440 4.804 30 10 CJEE N#C[C@]1(C[C@]23CCC[C@@H]2CC3)CCOC12CCCCC2 2289066981 GRQXBUCUXQDYPY-BRWVUGGUSA-N 273.420 4.590 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@]12CCCC[C@H]1CC2 2289858696 DSAVVMCNYCWTOO-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CCCCCCCC1(OCC(=O)O)CCC2(CC2)CC1 2290888900 OEBGEOWEHHRIID-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE C=C(C(C)(C)C)[C@](CC)(C[C@H](C)CC)OCCC(=O)O 2291122830 YLMDMYDDNWYUJJ-DYVFJYSZSA-N 284.440 4.665 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)[C@@H](C)C(C)C 2291799799 VNYJRMJULVUACN-RDJZCZTQSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H](C)C1 2291809778 MVLUEFXWITVPTG-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCC(=O)O)C1CCC1 2292714857 HIHKNSVOLVMOFK-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@H](C)[C@](C)(OCCN)C1CCC(CC)CC1 2293132787 KSEYYHBLEAHZPZ-CPFNUKBASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@H]2CCC[C@@H]21 2293405259 PHFNAMNLLMKKBX-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCC[N+](C=CC(=O)c1ccc(C)cc1)(CCC)CCC 2293430116 WLHXPVNMCUEMGD-UHFFFAOYSA-N 288.455 4.738 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H]1CC12CC2 2293505408 SVBYRIWLRGHMBK-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@H](C)C1CCCCC1 2293572965 AUWSKGCZCNJMCV-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCN)c1cccc(SC)c1 2293675606 KNTFHXPYKHBEMA-KRWDZBQOSA-N 295.492 4.785 30 10 CJEE CCCCCCC[C@H](OCCCN)C1C[C@H]2CC[C@@H]2C1 2293715217 UDGSPKOIQADJFZ-NUJGCVRESA-N 281.484 4.517 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)C[C@H](C)[C@@H]1C 2293995844 ZGGSOPDTLPBRTR-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE Cc1c(C)c(C)c(C[C@]2(C=O)CCC[C@H]2C)c(C)c1C 2294720340 AXVPRCATCHZIOL-BLVKFPJESA-N 272.432 4.777 30 10 CJEE CC[C@H](C[C@H](C#Cc1ccccc1Cl)NC)C(C)(C)C 2295217056 OJUMQJMXIZWRTD-CVEARBPZSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@H](CC1(C)CC(F)(F)C1)NN 2295619238 JMVFPQWDMSOGFM-CQSZACIVSA-N 290.442 4.785 30 10 CJEE CCCCCCSCCC[C@](C#N)(NC1CC1)C(C)C 2295693917 KXCWRLZBEUKQII-QGZVFWFLSA-N 296.524 4.750 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc2scnc2c1 2296152364 CWSCUBCKHPINRS-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE C=CC(C)(C)COCCCCCCCCCCCNC 2296257949 PUKFVHOYFDBXGX-UHFFFAOYSA-N 283.500 4.946 30 10 CJEE Cc1cc(C(=O)C=Cc2ccccc2)cc(C)c1Cl 2297630531 LTTUAQZPHQHPJZ-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)sc1CNC1CC1 2298933801 UKFHNMNSMXJKNT-SECBINFHSA-N 287.881 4.710 30 10 CJEE Cc1c(CO[C@H](C)CCC#N)ccc(Cl)c1Cl 2301414298 PBEDUWDRYNRCTJ-SECBINFHSA-N 272.175 4.511 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Br)c(C)c1 2304060888 AQHLAVWTQMIPME-CQSZACIVSA-N 296.252 4.620 30 10 CJEE C=CC[C@@H](C)N(C)Cc1cc(F)c(Cl)cc1Cl 2306245666 NVWYTTWJGPDXHU-SECBINFHSA-N 276.182 4.529 30 10 CJEE C=CC[C@@H](C)Sc1c([C@H](C)NC)ccc(Cl)c1F 2313704467 LECAQDGXJVZXPE-ZJUUUORDSA-N 287.831 4.816 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc2cscc2s1 2315456632 UTULTXPZSFTDHL-FZMZJTMJSA-N 277.458 4.797 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCCC[C@@H]1C(C)(C)C 2316710607 XROJFQGBWSCSOP-NVXWUHKLSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(F)cc1Cl 2316750170 QXLHWFMJWRVELZ-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(C)ccc1Cl 2316751666 GQAHGURJLUOTHI-MRXNPFEDSA-N 263.812 4.677 30 10 CJEE O=CC1(CCCc2cc(Cl)cc(Cl)c2)CC=CC1 2318630674 ZQJDJUUBRNQLON-UHFFFAOYSA-N 283.198 4.851 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(F)cc1Cl 2321148365 OPJKVHNRKDAAEW-CABCVRRESA-N 269.791 4.732 30 10 CJEE CCC(CC)CCN(C)C[C@](C)(CS)C(C)(C)C 2327165761 MJMJCYCSVXMFJX-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](CC)CCC)NN 2328188479 DJRDWYUDJJJTRZ-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2329199857 VOXUMUHBFJGFTO-BARDWOONSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCN[C@@H]2CC[C@@H]21 2330853244 LRKCBJRFVKMHDR-GVDBMIGSSA-N 269.448 4.997 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12 2334657933 LUWKYRXJJQSKFZ-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)Sc1c(CNC(C)C)ccc(F)c1F 2335237442 FQVYQIGSLWDJLB-NSHDSACASA-N 285.403 4.520 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1COCC1(C)C 2336173695 JDJFOHWXHMAPPD-OAHLLOKOSA-N 266.425 4.535 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1ccc(F)c(C)c1Cl 2338558501 LMZFROPKKJTKLG-INIZCTEOSA-N 276.738 4.534 30 10 CJEE C=CCC(CC=C)N(C)[C@H]1CCC2(CCCCC2)C1 2338736239 SIQUTSYPCCPYGQ-KRWDZBQOSA-N 261.453 4.942 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CC[C@H](C)c2ccccc21 2338741540 OKTXARFWRNBSMV-KSSFIOAISA-N 256.389 4.540 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C[C@H]2CC[C@H]1C2 2339070002 JRIVTEOMZIPUEZ-QQCJEOGWSA-N 257.421 4.923 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccc(Cl)c(Cl)c1C 2339128196 DUNUPDFJGYOCFD-UHFFFAOYSA-N 299.197 4.979 30 10 CJEE CCC[C@H](OCC1(CS)CC(C)C1)c1ccccc1 2340466184 ISFJFJQLRWYHCE-WIHSUSGWSA-N 278.461 4.891 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C(F)(F)F)CCC1)NC 2344339171 GVPBCXKHUJZKCL-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C=CC[C@@H](C)S[C@@](C)(C(=O)O)C1CCC(C)(C)CC1 2352001276 APTZDYGRAMKGJN-MLGOLLRUSA-N 284.465 4.744 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCCCC[C@H]1C(C)C 2352198789 UNGYNNNDTFGZIA-GOEBONIOSA-N 284.465 4.746 30 10 CJEE CSc1cc(N[C@H]2CCCCC2(C)C)ccc1C#N 2353835233 RKXTZKDOAPDPBY-HNNXBMFYSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@@H]1C)NCCC 2357155438 UAWFEAZFGWCDIK-XLAORIBOSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCc2ccccc2[C@H]1NC 2360335390 AMGDPOYTFOOMSD-QZTJIDSGSA-N 287.472 4.516 30 10 CJEE N#C[C@H](C(=O)CCCc1ccccc1)c1cccc(Cl)c1 36451474 JDIFBDHSMZPYOH-KRWDZBQOSA-N 297.785 4.539 30 10 CJEE N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2)c(F)c1 36886920 AFKDCOSQZPTUPX-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCC(CC)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 37346219 HUNOJLJZPVTAPD-GFCCVEGCSA-N 284.186 4.606 30 10 CJEE O=C(C1=CCCCC1)c1ccc(Cl)cc1Cl 50324814 ZGSNUDSPDARHIA-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(C)cc1 51635494 NDSHBYFRIVSXRP-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2csc3ccccc23)cc1 55333248 ARJCRSAQDWVPKZ-OAHLLOKOSA-N 291.375 4.700 30 10 CJEE N#C[C@@H](CCCCOc1ccccc1)c1ccccc1F 57686420 OLCHEQXGJAZAHK-OAHLLOKOSA-N 283.346 4.682 30 10 CJEE Cc1ccc(OCCCC[C@@H](C#N)c2ccccc2F)cc1 57686429 QJRGKALEUQIXLZ-INIZCTEOSA-N 297.373 4.991 30 10 CJEE N#C[C@H](Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 57743285 WTEDBTFYBUSVBD-LBPRGKRZSA-N 294.156 4.982 30 10 CJEE CCCCCCCCOc1ccccc1[C@H](O)CC 59292824 VSNRIZGFWCVVDY-MRXNPFEDSA-N 264.409 4.869 30 10 CJEE CC(C)(C)c1ccccc1Nc1ccccc1C#N 71174421 VNGAEFWOCYLMLS-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2C)CC1 86914205 WDHSQACXAQWPGJ-NVXWUHKLSA-N 256.393 4.660 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1cccc(F)c1C#N 93406731 LDQQFAMZXGAHKI-PBFPGSCMSA-N 275.367 4.537 30 10 CJEE CCCC(CS)(CCC)CN1CCCc2ccccc21 94578246 KSPDDAHWFNDTPY-UHFFFAOYSA-N 291.504 4.956 30 10 CJEE SCC1(CN2CCC[C@@H]2C2CCCC2)CCCCC1 94580442 XDBHDXLTEFXZCF-MRXNPFEDSA-N 281.509 4.521 30 10 CJEE Cc1ccc(C(C)C)cc1OC[C@@H](CS)C(C)C 94585493 KJJOVLYTXXCDHF-HNNXBMFYSA-N 266.450 4.699 30 10 CJEE Fc1ccc(SC[C@H](CS)c2ccccc2)c(F)c1 94588926 OFGPSJUENGXQRV-LBPRGKRZSA-N 296.407 4.771 30 10 CJEE C=CCCC[C@@H](NCC)c1oc2ccc(F)cc2c1C 97219370 FTSNCPRGDQSPPX-OAHLLOKOSA-N 275.367 4.887 30 10 CJEE CC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(C)cc1 97634889 FNNTULPFPVLYHP-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CCCN(CCC)CCCCCCCCCS 97799162 HFNGSRSMVUGELY-UHFFFAOYSA-N 259.503 4.769 30 10 CJEE C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(C)cc1 104267551 NLLIEGDMPFTODE-QBFSEMIESA-N 285.774 4.847 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(OC)c1)NCCC 109728663 DUFQJGMYJUBRFG-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCC[C@H](CCOC)NCC 109729196 BUGQHVJDTRFNER-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc2c(c1)COC2 110236385 XUVIRJIONNIJQS-SFHVURJKSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCCCCN1CCC(CCN)CC1 110325937 QNNQTFKFTRDGDL-UHFFFAOYSA-N 296.543 4.968 30 10 CJEE C[C@H](CCNc1cccc(Cl)c1C#N)c1ccccc1 110521549 IAXUGTHJGCUQPZ-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE CCCCCCCCCOc1ccc(C(=N)N)cc1Cl 111236307 MFTISVCQIWBEHM-UHFFFAOYSA-N 296.842 4.753 30 10 CJEE CCCCCCCCCCn1ccc(CNC(C)(C)C)n1 112934740 ZHPKZUQGGSTQMH-UHFFFAOYSA-N 293.499 4.912 30 10 CJEE CCCCCCCCCCN1CC(CC)(CC)NC[C@@H]1C 114071186 SDCBCRWVGCFVIP-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CCOC1 114995819 SDEXKSOIOZPCPX-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](N)c1cnn(-c2ccccc2)c1 115856034 VTCHSHWLOCODJJ-GOSISDBHSA-N 285.435 4.623 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1ccc(C)cc1 118654362 KHSTXNMUHJXKHK-INIZCTEOSA-N 262.393 4.914 30 10 CJEE N#Cc1c(Cl)cccc1OCc1cc(F)ccc1Cl 124210344 QOJZDMPOQBCEFR-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE COc1cc(C#N)ccc1N[C@H]1CCC[C@@H](C(C)C)CC1 129808911 JCRYESQKOGZHDI-CVEARBPZSA-N 286.419 4.584 30 10 CJEE C#CC[C@H](CC)NCc1c(Cl)ccc(Cl)c1Cl 129815630 YMUVEFMFHWCXCE-VIFPVBQESA-N 290.621 4.538 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCOC1)NCC 130370214 JMSFBCFIDXJZGG-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(C(C)C)cc1 133969246 HBVYCVXYMMEBRK-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C#CCCC[C@H](NCCC)C(CC)(CC)c1ccccc1 134027615 AGOVDRNUULICPL-IBGZPJMESA-N 285.475 4.916 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc2c1NCC2 135490067 WMDHXQCJSPIGHA-QGZVFWFLSA-N 275.436 4.829 30 10 CJEE CCCCCCCCOc1ccc(CNCCC)c(C)n1 148173233 OTHWOTBQXRSZJY-UHFFFAOYSA-N 292.467 4.629 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(F)cccc1OC 156121380 DOCNUPKJLFIECC-OAHLLOKOSA-N 281.415 4.845 30 10 CJEE N#CC1(Cc2cc(F)ccc2F)CCCCCCC1 158867607 LKWBLAQUYGHNCD-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE CCCCCCCCN[C@H](C)c1c(C)nn(CC)c1C 159163608 BDGRHRKLMOZXNQ-CQSZACIVSA-N 279.472 4.531 30 10 CJEE CCCCCCCCCC[C@H](NC)C(F)(F)F 162352199 YXBXZIPAWJHNDZ-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCCCOc1c(C)cccc1C[C@H](C)N 166116375 WKZDPKFQBSGADW-INIZCTEOSA-N 277.452 4.624 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(OC(F)(F)F)cc1 167754791 OKLIVDWWWNGJPL-CQSZACIVSA-N 287.325 4.592 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C1CC1 189883958 RPYVIAJCTPRQGZ-IRXDYDNUSA-N 283.415 4.523 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C)cc2/C(C)=N\O)C1 217224118 HOWFIYCMSNVSFW-GAKZUBPLSA-N 275.392 4.541 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 219577372 KISKUXGAKDEGLM-OLMNPRSZSA-N 284.447 4.717 30 10 CJEE C=CC[C@H]1C[C@@H](CCC)CC[C@H]1CNCC(C)C 227527790 KMNKMPUKCOKCLG-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE C=C(CNC(C)C)CSc1ccc(C(C)(C)C)cc1 231566650 VJBDQJVPFSVHAO-UHFFFAOYSA-N 277.477 4.630 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CC(C)(C)C[C@H]2C)CC1 232901893 VDGSQRWKHZZWHM-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CC[C@](C#N)(CCCSc1cccc(C)c1)NC(C)C 234172215 DGTKGJUKIRFEHL-QGZVFWFLSA-N 290.476 4.538 30 10 CJEE CCCCCCCCCCN(CC)[C@H]1CCCC[C@H]1CN 250810563 HKOOHWJFWHEBKV-OALUTQOASA-N 296.543 4.967 30 10 CJEE CC(C)(C#N)C[C@@H]1Cc2c(cccc2C(F)(F)F)S1 260311074 MWNLCOYAXRXXGS-VIFPVBQESA-N 285.334 4.662 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H](C)N[C@H]1CC 300075030 SEYLSSDBCXNCNE-IXDOHACOSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(n1)CCC2 311439173 GAVCPRRZZQKYGE-UHFFFAOYSA-N 259.393 4.504 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1C#N 311562105 YIFRYJSBFSWVTO-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316950748 CCDSSLLKINZGMJ-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE C=C(C)CCC1(CNCCC)CCC(CC)CC1 319153571 HIONMTFIYGACMO-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CC(C)(C#N)CCNc1cccc(OCc2ccccc2)c1 381084573 UQGLCEOWLHLLTK-UHFFFAOYSA-N 294.398 4.617 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cccc(Cl)c1Cl 385042036 RIZRZOBOAXJBAL-IINYFYTJSA-N 268.187 4.866 30 10 CJEE CCCCCCCCCCCCN(C)CCCCN 385273858 UALYMULUAVFFFJ-UHFFFAOYSA-N 270.505 4.578 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(F)cc1Cl 386539285 QWYBUQMVZCCHDJ-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1CSC 393032822 WOBKUUHSQKQOPI-INIZCTEOSA-N 266.450 4.944 30 10 CJEE C=C[C@H](C)ON[C@@H](c1cccs1)c1ccc(Cl)s1 400926930 MDOFPKNXGNWGIR-ZANVPECISA-N 299.848 4.648 30 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FGDVEQHKUFZWAD-KRWDZBQOSA-N 260.421 4.830 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(F)c1F 704436019 MMUJHVCPBPIAFD-MRXNPFEDSA-N 269.379 4.889 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc(C(C)C)cc1 710172510 RCJMKELARKVHGZ-HNNXBMFYSA-N 277.477 4.770 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Nc2ccc(C)cc2Cl)C1 710740995 PDPBIAZVTVSFEE-XOKHGSTOSA-N 293.838 4.556 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 715023921 PWZQYKZAUBYWNP-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE CCCCCCCC[C@@H](Cc1cnc(C)s1)NCC 718879915 YEZIUICMIASHDH-HNNXBMFYSA-N 282.497 4.723 30 10 CJEE CCCCCCCCCN[C@H]1CCO[C@H](C(C)(C)C)C1 721800082 IJWKVBGXRSUDCF-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2CCSCC2)CC1 724582483 MEFYFOFYUXQXHJ-QGZVFWFLSA-N 281.509 4.634 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(CSC)cc1 724704346 HHAGTGHQMGQRQE-ZWKOTPCHSA-N 289.488 4.774 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 1124768619 OQICZMDDWJICIQ-INIZCTEOSA-N 297.442 4.560 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccccc1Cl 1197816728 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CC1CCC(C#N)([C@]2(O)CCC[C@H](C(C)(C)C)C2)CC1 2238155890 LOCZEKJIAREROI-LSCKAKRGSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCO[C@@]1(C(=O)O)CCC[C@H]1C 2239504499 UGIWVJWGOFJEKU-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)O[C@@](C)(C(=O)O)[C@H](C)CC(C)C 2239504890 QAQHPPYSXGLTIB-BFYDXBDKSA-N 284.440 4.663 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(C#Cc2ccc(Cl)cc2)C1 2239577785 IGIZXUIYZBTOOZ-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE C=C1CC(COc2cc(Cl)ccc2CN[C@@H](C)CC)C1 2240236327 FPHPRQJUQRKXQS-ZDUSSCGKSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@@H](C)N1CCCC(C)(C)[C@@H]1CN 2240575859 UMWQHVDZTGONOH-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cnc2scnc2c1 2240622182 QHPKREFSWTWNPG-MRXNPFEDSA-N 292.448 4.649 30 10 CJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CC)CCC 2242039577 HNDDSWGOWBZCMZ-RTBURBONSA-N 289.463 4.564 30 10 CJEE CCCCCCCCC[C@@](C)(CN)NCc1ccccc1 2242459938 RFTYBSBAAAXWPG-IBGZPJMESA-N 290.495 4.634 30 10 CJEE CC(C)CC[C@@H](C)Nc1c(Br)cccc1C#N 2248978303 FNCJFVLPSJPTJO-LLVKDONJSA-N 295.224 4.557 30 10 CJEE CC[C@](C#N)(Cc1ccc(Cl)nc1Cl)C(C)C 2249829819 URCPOJKFZQDTQS-CYBMUJFWSA-N 271.191 4.507 30 10 CJEE C=C1CC([C@H](NCC)c2cc3ccccc3s2)C1 2254327679 DOZHOWWOVLGIMO-INIZCTEOSA-N 257.402 4.518 30 10 CJEE COc1cc(Cl)c(C(=O)C=C2CCCC2)cc1Cl 2255446284 DLJSVHMIQGVWFQ-UHFFFAOYSA-N 285.170 4.685 30 10 CJEE Cc1csc(C(=O)CC=CC#CC(C)(C)C)c1Cl 2256705723 FVAXAXAWOIFVEW-UHFFFAOYSA-N 280.820 4.888 30 10 CJEE O=CC1(C[C@H]2CCC[C@H]2C(F)F)CCCCCC1 2257790965 NKIGXTBHVLIJJT-CHWSQXEVSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H](CC(C)(C)C)OC)C1 2259079148 YVPUHXGDYQMQTR-IIAWOOMASA-N 251.414 4.548 30 10 CJEE CCCCCCC[C@@](C)(CC(C)C)OCCCN 2262556604 CRKOYTZSSATMKJ-INIZCTEOSA-N 257.462 4.517 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCC2=CCCC2)C1 2264151839 PYOIOKCNDQXYNV-BMFZPTHFSA-N 263.450 4.938 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC(F)(F)C12CCC2)NCC 2266345483 DGDRZZXTPCGLRH-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CCCCCCCC(=O)[C@@H](O)c1csc(C2CC2)c1 2267873383 YEKCMAYRVNFLBI-INIZCTEOSA-N 280.433 4.589 30 10 CJEE C=CCCCCCC[C@@H](O)c1cccc(OC)c1Cl 2268078666 TVTGMQHAXVTUDB-CQSZACIVSA-N 282.811 4.909 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1(C)CCCCC1 2268765126 FICZDNKSOVUHQC-INIZCTEOSA-N 261.453 4.541 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(OC(C)C)cc1 2271755416 MKCVNGCBLRBTDA-UHFFFAOYSA-N 260.377 4.793 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)[C@H]2CC[C@@H](C2)C1(C)C 2271842459 WPKFCVMMWCUPMF-GRDNDAEWSA-N 264.409 4.650 30 10 CJEE C=CC1(CNC[C@@]23CCCC[C@@H]2CC3)CCCCC1 2273435274 XFMAEXXJRQQSCI-AEFFLSMTSA-N 261.453 4.683 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CC1CCCCC1 2273982646 OUEPDDAQHQVDCN-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C[C@@H]1CC[C@@H](C(C)(C)CC#CC2CCCC2)C(=O)C1 2274108051 UOCBVWAWDBSYQC-GDBMZVCRSA-N 260.421 4.602 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)CC#CC1CCCC1 2274136646 KCUQSYBPTMHUKA-CQSZACIVSA-N 275.823 4.526 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C#N)CCOC2(C)C)C1 2274358926 QXVPSZKJWBJXCZ-KVULBXGLSA-N 263.425 4.548 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CCC1CC(C)C1 2274613866 WTKCRSWSAGUVKX-JCYILVPMSA-N 263.469 4.621 30 10 CJEE C=CCCCCCC[C@](C)(OCCCN)[C@H](C)CC 2276143473 BKQCYYNYKOQCKR-SJORKVTESA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1C)OCCCN 2277322235 KOOAUZWLXPUYNQ-IXDOHACOSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1C[C@H](OC)C1 2278246843 LEFWPOROFOCBKV-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279189590 QGUBATYNNSXYPV-FEWQNLEASA-N 291.401 4.936 30 10 CJEE C[C@@H]1CCC[C@@H](CCO[C@H]2CC(C)(C)CCC2=NO)C1 2279806626 ITTSXFAWXURWMB-YCPHGPKFSA-N 281.440 4.628 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(CCC)cc1 2283482692 KJYQETJMGMTVDA-IBGZPJMESA-N 271.448 4.873 30 10 CJEE CC(C)=CCC[C@@H](C)CCOc1ccc(C#N)cc1F 2284875756 KIFIOIJWRFHRKP-CQSZACIVSA-N 275.367 4.849 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(C2CC2)ccc1F 2287303887 YOCNUSMZAGCSRX-ZBFHGGJFSA-N 272.367 4.587 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(F)cc(C(F)F)c1 2287346105 JYEKIZSHIBCOCB-CQSZACIVSA-N 288.357 4.628 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccc(COC)o1 2287374885 JMPMIZZIAZDSOT-INIZCTEOSA-N 279.424 4.603 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C)C(C)(C)CS1 2287883180 FHNDOSKHGYTEPV-GJZGRUSLSA-N 298.540 4.946 30 10 CJEE CCCCCCCCCC[C@](O)(CC)[C@@H](C)CN(C)C 2288761863 FLRMUSZJUMQGPG-ZWKOTPCHSA-N 285.516 4.856 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CCCCC12CC2 2289703427 HXTRMKFKRBEGTN-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@H](OCCC(=O)O)[C@H]1C[C@@H]1C 2290580758 PBZOAEIWMKXKDT-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@]1(C)CC1(C)C 2290929019 WCDDQKDQPNZGKE-WMLDXEAASA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1csc(C)c1C 2291733723 SDPDLEKWOKZMDN-HNNXBMFYSA-N 296.432 4.644 30 10 CJEE C=CCCCCCCCC1(OCCN)CCCCCC1 2292641752 OGCDXUFHMAMOPR-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCCC1(F)F 2293466768 ONWFANSFRGOBMA-HNNXBMFYSA-N 291.426 4.660 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C1CCC1 2293646869 FXQWQIRGLWYNAW-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1ccc(SC)cc1 2293889149 BPQKNNJFGZLUAA-KRWDZBQOSA-N 293.476 4.561 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1ccccc1 2293916448 SMWULRRFSCTXHM-SFHVURJKSA-N 277.452 4.628 30 10 CJEE C=CCC[C@H](C)C1(OCCCN)CCC(C(C)C)CC1 2294232739 ZZLSMIDKEVHXDL-AOCRQIFASA-N 281.484 4.539 30 10 CJEE C=CCCC1(OCCN)CCCCCCCCCCC1 2294412401 YAXQGYNAMQPVCK-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1ccc(F)c(Cl)c1 2294419989 PNSRKADLSOWPCM-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1CCC 2294597846 OWYQMZCRNARCCM-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@@H]1CCCN1 2295537736 BZKHWNZQIZDFJF-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCC[C@H]1CO 2295678329 HDYKNRARJNKNHE-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCSCC[C@@H]1CCCC[C@]1(C#N)NCC 2295710941 KQGUEHYUUWOGCF-DLBZAZTESA-N 296.524 4.752 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(Br)c1 2304041072 LEEJUOPRWYRAAV-AWEZNQCLSA-N 296.252 4.702 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(Cl)c(Cl)cc1C 2304114218 BSISPIQPCYQYOI-ZDUSSCGKSA-N 273.203 4.938 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H](C)CCCC 2316738238 FYEAWFDIXXVIEL-RDJZCZTQSA-N 251.458 4.949 30 10 CJEE CCC(C#N)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1C 2318150216 FCKLZDOHGPQCBV-CYBMUJFWSA-N 286.202 4.665 30 10 CJEE C=CC1(CN[C@@H](C)C2(Cl)CCCC2)CCCCC1 2318322835 QDCSYDZWEBUUSR-AWEZNQCLSA-N 269.860 4.653 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1c(Cl)cc(F)cc1Cl 2318357784 FQRNNQRCAFKKQB-YUMQZZPRSA-N 285.145 4.672 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC(C)(C)C2)C1 2319034282 KTIKKKOUSRJWRI-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1c(Cl)cccc1Cl 2321095895 NAHIGPSYPCGSKA-LSDHHAIUSA-N 286.246 4.856 30 10 CJEE C=CC1(C[C@@H](O)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1 2329945446 FYTNHLPTJQZPBQ-MWDXBVQZSA-N 262.437 4.700 30 10 CJEE CC(=NOCc1ccccc1F)c1ccc(C(C)C)cc1 2330454007 LMNUTENXPBKWKZ-UHFFFAOYSA-N 285.362 4.890 30 10 CJEE C=CCC(CC=C)NCC1CCC(C(C)(C)C)CC1 2335205909 HDMSNXSXGXUTDR-UHFFFAOYSA-N 263.469 4.949 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](OC)C[C@H](C)N1 2336670151 CASRPNFMRAAUMS-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)C1CCC(C)(C)CC1 2337114700 SSGRIHQIAHBKKE-USXIJHARSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cccc(C(F)(F)F)c1 2338689991 BCRDLJALDCLTRD-CQSZACIVSA-N 270.294 4.507 30 10 CJEE C=CCC(CC=C)N1CCC[C@H]1C1CCCCCC1 2338728631 XCDXUMUNRBXDHC-SFHVURJKSA-N 261.453 4.942 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]2(C)CC=CCO2)CC1 2339859181 VOVSCFJPXLTVDX-SJORKVTESA-N 261.409 4.612 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC(C)(C)[C@@H]1C 2340644191 PEHHMPQKWVNJDZ-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=CCCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NCCC 2342332708 GZXJJAPTDLIQGX-KSZLIROESA-N 263.469 4.927 30 10 CJEE C=C([C@@H](NCC)c1ccc(C)cc1SC)C(C)(C)C 2342391591 MHHNBIZZKCGHEF-MRXNPFEDSA-N 277.477 4.970 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C2CCC2)c1 2343785367 KGIVQSQVZWWHCN-GOSISDBHSA-N 257.421 4.961 30 10 CJEE C=C[C@H](C)N(C)[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343887500 OJNLYEGJMCFUCX-FZMZJTMJSA-N 271.326 4.663 30 10 CJEE C#CC[C@@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C1CC1 2353051771 OOWHWVNXDKFBDZ-IAQYHMDHSA-N 296.241 4.754 30 10 CJEE CSc1cc(Oc2cc(F)cc(Cl)c2)ccc1C#N 2353825281 BEFZFPTZKBSQQD-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1 2353912989 CPZGTDYMHZYNNB-HCXYKTFWSA-N 275.480 4.927 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(Cl)cc2Cl)c1 37936801 ZWDSVGXCZJWDGH-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CC(C)CC[C@@](C)(C#N)Nc1ccccc1Br 37938534 FTYICMKWEYXXFN-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE Cc1cccc(Sc2c(C#N)cnc3ccccc23)c1 40696045 SFSPJFIKIDJKOO-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE Cc1ccc(C(C)(C)C)cc1-c1ccc(C#N)s1 41325851 MPTPVAKHGIQDAD-UHFFFAOYSA-N 255.386 4.893 30 10 CJEE CC[C@H]1CS/C(=N\c2cccc(Oc3ccccc3)c2)N1 44483261 VLBFVQNNNYDRGK-ZDUSSCGKSA-N 298.411 4.581 30 10 CJEE Cc1ccc(C)c(OCC[C@@H](C#N)c2ccc(F)cc2)c1 57685717 MDTMFEJOPJLAQM-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCCc1oc(-c2cccc(OC(C)C)c2)cc1C#N 77081387 APHGLZFOZPXLEM-UHFFFAOYSA-N 269.344 4.558 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](CC)CC2)C1 79341395 NHYNYMMPMUDAEH-BSDSXHPESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CNCC(C)C 91464883 YBSIBPLVRLXPLP-GOSISDBHSA-N 285.516 4.904 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(C)cc2C)CC1 91882520 VLIDKVSAMOSOOM-CUYAVPTFSA-N 285.431 4.837 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc2ccccc2c1)NCC 97419519 QCSWCLSNMKMFNO-IBGZPJMESA-N 267.416 4.717 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(Br)ccc1F 107587759 FDRWUQRINITZBK-GHMZBOCLSA-N 283.184 4.741 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(OC(F)(F)F)cc2)c1 110252219 ZUVNVZXEJBROFX-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE N#Cc1cc(Cl)ccc1O[C@@H]1CCCc2ccccc21 110260008 XXROYAIZVLZRJT-QGZVFWFLSA-N 283.758 4.668 30 10 CJEE CCCCCCCCCCn1nc(C)c(C(C)=O)c1C 110267713 RFVICKGKGRUHNS-UHFFFAOYSA-N 278.440 4.843 30 10 CJEE Cc1ccccc1CSCCCOc1cccc(C#N)c1 110354918 WSFCUBYZXXVNRI-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 111650419 SFFHWUFHQJGWHV-FZMZJTMJSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCCC[C@H](O)[C@@H](CN)CC(C)C 115863124 GFMAZQUPARYECN-MSOLQXFVSA-N 285.516 4.889 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1cccc(OC)c1 116634580 GHEIFZBXVSNZHG-QGZVFWFLSA-N 278.436 4.597 30 10 CJEE CC(C)(C)c1cccc(Oc2cc(C#N)cc(Cl)n2)c1 122568461 CMMNTMHKQUIRFL-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE N#Cc1oc2ccccc2c1Oc1cccc(Cl)c1C#N 126005134 UMQIOFGUTIPWFA-UHFFFAOYSA-N 294.697 4.622 30 10 CJEE CCCCCCCC[C@@H](NN)C1(c2ccccc2)CCC1 126177359 WFDCLSDLAIJUFP-GOSISDBHSA-N 288.479 4.691 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1ccccc1F 127326676 DSNUSWFLTGTPTQ-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CCSc1cccc(NC2C[C@H](C)C[C@@H](C)C2)c1C#N 130549296 WAIHYKRFKTVGDR-CHWSQXEVSA-N 288.460 4.907 30 10 CJEE Fc1ccc(C(F)(F)F)cc1NCCCC(F)(F)F 133763372 JZTQHEOTSBSKII-UHFFFAOYSA-N 289.194 4.599 30 10 CJEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1cc2ccccc2o1 134684557 YCUAHKIKVCWFEG-RYUDHWBXSA-N 296.395 4.778 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(N(C)C)c1 135350034 SIUISQCAFZIKKG-GOSISDBHSA-N 277.452 4.927 30 10 CJEE CCCCCCC[C@H](NC)C1CCC(F)(F)CC1 139663322 YEDUXTKPMLKGOQ-AWEZNQCLSA-N 261.400 4.760 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cnsn1 143498127 WHWZOUVQAXXQDW-CQSZACIVSA-N 283.485 4.849 30 10 CJEE CCCCCCCCNC(=O)c1ccc(NCC)c(C)c1 147340150 SPXKESHUKPAPMI-UHFFFAOYSA-N 290.451 4.517 30 10 CJEE C=CCCC[C@H]1CCCCC[C@@H]1CNC(C)(C)C 155856046 BSMKVGCXVWCFPL-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 162616094 WBUAMKZIJALDEM-RKDXNWHRSA-N 276.182 4.748 30 10 CJEE CN(C1CCCCC1)[C@@H](C#N)c1cccc2ccccc12 213031723 OYPZOJHNILLPTH-IBGZPJMESA-N 278.399 4.669 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 218323178 AOEAYAHAMPBSEG-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C#CCCC[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 228990953 NZVLEZFYXYSCCJ-MWXXRFSMSA-N 274.448 4.538 30 10 CJEE CCCC1CCC(c2noc([C@H](C)CCC#N)n2)CC1 232914583 NYCNKAWPJJCQBP-IYXRBSQSSA-N 275.396 4.551 30 10 CJEE CCCCN(C[C@H](CS)c1ccccc1)[C@H](C)CC 249786467 HUQKMAPICNQLQU-NVXWUHKLSA-N 279.493 4.601 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@@H]2[C@H](C)C#N)cc1 251017248 BDZNNHQRMNYMRH-XYPHTWIQSA-N 257.377 4.519 30 10 CJEE CCCCC(=NNc1nc2ccccc2o1)c1ccccc1 254905033 KCJYPXIFXHMRNZ-UHFFFAOYSA-N 293.370 4.834 30 10 CJEE C=C(CC)CNc1cc(F)c(Br)c(Cl)c1 308800285 AGTOKNXKLOJHRV-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE C=CCCCCN[C@H]1CCSc2ccc(Cl)cc21 310876445 HARGGBSKRRVBAJ-AWEZNQCLSA-N 281.852 4.823 30 10 CJEE C=CCCCCCCNc1cc(N)cc(OC(C)C)c1 312512201 ZVGWOGBWTYFGOO-UHFFFAOYSA-N 276.424 4.604 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccccc21 312613428 VLMSAMHCFNEVGH-APPDUMDISA-N 282.774 4.872 30 10 CJEE CCC1CCC(C=O)(Cc2c(C)cccc2C)CC1 316909171 VDSARGUDRMYCEN-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE CC(C)C1CCC(C=O)(Cc2ccc(Cl)s2)CC1 317077164 CBUFDSVYQOBDCT-UHFFFAOYSA-N 284.852 4.976 30 10 CJEE CC1CCC(C=O)([C@@H]2CCOC3(CCCCC3)C2)CC1 317191581 KIQJFJLYUHQVBL-AQFXKWCLSA-N 278.436 4.511 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2nc(C(C)(C)C)cs2)C1 317267570 HDHSNHXXJVPMTR-SUMWQHHRSA-N 293.476 4.769 30 10 CJEE C=CCCC1(CNCC(C)C)CCC(CC)CC1 318000598 HKGHFTCSJPGTIO-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C[C@H](NCC#CC(C)(C)C)c1ccc(Cl)cc1Cl 380718399 GHGFVALEGHOKJA-NSHDSACASA-N 284.230 4.694 30 10 CJEE C#C[C@@](C)(CC)NCc1c(Cl)ccc(Cl)c1Cl 384180380 PVXAKQJNLCXFCQ-ZDUSSCGKSA-N 290.621 4.538 30 10 CJEE C=C(COC(C)C)[C@@H](C[C@@H](C)CC(C)(C)C)NCCC 387642685 INYUDNHHTRMPKC-NVXWUHKLSA-N 283.500 4.798 30 10 CJEE C=C(COCCC)[C@H](NCCC)C(CCC)CCC 387678587 RQIKSYIESSRQKZ-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@H](C)C(C)(C)C)CC1 388550309 VISNQLZCLQGHCT-BOLLXYOYSA-N 265.441 4.530 30 10 CJEE Fc1cc(C(F)F)cc(F)c1SC(F)(F)F 396115480 WJNBERDJHZUHTF-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Br)ccc1C 398093302 PZTFVXMVGKTJJM-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE CCCCCCC[C@H](N)CC(F)(F)c1ccccc1 401147883 VULXSPINXFPCQA-HNNXBMFYSA-N 269.379 4.856 30 10 CJEE CCCCCCCCCCNCC1(C#N)CCCC1 405125120 ABTZLVOSPIFNLS-UHFFFAOYSA-N 264.457 4.801 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)c1cccc(F)c1 410370110 ZREGBBLYZMZWGG-CQSZACIVSA-N 297.373 4.687 30 10 CJEE N#Cc1ccc(-c2cc(Cl)ccc2Cl)c(F)c1 514261093 UCRRPVJVQZGPQN-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE N#CCc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)n1 514263387 WEGZWIKTFAXELT-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C(C)Cc1c(O)c(Cl)cc(Br)c1Cl 606298372 XYJXMTNDTSZNTB-UHFFFAOYSA-N 295.991 4.580 30 10 CJEE C#CCCCCCOc1ccc(C(C)(C)C)cc1C 686673591 CKGKCNCIFVAMGX-UHFFFAOYSA-N 258.405 4.865 30 10 CJEE CCCCCCCCCCOCCC1(N)CCCC1 686911725 MFDYGVSEDZQACF-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCCSCC1 690293719 XOBPXERBBKJSNV-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCC(C)(C)CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 697212567 YBHUDAFTJLJVEK-GFCCVEGCSA-N 298.213 4.996 30 10 CJEE CCCCCCC[C@H](NN)[C@@]1(C)CC[C@H](C)C1(C)C 699135792 QSFRMZUSSZYUHK-YQQAZPJKSA-N 268.489 4.641 30 10 CJEE CCCCCCCc1ccsc1CNC1CC1 703176334 ANNZDOYOYULSNU-UHFFFAOYSA-N 251.439 4.513 30 10 CJEE CCC[C@H]1CCCCN(C[C@@H](C#N)C2CCCCC2)C1 703254911 LEHDVDSGWQFVRM-FUHWJXTLSA-N 276.468 4.609 30 10 CJEE CCCCCCCCCCO[C@@H]1CCNCC(C)(C)C1 703830644 DYYWUUXCIYATIK-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1C[C@H]1C(C)(C)C 704082376 DFHVQANHLLJSCV-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1ccccc1F 704931094 VFOQFPALJZJMOW-TYNCELHUSA-N 263.381 4.636 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)[C@@]12CCCC[C@@H]1C2 709200032 HVEWJBOGUYWGHV-GHJWDPDVSA-N 274.795 4.592 30 10 CJEE CC(C)(COc1cccc(Cl)c1C#N)CC(F)(F)F 710394022 KKCJMWXRBUFNQY-UHFFFAOYSA-N 291.700 4.569 30 10 CJEE CCCCCCCO[C@@H]1CCCCC(C)(C)[C@H]1NCC 719238327 HMLHXIXAZHPUDE-SJORKVTESA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCCCC2(C)C)C1 719375469 YHLFTGLFWCKRLE-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(Cl)ccc2F)CC1 724549788 JTETZIIOSQENNA-HNNXBMFYSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@H](NCC)C(CC)(CC)OCC)CC1 724571844 WMAKUUXMRARWAZ-KRWDZBQOSA-N 281.484 4.696 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CCCc3sccc32)CC1 724589197 BPEXILMBBFPZAK-AWEZNQCLSA-N 274.429 4.874 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(SC(F)(F)F)cc1 1125109404 KPVOARGVLVNWPM-UHFFFAOYSA-N 289.322 4.593 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 1126062694 FLIKTNZPCYFMAI-DLBZAZTESA-N 291.479 4.654 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1coc2c(C)cccc12 1130905353 XZLYFGISJWRAFD-YOEHRIQHSA-N 297.398 4.606 30 10 CJEE C=C(C)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 1164310575 PVWDDARBXDYRSB-UHFFFAOYSA-N 287.366 4.920 30 10 CJEE C=CCCCSc1nccn1-c1ccc(C)cc1C 1165238842 MBRBZVZFRARJAN-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE CCCCCCCCCN(C)Cc1ccc(C)cn1 1167147271 SSATXYANHLXNFK-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cc(C)ccc1C 1168925392 OIOQOARXPRHMSV-KRWDZBQOSA-N 257.421 4.538 30 10 CJEE C#CCC1(NCc2ccc(C(C)C)cc2C(C)C)CCC1 1176381187 KICCVLPUAPWRIL-UHFFFAOYSA-N 283.459 4.969 30 10 CJEE C=CCCCC[C@H](C)NCc1cccc(C(F)F)c1 1180897844 ZQWYCASXFIWKDC-ZDUSSCGKSA-N 267.363 4.849 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCc2ccccc21 1182781646 MPJMBBLNBNSVJM-CRAIPNDOSA-N 257.421 4.789 30 10 CJEE C=CCC1(NC(=O)Nc2cscc2Cl)CCCCC1 1208824130 XSGHGHGEOMRMHT-UHFFFAOYSA-N 298.839 4.802 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cncs1 1258230535 XONAWIGGUODCPP-CQSZACIVSA-N 268.470 4.762 30 10 CJEE C#CCOc1ccccc1CNc1ccc(C2CCC2)cc1 1308389040 WKTQDQKMFGJVPM-UHFFFAOYSA-N 291.394 4.578 30 10 CJEE C=C(C)c1cccc(NCc2ccc(OC)cc2C)c1 1308543392 HYKPHPWHHDKRTJ-UHFFFAOYSA-N 267.372 4.649 30 10 CJEE C=CCN(Cc1ccccc1F)C(=O)C(CC)(CC)CC 1355768281 QSVBVADHFLGWDN-UHFFFAOYSA-N 291.410 4.557 30 10 CJEE C=C(C)CCNC1(c2c(Cl)cccc2Cl)CCC1 1460047708 CDJVAWCHJPOGGB-UHFFFAOYSA-N 284.230 4.928 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CC(c2ccccc2C)C1 1462429120 UFHXTZIEBRXVRV-KMEYYKJISA-N 283.459 4.966 30 10 CJEE C=CCCCCCN1CCC[C@H]1Cc1cc(F)ccc1F 1473559512 KJSIDLIREWEAPO-KRWDZBQOSA-N 293.401 4.718 30 10 CJEE C#CC[C@@H]1CCCN(Cc2c(CC)ccc3ccccc23)C1 1473581944 RQWAOKOGSZMRPJ-QGZVFWFLSA-N 291.438 4.638 30 10 CJEE C=CCC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCC1 1474145826 WWKBKSKJBISCCJ-ROUUACIJSA-N 269.432 4.516 30 10 CJEE C=CCC1(C(=O)NC[C@@H](CCC)CCCC)CCCC1 1517874329 PSFJOAWNUXKPGZ-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@@H](C(C)(C)C)C1)c1ccccc1 1519881729 WAPCGOIXHILPML-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=CC[C@H](CC)NC(=O)CCCc1ccc2ccccc2c1 1538548189 LAKSHIJWAOOPBZ-IBGZPJMESA-N 295.426 4.633 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@@H](CCC)C1)c1ccccc1 1544075797 HUKKRNWYUIHVML-MJGOQNOKSA-N 299.458 4.775 30 10 CJEE C=CCCCCCN1CCC(c2ccc(F)c(F)c2)CC1 1559833897 OXFKWYRFWUBNAE-UHFFFAOYSA-N 293.401 4.891 30 10 CJEE C=C(C)CCN1CCCCc2ccc(Br)cc21 1560101985 ATMKWYZJCJAABE-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE C=CCCC[C@H](C)NC(=O)C(CC)(CC)c1ccccc1 1583437093 MYGVBZUYLIKROW-INIZCTEOSA-N 287.447 4.605 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1585828242 UHMWMQZCZSODGB-QAPCUYQASA-N 299.458 4.809 30 10 CJEE C=CC[C@@H](C)Sc1nc2cc(F)cc(Cl)c2o1 1613723335 HYVMWCHRSZATDU-SSDOTTSWSA-N 271.744 4.677 30 10 CJEE C=CCCN(CCC1=CCCCC1)OCc1ccccc1 1617331447 GVTJDLVMBDHYOU-UHFFFAOYSA-N 285.431 4.887 30 10 CJEE C=CCC[C@@H](CCC)NCCC[C@@H]1CC1(Cl)Cl 1621417544 JYXVUINVNWUSCX-CHWSQXEVSA-N 278.267 4.685 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC1(CCC)CC1 1624131383 KDWJUQOTGJFMOX-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 1631003591 QMHFMADQJOUURC-LJQANCHMSA-N 293.410 4.860 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 1645064343 WPPIPJNBCGKTKU-GVDBMIGSSA-N 291.479 4.654 30 10 CJEE C=C(C)c1cccc(NCc2cnc(Cl)c(C)c2)c1 1651651215 DXUJIFUHQDTNDA-UHFFFAOYSA-N 272.779 4.689 30 10 CJEE C=CC[C@@H]1N(CC2CCC(F)(F)CC2)CCCC1(C)C 1653456440 IIMMGHDVNCKKBS-HNNXBMFYSA-N 285.422 4.879 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(Oc2ccccc2)o1 1655985802 ZAVHRKWUHNSQPH-HNNXBMFYSA-N 285.387 4.906 30 10 CJEE C=CCCC1(CNCc2ccsc2C)CCCC1 1657669294 RJLUFOWAHWQYNV-UHFFFAOYSA-N 263.450 4.673 30 10 CJEE C=CCCCN[C@@H](c1ccc(CCC)cc1)C(C)C 1657885146 PIXSDPIWUPIIOM-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C=CC[C@H]1N(CC[C@H]2CC2(Cl)Cl)CCCC1(C)C 1658466810 YBFXOAUAXKEETA-QWHCGFSZSA-N 290.278 4.637 30 10 CJEE C=C(C)c1cccc(NCc2ccc(N(C)C)c(F)c2)c1 1658720799 CFVBHSCGYVKCHA-UHFFFAOYSA-N 284.378 4.537 30 10 CJEE C#Cc1ccc(NC2CCC(C)(c3ccccc3)CC2)cc1 1660864515 QPZNXKZHUOOUJF-UHFFFAOYSA-N 289.422 4.980 30 10 CJEE C=CCCC[C@H](NCc1ccc(COC)o1)c1ccccc1 1663160565 GMMFNSHNMFKIRF-IBGZPJMESA-N 299.414 4.613 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)c2ccc(C)cc2)c1 1675381753 JZOUFTZXCHDRRG-UHFFFAOYSA-N 280.371 4.696 30 10 CJEE CC1CCC(=NOC(=O)c2ccc(C(C)(C)C)cc2)CC1 1860464814 WYSGVYCPTUNOOW-UHFFFAOYSA-N 287.403 4.707 30 10 CJEE CC#CCCC[C@@H]1C[C@H](NCCC)CC2(CCC2)C1 1879651531 UENWPAIIWIVXPK-SJORKVTESA-N 261.453 4.519 30 10 CJEE C=CC[C@@H](C)c1cccc(OCc2ccccc2)c1 1886859967 ZWONBGWBYPMOFR-OAHLLOKOSA-N 252.357 4.945 30 10 CJEE C#CC[C@@H](C)CC1(CNCCC)CCC(C)(C)CC1 1887476550 TYJCZTHAUFBGBW-MRXNPFEDSA-N 263.469 4.622 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@H]1CC2 1888232350 ZNAQCAJYDIFPDP-IHPCNDPISA-N 283.459 4.891 30 10 CJEE C=C(CN(CC)C1CCCCCC1)c1ccccc1 1888625634 YOSSIHMVNOQLSF-UHFFFAOYSA-N 257.421 4.745 30 10 CJEE CC=C(CC)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 1892822706 MCMFEZSVNGIDEC-DWLODGJJSA-N 260.421 4.908 30 10 CJEE C=C([C@@H](NCCC)C1CC2(CCCC2)C1)C(C)(C)C 1912624924 NXFLBUDVKZVSKC-MRXNPFEDSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@@H](OC(C)(C)C)C1 1913996645 MZDKMMVAVRHUOZ-XHSDSOJGSA-N 270.457 4.692 30 10 CJEE CC[C@](O)(CC#CC1CCCCC1)c1ccc(Cl)cc1 1919912703 AYBZVVSBZYZQED-SFHVURJKSA-N 290.834 4.911 30 10 CJEE CC[C@@](O)(c1ccc(Cl)cc1)C1(C#N)CCCCCC1 1921034124 QNZDVXWZKDAXOG-QGZVFWFLSA-N 291.822 4.802 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CC[C@H]1CC1(C)C 1921527375 ORPHQYKUFKQCGZ-ULQDDVLXSA-N 283.500 4.642 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)ccc1Cl 1925538336 IPXLYTRMYVXTAG-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE 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C=CCC[C@H](NC)c1cc(Cl)c(Cl)cc1Cl 1993450377 LZBCKLRUSISQPC-LBPRGKRZSA-N 278.610 4.874 30 10 CJEE CCCC[C@](C)(C#N)Cc1cc(Br)ccc1F 2000515082 PSVSGNOQUVTQSZ-AWEZNQCLSA-N 298.199 4.851 30 10 CJEE C=CCC[C@H](C)N[C@H]1C[C@H](C)Sc2sccc21 2002057198 NFSMAMOXAWMENT-GVXVVHGQSA-N 267.463 4.618 30 10 CJEE C=C1CC(CC(=O)c2cc3sc(C)cc3s2)C1 2011069030 AJCMFXGETREVRW-UHFFFAOYSA-N 262.399 4.810 30 10 CJEE CC#CCCC[C@H](NCC)c1cc(C)c(Cl)s1 2018322019 CZZYUIQQBUNRHI-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE C=C(C)CN(Cc1cccc(Cl)c1Cl)C(C)C 2019231205 RIBTVSJFDVPUEP-UHFFFAOYSA-N 272.219 4.780 30 10 CJEE C=CC[C@H]1CCCCN(Cc2cscc2Cl)C1 2019417839 VGFHPRLROWWDSY-LBPRGKRZSA-N 269.841 4.580 30 10 CJEE C=CCCCCN(C)Cc1cc2sccc2s1 2025223478 LCWWRSUZQAQKLG-UHFFFAOYSA-N 265.447 4.751 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CC[C@@H]2CCCC2(F)F)C1 2027650385 KULVCUBIVTWWDV-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE CC1(C)CCC[C@]1(C=O)Cc1ccc(Cl)cc1Cl 2032103088 GYUSXUILPAKSDI-OAHLLOKOSA-N 285.214 4.931 30 10 CJEE 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RTGIWGGSSYEONK-BGRSTHORSA-N 289.419 4.673 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2c(Cl)cccc2Cl)C1 87973405 MTCYPDTUEDVKIZ-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@@H]1CN 91323990 AZLVYQDOEHWQPQ-RTBURBONSA-N 296.543 4.967 30 10 CJEE C=C(C)C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 92129477 JQLGKBVSQUTNIK-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE N#C[C@@]1(CCSc2ccccc2)CCCc2ccccc21 92273545 JXOBRLZCPUBVJE-IBGZPJMESA-N 293.435 4.967 30 10 CJEE C[C@@H]1Cc2ccccc2N1CC1(CS)CCCCCC1 94578433 ZPXGQTDWSRGZCL-OAHLLOKOSA-N 289.488 4.708 30 10 CJEE C/C=C/c1ccccc1OCCCCCCS 94583902 RNOKCJWODWADTK-XNWCZRBMSA-N 250.407 4.589 30 10 CJEE CCC(CC)(CS)COc1cc(Cl)ccc1C 94585988 PJXNDUOTEBCLFW-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE CCC1CCC(C#N)(Cc2cc(F)ccc2C)CC1 97856942 SDPZILDRKCFEKV-UHFFFAOYSA-N 259.368 4.787 30 10 CJEE CCCCCCCO[C@@H](CNCCC)c1ccccc1 110067990 JJVCGAACDYKYHN-SFHVURJKSA-N 277.452 4.714 30 10 CJEE CCCCCCCO[C@H]1CCCc2ccccc2[C@@H]1NC 110081646 WETFHEZHXLSQPS-OALUTQOASA-N 289.463 4.639 30 10 CJEE CCCCCCCCOc1cc(C)ccc1C(C)=O 110962516 KJYOCAWCWKKMON-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CCCCCCCCCCCCN[C@@](C)(CC)CO 113107509 DGQFWCCUGIUXDF-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OCCC)c1 115831344 MBQUPSORBVEAQE-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCCCCCCC[C@H](N)[C@@](C)(CC)N(CC)CC 118156161 VBVSHYFBZMYMEX-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C#CCCC[C@H](NCCC)c1cc2sccc2s1 122834407 ZIICZKZGPQMRKB-LBPRGKRZSA-N 277.458 4.807 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccc(C#N)cc1 124829378 SQFUHCNNSTWMPX-GOSISDBHSA-N 273.420 4.906 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(OC(F)F)cc1 125695809 BKIJQELSOMCNDN-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccn(C(CC)CC)n1 125726022 LVZQPVSYQVPHPE-GOSISDBHSA-N 294.483 4.898 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc2ccc(F)cc2s1 125789565 RJBNOLICURZTJE-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE C[C@](O)(c1cc2ccccc2s1)C1(C#N)CCCCC1 127298668 MSYBMUVCMHTFRA-INIZCTEOSA-N 285.412 4.583 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 128039242 ZQOMJPQHYOYXDA-NXEZZACHSA-N 258.192 4.609 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCOC2(CCCC2)C1 132463239 HECUXYULVUBIBS-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCCC(C)(C)Nc1cccc(SCC)c1C#N 133728000 PGUNGJRYVGBZOF-UHFFFAOYSA-N 262.422 4.661 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2ccc(Cl)c(C)c2)cc1C 138251296 JWTSTDZYXPQMCM-INIZCTEOSA-N 297.785 4.755 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1ccnn1C 143507881 FRXCRJTXHOCMKU-INIZCTEOSA-N 279.472 4.731 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@H]([C@@H](C)CC(=O)O)C1 155920839 NSWIBYYJCUMGTR-ULQDDVLXSA-N 297.483 4.558 30 10 CJEE CCCCCCCC1(CNC(C)C)C[C@@H]2C[C@H]2C1 157483586 XAOYRACXQVBOFK-HOTGVXAUSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCCS1 160924366 NXBOYEHEBBKVSA-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE N#C[C@H](c1ccccc1Br)C1CCCCC1 167867795 KWJRESMYRPDHJT-ZDUSSCGKSA-N 278.193 4.637 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 168957852 ZUJDOWZOVDRGEZ-QMTHXVAHSA-N 282.309 4.568 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@@H](CC)CC2 216968973 WVAIKFFCNNLKAX-AWEZNQCLSA-N 262.441 4.828 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CCC(C)C)C2CC2)C1 222802075 WOEVCQQYQCECMN-RYRKJORJSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)CCC[C@@H](C)N 226398067 DUWARBMDOUMPCE-JKSUJKDBSA-N 269.473 4.850 30 10 CJEE C=CCC[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 227672899 JAWRGMCEABRLPM-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(C2(C#N)CCC(C)CC2)C1 230794784 DGWOCGSKSGMJMR-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE CCC(CC)N(CCCCC(C)(C)C#N)CC(C)C 232902622 FSEKTJQVBASTSP-UHFFFAOYSA-N 266.473 4.853 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(OCC)CCCC1 233124000 GUOHYHKAHGFXHB-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCSc1ccc([C@@H](C)O)cc1 235244305 INPJAGJKAVLEQM-CYBMUJFWSA-N 250.407 4.578 30 10 CJEE C=C[C@@H](C)Nc1ccc(Br)c(Cl)c1Cl 235268723 IFTHCKAVYVDOSM-ZCFIWIBFSA-N 295.007 4.742 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(C(F)(F)F)cc1 236537692 KLTNUEXTEPEDTF-AWEZNQCLSA-N 272.310 4.875 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NCC1(CC)CC 250833432 SLGNDSLYIFPLOO-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCC1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)CC1 251289910 FZNXRAIBDPTBOX-OKZBNKHCSA-N 290.495 4.853 30 10 CJEE C(#Cc1cc(-c2ccccc2)cs1)c1ccccc1 253596739 VMAWUBGVLNDJES-UHFFFAOYSA-N 260.361 4.815 30 10 CJEE CC(C)(C)c1cc(C2CCCCC2)cc(C=NO)c1O 254506790 FVAKPXJRJLTZQA-UHFFFAOYSA-N 275.392 4.546 30 10 CJEE CC(/C=C\c1ccccc1)=NOC(=O)c1ccccc1Cl 254745231 RCYWWQPAOZXGFF-FHGPLBFVSA-N 299.757 4.586 30 10 CJEE Cc1cc([C@@H](C)CC=O)cc(C)c1OCc1ccccc1 258570622 KTNBOATTWMWUKL-AWEZNQCLSA-N 282.383 4.575 30 10 CJEE Cc1cc2c(CC(C)(C)C#N)cccc2n1C(C)C 260404526 QSZYZOALYNVTIT-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC(C)c1nc2cc([C@@H](CC#N)C3CC3)ccc2s1 260473523 JQPNZEWCHIWBOD-ZDUSSCGKSA-N 270.401 4.827 30 10 CJEE N#C[C@]1([C@H]2C=CCCCCC2)CCc2ccccc2C1 312755860 ZTZUVNUVNDMHIM-OALUTQOASA-N 265.400 4.822 30 10 CJEE CCCCCCCCCCCCNC[C@H](O)C1CCC1 315988633 OSHASZDLDMIPGE-SFHVURJKSA-N 283.500 4.658 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCSc1ccccc1 317433773 PVUZFRKXPAQOKI-ZBFHGGJFSA-N 262.418 4.564 30 10 CJEE C=C(C)CCC1(CNCC(C)C)CCC(C)CC1 317927778 QOAKSJBVCXFBIM-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCCS1 317930136 NDYGGRICOJUYGP-OAHLLOKOSA-N 257.487 4.611 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CCC[C@H](C)C1 319985570 OOJUPDQLWUKNPY-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@H]3CCCC[C@H]3O2)C1 380995403 HSOQNJQFQFGLDW-UYTYNIKBSA-N 275.436 4.834 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2nc3ccccc3s2)C1 382141662 CUQFPJOOJKOYSZ-LRDDRELGSA-N 270.401 4.658 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 385165374 LTACBQWSFYBDBW-SECBINFHSA-N 290.209 4.995 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc2sccc2c1 386238525 AJBSNZPXIOSTRY-HNNXBMFYSA-N 271.429 4.601 30 10 CJEE C=CC[C@@H](CC)N[C@@H]1c2ccccc2CCC1(C)C 393768396 FQYUCYSVBKNAQF-NVXWUHKLSA-N 257.421 4.644 30 10 CJEE CCCCCCCC(=O)[C@H](CC)C(=O)[C@@H]1CC1(C)C 397692685 NMENHOHREFMQPV-KBPBESRZSA-N 266.425 4.557 30 10 CJEE CCCCCCCCC[C@@H](N)CC(F)(F)C(F)F 400857994 BLMUQUBVCLRHON-LLVKDONJSA-N 271.342 4.745 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CO[C@@H](C)C1 401852257 XLANKCSMQHGSJW-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE N#CC[C@@H](Nc1cccc(C2CC2)c1)c1ccccc1 690171904 RYGNDFMJTJMPSQ-GOSISDBHSA-N 262.356 4.631 30 10 CJEE CC(C)(C)C#CCNc1ccc(SC(F)(F)F)cc1 690222276 YWXALUZJUDNURJ-UHFFFAOYSA-N 287.350 4.760 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(C#N)Nc1ccccc1 691083584 VGPCYGZGEXJHGN-SJORKVTESA-N 256.393 4.597 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cc(C#N)cc(F)c1C 691114115 YBYXZRKDVNGRMD-GDBMZVCRSA-N 274.383 4.777 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@H](C)O 691315756 YHRCJQNYVQIWHJ-KRWDZBQOSA-N 271.489 4.610 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(F)c2F)c(Cl)c1 691333407 YWZQCPQXPCHPIK-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCC[C@](CC)(C(=O)O)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 691849623 VIFFFFHNDHTYQC-MPTYRVRUSA-N 279.424 4.624 30 10 CJEE Cc1ccc(N[C@H](C#N)c2csc(C(F)(F)F)c2)cc1 703312759 VLLBOCNHKJQGAB-GFCCVEGCSA-N 296.317 4.752 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1CC(OC)C1 703488797 RVJBVXWRIMIYMK-ABHNRTSZSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCC[C@@H](CN)C1 713802921 UPWIVZXKKHENNW-SJORKVTESA-N 281.484 4.851 30 10 CJEE N#C[C@H](C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1cccs1 714406536 FAQJZVAAZXYNCG-BARDWOONSA-N 287.428 4.531 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(F)cc1Cl)NCCC 715723619 YWYTVPVNZJYKIM-LRDDRELGSA-N 283.818 4.602 30 10 CJEE C=C(CN[C@@H]1CC(C)(C)CC[C@H]1C)c1ccccc1 717483954 PDJRYLLBNRQVRK-RHSMWYFYSA-N 257.421 4.504 30 10 CJEE C=C1CCC(C[C@@H](O)C2C3CC4CC(C3)CC2C4)CC1 724560407 WBEUTWCTQNLVIG-OIAUPDTQSA-N 274.448 4.556 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CCCCC2(C)C)CC1 724616978 KABLFSGNEUVJEH-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE CCc1ccc(CC#N)c2scc(C(F)(F)F)c12 725302724 QKKRSYFXOQGVAQ-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE N#Cc1cc2c(C(F)(F)F)ccc(C(F)(F)F)c2s1 725324837 ULZABDXZQKHREZ-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Cc1ccc(NN=C2CCC(c3ccccc3)CC2)nc1 727259587 HESZNHNEOYBQQB-UHFFFAOYSA-N 279.387 4.516 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(SC(F)F)cc1 775547757 AFFSEECMDZQDMA-NSHDSACASA-N 271.376 4.618 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1ncc(C)s1 788797966 IKWOGCSABGHHFB-UHFFFAOYSA-N 286.444 4.916 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1cscn1)c1ccccc1 883327456 ZPVALPWTIOGKAS-GOEBONIOSA-N 286.444 4.891 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1124673641 VVINFAVKCQCFIP-INIZCTEOSA-N 279.811 4.510 30 10 CJEE C=CC[C@@H](C(=O)NCC(C)(C)C(C)(C)C)c1ccccc1 1129346097 YTSRDANAGPBWQI-MRXNPFEDSA-N 287.447 4.535 30 10 CJEE C=CCCCCCCCNC(=O)c1c(C)cc(C)cc1C 1129465796 KEZKCUDFJWOMFP-UHFFFAOYSA-N 287.447 4.868 30 10 CJEE C=CCCC1(CNC(=O)C(C)=C2CCCC2)CCCC1 1147172314 OMRRLVQFZMXVGJ-UHFFFAOYSA-N 275.436 4.520 30 10 CJEE CCCCCCC[C@@H](C)NCc1ncccc1Cl 1258039475 REMBYUOMQKURIK-CYBMUJFWSA-N 268.832 4.574 30 10 CJEE C=CC[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1 1264099235 RPUHQSYPJKSWEY-MRXNPFEDSA-N 285.774 4.638 30 10 CJEE C=CCC1(C(=O)NCCCC2CCCCC2)CCCCC1 1264516951 YFPKYNDUVWQJRJ-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE 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30 10 CJEE C=CCCCCCC[C@](C)(OCCCN)C(C)(C)C 2276144528 GXNPKBVHXCHJKL-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C(C)CC[C@@H](CCCCCCCCC)OCCN 2276219720 DNNFUYFKAUROFF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H](CC)C(C)C 2276574853 IFYGHFIXWJPWMP-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H](C)C(C)C 2276789196 ALEWFOBYMQSPMM-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1ncccc1C 2278177244 GTBRJYZHHKGBCC-QGZVFWFLSA-N 262.441 4.705 30 10 CJEE C#C[C@@H](N[C@H](C)CCCCCCCCC)C1CCC1 2278228001 DGDQHGSWTRYVSS-SJLPKXTDSA-N 263.469 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COC(C)(C)C1 2278236449 QOSFLFZYLTUECN-JKSUJKDBSA-N 269.473 4.673 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(OC)ccc1Cl 2283351516 HUNUHCPVJJBWOM-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE CCN[C@@H]1CC[C@H](C)CC[C@@H]1CC=CC#CC(C)(C)C 2284087265 BKXZSMXZBZQVEF-FGTMMUONSA-N 275.480 4.787 30 10 CJEE C=CCCCSC[C@](C#N)(NC(C)C)C1CCCCC1 2287091064 UPJBSBRVDZUIJK-KRWDZBQOSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)CCC[C@@H](OC)C1 2287384982 MEUOJGRSIWTKDU-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](O)(CCC)C(C)(C)C 2287389020 YZXFDMCYELVAHS-WMZOPIPTSA-N 283.500 4.678 30 10 CJEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)[C@H](CC)CCC 2287643382 ITCKHSYBSNBETE-AEFFLSMTSA-N 291.866 4.886 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(CC)cnn1 2288675231 AHFGMDIQCDESJM-INIZCTEOSA-N 277.456 4.570 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1oc2ccccc2c1CC 2288682983 MIJLVBNHLJAPID-KGLIPLIRSA-N 271.404 4.858 30 10 CJEE CC(C)[C@@H]1CSC(=Nc2cccc(C3CCCC3)c2)N1 2289268622 PCBYDJHXIOYVLI-INIZCTEOSA-N 288.460 4.693 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(CC2CCC2)CC1 2289702824 FFHPPJKLCXMBJR-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1F 2289709173 ASBSMPVOZYUDPF-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1ccccc1C(C)C 2289792310 WPNFXTRZUADORG-LJQANCHMSA-N 269.432 4.654 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CC12CCCC2 2289860727 XZWRQZFSQNGGBG-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CCC12CCC2 2289876189 VCILFUDBTIPWQM-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CNCC1(CC#CC2CCCC2)CCC(C(C)C)CC1 2289923918 FHLSTLZRQXZTDC-UHFFFAOYSA-N 275.480 4.622 30 10 CJEE CN(CC1CC(CC(C)(C)C)C1)C[C@@H](C#N)C(C)(C)C 2290067762 CKTZFTHNYSMLBH-UYSNPLJNSA-N 278.484 4.566 30 10 CJEE C=CCCCCCC[C@@](C)(CCCCC)OCC(=O)O 2291307782 MJNIHURBYXYAIK-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@@](C)(CC(C)(C)C)OCCC(=O)O 2292730071 YNNXWZVAIUJBNQ-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1CC 2292789928 AQNUVBBVMAYKMF-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCC1(OCCN)CCC(C(C)C)CC1 2292886780 ZMNJUEIUNOXGEE-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@](CC)(CC1CCCCC1)OCCCN 2293065924 WJHJJHSHBYHURS-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@](C)(OCCN)[C@H]1CCCC(C)(C)C1 2293291413 HBGYMEXMEQIVBB-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC12COCC(C1)C2 2295587976 LNQISUYZGAGZLP-LXPRWKDFSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1nc(C)cs1 2295596297 JKZCJLMNGKQHNF-MRXNPFEDSA-N 297.464 4.526 30 10 CJEE CCCC[C@@H](CC)CSCCOc1cccc(C#N)c1 2295697368 REYBKPCIXLJQRD-OAHLLOKOSA-N 291.460 4.887 30 10 CJEE Cc1cc(OCC2CC(CC(C)(C)C)C2)ccc1C#N 2296404587 WHGBGOWAIJCTEH-UHFFFAOYSA-N 271.404 4.708 30 10 CJEE C=CC[C@@H](C)Sc1nc(C(C)C)nc(Cl)c1C 2298885155 JHHINMSJOJXUPR-SECBINFHSA-N 270.829 4.619 30 10 CJEE C=CCC(CC=C)NCc1c(Cl)cccc1Cl 2298900510 IJKWLQRPIKVCOG-UHFFFAOYSA-N 270.203 4.604 30 10 CJEE C=CCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1C 2301039502 MNCYJQWZEZNLOF-GFCCVEGCSA-N 273.203 4.562 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@](C)(CC)CC[C@H]1NCC 2313524603 NBAZKRBWHVXBLU-ZJIFWQFVSA-N 269.498 4.631 30 10 CJEE CCCCCCCCN(C)C[C@](C)(CC)C(F)F 2315117753 VOTFNNSKDLYJME-HNNXBMFYSA-N 263.416 4.960 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Cl)cc1 2316739510 SGGLOITXLQERDQ-MRXNPFEDSA-N 263.812 4.759 30 10 CJEE NCCCCCCC#Cc1cc(Cl)c(C(F)F)s1 2321789253 VKARAXFHFRCJOF-UHFFFAOYSA-N 291.794 4.600 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)c(SC)c1 2328526125 QZIJKWBYYPXGLC-GFCCVEGCSA-N 262.422 4.661 30 10 CJEE C=CCCCCCC[S@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2335340412 SVXJEQWBOGAIEX-BXWFABGCSA-N 285.497 4.996 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl 2337080007 BHPUCWXFWBAONA-BFQNTYOBSA-N 281.802 4.875 30 10 CJEE CC(=CCOC1(C=O)CCCCC1)CCCC(C)C 2338505186 CLZFTRKXJSAPFN-UHFFFAOYSA-N 266.425 4.677 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1 2338748657 ZQDKKQBFUGMZCG-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC12CC2 2339027489 YIMFEQLHZWEBIZ-OVWQWFNUSA-N 260.421 4.742 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(F)cc1C1CC1 2339142840 DEZFLUZFYXESSM-QGZVFWFLSA-N 260.352 4.505 30 10 CJEE CCCCC#CC[C@@H](CCCCC1CC1)NCCC 2341418508 REKNMKOUKGTLIM-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CCC(CC=C)[C@H](CCC[C@H]1C[C@@H]1C)NCCC 2341486499 DUPHUNPSVJMMDB-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE CC(F)(F)CC[C@H](N)CCCCC(F)(F)C(F)(F)F 2342286840 YSXRPMQNFBHDLP-MRVPVSSYSA-N 297.258 4.507 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC(F)(F)C1)NCCC 2344338000 WBGGWPMZHZJEAC-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(=C2CC2)C1)NCCC 2344347722 DPCZGIXGCMBCDE-KRWDZBQOSA-N 261.453 4.847 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCC2(CCCC2)C1 2344348926 OTESVZBGXNOHJP-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(C)c2ccccc12 2344394263 BDIZRTPIBPFCHW-KDOFPFPSSA-N 253.389 4.621 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cccc(F)c1C 2344396318 MZIGDTCRGKVEHR-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC1CCC(C(F)(F)F)CC1 2344475281 GNQHQZQKSXINKH-BPCQOVAHSA-N 278.358 4.708 30 10 CJEE CC(C)(C)[C@@](C)(CS)Cn1ccnc1-c1cccs1 2352105747 ZNBPMTCDEGVZKZ-OAHLLOKOSA-N 294.489 4.594 30 10 CJEE C[C@@H]1c2ccsc2CCN1C[C@](C)(CS)C(C)(C)C 2352290776 QJMOXHGPZJGSFM-MLGOLLRUSA-N 297.533 4.649 30 10 CJEE CSc1cc(OCC2(C)CCCCC2)ccc1C#N 2353832392 QSDOAGWARPCQOP-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1cc(C#N)ccc1Cl)C2 2354149753 BHEHKMCUUHRCOG-KEYYUXOJSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]1CN 2354273376 BVUULFSXKCXJDF-KZNAEPCWSA-N 283.500 4.643 30 10 CJEE CCCCCC#CC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137703 WEAATTRZVLFNEH-CADBVGFASA-N 275.480 4.894 30 10 CJEE CC(C)(C)CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 36930413 NIMXQSQMYIZFII-VIFPVBQESA-N 284.186 4.606 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1ccc(Cl)c(C#N)c1 36973228 PTZBYRQIWLZRDU-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)ccc1F 59277398 KGZZQWRJHLIVKQ-OAHLLOKOSA-N 255.352 4.586 30 10 CJEE CCCCCCCNc1cccc(NC(=O)CC)c1C 59462186 RYZLWGPEAVUFHW-UHFFFAOYSA-N 276.424 4.726 30 10 CJEE C[C@H]1CCC[C@@H](CCNc2cccc(Cl)c2C#N)C1 70539800 JAMYWFRDJNJUCB-STQMWFEESA-N 276.811 4.840 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)cs2)CC1 93097259 SFBVHAOMJGWVRE-AWAWDMARSA-N 283.824 4.545 30 10 CJEE CC[C@H](CS)CN(C1CCCCC1)C1CCCCC1 94578422 DKQILIGDJSDOGZ-HNNXBMFYSA-N 283.525 4.910 30 10 CJEE Cc1cccc(OCC2(CS)CCCCCC2)c1 94582920 GUPQBFMAJQURNJ-UHFFFAOYSA-N 264.434 4.644 30 10 CJEE C[C@@H]1CCCC[C@@H]1OCC1(CS)CCCCCC1 94583653 RRXJAKKMIFNIFO-CABCVRRESA-N 270.482 4.852 30 10 CJEE Cc1cc(C(C)(C)C)cc2c(C3CC3)c(C#N)oc12 110162433 KEKMUQNBSDVBNE-UHFFFAOYSA-N 253.345 4.788 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCCCC1 110258167 YBOPSKNXBVLVQK-NSHDSACASA-N 296.336 4.958 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1c(F)cccc1Cl)C(C)(C)C 111650394 LFCWEWNPIAZQAS-WDEREUQCSA-N 295.785 4.728 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(N(C)C)CCCC1 118174316 FFYUTFFSAGAIAX-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCC(=O)NCC(C)(C)C#N 122396581 XBUHAQLIYYUXHV-UHFFFAOYSA-N 280.456 4.573 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C#N)cc1C(F)(F)F 122406886 HMIMAKXBEQBFPP-GXTWGEPZSA-N 297.320 4.925 30 10 CJEE CCCCCCCCCCCCOCC[C@@H]1CCNC1 122411388 QISLTSPOWHILQP-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cccc(C#N)c1 124777021 GLTZCYWPXYKTCW-SFHVURJKSA-N 273.420 4.906 30 10 CJEE CCCCCCCCCCN[C@H]1COc2cc(O)ccc21 129237328 HTBJUMNWVABJML-KRWDZBQOSA-N 291.435 4.556 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1ccc(O)cc1O 129281348 MBKGTHPREWFJQQ-HNNXBMFYSA-N 293.451 4.889 30 10 CJEE COc1ccccc1NC1(C#N)CCC2(CCCC2)CC1 129611629 PTKRSJVFGFDILY-UHFFFAOYSA-N 284.403 4.504 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ncccc1CC 130459406 NOBWEDUPTTZZQR-QGZVFWFLSA-N 291.483 4.679 30 10 CJEE CCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 131338248 GLOSXMFVCUDQIR-KGLIPLIRSA-N 274.495 4.543 30 10 CJEE CCCCCCCC(=O)CC(=O)c1cc(C)cc(C)c1 133231743 OBXKHMYMZLGQBW-UHFFFAOYSA-N 274.404 4.806 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CCCCO1 134439735 ONQLAHQZPPUEJN-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1Cc2ccccc2S1 139680708 KJITWMJTOWVRET-DOTOQJQBSA-N 277.477 4.652 30 10 CJEE CCCCCCCCCCC[C@@H](O)C1=CCCO1 160922564 GQHVDGHVNFKABV-OAHLLOKOSA-N 254.414 4.572 30 10 CJEE CCCc1ccccc1NCc1ccc(C#N)cc1Cl 162668197 GIEXJQHKUXQDMP-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE CCCCCCCCCCCCC(=O)C1CCNCC1 166506306 WWICUZYQNWMYNO-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE CCc1cccc(CC)c1Nc1ccc(C#N)cc1C 203461776 XQZDZUCUTVIGRE-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE CCCCC[C@H](C#N)N(Cc1ccccc1)[Si](C)(C)C 207528445 FPLYEBDIUBYHLG-QGZVFWFLSA-N 288.511 4.796 30 10 CJEE CCCCCCCCC[C@@H](COC(C)C)NCCC 228674347 IUJKREZHDNWBOA-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCn1cncc1[C@H](N)C(C)C 230366391 HYAANCIUMXWQNW-QGZVFWFLSA-N 279.472 4.680 30 10 CJEE CCCCCCCCCC[C@@H](O)CCOCC(F)F 232083081 FDDVJSFMVJZCBB-CQSZACIVSA-N 280.399 4.550 30 10 CJEE CC(C)[C@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 232743898 YTYMHQRZOCIYKW-JTQLQIEISA-N 297.836 4.539 30 10 CJEE CCCCCCCCC[C@H](N)c1noc(C(C)(C)C)n1 232990847 NBDDMYVPGRWEBU-ZDUSSCGKSA-N 281.444 4.508 30 10 CJEE C=CCCCCCOc1ccc2ccc(O)cc2c1 236608009 LPAZFZIEGUDJGV-UHFFFAOYSA-N 256.345 4.671 30 10 CJEE N#CC[C@@H](c1ccc2sc(C3CC3)nc2c1)C1CC1 260587871 OWMYIMTUTGJPTF-CYBMUJFWSA-N 268.385 4.581 30 10 CJEE C=C(CNc1ccc(Cl)cc1C)c1ccccc1 306042805 ZCYISXUCMDVHFF-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCc1ccc(Cl)cc1 308635204 CEVKTUJRUHPSSB-XJKSGUPXSA-N 261.796 4.993 30 10 CJEE CCc1ccc(Nc2cccc(Cl)c2C#N)cc1C 311431530 QAZLLIQDEMOWCP-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CC1CCC(C#N)(Cc2ccccc2C(F)(F)F)CC1 312706046 CKXQIMOBJGZOFI-UHFFFAOYSA-N 281.321 4.968 30 10 CJEE Cc1cccc(CC2(C=O)CCC(C(C)(C)C)CC2)c1 316824578 KUXKRSDVYKZXJR-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE C=CCCCCCCNCc1cccc(C(F)(F)F)c1 380400479 QJJAWOCPUCWFJC-UHFFFAOYSA-N 285.353 4.932 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc(F)ccc1Cl 381235628 JHSMAQPFKPCIKT-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CCCCCCC[C@H]1[C@@H](C2CCC2)C(=O)N1[Si](C)(C)C 385381303 ZEIBNSPLEZRFMP-JKSUJKDBSA-N 295.543 4.809 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc2sccc2c1 386426544 MJRPNXORJZAGSB-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1ccccc1Cl 394014052 DDJPQQGPJIOIIP-GFCCVEGCSA-N 277.795 4.589 30 10 CJEE CC(C)(C)CC[C@](C)(O)C1(C#N)CCC(C)(C)CC1 394064883 XBTOEXKSOWVYPV-INIZCTEOSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCCN1CC[C@H](O)CC(C)(C)C1 395387896 VDMNTKNYTXGLNW-KRWDZBQOSA-N 283.500 4.610 30 10 CJEE CCCCN(CCCC)C[C@H](C#N)C1CCCCC1 397342330 MVTDCRXCIGIEGC-KRWDZBQOSA-N 264.457 4.609 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2ccc(F)c(F)c21 398292622 ZSSBVGQWFMLBSG-VIFPVBQESA-N 282.359 4.521 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H](CC)CC(F)(F)F 402657550 VOOKTZKFQPOXPG-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](C)OCc1ccccc1 404202094 QHAHCQINPZJPLM-SJLPKXTDSA-N 278.436 4.703 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc(C)ccc1F 410375276 PLVIYJXAHLZIJW-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CC)Cc1ccc2ccccc2c1 464646838 ZWWYQLCDLFWIMC-INIZCTEOSA-N 295.426 4.791 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc2oc(C)c(C)c2c1 477922140 ZFUSGTFAWJLYGY-NSHDSACASA-N 271.360 4.590 30 10 CJEE C=C(C)CSCc1nc(-c2ccsc2)oc1C 530634469 WQEXJXMLXITDKJ-UHFFFAOYSA-N 265.403 4.521 30 10 CJEE CCCCCCCCCC[C@]1(CN)C[C@H](C)O[C@@H]1C 686459718 LUNRNKGDHXUXQF-GVDBMIGSSA-N 269.473 4.660 30 10 CJEE 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CCCCCCCCCCCO[C@@H]1CCNC[C@H]1C 2231085198 RAJMNVQNPWGGFA-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C[C@H](CCCCC)OCc1ccc(C)c(C#N)c1 2231096667 RMHJNXDYUXCFNN-QGZVFWFLSA-N 257.377 4.518 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1OCC[C@H]1C 2231926106 QXOLLHXCUGRXOJ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCOCC[C@H]1C 2231936147 ZSUVJNGXJSOZHN-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccccc1C(C)C 2233793203 XGPNVDUNERKGOT-GOSISDBHSA-N 271.448 4.900 30 10 CJEE CCN[C@H](C#CC(C)(C)C)C1CC(C)(C)CC(C)(C)C1 2233798403 KKTDBXPFWUYDLE-MRXNPFEDSA-N 277.496 4.867 30 10 CJEE C=CCCCCCCCOc1cc([N+](=O)[O-])ccc1F 2235522124 QKRGZOQJXPQBOJ-UHFFFAOYSA-N 281.327 4.639 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(CC)N(CC)CC 2235523660 IAXUFPZNVUJXKU-SFHVURJKSA-N 281.484 4.983 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@H](C)[C@@H](C)C1 2235541311 GZMIZRCJPBFCGJ-BQFCYCMXSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ccnc(F)c1 2237264314 XLRLVIUWAAXUID-MRXNPFEDSA-N 279.399 4.951 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)F 2239209505 XGEYRZBAYZMIMF-DLTWYDFYSA-N 285.422 4.782 30 10 CJEE CCCCCCCCCOCCCc1ccc(N)cc1 2239453149 OQVKQFRGGQZYNZ-UHFFFAOYSA-N 277.452 4.969 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NCC)c1ccc(C)s1 2239505098 VVHAMCVLAPXHQY-CVEARBPZSA-N 295.492 4.859 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(N)cc1C(F)(F)F 2239514380 YZQQGWBLUPYKLF-GFCCVEGCSA-N 287.325 4.801 30 10 CJEE C[C@@H]1CC[C@](C)([C@@H](O)C#Cc2cccc(Cl)c2)C1(C)C 2239561390 CWWVBQIHCQKNLY-RPVQJOFSSA-N 290.834 4.515 30 10 CJEE CCCc1ccc(C#CC(=O)[C@H](C)CC(C)(C)C)cc1 2239735436 PFKVWSGMKVJEAH-OAHLLOKOSA-N 270.416 4.632 30 10 CJEE C=CC[C@@H](CNC1CCC1)Cc1cccc(C(F)F)c1 2240198535 OCEZMQGJYCNSQZ-CQSZACIVSA-N 279.374 4.501 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)c1cc(OC)ns1 2240642359 LOAKNCHIYIBBLU-ZIAGYGMSSA-N 298.496 4.941 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)Cc1ccccn1 2240644750 MWXWWEUILMRCNP-IAGOWNOFSA-N 276.468 4.741 30 10 CJEE C#CCCCCCC(=O)[C@@](C)(O)CCCCCCCC 2240666142 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C=CCCCCCC[C@@]1(OCCCN)CCC(C)(C)C1 2294003453 LRZIFKUGZQZQAI-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC=CCC1)OCCN 2294063909 WXZWRNAEUDODME-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CC[C@]1(OCCN)CCCC2(CCCCC2)C1 2294082526 CGDYTGGRMDOCPT-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1c(F)cncc1F 2295599314 QQMAVJMYCMUSEN-MRXNPFEDSA-N 284.394 4.674 30 10 CJEE CCCC[C@@H](CC)C[S@@](=N)(=O)CC=CC#CC(C)(C)C 2295699017 GWOPUIGNCMQLBS-UZLBHIALSA-N 297.508 4.855 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)sc1CNCCC 2298933177 OXTJFBICYDJYBI-JTQLQIEISA-N 289.897 4.958 30 10 CJEE C=CCC(C)(C)C(=O)c1c(Cl)cc(F)cc1Cl 2304055940 OMKJDUXJHSVGEY-UHFFFAOYSA-N 275.150 4.918 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(F)ccc1Cl 2316749319 JHIPPKGITDXHQF-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE C[C@H](CCS)CCOC[C@@H]1C[C@H]2CCC[C@H]1CC2 2316869832 LEPHPRVFHJODEH-VGWMRTNUSA-N 270.482 4.566 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318360035 XYQZOAAYVZCFEE-OTYXRUKQSA-N 290.209 4.995 30 10 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263.469 4.951 30 10 CJEE N#Cc1cccc(F)c1NCc1cc(Cl)cc(Cl)c1 2341174271 SSITYTQBLDKYSE-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc2c(c1)CCC2(C)C 2341931591 QZEATKIIPSMXTH-KRWDZBQOSA-N 257.421 4.527 30 10 CJEE CC1=C(C)C[C@H](CNc2ccc(C#N)cc2Cl)CC1 2343451681 PRTJKCZEKDHZFF-CQSZACIVSA-N 274.795 4.760 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)[C@@H]1CCC2(CCCC2)C1 2344356712 NXTGLZANMHZSLU-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCCCC1(C)C 2352082284 ORKAUVNAFIUYDA-WMLDXEAASA-N 285.541 4.869 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1CC(C(C)(C)C)C1 2352082506 GLXYCGMAQLREJQ-KVULBXGLSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@@](C)(SC[C@H]1CC1(C)C)C(=O)O 2352188565 DCWQGGUWRODKKT-CZUORRHYSA-N 286.481 4.970 30 10 CJEE CCC1(CC)CCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352320300 XKQLGQLRSGENMJ-INIZCTEOSA-N 285.541 4.871 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352755754 CXKXQSDDAJTZCI-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccc(CC#N)cc1)C2 2354155138 IDDVWVOHODEZGA-NXHRZFHOSA-N 268.404 4.523 30 10 CJEE C=CCC(CC=C)SC[C@@](C#N)(C[C@H](C)CC)NCC 2360208817 UMWVSTNOVRTURH-WBVHZDCISA-N 294.508 4.548 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCCCc2ccccc21 37936103 FSVWWISXJBDYRL-SFHVURJKSA-N 296.801 4.897 30 10 CJEE CC(C)[C@H](Nc1ccc(C#N)cc1F)c1cccs1 49558355 VAOHAFGSOITMQA-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE Cc1ccc(C#N)c(NCc2cccc3ccccc23)c1 52062366 HHRKCSVVSVZEAV-UHFFFAOYSA-N 272.351 4.632 30 10 CJEE CCc1ccccc1[C@@H](C#N)Nc1ccc(Cl)cc1 52204013 PFAYRVOMLQDTBA-MRXNPFEDSA-N 270.763 4.579 30 10 CJEE CCCc1ccccc1/N=C1/NC2(CCCCC2)CS1 53098145 BNPNSYYCNMHWBJ-UHFFFAOYSA-N 288.460 4.666 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)c(O)c1 59474410 YITDLADPARGQEL-ZDUSSCGKSA-N 265.397 4.562 30 10 CJEE CCC(C)(C)c1ccc(Oc2ccc(N)cc2C#N)cc1 70143122 VLKYXTKZGZNYAK-UHFFFAOYSA-N 280.371 4.620 30 10 CJEE COc1ccc(Cl)cc1-c1cc(CC#N)c(C(C)C)o1 77079853 MUZYZCCZVLETMI-UHFFFAOYSA-N 289.762 4.798 30 10 CJEE CC(C)c1cc(C#N)c2c(Cl)cc(Cl)cc2n1 82468061 BNSIDKZBWJGBIT-UHFFFAOYSA-N 265.143 4.537 30 10 CJEE CCCCOc1ccc(-c2ccc(CS)c(C)n2)cc1 82481872 GZQJGDHNQHVBEB-UHFFFAOYSA-N 287.428 4.666 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 83204667 MTJKPSCWTSGQAK-MDWZMJQESA-N 280.367 4.680 30 10 CJEE CC(C)CCC[C@H](C)Nc1nc2ccccc2cc1C#N 83686318 IHFAIZXQLCXJIA-AWEZNQCLSA-N 281.403 4.733 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCC(C)(C)CC1 86914219 PULUDCLUZOBMNW-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCC[C@H](CS)COc1cc(C)ccc1C(C)C 94582744 WZNKWZBDURZLBY-AWEZNQCLSA-N 266.450 4.843 30 10 CJEE C[C@@H](CCS)CCOc1ccc(Cl)c2cccnc12 94583147 GSAVDDKXEDJNHJ-LLVKDONJSA-N 295.835 4.613 30 10 CJEE CCCCCCCn1c([C@@H](C)N)nc2cc(C)c(C)cc21 104068074 BFRSDUWEGBYJFG-OAHLLOKOSA-N 287.451 4.643 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(C(F)(F)F)cc1OC 107476536 SBMXFTGZIVKIGF-NEPJUHHUSA-N 284.321 4.867 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)ccc1C 109740081 XZVGOWZEGKVXOV-INIZCTEOSA-N 251.389 4.885 30 10 CJEE Cc1ccc(Sc2ccc(C#N)c(Cl)c2)cc1 110353983 IPKWZYKMAPFCCB-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(Cl)c1 111141938 YBERVXXHGBEWKL-SECBINFHSA-N 292.716 4.663 30 10 CJEE C[C@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1)C(C)(C)C 111650391 FYLJAOOMZQZGLO-BXUZGUMPSA-N 277.795 4.589 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc2ccccc2n1 115858651 YITWOGNYOZIDBW-QGZVFWFLSA-N 284.447 4.855 30 10 CJEE C#CCCC[C@H](NCCC)c1cccc(Cl)c1Cl 122867730 HVBOXVFRTZWLGC-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE CCCCCCCOc1cc(C)c(F)cc1C(C)=O 123282469 UPKPSYXEIHZISO-UHFFFAOYSA-N 266.356 4.686 30 10 CJEE CCCCCCCCCCCCC1(O)CC(C(=O)O)C1 125025872 DJTXDQPFGVESNF-UHFFFAOYSA-N 284.440 4.523 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccn(C(C)C)n1 125097871 ZGOJWOIBXPVVEF-KRWDZBQOSA-N 280.456 4.508 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CSCCS1 125129331 JLYSXGDZBLEPJU-CQSZACIVSA-N 274.495 4.545 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc2ccccc2s1 125741755 CBHCGNJFPRNSKR-AWEZNQCLSA-N 259.418 4.908 30 10 CJEE CCSc1cccc(N[C@H]2CCC[C@@H](C)C2)c1C#N 126996477 IVKFLSTVSGCAPD-OLZOCXBDSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H](C)OC 129147912 URMSVSSOYLGJOW-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(C(F)F)cc2)CC1 131715174 DRNUXQUFIWSNGP-VXKCQOAXSA-N 293.357 4.768 30 10 CJEE C=CCCC[C@@H]1C[C@H](C)CC[C@H]1CNCC(C)C 156006657 GGQBSRFRYOIKEF-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](NCC)C1(OCC)CCCC1 159875206 ADTLGEJTTOKYPJ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C(F)(F)F)ccc1F 164695567 ODFCPLVJNSVOMM-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE C=C(C)CC[C@H]1CCCCC[C@@H]1CNCC(C)C 164930450 VIRVTKZGKOMGNM-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE C=CCCC[C@H](NCC)c1ccccc1C(F)(F)F 167684203 HTJPUBULOVTEIB-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=CCCC[C@H](NCCC)c1ccccc1OC(F)F 167748105 WOXHXBKGGWEFSN-AWEZNQCLSA-N 283.362 4.685 30 10 CJEE SC/C=C\COc1ccc(-c2ccccc2)cc1Cl 211621107 ZMSXQRGXQDFROK-PLNGDYQASA-N 290.815 4.872 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc(Cl)c(F)c1 215050296 UEPVEZYRBKDRGW-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@@H](CN)C1 228987076 CFEIUACOUXEUCQ-OALUTQOASA-N 296.543 4.824 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(F)cc2Cl)CC1 232909415 PDUXJDCKCQYIOT-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE CCCC[C@H](CC)CNCc1ccc(C#N)cc1Cl 232992808 ZMCPUEFJTKLZQO-ZDUSSCGKSA-N 278.827 4.518 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)sc1Cl 233165409 ALSJTLBVZDKABL-SECBINFHSA-N 264.221 4.672 30 10 CJEE C=CCCCCC[C@@H](O)c1c(F)cccc1Cl 236549339 FIXFKXKFZLFMIF-CYBMUJFWSA-N 256.748 4.649 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)C[C@H]1O[C@@H]1C 250961081 QPNIGMCURMUOSJ-JXXFODFXSA-N 296.410 4.855 30 10 CJEE CC(C)Sc1ccc(CCCC#N)cc1Br 260259526 AIQTXXOKAGINJG-UHFFFAOYSA-N 298.249 4.796 30 10 CJEE N#C[C@H](c1c(F)cccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 302334829 ILRFSGLVWKZTHC-YFKTTZPYSA-N 263.743 4.522 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1=COCC1 311937118 HGOXXOCFNKEETI-KRWDZBQOSA-N 267.457 4.800 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCCCC2CCOCC2)C1 317342468 RRIZTRZSCRRFOT-FUHWJXTLSA-N 280.452 4.759 30 10 CJEE CC(C)(C)C#CCC1(CNC2CC2)CCCCCCC1 318463712 WWTWTPGDAAURDN-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C[C@@H]1CC=C(C(=O)CC/C=C/c2ccccc2)CC1 323809476 NMIMHQQMPAXMKK-FUVBFXSKSA-N 254.373 4.796 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)SC 327510019 QPKXLCSLYRLTET-CQSZACIVSA-N 259.503 4.857 30 10 CJEE C=CCCCN[C@@H](C)c1cc2sccc2s1 381761849 UCRLRDXMZZOAJR-JTQLQIEISA-N 251.420 4.580 30 10 CJEE N#C[C@@]1([C@@H]2C=CCCCCC2)CCCc2ccccc21 381864040 YDNVMHUOYCGIJK-IEBWSBKVSA-N 265.400 4.921 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 385154979 KTCULZAJQQBQGC-VIFPVBQESA-N 290.209 4.995 30 10 CJEE CCC(CC)(CS)CN1CC[C@H](C)c2ccccc21 388180305 XLMSSBBVXGCJAS-AWEZNQCLSA-N 277.477 4.736 30 10 CJEE CCCCCCCCCNc1ccc2c(c1)CCO2 395017707 YYCXAABKIIHTFJ-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@]1(C#N)CCCC[C@H]1C 395061139 ZGQKAHOFOKDMQR-ZKXLYKBJSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCSC1=N[C@@H]2CCCC[C@@H]2N1 395629704 OOBFIXYIBYZJKR-GASCZTMLSA-N 282.497 4.741 30 10 CJEE CCCCCCCOC[C@@H]1CCC[C@H](NCCC)C1 403793121 JAVWHWQADDSXDE-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C)c(C)c1 410352303 OGZOUYROQVRUEM-UHFFFAOYSA-N 279.383 4.674 30 10 CJEE CCCC1([C@@H](C#N)Nc2cccc(Cl)c2)CCC1 686134726 WANLBPXTILPRPY-CQSZACIVSA-N 262.784 4.614 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC2CC2)c1F 688562013 OINNQOYARXZWKX-HNNXBMFYSA-N 279.399 4.727 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1Cl 691051631 DBTPWZQRQHVZSX-UKRRQHHQSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)F)cc1 692234414 JMGRRVCVDDNGIS-ZBFHGGJFSA-N 279.374 4.849 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](C)Oc1ccccc1 700665723 PIEHURAESSISIQ-FUHWJXTLSA-N 277.452 4.793 30 10 CJEE CC1(C)C[C@@]1(C#N)Cc1ccc(Br)cc1Cl 702201239 QPXDGHHQMPGSBK-CYBMUJFWSA-N 298.611 4.585 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(CCCC)cc1)C(C)(C)C 702247536 SGGJIMVFRMRERZ-CRAIPNDOSA-N 271.448 4.728 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(OC(F)F)cc1 704951022 KCNIGRUQBRAPMP-BYCMXARLSA-N 279.330 4.721 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCC 710644339 JGNKLZBQRUKMHW-CFVMTHIKSA-N 271.876 4.960 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 714442251 YRKPYHFLTGJEGS-BZUAXINKSA-N 260.421 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(Br)c1 715724655 KIELJDPXWCZDKU-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NC 717037643 DFAILNGGABPWQF-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cscc1C(F)F 717190408 KLYHLORRRZJGPP-CYBMUJFWSA-N 285.403 4.776 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCCC2)C2CC2)c(Cl)c1 723843288 IYMKIMQDLZMNMV-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CC[C@H]1OC 724210133 OFBKYHGGXBPDJO-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(C)cc(Cl)c2)CC1 724548763 FZVOZSRISSJZNF-MRXNPFEDSA-N 263.812 4.785 30 10 CJEE C=C1CCC(C[C@H](CS[C@@H](C)CC)NCC)CC1 724550008 NEZYNXCGVLCWSC-GOEBONIOSA-N 269.498 4.633 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CC)c1cccc(Cl)c1 1124911808 DJWMAIKGKQKVSQ-SWLSCSKDSA-N 279.811 4.510 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccc(C2CCCCC2)cc1 1128425123 CXVSFKHFETUGEA-GOSISDBHSA-N 285.431 4.819 30 10 CJEE C#CCN(CCC(C)(C)CC)[C@H]1CCCc2ccccc21 1176452979 OIPGMCDLEAWAKM-IBGZPJMESA-N 283.459 4.826 30 10 CJEE C=C(C)CCSc1ncc(-c2ccc(Cl)cc2)[nH]1 1190250382 MMUQRDPSUZDDKS-UHFFFAOYSA-N 278.808 4.788 30 10 CJEE C=CCN(C(=O)N[C@H](CCCCC)C(C)(C)C)C(C)C 1227623388 WLJABYUXCGEUAU-OAHLLOKOSA-N 282.472 4.587 30 10 CJEE C=CCC1(C(=O)N[C@@H](CC)Cc2ccccc2)CCCCC1 1264922694 ZDGFXMJPDVPVNJ-SFHVURJKSA-N 299.458 4.651 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCCC2(CCCCC2)CC1 1269276509 ZWNUKNLSGFCUSU-KRWDZBQOSA-N 277.452 4.552 30 10 CJEE C=CCCCCCCNC(=O)CC1CC(c2ccccc2)C1 1271935656 PUPXNGQGQILSDO-UHFFFAOYSA-N 299.458 4.823 30 10 CJEE CCCCCCCCCN1CC[C@H](c2nccs2)C1 1308035019 PSIIEECEQUMVQI-HNNXBMFYSA-N 280.481 4.683 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(Cl)cc1C(C)C 1311015532 GDMWZXMJJRTORP-CYBMUJFWSA-N 294.826 4.940 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1ccc(CCCC)cc1 1355447498 HZEAUNDWTMIOEE-UHFFFAOYSA-N 273.420 4.594 30 10 CJEE C#CCCCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C 1355934261 PFQNWMXPZRWLMG-HXUWFJFHSA-N 299.458 4.502 30 10 CJEE C=C[C@H]1CCCCN1C(=O)[C@@H](CC)CC1CCCCC1 1436095103 JZNSZRLEDITKHI-IRXDYDNUSA-N 277.452 4.550 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)CCCC1 1459276795 LRJFAVGOMDCIRB-IAGOWNOFSA-N 291.479 4.844 30 10 CJEE CCCCCCCCCN(C)Cc1cc(C)ns1 1459345763 CQUSWGHKOSEJHU-UHFFFAOYSA-N 268.470 4.634 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCc2ccc3ccccc3c2)C1 1461162879 XZLLLZFRFQDVCY-UZLBHIALSA-N 279.427 4.717 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C)c(SC)c1 1466990893 CLGJCFOCIJUPKH-UHFFFAOYSA-N 292.448 4.583 30 10 CJEE C=CCCC[C@@H](NCc1ccc(O)c(F)c1)c1ccccc1 1474686352 TUFHDSMHIPLINQ-GOSISDBHSA-N 299.389 4.719 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1 1526453124 SJTYDGAKKLFROZ-ZWKOTPCHSA-N 297.442 4.781 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(CCCCCC)Cc1ccco1 1539740681 FRGCQZGYLBYEHI-SFHVURJKSA-N 291.435 4.791 30 10 CJEE C=CC[C@H]1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)C1 1540090192 SMWLBOXPZZUIEY-FZMUQLTDSA-N 297.442 4.638 30 10 CJEE C=CCCCN1CCC[C@]1(CC)CCc1ccccc1 1560106956 UWQHOFCWUKTFSI-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(C)CCC(C)(C)CC2)C1 1560506518 GOHWLVDMMQTFSY-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C#C[C@H](NCC(C(C)C)C(C)C)c1ccc(Cl)cc1F 1560825415 LXZOMIYORWLPDB-KRWDZBQOSA-N 295.829 4.671 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(C(C)(C)C)s1 1560998725 FOFITCRVYQCJHT-CYBMUJFWSA-N 265.466 4.880 30 10 CJEE C=C1CCN(C(=O)Nc2cccc(C3CCCCC3)c2)CC1 1563105434 SOVAAJCKWGRYLQ-UHFFFAOYSA-N 298.430 4.918 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](C)[C@H](C)CCCC)cc21 1621546001 NYMGPPJTSDSWIJ-CABCVRRESA-N 285.435 4.849 30 10 CJEE C=CCC1(C(=O)N2CCC(CC)(CC)CC2)CCCC1 1625580478 FUNQVSPWXGIWQN-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE COc1ccc([C@@H](C)SCC2(C#N)CCCC2)cc1 1640879781 ALVBEZZTPDZXJS-CYBMUJFWSA-N 275.417 4.573 30 10 CJEE C=C(C)CCNc1nc2cc(Cl)cc(Cl)c2o1 1642709795 MHNRDRRMZGQCGR-UHFFFAOYSA-N 271.147 4.513 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@H]1CCC2(CCCCC2)O1 1652196126 CEQPLVZDCVQZJL-QZTJIDSGSA-N 293.495 4.983 30 10 CJEE C=CCOc1ccc(CN[C@H](C)CCC2CCCC2)cc1 1652443127 ATTFQBBXMCQEKU-MRXNPFEDSA-N 287.447 4.700 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(F)cc2F)c1 1656793018 JGSQYCYNIVKDCN-UHFFFAOYSA-N 289.325 4.532 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C2CC2)C1 1658330507 OOFYFUZVMPYJNO-VAMGGRTRSA-N 283.459 4.732 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1C[C@@H]1c1ccccc1 1658330709 QWWCMUCZKRYTKO-NJDAHSKKSA-N 291.438 4.567 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCCC(C)(C)C3)cc21 1658997925 MBUZVKLPNDHCHC-INIZCTEOSA-N 283.419 4.603 30 10 CJEE C=CCCC1(CN[C@@H](C)CSCCC)CCCC1 1659649104 CRIQWWSJVWOQCY-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=CC[C@@H]1CCN(C/C=C\c2c(C)cc(C)cc2C)C1 1659734104 QQTNPDOXQDTGFD-XOWYPZSQSA-N 269.432 4.523 30 10 CJEE C=CCCCN(CC)CC1CCC(C(F)(F)F)CC1 1660513635 XMRKXSRPCMCTMJ-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(-c2ccon2)cc1 1660762674 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CJEE CCCCCCCCC[C@H](NN)[C@@H]1CC(C)(C)[C@@H]1C 2340588511 BYLDFLZZPHDCES-OAGGEKHMSA-N 268.489 4.641 30 10 CJEE N#Cc1ccc(OCC2CCCCCCC2)c(Cl)c1 2342892991 KMXJDJNPUAFTSF-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE CC1=C(C)C[C@@H](C[C@@](C)(C#N)c2ccccc2)CC1 2343383276 DRIFNANEOPVELQ-WMZOPIPTSA-N 253.389 4.994 30 10 CJEE C=C(CC)C[C@@](N)(CC)c1ccc(C(F)(F)F)cc1 2343737016 PPPPCSRCRHGFHQ-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)cc1C 2344341717 DSPQVQTZFXAFMN-ROUUACIJSA-N 259.437 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCCC1(F)F)NCC 2344348721 MYKCQLOCXCEHKK-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(CC(C)C)c1 2344459942 MPWRFMNAKMVBTC-ZWKOTPCHSA-N 260.421 4.911 30 10 CJEE Cc1ccc(CCOC[C@@](C)(CS)C(C)(C)C)cc1 2352109393 DWMDEVSKVYYVSZ-KRWDZBQOSA-N 280.477 4.536 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)C[C@]2(C)CCO[C@@H]21 2358322060 JRTDFBNDZPCKBK-OKZBNKHCSA-N 280.452 4.613 30 10 CJEE C=CCC(CC=C)SC[C@](C#N)(CC(C)C)NCCC 2360339931 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CCCCCCCC[C@H](N)c1sccc1OC 158989310 RNEFNWYJXURXJJ-LBPRGKRZSA-N 255.427 4.507 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 164932381 SQIXPWLGKXPHQO-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C)c(Br)c1 167811483 NPOCNJWJHFROSU-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 168241753 XKTNRJLGUZMXNW-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE SCC1(COC/C=C\c2ccccc2)CCCCC1 211556210 LYFGJOQCVJAWAY-YFHOEESVSA-N 276.445 4.597 30 10 CJEE CC(C)C[C@H](C)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222799995 REUUVKDPNPLFGX-VVLHAWIVSA-N 278.484 4.707 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](CC)CN 226415499 DBJATULVTCHICP-INIZCTEOSA-N 269.473 4.851 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(F)c(Cl)c1 232515025 KORGGVCWPLNUCP-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE C=CCCCCCN[C@H](c1cccs1)C(C)C 232737364 IPJNWPYBQBRVIG-HNNXBMFYSA-N 251.439 4.781 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1CNC1CC1 236052827 WWWWTUKESPLVLQ-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE CCN(CC)c1ccc(N=C/C=C/c2ccccc2)cc1 254576771 BODGKRNEHJKQCY-FDVFYNKDSA-N 278.399 4.949 30 10 CJEE CC[C@@H](C#N)c1ncc(-c2ccc([C@H](C)CC)cc2)[nH]1 259178837 VXSPVSHZSAMYEQ-OLZOCXBDSA-N 267.376 4.607 30 10 CJEE CC(C)(C#N)Cc1csc2ccc(Br)cc12 260243181 KGEPORBFFNADNX-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE C[C@H](CCC(C)(C)C)Nc1ccc(C#N)cc1Cl 310818239 CNCMPRSTGIVWGC-LLVKDONJSA-N 264.800 4.838 30 10 CJEE C=C([C@@H](CCCCCCCCC)NC)C(F)(F)F 310970360 DDNHGSWTPGKUPR-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(N)cc1C(F)F 312899303 XRPJQVUZKGNVGA-UHFFFAOYSA-N 294.688 4.524 30 10 CJEE C=CCOCC[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317982949 NBXAKZVNFYUXSJ-AEFFLSMTSA-N 281.484 4.554 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1cccc(Br)c1 319652462 DPWFLUQEGPZOSJ-COPLHBTASA-N 280.209 4.738 30 10 CJEE CC[C@H](Nc1ccc(C#N)c2ccccc12)C1CCC1 324888963 LWALBKJKKYYODD-KRWDZBQOSA-N 264.372 4.702 30 10 CJEE CCCCCCCCCCNCc1cc(C)ccn1 328003789 OKNUZQMYHKTWBR-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)[C@@H]1CC2CCC1CC2 382249535 WZLKLKDGGBUXAO-OTBWCIGPSA-N 276.468 4.511 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)C(CC)(CC)CC)C1 395246777 WVKMUYJHWPQOKD-HLLBOEOZSA-N 265.441 4.674 30 10 CJEE CCCC1CCC(NC[C@H](C#N)C2CCCCC2)CC1 397305963 MWDLTQLHYUXONU-NXYGQSRBSA-N 276.468 4.655 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 398076499 OWDWJWZGBZPSON-JKSUJKDBSA-N 275.436 4.869 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CCc1ccccc1 466264666 FQAALCHVUFTADT-HKUYNNGSSA-N 299.458 4.603 30 10 CJEE N#Cc1cc(-c2ccc3c(c2)C=CC3)ccc1C1CC1 675054808 ZOPHGPOWLFQTKF-UHFFFAOYSA-N 257.336 4.672 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCC2 682803848 ULNDYMCMOYMADE-INIZCTEOSA-N 283.415 4.667 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@H](C)O[C@H]1C 686455639 ZSWPKRDOBVKOHM-XYJFISCASA-N 281.484 4.673 30 10 CJEE C#CCCCCCC(=O)c1ccc(OCCCC)cc1 686701380 JVOABYHTAGRTSS-UHFFFAOYSA-N 272.388 4.632 30 10 CJEE CCCCCCCCCC[C@@H]1COC[C@H]1NCCC 687952433 CCXUFACHZQHTSW-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE Cc1cc(OCc2ccsc2Cl)c(C)c(C)c1C#N 687992079 JEIFTPKPKVZOOX-UHFFFAOYSA-N 291.803 4.777 30 10 CJEE CC[C@@H](C)OCC1(C#N)CC(C)(C)CC(C)(C)C1 688334960 LAOPGGXMPVLQET-CYBMUJFWSA-N 251.414 4.548 30 10 CJEE CCCCCCCCCNc1ccc2c(c1)CN(C)C2 689458734 NCVPXTIEABQBJW-UHFFFAOYSA-N 274.452 4.795 30 10 CJEE CCc1ccc(CC)c(N=C2N[C@](C)(C(C)C)CS2)c1 689609405 DZFMSJZGZBHWGU-KRWDZBQOSA-N 290.476 4.550 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCCSCC1 690345162 OXJNVTPFVFYDLB-LSDHHAIUSA-N 257.487 4.598 30 10 CJEE CCCCCCCCCCCCN(C[C@H](C)N)C(C)C 692162494 UKNHRHHKCNVKGY-SFHVURJKSA-N 284.532 4.965 30 10 CJEE COC1(CC2(C#N)CCC(C)(C)CC2)CCCCC1 692828346 YVDIECQKVJFTFX-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CC1CCC(C#N)([C@H](O)c2cc3cscc3s2)CC1 693992185 DUAIDXSDJQRDSP-CIQACWJJSA-N 291.441 4.716 30 10 CJEE C=CCCC[C@H](NC)c1cc2cscc2s1 694383424 LNHYRNMHYYISCI-NSHDSACASA-N 251.420 4.580 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(CCC)CCNC1 695319993 YTUWTYJJZIIUAA-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)NCC2 695624437 YZKNBIUQZGADDD-GOSISDBHSA-N 275.436 4.829 30 10 CJEE C=C1C[C@H]2CC(NCC(C)(C)C(C)(C)C)C[C@@H](C1)C2 700366469 BVNUOWMYGGPPOT-XYPWUTKMSA-N 263.469 4.783 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CC1(F)F)NCCC 701984246 MLNPYKOKASEURB-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)C(F)(F)F)NN 705563083 MOGDHXDBNOKZEH-QWHCGFSZSA-N 282.394 4.548 30 10 CJEE CCC[C@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708028417 BCSXRNUCWUZLNZ-GXFFZTMASA-N 255.283 4.749 30 10 CJEE CCc1cc(C)cc(CC)c1NCc1ccc(C#N)s1 709659739 RHGVFCQZZMHCGS-UHFFFAOYSA-N 284.428 4.665 30 10 CJEE N#CC1([C@@]2(O)CCCC[C@H]2C2CC2)CCCCCCC1 710205479 TUTSJPTWEVYELN-FUHWJXTLSA-N 275.436 4.572 30 10 CJEE C=C(Cl)CC1(CNC(C)C)CCC(CC)CC1 710622490 PORAFFFTVDBFLN-UHFFFAOYSA-N 257.849 4.714 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2ccc(C)cc2Cl)C1 710740994 PDPBIAZVTVSFEE-KBRIMQKVSA-N 293.838 4.556 30 10 CJEE CC[C@H](CC(=O)Nc1ccc(Cl)cc1C#N)C(C)(C)C 711081273 LTDRAEBJBSJQOZ-GFCCVEGCSA-N 292.810 4.613 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCC2)CS1)c1ccccc1 713203043 PWBFSKVCOIWQHM-CQSZACIVSA-N 288.460 4.533 30 10 CJEE C=CC[C@H](C)Nc1cc(Cl)ccc1OC(F)(F)F 715037022 BKOOVPZBIVQVLF-QMMMGPOBSA-N 279.689 4.615 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC[C@@H](C3CC3)O2)CC1 715381519 HVPZBYGQAVXHDV-MKFDVMFOSA-N 278.436 4.510 30 10 CJEE C=CCCCCCCNCc1sc(C)cc1C 719444133 HMHOXHGLAMCSQT-UHFFFAOYSA-N 251.439 4.591 30 10 CJEE C=CCCC[C@@H](C)NCCc1cc(Cl)cc(Cl)c1 722115474 RODBAQSPBQSUAS-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](OCC)C(C)C)CC1 724571861 WVNRFZMGVWUCBI-ROUUACIJSA-N 281.484 4.552 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1cccnc1)c1ccccc1 883326660 IGKSSDTVLWEPDR-VQIMIIECSA-N 280.415 4.830 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 1126449722 BSUZCLOVDKPZHV-IEBWSBKVSA-N 299.458 4.959 30 10 CJEE C=CCC1(C(=O)N[C@H](CCC)C2CCCC2)CCCC1 1129639464 YUMDGQFBOOISFL-MRXNPFEDSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)CCCCCC)CCCCC1 1136022441 FBESQEONIYVUPQ-INIZCTEOSA-N 279.468 4.988 30 10 CJEE C=CC[C@H](NC[C@H]1CCC[C@H](CC)C1)c1ccncc1 1177885280 OCPXEWDRUIQMKI-BQFCYCMXSA-N 272.436 4.505 30 10 CJEE C=CC[C@H](C)N[C@H](Cc1ccccc1)c1cccs1 1193240585 VBFJRWCSQHUAJU-GOEBONIOSA-N 271.429 4.586 30 10 CJEE C=CCCC[C@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1207341229 KTSPJWBDKHHUGH-DSLXNQLJSA-N 269.432 4.862 30 10 CJEE C=C1CCC(CN[C@H](C)Cc2coc3ccccc23)CC1 1207492790 JXYPKFQPUYNWMI-OAHLLOKOSA-N 283.415 4.700 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc3occ(C)c3c2)C1 1216764284 UUASNUNJWIQXIE-AWEZNQCLSA-N 298.386 4.561 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 1308482642 RQICTLUXQTVIHD-VMGRFDJRSA-N 275.823 4.662 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H](CC)c2ccccc2F)C1 1308847437 CBIVACNMMURUKI-VBQJREDUSA-N 261.384 4.611 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cccc2[nH]ccc12 1308912335 AZWSVXMGHUPMAD-OAHLLOKOSA-N 270.420 4.783 30 10 CJEE C=CC[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 1350628539 RIBLHSAHNAMKNN-SFHVURJKSA-N 279.383 4.602 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1435913148 GNGSMHXWSLDOKU-DLBZAZTESA-N 291.479 4.866 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(OCCC(C)C)c(F)c1 1437183122 YJUSHBRBEJIJNN-UHFFFAOYSA-N 293.382 4.545 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC)C(C)(C)c2ccccc2)CC1 1456759147 HTYYEBJITROCJH-SFHVURJKSA-N 299.458 4.605 30 10 CJEE C#CCCCCCCOc1cc(C)ccc1Cl 1458731994 LBCQNYCUSBHBMA-UHFFFAOYSA-N 250.769 4.611 30 10 CJEE C=CCCC1(CNC(=O)c2ccccc2CC)CCCC1 1461529371 QLVAACWZYZMKLD-UHFFFAOYSA-N 285.431 4.505 30 10 CJEE C#CC[C@@H]1CCCN(Cc2c(C)ccc3cc(C)ccc23)C1 1473581067 HACSQBCRMRVRRQ-GOSISDBHSA-N 291.438 4.692 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1cc(C)c(OC)cc1C 1523658564 IQSYQWFNPMMNAE-LSDHHAIUSA-N 290.403 4.519 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1cccc(C)c1)CC(C)C 1526227346 XJFANQCVTJLZSJ-UHFFFAOYSA-N 287.447 4.582 30 10 CJEE C=CCN(C(=O)C[C@@H](C)CCC=C(C)C)C(C)(C)C 1529132480 IGTDAFUWAZHYMI-HNNXBMFYSA-N 265.441 4.572 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1SCc1ccccc1 1540522147 IVPRHOJKXBIQLF-UHFFFAOYSA-N 297.423 4.884 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C(C)=C/C1CCC(C)CC1 1543943379 QKGYACBSZRXSOI-DTQAZKPQSA-N 291.479 4.868 30 10 CJEE C=CC[C@@H](C)N(CC)Cc1ccc(Cl)c(Cl)c1 1559492720 AYEZQQWFFZXCQI-LLVKDONJSA-N 272.219 4.780 30 10 CJEE C=CCCCN[C@H](c1ccc(CC(C)C)cc1)C1CC1 1559683146 ZMTUEUXNIYFYEI-LJQANCHMSA-N 271.448 4.892 30 10 CJEE C=CCCCCNC(=O)c1ccccc1Nc1ccccc1 1567929507 HCOCFNYJWUMENH-UHFFFAOYSA-N 294.398 4.516 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1CCCC12CC2)c1ccccc1 1587719985 ABKKKOWZVFYHEX-ROUUACIJSA-N 297.442 4.575 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 1588036226 RIJPSXGGPYPXKC-QZTJIDSGSA-N 299.458 4.506 30 10 CJEE C=CCN(Cc1cc(Cl)cc2ccccc12)C(C)C 1615302314 CRCDTVZVZXZOPI-UHFFFAOYSA-N 273.807 4.890 30 10 CJEE C=CC[C@@H]1CCCN(C/C=C\c2cc(C)c(C)cc2C)C1 1621430262 BBGCLZNGHJXHFU-JNLAIUADSA-N 283.459 4.913 30 10 CJEE C=C(C)CCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1642782122 RONUBSJFGSTWAY-OTWHNJEPSA-N 269.432 4.611 30 10 CJEE CCCCCCCCNc1nc(C(F)(F)F)cs1 1650879055 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CCCC[C@@H](C)c1nc(-c2cccc(C#N)c2)cs1 2108212617 CUXNXWYWRBEIOH-GFCCVEGCSA-N 270.401 4.975 30 10 CJEE C=CC1(CN[C@@H](C)c2ccc(CCC)cc2)CCC1 2111705972 PBOOXYJQUILCQA-HNNXBMFYSA-N 257.421 4.646 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@H]1CCCOC1 2112048589 RALPXXKDJYFBFH-DLBZAZTESA-N 270.457 4.695 30 10 CJEE Cc1ccc(C#N)c(NCC2(C)CCCCCC2)c1 2116023456 SIMGDYLZXYNJDS-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Cl)c(OC)c1 2116657181 BSUXQVRULDLSTO-DOMZBBRYSA-N 281.827 4.602 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@H]1CCCCC12CCC2 2117043946 HMNCSHIWAHPXCM-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C[C@H]1CCCCC[C@H]1Nc1cc(Cl)c(C#N)cc1F 2120890404 CHVBMVIIWZEPKC-IINYFYTJSA-N 280.774 4.731 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCC[C@H]3C[C@@H]32)NC)CC1 2120993322 XFCCRJNEOIEYEE-WNRNVDISSA-N 261.453 4.537 30 10 CJEE C=CCCCC[C@H](NCC)c1cc(C)c(F)c(C)c1 2123079577 FGEHBRLDYIDIMW-INIZCTEOSA-N 263.400 4.840 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H]1CCCCC(F)(F)C1 2123080727 PNAWCLCNIYVVHP-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)C1CCC2(CC1)CC2 2126504840 XEAXOHWNKTXEOX-HNNXBMFYSA-N 274.795 4.614 30 10 CJEE O=C[C@]1(CC2C[C@@H]3CCC[C@H]3C2)CCCCC12CC2 2126989852 GUUXUFPFRVWYPT-XYJFISCASA-N 260.421 4.742 30 10 CJEE C[C@@H]1CC[C@@H](Nc2cc(Cl)c(F)cc2C#N)[C@H](C)C1 2128013523 QEGLHEWLOKRBHA-GPCCPHFNSA-N 280.774 4.587 30 10 CJEE O=CC1(C[C@@H](F)C2CCCCC2)CCC(F)(F)CC1 2128469222 QQIGDLTWRWPLTR-CYBMUJFWSA-N 276.342 4.690 30 10 CJEE CC[C@H](CNc1ccc(C(C)(C)C#N)cc1)C(C)C 2133924174 QCFGBCIJSILTBC-CQSZACIVSA-N 258.409 4.582 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1C[C@@H]1C1CCCC1 2135992504 KBOWZDSLJUOQMA-JKSUJKDBSA-N 263.425 4.549 30 10 CJEE CCCCC#CC[C@]1(CNC(C)(C)C)CCC1(C)C 2138985715 SIDGIDXELNPVLT-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CSc1cccc(N[C@@H]2CC(C)(C)C2(C)C)c1C#N 2140233331 STBOOSQPSYBJHE-CQSZACIVSA-N 274.433 4.517 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1CC[C@H]2C[C@H]2CC1 2141908052 KMLCTDBZWLLPLB-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@](C)(C(=O)O)c1ccccc1 2142002466 PQOISGORJHBJDE-KRWDZBQOSA-N 260.377 4.556 30 10 CJEE C=CCCCCCCCCC[C@@](N)(CCC)COC 2142449677 CLLGIVKSXGBKPD-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCCC3(CCC3)O2)CC1 2143613650 VGIVKKTUHOCARR-AQFXKWCLSA-N 278.436 4.654 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CCCC[C@@H]1C 2148591043 OFKSOFSPHGMZQN-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCS[C@H]2CCOC2)CC1 2149129754 OYBXAPRBFKXUBE-CKDBGZEDSA-N 295.492 4.645 30 10 CJEE CCCCCCCCCOc1cc(CCN)ccc1C 2149632580 LDJRXZAGGHWZON-UHFFFAOYSA-N 277.452 4.626 30 10 CJEE CC1(C)CC[C@H](CN=C2NC3(CCCCCC3)CS2)C1 2150822508 VMOFNDJYSQTDKC-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCCCCC1(F)F 2152784860 WBHIVYYVVWIHMY-OAHLLOKOSA-N 278.346 4.659 30 10 CJEE C=C(C)CC[C@H](C)NCC1(c2ccccc2)CCCC1 2152853067 BAUPLTDLTLHGPN-KRWDZBQOSA-N 271.448 4.833 30 10 CJEE C=C([C@H](NCC)c1cccc2c1CCCC2)C(C)(C)C 2152949994 FQZSJDDDXGZSHQ-SFHVURJKSA-N 271.448 4.818 30 10 CJEE CCCCCCC[C@H](NCC)[C@](C)(O)[C@@H](C)CC(C)C 2153923399 OPOXGNKZOWOEJF-OKZBNKHCSA-N 285.516 4.758 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)c(O)c1 2154602252 LENQGEINLKNRCW-OAHLLOKOSA-N 279.424 4.541 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)C[C@H](OC)C1(C)C 2156666918 WRTKBMUUPVZROK-WMZOPIPTSA-N 281.484 4.552 30 10 CJEE Cc1nc(NC[C@@H]2CCC[C@H](C)CC2)c(Cl)cc1C#N 2159519633 SMGDPHVBFQWYTM-WCQYABFASA-N 291.826 4.543 30 10 CJEE CC1(C)CCCC[C@@]1(C)NCc1ccc(C#N)cc1Cl 2159829764 NBUHROZBWVRLSD-QGZVFWFLSA-N 290.838 4.660 30 10 CJEE CCCCCCCCCNCc1cnc(C(C)(C)C)o1 2160589305 HZMQSMQHICSYCF-UHFFFAOYSA-N 280.456 4.812 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1F 2161403986 DAQYQHAJCILWKA-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(O)CC[C@@H]1CC 2161950954 LJRRQJMGRZBJNG-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE C=CCOc1ccccc1C(=O)CCC1CCCCC1 2163966731 CZDPJTJSBJMMIU-UHFFFAOYSA-N 272.388 4.795 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(OCCC)cc1 2164270427 OQKMIXVXKSNHLG-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCC[C@](C#N)(CC)CCc1ccc([N+](=O)[O-])cc1 2164474847 ICZOZJSTJFUCBG-MRXNPFEDSA-N 274.364 4.638 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccnn1C1CC1 2164487343 LMTZZEYSLWFBOT-KRWDZBQOSA-N 278.440 4.782 30 10 CJEE C[C@@H]1CC(C#N)(Cc2cc3ccccc3s2)C[C@@H](C)O1 2164997459 BDVXEOKVDKEMPR-CHWSQXEVSA-N 285.412 4.541 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC2(CCCCC2)CO1 2166288339 YRRGHDYMYRYPCR-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]1(COC)CC=CCC1 2166500252 RCBSCEOKPCLMBB-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE CCC[C@](C)(C=O)CN(C)[C@@H](C)C1CCC(C)(C)CC1 2168491613 MDSUBOVFANDMHN-YJBOKZPZSA-N 281.484 4.528 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)[C@@]2(C#N)CCCC(C)(C)C2)C1 2168542714 VAXBJBMCUWJGDZ-HPFXQQBRSA-N 277.452 4.674 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)[C@H]1CCCC(C)(C)C1 2168569864 PKXUQMGZBJBQKP-OCCSQVGLSA-N 274.383 4.714 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(C(F)(F)F)n1 2172805042 SXWUAYXDOAXWBT-LBPRGKRZSA-N 288.357 4.851 30 10 CJEE CCCCCCCCCCCC(=O)c1nccnc1C 2174459967 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C=C[C@@](C)(CNC(C)(C)C)C1CC(c2ccccc2)C1 2191362855 IWVXMDCLKNAMSQ-TVPLGVNVSA-N 271.448 4.761 30 10 CJEE N#CCN(Cc1cc(Cl)ccc1F)C1CCCCCC1 2195542596 WIFOTOGGHNOFAR-UHFFFAOYSA-N 294.801 4.527 30 10 CJEE C=CCCCCC[C@@H](O)c1ccccc1OC(F)(F)F 2196481228 KAEHCOCIEGYKMO-CYBMUJFWSA-N 288.309 4.755 30 10 CJEE CCCCCCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 2196703910 JCNRMGHPBLIZFG-UHFFFAOYSA-N 298.814 4.650 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1csc2ccccc12 2196852886 DXWWRWCPWOOHRS-PBHICJAKSA-N 285.456 4.992 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 2196853073 FVBKIDFMGXGPCJ-XWTMOSNGSA-N 277.496 4.867 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1c(F)cccc1Cl)C1CC1 2196856545 HLZOATRJHAYACT-XJKSGUPXSA-N 293.813 4.569 30 10 CJEE C=CCCCCOc1cccc([C@@H](CC)NCCC)c1 2197412621 KDWXHGZLORKLQJ-GOSISDBHSA-N 275.436 4.872 30 10 CJEE N#Cc1cnc(Nc2ccccc2C2CCC2)c(Cl)c1 2197922909 DXWXLKBXGZYLGI-UHFFFAOYSA-N 283.762 4.618 30 10 CJEE C=C(C(=O)[C@H]1C[C@@H]1C1CCCCCC1)c1ccccc1 2200104728 IPKXBGABOISBHP-MSOLQXFVSA-N 268.400 4.875 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2C[C@H]2c2ccccc2)CC1 2200393390 XYXLRSIVNASYQL-SJORKVTESA-N 270.416 4.966 30 10 CJEE SC[C@H](COC[C@H]1C[C@@H]1C1CCCCCC1)CC1CC1 2200740512 XDVXGGSCNNUYPD-CGTJXYLNSA-N 296.520 4.956 30 10 CJEE CCCCCCCCOc1nc(Cl)nc2c1C[C@@H](C)C2 2202403583 HFMSPJMGOMPRAS-GFCCVEGCSA-N 296.842 4.604 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc(C2CC2)cc1 2203787639 OZWNIAFLEZVWLS-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCC#CCC1(CNCC)CCC2(CC2)CC1 2203819513 NXEGMUWONFMWHB-UHFFFAOYSA-N 275.480 4.910 30 10 CJEE C#C[C@@H](N[C@H](CC)C1CCC(C)(C)CC1)C1CCCC1 2204035171 YOZFWVRBSYZEIP-QZTJIDSGSA-N 275.480 4.763 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 2206596446 OUCYTAJCFGHHBG-XHDPSFHLSA-N 292.766 4.528 30 10 CJEE C=CCCCCCCOc1cccc2c1CCC[C@@H]2N 2206893801 DLGUSEQTFANXAA-KRWDZBQOSA-N 273.420 4.538 30 10 CJEE C=CCCCCCC[C@@H](N)C1(O)CCC(C)(CC)CC1 2206894972 PGWIVTOMLZIAPA-WWDZGPRUSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@@]1(CN)CCC[C@@H](OC)C1 2207425071 MJFSZNMYKIFWNP-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1cc(C)ccn1 2207429995 PENGCPCKJMLTMU-KRWDZBQOSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCCCC1(O)C[C@H]2C=C[C@@H](C1)O2 2207439596 SURVBEPVNMPFMO-JWTNVVGKSA-N 278.436 4.532 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1cccc(CC)c1 2207444959 NRVUEHGFRYTODU-KRWDZBQOSA-N 276.420 4.543 30 10 CJEE CCCCCCCCc1cc(C2CCC(N)CC2)on1 2207456458 KCLDFRSQFVFFCM-UHFFFAOYSA-N 278.440 4.563 30 10 CJEE Clc1cc(C[C@@H]2CCC[C@H]3O[C@H]23)cc(Cl)c1Cl 2212885151 XXGBNCQYSHHWMC-RLCGTCKNSA-N 291.605 4.757 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1[C@H](C)C1(F)F 2223832110 NKWQRDLCZVOZQP-IHRRRGAJSA-N 261.400 4.746 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2CSC[C@H](C2)C1 2228525875 LCDLSOBIJKTELU-FVQHAEBGSA-N 283.525 4.858 30 10 CJEE C=C[C@H](CC)OCCC(CC)(CC)CNC(C)(C)C 2231026685 SHTPIBPWDUVWOW-OAHLLOKOSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CCC(=O)O 2231027989 YUOMABZVGLMLQT-HNNXBMFYSA-N 272.429 4.787 30 10 CJEE CCCCCCCCCCCO[C@H](CN)CC(C)C 2231076305 MHODWZMPPKXRPR-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=C[C@](C)(CCSc1ccccc1)CNC1CCC1 2231554552 GVSLEJYZJDVDIP-QGZVFWFLSA-N 275.461 4.503 30 10 CJEE CCCCCCCC[C@]1(C)CNC[C@@H](CCCC)O1 2231941855 SWFRVEUXIYJRQG-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1cccc(C(C)C)c1OC 2233241504 OJBDCBICYSOVFM-PBHICJAKSA-N 275.436 4.681 30 10 CJEE C=CCCCCCCCCO[C@H](C)[C@@H](C)CNC1CC1 2234055306 BMPPYKDLJXAOPX-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H](OC)C(C)C 2235512175 AWTYPPSIHVTAIO-ZWKOTPCHSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@]1(C)CCCOC1 2235521764 MOWXVLQMKFGFFW-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@](O)(CC)c1ccc(F)cn1 2235532427 KJWHBDJTCAERRF-QGZVFWFLSA-N 279.399 4.735 30 10 CJEE C=CCCCCCCC[C@H](NCCC)C1CCOCC1 2235540623 YTFISAVKFZENNC-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CCCCCCCOCc1cnc(CN[C@@H](C)CC)s1 2238505907 ONNWYGOJVDHXPT-AWEZNQCLSA-N 298.496 4.518 30 10 CJEE CCCCCCCCCO[C@@H](CNC1CC1)C(C)(C)C 2239461209 CTFNDMXLRGLHNH-KRWDZBQOSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](N)[C@@]12CCC[C@H]2C 2239490759 UMEGSCOUDCEDNF-XDNAFOTISA-N 281.484 4.660 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1 2239502114 NUIVMXGBTUOJOA-TVFCKZIOSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCO[C@@](CC)(C(=O)O)C(F)F 2239502398 UEDUFBWCPQWMPN-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C#CCC1(Nc2nc(Cl)cc3ccccc23)CCCC1 2239762092 IQELCBFILSQBMK-UHFFFAOYSA-N 284.790 4.636 30 10 CJEE C=C(C[C@H](NCCC)c1ccc(C2CCC2)cc1)OC 2240373220 KIGGDZWBUVDGIF-SFHVURJKSA-N 273.420 4.545 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)CCC1CC1 2240561367 VHCWYBRMNRRLGW-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@H](C1)O2 2240614517 RENHLEJRCUWTHR-FJIDUMEYSA-N 282.468 4.836 30 10 CJEE CCCCCCCC[C@@H](C)NC1C(C)(C)C(O)C1(C)C 2240654952 WUZLXABKUJMZNS-QQFBHYJXSA-N 283.500 4.511 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CC(C)(C)C(C)C 2240667681 YRBSBCZQYGFYNO-AEFFLSMTSA-N 285.516 4.888 30 10 CJEE C=C(C)CCCCNc1cccc(Br)c1C 2244630248 POUQFAVBRGSAJH-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE Brc1ccc(C#CCC2=CCCCC2)cc1 2246253728 MISLFBMZWSAVFI-UHFFFAOYSA-N 275.189 4.691 30 10 CJEE C=C(C)CCCCN[C@@H](C)c1cccc(Br)c1 2250160886 FRLNSLVXZOCCBM-ZDUSSCGKSA-N 296.252 4.846 30 10 CJEE C#CC[C@H](CSC[C@H]1CCCCC1(F)F)C1CC1 2256089901 AKNKYQJOUMPEIK-ZIAGYGMSSA-N 272.404 4.595 30 10 CJEE C=CCCCCC[C@H](NC)c1csc(Cl)c1OC 2256830539 LIJSRDIZQNNRMN-LBPRGKRZSA-N 287.856 4.807 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(OC)s1 2259195237 QMWQDTNWGDTLJY-ZDUSSCGKSA-N 267.438 4.544 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@]23CCCC[C@H]2CC3)CCS1 2260578452 LRONKGMVDFDLNW-FXUDXRNXSA-N 263.450 4.772 30 10 CJEE C=CCCCCC[S@@](=N)(=O)C[C@@H](CC)CCCC 2263802820 ANJNAPHXFOTTGR-MAUKXSAKSA-N 273.486 4.996 30 10 CJEE CCCCCCC[C@H](NC)C1(C)CC(C(F)(F)F)C1 2264516641 BXGHJKPSUYWWCR-MOKVOYLWSA-N 279.390 4.914 30 10 CJEE CCc1cccc(F)c1Nc1cc(Cl)ccc1C#N 2267944185 AIODACCDECMWFR-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NC)c(C)c1 2268030523 OVVVJZNLZRGWQP-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H](C)CC(C)C 2268739422 PXOVDZQLGZIUCK-IAGOWNOFSA-N 263.469 4.643 30 10 CJEE Cc1cc(Nc2cccc(Cl)c2C#N)cc(C)c1C 2270593308 JLPVJIROMDWRQE-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCCCCCCCSc1ncc(CN)cc1Cl 2271506148 PQCWQSWYYGIPNQ-UHFFFAOYSA-N 298.883 4.812 30 10 CJEE C=CCCCCCCCSc1ccc(CC#N)cn1 2271517428 XHIBXLJFYSIMQL-UHFFFAOYSA-N 274.433 4.766 30 10 CJEE C=CCCCCCCCSC[C@H](NC)c1cscn1 2271589725 HWJQMMCJKHMZRR-AWEZNQCLSA-N 298.521 4.663 30 10 CJEE C=CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1NCC 2271592573 XVMWHNPCBPNWEX-HRCADAONSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1CC(=C2CC2)C1 2271781348 NTGVAQDMCJYJMN-SFHVURJKSA-N 261.453 4.992 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cccnc1C 2271786672 ZTIZUCPYXUXUQZ-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1 2271796222 DLUDBVFCUQJOLK-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CC1CC2(C1)CC(CC1(C=O)CCC(C)(C)CC1)C2 2272158918 LWKRZWFRQKBKKP-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE N#Cc1cc(NC[C@@]23CCCC[C@@H]2CC3)ccc1Cl 2273427392 PSBDQSHAORGAFX-CJNGLKHVSA-N 274.795 4.594 30 10 CJEE CC=C(C)[C@](C)(CCCCCCCC)OCC(=O)O 2275049179 KJVKZCUWSMHEAT-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(CCC1CC1)OCCCN 2276252099 VFZQQEZZOJGBMO-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCN(Cc1ccsc1C#N)C1CCCCC1 2277462805 BHLNMGWFZXGPQQ-UHFFFAOYSA-N 276.449 4.555 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC(C)(C)COC 2278159303 CXLRVCRRRQWRRQ-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C=C(Cl)COCCCCCCCCCCCNCC 2278769888 UXYQSEQZGQHQJD-UHFFFAOYSA-N 289.891 4.876 30 10 CJEE C=CC1(NCCC23CC4CC(CC(C4)C2)C3)CCCC1 2279780635 CAODRWLRNZTDMV-UHFFFAOYSA-N 273.464 4.681 30 10 CJEE CCCCCCCC[C@@](C)(N)C#Cc1ccccc1F 2281381357 QBCLAPUKBPZIPE-GOSISDBHSA-N 275.411 4.645 30 10 CJEE C=C(CC)COc1cc(C)c(CNC(C)(C)C)c(C)c1 2282958936 BSTBPAUXOUTEHF-UHFFFAOYSA-N 275.436 4.537 30 10 CJEE C[C@H]1CC[C@@H](CSc2nc(C(C)(C)C)ccc2C#N)C1 2284048935 NVDWPYAXZSFXSL-QWHCGFSZSA-N 288.460 4.779 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CCC2(CCCC2)CC1 2284097845 BMMRKXFHWBZCBY-UHFFFAOYSA-N 273.464 4.814 30 10 CJEE C#CC[C@H]1CCCN1C(=O)CCCCCCCCCC 2287049088 MPDOOBFISDIBFN-KRWDZBQOSA-N 277.452 4.532 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCc2ccccc2C1 2287467859 QONWBMPMYDQHRJ-RTBURBONSA-N 271.448 4.516 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cscc1C(F)F 2289689620 FQIYTZMPLFDIKK-OAHLLOKOSA-N 297.414 4.920 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1CC(C)(CC)C1 2289859775 OEOLVUQKCCSPJA-XBMUEBEBSA-N 275.480 4.765 30 10 CJEE O=C(CC#CC1CCCC1)C1CCC(C(F)(F)F)CC1 2289925737 XVMFDIOXGKRQCT-UHFFFAOYSA-N 286.337 4.508 30 10 CJEE C=CCCCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1C 2292569210 VTSZPPQPWAISII-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)c1ccoc1 2292649733 LLIZIXGVFCPEAK-QGZVFWFLSA-N 279.424 4.603 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1 2293035116 SQTHPNPUVZHDRR-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCN)CCCCC[C@@H]1C(C)C 2293135481 WURNQPJGPMWUNK-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1ccccc1Cl 2294047823 LFCRWIPPTXAACA-KRWDZBQOSA-N 295.854 4.883 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@@]1(C)COC 2295685373 WYIALFYEPWQOJP-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCC[C@H](CC)CSc1cc(C#N)ccc1[C@H](C)O 2295788962 MIYKFSNWANOWNC-KBPBESRZSA-N 291.460 4.920 30 10 CJEE O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccccc1 2297331674 ZPJKPZZNTLKKLM-UHFFFAOYSA-N 292.165 4.802 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc(Br)c1F 2301051960 AZACOWZPSPNKGQ-UHFFFAOYSA-N 297.167 4.539 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1csc(C(F)F)c1 2304045893 KJTKTLKUTSSNAS-JOYOIKCWSA-N 259.365 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Br)ccc1C 2304063541 VMAPPJVKOOTCEQ-GJZGRUSLSA-N 296.252 4.750 30 10 CJEE CSc1cc(Nc2ccsc2Cl)ccc1C#N 2308068535 NRTMRRHNXCESRV-UHFFFAOYSA-N 280.805 4.739 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(Cl)c(F)c1 2315352321 ZPEMFMGODFVJFT-WXHSDQCUSA-N 265.759 4.913 30 10 CJEE CC1=C(C)C[C@@H](Nc2ccc(Cl)cc2C#N)CC1 2320374309 YGUTVRJLQSUFRD-AWEZNQCLSA-N 260.768 4.512 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C(C)(C)C)CCC1)NCC 2321119459 YTPYODRIXKUHHT-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(CCC)CC1)NCC 2321140242 GCUSMVIAKBFUIB-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CC1CCC(C#N)(CCC2(C(F)(F)F)CC2)CC1 2321589309 JAHQYEFESYBBEV-UHFFFAOYSA-N 259.315 4.829 30 10 CJEE C=C([C@H](NC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2325209283 MVEBHCJPWQIAQC-ZDUSSCGKSA-N 290.209 4.995 30 10 CJEE C[C@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329794828 PYHGMYOSRLELOD-XPABHHOTSA-N 267.363 4.778 30 10 CJEE C=C1CC(C[C@@H](C[C@H]2CCC[C@@H]3C[C@H]23)NCCC)C1 2331379182 MVGRCAWSQNQPNY-ZJPYXAASSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2333706821 YGNTXRYOBASZNR-ADHGMGHFSA-N 261.453 4.667 30 10 CJEE C=CC[C@@H](C)Sc1ccc2c(c1)CCC[C@H]2NCC 2335245184 MFVPTIFFLKLMBA-CXAGYDPISA-N 275.461 4.730 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)c(Cl)c1 2337080346 HBTXYZRSHRVVJX-MQIPJXDCSA-N 281.802 4.875 30 10 CJEE CCCCCCCCCCCOC(=O)[C@H]1C[C@H](S)C1 2337172054 QHQUHJSOBBXUBV-SHTZXODSSA-N 286.481 4.769 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cc2cscc2s1 2337434225 IDIVAFSVRNDVBO-AWEZNQCLSA-N 289.469 4.807 30 10 CJEE N#C[C@]1(Cc2cc(F)ccc2C(F)F)CC=CCC1 2338028567 XCTFAMPHFITOBQ-OAHLLOKOSA-N 265.278 4.556 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](CC)CC[C@@H]1CNCC 2338725155 OFQUOQLXDCCQEB-JQHSSLGASA-N 263.469 4.807 30 10 CJEE C#CCCCC[C@@H](CCC1=CCCCC1)NCCC 2340210178 AAAAHAPRCCCJGZ-SFHVURJKSA-N 261.453 4.829 30 10 CJEE C=C(C)C[C@@H](CC(F)(F)c1ccccc1)NCCC 2341925601 CEAPQDPQBCMZJD-HNNXBMFYSA-N 267.363 4.503 30 10 CJEE C=CC[C@@](C)(O)C[C@H](c1ccccc1)C1CCCC1 2342471017 QGXSZTOHQGMHON-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE CC1(C)CCC(C=O)(CC[C@H]2CC[C@H]2C2CC2)CC1 2342565531 MFNNWOFKKPPDNG-CVEARBPZSA-N 262.437 4.988 30 10 CJEE C=CCC(C)(C)[C@H](CCCC(F)(F)C(F)(F)F)NC 2344383271 ZSOSBFJBHJYHBS-JTQLQIEISA-N 287.316 4.545 30 10 CJEE CCCCCCC[C@](C)(Sc1ccoc1C)C(=O)O 2351824557 KSXIIOVRCNDNOK-HNNXBMFYSA-N 284.421 4.884 30 10 CJEE CCC[C@H](CC)COc1c(C#N)oc2ccccc12 2353352406 WFLXSPVDDUHZBF-LBPRGKRZSA-N 257.333 4.510 30 10 CJEE CCCCC1CC(Nc2ccc(C#N)c(SC)c2)C1 2353828178 OWILTPACACZFCB-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CCC[C@@H]2C[C@@H]21 2360146412 SYGWSEACUQBTFO-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CC[C@@H](C)Sc1nc(CCC)nc(NCCC)c1C 2360208474 PDBLFMYASKLGDS-GFCCVEGCSA-N 293.480 4.616 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1C#N 21500680 YQLOBKMKDWYJEC-OLMNPRSZSA-N 271.404 4.536 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1ccc(Cl)cc1 36913422 VUKILOCCOSQBOT-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@@H]2C)C1 37145683 NLZPKHTZVAGBJO-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2c(C)cc(C)cc2C)cc1 57684971 LYVYQRBQCVFZHD-LJQANCHMSA-N 293.410 4.997 30 10 CJEE Cc1cc2nc(-c3cccs3)n(CCCC#N)c2cc1C 57868991 GSDQZFBMOCDDKO-UHFFFAOYSA-N 295.411 4.685 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 59434579 HYDZCPSGMSALPU-HOTGVXAUSA-N 272.436 4.958 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)c1ccccc1 80799626 DKGMNDHIVPXVME-RHSMWYFYSA-N 298.817 4.640 30 10 CJEE Cc1cccc(CSC[C@@H](C#N)c2ccccc2)c1 80800934 BTRBHJOGHHXCJV-QGZVFWFLSA-N 267.397 4.536 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(F)cc2Cl)C1 87996777 UUFOWCMLCVBXPS-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=CCOc1ccc(-c2ccc(Br)cc2)cc1 90750763 IUGWTGTWXBSJBT-UHFFFAOYSA-N 289.172 4.681 30 10 CJEE Cc1ccc(F)cc1CC1(C#N)CCC(C)(C)CC1 97856943 QWBZMQCPBBSWQU-UHFFFAOYSA-N 259.368 4.787 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2c(C)cccc2C)cc1 103030103 AEWPAQCXGSJFJU-SEYXRHQNSA-N 295.382 4.511 30 10 CJEE CCCCCCC[C@](C)(C#N)Nc1ccccc1OC 103286435 VCXZNWAOEMUCAV-QGZVFWFLSA-N 274.408 4.750 30 10 CJEE CCCCCCCC[C@H](N)Cc1cccc(Cl)c1 109718429 HSBCATSBUNIQTM-INIZCTEOSA-N 267.844 4.960 30 10 CJEE CCCCCCCCCOc1ccc(C)cc1C(=O)O 109971185 CCSJFBMCZJULOJ-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE C=C(Cl)CNc1cccc(Oc2ccccc2)c1 110165224 HAYYAKQJWMFWML-UHFFFAOYSA-N 259.736 4.643 30 10 CJEE CCCCCCCOCCCCCCNCC(C)C 112718065 IILTWMWOULOLCJ-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCSc1cccc(N[C@@H]2CCCC[C@@H]2C)c1C#N 126991802 ZKHDOFWFHPYUPM-GXTWGEPZSA-N 274.433 4.661 30 10 CJEE Cc1cc(Cl)c(NCC#Cc2ccccc2)cc1Cl 128167849 ZCIPLNFJTCREGX-UHFFFAOYSA-N 290.193 4.765 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1cccc(Cl)c1 132726365 NEVUVXNGEYEMMA-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE CSc1cccc(Nc2cccc(C)c2C)c1C#N 136614591 MKVGDJPFHCJYRM-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CCCCCCCCCOc1cc(C)sc1CO 143161633 RJJIZRQTGMZMKH-UHFFFAOYSA-N 270.438 4.678 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C)ccc1N 158583567 CXZUWXSVYFCQCA-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCCCN[C@H](C)c1cccc(C#N)c1 160790254 UEZHICQRQMNNKY-OAHLLOKOSA-N 258.409 4.569 30 10 CJEE Cc1ccc(F)c(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164507777 FIDXGZIEDQHEGS-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE CCCCCCCC[C@@H](N)CCc1ccsc1 165392783 UDKNFFDDEOAFFJ-OAHLLOKOSA-N 253.455 4.759 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(Cl)cc2F)CC1 165705179 AYNPJGHUFQHOOS-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE N#Cc1cnccc1-c1ccc(C2CCCCC2)cc1 216885990 QLKRHCNZOSUYPD-UHFFFAOYSA-N 262.356 4.668 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccccc2Cl)C1 217815254 BGBQYVZYSZVWJX-ZOMKSWQUSA-N 290.838 4.661 30 10 CJEE CCC(CC)N(CC(C)C)c1c(C)cccc1C#N 221082531 TZCALPROADILPK-UHFFFAOYSA-N 258.409 4.518 30 10 CJEE CCC[C@@H](CS)COc1ccc(F)c(C(F)(F)F)c1 226464752 QTFKGMWAAVYAHL-SECBINFHSA-N 296.329 4.569 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2nc3ccccc3s2)C1 228475250 BGMBLZDLEPWAMZ-CXAGYDPISA-N 284.428 4.949 30 10 CJEE CC(C)(C)c1ccc(CC(=O)C=C2CCCCC2)cc1 232524143 VTPSZUGUJHGACL-UHFFFAOYSA-N 270.416 4.986 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)c(F)cc1F 232953075 KTOLUFSJMJJBLX-HNNXBMFYSA-N 273.342 4.854 30 10 CJEE C=C(C)CN(CC)c1ccc([C@@H](CC)NCCC)cc1 233163805 QVUNHXHIRNBILZ-GOSISDBHSA-N 274.452 4.540 30 10 CJEE C=CCCCCC[C@@H](O)C1(OCC)CCC(C)(C)CC1 233708740 RGGDJMRYSDZUOE-MRXNPFEDSA-N 282.468 4.859 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(OC(F)F)cc1 234460255 BLUYPTAQZLQSAA-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE Cc1nc2ccc(C#Cc3ccccc3Cl)cc2s1 247938245 FQWUDYAHQMUTFO-UHFFFAOYSA-N 283.783 4.658 30 10 CJEE CCCCCCCCN1C[C@@H](CC(C)C)NC[C@H]1CCC 250821427 LGRWPWPGLUKXSG-RTBURBONSA-N 296.543 4.836 30 10 CJEE Cc1ccsc1C=Nc1ccc(Br)cc1 252461097 KLQCWMXSSNCVSM-UHFFFAOYSA-N 280.190 4.570 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2CC[C@H]1C2 252812199 HFNWQAGBBDZMPH-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE N#C[C@]1(Cc2csc3ccccc23)C[C@H]2CC[C@H]1C2 252831400 YGZMMGMEOXHJCI-RVSPLBMKSA-N 267.397 4.774 30 10 CJEE CCOc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 254627300 INDMKZKTBZEFCY-UHFFFAOYSA-N 267.372 4.959 30 10 CJEE N#CC[C@@H](c1cc(Br)ccc1Cl)C1CC1 260079127 AXEAYGHLQUNMRH-SNVBAGLBSA-N 284.584 4.510 30 10 CJEE N#CCCc1ccc(C2CCCC2)c(Br)c1 260335248 FALJNAULTAXVGV-UHFFFAOYSA-N 278.193 4.563 30 10 CJEE SCCc1csc(-c2ccc(Cl)c(Cl)c2)n1 304642174 SHZSYFLQOUKHTH-UHFFFAOYSA-N 290.240 4.589 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCC(C)(C)C 310578412 LELRONIWPXHDOF-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N[C@H]1CCCC12CCCCC2 312973093 OOLZXNKBHXJJNV-BBWFWOEESA-N 274.452 4.551 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)c2c(F)cccc2Cl)c1 313485496 HSQHXDZBXDAIQE-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CC(C)C1CCC(C=O)(Cc2ccc(Cl)cc2)CC1 316819769 KDWHUVYTUZOCBE-UHFFFAOYSA-N 278.823 4.914 30 10 CJEE CC1CCC(C=O)(Cc2ccc(C(C)(C)C)cc2)CC1 317036328 UGSFPHVEWAKAIT-UHFFFAOYSA-N 272.432 4.922 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2CCC3(CCCCC3)O2)C1 317225365 XLIDVCRHQAAAER-ZACQAIPSSA-N 278.436 4.654 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCCC2CCOCC2)C1 317342472 RRIZTRZSCRRFOT-WMZOPIPTSA-N 280.452 4.759 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)CC1 317950279 YZBKMEGDCKVOEU-HRCADAONSA-N 278.436 4.510 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CCCCC1(F)F 384818930 DTFDHEMQSCLKQA-MCIONIFRSA-N 255.352 4.922 30 10 CJEE CCCCCCCCOCCC(CC)(CC)C(=O)O 395579630 UZWJWCFGWKAFPL-UHFFFAOYSA-N 272.429 4.645 30 10 CJEE CCCCCCCCCCCCNCc1cocn1 397977854 PZWVEEBCNYHSRX-UHFFFAOYSA-N 266.429 4.685 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(F)c1C 398718759 XYCROTFJJGUHKO-INIZCTEOSA-N 251.389 4.755 30 10 CJEE CCC(=CC(=O)C[C@@H](CC)CC(F)(F)F)CC 402301311 PEFJHTVWKMJDFU-LLVKDONJSA-N 250.304 4.671 30 10 CJEE CCCCCCCC[C@H](NC)C1CCC(OC)CC1 686368661 PKJRRGBJVIWDLM-JCYILVPMSA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)C 686691761 RIEJRJBWAOCVCQ-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE C[C@H]1CCCC[C@@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688336348 CNDNBNSTCGQLEN-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@H](C[C@@]1(C)CC1(F)F)NC 689122012 DLJVATLNGGIGQM-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cccc(C)c1C#N 691076891 YIHFGHWYIQBHPU-GDBMZVCRSA-N 256.393 4.638 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1nc2ccccc2s1 692252846 OSSYENLHPBCZGM-KBPBESRZSA-N 286.444 4.521 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc(SC(F)F)cc1 695785396 CZFVZWSEQBGBMG-SNVBAGLBSA-N 284.375 4.742 30 10 CJEE 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259.437 4.625 30 10 CJEE CC#CCCSc1ncc(-c2ccc(Cl)cc2)o1 1188545757 BTEHUHSIWPLVAY-UHFFFAOYSA-N 277.776 4.501 30 10 CJEE C=CCN(C/C=C/c1ccc(F)cc1)Cc1cccs1 1205162557 PMAREGOLNADPKY-HWKANZROSA-N 287.403 4.589 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1206644871 KMIAEOFMOWALER-GBJTYRQASA-N 273.411 4.759 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)CCC=C(C)C)c1 1210299312 GATORDWNGWYDKV-OAHLLOKOSA-N 286.419 4.976 30 10 CJEE C#CCCCCCCSc1ccc2c(c1)OCCCO2 1307248575 QOYVYDFFTXPGRO-UHFFFAOYSA-N 290.428 4.524 30 10 CJEE C=CCCCCCN(C)CCc1ccc(Cl)cc1 1307486388 UZORRRLVMYHDLD-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE C#Cc1ccc(CNC[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 1308237254 MJZVMKOIPSJFRN-RBUKOAKNSA-N 283.459 4.610 30 10 CJEE C=CCCCNCc1ccc(Sc2ccccc2)cc1 1308393712 UGNCTDHTDXZOIN-UHFFFAOYSA-N 283.440 4.894 30 10 CJEE C=CCCCCC[C@@H](C)NC1CC(Nc2ccccc2)C1 1308932247 GJGWCBQCVLYKRT-IPJUCJBFSA-N 286.463 4.744 30 10 CJEE C=C(C)CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1353111524 PLCBUXOYQCZJHS-UHFFFAOYSA-N 277.367 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C[C@@H](Nc1cccc(C#N)c1)c1ccc(F)c(Cl)c1 20078444 FBLQXXUAXJIIDD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC(C)c1cccc(Nc2ccc(C#N)cc2F)c1 36886678 DQDZUJKWVWXKGO-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE N#Cc1sc2ccc(Cl)c(Cl)c2c1Cl 40175342 DAVPWMKQORONLV-UHFFFAOYSA-N 262.548 4.733 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccccc1Cl 51634975 FPICQSMRGFJLGH-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc2cnccc12 62789940 XBCZOZCKFJAOBO-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(Cl)c1 71276539 KJFKNGMFFOLKMU-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CCCOc1cccc(-c2cc(CC#N)c(C(C)C)o2)c1 77079342 SVSRESDZSHCALG-UHFFFAOYSA-N 283.371 4.925 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2ccccc2)CC1 86949113 LKZLUWJALDWIJF-WBVHZDCISA-N 256.393 4.597 30 10 CJEE Cc1cc(OC[C@@H](CS)C(C)C)ccc1C(C)C 94582785 VMRJEIWQTHVLNK-AWEZNQCLSA-N 266.450 4.699 30 10 CJEE CC[C@@H]1CCC[C@@H](OCC(CC)(CC)CS)C1 94585867 YJIXJXWJCYQPGV-ZIAGYGMSSA-N 258.471 4.708 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1cccc(F)c1 94623110 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4.806 30 10 CJEE CCCCCCCCSc1cccc(CO)c1 117379887 UPJAYPRUBDIZAO-UHFFFAOYSA-N 252.423 4.632 30 10 CJEE CCCCCCC[C@@]1(N)CCCc2ccc(OC)cc21 118568356 VYWPNZRDBAXCNZ-GOSISDBHSA-N 275.436 4.546 30 10 CJEE C#CCCC[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 122837299 UUPGIMRYDOULIX-KVMJBUIKSA-N 273.464 4.504 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)CCO[C@@H]1C 125313024 QPFNIYHPOVNAPM-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(c1)CNCC2 125710066 LGUHLZOQCAVSNA-UHFFFAOYSA-N 287.447 4.656 30 10 CJEE CCCCCCCCCCNc1nc(C)ccc1C#N 129760920 IEZLTXUKULBJEN-UHFFFAOYSA-N 273.424 4.814 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](OCC)C(C)(C)C 131963363 QGEUSLLFXDHXBQ-HZPDHXFCSA-N 271.489 4.776 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1ccc(C(C)(C)C)cc1 158965619 FLWZXTOBRXGYHR-FQEVSTJZSA-N 287.491 4.965 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 163908260 FCMUARGYZPOPKZ-FIXISWKDSA-N 296.336 4.814 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(Cl)c1)NCCC 164508058 BQOGZFPQZWLRIM-INIZCTEOSA-N 265.828 4.607 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC 164943820 SVKLSKAUKZIINN-OAGGEKHMSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCOc1c(F)cccc1C[C@@H](C)N 166292825 ZCMBWZZMUDPSFP-OAHLLOKOSA-N 295.442 4.845 30 10 CJEE CCCCCCCCOc1cccc2c1CC/C2=N/O 215136878 WMDFQUWBMCKUKL-VLGSPTGOSA-N 275.392 4.550 30 10 CJEE C=CCOc1ccccc1CNc1c(F)cccc1Cl 225180905 NHZBYAYHIYWZAB-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE CCCCCCCCNc1ccccc1CCOC 229519284 AUNFTLAWCANVKC-UHFFFAOYSA-N 263.425 4.648 30 10 CJEE N#Cc1ccc(Oc2cnc3ccccc3c2)cc1Cl 230215887 HNLBRGDYXBWSSX-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCC(C)(CC)Nc1ccc(C#N)c2ccccc12 230959516 UBSOLGGCINUMQF-UHFFFAOYSA-N 252.361 4.702 30 10 CJEE CC(C)(C#N)CCCCOc1cccc2ccccc12 232521834 DEYWZJNPEZKRBW-UHFFFAOYSA-N 267.372 4.939 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CCCC)[C@H](C)CC 250811479 HRDGECIWWGLDLN-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE CC(CCc1ccc(OC2C[C@H](C)C[C@@H](C)C2)cc1)=NO 252472983 RTGIWGGSSYEONK-ZIAGYGMSSA-N 289.419 4.673 30 10 CJEE C=C(COCCC)[C@@H](NCCC)[C@@H](CCC)CC(C)C 308063681 KDCDOBIQFMZFPK-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCCC1CCC(C#N)(c2ncc(Cl)cc2F)CC1 311359144 QBUAHRPURLKJQK-UHFFFAOYSA-N 280.774 4.626 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C#N)CCc3ccccc3C2)C1 312503103 KQTPAOWDRCJIKV-MNEFBYGVSA-N 267.416 4.902 30 10 CJEE CCC1CCC(C#N)([C@@](O)(CCC(C)C)C2CC2)CC1 312853164 MEZJYPWNXYFCDX-VMWRSERWSA-N 277.452 4.674 30 10 CJEE N#CCc1cccc(Nc2nc3cc(Cl)ccc3s2)c1 313407577 HCOROCFWDAIQLE-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE CC1CCC(C=O)(Cc2ccc(Cl)cc2Cl)CC1 317101947 CCZPHZANSCQAQF-UHFFFAOYSA-N 285.214 4.931 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)CCC[C@@H]1C 319146138 CSCCQLXVTXGMLH-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCCCCCCc1nc2cnc3ccccc3c2[nH]1 381067115 PGEVCIYYRCHWFW-UHFFFAOYSA-N 267.376 4.624 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@]2(CCC[C@@H](CC#N)O2)CC1 382266866 OSNPZZBYKIZFTM-VYDXJSESSA-N 263.425 4.834 30 10 CJEE C[C@H](C[C@]1(C#N)CCc2ccccc21)c1ccccc1 384926590 PUGYDXUADQYWKI-BEFAXECRSA-N 261.368 4.588 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc2sccc2c1 386439594 ONXAKHWWVFDDLG-MRXNPFEDSA-N 285.456 4.992 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cccc(Cl)c1Cl 393798670 KJSYXGUFCNJVNR-MNOVXSKESA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)c(F)c(F)c1F 395599003 AAILEKTUVSRQTC-LLVKDONJSA-N 277.305 4.603 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(N2CCCCC2)cc1 398097476 GBFVCSRFGIKJDR-KRWDZBQOSA-N 286.463 4.511 30 10 CJEE CO[C@@H](CC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 400189598 VTWSFQUQELWDDA-CKDBGZEDSA-N 263.425 4.548 30 10 CJEE CC(C)[C@@H](CS)CSc1nccc2ccccc12 401515616 OJUVDABGHBBPNM-ZDUSSCGKSA-N 277.458 4.529 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 464655957 KVUGKDLGJBWKLQ-AEFFLSMTSA-N 285.431 4.569 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1cccc(C)c1C 466648378 TUNUYRWGLMHVTH-APWZRJJASA-N 299.458 4.959 30 10 CJEE N#CCc1cnc(Cl)c(-c2cc(Cl)cc(Cl)c2)c1 514263904 ZBGFYFVDNKOYLY-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1O 686688162 OJWUHXSAMPKCKE-OTWHNJEPSA-N 270.416 4.515 30 10 CJEE C=CCCC[C@H](NC)C1CC(C)(C)CC(C)(C)C1 688318574 BINOCYBIVWOQFA-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCCC(CS)(CCC)CSc1nccn1CC 689791909 UMUVJGNQAIQGGI-UHFFFAOYSA-N 286.510 4.512 30 10 CJEE C=C(CC)C[C@H](NCC)C(CC)(CC)C(F)(F)F 690218955 TVNLPONJKWQEMH-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(F)c1Cl 690247527 OUTZVERQZOTXFJ-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE CCC(F)(F)C(C)(C)Cn1ccc2cc(C#N)ccc21 690998340 COMXFWLCTBECLJ-UHFFFAOYSA-N 276.330 4.584 30 10 CJEE CN(Cc1cc2cscc2s1)C[C@H](C#N)C(C)(C)C 693881854 VEFLGSUHPCFRHC-LBPRGKRZSA-N 292.473 4.580 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)CNC 695607961 HYXHPJKPSPWEHW-SJORKVTESA-N 271.489 4.514 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1C[C@@H]2C[C@@H]2C1 695884875 WTYWPTIQHSRFIF-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE C=CCCSCCN[C@@H](C)CC(C)(C)c1ccccc1 696087686 ZNXGDBAQFLDCND-INIZCTEOSA-N 291.504 4.642 30 10 CJEE CC[C@H]1CCS/C(=N/CC2CC(C)(C)CC(C)(C)C2)N1 699568473 UNFPMHATJYAXKK-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE CCCCCCCC[C@H](O)C[C@H](C)C(F)(F)F 705484087 IZNMJQUBTGYRTR-RYUDHWBXSA-N 254.336 4.686 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H]3CCC[C@@H]32)c1C#N 707845812 MLCCICKWVUEVSR-DVOMOZLQSA-N 286.444 4.661 30 10 CJEE N#Cc1cc(Cl)ccc1N1CC[C@H](C2CCCCC2)C1 708816722 VZDXVYBIHYMKTK-AWEZNQCLSA-N 288.822 4.618 30 10 CJEE C=CCCCOC[C@@H](NCCC)c1ccc(F)c(Cl)c1 708935399 GSEOPUSBJAAJAA-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCCCCCCCN[C@H](C)[C@]12CCCC[C@H]1C2 709166124 OBVAHINZMQXPDA-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@@H]1C[C@@H](N(C)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 709183397 LHRDXANTYQNDBC-IUODEOHRSA-N 290.838 4.863 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CC(C)(C)OC2(C)C)C1 711320997 HYLBAUDMPUNSAR-CPUCHLNUSA-N 263.425 4.690 30 10 CJEE CCCCCCCCC[C@@H]1[C@@H](NCCC)CCN1CC 712150034 FLVOIFSGBOZWGP-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](C)[C@H](NC)C(CC)(CC)c1ccccc1 715707826 YVSZKQAEYCQAFH-RDJZCZTQSA-N 259.437 4.545 30 10 CJEE C=CC[C@H](C)C(=O)Cc1c(C)cc(C(C)(C)C)cc1C 715738542 IZHZICICQLMDTD-ZDUSSCGKSA-N 272.432 4.925 30 10 CJEE CCSc1cccc(NCCCCC2CC2)c1C#N 716356688 AUQKKXSMNOFNGF-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE C=CCCC(C)(C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 717668338 YXAOXNDPEJJOBV-UHFFFAOYSA-N 282.771 4.713 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 719306053 CJSXHVVUKUITFF-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(Cl)ccc2C)CC1 724550280 VNJQHMHBKJWKEC-MRXNPFEDSA-N 263.812 4.785 30 10 CJEE C=C1CCC(C[C@@H](N)c2csc3c2CCCC3)CC1 724557330 CWBURQJVHUONHG-MRXNPFEDSA-N 275.461 4.763 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2(C(F)F)CC2)CC1 724557383 DGFKWTHBAFLQHD-AWEZNQCLSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@H](CSc2ccccc2F)NC)CC1 724574623 FVBJRZYNTTZVOM-OAHLLOKOSA-N 293.451 4.642 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cccc(F)c2F)CC1 724602586 LNXFJJCYKLYJQR-INIZCTEOSA-N 279.374 4.752 30 10 CJEE N#Cc1cccc2c(F)c(SC(F)(F)F)sc12 725292340 WNNMSGKJQRYGRK-UHFFFAOYSA-N 277.267 4.524 30 10 CJEE CSc1cc(CC#N)c2scc(C(F)F)c2c1 725295713 DHYSLMJLJLGOHC-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C[C@H](CCC1CCCC1)Nc1ccccc1O[C@H](C)C#N 780746382 NTAWTRNKJZOYGO-HUUCEWRRSA-N 286.419 4.748 30 10 CJEE Sc1ccccc1N=Cc1cccn1-c1ccccc1 1084352242 CPWWCUAWQLSEDC-UHFFFAOYSA-N 278.380 4.517 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 1145005831 YBAOBZFFURWOCV-BJZITVGISA-N 299.458 4.945 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(SC(F)F)cc1 1181315000 JDFGVCXUIZPHOL-CYBMUJFWSA-N 283.387 4.542 30 10 CJEE C=CC1(CC(=O)Nc2ccc(F)c(F)c2F)CCCCC1 1264217269 IGDGYFJJNTWXAG-UHFFFAOYSA-N 297.320 4.569 30 10 CJEE C=CCCCC(=O)Nc1ccc(CCC(C)C)cc1 1357437258 AMNDVHMJLNBOMF-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H]2CCCCC2(C)C)CCCC1(C)C 1436083452 HUGANJGAOIRYLO-JKSUJKDBSA-N 291.479 4.796 30 10 CJEE C=C(C)CCN1CCC[C@H]1[C@H](CC)c1ccccc1 1459676542 XLXOQTVLBKNSQY-MSOLQXFVSA-N 257.421 4.611 30 10 CJEE C#C[C@H]1CCCN(Cc2ccc(C(C)C)cc2C(C)C)C1 1460308252 HRRMCEGZOOBUGT-KRWDZBQOSA-N 283.459 4.779 30 10 CJEE C#CCN(Cc1ccc(C2CCCCC2)cc1)C(C)C 1460819489 VZZMDZGABABZDO-UHFFFAOYSA-N 269.432 4.578 30 10 CJEE C#C[C@](C)(CC)NCc1c(OC(C)C)ccc2ccccc12 1473488839 SPFYONGIMVCYLP-HXUWFJFHSA-N 295.426 4.519 30 10 CJEE C=CCCc1ccccc1NC(=O)CCCC(C)C 1524348937 VMNUVMSYDQRANM-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C#CCCN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1559977234 PJYQRACZPDKTKL-SJORKVTESA-N 293.410 4.501 30 10 CJEE C=CCC[C@H](N[C@H]1CC[C@H](C)SC1)c1ccccc1 1560405475 CRVMECHRGCQAMN-XIRDDKMYSA-N 275.461 4.568 30 10 CJEE C=C[C@@H](OC(=O)c1cc2c(s1)CCCC2)c1ccccc1 1586194356 ICDXKTBPPDXCBV-OAHLLOKOSA-N 298.407 4.711 30 10 CJEE C#CCCCCCC(=O)O[C@@H](C)c1ccc(Cl)cc1 1596758075 XTCPROGIZUXSOW-ZDUSSCGKSA-N 278.779 4.528 30 10 CJEE CCc1ccccc1C#Cc1ccccc1C(F)(F)F 1614730863 NUCUYOZSBKHOEF-UHFFFAOYSA-N 274.285 4.668 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc([C@H](C)CC)cc1 1618326106 XAZWAHBZPIONPY-CRAIPNDOSA-N 285.431 4.771 30 10 CJEE C=CCCCC[C@H](C)NCc1c(C)oc2ccccc12 1621229402 CMBNSCDYQYDLAX-AWEZNQCLSA-N 271.404 4.966 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc2c1CCCC2 1622814932 ZHNIUNQOHINKNX-MRXNPFEDSA-N 298.430 4.528 30 10 CJEE C=CCCC[C@@H](NC(=O)C1CC(C)(C)C1)c1ccccc1 1625196848 JUQCGWAHTWFIMH-QGZVFWFLSA-N 285.431 4.636 30 10 CJEE CC(C)CC[C@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 1642214207 BFHVAGCNSHTWAW-ZYHUDNBSSA-N 297.855 4.685 30 10 CJEE C=CCn1c(SCc2cccc(F)c2)nc2ccccc21 1643389131 RUOSPZCUJILYRI-UHFFFAOYSA-N 298.386 4.654 30 10 CJEE C=CCCCCSc1nccn1-c1cccc(C)c1C 1643604706 POAYBQKEEWHDSS-UHFFFAOYSA-N 286.444 4.938 30 10 CJEE CC[C@H]1CCCC[C@@H]1N(C)CCC1(C#N)CCCCC1 1645302863 CBGQZHFDUQFTGQ-IRXDYDNUSA-N 276.468 4.751 30 10 CJEE C=CCOc1cccc(CNCC[C@@H](C)CC(C)(C)C)c1 1657792663 WSYNWHOARVAQDH-MRXNPFEDSA-N 289.463 4.803 30 10 CJEE C=CC[C@H]1N(Cc2ccc3c(c2)CCCO3)CCCC1(C)C 1659622474 UEVMSLUDTZLYSC-LJQANCHMSA-N 299.458 4.578 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)CCCC(C)C 1660014493 JYCSHQRCYHSFDN-PKOBYXMFSA-N 273.464 4.978 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1664483379 JGNLOWKRVWLZMM-SWLSCSKDSA-N 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C=CCCCN(C)c1c(Cl)cccc1CN[C@H](C)CC 2240039872 KFIXLWBGEZSDNX-CQSZACIVSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@@H](C)N(CC)C1CCC(N)CC1 2240571495 DCGPVIXXKKLHMH-WWDZGPRUSA-N 282.516 4.717 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1N(C)C 2240639936 KYUVDPAGLUMODJ-KSZLIROESA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)c1csc(C)c1 2240667652 YJPBJHAVQGJZDG-SJORKVTESA-N 297.508 4.819 30 10 CJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CC)CCC 2242039574 HNDDSWGOWBZCMZ-MOPGFXCFSA-N 289.463 4.564 30 10 CJEE C=CCCSc1c(CNC(C)C)sc(C)c1C 2250022573 YDOSUQGRNLFEIK-UHFFFAOYSA-N 269.479 4.531 30 10 CJEE CCc1ccsc1[C@H](C#N)Nc1ccc(Cl)cc1 2255974734 PPBRREBYTMEPLX-ZDUSSCGKSA-N 276.792 4.641 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](N)[C@H]1CC 2259063476 ZIYVKJJGMMITGU-BZUAXINKSA-N 269.498 4.762 30 10 CJEE C=C(C)CCCCNCCc1ccc(Cl)c(Cl)c1 2259194031 HZCAKSLVWVHZGN-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cncc(Cl)c1 2259234271 ZSTIXGRZRKVMPT-OAHLLOKOSA-N 266.816 4.522 30 10 CJEE 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4.704 30 10 CJEE CCN[C@@H]1CC[C@H](CC)C[C@@H]1CC=CC#CC(C)(C)C 2284091488 XXJCFMVNFHSEDY-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CC[C@H]1CC1(C)C 2284164557 MGFSBNBKRSTCHW-DLBZAZTESA-N 275.480 4.787 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CN(C)CC=CC#CC(C)(C)C 2284183981 ZORVUYVQZGOLBY-ZWKOTPCHSA-N 275.480 4.596 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1ncc(C#N)cc1Cl 2284890267 GUQHNHSXBMZECE-CYBMUJFWSA-N 294.826 4.838 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCCCCCCCCCO)C1 2286818769 JZFLTQSXZMOSES-ZWKOTPCHSA-N 282.468 4.885 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@H](C)C1(C)C 2286848025 FVNVVPRIROHBOW-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C)ncc1C 2287408740 MDKPXWURPRZURN-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=C(C)CCCCOc1ccccc1[C@H](CC)NCC 2287409163 QUSKTBLQPNEPJX-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE CN(C[C@]12CCCC[C@@H]1CC2)c1cc(Cl)ccc1C#N 2289069169 JQMCGSLQSCVIHV-RHSMWYFYSA-N 288.822 4.618 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1cc(C)sc1C 2289615676 HLRGBKRONOBDHO-GOSISDBHSA-N 289.488 4.989 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(C(F)F)cs1 2289618112 YGGACTSERJHARL-CQSZACIVSA-N 297.414 4.920 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1CCC[C@H](C)CC1 2289700102 JDVFDOQTNSSIHD-YTQUADARSA-N 275.480 4.765 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@H]1CCCC(C)(C)CC1 2289705464 MPXUQVYUTVPIGJ-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1C[C@H](C)C[C@@H](C)C1 2289709166 HISPRSILVHTTRG-GPMSIDNRSA-N 275.480 4.621 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(F)ccc1Cl 2289787431 OQOAKPWMWVPKBP-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CC(C)C[C@H]1CSC(=NCC2CC(CC(C)(C)C)C2)N1 2290035513 YIJKLYXSRUHNHS-NRXISQOPSA-N 296.524 4.556 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)[C@H]1CCC1(C)C 2290902665 JESQAQSJUQKSJW-WMLDXEAASA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1=CC[C@@H](C)CC1 2293281926 XOIDCHTWBGMPPC-SJLPKXTDSA-N 281.484 4.827 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)o1 2294300173 ZQBPINLHHFEZII-UHFFFAOYSA-N 281.138 4.791 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CCC)CCO 2295676659 NBKBFQXBAIALRC-ROUUACIJSA-N 285.516 4.904 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1coc(CC)n1 2295681017 CFRKWNMOGXHLBS-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ccncc1 2295687383 TVVOAHVKLXPWBG-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@](C)(O)c1cccc(OCF)c1 2295846261 RXWZCMBSNBBBKG-KRWDZBQOSA-N 282.399 4.951 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(Cl)cc1N 2298895853 KJFQOJJFHJOGER-UHFFFAOYSA-N 267.825 4.844 30 10 CJEE CCN[C@H](C#CC1CCC1)c1cc(Cl)sc1Cl 2300405236 HCUQSQXUUKLLCU-LLVKDONJSA-N 288.243 4.509 30 10 CJEE C=C[C@@](N)(c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2307640198 MARCWTROLKWAJU-CQSZACIVSA-N 272.219 4.688 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@@H]1CF)NCCC 2310951198 BHTPCRBHEIQFIO-XHSDSOJGSA-N 257.437 4.711 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(Cl)cc1F 2316737752 AGBNIHYGEDJFAP-HNNXBMFYSA-N 267.775 4.508 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2316781476 AGEYQRONEHAEDU-CAOSSQGBSA-N 269.860 4.714 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1 2321095590 KEOFQWXTNZJFPD-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1(C(C)(F)F)CCC1 2321218926 CTNUESAYZRYJJU-OLZOCXBDSA-N 260.368 4.555 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@H]2C[C@@H](F)C2)CC1 2327349034 SPPYFFSAXMDTDN-RGFKMBGESA-N 254.389 4.546 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C(CC2CC2)CC2CC2)C1 2335220699 COJTVEFQNWCSSI-KBXCAEBGSA-N 262.437 4.988 30 10 CJEE CCCN[C@H](C#CC1CCC1)[C@@H](CCC)CC(C)C 2337541356 NEWPZANHUZOOAZ-ZWKOTPCHSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)[C@H](Cc1ccc(Cl)cc1Cl)NC 2338739546 WTMISQDYFYBLRA-INIZCTEOSA-N 298.257 4.892 30 10 CJEE C=CCC(CC=C)[C@]1(CNC)CCCCC12CCC2 2338744641 PPNVMEUGARODAQ-GOSISDBHSA-N 261.453 4.705 30 10 CJEE C=CCC(CC=C)[C@H](Cc1cccc(Cl)c1Cl)NC 2338749404 JKGRQZIFSFXFGT-HNNXBMFYSA-N 298.257 4.892 30 10 CJEE C=CCCCCCCO[C@@H](CCNC)c1cccs1 2340644410 QSNRFCFDOLRSRY-HNNXBMFYSA-N 281.465 4.552 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC2(C1)CC(C)(C)C2)NC 2344345442 WMFLMJROCDZTGQ-OAHLLOKOSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344475176 GFALGCLCCGXACS-RPUYLAQPSA-N 264.453 4.802 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)C1CC2(CCCC2)C1 2352083647 RVBYOPVMQBZETM-MRXNPFEDSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@](C)(CS)Cn1nc(Cl)c2ccccc21 2352094758 DMKHFHZFYHSYFE-HNNXBMFYSA-N 296.867 4.672 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](N(C)C[C@](C)(CS)C(C)(C)C)C1 2352313491 HDAFAIJAYFISHE-WBTNSWJXSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NC 2352789948 HCAZAMSWFMLVJP-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CCCCCCCCCCCOC[C@H](O)[C@@H]1C[C@@H]1C 2353363710 FTCBRWBGLUXZJF-BBWFWOEESA-N 270.457 4.551 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2357695647 XKGRPUZGKYBQGM-LULLPPNCSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359104551 RZWBJDVOMMCBDA-SOLBZPMBSA-N 280.452 4.901 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1CC[C@H]2C[C@@H]1CO2 2359118169 REFKYSPJDVLFHJ-MHORFTMASA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)Oc1sc(CN[C@@H](C)CC)cc1C 2360215513 WUXHVRNXCDDZHU-AWEZNQCLSA-N 293.476 4.844 30 10 CJEE c1ccc(Oc2ccccc2/N=C2\CCCCCN2)cc1 2638212 LGSZIEOVWFPJOG-UHFFFAOYSA-N 280.371 4.673 30 10 CJEE N#CCc1c(-c2cccs2)[nH]c2ccc(Cl)cc12 19725638 CTUKRTLFWGKWGP-UHFFFAOYSA-N 272.760 4.616 30 10 CJEE Cc1ccc([C@H](C#N)c2cc(C)nc3ccccc23)cc1 26440621 PXEBYUDCJTZCCG-SFHVURJKSA-N 272.351 4.507 30 10 CJEE CCCN(CCC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37145883 VHPRXFWUXKFIJS-IPMKNSEASA-N 284.447 4.584 30 10 CJEE Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 39842339 GIVPESPPSNNKCV-WQRHYEAKSA-N 278.351 4.735 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2OC)C1 41030607 RLCHOESOOAGARD-HEHGZKQESA-N 275.417 4.506 30 10 CJEE C[C@H](NCc1ccc(C#N)cc1)c1cccc2ccccc12 52661275 MUKCHFXYFMJTFY-HNNXBMFYSA-N 286.378 4.562 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc2cccnc12 52859501 MXEPTQHCIDPJRX-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1CN 59095605 AMQVHPZNVXHGCI-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE N/C(=N/c1ccc(Cl)cc1C(F)(F)F)C1CCCC1 62988788 IBKZIGGYFIOXTN-UHFFFAOYSA-N 290.716 4.538 30 10 CJEE Cc1sc(-c2ccc3c(c2)CCCC3)cc1CC#N 77093838 JPOZSIFBLZBPQF-UHFFFAOYSA-N 267.397 4.668 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 80458569 VLHVBZQKFWWTID-OLZOCXBDSA-N 292.448 4.515 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897411 BMDMDTGUFAIRDG-JSGCOSHPSA-N 276.811 4.982 30 10 CJEE CCC[C@H](CS)CSc1cccc(Cl)c1 87097846 DBPSTQSNCJHFBE-SNVBAGLBSA-N 260.855 4.778 30 10 CJEE CCCCOCCC1(C#N)CCC(C(C)(C)C)CC1 87971972 PEUGUSADNDOHIO-UHFFFAOYSA-N 265.441 4.939 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87996710 OJOCPWQYTFDVGJ-IAQYHMDHSA-N 292.766 4.511 30 10 CJEE N#C[C@@H](CNc1ccc2sccc2c1)c1ccccc1 88120580 XXFPNEOTPNFAQK-HNNXBMFYSA-N 278.380 4.621 30 10 CJEE CC(C)c1cccc(C(C)C)c1OC/C=C/CS 94585538 UEPCYTRZOUNSSE-AATRIKPKSA-N 264.434 4.798 30 10 CJEE SCC1(COc2ccc3c(c2)CCCC3)CCCCC1 94585741 YPBZJAASUXJKQE-UHFFFAOYSA-N 290.472 4.825 30 10 CJEE CC(=O)/C=C(/C)Nc1cccc2[nH]c(-c3ccccc3)cc12 102782955 LTVYGZNXXTUWQT-QBFSEMIESA-N 290.366 4.740 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2c(C)cccc2C)c1 103030910 HRGHPOGVLQBIPF-KHPPLWFESA-N 279.383 4.729 30 10 CJEE CCCCCCCOc1ccc(CC2CCNCC2)cc1 106150068 HQZUEXJFQRBYMF-UHFFFAOYSA-N 289.463 4.578 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(C(F)(F)F)ccc1OC 107474208 MXLBBSVNRIFQLY-NWDGAFQWSA-N 284.321 4.867 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(C)cc1Br 107497901 OAAWKQBXDKRTSC-RYUDHWBXSA-N 265.194 4.520 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1[C@@H](C)CCS 107655668 GHTJCXNSJHRYSW-QMMMGPOBSA-N 279.232 4.816 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)Cc1ccccc1 109961747 FXMVCUJZSABXJY-IAGOWNOFSA-N 261.453 4.956 30 10 CJEE CCCCCCCCO[C@H]([C@H](N)CC)C(C)(C)C 109989026 DNVWMCCXMHJDMV-HUUCEWRRSA-N 257.462 4.516 30 10 CJEE Cc1ccc(Sc2cc(C)ccc2C#N)c(C)c1 110354062 XMIKYCGEDHNYIX-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCCn1cc(CCCN)c2ccccc21 112930508 CZRFUFBKSHRWNE-UHFFFAOYSA-N 286.463 4.893 30 10 CJEE CCCCCCCCCC1(c2cccc(F)c2)CNC1 118886014 KQAFYMCTYCLMLU-UHFFFAOYSA-N 277.427 4.807 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1ccoc1 123146015 GEPXFQDUIUNRPC-INIZCTEOSA-N 266.429 4.705 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(F)ccc(C)c1F 125753827 BHXUKSBMBRKYSZ-AWEZNQCLSA-N 267.363 4.670 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@]1(C)CCCCO1 127567227 YZTHXWJNJZQFQK-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(F)(F)Cl 130490210 VLSHUIRCBGGHJB-ZDUSSCGKSA-N 298.849 4.961 30 10 CJEE CCCCCCC[C@@H](Cc1cc(C)ccc1OC)NCC 133397025 OEJDFKZUNQFYFH-SFHVURJKSA-N 291.479 4.885 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(C)nc1C 135353491 SULBTMYSFNYLNM-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE CCCCCCCC[C@H](CCc1ccco1)NC 140333505 UPDBDRCNGGDEPJ-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE COc1ccc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)cc1 150292986 WSZFRUZPNBXHAY-HNNXBMFYSA-N 272.388 4.651 30 10 CJEE CCC[C@](O)(c1ccccc1)C1(C#N)CCCCCCC1 156792977 PBHNOYXZBOKJIO-IBGZPJMESA-N 285.431 4.929 30 10 CJEE CCCCCCC[C@@H](N)Cc1c(C)cc(C)cc1C 157032699 VRPHTKZHFZHLFK-QGZVFWFLSA-N 261.453 4.842 30 10 CJEE Cc1cc(Nc2c(Cl)cccc2Cl)c(C#N)c(C)n1 157450625 APMDLNKXWMDYFX-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](OC)C(C)(C)C 159808162 MAYBOGNEGHIWIW-HZPDHXFCSA-N 271.489 4.776 30 10 CJEE C=CC[C@@H](C)NCc1cccc(Oc2ccccc2)c1 162610330 VARALJOBNRWGAH-OAHLLOKOSA-N 267.372 4.533 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)cc1F 164396106 LQQVWYGAWKIZIQ-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCCCNC1=N[C@H](C)[C@H](C)CS1 165798604 CSDUYDPXQYCXCO-HUUCEWRRSA-N 284.513 4.844 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)o1 210965658 MMXNQARFOJZULO-FLIBITNWSA-N 268.356 4.782 30 10 CJEE CC(C)c1ccc([C@H](C#N)N(C)Cc2ccccc2)cc1 211519452 KFNTYMUIQQNLFK-IBGZPJMESA-N 278.399 4.507 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(N(C)C)CCC[C@@H](C)C1 218128165 ZBVCWCGLRRYWDY-QYZOEREBSA-N 296.543 4.836 30 10 CJEE N#Cc1cc(F)cc(Oc2cccc3ccccc23)c1 227634027 LUMKXKLMYXFMJK-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE CCCC[C@H](CC)CNc1ccc(C#N)cc1Cl 233041688 QQLZHRCDPHLXAC-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)C[C@H]1CN 250830099 QLNZGLVWIQWREF-OALUTQOASA-N 296.543 4.967 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC 251224096 NWWRYWVORQAKSR-XHSDSOJGSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1O[C@H]1C[C@H](C)c1ccc(Cl)c(Cl)c1 251485723 COUCJKKTZYINDY-HJIKLVIJSA-N 259.176 4.664 30 10 CJEE O=C(/C=C\c1cnc(C2CCCC2)s1)c1ccsc1 255569225 MLVFQLZXOIGWSV-WAYWQWQTSA-N 289.425 4.758 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCC[C@H](C(F)(F)F)C1 300257025 KSRNZDDKDYTVJW-RDBSUJKOSA-N 277.374 4.819 30 10 CJEE N#CC1([C@@H]2CCO[C@@]3(CCSC3)C2)CCCCCCC1 312451197 CNJLSBGJVAFFIB-WBVHZDCISA-N 293.476 4.543 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H]2CCCCC[C@@H]2O)CC1 312640209 ZQTYICHYBZLQHF-LPMVOBIJSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCC[C@@H](Cc1csnn1)NC 312680489 ZNOAHNBZYWNPRG-HNNXBMFYSA-N 297.512 4.590 30 10 CJEE C=C(CC)CN[C@H](c1ccco1)c1ccc(Cl)s1 313497654 FIQNFZRJNMLONA-CQSZACIVSA-N 281.808 4.640 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CCCC2(F)F)CC1 317278926 STLPAZGVJBYFCD-SLTAFYQDSA-N 272.379 4.843 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317624994 VOHQFFMJONKDPB-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE C[C@@H]1C[C@](C#N)(Nc2cccc(Cl)c2)c2ccccc21 380318142 MYPOEJZRPOJMEU-SJKOYZFVSA-N 282.774 4.678 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CC1 380958360 BTSXYNXTTKDAMI-JYJNAYRXSA-N 275.436 4.834 30 10 CJEE CCCCCCCCCCCCN1CCCNC[C@H]1C 382756357 ORILQTWMVKTKBV-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C[C@@H](c1ccccc1)N(C)CC1(CS)CCCCC1 383600511 BFWLYKHWIXMAON-HNNXBMFYSA-N 277.477 4.560 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)c1ccnc2cc(Cl)ccc12 385065839 VFJJCEBMMBPLII-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)c1ccnc2cc(Cl)ccc12 385065867 VFJJCEBMMBPLII-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE CCCCCCC[C@@H]1[C@@H](C(C)C)C(=O)N1[Si](C)(C)C 385210070 PLTAZDALELRBAI-HUUCEWRRSA-N 283.532 4.665 30 10 CJEE CCCN([C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N)C(C)(C)C 386915412 HZKIYFZZXAFJEF-HRCADAONSA-N 278.484 4.851 30 10 CJEE C=C(COCC)[C@@H](NCCC)C1CCC(CCC)CC1 387469919 SGOLKCPHUJTBGY-DAWZGUTISA-N 281.484 4.554 30 10 CJEE CC(C)(C)C[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 394987615 ADELZCAYDNJJRD-ZCDVPAHGSA-N 279.468 4.920 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CC#N)C1 397875608 YUBBTTBVUMKOTL-QGZVFWFLSA-N 264.457 4.753 30 10 CJEE CCCCCCC[C@@H](CCCOCC(F)(F)F)NCC 400634830 LZINRVYGYUMRMT-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(F)c(C)c1 410368812 CAWIPDZIFHAOSR-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE N#CCc1c(F)cccc1-c1cc(Cl)cc(Cl)c1 514261884 KDGHMNYPIJNMPP-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCN(C(=O)CC/C=C/c1ccccc1)c1ccccc1 606168670 KCWDZCPCFQKPCD-UKTHLTGXSA-N 291.394 4.699 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CCCC)[C@H](C)c1ccc(C)o1 680996820 UFFKXZCATDBQMS-GOEBONIOSA-N 291.435 4.880 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1CCCC1(C)C 686695477 KFCQCUONOBWLTM-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](O)c1cncc(OC)c1C 687652317 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SQTSOTMGZHOBMQ-ZDUSSCGKSA-N 277.477 4.880 30 10 CJEE CCCCCCCN[C@H]1CC(C)(C)Oc2ccccc21 703717824 PNIGOESTIBGYTM-INIZCTEOSA-N 275.436 4.849 30 10 CJEE CCCCCCC[C@@H](N)CC1(c2ccccc2)CC1 703752617 IAADURKEMHWPCL-QGZVFWFLSA-N 259.437 4.796 30 10 CJEE CCCCCCCC[C@H]1CCCN[C@H]1C(F)(F)F 706728039 NVWHETKCHNUOKP-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(Br)c1 711191144 NTLWNEOZVOOOMH-UHFFFAOYSA-N 279.177 4.522 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21 714408909 FWNRBHAEBPPJAK-TVFCKZIOSA-N 261.453 4.504 30 10 CJEE CCC(=CC(=O)c1ccc(F)c2ccccc12)CC 714948599 CNTPUWSHXUWWGA-UHFFFAOYSA-N 256.320 4.908 30 10 CJEE C=CC[C@H](C)Nc1ccc(Br)c2ccccc12 715038638 JUDDIQHWKRCDSS-NSHDSACASA-N 290.204 4.979 30 10 CJEE C=CC[C@H](C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC 715811652 AUJVJSWGWMHMCX-QKPAOTATSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC1(N)CC(OCc2ccccc2)C1 716248065 SVMBANLNJOHHHN-UHFFFAOYSA-N 289.463 4.814 30 10 CJEE Cc1nc(N[C@H]2CC(C)(C)CC[C@@H]2C)c(Cl)cc1C#N 717429588 BZFOKTBDYKYXKL-HZMBPMFUSA-N 291.826 4.542 30 10 CJEE CC(F)(F)CCC[C@]1(C#N)CCc2ccccc2C1 718635315 KIICDCUNWCXTEV-INIZCTEOSA-N 263.331 4.511 30 10 CJEE CCCCCCCCC[C@H](CCc1ccns1)NC 719826815 GDTRXASSBCDLAJ-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE C=C1CCC(C[C@H](O)CSc2ccc(Cl)cc2)CC1 724555277 FVJSVSAZTNUWBW-HNNXBMFYSA-N 296.863 4.930 30 10 CJEE C=C1CCC(C[C@H](CC2CCSCC2)NCC)CC1 724597468 YNKVPQSMSVMUDG-QGZVFWFLSA-N 281.509 4.634 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCCC2(F)F)NCC)CC1 724607792 QVJOCUWYCVSHIP-HZPDHXFCSA-N 285.422 4.927 30 10 CJEE CC(C)CC[C@H](C)/N=C1/N[C@@H](C2CCCCC2)CCS1 725110245 ZWGFKXKJTMKXGT-GOEBONIOSA-N 296.524 4.843 30 10 CJEE C=CCOc1ccc(CN[C@](C)(CC)c2ccccc2)cc1 730817731 STVUUCJESSCONP-HXUWFJFHSA-N 295.426 4.666 30 10 CJEE C=CCO/N=C(/c1ccc(-c2ccccc2)cc1)C1CC1 821229336 IVZINEBUJHIKNF-VXPUYCOJSA-N 277.367 4.670 30 10 CJEE Cc1ccccc1CO/N=C(/c1ccc(Cl)cc1)C1CC1 821229784 PBYSTZNKMYRDJO-CZIZESTLSA-N 299.801 4.979 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1C2 822079908 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C=CCCCCCCCNC(=O)N[C@H](C)CC(C)(C)C 1251702791 KQBPXCNKUJRBBH-OAHLLOKOSA-N 282.472 4.637 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1cc(Cl)sc1Cl 1272498074 AVNLEHQTKFWNEY-GFCCVEGCSA-N 293.215 4.700 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(CCC(F)(F)F)c1 1294915752 LHJFRKLVTZKWMQ-UHFFFAOYSA-N 299.336 4.722 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCC(F)(F)C1 1307741944 MYZIJJBJLMTRNF-INIZCTEOSA-N 279.374 4.500 30 10 CJEE C#CC[C@@H](NCC1CCC(CCC)CC1)c1ccccc1 1308335007 CWURKPKSGFQGSW-AFMYVXGZSA-N 283.459 4.947 30 10 CJEE C#CC[C@H](NCC1CCC(CCC)CC1)c1ccccc1 1308335008 CWURKPKSGFQGSW-QLOJAFMTSA-N 283.459 4.947 30 10 CJEE C#Cc1ccc(NCc2csc(C)c2C)c(Cl)c1 1308538040 JZTGZKPXDPNCRF-UHFFFAOYSA-N 275.804 4.612 30 10 CJEE C#CCC1(NC(=O)Nc2cccc(C(C)C)c2)CCCCC1 1310033719 YFWOAFZUPBZFHI-UHFFFAOYSA-N 298.430 4.658 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)CCCC(C)C)c1ccccc1 1350054012 PSHJUQRSAZASLU-IRXDYDNUSA-N 287.447 4.677 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1CCC(C)C 1351710962 IOBVTSMQFJTMMY-OAHLLOKOSA-N 273.420 4.816 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@H](CC)CC1)c1ccccc1 1360114480 MVKNUICXZINSAE-HKUYNNGSSA-N 299.458 4.775 30 10 CJEE C=C1CCC(C(=O)N2CCCCC23CCCCCC3)CC1 1440147535 KGGJLQGLAFBUHQ-UHFFFAOYSA-N 289.463 4.838 30 10 CJEE Cc1ccc(C)c([C@H](C)NCCC2(C#N)CCCCC2)c1 1459887923 DRVBXTQATAFMOJ-KRWDZBQOSA-N 284.447 4.818 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 1462170615 OVTGBWPYSTZKKG-OWSLCNJRSA-N 296.458 4.832 30 10 CJEE C#CCCCCCCN1CCCCCc2ccccc21 1473244144 IHCQNNZCQZAICA-UHFFFAOYSA-N 269.432 4.803 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)CCC(C)C)c1ccccc1 1517236199 QRVFTNVTBQJUBB-GOSISDBHSA-N 287.447 4.631 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(CCC(C)C)cc1 1528812132 UOYYDONOKJHMRQ-UHFFFAOYSA-N 285.431 4.982 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(SC)c1 1528998743 LNGAJWBROGIZTH-UHFFFAOYSA-N 295.835 4.769 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCc1ccc(C2CCCCC2)cc1 1544241475 UEDFAUYHDTXCDE-FQEVSTJZSA-N 299.458 4.953 30 10 CJEE C=CC[C@@H]1CCCN(Cc2nc(C)c(C(C)(C)C)s2)C1 1559983012 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KOIIZOXBJZTRET-QZTJIDSGSA-N 275.480 4.929 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccccc1C1CCC1 2203750372 CSYDMVHTKJOYSI-LJQANCHMSA-N 270.416 4.961 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 2203789836 FQNNVHMOOCYQAL-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@H](NC)C1CC2(C1)CC1(CCC1)C2 2203819342 MMGMQCMRQPALNR-KRWDZBQOSA-N 273.464 4.519 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(C(C)(C)C)ccn1 2206889623 BUDBMRNWXKJZAS-MRXNPFEDSA-N 274.452 4.906 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1cccc(F)c1Cl 2206893860 DTLJHRMJLHECCJ-INIZCTEOSA-N 298.785 4.608 30 10 CJEE C=CCCCCCC[C@H](O)c1cccc(OC(F)F)c1 2206897629 CHIVZGGTPVWLDM-HNNXBMFYSA-N 284.346 4.848 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)C1CC=CC1 2207374357 BHTHYTKLGZESBY-GOSISDBHSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CC[C@H](CC)O1 2207377053 ZCPZDASALSFTIO-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCC(=O)c1cnn(CC)c1 2207381966 MYGIBSOVKFHBLK-UHFFFAOYSA-N 276.424 4.783 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCc2cccnc21 2207389643 FGYQPABBGFCIOK-GOSISDBHSA-N 273.420 4.522 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@H](CN)C(C)C 2207404407 NJUUMQBOYAWSFC-QGZVFWFLSA-N 281.484 4.873 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]12CCC[C@H]1OCC2 2207425039 MBRDYJXUNQOKLD-MSOLQXFVSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CCCCC[C@@H]1O 2207427792 QBIRKPJQBIFZFQ-MSOLQXFVSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1ccsc1C 2207437626 OXQCCCGWMUQUBU-SJORKVTESA-N 295.492 4.724 30 10 CJEE CCCCCCCCCNc1cc(C(N)=O)ccc1Cl 2207445235 ADVKLDMQUNPIAL-UHFFFAOYSA-N 296.842 4.601 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC1(C(C)C)CCC1 2207452887 IJHBDPYKEXPQJY-INIZCTEOSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](Nc1cccc(Cl)c1)C(=O)O 2207466109 AXAKEICASHAAMJ-HNNXBMFYSA-N 297.826 4.956 30 10 CJEE N#CC1(CSCCCCC2CC2)CCCCC1 2214557871 WANGRFGMKOWYOD-UHFFFAOYSA-N 251.439 4.774 30 10 CJEE C=CCCCCCCCCCNCCSC(F)F 2217605134 YOJRBAKBPVITER-UHFFFAOYSA-N 279.440 4.839 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2cc(Cl)c(C)cc21 2221255853 ISBHTBFTVUSLRN-SNVBAGLBSA-N 280.824 4.814 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1cccc(C#N)c1 2226055130 ZMADXIILLCVBBZ-KRWDZBQOSA-N 259.393 4.932 30 10 CJEE C=CCCCCCCC[C@]1(N)CS[C@@H](C(F)(F)F)C1 2227271356 KYXNKCDGRYEGCH-CHWSQXEVSA-N 295.414 4.668 30 10 CJEE C=CCCCCCCC[C@@H](O)C1C[C@@H]2CC[C@H](C1)S2 2227273757 SNEBQARFQPGKKZ-NPYXIHBLSA-N 282.493 4.938 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(C)c(C)n1 2227277190 WUQNVVLVINMSLG-MRXNPFEDSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCCCCN1CC[C@H]2C[C@]2(F)C1 2230345003 OEWWTORTVKZIOP-IRXDYDNUSA-N 267.432 4.727 30 10 CJEE C=CC1(CNC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 2230663842 UOACBZLHESDINN-IKGGRYGDSA-N 261.453 4.539 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](N)C[C@@H](CC)C1 2230980618 DQJWYYFZKJFYLW-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=C(C)CCOc1c(Cl)cccc1CN[C@@H](C)CC 2231568138 WXTSKMLASMZTNK-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CC(C)(CC(F)F)C(=O)CCCC(F)(F)C(F)(F)F 2231722591 SKRFPILBUCCDDA-UHFFFAOYSA-N 296.226 4.605 30 10 CJEE CCCCCCCC[C@H](C)NCc1cnc(CC)s1 2231928999 NCUQJQORYIRPRQ-AWEZNQCLSA-N 282.497 4.934 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1COCC[C@H]1CC 2231929823 NORYEIWVCDUDJF-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=C(CN1CCC[C@@H](CC=C(C)C)C1)c1ccccc1 2233269161 SRNKIGREOXANMF-SFHVURJKSA-N 269.432 4.768 30 10 CJEE CC(C)=CC[C@H]1CCCN(CC2(C#N)CCCCC2)C1 2233293831 CRIICEKBKADFQH-QGZVFWFLSA-N 274.452 4.529 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2OC[C@H]3CCCC[C@@H]32)CC1 2233395616 VZVPKNPSORSHEG-FQBRJNOBSA-N 275.436 4.692 30 10 CJEE C=C([C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2)C(F)(F)F 2233636970 SITDFDSMWMWYQG-KCQAQPDRSA-N 289.385 4.690 30 10 CJEE CC1(C)OCCC[C@]1(C#N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233719630 MGGKXUTZBASIAG-MUQADHOPSA-N 275.436 4.692 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)ccc1COC 2233929963 HMYJGXMIVDWOSO-QGZVFWFLSA-N 281.415 4.723 30 10 CJEE C=CCCCCCCCCOCCC(OCC)OCC 2234060541 ZCQWDQIIGUMRCI-UHFFFAOYSA-N 286.456 4.709 30 10 CJEE C=C(CNC(C)(C)C)CO[C@](C)(CC)CCCC(C)C 2234432157 OEIKLZXYBHWYDS-GOSISDBHSA-N 283.500 4.942 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)CCC[C@@H](C)O1 2235178171 CKGOMFOLKKWXJB-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCN[C@]1(C#N)CC[C@H](SCCCCCC2CC2)C1 2235463665 JLOLKKHJGANINE-DLBZAZTESA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(F)cc(OC)c1 2235514227 RRWPGMGELJZVIZ-KRWDZBQOSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCCOc1ccc([C@H](C)N)cc1C 2235522034 PHUOZGDGNFJTJV-INIZCTEOSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(OC)c(F)c1 2235524155 NLNFUDSMFDWEBM-INIZCTEOSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCCC(=O)C1(O)CCC(C)(F)CC1 2235532016 GHPJZATUSKYGDQ-UHFFFAOYSA-N 284.415 4.506 30 10 CJEE C=CCCCCCCCn1ccc(CNC(C)C)c1C 2235540313 VZXOKTMVKHMNHA-UHFFFAOYSA-N 276.468 4.821 30 10 CJEE C=CCCCCCCC[C@@H](N)C1(OC)CCCCCC1 2235540473 XLRZNLIRIADHQN-QGZVFWFLSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(F)cc1OC 2235540930 CDXCNVCHDSGVRY-MRXNPFEDSA-N 279.399 4.751 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2cc(C#N)cc(Cl)n2)C1 2238156371 MVNLLSBBOVGTDM-STQMWFEESA-N 291.826 4.623 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)c1cscn1 2239490125 NXEWNKRPMKHFLR-OAHLLOKOSA-N 298.496 4.561 30 10 CJEE C=C[C@H](CCCCC)Oc1nnc(Cl)c2ccccc12 2239495353 ONKNTSNZZUWPAU-GFCCVEGCSA-N 290.794 4.797 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](CC1(C)CC1)NCCC 2239509395 DIAOZMADYREOSM-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CC1(CNCc2ccc(C3CCC3)cc2)CCCC1 2240375275 UCHZKDSLVXQMEM-UHFFFAOYSA-N 269.432 4.790 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H]1CC[C@@H]1CC 2240574224 NAELBIWNJAWHHD-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O[C@H](C)C(F)(F)F)C(=O)O 2240618954 YXXSFGPEIYJDDO-DGCLKSJQSA-N 298.345 4.548 30 10 CJEE CCCCCCCC[C@](C)(N)c1c(Cl)cnn1CCC 2240622921 ZKKBLDPTRFBOJG-INIZCTEOSA-N 299.890 4.871 30 10 CJEE C=CCCCCC[C@H](N)[C@](C)(O)CCCCCCCC 2240638031 PCNMDKSOEORRRT-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1coc2ccccc12 2241183176 VCEFUBWDZKGVDK-IYBDPMFKSA-N 267.372 4.506 30 10 CJEE C#CCCCCCSC[C@@H]1CCCCC1(F)F 2248080232 DNGOPCXTYQRCCA-ZDUSSCGKSA-N 260.393 4.739 30 10 CJEE C=C[C@@](N)(c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2248796278 HTSBAOVGHOYQSA-CQSZACIVSA-N 272.219 4.688 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(F)cc1Cl 2250164910 YTVWSRCZAHKPKD-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE CC1(C)CC(C)(COCCCCCCCS)C1 2252618807 MNVZFAWKSXBELD-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE C[C@@H](Nc1c(F)cccc1C#N)c1ccc(Cl)s1 2254549426 DMPQNYPGGXVCOP-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C=CCCCSc1c(C)sc(CNC(C)C)c1C 2259051622 OTKCXCTXVKDUKM-UHFFFAOYSA-N 283.506 4.921 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC1(C)C 2259210767 IXZRNAJKXXOBKY-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC1CCN(CC[C@@H](C)CCCC(C)C)CC1 2259607448 MFTOYSGUKOGKHO-INIZCTEOSA-N 251.458 4.737 30 10 CJEE CCCCCCCCCCCCC(O)(CF)CF 2263491877 CIWZSVHJRCRVFJ-UHFFFAOYSA-N 264.400 4.968 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C)cc(C#N)n1 2263722711 KZPKFQJNPRDAOY-CYBMUJFWSA-N 262.422 4.570 30 10 CJEE N#Cc1c(Cl)cccc1OCC[C@@H]1CCCC12CC2 2266649752 ZKAVBYOFWYNAGZ-LBPRGKRZSA-N 275.779 4.561 30 10 CJEE C[C@H](C[C@H](N)CC=CC#CC(C)(C)C)CC(C)(C)C 2268813088 HSBFVRZSCQWJAR-HZPDHXFCSA-N 263.469 4.772 30 10 CJEE C[C@](C#N)(C[C@H]1CCC[C@H]1C(F)F)c1ccccc1 2270062946 QYELDWVADUEVGZ-XNRPHZJLSA-N 263.331 4.539 30 10 CJEE C=C([C@H](NCCC)[C@]12CCCC[C@H]1CC2)[Si](C)(C)C 2273338047 SWUSMACEQLHARM-ULQDDVLXSA-N 279.544 4.759 30 10 CJEE O[C@@H](C#CC1CCCC1)c1cc(-c2cccs2)cs1 2273905623 MGTSAISDWHIZKX-AWEZNQCLSA-N 288.437 4.704 30 10 CJEE CCC1CCC([C@](C)(O)C#CC2CCCCC2)CC1 2273906032 RDOSVCGQYOLIRL-VMWRSERWSA-N 262.437 4.538 30 10 CJEE CCCC[C@@](C=O)(CC)CC1(CSC)CC(F)(F)C1 2273939554 IWDIDVWHVWNPNJ-ZDUSSCGKSA-N 292.435 4.941 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(N)C#CC1CCCCC1 2273989606 ICEZTMVXOKAXAL-SJLPKXTDSA-N 261.453 4.504 30 10 CJEE C=CCCCCCC[C@@H](CCCCC)OCC(=O)O 2275245080 FXURJDRBHIWLJZ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ncccc1F 2278175094 CNPKTZYHWKXTIR-INIZCTEOSA-N 267.388 4.569 30 10 CJEE CCCCCCCCC[C@H](C)NCCOC(C)(C)C 2278236506 QUBTWUPFDCKVSJ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](CC)NC(=O)[C@H]1C 2278248039 QBCFDVKAVRWSMU-VYDXJSESSA-N 267.457 4.678 30 10 CJEE CO[C@@H]1CCC[C@](C=O)(CC[C@@H]2CCCCC23CC3)C1 2279648592 HXCHKDAFSBDRSB-BBWFWOEESA-N 278.436 4.511 30 10 CJEE N#Cc1cccc(F)c1NC1CCC2(CCCC2)CC1 2280493011 GGWSWRZEKNKWKR-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE Cc1cc(N[C@@H]2CCC(C)(C)C[C@H]2C)cc(C)c1C#N 2280563902 ZGVLRHMQXZDUDS-RHSMWYFYSA-N 270.420 4.802 30 10 CJEE CCCN[C@@H]1CCC[C@H](C)[C@H]1CC=CC#CC(C)(C)C 2284115617 LONFNIYOPRAMIU-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccnc2ccccc12 2287408308 HIGHZXZPTLFNNH-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1C[C@H](N)CC 2287409871 ZZQYQNGSJCUVTG-CQSZACIVSA-N 295.854 4.745 30 10 CJEE CC(C)CCC[C@H](C)CCN(CCC#N)[C@@H](C)C1CC1 2287883120 DYZYFLJIOZXAGR-IRXDYDNUSA-N 278.484 4.853 30 10 CJEE N#Cc1csc(CNc2cccc(C3CCCC3)c2)c1 2289306587 SXLIEZFWAPFHGI-UHFFFAOYSA-N 282.412 4.889 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C[C@H]1CCCC12CC2 2289790562 WZLUKCKKEMVYNY-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CC(C)NC[C@H]1CC[C@@H](C)C[C@H]1CC#CC1CCCC1 2289873166 AYCLIFHBIANVGI-BHIYHBOVSA-N 275.480 4.621 30 10 CJEE C[C@H]1CC(C#N)(CC2CC(CC(C)(C)C)C2)C[C@H](C)O1 2290110042 MLDLZGQXKXEDQB-FXQLRMTLSA-N 277.452 4.936 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CCC1CC(C)C1 2290386107 RXHUXSOKABQDNJ-NKELODKYSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1CC[C@H](C)C1 2290623494 WACCVKCUSMMECM-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@H](CCCCCCC)OCCC(=O)O 2291479024 YIROIYQIRWJBCS-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCC[C@@H]1CCC 2291768112 PQABZCRZQHKWKV-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCCC(=O)O)CC[C@@H](CC)C1 2292719846 BQQLCDUEEYBFLE-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCN)CC[C@H](C)[C@H]1C(C)C 2292909421 OOCIAUAPPWCZGA-KSZLIROESA-N 281.484 4.539 30 10 CJEE C=CCC[C@]1(OCCCN)CCCC2(CCCCC2)C1 2293449236 QHVKJEQLMADSKM-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](OCCCN)C1(C(C)C)CCC1 2293682449 MVWZCZIXHQZJLW-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE C#CC[C@H](C)C[C@H](CCCCCCCC)OCCCN 2294050591 KZMJYBTWEOOAJD-ROUUACIJSA-N 281.484 4.521 30 10 CJEE O[C@H](C#Cc1ccccc1Cl)c1csc2ccccc12 2295215155 UTZVNNYJLIIIBA-MRXNPFEDSA-N 298.794 4.640 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@]1(C)C[C@H]1C 2295683264 ZJDXICCUGMJBNK-BDXSIMOUSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(OC)CC(C)C1 2295688895 KICBNLMULHBKDA-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE O=C1C(=Cc2ccccc2)c2cccc3cccc1c23 2297450882 XBJNICKWRVOQIS-UHFFFAOYSA-N 256.304 4.577 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1C=O 2298885398 NNIQUWJFNQMKPT-UHFFFAOYSA-N 266.793 4.765 30 10 CJEE C=CC[C@@H](C)Sc1c([C@H](C)O)ccc(Cl)c1F 2298906488 ZLQVQFPTIDMJJA-BDAKNGLRSA-N 274.788 4.589 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)cc1C 2304085618 GLXGQOWEIAVTNA-HNNXBMFYSA-N 250.769 4.824 30 10 CJEE C[C@H]1[C@@H](OCC2(CS)CCCCCC2)CC1(C)C 2318267086 YFKSMNCTQQKMAB-KBPBESRZSA-N 270.482 4.708 30 10 CJEE C=CC[C@H](C)[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2321105185 NBWKAAIEDOXECF-XHDPSFHLSA-N 286.246 4.856 30 10 CJEE C=CCC(C)(C)[C@H](CC1CCCCCC1)NCC 2321112412 FPHUHQGLVOQVJD-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCOc1ccc(C=NNc2ccc(Cl)cc2)cc1 2322953034 KOKJAGZGUHYBET-UHFFFAOYSA-N 288.778 4.575 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1 2323281206 PVDIYSJHHTVXCP-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE C=CC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2325264564 CZVFUIQUTKPEFP-NSHDSACASA-N 290.209 4.619 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H](F)C1 2327222977 CPYGGSBZPMCZNU-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)c(SC)c1 2328525973 PJEHNJLJCALIRX-CYBMUJFWSA-N 262.422 4.661 30 10 CJEE CCC(CC)(CC)CN(C)C[C@@H](CS)CC(C)C 2328538025 HWABLISARFNATO-HNNXBMFYSA-N 273.530 4.727 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329795196 VLQAVGFCGLINNR-ZQNQSHIBSA-N 267.363 4.778 30 10 CJEE CCC(=NOCc1ccccc1)c1ccc(Cl)cc1 2330251979 JWKWERBWIYJWRO-UHFFFAOYSA-N 273.763 4.671 30 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4.576 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)c1cc(F)ccc1F 235566807 IUGYCDGVVKDOEC-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC(/C=C(/C)Nc1ccccc1)=Nc1ccccc1 245284033 PWYOZUDBDQUBBL-HHKIJBQESA-N 250.345 4.795 30 10 CJEE C[C@@H]1CCC[C@H](S[C@H]2CCCCC[C@@H]2C#N)C1 251839267 OAQPYJZNSBFUAR-KBXIAJHMSA-N 251.439 4.771 30 10 CJEE Cc1cc(C)c(NCC#CC(C)(C)C)c(Br)c1 305894673 BHBJOIPNHJDEHK-UHFFFAOYSA-N 294.236 4.527 30 10 CJEE CC1(C)OB(/C=C/c2cc(Cl)ccc2Cl)OC1(C)C 307486524 BERHHQIQACOPCK-BQYQJAHWSA-N 299.006 4.638 30 10 CJEE C=CCCCCN[C@@H](C)c1sccc1Br 309057760 UFLVEQCQGWERCX-JTQLQIEISA-N 288.254 4.518 30 10 CJEE N#Cc1ccc(NCc2sccc2Cl)c(Cl)c1 310150696 MUOWSEZVXAJQHO-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 311748157 UKLHERPRAAITQT-ZDUSSCGKSA-N 277.795 4.589 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC(F)(F)c2ccccc2)C1 316704481 BNEWPOVJPOQWCA-HIFRSBDPSA-N 266.331 4.564 30 10 CJEE C=CCCCCC[C@@]1(C=O)CCCc2ccccc21 317031591 QSQBUZQPIONHLK-SFHVURJKSA-N 256.389 4.596 30 10 CJEE O=CC1(C[C@@H]2CCCc3ccccc32)CCCCC1 317144545 BNTDFDFOPBITNN-INIZCTEOSA-N 256.389 4.646 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C/C=C/c2ccccc2)C1 317254557 DUSWVURGOYSQSI-RUZKMCDWSA-N 256.389 4.875 30 10 CJEE Cc1cccc(CC2(C=O)CCC(C(C)C)CC2)c1 317607431 RLZVVDVMKWGYAL-UHFFFAOYSA-N 258.405 4.569 30 10 CJEE CC1(C)CCC(C=O)(CCSc2ccccc2)CC1 317947165 YJLSVWYJUYNEIJ-UHFFFAOYSA-N 276.445 4.954 30 10 CJEE CCCC[C@@H](CC)COc1ccc(F)cc1C(C)=NO 379547408 ZTRGGHQRTPFDDS-CYBMUJFWSA-N 281.371 4.619 30 10 CJEE N#C[C@@]1(C[C@H]2CCCCC2(F)F)CCc2ccccc21 382230979 VHCMGSISPJBVDU-ZBFHGGJFSA-N 275.342 4.610 30 10 CJEE C=CC[C@H](C)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 382497269 JTTZSYPDAQHVRE-CYGHRXIMSA-N 257.421 4.513 30 10 CJEE CCCN(Cc1ccccc1)[C@H](CC#N)c1ccccc1 384397109 GWAZLIOYVHOTHX-LJQANCHMSA-N 278.399 4.554 30 10 CJEE Cc1ccccc1N[C@](C#N)(CCC(C)C)C1CC1 388747629 ZMYIORNYPCANFB-KRWDZBQOSA-N 256.393 4.516 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCCC23CCC3)cc1 394771360 UPAIZQOGBFTDFB-INIZCTEOSA-N 268.404 4.622 30 10 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4.661 30 10 CJEE CCCN[C@@H](C)c1ccc(S[C@H](C)CCC#N)cc1 695911184 PZZFPGSTIADAQI-KGLIPLIRSA-N 276.449 4.532 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cnc(Cl)n1C 696425562 AKDOYIAVLZUWKJ-CQSZACIVSA-N 299.890 4.994 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC(C)(C)C(C)(F)F)C1 697083684 XIEXMTVMNSOXSX-SWLSCSKDSA-N 260.368 4.843 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCOC2CCCC2)C1 699958363 BGRSVEBOJSVVBM-WBVHZDCISA-N 266.425 4.511 30 10 CJEE CCCCCCCNc1ccc(C(F)(F)F)cc1N 703711257 CVOXJUQGTWQBGZ-UHFFFAOYSA-N 274.330 4.670 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](C)[C@@H]1CCCCO1 711849129 HXOBCOXRHORADC-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@H](O)c1ncc(SC)s1 712865890 ZPVPXAXECULTDV-NSHDSACASA-N 273.467 4.649 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)[C@H](N)C(C)C 712996773 NTAYGUJNTMISFK-MRXNPFEDSA-N 269.473 4.706 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)c(C)cc1Br 715039235 LYAUOZYLJNRJCH-SECBINFHSA-N 288.616 4.787 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C1CCC(C(C)C)CC1 715767043 ANTHYYOWRZJUSU-RDHHWEPZSA-N 251.458 4.639 30 10 CJEE 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4.737 30 10 CJEE CCCCCCCCCOC(C)(C)CNC(C)C 2056167394 XRLFUYUBWWZREM-UHFFFAOYSA-N 257.462 4.530 30 10 CJEE Cc1c(C(F)(F)F)cc(OC(F)F)cc1C(F)(F)F 2060215355 BYSCAGUQPOVSFF-UHFFFAOYSA-N 294.141 4.634 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2C[C@@H]2C(F)(F)F)CC1 2065559479 IVDLIBCVFHWNCT-MNOVXSKESA-N 259.315 4.685 30 10 CJEE C#Cc1cc(C2CC2)nn1[C@H](C)c1ccc(C2CCC2)cc1 2070097342 NXYBWOGICOSIBR-CQSZACIVSA-N 290.410 4.619 30 10 CJEE CC#CCCCNc1ccc(SC(F)(F)F)cc1 2073670176 LFVBJGLYOYZRQQ-UHFFFAOYSA-N 273.323 4.514 30 10 CJEE CC#CCCCC[C@](CC)(CCCC)CNCC 2075366494 XJJXPMNWMXMXPG-KRWDZBQOSA-N 251.458 4.766 30 10 CJEE CCCCCC#CC[C@H](N)[C@@H](CCC)CC(C)C 2083435059 XQWWRVLSSPVPKR-IRXDYDNUSA-N 251.458 4.750 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CC1(C)C)NCC 2085844242 KYTWAGKPDKTMDB-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@H](CCCC(C)(F)F)NC 2085853989 JREOWDROZWLQTQ-CQSZACIVSA-N 261.400 4.927 30 10 CJEE C=CCCCCCCCCN1CCSC(C)(C)C1 2086237848 VODFLIVCKSCPDH-UHFFFAOYSA-N 269.498 4.731 30 10 CJEE CCCCCCCCC(=O)c1cc(OC)ccc1C 2089744501 YHACRQGXDWROLL-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CCCCCCCCC[C@@H](O)c1nc2c(s1)CCC2 2090104533 CGCQCKVUFKXJBC-CQSZACIVSA-N 281.465 4.806 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](O)CCCCC 2092182890 SDGIEKQKMPSXOU-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@]1(F)CCC[C@@H]2CNC[C@@H]21 2092970650 WGOKGNKQYJSMFI-IKGGRYGDSA-N 269.448 4.855 30 10 CJEE CCCCC[C@H](C)N=C1N[C@@]2(CCCC2(C)C)CS1 2094148828 LPAXMRUMOOQXNQ-BBRMVZONSA-N 282.497 4.597 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@@H]2C(C)C)c1C#N 2096605204 MLARUIUDQBERER-TZMCWYRMSA-N 274.433 4.517 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC(F)(F)CC1 2097427748 QZVTVOGLPYKHHN-ILXRZTDVSA-N 271.395 4.679 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCC2(CC2)C1 2099945772 NPJZXVDOWLMXJI-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cnccc1C(F)F 2101202354 ZAPFLYJXVPTHEJ-DGCLKSJQSA-N 266.335 4.566 30 10 CJEE CCCCCCC[C@@H](NCC)C12CCC(F)(CC1)C2 2101278267 SQHSEKKELRQTGR-KLAILNCOSA-N 269.448 4.997 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)CCC1CC1 2101868946 PJLPVLJASQHLCU-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE CCCCCCCCC1(F)CCC2(CC1)C[C@@H]2CN 2102068167 DLGQRBLXIGSTFC-KLAILNCOSA-N 269.448 4.984 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1c(C)cc(C)cc1C 2102472979 MBLPVMWFUUFNOW-DLBZAZTESA-N 257.421 4.619 30 10 CJEE CC(C)[C@H]1SC(=N[C@@H](C)c2ccccc2Cl)N[C@H]1C 2103001177 JDZUIGWQUGFUCR-COPLHBTASA-N 296.867 4.507 30 10 CJEE C[C@](C#N)(C[C@@H]1CCC=CCCC1)c1ccccc1 2107458404 KEJDXSLLKZVLNE-SJLPKXTDSA-N 253.389 4.994 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(CSC)cc1 2107848266 OTCSVIFTWQQZKU-KRWDZBQOSA-N 277.477 4.947 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1cc(Cl)sc1C 2107912654 BCEYPFIZTJBPFJ-OAHLLOKOSA-N 295.879 4.944 30 10 CJEE CCCCCCCCCC[C@@H](N)CC1CCOCC1 2108244605 QWWYMSOFKMRJRB-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=C1CCC(CNC2CC3(CCCCCC3)C2)CC1 2108480331 QJDZQKPKCKAHMR-UHFFFAOYSA-N 261.453 4.825 30 10 CJEE N#C[C@]1(Cc2cc3ccccc3s2)CCC(F)(F)C1 2108719842 NREAYCBCZYAMCM-AWEZNQCLSA-N 277.339 4.773 30 10 CJEE CCCC[C@](C)(C#N)C[C@@H]1CC2(CCCCC2)CO1 2109913674 NAUONGUCAKUJGB-CVEARBPZSA-N 263.425 4.836 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@]1(C=O)CCC12CCC2 2110456150 VRGIXVIGUANHPO-XSWJXKHESA-N 260.421 4.598 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2[C@H]3CCCC[C@H]32)CC1 2110942466 OZVOLUZQMKHFPF-MHORFTMASA-N 261.453 4.537 30 10 CJEE C=CC1(C[C@@H](NCCC)C2CC(C(C)C)C2)CCC1 2111721722 VPAFPQMWFWEWLQ-OFLPRAFFSA-N 263.469 4.783 30 10 CJEE CCC[C@@](C)(C#N)[C@@](C)(O)C1CCC(C(C)C)CC1 2112096821 ZANBKCDLIKOUQB-GQGLESIBSA-N 265.441 4.530 30 10 CJEE CCc1ccccc1C[C@@]1(C#N)CCCC(C)(C)C1 2112244200 NYYTUBIXACHGHD-SFHVURJKSA-N 255.405 4.902 30 10 CJEE CCCC[C@](C)(C#N)[C@@](C)(O)[C@H]1CCCC(C)(C)C1 2112303899 LWULISYASPANJR-UAGQMJEPSA-N 265.441 4.674 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C2(O)CCCCCCCC2)C1 2112446837 QOYIFRMRVMGLLC-HZPDHXFCSA-N 263.425 4.572 30 10 CJEE N#Cc1cc(NC2C3CCCC2CCC3)ccc1Cl 2112855488 BUTLQRZRCBTRJG-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE CCCCCCCO[C@H]1CC(=O)[C@@]12CCCC2(C)C 2117050259 UIJLYAXRXXBSSP-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H](C(C)C)CC2)cc1 2120726686 VWAPHIAUCFXXBC-IRXDYDNUSA-N 255.405 4.685 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1 2125181453 SXWIZEZKMRSMAM-QCEMKRCNSA-N 260.421 4.764 30 10 CJEE CC[C@](C=O)(C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C 2127923979 RRHWGYMHRJEKFC-BFHYXJOUSA-N 278.358 4.997 30 10 CJEE N#CC1([C@@H]2C[C@@H]2c2ccccc2)CCC(F)(F)CC1 2128481971 VRRKIJQHSIALEU-ZIAGYGMSSA-N 261.315 4.509 30 10 CJEE CCCCCCCCC[C@]1(N)CO[C@@H](C(C)(C)C)C1 2129153518 VZERMDKSCUZLLM-NVXWUHKLSA-N 269.473 4.660 30 10 CJEE C=CCCCCC[C@H](CC1CC(F)(F)C1)NCCC 2131094087 YDOAWOWUBKJRBE-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=CC1(CN[C@H](C)[C@@H]2CC3CCC2CC3)CCCC1 2132984034 WZJYIHPQZYRTRH-VXLLPVPCSA-N 261.453 4.537 30 10 CJEE CC(C)(C)CCC[C@@]1(C=O)CCOC12CCCCC2 2133758762 OMOCPGNTTADTEP-INIZCTEOSA-N 266.425 4.511 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1 2135328556 QRNUPXBIKNTEFC-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@@H]2C(C)C)CC1 2135330081 CGJCVVDOQBZSMN-KURKYZTESA-N 263.469 4.783 30 10 CJEE C=CCCCCN(C)C[C@@H]1C[C@H]1C1CCCCCC1 2135482874 AGGZMTNGFCKCBZ-ROUUACIJSA-N 263.469 4.881 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2136076610 MAKFWVNLPSFCMX-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C[C@H](CC(C)(C)C#N)O[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2136430424 MCMVMGHZWWFTRS-FXUDXRNXSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(OC)c(Cl)c1 2138238424 IZZOXGSENQBMCC-MRXNPFEDSA-N 284.827 4.917 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2CCCC(C)(C)C2)C1 2138411506 CAVVTDIKVHTSDV-IAGOWNOFSA-N 263.469 4.881 30 10 CJEE CCCC#CCC[C@H](NCCC)c1cccc(Cl)c1 2138986848 YCZFJUCIXKLUDT-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc(C)ccc1Cl 2138992593 CBAQFVYNWZFXCL-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE CCC1(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CCC1 2139114685 GKOIKKSAGQNNKC-CYBMUJFWSA-N 296.197 4.750 30 10 CJEE C=CCCCCCC[C@H](NN)[C@H]1CCC[C@H](C)CC1 2141908845 POROOHAFHXXPLK-ULQDDVLXSA-N 266.473 4.561 30 10 CJEE C=CCCCCCC[C@](C)(O)c1ccc(C)c(F)c1 2141998936 IGTONWWVFFFOKH-KRWDZBQOSA-N 264.384 4.868 30 10 CJEE C=CCCCCCCCCNCc1nc(CC)cs1 2142434356 ZVUBYNBEMBMMMK-UHFFFAOYSA-N 280.481 4.712 30 10 CJEE C=CCCCCCCCCC[C@H](COCC)NCC 2142434495 JDJOVLOEZNKVMI-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](N)C[C@@H]1CCCCO1 2142439149 KDJKEBZHWASYBJ-SJORKVTESA-N 267.457 4.580 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(C#N)CCC12CCC2 2142464979 UTBGIPCXYCSYRG-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@@H]1C[C@@]1(CNCC)C(F)(F)F 2142468460 BGIYZVLCMSEKMQ-KGLIPLIRSA-N 279.390 4.915 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CCNC[C@H]1F 2144180941 VMINQFIFBJOPTF-IAGOWNOFSA-N 287.463 4.624 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1cccc(C(F)F)c1 2147039279 QSEJSQLNTMKVOZ-AWEZNQCLSA-N 284.346 4.528 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCC)C1CCCCCC1 2147673068 WZHJGDUIYRQVCO-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(O)c1ccc(C)s1 2148581826 HVVOHGQNBHGWGA-NVXWUHKLSA-N 297.508 4.603 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@](C)(O)C(C)C 2148593709 AUOOAXKYJXSEHE-ROUUACIJSA-N 285.516 4.902 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CCC[C@H]1C(F)(F)F 2149008639 LBMIVIJGWYORHK-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)C(C)(C)C(F)F 2149866023 YTDXATDULLETQA-OAHLLOKOSA-N 285.422 4.620 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(COC)CCCCC1 2150584643 BCSGAPHLTMLFLE-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCC[C@@H]1NCCC 2153458966 YBWCPJVDNLKOJV-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C2(O)CCCCCCCCC2)C1 2153466336 RHQRUQXQXOTRRC-IAGOWNOFSA-N 277.452 4.962 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1c(F)ccc(F)c1F 2158326179 BJOSUSHNTDEZRD-ZBEGNZNMSA-N 285.353 4.747 30 10 CJEE C[C@@H](Nc1cc(C#N)cc(Cl)n1)C1CCC(C)(C)CC1 2158437714 DCABHFDEUZKGNX-LLVKDONJSA-N 291.826 4.623 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCCC1)C1CCC(C)(C)CC1 2158446579 JMCDFDSQTCDCDN-WMLDXEAASA-N 276.468 4.511 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)C1(C(F)(F)F)CCCCC1 2158694489 JXLIGFMZUNJEQS-KBPBESRZSA-N 289.385 4.834 30 10 CJEE CC(C)[C@@H]1SC(=NC[C@H]2CCCC(C)(C)CC2)N[C@@H]1C 2159235984 BXNJDTAPJZCUPJ-ILXRZTDVSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1C[C@H](C)CN1 2159254472 JXNBIRKCRZTYPM-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCC[C@@H]1CCC[C@H](N=C2N[C@H](C3(C)CC3)CS2)CC1 2159461016 FNEJBRVQXOZUHD-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE C[C@@H]1C[C@@](C#N)(Cc2ccc3c(c2)CCCC3)CCS1 2159715814 KOVWUUHUAYUCRG-RDTXWAMCSA-N 285.456 4.533 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CC23CCC(F)(F)CC3)CC1 2163368396 KKYBVMTUMONVKY-AWEZNQCLSA-N 282.374 4.908 30 10 CJEE C=CCOc1ccccc1[C@@H](O)[C@@H]1CCCC(C)(C)C1 2163774351 OWAJHIRPEIEUEH-PBHICJAKSA-N 274.404 4.501 30 10 CJEE CCCN[C@H](C[C@H](C)CC(C)C)c1cccc(C#N)c1 2164206192 YKBYMZHWYXYGLY-CRAIPNDOSA-N 272.436 4.671 30 10 CJEE C=C1CC(CNC(C)C)(C[C@]2(C)CCCCC2(F)F)C1 2167980274 XEGHPLSRBBGFRO-HNNXBMFYSA-N 285.422 4.927 30 10 CJEE CCCC1CCC([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)CC1 2168401959 DHVXRCOMMBKNRN-VVLHZNOGSA-N 276.468 4.653 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(F)cc(Cl)c2)C1 2168547250 GCTFCNIEWZNWEF-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE CC1(C)CCC[C@](C#N)(C2(O)CCC3(CCC3)CC2)C1 2168548178 MWORKZBJVFYVML-KRWDZBQOSA-N 275.436 4.572 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)[C@@H]1CCCC(C)(C)C1 2168628152 CLNBYECAFSIPHS-JKSUJKDBSA-N 278.484 4.901 30 10 CJEE CCCCCCCCCC(=O)c1cccc(OCC)n1 2168878436 JVAZQGCUYKATSN-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H](O)c2ccccc2Cl)C1 2169736560 PCVJUNDHYPPWOL-COXVUDFISA-N 291.822 4.874 30 10 CJEE C#Cc1ccccc1CN[C@@H]1CCC[C@@H](CCC)CC1 2170204994 BETYWEVLNSVBEV-VQIMIIECSA-N 269.432 4.507 30 10 CJEE SC[C@H](CN1CCCC2(CCCCC2)CC1)C1CCC1 2171394405 JIDNAWZFBQTMPZ-KRWDZBQOSA-N 295.536 4.769 30 10 CJEE C#CCCCC[C@@H](NCCC)C1(CC(F)(F)F)CCC1 2173468334 DUSOFCHPRJMVMQ-CQSZACIVSA-N 289.385 4.671 30 10 CJEE C#CCCCC[C@@H](Cc1ccc(F)cc1Cl)NCCC 2173490123 IBUSVSDRMXWLDP-INIZCTEOSA-N 295.829 4.583 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1[C@H]2COC[C@H]21 2174598435 ZRNZOIDUURTZJK-XMTFNYHQSA-N 282.468 4.551 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SC2CCCCC2)CC[C@@H]1C 2175757297 AGKJUFAPADFAHE-XIRDDKMYSA-N 294.508 4.503 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc2sncc2c1 2177165294 QIDOUNNUKQVPNK-INIZCTEOSA-N 286.444 4.531 30 10 CJEE CCCCCCCC[C@H](O)c1ccncc1C(F)(F)F 2177773778 NEAYILZUYHIHFX-AWEZNQCLSA-N 289.341 4.884 30 10 CJEE CCCCCC1CC(N[C@H](CC#N)c2ccccc2)C1 2180055268 CFMYJIRPLPWJST-VMWRSERWSA-N 270.420 4.590 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@@H]2CC23CCC(F)(F)CC3)CC1 2181648258 WDGBJBCKXRLLOQ-OCCSQVGLSA-N 282.374 4.908 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C[C@H]2CCCOCC2)CC1 2181648537 URGARLFSTUWDHA-GOEBONIOSA-N 278.436 4.535 30 10 CJEE COc1cc(C)ccc1C(=O)C1=CC[C@H](C(C)C)CC1 2181660971 AFFKDHOJAMGFHO-AWEZNQCLSA-N 272.388 4.569 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@](OC)(C(F)(F)F)C1 2182008398 PUVSWTFMTYZKCA-XBXGTLAGSA-N 294.357 4.664 30 10 CJEE N#C[C@H]1CCC[C@H]1NC1CCC2(CCCCCC2)CC1 2185757402 AOHGYWTUUOQKFJ-NVXWUHKLSA-N 274.452 4.551 30 10 CJEE N#CC1(CCCCCCCCCO)C[C@@H]2CC[C@H](C1)S2 2190655244 LLZULBRPHYRYIM-SJPCQFCGSA-N 295.492 4.667 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2nc(Cl)ccc2C#N)C1 2192709978 HJZDBMPMPGAMOP-OCCSQVGLSA-N 291.826 4.623 30 10 CJEE CCC1CCC(CN(C)c2cc(Cl)ccc2C#N)CC1 2192818186 BDIFMLYBDLKPOP-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE CCCC[C@@H](CC)N=C1N[C@H](C2CCCCC2)CCS1 2193740150 APHZKSFHBZQWQW-CVEARBPZSA-N 296.524 4.987 30 10 CJEE CCCCCCCCCCN1CCC(N(C)CC)CC1 2195678619 FOFAZHXEXVHRNU-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CCCc2sccc21 2196170289 WVSYMFIEURSZSA-WBVHZDCISA-N 289.488 4.730 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccccc1C1CCC1 2196174472 NVVVUFRQSZBZRB-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CC#CCCCC[C@@]1(CNCC(C)C)C[C@H]2CC[C@H]1C2 2196176692 ITHRGDJYENEAJB-FHWLQOOXSA-N 275.480 4.622 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(C)c(C)cc1C 2196176921 KKGWZLKHNBNECD-LJQANCHMSA-N 271.448 4.846 30 10 CJEE CCCN(c1cc(C#N)cc(Cl)n1)C1CCCCCC1 2197129335 BSQUYERSADFZPA-UHFFFAOYSA-N 291.826 4.546 30 10 CJEE C=C(c1ccccc1)[C@@](C)(N)c1ccc(C(C)C)cc1 2197152266 SKOQGISXDMMGGT-LJQANCHMSA-N 265.400 4.697 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]2C2CCCCCC2)cc1 2200139373 OTCIDKQGIFBTPG-WMZOPIPTSA-N 268.404 4.577 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]2c2ccccc2)CCCC12CCC2 2200393668 YYWSJCAKUDKZRN-JENIJYKNSA-N 268.400 4.720 30 10 CJEE Cc1ccc(C#N)c(O[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 2201106052 RUNVCOOWRFSEIX-HYVNUMGLSA-N 269.388 4.604 30 10 CJEE N#Cc1cc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)ccc1Cl 2201126850 SVVWHOBNISEKPZ-SRCQZFHVSA-N 288.822 4.982 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@]12CC[C@@](CC)(C1)OC2 2201802083 IMNYJWSOBAUMCG-SQNIBIBYSA-N 281.484 4.674 30 10 CJEE CCCC#CC[C@@H](NCC)c1cc2c(s1)CCCCC2 2203786274 DLIKNKNQIYEJHG-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1CCCCC(F)(F)C1 2203791974 OPUKXIQDCLRMFM-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccc(C(F)F)o1 2203819915 RAVWMOVWJVTDBP-ZDUSSCGKSA-N 283.362 4.842 30 10 CJEE CCCCCC#CCC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 2203880194 RLQQXYVMQRJPIO-KBPBESRZSA-N 288.353 4.898 30 10 CJEE C=C[C@H](C)C[C@H](CC1C2(CCC2)C12CCC2)NCCC 2204001784 KIWKZXDXXQAXHI-JKSUJKDBSA-N 275.480 4.927 30 10 CJEE CSc1cccc(N[C@@H](C(F)F)C2CCCC2)c1C#N 2204139436 FSKGUIKSCTXEBS-CQSZACIVSA-N 296.386 4.516 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc2ccncc12 2206899613 YPWRBQOCLICWOI-GOSISDBHSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCCNC[C@@H](C)[C@@H]1CCCO1 2207402818 FFGRITJCSGNYHZ-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](O)CN1CCCCCC1 2207404366 SNZRRNTVDREZSM-GOSISDBHSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1nn(C)cc1Cl 2207405975 VGIWRYAIDUVTFE-OAHLLOKOSA-N 297.874 4.770 30 10 CJEE C=CCCCCCCCCCNC[C@H](OC)[C@H](C)CC 2207424582 GWIFCSDQBDJTFE-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CC[C@@H]1CCOC1 2207431898 KGUAGUDBRSYMRH-QZTJIDSGSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1cnn(C)c1Cl 2207440284 YPMYCIPPGVVCDF-OAHLLOKOSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCCC[C@H](CCOCC(F)F)NC 2207442642 SSFLOAJBNUQZNL-OAHLLOKOSA-N 291.426 4.553 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)C[C@@H](C)C(C)(C)C 2207446391 DRCVQHFRQWNLIG-SJORKVTESA-N 284.532 4.678 30 10 CJEE C=CCCCCCCCNc1cccc(P(C)(C)=O)c1 2208738299 BUEGCVMZTFKGCG-UHFFFAOYSA-N 293.391 4.873 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](CS)C(C)(C)C 2216918265 DGCOSIDNIZHWAA-KGLIPLIRSA-N 258.471 4.730 30 10 CJEE C=C(Cl)C(=O)CC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2218376319 ZRQYCVBXKWLNFG-CNDDSTCGSA-N 276.754 4.550 30 10 CJEE N#Cc1c(Cl)cccc1NCCCCCC1CC1 2218753608 GPAKJADCUIVNCI-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCCC[C@@H](CC1(F)CCC1)NCC 2220676016 VSTUDRGLWBRVII-HNNXBMFYSA-N 255.421 4.773 30 10 CJEE CCCCCCCCCOC[C@H](CC)NCCC 2223187754 BVIRBZNLJYDSHA-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC1(CN[C@@H](C)CC)CC(F)C1 2223551025 ONFGZYQDUNXTDV-FHERZECASA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@]1(C)C[C@]1(CN)C(F)(F)F 2223776872 OEOZGDNKSIWGRT-CHWSQXEVSA-N 265.363 4.654 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1[C@H](C)C1(F)F 2223834139 QYZPUKBIEGRGKM-MJBXVCDLSA-N 262.384 4.779 30 10 CJEE CC[C@@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2225673742 JRJRDTWBTGZLOG-YPMHNXCESA-N 298.213 4.852 30 10 CJEE CCCCCCCCCCOC[C@@H](CC1CC1)NC 2226303646 UVKSGZZTYRNOFC-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](N)c1ccc([C@H](C)OC)cc1 2226604317 GITXHEMLZKSVBN-YOEHRIQHSA-N 263.425 4.754 30 10 CJEE C=CCCCCCCCNCC[C@@H]1C[C@H]1C(F)(F)F 2227274520 UMGULJWTGXKOMI-ZIAGYGMSSA-N 277.374 4.691 30 10 CJEE C=CCCCCCCCNCC[C@H]1C[C@H]2CC[C@H]1C2 2227285117 JJTYHEDUSAOOQW-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 2227291910 WACMVNPHMAWSPX-TZNCUMHOSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1CC12CC(F)(F)C2 2227291928 WCNTUJHXFQVCRK-CYBMUJFWSA-N 270.363 4.908 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(Cl)c(C)cc21 2228596931 LWZZIEGGVLBSTK-UHFFFAOYSA-N 294.851 4.889 30 10 CJEE CCCC#CC[C@@H](NCCC)[C@]1(C)CC=C(C)CC1 2229033167 YAIHLCNGHBAPKP-QZTJIDSGSA-N 261.453 4.685 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1cc(C)cc(Cl)c1 2229556465 XJWQXXFSYPDTDC-KRWDZBQOSA-N 271.791 4.536 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1ncccc1C(C)C 2230968369 VVMHFVOJEBWVIB-KRWDZBQOSA-N 258.409 4.858 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](CS)c1ccccc1 2231037172 LWAVLKJIJPNFSP-SJORKVTESA-N 278.461 4.852 30 10 CJEE Cc1cc(Cl)cc(Oc2nc(C)c(C#N)cc2Cl)c1 2231272873 KVXWCEYEYINYPS-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCNCCCC(F)(F)C(F)(F)F 2231729501 PNPSLCPVMAKEBA-UHFFFAOYSA-N 289.332 4.914 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)C(C)(C)CC 2231857768 VCMWIFXWXNSROL-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(C)ncc1C 2231900103 DYYJAWOJKWUESN-QGZVFWFLSA-N 263.425 4.657 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@](C)(O)CC(C)C 2231926992 BASRBHKEOGNVMP-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](C)N(C)c1cncc(Cl)n1 2231928187 FTMJTFJDDXKWMI-CYBMUJFWSA-N 283.847 4.705 30 10 CJEE CCCCCCCC[C@H](C)NCC1C2(CC2)C12CC2 2231931354 WUEQNNXKVBJJDY-HNNXBMFYSA-N 263.469 4.905 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CCCC)NCC 2231945246 DGZRLKKJKSMBSX-SJORKVTESA-N 271.489 4.656 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2occc2c1 2232407800 QFEPXLCWHRTRDD-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE CN(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)CC1(CS)CCCC1 2233542710 FORUQLXSMLMXPI-FVQHAEBGSA-N 295.536 4.625 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1c(F)ccc(Cl)c1F 2233783600 WJVVGJMSKXXZKB-ZDUSSCGKSA-N 299.792 4.708 30 10 CJEE C=C1CC(C/C=C/c2ccccc2)(CNC(C)(C)C)C1 2234616439 MFKOBJXUKIUQBX-DHZHZOJOSA-N 269.432 4.814 30 10 CJEE C=CCCCCCCC[C@H](O)CC[C@H]1CCCC[C@H]1N 2235514402 UBQYUDYLVGYQLD-FGTMMUONSA-N 281.484 4.562 30 10 CJEE C=C[C@@H](CCCCC)OC1(CNC(C)C)CCCCC1 2239488138 XJZGHGXOOHGWKW-KRWDZBQOSA-N 281.484 4.839 30 10 CJEE C=C[C@H](CCCCC)OCc1csc(CNCCC)c1 2239509131 BLFYKPDVSQHABO-MRXNPFEDSA-N 295.492 4.899 30 10 CJEE C[C@@H](CC(C)(C)C#N)[S@@](=O)CCCCCCCC1CC1 2239552065 KGUVKLSSVSQKDI-YWZLYKJASA-N 297.508 4.814 30 10 CJEE CCc1ccc(C#C[C@@H](O)c2cc3cscc3s2)cc1 2239631733 IMJLGOBCKFYHFJ-OAHLLOKOSA-N 298.432 4.610 30 10 CJEE CCCCCCCC[C@@H](C)N(C)CCCCCC(=O)O 2240642749 PYCAOOWYFNUAFQ-MRXNPFEDSA-N 285.472 4.702 30 10 CJEE C=CCC[C@H](C)OCc1cccc(Br)c1C 2243577239 JJNAJYXKWQNJKC-NSHDSACASA-N 283.209 4.629 30 10 CJEE N#C[C@H](c1ccc(Br)c(F)c1)C1CCCCC1 2250029697 ZGYAPZPJGYSWEJ-LBPRGKRZSA-N 296.183 4.776 30 10 CJEE C=C(C)CCCC[C@@](C)(O)CCCC(F)(F)F 2250180949 HHUJATZRVOXYKC-GFCCVEGCSA-N 252.320 4.607 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@H](C(F)F)[C@H]1C 2256100389 WWLKNYVXBVJBFC-MJBXVCDLSA-N 261.400 4.616 30 10 CJEE N#Cc1nc(CSCCCCCCC2CC2)cs1 2258690667 IMTLUAUALIBYEZ-UHFFFAOYSA-N 280.462 4.608 30 10 CJEE C=CCCSc1c([C@H](C)NCC)ccc(Cl)c1F 2258979223 SLNDFYIKTJQZDS-JTQLQIEISA-N 287.831 4.818 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(C)CC(C)(C)C1 2259192337 FIMAFBQWBNPZQD-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCC[C@@H](CC)CC1 2259213226 UAIDDASDOMLQRZ-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@H](CC[C@H]1CC1(C)C)NCC 2259237179 LFCABHVNQMMGSJ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCN(C)C[C@@]12CCCC[C@@H]1CC2 2260576281 YHNRIIUAOWOQBT-SJORKVTESA-N 251.458 4.859 30 10 CJEE C#CC[C@H](C)C[C@](C)(O)CCCCCCCCC 2263661064 LMMHBDRIGKFYMP-DLBZAZTESA-N 252.442 4.928 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264497271 YKBJUIBLAUHEDX-LBHJEWGBSA-N 263.469 4.760 30 10 CJEE CCCCCCCCCCCO[C@H]1CC[C@H](C)NC1 2264665390 LZWCQUMSMSSGDT-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C#CCCC[C@H](C[C@H]1CCCCC12CC2)NCCC 2264820937 BIQVOPTXTCROPV-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCCC#CCC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 2265005702 HEMQACQKZGRILR-JOCQHMNTSA-N 274.326 4.508 30 10 CJEE Cc1ccc(Cl)c([C@H](C#N)Nc2ccccc2C)c1 2268110553 WMJOUWLHTJWWBO-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H](C)C(C)C 2268741772 JIFHGQLETPUJGZ-SJORKVTESA-N 263.469 4.643 30 10 CJEE C=CCCS[C@@H](C)[C@@H](NCCC)c1ccccc1F 2271597151 RDQAOLLUWXCOEV-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@]1(C)CCCC1(F)F 2271800482 ZEKKDRRVDRKOBF-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NC)C12CCC(CC1)C2(C)C 2271836245 FBAZLRUSCIIOKW-UPTPFMHGSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)[C@H](CC)CCC 2272082400 ZIYILOMEMNXOQU-IXDOHACOSA-N 271.489 4.512 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(SC)s1 2274002432 YUCNPHQIGNEYQA-CQSZACIVSA-N 293.501 4.704 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@H](C)C(C)(C)C 2276159261 RBKRFJVJWZAZSR-HOTGVXAUSA-N 269.473 4.539 30 10 CJEE C=CC[C@@H](C)[C@@H](OCCCN)c1cc2sccc2s1 2276663132 WAQKDMTVGXUUPB-IAQYHMDHSA-N 295.473 4.582 30 10 CJEE CCCCCCC[C@@](C)(CC(CC)CC)OCCN 2277179965 UPLHBNAUKFYSML-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccnc(C)c1 2278157342 XEWZADMTYKICOX-KRWDZBQOSA-N 263.425 4.738 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CCC(C)C 2278245858 XJEZFEFKDGREGU-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@](C)(C#N)N1CCCCC1 2278248752 WWSAQNOVQDEPSX-QGZVFWFLSA-N 264.457 4.895 30 10 CJEE C[C@H]1CCC[C@@H](CCn2ccc3cc(C#N)ccc32)C1 2279811371 YZCZLIBDHUBKAS-GJZGRUSLSA-N 266.388 4.729 30 10 CJEE CCCCCCC[C@](C)(OC[C@@H]1CC[C@H](C)C1)C(=O)O 2282914919 KSFCWMSMRDLEPM-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(C(=O)O)C1CCCCC1 2284177511 IMWSVJORNQVNGQ-SFHVURJKSA-N 276.420 4.653 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCC[C@@](N)(C#N)C1 2287094195 MZNJSMQZVDZXHU-SJORKVTESA-N 294.508 4.657 30 10 CJEE CCC[C@]1(C)CSC(=Nc2cc(C3CC3)ccc2F)N1 2287297712 NGAHCIPAVSUMCY-MRXNPFEDSA-N 292.423 4.586 30 10 CJEE C=C(C)CCCCOc1ccccc1[C@@H](C)NCCC 2287409658 XNCAINBPUANWGY-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@@H](C)c1ccc(Cl)cc1 2287684762 ZHBLZWOWRADUOJ-YOEHRIQHSA-N 295.854 4.728 30 10 CJEE C=CCC1(OCC[C@H](C)CCCC(C)C)CCNCC1 2287968262 YTCCIAUTWGGHQH-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@]12CCC[C@@H]1CC2 2289689970 IYBADOOGVBSSFG-GUDVDZBRSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C=CCC1)OCC(=O)O 2291120770 QQAWSFYYGUYHLD-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCC(=O)O)[C@@H](C)CCC 2291672670 WJANLMBEMDUMFH-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE C=CC[C@@](C)(CCCCCCCCC)OCCC(=O)O 2291714941 JEOKXYWWFHTZEK-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1ccc(C)s1 2292646647 WHFXRVVLODCRSG-MRXNPFEDSA-N 295.492 4.990 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)C(CC)(CC)CC 2292712249 KNKGUQFGLCOGPF-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)C1(C)CCCC1 2292727715 OLTIAUMZQJFQRA-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCCC[C@@H]1C 2292785017 QHVYIXCKQZKXBX-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCC(C)(C)C[C@H]1C 2293351050 YLUUJOCZRVRNMV-RDTXWAMCSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCN)C(C1CC1)C1CC1 2293376076 VXKSWVOBCRFHMQ-KRWDZBQOSA-N 281.484 4.517 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)C1(C)CCC1 2293580144 CPDONKWCGCBXNG-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC1(OCCN)CC2(CCCC2)C1 2294007039 SAFZUVGZTKILKC-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C([C@]1(OCCCN)CCC[C@H](CC)CC1)[Si](C)(C)C 2294325399 TZSOCRLEDJFIGM-IRXDYDNUSA-N 297.559 4.515 30 10 CJEE CCC1CCC([C@](C)(O)C#Cc2ccccc2Cl)CC1 2295233695 CXDZHGBOXKAYFU-JFUPDXTOSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N(CC(=O)O)[C@@H](C)CC 2295532406 WMOJYDLDPAPMCY-HOTGVXAUSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@@H](C)N(CCC)CCC(=O)O 2295535002 XRCZZGAIKQOCDO-MRXNPFEDSA-N 285.472 4.702 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H](C2CCC2)CO1 2295537434 ZHCABDYYLCNFOQ-ZWKOTPCHSA-N 281.484 4.879 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@@H]1CCC[C@@H]1O 2295690181 YTEFWCFZNIALTH-MHORFTMASA-N 283.500 4.655 30 10 CJEE C=CCC(CC=C)Nc1ccc(F)c(Cl)c1F 2301052192 CYPRJXHJACAVOG-UHFFFAOYSA-N 257.711 4.551 30 10 CJEE O=C(C=Cc1cccc(-c2cccnc2)c1)c1cccs1 2301260036 VMZXPMILHOUEEV-UHFFFAOYSA-N 291.375 4.706 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1c(C)sc(C)c1C 2304063864 XVZZQBGOVIWERG-CQSZACIVSA-N 251.439 4.536 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(C)c1Cl 2304085083 ALKIGQHAWVCOJF-OAHLLOKOSA-N 250.769 4.824 30 10 CJEE CC1(C)CC(CS)(CSCc2ccccc2)C1 2304521581 ZSOFZDUEOSDTBN-UHFFFAOYSA-N 266.475 4.656 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCS[C@@H](C)C1 2308871079 NZUKHOKKFUXQGW-OWCLPIDISA-N 271.514 4.857 30 10 CJEE C=CCC(CC=C)SCc1cc(C(=O)O)sc1C 2313524588 MWGRPIBCKKDLPL-UHFFFAOYSA-N 282.430 4.509 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cc(OC)c(Cl)s1 2317943259 XVPQWGRLHFFFEN-MFKMUULPSA-N 287.856 4.663 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C(C)C)C(C)C)NC 2321104828 JHDUHNPPLDOODC-IAGOWNOFSA-N 253.474 4.885 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C(F)F)cc1 2321129592 CDGDICHYPQZOSO-OAHLLOKOSA-N 252.304 4.799 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 2335201084 QXCWLZZKBDVPEZ-VNQPRFMTSA-N 281.509 4.783 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1ccc(C(C)(C)C)cc1 2335206722 NGNWESBXVAOOCR-XJKSGUPXSA-N 277.477 4.682 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1COCC1(C)C 2336038090 KBKYYYKBQUPFTM-HZPDHXFCSA-N 270.457 4.551 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)ccc1C(F)F 2338269080 FKOFVHNTRSQGBT-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C[C@@H]1CCC[C@H](COCCCCCCCCCS)O1 2338704833 HTMVHKCGEQAESB-HZPDHXFCSA-N 288.497 4.621 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC[C@H]1CNC(C)(C)C 2338725193 OTHYRSWFTFRELS-DLBZAZTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H]1CCCCC12CC2)NC 2338746965 LVCDZKKLKCHFAJ-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1CCCC(F)(F)CC1 2338750016 OKLDANLDSKYLLD-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE C=C(C)CC[C@@H](C)Nc1cc(C(F)(F)F)c(C)cn1 2338766364 VBKMUMILGKCDRZ-LLVKDONJSA-N 272.314 4.566 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(F)cc1C1CC1 2339155853 PCAJKFDVCYWCHM-KRWDZBQOSA-N 261.384 4.839 30 10 CJEE CC1(C)CCC[C@@]1(C=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339274666 JDMYZVDTMLRCLJ-CBZIJGRNSA-N 260.421 4.764 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cccc(CC(C)C)c1 2341885114 PVOCPQNUXDKUPT-QZTJIDSGSA-N 257.421 4.502 30 10 CJEE C=CCCC[C@@H](N)[C@H](c1ccccc1)C1CCCC1 2342370696 OJVDGWWLNCLNPQ-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2CC[C@H]2C(C)(C)C)C1 2343073995 ASFUBEYWCLRLIN-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=CC1(C[C@@H](NC)c2cccc(C(C)C)c2)CCC1 2343602299 ZGQPTIBUMKQILG-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@H](CC1[C@@H]2CCCCC[C@@H]12)NCC 2344335666 BNQYCTBMKCRXQH-INMHGKMJSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC2(CC2)C1)NCC 2344336922 MRAILEYXVOUOFK-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccccc1OCCC 2344458796 BOIIXRZBPVROBX-IAGOWNOFSA-N 262.393 4.501 30 10 CJEE C=CC[C@@H](C)S[C@@]1(C(=O)O)CCC2(CCCCC2)C1 2352002173 NOHJETCPAJUCBC-CJNGLKHVSA-N 282.449 4.642 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC[C@@H](C(C)C)CC1 2352198435 QTGFPPZYCNGECB-ZBFHGGJFSA-N 284.465 4.746 30 10 CJEE CC1(C)C[C@]1(C=O)CC1CCC(CC(F)(F)F)CC1 2353173247 ZGLUOLDHKGCSEK-YIZWMMSDSA-N 276.342 4.751 30 10 CJEE CSc1cc(N[C@H]2CC[C@@H]2C(C)(C)C)ccc1C#N 2353828915 TZYGHWFAVYDHKQ-KBPBESRZSA-N 274.433 4.517 30 10 CJEE O=C[C@@]1([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CCC2 2355392820 QDACKNQWAKVHGY-HGTKMLMNSA-N 282.374 4.597 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1[C@@H]2CCCO[C@@H]21 2355555127 WATDPGPZUYXHSC-MHORFTMASA-N 281.484 4.530 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2357492391 QSJZNQNHGHYJDP-GBESFXJTSA-N 269.432 4.504 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCCC)[C@H](C)CC1CC1 2360320370 GLHSIQIBIIJORJ-BPQIPLTHSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)CC1CC1 2360339645 KRSDSOUWNASUPE-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE CC(C)[C@H](C#N)c1ccc(NC(=O)Nc2ccccc2)cc1 407363 ODFZYAXNJFZSSE-KRWDZBQOSA-N 293.370 4.594 30 10 CJEE Cc1ccc(N/N=C/c2ccccc2Cl)cc1Cl 6674028 UDBQGLDTBAVODA-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1ccc(F)cc1 37089343 PTOYZWWGJNPPGL-INIZCTEOSA-N 286.325 4.708 30 10 CJEE N#C[C@H](C(=O)CCC1CCCCC1)c1cccc(Cl)c1 37344492 LDTSZHPQYYRHRJ-INIZCTEOSA-N 289.806 4.877 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2OC)C1 41030606 RLCHOESOOAGARD-DVOMOZLQSA-N 275.417 4.506 30 10 CJEE C[C@@H](C[C@H](C#N)Nc1ccc(Cl)cc1)c1ccccc1 43535208 OKUMCLQBRTUOAP-SUMWQHHRSA-N 284.790 4.838 30 10 CJEE Cc1ccc(C)c([C@H](C#N)Nc2ccccc2Cl)c1 49670633 AAUYJGPZIOSQDW-INIZCTEOSA-N 270.763 4.634 30 10 CJEE Cc1ccc(Oc2c(C#N)cnc3ccccc23)c(Cl)c1 54351060 CTDHLYBFGVJDSV-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)CCc1ccco1 59090260 FFOMUFGHBUQBLM-CVEARBPZSA-N 265.441 4.939 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc2c(c1)CCO2 59290859 YAJMUAGTFMJKIK-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCOc1c(Cl)cc(Cl)cc1CN 59300115 CNTFSAWKANPZLC-UHFFFAOYSA-N 290.234 4.801 30 10 CJEE C=CCC[C@H]1NCCc2cc(Oc3ccccc3)ccc21 83706267 ISFZOFATQUHWII-LJQANCHMSA-N 279.383 4.632 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(N2CCCCCC2)CC1 86951985 WLQMLZNTPXYTNC-DLBZAZTESA-N 262.441 4.505 30 10 CJEE COc1ccccc1OCCC1(C#N)CCC(C)(C)CC1 88415885 OVOFSXBESVXJFC-UHFFFAOYSA-N 287.403 4.574 30 10 CJEE C[C@H]1CCC[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91875775 QBVMWSLEXVRBIP-OBHHBEAMSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)c2ccsc2)CC1 91880682 NWGFGEHKBITNPF-NPCAHTBFSA-N 277.433 4.528 30 10 CJEE CC(C)[C@@H]1CCCN(CC2(CS)CCCCC2)CC1 94581678 VOISXBBOJIFROH-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE SCC1(COCc2ccc(Cl)cc2)CCCCC1 94585891 IGZVJURNSXKVAK-UHFFFAOYSA-N 284.852 4.737 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCCOC1 104162028 OZSMSRNNFOFNNK-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE Oc1ccccc1/C=N\C1c2ccccc2-c2ccccc21 106435150 KOQVADMPNVOTRF-BKUYFWCQSA-N 285.346 4.581 30 10 CJEE CCCCCCCCCO/N=C(\C)c1ccc(N)cc1 106616954 UNUGGKDFDJBYQW-XDJHFCHBSA-N 276.424 4.760 30 10 CJEE CC#CC[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579077 JAQAEDBYCDOXQH-MRXNPFEDSA-N 264.368 4.783 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OC)cc1Cl 107667534 RHPVQDFZDGYHHV-VXGBXAGGSA-N 250.769 4.502 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cccnc1 109722078 BRPSDOZCRHEEHG-KRWDZBQOSA-N 262.441 4.873 30 10 CJEE Cc1c(Cl)cccc1Nc1ccc(C#N)cc1Cl 110251608 OGPUYOIKADEIJD-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCc1ccc(N(C)c2cccc(Cl)c2C#N)cc1 110257426 MIDAHBPRQAXPRY-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC(C(C)(C)C)CC2)C1 110265340 HSLFTHRZBQZEIW-JFIYKMOQSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1CCCO1 114993988 ICCIAGNJGMTCJQ-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC1(C(=O)O)Cc2ccccc2C1 116257421 SPAVCTOBSSJKPU-UHFFFAOYSA-N 288.431 4.997 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccccc1C)NN 125830866 WOMUAEYBGBJHFR-LJQANCHMSA-N 290.495 4.900 30 10 CJEE CCc1ccc(COc2c(C#N)oc3ccccc23)s1 126064355 JMOCMMWUONKXDC-UHFFFAOYSA-N 283.352 4.507 30 10 CJEE CCCCCCCCn1c(S)nc2c(C#N)cccc21 126110106 FXGGDMYCBGENPB-UHFFFAOYSA-N 287.432 4.557 30 10 CJEE CCCCCCCCCc1onc(N)c1-c1ccccn1 127013162 JOWPGLDCNOMHMQ-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(Cl)s1 128747139 WUVGLVVWYNPTCI-NSHDSACASA-N 257.830 4.799 30 10 CJEE CCCCCCCCCCNc1ccc(C(N)=S)cc1 129343462 MCNLHNVXCFYPLY-UHFFFAOYSA-N 292.492 4.873 30 10 CJEE C#CCCC[C@H](NCCC)C1CCC(CCC)CC1 134051039 JEBKWSNBAFAOCS-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC[C@@H](N)CCc1cccnc1 143469250 JZPRJOWFSQXKIP-GOSISDBHSA-N 276.468 4.872 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(OC)cs1 159123820 PLGRUGYJYKUVHX-CYBMUJFWSA-N 255.427 4.507 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cc(Cl)ccc1F 161106398 KRUOQBGNHFTQJN-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCOCc1ccc(C(=O)O)cc1C 166320998 XYIUEYAKPOZNOX-UHFFFAOYSA-N 278.392 4.570 30 10 CJEE Cc1cc(C#N)ccc1Cn1ccc2ccc(Cl)cc21 166356530 LTOWJMBQXYIYSE-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@@H]1C1CC1 166364881 MUYWUCDOYFJCEJ-MJGOQNOKSA-N 295.511 4.920 30 10 CJEE CC[C@H](C)CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 167445288 ZBYIINPUKUJLJC-VHSXEESVSA-N 284.186 4.606 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(O)cc1 168460788 PDYMAEQHVDGIIU-KRWDZBQOSA-N 264.409 4.956 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCC[C@@H](N)C1 169135372 KIDQODPOCFWLCY-HZPDHXFCSA-N 267.457 4.604 30 10 CJEE Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2ncccc2c1 183315926 NFOLDELRZQSNEN-AWEZNQCLSA-N 287.366 4.588 30 10 CJEE Cc1cccc(C#N)c1Oc1ccc2c(c1)CCCC2 221147242 QLMOZIDESRNTEV-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)CCC[C@H](C)N 226398077 DUWARBMDOUMPCE-CVEARBPZSA-N 269.473 4.850 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 227202662 OXCXNXXRTHUOPM-SUNKGSAMSA-N 265.809 4.760 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](NC)c2ccc(F)cc2O1 229331608 VFNMUPZZDBWTDS-WMZOPIPTSA-N 293.426 4.988 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cccc2ncccc12 231098190 KXEDRTGXKPBSMQ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCOc1cccc([C@H](N)CC)c1 232940010 VFWYXQXFUHCVPT-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCO[C@@H]1CC 232993001 YFTJVDKTNLAKAH-IXDOHACOSA-N 269.473 4.530 30 10 CJEE Cc1cccc(NCc2cc(Cl)cc(Cl)c2)c1C#N 235901396 JRTUXJMQAGXWEV-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)C 250723971 GVAJUHANGBGDRX-OWCLPIDISA-N 251.458 4.639 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1[C@H]1CCCC1=O 250839954 XCYFLZNLZCKREJ-QZTJIDSGSA-N 293.495 4.961 30 10 CJEE Cc1csc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)n1 252436285 ODJPFLNRTIOKAD-RWMBFGLXSA-N 294.489 4.898 30 10 CJEE CCC(=NO)c1ccccc1OC1CCC(CC)CC1 252473952 YDTLIRBFYWHXJA-UHFFFAOYSA-N 275.392 4.623 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1N 253624184 DBNXUNKVOUJWKG-IPMKNSEASA-N 289.463 4.637 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCC(C)C)C1 300441027 PGRJTSCRDCNULI-RBSFLKMASA-N 253.455 4.874 30 10 CJEE CN[C@H](CC#CC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 311359918 BAIJCFGCXLJSNU-CYBMUJFWSA-N 298.257 4.564 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C(C(C)C)C(C)C 311413325 ZTSADLAPJPYQKH-MRXNPFEDSA-N 265.485 4.722 30 10 CJEE CC1(C)CCC([C@@H](C#N)Nc2cccc(Cl)c2)CC1 311551597 IVFKJWJEENABPT-OAHLLOKOSA-N 276.811 4.860 30 10 CJEE CO[C@@H]1CCC[C@@H]1C1(C#N)CCC(C(C)(C)C)CC1 382517307 UXRZOUYFWPTGRK-KRIMKBQASA-N 263.425 4.548 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)c(F)c1 387422003 GGCSMJXYXJZRPO-INIZCTEOSA-N 299.817 4.503 30 10 CJEE N#CCc1csc2c(Cl)c(C(F)F)ccc12 396199107 QIJXHQUHHNSZAB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCNC[C@@H](C)CC(F)(F)F 397028713 WSRGGSBXFXWPNQ-LBPRGKRZSA-N 253.352 4.525 30 10 CJEE CCCCCCCCCCN1CCC[C@H](C)[C@H]1CCN 404256689 AYWNYOKGUUDURJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccccc1C 526858305 NBMKXJHOVOSGEQ-LJQANCHMSA-N 280.477 4.994 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc2c(s1)CCCC2 686690740 AOMSZCXJKBKCAM-INIZCTEOSA-N 289.488 4.861 30 10 CJEE C#CCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 686692419 CHQRMJITELSCFB-CQSZACIVSA-N 270.203 4.577 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC(C)(C)c1ccccc1 686736658 QJEQTBCVMMPYMD-CRAIPNDOSA-N 258.405 4.750 30 10 CJEE C[C@H](CC1CCCCC1)Nc1cc(C#N)ccc1Cl 689778937 RZEKOGQPYXCEHV-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE C[C@@](O)(CC1CCCC1)C1(C#N)CCCCCCC1 689827908 FYSUTYWSIJEZGU-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CCSc1cccc(NC[C@H](C#N)c2ccccc2)c1 690159288 PWTZQKCEKWCHQN-HNNXBMFYSA-N 282.412 4.518 30 10 CJEE CCCCCCCOC(=O)c1cc(Cl)cc(F)c1F 690969465 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C=C(COC(C)C)[C@@H](C[C@H](CC)C(C)(C)C)NCCC 711110228 GQBYBKPKLXMDPK-DLBZAZTESA-N 283.500 4.798 30 10 CJEE O=C(C1=CCCC1)c1ccc(Cl)cc1C(F)(F)F 712594340 LSYKGIGGXGQXSJ-UHFFFAOYSA-N 274.669 4.652 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)COC)NCC 712626137 NOVNRAUDILTXQI-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCCCNCC1(CO)CCC1 717630981 ADWINGDYCKTWPJ-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)C[C@@H](C)CO1 718380632 CWUQSWISHVZFNR-WBVHZDCISA-N 269.473 4.530 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC(C)(C)[C@@H]1NC 719227525 RXLVXHIVPANVPR-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)N1 723661151 VZCPGAHRGNBAIG-SOUVJXGZSA-N 294.508 4.597 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](CC)CC[C@H]2CNC)CC1 724620041 ZHMYMXAGMDFPHY-NJAFHUGGSA-N 263.469 4.785 30 10 CJEE Cc1ncsc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1 755707507 ZTXDOXUDJCTLMW-NSCUHMNNSA-N 298.194 4.654 30 10 CJEE CCc1ccc(/C(=N/OCc2ccc(C)cc2)C2CC2)cc1 821226858 LUCMXIVHHZHPBQ-MRCUWXFGSA-N 293.410 4.888 30 10 CJEE 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284.325 4.753 30 10 CJEE C[C@H]1C[C@H](Nc2cc(Cl)c(F)cc2C#N)CC(C)(C)C1 2184457429 DEGILMLDFSRCAM-JQWIXIFHSA-N 294.801 4.977 30 10 CJEE CN(CC(C)(C)C#N)C1CCC2(CCCCCC2)CC1 2185825234 FOKFUOYQTQXAEM-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE C=CCC[C@@H](C)[C@@]1(CNC(C)(C)C)CCCOC1(C)C 2187027488 LUHQLJQLUDBNSV-QAPCUYQASA-N 281.484 4.552 30 10 CJEE CC1(C)CC[C@]1(C=O)Cc1csc(C2CCCCC2)n1 2188520645 UIOPYTSZTLDTNZ-QGZVFWFLSA-N 291.460 4.739 30 10 CJEE C=CC1(CN[C@H]2CCc3ccc(C)cc32)CCCCC1 2189513594 WKJHPHYGDOKWGM-SFHVURJKSA-N 269.432 4.708 30 10 CJEE CC[C@H]1CC[C@H](COc2c(C)cc(C#N)cc2C)CC1 2193073082 WHUSWNUCFURYCL-WKILWMFISA-N 271.404 4.770 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCCCC(F)(F)C1 2194062404 DEYNSLRWIWKAOQ-CVEARBPZSA-N 285.422 4.764 30 10 CJEE CCCCCCCCN(C)c1nc(C(C)C)c(CO)s1 2196730233 SYSDZEZPHCCHRX-UHFFFAOYSA-N 298.496 4.556 30 10 CJEE C#CC[C@H](CC1(CN)CCC(C(C)(C)C)CC1)C1CC1 2196849749 RGJDOIZASQNSNY-LRYGQEGESA-N 275.480 4.607 30 10 CJEE C#CC[C@H](C[C@H](NCCC)C1(C)CC(C)(C)C1)C1CC1 2196855815 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4.922 30 10 CJEE CCCCCCCCO[C@H]1CC(=O)C12CCCCC2 117298939 DWRFYLNVXCTKBK-INIZCTEOSA-N 266.425 4.655 30 10 CJEE CCCCCCCC[C@H](CCc1cccc(C)c1)NN 122436478 WUCUGGICMCSBKH-GOSISDBHSA-N 276.468 4.510 30 10 CJEE CCCCCCCCCCNCCC[C@H]1CCCO1 124828718 OHRYASWINYOXLL-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](OC)C(C)C 127986903 BAXLVSJLSFIGKP-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCOc1ccc(C=O)s1 143041225 GXIKNGZVPUQHGG-UHFFFAOYSA-N 254.395 4.690 30 10 CJEE CCCCCCCC[C@H](N)[C@H](OCC)c1ccccc1 158536537 LZGLHNFKFUAHLY-ZWKOTPCHSA-N 277.452 4.842 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCCC)cc1Cl)C(C)C 162261694 VJACTRBAQHJNAX-CQSZACIVSA-N 294.870 4.801 30 10 CJEE C[C@H]1CCC[C@H](SCc2cc(F)cc(C#N)c2)C1 163776498 BLYBVHWQDKFLBA-NHYWBVRUSA-N 263.381 4.509 30 10 CJEE Cc1cc(C#N)ccc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 165549462 GHLADBZHEBAGFQ-SUMWQHHRSA-N 271.404 4.598 30 10 CJEE C=CCCC[C@H](NC)C1CCC(CCCC)CC1 167718826 OQXPPIYFIRFLCI-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)c1ccccc1 219677889 IUZIPYXMIPELRF-SFHVURJKSA-N 276.468 4.591 30 10 CJEE Cc1ccc(Oc2cccc(C#N)c2)c(C(C)(C)C)c1 227633462 FCUGIJYEXCSZPS-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CC(C)(C(=O)C1=CCCCCCC1)c1ccc(F)cc1 232490091 MYINVVBWVPIYNP-UHFFFAOYSA-N 274.379 4.953 30 10 CJEE CCCCCCC[C@H](NC)c1c(C)cc(C)cc1OC 232926228 IFAAVVJEVPZXPY-INIZCTEOSA-N 277.452 4.933 30 10 CJEE CCCCCCCC[C@H]1NCCc2ccc(OC)cc21 232931385 OSKSXRQIWADHHI-GOSISDBHSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCN[C@H]1CC[C@H](SC)C1 232950525 MIRGXRYICGMKEF-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@@]1(C=O)CCOc2ccccc21 316587811 DYIITVOWSIFBCT-SFHVURJKSA-N 274.404 4.656 30 10 CJEE CC1CCC(C=O)(CCSc2ccccc2)CC1 316855471 UYKMMDGEMSLHOV-UHFFFAOYSA-N 262.418 4.564 30 10 CJEE C=CCCCCCC1(CNC)CCC(CC)CC1 317089839 WMFLKLHXLKNBOH-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CCC[C@H]1C 319145371 CSCCQLXVTXGMLH-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cnc(C)n1C 380268258 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C[C@@H](/N=C1/NC2(CCCCCC2)CS1)C1CCCCC1 713213478 FSJUDUXLZPGGRW-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1(OCC)CCC(C)CC1 715751838 FHBVHVUQQVPHMZ-QLOLRVAOSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCC[C@@]1(N)COC[C@@H]1CC(C)C 716272366 RQMWETHQKYULJN-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@H](O)c1cscc1C(F)(F)F 717257477 QZHQKLNJQJDUQH-GFCCVEGCSA-N 278.339 4.937 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC2(CSC2)C1 718440700 XBLQMZNLHHXRHH-INIZCTEOSA-N 281.509 4.634 30 10 CJEE Cc1cc([N+](=O)[O-])c(C#N)cc1SCC(C)(C)C(C)C 718782853 KEQBXHCGTDCIGS-UHFFFAOYSA-N 292.404 4.549 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@H](SCC(C)(C)C(C)C)C1 718870602 SSUZFWJYWLJROI-RDJZCZTQSA-N 296.524 4.606 30 10 CJEE C#CCCCn1ccc2c(OCc3ccccc3)cccc21 720860467 BKHHINBBYCZQRK-UHFFFAOYSA-N 289.378 4.634 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 723625791 OVJUCLGERDPBEU-HZSPNIEDSA-N 288.822 4.982 30 10 CJEE CC1(C)OB(/C=C2\CC[C@@H]3CCCC[C@@H]3C2)OC1(C)C 723642976 FSEXWWGUEOEYHD-LTNMDHOVSA-N 276.229 4.535 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C#N)C[C@H](C)O[C@H](C)C1 724251433 MFFBXDCXONVSFD-IMRBUKKESA-N 273.367 4.545 30 10 CJEE C=C1CCC(CN[C@@H](CC)c2ccc(F)cc2)CC1 724446288 FVZQYXMNFQBKKN-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2CCSC2)NCCC)CC1 724567548 KOXQENFOOQYIAV-IRXDYDNUSA-N 281.509 4.634 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H](C)C(C)(C)C)CC1 724618231 VERFIYWXMJGYDZ-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE N#CCc1c(F)sc2cc(SC(F)(F)F)ccc12 725304954 GKCDSMJCSMEUIY-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE CC(CCC1CCCC1)=NNc1ncccc1C(F)(F)F 740760745 LWYWGNFQHISDQS-UHFFFAOYSA-N 299.340 4.859 30 10 CJEE C=CCN(C(=O)CC1CCC(C(C)(C)C)CC1)C(C)C 1124826588 FKVBZURLMMMVOI-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](C)C[C@@H](C)CC)c1ccccc1 1126433070 SBLWPEZKDMXHEC-BQFCYCMXSA-N 287.447 4.677 30 10 CJEE C=CC[C@H](C(=O)NCCC1=CCCCCC1)c1ccccc1 1127854542 IIJALOOIDFZLHS-IBGZPJMESA-N 297.442 4.743 30 10 CJEE C=C(C)C(C)(C)C(=O)N1Cc2ccccc2-c2ccccc21 1130315078 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Cc1cc(CNc2ccc(C(C)C)cc2)ccc1C#N 1461073834 FEPSKYZRVCUZNU-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE C=CCCCCCN(C)C(=O)NC[C@H]1CCC=CCCC1 1471567441 UNVPVZFSIPKCHB-KRWDZBQOSA-N 292.467 4.511 30 10 CJEE C=CCCCCNC(=O)c1coc2ccc(C(C)C)cc12 1518516216 IRXRAIOAVZPYJG-UHFFFAOYSA-N 285.387 4.642 30 10 CJEE C=C(C)CCSc1nccn1-c1cccc(Cl)c1 1559352136 BAKDMFRNINMTDT-UHFFFAOYSA-N 278.808 4.584 30 10 CJEE N#Cc1ccc(CCSc2cc(Cl)ccc2F)cc1 1559410322 CPJUWUHEBRKVIA-UHFFFAOYSA-N 291.778 4.686 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)CC1 1566377689 JVPLDNVWZOBRLS-LJQANCHMSA-N 297.442 4.713 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@](C)(CC)CCCCC)C1 1583961510 YMBIQZFLCFBQBI-SJLPKXTDSA-N 279.468 4.798 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CCCC)C(C)C 1587234972 ZMGAYYIEZVSKEB-BRWVUGGUSA-N 279.468 4.700 30 10 CJEE C=C(CC)C(=O)N[C@H](CCC)c1cccc(C(F)(F)F)c1 1611142752 AAHZXFXSTMBSLF-CQSZACIVSA-N 299.336 4.629 30 10 CJEE Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)c(C)c1 1614826476 VRXLONZHPPFWCL-UHFFFAOYSA-N 274.285 4.722 30 10 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284.440 4.809 30 10 CJEE CCCCCCCCCC[C@H](OCC(=O)O)C1(C)CC1 2291711691 OJWXRYLIUYBBGR-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@](C)(CC1CCCC1)OCCCN 2292795488 HLQPJBJOEAEOPN-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CC[C@H]2C[C@@H]2C1 2293264160 UYHPJFNELFPIKQ-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CCCC[C@H]1C 2293426379 WNKPIOYSUKVPDF-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CC1(F)F)OCCCN 2293535669 GOZMGDWRNMBXRA-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@]1(C)CCCS1 2294003393 LENBGBLHCSARRO-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE C=C(C)CCC1(OCCCN)CC(C)(C)CC(C)(C)C1 2294089264 MDQHIFPVPWKHOS-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCC[C@@H](CC)CC1 2294275435 MLYYLTPJNGSYDH-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@H]2CC[C@@H]21 2294356489 PAHAFIBYBCPPSL-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE O[C@]1(C#Cc2ccccc2Cl)CCC2(CCCCC2)C1 2295241431 ASMPPHVXXWUCIK-GOSISDBHSA-N 288.818 4.557 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1COC2CC1C2 2295680932 BPLLOZSYCWAZBW-RZZCCWGQSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)c1cccs1 2295687938 ZFXPHFDIOHJJHZ-HZPDHXFCSA-N 297.508 4.900 30 10 CJEE C#CCCCCC[C@](O)(c1ccccc1)C1CCCC1 2295727566 FCQGJPQWMYEVMF-IBGZPJMESA-N 270.416 4.648 30 10 CJEE CCCCCCCC[C@H](O)[C@@](C)(CC)C(F)F 2299839296 UIVGMDSLCDNEJL-GXTWGEPZSA-N 250.373 4.779 30 10 CJEE C#CCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2301230624 QWUJEOMFRXBHRE-ZDUSSCGKSA-N 271.187 4.529 30 10 CJEE CCCCCCCCCC[C@@]1(O)CC[C@@H]1SC 2307617373 LIEJAIFFVYJJPR-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE C=CC1(C[C@@H](O)[C@@]2(C)CC[C@@H](C)C2(C)C)CCC1 2309287175 YQMWKIJDGSGPDX-IIAWOOMASA-N 250.426 4.556 30 10 CJEE C=CCC(CC=C)SC[C@H](CS)c1ccccc1 2313670018 WZGAJPFHBBMJSQ-HNNXBMFYSA-N 278.486 4.954 30 10 CJEE C=C(C)C[C@H](CC1C[C@H](C)C[C@@H](C)C1)NCCC 2319293198 NITJMJJLXPMUKD-BFYDXBDKSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc2sccc12 2321103903 BJJLIRBOKFHICM-HOTGVXAUSA-N 259.418 4.894 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1CC[C@@H]1C(C)(C)C 2321105395 PAFJQDVPSJOXGD-DLTWYDFYSA-N 251.458 4.769 30 10 CJEE C=CCC(C)(C)[C@@H](CCC(C)(C)C1CC1)NCC 2321107114 DFWREJXZOKXUNP-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC1(C)CC1)NCCC 2321130752 LONMSIBXJOEZJE-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C)(C)C(F)(F)F)NC 2321148030 MHFWMFYRNJTIDJ-DGCLKSJQSA-N 265.363 4.545 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1CC2(F)F 2333706564 QIVJQEVXIFNSCC-KKUMJFAQSA-N 272.379 4.699 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H]1CCCC(C)(C)C1 2337096918 JEBRWGWKYDNVOQ-VQHPVUNQSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2c(Cl)cccc21 2337151376 OMLHGJFEKNOOSA-ZYHUDNBSSA-N 292.835 4.896 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCC(F)(F)CC1(C)C 2338731182 YACLWHQRLYUNCX-CQSZACIVSA-N 271.395 4.653 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1cccc(Cl)c1Cl)NC 2338749405 JKGRQZIFSFXFGT-OAHLLOKOSA-N 298.257 4.892 30 10 CJEE Fc1cc(NCCCC(F)(F)F)ccc1C(F)(F)F 2338841086 TYQMVIGUVYWFOD-UHFFFAOYSA-N 289.194 4.599 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccccc2C2CC2)C1 2341684021 YNYAQWWKANLXMA-KSSFIOAISA-N 256.389 4.502 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2343128633 YOEYKPRWSOPGHN-ZWNOBZJWSA-N 280.774 4.587 30 10 CJEE CCCCCCCCCOC[C@](C)(CC)CNCC 2343151602 QOCYPOITOIBISV-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@]1(C)CCCC1(F)F)NCCC 2344349353 RZLPLYNPKYKADG-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)C1=CC[C@H](C(C)C)CC1 2344376343 GEOKPRXQPQWBGF-RDJZCZTQSA-N 263.469 4.949 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccnc(C(F)F)c1C 2344421804 UIYWOWPNDBTWIE-HNNXBMFYSA-N 267.319 4.503 30 10 CJEE CC(C)O[C@H]1CCC[C@@H]1C1(C=O)CCCCCCC1 2344785550 MYTMZLIPVVOVBB-HOTGVXAUSA-N 266.425 4.510 30 10 CJEE CC(C)(C)CC1CC(OCC2(CS)CC(C)(C)C2)C1 2345007493 BNCNPDHCQLRJDV-UHFFFAOYSA-N 284.509 4.954 30 10 CJEE CN[C@H](C#CC1CCCC1)c1c(Cl)cc(C)cc1Cl 2353052761 WMFJVHXBEMIERT-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE N#C[C@@]1(C[C@@]23CCC[C@@H]2CC3)CCCc2ccccc21 2359823155 BKZGUELWNMGDNE-NEWSRXKRSA-N 265.400 4.755 30 10 CJEE C=CCC(CC=C)SCc1ccc(N)c2cccnc12 2360198924 PZLRBXRMWIKRTO-UHFFFAOYSA-N 284.428 4.571 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)C1CC2(CC2)C1 2360206368 WSMDSHCUBAEVCK-QGZVFWFLSA-N 293.520 4.799 30 10 CJEE C=CCC(CC=C)OC(=O)c1csc2c1CC[C@H](C)C2 2360213337 SDXNSIOUUYHANG-LBPRGKRZSA-N 290.428 4.551 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1oc2ccccc2c1C 2360342716 HRRNXMAWFBPCCO-CQSZACIVSA-N 269.388 4.913 30 10 CJEE Clc1ccc(/C=N/Cc2ccccc2)c(Cl)c1 5682036 AFYVQIUGFLPWGU-LICLKQGHSA-N 264.155 4.613 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 37256596 VCZURQJNHMMTEM-MFKMUULPSA-N 282.309 4.568 30 10 CJEE COc1ccc(Nc2cccc(Cl)c2C#N)cc1Cl 48775399 CZLRZSFNIGWXFJ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCC[C@@H](C)N[C@H](CC#N)c1ccccc1 55018030 IZZYDSSEOGJAAX-NVXWUHKLSA-N 258.409 4.590 30 10 CJEE Cc1cc(C)cc(OCC[C@@H](C#N)c2ccccc2C)c1 57686969 XUQIDPJCTBFKCO-KRWDZBQOSA-N 279.383 4.688 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2cccc(C)c2C)c1 57695452 ZZKHIGZPQWSWMN-GOSISDBHSA-N 293.410 4.997 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1c1cccc(Br)c1 62670622 YIPIPCACROMLKR-JSGCOSHPSA-N 278.193 4.637 30 10 CJEE C[C@H](CS)CSc1ccc(Cl)c(Cl)c1 87098353 PSOKAKKICYAMJZ-SSDOTTSWSA-N 267.246 4.651 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCc3ccccc32)cc1C 87930027 FGDVJYZHCCNTRS-HXUWFJFHSA-N 275.395 4.644 30 10 CJEE CCC(CC)(CS)CSc1ccc(F)c(F)c1 94588909 QNELJXHPYIGBHZ-UHFFFAOYSA-N 276.417 4.793 30 10 CJEE CCCCCCCNCc1ccc2ccccc2c1 106260003 AXQGNHKMAFTPCI-UHFFFAOYSA-N 255.405 4.900 30 10 CJEE CCCOc1ccc(C(F)(F)F)cc1[C@@H](C)CCS 107475488 RXFFTCVWUQPVAC-JTQLQIEISA-N 292.366 4.918 30 10 CJEE CCCCCCCC[C@@H](CNC)Cc1ccccc1 110182225 KHFXBHJRFBNMIE-GOSISDBHSA-N 261.453 4.815 30 10 CJEE CCCCCCCCCC[C@]1(CNC2CC2)CCOC1 110213434 BFFMAKQQLTTXOF-GOSISDBHSA-N 281.484 4.676 30 10 CJEE CCCCCCCCOCCN[C@@H](C)CCCCC 110239521 TZGXRLNDSGRPBJ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2F)cc1C(F)(F)F 110257073 HNEGUFCNEQOZCM-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCCCN[C@@H](C)CN1CCCCC1 113012499 JAQRAXPSCYPDJN-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)ccc1F 113315988 DMORUPLAJNHNJV-OAHLLOKOSA-N 256.336 4.749 30 10 CJEE CCCCCCCCCN1CC[C@@H](N)c2ccccc21 113831292 HZYIRZHUSQQWLS-QGZVFWFLSA-N 274.452 4.647 30 10 CJEE CCCCCCCCCn1c(CNCC(C)C)cnc1C 115674190 SKKOSMZPHTTXDN-UHFFFAOYSA-N 293.499 4.688 30 10 CJEE CCCCCCCn1ccc([C@@H](CC)NCC)c1 118242955 SIEVEWXOGNREOB-MRXNPFEDSA-N 250.430 4.519 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2c(s1)CCCC2 122354019 ILMMXKNPCSUNPR-OAHLLOKOSA-N 294.508 4.882 30 10 CJEE CCCCCCCCCC[C@H](NN)C1[C@H]2CCCC[C@H]12 122679906 ZRNRHTFHAORMQI-ULQDDVLXSA-N 280.500 4.785 30 10 CJEE CC#CCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC 124748294 JIWXLCYOWFZATJ-NRFBVMONSA-N 287.491 4.765 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(F)ccc1Cl 127683869 VKLRYIRVQALFKP-OAHLLOKOSA-N 286.822 4.734 30 10 CJEE CCCCCCCCCCCCNc1cnn(C)c1 128336724 UFFRYKRLUPJHEP-UHFFFAOYSA-N 265.445 4.753 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccncc1F 129386441 ANQJCNWECUNNQL-INIZCTEOSA-N 266.404 4.622 30 10 CJEE C#CC[C@H](CC)N[C@@H](CCC)c1ccc(Cl)cc1 129758897 QFESTUAOPRKVTC-HOTGVXAUSA-N 263.812 4.573 30 10 CJEE CCCCCCCCNc1cccc(SC)c1C(=O)O 137169549 REMKHOWSGURTSR-UHFFFAOYSA-N 295.448 4.879 30 10 CJEE CCCCCCCCCCC(=O)c1cscn1 150290338 QZZTWMXKEZQKCO-UHFFFAOYSA-N 253.411 4.857 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cscn1 157313477 CHQGZJWZFRWQJK-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CCCCCCC[C@H]1CC(=O)c2cc(F)ccc2O1 164895081 OXOCNAKADUFLSJ-ZDUSSCGKSA-N 264.340 4.520 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccc(Cl)c(Cl)c1 165170819 VUGZGIUXHBXXGU-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCSc1cccc(NC2CCC(C)CC2)c1C#N 167573697 LACJJBGHHJBNAU-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](OC)c1ccccc1 167956858 GBCMAANPSRBLCX-QZTJIDSGSA-N 277.452 4.713 30 10 CJEE CCCCCCCCCNC[C@]1(C)CCCS1 167997396 FWHVEQLCEBVJEL-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CC(C)(C)C1CCC(Nc2ccc(C#N)cc2F)CC1 168278591 HHNNCIACIIJVPV-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2cccc(C#N)c2)c1 227634784 PUAQAQIFRDMBFR-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CCCCCCCCCCNc1cncc(NC)c1 228343338 NQJIREQBIVQZNY-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE N#Cc1c(Cl)cccc1OCCCCc1ccccc1 228444504 BVHHNTYXGHNUKE-UHFFFAOYSA-N 285.774 4.613 30 10 CJEE CCCCCCCCCCCCO[C@H]1CNCC[C@@H]1C 230200055 JXBROPYTLGZVNR-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CC(C)(C#N)CCCCOc1ccc2ccccc2c1 232522664 LDJGVJPERPBNOO-UHFFFAOYSA-N 267.372 4.939 30 10 CJEE CCC(=CC(=O)C[C@@H]1CCCc2ccccc21)CC 232866150 MMQBXIUPSGIUPV-INIZCTEOSA-N 256.389 4.812 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@@H](SC)C1 232948641 UMYRXRRFOQNUDY-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE CCCCCCCCCCNCc1cc(F)ccc1O 232950350 HGGYPCACVZSKTA-UHFFFAOYSA-N 281.415 4.762 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@H](OC)C1 232959391 GUWHBJHQQLUOQE-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(C)cc1)NCC 233602970 CDBJCFQEFMGQAJ-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCCCCC[C@H](CSc1ccccc1F)NC 234449222 XRBAOWZZBRMPJE-CQSZACIVSA-N 281.440 4.642 30 10 CJEE C=C[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl 235207174 KDFXBKQWGVTMEB-ZCFIWIBFSA-N 250.556 4.633 30 10 CJEE C=CCCCCCNc1ccc(F)c(Br)c1 236197652 ZJVNMSBEMGPZFN-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C[C@@H](CC=O)c1ccc(C(C(F)(F)F)C(F)(F)F)cc1 258821093 LOOAWYRURCRRCG-QMMMGPOBSA-N 298.226 4.587 30 10 CJEE CSc1ccc(Br)cc1[C@H](CC#N)C1CC1 260286531 BFQLOQAZROVOOG-LLVKDONJSA-N 296.233 4.578 30 10 CJEE CC(C)(CNc1cc(Cl)ccc1C#N)C1=CCCC1 309866734 NAKRYQAJBAAMOO-UHFFFAOYSA-N 274.795 4.760 30 10 CJEE C[C@@H](COc1cccc(Cl)c1C#N)C1CCCCC1 311959916 ZEGXTCJDRDJZJH-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE C=CCCCCCCN[C@H](C)CCc1ccccc1 312086062 WOQNFPQHAOWBHN-QGZVFWFLSA-N 259.437 4.734 30 10 CJEE C=CCCCCCCNc1ccc(N)cc1C(F)(F)F 312696934 CSNWVMJMFVHDOY-UHFFFAOYSA-N 286.341 4.836 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCOc2ccccc2)C1 316786785 GZRSDWGRWBMZEL-FUHWJXTLSA-N 274.404 4.631 30 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CJEE C[C@H](C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 399154368 ILZKIMASXHOASS-KOLCDFICSA-N 298.213 4.852 30 10 CJEE N#Cc1cc(-c2cc(Cl)ccc2Cl)ccc1F 514260979 IONHGWCNLBRNFG-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=NOCc1ccc(F)cc1)C2 585656441 DOJRVNPEQYTUIW-SUMWQHHRSA-N 275.367 4.545 30 10 CJEE CC(C)(C)N1CC[C@H](c2ccccc2C#N)c2ccccc21 616589653 KAIBNLLTAQPOHR-QGZVFWFLSA-N 290.410 4.699 30 10 CJEE C=CCCCNC(=O)c1sc2cccc(C)c2c1Cl 684127727 OQRVZHJYYOFQTL-UHFFFAOYSA-N 293.819 4.559 30 10 CJEE C#CCCCCC[C@H]1CCCC[C@H]1CNCC(C)C 686693356 RSUMKDVXAMUGFU-ROUUACIJSA-N 263.469 4.622 30 10 CJEE C#CCCCCC[C@@H]1CCCC[C@H]1CNC(C)(C)C 686693458 SSRZRAJBZQRBRW-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC(=O)c1scc2c1OCCO2 691455257 WPYPXUGXMJUVMT-UHFFFAOYSA-N 296.432 4.843 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@@H]21 691780428 VESRMKZQZGRZCX-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)cc(C)c1 692273581 VSBFFXLYSDVTPL-ZWKOTPCHSA-N 257.421 4.528 30 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C=C(C)CCN(CC(C)C)c1cccc(Cl)c1 1307769517 IFHGCMHCLNHGCT-UHFFFAOYSA-N 251.801 4.769 30 10 CJEE C=C(Cl)CNC/C(=C/c1ccccc1)CCCCC 1308283120 QTCZZRCBAMKVJT-SFQUDFHCSA-N 277.839 4.992 30 10 CJEE C=CCCC1(CNCc2cnc(C(C)C)s2)CCCC1 1308464214 QRAPSWBBILLSAU-UHFFFAOYSA-N 292.492 4.883 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)CC(C)(C)C 1313001626 LJGUPLLJPKARRE-GJZGRUSLSA-N 294.483 4.635 30 10 CJEE C=CCCCCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 1459718526 RIHVSUOPSCMXGC-QGZVFWFLSA-N 282.431 4.704 30 10 CJEE C=CCC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 1472782879 UGDZTNKMNULUDD-UHFFFAOYSA-N 294.782 4.797 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F 1474698798 FJWAXGARPHLOMS-BRWVUGGUSA-N 293.401 4.760 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCCC)CCCC 1478964492 QFAOWMOUOBMNBR-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(C)c(C)c1Cl 1537404814 NHTGSKVRECKIFJ-UHFFFAOYSA-N 277.795 4.664 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc(C2CC2)oc1C1CC1 1583437495 WAVQVNWBCUFUFE-LBPRGKRZSA-N 287.403 4.509 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](C)c1cccc(Cl)c1F 1584256872 MBZMXGRHSDLLCO-MNOVXSKESA-N 284.758 4.686 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1618692228 ARJHAUYYHUAOJE-QZTJIDSGSA-N 299.458 4.679 30 10 CJEE C=CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)C(C)(C)C 1643858253 WNLXIVKGEGWWIT-ZSHCYNCHSA-N 251.458 4.735 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(-c2ccccn2)c1 1650839082 HLEXQDBMNHTTON-MRXNPFEDSA-N 280.415 4.583 30 10 CJEE C=CCC1(CNC2CC(c3cccc(F)c3)C2)CCCC1 1652462545 FMZGIYYVVSAVNA-UHFFFAOYSA-N 287.422 4.798 30 10 CJEE C=CCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1 1652479526 GLABLYQAQBGRSK-UHFFFAOYSA-N 298.357 4.792 30 10 CJEE C=CCOc1cccc(CNC(C)(C)c2ccccc2C)c1 1657425313 CJJROJHPUWMLSI-UHFFFAOYSA-N 295.426 4.585 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H](C)CCCC(C)C 1660014491 JYCSHQRCYHSFDN-IEBWSBKVSA-N 273.464 4.978 30 10 CJEE C#CCCCCCCN[C@H]1CCc2ccc(Cl)cc21 1660404210 UOODYBSKEQVXHV-KRWDZBQOSA-N 275.823 4.501 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(OC)c(C)c(OC)c1 1664862415 BMDUIHKWDLJMID-CYBMUJFWSA-N 277.408 4.559 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CC1CCCC1 1664987944 RMJDQWHCTCENGY-LPHOPBHVSA-N 271.448 4.732 30 10 CJEE C=CCCC1(CN[C@H](CC)[C@@H]2CC2(C)C)CCCC1 1665234088 YUOGNZXQKNSIMO-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CCCCC[C@H](C)N[C@H](CC)c1ccccc1OC 1665502628 VBCRZSUANNKGQH-DOTOQJQBSA-N 275.436 4.871 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CC 1667410945 KBYKSOCCSHHYTR-DOTOQJQBSA-N 286.419 4.505 30 10 CJEE C=CCCCCCCNC(=O)NC[C@H]1CCCC[C@H]1CC 1682402985 CVMUSJOQSSUDGQ-IAGOWNOFSA-N 294.483 4.639 30 10 CJEE C[C@H](C[C@]1(C=O)CCCC(C)(C)CC1)OC(C)(C)C 1876989642 MBWXEIJTYDSULA-PBHICJAKSA-N 268.441 4.756 30 10 CJEE CCCCC[C@H](CC)N(C)c1cc(C)ccc1C#N 1879295963 UTPBAVZMNYHWPZ-INIZCTEOSA-N 258.409 4.662 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCCC2(CC2)C1 1879649649 DHSYQSFIXFTDOC-SJORKVTESA-N 261.453 4.519 30 10 CJEE CC#CCCC[C@]1(CNC2CC2)CCCCC1(C)C 1879651184 QKWRMOWHGDWJJR-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1C[C@@H](C)O[C@@H]1C 1883818001 ILWTZBPUKVPJRF-BRWVUGGUSA-N 269.473 4.625 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1c(Cl)cc(C)nc1Cl 1883853610 DJSVNWCQVGLGPE-GFCCVEGCSA-N 299.245 4.627 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1CCC(C)CC1 1885238573 WNAULZDAKPBWBF-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CCC(CC=C)SC/C(C)=C/Br 1886256614 KERLGFSIAUHDEU-CSKARUKUSA-N 261.228 4.539 30 10 CJEE CC(C)(C)C#CC[C@](C)(N)c1cc2ccccc2s1 1886679946 MAAIGUAMCKWYSZ-KRWDZBQOSA-N 271.429 4.515 30 10 CJEE CCCCCCCN(C)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 1887038673 ONNKYBFODSKIQR-BRWVUGGUSA-N 264.457 4.607 30 10 CJEE C[Si](C)(C)C#CCN(Cc1ccccc1)C1CCCCC1 1887101335 VIGFVLUFZJAWIC-UHFFFAOYSA-N 299.534 4.702 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C1CCCCCCC1 1887451389 DRTSUHXUQUGLDW-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H](C)c1cc(Br)cc(OC2CC2)c1 1900526829 FYLDIZCDNFPLDI-SNVBAGLBSA-N 281.193 4.670 30 10 CJEE C=C(C)CC[C@H](N)c1c(Cl)cc(C)cc1Cl 1905198736 IXQCFUFIRYQIBX-LBPRGKRZSA-N 258.192 4.658 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCC2(CC2)C1 1907093933 KOHQUASUNKRYFA-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@@H](CC)c2ccc(Cl)c(Cl)c2)C1 1918876850 XJVGTYKAFCBDRV-KFNAQCHYSA-N 296.241 4.836 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc2c(c1)C[C@H](C)O2 1919906053 VOLWKNBNBRCJJG-KBXCAEBGSA-N 276.420 4.578 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(Br)o1 1919967202 OKFIGGDPVSBHBX-CYBMUJFWSA-N 289.213 4.610 30 10 CJEE C=C([C@@H](O)c1cc(-c2cccs2)cs1)[Si](C)(C)C 1922972406 ZMYQGGRICMEUHT-CQSZACIVSA-N 294.517 4.944 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CC(C)(C)CC[C@H]2C)C1 1926340182 UFTLVGJVPNRQKC-VQHPVUNQSA-N 276.468 4.605 30 10 CJEE C=CC[C@H](NCCC)c1cc(Cl)c(Cl)s1 1934793094 QXTCMAQAHCTVQR-VIFPVBQESA-N 264.221 4.672 30 10 CJEE C[C@H](C#N)CCCc1ccc(NC(=O)OC(C)(C)C)cc1 1951379165 FCKLKUPOPQEWLP-ZDUSSCGKSA-N 288.391 4.516 30 10 CJEE C[C@H]1CCC[C@@H](CCOc2cc(Cl)cc(C#N)c2)C1 1969517656 JLBCXYRMQNFBGE-STQMWFEESA-N 277.795 4.807 30 10 CJEE N#Cc1ccc(N2CC[C@@H]3CCCCC[C@H]3C2)cc1Cl 1973621852 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IHOBFTAENYDYNF-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE C=C[C@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C1CC1 2040409402 LKTTUBCUJOEEPS-PELKAZGASA-N 288.193 4.748 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cc2ccc(F)cc2s1 2040531072 VKSUHPQBJPWCGV-MEBBXXQBSA-N 263.381 4.643 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1csc(C(F)(F)F)c1 2040531243 WUYDPGQAWRSBGI-CABZTGNLSA-N 277.355 4.630 30 10 CJEE C=CC(C)(C)CN[C@H](CC)C1CCC(C)(C)CC1 2040681994 YNQXLDKKRDDICM-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(C#N)CCS[C@H](C)C2)C1 2041719932 JOPJXULJXUVFOG-DGADGQDISA-N 265.466 4.874 30 10 CJEE C=CCCCCC[C@H](N)c1cc(C(F)(F)F)cs1 2043011594 LIMMOBVTQNEPIM-NSHDSACASA-N 277.355 4.903 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(C(F)F)o1 2048247190 FIFZRHRSUJWISQ-UHFFFAOYSA-N 254.276 4.681 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1[C@H]2CCC[C@H]21 2048377194 VZYKVIBGKNSVNM-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CCCC[C@@H](CC(C)(C)C(F)(F)CC)NCC 2052915023 SVRVEKUZUTXCML-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE 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4.877 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@H]1CC[C@H](C)C1 2149868714 BMFHCTXSYOQBMG-YTQUADARSA-N 275.480 4.765 30 10 CJEE O=C(CC#CC1CCCCC1)C1(CC(F)(F)F)CCC1 2151980168 NOSNJJCXTDZSRO-UHFFFAOYSA-N 286.337 4.652 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC 2152857690 TXEPNUDDMVNQIY-QRVBRYPASA-N 271.448 4.905 30 10 CJEE N#C[C@@H](CNC1CCCCCCCCC1)C1CCCC1 2153464520 UBKPNGWSKASYRO-KRWDZBQOSA-N 276.468 4.799 30 10 CJEE CC1(C)CCC[C@@H](CNc2cc(F)cc(C#N)c2)CC1 2157113933 OIMDDUXFGQFCAQ-CYBMUJFWSA-N 274.383 4.716 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2157118599 VMSIGVAQKVPDTE-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](O)c1csc(C)c1C 2157225599 IXAYYXHNEHHLTD-SJORKVTESA-N 297.508 4.737 30 10 CJEE C[C@H]1CCO[C@H]1CCC1(C#N)CC(C)(C)CC(C)(C)C1 2157351073 WKCMAJNMJPAPQK-GJZGRUSLSA-N 277.452 4.938 30 10 CJEE CC[C@H]1CCC[C@@H](CNc2c(C)cccc2C#N)CC1 2159509443 LBVFISCVWRCOLV-JKSUJKDBSA-N 270.420 4.885 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCS[C@@H](C)C1 2159719670 FCTMFTCEQWTKLJ-UAGQMJEPSA-N 295.492 4.523 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncoc1CCC 2160418438 MGKIRZRRVCZBKO-OAHLLOKOSA-N 278.440 4.804 30 10 CJEE CCCCCCCC[C@@H](NCC)c1nc(C2CC2)ns1 2163427228 DTJADXOWFIIOQN-CQSZACIVSA-N 295.496 4.817 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccc(-c2ccccc2F)o1 2164166053 PQCVYIOWSCPLRI-SJKOYZFVSA-N 273.351 4.558 30 10 CJEE CCCN[C@H](C#Cc1ccccc1)C(CC)(CC)CC 2164278034 CXUMJRYCKRSHGP-GOSISDBHSA-N 271.448 4.623 30 10 CJEE N#CC1(CNc2ccc(C3CCC3)cc2)CCCCC1 2166295764 IPNXOVBQORIFLH-UHFFFAOYSA-N 268.404 4.840 30 10 CJEE CCC1CCC([C@@H](O)C2(C#N)CCCCCCC2)CC1 2168431742 NSZMYXBTTZPBRE-OFLPRAFFSA-N 277.452 4.818 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CCC3(CCCC3)O2)C1 2168510527 IRDDPHYZQBMPLZ-NVXWUHKLSA-N 278.436 4.654 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)[C@H]1CCCC(C)(C)C1 2168568659 LGSMQSMMIYHSOU-STQMWFEESA-N 274.383 4.714 30 10 CJEE CC1(C)CCC[C@@H](C(=O)[C@H](C#N)c2ccc(Cl)cc2)C1 2168630517 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CCCCCCCCCCN1CC[C@@H](O)[C@H]1C(C)(C)C 2185189399 ACQLCQHGXXRXAZ-SJORKVTESA-N 283.500 4.608 30 10 CJEE C=C(C)CN(c1ccc([C@H](CC)NCC)cc1)C(C)C 2186471718 AOCJPMPKUGXPHC-SFHVURJKSA-N 274.452 4.538 30 10 CJEE CCCCCCCCCc1ncc(CCNC2CC2)s1 2187989621 PVETZHQBVHTUTK-UHFFFAOYSA-N 294.508 4.731 30 10 CJEE C[C@H]1CC[C@](C)(N=C2NC3(CCCCCCC3)CS2)C1 2193324569 JZUQJMLXEKCXPD-HOCLYGCPSA-N 294.508 4.741 30 10 CJEE CCCCCCCCOc1c(F)cc([C@@H](C)N)cc1F 2194696731 HFGHAGLBMLKHIG-GFCCVEGCSA-N 285.378 4.724 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CCO[C@@H](C(C)C)C1 2195534711 FDESXPYLNYCXIR-QZTJIDSGSA-N 283.500 4.872 30 10 CJEE C#CC[C@@H](C[C@H](NCC)C1(C)CCCCCC1)C1CC1 2196836088 HQGAGIQXIVKPSG-ROUUACIJSA-N 275.480 4.765 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)c1ccc(C(C)(C)C)cc1 2196850158 UAAIIVIOOCESGB-YJBOKZPZSA-N 271.448 4.684 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2ccccc2C2CCC2)N1 2197923868 VIRJQYXCHZDAQJ-KRWDZBQOSA-N 288.460 4.693 30 10 CJEE Cc1ccc(N[C@H](C#N)[C@H]2C[C@H]2C2CCCCC2)cc1 2200282833 QRUWVIUISVWGGC-OKZBNKHCSA-N 268.404 4.516 30 10 CJEE O=CC1(C[C@H]2C[C@H]2c2ccccc2)CCC(F)(F)CC1 2200382303 OLUHIGPCBWLVKL-CABCVRRESA-N 278.342 4.575 30 10 CJEE CCCCC#CC[C@H](O)C(CC)(CC)c1ccccc1 2203780908 HNEJCDLKNIJURZ-SFHVURJKSA-N 272.432 4.689 30 10 CJEE CCCCC#CC[C@H](NCC)C1(C(F)(F)F)CCCC1 2203787113 ISAKMHDMUYICCX-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2203787439 MXNRWTHPAJICOQ-RDGPPVDQSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 2203789841 FQNNVHMOOCYQAL-VJANTYMQSA-N 275.480 4.765 30 10 CJEE C#C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C1CCCCC1 2203804436 YAWHHRZWPAJNNP-MLGOLLRUSA-N 293.813 4.712 30 10 CJEE CCCCC#CC[C@H](N)[C@@H](c1ccccc1)[C@H](C)CC 2203818420 FVILGEZXSSCMPS-NZSAHSFTSA-N 271.448 4.727 30 10 CJEE CCCCC#CC[C@H](NCCC)c1cccc(F)c1C 2203834757 SICXEFNIISXVGQ-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C=CCCCCCCOc1ccc([C@@H](C)NC)cc1C 2206893728 CNNZKIILYPKDMS-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE C=CCCCCCCC(=O)[C@@](O)(CCC)C1CCCC1 2206895265 SFHJQPKMWPUNEN-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCC[C@@H](N)C(C)(C)c1ccc(F)cc1 2206895932 YNZBOBYKQZFRIF-QGZVFWFLSA-N 277.427 4.957 30 10 CJEE C=CCCCCCCC(=O)C[C@H]1CNc2ccccc21 2206897766 OHLZARPCGSYWCB-HNNXBMFYSA-N 271.404 4.682 30 10 CJEE C=CCCCCCCC(=O)c1ccccc1OCCF 2206899428 LMFVYAMNXREHJQ-UHFFFAOYSA-N 278.367 4.744 30 10 CJEE C=CCCCCCCCC[C@@]1(N)COC[C@@H]1CC(C)C 2207413842 LIPDOQBNCUEQPV-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCCCOCCC1(NC)CCC1 2207425433 QTZMBPFANAHWGM-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2207431667 HQOJDKRFMOULKR-FXUDXRNXSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)COC2(CCC2)C1 2207440085 WLZYEYJDWUEGCL-KRWDZBQOSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@](C)(CC)N(C)C 2207441792 KVYGMSNORPHXPX-ZWKOTPCHSA-N 283.500 4.775 30 10 CJEE C=CCCCCCCCCCNCc1ncccc1C 2207445665 CFAYEXVXEBEKTH-UHFFFAOYSA-N 274.452 4.786 30 10 CJEE CCCCCCCCCOc1csc(C=O)c1 2216905192 QFLZQAWNFQIGOR-UHFFFAOYSA-N 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Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14458307 PYGSQIYNWCXQEZ-QKLQHJQFSA-N 286.378 4.693 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 19909845 BKAHLYMEZYNUKX-NSHDSACASA-N 290.288 4.750 30 10 CJEE CC(C)(C)C1CCC(Nc2ccc(C#N)cc2)CC1 21520493 VPTHUYZAYBRKPD-UHFFFAOYSA-N 256.393 4.575 30 10 CJEE CCCCCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 36991871 LGGUANOHOPJLSB-GJZGRUSLSA-N 258.409 4.568 30 10 CJEE Cc1ccc(S[C@H]2CCCCC[C@@H]2C#N)cc1C 37155475 DCSFDZZZKVTYSY-ZBFHGGJFSA-N 259.418 4.868 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(Cl)cc1Cl 37938025 WHOSUKRZAZVQIR-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE Cc1cccc([C@H](C#N)Cc2ccc(C(C)C)cc2)c1 41357492 BJUUBSBNTQUSKG-IBGZPJMESA-N 263.384 4.968 30 10 CJEE N#CCCCCNc1ccc(Oc2ccccc2)cc1 42304684 AECSIBKHWNFHFR-UHFFFAOYSA-N 266.344 4.585 30 10 CJEE N#C[C@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 54823336 DVZHGWDINFKKBU-HQJQHLMTSA-N 289.593 4.751 30 10 CJEE N#CC[C@@H](Nc1cccc(Cl)c1F)c1ccccc1 55016125 RGBRNYYPYZMCEL-CYBMUJFWSA-N 274.726 4.546 30 10 CJEE N#C[C@H](CCCc1ccccc1)c1cccc(Cl)c1 57686049 DSDJIBLMUQGKPY-INIZCTEOSA-N 269.775 4.970 30 10 CJEE CCCCCCCCCNc1ccc(NC(C)=O)cc1 59088561 NPILDSCTLIZDKA-UHFFFAOYSA-N 276.424 4.808 30 10 CJEE CCCCCCCCOc1ccc(/C(C)=N/O)cc1OC 59089420 MVRBXDSXRLFEOA-NBVRZTHBSA-N 293.407 4.633 30 10 CJEE CCCCCCC[C@H](C)Nc1cc([N+](=O)[O-])ccc1F 59456519 WDHTUOPVSLFILZ-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE CCCCC[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccccc1 61892316 JVMYFLHDHRNHTE-SQNIBIBYSA-N 270.420 4.590 30 10 CJEE N#Cc1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl 65344270 LZNYKCDUTJCDFC-UHFFFAOYSA-N 297.663 4.603 30 10 CJEE C=CCc1cc(C=O)cc(C(C)C)c1OCCCCC 66117790 PMRXTKVKHNPDKG-UHFFFAOYSA-N 274.404 4.920 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 71132146 RXINTAYCEMJCMS-RISCZKNCSA-N 297.320 4.925 30 10 CJEE CC(C)c1ccc2c(ccn2Cc2ccccc2C#N)c1 75232800 WNDKBTWIEWBOKB-UHFFFAOYSA-N 274.367 4.685 30 10 CJEE COc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 83193755 YWQWICDKESBGRO-DHZHZOJOSA-N 294.394 4.825 30 10 CJEE C=C(C)[C@@H]1NCCc2ccc(Oc3ccc(C)cc3)cc21 83708790 UWQCBKHRTRCKLQ-IBGZPJMESA-N 279.383 4.550 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Nc2ccccc2Cl)CC1 86891581 DVQRLAVDLGYZOB-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE CCCN[C@@H](C)c1cccc(SCC2(CC#N)CC2)c1 88257336 MPLHSXMQFKCZFS-AWEZNQCLSA-N 288.460 4.533 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1Cl 88513235 DVTCCXPFLYFGFZ-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE C=CCCC[C@H](Cc1cccc(C(F)(F)F)c1)NCC 88714282 VJGKYGQMNCKNDH-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C[C@H]1CC(C)(C)C[C@](O)(C2(C#N)CCC(C)(C)CC2)C1 91875910 ZDQXYONDXDWVRX-KSSFIOAISA-N 277.452 4.674 30 10 CJEE C=C(C)C[C@H](Cc1c(Cl)cccc1Cl)NCCC 92129475 JQLGKBVSQUTNIK-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE C[C@@H](OCC1(CS)CCCCC1)c1ccccc1 94583678 GAFNOLUBKMXQHX-CQSZACIVSA-N 264.434 4.645 30 10 CJEE Fc1ccc(SCC2(CS)CCCC2)c(F)c1 94588920 RHEQMYOWCCLUSE-UHFFFAOYSA-N 274.401 4.547 30 10 CJEE CC(C)c1ccc(C(=O)Nc2cc(C#N)ccc2Cl)cc1 94820440 UJQLQSRBBZMGAY-UHFFFAOYSA-N 298.773 4.587 30 10 CJEE C=CCCC[C@H](NCC)C1CCC(C(F)(F)F)CC1 97219666 PNVAGIXIYOUAQW-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCCCCCCOc1ccc(N)cc1C(F)F 104229326 OFYUJOYESCAQQY-UHFFFAOYSA-N 257.324 4.556 30 10 CJEE CCCCCCC[C@](C)(NCCC)c1nccs1 104443111 KSJPRGIJASKFOI-HNNXBMFYSA-N 268.470 4.718 30 10 CJEE C#CC[C@H](CCC)c1cc(Cl)c(C)cc1OCC 107621320 RJHGUZACTLZTPR-CYBMUJFWSA-N 264.796 4.954 30 10 CJEE CCC#CC[C@@H](C)c1ccc(OCCC)c(C)c1C 107643755 BBTIJYXCJZOXFS-CQSZACIVSA-N 258.405 4.999 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1 109712532 GOHXMLPHHSLBSY-MRXNPFEDSA-N 268.828 4.994 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(N)ccc1C 109895581 XBGSTCULNMLUFS-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(F)c1)[C@@H](N)CC 109988777 IVBPVCPZRJULMK-ROUUACIJSA-N 295.442 4.981 30 10 CJEE CCCCCCCCCN[C@H](C)c1ccc(C#N)cc1 110164348 FUCFNUOFYLCZBA-MRXNPFEDSA-N 272.436 4.959 30 10 CJEE CCCCCCCCOc1ccc(C#N)cc1Cl 110261980 JVOWSUSIJMQRBI-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H]2CCCC[C@@H]2C)C1 110264901 NEZWTSZWFGVRRN-NNPSNHGLSA-N 276.468 4.605 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@H]1CC(C)C 114063278 KAAOFNOWEZPUFL-ROUUACIJSA-N 296.543 4.691 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H]1CCCO1 114994530 QBOHUICNSYLNGC-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCc1onc(N)c1-c1ccc(F)cc1 116906940 OEISJJNELFWPAK-UHFFFAOYSA-N 276.355 4.576 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2sccc2s1 124656062 RKDPIIVUKOISKN-LBPRGKRZSA-N 277.458 4.807 30 10 CJEE CCCCC[C@H](C)Nc1cc(C#N)ccc1Cl 125650213 SWOKIXAHECZEHV-NSHDSACASA-N 250.773 4.592 30 10 CJEE Cc1ccc([C@H](Nc2ccc(F)cc2C#N)C2CC2)cc1 126317058 YNNYFVGDAOYNNC-SFHVURJKSA-N 280.346 4.569 30 10 CJEE CCCCCCCCC[C@@](C)(F)[C@@H]1CCCNC1 127030971 MUSLADTZPYWBFD-HZPDHXFCSA-N 257.437 4.855 30 10 CJEE CSc1cccc(NC2C[C@H](C)C[C@@H](C)C2)c1C#N 127070683 DMUDZLHVEXUPEB-VXGBXAGGSA-N 274.433 4.517 30 10 CJEE N#Cc1ncccc1Oc1cc(Cl)c(Cl)cc1Cl 130103307 JKWPPSBCDNNYHE-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 133173537 GKWCQFTXRVOGJM-IXDOHACOSA-N 277.496 4.867 30 10 CJEE C=C(CN[C@@H](C)c1cccc(Cl)c1)c1ccccc1 134360045 XNTODLQAENUGLS-AWEZNQCLSA-N 271.791 4.704 30 10 CJEE Cc1cc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(C)n1 157372600 ZPULIWLBDHEAQT-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cncn1C 157798975 YDEPDCMPECBRII-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H](OC)C1CC1 158236281 JWAGSHLMHUNRMI-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](CC[C@H]1CCCCO1)NC 159119502 DTRLOFKLCUMJPN-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccccc1)C1CCCCC1 162645097 XBPBIFWQLOCHBJ-YJBOKZPZSA-N 257.421 4.862 30 10 CJEE CCCCCCCCOCc1cc(F)cc(C#N)c1 163723875 FUIVPPWFOLMXNP-UHFFFAOYSA-N 263.356 4.574 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)C 169074583 BYKKWLWBDOWGKV-KURKYZTESA-N 277.496 4.867 30 10 CJEE CCCC[C@@H](CC)COc1ccc(/C(CC)=N/O)cc1 215134212 PZHUJIXXSRGRRY-IAFNSTAXSA-N 277.408 4.870 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc3c(c2)CCC3)C1 222269764 QSQAQOMUZZEXDI-SKDZVZGDSA-N 285.456 4.986 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC3(CCCCC3)CC2)C1 222805854 FASXLBRKVDWRLL-SQNIBIBYSA-N 288.479 4.751 30 10 CJEE CCCCCCC[C@H](NC)[C@@]1(OC)CCC[C@@H](C)C1 227739041 DKSVWJMTXZNBHX-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1C[C@@H]1c1ccccc1 229756889 XBJOYUYNBCFLOK-KURKYZTESA-N 257.421 4.515 30 10 CJEE C#CCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229821458 ZYHFCWQUJCJPGM-VIFPVBQESA-N 290.621 4.711 30 10 CJEE CCCCCCCCCOc1ccc(CNC)cc1F 232424785 JCEIXYSFSLKZHD-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C=CCCCCC[C@H]1CCCC[C@H]1CNCCC 233081180 ZSQHTIDLLOUSON-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 252997868 HKMRHHOCZQSVME-TVFCKZIOSA-N 280.500 4.785 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 299981202 GGUJVWSZCRVHNU-ZACQAIPSSA-N 275.436 4.978 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)C[C@H](C)CC 300521286 OYLXPTBSHXFOSE-QZTJIDSGSA-N 284.532 4.822 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@H]1SC 300668453 QBWQXBXENDOUPT-SOUVJXGZSA-N 257.487 4.609 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)cc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c1ccc(Cl)cc1 394009152 YEDGFTBVBPUZRK-GXFFZTMASA-N 296.867 4.508 30 10 CJEE CSC(C)(C)C[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 395352330 JCHHEBGZVFATQD-XOYHFGRZSA-N 297.508 4.625 30 10 CJEE CC(C)[C@@H](C#N)CNc1ccc(Cl)cc1C(F)(F)F 397505346 FGZSBMDNIHTHEW-VIFPVBQESA-N 290.716 4.566 30 10 CJEE CC[C@H](OCC[C@@H](C)CCS)c1ccccc1 403312429 ZEJFOGLSRASOHT-HIFRSBDPSA-N 252.423 4.500 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](CC)CC[C@@H]1NCCC 403820821 ALAWCSGIANZBRQ-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CC(C)(C)CC[C@@H]1NCCC 403866749 RMUTUFNVINVVOC-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE C[C@](C#N)(c1ccccc1)c1ccccc1C(F)(F)F 405609003 MHAGHUSTWQCKHR-HNNXBMFYSA-N 275.273 4.535 30 10 CJEE CC(C)C[C@H]1CCC[C@H](NCC2CCC(C#N)CC2)C1 441336739 SXVPQSCOJOHCFK-HIEASXQVSA-N 276.468 4.511 30 10 CJEE N#CCc1ccc(F)c(-c2ccc(Cl)c(Cl)c2)c1 514262640 RMJSSOOURSLBPY-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCc1ccc(CC)c(NCCCC(C)(C)C#N)c1 531648283 VJLAQFRMIQXIGH-UHFFFAOYSA-N 258.409 4.553 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(Cc2cccs2)o1 538172725 ZNIDMJXJDGYSPX-LLVKDONJSA-N 294.445 4.559 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2ccccc2)o1 539272247 IEYGVNIQBIIREZ-LBPRGKRZSA-N 274.389 4.574 30 10 CJEE COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(F)c1 587916959 ZWQRSVZLUYHWBY-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#CCCCCC[C@@H](NCC)C1CCC(C)(C)CC1 686679423 ATVKJCFONAXTNE-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC[C@H](/N=C1/NC2(CCCC2)CCS1)C1CCCCC1 687319738 DHGNFEIYGDHYAC-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccsc2Cl)C1 688036244 JIJDGCCBOPSZGB-RISCZKNCSA-N 270.825 4.730 30 10 CJEE CC1(C)CC(c2nc(CCC#N)cs2)CC(C)(C)C1 688339569 UWZOPBREFGKFAK-UHFFFAOYSA-N 276.449 4.919 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2ccccc21 692193085 QUEBPFJBHJMEDE-TZMCWYRMSA-N 272.417 4.632 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccnc(C(F)(F)F)c1 692254725 XPBDFWLNCKGXQR-DGCLKSJQSA-N 284.325 4.647 30 10 CJEE CCC(C)(C)[C@H](C)Nc1cccc(Br)c1C#N 695158258 XCWMORUYHIECMW-JTQLQIEISA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@H](O)CC[C@@H](N)c1ccccc1 695173605 HSGJZQNUOJOMPO-ZWKOTPCHSA-N 277.452 4.578 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCC[C@H]1C1CC1 695952194 AXDDQPVKRCCZSD-JKSUJKDBSA-N 274.795 4.614 30 10 CJEE C=CCCCCCCNc1cc(C(C)(C)C)ccn1 699606346 RWVMYWODDYIYOB-UHFFFAOYSA-N 260.425 4.928 30 10 CJEE C=CC(C)(C)CCN[C@H](C)C12CC3CC(CC(C3)C1)C2 701920219 OJSVUCBYNXUACN-DGTBMVLOSA-N 275.480 4.783 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc2cnccc12 702769236 RYGHAQHKSLOTED-SFHVURJKSA-N 268.404 4.632 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1Cl 714285720 GFIBAVMIXZNNRV-XGWLTEMNSA-N 288.822 4.982 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccccc2Cl)s1 719459498 UWDSEKUISAFAMI-ZDUSSCGKSA-N 276.792 4.695 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC[C@H]3C[C@H]32)CC1 724592964 WASXIKWVKMEUSI-MLHJIOFPSA-N 261.453 4.537 30 10 CJEE CC(=O)c1c(C#N)cccc1Sc1ccc(Cl)cc1 725400063 KTZSTEXKFVBVBB-UHFFFAOYSA-N 287.771 4.565 30 10 CJEE C=CCCC[C@@H](NCc1oc(CC)nc1C)c1ccccc1 880390896 YCVIFKFHVZVXHL-QGZVFWFLSA-N 298.430 4.733 30 10 CJEE CCCCCCCCCNC(=O)c1c(C)noc1C(C)C 891597048 DWHXDANMGCVTSS-UHFFFAOYSA-N 294.439 4.587 30 10 CJEE C=CCCC1(CNC(=O)[C@](C)(CC)CCC)CCCC1 1130910163 XJSHEPSWAAYKDA-QGZVFWFLSA-N 279.468 4.846 30 10 CJEE CCCCCCCCN(C)Cc1cccc(Cl)n1 1139550018 FMXCIWTUEKYJBU-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 1181007096 CTGPMURPQJCWAH-VBSBHUPXSA-N 296.458 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299.458 4.823 30 10 CJEE C=CCC1(C(=O)Nc2cccc3ccc(C)nc23)CCCC1 1455965645 ISDZICHOJBSZTM-UHFFFAOYSA-N 294.398 4.618 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(OCCC(C)C)c1 1464486229 QNPJMIMIZNYRMC-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 1467476385 ZFLWXRIZNHAITK-CYBMUJFWSA-N 298.386 4.812 30 10 CJEE C=CC[C@H]1CCCN(C(=O)/C=C(/CC)c2ccc(C)cc2)C1 1469920642 NJTMMDVCFSGOSH-SKQHNDAPSA-N 297.442 4.603 30 10 CJEE C#CCCN1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 1473444877 QFZXZLHGIIIRBF-MRXNPFEDSA-N 295.348 4.646 30 10 CJEE C=CCC[C@H](C)NCC1(c2cccc(Cl)c2)CCC1 1474672359 UPRRTEIMLOCLBK-AWEZNQCLSA-N 277.839 4.706 30 10 CJEE C=CCCC1(CNC(=O)N[C@@H](C)C[C@@H](C)CC)CCCC1 1478002974 OBLLRWNUDGQZIJ-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1cccs1)C(CC)CC 1534595197 HZGJBDQJQMHANR-INIZCTEOSA-N 279.449 4.698 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(CC=C)CCCC1 1537944364 OXJURMWZXZRINI-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C=CCCCC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 1539281962 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293.476 4.814 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC12CCC(F)(F)CC2)NCC 2173107497 KPJBQODNCVUROU-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C=C[C@@H](C)C[C@H](CC(C)(C)c1ccccc1)NCCC 2173291483 ZPIBZGVUIHMRET-SJLPKXTDSA-N 273.464 4.935 30 10 CJEE CCC#CC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2174095690 MUKXRLOVIKNUQZ-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCC#CCC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2174138535 OGJFJRIYMAGPIK-AFGAAMFOSA-N 272.432 4.746 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H](C)N1 2176063478 CHCDMVYUTJFSGH-KSZLIROESA-N 283.500 4.799 30 10 CJEE N#CC1(C[C@H]2Cc3ccccc3S2)CCC2(CC1)CC2 2176621883 QUQMGBGHVUODDY-OAHLLOKOSA-N 283.440 4.958 30 10 CJEE C=CC[C@@H]1CCCCN(c2cc(Cl)c(C#N)cc2F)C1 2177388770 QQURWSZBDXXVMO-GFCCVEGCSA-N 292.785 4.533 30 10 CJEE N#Cc1cc(F)c(NC(C2CCC2)C2CCC2)cc1Cl 2177388961 PBCUPQWKAKTATM-UHFFFAOYSA-N 292.785 4.731 30 10 CJEE N#C[C@]1(C[C@H]2CCc3ccccc3C2)CCC(F)(F)C1 2178415258 XJDDSGCNSPUSFK-BBRMVZONSA-N 275.342 4.511 30 10 CJEE 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4.595 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccnc2ccccc12 2287408307 HIGHZXZPTLFNNH-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(C)(C)[C@@H]1CCCO1 2287466850 RWEVALQAIPHJHW-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]12COC[C@H](C1)C2 2288796781 MVGDBCXDWSHQML-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CCC2(CC2)C1 2289790639 JYMPWPDKSWZVBW-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H](C)C1CCCCC1 2289875550 RBAQFTPMMNBWHR-LPHOPBHVSA-N 275.480 4.765 30 10 CJEE Cc1cccc(NCC2CC(CC(C)(C)C)C2)c1C#N 2289942765 QZHUUXHDRAETCH-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCC1(OCC(=O)O)CCCCCCCCCCC1 2290584491 PTOXLWRKPFZCEN-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCC[C@](C)(CCC1CCCCC1)OCCC(=O)O 2290602848 FEMHTAAHIQTKIN-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@@]1(OCC(=O)O)CCCCC[C@H]1CC 2291465199 NDOPZFVXCMPJIF-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)c1ccsc1 2291871547 MSUHRGJNVLFLCJ-INIZCTEOSA-N 298.448 4.815 30 10 CJEE CCCCCC#CC[C@H](CCCC(C)C)OCCCN 2292837339 VIVNRCLLOLZOIJ-GOSISDBHSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1CC2(CCC2)C1 2293686680 ZLPKCKZWWRSBCF-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE C=CCCCCCCCCC[C@@]1(OCCN)CC[C@H]1C 2293748348 PRQNGLWHSIFEIW-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCS[C@@H](C)C1 2293874657 YNMYQQZVVNGFJR-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=C(C)CCCCC1(OCCN)CC(C)(C)C(C)(C)C1 2293901160 LZCPZLDGMYONLV-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1cc(C)sc1C 2294049082 XDJRQHAMWYQFHX-KRWDZBQOSA-N 295.492 4.908 30 10 CJEE C=CCCCCC[C@](C)(OCCN)c1ccc(CC)s1 2294049966 FWRKNIFIXYNCAS-KRWDZBQOSA-N 295.492 4.638 30 10 CJEE CCCCCCCCCCC1(OCCN)CC(CF)C1 2294559114 JTHJXHGFMYQXDF-UHFFFAOYSA-N 287.463 4.611 30 10 CJEE CN(Cc1ccsc1C#N)C1CCC2(CCCC2)CC1 2294716107 ZNMIFGIBKNHQLD-UHFFFAOYSA-N 288.460 4.555 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)C#Cc2ccccc2Cl)CC1 2295205726 YEGUBCKANDUXLN-QGPMSJSTSA-N 290.834 4.659 30 10 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C=CC[C@@](C)(CC)[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NC 2344395944 LGOQLDUCSNLSOD-REWJHTLYSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)C(=O)CC(C)(C)Cc1ccccc1 2344420594 MUSGHPBIEAZQMK-UHFFFAOYSA-N 258.405 4.817 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)C[C@](C)(CS)C(C)(C)C)CC1 2352081522 DJEFZMPVZBLMBJ-BFYDXBDKSA-N 285.541 4.869 30 10 CJEE CCCCCCc1ccc(C[C@@H]2CC[C@@H]3O[C@@H]23)cc1 2353121848 MPJBIYSCLLBRDZ-BZSNNMDCSA-N 258.405 4.529 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2C[C@H]1CO2 2359108808 JWLJLAOLCKAQDG-XWTMOSNGSA-N 281.484 4.660 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@H](C)CC1CC1 2360312664 XWFOLVFGGSGNJB-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CC(C)(C)c1ccc2oc(-c3ccccc3C#N)nc2c1 22624609 DTNCGFOHIIMQFH-UHFFFAOYSA-N 276.339 4.664 30 10 CJEE CC(C)c1cc2c(cc1O)[C@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC2 32271344 POQWLCRKASQCAO-PXNSSMCTSA-N 298.426 4.501 30 10 CJEE CC(C)c1ccc([C@H](C#N)Nc2ccc(F)cc2)cc1 37935870 JVTYMASLWXWJCC-KRWDZBQOSA-N 268.335 4.626 30 10 CJEE C/C(=C\C(=O)c1c(C)cc(C)cc1C)c1ccccc1 62723560 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282.774 4.834 30 10 CJEE CCCCCCCCCCCCCC1=N[C@](C)(CO)CO1 111899629 NJFOAUTWTZYJGQ-GOSISDBHSA-N 297.483 4.867 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)C(OC)OC 123538735 DFFRZEKBNCNNFT-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE CCCc1ccc([C@H](C)Nc2ccc(F)cc2C#N)cc1 126215459 AQRIBOMISFFAGL-ZDUSSCGKSA-N 282.362 4.823 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc2c(c1)CCC2 127806317 OHNLPPJNPBGEFZ-LBPRGKRZSA-N 296.801 4.873 30 10 CJEE CCCCCCCCC[C@@](N)(CC)c1ccc(F)cn1 128839514 IGGSPEDQXUALIO-KRWDZBQOSA-N 280.431 4.925 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@]1(C)CCCO1 129273961 QZPHFQOOUICECI-ROUUACIJSA-N 298.515 4.698 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc2c1OCCO2 135355012 JCLQVTVTSWWJQN-MRXNPFEDSA-N 292.419 4.632 30 10 CJEE CCCCCCCCC[C@H](CCc1ccccn1)NC 139491282 VLUPTCFXVPHVKH-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCCCOCc1cc(CNC)sc1C 156176025 HGQKLRRNHGBNRU-UHFFFAOYSA-N 283.481 4.653 30 10 CJEE CC(C)(CCC#N)CNc1ccc2sccc2c1 157454138 ITFNQZIJPZSVFL-UHFFFAOYSA-N 258.390 4.643 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cnc2ccsc2c1 163611354 ITQRDVYZDMNFDM-HNNXBMFYSA-N 274.433 4.693 30 10 CJEE CCCCCCCCCC(=O)CNc1ccccc1 167527466 OOFHONIPDGATAH-UHFFFAOYSA-N 261.409 4.808 30 10 CJEE Cc1cccc(C#N)c1Oc1ccccc1C(F)(F)F 221135225 PPRJCYNAQNBSNZ-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CC)CC[C@H]1CNC(C)C 227519521 MDEMFKHVVBDJFH-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@@H]1CCCN(C[C@H](CS)C(C)(C)C)CC1 227737459 YTSKANDAGMQIMY-HUUCEWRRSA-N 285.541 4.727 30 10 CJEE CCCCCCCCCCCC(=O)Nc1cc(CC)n[nH]1 228359868 GHYGOPNVAOXNSS-UHFFFAOYSA-N 293.455 4.832 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC(F)F)c(Cl)c1 228817722 MYGLDEONPIPKLI-SECBINFHSA-N 275.726 4.708 30 10 CJEE CCCCCCCCC[C@@H](COCC(F)(F)F)NCC 232357932 MOPCNSZLBODGFZ-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CCCCCCCC[C@H]1C[C@@H](C(F)(F)F)CCN1 232930636 YDDAFKXKHNGUAL-STQMWFEESA-N 265.363 4.668 30 10 CJEE C[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)c2ccccc12 235251167 KIJFDRITFZVRPR-DYVFJYSZSA-N 265.356 4.669 30 10 CJEE C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(C(C)(C)C#N)cc1 235316713 AYGVVQFGXXKXLS-CZUORRHYSA-N 270.420 4.724 30 10 CJEE CCCCCCCCN1CCC[C@H]1[C@H]1CCCCC1=O 250812319 HSTVCWFFMPBCCU-SJORKVTESA-N 279.468 4.571 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1ccc(OCc2ccccc2)cc1 251045465 DQRAYOMIDGQQTR-MDYRTPRTSA-N 296.410 4.937 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252437144 UENLLCPQYIZXNB-GVDBMIGSSA-N 278.484 4.851 30 10 CJEE N#Cc1ccc(N=Cc2cccc(Cl)c2Cl)cc1 254413605 WCMKVDAFXSBTSL-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE CC[C@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 259317099 RGXOPMQXSNMNRZ-SSDOTTSWSA-N 268.794 4.542 30 10 CJEE COc1ccc(C(C)(C)F)cc1C1(C#N)CCCCC1 260293453 CSOQIFXAEHFFMT-UHFFFAOYSA-N 275.367 4.625 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1sccc1C 302253684 LSHYTWUYSMKMFX-CQSZACIVSA-N 263.450 4.537 30 10 CJEE CCSc1ccc([C@@H](C)Nc2ccc(C)c(C#N)n2)cc1 302620366 GVJCTMTYWBWUEJ-CYBMUJFWSA-N 297.427 4.547 30 10 CJEE C=CCCCCCCn1c(S)nc2ccc(F)cc21 312034424 SSQKEMDZLAQNJM-UHFFFAOYSA-N 278.396 4.601 30 10 CJEE C=CCCCCCCNc1ccc(N)c(OCCC)c1 312529386 DDARLNDZSUPKAS-UHFFFAOYSA-N 276.424 4.606 30 10 CJEE N#CC1([C@H]2CCOC3(CCCCC3)C2)CCCCCC1 312583927 UFKZCZGDMDXFST-INIZCTEOSA-N 275.436 4.980 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCC23CCCCC3)cc1 313034625 LWYHFQYJBYSACI-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CCc1ccc(CC2(C=O)CCCCCCC2)cc1 317725031 NRBOXXMPDJHJQV-UHFFFAOYSA-N 258.405 4.721 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nc3ccccc3s2)C1 382141674 CUQFPJOOJKOYSZ-WBMJQRKESA-N 270.401 4.658 30 10 CJEE C=CCCCCCCN[C@@H]1CCCc2ccccc21 382229426 UJSKTOQKERNQJJ-GOSISDBHSA-N 257.421 4.790 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cc3ccccc3s2)O1 388417596 MBWKZZSDEJJLKV-JKSUJKDBSA-N 271.385 4.599 30 10 CJEE CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 390779233 IBCYKAUEMXXELD-IPMKNSEASA-N 298.474 4.863 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H]2CC(C)C)C1 396871066 OGIZFVDHOSLJNK-BDXSIMOUSA-N 276.468 4.605 30 10 CJEE C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1Cl 446851078 AOSUIYNODJQHND-MDZLAQPJSA-N 297.229 4.726 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(Cl)cc1C 686702846 RWQFDYFFJMJTJQ-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE C[C@@H]1CCCC[C@]1(C)/N=C1/NC2(CCCCC2)CCS1 687324206 XWRMPITZRWOXIQ-ZBFHGGJFSA-N 294.508 4.741 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOC(F)(F)F)C1 688306762 ABXQLKMQHJSRLC-UHFFFAOYSA-N 277.330 4.659 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)CC2CCCCC2)C1 689822996 RNCLODXDZMVGJN-KBAYOESNSA-N 277.452 4.818 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)CC2CCCC2)CC1 689825089 ADHZLSBTASHACC-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CCc1cc(C)cc(CC)c1N=C1N[C@](C)(CC)CS1 690199129 AIUOQHSTFWEJML-QGZVFWFLSA-N 290.476 4.612 30 10 CJEE CCCCCCCCCCNCCOCC1CCC1 690452024 HRIQRNFLTMCHKH-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CCC12CCCCC2 694280768 VKBGXNAMBAMRRC-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CSc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1C#N 695872546 OXKHIIJOBQNPNE-DZGCQCFKSA-N 286.444 4.661 30 10 CJEE C=CCCSCCN[C@H]1CCC[C@@H](CCC)CC1 696138720 GLQYTSXWJHRFEX-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C[C@@H]1CCC[C@H](N(C)CC2(CS)CCCCC2)CC1 697838615 RJAKYSLCNGVZEK-CVEARBPZSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@H](CN)N1CCCC[C@H](CCC)C1 703287360 NSNLZJHUSREDKJ-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CCCC12CC2 706963006 WESRRMRRVXLUSO-DLBZAZTESA-N 280.500 4.929 30 10 CJEE C[C@H](CC(C)(C)C#N)N1CCC(C2CCCCC2)CC1 708771238 VMPGDYBEWXELSR-OAHLLOKOSA-N 276.468 4.607 30 10 CJEE C[C@H](CNc1ccc(Cl)c(C#N)c1)CC(C)(C)C 709152235 GIOALSDKSHFEBK-NSHDSACASA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)C 710642607 UFYFXRAGHVMSER-BZUAXINKSA-N 271.876 4.816 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1CCCC1(F)F)NCCC 714003160 JKQFMGMYTLOFLE-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)c(C)s1 715706216 QRPZRMJCBAXRAR-IAQYHMDHSA-N 251.439 4.618 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)ccc1Br 715722503 VRCBNEFYRHCBBY-WFASDCNBSA-N 296.252 4.620 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cscc1C(F)F 717188592 DFSRIJUPWJQLBC-GFCCVEGCSA-N 259.365 4.693 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cscc1C(F)F 717221251 PQHGHYYIIUYMMB-CABZTGNLSA-N 259.365 4.549 30 10 CJEE C[C@@H]1CC[C@H](OCCCCCCCCCS)C1 721557100 MAZNHZAEOJZDQV-CABCVRRESA-N 258.471 4.852 30 10 CJEE CCCCCCCC1(CNCC)C[C@H](C)O[C@@H](C)C1 724293281 VNARAXJLKLQVES-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=C1CCC(CC(=O)c2cc3ccccc3o2)CC1 724579666 PBPFZWWPZSRRNV-UHFFFAOYSA-N 254.329 4.752 30 10 CJEE C=CCC1(C(=O)NCC(C(C)C)C(C)C)CCCCC1 1128131294 FNVDMSNMQWOZNE-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=CC[C@H]1N(C(=O)c2cc(C)c(C)s2)CCCC1(C)C 1128576796 YUUWVXVDKFBPBS-OAHLLOKOSA-N 291.460 4.572 30 10 CJEE C=C[C@H](OC(=O)CCC1CCCCC1)c1ccccc1 1130934618 RHVJQLJYDPQVTE-KRWDZBQOSA-N 272.388 4.817 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 1150579233 RGYKWCFIPDWYMW-SJLPKXTDSA-N 285.431 4.569 30 10 CJEE C#CC[C@H](NCCCCCCCC)c1ccccc1 1168722651 HCGCYVXOAIIGGJ-SFHVURJKSA-N 257.421 4.701 30 10 CJEE C=CCCCCCCNC[C@@H](C)c1ccc(C)cc1 1181622221 RQHNMFGWCJHNAM-QGZVFWFLSA-N 259.437 4.825 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1CCC2(CCCC2)O1 1182644134 GQUYKNPHECNUTN-SJORKVTESA-N 279.468 4.593 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC=C(C(C)(C)C)CC2)c1 1220335139 NVPCEEWGLCMPQN-UHFFFAOYSA-N 298.430 4.930 30 10 CJEE C=CCCCCCN(C)C(=O)NCC1(CC(C)C)CCC1 1224026107 GSFLKOKZFBEHTL-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCC1(NC(=O)c2cccc3ccsc23)CCCCC1 1272725746 HRRXKJQAHFISRG-UHFFFAOYSA-N 299.439 4.910 30 10 CJEE C=C[C@@H](OC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 1279069295 IEUBCJNZTKQQGZ-DLBZAZTESA-N 270.372 4.593 30 10 CJEE C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 1353746244 KOUMUAYMLADUCV-RCCFBDPRSA-N 297.442 4.812 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc(Cc2ccccc2)cc1 1358235033 GYLJRZDZEDGPKX-HXUWFJFHSA-N 294.394 4.785 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 1458278933 ZTYXSDAOCJGPNI-DLBZAZTESA-N 287.447 4.506 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 1462581296 XNWGYHHCXQGLPU-RYRKJORJSA-N 297.442 4.767 30 10 CJEE C#CCCCCCCN1CCCC(CC)(CC)CC1 1473384290 APVLTAYAEIFYBT-UHFFFAOYSA-N 263.469 4.862 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCOC12CCCCC2 1474730140 OWBVXSREQCLMQJ-DLBZAZTESA-N 279.468 4.593 30 10 CJEE CCCCCCCCCCNC(=O)N1CCCC[C@@H]1C 1475077623 RAFJVUQEKYSPPF-INIZCTEOSA-N 282.472 4.711 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCC[C@@H](C)CC1 1478440500 MTFZVVJWYRZBGW-IAGOWNOFSA-N 294.483 4.781 30 10 CJEE C=CCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 1517268178 CBGBPCCIKCCURQ-ZDUSSCGKSA-N 284.758 4.830 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 1520010465 AYTABOZZCWYDHQ-RWQQGDIJSA-N 299.458 4.882 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](CC1CCC1)c1ccccc1 1520430472 SXIWOYOVSALOFW-LJQANCHMSA-N 297.442 4.803 30 10 CJEE C=C1CCC(C(=O)N(C(C)C)[C@H](C)c2ccsc2)CC1 1525800889 PORFUAWXBRTSFI-CQSZACIVSA-N 291.460 4.793 30 10 CJEE C=C[C@@H](CC(=O)O[C@H](C=C)c1ccccc1)c1ccccc1 1528631403 CGBMZGVVXOXDPP-QFBILLFUSA-N 292.378 4.817 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1 1529902499 RPDMRSCHYAORFI-UHFFFAOYSA-N 277.795 4.805 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2ccccc2)s1 1533806315 LAZNGIPGQDTZQZ-SFHVURJKSA-N 299.439 4.634 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 1585977856 QXRQRULMHHWSJQ-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=CCCCCCCNC(=O)/C(C)=C\c1ccc(C)cc1 1587021789 QVJJISVIVGUHLI-ICFOKQHNSA-N 285.431 4.651 30 10 CJEE Fc1cc(C#Cc2ccccc2Cl)ccc1Cl 1614824997 KTROASHNCOBPHV-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE Cc1cccc(C#Cc2cc(Cl)ccc2Cl)c1 1614900721 OIVKHGHTXWOGLG-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CCCCCCN1CCc2c(F)cc(F)cc2[C@H]1C 1616333356 YHYRHYFMFVFGOG-CYBMUJFWSA-N 279.374 4.630 30 10 CJEE C=CCCC1(CNC(=O)CCCC(C)(C)C)CCCC1 1617476024 YRQXKGMDDKEEDP-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCC[C@H](NCCOCc1ccccc1)c1ccccc1 1645079657 CPSKKVMVHJRYJM-FQEVSTJZSA-N 295.426 4.500 30 10 CJEE CC(C)[C@@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 1652413033 FXLUMXSUXQYPCJ-RHSMWYFYSA-N 292.854 4.609 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)CC(C)(C)O2 1656622586 KZHMZOLHXXISNC-WMZOPIPTSA-N 299.458 4.625 30 10 CJEE C#C[C@@H](NC1CCC(C2CCCCC2)CC1)C(C)(C)C 1659917082 WVIQXNOMIJZUIQ-DAWZGUTISA-N 275.480 4.763 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@](C)(c2ccccc2)C1 1665313135 ZIIZTOQPAWHTIC-HKUYNNGSSA-N 271.448 4.689 30 10 CJEE C=CC(C)(C)CCNC(=O)N1CCCCC[C@H]1CC(C)C 1687156825 SXTBRQJIHOCKSA-INIZCTEOSA-N 294.483 4.589 30 10 CJEE C=CCN(C(=O)CCC1CCCCC1)C1CCC(C)CC1 1860008157 HZFFEOIBNAFUAM-UHFFFAOYSA-N 291.479 4.940 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@H]1C1CCC1 1876591392 UUMUWDHNLLZMPV-GJZGRUSLSA-N 273.445 4.955 30 10 CJEE C=C([C@@H](NCCC)C1(C(C)(C)C)CCC1)C(F)(F)F 1876761560 FDNKJENRAKPHQY-GFCCVEGCSA-N 277.374 4.690 30 10 CJEE C=CC[C@@H](CNC1CC1)CC1CCC(CCC)CC1 1878300795 UTJIWYNSOVWADU-OFLPRAFFSA-N 263.469 4.927 30 10 CJEE N#C[C@]1(C[C@@H]2CCCC[C@H]2C(F)(F)F)CCCSC1 1879876229 XJAMWHAFWGYOOP-YNEHKIRRSA-N 291.382 4.782 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H]1CCC[C@H](C)C1 1881009793 XMVNQFWKHJHQAN-FUHWJXTLSA-N 257.421 4.643 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@]1(C)CC=CCC1 1885238412 ULKRQSLCBSLGBG-QZTJIDSGSA-N 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CCC1(OCc2ccc(Cl)c(C)c2)CCC(=NO)CC1 2161458864 FVNHRXPVDQGQPJ-UHFFFAOYSA-N 295.810 4.718 30 10 CJEE CCCCCCC[C@H](NCC)[C@]1(O)CC[C@@H]1CC(C)C 2161910873 TVZXREMNJNZXCI-SQNIBIBYSA-N 283.500 4.512 30 10 CJEE CCCCCCCc1nc(CCC)c(C(=O)OCC)s1 2163066062 IEESIXXMDPQRQK-UHFFFAOYSA-N 297.464 4.785 30 10 CJEE CCCCCCCC(=O)c1ccc(N2CCCC2)cc1 2163216918 PHAAHXWYQQFIDL-UHFFFAOYSA-N 273.420 4.830 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](CN)C(C)C 2164165737 NCFLZDDPFPJNAI-MSOLQXFVSA-N 284.532 4.726 30 10 CJEE C=CC[C@@H](NCCC)c1csc(-c2ccc(F)cc2)n1 2164222030 RDQHGCHWDRQUAY-CQSZACIVSA-N 290.407 4.566 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1nc(OC)cs1 2164487766 PSKZLIXYDNDRQS-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2166148944 ILMQPLMECHBELU-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CC(C)(C)CO1 2166242830 BHIKPOHOVQSMIU-GOSISDBHSA-N 283.500 4.920 30 10 CJEE N#C[C@]1(Cc2cnc(C3CC3)s2)CCCCC12CCC2 2173623077 RDPGKHBPXAPFMW-QGZVFWFLSA-N 286.444 4.817 30 10 CJEE C[C@H](C[C@]1(C#N)CCCCC12CCC2)c1ccccn1 2173624028 YQYGUZARZVQAQQ-QAPCUYQASA-N 268.404 4.829 30 10 CJEE CCc1ccc([C@@H](O)[C@]2(C#N)CCCCC23CCC3)s1 2173626755 TWEBBQBUMITGBJ-NVXWUHKLSA-N 289.444 4.598 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H](O)c1cccc(Cl)c1 2173662934 QAXMOYGJWICICJ-RDJZCZTQSA-N 294.822 4.549 30 10 CJEE O=C[C@]1(C[C@@H]2Cc3ccccc32)CCCCC12CCC2 2173684595 HZYJWLUGNFMISH-QFBILLFUSA-N 268.400 4.646 30 10 CJEE CN(CC#CC1CCCCC1)[C@H]1CCCCC12CCC2 2173708103 WMZDMLWRBYFOKD-SFHVURJKSA-N 273.464 4.615 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1[C@@H](C)N 2174941570 PVELHUQSUDKIPU-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc2cnn(C)c2s1 2175236720 PRTJPYWNUQVDCC-CQSZACIVSA-N 293.480 4.646 30 10 CJEE CCCN[C@]1(C#N)C[C@H](CC)C[C@H](SCCC(C)C)C1 2175414381 TWWNJCYFYWMUII-IXDOHACOSA-N 296.524 4.606 30 10 CJEE Cc1cc(C#N)ccc1OCc1csc2ccccc12 2176631259 XHCIKQWAMHCNSR-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE CC1CCC(C)(CNc2cc(Cl)c(C#N)cc2F)CC1 2177386265 YUZWRMFLGKYHFV-UHFFFAOYSA-N 294.801 4.979 30 10 CJEE CCCCCCCCCCNCC[C@@H]1CCCC[C@@H]1O 2179616182 AKFZJADEDSYWDR-ROUUACIJSA-N 283.500 4.658 30 10 CJEE C=CCCCC[C@H](NCC)C1C2CC3CC(C2)CC1C3 2179680194 NVLSWRVBRPGOIT-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE C=C1CC(C[C@H](NCCC)c2ccc(F)c(F)c2F)C1 2182158322 QSAGPVCYQNFUGJ-AWEZNQCLSA-N 283.337 4.501 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC2CC3(C2)CC(C)(C)C3)C1 2183157858 DPXDNIXXRGOTDJ-WBVHZDCISA-N 275.436 4.692 30 10 CJEE CCCC1CCC([C@@](C)(O)[C@@](C#N)(CC)C(C)C)CC1 2184375435 QTNWAHPMWDDBHK-OPQOLIRYSA-N 279.468 4.920 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC1CC(C2CCCC2)C1 2184453648 HOHPMXSYQDUUMB-UHFFFAOYSA-N 292.785 4.731 30 10 CJEE CCCCCCCCCCN[C@H]1CO[C@H](C(C)(C)C)C1 2185602184 GSFXNWAQSLKROB-SJORKVTESA-N 283.500 4.920 30 10 CJEE CN(CCCCCC#N)C(C1CCCC1)C1CCCC1 2185842600 ZEUMHCQBWNVQFO-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CN(c1cc(Cl)c(F)cc1C#N)C1CC(C(C)(C)C)C1 2188202495 FGCIHJNQJKXWQD-UHFFFAOYSA-N 294.801 4.612 30 10 CJEE CCCCCCCC[C@H](NN)[C@@]1(C)CCCC(F)(F)C1 2188652595 NNKTUOADUAHFBC-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE CCc1ccc(C#N)c(NCC(C)(C)c2cccs2)c1 2188847733 ZXGGNEQOVFBQDU-UHFFFAOYSA-N 284.428 4.572 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC23CCC(CC2)O3)C1 2191804726 RDLKKNQVYLTCMM-UHFFFAOYSA-N 278.436 4.510 30 10 CJEE CCC[C@H](CC)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2193694235 JBZVLOANHGICHZ-WCXIOVBPSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCCCCN1CC(COCC)C1 2195911968 KYNZAVOADHMVCJ-UHFFFAOYSA-N 283.500 4.876 30 10 CJEE Cc1cc(Cl)ccc1CN(CCC#N)CC1CCCC1 2196030926 VSPSGIGJIZPQRE-UHFFFAOYSA-N 290.838 4.554 30 10 CJEE C#CC[C@@H](C[C@@H](CC1CCCCCC1)NCC)C1CC1 2196837597 RVKQYZZHQYEVBC-RBUKOAKNSA-N 275.480 4.765 30 10 CJEE CN(C[C@@H]1C[C@@H]1C1CCCC1)CC1(CS)CCCCC1 2200218298 RDHKHROSUIPVES-DLBZAZTESA-N 295.536 4.625 30 10 CJEE CCc1ccccc1[C@@H](C)Nc1cc(Cl)ccc1C#N 2201192977 WTIDDONCVSVOKS-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE Cc1cc(C)c(C)c([C@@H](N)CC#CC2CCCCC2)c1 2203069425 RKGOVCDDIQBLFA-IBGZPJMESA-N 269.432 4.585 30 10 CJEE CC1(C)CC(C[C@]2(C=O)COC(C)(C)C2)CC(C)(C)C1 2203249393 DDWYDQDVRXYLNB-SFHVURJKSA-N 280.452 4.613 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CCCC(F)(F)CC1 2203794233 ZGLTYDNMOCNSEC-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1CC2(CCCC2)C1 2203810847 RGGPOQOYHNLKRA-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCCC#CCC(=O)c1ccc(-c2ccccc2F)s1 2203876995 JLOOWIUOJWZGIV-UHFFFAOYSA-N 286.371 4.931 30 10 CJEE CCCCCCC[C@@H](NCCC)c1nnc(CCC)s1 2204875744 ORLBNEIZQBPGDZ-CQSZACIVSA-N 297.512 4.892 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(O)CC[C@@H](C(C)C)C1 2206214770 LLLXMZMYIKYMJI-SQNIBIBYSA-N 283.500 4.512 30 10 CJEE C=CCCCCCC[C@H](O)[C@H]1CC2(CCCCC2)CO1 2206891061 IYNQNFZEQVPFEU-DLBZAZTESA-N 280.452 4.613 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H](O)c1cc(C)sc1C 2206891093 JDKQRQZFJUJMBI-DLBZAZTESA-N 295.492 4.513 30 10 CJEE C=CCCCCCCCCN1CC[C@H](c2nccs2)C1 2207376348 JACCEBYGWBOYBV-INIZCTEOSA-N 292.492 4.849 30 10 CJEE C=CCCCCCCCCCN1CCC(CC#N)CC1 2207382328 QQAASLDUAIDWNC-UHFFFAOYSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCCCNCC1(COC)CCC1 2207402977 MHIUEVPKJOETDV-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@@H]1COC(C)(C)C1 2207411947 VDJHECZOBPJAOS-IRXDYDNUSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@@H](Cc1ccccn1)NC 2207427992 SRIIAVRFSWILGT-KRWDZBQOSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CCC[C@@H](OC)C1 2207432991 UVWVOUALIYSODT-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1C[C@H](N)C1(C)C 2207434387 CNDHTBJUUSGQMW-RDJZCZTQSA-N 279.468 4.626 30 10 CJEE C=CCCCCCCCCCNC1C[C@H]2[C@H](C1)C2(F)F 2207440583 YUOHXJVWLNFGRL-HOTGVXAUSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](CCC)COC 2207442694 UAMHWOQMJQAIOZ-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCO[C@@]1(CN)CCCC1(C)C 2207447183 HTGSVYBYQYHJRT-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](O)[C@@]1(C#N)CCCC12CCC2 2207456348 JHLYGJSJCHGFFH-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE CCCN[C@](C#N)(CSCC(C)(C)C)C1CCCCC1 2208117168 HYQNPJPZCIJENF-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@@H](CSC)NCCC 2214614059 VKXFZDWUFXVGHO-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE CCCCCCCCC(C)=N[S@](=O)C(C)(C)C 2217258306 FROMPJZJNJGYLR-QGZVFWFLSA-N 259.459 4.660 30 10 CJEE Cc1cc(C(=O)C2=CC[C@H](C)CC2)c(F)cc1Cl 2219257730 HWAJYDCMZNNFTE-VIFPVBQESA-N 266.743 4.717 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1ccc(F)c(C)c1Cl 2220116500 NCTQXRSDENKJKR-YGRLFVJLSA-N 269.791 4.650 30 10 CJEE N#C[C@@H](C(=O)c1ccsc1)c1cccc(Cl)c1Cl 2220268040 DLKFQKADHXMNNB-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE C=CC[C@H](C)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2220769951 XZSUMNYQYUOLIM-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE CCCCCCCCCO[C@@H](CC)[C@H](N)CCC 2223187914 FQQZJQLILUFSDW-CVEARBPZSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCO[C@@H](C)CCCNCC 2223202812 APGKSWTXFBYGHK-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCO[C@@H]1CC(=O)[C@]1(C)CC 2223244307 YHARLJJLVLKPIT-CVEARBPZSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC(=O)c1cc(Cl)cnc1OC 2224756991 QWZZOXPKJJFDFL-UHFFFAOYSA-N 283.799 4.677 30 10 CJEE C=CCC[C@](C)(N)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225276095 OHBJFFJYAXZWDK-XQLPTFJDSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@@H]1C(C)(F)F 2227279653 JLDMLQZVJVYRKO-CABCVRRESA-N 273.411 4.736 30 10 CJEE CC(C)(C)CCC(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227501060 LOZWVWDIBFDXJJ-LLVKDONJSA-N 298.213 4.996 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1sc(C)c(C)c1C 2228568644 OESDVRUZBBGTDL-OAHLLOKOSA-N 270.401 4.659 30 10 CJEE CCCCCCCCCCO[C@H](CCCC)C(=O)O 2231032108 CIMAKXRTFGDBRD-OAHLLOKOSA-N 272.429 4.787 30 10 CJEE CCCc1ccc(C#CC(=O)c2cscc2Cl)cc1 2231226859 WXFDDCAPZWANHZ-UHFFFAOYSA-N 288.799 4.588 30 10 CJEE C=CC[C@H](CNC1CCC1)Cc1ccc(Cl)c(C)c1 2231580729 VZEDSFIMZDMJCJ-HNNXBMFYSA-N 277.839 4.525 30 10 CJEE C=CCCCCN(C)Cc1ccc(C2CCC2)cc1 2231641124 LFHOCBHDGKHCKM-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2coc3ccccc23)C1 2232347679 IPWSVGPBKRRYBL-GUYCJALGSA-N 253.345 4.695 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H]1CCCC(F)(F)CC1 2233781507 IDCOIWWIDJJTMG-HUUCEWRRSA-N 285.422 4.620 30 10 CJEE C=CCCCCCCCCOC[C@@H](N)[C@@H]1CCC1(C)C 2234049379 VVPJYEPPDHSQML-DLBZAZTESA-N 281.484 4.683 30 10 CJEE CN(CCCCCCC1CC1)C[C@H](C#N)C1CCCC1 2234087855 VYJPRAXGQLXBKS-SFHVURJKSA-N 276.468 4.609 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H](CC)O1 2235520694 BQSJRRDBXDLKCH-BZSNNMDCSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC2(CC2)[C@@H]1NC 2239449170 MXIUZPBMJWQKOR-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCOC[C@H]1C[C@H]1CNC(C)C 2239502862 OZLMRKTZOSHVFQ-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCO[C@H](C)[C@@H](C)CNC1CC1 2239509003 ALEFBOAFJVHSFT-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@](CC)(C(=O)O)[C@@H]1C[C@H]1C 2239527279 BPCMVHGVYQNDCL-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=C1CC(COc2c(Cl)cccc2CN[C@@H](C)CC)C1 2240236907 LXEDLEDKUIBAMS-ZDUSSCGKSA-N 293.838 4.573 30 10 CJEE O=C[C@@]1(Cc2ccc(C3CCC3)cc2)CCC12CCC2 2240265218 YIWRZDRUYZVKLY-IBGZPJMESA-N 268.400 4.646 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(OC)ccc1C 2240612403 ONEKLUPXUNZLOL-GOSISDBHSA-N 277.452 4.928 30 10 CJEE Cc1ccc([C@H](C)C(=O)CC#CC2CCCCC2)cc1 2240811524 BMMBUNXJQRCRFF-INIZCTEOSA-N 268.400 4.641 30 10 CJEE C=CCCSc1cc(Cl)c([N+](=O)[O-])cc1Cl 2244557187 KBAOVNSCDYIBBM-UHFFFAOYSA-N 278.160 4.570 30 10 CJEE CC1CC(CS)(COc2cc(Cl)ccc2Cl)C1 2246844720 FBIOFKFOPIANKM-UHFFFAOYSA-N 291.243 4.718 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(C)c(Cl)c1 2250159871 UPIIOSOQYOQHNY-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1SCC1(C(F)(F)F)CC1 2255198407 UOGBWQUUHCUELV-WDEREUQCSA-N 277.355 4.535 30 10 CJEE C=CCC[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2255413322 VJUMPBZQIZDKED-CYBMUJFWSA-N 288.218 4.619 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H]2CC[C@@H](C)C2)C1 2256634307 VLZUDDRMMDBPFK-OXGONZEZSA-N 265.466 4.874 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@]1(C)CCCCC1(F)F 2259198475 IUUVVEWHIGHXQN-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](F)C1CCC1 2259211495 LGZIGQLABYEIGN-JKSUJKDBSA-N 255.421 4.629 30 10 CJEE C=C(C)CCCCNc1ccc(C(F)(F)F)cc1 2259231035 CNRMLWCWSIBWJH-UHFFFAOYSA-N 257.299 4.864 30 10 CJEE O=C(CC#CC1CCCC1)c1c(Cl)cccc1Cl 2261163744 JGICYGVTVOSKCG-UHFFFAOYSA-N 281.182 4.760 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](C(=O)O)C1(C)C 2263714345 WWLXSBKMWIFKEJ-CZUORRHYSA-N 254.414 4.874 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C#N)CCCOC1(C)C 2269485464 QNSQIGSTHCJPGJ-VYDXJSESSA-N 263.425 4.692 30 10 CJEE C=C(C)CCCCN(C)Cc1cc(C)cc(C)c1C 2271747259 KJVZHGVITCTDRA-UHFFFAOYSA-N 259.437 4.790 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(C)c1F 2271782252 VZNSRYUJZPYNAN-INIZCTEOSA-N 263.400 4.921 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H](CC)CC(C)C 2274143219 AFOAKEPCYWAKRH-ROUUACIJSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@H](CCCCCC)OCC(=O)O 2275439589 YHGASGLTUYMFNG-OAHLLOKOSA-N 272.429 4.787 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1CC 2276606675 XIOXRZNIXHNYKB-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)C1(C)CC(C)C1 2277225935 NYCJWHJSGNUVBM-CGZBRXJRSA-N 269.473 4.517 30 10 CJEE CC(C)CCN(CC(C)C)CC1(CS)CCCCC1 2277474872 LNTIQMFUQGDZAO-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(OCF)c1 2278333686 VINZOLYUGNRFHQ-MRXNPFEDSA-N 268.372 4.560 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 2279646899 PDTQQYCYIKHPNO-ILXRZTDVSA-N 289.385 4.690 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC1=CCCCC1)NC 2281257802 GQVUKJLWOOVYIY-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCCCCCCCOc1ccc(C[C@@H](C)N)c(C)c1 2282938262 OMJVNVOUKQHUTA-MRXNPFEDSA-N 277.452 4.624 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cc(F)ccc2Cl)CC1 2283353752 KGGBCMYPNYNEGH-CQSZACIVSA-N 295.785 4.623 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(CCC)cc1 2283534177 ZTLSJRAJPCNBRE-IBGZPJMESA-N 273.464 4.762 30 10 CJEE CCCN[C@@H]1CC(C)(C)C[C@@H]1CC=CC#CC(C)(C)C 2284087858 HDNHMGFZFYMCPQ-DLBZAZTESA-N 275.480 4.787 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CSC(C)(C)C 2284176188 BZLURDIEHDGPTL-MRXNPFEDSA-N 295.536 4.882 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@]1(C)COC)NCCC 2284669633 MWGHPWHEYKBKGI-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(OC(C)C)c1 2287408719 LTMDJXVTDHFLLY-GOSISDBHSA-N 275.436 4.871 30 10 CJEE CCCCCCCOCC[C@H]1CCCC[C@H]1NCCC 2288864012 ZMSYWXZSXQFWET-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@]12CCC[C@@H]1CC2 2289002653 JJIAXENPNMUPEJ-SQNIBIBYSA-N 280.500 4.929 30 10 CJEE CC(C)(C)c1ccc([C@@H](N)C#CC2CCCCC2)cc1 2289692356 HLIVOELVGAYXBX-SFHVURJKSA-N 269.432 4.568 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1(CC2CCC2)CC1 2289702816 FCICUOJMWLICSU-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CN(CC#CC1CCCC1)Cc1ccc2sccc2c1 2289874031 JCLDKMCRCKASAI-UHFFFAOYSA-N 283.440 4.527 30 10 CJEE C=C(CC)C[C@@H](Cc1cccc(C(C)(C)C)c1)NCC 2290194836 PREAVNDRSLZIQB-SFHVURJKSA-N 273.464 4.861 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)C[C@H](C)CC[C@H]1C 2290917910 MEZYBTJBFULUMA-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCC1(C)C 2292785499 UZRRRVCMJLBFLX-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(Cl)C[C@@]1(OCCCN)CCCC2(CCCCC2)C1 2292888385 NDCRVRXILFGVKO-KRWDZBQOSA-N 299.886 4.758 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)C(F)F)OCCCN 2293688704 RQYUJYJABKYNSM-GOEBONIOSA-N 293.442 4.762 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CC(C)(C)CC[C@H]1C 2293890856 SVCWJWFLXXQTQA-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1ccccc1C 2294048569 RWUXOKXYZSLNJO-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=C(C(C)(C)C)[C@@](CCC)(OCCCN)C1CCCC1 2294258575 WUAHAVMMXQFKJV-GOSISDBHSA-N 281.484 4.683 30 10 CJEE Cc1cccc(C=CC(=O)c2ccc(C)cc2C)c1 2294299931 COKRFTWJMTZEQD-UHFFFAOYSA-N 250.341 4.508 30 10 CJEE CCC1CCC([C@@](C)(N)C#Cc2ccccc2Cl)CC1 2295211190 HLFMNUDGCNBNKK-PVARCSIZSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)c1ccsc1 2295674922 WNCFWNCGRONJKR-NVXWUHKLSA-N 297.508 4.900 30 10 CJEE C=CCC(CC=C)Cc1cc(Cl)ccc1OC 2301062044 DSEFWUHFQWYIOO-UHFFFAOYSA-N 250.769 4.660 30 10 CJEE CC1(C)CC[C@@H](CCC2(C#N)CCSCC2)C1 2304432518 WBJIKXVIDXUQQK-ZDUSSCGKSA-N 251.439 4.630 30 10 CJEE C=C(CC)C[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2307677739 NLLQKUODADCVQD-CQSZACIVSA-N 273.203 4.866 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2312205115 KVZUKIXWAXTRTK-XQHKEYJVSA-N 259.315 4.685 30 10 CJEE C=CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(C)c(C)c1 2313695974 QNDIGUUFAAQRJV-KGLIPLIRSA-N 262.418 4.572 30 10 CJEE CC(C)CC(CC(C)C)OCC1(CS)CC(F)C1 2313800597 KIYUNWWFSCYWAU-UHFFFAOYSA-N 276.461 4.512 30 10 CJEE CCCCCCCCC[C@@H](F)C12CC(CCN1)C2 2318819338 IOTNVRHRXKJLTD-HWOWSKLDSA-N 255.421 4.607 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2319259780 ACNYHFKTCLAESY-YGRLFVJLSA-N 288.193 4.749 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2320287628 XBHJGIMACUTSSI-DLTWYDFYSA-N 250.426 4.844 30 10 CJEE C=C(C)CON=C(c1ccc(C(C)C)cc1)C1CC1 2330303473 XVSBEAOOWJGIEH-UHFFFAOYSA-N 257.377 4.517 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1C[C@]1(C)C(F)(F)F 2333706019 CRTGLOGQSYXQDT-MCIONIFRSA-N 277.374 4.819 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1NC 2335205828 GSALUCUMKHNFJM-GFOFROLCSA-N 275.461 4.521 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1ccc(CCC)cc1 2335206799 NXJRNNSHCOTNCB-PBHICJAKSA-N 277.477 4.597 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[C@H]1C(C)(C)C 2337111221 JRSSOIKXIXYWMF-NCOADZHNSA-N 263.469 4.926 30 10 CJEE CCCCCCCCN(C)[C@@H](CC)[C@@H]1CCCCO1 2337322941 CAPQTRZTHKEJLG-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE CC(C)C(C)(C)CSc1cc(C(C)(C)C#N)ccn1 2338337372 UCKQAFVKTFZVJD-UHFFFAOYSA-N 276.449 4.657 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@]1(C)CC=C(C)CC1 2338740910 JSJKLLQDHVWCQF-QZTJIDSGSA-N 261.453 4.869 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@@H](CC(C)C)C1 2338810366 PKSUSVXLJGMUDF-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(F)c(Cl)c(F)c1 2344339625 KUCMFZLIOMPLNQ-HUUCEWRRSA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1=CC[C@H](C(C)(C)C)CC1 2344357040 OXILRMAHQCFRJN-BHYGNILZSA-N 263.469 4.949 30 10 CJEE C=CCCCCCCCS[C@@]1(C(=O)O)CC[C@@H]1CC 2351898975 LLHDBMKVYRRGNI-HOCLYGCPSA-N 284.465 4.890 30 10 CJEE O=C[C@@]1(CC2CCC(CC(F)(F)F)CC2)CCCS1 2353164785 YRGIGAXVCXOHOK-BPCQOVAHSA-N 294.382 4.600 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2353829916 HCKLMHIYTCJPAY-LUKYLMHMSA-N 284.509 4.954 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H](C)C1CCC(C)CC1 2353851062 YUBLTYSMVHALIQ-JCCCHCCOSA-N 285.541 4.725 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359121916 XNUWIIWOLRKWDR-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1C[C@H]2CC[C@@H]1O2 2360175178 AFAKMXGOBFJHMX-MHORFTMASA-N 281.484 4.802 30 10 CJEE CCCCC#CC[C@@H](NC)c1cc(C)c(OC)c(Cl)c1 2360217834 SACKYPNXGSZWIH-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(CCC)cc1 2360324483 PYMWFORZQUKMKL-QAPCUYQASA-N 291.504 4.988 30 10 CJEE Cc1cccc2nc(-c3ccc(Cl)cc3)c([C@H](C)C#N)n12 31921291 HBFIRSYYGKQZJU-LLVKDONJSA-N 295.773 4.590 30 10 CJEE CCCSc1nc(-c2ccc(Cl)cc2)ccc1C#N 33011163 KMMHCZINPWXTEQ-UHFFFAOYSA-N 288.803 4.776 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1ccc2ccccc2c1 37935768 CBXFDOKJPPTOMD-GOSISDBHSA-N 276.314 4.656 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2cccs2)C1 49726741 ZDHKOHZOOWRQQK-ZJIFWQFVSA-N 290.476 4.849 30 10 CJEE C[C@H]1CCC[C@@H](S[C@@H]2CCCCC[C@@H]2C#N)C1 54691011 OAQPYJZNSBFUAR-GBJTYRQASA-N 251.439 4.771 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccccc1C(F)(F)F 54823205 GALISXLSORRBKI-WCQYABFASA-N 282.309 4.590 30 10 CJEE N#C[C@H](CCCOc1ccc2c(c1)CCC2)c1ccccc1 57684503 PWHMYCVQKQRDRO-IBGZPJMESA-N 291.394 4.642 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@H](N)c1ccccc1 59083346 BQYWJLYLJOULLF-MSOLQXFVSA-N 277.452 4.698 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 71132238 RZIKRGLYJAISKB-YPMHNXCESA-N 263.768 4.559 30 10 CJEE C=CCCCOc1ccc2ccccc2c1Br 71275574 NPRQCBIIXVQJCY-UHFFFAOYSA-N 291.188 4.947 30 10 CJEE C=CCSc1ncnc2sc(C)c(-c3ccccc3)c12 71433781 AMTISQWFKWIHMC-UHFFFAOYSA-N 298.436 4.945 30 10 CJEE CCc1c(CC#N)oc2ccc(-c3ccccc3)cc12 77071956 WGBSFMHRMWXQLD-UHFFFAOYSA-N 261.324 4.728 30 10 CJEE CCc1nc(CSc2ccc(C)cc2)sc1CS 82423503 NHLPYHDMFBTBQA-UHFFFAOYSA-N 295.498 4.736 30 10 CJEE CCCCCn1cc(C(=O)CC#N)c2cc(CCC)ccc21 84865648 CVPXOEDZENQIML-UHFFFAOYSA-N 296.414 4.880 30 10 CJEE CCCC1(CCC)CC(C#N)(c2cccc(OC)c2)C1 86541457 FXMXRRXCMKLPFC-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE C=CCCC[C@H](NCC)C1CCC(CCC)CC1 87964230 RZILMSKMGHGEBZ-JCYILVPMSA-N 251.458 4.927 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1ccc(F)cc1Cl 88154628 NJRPUKVWBHNRPQ-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccc(F)cc2)CC1 91881335 YHEVRVONUOZANC-HQVVEAJESA-N 289.394 4.605 30 10 CJEE CCC[C@H](CS)COc1ccc(C(C)C)c(C)c1 94582768 RFHRPWURWCVVJU-AWEZNQCLSA-N 266.450 4.843 30 10 CJEE N#C[C@@]1(NC2CCCCC2)CCCC[C@@H]1c1ccccc1 97898546 XMWURISEHGPAQL-MOPGFXCFSA-N 282.431 4.529 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(F)cc2C)c1 103031065 CXRSUBVECGMBKC-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCC#CC[C@@H](C)c1cc(Cl)c(C)cc1OCC 107621305 XCLNCUVUKOBRGY-GFCCVEGCSA-N 264.796 4.954 30 10 CJEE CCCOc1cc(C)c(Cl)cc1[C@@H](C)CCC#N 107622368 LJDQELKANYFUPI-NSHDSACASA-N 265.784 4.845 30 10 CJEE CCCC#CCCc1ccc(OCCC)c(C)c1C 107643773 QZMKEEUVJSFNKE-UHFFFAOYSA-N 258.405 4.828 30 10 CJEE CCCCCCC[C@@H](CN)N(Cc1cccs1)C(C)C 110020788 YIKQYUNBOIBJBB-INIZCTEOSA-N 296.524 4.646 30 10 CJEE CCCCCCCO[C@H](C(C)C)[C@@H](O)c1ccccc1 110022350 WIIXWDNZIGEFKN-ZWKOTPCHSA-N 278.436 4.732 30 10 CJEE CCCCCCCOC[C@H](NC)c1c(C)cc(C)cc1C 110081458 CSEHEYGINPNHHB-SFHVURJKSA-N 291.479 4.859 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NC 110081689 MGROHZFJMRINCC-IXDOHACOSA-N 283.500 4.776 30 10 CJEE C[C@H](CCNc1ccc(C#N)cc1Cl)c1ccccc1 110258375 CXRODMIHKXWZPX-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE CCCCCC[C@H](C)Oc1nc2c(cc1C#N)CCCC2 110261724 PRVGHVUPOAKZDU-AWEZNQCLSA-N 286.419 4.570 30 10 CJEE CCCCCCCCOc1cccc2c1CC/C2=N\O 110323530 WMDFQUWBMCKUKL-FBMGVBCBSA-N 275.392 4.550 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(F)cc1F 114782661 FEDKFBJFSBVXEW-HNNXBMFYSA-N 269.379 4.585 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCCC)C1(C)C 117341518 KMGRRPNNTATSCX-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCCC(=O)[C@](C)(CC)N1CCCCC1 118162122 CHVPKFUUFQOWBO-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE Cc1ccsc1[C@H](C)Nc1cc(C#N)ccc1Cl 125672578 FOFMOCDEURCFQI-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(F)ccc1Cl 127683614 VKLRYIRVQALFKP-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE CCCCCCCCC[C@@H](NN)c1sccc1C 130018063 CSLFMRIGTMTUSL-CQSZACIVSA-N 268.470 4.702 30 10 CJEE CCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 131337839 GLOSXMFVCUDQIR-KBPBESRZSA-N 274.495 4.543 30 10 CJEE CCCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 135319595 WWGZVBMVCCGYIJ-GJZGRUSLSA-N 288.522 4.933 30 10 CJEE CCCCCCCCCNCCCOCCCC 160282201 SUPKZAZXTHBLQJ-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCCS1 161106381 NPQUVCKYIBZSHC-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CC[C@@H](C)/N=C(\O)OCC1c2ccccc2-c2ccccc21 202270537 PHZJRFZPKNTWLE-CYBMUJFWSA-N 295.382 4.528 30 10 CJEE CCCCCCCOc1ccc2oc([N+](=O)[O-])cc2c1 205165133 NNUDHNMXXMIOMQ-UHFFFAOYSA-N 277.320 4.690 30 10 CJEE CC#CC[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)(C)C 219554061 CYNVWLQZAWKNHK-IXDOHACOSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)[C@@H](CC)C1 226034765 FUUYAHHQVOWWBL-OALUTQOASA-N 296.543 4.967 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](NC)c2cc(F)ccc2O1 229148050 GDHGNGMMZGMNHV-SJLPKXTDSA-N 293.426 4.988 30 10 CJEE C#C[C@H](CCC)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 229908444 OQQCEDMPVPXGTN-VHSXEESVSA-N 288.193 4.585 30 10 CJEE CC[C@H](C)c1ccc(Oc2ccc(C#N)cc2)cc1 232342172 IHKPHCFNBAWJIB-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE C=CCCCCC[C@H](NN)C1(CC(C)C)CCCC1 232561220 ATMWLFWOLXFTCT-INIZCTEOSA-N 266.473 4.561 30 10 CJEE CCCCCCCCCCn1cnc(CNC(C)C)c1 232934616 XXLZNEIPTZTZEE-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCSc1cccc(NC[C@H]2CCC[C@@H](C)C2)c1C#N 233872238 QXGIDKIGRKPRES-KGLIPLIRSA-N 288.460 4.908 30 10 CJEE Cc1ccc(N(C)[C@H](C)c2cccc(Cl)c2)c(C#N)c1 235156348 HHJWQUZAKPPPMN-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCc2ccccc2C1 250843437 GWPBHMIYUNPVQF-CBVHJVASSA-N 265.400 4.512 30 10 CJEE Cc1ccc(OC(C)C)c(C2(C#N)CCCCC2)c1 260881128 SPMDOJCPIAWUGR-UHFFFAOYSA-N 257.377 4.508 30 10 CJEE C=C([C@H](NCC)[C@@H](CCC)CC(C)C)C(F)(F)F 308062579 VTQAXSDVLTYTLO-STQMWFEESA-N 265.363 4.545 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(C1CC1)C1CC1 311340462 IAXLBBRTZXHRRY-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1ccc(Cl)c(Cl)c1 319857516 OFJCPKKCZTYJNI-KOLCDFICSA-N 256.176 4.893 30 10 CJEE C=CCCCCCOc1cccc(C[C@@H](N)CC)c1Cl 381387761 LZUQEYRMVPCMOY-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE CCCCCCCCCC(=O)[C@@H](CC(C)(C)C)NC 387490903 ZAMLNJFGXMBVHP-OAHLLOKOSA-N 269.473 4.720 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccsc2C)CC1 388350961 APQGPJSQRUNJQM-OGVSOVDVSA-N 277.433 4.590 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)CCC(C)(C)C)CC1 388565556 QJHZJSRRZVWSQA-WIHSUSGWSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCC[C@H](N)CN1CCCCCC1 392781033 ZSLWSBRRILISFK-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCc2ccccc21)C1CCC1 398704055 KTBPAFYBPNZGOS-RDTXWAMCSA-N 253.389 4.611 30 10 CJEE SCC1(CSc2nccc3ccccc23)CCCC1 401517453 PEFPYHUVHFIFIG-UHFFFAOYSA-N 289.469 4.817 30 10 CJEE C=CCCC[C@@]1(O)CCCC[C@@H]1C1CCCCC1 404339196 RKMVIQMQSVKQFF-IAGOWNOFSA-N 250.426 4.844 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCCCCC2)c(Cl)c1 404563442 VSGVMHGTJDQZRI-OAHLLOKOSA-N 277.795 4.546 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccccc2C)c(Cl)c1 404770743 ZBLJETNGQNGPOJ-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE C=CCCc1ccccc1NC(=O)C1CCCCCC1 410374122 MFTCMHBQSCBTRR-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C[C@@H](CCC1CCCCC1)NCC1CCC(C#N)CC1 442876842 YJTKGCOXQKRKCD-ZLPCBKJTSA-N 276.468 4.655 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](CC(C)C)c1cccs1 464441218 SYSNZKYNKFJKFQ-KBPBESRZSA-N 279.449 4.554 30 10 CJEE CCC(C)(C)CCNc1cccc(Br)c1C#N 686311381 AYFBWQUPGSOWAM-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C#CCCCCC[C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 686676300 DBIFDRWMBPGSOO-TVFCKZIOSA-N 262.437 4.538 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 686677678 JXGJGBKAJFZAJM-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(C)cc(Cl)c1 686708727 OEGCZVKLHLYVSL-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE CCCCCCCCCCCC[C@]1(O)COC[C@H]1C 688010536 VETLKVOYVAPJCF-SJORKVTESA-N 270.457 4.695 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC[C@H]1C1CCCCC1 688814353 QFDMTIFPHNPLSS-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE Cc1cc(Nc2cc(F)cc(C#N)c2)cc(C)c1Cl 690234619 JRAOVPDQHHJRIB-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE CC(C)OCCCC1(C#N)CC(C)(C)CC(C)(C)C1 690408624 FDTYZNVEGXHCAZ-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](c1cccs1)C1CC1 692189033 DGGXVNYDJJYKIX-UNEWFSDZSA-N 275.461 4.924 30 10 CJEE CCC1CCC(C#N)(C[C@@H](C)c2ccccn2)CC1 692881791 AGAQISLHLRRERO-HPUBIQBYSA-N 256.393 4.685 30 10 CJEE C=C(CC)CC(=O)c1ccc(C)c(C(F)(F)F)c1 693661379 LYLNVOYPTDEMMJ-UHFFFAOYSA-N 256.267 4.553 30 10 CJEE CCCCCCCC[C@@H]1[C@H]2CCCN[C@@H]2C1(C)C 693701145 GVROICVRVWMNFJ-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1N/C(=N/CCCC2CCCCC2)S[C@H]1CC 694078512 NMAHWITVUOUWAW-GJZGRUSLSA-N 282.497 4.597 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1C=CCCCCC1 695744608 JWFUXHWBJBVFJR-CQSZACIVSA-N 260.768 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2C[C@@H]2C1 695806257 ZQHPJIIGWGYKRM-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE C=C1C[C@H]2CC(NCC3CCC(CC)CC3)C[C@@H](C1)C2 697333561 MRCZPKQUBHESHY-PNIOZXJOSA-N 275.480 4.927 30 10 CJEE C=CC[C@@H](C=C)OCc1cc(CNC(C)(C)C)sc1C 706078499 ZKKCVYGWTDKYHV-OAHLLOKOSA-N 293.476 4.592 30 10 CJEE C=CCSC[C@H](NCC)c1cc(Cl)ccc1Cl 708620826 UTJJZIOWNRGWMV-ZDUSSCGKSA-N 290.259 4.563 30 10 CJEE Cc1ccc(N(C)[C@H]2C[C@H](C)CC(C)(C)C2)c(C#N)c1 709181922 FQUCSOUOZNDYKV-HOCLYGCPSA-N 270.420 4.518 30 10 CJEE C[C@H](N(C)CC1(CS)CCCCC1)[C@@]12CCCC[C@H]1C2 709263045 PCTJMVLWXBPUHF-BQFCYCMXSA-N 295.536 4.767 30 10 CJEE C=C(Cl)C[C@@H](NCC(C)C)[C@H](C)c1ccccc1 710668582 GQGWECZPXXQNJN-GDBMZVCRSA-N 265.828 4.547 30 10 CJEE C=C[C@H](C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716026412 NZEAFJSQJINUEG-ZETCQYMHSA-N 283.215 4.711 30 10 CJEE N#CC1(CC[C@@H](O)c2ccccc2)CCCCCCC1 721307445 AKRCRZNXFKHMIK-QGZVFWFLSA-N 271.404 4.754 30 10 CJEE CCCCCCCCN[C@H](C1CCCC1)C1CC1 724009918 BIEXLOOINNMGJH-QGZVFWFLSA-N 251.458 4.905 30 10 CJEE C=C1CCC(CN[C@H](C)c2cccc(Cl)c2)CC1 724542150 ITSXKMHQWBYTIR-CYBMUJFWSA-N 263.812 4.737 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(C)c(C)s2)CC1 724547504 PSTCQSKAMSVLSI-AWEZNQCLSA-N 250.407 4.535 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2CCCC(F)(F)C2)CC1 724595592 SYAYDEMWVKSNHC-HUUCEWRRSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@@H](NC)C2CCC3(CC2)CC3)CC1 724618428 OTNLNSKRJIXBLO-QGZVFWFLSA-N 261.453 4.681 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C[C@H](C)O[C@H](C)C2)CC1 724879010 BYUYFWNBTNSMKN-HTWWFHKTSA-N 277.452 4.936 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C\C1CCC(C)CC1 1131385206 TUPUCDPACMYLBS-SQFISAMPSA-N 277.452 4.620 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(SC(C)C)cc1 1168476471 VGCCXYSXYRKHTA-CQSZACIVSA-N 263.450 4.804 30 10 CJEE C=CCC[C@H](NCCc1ncc(C)cc1C)c1ccccc1 1168657957 SPXMYUJCHATQFV-FQEVSTJZSA-N 294.442 4.538 30 10 CJEE C=CC[C@H]1N(C[C@@H](C)C(C)(C)C)CCCC1(C)C 1169845924 YLURKRSXAPTHOZ-HUUCEWRRSA-N 251.458 4.735 30 10 CJEE C=CCC1(CNc2nc3c(F)cccc3o2)CCCC1 1186430816 GGQDNYPNXOIAQX-UHFFFAOYSA-N 274.339 4.515 30 10 CJEE C#CCN(C[C@@H]1CCCC[C@H]1C)[C@@H]1CCCc2ccccc21 1198105248 WLXGYRJJSNIBEE-SLYNCCJLSA-N 295.470 4.826 30 10 CJEE CCCCCCCCCCN1Cc2ncsc2C1 1201874729 DTVAYRRQCKKDKM-UHFFFAOYSA-N 266.454 4.599 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CC[C@H](O)CC1 1207899255 SFZMQTNPTGREGC-IYARVYRRSA-N 281.484 4.529 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](CC)c1cccc(Cl)c1 1267310405 CYUSXJZDPJPBQA-GOEBONIOSA-N 280.795 4.937 30 10 CJEE C=C[C@H](CC(=O)NCC1CCC(C)(C)CC1)c1ccccc1 1267336868 WDNLBRGYBOLRJK-QGZVFWFLSA-N 299.458 4.679 30 10 CJEE C=CCCC1(CNc2ncnc3sccc23)CCCC1 1458485220 QHEDPOHRYQMEBE-UHFFFAOYSA-N 287.432 4.630 30 10 CJEE C=C(C)CCN1CCC[C@H]1[C@@H](CC)c1ccccc1 1459676551 XLXOQTVLBKNSQY-ROUUACIJSA-N 257.421 4.611 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 1461550467 QSOUXCRFURLYNT-IAGOWNOFSA-N 270.372 4.593 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccccc1C=C 1467152194 JKYVSMPVNIVYRK-UHFFFAOYSA-N 272.392 4.588 30 10 CJEE C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 1472870637 ZMLKKDHPFMWSTP-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)CC1 1474255380 JLZSKNHVBPLPBQ-FFZBTMFNSA-N 295.470 4.740 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)s1 1521824406 LWTUQPVBIJJAQQ-QWRGUYRKSA-N 285.840 4.571 30 10 CJEE C=C(C)COc1cccc(NC(=O)C2CCC3(CC2)CC3)c1 1529832947 ODQRJTBDHWLHLD-UHFFFAOYSA-N 299.414 4.550 30 10 CJEE C=C[C@@H](CC(=O)Nc1cc(C)cc(C)c1)c1ccccc1 1530716443 IWWGISJIJUIXNR-INIZCTEOSA-N 279.383 4.602 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CCC1 1531361182 VPXGJELSHFPPOV-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CC1CC(c2ccccc2)C1 1537213417 IWHISUFKVCFHEQ-KVZIAJEVSA-N 297.442 4.528 30 10 CJEE C=CCCCN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 1559568398 VUCNWUGJDNPVLT-GDBMZVCRSA-N 261.409 4.581 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[C@@H]2C[C@H]2C1 1560719272 AYCWZOAARNEXLB-MGPQQGTHSA-N 295.879 4.826 30 10 CJEE C=CC[C@H](CC)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1560791285 FVBLNSDQARIXMG-PVAVHDDUSA-N 277.839 4.920 30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(C)c(C)c1 1562162777 ZNDPDLINYWBXTJ-UHFFFAOYSA-N 288.435 4.952 30 10 CJEE C#CCCCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1585865391 APLIBUCZGNCQFD-IBGZPJMESA-N 299.458 4.601 30 10 CJEE C=CCC[C@@H](C)NCCc1cccc(-c2ccccc2)c1 1621455186 ADPCSWRSFDHFDZ-QGZVFWFLSA-N 279.427 4.840 30 10 CJEE C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 1634505281 VFUDNOSCHLUNFW-HZPDHXFCSA-N 294.483 4.635 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)c1ccc(F)cc1C 1653081317 FEFCNHIBQXIMBZ-HOCLYGCPSA-N 263.400 4.920 30 10 CJEE C#CCCCCCCN1CCCC[C@@H]1c1ccccc1 1653183326 RHVORMSRPINKRH-LJQANCHMSA-N 269.432 4.797 30 10 CJEE C=CCCCCCN1CC[C@@H]1c1ccc(Cl)cc1 1653582179 UQONXVBHYWDKOG-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(Cl)cncc1Cl 1655044756 LNAMEMCRSWSFIF-IAQYHMDHSA-N 299.245 4.613 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2CC[C@H](OCCC(C)C)CC2)C1 1656656035 IAGDXEAVZPRJIP-NCXUSEDFSA-N 293.495 4.695 30 10 CJEE C=CCN(Cc1ccccc1F)CC1CCC2(CC1)CC2 1657041669 IFQIHJPWKTWHPM-UHFFFAOYSA-N 287.422 4.784 30 10 CJEE C#Cc1ccc(NC[C@H](c2ccccc2)C(C)C)cc1 1657104642 XLRBUDYOBMQZNX-IBGZPJMESA-N 263.384 4.520 30 10 CJEE C#CCC1(NCc2cc3ccccc3s2)CCCCC1 1658664490 SKHZXGPSXDGUSI-UHFFFAOYSA-N 283.440 4.717 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(OC(F)F)cc1F 1664465482 JOZGAXWDINESJO-NSHDSACASA-N 287.325 4.974 30 10 CJEE CCSc1ccc(/C(C)=N/OCc2ccccc2)cc1 1857936842 JUUDVJPTLSCDOX-NBVRZTHBSA-N 285.412 4.739 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1ccc(O)cc1 1877595433 JHRHEKDGIFLZGI-GJZGRUSLSA-N 263.425 4.792 30 10 CJEE C=C[C@@](N)(CC1CCC(CC)CC1)c1ccccc1 1878333104 XBDHBKKWPAPXIS-LEOMRAHMSA-N 257.421 4.633 30 10 CJEE CC#CCCC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 1879645517 XJCRAVRGNJCKFO-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE C=CCN(Cc1ccccc1)[C@H]1CCC[C@H](CC)C1 1881293307 LNLOSSIAYBPBAQ-WMZOPIPTSA-N 257.421 4.643 30 10 CJEE C=CCN(Cc1ccccc1)CC1C[C@H]2CCC[C@@H]2C1 1882576984 KRPMHLCLVAZEMG-RTBURBONSA-N 269.432 4.501 30 10 CJEE CC#CCCCC[C@H](CCCc1cccs1)NCC 1885265132 OONKEPXMNDOOMF-MRXNPFEDSA-N 277.477 4.633 30 10 CJEE CC1([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CCCCCC1 1885273733 FTTCVCCRNLSPFA-UONOGXRCSA-N 278.245 4.829 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 1887489473 NSRKYBQJYAWNNA-LZLYRXPVSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCN(CCC)[C@H]1CCCOC1 1888840458 CWMKAIWLQKTZOI-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE CCCCCCC[C@@](C)(O)CCCC(C)(F)F 1919901732 APYFDTDNHTWDPF-CYBMUJFWSA-N 250.373 4.923 30 10 CJEE CCCCCCCCCCNc1ccc(F)c(CO)c1 1924883131 IKZCAYBVPAWTBC-UHFFFAOYSA-N 281.415 4.871 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(SC)s1 1944682488 AIDOAZFYFJSZMM-RISCZKNCSA-N 269.479 4.723 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 1962795022 HVWUSJFFPAMTKN-UHFFFAOYSA-N 289.728 4.557 30 10 CJEE C=C(C)CC[C@@H](C)NC1CC(c2ccccc2Cl)C1 1964567531 WXDHDXCFQUERMG-WLYUNCDWSA-N 277.839 4.920 30 10 CJEE C=C(Cl)CC[C@H](NCCC)c1ccc(C)cc1 2003626898 QKQWARVVYXAGLH-HNNXBMFYSA-N 251.801 4.568 30 10 CJEE 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UEZIHFKXMGTCKO-FGTMMUONSA-N 281.484 4.661 30 10 CJEE Cc1ccc(N[C@H](C)c2ccc(Cl)cc2F)cc1C#N 2199339550 JVBQDIDROISHHU-LLVKDONJSA-N 288.753 4.832 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]2C2CCC2)CCc2ccccc2C1 2199950991 OATCBGNORXHXKO-CEXWTWQISA-N 265.400 4.512 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]2C2CCCCC2)c(Cl)c1 2200147523 NMYQKUZFROYZNW-GJZGRUSLSA-N 288.822 4.840 30 10 CJEE CCCCCCCCC(=O)c1ccc(OC)c(F)c1F 2201624492 OVCKEMPJLGZBAX-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@]23CCC[C@@H]2CSC3)CCC1 2201863245 QQDQLNRGGXSIOT-SOLBZPMBSA-N 293.520 4.634 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1CC2(CO1)CC(F)(F)C2 2202340042 ZBBUVDGEYZLNJL-KGLIPLIRSA-N 285.378 4.691 30 10 CJEE CCCCCC#CC[C@@H](NC)c1ccc(Cl)c(OC)c1 2203807034 JQLGJVGCTIBQKM-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2203810231 MOMDMWQFYGHOFO-OTWHNJEPSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccccc1CC(C)C 2203827977 NYMBYPHIQFPLPZ-LJQANCHMSA-N 271.448 4.859 30 10 CJEE CCCCC#CCC[C@@H](CNC(C)C)c1ccccc1 2203832382 IUFXWEFLYLFSCZ-IBGZPJMESA-N 271.448 4.742 30 10 CJEE CCCCC#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 2203834814 SUSXHIIHIKGDBE-FGTMMUONSA-N 277.496 4.868 30 10 CJEE C=CCCCCCCCCN(C)CC[C@H]1OCC[C@@H]1C 2207372029 CJQXOHHAGPSMKX-ZWKOTPCHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCC[C@H]1CC 2207380663 BCAPAPKASJPZKH-AEFFLSMTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCOc1ccc(C=O)c(F)c1 2207402907 LRWUXKTWWROZIH-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CCOCC1(C)C 2207427321 LPQFWXFRQJFVIY-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)c1cscc1F 2207435553 HUWXHVQBLJSGIY-JKSUJKDBSA-N 299.455 4.555 30 10 CJEE C=CCCCCCCCCC[C@H](COC1CCC1)NC 2207435739 IKWDIXSPDPXLMK-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@](C)(O)C[C@@H]1CCOC1 2207437300 NQSUOACRHIOVCN-ROUUACIJSA-N 282.468 4.861 30 10 CJEE CC(C)C[C@@](C#N)(CSCC(C)(C)C(C)C)NC(C)C 2207591734 NMPILDWDUJFNIJ-QGZVFWFLSA-N 298.540 4.708 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccc(F)c(Cl)c1 2213216470 NWPOVGUFEAJZCY-PWSUYJOCSA-N 253.748 4.768 30 10 CJEE C=CCCCCCCC[C@H](NC)C(C)(C)SC 2214614330 YCGSRWYWBVEARK-AWEZNQCLSA-N 257.487 4.633 30 10 CJEE CC1(C)C[C@]1(Cl)CC1(C=O)CCCCCCC1 2216097352 QAMYQFARLVKLLU-HNNXBMFYSA-N 256.817 4.714 30 10 CJEE C=CCSc1c(C)sc(CN[C@H](C)CC)c1C 2217117497 BDMUVBONGGVQKR-SNVBAGLBSA-N 269.479 4.531 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCC[C@@H]1SC 2220092660 NBPPDFDEMQRUEO-CVEARBPZSA-N 269.498 4.777 30 10 CJEE CCCCCCCCCCOC[C@@H](CCC)NC 2223215705 NWEHQAVHEHXXRS-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@H](CC)CC(F)F 2223556321 JIXRGZUMBHGOSC-YDHLFZDLSA-N 261.400 4.638 30 10 CJEE CCCCCCCC[C@]1(C)N[C@H](CC)[C@@H](CC)O1 2223775910 WASUJIKKTPAOQA-BZUAXINKSA-N 255.446 4.630 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC[C@H]2C(F)(F)F)CC1 2224485276 KVCIUVCBAYSZOF-YIFLHPOLSA-N 276.342 4.751 30 10 CJEE CC(C)C(C)(C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225691667 PGWLWWMNHPTHDE-GFCCVEGCSA-N 298.213 4.852 30 10 CJEE C=CCCCCCCC[C@H](O)c1nc(C2CC2)cs1 2227270327 FLCCCBXHARKJOS-HNNXBMFYSA-N 279.449 4.971 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(Cl)c(OC)c1 2227590357 UNBVQDBZHHURMG-CHWSQXEVSA-N 281.827 4.744 30 10 CJEE CCCCCCCCCO[C@H](CCC)CNC(C)C 2230991603 XJELSPVGAUJJFS-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(C)cc(C)n1 2231902005 CXZMDMXXZZJTBK-QGZVFWFLSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@@H](C)NC1CCC(OC)CC1 2231930940 YVBOSLYYGJEESQ-KLAILNCOSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@H](C)NC[C@](C)(OC)C1CC1 2231945750 JINLBSSAJWCZLM-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2CC[C@@H]2C(F)(F)F)C1 2232692841 CAHJVISHEKJCAG-KGLIPLIRSA-N 289.385 4.547 30 10 CJEE CCC[C@H](C(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1)C(C)C 2233384862 GBSFCXDIRHMRGZ-STQMWFEESA-N 295.785 4.728 30 10 CJEE CC1=CC(=O)[C@@H](CC2C[C@@H]3CCC[C@H](C2)C3(F)F)CC1 2233593917 LZQQPOMQKTXWIY-NUDNTCICSA-N 282.374 4.764 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2233684704 JRBMLLIYHWZZQA-PIIMJCKOSA-N 275.480 4.929 30 10 CJEE FC1(F)[C@H]2CCC[C@@H]1C[C@H](CC[C@@H]1CCC[C@@H]3O[C@@H]13)C2 2233689497 HYJZTKFGVHRWBH-IATJYDTKSA-N 284.390 4.796 30 10 CJEE CCC#C[C@@H](NCC)c1ccc(-c2ccc(F)cc2)s1 2233780908 CTSUANOVEHMHAK-OAHLLOKOSA-N 287.403 4.618 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CC2(CCCC2)CO1 2235514325 SNDUEPKWXVSRCL-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCO[C@H]1CNC2(CCCCC2)C1 2235525177 YKSCFUVLEKWWID-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCC[C@](C)(O)c1ccc(C#N)cc1 2235526306 JMKVKUKGSZEOFS-SFHVURJKSA-N 271.404 4.682 30 10 CJEE CCc1ccc(C#N)c(NC[C@@]2(C)CC=C(C)CC2)c1 2237336675 HAHINXOZHPXETQ-SFHVURJKSA-N 268.404 4.669 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@H](CC)C1 2240555616 IOPAUNSZSPOVRA-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1sccc1CC 2248008027 VTFLDMDMNCGZQU-JSGCOSHPSA-N 251.439 4.563 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccccc1Cl 2250180433 AOYJSTSLRRTQQY-HNNXBMFYSA-N 252.785 4.684 30 10 CJEE CC[C@@H](CS)CSC1CC2(C1)CC1(CCC1)C2 2251372826 WGKHZEXVPYSFDD-LBPRGKRZSA-N 270.507 4.789 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CC[C@H](C(F)(F)F)C1 2253848827 DHERWZOJZRPONX-AGIUHOORSA-N 265.363 4.653 30 10 CJEE C=C(C)CCCC[C@@H](CC[C@H](C)CCCC)NN 2259168220 GYFCHGAGMXPQTK-CVEARBPZSA-N 254.462 4.561 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(C)CC(C)C1 2259205889 PLJWKKSUUVLRFJ-CGZBRXJRSA-N 251.458 4.927 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)CCCCO1 2259621835 PAEGIUYHSQVRKZ-HOTGVXAUSA-N 251.414 4.692 30 10 CJEE CC1CC2(C1)CC(S[C@@H]1C[C@H](C)CC[C@H]1C#N)C2 2260475527 RXWNPYJJNJTTDQ-XWKDZPAASA-N 263.450 4.627 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)CC1CC(CC(C)(C)C)C1 2261133073 QXIJOZLEIMDPAE-GIOUXUJVSA-N 250.426 4.844 30 10 CJEE N#C[C@H]1CCCCC[C@H]1SCC12CCC(CC1)C2 2261285205 WNSBPFKCCXLETN-LVDPKSTMSA-N 263.450 4.772 30 10 CJEE C=CCCCCCC[C@@H](O)C1(C)CC(C(F)(F)F)C1 2264670713 LKXJHGLRIPTYON-ROKHWSDSSA-N 278.358 4.853 30 10 CJEE CO[C@H](CSC[C@@H](C#N)C(C)(C)C)C1CCCCC1 2268661616 ZCLWOAQTFQAIFJ-HUUCEWRRSA-N 283.481 4.501 30 10 CJEE CC[C@H]1CCCCC[C@@]1(N)CC=CC#CC(C)(C)C 2268760663 AIDPHACSOYONNJ-FUHWJXTLSA-N 261.453 4.670 30 10 CJEE C=CCCCCCCCSc1ccc([C@H](C)N)cn1 2271488852 AYUJCHOWYXSITA-AWEZNQCLSA-N 278.465 4.720 30 10 CJEE C=C(C)CCCCNC[C@@H]1CC12CCC(F)(F)CC2 2271781815 SAVNSZLSZBPRFG-AWEZNQCLSA-N 271.395 4.538 30 10 CJEE C#CC1(NCc2cc(Cl)sc2C)CC2(CCCC2)C1 2272598585 UCKXCKUTTHOBLD-UHFFFAOYSA-N 293.863 4.526 30 10 CJEE CCCCCCCC[C@@H](CC1CC(C)C1)OCCN 2276940360 BDXFMCBZPJQKEU-JCYILVPMSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC1(C)CC(C)C1 2279454212 ZEBDIESZYSGJFH-JDEYZFBPSA-N 283.500 4.642 30 10 CJEE N#Cc1ccc(Cl)cc1OCC[C@H]1CCCCC12CC2 2279642534 GCVWEGLXWXRILA-CQSZACIVSA-N 289.806 4.951 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc2ccnn2c1 2287083705 LMRNBKOBNGQDHO-HNNXBMFYSA-N 273.424 4.885 30 10 CJEE C=C(C)CCCC[C@H](Cc1c(F)cccc1F)NCC 2287469138 CNOLINGLBTWDEN-CQSZACIVSA-N 281.390 4.622 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H]1CC12CCCCC2 2289701309 WCBBUQVAFIPRME-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C12CCC(CC1)CC2 2289788186 BOZRVQRVCCVHBN-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H]1C 2290577110 FYRIGQRMYGQHKI-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=CC[C@@H](C)C1(OCCC(=O)O)CCCCCCCC1 2290700186 UXTOXOJQSCZWTR-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)c1csc(C)c1 2291305435 GJGPKHGEWNZVCS-HNNXBMFYSA-N 296.432 4.725 30 10 CJEE C=CCCCCCC[C@@](CCC)(OCCCN)C(F)F 2292778571 HDHPYAYTLMEDKI-MRXNPFEDSA-N 291.426 4.682 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C(C)(C)C 2292888830 PXHQDDBIBLSNBR-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cccc(F)c1C 2292896737 VGAXODPDMZKIPL-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=CCC[C@H](C)[C@@](CCC(C)C)(OCCCN)C1CC1 2293139756 VAUDJFQKDBDZQK-FUHWJXTLSA-N 281.484 4.539 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=Cc1ccc(Cl)cc1 2293239101 CBCDOHHLAAAFIV-WMLDXEAASA-N 274.791 4.749 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)C1CCCC1 2293873994 RWSBOSHFBYKCOZ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C([C@@H](NCCC)c1nc2ccccc2s1)C(C)(C)C 2295381001 ASVAMLZKGMJHNS-OAHLLOKOSA-N 288.460 4.939 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCC(C)CC1 2295536735 RDKJCSQDCMNUEC-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@@H](C)CCC[C@@H]1CN 2295536776 RRKQQVBBANFKIA-OKZBNKHCSA-N 282.516 4.717 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(Cl)c2C)CC1 2301020158 VMVVLDRJCUJLFS-UHFFFAOYSA-N 270.203 4.500 30 10 CJEE CC(C)C[C@@H](CS)CSc1cc(F)ccc1F 2308068690 PULDHKNTUKFDKK-JTQLQIEISA-N 276.417 4.649 30 10 CJEE CC(C)(C)[C@@H](CS)COC(CC1CC1)CC1CC1 2313522595 NPSBZKPQDZWXPC-CQSZACIVSA-N 270.482 4.564 30 10 CJEE C=CC[C@@H](C)Sc1cc(C(F)(F)F)ccc1C=O 2313633011 OHVGKMOHRKJYNL-SECBINFHSA-N 274.307 4.575 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2cscc2s1 2313648334 OQFJCNDABWQFSU-UHFFFAOYSA-N 278.398 4.640 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@](C)(CC)C(F)F 2314994712 KXURCWNALRFBAJ-DZGCQCFKSA-N 261.400 4.782 30 10 CJEE C=C(C)CCCCNCc1ccc(F)c(C)c1Cl 2317178175 VAPIKIOICVYWCJ-UHFFFAOYSA-N 269.791 4.624 30 10 CJEE C=CCC(CC=C)[C@H](N)c1c(Cl)cc(F)cc1Cl 2318360412 IXHCVEUXJDJIOH-AWEZNQCLSA-N 288.193 4.901 30 10 CJEE CCCCCCCNCC1[C@H]2CCCCCC[C@H]12 2318451456 IWKVBYSVMFNDJS-HOTGVXAUSA-N 251.458 4.763 30 10 CJEE C=CCC[C@@H](C)[C@H](O)CCc1cc(Cl)cc(Cl)c1 2318639784 UCZNQYOGMCRVRE-IAQYHMDHSA-N 287.230 4.889 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@@H]1CCC(C)(C)C1 2319071159 GDZSGXCNRRVGTD-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@@H]1C(C)(C)C 2320133234 BGRAGBWSBXAHDY-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCC[C@H](CC)COC[C@H](CS)c1ccccc1 2328190977 QVMKZMJVHJQDIO-GOEBONIOSA-N 266.450 4.543 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1C(F)F 2333705968 BSRIICYPZJQEBF-QLFBSQMISA-N 273.411 4.782 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1CNC(C)(C)C 2335238008 KHPRBKXLVOFNIY-GFCCVEGCSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1cc2ccccc2s1 2338692967 IINJIZSLEXGQCK-KRWDZBQOSA-N 272.413 4.877 30 10 CJEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(C)c(Cl)s1 2339566069 JEDMPOBICZKRDA-QWHCGFSZSA-N 295.879 4.800 30 10 CJEE CCCCCCCCCCOCC[C@@H](N)CC(C)C 2339987588 UWBPULNTCMAEPJ-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE N#Cc1cccc(OCCC2CCCCCCC2)c1 2342178329 QOHGWTSNHJNGNH-UHFFFAOYSA-N 257.377 4.688 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CC[C@H]1C1CC1)NC 2342273390 FSBGEXDZJSZKPP-KURKYZTESA-N 263.469 4.927 30 10 CJEE CC[C@@H](OCC=CCS)c1ccc(C(F)(F)F)cc1 2343729035 FLIZAADWQVKVQI-CYBMUJFWSA-N 290.350 4.659 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(CC(C)C)cc1 2344336566 KCDUJENMAINGBU-QZTJIDSGSA-N 259.437 4.877 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]1(C)CCCC1(F)F)NCC 2344337036 NPJTXCIIXQEIJT-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)C(=O)CC1(c2ccccc2)CCCC1 2344419802 JPGBTGPSKCKPIB-HNNXBMFYSA-N 256.389 4.670 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@H]1CC12CCC(F)(F)CC2 2344458235 WLDGVXYWWGXDKY-STQMWFEESA-N 272.379 4.555 30 10 CJEE C#C[C@@H]1CC[C@H](N[C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353059962 WPIBJCDAASHADH-UPJWGTAASA-N 296.241 4.754 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1C[C@H]1C1CCCCC1 2353830076 JCTATVVZINSBKX-XIRDDKMYSA-N 284.509 4.812 30 10 CJEE CSc1cc(SCC2CC3(CCC3)C2)ccc1C#N 2353835373 LNPHWIUBARRNRR-UHFFFAOYSA-N 289.469 4.953 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@@H]2OCC[C@@H]21 2353964262 CYHMQEOWIIUORE-OKZBNKHCSA-N 282.468 4.837 30 10 CJEE CCCCCC#CC[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC 2358137881 BAQYQROCRGYHPP-QYZOEREBSA-N 275.480 4.909 30 10 CJEE C=CCCCCCCCN1[C@H]2CC[C@H](C2)[C@@H]1C(F)(F)F 2358665903 PQYYDIHQAKDPOW-QLFBSQMISA-N 289.385 4.928 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(C)c(OC)c(Cl)c2)CC1 2360213800 ZFBFZTCYYRHXDU-INIZCTEOSA-N 293.838 4.793 30 10 CJEE Cc1ccc(/N=C/c2c(C)[nH]c3ccccc23)c(C)c1 3158614 QNGDZBZDLSQCDV-YBFXNURJSA-N 262.356 4.844 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2)cc(C)c1Cl 11804362 INOAVPIYWYLIQC-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C[C@@]12CCC[C@H]1[C@@H]1C(=O)C=C3C=CCC[C@]3(C)[C@H]1CC2 34215385 KTFHYOMAVCUFEY-FQQAFBJJSA-N 270.416 4.684 30 10 CJEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 39907511 DRYJSOASMNYEPB-UHFFFAOYSA-N 296.801 4.857 30 10 CJEE Cc1ccccc1S[C@H](CC#N)c1ccccc1 55022818 RFKBRTFSJUOCGS-MRXNPFEDSA-N 253.370 4.742 30 10 CJEE C[C@@](C#N)(Cc1c(F)cccc1Cl)c1ccccc1 57740114 JSDJJWOBIPNWNT-INIZCTEOSA-N 273.738 4.503 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1ccc(C)c(C)c1 61682009 BQSVHQASZNEIQT-RDJZCZTQSA-N 271.404 4.696 30 10 CJEE CCc1sc(-c2cc(Cl)ccc2OC)cc1CC#N 77097574 UZQDMMCVNHFQSF-UHFFFAOYSA-N 291.803 4.706 30 10 CJEE CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86941822 YUVCNTRNXADADW-IEZWGBDMSA-N 284.447 4.814 30 10 CJEE CCC(CC)(CS)CN(C)Cc1cccc(Cl)c1 94580255 GKIMWAODVPMUKY-UHFFFAOYSA-N 285.884 4.508 30 10 CJEE CCC[C@@H](CS)COc1ccccc1C(C)(C)C 94582461 LQKFBGKXPKLPOJ-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE C[C@@H](CCS)CCOc1cccc2ccccc12 94583016 DGWOWNNPDUPLPI-CYBMUJFWSA-N 260.402 4.565 30 10 CJEE CC(C)CN(CCC#N)CCCCCCCCCS 97799321 HRJVUERQVXGNMK-UHFFFAOYSA-N 284.513 4.519 30 10 CJEE CCCCCCCCCCC[C@@H](O)CN(CC)CC 100689207 NINHLFXMFLAIRD-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)c(NC(C)=O)c1 103140881 OJBVJKQKZFUDNN-ZDUSSCGKSA-N 294.414 4.945 30 10 CJEE C#CC[C@H](CCC)c1cccc(Br)c1C 107511176 CAIRXLMEUCXJRA-GFCCVEGCSA-N 265.194 4.665 30 10 CJEE Cc1cc(C)c(OCC(C)C)c([C@H](C)CCS)c1 107665720 XTSLEUHUNWYNBJ-CYBMUJFWSA-N 266.450 4.762 30 10 CJEE Cc1ccc2cccc(Nc3cccc(Cl)c3C#N)c2n1 110258335 ALBCZYFOCXUHCF-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCC[C@@H](Nc1ccc(Cl)cc1)C(=O)OC 110320609 IWTVTQYOKGPSRS-OAHLLOKOSA-N 297.826 4.654 30 10 CJEE CCCCCCC[C@@H]1CCc2ccccc2[C@@H]1NC 110462157 SHFIZQAVELDPQO-SJLPKXTDSA-N 259.437 4.870 30 10 CJEE CCCCCCCN1CC(C)(C)NC[C@H]1C1CCCCC1 115227584 GSLHVYUHNPLMEH-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCCCn1c(C(=O)O)cnc1C 115673961 LUDOSRBIZYPXOF-UHFFFAOYSA-N 294.439 4.811 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ccn(C)n1 115938408 SXWSBLXANRWLBP-INIZCTEOSA-N 279.472 4.602 30 10 CJEE N#CC1(c2cc(Cl)cc(Cl)c2)CCCCC1 117177079 UFNRMHRNHPKLKN-UHFFFAOYSA-N 254.160 4.719 30 10 CJEE C=C(C)CC[C@H](NCC)c1csc2ccccc12 125788925 JTJLFQCVFGMYNW-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H](C)OCC 126518763 ZUNMMWULGGWQET-SJORKVTESA-N 286.504 4.554 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cccc(SC)c2C#N)C1 127072253 PKMMFAFJNKRYCD-CHWSQXEVSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)OCC 132561505 UPAMVAUXMRJTQT-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=CCCOc1ccc(Br)cc1C(C)C 136463752 SLGQXGTVLMUWHE-UHFFFAOYSA-N 269.182 4.527 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cc(C)nn1C 143416825 DWVHVRYOAIAJNA-KRWDZBQOSA-N 293.499 4.910 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 155995959 URQZBLCYZMJAMQ-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](CCc1ccc(OC)cc1)NC 157998120 ACCMLHWGJRATLG-QGZVFWFLSA-N 277.452 4.576 30 10 CJEE CCC1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 163958489 BSYYUGHPUTXJIO-UHFFFAOYSA-N 296.336 4.958 30 10 CJEE C=C(C)CC[C@@H]1CCCCC[C@@H]1CNCC(C)C 164930681 VIRVTKZGKOMGNM-DLBZAZTESA-N 251.458 4.785 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 185020530 XEGKXPDPSPERSW-UONOGXRCSA-N 285.387 4.555 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C(C)C 189902677 QVZPOEVXYQNCLD-IRXDYDNUSA-N 285.431 4.769 30 10 CJEE CCCC[C@@H](CC)COc1cc(C)ccc1/C(C)=N\O 215505893 GIEWQDMULHGBPI-SULWINFOSA-N 277.408 4.788 30 10 CJEE CCCCCCC[C@H]1C[C@@H](N)c2cc(Cl)ccc2O1 229069141 YRFVHVDGTJVOAP-DZGCQCFKSA-N 281.827 4.851 30 10 CJEE CCCCCCCC[C@@H](Cc1ccco1)NCC 229196437 DNYBTUITWVOTDX-HNNXBMFYSA-N 251.414 4.551 30 10 CJEE CCCCCCCC[C@H](Cc1ccoc1)NCC 229213810 SKJZGJCGRQBUGX-MRXNPFEDSA-N 251.414 4.551 30 10 CJEE N#Cc1cc(Br)ccc1Sc1cccs1 229238794 RQEFRJGJAFGIBX-UHFFFAOYSA-N 296.214 4.533 30 10 CJEE CCCCCCCCCCNCc1ccc(O)c(F)c1 232423036 NGXIXEYSMOOSDL-UHFFFAOYSA-N 281.415 4.762 30 10 CJEE CC(C)CCN(CCC(C)C)c1cc(C#N)cc(Cl)n1 232552665 MYDDBUXZLRGIPK-UHFFFAOYSA-N 293.842 4.505 30 10 CJEE CC[C@H](Nc1cccc(C)c1C#N)c1ccccc1F 234057751 QGXGYUYOCVIWAU-INIZCTEOSA-N 268.335 4.569 30 10 CJEE C(=Nc1ccc2c(c1)oc1ccccc12)c1ccncc1 252641816 ZGDMLPJJRGODIC-UHFFFAOYSA-N 272.307 4.732 30 10 CJEE C[C@@H](CC#N)c1csc2cc(Br)ccc12 260096619 RDLYMNNVCZRKNK-QMMMGPOBSA-N 280.190 4.681 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCC(F)(F)F 276389732 BMMILDUMOREUNB-UHFFFAOYSA-N 299.336 4.820 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2/C=C/CCCCC2)c1 302323483 CLYFBSGVONKKDI-BPJJOFIESA-N 260.768 4.512 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2cc(Cl)ccc2Cl)O1 310317917 XVFBZPGLADJUND-QWHCGFSZSA-N 270.159 4.517 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)CCC1CCCCC1 311345184 RTDVYQVSOADJHB-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(F)cc(OC)c1 311988373 UZUKJSGMQJMMLS-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE C=CCSC[C@H](NCCC)c1ccc(C(C)(C)C)cc1 312256563 DHARWEBFBDXZSF-KRWDZBQOSA-N 291.504 4.944 30 10 CJEE CCCCCCCCCCCCn1ncc(C)c1CN 312302153 SLQJXCIKZQAQKL-UHFFFAOYSA-N 279.472 4.571 30 10 CJEE CCc1ccc([C@@H](C)Nc2cccc(CC#N)c2)s1 313485556 XGVOXQUGOSQIGS-GFCCVEGCSA-N 270.401 4.550 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H]1C[C@H]2CC[C@H]1C2 314977731 PYQQCMIEJFBMCJ-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](CC)CO 379073157 BNOFYJLMQDVUQP-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE Clc1ccc(C#Cc2ccccc2Br)s1 383424611 RFCXIDMLDKRPEV-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE Cc1ccc(C#Cc2cc(Cl)cc(Cl)c2)s1 383567903 WDKFTECBJBRLHC-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccnc3cc(Cl)ccc23)C1 383718663 JRECMNNOOOURMV-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2ccc(Cl)cc2[N+](=O)[O-])C1 383812422 PYJONPJUWOUGNT-NHYWBVRUSA-N 292.766 4.610 30 10 CJEE N#CCCCCCNc1ccc(Cl)cc1C(F)(F)F 385280443 ZLOMVTIELITNDP-UHFFFAOYSA-N 290.716 4.855 30 10 CJEE C=CCOc1ccc(CNc2ccsc2Cl)cc1 387500801 GDDRLERDQGQRJU-UHFFFAOYSA-N 279.792 4.578 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2ccccc2)s1 393741245 HCUJLJPAVCFGGF-HNNXBMFYSA-N 271.429 4.859 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)c1ccc(Br)cc1 393817602 ZDOVBGNUWUHHJI-LSDHHAIUSA-N 296.252 4.845 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCC1)c1ccc(Cl)cc1Cl 397108372 HDWLWRRRWQTINC-ZYHUDNBSSA-N 297.229 4.584 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@@H](C#N)C1CCCC1 397136377 VNNSLRHSFADUHV-DZGCQCFKSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](c1ccc(C)cc1)C1CC1 398161220 IBZLPESLXRVKOO-QAPCUYQASA-N 257.421 4.781 30 10 CJEE CCCCCCCCC[C@@H](O)CCC[C@H]1CCOC1 400673073 GZRLZUWUGVICIQ-DLBZAZTESA-N 270.457 4.695 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](C)CC(F)(F)F 402903744 RNBSYSBRVJUFDE-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 405948539 DNTLGBFBACIXMX-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE CCCCCCCC[C@@H](O)c1cnc(C2CC2)s1 687878755 YXHBJJFGWUYFDH-CYBMUJFWSA-N 267.438 4.805 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H]1CCN(C)C1 690565895 OYOCZTZWVAPUEL-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C=O)CCCC[C@H]1C 691809241 XNXLGRANMOLYNY-OCCSQVGLSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1Cc2ccc(Cl)cc2C1 692235993 XSYNHFOYZMJQOQ-FSPWUOQZSA-N 289.850 4.532 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)CC(F)F)NN 694612211 FQJBJUZAXKNNMA-CYBMUJFWSA-N 278.431 4.640 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1ccc(C(C)(C)C)cc1 695817300 NRTAOMFHFQCZCG-CYBMUJFWSA-N 259.393 4.691 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3ccc(F)cc3)C[C@@H](C1)C2 697311009 KDFHYBCZGHADCZ-DUXAOARHSA-N 273.395 4.611 30 10 CJEE CCCCCCCC[C@]1(N)CC[C@H]2C[C@H]1C2(C)C 704417354 YDAFPZDHONCGDE-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCC[C@@]1(N)CSC[C@H]1C 704855310 WPQOVPNUKKYXJO-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@H]2C[C@H](C)CC(C)(C)C2)c1 709181300 DBHLVXCRMLDVTE-HOCLYGCPSA-N 270.420 4.518 30 10 CJEE C=CCCSCCN[C@@H](C)c1cc2ccccc2s1 710141949 SCAJXDYAIAXPIV-ZDUSSCGKSA-N 291.485 4.861 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cccc(C(F)(F)F)c1F 710495580 OLUKZTZNYBYCQH-NSHDSACASA-N 295.707 4.638 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 710641168 LLYUGEKTPBTIKR-KGLIPLIRSA-N 271.876 4.960 30 10 CJEE CCCCCCCCCCCC[C@H](F)C1CNC1 710645438 NRYWMIDWGQPDTK-INIZCTEOSA-N 257.437 4.855 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CC(C)(C)OC2(C)C)CC1 711339482 ZFPVXRAXBNNRHZ-AWEZNQCLSA-N 280.452 4.756 30 10 CJEE 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C=C(C)CCCC[C@H](NN)c1ccc(Cl)c(Cl)c1 2259208026 OSEUDJCSNWTWMN-AWEZNQCLSA-N 287.234 4.634 30 10 CJEE CCCCCCC[C@H](NC)[C@]12CCCC[C@H]1CC2 2260485286 DGJWVFFEMLLSCJ-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@](C)(N)C1[C@H]2CCC[C@H]12 2263659400 GSFZCPSXDCZDOE-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE C[C@H]1C[C@](C#N)(CC2(C)CC(C(F)(F)F)C2)CCS1 2264693573 MXCNMASULPIVDL-WTIISPKJSA-N 291.382 4.781 30 10 CJEE Cc1ccc(Cl)c([C@@H](C#N)NC2CCCCCC2)c1 2268109450 IYNGZNWZHHATCJ-MRXNPFEDSA-N 276.811 4.526 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)o1 2268755199 QELMTVRRXCOZNA-ZDUSSCGKSA-N 279.811 4.579 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cccc(Cl)c1F 2268788455 CIBIQVCYZWKXTN-AWEZNQCLSA-N 280.770 4.508 30 10 CJEE CCCCCC#CCNc1ccc2nc(C)sc2c1 2269701896 OVLIZZINTKHKPP-UHFFFAOYSA-N 272.417 4.600 30 10 CJEE C=CCCCSc1ccc(CNCC(C)C)c(C)c1 2271596347 IMIIWQSSVXUASG-UHFFFAOYSA-N 277.477 4.799 30 10 CJEE C=C(C)CCCCC(=O)c1cncc(C(C)(F)F)c1 2271751204 VFVCTWTZSONHRQ-UHFFFAOYSA-N 267.319 4.513 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(OC)c1Cl 2271797992 NKOOQKFJDSPNAR-CQSZACIVSA-N 281.827 4.746 30 10 CJEE CC[C@H]1CCC[C@H](C(=O)CC#CC2CCCC2)CC1 2274135895 HAHGNYUCFNGWDV-RDJZCZTQSA-N 260.421 4.746 30 10 CJEE CCC[C@@H]1CCC[C@@](N)(CC#CC2CCCC2)CC1 2274165703 AATDMJGTKXBZKV-SJLPKXTDSA-N 261.453 4.648 30 10 CJEE CCCCCC#CC[C@H](O)C1CC(CC(C)(C)C)C1 2274198777 VQNCKGPSILNSDT-JCYILVPMSA-N 264.453 4.784 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2274438005 INJAGFIMZPKPGU-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H](CC)C1 2276756134 PPDVJTABOYOHGA-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H](C(C)C)CO1 2278126472 DDTZNBOCXWYAED-DLBZAZTESA-N 269.473 4.735 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1ccon1 2278238429 SAXDHWUIHVXFIX-GJZGRUSLSA-N 266.429 4.854 30 10 CJEE CC(C)(C)c1ccccc1Oc1c(F)cccc1C#N 2280424052 PSPRZJLREAAJRP-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE Cc1cc(F)c([C@@H](C#N)Nc2cccc(Cl)c2)c(F)c1 2283531043 VNFXSPOHAVOUNS-CQSZACIVSA-N 292.716 4.603 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)Cc1ccsc1 2284098094 DGDRHQGWYJQRQS-KRWDZBQOSA-N 289.488 4.655 30 10 CJEE CC[C@H](c1ccccc1)[C@@H](N)CC=CC#CC(C)(C)C 2284163257 WOKJRLJKIQWXJW-MSOLQXFVSA-N 269.432 4.503 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CCCC2(CCCC2)C1 2284183656 VESAQMVXDVNOAM-QGZVFWFLSA-N 273.464 4.685 30 10 CJEE C=CCCCCCCCSCc1nccnc1NCC 2287190543 ZMXRKXDMMVSBEQ-UHFFFAOYSA-N 293.480 4.668 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC(C)C)CCO[C@H](C)C1 2287465931 CXPKXTLHAARDTL-QZTJIDSGSA-N 281.484 4.554 30 10 CJEE C(#CC1CCCC1)CN1CCCC2(CCCCC2)CC1 2289858864 GGPJWFSRSFLNFN-UHFFFAOYSA-N 273.464 4.616 30 10 CJEE CCCNC[C@H]1CCCCC[C@@H]1CC#CC1CCCC1 2289873559 FCGHUIWWWCBJNC-RTBURBONSA-N 275.480 4.766 30 10 CJEE C=CCCCCC[C@]1(OCCC(=O)O)CCC(C)(C)C1 2291440411 OERLGSWELIOCFT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCN)CCCC[C@@H]1C(C)(C)C 2293135599 XFKOWEMEMANYJF-LZLYRXPVSA-N 281.484 4.539 30 10 CJEE C#CCCCC[C@H](CCCCCCCC)OCCCN 2293342766 PEJAJKPLRDOBFW-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@@H](C)CC[C@H]1C 2293407061 FEJWRPKKFYAOQQ-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](C[C@H](C)CC(F)(F)F)OCCN 2293474680 ILJKUDPBYHCPIR-UONOGXRCSA-N 297.405 4.669 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@H]1CC12CC2 2293505409 SVBYRIWLRGHMBK-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1CC12CC2)OCCN 2293623946 OOUZEURXUQOIJO-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](OCCN)C1CCC2(CC1)CC2 2293663646 NVVMQHDLSPEQPO-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@H](OCCN)C1CCC(C)(C)CC1 2293881399 IKMPMSORTRGQMQ-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@](C)(C[C@H](C)C(F)F)OCCCN 2293890185 MQNQCXCIJMQBTP-GOEBONIOSA-N 291.426 4.538 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@@H]2CC[C@H]21 2294356491 PAHAFIBYBCPPSL-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC[C@H]2C[C@H]1CO2 2295685087 UARJLXHPNHCMOG-OWSLCNJRSA-N 281.484 4.673 30 10 CJEE C=CCC[C@H](C)N(C)CCCCCCCCCCCN 2296286883 PTLGXQUZAYGBEM-SFHVURJKSA-N 282.516 4.743 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCCC[C@H]1N 2298896841 STWNLJDSRZVUNM-RRFJBIMHSA-N 255.471 4.515 30 10 CJEE C=CC[C@@H](C)[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2307671575 RTMHPVCYGDNHFG-OTYXRUKQSA-N 273.203 4.722 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2312902735 HFNWQAGBBDZMPH-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)C1(C)CCCCC1 2313646055 VRIPRGFNMUGYIY-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE C=CCCCCOc1ccc(CC(F)(F)F)cc1 2315147348 RQMZXXGKMPVTPA-UHFFFAOYSA-N 258.283 4.527 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1scc(C)c1Cl 2315713869 OKJSMIANARCAIU-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE CC1=CC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2C)CC1 2316721725 KSEWFSYUJKIVCN-LBPRGKRZSA-N 283.198 4.770 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(OC)c(Cl)s2)CC1 2317956009 VCNRSGVFQNBKRC-NSHDSACASA-N 286.824 4.580 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@H]1CC[C@H](CC)CC1)NCC 2321104248 DSQMKRQDRQEOEU-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cc(Cl)ccc1Cl)NC 2321107783 JJVLVAPKENMTOQ-AWEZNQCLSA-N 286.246 4.726 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CCC(C)CC1)NC 2321133118 DABKKUMJSSJQOK-BHUNQDJPSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(C)c1F 2321176500 DNSJAGFECYDQOX-HNNXBMFYSA-N 268.759 4.963 30 10 CJEE C=CC[C@H](CC[C@H]1CCC(C)(C)C1)CNC(C)C 2321619148 JKUHTIJGEVRKIJ-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C#N)CCC(F)(F)C2)C1 2321630930 LHHQLXNAGCFFEP-OCCSQVGLSA-N 255.352 4.922 30 10 CJEE C=C1CC([C@@H](NCC)c2cc(Cl)c(C(F)F)s2)C1 2321845713 MVXZJFOXSKZKQO-LLVKDONJSA-N 291.794 4.956 30 10 CJEE CCC(CC)=NOC(=O)C=Cc1ccc(C(C)C)cc1 2329929678 FZJHXONGISTFBT-UHFFFAOYSA-N 273.376 4.542 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCC2(CCCCC2)C1 2337080080 CJFXVZHASRFCQH-IKGGRYGDSA-N 261.453 4.824 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC[C@H](C)c1ccccc1 2337108603 HNAPGLWWEXZIAB-CGTJXYLNSA-N 257.421 4.515 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)(C)C)CC[C@@H](C)C1 2338727746 NORBCRGGYWIPHI-CRAIPNDOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2338740596 GSSPTXDKTSVWEW-MXSMSXNCSA-N 261.453 4.559 30 10 CJEE C=CCC[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2339080631 SUAIWGAINQHPCT-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1ccc(F)c(C)c1Cl 2339315997 HHANBQHPYWSRJE-MRXNPFEDSA-N 283.818 4.522 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339383682 IWWWQAFJOJXSFF-ZACQAIPSSA-N 261.453 4.561 30 10 CJEE CCCC[C@H](CC)[C@H](C#C[C@H]1CC1(C)C)NCCC 2339567867 MZVMKKFFYBXGRL-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@@H](C#C[C@H]1CC1(C)C)NCC 2339570781 ZLIDRSYPXXQNBO-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCOC[C@H](O)CCC1CC1 2340857245 VHCGNUUTNXQFGR-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCC=Cc1ccccc1 2344341786 FCJVTVWYGMCCPY-MSOLQXFVSA-N 257.421 4.800 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(CCC)c1 2344347343 AVHVNCUWOMUJRI-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(F)cc(C(F)F)c1 2344379814 JNZGPLSFWGALON-UKRRQHHQSA-N 271.326 4.756 30 10 CJEE C=CCC(CC=C)SC[C@@](C#N)(NCCC)C(C)(C)C 2360207805 KPKFORYZLCQSFK-QGZVFWFLSA-N 294.508 4.548 30 10 CJEE Clc1nc2ccccc2cc1/C=N\C1CCCCC1 3445869 VTIKTMHLDDFBNG-WQRHYEAKSA-N 272.779 4.640 30 10 CJEE CCCCS[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 36333124 OVXNSZSAOGROMU-MCIONIFRSA-N 253.455 4.874 30 10 CJEE CCOc1ccc([C@@H](C#N)Cc2c(C)cc(C)cc2C)cc1 57760755 JDBHPAGAXBULFE-GOSISDBHSA-N 293.410 4.860 30 10 CJEE CSc1ccc(/C=N/c2cc(C)cc(C)c2)cc1 59518746 ZVTPOHFEPNIZBI-GZTJUZNOSA-N 255.386 4.776 30 10 CJEE CCOc1cccc(OCC)c1-c1cc(C#N)c(C(C)C)o1 77079592 XQBLOTIJTWBZAD-UHFFFAOYSA-N 299.370 4.739 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccccc2C#N)CC1 86922567 OZQKSVJNIQYTHD-HOCLYGCPSA-N 256.393 4.719 30 10 CJEE CC(C)(C)SC1(C#N)CC2(CCCCCC2)C1 87116216 WTNZVTYZBUFWKA-UHFFFAOYSA-N 251.439 4.915 30 10 CJEE N#CC1(Cc2ccc(OC(F)(F)F)cc2)CCCCCC1 87945783 UFJRCCNMMTVHCT-UHFFFAOYSA-N 297.320 4.992 30 10 CJEE C=C(CC)CC1(C(=O)O)CCC(C(C)(C)C)CC1 93115496 SSGRDJKDHCCDHE-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE CCC[C@@H](CS)CSc1ccc(C(F)(F)F)cn1 94589090 LGEBUEHWANVESV-VIFPVBQESA-N 295.395 4.539 30 10 CJEE CCCCCC(C)(C)CN[C@H](CC#N)c1ccccc1 94987622 JRXXCWFAQHODHV-QGZVFWFLSA-N 272.436 4.837 30 10 CJEE CCCCCCC[C@](C)(C#N)NC1CCCCCC1 103969093 JQZPLIAXXSBYRO-QGZVFWFLSA-N 264.457 4.942 30 10 CJEE CN(Cc1ccc(Cl)s1)c1ccc(C#N)cc1Cl 104015082 CTMAIXVOWINPIX-UHFFFAOYSA-N 297.210 4.563 30 10 CJEE CCCCCCCc1noc(N)c1-c1ccccc1F 109168388 UDWLGASRGFVGNB-UHFFFAOYSA-N 276.355 4.576 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ncccc1C 109713437 SKSMBRQFWKUEQJ-MRXNPFEDSA-N 263.425 4.954 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1ccc2c(c1)CCC2 109945295 ZRFQPEHJQUJOCE-AWEZNQCLSA-N 276.383 4.529 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(F)c(C#N)c2)cc1 109947798 XUZXYXNHKWDHEK-UHFFFAOYSA-N 282.362 4.607 30 10 CJEE CCCCCCCOc1ccc(CNCC(C)C)cc1 110098365 VDRCUTNCOPHFHQ-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCN(c1cccc(F)c1)c1cc(Cl)ccc1C#N 110257200 XURADRTUQWPPAF-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC)CC(CC)CC)C1 110263981 UWTUGYFYPZIJBA-KZNAEPCWSA-N 278.484 4.853 30 10 CJEE CC(C)(C)c1nn(C2CCCCCC2)c(Cl)c1C#N 111468256 KOMPPFTVVQEQSU-UHFFFAOYSA-N 279.815 4.601 30 10 CJEE CC1CCC(C#N)([C@](C)(O)c2cc3ccccc3s2)CC1 127291100 ZSPOYWIFOJHXNK-LKGZKJKYSA-N 299.439 4.829 30 10 CJEE CCCCCCCCCCN1CCCN2CCCC[C@@H]2C1 129487017 XZSNHHOIARPQOU-LJQANCHMSA-N 294.527 4.687 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc2c1OCC2 133294639 PFBONDODOITHBT-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H](C)OC)NC 139457492 XPXHRBPLUUFRHI-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccccn1)NC 139491141 VLUPTCFXVPHVKH-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CC(C)CCC[C@@H](C)NCc1ccc(C#N)cc1Cl 162652870 RNAXMZJAHYUMHY-CYBMUJFWSA-N 278.827 4.516 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(N)cc1F 165412792 PIKFEKMOPYZXEY-FQEVSTJZSA-N 299.455 4.656 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 167449880 YTIBEVQBNVYXMI-JOYOIKCWSA-N 284.186 4.606 30 10 CJEE Cc1cccc(N[C@@]2(C#N)C[C@H](C)CC[C@H]2C(C)C)c1 218576601 ROEQRPHKFFVJQE-BPQIPLTHSA-N 270.420 4.762 30 10 CJEE CC1(C)CCCC[C@H]1C(=O)[C@@H](C#N)c1ccc(Cl)cc1 226592538 QVNQYHGTJNTIBT-GJZGRUSLSA-N 289.806 4.733 30 10 CJEE CCCCCCCCNCc1cc(Cl)cc2c1OCC2 228478488 HVHXHHBBGBVYGD-UHFFFAOYSA-N 295.854 4.725 30 10 CJEE CCCCCCCCCCNCC1CCSCC1 229260462 WDDOBXZCSFFBMC-UHFFFAOYSA-N 271.514 4.860 30 10 CJEE CCCCCCC[C@@H](Cc1ccnc2ccccc12)NC 229598236 GCXKOCJETCIMLU-KRWDZBQOSA-N 284.447 4.726 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(C)C[C@@H]1C 229606457 QQNFBVLSWVDTMU-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CCCCCCCn1ccc2cc(C[C@@H](C)N)ccc21 229743011 DQYQAAVIUZYNOJ-OAHLLOKOSA-N 272.436 4.501 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccccc1OC(F)F 229758851 UWFGCJDUHDOKTG-CQSZACIVSA-N 283.362 4.685 30 10 CJEE CCCCCCCCC[C@H](CCC(C)(C)OC)NC 231019371 AUDBWRLQHLHUNV-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE Cc1ccc(NCCCCCCC(C)C)c(C#N)c1 232541951 IDTUZIMYNJXWQQ-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE CCCCCCCCCC[C@H](O)c1cccc(N)c1 232920709 UUQDTRVDDZMXLL-KRWDZBQOSA-N 263.425 4.833 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@H]1CNCCC 232962538 NARKKBBSNKVZHP-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1C[C@@H](N)CC 234044217 CNKNSDQGEKRSHE-AWEZNQCLSA-N 295.854 4.745 30 10 CJEE C=CCCCCCN[C@@H](C)c1cccc(Cl)c1 235511033 FXRXZTDYGZGNCQ-ZDUSSCGKSA-N 251.801 4.737 30 10 CJEE O=C(C1=CCCCCCC1)C1CCC(F)(F)CC1 236142615 CCNQXXYZDLIASV-UHFFFAOYSA-N 256.336 4.662 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 251196340 DZSBGITVNQMZSY-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 307948780 MEZPPTZFLQUPMS-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE C=CCCCCCCN[C@@H](C)c1sccc1C 310260728 ZHGZIKNGSXELKE-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE Cc1nc(S[C@@H]2CCC[C@H](C)C2)c(Cl)cc1C#N 311067294 CKGJQCATOHTWJN-JOYOIKCWSA-N 280.824 4.586 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H]1C[C@H]2CC[C@H]1C2 312252787 WTWZWRWVKIFWMI-XLAORIBOSA-N 275.480 4.621 30 10 CJEE C#CCCCC1(CNC(C)C)CCC(C(C)C)CC1 317386632 AKOUYAZELPJDOB-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE C[C@H]1CC=C(C(=O)CC/C=C/c2ccccc2)CC1 323809473 NMIMHQQMPAXMKK-BOSPYUDASA-N 254.373 4.796 30 10 CJEE CCC(=NO)c1ccccc1OCCC1CCCCC1 379874712 IYOCXIITKGUNGY-UHFFFAOYSA-N 275.392 4.624 30 10 CJEE CC(C)(C)C[C@](C)(C#N)Nc1ccc(Br)cc1 384879719 ICGXXJSDNNKAJO-CQSZACIVSA-N 295.224 4.579 30 10 CJEE C=CC[C@@H](CCCOCc1ccccc1)CNC(C)(C)C 386786695 MFIJUMWMGBNTTP-KRWDZBQOSA-N 289.463 4.564 30 10 CJEE CC1([C@@H](O)C2(C#N)CCCCCCC2)CCCCC1 394761747 WWSMXFZKVQQNMC-OAHLLOKOSA-N 263.425 4.572 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H]1CC(C)C 397014976 AIWFKLCRGRWMCE-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE N#C[C@H](CSc1ccc2c(c1)CCC2)C1CCCCC1 397123331 KBCGQBYYWWRWAX-QGZVFWFLSA-N 285.456 4.987 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1Cl)[C@@H]1CC1(C)C 397686256 LPFQHEXYXZTIQX-ZBFHGGJFSA-N 276.811 4.860 30 10 CJEE CCc1cc(OC(F)F)c(C(F)(F)F)c(C(F)F)c1 575654691 UUENVXOJBDPZRI-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CCc1cc(N[C@H](C)c2ccc(C#N)cc2F)ccc1F 586794709 BJRVRIMZWKNYMH-LLVKDONJSA-N 286.325 4.572 30 10 CJEE C#CCCCCCSc1ccc([C@H](C)NCC)cc1 686702344 GQWPFQUHZBCBLB-HNNXBMFYSA-N 275.461 4.643 30 10 CJEE C#CCCCOc1ccc(Cl)cc1Cc1ccccc1 686894647 KQOGSWZSFMUMTA-UHFFFAOYSA-N 284.786 4.723 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]1OC 690012245 ATDSOMJULTWFEZ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](C)NCC1(SCC)CC1 691846898 CANNCMQLAXKWET-CQSZACIVSA-N 257.487 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cn1 692235352 RDTLDTXIKOWUAG-GDBMZVCRSA-N 272.436 4.926 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](CC)c1cccs1 692254930 PSRNFOLFYKUOPZ-RBSFLKMASA-N 263.450 4.924 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1ccns1 694603246 UTVWGSNTHYDCPE-OAHLLOKOSA-N 282.497 4.934 30 10 CJEE CCCCCCCCCC[C@@H](O)CCNC(C)(C)C 695393187 FWWDMXLWOCMQMS-MRXNPFEDSA-N 271.489 4.656 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)cc1C#N)[C@H]1CC1(C)C 695674136 MMKZPDQIOOXHEP-UKRRQHHQSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1C=C[C@H](N)C1 697385029 NYQLVXZPVPXZCF-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)CCCCCCC 698894633 ZVFNBDABONXPDR-HNNXBMFYSA-N 294.439 4.662 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCc2ccc(C)cc21 704042501 ZQUDVSXLLFFBTF-KRWDZBQOSA-N 257.421 4.564 30 10 CJEE C=CCCC(C)(C)CNc1cc(C(C)(C)C)ccn1 707767678 MFDCMYMNWHHODR-UHFFFAOYSA-N 260.425 4.783 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2c(c1)OCC2(C)C 707879600 DGTXNBSVXABDFF-MRXNPFEDSA-N 276.420 4.751 30 10 CJEE Cc1nc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(Cl)cc1C#N 708333550 ZCOSURZMJCRNKC-ZWNOBZJWSA-N 291.826 4.542 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC 710697306 OWBNYAYXYVJZJZ-RRQGHBQHSA-N 279.855 4.937 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)[C@@H]1CCCCO1 711852198 SHSCPLSNBLHMRQ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1C[C@H]1C1CC1 712637296 JSNPYYQNJXDHBE-UAGQMJEPSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](N)C(C)(C)c1ccncc1 714323311 RVQSFLLFQFIMHP-QGZVFWFLSA-N 276.468 4.827 30 10 CJEE C=CCCC(C)(C)N[C@@H](c1ccccc1)C(F)(F)F 717943294 FIQXCUMLZQIDKV-ZDUSSCGKSA-N 271.326 4.624 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccc(F)cc2F)C1 719377676 PCCYTTFRPYHNNE-OXJKWZBOSA-N 263.331 4.644 30 10 CJEE CCCCCCCC1(CNC2CC2)C[C@@H](C)O[C@H](C)C1 724282982 QZTKPRUFHIUVRW-HZPDHXFCSA-N 281.484 4.673 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Br)oc2C)CC1 724578436 YBJYXGSYDBHLIM-ZDUSSCGKSA-N 299.208 4.520 30 10 CJEE CSc1ccccc1C#Cc1cccc(C(F)(F)F)c1 725404382 UGCIURDCRWOHSN-UHFFFAOYSA-N 292.325 4.827 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1C 1126755139 SJIGLZARJFFGJO-NSHDSACASA-N 285.309 4.555 30 10 CJEE CCCCCCCCN(C)Cc1ccc(Cl)nc1 1137167166 ZBFAWYCFDZGVAH-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](CC)c1ccccc1 1167139017 VGEYGYMROCPRJG-IBGZPJMESA-N 283.390 4.965 30 10 CJEE C=CCCCCCN[C@H](Cc1ccccc1)C(C)C 1176129612 GLCMDOBQKFLRBF-GOSISDBHSA-N 259.437 4.590 30 10 CJEE C=CCCc1ccccc1NCc1ccc(F)c(C)c1 1178553385 PCABUVQDNFXVOZ-UHFFFAOYSA-N 269.363 4.865 30 10 CJEE C=CCC[C@H](C)NC[C@]1(Cc2ccccc2)C=CCCC1 1183279736 CEYQHOLFMOZQJB-AZUAARDMSA-N 283.459 4.900 30 10 CJEE C=C[C@@H]1CCCCN1c1nc2cc(Cl)cc(Cl)c2o1 1186316477 VCSKBOKCWAYBQA-SNVBAGLBSA-N 297.185 4.680 30 10 CJEE C=CCCCN1CCC[C@H]1c1ccc(C(C)C)cc1 1193002623 LGBFBVHYMKDEIF-SFHVURJKSA-N 257.421 4.913 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(Cl)c1 1264302099 PCASHKHZTSKHPF-UHFFFAOYSA-N 284.186 4.700 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc(Cl)c(Cl)c1 1350596274 MYXKUZCYAAINRB-CYBMUJFWSA-N 273.159 4.501 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](C)c1oc2ccccc2c1C 1442119168 HSTNSEQZXHDMEU-AWEZNQCLSA-N 285.387 4.521 30 10 CJEE C=CCCCCCN(C)C(=O)C1(CC=C)CCCCC1 1456672903 ZHOQWKDGFOJKNL-UHFFFAOYSA-N 277.452 4.718 30 10 CJEE C=CCCCN(Cc1ccc(F)cc1F)C1CCCC1 1459740560 OBZBHJZKULFLGW-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(SC)c1 1460910737 FMXSDPYMXSHYHY-SNVBAGLBSA-N 283.824 4.603 30 10 CJEE C=C(C)[C@H]1OCC[C@H]1CNC1CCC(C(C)(C)CC)CC1 1461462569 PXGPLXPCAXRSBR-FCCDEINASA-N 293.495 4.552 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H]1CC(C)(C)C[C@@H]1C 1462333519 OMQFCHDAKWAFLJ-JQHSSLGASA-N 271.448 4.588 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1SC(C)C 1466051117 IXPVOIYOBPWNPN-UHFFFAOYSA-N 277.433 4.728 30 10 CJEE C=CCN(C(C)C)[C@H]1C[C@H](C)Sc2sccc21 1474334403 OCSKMTYGCMCJLR-AAEUAGOBSA-N 267.463 4.570 30 10 CJEE C#C[C@H](N[C@H](C)CCC1CCCCC1)c1ccc(F)cc1 1474544522 QOTOZOTZLIAFPO-BEFAXECRSA-N 287.422 4.839 30 10 CJEE C=CCCCC(=O)O[C@H](CC)c1cccc(Cl)c1F 1517268177 CBGBPCCIKCCURQ-CYBMUJFWSA-N 284.758 4.830 30 10 CJEE C=CC(C)(C)C(=O)Nc1nc2c(ccc3ccccc32)s1 1521229518 JAEOELAJEJUYOL-UHFFFAOYSA-N 296.395 4.600 30 10 CJEE C=CCC(C)(C)C(=O)OCc1ccc(SCCC)cc1 1521869494 BMSCRJFNNGPRDS-UHFFFAOYSA-N 292.444 4.834 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@H](CC)CC(C)C)c1 1528138504 PKHZPHIEYCBSSY-OAHLLOKOSA-N 289.419 4.652 30 10 CJEE C=CC1(CC(=O)N(C)C[C@@H](C)c2ccccc2)CCCCC1 1529856907 DLRAGVYBVPACOU-QGZVFWFLSA-N 299.458 4.775 30 10 CJEE C=CCC(CC=C)C(=O)N(CCC)c1ccc(Cl)cc1 1531455746 JNTPBDBTOHVZGN-UHFFFAOYSA-N 291.822 4.851 30 10 CJEE C=CCN(C(=O)CCCc1ccc(C)s1)c1ccccc1 1532544820 AWCVKTRIWUAPDX-UHFFFAOYSA-N 299.439 4.598 30 10 CJEE C=CCCCC(=O)N[C@@H](CCCC=C)c1ccccc1 1533766137 JCUHIQXRJNDFPI-KRWDZBQOSA-N 271.404 4.557 30 10 CJEE C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1533999011 SXHSBPNKVNXPEF-HNNXBMFYSA-N 299.458 4.560 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 1543285586 YPTHKAMFKNRSCV-CJNGLKHVSA-N 291.822 4.606 30 10 CJEE C=CCC[C@H](NCCCC(C)(F)F)c1ccccc1 1559696192 REXPDHDGCKSAFL-HNNXBMFYSA-N 267.363 4.719 30 10 CJEE C=CC1(CC(=O)NC[C@H]2CCC=CCCC2)CCCCC1 1586174704 QDGJMEAGLUFDTD-KRWDZBQOSA-N 289.463 4.766 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C2CCC2)cc1 1617465263 FCTSMVDBJAAGMO-MJGOQNOKSA-N 297.442 4.819 30 10 CJEE C#CCC1(NC(=O)C[C@@H](C)CCCCCC)CCCCC1 1626675952 LGEBITZFPPEHRE-KRWDZBQOSA-N 291.479 4.825 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H]1C=CCCCCC1 1641569308 ZIUMTXZFWZQTME-KRWDZBQOSA-N 273.395 4.703 30 10 CJEE C=CCCCN1CC=C(c2ccccc2C(F)(F)F)CC1 1644827147 CPPIHNOWOQAHTP-UHFFFAOYSA-N 295.348 4.761 30 10 CJEE C=C(C)CCN(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 1646577279 BPXRAWGDWMDGIW-OAHLLOKOSA-N 293.838 4.624 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 1648717491 DXJFRQVENPWHTF-SWLSCSKDSA-N 283.337 4.540 30 10 CJEE CC(C)(C)CN(C/C=C\c1ccc(Cl)cc1)CCC#N 1653418766 BSIASSJKVUOREY-XQRVVYSFSA-N 290.838 4.615 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@H](CC=C)C2)CCCC1 1656622691 MDIPQCSCKZQUIY-DLBZAZTESA-N 261.453 4.847 30 10 CJEE C#Cc1cccc(CN[C@H]2CCCC[C@H]2C2CCCCC2)c1 1659457156 DIYAWJLAAXPNBV-SFTDATJTSA-N 295.470 4.897 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C(C)(C)O)cc1 1866090125 DURWMVCCTQZBAD-UHFFFAOYSA-N 291.435 4.603 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2CC3(C2)CC32CC2)C1 1877099322 PEBBREJIIKPYMZ-HQVVEAJESA-N 260.421 4.742 30 10 CJEE CCCCCCCC[C@@H](C[C@@]1(C)CCCOC1)NC 1877751935 JLLZTJYQFWTVOM-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@H](CC)CC(F)(F)F 1879652041 YTUXUXAXZUUVIJ-ZIAGYGMSSA-N 277.374 4.527 30 10 CJEE C=C1CCC(CN(C)C2C[C@@H]3CCCC[C@H]3C2)CC1 1884408076 UGRCUQBXZYMRKC-IRXDYDNUSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@@H](N)c1ccc(C(C)(C)C)cc1 1885245719 WYEVLERVCNDDKB-QGZVFWFLSA-N 257.421 4.568 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cnc(C(F)(F)F)s1 1886967976 BJAOOKRBJDQMCT-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H](CC)CCN1 1912749730 IBGOLMKIMAPJFT-IRXDYDNUSA-N 281.484 4.865 30 10 CJEE CCCCCCCCN(Cc1ccccc1)[C@@H](C)CCN 1915377167 FQPISACQBIBFIC-SFHVURJKSA-N 290.495 4.586 30 10 CJEE N#C[C@@]1(NC2CCCCCC2)CCC2(CCCCC2)C1 1915880024 LLHBLPHHTKBNBH-GOSISDBHSA-N 274.452 4.696 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H](C)C(C)(C)C)NC 1920809845 DORRABKQTGWSEF-RYRKJORJSA-N 285.516 4.758 30 10 CJEE CC(C)(C)c1csc(C[C@@]2(C#N)CCCC23CCC3)n1 1921635944 KTSQVWKTBUZSID-QGZVFWFLSA-N 288.460 4.847 30 10 CJEE C=C(C(=O)c1ccccc1C1CCC1)[Si](C)(C)C 1922884742 GBUSVZSTLMQOSX-UHFFFAOYSA-N 258.437 4.570 30 10 CJEE C=C([C@@H](NCC)c1cc(C)ccc1Cl)[Si](C)(C)C 1925523118 DCCLJVKILWUBDC-OAHLLOKOSA-N 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30 10 CJEE C=CCCCCCCCCN[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264464908 FWBPOQTYJTXUTK-RGUZKJPTSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(NCC[C@@H]1CCCCC12CC2)C(F)F 2264994853 JBZLGQXSIKFCSA-ZFWWWQNUSA-N 271.395 4.536 30 10 CJEE C=C([C@H](C[C@H]1CCCC12CC2)NCCC)[Si](C)(C)C 2266613718 PFVZDHBNRZMKSE-CVEARBPZSA-N 279.544 4.759 30 10 CJEE N#Cc1ccc(Cl)cc1OCC[C@@H]1CCCC12CC2 2266656890 QZUZVSCOHNMXNL-ZDUSSCGKSA-N 275.779 4.561 30 10 CJEE CCc1cccc(F)c1Nc1ccc(C#N)cc1Cl 2267946143 PFORPLHANWYJIS-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE Cc1cc(Cl)cc([C@H](O)CC=CC#CC(C)(C)C)c1 2268755283 RGQQUESIEMSHNS-MRXNPFEDSA-N 276.807 4.678 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](CC)C(C)C 2268759193 NPEXRKAVTXDEOA-DLBZAZTESA-N 263.469 4.643 30 10 CJEE CC[C@H](CC(C)C)[C@H](CC=CC#CC(C)(C)C)NC 2268816828 PIDFHAZCKMASQE-SJORKVTESA-N 263.469 4.643 30 10 CJEE COC[C@]1(C)C[C@H]1C[C@]1(C#N)CCCC(C)(C)CC1 2269232331 SIYRWVAWPPOJSE-XIRDDKMYSA-N 263.425 4.549 30 10 CJEE N#Cc1ccc(S[C@H]2C[C@@H]3C[C@@H]3C2)c2ccccc12 2270164506 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284.230 4.669 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@](C)(F)C(C)(C)F 2327939632 HACWEGVASRQHHP-UKRRQHHQSA-N 263.416 4.931 30 10 CJEE C=CCC(CC=C)SC[C@H]1CCC[C@H](NCCC)C1 2335099825 CBOQWKIJWWDROG-HOTGVXAUSA-N 281.509 4.799 30 10 CJEE CC[C@@](C)(COCC1(CS)CCCCCC1)C(F)F 2336443934 CLACAFXKZLDVHR-AWEZNQCLSA-N 294.451 4.955 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC 2338659193 CTOJLHRWJKEMMN-OIISXLGYSA-N 263.469 4.805 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCC[C@@H]1C(C)(C)C 2339904674 ISHSVYPHYAVKHY-RDJZCZTQSA-N 255.405 4.685 30 10 CJEE Cc1ccnc(Nc2ccc(Cl)c(C)c2Cl)c1C#N 2340142323 OVJAECTXGZCBGW-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC(C)(C)[C@@H]1C 2340644193 PEHHMPQKWVNJDZ-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2343212676 LBFIIQIMIQUFDB-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CCCCC[C@@H](NC)c1cccc(C2CCC2)c1 2343778187 USXDIEFPVYMRIV-GOSISDBHSA-N 257.421 4.961 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC#CC1CCCC1)NCC 2344335646 BFSXCLGJOQMCKA-QZTJIDSGSA-N 261.453 4.541 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(F)ccc(C)c1F 2344343779 FURSNDGGSKPFLW-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CCC(F)CC1)NCC 2344344423 SAVQYCCRAZPVIQ-BHUNQDJPSA-N 269.448 4.875 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cc(F)ccc1Cl)NCC 2344346391 SDHGQASTPHCEDZ-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cccc(CC)c1 2344381446 UXIFXVGVIOWHBM-MSOLQXFVSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccccc1C)NCC 2344381482 VFIAVKUDNQTSMM-ZWKOTPCHSA-N 259.437 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)c(OC)c1 2344382227 FMDONPHLIBZSQX-HOTGVXAUSA-N 281.827 4.602 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2C[C@@H]3CC[C@H]2O3)CC1 2354991382 QRSGUYOZRHGHHK-XTCFQUFBSA-N 275.436 4.690 30 10 CJEE C=C(C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)c1ccccc1 2357491939 FXPWYWCZLCQRIW-BZSNNMDCSA-N 268.400 4.875 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2358138249 LPYJPLCBYZRLLD-RRFJBIMHSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@H]1C)NCCC 2358323857 ZHKJAHCXUVVULF-XDNAFOTISA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)SCc1cc([C@@H](C)NC)ccc1OCC 2360207093 FJTOIOFCNVWKEJ-UONOGXRCSA-N 293.476 4.564 30 10 CJEE C/C(=N/Nc1ccc(F)cc1F)c1ccc(Cl)s1 3909002 GDBCQIDTVJUETR-APSNUPSMSA-N 286.734 4.516 30 10 CJEE O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1ccc[nH]1 33396656 AEWGXBKVOLFPNT-QXMHVHEDSA-N 289.334 4.703 30 10 CJEE CC[C@@H](CC#N)Nc1c(Cl)cc(Cl)cc1Cl 36680763 HCXCYBQHTRILEY-QMMMGPOBSA-N 277.582 4.751 30 10 CJEE CCCCCC[C@@H](C)OCCCOc1ccc(C#N)cc1 37138635 OYMQUYFCAZJIEQ-MRXNPFEDSA-N 289.419 4.703 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153980 LPPGCMULUPQTTF-JTNHKYCSSA-N 288.441 4.717 30 10 CJEE CCCCCN(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37171584 WPXNOVGHLQDBTN-BRWVUGGUSA-N 278.484 4.853 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 37393147 JLEBGIDJDDWGTN-LLVKDONJSA-N 250.773 4.592 30 10 CJEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21CC 44963297 MXXKGWYLIJQEBP-LPYKTLRWSA-N 298.470 4.704 30 10 CJEE CCCCCCCNc1cc(NC(=O)CC)ccc1C 59422885 XKXHRPBOKMPGPM-UHFFFAOYSA-N 276.424 4.726 30 10 CJEE N#Cc1ccc(Sc2ccc(F)cc2F)cc1Cl 61855637 WSTYHPRQTRPYDO-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CC(C)c1ccccc1Nc1cccc(F)c1C#N 71575704 YWHGYNUMXLWKMT-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCc2ccc([N+](=O)[O-])cc2)C1 87972697 LXYCYNVBRTWVPT-PBHICJAKSA-N 286.375 4.638 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 91881558 DMPXTSLWEGKGJZ-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C=C(C)CC[C@@H](N)c1cccc(OCc2ccccc2)c1 97419612 NXMKIGISBWNPIE-LJQANCHMSA-N 281.399 4.622 30 10 CJEE CCC[C@@H]1CCN(CCCCCCCCCS)C1 97799581 JBYOARVCHLJDGJ-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE CCCCCCCCn1c(C(C)(C)O)nc2ccccc21 101904462 DZAIITXMFAOACR-UHFFFAOYSA-N 288.435 4.624 30 10 CJEE CC#C[C@@H](C)Cc1cc(Cl)c(C)cc1OCCC 107622411 VGRRKVZZORTHDP-GFCCVEGCSA-N 264.796 4.639 30 10 CJEE CCCCCCCCCNC(=O)c1ccc(C)c(C)c1 108642299 KPLMCIHZMCNFCL-UHFFFAOYSA-N 275.436 4.784 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(F)c1)NC 109728342 CSTGJQYZDWYROK-QGZVFWFLSA-N 265.416 4.707 30 10 CJEE CCCCCCCCO[C@H](C)CCCNCC(C)C 110171295 RDZOJONQZNPTMQ-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2ccc(C(F)(F)F)cc2C#N)C1 110255275 SQSNIRIGMAYIDB-SMDDNHRTSA-N 296.336 4.592 30 10 CJEE CCCCCCCCN[C@@H](C)c1c(F)cccc1F 112936069 NXCPSCKPVZMJBO-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1ccc[nH]1 115064745 XIRDEVYBOHXVNH-MRXNPFEDSA-N 251.414 4.969 30 10 CJEE CCCCCCCCc1nnc([C@H](C)NCCC)s1 115275074 XGOHROOBXDNANS-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)c1cccs1 123454800 SLFRUQIQNMNPPJ-MRXNPFEDSA-N 281.465 4.848 30 10 CJEE CCCCCCCCCC(=O)c1cccc(N)c1C 124268960 KVEJFYCRMHMUNY-UHFFFAOYSA-N 261.409 4.901 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(C)c1Cl 130069054 WFGNQSPMMWHCSW-AWEZNQCLSA-N 268.832 4.513 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(N(C)C)c1 135381388 DGBIJIFGGSLQRV-QGZVFWFLSA-N 263.425 4.537 30 10 CJEE C=CCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 156322700 QPDHBCBPWANABS-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE N#CC1(Cc2ccc3c(c2)CCC3)CCCCCCC1 156748596 XENWVSIKHHRRJV-UHFFFAOYSA-N 267.416 4.972 30 10 CJEE CCCCCCCC[C@@H](NCCC)C1(OC)CCC1 158207839 FKHVZMQOPSSWKU-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCN[C@H]1C[C@H](OCC(C)C)C1(C)C 159185165 NLJLEQOJKXDPOU-IRXDYDNUSA-N 283.500 4.776 30 10 CJEE C=CCCN[C@H](c1cccs1)c1ccc(Cl)s1 161711880 VLSFWGRSUXJBMU-CYBMUJFWSA-N 283.849 4.718 30 10 CJEE C=CCN(c1cccc(F)c1[C@@H](C)NCCC)C(C)(C)C 162273349 LYOGTHZMAWLDLE-CQSZACIVSA-N 292.442 4.677 30 10 CJEE CCCCCCCCCC[C@@H](N)C1C[C@H]2C[C@@H]2C1 162328655 WTYWPTIQHSRFIF-BFYDXBDKSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1oc2ccccc2c1CC 162641005 VDRLTQINKKNOFK-QWHCGFSZSA-N 257.377 4.610 30 10 CJEE C=CCC[C@H](NCCC)C1(CC(C)C)CCCC1 167767194 VUWJCUXULPKJJJ-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)CC1 168283062 PGGHMTCCPQLCQD-ZFWWWQNUSA-N 274.383 4.858 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)c1cc2ccccc2s1 169179638 WTQJUWAZTBUNEB-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE FC(F)(F)/C=C\[S+](c1ccccc1)c1ccccc1 207700740 NLLMSLFZEDKGCW-QXMHVHEDSA-N 281.322 4.799 30 10 CJEE CCCCN(CC)[C@H](C#N)c1cccc(Cl)c1Cl 213007156 IAYPMPYKGFHXDJ-CYBMUJFWSA-N 285.218 4.680 30 10 CJEE CC/C(=N\O)c1ccccc1O[C@H]1CCC[C@@H](CC)C1 217223661 VXMRCHPBYVWZOS-KRGDBVFUSA-N 275.392 4.623 30 10 CJEE CC(C)(CCc1ccccc1)Nc1ccc(C#N)cc1F 229304723 RLYUSYNTEWDMLH-UHFFFAOYSA-N 282.362 4.521 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCc2cccnc21 229818370 FPRAKLREJRTRTM-IRXDYDNUSA-N 274.452 4.579 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2ccccc2C#N)C1 230765480 CWHOKPBZKQCANG-GOEBONIOSA-N 256.393 4.575 30 10 CJEE CC(C)C[C@@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)C1 230779377 VUVYILPCNFTZOH-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@@H](C(C)C)C2)cc1 231003893 WNJHPZKGIOQZKW-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCNCCSC(F)(F)F 231951373 VIPKKXNKPUCYRW-UHFFFAOYSA-N 271.392 4.580 30 10 CJEE CCCCCCCCNc1ccc(N)c2ccncc12 232041168 YKNQDBZVCDDKBV-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCCCCc1nc2cccc(C)n2c1N 232963607 ONUFDHSHCCQYMS-UHFFFAOYSA-N 273.424 4.518 30 10 CJEE C=CCCCCCSc1ccc(CNCC)cc1 233534862 YEBANDJORNGNRN-UHFFFAOYSA-N 263.450 4.635 30 10 CJEE CC[C@](C#N)(CCCS[C@@H]1CCC[C@@H](C)C1)NC1CC1 234167696 PMIPRMQADFFYOE-DJIMGWMZSA-N 294.508 4.503 30 10 CJEE Cc1ccc(N2CCC[C@H](C(C)(C)C)CC2)c(C#N)c1 235860615 DQCLFNRBMDJVIZ-INIZCTEOSA-N 270.420 4.519 30 10 CJEE Cc1ccc(Oc2ccc(C)cc2C#N)c(Cl)c1 235914973 MQHQVJPRJSNESC-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCCc2sccc21 236397998 GBOHWWDDMUEIML-CQSZACIVSA-N 260.402 4.628 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252426942 WVBLKQRSWQDHFU-HRCADAONSA-N 286.394 4.777 30 10 CJEE N#C[C@@H](c1cccc(Cl)c1F)[C@H]1C[C@H]2CC[C@H]1C2 302326927 HNENYLNRKDFAGC-UKJIMTQDSA-N 263.743 4.522 30 10 CJEE O=C1CCCC=C1c1ccc(C2CCCCC2)cc1 302580354 RJQWXFQDUMQHLY-UHFFFAOYSA-N 254.373 4.871 30 10 CJEE C=CCC[C@@H](NCCC)c1c(C)cccc1Br 310370419 XOEZBASHSKZWDS-CQSZACIVSA-N 296.252 4.764 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@@H](C)C1 381051318 YZDKXIYROHXTOL-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1c(Cl)cccc1Cl 385099339 ZKGOTZWYJIJQJL-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H](C)C1(C)CC1 385518906 TZIYVONINQVBAX-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE Cc1ccc(N=C2N[C@H](C3CCCC3)CS2)c(Cl)c1 386395752 UQWQNVFLLBMXIJ-AWEZNQCLSA-N 294.851 4.531 30 10 CJEE C=CCCCCCCN[C@H](CC)c1ccccc1O 388424916 QEKCRORIUGXDQW-MRXNPFEDSA-N 261.409 4.569 30 10 CJEE CC[C@@H](NC[C@@H](C#N)C1CCCCC1)c1cccs1 397142666 KUJMSKGPYJLIRK-HUUCEWRRSA-N 276.449 4.509 30 10 CJEE CCCCCCCC[C@@H](CCC[C@H]1CCOC1)NCC 400936772 KTDYCEPMKWSTCM-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCC1CCC(C=O)(CCc2c(F)cccc2F)CC1 402952130 QYXBTWKRQATOIT-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE C=C(C)CC[C@@H](NCC(C)C)[C@H](C)c1ccccc1 405583750 HARIQVHDPKPIHX-SJLPKXTDSA-N 259.437 4.761 30 10 CJEE C[C@@](C=O)(Cc1ccc(Cl)c(Cl)c1)c1ccccc1 405637961 YHLFILKCQSPOFP-INIZCTEOSA-N 293.193 4.693 30 10 CJEE CCCCCCCCCCCC[C@H]1C(=O)CO[C@H]1C 405749617 BUFPRGAILJZOFR-JKSUJKDBSA-N 268.441 4.901 30 10 CJEE Fc1c(C(F)F)ccc(C(F)(F)F)c1C(F)(F)F 575380427 IOZBBVVWZSRXIK-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C#CCCCCC[C@H](Cc1ccc(Cl)cc1)NCCC 686696682 BFVYXTSPWFUNAL-GOSISDBHSA-N 291.866 4.834 30 10 CJEE CO[C@H](CC1(C#N)CC(C)(C)CC(C)(C)C1)C1CC1 688309275 SWEQRDFSZFNWPQ-CQSZACIVSA-N 263.425 4.548 30 10 CJEE N#Cc1ccc(Nc2ccc(SC(F)F)cc2)cc1F 690180955 LNFHRFLVBHJPAI-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCCCCCCCC[C@@H](N)CC[C@@H]1CC1(F)F 691643887 PYSUGVMJTGWCGL-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1Cc2ccc(Cl)cc2C1 692236275 XSYNHFOYZMJQOQ-JEBQAFNWSA-N 289.850 4.532 30 10 CJEE CCCCCCCCCCN[C@H](C)C1(Cl)CC1 695637551 KHSHNEJBYFPHKP-CQSZACIVSA-N 259.865 4.877 30 10 CJEE CCCCCCCCCC[C@@H](O)CNCC(C)(C)C 697417636 RXYFMROICGHKGO-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE 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C=C(C)CCCC[C@@H](NCC)C1CC(OC(C)(C)C)C1 2287409448 UVJPGEWRJMJGJN-OFLPRAFFSA-N 281.484 4.695 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(c2ccccc2)CC1 2287412483 DHGHQFVOZVLODW-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C(C)(C)CC(F)F 2289855645 UKZTUERYEKNZRN-OAHLLOKOSA-N 285.422 4.620 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1ccc2sccc2c1 2289873217 BJUUNIRRTXIKRX-KRWDZBQOSA-N 283.440 4.746 30 10 CJEE CCCCCCC[C@@](C)(CCC=C(C)C)OCC(=O)O 2290902933 LJYXKJVTOHQPBE-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCC[C@](C)(CCCCCC1CC1)OCCC(=O)O 2292141590 LESNNHYOZURWKT-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](CCCC1CC1)OCCC(=O)O 2292726497 JLANURIRMJVOTH-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(C)cc(Cl)c1 2292896735 VFSPDMVTTXBURC-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)C=CC[C@H](CC)C1 2292905832 JYOPONXHOFAEQF-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)C1CC=CC1 2293853881 CKGAXAWBIHNMCT-SFHVURJKSA-N 279.468 4.603 30 10 CJEE CCCCCCCCOC(=O)C(=Cc1ccccc1)OC 2294288764 QXVUGSHEKWUGTL-UHFFFAOYSA-N 290.403 4.578 30 10 CJEE CCCCCCCC[C@H](C[C@H]1[C@H]2CCC[C@H]21)OCCN 2294643906 WVURZFXZWYDWMB-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE O=C[C@]1(C2C3CC4CC(C3)CC2C4)CCCC12CCC2 2294902116 HHDGDLQAYQLCRV-PWKXAEOISA-N 272.432 4.598 30 10 CJEE Cc1ccc(C(=O)C=CNc2cc(C)ccc2Cl)cc1 2297352221 XYYBKROAXQGIDU-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE Cc1cc(C)cc(N=C2C=C(O)C[C@@H](c3ccco3)C2)c1 2297746890 MISUIZFFGAOLDM-AWEZNQCLSA-N 281.355 4.988 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)c(C)cc1[N+](=O)[O-] 2298888178 GJAITNTUNYJPTO-VIFPVBQESA-N 271.769 4.613 30 10 CJEE C=C(CC)C[C@H](NC)c1cc(F)c(Cl)cc1Cl 2306238044 OCWIOMMSZLRTJK-ZDUSSCGKSA-N 276.182 4.749 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]1C(F)(F)F 2308742279 GSJYPTCVQPFKKI-FRRDWIJNSA-N 266.347 4.686 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@@H]2C[C@H]12 2312623432 WFRVIWVJXLCFHO-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1scc(C)c1Cl 2315713870 OKJSMIANARCAIU-ZDUSSCGKSA-N 281.852 4.554 30 10 CJEE C=CCC(CC=C)Nc1ccc(SC(F)F)cc1 2316735288 AAFJXRPIOAQGKK-UHFFFAOYSA-N 269.360 4.934 30 10 CJEE CCCCC#CC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2316982818 ITSBNCRTYFPORW-CQSZACIVSA-N 285.214 4.919 30 10 CJEE C#Cc1ccccc1NCc1ccc(Cl)c(Cl)c1 2317640794 XTSUTTSTJKGVOW-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=C(C)CC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2318599054 IZJTUYDFCILMST-OAHLLOKOSA-N 286.246 4.870 30 10 CJEE CCc1ccc(C(=NOCc2ccccc2C)C2CC2)cc1 2318633594 IUPHJCUZRGBKDA-UHFFFAOYSA-N 293.410 4.888 30 10 CJEE C=C(C)C[C@H](CC1CCC(CC)CC1)NCCC 2319292191 BVCNBNZDJTWIAT-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H]2CC[C@H]2C(C)(C)C)CC1 2320141792 OLIOAGJTDJZSSL-BZUAXINKSA-N 250.426 4.556 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NCC 2320253528 MOYRIBFMPGTHQV-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(C)(F)F)NCCC 2321103020 WERVFFWXUKCPNK-KBPBESRZSA-N 261.400 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCC[C@H]1C)NCCC 2321104237 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C=CCC(CC=C)[C@@H](NC)c1scc2c1CCCC2 2338744152 LOXDLUKGMVSULD-MRXNPFEDSA-N 275.461 4.656 30 10 CJEE C=C[C@](C)(CNCCC)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338992088 MLLREOGORRCJAS-FJIDUMEYSA-N 263.469 4.785 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@@]1(C#N)CCOC12CCCCC2 2340244206 FZESLWNNXULACF-XHSDSOJGSA-N 263.425 4.548 30 10 CJEE CCCCCC#CCNCCc1cc(Cl)cc(Cl)c1 2341220164 RHEMRVDACOXOBM-UHFFFAOYSA-N 298.257 4.709 30 10 CJEE C=C(Cl)C[C@@H](NC)[C@@H](c1ccccc1)C1CCCC1 2342371193 SUNHYUOZKXRZRX-SJORKVTESA-N 277.839 4.691 30 10 CJEE C=CCCCCCCN(C)CC[C@H]1CC[C@H]1C1CC1 2342590060 LOKFRWBWFLMGKX-MSOLQXFVSA-N 263.469 4.881 30 10 CJEE C=C1CCC(CN(C)C[C@H]2CC[C@@H]2C(C)(C)C)CC1 2343322696 WSHALCYNHFNJCE-SJORKVTESA-N 263.469 4.737 30 10 CJEE C=C1CC([C@H](C[C@@H]2CCC(C)=C(C)C2)NCCC)C1 2343445877 PWIKFYBBULMPOW-AEFFLSMTSA-N 261.453 4.847 30 10 CJEE C=C(CC)C[C@](N)(CC)c1ccc(C(F)(F)F)cc1 2343737017 PPPPCSRCRHGFHQ-CQSZACIVSA-N 271.326 4.626 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc2ccccc2c1 2344339387 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C=CCCCCCCCN[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2359227272 QNFDMJOMJRQLKL-ZRSRNVLSSA-N 275.480 4.927 30 10 CJEE CCCCSc1nc(-c2ccc(C)cc2)ccc1C#N 33011128 OMXFQGBBABJRPE-UHFFFAOYSA-N 282.412 4.821 30 10 CJEE CN(C1CCCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35250469 YJKYNWVMICCZRM-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE CCCN(CCC)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37145882 VHPRXFWUXKFIJS-QRVBRYPASA-N 284.447 4.584 30 10 CJEE CC(C)c1ccc2c(c1)[C@H](C#N)CC1(CCCCC1)O2 41390439 JWHSVFUADNUYPL-HNNXBMFYSA-N 269.388 4.903 30 10 CJEE CCc1ccc([C@@H](C#N)Nc2ccccc2Cl)s1 51719781 PKEHCWULXAHFJS-CYBMUJFWSA-N 276.792 4.641 30 10 CJEE N#C[C@H](Cc1c(Cl)cccc1Cl)c1cccc(F)c1 57724626 OMZYKYFXCWTEKO-NSHDSACASA-N 294.156 4.982 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1cccc(OCCCC#N)c1 71161190 WDPFHMOFXJTALN-CRAIPNDOSA-N 286.419 4.750 30 10 CJEE CCCn1c(Cl)c(C#N)c2ccc(Cl)c(Cl)c21 71466196 MJUPDAODOCPLCL-UHFFFAOYSA-N 287.577 4.883 30 10 CJEE Cc1ccc(SC[C@@H](C#N)c2ccccc2)c(C)c1 80800627 JQOLNEDUSKLSGO-MRXNPFEDSA-N 267.397 4.703 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](C)CS 94584389 SDDBCBIVWYXNPF-JTQLQIEISA-N 272.841 4.717 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1cc(F)ccc1F 104181792 LLQLBUPFULEFIP-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)c(C)cc1OCCC 107622440 RLWHHOJNPQUCPS-ZDUSSCGKSA-N 264.796 4.954 30 10 CJEE CCC#C[C@@H](C)Cc1cc(C)c(OCCC)cc1C 107653822 IRLVQXGPGWPUCX-CQSZACIVSA-N 258.405 4.684 30 10 CJEE CCCCCCCCNCC(C)(C)c1ccccc1 109919020 NUARPADPWTYIMY-UHFFFAOYSA-N 261.453 4.914 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 110255581 LRUVDEPNWIKMBV-SMDDNHRTSA-N 296.336 4.958 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C#N 110261735 IYANILOMMRAEMH-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE CCCCCCC[C@@]1(N)CCC[C@@H](C(F)(F)F)C1 115086087 QBCBPUFPNRCDRL-CHWSQXEVSA-N 265.363 4.797 30 10 CJEE CCCCCCCCN1CC2(CCCCC2)NCC[C@H]1C 115266629 KZZRKHFJMBSKTR-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@](C#N)(C(C)=O)c1ccccc1 117658042 ALZZSPGRDAIOHR-SFHVURJKSA-N 271.404 4.788 30 10 CJEE CCCCCCCCC[C@H](O)[C@@](C)(CC)N1CCCC1 118159190 IUYADOLCRCPMPW-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@@H](N)CCCC2 124402694 QOTYWRRTWYUUPQ-KRWDZBQOSA-N 262.441 4.575 30 10 CJEE CCCCCCCCCCNc1cc(Cl)nc(C)n1 124887473 WNPHGHFCVKNOIF-UHFFFAOYSA-N 283.847 4.991 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cc(C#N)ccc1Cl 125669228 RFHVYQPWUKCPIX-GXTWGEPZSA-N 262.784 4.592 30 10 CJEE C=C(C)CC[C@H](NC)c1cc2ccc(F)cc2s1 125789362 RJBNOLICURZTJE-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE Cc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1C#N 126906159 LNSSAEGPUBUXFL-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE Cc1cc(C)cc([C@H](C)Nc2ccc(CC#N)cc2)c1 132514339 UOWPPQJBLIWXQP-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE Cc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1C#N 133323990 LTWKDZWQQYPHPY-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CSc1cccc(Oc2ccc(F)c(C)c2)c1C#N 136722964 IZAZGAQMHSRFHP-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](CC)OCC 158211995 GDBKFQKVHISBED-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CC(C)(C)OC1(C)C 160106518 IFIBODKNPYNPJA-CABCVRRESA-N 270.457 4.692 30 10 CJEE CCCCCCCCCCCC[C@H]1CC[C@H](C(=O)O)N1 160237158 VYBQTIAWSAGHJE-JKSUJKDBSA-N 283.456 4.503 30 10 CJEE C=C(C)COCCNC1CCCCCCCCCCC1 163524279 NZYGXOCXKAQSOC-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE CCCCCCC[C@](O)(CC)c1cccc(F)c1 166819840 CMNWHIRRIKOWSH-MRXNPFEDSA-N 252.373 4.784 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(F)c(F)c1F 167678473 IDYMBZSHDVVELJ-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE N#CC1(c2ccc(OCc3ccccc3)cc2)CCCCC1 203168076 VUGGFIAGKBDEDN-UHFFFAOYSA-N 291.394 4.991 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCC(C)(C)C[C@@H]2C)C1 222165482 NUKQBBGSNGXCPC-BURFUSLBSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCC(=O)[C@](C)(N)CC 226664279 DPJILMXQCIPOBS-QGZVFWFLSA-N 269.473 4.994 30 10 CJEE CCCCCCCC[C@H](N)c1cncc(OC(C)C)c1 229142783 GGETXIHGTUPHLH-KRWDZBQOSA-N 278.440 4.619 30 10 CJEE CCCCCCCOCc1ccc(CNC(C)C)s1 231974389 XJLIWYAYGDBXKT-UHFFFAOYSA-N 283.481 4.733 30 10 CJEE CSc1ccccc1Nc1ccc(C#N)c(Cl)c1 232274684 JGTFIXJRIZHDNE-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCCC[C@H](NN)c1c(C)cccc1C 232964650 PQOTWLLKLLDSAX-INIZCTEOSA-N 262.441 4.558 30 10 CJEE C=CCCCCC[C@H]1CCCC[C@@H]1CNCCC 233093694 ZSQHTIDLLOUSON-DLBZAZTESA-N 251.458 4.929 30 10 CJEE Cc1cc(C[C@H](C)C#N)cc(Cl)c1OCc1ccccc1 260545051 LHLFCGIHVXMFQN-ZDUSSCGKSA-N 299.801 4.930 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(Cl)cc2)c1 308101977 IJQZUNXHWBMOAP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCC[C@@H](CCC1(OC)CCC1)NCC 311851419 JDBMSETXPBSMPA-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=C(CNCc1cc(Cl)sc1Cl)c1ccccc1 312740191 CRINHHFGWFZVLA-UHFFFAOYSA-N 298.238 4.858 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCCCCF)CC1 316936464 ZAFULBQXSKDOOP-UHFFFAOYSA-N 256.405 4.938 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1cccc(Cl)c1Cl 317012719 SGFPOJIRCVNSAB-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE SCC1(CN2CCCCCCCC2)CCCCCC1 321937082 CKAWEYLKUJFLQS-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE CC[C@H](C)[C@H](COCCCCCCCCCS)OC 384674474 DPJAONAMGPPQBB-HOTGVXAUSA-N 290.513 4.725 30 10 CJEE CCCCCCCCCNCC(CC)(CC)OC 386490682 XNNIJVPUIUFYFD-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE C=CCCC[C@H](C)Nc1ccccc1C(F)(F)F 398130155 KKTDDTMTEWXECX-NSHDSACASA-N 257.299 4.862 30 10 CJEE CCCCCCC[C@H](N)C[C@H](C)CC(F)(F)F 402817995 DVSUTYDNSSARCX-RYUDHWBXSA-N 253.352 4.653 30 10 CJEE C=CCCCc1c(Cl)cccc1Br 404470512 QJUAPYQDCGXJER-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2s1 466648636 VOUXVJJPIRJCOC-OLZOCXBDSA-N 287.428 4.681 30 10 CJEE O=C(/C=C\c1ccccc1)c1cccc(F)c1C(F)(F)F 642882821 WOLLHIHIDNMCKD-KTKRTIGZSA-N 294.247 4.741 30 10 CJEE CC[C@@H](CC(F)F)CC1(C=O)CCCCCCC1 688769015 YIZMAGGGMIEAQU-ZDUSSCGKSA-N 260.368 4.988 30 10 CJEE C=CCC1(Nc2nc(Cl)nc3sccc23)CCCC1 690722349 JQBBBDCIXYCUDD-UHFFFAOYSA-N 293.823 4.646 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CCC(C(F)(F)F)CC1 692234912 MSGAMWWJWMVQJJ-XSCHDIRWSA-N 289.385 4.832 30 10 CJEE CCCCCCCC[C@@H](NCC)C(F)(F)C(F)(F)F 692598460 QZZVRAYEHAWOTI-LLVKDONJSA-N 289.332 4.913 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)Cc1cc2cscc2s1 693879684 IZKBHBPRQAFZMR-NSHDSACASA-N 292.473 4.723 30 10 CJEE C=C(COCC)[C@H](NCCC)c1cc2cscc2s1 694399433 PGPTWZJTZKVPEA-HNNXBMFYSA-N 295.473 4.596 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2cscc2s1 694425947 MNJFCNYIBQZEND-LBPRGKRZSA-N 265.447 4.970 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(SC)cc1 701865664 UWGXIEKMKZLWBM-ZDUSSCGKSA-N 263.450 4.661 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C=O)CCc2ccccc21 703826068 ZAMUUFIMDVQEHQ-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CCC[C@@H](CC)C1 704005588 KSSAECMFQDTNHF-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCSCCCCCCN 705133839 QNXWEQYWVWQTKX-UHFFFAOYSA-N 259.503 4.989 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(C)c(C(F)(F)F)c1 710667797 JPXUNKHSROZLPI-CYBMUJFWSA-N 291.744 4.807 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2cccc(Cl)c2C)C1 710739316 MPDNKRSDLFRTRO-KBRIMQKVSA-N 293.838 4.556 30 10 CJEE C=C(Cl)C[C@H](C[C@H](CC)C(C)(C)C)NCCC 711125889 ZFDVKKRDAPZZED-UONOGXRCSA-N 259.865 4.960 30 10 CJEE N#C[C@H](C(=O)c1cscc1Cl)c1cccc(Cl)c1 711537190 PNPBLFMTCDOQHB-JTQLQIEISA-N 296.178 4.545 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712603006 YTAZNSSEAMOGDG-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 715704429 JQBBFHRBCVHDDK-TUXXQRSKSA-N 275.480 4.783 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 715798191 WABAZFPQVWVKKM-MHORFTMASA-N 265.485 4.887 30 10 CJEE CC(C)(C)CSc1ccc(C(F)(F)F)c(C#N)c1 718770661 DIIVLTATLZXTHH-UHFFFAOYSA-N 273.323 4.715 30 10 CJEE CCCCCCCCCCNC1(C)CC(F)(F)C1 720964592 KZENBTQHZHLODV-UHFFFAOYSA-N 261.400 4.905 30 10 CJEE C=CCCC(C)(C)NCCc1cc(Cl)cc(Cl)c1 722099900 JYJMNAUYOVGLRV-UHFFFAOYSA-N 286.246 4.870 30 10 CJEE CC(C)C1CCC(C=O)(CC2C[C@@H](C)O[C@H](C)C2)CC1 724382548 FORMWGLYKPGUNW-RCDYEMGKSA-N 280.452 4.612 30 10 CJEE C=C1CCC(CNCC[C@@H](C)c2ccccc2)CC1 724550829 WJBWXGYOMAXEEN-MRXNPFEDSA-N 257.421 4.516 30 10 CJEE C=C1CCC(C[C@]2(CNCC)C[C@H]3CC[C@H]2C3)CC1 724553809 OEUXQYVYIUFODU-OKZBNKHCSA-N 261.453 4.539 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cccnc2C)CC1 724558387 JSHRASBVXLOQPQ-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C=C1CCC(CNCc2ccc(Cl)c(Cl)c2)CC1 724565329 CPWUGOATRLPKFJ-UHFFFAOYSA-N 284.230 4.829 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CCS1 725109313 UCSPYSCWENIXMM-HOCLYGCPSA-N 296.524 4.987 30 10 CJEE Cc1ccc(N=Cc2c(C)cc(C)cc2C)c(C)c1 1083904055 WHMPYHUCBKSQQV-UHFFFAOYSA-N 251.373 4.979 30 10 CJEE C=C1CCC(C(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 1124675773 MSXORNVRTKYGNE-MRXNPFEDSA-N 291.822 4.654 30 10 CJEE C#Cc1cccc(N(C)C(=O)CC(C)(C)C2CCCCC2)c1 1125908555 PUERSBZBAWAAAQ-UHFFFAOYSA-N 297.442 4.627 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](C)CC1CCCCC1 1126324862 DZYDXEHEAIEIEG-MRXNPFEDSA-N 279.468 4.798 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CC[C@H](CC)CC2)CCCC1 1130909878 KFBKKDPQLUNDED-QAQDUYKDSA-N 291.479 4.846 30 10 CJEE C=C(C)CNCc1c2ccccc2cc2ccccc12 1178705172 RQNNIPHFRCRPLE-UHFFFAOYSA-N 261.368 4.659 30 10 CJEE C=C(C)CN(CCCCOC(C)(C)C)Cc1ccccc1 1194052508 WJNAJEVGFJBSAY-UHFFFAOYSA-N 289.463 4.660 30 10 CJEE C=CC(C)(C)CNCc1ccc(Oc2cccc(F)c2)cc1 1202435416 KEMJARVIVMDQNE-UHFFFAOYSA-N 299.389 4.920 30 10 CJEE C=CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)C(C)C 1204441552 OLFDRJMCRTWQNS-UHFFFAOYSA-N 291.744 4.755 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 1207075753 IGBPFIFZOCFKEG-OALUTQOASA-N 285.475 4.980 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 1217619741 FAQSLJMWBZLXAE-LLVKDONJSA-N 298.789 4.654 30 10 CJEE C=CC1CCN(Cc2ccc(-c3ccsc3)cc2)CC1 1307472291 HVOJMXLSOIBJSD-UHFFFAOYSA-N 283.440 4.813 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C)c(Cl)c2)CCCC1 1310101848 GFRSKNIKEOBVIM-UHFFFAOYSA-N 292.810 4.659 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CC2CCC(C)(C)CC2)c1 1359803802 PXLOIXBLXMKKFO-UHFFFAOYSA-N 297.442 4.627 30 10 CJEE C=CCC1(NC(=O)CC2(C=C)CCCCC2)CCCCC1 1436260418 DUFOTZIRBPNBMP-UHFFFAOYSA-N 289.463 4.908 30 10 CJEE C=C[C@@H](OC(=O)c1csc2ccccc12)c1ccccc1 1437635723 BVMNAGSSJSFCPZ-MRXNPFEDSA-N 294.375 4.985 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CC(C)(C)C1CCCCC1 1458278152 YODVCQXAEDVQPR-OAHLLOKOSA-N 279.468 4.844 30 10 CJEE C=C[C@@H](OC(=O)c1cc(Cl)ccc1C)c1ccccc1 1461548749 KAENSSQZKPKFNJ-MRXNPFEDSA-N 286.758 4.733 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccccc1 1461551350 SYMPBMLOOHOELD-GOEBONIOSA-N 274.404 4.919 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(C#N)ccc1OCC 1462071082 OBWUQIQHCUPMHG-HNNXBMFYSA-N 272.392 4.504 30 10 CJEE C=CCC[C@H](C)N[C@H]1CCc2ccc(C(C)C)cc21 1462127471 LGUDAPKEJUVJIT-KSSFIOAISA-N 257.421 4.742 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCC[C@H](C)C1 1462335572 USQHBBAJOXBVON-QXAKKESOSA-N 271.448 4.590 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H](C)c1ccc(C)cc1 1462336891 XRQCUYDEWSEOPC-WIYYLYMNSA-N 293.454 4.876 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(Cl)c(C)c2)c1 1463259995 YROCZCLOGLORBG-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccccc2C(C)C)C1 1473627732 NTFZACKIGVBZQU-MRXNPFEDSA-N 257.421 4.598 30 10 CJEE C=CCCCC(=O)NC(C)(C)CC1CCCCCC1 1523272856 QHHFJQGBQZTPBT-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(Cl)cc1 1528327460 HRWLRGCBIDUVCT-XHDPSFHLSA-N 266.768 4.547 30 10 CJEE C=CCCC[C@@H](NC(=O)CC1CCCC1)c1ccccc1 1533766639 PQEFYWLMUBBDFR-GOSISDBHSA-N 285.431 4.781 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cncc3ccccc23)c1 1539122325 YEVFOGLOPSDXCO-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CCCCCCN1CCS[C@H](C)[C@H]1c1ccccc1 1559542706 DFQGTLWWKOQXJF-AEFFLSMTSA-N 289.488 4.911 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C 1560755016 XUACHAHVIDRYAM-CQSZACIVSA-N 290.407 4.518 30 10 CJEE C=CCN(C/C=C/c1ccc(F)c(F)c1)c1ccccc1 1560765865 WZGGVNSWHAZEOM-VOTSOKGWSA-N 285.337 4.671 30 10 CJEE C=CC[C@@H]1N(Cc2cc3ccccc3n2C)CCCC1(C)C 1560793060 DOFDHEDSIZSLRJ-IBGZPJMESA-N 296.458 4.745 30 10 CJEE C=C(CC(C)C)C(=O)NCc1ccc(C(C)(C)CC)cc1 1597090272 URXUEBUWVZNHDN-UHFFFAOYSA-N 287.447 4.593 30 10 CJEE C=C1CCC(CNC(=O)[C@H](CCCCC)C(C)C)CC1 1597398093 UCDUXFFRCFIYCX-QGZVFWFLSA-N 279.468 4.702 30 10 CJEE CCCCOc1ccc(C#Cc2cc(C)cc(C)c2)cc1 1614825689 KZEFRPSYQKOJQL-UHFFFAOYSA-N 278.395 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KXURCWNALRFBAJ-ZFWWWQNUSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCCNC[C@](C)(CC)C(F)F 2315048586 MQFIAUAPEUWMBN-HNNXBMFYSA-N 261.400 4.784 30 10 CJEE C=CCCCCCCCC(=O)CCCCCOC 2318798152 VEPTZQGTWXOFOD-UHFFFAOYSA-N 254.414 4.679 30 10 CJEE C#CCCCCCOCCC1CCCCCCC1 2319463162 OUKBWKYMLUTITQ-UHFFFAOYSA-N 250.426 4.947 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC(C)(C)CC(F)(F)F 2321102036 NRWBDPFDGPURHT-WCQYABFASA-N 265.363 4.675 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1CC2(CCCC2)C1 2321224840 UBYZKMOCRIUFCH-HOTGVXAUSA-N 250.426 4.700 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NC 2333327897 JKSMAGHGZMDJNG-XWTMOSNGSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 2335096696 PREDTTNTNFIRGL-XDQVBPFNSA-N 284.465 4.600 30 10 CJEE C=C[C@](C)(CNC1CC1)Cc1ccc(Cl)c(Cl)c1C 2338706663 ZVPFUECNBDOMHJ-INIZCTEOSA-N 298.257 4.789 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@](C)(F)C(C)(C)F 2338740568 GPKOQFBWNGHOOZ-HOCLYGCPSA-N 273.411 4.599 30 10 CJEE C#CCCCCCCNC1CC2(CCC(C)CC2)C1 2338796791 USHWKZSLDPOZCT-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCCC12CCCC2 2339904451 HFAYIYRRPYTBRO-KRWDZBQOSA-N 253.389 4.583 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ncccc1C(C)C 2340240640 ZXWHMOLQFJJJGH-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc(C(C)(C)C)c1 2341896725 NBOURSOTPWDDFB-SJORKVTESA-N 257.421 4.601 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc(C2CCC2)c1 2343785368 KGIVQSQVZWWHCN-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]1C1CCC1)NCC 2344341442 BSYONNBZYCSTGJ-OWSLCNJRSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1CC2(C1)CC(C)(C)C2 2344349536 UELCKBOPPGFJIP-RDJZCZTQSA-N 263.469 4.913 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C(F)(F)F)CCC1)NCCC 2344355448 GZDWZTFWMQJLOY-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)c(Cl)cc1OC 2344369439 PTLZXTWYMIWHEK-BDJLRTHQSA-N 281.827 4.520 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(CC)cc1 2344376433 GIYNOIMRSNNWQU-ZWKOTPCHSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cc(Cl)ccc1F)NCCC 2344378805 MNIZBQRDRLQWEE-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE CCC[C@H]1CCCCN(CC2(CS)CC(C)(C)C2)C1 2345005050 SXJCPWJDVVEDSP-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE CC(C)C[C@@H](CS)CN1CC[C@H]1C1CCCCCC1 2353839637 MCSSSCKHEBQWAE-WBVHZDCISA-N 283.525 4.623 30 10 CJEE C#CCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2357717468 IWOZOIZHZSGZMO-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@]12C[C@H](CO1)C2(C)C 2359838973 VTGGKBLKQKAGKD-NUJGCVRESA-N 282.468 4.693 30 10 CJEE C=CC[C@H](C)SC[C@@H](NC)c1ccc2ccccc2c1 2360206844 CDNSITLFAGNKQP-KBXCAEBGSA-N 285.456 4.798 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CCCC(C)C)OCCC(=O)O 2360236348 NSKVRZNJJRVNPB-NVXWUHKLSA-N 284.440 4.665 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CNCC(C)C 2360375222 AGSMBYXUKPRXLX-LBPRGKRZSA-N 299.430 4.767 30 10 CJEE CC1(C)CC[C@@H](Nc2cccc(C#N)c2)c2ccccc21 20525605 USFOMORADGFFOC-GOSISDBHSA-N 276.383 4.783 30 10 CJEE CCC(C)(C)C1CCC(Nc2ccccc2C#N)CC1 20567480 NMKRYTCCUGOPNV-UHFFFAOYSA-N 270.420 4.965 30 10 CJEE N#Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 21818402 OUTLMEHCOKMYKQ-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE N#C[C@@H](C(=O)CCC1CCCCC1)c1cccc(Cl)c1 37344490 LDTSZHPQYYRHRJ-MRXNPFEDSA-N 289.806 4.877 30 10 CJEE CC(C)(C)c1ccc(C[C@@H](C#N)c2ccccc2)cc1 41357484 IFNBYTFHYJHPOX-KRWDZBQOSA-N 263.384 4.834 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1F 57736914 IIJDVUSVHMVYQO-LLVKDONJSA-N 294.156 4.982 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(OC)ccc1OC 59089808 XAZPFTBZPCBVKK-AWEZNQCLSA-N 279.424 4.865 30 10 CJEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCCCC 66117815 YMJCGNPKPCMMBF-AWEZNQCLSA-N 274.404 4.920 30 10 CJEE N#Cc1cc2ccccc2nc1Sc1ccc(F)cc1F 71390688 VXOPXUGKQJHXPV-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE N#Cc1cc(F)ccc1Nc1cccc(Cl)c1Cl 71631499 YGFFEEVMILDYQT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCN[C@@H](C)c1cccc(SCCC(C)(C)C#N)c1 87594988 HVUDHWZLKQZKJT-AWEZNQCLSA-N 290.476 4.779 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCOc2ccc(OC)cc2)C1 88415895 SBFZQIWGDHZXRN-YJBOKZPZSA-N 287.403 4.574 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2c(Cl)c(C)nn2CC)C1 89306196 CJKOTZUFHSBHEI-BBRMVZONSA-N 293.842 4.518 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 104410414 OFOUOIMRGUMDAK-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=CC[C@H](Sc1ccccc1)[C@]1(C)CCCCC1=O 104837422 TYLRCBBPGXAOQA-DLBZAZTESA-N 274.429 4.873 30 10 CJEE CCC#C[C@H](C)Cc1cc(C)c(OCCC)cc1C 107653817 IRLVQXGPGWPUCX-AWEZNQCLSA-N 258.405 4.684 30 10 CJEE CCCCCCCCCC[C@@H](O)Cc1nc(C)cs1 109714280 MNYKSRBVMXDOEA-OAHLLOKOSA-N 283.481 4.886 30 10 CJEE CCCCCCC[C@H](N)c1ccc(F)c(Cl)c1 110518592 ZMVTXZUWYLXUOA-AWEZNQCLSA-N 257.780 4.839 30 10 CJEE CCCCCCCCC[C@@H](N)CS[C@H](C)CC 115815230 ALCALWDUBBMIGN-HUUCEWRRSA-N 259.503 4.986 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CN)c1cccc(C)c1 115863149 KAOSPBXADSSMTQ-OALUTQOASA-N 291.479 4.539 30 10 CJEE CSc1cccc(N[C@@H]2CCCCC[C@@H]2C)c1C#N 127077217 CLSFFCKLOZGSGI-GXTWGEPZSA-N 274.433 4.661 30 10 CJEE CC(C)c1cccc(Nc2c(F)cc(C#N)cc2F)c1 127428277 BIALTPLLVKUYGA-UHFFFAOYSA-N 272.298 4.703 30 10 CJEE CCCCCCCCCCNc1nc2c(C)cccn2n1 129428292 LTTGYOIZTSJZKI-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE C[C@H]1CCC[C@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130477769 JVIZXQJPNVMXFD-RDJZCZTQSA-N 275.436 4.572 30 10 CJEE C#Cc1cccc(N[C@@H]2c3ccccc3CCC2(C)C)c1 132579587 UYMFCPLTXCXWIO-LJQANCHMSA-N 275.395 4.794 30 10 CJEE CCCCCCCOc1cc(OC)ccc1[C@H](C)NCC 138502091 OBSWILJZELYGIT-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE CCCCCCCCN1[C@H]2CCC[C@H]1CC(NCCC)C2 147358843 OTDLNJSSRWUQBG-OALUTQOASA-N 294.527 4.732 30 10 CJEE CCCCCCC[C@H](N)c1ccc(SC)cc1 158163317 QWJXTQUMBJGCEV-HNNXBMFYSA-N 251.439 4.769 30 10 CJEE CCCCCCC[C@@H](N)C1(OC)CCC(C)(C)CC1 158481503 FYSPLYAILBBNMF-OAHLLOKOSA-N 269.473 4.660 30 10 CJEE CC#CCC[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 158510876 HSUOIULKBBFQJP-MWXXRFSMSA-N 274.448 4.538 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@](C)(CC)OC 161658386 WWFTYDOSZJORDE-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OCCC)cc1 164411003 ZVTOVPYNEVUGJF-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CSc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1C#N 167608724 YFQODBJLAXIQOC-UKRRQHHQSA-N 288.460 4.907 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(C(F)(F)F)c2)cc1 169159131 GLEOWAQWVIXQTK-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCC[C@@H](Nc1cccc(C#N)c1)c1cccs1 227611693 YDRHFQCDEQLRQW-CQSZACIVSA-N 256.374 4.573 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OCCC)c(Cl)c1 228824648 HTPIUYGSVVPUFY-LBPRGKRZSA-N 267.800 4.895 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]1(OC)CCC[C@@H](C)C1 229910964 PGUUCACFXWRLQE-SQNIBIBYSA-N 298.515 4.554 30 10 CJEE CC[C@@H](Nc1cccc(C)c1C#N)c1ccc(C)cc1 233894470 IJPAGMRJAOHMDQ-QGZVFWFLSA-N 264.372 4.738 30 10 CJEE Cc1ccccc1Nc1ccc(C#N)c2ccccc12 235792097 LJNHQZDUBTWAPD-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C)c(Cl)c1 235815588 CNCQSPSAEGIOMA-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(C(F)(F)F)cn1 236130870 BHLFLMHRPGDGIE-UHFFFAOYSA-N 283.293 4.564 30 10 CJEE C=CCCCCCC(=O)c1cccc(Br)c1F 236221524 WSULBECAWVLRQW-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE Cc1ccccc1C(=NC(=O)c1ccccc1)c1ccccc1 252595030 BXMVTQVPYORJHG-UHFFFAOYSA-N 299.373 4.673 30 10 CJEE CCCCCCC[C@H](CC#CC(C)(C)C)NCC 302242579 FZORJIMOFDJSIX-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE CCC[C@H](CC(C)C)[C@H](CC#CC(C)(C)C)NCC 308062599 VUWYQSWOGHBGMC-SJORKVTESA-N 265.485 4.867 30 10 CJEE CCCCCCCCCCCC[C@H](O)CC(C)(C)N 311519078 SWINEQRXNUTBKH-INIZCTEOSA-N 271.489 4.786 30 10 CJEE C=CCCCCCCNCc1ccc(C(F)F)cc1 312086897 XCELUSYZVBEJFC-UHFFFAOYSA-N 267.363 4.850 30 10 CJEE C=CCCCCCCNC1C2CC3CC(C2)CC1C3 312119618 UDSOPHZWWNQQNG-UHFFFAOYSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2cc(Cl)ccc2[N+](=O)[O-])C1 312230112 DJYFKTVBDACYDE-ABAIWWIYSA-N 292.766 4.610 30 10 CJEE CCCCCCCC[C@H](NC)C1(COC)CCCC1 312937689 GWIYMGVUASTSHF-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCC23CCCCC3)c1 313019337 WXBCNBMWRWXFMC-QGZVFWFLSA-N 253.389 4.583 30 10 CJEE C[C@H]1C[C@@H]([C@]2(C=O)CCCc3ccccc32)CC[C@H]1C 316426364 LAVBQFANCQFTGR-WXSAJPJJSA-N 270.416 4.532 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)C)CCC[C@H](CC)C1 318138063 YDWFCDSLFLMKIR-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1ccc(OC(F)F)cc1 320051176 PYIQTHHZFRDFOR-COPLHBTASA-N 267.319 4.577 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)cc2Cl)cc1N 322810528 VGZFLYLVZQNUPM-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CCOc2ccccc21 384830130 GRQJMPODUSTCJX-RVKKMQEKSA-N 269.388 4.663 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)CCC1CC1 385388892 BMMQTUUZYAYCCC-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C=CC[C@@H](CCSc1ccccc1)CNC(C)(C)C 387401472 LGNKPOPZTHHNPR-HNNXBMFYSA-N 277.477 4.749 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(CSC)c1 393004146 VZPUTGFWSACXLO-QGZVFWFLSA-N 294.508 4.805 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2ccccc2)o1 539272246 IEYGVNIQBIIREZ-GFCCVEGCSA-N 274.389 4.574 30 10 CJEE CSc1cccc([C@@H](C#N)Nc2cccc(Cl)c2)c1 686949032 PVZHAOUROFFNMT-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cnsc1 687166037 CSLOEVMCKLLNQM-OAHLLOKOSA-N 268.470 4.934 30 10 CJEE 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CSc1cccc(N(CC(C)C)C2CCCC2)c1C#N 136683141 KEIGIVVEVPOIKZ-UHFFFAOYSA-N 288.460 4.685 30 10 CJEE C#CCCCCCn1c2ccccc2c2ccccc21 136798532 QUYRPKFKZBKYNQ-UHFFFAOYSA-N 261.368 4.988 30 10 CJEE CSc1cccc(Sc2cccc(F)c2)c1C#N 136998754 VLBVTEZEAWNRDI-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1c(C)nn(C)c1C 140346785 NKPZIXSFLQBIQA-QGZVFWFLSA-N 293.499 4.828 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@](O)(C2(C#N)CCCCCCC2)C1 156785828 HVASRTIYIQFNEC-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@@H]1C 159115511 OMCULHXLHOQKMD-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)CCSCC 159990651 PADZNLWZFIRHIR-HUUCEWRRSA-N 259.503 4.857 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)NC2CCCCC2)s1 166135174 YMWISIMVSMKEIY-CYBMUJFWSA-N 276.449 4.533 30 10 CJEE Cc1ccc(Br)cc1C(=O)C1=CCCCCC1 203548455 GZYPODJLXRWYPM-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCC[C@@H](C(C)C)CC2)C1 218601899 CCJNDBQZKIHQBT-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 219669085 SQQKYWBBYQMSEW-KZNAEPCWSA-N 265.485 4.887 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccn2)C1 222252200 OUOJTDHFMHYNRX-MJBXVCDLSA-N 274.433 4.528 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2c(c1)C(C)(C)CO2 228525377 YPPLEBCIFKOBCC-MRXNPFEDSA-N 275.436 4.717 30 10 CJEE CCCCCCC[C@H](N)c1ccccc1OC(C)C 228841841 URNCWJISSSAKRI-INIZCTEOSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 229130500 IQKYZUQQCWZTTN-JKQORVJESA-N 268.441 4.756 30 10 CJEE CC(C)(CCC#N)CNc1cccc2ccccc12 229667660 WPMNYXNRSGSTCB-UHFFFAOYSA-N 252.361 4.582 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 229740769 DSIMVCRAIUKKJR-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 232744951 MJKSVMYMPAOODW-KBPBESRZSA-N 276.811 4.838 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1F)c1ccccc1Cl 235563288 WYBKMHUIVZYMHA-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)CC1 235645604 CCSNOHYEFNEABA-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE C[C@@H](CCS)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251273429 YBGKUBUVHHTLKC-HGTKMLMNSA-N 270.482 4.564 30 10 CJEE Cc1ccc(N=Cc2ccc(Cl)cc2Cl)c(O)c1 252460289 DCRFCXPEYFYVNA-UHFFFAOYSA-N 280.154 4.758 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccccc1OCc1ccccc1 309965857 KZNGLQOCIXVLKI-LJQANCHMSA-N 295.426 4.882 30 10 CJEE CCCCCCCCC(=O)Cc1csc(C)c1 310203931 SWZXCXWWHPAVKE-UHFFFAOYSA-N 252.423 4.919 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C#N)CCc3ccccc32)C1 311979118 QLPRTAIBNRUFSF-RKVPGOIHSA-N 253.389 4.611 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCCCc2ccccc2)C1 316716789 DZEMNJJCDHGUCV-AEFFLSMTSA-N 258.405 4.795 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCCOCc2ccccc2)C1 381880231 AFEHGHRYQHOIJT-AEFFLSMTSA-N 271.404 4.703 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCC[C@H](C)C1)NN 382533124 WOMCPIKHGDUCOI-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@H](NN)c1ccccc1CCC 384583061 XOZDZOPDTLCGLC-SFHVURJKSA-N 276.468 4.894 30 10 CJEE CCCC1CCC(C#N)([C@H]2CCCC[C@H]2OC)CC1 389010663 WRRXUYDZEBFKIP-VUROTCPHSA-N 263.425 4.692 30 10 CJEE Cc1ccc([C@H](C)/N=C2/N[C@@H](CC(C)(C)C)CS2)cc1 393537420 BFUYLEBDZUCSML-ZFWWWQNUSA-N 290.476 4.553 30 10 CJEE CCCCCCCCCCC(=O)CCOC(C)C 395377831 ORNQYYHBSCERFJ-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE Cc1cccc(NC[C@@H](C#N)C2CCCCC2)c1Cl 397158369 SQMJBQLUKFGBBV-CQSZACIVSA-N 276.811 4.780 30 10 CJEE CC(C)[C@@H](C#N)CSc1ccc(Cl)c(Cl)c1 397505156 IECVHFMHOVGGRB-VIFPVBQESA-N 274.216 4.881 30 10 CJEE Cc1scc(C(=O)[C@H](C#N)c2ccc(Cl)cc2)c1C 399771959 NWKJOOYUZNVIAN-CYBMUJFWSA-N 289.787 4.508 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)CC(C)(C)C 401227829 HYVVPSJLBAEAJD-HNNXBMFYSA-N 269.473 4.850 30 10 CJEE CCCCCCCN(C)Cc1ccccc1Br 404238820 VKDMGKVTQORUGW-UHFFFAOYSA-N 298.268 4.851 30 10 CJEE CC(C)(CC[C@]1(C=O)CCc2ccccc2C1)C1CC1 406152310 WOZUWRYNEPJYTE-LJQANCHMSA-N 270.416 4.577 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)C)CCCC[C@H]1C 686703070 UYINMBSDBUNVKZ-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C#CCCOc1cc(C(C)(C)C)cc(C(C)(C)C)c1 686893419 IJUKJCMTOZRCPU-UHFFFAOYSA-N 258.405 4.684 30 10 CJEE CC[C@@H](C)[C@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316529 UMVJFZQCRFMBEJ-CJNGLKHVSA-N 265.441 4.530 30 10 CJEE CCCCCCCCNc1ncc(Cl)cc1C 695227585 AGNXWEXOOFARHO-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CCc1ccc(OC[C@H](CS)C2CC2)c(C(C)(C)C)c1 702018499 DHOOBFKFIJJAPB-OAHLLOKOSA-N 292.488 4.881 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](OC)C1CCC1 703216870 PFRADWHZVYISHP-IAGOWNOFSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@](C)(N)COCc1ccccc1 704492695 CCSLGCQNWNUMDW-SFHVURJKSA-N 277.452 4.671 30 10 CJEE CCCCCCCCCC[C@@]1(N)CS[C@H](C)C1 704956992 CGGVLODLVCQEEH-CABCVRRESA-N 257.487 4.740 30 10 CJEE CCCCCCCCCC[C@]1(N)CS[C@H](C)C1 704956996 CGGVLODLVCQEEH-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE CCCCCCCN[C@@H]1CSCc2ccccc21 705925848 ALQNSKJINUHDMF-MRXNPFEDSA-N 263.450 4.535 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 710589257 GIDPNVUQAAWQPK-QXSJWSMHSA-N 269.860 4.714 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)[C@H]1CCCCO1 711877596 YNELRPQRLCRZHR-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@]1(C)[C@H](NCC)CCN1[C@H](C)CC 712154863 UNTYXUPIPZBQMV-KZNAEPCWSA-N 282.516 4.588 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CC(C)(C)CC[C@H]2C)CC1 713122854 ZFRKNRBMOQMIOK-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE Cc1cc(C#N)ccc1CSCC(C)(C)C(C)C 718826278 OJELYDAAGLBENZ-UHFFFAOYSA-N 261.434 4.782 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1c(F)cc(C#N)cc1F 718948960 RQQYUMSWSIPJOJ-CQSZACIVSA-N 278.346 4.607 30 10 CJEE CCCCCCCC(=O)C1CCC(SC)CC1 720503126 WGHRFVIAHZOURB-UHFFFAOYSA-N 256.455 4.838 30 10 CJEE N#CCc1c(C(F)(F)F)ccc2sc(C(F)F)cc12 725277520 GTKIHRGBBOJCET-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1cnc2ccccc2c1 758521858 NASKXNNDRSMCNT-AWEZNQCLSA-N 295.382 4.607 30 10 CJEE CCOc1cccc2c1ccn2[C@@H](C)CC(C)(C)C#N 829179712 OJPZEJVARFUDLV-ZDUSSCGKSA-N 270.376 4.541 30 10 CJEE C=CCCCC(=O)Oc1ccc(Oc2ccccc2)cc1 1124377134 QEACULHCEBRDNF-UHFFFAOYSA-N 282.339 4.741 30 10 CJEE C=CC[C@H](C(=O)NC[C@H]1CCCC(C)(C)C1)c1ccccc1 1129904357 RDSSRUXTTAQJKT-WMZOPIPTSA-N 299.458 4.679 30 10 CJEE C=CCCCC(=O)Nc1ccc(OCCC(C)C)cc1F 1130314882 QAKXAXZISFCSAT-UHFFFAOYSA-N 293.382 4.545 30 10 CJEE C=CC[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 1131361018 AFEXARASAKMSRG-DLBZAZTESA-N 299.458 4.728 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](CCC)CC(C)C 1131970396 BYLCICHIPRLWJW-OAHLLOKOSA-N 267.457 4.557 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1nc(C2CCCCC2)cs1 1132442499 XELRDSMWDQYYKG-INIZCTEOSA-N 292.448 4.732 30 10 CJEE C#Cc1ccc(CN(C)c2ccc(CCCC)cc2)cc1 1180759667 UYMJNCBWAQOKIE-UHFFFAOYSA-N 277.411 4.647 30 10 CJEE C=C(C)CCN1CCC(Sc2ccc(Cl)cc2)CC1 1192334794 KAZRAQDHOMGPTN-UHFFFAOYSA-N 295.879 4.863 30 10 CJEE C=CCCC(C)(C)CNCc1cccc2ccoc12 1203339628 QNRSLQSFOUFGPU-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE C=CCC[C@@H](CC)N[C@@H]1CCc2cc(Cl)ccc21 1207110629 KFNGEZLGLWSPGT-GDBMZVCRSA-N 263.812 4.662 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cccc(Cl)c1O 1207763687 SGOYHJMLZGKKMT-CYBMUJFWSA-N 281.827 4.660 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@H](CC)[C@H]1C)c1ccccc1 1269695672 VTAWOGZFWRAOOR-AOIWGVFYSA-N 299.458 4.774 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1299310929 ZWEHYSPVPXQWCD-KFKAGJAMSA-N 299.458 4.677 30 10 CJEE N#Cc1ccc(CSCC2CCCCC2)cc1F 1307295633 WCHOVDUGWADWCC-UHFFFAOYSA-N 263.381 4.511 30 10 CJEE C=CCCCCC[C@@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 1308932926 UMRDLFVSUMUNSV-HZPDHXFCSA-N 287.447 4.625 30 10 CJEE C=CC(C)(C)NCC(Cc1ccccc1)Cc1ccccc1 1308971981 KZXRSYNOONYOIM-UHFFFAOYSA-N 293.454 4.642 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 1360595594 ADFMGWPTJXPENW-SFHVURJKSA-N 285.431 4.795 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(F)c2ccccc12 1360624808 ZJVAVQMLAWOBHD-UHFFFAOYSA-N 299.389 4.797 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1435428587 PDTNTZJZRMTHCO-KRWDZBQOSA-N 273.420 4.555 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@H]1CCCCC 1471246463 GHZVAPLJJOTMDA-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE C=CCC1(NCc2cc(F)ccc2C)CCCCC1 1473719188 FBMQSEZOGCFGRR-UHFFFAOYSA-N 261.384 4.503 30 10 CJEE C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc(C(C)(C)C)cc1 1519971121 SPTNNUPXDGEJGW-RMHQSFGDSA-N 297.442 4.564 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1520019161 TXLWVUDZKPUVSZ-HUUCEWRRSA-N 286.415 4.772 30 10 CJEE C=CCC[C@H](C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1526274570 AUAUABHYBFVOJU-QRQLOZEOSA-N 299.458 4.774 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1cc2cccc(Cl)c2s1 1540091366 QTJBVHVIXQWZML-LLVKDONJSA-N 293.819 4.639 30 10 CJEE C=CC[C@H]1N(CC[C@@H]2CCCC2(F)F)CCCC1(C)C 1559797565 UGACJEMVVUGCJX-LSDHHAIUSA-N 285.422 4.879 30 10 CJEE C=CCC1(NCCCCC(F)(F)F)CCCCC1 1560070030 LNTAVYWRWVLDTA-UHFFFAOYSA-N 263.347 4.588 30 10 CJEE C=CCCC(C)(C)NCc1ccc(SC(F)F)cc1 1560542549 JRNBFJZUPAHBLV-UHFFFAOYSA-N 285.403 4.836 30 10 CJEE C=CCC(CC=C)C(=O)OCc1cccc(C(F)(F)F)c1 1585676740 IXQJNVHAZPFXBB-UHFFFAOYSA-N 298.304 4.517 30 10 CJEE C=CCCCCCCNC(=O)[C@H](c1ccccc1)C(C)C 1587021843 RLCDTJHLMDAXOS-SFHVURJKSA-N 287.447 4.679 30 10 CJEE C=CC1(CC(=O)Nc2ccc(C)c(C(C)=O)c2)CCCCC1 1611270109 IFPZSUZXCKGCKE-UHFFFAOYSA-N 299.414 4.663 30 10 CJEE CCc1ccccc1C#Cc1ccc(Cl)c(Cl)c1 1614730761 GYTJCZJRWGNSBL-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE C=C[C@@H](CC(=O)NCC[C@@H]1CCCC1(C)C)c1ccccc1 1618464548 MDXIMWZDIFHWKW-WMZOPIPTSA-N 299.458 4.679 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 1637867495 XUPHDHANQPOBTD-GOSISDBHSA-N 285.431 4.830 30 10 CJEE C=CCCCCCN1CCS[C@@H](c2ccccc2)C1 1643719064 UJWCUZWZEGLBBU-QGZVFWFLSA-N 275.461 4.523 30 10 CJEE C=CCCCCCNC(C)(C)c1nc2ccccc2s1 1643980174 DLSIDCWNZZYGGZ-UHFFFAOYSA-N 288.460 4.867 30 10 CJEE C=CCC[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1 1645079847 ICUXEDBCSIMKRL-OALUTQOASA-N 299.458 4.633 30 10 CJEE C=CCCc1ccccc1NCc1ccc2c(c1)C[C@@H](C)O2 1650993271 ZIFVVTGXNQIMEO-OAHLLOKOSA-N 293.410 4.741 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(OC)c(C)cc1C 1652288327 MVVPSWFTVJRFTO-OAHLLOKOSA-N 261.409 4.859 30 10 CJEE C=CCCCCN[C@@H](COc1ccccc1F)C(C)(C)C 1653027875 WVFYTNMQIDUMOS-KRWDZBQOSA-N 293.426 4.565 30 10 CJEE C#CC[C@@H](NCc1c(C)cccc1Cl)c1ccccc1 1653964213 HSGRDTLKEZNPNS-GOSISDBHSA-N 283.802 4.503 30 10 CJEE 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CCCCCCCCN(Cc1cccnc1)C(C)C 1883314081 QIKZNKBLCDDOCC-UHFFFAOYSA-N 262.441 4.653 30 10 CJEE CCCCCCCCCCN(C)CC[C@@H]1CCCO1 1883841035 WHLUAMVADPUKNX-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE CCCCCCCCCCN(C)Cc1ccncc1 1883862243 NXCJUWOLURUAOG-UHFFFAOYSA-N 262.441 4.654 30 10 CJEE C=C1CCC(CN(CC)Cc2ccc(C)cc2)CC1 1884400312 UNMMOJAQLFLBRW-UHFFFAOYSA-N 257.421 4.563 30 10 CJEE CC(C)(C)C#CC[C@@](C)(O)c1cc2ccccc2s1 1886379739 FNLBZJOUCTXADC-QGZVFWFLSA-N 272.413 4.548 30 10 CJEE C=C(Cl)CC(=O)CCc1cc(Cl)cc(Cl)c1 1901980218 NUMRTDTURVVOHK-UHFFFAOYSA-N 277.578 4.638 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cscc1Cl 1903155599 IOBCCXOKJZHYMB-LBPRGKRZSA-N 257.830 4.654 30 10 CJEE C=C(C)CC[C@H](O)c1cc(F)c(Cl)cc1Cl 1904348988 WQYCHMUQBNACNM-LBPRGKRZSA-N 263.139 4.522 30 10 CJEE N#Cc1cc(F)ccc1N[C@@H]1CCC2(CCCCC2)C1 1915870002 JKYMFMUVFAYAGU-OAHLLOKOSA-N 272.367 4.612 30 10 CJEE CCCCCCCC[C@@H](N)[C@@]1(O)CCC2(CCCC2)C1 1916442004 IPFCONCIOFCLFX-SJLPKXTDSA-N 281.484 4.540 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCC2(CCCC2)C1 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30 10 CJEE CC[C@H]1CCC[C@](O)(C2(C#N)CCC3(CC3)CC2)CC1 2176614312 RTZWCIKNZLRKKN-MAUKXSAKSA-N 275.436 4.572 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(C(C)C)cc2)cc1 2177240118 AJDNMQBEHQAGDS-OAHLLOKOSA-N 263.384 4.964 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CC[C@](F)(CN)CC1 2178555032 KLSVHLCPAMNEAO-WOVMCDHWSA-N 285.447 4.553 30 10 CJEE CC(C)c1nnsc1C(=O)C1=CC[C@H](C(C)(C)C)CC1 2181636999 HGKGJXPGBJIZQW-LBPRGKRZSA-N 292.448 4.617 30 10 CJEE C=C1CC(C[C@H](NCC)c2cccc(C(F)(F)F)c2)C1 2182158222 PRIBJBZLKHXJMN-HNNXBMFYSA-N 283.337 4.712 30 10 CJEE C[C@@H](N=C1NC2(CCCCC2)CCS1)[C@@H]1CCC1(C)C 2188603543 LKHDTLYPJIYJCS-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE CCCCC[C@H]1CC[C@H](C(=O)[C@@H](C#N)C2(C)CC2)CC1 2189640976 XQUGPIOAQQOSKT-BZUAXINKSA-N 275.436 4.882 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCOCC1(C)C 2189769389 KQLCWNJRSOASQE-IRXDYDNUSA-N 284.484 4.941 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@]2(C=O)CCOC23CCCCC3)C1 2190282133 GCLGZFSVXVOMLW-ZACQAIPSSA-N 278.436 4.511 30 10 CJEE CO[C@@H]1C[C@@](C#N)(C[C@@H]2CCC=CCCC2)C12CCC2 2190397605 WOJDXKHUBTYHLV-BRWVUGGUSA-N 273.420 4.612 30 10 CJEE CC(C)c1ccccc1N=C1N[C@@]2(CC[C@H](C)C2)CS1 2194662831 YIVJWTFMTPJMOU-SUMWQHHRSA-N 288.460 4.693 30 10 CJEE CC#CCCCC[C@H](NC)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2196171575 KVVQHOSGGPPUSX-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC(=O)[C@]1(O)CCC[C@@H](CC(C)C)C1 2196596260 XBMJYCYXXZZWCB-WMZOPIPTSA-N 280.452 4.659 30 10 CJEE CCCCCCCCN(C)Cc1ccc(OC)cc1F 2196696621 XUISQKNDYPYGQE-UHFFFAOYSA-N 281.415 4.627 30 10 CJEE CCCCCCCCN(C)[C@H](C)c1cc(F)ccc1O 2196712871 IKSCLXDCMDHCQK-CQSZACIVSA-N 281.415 4.885 30 10 CJEE CCCCCCCN(C)[C@](C)(CN)CC1CCCCC1 2196734396 KOIUJWKPAPQCHN-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNCC(C)C)CCCCC1(C)C 2196848391 LEVXVEDNKGHFQU-PKOBYXMFSA-N 277.496 4.868 30 10 CJEE C=C(c1ccccc1)[C@](O)(CC)C1CCC(F)(F)CC1 2197139048 DMYNDIZDSKNEDU-QGZVFWFLSA-N 280.358 4.666 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=Nc2ccccc2C2CC2)N1 2197928940 RROKBVPBEPJDPM-HNNXBMFYSA-N 288.460 4.693 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C 2200042410 VHYJOVAFDUUTQM-RCCFBDPRSA-N 271.448 4.761 30 10 CJEE CCCCCCCCCOC1CCC2(CCCN2)CC1 2202255813 CHCJUIGQBWQKRY-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE C[C@@H]1C[C@](C#N)(CC2CC(C)(C)CC(C)(C)C2)[C@@H](C)O1 2203205165 RPERCADVJIZWFA-HBUWYVDXSA-N 277.452 4.936 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cc(C)ccc1F 2203785750 RCRJXTNHXOTVHC-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ccc(C(F)F)o1 2203819914 RAVWMOVWJVTDBP-CYBMUJFWSA-N 283.362 4.842 30 10 CJEE C#C[C@@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C1CCCC1 2204030079 AELGCAYAIVPBNU-FGTMMUONSA-N 275.480 4.763 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CCCC[C@H]1C(C)C 2206895368 UBXHIBAFVOOEAW-FUHWJXTLSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)CCC1CCCCC1 2206895518 VFFYPMIRWKCTBQ-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCC[C@@]1(N)c2ccccc2CC[C@H]1C 2206903892 VYIWPFBASYGULX-APWZRJJASA-N 271.448 4.950 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@](C)(O)CC(C)C 2206904074 XQZMBGCYOOOZEY-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CSc2ccccc21 2206904170 YRBWFZRPHGSOJF-SJORKVTESA-N 289.488 4.991 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1cccc(C)n1 2206904307 ZVAUBOQFEJTLKB-QGZVFWFLSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCCN1C(=O)C[C@@H]2CCCC[C@H]21 2207375593 GNRPTLQAMHEGHP-DLBZAZTESA-N 277.452 4.694 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@]1(C)CC1(F)F 2207396127 JNKATYZBVBATLG-CABCVRRESA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H](C)OCC(C)C 2207415183 RFGUYVZUQCLXIS-QZTJIDSGSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H](N)CC1CCC1 2207433160 XEKNSYAUQUJODV-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CC[C@@H](CC)O1 2207437485 QNYFGLORVUSQAF-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cnn(C)c1Cl 2207439848 XLNVSNUZPFLJEU-OAHLLOKOSA-N 298.858 4.804 30 10 CJEE C=CCCCCCCCCC[C@@H]1COC[C@H]1NCCC 2207447197 IAGSSXLNADXMRE-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1cccc(SC)c1 2207449926 QJHJMCSULQCNTD-IAGOWNOFSA-N 295.492 4.520 30 10 CJEE CCCCCCCNc1c(C)ccnc1Br 2211092530 IXZFHHAMKZZXNO-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1SCC[C@@H]1C 2214614807 DTNGZRYTVCPTBZ-DZGCQCFKSA-N 254.439 4.614 30 10 CJEE C=CCCC[C@H](C)NCc1cc(C)ccc1Br 2215170764 RPDLUPARVGEWNP-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE C=C(F)C[C@@H](NCCC)c1sc(C)c(C)c1C 2215535120 IHGRJXHYDJFAQU-CYBMUJFWSA-N 255.402 4.587 30 10 CJEE C=C(C(F)(F)F)[C@@](C)(O)CCCCCCCC 2217293072 OVPHAPVSBYFSBY-LBPRGKRZSA-N 252.320 4.607 30 10 CJEE C=CCCCCCCCCOCc1nnsc1Cl 2218647869 BVJUZYPYKQKDTP-UHFFFAOYSA-N 288.844 4.625 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cnc(CC)s1 2220083428 HGVSBQZDJVVYES-CYBMUJFWSA-N 266.454 4.622 30 10 CJEE C=CCCCCCCCN[C@@H](C(F)F)C1CCC1 2220084874 KIRKYHWYZQOBBN-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@H](COCCC)NCCC 2227270382 DXLLHFNIKACQIH-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCCOc1cccc([C@H](C)N)c1 2227274820 VTOSDWZHPMVQCR-HNNXBMFYSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCC[C@H](F)C1 2227280721 CNKGGELDIYEEGH-IRXDYDNUSA-N 269.448 4.973 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]2C[C@H]2C1 2227288648 VPNKGSZDWIAYMF-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)CC(CC)CC 2227291211 OZQDPLICDPHSFD-QGZVFWFLSA-N 268.441 4.659 30 10 CJEE CCOCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2227433978 SMKQXSOVJYJXDQ-RBSFLKMASA-N 283.481 4.501 30 10 CJEE C=C1CCC(C[C@@](C)(N)c2cc(C)cc(Cl)c2)CC1 2229550102 AUMBSCHQMVIRFF-QGZVFWFLSA-N 277.839 4.959 30 10 CJEE C=C[C@H](CCCCC)OCCC(CC)(CC)CNC 2231007808 CRGNIAAURSEMJZ-MRXNPFEDSA-N 269.473 4.554 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](NCC)c1ccsc1 2231027602 WPQJWFPBKNDMEY-JKSUJKDBSA-N 281.465 4.550 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)C[C@H](CC)C1 2231070199 QKPIPHYBUZDONH-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCCOC[C@]1(C)CCNC1 2231075805 GXSVBUYAALZBHE-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE N#C[C@@]1(Cc2ccc(C3CC3)cc2)CCCC12CC2 2231691413 BPIJBHVLMFDZRK-SFHVURJKSA-N 251.373 4.581 30 10 CJEE Cc1cc([C@]2(C#N)CCCCC23CCC3)ncc1Cl 2232103187 VWUSLMFXHXVZSB-MRXNPFEDSA-N 274.795 4.549 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc2ccoc12 2232397931 DLCTTXZPYOUXET-CJNGLKHVSA-N 257.377 4.686 30 10 CJEE C=CCCCCCCCCOC[C@@H](C)CNC(C)(C)C 2234044173 SPJNNUGCUDFEAO-KRWDZBQOSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 2235525135 YASHTTAONRJNTC-ADHGMGHFSA-N 281.484 4.551 30 10 CJEE CCN[C@](C)(C#N)CCCSCCCCCCC1CC1 2239357203 DMSXGEUWSZFFTH-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CCN[C@@H](CC#Cc1cccc(Cl)c1)CC1CCCC1 2239458015 ISIKHENXXNNQAI-SFHVURJKSA-N 289.850 4.640 30 10 CJEE C=CCCCCOc1ccc(C)cc1CN[C@@H](C)CC 2240214615 QJTANHXLKNIERT-INIZCTEOSA-N 275.436 4.618 30 10 CJEE CCc1cc(Cl)ccc1Nc1c(F)cc(C#N)cc1F 2240494860 JGPFCOYFCCWDAQ-UHFFFAOYSA-N 292.716 4.796 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCCCC1(C)C 2240566544 RUIXAUWLSRWWMO-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@H](C)N1CC(C)(C)C[C@@H](N)[C@H]1C 2240574657 RKCACUNRBRQHIW-GVDBMIGSSA-N 282.516 4.573 30 10 CJEE C/C=C/CCCO[C@@](C)(CCCCCCCC)C(=O)O 2240614407 PRQHZKUPBCXCSG-UABRLCRWSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@](C)(O[C@H]1CCC1(C)C)C(=O)O 2240615125 ZILKCPFSHSYHDP-YOEHRIQHSA-N 284.440 4.786 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C1=CC(=O)C[C@@H](C)C1 2248799327 RXFRKSOKVJCKAH-QMMMGPOBSA-N 269.171 4.684 30 10 CJEE C=CCCCS[C@H](CC)[C@@H](CCC)NCCC 2250020580 FHELFMRSDNCSKS-HUUCEWRRSA-N 257.487 4.633 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC[C@H](N)C1 2250066443 YOQLZFPOTFFGCG-LSDHHAIUSA-N 255.471 4.516 30 10 CJEE CCCC1CCC(C=O)(CC2(C)CC(C)C2)CC1 2253555073 INAHENFCVPBNLN-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C#CCN(CC[C@@H](C)CCCC(C)C)C(C)(C)C 2259648349 PEIFPKRQYCVSBG-INIZCTEOSA-N 251.458 4.573 30 10 CJEE CCCCCCCCNC[C@@]12CCCC[C@@H]1CC2 2260527172 JVFTVUBGVGNVNH-SJORKVTESA-N 251.458 4.907 30 10 CJEE CCCCCCC[C@@](CC)(OCCN)C(C)(C)C 2262744397 AAIQIBVOOFAXSA-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE Cc1cc(NC[C@H](C#N)C(C)(C)C)c(Cl)cc1Cl 2263200611 YPOHOZQCAIAISX-JTQLQIEISA-N 285.218 4.900 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1CC1(F)F 2263662096 RAQJJWSWDIHAAS-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H](C)NC1 2264665388 LZWCQUMSMSSGDT-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C1CCC(CNCC[C@H]2CCCCC23CC3)CC1 2264994567 FFEFSBHZBAKFNE-QGZVFWFLSA-N 261.453 4.683 30 10 CJEE N#CC1([C@H](O)c2csc(C3CC3)c2)CCCCCC1 2267871125 LTWBIKOOCBSUEL-OAHLLOKOSA-N 275.417 4.523 30 10 CJEE CCCCCCCNC1(C)C2CC3CC(C2)CC1C3 2267949299 JYRJJOASKOWMGI-UHFFFAOYSA-N 263.469 4.761 30 10 CJEE CC(C)[C@@](N)(CC=CC#CC(C)(C)C)c1cccs1 2268731027 KPQKEWIRAHIXGP-KRWDZBQOSA-N 275.461 4.554 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC2(CC2)[C@H]1N 2271589942 IXRPAFHUXNBRPF-CVEARBPZSA-N 281.509 4.906 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2271833690 SXJPWYWNVXEYKM-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CC1CCCCC1 2273998875 JWITUPMFTLDEEK-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C[C@@](O)(CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2274192321 KKCIYGDYMCRCKF-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)c1ccsc1 2275015127 AOMRGJHWKZGRBJ-CQSZACIVSA-N 284.421 4.641 30 10 CJEE C=CCCCCCCC[C@@](C)(CCC)OCC(=O)O 2275539178 UGNKBDQXAGXFFL-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C(C)=C(C)C 2276177890 TWYXGAXXSHWLQO-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCC[C@H](C)C1 2276456168 OIMZLQPGTFMZJQ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CC[C@](C)(CC[C@@H](C)CCCC(C)C)OCCN 2276701706 LOOPBOGLTGUIFV-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@H](C)CC 2278116161 YYVZZZJBKSAMHL-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@]1(C)OCCC[C@H]1NCC 2278240384 PBMQHXXZPHIGHA-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCC[C@@H](N)c1nc(C(F)(F)F)cs1 2278700480 OIBYDXLRVXQGHK-SNVBAGLBSA-N 292.370 4.688 30 10 CJEE C=CCCCCCCCC[C@@H](Cc1csnc1C)NC 2280118373 PBRUBXVBZRYMSN-KRWDZBQOSA-N 294.508 4.889 30 10 CJEE Cc1cc(N[C@H]2CCC[C@@H](C3CC3)C2)cc(C)c1C#N 2280560880 BFYHMRPXMTYQFM-CVEARBPZSA-N 268.404 4.556 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCC12CC2)NN 2281450484 OYERQXULYBRFDS-IAGOWNOFSA-N 280.500 4.929 30 10 CJEE CCCC[C@H](CC)COc1ccc(C(C)=NO)c(C)c1 2283262089 HAUABQOUEXRLLC-HNNXBMFYSA-N 277.408 4.788 30 10 CJEE CCCc1ccc(-c2sc(C#N)c(N)c2CCC)cc1 2283482746 MPGYEKIQVKGVEY-UHFFFAOYSA-N 284.428 4.774 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(CCC)cc1 2283534178 ZTLSJRAJPCNBRE-LJQANCHMSA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1COC2(CCC2)C1 2284753164 LPAJHTCRCXDGGQ-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=C(C)CCCC[C@H](COC1(C)CCCCC1)NCC 2287465627 LLPJEGSBTITMLC-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@H]1CCSCC(C)(C)C 2288861902 WTBQPZGHBJXYQT-RDJZCZTQSA-N 296.524 4.608 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2289759349 FOSBVPPLSNLCSQ-FGTMMUONSA-N 272.432 4.746 30 10 CJEE CCCCCCCCO[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C 2290213563 PLZLUCXLPMPENW-HZPDHXFCSA-N 283.500 4.906 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CCC(C)C 2291052398 STOUTCWSGIDEPE-JKSUJKDBSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@@H]1C)OCC(=O)O 2291953271 ZQFYSIQZNYSWEZ-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE CC=C(CC)[C@@](C)(CCCCCCCC)OCC(=O)O 2292340889 YUEAZYYQCNWFAF-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCCC1(OCC(=O)O)CC(CCCC)C1 2292714008 XHFBJAJFSWGINV-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@H]1CCC1(C)C 2292995339 XJNJZFVSGSULTD-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(OCCN)c1cccc(Cl)c1 2293133291 FNQGHWNTBNTKHT-RHSMWYFYSA-N 295.854 4.523 30 10 CJEE C=CCCCCCCC[C@@](CCC)(OCCN)C1CC1 2293581492 PMCGNFYWFOOQPY-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCCC(C)(C)CC1 2293692001 SEDRJNCNNQVOCO-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CC[C@@H](C)[C@@]1(OCCCN)CC(C)(C)CCC1(C)C 2294557098 RCXPRUZIKJIYRY-QAPCUYQASA-N 281.484 4.539 30 10 CJEE CCCCCCCCC1(OCCN)C[C@H]2[C@H](C1)C2(C)C 2294569277 WVMPUTPSZCAWCQ-HOTGVXAUSA-N 281.484 4.517 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)CCCC(C)C 2295245488 RCAGKBVASCZKLA-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(C)cc1OC 2295293905 JQMJBQQZCANCDP-WBMJQRKESA-N 295.854 4.910 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C1(C)CCC1 2295536373 MYOJJBXSESFIQQ-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)CN1CCCC1 2295677010 AAEINEXSSRNKGB-ROUUACIJSA-N 282.516 4.590 30 10 CJEE Cc1cc2cc(C(=O)C=Cc3scnc3C)oc2cc1C 2297785168 QHTGEEOGYBRFKS-UHFFFAOYSA-N 297.379 4.711 30 10 CJEE CC1CCC(CS[C@@H]2CCCC[C@H]2C#N)CC1 2299031338 WRRYDFDYSYBLPE-PFSRBDOWSA-N 251.439 4.628 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2301231227 WQVSRKZMIBVDLL-LKFCYVNXSA-N 273.203 4.938 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]1CF 2313501560 YHBKBMROUDGRJX-OAGGEKHMSA-N 257.437 4.711 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H](SC)C1 2314263843 YNOAJGUPHDWQNE-JYJNAYRXSA-N 269.498 4.633 30 10 CJEE C=C(F)CC(N)(C1CCCCC1)C1CCCCC1 2316416916 WAPCGLKJCKDVCM-UHFFFAOYSA-N 253.405 4.718 30 10 CJEE C=CCC(CC=C)[C@](CC)(CNCCC)C(C)C 2316737336 WNBUJFIQCWJDNY-QGZVFWFLSA-N 251.458 4.807 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2 2316779418 HHCBIUNWXQOEJY-QAETUUGQSA-N 250.426 4.700 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCC1CCC1)NCC 2321135464 VQLFACXAJMHAFX-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H](CC)CC(F)(F)F 2321177611 ROLMXHUVMQNCID-DGCLKSJQSA-N 264.331 4.917 30 10 CJEE CCCCCCC[C@@H](N)CCC1(C(F)(F)F)CC1 2321655951 GIQGBCZBCDFOEN-GFCCVEGCSA-N 265.363 4.797 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1ccc(CC)cc1 2322350522 PPHSICRUIGTUTN-UHFFFAOYSA-N 292.378 4.710 30 10 CJEE Cc1cc(C)c(C)c(OC[C@H](CS)CC(C)C)c1 2328522693 WAYHGJVTVREMPY-OAHLLOKOSA-N 266.450 4.583 30 10 CJEE CCCCCCCC[C@](C)(N)C#CC1(SC)CCC1 2336178742 BAXIMQNUGMKMAZ-INIZCTEOSA-N 281.509 4.744 30 10 CJEE C=CCC(CC=C)Nc1ccc(Cl)c2cccnc12 2338726842 FJSSQZJABRUQEA-UHFFFAOYSA-N 272.779 4.821 30 10 CJEE N#Cc1cccc(F)c1OCc1cccc(Cl)c1Cl 2339304752 VSVRCTGQCRNUPL-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCOC[C@@H](CCC1CC1)NCCC 2340738027 VIBYAGDVXFEPAT-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=C1C[C@@H]1C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341121789 KVJIMZXREXQIPC-CZUORRHYSA-N 298.257 4.870 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)CCCCC1CC1 2341415451 JXRPICAEXDVNDQ-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@H](N)c1cccnc1C(C)C 2342158892 RBRZSGBEWAIXBB-INIZCTEOSA-N 262.441 4.955 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@@H]2CC[C@H]2C2CC2)CC1 2342201573 IOTDBXFQPZHNEP-COXVUDFISA-N 260.421 4.764 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]1C1CCCCC1)NC 2344346997 XVUIZZIHIHDBPP-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1C[C@@H]1C1CCCCCC1 2344464156 IQTHGRQEQGYVSD-GVDBMIGSSA-N 264.453 4.946 30 10 CJEE N#C[C@]1(CCC2(C(F)(F)F)CC2)CCCCC12CC2 2344824937 IGLPTBBYSNEZKU-CQSZACIVSA-N 271.326 4.973 30 10 CJEE C#CCCCCCCC(=O)O[C@@H](C)CCC=C(C)C 2352921097 HIOKWDYYHXCSNB-INIZCTEOSA-N 264.409 4.638 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C[C@@]12CCC[C@@H]1C2 2358947608 AOICVTYUSLUHJS-NXHRZFHOSA-N 280.452 4.637 30 10 CJEE C=CCC(CC=C)Sc1cccc(C)c1CNC1CC1 2360373907 FHPOXTVBQSUKRV-UHFFFAOYSA-N 287.472 4.860 30 10 CJEE CC(C)/C=C1/CC/C(=C/c2ccc(Cl)cc2)C1=O 8553395 AALFNOPXDNVJAN-FOIMCPNXSA-N 260.764 4.669 30 10 CJEE Cc1cc(C)cc(Nc2ccc(C(F)(F)F)cc2C#N)c1 37333925 RZEUJOIZDJBEEK-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE Cc1c(Cl)ccc2c(Nc3ccc(C#N)cc3)ccnc12 40358974 OBNNILDGZZKFKY-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cc2ccccc2o1 51635585 XDKZLMYLMWGLRL-LLVKDONJSA-N 280.302 4.617 30 10 CJEE Cc1ccccc1C[C@H](C#N)c1cccc2ccccc12 57741516 BMMOLOGYGBMTJH-GOSISDBHSA-N 271.363 4.998 30 10 CJEE CCCCCCCCOc1cccc([C@H](C)NC)c1 59179071 ZQMNRDRLTSVDTC-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@@H](C#N)c1ccccc1 80799621 IDHSOEUEUZZCMB-GDBMZVCRSA-N 298.817 4.640 30 10 CJEE CCC1CCC(Oc2ccc(C#N)cc2Cl)CC1 85070240 FJZNXTOIJCDOTP-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE N#CC1([C@H](O)c2c(Cl)cccc2Cl)CCCCCC1 91880815 LRQHNHYYGNLBID-CQSZACIVSA-N 298.213 4.891 30 10 CJEE C=C(CC)C[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547290 YVFPQFFUQAIHSO-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE C[C@@H]1CCC[C@H](N(C)CC2(CS)CCCCCC2)C1 94580314 YIAIPVTVLXJPAM-CVEARBPZSA-N 283.525 4.767 30 10 CJEE SCCCCCCCCCN1CCCCCCC1 97799197 MXOTTYFKTYWSOQ-UHFFFAOYSA-N 271.514 4.913 30 10 CJEE O=C1CCCC/C1=N/Nc1ccc(C2CCCCC2)cc1 101361807 WVJGWRKHMBUKCJ-JZJYNLBNSA-N 284.403 4.645 30 10 CJEE CCCCCCCN1C(=O)[C@@H](CC)Nc2cc(C)ccc21 106593943 FQZSUVHUKJSGQL-OAHLLOKOSA-N 288.435 4.503 30 10 CJEE CCCCCCCCOCc1c(CN)oc2ccccc12 107346392 QBRWKNJJKYEOES-UHFFFAOYSA-N 289.419 4.769 30 10 CJEE C[C@@H](CCC#N)c1ccc(OCc2ccccc2)cc1 107579126 PDQHQPFWHKXXIR-HNNXBMFYSA-N 265.356 4.673 30 10 CJEE CCOc1c(C[C@H](C)CS)cc(Cl)cc1C(C)C 107632497 IWLRTPXSDSODMJ-NSHDSACASA-N 286.868 4.971 30 10 CJEE CCCCCC[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 110255885 PGVLNZOLCOIEBT-CQSZACIVSA-N 285.435 4.603 30 10 CJEE CCCCCCCCOC(=O)CC[C@H](CCN)C(C)(C)C 112753833 RLRQQDOHEQUAQA-MRXNPFEDSA-N 299.499 4.681 30 10 CJEE CCCCCCCCN[C@H](C)c1c(F)cccc1F 112936070 NXCPSCKPVZMJBO-CYBMUJFWSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@H]1C1CC1 114060858 QECWZLPFFQCWFX-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CN)c1ccc(C)cc1 115863135 YZTWPUANXJCJAG-MOPGFXCFSA-N 291.479 4.539 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)N(CC)CC 118140918 WQHRCBPUAITFIP-KRWDZBQOSA-N 285.516 4.999 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](OCC)C(C)C 122872153 LORSIQJISKJXPX-HOTGVXAUSA-N 258.446 4.549 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C(F)(F)Cl 130490419 VLSHUIRCBGGHJB-CYBMUJFWSA-N 298.849 4.961 30 10 CJEE CCCCCCCCCCC[C@@H](N)CCCOC 134130655 ASHRCCNDDWGMBN-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCN(c1ccccc1)c1cc(C)nc(C)c1C#N 156585344 IHTIJRCUDYIXKQ-UHFFFAOYSA-N 279.387 4.508 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1cccc2ccccc12 158812738 MKYNVENICCFFQX-LJQANCHMSA-N 267.416 4.573 30 10 CJEE C=C[C@@H](C)N[C@@H](c1cccs1)c1ccc(Cl)s1 159741198 CYZMDPNWIHDBPS-RNCFNFMXSA-N 283.849 4.717 30 10 CJEE Cc1cccc(Oc2ccc(C(F)(F)F)c(C#N)c2)c1C 164493030 OQGRCKAKDOAHEY-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE CCCCCCCC[C@](C)(CNC1CC1)C1CC1 166901918 BHLUFAXZXOZRQR-QGZVFWFLSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)ccc1F 169208251 BCXFXLPOKMRJSE-CQSZACIVSA-N 257.780 4.839 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 228822088 JYLZSGIROFQSAV-VXGBXAGGSA-N 271.326 4.711 30 10 CJEE CCCCCCCCC[C@H](NC)C1[C@@H]2CCC[C@@H]12 228986451 VZYKVIBGKNSVNM-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE C#C[C@@H](CCC)N[C@@H](CC)c1ccc(Cl)cc1Cl 229921025 PSNKNPRBFSCAPH-WFASDCNBSA-N 284.230 4.836 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232394233 FPZPPCWTWYEFJQ-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CC(C)CCCCCCNc1cc(C#N)cc(Cl)n1 232541195 FBOBLZYBFOCMFS-UHFFFAOYSA-N 279.815 4.625 30 10 CJEE C=CCCCCC[C@H]1CCC[C@@H]1CNCC(C)C 232601585 QRLSAZONOWNGHS-DLBZAZTESA-N 251.458 4.785 30 10 CJEE C=CCCCCCOc1cccc([C@H](C)NCCC)c1 233094204 SCWQNLZIUQKLTK-INIZCTEOSA-N 275.436 4.872 30 10 CJEE CCC[C@H]1CCCN(CCCCC(C)(C)C#N)CC1 233389610 AOQTVQZSRPLYRL-INIZCTEOSA-N 264.457 4.609 30 10 CJEE C=CCCCCC[C@H](Cc1cc(C)cc(C)c1)NC 234450014 SROCKNNGAYSHKH-GOSISDBHSA-N 259.437 4.570 30 10 CJEE O=C(C1=CCCCCCC1)c1ccnc2ccccc12 236394055 PKKHWFNHRBADJG-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(Br)c1 236549948 ZGVKJFGQPRBHJT-CQSZACIVSA-N 283.209 4.619 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCCC)C[C@H]1C 250837458 VRFIQZLCSIRIDG-RTBURBONSA-N 296.543 4.980 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cc(C)ccc2C(C)=NO)C1 252464281 UCWDLBDQRUCLRL-HUUCEWRRSA-N 275.392 4.541 30 10 CJEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N/N 253571298 OTWRKZRQJVDSJI-UYNUNPQYSA-N 288.479 4.734 30 10 CJEE ON=C1CCC=CCCC=CCC[C@@H]1Nc1ccccc1 254620568 SFZOEXJDYCKVCD-KRWDZBQOSA-N 284.403 4.764 30 10 CJEE Cc1c(C)c(C)c(CON=Cc2cccs2)c(C)c1C 254742276 RAAABKSMKFJUGA-UHFFFAOYSA-N 287.428 4.841 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)c3ccccc23)C1 300541683 AOTQIJWQXRUFFK-HIFRSBDPSA-N 264.372 4.702 30 10 CJEE CC/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1 307575437 KDLDITAEQNTLCU-QXMHVHEDSA-N 292.615 4.765 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCc2sc(Cl)cc21 311221820 PPUHRYHRUHHKNA-GFCCVEGCSA-N 283.868 4.971 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1csc2ccccc12 311533983 YPXKIIABHOGHHG-OAHLLOKOSA-N 271.429 4.601 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)C1CCCCC1)NN 311709775 NNXVAEPBMAMUDV-NVXWUHKLSA-N 268.489 4.785 30 10 CJEE CCSc1cccc(N(CC)CC(C)(C)C)c1C#N 311848280 OYAUNQUCBCLXQW-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnc(C)c(C)c1 311850546 OOAOYCYULZDGMT-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE CCSc1cccc(N2CCCC23CCCC3)c1C#N 312432622 BJLCKWDPWMHCTE-UHFFFAOYSA-N 286.444 4.583 30 10 CJEE C[C@@H]1CCC[C@H](C[C@@]2(C=O)CCc3ccccc3C2)C1 316812553 OMIIWLYJJNTKEK-GJYPPUQNSA-N 270.416 4.577 30 10 CJEE C/C(=C\Cl)CC1(C=O)CCC(C(C)(C)C)CC1 317370316 VTFRFNGLIGDCRA-ZRDIBKRKSA-N 256.817 4.941 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H](OCC)C1(C)C 328409290 OPOINDCHDRBMMS-ULQDDVLXSA-N 283.500 4.906 30 10 CJEE CC(C)(C)C[C@@](C)(C#N)Nc1cccc(Br)c1 384912648 QAFBEAYSLCKYKU-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1ccc(C)cc1Cl 386927676 FJAYPCPSJQNYIB-OAHLLOKOSA-N 279.855 4.629 30 10 CJEE C=CC[C@@H](NCCC)c1ccc2ccccc2c1F 389427363 OZHDFRYAPSOVOO-MRXNPFEDSA-N 257.352 4.596 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1nc2ccccc2s1 394961531 NQWYHVTVDAVNOE-LRDDRELGSA-N 270.401 4.559 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@@H]1CCC 397059847 PJCGCVQLCNWIIM-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@](C)(F)[C@@H]1CCNC1 400337370 HTZXWZBCPZCBLO-CVEARBPZSA-N 257.437 4.855 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H](N)C1(C)C 404827381 GUZZTJFMOORHGG-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE C=CCC[C@@H](NC1CCC2(CC1)CC2(F)F)c1ccco1 658264292 FIPJRDXRMYYPMO-NPCAHTBFSA-N 295.373 4.845 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCOC1)NCC 689484544 MEKUHSIXFZJWAG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](c1cccs1)C1CC1 692189030 DGGXVNYDJJYKIX-UKPHBRMFSA-N 275.461 4.924 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c(F)cccc21 692213811 IORVBHXOMINFEH-BVGQSLNGSA-N 273.395 4.538 30 10 CJEE CCCCCCCC[C@H](O)CC[C@H](N)c1ccccc1 695173602 HSGJZQNUOJOMPO-ROUUACIJSA-N 277.452 4.578 30 10 CJEE SCCCCCCCCCN1CCCC2(CC1)CC2 702598447 WJUTYACKEQWEDT-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE C=CC[C@H]1CCCCN(c2cccc(Cl)c2[C@@H](C)O)C1 703688689 PRLUOBMDQURYOO-KGLIPLIRSA-N 293.838 4.576 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)CCC(C)C 704464231 IVPAHTORLIZDJG-MRXNPFEDSA-N 269.473 4.850 30 10 CJEE CCSc1cccc(NC[C@H]2CCCC23CC3)c1C#N 706204029 WIYHLMYSBKDIEG-CYBMUJFWSA-N 286.444 4.662 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(C)c1C 709383980 XDCSPJXZODQGHA-SJLPKXTDSA-N 257.421 4.528 30 10 CJEE C#CCCCC1(CNCC)CC(C)(C)CC(C)(C)C1 710862033 QZRJBYLYGRNILG-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)ccc1F 715801134 WUPTZGWYROSOAF-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=CC[C@H](C)C(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 715811648 AUJVJSWGWMHMCX-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1cccc(F)c1C#N 720953154 FWCXBQCKZRENPZ-CQSZACIVSA-N 274.383 4.858 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(SCC)cc2)CC1 724545130 OQEQSHBBACEIJL-QGZVFWFLSA-N 275.461 4.935 30 10 CJEE C=C1CCC(CC(=O)c2cccc(F)c2Cl)CC1 724595311 QITGVSJGQOSERE-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C[C@H]1CC(CC2(C#N)CCC(C)(C)CC2)C[C@H](C)O1 724881826 GJYUWAUTDGXUIF-KBPBESRZSA-N 263.425 4.690 30 10 CJEE C=C[C@H](C)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1178166060 SXLRZHYADPDLIB-ZDUSSCGKSA-N 289.463 4.651 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(c3cccc(F)c3)CCC2)C1 1179537150 FYMYUYNWQDIILO-MAUKXSAKSA-N 287.422 4.582 30 10 CJEE C=CCC[C@@H](C)NC1CCC(c2ccc(F)cc2)CC1 1180716739 WJIXUDGTEXHVGX-MXWWQKGMSA-N 275.411 4.796 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 1206270154 KAWKRODQGWWDAL-CABCVRRESA-N 289.419 4.510 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@@H](CC)C1CCCCC1 1225825979 FQMMSAXXXYKFOD-INIZCTEOSA-N 294.483 4.637 30 10 CJEE CCCCCCCCC(=O)N(CC)Cc1ccccc1 1264227915 QRTIMFRKMRFHIQ-UHFFFAOYSA-N 275.436 4.786 30 10 CJEE C=CCC1(C(=O)Nc2cc(F)ccc2Cl)CCCCC1 1264937365 ZHVYDXZSTOIIOO-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=C[C@@H](CC(=O)O[C@@H]1CCCC(C)(C)C1)c1ccccc1 1275117313 ZGVOKYAXDXPDHC-DOTOQJQBSA-N 286.415 4.858 30 10 CJEE C=CCN(Cc1cnc(-c2ccco2)s1)c1ccccc1 1308696971 OWNCOHHKFFJETH-UHFFFAOYSA-N 296.395 4.596 30 10 CJEE C#CCCCCCCNCc1ccc(OC2CCCC2)cc1 1308758188 YYFBMTLICGTTHX-UHFFFAOYSA-N 299.458 4.681 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1308856671 JHENTZILYIMVOR-LTIDMASMSA-N 251.458 4.783 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CCCC[C@@H]1C 1459492290 VMUXFLZBVQLAJQ-FUHWJXTLSA-N 263.469 4.881 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2CC(F)(F)F)C1 1474228263 UOPIHCSSXSSFJS-CJNGLKHVSA-N 297.364 4.626 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@H]1CCCC1(C)C 1479018157 DDJXJAFBACCXTL-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C=CCCCCNC(=O)Cc1ccc(C2CCCCC2)cc1 1518518720 ZUTNKKAPKIDDTL-UHFFFAOYSA-N 299.458 4.749 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccccc1 1520011686 VIGPIUZMUBWKJH-JQHSSLGASA-N 285.431 4.636 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2cccc(C)c2s1 1529882199 WBIXUHDZTRPUHT-UHFFFAOYSA-N 287.428 4.684 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1nc(C2CCCCC2)cs1 1535369935 VBUKOYBTXVYQCC-GFCCVEGCSA-N 292.448 4.732 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1538139057 GVDRPJVZIROMKB-BFYDXBDKSA-N 285.431 4.816 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCC=C2 1538889970 HPRSDSIAPAOYGK-APWZRJJASA-N 295.426 4.511 30 10 CJEE C=CC[C@H]1N(C(=O)C[C@H](CC)C(C)C)CCCC1(C)C 1542577507 ATIKXQCUMBNJGB-JKSUJKDBSA-N 279.468 4.652 30 10 CJEE C=CC[C@H]1N(CCCc2ccsc2)CCCC1(C)C 1559797060 FNIJGMNZFQHOCG-MRXNPFEDSA-N 277.477 4.747 30 10 CJEE C=CC[C@H]1N(Cc2ccccc2SC)CCCC1(C)C 1559797416 PZJBKISRHMGUTM-QGZVFWFLSA-N 289.488 4.975 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCCSc2ccccc2)C1 1560256754 HEYKKPYSFDYPBB-JKSUJKDBSA-N 275.461 4.503 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC(C)(C)C1)c1ccccc1 1567612234 OEMIPPLQGHFGMX-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=CCC[C@H]1CCCN1c1nc2c(C)cc(C)cc2s1 1613022432 AVRWPYAXYOWDIR-AWEZNQCLSA-N 286.444 4.848 30 10 CJEE CCCCCCCCCN(C)C1CCC(OC)CC1 1615510902 YWGFGJIWZVVQPJ-UHFFFAOYSA-N 269.473 4.626 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(Cl)c(CCC)c1 1618637652 HHVZQEMSDKCOAB-UHFFFAOYSA-N 293.838 4.767 30 10 CJEE C#Cc1cccc(CNC/C(C)=C\c2ccc(Cl)cc2)c1 1620970383 KREMWDUNCROKKH-PTNGSMBKSA-N 295.813 4.514 30 10 CJEE C#CCCCCCCN[C@@H](CC)c1cc(C)ccc1C 1659789077 GMGZFKULZOTJPN-IBGZPJMESA-N 271.448 4.928 30 10 CJEE C=CC1CCN(CCCc2c(Cl)cccc2Cl)CC1 1663550875 YHFTWKJCFVZQDR-UHFFFAOYSA-N 298.257 4.824 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H](C)CC1CCC1 1878859413 UEKMJLJJZGVPRE-INIZCTEOSA-N 257.421 4.643 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](CC)COC 1879037747 XASDRILJJXZGLK-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 1879649749 DXKPUCUFKLTLMX-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CC12CCCC2 1882666377 QDBMEONBLNJSRV-SFHVURJKSA-N 269.432 4.645 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccccc1SC 1885265786 TULSCCNXVWZYIR-MRXNPFEDSA-N 275.461 4.643 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1cccc2ccsc12 1887503130 YHXCDZANSIORKL-CJNGLKHVSA-N 271.429 4.601 30 10 CJEE CN(Cc1cc(Cl)cc(Cl)c1)c1ccccc1C#N 1893298931 AVZQUKQSVDCSNU-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CC=C(CC)C(=O)c1ccccc1OCc1ccccc1 1894513571 BEINDUXHNRVMLY-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1sccc1Cl 1903144160 LNHVNUBHNXBXDK-QWHCGFSZSA-N 257.830 4.654 30 10 CJEE CC[C@@H]1NC(=N[C@@H]2CCC3(CCCCC3)C2)S[C@H]1CC 1915908937 TYZHMIGBTUFKSF-ILXRZTDVSA-N 294.508 4.739 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CC1(C)CCCC1 1919401079 DJDZVJZIOCPFHE-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@](C)(O)C[C@]12CC[C@](C)(CC1)OC2 1919908678 CWKGWMIQAIXCSN-OKZBNKHCSA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@@](C)(O)c1csc(Cl)c1 1919963482 VNAXGNDFLABDFM-CYBMUJFWSA-N 260.830 4.970 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NC)c1cccc(Cl)c1 1920790411 JRSZPBCFSAQJMA-DLBZAZTESA-N 297.870 4.712 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CC(CCC)C1 1921271074 IGLFNWCQZBUACH-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE Cc1cc(CC2(C#N)CCC(C(C)C)CC2)cnc1Cl 1925352064 UVOYGAGNIZKKRM-UHFFFAOYSA-N 290.838 4.942 30 10 CJEE CC1(C)OB(C=C2C[C@H]3CCCC[C@]3(C)C2)OC1(C)C 1933447483 AAMZLOHPMWNWOU-RHSMWYFYSA-N 276.229 4.535 30 10 CJEE CC#CCC[C@H](NCC)c1cc(Cl)c(Cl)s1 1939461252 OCOSFOCMRSNXNT-JTQLQIEISA-N 276.232 4.509 30 10 CJEE CCSC=C(CC#N)C1C2CC3CC(C2)CC1C3 1951312964 LNXWPCLNOGIZGD-UHFFFAOYSA-N 261.434 4.609 30 10 CJEE CCCCCCCCCCC[C@](C)(OC)[C@@H](C)N 1952329154 DPGIYGOPWZLPEQ-CVEARBPZSA-N 257.462 4.660 30 10 CJEE C=C(C)CN(CCSC1CCCC1)Cc1ccccc1 1954904327 IDHKCFFQEVIRSX-UHFFFAOYSA-N 289.488 4.741 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1cc(Cl)sc1Cl 1958083057 NAJNYERTIBKUNE-XCBNKYQSSA-N 265.205 4.691 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(Br)sc1C 1958089335 KGYARGMHRCRUEA-QMMMGPOBSA-N 287.222 4.604 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@@H]1CCCCC12CCC2 1961991373 DXIPENXTSTUXPB-SFHVURJKSA-N 298.426 4.689 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl 1964171549 KNAGGYSRODIUTL-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE C=CC[C@H](C)Nc1cc(Cl)ccc1OCCC 1996366966 YGWKXKIRWZYHEE-NSHDSACASA-N 253.773 4.505 30 10 CJEE C=CC1(C[C@H](N)c2cc3cscc3s2)CCC1 2002628747 VQYIIPRVFBAEFW-NSHDSACASA-N 263.431 4.709 30 10 CJEE c1csc(-c2ccc(CCCC[C@@H]3CO3)s2)c1 2025477769 FPYDHVLHHHTISX-LLVKDONJSA-N 264.415 4.588 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CC[C@H](C)S1 2034252846 MSEJCQGHHUTMPB-HRCADAONSA-N 271.514 4.999 30 10 CJEE C=C([C@@H](NC)c1csc2ccccc12)C(C)(C)C 2035419179 NMYWKWNFUMBXTK-OAHLLOKOSA-N 259.418 4.764 30 10 CJEE C=C([C@@H](Cc1ccc(Cl)cc1Cl)NC)C(C)(C)C 2035433251 BOYYDEGZOHRPPP-CQSZACIVSA-N 286.246 4.726 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C)Nc1ccc(Cl)cc1C#N 2036373503 CORJEOGPBQCBAL-VXGBXAGGSA-N 264.800 4.694 30 10 CJEE C=CCC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@H](C)C1 2040533931 OHLOOZNOBBQXIL-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@]1(CNC)C[C@]1(C)C(F)(F)F 2043558007 QDIQKGGNMCXYMX-STQMWFEESA-N 265.363 4.525 30 10 CJEE C[C@@H]1CCC[C@H](C(=O)C2=CCC(F)(F)CC2)CC1 2045231234 VGTCTOBMGQNURR-NEPJUHHUSA-N 256.336 4.518 30 10 CJEE C=CC(C)(C)CN[C@H](C)C1CCC(C(C)C)CC1 2049418396 QIECGLVNDXDJOA-QQFBHYJXSA-N 251.458 4.639 30 10 CJEE C[C@H](CC(F)(F)F)C[C@]1(C=O)CCCCC12CC2 2053407564 OUZOHHXFVRNDOX-AAEUAGOBSA-N 262.315 4.505 30 10 CJEE Cc1ccc(C(F)(F)F)c(OC(F)F)c1C(F)(F)F 2060212834 XOLHQCKQWPXQMT-UHFFFAOYSA-N 294.141 4.634 30 10 CJEE CCC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 2060397561 CTRXDGXTWGPNOO-VOTSOKGWSA-N 274.747 4.901 30 10 CJEE CC[C@](C=O)(Cc1ccc2sccc2c1)C(C)C 2064526517 AABDOMBYIBUDFT-MRXNPFEDSA-N 260.402 4.695 30 10 CJEE C=CCCCC[C@@H](NC)C(F)(F)C1CCCCC1 2065526528 UFMLKUGTLKABIY-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H]1CC[C@]12CCCNC2 2066116830 NOIUUIBXFGXDPC-IRXDYDNUSA-N 251.458 4.907 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)c1cscc1Cl 2067290594 WWWHYBWXEGXUJR-CQSZACIVSA-N 299.943 4.713 30 10 CJEE C=C([C@@H](NCCC)C(C)(C)CC(F)F)C(C)(C)C 2070021063 QOIXYMXMTWKPGU-CYBMUJFWSA-N 261.400 4.638 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)OC(C)(C)C 2072105762 DXVNBNUCXANOQT-GJZGRUSLSA-N 257.462 4.529 30 10 CJEE CCCCCCCCCN1CC[C@@H](SCCC)C1 2074945930 SOPLWXRGYWJCBB-MRXNPFEDSA-N 271.514 4.955 30 10 CJEE C[C@@]1(C(F)(F)F)C[C@H]1C1(C=O)CCCCCCC1 2078605464 QEJKGFYJCZOSFK-VXGBXAGGSA-N 262.315 4.505 30 10 CJEE C[C@@]1(C(F)(F)F)C[C@H]1C1(C#N)CCCCCCC1 2078612306 HJOCRKBOKAGAQT-VXGBXAGGSA-N 259.315 4.829 30 10 CJEE C=CC[C@H](CCCCC(F)(F)F)CNCC(C)C 2081728898 JDXARMKEADMDPM-CYBMUJFWSA-N 265.363 4.547 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1c(C)ccc(Cl)c1F 2082039501 NGUUOKKVHITJBW-GWCFXTLKSA-N 269.791 4.650 30 10 CJEE CCCCCC#CC[C@@]1(O)CCC(C)(C)C[C@H]1C 2083391647 PHTWBVOADKEPDO-NVXWUHKLSA-N 250.426 4.538 30 10 CJEE CCCC#CC[C@H](C[C@@H](C)C(C)(C)C)NCCC 2083409454 AEOMWYJXKUMBIN-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCC(=O)c1ccc(Cl)cc1N 2085849618 MRFJRGMAGXGAET-UHFFFAOYSA-N 265.784 4.632 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(O)c1Cl 2085856543 NSZBGDQZPAZYFJ-CYBMUJFWSA-N 267.800 4.572 30 10 CJEE C=CCCCCCCN(C)[C@@H](C)C[C@H](C)C(F)F 2085857174 WEWGEIDLDNZGRY-KBPBESRZSA-N 261.400 4.735 30 10 CJEE C=CCCCCCCCC[C@]1(CN)CCCSC1 2086261712 NTNTZAOPMHBFNS-MRXNPFEDSA-N 269.498 4.765 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H]1CC1(C)C)NN 2088149403 SPHBJRPWUJCBPQ-HOTGVXAUSA-N 268.489 4.785 30 10 CJEE CC(C)(C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C1CC1 2088441547 KMEGGIVVBZPTHK-LBPRGKRZSA-N 296.197 4.606 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H](CC(C)C)C(C)C 2088622104 IXMXONYPKAMQSD-DLBZAZTESA-N 265.485 4.722 30 10 CJEE C(#CC1CCCCC1)CNCCC1CCCCCC1 2093457311 KWWVAGMXMDGVOJ-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE O=C(CC#CC1CCCCC1)CCCc1cccs1 2093458999 BBNLZTHNJNWBBM-UHFFFAOYSA-N 274.429 4.614 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CC2(COC)CCCC2)C1 2094235414 KZESLKGEWSNCMP-DOTOQJQBSA-N 263.425 4.693 30 10 CJEE N#CC1(Nc2ccc(Cl)cc2)C[C@@H]2CCCC[C@H]2C1 2095230749 ZYGWHHJNKCBASD-STQMWFEESA-N 274.795 4.614 30 10 CJEE C=C([C@@H](NC)c1ccc(C(C)(C)C)cc1)C(C)(C)C 2096623405 CKUOARKHBVIEMQ-MRXNPFEDSA-N 259.437 4.847 30 10 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C=C[C@](C)(CNC1CCC1)C[C@@H]1CCC[C@@H]1C(F)(F)F 2240112561 FFVPPRCJIKNWCF-QEJZJMRPSA-N 289.385 4.690 30 10 CJEE N#C[C@@]1(Cc2ccc(C3CCC3)cc2)CCCC12CC2 2240375189 SWPISJGBXLNBNN-IBGZPJMESA-N 265.400 4.971 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@H]1C(C)(C)C 2240564291 BASQMLSTEREXFQ-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc2c(c1)OCC2 2240615194 AHPHRAVINQUJSU-GOSISDBHSA-N 276.420 4.580 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CCC12CCC2 2241412664 IYHRWUSJWFFYJM-GOSISDBHSA-N 269.432 4.645 30 10 CJEE Cc1c(Br)sc(C2=CCCCCC2=O)c1C 2243073641 UTMXWYSKACAIAN-UHFFFAOYSA-N 299.233 4.654 30 10 CJEE CCCC[C@H](CC)Oc1ccc(Br)cc1C#N 2249874714 RKABIIYYDZKFRJ-ZDUSSCGKSA-N 296.208 4.668 30 10 CJEE C=CCCCCCCCS[C@@H](C)[C@H](CC)NC 2250064260 BIBZBNHGSSPNGM-GJZGRUSLSA-N 257.487 4.633 30 10 CJEE N#Cc1sccc1CNc1cc(Cl)ccc1Cl 2252634505 GKIMPRZIQDIOFV-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=C(C)CCCCc1cccc(OC(F)(F)F)c1 2259237894 PYSOEYRJAALTBH-UHFFFAOYSA-N 258.283 4.874 30 10 CJEE C=CCCCCN(C)[C@@H]1CC(C)(C)CCC1(C)C 2261437904 FTGUCIARYWPAPC-OAHLLOKOSA-N 251.458 4.879 30 10 CJEE Cc1ccc(N(C)CCCCCCCS)c(C)c1 2263207098 KQFGMJMEUJRHKK-UHFFFAOYSA-N 265.466 4.620 30 10 CJEE N#CC1(CC[C@H]2CCCC23CC3)C[C@@H]2CC[C@H](C1)S2 2266588362 CSZMZYSOMNZXNM-JZWPEALZSA-N 275.461 4.915 30 10 CJEE CCCN[C@H](C)[C@H](CC=CC#CC(C)(C)C)C(C)C 2268741263 GDVDWRDJAKAGGG-IAGOWNOFSA-N 263.469 4.643 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cscc1C(F)F 2268819782 GPAPMILNEKCAGZ-CYBMUJFWSA-N 283.387 4.681 30 10 CJEE C=CCCCCCCCS[C@H]1CCC(F)(F)[C@H]1NC 2271596891 OHAKZPXKHYJDLT-KBPBESRZSA-N 291.451 4.632 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1csc(C)c1OC 2271656423 CYUPDNZJEYYSSZ-SWLSCSKDSA-N 281.465 4.708 30 10 CJEE C=C(C)CCCC[C@H](NC)c1c(F)cc(C)cc1F 2271752145 DIFUXPPOLJMZIA-HNNXBMFYSA-N 267.363 4.670 30 10 CJEE C=C(C)CCCCN(C)C[C@]1(C)CCCCC1(F)F 2271832935 JHIROCUNEQHIQV-HNNXBMFYSA-N 273.411 4.880 30 10 CJEE CC[C@H]1CCSC(=NCC[C@@H](C)CCCC(C)C)N1 2272261891 XJYBNPPITXKZTB-GJZGRUSLSA-N 284.513 4.700 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1CCCCCC1 2273997480 ZMWMUNHOCMWZRW-SFHVURJKSA-N 261.453 4.519 30 10 CJEE O=C(CC#CC1CCCC1)Cc1cc(Cl)cc(Cl)c1 2274139254 RSZJDGROUJKGGI-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE CCCCCCC[C@](C)(CC(C)(C)C)OCC(=O)O 2275641068 LTQHLFLRDBVFDD-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](CCC(F)(F)CC)OCCN 2276562828 ALYHCIJRZJKLFS-CQSZACIVSA-N 279.415 4.516 30 10 CJEE CCCCCCCC[C@H](OCCN)C1=CCCCC1 2277188280 XUPVRYCPJCFZGL-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=C1CCC(CC(=O)c2nc(C(C)(F)F)cs2)CC1 2278629838 OMUCGLOXNWXZHU-UHFFFAOYSA-N 285.359 4.574 30 10 CJEE C=CCCCCCCCNc1cc(F)c(OC)c(F)c1 2283253921 SHEATYBBNBVFMJ-UHFFFAOYSA-N 283.362 4.912 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(CCC)cc1 2283534481 ZIRWRXXQZYMTDQ-SFHVURJKSA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCC[C@H]2CC[C@H]1O2 2283840208 PVKGPWADPUASCI-XMTFNYHQSA-N 281.484 4.815 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](N)CC=CC#CC(C)(C)C)CC1 2284100738 JEOHFIXZZDVACD-SQNIBIBYSA-N 275.480 4.916 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC1CC(C)(C)C1 2284165628 UPQNAHVGDLOSET-KRWDZBQOSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2284165705 VADBEWRKRRUFEB-VSZNYVQBSA-N 273.464 4.526 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCC1(C#N)Cc2ccccc2C1 2284970076 IBWQGPVQADBFQX-CVEARBPZSA-N 267.416 4.902 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC[C@@](N)(C#N)[C@H]1C 2287097036 RLHXBFXXYREIJX-GVDBMIGSSA-N 294.508 4.656 30 10 CJEE C=CCCCCCCC[S@](=O)[C@H](C)c1ccc(N)cc1 2287184243 JODMSTKZOFMFLL-QRWLVFNGSA-N 293.476 4.605 30 10 CJEE CC1(CSCc2cccc(C#N)c2)CC(C(F)(F)F)C1 2287323517 VCUPDYMXUGUCFE-UHFFFAOYSA-N 299.361 4.770 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H](O)CCCCCCCC 2287385205 NDJZKDNXEVUOIK-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@H](CC1CC2(CC(C)C2)C1)NN 2287801216 SDPPAGIFPLCTIG-DFQJWARBSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)C[C@@H]2CCC[C@@H]21 2288417964 NKMGTZJWCSIBJS-BQFCYCMXSA-N 279.468 4.604 30 10 CJEE CCCCCSCC[C@H]1CCCC[C@]1(C#N)NC(C)C 2288875237 OIEDGKKCIKELRN-IAGOWNOFSA-N 296.524 4.750 30 10 CJEE N#Cc1cc(F)c(NC[C@@]23CCCC[C@@H]2CC3)cc1Cl 2289018307 XSXHAJOFRQEBEQ-WBMJQRKESA-N 292.785 4.733 30 10 CJEE C=C1CC([C@@H](NCC)c2cccc(C3CCCC3)c2)C1 2289280226 CSQOWDXQAQNOII-IBGZPJMESA-N 269.432 4.961 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CC(C)(C)CCC1(C)C 2290326311 QHVNKRBMORFNEH-OAHLLOKOSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1CCC[C@H]1C 2290610618 BOGWCMGODRSBJF-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](CC)(OCC(=O)O)c1ccsc1 2290920038 FBKIYLOAULGTCQ-INIZCTEOSA-N 298.448 4.815 30 10 CJEE CCCCCCCCCC[C@]1(OCC(=O)O)C=CCC1 2291650401 YHLBCRMUBKHXLD-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCCN)[C@@H]1CC1(C)C 2292785105 RDILFAUPHCJCFX-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@@](CC)(CC1CCCCC1)OCCCN 2293065925 WJHJJHSHBYHURS-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCC[C@H](C)C1(OCCCN)CC(C)(C)C(C)(C)C1 2293137422 BDHSEBUBMAMSTM-HNNXBMFYSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)[C@@H]1CC1(C)C 2293783806 BWZXPZRKLUXEOS-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C=C1CCCCC1)OCCCN 2293921210 IZAQAWXTWDMRBC-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](CCC1=CCCCC1)OCCN 2294045198 QMURMANSIJRFDI-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CCC[C@@H]1F 2294331038 OYEYHCDZDGGDKR-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE CCC(C)(C)c1ccc(OCc2ccsc2C#N)cc1 2294715937 XDPVMOCRYZKNBU-UHFFFAOYSA-N 285.412 4.886 30 10 CJEE CC(C)C[C@H]1CCC[C@](N)(C#Cc2ccccc2Cl)C1 2295226054 FKZIYHSZFQZTLA-QAPCUYQASA-N 289.850 4.625 30 10 CJEE COc1cc(CC2(C#N)CCCCCCC2)cc(Cl)n1 2295658253 DTWAZQKDVGMLHR-UHFFFAOYSA-N 292.810 4.540 30 10 CJEE C=CC[C@@H](C)Sc1nc(Cl)cc2ccccc12 2298889172 RIKMZLYRVFLKLM-SNVBAGLBSA-N 263.793 4.945 30 10 CJEE C=CCC(CC=C)C[C@@H](N)c1ccc(Br)cc1 2301061817 BEPAAFPHRYHFQO-OAHLLOKOSA-N 294.236 4.607 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1sccc1C 2304049262 OSBNXNPDHGJWEF-CQSZACIVSA-N 251.439 4.700 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1csc(CC)c1 2304061724 HNRGFJWCTWNONC-AWEZNQCLSA-N 251.439 4.563 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1c(Cl)cc(C)cc1Cl 2307628197 ZZDJXRXZOCPBLU-QMTHXVAHSA-N 273.203 4.938 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CF)NC 2310959724 XLMSPKPCQZIIAU-JYJNAYRXSA-N 257.437 4.711 30 10 CJEE CCCCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312879900 LCULQJZXXVGRFQ-QZWWFDLISA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313190802 NYGLXHAZZHEMCZ-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@]1(F)CCC2(CNC2)C1 2317513576 NSPIHKBJOBYGRP-INIZCTEOSA-N 255.421 4.609 30 10 CJEE CCCC[C@](C#N)(CC)CC(C)(C)[C@H](O)C(C)C 2318033098 OPFGDIUCEVWSPC-GDBMZVCRSA-N 253.430 4.530 30 10 CJEE CCCCCCC[C@H](N)CC[C@@H]1CC[C@@H]1C1CC1 2319692377 IEUKFDKBZQKDIL-IXDOHACOSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CC[C@H]1C(C)(C)C 2320156090 KBVMLHOKMODUBD-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H](C)[C@@H](C)C(C)C 2321132532 ZMEVJUOJAQIUKI-ARFHVFGLSA-N 253.474 4.885 30 10 CJEE C=CCC(C)(C)C(=O)CC1(C)CC(C(F)(F)F)C1 2321141986 RXAHOWHNDWSEPU-UHFFFAOYSA-N 262.315 4.527 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C[C@H]1CC[C@H](CC)CC1 2321220943 XDKXDPBVQGXHDS-LUKYLMHMSA-N 252.442 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CCCCC1(F)F 2321225213 WDBKNHOEYLLPIY-MCIONIFRSA-N 260.368 4.555 30 10 CJEE CCC(=NOCc1ccc(C)cc1)c1ccc(C)cc1C 2330259120 KPYJBWJOVVYFEX-UHFFFAOYSA-N 281.399 4.943 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 2332235277 IKOIRLHGDKQUEK-DWMDIXPDSA-N 263.469 4.760 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccc(F)c(C)c1Cl 2338551633 OTSCPVDPTYLDRW-INIZCTEOSA-N 275.754 4.501 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(C)c2ccccc12 2341927912 CDOWNIRRWSHDFO-GOSISDBHSA-N 253.389 4.765 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C(C)(F)F)CCC1)NCC 2344354869 DAJDCZQFEFTCCB-ZDUSSCGKSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344475177 GFALGCLCCGXACS-UJHHCITNSA-N 264.453 4.802 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(Sc1ccccc1F)C2 2345006963 UTIHZOPCMLNQED-UHFFFAOYSA-N 275.392 4.780 30 10 CJEE C=CCCCSC1(C(=O)O)CCC(CC)(CC)CC1 2352012876 CZCYXPZXLGXSIP-UHFFFAOYSA-N 284.465 4.890 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCCC1(C)C 2352311185 CFYYNTIHDJYJKD-WMLDXEAASA-N 285.541 4.869 30 10 CJEE CC(C)C[C@@H](CS)CN(C)C[C@H]1CCCC(C)(C)C1 2353835490 MMGVFHGBDPMZCC-JKSUJKDBSA-N 285.541 4.727 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)C[C@@H]2CC[C@H]1C2 2354291170 IPMAUNTWJYXKTQ-RYRKJORJSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@]2(C)CCO[C@@H]12 2360179622 JCRHHBICVVSFLK-XLAORIBOSA-N 281.484 4.673 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc(CNC2CCC2)cc1F 2360377777 KQHGCOLUFHRQSS-LLVKDONJSA-N 297.414 4.664 30 10 CJEE CC(C)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 5294919 QAIVSFVQDMYLGB-LFYBBSHMSA-N 268.331 4.845 30 10 CJEE CC(C)(C#N)c1ccc(NC2CCCCCC2)cc1 36922186 MXWHZPABSYXEMH-UHFFFAOYSA-N 256.393 4.622 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156729 UTCSODOZCOBBIA-FIXISWKDSA-N 281.371 4.775 30 10 CJEE CC(C)CCC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 50039112 LDGTVQZEQNMTNO-NSHDSACASA-N 284.186 4.606 30 10 CJEE N#CC[C@@H](Nc1cc(Cl)ccc1F)c1ccccc1 55016483 SYHRSXPYXAVUJL-CQSZACIVSA-N 274.726 4.546 30 10 CJEE N#Cc1cc(Cl)ccc1SC1CCCCC1 71137162 JZTWBDFKWWHQFH-UHFFFAOYSA-N 251.782 4.636 30 10 CJEE CCc1oc(-c2ccc(Cl)c(Cl)c2)cc1CC#N 77076550 NLRGMNGJAXTSEB-UHFFFAOYSA-N 280.154 4.882 30 10 CJEE COc1cc(C)c(C)cc1-c1cc(C#N)c(C(C)(C)C)o1 77085491 AIMMUTLMHJOCNT-UHFFFAOYSA-N 283.371 4.741 30 10 CJEE CC[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 79343465 GMHQLRKLZPPNTH-LBPRGKRZSA-N 296.336 4.594 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)CC1 86942422 RYCYZEYNGBBVLO-HOTGVXAUSA-N 286.419 4.606 30 10 CJEE C[C@H]1CCC[C@@H](CNc2ccc(C(C)(C)C#N)cc2)C1 89605865 VNOVPAHQWRMKJT-LSDHHAIUSA-N 270.420 4.726 30 10 CJEE CCC(C)(C)C1CCC(O)([C@@]2(C#N)CC[C@H](C)C2)CC1 91875967 KXSPOUBQHMNMIW-JWFMREHNSA-N 277.452 4.674 30 10 CJEE COc1ccc(OC[C@H](CS)C(C)C)c(C(C)(C)C)c1 94583381 FRIKFSQQVYKNTA-CYBMUJFWSA-N 296.476 4.574 30 10 CJEE CCCCCCCCNCc1ccc(F)cc1Cl 105932014 QXAAPLLLDMKCEZ-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE CCCCCCCCNCc1ccc(F)c(C)c1 106250767 NNSWPJFYCZHLMY-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE CCCCCCCNc1ccc([N+](=O)[O-])c(Cl)c1 106350092 ALWFHGHGGFIBSU-UHFFFAOYSA-N 270.760 4.631 30 10 CJEE CCCCCCCN[C@@H]1CCCc2sccc21 109957835 FCHMLKKXTNFSFU-CQSZACIVSA-N 251.439 4.686 30 10 CJEE CCCCCCCCCOc1cccc2c1CC[C@H]2N 110100860 MUWOFESZZSOKFA-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE CCC[C@@](C)(C=O)CN(CC)c1cccc2ccccc12 110118288 IGXZBILYMHDJRT-LJQANCHMSA-N 283.415 4.671 30 10 CJEE Cc1cc(Cl)ccc1Nc1ccc(C#N)cc1Cl 110253533 LVOPQJQULAXPRB-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCN(c1cc(Cl)ccc1C#N)C(C)C 110256353 VIOCJNWTJYHBTC-UHFFFAOYSA-N 264.800 4.617 30 10 CJEE N#Cc1ccc(N[C@H]2CCCc3ccccc32)c(Cl)c1 110465513 WPSUKSBPHCGAPC-INIZCTEOSA-N 282.774 4.701 30 10 CJEE CCCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@]1(C)CC 114066320 BMIMMNOSOGXXJY-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1COc2ccccc2C1 115845248 UMNLEUXUCZDERY-QZTJIDSGSA-N 289.463 4.706 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(CC)N1CCCCC1 118164546 LFYSUYNFUBMXAZ-RTBURBONSA-N 296.543 4.980 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccccc1C(C)(C)C 125723922 KECRXJPZYZOTPU-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1F 127229161 FVMRUUOUIIIFRH-INIZCTEOSA-N 288.753 4.914 30 10 CJEE N#CCCCOc1cccc(NCCC2CCCCC2)c1 127340429 IDZAAMBBVFQFFL-UHFFFAOYSA-N 286.419 4.751 30 10 CJEE Fc1cccc(F)c1OCC1(CS)CCCCCC1 130227835 JIZFPXSLRBFEHE-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)O 131314177 DASGBFIDKONAER-MCIONIFRSA-N 252.398 4.506 30 10 CJEE CSc1cccc(Oc2cc(C)cc(C)c2)c1C#N 136704709 WWJHXQDXRBPUEK-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE CCCCCCCC[C@@H](CCc1ccncc1)NCC 140398761 GQJDOJNNYHASMD-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@H](CCCOCC)NCCC 140441997 IVIHGJMLFWMHOT-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE Cc1cc(OC[C@H](C#N)CCC#N)c(C(C)C)cc1Cl 153148651 FMZKCENXIGKUPQ-ZDUSSCGKSA-N 290.794 4.594 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1ccc(C(C)(C)C)cc1 158965481 FLWZXTOBRXGYHR-HXUWFJFHSA-N 287.491 4.965 30 10 CJEE N#CC1([C@H](O)C2CCCCCC2)CCCCCCC1 159006903 WXBIFFODIXDUQI-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CC(C)(C)OC1(C)C 160106388 IFIBODKNPYNPJA-LSDHHAIUSA-N 270.457 4.692 30 10 CJEE CCCCCCCCOc1cc(NCC)nc(CCC)n1 162564928 CTIHAOFXVBAACD-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 163956556 GRNHLYBAWKYORZ-NSHDSACASA-N 284.325 4.958 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)(C)C 169072252 HYCHCQWYDTXHSU-RCCFBDPRSA-N 277.496 4.867 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 189903696 MEXSXILSZKCVDY-ZVZYQTTQSA-N 295.426 4.689 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCCC1(C)C 226908527 XIMIIOCVZMVQPS-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 228818639 REEKWEUKPHGLJZ-DOMZBBRYSA-N 251.801 4.735 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(C)cc(C)cc1F 232928913 WYCRDEZBEQNUTQ-MRXNPFEDSA-N 280.431 4.698 30 10 CJEE CCCCCSc1cccc(SCC)c1C#N 233097093 HPALZGZDQCZLSY-UHFFFAOYSA-N 265.447 4.953 30 10 CJEE C[C@@H](N)c1ccc(SCCCCC(C)(C)C#N)cc1 235176661 ZJMHHGJBVXDOSR-CYBMUJFWSA-N 276.449 4.518 30 10 CJEE Cc1ccc(N[C@H](C)c2ccccc2Cl)c(C#N)c1 235275571 GZSANKZWWVQHMR-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2csc(Cl)c2)c1 235530847 NBHHGLPTYSJLGW-JTQLQIEISA-N 261.777 4.556 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@H]1CC 250797532 BIAAYEMSBGFCQD-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE COc1ccc(C=Nc2nc(-c3ccccc3)cs2)cc1 254743579 IENOOEUXSAPWPN-UHFFFAOYSA-N 294.379 4.569 30 10 CJEE COc1c(C)ccc([C@@H](CC#N)C2CC2)c1C(C)C 260818442 IGOAOLOFVMJZDO-AWEZNQCLSA-N 257.377 4.534 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1Cl 305898123 SZFAUKCYZLOLQW-ZDUSSCGKSA-N 284.230 4.694 30 10 CJEE CCCCCCC[C@H](C)Nc1ccn(C(C)C)n1 305971330 KOLJCZGGAAMZAF-AWEZNQCLSA-N 251.418 4.625 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3cc(C)ccc3s2)c1 308171806 WGUNMBNKANAEHH-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE CO[C@H]1CCCC[C@H]1C1(C#N)CCC(C(C)(C)C)CC1 312888969 AOSOOYBXPMCGBX-NDUQDZPOSA-N 277.452 4.938 30 10 CJEE CCCCCCC[C@H](N)c1c(Cl)cccc1OC 314862588 DXFONHYYXJFMRQ-ZDUSSCGKSA-N 269.816 4.709 30 10 CJEE CCCCCCC[C@H](CNC(C)(C)C)OC(C)C 316624575 WVBJFVMXKNTMFS-OAHLLOKOSA-N 257.462 4.529 30 10 CJEE CC1(C)CCC(C=O)([C@H]2C[C@@H]2c2ccccc2)CC1 317287438 USLLZVHHRFMKLY-CVEARBPZSA-N 256.389 4.576 30 10 CJEE CCCCCCC[C@](C)(CNC(C)C)OC(C)C 318352157 WYSJBIVIYLDQEJ-MRXNPFEDSA-N 257.462 4.529 30 10 CJEE CCN(CCCCCCCCCS)[C@H](C)C1CC1 324682788 PRPBOCAKTMALGU-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCCCCCCCOC[C@H]1CNc2ccccc2C1 380734918 LFJHNMIIZDISHY-MRXNPFEDSA-N 275.436 4.648 30 10 CJEE CCCC(CS)(CCC)COC[C@H](C)CSC 383001004 ZOQYTULPTAFNDO-ZDUSSCGKSA-N 278.527 4.519 30 10 CJEE C=CC(C)(C)CN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 384814625 AQVWYEZAMKMLAK-CGTJXYLNSA-N 271.448 4.761 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(C)c(C)o1 385408925 QWZJWPCVMZTASI-OAHLLOKOSA-N 251.414 4.908 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)s1 390585313 QNMWDEDNKFGLLH-UHFFFAOYSA-N 257.830 4.628 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(SC(F)(F)F)cc1 393757586 AQMFYBLTYTVSGZ-GFCCVEGCSA-N 289.366 4.743 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 394048633 LMHUNFSYINFLCE-YLFCFFPRSA-N 264.457 4.605 30 10 CJEE N#C[C@H](CN(C1CCCCC1)C1CCCCC1)C1CC1 397260521 IESUBLYISIVUIQ-MRXNPFEDSA-N 274.452 4.504 30 10 CJEE Cc1ccc(C(=O)[C@H](CC#N)c2ccccc2)c(Cl)c1 404664990 TXLPIVIYEGHJHF-CQSZACIVSA-N 283.758 4.529 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](CC)c1ccccc1 410344063 JRZIHLSMWCBHGB-GOSISDBHSA-N 293.410 4.938 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)ccc1SC 464647177 JREGCKWAPDEJDR-JTQLQIEISA-N 283.824 4.603 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 466425090 IMMFZIOVRIYNCF-AOIWGVFYSA-N 299.458 4.897 30 10 CJEE C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C)(C#N)CC1 506031731 MSKYKOTVEQFXDQ-NSHDSACASA-N 297.229 4.680 30 10 CJEE C/C=N/Oc1cc(CCCCCCCC)ccc1O 585668759 FTRDJCMWHWEPMD-HAVNEIBRSA-N 263.381 4.680 30 10 CJEE Fc1cc(N=C2NC3(CCCC3)CCS2)ccc1Cl 687325538 GXNRHUMRYJDDDJ-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CCCCCCCCCNCCCc1ncccc1C 693685362 AYZKFZPBOSWDOQ-UHFFFAOYSA-N 276.468 4.663 30 10 CJEE N#Cc1cc(Cl)ccc1NC[C@@H]1CCCC2(CC2)C1 695757152 OZYGZYFTKTZDCQ-GFCCVEGCSA-N 274.795 4.594 30 10 CJEE SC[C@@H](Cn1c2ccccc2c2ccccc21)C1CC1 702029849 WPCUMNQEVXPICA-CQSZACIVSA-N 281.424 4.751 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(COC)cs1 702042288 CVCSVUDQHRMUAS-OAHLLOKOSA-N 283.481 4.906 30 10 CJEE CCCCCCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 703761994 RKDMWPDVGABGHP-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(OC(C)C)c1 710589307 GNXFDALSZCECTM-MRXNPFEDSA-N 281.827 4.657 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1 710681843 OPFBEZWLAYAFTG-HIFRSBDPSA-N 257.849 4.714 30 10 CJEE CCCCCCCCCNC[C@H](C)[C@@H]1CCCCO1 712054318 YHWCZEWNIIKTBK-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C[C@@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712568419 CYPGYRHNRLAOAQ-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE CCCCCCCCC[C@@H](O)c1scnc1Cl 712882154 ONDVPQYLMPWXGM-LLVKDONJSA-N 275.845 4.971 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cccc(Cl)c1F)NCCC 715719047 JUXSRIGUWMEFRV-SWLSCSKDSA-N 283.818 4.602 30 10 CJEE C=C1CCC(CC(=O)c2ccc(F)c(Cl)c2)CC1 724580440 WQCMKXWZYTZIEE-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE Cc1ccc(NN=C2CC=C(c3ccc(F)cc3)CC2)nc1 776768125 JJZAJSVVZLHQRX-UHFFFAOYSA-N 295.361 4.565 30 10 CJEE CC(=NOCc1ccc(F)cc1)C1CCC(F)(F)CC1 788723701 ZTSOLZWQSSDURJ-UHFFFAOYSA-N 285.309 4.544 30 10 CJEE Cc1cc(Nc2nc(Cl)c(C#N)s2)cc(C)c1Cl 821913505 XDIQLRRFNAZBEM-UHFFFAOYSA-N 298.198 4.682 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCC1CCCCC1 1126141985 SVBYTUHXXZPOEL-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 1126449724 BSUZCLOVDKPZHV-PKOBYXMFSA-N 299.458 4.959 30 10 CJEE C=C1CCC(CNC(=O)CC(C)(C)C2CCCCC2)CC1 1133320506 NJTYXCQWKREFHJ-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=C(C)c1cccc(NC(=O)c2scc(C)c2Cl)c1 1134838299 VCRCSLKNTVMLBN-UHFFFAOYSA-N 291.803 4.995 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1cc(C)ccc1C 1150579231 RGYKWCFIPDWYMW-FUHWJXTLSA-N 285.431 4.569 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(OC(C)(C)C)c(C#N)c1 1181919389 CNPCWJUKSSBDHZ-HNNXBMFYSA-N 286.419 4.892 30 10 CJEE C=CC[C@H](C)Sc1ccc(OC)c(Br)c1 1190121161 VOVAWKOZFRYCAQ-VIFPVBQESA-N 287.222 4.514 30 10 CJEE C=CC[C@@H](C)N(CC)CCc1ccc(C(F)(F)F)cc1 1195368532 WMAXQWAZCZVYHK-CYBMUJFWSA-N 285.353 4.534 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 1205434825 QZXZJAKYSXFTBG-PBHICJAKSA-N 279.374 4.916 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCC(C)(C)CC(C)(C)C1 1230815698 URAMMCIVKKHFNF-OAHLLOKOSA-N 294.483 4.589 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(F)CCOCC1 1258231870 WGWGPAJIECSEQL-MRXNPFEDSA-N 287.463 4.624 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@H](CC(C)C)C1)c1ccccc1 1265585392 HNHGUKSJMKWLSL-IEBWSBKVSA-N 299.458 4.631 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1cc(Cl)ccc1Cl 1349345083 GGAGGAVNAQXTKD-ZDUSSCGKSA-N 273.159 4.501 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(=O)CC)cc2)CCCCC1 1461586790 VOOCSQHZMRUZRC-UHFFFAOYSA-N 299.414 4.744 30 10 CJEE C#CCCCCCCNc1cccc(C(C)(F)F)c1 1462101156 CLEIBALWMLVMPE-UHFFFAOYSA-N 265.347 4.794 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(F)cc(OC(F)F)c1 1462523068 OAOIKBTVXSDURF-NSHDSACASA-N 287.325 4.974 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 1474576955 XBVDXIYCONKCJG-OGWHTMIXSA-N 271.448 4.588 30 10 CJEE C=CCn1ncc2ccc(NCCC3CCCCCC3)cc21 1474730634 WSZBJWWUZVXQKD-UHFFFAOYSA-N 297.446 4.995 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(OCCCC)c2)CC1 1517703463 PPZCDKNIIMNQEL-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C1CCC(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 1520603942 SXMZNEJZEUQUGZ-RBUKOAKNSA-N 297.442 4.575 30 10 CJEE C=CCC[C@H](NC(=O)[C@H](C)C(CC)CC)c1ccccc1 1536283967 YQKXEAHQLSOQJJ-QAPCUYQASA-N 287.447 4.882 30 10 CJEE C=CCCC[C@@H](NC(=O)CCC(C)(F)F)c1ccccc1 1536595053 SGTQQUMVTKMFBM-OAHLLOKOSA-N 295.373 4.636 30 10 CJEE C=CCCC[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 1537027085 QTQGUZMTBGNCSR-CQSZACIVSA-N 299.336 4.543 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H]2CCCC[C@H]2C)c1 1537410071 XBWSDFILXAHMFI-ZBFHGGJFSA-N 271.404 4.875 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc2cc(C)ccc2c1 1538114710 DTNRKNBRIPZVNL-UHFFFAOYSA-N 268.356 4.656 30 10 CJEE C=C[C@](C)(CC)C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1538737859 MAXRVEIGLQISHI-RVKKMQEKSA-N 279.468 4.557 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 1540751347 WUYOKIOBWVTGHM-OAHLLOKOSA-N 291.822 4.606 30 10 CJEE C#CC[C@H](Nc1nc2cccc(C)c2s1)c1ccccc1 1559143842 OGVJLHVGBUFOKG-HNNXBMFYSA-N 292.407 4.781 30 10 CJEE C=C[C@H](C(=O)N1CCC[C@H]1CC1CCCC1)c1ccccc1 1583181049 YHZWDLIHLWVYIA-OALUTQOASA-N 297.442 4.528 30 10 CJEE C=CCC1(C(=O)Nc2cccc3c(C)nccc23)CCCC1 1584847541 XXCSRVRANQWICY-UHFFFAOYSA-N 294.398 4.618 30 10 CJEE C=C(CC)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 1610957656 GSOIHGXFLRWSTE-SFHVURJKSA-N 285.431 4.781 30 10 CJEE C#Cc1cccc(N(Cc2cccs2)[C@H]2C=CCCC2)c1 1616145766 QPKKGDJGCHJWRP-KRWDZBQOSA-N 293.435 4.845 30 10 CJEE C=C1CC(C)(C(=O)Nc2cccc(Nc3ccccc3)c2)C1 1616190538 MMQHBHRXCVCXPD-UHFFFAOYSA-N 292.382 4.725 30 10 CJEE C=C(C)CCN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1616635858 GUHFFYOCGXRBGY-IBGZPJMESA-N 271.448 4.892 30 10 CJEE C=CCC1(NCc2ccc3cc(OC)ccc3c2)CCCC1 1621006335 FYQOYKAYJJCQIH-UHFFFAOYSA-N 295.426 4.827 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(COC(C)(C)C)cc1 1621909543 NCNLCXNXAKMVOK-UHFFFAOYSA-N 289.419 4.543 30 10 CJEE C=CCCC[C@@H](NC(=O)Cc1ccsc1)c1ccccc1 1625196447 DHHAISJAEMCDEP-QGZVFWFLSA-N 299.439 4.504 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(SC(F)F)cc1 1628444580 HWSNODCZISBWMW-UHFFFAOYSA-N 285.359 4.542 30 10 CJEE C=CC[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 1651686437 SVMDZQZYOOROBM-SECBINFHSA-N 298.333 4.705 30 10 CJEE C=CCCCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 1652495815 KZUMXNNYJIOKIN-UHFFFAOYSA-N 293.823 4.574 30 10 CJEE C=CCCCN(CC)Cc1ccc(F)c2ccccc12 1653212809 DNDFNVHQOQPAIC-UHFFFAOYSA-N 271.379 4.767 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@@H](CC=C)C2)CCCC1 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C[C@H]1CC[C@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)OC1 2173003752 YIOYQOPDDSTXLT-LSDHHAIUSA-N 277.452 4.938 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1CC2(CCCC2)CO1 2173634471 MEKLKINXNUPTNJ-YJBOKZPZSA-N 275.436 4.836 30 10 CJEE CCCCCCCCCCC[C@H](O)c1nccnc1C 2174456074 RJENFIAUTCYVPH-INIZCTEOSA-N 278.440 4.739 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](NCCC)C[C@@H]1OC 2176030363 YKDKQZTXMPOQRB-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE Cc1cccc(C#N)c1NCC1(C)CCC(C)(C)CC1 2176597562 UNMQMAIBHOCHEN-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CCCCCCCCCCC[C@H](N)C=C1CCOCC1 2176980301 CHGKFIGDLKZMTR-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=CCCCCOc1ccc(Cl)cc1CNCC(C)C 2179683254 RZNBNFCCWAXSBM-UHFFFAOYSA-N 295.854 4.821 30 10 CJEE CC1(C)CC[C@]1(C#N)Cc1csc(-c2ccccc2)n1 2188515331 CDCUMTYAUDIEBM-QGZVFWFLSA-N 282.412 4.683 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCOCC1(C)C 2189779670 ZXNWYJGAKCVMTG-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@H]1COC)NCC 2190114619 QLMXPQFPRRMZKV-KZNAEPCWSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(O)CCC=C(C)C 2190615421 OBUAKCCTNPWTFD-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@]1(C)C[C@H]1C)NCC 2190956144 VXRQIJCUQJLIQO-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CC1(C)CC[C@@](C)(N=C2NC3(CCCCC3)CCS2)C1 2193335373 UDPFGBAIXXFZPF-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(OC)c(Cl)c1 2196173179 ZSCOLSXQVWDUQZ-INIZCTEOSA-N 293.838 4.583 30 10 CJEE CC#CCCCC[C@@H]1C[C@H](NCCC)CC2(CCC2)C1 2196173996 JHVVNJQJPLIYTA-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE C#CC[C@@H](C[C@H](O)c1cc2cc(F)ccc2s1)C1CC1 2196719056 LANLPKVLMPSZHM-WFASDCNBSA-N 288.387 4.513 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1ccccc1CC(C)C 2196838233 XLHNXNDESIXRMW-APWZRJJASA-N 271.448 4.585 30 10 CJEE CCCCCCCCCc1cc([C@@H]2CC[C@H](N)C2)on1 2196953387 KMUXTIIOSPTUGU-CABCVRRESA-N 278.440 4.563 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1C[C@@H]1C1CCCCC1 2200320922 KJQAULKPDHIKSJ-MKXGPGLRSA-N 275.480 4.927 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1CCC12CCC2 2203784905 IFALSPQMLDUNPX-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C1CCCC1 2204048383 UPOZNRQJPFYXBT-BEFAXECRSA-N 269.432 4.653 30 10 CJEE C=C(CN[C@H](C(F)F)C1CCCCC1)c1ccccc1 2204082835 RWMIMHLYDADPJH-INIZCTEOSA-N 279.374 4.503 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)cc(OCC)c1 2204200953 VTYBUMDGRLNUTM-QGZVFWFLSA-N 281.415 4.975 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CO[C@H](C)C1)NCCC 2206885856 OEQHDIZPFVKCEF-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@H](Cc1cc(F)ccc1F)NC 2206891239 JTFKNFIENDXIFS-INIZCTEOSA-N 281.390 4.622 30 10 CJEE C=CCCCCCCCCC(=O)C[C@@H]1CCCN(C)C1 2207373485 KXSBJGLRUHYXDC-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)C1(C)CC=CC1 2207377866 PMFAJMQYWQMIAR-KRWDZBQOSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@](C)(O)CCC1CC1 2207428391 XPRNEMYDUCIUDW-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@](C)(O)CC1CCC1 2207439832 XIDKPAYHXFBKAR-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](CN)N1CC[C@H]1CC(C)(C)C 2207451048 AXXIVMYAWJTCPJ-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCC[C@H](NC)P(C)(C)=O 2215744198 PIDMCFLPIVBUDV-CQSZACIVSA-N 261.390 4.685 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(C)c(Br)cn1 2216922885 KTHOUGUZQCTXAQ-GFCCVEGCSA-N 298.224 4.666 30 10 CJEE CC1(COC[C@@H](CS)C(C)(C)C)CC2(CCC2)C1 2221004416 FRLQGJQHGCFJSH-ZDUSSCGKSA-N 270.482 4.566 30 10 CJEE C=CCCCCCCCCO[C@H](CC)[C@@H](C)NCC 2225678660 IPPFXKOIYDGUDB-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE O=CC1(CCCCCCC2CC2)C[C@@H]2CC[C@H](C1)S2 2225789212 PZJIUNQPPAIHRT-SJPCQFCGSA-N 280.477 4.980 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@](C)(CC)OC 2227271726 LEQXOILKDLADNO-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)Cc1cccc(Cl)c1Cl 2227503492 YACAVPLCKVPYSR-ZDUSSCGKSA-N 298.257 4.564 30 10 CJEE CCCC#CC[C@@H](NCCC)c1sc(C)c(C)c1C 2228579391 KDRYNNRNZAANLY-MRXNPFEDSA-N 277.477 4.908 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@]2(C)CC=C(C)CC2)C1 2229023836 ANQBOZHMUNRBFC-ZWKOTPCHSA-N 261.453 4.847 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@@H](C)CNC(C)C 2230991872 HBVMFHKNCSZNTD-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CCC)CNC(C)(C)C 2231020155 SOVZOHRSWITTIM-CVEARBPZSA-N 269.473 4.695 30 10 CJEE CCCCCCCC[C@H](N)C#Cc1cccc(Cl)c1 2231102563 FTGRJHWGGZJNHX-KRWDZBQOSA-N 277.839 4.769 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)CC12CCC(CC1)CC2 2231491101 LNZWDZRWMDMCNF-NALMEZQBSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)[C@H](C)CC 2231847535 SNNAJDDSKXAUTA-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1CO[C@H](C)C1 2231946201 NSCKCQXIJRPDKL-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccccc1C1CC1 2233783570 WEMDNPPTIJFTNV-SFHVURJKSA-N 269.432 4.654 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H](NC)[C@@H]1CC 2234041217 ISFJLPFWKOFHRV-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCN[C@H]1CCOc2ccccc21 2235522487 UZFGVYDUGCDOKG-KRWDZBQOSA-N 273.420 4.626 30 10 CJEE C=CCCCCCCCNC[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2235523547 HBSINYIISMVCPB-BZUAXINKSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCCC(=O)C(C)(C)c1ccncc1 2235533446 TUDLUWSEWAQSPA-UHFFFAOYSA-N 273.420 4.845 30 10 CJEE C=CCCCCCCCC(=O)CC[C@H]1CCCC[C@@H]1N 2235534400 HFTNDKLNPNJGFU-AEFFLSMTSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCN1CCO[C@](C)(C(C)(C)C)C1 2235539495 PJTWMIHVTSFNQY-SFHVURJKSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(COC)cc1 2235542584 UIHRJWULXYKDSO-SFHVURJKSA-N 275.436 4.750 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CCC[C@@H](C(C)(C)C)C1 2238152680 YWTXOIMDYPMLEI-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCCCC(F)F)NC 2238417013 UZUUFPOAXVRIBQ-CABCVRRESA-N 293.442 4.511 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccc(CNC(C)C)s1 2239483663 SHGXJIPTMRFGLQ-HNNXBMFYSA-N 295.492 4.898 30 10 CJEE CCCCCCCCCCOCc1cc(NC)ccn1 2239488894 DEQMZZPQGJKZON-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CCCNCC1 2239548798 MQCBZEHTJAYGAI-GOSISDBHSA-N 283.500 4.924 30 10 CJEE CCCc1ccc(C#CC(=O)c2cccc(Cl)c2)cc1 2239727361 RGGSYWCHCATBSD-UHFFFAOYSA-N 282.770 4.527 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@]1(C)C(C)C 2240577544 ZYGNIVJRFCARCP-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)C#Cc1ccc(C)cc1 2240618894 YJCSVZGJPVJJDO-LJQANCHMSA-N 272.432 4.848 30 10 CJEE C=CCC[C@H](NCCC)[C@@](C)(O)CCCCCCCC 2240640218 OAZRHWYZUZTXHI-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CC(C)(C)[C@H](CS)CSC1CC2(CCC2)C1 2245183220 YCZJNVIRIQRBMP-LLVKDONJSA-N 258.496 4.644 30 10 CJEE CCCC[C@@](C)(C#N)Cc1c(F)cccc1Br 2251395602 QJXZOHLDDKUBOZ-CQSZACIVSA-N 298.199 4.851 30 10 CJEE CSCc1cccc(CC=CC#CC(C)(C)C)c1 2256696661 OATIUZWDMSPVPS-UHFFFAOYSA-N 258.430 4.698 30 10 CJEE C=CCCSc1c(Cl)cccc1CNC(C)(C)C 2258977065 XMRVPXKFMONKMC-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCC[C@@H]1CC(C)(C)CC[C@@H]1C(=O)O 2259187430 LLNYCIOSWZVLEQ-KGLIPLIRSA-N 252.398 4.650 30 10 CJEE C=C(C)CCCC[C@@H]1CCC[C@H](C)[C@H]1NCCC 2259212214 OAVPSFDODXJPIE-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCC1(C(=O)OCC)CCCCC1 2259244782 OUWIOYHBLJVXPI-UHFFFAOYSA-N 252.398 4.637 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C#CCNC1CCCCC1 2264365761 YWMLGLMCZMGTHD-UHFFFAOYSA-N 296.241 4.576 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc2cccnc2s1 2265472121 SOAWWWTUGDXSOZ-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE C=CCCCCCC[C@H](O)[C@H]1CC(F)(F)C12CCC2 2266136199 ACLNEFDTMILEAR-KGLIPLIRSA-N 272.379 4.699 30 10 CJEE N#C[C@]1(C[C@@H]2CC(F)(F)C23CCC3)CCC12CCC2 2266264618 RDWQEHIVWCGFGN-TZMCWYRMSA-N 265.347 4.676 30 10 CJEE CCCCCCCCCOc1ccc(C=O)c(C)c1 2267792941 YZOQGXMNCHWREM-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1CCCC(C)(C)C1 2268743517 UJVGPZWKFVPAQL-JKSUJKDBSA-N 261.453 4.526 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@]1(C#N)CCOCC1(C)C 2269480642 KCDPGRMONVTZGS-BFYDXBDKSA-N 263.425 4.549 30 10 CJEE C=C(C)CCCC[C@@](N)(CC)c1ccc(CC)cc1 2271782964 JTCPKEPTCXTDIV-SFHVURJKSA-N 259.437 4.950 30 10 CJEE C=C(C)CCCCC(=O)c1c(C(C)C)nn(C)c1Cl 2271839223 OIUHWMSYPCSJLU-UHFFFAOYSA-N 282.815 4.516 30 10 CJEE C=CC(C)(C)CCNCc1cccc(C(C)(C)C)c1 2274433997 ACJRQWBVFRASRQ-UHFFFAOYSA-N 259.437 4.676 30 10 CJEE CN(CCCCCCCS)C1CCC(C2CC2)CC1 2277505069 DZEVTICDSSDWHS-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CN(CC[C@H]1CCCCC12CC2)C[C@@H](CS)C1CCC1 2279561463 SETCZJLEFUZHHD-DLBZAZTESA-N 295.536 4.625 30 10 CJEE CCC[C@@]1(C)CSC(=NCC[C@@H]2CCCCC23CC3)N1 2279726343 NXPZEKDMIFINSJ-HOCLYGCPSA-N 294.508 4.598 30 10 CJEE C=CCCCCCCC[C@@H](Cc1csnc1C)NCC 2280125795 WARZAJWAEYTLKR-KRWDZBQOSA-N 294.508 4.889 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(F)ccc2Cl)C1 2283356456 SHUMEJCCPDUOJT-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C[C@@H]1CCCCC12CC2 2284115528 KNSDKKHAZRWKCK-INIZCTEOSA-N 272.432 4.912 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C12CCC(CC1)C2(C)C 2284166366 IDRLXSIKQDWQPX-WUJZJPHMSA-N 273.464 4.526 30 10 CJEE C=C1CC(COc2cc(C)c(Cl)cc2[C@H](C)NCC)C1 2286468816 VORFCQFRGBURBF-ZDUSSCGKSA-N 293.838 4.664 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C)nc2ccccc12 2287390152 MRBAEPBURUOFRE-QGZVFWFLSA-N 268.404 4.680 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)c1cc(C)cs1 2287390461 PTJRTPGWGKQBOF-WBVHZDCISA-N 295.492 4.595 30 10 CJEE C=C(C)CCCCOc1cc(C)ccc1[C@H](C)NCC 2287408956 OKJUSKYORZBJOT-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1NC[C@H](C2CCC2)S1 2287884377 JQJRNWPIABVBDO-GDBMZVCRSA-N 296.524 4.700 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C1(C)CCCCCCC1 2289708094 ABGIDSOZCVTCTO-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CC(C)(C)CC1CC(CNc2cc(F)cc(C#N)c2)C1 2289940130 XAVSIBQAGCQDOM-UHFFFAOYSA-N 274.383 4.572 30 10 CJEE CCCCCCCCC[C@H](OCCC(=O)O)[C@@H]1C[C@H]1C 2290580761 PBZOAEIWMKXKDT-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCC12CCC2 2290877824 SFGCCIGHRKECAD-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1csc(C)c1C 2291421752 FPSIELLMZOGEAQ-OAHLLOKOSA-N 296.432 4.644 30 10 CJEE CCCCCCC[C@H](CCCC1(C)CC1)OCC(=O)O 2292128495 RFMOMOBTOQEANC-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=C1C[C@H]1CC1(OCCCN)CCCCCCCCC1 2293126741 NTOMCDUOWYHNFP-KRWDZBQOSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)OCCCN 2293966757 FXTFIXDELKFIBI-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@](C)(Cc1ccsc1)OCCCN 2294032614 LMESQNLRTNWHSZ-QGZVFWFLSA-N 295.492 4.551 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)c1ccoc1 2294286646 ZEIVVMBSWXGLDT-QGZVFWFLSA-N 281.440 4.611 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc3cccc(Cl)c3n2)CC1 2295012817 AQMVLJLTIRGLOG-NSHDSACASA-N 285.774 4.817 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)CCC1CCC1 2295202548 HUJXSZHHXNLZTK-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@@H](C)CCC[C@H]1CN 2295536774 RRKQQVBBANFKIA-BZSNNMDCSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@@]1(C)COC 2295591066 ALQSJWVNEGPSMN-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CC1(CC)CC1 2295682867 VDCFLTNFEXRTSW-DLBZAZTESA-N 283.500 4.786 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@@](C#N)(NC)[C@H]1CC 2295764250 QUKXLWKIHVDDHB-NXOAAHMSSA-N 296.524 4.606 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H](C)SC 2299421150 SUTFAAAEWACLLP-HUUCEWRRSA-N 257.487 4.633 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cc1Cl 2300182233 CUXANAJOGSFOGF-SKDRFNHKSA-N 271.191 4.545 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cccc(Cl)c1Cl 2301013187 OFMWCVWSPLCLSE-CQSZACIVSA-N 270.203 4.762 30 10 CJEE CC(C)(C)[C@](C)(CS)COC1CCCCCC1 2307100116 HEOIMEWCUNMKAE-HNNXBMFYSA-N 258.471 4.708 30 10 CJEE CC(C)C[C@H](CS)COc1c(Cl)cccc1Cl 2308060103 MGLXVGTWMWVBIR-JTQLQIEISA-N 293.259 4.964 30 10 CJEE CCCCCCCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2308400559 MUUXTQWVHZTNSZ-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@]12CCC[C@@H]1CC2 2313305307 QNCFYHOBCFFARY-BRWVUGGUSA-N 250.426 4.844 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cscc1C(F)F 2316743382 FYIHDULAVBEGCA-CYBMUJFWSA-N 271.376 4.715 30 10 CJEE C=CCC(CC=C)[C@@](O)(CC)CC1CCCCC1 2316752515 ORBAIWGTGOSBOL-QGZVFWFLSA-N 250.426 4.866 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]1CCC)NCC 2321097525 BTIYIEOXYPGTCI-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)cc1Cl 2321117062 MNFPNFVAKRJZDC-HZPDHXFCSA-N 265.828 4.901 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321552731 OHAZTBOQZQZYKG-NWDGAFQWSA-N 262.315 4.505 30 10 CJEE C=CC[C@@H](C(=O)O)[C@H](C)c1ccc(Cl)c(C)c1Cl 2327984620 QQTAOORGWDEJKZ-LDYMZIIASA-N 287.186 4.682 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@]12C[C@H]1[C@H](C)C2 2333706726 VWQSOBRWUIJZBM-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)Sc1cccc(C)c1CN[C@H](C)CC 2335229613 OTLDKOGNDMQBIX-HUUCEWRRSA-N 277.477 4.940 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H](C)P(C)(C)=O)NCCC 2338733980 APYZLSMYMRZEQK-GOEBONIOSA-N 285.412 4.524 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CC(=C2CC2)C1 2338740948 JZIDVDQPUXFXBV-GOSISDBHSA-N 259.437 4.623 30 10 CJEE C=CCC(CC=C)[C@@](N)(c1ccc(Cl)cc1)C1CC1 2338745184 UMZUUHFRXLEEGC-KRWDZBQOSA-N 275.823 4.672 30 10 CJEE C=CC[C@@H](CNCCC)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338994663 RHDMGEGYCCFDPO-MHORFTMASA-N 263.469 4.785 30 10 CJEE CC(C)(C)[C@H](CS)COC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339240688 PEIQRFYJTWPRJA-WCVJEAGWSA-N 282.493 4.588 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)CCC1=CCCCC1 2340321336 UMBZDNJOZBSJMC-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE CCCCCCC[C@](C)(O)CC1(C(C)(C)OC)CC1 2343759850 UVFZFIXTYOXYFR-INIZCTEOSA-N 270.457 4.693 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cccc(C2CCC2)c1 2343780275 BQAUEJIGKRAESZ-GOSISDBHSA-N 255.405 4.722 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1cccc(C(C)C)c1 2343796817 DYRWPRXVZQBRHB-QGZVFWFLSA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(F)cc1C 2344396041 LPAQPMRXLSHESZ-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE CSc1cc(NC2CCC(C)(C)CC2)ccc1C#N 2353834246 LWMDWGVZVPLFBF-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@H]1C(C)(C)C 2359392051 YWBTXVWMIUGFEA-ZACQAIPSSA-N 275.480 4.643 30 10 CJEE CC[C@H](C)c1ccccc1Oc1ccc(C#N)cc1 21019418 VMRNWJCKDCEGHD-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 37302699 DOIPUEYNIIUQMP-DYVFJYSZSA-N 284.428 4.668 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1 37937261 MZQULNKFXNKMHZ-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE N#C[C@H](CCOc1cccc(Cl)c1)c1cccc(F)c1 57688870 HEIAALJICPBUST-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCOc2cccc(C)c2C)c1 57695449 ZZKHIGZPQWSWMN-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2cccc(C#N)c2)cc1 57756961 GISWMQNXSNYJEI-IBGZPJMESA-N 274.367 4.532 30 10 CJEE CCCCCCCOC[C@@H](N)c1ccc2ccccc2c1 59083392 SIJFCVQUMUOAEL-LJQANCHMSA-N 285.431 4.827 30 10 CJEE CCc1sc(-c2ccc(Cl)cc2)cc1CC#N 77096565 JCWIGZJWESQQTQ-UHFFFAOYSA-N 261.777 4.697 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)s2)C1 83776178 MSNBPGPEYHIZNI-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C=C(CC)CSc1cccc(CNC(C)(C)C)c1 90872688 IRLSDBRPTCRNSZ-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE C[C@H]1CCC[C@@H](OCC2(CS)CCCCCC2)C1 94584052 MIJVQLDNWYMFIH-LSDHHAIUSA-N 270.482 4.852 30 10 CJEE CC(C)C1CCC(C#N)(Cc2cc(F)cc(F)c2)CC1 97920663 OHDAVBVNCMKCNV-UHFFFAOYSA-N 277.358 4.863 30 10 CJEE C#C[C@@H](C)Cc1cc(C(C)(C)C)ccc1OCCC 107602202 SBWKANLMLJVEBA-CQSZACIVSA-N 258.405 4.585 30 10 CJEE CCCCCCCCOc1cccc(CNC(C)(C)C)n1 110157841 BJXYTJOJYYHGOJ-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE CCCCCCCCCCn1ccnc1CCC 112309299 HEUPWMBBILZPGI-UHFFFAOYSA-N 250.430 4.976 30 10 CJEE CCCCCCC[C@]1(CN)CCCc2ccccc21 113025557 ONCGAIUKILHONJ-GOSISDBHSA-N 259.437 4.580 30 10 CJEE CCCCCCCCCC(=O)[C@H](C#N)c1nc(C)cs1 122308594 BWWFORUBYDUXHI-AWEZNQCLSA-N 292.448 4.769 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1OCC[C@H]1C 122733625 PWVUDASRZHLSLA-SQNIBIBYSA-N 298.515 4.554 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130475168 KCHSWHQNDMPCSK-WMZOPIPTSA-N 289.463 4.962 30 10 CJEE CCCCCCCCC[C@H](N)c1c(OC)cnn1C(C)C 130571434 OVPDJEDYPDKQLO-HNNXBMFYSA-N 295.471 4.613 30 10 CJEE CCCCCCC[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] 132457513 WBJJNCJIGJBBIP-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE CCCCCCCCCCN1CCC(NCC2CC2)CC1 133666913 HCILKHXFUQIOLH-UHFFFAOYSA-N 294.527 4.591 30 10 CJEE Cc1ccc(C)c(Sc2c(F)cc(C#N)cc2F)c1 134029217 BMAJWWGIDOLHSH-UHFFFAOYSA-N 275.323 4.605 30 10 CJEE CC(C)[C@@H](Nc1ccc(C#N)c(F)c1)c1cccs1 135245333 YVQBQLKXVCCRCO-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(N(C)C)c1 135350012 SIUISQCAFZIKKG-SFHVURJKSA-N 277.452 4.927 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCC[C@@H](O)C1 149522354 CASHPESAJGFGCQ-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(C)c1F 158106017 VBOFYDYKWSJBON-HNNXBMFYSA-N 251.389 4.755 30 10 CJEE CCCCCCCC[C@H](NC)C1(OC)CCCCC1 159878998 YIBHJJZQMOYSAQ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](N)CCc1ccsc1 165392667 UDKNFFDDEOAFFJ-HNNXBMFYSA-N 253.455 4.759 30 10 CJEE C[C@@H](Nc1ccsc1Cl)c1ccc(C#N)s1 188754723 OSNWTLPJFQCMBU-SSDOTTSWSA-N 268.794 4.508 30 10 CJEE C=CCCCCCCCCB1OC(C)(C)C(C)(C)O1 199939857 VYOCSBYREMASHW-UHFFFAOYSA-N 266.234 4.995 30 10 CJEE C=CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccccc1 221369219 CWMPLJWGIBSZDI-HNNXBMFYSA-N 289.419 4.951 30 10 CJEE CCCC[C@@H](CCC)NCc1ccc(C#N)cc1Cl 226037184 QPBFAQAXHGJHKT-OAHLLOKOSA-N 278.827 4.660 30 10 CJEE C=CCC[C@@H](C)NC1CCC(c2ccccc2)CC1 228818564 YBKMMDNCGOWKPV-FAEJEUNOSA-N 257.421 4.657 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1OCC[C@@H]1C 228989727 VHVXRTICXGRUCR-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2ccccc2s1 229740857 WFSDZBOROYTZEH-CQSZACIVSA-N 259.418 4.908 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](CN)C(C)C 230955850 GLMVMWGDRMRSBH-ZWKOTPCHSA-N 285.516 4.889 30 10 CJEE CC(C)c1ccc(CC(=O)C2=CC[C@H](C)CC2)cc1 232756632 MQCMQUKNGBGTGJ-AWEZNQCLSA-N 256.389 4.668 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1cccc(Cl)c1N 232947948 GIJQBIDLMCURQX-CYBMUJFWSA-N 297.826 4.841 30 10 CJEE CC[C@](C#N)(CCCSc1ccc(C(C)C)cc1)NC 234170334 IOJZLYSTCFDYNQ-QGZVFWFLSA-N 290.476 4.574 30 10 CJEE Cc1ccc(CNc2ccc(C#N)cc2Cl)c(Cl)c1 235880952 DFAHEGFHGYUHMC-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@H]1CC 250813513 IIRVZMJKEGOWBI-IPMKNSEASA-N 296.543 4.836 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1N 252724396 XEKRXZUMZDIIGI-ATZDWAIDSA-N 289.463 4.939 30 10 CJEE Cc1ccc(C(C)C)cc1NC1CCC(C#N)CC1 258842474 QJEXSBLWNXKGBB-UHFFFAOYSA-N 256.393 4.613 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CN 300257408 ODBQBJLARIJZCR-ZACQAIPSSA-N 251.458 4.770 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](C)c1ccccc1 312248528 UWGZOWUQILBFMO-FUHWJXTLSA-N 271.448 4.598 30 10 CJEE Cc1cc(OC[C@@H]2CCC[C@H](C)C2)c(C)c(C)c1C#N 312526292 JFPCZRCQXPQQMF-BLLLJJGKSA-N 271.404 4.689 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(F)c(Cl)c1 313410973 OTPUCHHIBAIQFV-NSHDSACASA-N 288.753 4.718 30 10 CJEE CCCC[C@@H](CC)[C@@H](C#Cc1ccccc1)NCCC 315029967 YDJOXYRSBLGGJT-RTBURBONSA-N 271.448 4.623 30 10 CJEE CC1CCC2(CC1)CS/C(=N/CC(C)(C)C(C)(C)C)N2 382000251 IMWQRVORNIWKPY-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1Cc2ccccc2S1 384912297 YQYZJDZFWBKKAY-UNEWFSDZSA-N 271.429 4.814 30 10 CJEE C=CC(C)(C)COCc1cc2ccccc2nc1Cl 387058357 WPRLVQSOFJLKHX-UHFFFAOYSA-N 275.779 4.617 30 10 CJEE CCCCCCCC(=O)c1cc(C)c(C)cc1F 395802270 APOLBVFFNNONPO-UHFFFAOYSA-N 250.357 4.986 30 10 CJEE CCCCCCCCC[C@H](O)c1cnc(C)cc1C 397439265 GKBICAIBWSOCIS-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE Cc1cc(Cl)c(NC[C@H](C#N)C(C)C)cc1Cl 397497641 CMYLAULFLKCPGS-JTQLQIEISA-N 271.191 4.510 30 10 CJEE CSc1cccc(NCCC(C2CC2)C2CC2)c1C#N 400693674 ISHCHNWWFSJMQU-UHFFFAOYSA-N 286.444 4.518 30 10 CJEE CCCCCCCCCC(=O)CCC[C@@H]1CCOC1 400921683 JNUPFDAGDWBNNK-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)c1cc(Cl)cc(Cl)c1 466422935 WNNJSFUVSCQZAF-JTQLQIEISA-N 286.202 4.559 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H]1CC(C)(C)C)c1ccccc1 535339677 GNBKXNCBAVHAMM-AEFFLSMTSA-N 299.458 4.774 30 10 CJEE Cc1cc(C(=O)/C=C\c2ccccc2)cc(C)c1Cl 575357575 LTTUAQZPHQHPJZ-HJWRWDBZSA-N 270.759 4.853 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CCC[C@H](O)C2)C1 688336305 BRECGHWQLKOMPH-CABCVRRESA-N 277.452 4.674 30 10 CJEE CCc1ccc(CC)c(N=C2N[C@@H](C(C)(C)C)CS2)c1 689610384 HTMOXXVNWZRTBN-OAHLLOKOSA-N 290.476 4.550 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)CC2CCCCC2)c1 689710787 HPYHXFLWEHQQFG-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE C[C@@H](Nc1cccc(Cl)c1C#N)C1CCC(F)(F)CC1 690830340 MWVGCOVMVYIXRM-SNVBAGLBSA-N 298.764 4.838 30 10 CJEE CCc1ccc(N=C2N[C@@H](CC)[C@H](CC)S2)cc1Cl 691292446 MLGHJUMRIBCYFK-KBPBESRZSA-N 296.867 4.784 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)c(C)cc1C 692212717 BFRLJTDMPYWHLC-IEBWSBKVSA-N 271.448 4.836 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(Br)cc1C#N 695157580 VBRXEDNLPPQISX-JTQLQIEISA-N 295.224 4.557 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@H](C(C)C)C1 704834369 ITTCQNCGNDOXDM-DLBZAZTESA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@H](CCC)C1 704904938 SINZSYZDNHVIRT-SJORKVTESA-N 269.473 4.804 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@@H](CC(C)(C)C)CS1 710675058 RPAMVLRCIYSXIC-HIFRSBDPSA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714466955 RFGZKQKMWWDQOH-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC1(N)CCC(C)(N(C)C)CC1 715209876 XVBXUTSHZJTMAQ-UHFFFAOYSA-N 282.516 4.719 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCC[C@@H]1C 719636167 PDPHODCZTLABIR-XYJFISCASA-N 271.404 4.559 30 10 CJEE CC(=NNc1ccc(F)c(F)c1F)c1cc(C)sc1C 814944934 DBDQDVDBHRKYBN-UHFFFAOYSA-N 298.333 4.618 30 10 CJEE CC/C(=N\OCCOc1ccc(C)cc1)c1ccc(C)cc1 821217218 CQXINYRIGOANKO-FMQUCBEESA-N 297.398 4.513 30 10 CJEE CCCCOc1ccc(C=NNc2ccccc2C)cc1 1084378553 JHJKTAMGPDNVCW-UHFFFAOYSA-N 282.387 4.620 30 10 CJEE C=CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c1ccccc1 1124819844 UDWKEDFAHZVDAW-LSDHHAIUSA-N 273.420 4.524 30 10 CJEE C=CCC1(C(=O)Nc2cccc(OCCC)c2)CCCC1 1124934587 INYALHAYIMQZNV-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CC(C)(C)C(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 1127277498 CRLDLFKORONKFY-SNVBAGLBSA-N 286.293 4.522 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1205860275 NRAJTFXGHHROFQ-BDJLRTHQSA-N 281.802 4.875 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1[C@H](C)CCC 1254022140 PXKUDBCGIMKHEQ-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(SCC)cc1 1265047136 CDCQEJPWHZEOGB-CYBMUJFWSA-N 291.460 4.578 30 10 CJEE C=CCCCCCN1CCC[C@](F)(c2ccccc2)C1 1308015642 ORFZPYDURXVMDA-GOSISDBHSA-N 275.411 4.694 30 10 CJEE C=CC[C@@H]1N(C[C@H]2C[C@H]2c2ccccc2)CCCC1(C)C 1308724914 QABCJQFRSYFPKW-QYZOEREBSA-N 283.459 4.857 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CC(C)(C)CC[C@@H]3C)cc21 1308959554 RJKODZHVWOXPPP-YOEHRIQHSA-N 297.446 4.849 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 1351414203 UYDJPUMHQTUGII-UHFFFAOYSA-N 284.186 4.678 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@@H](CC(C)C)c1ccccc1C 1360166606 FGIMUSOFIZBKLV-HKUYNNGSSA-N 287.447 4.801 30 10 CJEE C=CC[C@H](C(=O)N[C@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1436675636 BRRFIKKOWZQUBN-KSZLIROESA-N 299.458 4.677 30 10 CJEE CCC[C@@H](Nc1ncc(Cl)c(C)c1C#N)C(C)(C)C 1458379421 CYPJOWWWLXAYDK-CYBMUJFWSA-N 279.815 4.542 30 10 CJEE C=CCN(Cc1ccc2cc[nH]c2c1)CC1CCCCC1 1473163707 OOKKOVGTBLIPAB-UHFFFAOYSA-N 282.431 4.736 30 10 CJEE C=CCCCCCCCCN[C@@H]1CC[C@H]2COCC[C@H]2C1 1474165953 MXBNJAVZIAIDIL-GBESFXJTSA-N 293.495 4.698 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CC=C)Cc1ccccc1 1474576344 MSUXYSLMZKEKOP-ROUUACIJSA-N 257.421 4.508 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1 1527769591 RHIDIJTZRKHXJH-BVIKNXMNSA-N 286.415 4.714 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(CCCCC)cc1 1529505440 MGEXTFRWAFFPLO-GOSISDBHSA-N 273.420 4.960 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1(C)C 1530840131 QNBYSATWOAZNRM-HZMVEIRTSA-N 291.479 4.652 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CCCCC)C(C)(C)C 1531212483 TZGONHLXFRLVNC-CQSZACIVSA-N 267.457 4.700 30 10 CJEE C=CCC1(NC(=O)C[C@H](CC)c2ccccc2)CCCC1 1532276175 BREXLOUVDTUAHQ-INIZCTEOSA-N 285.431 4.575 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H](C)c1ccco1)c1ccccc1 1536598526 AERPFDOVSOPCSA-WBVHZDCISA-N 297.398 4.597 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](C)C(CC)CC)CCCC1(C)C 1542579855 SFRZBGGPEWWWTJ-GOEBONIOSA-N 279.468 4.652 30 10 CJEE C=CCCC[C@H](Nc1ncc(C#N)cc1F)c1ccccc1 1559268542 JROODLKNHJYXGQ-KRWDZBQOSA-N 295.361 4.602 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(C)c1C 1562162757 YXRYRLKJTDOFDI-UHFFFAOYSA-N 274.408 4.561 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(Oc2ccccc2)o1 1588035793 KXDIJYUZGQQEFS-UHFFFAOYSA-N 299.370 4.547 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCCC12CC2 1596114577 PKYUOVXRPZOBNT-INIZCTEOSA-N 277.452 4.600 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1F 1614730782 HLPKYMKYLINXKU-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C#CCCN(CCCCc1ccccc1)c1ccccc1 1618445693 BRNBPMQYVWMNHO-UHFFFAOYSA-N 277.411 4.539 30 10 CJEE C=CCN(CCCCC(C)C)CC1CCCCC1 1621193912 YHQGRNDAZZNCGZ-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C#CCCCCCCN1CCCSc2ccc(F)cc21 1621370422 UVCNLDXQXDFNLD-UHFFFAOYSA-N 291.435 4.712 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(-c2ccccc2)cnc1C 1637974064 DPDQCYVBTYJOIZ-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CCCC[C@@H](NCc1cccc(OC)c1)c1ccccc1 1644332943 UJFSEZDMYLICCG-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OC)c2ccccc12 1652920427 BOAWSTKRUXOWOT-ZDUSSCGKSA-N 255.361 4.615 30 10 CJEE C=C(C)CCN1CCCSc2ccc(Cl)cc21 1653651891 JBAPDPWESJOILS-UHFFFAOYSA-N 267.825 4.608 30 10 CJEE C=CCCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1657957525 VDQMHAQXOIFQCE-VBNZEHGJSA-N 263.812 4.593 30 10 CJEE C=C(C)CN(CCSC(C)(C)C)Cc1ccccc1 1658520998 WFKQXPMUKLUPTD-UHFFFAOYSA-N 277.477 4.596 30 10 CJEE C#Cc1ccc(NCc2cccc3ccoc23)c(Cl)c1 1658694311 AOWDSTLDSFFHSC-UHFFFAOYSA-N 281.742 4.680 30 10 CJEE CCCCCCCCCN1CCC2(CCCC2=O)CC1 1659417581 QNPAMDVRFBBCFW-UHFFFAOYSA-N 279.468 4.572 30 10 CJEE C=CCC[C@H](CCC)NCCC1CC(OC(C)(C)C)C1 1659443274 PDRZWEJEEUDNLN-CGZBRXJRSA-N 281.484 4.695 30 10 CJEE C=CCCCCC[C@@H](C)NCc1noc2cc(F)ccc12 1660558297 GKKPJVOWZZLPKS-CYBMUJFWSA-N 290.382 4.582 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(N(CC)CC)cc1 1663025732 TZZKGFDGYWLUTG-UHFFFAOYSA-N 288.479 4.615 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)CC(C)(C)C1 1664987314 LDHOPLWKNYAADP-UHOSZYNNSA-N 285.475 4.978 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H](CC(C)C)C(C)C 1879646851 IVMIZMBQDKBDCN-MSOLQXFVSA-N 265.485 4.867 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@@]2(CC[C@H](C)C2)CS1 1880870391 FKDTXBQIKGKFQI-OFQRWUPVSA-N 282.497 4.597 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H]1CCCC(F)(F)C1 1882665846 MBYBHVLFHKDTSC-INIZCTEOSA-N 279.374 4.643 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 1883427506 FPDHEQVRBLMBCQ-XDNAFOTISA-N 265.485 4.961 30 10 CJEE C=CCCCCCN(C)[C@H]1CCC(F)(F)CC1(C)C 1884237530 LBDOJYCAHATTIY-AWEZNQCLSA-N 273.411 4.879 30 10 CJEE CC#CCCCC[C@]1(O)CCCCC12CCCCC2 1885235721 IADJIUWRNURKKZ-SFHVURJKSA-N 262.437 4.826 30 10 CJEE C=C(C(=O)C1(C)CCC2(CC2)CC1)c1ccccc1 1888719008 NNADMNSCGSTSAV-UHFFFAOYSA-N 254.373 4.629 30 10 CJEE Cc1ccc(N[C@@H](c2cccs2)C(C)C)cc1C#N 1909665588 NODBKFKMGLGXBZ-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE CC(C)(C)C#CC[C@@H]1CCCCCCCC[C@H]1O 1913402276 DALVSJNZDMVFKL-JKSUJKDBSA-N 250.426 4.538 30 10 CJEE N#Cc1cnc(Nc2cc(Cl)ccc2Cl)c(Cl)c1 1917228746 IQGYTWBCPULOSK-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCC[C@H]1CCCC12CNC2 1918304759 FVVSZAWMRJHISW-INIZCTEOSA-N 251.458 4.907 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1cc(F)cc(Cl)c1 1918505367 QAJUQHZFSVXOCB-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE C=CCOc1ccc([C@H](O)CCC2CCCCC2)cc1 1920021760 IXSCEUFJHXDYCS-GOSISDBHSA-N 274.404 4.645 30 10 CJEE N#C[C@@]1(CCCOCc2ccccc2)CCCC12CCC2 1921637394 WFUZUWYJSITWQW-IBGZPJMESA-N 283.415 4.848 30 10 CJEE C=C([C@H](NCCC)C1C[C@H](C)C[C@@H](C)C1)[Si](C)(C)C 1922989781 PXZFQVKMAXLZGK-CPUCHLNUSA-N 281.560 4.861 30 10 CJEE C=C1C[C@H]2CC(NC3C[C@H]4CCC[C@H](C3)C4)C[C@@H](C1)C2 1923470862 GYTKFVMKOOTWCK-VPQNOXPISA-N 273.464 4.680 30 10 CJEE C#C[C@@H](C)C1(CNCC(C)C)CC(C)(C)CC(C)(C)C1 1925438188 VNJXBVMOVMYUIT-MRXNPFEDSA-N 277.496 4.724 30 10 CJEE C#CCCCC[C@H](N)c1cscc1OCc1ccccc1 1957083205 TYXWCZUTEUTJEW-KRWDZBQOSA-N 299.439 4.521 30 10 CJEE CCC(F)(F)CCSc1ccc(Cl)cc1C#N 1971149600 DBBFPAAVHSZMGV-UHFFFAOYSA-N 275.751 4.739 30 10 CJEE CCC1(C)CC(Nc2ccc(C(F)(F)F)c(C#N)c2)C1 1973588447 AXGAERFECQUKHB-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE C=C1C[C@H]1CC(=O)c1cc(Cl)c(C)c(Br)c1 1979764830 XMDVRTIIDYIHRA-VIFPVBQESA-N 299.595 4.560 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1ccc(Br)c(C)c1 1996468764 FHBLLWQMUONCHK-ABAIWWIYSA-N 296.252 4.620 30 10 CJEE C=CC1(C[C@@H](O)c2cc(Cl)cc(Cl)c2)CCC1 2002628863 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284.856 4.584 30 10 CJEE CCC[C@](C)(C#N)[C@@](C)(O)c1c(Cl)cccc1Cl 2045990142 QNFDVIFKSKLQIS-KGLIPLIRSA-N 286.202 4.531 30 10 CJEE C[C@H]1C[C@@](C#N)(C[C@@H]2[C@H]3CCCCC[C@H]32)CCS1 2048473445 OXHJEVBKGAXNNH-AALSBFMBSA-N 263.450 4.628 30 10 CJEE CCCC1CCC(C=O)(C2CC(C(C)C)C2)CC1 2048584503 ZGFVGFPJTOOWES-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=C(CC)C[C@@]1(O)CCCC[C@@H]1C1CCCCC1 2051391515 APDILLYYFHGMJO-SJORKVTESA-N 250.426 4.844 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C#N)CCCC12CC2 2053361194 WWILJRRHLGTTQG-WCQYABFASA-N 259.315 4.829 30 10 CJEE N#C[C@@]1(CC[C@H]2CCCC2(F)F)CCCC12CC2 2053368471 SIJFDYOPIATWHQ-OCCSQVGLSA-N 253.336 4.676 30 10 CJEE C=CCCCC[C@H](NCC)c1cccc(F)c1Cl 2059116251 ZRFDDQDXEJDPHJ-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE CCCCCCCC[C@H](N)C1C[C@@H]2CCC[C@H]2C1 2063508663 IXOLOTOIDYHHFD-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE C[C@]1(C(=O)C=C2CCCCC2)CCCC(F)(F)C1 2068374038 QRIVFXSVMRGNRE-AWEZNQCLSA-N 256.336 4.662 30 10 CJEE CC(C)CN(CC(C)(C)CS)C1CCCCCC1 2076547748 UTNCBGMUWMDVDK-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE C=CCCC[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCCC 2079727048 WYLYGEQXIZDDTA-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCCCCNCc1ccc(-c2cccs2)s1 2085084327 VBKMUJZJJQYXJY-UHFFFAOYSA-N 277.458 4.923 30 10 CJEE C=CCCCCCC[C@H]1CCC[C@H]1CNC(C)C 2085840366 XMGNDRVFALZVGS-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CCC[C@H](F)C1 2085849244 JETWXLIYFKVAHM-PMPSAXMXSA-N 255.421 4.629 30 10 CJEE C=CCCCCCC[C@@]1(CNC)CCC[C@@H](C)C1 2085849527 LQQAKIHPXQJZFR-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1CCC(F)(F)C1 2085855485 BCQGHYGORLVNIB-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCC[C@](C)(O)c1ccns1 2086258136 AGSQFBWGCDJZQM-HNNXBMFYSA-N 267.438 4.657 30 10 CJEE C=CCCCCCCCCC1(CNC)CC(C)C1 2086282602 KSIBSRBCVONXSV-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C#CCCCCC[C@H](CC[C@@H]1CC1(C)C)NCCC 2088153353 AJJKXUMADBOGRE-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@H](O)c1cccc2c1CCCC2 2090203482 SDNCOLIRSODXNK-SFHVURJKSA-N 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2227336300 RCEURLDVRFHAGZ-CQSZACIVSA-N 286.822 4.652 30 10 CJEE C=CC(C)(C)CCNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2228669688 ROJFFGUYQYZURO-UHFFFAOYSA-N 282.771 4.571 30 10 CJEE CCC(C)(C)C1CCC(NCC#CC(C)(C)C)CC1 2230495596 VGYXHZUGWGQCAE-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCO[C@@H](CC)CN[C@H](C)CC 2230992603 NKAWDVZRYOGRQS-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)C12CCCC2 2231026344 HUWAQDBBHKCARQ-INIZCTEOSA-N 266.425 4.655 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(F)c(C)n1 2231092993 BLVOPOXZGWVBPC-MRXNPFEDSA-N 267.388 4.703 30 10 CJEE CCCCCCCC[C@@]1(C)CNC[C@H](C(C)(C)C)O1 2231930808 SEHWEAKRSJYSKB-WBVHZDCISA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)NC1C[C@@H]2CSC[C@H]2C1 2231947124 VWUUFIWECASMNV-ARFHVFGLSA-N 283.525 4.857 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CC1 2233625465 WHJWHTGEJKROTH-ZSHCYNCHSA-N 283.406 4.536 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(F)(F)F 2233650822 SITDFDSMWMWYQG-CBBWQLFWSA-N 289.385 4.690 30 10 CJEE C=CCCCCCCCCOc1ccc(C#N)c(C)n1 2234044444 UGPJVONFGQXLNW-UHFFFAOYSA-N 272.392 4.557 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@H]1O 2234049257 UVULOWJKIDAGHM-SJORKVTESA-N 282.468 4.859 30 10 CJEE C#C[C@H](c1ccccc1)N(C)CCCCCCC1CC1 2234087256 NERCWDMNFWNOCM-LJQANCHMSA-N 269.432 4.653 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2235521228 HOIXTJUEVNQYRI-UGUYLWEFSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(OC)c(C)c1 2235531813 DHXUMTWOYQZVGU-KRWDZBQOSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc(OC)c1C 2235536957 ZYLBBYCVQYDKRL-KRWDZBQOSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCCN(CCC#N)Cc1ccco1 2235539293 OMJNOVGUERQGAC-UHFFFAOYSA-N 274.408 4.522 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@@H]2CCC[C@H](C(C)(C)C)C2)N1 2238170771 PYXPKUZRJZESGX-XQLPTFJDSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCCCOC(=O)CC[C@@H](C)N 2239487601 RREQMJVTTWMZDB-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H](C)[C@H](NC)C1 2239488829 CRSCKYSZPGPZKD-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCO[C@@H]1CCNC[C@H]1CC 2239547583 AVYGIOMYMHLSHR-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@H]1Cc2ccccc2S1 2240172500 IJQCJNDBRBCEHC-LESCRADOSA-N 289.488 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O[C@H]1CCC1(C)C)C(=O)O 2240615124 ZILKCPFSHSYHDP-WMLDXEAASA-N 284.440 4.786 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@H](C)C1CC1)NC 2240641772 FEYJREVMTGIUJS-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE C=C(C)CCCCNc1cscc1Br 2241944794 GTUGKLOZQAUKBE-UHFFFAOYSA-N 274.227 4.669 30 10 CJEE Brc1cccc(C#CC[C@H]2C=CCCC2)c1 2246280627 AYHIXNQODJUYRB-ZDUSSCGKSA-N 275.189 4.547 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cccs1 2250157332 WOZBGJKJFGTKHR-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE C=C(F)C[C@H](C[C@@H]1CCCCC12CC2)NCCC 2253797650 YMKUIHGKTNXVRN-LSDHHAIUSA-N 253.405 4.588 30 10 CJEE CCC(CC)(CC)[C@@H](O)CC=CC#CC(C)(C)C 2256775437 CJYQHAAFSAYRJY-HNNXBMFYSA-N 250.426 4.560 30 10 CJEE C=C(CC)C[C@H](NCCC)c1csc(Cl)c1OC 2256839827 CQSSNLKCCBZRJI-LBPRGKRZSA-N 287.856 4.807 30 10 CJEE C=CCCSc1ccc(CNC(C)(C)C)c(Cl)c1 2258978064 HZAXWHUZNNYDAD-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)CC[C@@H](C)C1 2259169922 KYWPMKASKLONSP-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H]1CCCC[C@@H]1CNCCC 2259231157 FLDZOZIQFFIUMY-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H](C)C1CCCCC1 2259233022 IRMQDBWKRWBNHW-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](CC)CCO1 2263646822 IYFOMUXRYXNZBF-HOTGVXAUSA-N 255.446 4.632 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CC[C@H](C(F)(F)F)C1 2264988572 IGBFOJPKGJJPQJ-IHRRRGAJSA-N 279.390 4.914 30 10 CJEE CCC(C=O)(CC)CCC12CC3CC(CC(C3)C1)C2 2265116278 QYZHNUKSHQPWFG-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(CO)C1CCCCC1 2268726029 LFQSDIVIHCWDKM-GOSISDBHSA-N 262.437 4.561 30 10 CJEE C[C@@H]1C[C@H]1CCCCOCc1ccc(C#N)cc1Cl 2268750835 PXHYTCRZEZKXGU-TZMCWYRMSA-N 277.795 4.555 30 10 CJEE C=CCCSC[C@@H](NC)c1ccc(C(C)(C)C)cc1 2271588157 YQEFXUZWWAAZNW-MRXNPFEDSA-N 277.477 4.554 30 10 CJEE CC[C@@]1(C)CSC(=NCC[C@H](C)CCCC(C)C)N1 2272260136 HXPKVEZAQKQHEA-ZBFHGGJFSA-N 284.513 4.700 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(CC)s1 2274122037 PAVPGYOCXAJOJB-MRXNPFEDSA-N 275.461 4.545 30 10 CJEE C=CCCCS[C@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2274478960 FRUSLLNUYGPCNJ-GJZGRUSLSA-N 283.525 4.879 30 10 CJEE C=CCC[C@H](CCCCCCCCC)OCC(=O)O 2274884785 HEUTVLXUNYHWQY-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](CC(CC)CC)OCCCN 2276451478 AEKDYMZSYBCADN-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C=CCC[C@H](C)[C@H](OCCN)c1cc2sccc2s1 2277125548 QPGKTGOTCBCAOC-NHYWBVRUSA-N 295.473 4.582 30 10 CJEE SCCCCCCCN1CC[C@H]2CCCCC[C@@H]2C1 2277503848 ZPZJINXEJPEELV-IAGOWNOFSA-N 283.525 4.769 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCCCC12CC2 2277508972 NWNNIZJZGPLIRP-INIZCTEOSA-N 283.525 4.911 30 10 CJEE C=C(C(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 2277875432 HCOPTVMHOJRYLN-UHFFFAOYSA-N 282.286 4.663 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@H](CCC)O1 2278238503 SLLKOWGGIKKXPY-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)Cc1ccc(Cl)cc1 2284089419 MAEZLUDNHYRDFD-GOSISDBHSA-N 289.850 4.596 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C[C@@H]1CCCCC12CC2 2284171299 UITJGKYIPLIBFB-IRXDYDNUSA-N 273.464 4.670 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccn(CCCC)n1 2285079499 KEIXDQRGTSCNKN-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE C=CCCCCCCCSc1cc(C)nc(CNC)c1 2288349263 NWGLPFFACAMKJZ-UHFFFAOYSA-N 292.492 4.728 30 10 CJEE C=CCCCCCCCC[C@@](O)(CC)[C@@H](C)CN(C)C 2288763626 LHIBUMLBWFXBNZ-ROUUACIJSA-N 283.500 4.632 30 10 CJEE C=CCCCCCCCC[C@](N)(CC)[C@@H](C)CN(C)C 2288828738 KGODTHOHLPYIKQ-ZWKOTPCHSA-N 282.516 4.598 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1C[C@@H]1CC(C)C 2289680787 HWFDJINHWUOLLX-IPMKNSEASA-N 275.480 4.621 30 10 CJEE CCC(C=O)(CC)CN(C)[C@H]1CC(C)(C)CCC1(C)C 2290337478 CZDDADJAMRJFHR-HNNXBMFYSA-N 281.484 4.528 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H]1CC=CCC1 2290914222 GUFROCQUVNRAKX-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCC(=O)O)c1ccsc1 2292430879 YKYBDEWOWJODQQ-OAHLLOKOSA-N 296.432 4.807 30 10 CJEE CCCCCCC[C@](C)(C[C@]12CCC[C@H]1C2)OCCN 2292815169 JVHKXEVWSACMRN-RCCFBDPRSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H]1CC1(F)F 2293462993 JBNWBKUJDVHZFH-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@H]1[C@@H](C)[C@H]1C 2293504171 IKIJZWOKRDPSCY-XWTMOSNGSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CC(C)(C)C1(C)C 2293650897 DOTNLYTXXCLWQL-GOSISDBHSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC(C)(C)C[C@@H]1C 2294349809 XNNOUOSPIFODFO-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@@H](C)[C@H](C)NC[C@H]1C 2295539898 ZZQYZYXSAMZDBU-MHORFTMASA-N 282.516 4.586 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@@H](N)CC(C)(C)C1 2295540532 HYYTZMXWEMCZDK-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccnn1CCC 2295603091 JCBAYSCDQZYVOX-KRWDZBQOSA-N 280.456 4.641 30 10 CJEE C=C(C)[C@H](NCCC)[C@@](C)(O)CCCCCCCCC 2295679578 QSFULZBTQPHCMM-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(C)c(C)c1 2297351368 OCVWLGRIASLHBZ-UHFFFAOYSA-N 279.383 4.810 30 10 CJEE FC(F)(F)CCCCCOCCCCCCS 2300394770 XBIYOTREABHNPY-UHFFFAOYSA-N 272.376 4.616 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C)c(Cl)cc1F 2304053428 VQVLAYGRGMMOOS-UHFFFAOYSA-N 254.732 4.573 30 10 CJEE C=CCCCCCCC[C@@H](NCC)C1[C@@H](C)[C@@H]1C 2312408746 BOBWULUQTXVQIZ-HRCADAONSA-N 251.458 4.783 30 10 CJEE CC(C=NNc1nc2ccccc2s1)=Cc1ccccc1 2313533111 ZBSZKSPLYBFYCD-UHFFFAOYSA-N 293.395 4.798 30 10 CJEE CCCCCCCCCN1CC=C(C(F)(F)F)C1 2318040627 DHSXCZRYDSPDIZ-UHFFFAOYSA-N 263.347 4.541 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)c(C)cc1F 2321111919 BJYCSAXPWWTOIB-BONVTDFDSA-N 269.791 4.650 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@H]1C[C@H]2CCC[C@H]1CC2 2321221891 DZMQLOYUKUNQHE-JONQDZQNSA-N 250.426 4.556 30 10 CJEE CCCCCCC[C@H](N)c1ccc(F)cc1SC 2328514089 RMCVIEVZRXYVBI-AWEZNQCLSA-N 269.429 4.908 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329714758 VJNFSHKNIFFLFQ-LXTVHRRPSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCC[C@@]1(C=O)COCC1(C)C 2336152998 GLCCKBNTGYIUKG-QGZVFWFLSA-N 268.441 4.759 30 10 CJEE CC(=CC[C@@]1(C#N)C[C@H]2CC[C@H]1O2)CCCC(C)C 2338436086 NEBZCEDWDXWXAX-ZACQAIPSSA-N 261.409 4.610 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2338736988 ZQDKKQBFUGMZCG-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2338742349 VKXJCWLTMDGCAZ-XLAORIBOSA-N 261.453 4.689 30 10 CJEE CC(C)[C@@H](C)[C@H](C)N(C)CC1(CS)CCCCCC1 2339891590 DKTPWXYSGLSWIS-CVEARBPZSA-N 285.541 4.869 30 10 CJEE CCCCCC#CCN(C)CCCC1=CCCCC1 2341078835 CLUXMVBCUDHGBV-UHFFFAOYSA-N 261.453 4.783 30 10 CJEE CC(C)(C#N)CCCCOCC[C@@H]1CC[C@@H]1C1CC1 2342381428 GGZXZRWENJRRIY-JKSUJKDBSA-N 263.425 4.549 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CC[C@@H]1C1CC1 2342436841 VKKPDLRCMXUVNU-ZWKOTPCHSA-N 263.469 4.929 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(C#N)CCCOC1(C)C 2343241866 PTRHNUCEHKKFJE-CPUCHLNUSA-N 263.425 4.548 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCCC[C@@H]1CC2)NCC 2344339097 GDSVYOCQGXUFOS-SOLBZPMBSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2344346991 XSHMFEIOUSCSRX-TXTZMMAHSA-N 263.469 4.913 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC12CCCC2)NCCC 2344350156 ZJQDBPBPLHRADV-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)C(=O)c1cccc(C(F)(F)F)c1C 2344382751 GRTVWBHMPQQCIC-UHFFFAOYSA-N 270.294 4.799 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC(C)(C)c1ccccc1 2344468902 RKNGZGQYGBNXTN-AEFFLSMTSA-N 260.421 4.708 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC[C@@H](CCC)CC1 2352002615 CUMYZGZKCGIWBD-ZBFHGGJFSA-N 284.465 4.890 30 10 CJEE C=CCCS[C@]1(C(=O)O)CCC[C@@H](C(C)(C)C)CC1 2352002678 GCIYRSPHNVGXJT-CZUORRHYSA-N 284.465 4.746 30 10 CJEE C#CC[C@@H](C[C@@H](N)c1c(Cl)cc(C)cc1Cl)C1CC1 2353056022 DEQFVKJIQGJTJU-SWLSCSKDSA-N 296.241 4.741 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H](O)[C@@H]1C[C@H]1C 2357643624 KOFPTEPXIMSBSD-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)OCCN 2360060083 IVCAIXUJBIBZME-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE C=C(C)CN(C)c1ccc(C)c(Cl)c1CN[C@H](C)CC 2360550173 YLWNVRQRFJDKDC-CQSZACIVSA-N 294.870 4.549 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)s1 37071364 CGCNFRHBZMAZDL-JTQLQIEISA-N 276.792 4.641 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(C(C)C)cc1 37938038 ATAFVZBYHAOWKU-GOSISDBHSA-N 264.372 4.795 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)CCc1ccco1 59090262 FFOMUFGHBUQBLM-HZPDHXFCSA-N 265.441 4.939 30 10 CJEE CCCCCCCCOc1c(CNCC)cccc1OC 59272111 YWILVNQFGVHNNP-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(CN(C)C)c1 59431363 DTDVZWHUKXJANO-INIZCTEOSA-N 276.468 4.909 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1c1ccc(Br)cc1 62670609 GBQVEEABBYMDGZ-TZMCWYRMSA-N 278.193 4.637 30 10 CJEE Cc1cc(C)cc(C2(C#N)CC3(CCCCC3)C2)c1 86537840 FRMHRQYIUSCFPU-UHFFFAOYSA-N 253.389 4.809 30 10 CJEE C=CCCC[C@H](CSc1ccccc1Cl)NCC 90233064 XLAVWDNBQLBQDA-CYBMUJFWSA-N 283.868 4.767 30 10 CJEE N#Cc1cc(NCc2cccc(C3CC3)c2)ccc1Cl 94518546 WJFYQQRMGALLBC-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CC1(C)CCCN(CCCCCCCCCS)C1 97799123 RZVHYWWRCDSZOF-UHFFFAOYSA-N 271.514 4.769 30 10 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30 10 CJEE CC1(C)CCC([C@](C)(N)C#Cc2ccccc2Cl)CC1 2295225254 XDTJUYGCJYQLPC-GOSISDBHSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cc(OC)ns1 2295681157 DUMBXPYYOWRNJN-AWEZNQCLSA-N 298.496 4.771 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](C)C(=O)N[C@H]1C(C)C 2295686159 FXVCDWWNJHLXPC-SOLBZPMBSA-N 281.484 4.924 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(Br)cc1C 2301019880 RDUOFSRVUHCNJX-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1C[C@@H]1CF 2313502577 LWZKBYFNGYKBAL-ARFHVFGLSA-N 258.421 4.874 30 10 CJEE C=CCC(CC=C)Sc1cc(C2CC2)nc(Cl)n1 2313629303 SAUQXBUKDHDFGP-UHFFFAOYSA-N 280.824 4.620 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc(CCC)s1 2316106776 CSOWEMMZQQFWEB-ZFWWWQNUSA-N 265.466 4.954 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1cccc(Cl)c1Cl 2316738482 IHKDFVOJJGGEQG-OAHLLOKOSA-N 285.214 4.969 30 10 CJEE CCCCC#CC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2316941443 ALHOMTCXICBGBZ-CQSZACIVSA-N 284.230 4.885 30 10 CJEE CCCCCCCCC[C@@H](O)C#C[C@H]1CC1(C)C 2317341134 JMIXOXSUNRQUNK-JKSUJKDBSA-N 250.426 4.538 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1sccc1CC 2321096841 VUKICRIZAJAGRF-JKSUJKDBSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@@H](CCCCC(F)(F)F)NCC 2321097590 CLVMTZWSBJWKDR-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cscc1C(F)(F)F 2321135055 SCQAJCOPKOCQHV-VXGBXAGGSA-N 277.355 4.759 30 10 CJEE C=CCC(CC=C)S[C@@](C)(CC(C)(C)C)C(=O)O 2327017353 DWSKNZVDGHXYNJ-HNNXBMFYSA-N 270.438 4.520 30 10 CJEE CC(=NOCCCc1ccccc1)c1cccc(Cl)c1 2330497539 PMCKHEFPJKRQQD-UHFFFAOYSA-N 287.790 4.713 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1C[C@@H]2CCC[C@@H]21 2331813950 QZSQJDOOTMBTPV-JYJNAYRXSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2333706582 QXPZRFQJRTXEPG-ZNMIVQPWSA-N 271.395 4.536 30 10 CJEE C=CCC(CC=C)Sc1cccc(OC(C)C)c1N 2335099748 BLFPXXPOXCRGMS-UHFFFAOYSA-N 277.433 4.669 30 10 CJEE C=CCC(CC=C)N[C@H](c1ccc(Cl)cc1)C1CC1 2335113294 AGWFNCTWWGGLRP-KRWDZBQOSA-N 275.823 4.902 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1c(F)cccc1Cl 2337110718 DLXJVKVQGQKECB-YWPYICTPSA-N 281.802 4.875 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1nc(Cl)nc2sccc12 2337112115 CASYBDNWTJTTTI-ONGXEEELSA-N 293.823 4.501 30 10 CJEE CC(C)(C#N)c1ccnc(Sc2cccc(Cl)c2)c1 2338335616 YSNLMEIXWRSDKD-UHFFFAOYSA-N 288.803 4.687 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc2ccc(F)cc2s1 2338733770 VRNODNAAYQDBDU-MRXNPFEDSA-N 276.376 4.842 30 10 CJEE C=C1CCC(CNCc2ccc(F)c(C)c2Cl)CC1 2339316678 PBYNXKKLNBBGOP-UHFFFAOYSA-N 281.802 4.624 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@@H]1C1CCCCC1)NCCC 2341930285 JHEPOCXLCALBOU-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE COCc1ccc(C[C@@]2(C#N)CCCC(C)(C)C2)s1 2342137900 WRIUPDPKTGJFAZ-INIZCTEOSA-N 277.433 4.547 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCCC 2344340839 WESRVSNRJWAHTG-KFGODFMUSA-N 261.453 4.559 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)cc1F)NCCC 2344345446 MUVGLFVWSGBALH-LRDDRELGSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cccc(C2CCC2)c1 2344421018 PDVWHPWCABNZJE-UHFFFAOYSA-N 256.389 4.668 30 10 CJEE C#Cc1ncccc1NCCCCCCCCCC 2346076039 SWRNTDDYDBEHKP-UHFFFAOYSA-N 258.409 4.616 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@@H](C)C[C@H]1C 2355201395 XXBUXRWXQXCGFV-KURKYZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)C[C@@H]1C[C@H]1CCC 2357781114 DAGCZQUEMKWPOW-XMTFNYHQSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC[C@@H]1C[C@@H]1CC)NC 2358712501 JLDOOCNWOHBYHP-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136514 GVGYMOSDWYDROJ-LISAXSMJSA-N 275.436 4.692 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@@H]1CC[C@@H]2C[C@@H]2C1 2360069925 IJNOARKVMCSCFJ-BRSBDYLESA-N 281.484 4.517 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccco2)C1 37156243 ABVBUBXVQMDHKF-GZBFAFLISA-N 277.433 4.867 30 10 CJEE CCCCc1ccc(Nc2ccccc2C#N)cc1 37253004 VDGWSGVBFABRBJ-UHFFFAOYSA-N 250.345 4.644 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cccc(O)c1 37766165 QFNVYYWYKQBZIS-CYBMUJFWSA-N 285.412 4.843 30 10 CJEE CCc1c(-c2cc(Cl)ccc2Cl)sc(C#N)c1N 44273841 HSGYWSSCECDYDW-UHFFFAOYSA-N 297.210 4.738 30 10 CJEE Cc1ccc([C@@H](Nc2cc(C#N)ccc2C)C2CC2)cc1 50429935 QTHCJOXYFXASIP-LJQANCHMSA-N 276.383 4.738 30 10 CJEE N#Cc1ccc(Sc2cccc(Cl)c2)c(F)c1 54185498 CFAOAKQOHZHSNJ-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2ccc(F)cc2)c(C)c1 57685722 DCIOQESHMSVIBF-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC)c(C)c1 59284810 JEMKNQQBVJBTLN-INIZCTEOSA-N 263.425 4.625 30 10 CJEE Fc1ccc(/C=N/c2ccc3[nH]c(=S)sc3c2)cc1 59387200 NYWOIMMKYZLYSM-LZYBPNLTSA-N 288.372 4.849 30 10 CJEE CCc1c(C#N)oc2c(Cl)cc(Cl)c(Cl)c12 71126136 LETHGNRJUGHNTG-UHFFFAOYSA-N 274.534 4.827 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C)cc2/C(C)=N/O)C1 71150050 HOWFIYCMSNVSFW-VVFWOWLMSA-N 275.392 4.541 30 10 CJEE CCCC[C@@]1(C)CN(CCCC#N)c2cc(C)c(C)cc2N1 76932946 ASGZJCFQOHXYSQ-IBGZPJMESA-N 299.462 4.788 30 10 CJEE CC(C)(C)c1oc(-c2ccc(F)cc2F)cc1CC#N 77084877 OKNIBWZKAHTRSH-UHFFFAOYSA-N 275.298 4.588 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)CC1 86891565 OVCSETUDQMXGMK-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE CCOCCCC1(C#N)CCC(C(C)(C)C)CC1 87971922 DMNCYVSZCILCAH-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1C#N 88513540 UCGDWECBDBVSAM-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCCC[C@@H]1CO 91357263 QLINAWYGGRATPU-ZWKOTPCHSA-N 283.500 4.515 30 10 CJEE CC[C@@H](C)[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91878450 FRWHKWZYPZJBJY-FDVNEVKMSA-N 265.441 4.530 30 10 CJEE Cc1cccc(CN(C)CC2(CS)CCCCCC2)c1 94581295 SPCMETKTBLJKAM-UHFFFAOYSA-N 291.504 4.697 30 10 CJEE CCCC(CS)(CCC)Cn1nc(C)c(CC)c1C 94587872 WAOMGULGZVAUPD-UHFFFAOYSA-N 282.497 4.579 30 10 CJEE C#CC[C@@H](CCC)c1cccc(Br)c1C 107511179 CAIRXLMEUCXJRA-LBPRGKRZSA-N 265.194 4.665 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 109900748 IQJWKURVEILVHL-GZBFAFLISA-N 259.418 4.565 30 10 CJEE CCCCCCC[C@H](C)Nc1cnn(C(C)C)c1 109958527 UGBNGIZKIXALSD-AWEZNQCLSA-N 251.418 4.625 30 10 CJEE CCCCCCCCCN(C)c1ccccc1C(=O)OC 110043139 HGSMWVIIQCRXCW-UHFFFAOYSA-N 291.435 4.660 30 10 CJEE COc1ccc(Cl)cc1Nc1cc(Cl)ccc1C#N 110252341 XDQTURSGTBGRIW-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCC[C@H](Cc1ccncc1)NCCC 112897255 DLEIMQBRVAMREG-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NCC1(CC)CC 114060241 YMODENKMWXKXOK-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCc1noc(N)c1CC 115063818 KQQMHLNLQKDNLA-UHFFFAOYSA-N 266.429 4.893 30 10 CJEE CCCCCCCCCCCC[C@@H](NCC)c1nnc[nH]1 115779690 CXPQGGPPZPPIMG-MRXNPFEDSA-N 294.487 4.766 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C#N)ccc1C 115857504 ZEZLAYPNPSZAFC-UHFFFAOYSA-N 286.419 4.946 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCc2ccccc2C1 116273202 UQAITEJGKWGXHO-RTBURBONSA-N 273.464 4.869 30 10 CJEE CCCCCCCCCCNC[C@](C)(O)CC(C)C 116865863 OBHOVNDEXOCDMT-QGZVFWFLSA-N 271.489 4.514 30 10 CJEE CCCCCCC[C@H](CSc1ccc(F)cc1)NC 117402684 FNWLGFZLCUGSBO-OAHLLOKOSA-N 283.456 4.866 30 10 CJEE CCCCCCCCCCCCN[C@H](CO)C(C)C 118504359 HNYSCACHWWNSLU-QGZVFWFLSA-N 271.489 4.514 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](CC)c1ccccc1 122407050 JMCNGKGPYQTOLM-ZWKOTPCHSA-N 276.468 4.763 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccncc1F 125019326 KROOVYDRPNSQHZ-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE COc1ccc(C#N)c(Oc2ccc(C(C)C)c(C)c2)c1 130503168 ACVRJNUWROVZCG-UHFFFAOYSA-N 281.355 4.791 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CC)[C@@H]1CN 157152514 JVNATGSHAKFGDL-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(OC)c(F)c1)NC 157245690 ITSVFBOJPZHNFT-INIZCTEOSA-N 295.442 4.715 30 10 CJEE CCCc1c(-c2cccc(C)c2Cl)sc(C#N)c1N 163027365 DMQDZGNWCBELLD-UHFFFAOYSA-N 290.819 4.783 30 10 CJEE CCCCCCCCCOc1c(F)cccc1C(=O)O 165775400 FNTBYHQNMQTVFE-UHFFFAOYSA-N 282.355 4.653 30 10 CJEE C=C(CC)CC(=O)c1cc(Br)ccc1Cl 169194542 TVLNWGONDXLGQT-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCCCCCNc1cc(C)ncc1C(=O)O 211156777 AEAPKSNELJPYBM-UHFFFAOYSA-N 292.423 4.641 30 10 CJEE CCCCCCC[C@H](O)[C@@]1(C#N)CCC[C@@H](CC)C1 218471737 QGPIKTDCVZGSHA-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 226592142 HCSXBJNCPVYSHU-VWYCJHECSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCCCn1cc(O)cn1 228044253 RJKQDRIRCYBANO-UHFFFAOYSA-N 252.402 4.510 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCOC2(CCCC2)C1 228790014 BZSPMZNYOBYHEJ-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=C[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229321514 GJWFMICUANZFAE-YUMQZZPRSA-N 278.610 4.872 30 10 CJEE Cc1cc(C(F)(F)F)ccc1C1=CC(=O)CCCC1 230163602 JTPFCITWVWONAO-UHFFFAOYSA-N 268.278 4.540 30 10 CJEE CCCCCCCC(=O)Cc1ccc(F)c(Cl)c1 231085209 JYHYBLNEAGZBFW-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE CC(C)CCCCCCNc1cccc(F)c1C#N 232542419 RERSRRKOHSAQKJ-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CCCCCCCC[C@@H](N)c1cnc(C(F)(F)F)s1 232956101 SYKBKXJTUHJYOL-SNVBAGLBSA-N 294.386 4.912 30 10 CJEE C=CCC[C@H](C)Nc1cccc(Cl)c1Br 235097408 ZGTCPDSBLUIAAQ-VIFPVBQESA-N 288.616 4.869 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccccc2Cl)cc1C 235837563 KRCLDZCIBNQFLB-KRWDZBQOSA-N 284.790 4.942 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@]1(C)CC 250821562 LKMOHXKPJBMVPL-ROUUACIJSA-N 282.516 4.590 30 10 CJEE Cc1ccccc1N[C@]1(C#N)C[C@@H](C)CC[C@H]1C(C)C 251001224 XFYHICYJAXXMJE-ZVZYQTTQSA-N 270.420 4.762 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)c2ccccc2F)C1 251595743 KDCTVHVZHTWIKV-ADAWSYLGSA-N 288.410 4.537 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl 252423738 BETNFRSONBTPDL-KCQAQPDRSA-N 288.822 4.982 30 10 CJEE N#C[C@]1(Cc2c(Cl)cccc2Cl)C[C@H]2CC[C@H]1C2 252804699 AXEIDFCWNCLRHF-ZIBATOQPSA-N 280.198 4.866 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 252903818 PENAKCOZABGTGF-QEOTZNIISA-N 269.473 4.514 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H](OC)C12CCC2 308332347 FDFLXPHMUWRRAP-SJLPKXTDSA-N 282.468 4.837 30 10 CJEE C[C@H]1CCC[C@H](COc2c(C#N)oc3ccccc23)C1 312599457 SARFPPJEJVRWEO-STQMWFEESA-N 269.344 4.510 30 10 CJEE CCCCCCC[C@@]1(CNC)CCc2ccccc2C1 316879782 BDBSEWXCNFDRNH-LJQANCHMSA-N 273.464 4.742 30 10 CJEE CC1CCC(C=O)(Cc2cccc(C(F)(F)F)c2)CC1 317149566 LFTFMXVHENHEHN-UHFFFAOYSA-N 284.321 4.643 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC(F)(F)c2ccccc2)C1 317205541 VMHSEJQCZWBGTN-UKRRQHHQSA-N 266.331 4.564 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(COCCC(C)(C)C)C1 328153857 GBDOBMFNXGDNDO-GOEBONIOSA-N 251.414 4.549 30 10 CJEE CC[C@H](/N=C1/N[C@H](CC)[C@@H](CC)S1)C1CCCCC1 328585031 GYUJQBCLQXFOFH-RRFJBIMHSA-N 282.497 4.595 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cnc(Cl)cc2Cl)C1 385547644 OTNQTMCDENWVNT-QMTHXVAHSA-N 283.202 4.651 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)C2(C#N)CCCCCCC2)C1 394593595 CNZUEGAIESXYPB-IXDOHACOSA-N 277.452 4.818 30 10 CJEE Cc1ccccc1N[C@@](C)(C#N)[C@@H]1CC2CCC1CC2 394609994 ARDJMEUVQCCHLG-IOTAOYMUSA-N 268.404 4.516 30 10 CJEE COc1ccc(Cl)cc1C[C@@]1(C#N)CCCC[C@H]1C 394979261 VKCVSFMFLCBYTL-MLGOLLRUSA-N 277.795 4.611 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2c(F)cc(F)cc21 398288644 WTQACPNIKQKYPJ-SECBINFHSA-N 282.359 4.521 30 10 CJEE CCCCCCCCCCCCN[C@@](C)(CO)C(C)C 398544265 GZCSJGICSHPDAQ-SFHVURJKSA-N 285.516 4.904 30 10 CJEE CCCCCCCCCCC[C@@H](Cc1cnsn1)NC 399831127 AEWHYJSSIYACRO-HNNXBMFYSA-N 297.512 4.590 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1CCCCC1(F)F 400493960 DYFUYZMFVBTGJM-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE CC[C@@H](CC(=O)C=C1CCCCC1)CC(F)(F)F 402373191 VHHXRRDGXGLNOL-NSHDSACASA-N 262.315 4.815 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 464439001 NOOCEEKOJDULMQ-HUUCEWRRSA-N 299.414 4.945 30 10 CJEE C#CCCCCC[C@H](C[C@H](C)C(F)(F)F)NCCC 686690784 BBVYCZWRBLJCRP-UONOGXRCSA-N 277.374 4.527 30 10 CJEE CCC(CC)(C(=O)C1=CCCCCC1)C(F)(F)F 690279677 OWDUGYJWTCAWTL-UHFFFAOYSA-N 262.315 4.815 30 10 CJEE C=CCC1(NCC/C=C\c2ccccc2)CCCC1 690759020 VGMBAALZHITZBW-SDQBBNPISA-N 255.405 4.568 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(OC)c1C 691212911 VPIIIXLIZNPDRM-INIZCTEOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCCCCCN(C[C@H](C)N)C1CC1 692137934 UMEHKMVTFRHHIO-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2ccc(C)cc21 692188766 AWWFRESFPLTIKA-ZFWWWQNUSA-N 286.444 4.941 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCSc1ccccc1 692241347 STXYZUIPWCORMJ-DOTOQJQBSA-N 275.461 4.503 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCCC12CCCC2 695684934 IHBSEZSFJDWRHA-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCCC[C@H]1C1CC1 695952187 AXDDQPVKRCCZSD-HOTGVXAUSA-N 274.795 4.614 30 10 CJEE CCCCCCCC[C@@]1(O)Cc2ccccc2[C@H]1C 698989684 UDBVOCAMLUQRDY-CRAIPNDOSA-N 260.421 4.828 30 10 CJEE C=CCC1(NCc2c(F)ccc(F)c2Cl)CCCC1 705545848 JUDUJQMJEWTPQV-UHFFFAOYSA-N 285.765 4.597 30 10 CJEE CCCCCCCCCCCCN(CC(N)=S)C1CC1 706856258 IMSFGQPTCNHPAA-UHFFFAOYSA-N 298.540 4.658 30 10 CJEE CCCCCCCC[C@H](N)c1cccnc1C(F)(F)F 707733868 CQHKAYYFYVQLNZ-ZDUSSCGKSA-N 288.357 4.851 30 10 CJEE C[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CC(C)(C)C1 708295785 UPKOISFHACKPQY-NWDGAFQWSA-N 276.811 4.838 30 10 CJEE CN(CCCCCCCCCS)C[C@@]12CCC[C@@H]1C2 710462898 VJMLNPFBHKDRRV-SJORKVTESA-N 283.525 4.769 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H]([S@@](=O)CC(C)(C)C(C)C)C1 718760351 RLKGFUSRRRDKRV-DICRZQGBSA-N 297.508 4.526 30 10 CJEE CC(C)c1ccc(C#CCNC(C)(C)C)c(C(C)C)c1 723043395 IFGHEBLJPKALGN-UHFFFAOYSA-N 271.448 4.673 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 724565399 DOXMQDBJJOCAAQ-ZNMIVQPWSA-N 290.369 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C=CC1(C[C@H](O)Cc2cccc(Cl)c2Cl)CCC1 2220276421 NUDWRKQSLCIICM-GFCCVEGCSA-N 285.214 4.643 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@H](C(C)(C)C)C1 2222268294 SWEYFMJQITUXST-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCS1 2222953323 BQNAFFMRKFEDTF-KLHDSHLOSA-N 263.450 4.772 30 10 CJEE C=CC[C@H](CCCCC(C)(F)F)CNC1CCC1 2223556795 JCAIAAZYZPCGMQ-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CCc1cc(Cl)ccc1NC[C@H](C#N)C(C)(C)C 2223811099 YHIXTZCDBQYYSU-LBPRGKRZSA-N 264.800 4.500 30 10 CJEE CCCCCCCC[C@@](C)(O)CCCOCCC 2223843148 MRMNJLRWTFHVAO-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCc1scc(CNC2CC2)c1C 2223847627 GXPYHCNVSXMOAN-UHFFFAOYSA-N 265.466 4.821 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@@H]1NCC 2224329397 OTKBYERVJITFOL-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225302719 XVKOCRLCUONFOK-DABQJJPHSA-N 268.347 4.518 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H]1CCC[C@H](C)CC1 2225413949 ARWRPNVPVCQWLW-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE Cc1cc(C#N)ccc1OCCCCCCC1CC1 2225781981 WGIGDRISHDWPSA-UHFFFAOYSA-N 257.377 4.606 30 10 CJEE C[C@@H]1C[C@@H]1CCC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2227502686 YPIMZHCXLXLTOD-SCVCMEIPSA-N 296.197 4.606 30 10 CJEE CCCCCCC[C@H](NC)c1ncccc1C1CC1 2228823891 DNICRYBHSSMEMW-INIZCTEOSA-N 260.425 4.580 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1 2229873521 XUIWJSCJGLLOKQ-XLAORIBOSA-N 263.469 4.621 30 10 CJEE C=C1CC(CNC)(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 2230667026 UDLCABUVFQJIFJ-ZACQAIPSSA-N 261.453 4.539 30 10 CJEE CCCCCCCCCCOCC(=O)CC1(C)CC1 2231042551 PGYLXEWWIOLRNC-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cc(Cl)ccc1F 2231534528 BKJSLQGXOHUNDT-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE C=C[C@@](C)(CNC1CCC1)Cc1ccc(Cl)c(Cl)c1 2231555026 KOQDAMKOJPCSDZ-MRXNPFEDSA-N 298.257 4.870 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2231898319 GHRSHFZAPJUQES-MCEUPANISA-N 263.469 4.747 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](O)CC(C)(C)C 2231946285 ODPXMVMWHZVNCZ-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1OC[C@H]2CCC[C@H]21 2233186557 MDCUXCBZBCIUJY-ZJPYXAASSA-N 281.484 4.530 30 10 CJEE C=CCCCCCC[C@H](NN)C1C[C@H]2CCC[C@H](C1)C2 2233540526 CFJMMGCIATWAKD-BQFCYCMXSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCO[C@@H](CCC)CNC1CC1 2234050338 FFRUJVLPNYCOIX-SFHVURJKSA-N 281.484 4.840 30 10 CJEE C=CCCCCO[C@@H]1C[C@@](C)(CC)CC[C@H]1NCCC 2234060905 OEAGUOYQQONPCB-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@]1(N)COC2(CCCCC2)C1 2235518895 LASXTPUFJAFBDM-KRWDZBQOSA-N 279.468 4.724 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1COC(C)(C)C1 2235524023 LSZUDADBPMPNEN-DLBZAZTESA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1COC(F)F 2236751708 UNSZRRIDUJOBGR-HNNXBMFYSA-N 291.426 4.831 30 10 CJEE N#Cc1cccc([C@H](N)CCCCCCCC2CC2)c1 2239341546 VDQAPXZBUJRCMK-GOSISDBHSA-N 270.420 4.699 30 10 CJEE CCCCCCCCCCOC1(CC(=O)OCC)CC1 2239499008 KTINWWAAIRNIDY-UHFFFAOYSA-N 284.440 4.630 30 10 CJEE CCCCCCCCCCOCc1nc(CNC)cs1 2239500160 JAYIAJIDLLLAFB-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE CCCCCCCCCOC[C@@H](O)c1ccc(C)cc1 2239543871 LIMWQCPUUUJTLG-GOSISDBHSA-N 278.436 4.796 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)CC1CCCCC1 2239562938 PJDOYDRWQZXHOW-GOSISDBHSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@]1(C)NC2(CCO1)CCSCC2 2240566460 QYFVGBLVWPBMBG-MRXNPFEDSA-N 299.524 4.729 30 10 CJEE CCCCCCCC[C@@H](C)NCc1c(Cl)c(C)nn1C 2240963294 DTGPECPGRQJHPE-CYBMUJFWSA-N 299.890 4.611 30 10 CJEE C[C@@H]1CC[C@H](CSCCCB2OC(C)(C)C(C)(C)O2)C1 2241574936 DRJWUQXMRPGXNV-KGLIPLIRSA-N 298.301 4.638 30 10 CJEE C=CCCCCCCCSC[C@@H](CN)C1CCC1 2258988323 XRZZSZKZKLRFKR-MRXNPFEDSA-N 269.498 4.621 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccc(Cl)cc1Cl 2259188912 XTZYIVGCZNLVKF-CQSZACIVSA-N 287.234 4.634 30 10 CJEE C=C(C)CCCC[C@@]1(N)CCCC[C@@H]1C(F)(F)F 2259189991 IBVBWXDGSYXKHT-QWHCGFSZSA-N 263.347 4.573 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(Cl)cccc1OC 2259236308 AGHZGHRFZCOPJL-CYBMUJFWSA-N 268.784 4.519 30 10 CJEE CCCCCCC[C@](C)(N)c1sc(Cl)cc1OC 2263758943 MDNBERBRTFCOMG-AWEZNQCLSA-N 289.872 4.945 30 10 CJEE COc1ccc(Cl)c(C(=O)C2=CCCCCCC2)c1 2268037156 MWBOHZMUCVIZEQ-UHFFFAOYSA-N 278.779 4.812 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(O)CC=CC#CC(C)(C)C 2268753958 DDIXATYMZOVPNO-FUHWJXTLSA-N 262.437 4.560 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC(C)(C)CC 2268755762 WZXDIEOKOKVJKV-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CN(CC=CC#CC(C)(C)C)C1CCCCCCC1 2268828140 YOXWIQRKRRGFGG-UHFFFAOYSA-N 261.453 4.637 30 10 CJEE C=CCCCCCCCSc1ccncc1[C@@H](C)N 2271491554 ORKKBLGMWUMRFU-CQSZACIVSA-N 278.465 4.720 30 10 CJEE CCCCCCC[C@@H](NCC)C1CC2(CC(F)C2)C1 2272134831 ZTILVSZRSSZROG-ONNPGMOUSA-N 269.448 4.853 30 10 CJEE CCCCCCC[C@@H](O)c1ccnc(C(C)(C)C)c1 2273571190 HMHAOPODOUTWMD-OAHLLOKOSA-N 263.425 4.773 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)C1CC(CC(C)(C)C)C1 2274214006 RYIIABIMZFZIQB-BOXZVXIZSA-N 265.441 4.530 30 10 CJEE C=CCCCC[C@H](O)Cc1cccc(C(C)(C)C)c1 2274440494 ISJCLIXFFUHVLO-KRWDZBQOSA-N 260.421 4.634 30 10 CJEE CC(C)(C)c1cccc(C2(C#N)CC(C3CC3)C2)c1 2274504413 PIJXAYDCJQNONJ-UHFFFAOYSA-N 253.389 4.565 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc2ncsc2c1 2278466168 KLPMWLNLDNYEMI-INIZCTEOSA-N 277.433 4.864 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2scnc2c1 2278624705 NYVADILLKBZFNB-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C=CCCCCCCCCOc1c(F)cccc1C#N 2280428794 MCCWLPANVLUBTJ-UHFFFAOYSA-N 275.367 4.993 30 10 CJEE Cc1cc(N[C@H]2CCCC[C@H]2C2CC2)cc(C)c1C#N 2280570228 JRPNLHOXXQKHJV-WMZOPIPTSA-N 268.404 4.556 30 10 CJEE CCCc1ccc(CN(C)CC2(CS)CCCC2)cc1 2283525477 NRGYVGHEWNTBMM-UHFFFAOYSA-N 291.504 4.561 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CC=CC#CC(C)(C)C 2284084948 XXRHWQCKCUCEKN-ZIFCJYIRSA-N 276.464 4.806 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCCCC1(F)F 2284090626 FODFDGSJFFWXQT-LSDHHAIUSA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C[C@H](C(F)F)C(C)(C)C 2284183066 MMAXJQZNJIFYLH-ZIAGYGMSSA-N 286.406 4.661 30 10 CJEE C=CCCCCCCCSc1ccc([N+](=O)[O-])c(N)c1 2287090757 SCGVJBNBXSESFY-UHFFFAOYSA-N 294.420 4.796 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(C(C)C)[nH]n1 2287383045 CUFWLFOAZSIJKF-HNNXBMFYSA-N 277.456 4.710 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C(F)(F)C12CCCC2 2287467244 MPISCVUPKMDONJ-LSDHHAIUSA-N 285.422 4.927 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSC1CC2(CCC2)C1 2288954726 UPHLPCXJKMBUEP-MRXNPFEDSA-N 294.508 4.503 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)CCCc1cccs1 2289671020 BRRWYVCBSMORFN-QGZVFWFLSA-N 289.488 4.633 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1CCC(CC)CC1 2289699603 CVYDBJDEDJLBFB-NKELODKYSA-N 275.480 4.765 30 10 CJEE CCCC1CCC([C@H](C#CC2CCCC2)NCC)CC1 2289706050 RVMZJXYOPQRRGD-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](CC#CC1CCCC1)NN 2289851122 CBVJNKOCUSKTFU-GOSISDBHSA-N 278.484 4.543 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(C)CC(C)(C)C1 2289871400 WDWGAZMWQSENIY-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1CCCC1(C)C 2289873279 BULUIVLBJHTNBM-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1ccc(C(C)C)cc1 2289880233 HSWQVYUNNMETTI-IBGZPJMESA-N 269.432 4.654 30 10 CJEE CCCC1CCC([C@@](C)(N)CC#CC2CCCC2)CC1 2289899579 RXCYVFPYEADPSY-KVZIAJEVSA-N 275.480 4.894 30 10 CJEE CCCCCCCCC(=O)C[C@@]12CC[C@@](CF)(C1)OC2 2290481523 SFNCAKLCKINFOW-IRXDYDNUSA-N 284.415 4.605 30 10 CJEE C/C=C/CCC[C@H](CCCCCCC)OCCC(=O)O 2291382153 ZSONFMZHIGDPKV-MQDFFIGUSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@]1(C)CCCS1 2292645884 SIEFWROYTDXEFB-SJORKVTESA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)c1ccc(Cl)cc1 2292708178 CVXHMYFOHGQWMX-HNNXBMFYSA-N 296.794 4.619 30 10 CJEE C=CCCC[C@@](C)(OCCCN)C1CCC(C)(C)CC1 2292737947 SXBDLPHBMBSISC-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)C(C(C)C)C(C)C 2292802925 IKDKDTVPMDTPLO-SFHVURJKSA-N 283.500 4.785 30 10 CJEE C=CCCCCC[C@H](OCCN)[C@@H]1CCCC(C)(C)C1 2292906643 QQIYJGOTQOPBRI-SJORKVTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1C(C)C 2293721724 OZAGXUWSPPDAMX-KSZLIROESA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCN)C1CC=CC1 2293853879 CKGAXAWBIHNMCT-GOSISDBHSA-N 279.468 4.603 30 10 CJEE C=C[C@H](C)C[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC 2294723621 RZINRYKAYXJLFW-KPZWWZAWSA-N 273.464 4.571 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccc2cc(Cl)ccc2n1 2294976766 MTSQFBPYZKERMC-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CCCC(F)F 2295601889 UZGSSBVASGYTSC-MRXNPFEDSA-N 292.410 4.883 30 10 CJEE C=C=CCC[C@H](NC)[C@](C)(O)CCCCCCCCC 2295684268 KAOKFQDOOHXPKL-ZWKOTPCHSA-N 281.484 4.587 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc(C)c1Br 2301047859 FYCYGGUDDBUSKC-HNNXBMFYSA-N 295.220 4.559 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cccc(Cl)c1 2307102106 VEVLDALVCUQPES-AWEZNQCLSA-N 272.841 4.701 30 10 CJEE FC(F)(F)C(F)(F)CCCCCCCC[C@H]1CO1 2319584741 YARBBODJSSYVAP-JTQLQIEISA-N 274.273 4.704 30 10 CJEE C[C@@H]1C[C@](C#N)(CC[C@H]2CC[C@H]2C2CC2)CCS1 2319738624 QLKKIXSPCSMBBI-OJLVUWQFSA-N 263.450 4.628 30 10 CJEE CCCCCCCC=C1CCCN[C@@H]1C(F)(F)F 2320946259 OGZYEIYOAQOSCL-ZDUSSCGKSA-N 263.347 4.588 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1ccc(Cl)cc1Cl 2321223574 HGLIHINEQRDQIR-CABCVRRESA-N 287.230 4.889 30 10 CJEE C#CCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2325206585 HQICQVHIZNHTFW-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1C[C@H](F)C1 2327430509 QFDLMHYDPMOCSV-BZUAXINKSA-N 257.437 4.853 30 10 CJEE CC(C)c1ccc(C(=O)C=C(O)c2ccccc2)cc1 2333222135 XXXPDVBEABWMIF-UHFFFAOYSA-N 266.340 4.592 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2337066862 BXMQURPDIFEOLW-DISONHOPSA-N 263.469 4.782 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2338737844 HKOSNEGYGRHJCM-IDCNUPLLSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC)CCCC(F)(F)C1 2338743636 HGYKOLAGCVBPAC-HNNXBMFYSA-N 271.395 4.560 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1csc(Cl)c1OC 2338748461 BHYWWFKBUCDUOD-ZDUSSCGKSA-N 299.867 4.829 30 10 CJEE Fc1ccc(COCCCCCCS)c(C2CC2)c1 2339218812 DSYCLTJIQZTOJN-UHFFFAOYSA-N 282.424 4.710 30 10 CJEE COCCCCCC(=O)C1=CC[C@H](C(C)(C)C)CC1 2341325972 UNLNRYPGOFJDEP-HNNXBMFYSA-N 266.425 4.535 30 10 CJEE C=C(c1ccccc1)[C@H](CCC[C@H]1C[C@H]1C)NCC 2341498201 SZSFZPVBKNPFBF-JLSDUUJJSA-N 257.421 4.504 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)C1CCC(C(C)(C)C)CC1 2341890298 WTSHGLUQLIFRBI-SJJHQCBESA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@](O)(CC)c1ccc(C(F)(F)F)cc1 2343779693 SBZZBTABKJWLFQ-BXUZGUMPSA-N 272.310 4.515 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC 2344339407 JAGPDHYTIFZMBK-QAETUUGQSA-N 261.453 4.559 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@]12CCCC[C@@H]1CC2)NCCC 2344341800 FGZKYNKXOCWZGF-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(F)ccc1C(F)F 2344357739 RZXSQONSDPDZLK-CYBMUJFWSA-N 271.326 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC 2344372879 WGQRHXNEAMKNOU-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(CC)cc1 2344376431 GIYNOIMRSNNWQU-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE CC1(C)CC[C@@H](CC[C@@]2(C=O)CCCC(F)(F)C2)C1 2344888173 HJCOXEULNMDGIG-ZFWWWQNUSA-N 272.379 4.988 30 10 CJEE C#CCCCCCCCOc1ccc(Cl)cc1C=O 2353014729 YHSNTEUWWJHFJA-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE C#C[C@@H]1CC[C@H](N[C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353059963 WPIBJCDAASHADH-XQQFMLRXSA-N 296.241 4.754 30 10 CJEE N#C[C@]1(CC2CCC(CC(F)(F)F)CC2)CCCS1 2353170791 YWDOAXKNVUWQNK-WXRRBKDZSA-N 291.382 4.925 30 10 CJEE C=CCCCCCCCCN(C)C1CC2(CSC2)C1 2353425551 ZRHCPQNJYCAPRW-UHFFFAOYSA-N 281.509 4.731 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)C[C@@H]2CC[C@H]1C2 2354291171 IPMAUNTWJYXKTQ-SOLBZPMBSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](O)[C@@H]1C[C@H]1CC 2357645476 ZHEDYGNXQNVKNK-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2358137320 KGXJDQVYUQMNRE-RRFJBIMHSA-N 289.385 4.527 30 10 CJEE C[C@H](Nc1ccc2sccc2c1)c1ccc(C#N)cc1 36976164 HCVVFGMGAXGVJD-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE N#C[C@@H]1CCCC[C@H]1Sc1ccc(Cl)cc1 37154014 MDNOZEYUXIRNIN-GXFFZTMASA-N 251.782 4.514 30 10 CJEE N#C[C@@H](C(=O)c1csc2ccccc12)c1cccc(F)c1 42891358 SSHXZZVYERCNKI-CQSZACIVSA-N 295.338 4.530 30 10 CJEE CCCCN([C@@H](CC#N)c1ccccc1)[C@H](C)CC 55020584 GQEDAJGWWCQRTF-WBVHZDCISA-N 258.409 4.542 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1cccc(Cl)c1 59100116 WBIMHGCILGEWPN-OAHLLOKOSA-N 277.795 4.877 30 10 CJEE CCCCCCCN[C@@H]1CCSc2ccc(F)cc21 59427196 NGFXGVOPMZAERB-OAHLLOKOSA-N 281.440 4.923 30 10 CJEE C[C@H]1CCC[C@H](Nc2cccc(OCCCC#N)c2)[C@@H]1C 68625319 YQNXHFPJPAJLET-DAYGRLMNSA-N 286.419 4.606 30 10 CJEE N#C[C@@H](CNc1cc(Cl)ccc1Cl)c1ccccc1 80748363 VEKCGIPBOKVYKU-LBPRGKRZSA-N 291.181 4.713 30 10 CJEE SCc1csc(-c2ccc(Cl)cc2Cl)n1 82686394 XIKZYWAAVJBBRZ-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCCC[C@@H]1C#N 91479331 DPTUXSVHZJYLRM-DGCLKSJQSA-N 282.309 4.508 30 10 CJEE CCC(CC)(CS)CO[C@H]1C[C@H](C)CC(C)(C)C1 94583998 HVPIZWRAFDPOGY-KBPBESRZSA-N 272.498 4.954 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(OCCCC)cc1 97417377 ZQIWTVSWMLDDFH-LJQANCHMSA-N 287.447 4.710 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1Cc2ccccc21 102970726 DGSSRTBQXWFJJI-NVXWUHKLSA-N 259.437 4.665 30 10 CJEE N#Cc1ccccc1/N=C1/CCCN1c1cccc(Cl)c1 103658005 JMYJQPJXJMGEQS-JZJYNLBNSA-N 295.773 4.542 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1csc(C)n1 103936348 FIWSOKDUERHUFL-INIZCTEOSA-N 283.481 4.886 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(OC)cc1)NCC 109728718 NNPPOFSASFOVHU-KRWDZBQOSA-N 277.452 4.576 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(N)cc2C#N)c1 109978724 CQGHPMILVIRVBO-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCO[C@H](c1ccc(C)cc1)[C@@H](N)CC 109987448 XBBMEBAYKIMCID-ZWKOTPCHSA-N 277.452 4.760 30 10 CJEE CCCCCCCCCCN(CCN)Cc1ccccc1 111236023 MQNWHPADVSYQKM-UHFFFAOYSA-N 290.495 4.588 30 10 CJEE CCCCCCCCC[C@@H](NN)C(C)(C)c1ccccc1 126134604 WQRIASPBSWRKCU-GOSISDBHSA-N 290.495 4.937 30 10 CJEE CCCCCCCC[C@H](Cc1cc(F)ccc1F)NC 126397566 DPEASMFJDSXAMC-MRXNPFEDSA-N 283.406 4.846 30 10 CJEE C=CCC[C@H](C)N[C@H](c1ccccc1)c1cccs1 130523475 ONISQRVBBLFVTF-WMLDXEAASA-N 271.429 4.782 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](OCC)C(C)(C)C 131700292 RHCJHFISAJHWPB-HOTGVXAUSA-N 271.489 4.776 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 135244628 QSIGFSOJXKQQAX-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CSc1cccc(Nc2cccc3cccnc23)c1C#N 136606200 CHZUXZNGOATPGJ-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CCSc1cccc(N(C)c2ccc(F)cc2)c1C#N 136654364 HDUOVDVTJWIEAC-UHFFFAOYSA-N 286.375 4.577 30 10 CJEE C=CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 156094985 FJJHCEWKGOKERH-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)C1 158995597 ONSWYWYWVDUIIB-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(OC)CCC[C@H](C)C1 159891354 FSPMRPUIOWKSHZ-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(CC)s1 161206269 LFWUYEMZXQSWDJ-AWEZNQCLSA-N 267.482 4.931 30 10 CJEE CC1(C)CCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164033544 KPGHGKHGOBASJV-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE C=C(C)CCOc1ccc(Cl)cc1CNC(C)(C)C 164384177 YJECOUAQUYXXNQ-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE N#C[C@H](c1ccc(OC(F)F)cc1)C1CCCCCC1 167855450 MFUQREJZZUNBRG-HNNXBMFYSA-N 279.330 4.866 30 10 CJEE CCCc1nc2ccccc2n1[C@@H]1CCCCC[C@@H]1C#N 168799686 KVAFCXRCRSSCNT-GDBMZVCRSA-N 281.403 4.634 30 10 CJEE Cc1ccc(Sc2c(C)cccc2C#N)c(C)c1 221494922 WGGDSNHBLNDFIC-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1ccc(Br)cc1C#N 229174145 YQPUOQKCRYHAHU-MNOVXSKESA-N 295.224 4.557 30 10 CJEE C[C@@H](CC(F)(F)F)Nc1ccc(C(F)(F)F)cc1F 231750033 POORDYYLULLKST-LURJTMIESA-N 289.194 4.597 30 10 CJEE CCCCCCCCCCCCC(=O)COCCOC 232927814 BHCTUWOADZEZOD-UHFFFAOYSA-N 286.456 4.530 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccccc1Cl 234461730 ULHCOHBUFAYKGD-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cc(Cl)ccc2Cl)cc1 235870492 STENWRUYCDPQEH-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C[C@H](C#N)[C@H]1CCCC[C@H]1c1ccccc1Br 251055298 UCCHJICDJQLOTG-JHJVBQTASA-N 292.220 4.883 30 10 CJEE Cc1cc(C(C)(C)CC#N)cc(F)c1OCc1ccccc1 260662209 RBJAFXXAOMTMIZ-UHFFFAOYSA-N 297.373 4.904 30 10 CJEE CC(C)(C)C#CCC(=O)Cc1c(Cl)cccc1Cl 302248082 JMCRPCUFCQXOAJ-UHFFFAOYSA-N 283.198 4.545 30 10 CJEE CC(C)CN(C[C@@H](CS)C(C)(C)C)c1ccccc1 311991100 PYSCMPDTFDBFEO-HNNXBMFYSA-N 279.493 4.741 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H](CC)c1ccccc1 312249891 VLYYLBAXNJUSKE-ROUUACIJSA-N 271.448 4.598 30 10 CJEE C[C@H]1CCC[C@H](CC2(C=O)CCC(C)(C)CC2)C1 317635651 XEKGEXKUPWTHMW-GJZGRUSLSA-N 250.426 4.988 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCCC12CCCC2 384063951 ZMEIGVMSCQWIDN-SFHVURJKSA-N 268.404 4.804 30 10 CJEE N#C[C@@H](CSc1nc2ccccc2o1)C1CCCCC1 397139063 WYYADPHYDCJUOD-ZDUSSCGKSA-N 286.400 4.640 30 10 CJEE CCCCCCCCN[C@H]1CC[C@H]2C[C@H]1C2(C)C 400248422 UOQKIEHOBDJKRX-XHSDSOJGSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@]1(O)CC[C@H]2C[C@H]1C2(C)C 400392929 DGIVUJXBYQFVSN-ZOBUZTSGSA-N 252.442 4.924 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2nccc3ccccc23)C1 401668565 PUVHHBPQWDFRMO-XPKDYRNWSA-N 282.412 4.655 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(C)C)c1cccs1 464441219 SYSNZKYNKFJKFQ-KGLIPLIRSA-N 279.449 4.554 30 10 CJEE CCCC(CS)(CCC)CN(C)CCC1CCC1 688688829 ADJZGSIVTRXOJH-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1sc(C)nc1C 692191843 UIYCCZMBMKWYMX-CFVMTHIKSA-N 278.465 4.545 30 10 CJEE CCCCCCCOCC[C@H](NCC)c1ccccc1 694991185 KVZSBBIUQSNANV-SFHVURJKSA-N 277.452 4.714 30 10 CJEE C=C1C[C@H]2CC(NCc3cc(C)cc(C)c3)C[C@@H](C1)C2 697271112 UNKFRAIKVPESJP-JJTKIYQPSA-N 269.432 4.528 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(F)cncc1F 699057415 SICQHKXQVAAINI-CQSZACIVSA-N 270.367 4.500 30 10 CJEE Cc1ccc(OC[C@H](CS)C2CC2)c(C(C)(C)C)c1 701997917 JMNDFTRYQDOTOT-CQSZACIVSA-N 278.461 4.627 30 10 CJEE CCC(CC)(CS)CN(C)[C@H]1CCCC(C)(C)C1 708603445 ZVXUXUNWROTSBT-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C[C@H](CCS)CCN1CCC(C2CCCCC2)CC1 708822075 JNJFGVLIHRVNHX-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1c(F)cccc1Cl 709115585 CUXYOWGQSCXEDF-WDEREUQCSA-N 295.785 4.728 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)[C@]12CCCC[C@@H]1C2 709205767 RULWFJSMVZSBMT-NORZTCDRSA-N 274.795 4.592 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 715812304 HGVCKYLQGBNRNJ-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CCCC(C)(C)NCc1cc2cscc2s1 717917422 VLRBDKSRVXSYBT-UHFFFAOYSA-N 265.447 4.797 30 10 CJEE CCCCCCCC[C@@H](NCC)C1C2(CC2)C12CC2 720321425 DSQJHDWFFGDZEZ-OAHLLOKOSA-N 263.469 4.905 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1ccccn1)c1ccccc1 883327113 RAFCWDBAKZTGMQ-VQIMIIECSA-N 280.415 4.830 30 10 CJEE CSc1ccc(C=Nc2sc3c(c2C#N)CCC3)cc1 1084212200 KVZHWBCFLSYVJN-UHFFFAOYSA-N 298.436 4.581 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCC(C)(C)c2ccccc21 1127623196 SMZGFFCSVGTQFP-HNNXBMFYSA-N 285.431 4.693 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCC(C)(C)C1 1129417023 XRRMPUASXWUFRE-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CC[C@H]1CCN(CC2CCC(C(C)(C)C)CC2)C1 1174891260 RMVAGQICTHDUNE-GTPINHCMSA-N 263.469 4.737 30 10 CJEE CC#CCCS[C@@H](C)c1cccc(Br)c1 1189423288 DZNISAWVVBXGBJ-NSHDSACASA-N 283.234 4.657 30 10 CJEE C#CCCCCCCOc1cc(C)ccc1Br 1189553717 LDMOYVVCWVESHH-UHFFFAOYSA-N 295.220 4.720 30 10 CJEE C=CC[C@@H]1N(Cc2cccc(Cl)c2O)CCCC1(C)C 1205567885 FEHIWBGCPKTBAZ-HNNXBMFYSA-N 293.838 4.612 30 10 CJEE C=CC[C@H](C)N1CCC(c2cccc3ccccc23)CC1 1307436652 FATIYPBHNNEFJI-INIZCTEOSA-N 279.427 4.984 30 10 CJEE C=CCC[C@H](NCc1csc(C2CC2)n1)c1ccccc1 1307627586 ZWDGCUGNWKHPRI-KRWDZBQOSA-N 298.455 4.818 30 10 CJEE C=CCC1(NCc2nccc(Cl)c2Cl)CCCCC1 1308003499 WKHAJCKWBXUJDZ-UHFFFAOYSA-N 299.245 4.757 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccccc2OC2CCCC2)C1 1308206988 DZEWJZUAMVYUNJ-FUHWJXTLSA-N 299.458 4.842 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)Cc1cccs1 1308858024 AMEXJRDPQWHXOW-INMHGKMJSA-N 277.477 4.794 30 10 CJEE C=CCC[C@@H](CC)N[C@H](Cc1ccccc1)c1ccccn1 1308969206 VOGKUENERJOXIK-UYAOXDASSA-N 294.442 4.700 30 10 CJEE C=CCN(c1ccccc1)C(=O)[C@H]1CC[C@H](C(C)C)CC1 1349733054 BVILSOUWBPMNEW-QAQDUYKDSA-N 285.431 4.668 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(C)c(Cl)c1Cl 1358051675 UVPDNSZQLCCIIW-SNVBAGLBSA-N 286.202 4.843 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C(C)C)oc2C)c1 1439929760 HSKPTOUYHFCRTC-UHFFFAOYSA-N 283.371 4.997 30 10 CJEE C=CC[C@@H](C(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1461457226 ZXJUPVHMASTADQ-VUHPKUFZSA-N 299.458 4.535 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1-c1cccs1 1463980886 YHXHFKHTWNIFDL-UHFFFAOYSA-N 285.412 4.956 30 10 CJEE C=CCCCCN[C@@H](c1ccccc1Cl)C(C)C 1473334709 IUWIMAZECTWUCG-MRXNPFEDSA-N 265.828 4.983 30 10 CJEE C=CCC[C@H](CCC)NCC(C)(C)C(F)(F)CC 1474665195 VUKXPIGPVGVRGW-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=C1CCC(C(=O)NCCCc2ccc(C(C)C)cc2)CC1 1521429558 RFUCDDZZJFFWLZ-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=CC1(CC(=O)N2CCCCc3ccccc32)CCCCC1 1526418794 WHCWMRLUWJUPLY-UHFFFAOYSA-N 297.442 4.883 30 10 CJEE C=CCN(C(=O)[C@@H](CC)CC1CCCC1)c1ccccc1 1532545449 QMIBEOLUCUKRNE-KRWDZBQOSA-N 285.431 4.812 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 1540694186 ISVTTWAOTUOHJJ-UHFFFAOYSA-N 292.382 4.725 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc(CC)c(CCC)s1 1583436657 HLSJDQXAIZCVCQ-CYBMUJFWSA-N 293.476 4.738 30 10 CJEE C#C[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)C(C)(C)C 1583585524 WCPBORVAFNXIME-QAPCUYQASA-N 279.468 4.537 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc2ccc(C)cc2c1 1585792314 CPLLCYDMWUKUGQ-AWEZNQCLSA-N 268.356 4.656 30 10 CJEE C=CCCCCCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 1587022145 YFYMTFGRMIIOEQ-OALUTQOASA-N 299.458 4.823 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 1587022148 YFYMTFGRMIIOEQ-RTBURBONSA-N 299.458 4.823 30 10 CJEE C=C(CC)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 1630779768 HUIVVRZLCZCRDQ-CQSZACIVSA-N 297.373 4.636 30 10 CJEE C=CCCCCN1CCC[C@H]1c1cccc(Cl)c1 1641532668 JXEFMOGUCIVMFA-INIZCTEOSA-N 263.812 4.833 30 10 CJEE C=C[C@H](C)NCc1sc2c(Cl)cccc2c1C 1650760454 AFNSXVJYOLQFNB-VIFPVBQESA-N 265.809 4.527 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC(C)C)cc1Cl 1652215917 OYKWFTIRBFGSEO-GFCCVEGCSA-N 267.800 4.894 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H](C)CCc2ccc(Cl)s2)CC1 1653059643 YLDBIFKNHWOVCQ-MGPQQGTHSA-N 295.879 4.504 30 10 CJEE C=CCCC(C)(C)CNCc1ccc2occc2c1 1656758578 AAAXPHBRMJKEES-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCc2ccc(Cl)cc21 1660404371 YOKWCCFWPAUYOJ-HOCLYGCPSA-N 263.812 4.662 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(-c2ccon2)cc1 1660762656 MDDNTBPOUFLRNV-HNNXBMFYSA-N 270.376 4.888 30 10 CJEE C=CCCCCCCN[C@@H]1CCCc2ccccc2C1 1662423080 YWRZYQXGUGVDDM-LJQANCHMSA-N 271.448 4.660 30 10 CJEE C=CCCCCCCCNC(=O)NC1CCCCCC1 1675694787 UFUSJBBKGJCQLR-UHFFFAOYSA-N 280.456 4.535 30 10 CJEE C=CC1(Cc2c3c(cc4c2CCC4)CCC3)CCC1 1878508753 ZEGPBRDYOUWXCO-UHFFFAOYSA-N 252.401 4.563 30 10 CJEE CCCCC[C@H](CC)N=C1NC2(CCCC2)CCS1 1879337377 WOBNLUYHVJHRDE-AWEZNQCLSA-N 282.497 4.741 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccc(C)cc1 1879648207 ULKDBNVWGZPUDZ-SFHVURJKSA-N 257.421 4.619 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1883319826 NBADXSFLVMJFHC-ILXRZTDVSA-N 273.411 4.713 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1C[C@H](C)O[C@H]1C 1883818004 ILWTZBPUKVPJRF-YESZJQIVSA-N 269.473 4.625 30 10 CJEE CC#CCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NC 1885238709 VYZYTFZVXASXJT-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C=C1CCC(C[C@]2(O)CCC3(CCCCC3)C2)CC1 1886404831 RQJDOZWETHHGNZ-GOSISDBHSA-N 262.437 4.988 30 10 CJEE CCCCCCCCN(C)c1ccc(C=O)c(C)c1 1887060803 JMRRMAHECXSQBS-UHFFFAOYSA-N 261.409 4.604 30 10 CJEE 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YXZHVAMNISQZKS-SJORKVTESA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@](CC)(OCCN)c1ccc(Cl)cc1 2293922204 RNKLDRVRTNDNKP-YOEHRIQHSA-N 295.854 4.523 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C1(SC)CC1 2293995899 ZPCKVBFPYVAVDZ-MRXNPFEDSA-N 299.524 4.533 30 10 CJEE CCCCCCCCC[C@@](C)(CO)NC1CCCCC1 2295531402 KYZPMWAPLAPLNO-SFHVURJKSA-N 283.500 4.800 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@@H]1CCC[C@@H]1CN 2295537488 ZSSLQWBLAATWRZ-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(CC(=O)O)[C@@H](N)CCC 2295537813 CPCVSHSLQSCFRR-DOTOQJQBSA-N 285.472 4.736 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1conc1CC 2295673253 GDWNVBDUWAHGLC-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@H](OC)C1(C)C 2295678939 LDHXZFSCWSHWTR-YESZJQIVSA-N 283.500 4.919 30 10 CJEE CCCCCCCCC[C@H](C)NCCC(C)(OC)OC 2295689309 OUHRVNOBFJUHGB-INIZCTEOSA-N 287.488 4.504 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CCCOCC1 2295691902 QMSLMEWXYKGJTI-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCC[C@H](CC)CSCC1(C)CC(C#N)(NCC)C1 2295765550 DXGIXWNCXMJIPP-GTPINHCMSA-N 296.524 4.608 30 10 CJEE C=CC[C@@H](C)Sc1sc(CNC2CCC2)cc1C 2313701099 GMCOULZBHAENQK-GFCCVEGCSA-N 281.490 4.755 30 10 CJEE C=CCCC[C@H](C)NCc1c(F)ccc(C)c1Cl 2314018897 VTSJTHMUJDJOTJ-LBPRGKRZSA-N 269.791 4.622 30 10 CJEE Cc1c([C@@H](O)CC#CC(C)(C)C)ccc(Cl)c1Cl 2316983131 LJGPNHSIRXKTBH-ZDUSSCGKSA-N 285.214 4.775 30 10 CJEE C=CC[C@@H](C)[C@@H](N)CC1CC(C)(C)CC(C)(C)C1 2321115401 FLMRGYLUPXHOPU-HIFRSBDPSA-N 251.458 4.769 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CC[C@@H](C)[C@H](C)C1 2321115852 HOUIFXAOWVVOJT-KLHDSHLOSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H](CC)CC(F)F)NC 2321128962 XYESTGDBRNEEGX-YDHLFZDLSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC[C@@H]1CCCC1(F)F 2321139323 YPSNJAAFWHCQSQ-JSGCOSHPSA-N 258.352 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@@H]1C1CCCC1 2321219191 GMZMAOMMJKAFDF-HZMVEIRTSA-N 250.426 4.556 30 10 CJEE C[C@@H]1C[C@@](C=O)(CC[C@@H]2CCC(C)(C)C2)CCS1 2321640862 YPXVZFVUYLVYJZ-IJEWVQPXSA-N 268.466 4.694 30 10 CJEE C=CCCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NC 2325254840 ZBAMBKXNQDYXDS-NSHDSACASA-N 290.209 4.619 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1 2332700123 NVRGVXHYCSOQOO-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c(C#N)cc1F 2337081754 BYHXTGRHFDTOTR-IINYFYTJSA-N 278.758 4.507 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccccc1F 2337113275 HKDXRZONQQRWFR-KBRIMQKVSA-N 261.384 4.611 30 10 CJEE CC#CCCCC[C@H](NC)c1ccc(F)c(C)c1Cl 2338554347 LZUUIGHUECHXMG-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc(F)ccc1C(F)F 2338751125 ZGYDJSZTOHUIIY-AWEZNQCLSA-N 270.294 4.565 30 10 CJEE SC[C@H](COC[C@H]1C[C@H]2CCC[C@H]1CC2)C1CCC1 2338918248 MTQYVEPIOCTOOV-LLLHUVSDSA-N 282.493 4.566 30 10 CJEE C#CC(C)(C)C[C@H](CCC1=CCCCC1)NCCC 2340322275 SFNJACIYYZINHG-KRWDZBQOSA-N 261.453 4.685 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCC1=CCCCC1 2341090719 FZYTVQYMJOEVSM-MSOLQXFVSA-N 261.453 4.992 30 10 CJEE CC(C)=CCC[C@H](C)OCc1ccc(C#N)cc1Cl 2341731276 ZNPJUCZGNFISPU-ZDUSSCGKSA-N 277.795 4.863 30 10 CJEE C=C(C)C[C@@H](NCCC)c1nc(C)cc2sccc12 2341922045 ILXNTWJKIPHGEA-CQSZACIVSA-N 274.433 4.612 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C2CCC2)c1 2341930704 VLJCFYIWXOZJKT-GOSISDBHSA-N 257.421 4.961 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343133175 BTWOFIBPCSUOAQ-JHJVBQTASA-N 277.374 4.545 30 10 CJEE CC(C)c1cccc(C[C@@]2(C#N)CCC23CCC3)c1 2343789539 QZXJVYUIPKAKKQ-GOSISDBHSA-N 253.389 4.827 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(F)c(C)c1 2344342174 HWMJWGOWQKMHJB-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCCCOC)NCC 2344383569 IYDNJZXFSRQNOT-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)C[C@H](C)CC[C@@H]1C 2352000612 HACHYTHPXGXSRY-DVOMOZLQSA-N 282.449 4.520 30 10 CJEE C#CCCCCCCCOc1ccc(C=O)cc1Cl 2353001814 MWZZMQQZYCFEIZ-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2357777356 UIECXMBJXZCQMS-BVBHFADKSA-N 270.416 4.966 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)c(C)c1 2360199803 BSCQLSIZPJNWRL-RHSMWYFYSA-N 295.467 4.873 30 10 CJEE C[C@@H](O)c1ccc(C#N)cc1SC[C@H]1CC[C@H](C)CC1 2360465116 APYKMPKOGQVHDP-MGPQQGTHSA-N 289.444 4.530 30 10 CJEE CC(C)N[C@](C)(C#N)C[C@@H](C)SC[C@H]1CC[C@H](C)CC1 2360512659 MCJFASNPJOHALG-VQHPVUNQSA-N 296.524 4.605 30 10 CJEE Fc1ccc(/N=C/c2ccc3ncccc3c2)c(Cl)c1 9440081 WUVLRGKDISPXLQ-KEBDBYFISA-N 284.721 4.778 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccccc1C#N 21009072 ZYEILHBBQLYVEC-GOEBONIOSA-N 256.393 4.575 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C(F)(F)F)cc2)c1 37936746 LTPHXAHDMSAJSA-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cccc(C(F)(F)F)c1 37970192 VEFKMDVYANWYGB-HNNXBMFYSA-N 296.336 4.582 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1cc2ccccc2o1 50429599 WUGVXPJBUHRYRA-CYBMUJFWSA-N 276.339 4.786 30 10 CJEE CCCCCCC[C@H](N)Cc1nc2ccccc2s1 59082617 FJKMNQBIIBHBMZ-ZDUSSCGKSA-N 276.449 4.527 30 10 CJEE CCCCCCCOc1ccccc1[C@H](C)NCC 59179024 TXXDNSCKTOTMEG-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE Cc1ccc2c(C#N)c(Cl)n(Cc3ccccc3)c2c1 71466393 QKRLWBUTAPZOSL-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCc1oc(-c2ccc(OC)c(Cl)c2)cc1CC#N 77081832 BWCDNDXDQFKHSF-UHFFFAOYSA-N 289.762 4.627 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc2c(cc1Cl)CCCC2 107568963 BTOODIFCMCDGDK-OLZOCXBDSA-N 260.808 4.982 30 10 CJEE CCCCCCCCCC[C@@H](Cc1cccnc1)NC 109740700 LDNYJZQHFIRRRL-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCOc1ccc(CNC)cc1Cl 110095679 HJLBANWACXMNNY-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(F)c1 110446496 OQFHPKWHBFSZFT-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE CCCCCCC[C@H](O)c1cccc(Br)c1 112885502 SDOXRNBLXWVDEB-AWEZNQCLSA-N 285.225 4.843 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@](C)(CC)C1 114054923 VAXUMWKAYZWJOS-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCC[C@H](CSC(C)C)NCC 115644699 DKAHZCFSMRNBQX-OAHLLOKOSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](CC)OCC 122225599 ZWESQRLBYYILMW-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CC[C@H](C)c1ccc(NCc2ccc(C#N)s2)cc1 125112646 BXDIPYGQBXPPHW-LBPRGKRZSA-N 270.401 4.745 30 10 CJEE CCCCCCCOc1nc(CC)nc(NCCC)c1C 125317423 OZDRBRMQZOXSFZ-UHFFFAOYSA-N 293.455 4.519 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(F)ccc1F 126287348 AAOAIUZPZLFIFH-INIZCTEOSA-N 284.394 4.610 30 10 CJEE CCCCCCCCCn1nc(CC)c([C@@H](C)N)c1CC 130935259 CMAOURZEBARAOB-OAHLLOKOSA-N 293.499 4.778 30 10 CJEE CCCCCCCCc1ccc(Br)cn1 139779292 GFSXTGBVTLMSMV-UHFFFAOYSA-N 270.214 4.747 30 10 CJEE C=C(CC)C[C@@H]1CCCCC[C@@H]1CNCC(C)C 155866399 UPGDYZVBMAVUEA-DLBZAZTESA-N 251.458 4.785 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 156229266 QKTKFCYCSJHCLM-ARFHVFGLSA-N 251.458 4.641 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1cc(F)cc(C#N)c1 163700614 ZETIZLOTICXKCK-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@@H](C)c2ccccc2C1=O 164058431 URZVTJIGBDVSHF-RHSMWYFYSA-N 286.415 4.922 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(C)c(F)cc1F 167678697 XLCISCXTBKNZDA-MRXNPFEDSA-N 267.363 4.670 30 10 CJEE CCCCCCCCCCCOCCNC(C)C 168774711 BWSNJNGEKZZWFV-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncc(Cl)s1 223148704 NUIPDXCSVNYDLH-LLVKDONJSA-N 275.845 4.971 30 10 CJEE CC(C)c1ccc(Sc2cccc(C#N)c2)cc1 227637535 KYKNPXMQDKTPHU-UHFFFAOYSA-N 253.370 4.833 30 10 CJEE CCCCCCC[C@H](NC)C(C(F)(F)F)C(F)(F)F 232924482 VJRXBTGUEMGKQV-VIFPVBQESA-N 293.295 4.676 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](OC)C1CCCCC1 233605231 JVHXVSNUYCDUEP-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccccc2Cl)cc1C 235908572 KRCLDZCIBNQFLB-QGZVFWFLSA-N 284.790 4.942 30 10 CJEE C=CCCC[C@@H]1C[C@H](CC)CC[C@H]1CNCCC 250792243 KIHAWMRVXKLKAI-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(CC)NC[C@H]1CC 250827527 OKHRAEKLAJLOFU-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN1CCC(=NO)[C@@H](CC)C1 253284597 NAFJLTHIKCOABX-INIZCTEOSA-N 282.472 4.689 30 10 CJEE COc1ccccc1N=Cc1ccc2ccccc2c1 254573549 SGYURGRDDYQCOT-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE CCCCCOc1ccc(C=Nc2ccccc2O)cc1 254583976 XLBOTNIBBVGETK-UHFFFAOYSA-N 283.371 4.712 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1(CC)CC1 297683749 GJRGTUPVQLBWJN-UHFFFAOYSA-N 286.419 4.603 30 10 CJEE C=CCCC(=O)N(CCCC)[C@@H](CC)c1ccccc1 303624046 XLWWVRHIMMDNRG-KRWDZBQOSA-N 273.420 4.733 30 10 CJEE Cc1cc(C)c([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c(C)c1 307042120 RUXRPKLPLYMYHP-HUUCEWRRSA-N 286.224 4.562 30 10 CJEE C=C[C@@H]1CN(Cc2ccccc2)C/C1=C(/C)c1ccccc1 309960373 YAUINZKUWQTLCN-OXMAITBSSA-N 289.422 4.778 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2ccc(Cl)c(Cl)c2)O1 310386599 COURITYAWITLFZ-GWCFXTLKSA-N 270.159 4.517 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCCC1(C)C 311851181 OYILNXCIBXQFAP-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)cc(C)n1 311981557 SWUZPNUCOFMCSG-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2ccnc3cc(Cl)ccc23)C1 312464262 QFOSSHFMBUGEAS-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H]2CCOC3(CCCC3)C2)C1 312465719 FBKMGSYTNYRQAT-IXDOHACOSA-N 275.436 4.836 30 10 CJEE CCC1CCC(C#N)(COCCC(C)(C)C)CC1 328155834 GNGBVUPCFSWLHS-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CC(C)[C@@]1(C)CSC(=Nc2cccc3ccsc23)N1 398499692 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CC[C@H](C)c1ccccc1OCc1ccc(C#N)cc1F 21508729 XENMJIAVBIBLRH-ZDUSSCGKSA-N 283.346 4.790 30 10 CJEE COc1ccc(/C=C2\C(=O)[C@](C)(C(C)C)CC[C@H]2C)cc1 33154760 KTSURIDWSSTAAA-DKPKIFAVSA-N 286.415 4.740 30 10 CJEE C[C@@H](CC(C)(C)c1ccccc1)Nc1ccccc1C#N 37203002 DPMXPKVFBNSDRJ-HNNXBMFYSA-N 278.399 4.727 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 37212140 QWBCSVYTEPEVOJ-RBUKOAKNSA-N 276.383 4.697 30 10 CJEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(C)cc1 51635492 NDSHBYFRIVSXRP-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE CCOc1ccc(OCCC[C@@H](C#N)c2ccccc2)cc1 57684536 ZSJZENJEMZUYQS-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2C)cc1C 57687020 UZFUXPLZQOXFTK-GOSISDBHSA-N 293.410 4.997 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2cc(C)ccc2C)c1 57695087 CXTVHAHBPFFEKC-KRWDZBQOSA-N 279.383 4.688 30 10 CJEE Cc1cc(C)c([C@@H](C#N)CCc2ccccc2)c(C)c1 57696004 QXNHLXRXUQRPBM-GOSISDBHSA-N 263.384 4.852 30 10 CJEE CCc1ccccc1OCCCC(C#N)(CC)CC 57714541 RLIUVCCYCGMBSO-UHFFFAOYSA-N 259.393 4.738 30 10 CJEE COc1ccc(C(C)C)cc1C[C@H](C#N)c1ccc(F)cc1 57761194 GZYLUEJVZALBBM-QGZVFWFLSA-N 297.373 4.808 30 10 CJEE CCCCCCCN[C@@H]1CCCC[C@@H]1C(F)(F)F 59462162 TYJZGVCOBPAUER-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1C(=O)N(C)C 59471623 MSEGREKECJUIGX-HNNXBMFYSA-N 290.451 4.549 30 10 CJEE CC(C)(C)c1nn(-c2ccccc2)c2c1[C@@H](CC#N)CCC2 82825742 PHBMJHDJWXBNJK-CQSZACIVSA-N 293.414 4.503 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87930369 MSRBSGAOBNBBRR-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE C=C(C)C[C@@H](NCCC)C1CCC(C(C)C)CC1 92129835 QKMMKZIVJUPLQY-OFLPRAFFSA-N 251.458 4.783 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H](CC#N)c1ccccc1 94848792 GFAHZAKCFZCNPL-IBGZPJMESA-N 284.447 4.932 30 10 CJEE C[C@@H](OCCCCCCCCCS)C(F)(F)F 97799845 NPGMNEUXZCGYLW-LLVKDONJSA-N 272.376 4.614 30 10 CJEE CCCCCCCCCCNCc1cccc(C)n1 104017583 OPYYZKKDONNWCN-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE CCCCCCCCCCCCNC1CCN(C)CC1 105806371 JJFALJASOQJWDC-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(OC)cc1Cl 107667540 RHPVQDFZDGYHHV-RYUDHWBXSA-N 250.769 4.502 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](NC)C1 109687901 UOBLDNDSTBCOBE-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@H](C)C1 109901124 NVPMYRPFMRQBNW-KBPBESRZSA-N 261.434 4.955 30 10 CJEE Cc1ccc(N(C)c2ccc(C(F)(F)F)cc2C#N)cc1 110257752 LDFMCEFZSPQPKM-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCCCCCCCCN1C[C@@H](CCN)c2ccccc21 110518195 HLMMWNOKRVGXJX-QGZVFWFLSA-N 288.479 4.690 30 10 CJEE CCCCCCCN(CCC)[C@]1(CN)CCC[C@H](C)C1 110520330 QELPLXNGJNJFLF-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCN1C[C@@H]([C@@H](C)CC)NCC12CCCC2 115239151 OVOBUFITAVTMSC-ROUUACIJSA-N 294.527 4.590 30 10 CJEE CCCCCCCC(=O)CSc1cccc(F)c1 116702020 VQZAZHHSRAVMPV-UHFFFAOYSA-N 268.397 4.847 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@H](C)N(C2CC2)C1 123782372 NTWGKZREPUIHLD-WMZOPIPTSA-N 281.484 4.505 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(OC)c1F)NCC 123861497 XDFLMZRISHYEPM-INIZCTEOSA-N 295.442 4.715 30 10 CJEE CCCCCCCO[C@@H]1CCC(C)(C)[C@@H]1NCCC 123875537 CTKVBNSISTXYQR-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(F)cc1C)NN 125155972 GCPSHMVYGKXFHM-GOSISDBHSA-N 294.458 4.649 30 10 CJEE CSc1ccc(CNc2cc(C#N)ccc2Cl)cc1 125714208 AAFDYKPNVBDPBA-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c3ccccc23)cn1 125904847 VKPRMKIDYOTFQE-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)Nc2ccccc2F)CC1 130050810 IFOUPMCIZGVHJE-MQBCKMQZSA-N 288.410 4.982 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(C(F)F)cc1 131481828 AZXGATWKONJPHM-AWEZNQCLSA-N 292.716 4.954 30 10 CJEE C#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 133173765 GKWCQFTXRVOGJM-IKGGRYGDSA-N 277.496 4.867 30 10 CJEE CCCCCCCN(CC)CCCCc1ccc(N)cc1 139242401 OHQPVBCPZDSVEO-UHFFFAOYSA-N 290.495 4.884 30 10 CJEE CCCCCCC[C@@H](CCc1ccccn1)NCCC 139555418 RDLZXNADDODLNB-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE C=CC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC(C)C 156155191 KMNKMPUKCOKCLG-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 163957503 FFYBNTGFAARTRK-ABAIWWIYSA-N 296.336 4.958 30 10 CJEE CC#CCC[C@@H](CSc1ccccc1Cl)NCCC 168173722 PJBKXCWOOVQZIV-AWEZNQCLSA-N 295.879 4.604 30 10 CJEE C=CCc1cccc2c1c(CC=C)cn2C(=O)OC(C)(C)C 196046071 POTPZUILOIAKRX-UHFFFAOYSA-N 297.398 4.882 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C)c1cccc(Cl)c1 221027722 QILFHXZEEZWGQI-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCC[C@H](Cc1ccoc1)NCCC 229201374 QFSRMSRHBWYJGL-QGZVFWFLSA-N 265.441 4.941 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1/C=C/C(=O)O 236449565 SDSLJJWDVJMHBF-JXMROGBWSA-N 294.778 4.563 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC(C)C)NC[C@H]1C 250824742 MWZVLMDAFQENSS-RTBURBONSA-N 296.543 4.836 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCC[C@H]2C(C)C)C1 251704974 QVOKBOPCJAJZKI-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252180888 QACOLCUZFZETFJ-RSJGLCBASA-N 290.495 4.851 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 253046243 PSEWFKPZBPVMGH-ZBRFXRBCSA-N 283.500 4.775 30 10 CJEE CC(C)(C#N)c1cc2ccccc2n1C1CCCC1 260118297 SMZCWYQEVJCSJY-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE C=CCC[C@@H](C)NCc1ccccc1OCc1ccccc1 309926358 XKVUIMGXRCWZOY-QGZVFWFLSA-N 295.426 4.710 30 10 CJEE C=C([C@H](NCCC)c1cc(Cl)ccc1F)C(F)(F)F 311880972 BMZQZYJEJZQOEB-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE N#C[C@@]1(C[C@H]2CCC(F)(F)C2)CCc2ccccc2C1 312130991 QZEMZPXOFTWASS-CZUORRHYSA-N 275.342 4.511 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2cc(Cl)sc2Cl)O1 312672663 QOLLMFFEYFAPMR-KCJUWKMLSA-N 276.188 4.579 30 10 CJEE CCC(=O)c1cccc(Oc2ccc(C#N)cc2Cl)c1 312815650 KNXKUBFJJBFVGO-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C=C([C@H](NC)[C@@H](c1ccccc1)[C@@H](C)CC)C(F)(F)F 312875543 UBZUSZVVMBQHHD-GLQYFDAESA-N 285.353 4.523 30 10 CJEE C=CCCCCC[C@]1(CNC2CC2)C[C@H]2CC[C@H]1C2 317617153 PTNUXXNWIIHSCO-XYJFISCASA-N 261.453 4.681 30 10 CJEE CCCCCCCC1(CNCCOC)CCC(C)CC1 318499932 JEWHKFBVEXKAMX-UHFFFAOYSA-N 283.500 4.779 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C#N)CCc2ccccc2C1 383236358 DHAQPDSCLJPBQP-ATZDWAIDSA-N 267.416 4.902 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2CCCC[C@@H]2O1 393518670 RMPCBVVKYGXQNW-SQNIBIBYSA-N 281.484 4.674 30 10 CJEE C=CCSc1ccccc1NCc1ncc(CC)s1 394926748 FZNYIIMQERWCOR-UHFFFAOYSA-N 290.457 4.596 30 10 CJEE C=CC(C)(C)COCCC(CC)(CC)CNC(C)(C)C 395615796 OTKDMWYMXFWWRV-UHFFFAOYSA-N 283.500 4.800 30 10 CJEE CC[C@@H](CC1(C#N)CCC(C(C)(C)C)CC1)OC 397025438 ULQUVPZFBNMIPH-BBBYJDLNSA-N 251.414 4.548 30 10 CJEE C=CCCC[C@@H](O)c1cc(Br)c(Cl)s1 404248667 KOIAKLZFFBACJY-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)NC(=O)OC(C)(C)C 405711145 ISEMXOKMRFTQQE-CQSZACIVSA-N 299.455 4.609 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CC)[C@H](CC)c1ccccc1 464547416 JBDQLXRTJJEUNR-DOTOQJQBSA-N 273.420 4.589 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 485704413 KKZWDZMYOTUZQZ-AVGNSLFASA-N 274.433 4.548 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(Cl)cc1 686681213 MKJHNHWCFLQWSD-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)s1 686697720 QGCRTOPLNIWWMZ-LBPRGKRZSA-N 269.841 4.636 30 10 CJEE Cc1cccc(N[C@@H](C)CC2CCCCC2)c1C#N 689808301 NWLLZEDSOBSBTA-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CCSc1cccc(NC[C@H](C#N)C2CCCCC2)c1 690128916 HYMOONLVCWHRKC-HNNXBMFYSA-N 288.460 4.931 30 10 CJEE N#Cc1cc(F)cc(Nc2ccc(C3CCC3)cc2)c1 690283690 NHCDGZIIVXPBCS-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 692227597 QPTIDZICYHJGRS-SWLSCSKDSA-N 274.795 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 692227724 SARRTDJKEMXVGB-BCDMZGRMSA-N 275.480 4.926 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CCC2(CC1)CC2 695626032 KMHBMIMRTPIYIW-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1ccc(Cl)cc1C#N 695735922 CLBBNLQKZCQCBJ-INIZCTEOSA-N 284.790 4.645 30 10 CJEE Cc1cc(C(C)(C)C)ccc1O[C@@H](C)CC(C)(C)C#N 695862371 DSSJIYKYVLYSRW-AWEZNQCLSA-N 273.420 5.000 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(C(C)(C)OC)cc1 700538925 OJCYMWBVZHXDTJ-QGZVFWFLSA-N 278.436 4.962 30 10 CJEE C=CCCC(C)(C)CNCc1cc(Cl)ccc1F 704039127 YJVIMPBVSAHUEV-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1COC[C@H]1C 705165039 HTAGGNAOQRDPDH-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@]34CCCC[C@H]3C4)C[C@@H](C1)C2 708881336 VHFMNWDZHOKFHI-ZXIMWCNSSA-N 273.464 4.680 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2ccc(Cl)cc2C)C1 710741033 PSRHBLAXSMNNIW-COXVUDFISA-N 293.838 4.556 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@H](CC)C(C)(C)C 711085926 YURYDKXRJSKOPA-JKSUJKDBSA-N 265.485 4.867 30 10 CJEE C#C[C@H](CC)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716024772 BLRFDWLIOQDSPL-SNVBAGLBSA-N 295.226 4.548 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716464737 PXCLQUQRJQQWQM-HHARLNAUSA-N 251.458 4.747 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716637126 OQRDDTASGZZOSK-QZWWFDLISA-N 251.458 4.619 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)cc2OC)CC1 724556308 MCXLUXXMCYCEFY-HNNXBMFYSA-N 280.795 4.519 30 10 CJEE C=C1CCC(C[C@@H](Cc2cccc(Cl)c2)NCC)CC1 724574486 DDCGOUWLNXPKPF-SFHVURJKSA-N 291.866 4.997 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C(C)C)cc2)CC1 724575733 QQXKJVTYWIGSHC-GOSISDBHSA-N 257.421 4.946 30 10 CJEE C[C@@H]1CC(C)(C)C[C@]2(C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 725352092 RKEXLVQYMUZVDQ-IIYDPXPESA-N 278.245 4.685 30 10 CJEE C=CC[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccncc1 783243803 CCEPIERAIWXDBS-AQNXPRMDSA-N 292.426 4.625 30 10 CJEE Cc1ccc(C)c(C=NNc2ccc(C(F)(F)F)cc2)c1 1084350492 NLMNHOLYAUYYTF-UHFFFAOYSA-N 292.304 4.768 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 1124570288 YKWBXENZHYDILO-BEFAXECRSA-N 287.447 4.980 30 10 CJEE C=CCC1(C(=O)Oc2cc(F)ccc2Cl)CCCCC1 1128379073 NDBYEFRFOKRFJY-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C(C)C)c1C#N 1162068024 FNMRECOCTOAZEG-MRXNPFEDSA-N 299.805 4.724 30 10 CJEE C=CCN(Cc1ccc(F)c(Cl)c1)c1ccccc1 1180971040 ZWUPDNCGTKXWHM-UHFFFAOYSA-N 275.754 4.672 30 10 CJEE CCCCCCCCN1CC[C@@H](c2ccccc2)C1 1190572593 WHBJHSQXORKFBI-GOSISDBHSA-N 259.437 4.836 30 10 CJEE C#Cc1cccc(N(CC/C=C/C=C)Cc2ccccc2)c1 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4.718 30 10 CJEE CCCCC#CCN(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2239201242 TZHQRLOQKOEEGI-CEXWTWQISA-N 275.480 4.718 30 10 CJEE CCCCCCCCCO[C@@H](CN)c1ccccc1C 2239485925 ARYLQZWARYGGDK-SFHVURJKSA-N 277.452 4.762 30 10 CJEE CCCCCCCCCCOCc1cc(C)cc(N)n1 2239490603 SFLAJKDRMCFWPM-UHFFFAOYSA-N 278.440 4.630 30 10 CJEE CCCCCCCCCOCCN[C@@H]1CCCC[C@@H]1C 2239492505 KRYYMGLHSOGMKK-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCO[C@@H](C)CNCc1cccs1 2239492960 OOPJOJKWVJNZDT-INIZCTEOSA-N 297.508 4.993 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(F)c(C)n1 2239560262 ZLXBXTHPBFXNIQ-INIZCTEOSA-N 280.431 4.930 30 10 CJEE CCCC[C@@H](CC#Cc1ccc(CCC)cc1)NCC 2239735728 JTGPZYVXMDOHHX-IBGZPJMESA-N 271.448 4.549 30 10 CJEE CCCCCCCCOc1ccnc2ccc(N)cc12 2239757270 YOHWSWAZASTLHA-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE C=CCC(C)(C)Oc1c(CN[C@H](C)CC)sc(C)c1C 2240079537 OVAMSUXWHVJNBY-GFCCVEGCSA-N 295.492 4.987 30 10 CJEE CCCCCCCC[C@]1(C)C(=O)CCN1C1CCCC1 2240573012 IYCVCCCIBNZXIP-GOSISDBHSA-N 279.468 4.713 30 10 CJEE N#C[C@@]1(Cc2coc3ccccc23)CCCC(F)(F)C1 2241141903 FVRSNDOJIJAQGK-OAHLLOKOSA-N 275.298 4.695 30 10 CJEE O=CC1(Cc2cccc3ccoc23)CCC2(CC1)CC2 2241177749 MXCMAFJYOKUHRZ-UHFFFAOYSA-N 268.356 4.515 30 10 CJEE C=CCCS[C@H](C)C(=O)c1ccc(Cl)cc1Cl 2250028220 JUTNVEJRKFYYNC-SECBINFHSA-N 289.227 4.874 30 10 CJEE SCCCCCCCOC1CC2(CCCC2)C1 2252613323 RYFAADYQHTVQEI-UHFFFAOYSA-N 256.455 4.606 30 10 CJEE C=CCCCC[C@@H](N)c1ccc(C(F)(F)F)s1 2252700351 JWAMDZPVRIAHHY-SECBINFHSA-N 263.328 4.513 30 10 CJEE C=CCCCSc1c(CNCCC)sc(C)c1C 2259051543 NXYPHORIGDVXLF-UHFFFAOYSA-N 283.506 4.923 30 10 CJEE C=CCCCCCCCSC[C@H]1CC(C)(C)CN1 2259058329 JDUYXHNOYAIMTJ-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@@H](O)C1(CC(F)(F)F)CCC1 2259236642 FGHYSLULSUOLLS-GFCCVEGCSA-N 264.331 4.607 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](CC)CCC)CC1 2259438813 RJZXUAVOCCHQDR-DLBZAZTESA-N 251.458 4.927 30 10 CJEE CCC(C#N)(CC)C(=O)Nc1cc(Cl)c(Cl)cc1C 2266736889 XIGFCWXIYRIGBR-UHFFFAOYSA-N 299.201 4.570 30 10 CJEE CC(C)(C#N)CCCCNC(C(C)(C)C)C(C)(C)C 2266911154 QVYYSERCHHAUNV-UHFFFAOYSA-N 266.473 4.757 30 10 CJEE C=CCCCCCC[C@H](O)c1c(F)cc(C)cc1F 2268168025 XMUXUVHZAMYYPV-HNNXBMFYSA-N 268.347 4.833 30 10 CJEE C[C@@H](CC=CC#CC(C)(C)C)C(=O)c1ccccc1 2268753862 BZXCPZLBUZQELF-HNNXBMFYSA-N 254.373 4.501 30 10 CJEE CCN(CC=CC#CC(C)(C)C)C1CCCCCC1 2268837098 YCZWDUAZWCEIPV-UHFFFAOYSA-N 261.453 4.637 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC=C(C)C 2268840502 YCKOVSUBHMMMHW-KRWDZBQOSA-N 261.453 4.707 30 10 CJEE C=CCCCCCC[C@@](C)(O)c1ccc(F)cc1C 2269677338 DTUVQBVIYAXVNB-QGZVFWFLSA-N 264.384 4.868 30 10 CJEE CCCCCCCCC[C@]1(F)[C@H]2CC[C@@H]1C[C@@H](N)C2 2270334201 FWTUDXZSKXHOQA-DSPLQEQRSA-N 269.448 4.983 30 10 CJEE C=CCCCSc1ccc(CNC2CCC2)c(C)c1 2271598915 LDCUTOMJQOAFMW-UHFFFAOYSA-N 275.461 4.695 30 10 CJEE CCCCCCCO[C@H]1[C@@H](O)C(C)(C)CCC1(C)C 2274480832 UGDQQEYPSITMPN-CABCVRRESA-N 270.457 4.549 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H](CC)CCC 2276147781 MENHDEVXURDMBK-SJORKVTESA-N 269.473 4.683 30 10 CJEE C/C=C/CCC[C@H](CCCCCCC)OCCCN 2277423931 UDYFGSQSZFVGHF-UKINESCASA-N 269.473 4.827 30 10 CJEE C=CCCCCC[C@@H](NC)c1nc2ccccc2s1 2277998314 IIEXGPNXHXYUGE-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CCCCCCCCC[C@H](C)NCC(C)(C)COC 2278240315 OUKODQAPQXRZGT-INIZCTEOSA-N 271.489 4.778 30 10 CJEE C=CCCCCCC[C@H](O)c1nc(C(C)(F)F)cs1 2278603601 XLYMOJXBTPEAST-NSHDSACASA-N 289.391 4.815 30 10 CJEE C[C@H]1CCC[C@H](CCN(CCC#N)c2ccccc2)C1 2279815191 MJMXPCDWCHCJAU-DLBZAZTESA-N 270.420 4.623 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc2cccnc2s1 2280201382 GYGFWGFUVYSQAV-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CC(C)[C@@H](CS)COc1cccc(-c2ccccc2)c1 2286833671 BHOHMLRYFNLXFH-QGZVFWFLSA-N 286.440 4.934 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)c1ccsc1C 2287392470 NZVZKDDCWPKSFR-IAGOWNOFSA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1COC(C)(C)C1)NCCC 2287416347 YIEVWFOUIOFTHD-SJORKVTESA-N 281.484 4.696 30 10 CJEE C#CC1(NCC[C@H]2CCC[C@H](C)C2)CC2(CCCC2)C1 2288205550 AQZNMCZNUDEMKE-DLBZAZTESA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CCC[C@@H](C)C1 2289703401 HOGJBAUPKBZYOX-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCCC2(C)C)c(F)c1F 2289812325 NEIQTUDTGLVEGB-QGZVFWFLSA-N 277.358 4.926 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H](C)C1 2289869807 UCBXQYIPTSZPNU-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1 2289900732 HACXYSXTWIWHNL-GUDVDZBRSA-N 274.448 4.538 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1ccccc1Cl 2290917037 FKUAKOVLIUZUHE-HNNXBMFYSA-N 298.810 4.843 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)C(C)=C(C)C 2291670713 ZNLRFYDASFOFDT-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@H](OCCC(=O)O)[C@H](C)CCC 2291672669 WJANLMBEMDUMFH-CVEARBPZSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)C=CCC[C@@H]1C 2291934635 WYUADBFPIYQVKG-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)[C@@H](C)C(C)(C)C 2292418072 OGZVDNVDEPHPSA-HUUCEWRRSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CCC[C@@H](C)C1 2292419524 VOJJRXLTCMECDR-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)[C@H](C)C1CC1 2292647718 QVDHTIHJULLADE-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)[C@H](CC)CCC 2292698181 FJPHECRAWWQHOM-HZPDHXFCSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCCCC[C@H]1CC 2292882371 NJIFUFQNMZERSD-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(Cl)C[C@@H](OCCCN)c1ccccc1C(C)(C)C 2292882713 QHBBXMGVRJYGSS-MRXNPFEDSA-N 295.854 4.533 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)c1ccc(Cl)c(C)c1 2293112263 SZUBPTJHQHJNRR-DYVFJYSZSA-N 295.854 4.657 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CCCC[C@@H]1C 2293426378 WNKPIOYSUKVPDF-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C(F)C[C@@]1(OCCCN)CCC[C@H](C(C)(C)C)CC1 2293630268 PQLDIHIQYGBCCU-DOTOQJQBSA-N 285.447 4.590 30 10 CJEE CCCCCCCC1(OCCN)CCC2(CCC2)CC1 2293677699 CHWGJIBHSTUWHW-UHFFFAOYSA-N 281.484 4.805 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CC12CCCC2 2293681584 APKJVWDDTLGTMG-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N(CCN)C1CCCC1 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CCCCCCC[C@](C)(N)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313184762 LCULQJZXXVGRFQ-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1C[C@@H](SC)C1 2314299623 AYWPNNOWNZMYFV-XHSDSOJGSA-N 269.498 4.762 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1cc(C)cc(Cl)c1 2316715881 SFATYEOVKCLFNP-MRXNPFEDSA-N 264.796 4.624 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CC[C@H]1C(C)(C)C 2320154429 CEDDZPYLHSNWNO-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@@H](CS)CO[C@@H]1CCC2(CCCC2)C1 2320444847 LDJDCDWGPPFWOY-ZIAGYGMSSA-N 270.482 4.708 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H](CC1CC1)C1CC1 2327115945 PIGTVVYTWNPKBF-GDBMZVCRSA-N 270.482 4.564 30 10 CJEE C=C[C@](N)(c1cccc(SC(C)C)c1)C(C)(C)C 2327726542 SRJOJNMJNYTGJV-INIZCTEOSA-N 263.450 4.573 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)ccc1CNC(C)(C)C 2335245991 SHJNTLCECNWVPN-CQSZACIVSA-N 277.477 4.940 30 10 CJEE CCCCCCCCCOCCCCCCCNC 2337927174 IKAOEOPPUVAFSX-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCCC[C@@H]1C(F)(F)F 2338715990 YGMWCLUNKBMJTG-UONOGXRCSA-N 275.358 4.560 30 10 CJEE C=CCC(CC=C)[C@]1(N)CCCCCCCC1(F)F 2338730636 SEBFBHUEGYKISU-OAHLLOKOSA-N 271.395 4.832 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc2cc(C)ccc2o1 2338740889 JJBDDVCRXSZUAK-KRWDZBQOSA-N 256.345 4.543 30 10 CJEE C=C(C)C[C@@H](CCCC(F)(F)C(F)(F)F)NCCC 2341917228 FSPRCBJRUIFAOW-LLVKDONJSA-N 287.316 4.689 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc2cnsc12 2344359189 XQGDJOIAOHHRHS-CVEARBPZSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccccc1CCC 2344466318 HAWWQIFCGOEHJV-ZWKOTPCHSA-N 260.421 4.535 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(CC2CC2)cc1 2344477640 WDZJLGFFUJIMQI-ROUUACIJSA-N 258.405 4.665 30 10 CJEE CC1CC(C=O)(CC2CCC(CC(F)(F)F)CC2)C1 2353172276 PNXJKCBYJMBCRL-UHFFFAOYSA-N 276.342 4.751 30 10 CJEE CCCCCCCCCCCOCC(=O)[C@@H]1C[C@H]1C 2353180291 QICVXCNJKPFPFW-HZPDHXFCSA-N 268.441 4.759 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1[C@@H]2CCOC[C@@H]21 2355957381 QNUVPAGITDOHJR-XSLAGTTESA-N 282.468 4.551 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)ccc1CNCCC 2360217289 OBPLDYFFWNOYIL-UHFFFAOYSA-N 293.838 4.739 30 10 CJEE O=C1/C(=C/c2cccc(Cl)c2)CC[C@H]1C1CCCC1 247521 CRRLBOLHOXGXHB-DKGMDFAASA-N 274.791 4.893 30 10 CJEE O=C1/C(=C/c2cccs2)SC/C1=C/c1cccs1 33381026 VJPAJBJHTBITGS-VQHBBHOASA-N 290.434 4.550 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1ccc2ccc(O)cc2c1 52858996 WSINRPPCLYHATB-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE CCCCC[C@H](N[C@@H](CC)CC#N)c1ccccc1 54183715 WXRMRLXRUCNAQD-IRXDYDNUSA-N 258.409 4.590 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2cccc(F)c2)c(C)c1 57688922 WQPDQOSSOOQADE-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE CCCCCCCOC[C@H](N)c1ccc(CCC)cc1 59083221 WVXKYIWRMDKZOV-SFHVURJKSA-N 277.452 4.626 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc(F)c1 59090460 VXAIYESLFHTVED-CQSZACIVSA-N 251.389 4.664 30 10 CJEE CCCCOc1ccccc1-c1cc(CC#N)c(CC)o1 77076875 WYYGBTPXDNICGW-UHFFFAOYSA-N 283.371 4.754 30 10 CJEE CCOc1ccccc1OCCC1(C#N)CCCCCC1 88415887 RGYYVKJGBGGLJW-UHFFFAOYSA-N 287.403 4.718 30 10 CJEE CC[C@@H](CS)COc1ccc(C)cc1C(C)(C)C 94583448 ITAGNVAYMBGHRZ-CYBMUJFWSA-N 266.450 4.627 30 10 CJEE SC[C@H](COc1ccc2c(c1)CCCC2)c1ccccc1 94585746 VBDWHODNVMHLSU-SFHVURJKSA-N 298.451 4.658 30 10 CJEE C=C(CC)C[C@@H](CSc1ccccc1C)NCCC 97429540 OKJJMUVJFBCXRT-INIZCTEOSA-N 277.477 4.812 30 10 CJEE Cc1ccc(/N=C/N(C)Sc2ccccc2)c(C)c1 101922047 INKVZKMKOUGKBG-SFQUDFHCSA-N 270.401 4.602 30 10 CJEE CCCCCCCCO[C@H](c1sccc1C)[C@@H](C)N 103975283 ZEIAJYBXJDRTET-CABCVRRESA-N 283.481 4.822 30 10 CJEE CC#CC[C@H](C)c1cc(OCC)c(OCC)cc1Cl 107678338 RAAPPIXBMRUHKE-LBPRGKRZSA-N 280.795 4.654 30 10 CJEE CCCCCCCC(=O)Cc1cccc(Cl)c1 109708603 QRLCJNWMUNCDQO-UHFFFAOYSA-N 252.785 4.812 30 10 CJEE CCCCCCCCCCCC[C@@]1(CN)CCOC1 110194404 AIIILNSIYVYXCY-KRWDZBQOSA-N 269.473 4.663 30 10 CJEE C[C@H]1CCc2ccccc2N1c1cc(Cl)ccc1C#N 110251172 SYYBUXSVEHKICE-LBPRGKRZSA-N 282.774 4.684 30 10 CJEE CCCCCCCCCNC[C@@]1(N(C)C)CCC[C@H](C)C1 110520554 JXDAZNDKIYCJBC-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CCCCCCCN1CC[C@H](NCC)c2ccccc21 113831313 WOWBFGVKUAWIDO-KRWDZBQOSA-N 274.452 4.518 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)CCC2 115062582 KZZKRUPWEMLTIS-SFHVURJKSA-N 259.437 4.926 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1CC(C)C 115224099 YCLJJSGXJYFRGH-OALUTQOASA-N 296.543 4.691 30 10 CJEE CCCCCCCC[C@H](CNCCOC)c1ccccc1 115873306 VMVQZQQCIJZIEG-LJQANCHMSA-N 291.479 4.757 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](OC)C(C)(C)C 123386886 CGVZMJWPRAMBLH-CVEARBPZSA-N 272.473 4.939 30 10 CJEE N#C[C@]1(Cc2cc(F)ccc2Cl)CCc2ccccc2C1 126021916 QRYNOOVBEVFQDN-GOSISDBHSA-N 299.776 4.720 30 10 CJEE CCCCCCCOc1ncc(C)cc1Br 126630162 LOQDMSZPPKSUEM-UHFFFAOYSA-N 286.213 4.502 30 10 CJEE C=CCCCC(=O)c1ccc(Cl)c(Br)c1 126740818 FURUWCQZGHCMJV-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCCCCCCC(=O)CCc1nccn1C 127425336 NQZUYGXZJSHPRZ-UHFFFAOYSA-N 292.467 4.843 30 10 CJEE CCCCCCCCCCn1cncc1CNC(C)C 129490695 WCTTTYZKNMYJCN-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE Cc1cc(N[C@H](C)c2ccc(Cl)s2)ccc1C#N 132635654 RAEMMFUJMRDYMB-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCC(=O)[C@H]1Cc2ccccc2S1 135414904 IDKKLVDFQUIJKA-MRXNPFEDSA-N 262.418 4.633 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H](C)OC)NCC 139439983 RYTBGKIDMFCVQP-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1Cc2ccccc2S1 139680412 KJITWMJTOWVRET-RDJZCZTQSA-N 277.477 4.652 30 10 CJEE Fc1cc(OCC2(CS)CCCCC2)ccc1Cl 147862902 NTWBQZDLHBLBBJ-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE CC(C)[C@@H](CS)CSCc1ccc(Cl)cc1 159186389 RDPJJPSVPAJDAU-LBPRGKRZSA-N 274.882 4.775 30 10 CJEE CCCCCCCCNC1=N[C@@H](c2ccccc2)CS1 159404508 BXOAOVYIANRZNX-MRXNPFEDSA-N 290.476 4.781 30 10 CJEE C=C(C)CCNc1ccc2cc(Br)ccc2c1 164426486 NJKUKTHRKYNGCG-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccccc2F)c1C#N 167584185 YYRLJSHWBJVCOF-NSHDSACASA-N 286.375 4.592 30 10 CJEE CCCCCCCCC[C@H](O)c1sccc1OC 168187396 VMMHUFSBCXQUGW-ZDUSSCGKSA-N 270.438 4.931 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227473013 UNMNKQLYDCBUSL-BZPMIXESSA-N 294.851 4.936 30 10 CJEE CCCCCCCCNCC(F)(F)c1ccccc1 227903531 SIJXEHHGULUREL-UHFFFAOYSA-N 269.379 4.729 30 10 CJEE N#Cc1ccc(Oc2ccc3cccnc3c2)cc1Cl 229033702 ZRTRSZHFCNHWQA-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C=C(C)CC[C@H](NC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229341074 ZAKRRVKNBRUBJK-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE CC[C@@H](C)c1ccc(Oc2ccc(C#N)cc2)cc1 232342171 IHKPHCFNBAWJIB-CYBMUJFWSA-N 251.329 4.864 30 10 CJEE C=CCCCCCOCC(C)(C)CNCc1ccccc1 232525800 LRLJMROHRBIPIW-UHFFFAOYSA-N 289.463 4.565 30 10 CJEE CCCCCCCCC[C@H](NN)C1(C)CCCCC1 232923686 ICAHEWFLPJNMQH-INIZCTEOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCC[C@H](CC1OCCO1)NCCC 232960209 HZHGFUVAGBAZRM-QGZVFWFLSA-N 299.499 4.648 30 10 CJEE CCCC[C@H](C)Nc1ccc(C#N)c2ccccc12 233005442 PQWYWIUOYFCIRX-ZDUSSCGKSA-N 252.361 4.702 30 10 CJEE C=CCCCCCOc1c(C)cccc1CNCCC 233078922 QHWJHMJMBSNKAZ-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCC[C@H](CSc1ccccc1)NCC 233602399 MHIBGKGUHYUFHK-MRXNPFEDSA-N 277.477 4.893 30 10 CJEE Cc1c(C(=O)C2=CCCCC2)oc2ccc(F)cc12 235807238 SDXUNWADBWGAJY-UHFFFAOYSA-N 258.292 4.563 30 10 CJEE CCCCCCCCN1C[C@H](CC(C)C)NC[C@]1(C)CC 250824640 MURPFURJFILTPA-OALUTQOASA-N 296.543 4.836 30 10 CJEE Cc1ccc(C=Nc2ccc(OC(F)(F)F)cc2)s1 252460383 DYEBQCZXJHIZQY-UHFFFAOYSA-N 285.290 4.706 30 10 CJEE Cc1c(C=NNc2ccccc2)sc2ccccc12 254704544 CQQOJLAHJWHKMF-UHFFFAOYSA-N 266.369 4.656 30 10 CJEE C[C@@H](C#N)c1cn(C2CCCCC2)c2ccccc12 259918689 CYZDRHCDKCEDAF-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CC[C@@H]1CCCC[C@H]1n1ccc2ccc(C#N)cc21 311267767 AUSZMOGDEUIPBC-GDBMZVCRSA-N 252.361 4.654 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2ccc3ccccc3c2)O1 312319700 GDUBCTHELHQZAP-ROUUACIJSA-N 265.356 4.538 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H]2CCOC3(CCCCC3)C2)C1 312615213 XKDWDXCWDYEPCG-IXDOHACOSA-N 275.436 4.836 30 10 CJEE CCCC[C@H](C)N(C)c1ccc(C(F)(F)F)c(C#N)c1 312675265 MGORPYDAPHDEBU-NSHDSACASA-N 284.325 4.592 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCCC[C@H]2C)c(Cl)c1 316835532 SHDVQNLYQWOCFE-CZUORRHYSA-N 264.796 4.586 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2 381256011 WBVDKBPIVVSMCR-OBVSXPTNSA-N 263.469 4.761 30 10 CJEE CCCCCCCCNCCCCOCc1ccccc1 390589937 QGGIKVSQAHJVPD-UHFFFAOYSA-N 291.479 4.934 30 10 CJEE CCOc1cc(N[C@H](C)c2ccc(C#N)cc2F)ccc1C 611589970 YBASVDZGJVWVCL-CYBMUJFWSA-N 298.361 4.578 30 10 CJEE C#CCCCCC[C@H](O)C1CCC(CCC)CC1 686672741 AOSFYKGZIRCJFO-JCYILVPMSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](O)c1cc2ccc(F)cc2s1 686679818 PXAYGYSKVPLXQF-AWEZNQCLSA-N 276.376 4.658 30 10 CJEE C#CCCCCC[C@H](Cc1c(F)cccc1Cl)NCC 686700026 VBXFTYRBQBTLJR-CQSZACIVSA-N 295.829 4.583 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CC(C)(C)c1ccccc1 686736662 QJEQTBCVMMPYMD-MAUKXSAKSA-N 258.405 4.750 30 10 CJEE CCC(CC)(CS)CN1CCC[C@H]1C1CCCCC1 688814386 QWAHWHNYWYPEFJ-INIZCTEOSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2sccc21 692188788 BATXWUBYPYUAJP-VNQPRFMTSA-N 275.461 4.850 30 10 CJEE Cc1ccc(N[C@H]2CCCC(C)(C)CC2)c(C#N)c1 697604490 KRKOWGWZYCDAFT-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCCOC1CCCCC1 699953384 MQSWYZXOXCFALX-RDJZCZTQSA-N 263.425 4.836 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CC[C@@H]2C[C@H]2C1 700024912 SWRDNLQTBAVXRO-RBSFLKMASA-N 273.445 4.813 30 10 CJEE CCCCCCCCC[C@@H](NCC)C1CC(OC)C1 703452373 MIAYCVNMHMFHKZ-OFLPRAFFSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C=C)OCc1cc2ccccc2nc1Cl 706038478 HQDCMJLPBAVUGD-CQSZACIVSA-N 273.763 4.536 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](C)CC(C)(C)C 709135449 WRRJHYHFIAUWEB-LSDHHAIUSA-N 256.478 4.641 30 10 CJEE C/C=C(\CC)C(=O)c1cc(C(F)(F)F)ccc1C 713222992 RJJUHMSKDTZNDT-ONNFQVAWSA-N 256.267 4.553 30 10 CJEE C=CCCCCC[C@H](N)c1cscc1C(F)(F)F 717194690 UVBSHOLCNJMTEF-LBPRGKRZSA-N 277.355 4.903 30 10 CJEE C[C@H]1CC([C@H](C#N)Sc2ccccc2F)C[C@H](C)C1 719378774 XBCDYFZTAFJJHA-HSMVNMDESA-N 277.408 4.882 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724236703 TVZXKZWWQAIJTO-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H](CC)c2ccccc2)CC1 724603618 YIAISVGKNRAYSE-ROUUACIJSA-N 257.421 4.644 30 10 CJEE C=C1CCC(C[C@@H](NCC)C(C)(C)C(F)(F)F)CC1 724610384 FVRSHEJYPJYLQN-CYBMUJFWSA-N 277.374 4.690 30 10 CJEE N#CCc1c(OC(F)(F)F)cc(Cl)c2ccsc12 725286639 KAEHYONTBXRKRZ-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C#C[C@@H](NCc1csc2ccccc12)c1ccc(F)cc1 812794360 ZJUWAMFKGCARFA-QGZVFWFLSA-N 295.382 4.505 30 10 CJEE N#Cc1c(N=Cc2cccc(Cl)c2)sc2c1CCC2 1083995034 WDPHITYVEHSVEF-UHFFFAOYSA-N 286.787 4.512 30 10 CJEE Cc1ccc(C[C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 1116466955 OKBYATRZWYGZHF-PXNSSMCTSA-N 292.426 4.561 30 10 CJEE C=CCC[C@H]1CCCN1c1nc2c(C)c(C)ccc2s1 1164288884 VNKRUZCNACWWQU-AWEZNQCLSA-N 286.444 4.848 30 10 CJEE C=CC[C@@H](C)NCc1ccc(OCc2ccc(C)cc2)cc1 1177869588 CWQRTXLCMIIMJF-QGZVFWFLSA-N 295.426 4.628 30 10 CJEE C=CC[C@H]1N(Cc2cccc(OCC)c2)CCCC1(C)C 1181297218 PIEJCKHUVHCERS-GOSISDBHSA-N 287.447 4.652 30 10 CJEE CC#CCCS[C@H](C)c1cccc(Br)c1 1189423287 DZNISAWVVBXGBJ-LLVKDONJSA-N 283.234 4.657 30 10 CJEE C#CCC1(N[C@H](C)c2ccc(C(C)(C)C)cc2)CCC1 1198033198 BNCHZKFHHFFJOM-OAHLLOKOSA-N 269.432 4.581 30 10 CJEE C#Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 1207705520 ZTXMJDUOJVZRHE-ZBFHGGJFSA-N 273.807 4.702 30 10 CJEE C=CCC(C)(C)CNc1nc(-c2cccc(C)c2)ns1 1307126973 IZGCNEWWRGYRDM-UHFFFAOYSA-N 287.432 4.528 30 10 CJEE C=CCCCCCSCc1ccc(OC)cc1OC 1307392573 FBICIXNSNPGQNZ-UHFFFAOYSA-N 280.433 4.683 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCCc2ccccc2C1 1308509612 CYGPBBHLAPGEQT-SFHVURJKSA-N 271.448 4.516 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccccc1CCC 1310027044 AQRQNGBFRHCARL-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=C[C@H](CC(=O)NC[C@@H](CC)CCCC)c1ccccc1 1347887083 DZNZJQRAFLTLFW-DLBZAZTESA-N 287.447 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C 1352120881 RIEHCOMHYFKUOZ-UHFFFAOYSA-N 297.801 4.823 30 10 CJEE C=C[C@H](OC(=O)c1ccc(Cl)c(C)c1)c1ccccc1 1437644911 ZYXROTQPITUORP-INIZCTEOSA-N 286.758 4.733 30 10 CJEE C=CCC[C@@H](Nc1cc(C(F)F)ncn1)c1ccccc1 1458271197 YXHOIAWVMBFNRH-CYBMUJFWSA-N 289.329 4.534 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H](c1ccccc1)C1CC1 1462281571 SSEYDQCCDCSKLK-MOPGFXCFSA-N 271.448 4.905 30 10 CJEE C=CCCC[C@@H](NC(=O)c1sccc1C)c1ccccc1 1462502715 JBPUKWLSUOOZNK-MRXNPFEDSA-N 299.439 4.884 30 10 CJEE CCCCCCCN1CCC[C@H]1c1ccsc1 1473108711 ZCBLTIVTNDWHLM-HNNXBMFYSA-N 251.439 4.855 30 10 CJEE C=CCC[C@@H](CCC)NCC1CC(c2ccccc2)C1 1474476413 YDIXCAWMUSANLR-NKELODKYSA-N 271.448 4.905 30 10 CJEE CC#CCCCC(=O)N(CC)c1cccc(Cl)c1Cl 1517286692 QSQVGBPRYYKSMS-UHFFFAOYSA-N 298.213 4.540 30 10 CJEE C=CCN(C(=O)CC(C)(C)C1CCCCC1)C(C)(C)C 1529132806 NOCIIPCJQCNOKN-UHFFFAOYSA-N 279.468 4.796 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 1530319634 RLTISUVXUZSLGK-UKRRQHHQSA-N 264.409 4.513 30 10 CJEE C#CCC1(C(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)CCCCC1 1534160274 JKUBUJMWIVJOJU-CVEARBPZSA-N 290.447 4.718 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CCCCC1 1539827178 XHLSFEJJBJYRLR-SJORKVTESA-N 299.458 4.821 30 10 CJEE C=C(CC)C(=O)Nc1ccc(Oc2ccccc2F)cc1 1596285537 WTHWEUWOYJYYSM-UHFFFAOYSA-N 285.318 4.523 30 10 CJEE C=CCCCCSc1ccc(Cl)cc1C#N 1640957261 LJMMBNDFJCDCDA-UHFFFAOYSA-N 251.782 4.660 30 10 CJEE COc1cccc([C@H](C)S[C@H](C#N)C2CCCCC2)c1 1640989801 AYOCDOHTDXIECK-SUMWQHHRSA-N 289.444 4.962 30 10 CJEE C=CCCN1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 1641529364 VZRBHZZFPQZZEB-QGZVFWFLSA-N 257.421 4.697 30 10 CJEE C=CCCN(CC1CCCCC1)OCc1ccccc1 1642774208 MHULNGJQCNWPGS-UHFFFAOYSA-N 273.420 4.577 30 10 CJEE C=CCCCCCCCNc1cc(C)c([N+](=O)[O-])cc1F 1651120718 JSLLCLUEOLERGC-UHFFFAOYSA-N 294.370 4.981 30 10 CJEE C#CC[C@@H](NC/C=C/c1ccc(Cl)cc1)c1ccccc1 1653965644 VIJMAOOEPQJZCF-ZLQZBKBYSA-N 295.813 4.707 30 10 CJEE C=CCCCCCCCN[C@@H]1CCC[C@@H](SC)C1 1656367168 ZFHKRKNSFPSNBN-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@H](CC)CC2)cc1 1657349322 LCVQQZXDWKZXEY-FUHWJXTLSA-N 287.447 4.700 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(C2CC2)c(C2CC2)c1 1657943883 SZEJOIJQLSCRTH-GOSISDBHSA-N 281.443 4.982 30 10 CJEE C=C1CCC(CNC/C=C\c2c(C)cc(C)cc2C)CC1 1657954865 LMKSBHSPQMMTCU-WAYWQWQTSA-N 283.459 4.961 30 10 CJEE C=CCCCN(CC(C)C)[C@@H](C)c1ccccc1C 1658632419 XJOIFXXXQHDBKK-KRWDZBQOSA-N 259.437 4.980 30 10 CJEE C=CCC[C@@H](CC)NC[C@]1(C)CC[C@H](C)C1(C)C 1659623794 BQWRALPEAGCYHE-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(F)c(Cl)c2Cl)C1 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O=C[C@@]1(Cc2csc3ccccc23)CCCC12CCC2 1921615611 VOIPANRLFLTRAY-SFHVURJKSA-N 284.424 4.983 30 10 CJEE CCCCCCC[C@H](NCC)[C@](O)(CC)C[C@H](C)CC 1922510885 IKRWVCFICOYNFY-SQNIBIBYSA-N 285.516 4.902 30 10 CJEE CC[C@H](C)C[C@@H](C)N=C1N[C@H](CC2CCCCC2)CS1 1926706656 XLLDGHIHNMXWAA-SQWLQELKSA-N 296.524 4.843 30 10 CJEE CCCCCCCCCS[C@@H](C)[C@H](C)C(=O)O 1941529590 XXWSABUKWKJCIC-STQMWFEESA-N 260.443 4.579 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc(Cl)ccc1Cl 1947382085 MURXAOORUGWAKG-LLVKDONJSA-N 272.219 4.828 30 10 CJEE N#Cc1cc(Cl)ccc1SCCCCC1CC1 1963522197 UIZAICZHCCQVJO-UHFFFAOYSA-N 265.809 4.884 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 1964134418 RUQBVYRCILOTSU-CVEARBPZSA-N 275.436 4.869 30 10 CJEE N#Cc1ccc(N2CCC[C@@H](C3CCCC3)C2)c(Cl)c1 1970753359 QENYBEONYAJXCZ-OAHLLOKOSA-N 288.822 4.618 30 10 CJEE C#CCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 1978445088 FLPAMHDSWCKENY-UHFFFAOYSA-N 275.562 4.633 30 10 CJEE CC1(C)C[C@]1(C#N)Cc1cccc(Br)c1Cl 1979507820 MKZQPDOSVASNOL-ZDUSSCGKSA-N 298.611 4.585 30 10 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260.368 4.699 30 10 CJEE C[C@@H]1C[C@@](C#N)(C2CCC(C(C)(C)C)CC2)[C@@H](C)O1 2088459831 UJVMCBVEYPUTAX-PNVDHCIKSA-N 263.425 4.546 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccccc2C2(C)CC2)CC1 2088963303 JZRQBLDUOCWTLI-CYBMUJFWSA-N 254.373 4.667 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccccc1C1CCC1 2089546330 VKVARBQVDIPGED-KSSFIOAISA-N 257.421 4.817 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCCCCCC)NC 2092173928 PEDNHJBIXRLOKJ-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccc(Cl)cc1F 2095577270 NIFIQXLMBBQXKX-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C=C([C@H](NCC)[C@@H](CC)c1ccccc1)C(C)(C)C 2096625945 WCSMQRQWPGMJIO-IRXDYDNUSA-N 259.437 4.761 30 10 CJEE C=C[C@@H](N[C@@H]1c2cc(Cl)ccc2CC1(C)C)C1CC1 2101999338 HMLCJCCFMMNCRJ-HZPDHXFCSA-N 275.823 4.518 30 10 CJEE C=CCC[C@H](C)[C@H](NC)[C@@H]1CCCC[C@H]1C(F)(F)F 2102109850 BRTFHVXIJJESCG-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE CC(C)(C)C#CCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 2103204730 DLJJEANFARYVMB-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE 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CC1(C)CCC(C#N)([C@@H]2CC[C@H]3[C@H](C2)C3(F)F)CC1 2109746027 IRWZKJWXBMZYJI-AGIUHOORSA-N 267.363 4.778 30 10 CJEE C=CC1(C[C@H](NCCC)c2ccc(Cl)cn2)CCC1 2111716840 AHFMKNJDAJVMMG-HNNXBMFYSA-N 278.827 4.522 30 10 CJEE C=CC1(CC2(CNC)CCC(C(C)C)CC2)CCC1 2111717397 DDVLFHHCUVQJOU-UHFFFAOYSA-N 263.469 4.785 30 10 CJEE CCCC[C@@](C)(C#N)Cc1csc([C@H](C)OCC)n1 2113497075 GUTHRKKDSFKEKB-SWLSCSKDSA-N 280.437 4.503 30 10 CJEE CC(C)(C)CC[C@@](C)(O)[C@]1(C#N)CCCCC1(C)C 2117021972 AVCSPNDPOIORCV-SJORKVTESA-N 265.441 4.674 30 10 CJEE CCC(CC)(CS)CN(C)C[C@H]1CCC[C@@H]1C(C)C 2119950473 FHQGHHVEYMXJBA-HZPDHXFCSA-N 285.541 4.727 30 10 CJEE C=C([C@H](NCCC)[C@H]1CCC[C@@H]1C(C)C)[Si](C)(C)C 2119987142 MOWHAKYTYMPQJQ-IKGGRYGDSA-N 281.560 4.861 30 10 CJEE C=C1CCC(C[C@@H](NC)C2CC(C3CCC3)C2)CC1 2120252506 DSSWYBWPPNVKHX-DAWZGUTISA-N 261.453 4.537 30 10 CJEE CCCCCCCCC[C@@]1(O)COC2(CCCC2)C1 2122316150 OROMTSBDTYLJHA-INIZCTEOSA-N 268.441 4.591 30 10 CJEE CCCCCC1CC(N=C2NC(CC)(CC)CS2)C1 2123470482 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CCCCCCCCCCCCN1CCC[C@H]1[C@@H](C)O 2149404906 ZKAUZFHXGOGEBX-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCCCCCCO[C@@H]1CC2(CCC2)CC[C@H]1NCC 2149584854 JHLUXHQKSGQNHC-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)C1C(C)(C)C1(C)C 2149859799 ZHUCIYRCXZZLRA-MRXNPFEDSA-N 275.480 4.621 30 10 CJEE CCCC1CCC(C=O)(C[C@H](OC)C2CCCC2)CC1 2150284414 FQWGAXRRPNBFSI-NXYGQSRBSA-N 280.452 4.757 30 10 CJEE CCCCCCC[C@@H](O)C(=O)CCC(C)(C)C(F)(F)F 2150430258 OPVDCAMSPIMOBN-GFCCVEGCSA-N 296.373 4.646 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](C(C)C)CC2)c1 2159458290 SSPLJSTZEQOZRT-NVXWUHKLSA-N 270.420 4.884 30 10 CJEE CCCCCCCO[C@H]1[C@@H](NCC)CC(C)(C)C1(C)C 2160546345 NMHWOLCFQWKGBT-HOTGVXAUSA-N 283.500 4.776 30 10 CJEE CCCN[C@@H](C)c1ccc(C)c(-c2ccc(C#N)s2)c1 2162081204 LQDGJSLKWIDGNV-ZDUSSCGKSA-N 284.428 4.656 30 10 CJEE C=CCOc1ccc([C@H](CCC(C)=C(C)C)NC)cc1 2164074845 DYPAMNDHGLHDKZ-SFHVURJKSA-N 273.420 4.648 30 10 CJEE C=CCOc1ccc([C@H](NCCC)C(CC)CC)cc1 2164191696 OUKNWBVDMCALQX-GOSISDBHSA-N 275.436 4.728 30 10 CJEE CCCC[C@](C#N)(CC)C1(O)CC(C2CCCCC2)C1 2164477397 JSVPBTTUVGITAO-ADKAHSJRSA-N 277.452 4.818 30 10 CJEE CCCCCCCOc1nc(C)c(CNC(C)(C)C)s1 2164480388 RMPVCDLXUDJSGS-UHFFFAOYSA-N 298.496 4.689 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1[C@@H]2CCOC[C@H]21 2164493150 OFJQBVWKPUUVQU-WNRNVDISSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC2(CCCC2)CO1 2166225194 SCRDHTCWTMZWFE-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCC1(C#N)CCCCC1 2166305548 ZXYCNOLCIMWULC-BRWVUGGUSA-N 276.468 4.511 30 10 CJEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)cc2F)CCC1 2168023387 LGDTVBHBPMUQFC-ZDUSSCGKSA-N 287.300 4.591 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(O)[C@]1(C#N)CCCC(C)(C)C1 2168542878 UUQQQQBIUNSJQT-ZTFGCOKTSA-N 277.452 4.674 30 10 CJEE CSc1cccc(N[C@@H]2CCCCC(F)(F)C2)c1C#N 2168897373 MWZUVASOHMJCHX-LLVKDONJSA-N 296.386 4.660 30 10 CJEE CCC1CCC(C=O)(C[C@H](O)c2cccc(Cl)c2)CC1 2169756121 UKHVVQLFHXGDLY-PWZRNIHTSA-N 294.822 4.549 30 10 CJEE CCC1(C)CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 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281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCN)C1CCC(C)(C)CC1 2293140115 XRXJEWXNOXRUMP-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCC12CCCCC2 2293295077 OWBBENHSRNOZLM-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CCCC=C1C 2293411836 WTDPZTUVDRCUPL-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CC[C@H](C)C1(OCCCN)CC(C)(C)CC(C)(C)C1 2293516853 QZWITNHWBPDLQB-HNNXBMFYSA-N 281.484 4.539 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1cncs1 2293526446 AIPUEADIMFVAPY-HNNXBMFYSA-N 298.496 4.690 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@@H]1C)OCCCN 2293624580 QTVOYDIHBYBSRU-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCCC=C1C 2293706392 SLQQLYHBFDJUCF-SFHVURJKSA-N 281.484 4.971 30 10 CJEE N#CC1(C2C3CC4CC(C3)CC2C4)CCC2(CC2)CC1 2294846090 ILLJDAPPRNIVLA-UHFFFAOYSA-N 269.432 4.923 30 10 CJEE C#Cc1ccc2c(ccn2CC[C@@H]2CCC[C@H](C)C2)c1 2295204937 MILULOOFQUITSW-RDJZCZTQSA-N 265.400 4.839 30 10 CJEE C=CCCCCCC[C@H](O)c1ccc(OC)c(F)c1F 2295612705 YMJURLFWNVTTCX-ZDUSSCGKSA-N 284.346 4.533 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)CC(C)(F)F 2295679993 VCYZNJJJIJQRKC-CABCVRRESA-N 293.442 4.511 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@](C#N)(NCC)[C@@H]1C 2295711458 OOTBHWXHBCDRGV-YYIAUSFCSA-N 296.524 4.606 30 10 CJEE CCC(=O)C=Cc1ccc(-c2cc(Cl)ccc2C)o1 2296515348 ZPTKFCXKCJEXLH-UHFFFAOYSA-N 274.747 4.901 30 10 CJEE C=CCC(CC=C)Sc1ccc(Cl)cc1C=O 2298885231 KWYRQLSWAKZYDS-UHFFFAOYSA-N 266.793 4.765 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2301274385 KWPZDDKYOFQNQQ-CQSZACIVSA-N 272.219 4.919 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(C)c1 2304119623 LVNOTRXCZURFOS-GJZGRUSLSA-N 252.785 4.674 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]1C[C@@H]2N 2312998062 OGTIKANCUQXODE-QZWWFDLISA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)SCC(=O)c1cccc(Cl)c1 2313705558 UWAMYSFNOZUOEO-UHFFFAOYSA-N 280.820 4.777 30 10 CJEE C=CCCCC[C@H](N)c1cc(F)ccc1C(F)F 2316358355 QKGLYFFQYFCSJW-ZDUSSCGKSA-N 257.299 4.510 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)cc1CC 2321102888 UXBIANGGYGDVCK-HOTGVXAUSA-N 265.828 4.895 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC(F)(F)CC)NCC 2321126714 CNCVBLPHPQHLTG-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)c(F)c1Cl 2321134555 PAVFTXBQESBGQH-IAQYHMDHSA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1CC[C@H]1C(F)(F)F 2321138235 QARIKFPHDACRFB-DMDPSCGWSA-N 262.315 4.527 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2321143973 DWZQCROMXOTWAI-XPTSAGLGSA-N 290.209 4.995 30 10 CJEE CCOc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2323809052 OXPMPDVSQLJHGH-UHFFFAOYSA-N 286.758 4.635 30 10 CJEE CCCCCCCCN(C)C[C@H]1CC[C@@H]2[C@H]1C2(F)F 2332408350 IBLNGVPOLVTITC-KFWWJZLASA-N 273.411 4.570 30 10 CJEE C=CCCCCCCCC=C1C[C@H]2CNC[C@@H](C1)C2 2337878636 IJTMYZAZMBRJNT-HDICACEKSA-N 261.453 4.849 30 10 CJEE CCCC[C@@](C)(C=O)Cc1cc(F)ccc1C(F)F 2337993793 ITJMMVRNTCBZDF-OAHLLOKOSA-N 272.310 4.701 30 10 CJEE C#Cc1ccc(NCC=C(C)CCCC(C)C)cc1 2338443279 UQRPOVZLRWKASB-UHFFFAOYSA-N 255.405 4.852 30 10 CJEE C=CCC(CC=C)C1(CN)CC(C)(C)CC(C)(C)C1 2338724788 KTEACIWZAJUJKT-UHFFFAOYSA-N 263.469 4.936 30 10 CJEE C=CCC(CC=C)C[C@H](NCC)c1ccc(C)cc1 2338744037 KYEJGSMURGJNQV-SFHVURJKSA-N 257.421 4.804 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(F)cc1C1CC1 2339160160 KJKKYLISLNGUKC-KRWDZBQOSA-N 262.368 4.873 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339247052 SANHYWPUTSSWEN-NCOADZHNSA-N 258.405 4.684 30 10 CJEE CCCCCCCCCC[C@@H](O)C#C[C@@H]1CC1(F)F 2341014962 MBIQBMGEVUQMQU-HUUCEWRRSA-N 272.379 4.537 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1cc(C#N)ccc1Cl 2343264867 KJUFUDAHXZUUOL-STQMWFEESA-N 276.811 4.696 30 10 CJEE CCCCCCC[C@H](NCC)C1(C(C)(C)OC)CC1 2343524942 LTHWBGSHXOQXQJ-HNNXBMFYSA-N 269.473 4.530 30 10 CJEE C=C[C@H](C)CCN(C)c1cc(Cl)nc2ccccc12 2344360977 WTVMBXBOJPCKQB-LBPRGKRZSA-N 274.795 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1nccc(Cl)c1F 2344375740 OEYYNIBRGMCIHX-GJZGRUSLSA-N 284.806 4.517 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cnc(C(C)(C)C)s1 2344381200 UPRFKPMNEYVZQY-ZDUSSCGKSA-N 280.481 4.694 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2344383291 RSRMOPNSHYKPCN-WNRNVDISSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(CSC)c1 2344385230 OFEUMTBDXXHSIP-SJORKVTESA-N 277.477 4.803 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccccc1C1CC1 2344412287 REZBVSPSPDEKAC-GOSISDBHSA-N 256.389 4.668 30 10 CJEE Cc1cc(N=C2N[C@@H](C3CCC(C)CC3)CS2)cs1 2351645347 HAKWYHFIRYUVCE-MMWSSPAHSA-N 294.489 4.575 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCC[C@H](C)CC1 2352213574 BDKQDATUJGEPQK-BBRMVZONSA-N 282.449 4.664 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NC[C@H](C#N)C(C)C)c1Cl 2353016857 UOFVWPIMRPNANL-NEPJUHHUSA-N 299.245 4.748 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCC[C@@H]1C[C@H]1C)NC 2356061454 YQOANULTHIUOBF-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2357480123 BMPOJAUXDNIVJY-VPAKFMSCSA-N 275.480 4.621 30 10 CJEE CCN([C@@H](C)CC1CCC1)[C@H](C)c1ccc(C#N)cc1 2360335304 ZWDDOYJOZSWHMC-LSDHHAIUSA-N 270.420 4.520 30 10 CJEE Cc1ccc(/C=N/c2ccc(C(F)(F)F)cc2)cc1 5380269 DWIGQRJSTBHCLS-VXLYETTFSA-N 263.262 4.764 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)C12CC3CC(CC(C3)C1)C2 20012954 RNOBNKFXGUOWOY-SALMBKGGSA-N 280.415 4.575 30 10 CJEE Cc1c(C(=O)/C=C\c2cccs2)oc2ccc(F)cc12 33248899 UWFVQQDZCDAGAY-WAYWQWQTSA-N 286.327 4.838 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)CCC2CCCC2)cc1 36931475 LSNHTYQIOBIEKL-SFHVURJKSA-N 283.415 4.957 30 10 CJEE CCCC[C@H](Nc1cccc(C#N)c1)c1ccccc1 37203212 PQRWCMPAFLHGNB-SFHVURJKSA-N 264.372 4.902 30 10 CJEE CN[C@@](C)(C#N)CCCCSc1ccc2ccccc2c1 45365764 AZKIHEFDHBZKTQ-GOSISDBHSA-N 298.455 4.604 30 10 CJEE CCCN[C@@](C)(C#N)CCCCSC1CCCCC1 45366165 PKXLYAFGKWGCHC-MRXNPFEDSA-N 282.497 4.504 30 10 CJEE COc1cc(Cl)c(C)cc1N[C@@H]1CCCCC[C@@H]1C#N 54823179 MPFNSFPXSMGUOV-TZMCWYRMSA-N 292.810 4.541 30 10 CJEE Clc1ccccc1/N=C/c1ccc(Br)cc1 59508431 XVQDHCKESHZVLJ-CXUHLZMHSA-N 294.579 4.853 30 10 CJEE CCc1cc(-c2cc(CC#N)c(C(C)C)o2)ccc1OC 77079712 GUUJXDYREBBSGN-UHFFFAOYSA-N 283.371 4.707 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(F)cc2Cl)C1 87996775 UUFOWCMLCVBXPS-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=CCC[C@@H](CSc1ccccc1Cl)NCCC 90233271 PFXCNWDBAXHQII-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE CC[C@@H](CS)COc1ccc(-c2ccccc2)cc1 94582734 DPCJHPANILDPIG-CQSZACIVSA-N 272.413 4.688 30 10 CJEE CCCCCCCNc1sc2c(c1C#N)CCCC2 106351549 UEMWGTFPCXXKFH-UHFFFAOYSA-N 276.449 4.881 30 10 CJEE CCC#CCCc1c(C)cc(OCCC)c(C)c1C 107639996 RTVLUQLOZRETOO-UHFFFAOYSA-N 258.405 4.747 30 10 CJEE CCCOc1c(C)cc(Cl)c(C)c1C[C@H](C)CS 107651083 DLJVKRDYMLRJPM-JTQLQIEISA-N 286.868 4.854 30 10 CJEE CCCCCCCCC[C@H](Cc1csc(C)n1)NC 108174760 QCHUNASEWMMHBA-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1cccc(OC)c1 110190856 QMLWFTPHGCFBJT-SFHVURJKSA-N 291.479 4.824 30 10 CJEE CCCCCCCCCCOc1cccc(C(N)=S)c1 110271109 BYIFEECHLQXMBZ-UHFFFAOYSA-N 293.476 4.840 30 10 CJEE C[C@H]1CCC[C@@H](Sc2ccc(Cl)cc2C#N)C1 110354399 XHNSIFJTXXBFCJ-GXFFZTMASA-N 265.809 4.882 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OC)c(F)c1 115062695 NEAGMCZNFBUPNN-HNNXBMFYSA-N 267.388 4.585 30 10 CJEE CCCCCCCCCCCCC1(O)CCN(C)CC1 115650221 VPFZKPTUTKGHPB-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCCCc1nnc([C@@H](CC)NC)o1 115862068 FTBOHKHBGSSRRE-OAHLLOKOSA-N 295.471 4.813 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(F)c1Cl 122396746 YHJOYXHQSPECAP-AWEZNQCLSA-N 286.822 4.734 30 10 CJEE CCCCCCCCCC[C@H](O)c1cscn1 124369313 QRNPVMVQYHCPQY-AWEZNQCLSA-N 255.427 4.707 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H](C)OC 129148136 URMSVSSOYLGJOW-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCNc1ccccc1C(N)=S 129344083 GTBHBAVHWBRVAO-UHFFFAOYSA-N 292.492 4.873 30 10 CJEE Cc1cc(Nc2ccc(C(C)C)cc2)ccc1C#N 133323567 QAZCYSRSOZUPRA-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H]1CCCCO1 134521566 HNBQKDFMSLFMHZ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CSc1cccc(Oc2ccccc2Cl)c1C#N 136704269 NLYIKCRHDKNIEC-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCCCCCCNOCC(F)(F)F 156063249 PQWXSENSGJGMMX-UHFFFAOYSA-N 283.378 4.991 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1ccc(C(C)(C)C)cc1 158828712 MUFQTUKSBGYRRC-IBGZPJMESA-N 273.464 4.717 30 10 CJEE CCCC1CCC(C#N)(C(O)(CCC)CCC)CC1 165718397 VZNHVGGGVCUWGX-UHFFFAOYSA-N 265.441 4.818 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccncc1Cl 166890011 YLMWHUJLHKCWNO-OAHLLOKOSA-N 282.859 4.746 30 10 CJEE CCN(Cc1ccccc1)[C@H](C#N)c1ccc(C(C)C)cc1 213021436 ITUIWLCQHXMSEM-HXUWFJFHSA-N 292.426 4.897 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1cccc(C#N)c1 218160438 GEELFQDOAVXAHC-OHQAAIJDSA-N 284.447 4.670 30 10 CJEE CCCCCCCCCC[C@@H](O)CC(C)(C)OC 230983568 QTQXSDIMQWMPNJ-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE CCCCCCCC(=O)Cc1cc(Cl)ccc1F 231219674 SWJRIEUWAFYGQH-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2c(Cl)cccc2Cl)CC1 235288246 FCQUHOAOBYCVNN-JTQLQIEISA-N 283.198 4.851 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2cc(Cl)ccc2C#N)C1 235400979 GHLMTGPOAPOYPX-WCQYABFASA-N 274.795 4.616 30 10 CJEE C=CCCCCC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F 236549301 VRJPVBFUTKDAIO-MRVPVSSYSA-N 294.263 4.552 30 10 CJEE O=[N+]([O-])c1ccc(C=Nc2cccc3ccccc23)s1 252462301 RIZQIHSQTLYUGA-UHFFFAOYSA-N 282.324 4.560 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](N)C[C@H]1C 252689938 SRRARQDIWJFNRD-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C=C(C)CCNc1ccc(OCc2ccccc2)cc1 309887469 LPNICFUXUOIQEN-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE C=CCC(C)(C)CN[C@H](c1ccc(Cl)cc1)C1CC1 311779098 YDRUUOHPXLUCMM-INIZCTEOSA-N 277.839 4.983 30 10 CJEE CC(C)C(C(=O)[C@@H](C#N)c1c(F)cccc1Cl)C(C)C 312237963 JFABECAYPZEPCQ-NSHDSACASA-N 295.785 4.584 30 10 CJEE C=C(CC)CN[C@@H](C)c1sc2ccccc2c1C 313480127 IEKZEWQRFMUHLT-ZDUSSCGKSA-N 259.418 4.827 30 10 CJEE O=C[C@]1(C[C@@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 316938099 GSZYMLNIYFOJMZ-PCODUJHASA-N 268.400 4.502 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC/C=C/c2ccccc2)C1 317367610 GMSDYTKOOIIFLN-JMLCPULPSA-N 256.389 4.875 30 10 CJEE CCCCCCCCCCCC(=O)c1cnc(C)n1C 380065143 WMNNJEVVDPGNMO-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE C=CCCCCCCNCc1nc2ccccc2s1 382128913 IHHVUKGFQCZWBW-UHFFFAOYSA-N 274.433 4.522 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccccc1Br 384899989 WKARQZKXXBKAIW-WFASDCNBSA-N 292.220 4.712 30 10 CJEE Cc1c(Cl)cccc1N=C1N[C@H](C2CCCC2)CS1 386054410 ABLCYIQPKXZJME-AWEZNQCLSA-N 294.851 4.531 30 10 CJEE CCC(CC)(CC)[C@@H](O)C1(C#N)CCCCCCC1 395227417 OQUHVWZGZBNIIZ-OAHLLOKOSA-N 265.441 4.818 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 398202305 WNHYFZBGMPWYGW-NEPJUHHUSA-N 269.791 4.875 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 399154374 ILZKIMASXHOASS-ONGXEEELSA-N 298.213 4.852 30 10 CJEE CCC1CCC(C#N)(CCc2ncc(C)cc2C)CC1 401053723 QUKXYTUIDSIHKW-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCCCCC[C@]1(CNC(C)(C)C)C[C@@H](C)O[C@@H]1C 686467866 SLORQLOQQOINAP-JFIYKMOQSA-N 281.484 4.695 30 10 CJEE CCCCCCCC[C@H](NC)C(C)(C)C(F)(F)F 690190140 AHRVEGFJPCUPJW-LBPRGKRZSA-N 267.379 4.914 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCCSCC1 690326128 IGJVGFIZCQBIAN-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CC1(F)F)NC 691643548 OXOBBVWITIPDCM-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C1CCC(CCC/N=C2/NCC3(CCCC3)CS2)CC1 694077083 WNXQWCPMPQGWQB-UHFFFAOYSA-N 294.508 4.600 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC(C)(C)CC(F)(F)F 694125489 CHDJUMLUVPFQPI-DGCLKSJQSA-N 264.331 4.751 30 10 CJEE N#CC1([C@]2(O)CCC23CCCCC3)CCCCCCC1 694395597 LKLVPEHVPPRFGY-SFHVURJKSA-N 275.436 4.716 30 10 CJEE C[C@H](N[C@H](C)CC1CCCCC1)c1cccc(C#N)c1 694661241 VXDBUNORUZDVGI-CABCVRRESA-N 270.420 4.568 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@H](C)C1CC1 695781264 NULUPKKOUFVUQY-JKSUJKDBSA-N 284.447 4.615 30 10 CJEE CCCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698450583 AFHBLKFHOUVGPQ-WMLDXEAASA-N 296.455 4.885 30 10 CJEE C=CCCC(C)(C)CNc1c([N+](=O)[O-])ccc(Cl)c1C 707763399 XWMMPXAZJHVUHE-UHFFFAOYSA-N 296.798 4.961 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@@H]2CCC[C@@H]21 707849436 YPEBPDXXGQERON-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=C(COCCC)[C@@H](C[C@H](CC)C(C)(C)C)NCCC 711115383 VZWKVWGOCDWZDS-DLBZAZTESA-N 283.500 4.800 30 10 CJEE C#CCCCCC[C@@H](C[C@@H](CC)C(C)(C)C)NC 711176187 DHOAMRZOICTPKE-CVEARBPZSA-N 251.458 4.621 30 10 CJEE CCCCCCCCNc1ccc2c(n1)CCCC2 712393443 CVDHKMYLTRRTKS-UHFFFAOYSA-N 260.425 4.733 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CCC3(CCC3)O2)CC1 712394453 AALYOVMXVYJJMD-CGZBRXJRSA-N 275.436 4.834 30 10 CJEE C=CC[C@@H](C)C(=O)c1ccccc1OCc1ccccc1 715710251 OYXJOXRIFUMAMQ-OAHLLOKOSA-N 280.367 4.661 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1 715725888 RGBNZKNIWCDXPQ-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NCCC 717006502 WVGXSNKLTCSINT-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=CCCC(C)(C)NC[C@H](c1ccccc1)C(C)C 717915408 FMIYWIIPCSLXLM-KRWDZBQOSA-N 259.437 4.761 30 10 CJEE C=CCCCCC[C@H](C)NC1CCC(OC(F)F)CC1 825143646 HJNBCODFOZQZTD-NFOMZHRRSA-N 289.410 4.651 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc(SC)cc2)CCCC1 1126010772 UAWHVRWMGQDVCG-UHFFFAOYSA-N 289.444 4.508 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CCC)CCc1ccccc1 1126467377 QNIWZNTYHGALFX-WMZOPIPTSA-N 287.447 4.506 30 10 CJEE C=CCC1(CNC(=O)c2cc3cccc(C)c3o2)CCCC1 1128966344 SOXJXIYCBJYFIM-UHFFFAOYSA-N 297.398 4.608 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc2ccoc12 1178939650 NFJHWCLMVLGWNF-IBGZPJMESA-N 291.394 4.710 30 10 CJEE C=CCN(Cc1ccccc1CF)CC1CCCCC1 1307471930 QHQHBZMIWOLTSE-UHFFFAOYSA-N 275.411 4.724 30 10 CJEE C=CCCCCCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 1307607724 NFYGANYKECUFQP-APWZRJJASA-N 287.447 4.825 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)c1nccc2ccccc12 1308928678 SFTJEDOSEUGAOS-HNNXBMFYSA-N 282.431 4.878 30 10 CJEE C=CCC[C@H](C(=O)OC[C@@H]1CC=CC[C@@H]1C)c1ccccc1 1347958727 KGZWFDGNTVKOFE-WDSOQIARSA-N 298.426 4.882 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1355470347 NTMFACRWDADRIK-CQSZACIVSA-N 291.394 4.799 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1437509319 WVOWVQLDCNIPGG-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C#CCN(CC1CCCCCC1)[C@H]1CCc2ccccc21 1459348148 WQNBGMOUVNXINM-FQEVSTJZSA-N 281.443 4.580 30 10 CJEE C=CC[C@H](CC)NC(=O)C/C=C/c1ccc(C(C)C)cc1 1459619321 PQZHRXYZRYJNEJ-KOEDOTQGSA-N 285.431 4.684 30 10 CJEE CC(C)(C#N)CCCCN1CCC[C@H](C2CCCC2)C1 1473887557 QIFVFTJPXAQGPX-KRWDZBQOSA-N 276.468 4.609 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2sccc21 1474420565 XQUSVGWVCVFPMQ-DZGCQCFKSA-N 263.450 4.850 30 10 CJEE C#C[C@@H](N[C@H](C)CCC1CCCCC1)c1ccc(F)cc1 1474544523 QOTOZOTZLIAFPO-DNVCBOLYSA-N 287.422 4.839 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@H](C(C)(C)C)C1 1478605720 NPHDLKSZJIPFNB-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=CCC1(C(=O)NC(C2CCC2)C2CCC2)CCCCC1 1525420244 KYBHRLYELBNIAJ-UHFFFAOYSA-N 289.463 4.598 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)CCCCC1 1528239852 MEJCXOWHRMJXHC-HZPDHXFCSA-N 291.479 4.844 30 10 CJEE C=C[C@H](OC(=O)C=C(CCC)CCC)c1ccccc1 1528631393 BYEAFNUVSCSUPE-KRWDZBQOSA-N 272.388 4.984 30 10 CJEE C#CCC1(C(=O)NC(CC(C)C)CC(C)C)CCCCC1 1537507136 BZBVZWVSJCXROD-UHFFFAOYSA-N 291.479 4.537 30 10 CJEE C=C(C)CCC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1539282598 QTZNDWGUHPSJHJ-IAGOWNOFSA-N 272.388 4.531 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1545802297 PNXZTFOUVZYLGI-AOIWGVFYSA-N 299.458 4.631 30 10 CJEE C=CCN(Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 1560741841 KQVWDFSFPPJCCO-UHFFFAOYSA-N 289.728 4.509 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1564726636 DMNSIJBUIHRGRE-IXDOHACOSA-N 294.483 4.637 30 10 CJEE C=C(CC)CNC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1585006561 AQIGJHQEXUPWMH-KOHRHEQBSA-N 291.479 4.702 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCC1CCCC1 1586140156 PIHUNGABUAOSDV-IRXDYDNUSA-N 277.452 4.598 30 10 CJEE C=CCCCCCCCNc1cc(F)ccc1C#N 1612450887 MYVSYEAMXAWGNS-UHFFFAOYSA-N 260.356 4.636 30 10 CJEE Fc1cccc(C#Cc2c(Cl)cccc2Cl)c1F 1614731393 VOCCLDRMZTXOCU-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 1616752472 VNZXTGVACJDJAA-ZWKOTPCHSA-N 283.415 4.875 30 10 CJEE C=CCCC(C)(C)NC(=O)CCCCCc1cccs1 1618637725 JMJBBABIPVOGPV-UHFFFAOYSA-N 293.476 4.712 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(C(C)C)nc1CC 1620642221 LTCRSVFPPGJNME-QGZVFWFLSA-N 286.463 4.698 30 10 CJEE C=CCCC1(CN[C@@H](C)Cc2ccc(F)cc2)CCCC1 1621435905 MFRLBNIPCLCQRQ-INIZCTEOSA-N 289.438 4.873 30 10 CJEE C=C[C@@H](CC(=O)NC1(C2CCCCC2)CC1)c1ccccc1 1627533533 VGKFKYSBIATNIL-INIZCTEOSA-N 297.442 4.575 30 10 CJEE C=CCCC1(CNc2ccsc2[N+](=O)[O-])CCCC1 1640152747 JZVYSYHRPJJSCH-UHFFFAOYSA-N 280.393 4.595 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CCC[C@H](C)C1 1641765856 XUPCQYQMFUTYKP-WMZOPIPTSA-N 263.469 4.881 30 10 CJEE C=C(C)CCNC(C)(C)c1ccc(OCC(C)C)cc1 1642509319 CCUNVAPILWRZLW-UHFFFAOYSA-N 275.436 4.512 30 10 CJEE CCCCCCCCCN1CCC(F)(F)[C@@H](C)C1 1643297146 XKWIBGYNCHZWDT-AWEZNQCLSA-N 261.400 4.714 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2C(F)(F)F)C1 1648964713 CMKKJSCWNWSGDP-OCCSQVGLSA-N 283.337 4.540 30 10 CJEE C=CCCc1ccccc1NCc1ccc2c(c1)C[C@H](C)O2 1650993270 ZIFVVTGXNQIMEO-HNNXBMFYSA-N 293.410 4.741 30 10 CJEE C=CCCC1(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)CCCC1 1651322885 YFBQKTJQXZJCMI-IAGOWNOFSA-N 293.495 4.696 30 10 CJEE C#CCCCCCCN(C)[C@@H]1CCC[C@@H]1c1ccccc1 1653848627 VXQCWYIAMDPLEY-WOJBJXKFSA-N 283.459 4.838 30 10 CJEE C=CC[C@H](CC)Nc1cc(-c2cccc(Cl)c2)ncn1 1655467196 JJAHOCWOCUQTNR-AWEZNQCLSA-N 287.794 4.564 30 10 CJEE C=CCCCCCCCN[C@H]1Cc2[nH]c3ccccc3c2C1 1659961040 KFPXLZQXNCHHNR-MRXNPFEDSA-N 296.458 4.751 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)CCc1cccc(C)c1 1659963267 DDTCLGLPYQAHCN-QGZVFWFLSA-N 273.464 4.898 30 10 CJEE C=CCC1(CNC[C@@H](C)c2ccc(F)cc2)CCCC1 1664712729 MIRUZJLXDURKKZ-OAHLLOKOSA-N 275.411 4.655 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CC 1667410948 KBYKSOCCSHHYTR-WBVHZDCISA-N 286.419 4.505 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@@]12CCCC[C@H]1C2 1682865068 VAPZZQOJBDJGPD-FUHWJXTLSA-N 292.467 4.535 30 10 CJEE CC(C)(C)C1(C[C@@]2(C#N)CCCOC2(C)C)CCC1 1876743925 UVARGPAPHOMZNF-QGZVFWFLSA-N 263.425 4.692 30 10 CJEE C=C[C@@](N)(C[C@H]1CC[C@H](CC)CC1)c1ccccc1 1878361310 XBDHBKKWPAPXIS-JFIYKMOQSA-N 257.421 4.633 30 10 CJEE CC[C@H]1CC[C@H](COc2ccc(C#N)c(Cl)c2)CC1 1878372398 TXWJPMILDVEKIX-JOCQHMNTSA-N 277.795 4.807 30 10 CJEE CC#CCCC[C@@H](NCCC)c1ccc(C)c(C)c1 1879648566 WZCASZYBZMBDMB-GOSISDBHSA-N 257.421 4.538 30 10 CJEE C=CC1(CNc2cccc(C(F)F)n2)CCCCC1 1880778613 SRUINGNZZUBSFW-UHFFFAOYSA-N 266.335 4.568 30 10 CJEE CCCCCCCCCN1CCCc2ncccc21 1883430508 SKJMZXTUPBVSSJ-UHFFFAOYSA-N 260.425 4.585 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](OC)C1 1884312568 KTCMFCKJGVPVCS-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=C(C)CN(Cc1ccccc1C(C)(C)C)C(C)C 1884630919 PYCKOWUGJHMDPO-UHFFFAOYSA-N 259.437 4.771 30 10 CJEE Cc1cc(Cl)cc([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 1885274597 NISXNJYGXOULNF-KGLIPLIRSA-N 292.615 4.598 30 10 CJEE CC#CCCCCC(=O)c1ccc2ccccc2c1 1885369244 XGNVQYGSWWRDSG-UHFFFAOYSA-N 250.341 4.606 30 10 CJEE C=CCN(CC[C@H]1CCC(C)(C)C1)Cc1ccccc1 1892861152 SJUBBOIZGHFBEW-QGZVFWFLSA-N 271.448 4.891 30 10 CJEE C=C[C@@H](C)Oc1ccc(Br)cc1C(C)(C)C 1901927938 MYDWOIPPZNHPKD-SNVBAGLBSA-N 283.209 4.700 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)sc1C 1903136340 PDCHZKWKKVXKKT-STQMWFEESA-N 257.830 4.702 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1N=C1N[C@H](C(C)(C)C)CCS1 1911920981 QVMOMBVZTDAOHX-MCIONIFRSA-N 296.524 4.698 30 10 CJEE CC1(C)CCC(C#N)(C2(O)CC3(CCCCC3)C2)CC1 1912705685 GAVQVZVCCQVHTA-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=CC[C@@H](C)Oc1cc(C)c(F)cc1[C@@H](C)NCCC 1913334178 MFHDSLNLJSBJLC-ZIAGYGMSSA-N 279.399 4.538 30 10 CJEE C=CC[C@H](C)OC[C@H](NCCC)c1ccc(F)cc1Cl 1913347174 VZCMSFLAMAROHJ-LRDDRELGSA-N 299.817 4.501 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC3(CCCCC3)C2)c(F)c1 1915874434 SZFLMDVSTKCNDN-CQSZACIVSA-N 272.367 4.612 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1ccc(SC)cc1 1919410704 ZQDIOEZHBNGKSX-QGZVFWFLSA-N 294.460 4.703 30 10 CJEE CCCCCCC[C@](C)(N)C[C@@H]1[C@H]2CCCC[C@H]21 1919516366 VMNIQSOKFRDMDB-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 1919698981 WPWIBUWWQYRBQY-BDJLRTHQSA-N 276.763 4.846 30 10 CJEE CCCCCCC[C@](C)(O)c1cccc2cnccc12 1919872146 MVXCXVIGLGPJIH-SFHVURJKSA-N 271.404 4.803 30 10 CJEE CCCCCCC[C@@]1(N)CCSc2ccccc21 1920459984 GZOKYGYDMBHJQO-MRXNPFEDSA-N 263.450 4.697 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@](C)(O)CCCCCCC 1920922629 XGMSUUCPCLJXSG-HOTGVXAUSA-N 289.891 4.609 30 10 CJEE C=C([C@@H](CCC1CCCCC1)NCC)[Si](C)(C)C 1922859513 GJQKEWSZIDLZRW-MRXNPFEDSA-N 267.533 4.759 30 10 CJEE C=C([C@H](NCC)[C@@H](CC)c1ccccc1)[Si](C)(C)C 1922876172 SWNIVCXAULMXJA-IRXDYDNUSA-N 275.512 4.592 30 10 CJEE C=C([C@@H](O)c1scc(Cl)c1Cl)[Si](C)(C)C 1923006692 CEXJJWXNUZEFAY-SECBINFHSA-N 281.280 4.522 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](O)CC(CC)CC 1926161400 IQCKMAOXARSLQP-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=CCCCCCC(=O)C(C)(C)CC(F)(F)F 1941577255 YKTMBPBJZLHDKQ-UHFFFAOYSA-N 250.304 4.671 30 10 CJEE CCCCCCCN(CC)CCCOCc1ccccc1 1956946840 FIBOOEGNSNPUSR-UHFFFAOYSA-N 291.479 4.886 30 10 CJEE C=CCC[C@H](C)c1cc(C)cc(Br)c1F 1958084689 CDQXPABRUHXIRF-JTQLQIEISA-N 271.173 4.966 30 10 CJEE C=C(CC)C[C@](C)(O)c1cc(Cl)sc1Cl 1961429397 OAPKRKBCEKTRPW-NSHDSACASA-N 265.205 4.619 30 10 CJEE CCCCCCC[C@H](O)c1ccc(N(CC)CC)cc1 1962726257 CQTZXVNEQXFUNN-SFHVURJKSA-N 277.452 4.927 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)c(Cl)s1 1978976344 ATNJIWLSWNJYJC-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cscc2Cl)C1 1983399017 IHKKTCFLCZBCFE-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCCCCCN(C)Cc1ccsc1Cl 1991244586 FMQMEERWJGYFLT-UHFFFAOYSA-N 259.846 4.804 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccc(C)cc1Cl 2011351467 LRRIROWFLJRELP-CQSZACIVSA-N 255.764 4.562 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(C)cc(Br)c1 2016160455 GBLVIAYOXTYEMF-NHYWBVRUSA-N 296.252 4.620 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cc(Cl)cc(Cl)c2)C1 2021017586 DDLMHMVOCUJGFG-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CCC[C@@H](C)[C@H]1C 2022995033 WKFRVSBUPGPGCV-MGPQQGTHSA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(C)c(C)s1 2024026138 OGAGNZMXJABXRX-HNNXBMFYSA-N 254.439 4.933 30 10 CJEE C=C(C)CCCNC1CCC(C(C)(C)CC)CC1 2027879069 KRWFCUUNUHXWKZ-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H]1Nc2cc(Cl)c(F)cc2O1 2028025390 VWCVCBVJHDHNFR-CQSZACIVSA-N 271.763 4.970 30 10 CJEE CCCCCCCCCCS[C@@H](C)[C@H](C)C(=O)O 2028534605 CFWIPZSKACZILV-KBPBESRZSA-N 274.470 4.970 30 10 CJEE CCCCCCCC[C@]1(F)CCC[C@H](CCN)C1 2038862408 NUADWGUELRMMQJ-CVEARBPZSA-N 257.437 4.984 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCC[C@H](C)CC2)CC1 2039359737 MNPFNNOWGCXBCD-XKQJLSEDSA-N 250.426 4.700 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)C(=Cc1cccc(F)c1)CC2 2040457028 HTLQFKCXIPSJFP-UHFFFAOYSA-N 280.342 4.655 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1cc2sccc2s1 2045231872 BGOKBYTXRYAXDA-UHFFFAOYSA-N 284.352 4.891 30 10 CJEE CCC[C@@](C)(C=O)C[C@@H]1CC12CCC(F)(F)CC2 2047012998 SEUPNEWUEHYMRG-CHWSQXEVSA-N 258.352 4.597 30 10 CJEE C=CCC[C@@H](C)n1c(S)nc2cc(F)c(Cl)cc21 2048236310 LLJONZCEAJLNFJ-MRVPVSSYSA-N 284.787 4.645 30 10 CJEE C#CC(C)(C)C[C@@H](CCCCCCC)NCCC 2048682816 BEMYSZSZCCWZHZ-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE C=C(C)C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 2051370811 BYALNAYFFNYCIY-CYBMUJFWSA-N 262.736 4.600 30 10 CJEE C[C@H](CC[C@]1(C#N)CCCCC12CCC2)C(F)F 2053371217 NAFWROMIGAHLSX-DOMZBBRYSA-N 255.352 4.922 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C(C)C)C(F)(F)F 2053762750 GLFDTSJLTQFJGF-QWHCGFSZSA-N 267.379 4.912 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WKDGPELSURBWQM-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE CC1=C(C)C[C@H](CNc2ccc(Cl)c(C#N)c2)CC1 2343482830 KBLMMYQFKKPHFF-CYBMUJFWSA-N 274.795 4.760 30 10 CJEE CC(C)c1cccc(CC(=O)C2=CC[C@H](C)CC2)c1 2343751714 ODMLYWFGRFULQE-AWEZNQCLSA-N 256.389 4.668 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cnc2sccc2c1 2344381896 ODSSHGRPPHTUML-ZBFHGGJFSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc(CC2CC2)c1 2344398156 VRCZEOQLQYUILN-SFHVURJKSA-N 256.389 4.814 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1CC(F)(F)C12CCC2 2344420972 OSRIXBWIVONZGH-TZMCWYRMSA-N 270.363 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(C(F)F)c1F 2344463831 GYDZNUONEGYJMS-DZGCQCFKSA-N 272.310 4.789 30 10 CJEE CCCCCCCC[C@H](N)C12CC(CC(F)F)(C1)C2 2344879461 ZPBXIHKVUJSMMU-JEYLPNPQSA-N 273.411 4.890 30 10 CJEE CC1(C)CC[C@H](CCOc2cc(Cl)ccc2C#N)C1 2344881236 LNIMCGOMBGUINE-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CCC(C)(C)N(CCC#N)CC[C@H]1CCC(C)(C)C1 2344894247 JODILZUFXGRBNV-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE C=CCCCCCCCS[C@@](C)(C(=O)O)C(C)(F)F 2352145550 XLXXVNJVBVCHTB-ZDUSSCGKSA-N 294.407 4.745 30 10 CJEE Cc1sc(CN(C)C[C@H](CS)CC(C)C)c(C)c1C 2353841137 JOLMHIAXMIITRS-OAHLLOKOSA-N 299.549 4.697 30 10 CJEE C=CCCCC[C@H](NCC)c1ccc(F)cc1SC 2353844697 IWVDQKPFCVMZCF-HNNXBMFYSA-N 281.440 4.945 30 10 CJEE CCCCCCCCCCCCN[C@H]1[C@@H]2CCCO[C@@H]21 2355548049 YFZRPQVSLKFKRF-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CCO[C@@H]1C)NC 2355649287 GUPYZPYGKRNESH-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCC#C[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358541094 MDKYVJOXQFKBCY-VJANTYMQSA-N 275.480 4.765 30 10 CJEE C=CC[C@@H](C)Sc1cccc(OC)c1CN[C@H](C)CC 2360379886 ZETYWCPQGNLSFP-ZIAGYGMSSA-N 293.476 4.640 30 10 CJEE C=CCOc1ccc(CN[C@H](CCC)c2ccccc2)cc1 10436055 DGELDYVCRSDYLK-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CN(C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 35250474 YJKYNWVMICCZRM-YQQAZPJKSA-N 276.468 4.605 30 10 CJEE Cc1cccc([C@@H](C#N)Nc2cccc(Cl)c2)c1C 43315148 ABQVGELDAKQCQV-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#C[C@H](C(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 49898011 SNFWFRXGYULTAF-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE N#C[C@@H](CCOc1cccc(F)c1)c1cccc(Cl)c1 57685935 VCNKNKSRAXBPNG-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCCCCCCOc1ccc(OC)cc1CNC(C)C 59178649 HLZSYNHOMCWJPH-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE CC(C)(C)CC(C)(C)Nc1cc(C#N)c2ccccc2n1 68772689 LJQDXMXNKRSLPZ-UHFFFAOYSA-N 281.403 4.733 30 10 CJEE CCCCCCCCCCNCCCCCC[N+](C)(C)C 77286505 PLDKEQAGZSIRJK-UHFFFAOYSA-N 299.567 4.983 30 10 CJEE in-vitro CCCCCCCCCCCCN(CC)CCC(=O)O 88230964 SDUMFSURPVCUMM-UHFFFAOYSA-N 285.472 4.704 30 10 CJEE CC[C@H]1CCC[C@@](C#N)([C@@]2(O)CCC[C@@H](CC)CC2)C1 91903282 PUKYWGLBMWGAJV-XMTFNYHQSA-N 277.452 4.818 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(C#N)cc1Cl 94326349 YNWCWYWHXPMCGP-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cccc(C3CC3)c2)cc1 94521307 ZCNZNIYAAMFUCZ-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)c1ccccc1F 94579455 YHHOOVAGLGOFJC-CYBMUJFWSA-N 283.456 4.555 30 10 CJEE CCCC(CS)(CCC)COc1ccc(OCC)cc1 94582500 UBVCOHDFMZMKJV-UHFFFAOYSA-N 296.476 4.981 30 10 CJEE Cc1cccc(CSC[C@@H](CS)C(C)(C)C)c1 94589551 MUKOXPGVUVSJFA-CQSZACIVSA-N 268.491 4.820 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)C2(CC(C)C)CCCC2)c1 94902803 AZCYSKRDSDUWML-QGZVFWFLSA-N 283.415 4.778 30 10 CJEE CC(C)Cc1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1 94904965 SZJXYFSSKYFLDT-GOSISDBHSA-N 285.431 4.783 30 10 CJEE CCCCCCC[C@](C)(NC)c1nc(C)c(C)s1 104439954 SMTUPOUQHJOBTK-HNNXBMFYSA-N 268.470 4.555 30 10 CJEE CC#C[C@@H](C)Cc1c(C)c(Cl)cc(C)c1OCCC 107651643 VSDYAAORUCFYAS-GFCCVEGCSA-N 278.823 4.948 30 10 CJEE CCCCCCCCC[C@@H]1Cc2ccccc2[C@@H]1N 110445832 ZCCUZMUFPMVLEU-SJLPKXTDSA-N 259.437 4.999 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cc(C)ccc1/C(C)=N/O 111780371 FDQUZVZAGHLQBC-NBVZEGQWSA-N 275.392 4.541 30 10 CJEE CCCCCCCCCCCC[C@H](NC)c1ccn(C)n1 115689185 YLDZEBAUKBFDED-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccc(F)cc1 115858055 AJXZTBZTDALAPV-INIZCTEOSA-N 275.367 4.753 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccccc1[N+](=O)[O-] 115862136 IGSIBRAJYAZPGG-INIZCTEOSA-N 293.407 4.639 30 10 CJEE CCCCCCCCCn1ccc([C@H](O)C2CC2)c1 118247882 PTKQPLFQZJCRRD-QGZVFWFLSA-N 263.425 4.682 30 10 CJEE CCCCCCCC[C@@H](CNC)c1ccc(F)cc1 118655154 QPRCREKYGFMTFA-INIZCTEOSA-N 265.416 4.879 30 10 CJEE CC(C)NCc1ccc(SCCCC(C)(C)C#N)cc1 124156031 HOMRDQFREMRTPO-UHFFFAOYSA-N 290.476 4.607 30 10 CJEE CSc1cccc(Nc2ccc3c(c2)CCC3)c1C#N 136608844 PIALXZBFDLSMSN-UHFFFAOYSA-N 280.396 4.512 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 156123052 WHSYNAKILFICQV-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE CCCCCCCCNc1cc(Br)ccc1N 160769646 OWRQTCYTIRDSPP-UHFFFAOYSA-N 299.256 4.804 30 10 CJEE CCCCCCCCCCC[C@@H](NC)C1=CCCO1 160793067 FIPTWXMZNJTYBP-MRXNPFEDSA-N 267.457 4.800 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCCCN1 169018243 MJOYOZSFJRSSMU-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CCC(CC)(CC)Nc1ccc(C#N)cc1Br 213286937 XAKAGCBJGPDCMZ-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@@H]1Nc1ccc(C#N)cc1 214838213 POPMTLXZFXMMSP-KRWDZBQOSA-N 296.801 4.947 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@@H](C(C)C)CC1 227428315 YKCQTNGZMFVDGR-RTBURBONSA-N 296.543 4.822 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC(C)C 227925978 HBXVCFPRRJCIIP-IPMKNSEASA-N 277.496 4.868 30 10 CJEE N#CC1(Cc2cc(Cl)cc3c2OCC3)CCCCCC1 228551900 YMZNIGWRBQVBLU-UHFFFAOYSA-N 289.806 4.682 30 10 CJEE CCCCCCCC[C@@H](N)c1cnc2ccccc2c1 229527887 ZXYUGIALJMWPDF-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE Cc1cccc(N[C@@H]2CCC[C@H](C(C)C)CC2)c1C#N 232734834 SAYJYKFUWRCHLE-JKSUJKDBSA-N 270.420 4.884 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](C)C[C@@H]1C 232976964 XXBUXRWXQXCGFV-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCSc1cccc(Br)c1C#N 233095788 WFLQYOZBKIHSSQ-UHFFFAOYSA-N 284.222 4.603 30 10 CJEE CCC[C@H](C)[C@H](C#N)Sc1cccc(Br)c1 233341503 XISHRLZLIFPPNN-GWCFXTLKSA-N 298.249 4.870 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(C(C)(C)C)cc2)CC1 235293126 UQEFKMKUOFCRBP-ZDUSSCGKSA-N 256.389 4.913 30 10 CJEE CCC[C@H]1CCCN(C[C@H](CS)c2ccccc2)CC1 251255509 BLUILSYYTYBOPA-FUHWJXTLSA-N 291.504 4.602 30 10 CJEE C[C@@H](F)c1cc(F)c(F)c(C2(C#N)CCCCC2)c1 260111304 GNHSQVXCQZRALV-SNVBAGLBSA-N 267.294 4.721 30 10 CJEE COc1ccc([C@H](C)C#N)cc1C1CCC(C)CC1 260878307 SBIUBYNTUMIJFX-ROKHWSDSSA-N 257.377 4.616 30 10 CJEE C[C@@H](Nc1ccc(C#N)cn1)c1cc2cc(Cl)ccc2o1 301297481 YKXFQCOVBDAECJ-SNVBAGLBSA-N 297.745 4.526 30 10 CJEE CCCC[C@@H](CC)[C@H](CC#CC(C)(C)C)NCC 305895809 HPVIPXMIIFJDRY-CVEARBPZSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(F)c(OC)c1 312437410 MOIBAUJDVXIMOS-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cnc2ccccc2c1 312479019 GYRFOJCRRIGJCZ-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C[C@@H]1C[C@@](C#N)(Nc2cccc(Cl)c2)c2ccccc21 380318133 MYPOEJZRPOJMEU-PXAZEXFGSA-N 282.774 4.678 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(CC)CC1 380662131 HYIIVRVZBDMDOC-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](N)[C@H]1C 381539343 CRIBGPGBCLEQCY-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CC1(C)OB(CCCSC2CCCCC2)OC1(C)C 382091940 ZAQGKQYREYVBMW-UHFFFAOYSA-N 284.274 4.535 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)CCCN 382229458 UKBMISBYLASQFQ-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE N#CC1(Cc2cccc3cccnc23)CCCCCC1 383260971 LFVSWTGVOWFWKN-UHFFFAOYSA-N 264.372 4.641 30 10 CJEE N#CC[C@H]1CCC[C@H](c2cccc(Cl)c2Cl)O1 383773246 NQBQBHCJXOPBJK-BXKDBHETSA-N 270.159 4.517 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCSc1ccccc1 384884166 RQBRMXWIPVXKHR-HOCLYGCPSA-N 259.418 4.889 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@@H](C2CCCCC2)CS1 386139261 QKFIOBPHAUROBF-GOEBONIOSA-N 296.524 4.843 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@H](C)C1CCCCC1 387138350 IMTQUQJGBGJEJI-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)CCC(C)C)CC1 388522006 JSJASOVDYGBXLF-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 388563662 PYWQXZJHVZAASN-BXUZGUMPSA-N 269.310 4.995 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)[C@@H]1NCC 389353734 ZKRQRDUONWXAJJ-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(F)ccc1Cl 394046410 CVEIFYJMUVSXRE-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE Cc1ccc(SC[C@H](C#N)C2CCCC2)cc1C 397342261 MUKVLBMIKJPICD-HNNXBMFYSA-N 259.418 4.726 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@@H]1CCCN1 400405050 RAPSMLLKHPIDCG-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE CCCCCC[C@@H](C)OCc1ccc(C#N)c(F)c1 404058902 HMDLNBHDQBDWMG-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE CC(C)(C)N1CC[C@@H](c2cccc(C#N)c2)c2ccccc21 616584616 BYBCIHCXHOZPGW-KRWDZBQOSA-N 290.410 4.699 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(CC)s1 686689825 UWNSPUPIBDYFJF-OAHLLOKOSA-N 263.450 4.545 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CCC[C@H]2C[C@H]21 694461888 QCMGPKVEQQFSLI-YESZJQIVSA-N 297.552 4.871 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@@H]1CCCC2(CC2)C1 695758261 VUXOJYNXUXLUGR-GFCCVEGCSA-N 274.795 4.594 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](CC(C)(C)C)NC 695956051 HUTGKFPFXQBCOL-IRXDYDNUSA-N 285.516 4.902 30 10 CJEE CCCC(CS)(CCC)CN1CCC(F)(F)C[C@H]1C 697739338 NMCGSVSHGORFNJ-CYBMUJFWSA-N 293.467 4.622 30 10 CJEE CCCCCCCn1c(C)cc2c1CC(C)(C)C[C@H]2O 703712772 LRFQXPZFMPDBKO-QGZVFWFLSA-N 277.452 4.773 30 10 CJEE CCCCCCCn1c(C)cc2c1CC(C)(C)C[C@@H]2N 703747831 HXHZYUXWATZLDA-INIZCTEOSA-N 276.468 4.739 30 10 CJEE CN(C[C@H](C#N)C1CCCCC1)[C@H]1CCCC(C)(C)C1 708600386 KAGGMZQQENFPPA-IRXDYDNUSA-N 276.468 4.607 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(Cl)cc1Cl 710619817 IZIWOSVUDVOARV-GFCCVEGCSA-N 278.610 4.787 30 10 CJEE C#CCCCCC[C@@H](C[C@H](CC)C(C)(C)C)NC 711176188 DHOAMRZOICTPKE-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCCCCC[C@@]1(C)[C@H](NCCC)CCN1CCC 712248275 YBYSWVXYSDNHKH-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 715704428 JQBBFHRBCVHDDK-OEEFBXJYSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCN[C@H]1CCC[C@@H](OC)CC1 718358831 BGXDSJBFHJKDDO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC(=O)C[C@H](COC)C(C)C 721752512 LNJQCBBYGVUIRN-OAHLLOKOSA-N 256.430 4.615 30 10 CJEE C=CCN(c1cccc(Cl)c1CNCCC)C(C)(C)C 723199112 OPUHLNUHVNALJC-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE N#CCc1cc2ccc(OC(F)F)c(C(F)F)c2s1 725293573 GASJAAPRFIHFIP-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C=CCN(C(=O)C[C@H](CC)C(C)(C)C)c1ccccc1 1124757924 YFGCLILEMOUXOC-HNNXBMFYSA-N 273.420 4.668 30 10 CJEE C=CC[C@H](C(=O)O[C@H]1CCCC(C)(C)C1)c1ccccc1 1129519493 JJQUAQLFSPNZGD-IRXDYDNUSA-N 286.415 4.858 30 10 CJEE C=C(CC)CNC(=O)c1sc2cc(C)c(C)cc2c1C 1129714918 SSYTXBLUPORCSE-UHFFFAOYSA-N 287.428 4.523 30 10 CJEE C#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 1134901068 UMRDCUOFKGRNPC-UHFFFAOYSA-N 297.357 4.587 30 10 CJEE C#CCCNC(CC)(CC)c1ccc(Cl)c(Cl)c1 1192004297 HPWGTFCQFMXHSP-UHFFFAOYSA-N 284.230 4.622 30 10 CJEE C=CCC1(CNC(=O)Nc2ccc(C)cc2C)CCCC1 1197457381 CZTFMTFPTQEGSA-UHFFFAOYSA-N 286.419 4.561 30 10 CJEE C#CCCCCCC(=O)Nc1cccc(OC2CCCC2)c1 1264392822 DAFXZAYRWHQBOK-UHFFFAOYSA-N 299.414 4.530 30 10 CJEE C=CCC1(C(=O)N2CCC(C)(CC(C)C)CC2)CCCC1 1298859678 UCWIZOVKDXLKNY-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=C(C)CCN1CC[C@@H](C)Sc2ccc(Cl)cc21 1307568830 WMYJQEFWDNBGAE-GFCCVEGCSA-N 281.852 4.997 30 10 CJEE C=CCCCCCCCNC(=O)N(C)C[C@@H]1CC=CCC1 1312826865 WHRFYNMCUFZWCS-QGZVFWFLSA-N 292.467 4.511 30 10 CJEE C#Cc1cccc(NC(=O)c2ccc(Cl)c(CCC)c2)c1 1349543241 FXHSYNWOJDLZKL-UHFFFAOYSA-N 297.785 4.526 30 10 CJEE C=C(C)CN(CCc1ccc(CC)cc1)Cc1ccccc1 1460052994 FTGSURYLLONPMO-UHFFFAOYSA-N 293.454 4.870 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc2ccccc12 1460488035 MQQUYGCWBJEQCR-HDICACEKSA-N 263.384 4.523 30 10 CJEE C=C(C)c1cccc(NCc2cc(F)cc(F)c2)c1 1461815852 ZAONNMXECYZVFZ-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=CC[C@@H]1N(C(=O)NCC[C@H](C)CCC)CCCC1(C)C 1479195662 GQDKPSJGHUAJSL-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCCc1ccc(Cl)cc1 1520521840 WOVPAZYGELITBR-AWEZNQCLSA-N 293.838 4.524 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc(C(C)C)cc2)CCC1 1533031821 LGIOSCVESVOIEI-UHFFFAOYSA-N 271.404 4.519 30 10 CJEE Cc1ccc(C#N)cc1NC(=O)CCC1CCCCCC1 1533805537 GOUSADZBMPUVEO-UHFFFAOYSA-N 284.403 4.556 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc(Cl)c1F 1537755465 JCDDQCBBGRJPAE-JTQLQIEISA-N 284.758 4.686 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(C)cc1 1545005794 FBYDFOWRPHMUOQ-UHFFFAOYSA-N 273.420 4.642 30 10 CJEE C=CC[C@H]1N(Cc2cc(Cl)cs2)CCCC1(C)C 1560793371 NJZDUHQAHQFDBL-CQSZACIVSA-N 283.868 4.968 30 10 CJEE C=CCCC1(CNC(=O)C2(C)CCC(C)CC2)CCCC1 1587244209 NNAAVZPYRNQNSE-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc(C)c1Cl 1623153329 BPUDMISXBQZZEJ-UHFFFAOYSA-N 280.799 4.515 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(C(C)(C)CC)cc2)C1 1640102971 ATKLKCWKZISFGA-UHFFFAOYSA-N 271.404 4.669 30 10 CJEE C=C(CC)COc1ccc(-c2cccnc2)cc1Cl 1641347629 ZNAJAXKQYFYWOO-UHFFFAOYSA-N 273.763 4.747 30 10 CJEE C=CCCCCN1C[C@@H](c2ccccc2)c2ccccc21 1645456130 BHPMFHTWPNMEJO-IBGZPJMESA-N 277.411 4.995 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](CC)CCCC 1652654594 MLXGPALUMBDYFT-ZWKOTPCHSA-N 259.437 4.732 30 10 CJEE C=CCC1(CNC[C@@H]2CCCC(C)(C)C2)CCCC1 1656244476 UBYUSNWVRZSQTO-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(CC)(CC)C(F)(F)F)C1 1658460231 RAUICXWASYINCP-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)C(C)(C)C 1659346272 DKHHCUZHEBRLCN-ZACQAIPSSA-N 289.850 4.614 30 10 CJEE N#CCc1cc(Cl)ncc1-c1c(Cl)cccc1Cl 1848375070 HFRKUNCITSVDGX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C[C@@](C)(CC1CCC(CCC)CC1)C(=O)OCC 1877945251 HEXOXLNHCJHYIL-DQPZFDDXSA-N 266.425 4.738 30 10 CJEE CCCCC[C@H](CC)NC[C@H](C#N)C1CCCCC1 1879155305 QVRCOVGYNNSATQ-IRXDYDNUSA-N 264.457 4.655 30 10 CJEE CCCCCCCCCN1CCc2ccccc2C1 1883430015 QCQVHRKTLBKGKF-UHFFFAOYSA-N 259.437 4.795 30 10 CJEE CC#CCCCC[C@@]1(CNC)CCCC(C)(C)CC1 1885237983 RMUZZHSPHPTOJS-GOSISDBHSA-N 263.469 4.766 30 10 CJEE Cc1cc(Cl)cc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c1 1885274596 NISXNJYGXOULNF-KBPBESRZSA-N 292.615 4.598 30 10 CJEE C=C1CCC(C[C@]2(O)C[C@@H](C)c3ccccc32)CC1 1886406205 XHIJTROLAIGNAF-RDTXWAMCSA-N 256.389 4.518 30 10 CJEE CCCCCCCN(C)Cc1csc(C2CCC2)n1 1887042090 QOKRHQFPXUZSKQ-UHFFFAOYSA-N 280.481 4.813 30 10 CJEE CCCCCCCCN(C)Cc1cc(N)ccc1Cl 1887138140 OXRVOSFBXAMEKS-UHFFFAOYSA-N 282.859 4.715 30 10 CJEE 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ZJUWBULYBNUWSL-ZDUSSCGKSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC=CCC1)OCC(=O)O 2291604508 PJEONFRZOVUACY-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC1(OCCC(=O)O)CCCCCC1 2291668503 HMXUGYCMVBXSCT-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCC[C@@H](CC)C1 2291746538 AYSDOFQNKDCDLY-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@@H](CC)OCCC(=O)O 2292487477 SXQVAAYSURGVOK-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CC#CCCCC[C@@H](CCCCCCCC)OCCN 2292827732 HGBFDJVNTCABFA-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCC[C@]1(OCCN)CC[C@@H](C)[C@H]1C(C)C 2292909422 OOCIAUAPPWCZGA-KURKYZTESA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@]12CCC[C@H]1C2 2294451975 FWXPDDFMZRZTHL-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE C=C[C@H](C1CC1)N(C)Cc1c(C)c(C)c(C)c(C)c1C 2294683394 SPMDASNLVLAQSD-LJQANCHMSA-N 271.448 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@](C)(CCC)C(=O)O 2295531552 MEMDCUVGDFOJPA-WBVHZDCISA-N 285.472 4.749 30 10 CJEE CCCCCCS[C@@H]1CC[C@@H](C)[C@](C#N)(NC(C)C)C1 2295761970 SESVFJIGWLYNNM-ZACQAIPSSA-N 296.524 4.749 30 10 CJEE CCCCCCCc1ccc(C(C)=CC(=O)O)cc1 2297212686 NDKSRUPCDJRIFZ-UHFFFAOYSA-N 260.377 4.687 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2C[C@H](SC)C2)C1 2299364837 RJRZQXPKZXPFCX-KBUPBQIOSA-N 251.439 4.628 30 10 CJEE CC1(C)CC(CS)(CSCC2[C@H]3CCC[C@H]23)C1 2304520396 ICOIQNIDFGIBIC-RYUDHWBXSA-N 270.507 4.502 30 10 CJEE CC[C@@H](CS)COCc1cc(F)c(Cl)cc1Cl 2306233115 BYFVYQRECFZFHS-MRVPVSSYSA-N 297.222 4.605 30 10 CJEE C=C1CC(C[C@@H](N)c2c(Cl)cc(C)cc2Cl)C1 2307610833 BJIAOLMQRBWWJK-CYBMUJFWSA-N 270.203 4.658 30 10 CJEE CCCCCCCCCC[C@]1(O)CC[C@H]1SC 2307617370 LIEJAIFFVYJJPR-CABCVRRESA-N 258.471 4.774 30 10 CJEE C=CCC(CC=C)SCCCC[C@@H](C)NCCC 2313650834 JMEUGMVYSWOXNE-OAHLLOKOSA-N 269.498 4.799 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CC)CC[C@H]1C#N 2313661061 LVGXFZPDYVJWDG-OFQRWUPVSA-N 263.450 4.959 30 10 CJEE CCCC[C@](C#N)(CC)[C@@](C)(O)CCCC(C)C 2315892357 SRMQCZSRLHGIEX-HOTGVXAUSA-N 253.430 4.674 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2320253916 HXFQLPOUDJLMTR-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H](CC)CC(F)F)NCCC 2321099352 QYONLAGRWDCUDD-BFHYXJOUSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C1C[C@H](C)C[C@@H](C)C1 2321132761 AUPDLLKLYDYZQG-SRABZTEZSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)C(=O)C[C@H]1CCCC[C@@H]1C(F)(F)F 2321145137 NEEINHVVDBJRDB-TUAOUCFPSA-N 262.315 4.527 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1cccc(Cl)c1C 2321147616 JBEGKCIPVJNIGH-HZPDHXFCSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2321217000 LZSCCDWJYSJFSE-JJTUDDRGSA-N 250.426 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(F)c(C)cc1Cl 2321219528 JKZYURFRIVAJND-LSDHHAIUSA-N 270.775 4.813 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CC2(CC(C)C2)C1 2321234644 SZNYMLILTSPWTC-VHUWHVEYSA-N 250.426 4.556 30 10 CJEE CC1(C)CC(CS)(COc2cccc(Cl)c2F)C1 2321742303 YLLRZUIEQCVMNO-UHFFFAOYSA-N 288.815 4.594 30 10 CJEE CC(C)C[C@@H](CS)COC1CC(CC(C)(C)C)C1 2328522618 ISYSHSALGDBZRO-SHARSMKWSA-N 272.498 4.810 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2332949074 QXVJCILMUCRPSN-BWJWTDLKSA-N 258.405 4.518 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@@H](NC)CC(C)(C)C1(C)C 2335096405 MKXQZXXEWDUAJK-LSDHHAIUSA-N 281.509 4.653 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2335340413 SVXJEQWBOGAIEX-GPMSIDNRSA-N 285.497 4.996 30 10 CJEE CC1(C)CC=C(C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338800455 IFNFZQZJVUBQFH-OFQRWUPVSA-N 260.421 4.908 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339076337 LOSACIPWPLZYKV-MHORFTMASA-N 263.469 4.783 30 10 CJEE Cc1c([C@@H](N)CC#CC2CCCC2)ccc(Cl)c1Cl 2339139383 ILDFWHAJVQEKNJ-HNNXBMFYSA-N 296.241 4.885 30 10 CJEE C=CC[C@](C)(NCCCC1=CCCCC1)C(F)(F)F 2341038773 SLWXJFIYRJORCM-AWEZNQCLSA-N 275.358 4.754 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@@H]1C1CCCCC1)NCC 2344345698 OIQBEEYJWWHSBT-OWLYRPNTSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CC(C(F)(F)F)C1)NC 2344348593 MFTFABACODSCFT-MBHSVXNSSA-N 277.374 4.545 30 10 CJEE O=CC1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCCCC1 2352732110 MQALSUTVCZWNML-BETUJISGSA-N 276.342 4.895 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1CCC)NC 2357789500 SCOQHFGCGOORDQ-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H]1CCC[C@H]1C(C)C 2359888557 QRUOLKZWBNNYNE-OTWHNJEPSA-N 275.480 4.621 30 10 CJEE Cc1nc2c(cc(OCCCC#N)c3ccsc32)s1 19804824 XYMDITRDKOPJPE-UHFFFAOYSA-N 288.397 4.502 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(Cl)c(C#N)c2)c(C)o1 36973491 SGDZBOAHDAFCMZ-JTQLQIEISA-N 274.751 4.595 30 10 CJEE Cc1ccc(C)c([C@H](C)Nc2ccc(CC#N)cc2)c1 37071249 JAGUBYOTKRSASL-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE Nc1cccc(C#Cc2ccc(C3CCCCC3)cc2)c1 37547856 JIIIEZUSDBZHJP-UHFFFAOYSA-N 275.395 4.716 30 10 CJEE O=C(C1=CCCCCC1)C12CC3CC(CC(C3)C1)C2 50325325 NCRRYBKFGVKIAI-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 51635242 UIBGMSLIGYZLDW-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(C(F)(F)F)c1 54823215 HNVDHJZINQIWTF-BXUZGUMPSA-N 282.309 4.590 30 10 CJEE Cc1cccc(CS[C@H](CC#N)c2ccccc2)c1 55023061 YESOUNGXBDUJDL-QGZVFWFLSA-N 267.397 4.883 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(Cl)cc1 59090585 DUVTZWYWHKJNBY-ZDUSSCGKSA-N 253.817 4.961 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)NC)cc1OC 59178986 CVEIBASDSRMRND-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE Cc1cc(C)cc(Oc2nc3ccccc3cc2C#N)c1 71390555 VGKVYULJQMETJJ-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE C=CCCn1c(C)c(C)c2cc(CNC(C)(C)C)ccc21 80053181 IJMPVGSZIPOJCT-UHFFFAOYSA-N 284.447 4.722 30 10 CJEE CC(C)(C#N)CCN(C1CCCCC1)C1CCCCC1 87595043 LCAVHQPBVDNVBG-UHFFFAOYSA-N 276.468 4.894 30 10 CJEE C=CCC[C@H](CSc1cccc(Cl)c1)NCCC 90239489 JJPSSCHUTYYBHO-CQSZACIVSA-N 283.868 4.767 30 10 CJEE C[C@H](CCS)CCN(C)[C@@H](C)c1cccc(Cl)c1 94579570 PFPAGKQJGJGMMP-STQMWFEESA-N 285.884 4.679 30 10 CJEE CC(C)(C)c1ccc(OCCCS)c(C(C)(C)C)c1 94582448 OQMCGLYBVAJWPE-UHFFFAOYSA-N 280.477 4.980 30 10 CJEE CC[C@H](CS)CSc1ccc2ccccc2c1 94589291 WNTJXOCUKZISBI-GFCCVEGCSA-N 262.443 4.888 30 10 CJEE COc1ccccc1N(C)CCCCCCCCCS 97799334 GMYFJCXKDABGSL-UHFFFAOYSA-N 295.492 4.792 30 10 CJEE CN(C)c1cccc(OCCCCCCCCCS)c1 97799812 NTYUFGYRMHEXEL-UHFFFAOYSA-N 295.492 4.792 30 10 CJEE CCCCCCCNc1cccc(-c2cnco2)c1 103031271 AOSQSHSYURUHDL-UHFFFAOYSA-N 258.365 4.724 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1NC 103978089 VDAOIQNAEBQKAL-IXDOHACOSA-N 269.473 4.530 30 10 CJEE Cc1cccc(/C=C2/CC[C@H](C3CCCC3)C2=O)c1 104375808 LVQOJXPPHKBCIH-TXQCQQFXSA-N 254.373 4.548 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1c(C)cc(OC)c(C)c1C 107637690 YWHAUYPSIZVRFR-GXTWGEPZSA-N 258.405 4.773 30 10 CJEE N#Cc1ccc(Cl)cc1O[C@H]1CCCc2ccccc21 110260025 KZGSHZFUTIYXPD-INIZCTEOSA-N 283.758 4.668 30 10 CJEE CCCCCCCn1nc(C)c([C@H](CC)NCCC)c1C 110267845 YZQPVPYLBKZUMA-KRWDZBQOSA-N 293.499 4.921 30 10 CJEE CCCCCCCCC[C@H](O)c1ccccc1F 112887895 WVCWBIRKXSFRGN-INIZCTEOSA-N 252.373 5.000 30 10 CJEE CCCCCCCCCCCCN(CCC)C1CNC1 116896197 RZQLOKRLEHJDBP-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@@H](CN)c1ccccc1F 118863194 LTYUKEOOEXMVMJ-AWEZNQCLSA-N 251.389 4.619 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(C)ccc1F 122198837 OSBCKCOESGELHZ-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](OC)C(C)(C)C 123386756 CGVZMJWPRAMBLH-HOTGVXAUSA-N 272.473 4.939 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CC(C)=O 124924802 JBSPWCLWIIFTDG-GOSISDBHSA-N 281.484 4.961 30 10 CJEE CC[C@](O)(Cc1ccccc1)C1(C#N)CCCCCCC1 125257008 HHSJKCWPLOVGSY-IBGZPJMESA-N 285.431 4.624 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C)cc1Br 125699168 QGIBUHTXIFZUSO-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCOc1ccc(F)cc1[C@H](C)N 125900629 DHUUBZFWWDRVBL-AWEZNQCLSA-N 281.415 4.975 30 10 CJEE CCCCCCC[C@@H](N)Cc1cccc(Cl)c1F 126262825 JDNDRPPOZAQWMG-CYBMUJFWSA-N 271.807 4.709 30 10 CJEE Cc1ccc([C@@H](Nc2ccc(F)cc2C#N)C2CC2)cc1 126317267 YNNYFVGDAOYNNC-GOSISDBHSA-N 280.346 4.569 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(C)CCCCO1 127567443 YZTHXWJNJZQFQK-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCCn1ccn(C2CC2)c1=O 130229328 GUHRKYLXCBUEDC-UHFFFAOYSA-N 292.467 4.906 30 10 CJEE CSc1cccc(N[C@@H](C)C2CCCCC2)c1C#N 130544514 LEHYPQGKSWPXFA-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@H](NC)c1snnc1CC 143415619 JOULRSHVALAAMD-HNNXBMFYSA-N 297.512 4.892 30 10 CJEE C=C(CNc1ccccc1OC(F)(F)F)c1ccccc1 148005984 OXRFAXXCBLOGSF-UHFFFAOYSA-N 293.288 4.711 30 10 CJEE Cc1cc(OC[C@@H](C#N)CCC#N)c(C(C)C)cc1Cl 153148748 FMZKCENXIGKUPQ-CYBMUJFWSA-N 290.794 4.594 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)c2ccccc21 163678530 PEWNFFHAVKUZMH-FZKQIMNGSA-N 262.356 4.609 30 10 CJEE CCCCCCCCNC(=O)c1oc2ccccc2c1C 170565714 BIYBCLHDJCXTAZ-UHFFFAOYSA-N 287.403 4.832 30 10 CJEE C[C@H](N[C@H](C#N)c1cccc2ccccc12)c1ccccc1 196581738 OHLWVWCLGKLJJT-MGPUTAFESA-N 286.378 4.755 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccccc1C(C)C 203445752 GIPSIUPDNKUBSQ-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCN(C1CCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 223136314 YXVBFUNLSOBQHO-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3cc(C)ccc3[nH]2)C1 227143334 SMDYBYMOVTUTDJ-IOASZLSFSA-N 299.443 4.682 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cccc(Cl)c2F)C1 228392235 ZNKSYJUDCWHXDN-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCCC[C@H](Cc1ccco1)NCCC 229185862 NYYGEWZQPALQKO-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@H](CC(C)C)C1 230779466 PWXIPBGKAFTMRL-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCNc1ccccc1N(C)C 232951915 UVEPVDAKXFXALD-UHFFFAOYSA-N 262.441 4.915 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCC(C)(C)C1 232974824 SHMABWZTNNCZAJ-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(F)cc(F)c1 233543733 ULKRAHMKNJHTLL-INIZCTEOSA-N 267.363 4.752 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(F)c(F)c1 233608677 MDKMOCWCLSRQEB-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)[C@H]1CCCCC[C@H]1C#N 251589289 XILHBYUZGCVUPC-KEYYUXOJSA-N 290.838 4.805 30 10 CJEE CCCCCCCC[C@]1(CNCC(C)C)CCCO1 315793908 ZMTLBDIBMCHEFQ-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCCC2(F)F)C1 317254539 DUQAGVRCVMDPSW-ILXRZTDVSA-N 272.379 4.988 30 10 CJEE CC(C)C1CCC(C=O)(Cc2ccc(F)c(F)c2)CC1 317440649 JEJFZKSESACRLL-UHFFFAOYSA-N 280.358 4.539 30 10 CJEE C[C@H]1C[C@@H](C2(C=O)CCC(C)(C)CC2)CC[C@H]1C 318867610 DBRTYYIAOIIZMW-ILXRZTDVSA-N 250.426 4.844 30 10 CJEE C[C@@H]1CC[C@@H](C2(C=O)CCC(C)(C)CC2)C[C@H]1C 318867619 DBRTYYIAOIIZMW-RBSFLKMASA-N 250.426 4.844 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC23CCCC3)C1 328120151 QSRNZOUVJQILTP-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CCCCCCCCC/C=C1\[C@H]2C[C@@H]3CN[C@H]1[C@H]3C2 328397193 ABUAOLQHSZMQIR-XECYNQRSSA-N 261.453 4.681 30 10 CJEE C=CC(C)(C)CN[C@H](CCC)c1ccc(Cl)cc1 384759712 ACOROAOTIHWWSN-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](C)CC(F)(F)F 402808304 LHWMXGROTHVYRG-NWDGAFQWSA-N 253.352 4.653 30 10 CJEE CCCC1CCC(C#N)([C@H](O)C2(C(C)C)CCC2)CC1 686138687 MDPHLVLNICXRPM-CGZBRXJRSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@]1(CNC)C[C@H](C)O[C@@H]1C 686470378 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IAVFLVRIYYNILI-DISONHOPSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)C1=CCC(F)(F)CC1 2344347699 DHXHRKGJJTTYHB-AWEZNQCLSA-N 271.395 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1c(F)ccc(CC)c1F 2344350209 ZUHMOTIOLKHGDU-HOTGVXAUSA-N 267.363 4.519 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353046985 BIFUAXRCKZMXRB-ABAIWWIYSA-N 296.241 4.754 30 10 CJEE CCC(CC)(CC)CNc1ccc(C#N)c(SC)c1 2353826716 WMQGRJJQDUHRJM-UHFFFAOYSA-N 276.449 4.908 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358541510 XYHQSEGQFPJOLU-XSLAGTTESA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@](C)(F)CC[C@H]1NCCC 2360324864 SXEPWMHQNZADPW-BRWVUGGUSA-N 299.499 4.889 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCC(C)(C)[C@](C#N)(NC(C)C)C1 2360331540 UZFZHAZUBBNAGP-UXLLHSPISA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCc2ccccc2[C@H]1N 2360336520 KXJAIXKEVPFNKS-QZTJIDSGSA-N 287.472 4.645 30 10 CJEE C=CCC(CC=C)Sc1ccc(CN[C@H](C)CC)cn1 2360375283 OFMPSWPEGZOMBM-CQSZACIVSA-N 290.476 4.583 30 10 CJEE CCCCN(c1ccccc1)[C@@H](C#N)c1ccccc1 5309143 DOMVEENIFGOMAU-SFHVURJKSA-N 264.372 4.558 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)cc1 37345180 RGQCFLGHIUBCDQ-SWLSCSKDSA-N 277.795 4.733 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 37937964 IPCPHIYWCUXMCQ-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C=CC[C@@H](CCCCCC)NC(=O)OCc1ccccc1 38316275 QLDOGDTURTWDFY-KRWDZBQOSA-N 289.419 4.828 30 10 CJEE N#Cc1c(Cl)cccc1NCc1ccc(F)c(Cl)c1 53158190 WADGQMCHNPEPKF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccccc2)cc1C 57684639 YNUGCWSZKGDSCJ-SFHVURJKSA-N 279.383 4.688 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCCCOc1ccccc1 57686780 DSWGVKWSRLNIAX-QGZVFWFLSA-N 279.383 4.852 30 10 CJEE C[C@@H]1CCC[C@H](CCNc2ccc(Cl)cc2C#N)C1 71029740 LLZRHWZCVJGPSQ-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE C=CCCOc1c([C@@H](C)NCCC)ccc2ccccc12 71274420 YNLQPFLMHKFCKD-OAHLLOKOSA-N 283.415 4.855 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2cccs2)cc1Cl 83194344 JSYKHXXUBMIXOQ-VOTSOKGWSA-N 292.787 4.696 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCC(C)(C)C#N 87608952 YFPUVOSKUVXGJS-BZUAXINKSA-N 265.441 4.794 30 10 CJEE CC(C)N(Cc1cccs1)C[C@@H](CS)C(C)(C)C 94580891 VJKAWWLZQQCFMO-ZDUSSCGKSA-N 285.522 4.551 30 10 CJEE CC(C)c1cccc(OC[C@@H](CS)c2ccccc2)c1 94582619 CTGQPHYPADBTGO-KRWDZBQOSA-N 286.440 4.902 30 10 CJEE CCCCCCCNCc1cn(CC)c2ccccc12 100669764 SKFXCICQLMKFIX-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCn1c(CCC)nc2c(N)cccc21 104324854 RZHWXNWEUQSIRZ-UHFFFAOYSA-N 273.424 4.541 30 10 CJEE CCCCCCCN1C[C@H](CC)Nc2ccccc21 106598516 ZOFDUJPLNZOVMK-HNNXBMFYSA-N 260.425 4.668 30 10 CJEE C[C@@H]1O[C@@H]1C[C@@H](C)c1c(Cl)ccc(Cl)c1Cl 107503831 RUMZFKBXRHHDAW-MATHAZKKSA-N 279.594 4.928 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc(COC)c1 109919294 XHBBCTRRTJJOEZ-MRXNPFEDSA-N 277.452 4.672 30 10 CJEE CCCCCCCO[C@@H](c1ccc(C)s1)[C@@H](N)CC 109987501 VSOQFGLIIRJGMN-GOEBONIOSA-N 283.481 4.822 30 10 CJEE CCN(c1ccc(C)cc1)c1ccc(C#N)c(Cl)c1 110257531 FKGCJUQRTCSGQJ-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCCCCCCCCN[C@@H](C)Cc1ccccc1 110464731 YGWMAVXTRKBDHE-KRWDZBQOSA-N 261.453 4.958 30 10 CJEE CCCCCCCC[C@@H](CN)Cc1ccc(F)cc1 110520647 NTZJNOBXRBAYTF-MRXNPFEDSA-N 265.416 4.694 30 10 CJEE CCC[C@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccccn1 113652242 KTUNRXSJJRQLKH-IAGOWNOFSA-N 298.430 4.645 30 10 CJEE CCCCCCCC[C@@H](CSCCC)NCC 114862002 SCSOHKSQDKBGMN-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC)cc1C 115062568 RJZGEOBFOGYUGB-QGZVFWFLSA-N 263.425 4.754 30 10 CJEE C=CC[C@@H](NCCC)c1cc2sccc2s1 122324526 NLHVUFFLTYDINT-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE N#Cc1ccc(OCC2CCCCC2)c(C(F)(F)F)c1 122412808 CCWNDTKYDYOWHP-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(C)nn(C)c1Cl 122444163 PBJWOWYEXNFUPJ-CYBMUJFWSA-N 286.847 4.556 30 10 CJEE C#CCCC[C@@H](CCCCCCCCC)NCC 122962377 CWUUKTIZLBCSJF-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 126555414 FMMQUCABESFDPI-LJQANCHMSA-N 297.442 4.735 30 10 CJEE CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1F 127229356 FVMRUUOUIIIFRH-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CC(C)c1ccccc1Oc1cc(C#N)ccc1[C@@H](C)O 131688634 FRIPKHFHKVQLBO-CYBMUJFWSA-N 281.355 4.527 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 134152834 QVVYMISSXBNQSW-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CCCCCCCCCC[C@H]1CSC[C@@H]1NCC 134607457 KSSVFPDLZNTIRU-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCCCCCCC[C@@H](O)c1ccn(-c2ccccc2)n1 135380991 NEQYVUOOTANWCL-GOSISDBHSA-N 286.419 4.656 30 10 CJEE CCCCCCCCCCNc1ccc(CO)cc1 144311607 KNIJOHQJHPJMPF-UHFFFAOYSA-N 263.425 4.732 30 10 CJEE CCCCCCCCn1c(C(C)(C)C)cnc1S 147268688 UIDQRXSKIQBOKO-UHFFFAOYSA-N 268.470 4.830 30 10 CJEE CCCCCCCCCCC[C@H](O)C1=COCCC1 157862396 IOLHFQQLCATEJR-KRWDZBQOSA-N 268.441 4.963 30 10 CJEE CCCCCCCC[C@]1(O)CCc2c(F)cccc21 158117489 OYVFDRXUWRYITI-KRWDZBQOSA-N 264.384 4.710 30 10 CJEE CC1CCC(CCNCc2ccc(C#N)cc2Cl)CC1 162725818 YBXWABRNYYLMOQ-UHFFFAOYSA-N 290.838 4.518 30 10 CJEE CC#CCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 168107941 UTUSZWMRHODFHR-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](CC)CSC 168572553 ZFYQJIBSPQZAKP-CQSZACIVSA-N 291.570 4.576 30 10 CJEE CC1(C)Cc2ccccc2[C@@H]1Nc1ccc(C#N)c(Cl)c1 213189351 RHLITEJMCPHYRX-KRWDZBQOSA-N 296.801 4.947 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(F)c2)C1 218428156 HZYRMLXGVPZUAK-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CCCCCCC[C@H](O)Cc1cc(Cl)cc2c1OCC2 228501902 GYPLPJMNWRBEHJ-INIZCTEOSA-N 296.838 4.539 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)c1cc(F)c(Cl)cc1Cl 229908449 OQQCEDMPVPXGTN-ZJUUUORDSA-N 288.193 4.585 30 10 CJEE CCCCCCC[C@H](C)NCC1(SC)CCC1 232946149 DZRZFGXWDVZULJ-AWEZNQCLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@]1(C)CC 250822935 LZUTXHIRXSAGIX-MJGOQNOKSA-N 296.543 4.836 30 10 CJEE CC(C)(C)CCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 302298990 MPCBETFDLUYRDG-JTQLQIEISA-N 298.213 4.996 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 310612718 AEABBCLQOCERGK-CQSZACIVSA-N 284.230 4.694 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccccc1C(F)(F)F 312263397 OWIKYYPRPXXZOP-CQSZACIVSA-N 288.353 4.969 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](CC)C2CCC2)C1 325549374 KJZZKLRGRIHJGY-VDHUWJSZSA-N 276.468 4.605 30 10 CJEE CCCC1CCC(C#N)(CCC2(OC)CCC2)CC1 381789250 ZUEWTTVHXIWSGW-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE C[C@H]1CCC[C@@](C#N)(c2ccc(C(F)(F)F)cc2)C1 382161066 HUBDIHQRZIGHOY-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cnc(Cl)cc2Cl)C1 385566924 WGCDFBCBVMKQBN-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC2CCC2)cc1 385599085 CNHZIVQDGHEHHP-SFHVURJKSA-N 275.436 4.978 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2nccc3ccsc23)C1 388789448 NZBAVHQKSHCHST-LRDDRELGSA-N 270.401 4.658 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCCC23CCCC3)c1 394253330 GMCJEBBUTZWEPP-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CCCCCCCCCCC/C=C(/C)COCCN 395516931 XNBDUYPNRKIHLB-LGMDPLHJSA-N 269.473 4.829 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCCN[C@@H]1C 396634225 GYSPRCBDDKQNFC-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](c1ccccc1)C(F)(F)F 398191764 XMSSBKVRKQTPJU-OCCSQVGLSA-N 271.326 4.624 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(Nc2ccccc2)c1 467717510 CTQAQALQJMEKBF-OAHLLOKOSA-N 294.398 4.971 30 10 CJEE C=CCC[C@H](NCc1ccc(C2CC2)cc1)c1ccco1 552283767 JWIQISQZXUBBAA-SFHVURJKSA-N 281.399 4.954 30 10 CJEE CC(C)CC[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688314540 GNAHXDUNJKHZBR-AWEZNQCLSA-N 265.441 4.530 30 10 CJEE C=C([C@H](NC)C1CC(C)(C)CC(C)(C)C1)C(F)(F)F 688344852 UCPZBQHWWJZLST-LBPRGKRZSA-N 277.374 4.545 30 10 CJEE CCCCCCCC[C@H](N)C(C)(C)C(F)(F)F 690208415 IUXJDMPAWJXAJS-NSHDSACASA-N 253.352 4.653 30 10 CJEE N#Cc1cc(NCc2cc(F)ccc2Cl)ccc1Cl 690216513 QSUZWEIIEQXCIO-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCCCC[C@]1(CNCC(C)C)CCOC1(C)C 693191746 FWSIOWOCKGGYNL-GOSISDBHSA-N 281.484 4.554 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)c1ccc(Cl)cc1C#N 696192935 CURISPRALYNAOK-CYBMUJFWSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)[C@H](C)N 696943334 NGCYUURPVRWBBF-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@H](CC#CCOC)NCCC 698880176 RZWZRAUEXVHVSH-GOSISDBHSA-N 281.484 4.535 30 10 CJEE CCCCCCCCCC(=O)Cc1nccn1C(C)C 699949463 OKCYJJHWTNYAJO-UHFFFAOYSA-N 278.440 4.716 30 10 CJEE CC(C)CC1(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 701494790 JXPUBAQMWSJFIA-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE Cc1ccc(CSc2ccc(Cl)cc2)cc1C#N 701869835 YKXYKSCNQNXEGU-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE N#Cc1ccc(NCCc2cccc(Cl)c2)c(Cl)c1 702858120 IYXSVFSDGZHPQX-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)[C@]12CCCC[C@H]1C2 709254725 VQSAVIUFHNAJME-HLLBOEOZSA-N 283.525 4.623 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@H]1CNCCC 710616632 KRZJBTKTGYAQCR-KBPBESRZSA-N 257.849 4.571 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CC[C@H](C2)C1 711119799 PHRSIGWFRBKAJN-FICVDOATSA-N 273.445 4.955 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(NC)c1 711924603 UYYAOFAZFBNTHT-KRWDZBQOSA-N 263.425 4.902 30 10 CJEE C=C(CN[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 714288918 FJJZWHBNADBGSQ-GUDVDZBRSA-N 269.432 4.648 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CCCC(C)(C)O2)CC1 714370728 QGQDNMZWKRODQW-CQSZACIVSA-N 263.425 4.834 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCCC(C)(C)O2)CC1 714384060 XBTSMLIBZYMYKW-PQUAAJSLSA-N 280.452 4.900 30 10 CJEE C=CC[C@H](C)Nc1cc(F)c(Br)c(Cl)c1 715038144 GNYATLOHNACQHJ-ZETCQYMHSA-N 292.579 4.618 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C(CC)(CC)C(F)(F)F 715707006 VAQXCPNTUWFAPQ-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE C=CC[C@H](C)[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC 715796105 ODPCJJUKBJJPDM-LAQRGFTBSA-N 259.437 4.617 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccccc2Cl)s1 719459496 UWDSEKUISAFAMI-CYBMUJFWSA-N 276.792 4.695 30 10 CJEE C=C1CCC(CN[C@H](c2ccc(F)cc2)C2CC2)CC1 724441263 WGDWRKXJYKUATL-SFHVURJKSA-N 273.395 4.613 30 10 CJEE C=CCCC[C@H](NCc1oc(CC)nc1C)c1ccccc1 880390895 YCVIFKFHVZVXHL-KRWDZBQOSA-N 298.430 4.733 30 10 CJEE C=CCC1(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)CCCC1 1161685655 FAKBLSNYSBTMGQ-INIZCTEOSA-N 289.463 4.550 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H]1CCC[C@H]1c1ccc(C)cc1 1269821258 ZWVPIXBUPGZMEB-IRXDYDNUSA-N 286.415 4.777 30 10 CJEE C=CCN(C(=O)/C(C)=C\c1cccc(Cl)c1)C(C)(C)C 1279620260 HBTWQMZKLROZMS-QBFSEMIESA-N 291.822 4.556 30 10 CJEE C=CCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 1294954214 NKHZXRQIBKIJFQ-OAXWQBPPSA-N 297.442 4.827 30 10 CJEE C=C[C@H](OC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1437636562 DGJFQURCAPBBDA-ZQIUZPCESA-N 272.388 4.529 30 10 CJEE C=CCC[C@H](NC(=O)CC[C@@H](C)CC)c1ccccc1 1458138363 YJSVJSCISNNJBQ-RDJZCZTQSA-N 273.420 4.636 30 10 CJEE C=CCCCCCCCNc1ccc(C)cc1[N+](=O)[O-] 1458413955 KABQOPCKKVLJAH-UHFFFAOYSA-N 276.380 4.842 30 10 CJEE C=CCCCCCN1CC[C@@H](c2ccc(Cl)cc2)C1 1459508346 CAGKQOUTBZSNTC-MRXNPFEDSA-N 277.839 4.876 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc(Cl)sc2Cl)C1 1460360003 IUXHQWWWFAORQN-JTQLQIEISA-N 290.259 4.843 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 1460766707 QSRRWQUZEIAVEE-GOSISDBHSA-N 299.458 4.774 30 10 CJEE C=C1CCC(CNC(=O)N(CC(C)C)C(CC)CC)CC1 1471283134 DOOCNDPKAVHXGO-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CCCCCCN(Cc1ccc(C#N)cc1)CC(C)C 1473130606 XBORYZQGSAMDIQ-UHFFFAOYSA-N 284.447 4.763 30 10 CJEE C=C(C)CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1473368534 CUVQDUMZCHZPEU-UHFFFAOYSA-N 282.214 4.659 30 10 CJEE C#CC1(NCc2ccc(-c3ccccc3F)s2)CCCC1 1474246790 GRGXIYDWGSTFGJ-UHFFFAOYSA-N 299.414 4.590 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](C)C1CCC(F)CC1 1474646361 RZBTUNJFHRFAHM-SLTXQBBLSA-N 255.421 4.628 30 10 CJEE C=CCCCCCCNC(=O)c1ccsc1C(F)F 1520906080 WVIRKBGKUNLHQP-UHFFFAOYSA-N 287.375 4.552 30 10 CJEE CC#CCCCC(=O)N[C@H](c1ccccc1)C1CCCCC1 1525340161 HSLSAHRYNAKPRA-HXUWFJFHSA-N 297.442 4.618 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](CC)C(C)C)c1ccccc1 1532002566 ZZEDWSKCIYQORN-GDBMZVCRSA-N 260.377 4.529 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C)cc1Cl 1587021299 ITGIGBAHFRCUAO-UHFFFAOYSA-N 279.811 4.515 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)C1CCCCC1 1587233314 FJAZNDRVQMGCGF-CGTJXYLNSA-N 291.479 4.844 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C=C/C1CCCCCC1 1587775848 AODGGDJZPRMUJQ-OUKQBFOZSA-N 277.452 4.622 30 10 CJEE Fc1cc(F)cc(C#Cc2c(Cl)cccc2Cl)c1 1614731159 PNPQIYIPHIXFHX-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE CCCCCCCCCCNC(=O)/C(Cl)=C/Cl 1615949376 WOUJGZYHWDKKMT-QXMHVHEDSA-N 280.239 4.562 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2OC(C)C)c1 1618528867 SBDCMLSKACDEMR-UHFFFAOYSA-N 295.382 4.759 30 10 CJEE C=CCCc1ccccc1N[C@H](C)C1CCSCC1 1621279415 VMBMFNRGLXYNPJ-CQSZACIVSA-N 275.461 4.749 30 10 CJEE CC#CCN(Cc1cccc2ccccc12)C1CCCC1 1644529427 FZSZNHJIGVBDLQ-UHFFFAOYSA-N 277.411 4.608 30 10 CJEE C=CCCCCCCCNCc1cncc2ccccc12 1651167846 BMKLJTZJZHONHD-UHFFFAOYSA-N 282.431 4.851 30 10 CJEE C=CC[C@H]1N(C[C@@H]2CCC3(CCCC3)O2)CCCC1(C)C 1654317862 LMCARPKAOLKAQE-DLBZAZTESA-N 291.479 4.545 30 10 CJEE C=CC1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 1657329251 IFAFSTYHWNXFCA-GFCCVEGCSA-N 299.336 4.544 30 10 CJEE C=C(C)CCNCc1cccc(-c2ccccc2C)c1 1657407949 VOCUQDFHQVVQAQ-UHFFFAOYSA-N 265.400 4.718 30 10 CJEE C=C(C)c1cccc(NCc2ccc(OC)c(Cl)c2)c1 1658721470 WYEWNUWZGMNDDN-UHFFFAOYSA-N 287.790 4.994 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCCCCC 1685719911 SGERZKUGXZDXFR-SJORKVTESA-N 294.483 4.781 30 10 CJEE N#Cc1cccc(Cl)c1-c1cccc(C(F)(F)F)c1 1848368314 GBEALXRODSAUCZ-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE N#C[C@@]1(C2CC(c3ccccc3)C2)C[C@H]2CC[C@H]1C2 1875849182 WHDKRBHAPWZWAV-GBEWZMAZSA-N 251.373 4.510 30 10 CJEE CCCCCCCCCC[C@@H](O)C12CCC(CC1)O2 1876797386 NDKRBBMSRQHOFW-AQFXKWCLSA-N 268.441 4.590 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@@H]1CCCC(C)(C)C1 1887452996 OLTLLHVZVCVPBC-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccc2sccc2c1 1888718131 DVLINPLVCCWPMN-KRWDZBQOSA-N 265.381 4.615 30 10 CJEE CC(C)O[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 1901191180 BUYSDUACXTWUMJ-SECBINFHSA-N 278.566 4.636 30 10 CJEE C=C(CC)C[C@H](O)c1cc(F)c(Cl)cc1Cl 1904361907 QSFZCUFJIVCYMV-LBPRGKRZSA-N 263.139 4.522 30 10 CJEE CC(C)C[C@H]1C[C@@H]1N=C1NC2(CCCCCCC2)CS1 1911823394 OZTYIKRGIAIFPB-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE CC[C@@H](C)C[C@H](C)N=C1NC2(CCCCCCC2)CS1 1911834642 NKZOWAVOTJFVQO-CABCVRRESA-N 296.524 4.987 30 10 CJEE CCCCCCCCO[C@H](CC)CNCc1ccccc1 1915413916 LVHKEGXNTUJJTM-LJQANCHMSA-N 291.479 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C[C@@H]1CC(=O)C=C(c2c(Cl)cc(F)cc2Cl)C1 2299037164 GXHXMIIQCFQVPR-ZETCQYMHSA-N 273.134 4.515 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)C1CCC(C)(C)CC1 2316740983 HMXCFOKMDZYLLS-QGZVFWFLSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@H](N)Cc1cccc(Cl)c1Cl 2316752350 NNDGJIOELXSTFZ-CQSZACIVSA-N 284.230 4.632 30 10 CJEE C=C([C@@H](CCC1=CCCCC1)NCC)[Si](C)(C)C 2317978151 ZJHCPWYQVMNJOY-MRXNPFEDSA-N 265.517 4.679 30 10 CJEE CCCCCCCCC[C@@H](F)[C@@]1(C)CCCCN1 2318839983 KWKIMLUSNDABBY-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2320194043 GHJIZRRELXEENT-JKSUJKDBSA-N 251.458 4.737 30 10 CJEE CC1=C(C)C[C@@H](C[C@@]2(C#N)CCC(F)(F)C2)CC1 2320331723 SBSWTBLDBUJMKJ-KBPBESRZSA-N 253.336 4.842 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc2cccc(Cl)c2o1 2321108293 ODUPOFZXFYXCOS-QMTHXVAHSA-N 263.768 4.559 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H](C)C1CCCCC1)NCC 2321128553 UITLILIDFLTFOR-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc(Cl)cc2)c(C)c1 2328603795 LEFGSTQKNIXGPR-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCC[C@H]1C)NN 2328768640 FKLAPRRPZVSHNS-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330168190 BSWOBOYGIYQZGG-XGUBFFRZSA-N 273.411 4.746 30 10 CJEE CCCCON=C(c1ccc(C(C)C)cc1)C1CC1 2330303398 PSZQVWDQWATMPA-UHFFFAOYSA-N 259.393 4.741 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)Cc1ccc(Cl)cc1 2337093937 KDAXDLVNOBRMJV-LXZKKBNFSA-N 277.839 4.605 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CCSc2ccccc21 2337107003 ODOBPZHXQCHDPW-BMFZPTHFSA-N 273.445 4.558 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc2c(c1)CCCC2 2338733933 AEMQHOROUBIJHV-UHFFFAOYSA-N 254.373 4.517 30 10 CJEE C=C1CC([C@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)NCC)C1 2338922389 ZEFBFYHHRUIIGV-OVWQWFNUSA-N 261.453 4.537 30 10 CJEE C=C[C@@](N)(CCCC1=CCCCC1)c1ccccc1 2341074860 KKYQHLOFLZUMCX-GOSISDBHSA-N 255.405 4.697 30 10 CJEE CC(C)c1cccc(COCCCC(C)(C)C#N)c1 2343792824 NBGGNTOWKSWXAP-UHFFFAOYSA-N 259.393 4.657 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)c(C)cc1C 2344375591 DAXMGYWBZKBHDW-QGZVFWFLSA-N 259.437 4.865 30 10 CJEE CC(C)C[C@H](CS)COc1cccc2ccccc12 2353822343 LRLDRZJXYFMMHQ-AWEZNQCLSA-N 274.429 4.811 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2355842766 IPJDGPDNHFJPPT-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccc(C(C)(C)C)cc1 2360209923 KDKMPVVSHRAPCW-UHFFFAOYSA-N 272.388 4.662 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H](C)CC1CCC1 2360324323 OYAZEZXLKVQLOK-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCCN1CC[C@@]2(CO[C@H](C)C2)C1 2360618816 DVVKHMNJFZXMMJ-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 37393207 PBXAZVCLQZSDHS-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccco1 54084706 UPYPSSZJGIISNZ-LBPRGKRZSA-N 294.276 4.733 30 10 CJEE C[C@H]1CCC[C@@H](S[C@@H](CC#N)c2ccccc2)C1 55023039 OZEZAGHVNKCMAA-IMJJTQAJSA-N 259.418 4.953 30 10 CJEE Cc1cc(C)cc(OCC[C@](C)(C#N)c2ccccc2)c1 57687632 NMIRVYIFCNAWON-LJQANCHMSA-N 279.383 4.554 30 10 CJEE CCCCCCCNc1ccc(OC(F)F)cc1 59090568 DRXWFNVAWQWULN-UHFFFAOYSA-N 257.324 4.670 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1ccccc1Cl 71389723 JWOMNRLWNWOSHU-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCC(CC)n1ccc(C[C@]2(C#N)CC[C@H](CC)C2)n1 87996620 VEOYTQFAJVJGAB-YOEHRIQHSA-N 273.424 4.507 30 10 CJEE Cc1ccc(Cl)cc1Oc1ccc(C#N)cc1Cl 88729850 QVBYDYALDFOISR-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE Cc1cccc(Cl)c1Nc1cccc(Cl)c1C#N 90537807 WAONTNFGSCSGGM-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)c(Cl)c2)CCCCC1 91880651 RMRJJZSZDNIZOG-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE CCN(CC1(CS)CCCCC1)c1cccc(F)c1 94580153 VMTNMAYULDEHFV-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE CN(Cc1cccc(Cl)c1)CC1(CS)CCCCC1 94580265 VMNVVRLTBOVSCN-UHFFFAOYSA-N 297.895 4.652 30 10 CJEE Fc1ccc(F)c(SCC2(CS)CCCCC2)c1 94589296 VWPBHTMPMTZNBD-UHFFFAOYSA-N 288.428 4.937 30 10 CJEE C=CCCC[C@H](CSc1ccc(F)cc1)NCCC 97330777 QFOWZEUAEUBAKD-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE CCCCCCCCOCCCC[C@](C)(C#N)NCCC 106113095 SPPOIYJRJJJTAX-GOSISDBHSA-N 296.499 4.816 30 10 CJEE C=C[C@]1(C)CC[C@@]2(C)c3ccc(O)c(C)c3CC[C@@H]2C1 106896923 IWKVPNDFCCPGEV-NIKGAXFTSA-N 270.416 4.897 30 10 CJEE biogenic CC[C@@H]1O[C@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579384 VHRAVCCBWOXNSX-XPGWFJOJSA-N 296.410 4.937 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc(Cl)cc1 109718721 XLEYLVQCOWYSIN-MRXNPFEDSA-N 267.844 4.960 30 10 CJEE CCCCCCCCC[C@H](CSC(C)C)NC 115644681 MIWLOHJLOXKMCC-OAHLLOKOSA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCc2ccccc2C1 116262837 JEDACASINVWVTL-RTBURBONSA-N 274.448 4.903 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1ccc(F)cc1 116633074 NAIFBARHRAHUKT-MRXNPFEDSA-N 266.400 4.727 30 10 CJEE CCCCCCCCCCCC[C@H](CN(C)C)NCC 118217747 BPJXMKUMSBXGLY-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCC(=O)c1ccc(F)cn1 125712381 URHTWBXEFVYQOK-UHFFFAOYSA-N 251.345 4.544 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnn(CCC)c1 125821842 ZCBVOLCFYBENRP-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](CCC)OCC 125915083 FBRASSKTSQPPGE-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE N#C[C@@]1(Cc2cc(F)ccc2Cl)CCCc2ccccc21 126011741 WHFQTBDMYDZBCE-SFHVURJKSA-N 299.776 4.819 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCN(CC)CC1 129315117 SOFUKTWMIHGEFC-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CCC[C@@H](C)Nc1c(C)cc(C)cc1Br 132038539 SPWQVWBJTCLTKQ-GFCCVEGCSA-N 282.225 4.833 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccccc2C#N)c2ccccc21 163676329 GZKHUNMVCRODSX-ACJLOTCBSA-N 262.356 4.609 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(N)cc1 166639753 AGFOFROXXLAPGD-UHFFFAOYSA-N 261.409 4.982 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccn([C@@H](C)CC)n1 168462091 PCDYWKRQNJHEEJ-IRXDYDNUSA-N 293.499 4.865 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 212250853 QGFHDVFZTMAIRT-PMPSAXMXSA-N 263.469 4.783 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1cc(F)cc(C#N)c1 226586077 DIIMKPIIMVSCBU-KKXDTOCCSA-N 289.394 4.675 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 226974591 YLJSUQQRFNWLPR-QBIMZIAESA-N 286.394 4.633 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@H]2C)c1C#N 230683944 FUEVHVCGQOXDIP-OLZOCXBDSA-N 274.433 4.518 30 10 CJEE Cc1sc(C(C)(C)C#N)nc1-c1cccc(Cl)c1 231790648 JBRNJTBRQDVCLP-UHFFFAOYSA-N 276.792 4.573 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cc(OC)cs1 233124684 KNGJWHQZGFRKMA-HNNXBMFYSA-N 281.465 4.934 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1ccc(C#N)c2ccccc12 235540880 VBBJHDPFIQBHFR-SUMWQHHRSA-N 264.372 4.702 30 10 CJEE C=CCCCCC[C@@H](O)Cc1cccc(Cl)c1F 236548331 UCGFKFZTKJYBNH-CYBMUJFWSA-N 270.775 4.519 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1[C@H](C)CC 250836575 VHXSOFIWHGLARZ-FGTMMUONSA-N 296.543 4.691 30 10 CJEE Cc1nn([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c(C)c1Cl 250991831 OJIDOHPSAGPTSM-BFHYXJOUSA-N 293.842 4.680 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@H](CS)C(C)(C)C 251571637 BXLOCBCVWRFYSX-MGPQQGTHSA-N 258.471 4.564 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C[C@H]1C 251647480 FKDGZYNQFDMLTL-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@H]1CCC[C@H]1O 253104747 ZPMMKBLHXMOCPH-GUDVDZBRSA-N 295.511 4.753 30 10 CJEE Clc1ccc(C=Nc2nnc(-c3ccccc3)s2)cc1 256003764 UDJDDUYXXQTJJM-UHFFFAOYSA-N 299.786 4.609 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 299991950 LQIJPHXPZPVIDL-BRWVUGGUSA-N 275.436 4.978 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C#N)c(F)c1 307927516 OJCBECAJBSYKJD-PVUWLOKVSA-N 274.383 4.570 30 10 CJEE C=CCCCCCCNc1nccc2ccccc12 312065855 KSFQYFUPZJSCNW-UHFFFAOYSA-N 254.377 4.783 30 10 CJEE CC(C)(C)c1ccc(C[C@@]2(C=O)C[C@H]3CC[C@H]2C3)cc1 316741309 LXCXYQCIUDVPTI-IEZWGBDMSA-N 270.416 4.532 30 10 CJEE C[C@H]1CN(CCCCCCCCCS)C(C)(C)C1 380380760 OMRIPUXRPXSTMI-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnc(OC)s1 380799031 KEJJZWLKYAMTSW-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCCC2(F)F)C[C@H]2CC[C@H]1C2 382109018 KQUTYYPRXKVWIS-XUXIUFHCSA-N 253.336 4.532 30 10 CJEE C=CCCCCCCNCc1ccc([C@@H]2C[C@H]2C)o1 382226825 TUODOWKTOYGYQU-GDBMZVCRSA-N 261.409 4.629 30 10 CJEE CCCCCCCCOc1nc(C)c(C#N)cc1Cl 382292340 JAVUCSHQKFOMFJ-UHFFFAOYSA-N 280.799 4.654 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CCC(F)(F)C1 386531527 WSQYYVJRWXVLGJ-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CC(C)(C=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1 387562979 YLNCFYRZHCPKKB-UHFFFAOYSA-N 276.420 4.638 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)CC1 393431221 OVZXSDSCXWUHJO-NNCLKIPCSA-N 275.436 4.834 30 10 CJEE CCCCCCCCCC[C@@]1(O)CSC[C@@H]1C 393885415 RMUQPPNJTOQUTO-LSDHHAIUSA-N 258.471 4.631 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2C[C@H]3C=C[C@H]2CC3)CC1 402402021 PWVGBORXTVDLPF-WHRQZHCMSA-N 260.421 4.764 30 10 CJEE CCC[C@H](CS)CO[C@H](CC)c1ccccc1 403309772 UAYTWGKSLCZAGH-DZGCQCFKSA-N 252.423 4.500 30 10 CJEE COc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 575379549 GZTMHIXJGCKORA-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C#CCCCCC[C@H](O)[C@H](c1ccccc1)[C@H](C)CC 686685663 LEKONOXABVIJRE-NEWSRXKRSA-N 272.432 4.761 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H](C)CC(C)(C)C 686691938 XHCFGESETJYVTP-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCNc1nsc2ccccc12 687708930 ZORAREVSXSYWQG-UHFFFAOYSA-N 260.406 4.845 30 10 CJEE C[C@@H](CCC#N)Nc1c(Cl)cc(Cl)cc1Cl 695834168 BDBFFFGIIZHUDL-ZETCQYMHSA-N 277.582 4.751 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1c(C)cc(C)cc1C 701871018 DIBOLEXUHSBKBM-INIZCTEOSA-N 259.437 4.865 30 10 CJEE C=CC[C@H]1CCCCN(c2cccc(Cl)c2[C@H](C)O)C1 703688688 PRLUOBMDQURYOO-KBPBESRZSA-N 293.838 4.576 30 10 CJEE CCCCCCCNC(=O)c1cc(Cl)nc(C(C)C)c1 703779164 DNJNEPHFHVKCEI-UHFFFAOYSA-N 296.842 4.559 30 10 CJEE CC1(C)CO[C@@H](CC2(C#N)CCC(C(C)(C)C)CC2)C1 708459813 OUVBIPZMQPWAFZ-SWKXRBFHSA-N 277.452 4.938 30 10 CJEE C=C(Cl)CCc1ccc(Br)cc1Cl 710677882 PEEBINJXSYCLSL-UHFFFAOYSA-N 279.992 4.788 30 10 CJEE CCCCCCCCC[C@@H]1[C@H](NCCC)CCN1CC 712150030 FLVOIFSGBOZWGP-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCCC2)CS1)c1ccco1 713193915 LJMLOQQJBMNHSE-CYBMUJFWSA-N 292.448 4.516 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)cc(Cl)c1 715768031 HGCFHNRWPIYNEH-CJNGLKHVSA-N 265.828 4.901 30 10 CJEE CC[C@@H]1C[C@@H](C)S/C(=N/CCCCCCC(C)C)N1 716903656 ZWLHHVMNJBREID-HUUCEWRRSA-N 284.513 4.843 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717254161 VNDIIBRMLXXLOD-KLHDSHLOSA-N 250.426 4.988 30 10 CJEE C=C(C)CC[C@H](NCC)c1csc(C(F)(F)F)c1 718618300 VSKCAJMMCKNLEJ-NSHDSACASA-N 277.355 4.774 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Cl)ccc2C)CC1 724551431 DAUHEZAMHVRYJK-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2[C@H]3CCC[C@H]32)CC1 724606849 XGTCGNNMLPHXEB-XDNAFOTISA-N 261.453 4.537 30 10 CJEE CCC[C@H](CC)/N=C1/N[C@H](C2CCCCC2)CCS1 725086590 YDJGKESKOILKNR-GJZGRUSLSA-N 282.497 4.597 30 10 CJEE CC(=NNc1ccc(OC(F)(F)F)cc1)C1CCCC1 733076830 VHAPWPHBURVDHX-UHFFFAOYSA-N 286.297 4.563 30 10 CJEE C(=NNc1ccccc1)c1cccc(Oc2ccccc2)c1 1084236277 XDCZJCBFWBRLQB-UHFFFAOYSA-N 288.350 4.925 30 10 CJEE Cc1ccc(C=Nc2ccc3nc(S)sc3c2)cc1 1084239687 RDRREQMTFJQYBX-UHFFFAOYSA-N 284.409 4.644 30 10 CJEE C=CCC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1 1125161818 SGWFYMTZFXXKER-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C#CCCCCCCN1C[C@H]2CCCC[C@]21c1ccccc1 1167706723 ZIOJARGAWOGUTA-RTWAWAEBSA-N 295.470 4.971 30 10 CJEE C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1181007088 CTGPMURPQJCWAH-AFYVEPGGSA-N 296.458 4.584 30 10 CJEE C=C1CCC(CN[C@@H](C)C[C@H](C)CC(C)C)CC1 1183728197 PXMKSRNXIGJBPT-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1C(C)=CCC[C@@H]1C 1206262891 FBUZOAZKFRFQNL-SXLOBPIMSA-N 283.459 4.756 30 10 CJEE C=CCn1ncc2ccc(N[C@H](CCC)[C@H]3CC3(C)C)cc21 1207696005 IAQMLLFEQLVODM-IAGOWNOFSA-N 297.446 4.849 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc2ccc(F)cc2s1 1307163337 DVWFZOHQSRAOAM-AAEUAGOBSA-N 290.407 4.982 30 10 CJEE C#CCN(C[C@@H](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 1307430518 DNRLKQOKOIUFIR-QFBILLFUSA-N 283.459 4.681 30 10 CJEE C=CC1(CC(=O)Oc2cc(C)ccc2C)CCCCC1 1350627731 JLQRIQKUMHTRHG-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 1357220054 PGCHGVBREPMFFI-MSOLQXFVSA-N 297.373 4.521 30 10 CJEE C=CCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1434923654 AWCMHJULAGHSED-UHFFFAOYSA-N 272.175 4.597 30 10 CJEE C=CCCC[C@H](C)NC(=O)CC(C)(C)C1CCCCC1 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N#C[C@@]1(C2CC3(CC(F)C3)C2)CCCCC12CCC2 2344735318 BDAXOPTZZLKVSZ-ACSWQBRGSA-N 261.384 4.769 30 10 CJEE CCCCCCC[C@@](C)(Oc1ccsc1C)C(=O)O 2352249951 QTNLSUBFRUWDMU-OAHLLOKOSA-N 284.421 4.639 30 10 CJEE C=C[C@@](N)(CC1CCC(CC(F)(F)F)CC1)C(C)C 2353200355 CHVARYRAGTVJFX-JXQTWKCFSA-N 277.374 4.675 30 10 CJEE C=C1CC(CC(=O)C2CCC(CC(F)(F)F)CC2)C1 2353646660 YHKIIKHOOSMUGI-UHFFFAOYSA-N 274.326 4.671 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc2c1CCCC2 2353835923 WFJWJLCCACMZMQ-CQSZACIVSA-N 278.461 4.536 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2354838023 UNSSTWBZMKLJAF-DGADGQDISA-N 284.390 4.843 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2357716906 NHQLQRCYULBNOA-RCCFBDPRSA-N 275.480 4.621 30 10 CJEE CO[C@H]1C[C@](C#N)(C[C@@H]2C[C@H]2C2CCCCC2)C1(C)C 2357829235 JNEGUHHEFCLMMG-OVWQWFNUSA-N 275.436 4.548 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2359653153 LWACOSOEDRZMRC-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)[C@@H](C)CC1CCC1 2360327399 NOKBQRXWANDRCV-RYQLBKOJSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CN[C@H](C)CC 2360366803 SXTHIMAFQYXOKQ-NEPJUHHUSA-N 299.430 4.910 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc2ccccc2c1 19231952 IJSSKFSUPPSISL-AWEZNQCLSA-N 272.351 4.885 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1ccccc1Cl 36913421 PVTYOSIFLAFGNC-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C=CCOc1ccccc1CNc1ccc(Cl)c(F)c1 37300795 MSUVFUKBCJSNLT-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE CC(C)CC[C@@](C)(C#N)Nc1ccc(Br)cc1 37936366 RYEHZNSSYBOWNY-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCCc2ccccc21 37938031 YUMRCPJVYGYYPF-LJQANCHMSA-N 276.383 4.552 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N\c3ccc(Cl)cc3)N2)C1 53099193 DQTNBKXGCNCXHM-IAQYHMDHSA-N 294.851 4.613 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(N)=O)ccc1Cl 59422976 VHKQBRJCVDBRIA-GFCCVEGCSA-N 296.842 4.600 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(CN(C)C)cc1 59474626 INXGXJNEPUFEPY-INIZCTEOSA-N 276.468 4.909 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 68616458 ZSBMSICUWLSEAU-CKEIUWERSA-N 270.420 4.724 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(Br)s1 70597970 BJCCXQNCULDCRW-JTQLQIEISA-N 288.254 4.518 30 10 CJEE SCC1(CSc2ccccc2Cl)CCCC1 87096446 UXNCAAZJPAEWKI-UHFFFAOYSA-N 272.866 4.922 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87996789 JVOOMYLOKSEYPR-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE CCCCN(CCCC)CC(CC)(CC)CS 94578910 BFTVCGJJNLRBRL-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccc(C)cc1 94580221 GDTQGUXKMQISDM-UHFFFAOYSA-N 279.493 4.948 30 10 CJEE CC(C)(C)[C@H](CS)COc1cccc(C(F)(F)F)c1 94584108 DJINQINNRVNIOO-NSHDSACASA-N 292.366 4.676 30 10 CJEE C=CCCC[C@@H](N)c1cc2cccc(Br)c2o1 97220213 GIFBLKGJHXBGAR-GFCCVEGCSA-N 294.192 4.551 30 10 CJEE CCCCCCCn1cc(C=O)c2cc(F)ccc21 106586756 XJVFRHQKALDNRL-UHFFFAOYSA-N 261.340 4.563 30 10 CJEE CCCCCCCOc1ccc(C[C@H](C)N)cc1Cl 109765285 VDUMSRIKVMCOHW-ZDUSSCGKSA-N 283.843 4.579 30 10 CJEE CCCCCCC[C@H](Cc1cc(F)cc(F)c1)NCC 110916137 IAAMSBXTGRINOK-QGZVFWFLSA-N 283.406 4.846 30 10 CJEE CCCCCCCCCCn1ccc(CNCCC)n1 112934541 CPRRVIRPLSRNOG-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1[C@@H](C)CC 114348878 HWVYWEFMIVROHS-IPMKNSEASA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC1(O)Cc2ccccc2C1 114871379 GLHXBTUGXLNRSX-UHFFFAOYSA-N 260.421 4.657 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)CCO2 115653207 YCZZKJZYGLLICM-QGZVFWFLSA-N 276.420 4.796 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnn(C)c1 115689090 DODGKPATHPXHSV-QGZVFWFLSA-N 279.472 4.602 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccccc1F 115858114 GRNFXTJPKAYLEV-OAHLLOKOSA-N 275.367 4.753 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCCc2ccccc21)NN 121992495 ISCLMGJZWLBKIE-ROUUACIJSA-N 288.479 4.689 30 10 CJEE CCCCCCC[C@H](NCCC)c1c(Cl)cnn1CC 126268485 ZALHSQRJRRTMKN-HNNXBMFYSA-N 299.890 4.958 30 10 CJEE CC(C)(CNc1cccc(Cl)c1C#N)c1cccs1 126272878 NVTNMUVZOGONOV-UHFFFAOYSA-N 290.819 4.663 30 10 CJEE CCCCCCCC[C@H](NN)C1(OCC)CCCCCC1 131094020 VUZLFMIUEVZFCV-KRWDZBQOSA-N 298.515 4.698 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc2sccc2s1 131577246 VIQOKGTUYMWYDY-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](OCC)C(C)(C)C 131963163 QGEUSLLFXDHXBQ-JKSUJKDBSA-N 271.489 4.776 30 10 CJEE C=C(CNCC1CCC(CC)CC1)c1ccccc1 134359581 URJZWAWCYCJJLA-UHFFFAOYSA-N 257.421 4.506 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(C#N)Nc1ccc(Cl)cc1 156057051 TVTYFYIBRROMQQ-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CCCCCCCCNc1nc2ccccc2cc1C#N 159331439 OODMQGSDFYBYTF-UHFFFAOYSA-N 281.403 4.879 30 10 CJEE C=CC[C@@H](C)N[C@H](c1ccccc1)c1ccccc1C 162608449 VCLJEUNJTFNBAE-VQIMIIECSA-N 265.400 4.639 30 10 CJEE CCCCCCCCCCNc1nc(C)ccc1[N+](=O)[O-] 162738474 UKNUDWYYWDKDKX-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OCCC)cc1 164410894 ZVTOVPYNEVUGJF-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE N#CC1(c2ccc(F)cc2C(F)(F)F)CCCCC1 168862727 XWWAAWMDVKZVOR-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 212300633 XTENQSSJFMXOJK-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE Cc1ccc(C#N)c(O[C@H]2C[C@H](C)CC[C@H]2C(C)C)c1 217934795 HQEQPUPSALUZTL-HFTRVMKXSA-N 271.404 4.706 30 10 CJEE CCCCCCC[C@H](CCC(C)(C)OC)NCC 231012830 FSYGMEMCGZZVMH-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCNc1ccc(O)c(Cl)c1 232391629 GLPAQKZRRYYWEQ-UHFFFAOYSA-N 255.789 4.818 30 10 CJEE O=C(C=C1CCCCC1)c1sccc1Br 232458501 OYPPBSJCIVVYOR-UHFFFAOYSA-N 285.206 4.584 30 10 CJEE CC(C)CCCOc1ccc(C#N)c2ccccc12 232543474 HNDAASMXMPGUES-UHFFFAOYSA-N 253.345 4.526 30 10 CJEE CCCCCCCCCC[C@H](NN)c1sc(C)nc1C 232916828 BFFCOIGNDYVDGR-HNNXBMFYSA-N 297.512 4.795 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CSc2ccccc2O1 232921537 ZMYDIHUTYQEBJU-INIZCTEOSA-N 292.444 4.859 30 10 CJEE CCCCCSc1cccc(SC)c1C#N 233097036 ZXVMGQDWFAOOOH-UHFFFAOYSA-N 251.420 4.562 30 10 CJEE C=CCC[C@@H](NCC)c1cc(Cl)sc1Cl 233588460 YZENTGASRAKWJU-SECBINFHSA-N 264.221 4.672 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)CC1 233922054 WTYORASXNRCULV-OCCSQVGLSA-N 276.811 4.982 30 10 CJEE COc1cc(CSc2ccc(Cl)cc2)ccc1C#N 234970934 GCBIOGYDVSJDLD-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCC(CS)(CCC)CN1[C@@H](C)CC[C@H]1CC 251222803 YXHPPITZKCFQPQ-LSDHHAIUSA-N 271.514 4.766 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C[C@H]1C 251646789 FKDGZYNQFDMLTL-GYSYKLTISA-N 296.336 4.814 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 252747912 CZBJEMWATZQWJQ-KSZLIROESA-N 263.469 4.621 30 10 CJEE CC(C)(C)[C@@H]1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 252875856 VWKCAGBHXAXSGY-VQHPVUNQSA-N 290.495 4.709 30 10 CJEE C[C@@H](CC#N)c1ccc2ccn(C3CCCC3)c2c1 260001098 KWPGXMJBMDGTHO-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CCCC[C@@H](C)Nc1ccc(C#N)c2ccccc12 300545445 PQWYWIUOYFCIRX-CYBMUJFWSA-N 252.361 4.702 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCC[C@H]1SC 300681689 WYMUSQZBZNSOCK-HRCADAONSA-N 271.514 4.999 30 10 CJEE CCCCCCCC[C@H](CCCC(C)(C)C)NN 300812840 FZTYGMLJAVLKGD-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccc(F)cc1Cl 310123423 VNPXWBUMXARZNV-MFKMUULPSA-N 253.748 4.768 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@]2(C#N)CCc3ccccc3C2)C1 312503088 KQTPAOWDRCJIKV-ATZDWAIDSA-N 267.416 4.902 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cccc(F)c2Cl)C1 316913451 VSSPLFJBVUMLBJ-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2Cc3ccccc32)C1 316918523 WOPIXRFUQFNQCQ-KYJSFNMBSA-N 256.389 4.502 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CCC3(CCCCC3)O2)C1 317225361 XLIDVCRHQAAAER-IKGGRYGDSA-N 278.436 4.654 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccccc2C(F)(F)F)C1 317630448 WHTMWCBKHWAHJE-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccnn1C(C)C 379898938 ATVMZWFQGUXXRA-MRXNPFEDSA-N 279.472 4.865 30 10 CJEE Cc1cccc(N[C@H]2CCCCC[C@H]2C#N)c1Cl 380616827 METPDSIHRYJINJ-STQMWFEESA-N 262.784 4.533 30 10 CJEE N#C[C@]1(C[C@@H]2CCCC2(F)F)CCc2ccccc2C1 382199996 RUEYFFMRTBCZFO-JKSUJKDBSA-N 275.342 4.511 30 10 CJEE CCCC(CS)(CCC)COC[C@@H](OC)[C@@H](C)CC 384808003 ZTBYCXOUGGSNRT-LSDHHAIUSA-N 290.513 4.581 30 10 CJEE CCCCCCCOc1ccc(C(F)F)cc1N 385357905 DOHZDTKNLBIRRK-UHFFFAOYSA-N 257.324 4.556 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)cc1F 387704272 XVGPXYYYZTVENO-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1oc2ccccc2c1C 393772070 HRYDETGDECAAJB-UONOGXRCSA-N 257.377 4.747 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)C2(C)CCCC2)CC1 394780058 LARNUHGEFKMHQJ-SWKXRBFHSA-N 277.452 4.674 30 10 CJEE Cc1ccc(C(=O)C2=CCCCC2)c2ccccc12 400213469 KOORQZHCSZLREA-UHFFFAOYSA-N 250.341 4.831 30 10 CJEE CCN[C@@H](C)c1ccc(SCC2(C#N)CCCC2)cc1 405174267 QEJLCZOJUZLLTK-AWEZNQCLSA-N 288.460 4.533 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)c1ccccc1 405687638 MCGORQNDOXBOJO-AEFFLSMTSA-N 276.468 4.763 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cscc1C 686682768 PONUKYPXOGLWMQ-INIZCTEOSA-N 263.450 4.681 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H](CC)CC(F)F 687933927 OEDJJRQVNMMYPF-CHWSQXEVSA-N 250.373 4.779 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccsc1Cl 688008598 XTZHNTGTOQERAI-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CCCCCCCCC[C@@H](NC)C(F)(F)C(F)(F)F 692634910 PYBNPOURIUQDAT-LLVKDONJSA-N 289.332 4.913 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](C)Oc1ccccc1 700691147 KVETUYSLMHHVHN-DOTOQJQBSA-N 263.425 4.532 30 10 CJEE CCCCCCCCC[C@]1(CNCCOC)CC1(C)C 702102985 RQULELKVNPNWNG-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(CC)s1 703748093 JSERQIWETCXGCF-ZDUSSCGKSA-N 253.455 4.932 30 10 CJEE CCC[C@H](CS)COc1cccc2sccc12 705011500 UNJXWKQBXPTIJQ-NSHDSACASA-N 266.431 4.626 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C[C@@H]1OC 709673264 TXKIPBRHSAGXKP-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE C=C(Cl)C[C@H](NCC)c1csc2ccccc12 710679619 QWTZEYVGDDNTRD-ZDUSSCGKSA-N 265.809 4.695 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 715706693 TTXBHFPOFHLPCZ-IUODEOHRSA-N 285.353 4.958 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Cl)c(C)c1 715707057 VKIULNGEFMIFTE-IAQYHMDHSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(Cl)c1C 715769713 OWIMGUBAQVQMAC-LRDDRELGSA-N 265.828 4.901 30 10 CJEE CCCCCCCCC[C@@]1(N)COC[C@H]1CC(C)C 716263259 XTQSPDPSQNVQEW-IAGOWNOFSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCNc1cccc(C(F)(F)F)c1N 717189873 JVVYTKNMMAADJI-UHFFFAOYSA-N 286.341 4.836 30 10 CJEE C=C1CCC(C[C@H](O)CSC2CCCCC2)CC1 724542367 LFIZEHDCMSNRGE-HNNXBMFYSA-N 268.466 4.550 30 10 CJEE C=C1CCC(Cn2cc(C=O)c3ccc(Cl)cc32)CC1 724576548 YMRBPJMNGCBWDL-UHFFFAOYSA-N 287.790 4.854 30 10 CJEE C=CCN(C(=O)[C@](C)(CC)CCCCCC)C1CC1 1127602867 UICNFBRTCGNDKA-QGZVFWFLSA-N 265.441 4.550 30 10 CJEE C=CCC1(C(=O)Oc2ccc3cccnc3c2)CCCCC1 1128660788 OOTGIXZPQVAIRK-UHFFFAOYSA-N 295.382 4.667 30 10 CJEE C=CC(C)(C)CC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1130737372 DJHQVPYVXWEZBM-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=C(C)c1cccc(NC(=O)c2conc2C2CCCC2)c1 1158609866 GKCHENDFLMOEFN-UHFFFAOYSA-N 296.370 4.618 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(C(F)F)nc2ccccc12 1185922543 MVIDEGQDVUKIKN-LLVKDONJSA-N 291.345 4.724 30 10 CJEE C=CCC[C@@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1205860276 NRAJTFXGHHROFQ-BZNIZROVSA-N 281.802 4.875 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 1229663215 PXXODLKJOZJHAQ-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(C2CC2)cc1F 1308799094 DYDKXIGOEMNIMN-INIZCTEOSA-N 261.384 4.538 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)CC[C@H]1C 1312802750 ODGGLEZIIQFUMJ-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)CC(C)(C)C 1354025113 BDUNCTWVLQGXQK-MRXNPFEDSA-N 287.447 4.664 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@@H](CCC=C)c1ccccc1 1435671490 UOMRQCDJYAYAJX-AEFFLSMTSA-N 285.431 4.597 30 10 CJEE C=C1CCC(C(=O)N2CCCC[C@@H]2CCC(C)C)CC1 1457900500 BDDPYWMTPKCYRK-QGZVFWFLSA-N 277.452 4.550 30 10 CJEE C=C(C)CCN(Cc1ccccc1)C1CCCCC1 1459353686 RPJVPYIDMKFICH-UHFFFAOYSA-N 257.421 4.788 30 10 CJEE C=CC(C)(C)CC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1459683157 SSGPJMGSIYGDHE-HNNXBMFYSA-N 285.431 4.765 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(F)c1C 1460625340 JJRIKCKSLNPXLE-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C#CCCCCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C 1473280439 YPZZDAFJHKUVQY-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=CCCCCCN1CC[C@@H](C)[C@@H]1c1ccccc1 1473783496 KNENBLNCNYTAGH-SJLPKXTDSA-N 257.421 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30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1Cl 110465266 MXLMDPHPZILOHM-TZMCWYRMSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1CNC(C)C 111762119 OZHWFFUVUHQBMM-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC(=O)Nc1ccccc1[C@@H](C)N 115854904 MXSDQJCKRPKWDT-OAHLLOKOSA-N 290.451 4.786 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](C)c1ccncc1 117685126 LYVGWEPNUPUTOD-SJLPKXTDSA-N 276.468 4.914 30 10 CJEE CCCCCCCCOCc1cccc(NCCC)n1 118573442 MBIXXFFKBMZGFU-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCCCCCC[C@](C)(O)c1cccc(C#N)c1 127763802 KOJARXDDQKAMTI-KRWDZBQOSA-N 259.393 4.516 30 10 CJEE C=CCN(CCC)c1ccccc1[C@@H](CC)NCCC 127793823 AWDRPYJGFQIBQD-QGZVFWFLSA-N 274.452 4.540 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2C)C1 128625812 VBJCJXAXGZYOQN-YOEHRIQHSA-N 259.368 4.787 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCCCS1 130175290 UBVVKYXDTSKEHF-JKSUJKDBSA-N 286.529 4.635 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC2CC2)cc1 132181378 FOQSTNSSBCJYBQ-KRWDZBQOSA-N 261.409 4.588 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@H](N)CCC2 135743329 YXCFDTPJANHDRX-QGZVFWFLSA-N 262.441 4.575 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1OCCc2ccccc21 139389424 CVWDCPWCYSDWSA-RTBURBONSA-N 289.463 4.768 30 10 CJEE CCCCCCCC[C@H](NC)c1snnc1C(C)C 140388165 BBOAXOQUNKNEBX-ZDUSSCGKSA-N 283.485 4.673 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccc(F)cn1 150223755 LNBPOSAITZQUHG-INIZCTEOSA-N 266.404 4.535 30 10 CJEE CCCCCCC[C@H](N)C1(OC)CCC(C)(C)CC1 158481357 FYSPLYAILBBNMF-HNNXBMFYSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@H](O)c1cc(F)cc(Cl)c1 159154523 JMPLGCTUUVJQOF-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE CCCCCCCCNCc1ccc(C#N)cc1Cl 162787353 LOEOZJNRNMTPMT-UHFFFAOYSA-N 278.827 4.662 30 10 CJEE C=C(C)CCOCc1ccc(Br)cc1Cl 164283251 YEAOFLXLYSAJNA-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE CCCCCCCC(=O)C1C2CC3CC(C2)CC1C3 164716850 MTUJSZDRWPDFCK-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccc(C(C)(C)C)cc1 165164843 MLDKVRVUVVOPRG-UHFFFAOYSA-N 278.399 4.776 30 10 CJEE CCCCCCCOc1c(F)cccc1CNCC(C)C 169170801 SHOORSMPWGZPPC-UHFFFAOYSA-N 295.442 4.921 30 10 CJEE C=C(C)C/C(=C\C(C)(C)OC[C@@H]1CO1)[Si](C)(CC)CC 195820450 APKMOUKSGRCMDB-KFXIKWRMSA-N 296.527 4.731 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H](C)c1ccccc1Cl 203438421 BPXDAJFFDFPWFX-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC[C@@H]1CCC 213021041 KXQWSQPRNYAVDG-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1C#N 214505598 BBTNQJPIAYENGY-LSDHHAIUSA-N 276.811 4.838 30 10 CJEE CC(C)CCCCCCN[C@@H](CC#N)c1ccccc1 232540169 QAQHIJRKUGXHCD-SFHVURJKSA-N 272.436 4.837 30 10 CJEE CCC(=CC(=O)Cc1ccc(C(C)(C)C)cc1)CC 232869064 OVXPIEKYEVSZHB-UHFFFAOYSA-N 258.405 4.842 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2CCCc3ccccc32)CC1 235378040 MTGWBMAHFBRPLG-YOEHRIQHSA-N 268.400 4.812 30 10 CJEE Cc1ccc(Cn2ccc3ccc(C#N)cc32)c(Cl)c1 235980397 YSWZFAFDKRMHGX-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE O=C(C1=CCCCC1)c1cc2cc(Cl)ccc2o1 236055471 PBPVBEGYMRYAPU-UHFFFAOYSA-N 260.720 4.769 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C[C@H](C)O 253100620 WNXSGOLNBPRZGP-ROUUACIJSA-N 283.500 4.753 30 10 CJEE Cc1ccc(N=Cc2c(C)[nH]c3ccccc23)cc1C 254307425 BZMUYLBFVKPLEH-UHFFFAOYSA-N 262.356 4.844 30 10 CJEE CCN(CC)c1ccc(C=Nc2ccc(C)cc2)cc1 254590484 WDELWPGCUMDAOS-UHFFFAOYSA-N 266.388 4.592 30 10 CJEE Cc1ccc(C2(C#N)CCC2)cc1OCc1ccccc1 260403531 HTWPQPSRSXKYIS-UHFFFAOYSA-N 277.367 4.519 30 10 CJEE Cc1ccc2c(c1)CC[C@@H](CC#N)C21CCCCC1 260437118 DDZMCKKZUNSUKH-INIZCTEOSA-N 253.389 4.673 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](CNC2CC2)C1(C)C 302399296 JUQLMBOXQWMJNI-DOTOQJQBSA-N 251.458 4.761 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 311869562 LLNKUUFJIMSNJV-CYBMUJFWSA-N 277.795 4.589 30 10 CJEE C=CCCCCN[C@H](c1ccccc1)c1ccc(F)cc1 314075094 VKLFMUDKRYDDBA-LJQANCHMSA-N 283.390 4.861 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2Cc3ccccc32)CC1 317274398 RXUWRMZGZUITGL-RMXPPQQLSA-N 270.416 4.892 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 380439674 BTKVGOYEHNNBDA-IINYFYTJSA-N 285.284 4.816 30 10 CJEE CCCCCCC[C@H](C)NCc1csc(C)c1 381231695 SOGJHKFEBJYNKQ-ZDUSSCGKSA-N 253.455 4.895 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCCOCc2ccccc2)C1 382011633 USFCRHHZMXSLAO-AEFFLSMTSA-N 271.404 4.703 30 10 CJEE CC(C)=CC(=O)c1cccc(Cl)c1C(F)(F)F 382339529 JPQSMJQKSZNACF-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE C=CCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 384171677 WSXVLHJBLNTUPF-MGPQQGTHSA-N 251.439 4.650 30 10 CJEE C=CC[C@H](CNCCC)CC1CCC(C)(C)CC1 386637583 HZYYNTMPARCLGK-INIZCTEOSA-N 251.458 4.785 30 10 CJEE N#CC1(c2nccc3sccc23)CCCCCCC1 387967015 UPYJYXGXTNQWKJ-UHFFFAOYSA-N 270.401 4.802 30 10 CJEE C=CC[C@H](CC)Nc1ccc(C(F)(F)F)cc1F 393746402 MQAKMTLNSTUDHO-JTQLQIEISA-N 261.262 4.611 30 10 CJEE N#CC1([C@@H](O)c2sccc2Cl)CCCCCCC1 394076888 DSAUPNJIEYBNKD-ZDUSSCGKSA-N 283.824 4.689 30 10 CJEE CC[C@@H]1CC[C@@H](CNC2CC2)[C@H](CC#CC(C)(C)C)C1 394460562 QVCNQYXCJFCUBB-ZACQAIPSSA-N 275.480 4.621 30 10 CJEE N#C[C@@H](CC1CCCCCC1)NC1CCCCCC1 394545125 WYEJDGWWQAXFNQ-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE N#CCc1sc2cc(C(F)F)ccc2c1Cl 396191713 PTFJNHIMMCAECB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(C(F)(F)F)cc(Cl)n1 398308764 OJNUBIBCLBOBPZ-SECBINFHSA-N 292.732 4.911 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CCC)[C@H]1CCc2ccccc21 464533944 JLSWREJIQYRHSS-QAPCUYQASA-N 285.431 4.515 30 10 CJEE Cc1cc(Cl)ccc1C(=O)/C=C\c1ccccc1 575357928 JLRUEAZETSWLIJ-YFHOEESVSA-N 256.732 4.545 30 10 CJEE C=CCCCCCN[C@H](c1ccc(F)cc1)c1ccccn1 583000393 RWEULGUQPNADPU-LJQANCHMSA-N 298.405 4.646 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 686693627 FKSPSNOFXUVZBC-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2c(c1)CN(C)C2 689444054 PRRNXVLSWKPSDA-HNNXBMFYSA-N 274.452 4.793 30 10 CJEE CCCCCCCCNc1cc(OC)c(N)cc1Cl 690593334 YECDMILGQGABBD-UHFFFAOYSA-N 284.831 4.703 30 10 CJEE CCc1ccc(Nc2c(C)cccc2C#N)cc1Cl 691230165 UTFIQALUYMJLHM-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc(C)c(F)c(C)c1 694896427 WTLSFATUOARPDJ-MRXNPFEDSA-N 263.400 4.840 30 10 CJEE C=CCC[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 695062791 ZWYWWFKHAWEIKW-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE C=C[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695095299 OTLDBQRGKKJRME-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE CCCCCCCCC[C@@H](O)CC[C@H](CCN)C(C)C 696223951 VTTURYVDTQXSKD-QZTJIDSGSA-N 285.516 4.889 30 10 CJEE CC1(C)CC(CNc2cccc(C#N)c2)CC(C)(C)C1 699563998 AVHDGQSMYLSMTK-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE CCCCCCCCCCCCNCCC1CC(O)C1 702487447 KUSZAVYJHORJDJ-UHFFFAOYSA-N 283.500 4.658 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H]2CCCC(C)(C)CC2)N1 704797604 NWBXKSQMDUHRSU-XJKSGUPXSA-N 282.497 4.597 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 708028825 LSMXZIDZKPJHGN-HQRZJTNHSA-N 279.305 4.749 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C 710615090 FMZHCCHLELOOII-XBFCOCLRSA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(C(C)(C)C)cc1 710644400 YGXLPOOVGXXCSY-OAHLLOKOSA-N 265.828 4.777 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnn(C(C)(C)C)c1 714273815 RVALPEUXKLVGHE-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE C=CC[C@H](C)c1c(Cl)cccc1Br 715794296 AOBNRNLVMOCLNK-QMMMGPOBSA-N 259.574 4.782 30 10 CJEE CCCCCCCCCNCC[C@@H]1CC[C@H]2C[C@@H]12 717136941 NGZUIUNTMMPULZ-ULQDDVLXSA-N 251.458 4.763 30 10 CJEE C=CCCC(C)(C)Nc1c([N+](=O)[O-])ccc(Cl)c1F 717667539 OMQUOZZPQBNKLH-UHFFFAOYSA-N 286.734 4.544 30 10 CJEE CCCCCCCCC(=O)C[C@H](N)C1CCCCC1 718732710 VDSSFOAUMNIIIO-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 720882895 HFGPAKIDDSOYMS-FQBRJNOBSA-N 275.436 4.690 30 10 CJEE C=C1CCC(CN[C@H](c2ccccc2)C(F)(F)F)CC1 724446024 AFEXFUPAGAEDNW-OAHLLOKOSA-N 283.337 4.626 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(SC)cc2)CC1 724545158 OYWCMZWZDSBIIR-QGZVFWFLSA-N 275.461 4.806 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(C)c(F)cc2F)CC1 724601850 GNTFMDHIWNSLSM-QGZVFWFLSA-N 279.374 4.670 30 10 CJEE CCCCCCCCCC(=O)NCC1CCC(C#N)CC1 799386485 YBCPQNLAGGDSAQ-UHFFFAOYSA-N 292.467 4.573 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 1134728108 DDJUEGFJELGJCC-CQSZACIVSA-N 298.213 4.564 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)C1CCCCC1 1141483587 FHIYCYNGTFDESM-UHFFFAOYSA-N 265.441 4.550 30 10 CJEE C=C(CC)CSc1ccccc1Br 1165332846 QEHFSFJESHENQK-UHFFFAOYSA-N 257.196 4.507 30 10 CJEE C#C[C@@H](N[C@@H](C)CC1CCCC1)c1ccc(Cl)cc1F 1205755426 IGFIVMJLYBZLHS-YVEFUNNKSA-N 293.813 4.712 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cscc1Cl 1208823361 NSPHGICPBOSMHW-JQWIXIFHSA-N 298.839 4.658 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1 1288363692 AKFAJAVQXYEKMQ-ZWKOTPCHSA-N 283.415 4.557 30 10 CJEE C=CCC1(CNc2ccc(C(F)(F)F)cn2)CCCC1 1307117071 QIXIQVDTBYCEFM-UHFFFAOYSA-N 284.325 4.649 30 10 CJEE C=C(C)c1cccc(NC(=O)CC2=CCCCC2)c1 1439930717 KUNOILFZFQCWEP-UHFFFAOYSA-N 255.361 4.549 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 1462169149 WGGXOSYTLNTQON-YOEHRIQHSA-N 295.854 4.752 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 1462277852 MXXRMUAZQHMASJ-ZDUSSCGKSA-N 299.380 4.828 30 10 CJEE C=CCC1(C(=O)N(C)C2CCC(C)(C)CC2)CCCC1 1517435645 CIXDIROKXJMNAZ-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 1519989759 QEPKJUXZOHVZPN-SJLPKXTDSA-N 287.447 4.677 30 10 CJEE C=CC(C)(C)C(=O)O[C@@H](C)c1ccc2cc(OC)ccc2c1 1523486040 KBPXIPWUSXMNAD-ZDUSSCGKSA-N 298.382 4.665 30 10 CJEE C=C[C@@H](OC(=O)/C=C/C1CCCCC1)c1ccccc1 1528632130 OLRJGWVVBJFYEP-TUQDCPSNSA-N 270.372 4.593 30 10 CJEE C=CCC1(C(=O)Oc2cccc(C(F)(F)F)c2)CCCC1 1531885446 QMPIRHVAPPEETA-UHFFFAOYSA-N 298.304 4.747 30 10 CJEE C=C[C@H](CC(=O)Oc1ccccc1CCC)c1ccccc1 1534252548 GXYSYFSTCXARKN-MRXNPFEDSA-N 294.394 4.904 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(COC(C)(C)C)c1 1536901045 JTUOEZYQPQVSMC-CQSZACIVSA-N 289.419 4.543 30 10 CJEE C=C[C@H](C(=O)N[C@@H](C)CCC1CCCCC1)c1ccccc1 1543439876 AHQSWPUSAYVQNG-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C#CCCCCCCN1CCC[C@H](c2ccccc2)CC1 1559520245 CBMLHZBGCBEBBB-FQEVSTJZSA-N 283.459 4.840 30 10 CJEE C=C[C@H]1CCCCN1Cc1cccc(CC2CCC2)c1 1560794664 AQDTZPARUPWEQX-IBGZPJMESA-N 269.432 4.570 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CC)c1 1563363686 ZJXQHJCLUPCNRQ-YOEHRIQHSA-N 286.419 4.810 30 10 CJEE C=CCC(C)(C)CNC(=O)N(CCC(C)C)C1CCCC1 1564824495 JDIDTNNOZICMNZ-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H]1CCC[C@@H]1c1ccc(C)cc1 1585612315 QEJKCLOYNIMRHV-MOPGFXCFSA-N 298.426 4.943 30 10 CJEE C=C[C@H](OC(=O)c1cc2cc(C)ccc2o1)c1ccccc1 1587279514 SUSUYDROSCVCEM-INIZCTEOSA-N 292.334 4.825 30 10 CJEE CCc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614731471 ZPDXHDOXWRUMHP-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE C=C/C=C/CCSc1nc(C)cc(C(F)(F)F)c1C#N 1652569683 POKBPCNNKKCWSN-SNAWJCMRSA-N 298.333 4.505 30 10 CJEE C#CCCCCCCN1CCCSc2cc(C)ccc21 1652586274 ZGFSMWIHOSRGRX-UHFFFAOYSA-N 287.472 4.881 30 10 CJEE C=C(CC)CN[C@H](c1ccc(Cl)cc1F)C(C)C 1653248016 UOECIFMZQAZDST-HNNXBMFYSA-N 269.791 4.732 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1ccc(C(F)(F)F)cc1 1654303812 FTZQEFZOVNYARN-VBNZEHGJSA-N 295.348 4.949 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H]1CCCCCC)C(C)(C)C 1658233272 KLVDNRKPTGGMPT-BBWFWOEESA-N 263.469 4.763 30 10 CJEE C#CC[C@@H](CCOC)NC1CCCCCCCCCCC1 1659772103 RAKKJPFEFRGDRI-SFHVURJKSA-N 293.495 4.678 30 10 CJEE C=C(C)c1cccc(NCc2c[nH]nc2-c2ccc(C)o2)c1 1663414984 XJBJTSVDDOGWCI-UHFFFAOYSA-N 293.370 4.623 30 10 CJEE C=CCC1(NC[C@H](C)c2cc(F)cc(F)c2)CCCCC1 1664728369 DRQYQTFAWDJEFE-AWEZNQCLSA-N 293.401 4.937 30 10 CJEE C=C(C)CSc1nc(-c2cc(F)ccc2F)cs1 1860816586 BCSYQBMHEIVAQG-UHFFFAOYSA-N 283.368 4.757 30 10 CJEE C#CCCCCCN(C)C[C@H]1CC[C@H](CCC)CC1 1878118272 CTGSOQOQKDXMIU-IYARVYRRSA-N 263.469 4.718 30 10 CJEE SCC1(COC2CC3(CCCCC3)C2)CCCCC1 1878982590 WVLJXROTZYYYAH-UHFFFAOYSA-N 282.493 4.996 30 10 CJEE C=CCCN(CCC[C@@H]1CC1(C)C)Cc1ccccc1 1882663351 BBDGCXJIXRWTFS-GOSISDBHSA-N 271.448 4.891 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1883312162 CAUODABFWQFOEM-QDMKHBRRSA-N 273.411 4.570 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1ccc2ccccc2c1 1884472372 PLDYNFHNYVWUFG-OAHLLOKOSA-N 253.389 4.626 30 10 CJEE CC#CCCCC[C@H](C[C@@]12CCC[C@@H]1C2)NCCC 1885227062 GLHFVTLGWKDSBG-KURKYZTESA-N 261.453 4.519 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cscc1C(F)F 1887451933 IJGNMXHGZUFPRV-RISCZKNCSA-N 285.403 4.776 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)C1CCCCC1 1888690100 WBUQFTDWRJIWBF-SFHVURJKSA-N 257.421 4.648 30 10 CJEE CC(C)C1(C[C@]2(C#N)CCCC(C)(C)CC2)COC1 1898496086 HBVKXNSRTFGIPW-INIZCTEOSA-N 263.425 4.549 30 10 CJEE CC1CCC(CSC[C@H](CS)C2CC2)CC1 1899440198 QJXAGNAVNWFXIJ-YIZWMMSDSA-N 258.496 4.502 30 10 CJEE CCN(c1ccc(Cl)cc1C#N)[C@@H]1CCCC1(C)C 1910879160 QCOBHUVFPUEOPU-OAHLLOKOSA-N 276.811 4.617 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)CC1=CB1OC(C)(C)C(C)(C)O1 1911601479 LWEWUNGPSOOOOB-ZFWWWQNUSA-N 278.245 4.636 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1C[C@H]2CC[C@H]1C2 1919504597 LCULQJZXXVGRFQ-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@]1(O)CCCc2ccc(OC)cc21 1919633836 ONGFLPQLQZRCKN-SFHVURJKSA-N 276.420 4.580 30 10 CJEE CCCCCCC[C@H](NC)[C@@](O)(c1cccs1)C(C)C 1920800859 RHPAZVYBNFWMTL-DOTOQJQBSA-N 297.508 4.540 30 10 CJEE Cc1ccc(N(Cc2ccccc2)CC2CCC2)c(C#N)c1 1932003143 GCCMQEHQPDZZDP-UHFFFAOYSA-N 290.410 4.673 30 10 CJEE C=C(Cl)CC(=O)c1cc2sc(C)cc2s1 1934995234 LBNLZXUVPGQJBO-UHFFFAOYSA-N 256.779 4.597 30 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4.512 30 10 CJEE CCC(CC)(CS)CSC[C@H]1CC12CCC2 2242824513 YAJAJDLLVIUIBU-GFCCVEGCSA-N 258.496 4.646 30 10 CJEE C=CCCCS[C@@H](c1sccc1C)[C@H](N)CC 2250030016 RGAKRCDYHWMRLS-TZMCWYRMSA-N 269.479 4.534 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C=O)CCC(F)(F)C2)C1 2253994559 FPNMMDZQNMBYSF-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C#CCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2258585469 IJUFVNMEWVMGJQ-OAHLLOKOSA-N 284.230 4.756 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@](C)(F)C(C)(C)F 2259238186 HDJHQFNAIHHVIT-ZFWWWQNUSA-N 261.400 4.577 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@H](CC)CCC 2259438246 OUZROEDIAOWULQ-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE C=C[C@H]1CCCN(CC[C@H](C)CCCC(C)C)C1 2259679484 UNUYUARHTAYSOX-SJORKVTESA-N 251.458 4.737 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@H]2CC3)CCCC(F)(F)C1 2260644814 DFYAFMYDOSWPPT-IHRRRGAJSA-N 253.336 4.676 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)COCC 2263718414 QTNDAPPVWBYYRV-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CC[C@@H]1CCC[C@](O)(CC=CC#CC(C)(C)C)CC1 2268786971 SPWIJBPXEVVEAD-SJLPKXTDSA-N 262.437 4.704 30 10 CJEE CC(C)[C@]1(CC=CC#CC(C)(C)C)CCCCCN1 2268828122 CVGZNBVEQYSBKH-SFHVURJKSA-N 261.453 4.541 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CCCCC[C@@H]2C[C@H]2C)C1 2269487115 XAFGMQLLODQMGI-QBPKDAKJSA-N 263.425 4.692 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCCC2CC(F)C2)C1 2270147975 OKARDCPIFKBESU-CMTNHCDUSA-N 283.456 4.966 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc([C@H]2C[C@@H]2C)o1 2271748546 VNGYERCUWIPRMV-KKUMJFAQSA-N 261.409 4.800 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CC[C@]2(C1)CC2(F)F 2271791552 MMZFNBPGZSNYNQ-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE N#CC1(CCCc2ccncc2)CCCCCCC1 2272099819 IPIAJFQTXJAXQK-UHFFFAOYSA-N 256.393 4.659 30 10 CJEE CC[C@H]1CNC(=NCC[C@@H](C)CCCC(C)C)SC1 2272261198 PMJRUNWHXKRPJI-GJZGRUSLSA-N 284.513 4.558 30 10 CJEE C[C@H](NCC#CC1CCCC1)c1ccc(Cl)cc1Cl 2274114157 WSYRJSVBKPHMIB-LBPRGKRZSA-N 296.241 4.838 30 10 CJEE C[C@](N)(CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274181278 OAVUMXCKUWFKFW-INIZCTEOSA-N 296.241 4.751 30 10 CJEE CCCCCCCCCC[C@@](C)(CSC)OCCN 2277355166 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CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccsc1C 2304023424 BDYGNDQHWRHQBE-GJZGRUSLSA-N 251.439 4.700 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCC2)CCCC(F)(F)C1 2311479989 PEPWADPAJCAQKI-MELADBBJSA-N 253.336 4.532 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCC(C)(C)[C@H]1NCC 2313641710 LUKNNMDAELQSIY-KKUMJFAQSA-N 269.498 4.631 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC1(F)F)NCC 2313724062 YXZBYQQMBWSSIK-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1ccc(Cl)c(Cl)c1 2316730315 QEIFRVLPDKLBKR-HNNXBMFYSA-N 284.230 4.936 30 10 CJEE C=CCC(CC=C)C(CC)(CC)CNC(C)(C)C 2316734935 XBKQZMKOHIWUHK-UHFFFAOYSA-N 251.458 4.949 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C)c(Cl)c(C)c1 2321109553 ZKDIQWNLIJJBHD-HNNXBMFYSA-N 265.828 4.820 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C2CC2)s1 2321132013 VTWZOEVZKADQSZ-WBMJQRKESA-N 263.450 4.878 30 10 CJEE Cc1ccc(NN=Cc2ccc(OC(C)(C)C)cc2)cc1 2322930346 JSFPVGPBUMQOTN-UHFFFAOYSA-N 282.387 4.618 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@@H](F)C1 2327222976 CPYGGSBZPMCZNU-OWCLPIDISA-N 257.437 4.853 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2CCCCC[C@H]2C[C@H]1N 2335095789 GBAOGRINTYDIOI-LLLHUVSDSA-N 279.493 4.537 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1nc(Cl)nc2sccc12 2337089671 CASYBDNWTJTTTI-GXSJLCMTSA-N 293.823 4.501 30 10 CJEE CCCN[C@@H](C#CC1CCC1)C1CCCCCCC1 2337423127 WINZYBMIPWHFOF-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@]12CCCC[C@@H]1C2 2338735226 JPOZQDLOKCAIFV-KZNAEPCWSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)N1CCCC[C@@H]1C1CCCCC1 2338736633 WOLHKLHUMCVSLP-GOSISDBHSA-N 261.453 4.942 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1CC(=C2CCC2)C1 2338747267 OTOSZZNERIESAC-GOSISDBHSA-N 259.437 4.623 30 10 CJEE C=CC1(C[C@@H](CCC2=CCCCC2)NCC)CCC1 2340213577 FWVPMKQXIHTHHD-QGZVFWFLSA-N 261.453 4.992 30 10 CJEE C=C(CC)CC(=O)[C@@H](c1ccccc1)C1CCCC1 2342370113 IQAUXTNLVILYOI-SFHVURJKSA-N 256.389 4.886 30 10 CJEE O=C(Cc1cccc(C2CCC2)c1)C1=CCCCC1 2343724522 DDXHLLXKTWUQML-UHFFFAOYSA-N 254.373 4.566 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CC12CCCCC2)NCCC 2344385080 NYGMBUPWSCRBDE-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC1(C(F)(F)F)CC1)NC 2344761118 VVIQFXRGRSDYHB-STQMWFEESA-N 277.374 4.690 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344787062 BOLMQNNXXZRXOK-CYBMUJFWSA-N 276.342 4.895 30 10 CJEE CC[C@@](C)(CCC=C(C)C)OC[C@@]1(CS)CC1(F)F 2351884900 BBNRPYHIGGYXOZ-UONOGXRCSA-N 292.435 4.873 30 10 CJEE CC(C)(C)[C@@](C)(CS)Cn1ccnc1C1CCCC1 2352118217 ZMTBIGOLZOQZSW-MRXNPFEDSA-N 280.481 4.523 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C#N)c(SC)c1 2353825987 SXBCXLFKFZCUNW-WFASDCNBSA-N 275.417 4.628 30 10 CJEE CCCCCCCO[C@@H]1[C@@H](NCCC)C[C@@H]2CCC[C@@H]21 2354732070 RQIMJLXWEOPMIK-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=CC[C@@H](C)SCc1ccc([N+](=O)[O-])c(NCCC)c1 2360200165 GAEAAZJFLZBJNW-GFCCVEGCSA-N 294.420 4.615 30 10 CJEE Cc1ccn2c([C@@H](C)C#N)c(-c3ccc(C)c(C)c3)nc2c1 31915867 KGWFUOCFJOIAMA-HNNXBMFYSA-N 289.382 4.554 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(CC#N)cc2)cc1C 37071183 CPMAGTUOXYHOTF-INIZCTEOSA-N 278.399 4.851 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2cc(C)ccc2C)cc1 57695100 JDVDXUZNBIJMMY-KRWDZBQOSA-N 279.383 4.688 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCCOc2ccccc2F)c1 57695233 NGLWATIHVNUVIE-MRXNPFEDSA-N 297.373 4.909 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1ccccc1C 57741661 RDYZIOUXXAKUAZ-GOSISDBHSA-N 293.410 4.977 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C(=O)O)cc1 59095459 KHLXHGWJDHIOHN-ZDUSSCGKSA-N 263.381 4.546 30 10 CJEE CCCCCCCC(=O)Nc1cccc([C@@H](C)NCC)c1 59295581 XANPJXCDGOTRNQ-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1cc(Cl)ccc1C#N 80141183 NGMQLBPUANSEFQ-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE CC(C)(C#N)CCNc1c(Cl)cc(Cl)cc1Cl 87591189 DGUOUMRRRUZQTC-UHFFFAOYSA-N 291.609 4.999 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(Cl)c2)C1 87972879 XALLPJMJBCPKMQ-BBRMVZONSA-N 261.796 4.993 30 10 CJEE Cc1ccc(C)c(OC[C@H](CS)c2ccccc2)c1C 94584284 NBCZZKFGNLGUJY-QGZVFWFLSA-N 286.440 4.704 30 10 CJEE C=C(CC)COc1ccc(Cl)cc1CNC(C)(C)C 97191465 XCJNSTJWWHMSFM-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CSc2ccccc21 97220172 GAHGWRQPPKWEFV-HOTGVXAUSA-N 275.461 4.600 30 10 CJEE CCCC#CCCc1cc(C)cc(C)c1OCCC 107665166 MUYFVTLXSGSXTJ-UHFFFAOYSA-N 258.405 4.828 30 10 CJEE CCCCCCCCOCCNc1cccc(C)c1 110239549 LMHVWYOQSLXLAA-UHFFFAOYSA-N 263.425 4.784 30 10 CJEE CCCCCCCC[C@@]1(CN)CCCc2ccccc21 113025609 PCFRDVSDCVEIPS-IBGZPJMESA-N 273.464 4.970 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@@H]1CCC 114058576 QZCPFYYQVXWTAD-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCOc2ccccc21 115844589 VMFQPACJDZCOHT-SJLPKXTDSA-N 289.463 4.891 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(F)ccc1OC 115855978 LCPNVMQSUQLKID-INIZCTEOSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H](CC)CC#N 115857515 FLHVVDAONWOMBA-MRXNPFEDSA-N 280.456 4.716 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](NCC)C1(CC)CC 117341644 ZFWKHTSFPDJZQJ-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](NN)c1ccccc1C(F)(F)F 122314260 HUXLGTMUTVHBLR-CQSZACIVSA-N 288.357 4.570 30 10 CJEE Cc1cccc([C@@H](C)Nc2cc(C#N)ccc2Cl)c1 125733946 DAOWXNAWSZXEKZ-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#Cc1cccc(Oc2ccc(Cl)c3ccccc23)c1N 125749281 ILJVQRBONKCEPI-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(C)cc1)NN 125947974 HGJNVYHPXHRAGT-SFHVURJKSA-N 276.468 4.510 30 10 CJEE CCCCCCCCCC[C@@H](O)CCc1cccnc1 135560749 ATNGOTVCYYPASB-GOSISDBHSA-N 277.452 4.906 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 156177792 VMKQQNOWMZYUDV-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(Cl)s1 156863497 QDOQFHVJKHEUSC-LLVKDONJSA-N 257.830 4.799 30 10 CJEE C=CCC[C@H](NCCC)c1cc2sccc2s1 167773082 CNDGUFKFZNDZTA-NSHDSACASA-N 265.447 4.970 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)CCO[C@@H]1C1CC1 168357579 SGTZNFIIGXGSME-MOPGFXCFSA-N 293.495 4.674 30 10 CJEE CCCCCCCCCCCOCCNC1CCC1 168773600 QKOKEZOIEKBMRI-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCN(CC)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 213002115 IMFXEWHQJLUOLA-KRWDZBQOSA-N 272.436 4.671 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)cc1/C(C)=N\O 215966516 NNIUUQSTYFSJKF-XBNPZXQFSA-N 275.392 4.541 30 10 CJEE C=CCCC[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 227671831 KCRKMFZFWZLSQU-NNCLKIPCSA-N 261.453 4.667 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccncc2)C1 227796799 AYTLEMXVAVANDZ-GUTXKFCHSA-N 274.433 4.528 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1OCC[C@@H]1C 228815589 PWVUDASRZHLSLA-OKZBNKHCSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CNCCC 229112512 DNEUSTOOGMKISQ-GOSISDBHSA-N 284.532 4.885 30 10 CJEE C#CCCCCN[C@@H](CCC)c1ccc(Cl)cc1 229640842 BQWQTGNVJUZQNX-INIZCTEOSA-N 263.812 4.574 30 10 CJEE C=CCCCCC[C@@H]1CCCC[C@@H]1CNC(C)C 232665270 KUUXKXHHZYRCOT-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCN(CC)C[C@@H]1CCCCN1 232929042 HTHOSBLZDSUTIK-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cn(C)cn1 232945010 OOIVMULMXNWFFN-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@H]1CNCC(C)C 232962500 CZBOAQXUIGSUCK-ROUUACIJSA-N 283.500 4.778 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncccc1CC 233164567 AUNFFNUALPDACG-QGZVFWFLSA-N 274.452 4.821 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc(C)c1Br 233549012 BPOBHEQWAMMKSG-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(Cl)sc1Cl 233588021 JITNFPCETUPQMF-SECBINFHSA-N 264.221 4.672 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 234039674 RYCPWVBNVIWXOB-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1F)c1ccc(Cl)s1 235563145 HRCMQWSZFNXRKD-ZETCQYMHSA-N 298.745 4.724 30 10 CJEE Cc1ccc(Nc2c(C)cccc2Cl)c(C#N)c1 235900807 DWMRARPPJBGJBO-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=C(Cl)Cn1ccc2c(Cl)cc(Cl)cc21 236022608 JIKJYJMYAXXQPN-UHFFFAOYSA-N 260.551 4.701 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1[C@H](C)NCC 250824211 MPIDEOZZSGGCLD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCC[C@@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251137364 KQULQHNVXBUZNQ-HGTKMLMNSA-N 270.482 4.564 30 10 CJEE Cc1cc(C=Nc2ccccc2O)c(C)n1-c1ccccc1 254406221 FYSIGNLHKSAUJK-UHFFFAOYSA-N 290.366 4.550 30 10 CJEE CC(C)c1ccc(C(C)C)c(C2(C#N)CCC2)c1O 260906305 XHETXRIDGDIPPA-UHFFFAOYSA-N 257.377 4.584 30 10 CJEE CC1(C)OB(/C=C2/CCCCC23CCCC3)OC1(C)C 307470653 ORKKYTGBGUKVKB-YPKPFQOOSA-N 276.229 4.679 30 10 CJEE CCCCCCCCCC[C@](O)(CC)[C@@H]1CCOC1 312006166 ZFLCHXLOPSJAAA-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCCCCCC(=O)CN1CCCCCC1 328258288 KUGLGTIKPXWFLF-UHFFFAOYSA-N 281.484 4.962 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)s1 381150501 AGRIJJQCQCQJAL-CYBMUJFWSA-N 269.454 4.897 30 10 CJEE Clc1ccccc1C#Cc1cc(Br)cs1 383513689 GKGBBOJIUNZYFE-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE C=CCC(C)(C)CNCc1csc2ccccc12 386582924 AODPYMOYINYVNA-UHFFFAOYSA-N 259.418 4.593 30 10 CJEE Cc1cccc(N[C@H](C#N)C2(C)CCCCCC2)c1 394668688 KSJUJMZNOLASHI-MRXNPFEDSA-N 256.393 4.660 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCCCC1(F)F 400495864 FEQSIEYNHHOTDH-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1ccccc1Cl 401774284 YGTVQTWGYFQEST-DVOMOZLQSA-N 276.811 4.860 30 10 CJEE CCc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1C 512292877 CCOFIAQIZDLTAG-ZDUSSCGKSA-N 282.362 4.741 30 10 CJEE N#Cc1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1 514259087 PYQBGYCEASQSIT-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE N#Cc1csc(CNC2(c3ccccc3)CCCCC2)c1 531117911 YRXKINSGHOHKHE-UHFFFAOYSA-N 296.439 4.569 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)C1CCC(F)(F)CC1 594041806 JGUHQHWZOBXAOP-CYBMUJFWSA-N 286.410 4.510 30 10 CJEE CC(C)(C#N)CCCCN1CCC[C@H]1C1CCCCC1 688811253 ZJYSDSFNRUNIMG-KRWDZBQOSA-N 276.468 4.751 30 10 CJEE CCCCCCCCC[C@H](N)CC1C[C@@H]2C[C@H]2C1 698108218 SJPNZCFLZPLIPQ-ZACQAIPSSA-N 251.458 4.891 30 10 CJEE C=C([C@H](NCCC)[C@]1(C)CC[C@@H](C)C1(C)C)C(F)(F)F 699105635 HKZYJMYSNRKGDS-ZLDLUXBVSA-N 291.401 4.936 30 10 CJEE SCC1(COc2cccc3sccc23)CCCC1 705008983 GCRXRRADRHFTAI-UHFFFAOYSA-N 278.442 4.770 30 10 CJEE C=CCCC(C)(C)CNc1nnc(Cl)c2ccccc12 709457494 RKIDMZUXUWRPQE-UHFFFAOYSA-N 289.810 4.688 30 10 CJEE C=C(Cl)C[C@@H](Cc1ccc2ccccc2c1)NCCC 710638637 OHHYGZQSNHBBSE-SFHVURJKSA-N 287.834 4.893 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@H]1CNCC(C)C 710640143 FMQIJXGSYRYWTG-GJZGRUSLSA-N 271.876 4.817 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CC(C)(C)CC[C@@H]2C)C1 713116371 DMGIWGBYSHGJML-MVJTYMMSSA-N 277.452 4.674 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)c(F)cc1F 715811390 CFDSOIIOXGSMHF-MEDUHNTESA-N 267.363 4.526 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(F)ccc(F)c1F 716400388 DCNQQAFSXAGVJP-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(C)c(C)c2)CC1 724443171 LSXZJZKBKSGWIM-INIZCTEOSA-N 257.421 4.700 30 10 CJEE C=C1CCC(CNc2cc(C)c(F)cc2Cl)CC1 724542221 KJMLJBZYXUNJFF-UHFFFAOYSA-N 267.775 4.946 30 10 CJEE C=C1CCC(CNc2ccc(C)c(OCC)c2)CC1 724549611 HPOGEHPDCPDOLZ-UHFFFAOYSA-N 259.393 4.552 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 724552149 IHAOJWXURWKXAU-HNNXBMFYSA-N 268.759 4.649 30 10 CJEE C=C1CCC(CNc2cc(OC)c(Cl)cc2OC)CC1 724566815 QAHUMGVUSWNNEY-UHFFFAOYSA-N 295.810 4.516 30 10 CJEE C=C1CCC(CC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 724620106 VNSWZCOBCODLFJ-UHFFFAOYSA-N 298.213 4.895 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1nccnc1C)c1ccccc1 883327417 YIEIFFIDBSAXLT-SJLPKXTDSA-N 295.430 4.533 30 10 CJEE C#CCCCCCC(=O)O[C@H](CC)c1ccc(F)cc1F 1127687679 OOJSSSCTGXWXDH-MRXNPFEDSA-N 294.341 4.543 30 10 CJEE C=CC[C@@H](C(=O)NC[C@@H]1CCC=CCCC1)c1ccccc1 1134766926 RBDGLKPVTJUTQE-IEBWSBKVSA-N 297.442 4.599 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cc(CC)ccc1CC 1201199661 ZUEWWVDWFCEEGF-UHFFFAOYSA-N 288.435 4.678 30 10 CJEE CCCCCCCCCN(C)C[C@]1(C)CCCCO1 1204736487 NADSSRHHVOWXQJ-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc2cnccc2c1 1210048239 HPKUSJBZIWQVCJ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCC1(NC(=O)NC2CCCCCCC2)CCCCC1 1211095713 ASZBOEGPCOWEIE-UHFFFAOYSA-N 292.467 4.678 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C[C@@H](C)CCC=C(C)C 1266594340 GHPCYCUFPFWUND-JKSUJKDBSA-N 265.441 4.620 30 10 CJEE C=CCC1(CNC(=O)c2cccc(C3CCC3)c2)CCCC1 1272416785 HNQRWUUWLYSCNF-UHFFFAOYSA-N 297.442 4.820 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 1295583068 ROWXEFBMJMCHQO-AWEZNQCLSA-N 298.430 4.766 30 10 CJEE C=CCC1(C(=O)Oc2ccc(CC)cc2)CCCCC1 1348923739 LUMSMBKINAPVFO-UHFFFAOYSA-N 272.388 4.681 30 10 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4.658 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC1CC1)C1CCC1 1466315879 YFOUFIVNAFJOAC-UHFFFAOYSA-N 298.430 4.602 30 10 CJEE C=CCC[C@@H](NC(=O)N[C@@H](CC)CCC)c1ccccc1 1468434544 MCIWMXOMIJWKDX-DLBZAZTESA-N 288.435 4.572 30 10 CJEE COc1ccc([C@@H](C)SCCc2ccc(C#N)cc2)cc1 1472982065 FOIYSASFVJRCAJ-CQSZACIVSA-N 297.423 4.604 30 10 CJEE C=CCN(CCCc1cccc(F)c1)CC1CCCCC1 1473164760 ZQMMLDBDMPYHFX-UHFFFAOYSA-N 289.438 4.827 30 10 CJEE C=CCCN(CCC(C)(C)C1CC1)OCc1ccccc1 1473398988 IGMAMIOFHCVHBZ-UHFFFAOYSA-N 287.447 4.823 30 10 CJEE C=CCCCCCCNCCc1cc(C)cc(C)c1 1474512896 ZMOWHBAEDLLRRV-UHFFFAOYSA-N 259.437 4.572 30 10 CJEE C=CCC(CC=C)C(=O)N1c2ccccc2CC[C@H]1C(C)C 1519704287 DHBYSDFRGSISLN-SFHVURJKSA-N 297.442 4.759 30 10 CJEE C=C[C@@H](CC(=O)NCC(CC)(CC)CC)c1ccccc1 1525708931 BRWDRMQAUICCPF-INIZCTEOSA-N 287.447 4.679 30 10 CJEE C=C(C)[C@@H](NC(=O)CC(C)(C)CC)c1ccc(F)c(F)c1 1529492055 LSECQCQFLDMKEW-MRXNPFEDSA-N 295.373 4.525 30 10 CJEE C=C[C@H](CC(=O)NCC1(C)CCC(C)CC1)c1ccccc1 1531566318 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MHEVYQFMAASLKV-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H](C)CC(C)C 2142440902 JNUKWEXGTBYQDA-DLBZAZTESA-N 268.489 4.807 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ncccc1C 2142442513 WXCALRXOGXKRKY-MRXNPFEDSA-N 260.425 4.697 30 10 CJEE C=CCCCCCCCCNc1cnn(CCC)c1 2142453049 NMLHRLVATANIPF-UHFFFAOYSA-N 263.429 4.622 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@@H](CC)CCC 2142454115 XXEWEJDYABWAGN-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)c1cccc(Cl)c1 2147543641 LKPJECVIGXGDPA-DLBZAZTESA-N 297.870 4.841 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CCCC(C)C)NC 2147623434 FDJCLAGGTWJYPG-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCC(C)(C)C1CC1)NC 2148527676 SXXCSWGSBJHOMR-IAGOWNOFSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@](C)(O)C(C)(C)C 2148592960 WOVCBCFHGCSYKO-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@](C)(O)C1CC1 2148594393 GBSIXKDDNAOQIC-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)C1(CC)CC1 2148611765 HWNFZGDRFHRXMN-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H]1CC(C)C 2148948499 JDMBHJPZOZAICB-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](O)[C@]12CCCC[C@@H]1OCC2 2149055895 IVIQDLURRBEQBD-OKZBNKHCSA-N 282.468 4.837 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H]1CCC[C@H]1C 2149835927 OVFKYCMCVODNCP-ZACQAIPSSA-N 282.468 4.883 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)C1CCCCCC1 2149870692 OBHOXWLXAVOHEH-LJQANCHMSA-N 275.480 4.909 30 10 CJEE Cc1ccc(C)c(N=C2N[C@@]3(CCCC3(C)C)CS2)c1 2150546534 GKKVTFIRCKEEJN-KRWDZBQOSA-N 288.460 4.576 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(CC)cnn1CC 2150801727 KIJQGCUAONGFPQ-MRXNPFEDSA-N 280.456 4.640 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(C(C)C)cnn1C 2150888685 HHFJYRAGPMZLMG-MRXNPFEDSA-N 279.472 4.684 30 10 CJEE CC(C)[C@H]1CCC[C@@H]1N=C1NC2(CCCCC2)CCS1 2152924172 FVPXNUSOKWLANR-CABCVRRESA-N 294.508 4.597 30 10 CJEE C=C(Cl)C[C@@](N)(c1ccccc1)c1ccc(C)cc1C 2154692797 VYRSDVIQVWDWHC-GOSISDBHSA-N 285.818 4.648 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1CCCC(F)(F)CC1)C(F)(F)F 2155808331 XVXQKEDBQWJFRB-VXGBXAGGSA-N 299.327 4.689 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@]12CCOC2 2156735946 XLXQULUODGHQBB-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)[C@@H](O)CCCCCCCCC 2158322293 BGLQYWYECJUZMR-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE C[C@@H](NCC#CC1CCCCC1)C1CCC(C)(C)CC1 2158442497 RMZDGOHEPPIUFG-MRXNPFEDSA-N 275.480 4.765 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)CCS1 2159721467 ZXKREYBWNJRHMD-FZMZJTMJSA-N 299.361 4.673 30 10 CJEE CCCCCCC[C@@]1(CNC(C)C)CCOC(C)(C)C1 2161600348 NJJSBSYMBONZCS-GOSISDBHSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnn(CC)c1C 2164222813 MVMNGNXZDBQZLJ-KRWDZBQOSA-N 279.472 4.613 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CC3(CCCCC3)CO2)C1 2166219595 XCXAITKJMFQQGJ-JFIYKMOQSA-N 275.436 4.836 30 10 CJEE N#CC1(CO[C@H]2CCCc3ccccc32)CCCCC1 2166296441 QXYGOVGZKYHYRO-KRWDZBQOSA-N 269.388 4.555 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1[C@H]2CCCCC[C@H]21 2167240383 VHEYXGPJMVLOHS-FCGDIQPGSA-N 275.480 4.765 30 10 CJEE C=C(CNCC[C@@H](C(F)F)C(C)(C)C)c1ccccc1 2167706578 ITGGTKGTWUTJRA-HNNXBMFYSA-N 281.390 4.607 30 10 CJEE N#C[C@]1(Cc2ccc3ccccc3c2)C[C@H]2CC[C@H]1C2 2168322255 DXTJDTBMOPZCED-SNRMKQJTSA-N 261.368 4.712 30 10 CJEE CC[C@H](C)c1nsc(C[C@@]2(C#N)CCCC(C)(C)C2)n1 2168543723 ZAORHWQOJJMKJD-LRDDRELGSA-N 291.464 4.704 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H](O)CC2CCCCC2)C1 2168554525 HYZCGYUUPCXKHQ-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@H]1CCC2(CC2)C1 2169069262 NRGCPODNYXOWCZ-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2csc(C(C)(C)C)n2)C1 2169854041 PYJDSBCLIRKNCM-DYVFJYSZSA-N 293.476 4.769 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)c(OC)cc1C 2173114601 JUDWVXNNJXWKSG-KRWDZBQOSA-N 275.436 4.709 30 10 CJEE Cc1cccc(CC[C@]2(C#N)CCCCC23CCC3)n1 2173623399 UFINVXPYQOXGFK-SFHVURJKSA-N 268.404 4.577 30 10 CJEE N#C[C@]1(CCc2c(F)cccc2F)CCCCC12CC2 2173625195 HXXZNVDGRDHSGQ-QGZVFWFLSA-N 275.342 4.762 30 10 CJEE CC1(C)CCC[C@@H](C[C@@]2(C=O)CCCCC23CCC3)O1 2173674657 ZBXJVKXURZBOEL-MAUKXSAKSA-N 278.436 4.654 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(O)C=CC[C@H](CC)C1 2175435933 PNAKGGKEYFBDDT-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE CCCCCCCCCC1(O)CC2(CCC(N)CC2)C1 2176708562 ILNYPJASUXEYQV-UHFFFAOYSA-N 281.484 4.540 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@](C)(O)C(C)(F)F 2178855572 VIETVGMGSYAPST-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE C=CCCCCN1CCC[C@H]1c1nc2ccccc2s1 2179673415 VZTNRLVRSZXZIZ-HNNXBMFYSA-N 286.444 4.790 30 10 CJEE C=CCCCC[C@H](NC)c1cc(F)ccc1C(F)(F)F 2179683277 SCPRKNKQLFPHNG-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Cl)ccc2N)CC1 2181661294 DBVVBSGFHCGRGA-LBPRGKRZSA-N 291.822 4.878 30 10 CJEE CC1(C)CC=C(C(=O)C2(O)CCCCCCCC2)CC1 2181675040 FFHTUWICRZUBNO-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2C(F)(F)C23CCCC3)C1 2182160996 UNXBAPVCPOLBIA-CABCVRRESA-N 283.406 4.536 30 10 CJEE CCCN[C@@]1(C#N)C[C@H](SCC(C)(C)C)CC(C)(C)C1 2183527121 ULLHZKWCNKKEJT-PBHICJAKSA-N 296.524 4.606 30 10 CJEE Cc1cc(F)c(F)cc1Oc1cc(Cl)c(F)cc1C#N 2184423662 UGWAIMGGBVONJA-UHFFFAOYSA-N 297.663 4.730 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC1C[C@H]2CCC[C@H](C1)C2 2184454959 XXXSXRODNMMDOM-QWRGUYRKSA-N 292.785 4.731 30 10 CJEE CC(C)CNC[C@@H]1CC[C@H](C)C[C@H]1CC#C[Si](C)(C)C 2187467491 DKNIWSCMIUSIMU-KSZLIROESA-N 293.571 4.555 30 10 CJEE C=CC1(CN[C@@H](CC)C2CCC(F)(F)CC2)CCCC1 2189512511 SZAZSAULUFTPAB-HNNXBMFYSA-N 285.422 4.927 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=NCC2(C(C)(C)C)CCC2)N1 2192002479 OWRCTZJCHAKTRO-ZDUSSCGKSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCOCC[C@H]1C 2195670501 MXJGWDGXMHPOGR-QZTJIDSGSA-N 283.500 4.874 30 10 CJEE C=CCN(Cc1ccc(C(F)(F)F)cc1)C1CCCC1 2195775634 IPMRERDBVWARRS-UHFFFAOYSA-N 283.337 4.636 30 10 CJEE CCCCCCCCN(C)c1ccc([C@@H](C)N)cc1F 2196730275 UJCHKHBAHCJSSQ-CQSZACIVSA-N 280.431 4.642 30 10 CJEE C#CC[C@@H](C[C@]1(CNC(C)(C)C)CC=CCC1)C1CC1 2196837007 NTONEKMXXBZGPT-HKUYNNGSSA-N 273.464 4.541 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@@H](CC)c1ccccc1 2196849477 POAAZEXGPFIKNA-YTQUADARSA-N 271.448 4.598 30 10 CJEE C#CC[C@H](C[C@]1(CNCC)CCC[C@@H](CC)C1)C1CC1 2196853368 HKMPNBHRCKDHEI-QRQLOZEOSA-N 275.480 4.622 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)C1CCC(C)(C)CC1)C1CC1 2196859798 VYXDHVIMBRBQLY-ZWKOTPCHSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 2197140724 XFXDRUXHQABJJX-KANFNMMFSA-N 269.432 4.504 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@@H]1C[C@H]1C1CCCCC1 2200498214 OYQBQJXTQZJGRQ-IRXDYDNUSA-N 276.468 4.607 30 10 CJEE CC[C@@H](C)[C@H]1CSC(=Nc2cccc(C3CCC3)c2)N1 2201217158 IULPREVGWATEGA-MLGOLLRUSA-N 288.460 4.693 30 10 CJEE Cc1cc(C)c(C)c(C(=O)CC#CC2CCCCC2)c1 2203108559 ADQVJHSQKHGLFQ-UHFFFAOYSA-N 268.400 4.768 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@H]1CCCC12CCC2 2203784844 HRLPKZALFKZLPQ-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc(C)c(C)cc1C 2203806192 BGEHMZQUFANDDO-IBGZPJMESA-N 271.448 4.846 30 10 CJEE CCCCC#CC[C@H](NCC)c1ccc([C@@H]2C[C@H]2C)o1 2203808141 SWOCWVYNHGZUIU-OAGGEKHMSA-N 273.420 4.637 30 10 CJEE CCCCCCCCC(=O)c1c(OC)ccc(F)c1F 2204397902 ZOTHKMCOOODQRG-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE CC(C)(C)NCCC#Cc1ccc(-c2ccccc2)s1 2206126407 MKKNJPCKKRXOPH-UHFFFAOYSA-N 283.440 4.545 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ccc(C)c(OC)c1 2206892117 ONDAQODWVIMYGH-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE C=CCCCCCC[C@@H](N)C1(O)CCC(CCC)CC1 2206895333 SZBVMGNKMWNQFM-LXPRWKDFSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC(=O)c1ccc2cnccc2c1 2206899697 ZRBZPQZTODEYMK-UHFFFAOYSA-N 267.372 4.944 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1CCc2ccccc21 2206902069 GZYBQICTIJETDM-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C=CCCCCCCCCN(C)Cc1ccc(C)cn1 2207381915 MNLZPPMQYUQKNI-UHFFFAOYSA-N 274.452 4.739 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)c1csc(C)c1 2207382419 RNGVPPLPXXHXOD-QGZVFWFLSA-N 294.460 4.966 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C1(C)CCOCC1 2207390003 GLKREDSOUJAWIF-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCOC[C@]1(C)CNC[C@H]1C 2207393925 YCEKKAZUSJQGRH-MSOLQXFVSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CCC=CO1 2207410476 QWDSAIRISMYZFA-MSOLQXFVSA-N 279.468 4.964 30 10 CJEE C=CCCCCCCCCC(=O)c1cn(CC)nc1C 2207425422 QMAWACBHCXOEIS-UHFFFAOYSA-N 276.424 4.701 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cnn(CCC)c1 2207426398 AUYAVIXOAFWXKT-QGZVFWFLSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(N)CC[C@@H](C)C1 2207438741 SJWIFNYLYHCFRS-AEFFLSMTSA-N 279.468 4.770 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC=C(C)C)NCCC 2207456969 MNGQJDWOCAFWGI-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCCC(C)(F)F)NC 2207467979 HFRPLHXVRGLOFK-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CC(C)(C)C 2214766800 CIIGAOIQERLBPZ-KRWDZBQOSA-N 259.459 4.606 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1scc(C)c1Cl 2218435502 OPDNPZVQJUAHPF-LBPRGKRZSA-N 283.868 4.800 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2220275733 XPSBMCFVWSWBGB-ZDUSSCGKSA-N 286.246 4.870 30 10 CJEE CCCCCCCCOCc1cccc(Cl)c1N 2221255127 FAOJBBXOOMNDPN-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE CC(C)[C@@H](CC#N)SC12CC3CC(CC(C3)C1)C2 2222267981 PYXCLTXSHRGGNM-IBHBGHMQSA-N 263.450 4.627 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCC[C@H](C(C)(C)C)C1 2222269244 RZIZYXHPJQOITR-HRCADAONSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCCOCc1nnsc1Cl 2223243353 UKYHYBSNKWGNIX-UHFFFAOYSA-N 290.860 4.849 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225361390 HUIUUNDKTBLNOA-UYTYNIKBSA-N 262.437 4.988 30 10 CJEE C=CC[C@H]1CCCCN1CC1C[C@H]2CCC[C@H](C1)C2 2225381119 XTKCQWYNESYJLX-BQFCYCMXSA-N 261.453 4.633 30 10 CJEE C=CCCCCCCCCOC[C@H](NC)[C@@H](C)CC 2225675588 HVFUVAFSJBMAPX-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1CCCC2(CCCCC2)C1 2226326363 TXJJYHRBKQFJHZ-SJORKVTESA-N 261.453 4.517 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 2227291911 WACMVNPHMAWSPX-ZKXLYKBJSA-N 263.469 4.783 30 10 CJEE CCCC[C@](C)(C#N)[C@@]1(O)CCC[C@H](C(C)(C)C)C1 2229819533 HJLAHTAOIWACLE-USXIJHARSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCOc1cc(F)cc(F)c1N 2230985912 ZYJDHZBBGIUXMP-UHFFFAOYSA-N 271.351 4.676 30 10 CJEE CCCCCCCC[C@](C)(O)C1C[C@@H]2[C@@H](C1)C2(F)F 2231898035 BWLUOSZIKWUGOB-KFWWJZLASA-N 274.395 4.779 30 10 CJEE CCCCC#CC[C@H](NCC)C1C[C@H]2CCC[C@H](C1)C2 2233649165 KDGRFBRWVGSCLA-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE CC(C)(C)c1ccc(C#N)c(SCCCCC2CC2)n1 2235465211 QFDBFOUXJXMYCE-UHFFFAOYSA-N 288.460 4.923 30 10 CJEE C=CCCCCCCCC1(O)CC2(C[C@@H]2C(F)(F)F)C1 2235517849 AZLBWWGMWKVDIA-NFOMZHRRSA-N 290.369 4.997 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)c1scc(C)c1C 2235520879 DNMKVOBRDWLPOB-HZPDHXFCSA-N 295.492 4.642 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@]1(C)CCCC1(F)F 2235526878 PFLNCMHVAWZVDP-CABCVRRESA-N 288.426 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CCCC2(CC2)C1 2235533531 BGHRWNAAKHDROX-DLBZAZTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc(OC)c1C 2235542931 XQRUKGJMTWLETJ-KRWDZBQOSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCCC(=O)c1cccc(COC)c1 2235543010 YJVZSHOPWCOVKO-UHFFFAOYSA-N 274.404 4.932 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1CCC[C@H](C(C)(C)C)C1 2238160010 XGEGSOAIBZQEJN-HOTGVXAUSA-N 278.484 4.901 30 10 CJEE N#Cc1cc(F)cc(SC23CC4CC(CC(C4)C2)C3)c1 2238173081 FPDULVTXMPEJCQ-UHFFFAOYSA-N 287.403 4.758 30 10 CJEE N#Cc1cc(F)c(NC[C@@H](F)C2CCCCC2)cc1Cl 2238301736 TXUXHEVZLJSXIK-CQSZACIVSA-N 298.764 4.681 30 10 CJEE CCSc1cccc(NC[C@H](F)C2CCCC2)c1C#N 2238303347 GZRGGPUXBDSIRT-AWEZNQCLSA-N 292.423 4.610 30 10 CJEE C[C@H](CC(C)(C)C#N)OCC1(C)CC2(CC(F)(F)C2)C1 2238801841 DLTCXNZFMHELNQ-GFCCVEGCSA-N 285.378 4.547 30 10 CJEE CC#CCCCCN(C)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2238851802 KJRLGLSGQSZTRU-QRVBRYPASA-N 275.480 4.718 30 10 CJEE CC1(C[C@@]2(C=O)CCC(F)(F)C2)CC2(CC(F)(F)C2)C1 2239175038 QGXFETKNSKJLHA-LBPRGKRZSA-N 292.316 4.597 30 10 CJEE CCCN[C@H](C#N)[C@@H](C)SCCCCCCCC1CC1 2239357588 GRCYSFAPNCXZTR-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)C1CC2(CCCCC2)C1 2239461600 GZDZGHRSSUXLHK-UHFFFAOYSA-N 286.802 4.621 30 10 CJEE CCCCCCCCCCOc1ccc(Cl)c(CO)n1 2239496858 CCEYNRCZYMORJM-UHFFFAOYSA-N 299.842 4.747 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)C[C@@H](C)C(C)(C)C 2239569856 UWRKMCGFAAFDPN-PBHICJAKSA-N 291.866 4.742 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@H]1Cc2ccccc2S1 2240172501 IJQCJNDBRBCEHC-ZVZYQTTQSA-N 289.488 4.674 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCCCCCC1 2240562128 GZRFSUPCSFISTB-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)[C@@H](C)CCC(C)C 2240638304 SGYKBSAXNSWFLY-KSZLIROESA-N 285.516 4.888 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@H]1C[C@H]2CC[C@H]1O2 2240658151 PBSVBWTYHDUZGD-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE CO[C@H](CSCC[C@@H](C)CCS)CC(C)(C)C 2250057316 HULRKLYPTZGLHH-STQMWFEESA-N 278.527 4.517 30 10 CJEE C=CCCCSc1sc(CNCCC)cc1C 2250065664 QACXDXSEELFMKY-UHFFFAOYSA-N 269.479 4.614 30 10 CJEE Clc1cc(Cl)cc(NCC#CC2CCCC2)c1 2251487044 NQPWPAAPCGRJAH-UHFFFAOYSA-N 268.187 4.599 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CC[C@H](CC)C1 2259172905 SMCLXBNRZRIJBB-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CN 2259192995 MOSOGRQKVPUXQA-GVDBMIGSSA-N 251.458 4.914 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H](CC)CCC 2259438250 OUZROEDIAOWULQ-IRXDYDNUSA-N 251.458 4.765 30 10 CJEE C=C[C@H](C)CCN[C@@H]1CCCCCCCC1(F)F 2260229118 LRCTWZBUWASGDG-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cc(C)ns1 2263673467 WYKSFZWMUWZMMS-OAHLLOKOSA-N 268.470 4.766 30 10 CJEE Cc1c(F)ccc(Nc2ccc(Cl)cc2C#N)c1F 2264426341 XVRUZIWXPDCVQC-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@H](C)CC 2268758395 WIQLUEKMBOHOCD-IAGOWNOFSA-N 263.469 4.787 30 10 CJEE CCC[C@@]1(CC=CC#CC(C)(C)C)CCCCCN1 2268764059 XSHVEFDLBZCBSY-GOSISDBHSA-N 261.453 4.685 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(Cl)c(F)c1 2268827654 WTYJESZYLUUDEC-HNNXBMFYSA-N 280.770 4.508 30 10 CJEE CCC[C@H](CC(C)C)[C@H](O)CC=CC#CC(C)(C)C 2268829445 GPACECQTBBFCOP-IAGOWNOFSA-N 264.453 4.806 30 10 CJEE C=CCCCCCCCSC[C@H]1CC[C@@H](C(=O)O)C1 2271491464 NUNZJYPYKTWGHT-LSDHHAIUSA-N 284.465 4.747 30 10 CJEE C=CCCS[C@H]1CC2(CCCC2)CC[C@H]1NCCC 2271585235 LMVDMNXWNJTQQE-CVEARBPZSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CC[C@]2(C1)CC2(F)F 2271791553 MMZFNBPGZSNYNQ-KKUMJFAQSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCCN(C[C@@H](C)N)C(C)(C)C 2272465231 GPVWHGZSHUSXBB-MRXNPFEDSA-N 270.505 4.575 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cccc(C3CCCC3)c2)C1 2273529634 GKXFLJUZOPONQJ-ZDUSSCGKSA-N 254.373 4.727 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cnc(C(C)(F)F)s1 2273613332 SJHMBZHIWNJGFZ-PWSUYJOCSA-N 288.407 4.508 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C=CCCC1 2276607004 ZYAFEGGHQYOQLZ-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=CC[C@@H](C)Nc1ccc(Cc2ccccc2)cc1 2277464430 ZBJGIIGBDVYCSY-OAHLLOKOSA-N 251.373 4.654 30 10 CJEE CCCCCCCCCCNCc1ccsc1C#N 2277483355 ZSOQNOSRDDLIEZ-UHFFFAOYSA-N 278.465 4.850 30 10 CJEE Cc1ccccc1[C@H](C)Nc1cc(C)c(C#N)c(C)c1 2280563772 OUMUPDFCIRERTK-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE Cc1cc(N[C@H](C)[C@@H]2CCC[C@H](C)C2)cc(C)c1C#N 2280570515 OFMPNOWHFWXZOD-APHBMKBZSA-N 270.420 4.802 30 10 CJEE SC[C@H](COCC[C@@H]1CCCC12CC2)c1ccccc1 2281389942 XRKWBSLZDUKJFU-IRXDYDNUSA-N 290.472 4.687 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cccc(Cl)c2OC)C1 2283163301 XBQZRGNSKKMTAS-INIZCTEOSA-N 293.838 4.746 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC[C@H](C)C1 2284089099 NPNCWBUFUWILGL-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1 2284109194 KFRKBKHMXQEWEX-IAGOWNOFSA-N 272.432 4.768 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@]1(C)CC1(C)C 2288608560 VVODALJLGMAOJI-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CN([C@@H]1CCCC[C@H]1C#N)[C@@H]1CC(C)(C)CCC1(C)C 2290306378 GINSVVLYIOZXRI-ARFHVFGLSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C1CCCCCC1 2290891012 VWVLNFLWAAYIMD-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC(C)(C)C1(C)C 2291798746 QHFZOLRTNZWDPV-KRWDZBQOSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C1C[C@H]2C[C@@H]2C1 2293196080 VHGCEVBAMMPPKM-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CC[C@H](C)C1 2293307331 VGERSGGXXAXAIJ-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)C1CCC(F)CC1 2293376377 XQCJGQOKBFEUSZ-JCYILVPMSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@H](C[C@H]1[C@H]2CCCC[C@H]21)OCCN 2293564099 OZJSMHXGHGGMCA-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE C=C(CC)C[C@]1(OCCCN)C[C@H](C)CC[C@@H]1C(C)C 2294164989 FSBBXVOYNLAMQZ-KURKYZTESA-N 281.484 4.539 30 10 CJEE CN(CCCCCCCS)C[C@@H]1C[C@H]1c1ccccc1 2294772842 IXSSAQYIXAKNSZ-ROUUACIJSA-N 291.504 4.602 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)[C@@H](C)C(C)(C)C 2295213495 CQVHDJFRIHYXRY-RHSMWYFYSA-N 291.866 4.742 30 10 CJEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccccc1 2295968029 VKCJUEBYKVLRDZ-UHFFFAOYSA-N 286.758 4.553 30 10 CJEE C=CC[C@H](C)S[C@H](c1sccc1C)[C@@H](N)CC 2298817757 VNZDEFXOXXNOKZ-OBJOEFQTSA-N 269.479 4.533 30 10 CJEE CN(CCCCCCCS)c1ccccc1Cl 2301364066 CMMWTOHYTWASKD-UHFFFAOYSA-N 271.857 4.657 30 10 CJEE CCCCCCCCN[C@H](C)C1(Cl)CCCC1 2302184741 CPAKJXJICUJTRB-CQSZACIVSA-N 259.865 4.877 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(F)c(Cl)c(Cl)c1 2307306296 CHMOKZBKSQMCIA-SDBXPKJASA-N 276.182 4.605 30 10 CJEE C=CCCCCCCC[C@@H](O)C[C@@]12CCC[C@@H]1C2 2312409967 JSNRYAQAPLKOHI-ZACQAIPSSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(C)s1 2313531371 ISRLNJKFFZHBIO-OCCSQVGLSA-N 283.506 4.795 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(C#N)cc1F 2313690375 XAKMOIQZRDOXHY-UHFFFAOYSA-N 281.783 4.964 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@](C)(CC)C(F)F 2315009186 SMRBWTNABCKFGF-DZGCQCFKSA-N 261.400 4.782 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1scc(C)c1C 2316742488 BIVSPXAHJVHEQB-HNNXBMFYSA-N 263.450 4.784 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)C[C@@H]1CC[C@H]1C(C)(C)C 2320316290 XPEVYZSBZFMJOO-LJIGWXMPSA-N 250.426 4.844 30 10 CJEE C=C(C)COc1cccc(C=CC(=O)c2ccc(C)cc2)c1 2323153738 BXRZNRXKBSOFMU-UHFFFAOYSA-N 292.378 4.846 30 10 CJEE C=C1CC(C[C@](C)(O)c2ccc(Cl)c(C)c2Cl)C1 2327993641 PKNZCEHLCCJJMB-HNNXBMFYSA-N 285.214 4.866 30 10 CJEE CCC[C@@H](CC)COC[C@@H](CS)c1ccccc1 2328190981 QVMKZMJVHJQDIO-ZBFHGGJFSA-N 266.450 4.543 30 10 CJEE CSc1cc(Nc2cccc(Cl)c2)ccc1C#N 2328540576 RXVFTJKOYPENAY-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2329179521 SGMYXUMJHGADHG-YJNKXOJESA-N 273.411 4.616 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2c2ccccc2)CCCC12CC2 2332825971 SQAFCDJKMSOSLY-BQFCYCMXSA-N 251.373 4.654 30 10 CJEE Cc1ccc(F)c(C(=O)C=Cc2ccccc2)c1Cl 2335580639 HGKXMMBTZVUGIP-UHFFFAOYSA-N 274.722 4.684 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)(C)C)CCC[C@@H]1C 2338737220 BKAZWKPYSHTEQK-YJBOKZPZSA-N 263.469 4.949 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2339081007 FNAUKTZJUYJBLF-MWDXBVQZSA-N 260.421 4.908 30 10 CJEE C=CCC(CC=C)Sc1ccc(CO)c(C2CC2)c1 2339167085 TZGIEIUSPQKLJV-UHFFFAOYSA-N 274.429 4.669 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2343071697 AAUWCJLHPFZNRY-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2343422275 FEFITHXZCVGVCN-FOGDFJRCSA-N 296.197 4.606 30 10 CJEE CC(C)c1cccc(CN(C)CC[C@H](C)CCS)c1 2343775879 KYJXCOCELZNDEP-HNNXBMFYSA-N 279.493 4.588 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H](C)CC(F)(F)F)NCC 2344336284 HYRINEWKDTUQSJ-IHRRRGAJSA-N 279.390 4.936 30 10 CJEE CC(C)O[C@@H]1CCC[C@H]1C1(C=O)CCCCCCC1 2344785551 MYTMZLIPVVOVBB-HZPDHXFCSA-N 266.425 4.510 30 10 CJEE Cc1cc(C#CCCCCCCCO)c(C)cc1Cl 2352985293 BGUONTUPFFFSOD-UHFFFAOYSA-N 278.823 4.641 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H](OC)C[C@H]12 2357065904 NPDNVFGEIBRJOD-XSLAGTTESA-N 281.484 4.530 30 10 CJEE CCCCC#CC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC 2358138203 KERZYTBGQDHXSU-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2358322665 UAMNFDMIQLBUPM-HRCADAONSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@]12C[C@H]1[C@H](C)C2 2358323496 OCOLXDBRPJFYRY-XMTFNYHQSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(CNC2CCC2)s1 2360215010 PLZRSDVVGLYJPW-UHFFFAOYSA-N 291.460 4.598 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360220665 ZMYKTRWCWKUTEF-INIZCTEOSA-N 293.838 4.501 30 10 CJEE C/C(=N\O)c1ccccc1OCc1ccc(C(C)C)cc1 20475727 YUMIFXNAEGKKKQ-XMHGGMMESA-N 283.371 4.587 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)ccc2Cl)cc1 21028846 DLRNLWSRWRVFPU-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE N#Cc1ccnc(Oc2ccc(Cl)c3ccccc23)c1 35055801 XOFWGENICINWQU-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1cccc(C#N)c1 37203295 QFHHKVAQFOBEBE-LLVKDONJSA-N 299.443 4.794 30 10 CJEE COc1ccc(C)cc1C[C@@H](C#N)c1cccc(Cl)c1 57762090 TUBHHVUYVJALLV-HNNXBMFYSA-N 285.774 4.507 30 10 CJEE CCCCCCCCO[C@H](C)[C@H](N)c1ccc(C)cc1 59083786 JVGCLRATRMGFNT-AEFFLSMTSA-N 277.452 4.760 30 10 CJEE CCCCCCCOc1cccc2c1N[C@@H](C)CC2 59089491 VROWZHCHHZPGMZ-AWEZNQCLSA-N 261.409 4.782 30 10 CJEE N#Cc1cc(Nc2ccc(Cl)c(F)c2)nc2ccccc12 68772520 AMPOEPMUAYEZQC-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CC1CCC(C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 87930591 GWEXITAMGLGGHX-UHFFFAOYSA-N 292.766 4.511 30 10 CJEE Cc1ncc(CC2(C#N)CCC(C(C)(C)C)CC2)s1 87971904 UFWBFHPMYJFZNU-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(CC)s2)CC1 91883925 UHWIDIXAVZMGAW-PWZRNIHTSA-N 291.460 4.844 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](CC)CCC1=O 94588134 RGQCASYKVXZKBY-OAHLLOKOSA-N 299.524 4.542 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H](C)Oc1cccc(Cl)c1 97419365 DVXWNBAFCXNHJN-YOEHRIQHSA-N 295.854 4.832 30 10 CJEE CCCCCCCc1nc(C(C)(C)C)n(C(C)C)c1N 110056436 UYZBDALPIHMWME-UHFFFAOYSA-N 279.472 4.857 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](CN)CC[C@@H]1C 110325931 YBBVBSOQUDDWAB-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(F)cc1C#N 111036683 BLKBOLLEIFWICO-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCCC(=O)N1CCCC[C@H]1c1nccs1 115366894 SFZSVZLCAIFESD-AWEZNQCLSA-N 294.464 4.557 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1COc2ccccc21 124903857 XJYZGKCHIXBEGY-MSOLQXFVSA-N 289.463 4.891 30 10 CJEE CCCCC[C@@H](C)Nc1cccc(SC)c1C#N 127016062 OYXMQGBTNURUMT-GFCCVEGCSA-N 262.422 4.661 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)OC)NCCC 134490138 QFBUKWYCDCZHDV-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](N)COc1cccc(Cl)c1 140261937 ICYLKCJUSHXKRE-OAHLLOKOSA-N 283.843 4.797 30 10 CJEE C=C[C@](C)(CNCCC)Cc1ccc(C(C)(C)C)cc1 158785565 KPYLHCRJWASGCW-IBGZPJMESA-N 273.464 4.719 30 10 CJEE CC[C@@H]1CCCC[C@]1(O)C1(C#N)CCCCCCC1 158996485 ZVANMZSRXVWQMF-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CCCCCCCCNC[C@H]1CSc2ccccc21 160934134 IHORIGGBZLKTEQ-HNNXBMFYSA-N 277.477 4.826 30 10 CJEE Cc1cc(C#N)ccc1Cn1ccc2cc(Cl)ccc21 166358795 GIIXBZCHMGEOMW-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(C(C)C)cc1 168060177 ZHEBWPZKOOIXSU-GOSISDBHSA-N 257.421 4.654 30 10 CJEE CCCCCCCC[C@@H](O)c1sccc1OC 168351747 GJTJXNCSVQUHNI-GFCCVEGCSA-N 256.411 4.541 30 10 CJEE CCCCCCCO[C@H]1[C@@H](NCCC)C[C@H](C)C[C@H]1C 219557905 VBCOLJUBUXPMBX-ZJPYXAASSA-N 283.500 4.776 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 227368931 DASGBFIDKONAER-MELADBBJSA-N 252.398 4.506 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(Cl)c2F)C1 229262319 VKTVRVVCXJWZQF-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CC(C)(CCC#N)CNc1c(Cl)cc(F)cc1Cl 229702033 JJFCLYXSVRRRIC-UHFFFAOYSA-N 289.181 4.874 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC2CC2)cc1 229980142 KZDDXUKZUBINPX-QGZVFWFLSA-N 262.393 4.622 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnc(C)s1 232952106 WUCFQTIVGXNNKR-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE Cc1ccc(Oc2cc(C)ccc2Cl)c(C#N)c1 235866793 RFMWKRYKKWYFDZ-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@H]1[C@@H](C)CC 250799754 CFYFDJRIHKRWTI-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE N#CC[C@@H](c1c2ccoc2cc2ccoc12)C1CC1 260713950 SMPIFCBGEQHEOD-GFCCVEGCSA-N 251.285 4.586 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)(F)F)c(C#N)c1 312352487 UAIOXVPNQFUMGI-UHFFFAOYSA-N 282.309 4.591 30 10 CJEE N#Cc1ccc(NCc2ccsc2Cl)cc1Cl 312548487 ABPDUUKDVCEZHL-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE O=CC1(C[C@H]2Cc3ccccc3S2)CCCCCC1 316534595 BIIQRIGXSSPAEI-OAHLLOKOSA-N 274.429 4.633 30 10 CJEE O=C[C@]1(C[C@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 316938098 GSZYMLNIYFOJMZ-LKCYJCQHSA-N 268.400 4.502 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C(C)(C)C1CCC1 322811804 ZCFHRVNNEUZVIF-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE C#C[C@@H](Nc1ccccc1SC(F)F)c1ccccc1 378671794 MGDWZXPTIYPFHT-CYBMUJFWSA-N 289.350 4.788 30 10 CJEE CC(C)CNC[C@@H]1CC[C@@H](C)C[C@H]1CC#CC(C)(C)C 379871729 DZCADFOPNWEPCH-KURKYZTESA-N 277.496 4.724 30 10 CJEE C=CCCCCCCN[C@H]1C[C@@H](C)CC(C)(C)C1 380629799 CPEVMWHYGMLUBR-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc2sccc2c1 386681321 XIZKZDWWRUHFQH-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE N#C[C@H](CCC1CCCCC1)NC1CCCCCC1 395168672 YNPSFVNEWBUIFM-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE CCCCCCCCCCCCNCC[C@H](C)CCO 397717286 SZLKHKSAVXKQCQ-SFHVURJKSA-N 285.516 4.906 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)[C@@H]1CC1(C)C 397820335 KPLMIPDSGFCPLI-CABCVRRESA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](N)C1CC1 399442885 WTZBEXKFSDALAB-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1nccc2ccccc12 401652946 HUSITPVOYXMEHI-HOCLYGCPSA-N 282.412 4.799 30 10 CJEE CC[C@@H](COc1cc(Cl)cc(C#N)c1)CC(F)(F)F 402288080 KILSJXPLDGWCND-SECBINFHSA-N 291.700 4.569 30 10 CJEE C[C@H](CC(F)(F)F)C[C@@]1(C#N)CCCc2ccccc21 402525598 RADNBINTJWEAQW-SWLSCSKDSA-N 281.321 4.763 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@@H]2C1 403333816 ATNRCKHGCDQZLD-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@@H]2C[C@H]2C1 403337769 SPSRPZMVYPLLRH-VQHPVUNQSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CC[C@@H]2C[C@H]2C1 403371120 MFXDQUBFJMTUQT-NCOADZHNSA-N 251.458 4.891 30 10 CJEE C=CCCC[C@@H](NCC(C)C)[C@H](C)c1ccccc1 405660740 UGYNNHVYOWGYGI-SJLPKXTDSA-N 259.437 4.761 30 10 CJEE CCCCCCCCN(C)C1(C#N)CCCCC1 690430265 MWQINZQZVCFESA-UHFFFAOYSA-N 250.430 4.505 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](COC)OC 691116781 MTUOQUHRPQHISB-KRWDZBQOSA-N 286.456 4.528 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C2CC2)nc(Cl)n1 692252635 ODTZBLYRPVQHAO-AAEUAGOBSA-N 291.826 4.554 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc(COC)c1 693435401 PCEGLRKTTKFIDI-SFHVURJKSA-N 277.452 4.974 30 10 CJEE Cc1ccc(CN(C)CC2(CS)CCCCCC2)s1 693853622 AVQPJWSLJWOWSA-UHFFFAOYSA-N 297.533 4.759 30 10 CJEE C=CCCSCCN[C@H](CC)c1cccc(Cl)c1 696017630 HLSVEXMPHCFNBT-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1CC(NC)C1 696600351 FBQJTLYCKJKLJP-ABHNRTSZSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](O)CC1(N)CCCC1 702709736 ALXDPRQQTGVWQS-INIZCTEOSA-N 269.473 4.540 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)Cc1ccc(Cl)cc1 703954333 CWAGXYZPNIAAIL-AWEZNQCLSA-N 279.855 4.853 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 710547455 JAZCNMKZZLQVLB-KFWWJZLASA-N 257.849 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc2c(n1)CCCC2 712323149 PULXOPVOIBOBJE-ZBFHGGJFSA-N 270.420 4.507 30 10 CJEE C=C(CC)C[C@@H](O)c1c(Cl)cccc1C(F)(F)F 712606368 IFEITFSSFRHQHW-LLVKDONJSA-N 278.701 4.749 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1Br 715727244 XQVSBFZXEVCKPF-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1scc(C)c1Cl 715785926 GNWFSYXGQYKRNT-JOYOIKCWSA-N 257.830 4.573 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(C(F)(F)F)s1 718000496 PWFCASPPPYXCAA-SNVBAGLBSA-N 277.355 4.774 30 10 CJEE C=C(C)CN(CC)c1c(Cl)cccc1CNC(C)(C)C 723149076 IAVNZMHUCJVDBE-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C#C[C@H](NCc1ccsc1Cl)c1ccc(Cl)cc1 811516059 COQHBSGBFHLDFA-ZDUSSCGKSA-N 296.222 4.519 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CCC)[C@@H]1CC1(C)C 821988835 UFGLQEDBYRZQMG-QZWWFDLISA-N 263.469 4.926 30 10 CJEE C=CCc1cc(C=Nc2ccc(C)cc2)cc(OCC)c1O 1084157585 GUBJHCUTEAVVNJ-UHFFFAOYSA-N 295.382 4.578 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ncc(C2CCCCC2)s1 1127890170 UUFMAIVSYHAMRV-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(-c2cccc(C)c2)cn1 1131433473 PUSNJOBGJUZZKJ-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=C(CC)CN1CCCC[C@H]1c1ccc(Cl)cc1 1170290189 GEEUFMAOLBIPID-INIZCTEOSA-N 263.812 4.833 30 10 CJEE C=CCN(CCSCc1ccccc1)Cc1ccccc1 1204441255 HTFBHOLWKIOFFO-UHFFFAOYSA-N 297.467 4.608 30 10 CJEE C=CCC1(NC[C@H]2C(C)=CCC[C@H]2C)CCCCC1 1205812483 JGGZWMVSTCUDJN-SJORKVTESA-N 261.453 4.847 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)c2cccc(C)c2)CCCC1 1279010760 DZYLGJAZLMAOHM-QGZVFWFLSA-N 299.458 4.741 30 10 CJEE C=CCn1cc2ccc(NC[C@H]3C(C)=CCC[C@@H]3C)cc2n1 1308531921 NXECVXTZYBUMRE-YJBOKZPZSA-N 295.430 4.627 30 10 CJEE CCCCN(C[C@H](C)CCC#N)[C@H]1CCC[C@H](C)C1 1308789669 HCSVMCXDEUZPCS-BBWFWOEESA-N 264.457 4.607 30 10 CJEE C=CCC1(C(=O)N(C)C2CCC(CC)CC2)CCCC1 1352866401 CCHKZCAJKDLMBS-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C=CCC[C@H](C(=O)N(C)C1CCC(C)CC1)c1ccccc1 1353855160 SCHKILVBHDYLQJ-KVZIAJEVSA-N 299.458 4.774 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 1358344968 VOFWCAFKMNMZST-KRWDZBQOSA-N 273.420 4.555 30 10 CJEE C=CC[C@H](C(=O)N(C)c1cccc(CC)c1)c1ccccc1 1436609873 WHLHAUMFTSBQLC-IBGZPJMESA-N 293.410 4.572 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C)CCCC1 1462190282 LQILGLQAPPHKGE-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(C)C)nc1C 1473637949 NTOCBUOJVJYPNB-APWZRJJASA-N 286.463 4.738 30 10 CJEE C=CCCCCCCNC(=O)Nc1scnc1C(C)C 1476609110 AQLZFVDWDGWVOE-UHFFFAOYSA-N 295.452 4.525 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1524064258 YKBUNLKOJBMGJP-GUYCJALGSA-N 293.838 4.756 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)CCCCC)CCCCC1 1526049313 OCHUWSVOMLDTKQ-MRXNPFEDSA-N 279.468 4.988 30 10 CJEE C=CCCCCCCCNC(=O)C[C@@H]1CCCC[C@@H]1C 1527925019 ZGQSBBISLRUZFA-IRXDYDNUSA-N 279.468 4.846 30 10 CJEE C=CCC1(C(=O)N(C)C2CCCCCCC2)CCCC1 1529599803 CBAOXQJFZOADAU-UHFFFAOYSA-N 277.452 4.694 30 10 CJEE C=CCC[C@@H](C(=O)NCC[C@H](C)CCC)c1ccccc1 1533847068 MRSKMUCYJXXDDS-SJLPKXTDSA-N 287.447 4.679 30 10 CJEE C=CCCCN(CC)CCc1ccc(C(F)(F)F)cc1 1559930605 AKVUAYCNZYPNHD-UHFFFAOYSA-N 285.353 4.536 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OC(C)C)c(C#N)c1 1560748809 DXNPGAITDCZSNB-OAHLLOKOSA-N 272.392 4.502 30 10 CJEE C=CCCN(C)Cc1c(Cl)cccc1SC(C)C 1560759279 XCHHPWCAYSPFDV-UHFFFAOYSA-N 283.868 4.848 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@@H](C)C1CCCCCC1 1564535537 KWJCOKPUQMCLPB-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=C[C@@H](CC)CC(=O)NCC1CC(C)(C)CC(C)(C)C1 1585759935 MBGJBSJBUXMPFH-AWEZNQCLSA-N 279.468 4.557 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)CCC[C@@H]2CC 1585797822 FWFADPDKSXQFQQ-NSHDSACASA-N 292.448 4.514 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC1CCC(C)(C)CC1 1587234262 RBKAAAPJJHCTNJ-DLBZAZTESA-N 291.479 4.844 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCCc2cc(C#N)ccc21 1621396379 GPFUDGPAYQZALA-HKUYNNGSSA-N 282.431 4.660 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)[C@@H]1CC2CCC1CC2 1621418210 FCAAOYBTCWSILF-UIJHXXCUSA-N 263.469 4.926 30 10 CJEE C=C[C@H](C(=O)N(c1ccccc1)C1CCC1)c1ccccc1 1630839122 JOIWAJGMRSDYIW-IBGZPJMESA-N 291.394 4.542 30 10 CJEE C=CCCN(CCC)[C@@H](C)c1cc2ccccc2o1 1641585085 KZQWVBXBGGIRPQ-AWEZNQCLSA-N 257.377 4.782 30 10 CJEE C=C(CC)CN(Cc1ccco1)c1ccc(C)c(C)c1 1644883381 RLYPHNLGXQOSLK-UHFFFAOYSA-N 269.388 4.869 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@@H]1CCCO1 1648613631 AGQHCKCIRHFSLC-MSOLQXFVSA-N 281.484 4.771 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](CC)CCc2ccccc2)C1 1652823478 SBBOYSULDWCIDR-CEXWTWQISA-N 271.448 4.732 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccc(F)cc1 1653193620 QAMCSERHMNBMMH-HNNXBMFYSA-N 299.389 4.584 30 10 CJEE C#CCCCCCCN(C)[C@H]1CCC[C@H]1c1ccccc1 1653848624 VXQCWYIAMDPLEY-PMACEKPBSA-N 283.459 4.838 30 10 CJEE C#CCCCCCCN[C@H](c1cccc(C)c1)C(C)C 1654462719 AHHMMRBVYTZJJR-IBGZPJMESA-N 271.448 4.865 30 10 CJEE C=CCC[C@H](CC)NCc1cccc(C)c1Br 1657789606 QUNPZANAWWNZJB-AWEZNQCLSA-N 296.252 4.592 30 10 CJEE C=C(C)[C@H](NC1C[C@@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 1659491003 OYZYWPRPRHZEIP-LXIYXOSZSA-N 293.401 4.996 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1659832978 XXJJXQBLMRMASA-JCHJZTRSSA-N 269.432 4.657 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)c1ccc(F)cc1Cl 1659872996 KCQARODILNJEJX-YPMHNXCESA-N 269.791 4.875 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@@H](CC)CC3)cc21 1660107757 VRCYSYVIAHUNFE-NVXWUHKLSA-N 297.446 4.993 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2F)C1 1660555345 NTKZWICNBWWNEB-DOMZBBRYSA-N 259.368 4.860 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCc2c(F)cccc21 1665683112 PCKGWCHEPWVNON-CXAGYDPISA-N 261.384 4.538 30 10 CJEE 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CN(CC1(CS)CCCCCC1)C1CC(C2CCC2)C1 2176757122 HBMBKOUILLOMDN-UHFFFAOYSA-N 295.536 4.767 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC1CC(CC)C1)NCC 2176818708 WKCNKALBOXEMAP-FOIPXRHGSA-N 283.500 4.512 30 10 CJEE N#Cc1cc(F)c(NCC2CC[C@H]3C[C@@H]3CC2)cc1Cl 2177387103 DDVCSLJADHAHEN-RYUDHWBXSA-N 292.785 4.589 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@H]1CCc2ccccc2C1 2178379205 UTVGTTFIOCDBMA-LPHOPBHVSA-N 272.432 4.967 30 10 CJEE N#Cc1ccc(NC2(C(F)F)CC3(CCC3)C2)cc1Cl 2179942760 UDHZGHXAQXDUNC-UHFFFAOYSA-N 296.748 4.592 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2C[C@H]3CCC[C@@H]3C2)C1 2183375653 KKSHGZKHNWIMHD-IAGOWNOFSA-N 275.480 4.927 30 10 CJEE CCc1cc(CC)c(C2=CCCCCC2=O)c(CC)c1 2183451775 MZUBGMNWKJHKKU-UHFFFAOYSA-N 270.416 4.900 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@]1(O)CCCC2(CCCCC2)C1 2184371521 IQFUAYRPBNWGTG-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE CN(c1cc(Cl)c(F)cc1C#N)[C@@H]1CCCCC1(C)C 2184414961 IFHHDGMOFBZZMF-OAHLLOKOSA-N 294.801 4.756 30 10 CJEE CN(CC1(C)CCCCC1)c1cc(Cl)c(F)cc1C#N 2184417097 CDIVFEFALKAPHE-UHFFFAOYSA-N 294.801 4.757 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@H]2C[C@H]2C(F)(F)F)CC1 2185178773 LZVLAPVSWLOBCT-KLNSDEMFSA-N 290.369 4.997 30 10 CJEE CC(C)CNC[C@@]1(CC#C[Si](C)(C)C)CCCC1(C)C 2187479505 DBABAWKYQWOTCT-SFHVURJKSA-N 293.571 4.699 30 10 CJEE CCCCCCCC[C@H](NC)c1nccn1C(C)(C)C 2189829956 KGFGPEOBLLFETF-HNNXBMFYSA-N 279.472 4.649 30 10 CJEE N#C[C@]1(CCCCCCCCCO)CCCCC12CC2 2190658323 UGJQLLHCUUTHTF-SFHVURJKSA-N 277.452 4.964 30 10 CJEE CC[C@@H](C(C)C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2190703259 RWJBGPGOLCIBEX-LPMVOBIJSA-N 279.468 4.776 30 10 CJEE C=CCC[C@@H](C)N(C)c1nc(C(C)(C)C)nc(Cl)c1C 2190850735 BSWFZBNMFFDUDC-LLVKDONJSA-N 295.858 4.527 30 10 CJEE CC#CCCCC(=O)c1ccc(-c2ccc(F)cc2)s1 2194074211 YICKGKUQACMSPD-UHFFFAOYSA-N 286.371 4.931 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]12CCOC[C@H]1C2 2194442022 CFSUQVDTQKPZNH-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CC1(CCC)CC1 2195255233 XFDCFSOBXFLAAT-SJORKVTESA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CCN(C)C 2195683223 XNZFTXYWPINEQH-GOSISDBHSA-N 282.516 4.543 30 10 CJEE C=C[C@@H]1CCCCN1CC1(c2ccccc2)CCCC1 2195932263 MVTFKRCCRRTLAW-GOSISDBHSA-N 269.432 4.539 30 10 CJEE C=C1CCC(CN(C)[C@@H]2CCC[C@H](P(C)(C)=O)C2)CC1 2195958015 CKIPQARBMZPIAK-SJORKVTESA-N 297.423 4.599 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1cscc1C(F)F)C1CC1 2196836282 IZPAUNVDRJQTIK-WFASDCNBSA-N 297.414 4.776 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)C1(C)CCC2(CC2)CC1 2196858346 NBOWUTMDFPZKTE-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccc(C(C)(C)C)cc1 2197148227 DPIQIYPMYRXMPD-GOSISDBHSA-N 265.400 4.697 30 10 CJEE Cc1ccc(NC2CC3(CCC(C)CC3)C2)cc1C#N 2199342143 NNLWQXZUHKTRMA-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1C[C@H]1C1CCOCC1 2200489876 MFCUENIYNJGWAS-XYJFISCASA-N 275.436 4.549 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc2ccccc2o1 2203786668 WXUOMWJQMXXIJA-INIZCTEOSA-N 269.388 4.667 30 10 CJEE CCCCC#CC[C@@H](CCc1ccccc1)NCCC 2203788043 UACQTCPGOJNMLK-IBGZPJMESA-N 271.448 4.571 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@H]1CCCCC12CC2 2203792747 RUKYFWPCWVNEDC-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H]1CCCc2sccc21 2203808571 XWZGWUAWDDMJSE-NVXWUHKLSA-N 289.488 4.730 30 10 CJEE CCCCCC#CC[C@H](NC)c1ccc([C@H]2C[C@@H]2C)o1 2203810699 QCEHLDKQDSUQBR-JYJNAYRXSA-N 273.420 4.637 30 10 CJEE C#C[C@@H](N[C@H]1CCCC2(CCCCC2)C1)C1CCCC1 2204031021 AHGOCSBBYWRUBE-ZWKOTPCHSA-N 273.464 4.661 30 10 CJEE C#C[C@@H](N[C@H](CCC)c1ccc(Cl)cc1)C1CCCC1 2204045837 XVOMTHPJRGBXIJ-QZTJIDSGSA-N 289.850 4.963 30 10 CJEE C=C1CCC(CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 2204607996 ZJGPHEYJDUVJBT-UHFFFAOYSA-N 294.782 4.715 30 10 CJEE CCC12COC(C[C@]3(C#N)CCCCC34CCC4)(C1)C2 2205242627 PUXFLYCSSXDFRX-NXYGQSRBSA-N 273.420 4.590 30 10 CJEE CCCCCCCCCC[C@H](N)c1nc(C)c(C)n1C 2205919570 UCDJUELTQXDEHR-INIZCTEOSA-N 279.472 4.568 30 10 CJEE C=CCCCCCC[C@H](NCC)c1cncn1C(C)C 2206884610 IHVJQYIVBFZNLC-INIZCTEOSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCN(C1CC1)[C@@H](C)c1ccccn1 2206893533 AXEQHARGZSNRLF-INIZCTEOSA-N 272.436 4.744 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CC[C@@H](OC)CC1 2207376571 JWBYKPCEMYITBH-HDICACEKSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@H](O)CC1CC(OC)C1 2207436907 MIHISKBRPBJPJF-ADKAHSJRSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@@H]1CCCO1 2207437986 QDLOQBREXHMVJX-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCNC2(CC2)C1 2207440619 YISQZEBGPHYMPM-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCC(C)(C)OC[C@@H](NCCC)C1CCCCCC1 2208068440 ZVOHTFBXMLCULM-QGZVFWFLSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](N)CS[C@H](C)CC 2214613084 JZELVOBTHZSRGP-CABCVRRESA-N 257.487 4.762 30 10 CJEE C=CCCCCCCCS[C@H]1CCC[C@H](O)C1 2214619786 DPVSBYJBHFWIAG-GJZGRUSLSA-N 256.455 4.550 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCSC1(C)C 2220084228 IVKUDFBLQBCMRI-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@@H]1C(C)C 2220086884 GSBWKRLZESRGHD-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCC[C@](C)(O)C(C)(C)C(F)F 2220092637 LZQRZBUSEDAVGH-HNNXBMFYSA-N 262.384 4.945 30 10 CJEE C=C(Cl)C[C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2220764276 ZGUUULZSXZKQBM-LLVKDONJSA-N 298.135 4.762 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)c(C)cc1N 2223219425 NWDVDJPZGQLPDM-LBPRGKRZSA-N 267.800 4.744 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)CC(C(C)C)C(C)C 2223590331 WHHMSYXYCSWXTG-CVEARBPZSA-N 253.474 4.885 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@]1(C)CC1(F)F 2223840291 VVDTYCJXBDIKSY-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCCC[C@H]1F 2223850985 QWNQHOLWNWEBHV-XHSDSOJGSA-N 257.437 4.996 30 10 CJEE CCCC1CCC([C@@H](C#CC(C)(C)C)NCC)CC1 2225419244 WZGNDFYSIMGHES-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCCNC[C@]1(C)C[C@@H]1C(F)(F)F 2227271841 BSPUFGNFIYQICL-KBPBESRZSA-N 277.374 4.691 30 10 CJEE C=CCCCCCCCN(C)Cc1nc(C)c(C)s1 2227288880 XAYHISCXNVPIKJ-UHFFFAOYSA-N 280.481 4.718 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230674855 VWTHUPPPPIWOHN-ZACQAIPSSA-N 263.469 4.785 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)CC12CCC(CC1)CC2 2231519954 COCUAMIUHRTXLC-ZLZJIPBDSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)c1nnc(C)s1 2231945277 DQJGAKILYMOFTJ-STQMWFEESA-N 283.485 4.636 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(Cl)cnc1OC 2235524711 SREKYXFDRCAVJM-OAHLLOKOSA-N 296.842 4.660 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2238679452 LKKCEBSVMAGKON-XHSDSOJGSA-N 285.422 4.879 30 10 CJEE CCCCCCCCCCOC[C@H](NC)c1ccns1 2239490965 WKUNRSMYHDYIHF-HNNXBMFYSA-N 298.496 4.561 30 10 CJEE C=C[C@@H](CCCCC)Oc1c(F)cc(C(C)=O)cc1F 2239503623 UYXDORSKOLUWCE-ZDUSSCGKSA-N 282.330 4.681 30 10 CJEE CCCCCCCCCCCOc1cc(=N)[nH]cc1C 2239508992 AKARVAPFZOYXDO-UHFFFAOYSA-N 278.440 4.712 30 10 CJEE CCCCCCCCCOC1(C(=O)O)CC2(CCC2)C1 2239514635 BQWZSIQCPGCBHH-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)[C@]12CCCC[C@@H]1CCC2 2239548238 JIHSJAUOUBUZIH-QAPCUYQASA-N 286.802 4.621 30 10 CJEE C=C(C)CN(CC)c1c(Cl)cccc1CN[C@H](C)CC 2240040856 VKNUKKFUKNMYPE-CQSZACIVSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@@H](C)NCc1nccn1C(C)C 2240641121 XMCAUSBHJXVDRB-MRXNPFEDSA-N 279.472 4.693 30 10 CJEE CCCCCCCCCN1C[C@H](O)CC12CCCCC2 2241044425 MFHKRPGYZQMFKQ-QGZVFWFLSA-N 281.484 4.507 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1csc(Cl)c1 2248458204 KCHZJCJBRJAXEP-UHFFFAOYSA-N 266.793 4.580 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1snc(Cl)c1Cl 2250162028 SVGQKQIUDXZXBS-SECBINFHSA-N 293.263 4.847 30 10 CJEE C=C(C)CCCC[C@H](O)c1cccc(F)c1Cl 2250184838 GDUNHJNQSMWURZ-ZDUSSCGKSA-N 256.748 4.649 30 10 CJEE CCCCCCCCCNC1CC2(CC(F)C2)C1 2254564789 RAFBPNIPYKKKSR-UHFFFAOYSA-N 255.421 4.607 30 10 CJEE C=C(C)CCCCC(=O)[C@H]1CCC[C@@H]1C(F)(F)F 2259177941 CFHJNMKPANNUKJ-RYUDHWBXSA-N 262.315 4.671 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C(C)(C)C1(C)C 2259193652 FLOBUAGDWUOHGT-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)CC1(C)CCC1 2261456295 UVQWMPXAXOWYOH-GOSISDBHSA-N 271.470 4.750 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(C(F)(F)F)s1 2263304642 QOCRORUBAHWWLS-BXKDBHETSA-N 277.355 4.630 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1cnsc1 2264361750 XJAYLOPGGOGZBU-INIZCTEOSA-N 283.481 4.967 30 10 CJEE Cc1cc(C#N)ccc1NCC(C)(C(C)C)C(C)C 2268550180 XCHDVQGWEBFLSB-UHFFFAOYSA-N 258.409 4.597 30 10 CJEE C=C[C@H](C)Oc1cc(C)c(Cl)cc1[C@@H](C)NCCC 2270940585 UCKATSXWRSHCLT-QWHCGFSZSA-N 281.827 4.662 30 10 CJEE CCCCCCCC[C@@H](CN)CCc1ccccc1 2271188649 VFRMKRZDYLPJKW-GOSISDBHSA-N 261.453 4.945 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(F)c(F)c1F 2271834894 LENVGGQERRIUSK-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CC1CCC(COC[C@H](CS)c2ccccc2)CC1 2271962756 ORJYYQZPXWTSJB-VMBOVVBDSA-N 278.461 4.543 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cccc(Cl)c1 2273980435 JBYGCRJKWJKBFR-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C1(CCC)CC1 2274069656 AGDNDPMRHMSTJA-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE Cc1cccc(CN(C)CCCCCCCS)c1C 2277508500 SMUQDEHHHUHCQN-UHFFFAOYSA-N 279.493 4.616 30 10 CJEE C=CCC1(Nc2ccc3cccc(Cl)c3n2)CCC1 2277662808 APBOUAUGPBWKFM-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE CC#CCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2277881173 LTGCIVUTGBVMMG-NSHDSACASA-N 289.366 4.611 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCC(C)(C)CC2)c(F)c1 2281533458 PKCDGBXDAQXYDW-SFHVURJKSA-N 276.395 4.852 30 10 CJEE CCCc1ccc(C[C@@](C)(C#N)c2ccccc2)cc1 2283526647 AHWSLIRWYHGYOE-IBGZPJMESA-N 263.384 4.663 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)CC=CC#CC(C)(C)C)CC1 2284092578 NPNPKEVYXXOQPE-SQNIBIBYSA-N 276.464 4.950 30 10 CJEE CCCCCC#CCC(=O)CCCCCCCCCN 2284918384 WUTMXPXBUQRLLQ-UHFFFAOYSA-N 279.468 4.609 30 10 CJEE O=C1C=C(c2cccc(-c3ccccc3)c2)CCCC1 2285331067 VJYIGPXPPPFEOY-UHFFFAOYSA-N 262.352 4.880 30 10 CJEE C=CC[C@H](NCCC)c1cccc(-c2ccccc2)c1 2285362063 RBPXUIIJEMSFSP-IBGZPJMESA-N 265.400 4.970 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)c1ccc2ccccc2c1 2287386641 XQWSCZQTIIQYCM-HXUWFJFHSA-N 287.428 4.992 30 10 CJEE C=C(C)CCCCN(C)CC1(C)CC2(CC(F)(F)C2)C1 2287469880 KQFIBBURGCRTPB-UHFFFAOYSA-N 285.422 4.880 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(OC)ccc1C 2287470787 UXAIZGMEVPUWJX-GOSISDBHSA-N 275.436 4.791 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)CC12CCC(CC1)C2 2289700612 OCHHRUGCGJFNSB-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)ccc1F 2289851504 HCITZIXVFDHMEY-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CCc1ccc(C#N)c(SCC2(C(F)(F)F)CCC2)c1 2290378180 WPKPWRSYVKQPJT-UHFFFAOYSA-N 299.361 4.945 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1csc(C)c1C 2292682964 DCLJIXLQQKOPPK-KRWDZBQOSA-N 297.508 4.916 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC12CCC2)OCCN 2292769939 JRWUZXWXLLXXQC-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@](CC)(OCCN)[C@H]1CC1(C)C 2292796124 FUJKGEPHOOWWLY-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)C1[C@@H]2CCCC[C@@H]12 2293006761 IUQLCULMYQWNJF-ZACQAIPSSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1ccc(F)cc1 2293263637 PJOGHJCZOBYNHF-QGZVFWFLSA-N 281.415 4.593 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C1CCC(CC)CC1 2294246537 QWZDHHQWXJRVMF-AQEOSJORSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@H](C)C1CC1 2295603472 MNDTYUVVMIOAQD-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](C[C@@H](C)CC)NC 2295684733 PRKSBCCHTQOGDV-KSZLIROESA-N 285.516 4.902 30 10 CJEE C=CCC[C@@](C)(O)c1ccc2oc3ccccc3c2c1 2295830905 NNQXSHFDDVYLQQ-GOSISDBHSA-N 266.340 4.760 30 10 CJEE Cc1ccc(-c2nc(C=CC(=O)c3ccsc3)co2)cc1 2297799759 FSJJQKUUEVVVEP-UHFFFAOYSA-N 295.363 4.608 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1cccc(Cl)c1Cl 2298817340 QWKMIAZYOWLZIF-SKDRFNHKSA-N 290.259 4.691 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@@H](SC)C1 2299298477 KDHIOGZRRQDDGZ-ZNMIVQPWSA-N 258.471 4.630 30 10 CJEE C=CCC(CC=C)SC[C@@H](C[C@H](C)CC)NCC 2313650906 KCJZUXSGIKPMAT-HUUCEWRRSA-N 269.498 4.655 30 10 CJEE SC[C@H](COCCCC1=CCCCC1)CC1CC1 2318486828 KPXXRQLNQQECMB-INIZCTEOSA-N 268.466 4.630 30 10 CJEE C[C@H]1C[C@H]1CCCCN(C)CCCCCCCS 2319879137 ULOLKUUDUHLYHN-JKSUJKDBSA-N 271.514 4.625 30 10 CJEE C=CCCC[C@H](C[C@](C)(F)C(C)(C)F)NCCC 2328044379 QEPMUFGQBRRJMW-HIFRSBDPSA-N 261.400 4.577 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330168824 IXXHGRWCDVDGJZ-XGUBFFRZSA-N 274.395 4.779 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc(C)cc1 2330449411 AJPJKRJHEBWUQK-UHFFFAOYSA-N 273.763 4.589 30 10 CJEE CCCCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)NN 2332102194 YCORECPMPGSLAT-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCOc1cccc2c1CCO2 2335348508 IXHXHMPGXDHEBR-UHFFFAOYSA-N 262.393 4.751 30 10 CJEE C=C1CCC(C[S@](=N)(=O)CC2CCC(C)CC2)CC1 2335354648 XIDJMAKNARTHEJ-KJXMEXGPSA-N 283.481 4.606 30 10 CJEE CCCCCCC[C@H](O)Cc1ccccc1C1CC1 2341758840 SNVMBYUVZZSFEO-KRWDZBQOSA-N 260.421 4.828 30 10 CJEE C=C(CC)C[C@H](N)[C@H](c1ccccc1)C1CCCC1 2342359947 GYKCKYCSRBVXQY-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE CC(C)c1cccc(C(=O)CC#CC2CCCC2)c1 2343656586 RRYIZYZPBHRLCK-UHFFFAOYSA-N 254.373 4.576 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(Cl)cccc1OC 2344338955 FFYVBHVRUTYWSF-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@]1(C)CCCCC1(F)F 2344349498 SZSLVTHYLNIXHH-QLFBSQMISA-N 273.411 4.912 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H](C)C(F)(F)F)NCCC 2344358217 UKPTZDZMEVQHKT-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)C(CC1CC1)CC1CC1 2344383410 SBOHGOXSGLKJNY-QZTJIDSGSA-N 263.469 4.783 30 10 CJEE N#C[C@@]1(CCC2(C(F)(F)F)CC2)CCCC12CCC2 2344824970 IQLKBDRUQZNFPG-AWEZNQCLSA-N 271.326 4.973 30 10 CJEE CCCCCCC[C@](C)(S[C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)O 2351991457 QGTLBAVHXRGOMR-NHIYQJMISA-N 284.465 4.722 30 10 CJEE Cc1ccc(C2(C#N)CC(C)(C(C)(C)C)C2)cc1C 2352115139 DMRJOGRJMRWMCY-UHFFFAOYSA-N 255.405 4.911 30 10 CJEE N#CC1(C[C@H]2C[C@@H](C(F)(F)F)C2)C[C@@H]2CC[C@H](C1)S2 2352836293 OEJIKPURFKWLTA-HTYKTIJTSA-N 289.366 4.533 30 10 CJEE C#CCCCCCCC(=O)Nc1ccc(C)cc1Cl 2352966540 BZKAISSMLXGRCL-UHFFFAOYSA-N 277.795 4.561 30 10 CJEE CCCCCCCCCCNCC1(Cl)CCOCC1 2353200760 GENVVLKPDUNIGT-UHFFFAOYSA-N 289.891 4.505 30 10 CJEE CSc1cc(Nc2c(C)cccc2C)ccc1C#N 2353844108 CCBJGVABMPAPAA-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC(C)(C)CC(C)(C)C1 2353845915 QOOGBQYZWXOPJJ-OAHLLOKOSA-N 285.541 4.727 30 10 CJEE N#CC1(C[C@H]2OC[C@@H]3CCCC[C@@H]32)CCCCCCC1 2358519781 OGOAGWOPUZEVFY-YESZJQIVSA-N 275.436 4.836 30 10 CJEE C=CCC(CC=C)Nc1ccc(C#N)c2ccccc12 2360205312 LMNNVSZUMWUXPO-UHFFFAOYSA-N 262.356 4.644 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCCC2(C)C)C1 2360306972 KRMMALNAIZZLQQ-ZACQAIPSSA-N 276.468 4.750 30 10 CJEE CCN([C@@H](C)c1ccc(C#N)cc1)[C@H](C)CC1CCC1 2360335301 ZWDDOYJOZSWHMC-CABCVRRESA-N 270.420 4.520 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2360341860 AAKGGCRYLFPRQB-BZUAXINKSA-N 276.420 4.657 30 10 CJEE CCC(C)(C)c1ccc(OCc2ccccc2C#N)cc1 11834135 OXYNSTJYCVOCLO-UHFFFAOYSA-N 279.383 4.825 30 10 CJEE CSc1ccc(/C=C2/CC[C@@H](C3CCCC3)C2=O)cc1 34870912 GLBIHCXXCXGIRI-KSVUCXBSSA-N 286.440 4.961 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1ccccc1Cl 37089224 IFMFQJSEIHXKRH-NSHDSACASA-N 288.753 4.832 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)c1ccccc1F 48936302 CGXFTGJFUGBYNR-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#CC[C@H](Sc1cc(F)ccc1F)c1ccccc1 55022710 VQDGCGQIGQQHSA-AWEZNQCLSA-N 275.323 4.712 30 10 CJEE CCCCCCCN[C@@H](C)c1ccccc1OC(F)F 59460367 NLMQNEHFECRAEW-ZDUSSCGKSA-N 285.378 4.909 30 10 CJEE COc1ccc(Cl)cc1[C@@H]1CCCCC[C@H]1C#N 62661299 XGZRHOXVICNITL-WCQYABFASA-N 263.768 4.536 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[C@H]1C 68585119 FKDGZYNQFDMLTL-UHIISALHSA-N 296.336 4.814 30 10 CJEE C=CCCC[C@H](NCCC)c1nccc2ccccc12 71277690 CCARZJDQROUWJU-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1 86636576 KSQCOCYZAVIBHH-UHFFFAOYSA-N 295.411 4.780 30 10 CJEE N#Cc1ccc2c(c1)nc(C1CCCCCC1)n2C1CC1 86636759 JUZAPNPYSUOVFZ-UHFFFAOYSA-N 279.387 4.681 30 10 CJEE CC[C@H](CS)COc1cc(Cl)c(Cl)cc1Cl 87078894 HKNSAXBUWHBXLQ-ZETCQYMHSA-N 299.650 4.982 30 10 CJEE C[C@@H]1CC[C@H](c2nc(-c3cccc(C#N)c3)cs2)C1 87994072 FISDQQCJYVTMOK-RISCZKNCSA-N 268.385 4.585 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(F)c(C)c2)CC1 91883786 BNFIYODURUNHEG-ZCDVPAHGSA-N 289.394 4.668 30 10 CJEE CCCC(CS)(CCC)CN1CCCCCCC1 94578838 MERHVARINRVXFJ-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CC[C@H](C)c1ccccc1OCC(C)(C)CS 94583210 AFLUTMZYUUNUBH-LBPRGKRZSA-N 252.423 4.535 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CSc2ccccc21 97220166 GAHGWRQPPKWEFV-CVEARBPZSA-N 275.461 4.600 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2cc(C)ccc2o1 97283128 ZWWYEQOJMIDVCJ-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE COc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1 100042282 LTURRRHRJHSZKM-RQZCQDPDSA-N 280.154 4.753 30 10 CJEE CCCCCCCCCCNCc1cccc(OC)c1 105838172 WDRJMQKBESPHHN-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCC(C)(C)C1CCC(C#N)(Nc2ccccc2)CC1 110028502 VBOYRTMKHXHWOD-UHFFFAOYSA-N 270.420 4.987 30 10 CJEE CCCCCCC[C@@](C)(Nc1cccc(C)c1)C(=O)OC 110319450 WIGZYBFHOIGRDS-GOSISDBHSA-N 291.435 4.699 30 10 CJEE CSc1ccc(Oc2ccc(Cl)cc2C#N)cc1 110981890 XJRGOXIHVJJTIO-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)c1ccc(F)cc1C#N 111036689 AGWRJJQBQWRBPG-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCCCCCCCN1CCC(CN)CC1 111235625 UWOPOSOPENJGFO-UHFFFAOYSA-N 282.516 4.578 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1OC)NCC 112893672 LDURYVHCBFYJHU-KRWDZBQOSA-N 277.452 4.576 30 10 CJEE CCCCCCCCCCCC[C@@]1(CN)CCC[C@H]1O 115827579 BXOCRYAKBJSFJU-MSOLQXFVSA-N 283.500 4.787 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H]1CCC[C@H]1C#N 115857526 FFIKSNVMJUHBFH-IRXDYDNUSA-N 292.467 4.716 30 10 CJEE CCCCCCCCCCNc1cc(C)c(N)cn1 124751495 MZKBDHMLSAGKIX-UHFFFAOYSA-N 263.429 4.525 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CC[C@H](CC)C1 126818331 WHRPFVLKOPEFFE-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@H](NN)C1(OCC)CCC(C)(C)CC1 131073956 SAACLCORNPGYNZ-INIZCTEOSA-N 298.515 4.554 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)CCC)NN 131144105 DBCSXYMSIMIKEV-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CCCCCCCCC[C@H](N)c1snnc1C(C)(C)C 139411888 HRBCUHAQFKOAHE-ZDUSSCGKSA-N 297.512 4.976 30 10 CJEE CCCCCCCC[C@@H](N)c1snnc1C(C)(C)C 140292213 XKBJYFWRUPRONO-GFCCVEGCSA-N 283.485 4.586 30 10 CJEE CCCCCCCC[C@@H](N)c1c(C)oc(C)c1C 158983284 OZKWKLTXBBPJIJ-OAHLLOKOSA-N 251.414 4.955 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1(N2CCCCC2)CCCC1 164669353 NPZWGJAZSKDNQQ-GOSISDBHSA-N 292.511 4.510 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H](C)c1ccc(Cl)cc1 203445600 ZBBSLRVKTHWDHU-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CC(C)(C)C)C1 222803341 SNTVCJIQWYEVOI-XHSDSOJGSA-N 278.484 4.709 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1OCC[C@@H]1C 229149500 OALUTAIVYSMMNI-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)C1[C@@H]2CCC[C@@H]12 229274378 AANWTCQKMKJXHT-OAGGEKHMSA-N 252.442 4.924 30 10 CJEE C=CCCCCC[C@@H]1CCC[C@H]1CNC(C)(C)C 232492939 LDRRWOYGNHORQM-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H](C)NCC1(SC)CCC1 232928332 DZRZFGXWDVZULJ-CQSZACIVSA-N 257.487 4.611 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2ccc(C#N)c(Cl)c2)C1 235678934 YAHOENZDQHHZFD-YPMHNXCESA-N 274.795 4.616 30 10 CJEE Cc1ccc(CNc2cc(Cl)ccc2C#N)cc1Cl 235873409 HDTKCZUFJBUATJ-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@H]1C(C)(C)C 250834027 STLLWBNZNRIMBL-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE SCC1(CN2CC[C@@H]3CCCC[C@H]3C2)CCCCCC1 250838930 LMKBCOILLWMWEY-IRXDYDNUSA-N 295.536 4.769 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@H](CS)C(C)(C)C 251506262 HEWIIJOCYPBPPJ-CHWSQXEVSA-N 299.911 4.925 30 10 CJEE Cc1ccc(C)c(N=Cc2c(C)[nH]c3ccccc23)c1 252460381 DXYGGPHOKFISLB-UHFFFAOYSA-N 262.356 4.844 30 10 CJEE O=C(/C=C\c1cnc(C2CCCC2)s1)c1cccs1 255390971 VBUHLYLDNPNMIQ-FPLPWBNLSA-N 289.425 4.758 30 10 CJEE Cc1ccc(-c2scc(C#N)c2Br)cc1C 259480511 NUSUYKNJBIVPRA-UHFFFAOYSA-N 292.201 4.666 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SC[C@H]2CCCO2)C1 300186726 ZPJBQANVNQZLRM-KLHDSHLOSA-N 295.492 4.643 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@H](CC)C1 300523206 SNKVAKVPJDODJC-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCOc1cc(F)c([N+](=O)[O-])cc1Cl 302541473 TWPHCJPXRCGBNM-UHFFFAOYSA-N 289.734 4.737 30 10 CJEE CC(C)c1ccc(-n2nc(C(C)C)c(C#N)c2Cl)cc1 307989912 WOIDOVAPYSVDOZ-UHFFFAOYSA-N 287.794 4.644 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(F)cc2Cl)c1 308122072 MQMWMXKJTPZIKY-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2CCCC(F)(F)C2)C1 310412198 NTWAZYFTAAOYTE-LLVKDONJSA-N 256.336 4.518 30 10 CJEE CCCCCCC[C@H](C)NCC1(CC)CCOCC1 311617981 GRHBKDLRTFIPPW-INIZCTEOSA-N 269.473 4.532 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)cc2C#N)c(Cl)c1 311856806 WXKQULTUBPJKFD-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE C=CCCCCCCN[C@@H]1CCCC[C@@H]1C(F)(F)F 311993517 QJFBWYVNJMFRIP-UONOGXRCSA-N 277.374 4.834 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCC[C@@H](CC)C2)CC1 316812731 JKLIOAVMVUEPIO-JCCCHCCOSA-N 250.426 4.988 30 10 CJEE C#CCCCC1(CNCC(C)C)CCC(C(C)C)CC1 318201378 WLFUTYIFDLSCRR-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE CCCCCCCCCCCCN(C)C1(CN)CCC1 385165147 FPAQFUBJMUSCIY-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CSCc1cccc(C(=O)C=C2CCCCC2)c1 385838590 RXAXFRQIHGSKKL-UHFFFAOYSA-N 260.402 4.623 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(OCCCCC)cc1 393822240 MISAFSPAZDKTDD-QGZVFWFLSA-N 275.436 4.700 30 10 CJEE N#CCc1cc2c(C(F)F)ccc(Cl)c2s1 396189411 LZAWXUWKSYHURQ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)c1ccc(N)cc1 396541622 ZWODUFMORLZJGL-AWEZNQCLSA-N 261.409 4.692 30 10 CJEE CCCCCCCCCC(=O)CC1(COC)CC1 401383134 PFDQEOKMXROBTG-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CC[C@H]1CCCC[C@H]1CNc1cc(Cl)ccc1C#N 401432191 YFDABBVKPHUHDY-JSGCOSHPSA-N 276.811 4.840 30 10 CJEE N#Cc1ccc(CNc2cc(Cl)ccc2Cl)cc1F 404260102 RBWNHMASJGWZMF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCC(=O)CN(CCC)C(=O)OC(C)(C)C 405464373 VFXXNYRWDFYTQL-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@](C)(C#N)c1ccccc1 405543805 MNWHNPOORLTOCS-GXTWGEPZSA-N 269.310 4.837 30 10 CJEE CC1(C)CCC(C=O)(CCC(C)(C)C2CC2)CC1 406139077 PHQXZHCFCDIKEY-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=C(C)CCS[C@H](C)c1nc(-c2ccccc2C)no1 507090460 WZYKBQICBPRNSJ-CYBMUJFWSA-N 288.416 4.805 30 10 CJEE C=CCCCCCNC(=O)Nc1ccccc1C(C)(F)F 654105418 DBOSNUPFIDVVNO-UHFFFAOYSA-N 296.361 4.666 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@@H](C)O[C@@H]1C 686455630 ZSWPKRDOBVKOHM-JFIYKMOQSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@H](C[C@H](CC)CC(F)F)NN 688882106 SYKJVDMHXLFNEK-UONOGXRCSA-N 278.431 4.640 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@H]1OCC 689893337 KDGFWVWVYUOKOT-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCc1cc(NC[C@@H](C#N)C2CCCCC2)ccc1F 690129373 ZZZCIDXBEZOQIL-OAHLLOKOSA-N 274.383 4.520 30 10 CJEE C=CCCCCC[C@H](NC)c1csc(C(C)C)n1 695417955 RANWKUMNZURLBR-ZDUSSCGKSA-N 266.454 4.664 30 10 CJEE CCCCCCCC(=O)c1csc(C(C)C)n1 695439071 UEZHMFROJSENES-UHFFFAOYSA-N 253.411 4.810 30 10 CJEE CCCCCCCn1ccc2c1CC(C)(C)CC2=O 703707624 DLOBLTLZBMKOHI-UHFFFAOYSA-N 261.409 4.614 30 10 CJEE SCCCCCCCCCN1CCC[C@@H]1C1CC1 706681960 ANZMAINOBCKYGU-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE CN(C[C@H](CS)c1ccccc1)[C@H]1CCCC(C)(C)C1 708603037 XFNYRTPEBUEYTB-SJORKVTESA-N 291.504 4.601 30 10 CJEE C=C(Cl)C[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 710650216 MDFZGVATNOGYDB-CYBMUJFWSA-N 257.849 4.570 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](C)[C@@H]1CCCCO1 711873356 NWQDAQKVBGIJRV-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CC(C)CCCC/N=C1/NC2(CCCCCCC2)CS1 713205220 DKMVNAOCSLGAIZ-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CC[C@@H](C3CC3)O2)CC1 715437901 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CCCCCCCCCCN[C@@H](C)c1nccs1 114669563 ZGKUTTZMDDTODX-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCC[C@H](NC)c1c(F)cc(OC)cc1F 115857000 MLXJDBZEMRPDIJ-INIZCTEOSA-N 299.405 4.985 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc2c(c1)CCC2 122231701 QUJAMMVKZBATJW-LJQANCHMSA-N 288.479 4.820 30 10 CJEE CCCCCCCN1CCC[C@H](NC)c2ccccc21 122937300 VZVJTVHJHQXRBJ-KRWDZBQOSA-N 274.452 4.518 30 10 CJEE CCc1cccc(CC)c1Nc1ccc(C#N)c(C)c1 126809309 ODUUBGGQWYOORY-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@@H]1CCCN(CC)C1 129249778 VATBUQFIONZPRD-RTBURBONSA-N 296.543 4.837 30 10 CJEE CSc1cccc(Nc2c(F)ccc(C)c2F)c1C#N 136690868 QQBBOFDMTVOEJY-UHFFFAOYSA-N 290.338 4.610 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](CCC)OC 158218335 SPQYDPAICUUGBX-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](OCC)C(C)C 158230837 RJOXJHOKRIRDAZ-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@@H](N)C1(OCC)CCCCCC1 159906762 BVRDICHUYLPYCC-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C[C@@H]1CC[C@](C#N)(Nc2cccc(F)c2)c2ccccc21 163863945 XYLODYLMBIMSPO-FZKQIMNGSA-N 280.346 4.554 30 10 CJEE CCn1cc(/C=N/Nc2ccc(Cl)cc2)c2ccccc21 169878907 UWZACJLLAZAHRC-YBFXNURJSA-N 297.789 4.761 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222215474 FLKNNYCTGBDWIQ-YYIAUSFCSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)CCC[C@@H](C)C1 226462972 ANMRESKZAHBOJD-WBVHZDCISA-N 267.457 4.604 30 10 CJEE CCCCCCCC[C@H](N)c1cnc2ccccc2c1 229527899 ZXYUGIALJMWPDF-KRWDZBQOSA-N 270.420 4.985 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 229736658 RFARJFAZICTMKK-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)cc(Br)c1 229753236 REDZGTMDDQDKKG-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@H](NN)C1(C)CCCCC1 232963403 SQQHCFDHDSJWKN-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE C#CCCC[C@@H](NCC)c1cc(Cl)sc1Cl 233590830 BSOYMVNCHLSRSG-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C=CCCCCCOc1cc(F)ccc1[C@@H](C)NCC 233602935 FYWPRLIXXVTTIT-CQSZACIVSA-N 279.399 4.621 30 10 CJEE CSc1cccc(N[C@H]2CCC[C@H](C)CC2)c1C#N 235101250 NLWMCRHBHOCANN-STQMWFEESA-N 274.433 4.661 30 10 CJEE CCC(CC)N(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252405127 DLMAZLFDUUUSQJ-YQQAZPJKSA-N 278.484 4.851 30 10 CJEE CC(C)Oc1ccc(C23CCC(C#N)(CC2)CC3)cc1 258510328 FEOAZUAFSMTHLQ-UHFFFAOYSA-N 269.388 4.589 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC(F)(F)C2)C1 305954519 HXCZHGYULHLEBH-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CCC(F)(F)C1 305991570 UJUOOPOJSGBGDX-KBPBESRZSA-N 262.384 4.923 30 10 CJEE CC(C)CC[C@@](C)(O)C1(C#N)CCC(C(C)C)CC1 311623926 TXOBJGXLVWIRSJ-AQFXKWCLSA-N 265.441 4.530 30 10 CJEE N#C[C@]1([C@@H]2C=CCCCCC2)CCc2ccccc21 311633083 VYZUKAOHLBZZSX-AEFFLSMTSA-N 251.373 4.531 30 10 CJEE CC(C)CN(C[C@H](CS)C(C)(C)C)c1ccccc1 311991102 PYSCMPDTFDBFEO-OAHLLOKOSA-N 279.493 4.741 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 316831238 VLAJYUWHYUBABT-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CCCCCCCCCCNCc1ccoc1C 321358825 DKGXEJOTALPZRW-UHFFFAOYSA-N 251.414 4.818 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(OC(F)(F)F)c1 380129239 MTLGORFZMJWPQI-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCCCCCO)CC1 381798990 JBGQEIKWUBUBER-UHFFFAOYSA-N 265.441 4.675 30 10 CJEE CCCCCCC[C@@H](NCCC)c1csc(OC)n1 382523918 ULZDFVKETNXIBJ-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCC(CC)(CS)COC[C@H]1CCC[C@H](C)C1 383129324 RBKQYACZXNKXBK-KBPBESRZSA-N 258.471 4.566 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(C(F)F)c1 386445623 PPPYYCIHANJNCR-UHFFFAOYSA-N 266.335 4.756 30 10 CJEE C=CC[C@H](CCCOCc1ccccc1)CNC(C)(C)C 386786697 MFIJUMWMGBNTTP-QGZVFWFLSA-N 289.463 4.564 30 10 CJEE CCCCCCCOc1csc([C@H](C)NCCC)n1 396707520 LXGHVVLSHIDNEA-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CNC[C@H](C)C1 401795668 QFVTXABPRISNQI-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCCCCC 475549600 SUPSRYRSOWLJTP-UHFFFAOYSA-N 288.435 4.850 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc2ccccc12 606814905 XAYPXOMNBPCAAF-UHFFFAOYSA-N 281.399 4.658 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@@H](C)O[C@@H]1C 686448817 LMTXBGBAHNUXIE-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(C(F)(F)F)cc1 686701644 NRGCUOLVPYJQHU-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(Cl)cn1 695260509 KQNVDUDPSBUGHQ-XJKCOSOUSA-N 278.827 4.521 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1C=C[C@@H](N)C1 697385040 NYQLVXZPVPXZCF-KURKYZTESA-N 281.484 4.562 30 10 CJEE CCCCCCCCCCN[C@@H]1COC[C@@H]1CCC 710914321 JBEBMDINGRLSDB-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 715789004 OEPVAFCWRWGWMT-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE CC[C@@](C)(C=O)CCc1cc(Cl)cc(Cl)c1 722135960 JEIFBRRXAZPRTG-CYBMUJFWSA-N 259.176 4.541 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1nn(C)cc1C 723502314 NYNRETZXQVECFH-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE N#Cc1ccc(N[C@H](C2CCCCC2)C2CC2)cc1Cl 723843216 GJITWRGZSRNJAT-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=C1CCC(CNCc2c[nH]c3cc(Cl)ccc23)CC1 724447279 TXLXULUZKNJPFK-UHFFFAOYSA-N 288.822 4.657 30 10 CJEE C[C@H]1CC[C@H](/N=C2/N[C@@H](C3CCCCC3)CCS2)CC1 725089670 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C=CC[C@@H]1N(C(=O)C2CCC3(CC2)CC3)CCCC1(C)C 1270799668 BVGRRVRWILIGAQ-INIZCTEOSA-N 289.463 4.550 30 10 CJEE C=CCC1(NC(=O)CC/C=C\c2ccccc2)CCCCC1 1297943718 VVHMTMZCBNHIDT-QPEQYQDCSA-N 297.442 4.875 30 10 CJEE C=CCCN1c2ccccc2CC[C@H]1Cc1ccccc1 1308145953 RXMJHMQNGZOTDY-IBGZPJMESA-N 277.411 4.627 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@H](CCC)CCCC)C1 1308309687 RZKNBEDPQSXOEP-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C#C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1 1308795117 FEQNWXYIKMSKPM-WMLDXEAASA-N 289.850 4.820 30 10 CJEE C=CCN(C(=O)c1ccc(C)c(C)c1Cl)c1ccccc1 1349735239 WZUPINRJPJAPRF-UHFFFAOYSA-N 299.801 4.790 30 10 CJEE C#Cc1cccc(NC(=O)C[C@@H](C)CCCCCC)c1 1352372037 TXQJQPDNLZZOEL-HNNXBMFYSA-N 271.404 4.603 30 10 CJEE C=CC1(CC(=O)Nc2ccccc2CC)CCCCC1 1355335067 KPKVIILAJVAUJM-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 1436018639 AVHRVMKBQRNGAN-QGZVFWFLSA-N 283.415 4.880 30 10 CJEE CC#CCCCC(=O)O[C@H](CC)c1cccc(Cl)c1F 1459158785 ICABIZKUNBVGAE-CQSZACIVSA-N 296.769 4.667 30 10 CJEE C=CCCC[C@@H](C(=O)NC[C@]1(C)CC1(C)C)c1ccccc1 1462528870 HYIPDCWQGRDYKX-XLIONFOSSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@]1(C)CC(C)C 1470102618 ZLNYGTAOEBMTCY-GOSISDBHSA-N 294.483 4.733 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)[C@@H]1CC2CCC1CC2 1474607816 FYFBFKYEHJGIGU-QOCJCZBQSA-N 263.469 4.926 30 10 CJEE C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 1518324697 GALSNGBOCLFHIR-OAHLLOKOSA-N 299.458 4.560 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](CC)c1ccc(F)c(C)c1 1528083076 WHSIEZIVVRMSCW-OAHLLOKOSA-N 278.367 4.731 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc(CCC)c(C)s1 1531441627 QDHQTTNZDLLOTI-UHFFFAOYSA-N 293.476 4.731 30 10 CJEE C#Cc1cccc(N(CCCCC)Cc2ccccc2)c1 1559645251 ZDRLNYOVTOOOMN-UHFFFAOYSA-N 277.411 4.865 30 10 CJEE C=CCCCN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1560804143 SSZNCDZPRPXEMM-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C#C[C@H](N[C@@H](C)CC(C)(C)C)c1ccc(Cl)cc1F 1560825362 KFLGPBOHFPKSLA-NHYWBVRUSA-N 281.802 4.568 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@H](C)CCCc1ccccc1 1585793286 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257.421 4.817 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCC=C(C)C 2231927548 BXCNVKHOVQIKKB-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE C=CCCCCC[C@@H](O)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233625765 TUROZASSBVLELX-WTXIUTQJSA-N 286.406 4.945 30 10 CJEE CCCC#C[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2233782387 NLKRHMAEYDBRDP-KVMJBUIKSA-N 273.464 4.504 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1c(F)ccc(F)c1Cl 2233782686 PUMGQTPAYCUVRX-ZDUSSCGKSA-N 299.792 4.708 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](CN)CC(C)C 2235517927 BJQJVVSJHUAILO-MSOLQXFVSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCC[C@]1(O)CCc2ccc(F)cc21 2235522527 VKKBVRNCBYZWHW-SFHVURJKSA-N 276.395 4.876 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1Cc2ccccc2S1 2235523965 LBCDXXCPRFVKIP-WMZOPIPTSA-N 289.488 4.947 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@](O)(CC)CCC 2235525482 BCIQMWMQNARXAK-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](O)C(C)(C)C(C)C 2235533477 UEDSUIKLCFLENK-IAGOWNOFSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 2235787132 NBBDUCLBIGZOSX-LTFXXXRZSA-N 275.480 4.879 30 10 CJEE C=CCCCCCCCN(CCCC)C1CCOCC1 2235787299 OTKFUZAGUYUEKM-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@@H](SC)C1CC1 2236675109 AVPAIIMHCXZBCJ-SJORKVTESA-N 298.540 4.657 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@@]2(C#N)CCCC2(C)C)c1 2237905274 PSVHOHIRUGNERT-DLBZAZTESA-N 291.822 4.576 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cc(F)cc(Cl)c1 2237999907 ZTXGEWYCBCRCKF-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCC[C@@H](C)NCC12CC(C(C)C)(CO1)C2 2238319292 HLKHNFHMHWFPKO-WWDZGPRUSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCO[C@H](C)[C@H](N)c1ccccc1 2239454489 IXHPPJKSWSCPHJ-AEFFLSMTSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](N)c1ccccc1 2239454492 IXHPPJKSWSCPHJ-WMZOPIPTSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CC[C@@H](C)CN1 2239485230 ZWTDOVRFWZGXLN-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC1([C@@H](N)C#Cc2ccc(Cl)cc2)CCCCCCC1 2239566065 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4.570 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C(CC)(CC)OCC 2271791445 LZZLYNIJMYLTLL-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@]23CCC[C@H]2CC3)CC1 2273327234 VIGMJYYNLGPURY-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE O=C[C@]1(C[C@]23CCCC[C@@H]2CC3)CCCC12CCC2 2273421416 KHEGMSFSTWRRIF-JFIYKMOQSA-N 260.421 4.886 30 10 CJEE C=C1CC(CNCCC)(C[C@@]23CCCC[C@H]2CC3)C1 2273487042 SCYYZJIHAYHASC-WMZOPIPTSA-N 261.453 4.683 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@]23CCCC[C@@H]2CC3)C1 2273512636 YXHJHABWCKYSDY-AEFFLSMTSA-N 261.453 4.681 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(C#CC2CCCCC2)CC1 2274053939 XFLFOHRFJJOTAS-ZWKOTPCHSA-N 262.437 4.538 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@H]1CCC 2276766013 AACRUHSPARHZLW-SJORKVTESA-N 269.473 4.661 30 10 CJEE CC(C)(C)N(CCCCCCCS)Cc1ccco1 2277505496 HFCRSOCZHWERKB-UHFFFAOYSA-N 283.481 4.760 30 10 CJEE C=CCC(C)(C)OC(=O)c1sc(C(F)(F)F)cc1C 2277880584 DGMQOGICRSNURU-UHFFFAOYSA-N 292.322 4.587 30 10 CJEE Cc1cc(N[C@@H]2CCCCC23CCC3)cc(C)c1C#N 2280570578 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C[C@H]1C[C@H]1CCCCCn1ccc2ccc(C#N)cc21 2284945845 MMWINAJPQVUUBA-WMLDXEAASA-N 266.388 4.729 30 10 CJEE C=CCC(C)(C)Oc1ccc([C@H](C)NCCC)c(C)c1 2285228260 MUVNYWVLTSAIEU-HNNXBMFYSA-N 275.436 4.789 30 10 CJEE CCc1ccnc(C2(C#N)CC(C)(C)CC(C)(C)C2)c1 2285491712 ZBMOEYSIAKRGNY-UHFFFAOYSA-N 270.420 4.642 30 10 CJEE C=C(C)CCCCN1CCC[C@H]1c1cccc(OC)c1 2287467994 QZOMSSIHPNYTJT-SFHVURJKSA-N 273.420 4.579 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)[C@H](CC)CCC 2287659627 FNBVRKXMTGLTSR-SJLPKXTDSA-N 291.866 4.886 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](CC2CC2)CS1 2287884061 IMUPOCKEAQAXMH-GOEBONIOSA-N 296.524 4.700 30 10 CJEE C=C1CC(C=O)(CCCCCCCCCCCCO)C1 2289419650 BVUMXAHXCCHUDY-UHFFFAOYSA-N 280.452 4.805 30 10 CJEE CSCC1(C[C@]2(C#N)CCOC23CCCCC3)CCC1 2289655657 KFMWHANQWRFWPD-INIZCTEOSA-N 293.476 4.543 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2289759446 GSWXHIIGLLIMBJ-OKZBNKHCSA-N 272.432 4.746 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C[C@@H](C)C(F)(F)F 2289789690 HBSQVGHNCDKAKS-UKRRQHHQSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)C1CCC1 2290918877 USIOHFQPWSTGNZ-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CC[C@@H](C)C1 2292785839 ANTTVZDJGJMSKP-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@H]1CCCS1 2292792082 KPQSLHHQXIDFOZ-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C[C@@H](C)CC[C@@H]1C 2292891054 GCSTWXCVHVRKME-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCN)C(C)(C)C1CCCCC1 2293133887 HPWZZAWWWXXNQQ-WBVHZDCISA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(SC)cc1 2293290549 YPPWLTDUCGMPCB-KRWDZBQOSA-N 293.476 4.561 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccc(Cl)cc1 2293829895 ZTZFQYMEUOFQEV-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE C=CCCCCCCC[C@@](C)(CC1CC1)OCCCN 2293874786 ZOJFCJWMXZHFKH-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)OCCCN 2294287108 MGGRVGFPLVOOJH-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC1(OCCN)C[C@@H]2CC[C@H](C1)S2 2294580999 XZBJPWNLRZFINX-SJPCQFCGSA-N 299.524 4.509 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CCO)C(C)(C)C 2295668028 CXBKOBWZVRDGMF-SJORKVTESA-N 285.516 4.902 30 10 CJEE CCCC[C@H](CC)CSc1ccc(C#N)c([N+](=O)[O-])c1 2295698187 YRBDUDOJKKGSSU-LBPRGKRZSA-N 292.404 4.775 30 10 CJEE CCCCCCS[C@@H]1C[C@H](C)C[C@@](C#N)(NCCC)C1 2295760648 DVNKHTOCLJFVOH-GVDBMIGSSA-N 296.524 4.750 30 10 CJEE CCOc1ccc(C(=O)C=CNc2cccc(C)c2C)cc1 2296876041 SCXWMIGJRHESOW-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(Cl)sc1Cl 2298828795 QVRFHMBYLKHEFB-UHFFFAOYSA-N 291.199 4.733 30 10 CJEE C=CCCCCCCCCCNOCC(=C)Cl 2298954627 IVOYEJJLZQBSKB-UHFFFAOYSA-N 259.821 4.567 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(Br)ccc1C 2304027233 GZGRIRJEJLSTDP-AWEZNQCLSA-N 296.252 4.620 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C)cc1Cl 2304062917 PXVUUZPVHAZAEP-CABCVRRESA-N 251.801 4.641 30 10 CJEE CCc1csc(SC[C@@](C)(CS)C(C)(C)C)n1 2307092928 HCENVMDHIPBHRC-CYBMUJFWSA-N 289.535 4.780 30 10 CJEE C=C(C)[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2307610218 TVFCXUGBUUZCAB-CQSZACIVSA-N 272.219 4.919 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2309894218 YZIGVJAJHLOKSJ-YYIAUSFCSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)OC(=O)C=Cc1cccc(Cl)c1Cl 2313538982 FMALBCUVFVSAQD-SNVBAGLBSA-N 285.170 4.514 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Cl)c1CNC(C)C 2313692598 PWXGZHUBZWGYTI-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE CC#CCCCCC(=O)c1c(F)ccc(C)c1Cl 2314003995 XHMBAFHDEUOWDR-UHFFFAOYSA-N 266.743 4.554 30 10 CJEE Cc1c(Cl)ccc(Nc2ccc(C#N)cc2)c1Cl 2317838943 KMQIOPMCQVLJEG-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC[C@H]1CCCC1(F)F 2321099245 PYHWOVKIDLRMKO-RDBSUJKOSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1C[C@@H]1CC)NCC 2321129824 DPPOMBYHMLICLD-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)C(=O)CCCCC(F)(F)C(F)(F)F 2321176551 DZXDLDGPUKXXQW-VIFPVBQESA-N 272.257 4.526 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@H]1CCC(C)(C)C1)NCC 2321602136 FELKBCKVXUEBBI-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE CC(C)(C)C#CC=CCC12CC(CC(F)F)(C1)C2 2321623543 ZBTFBFQXSGVABD-UHFFFAOYSA-N 252.348 4.808 30 10 CJEE CCCCC#CC[C@H](N)c1c(Cl)cc(C)cc1Cl 2327879058 FYYOPWMETAUZGI-AWEZNQCLSA-N 284.230 4.885 30 10 CJEE C=C([C@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21)[Si](C)(C)C 2329817126 BKEGZHRTARKKLR-QAETUUGQSA-N 279.544 4.615 30 10 CJEE C[C@H]1CC[C@H](CSCc2cc(F)cc(C#N)c2)CC1 2335352733 VAHXMSMJRCAJEO-JOCQHMNTSA-N 277.408 4.757 30 10 CJEE C=CCC(CC=C)N1CCC[C@@H](C2CCCCC2)C1 2338726657 CVGLRMSZKVMBIN-QGZVFWFLSA-N 261.453 4.800 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)CCCCC1CC1 2341417450 DRGKTCCHSAEWGK-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=C(C)C[C@@H](CC1CCC(C(F)(F)F)CC1)NCC 2341930665 VCDBZTJSTOKSDA-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CC1=C(C)C[C@@H](COCC2(C#N)CCCCC2)CC1 2343292528 JYBZMNHJDAJTRU-INIZCTEOSA-N 261.409 4.614 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCCC1(F)F)NCCC 2344341207 ZVUCYMYPKJUMQE-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(CCCC)cc1 2344344180 HMBMTMYPXPRFFZ-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC1C2(CCC2)C12CCC2 2344366998 JUBDPMTXCXUGLZ-MRXNPFEDSA-N 260.421 4.908 30 10 CJEE CC1(C)CCC[C@](C=O)(CCCOC(C)(C)C)CC1 2345356999 JHJDDHUJHWHTIO-KRWDZBQOSA-N 268.441 4.757 30 10 CJEE CCCCCCCCOC[C@@H](N)C1CCC(C)CC1 2351757369 XBQGZGRZLNBBOV-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE C=CCC[C@](C)(O)c1ccc(CCCCCC)cc1 2353112771 QUBYWMRWPRFARD-SFHVURJKSA-N 260.421 4.983 30 10 CJEE CSc1cc(Nc2c(C)cccc2Cl)ccc1C#N 2353831973 NQEUYWMGHVJEMX-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@@H]1O2)NCCC 2355049731 MLVAUIYOYBAXJB-TVFCKZIOSA-N 281.484 4.673 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1C[C@@H]2CC[C@H]1O2 2358322208 MKNVZZMQLPALHM-BSDSXHPESA-N 279.468 4.578 30 10 CJEE C=CCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 10451620 RHGRRWMKGIELOL-UHFFFAOYSA-N 295.382 4.627 30 10 CJEE C=C(C)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 14784358 UNXHUSKRONGRFE-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=C(Cl)COc1c([C@@H](C)NCC)ccc2ccccc12 37710446 JQPSMYYBCZDCQN-CYBMUJFWSA-N 289.806 4.642 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 37935796 HKIWYGGRFLVEGX-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#CCc1cc(-c2ccc(F)cc2)cc(C(F)(F)F)c1 47205215 XTZWZTCJIBYJAD-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)s1 49131150 FTEXDCJOADGEQQ-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccsc1 50340705 CERIFLOGSRROIX-GFCCVEGCSA-N 270.401 4.722 30 10 CJEE N#C[C@H](CCOc1ccc(Cl)cc1)c1cccc(F)c1 57688362 SKYYKVRSDAVINZ-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)c(F)c1 59228113 QNQDXVMRMHTEAX-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE CCCCCCCOc1cc(OCCC)ccc1CNC 59272132 PCKUGXOTCXEHRI-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE C=CCCC[C@H](Cc1cccc(Cl)c1)NCCC 71276548 JFBGOHJWEFDBQE-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE N#CC1(Cc2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 87945804 IUXUREZIFGLBEL-UHFFFAOYSA-N 292.766 4.655 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1cccc(Cl)c1C#N 88513320 CFZVGCDDVUEVOS-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CN(CC1(CS)CCCCCC1)c1ccc(F)cc1 94580500 DIVMMLMUPIBYGH-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE FC(F)(F)c1cccc(OCC2(CS)CCCC2)c1 94584129 CTWYCFLZUHQMIF-UHFFFAOYSA-N 290.350 4.574 30 10 CJEE C=CCCC[C@@H](CSc1ccccc1C)NCCC 97429512 ZCYOCLDTSZEFNE-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=C(C)CCOCc1ccc([C@H](C)CNC(C)(C)C)cc1 97811597 KZSGQMAFWOFZJQ-MRXNPFEDSA-N 289.463 4.661 30 10 CJEE CCCCCCCn1c([C@@H]2CCCO2)nc2ccccc21 102192924 CYZABWOIYKKQKK-KRWDZBQOSA-N 286.419 4.858 30 10 CJEE C#CC[C@@H](CCC)c1ccc(CC)c(Br)c1 107478235 UIENMHCCLADYBU-ZDUSSCGKSA-N 279.221 4.919 30 10 CJEE CCCCCCCCCCOc1cc(OC)ccc1CN 110094999 WHZBJICCHQBJEQ-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE CCCCCCC[C@@]1(CNC)CCCc2ccccc21 110212143 VWWHNDYIOFEPJT-IBGZPJMESA-N 273.464 4.841 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(F)c(F)c1 112885361 SNNSKHHWZKMFEE-OAHLLOKOSA-N 256.336 4.749 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@@H]1CC 115248948 UBQZAVDEKIVALT-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCO[C@@H]1CC(=O)C12CCCCCC2 117298755 HTQPKWMKVMYHON-MRXNPFEDSA-N 266.425 4.655 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(C(C)C)cc1)NN 122577797 NXLYLWJCDVHYEQ-SFHVURJKSA-N 276.468 4.545 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CCCOC1 126688903 REJLXJRXYULJJO-MSOLQXFVSA-N 298.515 4.556 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130474928 KCHSWHQNDMPCSK-AEFFLSMTSA-N 289.463 4.962 30 10 CJEE CCCCCCCCOC[C@@H](O)c1cc(C)cc(C)c1 133525214 SJCCHNXQJQMCMP-GOSISDBHSA-N 278.436 4.714 30 10 CJEE C=C(CN[C@H](C)c1ccc(Cl)s1)c1ccccc1 134360761 MVGJVDXJMFOGQA-GFCCVEGCSA-N 277.820 4.766 30 10 CJEE CCCCCCCCCNc1cccc(N(C)C)c1 135470550 GUIZQKMFSFLMBG-UHFFFAOYSA-N 262.441 4.915 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 156216759 ZWRNJOQQQGISJP-OWCLPIDISA-N 251.458 4.641 30 10 CJEE CCCCCCCCOc1cc(F)cc(C[C@@H](N)CC)c1 157495316 VDBPAKLXNOYAND-KRWDZBQOSA-N 295.442 4.845 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc2c(c1)Cc1ccccc1-2 162627122 UAILJJFHMVFPDI-LSDHHAIUSA-N 277.411 4.873 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)C1CNC1 164854255 QZRRVBJKBRLIPY-MRXNPFEDSA-N 281.484 4.722 30 10 CJEE Clc1cccc(Cl)c1/C=N\Cc1ccccc1 166275191 IIUFGOZQEGWUPN-YVLHZVERSA-N 264.155 4.613 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C#N)cc1F 217865180 BHNKZNNUKNSCGH-QEORTHHSSA-N 275.367 4.537 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@@H]2CCCC[C@H]2C)cc1 219577069 DFOTYEQLRUMDSR-OLMNPRSZSA-N 270.420 4.543 30 10 CJEE CC1CCC(C#N)(Cc2cc(Cl)cc3c2OCC3)CC1 228551676 GZMHTYOXCQLFOX-UHFFFAOYSA-N 289.806 4.537 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 228817558 TYEYEBYZOJJKTP-MNOVXSKESA-N 272.219 4.999 30 10 CJEE CCSc1cccc(N(C)[C@@H]2CCC[C@@H](C)C2)c1C#N 228882249 NVNLTNFTJKRFIN-ZIAGYGMSSA-N 288.460 4.685 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1CNCCC 233118329 PFSWQPWPEQDSPJ-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(C)cc1Cl 233599187 YACKWLDLTICJFU-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CC1=C[C@H](C)C[C@H](CNc2ccc(C#N)cc2Cl)C1 235397486 NCJQUMNWRMXYFC-FZMZJTMJSA-N 274.795 4.616 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O 235570779 QFFNYRLVMFOJGD-XHSDSOJGSA-N 252.442 4.946 30 10 CJEE CCOc1ccc(N=Cc2c(C)[nH]c3ccccc23)cc1 254392101 PRERPWLWHRXJPI-UHFFFAOYSA-N 278.355 4.626 30 10 CJEE N#CC[C@H](c1c(Cl)cccc1Br)C1CC1 260399518 RLOJAWHLFGIAOJ-VIFPVBQESA-N 284.584 4.510 30 10 CJEE CC(C)C1CCC(/C=C/B2OC(C)(C)C(C)(C)O2)CC1 307350703 JBROEHRMQYRPKA-VAWYXSNFSA-N 278.245 4.636 30 10 CJEE CCCCCCCCc1ncccc1Br 308942237 VHDKKPVUXXHNMC-UHFFFAOYSA-N 270.214 4.747 30 10 CJEE N#CC1([C@@H]2CCOC3(CCCCC3)C2)CCCCC1 311347583 CQNVDHUKYQGCGI-OAHLLOKOSA-N 261.409 4.590 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCCCO1 314912390 OLSJARMIWOGFNM-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE C#C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccccc1 378705198 MVQRIGHAWLWGGZ-SFHVURJKSA-N 263.384 4.771 30 10 CJEE CCCC1(/N=C2/NC3(CCC(C)CC3)CS2)CCCC1 382343934 LZXWCGBJGDLUAA-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE Cc1cccc(Nc2ccc(C#N)c(Cl)c2)c1Cl 385351662 FSAJMBNPFUQACM-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cnc(Cl)cc2Cl)C1 385566955 WGCDFBCBVMKQBN-YGRLFVJLSA-N 283.202 4.651 30 10 CJEE C=CCC(C)(C)COc1ccc(C(C)=O)cc1Cl 385995245 QOKBDTMNGXAPSZ-UHFFFAOYSA-N 266.768 4.524 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H]1CCCC(F)(F)C1 387464112 SFPJXERLCOJBAA-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](CC)NCc1ccc(F)c(-c2cccs2)c1 393759881 ZLFFWEAEDBFWKE-AWEZNQCLSA-N 289.419 4.999 30 10 CJEE Cc1ccc(N[C@@H](C#N)CCC2CCCCC2)cc1 395128165 DJTUJEDBKMQOLY-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CCc1cccc(CC)c1NC[C@@H](C#N)C1CCCC1 397179857 DTAJPRQVTFYDGY-QGZVFWFLSA-N 270.420 4.553 30 10 CJEE N#C[C@@H](CSc1nc2ccccc2s1)C1CCCC1 397193376 KQTKFLPJEAKKQR-LBPRGKRZSA-N 288.441 4.718 30 10 CJEE Cc1cc([C@@H](C)NC[C@@H](C#N)C2CCCCC2)c(C)s1 397195656 NFGZFNIPCCRLON-CZUORRHYSA-N 290.476 4.736 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1CC(C)(C)Oc2ccccc21 398055614 DPHKCHPEWBINEQ-GDBMZVCRSA-N 273.420 4.623 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cc(F)c(C)cc21 398303156 KAZKAAZWWKAOMC-NSHDSACASA-N 278.396 4.690 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CC2(CCC2)C[C@H]1C 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C=C1CCC(C[C@H](NCC)[C@H]2CCCC23CC3)CC1 724599283 FIQOVQQMYOCPRY-SJORKVTESA-N 261.453 4.681 30 10 CJEE N#CC1CCC(CNc2cc3ccccc3c(Cl)n2)CC1 799324709 WNEAMXACAMBNAF-UHFFFAOYSA-N 299.805 4.630 30 10 CJEE C=CCC[C@H](NCC[C@@]1(C)C[C@]1(F)Cl)c1ccco1 846186624 YUXKCHYBPZIWSH-AEGPPILISA-N 285.790 4.581 30 10 CJEE C=CCOc1ccc(/C=C\C(=O)c2ccc(C)s2)cc1 917044008 OAHXJAHMMHMEAA-YFHOEESVSA-N 284.380 4.517 30 10 CJEE Fc1ccccc1C=NNc1cc(Cl)ccc1Cl 1083949297 CGAXOTNRTMVRQM-UHFFFAOYSA-N 283.133 4.579 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@@H](C)C1CCCCC1)c1ccccc1 1128698472 HFWOCANISCWTGO-DLBZAZTESA-N 299.458 4.774 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(C(C)(C)CC)cc2)cc1 1134709081 XRQLLGYMPUCVEY-UHFFFAOYSA-N 291.394 4.608 30 10 CJEE C=C[C@@H](C(=O)N[C@@H](CCC)c1ccccc1)c1ccccc1 1136050985 NNQGQLGJWUYNSB-MOPGFXCFSA-N 293.410 4.614 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@@H](OC(C)C)c1ccccc1 1176771196 HPVOJRRBXCQUKP-RTBURBONSA-N 287.447 4.583 30 10 CJEE C=CCO[C@H]1CCN(Cc2ccc(C3CCCCC3)cc2)C1 1192490323 OQMFZYJSWUOCEL-FQEVSTJZSA-N 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2227267916 KTRXGHKLOSIDRA-SLTAFYQDSA-N 271.395 4.666 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1[C@H]2CCCC[C@H]21 2227267977 LIXOZVUCRVNRTH-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C(C)(C)C1(F)F 2227284457 BQCBEUSKXNMMKD-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE CCCCCCCCCCCO[C@@H]1CNCC[C@@H]1C 2231076029 JBVRZWDQJYRFGR-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCO[C@@H](C)[C@@H](CC)NC 2231081663 XMMGZAHBBPYAHW-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CC#CCCCC[C@@H](N)c1ccc(C2CCC2)cc1 2231691013 XPYNVWYTTCALMF-GOSISDBHSA-N 255.405 4.538 30 10 CJEE C=C1CCC(C[C@H](NC)C2C[C@H]3CCC[C@H](C2)C3)CC1 2233643489 XKPRBEFBEUEGQA-LNLFQRSKSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCO[C@@](C)(C(=O)O)C(C)(C)C 2234032675 BTUPFAXKICHHRS-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)c1sc(C)cc1C 2234205380 YBATXCZDGFGKQX-HZPDHXFCSA-N 297.508 4.866 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ccccc1N 2235518163 DHJAMYXDXCMFCE-SFHVURJKSA-N 274.452 4.836 30 10 CJEE C=CCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCCC 2235533133 RFWZVBIWXHKNCS-SJORKVTESA-N 281.484 4.696 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1cc(N)ccc1C#N 2237602569 KKOHGBRYMAEYPB-KRWDZBQOSA-N 274.408 4.514 30 10 CJEE N#Cc1c(F)cccc1OCCCCCCCC1CC1 2239426870 RJTPFWNBEMGNHP-UHFFFAOYSA-N 275.367 4.827 30 10 CJEE CCCCCCCCCOc1cc(OC)c(C)cc1N 2239456678 OIZOFQIWHUGYKR-UHFFFAOYSA-N 279.424 4.715 30 10 CJEE CCCCCCCCCCO[C@H](C)CNCC(F)(F)F 2239492210 IGXZOHVYUYJXIH-CQSZACIVSA-N 297.405 4.684 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@](C)(F)CC[C@H]1O 2239496975 DDKBFXBHBPUONY-BRWVUGGUSA-N 288.447 4.785 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CC)(C(=O)O)C1CCCC1 2239499260 AJOCQXWTLLDOMY-NVXWUHKLSA-N 282.424 4.562 30 10 CJEE CCCCCCCCCCO[C@](C)(C(=O)O)C1CCC1 2239503779 RVUSPJHZBNKJSE-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCC[C@H](C)Oc1ccc(Cl)cc1CN[C@@H](C)CC 2240238546 GRCGCRPEDYWRDG-KBPBESRZSA-N 295.854 4.962 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCC[C@H]1C(C)C 2240555209 DMSQXFANJJUCMM-ROUUACIJSA-N 282.516 4.575 30 10 CJEE CN(CCCCCCCS)Cc1cc(Cl)cs1 2252651520 ONICFVUKCYDHGG-UHFFFAOYSA-N 291.913 4.714 30 10 CJEE N#Cc1cc(F)c(SC[C@H]2CC23CCC3)cc1Cl 2254067254 JCOSNIKUWUHXBB-SNVBAGLBSA-N 281.783 4.633 30 10 CJEE CN(CCCCCCCS)C1CC2(CCCC2)C1 2263206081 DSAMUYIVVJZFHI-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CCC1(CC)CCCN(CCCCCCCS)C1 2263208550 FYVNJIVVFSGWRS-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1sc(Cl)cc1OC 2263753626 YRRWTQJOPUBARO-WDEREUQCSA-N 287.856 4.663 30 10 CJEE C=CCCCCC[S@](=N)(=O)C[C@@H](CC)CCCC 2263802822 ANJNAPHXFOTTGR-YJBOKZPZSA-N 273.486 4.996 30 10 CJEE CCCCCCC[C@](C)(O)c1ncc(C(C)(F)F)s1 2264559269 STHLZKVIYABUFG-ZDUSSCGKSA-N 291.407 4.823 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)CC1CCCCC1 2268743245 QPUMBZMNTWJMSR-GOSISDBHSA-N 261.453 4.670 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(F)cc1C 2269687264 JOADJLJTULHUAP-HNNXBMFYSA-N 263.400 4.921 30 10 CJEE N#CC1(C[C@H]2CCC[C@@H]2C(F)F)C[C@@H]2CC[C@H](C1)S2 2270121875 DJRJBNCOQIFJAN-NFXCRTCFSA-N 285.403 4.626 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1NC 2271495596 OJVWTVKMXNUPIH-HRCADAONSA-N 283.525 4.879 30 10 CJEE C=CCCCS[C@@H](C)[C@@H](NCC)c1ccc(C)cc1 2271496784 AQUYSJDFKMIJJL-DOTOQJQBSA-N 277.477 4.734 30 10 CJEE C=C(C)CCCCN1CC(F)(F)C[C@@H]2CCCC[C@H]21 2271832546 BXCSOUWVZCUSQB-LSDHHAIUSA-N 271.395 4.633 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)CCCCOC 2271934544 HCAXVFMXRJIGDG-IBGZPJMESA-N 291.501 4.600 30 10 CJEE CC(C)(C)c1cccc(CC2(C=O)CCCCC2)c1 2274504501 QCKPRKBQDRNJLA-UHFFFAOYSA-N 258.405 4.676 30 10 CJEE CCCCCCCCC[C@@](C)(CCC)OCC(=O)O 2274753202 AEKFERMORFTTTK-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE C=CCC[C@](C)(CCCCCCCC)OCC(=O)O 2275405019 TZBGQSRZCPTVTG-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC[C@H]1C 2276655254 YUWHNDGSDQAEKN-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@H](CC)C1 2276760639 CXAYKVCNDNHRLF-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C=CCC[C@H](C)NCc1c(C)c(C)c(C)c(C)c1C 2277434562 YBPZTXOUONYULV-LBPRGKRZSA-N 259.437 4.673 30 10 CJEE CCC#CC[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2277677515 JKEPVOAQPUPBSL-LLVKDONJSA-N 289.366 4.611 30 10 CJEE N#Cc1ccc(C(F)(F)F)nc1SCC1=CCCCC1 2281257078 YYIHHJRORKNUTC-UHFFFAOYSA-N 298.333 4.565 30 10 CJEE CCCCCC[C@@H](C#Cc1ccccc1F)NCCC 2281378914 SAMUULIZEDAEQX-KRWDZBQOSA-N 275.411 4.516 30 10 CJEE CCSc1ccc([C@H](O)CC=CC#CC(C)(C)C)cc1 2284088821 MGUSPZDOTSHTOY-QGZVFWFLSA-N 288.456 4.828 30 10 CJEE CC[C@](N)(CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2284092264 XVZWOKMQELPJFC-SFHVURJKSA-N 289.850 4.900 30 10 CJEE CC(C)=C1CC[C@@H](C)C[C@@]1(N)CC=CC#CC(C)(C)C 2284101580 UMMVGTNFIHEVTN-APWZRJJASA-N 273.464 4.836 30 10 CJEE C=CCCCCCCCSCc1cccnc1C(=O)O 2287076369 IOHGAGZQFCRKHJ-UHFFFAOYSA-N 293.432 4.540 30 10 CJEE C=CCCCCCCCSc1cccc(OC)c1CO 2287188881 HGZRZQVIYMKJQP-UHFFFAOYSA-N 294.460 4.806 30 10 CJEE C=CCCCCCCCC(=O)c1cnc(OC)c(Cl)c1 2287247023 VQKLJXQNDBSUEG-UHFFFAOYSA-N 295.810 4.843 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)[C@H](CC)CCC 2287682575 PDQNDVRWZAIHKX-FGTMMUONSA-N 283.500 4.678 30 10 CJEE C=C[C@H](C)CCN(C)CC1(c2ccccc2)CCCC1 2288898824 ZGGOPAOUXJFARM-KRWDZBQOSA-N 271.448 4.642 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H]1CCCC12CCC2 2289712251 LSBHSVCALFQFAA-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1(CC)CCCC1 2289858607 CVQFZUCVBKJEGT-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C1(C)CCCC1 2290609418 QUGOQNWJBRFSRB-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1CCC[C@@H]1C 2290610619 BOGWCMGODRSBJF-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H](C)CC(C)C 2291867640 VVLWEAGFDCZTRJ-HOTGVXAUSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCC1(OCCN)CC(C(C)(C)C)C1 2292792728 NSLWKFKINBLJIP-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(CCC(F)(F)CC)OCCN 2293339047 KWKQFEWWLNSDNR-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1C=CCCC1 2293408421 REHPJYXLFBTHBW-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCOc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2294300133 VYSDLAVOCCZJPL-UHFFFAOYSA-N 286.758 4.635 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C1CC(CC)C1 2294516690 ZGIXDEUIZPAHHZ-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1ccc2sccc2c1 2295155456 QMKKOCKTIMBPIU-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCN[C@@H](CC#Cc1ccccc1Cl)CC1CCCC1 2295203510 WECRGTJAXRYDNI-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)C1(CC)CCC1 2295228203 BWSYDTNMJAMPTO-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](c2cscn2)CO1 2295535859 HRRPSALLKJVHMW-HOCLYGCPSA-N 296.480 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C1(C)CCC1 2295536374 MYOJJBXSESFIQQ-SFHVURJKSA-N 282.516 4.719 30 10 CJEE C=CCC[C@@H](NCC)[C@@](C)(O)CCCCCCCCC 2295680248 XHJQEXNMIVJLKX-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCS[C@@H]1CC[C@](C#N)(NCCC)[C@@H]1CC 2295764589 UWQWNXOGXXEVMU-BRWVUGGUSA-N 296.524 4.750 30 10 CJEE C=CCC(CC=C)[C@H](O)c1c(Cl)cccc1Cl 2301037456 PQDWEAMWGRORMQ-AWEZNQCLSA-N 271.187 4.795 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(CC)c1 2304039064 STXKRTHITHAQGZ-SWLSCSKDSA-N 251.439 4.563 30 10 CJEE CC(C)=CCC[C@@H](C)OC[C@@H](CS)CC(C)C 2308058469 WCMNZOOKZGJXET-CABCVRRESA-N 258.471 4.730 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CC[C@@H]2C[C@H]12 2312621224 YYRCSDHYYWBSPH-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCC[C@@H]1F 2313500997 CRBCODLUTGNRAP-OWCLPIDISA-N 257.437 4.996 30 10 CJEE C=CCC(CC=C)Sc1cc(C)sc1CNCC 2313694941 JFUHTLWEUIZPFX-UHFFFAOYSA-N 281.490 4.779 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CCC1(F)F 2313774021 BIFBKEINIPNPRJ-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=CCCCCCCCCNCC(C)(C)C(F)F 2315051474 UCLMDBJLOOVQAN-UHFFFAOYSA-N 261.400 4.784 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1nc(Cl)cs1 2316706343 ODKZVZIWAUWXBU-CYBMUJFWSA-N 284.856 4.606 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@H]1C1CC1 2319582648 WZCZFGZRBGXORF-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(F)c(Cl)c(F)c1 2321118628 ULOOYJMAIIFCAU-ZIAGYGMSSA-N 273.754 4.610 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(C)sc(C)c1C 2321132165 XBBYBQVFFKNIJG-JKSUJKDBSA-N 265.466 4.926 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)c(C)cc1F 2321235860 ZMBBQYWEYNZVLR-LSDHHAIUSA-N 270.775 4.813 30 10 CJEE CCC[C@@H](CC)COCc1ccc(C#N)cc1Cl 2328151062 BAVWIIPHTWBZJC-GFCCVEGCSA-N 265.784 4.555 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333365574 POOKSKIQCTWQDW-ATIWLJMLSA-N 261.453 4.537 30 10 CJEE CCN[C@H](C#Cc1cccs1)C[C@@H](CC)C(C)(C)C 2338251626 CBXZVIJHFZSWHB-HUUCEWRRSA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@@H]1CC(C)(C)CC[C@H]1CNCC 2338725524 RQNONNVESUPGBE-IRXDYDNUSA-N 263.469 4.807 30 10 CJEE CCCCCCCCC1(OCCCN)[C@H](C)C[C@H]1C 2338768760 AWHVISIWTJSIAZ-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE C[C@@H]1C[C@@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCS1 2338905062 XVAVYPQYBUCNES-JSRQGNBESA-N 280.477 4.694 30 10 CJEE C=C(C)[C@@H](NCC)[C@@H](c1ccccc1)C1CCCC1 2342365681 RDZJCMWEOSSLJC-ZWKOTPCHSA-N 257.421 4.515 30 10 CJEE O=CC1(CC[C@H]2CC[C@H]2C2CC2)CCC(F)(F)CC1 2342384638 FEFFQYPBYMVYTG-KGLIPLIRSA-N 270.363 4.597 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cccc(C2CCC2)c1 2343776595 VONRYGVTIVQCEI-QGZVFWFLSA-N 261.384 4.868 30 10 CJEE CCCCC#CCC(=O)c1cccc(C2CCC2)c1 2343781680 LXZXIJZLSBXXPC-UHFFFAOYSA-N 254.373 4.721 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC12CCC(CC1)CC2)NC 2344343410 DJCSFYZCYGBJMU-JDEYZFBPSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](N)CC1CC2(C1)CC1(CCC1)C2 2344375363 MYMUHSIDKAUABO-HNNXBMFYSA-N 261.453 4.667 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cnc(C(C)(C)C)s1 2344385317 OSBNZDQARGTAIN-BBRMVZONSA-N 280.481 4.694 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cc(Cl)ccc1C#N 2352091687 ONKMUQUZWIEEJE-HNNXBMFYSA-N 297.851 4.573 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cccc(SC(C)C)c1 2352910185 YVYLVLXTBQSJEZ-IRXDYDNUSA-N 275.461 4.804 30 10 CJEE CSc1cc(SC2CCC(F)(F)CC2)ccc1C#N 2353848879 LLFCCYJVLBVPGU-UHFFFAOYSA-N 299.411 4.950 30 10 CJEE C=C(C)CCCC[C@@H](NN)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359654929 UJKOMKYCSVUCKR-XLAORIBOSA-N 278.484 4.561 30 10 CJEE CCOc1ccc(/C=N/c2ccc(N(CC)CC)cc2)cc1 575313 FUCUBUNGYWIHOQ-HMMYKYKNSA-N 296.414 4.682 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)c(C#N)c2)o1 36972999 LATYZJWXWJMOLT-YGRLFVJLSA-N 286.762 4.540 30 10 CJEE CCCC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 37212129 IOVPROOCFBJXJY-SFHVURJKSA-N 264.372 4.902 30 10 CJEE COc1ccccc1/C=N/c1ccc2c3c(cccc13)CC2 39377030 DMCDTMHRSWEDGL-FYJGNVAPSA-N 287.362 4.698 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C#N)cc(F)c2C)s1 41204507 QVMJURDJGKTCAJ-LLVKDONJSA-N 288.391 4.803 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ccccc1Cl 44268923 PLAGIXZNBHOEOL-OCCSQVGLSA-N 277.795 4.733 30 10 CJEE CCCCCCCCCOc1cc(F)ccc1N 59088149 VAFFTXCSLILOPV-UHFFFAOYSA-N 253.361 4.537 30 10 CJEE CCCCCCCNCc1ccc(CC(C)C)cc1 81199154 DTCCMGNLUQFTDT-UHFFFAOYSA-N 261.453 4.945 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(C)ccc2OC)C1 87972920 CUNSWGMJTMIINF-CRAIPNDOSA-N 271.404 4.656 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CCC(=O)O 88379097 YEWKIKQUPHBRTN-KRWDZBQOSA-N 297.483 4.846 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 91884078 YSNIVOAJPGQNEP-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C[C@H](CCS)CCN(C)[C@@H](C)c1ccccc1Cl 94579706 IHKCKTJIKNYFMR-STQMWFEESA-N 285.884 4.679 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccc(F)cc1 94580505 NDDANMFTIBMVOD-UHFFFAOYSA-N 283.456 4.778 30 10 CJEE CC(C)(C)c1cccc(OCCCCCCS)c1 94584377 ZMADINITPYDDKX-UHFFFAOYSA-N 266.450 4.853 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1CCCc2sccc21 97284264 SEEHCLVHWWSHSB-ZFWWWQNUSA-N 263.450 4.502 30 10 CJEE C=CCc1cc(C=O)ccc1OCCCCCCC 100132383 RSRUUELQUFMYPN-UHFFFAOYSA-N 260.377 4.577 30 10 CJEE CSc1ccc(Nc2ccc(C#N)cc2Cl)cc1 104005471 YQABZSKUVCPHGQ-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCCCCCCCN[C@H](C)Cn1ccnc1 110166439 UJTYTDZWGCLDFY-GOSISDBHSA-N 293.499 4.782 30 10 CJEE CCCCCCC[C@H](N)c1ccc2c(c1)CC(C)(C)O2 110234036 ZWKHQWOZUDYSID-INIZCTEOSA-N 275.436 4.760 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccccc1F 112887898 WVCWBIRKXSFRGN-MRXNPFEDSA-N 252.373 5.000 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCC)C1(CC)CC 117341642 ZFWKHTSFPDJZQJ-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@](C)(CC)N(C)C 118152042 WKAVKDKXXVEUKM-DLBZAZTESA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc2c(s1)CCC2 122215874 KFQOYFWIIKIJSZ-OAHLLOKOSA-N 294.508 4.882 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CSCCS1 125187196 KJVJZHRLYSYIOG-LSDHHAIUSA-N 289.554 4.564 30 10 CJEE COc1ccc(C#N)c(Oc2cc(C)c(Cl)c(C)c2)c1 130510212 QWTLQYOEWLUPLC-UHFFFAOYSA-N 287.746 4.629 30 10 CJEE CC[C@H](C)n1ccc(CC2(C#N)CCCCCCC2)n1 156744917 PACGNUQAJFSUFR-HNNXBMFYSA-N 273.424 4.651 30 10 CJEE CCCCCCCC[C@@H](N)CCc1ccc(OC)cc1 159040446 BNTZTXHOFGGTEK-QGZVFWFLSA-N 277.452 4.706 30 10 CJEE CCCCCCCCC(=O)C1(OC)CCCCC1 159843699 PCVXECXKRPSEPL-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CCOc2ccccc21 162157824 HQBAOZMPFSTDGV-HOTGVXAUSA-N 276.420 4.664 30 10 CJEE CCCCCCCC[C@H](NCC)[C@](C)(CC)OCC 163976419 FLWBZWKAILMWAS-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1 196737566 SIAMPSFHOFEZKE-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 212313377 SCGGOYHLQVZJLP-BZSNNMDCSA-N 265.485 4.887 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC2CCCC2)C1 219661478 GTJHTHQTCBOCOZ-YUELXQCFSA-N 251.439 4.628 30 10 CJEE Cc1cccc(C#N)c1Sc1ccccc1Cl 221494853 WXCIHAMCCAQDOL-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)C[C@H](C)O 228105477 RJHVMDHRBMJSEE-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](CC(C)C)C1 230771199 OWVSKOHGPKAZSN-DOTOQJQBSA-N 270.420 4.884 30 10 CJEE CC(C)C(C)(C)CNc1ccc(C(F)(F)F)cc1C#N 232805596 PFEXIAOUQWQTQQ-UHFFFAOYSA-N 284.325 4.671 30 10 CJEE CCCCCCCCNC[C@H]1CC(C)=C[C@@H](C)C1 232926680 ABBMWDNVJSWDIB-NVXWUHKLSA-N 251.458 4.929 30 10 CJEE Cc1cccc(N[C@](C)(C#N)Cc2ccc(Cl)cc2)c1 235926978 ACFLBJHKYTULKZ-KRWDZBQOSA-N 284.790 4.585 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@]1(C)C1CC1 250828716 PELQLOMSRMUCDI-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1cccc(C#N)c1 252424125 FCPCOOUJIHGODD-QGTPRVQTSA-N 284.447 4.814 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCCC[C@H]2CC)C1 252864781 QDEJNAUQPCKODR-BRSBDYLESA-N 276.468 4.750 30 10 CJEE Cc1c(N=Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 254348535 LAXLOFPUAUDNSS-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE COc1c(C(C)C)ccc(C(C)C)c1[C@@H](C)CC=O 258580518 YNHJKESCWBIYIF-ZDUSSCGKSA-N 262.393 4.635 30 10 CJEE C[C@@H](CC#N)c1cccc2ccn(C3CCCC3)c12 259926358 DPTFWIUTVNMTQI-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CCCC[C@@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 302447918 UXTPTCAHLMRJDA-PWSUYJOCSA-N 298.213 4.996 30 10 CJEE CC(C)(C)CC[C@@](C)(C#N)Nc1ccc(Cl)cc1 305995492 FWLOGRPAZXJBBO-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE CCCCCCCCCCNCCOCc1ccccc1 309786121 GJZFJQDXJGGSSG-UHFFFAOYSA-N 291.479 4.934 30 10 CJEE N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2C#N)c1 311588630 FZKBBEWENYUHHS-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE CCCCCCC[C@@H](CCCCC1CCOCC1)NC 312214669 SIHFLVVFGPGYEQ-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CCCC12CCCCC2 312981053 BGFYXMPWDCIHGA-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE O=CC1(Cc2ccc(Br)o2)CCCCCCC1 316730277 FNSMWCUCQZDLRW-UHFFFAOYSA-N 299.208 4.514 30 10 CJEE O=CC1(Cc2c(F)cccc2Cl)CCCCCCC1 316967180 IDRPMNNGKUPTBI-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC3(CCCC3)O2)C1 317290098 KLPVCENQZQSLHE-IXDOHACOSA-N 278.436 4.654 30 10 CJEE C=CCCCC1(CNCCOC)CCC(CCC)CC1 318703216 NARFGUCJTNVSSM-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE CC(C)NCC1(CC#CC(C)(C)C)CCCCCC1 318986533 ABUKBPHCPTYPHC-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCCC1(F)F)NN 381984256 WVMCCEHCKCYELD-LSDHHAIUSA-N 290.442 4.785 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C1(O)CCC2(CCCC2)CC1 385146522 JHYFGWIXGUKHAM-WBVHZDCISA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@H]1CC[C@](C)(CNC(C)(C)C)O1 389087376 FUZJGVYHBWLUQP-DOTOQJQBSA-N 269.473 4.673 30 10 CJEE CCCCCCCCCCNC(=O)NC(C)(C)CC 396059367 OEQJQYFPMNWFGP-UHFFFAOYSA-N 270.461 4.615 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](NCC)C1 396547807 RIRVCHLUGHFZCL-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@H](C)NCCSC(C)(C)C 397341143 DNLXPQSQMYRREC-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 398084031 TWEJXWGABJIAPM-SOUVJXGZSA-N 273.420 4.583 30 10 CJEE N#CCc1cc(Cl)ncc1-c1ccc(Cl)cc1Cl 514262885 XRNHDRDWJLFNHE-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@H](O)[C@@H](c1ccccc1)[C@H](C)CC 686685666 LEKONOXABVIJRE-NZSAHSFTSA-N 272.432 4.761 30 10 CJEE CCC1(CC)CCCN(CCCCC(C)(C)C#N)C1 690548006 IORMGNDSQXBYBP-UHFFFAOYSA-N 264.457 4.609 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CC1(F)F)NC 691643547 OXOBBVWITIPDCM-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CC2CCC1CC2 691772126 LLZHEXQMDSDCGA-BHUNQDJPSA-N 252.442 4.924 30 10 CJEE CC1CC(CN(C)CCCCCCCCCS)C1 691975896 UVLUFIRQESZXLE-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCCC[C@H](CC1(CSC)CC1)NC 696021294 FCIAYAKKSHHCQY-OAHLLOKOSA-N 271.514 4.858 30 10 CJEE C=CCCC(C)(C)CNC1CC(c2cccc(C)c2)C1 703996257 SGKDCUIXCOUOMX-UHFFFAOYSA-N 271.448 4.823 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1cccc2sccc12 705024345 QWOGYEPBMBXFJL-NSHDSACASA-N 259.374 4.608 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC23CCCCC3)C1 707345634 GCRCQXMSNSJNDA-IXDOHACOSA-N 274.452 4.504 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1Cl 709153056 VWEKFBPQQYNDFI-ZFWWWQNUSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C2CC2)cc1 709322093 CLYNLSDNSWCEEP-RTBURBONSA-N 269.432 4.789 30 10 CJEE C=C(C)C[C@@H](NCCC)c1csc(C(F)(F)F)c1 718707620 DWTJWTFSBCIDPB-LLVKDONJSA-N 277.355 4.774 30 10 CJEE CC[C@@](O)(CC1CCCCC1)C1(C#N)CCCCCC1 720399990 PJGLUXHSBUIRLO-GOSISDBHSA-N 277.452 4.962 30 10 CJEE CCCCCCCCCc1nc(C(C)(C)C(=O)O)cs1 720997914 HIRRGLIGRWTFGX-UHFFFAOYSA-N 297.464 4.798 30 10 CJEE CCCC1CCC(C=O)(CC2CC(C)(C)C2)CC1 723594230 YBKANQMXLATDEV-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1C[C@H](C)O[C@H](C)C1 724500697 YMFUOYUZSWJFMK-YYIAUSFCSA-N 269.473 4.658 30 10 CJEE C=C1CCC(CNc2ccc(OC)c(Cl)c2)CC1 724543060 VSLJQVLOEQDQOQ-UHFFFAOYSA-N 265.784 4.507 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(F)cc2F)CC1 724566796 PTJFJHNOMQBDGY-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE C=C1CCC(C[C@H](C(=O)O)C2CCCCCC2)CC1 724585534 GEWOXJBPNYUJGZ-INIZCTEOSA-N 264.409 4.794 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2CCC(F)(F)CC2)CC1 724605252 IYWMVHAYFGLLHA-MRXNPFEDSA-N 285.422 4.927 30 10 CJEE C1CCCC(/N=C2/N[C@@H](C3CCCCC3)CCS2)CC1 725103673 GIDMJFSRWPFGAZ-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@@H](C2CCCCC2)CCS1 725109308 UCSPYSCWENIXMM-GOEBONIOSA-N 296.524 4.987 30 10 CJEE C=CCC1(C(=O)Nc2cccc3ccsc23)CCCC1 1127436557 UAKIGZGEOVAHKW-UHFFFAOYSA-N 285.412 4.976 30 10 CJEE C=CCCCCN1CCc2c(Cl)cc(Cl)cc2C1 1168191744 FLESDBSCZBSDDU-UHFFFAOYSA-N 284.230 4.708 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCO[C@@H](C(C)C)C1 1205882163 JJSNDZUCSFTYJW-RCCFBDPRSA-N 281.484 4.552 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(CC)c(Cl)c1 1217553186 UZRXJHXXCHQCGK-LBPRGKRZSA-N 294.826 4.769 30 10 CJEE C=CCN(C(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 1264357516 RANZBHCHKUQQGD-RAXLEYEMSA-N 297.785 4.572 30 10 CJEE C[C@H]1CCN([C@@H](C#N)c2ccccc2)CC12CCCCC2 1307703895 BURMAJHCOCNXDQ-WMZOPIPTSA-N 282.431 4.544 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(Cl)c1 1352874259 IHZUWOKKBRYXLP-SECBINFHSA-N 272.175 4.534 30 10 CJEE C=CCC1(C(=O)N2CC(CC)(CC)c3ccccc32)CCC1 1435631535 UUGNANYXXDOFNK-UHFFFAOYSA-N 297.442 4.837 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCc2cccc(C(C)C)c21 1436810734 DVQYUGBHTJJXPS-HNNXBMFYSA-N 285.431 4.692 30 10 CJEE C=C[C@](C)(CC)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1459682211 OVJXREOJBNTYEZ-DNVCBOLYSA-N 285.431 4.765 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc2ccn(C(F)F)c2c1 1469906986 KMFFVWTXEGFMCZ-UHFFFAOYSA-N 292.329 4.577 30 10 CJEE CC(=O)c1cccc(C#N)c1OCCC1CCCCCC1 1473078724 JZTNCOSXMFRHEV-UHFFFAOYSA-N 285.387 4.500 30 10 CJEE C=CCC[C@H](CCC)NCCC1CCC(F)(F)CC1 1474745214 FBOWEEHTWOCVSK-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccccc1F)C1CCCC1 1523040381 NDTHGJKGYIHGOA-AWEZNQCLSA-N 289.394 4.704 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc(F)c(CC)c1)c1ccccc1 1525503688 KEUJZYZKMUFBFU-AWEZNQCLSA-N 297.373 4.687 30 10 CJEE C=C1CCC(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 1528579264 ODYCQZCDONSNSN-GOSISDBHSA-N 297.442 4.662 30 10 CJEE C=C(C)COc1cccc(NC(=O)CC2CCCCC2)c1 1529832609 IUHQMHUXBGJSCG-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCN(CC=C)C(=O)C1(C2CCCCC2)CCCCC1 1532540898 ZZLCBMSAVYETDB-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1c(C)ccc2cc(C)ccc12 1540091635 ZQIYMLBCAADRDT-MRXNPFEDSA-N 281.399 4.541 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 1544962874 GMQQCYJDBFPHFV-CYBMUJFWSA-N 299.389 4.758 30 10 CJEE C=C(CC)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1560885899 QDGKLUVJFKNWNN-GDBMZVCRSA-N 263.812 4.532 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](C)c1ccccc1C)c1ccccc1 1587282779 JEXRVINZRODBRM-MAUKXSAKSA-N 280.367 4.569 30 10 CJEE C=CCC1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCCC1 1595663708 VYOXVPDUAHRVBD-UHFFFAOYSA-N 282.387 4.551 30 10 CJEE C#CCCCCCCN[C@H]1CCCCC12CCCC2 1618114341 NJWIHBJVCSVWNO-KRWDZBQOSA-N 261.453 4.663 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc([C@@H](C)CC)cc1 1618326109 XAZWAHBZPIONPY-MAUKXSAKSA-N 285.431 4.771 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CCCCC1 1623985673 XLTHCFCRXLHXIE-IAGOWNOFSA-N 291.479 4.652 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCc1ccc(Cl)cc1 1643802342 DCIYFLBCVVHRFR-AEFFLSMTSA-N 291.866 4.997 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(C)ccc2ccccc12 1647829128 UULCFDOCVCEUOP-HDICACEKSA-N 277.411 4.831 30 10 CJEE C=CCC[C@@H](NCc1cnc(CC)s1)c1ccccc1 1650808126 WIMWFVVOOSWODH-MRXNPFEDSA-N 286.444 4.503 30 10 CJEE CCCCCCCCN1CC[C@](C)(C(F)(F)F)C1 1654714804 CIAAHGKBXUSJBV-ZDUSSCGKSA-N 265.363 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(OC)ccc1Cl 1655044676 KFIBLQBVIUHUTM-DYVFJYSZSA-N 293.838 4.573 30 10 CJEE C=CCCCN1CCCCC[C@H]1c1ccc(CC)o1 1657368227 BVVKMUDFEJCOIL-INIZCTEOSA-N 261.409 4.725 30 10 CJEE C=CCC1(NCc2ccc(OC)cc2Cl)CCCCC1 1657962361 DISJFMDMOFGRGG-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=CCCCC[C@H](C)Nc1cnn(C)c1-c1ccccc1 1659752230 IJGHSIDBYZYQCG-HNNXBMFYSA-N 283.419 4.634 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(OC)c(C)c(OC)c1 1664863275 WDZDLAGZZJYUQO-CQSZACIVSA-N 277.408 4.559 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CCCN[C@H](CC#CC1CCCC1)[C@H]1CC12CCCC2 2289860725 XZWRQZFSQNGGBG-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21 2289863051 BRBZCYYUMULXGL-NCXUSEDFSA-N 273.464 4.504 30 10 CJEE CC(C)(C)C1CC([C@H](O)[C@]2(C#N)CCCCC2(C)C)C1 2289939467 ODCRRIYBVRBIII-ZUBZBLCWSA-N 277.452 4.530 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)C1CCCC1 2290608422 JBSDZLVVOUQNDE-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCCCC12CC2 2290876287 DAEJGICAQXGZAK-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=CCCCCCCC[C@]1(OCC(=O)O)CCC[C@H]1C 2291812026 VAVRSDXQTUUUMV-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](C)(CCCC)OCCC(=O)O 2292428224 OGNGYHIPQFTKEE-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCN)c1cccs1 2292642769 BYTXUJRIECDZQH-QGZVFWFLSA-N 295.492 4.855 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@@H]1C1CC1 2293413223 JSJDVOAEIJOVTI-MSOLQXFVSA-N 281.484 4.661 30 10 CJEE C=C([C@H](OCCCN)c1cc(C)cc(Cl)c1)C(C)(C)C 2293923956 HLRASIWTHIOWAZ-INIZCTEOSA-N 295.854 4.657 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCN)C=CCCC1 2293994163 KAZMTCSTGODAOR-GOSISDBHSA-N 279.468 4.747 30 10 CJEE C=CC1(CC2(OCCN)CCCCCCCC2)CCC1 2294634573 XBWPYPQUBBSGTK-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@](C)(C(F)(F)F)O1 2295536316 MQHIRPRREPVVBZ-KGLIPLIRSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@](C)(OC[C@@H]1C[C@H]1C)C(=O)O 2295588321 GCKBGRRVSVMDFF-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](CO)C1CCC1 2295668301 GVIUKJXPJFWVIT-AEFFLSMTSA-N 283.500 4.514 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@](C)(O)C(C)(C)C 2295674232 PBHKXKKENHIHED-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCS[C@@H]1CC[C@H](C)[C@](C#N)(NC2CC2)C1 2295761867 RICPBVFIFIIUEB-UAGQMJEPSA-N 294.508 4.503 30 10 CJEE CC(=CC(=O)c1c(C)cc(C)cc1C)c1ccccc1 2295861651 ZFZUVMGXXAKCIV-UHFFFAOYSA-N 264.368 4.898 30 10 CJEE C=CC[C@H](C)Sc1ccsc1CN[C@H](C)CC 2298930205 JCTAUPJKTOIMRN-NEPJUHHUSA-N 269.479 4.693 30 10 CJEE C=C[C@@H](C)C[C@@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2311556016 VGKWNNTUVANEPZ-DZUCGIPZSA-N 250.426 4.556 30 10 CJEE C[C@H](CC1CC1)C1(C=O)CC(C)(C)CC(C)(C)C1 2313672855 MSPCPGRHPKOJCS-CYBMUJFWSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)[C@H](CCCC(F)(F)F)NCCC 2321102927 VFMSLWKQYOMAAU-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCC1CC1)NCC 2321132116 WTQPQKUFXJOVGZ-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC(C)(C)C(F)(F)F)NC 2321148029 MHFWMFYRNJTIDJ-AAEUAGOBSA-N 265.363 4.545 30 10 CJEE C#Cc1ncccc1N[C@@H](C)c1cc(Cl)sc1Cl 2322515421 PMNSWBBTWIWGHJ-QMMMGPOBSA-N 297.210 4.604 30 10 CJEE CSc1cc(NCc2cscc2Cl)ccc1C#N 2328518850 KQIIPRDGSOLIIC-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=CCCCCCCC[C@@]1(N)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2333706822 YGNTXRYOBASZNR-DISONHOPSA-N 261.453 4.667 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(F)(F)F 2334657587 CSOMQWATZTUCSH-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE C=CCC(CC=C)NCc1ccc(C(C)(C)C)cc1 2335114764 ZFGGJFDFQVJECY-UHFFFAOYSA-N 257.421 4.595 30 10 CJEE C=CC[C@@H](C)Sc1c(CNC(C)C)ccc(F)c1F 2335237441 FQVYQIGSLWDJLB-LLVKDONJSA-N 285.403 4.520 30 10 CJEE C[C@@H](CCS)CCOc1ccc(CC(F)(F)F)cc1 2336813310 OYBHEVBOEIDGOE-LLVKDONJSA-N 292.366 4.516 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC1CCC(C(C)C)CC1 2337110900 GGMKHOVHARRRHQ-HIEASXQVSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1CCCCC12CC2 2338724958 MGKPTAURZURBCN-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C#Cc1ccc2c(ccn2CC2CCCCCC2)c1 2338898556 GCTZZMJFQIBGNY-UHFFFAOYSA-N 251.373 4.593 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339274669 JDMYZVDTMLRCLJ-YFHUEUNASA-N 260.421 4.764 30 10 CJEE CCCCCCCCCCOC[C@H](N)CC1CCC1 2340840787 CAUGYJJKXGRRCO-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C#CC(C)(C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341115085 UPOMAQMFAFEVRP-OAHLLOKOSA-N 298.257 4.564 30 10 CJEE C=C1C[C@@H]1C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341121787 KVJIMZXREXQIPC-CJNGLKHVSA-N 298.257 4.870 30 10 CJEE CC1=C(C)C[C@H](C[C@@](C)(C#N)c2ccccc2)CC1 2343383273 DRIFNANEOPVELQ-AEFFLSMTSA-N 253.389 4.994 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ncc(C(F)F)s1 2343577019 XJZKMXGHYYTXOL-JQWIXIFHSA-N 288.407 4.724 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1cccc(C(C)C)c1)NCC 2344344436 IRZDURSNHHXYAY-CRAIPNDOSA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCCC[C@H]1CC2)NC 2344373071 XODMQUMCVRCBHW-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344789304 LGYAIDUEERQJRS-QWHCGFSZSA-N 276.342 4.895 30 10 CJEE Cc1c(Cl)ccc([C@@]2(C)CCC[C@@H](CC#N)O2)c1Cl 2353223512 UTSWEBFOTADPBJ-XHDPSFHLSA-N 298.213 5.000 30 10 CJEE CSc1cc(NCC2(C)CC(C)(C)C2)ccc1C#N 2353824472 LZAUJARCDILCGQ-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1SCC(F)(F)F 2360231019 RWNXVYWDLAQFOG-RDBSUJKOSA-N 299.361 4.758 30 10 CJEE CCC(/C=C1\CCc2c([nH]c3ccccc23)C1=O)CC 6263715 BQGICMPTEAKWPW-ACCUITESSA-N 267.372 4.659 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(OC(C)C)cc2)c1 19876966 IAEBFQYHFDXZDD-OAHLLOKOSA-N 279.383 4.628 30 10 CJEE CCC1CCC(C#N)(Nc2ccc(Cl)cc2)CC1 37936111 CQONNOBQATWCLK-UHFFFAOYSA-N 262.784 4.614 30 10 CJEE CC(C)c1ccc(C(=O)[C@@H](C#N)c2ccccc2Cl)cc1 44268273 CJUMOMPFCNMVJF-INIZCTEOSA-N 297.785 4.953 30 10 CJEE CCc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)s1 51719762 WEFIVNSDVXVAOG-CYBMUJFWSA-N 276.792 4.641 30 10 CJEE COc1ccc(Cl)cc1C[C@H](C#N)c1cc(C)ccc1C 57762714 OLXDPFATRHPJQX-OAHLLOKOSA-N 299.801 4.815 30 10 CJEE CCCCCCCC(=O)CC(=O)c1cccc(Cl)c1 59095448 RSMVAIGOYGNVPY-UHFFFAOYSA-N 280.795 4.842 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c(C(=O)OC)c1 59451602 PYQPHGZGDCKHMO-CYBMUJFWSA-N 295.398 4.773 30 10 CJEE C=C(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 59514745 IHXKUGMCTFYDSJ-VHEBQXMUSA-N 265.316 4.617 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCc2sccc21 61329660 IFUFSQNCYJDVCQ-OAHLLOKOSA-N 288.803 4.569 30 10 CJEE CCCc1oc(-c2ccc(CC)cc2)cc1CC#N 77080764 LVYBJFKSCNKABA-UHFFFAOYSA-N 253.345 4.528 30 10 CJEE CC[C@H](C)Oc1cccc(-c2cc(C#N)c(C3CC3)o2)c1 77083525 QZAKPSQBJSTNTA-LBPRGKRZSA-N 281.355 4.873 30 10 CJEE CCOc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccco1 83192701 HYWKLVACVUMCGR-MDZDMXLPSA-N 298.382 4.872 30 10 CJEE C[C@@H](NCCCC(C)(C)C#N)C12CC3CC(CC(C3)C1)C2 87596952 RNKUTAFCJJKXJM-DGTBMVLOSA-N 288.479 4.511 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccc(F)cc2)CC1 87960147 YWFXQXAKXRJZRE-UHFFFAOYSA-N 259.368 4.724 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2c(Cl)c(C)nn2CC)C1 89306189 CJKOTZUFHSBHEI-XJKSGUPXSA-N 293.842 4.518 30 10 CJEE CCCCCCCCCCCCC1(O)CCC(N)CC1 91367154 OJTYDVNGFQANCY-UHFFFAOYSA-N 283.500 4.930 30 10 CJEE CC[C@H]1CCCC[C@H]1OCC(CC)(CC)CS 94583640 BTDLZHWUCBUEEA-UONOGXRCSA-N 258.471 4.708 30 10 CJEE C/C=C/c1ccccc1OC[C@H](CS)C(C)(C)C 94583893 IYZYRWIQHVPNTD-LHRNQBEKSA-N 264.434 4.691 30 10 CJEE CCCCCCCCO[C@@H](c1ccsc1)[C@@H](C)N 105551359 XRHSOFXJJVNSPL-UKRRQHHQSA-N 269.454 4.514 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2ncccc2c1 109013553 UQBPNJRCTNOUOB-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE C[C@H](CCc1ccccc1)Nc1ccc(Cl)cc1C#N 110257105 RMXPJFSNKQIDLB-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(Cl)cc2C)c1 110261173 WEDSAFOFQFLOKH-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCC1CCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@@H]2C#N)CC1 110263777 SJCBQHATKFQLIX-KZNAEPCWSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@@H](CSCC(C)C)NC 115645350 DZTFISSZIZNSBG-HNNXBMFYSA-N 259.503 4.714 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(N)c(C)c1 115854685 MMOMLBNBANBPAK-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccc(C)cc1)NN 125953996 XNBBDVNTRUUARL-LJQANCHMSA-N 290.495 4.900 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H](CC)OC 130837430 XBQISIRUKOTJDZ-SJORKVTESA-N 286.504 4.554 30 10 CJEE CCSc1cccc(N2CCC(CC)(CC)C2)c1C#N 136682895 KZQKXJJPMYVVOW-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(C)nnc1C 143426243 HYNWKOARMVGZGO-GOSISDBHSA-N 291.483 4.885 30 10 CJEE CCCCCCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F 158036936 QZEYJTPSOWVGAU-QMMMGPOBSA-N 295.295 4.742 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)cc2)CCCCCCC1 158970425 QNLSFRCXLUBAPW-HNNXBMFYSA-N 277.795 4.628 30 10 CJEE CCCCCCCCN[C@@H]1CCc2cc(F)ccc21 162574892 YHTVWSFIZFPPHF-QGZVFWFLSA-N 263.400 4.763 30 10 CJEE C=C(C)CC[C@H](CSc1ccccc1F)NCCC 164636812 UCVXYCVDSSECCW-CQSZACIVSA-N 281.440 4.642 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCO[C@H]1C1CC1 166221557 YURXEHLRCOHWJY-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H]1CCCNC1 168375493 CTVLEZLWODHEMC-QGZVFWFLSA-N 281.484 4.866 30 10 CJEE C=CC[C@@H](CCCCC)[Si](C)(C)c1ccccn1 196004316 IKTAGGQXNPVYJQ-HNNXBMFYSA-N 261.485 4.524 30 10 CJEE CCC[C@@H](C)c1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O 207691988 JOQXWYKVSKVHJY-GFCCVEGCSA-N 282.383 4.840 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1ccc(F)cc1 222553995 KUSYHZHPWSWBDI-XYPHTWIQSA-N 274.383 4.592 30 10 CJEE CC(C)(C)c1ccc(Nc2cc(F)cc(C#N)c2)cc1 227604447 UDGVQTNHKNADEQ-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE CCCCCCCCOc1cnc2ccccc2c1 230223134 XRKUVEVDMLCDAV-UHFFFAOYSA-N 257.377 4.974 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 230773877 YREGBXIEWKDLKW-DZGCQCFKSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@@H](CCOCC(F)(F)F)NC 232085590 OATOCSQUPORGCO-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CCC(=CC(=O)c1ccccc1OC(F)(F)F)CC 232882236 AZWYCCRTNQDXOQ-UHFFFAOYSA-N 272.266 4.514 30 10 CJEE CCC[C@@H](CC)Nc1ccc(C#N)c2ccccc12 233289220 NGRRBUYCDPKZED-CQSZACIVSA-N 252.361 4.702 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C#N)cc2Cl)CC(C)(C)C1 235695884 FUSDKCCMDMBWHC-AAEUAGOBSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H]1C1CCCC1 250835003 UHWUFKMLOXHQTL-RBUKOAKNSA-N 294.527 4.719 30 10 CJEE CCCCCCSCCSC(C)(C)C(C)=NO 254439783 YPQYTVUFVVDYTA-UHFFFAOYSA-N 277.499 4.662 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ccc(C#N)cc1Cl)C2 300437409 DTNCSJWICOWUDF-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE Clc1ccc(N=Cc2ccccc2)c(Cl)c1 309148674 NGWDQWLRGODIPF-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@@H]2CCCc3ccccc32)C1 311408908 XYZMQYHJJQVHSE-UWWQBHOKSA-N 253.389 4.827 30 10 CJEE CCCCCCCCCOc1cc(Cl)cc(CN)c1 311962349 JPJMREAMMGFYIF-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccsc2Cl)CC1 312692062 CSYHUIRFRHILTJ-KHJSKFAYSA-N 283.824 4.545 30 10 CJEE N#CCc1cccc(Nc2nc3cccc(Cl)c3s2)c1 313410335 MYPSVWASFNZEHD-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CC[C@@H](C)C2)cc1Br 314521408 GMYLPKXELDCKCW-IAQYHMDHSA-N 292.220 4.630 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCCC[C@@H]2CC)CC1 316560633 AGNAWJJUDFRZPN-VUROTCPHSA-N 250.426 4.988 30 10 CJEE O=C[C@@]1(CCC2=CCCCC2)CCCc2ccccc21 317207389 KOPNBAKBKGXJEV-IBGZPJMESA-N 268.400 4.740 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1c(Cl)cccc1Cl 317252584 NQJYSIZWZQCJAB-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE CCCCCCCC[C@@H](O)c1coc(Br)c1 378983060 UTMNYRGPHXAVJB-GFCCVEGCSA-N 289.213 4.826 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1csc(Cl)c1 379001275 UYXIAWFMOQBKQC-CQSZACIVSA-N 271.857 4.524 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 387464201 QPYFQRIGHOMOSK-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE CCCCCCC[C@]1(C)CC[C@](C)(CNC(C)C)O1 388452773 AUMWMWXSXXJOIR-IAGOWNOFSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC1(O)C[C@@H]2CC[C@H](C1)S2 403595594 ZLBMWWUFVGPBKH-YIONKMFJSA-N 256.455 4.526 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc2ccccc2s1 692226796 JBDPKTSXILWXHK-STQMWFEESA-N 272.417 4.843 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12CCC[C@@H]1C2 693264955 DACRQVWQZXOYHL-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@@H]1C1CC1 696129447 AYENFSQJOQKYEY-IAGOWNOFSA-N 251.458 4.905 30 10 CJEE CCC(C)(C)CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 697210872 OFFCFHCTTOVACV-SNVBAGLBSA-N 298.213 4.996 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(Cl)c(C#N)c3)C[C@@H](C1)C2 697333198 KQYLERSQZFBTBE-OCZCAGDBSA-N 286.806 4.758 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC(C)(C)C(C)(F)F 700341573 IWRGWADYZTXYGG-GFCCVEGCSA-N 261.400 4.638 30 10 CJEE CCCCCCCNc1sc(C(C)=O)c(N)c1C1CC1 703788217 STZFYJUMAZIWHH-UHFFFAOYSA-N 294.464 4.793 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1OC(C)C 703995888 LWFKRXNJPJPFGL-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE CCCCCCCn1c(Cl)nnc1-c1ccccc1 705946199 JSFLMPMRUIRHKE-UHFFFAOYSA-N 277.799 4.569 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H](CCC)CC(C)C 710607117 JPMDKVDAHHJIET-HUUCEWRRSA-N 259.865 4.960 30 10 CJEE C=CCCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1C 710714298 SDJCHADRMWEAQJ-UHFFFAOYSA-N 276.380 4.616 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1C1CC1 711964607 VSOLYVLWBFXJEB-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCCNC[C@H](C)[C@@H]1CCCCO1 712063790 XXMWOTQANIXDML-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCC[C@H](C)/N=C1/NC2(CCCCCCC2)CS1 713287131 WQGRCHCUFVFASR-AWEZNQCLSA-N 282.497 4.741 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccccc1Cl 715010289 MZPADYQMSHMBJC-SWLSCSKDSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)cc1C 715785169 MWBBLFWPLNSRCL-MLGOLLRUSA-N 265.828 4.901 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@H](CC)C[C@H](C)S1 716899968 LFYKHDHWMHFTEQ-UONOGXRCSA-N 284.513 4.843 30 10 CJEE CCCCCCCCC[C@@H](Cc1cnc(C)s1)NC 718879465 SVQHFNFUSOUVFG-HNNXBMFYSA-N 282.497 4.723 30 10 CJEE C#Cc1cccc(N[C@@H](CC)CC2CCCCC2)c1 720942375 DUOHZPFRNXBGJH-KRWDZBQOSA-N 255.405 4.829 30 10 CJEE C=C1CCC(C[C@@H](N)Cc2ccc(Cl)c(Cl)c2)CC1 724549028 KOZWSOZWFOPEOK-CQSZACIVSA-N 298.257 5.000 30 10 CJEE 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CCCCCCC[C@H](C)N(CCC)C1CCC(N)CC1 118255170 HQWYFSKGUSVBJP-AOCRQIFASA-N 282.516 4.717 30 10 CJEE CCCCCCCCCOc1c(F)cc(CO)cc1F 124028071 SDBMJVZBKHGLAY-UHFFFAOYSA-N 286.362 4.587 30 10 CJEE C[C@H](CCNc1cc(C#N)ccc1Cl)c1ccccc1 127741020 VJOCHFVOISPQAY-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE CCCCCCCCCCC[C@H](CCCC)NN 130094264 FDATYHHTNKXPQB-INIZCTEOSA-N 256.478 4.929 30 10 CJEE CC1(C)CCc2ccccc2[C@@H]1Nc1cccc(C#N)c1 132594197 PAPHVKGQYPCVFP-SFHVURJKSA-N 276.383 4.684 30 10 CJEE CCCCCCCCCC(=O)c1cc(CC)nn1CC 135409380 QDNKFQVWRHZNRZ-UHFFFAOYSA-N 278.440 4.789 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cnns1 143500181 ILXLTZCDUYYSRE-CQSZACIVSA-N 283.485 4.849 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccncc1CC 157984319 DDSSZBCSYMVVAK-QGZVFWFLSA-N 262.441 4.655 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C)ccc1F 158945987 KOPNEUGNVDVNCM-MRXNPFEDSA-N 251.389 4.885 30 10 CJEE N#Cc1cc(F)cc(CNc2ccc(Cl)cc2Cl)c1 162883942 OASKVXSMCQQTSO-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCc1nncn1-c1ccccc1 162971929 KGPQSEJLWXIDOY-UHFFFAOYSA-N 271.408 4.560 30 10 CJEE C=CCCCS[C@@H](C)C(=O)Nc1c(C)cccc1CC 172215649 FDJVMHRFAMBYKW-AWEZNQCLSA-N 291.460 4.584 30 10 CJEE C=C([C@@](C)(O)CCCCCCCC)[Si](C)(C)C 195888964 FKMWLNRUWCFGPB-HNNXBMFYSA-N 256.506 4.922 30 10 CJEE SC/C=C\CSc1cc(Cl)ccc1Cl 211714842 IKSRAKHFVHHNDO-UPHRSURJSA-N 265.230 4.572 30 10 CJEE CCCCCCCCN(CCC)[C@]1(CN)CCC[C@@H](C)C1 218850128 FJYDISKIJFVPJI-RTBURBONSA-N 296.543 4.967 30 10 CJEE CCCCCCCCCCOc1cc(OC)ccc1N 224811317 FOKRJJNETVLWJO-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228551629 VVOWNDXUOVKOMU-SJCJKPOMSA-N 289.806 4.537 30 10 CJEE CCCCCCC[C@H](Cc1nc(C(C)(C)C)cs1)NC 228754887 RKQZFHMMWURROV-CQSZACIVSA-N 296.524 4.932 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)CC[C@@H]2N 232409631 ACOMYVVXUJJMLN-SFHVURJKSA-N 275.436 4.762 30 10 CJEE CCCCCCCCNCCCCCCSC 232923062 QMPVSKXQIGSZRD-UHFFFAOYSA-N 259.503 4.860 30 10 CJEE CCCCCCCCOc1ccc2c(c1)[C@@H](O)CCC2 232946001 JQJJMGWANSZKEG-SFHVURJKSA-N 276.420 4.796 30 10 CJEE CCC[C@H](CC)Nc1ccc(C#N)cc1C(F)(F)F 233348526 QFSFOPLUHFSALQ-NSHDSACASA-N 270.298 4.568 30 10 CJEE COC1(C(=O)C2=CCCCCCC2)CCCCCC1 234689015 AWMWUXXXOHFWAF-UHFFFAOYSA-N 264.409 4.576 30 10 CJEE Cc1cccc2cc(C(=O)C3=CC[C@H](C)CC3)oc12 235380269 RZWQMHIBKHAGAV-NSHDSACASA-N 254.329 4.670 30 10 CJEE Cc1cc(F)c(Nc2ccc(C#N)cc2Cl)cc1F 235915576 UHLCEAWCSHKGLM-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1C(C)C 250838009 WDUXCSYTLDHXDH-QRVBRYPASA-N 296.543 4.691 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCc2ccccc2C1 250843481 GWPBHMIYUNPVQF-OYSPMZIOSA-N 265.400 4.512 30 10 CJEE CCCCCCCC[C@H](NCC)C1C[C@@H]2C[C@H]2C1 253053654 XIOBNPXRQMIDNW-ZOBUZTSGSA-N 251.458 4.761 30 10 CJEE CCN(CC)c1ccc(N=Cc2cccc(C)c2)cc1 254405214 RQSRQGFKKXFSPO-UHFFFAOYSA-N 266.388 4.592 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H](C)CC)C1 300439567 ISYNGFZHMDJOLZ-GBJTYRQASA-N 253.455 4.874 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(F)cc2Cl)C1 300495654 AGOFCKLVJZWTBA-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE C=CCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 309942909 BRYLYMDDVLVORH-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1cc(C)c(C#N)c(C)c1C 312420913 KJVQOSCGKSSOQP-DOTOQJQBSA-N 271.404 4.831 30 10 CJEE N#CC1(c2ccc(C(F)(F)F)cn2)CCCCCCC1 312772632 LXWTYDZZNDWZNE-UHFFFAOYSA-N 282.309 4.606 30 10 CJEE O=CC1(CCCC(F)(F)F)CCCCCCC1 317071408 ZIDQYFSQYXJFKJ-UHFFFAOYSA-N 250.304 4.649 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cn(C)nc1C 380649159 PKKHJGVQNOIEOG-KRWDZBQOSA-N 280.456 4.683 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccccc1OCC 383557435 JANVUUQCULAPRR-INIZCTEOSA-N 275.436 4.872 30 10 CJEE Cc1ccc(Cl)cc1N=C1N[C@H](C2CCCC2)CS1 386070277 CQGZRDJXLFCDJF-AWEZNQCLSA-N 294.851 4.531 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)C2(C)CCCCC2)CC1 394705621 FCBDHRZTLVXLIZ-PQUAAJSLSA-N 277.452 4.674 30 10 CJEE CC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC1(C)C 397684600 MZFIJZVYRQOFKY-JKSUJKDBSA-N 270.420 4.724 30 10 CJEE C=C(C)CCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 405708892 JRESLLCPUDDPQG-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CCCCCC[C@@H](NN)C1CC(C)(C)CC(C)(C)C1 688300534 DQFMPGHHVFOXHF-MRXNPFEDSA-N 280.500 4.807 30 10 CJEE CCCCCCCCCCNC[C@@]1(C)CC1(F)F 689670231 OXFJSLAJRPJERR-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCCCCCC[C@H](NN)C(CC)(CC)C(F)(F)F 690212990 DFWGOBBKJXBVJG-LBPRGKRZSA-N 282.394 4.548 30 10 CJEE CCCCCCC[C@H](C)NCC1(SCC)CC1 691846874 CANNCMQLAXKWET-AWEZNQCLSA-N 257.487 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 692253353 RJHBNZJIARCNBW-DGCLKSJQSA-N 294.782 4.795 30 10 CJEE C[C@H](CC1CCCCC1)Nc1c(F)cc(C#N)cc1F 694704553 IHNZDUYBGSUHRK-LLVKDONJSA-N 278.346 4.607 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)cc3C)C[C@@H](C1)C2 697308649 LLSDXFOHZSGYMS-MZBDJJRSSA-N 259.368 4.681 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCOC2CCCC2)C1 699958359 BGRSVEBOJSVVBM-NVXWUHKLSA-N 266.425 4.511 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCC(C)(C)C3)C[C@@H](C1)C2 700365163 GPKWBYVHEZTKIN-LVYZTWJOSA-N 261.453 4.680 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 704024413 WJDJLSQMGLGRLE-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)Nc1ccc(F)cc1 720350125 OKBSUTNXFQXCOH-KRWDZBQOSA-N 274.383 4.880 30 10 CJEE C=C1CCC(CNc2ccc(F)c(Br)c2)CC1 724556425 ONUYKZPQPILFIF-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=C1CCC(C[C@H](NC)c2c(F)ccc(F)c2F)CC1 724620540 ZVGMWNGWIGJNBP-AWEZNQCLSA-N 283.337 4.501 30 10 CJEE N#Cc1cccc(CC2CC2)c1CC1CCCCC1 725448018 AHRIOGOXFMVFJQ-UHFFFAOYSA-N 253.389 4.634 30 10 CJEE CC(CCC1CCCC1)=NNc1cccc(C(F)(F)F)n1 740762732 FAYCHXQQMRQXTD-UHFFFAOYSA-N 299.340 4.859 30 10 CJEE CCN(CC)c1ccc(N=Cc2ccc(C)s2)cc1 1084066045 SCJBCOPLJSTEHQ-UHFFFAOYSA-N 272.417 4.653 30 10 CJEE C=C(C)CCC(=O)Nc1cc(OC)c(Cl)cc1C1CC1 1120752966 BGXHOCVOWQPMEV-UHFFFAOYSA-N 293.794 4.521 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 1134474628 GDLCWHLQWMATHZ-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CC)CCCC)c1 1134626843 QKQUPMOLKFRDOF-CQSZACIVSA-N 259.393 4.875 30 10 CJEE C#C[C@H]1CCCCN1C(=O)CCCCCCCCCC 1134916422 YJANLJRPZPNKEP-KRWDZBQOSA-N 277.452 4.532 30 10 CJEE C=CCCCN1CCc2c(-c3ccccc3)cccc21 1168967842 BQQKOPIIVYLNBF-UHFFFAOYSA-N 263.384 4.682 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CCCc2c(F)cccc21 1182108829 GYBLJGCIKXUUIC-DYVFJYSZSA-N 261.384 4.538 30 10 CJEE C=C(C)CN(Cc1ccccc1Br)C(C)(C)C 1192052198 BLDOYUINEQARLL-UHFFFAOYSA-N 296.252 4.626 30 10 CJEE C#CCC1(C(=O)Nc2ccc(CCCC)cc2)CCCCC1 1264242980 PXNQEIRPMJXKNE-UHFFFAOYSA-N 297.442 4.942 30 10 CJEE C=CC[C@@H](CC)NC(=O)[C@H](c1cccc(Cl)c1)C(C)C 1270623633 XJQDKKRIEFQTTH-CVEARBPZSA-N 293.838 4.551 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)c2cccc(C)c2)CCCC1 1279010759 DZYLGJAZLMAOHM-KRWDZBQOSA-N 299.458 4.741 30 10 CJEE CCCCCCCCCN(C)Cc1ccncc1Cl 1307426918 HYZNGQGXUTUTSD-UHFFFAOYSA-N 282.859 4.917 30 10 CJEE CN(Cc1ccc(CC#N)cc1)C1CCC(C(C)(C)C)CC1 1307434422 CBXWXBZGBJZUTC-UHFFFAOYSA-N 298.474 4.789 30 10 CJEE C=CCCCCN(C)[C@H](C)c1ccc(Cl)cc1 1308058734 DRTUFGPZDYSFTK-CYBMUJFWSA-N 251.801 4.689 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCCc2c(F)cccc21 1308793137 PIIPLTZDZYVCPU-KSSFIOAISA-N 275.411 4.928 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(OC)ccc2C2CC2)C1 1308912534 WUPPMRCSHQGXAU-ZFWWWQNUSA-N 271.404 4.729 30 10 CJEE C=CC1(CC(=O)Nc2ccc(C)c(F)c2)CCCCC1 1350200659 ZKNNFRRDQGNKQC-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 1435621824 PHXHYVDOFGLULG-MUSGIIIZSA-N 297.423 4.585 30 10 CJEE C=CC(C)(C)C(=O)N[C@H](CC)c1cccc2ccccc12 1439317663 CGRHSVYSGSOCPA-QGZVFWFLSA-N 281.399 4.619 30 10 CJEE C=C(CC)CSc1nc(-c2ccco2)nc2ccccc12 1458891171 MPNWJDXLWHQFAV-UHFFFAOYSA-N 296.395 4.948 30 10 CJEE C=CCCC[C@H](C(=O)OCc1occc1C)c1ccccc1 1460451562 KMZJYSUCKJWEFZ-KRWDZBQOSA-N 298.382 4.771 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@@H](C)CC1CCCCC1 1470046686 RSLZRWMDYBLORS-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=CCC1(C(=O)N2CC3(CCC3)c3ccccc32)CCCC1 1528784019 HLRBUTKDZPZGCQ-UHFFFAOYSA-N 295.426 4.591 30 10 CJEE C=CCC1(C(=O)N2CCCc3ccc(C)cc32)CCCCC1 1537855803 FXYJEUQHZCKTEN-UHFFFAOYSA-N 297.442 4.801 30 10 CJEE C=C[C@H](C(=O)NCC1CCC(C(C)C)CC1)c1ccccc1 1545542799 DJMKPPDHNXWJNH-TVPLGVNVSA-N 299.458 4.535 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(c3ccccc3F)CCC2)C1 1560523092 RPPNWSITXKZUBJ-JKSUJKDBSA-N 287.422 4.582 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(C(C)C)nc1)c1ccccc1 1611026678 WQACFPODUVYVHS-OAHLLOKOSA-N 294.398 4.503 30 10 CJEE C=CCC[C@H](CCC)NCc1ccc(Cl)cc1F 1621276106 XDNHGESLYVPKIL-AWEZNQCLSA-N 269.791 4.704 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 1624131430 LRRRPYLUTAZBJM-GDBMZVCRSA-N 286.419 4.505 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)C1 1645067272 VHYIKZVDKYUSKI-ZWKOTPCHSA-N 299.458 4.693 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1CC2CCC1CC2 1652333439 RIHOPKTVUBKKQE-LEOMRAHMSA-N 287.422 4.640 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CCC(C(F)F)CC1 1652806102 DHOUKDNLXALQMO-XSCHDIRWSA-N 271.395 4.535 30 10 CJEE C=C(C)CN(Cc1ccccc1F)C1CCCCC1 1652937341 ILFQHUKYFRIFGY-UHFFFAOYSA-N 261.384 4.537 30 10 CJEE C#Cc1ccc(NCC2CCC(C(C)C)CC2)cc1 1658122775 LORIBABKCPDQJO-UHFFFAOYSA-N 255.405 4.542 30 10 CJEE C=CCC[C@@H](C)Nc1cc(F)c(OC(C)(C)C)c(F)c1 1658595902 LUCWANGCVVZTJP-LLVKDONJSA-N 283.362 4.909 30 10 CJEE C=CCCCCCCNC[C@H]1CCc2ccccc2C1 1664653731 HXDXAKHJIBVVAP-KRWDZBQOSA-N 271.448 4.518 30 10 CJEE C=CCCc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)C2 1670664441 SIYXPMRXCVZVAA-GJZGRUSLSA-N 298.430 4.505 30 10 CJEE C=C(C)CCNC(=O)N[C@@H](CC)c1cccc2ccccc12 1682691072 UYUGKNZUOYCXKV-SFHVURJKSA-N 296.414 4.556 30 10 CJEE N#Cc1ccncc1-c1cc(Cl)c(Cl)cc1Cl 1848360063 PMUXLYMNYBKUFZ-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CCCCC[C@](O)(CC)[C@]1(C#N)CCCCC12CC2 1879224262 XZVMVMDBOFOECW-DLBZAZTESA-N 263.425 4.572 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1cscc1Cl)C1CC1 1887453802 UGXJORSNPCHOPY-CJNGLKHVSA-N 295.879 4.882 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@](C=O)(CC)C(C)C 1888324252 KAIVJVOCAQWQRE-HKUYNNGSSA-N 289.463 4.538 30 10 CJEE C=CCC(C)(C)NCc1cccc(SC(F)(F)F)c1 1913959242 FJMMOKCVIRYTKP-UHFFFAOYSA-N 289.366 4.743 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1cscc1Cl 1920331364 BFNZCWCTMWYILP-ZIAGYGMSSA-N 289.872 4.513 30 10 CJEE C=C([C@H](CC(C1CC1)C1CC1)NCCC)[Si](C)(C)C 1922996719 QBLMNAPPSULFEE-KRWDZBQOSA-N 279.544 4.615 30 10 CJEE CCC(CC)C[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 1926160664 AZPYUTHNVZFZME-UKRRQHHQSA-N 296.455 4.740 30 10 CJEE CCCCCCCCCN[C@@H](CO)CC1CCCCC1 1926718679 PBLDMBPMBKPTQT-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CC(C)[C@H](C)N(Cc1ccccc1)CC1(CS)CCC1 1931998325 JKVIUCNZTIFLGN-INIZCTEOSA-N 291.504 4.633 30 10 CJEE N#Cc1cccc(NCc2cc(Cl)c(Cl)s2)c1 1949295894 AEBZOBFENIJAAP-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cccc(OCc2ccccc2)c1 1958081892 CRSLSKQBERJWCU-JXFKEZNVSA-N 296.410 4.901 30 10 CJEE C#CCN(Cc1ccccc1)Cc1ccccc1C(C)(C)C 1962202049 BIQRADOFQGJABA-UHFFFAOYSA-N 291.438 4.620 30 10 CJEE CCCC1CCC(CN(CCC#N)CC(C)(C)C)CC1 1969280929 BRXDBNGQKFARQK-UHFFFAOYSA-N 278.484 4.855 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1cccc(Cl)c1 1996464926 WYQGGEIFVLRBBW-IUODEOHRSA-N 251.801 4.593 30 10 CJEE CCCCCCCC[C@@H](CCSCC)NCC 2000313091 PZWUHUSCJCTZRJ-HNNXBMFYSA-N 259.503 4.858 30 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C=C(CN(C)CC(C)(C)CC(F)(F)F)c1ccccc1 2195509824 HSSSPEMYFDEPMT-UHFFFAOYSA-N 285.353 4.610 30 10 CJEE CCCCCCCCCCN(C)CC[C@H]1OCC[C@@H]1C 2195678521 DRSYNUULUAUCRC-ZWKOTPCHSA-N 283.500 4.874 30 10 CJEE CC#CCCCC[C@H](NC)[C@@H]1CCCC[C@@H]1C(F)(F)F 2196169569 HKXJFUVHJIIZEO-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccccc1C(F)(F)F 2196171191 GYNAJYFOJCRMNN-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE C#CC[C@H](CC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C1CC1 2196831892 FAYWDBXOZGIRGR-BSDSXHPESA-N 272.432 4.602 30 10 CJEE CCN(c1cc(Cl)c(C#N)cc1F)C1CCCCCC1 2197133294 SOERFSCZPCSXSB-UHFFFAOYSA-N 294.801 4.900 30 10 CJEE C=C(C[C@H](NCC)c1cccc(F)c1)c1ccccc1 2197156205 WBWSGNUIPYSIRP-SFHVURJKSA-N 269.363 4.580 30 10 CJEE CCN[C@H](C)c1ccc(-c2ccc(Cl)c(C#N)c2)cc1 2197940148 HPCIRWMPQUHWMD-GFCCVEGCSA-N 284.790 4.549 30 10 CJEE CSc1cccc(OC[C@H]2CC23CCCCC3)c1C#N 2198384832 ZUWGYJZLJJNCAH-CYBMUJFWSA-N 287.428 4.629 30 10 CJEE C[C@@H]1O[C@@]2(C[C@@]3(C=O)CCCC(C)(C)CC3)CC[C@H]1C2 2198670766 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C=CCCCCCCCCCN1C(=O)CC(C)(C)[C@@H]1C 2207377142 LQEXSLMPQYXTNH-INIZCTEOSA-N 279.468 4.940 30 10 CJEE C=CCCCCCCCCN(C)c1cccc(C#N)c1 2207384383 IJQNBUQVJKJDCQ-UHFFFAOYSA-N 270.420 4.911 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCO[C@@](C)(CC)C1 2207403070 GKLZVOMHVQRORE-ZWKOTPCHSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@]1(O)C=CCC[C@@H]1COC 2207412062 FJIHVFOKSXZGFX-MSOLQXFVSA-N 280.452 4.637 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H](O)CCCC 2207412294 WOMNSGWEQBLCPW-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](C)OCC(C)C 2207415184 RFGUYVZUQCLXIS-ROUUACIJSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CC[C@H](COC)C1 2207425576 SFPSVVVPBIXJRE-KSZLIROESA-N 282.468 4.717 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cn(C(C)C)cn1 2207427598 OEZIQFBFFQREEF-KRWDZBQOSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@](O)(CC)CC1CC1 2207428150 VHKMFBKGLZMZSN-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1CCC[C@]1(C)N 2207429571 KSXVWBCXHXADFY-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(N)C[C@@H]1C(C)C 2207442626 SQYFHYYUXROVBG-SJLPKXTDSA-N 279.468 4.626 30 10 CJEE C=C1CCC(CC(=O)[C@@H](O)CCCCCCCC)CC1 2207444969 NSQKXPBFALKTAI-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1N 2207446049 DGUKPIUHKWHSRJ-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CCCCC 2214765672 NKDOGRGXMCUGEQ-QGZVFWFLSA-N 259.459 4.750 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H]1CC[C@@H]1C(F)(F)F 2217757738 DLHFZRIIRLMKCA-FRRDWIJNSA-N 264.331 4.751 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CC[C@@H](F)C1 2220090334 BPSWOSXZURPEQX-XHSDSOJGSA-N 255.421 4.629 30 10 CJEE C=CCCCC[C@H](CCCC(F)(F)F)NCCC 2222298067 OHVNYUBSBTVCFD-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)C[C@H](C)C1 2223269044 ZPXLGYZGIYYCGH-GOEBONIOSA-N 254.414 4.511 30 10 CJEE C=CCCCCCC(=O)c1ccc(C)c(F)c1F 2223458925 DOFGAUVMLXWVTI-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@H](C)CC(F)(F)F 2223548625 HMXITMLYFLGJRO-AGIUHOORSA-N 265.363 4.545 30 10 CJEE CC(C)(C)C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C1 2224856737 XEGLDJKKGJCSRC-YEORSEQZSA-N 276.811 4.838 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)CC1CCCCCC1 2225439351 MFGUAFNTCYWMSZ-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE N#Cc1ccc(F)cc1CSCCCCCC1CC1 2227201726 XITMKVBFDQUCHV-UHFFFAOYSA-N 277.408 4.901 30 10 CJEE C=C(C)CCCNCc1ccc(Cl)c(C(F)(F)F)c1 2228026049 MNDHAKPUPIEJBP-UHFFFAOYSA-N 291.744 4.805 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CCC[C@@H](C(C)(C)C)C1 2229822103 WHCALPUEGKKRIH-HUUCEWRRSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCCCOC(=O)C1(CS)CC1 2231029268 XYBKPUOQACWGGC-UHFFFAOYSA-N 286.481 4.770 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](O)[C@@H]1CC 2231038406 UPUSACBZTSLLIY-YESZJQIVSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCCOC[C@@H]1NCC[C@H]1C 2231076747 RGOBRZQTIZQDDX-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CC[C@@H](C)Oc1cc(Cl)ccc1CN[C@@H](C)CC 2231554030 CBMAMFURMNORQG-QWHCGFSZSA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCCC)C(C)C 2231934949 NJKDVPWXOGXNIP-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](N)CCN(C)CCCCC 2232147331 AGZSGYATYKMBSL-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE Cc1csc([C@H](O)C2(C#N)CCC(C(C)C)CC2)c1C 2234229428 AYQRMSJMKGANID-WIHSUSGWSA-N 291.460 4.755 30 10 CJEE C=CCCCCCCC[C@H](NN)C1(C(C)(F)F)CCC1 2235539125 NJWXJCABSVVSAV-AWEZNQCLSA-N 288.426 4.561 30 10 CJEE Cc1sc([C@H](O)C(=O)C2=CCCCCCC2)c(C)c1C 2236832356 FVCWZRVSLNTYBC-MRXNPFEDSA-N 292.444 4.556 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@H](C(C)(C)C)C1)c1ccccc1 2238159284 UOZHRJUDSQOXJM-KSZLIROESA-N 269.432 4.555 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CCC[C@@H]1CC 2239456064 HAEOLJLRFNCIIV-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCOCc1cc(C)cc(NC)n1 2239490803 UYBYJKUBBCBBPC-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CCC[C@H]1NC 2239492049 GZOFKJSUAIVNCZ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CCCCC)O[C@](C)(C(=O)O)C1CCCCC1 2239507470 LFPKMFDWMCXITG-RDJZCZTQSA-N 282.424 4.562 30 10 CJEE CCCCCCCCCCCOCc1cnsc1CN 2239557778 YVSBYVZVUHYRPQ-UHFFFAOYSA-N 298.496 4.649 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCCCCCC1 2240562127 GZRFSUPCSFISTB-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCC(C)(C)CO1 2240650354 SGKKPYWEWFROGG-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CC(C)(C)[C@@H](CS)CSC[C@H]1CC12CCC2 2242832428 KVCWIHLMTKIHDY-NEPJUHHUSA-N 258.496 4.502 30 10 CJEE C=CCCCCCCCSC1CCC(N)CC1 2250062472 POGLDKQZBHNSFJ-UHFFFAOYSA-N 255.471 4.516 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(C)cc1Cl 2250165160 NBYURVWTVBUILS-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE C=C(C)CCCCC(=O)Cc1ccc(Cl)cc1 2250184778 FNQXNKBIAOJUIG-UHFFFAOYSA-N 250.769 4.588 30 10 CJEE CCCCCCCC[C@H]1C[C@H](C(C)(F)F)CCN1 2256710600 IBMHQJPWAWRYBE-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=CCCCCCCCSCCCNC1CCC1 2258988161 NZIIFKKKEVOPBU-UHFFFAOYSA-N 269.498 4.778 30 10 CJEE C=CCCCS[C@H]1C[C@@H](NCCC)CC(C)(C)C1 2258988477 PGCCDXNAKOLQJE-CABCVRRESA-N 269.498 4.633 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCC[C@@H](N)C1 2259047848 AAULYQZNFCBYQN-HZPDHXFCSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCCSC1 2259176649 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MQFPBMHFBRRDFG-KBAYOESNSA-N 261.453 4.504 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C=O)CCC23CCC3)C1 2274308190 PJDRLVSMYWKEKS-JTTJXQCZSA-N 262.437 4.988 30 10 CJEE CN(CCCCCC#N)[C@@H]1CC(C)(C)CCC1(C)C 2274530428 XIBRIQOGXSZQSX-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H](C(C)C)C1 2276768725 YLJIUVRNQNLQRA-IRXDYDNUSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)[C@H](C)CC 2276890690 HFMRZYKTXYPHAM-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCC[C@H](C#Cc1ccccc1Cl)NCCC 2277851996 ZARDGMYMOIEBNA-MRXNPFEDSA-N 277.839 4.640 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@H](C(C)C)O1 2278238128 ROAFFVQSAHBRRL-SJORKVTESA-N 269.473 4.530 30 10 CJEE C=CC(C)(C)COCCCCCCCCCCCN 2278775520 UMOAABCZAGFZDB-UHFFFAOYSA-N 269.473 4.685 30 10 CJEE N#Cc1ccc(Cl)c(NCC[C@@H]2CCCCC23CC3)c1 2279737029 VJENXJBXWIFUGC-AWEZNQCLSA-N 288.822 4.984 30 10 CJEE CC1(C)CC[C@]1(C=O)CCC12CC3CC(CC(C3)C1)C2 2279870131 YNAMJZGWBPXPDN-AWZATWRCSA-N 274.448 4.988 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1sc(C)c(C)c1C 2280017220 KOZJLACRXPRGIH-IRXDYDNUSA-N 297.508 4.785 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCCC12CC2)NN 2281450485 OYERQXULYBRFDS-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCC(F)(F)CC1(C)C 2284083286 DXXOXWIWHWPMGV-INIZCTEOSA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CCNCc1ccc2sccc2c1 2284106913 KODJXVGWLRYAAY-UHFFFAOYSA-N 283.440 4.597 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@]1(C)CCCCC1(F)F 2284183006 LPJITVCRMSDYPP-HOCLYGCPSA-N 284.390 4.559 30 10 CJEE C=CCCCSc1cc(NCCC)c(C)cc1[N+](=O)[O-] 2287088046 WCFKLIATNRLCLY-UHFFFAOYSA-N 294.420 4.783 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccccc1CC(C)C 2287375920 POJZTHUVCFPNHQ-GOSISDBHSA-N 274.452 4.526 30 10 CJEE CCC[C@H](CC)CNc1cccc(OCCCC#N)c1 2287677529 CQVPXVUGDHAZTQ-HNNXBMFYSA-N 274.408 4.607 30 10 CJEE C=CC[C@@H](CC[C@@H](C)CCCC(C)C)CNCCOC 2287919600 XZAPRWLYJGQMAB-ROUUACIJSA-N 283.500 4.657 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1[C@H](O)C(C)(C)CCC1(C)C 2290328963 AQUYTZSASWPQQJ-HOTGVXAUSA-N 276.464 4.806 30 10 CJEE C=C(C)CC[C@H](CCCCCCCCC)OCC(=O)O 2291444375 QIOFDAFJXQFPTD-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@@H](CCCC(C)C)OCCC(=O)O 2291689883 KMPSCQYZNJYIDU-INIZCTEOSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@H](CCCC1CC1)OCCC(=O)O 2292726498 JLANURIRMJVOTH-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE O=C(C=Cc1ccc(-c2ccccc2)o1)c1cccs1 2293038865 CEKDKNAMOGXZNM-UHFFFAOYSA-N 280.348 4.904 30 10 CJEE CCCCCCC[C@H](CC1CC(C)(C)C1)OCCCN 2293086257 PBLAFCSYMJDBOY-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CCC2(CC2)C1 2293367758 GPRHDILEVNKKCR-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1C(C)(C)C 2293653219 YGGRTOXPJFAIMU-ZACQAIPSSA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCCC12CC2 2293778646 JKUVCDXEYAQKOP-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCC[C@@H]1C(C)C 2294019348 WGJUPPFYCRVGKT-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](CC)(OCCCN)[C@@H]1C[C@@H]1C 2294567946 KVKHNEMRMUAKHH-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCC[C@H](CC(C)C)[C@@H](C#Cc1ccccc1Cl)NC 2295213806 GNYIHLZDZYKUBB-SJLPKXTDSA-N 291.866 4.742 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)CCC1(C)CC1 2295218490 DCJGZNPRXKWRFL-INIZCTEOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ncc(C)cc1F 2295589216 JHJSEIOVDRGFEZ-KRWDZBQOSA-N 281.415 4.877 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cc(Cl)cnc1N 2295591573 GVQJVTSKIHYGRY-INIZCTEOSA-N 298.858 4.665 30 10 CJEE CCCCCCCCC[C@H](C)NCCN(C)[C@@H](C)CC 2295686724 LYRGGKDOKGYDGQ-ROUUACIJSA-N 284.532 4.836 30 10 CJEE C=C[C@@H](C)C[C@@H](N)c1ccc2oc3ccccc3c2c1 2295801898 LXSRECYYDONTQV-MLGOLLRUSA-N 265.356 4.798 30 10 CJEE CC(C)C[C@H](CS)CSC1CC2(CC(C)C2)C1 2308060323 OVTAYJOPGLWTIW-MXTXEEQBSA-N 272.523 4.890 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC1 2309175080 QHBDEOIQHSPSRQ-XQQFMLRXSA-N 253.336 4.532 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCC[C@@H]2C[C@H]12 2312622838 DEZQZBFVMPEQNR-YVSFHVDLSA-N 251.458 4.904 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@@H]2CC[C@H]1C2 2312902376 COSQPFLTZSSFJH-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)C)c(Cl)c1 2313699517 SLOAKWFSBNMLCW-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE C=CCCCCCCCNC[C@@](C)(CC)C(F)F 2315048587 MQFIAUAPEUWMBN-OAHLLOKOSA-N 261.400 4.784 30 10 CJEE CCC(CC)(CS)COCCCCCC(F)(F)F 2315792903 YCBKFEFMYWPJKI-UHFFFAOYSA-N 286.403 4.862 30 10 CJEE CC(C)CCC[C@@](C)(O)CC=CC#CC(C)(C)C 2315908869 SJTVLJOOHOGOCO-KRWDZBQOSA-N 250.426 4.560 30 10 CJEE CCCC[C@](C)(C=O)Cc1ccc(F)c(C)c1Cl 2317086229 QBZHGVGHZWHSFN-HNNXBMFYSA-N 270.775 4.725 30 10 CJEE C=CCCCCCCNC[C@H]1CC[C@@H]1C(C)(C)C 2320162561 JGZWFZHYRPLBLY-CVEARBPZSA-N 251.458 4.785 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(C#N)CCC(F)(F)C1 2320319654 ZUUHJAWYMLZFHC-BZPMIXESSA-N 255.352 4.778 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C=O)CCC(F)(F)C2)CC1 2320407999 GYGJPFHCFCOADV-KGLIPLIRSA-N 256.336 4.518 30 10 CJEE CCCCCCC[C@](C)(N)[C@H](CC1CC1)C1CC1 2320771888 KWMKQZNHBIDQHD-SJORKVTESA-N 251.458 4.891 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1c(Cl)ccc(F)c1F 2321095101 GCAAIGLBYKPCKF-KGLIPLIRSA-N 273.754 4.610 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1c(Cl)ccc(Cl)c1OC 2321113673 QJVULSISPXPBHS-ZDUSSCGKSA-N 288.218 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCC(C)(F)F)NC 2321118868 VQYKMGCKCSDEMP-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1ccc(C)cc1Cl 2321227944 IUQXGMKQPXIYST-CVEARBPZSA-N 266.812 4.544 30 10 CJEE CC(C)ON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2330324840 FRIGJTXSENOXCC-UHFFFAOYSA-N 259.393 4.523 30 10 CJEE CC(=NOCc1ccc(C)cc1)c1ccc(C)c(C)c1 2330451569 HIZSTZQPRDBTCY-UHFFFAOYSA-N 267.372 4.553 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 2330451693 RTXLZFMUOTWCSC-UHFFFAOYSA-N 287.790 4.898 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332261312 UCWRGIKLXHXAIK-ICUGJSFKSA-N 263.469 4.891 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCCC(F)(F)[C@@H]1N 2335096800 QRFAFNMVYVUASA-ZIAGYGMSSA-N 289.435 4.536 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCC2(CCCCC2)[C@@H]1NC 2335195054 UMFFFUDOBWRKOJ-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H]1CC2CCC1CC2 2337095396 ABNVHWAFKAUAPM-SWOPIRDTSA-N 261.453 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CC2(CCCCCC2)C1 2337111964 PSUQLPQKHXNFNZ-NVXWUHKLSA-N 261.453 4.824 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1CCN 2337302644 YFABTALDZXEZDU-UHFFFAOYSA-N 299.842 4.593 30 10 CJEE Cc1cc(N[C@H](C)CCCC(C)C)cc(C)c1C#N 2337716200 KPHPGJUQVUCEIW-OAHLLOKOSA-N 258.409 4.802 30 10 CJEE C=CCC(CC=C)N(C)[C@H]1CCCC[C@@H]1C(F)(F)F 2338715988 YGMWCLUNKBMJTG-KBPBESRZSA-N 275.358 4.560 30 10 CJEE C#CCCCCCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1 2338806786 ZMAYNJQHTCZTPQ-DLBZAZTESA-N 263.469 4.765 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)CCC23CCC3)c1Cl 2339310737 SUUGEMIGJNSJPF-MRXNPFEDSA-N 277.770 4.804 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCC12CCCCC2 2339965955 CKNKJJXIQZBLSU-KRWDZBQOSA-N 253.389 4.583 30 10 CJEE CCSc1cccc(N[C@@H]2CC(C)(C)[C@H]2C)c1C#N 2340663926 UFUNIRKMBJRREK-SMDDNHRTSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCCN(C)CCCCCOC 2342782390 KCMSLVMLTQTSRQ-UHFFFAOYSA-N 271.489 4.876 30 10 CJEE C=CCC(CC=C)SC1(C(=O)O)CCC(CC)CC1 2352221938 KVSMCAGFIXFEHV-UHFFFAOYSA-N 282.449 4.664 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2352740907 AKNHOAQIMQTAEP-SCRDCRAPSA-N 276.342 4.751 30 10 CJEE CSc1cc(NCCC2=CCCCC2)ccc1C#N 2353835714 UXWQHQGEIBEHFR-UHFFFAOYSA-N 272.417 4.583 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356211095 YRHMQJMPWNZZTP-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2OC[C@@H]3CCCC[C@H]23)C1 2358519953 QJVFHOUHBULHFO-FPSMNIFISA-N 275.436 4.692 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1OC[C@@H]2CCC[C@@H]21 2358948524 XYORJFDSKLCQBX-OWSLCNJRSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)OCc1ccc(CNCC(C)C)s1 2360218416 WEYSJYWSJPXESE-UHFFFAOYSA-N 293.476 4.531 30 10 CJEE N#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 3611753 RUHGJWKIGJKQEW-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE Cc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)s1 14456354 BFUVLFXHIZMVEU-DEYYWGMASA-N 292.407 4.755 30 10 CJEE C[C@@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334036 NZHLGTSUAHBVDF-ZWNOBZJWSA-N 283.293 4.535 30 10 CJEE N#CC[C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 39436443 FJVSFTKNJLDDLL-ZJIILYSQSA-N 265.400 4.900 30 10 CJEE N#Cc1c2c([nH]c(=S)c1/C=C/c1ccccc1)CCCC2 45823861 VOWHUMPDLIHZEO-ZHACJKMWSA-N 292.407 4.665 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)c(O)c1 59474408 YITDLADPARGQEL-CYBMUJFWSA-N 265.397 4.562 30 10 CJEE C=CCc1cc(C)cc(C=O)c1OCCCc1ccccc1 66117618 PNMFGKCGGLFOLG-UHFFFAOYSA-N 294.394 4.548 30 10 CJEE C=CCOc1ccc(CNCC[C@H]2CCC[C@H](C)C2)cc1 70546923 FVWUBRIJXVFMJQ-DLBZAZTESA-N 287.447 4.557 30 10 CJEE Cc1ccccc1Cn1c(Cl)c(C#N)c2ccccc21 71464942 LURRRRRKQHSMRX-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE C=CC[C@@H](Sc1nc(C)cc(C)n1)c1ccccc1 72262813 YRARXJCTVWZQOP-OAHLLOKOSA-N 270.401 4.503 30 10 CJEE Cc1cc2c(C(=O)CC#N)cn(C3CCCC3)c2c(C)c1C 84862518 GUPWKGGKMYTHDH-UHFFFAOYSA-N 294.398 4.778 30 10 CJEE Cc1ccc2cccc(OC[C@H](CS)C(C)(C)C)c2n1 94584296 BLXSTVMWTPQVEM-CQSZACIVSA-N 289.444 4.514 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)C1CCC(C)(C)CC1 94858976 WOVJFNANZCUODZ-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CCCCCCCCNc1nc(Cl)nc(C)c1C 105840825 QFVADAFQMSCDGO-UHFFFAOYSA-N 269.820 4.519 30 10 CJEE CCCCCCCCOc1ccnc(CNCC(C)C)c1 110157889 NXSHGEDBXZKELH-UHFFFAOYSA-N 292.467 4.567 30 10 CJEE C[C@H]1Cc2ccccc2N(c2ccc(Cl)cc2C#N)C1 110259433 MDICLFZZCYGASH-LBPRGKRZSA-N 282.774 4.542 30 10 CJEE CCc1cc(Oc2ccc(F)cc2C#N)ccc1Cl 111037159 YNNLPUFDYULKEG-UHFFFAOYSA-N 275.710 4.705 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2c1OC(C)(C)C2 115654207 SMGIZMDOOWBBBH-MRXNPFEDSA-N 276.420 4.794 30 10 CJEE CCCCCCCCCOc1csc(C(=O)O)c1 117668332 HTZWTGNPHGWSCW-UHFFFAOYSA-N 270.394 4.576 30 10 CJEE CCC[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 126279926 RTZUGGXHLBUPHJ-INIZCTEOSA-N 268.335 4.651 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](OCC)C1CC1 130163225 CZGGLOIGMNJVPJ-ROUUACIJSA-N 283.500 4.920 30 10 CJEE C=CCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 156322453 QPDHBCBPWANABS-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE Cc1cc(Nc2ccc(Cl)cc2Cl)c(C#N)c(C)n1 157371648 VQJRACMMQSTDIL-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCC[C@@H](CC[C@H]1CCCO1)NCC 158953284 YUQZGWOFJIDHLR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC1(C)CCCC[C@]1(O)C1(C#N)CCCCCCC1 159012962 RTIIFGRGNBDJBK-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2cc(C#N)cc(C)n2)c1 161160467 JFJCJLVGDOMDMS-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 163957889 FFYBNTGFAARTRK-XHDPSFHLSA-N 296.336 4.958 30 10 CJEE C=C(C)CC[C@H](NCC)C1CCC(CCC)CC1 164619974 SVMXXSWTTGDLKM-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC[C@H](NCC)c1ccnn1C 165852733 YCRVIGTWZDTXGM-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE N#Cc1ccc(NCc2cccc(F)c2Cl)cc1Cl 166328613 WQFZEEZLHNYPSX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H](CC)c1ccccc1 167704591 UGZUWBJWUFRZDF-ROUUACIJSA-N 259.437 4.905 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2c(C)cc(C)cc2C)C1 218367210 DHUKZVSHDONHNQ-NZSAHSFTSA-N 285.431 4.755 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(OCCCC#N)c1 221988769 VNVBWPHTVYUGRL-VKJFTORMSA-N 286.419 4.606 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1cccc2ccccc12 228817870 KFXFCXDDKFWYLU-CABCVRRESA-N 253.389 4.845 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC2CCCC2)cc1 228820607 XUNMSBDZKPSRPK-CQSZACIVSA-N 259.393 4.775 30 10 CJEE CC(C)(CCC#N)CNc1cc(Cl)ccc1Cl 229667577 OAPRBAAEONBDKO-UHFFFAOYSA-N 271.191 4.735 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(OC(F)F)c1 229756761 UIJOTYBPERIZJL-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(Cl)c(F)c1 232514919 CRCVUDIZMIJUQQ-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE CCCCCCCC(=O)c1ccc(C)c(C)c1OC 232937214 GFKJVPBJTVTWBC-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE CCCCCCCC[C@@H]1CCC[C@H](C(F)(F)F)N1 232937555 BREJDFXOJLEVJZ-CHWSQXEVSA-N 265.363 4.810 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@@H]1CNC1CC1 232960810 XVBSVBVOERXGTH-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(CC)(CC)OC 233163272 OLLBMWCQLFZBAF-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@H](NC)c1cnc2ccsc2c1 234447455 WGEYPSJXMSWVBD-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE C=CCCCCC[C@H](N)c1cc2cc(C)ccc2o1 235881009 OFADCJHVSZTLOR-HNNXBMFYSA-N 257.377 4.878 30 10 CJEE N#C[C@]1([C@H]2C=CC=CC2)CC2=CCC(C(F)(F)F)=C[C@@H]2C1 250671543 UXQSYWKNCIVURX-YCPHGPKFSA-N 291.316 4.857 30 10 CJEE C[C@H](C#N)c1ccc2c(ccn2C2CCCCC2)c1 260069688 PPHLMGKLXSXZRT-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE C[C@@H](c1ccc(Br)cc1)C1(C#N)CCCC1 304382770 WXWYESKYPUNKGB-NSHDSACASA-N 278.193 4.637 30 10 CJEE C[C@@H]1CC(n2ccc3ccc(C#N)cc32)C[C@@H](C)C1 311268331 XLWRGOLFVDAAHB-STQMWFEESA-N 252.361 4.510 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCOC[C@H]1C 311561489 OKHAZLADAKHADJ-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCCCCC(=O)/C=C\c1ccc(N)cc1 312176764 QWWDZXOUOKMZCV-QINSGFPZSA-N 273.420 4.992 30 10 CJEE CCCCCCC[C@@]1(C)CCC[C@H](CNCC(C)C)O1 312682510 NONGAAZUHDLVAK-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCCC12CCCCC2 313003462 WQUDZBIMDIASPI-MRXNPFEDSA-N 276.468 4.799 30 10 CJEE C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)c2ccccc21 313544302 RAYFIIQDJUNWJV-DIFFPNOSSA-N 282.774 4.872 30 10 CJEE CCCCCCCOc1cccc(/C=C\C(=O)O)c1Cl 328222364 LWFYPOUNPHGNGO-KHPPLWFESA-N 296.794 4.787 30 10 CJEE C[C@@H]1CCC[C@H](C[C@]2(C#N)CCc3ccccc3C2)C1 380570897 UFVKTSRVHHGWEB-JTDSTZFVSA-N 267.416 4.902 30 10 CJEE CCCCCCCCOCc1cccc(CNC)c1Cl 381749388 VSHHQJPKHQIIFR-UHFFFAOYSA-N 297.870 4.937 30 10 CJEE N#C[C@@]1(C[C@H]2CCCC2(F)F)CCc2ccccc2C1 382199980 RUEYFFMRTBCZFO-CVEARBPZSA-N 275.342 4.511 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccc(Cl)cc1Cl 384936289 DMHCMWWYDRUGNX-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE CCCCCCCn1ccc(CNC(C)C)c1CC 388745671 JVRZLWCEDRUORX-UHFFFAOYSA-N 264.457 4.519 30 10 CJEE C=CCCC[C@@H](C)n1ccc2c1CC(C)(C)CC2=O 398320804 YWTVZTPMKPQYEO-CYBMUJFWSA-N 259.393 4.561 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1c(C)cccc1C 617179016 WSCUCZYTWFBZES-IRXDYDNUSA-N 285.431 4.569 30 10 CJEE C#CCCCCC[C@@H](O)C1CCC(CCC)CC1 686672742 AOSFYKGZIRCJFO-OFLPRAFFSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCCC1(C)C 686695478 KFCQCUONOBWLTM-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CC(C)(C)C[C@H]1CSC(=Nc2cccc(C3CC3)c2)N1 690148143 ZNXRDCWYIIOPME-HNNXBMFYSA-N 288.460 4.693 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 691055327 VBMSZSYOLNDMOE-BLLLJJGKSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC12CCCC2 692276421 WICVHFCCWOZPHX-IKGGRYGDSA-N 261.453 4.824 30 10 CJEE CCCC(CS)(CCC)CSc1ncccc1C 692631411 IJZYAQOKTGAXJW-UHFFFAOYSA-N 283.506 4.999 30 10 CJEE CCCCCCCCC[C@H](N)C(F)(F)C(F)(F)F 692647308 GXEMYZMBCLVKPB-JTQLQIEISA-N 275.305 4.652 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc(COC)c1 693435399 PCEGLRKTTKFIDI-GOSISDBHSA-N 277.452 4.974 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc3cscc3s2)cc1 693960151 UYENATSNWLIVJJ-CYBMUJFWSA-N 284.409 4.948 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/NC2(CCCCC2)CS1 694635057 KJTFSZXMOIDDQT-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C=CCCSCCN[C@H]1C[C@H](C)Sc2sccc21 696019736 YZUUOMSYWLMIOB-AAEUAGOBSA-N 299.530 4.572 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2ccc(C#N)c(Cl)c2)CC1 697551758 SZWBQBSBURBCLO-GXTWGEPZSA-N 276.811 4.617 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C)C(F)(F)F 697702491 HTHKPVUOVLJUAX-VXGBXAGGSA-N 253.352 4.523 30 10 CJEE CCCCCCCC[C@@H](O)c1ccnc(OC)c1Cl 701655094 RFOWUMJVUZSMDE-CYBMUJFWSA-N 285.815 4.528 30 10 CJEE SC[C@H](CSCc1ccc(Cl)cc1)C1CC1 702038626 WSUVWEVLQKUAQP-GFCCVEGCSA-N 272.866 4.529 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)C(C)(C)C 702248828 ZWJOOIXWTJKEOF-CRAIPNDOSA-N 271.448 4.584 30 10 CJEE C=CC[C@@H]1CCCCN(c2ccc([C@H](C)O)cc2Cl)C1 703690484 OIJHZOZWOKLLHT-UONOGXRCSA-N 293.838 4.576 30 10 CJEE CCCCCCCN[C@@H]1CCSc2c(F)cccc21 703781811 AMNGAIWGRSRIDI-OAHLLOKOSA-N 281.440 4.923 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC(C)(C)OC1(C)C 709732726 AUCZZJNVULNWSL-HOTGVXAUSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCN1CCC[C@@H](C)[C@@H]1CCCN 710573071 MOEBWQCRBNLJSG-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1c(F)cccc1Cl 710647507 YNGHFBPTOQKCPI-GFCCVEGCSA-N 276.182 4.662 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CC(C)(C)OC1(C)C 711366660 UWIQRGNBJFBOBY-LSDHHAIUSA-N 269.473 4.658 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 715796334 PHINIVCRSNLHAS-OVWQWFNUSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)[C@@H]1CCCO1 720211245 ZCSSNTMHBJKULD-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NN)c2cccc(Cl)c2Cl)CC1 724578793 GOBAUJQJDWKRNY-AWEZNQCLSA-N 299.245 4.634 30 10 CJEE CSc1ccc(CC#N)c2scc(C(F)F)c12 725296024 OVRIFFWRZBUDSX-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C)c1nc(C)cs1 727669478 LRGCCUQXQPMDEG-CQSZACIVSA-N 296.480 4.769 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/C(C)(C)C 731890813 GQJXICAADHGFJK-CMDGGOBGSA-N 297.851 4.518 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](C)c1cnc2ccccc2c1 758521859 NASKXNNDRSMCNT-CQSZACIVSA-N 295.382 4.607 30 10 CJEE CCOc1ccccc1C=Nc1ccc2ccccc2c1 1084146498 PDQTZYFBZOUPHL-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE C=CCC1(NC(=O)CCc2ccc(C(C)C)cc2)CCCC1 1131251289 AXQQFVOBRJQLDV-UHFFFAOYSA-N 299.458 4.748 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CCC1CCCCCC1 1134514899 IYVQRNKYQHBPCX-KRWDZBQOSA-N 277.452 4.694 30 10 CJEE C=C(C)CCN[C@H](C)CCCOc1ccc(Cl)c(C)c1 1181893016 ODTNLDHKXOGLJK-OAHLLOKOSA-N 295.854 4.752 30 10 CJEE C=CCCCCCSCc1c(F)cccc1F 1189467688 PCMXAOJXLOTSRO-UHFFFAOYSA-N 256.361 4.944 30 10 CJEE C#CCOc1ccccc1NC[C@H](C)CC1CCCCC1 1202050932 RDFVDVUJJAOODL-MRXNPFEDSA-N 285.431 4.717 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](C)CCCCCC)cc21 1207695783 BBFAGWGQXIMVJK-HNNXBMFYSA-N 285.435 4.993 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@H](CC(C)C)C1)c1ccccc1 1265585393 HNHGUKSJMKWLSL-MJGOQNOKSA-N 299.458 4.631 30 10 CJEE C#Cc1cccc(NC(=O)[C@@H](CC2CCCCC2)C(C)C)c1 1357413421 SYMSHZDJOYVJRL-IBGZPJMESA-N 297.442 4.849 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1 1439933415 VHEHIBXGKZGGAF-UHFFFAOYSA-N 297.373 4.775 30 10 CJEE C=CC[C@H](C(=O)N1CCC(C(C)(C)C)CC1)c1ccccc1 1447752696 MQQNYKGLKCCILV-SFHVURJKSA-N 299.458 4.631 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1cc2ccccc2o1 1459155258 ZUZLQWVREZHIBQ-ZDUSSCGKSA-N 284.355 4.805 30 10 CJEE C=CCC[C@H](CC)N[C@H]1C[C@H](c2ccccc2C)C1 1462180151 BRVPMLNXVQKBMA-ULQDDVLXSA-N 257.421 4.575 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(Cl)cc1F 1462564304 QGDATCMKFQTYON-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCC[C@H]1C=CCC1 1466315607 NWWNKUUZLBOPPC-INIZCTEOSA-N 298.430 4.673 30 10 CJEE C=CCC1(CNC(=O)N[C@@H](C)CCCCCC)CCCC1 1467704323 MMMNQUPXHFZBDP-INIZCTEOSA-N 294.483 4.781 30 10 CJEE C=CCCCCCCCNC(=O)C1=CCCCCC1 1468699830 AWYGPEYWPDZAPI-UHFFFAOYSA-N 263.425 4.520 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)c1ccc(F)cc1 1473118577 MLWHUVKVLZIOJE-AWEZNQCLSA-N 287.353 4.714 30 10 CJEE C=C(C)CCNCc1cnc(-c2ccc(Cl)cc2)s1 1474154465 DBFJKVFRTFPJFH-UHFFFAOYSA-N 292.835 4.519 30 10 CJEE C=C1CCC(CNCc2cc(OC)c3ccccc3c2)CC1 1474259859 IZPNIMFICQYHDE-UHFFFAOYSA-N 295.426 4.684 30 10 CJEE C=CCC1(NC(=O)c2ccccc2C(F)F)CCCCC1 1521565767 ABBBGAMPKDGHJE-UHFFFAOYSA-N 293.357 4.633 30 10 CJEE C=C[C@H](CC(=O)NCC[C@H]1CCCC[C@H]1C)c1ccccc1 1529530825 RCKYSTQPLMJPKB-KZNAEPCWSA-N 299.458 4.679 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](c1ccccc1C)C(C)C 1530771360 FEWVPQCJRGQUCW-SFHVURJKSA-N 285.431 4.577 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 1533970565 XWIHBPNWGGRFBY-HXUWFJFHSA-N 299.458 4.866 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ccccc12 1538884508 MYFKHZWYMCKUIP-APWZRJJASA-N 293.410 4.705 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 1540751346 WUYOKIOBWVTGHM-HNNXBMFYSA-N 291.822 4.606 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(-c2ccccc2OC)c1 1543086835 RRXZNGAXSFAANP-UHFFFAOYSA-N 295.382 4.513 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCSC1 1559714216 NJXRAUIVAMHTHM-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc([N+](=O)[O-])c1C 1560755015 XUACHAHVIDRYAM-AWEZNQCLSA-N 290.407 4.518 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(-c2cccc(C)c2)c1CCC 1560797100 UVPRPPIAHXIWLG-MRXNPFEDSA-N 297.446 4.900 30 10 CJEE C#C[C@](C)(CC)NC(=O)CC1CCC(C(C)(C)CC)CC1 1569253622 LVSOQCOEZZEBMB-LADRWXRNSA-N 291.479 4.537 30 10 CJEE C=C[C@H](CC)CC(=O)NC(C)(C)c1ccc(C(C)C)cc1 1586154260 SHVIDDFRGUFVTA-OAHLLOKOSA-N 287.447 4.764 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1586392508 XMHQIEXIUPGIOX-APWZRJJASA-N 299.458 4.871 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(C)CCC(C)CC1 1597189726 BOHUUNSMFKCHLN-IPCDKGFNSA-N 299.458 4.506 30 10 CJEE C#CCCCCCCN1C[C@@H](C)C[C@H]1c1ccccc1 1617783937 QFJCFDNRRHYSEN-HKUYNNGSSA-N 269.432 4.653 30 10 CJEE C=CCCCN(CC)C(=O)C=C1CCC(C(C)(C)C)CC1 1627341544 XSIZZQPXQZKMSX-UHFFFAOYSA-N 291.479 4.964 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C(F)F)cc2)CCCC1 1627750321 QVOIZRHFBWTVSI-UHFFFAOYSA-N 294.345 4.635 30 10 CJEE CC#CCN(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1642922320 WKDIIBUYOHLPSM-QGZVFWFLSA-N 275.823 4.526 30 10 CJEE C=CCC[C@H](Nc1cc(C(C)(C)C)ncn1)c1ccccc1 1650891304 YICCMAUIDOLAKS-INIZCTEOSA-N 295.430 4.894 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cnc2c(F)cccc2c1 1651322483 SVMGEXRELZHBQK-CRAIPNDOSA-N 298.405 4.598 30 10 CJEE C#C[C@@H](N[C@H](C)CCCCCCC)c1ccc(F)cc1 1652535221 HNMXOYZHYJYXBG-CRAIPNDOSA-N 275.411 4.839 30 10 CJEE C=CCCCCCN(C)Cc1cnc(-c2ccccc2)o1 1652546405 DUVPGECKUZAQPW-UHFFFAOYSA-N 284.403 4.520 30 10 CJEE C=CCCCN1CCC(F)(Cc2ccc(Cl)cc2)CC1 1653654821 BHIMITKHQPFROV-UHFFFAOYSA-N 295.829 4.653 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC/C=C/c1ccc(F)cc1 1657665455 JDDVKXLNANXNIX-MPKNPAPTSA-N 273.395 4.563 30 10 CJEE C=CC[C@H]1N(C[C@H]2CCCCC2(F)F)CCCC1(C)C 1658466576 UANBJZIBWYZOKU-HUUCEWRRSA-N 285.422 4.879 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCC1CCCC1 1658697400 YQBBBGOOYNWSJV-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2ccc(F)cc21 1659670193 SQTDXQBPUAUNNL-FUHWJXTLSA-N 275.411 4.928 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(C)c2ccccc12 1660036426 PXBOFAUKYANQBK-KRWDZBQOSA-N 267.416 4.983 30 10 CJEE C[C@@H]1CCCC/C1=N\OCc1cc(Cl)ccc1F 1860467844 QHZOGPFISOVFDS-SBGIHMHXSA-N 269.747 4.562 30 10 CJEE CCC[C@H]1CC[C@H](CNCCCC(C)(C)C#N)CC1 1878057819 PAMCRHKHPILNKD-WKILWMFISA-N 264.457 4.512 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](COC)CC(C)C 1879012103 XVZZZQKZSIPPTB-IRXDYDNUSA-N 272.473 4.797 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C[C@]1(C)C(F)F 1883431431 CTMFVYZBVCFWLW-ZBFHGGJFSA-N 275.427 4.960 30 10 CJEE CC=Cc1ccccc1OC[C@H](CS)c1ccccc1 1911981840 GYMREEGEGJXIKU-QGZVFWFLSA-N 284.424 4.812 30 10 CJEE C=CC[C@H](C)Oc1cccc(Cl)c1[C@H](C)NCCC 1913333152 FEFYEFPWMMUZJS-STQMWFEESA-N 281.827 4.744 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc2cccnc2c1 1919516892 XROXQRLCJAXLDN-GOSISDBHSA-N 270.420 4.769 30 10 CJEE C=CCOc1ccc([C@H](O)[C@@H]2CCCC[C@H]2CC)cc1 1920027774 XTOSSKGCDCJBES-OLMNPRSZSA-N 274.404 4.501 30 10 CJEE CCCCCCC[C@@](C)(O)[C@]1(C#N)CCCC1(C)C 1921035037 XEGXMMKELYDVPI-SJORKVTESA-N 265.441 4.818 30 10 CJEE CCCCCCC[C@](C)(O)[C@]1(C#N)CCC[C@H](C)C1 1921095909 TUKMLZYPLJTFIS-YESZJQIVSA-N 265.441 4.818 30 10 CJEE SCC=CCSc1ccc(Cl)cc1Cl 1927719089 NSPFZYFUZXMBST-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE C[C@H](N(CCC(C)(C)C#N)Cc1ccccc1)C(C)(C)C 1931996028 DPQXCIKJTDIVJV-INIZCTEOSA-N 286.463 4.863 30 10 CJEE CC(C)(C#N)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 1951453754 IJXMZNBDJMALCL-LBPRGKRZSA-N 261.434 4.700 30 10 CJEE CCCCCCCN(C)Cc1ccnc2ccccc12 1963223552 YRMXZZTXHHHVBW-UHFFFAOYSA-N 270.420 4.637 30 10 CJEE CCCCCCCN1CC[C@H]2CCCCC[C@H]2C1 1966595812 HETCAJJCDUUIMW-SJORKVTESA-N 251.458 4.859 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1cc(Cl)cc(Cl)c1 1996709914 OEEGFEJGANTPON-QMTHXVAHSA-N 270.203 4.610 30 10 CJEE C=CCC[C@H](C)n1c(S)nc2cccc(Cl)c21 2002053798 VRAMTONVPJIFQU-VIFPVBQESA-N 266.797 4.506 30 10 CJEE C=CCCCCCNc1cc(F)c(F)cc1Cl 2003035041 RTQIBKJSCFCFCV-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE CCCCCC#CCOc1cccc(F)c1Br 2024412750 HHYFMFJPEUNREK-UHFFFAOYSA-N 299.183 4.551 30 10 CJEE N#C[C@]1(Cc2cc(Cl)ccc2Cl)CCC(F)(F)C1 2030369515 TYJQURWCBYJBED-LBPRGKRZSA-N 290.140 4.865 30 10 CJEE CC1CCC(C=O)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 2031825763 JWPCQMHSTUGUQU-LJEMCRLJSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnsc1C 2033235793 FGLVWGXNJQQOQV-HNNXBMFYSA-N 268.470 4.853 30 10 CJEE C=CCC[C@H](C[C@@H]1CCCC(F)(F)C1)NCCC 2043194160 KHGQNSRPTXOUQY-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2045810987 SGKQDPGEAKQNPL-LLVKDONJSA-N 277.355 4.774 30 10 CJEE 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263.469 4.622 30 10 CJEE C=CC1(C[C@@H]2[C@H]3CC[C@@H](C3)C[C@@H]2NCCC)CCC1 2111719165 MVIMMPPSIDTVSS-NXOAAHMSSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@](C)(N)[C@H]1CCCOC1 2112054089 HZAZTOWEABYCPO-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCC(C)(C)N(CCC#N)Cc1ccc(Cl)c(Cl)c1 2114335858 VCILKHKZVWRUMH-UHFFFAOYSA-N 299.245 4.898 30 10 CJEE N#C[C@]1(c2ncc(Cl)cc2Cl)CCCCC12CCC2 2116989764 GZFGINZXSBQMLU-HNNXBMFYSA-N 295.213 4.894 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2122685084 MHOZMWFNFDXUKW-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1CCCCC1(F)F 2123090142 YOCFAJPJAINJFW-CABCVRRESA-N 273.411 4.927 30 10 CJEE FC(F)c1ccc(NC(C(F)(F)F)C(F)(F)F)cc1 2127553264 NDNVZFJLJZBDTH-UHFFFAOYSA-N 293.157 4.529 30 10 CJEE CCCCCCCCC1(C(=O)O)CC2(C1)CC21CC1 2127558325 QMTPCIOGAOWJQF-UHFFFAOYSA-N 264.409 4.772 30 10 CJEE CC[C@@](C=O)(C[C@H]1CC12CCC(F)(F)CC2)C(C)C 2127933999 OJSMSSLCMGBWOT-KBPBESRZSA-N 272.379 4.843 30 10 CJEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1 2128005997 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C=CCCCCCCC=C1CCC[C@H]2CNCC[C@@H]12 2227290050 YGIOUCOMZUGUEX-ROUUACIJSA-N 261.453 4.849 30 10 CJEE C=CCCCCCCC[C@@H](CC1CC(CC)C1)NN 2227290798 KMCVYUMTLZBRMB-JCYILVPMSA-N 266.473 4.561 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(Nc2ccccc2)C1 2229848360 CWDYMTILUUJOEC-YOEHRIQHSA-N 256.393 4.597 30 10 CJEE C#CCCCCC[C@H](CCCC(F)(F)F)NCCC 2229865031 JNIVLOKITFMDJM-CQSZACIVSA-N 277.374 4.671 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@H](C)N1 2231007626 BIOHCNMPLZATAN-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@](C)(O)C#Cc1cccc(Cl)c1 2231009704 WBUSAPWDHLPARF-KRWDZBQOSA-N 278.823 4.803 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](NC)[C@H]1C 2231023278 BRVHTZCENZMECK-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CNCCC 2231078581 FTHBARLVFKOQDE-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE O=C[C@]1(CCCC(F)(F)C(F)(F)F)CCCC12CC2 2231772793 BPHLCSALYHAFSP-LLVKDONJSA-N 284.268 4.504 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@]2(CC[C@@H](C)C2)CO1 2231857664 SXULGYUKLFLOCK-BRWVUGGUSA-N 267.457 4.632 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H](COC)C(C)C 2231902693 FWWCAEUEFBMMCK-IAGOWNOFSA-N 272.473 4.797 30 10 CJEE C=CC[C@H](C)O[C@@](C)(CCCCCCCC)C(=O)O 2231904480 YXKDCRMIWKKYMS-HOCLYGCPSA-N 270.413 4.562 30 10 CJEE CCCCCCCCCNC[C@@H]1OC[C@H]2CCCC[C@@H]21 2233201354 BOBOWRIRAILLBL-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCC(=O)C1(CCC)CC(N)C1 2233464139 UENKUWZRXFVUMJ-UHFFFAOYSA-N 281.484 4.994 30 10 CJEE C=CCCCCCCCCOC[C@@H](NCC)[C@@H](C)CC 2234042788 GMBCUHFDNSCMAG-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCNC[C@@H]1CC2(CCCCC2)O1 2235524178 NQUKLAMOMIHVJT-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCC(F)(F)[C@H]1N 2239467952 LUTIHLCRSOYDFA-CABCVRRESA-N 291.426 4.659 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CCC12CCC2 2239531484 SMJVKNQHUXMMCC-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE CCC1CCC([C@@](C)(N)C#Cc2cccc(Cl)c2)CC1 2239563608 ODEMWPUCCCVTPZ-PVARCSIZSA-N 289.850 4.625 30 10 CJEE C=CCCCCOc1cccc(CN[C@H](C)CC)c1Cl 2240196512 XTJFKPXXTJUUIY-CQSZACIVSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1CC[C@H]2C[C@H]1CO2 2240629468 SSHXDWZVVKACJA-XSLAGTTESA-N 282.468 4.693 30 10 CJEE C=C(C)CCCCN(CC)CCCOCc1ccccc1 2241935360 NOWYXKINGRBBLQ-UHFFFAOYSA-N 289.463 4.662 30 10 CJEE C=CCCCSc1c([N+](=O)[O-])ccc(Cl)c1Cl 2250064115 ZMZRGCYRJNCCHR-UHFFFAOYSA-N 292.187 4.960 30 10 CJEE Cc1cc(NCC#C[Si](C)(C)C)c(Cl)cc1Cl 2252645229 KBSWEHDEKBFTDY-UHFFFAOYSA-N 286.278 4.595 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCC[C@@H]1C(C)C 2259193363 OZTDFIURLVOUIG-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H](CC)CCC)CC1 2259438815 RJZXUAVOCCHQDR-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCCCCN(C)CC1CC(CC(C)(C)C)C1 2261267638 PCSUPEPIOCFDKG-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1cc(Cl)cs1 2261474363 UCYRZQRXNHWWNV-LBPRGKRZSA-N 288.840 4.696 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)COC 2263716503 BTZSASIDBIZSQW-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCC#CC[C@H](C[C@H]1CCCCC12CC2)NCCC 2264902061 HUTLUCZDYLHMBI-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264915962 SRARBLHAFHJWHS-SYQHCUMBSA-N 277.374 4.545 30 10 CJEE N#C[C@H](CSCC1CC2(CCC2)C1)c1ccccc1 2268488097 YDZXSLMTYQQFIJ-MRXNPFEDSA-N 271.429 4.607 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CCCCCCCC1 2268741881 KKSOARZBPHBTMI-UHFFFAOYSA-N 261.453 4.814 30 10 CJEE CC1=CCC[C@@H](C)[C@H]1C(=O)CC=CC#CC(C)(C)C 2268748091 LRMHVZWMUBWVNT-WBVHZDCISA-N 258.405 4.544 30 10 CJEE CC[C@H]1CCC[C@@H]([C@@H](N)CC=CC#CC(C)(C)C)C1 2268764028 XJLQEYPYNSOHFD-BBWFWOEESA-N 261.453 4.526 30 10 CJEE C[C@H]1C[C@@H]1CCCCOc1cc(Cl)c(C#N)cc1F 2268801237 QQWCZJJBHUPUDU-QWRGUYRKSA-N 281.758 4.556 30 10 CJEE C=CCCCSC[C@@H](NCC)c1ccc(CC)cc1 2271486134 UKPUQRFRTKZCPF-QGZVFWFLSA-N 277.477 4.599 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(C(F)(F)F)c1 2271787465 GXGXGAYSWMMBBR-CQSZACIVSA-N 272.310 4.875 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(Cl)cc1OC 2271791458 MDEWXAGQYXDULW-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE C=C[C@H](C)C[C@H](C[C@]12CCCC[C@H]1CC2)NCCC 2273431250 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274.452 4.876 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2287465952 DDQSLPKHSOOTQB-VGWMRTNUSA-N 285.422 4.782 30 10 CJEE C=C[C@@H](C)CCNC1CCC(C)(c2ccccc2)CC1 2288684763 WTKMUSILIBXJBK-IPJUCJBFSA-N 271.448 4.689 30 10 CJEE CN(C[C@@]12CCCC[C@@H]1CC2)c1cccc(Cl)c1C#N 2289086200 OUUNULWTJZUZFS-DYVFJYSZSA-N 288.822 4.618 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1CC(C)(CC)C1 2289859774 OEOLVUQKCCSPJA-JLAWEPINSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC(C)(C)[C@@](O)(C#Cc2ccc(Cl)cc2)C1 2290277540 AYNZMDRHZDEKHM-GOSISDBHSA-N 290.834 4.659 30 10 CJEE C=C1C[C@@H]1C[C@H](CCCCCCCC)OCCC(=O)O 2290999177 WMFMHOHPCDRWRA-CVEARBPZSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@@](CC)(OCCC(=O)O)c1cccs1 2291467603 NRKFZALXTCPQLH-MRXNPFEDSA-N 296.432 4.591 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)c1ccc(CC)s1 2292714297 QRMIWXDFQKYHAB-CQSZACIVSA-N 296.432 4.589 30 10 CJEE C=CCCCCC[C@](CC)(OCCCN)c1ccsc1 2292898520 MXKCAIYSIJUIRN-KRWDZBQOSA-N 295.492 4.855 30 10 CJEE C=CCCCCC1(OCCN)CC2(CCCCCC2)C1 2293270606 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CJEE CCCCCCCCCC(=O)[C@@]1(O)CCC[C@@H]2CC[C@@H]21 2355230938 OXDDGOCMFHECLE-SOLBZPMBSA-N 280.452 4.637 30 10 CJEE CN(CC[C@@]12CCC[C@@H]1C2)CC1(CS)CCCCCC1 2356024166 SQJDTVXNYRRJCH-SJLPKXTDSA-N 295.536 4.769 30 10 CJEE C=CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2358321617 BKBHCZHSFNWURY-VMXHOPILSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 2359212813 QNFDMJOMJRQLKL-RHQZKXFESA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)OCCN 2360055597 VFPYJHDLYJKNFY-IXDOHACOSA-N 283.500 4.763 30 10 CJEE CCN(c1ccccc1C#N)c1cccc2ccccc12 21806151 NCTMEGSMKGTGJR-UHFFFAOYSA-N 272.351 4.869 30 10 CJEE C/C(=N\c1ccccc1)c1ccc(Br)cc1 32301947 TYORFOGRZSXPPZ-LFIBNONCSA-N 274.161 4.590 30 10 CJEE C[C@H](CCc1ccco1)Nc1ccc(C(C)(C)C#N)cc1 36922339 NLPWJDRVZSTFKG-CQSZACIVSA-N 282.387 4.514 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)cc(F)c2C)c(C)c1 37089301 OPMPOHRQAJZJMF-CQSZACIVSA-N 282.362 4.796 30 10 CJEE C#Cc1cccc(N[C@H]2CCCC[C@H]2c2ccccc2)c1 37185209 QOWNLKSDYBXJIC-PMACEKPBSA-N 275.395 4.806 30 10 CJEE CCCOc1ccc(/C(C)=N/c2ccccc2)cc1 39433854 WJAHDAPKRRMKHD-NBVRZTHBSA-N 253.345 4.616 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1cccc(Cl)c1C#N 49943004 OPJAMXVYRLVKKV-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#C[C@H]1CCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 54824729 LHTCMINDADXYBE-RDDDGLTNSA-N 289.593 4.751 30 10 CJEE CCCCCCCCNc1cc(C(=O)OC)c(F)cc1F 59462175 PSJAGXKRVAUYKA-UHFFFAOYSA-N 299.361 4.524 30 10 CJEE N#C[C@H]1CCCC[C@H]1c1c(Cl)cccc1Cl 62625238 XKLPYYKEMLQFJQ-NXEZZACHSA-N 254.160 4.791 30 10 CJEE N#Cc1cc(Oc2ccc(F)cc2Cl)nc2ccccc12 68796659 WHHPOIUIDMZVBM-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE C[C@H]1CCCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 70409550 GJDSZJARUHOUBI-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE N#Cc1cccc(Cl)c1SCc1ccccc1 71766078 XETCVOLKKPRDOY-UHFFFAOYSA-N 259.761 4.504 30 10 CJEE C=CC[C@H](Sc1nc(C)cs1)c1ccccc1 72262770 LBDBSBJVVPRUHY-ZDUSSCGKSA-N 261.415 4.861 30 10 CJEE CC(C)(C)c1csc(NC(=O)Nc2ccccc2)c1C#N 75296901 LOSQLHZFYKARKA-UHFFFAOYSA-N 299.399 4.561 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2cccc(C#N)c2)CC1 86922575 WGDWITASYZMCTN-HOCLYGCPSA-N 256.393 4.719 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCOc2ccccc2)C1 87972942 BQTSMSAPSNSAFL-WBVHZDCISA-N 257.377 4.566 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87973388 YNMVPDBVHMXHKS-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE Cc1cc(C)c(C[C@]2(C#N)CCc3ccccc32)c(C)c1 87998069 HXCZIRINNJZVSG-FQEVSTJZSA-N 275.395 4.562 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCC(C)(C)CC2)c(C)s1 91884142 SQGGHDSXULSQSZ-AWEZNQCLSA-N 277.433 4.509 30 10 CJEE CC(C)Cc1ccc([C@@H](C#N)Nc2ccccc2F)cc1 94896925 WSPWEPMWVWNWFZ-GOSISDBHSA-N 282.362 4.701 30 10 CJEE C=C(CC)C[C@@H](CCc1ccc(C)cc1)NCCC 97284091 IJHMPPQBTNEOQQ-GOSISDBHSA-N 259.437 4.652 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1)C2 100845625 SJIPYFPPUDTMRD-MOMDUKOGSA-N 289.806 4.767 30 10 CJEE CCCCCCCNc1cccc(C(=O)OCC(C)C)c1 106350096 ZSGDTBQBVQOCRW-UHFFFAOYSA-N 291.435 4.882 30 10 CJEE CCCCCCCn1cc(CCCO)c2ccc(C)cc21 107046150 HOCPNWMPXPUKFP-UHFFFAOYSA-N 287.447 4.845 30 10 CJEE CCCCCCCCOc1cc(OC)ccc1CNCC 110095039 DQAJDYSXYCZMOI-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CCN(C)C 110166912 KBYYRIHWIHMEOT-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCc1cccc(CC)c1N[C@@H]1CCCCC[C@@H]1C#N 110168373 PGWFPTSBOJBHLE-IAGOWNOFSA-N 270.420 4.696 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CCCc2ccccc21 110518095 WPQDDBFCXXHUSK-SFHVURJKSA-N 274.404 4.706 30 10 CJEE CCCCCCC[C@@H](NC)c1nccc2ccccc12 111932173 WBSNNTIKENWZFA-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE CCCCCCCCCCCCn1ccc(CNCC)n1 112934454 CHOQRZDYFWFAGR-UHFFFAOYSA-N 293.499 4.914 30 10 CJEE CCCCCCCCCCNC[C@@]1(O)CCC[C@@H](C)C1 115638291 WRSPJSYUTPMLPN-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)C[C@H](C)O2 115859951 AYFCIAHUIYMLBM-YOEHRIQHSA-N 276.420 4.794 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CCOc2ccccc21 123064107 HIMUFQDVHBNDIQ-CVEARBPZSA-N 275.436 4.631 30 10 CJEE CCCCCCC[C@H](O)c1cc2cc(F)ccc2o1 124170646 NHBOJXHQJKCAKE-AWEZNQCLSA-N 264.340 4.966 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)CCO[C@H]1C 125576389 QCYKDWAKORWYSR-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@H](N)c1c(Cl)cnn1CCC 127476438 CBFMJWBRSWXNQU-CQSZACIVSA-N 285.863 4.697 30 10 CJEE CCCCCCCCCCNCc1cnn2ccccc12 129242449 MSRFGSDRFWMGAK-UHFFFAOYSA-N 287.451 4.565 30 10 CJEE CCCCCCCCCCNC(=O)C(C#N)(CC)CC 129329801 RUORUWHRMDCKPG-UHFFFAOYSA-N 280.456 4.573 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)cn1 129522491 LKSDUFQASIVAMJ-MRXNPFEDSA-N 297.874 4.770 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1cc(C)cc(C)c1 133090171 HTFGBRKENIOHPE-LJQANCHMSA-N 291.479 4.941 30 10 CJEE C=C(CN[C@H](C)c1cccc(Cl)c1)c1ccccc1 134360067 XNTODLQAENUGLS-CQSZACIVSA-N 271.791 4.704 30 10 CJEE CCSc1cccc(Nc2ccccc2F)c1C#N 136612717 RZOLFKKEYKJOOI-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE N#CC1([C@H](O)CC2CCCCC2)CCCCCCC1 159015050 LUHBLMUYTZMACL-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCCNC(=O)N1CCC[C@H](C)C1 160690476 PROJZRQZAKEGDV-INIZCTEOSA-N 282.472 4.569 30 10 CJEE CC(C)(C)[C@H]1CCN(CC2(CS)CCCCCC2)C1 163652843 VEJWNRJUZJJVQH-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)cc(Cl)c1 167679133 HCQCPEDRCISLNQ-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCC[C@H](O)c1ccc(Cl)cc1OC 168212329 DBEWBPLZQNGFCN-AWEZNQCLSA-N 270.800 4.743 30 10 CJEE CC(C)C[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 168281039 AITJXFCWBVKZTK-SFHVURJKSA-N 282.362 4.897 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCCN1 169018152 MJOYOZSFJRSSMU-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@H]1CC1(Br)Br 216682552 GSJKRCVOOHLKNP-VIFPVBQESA-N 298.062 4.853 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(C)C)cc2)C1 218350639 RSRKUYVSOUKOCY-AYOQOUSVSA-N 285.431 4.954 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cn(C)nc1C 227450917 ANFGVYPKKQCBCV-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE CC(C)(C)c1ccc(CC(=O)C2=CCCCC2)cc1 232524104 YMXLDGLCZUZYEA-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE C=CCCCCCC(=O)C1(OCC)CCCCCC1 233733906 JFHWNEQIFGJOII-UHFFFAOYSA-N 266.425 4.822 30 10 CJEE CCSc1cccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 252828270 WAIHYKRFKTVGDR-WDNDVIMCSA-N 288.460 4.907 30 10 CJEE CCC(C)(C)c1ccc(OC)c(C(C)(C)CC#N)c1 260575365 NFWWOIMLDDIANY-UHFFFAOYSA-N 259.393 4.574 30 10 CJEE N#C[C@H](c1c(F)cccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 302334826 ILRFSGLVWKZTHC-BJDJZHNGSA-N 263.743 4.522 30 10 CJEE N#CC1(Cc2sccc2Cl)CCCCCC1 304542152 KXLKNBZGJGJOLN-UHFFFAOYSA-N 253.798 4.808 30 10 CJEE C=C(C(F)(F)F)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307870980 BRGXMDLPAMVZJZ-LLVKDONJSA-N 299.119 4.710 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)c(C)s1)C(F)(F)F 311197169 ISUXTLLYMVYTFF-GFCCVEGCSA-N 277.355 4.524 30 10 CJEE Cc1cccc(Cl)c1Nc1nc(C)c(C#N)cc1Cl 311765508 WYYKYGLDMDCHLR-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc2ccccc2o1 312200601 GBAYUTNYTLHBLS-OAHLLOKOSA-N 269.388 4.523 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccc(C)c(C)n1 315919928 PFMOLBWWNVSJLX-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C=O)CCCc3ccccc32)C1 316516626 XUUIKTMXDCHEAU-AYBZRNKSSA-N 270.416 4.676 30 10 CJEE C[C@H](CC1(C=O)Cc2ccccc2C1)C1CCCCC1 316923303 DLNYVHYEZKKIOC-OAHLLOKOSA-N 270.416 4.577 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1csc2ccccc12 317084097 AEFHBMFOUBPTFT-GUYCJALGSA-N 272.413 4.839 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1c(Cl)cccc1Cl 319938930 SFMBALFJAMKKDP-ZJUUUORDSA-N 256.176 4.893 30 10 CJEE C=C([C@H](NCCC)C1CCC(C(C)C)CC1)C(F)(F)F 380190720 STQZDSSIBYYARX-NRXISQOPSA-N 291.401 4.936 30 10 CJEE CCCNC[C@@H]1CC[C@H](CC)C[C@H]1CC#CC(C)(C)C 383588086 JZBUAAUPPBGWOO-KSZLIROESA-N 277.496 4.868 30 10 CJEE C=CCSc1ccccc1NCCC(C)(C)SC 385312199 NQXKEMPEZCPKBO-UHFFFAOYSA-N 281.490 4.908 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@@H](C)C1CCCCC1 387138347 IMTQUQJGBGJEJI-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CC(C)(C#N)CCCCNc1ccsc1Cl 387330161 DZLPNFJIZRHQBH-UHFFFAOYSA-N 256.802 4.533 30 10 CJEE C=CCCC[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl 398097052 RDMPAURCEAVSDG-VIFPVBQESA-N 292.732 4.911 30 10 CJEE C=CCCc1ccccc1NC(=O)c1csc(Cl)c1 410351861 YFOFSOISEJBNSD-UHFFFAOYSA-N 291.803 4.772 30 10 CJEE CC[C@@H](NC1CC(c2ccccc2)C1)c1ccc(C#N)cc1 467445682 BDIPGLBAJAMQPY-SOAGJPPSSA-N 290.410 4.545 30 10 CJEE FC(F)c1ccc(C(F)(F)F)c(C(F)(F)F)c1 575341537 BSNXPVIZWPGHFE-UHFFFAOYSA-N 264.115 4.662 30 10 CJEE C#CCCCCCSc1cccc(CNCC(C)C)c1 686702955 WUECPRCRWFUHOH-UHFFFAOYSA-N 289.488 4.718 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC[C@H]2CCCO2)C1 688005657 LXJMYJQTOHEGHV-HNNXBMFYSA-N 280.452 4.757 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C[C@H]1CCCO1 689776493 FUFQLWCUPYQECA-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1c(F)cccc1F 692233453 AZYMUJLJPPGCMS-XJKCOSOUSA-N 279.374 4.750 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H](C)CC2CCCCC2)N1 694631867 VNVUGBXRDICWSJ-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)c2ccccc21 695731155 SMNGIVGBMDEPOP-PIGZYNQJSA-N 282.774 4.872 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC(F)(F)F)c1ccccc1 701921396 WUCRYLSOGZVNMX-AWEZNQCLSA-N 285.353 4.872 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C=O)CCCc2ccccc21 703892234 MJCAIZZGTWILAS-BEFAXECRSA-N 272.432 4.922 30 10 CJEE N#Cc1cccc(Oc2cccc3sccc23)c1 705103618 HEDWAXXRGDKFHJ-UHFFFAOYSA-N 251.310 4.565 30 10 CJEE Cc1nc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(Cl)cc1C#N 708333545 ZCOSURZMJCRNKC-GXFFZTMASA-N 291.826 4.542 30 10 CJEE C=C1CCC2(CC1)CCc1cc(Br)ccc12 709894159 ULQCSTFYXFBRMU-UHFFFAOYSA-N 277.205 4.763 30 10 CJEE C=CC[C@H](C)C1(CNCC)CCC(C(C)C)CC1 715807560 QBLXJURVALAKFS-GTPINHCMSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@H](CCOC1CC1)NCCC 716861549 SXKMESKUJBKOHT-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCO[C@H]1CCCCC(C)(C)[C@@H]1NC 719225186 VVTPDWMIERIKPA-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC1(CC)CC 721492639 PEUPWEMYXGAJNH-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCN[C@H]1CCO[C@@H](C(C)(C)C)C1 721800077 IJWKVBGXRSUDCF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CC[C@@H]1OC 724210130 OFBKYHGGXBPDJO-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C[C@@H]1CC(C#N)(CC/C=C\c2ccccc2)C[C@@H](C)O1 724231157 YMKDFVOBMPAGKW-KETLTQCKSA-N 269.388 4.577 30 10 CJEE C=C1CCC(CNC[C@H](c2ccccc2)C(C)C)CC1 724451978 TUCPJSYTNJUNKI-IBGZPJMESA-N 271.448 4.762 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@H](C)O[C@H](C)C1)NC 724496188 BLQPSSLEBSSJGT-YVSFHVDLSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)CC[C@H](CC)C2)CC1 724553157 GAPGRVWVGJZQSH-FUHWJXTLSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H](CSc2ccccc2)NCC)CC1 724574849 GWDIMGHGPUSZNC-KRWDZBQOSA-N 289.488 4.893 30 10 CJEE C=C1CCC(C[C@@]2(CNC3CC3)CC[C@H](C)C2)CC1 724611466 WXTKQRHKDCQXKJ-MAUKXSAKSA-N 261.453 4.681 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(OC(C)C)cc1 821220546 MGRWUVMVQQQNNC-FMQUCBEESA-N 297.398 4.805 30 10 CJEE Cc1ccc(C)c(N=Cc2c(C)n(C)c3ccccc23)c1 1084627226 UJTAQWCHXSVVFB-UHFFFAOYSA-N 276.383 4.854 30 10 CJEE C=C(C)CCN[C@@H](CC(F)(F)F)c1ccc(C)cc1 1168969217 VKLMRJKLTDXQDL-AWEZNQCLSA-N 271.326 4.544 30 10 CJEE C=CCCCCCN(C)Cc1cncc(Cl)c1Cl 1180199748 XGXQTSIFOCBOEF-UHFFFAOYSA-N 287.234 4.567 30 10 CJEE C=CCCC(C)(C)NC/C=C\c1cc(C)c(C)cc1C 1203227713 FDAXKIAZFFVAIC-KTKRTIGZSA-N 271.448 4.959 30 10 CJEE C=C(C)c1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 1203960553 FFWVPPJCFIMCLO-UHFFFAOYSA-N 282.343 4.548 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 1220335484 VXACIZSUVWUVQP-ZWKOTPCHSA-N 298.430 4.810 30 10 CJEE C=CC[C@H]1CCN1[C@@H](C)c1ccc(Cl)cc1Cl 1308141995 RLXMSUUHUVBVKF-JQWIXIFHSA-N 270.203 4.705 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(Cc3ccccc3)CCC2)C1 1308313396 CEDXTKONWUDKNF-MJGOQNOKSA-N 283.459 4.734 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CCC)CCc2ccccc2)CC1 1354233661 GJMLTVRVWVEBSB-IBGZPJMESA-N 299.458 4.651 30 10 CJEE CSc1ccccc1COc1ccc(C#N)c(Cl)c1 1459035405 HFHRCXLQXHHXLN-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE C=CCN(CC1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1 1459477300 CLWRKJOWOAYVBI-OALUTQOASA-N 287.422 4.750 30 10 CJEE C=CCC1(CN[C@H]2CCC(C)(C)C[C@H]2C)CCCC1 1462235748 WMDHUHIDVMVBOE-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CCCCCCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 1473431860 HUILTKUHMAVKEI-HKUYNNGSSA-N 271.448 4.919 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 1473628081 ZPINCPVXXLGHBV-RLLQIKCJSA-N 299.458 4.585 30 10 CJEE C#CCCCCCCN1CCCC2(CCCC2)CC1 1473636601 DITNCNUVQVBCJC-UHFFFAOYSA-N 261.453 4.616 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@@H]1c1ccccc1 1474695974 AJQOEXMQSSTFEZ-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(Cl)ccc1OCCC 1527423297 DIAIXQDFDJHYTQ-MRXNPFEDSA-N 295.810 4.670 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCCC1(C)C 1530115892 KSJAYIOIKHOUQH-MRXNPFEDSA-N 285.431 4.960 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc2occc2c1)c1ccccc1 1532064004 PDRUUMWZLDPUAU-CQSZACIVSA-N 291.350 4.731 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 1534846064 ZGJWUILNTKRESU-GJZGRUSLSA-N 273.420 4.675 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)C(CC)CC 1539035792 NJUKWZDYVCSVEV-MRXNPFEDSA-N 287.447 4.664 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)C[C@H]1c1ccco1 1559563214 QRCLZBRLSDDBHZ-SJORKVTESA-N 273.420 4.636 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2ccc(Cl)cc2)C1 1559983485 SHTRPGGYHYIRNA-KBPBESRZSA-N 263.812 4.689 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C)cc1Cl 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118173090 YGHNPVDRJKEOMC-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCCn1cccc1[C@H](C)N 118237857 JHQWJMVPXCZLJY-HNNXBMFYSA-N 250.430 4.649 30 10 CJEE CCCCCCCCC[C@H](NN)C(C)(C)c1ccccc1 126134353 WQRIASPBSWRKCU-SFHVURJKSA-N 290.495 4.937 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1cc2ccccc2s1 126377240 ZYWIWSGZFMYTBB-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE CSc1cccc(N[C@H](C)c2ccsc2)c1C#N 128325960 QOYKQGQWNYPRMZ-SNVBAGLBSA-N 274.414 4.515 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](OC)C1CC1 129460581 PDADXEQWAJHDCR-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H](CC)OC 130836970 XBQISIRUKOTJDZ-IAGOWNOFSA-N 286.504 4.554 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1C(=O)O 131226206 DQLCHBVMAOCPKU-ZNMIVQPWSA-N 254.414 4.874 30 10 CJEE CCn1c(-c2cc(C)cc(Cl)c2)nc2cc(C#N)ccc21 134144979 GPIOOWNPKLSOBQ-UHFFFAOYSA-N 295.773 4.557 30 10 CJEE CCCCCCCCOc1ccc(C[C@@H](C)NC)cc1 135355198 ZGRMBYARLSJMNL-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CCCCCCCC[C@@H](CCc1ccco1)NC 140333348 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CJEE C=CC[C@](C)(CC)[C@@H](CCC(C)(C)OC)NCCC 2344379895 PRUVXLAYXPBSPG-WBVHZDCISA-N 269.473 4.552 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2CCC[C@@H]2OC(C)C)C1 2344874985 RCIHOISFJUXZCI-NCOADZHNSA-N 263.425 4.690 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C=O)CCCC(F)(F)C2)C1 2344888172 HJCOXEULNMDGIG-UKRRQHHQSA-N 272.379 4.988 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NCCC(C)(C)C#N)c1Cl 2353024237 LLHUYDNZWAIUNG-LLVKDONJSA-N 299.245 4.892 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@@H](CC)CCC 2353459042 BBHIEVSTMNATTH-HOTGVXAUSA-N 270.457 4.883 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H](C)c1ccc(Cl)cc1 2353843502 SQDVLZHQJCNBJT-UONOGXRCSA-N 299.911 4.925 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](C)N1 2355522535 CHCDMVYUTJFSGH-OKZBNKHCSA-N 283.500 4.799 30 10 CJEE CC(C)(C)c1ccc(C(=O)/C=C\c2ccccc2)cc1 35189691 GTDUCEPPMPBWKM-ZROIWOOFSA-N 264.368 4.880 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 36922337 OOWVDRRAKAQNEU-CYBMUJFWSA-N 282.362 4.800 30 10 CJEE CSc1ccc([C@@H](C)Nc2ccc(CC#N)cc2)cc1 37071346 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GTOHBXWPLKLUEG-NTZNESFSSA-N 296.336 4.814 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc3c(c2)CCC3)C1 87972536 PEDVASJHLZXGBT-HNAYVOBHSA-N 267.416 4.828 30 10 CJEE C=C[C@@H](OCc1ccccc1)c1ccccc1-c1ncc[nH]1 89202695 VEOZWSXAEVHZGV-GOSISDBHSA-N 290.366 4.521 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCC[C@@H](CC)C2)CC1 91885941 LFDSVVWFRKKHMN-AQEOSJORSA-N 277.452 4.818 30 10 CJEE N#C[C@]1(C[C@H]2Cc3ccccc3S2)CCc2ccccc21 92273632 JUXKEEPZCCYFLP-VQIMIIECSA-N 291.419 4.501 30 10 CJEE CCC(CC)(CS)CN1CCC2(CCCCC2)CC1 94579370 ZTXDJPLXTXFSCZ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCC[C@@H](CS)CN(CCC(C)C)C1CCCC1 94853865 ILASLHIAMKPTEG-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(F)cc1 103932149 DYSUHCFJGMQVQE-MRXNPFEDSA-N 251.389 4.750 30 10 CJEE CCCCCCCOCc1cccc(Br)c1 104151357 YYUOCTUEEYGLPD-UHFFFAOYSA-N 285.225 4.936 30 10 CJEE CCCCCCC[C@@H](CC(F)(F)F)NCCC 107686729 BUAFMIZWHKRUEO-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@@H](CCC)NCC 110083820 WSHOULSFNSYFMW-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCOCCNc1ccccc1C 110239633 LRAOVTAMAPGGKH-UHFFFAOYSA-N 263.425 4.784 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc(Cl)c1 110446378 POSKQFXBQSGTGA-OAHLLOKOSA-N 253.817 4.874 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1ccc(F)cc1C#N 111036865 WZIYDPHDNFYXOS-SRCQZFHVSA-N 275.367 4.537 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCCNC1 113276448 SANMURRWIQXRSH-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(C)ccc1C 115063811 GBKYIFWHMVTOLO-GOSISDBHSA-N 261.453 4.924 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NC[C@@H]1[C@@H](C)CC 115235113 MNBQYOMIMWWWJE-IPMKNSEASA-N 296.543 4.691 30 10 CJEE CCCCCCCSc1cccc(CNCC)c1 117891061 AFMUINZJCJOQFC-UHFFFAOYSA-N 265.466 4.859 30 10 CJEE CCCCCCC[C@H](C(=O)O)c1ccccc1Cl 118861736 CYRZXOWFZQXYJZ-ZDUSSCGKSA-N 268.784 4.869 30 10 CJEE CCCCCCCCOCC[C@H]1CCC[C@H]1NCCC 126489730 HHSPRIFWSGSBMP-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc2sccc2s1 131284410 CPKJPDXRUKFBLD-CYBMUJFWSA-N 251.420 4.580 30 10 CJEE CCCCCCCCC[C@H]1CSC[C@@H]1NCCC 134624088 CDLPFRYFVFWPNU-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCC(=O)c1ccc(OC)cc1N 158042670 GENGWXSRJJGKGE-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@@H](C2CC2)C1 160816411 YEALFFIPRJCOBZ-IAGOWNOFSA-N 251.458 4.905 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2cc(Cl)ccc2F)CC1 165712339 YTEWWPHCAFTDDB-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE CCCCCCCC(=O)Cc1ccn(C(CC)CC)n1 166221917 VBYYJNJTSBMGEA-UHFFFAOYSA-N 278.440 4.716 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2c(C)cccc2C)CC1 215629355 QLKYTCNYXMTHGL-AVAKVYKDSA-N 285.431 4.837 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2c(F)cccc2Cl)C1 218338739 DXGLXEKAQPEZBX-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccn([C@H](C)CC)n2)C1 227373798 ITGPSVCMYFGNFB-BFYDXBDKSA-N 273.424 4.507 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccccc2C2CC2)C1 227629796 DZOYYMZJPIGEND-CCKFTAQKSA-N 283.415 4.708 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC(C)C)c(Cl)c1 228822114 LBORJBMSASUCQY-GFCCVEGCSA-N 267.800 4.894 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2ccccc2O1 229397969 WPBFSCVQEZQYAU-DOTOQJQBSA-N 262.393 4.622 30 10 CJEE CC(C)(CCC#N)CNc1cc(C(F)(F)F)ccc1F 229695584 AKWDTKQLKQIRRR-UHFFFAOYSA-N 288.288 4.586 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C)cc1Br 229755157 LHETXRYWVVOIHX-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OC2CC2)c1 230013833 MFYQRDUWKZJFBJ-QGZVFWFLSA-N 262.393 4.622 30 10 CJEE CCCCCCCCCc1nc(C(C)(C)C)n(C)c1N 232958433 HODZDJSFPNLYRC-UHFFFAOYSA-N 279.472 4.593 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 252906508 URNOHXZFDCHCHO-HAGHYFMRSA-N 285.475 4.911 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1C[C@H]1c1ccccc1 253047669 RAJOUYLPDIAMOC-KSZLIROESA-N 257.421 4.515 30 10 CJEE CC(C)(C#N)C[C@@H]1CCCC[C@@H]1[C@H](F)C(F)(F)F 261164133 WXOQGYCCBZHAFZ-DCAQKATOSA-N 265.294 4.633 30 10 CJEE CCCCCCC[C@@H](C)N(CCCC)C[C@H]1CCCN1 300188973 AINNEDCHNSVDLD-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 302344887 HYLJYOIVAFUKJS-SECBINFHSA-N 276.182 4.749 30 10 CJEE CCCCCCCCCC[C@H](O)C1(SC)CC1 302349197 AAZGVCWPLHOCDO-AWEZNQCLSA-N 258.471 4.774 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2sccc2Cl)C1 304531752 IVISUUMNBYOQQM-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)[C@H](CCC)CC(C)C 308079459 YQCKPIHMCJDRQP-QZTJIDSGSA-N 283.500 4.798 30 10 CJEE C=CCCCCN[C@H](C)c1sccc1Br 309057762 UFLVEQCQGWERCX-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccc[nH]1 310619406 GMHSNBPWCYGXRG-OAHLLOKOSA-N 250.430 4.806 30 10 CJEE N#C[C@]1(Cc2sccc2Cl)CCc2ccccc2C1 311339546 HPTYXTUGMXDCMK-MRXNPFEDSA-N 287.815 4.643 30 10 CJEE CCCCCCCC[C@@H](NCC)c1csc(OC)n1 311694928 LIFFWQZKRDHMSS-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE C=CCCCCCCNc1ccc(C(=O)O)c(Cl)c1 312051300 CFMKTBAVZCOMAQ-UHFFFAOYSA-N 281.783 4.587 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2cc(Cl)sc2Cl)O1 312672660 QOLLMFFEYFAPMR-GZMMTYOYSA-N 276.188 4.579 30 10 CJEE CC1CCC(C[C@]2(C#N)CCc3ccccc3C2)CC1 313185733 WHHIXFHDBQIZBB-LADRWXRNSA-N 267.416 4.902 30 10 CJEE N#Cc1ccc(Cl)cc1NCC/C=C\c1ccccc1 323327625 UYACBKBEFWMGKJ-YWEYNIOJSA-N 282.774 4.727 30 10 CJEE N#C[C@@]1(Nc2ccc(F)cc2)CCCCC12CCCC2 380410104 ACCZPIIVRINWNW-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE CC(C)CCCCCC/N=C1/N[C@H](C2CCCC2)CS1 386227463 JLICNBHFJFKZNT-INIZCTEOSA-N 296.524 4.844 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCC[C@@H](C)C1 387183299 OSHZJSWFLLWKQN-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](CC)NCc1ccc(OCCCCC)cc1 393822239 MISAFSPAZDKTDD-KRWDZBQOSA-N 275.436 4.700 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1C1(C#N)CCC(C)CC1 394210699 DTCAWVKFFYIAAY-UHFFFAOYSA-N 292.766 4.528 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(C)c(C(F)(F)F)cc1N 398071782 MNLGDAPEUXWXPI-LLVKDONJSA-N 286.341 4.753 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCCC[C@H]1C(C)(C)C 398081646 DMXRWIAXABAEFP-XHSDSOJGSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@@H]1CCOC1 401324683 AVOMGAAHRBELCM-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE SCCCCCCCCCOc1cccc2c1OCC2 401944400 NVBRAUWENQCEAD-UHFFFAOYSA-N 294.460 4.661 30 10 CJEE 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CN(CCCC(C)(C)C#N)[C@@H]1CCCC(C)(C)CC1 697841629 DJZWEIVMTTVMBK-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE CC1(C)CC(CN[C@@H]2CCCC[C@@H]2C#N)CC(C)(C)C1 699428514 ISBDPCFIOCSYFT-HZPDHXFCSA-N 276.468 4.511 30 10 CJEE CCCc1ccccc1OCc1ccc(C#N)cc1Cl 699527448 ISMHGNNIGAWFQT-UHFFFAOYSA-N 285.774 4.743 30 10 CJEE CC[C@@H](Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F 702919183 DYDZSPXZHKLQIO-SECBINFHSA-N 289.194 4.597 30 10 CJEE CC(C)[C@@H]1CCCCN(CC2(CS)CCCCC2)C1 703286947 ZMNBQGZWFYXONP-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CSc1cccc(Oc2cc(F)cc(Cl)c2)c1C#N 703733918 RAPSFFAKULPZLW-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE CCCCCCCNCc1c(F)ccc(F)c1Cl 705564524 XFAGAMGIYJEWGN-UHFFFAOYSA-N 275.770 4.678 30 10 CJEE Cc1cnccc1CC1(C#N)CC(C)(C)CC(C)(C)C1 707829098 DWFQAAOGCAQYHM-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCCCCCCCCC[C@](C#N)(C(=O)OC)C1CC1 708775831 RMHUFBHAHPUHOE-QGZVFWFLSA-N 279.424 4.610 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(SC(F)F)cc1 709667109 MZLZQNAXSWBFHE-BXUZGUMPSA-N 296.386 4.886 30 10 CJEE 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30 10 CJEE C=C(C)CCN[C@H](c1ccc(Cl)cc1F)C(C)C 1169154208 VXWDUMJQVHMAIV-HNNXBMFYSA-N 269.791 4.732 30 10 CJEE C=C(CNC/C=C/c1c(C)cc(C)cc1C)c1ccccc1 1177688355 VPDMDTMQKURSDE-DHZHZOJOSA-N 291.438 4.928 30 10 CJEE C=CCCCCNCc1ccc(C2CCCC2)cc1 1178546560 WXZSXRIARDLRFC-UHFFFAOYSA-N 257.421 4.790 30 10 CJEE C=CCCC(C)(C)CNCc1cc(C(C)C)ccc1O 1183256644 OUJPKGMZDAJQFD-UHFFFAOYSA-N 275.436 4.598 30 10 CJEE C=CCCC(=O)OCc1ccc(C2CCCCC2)cc1 1266171605 ZTNIMDLTTDURIX-UHFFFAOYSA-N 272.388 4.744 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 1274904928 WXZQNGNFLDLUCP-ZWKOTPCHSA-N 291.479 4.846 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)CCC=C(C)C)CCCC1 1279400271 PZRYJVARIYIFNW-INIZCTEOSA-N 277.452 4.764 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(C)c2ccccc12 1280397920 RXZVIKLVTMYXDW-UHFFFAOYSA-N 281.399 4.623 30 10 CJEE C=CC(C)(C)CCCNCc1csc2ccccc12 1308509828 HXFQHEDTPHBGCR-UHFFFAOYSA-N 273.445 4.983 30 10 CJEE C#Cc1ccc(CN(C)[C@@H](C)c2cc3ccccc3o2)cc1 1308661329 VYZHYTUCGRUCMV-HNNXBMFYSA-N 289.378 4.607 30 10 CJEE 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292.209 4.998 30 10 CJEE C=C(c1ccccc1)[C@H](CC1CC(C)C1)NCCC 1888681502 FNFGQDFLXKOSPR-PVARCSIZSA-N 257.421 4.504 30 10 CJEE CC=C(CC)C(=O)c1cc(Br)c(Cl)s1 1894553911 OMLCASJFNDDZLK-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE C=CCC(CC=C)C(=O)c1sc(Br)cc1C 1901042150 KQCGZCWBRAARPM-UHFFFAOYSA-N 299.233 4.770 30 10 CJEE C=C(C)CC[C@H](N)c1ccc(Cl)c(Cl)c1C 1901118447 JFPJTDICFHTTNC-LBPRGKRZSA-N 258.192 4.658 30 10 CJEE C=CCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 1904348571 RAAYPTVXUHSLBK-GFCCVEGCSA-N 263.139 4.522 30 10 CJEE CCC[C@H](Nc1ccc(C)c(C#N)c1)C1CCCC1 1909665589 NPWKKQQMMUQHJX-KRWDZBQOSA-N 256.393 4.638 30 10 CJEE C=CCC1(NCc2cccc(Cl)c2Cl)CCC1 1913981713 SCGGKXLLMSOGGX-UHFFFAOYSA-N 270.203 4.582 30 10 CJEE CCCCCCCC[C@@H](N)C1CC(OC(C)(C)C)C1 1914039449 VNDDBLYNXIYWSN-UYSNPLJNSA-N 269.473 4.658 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NCCC)C1=CCCC1 1920949650 SXXHHTMLVWYONE-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE O=C[C@]1(CCCOC2CCCCC2)CCCC12CCC2 1921608434 YYZVJRBDOGOSFT-GOSISDBHSA-N 278.436 4.655 30 10 CJEE 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4.549 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1cccc(C)n1 2126137318 KVBLCEGGCSYSHC-INIZCTEOSA-N 260.425 4.567 30 10 CJEE CC[C@](O)(c1ccc(Cl)cc1)[C@](C#N)(CC)C(C)C 2127930497 IVPBHMCPBSEROX-HOTGVXAUSA-N 279.811 4.514 30 10 CJEE CC1(C)CCC(CC2(C=O)CCC(F)(F)CC2)CC1 2128482266 WZFSNRKAWVPKTQ-UHFFFAOYSA-N 272.379 4.988 30 10 CJEE C=C1CC(C[C@H](NCCC)C(F)(F)C2CCCC2)C1 2128792437 ATUASIKNHOPQMM-HNNXBMFYSA-N 271.395 4.536 30 10 CJEE CC[C@H](C1CCCC1)N(C)c1ccc(Cl)cc1C#N 2129338583 RENMMGWHPWMHLB-OAHLLOKOSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCC(=O)C[C@@](C)(N)C1CCC1 2130220101 VXIAWMRUUJVQKA-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE C=CC1(C[C@H](CC2CC(F)(F)C2)NCCC)CCC1 2131096734 NDPGAGXKKBGXLZ-AWEZNQCLSA-N 271.395 4.536 30 10 CJEE C=CC1(CN[C@@H]2CCCCCC2(F)F)CCCCC1 2132974941 CTDQOTRPIDXIPH-CQSZACIVSA-N 271.395 4.681 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134373243 NOAAUVLQXGICCG-HITLURFISA-N 262.437 4.988 30 10 CJEE CCCCCC#CC[C@@H](NCCC)C1CC(C)(C)C1 2138962396 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CC(C)(C(=O)[C@H](C#N)c1ccccc1Cl)C1CCCC1 2149639749 PQFUNNUVXIBZAI-CQSZACIVSA-N 289.806 4.733 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCNC[C@H]1CCC 2149834618 FNINALXYTYYXMV-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE Cc1cc(C)c([C@@H](O)CC#CC2CCCCC2)c(C)c1 2149851302 TZVWOMQDMFWYLF-SFHVURJKSA-N 270.416 4.619 30 10 CJEE CCCCOc1ccc(Oc2ccc(C#N)cc2)cc1 2150043956 XYLYJQGUXALSID-UHFFFAOYSA-N 267.328 4.529 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)c1sccc1C1CC1 2151041058 JAPFLMNQZFDOAQ-JKSUJKDBSA-N 295.492 4.607 30 10 CJEE CCCC1CCC(C=O)(C[C@@]23CCC[C@@H]2CCO3)CC1 2152924063 HGEWSBSUWHHJSZ-FPQWYMTMSA-N 278.436 4.511 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SC[C@@H](C)CC)CCC1(C)C 2155399703 HDPXCMBRZMOJHF-ZOBUZTSGSA-N 296.524 4.606 30 10 CJEE CCCCCCCO[C@@H]1CCC(C)(C)[C@@H](NCCC)C1 2155423629 QMUCTKWBVQBLNK-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOC1CCC2(CCNC2)CC1 2156005909 BRTFJNWZAGFUPU-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](O)[C@@]12CCC[C@H](C)CC2 2157072565 OYWSZGUXBJXNTN-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE CCSc1cccc(N(C)C[C@@H]2CC[C@@H](C)C2)c1C#N 2157885961 VSQZFOLZKSNXKM-ZIAGYGMSSA-N 288.460 4.543 30 10 CJEE CC(C)(C)[C@H]1CCSC(=N[C@H]2CCCC3(CCC3)C2)N1 2159227259 LHLZADBPFFIXST-UONOGXRCSA-N 294.508 4.597 30 10 CJEE CC[C@@](O)(C1CCC(C)(C)CC1)[C@@]1(C#N)CC=CCC1 2160160480 ZUIWWPZBHCNOSF-ZWKOTPCHSA-N 275.436 4.594 30 10 CJEE O=C(C1=CCCCCCC1)c1cc(Cl)c2c(c1)OCO2 2163975234 ZNHIRAWCPBAXRL-UHFFFAOYSA-N 292.762 4.532 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(CC(C)C)cc1 2164139297 ALVSMGSTPDQZRM-GOSISDBHSA-N 271.448 4.585 30 10 CJEE C=C([C@@H](NC)c1ccc(Cl)c2cccnc12)C(C)(C)C 2164144382 ZBCXZCXERNZAEG-OAHLLOKOSA-N 288.822 4.751 30 10 CJEE CCCC[C@](C#N)(CC)Cc1ccc2ncccc2c1 2164475593 PSGGJTQOMZPGKF-GOSISDBHSA-N 266.388 4.887 30 10 CJEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1ccc(C)c(C)c1 2164476976 FTCCDNPLNMIIFB-ROUUACIJSA-N 273.420 4.621 30 10 CJEE CCCC[C@](C#N)(CC)[C@]1(O)CCc2cc(Cl)ccc21 2164479484 HUTRUAUIBQNWRB-IRXDYDNUSA-N 291.822 4.584 30 10 CJEE CN(CCCCC(C)(C)C#N)C1CC2(CCCCC2)C1 2164854171 MKYWASWHPRVSHZ-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]1(COC)CC=CCC1 2166520967 FJFWGMKKULQYOF-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCCCCC[C@H]1NCC 2168740925 BNORLAKCXGZVBZ-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CC(C)(C)CO[C@@H]1CC(CC)(CC)CC[C@H]1NCC 2171362657 LAWSEUCBSMLSOI-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE CCCC(C=O)(CCC)CN1CCC[C@H](C(C)C)CC1 2172249489 YQJPZJSUIMIABD-KRWDZBQOSA-N 281.484 4.530 30 10 CJEE N#C[C@@]1(C[C@H]2Cc3ccccc32)CCCCC12CCC2 2173614897 IBHSARWOAXHHPK-APWZRJJASA-N 265.400 4.971 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NCC)[C@]12CCC[C@@H]2C 2173662319 NCCHGAWQPJRMJF-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@@H]1CCCCC12CCC2 2173715527 PLRHWSVMTYTNKT-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CCCCCCCO[C@@H]1C[C@](C)(F)CC[C@H]1NCCC 2174219247 QXZQMEUSXZIKBI-BRWVUGGUSA-N 287.463 4.622 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@](C)(N)CC(F)(F)F 2175094617 DOVFYJVCPFPJGY-KBPBESRZSA-N 297.405 4.548 30 10 CJEE O=CC1(CCCCc2ccccc2)CCC2(CC1)CC2 2176567656 JMKRRBCSGNGICR-UHFFFAOYSA-N 270.416 4.939 30 10 CJEE CC(C)c1ccccc1CC1(C=O)CCC2(CC1)CC2 2176574670 BEMIQSUDODPVBQ-UHFFFAOYSA-N 270.416 4.892 30 10 CJEE CC(C)C[C@@H]1CNC(=NC[C@H]2CCCC(C)(C)C2)SC1 2177390607 ZCTWDFKVDQVJSY-LSDHHAIUSA-N 296.524 4.558 30 10 CJEE C=CC1(NCc2nc(C)c(C(C)(C)C)s2)CCCCC1 2178142413 HRXBFJIZBMBQTN-UHFFFAOYSA-N 292.492 4.728 30 10 CJEE N#C[C@@]1(C[C@H](F)C2CCCC2)CCCc2ccccc21 2178219282 MJTIUALPNFBYES-ROUUACIJSA-N 271.379 4.703 30 10 CJEE C=CCCCC[C@@H](NC)c1cccc(C(F)(F)F)c1F 2179683911 YXWDHXASOVNSCY-CYBMUJFWSA-N 289.316 4.851 30 10 CJEE COc1cc(C(=O)C2=CC[C@H](C(C)C)CC2)ccc1Cl 2181679107 WZIUUCMFUOQJDA-LBPRGKRZSA-N 292.806 4.914 30 10 CJEE C[C@@]1(C[C@]2(C=O)CCCC(F)(F)C2)CCCCC1(F)F 2184854573 WTSCLTXEYRJAGM-QWHCGFSZSA-N 294.332 4.987 30 10 CJEE C=CCC(C)(C)OC[C@@H](NCC)c1ccc(F)cc1Cl 2187284577 VDGDFBSOJVXEHP-OAHLLOKOSA-N 299.817 4.501 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)C1(C)CCCCCCC1 2187480731 MZOULZGYGREPEH-QGZVFWFLSA-N 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C=CC[C@](C)(CC)[C@@H](N)c1ccccc1C(F)(F)F 2344384925 NKMNUGROFWZKAD-KBPBESRZSA-N 271.326 4.698 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1nc(C)c(C(C)(C)C)s1 2344406843 SWPXARORNQQGMR-MRXNPFEDSA-N 279.449 4.924 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1CCC[C@H](C(F)(F)F)C1 2344477889 YACMKOVCCHOZQU-RWMBFGLXSA-N 278.358 4.708 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2352745333 OZJBEERAUDMSHV-IGQOVBAYSA-N 276.342 4.751 30 10 CJEE CSc1cc(Nc2ccc(F)c(Cl)c2)ccc1C#N 2353838722 YAHVHKLBEGLYDA-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2353987141 SVJIDYVGKVISCT-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(F)cc1F 2360203848 APSMABIUQPKBKJ-BLLLJJGKSA-N 299.430 4.703 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(F)c1CN[C@H](C)CC 2360366813 SXTHIMAFQYXOKQ-VXGBXAGGSA-N 299.430 4.910 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(F)c(Cl)c1 51635734 AEIXFIBNBPGQLU-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1ccc(N[C@H](CC#N)c2ccccc2)c(Cl)c1 55016104 IPIBOGOKXWBZGC-OAHLLOKOSA-N 270.763 4.715 30 10 CJEE Cc1ccc(OCCCC[C@@H](C#N)c2cccc(F)c2)cc1 57688430 QVIDBRJDQXCZMM-KRWDZBQOSA-N 297.373 4.991 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(F)c(Cl)c1 70144595 BBAOBYLYKGCRJJ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc2ccccc2c1 71277165 ZNLFKNMQSBAYQU-GOSISDBHSA-N 253.389 4.847 30 10 CJEE COc1c(C)cc(-c2cc(CC#N)c(C3CC3)o2)cc1C 77084058 XFTRDGSIIHGMHX-UHFFFAOYSA-N 281.355 4.516 30 10 CJEE CCC[C@H]1CCCN(c2cccc(Cl)c2C#N)CC1 79343593 CHCJRLZAODKBNH-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CCCc1c(-c2c(C)cc(C)cc2C)sc(C#N)c1N 93074481 SGIJXZGJLAOINP-UHFFFAOYSA-N 284.428 4.747 30 10 CJEE CC[C@H](C)CN(CC)CC1(CS)CCCCCC1 94582030 GZHBCFRILOJCBT-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE C=C(CC)C[C@@H](O)C(c1ccccc1)c1ccccc1 97208331 BUKALTJNXNEAQA-GOSISDBHSA-N 266.384 4.536 30 10 CJEE CC(C)(C)C1CC(C#N)(Sc2ccc(F)cc2)C1 97329213 VOIZTKUVVMWQSD-UHFFFAOYSA-N 263.381 4.636 30 10 CJEE CC(C)c1nc(CSC2CCCCC2)sc1CC#N 98113800 COTBPVFHJOOSPR-UHFFFAOYSA-N 294.489 4.898 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)CC[C@@H]1NCCC 103976072 QHKYIDPISKXNLR-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCn1c(C)nc2c(N)cccc21 104324516 XZXFNRLEHIOBBO-UHFFFAOYSA-N 273.424 4.678 30 10 CJEE CCCCCCCCCCCCN[C@H](C(=O)OC)C(C)C 109671618 NTHCTKRGARSSHJ-KRWDZBQOSA-N 299.499 4.695 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1cc(C)ccc1C 110081358 GQDCESWESIEKEZ-LJQANCHMSA-N 291.479 4.941 30 10 CJEE Cc1ccc(Sc2ccc(C#N)c(Cl)c2)cc1C 110354098 JUQMAGFAWKOWOE-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCCc1noc(-c2ccccc2)c1C(=O)O 112310298 TYWBZMSDLYXZMN-UHFFFAOYSA-N 287.359 4.553 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)C[C@@H](C)O2 115855351 SXIQOIVIISKCFL-CQSZACIVSA-N 274.404 4.943 30 10 CJEE CCCCCCCCOc1cccc2c1CCCC2=O 116380498 MPZLYLNHUXHBRI-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CCCCCCCCCC1(F)C[C@@H]2CC[C@H](C1)N2 126874818 ZUIRYEKDDHSVSZ-XYPWUTKMSA-N 255.421 4.750 30 10 CJEE CCCCCCC[C@@H](CN)N(CCC(C)C)C1CCCC1 129635223 KFARRBDLMLLODZ-IBGZPJMESA-N 296.543 4.965 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](OCC)C1CC1 130313252 GPSVUINHEAVTOB-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CC[C@H](CC1CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 130957066 VRPJEYBTIVVIRV-GFCCVEGCSA-N 282.309 4.568 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccoc1C 132759761 ZUMXTGDHJHFWIY-INIZCTEOSA-N 251.414 4.989 30 10 CJEE CSc1cccc(N(C)c2cc(C)cc(C)c2)c1C#N 136654824 CPCJBECKOVHVGP-UHFFFAOYSA-N 282.412 4.665 30 10 CJEE CCCCCCCCCCCC(=O)NOC(C)(C)C 148980075 FFLWQSBQFFCEBU-UHFFFAOYSA-N 271.445 4.754 30 10 CJEE CCCCCCCC[C@@]1(O)CCc2c(F)cccc21 158117653 OYVFDRXUWRYITI-QGZVFWFLSA-N 264.384 4.710 30 10 CJEE CN(Cc1ccc(C#N)cc1Cl)C1CCC(C)(C)CC1 162923254 ATAYMYIMDLAFAK-UHFFFAOYSA-N 290.838 4.612 30 10 CJEE CCCCCCC[C@@H](NCCC)C(CC)(CC)OC 164628235 ANJSGNMGIWVBJM-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE Cc1cc(C)n(C(c2ccccc2)c2ccccc2)c1C#N 212922501 HMLCOQVIYNFWIN-UHFFFAOYSA-N 286.378 4.614 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2ccccc2F)C1 217815854 KDCTVHVZHTWIKV-BORJPKMPSA-N 288.410 4.537 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)CC(CC)CC)C1 222796240 UWTUGYFYPZIJBA-KURKYZTESA-N 278.484 4.853 30 10 CJEE O=C(C=C1CCCCC1)Cc1cccc(Cl)c1Cl 228853084 DURHPLIDOWUBEB-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cncc(OC)c1 229089063 DSZVHDWWINHZGX-GOSISDBHSA-N 292.467 4.882 30 10 CJEE CC(C)(C)[C@@H](CCN)CCC(=O)C1=CCCCCCC1 232508379 JVEMMWJJECJWMX-MRXNPFEDSA-N 279.468 4.627 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](CCC)OCC 233163684 YIPWAZKKSDSHJH-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@H](CSc1ccc(F)cc1)NC 234448946 KRKLJOCVMLCIFV-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(C)cc1Br 235801822 ALMLMNOGGAVVDL-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)c(Cl)c1 236031860 OPRSAQCBHWLMQA-UONOGXRCSA-N 274.795 4.592 30 10 CJEE C[C@@H](C#N)c1cc2ccccc2n1C1CCCCC1 259968655 IHBHGQWMTBSXQJ-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CCCC[C@@H](CC)[C@@H](CC#CC(C)(C)C)NCC 305895811 HPVIPXMIIFJDRY-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(Cl)cc(C#N)c1 310865785 DPKYNMSGAVPXDT-DOMZBBRYSA-N 263.768 4.559 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(C)c1 311485817 MHZBITCMTSTFLA-INIZCTEOSA-N 277.839 4.739 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccc2ccccc2n1 312267412 HYVAWKRMHOSDSX-GDBMZVCRSA-N 282.412 4.799 30 10 CJEE CCC(CC)(c1ccccc1)[C@@H](O)CC#CC(C)(C)C 312291414 KOULAAIUBHVZKZ-KRWDZBQOSA-N 272.432 4.545 30 10 CJEE CCCCCCC[C@@](C)(CNC(C)(C)C)OCC 315826393 GEQAOOBWBSBTAN-INIZCTEOSA-N 257.462 4.530 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CCCC[C@H]1C 318657728 BRYXLDNEKRJWLG-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@H]1CCC(C)(C)C[C@H]1C 380628108 OYXIHXSMWHOISR-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc2c(c1)CCCC2 380989012 AVCBQKILMWSWBZ-HNNXBMFYSA-N 271.448 4.818 30 10 CJEE C=CCCCCN[C@@H](CC(F)(F)F)c1ccccc1 381794790 CSGJOCMJGFIEOR-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE C=CCc1cc(N)ccc1OCCCCCC(C)C 383243810 VMOBSAAFIVOKNB-UHFFFAOYSA-N 261.409 4.593 30 10 CJEE Clc1ccc(C#Cc2ccc(Br)cc2)s1 383406519 AVDZQNQNPIHUSZ-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE CCCCCCCCC[C@H]1NC[C@@H]1c1ccccc1 385222468 RGIZLTZRWUJGGN-QZTJIDSGSA-N 259.437 4.883 30 10 CJEE CSCC1CCC(C#N)(Nc2ccccc2Cl)CC1 385417106 HXDKDVUPQWWFOC-UHFFFAOYSA-N 294.851 4.567 30 10 CJEE C#CCOc1ccccc1CNc1cccc2ccsc12 386253365 SGLBBCOEXZTCCR-UHFFFAOYSA-N 293.391 4.525 30 10 CJEE Cc1cc(Cl)cc([C@@H](C#N)NC2CCCCCC2)c1 395183493 GZAQZSLNDFTPAY-MRXNPFEDSA-N 276.811 4.526 30 10 CJEE CCCCCCCC[C@@H](COCc1ccccc1)NC 395479447 ATIKQNSPZBFKER-SFHVURJKSA-N 277.452 4.542 30 10 CJEE CCCCCC[C@@H](C)OCc1ccc(CC#N)cc1 398977870 ZNKWAJGOGYMENM-OAHLLOKOSA-N 259.393 4.628 30 10 CJEE CCCCCCCCCCNCCc1ccc(C)cn1 399844127 MRWAJEICJAXMIP-UHFFFAOYSA-N 276.468 4.663 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1c(Cl)cccc1Cl 400844945 KEPMYAKOKGUQST-MNOVXSKESA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CCOC1)NCC 400938148 BSBPKASHCGQHRY-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1c(C)cccc1C 617179015 WSCUCZYTWFBZES-IAGOWNOFSA-N 285.431 4.569 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC1CC1 686692259 CPPZDKRMLNLYAL-RCCFBDPRSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1F 686693553 DJELWLVVWHVJNX-MRXNPFEDSA-N 299.792 4.853 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccccc1SC 686698880 MYMWGNBDOSIECD-INIZCTEOSA-N 275.461 4.643 30 10 CJEE C[C@H]1CCCC[C@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688336346 CNDNBNSTCGQLEN-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE C=CCC1(NC[C@@H](c2ccccc2)C(C)C)CCCC1 690721139 UBGJRROHKMIWEI-GOSISDBHSA-N 271.448 4.905 30 10 CJEE CCc1ccc(Nc2cc(C)ccc2C#N)cc1Cl 691230163 UQUMXHZVZKQFTE-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(Cl)cn1 695210163 ZZZLQKNEGNUGJH-OAHLLOKOSA-N 269.816 4.693 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCC2(CC2)C1 695954543 JFCQHEYVKWJORF-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)c1ccc(C#N)c(Cl)c1 696195665 NMWVPRAMWQNCFB-CYBMUJFWSA-N 288.822 4.618 30 10 CJEE C=CC(C)(C)CCNc1cc(C)c(N)cc1C(F)(F)F 701907430 ASXUSXHDCLRBFN-UHFFFAOYSA-N 286.341 4.610 30 10 CJEE CC1(C)C[C@@]1(C)CNc1ccc(C#N)c2ccccc12 702373396 YNMQPBMQOOBASJ-SFHVURJKSA-N 264.372 4.560 30 10 CJEE CC1(C)CCC[C@H](Nc2cccc(Cl)c2C#N)CC1 704909061 ZBKYCBCMKIICTP-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCNC[C@H]1CCC2(CCCC2)O1 709483950 OPNHMQCLWFMYIZ-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C[C@H]1CC(CNc2cc(Cl)ccc2C#N)C[C@H](C)C1 710067703 PKMLOWLGTIZTDE-VXGBXAGGSA-N 276.811 4.696 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1sccc1Cl 710589937 JCPYJFNAOLQHSX-SNVBAGLBSA-N 264.221 4.585 30 10 CJEE CCCCCCCCCCNC[C@@H](C)CC1(C)OCCO1 716033055 IYMHXEUGFDRAHU-KRWDZBQOSA-N 299.499 4.506 30 10 CJEE CCCCCCC[C@H](NC)C1C[C@@H]2CC[C@H](C1)S2 716040644 SBLUOABLJPMREV-UYTSQGDYSA-N 269.498 4.609 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C1(C)CCCCC1 720300923 KRAGJQDCMXRBNT-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=C1CCC(CNc2ccc(C(F)(F)F)cc2)CC1 724558790 CTVPZUZITKCPBF-UHFFFAOYSA-N 269.310 4.864 30 10 CJEE C=C1CCC(C[C@@H](NC)c2csc(C(C)C)n2)CC1 724594456 BWLJEOKFTJPAEQ-CQSZACIVSA-N 278.465 4.664 30 10 CJEE C=C1CCC(C[C@@H](NC)c2sccc2Cl)CC1 724605577 NJHHVASDDQSRDT-CYBMUJFWSA-N 269.841 4.799 30 10 CJEE C[C@@H](CC1CCCCC1)NC[C@H](C#N)C1CCCCC1 822180442 UAWHCMYMUDONCJ-YJBOKZPZSA-N 276.468 4.655 30 10 CJEE C=CC1(CC(=O)N(C)Cc2ccc(C)s2)CCCCC1 1125775173 RESWPQYVTQIFMQ-UHFFFAOYSA-N 291.460 4.542 30 10 CJEE C=CCC[C@@H](CCC)NCC(F)(F)c1cccc(F)c1 1182780959 GMDDYXUIWKPGOO-OAHLLOKOSA-N 285.353 4.642 30 10 CJEE C=C(Cl)CN1CC[C@@H](c2ccccc2)c2ccccc21 1196841997 OSBCFPNEGMIFSV-INIZCTEOSA-N 283.802 4.781 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OCCC)c(Cl)c1 1264703056 FNYUQNYQIGKAQQ-GFCCVEGCSA-N 295.810 4.670 30 10 CJEE C=CCCCCNc1ccnc(CSc2ccccc2)n1 1307103009 PDQSUYUUSXHUFI-UHFFFAOYSA-N 299.443 4.537 30 10 CJEE C=CCCC[C@@H](N[C@H]1CCCSCC1)c1ccccc1 1308919142 VBYQAZIXZSGVKP-ZWKOTPCHSA-N 289.488 4.959 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccccc1-c1cccs1 1353161561 IMBHZUNQBMIWIS-UHFFFAOYSA-N 285.412 4.956 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1C(C)C 1461675063 IGCOKVFLMUZJOC-UHFFFAOYSA-N 259.437 4.892 30 10 CJEE C=CCC[C@@H](CC)Nc1cc(OC)ccc1C1CC1 1462524364 XZWZZRFZJZMCBW-CQSZACIVSA-N 259.393 4.729 30 10 CJEE C=CCN(Cc1cccc(CCC)c1)c1ccccc1 1474453244 QAUWEYXNBPFVFI-UHFFFAOYSA-N 265.400 4.832 30 10 CJEE C=CC(C)(C)CC(=O)N1c2ccccc2[C@H](C)CC1(C)C 1527429206 YSLWONUPYOREJT-CQSZACIVSA-N 285.431 4.908 30 10 CJEE C#Cc1ccc(NC[C@H](C)CC2CCCCC2)cc1 1560612842 APYDGANVBWOBGN-OAHLLOKOSA-N 255.405 4.686 30 10 CJEE C=C1CCC(CNC[C@@]2(C)C[C@@H]2c2ccccc2)CC1 1561001524 WZNZCRHIRBMDJY-RTBURBONSA-N 269.432 4.516 30 10 CJEE CC#CCCCC(=O)Nc1cccc(C2CCCCC2)c1 1587166817 FGQJLKQUEGVRRC-UHFFFAOYSA-N 283.415 4.866 30 10 CJEE CCN(CC)c1ccc(C#Cc2cc(C)ccc2C)cc1 1614826086 HLYNBYMINHRWOB-UHFFFAOYSA-N 277.411 4.549 30 10 CJEE CCCCCCCCN1CCC[C@H](C(F)(F)F)C1 1620505197 RLSAOKASIYQQDH-ZDUSSCGKSA-N 265.363 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1 1621004460 YDDHMGSBMHMJPR-MJGOQNOKSA-N 296.458 4.712 30 10 CJEE C=CC(C)(C)CCN[C@H](C)CCc1cncc2ccccc12 1621454722 NZGVMQGSMUNULY-MRXNPFEDSA-N 296.458 4.748 30 10 CJEE CC(C)CC[C@@H]1CCC[C@H]1Nc1snc(Cl)c1C#N 1642214201 BFHVAGCNSHTWAW-CMPLNLGQSA-N 297.855 4.685 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccc(Cl)cc2C)c1 1642250629 SQBIOICWXQTVKK-UHFFFAOYSA-N 283.802 4.656 30 10 CJEE C=CC[C@@H]1N(CCCCC2CCOCC2)CCCC1(C)C 1642917895 PDVXLJIJUZEJPY-SFHVURJKSA-N 293.495 4.650 30 10 CJEE C=CC[C@@H]1N(CCC(C)(C)CC)CCCC1(C)C 1645454078 ZJNGRWJIOFWWEP-HNNXBMFYSA-N 251.458 4.879 30 10 CJEE C=C(CC)CNCc1ccc(Oc2cccc(F)c2)cc1 1651212840 GEUSTQLHGRBEJM-UHFFFAOYSA-N 285.362 4.674 30 10 CJEE C#C[C@H](NC[C@H]1C(C)=CCC[C@@H]1C)c1ccc(Cl)cc1 1652580762 TVHWALUNVHTKEP-WBAXXEDZSA-N 287.834 4.596 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCCC1CCCCC1 1658329723 CGRQHXIBHBMTJX-LJQANCHMSA-N 271.448 4.734 30 10 CJEE C=CCCCC[C@H](C)NCc1ccc2[nH]c(C)cc2c1 1664636019 VXIRIDFABQVEPM-AWEZNQCLSA-N 270.420 4.701 30 10 CJEE CCCCCCCCC[C@]1(F)CCN[C@@H](C2CC2)C1 1879769550 UFCHKUPWRZLTQH-SJORKVTESA-N 269.448 4.997 30 10 CJEE CC#CCCCC[C@](CC)(CCCC)CNC1CC1 1885237490 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262.441 4.655 30 10 CJEE CN(CCCC(C)(C)C#N)[C@H]1CCC2(CCCCC2)C1 1916121381 PHTKXNMSJFQKMJ-INIZCTEOSA-N 276.468 4.751 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CCCC(C)(C)C 1919424687 XYVVHHZQZSRSMO-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE CCCCCCC[C@](C)(N)c1c(Cl)cccc1OC 1919482154 AZHZPGYNRAPWPW-INIZCTEOSA-N 283.843 4.883 30 10 CJEE C=C([C@H](NCC)[C@H](CC)c1ccccc1)[Si](C)(C)C 1922876174 SWNIVCXAULMXJA-SJORKVTESA-N 275.512 4.592 30 10 CJEE CC1(C)CCC[C@](C#N)(CC=CBr)CC1 1935231301 VZQBASUNTRCQOC-ZDUSSCGKSA-N 270.214 4.785 30 10 CJEE CCCCCCCCN[C@H](C)CSC(C)(C)C 1941161807 HHMMXHSCWJVBDQ-CQSZACIVSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCC(=O)c1nscc1C 1947777656 IESMYLMKAMPMIM-UHFFFAOYSA-N 253.411 4.775 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(Br)c(C)s1 1959874529 SUCPTCMPRAKAJF-QMMMGPOBSA-N 287.222 4.604 30 10 CJEE N#Cc1c(Cl)cccc1N1CCC[C@H]1c1ccsc1 1968698239 HYDHGGUAPXIFFJ-AWEZNQCLSA-N 288.803 4.615 30 10 CJEE N#Cc1ccc(SCC2[C@H]3CCC[C@H]23)cc1C(F)(F)F 1971362500 KIRBHTMLQBZLAC-RYUDHWBXSA-N 297.345 4.715 30 10 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CJEE C=CCCCCCCCC[C@@H](N)[C@]1(C)CCCCO1 2142435616 QLZZZNHWBGQXMG-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1CCCC1 2142446264 AWLOXSSIAUTJIB-KRWDZBQOSA-N 266.473 4.705 30 10 CJEE C=CCCCCCCCCNCCC[C@H]1CC1(F)F 2142446766 QFAYENUYUITUNE-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1C(F)(F)C12CC2 2142448149 YWPLHKLLQQVATJ-KBPBESRZSA-N 271.395 4.666 30 10 CJEE CCCCC[C@@H](C)N=C1N[C@@H](C2CCCCC2)CCS1 2143553902 UCSPYSCWENIXMM-GDBMZVCRSA-N 296.524 4.987 30 10 CJEE CSc1cccc(NCC[C@H]2CCCC2(F)F)c1C#N 2144231703 XTPATRPRYJQTBR-LLVKDONJSA-N 296.386 4.518 30 10 CJEE CCCCCCCO[C@@]1(C(=O)O)CCC12CCCCC2 2144920312 JVINFEHIWHTTDP-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCC[C@@H](NCC)C1=Cc2ccccc2C1 2145236848 PGFQIPJXTAYYET-LJQANCHMSA-N 271.448 4.965 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CCCOCC1)NCCC 2145474810 ZZQPUVSNRHGRHV-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3[C@H]4CC[C@@H](C4)C3(C)C)C[C@@H](C1)C2 2146278796 SAEPGWXAXYNACG-NOTKSWKFSA-N 273.464 4.536 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2146283041 SINGSRLIMYQCQM-NXOAAHMSSA-N 280.500 4.641 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)[C@H]1CCCC[C@@H]1C 2147024979 SGLGALHHBGBJNK-ULQDDVLXSA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@@H]1CCCC[C@@H]1C 2147886834 FEGMNCMANXFFMD-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](O)C1(C(C)C)CC1 2148589758 SGVBPCGTUIPFCH-SJORKVTESA-N 283.500 4.512 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@H]1CCCC[C@@H]1C(F)(F)F 2149116239 WCOMFNSEVXVTQW-ZNMIVQPWSA-N 291.401 4.936 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCC23CCCCC3)C1 2150014709 TYIDFJUCVKSHAF-ZACQAIPSSA-N 274.452 4.504 30 10 CJEE CCCC1(CN=C2N[C@]3(CCCC3(C)C)CS2)CCC1 2150540285 AEIGVCGOMYVFFI-QGZVFWFLSA-N 294.508 4.598 30 10 CJEE Cc1cccc(N=C2N[C@]3(CCCC3(C)C)CS2)c1C 2150545220 KUPSVWRVNBBMPK-QGZVFWFLSA-N 288.460 4.576 30 10 CJEE Cc1cc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)ccc1C#N 2153413198 XWVNUMOQTHBCCG-JLVBRIDZSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1C(F)(F)F 2156853023 SSOCTRRASSSVCZ-IHRRRGAJSA-N 294.405 4.548 30 10 CJEE CCCCCCCC[C@H](NN)C1CC2(C1)CC(C)(C)C2 2157155266 VTENBZPOXLQFGV-INIZCTEOSA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H]1CC[C@@H](C)C1)NC 2157872745 MQAFASHNEPSFDM-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CC2(C1)CC(C)(C)C2 2158853177 NZHGPVKPASKHQW-DLBZAZTESA-N 275.480 4.927 30 10 CJEE C=C([C@H](NCCC)c1coc(C(C)(C)C)n1)C(C)(C)C 2160629387 OOOQYAMKKHIFDJ-AWEZNQCLSA-N 278.440 4.615 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C2C[C@@H]3[C@@H](C2)C3(F)F)C1 2163775586 YVCCIMIPTXPSMY-CHWSQXEVSA-N 284.390 4.699 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)C1 2166051953 UNSSTWBZMKLJAF-RBGFHDKUSA-N 284.390 4.843 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1CCC12CCC2)NCCC 2166771136 PZVIMEVKJVVPLL-ROUUACIJSA-N 275.480 4.909 30 10 CJEE C=CC1(C[C@H](O)CC23CC4CC(CC(C4)C2)C3)CCC1 2168029556 WYYSQRHYCXPXBQ-WCWCZOKXSA-N 274.448 4.700 30 10 CJEE C[C@H](N=C1N[C@@H](C2CCCCC2)CCS1)C1(C)CCC1 2172431799 FRLBPEOWRIVKFE-DZGCQCFKSA-N 294.508 4.597 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C1(O)CCC2(CCC2)CC1 2173647152 BJXHJYAOLHBRGV-KRWDZBQOSA-N 275.436 4.572 30 10 CJEE CC(C)(C)c1ccccc1[C@H](C#N)Nc1ccccc1 2174245747 ANEDWKCGWBNPAH-KRWDZBQOSA-N 264.372 4.661 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@]1(O)C=CCC1 2175787472 FBCPDOAXBUJRGY-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cnc3ccccc3c2)CC1 2181662158 LEJBIULHMDJQNB-ZDUSSCGKSA-N 265.356 4.554 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2ccc(Cl)cc2OC)C1 2182158429 RRLIHJYPRRZOJC-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE CCCCCCC[C@H](C[C@H]1OCc2ccccc21)NC 2183677689 LVQOFWPXLMTDCK-SJLPKXTDSA-N 275.436 4.597 30 10 CJEE CC[C@](O)(C1CCC(F)(F)CC1)[C@@](C#N)(CC)C(C)C 2184372406 NFHJWSASWMMPMV-ZBFHGGJFSA-N 287.394 4.529 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2184457230 ATQREQXSPPDREL-IAQYHMDHSA-N 292.785 4.898 30 10 CJEE O=C[C@]1(C[C@H]2CSc3ccccc32)CCCC(F)(F)C1 2184851057 RVOOMCUREXDHBC-WFASDCNBSA-N 296.382 4.661 30 10 CJEE CC(C)NCC1(CC#C[Si](C)(C)C)CCC2(CC2)CC1 2187468680 QTNGUDVBAJKXPU-UHFFFAOYSA-N 291.555 4.596 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC1(CCC)CCC1)NC 2189692418 AJBTZMNOPHXQIM-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CC#CCCC[C@@H](NCCC)c1c(F)ccc(C)c1F 2194059050 LOFOQXPSNOQMKI-OAHLLOKOSA-N 279.374 4.508 30 10 CJEE CC#CCCCC[C@@H](NC)C1(C(F)(F)F)CCCCC1 2196174146 KVWPHKPLBBVRLH-CQSZACIVSA-N 289.385 4.671 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncnc2cscc12 2196353938 WCHYOMQBRAWPAU-CQSZACIVSA-N 291.464 4.832 30 10 CJEE CCCCCCCN(C)[C@H]1c2ccccc2NC[C@H]1C 2196733304 CYRQCNZMIJLRDQ-CRAIPNDOSA-N 274.452 4.692 30 10 CJEE C#CC[C@@H](CC(=O)c1cc2c(s1)CCCCC2)C1CC1 2196828725 YZKRGQSHMGFVLY-AWEZNQCLSA-N 286.440 4.639 30 10 CJEE CC[C@H](NC)c1cccc(-c2ccc(Cl)c(C#N)c2)c1 2197940170 HTVHRIYFAKYGNE-KRWDZBQOSA-N 284.790 4.549 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@H]1C[C@H]1C1CCCCCC1 2200034632 SUMSFJLOJDDMKS-XWSJACJDSA-N 275.480 4.927 30 10 CJEE CC(C)(C#N)CCCOC[C@@H]1C[C@@H]1C1CCCCCC1 2200737223 GVTLCQHEIDJXJH-DLBZAZTESA-N 277.452 4.939 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@H]1CCCCC(F)(F)C1 2203791976 OPUKXIQDCLRMFM-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@]1(CNCC)CCCCC12CCC2 2203809196 DJXOLUOBGQEPMU-LJQANCHMSA-N 275.480 4.910 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc(C(C)(C)C)cc1 2203821106 ZRHRMARKFDPSEQ-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CCCCCC#CC[C@H](N)[C@@H]1CCC[C@@]2(C1)CC2(F)F 2203824483 ULJGKZTXWAYLKR-OWCLPIDISA-N 283.406 4.503 30 10 CJEE CCCCCCC[C@@](C)(O)c1nc(C)c(C)n1C(C)C 2205817441 DUSUXFGCFIQQHZ-QGZVFWFLSA-N 280.456 4.649 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CC[C@@H](C(C)C)C2)CC1 2206204127 CBYXDTSYOJXFAX-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE C=CCCCCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 2206896102 AMXCXSRMFOXURJ-WBVHZDCISA-N 293.476 4.646 30 10 CJEE C=CCCCCCCC(=O)c1cc(F)c(F)c(F)c1F 2206897024 KDSPMQAYRVVKOH-UHFFFAOYSA-N 288.284 4.952 30 10 CJEE C=CCCCCCC[C@@H](NN)c1cccc2ccsc12 2206897224 ALFXEZSPKJIAIG-MRXNPFEDSA-N 288.460 4.932 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1ccc(Cl)cc1F 2206897678 CQKVPDQPPMCEER-INIZCTEOSA-N 298.785 4.608 30 10 CJEE C=CCCCCCC[C@@H](N)c1cnc2ccccc2c1 2206901438 BTTZNFDHOGEAPC-QGZVFWFLSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCN1C[C@@H](CC)O[C@H](CC)C1 2207386114 SVFOIWDBMSMYDW-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CCCN(CC)C1 2207393114 UCQLWGCOFOWDBX-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CCCC[C@@]1(C)N 2207393169 URRAWNXJGCRSDN-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](CN)CC(C)C 2207396695 NOXABTLDYILASE-MSOLQXFVSA-N 283.500 4.665 30 10 CJEE C=CCCCCCCCC[C@H](O)C1CC2(CCCO2)C1 2207406421 YGMKPJZYZGLGFD-ADKAHSJRSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@]1(C(=O)O)CCO[C@@H]1C 2207426087 XJDINSGFOBJMJC-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCCN(CC(C)(C)O)C(C)C 2207426277 ZKDJSKUKEIMPHE-UHFFFAOYSA-N 283.500 4.775 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CC(C)(C)CO1 2207426580 DFCGEEFDQTXFNE-IRXDYDNUSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](N)C1CCCC1 2207429276 HOGCOJSUZRTJDQ-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cc(C)n(CC)n1 2207434614 DGJREBNRLKENRL-MRXNPFEDSA-N 277.456 4.518 30 10 CJEE CCCCC[C@H](C)Oc1ccc(Cl)cc1C#N 2215135919 QUYODDCDJAEBHR-NSHDSACASA-N 251.757 4.559 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCC2CCC2)C1 2216671688 ZUSCPIKEVKMUPB-YUELXQCFSA-N 251.439 4.628 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(OC)cs1 2220093343 QRONQLPXXLFRJM-CQSZACIVSA-N 268.422 4.707 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](F)C1CCC1 2220856906 RIFRLNZGPIDPBP-JKSUJKDBSA-N 257.437 4.853 30 10 CJEE CC#CCCCC[C@H](NC)c1sc(C)c(C)c1C 2221236864 ACRLFGXGXWMPCJ-HNNXBMFYSA-N 263.450 4.518 30 10 CJEE C=CC1(C[C@](C)(N)c2cc(Cl)cc(Cl)c2)CCC1 2222026436 ANRSTSPIZCKHIK-AWEZNQCLSA-N 284.230 4.914 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@@H](C)C1 2223538826 FWNMJAFUJNVXCI-NCOADZHNSA-N 251.458 4.783 30 10 CJEE O=C(CC1C[C@@H]2CCC[C@H](C1)C2(F)F)C1=CCCC1 2225371647 QIERCMNUOWVBRQ-QXMXGUDHSA-N 268.347 4.518 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1CCCCC12CCCCC2 2226325381 BOXGRBRWKWOLDZ-SJORKVTESA-N 261.453 4.517 30 10 CJEE CCCCCCC[C@@](C)(O)c1nc(C(F)(F)F)cs1 2226478083 FMZKBRWYYLCHOY-GFCCVEGCSA-N 295.370 4.730 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2227283418 ZTFKCEIWSUTIOB-YDHLFZDLSA-N 270.363 4.764 30 10 CJEE CCSc1cccc(OCCCCC2CC2)c1C#N 2230491563 ZPWJYARQRCGNLU-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE CCCCCCCCCCOCCC(C)(C)C(N)=S 2231021961 KUUUZSNAFMQAIE-UHFFFAOYSA-N 287.513 4.846 30 10 CJEE CCCCCCCCCCO[C@H](CNC)CC(C)C 2231026175 HFVNEYGBALVHFU-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@]1(C)NC[C@@H](CC(C)C)CO1 2231857529 SGTCAYTWEVTGMO-IAGOWNOFSA-N 269.473 4.735 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CCCCO1 2231903486 WVYNUTOGNDBGHZ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1OCC[C@@H]1C 2231926108 QXOLLHXCUGRXOJ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)C(C)(C)CC 2231934269 GCXZNGYUYLLHJX-WBVHZDCISA-N 271.489 4.512 30 10 CJEE CCC(CC)[C@H]1CNC(=NCCCCCCC2CC2)S1 2234187907 ASZRHVBJMJRYBY-MRXNPFEDSA-N 296.524 4.844 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC2(CCCC2)CO1 2235522351 SVHCTLWTWBGZOD-IRXDYDNUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2235533588 BSEKHMPGMDDOOZ-OWCLPIDISA-N 285.422 4.879 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCCC(C)(F)F 2238196768 YLASULIUANWEGR-INIZCTEOSA-N 285.422 4.764 30 10 CJEE C=CCCCOCc1cccc(CN[C@H](C)CC)c1Cl 2238503185 RTYITYSKCKDVBH-CQSZACIVSA-N 295.854 4.711 30 10 CJEE CCCCCCCCN(C)[C@@H](CCC)CN[C@@H](C)CC 2238532684 QUZNLLBIMULMAA-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CC1(C(=O)C2=CCC(F)(F)CC2)CC2(CC(F)(F)C2)C1 2238802824 NLEBFNPAEHJWJH-UHFFFAOYSA-N 290.300 4.517 30 10 CJEE CC[C@@H](C)C[C@@](N)(C#N)CSCCCCCCC1CC1 2239359118 MSLWVYCDOFPMED-NVXWUHKLSA-N 296.524 4.737 30 10 CJEE CCCCCCCCCCO[C@H]1[C@@H](N)C[C@H](C)C[C@H]1C 2239489428 IPFWHBPPQFCWMI-ZJPYXAASSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCCCO[C@H]1CCNC[C@H]1CC 2239547582 AVYGIOMYMHLSHR-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOc1ccncc1C#N 2239548981 NQFKUPZRVLPBQZ-UHFFFAOYSA-N 274.408 4.863 30 10 CJEE C=C[C@](C)(CCCCCOC(C)(C)C)CNC1CCC1 2240200245 UIAYSSGWKGAQFB-GOSISDBHSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)[C@@]12CC[C@@H](CO1)C2 2240657779 NRWZJCDANCWZPC-TVFCKZIOSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)c1cccc(C)c1 2240667487 WVIMWCVWFAUFTH-GOSISDBHSA-N 276.420 4.679 30 10 CJEE C=CCCC[C@H](NC)c1cc(C)c(Cl)cc1C 2249161853 RDGKVSNYGBPCRQ-HNNXBMFYSA-N 251.801 4.574 30 10 CJEE C=C(C)CCCC[C@@H](CO)c1ccccc1Cl 2250158497 JBPGHXLHNGFEKZ-ZDUSSCGKSA-N 252.785 4.552 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(Br)cc1 2250180966 HNQZJZNGBOAIPB-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C#N)CCCC(F)(F)C1 2254530275 AKSROFFDXZDHQB-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCc1ccsc1[C@@H](C#N)Nc1cccc(Cl)c1 2256061087 XSLWGFBUCMOMPC-CYBMUJFWSA-N 276.792 4.641 30 10 CJEE C=C([C@@H](NC)c1cc(Cl)c(Cl)cc1C)C(F)(F)F 2258566749 VLEGDPUNIMOSQM-LLVKDONJSA-N 298.135 4.681 30 10 CJEE C=CCCSc1sc(CN[C@@H](C)CC)c(C)c1C 2258982130 WMHGIUJVPRMXOB-NSHDSACASA-N 283.506 4.921 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC[C@H](NC)C1 2259048186 DHUOCEPBUPPVQP-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE C=CCCCSc1sc(CNC2CC2)c(C)c1C 2259073526 ZEPJGJYTVCVOCV-UHFFFAOYSA-N 281.490 4.675 30 10 CJEE C=C[C@H](C1CC1)N(C)CC[C@H](C)CCCC(C)C 2259598973 DIOUYEOELFUUBA-NVXWUHKLSA-N 251.458 4.735 30 10 CJEE C=CC[C@H](CC1CC(CC(C)(C)C)C1)NCCC 2261267294 KJJRSNJEGFNANK-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CC(C)[C@H]1CCCCN(CCCCCCCS)C1 2263209900 NZMDDAVYVCPLDA-INIZCTEOSA-N 271.514 4.625 30 10 CJEE N#CC[C@H](SCC1(C(F)(F)F)CC1)c1ccccc1 2266528629 QJWUAIMCNPYXIR-LBPRGKRZSA-N 285.334 4.717 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NCC#Cc1ccccc1 2266764383 MOVZAOZODOUMTI-UHFFFAOYSA-N 290.193 4.765 30 10 CJEE C=CCCCCC[S@@](=N)(=O)C[C@H]1CCCCC1(F)F 2267917243 PZGMTQCBOQDVOR-BFUOFWGJSA-N 293.423 4.605 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(OC)c1Cl 2268080591 AORVFMZCHKJWCV-CQSZACIVSA-N 281.827 4.746 30 10 CJEE C=CCCCCCCNCc1cccc(OC)c1Cl 2268099749 ZTOTWTWUDARUQG-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE C#CCCN(CCCCC[C@@H]1C[C@@H]1C)CC(C)(C)C 2269479756 HGFYKVRBJAGSTR-DLBZAZTESA-N 263.469 4.574 30 10 CJEE Cc1cc(Nc2cc(Cl)ccc2C#N)cc(C)c1C 2270607787 HOAKENYLDOFTHN-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCCCCCCCSC[C@H]1CNCCC1(C)C 2271592902 ZMXBGACLPIRDQF-MRXNPFEDSA-N 283.525 4.882 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(F)cc(C(F)F)c1 2271743969 ZKCOEUOWVNUYMB-HZMBPMFUSA-N 271.326 4.626 30 10 CJEE C=C(C)CCCC[C@H](NC)C1CC2(C1)CC(C)(C)C2 2271784041 BAYWJDVPNHKVHG-INIZCTEOSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1C[C@@H]2CC[C@H](C1)S2 2271836811 KWLSZXAVQHHJQL-NPYXIHBLSA-N 281.509 4.775 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1C[C@H]2CCC[C@H](C1)C2 2271837842 YHRRAYYDASBZOE-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)(F)F 2271839041 MQPAXWXJDAFDSA-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)C(C)(C)C 2275564210 UBAYPYVPOUGRBO-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@](OCCCN)(C(C)C)C1CC1 2276739228 OKQBFJNXTYMQEY-KRWDZBQOSA-N 269.473 4.517 30 10 CJEE CC[C@@H](C)c1ccc(OCc2ccsc2C#N)cc1 2277438059 RCCPJCPWHOJQMA-GFCCVEGCSA-N 271.385 4.712 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CCc1ccc(F)cc1 2277457101 YMUFLOVZWZNSME-KRWDZBQOSA-N 262.368 4.544 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)cc(C)c1OC 2277888106 KCXKJGUFTDGACF-INIZCTEOSA-N 263.425 4.672 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@H](NCC)CCO1 2278233326 CSEAEKUDJJSKBE-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCc1ccsc1[C@@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2283087197 GFZBQYHISIWIHX-NVXWUHKLSA-N 291.460 4.844 30 10 CJEE CC(C)C(C)(CN=C1N[C@@H](CC(C)(C)C)CS1)C(C)C 2283821301 OKNPVJIUFTUGNX-AWEZNQCLSA-N 298.540 4.802 30 10 CJEE CCCCCC#CCOc1cc(C)c(Cl)cc1[C@H](C)O 2286445635 VCRUVYHOIVXYON-AWEZNQCLSA-N 294.822 4.664 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1c(F)ccc(OC)c1Cl 2286690989 PFJSNCUQCZFTTA-YPMHNXCESA-N 299.817 4.741 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](C#N)c1cnsc1 2286969684 XUWFLJVINCFZCS-HNNXBMFYSA-N 292.448 4.850 30 10 CJEE CCCN(C[C@@](C=O)(CC)CCC)C1CCCCCC1 2287680915 IQZMXJNYFZFIRZ-GOSISDBHSA-N 281.484 4.817 30 10 CJEE CCCCCCCCCC[C@@H](O)CNC1CCCCC1 2288157250 BUJNKUITIFSBCK-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1ccc(C(C)C)cc1 2289701703 AEGCYYVQZJLVAY-LJQANCHMSA-N 269.432 4.654 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(C)ccc1C 2289776411 FMBZSPXOFSQEQQ-LJQANCHMSA-N 269.432 4.538 30 10 CJEE CC1(C)CC([C@@H](N)CC#CC2CCCC2)CC(C)(C)C1 2289855638 UKGUANMKGIPQSL-KRWDZBQOSA-N 275.480 4.750 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)C2CC(CC(C)(C)C)C2)C1 2289939968 PTOFNEGWNQAWSQ-AWQOMJGESA-N 277.452 4.530 30 10 CJEE CC1(C)CCC(C)(C)[C@H](N[C@@H]2CCCCC[C@@H]2C#N)C1 2290326904 HSPXDKYXTIHNKN-BZUAXINKSA-N 276.468 4.653 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](CC#CC2CCCCC2)[C@H]1O 2290334393 LNCXNPRGQBIBHX-DLBZAZTESA-N 276.464 4.784 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H](CC)C1 2291573656 PDZQIFBZQLJVBA-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)c1cc(C)c(C)s1 2291712101 SQLANYHBJLYQME-CQSZACIVSA-N 296.432 4.644 30 10 CJEE C=CC[C@](C)(CC[C@H](C)CCCC(C)C)OCC(=O)O 2291751715 HEBOLXPIFBHTRB-NVXWUHKLSA-N 284.440 4.665 30 10 CJEE C=CCC[C@](C)(CC1CCC(CC)CC1)OCCCN 2292856750 PKFUIWDKDZJEDY-DAWZGUTISA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@](C)(OCCN)c1cccc(Cl)c1 2292885747 QNIMYZSSQFGEDD-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1cc(C)ns1 2293240656 NQUFNLFOUAPITG-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CC1(F)F)OCCN 2293551486 GZSDREFPDGGORP-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@@H](CC1(C)CC(C)(C)C1)OCCN 2293758396 FIDLRFVGSXCHNO-INIZCTEOSA-N 283.500 4.907 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(NCC)C(C)(C)C 2295763794 MGJGNHLMBWXYGL-WBVHZDCISA-N 298.540 4.854 30 10 CJEE CC(=O)C=Cc1oc2ccccc2c1-c1ccc(C)o1 2297313799 JIIZDBWDGXMFMZ-UHFFFAOYSA-N 266.296 4.603 30 10 CJEE O=C1C(=Cc2cccc(Cl)c2)CSc2sccc21 2297562945 FECFIVWNPOTJPZ-UHFFFAOYSA-N 292.812 4.774 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccccc1Br 2304060011 UBLYEGUWBJPUOO-HNNXBMFYSA-N 295.220 4.553 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NCC)c(C)c1 2313690449 XIUFFDAPGDXUGE-UONOGXRCSA-N 263.450 4.722 30 10 CJEE CCCCCCCCCC[C@@H]1CCNCC1(F)F 2316683788 QRTZCMNSGLTUAD-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCCCCCC[C@H](C)NC1C[C@@H](C)S[C@H](C)C1 2317712322 YEJFVYUVDXRYMO-RRFJBIMHSA-N 271.514 4.998 30 10 CJEE CCCCCCCCCCCOCC[C@H](N)CC 2319026217 GQRZPCPFWXDEFM-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NC 2321115827 HIVWQGMZWBYLSA-RRFJBIMHSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1cccc(Cl)c1Cl 2321222563 BMRMQQYVLJGZHC-ZFWWWQNUSA-N 287.230 4.889 30 10 CJEE C=C[C@@H](CCCCC)OCC1(CS)CC(C)(C)C1 2321709153 AQAADTQDARSWBF-AWEZNQCLSA-N 270.482 4.874 30 10 CJEE CC(=NOCCCc1ccccc1)c1ccc(C)c(C)c1 2330451630 LZZFOGFYRKNFDI-UHFFFAOYSA-N 281.399 4.677 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333365894 YRQQQIOCGRSTBL-KFGODFMUSA-N 261.453 4.667 30 10 CJEE C=CCCCCCCC[C@@]1(N)CC[C@@H]2[C@H](C1)C2(F)F 2333705998 CCKXMYUQHDHSBI-QLFBSQMISA-N 271.395 4.666 30 10 CJEE C=CCC(CC=C)SC[C@@H]1CCC[C@@H](NCCC)C1 2335099827 CBOQWKIJWWDROG-HZPDHXFCSA-N 281.509 4.799 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1ccccc1CC 2335198433 VGHNFFBWTALLPQ-WMLDXEAASA-N 277.477 4.597 30 10 CJEE C=CCC(CC=C)Sc1nc(CNCC(C)C)cs1 2335240317 AXPDSQIZXOVWAO-UHFFFAOYSA-N 296.505 4.502 30 10 CJEE CN[C@@H](C#CC1CCC1)c1ccc(-c2cccs2)s1 2337579368 BNUAVCKLHKLPMW-ZDUSSCGKSA-N 287.453 4.541 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)[C@@H](CCC)C(C)C 2338234051 BBDSDLQWBHBLTF-IRXDYDNUSA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC 2338743047 BJCWYDIXDUZZCC-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)C)CCS[C@@H](C)C1 2338743357 DXCKQQMLKGWYCJ-DOTOQJQBSA-N 281.509 4.655 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339375972 LERURJYGBRRCNO-KURKYZTESA-N 261.453 4.657 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1c(Cl)cccc1Cl 2339571443 FYBWJMIOIBPWQL-FZMZJTMJSA-N 296.241 4.694 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc(F)ccc1C1CC1 2341692973 OWXOKUUOGWAEIC-CYBMUJFWSA-N 261.384 4.538 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(CC(C)C)c1 2341931240 XZFVLDSDWGTDSP-SFHVURJKSA-N 259.437 4.892 30 10 CJEE N#CC1(CC[C@@H]2CC[C@@H]2C2CC2)C[C@@H]2CC[C@H](C1)S2 2342546119 MKTFNFUSTQSXAL-LADIWZGKSA-N 275.461 4.771 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 2343408275 NJOBQGAKLZMQFK-OUAUKWLOSA-N 296.197 4.606 30 10 CJEE C=C(F)CN(C)[C@H](CC)c1ccc(C(F)(F)F)cc1 2343733279 BHVHXWOZSDTNHR-CYBMUJFWSA-N 275.289 4.572 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1nccc2sccc12 2344339300 HYUCCUKLGCHOLT-OAHLLOKOSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc2cc(C)ccc2o1 2344339424 JDKFXTRPCUCOFS-INIZCTEOSA-N 257.377 4.604 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(CSC)c1 2344379830 PKWNDYQACNGSDN-PBHICJAKSA-N 277.477 4.803 30 10 CJEE C=CCC(C)(C)[C@H](CC#CC1CCCC1)NCCC 2344399134 ZUCXQUYPSRTNRE-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1nc(C)cc2sccc12 2344456175 BKIUIKZYGHUGKA-CVEARBPZSA-N 275.417 4.631 30 10 CJEE C=CCCCCCCCS[C@@](CC)(C(=O)O)C1CC1 2352163829 QWJOZNWGLNLBFL-MRXNPFEDSA-N 284.465 4.890 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CCCC(F)(F)CC1 2352167688 GWMMMSAZULSFGL-TZMCWYRMSA-N 294.451 4.953 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NN 2355641070 GRVVIOMDPAFKKS-XWTMOSNGSA-N 280.500 4.785 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359069099 HEROAUSMTYUKSY-XLAORIBOSA-N 282.468 4.693 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCc2ccccc21 2359609974 LYJIALFRJTZKMO-LKCYJCQHSA-N 265.400 4.611 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1C[C@@H]2CC[C@H]1O2 2360179287 AZRXGOHEIKFYFO-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)S[C@@H](C(C)C)[C@@H](N)c1ccccc1 2360203499 ZJQQDMRBCURWCZ-ROUUACIJSA-N 289.488 4.965 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219949 PCSIDPLLLMUDCL-BBRMVZONSA-N 293.838 4.664 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1ccccc1C#N 21012793 LAFYKJFWFBQPJC-CYBMUJFWSA-N 251.329 4.864 30 10 CJEE Cc1ccc(Sc2c(C#N)cnc3ccccc23)c(C)c1 36913491 UPRIOOLXZKZXJW-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE CC(C)c1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 37393323 DZLXYVXCGYMDKZ-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1cccc(Cl)c1 50429254 ZYDGNZNPQZHZND-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1ccccc1Oc1ccccc1 54823169 VYWMRUDVPKJHHQ-GOEBONIOSA-N 278.355 4.583 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Nc1ccc(-c2ccccc2)cc1 54829096 DTBBYGYZRIEZBZ-HKUYNNGSSA-N 276.383 4.848 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(OC)cc1F 59332682 XBCCRCJJOOOTFL-KRWDZBQOSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(=O)OC)ccc1F 59426999 YBVCUSJUXMOQNG-CYBMUJFWSA-N 295.398 4.773 30 10 CJEE CCCCCCCCNc1cc(C(=O)NCC)ccc1C 59469233 YYVUAUPVRYBJQO-UHFFFAOYSA-N 290.451 4.517 30 10 CJEE C=CCCC[C@@H](NCCC)C1(c2ccccc2)CCC1 71277376 CMWUNFHJLNNCQL-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CC(C)(C)c1nc(-c2ccc(Cl)cc2)sc1C#N 82439052 BMBYFYPIYAAYDE-UHFFFAOYSA-N 276.792 4.633 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@@H](C(C)C)CC1 86949201 XXNKBSSXUAGKKX-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87973390 YNMVPDBVHMXHKS-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE CCCCCCCC(=O)Nc1ccc(OC)c(Cl)c1 100168745 RFDONUJMMRHUJS-UHFFFAOYSA-N 283.799 4.648 30 10 CJEE CCCCCCCn1cc(C#N)c2cc(OC)cc(C)c21 107041189 YGUDWEYVNBUNIE-UHFFFAOYSA-N 284.403 4.800 30 10 CJEE CCCCCCCCOCCCCCNC(C)C 107346499 SHAFGOKNTXEEEP-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCCCC(=O)c1ncccn1 109709430 QVLQBAANMPGPMG-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE CCCCCCCCCCCCC[C@H](O)COC 109997234 SYXNAAAUZAOEOL-INIZCTEOSA-N 258.446 4.695 30 10 CJEE Cc1ccc(C)c(Nc2ccc(C#N)cc2Cl)c1 110252745 ZSHPYFLUXZGMAS-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1ccc(C)c(Sc2ccc(C#N)cc2Cl)c1 110354120 CCCHWVRWOQFJHB-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCC[C@@H](CN)Cc1cccc(Cl)c1 110464767 UDWZQOMTVPHBOF-OAHLLOKOSA-N 267.844 4.818 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)CC2CCCC2)C1 110836763 SQPPTDNURXSNNR-KZNAEPCWSA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@@H](CSCCC)NCCC 115802759 MRSSSADRTGXGHT-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@@H](Cc1nc2ccccc2o1)NC 115999837 MQMCFBSMOSABBM-HNNXBMFYSA-N 288.435 4.709 30 10 CJEE CCCCCCCC[C@H](C)CNCC(F)(F)F 122332112 CEHZFSDKUGYTPX-LBPRGKRZSA-N 253.352 4.525 30 10 CJEE CC[C@@H](C)c1ccc(NCc2ccc(C#N)s2)cc1 125112452 BXDIPYGQBXPPHW-GFCCVEGCSA-N 270.401 4.745 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(C#N)c(C)c2)cc1 126337603 RHQFJCLFVLYIEN-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](OCC)C(C)C 128334209 ZHGSKHMTJYMESX-SJORKVTESA-N 271.489 4.906 30 10 CJEE CCCCCCC[C@H](C[C@@H](CC)CCCC)NN 128791571 FFNQJUFNTKEPDA-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H](OCC)C1(C)C 129261294 BWUWMRDSSCTZHU-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCNCc1c(Cl)c(C)nn1C 129353265 MFMNSBKJPMNZMJ-UHFFFAOYSA-N 299.890 4.612 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@]1(C)CCCS1 139562770 URJBAXXYRBUVLI-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCC[C@H](NC)c1sc(C)cc1C 164626757 RWNANGGQLNJMAG-AWEZNQCLSA-N 253.455 4.986 30 10 CJEE CCCCCCCCC(=O)c1cc(OC)cs1 164756766 XTNDMMWLHOYIFT-UHFFFAOYSA-N 254.395 4.690 30 10 CJEE C=CC[C@H](CCCCC)[Si](C)(C)c1ccccn1 196004311 IKTAGGQXNPVYJQ-OAHLLOKOSA-N 261.485 4.524 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2cccnc2c1 228958874 XXFLTAWGOYQRIF-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE CC(=O)c1ccc(Oc2cc(C#N)ccc2C)cc1Cl 232320653 IJKMPKKDKHIUIH-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE CCCCCCCCOCc1cc(F)ccc1C#N 232924099 MTMGMWRPBXCZKN-UHFFFAOYSA-N 263.356 4.574 30 10 CJEE CCCCCCCCN[C@@H]1c2ccccc2OC1(C)C 232937064 OGPJMMFLTSNUDP-QGZVFWFLSA-N 275.436 4.849 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C)c1Br 233599517 ZOUUUDDDCCVJBF-CQSZACIVSA-N 296.252 4.764 30 10 CJEE C=CCCCCC[C@H](NC)C(C)(C)c1ccccc1 234419521 CVSJCAFBVFHWOL-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)CC1 235642106 WBDDVDXIKZDIHX-WCQYABFASA-N 262.784 4.592 30 10 CJEE Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c(C#N)c1 235912940 ATRSTPDZNWOPLV-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C=CCCCCC[C@H](N)CSc1ccccc1Cl 236301401 ZQNYSKVEQADTLI-ZDUSSCGKSA-N 283.868 4.896 30 10 CJEE CCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 249800485 MWWFXDYJVZXIRA-RRFJBIMHSA-N 251.414 4.548 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccc(Cl)cc2)C1 252219286 ZYOHZYVDPPVYFP-GKLJAUDBSA-N 290.838 4.661 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(CCC(C)=NO)cc2)C1 252464111 FCPMRCBATWVWHD-YJBOKZPZSA-N 289.419 4.817 30 10 CJEE CC#CCC[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 253025815 DBQOODKWJZFVEA-HOJAQTOUSA-N 285.475 4.988 30 10 CJEE CC(C)c1ccc(C(C)C)c(CC(C)(C)C#N)c1O 260478185 ILXBSIAPFYIBPP-UHFFFAOYSA-N 259.393 4.731 30 10 CJEE N#CC1(c2ccccc2SC2CCC2)CCCC1 260839863 LNSZRFQKUHQUQH-UHFFFAOYSA-N 257.402 4.667 30 10 CJEE C=CCCCCCCNCc1cc(Cl)ccc1F 310850853 CXLJULKNKWUYOI-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc2ccccc2c1 311674442 ZCTSGWGCRFANSN-HNNXBMFYSA-N 253.389 4.847 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(OCC(C)C)cc1 312856230 YQRPJKDEJIZHSY-INIZCTEOSA-N 275.436 4.728 30 10 CJEE CCCC1CCC(C=O)(CCc2ccsc2)CC1 316755142 BWTKZDMBOCGQDB-UHFFFAOYSA-N 264.434 4.856 30 10 CJEE CC(C)NC[C@@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 317408648 OMXSGDVGINFHMS-FUHWJXTLSA-N 263.469 4.621 30 10 CJEE CC(C)(C)c1ccc([C@]2(C)CC[C@@](C)(CC#N)O2)cc1 383779038 SWBFSMJVVTYSTG-ROUUACIJSA-N 271.404 4.682 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(Cl)c(Cl)c1 384768222 BLAWEVTUBDOZMP-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@]1(O)CCCC[C@H]1C(C)(C)C 385252479 XESYLEBFELMOQJ-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE C=CCCCCCCNCc1cc2ccccc2o1 388409021 HETORDTYBAFSQP-UHFFFAOYSA-N 257.377 4.659 30 10 CJEE CCCCCCCNC(C)(C)COCc1ccccc1 390012489 LQSSEBOQZQZFME-UHFFFAOYSA-N 277.452 4.542 30 10 CJEE C=CCSCCN[C@H](C)c1c(Cl)cccc1Cl 401015762 PWAPVTGHIPWZAF-SNVBAGLBSA-N 290.259 4.563 30 10 CJEE CCCCCCCCC[C@H](NC)C1CCSCC1 401915246 SDZXPDKOKQHQMX-INIZCTEOSA-N 271.514 4.858 30 10 CJEE CC[C@@H](OCCCCC(C)(C)C#N)c1ccccc1 403207860 PDDQJKSFNDMVLV-MRXNPFEDSA-N 259.393 4.874 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1 686681515 RHRHUSFXFZVLQU-KURKYZTESA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc2ccccc2o1 686687939 ASUZUQAUOOMYAV-MRXNPFEDSA-N 269.388 4.667 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H](C)CC(C)(C)C 686691935 XHCFGESETJYVTP-CVEARBPZSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@H](O)C1CC(C)(C)CC(C)(C)C1 686693082 SCBSHSPWULGRDU-INIZCTEOSA-N 264.453 4.784 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)nc(C(C)C)n1 692242335 NXSLMEUDMVIWFE-OLZOCXBDSA-N 293.842 4.800 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2cc3cscc3s2)CC1 693992187 DUAIDXSDJQRDSP-CUMGRINNSA-N 291.441 4.716 30 10 CJEE C=CCCCCC[C@H](O)c1ccsc1Br 698641602 PERFXYJSZFSRNR-NSHDSACASA-N 289.238 4.681 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)Oc1ccccc1 700708165 JCBFROPZKKWTPC-WMZOPIPTSA-N 277.452 4.922 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)(C)C 702266856 OQMAJKHYHITBBN-IINYFYTJSA-N 284.230 4.692 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CCOC1(C)C 703055664 DEIPMCRAXRTICF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCCC[C@@H]1CC 704004981 BUOYIZVJYKNFKC-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C#C[C@H](N[C@H]1CCCC[C@H]1C1CCCCC1)C(C)(C)C 705220093 VZACGDSCOSGKJZ-BZSNNMDCSA-N 275.480 4.763 30 10 CJEE CCCCCCCCC[C@H](O)c1cnc(C2CC2)o1 707561422 LGTNPGLXBYECPR-AWEZNQCLSA-N 265.397 4.726 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1C[C@H]1OC 709685266 GZFOHGFZAOKWRD-IXDOHACOSA-N 269.473 4.660 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)c(Cl)c1 709972037 PYFNZDNTSVOZSF-SECBINFHSA-N 271.191 4.734 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C 710615279 GUJXMMCPGYSDNB-KGLIPLIRSA-N 257.849 4.570 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H](C1CCCC1)C1CCC1 711833934 OCGMSLFUHFTLCF-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE CC(C)CCCC/N=C1/NC2(CCCCCC2)CS1 713182768 VFNCONRWWQHGDT-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE C=CC[C@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 715708886 JYSCUQNEBXXKKA-HNNXBMFYSA-N 280.367 4.661 30 10 CJEE CC1(C)CCCCC[C@H]1/N=C1/NC2(CCCCC2)CS1 718960598 HRKQHICQKLGYBG-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H]2CCCCCC2(C)C)N1 718962027 RCMPSHSTLCXCBD-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCCC[C@@H](C[C@@H]1CC12CC2)NN 722832323 JEIYDSJUDPSZGX-SJORKVTESA-N 280.500 4.929 30 10 CJEE C=CCN(CCC)c1c(Cl)cccc1CNC(C)(C)C 723149373 LWOASNCSOHPZAN-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=CCCCN(C)c1cccc(Cl)c1CNC(C)(C)C 723187079 MKZBMYMOPDZTFU-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCCCCCCN[C@H](C1CCCCC1)C1CC1 723980080 DAHLMDHTKQKMJA-QGZVFWFLSA-N 251.458 4.905 30 10 CJEE C=C1CCC(C[C@H](N)c2ncc(Cl)cc2Cl)CC1 724550666 VYVSUKBKRAWVAL-ZDUSSCGKSA-N 285.218 4.525 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)c(C)c2)CC1 724554768 YXXOIWNZZLFAGC-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 724567085 SVENUEJOWYEAND-OAHLLOKOSA-N 284.321 4.875 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@H]3CC[C@H]2C3)NC)CC1 724581880 HSWNAISOXCDQSD-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NCC)C2C(C)(C)C2(C)C)CC1 724619086 SILZERZWEKOKLM-HNNXBMFYSA-N 263.469 4.783 30 10 CJEE N#Cc1c(OC(F)(F)F)cc(C(F)F)c2sccc12 725291566 SFOMGZGZVBEYEB-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@]2(C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 725352091 RKEXLVQYMUZVDQ-IGCXYCKISA-N 278.245 4.685 30 10 CJEE CC/C(=N\OCc1cccc(F)c1)c1ccc(Cl)cc1 821220223 ZLOVHCGHDYEZLZ-KNTRCKAVSA-N 291.753 4.810 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCCCC1 931060872 XXZDJJUCXGWTJL-UHFFFAOYSA-N 286.419 4.556 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1129235650 NQVJUAUKADSZLF-JKSUJKDBSA-N 299.458 4.694 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 1134626892 SNOWJRHUOOWKSA-LJQANCHMSA-N 291.394 4.778 30 10 CJEE C=CCCN(CC(C)C)[C@@H](C)c1ccccc1Cl 1170243220 CIZCRIBNWDVNJQ-AWEZNQCLSA-N 265.828 4.935 30 10 CJEE C=CCC1(NCCCOc2ccccc2C)CCCCC1 1196953492 XSJPMBMMWDCYQU-UHFFFAOYSA-N 287.447 4.633 30 10 CJEE C=CCCC(C)(C)CNC[C@H](CC)c1ccccc1 1203338243 AMPJDAKWTYDMLI-INIZCTEOSA-N 259.437 4.762 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 1210299452 KDYWKNKXJBEDBY-SJLPKXTDSA-N 298.430 4.668 30 10 CJEE C=CCCCC[C@H](C)NCCC1CCC(F)(F)CC1 1308975259 SJYAZVUADUWLJH-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C=C(C)CCC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 1350089754 SDYHXBIEMSJXGK-OAHLLOKOSA-N 277.408 4.634 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1cc2ccccc2o1 1459147193 JJQQPENTWYGDFV-LBPRGKRZSA-N 272.344 4.639 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1cccc(F)c1 1459339765 ANJCUYMWINJESJ-OAHLLOKOSA-N 299.389 4.584 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)c1ccccc1 1459507905 DRFJJNDYZRFTRQ-ROUUACIJSA-N 299.458 4.631 30 10 CJEE C=CCC(C)(C)CNC(=O)C1CC(C)(C)CC(C)(C)C1 1460377850 JPEYSDAHDBDOSO-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=CCCC1(CN[C@H](C)C2CC(F)(F)C2)CCCC1 1462430796 SXAFBWCYRDSIHR-CYBMUJFWSA-N 271.395 4.536 30 10 CJEE C=CCCc1ccccc1NC(=O)NC1(CC(C)C)CC1 1466315650 PWCCTEACPGGGJJ-UHFFFAOYSA-N 286.419 4.505 30 10 CJEE C=CCC1(NC(=O)NCC(C)(C)CCCCC)CCCC1 1469263511 GVBHGEYZOULCER-UHFFFAOYSA-N 294.483 4.781 30 10 CJEE C=CCn1ncc2ccc(NC[C@H]3CCCC[C@@H]3CC)cc21 1474729505 GCMZPPHUHCLUHU-JKSUJKDBSA-N 297.446 4.851 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2occ(C)c2c1 1476438160 GODBXQBUUCORQX-OAHLLOKOSA-N 298.386 4.704 30 10 CJEE C=CCCC[C@H](C(=O)N1C[C@H](C)CC[C@@H]1C)c1ccccc1 1532594059 XOQLABCLIOCTKB-AOIWGVFYSA-N 299.458 4.774 30 10 CJEE Cc1cccc(Cl)c1CSc1cccc(C#N)c1 1559379191 HODNCAFHWRILBY-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE C=CCCCCCN(C)C(=O)c1[nH]c2ccc(C)cc2c1C 1586583308 GRLHOXCXMRQDGU-UHFFFAOYSA-N 298.430 4.603 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@H](C)C(C)(C)C1)c1ccccc1 1624824455 OFIWVDDXAWNFKO-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C=CCCCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1642782080 QGDGKRFGTZEINA-OTWHNJEPSA-N 269.432 4.611 30 10 CJEE C=CCCCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 1644875894 APTRDFRSOQGBQJ-UHFFFAOYSA-N 298.405 4.752 30 10 CJEE C=CC[C@H]1N(Cc2ccc3ccccc3n2)CCCC1(C)C 1645452960 AZZQUOWKVYMZPN-LJQANCHMSA-N 294.442 4.802 30 10 CJEE C=CCCCN1c2ccccc2C[C@@H]1Cc1ccccc1 1647989545 IVKBDVKJBJTGAN-IBGZPJMESA-N 277.411 4.627 30 10 CJEE C#CCC1(NCc2cccc(OCC(C)C)c2)CCCCC1 1648418640 OJVVHWACWVZIHC-UHFFFAOYSA-N 299.458 4.537 30 10 CJEE C=CCCCCCN1CC=C(c2ccc(OCC)cc2)CC1 1653810800 ODOIHNXVDAISHG-UHFFFAOYSA-N 299.458 4.921 30 10 CJEE C=CCCCCCN1CCc2ccccc2[C@@H]1C(C)C 1657547658 HXACZNDORRJPFH-IBGZPJMESA-N 271.448 4.988 30 10 CJEE C=CCCCCNC1(c2ccc(F)cc2)CCCC1 1657724952 DWJKRCMUBLZYIH-UHFFFAOYSA-N 261.384 4.541 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(SC(C)C)cc1 1657931251 CTAQHKKTXATMEQ-CQSZACIVSA-N 263.450 4.804 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc2c(c1)C[C@@H](C)O2 1660107509 OCXJQBPOIBNAKJ-LSDHHAIUSA-N 273.420 4.947 30 10 CJEE C=CCCCN(CC)CCCc1c(F)cccc1Cl 1660155174 KATZUSGGLSLCGW-UHFFFAOYSA-N 283.818 4.700 30 10 CJEE C=CCCCC[C@@H](C)NC1CCC(CSC)CC1 1664821644 WSFMYJCNHSNFTR-QQFBHYJXSA-N 269.498 4.633 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ncccc1O 1865986074 MDASLUOCZAUBMS-UHFFFAOYSA-N 292.423 4.647 30 10 CJEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 1874616262 QDFQITUBAIUCON-MDWZMJQESA-N 292.378 4.846 30 10 CJEE C=CCSc1ccccc1NC1CCP(C)(=O)CC1 1879131067 CPFXPBGLTPQMIY-UHFFFAOYSA-N 295.388 4.532 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)[C@H]1CCCC2(CC2)C1 1879779867 LIRLRTVXWJULMA-WFASDCNBSA-N 274.795 4.614 30 10 CJEE C=C(C)CN(CCC[C@@H]1C[C@H]1C)Cc1ccccc1 1880948130 NVMWFEMNLYNGIG-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE CC#CCCCC[C@H](CCC1CCCCC1)NCC 1885266406 YXSQQKADJINSLB-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=C1CCC(C[C@]2(O)CC[C@H]3CCCC[C@H]3C2)CC1 1886401171 DOZWALUPKPPJKJ-FGTMMUONSA-N 262.437 4.844 30 10 CJEE C#CC[C@@H](COc1ccccc1[C@@H](C)CC)C1CC1 1887073403 JSFBFVYVLJCNKC-HOCLYGCPSA-N 256.389 4.628 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1cccc2ccsc12 1887503131 YHXCDZANSIORKL-CZUORRHYSA-N 271.429 4.601 30 10 CJEE C=CCC(C#Cc1ccc(Br)cc1)CC=C 1900983571 NTVRZLZZGRRUPJ-UHFFFAOYSA-N 275.189 4.569 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1OCC[C@H]1C)NC 1918090473 RUFPESADRIDABS-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(F)c(F)c(F)c1 1919880650 DQVUHGJBLDTASJ-HNNXBMFYSA-N 274.326 4.672 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NC)C1CCC(C)CC1 1920800709 QHUAMZNXSHUBKS-FOIPXRHGSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC(C)C)NCCC 1920913506 SOCNCVBOJZRASC-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=C([C@H](NC)C(C)(C)C1CCCCC1)[Si](C)(C)C 1923016575 SJKCEOQANXQNHR-HNNXBMFYSA-N 267.533 4.615 30 10 CJEE CCCCCCC[C@H]1Nc2cc(Br)ccc2O1 1940896359 RZDXBHXITZIJNI-AWEZNQCLSA-N 298.224 4.940 30 10 CJEE C=CCN(Cc1ccccc1)C[C@]1(C)CCCC1(F)F 1953894805 UUFZHECVPAOTED-INIZCTEOSA-N 279.374 4.500 30 10 CJEE C=C1CCC(CC(=O)C2CC(OCc3ccccc3)C2)CC1 1958671487 GVVVMKRLZGBPHN-UHFFFAOYSA-N 298.426 4.687 30 10 CJEE O=C(C=C1CCCC1)c1ccc(Cl)cc1Cl 1983528880 SPNWQTVPJRSZEB-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE C=CCCCC[C@H](N)c1cccc(C)c1Br 1984513810 YEMIIUKYYCPJHJ-ZDUSSCGKSA-N 282.225 4.504 30 10 CJEE C=CCCCCNc1ccc(Br)c(C)c1C 1984522534 VCTKUIRRFJFZLB-UHFFFAOYSA-N 282.225 4.834 30 10 CJEE CCCC#CCNc1c(Cl)cc(Cl)cc1Cl 1994166560 KKHXGMRPZTTYBF-UHFFFAOYSA-N 276.594 4.862 30 10 CJEE C=C([C@H](NCC)c1snc(Cl)c1Cl)C(C)(C)C 2002113671 YMZALICVWZWHJV-VIFPVBQESA-N 293.263 4.703 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C)cc(Br)c1 2009480912 CQQJAELAMSRPDH-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC#CCCCCC(=O)c1cc(Br)ccc1C 2019541618 YWKLAYTYIRXBBX-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CCCCC#CC[C@H](N)c1ccc(Cl)cc1Cl 2024351909 NHHONRXVUSORMH-AWEZNQCLSA-N 270.203 4.577 30 10 CJEE CCCCC#CC[C@H](NC)c1scc(Cl)c1Cl 2024367786 OIQUGKJQAKSLET-NSHDSACASA-N 290.259 4.899 30 10 CJEE C=CCCCCCCNCC1C[C@H](C)C[C@@H](C)C1 2030242953 TYWHVEAUFKNRHR-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE O=CC1(C[C@@H]2CCC[C@@H]2C(F)(F)F)CCCCC1 2031716919 IECPHDLEXYSRDO-RYUDHWBXSA-N 262.315 4.505 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(C=O)CCCC2(C)C)C1 2032105910 XAFPYQDSDMZJJP-WBTNSWJXSA-N 250.426 4.844 30 10 CJEE 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C=C1C[C@H]1CC[C@@H](NCCC)c1ccc(Cl)cc1 2050540297 VIAPIQKVCULGLY-GDBMZVCRSA-N 263.812 4.737 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cccc2sccc12 2053065883 ALBTULIOLYLCGB-SWLSCSKDSA-N 259.418 4.764 30 10 CJEE O=C(C1=CCCCCC1)c1cc(Cl)c(F)cc1F 2058868119 SFRILSCKUKGWIZ-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE C=CCCCC[C@@H]1CCCC[C@H]1CNCC(C)C 2059114033 GDMCIJWUIPYBKF-SJORKVTESA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@H](N)c1cnc2sccc2c1 2061002377 KUSSKZHZXOZUNV-CQSZACIVSA-N 262.422 4.657 30 10 CJEE CC1(C)CCC[C@](C#N)(Cc2cscc2F)CC1 2061437024 WICNPYDTKTTXCT-OAHLLOKOSA-N 265.397 4.930 30 10 CJEE C=C(F)C[C@@H]1CC(C)(C)CC[C@H]1CNCC(C)C 2062223219 XNSJTRDGGKTGIF-LSDHHAIUSA-N 255.421 4.548 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C1(C)CCCC1 2067507539 CHJLSYFAPJVQFJ-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCC[C@H](CC)N(C)[C@@H](C)CC(C)(C)C#N 2073414758 KSEXEEVEGZTVJA-GJZGRUSLSA-N 252.446 4.605 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H](CC)CC(C)C 2073672913 UQMNQLBRMHMWGJ-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE C=CCCCCC[C@H]1CCCC(C)(C)[C@H]1NCC 2076401511 LZAOMXVSOSCMKW-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C[C@H](n1nc(C2CCC2)c(C#N)c1C(F)F)C(C)(C)C 2078980627 HLUOTPNJEOYFTP-VIFPVBQESA-N 281.350 4.567 30 10 CJEE CC1(C)CC(CC[C@@H]2CC[C@H]3O[C@@H]23)CC(C)(C)C1 2083034260 YWOHUAXEPPJYCR-KFWWJZLASA-N 250.426 4.797 30 10 CJEE CCCCCC#CC[C@]1(O)CCCCC[C@@H]1CC 2083397440 OUFLHSCZHHUPGH-IRXDYDNUSA-N 250.426 4.682 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1ccns1 2085840599 ZUOKXNQNKFKKCZ-CQSZACIVSA-N 266.454 4.710 30 10 CJEE C=CCCCCCCCCCN(C)CCCSC 2086238262 ZGVYAYLNLSDMIQ-UHFFFAOYSA-N 271.514 4.978 30 10 CJEE C=CCCCCCCCCCC1(C(=O)OC)CC1 2086279592 VPFPSNMCTAYJRD-UHFFFAOYSA-N 252.398 4.637 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccccc1C(C)C 2087782489 LHWPRBOGHZMJGM-KRWDZBQOSA-N 257.421 4.510 30 10 CJEE CC1(C)CCC(CC2(C=O)C[C@@H]3CC[C@H](C2)S3)CC1 2089734263 GHMOJARYAKHSAP-FKEKPDDDSA-N 280.477 4.836 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C(C)(CC)CC 2091562790 TWKYDIBDEVBBRL-JKSUJKDBSA-N 271.489 4.642 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCC[C@@H](F)C2)CC1 2095997758 FSOPXILDSVBXCN-BBWFWOEESA-N 267.432 4.629 30 10 CJEE C=C([C@@H](Cc1ccc(Cl)cc1)NCCC)C(C)(C)C 2096622599 WTZQNHYKADJVDJ-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE C=C([C@@H](NCCC)[C@@H](CC)CC(F)(F)F)C(C)(C)C 2096623550 DFCNEUXFRCOAFL-QWHCGFSZSA-N 279.390 4.936 30 10 CJEE CCCCCCC[C@@H](NCC)c1coc(C(F)F)n1 2097219713 QONAWGWRCRMIJL-LLVKDONJSA-N 274.355 4.623 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C(F)(F)F)ns1 2098801785 NCLXUPPOPZSSAL-JTQLQIEISA-N 294.386 4.912 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CC[C@]2(C1)CC2(F)F 2099937259 KTYMQODLFGVPME-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE C=C1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 2101213640 XSTNPKAPOOTMHF-KRWDZBQOSA-N 275.823 4.880 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ncsc1C1CC1 2102108938 VSNSNGPMTDFZLS-GXTWGEPZSA-N 278.465 4.664 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1F 2102113529 ZMKXWBYUKOLFPF-WMLDXEAASA-N 263.400 4.777 30 10 CJEE C=CCC[C@@H](NCCC)[C@H]1CC12CCC(F)(F)CC2 2107084950 YIAZKPIIRPGNNR-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CCCCCCCCC(=O)C(C)(C)[C@H]1CCCCO1 2107722007 DAQRXWUMDWBMKW-MRXNPFEDSA-N 268.441 4.901 30 10 CJEE CCC(C#N)(CC)[C@H](O)C1CCC(C(C)(C)C)CC1 2108215690 JJATWOJRBVFOHI-YMAMQOFZSA-N 265.441 4.530 30 10 CJEE C[C@@]1(C[C@]2(C#N)C[C@H]3CC[C@H]2C3)CCCCC1(F)F 2111661372 UDBFFBVNKKBBFX-AJNGGQMLSA-N 267.363 4.922 30 10 CJEE C=CC1(C[C@H](N)c2ccc(CC(C)C)cc2)CCC1 2111712348 WGYNMIXVQZELCO-KRWDZBQOSA-N 257.421 4.631 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(F)ccc2C)CCC1 2111718958 BASQEHGHCSSAIQ-MRXNPFEDSA-N 261.384 4.531 30 10 CJEE C=CC1(C[C@@]2(CNC(C)(C)C)CC=CCC2)CCC1 2111719476 DGRYQCZALGNFRU-GOSISDBHSA-N 261.453 4.847 30 10 CJEE CCCCCCC[C@@H](C)NCCC1(OC)CCCC1 2112619004 NZQUWHOOYKGFSV-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cnc(CC)s1 2114343343 BGXBRAZVVIBBPO-CQSZACIVSA-N 280.481 4.883 30 10 CJEE C=C(C)C[C@](C)(O)c1ccc(-c2ccccc2)cc1 2114566351 CDYBWQUJTRGOCR-SFHVURJKSA-N 252.357 4.527 30 10 CJEE CC[C@H]1NC(=NCC2(C)CCCCCCC2)S[C@H]1C 2116018261 NQCYZFWMAROXCC-UONOGXRCSA-N 282.497 4.597 30 10 CJEE C=CCCC[C@H](NCC)c1nc(C)c(C(C)(C)C)s1 2116486250 NOULYBKXZAYTEO-ZDUSSCGKSA-N 280.481 4.756 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1c(F)cccc1Cl)NCCC 2116659317 YGEZXNJQOSCIJH-STQMWFEESA-N 283.818 4.602 30 10 CJEE C#CCCCCC(=O)c1ccc(SC(F)(F)F)cc1 2116847749 NKTRFVWREGTZRM-UHFFFAOYSA-N 286.318 4.675 30 10 CJEE C#CCCCC[C@H](NCC)[C@H]1CCC[C@H](CC)CC1 2116877254 RWTRJRKPMMNDAH-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE O=C[C@@]1(C[C@@H]2CC23CCCCC3)CCCCC12CC2 2117058866 QNMYTHIFBHGMRV-YJBOKZPZSA-N 260.421 4.886 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(C)CCOCC1 2117352096 ZBDKKTCLSUKILF-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCOC[C@H](N)c1ccsc1 2118972481 NKGZXLRDAHJGKQ-INIZCTEOSA-N 283.481 4.905 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2F)cc1 2120715672 DJCZTDHUCLTFQZ-NSHDSACASA-N 273.738 4.634 30 10 CJEE C[C@@H]1CCCC[C@@H]1CNc1cc(Cl)c(C#N)cc1F 2120890989 JQAHHSPOCHYZER-GHMZBOCLSA-N 280.774 4.589 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2122683274 GHKSUKJTSGAZOZ-ZANVPECISA-N 291.744 4.961 30 10 CJEE C=CCCCC[C@H](N)c1ccc(C)c(C(F)(F)F)c1 2123081572 YEVYNIHMWMWJRU-AWEZNQCLSA-N 271.326 4.760 30 10 CJEE C=CCCCC[C@]1(CNCC(C)C)CCS[C@@H](C)C1 2123081827 AIDADOCWDOYMQU-IRXDYDNUSA-N 283.525 4.880 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)c1cscc1F 2125413069 ONBVQSZHQZMPPP-AWEZNQCLSA-N 286.412 4.572 30 10 CJEE C=C(F)C[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2126084371 AYQRDHTWQJULTI-GFCCVEGCSA-N 295.707 4.883 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)(C)C 2126089324 YCQNPFDCYAAWHG-ARFHVFGLSA-N 269.448 4.936 30 10 CJEE CC1(C)CC2(CC(C[C@@]3(C=O)CCCC3(C)C)C2)C1 2126797252 ZYOIBSSJANUSEV-GOSISDBHSA-N 262.437 4.988 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1 2127038756 XMGQSOYZNBKPBD-XMTFNYHQSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](O)C1CC2(C1)C(F)(F)C21CC1 2127566905 WJPXSTMCLNLDNT-OWYJLGKBSA-N 272.379 4.533 30 10 CJEE N#Cc1cc(F)c(Cl)cc1Nc1cc(F)ccc1Cl 2127973168 CAUKYWXEOBYFIO-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCC(CS)(CCC)CN(C)CC(F)(F)C(C)C 2128889154 YZXIBIWFZCOYLC-UHFFFAOYSA-N 295.483 4.726 30 10 CJEE CCN[C@@H](CCC#C[Si](C)(C)C)c1ccccc1Cl 2130921577 BPONPHAPEIDWNH-INIZCTEOSA-N 293.914 4.652 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H]1CC12CC(F)(F)C2 2133022009 GPQWEXNJGSSRRG-UONOGXRCSA-N 274.395 4.923 30 10 CJEE N#CC1(C[C@H]2CC3(CCCCC3)O2)CCCCCC1 2133052762 WBKMRUBZWWZISS-HNNXBMFYSA-N 261.409 4.732 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@H]1C[C@H]1C1CCCCC1 2135388317 WSLLOGDTKZNMFE-KBPBESRZSA-N 268.347 4.518 30 10 CJEE CCCCCCCCCO[C@]1(CN)CCCC[C@@H]1C 2136795754 VXXXVERYTIMRDP-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCC#CC[C@@H](O)c1cccc(C2CC2)c1 2138948413 SYFTXRMFNUETPX-GOSISDBHSA-N 256.389 4.571 30 10 CJEE CCCCCC#CC[C@@H](N)[C@H]1CC[C@H](CCC)CC1 2138985580 ROIDGYFXLZZYQR-KZNAEPCWSA-N 263.469 4.894 30 10 CJEE CC(C)C1(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CC1 2139129065 YPEOQPMGSLBAFX-ZDUSSCGKSA-N 296.197 4.606 30 10 CJEE C[C@@H]1C[C@@H]2CC[C@H](C1)N2CC1(CS)CCCCCC1 2140329141 JKZVYBQRGPUOSY-MUJYYYPQSA-N 281.509 4.520 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc(OC)c(Cl)c1 2141912896 CSCMDXFRRVTICG-OAHLLOKOSA-N 281.827 4.875 30 10 CJEE C=CCCCCCCCCC[C@@H](NCC)[C@@H](C)OC 2142436615 WQFFFAJHFFNUGF-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H](N)CCC 2142441021 KFFIVOWDVGXPLW-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](CCC)OC 2142443890 NIAMDUDIPXHUEK-IAGOWNOFSA-N 270.457 4.859 30 10 CJEE CCC[C@H](CC)Oc1ccc(C#N)c(C(F)(F)F)c1 2142457240 KUFDUVLDWSUHPS-NSHDSACASA-N 271.282 4.535 30 10 CJEE CSc1cccc(N[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1C#N 2146286141 UWWTUCCEWRQNMN-MQIPJXDCSA-N 286.444 4.517 30 10 CJEE CC1(C)C[C@H](Nc2ccc(C#N)c(Cl)c2)CC2(CC2)C1 2146884063 ZSEIKJXRPYTRQE-AWEZNQCLSA-N 288.822 4.982 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)[C@H]1CCCC[C@H]1C 2147024978 SGLGALHHBGBJNK-IKGGRYGDSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)C[C@@H]2CCC[C@@H]21 2147280289 PCMNONMFVQCGNZ-BQFCYCMXSA-N 280.452 4.637 30 10 CJEE CCCCCCC[C@@H](O)[C@H](NCC)c1c(C)csc1C 2147845643 FGWHTHLWJVYYSD-WBVHZDCISA-N 297.508 4.737 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]1(O)C=CCCC1 2148587313 CFPBZHFGPCQMID-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](O)C1(CC)CCC1 2148590621 MYNWWJUVVSSQCC-DLBZAZTESA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](N)[C@](C)(O)c1ccsc1 2148593941 CAWNXRSRZDTEIE-DLBZAZTESA-N 297.508 4.814 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](O)C(C)(C)C 2148599898 CYHHIZJSPQUUIP-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(O)CC[C@@H](C)C[C@@H]1C 2148623457 BQQCKJQGBRLIMY-OWSLCNJRSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]12CCCC[C@H]1OCC2 2149055893 IVIQDLURRBEQBD-KSZLIROESA-N 282.468 4.837 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)C1C[C@H]2[C@H](C1)C2(C)C 2149811757 IZMNYFLMZPSUCY-BPNCWPANSA-N 288.822 4.694 30 10 CJEE C[C@@H]1CC[C@H](C(C)(C)CC#CC2CCCCC2)[C@H](N)C1 2149850068 LAGZJVSBYKQNNM-BPQIPLTHSA-N 275.480 4.750 30 10 CJEE CC(C)(C)c1ccc(OCC#CC2CCCCC2)cc1 2149850422 NNDAWLZPHBYKLI-UHFFFAOYSA-N 270.416 4.947 30 10 CJEE CCCCCCCCC[C@@H](NN)C1C[C@H]2CC[C@H](C1)C2 2150506720 VXNXILQASLOXER-XYJFISCASA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](CN)C1CCC1 2151144458 NGQIHKOOBYIFHI-ZWKOTPCHSA-N 283.500 4.643 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)C(C)(C)C2CCCC2)CC1 2151470811 RXOXTNFSWZXTNS-OAHLLOKOSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@]1(CC)CC1(F)F 2153688256 BRJUVPOZDIQCEL-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCCCCCCC[C@H]1CNCCOC1 2154872623 GHSLPWISAOSVEK-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CC1(C)CCC[C@](C=O)(CCCOCC(F)(F)F)CC1 2157106516 OBWFLVOCRZPXME-AWEZNQCLSA-N 294.357 4.521 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)COC(C)(C)C1 2159385250 QGHYMFLJQBHOPT-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncoc1C1CC1 2160418746 PTSXTMSEUJWADO-HNNXBMFYSA-N 278.440 4.953 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=NC2CC(C)(C)C(C)(C)C2)N1 2160479296 CHGZXSVMYNZXFC-CYBMUJFWSA-N 296.524 4.698 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]1(O)CC[C@@H]1CC 2161946822 HIUICUDOBQUZSY-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](NCC)c1c(C)nn(C)c1Cl 2164176873 KHRALYVDWBCCFS-AWEZNQCLSA-N 299.890 4.783 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CC(C)=C[C@H](C)C1 2164211735 HRDBVHLNQGFPRP-CGTJXYLNSA-N 275.480 4.787 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@@H]2C(C)(F)F)CC1 2164432159 UVDPQJJTXHNKFR-PMPSAXMXSA-N 285.422 4.782 30 10 CJEE CCCCCCCCCC[C@H](C[C@@]1(C)CC1(F)F)NN 2164485632 BRFAPWXHEFOSPH-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCCCCCN[C@@H](CNC)CC(C)C 2164499459 BTWSEQUDLTWHIX-GOSISDBHSA-N 284.532 4.741 30 10 CJEE CN(C[C@H]1[C@H]2CCCCC[C@H]21)CC1(CS)CCCCC1 2167279019 VNIAABVFVGFZOL-BJWYYQGGSA-N 295.536 4.625 30 10 CJEE CCCCCCC[C@H](C[C@]1(C)CCCCC1(F)F)NN 2167959844 GQEZTCJKNJWMBM-CABCVRRESA-N 290.442 4.785 30 10 CJEE C=CC1(C[C@@H]2C[C@H](CC)CC[C@@H]2CNC2CC2)CCC1 2168029103 SOEVJYAQGSXJQG-ZACQAIPSSA-N 275.480 4.927 30 10 CJEE CCCc1nc(C[C@]2(C=O)CCCC(C)(C)CC2)cs1 2169854921 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CCCCCC1CC(N[C@H](C)c2ccc(C#N)cc2)C1 2179960220 ORPIUJOFXYJYCE-MXWWQKGMSA-N 270.420 4.568 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C2CC3(C2)CC3(F)F)CC1 2181671055 UDVWLXUQLIHTCE-MFOWVQHXSA-N 282.374 4.764 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@@]1(O)CCCC2(CCCCC2)C1 2184371522 IQFUAYRPBNWGTG-QZTJIDSGSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2184457229 ATQREQXSPPDREL-ABAIWWIYSA-N 292.785 4.898 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)C(F)(F)C(C)C 2185252594 BYIMMQGAXKLXMN-MRXNPFEDSA-N 285.422 4.620 30 10 CJEE CCCc1nnc(CC2(C#N)CCC(CCC)CC2)s1 2186517168 SCAFNRJHAHZAJM-UHFFFAOYSA-N 291.464 4.533 30 10 CJEE CC1(C)OCCC[C@]1(C#N)CCC=Cc1ccccc1 2187006273 MXBDRTGAQGJHHF-SFHVURJKSA-N 269.388 4.579 30 10 CJEE CCc1ccc(C#N)c(N[C@H]2CCCC(F)(F)CC2)c1 2188842853 NMJTZTSQRPEVBH-AWEZNQCLSA-N 278.346 4.501 30 10 CJEE CCc1ccc(C#N)c(N[C@H](C)c2cc(C)oc2C)c1 2188844914 MRIURAPFXZVDRL-GFCCVEGCSA-N 268.360 4.504 30 10 CJEE CCCCCCCC[C@@H](O)c1nc(C)nc2sccc12 2189149431 XXDQJLMCLPGFNQ-CQSZACIVSA-N 292.448 4.784 30 10 CJEE C=CC1(CNc2cccc(Cl)c2[N+](=O)[O-])CCCCC1 2189506634 PZEZQJTYSQLUSQ-UHFFFAOYSA-N 294.782 4.797 30 10 CJEE C=CC1(CNCc2csc(C(C)(C)C)n2)CCCCC1 2189519389 WJTLMAWEOCRZDD-UHFFFAOYSA-N 292.492 4.667 30 10 CJEE CCC1(C)CCC(N(C)C[C@@](C=O)(CC)C(C)C)CC1 2190472910 WEIIBBZPKYWRMD-DAWZGUTISA-N 281.484 4.528 30 10 CJEE N#CC1(CN2CCC[C@@H]2C2CCCCCC2)CCCC1 2192031224 HMVWXDIGERSZQB-QGZVFWFLSA-N 274.452 4.505 30 10 CJEE CCCCCCCN(C)CC[C@@H](O)c1ccc(Cl)cc1 2196724241 AIKGZCQADAPQSY-QGZVFWFLSA-N 297.870 4.666 30 10 CJEE CCCCCCCN(C)c1ccccc1CNCCC 2196729208 OFMISUPWXQEGEE-UHFFFAOYSA-N 276.468 4.593 30 10 CJEE C#CC[C@H](CN[C@@H](C)c1ccc(C(C)C)cc1)C1CC1 2196816665 TWPLPLMALPRENL-HNAYVOBHSA-N 269.432 4.510 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1ccccc1CC(C)C 2196838236 XLHNXNDESIXRMW-VQIMIIECSA-N 271.448 4.585 30 10 CJEE C#CC[C@@H](C[C@H](N)C1CC(C)(C)CC(C)(C)C1)C1CC1 2196854423 NTZYPFPTFYQCSL-RDJZCZTQSA-N 275.480 4.606 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1NC[C@@H]2C[C@@H]21 2198998938 YBADEYZXXWTDGL-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1C[C@@H]1C1CCCCCC1 2200186834 WSXRKQYANBGSFE-SJLPKXTDSA-N 268.404 4.638 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1cc(C)cc(F)c1 2203785733 QVDQHKBFDIOYIY-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@]1(C)CCCC(F)(F)C1 2203786987 IIRLTOOWSFRRCR-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](N)[C@@H]1CCCC[C@H]1C(F)(F)F 2203807768 PWELBZDPJGMJFO-KFWWJZLASA-N 289.385 4.656 30 10 CJEE CCCCCC#CC[C@H](C[C@@H]1CCC12CCC2)NCC 2203810418 NWLOSGUJZRXJRO-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCOC1(C2CCNCC2)CCC1 2205151971 YTHWRUFYSIYTIH-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE C=C(COCCC)C(=O)c1ccc(-c2ccccc2)s1 2206107902 AIAVZWVUWWFSDW-UHFFFAOYSA-N 286.396 4.581 30 10 CJEE C#CCCCCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 2206333662 GPPCHAPAHDXTNI-INIZCTEOSA-N 271.448 4.828 30 10 CJEE C=CCCCCCC[C@H](NCCC)c1c(C)n[nH]c1C 2206890226 FTHDMPDEAAJARD-INIZCTEOSA-N 277.456 4.594 30 10 CJEE C=CCCCCCC[C@H](NN)[C@]1(C)CC[C@H](C)C1(C)C 2206898501 HRRGQCMZZPEZMT-BQFCYCMXSA-N 280.500 4.807 30 10 CJEE CCCC[C@H](C)CCC(=O)[C@@H](C#N)c1ccc(F)cc1 2207000198 VSAVXHDJMKLYFS-BBRMVZONSA-N 275.367 4.608 30 10 CJEE C=CCCCCCCCCC(=O)[C@](O)(C(C)C)C(F)F 2207374119 APJJFMZYGUWBTG-MRXNPFEDSA-N 290.394 4.515 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CCO[C@H]1CC 2207402812 FEBPECKSGBMHNS-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@@]12CC2(F)F 2207406021 ZJNGIUOYIVGEMI-JKSUJKDBSA-N 285.422 4.928 30 10 CJEE C=CCCCCCCCCCO[C@H]1CC[C@@H]1CC(=O)O 2207408135 HBDGEUQRBIBPHI-CVEARBPZSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@](C)(O)CC 2207408784 KRYRUOOGEAQQFA-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCCOCC[C@H]1CCCCN1 2207413249 ZASWEKPELPFUIS-GOSISDBHSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1cccc(CC)n1 2207416793 YTVNYINIWJDVBL-GOSISDBHSA-N 275.436 4.984 30 10 CJEE C=CCCCCCCCCCC(=O)c1ccnc(C)n1 2207429802 NDVMYBCSDQFQLW-UHFFFAOYSA-N 274.408 4.665 30 10 CJEE C=CCCCCCCCCC[C@@H](NCC)[C@@H]1CCOC1 2207431165 BYMVJMLVGCIZDP-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](NC)C1(OC(C)C)CC1 2207437933 PYNUZNFQPLZTST-QGZVFWFLSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCCC[C@@H](NC)C12CCC(CC1)O2 2207442572 SGOLMKBUSFDHDA-LXPRWKDFSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCC[C@]1(CNC)COC(C)(C)C1 2207442623 SQJDEDZSCIMJLN-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](CN)N1CCC(CC)(CC)C1 2207444902 NIBWXQYQQSEJMO-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](CN)N(C)CC1(CCC)CC1 2207454641 WYFGZBSOBBPWCT-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC[C@H]1CC1(C)C)NC 2207470839 UVYHTQHJXDZPOR-BBWFWOEESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@](C)(O)c1sc(C)cc1C 2213635626 KCJQVHOWBPJBOK-HNNXBMFYSA-N 254.439 4.933 30 10 CJEE CCCCC[C@@H](C)OCC1(CS)CCCCC1 2215143112 MQQQBLAWCOQQIB-CQSZACIVSA-N 258.471 4.852 30 10 CJEE C=CCCC[C@H](C)NCc1sc(C)c(C)c1C 2215538818 RPFNOPJXNJQVLL-NSHDSACASA-N 251.439 4.508 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cc(Cl)cc(Cl)c1 2216163531 HOCRXWOZFUMCJE-QWRGUYRKSA-N 272.219 4.999 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1C[C@H](F)C1)NC 2220079101 CDAMVAAJIILUIW-BZUAXINKSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCS[C@H](C)C1 2220081144 CHNCJGXZIUNTDP-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@@H]1CC(C)C 2220081674 IGCHVVNVZMEAPW-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2CC[C@@H]21 2223854468 OEZHYWHVSRPANC-LUKYLMHMSA-N 251.458 4.904 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225283520 FEPFBCKNWMUMBN-AIANPOQGSA-N 260.421 4.908 30 10 CJEE CCCC#C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2225435024 XSFUEPCHAQJDQU-CQSZACIVSA-N 289.831 4.872 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2227274971 WJAZJZRNBMRLLN-APIJFGDWSA-N 272.379 4.555 30 10 CJEE C#CCCCCC[C@H](NCC)[C@]1(C)CC=C(C)CC1 2229044520 QLNDXQZTCVILLD-ZWKOTPCHSA-N 261.453 4.685 30 10 CJEE CCCCCCCCCOC[C@@H]1CCC[C@@H](NC)C1 2230985576 YMGJUMUITMSIRS-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCOc1ncc(Cl)cc1N 2231027209 UZNQEKYEUXESKS-UHFFFAOYSA-N 284.831 4.837 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@@H](C)CCC 2231922445 AZYXJQQCARSJSS-BBWFWOEESA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@@H](CC1CC(OC(C)(C)C)C1)NC 2232971343 MWJUPAAYINWIBH-CGZBRXJRSA-N 283.500 4.919 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2233639349 MKAVTNSHWSIRIW-BQFCYCMXSA-N 275.480 4.621 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652000 FCINIRBEOUGKOC-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(Cl)c(F)cc1F 2233796662 BTJZVAXRNFRJTN-OAHLLOKOSA-N 299.792 4.708 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(C(C)(C)C)cc1 2234695050 NKOTWLLFSOOXSJ-QAPCUYQASA-N 271.448 4.683 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1(O)CCCCC1 2235521957 OMDMGYYVVXYVJR-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](O)CCCCCC 2235536238 UBTSTPWWZOHZMI-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1CCC(CC)CC1 2235537785 DZUGXKDIQIXLSU-DAWZGUTISA-N 280.500 4.951 30 10 CJEE CC1(CC2(C#N)Cc3ccccc3C2)CC2(CCC2)C1 2236593696 BKGJAYBEAIEALD-UHFFFAOYSA-N 265.400 4.656 30 10 CJEE CCCCCCCCCCCCOC/C=C/C(=O)OC 2239503388 WCIWIXRMDRGDJH-BUHFOSPRSA-N 284.440 4.653 30 10 CJEE C=CCC[C@@H](C)Oc1cccc(C)c1CN[C@H](C)CC 2240233027 RTABJDGIJVTMMV-HZPDHXFCSA-N 275.436 4.617 30 10 CJEE C=C([C@H](NC)[C@@](C)(O)CCCCCCCC)[Si](C)(C)C 2240638736 XMDVOVDZDWXNMF-IRXDYDNUSA-N 299.575 4.510 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1COC[C@H]1CC1CC1 2240643372 XCRJTDPNNJIPOF-CGTJXYLNSA-N 281.484 4.530 30 10 CJEE C=C1CCC(CN(C)Cc2cccc3ccoc23)CC1 2241120153 YYDLCMPTEXVPSS-UHFFFAOYSA-N 269.388 4.611 30 10 CJEE CCCC[C@@H](CC)CSCC#C[Si](C)(C)C 2246095838 IKKQNDLZNQBKRZ-CQSZACIVSA-N 256.531 4.817 30 10 CJEE CCc1cc(Cl)ccc1C(=O)C1=CCCCCC1 2256531655 KEQUDBCWYKCZCR-UHFFFAOYSA-N 262.780 4.976 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(Cl)nc(Cl)c1 2258721174 MXWVEXVHMQEKDJ-QMTHXVAHSA-N 283.202 4.651 30 10 CJEE C=CCCCSCc1cc2sc(C(=O)O)cc2s1 2259049816 VGPDCYQDGVYLRN-UHFFFAOYSA-N 298.454 4.860 30 10 CJEE C=C(C)CCCC[C@@H](CC[C@@H](C)CCCC)NN 2259168221 GYFCHGAGMXPQTK-HOTGVXAUSA-N 254.462 4.561 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(C(F)F)cs1 2268747589 JRGCNXDWSBKOSF-LBPRGKRZSA-N 283.387 4.681 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1C[C@@]1(C)COC 2269217584 OFTXGKLFHUJWPK-IKGGRYGDSA-N 270.457 4.551 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(OCCC)c1 2271764378 NKEPJLASIKVLPP-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE O=C[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCC12CCC2 2273421452 KHEGMSFSTWRRIF-SOLBZPMBSA-N 260.421 4.886 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1cscc1C 2274120487 JESVCEIMFXUALZ-QGZVFWFLSA-N 275.461 4.681 30 10 CJEE C#Cc1cccc(N[C@H]2CC(C)(C)CCC2(C)C)c1 2274495608 YNWXYUKGOULUKY-INIZCTEOSA-N 255.405 4.685 30 10 CJEE C=CC[C@H](C)[C@@](C)(CCCCCCC)OCCCN 2276662025 LRRJTMALVRVJLG-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1cc(C)cs1 2277100480 QWKCKXMLTDTCIW-INIZCTEOSA-N 283.481 4.608 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2277881172 LTGCIVUTGBVMMG-LLVKDONJSA-N 289.366 4.611 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1CC[C@@H]1OC 2278153814 DJEUZAHVBLVEFX-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@H]1CCCOC1 2278171020 ICEFXOQDDBTYFO-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2ncsc2c1 2278450346 SLFMMGOCEDJAGU-CQSZACIVSA-N 276.449 4.917 30 10 CJEE CC[C@@H](C(F)(F)F)C1(C=O)CC(C)(C)CC(C)(C)C1 2278493750 DFDWUJYTZKCDMY-LLVKDONJSA-N 278.358 4.997 30 10 CJEE CCCC[C@](C#N)(CC)c1ccc2cccc(C)c2n1 2279723011 MPGRUTJNTOZWOT-SFHVURJKSA-N 266.388 4.905 30 10 CJEE CC1CC(CS)(CN2CCC[C@H](C3CCCCC3)C2)C1 2280052899 USXOMMLQLJGVNI-NXYGQSRBSA-N 295.536 4.625 30 10 CJEE CCc1ccsc1[C@@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2283087201 GFZBQYHISIWIHX-WBVHZDCISA-N 291.460 4.844 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(O)[C@H]1CC12CCC2 2283771640 KNPSSITXUXLFBX-WBVHZDCISA-N 280.452 4.637 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(Cl)cc1F 2284110221 CCIZEYUUEOWJOB-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE CC(C)(C)C#CC=CCNc1ccc(C(F)(F)F)cc1 2284182354 CJWYISKBONJNSF-UHFFFAOYSA-N 281.321 4.723 30 10 CJEE C=CCCCCCCCSc1ncc(C(=O)O)cc1C 2287079937 OTRNVFWIOLOVMH-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@](O)(CC)C[C@@H](C)CC 2287377745 IPAGIIPOFKXQAY-BZSNNMDCSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](CCC1CC(OC)C1)NCCC 2287413010 HHGFNWPIVJMMEN-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCc2ccccc21 2287415359 UWMMQZVCYZQTDA-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc2c(c1)COC2 2287465132 HLPRJDZCYBLKSL-GOSISDBHSA-N 273.420 4.504 30 10 CJEE C=C[C@H](C)CCN(C)CCC12CC3CC(CC(C3)C1)C2 2288889283 WIMDHYUFSFDHRC-OPRRPXDXSA-N 275.480 4.737 30 10 CJEE N#C[C@]1(C[C@@]23CCCC[C@H]2CC3)CCc2ccccc21 2289089635 UCPSEUIBLWTDIF-YTQUADARSA-N 265.400 4.755 30 10 CJEE C=C(C)CCCC[C@](C)(CCC=C(C)C)OCC(=O)O 2292707708 LXVCEGZMTIJXKC-QGZVFWFLSA-N 282.424 4.729 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCC[C@@H](C(C)C)C1 2292793022 YKIQZJALYRFPPS-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@]1(OCCCN)CC[C@H]1C 2292794798 YLYRDSIORZMJDO-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@H](C)[C@@H]1C 2292892849 MHTRXSXOBYKJEX-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@](CC)(OCCN)c1cccc(Cl)c1 2293363591 KPADEUNAGVPVRZ-KRWDZBQOSA-N 295.854 4.523 30 10 CJEE Cc1ccc(C=CC(=O)c2cccc(Cl)c2)s1 2293385582 IAXJYZYJCVWBOV-UHFFFAOYSA-N 262.761 4.606 30 10 CJEE C#CCCCCC[C@@](CC)(CCC(C)C)OCCCN 2293432836 MJUXOHHYMZCEFB-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)C[C@H](C)[C@@H]1C 2293526454 AJPGQJMLCVKNBL-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@@]1(C)C[C@@H]1C 2293995908 ZREZYKZXWCXVRV-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](CC)(CCCCC)OCCN 2294031175 YDEQMZTWQLWVMK-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C#CC[C@@H](C)C[C@H](CCCCCCCC)OCCCN 2294050589 KZMJYBTWEOOAJD-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(OCCCN)c1ccc(Cl)cc1 2294230599 KGRPQRDSAIIFNE-RHSMWYFYSA-N 295.854 4.523 30 10 CJEE C=C([C@H](OCCCN)[C@@H]1CCCC[C@@H]1CC)C(C)(C)C 2294255182 IZNVXCYYMNHUES-BBWFWOEESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1CC)OCCCN 2294539942 ZCKKKAHWSHSJBZ-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCC(CCC)[C@@H](C#Cc1ccccc1Cl)NCC 2295221828 NCJHSYSCXJAELG-GOSISDBHSA-N 291.866 4.886 30 10 CJEE C=C(C)CC[C@@H](NC)[C@@](C)(O)CCCCCCCCC 2295684464 MKMMKGQJNGAKIF-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCS[C@@H]1CCC(C)(C)[C@](C#N)(NCC)C1 2295760501 CNYQOXJFOJNWOC-WBVHZDCISA-N 296.524 4.750 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)s1 2298942480 LQAGIJGHXXRWRY-LLVKDONJSA-N 269.479 4.693 30 10 CJEE C=CC[C@H](C)Sc1c(C)sc(CNCC)c1C 2298946177 FHWRNAVHVWOESX-JTQLQIEISA-N 269.479 4.531 30 10 CJEE CCC1CCC(C#N)(C[C@H]2C[C@@H](SC)C2)CC1 2299365517 AYTJWZLPZUFAMX-HFDVOGEKSA-N 251.439 4.628 30 10 CJEE C[C@@H]1CC[C@@H]([C@H](C#N)c2ccc(Cl)c(F)c2)C1 2300097180 KZFKCBZGCQUBIF-FOGDFJRCSA-N 251.732 4.522 30 10 CJEE C=CCCCN(C)Cc1ccc(Cl)c(Cl)c1C 2301021662 OOTSTNCAWUSKCS-UHFFFAOYSA-N 272.219 4.700 30 10 CJEE CC1(C)CC(CS)(CSCCC2CC(F)C2)C1 2304518151 ZEZJGUJEGDNLNC-UHFFFAOYSA-N 276.486 4.594 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1CF)NCCC 2310952327 BHTPCRBHEIQFIO-JYJNAYRXSA-N 257.437 4.711 30 10 CJEE C#CCCCCCOCC=C(C)CCCC(C)C 2316564235 KCHMOHNAJREJTF-UHFFFAOYSA-N 250.426 4.969 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320214760 CHHZDUJPWMDQLY-KLHDSHLOSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)ccc1Cl 2321111810 BASUQKPKQBYZJB-HZPDHXFCSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)c(Cl)cc1C 2321126689 CHPIPIOEBWCYDW-MEDUHNTESA-N 265.828 4.820 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(C(C)C)C1)NC 2321137804 NCNOOHJUHUNIKF-SJJHQCBESA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(F)c(C)cc1Cl 2321175462 WECQANSXJWUULN-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CCCCC1(F)F 2321176631 FZGGMVCLJAMFKF-OCCSQVGLSA-N 258.352 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H](C)C1CCCCC1 2321223305 FVQCYOZKZFIJMU-OIISXLGYSA-N 252.442 4.946 30 10 CJEE CC#CCCCC[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2332426104 BDYYBFQYATVBBQ-XSLAGTTESA-N 262.437 4.538 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(C)o1)[C@H](N)CC 2335101447 UWLZULLOKXMVRX-ZBFHGGJFSA-N 279.449 4.620 30 10 CJEE O=C[C@@]1(C(CC2CC2)CC2CC2)CCCCC12CC2 2335221148 HGHGALBMKVZSJQ-GOSISDBHSA-N 260.421 4.742 30 10 CJEE CCCCCC#CCC(=O)c1c(F)ccc(C)c1Cl 2335573239 ZPADFZCIHKVFLI-UHFFFAOYSA-N 280.770 4.944 30 10 CJEE CCCCCC1CCC([C@H](O)C#CC2CCC2)CC1 2337508042 WHLRZPGZMBECFJ-DAWZGUTISA-N 262.437 4.538 30 10 CJEE N#CC1(COCCCCCC(F)(F)F)CCCCC1 2337536791 IJQKGBDEAAKVND-UHFFFAOYSA-N 277.330 4.600 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(C2CC2)cc1 2338738816 PNHDYLOOTRZUHW-GOSISDBHSA-N 255.405 4.593 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)CC(C)(C)Cc1ccccc1 2339401906 IAGAUFAIGFXQQJ-YJBOKZPZSA-N 258.405 4.651 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cccc(Cl)c1Cl 2339570257 VMTLUZYOTREGAP-BXUZGUMPSA-N 296.241 4.694 30 10 CJEE CCCC[C@@](C#N)(CC)c1ccc(C2CC2)c(C)n1 2340650090 CDJFMVYPFXINHA-QGZVFWFLSA-N 256.393 4.629 30 10 CJEE CCC1=CC[C@@H](CCCCC(F)(F)C(F)(F)F)C1=O 2342305415 CZUUXUXOYFOXAK-SNVBAGLBSA-N 284.268 4.670 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC[C@@H]1C(C)(C)C 2343368073 QXUYUDPIOIFGFF-NCOADZHNSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccccc1OC(C)C 2344397048 QKVHBIPPWXZJMW-KRWDZBQOSA-N 260.377 4.649 30 10 CJEE Cc1sccc1Oc1ccc(C(F)(F)F)c(C#N)c1 2352242049 ZNPCGZIYIPWVHA-UHFFFAOYSA-N 283.274 4.739 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(F)ncc1C 2352410242 FWDAVFKXHWWAEW-HNNXBMFYSA-N 266.404 4.540 30 10 CJEE CCC(=CC(=O)c1ccccc1OC(C)(C)C)CC 2353113424 VQIJSMXTFXWBCV-UHFFFAOYSA-N 260.377 4.793 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H](C)c1cccc(Cl)c1 2353834537 FXBVJYKTMQGPGC-ZIAGYGMSSA-N 299.911 4.925 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NCCC 2355020026 MLVAUIYOYBAXJB-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2357278292 UJUFJSUXSBIZOJ-KBXBGSNASA-N 285.456 4.811 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(C)C 2358323317 JWYDOLYMPBGOOW-RCCFBDPRSA-N 280.500 4.807 30 10 CJEE C=CCC(CC=C)Sc1cnccc1CNC(C)(C)C 2360372435 SXDAWBALQUDZHD-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1 37154053 RJTCVDIZKPCGRV-RISCZKNCSA-N 265.809 4.905 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 37256608 VHRMVJFLKNGKIV-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)c(F)c1 43390728 NPTHIBFETRJVQQ-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C[C@@H](C[C@H](C#N)Nc1cccc(Cl)c1)c1ccccc1 43535244 HNONZTQSXVJDMJ-SUMWQHHRSA-N 284.790 4.838 30 10 CJEE C=C[C@H](C)Oc1c([C@@H](C)NC2CC2)ccc2ccccc12 52141584 IZHPKZNMDDRGAO-UONOGXRCSA-N 281.399 4.606 30 10 CJEE Cc1cc(OCC[C@@H](C#N)c2ccccc2)ccc1Cl 57684682 CVPVFGBVGASHAF-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1cc(C)c(C[C@@H](C#N)c2ccc(F)cc2)c(C)c1 57760634 WOYOYGXPUKOCBX-INIZCTEOSA-N 267.347 4.601 30 10 CJEE CCCCCCCOC[C@H](N)c1ccc(CC(C)C)cc1 59083359 QWTRCRDZWOSFNP-IBGZPJMESA-N 291.479 4.872 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(F)c(F)c(F)c1 71276913 FRCSFBZPUXJECI-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CSc1cccc(Nc2nc3ccccc3cc2C#N)c1 71389691 ADIDINIDODDUMO-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE N#C[C@H](CNc1ccc2ccccc2c1)c1ccccc1 80782435 WSFLSFWUAAWOPP-GOSISDBHSA-N 272.351 4.559 30 10 CJEE Cc1cc(C)c2c(CS)cc(C(C)(C)C)nc2c1 82466299 VQYQGOMNOHCDGZ-UHFFFAOYSA-N 259.418 4.579 30 10 CJEE COc1ccc(C(=O)/C=C/c2sccc2C)cc1Cl 83194371 QPQBYRCVSNGROW-GQCTYLIASA-N 292.787 4.615 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1nccs1 86509899 DBIKIDFUBIPSNC-LLVKDONJSA-N 276.430 4.594 30 10 CJEE CC1CCC(C#N)(C2(O)CCC(C(C)(C)C)CC2)CC1 91876038 HXDFOYOVTFDMTM-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE C=C(CC)CC1(C(=O)O)CCC(CCCC)CC1 93114988 ISNGNONTJYVUQJ-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE CC(C)C[C@H](C)N(C)CC1(CS)CCCCCC1 94581168 HVOPYDCTKAVZPZ-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CCCC(CS)(CCC)COc1cccc(F)c1C#N 94584787 MNIBWYGVJRWVOW-UHFFFAOYSA-N 295.423 4.593 30 10 CJEE CN(CCCCCCCCCS)c1cccc(C#N)c1 97799269 CGIASTIVTMEEIL-UHFFFAOYSA-N 290.476 4.655 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1NC 110081691 MGROHZFJMRINCC-IKGGRYGDSA-N 283.500 4.776 30 10 CJEE CCCCCCC[C@H](N)C12CC3CC(CC(C3)C1)C2 112897982 BZXXJNUWCJHAHJ-LESVLKBLSA-N 263.469 4.891 30 10 CJEE CCCCCCCn1ccc2c(C[C@@H](C)N)cccc21 112985371 LYPJAXUMGCTLCL-OAHLLOKOSA-N 272.436 4.501 30 10 CJEE CCCCCCCOC1(CN)CCC(CCC)CC1 112985903 PTNHKTKRGZXHDV-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCO[C@@](C)(CCCCCC)C(=O)O 114390957 CYGPYHQTPYDAGP-INIZCTEOSA-N 272.429 4.787 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC(F)F)cc1 115831531 MCAMOWHTIMNRQX-CQSZACIVSA-N 272.335 4.682 30 10 CJEE CCCCCCCCCc1nnc(CNC(C)(C)C)s1 116083831 VFZHRQZKTBBRAM-UHFFFAOYSA-N 297.512 4.719 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](CC)OCC 125484761 LYVJJDHHLJPIMX-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCC(=O)CCC[C@H](C)N 125944951 QTQTZZGSGNLSPV-HNNXBMFYSA-N 255.446 4.604 30 10 CJEE Cc1cc(Oc2cc3ccccc3cc2O)ccc1C#N 126517839 PWTFFBBPANOVDD-UHFFFAOYSA-N 275.307 4.518 30 10 CJEE CCCCCCCNCc1sccc1Br 127106669 BEMSHELOBYNDIT-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE CC1(C)CC(N[C@H]2CCCCC[C@@H]2C#N)CC(C)(C)C1 130885086 RCTNQTDBCDJLDN-ZBFHGGJFSA-N 276.468 4.653 30 10 CJEE N#CC[C@H](C(=O)c1ccc(C(F)F)cc1)c1ccccc1 131552740 UNEYUFWJZYYNEF-HNNXBMFYSA-N 285.293 4.504 30 10 CJEE Cc1cc(N[C@H](C)c2ccc(Cl)cc2)ccc1C#N 132642046 KVCDPVUGUQTSEF-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCC(=O)[C@@H]1CSc2ccccc21 135413901 SIEIIHHCLRIVCZ-CQSZACIVSA-N 262.418 4.806 30 10 CJEE COc1ccc(C#N)c(Nc2c(Cl)cccc2Cl)c1 150045845 DVLNTPFBTYCLMV-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](CC)OC 158208565 XSBJOYDGNSBZOT-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCC(=O)[C@]1(OC)CCC[C@H](C)C1 161008362 LAFZMFLZODUEIN-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE CCCCCCCN1CCCc2cc([C@H](C)NC)ccc21 162235814 GETCWTLEUGVNGC-INIZCTEOSA-N 288.479 4.690 30 10 CJEE N#C[C@@H](Sc1ccc(F)cc1)C1CCCCCC1 167876137 WPJONNNHTFAUMC-OAHLLOKOSA-N 263.381 4.780 30 10 CJEE CC(C)c1ccc([C@H](C)Nc2ccc(C#N)cc2F)cc1 168272827 JEHPXCIBLPXIJK-ZDUSSCGKSA-N 282.362 4.994 30 10 CJEE N#Cc1ccc(N[C@H]2CCCCc3ccccc32)c(F)c1 168278050 BOKIHBZVEQDZRH-KRWDZBQOSA-N 280.346 4.577 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)CC1 168283251 PGGHMTCCPQLCQD-DZGCQCFKSA-N 274.383 4.858 30 10 CJEE N#Cc1ccc2[nH]c([C@@H]3CC[C@H]4CCCC[C@@H]4C3)nc2c1 168449979 XPDPPWPDGNIKPJ-RBSFLKMASA-N 279.387 4.508 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2)ccc1C#N 218480224 RACDVGWKEJUBOP-YOEHRIQHSA-N 291.398 4.611 30 10 CJEE C=C(C)C[C@H](NCCC)C1(CC(C)C)CCCC1 229735199 ZTUYJKPLHHSBTJ-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC[C@@H](N)COCCC 229795352 FFYWLLKXUFKLQK-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CC(C)C[C@@H]1CCC[C@](C#N)(Nc2ccccc2)C1 230779355 XYTQPWMEPUNDKV-RDJZCZTQSA-N 256.393 4.597 30 10 CJEE C=C(CNc1ccccc1SC)c1ccccc1 232273954 PRSRIGUELFTYKR-UHFFFAOYSA-N 255.386 4.534 30 10 CJEE CCCCCCCCCCOc1ccc(CO)cc1F 232438552 XYKXATFTYJKIDN-UHFFFAOYSA-N 282.399 4.838 30 10 CJEE CCCCCCCOCc1ccc(Cl)nc1Cl 232937456 CGAPENKFMHWEJO-UHFFFAOYSA-N 276.207 4.875 30 10 CJEE CCCCCCCCC[C@H](CO)Nc1ccc(C)cc1 232983737 OPZRWIIYTQFDKF-GOSISDBHSA-N 277.452 4.909 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(OC)cc1F 233609031 KKGXIQKHMWGGOF-QGZVFWFLSA-N 279.399 4.621 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1nccc(C#N)c1Cl 233977636 SJSAUBDCCBVFBA-LLVKDONJSA-N 286.762 4.912 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252435182 INHRHABVIPNKLC-BSDSXHPESA-N 290.495 4.996 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@H]2C)C1 252436154 NLZPKHTZVAGBJO-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1C[C@H]2CC[C@H]1C2 253042409 METQABJBXZXELA-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 300107919 KVXFRXPSVYDYFJ-IPYPFGDCSA-N 288.522 4.932 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)cc(Br)c1 308307057 PZVKNNLDNYXUGC-SECBINFHSA-N 288.616 4.869 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1cccc(Cl)c1F 310120705 UPFJYKGWTXEYCQ-PWSUYJOCSA-N 253.748 4.768 30 10 CJEE CCCC(CCC)[C@@H](CC#CC(C)(C)C)NCC 310622986 PDCOSZLWEAARAB-MRXNPFEDSA-N 251.458 4.621 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCCC1(C)C 311320818 AFPQBVRKKHXBLX-CVEARBPZSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@H]1N([Si](C)(C)C)C(=O)[C@@]1(C)CC 311457338 USYMHINTVQNCNI-HOCLYGCPSA-N 283.532 4.809 30 10 CJEE CC(C)(C)C#CC[C@H]1C[C@H](c2ccccc2)CCC1=O 312210751 PCKYREGDRNJCGX-SJORKVTESA-N 268.400 4.579 30 10 CJEE CCCCCCCCCCCC(=O)c1cn(C)nc1C 312421145 PHDSIZOMXMNLRA-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE CC1(C)CCC(C=O)(C/C=C\c2ccccc2)CC1 317876520 MEEZAEDIAUHZQF-TWGQIWQCSA-N 256.389 4.875 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)C1CCC1 325212220 AANFRHZEIBLEFE-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C=C(C)CCC(=O)c1ccccc1OCc1ccccc1 381940592 WPBVELKROVXINI-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)s1 384818147 DPRYCKNUIYQMEV-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CCCCCCCCCCNCCCCCC#N 385224040 MBHKBAOCHKMIJH-UHFFFAOYSA-N 252.446 4.801 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)ccc1C 387462568 QEEZYWNHBHRGKV-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE C=C([C@H](CSC1CCCCC1)NCCC)C(F)(F)F 388652336 ZOZYPSPTFLBNDP-ZDUSSCGKSA-N 295.414 4.539 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H](C)C2CCC2)CC1 398644927 YZMHVPFYTHKIIC-UQPPLGOBSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C[C@H](C)C(C)(C)C 399418983 YVFDFPZMQSKSNS-FUHWJXTLSA-N 284.532 4.678 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1csc(C)c1C 399828002 BMBDSKAFMGOMIJ-MRXNPFEDSA-N 277.477 4.845 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccc(C)cn1 400558264 QQVYYVUHMDLSQQ-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1c(Cl)cccc1Cl 400844944 KEPMYAKOKGUQST-GHMZBOCLSA-N 272.219 4.999 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CC=CCC1)NN 402117472 BLFLVLJSIDTGAW-IRXDYDNUSA-N 266.473 4.705 30 10 CJEE C=CCCC[C@@H](NCC)c1cscc1Br 404851580 SOXVOLXWDLXOHQ-GFCCVEGCSA-N 288.254 4.518 30 10 CJEE C=C(C)CCSCc1ncc(Cl)cc1Cl 507109765 GEILCCIOMQDZDE-UHFFFAOYSA-N 262.205 4.588 30 10 CJEE 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CCCCCCCCC(=O)c1snc(OC)c1Cl 708370913 CWMNDSIHFZFVGH-UHFFFAOYSA-N 289.828 4.738 30 10 CJEE C=C(CC)C[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 712610581 SKTUJGCOCVYCEG-GFCCVEGCSA-N 291.744 4.976 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CC(C)(C)CC[C@@H]1C 713084548 UEQDPXKROCLZMR-MEDUHNTESA-N 274.383 4.633 30 10 CJEE CC(C)C(C)(C)CSC[C@H](C#N)C1CCCC1 718830910 GHAQXXLXQIHYIH-AWEZNQCLSA-N 253.455 4.732 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(F)ccc2Cl)CC1 724548460 BXASEZALTWFQEA-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H](CSC(C)(C)C)NCC)CC1 724549430 GIQFXPAUSIUXDY-HNNXBMFYSA-N 269.498 4.633 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(F)c(C)c2)CC1 724568349 RORLIRHPDYRJMF-SFHVURJKSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H](OC)C(C)(C)C)CC1 724571819 VSTYGDUSUZWALN-IAGOWNOFSA-N 281.484 4.552 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(CC)o2)CC1 724606553 TZAGEPSZZPTSDY-INIZCTEOSA-N 261.409 4.629 30 10 CJEE C=C1CCC(CC(=O)c2ccc3cnccc3c2)CC1 724607294 GGPOHBMUICLOSV-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE CC/C(=N\OCc1cccc(C#N)c1)c1ccc(C)cc1C 821219691 QTMAGLZHAZUPEK-XUTLUUPISA-N 292.382 4.506 30 10 CJEE C=CCCC[C@@H](NCc1ncc(C)s1)c1ccccc1 880390452 RDMXGBUHLBCTRG-MRXNPFEDSA-N 286.444 4.639 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)C[C@@H](C)CC)c1ccccc1 1126433071 SBLWPEZKDMXHEC-JZXOWHBKSA-N 287.447 4.677 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCc1ccc(CC)cc1 1171920342 CZKFAHKTBLQDRR-RTBURBONSA-N 271.448 4.516 30 10 CJEE C=CCCC[C@H](C)NCc1ncc(-c2ccccc2)s1 1178304313 CASVOQHZBSOISN-AWEZNQCLSA-N 286.444 4.645 30 10 CJEE C=CC(C)(C)CCCNCc1ccccc1Br 1179515679 FCTRWQDWABEQHV-UHFFFAOYSA-N 296.252 4.531 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1181880095 MHPQSWQBWRTJHI-RDJZCZTQSA-N 277.839 4.607 30 10 CJEE C=C(CC)CN1CCCC[C@H]1CCCc1ccccc1 1192434419 CAZWZJREKNQNSK-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccsc1Cl 1204441685 QWHGIAQEXSQWKD-UHFFFAOYSA-N 277.820 4.590 30 10 CJEE C#C[C@H](N[C@H](C)CC1CCCC1)c1ccc(Cl)cc1F 1205755423 IGFIVMJLYBZLHS-PXAZEXFGSA-N 293.813 4.712 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(Cl)c(C)c2)CCCC1 1207046256 WOSOFJVLQYUJOT-UHFFFAOYSA-N 292.810 4.659 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1cnc(C2CC2)s1 1237790080 QEILDSYVORIBKG-UHFFFAOYSA-N 298.455 4.599 30 10 CJEE C=CCCN(Cc1c(Cl)cccc1Cl)C1CC1 1307747154 JTMYLHHKWBJNEI-UHFFFAOYSA-N 270.203 4.534 30 10 CJEE C=CCN(Cc1ccc(C(C)C)nc1CC)C(C)(C)C 1307939869 YYWLHCRLBMIAFW-UHFFFAOYSA-N 274.452 4.554 30 10 CJEE C=CCCC[C@@H](NCc1ccncc1C)c1ccccc1 1308041840 YNOCFHLSTSVNNE-LJQANCHMSA-N 280.415 4.577 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc2ccc(C)cc2c1 1439848400 RULWGBRKTMQXAV-UHFFFAOYSA-N 268.356 4.656 30 10 CJEE C=CC[C@@H](C(=O)N1CCC(C(C)(C)C)CC1)c1ccccc1 1447752691 MQQNYKGLKCCILV-GOSISDBHSA-N 299.458 4.631 30 10 CJEE C=CCCCN1CCC[C@@H]1[C@@H](CC)c1ccccc1 1473191745 CDUNCZYPDJNEBO-ZWKOTPCHSA-N 257.421 4.611 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCC[C@@H]1CC 1474532601 KCAGTJBWJGZBJM-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](CC)C2)c1 1477187881 XIWVLWULBIQNHU-GDBMZVCRSA-N 286.419 4.810 30 10 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C=CCC(CC=C)[C@@H](NCC)c1cc(F)ccc1C 2338740936 JVNVKMZFRUZQFC-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1c(C)oc(C)c1C 2338742277 UWIDPEKRLFLZPX-KRWDZBQOSA-N 261.409 4.624 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(C)c(C)cc1C 2338745528 XPPZNZJWCYTFAX-GOSISDBHSA-N 257.421 4.641 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc2sccc2c1 2338746574 HUHTZWUYEDXMCH-KRWDZBQOSA-N 271.429 4.930 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CC12CCCC2 2338747532 QRKOIXDAOIPOCN-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCC[C@H]1C(F)F)NCCC 2344341799 FGPLHIDHOQHGBH-YJNKXOJESA-N 273.411 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC12CCC(CC1)C2)NCC 2344344281 RTCDZXSHXQGATL-JDEYZFBPSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(CC2CC2)cc1 2344368390 DBOYMHYVCQWEBR-KSSFIOAISA-N 257.421 4.502 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@@H]1C1CCCC1)NCCC 2344375186 MGNADBPMLZCYQU-HPBDAGMYSA-N 263.469 4.783 30 10 CJEE CC(C)(C)[C@H]1CCCN(C[C@](C)(CS)C(C)(C)C)C1 2352089726 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4.524 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C#N)cc(F)c2C)cc1 37089254 SPFYLDFFNBCUGR-ZDUSSCGKSA-N 282.362 4.741 30 10 CJEE C[C@@](C#N)(CCc1ccccc1)Nc1cccc(Cl)c1 37937314 KAOVRKCALRSUGP-KRWDZBQOSA-N 284.790 4.667 30 10 CJEE CCCCC#CCCCCCCC(OCC)OCC 43502966 MLLXCWMOFAYROK-UHFFFAOYSA-N 268.441 4.920 30 10 CJEE N#Cc1sc(-c2cccc(F)c2)c(-c2ccccc2)c1N 44273946 JUBWMQFMLHARGG-UHFFFAOYSA-N 294.354 4.675 30 10 CJEE CCc1ccc([C@H](C#N)Nc2cccc(Cl)c2)s1 51719765 WEFIVNSDVXVAOG-ZDUSSCGKSA-N 276.792 4.641 30 10 CJEE N#CC[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccccc1 55015256 BDLQDVHLSVNBAJ-HNNXBMFYSA-N 290.288 4.772 30 10 CJEE CCc1ccccc1OCC[C@H](C#N)c1ccc(C)cc1 57684897 WHWRHDXQNLSGHR-GOSISDBHSA-N 279.383 4.634 30 10 CJEE C[C@@](C#N)(Cc1cccc2ccccc12)c1ccccc1 57739146 SMYPKQDKIDDCJN-FQEVSTJZSA-N 271.363 4.864 30 10 CJEE CCCCCCCCN[C@H](C)c1cccc(F)c1 59055589 IKYXLDJXXKATSM-CQSZACIVSA-N 251.389 4.837 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C(F)(F)F)c1 71276493 VMTWLKBNXNQSBF-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE C=CCC[C@@H](NCCC)C1(c2ccccc2)CCCC1 71277412 UBZJNLSZLBBRHH-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCn1cc(C(=O)CC#N)c2cc(Cl)ccc21 84871227 NZVYZURLPQBWLB-UHFFFAOYSA-N 288.778 4.581 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@@H]1CCCc2ccccc21 86114357 AAFJOWWJLMKNGT-HNNXBMFYSA-N 296.801 4.744 30 10 CJEE CC(C)n1c(C[C@H](C)C(C)(C)C)nc2cc(C#N)ccc21 86636424 XPVMFPRATMOHRC-ZDUSSCGKSA-N 283.419 4.714 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@H](C(C)C)CC1 86949200 XXNKBSSXUAGKKX-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE Cc1cc(Oc2ccc(F)cc2C#N)c(C(C)C)cc1N 87465600 HUCPHJQCAICJER-UHFFFAOYSA-N 284.334 4.504 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCCc3ccccc32)s1 87930150 LIUORRCTDKMGKD-SFHVURJKSA-N 281.424 4.651 30 10 CJEE CC[C@H](C)[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91878451 FRWHKWZYPZJBJY-DKVOJFQGSA-N 265.441 4.530 30 10 CJEE Cc1ccc(OCCCCCS)c(C(C)(C)C)c1 94583442 XRVNIHZOLCKVAJ-UHFFFAOYSA-N 266.450 4.771 30 10 CJEE Cc1ccc(C(C)C)cc1OCC1(CS)CCC1 94585496 NODFGSKKKUHIEB-UHFFFAOYSA-N 264.434 4.597 30 10 CJEE CC(C)CN(c1cccc(Cl)c1C#N)C1CCCC1 94848239 BZNOAWOZKDPWFE-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE C[C@H]1CC[C@H](C)N(CCCCCCCCCS)C1 97799482 UJGSSFGRGKCTDW-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE C#CC[C@H](C)c1c(OCCC)cc(C)c(Cl)c1C 107624699 XJERQDBNEBBPRB-NSHDSACASA-N 264.796 4.872 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ncccc1C 109732182 XIJQWJTVVANGML-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H](C)c1ccccc1F 110027019 LJANSTWCGOERRW-JKSUJKDBSA-N 294.458 4.506 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@]1(C#N)Nc1ccc(F)cc1 110028547 KUSYHZHPWSWBDI-IAOVAPTHSA-N 274.383 4.592 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)ccc2C)c1 110253502 RYXVNADXZPPJFJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C[C@H]1CCC[C@H](SCc2ccc(C#N)cc2F)C1 110354813 ZMCPLSCTQHNTDH-FZMZJTMJSA-N 263.381 4.509 30 10 CJEE CCCCCCCCn1ccc2c(CNC)cccc21 112933443 YYBBNUZLWAIKLL-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](C)OCC 113370645 VPHKITQCPCBBKM-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NCCC)C1(CC)CC 117339979 SJPADXWZODDXMV-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NCC)C(CC)(CC)N1CCCC1 118172204 GJHXHSDQLWDJGA-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](O)C1(N(C)C)CCC(C)CC1 118182267 PJJDNFYKJLCIGZ-LXPRWKDFSA-N 283.500 4.608 30 10 CJEE CCC(C)(C)c1ccc(Oc2ccc(N)c(C#N)c2)cc1 127710020 OQFMHTUMZNICRD-UHFFFAOYSA-N 280.371 4.620 30 10 CJEE CCCCCCCCCCCCn1ccsc1=O 129520077 UXLZTWPWOFFHEF-UHFFFAOYSA-N 269.454 4.831 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(Cl)ccc1Cl 130871074 NJSMUHZHIBBGQR-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CC(C)(C)OC1(C)C 133206692 PBYXKDGDEUZGBI-LSDHHAIUSA-N 269.473 4.658 30 10 CJEE C#CCCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 134000259 KARUEBKZIWOEMF-CYBMUJFWSA-N 298.257 4.708 30 10 CJEE CCCCCCCCNc1cc(OCCC)c(F)cc1N 159130059 HALQSWQOOFUVFQ-UHFFFAOYSA-N 296.430 4.969 30 10 CJEE CCCCCCCCCCC[C@H](O)[C@H](C)CCOC 159230798 ZKUDMCDOYLYCNP-SJORKVTESA-N 272.473 4.941 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@@H]1C 159710870 ZXLBUPIVSPJMFL-WBVHZDCISA-N 269.473 4.530 30 10 CJEE C=C(Cl)CN[C@H](C)c1ccc(-c2ccccc2)cc1 161004397 NTGUGZOATOCMQM-CQSZACIVSA-N 271.791 4.757 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(CC#N)cc2)c2ccccc21 163726306 IGAZENLMXHWRPO-LIRRHRJNSA-N 276.383 4.803 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164026130 QCJDWAYNXNZVOL-NHYWBVRUSA-N 296.336 4.958 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 184879504 WLLWXSOFHCAVGX-VIFPVBQESA-N 272.175 4.534 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1(C)CCC1 191479466 MGUVKBLGTLVZHC-UHFFFAOYSA-N 286.419 4.603 30 10 CJEE CC1(C)OB(/C=C/c2csc3ccccc23)OC1(C)C 200762761 CYVPUJPPFIPFJE-MDZDMXLPSA-N 286.205 4.546 30 10 CJEE C=CCCCC(=O)c1cccc2cc(C)c(C)cc12 207599317 JVJWTPNQRUYPAY-UHFFFAOYSA-N 252.357 4.996 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2cccs2)C(C)C)C1 218661966 JSHXFKZUUSGKET-VYDXJSESSA-N 290.476 4.677 30 10 CJEE CCCCCCC[C@@H](O)c1c(Cl)cccc1OC 228768917 VUTAAOIPAOWYGU-CYBMUJFWSA-N 270.800 4.743 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 251224108 NYJFOFHFYFBWHS-YESZJQIVSA-N 263.469 4.783 30 10 CJEE N#Cc1ccc(Cl)cc1N=Cc1ccc2ncccc2c1 254701524 DBDUYOHYBVKEAL-UHFFFAOYSA-N 291.741 4.510 30 10 CJEE Cc1cc(C2(CC#N)CC2)cc(C)c1OCc1ccccc1 260819193 WRQWVQFOUHKLFU-UHFFFAOYSA-N 291.394 4.828 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C#N)c(F)c1 307927517 OJCBECAJBSYKJD-SRCQZFHVSA-N 274.383 4.570 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc2c(c1)OCC2 308494567 UQQCFVAXCYSROD-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE C[C@@H]1CCC[C@@H]([C@]2(C#N)CCc3ccccc3C2)C1 311555967 LZCNOHFZIKLKFA-ZTFGCOKTSA-N 253.389 4.512 30 10 CJEE O=C[C@]1([C@@H]2C=CCCCCC2)CCCc2ccccc21 316401171 AGAOYZVURILXKU-MJGOQNOKSA-N 268.400 4.596 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(C)cc2Cl)C1 316783634 WAJHGDCFEMQMQE-XJKSGUPXSA-N 264.796 4.586 30 10 CJEE CC(C)c1ccc(C[C@@]2(C=O)CCCC[C@H]2C)cc1 317431932 PQZXDGBYEAXFMH-CRAIPNDOSA-N 258.405 4.748 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CC[C@@H](C)C1 379717289 PVNRSLSREGBENW-XUJVJEKNSA-N 292.220 4.883 30 10 CJEE C=CCCCCN[C@@H]1CCCc2sc(Cl)cc21 379772675 RQWCEBMXABSBTF-GFCCVEGCSA-N 269.841 4.725 30 10 CJEE C=C(CC)CC(=O)c1ccccc1OCc1ccccc1 381916941 LZBYIZDACXANMI-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1 385073778 VXOZLEVQTKUEBT-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2ccc(Cl)cc21 393831074 BSPNBOPKCJDLLL-JTQLQIEISA-N 266.797 4.506 30 10 CJEE C=C[C@](C)(CNCC(C)C)CC1CCC(C)CC1 394131948 ZJCGLKYXVCHGPN-JCYILVPMSA-N 251.458 4.641 30 10 CJEE Cc1cccc(N[C@@H](C#N)CCC2CCCCC2)c1 395162482 USVHQBVEAYLTBX-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CCCc1ccc(NC[C@H](C#N)C2CCCCC2)cc1 397180608 FDJJAGRNFCCVOF-KRWDZBQOSA-N 270.420 4.771 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(Cl)c2cccnc12 398071748 MKEDVGHLOGZUAV-CYBMUJFWSA-N 288.822 4.723 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 398205192 XUEUTPOSBSQSSS-IUODEOHRSA-N 279.424 4.697 30 10 CJEE CCCCCCC[C@@H](CCC[C@H]1CCOC1)NCC 400938152 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2241386846 QYISYQQAMZKYCX-IEBWSBKVSA-N 271.448 4.891 30 10 CJEE CCCCCCC[C@H](O)c1sc(Cl)cc1OC 2252985759 BILYUVIIRMWPLX-JTQLQIEISA-N 276.829 4.804 30 10 CJEE FC1CC(CCSC[C@H](CS)c2ccccc2)C1 2257939718 AJRVPPPVYPFDQV-BLZCZZARSA-N 284.465 4.571 30 10 CJEE C=CCCCSc1nc(Cl)nc2sc(CC)cc12 2259051165 JTARIUMEELQZEO-UHFFFAOYSA-N 298.864 4.965 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC1(F)F)NCCC 2259194552 WGKMTXNOSZVEAS-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CCCCC#CC[C@]1(O)CC(C)(C)CCC1(C)C 2261400762 DMJIFTDJMSCVGG-KRWDZBQOSA-N 250.426 4.538 30 10 CJEE CCC1CCC(C=O)(CC2(C)CC(F)(F)C2)CC1 2263636738 RKBMOWHZOYKMNZ-UHFFFAOYSA-N 258.352 4.597 30 10 CJEE CCCCCCCCc1scc(C(=O)OC)c1C 2263710367 CPRIFZNBZDYZSE-UHFFFAOYSA-N 268.422 4.746 30 10 CJEE CCCCCC1CC(N(C)CC2(CS)CC(C)C2)C1 2265309276 DRPYXBONQMDNQD-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(CC#N)cn1 2266764282 HAQVHONBLQYLOQ-UHFFFAOYSA-N 292.169 4.507 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(O)CC=CC#CC(C)(C)C 2268728305 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CC#CCCC[C@@H](NCC)C1CC(CC(C)(C)C)C1 2274233369 CGALOTIVERUVGD-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cccc(C(C)(C)C)c1 2274508355 LKMGAEGQQMDCFJ-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE C=C(C)CC1(OCCCN)CCCCCCCCC1 2277077356 ACVFRXKNCABYHO-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)CC)OCCCN 2277120712 BYBYSXDJMPRSBB-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE C=CC[C@@H](C)[C@@](C)(CCCCCCCC)OCCN 2277384465 QQQJMQIAEGSYNV-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@](C)(C(C)C)CO1 2278126221 BENKDKITVPNELY-DLBZAZTESA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@@H](C)COC 2278167941 YWJFJBSPXACWFQ-SJORKVTESA-N 272.473 4.941 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](C)CCOC 2278231491 ZDBJZJBPHLBXQX-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCCC[C@H](CC)CSCCC[C@@](C)(C#N)NCC 2278320418 DCJKXFJVNZGIRB-HOTGVXAUSA-N 284.513 4.608 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C)nc(C)c1C#N 2278326005 XYEDRFTYVQMRKR-CQSZACIVSA-N 276.449 4.879 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 2280054391 GKEBIXOGFNCZPX-YZMJHREJSA-N 295.536 4.623 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@]2(CO1)C[C@H]1CC[C@H]2C1 2283872197 KABDQNYOONJMLH-WNRNVDISSA-N 279.468 4.632 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1CC2(CCC2)C1 2284099497 TUVSYWUFVZIOHQ-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1CC(C(C)(C)C)C1 2284155154 JISXAVZKGLHVNU-JCYILVPMSA-N 275.480 4.643 30 10 CJEE Cc1cc(NCCCCC[C@H]2C[C@H]2C)cc(C)c1C#N 2284952246 CFZQTORXQJEVJY-CJNGLKHVSA-N 270.420 4.803 30 10 CJEE C=C[C@H]1COCCN1CCCCCCCCCCCC 2285355315 AUXBODQNHRJKHN-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1C[C@@H](N)CC 2287469594 IMAMXSJZAHKPGC-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE CCCCCCCC[C@H](CC1CC2(CC(C)C2)C1)NN 2287801217 SDPPAGIFPLCTIG-QQQDYKAYSA-N 280.500 4.785 30 10 CJEE CC(C)CCC[C@H](C)CCN(CCC#N)[C@H](C)C1CC1 2287883116 DYZYFLJIOZXAGR-DLBZAZTESA-N 278.484 4.853 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1CCC2(CC1)CC2 2289705449 MPOZBAXKMFHRDT-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@]1(OCC(=O)O)CCC(C)(C)C1 2290606176 WSUXGLHYMIGDAC-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1C=CCCC1 2290622513 TXUYAJQXHWTQJX-CVEARBPZSA-N 282.424 4.563 30 10 CJEE CC=C(CC)[C@@](C)(CCCCCCC)OCCC(=O)O 2291417261 VWTXBJPLZIERQF-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)C1(C)CCCC1 2292707303 JOMWAZAPQJJQNZ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC1(OCCN)CC(CC)(CC)C1 2292792414 MCALZOWXALYXRW-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(F)cc1Cl 2293268562 KMSZUQWXDUMHPP-INIZCTEOSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CC1(F)F)OCCCN 2293535667 GOZMGDWRNMBXRA-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCC[C@@H](C(C)C)CC1 2294554763 WGHKJHVVMLBLFU-KSZLIROESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@](CCC)(OCCCN)C(F)F 2294598583 VSSSTTYLLJRGQM-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE CN(CCCCCCCS)Cc1ccc(C2CC2)cc1 2294774972 LAZVEOZUOAPXPY-UHFFFAOYSA-N 291.504 4.876 30 10 CJEE CCCC1CCC(C(=O)C#Cc2ccccc2Cl)CC1 2295156880 RGQGFTHDQGJIMF-UHFFFAOYSA-N 288.818 4.867 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC(C)(C)[C@@H](C)NC 2295588244 NKCMPZXRONNDSH-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE C=CCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1C 2301039503 MNCYJQWZEZNLOF-LBPRGKRZSA-N 273.203 4.562 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2312205639 XQUQOZNWCPDWLP-XQHKEYJVSA-N 259.315 4.685 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(Cl)c(Cl)c1 2315491791 RMJVSZSFIZHVPA-IUODEOHRSA-N 284.230 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H](CC)CCCC 2316738873 LZJCDMRYMMERKV-DOTOQJQBSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1cc(C)cc(Cl)c1 2316745591 YVMHPLZZENULQB-MRXNPFEDSA-N 263.812 4.591 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2318639783 UCZNQYOGMCRVRE-ABAIWWIYSA-N 287.230 4.889 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)ccc1Cl 2321111811 BASUQKPKQBYZJB-JKSUJKDBSA-N 265.828 4.901 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@](C)(CC)CC=C 2321126596 BNRFDCJRHQCCAZ-YESZJQIVSA-N 251.458 4.949 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(C)cc1Cl 2321136713 FDOPDOWTFMPEHR-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1csc2ccccc12 2321227049 ATHXJIUJKPSWMB-CVEARBPZSA-N 260.402 4.927 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCCOC(C)(C)C)C1 2321962409 BTDKNHJUQJBUQW-HOCLYGCPSA-N 251.414 4.692 30 10 CJEE C=C[C@H](NCc1cc(F)c(Cl)cc1Cl)C1CCC1 2325250131 CKXMLAQJSHOMNZ-AWEZNQCLSA-N 288.193 4.577 30 10 CJEE CCCCC1CCC(C(=O)ON=C(C)C(C)C)CC1 2329920912 DMZWHCZRWKLYBD-UHFFFAOYSA-N 267.413 4.558 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](NCCC)CC2(CCC2)C1 2335103808 QXAWXPHOPUJRSK-HRCADAONSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)Oc1csc(CN[C@H](C)CC)c1 2335108971 NUDDJEZHAZZFQG-CYBMUJFWSA-N 279.449 4.536 30 10 CJEE C=CCC(CC=C)Sc1nc(CNC(C)(C)C)cs1 2335241741 LJTWJSNZOFBVEW-UHFFFAOYSA-N 296.505 4.644 30 10 CJEE CCCCCCCCC[C@H](O)c1cnccc1SC 2336853547 CBTVMNYFYQGRMI-HNNXBMFYSA-N 281.465 4.978 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC[C@@H]1C[C@H]1C1CCCCC1 2337156600 ZYUSPICWYACUDH-XSLAGTTESA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)C1(CNC(C)C)CCC(C)CC1 2338738584 NOOJBJLKJHFJLC-UHFFFAOYSA-N 263.469 4.949 30 10 CJEE C[C@@H]1CC(C#N)(CCCC2=CCCCC2)C[C@@H](C)O1 2341049450 ZEOBRHUTJRASNM-HUUCEWRRSA-N 261.409 4.754 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)cc(F)c1F 2344379435 XTAPFCZUOVTXCE-MLGOLLRUSA-N 267.363 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)cc(C)c1 2344380560 RQQFHTJSBPTULR-ROUUACIJSA-N 259.437 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cnc(C(C)(C)C)s1 2344385318 OSBNZDQARGTAIN-CJNGLKHVSA-N 280.481 4.694 30 10 CJEE C=CCCCCCCC(=O)c1ccnc(C(C)C)c1 2353584637 USUULIGTMDAFNQ-UHFFFAOYSA-N 259.393 4.914 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H]2CCN[C@H]1C2 2355747192 APZNSVNGGBMRSM-FGTMMUONSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]2CC[C@H]1C2 2359312752 OPDGGFYMOSIUSQ-XDNAFOTISA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)cc1C[C@H](N)CC 2360207558 IYSPYYPNAWMFTM-MRXNPFEDSA-N 289.488 4.888 30 10 CJEE N#Cc1ccc(NCCc2ccc(Cl)cc2Cl)cc1 20547677 ZZNRRVBRAQBHPT-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE C#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=CCCC[C@H]4[C@H]3CC[C@]21CC 34404824 MXXKGWYLIJQEBP-OKAKVDCISA-N 298.470 4.704 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)N)cc1F 59087990 JOFDPJXTYNCERY-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE CCCCCCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 59474640 NZVBLRHARYGUQZ-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE C[C@H](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)(C)C 70270412 NJYFPNZOZLJVAZ-LLVKDONJSA-N 292.810 4.613 30 10 CJEE CCCCCCCN(CCCCCCC)C(C)=O 79417934 UHGFFZLCTCGKNX-UHFFFAOYSA-N 255.446 4.776 30 10 CJEE COc1ccccc1-c1nc(C(C)(C)C)c(CS)s1 82440420 MBVDXTBEEKJDIP-UHFFFAOYSA-N 293.457 4.546 30 10 CJEE CC(C)(C)n1nc(-c2ccccc2)c2c1CCC[C@H]2CC#N 82825822 AXDSJKVKJJVTNV-AWEZNQCLSA-N 293.414 4.639 30 10 CJEE Cc1cc2c(C(=O)CC#N)cn(CCC(C)C)c2c(C)c1C 84862480 XVYXAAQVPITFRG-UHFFFAOYSA-N 296.414 4.709 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87930485 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C=C(C)CCCC[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1 2259197336 XGKHKGWDJYXNJC-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCN=C(NCC)SCC[C@@H](C)CCCC(C)C 2259624479 KWUKFJJEALAXSQ-AWEZNQCLSA-N 272.502 4.558 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1sc(C(F)(F)F)cc1C 2263439627 LAWZONPVQNRXTI-KWQFWETISA-N 278.339 4.711 30 10 CJEE C=CC[C@H]1CCCCN1CC[C@@H]1CCCCC12CC2 2264929677 QZXXIBCXTPLHNU-IRXDYDNUSA-N 261.453 4.778 30 10 CJEE CCCC[C@@](C)(C#N)c1ccc2cccc(C)c2n1 2264971296 LANGSEFNCISRQJ-KRWDZBQOSA-N 252.361 4.515 30 10 CJEE CCCc1ccc(CC(=O)C2=CCCCCC2)cc1 2268239085 GLHVKJWWSVRRDL-UHFFFAOYSA-N 256.389 4.641 30 10 CJEE CC[C@@H]1CCC[C@@H](C(=O)CC=CC#CC(C)(C)C)C1 2268741784 JXAOKEAPYXQKRN-HZPDHXFCSA-N 260.421 4.768 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H](C)CCC 2268756804 JHWUIUMLWIUPDW-DLBZAZTESA-N 263.469 4.787 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C(F)(F)C12CC2 2271793771 ZKMZJDHGQDFVQH-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1 2271793781 ZMMKOXUDWOHZTD-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCC(=O)C(C)(C)c1ccc(F)cc1 2271838914 LMBWBIWEOPUUOD-UHFFFAOYSA-N 262.368 4.809 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NCC(C)(C)CS1 2272259956 GZLWLLKCGGZGIK-AWEZNQCLSA-N 284.513 4.558 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cnc(C(C)(F)F)s2)CC1 2273592650 JTCPETKDPYBOIB-SECBINFHSA-N 285.359 4.574 30 10 CJEE C=CCCCCC[C@](CCC)(OCCN)C(C)(C)C 2276213327 MLEDBUSYGMXSSZ-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCCN1CC[C@@H](OC)CC12CC2 2280571477 BXISUSSJOZFQKL-QGZVFWFLSA-N 279.468 4.547 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H]1CCCC12CC2)NCC 2281325125 LCYPFEGKFYRMHM-QZTJIDSGSA-N 269.432 4.648 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc(CCC)cc1 2283481950 IAKZVGNJEHCTRT-LJQANCHMSA-N 271.448 4.873 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@H]1C 2284100316 GHWUWHKBFVCKRG-FGTMMUONSA-N 275.480 4.787 30 10 CJEE COCCCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2287543750 WAMXBJFMNLLMFB-BZUAXINKSA-N 297.508 4.891 30 10 CJEE C=C[C@H](C)CCN(C)c1cccc(Cl)c1[C@H](C)NCC 2288887071 CSTFGCZUEGFQBF-KBPBESRZSA-N 294.870 4.659 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1scc(C)c1C 2289865598 LGJJIFPDNFVROD-QGZVFWFLSA-N 289.488 4.989 30 10 CJEE CC[C@](CC#CC1CCCC1)(CNCC(C)C)C(C)C 2289902259 ZOOYELPJSQWLBI-IBGZPJMESA-N 277.496 4.868 30 10 CJEE C=C1C[C@@H]1C[C@@](C)(CCCCCCCC)OCC(=O)O 2291011120 IFZKUWHUXCDKSY-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)C[C@H](C)[C@H]1C 2291585253 BFTONGQSPFAGPG-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CC1(C)C)OCCCN 2293332030 YABRLZBJKMRQRK-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CCC[C@@H]1C 2294248073 FDGOENBZFVWTSY-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCN[C@@H]1CCCCC[C@@H]1C#Cc1ccccc1Cl 2295205804 ZBCURPNBZDENHN-SJLPKXTDSA-N 289.850 4.640 30 10 CJEE CCCCCC[S@](=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2295759710 TUELSHIIWBAUFB-MFCZKXCZSA-N 297.508 4.670 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(NCC)C(C)(C)C 2295763791 MGJGNHLMBWXYGL-DOTOQJQBSA-N 298.540 4.854 30 10 CJEE Cc1ccc(C(=O)C=CNc2ccc(F)c(C)c2)cc1C 2296876307 KOQDYCWBYFSDCN-UHFFFAOYSA-N 283.346 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)cc(Cl)c1 2304035157 JSTMTVMWWWPYLI-CABCVRRESA-N 251.801 4.641 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccccc1Br 2304057458 DFMKWCDMCPKPBW-LSDHHAIUSA-N 296.252 4.702 30 10 CJEE C[C@H]1CC[C@H](CSc2cccc(F)c2C#N)CC1 2313842729 PLPAYXRABLSFNW-HAQNSBGRSA-N 263.381 4.616 30 10 CJEE C=CCSc1ccc(C)c(Cl)c1CNCC(C)C 2314006929 HOAIWVCGWIXEFL-UHFFFAOYSA-N 283.868 4.672 30 10 CJEE Cc1c(F)ccc(CC2(C#N)CCCCC2)c1Cl 2317169115 BXNLNWNDUCEXMN-UHFFFAOYSA-N 265.759 4.804 30 10 CJEE C=C[C@](N)(CCCc1cc(Cl)cc(Cl)c1)C1CC1 2318685094 IWINZGFSFKAOQE-HNNXBMFYSA-N 284.230 4.610 30 10 CJEE C=CCSc1ccccc1NC[C@H]1CC12CCC2 2318907433 FEPYWTWLZMMEPC-CYBMUJFWSA-N 259.418 4.567 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H](C)C(F)(F)F)NC 2321105332 OKKPQBDYMXAPKI-AVGNSLFASA-N 265.363 4.545 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCCC 2321117832 PZOCDIRXMAEFOS-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(C)cc1Cl 2321227945 IUQXGMKQPXIYST-HOTGVXAUSA-N 266.812 4.544 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CC[C@H]1SC 2327890468 MELGGTZZUPWHDY-CVEARBPZSA-N 270.482 4.940 30 10 CJEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CCC2=NN 2328660993 OTWRKZRQJVDSJI-HKQXQEGQSA-N 288.479 4.734 30 10 CJEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2ccc(C)cc21 2337167266 SXUSWFUMESLOKS-TZMCWYRMSA-N 272.417 4.551 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(F)c(C)c2Cl)CC1 2338549632 POOCXLJVVOMDQU-HNNXBMFYSA-N 282.786 4.957 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccncc1C(C)C 2338612768 SHFDBWWIJDXLEB-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1C[C@H]1C1CCCCCC1 2338669027 ZJJDKVZKYAXXSP-DLBZAZTESA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@]1(CNCCC)CCCC[C@H]1C 2338728488 VQTWUUBTKATSBG-AEFFLSMTSA-N 263.469 4.951 30 10 CJEE C=CCC[C@H](C)N(C)CC(C)(C)Cc1ccccc1 2339500178 MAVYJDPWONCJMA-INIZCTEOSA-N 259.437 4.542 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCc2sc(Cl)cc21 2339963554 HVIQCRZFEZUZHI-CQSZACIVSA-N 287.815 4.872 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(F)c(C)c1C 2340956696 UCFHPRWJPIHJSK-KRWDZBQOSA-N 265.416 4.977 30 10 CJEE C=C(C)C[C@@H](Cc1cccc(C(F)F)c1)NCCC 2341918528 VMXHZMRQUYSZCO-HNNXBMFYSA-N 267.363 4.501 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1cccc(Cl)c1C#N 2343117298 TYTIBWOEYAGORY-WCQYABFASA-N 276.811 4.696 30 10 CJEE C#Cc1c(F)cc(N[C@@H](CC)C[C@@H](C)CC)cc1F 2344191468 PGJDIRKSEWUMCQ-RYUDHWBXSA-N 265.347 4.573 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC[C@@H]1C[C@H]1C1CC1)NCC 2344342410 JZBBCVXVKSMDFI-XMTFNYHQSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC2(CC(C)C2)C1)NC 2344348401 KKBBFTIPMWLNGM-PGOFZRONSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1CC(C(F)(F)F)C1 2344378178 FWMDHDMCLCNZTF-WXRRBKDZSA-N 277.374 4.545 30 10 CJEE CC1(C)CC(CS)(CO[C@H]2CCC3(CCCC3)C2)C1 2344976713 HKIIJVGMXYYFLE-AWEZNQCLSA-N 282.493 4.852 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)[C@H](C)CC(C)C 2351994297 DDUYSBAWINOAAD-CJNGLKHVSA-N 284.465 4.766 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1CCC(C)(C)CC1 2352069053 PVCSMZOYUATCNJ-KRWDZBQOSA-N 285.541 4.869 30 10 CJEE C#CC[C@H](N[C@@H](C)c1ccc(Cl)c(C)c1Cl)C1CC1 2353051772 OOWHWVNXDKFBDZ-NHYWBVRUSA-N 296.241 4.754 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@H](C)NCC)c(Cl)c1 2360220006 PXEDWBGXVMBMLP-ZDUSSCGKSA-N 293.838 4.910 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CCC1(F)F)OCCN 2360416740 BKMSKTICZKLWMY-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE C[C@H](C#N)Oc1ccc(C(C)(C)C)cc1C(C)(C)C 11834559 URBCDZIMLWGIRA-GFCCVEGCSA-N 259.393 4.572 30 10 CJEE C=CCOc1ccccc1CNCCCCCCC(C)C 34991363 OVRIMGRIWVPSIZ-UHFFFAOYSA-N 289.463 4.948 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(CC#N)cc2)cc1C 37071352 PYASLUWKDVNGNC-OAHLLOKOSA-N 264.372 4.543 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccn2)C1 37155146 OUOJTDHFMHYNRX-MELADBBJSA-N 274.433 4.528 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(C#N)Nc1ccc(F)cc1 37935755 SOTDTRYZBXENOF-RDJZCZTQSA-N 274.383 4.736 30 10 CJEE C[C@@](C#N)(CCc1ccccc1)Nc1ccccc1Cl 37938267 HMNAJTYOOSDDDR-KRWDZBQOSA-N 284.790 4.667 30 10 CJEE CCc1c(-c2ccc3ccccc3c2)sc(C#N)c1N 44273894 UQJMQGFSOHFQGA-UHFFFAOYSA-N 278.380 4.585 30 10 CJEE CC(C)(C)c1ccc(C[C@H](C#N)c2cccc(C#N)c2)cc1 57744836 IZZDALZPUWJIIT-GOSISDBHSA-N 288.394 4.706 30 10 CJEE CCCCCCCN[C@H](C)Cc1ccccc1Cl 59422902 DFULMLIDGWMQJJ-CQSZACIVSA-N 267.844 4.831 30 10 CJEE CCCC[C@@H](CC)Nc1cccc(OCCCC#N)c1 69377451 KVMAWPUCTGAZOH-OAHLLOKOSA-N 274.408 4.750 30 10 CJEE C=C(C)Cn1nc(C#N)cc1-c1ccc([C@@H](C)CC)cc1 76849467 VEMNKSSHGQKWND-AWEZNQCLSA-N 279.387 4.511 30 10 CJEE CCn1c(C[C@@H](C)CC(C)(C)C)nc2cc(C#N)ccc21 86635553 ZBEQEPVSSAFHCR-CYBMUJFWSA-N 283.419 4.543 30 10 CJEE CCOc1ccccc1OCC[C@@]1(C#N)CC[C@@H](CC)C1 88415910 GUAGWKOOPVRYDL-QAPCUYQASA-N 287.403 4.574 30 10 CJEE Clc1ccc(C#Cc2ccccc2Br)cc1 90486271 OSKVIIXNRQIMNF-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE SCC1(CN2CC[C@@H]3CCCC[C@@H]3C2)CCCCCC1 94579202 LMKBCOILLWMWEY-DLBZAZTESA-N 295.536 4.769 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc2ccccc12)NCC 97419637 HFEZVZUMVIOWFJ-SFHVURJKSA-N 267.416 4.717 30 10 CJEE C/C(=N/[C@@H](C)C/N=C(\C)c1cccs1)c1cccs1 102035011 PQWMSOFECDVPSP-VVVWETRKSA-N 290.457 4.516 30 10 CJEE N#Cc1ccc(Nc2ccccc2Cl)c(Cl)c1 103997132 ULZWYASOMOPIDL-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCCCCCNCc1ccc(F)c(F)c1 105839683 CXFWUORBJHCQCI-UHFFFAOYSA-N 269.379 4.805 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1c(OC)cc(C)c(Cl)c1C 107626194 RWMGKJUMGWOGTM-PWSUYJOCSA-N 264.796 4.728 30 10 CJEE CCCCCCCCCC[C@H](CCOC)NCCC 109729216 VOUHDMIHWNCGDT-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCOC(=O)c1cc2cc(N)ccc2o1 109894398 YSTOBFHRUPGVOS-UHFFFAOYSA-N 289.375 4.532 30 10 CJEE C=CCOc1ccc(CNCC2CCC(CC)CC2)cc1 109917945 QWFXGRNPQVEWML-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](O)c1ccc(C)cc1 110023391 HWTMMUKCRWZFME-WMZOPIPTSA-N 278.436 4.794 30 10 CJEE CCCCCCCCO[C@H](CNCC)c1ccccc1 110070466 NUXKVXVAUTUKDM-GOSISDBHSA-N 277.452 4.714 30 10 CJEE COc1ccc(Cl)cc1Nc1ccc(Cl)cc1C#N 110252332 QWFKMMVWTNMICP-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c(F)c2)cc1Cl 110255649 IVLQFILALQJKPO-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCC[C@@H]1CCCc2ccccc2[C@H]1N 111609861 VYXSRKSEKDIRAS-AEFFLSMTSA-N 259.437 4.999 30 10 CJEE CCCCCCCc1noc(N)c1-c1ccc(F)cc1F 114347696 GGYRJGFYWSAONS-UHFFFAOYSA-N 294.345 4.715 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(Cl)c2c(c1)OCO2 115651810 KEMIAVZLWGXNHW-CQSZACIVSA-N 298.810 4.853 30 10 CJEE Cc1ccc(F)c(Nc2cc(Cl)ccc2C#N)c1F 122228135 YERNIJZEFBLVQR-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@@H](CC1CCCCCC1)NN 122367590 YBEGHANEGHVHIG-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCCCCN(C)C(C)(C)CO 127608987 ZYAXYPCPUMBANG-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccc(C3CC3)cc2)c1 127745799 VVMCHWPOVAXZJD-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C#CC[C@H](CC)N[C@@H](CC)c1ccc(Cl)cc1Cl 129800071 HDSLOBZFNUQJLJ-WFASDCNBSA-N 284.230 4.836 30 10 CJEE CCc1cc(CC)n([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)n1 130297867 IECIFWDLAXJLRU-CKEIUWERSA-N 287.451 4.535 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(CC)OCC 159868612 SFUFDJJEZGUFPU-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCC[C@H](NC)C1=CCCO1 160792932 FIPTWXMZNJTYBP-INIZCTEOSA-N 267.457 4.800 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCCCS1 161326011 DWNMXKHMGRBHSV-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCO[C@@H]1C 162338774 IFLIKFRSLUHHRU-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(Br)cc1 164507037 JCXQQPRKCOUTRN-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCCCCCCCCNC1=N[C@@H](C)[C@H](C)CS1 165798738 CSDUYDPXQYCXCO-CABCVRRESA-N 284.513 4.844 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(OC(C)C)c1 167757658 URMXBJKUUFOPSR-SFHVURJKSA-N 275.436 4.871 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(C#N)cc1Br 213229193 BICITANTZNIQRX-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC 219295737 YTVREXFRNMTOTI-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE CCC[C@H]1CCCN([C@@H]2C[C@@H](CC)CC[C@@H]2C#N)CC1 226983492 QXOUDLOGZAQQTM-WNRNVDISSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@@H]1CN 227122333 HGQDHJJCAAEUIH-ROUUACIJSA-N 282.516 4.576 30 10 CJEE SCC1(CN2CCC[C@@H]3CCC[C@H]32)CCCCCC1 227250008 AQHSNQALYJLFDC-JKSUJKDBSA-N 281.509 4.521 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CN2CCC[C@@H](C(C)(C)C)CC2)C1 227550861 VFNBSVOKVXTXFL-ZHALLVOQSA-N 293.495 4.530 30 10 CJEE CC#CCC[C@@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229321786 BUXDYXRTRSSTDS-HQPWOFCDSA-N 287.491 4.765 30 10 CJEE CCCCCCC[C@H](Cc1ccnc2ccccc12)NC 229598246 GCXKOCJETCIMLU-QGZVFWFLSA-N 284.447 4.726 30 10 CJEE CCCCCCCCCCC[C@@H](COCCC)NC 229796862 RCVKLKOCKWPMFU-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=CCCCCCOc1ccc(CNC(C)C)cc1Cl 232646512 RWHHBHMAINBENN-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CC(C)c1ccc(SC[C@H](C#N)C(F)(F)F)cc1 232732415 WKPJHHBQSZJLSH-NSHDSACASA-N 273.323 4.604 30 10 CJEE C=C(C)CN(CC)c1ccc([C@H](CC)NCCC)cc1 233120664 QVUNHXHIRNBILZ-SFHVURJKSA-N 274.452 4.540 30 10 CJEE CC[C@@H](CS)CSCc1ccccc1Cl 233877129 OFVLXBUOZHTVLM-JTQLQIEISA-N 260.855 4.529 30 10 CJEE C=CCCCCC[C@@H](O)Cc1cccc2ccccc12 236548356 KAHWOOAAJDGIEX-GOSISDBHSA-N 268.400 4.880 30 10 CJEE CC[C@@H](C)c1ccccc1NC(=O)Nc1ccc(C#N)cc1 244092806 UETJQJOKVATMRJ-CYBMUJFWSA-N 293.370 4.716 30 10 CJEE CCCCCCOc1ccc2ccccc2c1C=NO 249785748 HPOFMTHEFKDDIY-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H](C)[C@H]1C 251122262 IJGYHBVXXOUBDT-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE C[C@@H]1CC[C@H](OC[C@@H](CS)c2ccccc2)C[C@H]1C 251669798 GKEUBZXWQNAYFS-JHNDHUHGSA-N 278.461 4.541 30 10 CJEE CCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252373200 OVXNSZSAOGROMU-BFHYXJOUSA-N 253.455 4.874 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CO[C@H](C)C1 253051532 VIQGQSJKTWCNGY-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@@H](C)S1 300170988 PUHLMBDITGCSKX-KBXIAJHMSA-N 289.554 4.690 30 10 CJEE O=C[C@H]1CCCC2(CCCCCCCCCCC2)O1 311475395 ZLPRVQMVVHWCCM-MRXNPFEDSA-N 266.425 4.798 30 10 CJEE N#CC[C@@H](C(=O)C1CCCCCCC1)c1ccccc1 312171130 SDOKTVLXQQCZDY-QGZVFWFLSA-N 269.388 4.613 30 10 CJEE C=CCC(C)(C)CNc1ccc([N+](=O)[O-])cc1C(F)F 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C#Cc1ccccc1N[C@H]1C[C@H](C)Sc2sccc21 2339963318 GQAFYNSEDZRCPO-NHYWBVRUSA-N 285.437 4.767 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2341886550 UCEFWWPBDZMAHJ-MFKMUULPSA-N 289.728 4.586 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)c(F)c(C)c1 2344339690 LILCCZGDRHFZRW-MRXNPFEDSA-N 263.400 4.695 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(CCF)CC1)NCCC 2344342127 HIZFCRWVSNLRIX-JKSUJKDBSA-N 269.448 4.877 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)cc1F)NCCC 2344345448 MUVGLFVWSGBALH-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1coc2ccccc12 2344349008 PKCZVPBIQCKLRF-IAGOWNOFSA-N 257.377 4.686 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H](CC1CC1)C1CC1 2344371314 JEEYSOZNSMOQRJ-IAGOWNOFSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cc(C)cc(F)c1 2344372632 UHQKJXKORIBBHG-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CCCS[C@](C)(C(=O)O)C1CCC(CCC)CC1 2351995849 JSKBODFMVCNVMD-XUJLQICISA-N 284.465 4.746 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC1CC2(C1)CC21CC1 2352178310 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TURDTZFZIBWONX-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE C=CCCCN[C@H](C)c1ccc(Cl)cc1Cl 70591362 YPTFAISAEVEQLG-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cccc(OCCCC#N)c1 71161191 WDPFHMOFXJTALN-MAUKXSAKSA-N 286.419 4.750 30 10 CJEE C=CCCCNc1ccc(C(F)(F)F)cc1Cl 71275510 BDSZDPMNWNILNS-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 79973116 OWHXHKSUHIJHKR-ZDUSSCGKSA-N 262.784 4.592 30 10 CJEE C=C(C)Cn1cc(C#N)c2cccc(-c3ccccc3)c21 84871697 FBQZBRRJVZASQZ-UHFFFAOYSA-N 272.351 4.756 30 10 CJEE C=CCCn1cc(C#N)c2cccc(-c3ccccc3)c21 84871710 AGULNXQVVIPQPN-UHFFFAOYSA-N 272.351 4.756 30 10 CJEE C=CCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 94201151 KSZBQUTWOQTQGQ-CYBMUJFWSA-N 287.234 4.785 30 10 CJEE CC1(C)CCCN(CC2(CS)CCCCCC2)CC1 94577875 MEWLQAXJZFAFFL-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCC(CC)(CC)CS 94583639 BTDLZHWUCBUEEA-ZIAGYGMSSA-N 258.471 4.708 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(OCCCC)cc1 97390164 FONCUMTYDSPAEF-IBGZPJMESA-N 287.447 4.710 30 10 CJEE CC(C)C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccccc1 109947670 GXGJPAYFIIHLNE-GOSISDBHSA-N 282.362 4.897 30 10 CJEE CCCCCCCCCN[C@H](C)CCc1ccco1 110166951 BAJPDDUJKIGHMV-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)CC(C)(C)O2 110175199 AHONURZXZUKHNQ-UHFFFAOYSA-N 274.404 4.943 30 10 CJEE C[C@@H]1CCc2ccccc2N1c1ccc(Cl)cc1C#N 110251141 YLQFAVJZZFBWKN-GFCCVEGCSA-N 282.774 4.684 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CNCC 111610439 KYWAVAGIPLTIGJ-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@@H]1Cc2ccccc2[C@H]1NC 111726688 RWQYOUAIGZPLHM-AEFFLSMTSA-N 259.437 4.870 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@@]1(C)CC 114059340 QPUKWYZOSDVDFW-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC)c(C)c1 115062692 JXHXZCDXONTTOR-MRXNPFEDSA-N 263.425 4.754 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(N(C)C)CCCC1 118173851 YFTXTLSKWNNAFO-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCn1ccc([C@H](C)O)c1 118237276 YTZHZVVACVDXAK-HNNXBMFYSA-N 251.414 4.682 30 10 CJEE C=C[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 125714325 CVOGWLLNUJPYDW-IRXDYDNUSA-N 293.410 4.566 30 10 CJEE CCCCCCCOc1cc(C)c(F)cc1[C@H](C)NC 128361347 ZHFUCJXPTHXCSO-AWEZNQCLSA-N 281.415 4.764 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccccc1F 157900653 GYYDUOQXPUAZAD-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@@H]1C 162279963 BIRFJTDPPYBPDW-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(F)ccc1SCc1ccc(Cl)cc1 165990749 OHHTXYZKXSGZQK-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE Fc1c(Cl)cccc1OC[C@H](CS)c1ccccc1 167434146 NQANONCZHXRPGA-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE Cc1cccc(S[C@H](C#N)C2CCCCCC2)c1 167877006 IOWHEKMPFQCRGW-MRXNPFEDSA-N 259.418 4.950 30 10 CJEE CC1CCN([C@@](C)(C#N)Cc2ccc(C(C)(C)C)cc2)CC1 212324847 FLKNKRBCOYUGIO-HXUWFJFHSA-N 298.474 4.541 30 10 CJEE CCC(CC)N(CC(C)C)C[C@@]1(C=O)CCC[C@@H](C)C1 223558404 REANCQJIBUFAMK-SJLPKXTDSA-N 281.484 4.528 30 10 CJEE C=CCOc1ccc(CN[C@H](CCC)CCCC)cc1 225988220 NYNBOBQKDDGKSU-QGZVFWFLSA-N 275.436 4.700 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@@H]1CO 227180634 UGDDUCKUVHXMQW-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473076 ULEYWCKFKADDEU-MDZLAQPJSA-N 280.824 4.546 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)c1sc2ccccc2c1C 229921222 QGEFADKFECYNOA-KGLIPLIRSA-N 271.429 4.662 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@@H](CC(C)C)C1 230779462 PWXIPBGKAFTMRL-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 231003913 DJUGRIPABLGKRH-CZUORRHYSA-N 276.811 4.860 30 10 CJEE CC(C)CCN(CCC(C)C)[C@@H]1CCCCC[C@@H]1C#N 232551353 KUNKCJOGSUGVPE-QZTJIDSGSA-N 278.484 4.853 30 10 CJEE C=CCCCCC[C@@H](O)C1CCC(C(C)C)CC1 232579025 NQJWAKPUOCZSMM-OFLPRAFFSA-N 252.442 4.946 30 10 CJEE CC(C)[C@H](NCCCCC(C)(C)C#N)c1cccs1 232737181 HYEAIVZKHACVAK-HNNXBMFYSA-N 278.465 4.755 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ncccc1Cl 232948369 BKVQDPBQMZYCCX-OAHLLOKOSA-N 297.874 4.770 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1csc(Cl)c1 235516384 QDQMUIBRSHLUJU-VIFPVBQESA-N 294.782 4.894 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCCc2ccccc21 236536195 KDESNVZWDPRNRC-MSOLQXFVSA-N 258.405 4.604 30 10 CJEE N#Cc1ccccc1/C=C(/Cl)c1nc2cc(F)ccc2o1 255333763 UUPWJYSDERTJNV-NTUHNPAUSA-N 298.704 4.575 30 10 CJEE CC[C@@H](C#N)c1ccc2nc(C3CCCCC3)[nH]c2c1 258497267 BSFDLNYQOLNEEW-LBPRGKRZSA-N 267.376 4.628 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCC[C@H](C(C)C)CC2)c1 308156649 RDFDUHHFVBCOOX-IRXDYDNUSA-N 270.420 4.884 30 10 CJEE CCCCCCCCCNC(C)(C)CN1CCCCC1 308631339 BCULFEFBTMCCDT-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE C=C(C)CCNc1cc(F)c(Br)c(Cl)c1 308787455 BVSOQUCPWQWKND-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)/C=C\c1ccccc1 309596638 BPELXKISWLRPPM-NJWFCXLTSA-N 299.414 4.678 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)CC(C)(C)c1ccccc1 312510335 DHQMORNRDVEIEW-INIZCTEOSA-N 273.464 4.935 30 10 CJEE CCCCCCCC[C@H](C#Cc1ccccc1)NCC 314985694 SJMCOAWCDXUYND-LJQANCHMSA-N 271.448 4.767 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2c(C)cccc2C)C1 316910285 VJNMTVSTYVRKPP-SJLPKXTDSA-N 258.405 4.631 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2sccc2Cl)C1 317327609 PTMSQQPTGBPELY-RISCZKNCSA-N 270.825 4.730 30 10 CJEE Cc1ccc(CC2(C=O)CCCCCCC2)cc1C 317757871 TWIDGCLQPKERAF-UHFFFAOYSA-N 258.405 4.776 30 10 CJEE C=CCSc1ccccc1NC[C@]1(C)CCCS1 385562417 BSZVVHWXYHMULN-HNNXBMFYSA-N 279.474 4.662 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(C)cc(Cl)c1 388879120 IXTLMQAKDWPMTH-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE C=CC[C@H](CC)NCc1cccc(Oc2ccccc2)c1 393769844 GOQYEYQPHWRSRY-KRWDZBQOSA-N 281.399 4.923 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2sccc2Cl)CC1 394080257 HPWYVYSBVJCXBZ-AWAWDMARSA-N 283.824 4.545 30 10 CJEE CC(C)(C)CC(C)(C)NC[C@@H](C#N)C1CCCCC1 397287691 KSJYCHWFODWSTQ-OAHLLOKOSA-N 264.457 4.511 30 10 CJEE C=CCCC[C@H](C)Nc1cc(Cl)c(Cl)cc1N 398069743 LKAFGKNKJPORQZ-VIFPVBQESA-N 273.207 4.732 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 399154371 ILZKIMASXHOASS-MWLCHTKSSA-N 298.213 4.852 30 10 CJEE CCCCCCCCCC[C@@H]1[C@@H](NCCC)CO[C@@H]1C 405821284 KHLLYOZZGIABQO-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCOc1ccccc1/C=C\C(=O)c1ccccc1Cl 606208330 ZZOQYVZHFIRYRZ-QXMHVHEDSA-N 286.758 4.635 30 10 CJEE C[C@@H]1CCCC[C@@H]1C/N=C1/NC2(CCCCC2)CCS1 687319104 VWGXLCPFEYZXOG-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE COC1(CC2(C=O)CC(C)(C)CC(C)(C)C2)CCCC1 688029970 OXCHDVDDUOLEMN-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CCCC[C@@H]2O)C1 688340458 YGXSZTSFQRSGAU-CABCVRRESA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@@H]1CCOC1 689836118 LQSKDISTCJBIEM-SJORKVTESA-N 269.473 4.532 30 10 CJEE C#CCCC[C@@H](NCCC)C(CC)(CC)C(F)(F)F 690271274 JYZSUXFBKKIDKA-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H]1CCC[C@H]1C 690952369 PHLBWXPNOOFNLF-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(Cl)cc2C#N)CC1 695704950 QYHSMUWPARLNBW-CQSZACIVSA-N 276.811 4.982 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)[C@H](C)CC(C)(C)C#N 695840617 DBUSYFPFUQDEJE-OLZOCXBDSA-N 278.827 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)CNCC 696316113 CLEMGCUGBHUDLP-ZWKOTPCHSA-N 285.516 4.904 30 10 CJEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698827705 MRILBDBQYHBKHI-HNNXBMFYSA-N 294.439 4.639 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@H](C(C)C)C1 704039054 VJNDSEXNXMZTGH-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE Cc1ccc(S[C@H](C#N)[C@H]2CCCC[C@H]2C)cc1 704931124 XKFDSUQQLGEDOS-VNQPRFMTSA-N 259.418 4.806 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc2ccncc12 705669987 UFXVTBCRFCMOEU-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708029441 WGXIUEUMMNMUDI-WDMOLILDSA-N 269.310 4.995 30 10 CJEE C[C@H](CC1CCCC1)Nc1ccc(C#N)c(Cl)c1 709672029 MWCPDUQGLZMSGO-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCCC[C@@H]1C1CC1 709999566 UTENNBLKRCPHBS-SJORKVTESA-N 295.536 4.767 30 10 CJEE CCC(C)(CC)/N=C1/NC2(CCCCCCC2)CS1 713283708 AOBJGCXJQNKGBM-UHFFFAOYSA-N 282.497 4.741 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](CC)C[C@@H](C)S1 716935893 RVJTZQBLOZQJKD-BFHYXJOUSA-N 270.486 4.595 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)[C@]2(C)CC2(C)C)CC1 717117019 ZUDGEQGJPXKWSA-YHOSQGMISA-N 277.452 4.530 30 10 CJEE CCCCCCCCCCCCN1CCC[C@]1(C)CO 723035976 IFUFNNCUAWRHMC-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CCCCCCCCC[C@@]1(CN)C[C@H](C)O[C@H](C)C1 724301189 YBPKMBWRKRZCEC-FVQHAEBGSA-N 269.473 4.660 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@H]3CC[C@H]2C3)CC1 724568574 TYCZGEAEEXBLSO-CADBVGFASA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2CCCCC2(C)C)CC1 724616976 KABLFSGNEUVJEH-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C[C@H](CCC1CC1)/N=C1/N[C@@H](C2CCCCC2)CCS1 725106191 UCAUIQFOPCEOTL-CZUORRHYSA-N 294.508 4.597 30 10 CJEE N#CCc1ccc2c(SC(F)(F)F)c(F)sc2c1 725305306 XUCXTTDIOQZWOL-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE Cc1cc(Nc2cc(C#N)cc(Cl)n2)cc(C)c1Cl 821913595 YSRNCOQNFNZWGZ-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE Cc1ccc([N+](=O)[O-])cc1N=Cc1cccc2ccccc12 1084566671 DTKADQWLQNGKKZ-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1127384179 OJYQYDONOJSHIV-NXHRZFHOSA-N 285.431 4.636 30 10 CJEE 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C=CC1(C[C@H](NCCC)[C@@]23CCC[C@H]2CC3)CCC1 2273327260 VNTLSGDMXBHYKU-XYJFISCASA-N 261.453 4.681 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1csc2ccccc12 2273987712 CPZPXUHTERQNKQ-INIZCTEOSA-N 270.397 4.518 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cc2sccc2s1 2274128503 KQSCIELWJVAKTD-CYBMUJFWSA-N 289.469 4.807 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1CCC 2276574006 AEVFRRCVMWZYJD-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1cccs1 2276901205 CGWQHWZWDSRHJV-HNNXBMFYSA-N 283.481 4.905 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCc2ccc(F)cc2)C1 2277453077 AJSMIQWUACIWOT-WMLDXEAASA-N 262.368 4.544 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccncc1C 2278167308 SIGUCMXGMFIIGO-KRWDZBQOSA-N 263.425 4.738 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCO[C@@H]1C 2278239374 LYEYGAMKGXYHHO-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1cccs1 2278246150 YPTPLLMZBCQOSC-JKSUJKDBSA-N 283.481 4.640 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(C)nn(CC)c1Cl 2281309037 FVYRFLDMYCOFKH-CQSZACIVSA-N 299.890 4.876 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)CC=CC#CC(C)(C)C 2284084947 XXRHWQCKCUCEKN-ZHALLVOQSA-N 276.464 4.806 30 10 CJEE CC(C)C1CCC([C@H](N)CC=CC#CC(C)(C)C)CC1 2284089387 LWFLDZBUBHQTCO-DAWZGUTISA-N 275.480 4.772 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cccc(C(F)F)c1 2284098446 HMLPHAQTKJYBKC-OAHLLOKOSA-N 277.358 4.620 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)c(C)c1 2284098548 ILWTVJGNHRGAAS-KRWDZBQOSA-N 289.850 4.905 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC)c(C)c1C 2284531207 NAUYPVIJSCJNOC-QGZVFWFLSA-N 277.452 4.933 30 10 CJEE CC(C)(C)C#CC=CCNc1cc(C2CC2)ccc1F 2287303981 ZCTPJPOMLKPANS-UHFFFAOYSA-N 271.379 4.721 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@](C)(O)CCCCCCCC 2287371051 YFPWHUMOHMOFGJ-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCC[C@H](CC(C)C)C1 2287472154 HWHWVUBPMXFSOK-AEFFLSMTSA-N 280.452 4.659 30 10 CJEE C=CCCC(C)(C)CNc1cnc(C(F)(F)F)c(C)c1 2288170246 AGSLSUBDSKNGFM-UHFFFAOYSA-N 286.341 4.813 30 10 CJEE CCCCCCCC[C@H]1NC2(CO1)CC(C(C)(C)C)C2 2289989358 INEJNZPMCQHHML-PQUAAJSLSA-N 281.484 4.878 30 10 CJEE C=C1C[C@H]1C[C@@H](CCCCCCCCC)OCC(=O)O 2291034728 UZUPTELLZFOAJO-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H](C)CC)OCC(=O)O 2291804285 APJVRFQEKOGERT-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE C=CCCCC[C@@](C)(OCCC(=O)O)c1ccc(C)s1 2292432971 GJLVWJXMHOAJNT-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC[C@H](C(C)C)C1 2292793023 YKIQZJALYRFPPS-ROUUACIJSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1csc(C)c1C 2292794136 BHYHYXVQKFVLGT-KRWDZBQOSA-N 295.492 4.908 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CC[C@H](C(C)C)C1 2292802772 WFMHAQOOXSOUBO-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@]12CCC[C@@H]1C2 2293413641 NEWINULUWLLUTC-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(C#Cc2ccccc2Cl)CC1 2295234025 HKPAXMANBJWFPO-MAUKXSAKSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CC[C@H](C)[C@@H]1C 2295532601 YKJDEPWLSWGGCI-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cncn1C(C)C 2295597650 YCCAFQNHYFSAAJ-QGZVFWFLSA-N 279.472 4.779 30 10 CJEE C=CCCCCCC[C@](C)(O)C1(Cl)CCCC1 2302167215 UIONCOLLIFPMBY-AWEZNQCLSA-N 258.833 4.816 30 10 CJEE C=CCCC[C@H](O)c1cccc(SC(C)C)c1 2307556439 IOAAYEVRIYYPFB-HNNXBMFYSA-N 250.407 4.577 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1CC[C@@H]2C[C@H]12 2308151801 BZUCTTMEHSNCDV-WCXIOVBPSA-N 251.458 4.891 30 10 CJEE C#CC[C@@H](C)C[C@H](NC)c1ccc(Cl)c(Cl)c1C 2316941953 DTSXFNAWMRYROU-YGRLFVJLSA-N 284.230 4.612 30 10 CJEE CC(C)=CCC[C@H](C)Oc1ccc(C#N)cc1Cl 2319177463 CEFZJARSWUVWIM-LBPRGKRZSA-N 263.768 4.725 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1C[C@H]1CC)NCCC 2321102942 VNUPZNSPHWYXBV-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)CC(F)F)NCCC 2321109338 YFXVZOFVOQBUGU-OLZOCXBDSA-N 261.400 4.638 30 10 CJEE CC#CCCCC[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2332426474 YGRRRFAOCGDGNS-XLAORIBOSA-N 261.453 4.504 30 10 CJEE C=CCC(CC=C)OC(=O)[C@H]1CCCC(C)(C)CC1 2335109237 RVJAWINBURQDEP-AWEZNQCLSA-N 264.409 4.657 30 10 CJEE C[C@H](CC1CCC1)[C@@]1(C#N)CCCc2ccccc21 2335156745 PIDMPIHXASVLIE-KDOFPFPSSA-N 253.389 4.611 30 10 CJEE CNc1cccc(C#Cc2c(Cl)cc(F)cc2Cl)c1 2335291498 VCYYGANAYVVOKT-UHFFFAOYSA-N 294.156 4.574 30 10 CJEE CC(=CCN(CC#N)C1CCCC1)CCCC(C)C 2338445017 OMHMEAFWMWFIMQ-UHFFFAOYSA-N 262.441 4.527 30 10 CJEE C=CCC(CC=C)[C@](O)(CC)C1CCC(F)(F)CC1 2338732851 MRRYASGVEWMMDQ-MRXNPFEDSA-N 272.379 4.721 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1CCCC(F)(F)C1 2338740012 AZMQXJYSWMASSJ-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2CCCCCC2)C1=O 2338928635 BWECIGCOOLKRHP-QGZVFWFLSA-N 261.409 4.636 30 10 CJEE C#CC[C@H](C)C[C@H](CCC1=CCCCC1)NCCC 2340295376 DNTHBBUYYXJKJN-WMZOPIPTSA-N 261.453 4.685 30 10 CJEE N#CC1(COCCC2CCCCCCC2)CCCC1 2342273091 CCZHPSRBCILAFC-UHFFFAOYSA-N 263.425 4.838 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1C[C@H]2CCC[C@@H]2C1)NC 2344347070 YNVRZFARVYKCAQ-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(C(F)(F)F)c1 2344463615 FYAFZXSBLIUZKB-ZIAGYGMSSA-N 272.310 4.731 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](C[C@@H]1CCC[C@H]1C)NCC 2354024865 PXYIDJXMNXMIDQ-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE C[C@@](C#N)(C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 2354852697 YIBCQMCINSWDAN-OJLVUWQFSA-N 275.342 4.539 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2355296507 BHATVMINDQDJHZ-FLXSYLCISA-N 295.536 4.623 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1 2359094453 KCYJHCPCYRLJJI-RGUZKJPTSA-N 275.436 4.548 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CCC[C@@H]1CC2)OCCN 2360048290 HAWCDRHONNUMSI-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)SCc1cc([C@@H](C)NCC)ccc1OC 2360324997 UMDHSWQKLSMGNB-UONOGXRCSA-N 293.476 4.564 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1ccc(C#N)cc1 21797824 GXBSLQFNGOPZIQ-CQSZACIVSA-N 265.356 4.651 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3[nH]2)C1 37154990 NGUIPDPCTFMXFS-XJKCOSOUSA-N 299.443 4.764 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc3c(c2)CCC3)C1 37156448 QSQAQOMUZZEXDI-FDQGKXFDSA-N 285.456 4.986 30 10 CJEE CCCC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 37212130 IOVPROOCFBJXJY-GOSISDBHSA-N 264.372 4.902 30 10 CJEE C=CCSc1ccccc1NCc1ccc(F)cc1 37496209 UJTCTTLGHHKQOB-UHFFFAOYSA-N 273.376 4.716 30 10 CJEE C=CCCCCCCCCCC(=O)C(OCC)OCC 43504291 FXNOAYTUIMGPMV-UHFFFAOYSA-N 284.440 4.652 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(Cl)cc2C#N)cc1 52857998 FRYCQZHUXAHBRD-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2C#N)C1 68594689 VELYGQISRQJEQD-RISCZKNCSA-N 262.784 4.592 30 10 CJEE CCN[C@@H](C)c1cccc(SCC#Cc2ccccc2)c1 84125405 OKEXYXHYCYWOCW-INIZCTEOSA-N 295.451 4.501 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC1 86882426 NWIODJYOWZVCIY-DGCLKSJQSA-N 296.336 4.958 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897408 BMDMDTGUFAIRDG-OCCSQVGLSA-N 276.811 4.982 30 10 CJEE SCCCCCCOc1cccc(Cl)c1Cl 87080216 MSRCUCZPWAGLAQ-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE CC(C)(C#N)CCNc1c(Cl)cccc1C(F)(F)F 87591154 PICBHVNRUMWQQA-UHFFFAOYSA-N 290.716 4.711 30 10 CJEE N#Cc1ccc(NCc2ccc(C3CC3)cc2)cc1Cl 94518279 FYIPUEVOCLNTAT-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE Fc1ccc(OC[C@@H](CS)c2ccccc2)c(Cl)c1 94582200 ZVIUTQVVFOUFTH-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CCC#CC[C@H](C)c1ccc(OC)c(C(C)(C)C)c1 107613143 RJVAZXWZMFKWHL-AWEZNQCLSA-N 258.405 4.900 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1)NCCC 109721532 YVAGUNNZLGSLQU-SFHVURJKSA-N 261.453 4.958 30 10 CJEE CCCCCCC[C@H](O)c1cc2c(cc1Cl)OCCO2 109789340 FCHXZYJVJCOQAR-AWEZNQCLSA-N 298.810 4.505 30 10 CJEE CCCCCCCO[C@@H]1CC(C)(C)CC[C@@H]1NCCC 112847019 ISTVANZCOANKIS-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)C[C@@H](C)O2 115859959 AYFCIAHUIYMLBM-PBHICJAKSA-N 276.420 4.794 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CO[C@@H](C)C1 122734414 UNVMINCVGCQXRV-KSZLIROESA-N 298.515 4.554 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1COc2ccccc21 124759739 TWHUIFFHMPKJFJ-DLBZAZTESA-N 275.436 4.501 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](CCC)OC 126663453 SNFZGULXJKBSQY-CVEARBPZSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@@H]1CCCNC1 127077305 AJIDYTWJLFYRNP-HZPDHXFCSA-N 257.437 4.855 30 10 CJEE C=CC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 128813931 OEXWEWQNWHKORE-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H](C)OC 129144491 HGTHNVFEHRIEJP-CVEARBPZSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccncc1OC 134643832 HBIXRFONRBWNBI-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE CSc1cccc(Sc2cccc(C)c2)c1C#N 136993722 KSGOJZAYPPMLPH-UHFFFAOYSA-N 271.410 4.740 30 10 CJEE Cc1cc(Sc2ccc3ccccc3c2)c(C#N)c(C)n1 156822853 DFDJVEUPAULOLG-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE CCCCCCCC[C@H](CC1CCOCC1)NCC 162667562 SQULEVVYRQECSA-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)c2ccc(F)cc2O1 165458804 YMATWACKZRHQKC-QGZVFWFLSA-N 278.367 4.910 30 10 CJEE CCCCCCCCCCCCN1CC([C@@H](C)C(=O)O)C1 165803702 YTIYQNRRSFOKEF-MRXNPFEDSA-N 297.483 4.560 30 10 CJEE CCCCN(CC)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 213006314 WYVSLCIKVIJHRH-AWEZNQCLSA-N 285.218 4.680 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 218323656 CCBHJELYCHYJMH-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCCC[C@H](NN)C1=CCCCCC1 232923799 WFOIUBBWXVRLTA-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1CNC1CC1 236060251 XPFYYAJHOIHJQO-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE N#Cc1ccc(Sc2cccs2)c2ccccc12 236183975 CZNKYZWZDKDCLA-UHFFFAOYSA-N 267.378 4.924 30 10 CJEE C[C@@H]1O[C@H]1[C@H](C)Cc1c(Cl)ccc(Cl)c1Cl 253486527 XTTFIACEZACULM-LTMDPNIMSA-N 279.594 4.613 30 10 CJEE CCC(CC)c1ccc(OC)c(C2(C#N)CCC2)c1 260916699 YUOZZRWCAHZGSD-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE CCCCCCCCCn1ccc(CNC)c1CC 311951930 ZJBLFXCDBAASDO-UHFFFAOYSA-N 264.457 4.521 30 10 CJEE N#CCCc1csc(-c2ccc(F)c3ccccc23)n1 312528362 NYNIWVIRQBYQHS-UHFFFAOYSA-N 282.343 4.559 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1ccc(C(C)(C)C)cc1 317231361 YDTGLMSVTRADBS-KSSFIOAISA-N 258.405 4.532 30 10 CJEE C=C[C@H](C)C1(CNC(C)(C)C)CCCCCCC1 318146237 PLYGKGVVPURENO-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1cccc(Cl)c1F 320201038 QNFAWNNSJFIVTO-UMNHJUIQSA-N 253.748 4.768 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCOc3ccccc32)C1 380049093 BUSQUGLHYXBFET-IIDMSEBBSA-N 269.388 4.663 30 10 CJEE C=C(COCCC)[C@H](NCC)c1cc2sccc2s1 387632325 UPUQGQQKOUEWDH-HNNXBMFYSA-N 295.473 4.596 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1ccc2sccc2c1 387659598 MUKQEJUCSIMWJM-QGZVFWFLSA-N 289.444 4.533 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccnn1C(C)C 388649161 LYQOMSSUYRHZQN-OAHLLOKOSA-N 265.445 4.605 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC1CCCCC1 388931793 SREYIHVYHLHTBO-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE Cc1ccc(N[C@](C)(C#N)c2c(F)cccc2Cl)cc1 394271736 MTIJJJKLMSMFOH-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)CCC2CCCCC2)C1 395094590 DHKAVQPADFUWGQ-KBAYOESNSA-N 277.452 4.818 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@@H](C2CCCCC2)CS1 395155450 OFEAAZLQYYIPOA-GOEBONIOSA-N 296.524 4.987 30 10 CJEE CC(C)N(Cc1cccs1)C[C@H](C#N)C1CCCCC1 397143496 CVSMTVBOMLKVEA-INIZCTEOSA-N 290.476 4.679 30 10 CJEE CCC(=CC(=O)c1ccc(F)cc1C(F)(F)F)CC 400292937 XPIVBALFWPDKLP-UHFFFAOYSA-N 274.257 4.774 30 10 CJEE CCCCCCCCC[C@H](CCC[C@H]1CCOC1)NC 400978723 SXBUADCUZDCYRR-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](CC1(COC)CC1)NCC 401281399 IDDBUNBHJMCEEF-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE O=CC1(CCC(F)(F)Cl)CCCCCCC1 402766166 IBIWWVBQMNSQRM-UHFFFAOYSA-N 252.732 4.528 30 10 CJEE CC(C)(C#N)CSc1cc(Cl)ccc1Cl 405097133 BGWJDUJXUQDFMX-UHFFFAOYSA-N 260.189 4.635 30 10 CJEE C#CCCCCC[C@H](NC)[C@H](CCC)CC(C)C 686696034 TUHVABWCSSJSHY-SJORKVTESA-N 251.458 4.621 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccnn1CC(C)C 687056221 LRQHLSNSYTVUPI-MRXNPFEDSA-N 279.472 4.550 30 10 CJEE CCCCCCCCCN(C)C1(C(N)=S)CCCCC1 690353381 HPRFKVNMZULYMK-UHFFFAOYSA-N 298.540 4.658 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(C)c(F)c(C)c1 694955995 RGOPPHZJTBPQEU-INIZCTEOSA-N 275.411 4.533 30 10 CJEE CCC(F)(F)C(C)(C)CNc1cccc(SC)c1C#N 699859335 GUYDWNUJUQOSIH-UHFFFAOYSA-N 298.402 4.764 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCCOC2CCCCC2)C1 699945839 FYMANUUNGOYNII-WBVHZDCISA-N 263.425 4.836 30 10 CJEE CCC(CC)(CS)COc1cccc(Cl)c1C 702653223 HTWVMCDMDSVJPS-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE SCCCCCCN1CCC[C@H](C2CCCCC2)C1 708235961 NANKNHSDKAPXHY-KRWDZBQOSA-N 283.525 4.769 30 10 CJEE O=C(C1=CCCC1)c1c(Cl)cccc1C(F)(F)F 712530290 WYCKBIREVJEHQN-UHFFFAOYSA-N 274.669 4.652 30 10 CJEE C=C([C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)C(F)(F)F 714435882 GASZQXHDLDKPCE-XQLPTFJDSA-N 289.385 4.690 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC(C)(C)CO1)NCCC 717006507 WVGXSNKLTCSINT-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCc1nc(C(=O)OCC)c(C)s1 720997439 FJIUVYABZHEZCP-UHFFFAOYSA-N 297.464 4.921 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(F)c(C)cc2F)CC1 724442816 GJQDMMIKZRJRIR-CYBMUJFWSA-N 279.374 4.670 30 10 CJEE C=C1CCC(CNc2ccc(Cl)c(OC)c2)CC1 724543197 WMODHUKLETZLDZ-UHFFFAOYSA-N 265.784 4.507 30 10 CJEE CCCCCCCC/N=C1/N[C@@H](C2CCCC2)CCS1 725091386 YBADBNBSWQGAFS-MRXNPFEDSA-N 296.524 4.988 30 10 CJEE COc1ccc2oc(C(=O)/C=C\c3ccccc3)c(C)c2c1 729149073 CJJDQTBNQQLVHJ-NTMALXAHSA-N 292.334 4.646 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1cncnc1C)c1ccccc1 883326735 JUYMTUFMRBTATE-VQIMIIECSA-N 295.430 4.533 30 10 CJEE C=C1CCC(C(=O)N(C)Cc2ccc(C(C)C)cc2)CC1 1124847817 XCPLTWOUSXHBPY-UHFFFAOYSA-N 285.431 4.515 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)c1ccccc1F)c1ccccc1 1131134847 RCKUMNYBXGFTEP-KDOFPFPSSA-N 298.357 4.790 30 10 CJEE C=CCC1(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)CCC1 1141953439 QUYKINSFNGTYOT-INIZCTEOSA-N 289.463 4.550 30 10 CJEE C=C[C@@H](CC(=O)N(C)CCC1CCCCC1)c1ccccc1 1143004599 HVIHUGSVTBDPSC-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H](C)c1ccc(C)cc1 1204897988 AZBJHDSANILSJZ-IBGZPJMESA-N 293.454 4.829 30 10 CJEE C#CCCCCCCNc1ccc(OCC)c2cccnc12 1205253421 JQJKBRFRNXLCOA-UHFFFAOYSA-N 296.414 4.629 30 10 CJEE C#CCCCCCCN[C@H]1CC[C@H](c2ccc(F)cc2)C1 1205645876 SZFXVQCRNVRRAL-HKUYNNGSSA-N 287.422 4.635 30 10 CJEE C=CC[C@@H]1CCCN(C/C=C\c2c(C)cc(C)cc2C)C1 1206597875 LLJWWDSIPWZQSY-JNLAIUADSA-N 283.459 4.913 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(C2CC2)cc1F 1208510558 KASYAKWCLUWCJS-UHFFFAOYSA-N 290.382 4.523 30 10 CJEE C=CCCCCCCCCN1CCC[C@H](CC#N)C1 1209442754 DMXXPCGDNVQNPO-QGZVFWFLSA-N 262.441 4.529 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc2cnccc2c1 1210048975 SRPHOPDHVAGYEI-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCCCN1CC2(CCCCC2)[C@H]1c1ccccc1 1307827176 PAFGXLJZPWVUDB-GOSISDBHSA-N 269.432 4.960 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(OC)c(Cl)c(OC)c1 1308810508 WWFXTXHOFLGUKF-GFCCVEGCSA-N 297.826 4.904 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2ccc(CC)cc2)CCCCC1 1435754707 KHIMPMFEHBXEQD-MRXNPFEDSA-N 299.458 4.953 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(F)cc1OC(C)(C)C 1457995666 ZMNCIPLKTTXDMV-GFCCVEGCSA-N 293.382 4.544 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@@H]1CC 1461985239 DWGUWKLNAWBPQC-PMACEKPBSA-N 296.458 4.763 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(C)cc(Br)c2)C1 1462114126 FDTIDKQNYMLNKM-OCCSQVGLSA-N 294.236 4.914 30 10 CJEE C=CCC[C@H](C)Nc1ccc(COC)c(C(F)(F)F)c1 1462413343 LHRQNOLJXQOAEY-NSHDSACASA-N 287.325 4.618 30 10 CJEE C=C(CC)CN[C@H](c1ccc(F)cc1)C1CCCC1 1473341265 WDEAWOAHVFPIQG-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CCCC1(CN[C@@H](C)CCc2ccco2)CCCC1 1474625786 PSXYRNMLROYCRZ-INIZCTEOSA-N 275.436 4.717 30 10 CJEE C=CCC1(CNC(=O)c2cc(C)cc(Cl)c2)CCCC1 1521315684 BDYJHQINALHHRB-UHFFFAOYSA-N 291.822 4.515 30 10 CJEE C=C[C@H](CC(=O)NCC[C@@H]1CCCC[C@H]1C)c1ccccc1 1529530821 RCKYSTQPLMJPKB-KURKYZTESA-N 299.458 4.679 30 10 CJEE C#CC(C)(C)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 1535939116 QCZQJFZIEOSQKN-UHFFFAOYSA-N 293.794 4.598 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)C[C@H](CC)c1ccccc1 1539100912 XIEKYUWYRIMOIG-SJORKVTESA-N 287.447 4.631 30 10 CJEE C=CC(C)(C)CCCNc1nc(C2CCCC2)ns1 1559272882 PMDDBLXXNFYRIE-UHFFFAOYSA-N 279.453 4.600 30 10 CJEE C=C(C)CCN(CC)[C@@H](C)c1cc2ccccc2o1 1559499202 LRXSMIFGHJWLRR-AWEZNQCLSA-N 257.377 4.782 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc(O[C@H](C)CC)n1 1560977467 GVLNMWGGTTYGMW-HUUCEWRRSA-N 276.424 4.806 30 10 CJEE CC(C)Cc1ccc(C#Cc2cc(F)ccc2F)cc1 1614826915 GFLZPWNATASMFR-UHFFFAOYSA-N 270.322 4.563 30 10 CJEE C=CC[C@@H]1N(CCO[C@H]2CCCC[C@@H]2C)CCCC1(C)C 1617603796 GONRMVSXOFYUAM-BZSNNMDCSA-N 293.495 4.648 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(Nc2ccccc2)cc1 1625006949 WYSXJHNVZVXMJM-IBGZPJMESA-N 294.398 4.971 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1c1cccc(C)c1 1641568925 KVWUWWOVFNKHJN-LJQANCHMSA-N 269.432 4.716 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(-c2ccccc2C)ns1 1650909427 YIKQBVQRTMROOZ-CYBMUJFWSA-N 287.432 4.670 30 10 CJEE C=CC(C)(C)CCNc1nc(-c2ccccc2C)ns1 1651274601 UUCWBOBPDLSXBR-UHFFFAOYSA-N 287.432 4.528 30 10 CJEE C=C(CC)CNC(C)(C)c1ccc(OCC(C)C)cc1 1653964730 LPIDIYCNVAYRJZ-UHFFFAOYSA-N 275.436 4.512 30 10 CJEE CCCCCCCCCN1CCc2ccsc2C1 1656372814 HIKAZYDSCCQMEC-UHFFFAOYSA-N 265.466 4.857 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(SCC)c1 1657933704 LVOPCBGGBLHZMO-UHFFFAOYSA-N 277.477 4.881 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc(-c2cnco2)c1 1659182518 YHZADVLZCFYNHF-OAHLLOKOSA-N 270.376 4.888 30 10 CJEE C=CCCCCCCN[C@@H](C)Cc1ccccc1Cl 1664654211 UNWGJFRSJBTCQK-HNNXBMFYSA-N 279.855 4.997 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1664788484 FAWSWWUMDWGXDK-ZBFHGGJFSA-N 298.430 4.892 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC[C@H](CC=C)C1 1673405566 BBHHQKQDLLXHAN-KRWDZBQOSA-N 292.467 4.511 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1CCC 1677010652 URUUPLCSSMFPOP-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CC[C@H]1C1CC1 1876569979 LRIGVPVNRBZWLT-DLBZAZTESA-N 283.525 4.767 30 10 CJEE CCC1CCC(C[C@](C)(C=O)c2ccccc2)CC1 1878267161 RLPVOUSGJBLPMU-LEOMRAHMSA-N 258.405 4.750 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2F)c(C)cc1Cl 1878912704 UWRKAYFSZSVDBK-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE C#CC[C@H](CN[C@@H](C)c1cccc(Cl)c1Cl)C1CC1 1887367131 ZNGFUZHVTHATPV-WCQYABFASA-N 296.241 4.694 30 10 CJEE C#CC[C@@H](CC(=O)C1CCC(CCC)CC1)C1CC1 1887399269 ZZPVKDNEQMWEPU-PREGVCBESA-N 260.421 4.602 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H](C)CC(C)C 1888673903 HHEVDKYEJLFBLQ-CRAIPNDOSA-N 259.437 4.750 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cc(Cl)c(C(F)F)s1 1903509721 OOASCMQKWNSRLZ-RCOVLWMOSA-N 266.740 4.585 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cn(CC)c(C)n1 1913120061 UJUZYKPHSRVNON-MRXNPFEDSA-N 279.472 4.613 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C1C[C@@H](C)C[C@H](C)C1 1919389867 KPHLSUMSKOSLDE-MPGHIAIKSA-N 282.468 4.739 30 10 CJEE CCCCCCCC(=O)[C@](C)(O)c1ccc(Cl)s1 1919424545 XGWJUQZCJHPHKY-AWEZNQCLSA-N 288.840 4.539 30 10 CJEE C=CCOc1ccccc1[C@H](O)[C@H]1CCC[C@H](CC)C1 1920027723 IPORAPKQCYPKJM-RLFYNMQTSA-N 274.404 4.501 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1cc(C)ccc1Cl 1920351311 URGUOTQGQXVMEE-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NCCC)C(C)(C)CC 1920920526 QMFTZKIMCFMATG-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE CCC1CC(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 1921277553 WHYRHVXHTLBESE-QEWOUOOISA-N 296.197 4.606 30 10 CJEE SC[C@H](CSCC1CCCCC1)C1CCC1 1936790043 QLWHOGXZAZONNN-CQSZACIVSA-N 258.496 4.646 30 10 CJEE CCCCCCC[C@@H](O)c1c(Cl)cncc1Cl 1944752268 JFOZHSZKYNSFBP-GFCCVEGCSA-N 276.207 4.782 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1ccccc1Cl 1947379554 AEIPJYAGXRLGTA-QWHCGFSZSA-N 251.801 4.735 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCSC1(C)C 1948925167 YFEDZZCNZQIYGD-KBPBESRZSA-N 257.487 4.596 30 10 CJEE CC1(C)C2CCC1(CNc1ccc(Cl)cc1C#N)CC2 1970837812 UKIBDIFKTYIRSJ-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE CC#CCCCCC(=O)c1cc(C)ccc1Br 2019540675 JKNDAYNODOEVKQ-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC[C@@H]2CCCC2(F)F)C1 2027650481 LURLJHLVGZNJTK-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCCCCCC[C@H]1Nc2cc(Cl)c(F)cc2O1 2028025389 VWCVCBVJHDHNFR-AWEZNQCLSA-N 271.763 4.970 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CCCSC1 2029420112 BGSMPOMQOYCKFY-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1SCC[C@H]1C 2033378739 LMPLLPQHHDFLES-OWCLPIDISA-N 269.498 4.633 30 10 CJEE CC(C)C[C@H](C)[C@@](C)(C#N)Nc1cccc(Cl)c1 2036375407 OYASFLSTKYVUAW-SWLSCSKDSA-N 264.800 4.716 30 10 CJEE C=CCCCCC[C@H]1CCC(C)(C)[C@@H](NCC)C1 2037870947 MXEWJHUPELFMMQ-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](NCC)c1cscc1OC 2038682149 PIJVGWFTFARILJ-AWEZNQCLSA-N 269.454 4.768 30 10 CJEE CCCCCCCC[C@H](NC)c1cscc1OC 2038689488 YAEBHWBLGKSGAL-AWEZNQCLSA-N 269.454 4.768 30 10 CJEE CCC[C@H](CS)CN(C)[C@@H]1CCC[C@@H](CC)CC1 2041528767 AEFWGMFNKGYWBW-OWCLPIDISA-N 271.514 4.623 30 10 CJEE CCCCCCCCCC[C@H]1CCC(F)(F)[C@@H]1O 2041940067 AJLLSZVDQHGTDF-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCCC[C@]1(O)C[C@@H]2CC=CC[C@@H]2C1 2042339588 PCCSHNXFOTYNCZ-BJWYYQGGSA-N 250.426 4.844 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]12C[C@H](C)[C@H]1C2 2042924173 AHPWCPABQYKNBR-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE O=C[C@]1(Cc2ccc(Cl)cc2Cl)CCC12CCC2 2047928579 KYLXIPREPPCZRV-OAHLLOKOSA-N 283.198 4.685 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)c2ccc(Cl)s2)C1 2049512547 UHXRWBGPEBRHEZ-JSGCOSHPSA-N 283.824 4.545 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC(F)(F)C2)CCCC12CC2 2053366668 SOHFWIIXWLGDJH-JSGCOSHPSA-N 253.336 4.676 30 10 CJEE C=CCCC[C@]1(CNCCC)CCCCC1(C)C 2053400035 IHUQTFFFUJTMTP-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE 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UHZPXIMYDQPGII-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE SCC1(COc2cccc3ccccc23)CCCC1 94583029 IGTZOYDYJUZBJV-UHFFFAOYSA-N 272.413 4.709 30 10 CJEE CC(C)CCN(C[C@@]1(C=O)CCC[C@H](C)C1)C1CCCC1 94851961 DHDGKEXPGHOOMD-PKOBYXMFSA-N 293.495 4.673 30 10 CJEE CC(C)CCN(C[C@]1(C=O)CCC[C@@H](C)C1)C1CCCC1 94851962 DHDGKEXPGHOOMD-MJGOQNOKSA-N 293.495 4.673 30 10 CJEE CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3CC#N)cc1 96861488 AKPLEYILHZEXRH-CQSZACIVSA-N 293.414 4.503 30 10 CJEE C=C(C)[C@H](NCCC)c1cc2cc(F)ccc2s1 97283703 SRNPDXZKROWBHY-HNNXBMFYSA-N 263.381 4.657 30 10 CJEE Cc1ccc(/C=C/C=C\C(=O)c2ccc(C)cc2)cc1 103044222 QOIHFTSYJKTGTG-UZNMPDEFSA-N 262.352 4.756 30 10 CJEE CCOc1cc(C)c(Cl)c(C)c1[C@@H](C)CCC#N 107623666 WYKSZBNAWAOZJB-JTQLQIEISA-N 265.784 4.763 30 10 CJEE CCCCCCCCCN[C@@H](C)c1ccc(C)o1 110164869 PDWHZXMPWBCLSF-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCCCN1C 110167585 ZJRXCOLMDCDCJF-IBGZPJMESA-N 296.543 4.981 30 10 CJEE N#Cc1c(Cl)cccc1NC12CC3CC(CC(C3)C1)C2 110251178 VNGMILJCAHKUIQ-UHFFFAOYSA-N 286.806 4.592 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccccc2C)C1 110263478 PAIDZCDOTGIQIT-ZHALLVOQSA-N 284.447 4.535 30 10 CJEE CCCCCCCOc1ccc(N)c2ccccc12 111238946 XCZRNXIIHBZONE-UHFFFAOYSA-N 257.377 4.771 30 10 CJEE CCCCCCCCCCN1C[C@H](CCC)NCC[C@@H]1C 114078886 SPVGGQQRMQITNS-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H]2CC[C@@H]1C2 114640872 NCFRWASKEFUMCR-BBWFWOEESA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccc(C)o1 115062973 ZYJKKPMCOOCJBE-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1 125730196 QXPGIIHTCKLYCU-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC1(C)CC(=O)C=C(c2cc3cccc(Cl)c3o2)C1 129054997 ACORBHCWMRIYAO-UHFFFAOYSA-N 274.747 4.859 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(C(F)F)cc2)CC1 131714989 DRNUXQUFIWSNGP-YAJUMTOWSA-N 293.357 4.768 30 10 CJEE CCCCCCCCCCn1nc(CC)c(N)c1CC 131839070 HEWGOPSMJNIQTR-UHFFFAOYSA-N 279.472 4.731 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CCCc2sccc21 135357092 DWALNGNOQLZNJG-UKRRQHHQSA-N 266.450 4.889 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(N(C)C)cc1 140419082 LGSPUQWVMBBRDQ-SFHVURJKSA-N 276.468 4.764 30 10 CJEE N#CC1([C@@H](O)c2c(F)cccc2Cl)CCCCCCC1 156802639 CDKRWIRDXUDNJL-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE CCCCCCCCC[C@H](CC(CC)CC)NN 160563717 NUWIHWSJNSJUGJ-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)cc2F)c2ccccc21 163809134 CQHSIMJUUYCTJU-SJCJKPOMSA-N 280.346 4.748 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(Cl)cc1OC 167715756 JEPDKNNKDRLTFD-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE C=CCC[C@H](NCCC)c1cc2ccccc2s1 167817713 RSZXLPVZLRMOLI-AWEZNQCLSA-N 259.418 4.908 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CC[C@H]1C2 191440942 QGTMJTMKZUXWJE-HOCLYGCPSA-N 298.430 4.555 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(F)c(Cl)c2)C1 220673717 GFFMWIJWEHGZCW-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(C(F)(F)F)c(F)c1 228421888 QRYFRMUZPYYJSQ-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C=CCC[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 228817963 UXZCWFSKQGCNHW-LBPRGKRZSA-N 272.417 4.885 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccccc1OC(F)F 229758846 UWFGCJDUHDOKTG-AWEZNQCLSA-N 283.362 4.685 30 10 CJEE CCCCCCCCCC[C@H]1COCC[C@H]1NCCC 232925260 IOWRNEVVENNASE-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)c(F)c1 232965298 FNMXQFIATOCZDS-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1CCCCS1 233163956 WPYIUHZNROPDFQ-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE Cc1ccccc1SCC(=O)C1=CCCCCCC1 235786518 MWCFBSBCSFBRMP-UHFFFAOYSA-N 274.429 4.937 30 10 CJEE C=CCCCCC[C@@H](N)CSc1cccc(Cl)c1 236314748 YFKNQDJZBUPJJI-CQSZACIVSA-N 283.868 4.896 30 10 CJEE C=CCCCCC[C@H](O)c1ccccc1C(F)(F)F 236538406 BSLQZDBOYOEYJQ-AWEZNQCLSA-N 272.310 4.875 30 10 CJEE CC(C)(C#N)C[C@@H]1Cc2cc(C(F)(F)F)ccc2S1 260253309 KRJKSYOPRMBJDP-NSHDSACASA-N 285.334 4.662 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1c(F)cccc1Cl 308058239 SXDMAUIKKOZEMD-NWDGAFQWSA-N 295.785 4.728 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 312108859 LJGLYZGBUJBFRD-JFIYKMOQSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 316615995 ALGLKQIESAJISM-ALYAQQCSSA-N 250.426 4.844 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CCCCC2(F)F)C1 316946938 HOIVPOFEVCRCPU-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(OC(F)F)cc1 380804143 YYVOXJKVAVYOJF-LBPRGKRZSA-N 283.362 4.541 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)Cc1sccc1C 383701028 GCFGENQOIFTJLB-QGZVFWFLSA-N 296.524 4.566 30 10 CJEE Cc1c(C2=CC(=O)C[C@H](C)C2)ccc2ccccc12 384677510 FMABYIBBBSLEHY-GFCCVEGCSA-N 250.341 4.531 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(F)c(C(F)(F)F)c1 398055375 DKNZLWNYHOMDDI-LLVKDONJSA-N 289.316 4.679 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cc(F)c(C)cc1F 398173634 MAYJWOSHWZKOFS-CHWSQXEVSA-N 267.363 4.669 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)cc1Cl 401433574 YXOOAQZBJOSNQT-UONOGXRCSA-N 276.811 4.840 30 10 CJEE CCCCCCC[C@H](CCc1c(F)cccc1F)NC 402148713 DPFSJCFZKQJHJI-CQSZACIVSA-N 283.406 4.846 30 10 CJEE C=CCCC[C@H](O)c1cccc(Oc2ccccc2)c1 404272631 BKGQVUMWHFQBRZ-SFHVURJKSA-N 268.356 4.869 30 10 CJEE C[C@](C#N)(CC(F)(F)c1ccccc1)c1ccccc1 405583039 GWEAVNSNAUTJBV-MRXNPFEDSA-N 271.310 4.650 30 10 CJEE N#CCc1cccnc1-c1ccc(Cl)c(Cl)c1Cl 514263556 GISIKOLIBFQPAX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C[C@H](CC1CCCCC1)Nc1cccc(CC#N)c1 689802477 RDBJWYLGEYPPNY-CQSZACIVSA-N 256.393 4.523 30 10 CJEE C[C@H](CC1CCCC1)Nc1ccc(C(C)(C)C#N)cc1 689864085 KVPZFDPHDZKAEV-CQSZACIVSA-N 270.420 4.868 30 10 CJEE CC[C@@H](C)c1ccc(Oc2ncc(C#N)cc2C)cc1 690366887 VDXBMMYEVKERIZ-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@H](CC)C1 692275918 RIODTUSEQUPCIS-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](NCC)[C@]12CCCC[C@@H]1C2 693186628 VLIJJQIQRJPZFU-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cc1C 695178492 MOBOVZVPHXTCJI-TZMCWYRMSA-N 264.800 4.590 30 10 CJEE N#C[C@H]1CCCCC[C@H]1NCc1c(Cl)cccc1Cl 696977174 YTIUNQPHHWOAFC-IAQYHMDHSA-N 297.229 4.555 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3ccc(C)cc3)C[C@@H](C1)C2 697307685 XGMVKLOBRXKJAL-IAZCMVOBSA-N 269.432 4.781 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCc4sccc43)C[C@@H](C1)C2 697335004 YMRIMVPYWIZMBT-MYSGWJLTSA-N 287.472 4.850 30 10 CJEE CCC[C@H](CS)CN(C)[C@H]1CCCC(C)(C)CC1 697827875 KCYWPZKJPCTGOT-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1CCCN1C 700197969 YIDBDFHBRPBAMM-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cccnn1 701793354 CKNJVJONWIALHS-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1nc(Cl)c(C#N)s1 703772828 WEFGLIQYAKGTKR-VWYCJHECSA-N 297.855 4.541 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCSc2c(F)cccc21 703995406 FFIRWPQOBIFKHZ-HNNXBMFYSA-N 293.451 4.945 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1(N)CCCC1 704422366 VAIIIBHQAGRBAG-QGZVFWFLSA-N 283.500 4.930 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccsc1Cl 710929730 TUVDGRFSAVKEAL-LLVKDONJSA-N 271.857 4.524 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](C)[C@H]1CCCCO1 711849127 HXOBCOXRHORADC-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C[C@H](CC1CCCC1)/N=C1/N[C@H](C2CCCCC2)CS1 712600480 XFDVUPUYZZOQGD-CJNGLKHVSA-N 294.508 4.597 30 10 CJEE C[C@@H](CCC1CC1)/N=C1/NC2(CCCCCCC2)CS1 713187882 NEVIYBDEFYCXEM-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)Nc1cc(Cl)c(C)cc1Br 715039237 LYAUOZYLJNRJCH-VIFPVBQESA-N 288.616 4.787 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCCCCCCCCC)NN 715712888 AYWSHKNOBOQVBQ-IAGOWNOFSA-N 268.489 4.951 30 10 CJEE CCCCCCCCCC/N=C1/N[C@@H](C2CCC2)CS1 717597569 SBQOQNLCOKIKIV-MRXNPFEDSA-N 296.524 4.988 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)CC1 718627339 QCXJWXWJKUHYNL-XJKSGUPXSA-N 274.383 4.858 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1cc(F)cc(C#N)c1 718627794 RRRLWQOMPQKCQO-JKSUJKDBSA-N 274.383 4.714 30 10 CJEE Cc1cc(C)c(CNc2ccc(C#N)c(Cl)c2)s1 719448710 UBSSSMOCTQOSDX-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCC1(CC)CCCN1CC1(CS)CCCCCC1 721994145 KKAKXEPJLDRIFF-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE C=C1CCC(Cn2c(S)nc3cc(F)c(C)cc32)CC1 724464640 OYBIJHDTVBBRCR-UHFFFAOYSA-N 290.407 4.519 30 10 CJEE C=C1CCC(COc2ccc(Cl)cc2[C@H](C)O)CC1 724547607 QQQVUTICQIZQOH-LBPRGKRZSA-N 280.795 4.519 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2C(C)(C)C2(C)C)CC1 724619087 SILZERZWEKOKLM-OAHLLOKOSA-N 263.469 4.783 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1nccs1)c1ccccc1 883326918 MSGFITWMNYVFSE-HOCLYGCPSA-N 286.444 4.891 30 10 CJEE Clc1ccc(-n2cccc2C=Nc2ccccc2)cc1 1084206903 DXQNLZMZRMEFDM-UHFFFAOYSA-N 280.758 4.881 30 10 CJEE CCC[C@H](C)/C(=N/C)Nc1ccc(Cl)c(C)c1 1088738439 YWRYOOUUJRAPAB-JTQLQIEISA-N 252.789 4.525 30 10 CJEE C=CCC1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCC1 1131251434 JWQQRBYTPWNEKO-UHFFFAOYSA-N 299.414 4.653 30 10 CJEE C=CCCCCN[C@@H]1CCc2cccc3cccc1c23 1176332798 BXUAFUKCPHODQQ-GOSISDBHSA-N 265.400 4.773 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cccc(C(C)(F)F)c2)C1 1180936376 VQWQBNJMIJTMCX-SWLSCSKDSA-N 265.347 4.955 30 10 CJEE C=C1CCC(CNC(=O)Nc2cccc(C3CCC3)c2)CC1 1205742495 WDTLQQBEZABWRU-UHFFFAOYSA-N 298.430 4.822 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(C(C)C)cc1 1214153503 SMPIIQDVXNJXHH-UHFFFAOYSA-N 274.408 4.534 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC[C@@H]2C(C)C)c1 1220335321 RQLMAZPFFWNJJH-QGZVFWFLSA-N 286.419 4.762 30 10 CJEE C=CCCCCCCNC(=O)N1CCC(C)(C(C)C)CC1 1228040628 KMYKONHCMBALDN-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=C1CCC(C(=O)N2CCC(C3CCCCC3)CC2)CC1 1278435554 CZIAVDDLPDKKMZ-UHFFFAOYSA-N 289.463 4.552 30 10 CJEE C=CCN(C[C@H]1CCC[C@@H](CC)C1)c1ccccc1 1308696361 LQMSOUGRHMVVBA-SJORKVTESA-N 257.421 4.895 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CC(C)(C)CC[C@@H]3C)cc21 1308959553 RJKODZHVWOXPPP-WMLDXEAASA-N 297.446 4.849 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H](C)CCC=C(C)C 1312729563 VIMBZBODHRYQQP-MRXNPFEDSA-N 280.456 4.509 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1357136437 GXVUNJJBXMNODF-CRAIPNDOSA-N 287.447 4.801 30 10 CJEE C=CCCCN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C 1460820398 YSMNUTSTZYFBAR-INIZCTEOSA-N 277.839 4.874 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 1477187862 WPATYJLCOIFTMM-QILLFSRXSA-N 298.430 4.810 30 10 CJEE C=C(C)CCC(=O)N(C1CC1)[C@@H](C)c1ccccc1Cl 1524921618 CIADSJIQDBHCKR-ZDUSSCGKSA-N 291.822 4.748 30 10 CJEE C=CC(C)(C)CNC(=O)c1sccc1-c1ccc(C)cc1 1525708206 WNGDGXUYVDKTIE-UHFFFAOYSA-N 299.439 4.666 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](CC)c1cccc(Cl)c1 1532994690 YUESHZQQDPQQKG-AWEZNQCLSA-N 279.811 4.510 30 10 CJEE C=CCC(C)(C)CNC(=O)C1(c2cccc(C)c2)CCCC1 1534190434 UYFWUYRKDZFCSZ-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@H](C)CCC)c1ccccc1 1536282833 FRSSCRZBRGUXGQ-NVXWUHKLSA-N 273.420 4.636 30 10 CJEE C=CCCCC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1538115000 UENOOHOJTRXHRB-KRWDZBQOSA-N 285.431 4.563 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H](C)CC1CCC1)c1ccccc1 1543439688 KMVQDZKJDILFCC-VQIMIIECSA-N 299.458 4.821 30 10 CJEE C=CCC[C@@H](NCc1ccc(C)c(F)c1)c1ccccc1 1559695516 AOADMDPUSFNNNO-LJQANCHMSA-N 283.390 4.931 30 10 CJEE C=CCC[C@H](NCc1ccc(F)c(F)c1)c1ccccc1 1559696494 ZCYDLOQNFVAMTP-SFHVURJKSA-N 287.353 4.762 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 1583037560 NGPDHYBPTKLTIC-SXSDINLZSA-N 297.423 4.585 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)CC1 1587759931 QNDLDQVMGQHBNO-GOSISDBHSA-N 285.431 4.555 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](CC)C(C)(C)C)c1ccccc1 1617557285 RNQLXNILTXAVGS-CVEARBPZSA-N 274.404 4.919 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)CCCCC)CCCC1 1617816555 NQBXRQOAMZNJIN-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE Cc1c(C#N)cccc1NCCC1CCCCCC1 1621242484 BUOSQZFFIBGMSS-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C=C1CCC(CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 1621518046 VJIVCNNFEZRGNE-RBUKOAKNSA-N 299.458 4.569 30 10 CJEE C=CCN(CCc1ccccc1)[C@@H]1CCc2ccc(F)cc21 1644482264 DVRDQHPNYNUHIY-HXUWFJFHSA-N 295.401 4.544 30 10 CJEE C=CC(C)(C)CCCNc1ccnc(-c2ccccc2)n1 1652197841 HNVMTGVYDFTYOR-UHFFFAOYSA-N 281.403 4.548 30 10 CJEE C=CCC1(NCc2ccc(F)c3ccccc23)CCCC1 1652824821 NGJKCPZRZVGDCB-UHFFFAOYSA-N 283.390 4.957 30 10 CJEE C=CCCCCCN(C)[C@]1(c2ccccc2)CCCCC1=O 1654169520 QVDHDWCBHVXWIJ-FQEVSTJZSA-N 299.458 4.703 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@H](C)C2)cc1Cl 1656035998 QUYDHAXSBYLQLN-ZFWWWQNUSA-N 293.838 4.573 30 10 CJEE C=CCCC1(CN[C@H]2CC[C@H](CC=C)C2)CCCC1 1656622694 MDIPQCSCKZQUIY-IRXDYDNUSA-N 261.453 4.847 30 10 CJEE C#CCCCCCCN(CC(C)C)CC(C)(C)C 1657805070 OSSFPQYURRMKFX-UHFFFAOYSA-N 251.458 4.574 30 10 CJEE C=CCCCCC[C@H](C)NCCc1ccc(F)c(F)c1F 1659190989 RDBWFNCKBKAEHB-ZDUSSCGKSA-N 299.380 4.761 30 10 CJEE C=C1CCC(CNCc2ccccc2N2CCCCC2)CC1 1663224073 VKDNABOFHGXRRD-UHFFFAOYSA-N 298.474 4.513 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1ccccc1SCC 1665313014 UBNBRKHDNDSGDW-OAHLLOKOSA-N 291.504 4.922 30 10 CJEE C=CCCC[C@@H](C)NC(=O)NCC1(CC(C)C)CCCC1 1680347868 VYXIPOMPYYXWLU-MRXNPFEDSA-N 294.483 4.637 30 10 CJEE C=CCCN(C)C(=O)N[C@@H](CC)c1cccc2ccccc12 1684174293 CZDSIGRKPYVGHF-SFHVURJKSA-N 296.414 4.508 30 10 CJEE C=CCN(C(=O)c1ccccc1)C1CCC(C(C)(C)C)CC1 1860017633 MQNTTXNXYKZCPT-UHFFFAOYSA-N 299.458 4.920 30 10 CJEE C=CCN(CC=C)/N=N/c1cc(Cl)ccc1Cl 1860483174 HAPMQCIVNCENAW-FOCLMDBBSA-N 270.163 4.666 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1 1879647914 REEKTZCHUJWTNW-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]1c1ccccc1 1883327349 CVWWYJRLPYUYLP-ZWKOTPCHSA-N 259.437 4.835 30 10 CJEE C=CCC(CC=C)Nc1cccc(Br)c1C 1900996636 KWXFRUUYVHFURR-UHFFFAOYSA-N 280.209 4.690 30 10 CJEE CCN(c1cccc(Cl)c1C#N)[C@@H]1CCCC1(C)C 1910877862 GLLNADXXQWHYTF-OAHLLOKOSA-N 276.811 4.617 30 10 CJEE CCCCCCCC[C@@H](NC)C(F)(F)C1(OC)CCC1 1912515494 BICVUXGQDBGONR-CQSZACIVSA-N 291.426 4.529 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1917539303 CJGMPOLOHJIIMD-CJNLHWCBSA-N 264.453 4.780 30 10 CJEE C=CCCC[C@H](NCCC)[C@@](C)(O)CCCCCCC 1920915413 ANWGLTYRDHNJSH-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](O)CC(CC)CC 1926144587 LSTNNWZFOAMOIY-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=CCC[C@H](C)Cc1ccc(C)c(Br)c1 1958091530 QDSDGDFEOUPSFO-NSHDSACASA-N 267.210 4.902 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CNc1cc(Cl)ccc1C#N 1971809458 APFGTAJPUWKFCZ-CORIIIEPSA-N 288.822 4.696 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@@H](CS)CC2CC2)C1 1980507406 XHXZUFRMRDNAJV-MRVWCRGKSA-N 258.496 4.644 30 10 CJEE CCCCCCCCN(C)c1nc(Cl)cs1 1991243308 FUQPBPZEHGRLAG-UHFFFAOYSA-N 260.834 4.593 30 10 CJEE C=CCCC(C)(C)Nc1c(N)ccc(Cl)c1Cl 1997360540 IZIBMWBLLDOQQD-UHFFFAOYSA-N 273.207 4.732 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2snc(Cl)c2Cl)CC1 2010783982 MFQRRPQSLXCMQA-SSDOTTSWSA-N 290.215 4.769 30 10 CJEE CC1(C)C[C@H]1CCOCC1(CS)CCCCCC1 2032428591 ACLKYORAFKSGJL-CQSZACIVSA-N 270.482 4.710 30 10 CJEE CCCCCCCC[C@H](O)C1C[C@H]2[C@H](C1)C2(C)C 2032607848 PBCUEVUCZVPYQQ-JYJNAYRXSA-N 252.442 4.780 30 10 CJEE CCC[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1Cl 2035432924 ZGBJAPLEENQWHH-JSGCOSHPSA-N 262.784 4.592 30 10 CJEE CCC(=N[S@@](=O)C(C)(C)C)C1CCC(C)(C)CC1 2040650487 JUJWMEHVOJQICG-SFHVURJKSA-N 271.470 4.516 30 10 CJEE CCC[C@@](C)(C#N)Cc1ccc(C(F)(F)F)cc1 2045992001 FXKGVBSENJHFCT-CYBMUJFWSA-N 255.283 4.578 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCCC1(F)F 2047864929 HWDPMBZMTNWJES-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(F)c(F)cc1Cl 2049593173 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C[C@H](N[C@H](C)CC(C)(C)C#N)C1CCC(C)(C)CC1 2102241210 YPNYFSRWXCNGMK-KGLIPLIRSA-N 264.457 4.509 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1csc2c1CCCC2 2102473975 ZDSXIVNYTSWZMH-BBRMVZONSA-N 275.461 4.634 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CC[C@@H](C)O1 2104798634 OARQOEXICWBJPD-IXDOHACOSA-N 270.457 4.836 30 10 CJEE CCC1(O[C@@H]2CCCC(C)(C)C2)CCC(=NO)CC1 2107611345 YCSQKLISQWQRAW-IURRXHLWSA-N 267.413 4.525 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(F)cc(C(F)(F)F)c1 2107737407 FZGUGICESYVQSG-VIFPVBQESA-N 274.257 4.630 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1ccc(F)c(Cl)c1F 2107834413 HGILSRZGGXIIRC-UHFFFAOYSA-N 292.659 4.547 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)sc1C 2107955816 USXRETPGEQARAR-KRWDZBQOSA-N 277.477 4.989 30 10 CJEE CCC[C@@](C)(C#N)[C@](O)(CC)C1CCC(C)(C)CC1 2108208107 UPKOFDBXKNDQTF-IRXDYDNUSA-N 265.441 4.674 30 10 CJEE C=C1CC(CNCCC)(CC2[C@@H]3CCCCC[C@@H]23)C1 2111081664 SZOFAJIKURLKNR-HZPDHXFCSA-N 261.453 4.539 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](C)Nc2ccc(C#N)cc2Cl)C1 2112270419 ZLQXKPNYEQOOTJ-BZPMIXESSA-N 276.811 4.838 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H](C)C1 2112270420 ZLQXKPNYEQOOTJ-DYEKYZERSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1SC(=NC2CCCCCCCC2)N[C@@H]1CC 2112407632 STGQAEVGAWSFNM-CABCVRRESA-N 282.497 4.739 30 10 CJEE CCN[C@@H](CC#CC1CC1)C1(C)CCCCCCC1 2115978609 CASAQCIZYCSWSH-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@@H]1CNC 2119716336 YTUXUZOVEVHWCG-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCOC[C@H]1CCN[C@H]1CC 2119735963 IERNNBFEOOBFII-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCNc1cc(F)c(F)cc1OC 2119977226 FCJVAADNTPMKMI-UHFFFAOYSA-N 271.351 4.746 30 10 CJEE C=CCCCC[C@H](NCCC)C1CC(C2CCC2)C1 2123081636 YQRSOWNVIRNQIX-ABHNRTSZSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CCC1(C)CC1 2123192042 UDEGFRVRUMGFTG-HNNXBMFYSA-N 268.441 4.637 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CS[C@@H](C)[C@@H](C)S2)CC1 2125203074 HUPIPMIWKPSJIS-JLNYLFASSA-N 298.517 4.564 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2CCCC(F)(F)C2)C1 2125726119 ARHNCWNCTOVOOL-HUUCEWRRSA-N 271.395 4.536 30 10 CJEE C=C[C@H](C)C[C@H](CC1C[C@@H]2CCC[C@H]2C1)NCCC 2127026531 UZMDUEQOJDJSPT-LEUOFYLZSA-N 263.469 4.783 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@H]2CCCCCC[C@@H]21 2138953831 CZHPLZIMLAOFMV-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCC1(C)C 2138957171 SQGMLZZZMKHCNR-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1ncc(Cl)s1 2138993572 JYCXJECOOITSCQ-CYBMUJFWSA-N 298.883 4.811 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@H]1CC12CCCCC2 2139004505 ZPBNPCHAXKBYMO-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCCCC#CCN1CC[C@H](C)c2ccccc21 2139021488 LVHNMYBSTLCFSR-INIZCTEOSA-N 255.405 4.584 30 10 CJEE CCCCCC#CC[C@H](N)Cc1cc(Cl)cc(Cl)c1 2139129008 YBJDJMKQBPKFBH-INIZCTEOSA-N 298.257 4.837 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1[C@H]2CCCC[C@H]21 2141918951 LBSXDRJOCSHRQP-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@]1(C(=O)O)CCCC(F)(F)C1 2142001196 FNAUQXXUFZXHJH-AWEZNQCLSA-N 274.351 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1C(F)(F)C12CC2 2142431389 LSHIJLHNHQKWMW-ZIAGYGMSSA-N 272.379 4.699 30 10 CJEE C=CCCCCCCCC[C@@]1(O)C[C@@H]2CSC[C@@H]2C1 2142445856 KGCDAEJYXXQTFY-BJWYYQGGSA-N 282.493 4.797 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](N)CCCC 2142446563 CCBXKSDWWBUAPY-INIZCTEOSA-N 267.457 4.770 30 10 CJEE CCCCCCCC[C@H](NCC)c1sccc1CN 2142452476 IAMYZBBEDSTGCD-HNNXBMFYSA-N 282.497 4.608 30 10 CJEE CCCCCCCC[C@@H]1CCC[C@H](CNCCC)O1 2142452549 IRVRUUUEPNSVAJ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCCCCNC[C@@]1(C)CC1(F)F 2142454207 YSERBBPILDTXFK-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE CCCCCCCCOC[C@H](CC1CC1)NCCC 2142856871 QBMLHHJNEIXOFL-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](CC1(C)CCOCC1)NCC 2143858151 VUZMOAJLWMUUMA-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CCCC1(C)C 2148584892 ZGHBDYFRMBNATH-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@](C)(O)CC(C)C 2148599305 HLRWUIPQTUZHCN-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](N)[C@]12CCCC[C@@H]1OCC2 2149052155 BGWWQKGAKINILC-OKZBNKHCSA-N 281.484 4.804 30 10 CJEE CCCCCCCCC[C@H](O)c1cccn2ccnc12 2150724389 FHATWVJWJVKTAR-INIZCTEOSA-N 274.408 4.508 30 10 CJEE CC1(C)CC[C@H](CN=C2NC3(CCCCC3)CCS2)C1 2150819306 GVRXCVXGKLFWPR-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CCCN(C)C1 2151317376 ZONXIKFAQCUIHA-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE CCC[C@H]1CCC[C@H]1N=C1NC2(CCC(C)CC2)CS1 2152921619 VLTMLXURRNAKTQ-KRIMKBQASA-N 294.508 4.597 30 10 CJEE CCCCCCCCO[C@H]1[C@H]2CCCCC[C@H]2C[C@H]1O 2153396746 JXYOBUMBAGUVLE-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CC12CCCCC2 2156700638 DGYUQVVRBZVLNI-SJORKVTESA-N 280.500 4.929 30 10 CJEE CC1CCC([C@@H](C)N=C2N[C@H](CC(C)(C)C)CS2)CC1 2158435353 PHZMQFORYCWDNH-HXSCFSKGSA-N 296.524 4.698 30 10 CJEE CCCCCCCCC[C@]1(N)CCC2(CCOCC2)C1 2159739019 AHFDGLCOCCRMCY-SFHVURJKSA-N 281.484 4.805 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 2164157163 RZPNBROVHSFPDI-IMJJTQAJSA-N 273.420 4.800 30 10 CJEE CCCCCCCCCCC(=O)N(CC)C[C@H](C)C#N 2164494218 SQNNAALNWOSXIG-MRXNPFEDSA-N 280.456 4.525 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CCCC12CCC2 2166063434 ORABTYYVHHNGTL-HLPPOEQASA-N 279.374 4.922 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166130785 VRFIHIQVBMCMJF-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE N#C[C@@]1(C[C@H]2[C@H]3CCCC[C@H]32)CCCc2ccccc21 2167349012 AOZBJCHPSSQCAX-ZMMAXQRCSA-N 265.400 4.611 30 10 CJEE C=CC1(CN[C@H](C)c2sc(C(C)(C)C)nc2C)CCC1 2168008527 YXWGCHUKPFOVAJ-GFCCVEGCSA-N 292.492 4.756 30 10 CJEE C=CC1(C[C@H](NCC)c2ccc(F)c(F)c2F)CCC1 2168024410 UNIIGHPERYTTQB-ZDUSSCGKSA-N 283.337 4.501 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2CC[C@H]3C[C@H]3CC2)CCC1 2168030166 CZXYHMCYNLSEFL-MHORFTMASA-N 275.480 4.927 30 10 CJEE C=CCCOCC[C@@]1(CNCCC)CCCC(C)(C)C1 2168557396 XEROTWBYVZUOQN-SFHVURJKSA-N 281.484 4.555 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2csc([C@H](C)OC)n2)C1 2169776231 NKCRVPQQNHDXTN-WOSRLPQWSA-N 292.448 4.503 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccn(CCC)n1 2173484368 CCXJDZVQRIMVOZ-INIZCTEOSA-N 279.472 4.694 30 10 CJEE N#C[C@]1(c2ccnc3cc(Cl)ccc23)CCCC12CC2 2173611925 LBYTUKXFVSZJOV-KRWDZBQOSA-N 282.774 4.614 30 10 CJEE CCCCCCCC[C@H](NCCC)C1CC2(COC2)C1 2176486805 XTYHCRVBEUXBDS-KRWDZBQOSA-N 281.484 4.532 30 10 CJEE C=CC[C@@H]1CCCCN1CC1CCC(C(F)(F)F)CC1 2178449689 HRQGBZPUJOGYNR-YMAMQOFZSA-N 289.385 4.786 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CC(C)(CC)C2)C1 2179351671 XMARYVZDSISCHV-IKKRTKPYSA-N 276.468 4.605 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2Cc3ccccc32)CC1 2181675707 ZBXNTJPGAPQOAO-DOTOQJQBSA-N 268.400 4.668 30 10 CJEE C=C1CC(CNCC(C)C)(CC2CC(=C3CCC3)C2)C1 2182171752 MZYRORZVKZGZLF-UHFFFAOYSA-N 273.464 4.849 30 10 CJEE CC1(C)CC2(CC(C[C@](C)(C=O)c3ccccc3)C2)C1 2183164236 SNWVKBRXKWLACD-GOSISDBHSA-N 270.416 4.750 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@H]1OC)NCC 2188206841 FMRNIONTCNYCGR-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCc1ccc(C#N)c(Nc2cc(OC)ccc2Cl)c1 2188844072 DNDGOIKKWKGEKZ-UHFFFAOYSA-N 286.762 4.526 30 10 CJEE C=CCC[C@@H](C)N(C)c1ccc([C@H](C)NCC)cc1Cl 2190860981 ILVZAEYKDVYBQB-KGLIPLIRSA-N 294.870 4.801 30 10 CJEE N#Cc1ccc(Cl)nc1N[C@H]1CCCC12CCCCC2 2192698839 YYCOKKPHIRMFAN-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE CCCC1CCC(C=O)(C[C@@]23CC[C@@](C)(C2)OC3)CC1 2196127385 LNLILNRONUSPQZ-JYSRZZCRSA-N 278.436 4.511 30 10 CJEE N#C[C@]1(CCC[C@@H]2CC2(F)F)CCc2ccccc2C1 2196287324 HVYPAZKBMKDMQC-HZPDHXFCSA-N 275.342 4.511 30 10 CJEE CCCCCCCCN(C)[C@H](CN)c1sc(C)cc1C 2196737357 RCBGWQGZNMNSMK-MRXNPFEDSA-N 296.524 4.657 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cc2ccccc2o1 2196855596 DIPCELRTIQDGPU-HOCLYGCPSA-N 269.388 4.523 30 10 CJEE CCCCN(CC1(C=O)CCCCCC1)C1CCCC1 2197100191 YILOTKBNLNOIED-UHFFFAOYSA-N 279.468 4.571 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)[C@@H]1CCCCCC1(F)F 2197155514 QOEPRRPUHHQOJM-JKSUJKDBSA-N 279.374 4.503 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)C1CCC1 2197830904 ODOPNXATJQJGBJ-HNAYVOBHSA-N 271.448 4.890 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1C[C@@]12CCCOC2 2198361707 SGOVOZPLLXKLQC-SJLPKXTDSA-N 280.452 4.903 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1C[C@@H]1C1CCCCC1 2200042271 UEECVXUHKDQILI-FGTMMUONSA-N 275.480 4.621 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)[C@@H]1C[C@H]1C1CCCCC1 2200282014 LVCZKPUBVJTLOZ-BBWFWOEESA-N 288.822 4.860 30 10 CJEE CCc1cc(F)ccc1Nc1cc(Cl)c(C#N)cc1F 2201705361 KEJAXGAZISRQKO-UHFFFAOYSA-N 292.716 4.796 30 10 CJEE CCCCCC#CC[C@H](O)C12CC3CC(CC(C3)C1)C2 2203751369 QWSWCHFIKHKUCO-NNGLDNROSA-N 274.448 4.538 30 10 CJEE CCCCC#CC[C@@](C)(O)c1ccc(CC(C)C)cc1 2203777881 HVJRVMSZFDCGHK-LJQANCHMSA-N 272.432 4.676 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@]1(C)C[C@@H]1C(F)(F)F 2203820145 SZJFOTDXMWIFLB-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1CCSC1(C)C 2203820815 AAHBLGSWIOWPRW-IAGOWNOFSA-N 295.536 4.860 30 10 CJEE CCCCCC#CC[C@H](C[C@@]12CCC[C@H]1C2)NCCC 2203824906 BAQYQROCRGYHPP-OTWHNJEPSA-N 275.480 4.909 30 10 CJEE CCCCCC#CCC(=O)c1c(C)oc2ccccc12 2203876537 HZWFZUSBTYQLBO-UHFFFAOYSA-N 268.356 4.898 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)C1(CC)CC1 2207377336 MYTIINFVORZQJN-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)[C@H](C)C(C)C 2207377663 OQGYCOZUARSMIT-AEFFLSMTSA-N 282.468 4.905 30 10 CJEE C=CCCCCCCCCC(=O)C1(C)CCN(C)CC1 2207425821 UZRAXDKIBZIRKT-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H]1CCCCN1 2207431295 DHDIJLKIOAGSRR-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@H]1CCOC1)NCC 2207436045 JLPCKLXEORFMFR-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H](C)CC(C)C)NC 2207457648 PMWUJHPMUYONRG-SQNIBIBYSA-N 285.516 4.758 30 10 CJEE C=CCCCCCCC(=O)c1cccc(Br)n1 2215781173 XPFSMQZGFZSMSI-UHFFFAOYSA-N 296.208 4.553 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccsc1C 2217295139 BJDITXBCBZZWHC-OAHLLOKOSA-N 253.455 4.981 30 10 CJEE CCCC#C[C@@H](NCCC)c1sc(C)c(C)c1C 2221249072 MZWONEXQELOTSX-OAHLLOKOSA-N 263.450 4.518 30 10 CJEE CCC(=CC(=O)c1cccc(C(C)C)c1OC)CC 2224908892 WDACMQFDSFOSIQ-UHFFFAOYSA-N 260.377 4.748 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cccc(C)c1Cl 2225415533 GVEYKZPGDSZVLH-OAHLLOKOSA-N 277.839 4.739 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H]1CCC[C@H](CC)C1 2225419532 YQCIKZZRDRJNJL-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@](C)(OC(C)(C)CCC)C(=O)O 2226048522 RHEDDVLYQQXUEF-MRXNPFEDSA-N 272.429 4.786 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@]1(CC)CCCCO1 2227267785 JUJNEORNIPMCPX-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCNCc1cnc(C(C)C)s1 2227269155 WNGRXOWACBLIDV-UHFFFAOYSA-N 280.481 4.883 30 10 CJEE C=CCCCCCCCNc1cccc(F)c1OC 2227270884 ISZWTWGCIKLTKQ-UHFFFAOYSA-N 265.372 4.773 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1ccncc1Cl 2227271266 KQAYNCCZOUDMBK-INIZCTEOSA-N 280.843 4.826 30 10 CJEE C=CCCCCCCC[C@H](N)COC1(C)CCCC1 2227272036 NCWMZHRGQUHNGM-INIZCTEOSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCOc1cccc([C@@H](C)N)c1 2227274823 VTOSDWZHPMVQCR-OAHLLOKOSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCCN1C[C@H](C)[C@@H](C(F)(F)F)C1 2227279446 IMLJBIHJALXWJY-KBPBESRZSA-N 277.374 4.643 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H](C)COC 2227286299 XEKCAGPZNKDMHW-DLBZAZTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCNc1ccc(OC)c(F)c1 2227290395 GKVNNOMYVLNEHG-UHFFFAOYSA-N 265.372 4.773 30 10 CJEE C=CCCCCCCCNc1ccc(N(C)C)cc1 2227290522 HXRKPWKMMYDDMM-UHFFFAOYSA-N 260.425 4.691 30 10 CJEE CCCC[C@@H](C)CC[C@H](N)C#Cc1cccc(Cl)c1 2230991910 HOTXRHPIXGOLNV-PBHICJAKSA-N 277.839 4.625 30 10 CJEE CCCCCCC[C@@H](C#Cc1ccc(Cl)cc1)NC 2230993277 QYHBVQCHOXAEPW-KRWDZBQOSA-N 277.839 4.640 30 10 CJEE CCCCCCCCCCO[C@H]1C[C@@H](NC)C1(C)C 2231013788 IWDFTWRAVOUTKZ-CVEARBPZSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@@H]1CC2CCC1CC2 2231483284 KGIZFDGDVNTJBJ-WPAISBQESA-N 263.469 4.783 30 10 CJEE C=CCCCC[C@H](N)Cc1ccc(C(C)(C)C)cc1 2231517093 BUTZZQZUYTVEDM-KRWDZBQOSA-N 259.437 4.600 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2ccc(C3CCC3)cc2)C1 2231592695 ABSLCDCYOPUXPB-KSSFIOAISA-N 256.389 4.502 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCSCC1 2233723113 ZFTXCHSZGXFUER-BTTYYORXSA-N 299.430 4.875 30 10 CJEE C=CCCCCCCCNCc1cc2ncccc2s1 2235521862 NNYIWTODKVQVJX-UHFFFAOYSA-N 288.460 4.913 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCC[C@H](OC)C1 2235526378 KHQMQLOHQMTRLM-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)c1cc(C)c(C)s1 2235535706 QKQNWACJQZBANW-NVXWUHKLSA-N 295.492 4.642 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@@H]1C[C@H]1C(C)(C)C 2235535907 RGMRANXSNAUVGA-BFYDXBDKSA-N 280.452 4.515 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1c(F)cccc1Cl 2235538953 LXFHIIHRFMKVEF-OAHLLOKOSA-N 298.833 4.900 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(C)CCCCO1 2235539569 PUQPOXYNTIDDRT-ROUUACIJSA-N 281.484 4.840 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1cccc(Cl)c1[N+](=O)[O-] 2236885623 VZUXVVYBTQJCEL-OAHLLOKOSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCC(=O)c1nccc(C(C)C)n1 2237584769 XJWZWSOZUBGIJJ-UHFFFAOYSA-N 276.424 4.923 30 10 CJEE N#Cc1ccc(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 2238872422 DLHPWUMQSXWFFL-ZACQAIPSSA-N 268.404 4.577 30 10 CJEE CC[C@@](C#N)(CSCCCCCCC1CC1)NC1CC1 2239365758 QNACJKXNGMSPSE-QGZVFWFLSA-N 294.508 4.504 30 10 CJEE CCCCCCCCCCCCOC(=O)CC[C@@H](C)N 2239493347 RREQMJVTTWMZDB-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(C(C)(C)C)c(Cl)nn1 2239500949 FGQZYSBLOMODCO-GFCCVEGCSA-N 296.842 4.941 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(C(C)C)cc1 2240097250 WRGRGAOEKBPBOI-WMZOPIPTSA-N 273.464 4.933 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC12CC(OCC)C2 2240654633 TZDOSTPMEDYWDE-PBHCIXSXSA-N 281.484 4.673 30 10 CJEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)CC(C)C 2242048673 GUCMANVHVWLJDE-LJQANCHMSA-N 289.463 4.540 30 10 CJEE Cc1cc(Br)ccc1S[C@@H]1CCC[C@@H]1C#N 2243784003 ADRKBOQTVCBZDL-ZWNOBZJWSA-N 296.233 4.542 30 10 CJEE CC(C)(C)C(C)(C)Nc1c(Br)cccc1C#N 2248979549 TYZBHHBEJICWFB-UHFFFAOYSA-N 295.224 4.557 30 10 CJEE C=CCCCSCC(=O)c1ccc(Cl)cc1Cl 2250039982 UIHRHXHYQATXTN-UHFFFAOYSA-N 289.227 4.876 30 10 CJEE C=C(C)CCCCNc1ccc(OC)c(Cl)c1 2250162375 YETHMDYKVOZWRX-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(Br)cc1 2250180965 HNQZJZNGBOAIPB-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCC#CC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2258566008 NHYRDUZGANGAJF-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE C=CCCSc1ccc([C@H](C)NCCC)cc1F 2258988684 ZNJWHOHKVQCYBG-LBPRGKRZSA-N 267.413 4.555 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCC[C@@H](C)CC1 2259192610 IBUQXSHGKPQOTL-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)CCCC(C)(C)C1 2259238092 RGJRCQHPXRPPJA-MRXNPFEDSA-N 252.398 4.794 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1CC(F)(F)C1 2259239203 ZOBVBMFJCAUXON-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C)OCC 2263718024 NBPXNIKNNVJPFJ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C#N)cc(Cl)n1 2263824392 IWSNPAFUAUIMOU-LLVKDONJSA-N 282.840 4.915 30 10 CJEE Cc1cc(Nc2cc(Cl)c(Cl)cc2C)c(C#N)cn1 2266776139 JXEWIPWJYCUBHC-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)O)c(C)c1 2268101264 JLXJYEWZINYRKE-OAHLLOKOSA-N 264.409 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCCCCCC[C@@H]1N 2268767092 CJHIDGISVLWCOA-IRXDYDNUSA-N 261.453 4.670 30 10 CJEE 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CCCCCCC[C@@H](CCCC(C)C)OCCCN 2276473779 YOLMSRJEJIJJIZ-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@@H](C)CC 2276890691 HFMRZYKTXYPHAM-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC1(OCCN)CCCCCC1 2277362946 USLIXEFUPKETED-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C#CCCC[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279601162 JIUVRCDTIHGRFV-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=C1CC(CC[C@@H]2CCCCC23CC3)(C(=O)OCC)C1 2279725037 DAHVFPILWRHOGW-HNNXBMFYSA-N 276.420 4.637 30 10 CJEE CC1CC(CS)(CN(C)[C@H](C)C2CCC(C)(C)CC2)C1 2280053596 XILFIZMXAYTYTH-SWKXRBFHSA-N 297.552 4.869 30 10 CJEE CC(C)(C#N)CCCCOc1cccc2c1CCCC2 2285247718 VNGBKVOXBROPIO-UHFFFAOYSA-N 271.404 4.664 30 10 CJEE CC[C@@]1(C)CCSC(=Nc2cc(C3CC3)ccc2F)N1 2287307045 XTSZYHRUKRBJLZ-INIZCTEOSA-N 292.423 4.586 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](O)[C@H](CC)CCC 2287676210 XXBSSIUUXTYVIL-SQNIBIBYSA-N 283.500 4.678 30 10 CJEE C#CC1(NC[C@@H]2CCC[C@@H](CC)C2)CC2(CCCC2)C1 2288216978 XKCFJIWUSQVURB-IAGOWNOFSA-N 273.464 4.519 30 10 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30 10 CJEE C=CC[C@H](C)Sc1c(Cl)cccc1CNC(C)C 2313697190 BJCAJWSRODFCPL-LBPRGKRZSA-N 283.868 4.895 30 10 CJEE C=CC[C@@H](C)Sc1sc(CNCC(C)C)cc1C 2313705519 UNNXSPXQZATCSD-CYBMUJFWSA-N 283.506 4.859 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCC[C@@H](CC(C)C)C1 2316710773 ZCVPFANGBGPZCH-DOTOQJQBSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@](O)(CC)c1cccc(Cl)c1 2316715024 LIGNQDIFWUYHMQ-INIZCTEOSA-N 264.796 4.706 30 10 CJEE CCc1csc(C#CCCCC2=CCCCC2)n1 2318574155 YTGCCCLJGBNFOK-UHFFFAOYSA-N 259.418 4.728 30 10 CJEE CCCCCCCCCNC[C@H]1CC[C@H]1C1CC1 2319633705 VQPXCTRUPBNQSE-SJORKVTESA-N 251.458 4.763 30 10 CJEE C=CCCCCCCN(C)CCCC[C@@H]1C[C@@H]1C 2320021742 MGZJLBTWXWPBQU-DLBZAZTESA-N 251.458 4.881 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CCC2(CCCC2)C1 2328527588 JMDSRTPKCXXYPG-GJZGRUSLSA-N 270.482 4.708 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 2329147792 VESRMKZQZGRZCX-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC 2330816686 QDHFHNUEMKAFDV-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)SCc1csc(CNC2CC2)c1 2335097258 WBOSTHTVOLRYHS-UHFFFAOYSA-N 293.501 4.754 30 10 CJEE C=CC[C@H](C)Sc1cc(C)ccc1CN[C@@H](C)CC 2335230318 XVMYZSMIWFAIFI-GJZGRUSLSA-N 277.477 4.940 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(F)ccc1C(F)F 2338268811 DKLMQEJKFMNDJY-CQSZACIVSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1CC12CCCC2 2338747531 QRKOIXDAOIPOCN-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(F)cc1C1CC1 2339194690 BWFDEHNZWIRFJC-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE CC(C)(CC1=CC(=O)CCCC1)Cc1ccccc1 2339398276 DYBKTWDANOFNNQ-UHFFFAOYSA-N 256.389 4.715 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CC[C@H]1C1CC1)NCC 2342337440 JIKREHPANHOOQX-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343356004 QCQKLRBOAYMCJY-IXDOHACOSA-N 263.469 4.737 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1cc(F)ccc1Cl)NC 2344348343 JUKRDCIAAIMCQR-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C)ccc1C(F)(F)F 2344371952 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N#C[C@@H]1CCCCC[C@H]1Nc1cccc(C(F)(F)F)c1 54823217 HNVDHJZINQIWTF-SMDDNHRTSA-N 282.309 4.590 30 10 CJEE N#C[C@H](CCOc1cccc(Cl)c1)c1ccc(F)cc1 57685746 OUFFWSMEEIIOOR-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE N#Cc1cccc(CSCCCCOc2ccccc2)c1 58239838 PNLHKEMEJVEMNM-UHFFFAOYSA-N 297.423 4.651 30 10 CJEE CCCCCCCCCNCCCN1CCCC[C@H]1C 59088872 XRSGVBPCQDRRST-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCNc1ccc2oc(C)nc2c1 59090674 WGKQSYUQEQSVHG-UHFFFAOYSA-N 260.381 4.909 30 10 CJEE C=CCNc1ccc(-c2nc3ccc(C)cc3s2)cc1 75825188 LEKZZVNTSFLSBP-UHFFFAOYSA-N 280.396 4.870 30 10 CJEE CC1(C)CCC(Nc2ccc(Cl)c(C#N)c2)CC1 79623898 OXUKSTBYTRRUCS-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE Cc1cccc(C(C)C)c1NCc1ccc(C#N)cc1 83479756 NBQRXEOBSCXYOB-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE C[C@@H]1CC(Nc2ccc(C(F)(F)F)cc2C#N)C[C@H](C)C1 84978434 OJCMIVQCPMSVPM-BVUQATHDSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 91880740 ZJZNXTLIRCYJDM-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CCC(CC)(CS)COCc1ccc(Cl)cc1 94585894 CCPYIDMVZJVULH-UHFFFAOYSA-N 272.841 4.593 30 10 CJEE C=C(C)CC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NN 97783807 ADKUUPYYOCOWDC-MWXXRFSMSA-N 290.495 4.561 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)cc(F)c2)C1 97920666 MHFAHZGNXRUXGN-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE CCCC#CCCc1cc(C)c(OCCC)cc1C 107653862 ZNINPAKURVVHOV-UHFFFAOYSA-N 258.405 4.828 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCC[C@H]2C(C)(C)C)c1 110028706 FGGAHYVNRYXVCL-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCC[C@@H](COC)NCCC 112871897 RFSIOMWQFWCGBD-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCN(CCC)C(CC)(CC)CN 112995600 KOEJKSJECCFWQJ-UHFFFAOYSA-N 284.532 4.967 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@H]1CCC 114058542 ZRFIDCQMWNWPAQ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 118183592 GOIBTNXYDQZIDV-FUHWJXTLSA-N 281.484 4.817 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(F)cn1 122513584 UVFISMZYAAFHMT-OAHLLOKOSA-N 266.404 4.622 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 125745349 RAJOUYLPDIAMOC-SQNIBIBYSA-N 257.421 4.515 30 10 CJEE CC(C)CCC[C@@H](C)n1c(S)nc2c(C#N)cccc21 126016654 YYWRPKKRSTXDAB-GFCCVEGCSA-N 287.432 4.584 30 10 CJEE CCSc1cccc(NCC2(C)CCCC2)c1C#N 127055965 MVMHANRFYHUVPX-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCc2cc(Cl)ccc21 127453088 OXSHVSZOUCORGG-INIZCTEOSA-N 282.774 4.620 30 10 CJEE C#CC[C@@H](C)N[C@@H](c1cccs1)c1ccc(Cl)s1 129855670 UAYWNQWTLSRQRZ-YGRLFVJLSA-N 295.860 4.554 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC(C)(C)C[C@H]2C)cc1 156056415 ZISZSKWLHSAWND-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@@H](O)c1nc(C)cs1 162237460 CVYMGWYEESCZOJ-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1 218005401 LAMIDBSEJLYUNV-LTFXXXRZSA-N 288.479 4.750 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218349639 DMPXTSLWEGKGJZ-ONERCXAPSA-N 298.213 4.747 30 10 CJEE CC1(C)CCCC[C@H]1C(=O)[C@@H](C#N)c1cccc(Cl)c1 226592316 MWTRBJXKHQIGHZ-GJZGRUSLSA-N 289.806 4.733 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2cc(F)ccc2O1 229359403 CLRZZBYPUPEOIS-NVXWUHKLSA-N 280.383 4.761 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2cc(C)ccc2O1 229409460 JFFDVBNNWHMLDY-SJLPKXTDSA-N 276.420 4.930 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCOC2(CCC2)C1 229833082 DYDUTAWUKWZGQG-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H](C)CC(C)C 232972368 JDIHZQNXVUSLDG-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccncc1CC 233124854 AOALISFEZVHIFU-SFHVURJKSA-N 274.452 4.821 30 10 CJEE C=CCC[C@H](NCC)c1cc(Cl)sc1Cl 233565964 YZENTGASRAKWJU-VIFPVBQESA-N 264.221 4.672 30 10 CJEE N#Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)c(Cl)c1 236032612 OPRSAQCBHWLMQA-KGLIPLIRSA-N 274.795 4.592 30 10 CJEE C#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC(C)C 250589157 ZYYFWTJONCPCDM-SQNIBIBYSA-N 277.496 4.724 30 10 CJEE C=C(C)CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 253214356 CGINIZVGXUVNOE-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CC1CCC(c2cccc(C3(C#N)CCC3)c2)CC1 260527627 HMJOBIRKBCDRGG-UHFFFAOYSA-N 253.389 4.926 30 10 CJEE Cc1cccc2c1CC[C@H](C#N)[C@H]2C1CCCCC1 260652802 QLXUCAMRHXBABA-CRAIPNDOSA-N 253.389 4.745 30 10 CJEE CC(C)c1nc2cc(C(C)(C)CC#N)ccc2s1 260663347 SJWVUHOTWGFASF-UHFFFAOYSA-N 258.390 4.611 30 10 CJEE C=CCCCCN[C@@H](C)c1cc(Br)cs1 309033938 DQUAGVWTSHZWPE-JTQLQIEISA-N 288.254 4.518 30 10 CJEE C[C@@]1(c2cc(Cl)sc2Cl)CC[C@](C)(CC#N)O1 310437300 OTHMZUHRVCTCIM-NEPJUHHUSA-N 290.215 4.753 30 10 CJEE C=CCCCCN[C@@H]1CCCC[C@H]1c1ccccc1 311591246 AVBKOKSRFQIPMP-ZWKOTPCHSA-N 257.421 4.659 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)CCc1cccc(C)c1 311745212 TZUHIIHXGZFQPP-INIZCTEOSA-N 259.437 4.508 30 10 CJEE C#Cc1cccc(NCc2cc(Cl)sc2Cl)c1 312554878 HAXNOUFHKXOAMT-UHFFFAOYSA-N 282.195 4.648 30 10 CJEE CCCC[C@@H](C)N(C)c1ccc(C(F)(F)F)c(C#N)c1 312675263 MGORPYDAPHDEBU-LLVKDONJSA-N 284.325 4.592 30 10 CJEE C=C(CC)C[C@]1(CNC(C)C)CCC[C@H](CC)C1 318120087 VGOIOHDDZDHVOX-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 318783401 SWVAVZCXKJDMLY-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE 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MFTDGMBNGUBJNX-TZNCUMHOSA-N 281.484 4.529 30 10 CJEE C=CCC[C@H](C)c1cc(OC)c(Br)s1 2242465319 QHAQDAKFBOXCPG-QMMMGPOBSA-N 275.211 4.589 30 10 CJEE CCCCCCCNCc1cc(C)ccc1Cl 2248111624 PTCBJOMZEQEXSW-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE C=CCCCSC[C@H](NCC)c1ccccc1Cl 2258978390 KUJVDWNWJUYMSB-HNNXBMFYSA-N 283.868 4.690 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCS[C@H](C)C1 2259163254 FTIXOEYFBDVDFV-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cc(Cl)sc1C=O 2259946239 MCFGFYLCNTWSGR-UHFFFAOYSA-N 298.150 4.531 30 10 CJEE C=CCCCC[C@H](O)c1sc(C(F)(F)F)cc1C 2263302060 CTFBVKNFBMCYKL-JTQLQIEISA-N 278.339 4.855 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1csc(C)c1C 2264407333 KEZYXZLDCYOJFC-INIZCTEOSA-N 282.449 4.659 30 10 CJEE C=CCCCCCCC=C1CN[C@@H]2CCCC[C@H]2C1 2264836340 PDROPFHFLXRCCF-ZWKOTPCHSA-N 261.453 4.992 30 10 CJEE N#Cc1c(Cl)cccc1NCC[C@H]1CCCC12CC2 2266656495 MWRGFGDBMYHQDC-GFCCVEGCSA-N 274.795 4.594 30 10 CJEE CC#CCCC[C@H](NCCC)c1csc(C2CC2)c1 2267854857 UWTMOPJHEYIYGE-INIZCTEOSA-N 275.461 4.860 30 10 CJEE C#CC[C@H](Cn1ccc2cc(Cl)c(Cl)cc21)C1CC1 2268284468 RNPDRFSVFMOJJS-CYBMUJFWSA-N 292.209 4.998 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2268750861 QBUUQPHLBXCPSJ-INIZCTEOSA-N 275.823 4.596 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC(C)(C)CC[C@@H]1O 2268786301 OHYFTEGSJXKZQA-CVEARBPZSA-N 262.437 4.560 30 10 CJEE CCCC[C@H](C)CC[C@@H](O)CC=CC#CC(C)(C)C 2268833464 OXLGGLJUCIFYFX-IRXDYDNUSA-N 264.453 4.950 30 10 CJEE C=CCCCCCCCSCC[C@@H](C#N)NCCC 2271513138 BZNJUYSKDFDVDK-INIZCTEOSA-N 282.497 4.528 30 10 CJEE C=CCCS[C@@H]1CCCCCCC(F)(F)[C@@H]1NCC 2271584708 DMLQPMCPXFQJFX-ZIAGYGMSSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(OCCC)cc1 2271785276 LWPYMWFOOXHFBL-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE N#Cc1cc(NC[C@]23CCCC[C@H]2CC3)ccc1Cl 2273427395 PSBDQSHAORGAFX-XJKSGUPXSA-N 274.795 4.594 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1ccsc1 2276439415 AHYDWCCPYNWZOY-INIZCTEOSA-N 283.481 4.905 30 10 CJEE SCCCCCCCN1CCCC[C@@H]1c1nccs1 2277504719 BZYRZJNZGIFTRT-CQSZACIVSA-N 298.521 4.550 30 10 CJEE C=C(F)C[C@@](C)(CCCCCCCCC)OCCN 2278241839 XFEGRTRNESOKGM-MRXNPFEDSA-N 273.436 4.734 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(C)CCCO1 2278247033 SYWZUEDMTIHLJL-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc2scnc2c1 2278668440 ZJRUJGYOWLIBPK-CQSZACIVSA-N 274.433 4.823 30 10 CJEE C[C@@H]1CCC[C@@H](CCN(CCC#N)CC2CCCC2)C1 2279804566 GGCDQKOCBRIBGJ-SJORKVTESA-N 276.468 4.609 30 10 CJEE C=CCOc1ccccc1[C@H](O)CCCC[C@@H]1C[C@@H]1C 2280461857 XVCLYMJQBRUZQZ-ZMSDIMECSA-N 274.404 4.501 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CC(F)(F)C12CCC2 2280874901 WYQMFNBAJGHWCN-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE CCSc1cccc(OC[C@H]2CCC23CCC3)c1C#N 2280894697 RSPQIQJLAZRRQD-CYBMUJFWSA-N 287.428 4.629 30 10 CJEE Cc1ccc(Cl)c(C(=O)[C@@H](CC#N)c2ccccc2)c1 2283382238 XBXJKBNJENBNAG-AWEZNQCLSA-N 283.758 4.529 30 10 CJEE C=CCCC[C@@H](Cc1ccc(CCC)cc1)NCCC 2283528706 BHOBLGZASHECAU-IBGZPJMESA-N 273.464 4.906 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CC[C@H]2CCCC[C@H]2C1 2284111746 WCWBHVAGBIAPAK-AOIWGVFYSA-N 273.464 4.670 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@H]1CCCC(C)(C)CC1 2284180802 OFHACXKDKHRCSQ-SJORKVTESA-N 275.480 4.916 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2nc(C)cc3sccc23)C1 2286124402 RKNMSVKXNCODBY-SUMWQHHRSA-N 284.428 4.966 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(OC)cc1C 2287468964 ATGSKPXBFWESEB-GOSISDBHSA-N 275.436 4.791 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H]1CCCC[C@H]1CC 2289614143 KFBDHERISFITJS-GUDVDZBRSA-N 275.480 4.765 30 10 CJEE C=CCC[C@H](C)[C@@](CC)(CCC(C)C)OCCC(=O)O 2291002118 BOOPAMPRSMQIIL-DOTOQJQBSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@H](C[C@H](C)CC)OCCC(=O)O 2291287829 YDPKXQXXHAIPOA-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1ccsc1C 2291753599 LQKJGVYPOUGMQF-OAHLLOKOSA-N 296.432 4.725 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CC[C@@H](C)C1 2292650415 RFWKJWUFOIZPHD-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cc(F)cc(Cl)c1 2293268660 LLNAYGINXQSWGK-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CCS[C@@H]1C 2293873928 REVSONPEPYROSF-IAGOWNOFSA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@H]1CCC)OCCN 2293943863 VEAFCUCKHPPFEI-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCCCC[C@@H]1C(C)C 2294267504 SWQIVUFHGNFGNQ-SJLPKXTDSA-N 281.484 4.539 30 10 CJEE C=CC[C@H](C)C1(OCCCN)CCC(CC)(CC)CC1 2294537522 DCGVTFLWMRAOFX-INIZCTEOSA-N 281.484 4.683 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc2ccc(Cl)cc2n1 2294966474 HXXSOKSOEOGYBF-SJCJKPOMSA-N 288.822 4.751 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C(CC)CC 2295679343 OLFHGLBSZDAFOF-ROUUACIJSA-N 285.516 4.902 30 10 CJEE CCCC[C@H](CC)CSC[C@](N)(C#N)C1CCCCC1 2295766611 OXKRHGWENHTFRB-DOTOQJQBSA-N 296.524 4.737 30 10 CJEE CCCN[C@@](C#N)(CCCSCC1=CCCC1)C(C)C 2296271797 HJZGAUPEEBMXGE-QGZVFWFLSA-N 294.508 4.528 30 10 CJEE N#Cc1c(-c2ccccc2)ccnc1C=Cc1ccccc1 2297311109 YDSQXXJLCFMORD-UHFFFAOYSA-N 282.346 4.791 30 10 CJEE C=CC[C@H](C)SCC(=O)c1ccc(Cl)cc1Cl 2298940550 WHAVUXPJPYFXIG-VIFPVBQESA-N 289.227 4.874 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1sc(C)c(C)c1C 2304025953 XOXPDZFGXSRAMK-CABCVRRESA-N 251.439 4.666 30 10 CJEE N#C[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCCC(F)(F)C1 2310510927 WMICSZPQURQKSO-MGPQQGTHSA-N 253.336 4.676 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cccc2sccc12 2319261785 QUUHBKHDTDUQHT-GOEBONIOSA-N 257.402 4.518 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(SC)c1 2321118122 RFJJHWPAFJNBIA-CVEARBPZSA-N 263.450 4.661 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCc1ccccc1Cl 2327098736 BVISJOOPKDMJPT-OAHLLOKOSA-N 286.868 4.839 30 10 CJEE Cc1cc(Cl)c([C@H](N)CC#CC(C)(C)C)c(Cl)c1 2327874366 ZLXAUHZENXRJPI-CYBMUJFWSA-N 284.230 4.741 30 10 CJEE CCC(=NOCCOc1cccc(C)c1)c1ccc(C)cc1 2330246031 NAXFRISXMXZNGW-UHFFFAOYSA-N 297.398 4.513 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2333450664 ICPXGOSQUHHFFZ-REWJHTLYSA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@H]2CCCC[C@H]2C[C@H]1NCCC 2335195590 YCYADQBNOXUIJJ-VIQHNZTISA-N 281.509 4.631 30 10 CJEE Cc1c(C[C@]2(C=O)C[C@H]3CC[C@H]2C3)ccc(Cl)c1Cl 2338674348 QCXJHNBWNGOXBG-RBOXIYTFSA-N 297.225 4.850 30 10 CJEE Cc1c(C[C@]2(C#N)COC(C)(C)C2)ccc(Cl)c1Cl 2338854130 KJLLDNBOOSUHKE-HNNXBMFYSA-N 298.213 4.553 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC12CC2 2339027486 YIMFEQLHZWEBIZ-CUSZFKRNSA-N 260.421 4.742 30 10 CJEE CCc1cscc1N=C1N[C@@]2(CCCC2(C)C)CS1 2341920579 VIAJTHJUVXXASV-HNNXBMFYSA-N 294.489 4.583 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CC(F)(F)C1)NCCC 2344337672 SMKCMXQTXBQFMV-ZDUSSCGKSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc2cc(C)ccc2o1 2344338397 ZCWJDTSJJUNOQN-IAGOWNOFSA-N 257.377 4.733 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCCC[C@@H]1C2)NCC 2344342948 MMHLRUHPLCUKPV-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1CC(C(F)(F)F)C1 2344346695 VIFINOTZPKCTLS-HOAMVYINSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cnc(C(C)(F)F)s1 2344356610 NBTPQZWTSJFPOP-NSHDSACASA-N 288.407 4.508 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NC 2344358376 UZMLGIMJFAQLMP-VQHPVUNQSA-N 261.453 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc2ccoc12 2344373457 AQAUBOWYUJILSE-IRXDYDNUSA-N 257.377 4.686 30 10 CJEE CC(C)[C@@H]1CC[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)C1 2352098374 MJUYJVJAXJMERJ-VYDXJSESSA-N 285.541 4.725 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2353829282 YHWYHYVZMRZBAA-QSJFSLAZSA-N 284.509 4.810 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1cc(F)cc(F)c1 2360326118 DDQYIIBCAXYBPF-WBMJQRKESA-N 299.430 4.703 30 10 CJEE COc1ccc2ccccc2c1/C=N/c1ccc(F)cc1 297110 KLWMCJPNSGMZGP-UDWIEESQSA-N 279.314 4.738 30 10 CJEE N#Cc1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 5569316 JSWPYFZLQSHDSV-GIJQJNRQSA-N 275.138 4.616 30 10 CJEE CCCCC1CCC(C(=O)[C@@H](C#N)c2ccccc2)CC1 36930330 HPCZPMGEUJLAEE-VJFUWPCTSA-N 283.415 4.859 30 10 CJEE CCCCCCNc1ccc(C#N)cc1C(F)(F)F 36973547 AEQXQWJWCXCBMP-UHFFFAOYSA-N 270.298 4.569 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 49028848 JSHXFKZUUSGKET-HLLBOEOZSA-N 290.476 4.677 30 10 CJEE CCCCCCCCCCCCOCCCCN 60007682 IQPYBWKMVBWJDP-UHFFFAOYSA-N 257.462 4.663 30 10 CJEE Cc1sc(-c2ccc(Cl)cc2Cl)cc1C#N 77094049 WDCWRCHIKXRANH-UHFFFAOYSA-N 268.168 4.902 30 10 CJEE CCC1(CC)CC(C#N)(c2cccc(Br)c2)C1 86521059 NDHIYZKIMZBZSH-UHFFFAOYSA-N 292.220 4.811 30 10 CJEE C[C@H]1C[C@H](OCCCC(C)(C)C#N)CC(C)(C)C1 87608977 YKOAYHBTYSQYOR-KBPBESRZSA-N 251.414 4.548 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2c(C)cc(C)cc2C)C1 87996809 CPCJQOLQATUTMM-FUHWJXTLSA-N 255.405 4.874 30 10 CJEE C[C@@H](CCS)CCOc1ccccc1C(C)(C)C 94582466 DJKZFEONZKOUHR-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@@H](CS)C(C)C 94583469 UGADWBIQVFMWCT-LBPRGKRZSA-N 272.841 4.538 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 97390023 OUVBNZKOMQSOGF-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@@H](Cc1nc(C)cs1)NCCC 103711443 WTBDZPPRRSGDQX-HNNXBMFYSA-N 282.497 4.723 30 10 CJEE C=CC[C@H](C)c1cc(OCC)c(OCC)cc1Cl 107678492 KJAVLSZUXIJHIM-NSHDSACASA-N 268.784 4.817 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(F)c(C#N)c2)c(C)c1 109947655 WFSZDXXGYGHNBY-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N2CCC3(CCCCC3)CC2)C1 110265492 FASXLBRKVDWRLL-OKZBNKHCSA-N 288.479 4.751 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1cc(F)ccc1F 110354238 XDEQVKCXIQTEKI-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCCCCCCCN1CCCN[C@@H](CC(C)C)C1 114077273 GBOZZGCIKHAKQH-IBGZPJMESA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NCC[C@@H]1C 114078889 SPVGGQQRMQITNS-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Nc2ccccc2)C1 124886734 BFROVTVVRAHLII-UHFFFAOYSA-N 256.393 4.597 30 10 CJEE CCCCCCC[C@H](NN)c1ccc2ccccc2c1 126031687 WWNLVQGMRLZUIM-SFHVURJKSA-N 270.420 4.705 30 10 CJEE CCCCCCCCCn1nc(CC)cc1CC 126189160 BLHPHQHKFQLJAJ-UHFFFAOYSA-N 250.430 4.759 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(F)ccc1F 126287538 AAOAIUZPZLFIFH-MRXNPFEDSA-N 284.394 4.610 30 10 CJEE CCCCCCCCCC(=O)c1cccc2c1CCNC2 126631834 OOXHFSZAGKIKLS-UHFFFAOYSA-N 287.447 4.656 30 10 CJEE CCCCCCCCCc1onc(N)c1-c1ccncc1 127385081 XYPPMZJGMONONE-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE Cc1cccc(NC2(C#N)CC(C)(C)CC(C)(C)C2)c1 129801767 WKJFEBNUFHDSKE-UHFFFAOYSA-N 270.420 4.906 30 10 CJEE C=CC[C@@H](C)NCc1cc(-c2cccs2)cs1 134748761 SUORIJYZZMLTNI-LLVKDONJSA-N 263.431 4.531 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCCC[C@H]1O 146322989 GMRCTNQUKZMZMK-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCC[C@H](O)P(C)(C)=O 147999872 YHCCLBGMRIFJSG-CQSZACIVSA-N 262.374 4.848 30 10 CJEE CCCCCCC[C@H](N)[C@@H](OCC)C1CCCCC1 158517559 UDWMOFJBFLZQET-IRXDYDNUSA-N 269.473 4.660 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1c(C)cc(C)cc1C 158941124 LZJJODRVLPWDBA-IBGZPJMESA-N 273.464 4.592 30 10 CJEE Cc1cccc2c1ccn2Cc1ccc(C#N)cc1Cl 163797366 RDBAUQYEOOTDDM-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CC(=O)c1ccc(C#N)cc1Sc1ccc(Cl)cc1 169009094 PBBPCYNKZHGYRU-UHFFFAOYSA-N 287.771 4.565 30 10 CJEE Fc1cccc(Cl)c1OC[C@H](CS)c1ccccc1 212902644 KLDYXOCEMBWJOJ-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(Cl)n1 228821470 ZENFSLWAJPXBEY-UHFFFAOYSA-N 282.815 4.814 30 10 CJEE CCCCCCCCC[C@@H](Cc1cncs1)NCC 229230289 HZLQASNXHUBXCF-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=CCCC[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229378279 YVPFDWDGUBZDIS-HZOPKGLOSA-N 275.480 4.927 30 10 CJEE C=C(CS)COc1ccc(-c2ccccc2)cc1Cl 231633609 MYZFPBHRDYAMMR-UHFFFAOYSA-N 290.815 4.872 30 10 CJEE CCCCCCCCCCCC[C@H]1COCC[C@@H]1N 232917329 YWEONYHISNQHML-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CSCCCCCCNc1ccc(C#N)c(Cl)c1 235031486 WTKZISMXODGWIK-UHFFFAOYSA-N 282.840 4.547 30 10 CJEE C[C@H]1C[C@@H](OCCCCC(C)(C)C#N)CC[C@H]1C 235281273 UOIKPTUOCAQCLE-ILXRZTDVSA-N 251.414 4.548 30 10 CJEE C=CCCCCCC(=O)CSc1cccc(C)c1 235800841 NZGIMVOYXQWMGQ-UHFFFAOYSA-N 262.418 4.793 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2scc(C)c2Cl)cc1 235914435 SAMMAVJUKOYAMZ-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)CC[C@H]1NCC 250809182 GUOFFGCPGHLOHS-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@H]1[C@H](C)CC 250824115 MNBQYOMIMWWWJE-QYZOEREBSA-N 296.543 4.691 30 10 CJEE Clc1ccc(N2CCSC2=Nc2ccccc2)cc1 252610029 HYEDLGPQHPKFAU-UHFFFAOYSA-N 288.803 4.581 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCCC[C@H]1C(F)(F)F 252997300 MHUWILJXQMMSQY-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)[C@H](C)C1 253017024 VWFFWNMVWNMEKK-VQHPVUNQSA-N 268.489 4.641 30 10 CJEE CC(C)c1nc2cc(C3(C#N)CCCC3)ccc2s1 260647352 SDOHMTOMXBLUJI-UHFFFAOYSA-N 270.401 4.755 30 10 CJEE C=C([C@H](C[C@@H](C)CC(C)(C)C)NCC)C(F)(F)F 311037376 RMGQXELZXOHLAL-PWSUYJOCSA-N 265.363 4.545 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1CCCC12CCCCC2 312986607 GHGDBFMBFIFGOF-INIZCTEOSA-N 268.404 4.782 30 10 CJEE C=CCCCN[C@@H](C)C(c1ccccc1)c1ccccc1 314480695 KIDAMDHAOBTILA-KRWDZBQOSA-N 279.427 4.763 30 10 CJEE O=CC1(Cc2cccc(F)c2Cl)CCCCCCC1 316725437 MQABBTHLQIGJMI-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 319857517 OFJCPKKCZTYJNI-MWLCHTKSSA-N 256.176 4.893 30 10 CJEE CCCCCCCCCCNC[C@@](C)(CC)OC 322539989 SGWHGUVCYGPSGM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE SC/C=C/CSc1ccc(Cl)cc1Cl 322621607 NSPFZYFUZXMBST-OWOJBTEDSA-N 265.230 4.572 30 10 CJEE N#Cc1cc(Cl)ccc1NC(C1CCC1)C1CCC1 324728422 ILWUQOIIIGTKSY-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE CCC(CC)[C@@H]1CN/C(=N/CC2CCC(C)(C)CC2)S1 380502332 XXVZDMOCMWVHRR-HNNXBMFYSA-N 296.524 4.700 30 10 CJEE CCCCCCCC[C@@H](NCC)C1CC(F)(F)C1 383239185 BJIPMXVPNKAQKW-CQSZACIVSA-N 261.400 4.760 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cccc2ccccc12 393739992 DIVUEQDGUPIYQQ-GOEBONIOSA-N 253.389 4.845 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(C)cc(Cl)c2)C1 395081339 MFTPQURGRGSFHM-KBRIMQKVSA-N 291.822 4.792 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 398054233 CPOHFUVESLOGLX-OLZOCXBDSA-N 283.362 4.683 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1cc2ccccc2o1 398169187 KQCYMYFWOUWSFP-UONOGXRCSA-N 257.377 4.828 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2nccc3ccccc23)C1 401668562 PUVHHBPQWDFRMO-XNRPHZJLSA-N 282.412 4.655 30 10 CJEE CC[C@H]1CCCC[C@H]1[C@@H](O)[C@@]1(C#N)CCC[C@@H](CC)C1 401934125 DLXMXNZNPLWBDU-ILOCAZANSA-N 277.452 4.674 30 10 CJEE Cc1cc(OCC2(C#N)CCCC2)ccc1C(C)C 405102653 FEGLVBDOWBRYFQ-UHFFFAOYSA-N 257.377 4.581 30 10 CJEE C=CCN(C(=O)Nc1ccc(Cl)cc1C(C)C)C1CC1 529249100 YEBJCYWNSFLMOC-UHFFFAOYSA-N 292.810 4.646 30 10 CJEE O/N=C(\c1ccccc1)c1ccc(Oc2ccccc2)cc1 575448863 OWZKLWLJBOVIMI-FMQUCBEESA-N 289.334 4.706 30 10 CJEE CCC(C)(C)CCNc1cc(Br)cc(C#N)c1 686311935 LZPFHKDJNMSWRB-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(Cl)cc(F)c1F 690952706 NSFZYCAULSKVMZ-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1 692275804 PHOLUILVIAQKOO-XDNAFOTISA-N 261.453 4.680 30 10 CJEE CCCCCCCO[C@H](CC)CNCC(CC)CC 695111488 MNUPDHZAVOMKOR-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@H]1CCCC[C@H]1C1CC1 695870248 HFHRVDVNHRFAJL-BBRMVZONSA-N 288.822 4.617 30 10 CJEE C=C1C[C@H]2CC(NCC3(CC(C)C)CC3)C[C@@H](C1)C2 697311429 QFBAIEHANSQILY-SJPCQFCGSA-N 261.453 4.537 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCc4sccc43)C[C@@H](C1)C2 697335003 YMRIMVPYWIZMBT-KJFZJZGVSA-N 287.472 4.850 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)C[C@@H](CS)c2ccccc2)CC1 697835162 IHEBLZUJZZWMPD-BPQIPLTHSA-N 291.504 4.601 30 10 CJEE CCCCCCC[C@@H](NCCC)c1c(F)cncc1F 699005189 NUPCHXSFUUMWKS-OAHLLOKOSA-N 284.394 4.761 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1C(C)(C)CCC1(C)C 699620196 GEQFATAGGMZAGW-HUUCEWRRSA-N 263.469 4.926 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(C)(C)C 705247810 UQYDEOGEDYYOGQ-IINYFYTJSA-N 284.230 4.692 30 10 CJEE N#C[C@]1(NC2CCCCCC2)CC[C@H]2CCCC[C@H]2C1 723611268 WNSXXPWKGMYCJX-RYRKJORJSA-N 274.452 4.551 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(C)cc2F)CC1 724558935 LPEUKZWQCKLWSR-SFHVURJKSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(Cl)cc(F)c2F)CC1 724561334 WOWZASITLXKWQK-CQSZACIVSA-N 285.765 4.755 30 10 CJEE C=C1CCC(C[C@H](NCC)C2C[C@@H]3CC[C@H](C2)S3)CC1 724588514 KBXZNRXEOQQBAN-FBVQUNGASA-N 293.520 4.775 30 10 CJEE C=C1CCC(C[C@H](NC)c2csc(Cl)c2)CC1 724601854 GRBZODLRAGXFCX-ZDUSSCGKSA-N 269.841 4.799 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@@H](C2CCCC2)CCS1 725104423 JQAMPICOBFOCPS-OAHLLOKOSA-N 296.524 4.700 30 10 CJEE CC(C)Oc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1 781423978 ZXFVLOBRAKRLDK-ZDUSSCGKSA-N 298.361 4.658 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(C)cc1C 821219325 KPYJBWJOVVYFEX-FMQUCBEESA-N 281.399 4.943 30 10 CJEE Clc1cccc(N=Cc2cccn2-c2ccccc2)c1 1084519829 SDOGDUIKZBFJIG-UHFFFAOYSA-N 280.758 4.881 30 10 CJEE C#Cc1cccc(NC(=O)[C@@H](CCC)CC2CCCCC2)c1 1124681325 MTICBEVGXSGURE-SFHVURJKSA-N 297.442 4.993 30 10 CJEE C=CCCCC(=O)Nc1ccc2nc(C(C)C)sc2c1 1125487070 MQRLILPSRWHGDJ-UHFFFAOYSA-N 288.416 4.715 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)s1 1127564582 KLCVBYVBRHKISZ-VIFPVBQESA-N 272.797 4.608 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1Cl 1131106598 UPNYGKTXQSQWOG-UKRRQHHQSA-N 291.822 4.513 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 1131134942 RLQXIMMGMJXJAS-OALUTQOASA-N 292.378 4.577 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1 1134837938 FWPYIXCVAHGUER-CQSZACIVSA-N 297.373 4.676 30 10 CJEE C=CCCCCCCNCc1cnc(-c2ccco2)s1 1178688347 IKCFRPJQXJMGFZ-UHFFFAOYSA-N 290.432 4.629 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC[C@H](C)c2ccc(OC)cc2)C1 1200487123 SCNROMQFSJPLBT-JZXOWHBKSA-N 287.447 4.523 30 10 CJEE C#Cc1cccc(N[C@@H]2CC[C@](C)(c3ccccc3)C2)c1 1205277630 RVIKTEKIAYQTOC-UXHICEINSA-N 275.395 4.590 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 1206598789 VPXLPPLHXHWQAX-OAHLLOKOSA-N 299.389 4.874 30 10 CJEE C=CCC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC1 1264233802 KXXJEEPLDMLANV-UHFFFAOYSA-N 284.186 4.678 30 10 CJEE C=CCCc1ccccc1NC(=O)C12CCC(CC1)CC2 1270144250 LJUXHGOALWLEGP-UHFFFAOYSA-N 283.415 4.714 30 10 CJEE C=C1CCN(C(=O)/C=C\CCCCCCCCC)CC1 1292890001 SGOJKEYGYSESAT-QXMHVHEDSA-N 277.452 4.862 30 10 CJEE CCCCCCCN1CCC(OCC2CCCC2)CC1 1307518054 LHCXDAQJDBVHOT-UHFFFAOYSA-N 281.484 4.628 30 10 CJEE C=CCN(C(=O)CCCC[C@@H](C)CC)c1ccccc1 1352782299 CJBMGNOQAFUHQU-INIZCTEOSA-N 273.420 4.812 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](CC)c1cccc(OCC)c1 1355130366 JONAKAQLOOFHEM-YOEHRIQHSA-N 290.403 4.682 30 10 CJEE C=CCCCC(=O)Nc1ccc(SC(C)(C)C)cc1 1434970174 XHJHEGMJUFECOA-UHFFFAOYSA-N 277.433 4.872 30 10 CJEE C=CCOc1ccc(OC(=O)[C@@H](C)CCCCCC)cc1 1435309832 VCLMYNSISZOCPG-HNNXBMFYSA-N 290.403 4.763 30 10 CJEE C=CC[C@H]1CCN(C(=O)c2coc3ccc(C(C)C)cc23)C1 1437964243 UPQKJAGGOPBJSX-AWEZNQCLSA-N 297.398 4.594 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)[C@H](C)CCCC 1450070301 DJTLFJMAFKJNSK-MRXNPFEDSA-N 267.457 4.796 30 10 CJEE C=CCCCN1CCC[C@H]1c1cccc2ccccc12 1459353990 CUXROOCCPGECPA-IBGZPJMESA-N 265.400 4.943 30 10 CJEE C=CCCc1ccccc1NCc1ccc2ncccc2c1 1461467940 XYVZIRKGWBUOQR-UHFFFAOYSA-N 288.394 4.966 30 10 CJEE C#Cc1ccc(NCc2ccc(SC)cc2)c(Cl)c1 1461799124 UHNHYJNVXUOPCM-UHFFFAOYSA-N 287.815 4.655 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(COC)c(C(F)(F)F)c1 1462413341 LHRQNOLJXQOAEY-LLVKDONJSA-N 287.325 4.618 30 10 CJEE C=CCC[C@@H](CC)NCc1cc(Cl)cc(Cl)c1 1462429219 UZRPKLHZRJBWCX-CQSZACIVSA-N 272.219 4.828 30 10 CJEE C=CCC[C@@H](CC)N[C@H](Cc1ccccc1)C(C)C 1462575393 BRNWXCKHAQZFDK-QZTJIDSGSA-N 259.437 4.588 30 10 CJEE C=CCCCCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 1473516601 OLBPOUAIJFELHI-GOSISDBHSA-N 297.446 4.755 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cc(OC)cc(OC)c1C 1474470060 XTSZTFWATVJKRO-CQSZACIVSA-N 291.435 4.949 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H](CC)CCC)c1ccccc1 1519376460 VFCIRCZFFLVWPA-DOTOQJQBSA-N 273.420 4.636 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)c2ccc(CC)cc2)CCCC1 1532700648 BOVJPFNXKKMYJR-MRXNPFEDSA-N 299.458 4.748 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@]1(C)CCC[C@@H]1CC 1538140452 ZYRHYWIWJSWUPU-LPHOPBHVSA-N 285.431 4.960 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@H](C)[C@H](C)C1)c1ccccc1 1545802300 PNXZTFOUVZYLGI-SCTDSRPQSA-N 299.458 4.631 30 10 CJEE C#CCCCCCCOc1cc(Cl)ccc1C(C)=O 1559428067 OXGKLQWMHKVZMD-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE C#Cc1cccc(N(CCCC=C)Cc2cccs2)c1 1559630035 CLILWQOABPIWNB-UHFFFAOYSA-N 281.424 4.702 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C2CCC2)C2CCC2)C1 1560543102 DPHSIAZOWLPOIK-WMLDXEAASA-N 261.453 4.537 30 10 CJEE C#C[C@H](N[C@H]1CC[C@H](CCC(C)C)C1)c1ccc(F)cc1 1560852664 LGNZEUKGNRFELM-SNRMKQJTSA-N 287.422 4.695 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(F)cc(OC(F)F)c2)C1 1560978474 PJNHPTVOJNQHKL-ZYHUDNBSSA-N 285.309 4.584 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C)c(F)cc2F)c1 1585978092 WVFSRROJPFKZQP-UHFFFAOYSA-N 287.309 4.559 30 10 CJEE C=CCOc1cccc(CNc2cccc(C(=C)C)c2)c1 1621096804 DKZUEDWXCYQEME-UHFFFAOYSA-N 279.383 4.897 30 10 CJEE C#CCN(C[C@@H](C)CC1CCCCC1)C1CCCCC1 1621143237 AKXWVRLPCXVIBG-KRWDZBQOSA-N 275.480 4.861 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C 1652427577 SIMZCCNYXKVRCC-CVEARBPZSA-N 281.484 4.695 30 10 CJEE C=C1CCN([C@H](C)c2cc(Cl)ccc2Cl)CC1 1652449424 LULAQFAWOVGIIJ-LLVKDONJSA-N 270.203 4.706 30 10 CJEE C=CCC[C@H](CCC)NCc1cnccc1C(C)(C)C 1652664041 QAYOWDSSYSNZCK-INIZCTEOSA-N 274.452 4.604 30 10 CJEE C=C(CC)CN[C@@H](c1ccc(Cl)cc1F)C(C)C 1653248017 UOECIFMZQAZDST-OAHLLOKOSA-N 269.791 4.732 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3ccsc3[nH]2)c1 1653376514 PHOSEYLPXMLWPN-UHFFFAOYSA-N 282.368 4.515 30 10 CJEE 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C=C1C[C@@H]1C[C@@H](NCCC)c1cccc2ccccc12 2158694619 KSXKSRAQIJUFIS-VQIMIIECSA-N 265.400 4.847 30 10 CJEE CC(C)(C)C1CC(C[C@@]2(C#N)CCc3ccccc32)C1 2161250339 YLQAOVJTFIHGTD-GSQSYGFSSA-N 267.416 4.857 30 10 CJEE C[C@@](C#N)(Cc1cc(C(F)(F)F)cs1)c1ccccc1 2161272334 DVGDAAZPYRIURH-AWEZNQCLSA-N 295.329 4.791 30 10 CJEE CCC[C@](C)(C#N)[C@@](C)(O)c1ccc(C(C)(C)C)cc1 2164475305 MOBDZWSTDVKMGF-MSOLQXFVSA-N 273.420 4.522 30 10 CJEE CCCCCCCC(=O)[C@H]1CC(F)(F)CC(C)(C)C1=O 2164995457 DVIJJNLNMOARDV-GFCCVEGCSA-N 288.378 4.557 30 10 CJEE Cc1ccc(NCC[C@@H](C(F)F)C(C)(C)C)c(C#N)c1 2167710884 ZNYILRPKKKLYDN-ZDUSSCGKSA-N 280.362 4.596 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)C2CCCCCCC2)C1 2168546652 AUNVZAQGJYYYNU-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE C#CCCCC[C@H](NCCC)c1ccccc1C1CC1 2173468779 NNYZUVNQQWWNPY-IBGZPJMESA-N 269.432 4.798 30 10 CJEE C#CCCCC[C@H](NCCC)c1c(F)ccc(F)c1Cl 2173497185 KAMYGNXCSCYOCY-AWEZNQCLSA-N 299.792 4.853 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1F 2176947680 KKXQVWVFRGFXOB-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCCCCc1[nH][nH]c(=N)c1C 2177835890 PEGWBHYMQADTJR-UHFFFAOYSA-N 279.472 4.984 30 10 CJEE C=CCCCC[C@@H](Cc1cccc(C(F)(F)F)c1)NC 2179681442 MGXXASGUFIWKLO-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc(Cl)ccc2OC)C1 2182161003 UPVAMVHTFUUZIA-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCc2ccccc21 2183313622 HTFKPUVRXRCTPO-RMRDIRSESA-N 265.400 4.611 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1 2183397128 MGEXIUIASQGBAV-XMTFNYHQSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](O)C(=O)CC12CCC(CC1)CC2 2184930264 LBGGIFRVIHLXFD-UPTPFMHGSA-N 280.452 4.637 30 10 CJEE CN(CC12CCC(CC1)CC2)c1ccc(C#N)c(Cl)c1 2185002505 IQJWCDHEOBVSLI-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CC[C@@H](CCC(C)C)N(C)[C@H]1C[C@H](CC)CC[C@@H]1C#N 2186013446 PFIBAPXPSXSTRP-BDXSIMOUSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCCNCc1nnc(C2CC2)s1 2186521234 MTVMMESLPXBIQS-UHFFFAOYSA-N 295.496 4.646 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]3CC[C@@H]3C2)CCc2ccccc2C1 2188994689 GGZRVSLJZQGPSU-RMRDIRSESA-N 265.400 4.512 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H](OC)[C@@H]2C1 2190423788 QKEZATBRWQXEDM-TVFCKZIOSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](C[C@]1(C)CCCOC1)NCC 2192708525 AEPBBKOCRGZPGI-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCC1CCC(COC2(C)CCC(=NO)CC2)CC1 2193083156 UEYXZJIVHRGTFB-UHFFFAOYSA-N 281.440 4.772 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]23CC[C@@](C)(CO2)C3)CC1 2193710062 LFSXMQKCMRHUFT-SQNIBIBYSA-N 275.436 4.836 30 10 CJEE C=CC1(C[S@@](=N)(=O)c2ccc3ccccc3c2)CCC1 2194119398 VSILTIMQNVHZAB-HXUWFJFHSA-N 285.412 4.602 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@H](C1)O2 2195538121 ACCUUGYPKWZTCE-BCDXTJNWSA-N 281.484 4.626 30 10 CJEE CC#CCCCCN(CC)c1cccc2ccccc12 2196212830 GXJUIMICRDBBLT-UHFFFAOYSA-N 265.400 4.860 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 2200048103 NNGHFZTUGVGCFO-YSHGAJCASA-N 271.448 4.761 30 10 CJEE CCC[C@@H]1C[C@@H]1[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 2200487417 FYYIRIKWJSNUOW-ILXRZTDVSA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@H](CC12COC(C)(C1)C2)NCCC 2202716976 DQLMCODHBUJIHX-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2CC1 2203825089 WDZSHYPHZKTIPH-RDGPPVDQSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CCC2(CCC2)O1)NC 2206884754 IOPXSHGPAUDZAH-DLBZAZTESA-N 279.468 4.593 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)C(=O)CCC2 2206897157 LRWIYJLIHJEBAV-UHFFFAOYSA-N 272.388 4.721 30 10 CJEE C=CCCCCCC[C@H](CC[C@H]1CCCO1)NCCC 2206902391 JUOIKCHAZBFLFH-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN(C)C[C@H](OC)C1CC1 2207372092 CZILBRKPQNKPNX-SFHVURJKSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)CCCC1CC1 2207374225 OLFQNBDCLATCOM-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1CC(C)(C)CO1 2207426578 DFCGEEFDQTXFNE-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H]2C[C@@H]21 2207440712 YSSJREUNRIOMEV-MHORFTMASA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1(O)CC(CCC)C1 2207440986 ZHWKJGGTUAETOT-LXPRWKDFSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C=C1CCCC1)NCC 2207444859 MWPBFCIQLGGIRO-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCC)[C@H]1CCC1(C)C 2207447673 YENBGDFCDBKNJJ-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H](P(C)(C)=O)C1 2208738183 AJUIABXGIRFUSM-CVEARBPZSA-N 285.412 4.646 30 10 CJEE C=C1CC([C@H](NC)c2cc(Cl)cc(Cl)c2Cl)C1 2214636234 ZVMOAKNQZIRZMH-ZDUSSCGKSA-N 290.621 4.874 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](SC)C1CC1 2215484293 IHCGHOREFWJZDD-HNNXBMFYSA-N 254.439 4.614 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC[C@@H]2CC[C@@H]21 2220084956 VJPCQZAHDULLOQ-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ncc(CC)s1 2220093972 UBXGPIWMFJVYMN-CQSZACIVSA-N 267.438 4.656 30 10 CJEE CCCCCCCCCCOc1nccnc1Cl 2223233687 IVVCAYWUSOETRS-UHFFFAOYSA-N 270.804 4.650 30 10 CJEE CCCCCCCCCCOc1cncc(Cl)n1 2223235420 SXRZUTTZDXFLKF-UHFFFAOYSA-N 270.804 4.650 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C1CCC1 2225687490 HIKIUGJBDGJBFY-RNCFNFMXSA-N 296.197 4.606 30 10 CJEE C=C[C@@](N)(CCCCCCC1CC1)c1ccccc1 2225778173 NXBBLQOPCJWMQM-GOSISDBHSA-N 257.421 4.777 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](C)OCC(C)C 2227268126 MPWHNCMTAGXNAF-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CC[C@@H](COC)C1 2227280456 BSNNNHVFLRULPA-HZPDHXFCSA-N 266.425 4.535 30 10 CJEE CCCCCCCCCOC[C@H](NC)c1cccs1 2230989611 KPQWQOUCAAIXKA-HNNXBMFYSA-N 283.481 4.776 30 10 CJEE CCCCCCCCCCCOc1ccnc(O)c1 2231024222 YYRZWKJNNQBULI-UHFFFAOYSA-N 265.397 4.697 30 10 CJEE C=CC[C@H](CNC1CCC1)[C@@H]1CCC2(CCCC2)C1 2231499983 NKUMIOLMILPWPD-HZPDHXFCSA-N 261.453 4.681 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(F)cc1Cl 2231515429 XIXQQBMEMWVTHE-LRDDRELGSA-N 283.818 4.602 30 10 CJEE CCc1cc(Cl)ccc1Nc1ccc(C#N)cc1F 2231796966 QJQIXFHGSDEWSK-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H](C)c1ccc(C)cc1 2232075649 GSBVFBZTDIMUJS-AEFFLSMTSA-N 259.437 4.823 30 10 CJEE C=C[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccccc1 2233578131 PEEUPNPXSNIIMN-VUHPKUFZSA-N 269.432 4.633 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc(C(C)(F)F)cc1 2233799343 RHLAAFMZMRCVRC-MRXNPFEDSA-N 279.374 4.643 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@@H](C)[C@@H]1C 2235525605 CAHCOUWFUVOPFV-RYRKJORJSA-N 280.452 4.659 30 10 CJEE CCCCCCCCCCN1CCC([C@H](C)C#N)CC1 2236746090 IUNBRGSMOKXYBK-QGZVFWFLSA-N 278.484 4.999 30 10 CJEE CCCOCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 2238127907 JIKFPWXDVQCMBV-HRCADAONSA-N 297.508 4.891 30 10 CJEE Cc1ccc(N[C@H]2CCC[C@H](C(C)(C)C)C2)cc1C#N 2238151917 UIXGUWHCVQWQEF-HOTGVXAUSA-N 270.420 4.884 30 10 CJEE C#CC[C@H](C[C@@H](CCCC(C)(F)F)NCCC)C1CC1 2238195607 VQZXVYRVFBTGAS-HZPDHXFCSA-N 285.422 4.620 30 10 CJEE CC(C)N[C@@H](C#N)CCSCCCCCCCC1CC1 2239365024 JJMJMDIBFJLELY-QGZVFWFLSA-N 296.524 4.750 30 10 CJEE CN(CCCCCCCC1CC1)c1ccccc1C#N 2239411193 NADKMKFHCVZQAL-UHFFFAOYSA-N 270.420 4.745 30 10 CJEE CCCCCCCCCCOCC[C@H]1CC[C@@H](C)CN1 2239485231 ZWTDOVRFWZGXLN-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOCc1ccoc1C(=O)O 2239499973 NJESVOSXJMNXTE-UHFFFAOYSA-N 282.380 4.635 30 10 CJEE CCCCCCCCCCCCO[C@H]1CC[C@H]1C(=O)O 2239502384 UARATSRLXWBZAW-CVEARBPZSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCO[C@@](C)(CC1CCC1)C(=O)O 2239516165 RLNCUZKLJKGFNL-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCCCOC[C@@]12CC[C@@H]1CNC2 2239552269 YCJXHHHRVAIITF-MSOLQXFVSA-N 281.484 4.533 30 10 CJEE C=CCCCCOc1cc(Cl)ccc1CNC1CCC1 2240042292 HPEIWFMKALLRGR-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1ccc(C2CCC2)cc1 2240378638 AZKOGTCYGCRBRF-UHFFFAOYSA-N 276.326 4.882 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC(C)(C)[C@@H]1C 2240566500 RMIVJVPIGIQRCD-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)c1c(C(C)C)cnn1C 2240617310 CUIVIZYCSAXMQW-QGZVFWFLSA-N 280.456 4.502 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CC[C@@H]1C[C@H]1C)NC 2240639435 FIDIQLRVSDMIIE-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]1(O)CCC(C)(C)C1 2240665687 FZRKLLQZVIAKNP-SJLPKXTDSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CCC1CC1)NCC 2240666217 KWMSHBFBWNOHHB-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H]1C[C@@H]1C)NCC 2240667380 VSCINFCNFPOHJM-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](N)c1cocc1Br 2244213729 JHPSSVFVYJCANE-ZDUSSCGKSA-N 288.229 4.793 30 10 CJEE C[C@H]1C[C@H]1CCCCC1(C#N)CCC(F)(F)CC1 2254529692 JCSDMIXKMLXNMX-QWHCGFSZSA-N 255.352 4.922 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(F)cc1Cl 2259176737 QGNCYHQJGMDCDH-OAHLLOKOSA-N 269.791 4.790 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H]1C(C)(C)C 2259231250 GYHCJPUGTKAAHB-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccsc1C(F)(F)F 2259233586 QAOKCKXMANLUNF-LLVKDONJSA-N 277.355 4.903 30 10 CJEE C=C(C)CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O 2259238840 KGOPCRYGSYGXDN-ARFHVFGLSA-N 252.442 4.946 30 10 CJEE CC1CC2(C1)CC(Sc1cccc(Cl)c1C#N)C2 2260482478 MDQMLBQWSUOPSZ-UHFFFAOYSA-N 277.820 4.882 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C1CC(CC(C)(C)C)C1 2261204744 XEVPVDQUFYGAGA-PRLABOORSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@@H](OCCCN)C(C)(C)CC 2262867879 JKTPYBDSRJZFBK-OAHLLOKOSA-N 257.462 4.517 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264986754 CFSCWUWMRGXBPL-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CCC1(CC)CC(Nc2cc(C)c(C#N)c(C)c2)C1 2265862906 WKIJLNYUHFWDTC-UHFFFAOYSA-N 256.393 4.556 30 10 CJEE CC1(C)CCC[C@@]1(C=O)C[C@H]1CC(F)(F)C12CCC2 2266116475 HHTFXHVYRQJJQK-JSGCOSHPSA-N 270.363 4.597 30 10 CJEE C=CC1(C[C@H](NC)c2ccc(CCC)cc2)CCC1 2268208951 AOUMPYFQNZPPAR-KRWDZBQOSA-N 257.421 4.646 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2268750862 QBUUQPHLBXCPSJ-MRXNPFEDSA-N 275.823 4.596 30 10 CJEE COc1ccc(CCCC=CC#CC(C)(C)C)cc1 2268753265 UWCSJARRNMDQBL-UHFFFAOYSA-N 256.389 4.624 30 10 CJEE N#Cc1ccc(SC2C[C@@H]3C[C@H]3C2)c2ccccc12 2270150092 IEXGWZDWYXHUCM-STQMWFEESA-N 265.381 4.602 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(F)ccc1F 2271786593 ZFZSRDYMYPTCPP-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE N#Cc1ccc(NC[C@]23CCCC[C@H]2CC3)cc1Cl 2273365345 YFCLLUSQARPKIW-XJKSGUPXSA-N 274.795 4.594 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H]1CC(C)(C)CCC1(C)C 2274534203 YRFMWIVJZNOSKL-LSDHHAIUSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)C(C)=C(C)C 2275312985 FDTRXMAXPDXBAI-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@](CC)(CCCCC)OCCN 2276219092 HUCYBTLQNXZTPX-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC1(C)C 2277214499 WVKXTRBXQHEWBN-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CCCC[C@@H](NC)c1ccc2cc(Cl)ccc2n1 2277650524 MQRVODHBCHSUAX-OAHLLOKOSA-N 274.795 4.505 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@H]1CC[C@](C)(CC#N)O1 2277878436 UTAGITPHFBFIBH-BXKDBHETSA-N 289.322 4.599 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COCC[C@@H]1C 2278236720 NUAPYWNREDMCSF-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H]1CCCO1 2278241996 XYBKPJJASQNNBH-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=CC1(C=C)COCCN1CCCCCCCCCC 2279287591 XVHODWUDNVLRDR-UHFFFAOYSA-N 279.468 4.570 30 10 CJEE CC1(C)CCC[C@@H](CNc2c(F)cccc2C#N)CC1 2280479938 HVUJARBKOMAIRE-CYBMUJFWSA-N 274.383 4.716 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)c1cc(C)cs1 2287390460 PTJRTPGWGKQBOF-RDJZCZTQSA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@H](O)Cc1ccc2ccccc2c1 2287401383 SCONPYLYGVHIRY-IBGZPJMESA-N 268.400 4.880 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](C2CC2)CS1 2287887003 XBASVMVHTBMWIZ-HOCLYGCPSA-N 296.524 4.558 30 10 CJEE C=CCCCCCCCCn1cc(C(=O)C(C)C)cn1 2288005225 JEYIIJDIDRFATC-UHFFFAOYSA-N 276.424 4.639 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1ccc(C)cc1 2289700061 IRQXKJNKSLNYTJ-IBGZPJMESA-N 269.432 4.619 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1(C)CCCCCC1 2289716948 WRYSGXWIYCRCIT-GOSISDBHSA-N 275.480 4.909 30 10 CJEE C[C@@H](CCS)CCN(C)Cc1cccc(C(C)(C)C)c1 2290192090 IIAIIIQBZQQPEL-OAHLLOKOSA-N 293.520 4.762 30 10 CJEE CCC[C@@H](CS)CN(C)Cc1cccc(C(C)(C)C)c1 2290203270 VCQHUQAEEQPDCL-MRXNPFEDSA-N 293.520 4.762 30 10 CJEE CC(C)(C)C#CCCNCc1cccc(C(C)(C)C)c1 2290284861 NVFMHRGQBLIAFJ-UHFFFAOYSA-N 271.448 4.513 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCC(=O)O)[C@H](C)CC(C)C 2292316534 TVBVJZSFAXVRIG-UXLLHSPISA-N 284.440 4.521 30 10 CJEE C=CCCC[C@]1(OCCCN)CCC[C@H](CC(C)C)C1 2292726316 IRMOJBYFZVSTBU-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CC#CCCC[C@H](CCCCCCCCC)OCCN 2292864239 UCKXMFRSENIYCX-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@H](CCC1CC(F)C1)OCCCN 2293853534 ARLYMOGKDPSEDL-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=C(C)CCCC[C@](CCC)(OCCN)C1CCCC1 2293903208 FRMWVFXNOMTKDU-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C[C@H](C1CCC(C)(C)CC1)N(C)Cc1ccsc1C#N 2294724517 FPOMDUOPBDOHHE-CYBMUJFWSA-N 290.476 4.656 30 10 CJEE C=C1CC([C@@H](NCC)c2ccc3cccc(Cl)c3n2)C1 2294948097 NHMUGXMSHJHPIL-QGZVFWFLSA-N 286.806 4.505 30 10 CJEE C=C1CC(C[C@@H](Cc2ccc(Cl)c(F)c2)NCCC)C1 2295296043 IRPZQORPIGDSOD-OAHLLOKOSA-N 295.829 4.746 30 10 CJEE CCCCC#CC[C@H](NCC)c1nc2ccccc2s1 2295379936 DYZDZJDTERFVPT-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ccc3scnc3c2)CC1 2296132496 YYRVMRCSOPNHFW-LBPRGKRZSA-N 285.412 4.862 30 10 CJEE CCc1ccc(C=C2CC[C@@H](C3CCCC3)C2=O)cc1 2297334125 FIBOWLAQFMCLBQ-SFHVURJKSA-N 268.400 4.802 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(Cl)cc1C 2301050187 HEBFKUIUXWDERF-UHFFFAOYSA-N 250.769 4.856 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)c(F)c1 2304124372 CZBZGSRJYSUYPW-UONOGXRCSA-N 256.748 4.505 30 10 CJEE FC1(F)C[C@@]1(CS)CSCCCCCC1CC1 2306941994 BGMCGYZHPFCBIR-GFCCVEGCSA-N 280.449 4.645 30 10 CJEE C=CCC(CC=C)Sc1sc(CNC)c(C)c1C 2313695618 NZGZROPQASCDMI-UHFFFAOYSA-N 281.490 4.697 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)ccc(C)c1Cl 2313999994 VGUAZNKGHWVSEP-ZDUSSCGKSA-N 269.791 4.924 30 10 CJEE CCCCCCCCCC[C@H]1CCNCC1(F)F 2316683787 QRTZCMNSGLTUAD-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE CO[C@@H](CSCCCCCCS)c1ccccc1 2320580088 GZWSRXPBAPHRQY-HNNXBMFYSA-N 284.490 4.598 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(Sc1ccccc1)C2 2321759550 UMERDZXKBANAGW-UHFFFAOYSA-N 257.402 4.641 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1C(F)(F)F 2329287134 JTZZEUJYKKAAGX-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE C=CCCC[C@@H](C[C@@H]1C[C@H]1c1ccccc1)NCC 2332779816 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10 CJEE CC#CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341110872 POGCUJPZWUGDTO-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C=CCCCCCCCCCNN(CCC)CCC 2341273902 WOLZVMRPNAODAM-UHFFFAOYSA-N 268.489 4.920 30 10 CJEE CCC(=CC(=O)Cc1cc(F)ccc1C1CC1)CC 2341755008 ASPJCAIDXYVZQL-UHFFFAOYSA-N 260.352 4.561 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CC[C@@H]2C(C)(C)C)CCC1 2343078410 RQPZNRIFTNZONA-PMPSAXMXSA-N 263.469 4.783 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C#N)CCOC(C)(C)C2)CC1 2343390581 WMYLZXBLJQEXDF-WBVHZDCISA-N 261.409 4.612 30 10 CJEE CCCCCCCCCCOC[C@@H]1C[C@@H](C)CCN1 2343575524 WXPCWETXICORIY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1CC(F)(F)C12CCC2 2344381532 NHFFTLRPMMCHML-IHRRRGAJSA-N 271.395 4.522 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccccc1C1CCC1 2344458748 BFROIMCEYORNCN-QZTJIDSGSA-N 258.405 4.980 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCCCCCC)NN 2344472973 GAHIIWVKZJVCFE-IRXDYDNUSA-N 268.489 4.951 30 10 CJEE CCC[C@H]1CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352067468 FNILIRHXMIJLGH-DOTOQJQBSA-N 285.541 4.871 30 10 CJEE CCCCCCCCCC[C@H](O)CC1=CCCOC1 2353534677 PZPPGGNVUCTXPY-KRWDZBQOSA-N 268.441 4.615 30 10 CJEE C=CCCCC[C@@H](O)C1CCC(CC(F)(F)F)CC1 2353611045 RRLPAUIPPQIKLE-JXQTWKCFSA-N 278.358 4.853 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCCCCC12CC2 2353844679 DKXJYIIJTWUGAX-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE CCCCCN(c1ccc(C#N)c(SC)c1)C(C)C 2353848282 HMBFBHVMUQPCBR-UHFFFAOYSA-N 276.449 4.685 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1O2 2353901859 RDNQJJVPRMAKKH-XLAORIBOSA-N 281.484 4.673 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2354779761 WOFPMLLNOGODDM-IBEHDNSVSA-N 285.422 4.638 30 10 CJEE CCCCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1F)OCCN 2360179631 JGUNMNPMHQLEEG-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=CCC(CC=C)Sc1cc(F)cc(CNC2CC2)c1 2360369969 AKWMSHZYUANMLI-UHFFFAOYSA-N 291.435 4.691 30 10 CJEE CC[C@H](C)COc1ccc(-c2ccc(C#N)cc2)cc1 56904 WBUQBWQWNDKJJR-AWEZNQCLSA-N 265.356 4.650 30 10 CJEE CC(C)Cc1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1 20564052 SLPOOQRPLGLXHO-OAHLLOKOSA-N 278.399 4.930 30 10 CJEE C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)s1 35237049 AUMMHCFEWIRCML-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE CCCC(CCC)Nc1ccc(C#N)cc1C(F)(F)F 36973684 VFHGBSCXUCWUOV-UHFFFAOYSA-N 284.325 4.958 30 10 CJEE Cc1ccc(SCCCOc2cccc(C#N)c2)cc1C 37143637 NJNIYACORORCLO-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(F)c(Cl)c1 51635732 AEIXFIBNBPGQLU-VIFPVBQESA-N 292.716 4.663 30 10 CJEE N#C[C@H](Cc1cccc(F)c1)c1c(Cl)cccc1Cl 57750113 PUDKTUYGWRSJBR-NSHDSACASA-N 294.156 4.982 30 10 CJEE CCCCCCCCCOc1ccccc1[C@@H](C)N 59088185 QXJTXCXVHLFXCX-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC)cc1Cl 59332696 ZVJCCZIYZRJERA-OAHLLOKOSA-N 269.816 4.709 30 10 CJEE Cc1ccc(/C=N/c2ccccc2/N=C/c2ccc(C)o2)o1 59513777 FRJJBYUORUFJTR-AYKLPDECSA-N 292.338 4.991 30 10 CJEE O=[N+]([O-])c1ccccc1/N=C/c1cccc(Cl)c1Cl 59519161 OAHYEZVDCXQCMZ-LZYBPNLTSA-N 295.125 4.652 30 10 CJEE Cc1cc2oc(CC#N)c(C(F)(F)F)c2c(C)c1Cl 77071690 MVXZAUPETWJRDB-UHFFFAOYSA-N 287.668 4.788 30 10 CJEE CCCCOc1cccc(-c2cc(CC#N)c(CC)o2)c1 77077054 KPBVPKBQPBLIJD-UHFFFAOYSA-N 283.371 4.754 30 10 CJEE C=C(Cl)CNc1ccc(C(F)(F)F)cc1Cl 82523198 UMHGNZDHNYVIHX-UHFFFAOYSA-N 270.081 4.523 30 10 CJEE CC[C@@H]1CC[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91886600 MHKRGKFFGJECQD-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCC[C@@H](C(C)C)CC2)CC1 91903477 ABSUTXJGITVBEV-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE CCC(CC)(CS)COc1c(C)cc(C)cc1C 94585562 LWJBZQMPKSOUIK-UHFFFAOYSA-N 266.450 4.727 30 10 CJEE SC[C@H](CSCc1ccccc1)c1ccccc1 94589026 GHEOOYSFIAWYIC-MRXNPFEDSA-N 274.454 4.633 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCc2sccc21 97284048 UILWIBJIDZIXFI-HOCLYGCPSA-N 277.477 4.893 30 10 CJEE CC(C)COc1ccc(C[C@@H](C)CS)cc1C(C)C 107593636 GSXVFKKLNGTMOX-CQSZACIVSA-N 280.477 4.953 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)cc(F)c1 109713371 XDZDTFFYWWCQCX-OAHLLOKOSA-N 256.336 4.749 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC(C(C)(C)C)CC1 110026213 QXOQBRIJYOCPLB-LJQANCHMSA-N 296.543 4.822 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCC(CC)CC2)C1 110264204 YYVUQCBUWYMFGG-ZKJCDFIUSA-N 290.495 4.996 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](C)(CC)N1CCCC1 118160776 FNBLJMXNQREKAZ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CCO)C1 124313099 PCORVBWCTLXHNW-GOSISDBHSA-N 283.500 4.612 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C[C@H](C)N 125071024 QEFYWLPJONFNQB-ZDUSSCGKSA-N 283.843 4.579 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCO[C@H]1C 125080803 ZETGRWCDBQTFAE-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)NC2CCCCC2)CC1 130060798 OEVYEXRZPZNDES-VMBOVVBDSA-N 276.468 4.653 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1Cc2ccccc2S1 135385709 ATEBQMCVKJNBGJ-DOTOQJQBSA-N 278.461 4.815 30 10 CJEE CCSc1cccc(N[C@H]2C[C@H]2c2ccccc2)c1C#N 136652574 IBMRIMYNLWLNAT-YOEHRIQHSA-N 294.423 4.638 30 10 CJEE C[C@@H](/N=C/C(F)(F)c1ccccc1)c1ccccc1 142873629 ZUAUMPRCQQBOLV-KZKLBEMASA-N 259.299 4.610 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)C 156196427 DYHYJSCLLMRMMO-BRWVUGGUSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@H](N)c1c(F)cccc1Cl 158092852 RFFSWQMNZPEOOT-ZDUSSCGKSA-N 257.780 4.839 30 10 CJEE C=C(C)CC[C@H](CSc1ccccc1)NCCC 164612732 FCJVPFYRCAVKJQ-OAHLLOKOSA-N 263.450 4.503 30 10 CJEE C=C(C)CCSc1cccc([C@H](C)NCCC)c1 164863586 DKMXIPIRKCAXCY-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)CCCOC1 203411067 QUXMHXBSHFCBJW-SFHVURJKSA-N 281.484 4.676 30 10 CJEE CC1(C)Cc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)c1 213101607 HLFQOQHKTVSVMW-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 218369071 DASGBFIDKONAER-IHRRRGAJSA-N 252.398 4.506 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](n2c(C)nc3ccccc32)C1 222226215 ZKVGNYQPFXIGRZ-VKJFTORMSA-N 281.403 4.626 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCCCS 227281462 HTYLPPOEWPWXPW-OAGGEKHMSA-N 272.498 4.954 30 10 CJEE N#CC1(Cc2cccc(Cl)c2Cl)CCCC1 228940599 ILPBUTHPMKOMRC-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CN(C)CC 231860326 MWIRABJCOOSLAF-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=CCCCCC[C@H](CCCc1ccccc1)NC 234447137 WQHRNAPYIAWOML-GOSISDBHSA-N 259.437 4.734 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1NCC 250809186 GUOFFGCPGHLOHS-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCC(=NO)c1ccc(O[C@@H]2CCC[C@H](CC)C2)cc1 252464190 KXDSFWKJGZALMA-XJKSGUPXSA-N 275.392 4.623 30 10 CJEE CCSc1cccc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1C#N 252826439 UQPHLTYEOMIISF-MELADBBJSA-N 286.444 4.518 30 10 CJEE CC(=NO)c1ccc2c(c1)Sc1ccccc1S2 257149553 KCDSNOXSQOCEFY-UHFFFAOYSA-N 273.382 4.501 30 10 CJEE N#CCCc1cccc2ccn(C3CCCCC3)c12 260124015 SZNLWRLJBHUXDO-UHFFFAOYSA-N 252.361 4.603 30 10 CJEE CCCCCCCCNc1c(N)ccc(Cl)c1F 306015348 KZCQCQOMMDXWJI-UHFFFAOYSA-N 272.795 4.834 30 10 CJEE CCCC1CCC(c2nc(CCC#N)cs2)CC1 306041591 NILUPTYVSLGFFQ-UHFFFAOYSA-N 262.422 4.673 30 10 CJEE CC1CCC(C#N)(c2ccc(C(F)(F)F)cc2)CC1 311337131 JAIPFVYWAJRWQV-UHFFFAOYSA-N 267.294 4.677 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C1CCCCCCC1 311340893 PAESDHPYAAYTJJ-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC(C)C(CNc1ccc(C(C)(C)C#N)cc1)C(C)C 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CCCCCCCCCCN[C@@H](CO)C1CCCCC1 395323926 NJPOVNRMXYUURA-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCC[C@@H](O)CCOC(C)C 395380473 QDWOAIXTMZPUSS-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE CC(C)CN(C[C@H](C#N)C1CCCCC1)C1CCCC1 397222648 PTEBAYIYGWLNHL-KRWDZBQOSA-N 276.468 4.607 30 10 CJEE C=C(C)CON[C@@H](CC)c1ccc(Cl)cc1Cl 400934282 PVDULEKMHBLEAH-ZDUSSCGKSA-N 274.191 4.542 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@@H](CC)CC(F)(F)F 402550751 FYHVYBSBQDAELS-OLZOCXBDSA-N 265.363 4.545 30 10 CJEE N#Cc1cccc(Nc2ccc3c(c2)CCCCC3)c1 404683753 FBRTWEKHDNECFH-UHFFFAOYSA-N 262.356 4.571 30 10 CJEE C=C(C)CCSCc1coc(-c2ccc(F)c(F)c2)n1 507115398 IHOGJAMUJLGKJD-UHFFFAOYSA-N 295.354 4.819 30 10 CJEE C=CCN(C(=O)c1cc2sccc2s1)c1ccccc1 617961388 SDWAZIOJRINCAO-UHFFFAOYSA-N 299.420 4.796 30 10 CJEE CC1CCC(CC/N=C2/NC3(CCCC3)CCS2)CC1 687320345 WNAALYKXKZQMIQ-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H](C)CC(F)F 687860077 UCSDCNRFYKAPHX-OLZOCXBDSA-N 250.373 4.779 30 10 CJEE N#Cc1ccc(Nc2ccc(C3CC3)cc2)cc1Cl 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C[C@](C#N)(CC1(c2ccccc2)CC1)c1ccccc1 704064708 NOYOUNZWUVXUJN-GOSISDBHSA-N 261.368 4.590 30 10 CJEE CCC(CC)(CS)CN1CC[C@@H](C2CCCCC2)C1 708804905 ZUCRJQBJZPPMPY-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nc(C)sc1C 709353189 NCHYNEVOKYPOGG-KCPJHIHWSA-N 278.465 4.545 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C(C)(C)c1ccc(F)cc1 710480412 RSQACZPUQWBSFQ-OAHLLOKOSA-N 283.818 4.614 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCCC[C@H]1C 710679472 POZXBPWDJJQZIB-DOMZBBRYSA-N 257.849 4.714 30 10 CJEE C=CC[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl 715037037 BPZBIQJUKFNSPU-QMMMGPOBSA-N 263.690 4.735 30 10 CJEE C[C@H](N[C@H]1CCCCCC1(C)C)c1ccc(C#N)cc1 719215629 SUGDMLAIVHTOTI-YOEHRIQHSA-N 270.420 4.568 30 10 CJEE C=C1CCC(C[C@@H](N)CSc2ccccc2C)CC1 724546133 WLKFUIHZWHXIHB-MRXNPFEDSA-N 275.461 4.551 30 10 CJEE C=C1CCC(C[C@@H](O)C(CC)(CC)C(F)(F)F)CC1 724586130 MIFCBRGHJUDBPN-CYBMUJFWSA-N 278.358 4.853 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccoc2C)CC1 724588583 KNILCLQFJSPWKO-KRWDZBQOSA-N 261.409 4.765 30 10 CJEE 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4.774 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@H]2CCC[C@@H](CC)C2)C1 2103348568 QNMPEAMFPPXPBS-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CCCCCCCCN[C@@H]1CCCO[C@@H]1C(C)(C)C 2103984876 VWRZFCBTGWJFLO-CVEARBPZSA-N 269.473 4.530 30 10 CJEE C=C1CCC(CC(=O)c2ccc(OC)c(Cl)c2)CC1 2107082304 XLQVZJZXOYUVBR-UHFFFAOYSA-N 278.779 4.668 30 10 CJEE N#Cc1cc(NC[C@H]2CCC=CCCC2)ccc1Cl 2107478160 MDOAMRGBDYUQPR-ZDUSSCGKSA-N 274.795 4.760 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1c(F)ccc(F)c1Cl 2107859532 WGIFPQMQNRSBKK-ZUZCIYMTSA-N 287.781 4.871 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc(C(F)(F)F)cs1 2107900616 WSHOQJIYDXSSMX-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(OC)cc1Cl 2107952977 UHGMFJPOJFIGJU-MRXNPFEDSA-N 281.827 4.746 30 10 CJEE CCCN[C@H](C#C[Si](C)(C)C)c1cc(C)cc(Cl)c1 2108004095 MYXIOQSGSNQAAU-MRXNPFEDSA-N 293.914 4.570 30 10 CJEE C=CCCCCC[C@H](NCCC)c1nc(C)c(C)s1 2108007125 RMRXVRSJCQXOGM-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE CC(C)c1ccc(C[C@]2(C#N)CCC23CCC3)cc1 2110492796 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CJEE CCCCCCCCC[C@@]1(N)COC2(CCCC2)C1 2122428008 HJFCLPNEVADKBI-INIZCTEOSA-N 267.457 4.558 30 10 CJEE CCC1=CC[C@H](C[C@@H]2CCCC[C@H]2C(F)(F)F)C1=O 2122555953 HRANWUXJCOKWKW-YNEHKIRRSA-N 274.326 4.671 30 10 CJEE CCCCCCCCC[C@@H](N)C1C[C@H](C)O[C@@H](C)C1 2125080661 JOBZQYZWXPHFIG-YQQAZPJKSA-N 269.473 4.658 30 10 CJEE CC1(C)CC2(CC(Nc3ccc(Cl)c(C#N)c3)C2)C1 2125127315 HDEIHSJXIBFKLB-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@H]2CCC23CCC3)CC1 2125180649 MOCPNPWGBFEBKU-GDBMZVCRSA-N 260.421 4.908 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@@H]2CCCCCC2(F)F)CC1 2125217039 PTEZNLDEJPHZQQ-JSGCOSHPSA-N 270.363 4.908 30 10 CJEE C=C1CC(C[C@@H](NCC)c2cc3c(s2)CCCC3)C1 2125734629 ALJNNUUMMZZNTP-OAHLLOKOSA-N 275.461 4.634 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C23CCCC2CCC3)CC1 2127361434 DVQJKMVCPUPQMI-MXWWQKGMSA-N 260.421 4.908 30 10 CJEE N#Cc1ccc(Cl)cc1OCC12CCC(CC1)CC2 2128510468 YRNXRQFSSLVCSA-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE CCCCCCCCCC(OCC)(OCC)OCC 2131431702 AGGJWJFEEKIYOF-UHFFFAOYSA-N 274.445 4.890 30 10 CJEE CCCCCCCCC[C@]1(N)CS[C@H](C(F)(F)F)C1 2132716289 ZFPFVZUYYARYCJ-QWHCGFSZSA-N 297.430 4.892 30 10 CJEE CC1(C)CCC[C@H](C[C@@]2(C#N)CCCOC2(C)C)C1 2138428941 ASHYZQZORRMPHA-WMLDXEAASA-N 263.425 4.692 30 10 CJEE C=CCCCCOc1cc(Cl)ccc1[C@@H](C)NCC 2138548863 VWXIJAPDEGTLHO-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCC#CC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 2138981131 KFADWDFGFKXIPL-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@@H](N)c1cc2ccc(F)cc2s1 2138986579 JZNQVFCMVMZOLA-CQSZACIVSA-N 275.392 4.624 30 10 CJEE CCCCC#CC[C@@]1(CNCCC)CCCC[C@@H]1C 2138990796 OSTYDVFGYPKCMX-ROUUACIJSA-N 263.469 4.766 30 10 CJEE CCCCC#CC[C@@H]1CC(C)(C)CC[C@H]1CNCC 2138998207 ANCZTUAJWJBHPV-SJORKVTESA-N 263.469 4.622 30 10 CJEE CCCCC#CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2139049332 UEPSYPLCTZGLTH-GVDBMIGSSA-N 260.421 4.746 30 10 CJEE CN(c1cccc(Cl)c1)c1cc(Cl)c(C#N)cc1F 2139573373 PFQGHKNRRYDVLD-UHFFFAOYSA-N 295.144 4.772 30 10 CJEE Cc1cc(F)c(Cl)cc1N[C@@H]1CCCCC[C@H]1C#N 2141473480 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CCCC1CCC([C@@H](O)CC#CC2CCCCC2)CC1 2149848878 CQXZFXDKLVTAHM-KVZIAJEVSA-N 276.464 4.928 30 10 CJEE CCC[C@@H]1CCC[C@@H]1N=C1N[C@@H](C2CCCC2)CCS1 2152918416 BHFPDPYAHYABJN-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE C=C([C@@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(C)(C)C 2152932182 FBUNDYNOBFVRQV-NCCNMHLXSA-N 276.464 4.946 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCC)c1cscc1CC 2153578305 MDMCRQYQKWQJLS-SJORKVTESA-N 297.508 4.683 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(OCCC)cc1 2154637011 QSFHTYIAMJGATL-GOSISDBHSA-N 275.436 4.786 30 10 CJEE N[C@H](CC#CC1CCCCC1)c1ccc(C(F)F)cc1 2154705211 CDPOBRLPRGOFNI-MRXNPFEDSA-N 277.358 4.598 30 10 CJEE C#CCCN(C1CCCCC1)[C@H]1CCC2(CCCC2)C1 2155096306 AMKMCEFUMHSGNM-SFHVURJKSA-N 273.464 4.757 30 10 CJEE C[C@H]1C[C@@](O)([C@]2(C#N)CCCC(C)(C)CC2)CC[C@H]1C 2157116832 IKJIJHOWAPHOSE-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE C=C1CCC(C[C@@H](NCC)C23CCC(F)(CC2)C3)CC1 2157487674 JXCUOFJTERIZQN-WWDZGPRUSA-N 279.443 4.773 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(OCCCC)cc1 2158321042 QLCNGBXMYRTNCV-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(F)c(F)c1F 2158321471 UWTQQYVXPSARHC-ZBEGNZNMSA-N 285.353 4.747 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2158332997 MZXSLPGEGAYCQL-XUWVNRHRSA-N 285.422 4.782 30 10 CJEE C=C1C[C@H]1C[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2158690367 XLPQUGGDNVERKK-BBHZTDBLSA-N 273.464 4.667 30 10 CJEE CC[C@@H]1CCC[C@@H](N(C)CCCCC(C)(C)C#N)CC1 2159493334 PCETXMZINYPVGP-IAGOWNOFSA-N 278.484 4.997 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1NCC 2162012251 DBYDLOMBISXYEM-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCC[C@@](C#N)(CC)c1cc(F)c(Cl)cc1[N+](=O)[O-] 2164478442 VGYHERMIBXFCEU-CQSZACIVSA-N 298.745 4.749 30 10 CJEE C=CCN(C1CCCC1)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 2165129905 GBJYAXVDYVJETA-XYJFISCASA-N 274.452 4.526 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCOCC[C@H]1CCC 2165409745 KPIFJWUVTOZXAD-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCC12CCC2 2166769126 QHRKBLWKDZALFV-SFHVURJKSA-N 281.484 4.533 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1[C@H]2CCCCC[C@H]21 2167238568 DUWDXQBWSOJZRK-XDNAFOTISA-N 280.500 4.785 30 10 CJEE C=C1CC(CNCCC)(C[C@]2(C)CCCCC2(F)F)C1 2167979844 UCVOEUMVPYBSTI-HNNXBMFYSA-N 285.422 4.928 30 10 CJEE CC1(C)CCC[C@](C#N)(CC[C@@H](O)c2ccccc2)C1 2168546976 DLNQHMOIOCUZSZ-AEFFLSMTSA-N 271.404 4.610 30 10 CJEE Cc1cc([C@](C)(O)[C@@]2(C#N)CCCCC23CCC3)cs1 2173617303 AEWHPPPWLSNKSL-RDJZCZTQSA-N 289.444 4.518 30 10 CJEE CC(C)(C1CCCC1)[C@@H](O)[C@]1(C#N)CCCCC1(C)C 2173632216 HMQYEAOBOZBIMY-CRAIPNDOSA-N 277.452 4.674 30 10 CJEE CC1(C)CCCC[C@]1(C#N)c1ccc([N+](=O)[O-])c(Cl)c1 2173632473 DHTWFPLRPBZESP-HNNXBMFYSA-N 292.766 4.610 30 10 CJEE CC1(C)CCCC[C@]1(C=O)Cc1nc2ccccc2s1 2173663477 UNNIWQYJIVUBQE-QGZVFWFLSA-N 287.428 4.624 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1CCCCC12CCC2 2173670357 QRILXWDPLNLGBG-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE CCC#CC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 2174094704 AWKAPXDOCFZAMP-QRVBRYPASA-N 277.496 4.724 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NC)[C@@H]1CCC[C@@H]1C 2175526212 IKWIJUCOUIVIJG-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCCCO[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1 2175771441 HGIYQGBYWRGTDQ-KURKYZTESA-N 283.500 4.920 30 10 CJEE CC#CC[C@@H](N)COCCCCCCCCCCCC 2176216901 ULPGIMYOBLDOGS-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C#CCOc1cccc(NC(CC(C)C)CC(C)C)c1 2179337223 VVHYKQACJHKFNV-UHFFFAOYSA-N 273.420 4.571 30 10 CJEE CCCCCCC[C@@H](NC)C1(O)CC(CCCCC)C1 2180064291 GLXQOAFQOQNDNT-LXPRWKDFSA-N 283.500 4.656 30 10 CJEE CO[C@]1(C(F)(F)F)C[C@H](CC2(C#N)CCCCCC2)C1 2182003274 BUYPUHATLRKWDW-XBXGTLAGSA-N 289.341 4.598 30 10 CJEE CCC(CC)(CC)CN(C)C[C@@H](CS)c1ccccc1 2182324753 PMCNUIQFUTULLY-KRWDZBQOSA-N 293.520 4.848 30 10 CJEE CCCCCCCCC[C@H](NN)C1C[C@@H]2CCC[C@H]2C1 2183410216 JWHSUCWZTCXXRA-BQFCYCMXSA-N 280.500 4.785 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCOCC2CC2)C1 2184391327 MYVREGCOYLTVQU-XHSDSOJGSA-N 295.492 4.501 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@@H]1C[C@H]2CCCC[C@@H]21 2184458119 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C=CCCCC[C@](C)(N)c1oc2ccccc2c1CC 2196596482 YWVJDFHCYLNARA-SFHVURJKSA-N 271.404 4.916 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H]1CCCCC(F)(F)C1 2196858219 MUYRNIARCHCXRO-XHSDSOJGSA-N 285.422 4.620 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2197435279 UMUTVUMGARWZDV-QNVOQPSNSA-N 275.480 4.783 30 10 CJEE CCCCCCCCC[C@H](O)c1nccc(C(F)F)n1 2197704342 NUQAZFPFOATJKJ-ZDUSSCGKSA-N 286.366 4.588 30 10 CJEE N#Cc1ccc(NCC[C@H]2CC3CCC2CC3)c(Cl)c1 2198073438 XYBQRBMYQYOJGU-ZALBZXLWSA-N 288.822 4.840 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H]2C[C@@H]2c2ccccc2)C1 2200380286 DFWCCAYWEQLQMY-SCTDSRPQSA-N 270.416 4.966 30 10 CJEE C=CCOc1ccc(C(=O)C[C@H]2C[C@@H]2C(C)(C)C)cc1 2200456685 XBWYNABZLBNERV-ZBFHGGJFSA-N 272.388 4.506 30 10 CJEE N#Cc1c(Cl)cccc1O[C@@H]1CCC[C@H]2CCCC[C@H]21 2201103623 CLWZOTGLXHQTBS-XJKCOSOUSA-N 289.806 4.949 30 10 CJEE CC(C)[C@@H](C#N)CN(C)CC1CC(C)(C)CC(C)(C)C1 2203190678 SMKJSLFMRJYTOI-INIZCTEOSA-N 278.484 4.566 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cc(F)ccc1C 2203787157 JGJBJPJKYCFNGY-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc2c(s1)CCCC2 2203808199 UDFFVGPQGDWYON-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CCCCCC#CC[C@H](NC)c1csc2c1CCCC2 2203810278 NBOIZEZGGGWQGF-KRWDZBQOSA-N 289.488 4.861 30 10 CJEE C#C[C@H](NCC1CC(C)(C)CC(C)(C)C1)C1CCCC1 2204033653 WCGDXWYAVAASDT-KRWDZBQOSA-N 275.480 4.621 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1ccc(F)nc1 2206885974 OQTYZKKODAVDPR-MRXNPFEDSA-N 278.415 4.788 30 10 CJEE C=CCCCCCC[C@H](NN)C1(C)CCC(C)(C)CC1 2206892252 PUDHQVDJHDOVKG-INIZCTEOSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC(=O)c1ccc2cccnc2c1 2206898225 QRLIIKICMYCIIP-UHFFFAOYSA-N 267.372 4.944 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCO[C@H](CC)C1 2207382704 VFJINZJSGJCOBU-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CCC[C@@H](N)CC1 2207391380 LOVSDWMTHPELAH-DLBZAZTESA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CCCC[C@H]1CN 2207402873 FPUKTNKMICIWBM-IRXDYDNUSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CC[C@H](C)CO1 2207403974 LRABUPCNXDQNPR-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=C1CC([C@H](NCC)c2ccc(C)c(C(F)(F)F)c2)C1 2207496282 SMJYVDPYPUAKCS-OAHLLOKOSA-N 283.337 4.631 30 10 CJEE C=CCCCCCCC[C@H](O)c1ncc(Cl)s1 2214614192 WNAVBCAMXCQWOV-NSHDSACASA-N 273.829 4.747 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cscc1F 2214622200 ITCIRVQEQHDDOO-CQSZACIVSA-N 255.402 4.804 30 10 CJEE C=C1CC(C[C@](C)(O)c2cc(Cl)cc(Cl)c2)C1 2216030043 JMTNWUMEVMRZEG-AWEZNQCLSA-N 271.187 4.557 30 10 CJEE CCCOCCSCCCCCCCCCS 2216236733 QLGFNYIIXHHUAB-UHFFFAOYSA-N 278.527 4.807 30 10 CJEE CCCCCCCC[C@@H]1CCC[C@H]2CNCC[C@H]12 2218426589 UEKJYYYFEPVPRR-IXDOHACOSA-N 251.458 4.763 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(SC)s1 2218436906 CAJYFCYWLBWWLH-LBPRGKRZSA-N 281.490 4.560 30 10 CJEE C=CCCCCCCCN[C@H](C)C[C@H](C)C(F)F 2220081094 BQNRIHLQTZYFJK-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCC[C@H](C)[C@@H](C)CNC1CC1 2220093009 OWPLHVUONUZLMM-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)c1nccs1 2220094837 XGFICKVDFIWJHF-CQSZACIVSA-N 266.454 4.663 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](C)c1cc(Cl)cc(Cl)c1 2222146831 LSDCVFYLFIDVKA-XHDPSFHLSA-N 284.230 4.692 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H]1C2 2223857346 NONXHMXWBQWGCH-LTIDMASMSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncccc1CC 2227275484 MNHUZAUWJGZTPF-INIZCTEOSA-N 260.425 4.561 30 10 CJEE CC1=CC[C@@](C)(CNc2ccc(Cl)cc2C#N)CC1 2229057808 JJRLGABHHDORDU-MRXNPFEDSA-N 274.795 4.760 30 10 CJEE CCSc1cccc(N[C@@H]2CC=C(C)CC2)c1C#N 2229073810 GHJJQXKGEQTAGK-CYBMUJFWSA-N 272.417 4.581 30 10 CJEE CCCCCCCCCC[C@]1(N)CC[C@H]2[C@@H]1C2(F)F 2230383200 AZEQXEOCPYGBFV-KKUMJFAQSA-N 273.411 4.890 30 10 CJEE CCCCCCCN(C)Cc1ncccc1C(C)C 2230859169 PVNRITYEGKXULL-UHFFFAOYSA-N 262.441 4.607 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@@H](C)CNCCC 2230993797 UJUATURUQVPXKU-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)cc1C 2231518459 PBPLTNLCOZJGBA-YOEHRIQHSA-N 279.855 4.771 30 10 CJEE CCCCCCCC[C@@](C)(O)C1(C#N)CCCCC1 2231857194 SEUBOBDZLROIKI-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CC[C@H]1OC 2231898087 FIGQXOXOOMLQCI-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)c1ccncc1 2231924865 JPCLLLCRMLURTP-JKSUJKDBSA-N 262.441 4.871 30 10 CJEE Cc1ccc([C@@H](C)C(=O)C2=CCC(C)(C)CC2)cc1 2232087153 XEQHOOCJCYZSLP-CQSZACIVSA-N 256.389 4.804 30 10 CJEE C=CCC[C@@H](C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)NCC 2233669528 VBYKRAYOMWDLBN-JONQDZQNSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCOCC1(C(=O)O)CCCC1 2234051613 QYIJWOOZPYFVKZ-UHFFFAOYSA-N 282.424 4.565 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](CC)C1 2235538410 IOXOMCXXGAGZPO-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCCC12CCC2 2235541918 MQFCTOGQXGEQJQ-GOSISDBHSA-N 278.436 4.558 30 10 CJEE CC1=CC[C@](C)(CN(C)c2cc(Cl)ccc2C#N)CC1 2237301399 PXCMJKNUSHWEDT-KRWDZBQOSA-N 288.822 4.784 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](NCC#CC2CCCCC2)C1 2238169089 FBTROQWKSWDSMC-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCCCCCCCOc1ncc(CNC2CCC2)s1 2238763851 ZAWPTNLMLLLHES-UHFFFAOYSA-N 296.480 4.525 30 10 CJEE C=C[C@H](CCCCC)OC[C@H]1CC[C@H](CNC(C)C)C1 2239486405 GERDRYUENRZDGP-OKZBNKHCSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCCOCC=C(CC)C(=O)O 2239493496 SXHSEWJOYORPMP-UHFFFAOYSA-N 284.440 4.955 30 10 CJEE CC(C)(C1CCCCC1)[C@@H](N)C#Cc1cccc(Cl)c1 2239561024 AXLLDOHZIWSCPX-KRWDZBQOSA-N 289.850 4.625 30 10 CJEE C=CC[C@@H](CNC1CCC1)Cc1cc2ccccc2s1 2240115239 ZYPYYSZXZJJHAW-CQSZACIVSA-N 285.456 4.778 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccccc1CCC 2240143488 CYHSELHGIKFANL-IRXDYDNUSA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@H]2C[C@H]1CO2 2240613020 REFKYSPJDVLFHJ-XLAORIBOSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1cccc(Cl)c1 2240637715 LUTVTXIVBOCFFI-SJORKVTESA-N 297.870 4.841 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC1CC1)NCCC 2240653177 DDCMXARQUDDGGM-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc2cc(C)ccc2n1 2241066725 PLJVZYAOFODJNH-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1nc(Cl)cs1 2250188132 DYIGIGBIHNEENS-NSHDSACASA-N 272.845 4.584 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](CC)CS1 2252953389 QHCGNRZFONSPOW-HUUCEWRRSA-N 257.487 4.958 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Cl)cc1CC 2256578859 JIDVACPWADXFBN-INIZCTEOSA-N 265.828 4.909 30 10 CJEE C=CCCS[C@@H]1CCCCCCCCCC[C@H]1N 2259051177 JVPSPWHFBOXBCM-HZPDHXFCSA-N 269.498 4.906 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]1CCC 2259198979 NWWBDIPDROBXPB-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C[C@@H](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 2260405259 UKZRVWZYQWPPSA-MRVPVSSYSA-N 289.162 4.526 30 10 CJEE CC1CC2(C1)CC(Sc1cc(Cl)ccc1C#N)C2 2260476309 ZECSEMIKVHEEND-UHFFFAOYSA-N 277.820 4.882 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(F)CCC1 2263716646 WCUIKOCCIWWJJS-HNNXBMFYSA-N 257.437 4.997 30 10 CJEE CCCCCCCCCC(=O)c1ncc(F)cc1C 2266433591 MMNNEAJJNXPAAK-UHFFFAOYSA-N 265.372 4.853 30 10 CJEE C=C1CC([C@@H](CC[C@@H]2CCCC23CC3)NCCC)C1 2266647264 NBHNJCZCGXHFFN-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CO[C@H](C)c1ccc(CC=CC#CC(C)(C)C)cc1 2268763521 RUWUYPXCZHBSGT-OAHLLOKOSA-N 256.389 4.542 30 10 CJEE C=CCCCCCCCSc1cc(C)c(CO)cn1 2271583444 YIVVBEVYIYHHER-UHFFFAOYSA-N 279.449 4.501 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H](CC(C)(C)C)OC)C1 2271708481 IECNMYILEAGHIQ-BFYDXBDKSA-N 265.441 4.938 30 10 CJEE C=C(C)CCCC[C@]1(N)c2ccccc2CC[C@@H]1C 2271764479 GWPKTFSNJHLVSI-MAUKXSAKSA-N 257.421 4.559 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](OC)C(C)(C)C 2271780471 GEDCDLLXFQLJGM-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CC(F)(F)C12CCC2 2271798255 OWSBIZYGMHHSNO-UONOGXRCSA-N 271.395 4.536 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CC2(CC(C)C2)C1 2272137621 LDZQDDIXEDCKSX-DFQJWARBSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(O)CC#CC1CCCC1 2274180102 GREFXSBMEPBDIS-AEFFLSMTSA-N 262.437 4.538 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)C1CC(CC(C)(C)C)C1 2274214007 RYIIABIMZFZIQB-NDTCATRNSA-N 265.441 4.530 30 10 CJEE N#C[C@H]1CCCCC[C@H]1SCC1(C(F)(F)F)CCC1 2274554756 AKVVLXHXFCQWOR-VXGBXAGGSA-N 291.382 4.925 30 10 CJEE CCCCCCCC[C@@](C)(CCCCF)OCCN 2276209287 BHJLWOCVUFNJOR-INIZCTEOSA-N 275.452 4.611 30 10 CJEE CCCCCCCCCC[C@H](CC(C)C)OCCN 2276668548 GRUGUHVMCADGBP-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C=C(C)CC[C@@H](C)NCc1sc(C(F)(F)F)cc1C 2277703880 LZICHLZXUGWVIX-LLVKDONJSA-N 291.382 4.910 30 10 CJEE CCNc1cccc(C#Cc2cc3sccc3s2)c1 2278093335 YWCLKPVQLVUVMF-UHFFFAOYSA-N 283.421 4.794 30 10 CJEE CC(C)(C#N)CCCCNCC[C@@H]1CCCCC12CC2 2279588496 LIOHTGQYWSPDIX-INIZCTEOSA-N 276.468 4.657 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C=O)CCCc2ccccc21 2280497353 CDJRKJZVIZDPQT-SZVBFZGTSA-N 270.416 4.676 30 10 CJEE N#C[C@@H](CSC[C@@H]1CCCCC1(F)F)c1ccccc1 2283107443 NLSCFKDXJDPWLW-GJZGRUSLSA-N 295.398 4.852 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCCC(C)(C)C1 2284105938 QYRLDHMINJUBDN-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)[C@H]1CCCC(C)(C)C1 2284110145 CNYILCUITQESQZ-QFBILLFUSA-N 275.480 4.916 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@]1(C)COC)NCC 2284650876 QMJCVZLASCLYGI-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCSc1cc(C)ccc1C(=N)N 2287063811 URGHKCWXFGBRNP-UHFFFAOYSA-N 290.476 4.898 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cccc(Cl)c1F 2289878546 BGAXLEXABBDBEE-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)C1CC1 2290633987 BQHGUWCEKZVMQQ-GOEBONIOSA-N 284.440 4.643 30 10 CJEE CCCCCCCC1(OCCC(=O)O)CCC=CCC1 2290885895 UABXBCXKCKSBME-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1cc(C)c(C)s1 2290905638 JMZQJKNDMZQFLV-CQSZACIVSA-N 298.448 4.868 30 10 CJEE C=CCCCCCCC1(OCCCN)CCC=CCC1 2292788468 XASZWJZPHXTOAP-UHFFFAOYSA-N 279.468 4.747 30 10 CJEE CCCCCCC[C@H](CC1(CCF)CC1)OCCCN 2292830602 IWZIGNBOYPSLET-MRXNPFEDSA-N 287.463 4.611 30 10 CJEE C=CCC[C@@](C)(C[C@H]1CCC=CCCC1)OCCCN 2293161116 ALSRIEQCAWWEND-ROUUACIJSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@@](CC)(OCCN)c1occc1C 2293662281 ALIGENQZHVRDLA-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE CC#CCCCC[C@@](CC)(C[C@H](C)CC)OCCCN 2293827847 HYKNWURLGYOMRL-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@](C)(C[C@@]1(C)C[C@H]1C)OCCCN 2293969362 YWASTBMUKSQVHU-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C[C@@H](NCC)c1cc(C(F)(F)F)ccc1C(F)(F)F 2295813606 QOAHJLZCAGKRAH-LLVKDONJSA-N 297.242 4.561 30 10 CJEE O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(O)cc1 2296759633 QOSCTBAYXJCLFA-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc(Cl)ccc1Cl 2301012061 AIQOKQLWCVLGHM-AWEZNQCLSA-N 270.203 4.762 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2304581802 DWMKDELJKNUYJS-GMSGAONNSA-N 279.783 4.812 30 10 CJEE C=C(C)C[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C 2304889599 HFRILYXDPVZRCS-CYBMUJFWSA-N 297.236 4.682 30 10 CJEE C=CCC(C)(C)[C@H](N)c1c(Cl)cc(C)cc1Cl 2307523427 ULLQHSDCMAQHMH-CYBMUJFWSA-N 272.219 4.904 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(Cl)cc1 2315465707 OTJBQLOJBFLRMR-XPKDYRNWSA-N 263.812 4.735 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1Cl 2315491372 NEUIZYPDUQXSLG-NHYWBVRUSA-N 284.230 4.828 30 10 CJEE C#CCN(Cc1ccc(Cl)c(Cl)c1C)C(C)(C)C 2316695229 ULBNURCWPLDXKL-UHFFFAOYSA-N 284.230 4.536 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@H]1CC[C@H](CCC)CC1)NC 2321129863 DZBRARXPUBLWDX-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCC2)CC1 2332680104 DTXXQVSJAOLLRE-BQFCYCMXSA-N 262.437 4.988 30 10 CJEE C=CCC(CC=C)Oc1cc(C(F)(F)F)cc(Cl)n1 2335113462 CWBLMTLSTFGTEZ-UHFFFAOYSA-N 291.700 4.653 30 10 CJEE CSc1cccc(N(C)c2ccc(Cl)cc2)c1C#N 2339124562 OBGYRKDGYIXULD-UHFFFAOYSA-N 288.803 4.701 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCC1=CCCCC1 2341090721 FZYTVQYMJOEVSM-ROUUACIJSA-N 261.453 4.992 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)ccc1C1CC1 2341785726 PFSMLNRPOAFYKA-QGZVFWFLSA-N 261.384 4.839 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C)cc2SC)CC1 2342322453 XEOUTVXXJUFHBY-MRXNPFEDSA-N 275.461 4.853 30 10 CJEE C=C1CC(CC[C@H]2CC[C@@H]2C2CC2)(CNC(C)C)C1 2342553641 DZFCVZXEMLFZQX-IAGOWNOFSA-N 261.453 4.537 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CC1(C=O)CCC(F)(F)CC1 2343335167 QYEYOAFWNVPZJM-OLZOCXBDSA-N 272.379 4.843 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2343406569 FEFITHXZCVGVCN-SCVCMEIPSA-N 296.197 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCc1ccc(Cl)cc1)NC 2344369903 VRENMAFHKIFSKZ-IRXDYDNUSA-N 279.855 4.853 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@](C)(CC)CC=C 2344375346 BSRLEBBVZUORJI-IAGOWNOFSA-N 266.473 4.727 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1coc(C(F)(F)F)c1 2344376014 FQWDFPNNYUBAOT-GFCCVEGCSA-N 275.314 4.551 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCCC 2344380727 LPIAWGIORCAJHQ-RQJABVFESA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc2cccc(Cl)c2n1 2344407750 ALAVKKHNMNMNAC-UHFFFAOYSA-N 273.763 4.673 30 10 CJEE C[C@@H]1[C@@H](N(C)C[C@@](C)(CS)C(C)(C)C)CCC[C@H]1C 2352310211 BCVSNJTXGQODLP-AESZEHBQSA-N 285.541 4.725 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H]2COC(C)(C)C2)C1 2353526560 DZCXRJUGQMUXFC-ZDUSSCGKSA-N 263.425 4.548 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NCCC)C[C@H]2CCC[C@@H]12 2360206002 SEVZDWYFYOJMQZ-DDBAPUKQSA-N 293.520 4.797 30 10 CJEE CCc1nc(SC[C@H]2CC[C@H](C)CC2)c(C#N)cc1C 2360515684 ZFHVLTVQFXDXKC-MQMHXKEQSA-N 288.460 4.743 30 10 CJEE Cc1ccsc1[C@@H]1Nc2ccc(C#N)cc2[C@@H]2C=CC[C@H]21 20687561 OEDUUOSGYKPLKO-CKEIUWERSA-N 292.407 4.755 30 10 CJEE C(=N/c1ccnc2ccccc12)\c1cnc2ccccc2c1 31559671 LXCGPGOBEIHUHJ-LPYMAVHISA-N 283.334 4.534 30 10 CJEE C=CCOc1cccc(/C=C\C(=O)c2ccc(Cl)cc2)c1 33410884 ARYKLOKYKRKPGS-WDZFZDKYSA-N 298.769 4.801 30 10 CJEE C=CCn1c(SCCc2ccccc2)nc2ccccc21 34783815 CNRGULOQLQCCGD-UHFFFAOYSA-N 294.423 4.557 30 10 CJEE Cc1ccc(Oc2c(C#N)cnc3ccccc23)cc1C 36913424 KXGXIQLDBKGKHP-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(OC)c2)C1 37154713 QUCZHBDDHPADCW-JJRVBVJISA-N 289.444 4.896 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2cccc(C)c2C)cc1 57684914 FZOJATQIJLHQRU-SFHVURJKSA-N 279.383 4.688 30 10 CJEE CCc1cccc(OCC[C@@H](C#N)c2cc(C)ccc2C)c1 57695419 ZSKMPANWKMNEBV-SFHVURJKSA-N 293.410 4.942 30 10 CJEE CCCCC[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 61892314 JVMYFLHDHRNHTE-FGTMMUONSA-N 270.420 4.590 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 71132208 MXBSMMJLNLTTQM-VXGBXAGGSA-N 263.768 4.559 30 10 CJEE CC(C)c1ccc2c(ccn2Cc2cccc(C#N)c2)c1 75232883 YLXAUJRWXBWFJH-UHFFFAOYSA-N 274.367 4.685 30 10 CJEE CCC[C@@H]1CCCN([C@@H]2C[C@H](CC)CC[C@@H]2C#N)CC1 79341652 QXOUDLOGZAQQTM-BRSBDYLESA-N 276.468 4.607 30 10 CJEE CC(C)c1ccc([S@@](=O)[C@@H](CC#N)c2ccccc2)cc1 84260452 YPSCIBUKXYJHDN-RXVVDRJESA-N 297.423 4.573 30 10 CJEE CCC[C@H]1CCC[C@](O)(C2(C#N)CCC(C)CC2)CC1 91903419 OUJPCXQLNFNCPY-JYSRZZCRSA-N 277.452 4.818 30 10 CJEE CCC(CC)(CS)CN1CCCCc2ccccc21 94577961 JIRWYURWIMLPHL-UHFFFAOYSA-N 277.477 4.566 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)CC(C)C 94581170 NIPJNZKRMCKEMK-OAHLLOKOSA-N 273.530 4.869 30 10 CJEE CC(C)CCN(C1CCCC1)[C@H]1CCCCC[C@@H]1C#N 94848750 MKNSEXCEDXIAHY-AEFFLSMTSA-N 276.468 4.750 30 10 CJEE CN(CCCCCCCCCS)Cc1ccccc1F 97799363 URIFSQJGLSZVGD-UHFFFAOYSA-N 297.483 4.918 30 10 CJEE CCCCCCCCOc1ccc(/C=C\C(=O)O)cc1 100312981 KAMZUSZBMGHSEB-RAXLEYEMSA-N 276.376 4.524 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103029805 NFCQTJXDCLITCJ-SEYXRHQNSA-N 279.383 4.927 30 10 CJEE CCCCCCCOc1ccccc1CCCNCC 106534434 VXBYKYDKJPYUSE-UHFFFAOYSA-N 277.452 4.578 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1cc(Cl)ccc1Cl 107564496 LRSJWNWHPFGHEV-OXHMUOHRSA-N 259.176 4.664 30 10 CJEE CC#C[C@@H](C)Cc1c(C)cc(OCCC)c(C)c1C 107639982 GPFYRDSYDWUGAK-CYBMUJFWSA-N 258.405 4.603 30 10 CJEE C[C@@H](CCNc1ccc(C#N)c(Cl)c1)c1ccccc1 109772215 QTXYUFYFOQRZEC-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCSc1c(F)cc(N)cc1F 109966922 IVLRLTCSZIAYAM-UHFFFAOYSA-N 273.392 5.000 30 10 CJEE CCCCCCCCO[C@H](CN)c1ccc(Cl)s1 109988943 UYRXOMYYHIVVIR-GFCCVEGCSA-N 289.872 4.778 30 10 CJEE CCCCCCCCCCNC1(CO)CCC(C)CC1 110169088 DGZOTRHJAREWIS-UHFFFAOYSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](C)C#N 110246823 RGDXTECTXZCVMM-QGZVFWFLSA-N 266.473 4.999 30 10 CJEE C[C@@H]1CCc2ccccc2N1c1ccc(C#N)cc1Cl 110251154 UDQWJABKDIMIMA-GFCCVEGCSA-N 282.774 4.684 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265674 HKVQURPZOQSSOI-YESZJQIVSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@H](CNC)Cc1ccc(F)cc1 110917348 BPADNSAMQXTNPS-INIZCTEOSA-N 265.416 4.564 30 10 CJEE CCCCCCCCCN1C[C@H](C)NCC12CCCCC2 114057649 OECAJAUQWXOICO-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1CCOC1 114995659 SOXWPEFVPKXMED-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](O)c1ccccc1COC 115199921 KIXVFJKOJRMTHZ-KRWDZBQOSA-N 264.409 4.617 30 10 CJEE CCCCCCCCC[C@H](Cc1c(C)cccc1C)NN 124442544 PITOEYHSDCFNLS-GOSISDBHSA-N 290.495 4.819 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccc(F)cn1 125737256 DQFWUSXVRFZPOL-HNNXBMFYSA-N 266.404 4.751 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)c(C)cc2Cl)n1 128266857 LGBDXYDDWASISO-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCCCNc1ncccc1[N+](=O)[O-] 129409674 DBMOLVMUQBLBEZ-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]([C@@H](C)N)C1 132389858 NBFXNNJDUYUQFJ-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCSc1cccc(N[C@H](CC)CC2CC2)c1C#N 136668994 OGDQPQFUWOECDG-CYBMUJFWSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@@H](N)CCc1ccncc1 143471377 ZZZAXARFPPPFDV-GOSISDBHSA-N 276.468 4.872 30 10 CJEE CCCCCCCCNc1nc(CC)nc(Cl)c1C 147275681 AZGZCOWAMMPAAC-UHFFFAOYSA-N 283.847 4.773 30 10 CJEE C=C(CC)C[C@H]1CC(C)(C)CC[C@H]1CNC(C)C 156298260 QZYVLYGKXJNCMV-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCOc1cc(F)cc(C[C@H](N)CC)c1 157495166 VDBPAKLXNOYAND-QGZVFWFLSA-N 295.442 4.845 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccs1 163924305 UGIIOYMZRKUGMX-VIFPVBQESA-N 296.317 4.812 30 10 CJEE C=CCCC[C@H](NCCC)c1c(F)cc(F)cc1F 167731768 BELVXLQWJKKSMV-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CC(C)c1ccc([C@H](C)NCCCC(C)(C)C#N)cc1 174809910 AOBMERBSCOVZKU-HNNXBMFYSA-N 272.436 4.791 30 10 CJEE CCCCCCCCCC[C@]1(O)CCN2CCCC[C@H]21 228267647 CEXSLGJOYVBVHW-ROUUACIJSA-N 281.484 4.507 30 10 CJEE C=CCCC[C@@H](NC)c1cc(C)c(Br)c(C)c1 228385260 XMRUXNQURMLSHS-CQSZACIVSA-N 296.252 4.683 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC 229738446 AOZRHJDXRKRNJB-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)OC)NCCC 230965419 KXCCVTOVRLPPGU-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC(=O)c1nn(C)c2ccccc12 231931300 DYDWNYLWMBOUPY-UHFFFAOYSA-N 272.392 4.507 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(F)c1 232929823 FNMXQFIATOCZDS-OAHLLOKOSA-N 286.822 4.734 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccncc1C 233124851 BZJXIYDRELRPRI-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE CCC[C@H](C)COCC(CS)(CCC)CCC 233330981 NOWXNDYHUJFGCL-AWEZNQCLSA-N 260.487 4.956 30 10 CJEE CC(C)(C#N)C[C@@H]1CCCC[C@H]1[C@@H](F)C(F)(F)F 261164135 WXOQGYCCBZHAFZ-HBNTYKKESA-N 265.294 4.633 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1c(F)cccc1Cl 306660467 QJVSCBYGSCGNCV-KTKRTIGZSA-N 296.578 4.514 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1CCCCC1(C)C 311320820 AFPQBVRKKHXBLX-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CC(C)(C)C#CC[C@H]1C[C@@H](c2ccccc2)CCC1=O 312210749 PCKYREGDRNJCGX-IRXDYDNUSA-N 268.400 4.579 30 10 CJEE C#CCCCC1(CNCCC)CCC(C(C)C)CC1 317879539 OJKIFEGWVDPLFY-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCCCCCC1 321850441 KTJQRYROYPLQIE-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C=CCC(C)(C)COCc1cccc(Br)c1 378689868 YJWFCOOQHNTRIK-UHFFFAOYSA-N 283.209 4.568 30 10 CJEE CC(C)CNC[C@H]1CCCCC[C@@H]1CC#CC(C)(C)C 379883760 UWRRNAMGOYIOND-QZTJIDSGSA-N 277.496 4.868 30 10 CJEE CCCCCCCCCN[C@H](C)c1cccc(O)c1 383771414 UUUPJSRBVJBYKF-OAHLLOKOSA-N 263.425 4.793 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 386660174 DJFHENBTMJMDAM-KRWDZBQOSA-N 295.426 4.882 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)C2(C#N)CCCCCCC2)C1 394593607 CNZUEGAIESXYPB-ZACQAIPSSA-N 277.452 4.818 30 10 CJEE N#CCc1ccc2sc(C(F)F)c(Cl)c2c1 396186927 HFZKWNKHGRFJMB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC1CCC(CNC[C@@H](C#N)C2CCCCC2)CC1 397318509 QAFDBIOENRXFEM-LEOMRAHMSA-N 276.468 4.512 30 10 CJEE C=C[C@@](C)(CNCC(C)C)CC(F)(F)c1ccccc1 400665526 FERLOVXASVPPQX-MRXNPFEDSA-N 281.390 4.606 30 10 CJEE C[C@](C#N)(C[C@H]1CSc2ccccc21)c1ccccc1 405563436 AXDFVBUGORIMPK-KBXCAEBGSA-N 279.408 4.747 30 10 CJEE C[C@](C=O)(CC/C=C/c1ccccc1)c1ccccc1 405605421 LJCWSLOPJUZFHS-YRVHBARZSA-N 264.368 4.637 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 467829709 HJNCPCJEKJPKGS-ZDUSSCGKSA-N 291.822 4.628 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1 686677589 JNFMORYMHSRSML-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE C#CCCCCC[C@@]1(O)CCCC[C@H]1c1ccccc1 686678884 YOGXGRYZCWTHNO-RBUKOAKNSA-N 270.416 4.659 30 10 CJEE CCCCCCCCCCC(=O)c1cnsc1 687171647 PXQNTJIFEFQPMM-UHFFFAOYSA-N 253.411 4.857 30 10 CJEE CCCCCCCCC[C@]1(O)CCCSCC1 692439080 IJKLZIKKUUKNOM-HNNXBMFYSA-N 258.471 4.775 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](OC)C1CCCC1 692950137 MQOIIRPUFBPUOE-WBVHZDCISA-N 269.473 4.530 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(F)cc1Cl 701865642 UIEAIFLXLXCIFB-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCCCCCCCCC(=O)[C@@H](OC)C1CCC1 703136083 VCWIRLYEPJOSQF-INIZCTEOSA-N 254.414 4.511 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCc1cccc(C)c1 704038743 HOBUCIUUBNCUGN-QGZVFWFLSA-N 273.464 4.898 30 10 CJEE CCCCCCCC[C@@H](CC1CC(OC)C1)NCCC 704216408 OVJTXPDRJDYSLS-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@](C)(N)c1cncc(F)c1 704878831 ZTUJULLWOGJIJO-QGZVFWFLSA-N 280.431 4.925 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCCC[C@H]1OC 704979746 LZRWNZXGSYITBJ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE Cc1cc(C#N)ccc1Oc1cccc2sccc12 705108486 YBKOAJZXVDETCV-UHFFFAOYSA-N 265.337 4.874 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCCC(F)(F)F 709358022 XAAQUKSQBSLRIY-MJBXVCDLSA-N 277.374 4.832 30 10 CJEE CCCCCCCC[C@@H](O)c1ncc(SC)s1 712865888 ZPVPXAXECULTDV-LLVKDONJSA-N 273.467 4.649 30 10 CJEE CC(C)C(C)(C)C/N=C1/NC2(CCCCCCC2)CS1 713209072 SDFKHYMQQAENQX-UHFFFAOYSA-N 296.524 4.844 30 10 CJEE CCCCCCCC[C@H](O)CC[C@@H]1C[C@@H]1C1CC1 715522423 AIZOIJRJPDWDMN-IXDOHACOSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)C[C@@H](C)CO1 718477719 DZELEBKEGCFCMU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 720811663 UARPRWBMCZYQQT-NNCLKIPCSA-N 278.436 4.510 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cscc2C)CC1 724549620 OSEWGPFEOKBRFG-INIZCTEOSA-N 263.450 4.844 30 10 CJEE C=C1CCC(C[C@H](NC)c2coc3ccccc23)CC1 724550624 UMUTXBKFNNPPBJ-KRWDZBQOSA-N 269.388 4.830 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)ccc2C)CC1 724602138 JJGOCTYUWLRXJT-SFHVURJKSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@H](N)C[C@H](CC)C(C)(C)C)CC1 724607623 QIHWAJMKARASLV-HOTGVXAUSA-N 251.458 4.913 30 10 CJEE CC(=NOc1ccccc1C(F)(F)F)C1CC(F)(F)C1 863103582 DGUOPOPBZYHGLN-UHFFFAOYSA-N 293.235 4.505 30 10 CJEE C=C(C)CCNC(=O)c1cc(CC)c(-c2ccccc2)s1 1129085126 NYVFPEFWDWOXTD-UHFFFAOYSA-N 299.439 4.674 30 10 CJEE C=C(C)c1cccc(NC(=O)CCc2ccc(C)cc2)c1 1134838247 RUCJXAVIXJOYQJ-UHFFFAOYSA-N 279.383 4.599 30 10 CJEE C=CCN(CCc1ccco1)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1168580597 PQGQCZVNUOFTRP-PIIMJCKOSA-N 289.463 4.773 30 10 CJEE C=C(C)CCN[C@@H](c1ccc(Cl)cc1F)C(C)C 1169154210 VXWDUMJQVHMAIV-OAHLLOKOSA-N 269.791 4.732 30 10 CJEE CCCCCCCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1176193200 LVQSHFLKPZGYKE-KBPBESRZSA-N 277.374 4.621 30 10 CJEE C=CCCCNCc1cccc(-c2ccc(C)cc2)c1 1178629244 MDWGNOSUMUZCRL-UHFFFAOYSA-N 265.400 4.718 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](c1ccc(OC)cc1)c1ccco1 1182396523 INSWXSXFUYOTRN-APWZRJJASA-N 299.414 4.712 30 10 CJEE C#Cc1ccc(N[C@H](CC)[C@H]2CC2(C)C)c(Cl)c1 1184097449 IKMJSFCSTHTGOW-TZMCWYRMSA-N 261.796 4.558 30 10 CJEE C=CC[C@H]1N(CCSc2ccccc2)CCCC1(C)C 1193919547 ATMMPPMONCXNQN-QGZVFWFLSA-N 289.488 4.845 30 10 CJEE C=CCCC[C@H](C)NC[C@@H](C)CCc1ccccc1 1201653906 DNRJJHUHBKPJFQ-IRXDYDNUSA-N 259.437 4.590 30 10 CJEE C=CCC[C@H](C)N[C@@H](C(=C)C)c1ccc(F)c(F)c1 1205435098 VQCGZXOIAYCUBO-LRDDRELGSA-N 265.347 4.526 30 10 CJEE N#Cc1ccc(Nc2ccc3sncc3c2)c(Cl)c1 1213997921 YXRJLSUBNUORED-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCC[C@H]2CCCC)CCCC1 1311866299 VMRYTWGHVFOLCI-CVEARBPZSA-N 292.467 4.533 30 10 CJEE C=CCCC1(CNC(=O)N(CC)C[C@@H](C)CC)CCCC1 1313003348 JXWFJGGZIAPMAY-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=CCC[C@@H](C(=O)OC1CCCCC1)c1ccccc1 1352403707 MRYAZXQMVBUEQM-QGZVFWFLSA-N 272.388 4.612 30 10 CJEE C=CCOc1ccc(OC(=O)[C@@H](C)CCC(C)(C)C)cc1 1435303568 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CCCCCCCCC[C@H](C)N[C@@H](C)[C@H](C)COC 2278245698 NFCSNBDAFONWAQ-IKGGRYGDSA-N 271.489 4.776 30 10 CJEE CC1(C)C[C@](C=O)(CC[C@@H]2CCCCC23CC3)CCO1 2279648216 HFYYAOLNPWUMMW-RDJZCZTQSA-N 278.436 4.511 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccnc(C(F)F)c1C 2283201033 YWFQJLZYFNQRAW-RISCZKNCSA-N 282.378 4.581 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(OC)c1Cl 2283563057 RBCQICXSPDXKMW-CQSZACIVSA-N 298.858 4.604 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCSC[C@@H]1CC[C@@H](C)C1 2284037751 GUQODZFVBHYMAQ-ZACQAIPSSA-N 296.524 4.606 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C(=O)O)CCCC(C)(C)C1 2284093772 AAWJSOJZHNLFQE-SFHVURJKSA-N 276.420 4.653 30 10 CJEE CC[C@@H]1NC(=Nc2cccc(C(C)(C)C)c2)S[C@@H]1CC 2285715434 OHNKJQHMBVTGKT-LSDHHAIUSA-N 290.476 4.865 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1nc(C)ccc1F 2287415181 TUTYRXZLVZVDSD-MRXNPFEDSA-N 278.415 4.706 30 10 CJEE CSCC1(C[C@@]2(C#N)CCOC23CCCCC3)CCC1 2289655658 KFMWHANQWRFWPD-MRXNPFEDSA-N 293.476 4.543 30 10 CJEE C=CC1(C[C@@H](O)Cc2cccc(C(C)(C)C)c2)CCC1 2290199354 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C=C(C(=O)c1c(F)ccc(C)c1Cl)c1ccccc1 2335578510 LXOGRWPFDRIFNW-UHFFFAOYSA-N 274.722 4.684 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)C1CCC(C)(C)CC1 2337114698 SSGRIHQIAHBKKE-OIISXLGYSA-N 263.469 4.926 30 10 CJEE CCCCCCCCC[C@](N)(CC)[C@H]1CCCCO1 2337302616 XXYQHMCZIGPSID-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE C=CCC(CC=C)[C@@]1(C(=O)O)CCCCC12CCC2 2338727195 IWCYDYPILSWLBN-QGZVFWFLSA-N 262.393 4.570 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339277577 JHULTGBEVAZPDU-ZKXLYKBJSA-N 260.421 4.764 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@H]1C[C@@H]1C1CCCCCC1)NCC 2341885358 QZNXOGPSWKZFSB-XDNAFOTISA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCCC[C@@H]1C(F)(F)F)NCC 2341927968 CQQLIEUJZZEZBS-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CN(CCCCCCCS)C[C@@H]1CC[C@H]1C(C)(C)C 2343168941 NSTBNCSBXVXPFE-JKSUJKDBSA-N 285.541 4.871 30 10 CJEE O=C[C@@]1([C@@H](CC2CC2)C2CC2)CCCCC12CCC2 2343966396 KWZVKUZXUOSZRT-FUHWJXTLSA-N 260.421 4.742 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@]12CCC[C@H]1C2)NCC 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4.990 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(NCc2ccccc2)CC1 86959700 GGTZZLVEYKIBMB-IEBWSBKVSA-N 284.447 4.665 30 10 CJEE CC[C@H](C)c1ccccc1OCCCC(C)(C)C#N 87608927 ZVNPHYXKSLSELO-AWEZNQCLSA-N 259.393 4.909 30 10 CJEE C=C(C)C[C@@H](NCC)C1CCC(C(C)(C)C)CC1 92129842 LSGSNUHSNXXKAC-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCCC(CS)(CCC)CN1[C@@H](C)CCC[C@@H]1C 94578276 OAURZAHPWDHQPJ-GJZGRUSLSA-N 271.514 4.766 30 10 CJEE CCCCN(CC[C@H](C)CCS)c1ccccc1 94581699 XQSDIAQANGAVBN-HNNXBMFYSA-N 265.466 4.639 30 10 CJEE CC[C@@H]1CCC[C@H](OCC2(CS)CCCCC2)C1 94585857 PYDPMQRNYSXEGS-CABCVRRESA-N 270.482 4.852 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(Cl)cc1 100903070 CBCDOHHLAAAFIV-VOORUYIGSA-N 274.791 4.749 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1CC)c1ccc(Br)s1 107597059 GQXQIKUUTXEVCZ-OPRDCNLKSA-N 289.238 4.572 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c(C#N)c1 109947594 RAAVMPHHWRACSX-CYBMUJFWSA-N 262.372 4.858 30 10 CJEE CCCCc1ccc(Nc2nc(C)cc(C)c2C#N)cc1 110254339 SGJVSGUZZHDMCX-UHFFFAOYSA-N 279.387 4.656 30 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KATWWKMEMPWQKI-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C 164016764 LSYQTUZCGGITDE-MDZLAQPJSA-N 296.336 4.814 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](CCC)CC2)C1 226983655 CMZWJWFMZLXZJN-YDZRNGNQSA-N 290.495 4.997 30 10 CJEE CC(C)c1ccc(Nc2cc(F)cc(C#N)c2)cc1 227604944 INZLHGUZSXFJJW-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE N#Cc1cc(F)cc(Oc2cccc(Cl)c2Cl)c1 227634269 QTTWMGBPEAROHF-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1C 228115758 NVHAJPULILNJKM-QLFBSQMISA-N 289.554 4.562 30 10 CJEE CCCCCCCC[C@@H]1C(=O)Nc2ccc(C)cc21 232937102 NWLFCUXISSAESM-AWEZNQCLSA-N 259.393 4.781 30 10 CJEE CCCCCCCC[C@@H]1CNc2ccc([N+](=O)[O-])cc21 232939516 IYTMXQHKKNMNTO-CYBMUJFWSA-N 276.380 4.855 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(F)c1F 236210480 OIEHKKYQEYHYLI-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C#CCCC[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 253044761 OJQZFEHQEKYWIW-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE C[C@@](C#N)(Cc1cccs1)c1ccc2c(c1)CCCC2 259527452 LKGHDDOEEKXYFH-SFHVURJKSA-N 281.424 4.651 30 10 CJEE C[C@@H](C#N)Cc1cc2ccc(C(F)(F)F)cc2s1 260170129 WTUCLXOHINOGSX-MRVPVSSYSA-N 269.291 4.622 30 10 CJEE CC(C)Sc1ccc(CCCC#N)cc1Cl 260825489 JHEXZJZVMUYABL-UHFFFAOYSA-N 253.798 4.687 30 10 CJEE Cc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C#N)c1 300460567 WWTRNVCIGMTMME-UWWQBHOKSA-N 271.404 4.706 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CC[C@H](C)c2ccccc21 311831031 GFUIWFXAARWVJP-WMLDXEAASA-N 257.421 4.817 30 10 CJEE Cc1ccc(C[C@]2(C#N)CC[C@@H](C)C2)cc1Br 314521406 GMYLPKXELDCKCW-ABAIWWIYSA-N 292.220 4.630 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CCCC2(F)F)CC1 382043642 DSEBIWJXCBSHNJ-MOKVOYLWSA-N 255.352 4.922 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccccc1C(F)(F)F 384988542 KIXFWXSMSSHTCZ-IUODEOHRSA-N 281.321 4.968 30 10 CJEE C[C@@H](C1CC1)N(Cc1ccccc1)[C@@H]1C[C@H](C)CC[C@@H]1C#N 385909955 GIYHUHSPFKONNE-WOUAJJJCSA-N 296.458 4.615 30 10 CJEE C=CC[C@H](CC)n1c(=S)[nH]c2cc(C)c(OC)cc21 393787818 RHOVYDIWZPWKOU-NSHDSACASA-N 276.405 4.543 30 10 CJEE N#CC1([C@H](O)CCC2CCCCC2)CCCCCCC1 395094055 DBHUEXDFULDVDJ-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2cccc3ccccc23)N1 398486775 GRXLBRMJVXKLMY-KRWDZBQOSA-N 284.428 4.578 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@@H](CC)CC(F)(F)F 402557140 JRVQBBSNIZTCPO-ZIAGYGMSSA-N 279.390 4.793 30 10 CJEE CCCOc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 512648260 MBCYGPZJZBAKPM-ZDUSSCGKSA-N 298.361 4.659 30 10 CJEE C#CCCCCCC1(CNCC)CCC(CC)CC1 686695094 USZHIAORANJGOA-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C#CCCCCCC1(CNCC(C)C)CCCCC1 686702727 NMOJPRAFXGEFFV-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC(C)(C)c2ccccc2)C1 686736278 DJXIJEKRAQOWDJ-CRAIPNDOSA-N 258.405 4.750 30 10 CJEE CCCCCCCCCC[C@H]1COC[C@@H]1NCCC 687952438 CCXUFACHZQHTSW-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCc1cc(C)cc(CC)c1N=C1NC(C)(C)CCS1 690201084 KPBQUZOTIHFIKT-UHFFFAOYSA-N 290.476 4.612 30 10 CJEE CCC[C@H](N[C@@H](C)CC(C)(C)C#N)c1cccs1 695812250 RLXFWORUULUPOK-STQMWFEESA-N 264.438 4.507 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC[C@H](CC)C3)C[C@@H](C1)C2 697298561 XZRKLVWLBUAICT-KYLYMASSSA-N 261.453 4.680 30 10 CJEE C=C(Cl)C[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 710519467 IVGQXCDIQBAPTG-IZTSSTLKSA-N 282.855 4.877 30 10 CJEE C=C(C)C[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712577933 ABSTYBWWXZDCBO-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(C)c2Cl)CC1 724551635 FTDDKHUUTMQJHV-HNNXBMFYSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc(F)c2Cl)CC1 724553124 RHKPTZWSYRLLPT-CQSZACIVSA-N 268.759 4.649 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2sccc2OC)CC1 724618502 QZSBTKCRTDWWEF-HNNXBMFYSA-N 293.476 4.934 30 10 CJEE CCc1c(CC#N)c(C(F)(F)F)cc2ccsc12 725303550 QBOICESUPLJCPX-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE CC/C(=N\OCc1ccccc1C)c1ccc(C)cc1 821217026 AWELKMAHIKHUNZ-VHEBQXMUSA-N 267.372 4.634 30 10 CJEE CCOc1cccc2c1ccn2[C@H](C)CC(C)(C)C#N 829179709 OJPZEJVARFUDLV-CYBMUJFWSA-N 270.376 4.541 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CC)CCC 1128410878 APNYIGWYPZDREN-AWEZNQCLSA-N 259.393 4.570 30 10 CJEE CC#CCCCC(=O)Nc1ccc(C(C)(C)CC)cc1 1128724011 AGFCDHQCQVWFSU-UHFFFAOYSA-N 271.404 4.506 30 10 CJEE C=C(CNC(=O)[C@@](C)(CC)CCCCC)c1ccccc1 1129587759 MQALMCCORLHULA-IBGZPJMESA-N 287.447 4.813 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(F)ccc1C 1169952522 KKNPFYYRERJPIC-UHFFFAOYSA-N 283.390 4.712 30 10 CJEE C=C(C)CCN(Cc1c(Cl)cccc1Cl)C1CC1 1170052760 LULLIYMCQZASTC-UHFFFAOYSA-N 284.230 4.924 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccccc1C(F)(F)F 1176771698 RCHMFICPASLBOK-CQSZACIVSA-N 283.337 4.636 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 1183727357 HPKCDINPGFZTNZ-UXHICEINSA-N 283.459 4.833 30 10 CJEE C#CCN(CC)Cc1c(Cl)cccc1Oc1ccccc1 1204898266 FTYJKQLFVICOJL-UHFFFAOYSA-N 299.801 4.587 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCCC1(C)C 1265133788 XKQHMESUHXEEIS-KRWDZBQOSA-N 291.479 4.798 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1 1270812836 LZZDVNMDIRIVDE-CAMMJAKZSA-N 299.458 4.535 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 1308927738 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296.524 4.700 30 10 CJEE CCCCCCCCC[C@@H](N)C1(O)CC2(CCCC2)C1 1912726863 JCKYFIGTRYMBDE-MRXNPFEDSA-N 281.484 4.540 30 10 CJEE N#Cc1cc(Cl)nc(N[C@@H]2CCC3(CCCCC3)C2)c1 1915915593 YWJMLCIZUVOOTF-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CCC(C)(C)C1 1916166825 BCOOOHZPVNYBEY-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=N[C@H]2CCC3(CCCC3)C2)N1 1916468168 KUINXVVWTIQESS-KBPBESRZSA-N 294.508 4.597 30 10 CJEE C=C([C@H](NCCC)c1cc(F)cc(Cl)c1)C(F)(F)F 1918440601 ATOCETZLEOSHLZ-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@H](C)c2cc(Cl)sc2Cl)C1 1918804144 BMQMALXTCNBJOX-OPRDCNLKSA-N 288.243 4.507 30 10 CJEE C=C([C@H](O)c1ccc(-c2ccccc2F)o1)C(C)(C)C 1919649341 OLGWUNVSINFNGZ-INIZCTEOSA-N 274.335 4.721 30 10 CJEE CSc1ccc([C@@](C)(O)CC#CC2CCCCC2)cc1 1919915598 QCSTULQVBLLHEE-SFHVURJKSA-N 288.456 4.590 30 10 CJEE C=CCCCCC[C@H](NC)[C@@](C)(O)CCCCCCC 1920807205 WUHMPNGROHEZAB-ROUUACIJSA-N 283.500 4.822 30 10 CJEE 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NFVDKWBFDVLIIT-ZFWWWQNUSA-N 271.351 4.860 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@@H]1C1CCCCCC1)NC 2344371657 LXIAABDDEOUMJQ-OWLYRPNTSA-N 263.469 4.783 30 10 CJEE CON(C[C@@](C)(CS)C(C)(C)C)C1CCCCCC1 2352077038 DTCWFSNMVKDVOD-INIZCTEOSA-N 287.513 4.555 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2355991372 WJTYWLUHLNKPAS-MHEUCROKSA-N 282.374 4.619 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 2355991374 WJTYWLUHLNKPAS-PMOUVXMZSA-N 282.374 4.619 30 10 CJEE CCCC#CC[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2360220268 TXPQKSJTMOQONM-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE COc1ccc([C@@H](C#N)Cc2cccc3ccccc23)cc1 4826361 TVODNJINORIRAK-GOSISDBHSA-N 287.362 4.698 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCCCCC2)C1 36328523 UKBRQMBZBCACRI-SOLBZPMBSA-N 276.468 4.750 30 10 CJEE CCc1ccc([C@H](CC)Nc2ccccc2C#N)cc1 37223762 KNTPBKXEOZECRT-KRWDZBQOSA-N 264.372 4.684 30 10 CJEE CC[C@@H](Nc1cccc(Cl)c1C#N)c1cccs1 52904375 YIULDVOFRMIBMJ-GFCCVEGCSA-N 276.792 4.836 30 10 CJEE C[C@@H](c1ccccc1)[C@H](C#N)c1c(F)cccc1Cl 57746290 HWAQYSUKHHFHOY-AAEUAGOBSA-N 273.738 4.890 30 10 CJEE CCCCc1nc2cc(Cl)c(Cl)cc2n1CCC#N 57804915 YJSGUDWFEZEIIK-UHFFFAOYSA-N 296.201 4.599 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(Cl)cc1 59090586 DUVTZWYWHKJNBY-CYBMUJFWSA-N 253.817 4.961 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(OC)c(OC)c1 59284936 BUDLORSHJVWKCD-MRXNPFEDSA-N 293.451 4.715 30 10 CJEE CCCCCCCCNc1cccc(C(=O)NCCC)c1 59422809 ZGSCEJQEVGXMNY-UHFFFAOYSA-N 290.451 4.599 30 10 CJEE COc1ccc(-c2cc(C#N)c(C)s2)cc1C(C)C 77095089 DUQVHVJQILDMBZ-UHFFFAOYSA-N 271.385 4.727 30 10 CJEE Cc1cc(C(=O)[C@H](C#N)c2ccccc2Cl)sc1C 87567415 BAKYWEDAGUJEMT-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE CC1(C)CC(C#N)(Sc2ccccc2Br)C1 90246262 IWYWDNIGFHLQHP-UHFFFAOYSA-N 296.233 4.624 30 10 CJEE C[C@H]1Cc2ccccc2N(CC2(CS)CCCCC2)C1 94577769 VGSAANZXKFDJSL-HNNXBMFYSA-N 289.488 4.566 30 10 CJEE COc1ccc(OCCCCCCS)c(C(C)(C)C)c1 94583373 RVOJOMMCNPPVDP-UHFFFAOYSA-N 296.476 4.862 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(Cl)cc1 97208425 SQGIUQOFGUPTJQ-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C=C(CC)C[C@@H](N)C1(c2ccccc2)CCCCC1 97208723 CEBCTDBCJCWPJI-QGZVFWFLSA-N 257.421 4.572 30 10 CJEE SCCCCCCCCCN(CC1CC1)CC1CC1 97799143 QIVDKFUOLRSDGL-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCNCc1ccccc1OCCCC 100027301 XMUBUXCUBDHQMK-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE Cc1ccc(C(=O)/C=C\c2sc(Cl)nc2Cl)cc1 101352529 ZYQYFOZHTSYYKM-SREVYHEPSA-N 298.194 4.654 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@H]1C 109901106 PNMQYNXPSSSOOZ-ZIAGYGMSSA-N 261.434 4.955 30 10 CJEE CCCCCCCCCCN[C@@]1(CO)CCC[C@H](C)C1 110169137 OKIYAQQKRVQHPK-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@@H](C)C(=N)N 110322437 DPZNWJREGRVVLF-QGZVFWFLSA-N 297.531 4.801 30 10 CJEE CCCCCCCCCCCCN[C@@H](CC)COC 112876122 ZJIGDVDGGMCNMZ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1C(C)(C)C 115238492 RDYUWCRECDNHLO-RCCFBDPRSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@](C)(CC)N(C)C 118152999 KYAXRHLBQZXEHD-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CC(C)=O 118728491 RAWYXTLVFCGDDH-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1CCCCO1 122718926 GUSXTFKRQBLOAS-MSOLQXFVSA-N 298.515 4.698 30 10 CJEE C=CCCCSc1ccc(CNC(C)(C)C)cc1 124344472 KXNZCRUYQLJDDY-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCO[C@@H]1C1CC1 131395046 VOKMUPFTOXBDHC-RTBURBONSA-N 295.511 4.920 30 10 CJEE Cc1ccnc(Sc2ccc(Cl)c(Cl)c2)c1C#N 135180747 MXQIRYVMRRFDAI-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCC[C@H](O)CCc1cccnc1 135354949 NCSQLHQUZCHCNT-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE C=C(CC)C[C@@H]1CCCCC[C@@H]1CNC(C)(C)C 155854508 VIHTXISWUIZREL-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCn1c(S)nc2cc(F)ccc21 161086066 HVCXZISYLCFWEW-UHFFFAOYSA-N 280.412 4.825 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 164548657 NDLQSZFAIOFGAG-ZDUSSCGKSA-N 286.246 4.870 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1ccnn1CC 165633275 LMEGCCRPQDGWMD-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE CC#CCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 169080808 WAAVIWQIPDTTCN-CVEARBPZSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCC[C@H](N)C1 169135292 KIDQODPOCFWLCY-HOTGVXAUSA-N 267.457 4.604 30 10 CJEE CC(C)c1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 177505017 XIAYYWHNIINUIA-AWEZNQCLSA-N 296.389 4.672 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C\CC 189904781 SEEMVXFLFJNFLL-ZROIWOOFSA-N 271.404 4.833 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 214509259 LXGZGFLAVKPREG-GOEBONIOSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCCCS1 233124368 WPYIUHZNROPDFQ-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(SCC)cc1 233548946 XZTQZUSOOOTWGL-INIZCTEOSA-N 263.450 4.806 30 10 CJEE Cc1ccc(N(C)[C@@H](C)c2ccccc2Cl)c(C#N)c1 235498157 NBAKHMYTYNEYEL-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE C=CCCCCCC(=O)c1cccc(F)c1Br 236184326 XMVPGFSLGUDDBU-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc([C@H]3C[C@H]3C)o2)C1 252553954 RKCYPQUMQZLZMO-KAISUZLGSA-N 287.403 4.547 30 10 CJEE C=C(C)CC[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC 253028456 FEAMKYZVVFFYPH-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)C[C@H](C)[C@H]1C 253113431 YWHCAVPSECYCOP-OWCLPIDISA-N 285.541 4.869 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 308061257 ZWKSNTWLFJIOBL-SMDDNHRTSA-N 295.785 4.728 30 10 CJEE N#Cc1ccc(Cl)cc1NCC/C=C/c1ccccc1 323327624 UYACBKBEFWMGKJ-XBXARRHUSA-N 282.774 4.727 30 10 CJEE CCC(=NO)c1ccc(OCc2ccc(Cl)s2)cc1 380925508 FJPILLFOIXVLSF-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE C=C(C)CCN[C@@H](Cc1ccccc1)c1ccccc1 387437862 PDFKZWRINQACFD-IBGZPJMESA-N 265.400 4.526 30 10 CJEE C=C(COCCC)[C@H](NCC)C1CCC(CCC)CC1 387568866 MIRRQECODBPWCS-ABHNRTSZSA-N 281.484 4.554 30 10 CJEE C=CC[C@H](CC)NC1CCC(C(C)(C)CC)CC1 393795039 HURNRWNVMDNINH-PCKAHOCUSA-N 251.458 4.926 30 10 CJEE CC(C)CCN(C[C@@H](C#N)C1CCCC1)C1CCCC1 397127502 NOKVFLBYSXUGQD-QGZVFWFLSA-N 276.468 4.607 30 10 CJEE C[C@@H](c1ccc2ccccc2c1)N1CCC(C)(C#N)CC1 506047229 IYIASRJGHRBJKM-HNNXBMFYSA-N 278.399 4.526 30 10 CJEE N#Cc1cc(-c2cc(Cl)cc(Cl)c2)cnc1Cl 514260879 RYBAUSYQGNSGKR-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#Cc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 575340936 HDTRQDRQZDHEAZ-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE Cc1c(CNc2c(F)cc(C#N)cc2F)oc2ccccc12 609670262 LWRDXASNKRWDGS-UHFFFAOYSA-N 298.292 4.503 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@@H](C)O[C@H]1C 686454077 AKZYACMYWHZCIU-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H](C)O[C@@H]1C 686464186 LSWXRYRDRUCJNL-TVFCKZIOSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@H](NC)[C@H]1CCC[C@@H](C(F)(F)F)C1 686690916 CTDPFHQMQMQWBE-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE C#CCCCCC[C@H](N)c1cc2cc(F)ccc2s1 686698684 HOHDAVLQGCHIPL-AWEZNQCLSA-N 275.392 4.624 30 10 CJEE CC(C)c1cccc(N=C2NC3(CCCC3)CCS2)c1 687323678 KQGYAZWYJUMJSF-UHFFFAOYSA-N 288.460 4.837 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]1OCC 689920438 BPJNKZTYHPKKKJ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCN(C)C1 690448928 LMHSIZVAAWSKSB-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CC[C@H]1CCCCC[C@@]1(O)[C@@]1(C#N)CCC[C@@H](CC)C1 691104024 NIVVNEBASOZRCI-OWSLCNJRSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](CC)Cc1ccccc1 692213505 HHVBJTWVMSMCTF-GUDVDZBRSA-N 271.448 4.732 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1Cl 692238984 ICNWCIBJZVEGMV-MLGOLLRUSA-N 281.802 4.704 30 10 CJEE C=CCCSCCN[C@H](CC)c1ccc(Cl)cc1 696017666 ISKKOXATNQBRAK-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE CC(C)C1(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CC1 697596837 UKTBBMWIKKOGCO-SNVBAGLBSA-N 296.197 4.606 30 10 CJEE C=CCCC(C)(C)CNCc1ccsc1C(F)(F)F 703969828 POMQHCSTXFJEPE-UHFFFAOYSA-N 291.382 4.849 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC23CCCCC3)C1 707345626 GCRCQXMSNSJNDA-BRWVUGGUSA-N 274.452 4.504 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1C[C@H]1C1CC1 711820980 VSOLYVLWBFXJEB-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE CC[C@H](C)[C@H](C)/N=C1/NC2(CCCCCCC2)CS1 713284306 INYKFTIXCOFFLB-KBPBESRZSA-N 282.497 4.597 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1C#N 714289550 GOYXAXSWXZEFTG-HEHGZKQESA-N 286.444 4.661 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CC[C@@H](C3CC3)O2)CC1 715437264 FHRYUGHMGUGLIN-MKFDVMFOSA-N 275.436 4.690 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)C[C@@H](C)CO1 718424706 DMEUUBRVQYUSPO-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](CC1C[C@@H](C)O[C@H](C)C1)NCC 724528818 BGIJDYRKIGMNJW-JFIYKMOQSA-N 283.500 4.919 30 10 CJEE C=C1CCC(CNc2ccc(N(CC)CC)cc2)CC1 724559166 HSLNHJRHPUQLRG-UHFFFAOYSA-N 272.436 4.691 30 10 CJEE CCCOc1ccc(C=Nc2ccc(CC)cc2)cc1 1081820454 JSCWWIJGVGFCOL-UHFFFAOYSA-N 267.372 4.788 30 10 CJEE Cc1cccc(N=Cc2ccc(Br)cc2)c1 1084093615 GCDDMUWYNDIFTO-UHFFFAOYSA-N 274.161 4.508 30 10 CJEE C=CC[C@H](C)NC(=O)c1cc(CC)c(-c2ccccc2)s1 1136802279 QVDXEWPUJFWOBG-ZDUSSCGKSA-N 299.439 4.672 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 1148070494 ZCVTWTWERQTHEQ-NEWSRXKRSA-N 299.458 4.774 30 10 CJEE CC(C)c1ccc(SCC(=O)c2cccc(C#N)c2)cc1 1165503115 DCPDDPLNOGLBIJ-UHFFFAOYSA-N 295.407 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BJBDKFJTYNBFSD-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCn1cc2ccc(C(=O)O)cc2c1 104680818 NBZNYJZGDFKYLK-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE CCCOc1ccc([C@H](C)CCS)c(C)c1C 107643076 QPSGRDZFFHXQRC-LLVKDONJSA-N 252.423 4.516 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@H](O)c1ccccc1 110022342 WIIXWDNZIGEFKN-MSOLQXFVSA-N 278.436 4.732 30 10 CJEE Cc1ccc(Nc2ccc(Cl)cc2C#N)cc1Cl 110250826 OICJVQWKGGJHQN-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C[C@@H]1C[C@H](Oc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 110261817 ZADNXKMZDCFWOY-RISCZKNCSA-N 277.795 4.805 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)CC2CCCCC2)C1 110264151 ZGGOVHWMTRUVDT-KBAYOESNSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@H](CC(=O)OCC)N1CCCCCC1 113038521 MCDSINBIXUPWOT-QGZVFWFLSA-N 297.483 4.545 30 10 CJEE CCCCCCCN1CC(CC)(CC)NCC12CCCC2 114071943 DQLYBNAOYHVJCY-UHFFFAOYSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@@H](CS[C@@H](C)CC)NC 114866375 YPIQOQVJMFFOTL-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCO[C@H](CC)C1 114875998 QKSNUOKCNUQWOL-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCCO1 114994207 APOQVUIFTCDDKO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1[C@@H](C)CC 115238081 MFQARNYAZIYLRT-INDMIFKZSA-N 296.543 4.691 30 10 CJEE CCCCCCC[C@@H](Cc1nc2ccccc2s1)NC 116000179 MNLOTYKZJMNBOT-AWEZNQCLSA-N 290.476 4.787 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cc(C#N)cc(Cl)n1 122562980 CPPPPWNPQXWKJT-NSHDSACASA-N 286.762 4.912 30 10 CJEE CCCCCCCCO[C@H]1CCC(C)(C)[C@@H]1NCCC 123878467 FJGUHLGPVPRXHU-DLBZAZTESA-N 283.500 4.920 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)cc1F 135232579 XPFIAPRNMGSHTJ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@@H](O)c1snnc1CCC 135353670 SNCFLNBPEWOENF-CQSZACIVSA-N 284.469 4.665 30 10 CJEE CCCCCCCCCCC(=O)c1cc(CC)nn1C 135630499 LXIMLLKZHLQJQA-UHFFFAOYSA-N 278.440 4.696 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC(C)(C)C[C@H]1C 156060166 SFLRVGUBACBKMV-PBHICJAKSA-N 256.393 4.516 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(F)cc1O 160823347 PGGKHEOPYUHABH-ZDUSSCGKSA-N 267.388 4.542 30 10 CJEE CCCCCCCCn1c(S)nc2c(F)cccc21 161085794 YTSLAVSHZONXCI-UHFFFAOYSA-N 280.412 4.825 30 10 CJEE CCCCCCCC[C@H](N)CCc1ccc2c(c1)CCO2 167334389 DZUNPAKSKMTWOT-SFHVURJKSA-N 289.463 4.632 30 10 CJEE CCCCCCCCCCC(=O)CCNC(C)(C)C 167773692 OCHJEPQWDSZTBO-UHFFFAOYSA-N 269.473 4.865 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(C)ccc1OC 167895772 MEFOUISSNOCMCF-QGZVFWFLSA-N 278.436 4.658 30 10 CJEE N#Cc1c(NC2CCCCC2)ccc2cc(Cl)cnc12 196595481 CINVXALROPHFAE-UHFFFAOYSA-N 285.778 4.504 30 10 CJEE CC/C(=N\O)c1ccccc1O[C@H]1CCCC[C@H]1CC 215965187 IEJAZZFSJCAEPK-BACBMZDUSA-N 275.392 4.623 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1OCC[C@@H]1C 228989753 VHVXRTICXGRUCR-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C#CCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 229644485 GFROWELBHCMELC-SNVBAGLBSA-N 288.193 4.587 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(Br)c1C 229754871 AXICUKVLNFSPBI-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 230773881 YREGBXIEWKDLKW-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@@H](CC(C)C)C2)c1 230779406 QULUHYXXNBPVQI-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE C=C(CNCCC)CSc1ccc(Cl)c(Cl)c1 231580946 QHCLLNWPISAWTM-UHFFFAOYSA-N 290.259 4.641 30 10 CJEE CCC(=CC(=O)c1cccc(Cl)c1Cl)CC 232881114 TYKMILRZIDDEAX-UHFFFAOYSA-N 257.160 4.923 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C)cc1Cl 232965221 HAARRLWEVBTGOK-INIZCTEOSA-N 282.859 4.903 30 10 CJEE C=CCN(c1ccc([C@H](CC)NCC)cc1)C(C)(C)C 233574169 OQPCAUOKAHNMHY-KRWDZBQOSA-N 274.452 4.538 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1cc(Cl)ccc1Cl 236212704 AIIYFNUORUNSQE-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1CCCc2ccccc21 236536748 KDESNVZWDPRNRC-ROUUACIJSA-N 258.405 4.604 30 10 CJEE C[C@H](CC#N)c1csc2cc(C(F)(F)F)ccc12 259900431 BDGFKOYOXCUQJC-MRVPVSSYSA-N 269.291 4.937 30 10 CJEE Cc1cc(NCC#CC(C)(C)C)cc(C)c1Br 305898828 XRNRHIUEGXPOBN-UHFFFAOYSA-N 294.236 4.527 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCOC[C@@H]1C 311521051 DVSRYXPSXMGABT-BBWFWOEESA-N 270.457 4.551 30 10 CJEE Cc1cc(N)c(Cl)cc1Oc1cc(Cl)ccc1C#N 311863580 YALVKRCDRUWKKZ-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=C([C@H](NCCC)c1cccc(Cl)c1C)C(F)(F)F 311975228 LRTZEXVTXHVNSI-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CCCCCCCCn1ccc(CNCCC)c1CC 312443013 UERNROZCJOBSBG-UHFFFAOYSA-N 278.484 4.911 30 10 CJEE O=CC1(C[C@@H]2Cc3ccccc3S2)CCCCCC1 316534592 BIIQRIGXSSPAEI-HNNXBMFYSA-N 274.429 4.633 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1cc(Cl)ccc1Cl 316872820 KRMJONUHCXUCPI-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1c(Cl)cccc1Cl 317252582 NQJYSIZWZQCJAB-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CC#CCC[C@@]1(CNCC(C)C)CCC[C@H](CC)C1 318111919 XHEWEWLKFYNTQF-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)CCC(C)(C)C)C1 381821174 NTSNERFNBIEKTC-PVAVHDDUSA-N 265.441 4.674 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(F)cc1Cl 384886691 SGXGKGMWFJFWRM-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCN(C)[C@H](CC(C)(C)C)C(=O)O 387695757 WEKACIIOJGRHRW-OAHLLOKOSA-N 285.472 4.558 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2ccccc2C)C1 394544936 VZLKOGJOUIAQFG-VYDXJSESSA-N 256.393 4.516 30 10 CJEE CSc1cccc(NC[C@@H]2CC3CCC2CC3)c1C#N 400091729 KXRKXRNJQXEHSP-RUXDESIVSA-N 286.444 4.518 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCCCCCCC[C@@H]1O 402435785 LPDMGGMAZQXWPW-IRXDYDNUSA-N 282.468 4.859 30 10 CJEE O=C1CCCCCCCN1CCCCCCCCCS 403919839 CHGBXXBYGLUQQB-UHFFFAOYSA-N 299.524 4.830 30 10 CJEE N#Cc1ccc(COc2cc(Cl)ccc2Cl)cc1F 404097692 CJFURRDVJDVJMX-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 514260046 ANJWIVWIOABULA-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE CCCCCCCCCCN1[C@H]2CC[C@H]1CC(=NO)C2 686146099 CAJAGGZZXFRFFC-IRXDYDNUSA-N 280.456 4.584 30 10 CJEE CSc1cccc(N(C)[C@H]2CCCCC[C@@H]2C)c1C#N 691053914 BIZNPHRKYLPZBP-ZFWWWQNUSA-N 288.460 4.685 30 10 CJEE CCCCCCCCC[C@H](N)Cc1sc(C)nc1C 691161126 MBFWJDZSKCUWQU-HNNXBMFYSA-N 282.497 4.770 30 10 CJEE CCc1ccc(CC)c(N[C@@H](C)CC(C)(C)C#N)c1 695816113 JKLOJZJKLQWPNJ-ZDUSSCGKSA-N 258.409 4.552 30 10 CJEE CCCCCCC[C@@H](CNC(C)(C)C)C1CCOCC1 696832925 XDRMCODSRJOEIG-KRWDZBQOSA-N 283.500 4.778 30 10 CJEE C=C1C[C@H]2CC(NCC(C)(C)CC(C)C)C[C@@H](C1)C2 697316469 WFSSHRYBFBLTSP-SJPCQFCGSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(C(=O)O)c1 710457220 COAPCJXXQQFQIV-MRXNPFEDSA-N 278.392 4.559 30 10 CJEE C=C(Cl)CC1(CNCCC)CCCCCCC1 710678815 AICQDTJLXIXCHS-UHFFFAOYSA-N 257.849 4.859 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCc2ccccc2C1 710691542 YDSDJKAYFJPUDW-GOSISDBHSA-N 291.866 4.692 30 10 CJEE CC1CCC(O)(C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 711154953 XUBMVGYHRZXRFB-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE C[C@@H](CC1CCCC1)/N=C1/N[C@@]2(CCC[C@@H](C)C2)CS1 712596822 KDQIACCJSAOSBK-JKIFEVAISA-N 294.508 4.597 30 10 CJEE CCCCCCCCCC(=O)c1cnn(C)c1C(F)F 714783612 PPKYQNQQSRWIPA-UHFFFAOYSA-N 286.366 4.681 30 10 CJEE CCCCCCCC(=O)C1C[C@@H]2CC[C@H](C1)S2 716040088 SPSFHNNHITWJRC-AGUYFDCRSA-N 254.439 4.590 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 720882900 HFGPAKIDDSOYMS-WHRQZHCMSA-N 275.436 4.690 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CNC[C@H]1C 722484038 ZHSBPXXKYDKZGP-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H](C)O[C@H](C)C1 724292469 JOBZQYZWXPHFIG-HZMVEIRTSA-N 269.473 4.658 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ncccc2C)CC1 724553449 IWSJEEBZRHZDKK-KRWDZBQOSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 724568576 TYCZGEAEEXBLSO-OKYOBFRVSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cnc(C)s2)CC1 724596698 PBPBIMGXMJSMLM-HNNXBMFYSA-N 278.465 4.629 30 10 CJEE Cc1cc2c(CC#N)csc2cc1SC(F)(F)F 725314303 LMVYJJHLBWLKQE-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCC(CC=C)C(=O)Oc1cc(Cl)ccc1Cl 1124230010 IQFZSQKQBLYTNN-UHFFFAOYSA-N 285.170 4.667 30 10 CJEE C=CCOc1cccc(NC(=O)C(C)(C)CC(C)(C)C)c1 1125353639 XPZBXQIDCAZYKG-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1CCCCCCC1 1126141953 SPGQCMSKRQRLKD-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=C(CC)CNC(=O)c1sc2cc(C)ccc2c1Cl 1129839897 RKIZJIVZMVCAKG-UHFFFAOYSA-N 293.819 4.559 30 10 CJEE C=CCCC1(CNC(=O)C[C@H](C)c2ccccc2)CCCC1 1130909697 CAPPXDAZKMDREW-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=CCn1c(S[C@H]2CC[C@H](C)C2)nc2ccccc21 1188053913 SISWUTOOWXXFIH-STQMWFEESA-N 272.417 4.503 30 10 CJEE C=C[C@@H](CC)CC(=O)NCC1CCC(CCCC)CC1 1264788843 DUDLBHWYYPXIBH-GTPINHCMSA-N 279.468 4.702 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 1292861500 WBLZLBUJIGJZOK-RBUKOAKNSA-N 299.458 4.506 30 10 CJEE C=CCCCCCCNC1CCN(C2CCCCC2)CC1 1308399180 QUOZSXJNQCKBIM-UHFFFAOYSA-N 292.511 4.510 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2C(C)(C)C2(C)C)c1 1311298265 ILDGPXCSUZAYEC-UHFFFAOYSA-N 286.419 4.523 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 1354054520 JUTGIMOCPQEULT-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE C=CCCCC(=O)N(C)c1ccccc1-c1ccccc1 1357522804 PCECXVNVZPOYIB-UHFFFAOYSA-N 279.383 4.673 30 10 CJEE C=CCN(Cc1ccccc1CC)CC1CCCCC1 1459493797 YBCWJIAARPPTPM-UHFFFAOYSA-N 271.448 4.817 30 10 CJEE CCCCCCCNCc1ccc(Cl)c(C)c1 1473915923 PRASMINONGJOGV-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@@H]1CC[C@@H](C)C1)c1ccccc1 1520288688 XOWWLSSCZSPIJW-LMMKCTJWSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1525671601 LJOZRLJGGWQJFT-RCCFBDPRSA-N 291.479 4.846 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2ccccc2n1CCC 1536778193 KROYGSQOJCQESP-HNNXBMFYSA-N 298.430 4.526 30 10 CJEE C=CCCc1ccccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 1539611529 HAPJEQIGXYCVTE-IRXDYDNUSA-N 297.442 4.960 30 10 CJEE N#Cc1c(F)cccc1Sc1cc(Cl)ccc1F 1559186434 FUDNEYIXQKGEIM-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE C=CCn1c(C)cc(C(=O)CSc2ccc(C)cc2)c1C 1559335597 HGACEHNAMQKYNL-UHFFFAOYSA-N 299.439 4.574 30 10 CJEE C=CCCCCN(CCCC)C1CC(C)(C)NC(C)(C)C1 1560035674 CITFIARBGGVVLH-UHFFFAOYSA-N 294.527 4.754 30 10 CJEE C=CCCCC[C@@H](C)NCC[C@@H](C)c1ccccc1 1560791390 INRDPXQZHUNHOW-IAGOWNOFSA-N 259.437 4.905 30 10 CJEE C=C(CC(C)C)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1584022770 XDXHSTLCWORETR-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CC[C@@H]1N(Cc2ccsc2C)CCCC1(C)C 1621291488 XQOWUWWOEACLHG-HNNXBMFYSA-N 263.450 4.623 30 10 CJEE C=CCCCCN[C@H](C)c1oc2ccc(OC)cc2c1C 1642625268 PLLYLPWULVBHLN-CQSZACIVSA-N 287.403 4.757 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 1652833003 XYTGUQSIYXBBKX-IKGGRYGDSA-N 293.401 4.587 30 10 CJEE C=C[C@H]1CCCCN1CCc1cccc(Cl)c1Cl 1653466518 BLFCMDZKUTVLAU-ZDUSSCGKSA-N 284.230 4.576 30 10 CJEE C#CC[C@@H]1CCCN([C@H](C)c2ccc3ccccc3c2)C1 1654001571 INALCQPTUUHFLP-IAGOWNOFSA-N 277.411 4.636 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1csc(C)c1 1654353874 SFPSSEDCOUVUIY-UHFFFAOYSA-N 271.429 4.635 30 10 CJEE C=CCCCCN(Cc1ccccc1)CC(C)(C)C 1657280158 HNTFGSYXZNMURH-UHFFFAOYSA-N 259.437 4.891 30 10 CJEE C[C@H](CCC#N)CN1CCCC(C)(C)c2ccccc21 1658228591 BLZMHTUHSLVNFO-OAHLLOKOSA-N 270.420 4.504 30 10 CJEE C#Cc1cccc(CNCC[C@H](C)CCC=C(C)C)c1 1658347472 SEMRKXRBJDVRRQ-QGZVFWFLSA-N 269.432 4.530 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)NC[C@@H](CCC)CCCC 1680359693 MBVCATGJGKVFDY-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C/C(=N\OCc1cccc2ccccc12)c1ccccc1 1857935914 IVSNRKSNBZLZHZ-HMMYKYKNSA-N 275.351 4.781 30 10 CJEE C#CCCN(CC(C)(C)C)CC1(C(C)(C)C)CCC1 1876737828 ZVASSMZMBXXIJI-UHFFFAOYSA-N 263.469 4.574 30 10 CJEE CCCC[C@@](C)(C#N)CC1CC2(C1)C(F)(F)C21CC1 1881850575 PXOMBKLAYCZINE-JVWICGRDSA-N 267.363 4.922 30 10 CJEE CCCCCCCCCCN1CC2(CCC2)CC1=O 1883841325 ZAVWYGWMSNYPQV-UHFFFAOYSA-N 265.441 4.530 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccccc1C(C)(C)C 1884627852 APQXDJQJRCIGEX-INIZCTEOSA-N 257.421 4.525 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 1885227230 HCPJRLSJMPVNEX-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE CC#CCCCCSc1ccc(C(F)(F)F)cc1N 1885229434 SNGQYFAKBWNHNZ-UHFFFAOYSA-N 287.350 4.573 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@@H](C)C1CCCCC1 1888681741 HZUHFYRWGSBRFS-YJBOKZPZSA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CCC(C)CC1 1888688494 HJLWXHRUMIFLET-UYJHFMRCSA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@@]1(O)CCCC[C@H]1C(C)(C)C 1888705368 KANIIOKSAOPGDB-WMZOPIPTSA-N 258.405 4.667 30 10 CJEE C[C@H]1CC[C@H](CN=C2NC3(CCCCCCC3)CS2)C1 1911948105 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CCCCCCCC[C@@](C)(OCCN)C1CC(F)(F)C1 2294575402 PRROGRVORQDROP-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2ccc(Cl)cc2n1 2294966345 GOYBYAAMTXEGNU-OAHLLOKOSA-N 288.822 4.895 30 10 CJEE Cc1cccc(NCc2ccc(C(F)(F)F)s2)c1C#N 2295063009 SVTJOACEODCMJC-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NC)C(CC)CC 2295679344 OLFHGLBSZDAFOF-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE C=CCOc1ccccc1C=C1Sc2ccccc2C1=O 2297531806 PBGVLBGYDPISGE-UHFFFAOYSA-N 294.375 4.581 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(C)c(Cl)cc1C 2302874295 UYVZTTYBXJJRDS-HNNXBMFYSA-N 251.801 4.574 30 10 CJEE CCCC[C@](C#N)(CC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2309125908 MJGHWZSEVMXJLO-CRWXNKLISA-N 255.352 4.778 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cc(C)c(Cl)c(C)c1 2319260026 BXBGCUCHYIJTFY-GOEBONIOSA-N 263.812 4.574 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C)c(F)c1Cl 2319295968 JETDFUPJCILNGQ-ZDUSSCGKSA-N 269.791 4.794 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc2sccc12 2321103904 BJJLIRBOKFHICM-HZPDHXFCSA-N 259.418 4.894 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]1C1CCCC1 2321219195 GMZMAOMMJKAFDF-QAETUUGQSA-N 250.426 4.556 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]2C2CCCC2)NCCC)C1 2332773256 HTIFVWNGLVVMTA-RYQLBKOJSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC[C@H](NCCC)[C@H]1C 2335187975 NBOVKGWAFDVKIC-HYVNUMGLSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Nc1ccc(C(F)(F)F)cc1F 2335203488 MEDDJDAMPXRAOP-UHFFFAOYSA-N 273.273 4.777 30 10 CJEE CC(=CC[C@@]1(C=O)CCO[C@@H](C)C1)CCCC(C)C 2338451520 CVOHESLCSBSLCF-DLBZAZTESA-N 266.425 4.533 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338685603 CBYZJCYWFPIULE-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(C)c(Cl)s1 2339566070 JEDMPOBICZKRDA-STQMWFEESA-N 295.879 4.800 30 10 CJEE C#C[C@H](NCCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341126346 HRVJWZLUWRPQJX-HNNXBMFYSA-N 298.257 4.564 30 10 CJEE C[C@H]1CC(=O)C=C(c2ccc(Cl)cc2C(F)(F)F)C1 2342317180 PNAMMMRUFNROSF-MRVPVSSYSA-N 288.696 4.741 30 10 CJEE C=CC1(CNCc2cccc(C(C)C)c2)CCCC1 2343754068 VJWBLUFDTDNECB-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C=CC[C@@H](C)[C@@H](CCc1ccc(Cl)cc1)NCCC 2344339610 KQHQQLAZHNISDX-RHSMWYFYSA-N 279.855 4.853 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@]12CCC[C@H]1C2)NCCC 2344342688 ASZSFYWBWBKJNA-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC12CCCCC2)NCC 2344384234 VRZBDNQNMLZASH-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC12CC(CCN1CC[C@@H](C)CCCC(C)C)C2 2351695232 ZQGRPJVHUUTDTB-AOCRQIFASA-N 263.469 4.879 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C[C@@H](CC)CCC 2353457343 UWTAIEZSILYEFR-BBWFWOEESA-N 271.489 4.642 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccc(F)cc1SC 2353847188 XAQYTAPCXTVHDC-OAHLLOKOSA-N 280.408 4.555 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CCC[C@@H]1C[C@H]1C)NCC 2356060493 NDHVGQWBQVFMRF-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCC(=O)O 2360017777 ZQFYSIQZNYSWEZ-VYDXJSESSA-N 284.440 4.643 30 10 CJEE Cc1ccc(CN[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 20175399 ZGPXCKQCWQZMPM-LJQANCHMSA-N 292.426 4.647 30 10 CJEE Cc1ccc2c(c1)/C(=N/c1ccccc1)c1cccnc1-2 32267605 UXSFMRQBCROXHX-XUTLUUPISA-N 270.335 4.540 30 10 CJEE Cc1csc2nc(-c3ccc(C(C)C)cc3)c(CC#N)n12 36255964 QUVSBZFJXHYFGO-UHFFFAOYSA-N 295.411 4.561 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccccc2)cc1 37935266 LXLPGARQPKDFFT-KRWDZBQOSA-N 264.372 4.661 30 10 CJEE Cc1cc([C@H](C)N[C@H](CC#N)c2ccccc2)c(C)s1 55018143 RHJQHRHWPOGAPQ-SUMWQHHRSA-N 284.428 4.671 30 10 CJEE CC(C)(C)c1ccccc1Nc1ccc(C#N)cc1F 71174450 ZWASFRMYRINSEE-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE Cc1cccc(Cl)c1Nc1cc(Cl)ccc1C#N 90537808 KKYDBIOZFOSGBG-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2csc3ccccc23)C1 91883258 SPLOEEZUMWPFIK-CSMYWGQOSA-N 285.412 4.655 30 10 CJEE CCC(CC)(CS)COc1ccc2c(c1)CCCC2 94585749 HDHYUZQJZBKMOZ-UHFFFAOYSA-N 278.461 4.680 30 10 CJEE N#Cc1ccc(Sc2cccc(F)c2)c(Cl)c1 94623113 CPHOGKQLHXUSKJ-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE Cc1cc(C)cc(CSCC2(CS)CCC2)c1 94721438 KCIQQDUCTYCJCP-UHFFFAOYSA-N 266.475 4.637 30 10 CJEE C=C(CC)C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC 97208976 UAAPCAIMOSQOBN-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CCCCCCCNCCNc1ccccc1C(C)C 100052489 CXLPPXPJDOZHOP-UHFFFAOYSA-N 276.468 4.782 30 10 CJEE CCCCCCCCCCn1nc(C)c(C[C@H](C)N)c1C 109010576 KBGNJCURCPLQFM-HNNXBMFYSA-N 293.499 4.530 30 10 CJEE CCCCCCCCCCOc1c(CN)cccc1OC 110093671 NZNRONYHEJATNK-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cc(Cl)ccc1F 110254416 VSKYAJMPIDYIFH-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 110255420 NCDHHSRBFFLFNQ-LLVKDONJSA-N 284.325 4.958 30 10 CJEE CCCCC[C@@H](C)Nc1cccc(Cl)c1C#N 110255431 KPRIPWLWUQEURO-LLVKDONJSA-N 250.773 4.592 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)cc1F)NCC 114783125 METCPYFUMRHAKQ-INIZCTEOSA-N 283.406 4.846 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1COc2ccccc2O1 115775184 NQHLVWDLJVSVAT-SFHVURJKSA-N 290.403 4.536 30 10 CJEE CCCCCCCCCCCC(=O)N[C@](C)(C#N)CC 115857463 SXPNPRBHZIKGDP-KRWDZBQOSA-N 280.456 4.716 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)c(C)c1 122380719 YKCDRUHIPGWDFR-INIZCTEOSA-N 282.859 4.903 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccccc1OC(F)F 125791682 YFHYKIZGTVOPOQ-AWEZNQCLSA-N 283.362 4.685 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)OC 129143780 JQYQRCPTVCYTHI-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE Cc1c(F)cc(C#N)cc1NCc1cccc(C(F)F)c1 131800256 WEPFOSFVXYJIIU-UHFFFAOYSA-N 290.288 4.556 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(COC)o1 132894873 BVVIEMOUAPDMMC-HNNXBMFYSA-N 267.413 4.567 30 10 CJEE N#Cc1c(C2CCCC2)nn(C2CCCCC2)c1Cl 134264546 IESBFDKOHZOCOL-UHFFFAOYSA-N 277.799 4.571 30 10 CJEE CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)s2)cc1 134663181 CMTUAWFPTITTCE-STQMWFEESA-N 284.428 4.594 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cc(CC)nn1C 140440848 MSCSWUPINYLELJ-KRWDZBQOSA-N 293.499 4.774 30 10 CJEE COc1ccc(C#N)c(Oc2ccc(Cl)cc2Cl)c1 150085042 KFLFZLVNMDZGED-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE C=CCCC[C@@H]1CCCCC[C@@H]1CNC(C)(C)C 155856266 BSMKVGCXVWCFPL-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@@H](CCCCCCCCCCC)NN 158625679 YJLQDUBAJZYSBM-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)s1 158912952 CMQLERLDWSAORG-AWEZNQCLSA-N 271.857 4.524 30 10 CJEE N#Cc1ccccc1CSc1ccc(O)c2ccccc12 163416442 XWDWBCWBFOKYNI-UHFFFAOYSA-N 291.375 4.709 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218321326 JOLUGZDZHSPJSQ-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C2CCC(C)CC2)C1 222795618 XIFIGZXVHHULCA-MGDNZTJNSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)[C@@H](C(=O)O)C1 223834075 VAOCDUWUIFFLMV-SJORKVTESA-N 297.483 4.560 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCCc2cccnc21 229776255 LHKQQSYUFWKVML-ZWKOTPCHSA-N 288.479 4.840 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H](OCC)C1CCCCC1 233757836 RVRJHJHIFVZCOJ-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C[C@@H]1CCC[C@H](SCc2cc(F)ccc2C#N)C1 235302934 FWXRFUQKHZDSDB-ABAIWWIYSA-N 263.381 4.509 30 10 CJEE Cc1cc(Cl)ccc1CNc1ccc(C#N)c(Cl)c1 235798708 UGOBWYAVBOSZKK-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C)c(Cl)c2)c1 235927459 OJLQBPYUPGIPDO-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2ncccc2c1 236394306 UAEFQDGRNVWVGI-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=C(C)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 248148879 FZNHADICNKIXIN-UHFFFAOYSA-N 286.758 4.526 30 10 CJEE CCC1(C)CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 251272434 PFKJFOJDNSXDTL-GVDBMIGSSA-N 290.495 4.853 30 10 CJEE COc1c(F)cc(C(C)C)cc1C1(C#N)CCCCC1 260650509 UTAUDRFPWNOEAR-UHFFFAOYSA-N 275.367 4.683 30 10 CJEE C=CCCCCCCN[C@@H]1CCCC[C@@H]1C(C)C 310910351 HBHDYKMYVBTAQC-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](N)CCC1(OC)CCC1 311712306 OAUVIRHVPLSUSI-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCCOc1ccc(CC(C)=NO)cc1 312149375 AYOSATHNXRZMCG-UHFFFAOYSA-N 277.408 4.819 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc2c(n1)CCC2 312538782 KUBJSWANRXWMST-QGZVFWFLSA-N 274.452 4.581 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@]2(C=O)CCc3ccccc3C2)C1 316849395 IQGBFFWFAGAGSW-ATZDWAIDSA-N 270.416 4.577 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1cccc(Br)c1 319629970 ATEJZZJJKUFFAV-GWCFXTLKSA-N 298.249 4.725 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(OC(F)F)cc1 320051184 PYIQTHHZFRDFOR-WDMOLILDSA-N 267.319 4.577 30 10 CJEE CCC[C@@H](Nc1cc(Cl)ccc1C#N)C1CCC1 322353009 FCCZXVAXUGFKOH-CQSZACIVSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccc(OC)nc1 383990527 IWEOKJGXWXIIPM-INIZCTEOSA-N 278.440 4.621 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc2ccsc12 386412569 JYNHDGLWDFVWOQ-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1CCC(F)(F)C1 386531544 WSQYYVJRWXVLGJ-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE N#CCc1cc(Cl)c(C(F)F)c2sccc12 396191668 PPMDGLFIZKLWDZ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1CCOC1)NCC 400938154 BSBPKASHCGQHRY-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CC)c1ccccc1 410344064 JRZIHLSMWCBHGB-SFHVURJKSA-N 293.410 4.938 30 10 CJEE CC(C)c1ccc([C@@H](C)NCC2CCC(C#N)CC2)cc1 442092942 YKGKLWPGSRDPGI-KLAILNCOSA-N 284.447 4.791 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(C#N)Nc1ccccc1F 691085879 DSYMVDDDDOVDSJ-PBHICJAKSA-N 274.383 4.736 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC(C)(C)CC(F)F)C1 694122251 RXBXSSZYUYNFDO-IUODEOHRSA-N 260.368 4.843 30 10 CJEE Cc1cc(O[C@@H](C)CC(C)(C)C#N)ccc1C(C)C 695874795 XAQRIYJOXMMTQT-AWEZNQCLSA-N 259.393 4.826 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(N)CC2(CCC2)C1 696616326 NRBMPPNNBXAHIR-MRXNPFEDSA-N 281.484 4.540 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1csc(Cl)c1 701875002 GRIAXSXACSEDLW-JTQLQIEISA-N 257.830 4.654 30 10 CJEE Cc1c(Cl)cccc1OC[C@H](CS)C(C)(C)C 702656442 ZLMSMWCKUXEPTD-LLVKDONJSA-N 272.841 4.619 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc(Cl)c2C)c1 702669643 HNWZEFXIYMEVOH-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCNCc1[nH]c2ccccc2c1Cl 703782377 INBLMLBNPJHDSF-UHFFFAOYSA-N 278.827 4.881 30 10 CJEE CCCCCCC[C@@H](N)c1oc(C)cc1Br 706331593 IHZBJCFADCWYQY-GFCCVEGCSA-N 288.229 4.711 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1cccc(CC#N)c1 709256597 SQOXBACBFRCCRP-ZWKOTPCHSA-N 270.420 4.769 30 10 CJEE CCCCCCCOC[C@H](NC)c1ccccc1Cl 709516964 OIGIHFTZFPXWIC-INIZCTEOSA-N 283.843 4.588 30 10 CJEE CC[C@@H]1CC[C@H](/N=C2/NC3(CCCCCC3)CS2)[C@H]1C 713212259 ARAXBJYQFMXVPZ-ZNMIVQPWSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CCCCC[C@@H]1/N=C1/NC2(CCCCCC2)CS1 713215834 QJEJWTCWZKSBPS-CABCVRRESA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@H](CCCc1cccs1)NCCC 715767785 FBDKTZMUBLXYIB-ZBFHGGJFSA-N 265.466 4.651 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 715798668 WSIJLGVAMQIXGD-XSLAGTTESA-N 265.485 4.887 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(F)c(Cl)c1 715801697 ZEYUIIZOMUIQAQ-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)ccc1OC 715828842 JRSPZBBHYMMWPL-WBMJQRKESA-N 281.827 4.602 30 10 CJEE C=CCC[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 1124242073 VQWNLVPSNNGVLE-SFHVURJKSA-N 279.383 4.684 30 10 CJEE CC#CCCCC(=O)NCc1ccc(C2CCCCC2)cc1 1129180490 JVCXXVIXOIOMDK-UHFFFAOYSA-N 297.442 4.544 30 10 CJEE C=CCC1(NC(=O)/C(C)=C/C2CCC(C)CC2)CCCC1 1131040288 DZYJQMCQROPZDW-JQIJEIRASA-N 289.463 4.764 30 10 CJEE C=CCCC[C@H](NC(=O)C(C)=C1CCC1)c1ccccc1 1132948800 KWSCSTQWPPRSNJ-SFHVURJKSA-N 283.415 4.701 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 1137483575 FVLMPWLVITURPK-KQDNUWKFSA-N 297.442 4.827 30 10 CJEE C=CCCC1(CNCc2cc(C)oc2C)CCCC1 1179142805 NUSJHQDUZRNQCQ-UHFFFAOYSA-N 261.409 4.513 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc([C@@H]2CCOC2)cc1 1182061460 FPZYQFFATYDACK-DOTOQJQBSA-N 273.420 4.737 30 10 CJEE C=C1CCN(C(=O)/C=C/CCCCCCCCC)CC1 1292890003 SGOJKEYGYSESAT-VAWYXSNFSA-N 277.452 4.862 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@@H](SC)C1 1307505500 HLQSDDYADWNMCT-HUUCEWRRSA-N 257.487 4.563 30 10 CJEE C=CCC[C@@H](CCC)NCCc1nsc2ccccc12 1308880502 AUFVJLJKHDSTDB-CQSZACIVSA-N 288.460 4.563 30 10 CJEE C=CCC[C@H](C)N[C@H]1CCc2cccc3cccc1c23 1308948281 LVPQFNNFLGDYDE-KSSFIOAISA-N 265.400 4.771 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H]2CCCC[C@H]2CC)C(C)C)c1 1352614055 UCMVGPCAMSNTBB-IEBWSBKVSA-N 297.442 4.626 30 10 CJEE C=C(C)CCC(=O)N(CCCC)[C@@H](C)c1ccccc1 1435262747 XGTROIXQAOEUAV-INIZCTEOSA-N 273.420 4.733 30 10 CJEE C#CCC1(NCCC2CCCCCC2)CCCCC1 1460826071 AXORGCINICCNSR-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc2cccc(C)c2o1 1472831076 PGTVXJVYFNUKPI-KGLIPLIRSA-N 270.376 4.683 30 10 CJEE C#CCCCCCCN1CCC[C@@H](Cc2ccccc2)C1 1473150713 SNLSRCDGBQOQDM-FQEVSTJZSA-N 283.459 4.525 30 10 CJEE C=CCC1(C(=O)NCCCCC(C)(C)C)CCCCC1 1521206257 HLZAHCIDEQPKAR-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CC1(CC(=O)Nc2cccc(SC)c2)CCCCC1 1529895083 YCNHWNHLYALUFU-UHFFFAOYSA-N 289.444 4.874 30 10 CJEE C=CC(C)(C)CCNC(=O)CC(C)(C)C1CCCCC1 1533452386 XJLGKKJNQAOZDI-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(SC2CCCC2)cc1 1534231909 VEWXXWZJIWGURW-UHFFFAOYSA-N 289.444 4.872 30 10 CJEE C=CC[C@H]1N(C(=O)CCc2ccccc2C)CCCC1(C)C 1538657839 RBKUNEHJAZUEQC-GOSISDBHSA-N 299.458 4.521 30 10 CJEE C[C@H](Sc1nc(C#N)c(Cl)s1)c1ccccc1F 1559085160 AKOFFAODAJMVLR-ZETCQYMHSA-N 298.795 4.661 30 10 CJEE C=C(C)COc1cccc(NCc2cc(C)ccc2OC)c1 1560382295 REPZNCUTUDJJME-UHFFFAOYSA-N 297.398 4.571 30 10 CJEE C=CCOc1ccc(CNC[C@@H]2CCC[C@@H](CC)C2)cc1 1560469508 FPGXEAWEJXLYFY-SJLPKXTDSA-N 287.447 4.557 30 10 CJEE N#CC1(CSc2ccc3c(c2)CCCC3)CCCC1 1613875535 BJZAXJFINBAVFF-UHFFFAOYSA-N 271.429 4.741 30 10 CJEE C=C(C)[C@@H](CC(=O)Nc1cccc([C@H](C)CC)c1)OCC 1618230809 UKSWMFNCDIRDKU-RHSMWYFYSA-N 289.419 4.510 30 10 CJEE C=CC(C)(C)CCNCc1cccc(Oc2ccccn2)c1 1621016732 VLVJHPFMZAWLAG-UHFFFAOYSA-N 296.414 4.566 30 10 CJEE C=CCC[C@@H](CC)Nc1cnn(CCCC)c1C(C)C 1621300988 NUYFLVCBMPMHRZ-OAHLLOKOSA-N 277.456 4.963 30 10 CJEE C=CCCC(C)(C)CNC(=O)OCc1cccc(Cl)c1 1622433721 ADEUVXRONVKIPY-UHFFFAOYSA-N 295.810 4.559 30 10 CJEE C=C(CC(C)C)C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 1632019210 BFHLKRZRLFXASY-SFHVURJKSA-N 295.426 4.509 30 10 CJEE C=C(CC)CN1CCC[C@H]1[C@H](CC)c1ccccc1 1641879426 IKVGGMXYRLEQRY-MSOLQXFVSA-N 257.421 4.611 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1cccc(F)c1 1643538820 SUXAITYFUNFGRQ-GOSISDBHSA-N 275.411 4.579 30 10 CJEE C#Cc1ccc(NC[C@H](CCC)c2ccccc2)cc1 1651655796 OQSSVVNAFUJXGU-SFHVURJKSA-N 263.384 4.664 30 10 CJEE C=CCNc1nnc(S[C@H](CCC)CCCC)s1 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4.536 30 10 CJEE C=C(COCc1ccccc1)[C@H](N)CC[C@H](C)CCCC 1906718090 LOCWPFBZBRZBIW-VQIMIIECSA-N 289.463 4.693 30 10 CJEE CCCCCCCC1(C(=O)O)CC2(CCCC2)C1 1912732320 MGFVIYPWNOLWLX-UHFFFAOYSA-N 252.398 4.772 30 10 CJEE CC1(C)CCC[C@@]1(C#N)[C@]1(O)CCC2(CCCCC2)C1 1915917960 SVJJFGVBGBUFOZ-ROUUACIJSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@@](C)(OC1(C)CCCC1)C(=O)O 1919015496 JXMNUQPQKDHLPC-MRXNPFEDSA-N 270.413 4.540 30 10 CJEE CC[C@H](C)C[C@](O)(CC)[C@]1(C#N)CCC[C@@H](CC)C1 1921060387 OGUAVKOSFIBRCR-YLFCFFPRSA-N 265.441 4.674 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@H]1CC1(C)C)NCC 1921138687 ZOKGRRQZOYVPNI-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE N#C[C@]1([C@@H](O)C2CCCCCCC2)CCCC12CCC2 1921305197 OHJHCVGTDGBQOS-WMZOPIPTSA-N 275.436 4.572 30 10 CJEE Cc1cccc(N=C2N[C@@H](CC3CCCCC3)CS2)c1 1926697065 DPJRSLXKNFKIME-INIZCTEOSA-N 288.460 4.658 30 10 CJEE CC(C)=CC(=O)c1c(Cl)ccc(Cl)c1Cl 1959896959 FQYJPGHPHQKRPB-UHFFFAOYSA-N 263.551 4.796 30 10 CJEE CCC#CCn1ccc2cc(OCc3ccccc3)ccc21 1962137413 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GRGVYDHUVMZHPP-HNNXBMFYSA-N 274.433 4.549 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CCCCCOC(C)(C)C 2099285389 MXUHYXDAPIITDW-WBVHZDCISA-N 268.441 4.757 30 10 CJEE Cc1sccc1[C@@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2100878878 DIZFVCJGPZAZCT-GDBMZVCRSA-N 277.433 4.590 30 10 CJEE C=CCC[C@@H](C)[C@H](Cc1cccc(C)c1)NCCC 2102105831 PTKDVLNQYMRUMG-AEFFLSMTSA-N 259.437 4.508 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2102116736 QJPQDMHXLFCLAL-LJISPDSOSA-N 274.395 4.779 30 10 CJEE CCC[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)CC1 2103220296 XFZQWOZNUJDXBD-CVEARBPZSA-N 264.457 4.655 30 10 CJEE CCC1(OCCCCCC2CC2)CCC(=NO)CC1 2105166894 WTZZXDALJRONBK-UHFFFAOYSA-N 267.413 4.526 30 10 CJEE O=C(C1=CCCCCCC1)c1cc(C(F)(F)F)ns1 2107833774 XTKFACLPGCQNTF-UHFFFAOYSA-N 289.322 4.625 30 10 CJEE CCCC[C@](C#N)(CC)[C@]1(O)C[C@H](C)CC(C)(C)C1 2108213177 JHARQHJMJZBXOF-PVAVHDDUSA-N 265.441 4.674 30 10 CJEE N#C[C@]1([C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)CCCC12CCC2 2109748471 XHJVHINCDUEKBW-BHPKHCPMSA-N 265.347 4.532 30 10 CJEE CCCC[C@](C)(C=O)C[C@H]1CC2(CCCCC2)CO1 2109929746 CUBYNABSEOYPTJ-HOTGVXAUSA-N 266.425 4.511 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CCCC[C@@H]1c1ccccc1 2110800509 UFAHJRGUUMPLJW-CGTJXYLNSA-N 257.421 4.657 30 10 CJEE C=CC1(CN[C@H]2CC[C@@H](C)c3ccccc32)CCC1 2111704311 FAUGHMWQMAAGCO-PBHICJAKSA-N 255.405 4.571 30 10 CJEE Cc1ccc(C)c(C[C@]2(C#N)CCCC(C)(C)C2)c1 2112246340 UWDFNTGJKLHLRF-GOSISDBHSA-N 255.405 4.956 30 10 CJEE C#Cc1ccccc1CNc1c(Cl)cc(F)cc1Cl 2113850684 VEUCDJMHUKIBOF-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C#CCCCC[C@]1(CNC2CC2)CCC[C@@H](CC)C1 2116877716 WDUULDQIMBPGFT-AEFFLSMTSA-N 261.453 4.519 30 10 CJEE O=C[C@@]1(CCc2ccccc2)CCCCC12CCC2 2117053639 MMHJANOFOTYBHC-SFHVURJKSA-N 256.389 4.549 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@H]2C[C@@H]3CCC[C@@H]3C2)C1 2127018877 QGURISCGBIOVGW-BJWYYQGGSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCc1nc(C2CC2)c(CN)s1 2131438648 SHNRTHSPWFTTRU-UHFFFAOYSA-N 280.481 4.772 30 10 CJEE N#C[C@]1(Cc2cscc2Cl)CCOC12CCCCC2 2134029429 HLYBQDAQGZJTRI-CQSZACIVSA-N 295.835 4.577 30 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C=C1C[C@H]2CC(NC[C@@H]3C[C@@H]4CCCC[C@H]43)C[C@@H](C1)C2 2145442308 GQPNBYCDKDRADG-MCCHVRFWSA-N 273.464 4.537 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1ccccc1C(C)C 2147372627 DUILIVODMVOALR-QZTJIDSGSA-N 277.452 4.531 30 10 CJEE C=C[C@](C)(CNC1CC1)CC1CCC(C(F)(F)F)CC1 2149105818 WEMLRZBRGRPMDZ-PIMMBPRGSA-N 289.385 4.690 30 10 CJEE CCCCCCCCCCN(C)C[C@H](NC)C(C)(C)C 2149351183 QMZQTCDGYONZOS-KRWDZBQOSA-N 284.532 4.693 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@@H]1CCCc2cccnc21 2149430748 NALSBFUREUCEJL-MAUKXSAKSA-N 268.404 4.612 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C(C)(C)O 2149532222 TZSAENCKLZRPFT-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCO[C@@H]1CCCC2(CCC2)[C@@H]1NC 2153477262 KOTUTWKZPSSRFF-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CC(C)C[C@H](C)[C@@](C)(O)C1(C#N)CCC(C(C)C)CC1 2153923426 OSKZWOXLTYFVHE-PBHCIXSXSA-N 279.468 4.776 30 10 CJEE C#CCCCCC[C@](C)(N)c1ccc2ccccc2c1 2154678969 AGHPPLSJPJOPSN-IBGZPJMESA-N 265.400 4.597 30 10 CJEE CCCCCCCCCCO[C@H]1CNC2(CCCC2)C1 2155277534 ZHRVPVAKYWWXOS-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE CCCCCCCCC[C@]1(CNC)C[C@@H](OC)C1(C)C 2156666795 VUIGDRGHSATTHH-SJLPKXTDSA-N 283.500 4.778 30 10 CJEE Cc1ccccc1[C@@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2157117291 LSSAVWLZMYZXGC-AEFFLSMTSA-N 271.404 4.529 30 10 CJEE CSc1cccc(N[C@H](C)C2CC3(CCC3)C2)c1C#N 2161781940 WTSUCEGNGSGNFN-GFCCVEGCSA-N 286.444 4.661 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)C1CCC(C(C)(C)C)CC1 2164469073 FXUDKHCTCJZNOC-AJTLQJAISA-N 279.468 4.920 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CCCCCC2(F)F)CC1 2164915697 WWJMBSRYSBNPQQ-HZPDHXFCSA-N 285.422 4.927 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1ccccc1C1CC1 2167610140 UKVHIDRZZHNXCM-SFHVURJKSA-N 269.432 4.654 30 10 CJEE N#C[C@@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCc2ccccc2C1 2168137306 BMJQNSVJAQBONQ-YDZRNGNQSA-N 265.400 4.512 30 10 CJEE C=C(C[C@]1(CNC(C)(C)C)CCCC(C)(C)CC1)OC 2171010025 JSTACMZIWXURFK-SFHVURJKSA-N 281.484 4.901 30 10 CJEE CCCC(C=O)(CCC)CN1CCC[C@@](C)(CC)CC1 2172257807 XUCQUZCMEIARCI-QGZVFWFLSA-N 281.484 4.674 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(OC(C)C)cc1 2173290201 KSASESRUCBLOFE-QAPCUYQASA-N 275.436 4.727 30 10 CJEE C#CCCCC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2173466073 KQOSYACOZHJQHB-MANSERQUSA-N 275.480 4.765 30 10 CJEE CC1CCC([C@@](C)(O)[C@@]2(C#N)CCCCC2(C)C)CC1 2173631294 BSTAFDFWJTUFQW-NANBGGJNSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCOC[C@@H](CN)C1CC1 2176263815 GVQPAJDMDPGCPP-GOSISDBHSA-N 283.500 4.909 30 10 CJEE CCCCCCCCCN1CC[C@H](NCCC)C1(C)C 2176399938 LZTREONENSISHP-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1[C@@H]2CCO[C@@H]21 2176479536 RWJWNAIHKRRGIH-XSLAGTTESA-N 281.484 4.530 30 10 CJEE CN(Cc1ccc2sccc2c1)C[C@@H](C#N)C(C)(C)C 2177199780 RXOPYTKUYVIXAQ-OAHLLOKOSA-N 286.444 4.519 30 10 CJEE CC(C)[C@@H]1[C@@H](C)CC[C@H]1Nc1cc(Cl)c(C#N)cc1F 2177383231 KHJCXHMDSHMIPH-DRZCJDIDSA-N 294.801 4.833 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(O)CCC(F)F 2177855938 PGRFAXXVDLVMLZ-MRXNPFEDSA-N 292.410 4.883 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@](C)(O)C(C)(F)F 2178855571 VIETVGMGSYAPST-CABCVRRESA-N 293.442 4.511 30 10 CJEE C/C=C/CCC[C@@H](NC)[C@H](O)CCCCCCCCC 2179781913 IHEWNXMAGHPKON-JORFTBQQSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2183410218 JWHSUCWZTCXXRA-MLHJIOFPSA-N 280.500 4.785 30 10 CJEE C=C([C@H](NCC)c1ccc(C(C)(F)F)cc1)C(F)(F)F 2184811295 SABGFMJRVXNPJL-LBPRGKRZSA-N 293.279 4.567 30 10 CJEE O=C[C@@]1(CCCOC2CCCCC2)CCCC(F)(F)C1 2184862264 UCRQYFGXBUXFDM-OAHLLOKOSA-N 288.378 4.511 30 10 CJEE CCc1ccc(C#N)c(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)c1 2188840171 KECGWVYPTWMBPI-IIAWOOMASA-N 270.420 4.747 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OCCF)cc1 2189498222 WIKKGRUQNSYMPA-KRWDZBQOSA-N 282.399 4.819 30 10 CJEE C=CCC[C@@H](C)N(C)c1ccc(C#N)c2ccccc12 2190851728 GMQCRCIVBAXWRE-CQSZACIVSA-N 264.372 4.502 30 10 CJEE CCCCCCCC[C@H](NCCC)C12CC(C1)[C@H](C)O2 2193088802 VZNBJFBGOVFMFM-NALMEZQBSA-N 281.484 4.673 30 10 CJEE CC#CCCCC[C@H](NC)C1(C(F)(F)F)CCCCC1 2196174145 KVWPHKPLBBVRLH-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE C=CCCCCC[C@](C)(O)c1ccc2c(c1)CCCC2 2196480500 FGPKVQCAWNVLBJ-IBGZPJMESA-N 272.432 4.909 30 10 CJEE C#CC[C@@H](C[C@]1(O)CCCC2(CCCCC2)C1)C1CC1 2196720665 VRNVCYFYKBQABA-PKOBYXMFSA-N 274.448 4.682 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H](C)C(F)(F)F)NCCC 2197138309 VPHFAENVNHYLNH-IUODEOHRSA-N 285.353 4.657 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCC1 2200047087 GIYHEMSPSIXHEN-QRVBRYPASA-N 275.480 4.765 30 10 CJEE Cc1cc(OC[C@H]2C[C@@H]2C(C)(C)C)c(C)c(C)c1C#N 2200492590 OYSNWCZQHBMYFM-ZBFHGGJFSA-N 271.404 4.545 30 10 CJEE C#C[C@H](N[C@@H](CC)c1cccc(C)c1)C1CCCCC1 2203800857 NRROKQPEUQULEA-OALUTQOASA-N 269.432 4.618 30 10 CJEE CCCCC#CCC1(CNCCC)CCC2(CC2)CC1 2203810554 PAYIYFDLYUUMGL-UHFFFAOYSA-N 275.480 4.910 30 10 CJEE CCCCCC#CC[C@]1(N)CCCCc2ccccc21 2203817644 AJSVGKMXQJGPJK-IBGZPJMESA-N 269.432 4.541 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 2203819069 KFSXTLHGTMFLOU-FKSLSLAPSA-N 275.480 4.621 30 10 CJEE C=C([C@@H](NCCC)C1C2(CCC2)C12CCC2)C(C)(C)C 2203965261 YKYTXOHGTUAOIN-OAHLLOKOSA-N 275.480 4.927 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)CC1CC(CC)C1 2205810057 QEJZMWPXYJVLEO-NKELODKYSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@H](NC)c1cc2c(s1)CCOC2 2206883945 DNLQVAAALPYGBR-HNNXBMFYSA-N 293.476 4.608 30 10 CJEE C=CCCCCCCOc1ccc([C@H](C)NCC)cc1 2206895359 UAHYCDSVYSLGFM-INIZCTEOSA-N 275.436 4.872 30 10 CJEE C=CCCCCCC[C@H](N)c1cccc2ccncc12 2206899614 YPWRBQOCLICWOI-SFHVURJKSA-N 268.404 4.761 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1C[C@@H](OC(C)(C)C)C1 2206900008 PCOCCGGCMGJBBS-IXDOHACOSA-N 281.484 4.695 30 10 CJEE CCCC[C@@H](C)CC[C@H](C#Cc1ccccc1)NCC 2207127788 DMHYCUGHIBXBCM-IEBWSBKVSA-N 271.448 4.623 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(O)CCC=C1C 2207378922 WBSXZYVLNSBXQT-SFHVURJKSA-N 278.436 4.724 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)[C@H]1CCCS1 2207379393 YXVJPWPMXMSKEZ-SJORKVTESA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@]1(C(=O)O)CO[C@H](C)C1 2207401659 DFDDHXSPDCRIEQ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H](OC)C1 2207409538 MYCVFYNPRVJTFP-KURKYZTESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCO[C@@H]([C@H](C)N)C(F)(F)F 2207411818 DRFILHCWAWXYNC-KBPBESRZSA-N 295.389 4.588 30 10 CJEE C=CCCCCCCCCCNCc1csnc1OC 2207425818 UYQMDBDHMZPRAX-UHFFFAOYSA-N 296.480 4.548 30 10 CJEE C=CCCCCCCCCC[C@H]1COC(C)(C)C[C@H]1O 2207428499 AXQUCXRXHNLUGG-DLBZAZTESA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCC[C@H]1C[C@@H]1C)NC 2207450816 WAORFAWYTVBHEQ-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1sc(C)cc1C 2213636403 LPPCLIIBZHCHRV-RISCZKNCSA-N 251.439 4.618 30 10 CJEE CC1(C)C[C@@]1(Cl)C[C@]1(C#N)CCCCC1(C)C 2216106340 IMIFOHGSAXDZAV-LSDHHAIUSA-N 253.817 4.894 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)CSCC 2217315503 XBCAUCJYLDDJNQ-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE C=CCCCCCCCCOCc1nnc(Cl)s1 2218650831 KSSCLXAQENHDGD-UHFFFAOYSA-N 288.844 4.625 30 10 CJEE C=CCCCCCCC[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C 2220081573 HHOHZLZLGJZBLK-HZMVEIRTSA-N 252.442 4.946 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1CCCSC1 2220095124 YQZQEZHWXQVZBR-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cscc1Cl 2220097294 MBZURBRJKAPLKR-CQSZACIVSA-N 286.872 4.823 30 10 CJEE CCCCCCC[C@@H](CC1(F)CCC1)NCCC 2220675993 GOZUWCDGELMVAP-HNNXBMFYSA-N 257.437 4.997 30 10 CJEE CCCCCCCCCCCOCC(C)(C)CN 2223275639 KQFHBXNAKRMSMB-UHFFFAOYSA-N 257.462 4.519 30 10 CJEE N#CC1(C[C@H]2CC[C@H]2C(F)(F)F)C[C@@H]2CC[C@H](C1)S2 2224441545 KJVGBPUPNKVTLC-HENWMNBSSA-N 289.366 4.533 30 10 CJEE C=CCC[C@@H](CC1(C)CC2(CC(F)(F)C2)C1)NCC 2230593435 ZIXBKYKUIRZOHH-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1O 2230993848 HTQUQVGYLADVEE-BRWVUGGUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCCOC[C@H]1CN[C@@H](C)C1 2231075357 BKWGYEHPAMYGDT-DLBZAZTESA-N 269.473 4.532 30 10 CJEE O=C[C@@]1(CCCC(F)(F)C(F)(F)F)CCCC12CC2 2231772795 BPHLCSALYHAFSP-NSHDSACASA-N 284.268 4.504 30 10 CJEE CCCCCCCC[C@@]1(C)OCCC[C@H]1NCCC 2231925266 MATROJTWCAUJMP-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](CO)c1ccsc1 2231947183 WHBWILNLLHSCES-HOCLYGCPSA-N 283.481 4.510 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(Cl)c(C)nn1C 2232149833 DQGYJJLWXCPJBH-CYBMUJFWSA-N 285.863 4.522 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc2ccoc12 2232384215 OPKMVALVUCOEFM-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=C([C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2)C(F)(F)F 2233636971 SITDFDSMWMWYQG-YDHLFZDLSA-N 289.385 4.690 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CCCCCCC2CC2)C12CCC2 2234160960 OHEBJETWYMVIQM-IAGOWNOFSA-N 275.436 4.836 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)C(O)(CC)CC 2235526408 KMKVRFZMABYKGV-QGZVFWFLSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@H](O)c1cncc2c1CCC2 2235526842 OYHXVOSGPVMXLQ-SFHVURJKSA-N 273.420 4.520 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCN(C(C)C)CC1 2235531711 CBPMCFYLWSPONL-SFHVURJKSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)CC1CCCC1 2235532075 GUKAKGMNMADVSX-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CC12CC(F)(F)C2 2235771225 QHPDCLXQMCLHIV-OAHLLOKOSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCCO[C@@H]1C[C@@H](C)CN[C@H]1C 2235886676 QLOHSSISUPWDKG-FGTMMUONSA-N 281.484 4.696 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@H](C(C)(C)C)C2)cc1C#N 2238151919 UIXGUWHCVQWQEF-JKSUJKDBSA-N 270.420 4.884 30 10 CJEE C=C([C@@H](NCC)C1(C)CC2(CC(F)(F)C2)C1)C(C)(C)C 2238793421 CUOMZUMXHLLLLA-CYBMUJFWSA-N 285.422 4.782 30 10 CJEE C#Cc1cccc(CNCCCCCCCC2CC2)c1 2239423797 LUYPFNPLFTWKRH-UHFFFAOYSA-N 269.432 4.508 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](N)c1c(F)cccc1Cl 2239488724 BUWAVAGPFSVNDQ-WFASDCNBSA-N 299.817 4.630 30 10 CJEE CC[C@@H](C)NCc1ccc(SCCC(C)C)c(C#N)c1 2240013852 XXSDFLFTTONFMG-CQSZACIVSA-N 290.476 4.585 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(C2CCC2)cc1 2240369831 JSBHSGDBKWXDRX-IBGZPJMESA-N 270.416 4.961 30 10 CJEE C=CCCCCCCCCCN1CCOC[C@H]1C(C)C 2240393841 WCNWPTQYFHPJTM-SFHVURJKSA-N 281.484 4.650 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@](C)(O)CCCCCCCC 2240665839 HKWZWVZHURWDBW-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cccc2ccoc12 2241198272 WQNQXEHJZAUTKF-INIZCTEOSA-N 269.388 4.523 30 10 CJEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)[C@H](C)CC 2242059020 DIWFEPXFFMGCKF-IEBWSBKVSA-N 289.463 4.683 30 10 CJEE C=C(C)CNc1cc(Cl)c(Br)cc1Cl 2242447368 VSHSZDUVYCQECA-UHFFFAOYSA-N 295.007 4.744 30 10 CJEE C[C@H]1CC[C@@H](CSc2cc(Cl)ccc2C#N)C1 2248445938 TXHSGWZPPYAJQI-WDEREUQCSA-N 265.809 4.740 30 10 CJEE C=CCCSc1ccc(CNCCC)c(Cl)c1 2250029240 ADRYUKIJZZALNF-UHFFFAOYSA-N 269.841 4.508 30 10 CJEE C=C([C@H](NCC)c1csc(C2CC2)c1)C(C)(C)C 2256047670 QCIGDGFCEGKVCS-HNNXBMFYSA-N 263.450 4.878 30 10 CJEE C=CCCCS[C@@H]1CCCC(C)(C)[C@@H]1NCCC 2258976479 RKBRRDSDSAJUEW-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C(C)(C)C 2262544989 MBRLOFIEGQFAPD-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)[C@@H](C)C(=O)OCC 2263662107 RATIZAMBFRMJGM-HUUCEWRRSA-N 256.430 4.962 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(OC)c1Cl 2268080574 AFCVCXQBPLVXSE-AWEZNQCLSA-N 281.827 4.746 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CCCc1cccs1 2268760231 CELTZJHBKSZUKR-UHFFFAOYSA-N 274.429 4.636 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C(C)(C)C1CCCC1 2268770132 USKIRDFKVXLTAL-MRXNPFEDSA-N 261.453 4.526 30 10 CJEE C=CCCCSc1cccc(F)c1CNC1CCC1 2271579671 AVFJDNKOKYFVQA-UHFFFAOYSA-N 279.424 4.526 30 10 CJEE N#CC1(CSCC2CC(C(F)(F)F)C2)CCCCC1 2271717369 PVBWYPLJCDAQOQ-UHFFFAOYSA-N 291.382 4.782 30 10 CJEE C=C(C)CCCCc1ccc(N2CCCCC2)cc1 2271786347 WDZUGYQFFNKVDG-UHFFFAOYSA-N 257.421 4.966 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1(C)CCCCCC1 2274132491 SGDAQFZUSAVZJB-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CN(CCCCCS)Cc1cccc(C(C)(C)C)c1 2274446173 MCJZCLVQEYSZDP-UHFFFAOYSA-N 279.493 4.516 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)CC)OCC(=O)O 2275409829 XOSDDATYPCGBKS-HUUCEWRRSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1CCC1(C)C 2276306878 YMTMPRFSPWHECY-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](CC1CC(C)(C)C1)OCCN 2276708964 XMWXFYRFCBNOER-MRXNPFEDSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC(C)C)OCCN 2276777609 DAMRWCSHOLKFBU-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@H](OCCCN)C(C)(C)C(C)C 2277214880 ABUKXUXEQMGZPD-INIZCTEOSA-N 271.489 4.763 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C(C)(F)F 2277359638 VTXZLSJTTGWGJR-CQSZACIVSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@](C)(O)Cc1cccnc1 2278169491 QKSNNWYZWJJLTO-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CCC(C)C 2278177872 XRHXWDVMOSVVHC-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CCCCC 2278245492 VXUBFKCLMPVKDB-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE CCCCCCC[C@@H](NN)[C@H]1CC[C@H](C(F)(F)F)CC1 2279739498 JPBXNTYYIKNDMO-MGPQQGTHSA-N 294.405 4.548 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCNC[C@H]1C(C)C 2282791665 INXOETNLOOGATQ-ZWKOTPCHSA-N 283.500 4.514 30 10 CJEE CO[C@H](CS[C@H](CC#N)c1ccccc1)C1CCCC1 2283994021 PIXVKYBONXGNSI-IAGOWNOFSA-N 289.444 4.580 30 10 CJEE CN[C@H](c1ccccc1)[C@@H](C)CC=CC#CC(C)(C)C 2284085915 KMCJREWUDBQAHL-WMZOPIPTSA-N 269.432 4.579 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1csc2ccccc12 2284179852 RMVDIJNXCONDHW-INIZCTEOSA-N 284.424 4.931 30 10 CJEE CC[C@H]1CCC[C@H](CNCC=CC#CC(C)(C)C)CC1 2284182795 ITPAIACTNGXMRG-ROUUACIJSA-N 275.480 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C[C@@H](C(F)F)C(C)(C)C 2284183063 MMAXJQZNJIFYLH-KBPBESRZSA-N 286.406 4.661 30 10 CJEE CN(CC=CC#CC(C)(C)C)CCCCCCC1CC1 2284184502 GHYFVLPLWMWVDD-UHFFFAOYSA-N 275.480 4.884 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC1(C)C 2284184505 GJNUTPXQMRCGPD-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1c(C)cc(OC)cc1C 2285116137 ZIOCWTTYSXFPOZ-CXAGYDPISA-N 275.436 4.565 30 10 CJEE C#C[C@H](c1ccccc1C(C)(C)C)N1CCCCCC1 2285979147 AYNQMNTXKPCRFR-GOSISDBHSA-N 269.432 4.534 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)COC(C)(C)C1 2287374318 DSKQZKJHDBVXGW-SFHVURJKSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCCN(CC)[C@@H](c1cccnc1)C(C)C 2287378219 KJMSFEQUWKJBFN-GOSISDBHSA-N 274.452 4.847 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CCCC2(CC2)C1 2289697498 HXJMXYPZYUXFNN-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1CC[C@@H](CC)C1 2289903570 CTCRJYGJICASOU-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE C=CCCCC[C@@](C)(CCC=C(C)C)OCCC(=O)O 2291468423 WMWKKZXVUOUTOV-KRWDZBQOSA-N 282.424 4.729 30 10 CJEE C=CCCCCCCC[C@@](C)(OCC(=O)O)[C@@H](C)CC 2292589951 UIHLJSNEJGHQFN-DOTOQJQBSA-N 284.440 4.809 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCSCC1 2292777339 UYAVPLUSAMCGBP-KRWDZBQOSA-N 299.524 4.534 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1CCC[C@@H]1C 2292779999 TYMPJNOUNVMGFN-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)c1sccc1C 2292809371 MMGNCUFTJIGGEP-KRWDZBQOSA-N 295.492 4.774 30 10 CJEE CCCCCCCC[C@](C)(Cc1ccsc1)OCCN 2293406293 YKMGOYSDACTBII-QGZVFWFLSA-N 297.508 4.775 30 10 CJEE CCCCCCCCC[C@H](CC1CC(F)C1)OCCN 2294118438 ZLEQCHQGAWZWEP-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=CCC[C@@H](C)[C@H](CCC1CCCCC1)OCCCN 2294220910 HSHANXQMVQGLOJ-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cc(CC)ccn1 2295588447 OVMKNOMJCCTEBD-SFHVURJKSA-N 277.452 4.992 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1scnc1C 2295597215 SDRKJNVPRPLJOU-INIZCTEOSA-N 297.464 4.526 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)CC(C)(C)C 2295677123 RNSZZRRXUCSKBL-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](OC)C(F)(F)F 2295679353 ONRXBMYSFOUZEZ-ZIAGYGMSSA-N 297.405 4.683 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCN(C)[C@@H](C)C1 2295691108 IQGLSLHPOLOOKQ-BZSNNMDCSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(C)CCOCC1 2295691512 MSOICFHHXAPHHC-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE Cc1c(OC(C)C)ccc(C(=O)C=Cc2ccco2)c1C 2295967895 IAHIJFFPIJYADD-UHFFFAOYSA-N 284.355 4.580 30 10 CJEE C=CCC(CC=C)Sc1c(C=O)sc(C)c1C 2298890601 IRMBSBHDJWKSJP-UHFFFAOYSA-N 266.431 4.790 30 10 CJEE CCC(CC)CCOc1ccc(Br)cc1C#N 2300675325 DFOANCCWONVNJC-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(Cl)c(Cl)c1C 2301011164 UDZMDMOFSYSYTH-GFCCVEGCSA-N 272.219 4.746 30 10 CJEE C=CCCCCCCC1(O)C[C@@H](C)S[C@H](C)C1 2301734585 IPQFWEPMCHVGDP-ZIAGYGMSSA-N 256.455 4.548 30 10 CJEE CC(C)C[C@@H](CS)COC1CCCCCCC1 2308050647 GXUAPFHTWXCPSD-CQSZACIVSA-N 258.471 4.708 30 10 CJEE C=CCCSc1cc(Cl)c(F)cc1CNCCC 2315596614 UREMXYNRMHIBBT-UHFFFAOYSA-N 287.831 4.647 30 10 CJEE C=CCCCCCCCN1CC[C@@H](SC(F)F)C1 2317806025 WBVYXXVCPKOITN-CYBMUJFWSA-N 277.424 4.543 30 10 CJEE C=C[C@@H](C)C[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2319568223 SKJVYTDZRRWLAA-PELKAZGASA-N 278.701 4.604 30 10 CJEE CC1CC(CS)(COCC2CCCCCCC2)C1 2319942957 AFOJBPFIWGMUFL-UHFFFAOYSA-N 270.482 4.710 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(Cl)cc1Cl 2321095525 JRNCMECNGVMRHO-HUUCEWRRSA-N 286.246 4.856 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1C[C@H]1CC)NCCC 2321097212 ZMEROVZQSFNOHE-LTIDMASMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CC[C@H](C)[C@H](C)C1 2321107221 DZAAEZYOWDHXDY-UTSKFRMZSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc2sccc12 2321115197 DPQIUHGFYVIFAM-HNNXBMFYSA-N 259.418 4.764 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC1CC2(C1)CC(C)(C)C2 2321232448 LCESSQASECXNPZ-AWEZNQCLSA-N 250.426 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)c(C)cc1F 2321235859 ZMBBQYWEYNZVLR-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@@H]2C[C@H]1C[C@@H]2N 2329578811 HYCDONASJRMUME-LUKYLMHMSA-N 269.448 4.983 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330168192 BSWOBOYGIYQZGG-YJNKXOJESA-N 273.411 4.746 30 10 CJEE CC(=NOCc1ccc(Cl)cc1F)c1ccc(C)cc1 2330450730 UZSJZHRPEISYRC-UHFFFAOYSA-N 291.753 4.728 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H]2C[C@H]2C2CCCCC2)CC1 2332683655 AYSVTXLYAGQFQU-RCCFBDPRSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)Oc1cccc(Cl)c1[C@@H](C)NC 2335108269 BLMNFCCTFOCJOM-GFCCVEGCSA-N 279.811 4.520 30 10 CJEE CC1CCC(CSC[C@@H](C#N)c2ccccc2)CC1 2335355786 KDUGIJDHBDYJAV-VMBOVVBDSA-N 273.445 4.853 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(Cl)c(F)c1 2337111138 ITOTWQBJCAYFSF-HSMVNMDESA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@H]1CC[C@H](CCC)CC1 2337154756 GLHMMZDLYAHQSZ-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1cc(C(F)(F)F)cs1 2337166249 ITQUSQDZIHCAOF-ZWNOBZJWSA-N 289.366 4.601 30 10 CJEE CC(=CCOCC1(CS)CC(F)C1)CCCC(C)C 2338496452 VRUNIBHBKDSUDE-UHFFFAOYSA-N 288.472 4.824 30 10 CJEE CCC[C@@H](CS)COCC(C)(C)Cc1ccccc1 2338824454 AZHMKZCJMOQUQV-MRXNPFEDSA-N 280.477 4.618 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCC 2339085198 CFFXQQOBSLDDQW-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339569647 RRAACNBWWOVVCA-SWLSCSKDSA-N 296.241 4.694 30 10 CJEE C=CC1(C[C@H](N)CCc2cc(Cl)cc(Cl)c2)CCC1 2341120666 CKFZWDBGCLWRFD-OAHLLOKOSA-N 298.257 5.000 30 10 CJEE C#CC[C@H](C)CN(C)CCCc1cc(Cl)cc(Cl)c1 2341128108 SJGKDBFFHFPQGF-ZDUSSCGKSA-N 298.257 4.517 30 10 CJEE C=C1C[C@H]2CC(NCCCC[C@H]3C[C@@H]3C)C[C@@H](C1)C2 2341524426 ZGEOVMHGUTVFHA-KYLYMASSSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NN 2343282731 GESXSGGBOBEVRG-BZUAXINKSA-N 268.489 4.641 30 10 CJEE CC1=C(C)C[C@@H](COc2cccc(Cl)c2C#N)CC1 2343304797 KVNVABVGDYTFOS-ZDUSSCGKSA-N 275.779 4.727 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(CC(C)C)c1 2344338453 ZLFFJMJRXYZAQX-MSOLQXFVSA-N 259.437 4.877 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CCC=Cc1ccccc1 2344341789 FCJVTVWYGMCCPY-ZWKOTPCHSA-N 257.421 4.800 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1CSC 2344347155 ZLGWMFKPXQXCHC-PBHICJAKSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(F)ccc(CC)c1F 2344420151 KKVCFFGGYZVLRU-INIZCTEOSA-N 266.331 4.702 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)ccc1C(C)C 2352931218 WPJXTJYOLYVQRG-YJBOKZPZSA-N 259.437 4.981 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC1=CCCOC1 2353545883 ZGMVWAUSBYOQBV-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CC(C)C[C@H](CS)CN1CCCC[C@H]1C1CCCC1 2353837461 GHZLLRVLDHXVNK-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE CCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 36805568 OFHQKSJTKURZGC-UHFFFAOYSA-N 296.336 4.736 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](c1ccccc1)C(C)C 37305247 HWYVWYFZXCZZJW-SFHVURJKSA-N 282.362 4.815 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 37935834 CGOWETABMJFREM-CQSZACIVSA-N 294.251 4.521 30 10 CJEE COc1ccc(C(C)C)cc1C[C@@H](C#N)c1ccccc1F 57761216 OMHRWXKPDCYEBZ-INIZCTEOSA-N 297.373 4.808 30 10 CJEE Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccccc1 58776438 CDURYWKGDOEJGE-ZHACJKMWSA-N 285.412 4.645 30 10 CJEE CCOc1ccc(-c2cc(C#N)c(C(C)C)o2)c(OCC)c1 77079550 ALRNMSPIFLGKPR-UHFFFAOYSA-N 299.370 4.739 30 10 CJEE C[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 85017949 OYVAGOVETOHFQT-MJVIPROJSA-N 297.320 4.781 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CSc3ccccc32)C1=O 94320394 JAOYXSJQIFWCCC-SCLBCKFNSA-N 299.439 4.555 30 10 CJEE CCC[C@@H](CS)COc1ccc(Cl)c2cccnc12 94583143 QZZWJBLCIRMAND-LLVKDONJSA-N 295.835 4.613 30 10 CJEE CCOc1c(CCCC#N)cc(C)cc1C(C)(C)C 107672784 UFWNHKCOKSEUHZ-UHFFFAOYSA-N 259.393 4.538 30 10 CJEE CCCCCCCO[C@H](c1ccc(C)cc1)[C@H](N)CC 109987440 XBBMEBAYKIMCID-QZTJIDSGSA-N 277.452 4.760 30 10 CJEE CCCCCCCOc1ncc(CNCCC)cc1Cl 110156948 RDRURCUYMZUEFB-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(c1)CCCO2 110220527 ZKTCVYDTZUFWBN-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCCOc1nc(Cl)nc2ccccc12 110238096 QFWWHYGJNSDZFU-UHFFFAOYSA-N 278.783 4.632 30 10 CJEE Cc1ccc(Oc2ccc(C#N)cc2Cl)cc1C 110260923 HIZBTLOKMPTBOF-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE Cc1cc(Oc2ccc(C#N)c(Cl)c2)ccc1Cl 110261463 GXNSAZNRVQDFJF-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NCC1(C)C 115241416 ZMGRWHISIUPNON-GOSISDBHSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(CC)N1CCCCC1 118163957 JUWCEEYKLNVCES-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCNC1=NC[C@H](C2CC2)S1 124891270 YRLILMQNKIYTPV-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE Cc1cc(Nc2ccc(F)c(C(F)(F)F)c2)ccc1C#N 126873849 LWJGHZLWKACGMT-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCCCNc1nc2c(N)cccc2o1 129217994 SZQAELVJMKXFQY-UHFFFAOYSA-N 289.423 4.963 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(OCC)CCCC1 130992382 ATRPXTPMDAXOCT-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H]1CCCCO1 134439754 ONQLAHQZPPUEJN-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cccc(SC)c1C#N 136700980 UIEDNTSDPUKUEN-OCCSQVGLSA-N 275.417 4.628 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cccnc1OC 140466150 WSFZMBMVMZJQKF-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE CCCCCCCC(=O)c1cccc(OC(F)F)c1 164710026 LLVMYUODARGZGN-UHFFFAOYSA-N 270.319 4.831 30 10 CJEE CCCCCCCCCOc1cc(F)cc(C(=O)O)c1 223433708 BHIIZZRNIRMSOZ-UHFFFAOYSA-N 282.355 4.653 30 10 CJEE Fc1ccc(OCCCCCCS)cc1C(F)(F)F 226464835 FDSFYZBHEGHUOB-UHFFFAOYSA-N 296.329 4.714 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@H]2CC[C@H]1O2 250827118 OGQQUXOTYZBCIO-BRSBDYLESA-N 281.484 4.673 30 10 CJEE Sc1ccsc1C=Nc1ccc2ccccc2c1 254393468 XFRXZZRQRYLXCQ-UHFFFAOYSA-N 269.394 4.941 30 10 CJEE C[C@](C#N)(Cc1cccs1)c1ccc2c(c1)CCCC2 259527451 LKGHDDOEEKXYFH-GOSISDBHSA-N 281.424 4.651 30 10 CJEE CC(C)(C#N)c1cc2c(C(F)(F)F)cccc2s1 259916702 CUJDJMAYGYQYFU-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE C[C@H](C#N)c1ccc(C(C(F)(F)F)C(F)(F)F)cc1 260150403 FBLYYFUWUNIQIC-SSDOTTSWSA-N 281.199 4.522 30 10 CJEE C[C@@H](CC#N)c1cc2ccc(Br)cc2s1 260198573 YPFLAIQATJUBEC-QMMMGPOBSA-N 280.190 4.681 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC(F)(F)C1)NC 306038232 SVKRZWGEKSYXJV-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cncc(Cl)c1 307948642 BZBGKKPASQZAGZ-INIZCTEOSA-N 297.874 4.770 30 10 CJEE C=CCCCCN[C@H](C)c1cc(Br)cs1 309033940 DQUAGVWTSHZWPE-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE C[C@H]1CCN(C[C@H](CS)C(C)(C)C)c2ccccc21 311331485 DDJCWFJZMQGJCX-UONOGXRCSA-N 277.477 4.592 30 10 CJEE C#Cc1cccc(N[C@H]2CCCCC23CCCC3)c1 311700929 MALALKRLGYCADD-KRWDZBQOSA-N 253.389 4.583 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 311722191 UWCFNAJNVLJYCJ-RISCZKNCSA-N 267.294 4.578 30 10 CJEE C[C@@]1(c2ccc3ccccc3c2)CC[C@](C)(CC#N)O1 312319698 GDUBCTHELHQZAP-MSOLQXFVSA-N 265.356 4.538 30 10 CJEE N#C[C@]1(C[C@@H]2CCC(F)(F)C2)CCCc2ccccc21 379437914 YWFMNJSWNLGKPH-XJKSGUPXSA-N 275.342 4.610 30 10 CJEE CCCNC[C@@H]1CC[C@H](CC)C[C@@H]1CC#CC(C)(C)C 383588085 JZBUAAUPPBGWOO-BZSNNMDCSA-N 277.496 4.868 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(C(F)(F)F)cc1 384886971 SHZNVSGCHPRSLX-RISCZKNCSA-N 267.294 4.578 30 10 CJEE C=C(COCC)[C@H](O)CCCCCCCCCCC 387541724 GHAMFPSOYAAEGP-QGZVFWFLSA-N 270.457 4.861 30 10 CJEE CCCCCCCCCC(=O)c1cccc(N)c1F 388782614 QQHQZPZHHSWUAB-UHFFFAOYSA-N 265.372 4.731 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)c(F)cc(F)c1F 395798631 YVLXMXXAOOWUAT-LBPRGKRZSA-N 291.332 4.864 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H](C)CC(F)(F)F)C1 402666675 YQFUYEJBDMLVTK-XQQFMLRXSA-N 264.331 4.751 30 10 CJEE CCCCCCCCCCC1(O)CCSCC1 403670455 DQPKFTZFLLUPRK-UHFFFAOYSA-N 258.471 4.775 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)OCc1ccccc1 404378732 MGLIVZHCBTZRFP-MJGOQNOKSA-N 291.479 4.930 30 10 CJEE N#CCc1cc(Cl)ncc1-c1ccc(Cl)c(Cl)c1 514262756 FVPTYMIPAGZPHJ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE Cc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 575380476 NGPUAYBTVHOUTO-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NC 686690890 CRSPHLAZGHSMJD-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCCC[C@H]2C(C)C)c1 691091442 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1207695796 BPFIJJKPUNJOIG-MRXNPFEDSA-N 297.446 4.993 30 10 CJEE COc1ccc(C2=CC(=O)CC(C)(C)C2)cc1C(C)C 1242318153 RPOHEBOWBQCEGJ-UHFFFAOYSA-N 272.388 4.591 30 10 CJEE C=CCC[C@@H](C)N(C)[C@@H](C)c1ccccc1Cl 1258733714 MGCCDMRZTUPXKZ-OLZOCXBDSA-N 251.801 4.688 30 10 CJEE C=C(CC)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 1307586087 NAMRWBSCFCBGCM-NRFANRHFSA-N 291.438 4.795 30 10 CJEE C=CCCC[C@@H](N[C@@H]1CCCSCC1)c1ccccc1 1308919140 VBYQAZIXZSGVKP-QZTJIDSGSA-N 289.488 4.959 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 1436654793 FJZBNRQJLWLLPU-RBUKOAKNSA-N 297.442 4.550 30 10 CJEE C=CC(C)(C)C(=O)O[C@@H]1CCc2c(Cl)cc(Cl)cc21 1458468680 DCJPYLOYHVJOJN-CYBMUJFWSA-N 299.197 4.736 30 10 CJEE C=CCOc1cccc(CN[C@@H](CCC)C(C)(C)C)c1 1461518029 BTYFQMDYXYADRU-KRWDZBQOSA-N 275.436 4.556 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cc(C)cs1 1462249450 LKMRGWWHOQNEBO-CQSZACIVSA-N 251.439 4.671 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 1462564342 HZWNVACOCYLMIX-CVEARBPZSA-N 287.447 4.523 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C)c(F)c2)CCCCC1 1465123020 GLXWNSLLQRCAMK-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=CCCCCSc1nc2ccccc2n1CC 1472906641 QZPZKVDSARTZDB-UHFFFAOYSA-N 260.406 4.505 30 10 CJEE C=CCCCOc1cc(F)c(Br)cc1Cl 1473021694 NBSVXUSSYZISIA-UHFFFAOYSA-N 293.563 4.587 30 10 CJEE C#C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1F 1474518517 ZZFNNXGPEHTCKZ-CJNGLKHVSA-N 293.813 4.712 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)C1CCC(F)CC1 1474646358 RZBTUNJFHRFAHM-LMPOIIKSSA-N 255.421 4.628 30 10 CJEE CC[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)CC1 1474707352 UDMTWQBFWBGJHH-DAYGRLMNSA-N 270.420 4.568 30 10 CJEE C=CC(C)(C)C(=O)N[C@H](C)c1sc2ccccc2c1C 1521757274 WWBKIJHTXMEDLH-GFCCVEGCSA-N 287.428 4.599 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](C)C1CCCCCC1)c1ccccc1 1536730097 KEMQGKYEEOUZAM-QFBILLFUSA-N 299.458 4.821 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1c2cc(C)ccc2C[C@H]1C 1560930756 MTTWPIYMYIRYID-SUMDDJOVSA-N 271.448 4.953 30 10 CJEE CCCCOc1ccc(C#Cc2c(C)cccc2C)cc1 1614826023 SRGFWFRVOLBFSA-UHFFFAOYSA-N 278.395 4.882 30 10 CJEE C=CCCCCCN1CCC(c2ccccc2F)CC1 1615569083 JFHMNYXOFGODJO-UHFFFAOYSA-N 275.411 4.752 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1C 1617466604 SGIOALCDFYVUAI-XJKSGUPXSA-N 291.822 4.513 30 10 CJEE C=CCC1(CN[C@@H]2CCCC[C@@H]2C2CC2)CCCC1 1621333389 LCTZYGDVSJBZQO-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1NCCC 1636256515 KEJVEHZIYDEJRX-LBPRGKRZSA-N 294.826 4.703 30 10 CJEE C=CCn1c(SCCC(C)(C)C)nc2ccccc21 1640609650 GPQMCIHOZQRLRI-UHFFFAOYSA-N 274.433 4.751 30 10 CJEE C=CC(C)(C)CCNCc1ccccc1OCCCC 1651366217 VBDUBKLEGDNJRY-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@@H](C2CCOCC2)C1 1651413001 JOBMFHDSLYNTSW-QZTJIDSGSA-N 293.495 4.554 30 10 CJEE C#Cc1ccc(NC/C(C)=C\c2ccc(Cl)cc2)cc1 1651655386 FUKXVPKGEBCHGO-OWBHPGMISA-N 281.786 4.837 30 10 CJEE C=CCC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1652656378 CMQQLLSLFVXVKV-RNIPGJKVSA-N 271.448 4.903 30 10 CJEE C#CC[C@@H](NC[C@@H](CC)CCCC)c1ccccc1 1653095556 AXZUGLBXCSRDOJ-FUHWJXTLSA-N 257.421 4.557 30 10 CJEE C=C(C)[C@H](NCC[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 1653343559 WXNBZKRJDTVODX-XUWXXGDYSA-N 291.385 4.608 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(F)c([C@H](C)O)c1 1658054572 KPOOKWWATLHYPM-KBPBESRZSA-N 279.399 4.816 30 10 CJEE C=CCCCN[C@@H](C)CCc1cccc(C(F)(F)F)c1 1659661732 ADFOQGSXFVLOSQ-ZDUSSCGKSA-N 285.353 4.582 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@H]2CCC(C)=C(C)C2)CC1 1659980652 IMLGADPHVDVWNS-WMZOPIPTSA-N 261.453 4.847 30 10 CJEE C=C1CCC(CNCc2ccc(Oc3ccccc3)o2)CC1 1663223718 JWGIRTPOIFJLFL-UHFFFAOYSA-N 297.398 4.908 30 10 CJEE C=C(C)c1cccc(NCc2ccc(N(C)C)cc2C)c1 1665853698 QGPSKZIOJWWLSP-UHFFFAOYSA-N 280.415 4.706 30 10 CJEE C=CCN(C(=O)CCC1CCCCC1)[C@H]1CCCC[C@@H]1C 1860026765 ODQHKXKUXBOAFR-WMZOPIPTSA-N 291.479 4.940 30 10 CJEE C=CCCCCCCCCNOCc1ccccc1 1881659406 WVFNOIDNMZDNRC-UHFFFAOYSA-N 261.409 4.625 30 10 CJEE CCCCCCCCCN1CCCc2ccncc21 1883427322 OHIKAFQOBUJRSB-UHFFFAOYSA-N 260.425 4.585 30 10 CJEE CCCCCCCCCCCCn1cc(OC)cn1 1884311647 VYNJTIAUVSWEAC-UHFFFAOYSA-N 266.429 4.813 30 10 CJEE C[C@H](C=O)CCCCc1cc(Cl)cc(Cl)c1 1901987462 WJMXGSHRRBRPRD-JTQLQIEISA-N 259.176 4.541 30 10 CJEE CCCCCCCCCC(C)=CCCNCCOC 1911975497 QUXMXCZJOXYCOS-UHFFFAOYSA-N 269.473 4.700 30 10 CJEE C[C@H]1CCCC[C@]1(C)N=C1NC2(CCCCC2)CCS1 1912023929 XWRMPITZRWOXIQ-HOCLYGCPSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)Oc1cccc(Cl)c1[C@H](C)NCCC 1913333150 FEFYEFPWMMUZJS-OLZOCXBDSA-N 281.827 4.744 30 10 CJEE C[C@@H](c1cccs1)N(Cc1ccccc1)[C@H](C)CC#N 1915378434 NPOBODBBEJIXFN-CABCVRRESA-N 284.428 4.613 30 10 CJEE CN([C@@H]1CCC2(CCCC2)C1)[C@@H]1CCCCC[C@H]1C#N 1916491128 QWBLSIWEPVVRPS-GVDBMIGSSA-N 274.452 4.504 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(O)c1cc(Cl)ccc1Cl 1919583674 QZNJBGBURRQPGX-CQSZACIVSA-N 273.203 4.803 30 10 CJEE C=CCCC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 1919671479 GRVDXVZYZDFQQZ-CQSZACIVSA-N 276.763 4.990 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(Br)o1 1919967203 OKFIGGDPVSBHBX-ZDUSSCGKSA-N 289.213 4.610 30 10 CJEE O[C@@H](CC#CC1CCCCC1)c1c(F)ccc(Cl)c1F 1925529066 XGIVCGQXRISKKT-AWEZNQCLSA-N 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ORLQZNDNIPOHCF-ROUUACIJSA-N 281.484 4.534 30 10 CJEE C#C[C@H](N[C@@H]1C[C@H]2CCCC[C@]2(C)C1)C1CCCCC1 2203798172 KHHRMJFGBYOWRD-AKHDSKFASA-N 273.464 4.517 30 10 CJEE CCCCC#CC[C@@H](N)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 2203818368 FLIDHDANXDVUHC-UPMGZUDPSA-N 273.464 4.504 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H](O)c1ccsc1C 2206886571 RVIOPGGOANLWFO-SJORKVTESA-N 295.492 4.595 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CCC2(CCCC2)C1 2206892164 OXJQPNUOWGKEGG-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)[C@@H](N)CCC2 2206894920 OVQSYPJLQPUNPP-SFHVURJKSA-N 273.420 4.538 30 10 CJEE C=CCCCCCC[C@H](NC)[C@](O)(CC)CCC(C)C 2206897563 NIQZMYCJUAVQTH-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@]1(C#N)OCCc2ccccc21 2206900439 TVRPIEWPLJKBJS-GOSISDBHSA-N 269.388 4.505 30 10 CJEE C=CCCCCCC[C@@](C)(O)Cc1ccccc1OC 2206901393 BPLIJBZYDDOKFW-GOSISDBHSA-N 276.420 4.515 30 10 CJEE CCCC[C@H](C)CC[C@H](C#Cc1ccccc1)NCC 2207127790 DMHYCUGHIBXBCM-PKOBYXMFSA-N 271.448 4.623 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1COC[C@H]1CCC 2207371698 ARUPJSBNIQBCFF-MSOLQXFVSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCN(C)C[C@H]1CO[C@@H](C)C1 2207381087 FYQJRHWDYNXREN-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(C)CC[C@@H](N)C1 2207390880 JWJZNQGSLUTKKG-AEFFLSMTSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@@]1(CN)C[C@H]2CC[C@H]1O2 2207402177 AAUKPRFWTOMWAX-KURKYZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCO[C@@H]1[C@H](N)CC12CCC2 2207425671 SYLUPKNVIHODRU-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CCOC(C)(C)C1 2207435662 KBFSNBSGDYDYKF-SJORKVTESA-N 282.468 4.859 30 10 CJEE CCCCCCCCc1nc2n(c1N)[C@H](C)C[C@@H](C)C2 2207471712 YTDIMNAZINKGHM-ZIAGYGMSSA-N 277.456 4.512 30 10 CJEE CCCC#C[C@@H](NCCC)c1scc(Cl)c1Cl 2213348881 PRFARYKJSMDWGG-LLVKDONJSA-N 290.259 4.899 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)ncc1C 2216941135 NCFMDJKPGHCAIS-LBPRGKRZSA-N 253.773 4.557 30 10 CJEE C=CC[C@@H](CNCCC)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2225340913 RKPDWAGLRJAGCM-XMTFNYHQSA-N 263.469 4.785 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](C)[C@H]1CCCCO1 2227288158 SNIIMRHHZROUIU-NVXWUHKLSA-N 266.425 4.677 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1(C)CC2(CCC2)C1 2228292909 BWMQBUNRMHNING-CVEARBPZSA-N 261.453 4.681 30 10 CJEE C=C(C)CN(C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CC1 2230670817 CBBUFCHNDYQMLP-IKGGRYGDSA-N 261.453 4.633 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@H]1NCCC 2230994744 LMGMPDRRDLOIRY-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](C)(CCO)C(N)(CC)CC 2231906321 KASFGDFYWVEXOF-MRXNPFEDSA-N 271.489 4.643 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233644375 FVPGJWLSGOXQGS-VSZNYVQBSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)c1scc(C)c1C 2234234529 BYVWMWGKFJWYNB-HOTGVXAUSA-N 297.508 4.866 30 10 CJEE CC(C)N[C@](C)(C#N)C[C@@H](C)SCCCCCC1CC1 2235464290 KMGSYQLVEJWFJK-WBVHZDCISA-N 296.524 4.749 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccc(C)nc1C 2235523081 AZGPLGONERXUPI-SFHVURJKSA-N 274.452 4.876 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2236723504 GVKTWNJAJYCGTP-VSZNYVQBSA-N 295.536 4.880 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc2c1CCO2 2238078248 BBEHPUPMDRFLDK-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCCOc1cc(F)cc(F)c1C=O 2239445040 FABJFCSBWADVCG-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE CC(C)=C1CC[C@@H](C)C[C@@]1(N)C#Cc1cccc(Cl)c1 2239474921 ZYMCHHRRSMLVKJ-KDOFPFPSSA-N 287.834 4.545 30 10 CJEE O[C@]1(C#Cc2cccc(Cl)c2)CCCCC12CCCC2 2239487043 MFOXIWXNQUBMRI-SFHVURJKSA-N 288.818 4.557 30 10 CJEE CCC[C@@H]1CCC[C@](O)(C#Cc2ccc(Cl)cc2)CC1 2239487901 VBKATFJDPCKQDC-CRAIPNDOSA-N 290.834 4.803 30 10 CJEE CCCCCCCCCCOc1ccncc1[C@H](C)O 2239488202 XYKMATJTGOZROC-HNNXBMFYSA-N 279.424 4.654 30 10 CJEE CCCC[C@H](CC)[C@@H](N)C#Cc1ccc(CCC)cc1 2239734601 KFFGIQUCASNSOM-OALUTQOASA-N 271.448 4.534 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]1(O)CCC(C)(C)C1 2240665688 FZRKLLQZVIAKNP-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CC1CC(C)(C)C1 2240666005 IYNZXJFYJRJDGV-AEFFLSMTSA-N 283.500 4.642 30 10 CJEE CC1CC(CS)(CSC[C@@H]2CC[C@@H](C)C2)C1 2243697024 GNLBQVRAHKJDKA-NELGMTEASA-N 258.496 4.502 30 10 CJEE C=CC1(CC#Cc2ccc(Br)cc2)CCC1 2246253393 HGOISIOABHPMLI-UHFFFAOYSA-N 275.189 4.547 30 10 CJEE C#CC(C)(C)Cn1ccc2cc(Cl)c(Cl)cc21 2248215285 NDCKDKVDZXPGRG-UHFFFAOYSA-N 266.171 4.608 30 10 CJEE CC(C)(C)C#CC=CCc1cc(Cl)ccc1F 2248455388 DUYRYUVRFLAKKM-UHFFFAOYSA-N 250.744 4.627 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(Cl)ccc1C 2250148995 CSFRMKKBOJNMHL-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE CCC[C@H](CC)[C@@H](C#N)Nc1cccc(Br)c1 2250366851 NEPBCCMEMYNSJQ-SMDDNHRTSA-N 295.224 4.579 30 10 CJEE COc1cc(Cl)c(Cl)cc1C1=CCCCCC1=O 2253411117 GBJYWXLPMKAZAR-UHFFFAOYSA-N 285.170 4.529 30 10 CJEE N#C[C@@]1(CC[C@H]2CCCC23CC3)CCC(F)(F)C1 2255231974 GNFVZJLXDHDUIH-OLZOCXBDSA-N 253.336 4.676 30 10 CJEE C=CCCCCCC(=O)c1c(F)cc(C)cc1F 2256301103 JYMUCQQNABLULM-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccccc1OC(F)F 2267776548 QTLZUFPZSSTFOF-HNNXBMFYSA-N 267.319 4.551 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1csc(C2CC2)c1 2267901732 WLCPGGYIEFJSIC-GOEBONIOSA-N 275.461 4.850 30 10 CJEE C=CCCCCCCC[C@H](O)c1c(C)cccc1N 2268228885 YOBJHCMIJMGPRM-INIZCTEOSA-N 261.409 4.527 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCC2(CC2)C1 2268760145 AXZSFAOEKNJUNC-OAHLLOKOSA-N 258.405 4.522 30 10 CJEE CC(C)C1CCC(O)(CC=CC#CC(C)(C)C)CC1 2268785186 KDXFGTSBNJSCME-UHFFFAOYSA-N 262.437 4.560 30 10 CJEE N#C[C@@]1(CCCCCCCCCCO)CC=CCC1 2271228969 BMFRASARYFMQGQ-KRWDZBQOSA-N 263.425 4.740 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCCCC1(F)F 2271780890 KGSIJJCTBPSTMX-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(F)F 2271839039 MQPAXWXJDAFDSA-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CC1(C[C@H](NCC)[C@@]23CCCC[C@H]2CC3)CCC1 2273327467 MTDHAWPYEHZKEH-XYJFISCASA-N 261.453 4.681 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc2ccccc2s1 2274112773 NGRNRCPKBHSZFO-OAHLLOKOSA-N 270.397 4.518 30 10 CJEE O=C(CC#CC1CCCC1)c1ccsc1C(F)(F)F 2274180492 IJNKZKFVZNJAEF-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE C=C(Cl)C[C@](C)(CCCCCCCC)OCC(=O)O 2275318635 AHLFLMCQISDDSN-HNNXBMFYSA-N 290.831 4.740 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)C1(C)CC1 2276784446 JHACRZFKKXIUSD-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C(C)=C(C)C 2278178492 OPEZPINCZGHPSI-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE C#CC(C)(C)C[C@@H](C[C@@H]1CCCCC12CC2)NCCC 2279621324 NZEUXTIGZOHTGJ-DLBZAZTESA-N 275.480 4.765 30 10 CJEE CN(C[C@H]1CCC12CCC2)CC1(CS)CCCCCC1 2281018970 FGEFUOXQLJRVTM-MRXNPFEDSA-N 295.536 4.769 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C[C@]12C[C@@H]2N 2283286978 FOTMWQJUWNZGJU-SZMVWBNQSA-N 279.468 4.604 30 10 CJEE CC(C)C(C)(CN[C@H](CC#N)c1ccccc1)C(C)C 2283866432 LHXXSUBXGQEHOS-QGZVFWFLSA-N 272.436 4.549 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1ccccc1C1CC1 2284087239 BDSXZRSJANNKDF-UHFFFAOYSA-N 266.384 4.743 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)c1sccc1F 2284161966 YROCZEJYBCIFHX-OAHLLOKOSA-N 293.451 4.924 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@H]1CCCC(F)(F)CC1 2284179247 XVKRKEJCYWWPPX-CABCVRRESA-N 283.406 4.525 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1c(C)coc1C 2284179601 ZBMUENVFTGZISE-INIZCTEOSA-N 273.420 4.543 30 10 CJEE N#C[C@]1(CCCCCCCCCCO)CCC12CCC2 2286808788 GYWWRKHSRKEJHV-SFHVURJKSA-N 277.452 4.964 30 10 CJEE C=C(C)CCCC[C@H](NC)C1(OC)CCC(C)(C)CC1 2287466340 GWQNUQVXHUXXSA-INIZCTEOSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCOCC1(C)CC(NC)C1 2289615382 UNAIVDRUNFVGPS-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(C)ccc1Cl 2289694216 UKJKDMIEIICJPS-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1csc2ccccc12 2289789056 SVGIUIRGTMFMTK-QGZVFWFLSA-N 283.440 4.746 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C1CC(CC(C)(C)C)C1 2289967900 GMMTXAMFTGGTKL-ABHNRTSZSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](O)c1cnc(C)c(OC)c1 2290131869 DPLVPHNEWBMGLN-INIZCTEOSA-N 279.424 4.573 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)c1ccsc1C 2291903981 MCGLOZRQEVTWFV-INIZCTEOSA-N 298.448 4.733 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)C1=CCCC1 2292237900 YDCQGEVHGXNJCE-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1CCC 2292656390 UMFRRQGRDWMASH-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@](CC)(CCCC)OCCC(=O)O 2292730676 IMKHYOPFNXTRMM-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCCC[C@](C)(CC1CC1)OCCN 2292788488 XEDAMONKQNLXOS-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1CCC)OCCN 2292869190 XRGNGPYAESSERP-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)C1CCC1)OCCN 2292893006 AZSJQVTWFVPHSB-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@](CC)(CCC(F)(F)F)OCCN 2292900250 VIJQEIATAFKJGB-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCCCCC[C@@H](CCC1CCCCC1)OCCN 2292904411 XTJCNNMNNXGSRI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](CC1C[C@H]2C[C@@H]2C1)OCCCN 2293251609 MGGRVGFPLVOOJH-OKZBNKHCSA-N 281.484 4.517 30 10 CJEE C=CCCCCC1(OCCCN)CC(CC(C)(C)C)C1 2293299158 XXNNKUYWGKVHTM-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)C1CC2(CCC2)C1 2293686679 ZLPKCKZWWRSBCF-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCCCC1(C)C 2293846431 QXVMKQZYOIMJBD-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)C=CCC[C@@H]1C 2294567557 HOPDLYRSFNQXES-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCCC[C@H](N)C1 2295538707 MVXOIRRXWRBSCQ-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnccc1CC 2295593138 ZAKCAFWAHIULBV-SFHVURJKSA-N 277.452 4.992 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@H]1CCC1(C)C 2295601174 LOCBIZRVVMUMKJ-CRAIPNDOSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCc1nncs1 2295674949 WSCRIPBRVHLIBU-OAHLLOKOSA-N 297.512 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 2295691379 LCSQSVVRBFSHQH-JQHSSLGASA-N 281.484 4.673 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1sccc1CC 2304052458 OGCWJHCARYFQQY-AWEZNQCLSA-N 251.439 4.563 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(F)c1 2304079770 YGRDZZHRDVCDKL-AWEZNQCLSA-N 254.732 4.654 30 10 CJEE CC[C@@H](OC[C@](C)(CS)C(C)(C)C)C1CCC1 2307101437 ARAXOFIBBIHVKB-UKRRQHHQSA-N 258.471 4.564 30 10 CJEE CC(C)C[C@H](CS)CO[C@H](C)C1CCCCC1 2308050123 BIYCWHROROOBLB-KGLIPLIRSA-N 258.471 4.564 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H]2CCC[C@H]2C(C)C)CC1 2309896231 VORSWUDQBLNSHN-GVDBMIGSSA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 2312624256 USNNJRQOKFXQGX-HYVNUMGLSA-N 251.458 4.904 30 10 CJEE C[C@H](CCSC[C@@H](C#N)C1CCCCC1)C(F)F 2316777638 OZHBGYAMOBLUBB-DGCLKSJQSA-N 275.408 4.731 30 10 CJEE Cc1cc(Cl)c(C#CCCCCCCN)cc1Cl 2316798790 UXIYZJUOUYOHQI-UHFFFAOYSA-N 284.230 4.563 30 10 CJEE C[C@@H](CCS)CCOC[C@H]1C[C@H]2CCC[C@H]1CC2 2316869830 LEPHPRVFHJODEH-FXUDXRNXSA-N 270.482 4.566 30 10 CJEE Cc1c([C@@H]2CC[C@](C)(CC#N)O2)ccc(Cl)c1Cl 2318099899 UMHUSAMJUHYQSE-GXTWGEPZSA-N 284.186 4.826 30 10 CJEE C=CCC[C@@H](C)[C@H](CCCCC1CC1)NCCC 2318877916 TWBALANZWOIWLR-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)C1CCC(C)CC1 2321095489 JFTIIIBQKJFXGK-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)c(C)c1F 2321095813 MLXVQOIGGQCVRH-CABCVRRESA-N 269.791 4.780 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321553035 RPTAEOUHAKHOAU-VXGBXAGGSA-N 262.315 4.505 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1c(Cl)cccc1Cl)C2 2326921417 NUWPGNICHCYJQC-WGRBQBNCSA-N 282.214 4.534 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2333365577 POOKSKIQCTWQDW-IECFSIQFSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](C)C[C@H](NCCC)C1 2335098081 FYICSUMKNUHKFR-YQQAZPJKSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Oc1sccc1CN[C@H](C)CC 2335108503 FXXPGJSJBKOHBO-CYBMUJFWSA-N 279.449 4.536 30 10 CJEE C=CCC(CC=C)[C@H](OCCCN)c1ccc(Cl)s1 2338694172 QDLPNHZOHYEQHS-HNNXBMFYSA-N 299.867 4.576 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1cccc(C)c1 2338739684 YAEWDXDFLQVZMB-GOSISDBHSA-N 257.421 4.804 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)C)CCS[C@H](C)C1 2338743360 DXCKQQMLKGWYCJ-WBVHZDCISA-N 281.509 4.655 30 10 CJEE CC(C)(Cc1ccccc1)C[C@@]1(C#N)CCC1(C)C 2339448345 PLCARHGQYIFLIV-GOSISDBHSA-N 255.405 4.975 30 10 CJEE C#C[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341123221 YZRVVANKOYBWAC-LRDDRELGSA-N 298.257 4.564 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc2cc(Cl)ccc2n1 2341927426 WSFJNBJAEPHCSA-MRXNPFEDSA-N 274.795 4.505 30 10 CJEE CC#CCCCC[C@H](O)c1cccc(C2CCC2)c1 2343776904 AHMSROUYFCMZMX-SFHVURJKSA-N 256.389 4.571 30 10 CJEE CCC[C@H](CS)COCc1cccc(C2CCC2)c1 2343797784 WTJYEUMRUDITNR-HNNXBMFYSA-N 278.461 4.817 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC(C)(C)C1)CNC1CCC1 2344871562 LFFKJVSMFVJISG-CRAIPNDOSA-N 263.469 4.927 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)[C@H]1CCCCC1(C)C 2345005213 VSNHDCWCGCRCHM-AWEZNQCLSA-N 283.525 4.623 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]12C[C@@H](OC)[C@@H]1C2 2354285488 FCTRQGMKVPFFPM-MHORFTMASA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665285 ANTKYGWVLFIDCY-XUWVNRHRSA-N 285.422 4.912 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@@H](CCCCC)c2ccccc2)C1 2358847173 JUISMBQAZDNKBH-UHOSZYNNSA-N 269.432 4.700 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@@H](NCCC)C[C@@H]2CCC[C@@H]21 2360206003 SEVZDWYFYOJMQZ-DKIMLUQUSA-N 293.520 4.797 30 10 CJEE C=CCC(CC=C)Oc1ccc(CNC(C)C)cc1Cl 2360215040 PZVVZZQJDCYHAF-UHFFFAOYSA-N 293.838 4.738 30 10 CJEE CC(C)c1ccc(CS/C(N)=N/c2ccccc2)cc1 19671858 UBZZTMVSPHYTNW-UHFFFAOYSA-N 284.428 4.690 30 10 CJEE CC(C)c1ccc(S[C@@H]2CCCC[C@H]2C#N)cc1 37154723 VZGQZDBBFRZARQ-GOEBONIOSA-N 259.418 4.984 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)C1CCCCC1 37277848 OJBXVOWGOTXYFB-NSHDSACASA-N 262.784 4.592 30 10 CJEE N#C[C@H](C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 50038977 MEVDFIIKXQRKTH-VIFPVBQESA-N 296.178 4.545 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc2ccc(O)cc2c1 52907088 BQMFUTVYPOFDMM-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE CCCCCCCCOc1cc(OCCC)ccc1CO 59272127 GQTWIMCRBNCMNV-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(F)c(F)c1 59290940 AIXDFQXEKJIGPX-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCOc1ccc2ccccc2c1C(=O)O 59295554 ZDJMEMPVWPEIQF-UHFFFAOYSA-N 286.371 4.887 30 10 CJEE CCCCCCCOCC(=O)c1ccc(SC)cc1 59526190 FFNHZFBJFBKUMZ-UHFFFAOYSA-N 280.433 4.578 30 10 CJEE CC(C)(C)c1ccccc1N[C@@H]1CCCCC[C@H]1C#N 71174203 BTQPFEDFEHCUOO-GOEBONIOSA-N 270.420 4.868 30 10 CJEE C=CCc1ccccc1OCCCCCCNCC(C)C 71291445 BBFJSASHKMDLGG-UHFFFAOYSA-N 289.463 4.600 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(F)c(C)c2)CC1 91883787 BNFIYODURUNHEG-GMXGEUMGSA-N 289.394 4.668 30 10 CJEE N#Cc1ccc(NCc2ccccc2C2CC2)cc1Cl 94518280 WNIXKPGPDMEJPS-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CCC(CC)N(CC(C)C)C[C@@H](CS)c1ccccc1 94582120 WPCJVZCLCDNRHR-KRWDZBQOSA-N 293.520 4.847 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(C(F)(F)F)c1F 94601376 BLTOGEXCCIBPRR-ZDUSSCGKSA-N 289.316 4.851 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@H](C)[C@H]1O[C@H]1C 107616985 BDZSMQRMDKOWRZ-TWOQFEAHSA-N 296.410 4.540 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CNCCC 110325989 FCPIXISKGCVJGQ-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 112942348 MIBJPKWVJAFKFP-ZMSDIMECSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@@H]1C(C)C 114061579 RMOUADHDDKBGLX-RTBURBONSA-N 296.543 4.836 30 10 CJEE C=CC[C@H](NCCC)c1cc2sccc2s1 122324255 NLHVUFFLTYDINT-JTQLQIEISA-N 251.420 4.580 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(CC)s1)NN 122519962 XAIGWKUUFKPGSG-OAHLLOKOSA-N 296.524 4.826 30 10 CJEE N#Cc1ccc(Cl)c(NCC2CCCCCC2)c1 125705552 QPENDICJYBDSIP-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CCCCCCCn1nc(CC)c(C(=O)CC)c1CC 127163079 RWMZWSACBGNMDB-UHFFFAOYSA-N 278.440 4.571 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(C3CCC3)cc2)C1 133477111 OEDFMIIWIYQJFS-UHFFFAOYSA-N 254.373 4.727 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ccnnc1 135566183 UEBWOSSVKXCBGE-KRWDZBQOSA-N 278.440 4.821 30 10 CJEE CSc1cccc(N2c3ccccc3CC[C@H]2C)c1C#N 136605761 NRSGAEHCBUCFDZ-CYBMUJFWSA-N 294.423 4.753 30 10 CJEE CCSc1cccc(Nc2cc(C)ccc2F)c1C#N 136618750 YYCNULXJYXOMDS-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)c1 145702683 XDIIKPRXSGLCTB-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC(C)(C)C[C@H]1C 156060286 SFLRVGUBACBKMV-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE CCCCCCCCOC[C@H](NC)C1CCCCC1 157568898 MJUXIWUBLGWCII-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc2c(c1)CCO2 159166928 MHGMJYDNFIHLRS-OAHLLOKOSA-N 275.436 4.633 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 164005832 UYFUCWAIHXDKOY-LLVKDONJSA-N 284.325 4.814 30 10 CJEE C=C(C)CC[C@H]1CCCCC[C@H]1CNCC(C)C 164930331 VIRVTKZGKOMGNM-SJORKVTESA-N 251.458 4.785 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 167457390 QBYXPAKALVSGGY-GXSJLCMTSA-N 284.186 4.606 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CC(C)C 189903333 IAJMPGFPXYOEAP-UHFFFAOYSA-N 259.393 4.523 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217579554 UJELOWRBRQDVSB-FDQGKXFDSA-N 286.394 4.633 30 10 CJEE N#Cc1cccc(Nc2cc(Cl)cc(C(F)(F)F)c2)c1 227630832 JZZWWNWTYIGXJQ-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CC[C@@H](C)O1 228989597 FBKIUHFVXQWHFR-IXDOHACOSA-N 269.473 4.673 30 10 CJEE CCCCCCCn1ccc2cccc(C[C@H](C)N)c21 229738186 LVZRJEUSZPMKDD-HNNXBMFYSA-N 272.436 4.501 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cnc2ccccc2c1 230215926 KMUYJEFAKLTPLQ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(C)(C#N)CCCCN1CCCCc2ccccc21 232528109 DJQZTOOPWPCCAK-UHFFFAOYSA-N 270.420 4.549 30 10 CJEE CC(C)N(CCCCC(C)(C)C#N)Cc1ccccc1 232627123 JIRIMWOEUWZJDB-UHFFFAOYSA-N 272.436 4.617 30 10 CJEE C=C1c2ccccc2[C@@]2(NC(=O)OC(C)(C)C)CCCC[C@@H]12 238200370 XHFDNUDEONHSRQ-HNAYVOBHSA-N 299.414 4.624 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](OCCCC(C)C)C1 251352315 NYVRQVQYWIIDQZ-OAGGEKHMSA-N 251.414 4.548 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)C[C@@H](C)C[C@@H](C)C2)CC1 252541955 FKFTWDDSTQYURV-RASVIKGESA-N 277.452 4.530 30 10 CJEE CCCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 302447920 UXTPTCAHLMRJDA-ZYHUDNBSSA-N 298.213 4.996 30 10 CJEE SCC1(CN2CCC3(CCC3)CC2)CCCCCC1 308741687 GINURIIWODXTMZ-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccccc2C(F)(F)F)C1 312784873 OPBHKVZBMXHHEZ-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE CCc1ccc(N[C@H](CC#N)c2ccccc2)cc1C 312838965 VARPNNHXPKIQNN-GOSISDBHSA-N 264.372 4.624 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@H]2CC[C@H]1O2 317444839 VENKKIXJCGDRKB-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1ccc(Cl)cc1 319836591 LPRUZDMJMKGLTB-GWCFXTLKSA-N 253.798 4.616 30 10 CJEE CCC[C@H](Nc1ccc(C(C)(C)C#N)cc1)C1CCC1 322381617 LWGZUOZFNVIOAU-KRWDZBQOSA-N 270.420 4.868 30 10 CJEE C=CCCCCCCN[C@H]1CSc2ccccc21 385292919 WVLGWIFBGQJAIT-HNNXBMFYSA-N 261.434 4.560 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 385909953 GIYHUHSPFKONNE-SMOSDQRPSA-N 296.458 4.615 30 10 CJEE C=CC[C@H](CC)Nc1cc(C(F)(F)F)cc(Cl)n1 393836017 MDNUUVGNSBHJIZ-VIFPVBQESA-N 278.705 4.520 30 10 CJEE C=CC(C)(C)CNCc1cc(-c2cccs2)cs1 395362187 BXVXXFDWAHIWRQ-UHFFFAOYSA-N 277.458 4.778 30 10 CJEE CCCCCC[C@H](C)NC[C@H](C#N)C1CCCCC1 397055304 AJJHZVLPNFEYOE-RDJZCZTQSA-N 264.457 4.655 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](c1ccccc1)c1ccco1 398205646 YAAGUYIWZFEGRG-QAPCUYQASA-N 269.388 4.703 30 10 CJEE CCCCCCCCC[C@@H](O)CCC[C@@H]1CCOC1 400673075 GZRLZUWUGVICIQ-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@H](C)c1[nH]c2ccccc2c(=O)c1O 642773421 YMCVPONPIIZCGR-ZDUSSCGKSA-N 287.403 4.698 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(C)cc1Cl 686708481 GNRMHBQFKUXXNU-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CCc1ccc(CC)c(Nc2nc(Cl)c(C#N)s2)c1 689596657 OCZSCYSOASXQBU-UHFFFAOYSA-N 291.807 4.537 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(Cl)cc(F)c1F 691236721 PLHQEIHSXCEPER-CYBMUJFWSA-N 273.754 4.755 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCCCN1 694424683 LMKJPFUPSAIVIT-MRXNPFEDSA-N 267.457 4.619 30 10 CJEE C=C1C[C@H]2CC(NCCC3CCC(C)CC3)C[C@@H](C1)C2 697332198 FUODDJUXYUGCRK-HGAURGICSA-N 275.480 4.927 30 10 CJEE C=CCCCCC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 699087126 YHKKTBIHSWOBBH-BFYDXBDKSA-N 252.442 4.946 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(CC)s1 701908684 REMHZPLTMXMQMJ-LBPRGKRZSA-N 251.439 4.563 30 10 CJEE C#C[C@H](N[C@H](C)c1cc(Cl)sc1Cl)C(C)(C)C 702239763 HAFZETNFQDDSJC-SCZZXKLOSA-N 290.259 4.753 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(C)(C)C 702292202 AZYBAEKQFFEGHG-KSSFIOAISA-N 265.400 4.538 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@@H]21 707870935 QBFCPANWKLGQJJ-LUKYLMHMSA-N 251.458 4.904 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@@]12CCCC[C@H]1C2 709095023 GHJMTOBFHRJYJE-APHBMKBZSA-N 274.795 4.614 30 10 CJEE C=C(Cl)CC1(CNC(C)(C)C)CCC(C)CC1 710669831 PITSKVUEPYRNCZ-UHFFFAOYSA-N 257.849 4.714 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(OCc2ccccc2)cc1 715029629 RVSWLOLKVIJRPH-KXBFYZLASA-N 282.383 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H](N)C1CCCCC1 718826631 ZKFBNMCBJIQLCR-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@H](SCC(C)(C)C(C)C)C1 718870246 PXCDZUUWFULOII-RDJZCZTQSA-N 296.524 4.605 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(C)cc(C)c2)CC1 724446305 GHCJFBRGUGKNBB-MRXNPFEDSA-N 257.421 4.700 30 10 CJEE C=C1CCC(COc2cccc(CNCC)c2Cl)CC1 724556997 RHHFKIVSKOVYTR-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C1CCC(C[C@@H](O)C[C@@H](CC)C(C)(C)C)CC1 724571086 LJBKHUGGJVSLHV-HZPDHXFCSA-N 252.442 4.946 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(C)Cc1c(CC)oc2ccccc12 1124584844 GGSPHEVZSQQLLY-IBGZPJMESA-N 299.414 4.556 30 10 CJEE C=C[C@@H](CC(=O)OCc1cccc(CC)c1)c1ccccc1 1130384974 MRKDASURSTZRTM-SFHVURJKSA-N 294.394 4.652 30 10 CJEE C=CC[C@@H](C)N[C@](C)(Cc1ccc(Cl)cc1)C(C)C 1170582204 NFNOOFJBEZSADM-RHSMWYFYSA-N 279.855 4.851 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H](C)c1ccccc1 1180280724 MGTJJLVPOKLWKN-GOSISDBHSA-N 279.427 4.521 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](C)c2ccccc2Cl)C1 1205643319 ZFRMJCQHQWWFIE-HZSPNIEDSA-N 263.812 4.735 30 10 CJEE C=CCCCCCCCNC(=O)N[C@H]1CCCC[C@H]1CC 1220835708 QCNBGMUKEMTYPF-SJORKVTESA-N 294.483 4.781 30 10 CJEE C=CCCCC(=O)Oc1ccc(Cc2ccccc2)cc1 1264907784 FKVHTWXVKKFCDZ-UHFFFAOYSA-N 280.367 4.539 30 10 CJEE C=C(Cl)CN(Cc1cccs1)c1ccc(C)cc1 1307540517 ANCAMONKPSKLGF-UHFFFAOYSA-N 277.820 4.816 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 1308510685 SEEJUDWGCQQXPT-BRSBDYLESA-N 275.480 4.763 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cc(OC)ccc2C2CC2)C1 1308912531 WUPPMRCSHQGXAU-DZGCQCFKSA-N 271.404 4.729 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1cc(Cl)ccc1Cl 1348147833 LGYPSFOBEXRXHB-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=C1CCC(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)CC1 1353925723 DTHHWNVADHTCKE-IBGZPJMESA-N 297.442 4.795 30 10 CJEE C=CCCC(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 1435107483 AHVVZEUBBHNWLX-MDYRTPRTSA-N 299.458 4.945 30 10 CJEE C=CC[C@@H]1N(C(=O)c2ccc(Cl)cc2)CCCC1(C)C 1436083891 XYUPDCDLKOWRSF-HNNXBMFYSA-N 291.822 4.547 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1462171857 HORHCSKLTSXOAQ-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1N(C[C@H](C)c2ccc(F)cc2)CCCC1(C)C 1474482045 NXMUOZMWVOCYCT-YJBOKZPZSA-N 289.438 4.996 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1cc(C)ccc1C 1521555641 GJVCUCSWOLTOAG-UHFFFAOYSA-N 285.431 4.512 30 10 CJEE C=CCCCN1CCC(C)(c2ccc(Cl)cc2)CC1 1559810467 MNOIIYAHHUTSKB-UHFFFAOYSA-N 277.839 4.660 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(SCC)cc2)C1 1560570196 BEMMOVDEHVLJTK-GDBMZVCRSA-N 275.461 4.633 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H]1C[C@@H]1c1ccccc1 1560903799 DKXNVNVRAWPISI-KZNAEPCWSA-N 257.421 4.515 30 10 CJEE C=CC1(CC(=O)NCC[C@H](C)c2ccccc2)CCCCC1 1586147111 BVCXVDDVOVWSSI-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](C(C)C)C1CC1)c1ccccc1 1587841832 OFIUCUMJPQDAHY-OALUTQOASA-N 299.458 4.677 30 10 CJEE C=CCOc1cccc(CNc2ccc(Cl)c(F)c2)c1 1620916769 DMHXZXLTRHQOAP-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C=CCC1(CNCc2ccsc2Cl)CCCC1 1620935596 WGTJVJMMPKBVQZ-UHFFFAOYSA-N 269.841 4.628 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC[C@@H]1Cc1ccccc1 1621454999 VYDIFNUXNADABO-MSOLQXFVSA-N 271.448 4.590 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(CC)cc2)CCCC1(C)C 1642917529 CJURZWLFUKMVAX-SFHVURJKSA-N 271.448 4.816 30 10 CJEE C#CCCCCCCSc1ccc(F)cc1F 1651721101 ZSHOGBMOTARFFE-UHFFFAOYSA-N 254.345 4.641 30 10 CJEE C=C/C=C\CCN[C@H](CCCC=C)c1ccccc1 1654659380 ACIKDJXPPFQODZ-LZCIBIBXSA-N 255.405 4.806 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@]1(C)C[C@@H]1c1ccccc1 1657282832 MBPICLNBCYCARP-NHCUHLMSSA-N 291.438 4.868 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)c1ccc(OC)c(C)c1 1660801048 ZKNYRPXHFWBRJM-HZPDHXFCSA-N 275.436 4.789 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@](C)(CC)C1CC1 1676885262 WISNYURLFDUJGP-GOSISDBHSA-N 286.419 4.505 30 10 CJEE CC(C)(C)C1([C@H](O)CC#CC2CCCCC2)CCC1 1876806022 YTTBVSLPCFYDBL-MRXNPFEDSA-N 262.437 4.538 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 1885974503 LUZZTIPAWAISSH-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@](C)(O)c2ccc(CC)cc2)CC1 1886361331 RILYUFDLPLJVKS-SFHVURJKSA-N 258.405 4.593 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H](CC)C(C)(C)C)NC 1888676122 VBZHGUCUTFXUOO-SJORKVTESA-N 259.437 4.750 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1cc2cscc2s1 1888688033 CPPLRDCHYBSNEA-INIZCTEOSA-N 285.437 4.937 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccccc1C(C)C 1888712557 UPSWJOFTAYGUNL-GOSISDBHSA-N 252.357 4.557 30 10 CJEE C#CC1(Oc2c(Cl)cc(N)cc2Cl)CCCCCC1 1903472365 VGOZABUOYVRGGJ-UHFFFAOYSA-N 298.213 4.681 30 10 CJEE CCCCCCCCCCCC=C(C)[C@@H]1CNCCO1 1911893556 JXIFWAPNNXXKRY-SFHVURJKSA-N 281.484 4.842 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(CC)ccn1 1912401103 DIMHBVOKFIUBJO-KRWDZBQOSA-N 263.425 4.818 30 10 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259.384 4.536 30 10 CJEE SCC1(CN2CCCCC3(CCC3)C2)CCCCC1 2089174869 ZNWFEKDKUVLQOW-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@@H]3CCC[C@H]32)CC1 2089210722 NLQKLPQHVCKUAU-MLHJIOFPSA-N 261.453 4.537 30 10 CJEE CCCCCCCCC(=O)[C@](O)(CCC)C1CCC1 2091107519 PDVKMRJMSUOVTJ-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=CCCCCCNC[C@H]1CCCC[C@H]1C(F)(F)F 2092593484 GRASODDCBMEFAT-ZIAGYGMSSA-N 277.374 4.691 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCC(C)(C)C2)CC1 2094417991 MESFSVFVFYEZFQ-DLBZAZTESA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ncco1 2097637653 IOQKLTHRDYVYEM-HNNXBMFYSA-N 266.429 4.856 30 10 CJEE CCCCCCCCCCC1(CNC)CC(OC)C1 2100413551 LUGMWZPJXIBBFV-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)C1(CC)CCC1 2101240735 OTQLFIPUKYVSEZ-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(C(F)(F)F)cc1 2102104686 HEMXFQZXYRICQN-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1cccc(C)c1)NCCC 2102105832 PTKDVLNQYMRUMG-FUHWJXTLSA-N 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C=C(C)CCCCN1C(=O)c2cccc3cccc1c23 2287409472 VDCVJQKPVHNLIG-UHFFFAOYSA-N 265.356 4.546 30 10 CJEE CCCCCCCCCN(C)[C@H](CC)[C@H](C)CN(C)C 2288808328 TYKYIXJYLDIQGN-QZTJIDSGSA-N 284.532 4.645 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]12C[C@@H](CO1)C2(C)C 2289264275 KZRCMDZQHBZBOO-XYJFISCASA-N 281.484 4.660 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CC(C)=C[C@H](C)C1 2289844314 LWTMUYBCWNXEJE-ZYSHUDEJSA-N 273.464 4.541 30 10 CJEE Cc1cc(NCC2CC(CC(C)(C)C)C2)ccc1C#N 2290065896 YRMLRUGTTUCWGF-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCCCCCC[C@](CC)(OCC(=O)O)C(C)(C)C 2291263589 WUDOIJPRCWOLMR-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@](C)(CC1(C)CC(C)C1)OCCN 2292665177 GHVAFRKJOMVXON-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE C=C(CC)C[C@](C)(OCCN)C1CCC(CCC)CC1 2293063225 GTZIOUWUQRUOKL-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=CC1(C[C@H](OCCCN)c2cc(C)sc2C)CCC1 2294558595 DQEKSCSKKYVASY-INIZCTEOSA-N 293.476 4.518 30 10 CJEE CCCCCCCCC(OCCCN)(C1CC1)C1CC1 2294563386 AROZRBYEPRIMNT-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1[C@H]2COCC[C@@H]21 2295591201 BVBFQJVXHHYQQC-BDXSIMOUSA-N 282.468 4.551 30 10 CJEE C=CC[C@](C)(CO)CN[C@@H](C)CCCCCCCCC 2295679087 MMBBKZIETIKMLE-ROUUACIJSA-N 283.500 4.680 30 10 CJEE C#CCCCC[C@@H](NCCC)c1ccc2scnc2c1 2296147544 CSHZDFGPOYZYTG-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE C=CC[C@@H](C)SCCCCCCCCCCO 2298818824 HSYXZHIWLQLHOQ-OAHLLOKOSA-N 258.471 4.797 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(Br)c(F)c1 2301010655 QXXHDMQWJBAVEM-UHFFFAOYSA-N 297.167 4.539 30 10 CJEE CCC(CC)(CS)CN(C)c1ccc(Cl)cc1 2301371123 BCDLNRINIWUZBG-UHFFFAOYSA-N 271.857 4.512 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(C)c(Br)c(C)c1 2304042356 VPZGMCDWYPTBKQ-AWEZNQCLSA-N 296.252 4.668 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(F)(F)F 2308494153 OIIKOGOGGLNDDS-JHJVBQTASA-N 265.363 4.523 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1Cl 2315463203 OKEWLXJKVZXXEJ-XJKCOSOUSA-N 263.812 4.735 30 10 CJEE C[C@@H](CCSC[C@H](C#N)C1CCCCC1)C(F)F 2316777637 OZHBGYAMOBLUBB-AAEUAGOBSA-N 275.408 4.731 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(Cl)cccc1OC 2321127207 HRUFLPICMPQRQE-HNNXBMFYSA-N 266.768 4.524 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)c(C)cc1F 2321133702 IKOICPDCLAOKIT-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE C=CCCS[C@@](C)(CCCCCCCC)C(=O)O 2327023067 YIBQMUIGTRHKIG-HNNXBMFYSA-N 272.454 4.890 30 10 CJEE CC(C)(C)[C@](C)(CS)COCCCCCC1CC1 2327163688 RQTRAOHGUNAMIK-INIZCTEOSA-N 272.498 4.956 30 10 CJEE CSc1ccc(OC[C@@H](CS)CC(C)C)cc1C 2328524768 APHBDGDNIIUYRQ-ZDUSSCGKSA-N 284.490 4.688 30 10 CJEE CCC(=NOCc1ccc(C#N)cc1)c1ccc(C)cc1C 2330259230 DZLVNWYEUMLGME-UHFFFAOYSA-N 292.382 4.506 30 10 CJEE Fc1cc(OCCCCCCS)cc(C(F)(F)F)c1 2335692173 NOXUTQJGLXLYCN-UHFFFAOYSA-N 296.329 4.714 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCCCCCC1(F)F 2337106143 FMZYKRSWGZHKGF-RBSFLKMASA-N 271.395 4.679 30 10 CJEE CCCCCCC[C@H](O)C1(c2ccc(F)cc2)CC1 2338774819 BYVDPOLDBDTZAR-INIZCTEOSA-N 264.384 4.579 30 10 CJEE Cc1c([C@H](O)[C@@]2(C#N)CC[C@H](C)C2)ccc(Cl)c1Cl 2340530827 SOECIDTYEFLUST-LNHVQRHZSA-N 298.213 4.665 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccc(C)cc1SC 2342305699 QMGKHZPBLGXUFT-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC2(CCCC2)C1)NC 2344348749 NEMISRRJTJYQBQ-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCO[C@@H]1CN[C@@H](C(C)C)C1 2344600159 FDEYHTPMWORYAC-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@@H](C)CC1 2352213576 BDKQDATUJGEPQK-CZUORRHYSA-N 282.449 4.664 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@@H]1CC(C)(C)C1(C)C 2352320139 WQHBMXHFXVLLHS-DYVFJYSZSA-N 285.541 4.725 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@](C)(F)C(C)(C)F)NCCC 2353307018 SONMEDPRAYDUDE-XJKSGUPXSA-N 275.427 4.823 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1[C@@H]2CCCO[C@@H]21 2358322477 QYBKQFUQLJBONT-JQHSSLGASA-N 278.436 4.677 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(C)c(F)c1 2360202257 RVORMBSEMAPOHP-KRWDZBQOSA-N 293.451 4.649 30 10 CJEE CCc1cccc(Oc2ccc(C#N)c(Cl)c2)c1 35823161 FRMNGMXJQCBPBU-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc(Cl)cc(Cl)c1 37935430 VEZBDJOPCYWUGP-CQSZACIVSA-N 277.154 4.670 30 10 CJEE C[C@@H]1CCC[C@@]2(CS/C(=N\c3cccc(Cl)c3)N2)C1 53099176 YTEYYNWDXMUYOB-ABAIWWIYSA-N 294.851 4.613 30 10 CJEE C[C@@H]1CCC[C@@]2(CS/C(=N\c3ccc(Cl)cc3)N2)C1 53099197 DQTNBKXGCNCXHM-ABAIWWIYSA-N 294.851 4.613 30 10 CJEE Cc1ccc(Cl)cc1N[C@@H]1CCCCC[C@H]1C#N 54822705 SHIOHWNFCHRLBX-GXTWGEPZSA-N 262.784 4.533 30 10 CJEE N#C[C@@H](CCOc1cccc(F)c1)c1ccccc1Cl 57685381 FUIWISXVQBBLKG-GFCCVEGCSA-N 289.737 4.555 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C#N)COc2ccccc2C1 87997494 MDMNRVGLMCHWIL-QAPCUYQASA-N 271.404 4.738 30 10 CJEE C[C@@H]1CCC[C@H]([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)C1 91903961 ZKQMBFZWVWBWEV-ULTATGHMSA-N 291.479 4.920 30 10 CJEE C=C(CC)C[C@@H](N)C(c1ccccc1)c1ccccc1 97208443 CDESASWIAFUCMS-GOSISDBHSA-N 265.400 4.502 30 10 CJEE Cc1cc(C)cc(Oc2cc(Cl)ccc2C#N)c1 104181180 JSNXDJMWUKOSLS-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCN(CCCCCC)C[C@@H](C)C(=O)O 105495117 VKHCLZSFEGXXMQ-MRXNPFEDSA-N 285.472 4.560 30 10 CJEE CCCCCCCn1cc(C#N)c2ccc(F)cc21 107043458 IGSNAZCTGUURIR-UHFFFAOYSA-N 258.340 4.622 30 10 CJEE CCCCCCCn1cc(CC(C)=O)c2ccc(F)cc21 107043570 DNSVEOSDFCZASX-UHFFFAOYSA-N 289.394 4.882 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCc2ccccc2C1 109947439 DIWCYHDDRNCPEJ-QFBILLFUSA-N 273.464 4.883 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1ccc(C)cc1 110067938 GGHKLVUBEIUDQE-IBGZPJMESA-N 289.463 4.775 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 110264673 NQAGRZZKOKLPGS-KZNAEPCWSA-N 278.484 4.996 30 10 CJEE CCCCCCCCn1cc([C@@H](CC)NCCC)cn1 110267915 XTDYDRNMYHPGRZ-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@H]1C(C)C 114056107 JYOABMQVMWRUDO-IBGZPJMESA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@H](CN)c1ccc(Cl)cc1 118846230 MPEHOBONUNMYIV-CQSZACIVSA-N 253.817 4.743 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1cc(Br)ccc1C#N 123316426 UKVKNFOTFPUXSW-MNOVXSKESA-N 295.224 4.557 30 10 CJEE CCCC1CCC(n2c(S)nc3ccc(C#N)cc32)CC1 125009789 PJMVHEDSVUVEQT-UHFFFAOYSA-N 299.443 4.728 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(OC(F)F)c1 125741093 IQZFDLKZIFUHRM-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE CCCCCCCCOc1c(CN)oc2ccccc12 125903616 XLHVVUMBSWVFKY-UHFFFAOYSA-N 275.392 4.631 30 10 CJEE CCCCCCCC[C@@H](CSc1cccc(F)c1)NN 126921375 ZGEWYDZJMKYEBQ-HNNXBMFYSA-N 298.471 4.500 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 127071594 KDGROMUJEXJRQZ-RWMBFGLXSA-N 274.433 4.517 30 10 CJEE CCCCCCCCC(=O)[C@H]1CC(C)(C)OC1(C)C 128501343 YRYVDKQDYJTZGW-CQSZACIVSA-N 268.441 4.900 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCCCO1)NC 134532664 WHDAEEWQXNHNDO-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CSc1cccc(NCc2cc(C)c(C)s2)c1C#N 136673221 WEENNJKCVKDLQD-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(C)nn1CC 143450073 YTXJDZZFIDJSGQ-MRXNPFEDSA-N 279.472 4.742 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(F)cc(Cl)c2)C1 161410292 VDXPTOMEKHUGBX-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE C=CCCN[C@H](C)c1ccc(-c2ccccc2)cc1 161742320 BDODOAZIIZQXLV-OAHLLOKOSA-N 251.373 4.580 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(Cl)c2F)C1 167059381 VKTVRVVCXJWZQF-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(C)c2)C1 226731477 WRKDLELFDUSIBK-YCPHGPKFSA-N 259.418 4.806 30 10 CJEE CCCCCCC[C@H](NCCC)C1(OC)CCCC1 228220354 PKEKUAGHRWRVQA-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](N)CCC(C)(C)OC 231020605 SALSRWLFJBWCDP-OAHLLOKOSA-N 257.462 4.660 30 10 CJEE C=CCSCCN[C@@H](CCCC)c1ccc(F)cc1 231930499 VKORUTCCKPYRKU-INIZCTEOSA-N 281.440 4.566 30 10 CJEE CCSc1cccc(NCCCCCSC)c1C#N 233872963 JSAFRRULOGNXPA-UHFFFAOYSA-N 294.489 4.615 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1C[C@@H](N)CC 234047076 RONLBHXRDCOCCR-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE Cc1cc(C)c(CNc2ccc(C#N)cc2Cl)c(C)c1 235844202 AHSNSTMTTNAIAJ-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@]1(C)CC 250797719 BMIMMNOSOGXXJY-GUDVDZBRSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)c1cc(F)ncc1F 302545467 PKKDCZQGOCJAKS-UHFFFAOYSA-N 269.335 4.683 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 309969548 MYBAJVPSQIYYTO-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@H](C1CCCCC1)[C@@H](C#N)Nc1cccc(Cl)c1 311742392 SXUPPEHATWIBRJ-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccccc1C(F)(F)F 312357384 WDHUPUXUSFGYSN-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC(F)(F)c2ccccc2)C1 316817174 JVUSAQSICKUNSY-ZBFHGGJFSA-N 280.358 4.954 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(C)c(C)n1 316895555 ROHDBZRAIJBIRM-QGZVFWFLSA-N 263.425 4.873 30 10 CJEE C=CCC(C)(C)CN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 380950358 POBFCFBMKFSALQ-HRCADAONSA-N 251.458 4.639 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CC[C@H](CC)CC1 380997746 JARVBCUQMLMMQI-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CC[C@@H](CS)CSc1cc(C)c2ccccc2n1 385169672 OIPNLYJNEHIYCE-LBPRGKRZSA-N 277.458 4.591 30 10 CJEE C=CC[C@H](CNCCC)Cc1cccc(Cl)c1Cl 386625925 FBLAHKXWZRMLPI-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE C=CCC(C)(C)CNc1nc(Cl)nc2sc(C)cc12 389179216 KJWQMCYDVZDXDS-UHFFFAOYSA-N 295.839 4.667 30 10 CJEE C=CC[C@@H](CC)NCc1c(Cl)oc2ccccc12 393829634 UNZWJDKIALPIRC-LLVKDONJSA-N 263.768 4.531 30 10 CJEE CCCCCCCCCCC(=O)CCN1CCCCC1 395845007 QDQHHYSUCBPLKR-UHFFFAOYSA-N 281.484 4.962 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 398198468 UVDXPRNIWPLGDI-HZPDHXFCSA-N 271.448 4.961 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC)CC(C)(C)C 463923381 YOJNAHMQIBEAKZ-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE N#Cc1ccc(-c2ccccc2C(F)(F)F)c(Cl)c1 514261113 VGPNGMBADBYPTN-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2ccccc2C)o1 538170545 BHAAIMQLKDTANM-CYBMUJFWSA-N 288.416 4.882 30 10 CJEE C=CCN(C(=O)c1c(C)oc2ccccc12)c1ccccc1 545216579 XEJMVZFNWRRBEC-UHFFFAOYSA-N 291.350 4.574 30 10 CJEE CCCCCCC[C@@H](Cc1ccsc1Cl)NC 687914947 DINGENKKZAULRS-ZDUSSCGKSA-N 273.873 4.893 30 10 CJEE CCCCCCCCCCNC[C@]1(C)CC1(F)F 689670228 OXFJSLAJRPJERR-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1C#N 692226230 DFNMDDABNBSVTD-IUODEOHRSA-N 274.795 4.758 30 10 CJEE C=CCCSCCN[C@@H](C)c1c(C)cc(C)cc1C 696034433 OMZAWRUMBOHBNA-INIZCTEOSA-N 277.477 4.572 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(Cl)ccc3C#N)C[C@@H](C1)C2 697333923 PZUGAMFZAKKBFB-OCZCAGDBSA-N 286.806 4.758 30 10 CJEE CCC[C@H](CS)CN(C)[C@@H]1CCCC(C)(C)CC1 697827879 KCYWPZKJPCTGOT-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE C=CCCCCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 699087129 YHKKTBIHSWOBBH-HLLBOEOZSA-N 252.442 4.946 30 10 CJEE Cc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C#N)c1 703772335 SZGOYGBORSWEMO-UWWQBHOKSA-N 270.420 4.739 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc(Cl)cn1 704238349 OFPBMYLTUHQEBZ-UHFFFAOYSA-N 281.827 4.987 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H](OC)C1 706588590 ZQFORRPOCITMOV-QAQDUYKDSA-N 269.473 4.674 30 10 CJEE CCCC(CS)(CCC)CN1CCC12CCCCC2 707160153 OYMXTXASNNTHOG-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1C 709146630 FMCPXIFQGDVBRC-HZPDHXFCSA-N 256.393 4.638 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CCCC1(F)F)NCC 714004643 ZVRGHPBWESTLOZ-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](CCc1cccc(C)c1)NCCC 715800749 UMFPCYBLIJTEDQ-AEFFLSMTSA-N 259.437 4.508 30 10 CJEE CCCCCCCCCNCC[C@@H]1CCC2(CCC2)O1 717116955 VTENZWHBSVMPCG-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C=CCCC(C)(C)Nc1ncc(Cl)cc1Cl 717581159 VHLSSUIVITWMKG-UHFFFAOYSA-N 259.180 4.545 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)Sc2ccccc2F)C1 719378778 XBCDYFZTAFJJHA-VLXAULBPSA-N 277.408 4.882 30 10 CJEE C=C1CCC(CNCCc2cc(Cl)cc(Cl)c2)CC1 724446583 IRBJFLBALDGHTI-UHFFFAOYSA-N 298.257 4.872 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2C[C@@H](C)O[C@H](C)C2)C1 724882280 JTIZPDVZLLHVJY-KCYZZUKISA-N 263.425 4.690 30 10 CJEE CSc1cc(CC#N)cc2sc(C(F)(F)F)cc12 725316409 UQEHKBSLYMBTNO-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CCSc1ccc(/C(=N/OCC(C)C)C2CC2)cc1 821234538 VKBRGRRGVFXSAO-WUKNDPDISA-N 277.433 4.585 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2ccc(CC)cc2)C(C)C)CC1 1124689196 ZHUCJOQSGJQHGC-LJQANCHMSA-N 299.458 4.809 30 10 CJEE C=C1CCC(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 1125562421 GQMYIBMILHUTHP-UHFFFAOYSA-N 298.213 4.987 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1(C(C)C)CC1)c1ccccc1 1126800292 PYFWAAVHKYYEOM-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1ccc([C@H](C)CC)cc1 1127549532 PTTNUQRDIBGFCE-RDTXWAMCSA-N 274.404 4.846 30 10 CJEE C=C(C)CCC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1128632495 DFPHNVGVGKVONE-DLBZAZTESA-N 272.388 4.771 30 10 CJEE C=CCCCCCN(C)C[C@H](O)c1cccc2ccccc12 1191134446 YGYFJKYFNNVZOX-FQEVSTJZSA-N 297.442 4.551 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(F)(F)F)co1 1196058266 YROBLFYTDQWNMA-BXUZGUMPSA-N 287.325 4.523 30 10 CJEE C#CC[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccccc1 1201521276 BTVLEPOYVJRASV-SJLPKXTDSA-N 269.432 4.557 30 10 CJEE C=CCCC1(CN[C@@H]2CCCC23CCC3)CCCC1 1206656426 LRDQIENMWUCWJR-MRXNPFEDSA-N 261.453 4.825 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc3ccsc3c2)C1 1242315490 JDHZUILRVXLVBG-UHFFFAOYSA-N 256.370 4.674 30 10 CJEE N#CCc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cn1 1243113906 BMKPTJVRGBTCRY-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cccc2c(C)c(C)[nH]c12 1302190390 YHYVYVZVKVOLRF-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=CCCC[C@@H](C)NC[C@@H](C)CC1CCCCC1 1308345737 MVBSLITWZUJJRZ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@@H](C)NCc1cc(C2CC2)ccc1F 1308787335 ROVRFSIFFDHHHL-CQSZACIVSA-N 275.411 4.928 30 10 CJEE C=CC[C@@H](C(=O)NC[C@@H](CC)CCCC)c1ccccc1 1351566065 GGOORJVNVOUMGZ-FUHWJXTLSA-N 287.447 4.679 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](C)c1cccc(Cl)c1 1438262042 YWJZXLBVSXHHJV-CYBMUJFWSA-N 293.838 4.552 30 10 CJEE C=CCC1(CNCc2c(Cl)cncc2Cl)CCCC1 1461503172 UCMIQUPUEBCWSO-UHFFFAOYSA-N 299.245 4.615 30 10 CJEE C=CCCCCCN(C)C[C@H]1CCCC(C)(C)C1 1461960884 PQLOEQUDMMSXRZ-INIZCTEOSA-N 251.458 4.881 30 10 CJEE C=CCSc1ccccc1C(=O)NCC[C@@H](C)CCC 1462526473 YJRRTZSXWYTLFQ-AWEZNQCLSA-N 291.460 4.521 30 10 CJEE CCCCCCCCCCN1CCOCC12CCCC2 1473349464 CLTAZMJYIKRZSJ-UHFFFAOYSA-N 281.484 4.772 30 10 CJEE C=CCC1(NCc2ccc(OC(F)F)cc2)CCCCC1 1473719173 DQEFKDHAJSASGP-UHFFFAOYSA-N 295.373 4.657 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(Br)nc1 1474408906 YWTXMBWCNJYUBX-LBPRGKRZSA-N 297.240 4.781 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc(-c2ccccc2)cc1F 1475925216 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284.532 4.883 30 10 CJEE C=CCOc1ccccc1[C@@H](CCC(C)C)NCCC 2164196267 MDTPVAFLDVRBTQ-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnsc1COC 2164490665 CQTIRKRCQQROMC-HNNXBMFYSA-N 298.496 4.820 30 10 CJEE N#C[C@@]1(C[C@@H]2CC23CCCC3)CCCc2ccccc21 2165711862 UZSCXCSALFMNRD-LPHOPBHVSA-N 265.400 4.755 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2166051508 SWIXBIULSULTAY-ORIJERBGSA-N 282.374 4.597 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)C(C1CCC1)C1CCC1 2167608947 OXPPWUXPWAKCHR-QGZVFWFLSA-N 275.480 4.621 30 10 CJEE CC1(C)C[C@](C#N)(C[C@@]2(C)CCCCC2(F)F)CCO1 2167971835 OZGDQTNKLUXUJI-CABCVRRESA-N 285.378 4.691 30 10 CJEE C=CC1(C[C@H](Cc2ccccc2Cl)NCCC)CCC1 2168023349 LBQDFZOUHACYNV-INIZCTEOSA-N 291.866 4.997 30 10 CJEE C=CC1(C[C@H](NC)c2ccc(C(C)(C)C)cc2)CCC1 2168027369 DAULGOJFOJNQAF-KRWDZBQOSA-N 271.448 4.991 30 10 CJEE CC(C)C1CCC([C@](C)(O)[C@]2(C#N)CCC[C@@H]2C)CC1 2168381100 BAHYVCMWLRMNPY-FHZKDXSVSA-N 277.452 4.530 30 10 CJEE 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30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]2COC[C@@H]21 2198562871 AWOHCDFHVDHVSZ-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@]12CC[C@@H](CO1)C2 2199187757 UCGQIBVIRJCFID-KURKYZTESA-N 281.484 4.674 30 10 CJEE C=C(C)CC[C@@H](C)Nc1ncccc1[C@H](F)C(F)(F)F 2199312166 CTDWMDXQBOMQAM-PWSUYJOCSA-N 290.304 4.811 30 10 CJEE CCCCCCCCCc1cc([C@H](NC)C2CC2)on1 2202456799 JNYNUZLTEXJYMG-QGZVFWFLSA-N 278.440 4.638 30 10 CJEE CCCCC#CC[C@](C)(O)C12CC3CC(CC(C3)C1)C2 2203780512 XHWSYJGJJPCPJF-NNGLDNROSA-N 274.448 4.538 30 10 CJEE CCCC#CC[C@H](NCC)c1cccc2ccccc12 2203784873 HWMCNELEDSBCTB-IBGZPJMESA-N 265.400 4.684 30 10 CJEE CCCCCC#CC[C@H](NCC)C1[C@@H]2CCCCC[C@@H]12 2203810223 MMTZMWWPCFDSDX-KURKYZTESA-N 275.480 4.765 30 10 CJEE CCCCCCCc1cc([C@H](N)C2CCCCC2)on1 2203847364 XYNRKKKOFXQBLK-QGZVFWFLSA-N 278.440 4.768 30 10 CJEE C#C[C@@H](N[C@H](CCCC)c1ccccc1)C1CCCC1 2204030032 ZTPGKQYDFRUVSU-RTBURBONSA-N 269.432 4.700 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H](CC)CCOC 2206895731 WYJXRAUOMXPMIE-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCC[C@H](NCCC)c1snnc1CC 2206902467 KNAQGXYVLQOBKD-HNNXBMFYSA-N 295.496 4.668 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1CC[C@H](OC)C1 2207382841 WRWMPOJCZOGXAG-MSOLQXFVSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCn1c(C=O)nc(C)c1C 2207401960 GUSDNGLXMYVBNG-UHFFFAOYSA-N 276.424 4.619 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[C@H](NC)C[C@H]1OC 2207404140 MMMASDWGOIXCEA-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H](O)[C@H](C)CC 2207407411 CJVUOYXOXNEYDK-FGTMMUONSA-N 283.500 4.678 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C1=CCC(C)(C)CC1 2207443896 FCZJAISTWZEKPO-DLBZAZTESA-N 281.484 4.562 30 10 CJEE C/C=C/CCC[C@@H](NCC)[C@@H](O)CCCCCCCC 2207444193 HJZVNGVORBYILF-GNLKBHMISA-N 283.500 4.822 30 10 CJEE CC[C@H](C)C[C@](C#N)(CSC1CCCCC1)NC(C)C 2207582863 DRCUVEKXZZOBNQ-RDJZCZTQSA-N 296.524 4.749 30 10 CJEE C=C(CC)Cc1ccc(Br)cc1CC 2209912783 NQQZXNMTYWSVMA-UHFFFAOYSA-N 253.183 4.520 30 10 CJEE CCCC[C@@](C)(C=O)CC1C[C@H]2CCC[C@H](C1)C2 2218376231 UKFHUWLNPXBQEV-YQQAZPJKSA-N 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C=C[C@](N)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(C)(C)C 2230710778 CECGSZLVQMQETH-KONPQCLYSA-N 263.469 4.913 30 10 CJEE CCCCCCCCCCOc1csc([C@H](C)N)n1 2231039481 GJHLJFNGZYXXOO-ZDUSSCGKSA-N 284.469 4.682 30 10 CJEE C=C(F)C[C@H](NCCC)c1ccc(C2CCC2)cc1 2231691376 BGAYWOHAAOTBMY-KRWDZBQOSA-N 261.384 4.868 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](OC)[C@H](C)CC 2231940735 MUADGOQVGDVXRP-IXDOHACOSA-N 271.489 4.776 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CNCCC(C)C 2234032808 CJJWOFRQIXPRET-SFHVURJKSA-N 283.500 4.944 30 10 CJEE C=CCCCCO[C@@](CC)(CC1CCCCC1)C(=O)O 2234040203 DUASHFFQRKFXGD-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H]1CNCCC 2234056168 HVJUAGOHWOXXGI-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CCCO)C1 2234183366 YKEFYCLEDDWVFT-GOSISDBHSA-N 283.500 4.612 30 10 CJEE Cc1csc(CNc2ccc(C(C)(C)C#N)cc2)c1C 2234234568 CHUHNIFSUGYQBO-UHFFFAOYSA-N 284.428 4.778 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1ccccc1OC 2235524104 MRVJBYMOJNLWTH-QGZVFWFLSA-N 276.420 4.515 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(C)c(OC)c1 2235526517 LWZOKEDTADGFAZ-QGZVFWFLSA-N 275.436 4.920 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC(F)(F)C1 2238898699 NABGEVIWQNMKMR-UGUYLWEFSA-N 284.390 4.988 30 10 CJEE C=CCN(CCC)c1ccc(CN[C@@H](C)CC)cc1Cl 2240030497 FMIMWRLGIVFMDP-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE C=CC[C@@H](CNC1CCC1)Cc1ccc(C(C)C)cc1 2240099712 HSSGROCVDKTECE-QGZVFWFLSA-N 271.448 4.687 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CCC[C@@H](C1)OC2 2240667086 SMCXAXAHUVLMRH-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE C=CC[C@](C)(Nc1ccc2cc(C)ccc2n1)C(F)F 2241094927 IZQXFRPJBPSJBH-INIZCTEOSA-N 276.330 4.555 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cscc1CC 2250148307 YZBAXSYIWUEQQH-OAHLLOKOSA-N 251.439 4.708 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1csc(C2CC2)c1 2256045718 JDGKSXZTTMVFCX-UKRRQHHQSA-N 261.434 4.632 30 10 CJEE C=CCCCCCCCSCCN[C@H](C)C(C)C 2258988712 ZQMAYXPDTZFKLL-MRXNPFEDSA-N 271.514 4.880 30 10 CJEE C=CCCCCCCCSC[C@@](C)(O)C(F)(F)F 2259007916 IUJZDEBMYHMDBP-GFCCVEGCSA-N 284.387 4.560 30 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CCCCCCCC[C@@](C)(OCCCN)[C@H](C)CC 2276571396 BTRYQWMIGQRUMN-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H](C)[C@@H](C)CC 2276635053 DLEBPSODBJIOIO-ULQDDVLXSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC1(C)C 2276795473 AHFUKKZLIWBOII-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CC(C)CCC[C@@H](C)CCOCc1ccsc1C#N 2277459538 GVKPBOYPAMGPML-CQSZACIVSA-N 279.449 4.989 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(Cl)c(F)c1)NCCC 2277803037 DLKQUCWUBDVTMF-AWEZNQCLSA-N 283.818 4.746 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)CCCO 2278242842 KQQSEDJKIWXIPG-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(CN[C@H](C)CC)c(C)c1 2282952485 VMNJXPMWYHOADQ-HZPDHXFCSA-N 275.436 4.617 30 10 CJEE CCCCCCCCCOC[C@@H](NC)[C@H]1CC12CCC2 2283687929 PSFIFVMVQLDOQT-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE C[C@H]1CC[C@H](CSc2cc(C#N)c3ccccc3n2)C1 2284047229 DPFLUZYBKRAXFW-STQMWFEESA-N 282.412 4.635 30 10 CJEE C[C@@H]1C[C@@](C#N)(CCCCCCCCCCO)CCS1 2286810941 RRQPSGJYCFTCQS-IAGOWNOFSA-N 297.508 4.915 30 10 CJEE C=C(C)CCCCC(=O)[C@](O)(CC)CC1CCCCC1 2287378019 JEYPIWQGMMGXNZ-SFHVURJKSA-N 280.452 4.804 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1CCC(CC)CC1 2289699602 CVYDBJDEDJLBFB-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE N#Cc1c(F)cccc1SC1CC2(C1)CC1(CCC1)C2 2289704068 LEQDUTPLXLNXII-UHFFFAOYSA-N 287.403 4.902 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)C=CC[C@@H](C)C1 2290617574 CCFXDSHRXDTXAQ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@]1(OCCC(=O)O)CCC[C@@H](CCC)CC1 2290760221 OVNPDEBKZJCDHD-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C1CC(C)(C)C1 2291654713 SITHUJLNUCZRJL-HNNXBMFYSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H](C)CC(C)C 2292784770 OCDLMKIJILVPFU-MSOLQXFVSA-N 283.500 4.929 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1CC(C2CC2)C1 2293282242 CKGZCNSPUUIRRV-DAWZGUTISA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@H]1[C@@H](C)[C@H]1C 2293457908 DQXIYYYJPZXHJM-XMTFNYHQSA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CC[C@H]1CC 2293582445 YRKVJOXXQFAFFR-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCC[C@@H]1CC 2293878619 JTUFDBNMAVZILC-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(Cl)cc1C 2294033563 TVZRTQKGQOWCTG-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)Cc1ccsc1C#N 2294719531 PPRMXGZJRZEIAO-KBPBESRZSA-N 290.476 4.656 30 10 CJEE C#Cc1ccc2c(ccn2CCSC2CCCCC2)c1 2295172042 RNPUAUPSGKQQJZ-UHFFFAOYSA-N 283.440 4.689 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@H]1C[C@@H]1CC 2295677444 TWEVEHAMDCMOGQ-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CC2(CC2)CO1 2295690195 YXMWRFYIWOSARK-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C#CC[C@@H](CSCC1CCC(C)CC1)C1CC1 2299029662 BVQMLMDPKQCJCO-XUJLQICISA-N 250.451 4.595 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](C)SC 2299409885 FASLVIBWMBOQNO-HUUCEWRRSA-N 259.503 4.857 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1csc(C(F)F)c1 2304126293 WEUHOSXOXDDPNL-AAEUAGOBSA-N 260.349 4.712 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@@H]2C[C@@H]21 2312117749 HHNDHXOGORRKPY-IXDOHACOSA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)Sc1ccc(Cl)cc1CNC(C)C 2313695892 PSYHOFKRABRDGA-LBPRGKRZSA-N 283.868 4.895 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1CCC1(F)F 2313774018 BIFBKEINIPNPRJ-UONOGXRCSA-N 262.384 4.923 30 10 CJEE C#CCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2316954459 AXDZLAZKRWACBV-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2321097215 ZMEROVZQSFNOHE-YYIAUSFCSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCC[C@H]1C(F)(F)F 2321147927 LEPWRTLQXLLXTN-WDEREUQCSA-N 262.315 4.527 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 2337110639 CQDISADVKWJWAP-ORDFZIBCSA-N 261.453 4.536 30 10 CJEE O[C@@H](C#CC1CC1)c1ccc(-c2ccc(Cl)cc2)s1 2337505405 PDHNSFPLSPZQAK-AWEZNQCLSA-N 288.799 4.515 30 10 CJEE CCC(CC)CC[C@@]1(C=O)CCCc2ccccc21 2338163662 HXVCGQNVNKQBLF-GOSISDBHSA-N 258.405 4.676 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(SCC)cc1 2338726378 ZXHLBWRIVYZRQJ-KRWDZBQOSA-N 275.461 4.828 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@H]1C[C@H]1C1CCCCCC1 2338733131 PFQCKDMRRYTWIP-BZSNNMDCSA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCC12CCC2 2338743656 HQDSDMYNJVPFGA-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CCC12CCC2)NCC 2338744364 NHKWEJXHRKUHJE-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE C=C1CC([C@H](C[C@H]2C[C@H]3CCC[C@H]2CC3)NCC)C1 2338922386 ZEFBFYHHRUIIGV-CUSZFKRNSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCC2(CNC2)C1 2339792358 COWMROBETIJWHK-QGZVFWFLSA-N 269.448 4.999 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccnc1C(C)C 2342170863 YISAQLAFCXWLRV-INIZCTEOSA-N 260.425 4.602 30 10 CJEE C=CCC[C@@H](CCCCC(F)(F)C(F)(F)F)NCC 2342336092 UAFLNZVHOFKGIM-NSHDSACASA-N 287.316 4.689 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1cccc(C(C)C)c1 2343604836 ZPYNEBBQYKBKOL-QZTJIDSGSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(F)ccc1F 2344343015 MVONYFNAUSTWFL-CVEARBPZSA-N 267.363 4.608 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC2(C1)CC21CC1)NC 2344386740 YPEGSMSYNRTCTM-LPMVOBIJSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(F)cc(C(F)F)c1 2344475796 IMCHWHVZMOPGBF-ZFWWWQNUSA-N 272.310 4.789 30 10 CJEE Cc1sccc1Oc1ccc(C#N)c(C(F)(F)F)c1 2352240961 OEDBYXOIWHWZEW-UHFFFAOYSA-N 283.274 4.739 30 10 CJEE Cc1c(Cl)ccc([C@](C)(N)C#C[C@H]2CC2(C)C)c1Cl 2353218425 MLUJBKUIFWWIAF-MEDUHNTESA-N 296.241 4.525 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H](C2CC2)O1 2358947793 HGBUETMJLVAEMG-BPQIPLTHSA-N 281.484 4.673 30 10 CJEE C=C[C@@H](C)N(C)c1ccc(C)c(Cl)c1CN[C@@H](C)CC 2360535443 KQQVDTWNPFVKBS-UONOGXRCSA-N 294.870 4.547 30 10 CJEE CCCCCCCNC1=CC(=O)C[C@@H](c2ccccc2)C1 8683150 YQTNHZMIGYHPRP-KRWDZBQOSA-N 285.431 4.577 30 10 CJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nc2c(N)cccc21 36285223 AWAHHMRSVKLQNB-UHFFFAOYSA-N 297.789 4.515 30 10 CJEE C[C@@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 36921049 WPUWTGGZYHIVRL-JLSDUUJJSA-N 284.447 4.814 30 10 CJEE CCCc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 36974602 SEJYISOVTUXWDC-AWEZNQCLSA-N 264.372 4.684 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)CCC1CCCCC1 37344250 BKPXWFDOGMULTB-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cccc(C(F)(F)F)c1 37970191 VEFKMDVYANWYGB-OAHLLOKOSA-N 296.336 4.582 30 10 CJEE CCCN[C@@](C)(C#N)CCCCSc1ccccc1C 45365957 SCWPDXWKDIYXQV-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE O=C(C1=CCCCC1)c1c(Cl)cccc1Cl 50324785 FYLFMFSMDFYMLS-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccccc1C(F)(F)F 54823203 GALISXLSORRBKI-DGCLKSJQSA-N 282.309 4.590 30 10 CJEE N#C[C@H](Cc1cccc(F)c1)c1ccc(Cl)cc1Cl 57750156 DHYWRFSTFXLTPN-NSHDSACASA-N 294.156 4.982 30 10 CJEE CCCCCCCOc1ccccc1[C@H](CC)NC 59178910 YZQNWTWKGFKBKQ-INIZCTEOSA-N 263.425 4.706 30 10 CJEE CCN(CC)c1ccc(/C=N/c2ccc(C)c(C)c2)cc1 59514093 XGXFUDFKRCGSPQ-XSFVSMFZSA-N 280.415 4.900 30 10 CJEE CCOc1ccc(/N=C/c2ccc(SC)cc2)cc1 59518826 IMBPIORJJMYDPE-SFQUDFHCSA-N 271.385 4.558 30 10 CJEE CCCCC[C@@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 61892315 JVMYFLHDHRNHTE-KZNAEPCWSA-N 270.420 4.590 30 10 CJEE C[C@H](C#N)[C@H]1CCCC[C@@H]1c1ccc(Br)cc1 62707332 BAHXXGNZCKDCPE-KCPJHIHWSA-N 292.220 4.883 30 10 CJEE CCc1sc(-c2ccccc2OC(C)C)cc1C#N 77096870 FQNAWXZOMNLUPQ-UHFFFAOYSA-N 271.385 4.636 30 10 CJEE N#Cc1ccccc1N(Cc1ccccc1)Cc1ccccc1 84858400 PKMKUBRWQMJUDN-UHFFFAOYSA-N 298.389 4.765 30 10 CJEE CC[C@H](C)CN(CC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 93250935 URYWTVVJSRDEMN-YLFCFFPRSA-N 278.484 4.709 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@H](CS)C(C)C 94583222 KZFOWFAJIIFPOE-UONOGXRCSA-N 266.450 4.781 30 10 CJEE Cc1ccc(SC2(C#N)CC3(CCCC3)C2)cc1 97331458 YIZLDAXMDOCHGC-UHFFFAOYSA-N 257.402 4.704 30 10 CJEE C#CCCC[C@H](Cc1cccc2ccccc12)NCCC 97390022 NREWDLTXKMMHRR-LJQANCHMSA-N 279.427 4.554 30 10 CJEE CCCCCCc1nc2cc(C#N)ccc2n1C(C)(C)C 97471689 KZAVBCROGBFZTC-UHFFFAOYSA-N 283.419 4.786 30 10 CJEE CCOc1c(C)cc(Cl)c(C)c1[C@@H](C)CCC#N 107650249 QLBOMIIHBCRCLJ-JTQLQIEISA-N 265.784 4.763 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)cc(Cl)c1OC 107655017 AQBFIHPEUCPWFD-SECBINFHSA-N 257.160 4.519 30 10 CJEE CCCCCCCCCCN1CC[C@@](CCC)(C(=O)O)C1 109069649 OCHWXIRVBRLFPO-GOSISDBHSA-N 297.483 4.704 30 10 CJEE Cc1cccc(CC[C@H](C)Nc2cc(Cl)ccc2C#N)c1 109788076 OPECWNPEEPQQMO-AWEZNQCLSA-N 298.817 4.953 30 10 CJEE C=CCSc1ccccc1N[C@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2 109900766 ARNCPXDQJBXNIF-UGUYLWEFSA-N 285.456 4.977 30 10 CJEE Cc1ccc(C)c(Oc2ccc(Cl)cc2C#N)c1 110260912 SLJHXAACPCXEGI-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(Cl)cc2Cl)c1 110261050 XFFVFIGAOMPJSI-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(OC)c1 110462758 KQHBYWPTPOWSOH-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cc[nH]c1 115064752 DBYIYWACJYMOOT-MRXNPFEDSA-N 251.414 4.969 30 10 CJEE CCCCCCCCCCn1cccc1C[C@@H](N)CC 117597713 DRONBESTHJXLLE-KRWDZBQOSA-N 278.484 4.909 30 10 CJEE N#C[C@]1(Cc2cccc(F)c2Cl)CCCc2ccccc21 123380986 TXQLAORSUBSLEK-GOSISDBHSA-N 299.776 4.819 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(Cl)cn1 125109380 HSUHBCGATYCUJL-CQSZACIVSA-N 268.832 4.746 30 10 CJEE CCCCCCCCOCc1ccc([C@H](C)CN)cc1 125766036 KKWSRZWYDPDXHT-MRXNPFEDSA-N 277.452 4.626 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1ccccc1)c1cccs1 130523274 ONISQRVBBLFVTF-PBHICJAKSA-N 271.429 4.782 30 10 CJEE Cc1cc(Oc2c(C)cc(Cl)cc2C)ccc1C#N 133493295 NCNJVFVQZUWWRI-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCC[C@@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C(C)C 155838626 CTRMQJADQGNAGV-CHWSQXEVSA-N 292.448 4.515 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](CC)OCC 159784106 ZLMDTUKMPAUTHM-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](C)NCCCOCCCC 160231298 FDZLXBZYSXRICY-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)s1)NC 160958725 JVUQGLIEAOWZCQ-LBPRGKRZSA-N 273.873 4.893 30 10 CJEE CCCCCC[C@H](C)OCc1cc(F)cc(C#N)c1 163721535 RUBCXMVPOVUJEO-ZDUSSCGKSA-N 263.356 4.573 30 10 CJEE C=C(C)CCNc1cccc(Oc2ccccc2)c1 164422996 OZYJJUOAGVNFPU-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)NC2CCCCCC2)s1 166135659 OWFVDXZJUMCIMN-CQSZACIVSA-N 290.476 4.923 30 10 CJEE CCCCCCC[C@@H](C)NC[C@]1(N(C)C)CCC[C@@H](C)C1 218128097 ZBVCWCGLRRYWDY-QRVBRYPASA-N 296.543 4.836 30 10 CJEE CCCC[C@@H](CCC)N[C@H](C)c1cccc(C#N)c1 225978045 LBHDFXJJASVJST-RHSMWYFYSA-N 258.409 4.568 30 10 CJEE CCCCCCCCCC(=O)[C@@H](CCC)OCC 227398156 JKBCHVFDXKFKNW-MRXNPFEDSA-N 256.430 4.901 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cncc(OCC)c1 229107785 GBLHHLJJSGONKK-GOSISDBHSA-N 292.467 4.882 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NC)c2cc(F)ccc2O1 229146820 KCNLVYAZPOSNNS-ZBFHGGJFSA-N 279.399 4.598 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C)c(F)cc1F 229753284 OKPOXOYUELBKKF-INIZCTEOSA-N 267.363 4.670 30 10 CJEE CCCC(C)(C)Nc1ccc(C#N)c2ccccc12 232914116 DJVATYRUFCBGRH-UHFFFAOYSA-N 252.361 4.702 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)CC[C@@H](C)C1 232937420 SCGYWUXYLMISFC-IXDOHACOSA-N 265.441 4.818 30 10 CJEE CCCCCCCCC[C@@H](O)C1(CN)CCC(C)CC1 232942254 OKFIAUVWQGOCMG-LXPRWKDFSA-N 283.500 4.643 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCCC(C)C)C1 233300632 PGRJTSCRDCNULI-ILXRZTDVSA-N 253.455 4.874 30 10 CJEE C=CCCCCCNc1ccc(OCC)c(OCC)c1 233788660 OKKSIGJPJFQTEL-UHFFFAOYSA-N 277.408 4.642 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Cl)cc1C 235748841 PGHOJQKVAJGTAV-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE N#Cc1ccc(Sc2ncccc2Cl)c2ccccc12 236040267 DDJGDIXAQAJKTA-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1CCCC[C@@H]1C(F)(F)F 236536699 RWLYIMCOZICROP-IHRRRGAJSA-N 278.358 4.853 30 10 CJEE N#Cc1c(N)ccc(-c2cccc3ccccc23)c1Cl 247636277 DOVCKSSYKMOTAU-UHFFFAOYSA-N 278.742 4.614 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@H]1NCC 250824934 NDSYHOCKWGGVOJ-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1[C@H]2CCC[C@H]21 253050519 UJDZVEBEQJFEFB-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE CCCCC[S@](=O)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 300447726 BVBQLKRQUVJSAG-MFCZKXCZSA-N 297.508 4.670 30 10 CJEE C=C([C@H](NCCC)[C@H](CCC)CC(C)C)C(F)(F)F 308041549 BOHQLBPOUAOYEK-KGLIPLIRSA-N 279.390 4.936 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H](C)c2ccccc21 311448828 RMYJZAZAVJUMQF-YJBOKZPZSA-N 257.421 4.961 30 10 CJEE CCCCCCCCn1cnc2c1C[C@@H](C)[C@H](C)C2 311770911 XCTZYWWYDIMMNH-HUUCEWRRSA-N 262.441 4.614 30 10 CJEE CCCCCCCCC[C@@]1(C(=O)O)CC=CCC1 314925136 LASREOFXDFSHTO-MRXNPFEDSA-N 252.398 4.938 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CSc2ccccc21 316839215 SPQSXCZCWRFCEW-CKEIUWERSA-N 274.429 4.661 30 10 CJEE C[C@H]1CCC[C@](C=O)(CCc2ccc(Cl)cc2)C1 317400030 LCKQVHQMITWWLI-BBRMVZONSA-N 264.796 4.668 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccccc1C(F)(F)F 384988537 KIXFWXSMSSHTCZ-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE Cc1ccc([C@H](C)N(C)[C@H](CC#N)c2ccccc2)s1 387431782 QGARSJPZBPLVLQ-GOEBONIOSA-N 284.428 4.704 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)cc1C 387472309 SWBCOBSSWBPJHL-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](O)[C@@H](CC)C1 400284502 KRXMXBQCYJUTIR-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE C=C(C)CON[C@@H](CC)c1ccc(Cl)c(Cl)c1 400894088 CPJTUWUJQQQEDC-ZDUSSCGKSA-N 274.191 4.542 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](C#N)Nc1cccc(Cl)c1 401730450 CMEXJZLAXFIWHC-WQVCFCJDSA-N 276.811 4.860 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C)cc2Cl)C1 404562823 VHAVILJIBLKWPG-COXVUDFISA-N 291.822 4.792 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCC1CC=CC1 529081397 OBGXSPRNCWFUHQ-UHFFFAOYSA-N 298.430 4.626 30 10 CJEE CC(C)[C@@H]1CCCCC/C1=C\B1OC(C)(C)C(C)(C)O1 575598176 RLPIADVEDWSKIZ-ZQHYZAEZSA-N 278.245 4.781 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1ccccc1CCC(C)C 591506067 KXBHBQROHYROLP-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 686693633 FKSPSNOFXUVZBC-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@H](NC)c1scc(C)c1Cl 686697272 KKIUXOSGHWRGOH-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)([C@@H]2C[C@H]3CC[C@H]2C3)C1 688007649 QKGUDTSKEZZWKR-SOUVJXGZSA-N 262.437 4.844 30 10 CJEE CCc1ccc(N=C2N[C@](C)(C(C)C)CS2)cc1Cl 691295605 ZSHITGMMOBZWSR-HNNXBMFYSA-N 296.867 4.641 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@@H]1CCC12CCCCC2 694286585 OZPBFZXITARJLA-MRXNPFEDSA-N 276.468 4.751 30 10 CJEE C=CCCC[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 695031793 INGCEGDWGHSNRU-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(N)c(F)c1 695318683 RRISAWDPYLZEDB-INIZCTEOSA-N 267.388 4.582 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(CC(C)C)cc1)C(C)(C)C 702248832 ZWJOOIXWTJKEOF-YJBOKZPZSA-N 271.448 4.584 30 10 CJEE C[C@@H](CCS)CCN(C)Cc1cc2cscc2s1 703257196 NOPFJOMLXVDSMR-LLVKDONJSA-N 299.530 4.741 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H]1C[C@@H](O)C1 703644891 CIPRZKBWOBAQNO-HDICACEKSA-N 283.500 4.610 30 10 CJEE C=CCCC(C)(C)CN[C@H](CCC)C1CCCC1 704006585 VDNLPMFCWXDEHF-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](O)CC1C[C@@H]2C[C@H]2C1 704610721 IPQPHEQLQUIZEX-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2c(F)ccc(F)c2Cl)c1 705780636 ZWENYSPERKSLAU-ZDUSSCGKSA-N 292.716 4.603 30 10 CJEE C=CCCC(C)(C)CNc1ncc(Cl)cc1Cl 707743814 QGZJXUDSZFZXKB-UHFFFAOYSA-N 273.207 4.793 30 10 CJEE CC[C@@H](C)CC/N=C1/NC2(CCCCCCC2)CS1 713195650 SMSZZTDEJIGNQE-CQSZACIVSA-N 282.497 4.598 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cc(C)co1 718446395 VHRIGJSRUMQWSM-OAHLLOKOSA-N 266.429 4.623 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)C[C@H]2CC[C@H]1C2 719627784 WUBPXJSTHAENOC-BVBHFADKSA-N 283.415 4.559 30 10 CJEE CCCCCCCC[C@]1(N)CCO[C@@H](C(C)(C)C)C1 721504480 MPJWAJNWSCBVJN-WBVHZDCISA-N 269.473 4.660 30 10 CJEE C[C@@H]1O[C@H](C)C[C@]1(C#N)CCc1cc(Cl)cc(Cl)c1 722123575 JVGCKYYIPJLCOZ-ZETOZRRWSA-N 298.213 4.633 30 10 CJEE C=C1CCC(CN[C@@H]2CCCC23CCCCC3)CC1 724567451 XXJVVGPJWPDTHA-QGZVFWFLSA-N 261.453 4.825 30 10 CJEE C=C1CCC(C[C@@H](CSc2cccc(C)c2)NC)CC1 724575660 PCKXORUJNYKTAO-KRWDZBQOSA-N 289.488 4.812 30 10 CJEE N#Cc1cc2sccc2c(S)c1SC(F)(F)F 725291876 FJHRXZKFYIVWRQ-UHFFFAOYSA-N 291.344 4.674 30 10 CJEE C=CCC[C@@H](NCc1cscn1)c1cccc(Cl)c1 903087419 UAJJUDAWGNANQK-OAHLLOKOSA-N 292.835 4.594 30 10 CJEE Cc1cc(C)c(N=Cc2c[nH]c3ccccc23)c(C)c1 1083942036 YSQWTDRUWNGYMH-UHFFFAOYSA-N 262.356 4.844 30 10 CJEE Clc1cccc(C=Nc2ccccc2)c1Cl 1084568875 UVWZIICKRPYGFE-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](CCC)C1CCCC1)c1ccccc1 1129637710 IDFPOUPHPCEINV-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C=CCC1(NC(=O)/C(C)=C\C2CCC(C)CC2)CCCC1 1131040289 DZYJQMCQROPZDW-PEZBUJJGSA-N 289.463 4.764 30 10 CJEE C=CCC[C@@H](C(=O)N1C[C@H](CC)CC[C@H]1C)c1ccccc1 1131060824 IWXOCKIGBLLRQN-ZHALLVOQSA-N 299.458 4.774 30 10 CJEE C=CCC[C@H](NCCSC(C)(C)C)c1ccccc1 1168656219 APQDUYJFOIPHMU-INIZCTEOSA-N 277.477 4.815 30 10 CJEE C=C(CC)CN1CCC[C@]1(C)Cc1ccccc1Cl 1171900525 MRXGJQGBRLBYME-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE C=CC[C@@H]1CCN1C(=O)[C@H](CCC)CC1CCCCC1 1180063909 QVZIMFNIUSJHSC-IAGOWNOFSA-N 277.452 4.550 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCCc1ccc(C)c(C)c1 1206263291 KGZRTLSXMWJWRX-NRFANRHFSA-N 293.454 4.623 30 10 CJEE C#CCC1(C(=O)Nc2cccc3ccccc23)CCCCC1 1264100152 DGKPYSYJJGAPGW-UHFFFAOYSA-N 291.394 4.752 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@@H](C)CC)cc1 1280275515 IPRYUYCDCGGSBI-JCGIZDLHSA-N 283.415 4.523 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCCC12CCCCCC2 1289816437 IMSVDEGQZBSLCO-INIZCTEOSA-N 277.452 4.694 30 10 CJEE C=C(C)[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 1307698044 LBCUGEZISLNQHI-OVAAFMSASA-N 291.385 4.608 30 10 CJEE C#Cc1cccc(NCc2ccc(-c3ccccc3)o2)c1 1308346090 BWQQTVMIYHNCPF-UHFFFAOYSA-N 273.335 4.540 30 10 CJEE C=CCN(C/C=C/c1c(C)cc(C)cc1C)C(C)C 1308585838 RCLCKKONTJEZTQ-CMDGGOBGSA-N 257.421 4.521 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@@H](CC)CC1)c1ccccc1 1360114482 MVKNUICXZINSAE-MJGOQNOKSA-N 299.458 4.775 30 10 CJEE C=CCCCCSc1cc2c(cc1Cl)OCCO2 1458944109 GGLXHTULECEODX-UHFFFAOYSA-N 284.808 4.560 30 10 CJEE C=CC[C@H](C)N(CC)Cc1ccc2ccccc2c1 1459349146 LDHNAXIBBYTTKW-HNNXBMFYSA-N 253.389 4.626 30 10 CJEE C=CCCC[C@@H](NCCC(C)(C)C#N)c1ccccc1 1460712688 WLSQQPNRPBRWBW-QGZVFWFLSA-N 270.420 4.613 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(F)c2ccccc12 1462301268 UGRRDPYLMYBHDR-ZIAGYGMSSA-N 271.379 4.984 30 10 CJEE C=CCCC1(CNC(=O)C2=CCCCCC2)CCCC1 1470074450 FAUWZMWTKAYWHM-UHFFFAOYSA-N 275.436 4.520 30 10 CJEE C=C/C=C\CCNC(=O)N[C@@H](CCCC=C)c1ccccc1 1471202938 DZVCJQFYRGOVKV-YEODSOHDSA-N 298.430 4.516 30 10 CJEE CCCCCCCCN1CCc2c(F)ccc(F)c2C1 1473210215 FDQBJOVKTZVLRB-UHFFFAOYSA-N 281.390 4.683 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCCC(C)(C)CC1 1474006687 YOJROWVGNDQFQY-QGZVFWFLSA-N 287.447 4.700 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC(C)(C)C(C)(F)F)c1 1477189155 ZRIBTLOBYGCQTI-UHFFFAOYSA-N 296.361 4.523 30 10 CJEE C=CCCC[C@H](C(=O)Nc1ccccc1)c1ccccc1 1521589730 RNKMQSPQIRQCND-SFHVURJKSA-N 279.383 4.765 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cc2c(ccc3ccccc32)o1 1524815072 FTTOPTXJAVIJKS-AWEZNQCLSA-N 293.366 4.671 30 10 CJEE C=C(C)CCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 1526041947 RWUQGEOSJSYGGS-NSHDSACASA-N 286.293 4.666 30 10 CJEE C=C[C@@H](CC(=O)N(C)C1CCCCCCC1)c1ccccc1 1527927049 JYZNUSPIEXMHAD-KRWDZBQOSA-N 299.458 4.918 30 10 CJEE C=CCCC[C@@H](C(=O)N1CC(C)(C)C[C@@H]1C)c1ccccc1 1529143934 YAIOPLAHVCLSQQ-FUHWJXTLSA-N 299.458 4.774 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccoc2CCC)c1 1539558842 ZWJNCKFBAGAIBA-UHFFFAOYSA-N 269.344 4.518 30 10 CJEE C=CCCCCCCNC(=O)C(C)(C)c1ccccc1C 1539608535 CXHJIPAWCWLNST-UHFFFAOYSA-N 287.447 4.525 30 10 CJEE C=CC[C@@H]1N(Cc2cc(Cl)cs2)CCCC1(C)C 1560793370 NJZDUHQAHQFDBL-AWEZNQCLSA-N 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ZOEPJQHUXSZKLI-QZTJIDSGSA-N 291.479 4.547 30 10 CJEE C#Cc1ccc(CN[C@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 1652497161 MGPRUKCNHPEANM-LSDHHAIUSA-N 297.829 4.603 30 10 CJEE C=CCC(C)(C)CN[C@H](CCC)Cc1ccccc1 1652535647 VACFBDDTOJUBOU-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE C#C[C@H](NC[C@@H]1C(C)=CCC[C@@H]1C)c1ccc(Cl)cc1 1652580761 TVHWALUNVHTKEP-QGTPRVQTSA-N 287.834 4.596 30 10 CJEE C=C/C=C\CCN[C@@H](CCCC=C)c1ccccc1 1654659382 ACIKDJXPPFQODZ-YEODSOHDSA-N 255.405 4.806 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1C[C@H]1c1ccccc1 1658330710 QWWCMUCZKRYTKO-NJYVYQBISA-N 291.438 4.567 30 10 CJEE C=CC(C)(C)CCCN[C@H](CCC)[C@H]1CC1(C)C 1665595366 NHRANAQZPURGQA-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](C)[C@@H]1CCC 1687503521 WJENNTOJBYEYII-CVEARBPZSA-N 294.483 4.589 30 10 CJEE CCC1CCC(CC2(C#N)C[C@H](C)O[C@@H](C)C2)CC1 1878387383 JLHKLPDOSXOTAG-FXQLRMTLSA-N 263.425 4.690 30 10 CJEE CC#CCCCC[C@H](O)C1CCC(C(C)(C)C)CC1 1885234843 BPYUZHXIPQUSFI-JCYILVPMSA-N 264.453 4.784 30 10 CJEE 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CCCCCC#CC[C@@H](N)C[C@H](CC)C(C)(C)C 2083441363 BPRNUDGEQRRCDQ-JKSUJKDBSA-N 251.458 4.750 30 10 CJEE CCCCC#CC[C@H](NC)c1cc(C(F)F)cs1 2083444186 VXYRBYBJUBKZOL-LBPRGKRZSA-N 271.376 4.530 30 10 CJEE CCCCCC#CC[C@H](N)c1cscc1C(F)F 2083453129 MZIPHCCYSSRWNF-ZDUSSCGKSA-N 271.376 4.659 30 10 CJEE C=CCCCCCCCC[C@](C)(N)[C@H]1CCSC1 2086260962 GKMAOHVAQIDZSZ-HOTGVXAUSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCCNC[C@H]1CCC1(C)C 2086277997 CTSFMHXCDHMYLI-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCC[C@H](O)C1C[C@H]2C[C@@H]2C1 2086283577 XZOCIDPPMRIOTK-INMHGKMJSA-N 250.426 4.700 30 10 CJEE C=CC[C@@H](C=C)OC[C@@H](NCCC)c1ccc(Cl)s1 2089276168 YNYJVOQUXYEOHI-CHWSQXEVSA-N 299.867 4.590 30 10 CJEE N#CC1(C[C@H]2C[C@H]3C=C[C@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2089753673 YUJFGJJJGONVPZ-USCDRTNBSA-N 273.445 4.547 30 10 CJEE CCCC[C@H](CC)CN=C1NC[C@H](C(C)(C)C)CS1 2090200274 ZLQXGZKYZPUJFN-KBPBESRZSA-N 284.513 4.558 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1ccc(C)c(Cl)c1 2090885939 AZECTMVHYAEJAF-HNNXBMFYSA-N 282.811 4.553 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)c1csc(C)c1 2091590876 VORDPUWLFXQEBZ-HOTGVXAUSA-N 283.481 4.558 30 10 CJEE CCCCCCCCC[C@H](N)C(C)(C)[C@@H]1CCCO1 2093265795 ZOGVKVRFBOZLPN-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE O=C(CC#CC1CCCCC1)c1ccc(Cl)cc1F 2093449767 FAFUDOOKYWZXHB-UHFFFAOYSA-N 278.754 4.636 30 10 CJEE C=C1CCC(CN[C@@H]2CCCC3(CCCC3)C2)CC1 2095479105 YRLJYAFRZDRTFZ-QGZVFWFLSA-N 261.453 4.825 30 10 CJEE C=CCCCCC[C@H](C[C@@H](CC)COC)NCCC 2096048054 SPMRYCWTOCHQKZ-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CCCCCO2)CC1 2096329700 GJJTVDUFUXMPJK-AQFXKWCLSA-N 263.425 4.692 30 10 CJEE C=CCCSCCN[C@@H]1CCCCCCCC1(F)F 2096527768 CQOXXRBLFJZWOU-CQSZACIVSA-N 291.451 4.634 30 10 CJEE CC[C@H]1NC(=NC2CCCCCCCCC2)S[C@H]1C 2097115025 NGUQPWATZAKROV-DZGCQCFKSA-N 282.497 4.739 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CCCCCO2)CC1 2100881073 SUPUNPYNROZDDJ-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(F)cc1F 2102108649 ZHCMIVCMDZJDBM-LRDDRELGSA-N 267.363 4.608 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@@H]21 2102112173 QRZPDGAGCJJWFC-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@@H](NC)c1ncoc1C(C)(C)C 2104139641 JUBHWBLKQUWPHV-CYBMUJFWSA-N 266.429 4.593 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1NC 2105716015 XQRBRXHLFRBJKZ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CC#CCCC(=O)c1ccc(-c2ccc(F)cc2)s1 2107723647 SLZJIZAWUPOFSZ-UHFFFAOYSA-N 272.344 4.540 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC(C)=C[C@@H](C)C1)[Si](C)(C)C 2107953654 AOXDPACYSRXOHE-COXVUDFISA-N 279.544 4.781 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC2(CCC2)CO1 2110149918 ILTALQLRFQVWRX-INIZCTEOSA-N 266.425 4.655 30 10 CJEE CCCCCCCCCCOC[C@H]1CC[C@@H](C)CN1 2110599451 OMZWWADRNPMCPS-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C#CC(C)(C)CC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2111282451 BSOYRVNOYYWSBK-UHFFFAOYSA-N 288.696 4.591 30 10 CJEE C=C1CCC(C[C@H](N)C[C@H](C(F)F)C(C)(C)C)CC1 2111384872 WVIUBWWOGYFJSA-UONOGXRCSA-N 273.411 4.768 30 10 CJEE C=CC1(C[C@H](NCCC)c2ccsc2OC)CCC1 2111722300 OBVWVKFIJXCMQI-AWEZNQCLSA-N 279.449 4.544 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](CS)CC1CC1 2112871251 LWCDQIHDSYQILN-OCCSQVGLSA-N 297.895 4.679 30 10 CJEE C=CCC[C@@H](C)NCc1csc(C2CCCCC2)n1 2113535599 LEIPCCHMRRARFN-CYBMUJFWSA-N 278.465 4.635 30 10 CJEE C#CCCCC[C@H](NCCC)c1cccc(C)c1Cl 2116841763 DELRZROWPADSCK-INIZCTEOSA-N 277.839 4.883 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2116842156 IMPCVTZEBLRFRL-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE C#CCCCC[C@H](NCC)c1csc2ccccc12 2116846308 ZGFXZMZJTZAFCV-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C#CCCC[C@@]1(CNCCC)CCCCC12CCC2 2116973415 CLWVEQXYWWGOHL-SFHVURJKSA-N 261.453 4.520 30 10 CJEE CC(C)c1ccc(C[C@]2(C#N)CCCC23CC3)cc1 2116986297 FHSXVNNHRSNFSI-SFHVURJKSA-N 253.389 4.827 30 10 CJEE CCCCCCCO[C@@H]1CCC[C@@H](NCCC)[C@H]1C 2119110519 QFFJOYJAPXRUSJ-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE N#Cc1c(Cl)cccc1NCC1(C2CC2)CCCC1 2121305900 CCPLVZMBNRRIGM-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=CCCCC[C@@H](Cc1ccc(Cl)cc1)NCCC 2123080737 POMWBFZBFSFIIZ-KRWDZBQOSA-N 279.855 4.997 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@@H]2CCCC2(F)F)CC1 2125192591 JUKDPYMHYCXNRA-OCCSQVGLSA-N 270.363 4.764 30 10 CJEE C=C1CC(C[C@H](O)[C@H](c2ccccc2)[C@@H](C)CC)C1 2125705613 PXBOZUAPJNGACY-WBAXXEDZSA-N 258.405 4.534 30 10 CJEE C=C1CC(C[C@@H](NCC)c2c(F)ccc(Cl)c2F)C1 2125744080 IGTXXGVOFIOFJF-CYBMUJFWSA-N 285.765 4.625 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CCCC[C@H]1CC)C(F)(F)F 2125766008 OCGZBIIEOZSZEU-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC(C)C 2126088336 UAHYZWPKCRPSFW-GVDBMIGSSA-N 269.448 4.794 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)C1CC2(C1)CC21CC1 2127511639 JZUCCKQEORXYAG-UERKLNTKSA-N 261.453 4.537 30 10 CJEE O=CC1(CCSC2CCCCC2)CCC(F)(F)CC1 2128470868 MWIXAXHEDVPDKK-UHFFFAOYSA-N 290.419 4.837 30 10 CJEE CC[C@H](CCC(C)C)N(C)[C@@H]1CCCCC[C@H]1C#N 2129498048 XUGYHNNGCTUHGO-GVDBMIGSSA-N 264.457 4.605 30 10 CJEE C=CC1(CNCC23CCC(CC2)CC3)CCCCC1 2132983057 JRUSZOQSGAYGIQ-UHFFFAOYSA-N 261.453 4.683 30 10 CJEE 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C=CCCCCCCN1CCCC[C@@H]1c1nccs1 2141920274 UUEKVKUSILBXAW-OAHLLOKOSA-N 278.465 4.807 30 10 CJEE C=CCCCCCCN(C)CC1C[C@@H]2CCC[C@H]2C1 2141921485 KDUPDLMFERXOIP-ROUUACIJSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C)CCC1=O 2142390123 APNQJDWDWWBIPA-INIZCTEOSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CCC[C@@H]1OC 2142444751 XMOBKZBSCSLAOA-DLBZAZTESA-N 267.457 4.580 30 10 CJEE CCC[C@H](C(=O)[C@@H](C#N)c1c(F)cccc1Cl)C(C)C 2144871527 AGGHBCIHOXWLEQ-RYUDHWBXSA-N 295.785 4.728 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)c1ccc(C)cc1Cl 2147673680 ACAOCQBUCOFPTR-IRXDYDNUSA-N 297.870 4.630 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1ccsc1C 2148581698 HHPLLLNZDNKLOD-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@H](N)[C@](O)(CCC)C1CCCC1 2148589158 QSRXRBGZRYGFOO-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](O)(CCC)C(C)(C)C 2148591811 QFNNXVALCIGTIS-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@](C)(O)C(F)F 2148592851 VUPKESCDRBACMN-GDBMZVCRSA-N 293.442 4.511 30 10 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4.739 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(CSC)cc1 2196856664 HNWODYOWHBLTJR-QAPCUYQASA-N 289.488 4.640 30 10 CJEE C=C(c1ccccc1)[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2197138240 UXTOPPPVGSNORL-MKXGPGLRSA-N 269.432 4.634 30 10 CJEE C[C@@H]1O[C@@]2(C[C@]3(C#N)CCCCC34CCC4)CC[C@H]1C2 2198685416 FTTWUZBXMCWIEQ-LAQRGFTBSA-N 273.420 4.588 30 10 CJEE Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C#N 2199331196 BYVXSOOGADIXBD-IIDMSEBBSA-N 268.404 4.638 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@H]1C[C@H]1CCC 2200065434 KDWWPURABYZPOR-CEXWTWQISA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)[C@H]1C[C@H]1C(C)C 2200558012 UHGRANBZDDHWNW-XYJFISCASA-N 282.468 4.739 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@]1(C)CCCC(F)(F)C1 2203786985 IIRLTOOWSFRRCR-CVEARBPZSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@](N)(CC)C1CCC(F)(F)CC1 2203810227 MNEABNCVEAITEY-MRXNPFEDSA-N 285.422 4.893 30 10 CJEE CCCCCC#CC[C@H](NCC)C1CC(=C2CCC2)C1 2203827270 KVYXFONUIPNYFC-IBGZPJMESA-N 273.464 4.829 30 10 CJEE C=CCCCCCC[C@@H](N)c1cnc(N(CC)CC)s1 2206884609 IFQOTHOAEZOPDI-CQSZACIVSA-N 295.496 4.516 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CC(C)(C)OC1(C)C 2206889466 BGEMLJOTJNKECH-HOTGVXAUSA-N 281.484 4.695 30 10 CJEE C=CCCCCCC[C@@H](Cc1ccc(F)cc1)NCC 2206894936 OYQMUZRQCNAOQI-SFHVURJKSA-N 277.427 4.873 30 10 CJEE C=CCCCCCC[C@@H](CC[C@@H]1CCOC1)NCCC 2206895712 WWJCWKVSTFYVBJ-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC(=O)c1cccc(OCCF)c1 2206900075 PRIOQCZSLTZYIG-UHFFFAOYSA-N 278.367 4.744 30 10 CJEE C=CCCCCCC[C@](C)(N)c1cc(F)c(C)cc1F 2206901701 DNGJANDZZHYKAY-KRWDZBQOSA-N 281.390 4.974 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1C[C@H](C)O[C@@H]1C 2207374078 ACGNYEFSZBLFOS-KSZLIROESA-N 281.484 4.648 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@]12CCC[C@@H](C1)OC2 2207395152 CVPLGCQVTKRNAB-KSZLIROESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCNC[C@@H](OC)[C@@H](C)CC 2207424585 GWIFCSDQBDJTFE-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](C)[C@H]1CCCO1 2207436039 LLQPUNJLTYRGIV-FGTMMUONSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1CC2(CC2)C1 2207438388 RHHWVWOQYCRTPF-KRWDZBQOSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCCC[C@H](COCC(F)F)NC 2207440289 CSTLMUZDVBDPKW-OAHLLOKOSA-N 291.426 4.553 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](NCCC)c1cccs1 2207445591 BQNHYHRXRNAGQS-WBVHZDCISA-N 297.508 4.900 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@H](N)C(C)(C)C 2207448025 KHBRVCZIBPQESC-IRXDYDNUSA-N 283.500 4.808 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1cc(Cl)ccc1Cl 2210487645 ANJCXPNSEIFBQR-SKDRFNHKSA-N 256.176 4.893 30 10 CJEE C=CCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 2213522059 BMTMVIAEQHXYLD-ZDUSSCGKSA-N 272.219 4.610 30 10 CJEE CCCCCCCCCOC[C@@H](CS)C1CC1 2216917463 DIOGYZOYVFAOCD-HNNXBMFYSA-N 258.471 4.710 30 10 CJEE C=C[C@H](CCCCC)Oc1ncc(C)cc1Br 2216929738 XRBSVSPODWNCRX-GFCCVEGCSA-N 298.224 4.666 30 10 CJEE C#CCCCCSc1nc(-c2ccccc2)cs1 2218834161 BKZTUHVNIYTVDQ-UHFFFAOYSA-N 273.426 4.706 30 10 CJEE C=CCCCCCCC[C@@H](O)CC1CCSCC1 2220092080 KEGCMCJZSXGYMS-MRXNPFEDSA-N 270.482 4.797 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](F)C1CCC1 2220864021 CWHFQUPBCUXFAR-CVEARBPZSA-N 257.437 4.853 30 10 CJEE CC1(C)CC(C)(C[C@@]2(C#N)CCCC(F)(F)C2)C1 2221088168 LFRBGSCYPRLALZ-AWEZNQCLSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCC[C@@H]1CCN[C@@H](COC)C1 2226245599 FAHKVHOWIWHDFP-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CCCCC1CC1)NN 2227233115 NZMAXHTXXSNBSV-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCC[C@@H](C)NCc1c(F)cccc1F 2227539784 QWKBWIOUTOFJSG-CYBMUJFWSA-N 269.379 4.803 30 10 CJEE C=CCCCCCCCN[C@H]1C[C@H]2CSC[C@H](C2)C1 2228523255 YTOWNEMFWJBLFY-BJWYYQGGSA-N 281.509 4.634 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@@H](NC)[C@H]1C 2230982951 VPOHVHQIPJKRJY-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C#C[C@@H](Nc1ccc(Cl)cc1CC)c1ccccc1 2231791499 KKGMJOKRVSHABX-MRXNPFEDSA-N 269.775 4.689 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccccc1O 2231945767 JMDCTMPXFPDFCB-OAHLLOKOSA-N 263.425 4.621 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)c1cccnc1 2231946760 SEKDEOACQRMYQE-HOTGVXAUSA-N 262.441 4.871 30 10 CJEE CCCCCCCCC[C@H](O)c1c(Cl)c(C)nn1C 2232143580 RKAQFPQWHUILRZ-ZDUSSCGKSA-N 286.847 4.556 30 10 CJEE CN[C@@H](C#CC(C)(C)C)c1ccc(-c2ccccc2)s1 2233782391 NNBNXXFXGBSVHF-HNNXBMFYSA-N 283.440 4.725 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)CC1CCCCC1 2235526397 KKSUOZHJNPUESS-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCOCC[C@H]1CCC 2235532864 OOGDCFYJDOQJDV-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCN1CCc2cc(C)ccc2C1 2235534643 IEAZRWFPMVNLAE-UHFFFAOYSA-N 271.448 4.880 30 10 CJEE CC(C)(C)C#CCCNC[C@H]1C[C@@H]1C1CCCCCC1 2239115577 OTJBKMYGVITKJP-QZTJIDSGSA-N 275.480 4.622 30 10 CJEE CCCCCCCCCOc1cc(C)nc(C)c1C#N 2239449201 NFUFPNBAOYZWRT-UHFFFAOYSA-N 274.408 4.700 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(N)C#Cc1cccc(Cl)c1 2239474345 UCDWXXJMAGZDMF-ZWKOTPCHSA-N 289.850 4.625 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CN[C@H](C)CC)C(C)(C)C 2239488786 CIGFDEMZPRXPIZ-ZACQAIPSSA-N 283.500 4.941 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@H]1CC(C)(C)OC1(C)C 2240166415 BLCABHJCFRPRIZ-DAYGRLMNSA-N 281.484 4.551 30 10 CJEE N#C[C@]1(Cc2ccc(C3CCC3)cc2)CCCC12CC2 2240375190 SWPISJGBXLNBNN-LJQANCHMSA-N 265.400 4.971 30 10 CJEE CCCCCCCC[C@]1(C)CCC[C@H](CNC2CC2)O1 2240622455 TXIZRXWVMZPMJE-QZTJIDSGSA-N 281.484 4.817 30 10 CJEE C/C=C/CCC[C@H](NC)[C@](C)(O)CCCCCCCC 2240637170 FWMXMVSTOIUEAF-JFDVKVQISA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C1C(C)(C)C1(C)C 2240638241 RQUMCQVYXQEGEP-SFHVURJKSA-N 282.468 4.739 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@](C)(F)C1 2240645947 ZYBHIGGKNRPNIE-XIRDDKMYSA-N 286.431 4.585 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]1(O)CCCC1(C)C 2240659028 ZPOVWZCDVBRNSW-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CC1(C)CCC1)NC 2240667097 SNIXSKVDYRMOAR-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(Cl)cs1 2244653926 DFJIEGFRFCTYJK-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE C=C(C)CCCC[C@H](CCSCC)NCCC 2250182070 VJFPLSCORSTCKV-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1cc(C)cc(Cl)c1 2250896757 HODVYIAEYZIPCF-WCQYABFASA-N 251.801 4.511 30 10 CJEE C=C1CC([C@H](NCC)c2cc3sccc3s2)C1 2252873319 CUXKYEFYKKCPLK-AWEZNQCLSA-N 263.431 4.580 30 10 CJEE C=CCC[C@H](C)C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 2253835542 LTYMRPBIADKPLI-SRVKXCTJSA-N 262.315 4.527 30 10 CJEE CCCCCCCCC(=O)OC(C(C)C)C(C)C 2258289596 GJAHOMNPFMEMCS-UHFFFAOYSA-N 256.430 4.961 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(C)CC(F)(F)C1 2259209864 DZFQJFHZLNMLAP-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@]1(CNC)CCCCC1(C)C 2259231635 MUFCDNYGPSRUCP-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@@](C)(O)C#CC1CCCCC1 2261048806 JUPCPVWFMVTMNF-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE CCCCC#CC[C@H](C[C@@H]1CCCC12CC2)NCC 2266579671 WKCZUYQFXFYACL-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC(C)(C)C#CC=CCC[C@H](O)CC1CCCCC1 2268786893 RLCDNYWJDQISKF-KRWDZBQOSA-N 262.437 4.704 30 10 CJEE Cc1ccc([C@H](O)CC=CC#CC(C)(C)C)cc1Cl 2268822323 HOEAXDPBLPWYDU-MRXNPFEDSA-N 276.807 4.678 30 10 CJEE C[C@H](CC1CCCCC1)NCC=CC#CC(C)(C)C 2268837836 YRPZZDZKATUNSY-MRXNPFEDSA-N 261.453 4.541 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C=CCC(C)(C)[C@H](NCC)[C@@H]1CCCC[C@@H]1CC 2321146175 WQNZEEVINBFIQR-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@](C)(N)C[C@](C)(F)C(C)(C)F 2328067217 NHISBAPMQLMWMX-GJZGRUSLSA-N 263.416 4.931 30 10 CJEE CCCCCCCCC[C@@H](CC1(C)OCCO1)NCCC 2328089495 XBMCOCBQLAHJMI-KRWDZBQOSA-N 299.499 4.648 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CC[C@@H]1NCC)CC2 2335099119 RWEGGSKGKSOGEJ-JKSUJKDBSA-N 279.493 4.551 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2338794900 IBXAVLNJYHQOCX-RCCFBDPRSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCOCC(=O)[C@@H]1CC1(C)C 2340885190 ZSSPVBKDUYSTFF-HNNXBMFYSA-N 268.441 4.759 30 10 CJEE C=C(c1ccccc1)[C@H](CCC[C@@H]1C[C@@H]1C)NCC 2341498206 SZSFZPVBKNPFBF-QGTPRVQTSA-N 257.421 4.504 30 10 CJEE C=CCC(C)(C)[C@H](CC=CC#CC(C)(C)C)NCC 2344340505 SBFSAVUXLPXQDU-INIZCTEOSA-N 261.453 4.563 30 10 CJEE C=CC[C@@H](C)C(=O)Cc1c(C)c(C)c(C)c(C)c1C 2344385378 PBKQBLNZZPZVBR-LLVKDONJSA-N 258.405 4.553 30 10 CJEE C[C@@H]1CCC[C@H](CN(C)C[C@@](C)(CS)C(C)(C)C)C1 2352167449 FRBQETYENPMBQH-VYDXJSESSA-N 285.541 4.727 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CC[C@H](COC)C1 2359661658 IZAAXZVTQMGGAK-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@]2(C)CO[C@@H]1C2 2360180171 TWIIMQVPQWSZDR-WNRNVDISSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2CCCCC[C@@H]2C[C@H]1NC 2360342821 IRNCPIYKBBBMKT-SPUZQDLCSA-N 293.520 4.797 30 10 CJEE CCCCC#C[C@H](C[C@H](OCC)c1ccccc1)OCC 5308174 QZNDRLMMDWHQBL-MOPGFXCFSA-N 288.431 4.753 30 10 CJEE C/C(=N/Nc1ccc(C(F)(F)F)cc1)c1cccs1 33770320 HXPLNOUROZQTPS-MFOYZWKCSA-N 284.306 4.603 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 37936780 ISUJUWMSDZWWJU-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE CCc1ccccc1[C@H](C#N)Nc1cccc(Cl)c1 52204031 FSFPKFHMDNCNMM-INIZCTEOSA-N 270.763 4.579 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1csc2ccccc12 54464765 OCMDQCDCCPNWRW-OAHLLOKOSA-N 282.343 4.717 30 10 CJEE CCCCCCCCOC[C@H](N)c1c(C)cc(C)cc1C 59083640 JLIPPKSJZPEJKV-SFHVURJKSA-N 291.479 4.989 30 10 CJEE CCCCCCCOCC(=O)c1cc(C)sc1C 59526051 DIVOPTNEIVSQEO-UHFFFAOYSA-N 268.422 4.535 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc2ncccc2c1 62790091 PMPBIWYLQFNAJJ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCc1ccc([C@@H](C)Nc2cccc(Cl)c2C#N)cc1 70138463 ODPMCXNDSBFYIG-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 71110545 QFVFAKNJUHSVNK-DGCLKSJQSA-N 296.336 4.958 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 71159628 OWHZMAXNBUDFAV-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE C=CCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 71276980 WUAPRHJEPQPPQH-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE CCCCCn1c(CS)nc2cc(C(C)C)ccc21 74297421 HXVYWODUADVUAN-UHFFFAOYSA-N 276.449 4.780 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2cc(Cl)c(C)n2)C1 80011092 BFAISNVMRLCVKD-UMVBOHGHSA-N 293.842 4.762 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(F)cc1Cl 83798832 OJFUZIZFHMOAOJ-VIFPVBQESA-N 292.716 4.663 30 10 CJEE N#CC1(Cc2cc(F)ccc2Br)CCCCC1 87929897 KGICGAUJWQTKMH-UHFFFAOYSA-N 296.183 4.605 30 10 CJEE CCCCCCC[C@@H](C)NCC(C1CC1)C1CC1 91328421 NHSZACPXXMBXFQ-CQSZACIVSA-N 251.458 4.761 30 10 CJEE CC(C)c1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 93492075 QWVJABCZBDZCLT-ZDUSSCGKSA-N 284.428 4.594 30 10 CJEE C=C(CC)C[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547217 RXSKQBDAUIUVKZ-NNCLKIPCSA-N 261.453 4.667 30 10 CJEE CCCN(CCC)CC(CS)(CCC)CCC 94578136 UBFYRPQNBNHGDH-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE N#CC[C@@H](Sc1cccc(F)c1)c1ccccc1 94623173 AICDXARBPOLMAF-OAHLLOKOSA-N 257.333 4.573 30 10 CJEE CCCCCCCn1c(CS)nc2cc(CC)ccc21 105502595 QEBXUBPCAMWFBM-UHFFFAOYSA-N 290.476 4.999 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1c(Cl)cccc1Cl 107501867 NJHCZFIVSYMQGP-YGOYTEALSA-N 259.176 4.664 30 10 CJEE CCCCCCCC[C@@H](O)CCOc1ccccc1 109712234 IOTLKFCZZCWKRG-MRXNPFEDSA-N 264.409 4.567 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1O 110022447 CKOIMAWZQAQUQU-IKGGRYGDSA-N 284.484 4.939 30 10 CJEE CCCCCCCO[C@@H](CC)[C@@H](CCC)NCC 110081373 NHSFETMUWIBEPQ-CVEARBPZSA-N 257.462 4.530 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H](C)c2ccc(Cl)cc2)c1 110258409 NUQHXGVQELCYED-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE Cc1cccc(Oc2ccc(C#N)cc2Cl)c1C 110260675 PJEGQDOCNJWSNK-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCOc1ccc(CO)cc1Cl 110369642 KPLCUCADTNIHNZ-UHFFFAOYSA-N 270.800 4.572 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)C[C@@H]1CN 111679698 QLNZGLVWIQWREF-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CCCCCCCN1CC2(CCCCC2)NC[C@H]1CCC 114069151 WKCXMKIWQHODOE-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@@]1(CN)CCc2ccccc2C1 115840410 ACVQQZRPRHSDIB-LJQANCHMSA-N 273.464 4.871 30 10 CJEE CCCCCCC[C@H](NCCC)C1(N(C)C)CCCC1 118174647 MKKRPYAROKBKAO-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](CO)c1ccc(Cl)cc1 118656331 UNHOCOHJQVYTMJ-AWEZNQCLSA-N 254.801 4.776 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(C)c(C)c1)NN 126086733 GFXAQYNCDQQKEM-LJQANCHMSA-N 290.495 4.819 30 10 CJEE N#CC1(Nc2ccccc2F)CCC2(CCCC2)CC1 129611841 TYBIGRHOWOWNQG-UHFFFAOYSA-N 272.367 4.634 30 10 CJEE Nc1ccc(/C=C/C(=O)c2cc3cccc(Cl)c3o2)cc1 130754034 HUACKHYPGQBVKD-RMKNXTFCSA-N 297.741 4.565 30 10 CJEE CCCC1CCC(Nc2ccc(C#N)c(C)c2)CC1 132644723 OXCNDRQCMVMKBQ-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE CCCCCCCCn1ccc2c1CC(C)(C)C[C@H]2N 147328623 SDYIARRKJWUGJD-MRXNPFEDSA-N 276.468 4.821 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1cccc2ccccc12 158769760 XFMCOTZZISXDIQ-LJQANCHMSA-N 267.416 4.574 30 10 CJEE CCCCCCCCOC(=O)C[C@H](C)c1ccc(N)cc1 164871535 PMLWLHAKPIIQFU-HNNXBMFYSA-N 291.435 4.666 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@]1(C#N)CCC[C@@H](C)C1 165725345 OAGVJUOGJLJAOC-HZPDHXFCSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@@H](NCC)c1ccccc1C(F)(F)F 167684337 HTJPUBULOVTEIB-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C[C@@H](Nc1c(F)cccc1Cl)c1ccc(C#N)cc1 225209958 XIAHHLJZUFAVRA-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCC[C@@H](N)c1cccc2cccnc12 228941673 SAMASJKYAFBJMK-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE CCC[C@@H](NCC(C)(C)CCC#N)c1cccs1 229693398 VWTHLKJRDSVEMK-CYBMUJFWSA-N 264.438 4.509 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCOC2(CCC2)C1 229823556 LNCGTAOVFNKADH-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@H](O)c1cccc(OC)n1 232920759 PXINPWGNQGNSHO-INIZCTEOSA-N 279.424 4.654 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1ccc(C)cc1 232981751 GPIOLHPIBRZXBB-GOSISDBHSA-N 276.468 4.875 30 10 CJEE C=CCCCCCOc1ccccc1[C@@H](C)NCCC 233156417 REJCGNHXOSNKNX-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@@H](NCC)C(CC)(CC)OCC 233600329 BTFWFDCCJGMOEH-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE CCc1cccc(CC)c1NCCCCC(C)(C)C#N 234155988 XSDVNZBCZHVZBK-UHFFFAOYSA-N 272.436 4.943 30 10 CJEE C=CCCC[C@@H](NC)c1cc(Cl)sc1Cl 234443349 XKTOLUFAHRGXEO-SECBINFHSA-N 264.221 4.672 30 10 CJEE Cc1ccc(CNc2cc(C#N)ccc2Cl)c(Cl)c1 235867760 RIJOWKQKRTUETE-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H](C)[C@H]1C 251122265 IJGYHBVXXOUBDT-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)[C@H]1CCCCC[C@@H]1C#N 251514331 JFKXAGZZUPAWIN-UNEWFSDZSA-N 290.838 4.805 30 10 CJEE CCCCCCCC[C@H](NC)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300607387 LOGCMPNSFAFNKH-WOYTXXSLSA-N 263.469 4.617 30 10 CJEE CC(C)C(CNc1ccc(Cl)c(C#N)c1)C(C)C 306079986 CHQGERPFZHIUNL-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)C1 307921638 DVHMMQRSSUTQGI-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCOC[C@@H]1C 312343433 DKLBKTWFOPOQMJ-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)[C@@H]1NCC 312590874 XMUUJNBOTSSNRC-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC[C@@H](C)C2)CC1 317238646 NLUBDHAQEPMJDY-KZYLPZIUSA-N 250.426 4.988 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cc(C)cc(C)c2)C1 317296547 LUJDEXMBSQWWJB-FUHWJXTLSA-N 258.405 4.631 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@H](OCC)C1(C)C 378770094 WMGYJTPIUIEMRE-ZBFHGGJFSA-N 268.441 4.757 30 10 CJEE C[C@@H]1CCC[C@H](C[C@@]2(C#N)CCc3ccccc3C2)C1 380570891 UFVKTSRVHHGWEB-GJYPPUQNSA-N 267.416 4.902 30 10 CJEE C=CCCCCCCN[C@H](C)c1csc(C)c1 381471709 LHMKRSUWWWHLHT-CQSZACIVSA-N 251.439 4.844 30 10 CJEE Cc1cccc(N[C@H](C#N)C2CCCCCCC2)c1 381642139 QMKCSXFVDOHTRU-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE C[C@H]1C[C@](C#N)(Nc2ccccc2Cl)c2ccccc21 383826200 IECCMQUSMNHXPD-YVEFUNNKSA-N 282.774 4.678 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cccc(Cl)c1Cl 393798674 KJSYXGUFCNJVNR-WDEREUQCSA-N 272.219 4.999 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1cccs1 464563655 NLUSLEGMNINCQE-ZDUSSCGKSA-N 285.412 4.956 30 10 CJEE N#Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1Cl 514260857 WNEFUPNTQNIJEE-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE CCC(C)(C)CCNc1ccc(C#N)c2ccccc12 686305983 JBHDDGXQNBYBHD-UHFFFAOYSA-N 266.388 4.950 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@H]1CCCO1 689834225 XPSWLBJLGHNPPJ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC(=O)C(C)(C)C(F)(F)F 690278954 NBIPUBAFEIKGQA-UHFFFAOYSA-N 252.320 4.895 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC(C)(C)C1(C)C 690302907 VLGWMGWWCZRQMT-INIZCTEOSA-N 282.516 4.575 30 10 CJEE Cc1cc(NCc2ccc(F)c(C#N)c2)cc(C)c1Cl 690305481 VINUETXDNJJHQP-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCC1CCC(C#N)(CCOCC2CCC2)CC1 690411649 WCYXYIKPTLHUAY-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE 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C=C(CC)C[C@H](NC)c1cc(Cl)sc1Cl 232856864 DZFHPNYLQGEVKY-VIFPVBQESA-N 264.221 4.672 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cncc(F)c1 232954002 PSAAFLKPUSHFDJ-INIZCTEOSA-N 267.388 4.569 30 10 CJEE CCCCCCCO[C@@H]1[C@H](C)C[C@H](C)C[C@H]1NCCC 250836359 VBCOLJUBUXPMBX-BSDSXHPESA-N 283.500 4.776 30 10 CJEE C[C@@H]1[C@@H](Nc2ccc(C(C)(C)C#N)cc2)CCC[C@H]1C 252221769 ZFCCJWHCEMDMOF-KEYYUXOJSA-N 270.420 4.724 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1[C@H]2CCC[C@H]21 252903088 NWIQWXPTUOCQKJ-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C[C@H](CC=O)c1ccc(C(C(F)(F)F)C(F)(F)F)cc1 258821087 LOOAWYRURCRRCG-MRVPVSSYSA-N 298.226 4.587 30 10 CJEE CC1(C)C[C@]1(C#N)c1ccc(C2CCCCC2)cc1 258933906 BFOCDVCZWNYHFA-SFHVURJKSA-N 253.389 4.926 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CN 300256490 HBEISBYQCOBQDB-BBWFWOEESA-N 251.458 4.914 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@H](C)CC[C@@H]1C 300515199 AVBUCXDFGUIYJP-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 310922402 RKSDHNCLRPZAAN-FZMZJTMJSA-N 263.768 4.559 30 10 CJEE C=C([C@@H](NCC)c1c(Cl)cccc1Cl)C(F)(F)F 310997044 IWLRGWXRACOIDO-LLVKDONJSA-N 298.135 4.763 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CC(F)(F)c2ccccc2)C1 311513571 CRMFUXQAUMKMCF-UKRRQHHQSA-N 263.331 4.889 30 10 CJEE C[C@H]1C[C@@H]([C@@]2(C=O)CCCc3ccccc32)CC[C@H]1C 316426366 LAVBQFANCQFTGR-YEWFCNIMSA-N 270.416 4.532 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1cccc(Cl)c1Cl 317012720 SGFPOJIRCVNSAB-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE O=CC1(Cc2nc3ccccc3s2)CCCCCCC1 317083903 JSWQDOXQBMFWRX-UHFFFAOYSA-N 287.428 4.768 30 10 CJEE N#C[C@H](C(=O)c1csc(Cl)c1)c1ccccc1Cl 378997769 UYSNOGNUIRTTRL-JTQLQIEISA-N 296.178 4.545 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1ccc(C(F)(F)F)cc1 384886969 SHZNVSGCHPRSLX-FZMZJTMJSA-N 267.294 4.578 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1c(Cl)cccc1Cl 385099340 ZKGOTZWYJIJQJL-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE C=CC[C@@H](CCCCCCCCC)CNCCOC 386719068 ZMACTFJJQFQBKP-KRWDZBQOSA-N 269.473 4.555 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)CC2CCCC2)CC1 394548526 ZHPCOPKUWGWOOF-PQUAAJSLSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](O)COCc1ccccc1 395478491 GDWXMRQLOBSUPY-SFHVURJKSA-N 278.436 4.705 30 10 CJEE CCCCCCCCO[C@@H](CNC1CC1)C(C)(C)C 395603237 YRZNJUJCZMBZLI-INIZCTEOSA-N 269.473 4.530 30 10 CJEE Cc1ccc([C@@H](C)N(C)C[C@H](C#N)C2CCCCC2)s1 397209872 WEQBRKXYZAQDEI-ZBFHGGJFSA-N 290.476 4.769 30 10 CJEE CC(C)(C#N)CCOc1cccc(OCc2ccccc2)c1 399144310 YYGMCOMHRBLFFV-UHFFFAOYSA-N 295.382 4.584 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@H](CC)CC(F)(F)F 402575450 QVVRJWJRSUORFK-STQMWFEESA-N 265.363 4.545 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(C)ccc2s1 620303050 HJCJBEVDLMZIPO-GASCZTMLSA-N 297.423 4.533 30 10 CJEE CSc1cccc([C@@H](C#N)Nc2ccc(Cl)cc2)c1 686949501 VLYXYZHSYDRXCS-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@]1(C)CCOC1 687420046 UVEVTGDTWVCKIX-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCOC1)NC 689485072 MPJJICIEZKGXQM-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](O)c1cc(Cl)ccc1N 695684012 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CC[C@@H]1CCC[C@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 711155094 YIZTZIDNRQSSQS-RDTXWAMCSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@@H](N(C)C)C1 715209789 ZWKUCPVLVFVMNA-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE C=CC[C@H](C)C1(CNC(C)C)CCC(C)(C)CC1 715827060 FSNWOFMQFXOWEB-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](NC)C1C[C@@H]2CC[C@H](C1)S2 716040646 SBLUOABLJPMREV-WTXIUTQJSA-N 269.498 4.609 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1NCc1ccc(C#N)cc1Cl 717553182 HFOCVRMDAFHOJM-LRDDRELGSA-N 290.838 4.516 30 10 CJEE CC1(C)CCCCC[C@]1(O)C1(C#N)CCCCCCC1 719374552 JNFPHRXVOTXVEK-GOSISDBHSA-N 277.452 4.962 30 10 CJEE C=C1CCC(C[C@@H](N)C(C)(C)c2ccc(F)cc2)CC1 724568371 SCGVHWUIPSBPGZ-QGZVFWFLSA-N 275.411 4.567 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CC[C@H](CC)CC2)CC1 724603030 QRXUDWVDUJHAPY-KBAYOESNSA-N 263.469 4.927 30 10 CJEE CC(C)Cc1ccc(C#Cc2ccc(Cl)cc2)cc1 725394651 NROTWVVOTCCPDL-UHFFFAOYSA-N 268.787 4.938 30 10 CJEE C=CCCC[C@H](NCc1nc(C)cs1)c1ccccc1 880388126 IGXDYWKXEALGLY-INIZCTEOSA-N 286.444 4.639 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CC1CCC1)c1ccccc1 1127641578 NYSLOSIMNZLZGD-YJBOKZPZSA-N 285.431 4.636 30 10 CJEE C=CC[C@@H](OC(=O)CC)c1ccc(Cl)c(Cl)c1 1128433164 GULWQDFPWRICND-GFCCVEGCSA-N 273.159 4.564 30 10 CJEE C=CCC1(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)CCC1 1141953440 QUYKINSFNGTYOT-MRXNPFEDSA-N 289.463 4.550 30 10 CJEE C=CCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 1167061692 DEZTVMIAPDKNMH-CQSZACIVSA-N 270.203 4.706 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCOc2cccc3ccccc23)C1 1308206945 CQKFSYWQKGWIOU-FUHWJXTLSA-N 295.426 4.553 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(C)c2ccccc2n1C 1308464874 YSWQCIFAZLVRJB-WMZOPIPTSA-N 296.458 4.711 30 10 CJEE C=CCCCN(CC)Cc1ccc(C(F)(F)F)cc1C 1308969799 WLTHHIGJSUVQMJ-UHFFFAOYSA-N 285.353 4.802 30 10 CJEE C=CC1(CC(=O)N(CC)c2cccc(C)c2)CCCCC1 1358345888 RXPRTLBFRSMDMK-UHFFFAOYSA-N 285.431 4.875 30 10 CJEE C=CCC1(CNC(=O)C[C@H](C)C2CCCCC2)CCCC1 1436235035 NIQAHSOFTARREX-INIZCTEOSA-N 291.479 4.846 30 10 CJEE C=CCCC[C@@H](Nc1nc(C)cc(CC)n1)c1ccccc1 1458558356 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C=CCCCCCCCCNC(=O)N1CC(C)(C)C1(C)C 1681691520 FSFZEAUXMJHEGZ-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)N[C@H](C)C(C)(C)CC 1682670122 WHWCLEFLCLWUAF-OAHLLOKOSA-N 294.483 4.589 30 10 CJEE C=CC[C@H](CC)NC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1686285078 NPMXGQKFFGPLRJ-CABCVRRESA-N 294.483 4.587 30 10 CJEE C=C(C)Cn1c(-c2cccc(OCC)c2)nc2ccccc21 1873522121 LIFFONHQBQKBLA-UHFFFAOYSA-N 292.382 4.678 30 10 CJEE CCCCCCCCN1C(=O)CC[C@@H]2CCCC[C@H]21 1883320881 XEBSTXKDSFLPKR-JKSUJKDBSA-N 265.441 4.528 30 10 CJEE CCCCCCCCN1CC(Cc2ccccc2)C1 1883327392 DKGJFBTVXDGZSC-UHFFFAOYSA-N 259.437 4.521 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H](C)CC(F)(F)F 1885228106 LQLLLEGLQGAVCK-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCCCC12CC2 1885244374 JRCHXQNTTJBFLS-SJORKVTESA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@@]1(N)CCCCC12CCCCC2 1885341698 QCWODXXHEQQKRV-GOSISDBHSA-N 261.453 4.792 30 10 CJEE C#C[C@@H](c1ccccc1)N(C)CCCCCCCC 1887067922 IRJJTVSZXRISDP-SFHVURJKSA-N 257.421 4.653 30 10 CJEE 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293.571 4.698 30 10 CJEE CCCCCCCCCC(=O)[C@H](C#N)C1CC(F)(F)C1 2187630971 VVZIZCQPDJVNFJ-CQSZACIVSA-N 285.378 4.881 30 10 CJEE CCCCCCCN[C@H](C)c1ccc2c(c1)C[C@H](C)O2 2190827882 PWSBQQPNSCXJLK-LSDHHAIUSA-N 275.436 4.631 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H](CC)CC(F)(F)F 2196171225 HFWYGHCQJVHSRC-GJZGRUSLSA-N 291.401 4.917 30 10 CJEE CCCCCCCCN(C)c1nc([C@@H](C)NC)c(C)s1 2196717216 TZNNSSBXFIZLIO-CYBMUJFWSA-N 297.512 4.529 30 10 CJEE CCCCCCCCN(C)CCCCC(C)(C)C(=O)O 2196725594 UEJWFWKIICJLJA-UHFFFAOYSA-N 285.472 4.560 30 10 CJEE C#CC[C@H](C)CC1(CNCC)CCC(C(C)(C)C)CC1 2196850168 UBHIUNUDSAOQEU-MUYFXNHWSA-N 277.496 4.868 30 10 CJEE C#CC[C@H](C[C@]1(CNC(C)C)CC[C@@H](CC)C1)C1CC1 2196855652 RVHKBPVETPJLQC-QRQLOZEOSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H]1CCCC(F)(F)C1 2197143199 YIWYYQBQSYCWGQ-JKSUJKDBSA-N 279.374 4.503 30 10 CJEE CC(C)(C)C1CCC(C=O)([C@@H]2C[C@@]2(C)C(F)(F)F)CC1 2199334045 GPGBWKMKQWJXAD-VYKPZMDHSA-N 290.369 4.997 30 10 CJEE CCCCC#CC[C@@](C)(O)c1ccc(C(C)(C)C)cc1 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4.538 30 10 CJEE CCCCN(c1cccc(Cl)c1C#N)[C@@H](C)CC 110256500 JOFARBVGHHRWCT-LBPRGKRZSA-N 264.800 4.617 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCC2(C)C)C1 110265735 IPDZWNVNTLDCHX-HRCADAONSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OC)cc1F 115064695 QHXXBAKWHKWEBR-INIZCTEOSA-N 268.372 4.618 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCNc2ccccc21 122604068 KIPVIOXORHLEOL-INIZCTEOSA-N 273.420 4.906 30 10 CJEE N#Cc1cc(F)c(Nc2cccc(C(F)(F)F)c2)c(F)c1 127419836 GLKVNYIZWYNSGR-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 129251338 MUCUTXSZYSUTIZ-KSZLIROESA-N 295.511 4.920 30 10 CJEE CCCCCCCCCCNC[C@H]1COc2ccccc21 129365762 KOWUPNVDIKCDGU-KRWDZBQOSA-N 289.463 4.893 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccnc(Cl)c1 156104009 XNEQUDMBWPJQPP-CQSZACIVSA-N 269.816 4.909 30 10 CJEE C#CCC[C@H](CCCCCCCCC)NCCC 165973553 NWJVRPLXIOHRRU-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1CNC 169167435 LYBAHGFXEOXJCF-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C=O)cc1 199106175 QOZDNXLODRHTBZ-UHFFFAOYSA-N 275.392 4.578 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](C)CC(=N)N 203484999 OYLGZJNXPKGIKI-MRXNPFEDSA-N 283.504 4.554 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2OC)C1 217534628 RLCHOESOOAGARD-WWGRRREGSA-N 275.417 4.506 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(C(C)(C)C)CC2)C1 222803893 HSLFTHRZBQZEIW-RYRKJORJSA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2nc(C)ccc2c1 228925103 BJZXSLNTEVSGOC-QGZVFWFLSA-N 270.420 4.904 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C(C)(C)C)cc1 229759545 ABNZYQFCVDGOHK-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCCCCCNC[C@H](O)c1ccsc1 231979638 XHSSIMNOFIICMX-INIZCTEOSA-N 283.481 4.512 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@@H]1CC 232916742 GKZYJLRJICKRDK-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccc(Cl)s1 235510991 RCQUCSFJYCOKAB-NSHDSACASA-N 257.830 4.799 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Br)cc1 236549636 LSKCZRLSDSIFEQ-CQSZACIVSA-N 283.209 4.619 30 10 CJEE 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C#CCN(CC1CC(CC(C)(C)C)C1)C1CCCCC1 2289950339 GUPPTURJCJNOCQ-UHFFFAOYSA-N 275.480 4.717 30 10 CJEE C#CC[C@@H](CN(C)[C@@H]1CC(C)(C)CCC1(C)C)C1CC1 2290339731 XJORFXLJHYRPLL-DLBZAZTESA-N 275.480 4.573 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CC[C@H](C)SC1 2292642795 CBGZQLRWCAERDV-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=C(C)CCCC[C@](C)(OCC(=O)O)C1(C)CCCC1 2292707302 JOMWAZAPQJJQNZ-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1CCC)OCCN 2292869188 XRGNGPYAESSERP-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cc(F)ccc1Cl 2292883459 XJVHJMUVKKRGPA-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=C(C(C)(C)C)C1(OCCCN)CCC(CCC)CC1 2293348808 PLUIVIQIXCUWEJ-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCC[C@H](C(C)C)CC1 2293363680 KXBMXJIXUCHVPF-FUHWJXTLSA-N 281.484 4.539 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCC[C@@H]1C(C)C 2293885796 XMKNCTYTJDOFMP-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C(C)(C)CC 2295522743 RFWLGAWPHKWOJZ-SFHVURJKSA-N 284.532 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263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1CC2(CCC2)C1 2344380400 ZPKUVHJONLGINH-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(C2CCCC2)cc1 2344476917 OWXFLPUXRLVECR-KRWDZBQOSA-N 258.405 4.980 30 10 CJEE CC[C@@H](C1CCCC1)N(C)CC1(CS)CC(C)(C)C1 2345007275 YEEMBIFBOPBLCJ-HNNXBMFYSA-N 283.525 4.623 30 10 CJEE C=CCCCS[C@@](C)(C(=O)O)C1CCC(CC)CC1 2352025635 CUBKIBLIKNNHOE-ZBCRRDGASA-N 284.465 4.746 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)C[C@@H](CC)CCC 2353457345 UWTAIEZSILYEFR-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE CSc1cc(O[C@H](C)CCC=C(C)C)ccc1C#N 2353835038 QFMAZVTYLJCDGD-CYBMUJFWSA-N 275.417 4.794 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CC[C@@H]2C[C@@H]2C1 2360095799 QBFSHMRFLAELOP-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE Cc1ccc(F)c([C@H](C#N)Nc2ccccc2F)c1Cl 2360547083 RDOCJPYAYVKHRM-ZDUSSCGKSA-N 292.716 4.603 30 10 CJEE C=CCOc1ccccc1CNc1ccc(C(C)C)cc1 37199940 QYWRLXAFSHEVGK-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1ccc(Cl)c(Cl)c1 37938905 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281.827 4.820 30 10 CJEE CCCCCCCCCCCCN[C@H]1CN2CCC1CC2 110159386 SXNMHEQZWVKAFI-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@H]1CN 111235632 XJPVXBSCMMWHCH-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(C)c(C)c1 112887675 MNEBDQNBAKLINK-GOSISDBHSA-N 262.437 4.957 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(N)c(F)cc1F 115854634 KKTGIVHAIBPVIP-UHFFFAOYSA-N 298.377 4.626 30 10 CJEE CCCCCCC[C@H](NCCC)C(C)(C)N1CCCCC1 118146941 OCUDLLKBOKKYAB-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](OCC)C1CC1 158241097 DHFHIHUVLYUWAM-SJORKVTESA-N 269.473 4.530 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)c(Cl)c1)C(C)C 162263167 CPYJQLXOOIYXMG-AWEZNQCLSA-N 294.870 4.801 30 10 CJEE C=C(C)CC[C@@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 164484917 ITWPKQXZEGQSBF-QGZVFWFLSA-N 274.448 4.861 30 10 CJEE CCCCCCCC(=O)c1c(F)c(F)c(F)c(F)c1F 164716729 LDWURPRADYUVBY-UHFFFAOYSA-N 294.263 4.925 30 10 CJEE N#C[C@@H]1CCC(=C(c2ccccc2)c2ccccc2)C1 196334180 VDQJGJMILFDDNT-OAHLLOKOSA-N 259.352 4.812 30 10 CJEE C#CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)(C)C 212223215 LOXBDFXGFXYMHC-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCOc1ccc(F)cc1CNCCC 222491095 BXLKBBHHGDQSKK-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 228818662 IEJJURYJPOHOSR-LSDHHAIUSA-N 259.437 4.989 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C 228819953 BUQKEDAPADCGTJ-XJKSGUPXSA-N 265.828 4.981 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cccc(Cl)c2Cl)C1 228941106 YQPVHZQOAIOIKR-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](C#N)(NC2CCCCCC2)C1 230779926 HPFCUBWGOGXCCW-FUHWJXTLSA-N 276.468 4.797 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccccc1Br 235511075 BJUVNOLWNLQICI-ZDUSSCGKSA-N 296.252 4.846 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2c(Cl)cccc2Cl)CC1 235614690 FCQUHOAOBYCVNN-SNVBAGLBSA-N 283.198 4.851 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCCc2ccccc21 236315093 RXPCQKDJBNMDQQ-QZTJIDSGSA-N 257.421 4.570 30 10 CJEE CCCCCCCCCC[C@@]1(C#N)C[C@H]2CC[C@H]1O2 250813339 ICKLUMVYKOSGAF-ZACQAIPSSA-N 263.425 4.978 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@H]1CCC 250844175 ZOHVQBXAFUVJIG-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252896268 BFZPAKQONYSULH-NRKLIOEPSA-N 270.457 4.548 30 10 CJEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)O)C1 257515455 PRMYVLHDWLBDQX-MTHXSQLBSA-N 274.448 4.866 30 10 CJEE CC[C@@H](C)c1ccc(NC2CCC(C#N)CC2)cc1 258910807 XDPKFZDSUWEOMV-VQCLRJIVSA-N 256.393 4.694 30 10 CJEE N#Cc1cc(Cl)nc(N[C@@H]2CCCCC23CCCC3)c1 312621293 VCYLJAMCJVFSIJ-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)CCCO1 314808205 BCRJGVXTDGPUKX-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)C[C@H]1CCCc2ccccc21 317073893 ZQYMULUWGVDZHK-KYJSFNMBSA-N 256.389 4.502 30 10 CJEE C=CCCCC1(CNC)CCC(C(C)(C)C)CC1 317287148 YBBNBDMSWHZJCS-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(C)nc(Cl)c2)C1 321302754 MCWYZSVLWJMEBQ-XJKSGUPXSA-N 276.811 4.696 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H](OCC(C)C)C1(C)C 383651785 OFWBSTALUWJXSN-IRXDYDNUSA-N 281.484 4.552 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)ccc1C 388929984 SGJKVPPHPNAXRT-INIZCTEOSA-N 277.839 4.739 30 10 CJEE Fc1cc(SC(F)(F)F)cc(F)c1C(F)F 396115036 VQFIVAMUZXZJMC-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CC(C)CN(C[C@@H](C#N)C1CCCCC1)C1CCCC1 397222650 PTEBAYIYGWLNHL-QGZVFWFLSA-N 276.468 4.607 30 10 CJEE CC[C@@H](NC[C@H](C#N)C1CCCCC1)C1CCCCC1 397295453 JUANSEPGELWARI-ZWKOTPCHSA-N 276.468 4.655 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@@H](C#N)C1CCCC1 397466492 SMWIBGDGFYEFFX-QFBILLFUSA-N 284.447 4.617 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)[C@@H]1CC1(C)C 397820337 KPLMIPDSGFCPLI-GJZGRUSLSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@H]1CCNC1 400337380 HTZXWZBCPZCBLO-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CCCC1CC1 400784946 YGDUDBBYNUVHFX-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C#CCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 686682678 OXUVRHVFGBDDSJ-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)(C)C)CC[C@@H](C)C1 686702163 CLEODOIKEZDJHW-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@]1(CNC(C)(C)C)CC[C@H](C)C1 686702164 CLEODOIKEZDJHW-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE Cc1cc(F)cc(N=C2NC3(CCCCC3)CCS2)c1 687323955 RMZDNHHIBAOSFB-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1F 692203600 HHIIVSLDEVENAC-SWLSCSKDSA-N 281.802 4.704 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cccc(Cl)c1Cl 695865031 QKSFMMIJYKJJGJ-VIFPVBQESA-N 271.191 4.734 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(C)ccc3F)C[C@@H](C1)C2 697308205 FSCKPHHKTBGSGK-YIONKMFJSA-N 259.368 4.681 30 10 CJEE C=CCCCCC[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C 699098723 YHKKTBIHSWOBBH-VYDXJSESSA-N 252.442 4.946 30 10 CJEE CCCCCCCNCc1ccc(C)c(Br)c1 703752650 JACOXGAFNLLFRK-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccccc1Cl 709375863 JLQIKRDPTQZLIP-CJNGLKHVSA-N 263.812 4.565 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](C)[C@H]1CCCCO1 711836701 PSDCTJLLELLGMX-IXDOHACOSA-N 269.473 4.660 30 10 CJEE C[C@@H]1CCCC[C@@H]1C/N=C1/NC2(CCCCCC2)CS1 713217661 YGTHLUXQKONZJF-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CCC[C@H]2CCCC[C@H]21 714466726 PZUVWMKDOZEOJE-TVFCKZIOSA-N 278.484 4.561 30 10 CJEE C=CC[C@@H](C)C(=O)c1c(Cl)cccc1C(F)(F)F 715715978 UCHYXMWKYFPVHC-MRVPVSSYSA-N 276.685 4.754 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc2ccccc2o1 715812395 KQUKVRSEDKJJSC-SUMWQHHRSA-N 257.377 4.686 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCCCC1(C)C 719215209 RULGJUUWLJBDMS-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cccs2)CC1 724549480 NHNQMAFVCXFYOM-HNNXBMFYSA-N 263.450 4.925 30 10 CJEE C=C1CCC(C[C@]2(CNC3CC3)CCC[C@H]2C)CC1 724610517 IELXQGWRPUGKAF-QAPCUYQASA-N 261.453 4.681 30 10 CJEE C1CCCC(/N=C2/N[C@H](C3CCCCC3)CCS2)CC1 725103670 GIDMJFSRWPFGAZ-INIZCTEOSA-N 294.508 4.741 30 10 CJEE C#CCCCC(=O)Nc1c(C)cc(Cl)c2ccccc12 759159811 YNQAUANLPVZNAC-UHFFFAOYSA-N 285.774 4.544 30 10 CJEE C#CCCCSCC1CCC(C(F)(F)F)CC1 769847123 UDPLUAGJKCDHCI-UHFFFAOYSA-N 264.356 4.502 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccccc1CC(C)C 1133176783 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C=C(C)COc1cccc(NC(=O)C2(CC)CCCC2)c1 1455923838 BXDFSUHDDDAAOB-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCCCN1CCCCc2c(Br)cccc21 1459813989 MYCSLGUBATZNDK-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE C=CCCC(C)(C)CNC(=O)C/C=C/c1ccc(C)cc1 1462038723 VEBRXWRYYUGZRI-BQYQJAHWSA-N 285.431 4.507 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cccc(C(C)(F)F)c1 1466189471 YKANOCLOXVBBFN-UHFFFAOYSA-N 296.361 4.522 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC/C=C\c1cccc(F)c1 1474207662 AEHKGLFGIVNDER-BTILFOLHSA-N 273.395 4.563 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC(C)(C)C)c(C#N)c1 1474535045 OXEMVCTUJGJRTN-CYBMUJFWSA-N 272.392 4.502 30 10 CJEE C=CC[C@@H]1CCCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 1474618756 BCYNXFBOXXOKTR-MISYRCLQSA-N 283.459 4.785 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](CC)c1cccc(OCC)c1 1514623731 XCZNONKLWXQCMJ-MRXNPFEDSA-N 290.403 4.682 30 10 CJEE C=C1CCC(C(=O)N2CCCC3(CCCCCC3)C2)CC1 1514937283 KBLZTTBGRAAVAP-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE C=CCC[C@H](C(=O)N(C)[C@H]1CCC[C@H](C)C1)c1ccccc1 1526274581 AUAUABHYBFVOJU-WDSOQIARSA-N 299.458 4.774 30 10 CJEE C=CCC1(C(=O)N[C@H](C)C2CCCCC2)CCCCC1 1529665818 IUFQKSMUNRSQMO-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](C)c1ccc(CC)cc1 1532060247 CIDPGGLELGGDNA-INIZCTEOSA-N 287.447 4.605 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 1535874033 GMBRTOYAIZDDLC-SJKOYZFVSA-N 296.357 4.807 30 10 CJEE C=CC[C@H](C)Nc1nc(-c2ccccc2)c2ccccc2n1 1559107164 SOXPWBXBEZZCKZ-AWEZNQCLSA-N 289.382 4.673 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(F)c2ccccc12 1559880993 XODRGIIINWVOOK-ZDUSSCGKSA-N 257.352 4.596 30 10 CJEE C=CCCCC[C@H](C)NCCc1c[nH]c2cc(C)ccc12 1560767766 GVUITGKNCJSYKB-INIZCTEOSA-N 284.447 4.743 30 10 CJEE C#CCCCCCCN1CC2(CCCCC2)[C@@H]1C(C)C 1560878399 VEEKJYQKOVWYMQ-SFHVURJKSA-N 275.480 4.861 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C\CCc2ccccc2)c1 1603447266 STYCOBQZYHSCEV-AUWJEWJLSA-N 291.394 4.847 30 10 CJEE C#CCOc1cc(F)ccc1NCc1cccc(C(C)C)c1 1620822040 RKDXAIUBTNCCFN-UHFFFAOYSA-N 297.373 4.573 30 10 CJEE C#Cc1cccc(CNC/C(C)=C/c2ccc(Cl)cc2)c1 1620970384 KREMWDUNCROKKH-RVDMUPIBSA-N 295.813 4.514 30 10 CJEE C=CCCCCCN1CCCc2c(OC(F)F)cccc21 1645867964 PQJILFATGFIYAC-UHFFFAOYSA-N 295.373 4.787 30 10 CJEE C#Cc1ccc(CN2CCC[C@H]2CC2CCCCC2)cc1 1651917118 VBJQDAABSYBFNQ-FQEVSTJZSA-N 281.443 4.603 30 10 CJEE C=CC[C@H]1N(Cc2cc(F)ccc2F)CCCC1(C)C 1654318625 ZSHLYOFAXTVRHE-MRXNPFEDSA-N 279.374 4.532 30 10 CJEE C=CCCC[C@H](C)NCc1cc2cc(C)c(C)cc2o1 1655985651 SDSXCNAYLVNYJJ-HNNXBMFYSA-N 271.404 4.884 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(SC)s1 1657933948 SVZGZYZLRUKPAP-UHFFFAOYSA-N 269.479 4.552 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(F)c([C@@H](C)O)c1 1658054574 KPOOKWWATLHYPM-UONOGXRCSA-N 279.399 4.816 30 10 CJEE C#Cc1cccc(N[C@H](C)Cc2ccc(F)cc2Cl)c1 1658760099 RJTPMCXRKBWNNC-GFCCVEGCSA-N 287.765 4.504 30 10 CJEE C=C(C)c1cccc(NCc2cccc([N+](=O)[O-])c2C)c1 1663413653 HSRDQXIHORVIPZ-UHFFFAOYSA-N 282.343 4.548 30 10 CJEE CCCC1CCC(C[C@@]2(C#N)CCO[C@H](C)C2)CC1 1878369859 ZOAPETPUIYJKJR-RDHHWEPZSA-N 263.425 4.692 30 10 CJEE 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Cc1cc(C[C@]2(C=O)CCCCC23CCC3)cnc1Cl 2173681415 VHJQGUXCHLXERE-KRWDZBQOSA-N 291.822 4.516 30 10 CJEE O=C[C@]1(C[C@@H]2CCCc3ccccc32)CCCC12CC2 2173685875 RYBFPXLUETVFOY-QFBILLFUSA-N 268.400 4.646 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C(C)(C)C)ccn1 2176179098 JGORXKPATWYJKI-MRXNPFEDSA-N 274.452 4.776 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(O)C(C)(F)F 2178855574 VIETVGMGSYAPST-LSDHHAIUSA-N 293.442 4.511 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@@H]23)c1C#N 2179072179 UFARJKDGOBPQAI-LXZKKBNFSA-N 286.444 4.517 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cn(C(C)C)nc1C 2179679128 KKKKHRMVZLMLHX-QGZVFWFLSA-N 277.456 4.560 30 10 CJEE CC=CCCC[C@H](NCCC)[C@@H](O)CCCCCCC 2179782869 NJBYFHAUFQCFEV-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCC1CC(O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 2180068803 XKNDJNKYIITNLN-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE C=CC[C@@](C)(NCc1[nH]c2ccccc2c1Cl)C(F)F 2182188288 YRMBDMUKYXOHMK-OAHLLOKOSA-N 298.764 4.511 30 10 CJEE N#CC1(c2ccc(C(F)(F)F)cc2)CCC(F)(F)CC1 2184898350 QIXDJXJCWNTTNQ-UHFFFAOYSA-N 289.247 4.676 30 10 CJEE CCc1ccc(C#N)c(NCCC2CCCCCC2)c1 2188847425 VPWBLOVJDLPSGV-UHFFFAOYSA-N 270.420 4.893 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1CC[C@H](CN)CC1 2190175261 GVMWLYZEZHATJN-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)[C@@H](CC)C(C)C 2190490319 TZCMTSNNHHSQLS-OKZBNKHCSA-N 285.516 4.758 30 10 CJEE CCCCCCCCOCc1ccc([C@@H](C)NC)cc1 2190799089 OJISPDDTFADKQW-MRXNPFEDSA-N 277.452 4.844 30 10 CJEE CCCC1CCC(CN=C2NC[C@H]([C@@H](C)CC)S2)CC1 2192878041 ZDRADHIPMOLDPL-SLTXQBBLSA-N 296.524 4.700 30 10 CJEE CCC1CCC(CN(C)C2(C#N)CCC(C)CC2)CC1 2193068163 YBKDKFOQXVXZNB-UHFFFAOYSA-N 276.468 4.607 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@](C)(CC)CC[C@H]1O 2196723996 OUKXZWAKQBADKC-KZNAEPCWSA-N 283.500 4.608 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@]1(C)CC=CCC1 2197156754 ZEGLIJQFPGZWDH-MOPGFXCFSA-N 269.432 4.814 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)[C@H]1C[C@@H]1CCC 2200404972 OWKQLXBHDQOQGM-XLAORIBOSA-N 283.500 4.512 30 10 CJEE CCC[C@H]1C[C@H]1COc1ccc(C#N)c2ccccc12 2200761808 TVLPGHJELNYQFY-ZFWWWQNUSA-N 265.356 4.526 30 10 CJEE CCCCCC#CC[C@@H](CC1CCSCC1)NCCC 2203806098 ANJWBUOIJQXBRC-SFHVURJKSA-N 295.536 4.862 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nnc(C3CCCC3)s2)C1 2204829550 CKAQQZODHABPJH-WBMJQRKESA-N 289.448 4.557 30 10 CJEE C#CC(C)(C)C[C@@H](NC)c1ccc(-c2ccccc2)s1 2206187668 RJJCMISATJTTDL-OAHLLOKOSA-N 283.440 4.725 30 10 CJEE C=CCCCCCCN(Cc1ccco1)C(C)(C)C#N 2206895199 RJUIBFAVFDKNIW-UHFFFAOYSA-N 274.408 4.520 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1c(F)cccc1Cl 2206895840 XYOZVSDBIBNXLQ-MRXNPFEDSA-N 298.785 4.608 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1OCCCC1(C)C)NC 2206899367 XJIDRLCQFNUTQW-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H](C)Oc1cccc(Cl)c1 2206900248 RNEBKBZSNFKURK-WMLDXEAASA-N 296.838 4.995 30 10 CJEE C=CCCCCCC[C@@](C)(N)c1cc(C)ccc1OC 2206903910 VZQSFWVTHKHECE-GOSISDBHSA-N 275.436 4.704 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@](C)(O)[C@@H](C)CC 2207389499 DNPCQTBFVFEPSR-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1C[C@@H]2CC[C@H](C1)O2 2207407721 FYHAGXWJQFQROZ-FJIDUMEYSA-N 280.452 4.612 30 10 CJEE C=CCCCCCCCCCO[C@H]1[C@@H](N)CC12CCC2 2207425672 SYLUPKNVIHODRU-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H](C)C(F)(F)F)NN 2207431965 KSXQSXBSPRAJCS-UONOGXRCSA-N 294.405 4.714 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@@H]1CCCCO1 2207434915 FLDYAEHHYDUWOC-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](N)C12CC(C1)[C@H](C)O2 2207437083 OZFMOFYXQPTGHL-NALMEZQBSA-N 279.468 4.578 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)CC1(CCC)CCC1 2207444318 IMZPMMQXMSWFCO-DLBZAZTESA-N 283.500 4.786 30 10 CJEE CCCN[C@](C#N)(CC)CSc1ccc(C(C)C)cc1 2207599690 MQOKFCSMLLVFQS-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE C=CC[C@H](C)c1sc(C)c(Br)c1C 2209172101 XHLXUFGNEAKKQV-ZETCQYMHSA-N 259.212 4.807 30 10 CJEE C=CCCCCCCCN[C@@H](C1CC1)C(C)(C)C 2220081435 GBGIRWNSYNYANC-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@](N)(CCC)C(F)(F)F 2220083235 GQJKURCPJHYWKU-CYBMUJFWSA-N 265.363 4.963 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]1(C)CCCSC1 2220092299 LHNBRAZTPGNRJK-JKSUJKDBSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccc(Cl)s1 2220093195 OOTXUGZAEOFNHJ-LBPRGKRZSA-N 286.872 4.823 30 10 CJEE CCCC(CS)(CCC)COC[C@H]1CC=CCC1 2220472591 BJQOGZVOTWHLRK-HNNXBMFYSA-N 270.482 4.876 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)CC(C)(C)CC(F)F 2223599164 WBLUXJNMIZGVQF-OLZOCXBDSA-N 261.400 4.638 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ncsc1C 2223847078 AJBUDSGULMVVFH-CYBMUJFWSA-N 268.470 4.680 30 10 CJEE CCCCCCCC[C@H](C)NCc1cnc(C)s1 2223848896 ULLASYNKHQYKJI-ZDUSSCGKSA-N 268.470 4.680 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1[C@@H](C)C1(F)F 2223857158 LIXYBWRQXGOQCH-BFHYXJOUSA-N 261.400 4.616 30 10 CJEE C=CCCCCCCC[C@]1(CNC)CCC(F)(F)C1 2227270613 GBAKJGRJZPBYDU-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(OC)cc1 2227272629 NZDCZKDMQJEENS-KRWDZBQOSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(C)c(C)n1 2227272998 PSBWUYVRGQTMPT-QGZVFWFLSA-N 261.409 4.649 30 10 CJEE CCCC[C@@H](C)CC[C@@H](N)C#Cc1cccc(Cl)c1 2230991911 HOTXRHPIXGOLNV-RHSMWYFYSA-N 277.839 4.625 30 10 CJEE FC(F)(F)[C@H]1CC[C@@H](OCC2(CS)CCCC2)CC1 2231399778 UYTKEQGPWKCBQJ-TXEJJXNPSA-N 296.398 4.614 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cccc(Cl)c1C 2231518975 UCDGPBUEVDKGJG-SUMWQHHRSA-N 279.855 4.771 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@](C)(CN)CCCC 2231905277 GUENATGWXFYWSH-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@H](C)NCc1nc(C)oc1C 2231938653 BIUAUHCTRUNMKC-CYBMUJFWSA-N 266.429 4.520 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1scc2c1CCCC2 2233781387 GUGLUFUKVQZCST-INIZCTEOSA-N 289.488 4.717 30 10 CJEE C=CCCCCCCCCOc1ncccc1C(C)=O 2234035628 MCEDYTKAAHPWGD-UHFFFAOYSA-N 275.392 4.580 30 10 CJEE C=CCCCCCCCCO[C@H]1CCC2(CCC2)[C@@H]1N 2234043288 PFRVUMWEXJMLHH-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](N)[C@](O)(CCC)C(C)(C)C 2235523934 KVVUYCZBULKTHO-FUHWJXTLSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)[C@@H]1CCC1(C)C 2235538515 IZYBHYVGCDFLBM-CRAIPNDOSA-N 280.452 4.659 30 10 CJEE C=C1CC(CNCC)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2238828881 FOXJQYUCYSYEJG-UHFFFAOYSA-N 283.406 4.538 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CCCC1(C)C 2239457501 UXVFESWABSFXCC-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCO[C@@H](C)CNCc1ccco1 2239489635 KDYYDZOYQMPGDU-INIZCTEOSA-N 281.440 4.525 30 10 CJEE CCCCCCCCCCCOC[C@@H](C(=N)N)C(C)C 2239503334 QLYIQDURSIUDRR-MRXNPFEDSA-N 284.488 4.742 30 10 CJEE CCCCCCCOc1nc(C)c(CN[C@H](C)CC)s1 2239986581 UEOLVIROCXDJAI-CYBMUJFWSA-N 298.496 4.689 30 10 CJEE C=CC[C@H](CCCOC1CCCCC1)CN[C@H](C)CC 2240098691 ZFWWIMGUHRDEKP-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@](C)(CO)Nc1ccc(C)cc1 2240555422 HJBDIGGYRYYAKU-GOSISDBHSA-N 277.452 4.909 30 10 CJEE CCCCCCCC[C@](C)(OC[C@@H]1C[C@H]1CC)C(=O)O 2240617486 FXRJYVKNWOPYOT-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC12CCOCC2 2240620626 WTVOOOBLSMNSSE-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CO)CC1CCCC1 2240644802 NEPKLOQYIWETTD-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCOC(C)(C)C1 2240644847 NRKUSAULNPAHTF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@](C)(O)CCCCCCCC 2240653890 LTHGFJSISJNOJA-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C[C@@H](CCS)CCSCC1CC2(CCC2)C1 2243626546 GUUQRXWSOKNZNM-LBPRGKRZSA-N 258.496 4.646 30 10 CJEE Cc1cc(Br)ccc1SCCCCCC#N 2243757805 WLWMYMQDQBDSPP-UHFFFAOYSA-N 298.249 4.934 30 10 CJEE CC[C@@H](CS)COCC[C@@H](C)CCCC(C)C 2248823718 RBQNOINTKVJUBH-LSDHHAIUSA-N 260.487 4.812 30 10 CJEE C[C@@H]1CC[C@@H](OCCCCCCCS)C[C@H]1C 2252622627 ILHBSUPUYBTKOW-RBSFLKMASA-N 258.471 4.708 30 10 CJEE C=CCCCCCCCCCSC[C@H]1CCCN1 2253957199 WXEOAKRLEJUJLH-MRXNPFEDSA-N 269.498 4.778 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCCC[C@@H]2C[C@H]2C)C1 2257304094 QIGNWVDPAYJSHC-QBPKDAKJSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCSC[C@@H](NCC)C1CC1 2259047881 ALOPQVHORXLUFM-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=CCCCSc1sc(CNC(C)C)c(C)c1C 2259063548 ZUURQPOFTYJKBA-UHFFFAOYSA-N 283.506 4.921 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(C)ns1 2259192034 AGWFIQCWXQNXHT-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE C=C(C)CCCCc1nnc(C2CCCCC2)s1 2259239396 NWAAWWXMQGLXGZ-UHFFFAOYSA-N 264.438 4.875 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCC(C)(C)C1 2263209929 CJAPTTRYWFSPRL-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@H]1C1CC1 2263714960 FTZLYEVTYZSTQN-XIRDDKMYSA-N 251.458 4.904 30 10 CJEE CCCC[C@H](CC)CSc1cc(C)ncc1C#N 2263779550 IEALSHRIOAEFNN-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 2268251821 MGCMPTZRAOPPKZ-BZSNNMDCSA-N 253.389 4.512 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@]12CCC[C@H]1CC2 2273324429 LTKDWQUUVROTIN-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE C=CCCCCCC[C@H](O)c1cnc(C(C)(F)F)s1 2273591383 OTXQANSVSPBIGB-NSHDSACASA-N 289.391 4.815 30 10 CJEE CCCCCCCC[C@@](CC)(OCC(=O)O)C(C)C 2274771257 HJXMQOWVPONJBT-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@@](C)(CC1CC1)OCCCN 2277226946 PZQQYNCGURFTRJ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE SCCCCCCCN1CCC[C@@H](C2CCCC2)C1 2277509068 VMWQFXPLAVLHPU-QGZVFWFLSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](COC)C(C)C 2278242035 YDGFZNIQVRAFKW-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE N#Cc1ccc(COCC[C@H]2CCCC23CC3)c(Cl)c1 2281472495 VQBHSADHQDEPIR-OAHLLOKOSA-N 289.806 4.699 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C(C)=NO)c(C)c2)C1 2283259031 XYLYIFIKHVBQQT-CABCVRRESA-N 275.392 4.541 30 10 CJEE Cc1cc2sccc2c(C2(C#N)CCC(F)(F)CC2)n1 2286127232 VFVFYVSLJXVHDO-UHFFFAOYSA-N 292.354 4.575 30 10 CJEE C=C(C)CCCC[C@]1(CNCCOC)CC[C@H](CC)C1 2287371856 GPRQAXSJXDRKSC-ROUUACIJSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(F)c(F)c1F 2287413992 MONQNTFDCDCEDQ-CQSZACIVSA-N 285.353 4.891 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2287466589 QKJONLSLGQMBSA-UGUYLWEFSA-N 285.422 4.782 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@H](O)c1cccc(C#N)c1 2287933168 QKTFLFIAAOXZDM-QAPCUYQASA-N 273.420 4.834 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@H]1CCSCCC(C)C 2288874348 MIBKBOPSYPFOHK-IRXDYDNUSA-N 296.524 4.608 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21 2289772116 FATYKOWHURYJSU-NCXUSEDFSA-N 273.464 4.504 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H](CC(C)C)C(C)C 2289790657 KGJXJZROQGSEGB-RBUKOAKNSA-N 277.496 4.867 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(C)c(F)c2F)CC1 2289809134 WJTALOWGOLULFC-UHFFFAOYSA-N 277.358 4.926 30 10 CJEE O[C@H](CC#CC1CCCC1)c1ccccc1C1CCC1 2289853921 DYJHBSOAGANRMD-LJQANCHMSA-N 268.400 4.571 30 10 CJEE C(#CC1CCCC1)C[C@@H]1CCCCC[C@@H]1CNC1CC1 2289873703 FZUIPJLHTJGVRH-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](N)(CC#CC2CCCC2)CC1 2289899637 SREGQDFFJIVHRG-HKUYNNGSSA-N 275.480 4.894 30 10 CJEE CC(C)(C)CC1CC(CN[C@@H]2CCCCC[C@H]2C#N)C1 2290037424 PRCFSDGOGZUKLJ-SJJHQCBESA-N 276.468 4.511 30 10 CJEE C=CC=CCC[C@H](CCCCCCCC)OCC(=O)O 2290678734 ZNZSYEJSPXAVCA-MRXNPFEDSA-N 282.424 4.729 30 10 CJEE C=CCCCCCCC[C@]1(OCC(=O)O)CC[C@H]1CC 2291820693 YCRCZKDNZIHIBC-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCC[C@](C)(CC1C[C@@H](C)C[C@H](C)C1)OCCCN 2292983068 PBKOPUWESYMOFB-XYJFISCASA-N 281.484 4.539 30 10 CJEE C=C([C@H](OCCCN)[C@H](C)C1CCCCC1)C(C)(C)C 2293347759 HSVOPVVXGPBTGN-RHSMWYFYSA-N 281.484 4.539 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1ccc(Cl)c(C)c1 2293583845 JSDPIKZOPAGFEL-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1ccc(F)c(Cl)c1 2293880753 CBKZOXZXPYCTSE-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=CCC[C@@H](C)[C@@H](CCC1CCCCC1)OCCCN 2294220912 HSHANXQMVQGLOJ-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CCC(C)(F)F 2295597201 SCGAGISIYMKGQZ-HNNXBMFYSA-N 292.410 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@H](F)C1 2295601164 LISGHNCNCMMBML-ZOBUZTSGSA-N 286.431 4.585 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](CO)C1CCC1 2295668303 GVIUKJXPJFWVIT-SJLPKXTDSA-N 283.500 4.514 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CC[C@H]1OC 2295670872 KJZOEFDXKWEYMP-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CC(C)(C)COCCCCCCCCCCC(=O)O 2296250605 KRBJELYCPYAHOO-UHFFFAOYSA-N 284.440 4.811 30 10 CJEE CC1CCC(CSC[C@@H](C#N)C(C)(C)C)CC1 2299029212 VIFNIKZRIULSMA-JXQTWKCFSA-N 253.455 4.732 30 10 CJEE C=CCC(CC=C)CC(=O)c1ccccc1Br 2301053430 RPIOPRSIVRTJRI-UHFFFAOYSA-N 293.204 4.790 30 10 CJEE C=C(C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2301274384 KWPZDDKYOFQNQQ-AWEZNQCLSA-N 272.219 4.919 30 10 CJEE C[C@H]1CC[C@H](CSCC2(CS)CC(C)(C)C2)C1 2304520582 KTRNNDAETOKKMV-STQMWFEESA-N 272.523 4.892 30 10 CJEE N#CCCCCSCC=Cc1ccc(Cl)cc1 2311143947 IPEQDAPNOOQXNF-UHFFFAOYSA-N 265.809 4.780 30 10 CJEE C=CC[C@H](C)SCC[C@H]1CCCC[C@H]1NCCC 2313525469 WTSMCDNOTATFAN-ARFHVFGLSA-N 269.498 4.633 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1sccc1Cl 2316324652 LLQGNQGPIRONNL-CYBMUJFWSA-N 295.860 4.555 30 10 CJEE CC(=CCOC[C@H](C#N)C(C)C)CCCC(C)C 2316520279 IMKLHDFGALGIAR-INIZCTEOSA-N 251.414 4.571 30 10 CJEE Cc1c([C@@H](N)CC#CC(C)(C)C)ccc(Cl)c1Cl 2316955304 ITCBWMLRTDCIIM-ZDUSSCGKSA-N 284.230 4.741 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1cc(F)c(Cl)cc1Cl 2325187135 VBKZVDUMOMPOHW-SNVBAGLBSA-N 290.209 4.919 30 10 CJEE CC#CC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2325237957 XSQKUCCJLPKNNW-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@](C)(CS)C(C)(C)C 2327100459 QWCNINVQCLSJNW-IIAWOOMASA-N 272.498 4.954 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@@H]2F 2329128844 YDFYVORPZWEFSL-QAETUUGQSA-N 269.448 4.983 30 10 CJEE C=C(F)C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2331403238 JOQCMHUDUJNIOK-MWDXBVQZSA-N 267.432 4.834 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2333327565 CGNFXEDVQPJYSG-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2333706296 JYPDQNNLEHLBEP-IGKNDFSCSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCC[C@@H]2C[C@H]12 2333706449 NFYXRLQOXQPZPO-KURKYZTESA-N 263.469 4.881 30 10 CJEE C=CCC(CC=C)SCc1ccc([C@@H](C)NC)cc1 2335098536 LEINNCOPNRTWKO-CQSZACIVSA-N 275.461 4.721 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)cc1CN[C@@H](C)CC 2335229684 PLFQWJSWWOAKEB-LSDHHAIUSA-N 277.477 4.940 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335673476 ZKJCGEWRMMJMGC-YGRLFVJLSA-N 284.375 4.517 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1CCC[C@H](CC)CC1 2338743795 JBQXYZCOBVJNKI-JQHSSLGASA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cnc(C(C)C)s1 2338750206 PZGAYJKOFDAUPV-OAHLLOKOSA-N 278.465 4.686 30 10 CJEE C#CC[C@@H](C)C[C@@H](CCC1=CCCCC1)NCCC 2340295375 DNTHBBUYYXJKJN-SJLPKXTDSA-N 261.453 4.685 30 10 CJEE CCCCCCCCCCO[C@@H](C)CCCC(=O)O 2340499570 QDEZCAIAYQVMDK-HNNXBMFYSA-N 272.429 4.787 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(C)cc2SC)CC1 2342322452 XEOUTVXXJUFHBY-INIZCTEOSA-N 275.461 4.853 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC[C@@H]2CC[C@H]2C2CC2)C1 2342382753 PVGATCWZGZMHML-UBDQQSCGSA-N 262.437 4.988 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(C=O)CCCC12CCC2 2343370792 GBMRBZSWNQMQEH-IIDMSEBBSA-N 262.437 4.988 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@H]2CCC(C)=C(C)C2)C1 2343392362 UIAIWUMRXMBPGK-BBWFWOEESA-N 261.409 4.612 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C)CC(F)(F)C1)NCC 2344350093 YTZSOUXQNWWJLC-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE C=CCCCS[C@@](C)(C(=O)O)[C@@H]1CCCC(C)(C)C1 2352009936 XFOUOGBPSSFDKG-CZUORRHYSA-N 284.465 4.746 30 10 CJEE CN(Cc1cccc(Cl)c1)C[C@](C)(CS)C(C)(C)C 2352067951 IICDTNRXZCUNJI-MRXNPFEDSA-N 299.911 4.754 30 10 CJEE C[C@H](N(C)C[C@](C)(CS)C(C)(C)C)C1(C)CCCC1 2352303232 FRIWZATZMHYOOK-WMLDXEAASA-N 285.541 4.869 30 10 CJEE CCC1CCC(CN(C)C[C@@H](CS)CC(C)C)CC1 2353832991 YERNPHZNKRCIHN-JCYILVPMSA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)OCC(=O)O 2359979975 ZFGRJOHPCJQVMX-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](NCC)CC2(CCC2)C1 2360323469 ILFHUEHEAMRFDE-NVXWUHKLSA-N 293.520 4.941 30 10 CJEE N#C[C@H](CCCN1CCCCC1)c1cccc2ccccc12 2019704 BTRXWGPTVKXTBE-SFHVURJKSA-N 292.426 4.713 30 10 CJEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)cc1 37347898 QEGAMSKJLDQIOT-SFHVURJKSA-N 277.367 4.609 30 10 CJEE CCc1ccccc1OCCC[C@@H](C#N)c1ccccc1 57684453 RRFTXIGXGRRTHX-SFHVURJKSA-N 279.383 4.715 30 10 CJEE COc1ccccc1[C@@H](C#N)Cc1cccc2ccccc12 57739230 ZQIAOBBESSYHGI-QGZVFWFLSA-N 287.362 4.698 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)NC)cc1F 59184501 LESVTPDCLPXBRX-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE N#C[C@H]1CCCC[C@@H]1c1cccc(Cl)c1Cl 62625246 SSHPBTOSZQNEQT-ZJUUUORDSA-N 254.160 4.791 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 71132216 HVELATUYZLIYTM-DGCLKSJQSA-N 297.320 4.925 30 10 CJEE CC(C)COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 83204762 HPGPUCILEXVSJJ-LFYBBSHMSA-N 298.357 4.757 30 10 CJEE CCN[C@H](C)c1cccc(SCC#Cc2ccccc2)c1 84125407 OKEXYXHYCYWOCW-MRXNPFEDSA-N 295.451 4.501 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86901747 WLQZZWHTTHNMHH-GDBMZVCRSA-N 256.393 4.523 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@@H](CCC)CC2)c1 86921944 KCMXVXFMFBUBDP-SJORKVTESA-N 255.405 4.829 30 10 CJEE CCC[C@H](CS)CSCc1ccccc1C 87098080 IRVUJEMJRYIXGK-CYBMUJFWSA-N 254.464 4.574 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCCCc2ccccc21 88336777 VTDFAKBVUANEMQ-UHFFFAOYSA-N 282.774 4.686 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)c2ccc(C)cc2)CC1 91877461 DFCUHSKVKZTUPY-AVAKVYKDSA-N 285.431 4.703 30 10 CJEE Cc1cccc(N(C)CC2(CS)CCCCCC2)c1 94580444 KAUUCGDRLUSLEA-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE SCC1(COc2cccc(Cl)c2)CCCCCC1 94582958 SUDXIXDVAPJZTC-UHFFFAOYSA-N 284.852 4.989 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CSc2ccccc21 97419673 PBHOLRDAEGINMF-HOTGVXAUSA-N 275.461 4.600 30 10 CJEE CCCCCCCCNc1cccc(NC(=O)OC)c1 103145593 NFKBUKBPKUHVAW-UHFFFAOYSA-N 278.396 4.637 30 10 CJEE CCCCCCC[C@@](C)(C#N)Nc1ccccc1OC 103286433 VCXZNWAOEMUCAV-KRWDZBQOSA-N 274.408 4.750 30 10 CJEE CCCCCCCOc1ccc(C#N)cc1Cl 104173871 ZZGVBFAOLPHKIX-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE C=C[C@@H](C)Cc1cc(Cl)c(OCC)cc1OCC 107676180 XZFZGGJNNITSAD-LLVKDONJSA-N 268.784 4.502 30 10 CJEE CCCCCCCCCC[C@H](N)c1ncccc1C 109732155 MNSOTXGCGZUKHF-INIZCTEOSA-N 262.441 4.921 30 10 CJEE CCCCCCCOCc1nc(NCC)ccc1Cl 110100242 AUYNHPQUDYRTFV-UHFFFAOYSA-N 284.831 4.654 30 10 CJEE CCCCCCCCCC[C@@]1(CNC(C)C)CCOC1 110213402 YHIXTOXXNTZXMU-SFHVURJKSA-N 283.500 4.922 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(F)c(C(F)(F)F)c2)c1 110254702 POXAXARKZLSLCL-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C[C@H]1CCC[C@@H](SCCCOc2ccccc2C#N)C1 110354865 GYNULBVRKPSCRT-GOEBONIOSA-N 289.444 4.639 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1CNC(C)(C)C 111610643 LOZCOMBAQVBVLP-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCO[C@H]1CC(C)(C)CC[C@H]1NCC 112847031 SDQIHRIKIFJIKE-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@](C)(O)c1ccccc1Cl 114871755 SCKXMAFXEQPYQF-HNNXBMFYSA-N 254.801 4.908 30 10 CJEE CCCCCCCCCCNn1c(C)ccc1C 118235092 WAHLFMOFYQCOJE-UHFFFAOYSA-N 250.430 4.789 30 10 CJEE CCCCCCCOCC[C@H]1CCC[C@H]1NCCC 118779333 DQQSUVBBPHBENN-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CCCC[C@@H](NC)c1cc2sccc2s1 128822193 PSAHYKMILNFCBZ-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE CC1(C)CC(Nc2ccc(OCC#N)cc2)CC(C)(C)C1 129632211 LUPHUXGQTYJEAK-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE COc1cc(C#N)ccc1NC1CCC(C(C)(C)C)CC1 129970262 CJTWEFFVEZGUAU-UHFFFAOYSA-N 286.419 4.584 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)OC)NCCC 134492627 JVJSSSKKXWDYQT-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE Cc1ccc(/N=C(\O)c2c(O)ccc3ccccc23)c(C)c1 141907297 ODDGKVJKIXOUGM-UHFFFAOYSA-N 291.350 4.799 30 10 CJEE CCC[C@@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 155838859 CTRMQJADQGNAGV-OLZOCXBDSA-N 292.448 4.515 30 10 CJEE C=CCC[C@H]1CC(C)(C)CC[C@H]1CNCC(C)C 156329279 APLUMKNKXJITRQ-HOTGVXAUSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC(=O)CC[C@H]1CCCCN1 157946226 BCUIMICKIFUGHE-MRXNPFEDSA-N 267.457 4.619 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(F)c(OC)c1 159041653 UVUCLWHHXVVQES-INIZCTEOSA-N 281.415 4.845 30 10 CJEE CCCCCCCCNc1cc(F)cc([N+](=O)[O-])c1 161081961 FBUHXSGTVVLHDO-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H]2CC[C@@H]1O2 162014546 WBBIFLLRVSCDEJ-SQNIBIBYSA-N 281.484 4.817 30 10 CJEE C[C@H]1CC[C@H](Nc2cccc(C#N)c2)c2ccccc21 163676948 YVISJWOTWBUHCV-UGSOOPFHSA-N 262.356 4.609 30 10 CJEE N#Cc1cc(Nc2c(F)cccc2F)ccc1C(F)(F)F 164403246 KLJPUDITXGWXMN-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCC[C@@H](O)Cc1cccc(F)c1Cl 166517089 PNOCNJFXQQDDFF-CYBMUJFWSA-N 272.791 4.743 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCCC[C@H]1C(C)C 215030879 ADRRSGBARNNHIN-ZWKOTPCHSA-N 287.447 4.556 30 10 CJEE CC(C)(C)c1ccc(C(C)(C)C#N)cc1Br 218829123 HQYIYHDVBBZGBE-UHFFFAOYSA-N 280.209 4.548 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 228817028 PYMUJSHTSABIEC-IWECOHLESA-N 261.453 4.536 30 10 CJEE CCC(=CC(=O)Cc1cccc(Cl)c1Cl)CC 228853142 OSNDPGUYHOPQRA-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE CCCCCCCCCc1nc(C2CC2)n(CC)c1N 232961947 OICLMABOYQZXCX-UHFFFAOYSA-N 277.456 4.656 30 10 CJEE Cc1ccc(CC(=O)C2=CCCCCC2)c(Cl)c1 235875209 WAKPIMBZPACJBZ-UHFFFAOYSA-N 262.780 4.651 30 10 CJEE Cc1ccc(Oc2ccccc2C(F)(F)F)c(C#N)c1 235877384 XGPZBZPWGXVOOY-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(C)c(Cl)c2)c1 235920156 OJLQBPYUPGIPDO-INIZCTEOSA-N 270.763 4.634 30 10 CJEE O=C(COc1ccc(Cl)cc1)C1=CCCCCCC1 236041401 HGTWFEITXMAJKU-UHFFFAOYSA-N 278.779 4.569 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(F)cc1Cl 236315949 KRYKUTGPFVAWED-CQSZACIVSA-N 255.764 4.615 30 10 CJEE CCc1c(C)nn([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c1C 250137791 QABKCJWTFPZWFB-YQQAZPJKSA-N 287.451 4.589 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@]1(C)CC 250843397 YXPINWLOLFNUPK-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN1CCC(=NO)[C@H](CC)C1 253284598 NAFJLTHIKCOABX-MRXNPFEDSA-N 282.472 4.689 30 10 CJEE CCCC(F)(F)c1ccc([C@@H](C#N)C(C)C)cc1 259259320 ASDLTQMVFUAFEP-AWEZNQCLSA-N 251.320 4.842 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2 300255915 DPPCCGCBTVAVHR-XLAORIBOSA-N 263.469 4.927 30 10 CJEE N#C[C@@H](c1ccc(F)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 305955698 DOMYXJJTFIJVBN-NUZBWSBOSA-N 263.743 4.522 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCSc3ccccc32)c1 308122329 NUVOJASBGASTJR-INIZCTEOSA-N 280.396 4.516 30 10 CJEE C=CCCCCCCn1c(S)nc2ccc(C)cc21 312041267 WIHKSQRJVXESGL-UHFFFAOYSA-N 274.433 4.770 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1 328312582 BLLGHWQILFSNKT-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CCCCC1(F)F 381536394 QSGBKZBTQGUUNP-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cc3ccccc3s2)O1 388417590 MBWKZZSDEJJLKV-HOTGVXAUSA-N 271.385 4.599 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCCC1(F)F 390643514 HVJXKPLNEQZXTF-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 394193292 CMJOAZOUUBYEBG-IIDMSEBBSA-N 276.468 4.511 30 10 CJEE C=C(C)CC[C@@H](NCC(C)C)[C@@H](C)c1ccccc1 405583749 HARIQVHDPKPIHX-FUHWJXTLSA-N 259.437 4.761 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C2CCCCC2)C1 688279039 DUYCYWKIMUNOEZ-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCN(C)C1 690423158 WCEFMOUPLUVCJK-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(CC)s1 692255811 TYLMCBXKPITWQU-CZUORRHYSA-N 263.450 4.535 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)C(C)(C)N 696216068 ZUIUSQRRPCMHDO-HNNXBMFYSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(C)c(N)c1 696566115 WDTHDLZMJVDLCG-KRWDZBQOSA-N 263.425 4.751 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](N)C(C)C 697208349 KONJLPDCRWMARR-DLBZAZTESA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@]1(N)CCCS[C@H]1C 707486983 COEJMBZKTRPOSL-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE CC(C)C(C)(C)/N=C1/NC2(CCCCCCC2)CS1 713203982 YLGQUHNVPMBDRY-UHFFFAOYSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccccc1C(F)(F)F 715817006 ZJPPLGASWTWNII-RISCZKNCSA-N 271.326 4.568 30 10 CJEE C#C[C@@H](CC)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716024769 BLRFDWLIOQDSPL-JTQLQIEISA-N 295.226 4.548 30 10 CJEE CCCCCCCCCN[C@@H]1CCC[C@@H](OC)CC1 718358832 BGXDSJBFHJKDDO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H](COC)C(C)C 721729049 UHTTULIILCOTQZ-DLBZAZTESA-N 271.489 4.763 30 10 CJEE N#C[C@]1(NC2CCCCCC2)CC[C@@H]2CCCC[C@@H]2C1 723611266 WNSXXPWKGMYCJX-JZXOWHBKSA-N 274.452 4.551 30 10 CJEE C=C1CCC(CC(=O)c2cnc3ccsc3c2)CC1 724590924 ZHHAMKIVXBITHT-UHFFFAOYSA-N 271.385 4.616 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)Cc1ccc(C#N)cc1Cl 821941473 BIDLEYFCJVCUCO-CXAGYDPISA-N 290.838 4.612 30 10 CJEE C=CCN(CCc1c(Cl)cccc1Cl)C(C)(C)C 1174641800 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C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)cc1F 2337059839 CJHTUYKOQGHQJD-BFQNTYOBSA-N 281.802 4.875 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1 2337062408 NJUFPAFZHCKJHO-QXDIGNSFSA-N 261.453 4.680 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccncc1C(C)C 2338613946 XSNZRMJICRPNQV-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)N(C)C[C@@H]1C[C@H]1C1CCCCC1 2338668071 VCJQXNVDVOMJSP-WMZOPIPTSA-N 261.453 4.655 30 10 CJEE Cc1c(C[C@@]2(C=O)C[C@H]3CC[C@H]2C3)ccc(Cl)c1Cl 2338674346 QCXJHNBWNGOXBG-DETPVDSQSA-N 297.225 4.850 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338683183 ZAJDFRLSTZZGLM-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338683184 ZAJDFRLSTZZGLM-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@H](C)C(C)C)c1C#N 2339945760 ZQKFDPJSBLNQJU-OLZOCXBDSA-N 276.449 4.763 30 10 CJEE Cc1cc(N[C@H](C)C2(Cl)CCCC2)cc(C)c1C#N 2340738047 GSHJHTICHLLJKB-CYBMUJFWSA-N 276.811 4.527 30 10 CJEE CSc1cc(C)ccc1C(=O)C1=CCC(F)(F)CC1 2342402288 DIHFKKZJITUEEH-UHFFFAOYSA-N 282.355 4.645 30 10 CJEE C=C1CC([C@H](CC[C@@H]2CC[C@@H]2C2CC2)NCCC)C1 2342553411 CIXCPSVUSCZRBC-JQHSSLGASA-N 261.453 4.537 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C)c(F)c1 2344342575 LAGYXMPRGCRXOM-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1CC(C2CCC2)C1 2344344024 RBTHESIZXNTXPW-HIEASXQVSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC12CCC(CC1)C2)NCCC 2344377896 FEHHFISZFGAVNK-UPTPFMHGSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 2344419805 JPQFDQGZAYGDAY-NWDGAFQWSA-N 276.342 4.917 30 10 CJEE CC1(C)CC[C@H](CCOc2cccc(Cl)c2C#N)C1 2344880921 JIKLIISYKIGDNR-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C(C)C)ccn1 2352763094 LTBGZKYTSMTTAX-INIZCTEOSA-N 262.441 4.955 30 10 CJEE C=C1CC(C[C@@H](NCC)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1 2356031287 CXZXSNAJPMQQLQ-INDMIFKZSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1OC[C@@H]2CCC[C@H]12 2358948525 XYORJFDSKLCQBX-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@@H](NCCC)C[C@@H]2CCC[C@@H]21 2360206006 SEVZDWYFYOJMQZ-LEUOFYLZSA-N 293.520 4.797 30 10 CJEE C=CCC(CC=C)OC(=O)c1cccc(C(C)(C)C)c1 2360214959 OTLXHOGYFWROQD-UHFFFAOYSA-N 272.388 4.662 30 10 CJEE CC[C@@H](C)[C@@](C#N)(CCN(C)C)c1cccc2ccccc12 2039498 UVRPCMHJVMFIDJ-UZLBHIALSA-N 294.442 4.599 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 36973594 NECIETVXODCHFA-GXFFZTMASA-N 282.309 4.568 30 10 CJEE C[C@@H]1CC=CC[C@H]1COc1ccc(C(F)(F)F)cc1C#N 37334136 SSHOYKOIBBKZMC-NEPJUHHUSA-N 295.304 4.558 30 10 CJEE CCCC(CCC)Nc1ccc(C#N)c(Cl)c1 37393199 BMNFZRJOLUBCLC-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CC[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 61892170 SOJOSGWGLNZWEJ-BYCMXARLSA-N 297.229 4.726 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc2ncccc2c1 69502962 UIHYRTWIWBJBKN-QGZVFWFLSA-N 293.757 4.565 30 10 CJEE CC/C(=N/O)c1ccccc1O[C@H]1CCC[C@@H](CC)C1 71149939 VXMRCHPBYVWZOS-OFXSGMSSSA-N 275.392 4.623 30 10 CJEE CCc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1[N+](=O)[O-] 77079997 LHXZEVFRAWCTOA-UHFFFAOYSA-N 298.342 4.607 30 10 CJEE COc1ccc(-c2cc(CC#N)c(C)s2)cc1C(C)C 77095096 PUBXMGQBQWSTIF-UHFFFAOYSA-N 285.412 4.922 30 10 CJEE CC(C)Oc1cccc(/C=N/Nc2ccc(Cl)cc2)c1 82252001 WODKSSAFTLCDOB-WOJGMQOQSA-N 288.778 4.573 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)c2cccc(Cl)c2)CC1 91881682 DDULRJCFDITEGP-BLDCVEFLSA-N 291.822 4.730 30 10 CJEE CCCCCCC[C@@H](CCOc1ccccc1)NCC 109716120 LXWOCNDFEQCFGD-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CCC(C)C)C1CC1 112976363 RAROSDQDTAOTDG-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@H]1C(C)(C)C 114061922 STLLWBNZNRIMBL-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccccc1OC 114872063 HHSJGVWCFKYSHF-KRWDZBQOSA-N 264.409 4.653 30 10 CJEE C=CCCC[C@H](NCCC)c1coc2ccccc12 123051105 CPEPZESYVDHQIM-INIZCTEOSA-N 257.377 4.830 30 10 CJEE CCCCCCC[C@H](O)Cc1cc(F)ccc1Cl 124660403 YFGDKXGFRBPZNQ-AWEZNQCLSA-N 272.791 4.743 30 10 CJEE CCCCCCCC[C@@H](Cc1c(F)cccc1F)NC 125553171 YHUFPJAADJVNQY-AWEZNQCLSA-N 283.406 4.846 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cc(Cl)cs2)c1 125726559 OTVDCWJAYZUMFD-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=C(C)CC[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 125786713 BTHMRLBKYGHSHH-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(F)ccc2Cl)C1 126018927 DHGJMOYKLQDUGO-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](C)CCOC 128329863 OTQRCURXLSDVNX-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCn1cnc2ccsc2c1=O 128945098 ROCPTXIUYCZRBQ-UHFFFAOYSA-N 292.448 4.599 30 10 CJEE CCCCCCCOC[C@@H](NC)c1cc(C)cc(C)c1 133090581 IYZZMOBBQFDULY-GOSISDBHSA-N 277.452 4.551 30 10 CJEE C[C@@H]1CCC[C@H](SCc2cc(F)cc(C#N)c2)C1 163776372 BLYBVHWQDKFLBA-ABAIWWIYSA-N 263.381 4.509 30 10 CJEE CCCCCCCCCn1c(C(C)C)nc(Cl)cc1=O 165080565 BZSRBAIRARHNSD-UHFFFAOYSA-N 298.858 4.771 30 10 CJEE C=CCC[C@H](N)c1ccc2cc(Br)ccc2c1 167815683 PKULWBBAODLJLI-HNNXBMFYSA-N 290.204 4.568 30 10 CJEE CCCCCCCC(F)(F)C(F)(F)Br 169725039 MENMVHVDNKOSJA-UHFFFAOYSA-N 279.115 4.970 30 10 CJEE CC#CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)(C)C 212204868 CYNVWLQZAWKNHK-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE N#Cc1cccc(Nc2cc(C(F)(F)F)ccc2Cl)c1 227605351 LLZOZUWDBNLBQN-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCC[C@H](O)c1ccoc1Br 232925729 UISDDFVHUWHVEK-LBPRGKRZSA-N 289.213 4.826 30 10 CJEE CCCCCCCCNCc1ccc2cnccc2c1 232931980 QLYBJYXYYLDVKX-UHFFFAOYSA-N 270.420 4.685 30 10 CJEE C=CCCCCCN[C@@H](C)c1cc(C)sc1C 235510890 PWWBAXGJLXCCLA-ZDUSSCGKSA-N 251.439 4.762 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 252410117 LCPVNYKJIDLRAX-XLWVJDPXSA-N 288.410 4.879 30 10 CJEE N#Cc1csc(-c2ccc(Cl)cc2)c1Br 259478028 NNTBJFSJEDUPSP-UHFFFAOYSA-N 298.592 4.703 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@@](=O)[C@@H](C)C(C)C)C1 300446780 OKXMSQIGUQTSSI-BUZFHVMYSA-N 297.508 4.524 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C#N)CC[C@H](C)C1 300522651 SCGYWUXYLMISFC-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE CC(C)CCSCc1ccc(Br)cc1C#N 309248740 ZFBWHGPQTYYOGO-UHFFFAOYSA-N 298.249 4.600 30 10 CJEE CC(C)OC1(C=O)CCCCCCCCCCC1 316363788 SCDOKKSCICSXPP-UHFFFAOYSA-N 254.414 4.654 30 10 CJEE C[C@@H]1CC[C@@H](C2(C=O)CCCCCCC2)C[C@H]1C 316803401 NPUHIDJVHOMJRH-BZUAXINKSA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@]1(CNC)CCc2ccccc2C1 317054846 QGJNAXLKNPPSNF-IBGZPJMESA-N 271.448 4.518 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H](C)C2CCCCC2)C1 317668367 FJIZOCVMSRYYHF-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@H](CN(CC)CC)NCCC 328012726 QIMQNCNYSSEISH-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCC[C@H](CC1(COC)CCC1)NCCC 383317011 RLMGGGWZHPCKDK-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@]1(C#N)CCCC[C@H]1C 384996128 LISJSUDUUGLTMZ-BMIGLBTASA-N 292.766 4.528 30 10 CJEE Cc1ccc(N=C2N[C@@H](C3CCCC3)CS2)cc1Cl 386411600 WZRNZVDGOCHCTN-CQSZACIVSA-N 294.851 4.531 30 10 CJEE CC[C@@H](C)C[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394420457 OZRVZESMGLRWAS-HCEZTOJASA-N 265.441 4.530 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](C#N)Nc2ccccc2Cl)C1 394579507 UNWDGXSHLGPVRK-IOASZLSFSA-N 276.811 4.860 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)CC2CCCCCC2)C1 394641433 VBUAGMYLJHTFQG-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)Cc1ccc(Cl)cc1 398145475 BNUPIZVOGVIYJD-ZIAGYGMSSA-N 265.828 4.605 30 10 CJEE Cc1cc(OC(F)F)c(C(F)(F)F)cc1C(F)F 575664953 NYUPSYYYIWVGRB-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCCCC[C@@]1(C(F)(F)F)CCCN1 585657978 WQWQVZHDWCEYEW-ZDUSSCGKSA-N 265.363 4.812 30 10 CJEE C#CCC1(CNC(C)(C)C)CC(C)(C)CC(C)(C)C1 687950479 IUHZABOUPRUZLV-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)CCOC2 688361779 QNPUONMLIUVNPO-SFHVURJKSA-N 275.436 4.510 30 10 CJEE N#Cc1ccc(NCC2CCC3(CC2)CC3)c(Cl)c1 695766089 MODLQXHARRVYHA-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCCCCC[C@](C)(N)COc1ccccc1 704455527 PXUHFKLQNPVISS-SFHVURJKSA-N 277.452 4.924 30 10 CJEE CCCCCCCN[C@@H]1CCCc2ccc(OC)cc21 705825991 UDRVTSNIISHXJZ-GOSISDBHSA-N 275.436 4.633 30 10 CJEE CCCCCCCC[C@H](NN)c1cscc1Cl 710339305 WGVXSQNHIZLCNX-ZDUSSCGKSA-N 274.861 4.657 30 10 CJEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710815788 ZBFABQXUJFYSIS-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCCC(C)(C)O2)C1 714383605 SGFIDSQESNOONA-HLLBOEOZSA-N 266.425 4.510 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cnc2ccsc2c1 715717467 CCQQXRYXAYNTKG-WBMJQRKESA-N 274.433 4.549 30 10 CJEE C=CC[C@H](C)[C@H](CCc1cccc(C)c1)NCCC 715800753 UMFPCYBLIJTEDQ-WMZOPIPTSA-N 259.437 4.508 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1cc(Cl)ccc1C#N 717554228 KIZGQFGOMFGHGJ-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE CCCCCCCSC(=N)Nc1ccccc1 718907553 XDBQTPCMZINHGX-UHFFFAOYSA-N 250.411 4.737 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCC(C)(C)[C@H]1NCCC 719287787 KDZJNIRLRYLOEV-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE Cc1ccc([C@H](C#N)C2C[C@H](C)C[C@@H](C)C2)cc1C 719376653 KCSXEJYGCWWVLR-VFVRVIDISA-N 255.405 4.983 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cc(C)ccc2C)CC1 724443139 LGXRSRWVYIMYEA-INIZCTEOSA-N 257.421 4.700 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H](C)O[C@H](C)C1 724470350 HPAMIGPSTUPTNI-FVQHAEBGSA-N 269.473 4.530 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(Cl)cc2)CC1 724542712 RKIPBLGTNVLNSC-CYBMUJFWSA-N 263.812 4.737 30 10 CJEE C=C1CCC(CSc2cccc([C@H](C)N)c2)CC1 724559744 MNAJGGCJOTWHRJ-ZDUSSCGKSA-N 261.434 4.545 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)cc2)CC1 724597993 FIZQNWYPGGSDFL-HNNXBMFYSA-N 250.769 4.510 30 10 CJEE CCCC1(C/N=C2/N[C@H](C3CCCC3)CCS2)CCC1 725113773 JDDLFJMRSUHXBS-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE COc1ccc(N=C2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 1088688880 SXUIDVHRQWBMBW-SJKOYZFVSA-N 257.377 4.614 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 1125050995 WLPGAAVUJQPFJA-GUYCJALGSA-N 291.410 4.631 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(Cl)c1OC(C)C 1126017899 VCPSQFZFAVOPND-GFCCVEGCSA-N 295.810 4.668 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](C)c1cccc(OC(C)C)c1 1128122091 XUUIJXAFBWAGAX-CABCVRRESA-N 290.403 4.680 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc2oc(C)c(C)c2c1 1128154824 FOIYXWCHNKMVLJ-UHFFFAOYSA-N 283.371 4.757 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@@H](C)C1CCCCC1 1133174139 VJLLILURKFVUNU-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc2ccccc2cc1F 1133176861 GHWOKNHYQUIQAI-UHFFFAOYSA-N 299.389 4.701 30 10 CJEE C=CC[C@H](C)Sc1ccc(Br)cc1 1188310355 YHXFKACNRAPNSX-VIFPVBQESA-N 257.196 4.506 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(Cl)cc2OC)C1 1205489455 QZIYNMKINMQXBV-WCQYABFASA-N 265.784 4.505 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 1207083700 RKVMGBRJKOGKES-SOUVJXGZSA-N 277.477 4.822 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC[C@@H]1CC=CCC1 1216892141 VVYAGRARDWQLEV-MRXNPFEDSA-N 298.430 4.673 30 10 CJEE C#CCC1(NCc2ccc(Cl)c3ccccc23)CCC1 1308102459 ZWLOMEIWAGTQCG-UHFFFAOYSA-N 283.802 4.529 30 10 CJEE C=CCC1(CNCc2cc(Cl)ccc2OC)CCCC1 1308402877 GBGIGWFPEDDMMZ-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C(C)CCC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 1336055147 PJZVRAWWIYWYQS-ZDUSSCGKSA-N 289.272 4.554 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 1356089100 BSMFBHGSTJICGK-LBPRGKRZSA-N 295.810 4.668 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@H](C)c1ccco1)c1ccccc1 1357219690 MCMUVJVRPSZKCU-DOTOQJQBSA-N 297.398 4.597 30 10 CJEE C=CCC1(C(=O)Nc2cnc(Cl)c(C)c2)CCCCC1 1435385604 KVUGSKFBHRNLSM-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H](c2ccccc2)C(C)C)C1 1461020296 WMNVDKKPEPTQFA-QRQLOZEOSA-N 271.448 4.761 30 10 CJEE C=CCCCN(CC)C(=O)C[C@H](c1ccccc1)C(C)C 1463239716 JBAKHKZIMFFORU-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 1474067168 HCOWYKUHWSJDNH-NSHDSACASA-N 295.304 4.630 30 10 CJEE C=C[C@H]1CCCCN1C(=O)N[C@H](CCC(C)C)C(C)(C)C 1477911832 DLHVFZPCWILHBR-JKSUJKDBSA-N 294.483 4.587 30 10 CJEE C=CCCC[C@H](C(=O)NCC(C)(C)CC)c1ccccc1 1521927204 ZMQJBZDVFUGFSZ-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C=CCC(CC=C)C(=O)Oc1ccc(Cl)c(Cl)c1 1522226686 ZKUCTDKPYDWQNN-UHFFFAOYSA-N 285.170 4.667 30 10 CJEE C=CCC1(NC(=O)c2cscc2C(F)F)CCCCC1 1525769994 NWRQAQMIYPSLJM-UHFFFAOYSA-N 299.386 4.695 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 1525816154 JSUIGSWLNJRUTH-QZTJIDSGSA-N 299.458 4.679 30 10 CJEE 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CJEE O=C(CC#CC1CCCC1)c1cc2cscc2s1 2261164483 SCYOPLDLCHLNHW-UHFFFAOYSA-N 274.410 4.729 30 10 CJEE Cc1cc(NCC2CCCCCC2)cc(C)c1C#N 2265858656 FEEQQZRFQKDIEV-UHFFFAOYSA-N 256.393 4.557 30 10 CJEE C=CCC[C@@H](C[C@H]1CC(F)(F)C12CCC2)NCCC 2266343122 SUMBDKKMSLBPPX-KBPBESRZSA-N 271.395 4.536 30 10 CJEE N#Cc1cc(NCC[C@@H]2CCCC23CC3)ccc1Cl 2266695867 CELVPRHNFLGQFF-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C#N)CCC[C@@H](C)C2)c1 2269185421 HXPIKLRGHAHXIA-WBMJQRKESA-N 277.795 4.611 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C(C)C)CS1 2272259805 GITBOEKIHHGIHZ-LSDHHAIUSA-N 284.513 4.556 30 10 CJEE CCCCCC#CC[C@]1(N)CC(C)(C)CCC1(C)C 2274479347 HWYFUZGMWKVTQF-SFHVURJKSA-N 263.469 4.894 30 10 CJEE C=CC1(CN[C@@H]2CC(C)(C)CCC2(C)C)CCCC1 2274497360 CRPSGQFIBXMKJL-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccc(Cl)o1 2276756743 USSJMOJWNFHZIB-CYBMUJFWSA-N 287.831 4.700 30 10 CJEE C=CCCCCCC(OCCCN)(C(C)C)C(C)C 2277000338 LXRPOEZZYHTCOH-UHFFFAOYSA-N 269.473 4.539 30 10 CJEE C=C=CCC[C@](C)(CCCCCCC)OCCCN 2277307765 KLDSHXYFRLHNLT-QGZVFWFLSA-N 267.457 4.592 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CN(C)CCCCCCCS 2277501461 OAEHLYDGZHGAHV-DLBZAZTESA-N 285.541 4.871 30 10 CJEE CCCCCCCCC[C@H](C)Nc1c(C)n[nH]c1C 2278245013 LJFWCQROYMVTOC-ZDUSSCGKSA-N 265.445 4.968 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1CCC(C)(C)CC1 2284110635 RYYCFYHXNGOCLY-QGZVFWFLSA-N 275.480 4.787 30 10 CJEE C=CCCCCCCCSc1ncccc1C[C@H](C)N 2287086576 XSHIVLMZNJERQT-HNNXBMFYSA-N 292.492 4.590 30 10 CJEE C=CCCCCCCCSC[C@H](C(=N)NO)C1CCC1 2287095598 AXGYDADLYQNFEF-HNNXBMFYSA-N 298.496 4.619 30 10 CJEE C=C(C)CCCCN1CC[C@@]23CCCC[C@]2(C1)C3(F)F 2287379202 NQSIGQGGXALWPU-JKSUJKDBSA-N 283.406 4.634 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@@H]1CCCC(C)(C)CC1 2287673493 CGSJQLBUCSEQES-SJLPKXTDSA-N 281.484 4.673 30 10 CJEE N#C[C@]1(C[C@]23CCCC[C@H]2CC3)CCOC12CCCC2 2289084577 NBISOAGTCAIHJB-GVDBMIGSSA-N 273.420 4.590 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(F)c(Cl)c1 2289711504 ISHXJZRXSZUOGC-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCCC12CC2 2290617551 USVGEKOPJJDMOY-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE C=CCCCCCCCC[C@@H](OCC(=O)O)[C@H](C)CC 2291309106 XNGJAIPYLMTJOT-HZPDHXFCSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCCC1(OCCC(=O)O)CC(C)(CC)C1 2292721061 SSLOBFAWLULTTQ-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1ccccc1Cl 2292808406 COPCEIXFCCASTM-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE CCCCCCCC[C@@]1(OCCN)C=CCCC1(C)C 2293414585 VZSPQWABFMIEDN-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@@H](C(C)C)C1 2293667311 NZPIBOLKLBIGFB-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C(C)C 2294000052 IKNMBVZEVUIHKG-SQNIBIBYSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)[C@@H](C)CC(C)C 2294027184 PQNSSRUFTHVNBV-ROUUACIJSA-N 283.500 4.929 30 10 CJEE C=C1CCC(C[C@@](CC)(CCCC)OCCCN)CC1 2294095987 NCSPOOAZXWUSIR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCC[C@@H](CC(C)C)C1 2294257687 UXGCGRDBQKMEMZ-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC[C@H](CCC)CC1 2294661242 CJTHENULVFJDFZ-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CC[C@](N)(C#Cc1ccccc1Cl)CC1CCCCC1 2295221599 KQWYIQVNGVGNLA-SFHVURJKSA-N 289.850 4.769 30 10 CJEE CCCCCCCCC[C@](C)(N)CC12COC(C)(C1)C2 2295581186 ZYFOTOMLJNNMAV-AOCRQIFASA-N 281.484 4.804 30 10 CJEE CCCCCCCCC[C@H](C)NCc1coc(CC)n1 2295681016 CFRKWNMOGXHLBS-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE C#C[C@@H](N[C@H](c1ccccc1)C1CCCC1)C(C)(C)C 2295713807 IJJPSZPVEGDEEJ-QZTJIDSGSA-N 269.432 4.555 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cc(Cl)sc1Cl 2300163937 XJYFJLXBPBQHCQ-GXSJLCMTSA-N 290.259 4.889 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Br)cc1 2304045843 KAJUXNHGDCRBRA-GJZGRUSLSA-N 296.252 4.702 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1csc(C(F)F)c1 2304047641 DBWUAPTWUHJOHV-AAEUAGOBSA-N 259.365 4.678 30 10 CJEE C=CCC(CC=C)Sc1c(CNC)sc(C)c1C 2313694718 HPFDNQJFXVCHCI-UHFFFAOYSA-N 281.490 4.697 30 10 CJEE C[C@H](CCS[C@H](CC#N)c1ccccc1)C(F)F 2316632543 CHAGNXHVOACEPY-DGCLKSJQSA-N 269.360 4.666 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc2ccccc2s1 2316743900 JOSRDBZSMLLSIA-MRXNPFEDSA-N 258.386 4.703 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065915 YOFYNEBITBFGJN-RISCZKNCSA-N 284.230 4.919 30 10 CJEE C=C(C)C[C@@H](CC(C)(C)C(F)(F)CC)NCCC 2319288180 FNMXJHBNLBJNEL-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@]1(C)CCCC1(F)F 2321107732 IYTOPYFIQRODSN-MELADBBJSA-N 259.384 4.522 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@@](C)(CS)C(C)(C)C 2327100458 QWCNINVQCLSJNW-FMKPAKJESA-N 272.498 4.954 30 10 CJEE C=CCCC[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2332773045 GDMNKALQIWNVMT-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334486464 AZNVGCGAAPRDJV-APIJFGDWSA-N 273.411 4.638 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(F)cc1[C@H](C)O 2335208282 ZSDUYZILYJQABT-LBPRGKRZSA-N 280.408 4.800 30 10 CJEE CC(=CCNCCC#CC(C)(C)C)CCCC(C)C 2338442565 MDBCEZFHUHLAJL-UHFFFAOYSA-N 263.469 4.788 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C)CC[C@@H]1CNCCC 2338724355 GSPHGBXKWXXBIO-NXHRZFHOSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)N(C)Cc1cc2ccccc2s1 2338729032 BQOOSTCDSZFGGI-UHFFFAOYSA-N 271.429 4.854 30 10 CJEE C=CCC(CC=C)[C@@H]1CCCC(F)(F)[C@@H]1NCCC 2338745193 UOHJROXCGQXOKM-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(O)[C@H](C)C(C)C 2340255545 JAGDYHWAWRGQNT-WBVHZDCISA-N 270.457 4.739 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccc(F)cc1 2344357106 PFPIIERGYWVNRZ-IRXDYDNUSA-N 263.400 4.859 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC#CCCCCC)NCC 2344373711 CFDRJGMFFBDSQM-MSOLQXFVSA-N 263.469 4.931 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC(C)(C)OC)NCCC 2344379892 PRUVXLAYXPBSPG-DOTOQJQBSA-N 269.473 4.552 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@H]2CCCC[C@@H]21 2352315633 FFZMLRANACLXKW-VYDXJSESSA-N 283.525 4.623 30 10 CJEE CCSc1cccc(O[C@@H]2CC[C@@H]3CC[C@H]2C3)c1C#N 2354083372 CKGYZVGNYHAMBO-KCQAQPDRSA-N 287.428 4.628 30 10 CJEE CC(C)(CCC#N)CNC[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354879542 PEIBLLINWLLHRY-BBWFWOEESA-N 276.468 4.512 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@H]1C(=O)O 2360198346 HJYDHAFXEHACOJ-FVQBIDKESA-N 296.476 4.910 30 10 CJEE C=CCCCCCCCCOc1cccc2c1CCO2 2360459606 SKPZLWJXNLRESU-UHFFFAOYSA-N 274.404 4.917 30 10 CJEE Cc1ccc(-c2nc3c(C)cccn3c2[C@H](C)C#N)cc1C 31921487 LLGKJPZKQPRQFY-OAHLLOKOSA-N 289.382 4.554 30 10 CJEE CCCCCC(=O)[C@H](C#N)c1ccc(C(C)C)cc1 36931469 LEOZCYVZRBTVDI-MRXNPFEDSA-N 257.377 4.567 30 10 CJEE CCN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 37147215 KOOQNCCRVZLDAE-IXDOHACOSA-N 278.484 4.709 30 10 CJEE Cc1cccc(-c2nc3cc(C)c(C)cc3n2CCC#N)c1 57801660 HXUUYKXWGGNJIH-UHFFFAOYSA-N 289.382 4.542 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccnc1OCC 59446028 BOHCUSMBPKWCQG-CQSZACIVSA-N 264.413 4.641 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)C1 68594097 DQORIJGTVMUFEX-WCQYABFASA-N 262.784 4.592 30 10 CJEE N#CCc1nc(-c2ccc(Cl)c3ccccc23)cs1 76561170 MRPKWWKVDJIESP-UHFFFAOYSA-N 284.771 4.683 30 10 CJEE CC[C@H](C)c1ccc(-c2cc(C#N)nn2C(C)C)cc1 76849403 RMAPLGHYKQPWAP-ZDUSSCGKSA-N 267.376 4.516 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCc2ccc([N+](=O)[O-])cc2)C1 87972701 LXYCYNVBRTWVPT-RHSMWYFYSA-N 286.375 4.638 30 10 CJEE CCC(CC)(CS)CN1c2ccccc2CC[C@@H]1C 94578471 XMKXLTBJINGYJO-AWEZNQCLSA-N 277.477 4.564 30 10 CJEE Cc1ccc(-c2ccc(CCCCS)cc2)cc1 95629824 XMUNCJRRMDHIJH-UHFFFAOYSA-N 256.414 4.915 30 10 CJEE CCCCCCCNc1cccc(OCCCC#N)c1 103146075 ISZXNIVHQVJWMU-UHFFFAOYSA-N 274.408 4.751 30 10 CJEE CCCCCCCOc1ccc([C@H](N)C(F)(F)F)cc1 103549982 HKRNUJDRUOHDNR-AWEZNQCLSA-N 289.341 4.598 30 10 CJEE CCCCCCCO[C@H](c1ccsc1)[C@@H](N)CC 105551302 VJWRAUXHMSZNMD-LSDHHAIUSA-N 269.454 4.514 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(C)cc1Br 107497897 OAAWKQBXDKRTSC-NWDGAFQWSA-N 265.194 4.520 30 10 CJEE CCCCCCCNc1cc(Cl)ccc1-n1cccn1 109904879 UGZVJNGXPGCXOW-UHFFFAOYSA-N 291.826 4.908 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC(C(C)(C)C)CC2)C1 110265349 HSLFTHRZBQZEIW-XYJFISCASA-N 290.495 4.853 30 10 CJEE CCCCCCCC1(O)CCC(C(F)(F)F)CC1 114877024 UTWMNXCEEREECH-UHFFFAOYSA-N 266.347 4.831 30 10 CJEE CCCCCCC[C@H](NN)c1cc2ccccc2s1 122292749 GOLQJUSRDCVTON-AWEZNQCLSA-N 276.449 4.766 30 10 CJEE CCCCCCCCCCNc1nccc(C)c1N 124748381 OYLVEGWGILKZND-UHFFFAOYSA-N 263.429 4.525 30 10 CJEE CCCCCCCC[C@H](NC)c1c(Cl)cnn1CC 126155073 AYZMKBWFNOSXSH-AWEZNQCLSA-N 285.863 4.568 30 10 CJEE CCCCCCCCCCNc1c(N)c(C)nn1C(C)C 129208941 HKRMKGOWWBVVRM-UHFFFAOYSA-N 294.487 4.907 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1c(Cl)cnn1C 129796934 JAHPMNPAQMXAQJ-OAHLLOKOSA-N 299.890 4.865 30 10 CJEE N#CCc1ccc(N[C@H]2CC[C@@H](c3ccccc3)C2)cc1 130615869 HBGVJDGHAUQXFV-MJGOQNOKSA-N 276.383 4.501 30 10 CJEE CCCCCCCCOc1cc(OC)ccc1C(C)=O 138598235 PXPJHPNTXXQXAW-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE C=C[C@H](C)N[C@H](c1ccccc1)c1ccc(C)cc1C 159755680 AVDKWJXMHQYOMQ-QFBILLFUSA-N 265.400 4.557 30 10 CJEE CCCCCCCCCCCC[C@@H]1CCC[C@@H](C(=O)O)N1 160212973 XIEMVRIKPPCWGQ-SJORKVTESA-N 297.483 4.893 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C(F)(F)F)c1 164505376 IQAKEPJXKSEZTR-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ccccc2)cc1C#N 218491927 YSMDZZKEDXIJNK-KDOFPFPSSA-N 291.398 4.611 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2cccs2)C1 219961518 ZDHKOHZOOWRQQK-JJXSEGSLSA-N 290.476 4.849 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc2ccccc2c1 221042129 JHGZMLNNYHCFRR-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1SCc1ccco1 222267252 OTRIHLUVBGZYCI-RYRKJORJSA-N 297.423 4.989 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(CC(C)C)cc2)C1 227415373 VOUYONCTCRUCPL-AYOQOUSVSA-N 285.431 4.639 30 10 CJEE CCCCCCCC[C@H]1NCCc2c(OC)cccc21 232931202 BHJBKXKLPWGOQG-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCC[C@H](O)c1c(C)cc(C)cc1F 232943072 JHFFDLNEGBZFKF-HNNXBMFYSA-N 252.373 4.836 30 10 CJEE C=C(CC)C[C@H](NCC)c1scc(C)c1Cl 233558789 SGJIZOSKBAKCAN-NSHDSACASA-N 257.830 4.717 30 10 CJEE C[C@@H](Nc1ccc(C#N)c2ccccc12)C(C)(C)C 235232384 CXOPPWJQLFFOMO-GFCCVEGCSA-N 252.361 4.558 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C)C[C@H]1C 251145198 LYEIKQOZWNKWBZ-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC3(CCCCC3)O2)C[C@H]2CC[C@H]1C2 300002458 RINWLWMXQHOORA-QAETUUGQSA-N 273.420 4.588 30 10 CJEE Cc1ccccc1N[C@H](C#N)C1CCCCCCC1 311274324 DPTFLFLBWDRRGF-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CO[C@@H]1CCC[C@@H](C2(C#N)CCC(C(C)C)CC2)C1 311373279 JWVWVNJLWFPXKH-JCCCHCCOSA-N 263.425 4.548 30 10 CJEE Cc1cccc(CC2(C#N)CCC(C(C)(C)C)CC2)n1 312407655 WLJPMEHHQNFUOQ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE Cc1cc(OCc2ccc(Cl)cc2)c(C)c(C)c1C#N 312691368 BXSFYWAVMQOGHK-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CC[C@H](C)C2)cc1Br 314521414 GMYLPKXELDCKCW-XHDPSFHLSA-N 292.220 4.630 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cccc(Cl)c1Cl 316702831 CDKONMGGFAFNLG-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE N#Cc1ccc(NCC/C=C/c2ccccc2)c(Cl)c1 323305260 PAIUJJHFIUQXBB-XBXARRHUSA-N 282.774 4.727 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](S[C@](C)(CC)CO)C1 380514345 ALHQDLPATAMPLI-LJIGWXMPSA-N 297.508 4.625 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cccc(Cl)c1C 381887672 ZMSCWZRXCPARHG-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)ccc1Cl 385084111 XBRWYEXNALXIAK-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C=C(C)CCN[C@H](c1ccco1)c1ccc(Cl)s1 386796164 AWRSEEKQHBVHQH-CQSZACIVSA-N 281.808 4.640 30 10 CJEE CC[C@](C)(C#N)c1cc(F)c(Cl)c(Cl)c1Cl 390250767 KRDKOCWPHSAXQE-LLVKDONJSA-N 280.557 4.977 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 390787989 ZYBSMIOACUQOGU-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CCC1(CC)CN/C(=N/CC(C)(C)CC(C)C)SC1 391312307 JKSLXSPYLXFDLL-UHFFFAOYSA-N 284.513 4.558 30 10 CJEE CC(C)(C)CC(C)(C)NC[C@H](C#N)C1CCCCC1 397287686 KSJYCHWFODWSTQ-HNNXBMFYSA-N 264.457 4.511 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCCCC1(F)F 400495859 FEQSIEYNHHOTDH-HIFRSBDPSA-N 273.411 4.782 30 10 CJEE C#CCCCCCNc1cccc(C(F)(F)F)c1C 686688082 MXSIVCSKLXJRLL-UHFFFAOYSA-N 269.310 4.619 30 10 CJEE C#CCCCCC[C@]1(CNCC(C)C)CC[C@@H](C)C1 686701323 QRPBWDJPOCZOIC-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE CC(C)CC[C@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688340652 CYCFNECVRXRZAL-KRWDZBQOSA-N 279.468 4.920 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCCC(F)F)CC1 688769926 ISPCWEFAGGHHES-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CCC[C@@H]1C 690969730 PKWKDJXDYOLWED-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1ccccc1C 691072826 DIOIBBMVKBNPQG-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(Cl)cc2C#N)cs1 695659518 ILTBPRRYDJKXHY-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)C(C)(F)F)NN 696995336 MGUVWZHTFGAVMW-ZDUSSCGKSA-N 278.431 4.640 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)c(F)c3)C[C@@H](C1)C2 697310654 XTKBPIDNLSNOAH-MZBDJJRSSA-N 259.368 4.681 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCC[C@H](C)CC2)C1 697854740 HYKZASFFLYGZJF-YYWYGQEZSA-N 276.468 4.605 30 10 CJEE C=CC[C@H](C=C)O[C@@H]1CCCCCCCCCC[C@@H]1O 706664005 RFPLJEXFZPZKQB-OKZBNKHCSA-N 280.452 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(C)c1C 709383961 XDCSPJXZODQGHA-AEFFLSMTSA-N 257.421 4.528 30 10 CJEE CCCCCCCOC[C@H](NC)c1cccc(Cl)c1 709570085 QWCAYWDADKCUMR-INIZCTEOSA-N 283.843 4.588 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1csnc1OC 712852418 JPTYUPXOSOEJCL-OAHLLOKOSA-N 298.496 4.943 30 10 CJEE CCCCCCCCCCOc1ccc2c(c1)CNC2 713051959 VYBLRDAASMUAIN-UHFFFAOYSA-N 275.436 4.809 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](N)CC=C(C)C 719586123 YECKSWNBPKEJSR-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C[C@H](OCCCCCCCCCS)C1CCC1 719754601 LDSIRSUJESWLIA-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE CCCCCCC[C@H](NC)C1CCC(SC)CC1 720508603 FGWJYZHKDQMFOJ-GPANFISMSA-N 271.514 4.857 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc3c(s2)CCCC3)CC1 724614715 BMOXADAORCVRAC-OAHLLOKOSA-N 275.461 4.763 30 10 CJEE C=CCOc1ccc(CN[C@@](C)(CC)c2ccccc2)cc1 730817730 STVUUCJESSCONP-FQEVSTJZSA-N 295.426 4.666 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)[C@H](CC)c1ccccc1 1124873444 LLVLFRCRNUYUFB-QGZVFWFLSA-N 287.447 4.979 30 10 CJEE CCCCCCCCN(C)Cc1scnc1Cl 1137821386 MTNNURWRHXOZDH-UHFFFAOYSA-N 274.861 4.589 30 10 CJEE C=CCCCC[C@H](C)Nc1cccc([C@H](C)C(=O)OC)c1 1206270156 KAWKRODQGWWDAL-GJZGRUSLSA-N 289.419 4.510 30 10 CJEE C=CCC[C@@H](Nc1nc2ccccc2o1)c1ccccc1 1307078306 XXPYWGKVVCFIMX-OAHLLOKOSA-N 278.355 4.947 30 10 CJEE C=CC[C@H]1CCN1Cc1ccc(Oc2ccccc2)c(F)c1 1308140643 MPSPIAIWRPQWRJ-INIZCTEOSA-N 297.373 4.768 30 10 CJEE C=CCC1(NCc2ccc3c(c2)CC(C)(C)O3)CCCCC1 1308403965 LIDUQURRWOQYLH-UHFFFAOYSA-N 299.458 4.769 30 10 CJEE C=CCCCCNC(=O)Nc1cc(SC)ccc1Cl 1310990491 RFRJJYPKEOLISY-UHFFFAOYSA-N 298.839 4.540 30 10 CJEE C=CCC1(C(=O)NC2CCC(CC)(CC)CC2)CCC1 1436112905 JQLRYKVNPJJPSL-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=C(C)CCSc1nc(C(F)(F)F)nc2ccccc12 1458860536 XYUVQMQCTXAMFH-UHFFFAOYSA-N 298.333 4.707 30 10 CJEE C=CCCCCCCNC(=O)c1coc2cc(C)c(C)cc12 1459913035 DLVYYDIBXHFIMY-UHFFFAOYSA-N 299.414 4.916 30 10 CJEE C=CCCCCN(C)[C@H](CCc1ccccc1)C(F)F 1460571240 BNTHTULBLJZKNN-MRXNPFEDSA-N 281.390 4.541 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ncccc1OC(C)C 1462108541 ZWZJLOWGBPGHSW-OAHLLOKOSA-N 276.424 4.806 30 10 CJEE C#C[C@H](NC[C@@H]1CCC[C@H](CC)C1)c1ccc(Cl)cc1 1462303341 GATZVSORFPOHFI-DAYGRLMNSA-N 289.850 4.820 30 10 CJEE CCCCCCCN1CCCC[C@@H]1c1cccn1C 1473217031 IRFIBMCUTCQRBE-QGZVFWFLSA-N 262.441 4.523 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCO[C@H](C(CC)CC)C1 1474396690 MTIDMHWTBNJQLX-KSZLIROESA-N 281.484 4.695 30 10 CJEE C=C1CCC(CNCCc2ccc(C(C)C)cc2)CC1 1474700998 BAPQGJYWBJXKQU-UHFFFAOYSA-N 271.448 4.689 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1520010497 BQWDHNHJYAUIMR-GDAAHCPNSA-N 297.442 4.636 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1ccsc1Cl 1521555757 HNWJNGZYHLMXPD-UHFFFAOYSA-N 297.851 4.610 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 1521667886 GBROLPVJIRMSQR-SRCQZFHVSA-N 291.822 4.510 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(Cl)cc1F 1524524873 AMRVMCWDKRFOQJ-UHFFFAOYSA-N 297.801 4.736 30 10 CJEE C=CCCCCCCCNC(=O)/C(C)=C/C(C)(C)C 1524536630 AJCLKGGNEUAEIB-CCEZHUSRSA-N 265.441 4.622 30 10 CJEE C=CCCC[C@H](C(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 1524900213 BCYMEWHIRJLARG-FHWLQOOXSA-N 297.442 4.670 30 10 CJEE C=CCC(F)(F)C(=O)Nc1ccc(C(C)(C)CC)cc1 1525389130 AMVHWIAYYYSCAK-UHFFFAOYSA-N 281.346 4.524 30 10 CJEE C=CCCCCCN(C)C(=O)C/C=C\c1ccc(C)cc1 1530308690 FRILEBNWGFPLLT-KTKRTIGZSA-N 285.431 4.603 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccccc1C)C(C)(C)C 1532345214 STPOHHBZRLKWJY-QGZVFWFLSA-N 273.420 4.555 30 10 CJEE N#CC1(CSc2cc(Cl)ccc2F)CCCC1 1559410332 DAYRFKWRGRNGMX-UHFFFAOYSA-N 269.772 4.655 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](CC)CCCC)CCCC1(C)C 1586318827 BTDFHBMHKSCLEK-JKSUJKDBSA-N 279.468 4.796 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc(C2CC2)oc1C1CC1 1588040450 RFJFETWNIWSZAL-UHFFFAOYSA-N 287.403 4.509 30 10 CJEE C=CC1(CC(=O)N2CCC[C@H]3C[C@H]2C3(C)C)CCCCC1 1616237018 ARIWNTMUFVMFCU-HOTGVXAUSA-N 289.463 4.550 30 10 CJEE C=CCCC[C@@H](C(=O)OCc1cc(C)co1)c1ccccc1 1616267368 IOBBIORFADTZHO-GOSISDBHSA-N 298.382 4.771 30 10 CJEE C=CCC[C@@H](NCCC1CCCC1)c1ccccc1 1616739358 XZWHCEIAMIHKEN-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCSc1cccc(Cl)c1 1620441676 WTIDYYOGLYCZCY-GASCZTMLSA-N 293.863 4.615 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2CCOc3ccccc32)CCCC1(C)C 1621291475 XFIQWUPVMKAQLD-LPHOPBHVSA-N 299.458 4.619 30 10 CJEE C=CCCCCN1CCC(c2cc3ccccc3[nH]2)CC1 1641649240 CBZBPSOEQBZIEY-UHFFFAOYSA-N 282.431 4.704 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cc2ccccc2s1 1652215403 IGWILXODVXGWGU-STQMWFEESA-N 259.418 4.907 30 10 CJEE C=CCCCCN1CC[C@H](c2ccc(F)cc2)C1(C)C 1655287592 LCVMZGNTVWWWTC-QGZVFWFLSA-N 275.411 4.750 30 10 CJEE C#CCC1(NCc2ccc(-c3ccc(F)cc3)s2)CCC1 1658045902 XSBGIHDOGVXFNP-UHFFFAOYSA-N 299.414 4.590 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@@H](CC)C2)c(Cl)c1 1665798677 BEHBISSUBCNLSX-OCCSQVGLSA-N 261.796 4.702 30 10 CJEE C/C(=N\OCc1ccccc1Cl)c1ccc(C)cc1C 1857935366 DQAHGLONTUXJPW-XMHGGMMESA-N 287.790 4.898 30 10 CJEE C[C@@H]1C[C@@H]1CCC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 1876928953 NHKNEMZWGKPZEG-NRUUGDAUSA-N 296.197 4.606 30 10 CJEE CCCCC[C@@H](CC)N(C)C[C@](C=O)(CC)C(C)C 1879156243 DOWNICYJCYRKIA-SJORKVTESA-N 269.473 4.528 30 10 CJEE CC#CCCCC(=O)c1ccc(SC(F)(F)F)cc1 1879661456 SKDOPSMXUYGUPL-UHFFFAOYSA-N 286.318 4.675 30 10 CJEE CCCCCC#CCN(Cc1ccccc1)[C@@H](C)CC 1884062384 HKRWKNLHFGYINE-SFHVURJKSA-N 271.448 4.871 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2C[C@@H]3CC[C@@H]3C2)CCC1 1885971462 RSKXXQAVKBAOJZ-YYIAUSFCSA-N 261.453 4.537 30 10 CJEE C=C(CC)CC(=O)c1c(Cl)cc(F)cc1Cl 1901872764 BEIDEACIDCIZOA-UHFFFAOYSA-N 261.123 4.672 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(Cl)cc1Cl 1903138792 FXUXOVCJDCJGPX-LBPRGKRZSA-N 258.192 4.596 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2CC[C@H]1C21CC1 1906943071 HLIKEPGDGJGEOJ-BRWVUGGUSA-N 263.469 4.857 30 10 CJEE CCC[C@@H](N=C1N[C@H](C(C)(C)C)CS1)c1cccs1 1911974588 HRWCFLQRWNOWCG-YPMHNXCESA-N 296.505 4.696 30 10 CJEE CCCCCCC[C@@](C)(N)Cc1cccc(Cl)c1 1919505409 ROJHFTNLDZDYSO-MRXNPFEDSA-N 267.844 4.960 30 10 CJEE CCCCCCC[C@](C)(O)c1cccc(OCC)c1 1919903833 JYLOOXFLBRUBJJ-KRWDZBQOSA-N 264.409 4.653 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(SC)s2)C1 1921071166 OHLVCBAONFRWJL-DFBGVHRSSA-N 295.473 4.614 30 10 CJEE CO[C@H](C[C@@]1(C=O)CCCC12CCC2)C1CCCCC1 1921626198 ZEJXWYMMCBRSGR-SJLPKXTDSA-N 278.436 4.511 30 10 CJEE C=C([C@H](CC(C)(C)C1CC1)NCCC)[Si](C)(C)C 1922866839 BDEOLWYGDRTADV-HNNXBMFYSA-N 267.533 4.615 30 10 CJEE CCCCCCCCCC1CCC2(CC1)CNC2 1923291941 LKNXVGJYVNMGCX-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE C=C([C@@H](NCCC)[C@H](C)C1CCCCC1)C(F)(F)F 1924078674 OGFNFZLXQRBBOS-RISCZKNCSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](C)C2CCCC2)CC1 1924091776 BXPDRCJIYVJOPX-MAUKXSAKSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(N(Cc2ccccc2)C2CCCC2)cc1F 1932027349 MAICBPOZGUGLEM-UHFFFAOYSA-N 294.373 4.647 30 10 CJEE CCCCCCCCNCCSC1CCCC1 1944175498 KLPAXXNONTTXEA-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE COc1ccc(C(=O)C=Cc2sccc2C)c(Cl)c1 1951318920 QFNRIHFFCWUFLJ-UHFFFAOYSA-N 292.787 4.615 30 10 CJEE CCCC[C@](C#N)(CC)CCOCc1ccccc1 1953632763 OGBUGEQVMFLEQB-QGZVFWFLSA-N 259.393 4.703 30 10 CJEE C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 1962988470 LEUXUQXZNQAOKG-NVBFEUDRSA-N 297.229 4.726 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]2CCCC[C@@H]2C1 1967722155 IBAKYQVRBPUAEL-SFFUCWETSA-N 261.453 4.680 30 10 CJEE C=CCCCC[C@@H](N)c1cc(Cl)ccc1Cl 1984513603 VVOZGKTXSRXHDT-CYBMUJFWSA-N 258.192 4.740 30 10 CJEE C=CCCCC[C@H](NC)c1cc(Cl)sc1C 1984515993 MAYZVPBQNMLRHO-LBPRGKRZSA-N 257.830 4.717 30 10 CJEE CCCCCCCC[C@H](N)c1nc(Cl)cs1 1991516314 CVMOVBGBXNUPKB-JTQLQIEISA-N 260.834 4.547 30 10 CJEE C=CC1(C[C@@H](O)c2cccc(Cl)c2Cl)CCC1 2002627155 FQPIMEJOXMCQEN-GFCCVEGCSA-N 271.187 4.773 30 10 CJEE C=CC1(C[C@@H](N)c2cccc(C)c2Br)CCC1 2002638339 HVSDBYAJWQUHSF-CYBMUJFWSA-N 294.236 4.504 30 10 CJEE C=CC1(CC[C@@H](N)c2ccccc2Br)CCC1 2003683672 QQQYBYBFCHDOCI-CQSZACIVSA-N 294.236 4.585 30 10 CJEE CCC#CC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2005831045 GFALTGBYPKZJSD-LLVKDONJSA-N 290.621 4.711 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(Cl)s2)cc1 2008096536 FDFODIDBVCDNLI-SNVBAGLBSA-N 261.777 4.556 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H](C)C(F)(F)F 2008581223 NDIKYLSBFLZPRF-NWDGAFQWSA-N 254.336 4.686 30 10 CJEE CC(C)C(C[C@@]1(C#N)CCS[C@H](C)C1)C(C)C 2015388637 WPMIFXVRBKEOCJ-UKRRQHHQSA-N 253.455 4.730 30 10 CJEE C=C[C@H](Nc1nc(Cl)c(Cl)cc1Cl)C1CCC1 2020956178 PTYXTNJZGPWCOU-JTQLQIEISA-N 291.609 4.808 30 10 CJEE C=CCCCCCC[S@](=N)(=O)C1CCCCC1 2026025689 ZEEHGKBSXRDTCQ-KRWDZBQOSA-N 257.443 4.502 30 10 CJEE C=C(C)CCCNC(c1cccs1)c1cccs1 2027882963 YOXNSTNQQXXMPK-UHFFFAOYSA-N 277.458 4.845 30 10 CJEE Cc1ccoc1CSC[C@H](C#N)C1CCCCC1 2028941947 MTDATLLGRYGALF-AWEZNQCLSA-N 263.406 4.541 30 10 CJEE CCCCCCCCC[C@H](CNC1CC1)C1CC1 2029231650 XRSAJMUHCSHLNA-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2031828288 RBRYQZUNKYPVHD-TWMKSMIVSA-N 251.458 4.639 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1cc(Cl)ccc1F 2032105526 VIEIUIYKQPDRAL-OAHLLOKOSA-N 265.759 4.742 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCCCC1(F)F 2034914031 NUTXAXPCNZMOGE-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H]1CCSc2ccccc21 2035365215 YFYIZGICDVYJGG-HIFRSBDPSA-N 261.434 4.558 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(O)c1Cl 2037040639 UOAVVGRIAAPPMP-ZDUSSCGKSA-N 269.816 4.796 30 10 CJEE C=CCCCCCC[C@@H](CC(F)(F)F)NCCC 2038177682 HUDYSESRFCONRU-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2040532201 COUZERCUDHJTLB-YMTOWFKASA-N 290.209 4.909 30 10 CJEE C[C@]1(C[C@]2(C#N)CCC23CCC3)CCCC1(F)F 2048990018 GMSPADWHMOTSJC-OCCSQVGLSA-N 253.336 4.676 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1CCCCC(F)(F)C1 2049786812 QBMUNQATHJMTID-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C[C@@H]1C[C@@](C#N)(CC2CCC3(CC2)CC3)CCS1 2049964371 NHWSHBLNKWVAHF-CZUORRHYSA-N 263.450 4.772 30 10 CJEE C=CCC[C@H](C)C[C@H](NCC)c1ccc(Cl)cc1 2050530400 MYPCSHCESNEHEK-BBRMVZONSA-N 265.828 4.983 30 10 CJEE CCCCCCCCCNC[C@](C)(F)C(C)(C)F 2052870055 HHSMMOAMYGSXKY-HNNXBMFYSA-N 263.416 4.803 30 10 CJEE C=C[C@@H](C)C[C@@H](CC1CCC(C)(C)CC1)NCC 2053067114 OXNDAKSZPHNWDE-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE C=CC1(Nc2ccc(C#N)c(Cl)c2)CCCCC1 2057944513 FBSAPMZIHJFSRU-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE C=CC1(NCc2ccc(Cl)c(C)c2)CCCCC1 2057946508 CAHOQBQKHAGPLK-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE CCCCCCCCCn1cnc(C(F)(F)F)c1 2063216652 HBHHOBHAGSGAGU-UHFFFAOYSA-N 262.319 4.653 30 10 CJEE CCCCCCCCC1(CN)CC2(C1)CC2(C)C 2064007171 CNLTZFNCHCRQAI-UHFFFAOYSA-N 251.458 4.892 30 10 CJEE CC(C)C(CC[C@]1(C=O)CCCC12CC2)C(C)C 2068949617 WBWGEXQZMGCHFC-KRWDZBQOSA-N 250.426 4.844 30 10 CJEE CCCC1(COc2cc(Cl)ccc2C#N)CCC1 2069282539 LQUKNCAKYPUZRM-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H](C)OC(C)(C)C)C1 2072138009 DSRKSBZGJAPGDO-IIAWOOMASA-N 251.414 4.690 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@H](C)CC(C)(C)C 2075360005 KCVNYQJCQNTGKL-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H](CC)C(C)C 2075373711 RFDKVYZUJOTULO-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H](C)CC(C)(C)C 2083432532 BEFPITVYBKDNCA-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE C=CCCCCCC[C@]1(O)CCCc2sccc21 2085846933 KKALOZHDKYGEDH-INIZCTEOSA-N 264.434 4.799 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@](C)(F)C(C)(C)F 2085852875 WVEMVZMYHHGOKP-UKRRQHHQSA-N 261.400 4.577 30 10 CJEE C=CCCCCCN[C@H](C1CCCCC1)C(F)(F)F 2087342111 PMIPHYDZIDGPFK-CQSZACIVSA-N 277.374 4.834 30 10 CJEE CCCCCCCCC[C@]1(N)CCC[C@H]2CSC[C@@H]21 2087838196 BHPYUFFNJRVTBA-ULQDDVLXSA-N 283.525 4.988 30 10 CJEE CC(C)(C)C1CCC(Oc2ccc(C#N)cc2)CC1 2088456793 TVFHINZLOKBHFZ-UHFFFAOYSA-N 257.377 4.542 30 10 CJEE C=C(C)CCOc1cc(Cl)ccc1CNC(C)(C)C 2090127748 YPQNQBAZUXUPDX-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CC(C)CCCCCCN=C1N[C@@H](C)C(C)(C)CS1 2090539962 YJMUUBQGFWHQOW-AWEZNQCLSA-N 284.513 4.700 30 10 CJEE CCCCCCCCC(=O)[C@H](O)c1cccc(Cl)c1 2090849294 HWNBJWPPFVBNQH-MRXNPFEDSA-N 282.811 4.693 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](O)CCCC 2092187029 DDBVFTLLCIMGSD-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=CC[C@@H](CCSC1CCCCC1)CNCC(C)C 2092707640 SCQAGHPJAFMYAI-INIZCTEOSA-N 283.525 4.880 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCC1(C)CC1 2093459439 GTFYANXNRGGJQH-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CCC[C@@H]1CCC 2096627616 KTVIOLUILIFEPT-RDJZCZTQSA-N 268.441 4.637 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CC23CCCC3)CC1 2097326828 ONRCXUOHQZLVFD-SJORKVTESA-N 261.453 4.681 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@](C)(CC)O1 2097689689 HIHLMSWSSZQZOJ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](O)c1cn(C(C)C)cn1 2098085284 APKXRAYFWFMBRZ-MRXNPFEDSA-N 266.429 4.638 30 10 CJEE CO[C@@H]1CCCC[C@@H]1[C@@]1(C#N)CCCC(C)(C)CC1 2100878584 BLHXBLNQYKTAHJ-UXLLHSPISA-N 263.425 4.692 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cccc(SC(F)(F)F)c1 2102103840 DIWKBXYCNCDCTK-ZWNOBZJWSA-N 289.366 4.901 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(CNCCC)c(Cl)c1 2102107505 VMDALNICDHHZHZ-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1snc2ccccc12 2103682814 GPHCQLMCGLVQKV-OAHLLOKOSA-N 274.433 4.693 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccccc2C2CC2)CC1 2104065698 MEXZYUJHHNECBR-GOSISDBHSA-N 256.389 4.734 30 10 CJEE N#Cc1cc(Cl)ccc1NC1(C2CC2)CCCCC1 2104869210 XLUXXIMGTWQELT-UHFFFAOYSA-N 274.795 4.736 30 10 CJEE C=CCCC[C@H](NC)c1ccc(Cl)c2cccnc12 2107899436 YXZDBZHHEKEFEC-HNNXBMFYSA-N 274.795 4.505 30 10 CJEE C#CCC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2107917689 RRRLSWXUQHCGTM-AWEZNQCLSA-N 289.831 4.742 30 10 CJEE CCCN[C@@H](CC#CC1CC1)C1(C)CCCCCC1 2108010167 VMRMGJGNIPFGDS-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)C1CCC(CCC)CC1 2111311595 BVBREDQMZQJFOG-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C=CC1(CN(C)[C@@H](C)C2CCC(C)(C)CC2)CCC1 2112185119 GJQBAQXFQBYUBZ-HNNXBMFYSA-N 263.469 4.879 30 10 CJEE C[C@@H](CCS)CCN1CCCC[C@H]1C1CCCCC1 2115001740 NFSHBAWMDUTESQ-WBVHZDCISA-N 283.525 4.767 30 10 CJEE C#CCCCCC(=O)[C@@H](c1ccccc1)[C@H](C)CC 2116848751 XBSNQCMDURWSPI-CRAIPNDOSA-N 256.389 4.579 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1C[C@]1(C)C(F)F 2120824366 RKIUCJOICQVRAQ-YCPHGPKFSA-N 273.411 4.782 30 10 CJEE C[C@@H](CCC(F)(F)F)N(C)CC1(CS)CCCCC1 2121410075 TWCWWDHXSIMOBL-LBPRGKRZSA-N 297.430 4.530 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc(C(F)(F)F)o1 2123082141 BPTUTGABHOPGEN-LLVKDONJSA-N 275.314 4.695 30 10 CJEE C=C1CC(C[C@H](NC)C2CCC(CCCC)CC2)C1 2125736608 WQRAXMFDCKCAHZ-VJFUWPCTSA-N 263.469 4.927 30 10 CJEE C=C(F)C[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2126109653 JOQCMHUDUJNIOK-VQHPVUNQSA-N 267.432 4.834 30 10 CJEE C=CCCCC[C@]1(CNC(C)C)CCCC(F)(F)C1 2128423118 KOFDWUXWJNUNHX-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE C[C@H](C[C@]1(C#N)CCOCC1(C)C)C1CCCCC1 2133256035 SSCIDLQDZULCMC-PBHICJAKSA-N 263.425 4.549 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2134369838 NOAAUVLQXGICCG-AFFCQZHESA-N 262.437 4.988 30 10 CJEE C=CCCC[C@@H](Cc1cccc(C)c1C)NCCC 2138299713 BIERSGCXNGMLJZ-SFHVURJKSA-N 259.437 4.570 30 10 CJEE CCCCCC#CC[C@H](NC)C1(CC2CC2)CCC1 2138962326 FDKSRJNKBVFUNF-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@@H](NC)c1cscc1C(F)(F)F 2138984567 BNCOJVMIPHWTGJ-CYBMUJFWSA-N 289.366 4.611 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1C(C)=CCC[C@@H]1C 2138988298 UXDBSTROXCJLRC-OKZBNKHCSA-N 261.453 4.541 30 10 CJEE C=C(C)CC[C@@H](C)NCC1CC2(C1)CC1(CCC1)C2 2139214439 PXEHLRHECNUMMK-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE CCCC#CC[C@@H](N)c1ccc(-c2ccccc2)s1 2141248499 QSSZDDLWJCPSNC-OAHLLOKOSA-N 269.413 4.609 30 10 CJEE CCCCCCCCOC[C@H](NCCC)C1(Cl)CC1 2141554911 HYMULZNPKNFZSA-HNNXBMFYSA-N 289.891 4.503 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H]1C[C@@H]1c1ccccc1 2141910664 ZTZGWNAUAZARMO-FGTMMUONSA-N 257.421 4.644 30 10 CJEE C=CCCCCCC[C@H](N)C1(C(F)(F)F)CCCC1 2141921254 ITAJTRRYGWFLEQ-ZDUSSCGKSA-N 277.374 4.963 30 10 CJEE C=CCCCCCCCCC[C@@](C)(O)[C@@H]1CCCO1 2142433900 HHKUFIPPFHEDDS-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCCCNC1CC2(CSC2)C1 2142433978 XYHWZDWZDMEIHE-UHFFFAOYSA-N 281.509 4.778 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CCCOCC1 2142440334 RHRSIBGRERAHDQ-KRWDZBQOSA-N 268.441 4.615 30 10 CJEE CCCCCCCCC(=O)[C@H](CN)CC1CCCCC1 2145090802 MELWJGTUOBQLTA-KRWDZBQOSA-N 281.484 4.851 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H]2OCC[C@@H]21 2146032334 CYHMQEOWIIUORE-KSZLIROESA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)CC1CCCC1 2148584482 XAZDMZFOCBLNBZ-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](NC)[C@](O)(CCC)C1CCCC1 2148590967 WFHWOCHZLQPUMG-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NCC)C1(O)CCCC1 2148596181 PUMCJNQQCLZOGX-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@@H](C)CC(F)(F)F 2149857071 FACDJBSYJLRHHD-DZGCQCFKSA-N 289.385 4.527 30 10 CJEE CCC1(N=C2N[C@@]3(CCCC3(C)C)CS2)CCCCC1 2150541501 ICVCSTANCGRBOG-KRWDZBQOSA-N 294.508 4.741 30 10 CJEE CCCc1c(C23CCC(CC2)C3(C)C)sc(C#N)c1N 2150872038 JMDXDIKYWAYXGN-UHFFFAOYSA-N 288.460 4.622 30 10 CJEE CC[C@@H]1SC(=NC2CC(C3CCCCC3)C2)N[C@@H]1CC 2151212250 UFKCIVRPUNCZGY-FJBKBRRZSA-N 294.508 4.595 30 10 CJEE C=CCN(CCC)c1cc(Cl)ccc1[C@@H](C)NCCC 2151938001 WDVACXHLLKLJKM-CQSZACIVSA-N 294.870 4.803 30 10 CJEE C=C([C@@H](NCC)c1cc2cc(C)ccc2o1)C(C)(C)C 2152943482 OXZLDCLBPZCYOP-QGZVFWFLSA-N 271.404 4.994 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)c1 2154239954 ZQECETSWOUZNGI-KBAYOESNSA-N 268.404 4.638 30 10 CJEE CCCCCCCO[C@@H]1[C@H](NCCC)C[C@H]2CCC[C@@H]12 2156217669 RQIMJLXWEOPMIK-TVFCKZIOSA-N 281.484 4.530 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCCC(C)(C)CC1)c1ccccn1 2157117555 NMQCZRUQGYCBEA-MAUKXSAKSA-N 273.420 4.751 30 10 CJEE CCO[C@@H]1C[C@@H]([C@@]2(C#N)CCCC(C)(C)CC2)C1(C)C 2157120394 MBXXVJVGTQDOBV-RKVPGOIHSA-N 277.452 4.938 30 10 CJEE C=CCC[C@H](C)[C@H](Cc1ccc(F)cc1Cl)NCCC 2158321865 XZHFTAUQMUBYDX-GUYCJALGSA-N 297.845 4.992 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2158325372 WOFPMLLNOGODDM-OTJKEOIZSA-N 285.422 4.638 30 10 CJEE C[C@@H]1CCC[C@H](CN=C2NC3(CCCC3)CCS2)CC1 2159517397 GQRGAPMQMFUWMC-CABCVRRESA-N 294.508 4.598 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2CCC[C@@H]2C(F)(F)F)C1 2159595335 QRCWVMFDRPHEES-KBPBESRZSA-N 289.385 4.691 30 10 CJEE C=C1CC(CNC(C)(C)C)(Cc2cccc(Cl)c2F)C1 2159595943 YTUZZTQWEZLPFU-UHFFFAOYSA-N 295.829 4.746 30 10 CJEE CCCCCCCCCCN1CC[C@@]1(C)[C@H](C)NCC 2163598015 YNLYCRJTCDLKMZ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCOc1ccc([C@@H](C[C@@H](C)CC(C)C)NC)cc1 2164061178 NIBBHKNFXYQIQE-MAUKXSAKSA-N 275.436 4.584 30 10 CJEE CCCN[C@@H](CCCC1CCC1)c1cccc(C#N)c1 2164204242 OZDCOYRNFFMLFG-SFHVURJKSA-N 270.420 4.569 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ncc(Cl)n1C 2164261993 BVNLNZXAIVVIOS-CQSZACIVSA-N 299.890 4.865 30 10 CJEE C=CC1(C[C@H](NCC)c2ccc(C3CC3)cc2)CCC1 2168023573 MVBWUISNPKQBJK-SFHVURJKSA-N 269.432 4.961 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2CCCC[C@@H]2C(F)(F)F)CCC1 2168027952 ILOFYAKYIPYBHD-IHRRRGAJSA-N 289.385 4.690 30 10 CJEE C[C@@H]([C@@H]1CCC[C@@H](C)C1)N(C)c1cccc(Cl)c1C#N 2168521956 BMIKOLLDKLHLSM-HZSPNIEDSA-N 290.838 4.863 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=NC2CCCCCCCC2)N1 2168722685 SGDMIUQPGAKHFK-HNNXBMFYSA-N 296.524 4.987 30 10 CJEE CC(C)c1cccc(N=C2N[C@H](CC(C)(F)F)CS2)c1 2169537985 OLFRLFOXIFVMST-CYBMUJFWSA-N 298.402 4.548 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC=C(C)C)NCC 2171042484 OZDUYAWWVBINOK-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCC[C@@H](Cc1ccccc1C(C)(C)C)NCC 2174292166 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CCCCCCCCCCNC[C@]12C[C@H](CO1)C2(C)C 2359776424 FYWAMHYUOMYWCR-AEFFLSMTSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCCC(=O)O 2359968380 XEMFUSIOSQXFQG-VYDXJSESSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CCCC2)CC[C@@H]1NC 2360205648 ORNYSWGMCFPCGW-IRXDYDNUSA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)Sc1ccc(CN)c2ccccc12 2360207113 FRECXQXUCMJKBL-UHFFFAOYSA-N 283.440 4.911 30 10 CJEE C=CCC(CC=C)OC(=O)c1sc2ccccc2c1C 2360212766 KWVPFAUWCWVXPN-UHFFFAOYSA-N 286.396 4.887 30 10 CJEE CCc1ccc(C(=O)/C=C/c2cn(C)c3ccccc23)cc1 5797491 JRTQCDIEWHMRPJ-OUKQBFOZSA-N 289.378 4.637 30 10 CJEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccco3)o2)cc1 33368773 VPRFGCYDONNHDN-NTMALXAHSA-N 278.307 4.744 30 10 CJEE CCc1ccc([C@@H](C#N)Cc2ccccc2Cl)cc1 41390997 LHUJYCMUFQOXGD-MRXNPFEDSA-N 269.775 4.752 30 10 CJEE C[C@@H](N[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1 55018189 LNJFFAJYQDWPDS-CXAGYDPISA-N 284.790 4.646 30 10 CJEE CCc1ccc(OCCC[C@@H](C#N)c2ccc(F)cc2)cc1 57685555 OCRKRLHXSNIVFM-KRWDZBQOSA-N 297.373 4.854 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1cccc(Cl)c1 71389713 BQWCYFBHFMBDNS-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCc1oc(-c2ccccc2O[C@@H](C)CC)cc1CC#N 77076833 QXWDBVXRZOOFLC-ZDUSSCGKSA-N 283.371 4.752 30 10 CJEE CCCOc1ccccc1/C=N/Nc1ccc(Cl)cc1 82252059 RMMHGFGZYRVGOI-LDADJPATSA-N 288.778 4.575 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccc(F)cc2)c(C)cc1Cl 83194323 VCQYJXXXZFJBLF-VMPITWQZSA-N 288.749 4.992 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)CC1 86922577 WGDWITASYZMCTN-GOEBONIOSA-N 256.393 4.719 30 10 CJEE N#CC1(SC2CCCCC2)CC(c2ccccc2)C1 87147800 IKRJPUVWLBZKCD-UHFFFAOYSA-N 271.429 4.892 30 10 CJEE N#C[C@]1(CCCc2ccccc2)CCCc2ccccc21 87930141 GDVRVKXTFNSLQM-FQEVSTJZSA-N 275.395 4.807 30 10 CJEE Cc1c(CC2(C#N)CCC(C)(C)CC2)cccc1[N+](=O)[O-] 87940058 ODHHZYYEOYUFEX-UHFFFAOYSA-N 286.375 4.556 30 10 CJEE CCCC1CCC(C#N)(Cc2cccc(OC)c2)CC1 87959528 KJLWQYOBNHHMTM-UHFFFAOYSA-N 271.404 4.738 30 10 CJEE CC(C)C1CCC(C#N)(Cc2cccc(F)c2F)CC1 87959874 KVJCRAAMQMBDAN-UHFFFAOYSA-N 277.358 4.863 30 10 CJEE C[C@@H]1CCCC[C@H]1OCC1(CS)CCCCCC1 94583655 RRXJAKKMIFNIFO-HUUCEWRRSA-N 270.482 4.852 30 10 CJEE C=CCCC[C@H](CSc1cccc(F)c1)NCCC 97323465 YDFUGVCPBQHLGR-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE COc1ccc(/N=C/c2ccc(C(C)(C)C)cc2)cc1 100349773 JPACFPQWARGCCJ-CPNJWEJPSA-N 267.372 4.743 30 10 CJEE CCCCCCC[C@](C)(NC(C)C)c1nccs1 104444730 BEPFVEFOVVZOKX-HNNXBMFYSA-N 268.470 4.717 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(C(F)(F)F)ccc1OCC 107475062 BBVUOPITWVVVTD-RYUDHWBXSA-N 284.321 4.867 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1C)NC 109730471 IQGIEIRJGUATAF-SFHVURJKSA-N 261.453 4.876 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@@H](C)C1 109901122 NVPMYRPFMRQBNW-KGLIPLIRSA-N 261.434 4.955 30 10 CJEE Cc1cc(C)cc(N(C)c2ccc(Cl)cc2C#N)c1 110257476 YOWJDZQPOCXXFT-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CCCCCCCCC(=O)c1cnn(-c2ccccc2)c1 115855255 DHSPWKZQNQNUJY-UHFFFAOYSA-N 284.403 4.806 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC(C)(C)C)NN 122282175 CVVUMKAPERYFNN-CABCVRRESA-N 256.478 4.641 30 10 CJEE CCCCCCCCCn1cc2c(c1)C(=O)CCC2 124403301 KMIJERCRXJATGZ-UHFFFAOYSA-N 261.409 4.758 30 10 CJEE N#C[C@@H](CC1CCCCC1)Nc1cccc(Cl)c1 125223438 AZAIZHFPOHEOEG-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCCCCCCCCC[C@@H](N)CCc1ccccn1 143459390 INBMFRVZTYRTLW-QGZVFWFLSA-N 276.468 4.872 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CCCCS1 160882837 WLAJOXXQJDCTMY-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE CCCCCCCCc1ccccc1N1N=C(C)CC1=O 205174040 PQOVCILLNSCVBV-UHFFFAOYSA-N 286.419 4.702 30 10 CJEE CCCCCCCCOCc1ccccc1/C=C\C(=O)O 214847017 DDCOLDGYTVSKHS-SEYXRHQNSA-N 290.403 4.662 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)[C@@]1(C#N)CCC[C@@H](C)C1 218189450 IZLKAGWLMIXPSE-WKULXVSPSA-N 277.452 4.530 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(Cl)c1C 220540591 JAJOEKARFVKMBA-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCc3ccccc32)C1 222194809 BLRXGTLVAPXTOF-SUMDDJOVSA-N 282.431 4.548 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)Cc2ccccc2)C1 222209420 OGODHEJORXWHIX-NEWSRXKRSA-N 284.447 4.617 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 222218371 QQSQRXFCIHFCBG-IPMKNSEASA-N 284.447 4.583 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(C#N)cc1F 227112990 BSVDRDFTZQQIFT-QEORTHHSSA-N 274.383 4.570 30 10 CJEE C#C[C@@H](CC)N[C@H](c1cccs1)c1ccc(Cl)s1 229881992 KURSGWHTFBDDHH-IINYFYTJSA-N 295.860 4.554 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)(C2(C#N)CCC(C)CC2)C1 230794781 DGWOCGSKSGMJMR-JYSRZZCRSA-N 277.452 4.674 30 10 CJEE C=C(CC)C[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC 232151148 LLSUJHAXNRQTGC-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE CCCCCCCCCCCCC(=O)c1cn(C)cn1 232929528 UFXIXHZBBZTAGJ-UHFFFAOYSA-N 278.440 4.914 30 10 CJEE N#C[C@]1([C@@H]2C=CC=CC2)CC2=CCC(C(F)(F)F)=C[C@@H]2C1 250671541 UXQSYWKNCIVURX-FMKPAKJESA-N 291.316 4.857 30 10 CJEE CCCCCCCN1CCCC[C@H]1[C@H]1CCCCC1=O 250805670 FRFTZCIHILLKBZ-SJORKVTESA-N 279.468 4.571 30 10 CJEE CCCCCCCCCCN1C[C@H](C2CC2)NCC[C@H]1C 250840674 XPKCLOJZQLRWGB-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCO[C@H]1C 253044876 OMCULHXLHOQKMD-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253051380 VEYLQWMFEHEYTR-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CC(C)c1ccc(CCC=O)cc1-c1ccccc1 258546853 FXQQXTVFJOLFRW-UHFFFAOYSA-N 252.357 4.609 30 10 CJEE CSc1cccc(C2(C#N)CCCCC2)c1SC 260531817 NKYBAVYZKDKOHQ-UHFFFAOYSA-N 277.458 4.856 30 10 CJEE CC(C)(C)c1nc2cc(C3(C#N)CCC3)ccc2s1 260667821 UHMQFSXVDKDUQP-UHFFFAOYSA-N 270.401 4.539 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 311722189 UWCFNAJNVLJYCJ-FZMZJTMJSA-N 267.294 4.578 30 10 CJEE C[C@@H]1CCC[C@H](COc2c(C#N)oc3ccccc23)C1 312599454 SARFPPJEJVRWEO-OLZOCXBDSA-N 269.344 4.510 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C(C)C)CC2)cc1C 317364506 VDMDGOMMZAKKON-UHFFFAOYSA-N 272.432 4.877 30 10 CJEE CCCCCC[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380944455 OCGAUZWNNCKJOQ-QGZVFWFLSA-N 294.439 4.640 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](C)[C@@H]1CC 384312883 OZRQVBNTDKCQGB-CABCVRRESA-N 271.514 4.623 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)s1 384818131 DPRYCKNUIYQMEV-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C=CCCCCCCN[C@@H](C)CCCC(F)(F)F 385022969 DFUTVMVBVGTUPK-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE Fc1cc(Cl)ccc1OC[C@@H](CS)c1ccccc1 388306848 BOMKNMQJSNCRBJ-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CCCCCCC[C@@H](O)c1cc(F)c(F)c(F)c1F 395616756 QFWNPVLFSSMABS-LLVKDONJSA-N 278.289 4.637 30 10 CJEE Cc1cccc(CSC[C@H](C#N)C2CCCC2)c1 397247925 HUGBQUASJQEVRJ-INIZCTEOSA-N 259.418 4.558 30 10 CJEE C=C(C)CCO[C@@H]1CCCCCCCCCC[C@H]1O 402309767 JQFIZTVJCKZVJF-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C=O)CC[C@@H](CC)C1 402427840 FKICXZNVRHKAPP-AGIUHOORSA-N 264.331 4.751 30 10 CJEE C=CC[C@@H](CNCCC)C[C@@H](CC)CC(F)(F)F 402552456 GPUFQQWAFRRONC-CHWSQXEVSA-N 265.363 4.547 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CC1CCCCC1 464649666 NTNZCYYPRBTFBT-RDJZCZTQSA-N 277.452 4.550 30 10 CJEE CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 512633647 AJVDQBYZEMDSHQ-IFXJQAMLSA-N 296.389 4.808 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccc(C#N)cc1 526888994 KZZILQNIMBGQTG-HXUWFJFHSA-N 291.460 4.558 30 10 CJEE C#CCCCCC[C@@H]1CCCCC[C@H]1CNC(C)C 686691726 QPCTXVRVDRJQQY-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@H](CSc1cccc(C)c1)NCC 686696961 DXCAJSUQODVWQI-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]12CCC[C@@H]1OCC2 687390230 SUGJXYSYRKGAOX-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE C=C([C@@H](NCC)C1CC(C)(C)CC(C)(C)C1)C(F)(F)F 688324180 YTSRJPUNVBVZKA-CYBMUJFWSA-N 291.401 4.936 30 10 CJEE CC[C@H](CC(F)F)C[C@]1(C=O)CCC[C@@H](CC)C1 688767360 PBFPXQFUYNDXFX-NFAWXSAZSA-N 260.368 4.843 30 10 CJEE CC(C)(C)[C@H]1CCSC(=Nc2cccc(C3CC3)c2)N1 690148115 YNUGHMGDHAZRMO-OAHLLOKOSA-N 288.460 4.693 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CC2CCC1CC2 691774897 VMVIAXHSFKDMDO-UNGSAITNSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](CNCC(C)C)CC(C)(C)CC(F)(F)F 694043482 DIEWROKCAKXYNZ-ZDUSSCGKSA-N 279.390 4.793 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC(C)(C)C)NC 695960322 UUGSWRHMTPDBHD-CVEARBPZSA-N 271.489 4.512 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc3sccc23)c1 705107048 REYIYKQYBDTPNA-UHFFFAOYSA-N 265.337 4.874 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]1(C)CC1(C)C 705338174 WOCJFGDSVDOUQC-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE C=CC[C@H](C=C)OCCC(CC)(CC)CNC(C)(C)C 706719292 OAOKAZJPRYGWQP-INIZCTEOSA-N 281.484 4.718 30 10 CJEE C=C(C)CCOC[C@@H](NCCC)c1ccc(F)cc1Cl 708934473 YUIFTUUWBPDTDX-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCc1ccc(CC)c(NCCCCC(C)(C)C#N)c1 709725444 UYKUPUGOLPDQPJ-UHFFFAOYSA-N 272.436 4.943 30 10 CJEE CCCCCCCCC[C@@H]1[C@H](NC)CCN1[C@H](C)CC 712034861 TWJDUOYQAHVATP-KZNAEPCWSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)Nc1c(Cl)cccc1C(F)(F)F 715038409 IKMQZZPOBWOTQO-QMMMGPOBSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc2cc(C)ccc2o1 715703293 GPFFEBBTIUTOBJ-KBXCAEBGSA-N 271.404 4.994 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 715704970 LBRZFCKYYVOFOH-YGRLFVJLSA-N 289.316 4.707 30 10 CJEE C=CC[C@H](C)[C@@H](CCCc1cccs1)NCCC 715767783 FBDKTZMUBLXYIB-GOEBONIOSA-N 265.466 4.651 30 10 CJEE C=CCCC(C)(C)NCC1CCC(C(C)C)CC1 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CC(C)(C)[C@H](CC(=O)CC#CC1CCCCC1)C(F)F 2167715037 RDURSPLLKIMIMG-OAHLLOKOSA-N 284.390 4.847 30 10 CJEE CCCCCCCCCN1C[C@H](NCCC)CC1(C)C 2171999760 OJYABKVXYYDZPV-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE N#C[C@]1(c2ccnc(C(F)F)c2)CCCCC12CCC2 2173630984 ZNPURQJMIQJOTI-INIZCTEOSA-N 276.330 4.525 30 10 CJEE O=C[C@@]1(Cc2c(F)cccc2Cl)CCCCC12CCC2 2173673498 OVFIPRSAIIDLAF-KRWDZBQOSA-N 294.797 4.951 30 10 CJEE CCCN[C@]1(C#N)C[C@H](CC)C[C@H](SC[C@@H](C)CC)C1 2175413094 LJNPMVPHCXVVDL-VVLHAWIVSA-N 296.524 4.606 30 10 CJEE N#C[C@@]1(C[C@@H](F)C2CCCC2)CCCc2ccccc21 2178219277 MJTIUALPNFBYES-MSOLQXFVSA-N 271.379 4.703 30 10 CJEE C=C(Cl)CO[C@@H]1CCCC2(CCCCC2)[C@@H]1NCCC 2178557533 WCKDNTJBWOYEFS-HZPDHXFCSA-N 299.886 4.627 30 10 CJEE CCC1(CC)CC(N(C)C[C@@H](CS)c2ccccc2)C1 2179351620 WNSVGFRMTVUFGF-INIZCTEOSA-N 291.504 4.601 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc(OC(C)C)cc1 2179676492 GJSPZNOBKHFCGK-GOSISDBHSA-N 275.436 4.871 30 10 CJEE C[C@@H](Oc1cccc(Cl)c1)C(=O)C1=CCC(C)(C)CC1 2181634617 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CCCCCCCC[C@H](C[C@H]1CC12CCOCC2)NC 2198164013 MOBOIURJJZLICD-DLBZAZTESA-N 281.484 4.532 30 10 CJEE C#C[C@@H](N[C@@H](CC)c1cccc(Cl)c1)C1CCCCC1 2203802865 OGHHBPIRFPBSHD-MSOLQXFVSA-N 289.850 4.963 30 10 CJEE CCCC#CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 2203819952 ROSXCYQMBLLTKD-KSZLIROESA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@H](NC)c1cc2c(s1)CCCCC2 2203823728 PVPGZJYSDKQGNM-INIZCTEOSA-N 289.488 4.861 30 10 CJEE CCCCCCCC[C@@H](NC)c1nc(C)c(C)n1CC 2205930956 SYAUOUQZELNAJA-MRXNPFEDSA-N 279.472 4.531 30 10 CJEE C=CCCCCCCCCCN1CCC[C@]1(C)COC 2207375830 VTYFLOSHCLGCHS-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCC(=O)[C@](C)(O)C1CCC1 2207376410 XKRIDWGPSUVUSD-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@H](C)CCOC 2207402443 JYLXIKZVGWMCCC-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1C[C@H](C)O[C@H](C)C1 2207411210 STBPUWFXUVBGEN-XMTFNYHQSA-N 282.468 4.858 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)c1cnns1 2207411485 ULBHGQZBBHSIET-OAHLLOKOSA-N 295.496 4.886 30 10 CJEE C=CCCCCCCCCC[C@@H](NCC)C(C)(C)CN 2207414799 PYEBUXKYIQWTFI-QGZVFWFLSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cncn1CCC 2207426046 WYBPIAKKZUHKKY-MRXNPFEDSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ncccc1CC 2207427865 RJAVHAAIWSYQMH-QGZVFWFLSA-N 274.452 4.951 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ncc(Cl)n1C 2207429508 KBZIULNCHGVVCQ-AWEZNQCLSA-N 298.858 4.804 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1C(C)(C)C 2207431566 GRKDUKFJGDZDSZ-ULQDDVLXSA-N 280.500 4.807 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@](C)(O)CCCCC 2207438049 ONRNTMCNSUQBKD-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H]1CCCO1)NCC 2207438652 SFZIMUFMWWAZHO-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN[C@H]1CC[C@@H](OC)CC1 2207446303 FLINQZRKCVAUAK-HDICACEKSA-N 281.484 4.840 30 10 CJEE CC1(C)CCC(C=O)(C[C@]2(Cl)CC2(C)C)CC1 2216097612 RBHMYPGTAZYMJU-OAHLLOKOSA-N 256.817 4.570 30 10 CJEE C=CCCCCCCC[C@H](CCC(C)(C)C)NN 2220084091 JUXPTFWCEHEQDX-OAHLLOKOSA-N 254.462 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(F)(F)C(C)C 2220088138 URGRWGCTAMPYDZ-CQSZACIVSA-N 261.400 4.782 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H](C)S1 2220098193 VDEXARNQZQXCCU-HOTGVXAUSA-N 269.498 4.729 30 10 CJEE CC#CCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2222036020 ADCQIUSUHBXICF-OAHLLOKOSA-N 284.230 4.751 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1nc(C)c(C)s1 2227268109 MMNSIVQQJYOJAG-OAHLLOKOSA-N 280.481 4.937 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCO[C@H](CCC)C1 2227271015 IINKDNGJDCCUTL-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2227274974 WJAZJZRNBMRLLN-LXTVHRRPSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 2227290974 MKUPJSRXBYYCMI-ZOBUZTSGSA-N 264.409 4.794 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(Cl)c(OC)c1 2227590359 UNBVQDBZHHURMG-QWHCGFSZSA-N 281.827 4.744 30 10 CJEE C=CC[C@@](C)(Nc1cc(C)c(Cl)cc1N)C(F)(F)F 2228660146 XCZWURQMHLWJRM-GFCCVEGCSA-N 292.732 4.540 30 10 CJEE CCCCCCCCCCOc1nc(Cl)ncc1C 2231021073 YKUUPKGSNNFNSQ-UHFFFAOYSA-N 284.831 4.958 30 10 CJEE C=CC1(C[C@@H](N)c2ccc(C3CCC3)cc2)CCC1 2231690296 PUNJQGANXRTCEO-QGZVFWFLSA-N 255.405 4.700 30 10 CJEE CCCCCCCC[C@H](C)NCC(C)(C)C(C)(C)O 2231946898 UGNORIKDVGFVLW-HNNXBMFYSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(Cl)cnc1OC 2232986681 ZPHVEWLMGBVRBG-HNNXBMFYSA-N 298.858 4.755 30 10 CJEE C=CCCCCCCCCOc1cc(F)c(F)cc1N 2234035259 LMQPGNMZJPOUQM-UHFFFAOYSA-N 283.362 4.843 30 10 CJEE C=CCCCCCCCCO[C@@](C)(CC(C)C)C(=O)O 2234039179 ZFJJUTKSUDVFPK-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCCOC[C@H](NCCC)C1CCCCCC1 2234040319 FWFYVLKJHVNBNC-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1Cc2ccccc21 2235526430 KUIJAGBDUAMWCA-RTBURBONSA-N 271.448 4.831 30 10 CJEE C=CCCCCCCCSc1ccc(CC(=O)O)cc1 2235537983 GAWULFHHRRFILQ-UHFFFAOYSA-N 292.444 4.932 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cccc(Cl)c1F 2235539764 QUMIJHWSNLXMSX-HNNXBMFYSA-N 298.833 4.900 30 10 CJEE CCCCCCCC[C@@H](C[C@]12COC[C@H](C1)C2)NCC 2236297236 WOSSMXVTEOZLHT-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)c1cnsc1 2239491697 CYGSKNYKWOXTOQ-MRXNPFEDSA-N 298.496 4.561 30 10 CJEE CC(C)CC1(C(=O)C#Cc2cccc(Cl)c2)CCCC1 2239558916 LOHCYTAQXCMVCF-UHFFFAOYSA-N 288.818 4.867 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1ccc(C(C)(C)C)cc1 2240174265 YRJJTRDOPXSQQZ-XJKSGUPXSA-N 271.404 4.597 30 10 CJEE CC[C@H](C)NCc1ccc(S[C@@H](C)C(C)C)c(C#N)c1 2240289172 LOPYZJMRCAXHJG-KBPBESRZSA-N 290.476 4.583 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1ccc(C2CCC2)cc1 2240387592 WFZZZWYFFKTTRB-ZWKOTPCHSA-N 271.404 4.563 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC1CCCCC1 2240653282 FCLLSJAMPJWQSL-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cccc2ccoc12 2241193696 APZMLTRJXTUMQL-MRXNPFEDSA-N 269.388 4.523 30 10 CJEE C(#CC1CCCC1)CN(Cc1ccccc1)C1CCCC1 2242233843 YKPZCTSNBWBHHE-UHFFFAOYSA-N 281.443 4.625 30 10 CJEE Cc1ccccc1SCCCCCCCS 2245905113 UVGHNMNOFGGEOT-UHFFFAOYSA-N 254.464 4.967 30 10 CJEE CCCCCCCCC[S@](=N)(=O)C1C[C@@H]2C[C@H]2C1 2257885946 JLSBVDXRGLYKSU-DEYYWGMASA-N 271.470 4.582 30 10 CJEE C=CCCCCCCCSC[C@@H](N)C1CC(C)C1 2259072022 RBTOEBVBTOSILH-UYSNPLJNSA-N 269.498 4.620 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ncc(SC)s1 2259240282 YWAIFUJEOBVSQT-LBPRGKRZSA-N 284.494 4.652 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cscc1Cl 2262405809 QCJMEFSMFOCFAH-AWEZNQCLSA-N 287.856 4.554 30 10 CJEE C=CCC[C@H](C)C(=O)c1sc(C(F)(F)F)cc1C 2263445126 ABZIJYNVNINTAL-QMMMGPOBSA-N 276.323 4.860 30 10 CJEE CC[C@H](C(F)(F)F)[C@@]1(C=O)CCCCC12CCC2 2263935639 BXWAUZAXDJPFGQ-AAEUAGOBSA-N 262.315 4.505 30 10 CJEE CC[C@H]1CC=C(C(=O)C2(C)CC(C(F)(F)F)C2)CC1 2264632055 XHDCPKXUHDPCLB-JKDOVBDQSA-N 274.326 4.671 30 10 CJEE C=CCCCCCC[C@H](N)c1cc2cccnc2s1 2265460831 PZFXVOQSIZPRRS-AWEZNQCLSA-N 274.433 4.823 30 10 CJEE COC[C@]1(C)C[C@@H]1C[C@@]1(C#N)CCCC(C)(C)CC1 2269232329 SIYRWVAWPPOJSE-HYVNUMGLSA-N 263.425 4.549 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](CC)CCOC 2271780507 GOKJYMFMYQUXIS-SJORKVTESA-N 269.473 4.554 30 10 CJEE CCCCCCCCN(C)C[C@@](C=O)(CC)CCC 2272102387 VOXUFWAHUVNEQG-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE CC(C)CCC[C@H](C)CCN[C@@H]1CCCC[C@H]1C#N 2272244281 BCPNUZBBGBEKHN-YESZJQIVSA-N 264.457 4.511 30 10 CJEE C=C[C@H](C)CCN[C@@H]1CCCC[C@H]1C1CCCCC1 2273029685 BCVBWQINXRRMLJ-RYQLBKOJSA-N 263.469 4.927 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1c(Cl)cccc1Cl 2274051969 ZQLROUPPDANOPE-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@@H](CC)C(C)C 2276152354 JRTNHRFLCVDYBK-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@](C)(CCC=C(C)C)OCCN 2276760416 BIWFTYVULJHEBF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@@H](CC(C)C)O1 2278125609 VTTZVNQVLBDGGY-SJORKVTESA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@H](COC)C1 2278249032 ZYUWCVHIXUSGSF-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CN(CC1CC2(CCCC2)C1)c1ccc(C#N)c(Cl)c1 2280009274 KJINXEQMMJACHA-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(Cl)cnc1OC 2281508121 JIODORFYCADSLE-MRXNPFEDSA-N 299.842 4.702 30 10 CJEE C=C(C)CCOc1cc(C)c(CNC(C)(C)C)c(C)c1 2282964383 LNQPRCDXUZFNBY-UHFFFAOYSA-N 275.436 4.537 30 10 CJEE CCc1ccsc1[C@@H](O)[C@]1(C#N)CCCCC12CCC2 2283086669 DZXUQFILRNOYCW-NVXWUHKLSA-N 289.444 4.598 30 10 CJEE CCCN[C@H]1C[C@H](CC=CC#CC(C)(C)C)C[C@@H](C)C1 2284070345 FGPOPBJNZNVYKF-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCNC1CC(C2CCCCC2)C1 2284108697 WHOJMNUITNBRNQ-UHFFFAOYSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)CC(C)(C)CC2(CC2)C1 2284111733 KISQGTAIJVVVBV-LJQANCHMSA-N 273.464 4.670 30 10 CJEE CC[C@H]1NC(=Nc2cccc(C(C)(C)C)c2)S[C@@H]1CC 2285715433 OHNKJQHMBVTGKT-HUUCEWRRSA-N 290.476 4.865 30 10 CJEE C=CCCCCCCC[S@](=O)[C@@H](C)c1ccc(N)cc1 2287184244 JODMSTKZOFMFLL-YWZLYKJASA-N 293.476 4.605 30 10 CJEE C=CCCCCCCCSc1cc2c(cc1N)COC2 2287356958 IOTDBWHRDKYSRJ-UHFFFAOYSA-N 291.460 4.918 30 10 CJEE CC(C)CCC[C@@H](C)CCN(CCC#N)CC1CCC1 2287886650 VKJWRRDQVYCWNN-QGZVFWFLSA-N 278.484 4.855 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(C(F)F)cs1 2289845210 LIDJFYSWGRPALI-AWEZNQCLSA-N 297.414 4.920 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1CC2(CCCCC2)C1 2289874551 MGRJLFBMTMXPON-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1cccc(C(C)(C)C)c1 2290203815 XQKPIYUIZBPYOJ-CZUORRHYSA-N 271.404 4.597 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)C1CC(C)C1 2290620809 NLQFMTFJLXEJHU-VMBOVVBDSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@](CC)(CC1CC1)OCC(=O)O 2290621553 PXQYJZMKZXYDOW-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)c1cccs1 2291859473 JZPTXTRHLGCJMJ-INIZCTEOSA-N 298.448 4.815 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCC[C@H]1CC 2292642103 RKBHKFAMIKSPME-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCCSC1 2292647386 OEMQTLQYDRSGSM-KRWDZBQOSA-N 299.524 4.534 30 10 CJEE C=CCCCC1(OCCCN)CCC(C(C)(C)C)CC1 2292727482 NMBPDZJFAALCTC-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C(C)(F)F 2293458491 HNEDRIUCCBWDKK-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE CCCCCCC[C@@](C)(CCCC(F)F)OCCCN 2293572619 LYJWOCWOGFUUSA-INIZCTEOSA-N 293.442 4.906 30 10 CJEE C=C(C)CCCCC1(OCCCN)CC2(CCCC2)C1 2293894934 FFIWTOLBNZFWKU-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CC(C)(C)CCC1(C)C 2294186416 RRBOMQWFZYHSTH-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=C1CC([C@H](NCC)c2ccc3ccc(Cl)cc3n2)C1 2294965993 BYPRNPNRBUNXKS-KRWDZBQOSA-N 286.806 4.505 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(C)CCC[C@@H]1O 2295689401 PRQYTGZJSVRIOV-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CC[C@](C#N)(NC(C)C)C1 2295764758 WKJTYWAYBHROTJ-ULQDDVLXSA-N 296.524 4.749 30 10 CJEE O=C1C(=CC2CCCCC2)CCCc2ccccc21 2297562973 AFJJYWUBVIGGKR-UHFFFAOYSA-N 254.373 4.712 30 10 CJEE C=CC[C@H](C)Sc1csc(CN[C@@H](C)CC)c1 2298931137 WEHLMSFXRWUMRN-RYUDHWBXSA-N 269.479 4.693 30 10 CJEE C=CCC(CC=C)Nc1cc(C)c(Br)c(C)c1 2301050756 NAXCESZEPBOJLH-UHFFFAOYSA-N 294.236 4.999 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C)c1Cl 2304061043 BWEJQIBKUQSOLR-CABCVRRESA-N 251.801 4.641 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)c(F)c1 2304079771 YGRDZZHRDVCDKL-CQSZACIVSA-N 254.732 4.654 30 10 CJEE C=CC[C@H](C)Sc1cc(C)c(CNC2CCC2)s1 2313702097 ORYJLTIDZMSOQV-LBPRGKRZSA-N 281.490 4.755 30 10 CJEE C=CC[C@H](C)Sc1c(CNCCC)sc(C)c1C 2313703265 AKXZPOLTSOTXNI-NSHDSACASA-N 283.506 4.921 30 10 CJEE CC(C)=CCC[C@@H](C)Oc1ccc(Cl)cc1C#N 2319178215 KVFHIYOCWXFWSH-GFCCVEGCSA-N 263.768 4.725 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc2ccccc2s1 2319248524 FEYBIOUGRXHEES-CJNGLKHVSA-N 257.402 4.518 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc2ccsc2c1 2319286752 NOXQJEQSVCXVAO-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1C[C@H]1C)NCCC 2321101725 LKDMBSKOWPVQTJ-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(F)c1Cl 2321126795 DALPZNGOMHVIGO-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE CSc1cc(SC[C@H]2CC[C@H](C)C2)ccc1C#N 2328530814 WLLSHSUDCTTXOL-RYUDHWBXSA-N 277.458 4.808 30 10 CJEE CCC(=NOCCCC#N)c1ccc(-c2ccccc2)cc1 2330259020 RIOLDNKPOQCFJJ-UHFFFAOYSA-N 292.382 4.788 30 10 CJEE CC1(C)CCC[C@@]1(C=O)C[C@@H]1C[C@H]1C1CCCCC1 2332784575 VHFCQIDJJJEDAG-BQFCYCMXSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@H](NCCC)CC(C)(C)C1(C)C 2335195417 WVYZVBROBURXJI-RRFJBIMHSA-N 283.525 4.877 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)cc1C 2337067255 IONNXUIDCAOBBV-XYJFISCASA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1CCC(F)CC1 2338745642 YIVDWTIPCAMCNF-JCYILVPMSA-N 267.432 4.651 30 10 CJEE C#CC[C@@H](C[C@@H](O)c1ccc(Cl)c(Cl)c1C)C1CC1 2339050524 QYGVRCGBZXXQRH-SWLSCSKDSA-N 297.225 4.775 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)[C@H](C)C(C)C 2340260870 DFMPQTFBCLBGHH-NVXWUHKLSA-N 268.441 4.515 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CCCC2=CCCCC2)C1(C)C 2341012425 DOFWDIIZDVFNBX-NVXWUHKLSA-N 261.409 4.612 30 10 CJEE CC#CCCCC[C@H](NC)c1ccc(C)cc1SC 2342305698 QMGKHZPBLGXUFT-INIZCTEOSA-N 275.461 4.561 30 10 CJEE C#Cc1c(F)cc(N[C@H](C)c2ccc(Cl)s2)cc1F 2344191131 MBGYKAMRYMKJJJ-MRVPVSSYSA-N 297.757 4.834 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1nc(C)cc2sccc12 2344343330 OEHXHJRVWCDNBP-CVEARBPZSA-N 274.433 4.597 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]1C1CCC1)NCCC 2344358928 WSKFYFKAJAWFJH-YESZJQIVSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(F)ccc(F)c1Cl 2344370577 CTDJBHAAVLVEOG-AWEZNQCLSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1[C@H]2CCC[C@H]21)NCCC 2344375005 LMHPKADVMGZDNJ-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCC#CC)NCCC 2344384766 XWYUQAANIDTMAK-ROUUACIJSA-N 263.469 4.931 30 10 CJEE C[C@@H](C[C@@H](C)C(F)F)N(C)C[C@@](C)(CS)C(C)(C)C 2352069507 TVLWOUOBOPKLDY-XUJVJEKNSA-N 295.483 4.580 30 10 CJEE CSc1cc(Nc2ccc(Cl)cc2C)ccc1C#N 2353831427 KDEUUYUULPTQET-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCSc1cccc(NC[C@H]2CCC[C@@H]3C[C@H]23)c1C#N 2354340399 XASMADFMKCINGX-MCIONIFRSA-N 286.444 4.518 30 10 CJEE C#C[C@H](N[C@H]1C[C@H]2CCCC[C@@]2(C)C1)C1CCCCC1 2358137322 KHHRMJFGBYOWRD-XWSJACJDSA-N 273.464 4.517 30 10 CJEE CCn1c(-c2cccc(C)c2)c(C#N)c2ccccc21 11805046 SWVZEZQZNOESEV-UHFFFAOYSA-N 260.340 4.508 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 36926910 FOBNSMLHBLJWGP-GYSYKLTISA-N 296.336 4.814 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 51635244 UIBGMSLIGYZLDW-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1cccs1 52902761 HKDAIZZIILCFOI-JTQLQIEISA-N 296.178 4.545 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1Cl 54823266 MFNQTBBBFBYPDG-GWCFXTLKSA-N 283.202 4.878 30 10 CJEE CCCCCCCCN(CCCN)C1CCCCCC1 59203675 ZODRSEBDLKAJBS-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@@H](CC#N)c1ccccc1 62014208 DEOBNDGFFBDPIV-KDOFPFPSSA-N 298.817 4.988 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC[C@H]1CN 91323571 OCWPPMPOFBGDCR-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCCCN(C)CC1CC(N)C1 91472375 OUMFMUIJVHICFT-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE O=C(CC12CC3CC(CC(C3)C1)C2)C1=CCCCC1 94545553 BWKKRNFHURNTOV-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE CCCC(CS)(CCC)CN1[C@@H](C)CCC[C@H]1C 94578275 OAURZAHPWDHQPJ-GASCZTMLSA-N 271.514 4.766 30 10 CJEE CC1CCC(N(C)CC2(CS)CCCCCC2)CC1 94581261 OOPSJOWCGQFRMF-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CC[C@H](CS)COc1ccc(Cc2ccccc2)cc1 94584966 SZWQDXYHWKYMOG-HNNXBMFYSA-N 286.440 4.612 30 10 CJEE SC[C@H](CSc1ncccc1Cl)c1ccccc1 94589699 AFMRLYPGQNKGEU-GFCCVEGCSA-N 295.860 4.541 30 10 CJEE CCC(CC)[C@@H](C#N)Sc1ccc(Cl)cc1 94674693 QQXHDPKPMIREKX-CYBMUJFWSA-N 253.798 4.760 30 10 CJEE C=C(C)CC[C@H](Cc1ccc2ccccc2c1)NCC 97419520 QCSWCLSNMKMFNO-LJQANCHMSA-N 267.416 4.717 30 10 CJEE C#CC[C@@H](CC)c1ccc(OCc2ccccc2)cc1 107579209 RHUKKORIDFTEOT-QGZVFWFLSA-N 264.368 4.783 30 10 CJEE CC#CC[C@@H](NCCC)C1(c2ccccc2)CCCCC1 109747500 BXLJIDHZRXUAQZ-LJQANCHMSA-N 283.459 4.670 30 10 CJEE CCCCCCCO[C@@H](c1ccc(C)s1)[C@H](N)CC 109987495 VSOQFGLIIRJGMN-GDBMZVCRSA-N 283.481 4.822 30 10 CJEE CCCCCCCCCCN[C@H](CC(C)C)CN(C)C 110166827 SCHBXXYBAMZQBF-GOSISDBHSA-N 284.532 4.693 30 10 CJEE Cc1ccc(C#N)c(Oc2cc(C)cc(C)c2C)c1 110261610 UHPOLZLJYMWBBH-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCCCCCCCCn1cc(CNC(C)(C)C)c(C)n1 112932920 ODYZQPHQTKZIHK-UHFFFAOYSA-N 293.499 4.830 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@H]1C1CC1 114056141 FVCPSDGXFRLRAV-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCCCn1ccc(C[C@H](N)CC)c1 117599640 WAJMATMFTJIQOJ-GOSISDBHSA-N 278.484 4.909 30 10 CJEE CCCCCCCCCn1ccc(CNC(C)C)c1 117985810 DQCLHMRENMAZGX-UHFFFAOYSA-N 264.457 4.737 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@](C)(CC)N(C)C 118153003 KYAXRHLBQZXEHD-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@@H](CCC(F)(F)F)NC 122545173 KIZQFXIUFSDECE-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE N#Cc1ccccc1Nc1c(Cl)cc(F)cc1Cl 123443322 INOFWFPUMDYJSO-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE N#C[C@@]1(Cc2cc(F)ccc2Cl)CCc2ccccc2C1 126022181 QRYNOOVBEVFQDN-SFHVURJKSA-N 299.776 4.720 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(F)cc2C#N)c2ccccc21 126329374 BTMXEABVGJDSBV-SGTLLEGYSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](OCC)C1CC1 130162994 CZGGLOIGMNJVPJ-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE N#Cc1ccc(N)c(Sc2cc(Cl)ccc2Cl)c1 130624063 RXEHRPIETPYFEG-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1ccccc1Br 132730273 RLVUFCHOQGSGRJ-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE CCCCCCCCCCCC(=O)Nc1[nH]ncc1C 134666768 MZABEBJMPZYGTN-UHFFFAOYSA-N 279.428 4.578 30 10 CJEE C=C(C)CCC(=O)c1cc2cccc(Br)c2o1 140921562 QRDDNUDYRAGSPN-UHFFFAOYSA-N 293.160 4.734 30 10 CJEE CCCCCCCCCC[C@H](CCSC)NC 143461024 FUZOWSUPJSHGHU-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(C#N)Nc1ccc(Cl)cc1 156057407 TVTYFYIBRROMQQ-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(Cl)cc1Cl 156928541 BJBAHIZXXPJHOY-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(OC)cc(OC)c1 159074108 RJLTUJTWHUAIMY-SFHVURJKSA-N 293.451 4.715 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 159158030 PQTQVBKMAQITTF-CQSZACIVSA-N 278.396 4.606 30 10 CJEE C=C(C)CC[C@@H](NCC)C1CCC(C(C)C)CC1 164620730 FMJZACDJOIGZIK-OFLPRAFFSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(OC)CCC[C@H](C)C1 166301807 DKSVWJMTXZNBHX-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCOc1ccc(C)cc1/C=C\C(=O)O 214954811 CYGHLXAGNPHGLH-BENRWUELSA-N 290.403 4.832 30 10 CJEE CCC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 219335583 VWXHQONBCXIJKV-XMTFNYHQSA-N 290.495 4.996 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc2sccc2c1 221073923 RWVHWESBNCWHKK-UHFFFAOYSA-N 264.353 4.825 30 10 CJEE Cc1cccc(F)c1Nc1ccc(C#N)c(C(F)(F)F)c1 225036265 PMNTUIRCXFDCDJ-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE SCC1(CN2CC[C@@H]3CCCC[C@H]32)CCCCCC1 228056751 NXRKLBBWSLYAKN-JKSUJKDBSA-N 281.509 4.521 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CCC3(CCCC3)O2)CC1 229466213 QCLZCAOSRISFAI-OAHLLOKOSA-N 275.436 4.978 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2CCC3(CCCCC3)O2)C1 229466488 LQIJPHXPZPVIDL-IXDOHACOSA-N 275.436 4.978 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn2ccccc12 231957617 XUTDWIDMRJFULF-QGZVFWFLSA-N 274.408 4.508 30 10 CJEE CCCCCCCCCCNCc1ncc(C)s1 232951607 FQLMREVVDKNVNY-UHFFFAOYSA-N 268.470 4.682 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1snnc1CCC 233164624 VDHLSVGYXKKHNM-CQSZACIVSA-N 295.496 4.668 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)Sc1ccc(Cl)cc1 233282776 XOQBRLUTNQBBFI-ZWNOBZJWSA-N 253.798 4.760 30 10 CJEE C=CCCCCC[C@@H](CSC1CCCC1)NCC 233536613 NVDKMPSRYOHQTD-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(C)s1 233608320 DXVBZGMOXUXPGD-CQSZACIVSA-N 251.439 4.844 30 10 CJEE COc1cc(CSc2ccccc2Cl)ccc1C#N 234975227 HVBYBAZNWMTQOJ-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1Cl 235425033 PBDMIRDDGJJCFA-ZJUUUORDSA-N 258.192 4.609 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(C=NO)cc2)c1 250978799 LNWWJIVJALIJPL-UHFFFAOYSA-N 283.371 4.893 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1cccc(Cl)c1C#N 251149440 KVNBEUACFDQIIZ-XNJJOIOASA-N 288.822 4.838 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cccc3c2CCCC3=NO)C1 252677048 RXMVETLINCKFTO-KGLIPLIRSA-N 287.403 4.549 30 10 CJEE C#CCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 252750438 FVZLASZYAZCWSA-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C1CCC(CC)CC1 311350620 VNUIRVSXHIAJBE-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C=C([C@H](NCCC)c1ccc(Cl)c(F)c1)C(F)(F)F 311891339 DFNANBLAOYVEIA-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE CCC(=NO)c1ccccc1OCc1ccc(Cl)cc1 312107383 VQJIDGFMLNMLBI-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE CCCCCCCCOc1c([N+](=O)[O-])ccc(F)c1F 312221562 DWDKITGHCQCDOV-UHFFFAOYSA-N 287.306 4.612 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCCC12CCCCC2 312986610 GHGDBFMBFIFGOF-MRXNPFEDSA-N 268.404 4.782 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(CC#N)c1 313439299 QUNWOKHOGWYWAP-DLBZAZTESA-N 270.420 4.769 30 10 CJEE C=CCCCCCCNCc1cc(F)cc(Cl)c1 380746734 MIONBETWVLALAF-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE Cc1ccc(N[C@](C)(C#N)[C@@H]2CC3CCC2CC3)cc1 381564329 WZAFEXVZIANWHG-NANBGGJNSA-N 268.404 4.516 30 10 CJEE C[C@@H]1CCC[C@H](CC/N=C2/N[C@@H](CC(C)(C)C)CS2)C1 393464501 HPONVCSHRYNICN-KFWWJZLASA-N 296.524 4.700 30 10 CJEE CCC[C@H]1CCCN1CCCCCCCCCS 396977280 PKBXEBCDJSLECA-INIZCTEOSA-N 271.514 4.911 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnc(C)cc1C 397439271 GKBICAIBWSOCIS-QGZVFWFLSA-N 263.425 4.873 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(OCCCC)cc1 398087500 VTXGKXJPZFMEIH-INIZCTEOSA-N 275.436 4.700 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 403333817 ATNRCKHGCDQZLD-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE 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C[C@H](CCC(C)(C)C)/N=C1/NC2(CCCCCC2)CS1 713258336 XZJKQBUOHRUOKR-CQSZACIVSA-N 296.524 4.987 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H](CC)c1ccccc1 715801703 ZGBREYHWKVMYGB-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE C=CCCC(C)(C)NCc1c(C)oc2ccccc12 717915075 BOLUVDYOHBNBSY-UHFFFAOYSA-N 257.377 4.576 30 10 CJEE CCCCCCCNc1cncc(Br)c1C 722750345 BNVNLQOSHNEHLX-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 724592961 WASXIKWVKMEUSI-BDXSIMOUSA-N 261.453 4.537 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)c1cc2cnccc2o1 850449930 ZEFUSLMWAJJTMW-KGLIPLIRSA-N 272.392 4.613 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccccc1C(F)(F)CC 1132768917 BVEMVINZGSYXMU-UHFFFAOYSA-N 293.357 4.895 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1134474630 GDLCWHLQWMATHZ-WMZOPIPTSA-N 299.458 4.631 30 10 CJEE C=CCCCCCN1C[C@@H](C)Oc2ccc(Cl)cc21 1167513420 TXMVBORZJPJUKN-CYBMUJFWSA-N 279.811 4.674 30 10 CJEE C#CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2CCC)cc1 1177655369 FOOREUGPBVXSNA-AZUAARDMSA-N 299.458 4.537 30 10 CJEE C#Cc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)c(Cl)c1 1184098064 SBBYMLIXNVSRPQ-JSGCOSHPSA-N 275.823 4.948 30 10 CJEE C=CCCSc1nccn1-c1ccccc1C(C)C 1188333074 HEMPGATZFWHUCA-UHFFFAOYSA-N 272.417 4.664 30 10 CJEE C=CCC1(CN[C@@H](C)[C@@H]2CC3CCC2CC3)CCCC1 1205788751 GCGOIJCXNJDQGF-BFWZDYSYSA-N 275.480 4.927 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2ccccc2C1 1207708432 ULMVLVKZPPRKIC-RBUKOAKNSA-N 271.448 4.659 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1308773969 MWPXKDLLXKSIMC-HOTGVXAUSA-N 297.364 4.897 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)Cc2ccccc2F)c1 1308970242 FWVNBGNWMABKDR-AWEZNQCLSA-N 269.363 4.902 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 1457397361 RJLVXMBEJMAYBD-AOIWGVFYSA-N 299.458 4.631 30 10 CJEE C#Cc1cccc(CNCc2ccc(C3CCCC3)cc2)c1 1461584338 XNXSNMIYRKVOES-UHFFFAOYSA-N 289.422 4.615 30 10 CJEE C=C(C)c1cccc(NC2CCC3(CCCO3)CC2)c1 1462649555 UGOUONASLVOYEP-UHFFFAOYSA-N 271.404 4.623 30 10 CJEE C=C(C)c1cccc(NC(=O)CC(C)(C)CC(F)F)c1 1463256524 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2230011062 SVKPHZVNGWDEET-OAHLLOKOSA-N 289.504 4.573 30 10 CJEE C=C[C@@H](CCCCC)OCCN[C@H](C)CCCCC 2231101937 BCBYZKABNNUZGO-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=C(CC)COc1cccc(Cl)c1CN[C@H](C)CC 2231584646 QNXIWROJEPVWPC-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@@](C)(N)c1nc(C2CC2)cs1 2231903412 XADVTYDZDNXABR-MRXNPFEDSA-N 280.481 4.945 30 10 CJEE CCC(CC)(CS)CN(C)CC1C[C@H]2CCC[C@H](C1)C2 2233543371 MAYGMPHYNRXBRX-HOTGVXAUSA-N 297.552 4.871 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233637187 TUROZASSBVLELX-QKPAOTATSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(C)CCCOC1 2235521767 MOWXVLQMKFGFFW-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](N)C[C@@H]1CC2(CCC2)CO1 2235524119 MZAFPKPUAZMVKR-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](O)(CC)C1CCCC1 2235525966 GKETZIMMKKIUKK-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)(CC#CC2CCCCC2)C1 2238173016 FFSRLNXYFJUHAM-MJGOQNOKSA-N 276.464 4.928 30 10 CJEE C=CC[C@H](C=C)OCc1cc(CN[C@@H](C)CC)sc1C 2238507052 XRFDWPUYKBCASP-BBRMVZONSA-N 293.476 4.592 30 10 CJEE CCCCCCCCCCOCC1(C(=O)O)CCCC1 2239480181 BTRQNUAOXYRMJA-UHFFFAOYSA-N 284.440 4.789 30 10 CJEE C=C[C@@H](CCCCC)OCc1cc(CNCC)sc1C 2239483461 RKTSUBZTXXTXQC-INIZCTEOSA-N 295.492 4.818 30 10 CJEE C=CCCCCCCN[C@@H](C)c1c(F)cc(F)cc1F 2239590378 FLFCMYMNCMOYDJ-LBPRGKRZSA-N 285.353 4.891 30 10 CJEE CC[C@@H](C)CC(=O)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 2240174263 YRJJTRDOPXSQQZ-CJNGLKHVSA-N 271.404 4.597 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CCC[C@@H]1C[C@H]1C 2240644692 MABFKCFMOROFHZ-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCOCC[C@@H]1CC 2240654363 QVXFOFXOSMBBJT-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCN(CCCCCCCS)Cc1ccccc1 2242389381 WOIWYNCSCMMQQH-UHFFFAOYSA-N 279.493 4.779 30 10 CJEE C=C(C)C[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2244387079 NSRPWNRTSPTHKO-CYBMUJFWSA-N 258.192 4.529 30 10 CJEE C=C(C)CCCCN[C@@H](C)c1ccc(Cl)s1 2244629180 XRMCJTLTFMBOEY-NSHDSACASA-N 257.830 4.799 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC(C)C)CC1(C)C 2259172280 QBEOHAFLRUSMQX-KRWDZBQOSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCCC1(F)F 2259236740 GFAUBVFTAJDVLM-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C#C[C@H](N[C@@H](C)CCCCCCCCC)C(C)C 2263718478 RIBHKBYLIFAZNH-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1 2264183392 BPQVEGDFYVDWGQ-CYBMUJFWSA-N 288.218 4.835 30 10 CJEE N#Cc1c(Cl)cccc1OCC1CC2(CCCC2)C1 2265225646 RNABQCYKGGHPOC-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE Cc1ccc(Cl)cc1[C@@H](N)CC=CC#CC(C)(C)C 2268729393 QQXUBAXDLSAXLR-INIZCTEOSA-N 275.823 4.644 30 10 CJEE CCCCCCCCCCN[C@H](CC)c1cn[nH]c1 2272390302 ZDLJRPGDZKPMHS-MRXNPFEDSA-N 265.445 4.591 30 10 CJEE CCCCCCC[C@](C)(O)c1cnc(C(C)(F)F)s1 2273627022 FTFXTNKCROPYJG-ZDUSSCGKSA-N 291.407 4.823 30 10 CJEE N[C@H](C#CC1CCCC1)c1cc(-c2cccs2)cs1 2273903575 LHSNHJCZPAGRQW-CQSZACIVSA-N 287.453 4.670 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](CC)C(C)C 2274129363 NXRQENWPRRDGIZ-ROUUACIJSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]1CCC)OCCN 2276972950 PNRDPLPCRCQPSE-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC[C@@H]1CC 2277226501 GGHNRYHNVVQXLZ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE N#Cc1sccc1CNC1CCCCCCCCC1 2277484087 DYGYKNXIIPHDED-UHFFFAOYSA-N 276.449 4.602 30 10 CJEE C#Cc1ccc2c(ccn2CCCCCCCC)c1 2277802940 CQQBXFIIHSVRON-UHFFFAOYSA-N 253.389 4.983 30 10 CJEE C=C(Cl)CO[C@](C)(CCCCCCCCC)C(=O)O 2278169879 VQOWRRMJHXKJHB-OAHLLOKOSA-N 290.831 4.740 30 10 CJEE CCCCCCCCC[C@H](C)NOCC1(F)CCC1 2278233323 CQUXJROYPRUJIS-HNNXBMFYSA-N 273.436 4.929 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCCCC 2278245496 VXUBFKCLMPVKDB-SJORKVTESA-N 271.489 4.786 30 10 CJEE C=CCCCCC[C@@H](NC)c1nc(C(F)(F)F)cs1 2278709566 IVEBZGZUDADDFH-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE CCCCCCCCC(=O)c1cnn(C2CCC2)c1 2278928179 WUFZEEBOVIFRSJ-UHFFFAOYSA-N 262.397 4.541 30 10 CJEE C=C(C)CC[C@H](C)NCCC12CC3CC(CC(C3)C1)C2 2279781310 IREMQDGMZAWUAZ-OPRRPXDXSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCN[C@H]1CCC[C@H]2CC[C@H]1O2 2283908468 LHIHEHIREXYNLO-OKZBNKHCSA-N 279.468 4.593 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@H](C)CC1 2284072281 CPRWSDRYSPLDBT-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCC[C@H]2CCCC[C@@H]21 2284115987 PSXDGVZQZCCPBQ-AOIWGVFYSA-N 273.464 4.670 30 10 CJEE Cc1cc(C#N)cc(C)c1OCCCCC[C@@H]1C[C@H]1C 2284862118 KUWCXVIHHUDDMP-CXAGYDPISA-N 271.404 4.770 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@]12CCCC[C@H]1CC2 2288982987 ZXHWSHYSJCIPRN-SCTDSRPQSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@]12CCC[C@H]1CC2 2289859206 ITUIAHMEWLWTRT-IPMKNSEASA-N 273.464 4.519 30 10 CJEE C=C1C[C@@H]1C[C@@](C)(CCCCCCC)OCCC(=O)O 2291678941 QLLUPWIJYFERKC-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCCN)C(F)(F)F 2292777193 SWWHWDATIRYXSV-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1coc(C)c1 2293444785 JPWGMGUBPRTWHU-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccc(F)cc1 2293723260 RRLBNCHYTGIHDT-QGZVFWFLSA-N 281.415 4.593 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CC(C)(CC)C1 2295528203 YPLHDHJKXGJEHC-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@H](C2CCC2)CO1 2295537433 ZHCABDYYLCNFOQ-ROUUACIJSA-N 281.484 4.879 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnccc1CC 2295597560 WVOAJVIVMMMNFP-SFHVURJKSA-N 276.468 4.959 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(NC)C1CCCC1 2295711916 SNQOLXNHPSAFAR-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(CCC)NCCC 2295763269 GWIKEYFUGNJFEX-IRXDYDNUSA-N 298.540 4.998 30 10 CJEE CCCCCCCCCC[C@H](O)CCC[C@@H]1CCNC1 2296102253 VZHPROJVYKWPDX-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CSc1ccc(NC=CC(=O)c2ccc(C)c(C)c2)cc1 2296876369 OWGDZNLVZMOMER-UHFFFAOYSA-N 297.423 4.834 30 10 CJEE C#CCCCCCCNCc1cc(Cl)sc1Cl 2301100937 NBQZCJUANJKDSW-UHFFFAOYSA-N 290.259 4.728 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C)c(Br)c1 2304085166 BDALAKGLSJXWDQ-HNNXBMFYSA-N 295.220 4.933 30 10 CJEE C=CCC(CC=C)SC[C@H](O)c1cccc(Cl)c1 2313644753 KPVJBBQFYQQGIE-HNNXBMFYSA-N 282.836 4.627 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(CSC)cc1 2316705397 JQBRWAWLSPEHFB-UHFFFAOYSA-N 260.402 4.501 30 10 CJEE C=CC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2316854391 GNGAGJYYGKJMAV-ZDUSSCGKSA-N 286.246 4.789 30 10 CJEE CC(C)(C#N)CCCOCC1CCCCCCC1 2319884225 QMRBVXNZWYIRDT-UHFFFAOYSA-N 251.414 4.693 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC1CCC(CCC)CC1 2321223889 PENRWWUWWQIRFK-GPANFISMSA-N 252.442 4.946 30 10 CJEE CCCCCCC[C@@H](N)C12CC(CC(C)C)(C1)C2 2321595758 RDCSAFICOWEJPV-KLAILNCOSA-N 251.458 4.891 30 10 CJEE CN[C@H](C#CC(C)(C)C)c1c(Cl)cc(C)cc1Cl 2327873522 SNLAWMUEJNQABO-CYBMUJFWSA-N 284.230 4.612 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2332408793 OJIYXZFCWQWLTC-IGKNDFSCSA-N 263.469 4.713 30 10 CJEE C=CCCCCCCCS[C@@H]1[C@H]2CCC[C@H]2C[C@H]1N 2334654541 SAVKFQBTCFPNET-MWDXBVQZSA-N 281.509 4.762 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2334658158 YTTYEURNDHDEQB-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cc(OC)cs1 2338738710 OLUJWLNUYYHMKM-INIZCTEOSA-N 279.449 4.566 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338787593 OPKKSDDOIYNKRL-AVEIZBFRSA-N 261.453 4.537 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1cccc(Cl)c1C#N 2343118655 TYTIBWOEYAGORY-YPMHNXCESA-N 276.811 4.696 30 10 CJEE CC1=C(C)C[C@@H](CNc2ccc(Cl)cc2C#N)CC1 2343452038 RCJBOBUQXOKSSX-ZDUSSCGKSA-N 274.795 4.760 30 10 CJEE C=CCC(C)(C)[C@H](CC=C(C)CCCC(C)C)NN 2344383053 QXWJTVGUDNQANU-INIZCTEOSA-N 266.473 4.583 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H](C)CCCC(C)C)NN 2344477665 WJDWKKFERGNFNB-HOTGVXAUSA-N 268.489 4.663 30 10 CJEE C=CCCC[C@@H](CCC1(C(F)(F)F)CC1)NCCC 2344762642 IJVDAVHLNRVOBQ-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCCC[C@@H]1C(C)(C)C 2352226492 VZWOPMSLLAJTTN-ZENOOKHLSA-N 284.465 4.744 30 10 CJEE CC(C)N(Cc1cccs1)C[C@](C)(CS)C(C)(C)C 2352291326 UHYBRJQPGZVAQM-MRXNPFEDSA-N 299.549 4.941 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353974627 YENKDXNIHZUSPQ-XDNAFOTISA-N 282.468 4.693 30 10 CJEE CCCCCCCC[C@@H](CN)N1C[C@@H](CC)CC[C@H]1C 2358323782 XIPHDSZQCPYBGG-SQNIBIBYSA-N 282.516 4.575 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCc2ccccc21 2359609976 LYJIALFRJTZKMO-RUENVJTFSA-N 265.400 4.611 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 19921613 CIVLQVIUQNOIES-LLVKDONJSA-N 290.288 4.750 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1ccc(Cl)c(C#N)c1 36973270 FOYJNYPJRIWPOW-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1ccccc1C(F)(F)F 37935867 OGJLQJUCHXUBQR-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Cc2cccc(C#N)c2)cc1 57756970 LDPAFRDCSVYMAH-GOSISDBHSA-N 288.394 4.706 30 10 CJEE CCc1sc(-c2cc(C)c(OC)c(C)c2)cc1CC#N 77097607 QKSHHQZHBQWUKC-UHFFFAOYSA-N 285.412 4.669 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2sccc2C)c(C)c1 83192961 VRMGGUQGBSQJCN-BQYQJAHWSA-N 286.396 4.660 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87930313 ORJZCFKORGEYAG-MAUKXSAKSA-N 285.435 4.651 30 10 CJEE CCC1CCC(C#N)(CCc2ccc([N+](=O)[O-])cc2)CC1 87933674 SUYCHLLKAMWGGV-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE CCC1CC(C#N)(Sc2cccc(Cl)c2)C1 90238287 LYCUBGMZCITQGX-UHFFFAOYSA-N 251.782 4.514 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)C[C@@H](C)c2ccccc2)C1 91884468 RFKNCWQPAJRFCE-RWQQGDIJSA-N 285.431 4.651 30 10 CJEE CCC[C@@H](CS)CSCc1cc(C)cc(C)c1 94721439 QEAPFDAWSSNQFI-AWEZNQCLSA-N 268.491 4.883 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc2cc(F)ccc2s1 97389964 XRYWMXSTKARKAZ-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE C=CCCCOCc1ccc([C@H](C)CNC(C)(C)C)cc1 97811230 XJJIJXFUYYTHJR-MRXNPFEDSA-N 289.463 4.661 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1ccc2c(c1)CCC2 104179854 VNMFRYRDVXFXAB-UHFFFAOYSA-N 285.799 4.852 30 10 CJEE C#CCCOc1ccc(C(C)(C)C)cc1C(C)(C)C 104365205 GTRYCPNUSRGWMG-UHFFFAOYSA-N 258.405 4.684 30 10 CJEE C=C[C@@H](C)Cc1c(OCC)cc(C)c(Cl)c1C 107623847 GLFWJUIYVHZUAA-SNVBAGLBSA-N 252.785 4.720 30 10 CJEE CCCCCCCCCn1c(CN)cc2ccccc21 112930433 BFHWWDMMYJVUTA-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CCCCCCC[C@@H](C)N1CCC(CCC)(C(=O)O)CC1 115598160 ANPSURZGBGXUOX-MRXNPFEDSA-N 297.483 4.702 30 10 CJEE CCCCCCCCCCn1cccc1[C@@H](C)NC 118238261 VQXDUHOWPHECDV-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CCCCCCC[C@H](N)c1ccccc1OCCC 123978464 LKYYTQRJFHEMFR-INIZCTEOSA-N 263.425 4.836 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2coc3ccccc23)C1 124303587 KQZCXRAYWBDPMA-XWIAVFTESA-N 283.371 4.576 30 10 CJEE CC(C)(C)c1ccc(Sc2cc(C#N)ccc2N)cc1 124714999 NDDQMCHOOXCHLD-UHFFFAOYSA-N 282.412 4.589 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCCO1)NCCC 134573643 DOMOLJODCFBUAA-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=C(C)CN(CC(=C)c1ccccc1)C(=O)OC(C)(C)C 138604675 GUSYIRHCRZAIPX-UHFFFAOYSA-N 287.403 4.513 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc(N(C)C)c1 139425865 SMIRWPQGOHLBBY-GOSISDBHSA-N 276.468 4.893 30 10 CJEE C=C(CNc1cccc(O[C@@H](C)CC)c1)c1ccccc1 148033618 RPMJIHVMPADGDS-INIZCTEOSA-N 281.399 4.989 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1CNc2ccccc21 158016850 FFVPFKNKQZNNDB-OAHLLOKOSA-N 273.420 4.906 30 10 CJEE CCCCCCCCC(=O)[C@H](OC)C1CCCCC1 159848017 NKUBZGNBVFNTPT-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](OC)c1ccccc1 163179372 WKQQLFWETGTEKD-QZTJIDSGSA-N 278.436 4.876 30 10 CJEE C=CCCC[C@@H](NCC)c1ccccc1C(C)(C)C 167715084 VRRLDEOEQZHGGZ-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCC[C@@H](CCC(C)(C)OC)NCC 231012827 FSYGMEMCGZZVMH-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCOc1c(F)cccc1[C@H](C)NC 232933268 XUFNAAQDCXAZGK-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@H](O)c1cnn(C(C)C)c1 232940185 GJKCUPSSFFAPPE-INIZCTEOSA-N 266.429 4.638 30 10 CJEE CCCCCCC[C@@H](N)c1c(C)cc(C)cc1F 232945195 YQUJIQOUDRTNHL-OAHLLOKOSA-N 251.389 4.803 30 10 CJEE CCCCCCC[C@@H](N)c1c(C)cc(C)cc1OC 232945235 AKIKFDAPMVSAPB-OAHLLOKOSA-N 263.425 4.672 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@@H](SCC)C1 232949919 XIZIRUSVAILUPR-HRCADAONSA-N 271.514 4.999 30 10 CJEE C=C(C)[C@H](NCCC)c1ccc(F)c2ccccc12 233084133 VQGFXUADOVZTCA-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE CCC[C@H](CC)Nc1ccc(C#N)c2ccccc12 233348523 NGRRBUYCDPKZED-AWEZNQCLSA-N 252.361 4.702 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@](C)(CC)N(CC)CC 233540906 LQKJGXHDKOINHR-ZWKOTPCHSA-N 282.516 4.612 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(F)c1F 233545841 IUPBZEQTAIKHPP-HNNXBMFYSA-N 267.363 4.752 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 235238111 FVPZSKXWZHIWQG-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1cc(Cl)ccc1[C@H](C#N)Nc1ccccc1Cl 235852471 URZNNHYJJMMMGC-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1cccc(OCCC(=O)C2=CCCCCCC2)c1 235947548 PQMPJIYWBMPTHZ-UHFFFAOYSA-N 272.388 4.614 30 10 CJEE O=C(C1=CCCCCCC1)c1cc(F)c(F)c(F)c1 236161864 DEEXQWJXKQOWPD-UHFFFAOYSA-N 268.278 4.567 30 10 CJEE C=CC[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12CC=CCC2 238087650 LMCSYZSOZKILKA-MAUKXSAKSA-N 291.435 4.689 30 10 CJEE Oc1ccc(C=Nc2ccc(-c3ccccc3)cc2)cc1 254493710 UEADODMGGXSPQD-UHFFFAOYSA-N 273.335 4.810 30 10 CJEE N#CCC1(c2ccc3sc(C(F)(F)F)cc3c2)CC1 260221089 ISORJFJIADGJHF-UHFFFAOYSA-N 281.302 4.865 30 10 CJEE CC(C)(C#N)C[C@@H]1Cc2ccc(C(F)(F)F)cc2S1 260345897 OHXWRIRLQGOTLM-NSHDSACASA-N 285.334 4.662 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 300258571 XEMMGMIVDGLDBQ-OWCLPIDISA-N 252.442 4.946 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H]1CCCC(F)(F)C1 311137386 BEUXHPYDGKWDMY-CABCVRRESA-N 273.411 4.640 30 10 CJEE CCCCCCCCCCC[C@H](NC)C1=COCC1 311898490 APANNUWSXRDUMD-KRWDZBQOSA-N 267.457 4.800 30 10 CJEE CC(C)NC[C@@H](CCC#CC(C)(C)C)c1ccccc1 312201923 GTWMDVBKTNBLDG-GOSISDBHSA-N 271.448 4.598 30 10 CJEE CCN(CC(C)(C)C)c1ccc(C#N)c2ccccc12 312530761 JTUVYLFLNPWCLN-UHFFFAOYSA-N 266.388 4.584 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1c(F)cccc1Cl 313457900 CVCYDWCCPPVGCZ-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)CC[C@@H](C)C1 318102927 RIVDNHCRXWKQCO-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1ccc(Cl)cc1Cl 319978976 XGZUAKOXZYYJDP-JOYOIKCWSA-N 256.176 4.893 30 10 CJEE CCSc1cccc(N[C@H](C2CC2)C(C)(C)C)c1C#N 323894734 XMVBLRYKHNCTLM-MRXNPFEDSA-N 288.460 4.907 30 10 CJEE CCC1CCC(C(=O)[C@H](C#N)c2ccccc2Cl)CC1 328175574 APJQVTPWFMOMBH-SSDMNJCBSA-N 289.806 4.733 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(Br)cc1 384727057 AJEACFYXVCOZQO-IUODEOHRSA-N 292.220 4.712 30 10 CJEE C1CCC(CC/N=C2/N[C@@H](C3CCCCC3)CS2)CC1 386103486 IQOKIVWMZFPIEI-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C=C(C)CCNCc1ccc2c(c1)c1ccccc1n2CC 386647134 AYQQQKWTIHXZQO-UHFFFAOYSA-N 292.426 4.870 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1cc(F)ccc1Cl 387520559 ZTNBYGOQEHWIKL-LBPRGKRZSA-N 283.818 4.602 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccsc1Br 389010527 MBFIWHNWMRQNEO-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE N#CC1([C@H](O)C2CCCCCCC2)CCCCCCC1 394306550 GAQIFTRTHLLQDN-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE CCCCCCC[C@H](NCC)c1cnc(C)cc1C 397447556 NMOKKIQVLQQYBB-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE CCCCCCCCCC[C@@]1(O)CC[C@H]2CC[C@H]1O2 401741370 JIJRDJKZTAWQRM-BRWVUGGUSA-N 268.441 4.590 30 10 CJEE C#CCCCCC[C@@H](CCCc1ccccc1)NCC 686694440 AKSVPLXLZNXPAK-IBGZPJMESA-N 271.448 4.571 30 10 CJEE C#CCCCCCC(=O)c1cc(C)cc(Br)c1 686697244 JHZNYBBFQJDMOO-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CCSc1cccc(Nc2nc(Cl)c(C#N)s2)c1 690166514 CBTYDPIQFIEHIS-UHFFFAOYSA-N 295.820 4.524 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cccc(SC(F)F)c1 690238352 WYTPSBDGQFQVBI-SNVBAGLBSA-N 284.375 4.599 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCCSCC1 690373587 MWSDMYLSMOYSHW-CABCVRRESA-N 258.471 4.631 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1ccccc1 692264294 PDRWYNIGQJIGFQ-NJAFHUGGSA-N 257.421 4.862 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)c1cccs1 695927537 OGSLPZPNXMBJAZ-HOCLYGCPSA-N 283.481 4.640 30 10 CJEE C=C1C[C@H]2CC(NCC3(SC)CCCCC3)C[C@@H](C1)C2 697332173 FRPFQKMJLIBWNZ-SJPCQFCGSA-N 293.520 4.777 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@]1(C)CC[C@@H](C)C1(C)C 699018509 BENKKIUIGOYINU-MDZRGWNJSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCOC[C@@H](C)[C@H]1CCCCN1 700343706 JTMAYGGSNBNBFD-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCCC12CC2 707135046 NQYASRGDBOPIFV-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@@H](O)c1snc(OC)c1Cl 708459840 KWNHVAVTWKAMHL-SNVBAGLBSA-N 291.844 4.589 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C#N)CCOc2ccccc21 709239757 YDRWEFFIUYCFFP-KSSFIOAISA-N 271.404 4.693 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CCCC(F)(F)F 709358020 XAAQUKSQBSLRIY-MGPQQGTHSA-N 277.374 4.832 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CC(C)(C)OC1(C)C 711359153 ITTHRZUSLCLOSN-KSSFIOAISA-N 281.484 4.551 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1CCC(C(F)(F)F)CC1 715704354 JHOGPIXRPORVSJ-PPWQZUPISA-N 291.401 4.936 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1(OC)CCC(C)(C)CC1 715755172 XHCKZBAHBYBCID-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1CC(C)(C)CO1 717028661 PKBFVEUTGRVVHX-OAHLLOKOSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@H](C)O[C@H](C)C1 724231186 SYXBBWWVXQONCV-YVSFHVDLSA-N 270.457 4.692 30 10 CJEE C=CCCCC(=O)Oc1c(OCC)ccc2ccccc12 1127811649 FNHYBXMTTHQZDX-UHFFFAOYSA-N 284.355 4.500 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CC(C)(C)C1CCCCC1 1134728389 KYXFMOPTLMDXED-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C#Cc1ccc(CNC2CCC(C(C)(C)CC)CC2)cc1 1178758696 FJVFMYVUBOIXND-UHFFFAOYSA-N 283.459 4.753 30 10 CJEE C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1181007094 CTGPMURPQJCWAH-MDNKFWRPSA-N 296.458 4.584 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1181880093 MHPQSWQBWRTJHI-DOTOQJQBSA-N 277.839 4.607 30 10 CJEE C=CCCC(C)(C)CNC1CC(c2ccc(F)cc2F)C1 1183257343 YSCHTDNQRVOVSO-UHFFFAOYSA-N 293.401 4.793 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](OC(C)(C)C)C1(C)C 1206637019 UOMVPFJTXRFKFE-QZWWFDLISA-N 293.495 4.693 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2c(F)cccc2s1 1280397918 RVBFHNZFVGWLCO-UHFFFAOYSA-N 291.391 4.515 30 10 CJEE C=CCC1(CNc2nc3ccc(F)cc3s2)CCCC1 1307116793 NCWNCCCHAVAUCK-UHFFFAOYSA-N 290.407 4.984 30 10 CJEE C=CCCCC[C@@H](C)NCCOc1ccc(Cl)c(F)c1 1308767055 POBFXQWFKWGAFI-CYBMUJFWSA-N 299.817 4.582 30 10 CJEE C=C(C)CN(CC)C(=O)c1ccccc1-c1ccccc1C 1357549565 OQJIIPWVUOHWHG-UHFFFAOYSA-N 293.410 4.700 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C)c(Cl)c1F 1439083176 WOITZDNRQIGBFI-UHFFFAOYSA-N 297.801 4.510 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 1450642462 AXYRBYXWZJKIPL-CQSZACIVSA-N 299.389 4.758 30 10 CJEE C=CCCC1(CNc2cc(C)nc(C3CC3)n2)CCCC1 1458485289 SANZXHDZQYSOPB-UHFFFAOYSA-N 285.435 4.601 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1CCC 1460845319 VNCIMIRKMDFJKD-OTWHNJEPSA-N 299.458 4.506 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc(CC(C)C)cc1 1460888097 DHKDLLVHGOVKKQ-IBGZPJMESA-N 271.448 4.816 30 10 CJEE C=CCCC[C@H](Nc1nccs1)c1ccccc1 1472865935 MLFWHLMIVDVRGE-AWEZNQCLSA-N 258.390 4.653 30 10 CJEE C=CC[C@@H](C)NC(=O)N[C@H](CC)c1cccc2ccccc12 1479346945 BLSFHAJCPXMBNB-RDTXWAMCSA-N 296.414 4.555 30 10 CJEE C=CCC1(C(=O)NC2CCC(C)(C)CC2)CCCCC1 1523446503 NVOXMWWVERTVPS-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](CC)CC=C)c1ccccc1 1530641572 IRUTVVZVNJVVQO-ROUUACIJSA-N 285.431 4.597 30 10 CJEE C=CCCC[C@H](C(=O)N(CC)CC(C)C)c1ccccc1 1531492912 JTIIGXNZNYGURF-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](C)c1ccc(Cl)s1 1544263422 PHIKDPPTKVNZBX-LBPRGKRZSA-N 299.867 4.758 30 10 CJEE C=C(CC)CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1597395089 CCHDTZTYTABIGU-UHFFFAOYSA-N 299.458 4.732 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2c1nc2c(C)cc(C)cc2s1 1612636849 NQCKLDZQUGLFRP-OKILXGFUSA-N 284.428 4.601 30 10 CJEE C=CCCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 1644370808 FDSXEJCUAQOUHO-UHFFFAOYSA-N 284.230 4.924 30 10 CJEE C=C(CC)CN1CCc2cc(Cl)cc(Cl)c2[C@H]1C 1657514596 GLLUZWQRKRPIGS-LLVKDONJSA-N 284.230 4.879 30 10 CJEE C=CCCCCCN1CCCCc2cc(OC)ccc21 1657841843 GQJJQOCPYYVIQP-UHFFFAOYSA-N 273.420 4.584 30 10 CJEE C=CC(C)(C)CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 1659232355 WXNGOZCVCQHWLG-QGZVFWFLSA-N 273.395 4.563 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 1659352606 OOWFEZYUJWIUBL-LBPRGKRZSA-N 284.230 4.782 30 10 CJEE C=CCCCCCN(C)Cc1cccc(CCC)c1 1663888879 LSFNYGUOEWZCEX-UHFFFAOYSA-N 259.437 4.817 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@H]1CCCC2(CCC2)O1 1665796129 XKLZCJHUZWDDKC-IAGOWNOFSA-N 279.468 4.593 30 10 CJEE CCCCCCCC[C@H](CC[C@@H](C)C(F)(F)F)NN 1876105239 USECUGGCZMWKJJ-CHWSQXEVSA-N 282.394 4.548 30 10 CJEE C[C@H](C[C@]1(C=O)CCCCC12CCC2)OC(C)(C)C 1876990070 PQVIUAUNDQFYKN-PBHICJAKSA-N 266.425 4.510 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@H]1C(C)(C)C 1877799979 CYOPEFFKVDJTNL-ZWKOTPCHSA-N 271.448 4.747 30 10 CJEE C=C1CC(CNC2CC2)(CC2CCC(CC)CC2)C1 1878309886 YXRHDZRBARWZAT-UHFFFAOYSA-N 261.453 4.681 30 10 CJEE CC[C@H]1CC[C@H](C[C@]2(C#N)CCCOC2(C)C)CC1 1878369428 WHOWSHDOPLZXAZ-ZOBUZTSGSA-N 263.425 4.692 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C(C)(C)C(F)(F)F 1878635098 VTWBLHMPKYSLLP-XQQFMLRXSA-N 277.374 4.688 30 10 CJEE CC(C)C[C@H](C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 1878993313 GBDLNBFZVVUQGI-CYBMUJFWSA-N 263.425 4.594 30 10 CJEE CC#CCCC[C@@H](NCC)c1cc2ccccc2s1 1879643880 KPDQERCJFIFVGA-OAHLLOKOSA-N 271.429 4.746 30 10 CJEE CCCCCCCCN(C)CC=Cc1ccccc1 1887067719 FYCFLRZZRMGRDB-UHFFFAOYSA-N 259.437 4.992 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(C(C)(C)C)s1 1887474851 JGFCYWMQBYYPDA-KGLIPLIRSA-N 277.477 4.746 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)c1csc(Cl)c1)C1CC1 1887491255 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2256634598 YUDJKENVUYKUEK-FMKPAKJESA-N 259.418 4.811 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CCC[C@@H]2C(F)F)CC1 2257838318 AQZIVRHYRQHMLD-FMPXUHTOSA-N 255.352 4.778 30 10 CJEE CCCC[C@](C)(C#N)c1nc(C)cc2sccc12 2258245063 PFPQWQNNSIMBFF-OAHLLOKOSA-N 258.390 4.576 30 10 CJEE C=C(C)CCCC[C@@H](CC[C@H]1CC1(C)C)NCC 2259237176 LFCABHVNQMMGSJ-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE SC[C@H](CSC1CC2(C1)CC1(CCC1)C2)C1CC1 2260950033 LHDDSBRDZVZWLW-CYBMUJFWSA-N 282.518 4.789 30 10 CJEE CSCC1(C[C@]2(C#N)CCCC(F)(F)C2)CCC1 2260965299 PCHWJQACLRDKIT-CYBMUJFWSA-N 273.392 4.629 30 10 CJEE C=C(C)CCCC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2261451581 UZGZZLMYSZDOBS-HUUCEWRRSA-N 252.442 4.946 30 10 CJEE CCCCCCC[C@H](OCCN)C(C)(CC)CC 2262889945 YZVPCCFOXFVUGE-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE C#CC(C)(C)C[C@@](C)(O)CCCCCCCCC 2263659353 GBWSLJRWASPPAA-KRWDZBQOSA-N 252.442 4.928 30 10 CJEE C[C@H](CCS)CCN(C)CC[C@H]1CCCCC12CC2 2264862904 KKCYGHVHXASELA-JKSUJKDBSA-N 283.525 4.625 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CC(F)(F)C12CCC2 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CJEE C=C(C)CCCC[C@@H](CCc1cccnc1)NCCC 2287465757 MKTOTOFFNNVCME-SFHVURJKSA-N 274.452 4.519 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2287466588 QKJONLSLGQMBSA-QXSJWSMHSA-N 285.422 4.782 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)CCCOC1(C)C 2287466648 QXTNUJDNUVAOAJ-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(C(C)(C)C)ccn1 2287467666 PMOKUDMMPFHUJR-MRXNPFEDSA-N 274.452 4.776 30 10 CJEE N[C@]1(C#CC2CCCCC2)CCCC2(CCCCC2)C1 2289699787 FVGYFZGYNPVNEJ-IBGZPJMESA-N 273.464 4.792 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2289700850 QMQXLAIDIFDGIZ-ISARSNTHSA-N 275.480 4.621 30 10 CJEE C=CCCCC[C@@](C)(OCCC(=O)O)c1sccc1C 2291473968 JQEKGNZYGUPEPE-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE C=CCCCCCCC[C@](CC)(OCC(=O)O)C1CC1 2291809664 MJPYAQWGUYONMZ-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@H](C)C(C)(C)C 2292783619 CCILWDYARGOVFW-DLBZAZTESA-N 283.500 4.929 30 10 CJEE C=CCCC[C@@]1(OCCN)CCC[C@@H](C(C)(C)C)CC1 2293879244 PJRNYIZWSLIWPN-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@@]1(C)C[C@H]1C 2293995911 ZREZYKZXWCXVRV-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1C(C)C 2294000051 IKNMBVZEVUIHKG-KURKYZTESA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@@]1(C)CC1(F)F)OCCN 2294013672 ZCLCHKSUABYIQW-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCN)C1CCC(C)(C)CC1 2294265610 BJKQITKYUGSXPU-GOSISDBHSA-N 281.484 4.539 30 10 CJEE N#Cc1c(F)cccc1-c1ccc2cccc(Cl)c2n1 2294977960 AGYLTACLQYPOPO-UHFFFAOYSA-N 282.705 4.566 30 10 CJEE CCCC(CS)(CCC)COCCc1ccc(F)cc1 2295164457 RCRGJTPNOQSNOF-UHFFFAOYSA-N 298.467 4.901 30 10 CJEE CC(C)c1ccccc1[C@@H](O)C#Cc1ccccc1Cl 2295217696 VTLVHFSQDBCFHN-SFHVURJKSA-N 284.786 4.549 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccc(C)s1 2295688221 CMVHCOFVOLELRK-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@H](C)c2cc(Cl)sc2Cl)C1 2298209889 BMQMALXTCNBJOX-KXUCPTDWSA-N 288.243 4.507 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cc(Cl)c(Cl)s1 2300182067 BDSDVIBDEBFUAB-SKDRFNHKSA-N 290.259 4.889 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCC[C@@H]2CC[C@H]12 2309524353 DDYNUCBVGAFFNX-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCC[C@@H]1NCC 2313525550 XWMYDSUTXGMZBV-HRCADAONSA-N 269.498 4.775 30 10 CJEE C=CCC(CC=C)SCCNc1ccc(C)cc1 2313690933 BHSCVXLJPREISF-UHFFFAOYSA-N 261.434 4.661 30 10 CJEE C=CCCCC[C@@H](NC)c1c(F)ccc(C)c1Cl 2314002308 LPLXBHJVZWTYFN-CYBMUJFWSA-N 269.791 4.794 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@@H](CC)CC1 2316731076 UZRFGTGEWPMBCC-OIISXLGYSA-N 250.426 4.722 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)CC1CCCCCC1 2316930005 VAYMDXOZQMYCAD-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE N#C[C@H](CCCCC1CC1)Nc1ccc(Cl)cc1 2318886703 YUNJPGMDOCBSBE-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](CC1CC1)C1CC1 2320800541 AIUMSZXNDMOBQF-IAGOWNOFSA-N 251.458 4.761 30 10 CJEE CC1(C)CC(CS)(CSc2ccc(F)c(F)c2)C1 2321754471 DLJJXIXLQPPYIC-UHFFFAOYSA-N 288.428 4.793 30 10 CJEE C#CCCCCCOCc1cc(F)c(Cl)cc1Cl 2325252533 DVLFNEPEAUCDTB-UHFFFAOYSA-N 289.177 4.843 30 10 CJEE CCCCCCCCCCCCC[C@H](CN)OC 2327113222 QQZKKNXOXBNTOS-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C[C@H]1CCCCC1=NOCCOc1cccc2ccccc12 2329917619 JCKQLFNFPZRKIJ-HNNXBMFYSA-N 297.398 4.801 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](NCCC)CC2(CCC2)C1 2335103807 QXAWXPHOPUJRSK-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H](C)CC1CC1 2335188858 UTSAEELBCQTYAX-WBVHZDCISA-N 269.473 4.517 30 10 CJEE Cc1ccc(CSC[C@H]2CC[C@H](C)CC2)cc1C#N 2335351993 KXPBWQUPMOFRGX-CTYIDZIISA-N 273.445 4.926 30 10 CJEE CCCC#CC[C@@H](NCC)c1c(F)ccc(C)c1Cl 2335580579 GQAFRXUQTQNUPJ-CQSZACIVSA-N 281.802 4.632 30 10 CJEE C=CC1(Cc2ccc(C(F)(F)F)cc2OC)CCC1 2336934075 HFONVVNXEGOQHM-UHFFFAOYSA-N 270.294 4.613 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)cc1Cl 2337080008 BHPUCWXFWBAONA-MQIPJXDCSA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C1CC2(CCCCC2)C1 2338748219 XPYMULFELKBKLZ-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE Cc1c(F)ccc(C[C@]2(C#N)CCC(F)(F)C2)c1Cl 2339207515 PTWCNORTTHGAFV-CYBMUJFWSA-N 287.712 4.659 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)CC(C)(C)Cc1ccccc1 2339454799 DNWLDCOWBGERBW-CRAIPNDOSA-N 255.405 4.975 30 10 CJEE CCSc1cccc(O[C@@H](C)[C@@H](C)C(C)C)c1C#N 2339906278 WDZUTQHSNOENHC-STQMWFEESA-N 277.433 4.730 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(COC)s1 2342247773 KJAQEDBIPOQDBP-CQSZACIVSA-N 283.481 4.733 30 10 CJEE CCC[C@@](N)(CCCCC(F)(F)C(F)(F)F)C(F)F 2342332841 ISMHPVOMIAVBHZ-SECBINFHSA-N 297.258 4.507 30 10 CJEE C#Cc1c(F)cc(N[C@@H](CC)c2cccs2)cc1F 2344198958 WUOYGACKJBWKFK-AWEZNQCLSA-N 277.339 4.571 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCC2(CC2)C1)NCC 2344336924 MRAILEYXVOUOFK-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC1(F)F)NCCC 2344337295 PKYKQHFNCJCMFT-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1C[C@H]2CCC[C@H](C1)C2 2344457321 NHBQNMMSPRIJPF-ONIAQPFYSA-N 264.453 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@@H]1CC12CCC(F)(F)CC2 2344458233 WLDGVXYWWGXDKY-OLZOCXBDSA-N 272.379 4.555 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc2c(c1)CCCC2 2344468554 PDUOLGRNQGWTEQ-ROUUACIJSA-N 258.405 4.591 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)cc(O)cc1Cl 2351668749 IYYHGHOYVZMGHO-AWEZNQCLSA-N 287.806 4.935 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(C(C)C)ccn1 2352780661 KIPQPEINBQAASK-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NCC2(CC#N)CC2)c1Cl 2353016557 QOJIPNJDXRKXAE-NSHDSACASA-N 297.229 4.646 30 10 CJEE CCCC(CS)(CCC)COC[C@@](C)(F)C(C)(C)F 2353202773 XQKTUXSNNBUOTR-CQSZACIVSA-N 296.467 4.996 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@H]2C(C)(F)F)CC1 2354656600 UVDPQJJTXHNKFR-BZUAXINKSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C1[C@@H](C)[C@@H]1C 2360179639 JIOJVHUNHARAMG-XYJFISCASA-N 283.500 4.763 30 10 CJEE Cc1ccc(/C=C/C(=O)c2ccc(N=[N+]=[N-])cc2)cc1 34985711 YYIPXXIMBLUJOK-IZZDOVSWSA-N 263.300 4.833 30 10 CJEE C#Cc1cccc(NC2CC(c3ccc(Cl)cc3)C2)c1 36840826 BDTLDCRKDFTVGT-UHFFFAOYSA-N 281.786 4.679 30 10 CJEE C=CCSc1ccccc1NCc1ccccc1OC 37496220 HRQYLFSZEXCESQ-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCCc2ccccc21 37938313 SXRXXJFRELMIQE-QGZVFWFLSA-N 282.774 4.507 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cccc(Cl)c1Cl 37938813 APICFHMWIYJGKB-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE CCc1ccc(C[C@H](C#N)c2cccc(Cl)c2)cc1 41391013 XDFIBOMXOUBINP-MRXNPFEDSA-N 269.775 4.752 30 10 CJEE Cc1cccc(NC2(C#N)CCC(C(C)C)CC2)c1 54557250 QZMQJYJGZYJYBX-UHFFFAOYSA-N 256.393 4.516 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2cccc(Cl)c2)cc1 57685839 NFBLXYMWAOFXLR-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(F)ccc1OC 59290979 DLOZMHHAWNNBMV-INIZCTEOSA-N 281.415 4.845 30 10 CJEE CCCCCCCCOCC(=O)c1cc(C)ccc1C 59526237 DYIPEJKXCHBRDX-UHFFFAOYSA-N 276.420 4.863 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccccc1Cl 86580119 JLSOYUTVVJXXKS-OAHLLOKOSA-N 289.806 4.877 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(F)cc2Cl)C1 87930401 FSALZKFZQIMPFJ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CC1CCC(C#N)(Cc2ccn(C3CCCCC3)n2)CC1 87930583 UIXQLQJJXPQJRZ-UHFFFAOYSA-N 285.435 4.651 30 10 CJEE CCCCCCCCCC[C@@](C)(O)CCNCC(C)C 91505480 BBDXPMYKFKLOSZ-GOSISDBHSA-N 285.516 4.904 30 10 CJEE CC(C)(C)c1ccc([C@H](O)C2(C#N)CCCCCC2)cc1 91880612 KMPVSBPSAFCIGY-KRWDZBQOSA-N 285.431 4.882 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@H](C(C)C)CC2)C1 91903448 CCJNDBQZKIHQBT-OWSLCNJRSA-N 277.452 4.674 30 10 CJEE CCCc1c(-c2cc3ccccc3o2)sc(C#N)c1N 93074472 RCKZYPOWYGJDCZ-UHFFFAOYSA-N 282.368 4.568 30 10 CJEE CC[C@H](CS)CN(CC)c1cccc2ccccc12 94578507 HASNUTGENPDDFO-AWEZNQCLSA-N 273.445 4.622 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](CS)C(C)(C)C 94579643 QSYLOULRMTXSPJ-OCCSQVGLSA-N 299.911 4.925 30 10 CJEE CCCC(CS)(CCC)CN1CCC(C)(C)CCC1=O 94587744 FNHKKBZBIVJXKI-UHFFFAOYSA-N 299.524 4.542 30 10 CJEE Cc1cccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)c1 103029801 LAFPXBFQCWZKBX-QXMHVHEDSA-N 279.383 4.927 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCCOC)C1 104430126 GGPQBKIOMJGIGB-RRFJBIMHSA-N 283.481 4.501 30 10 CJEE CCCC#CCCc1ccc(OCC)c(C(C)C)c1 107598940 ASFGXYQFYAWTJV-UHFFFAOYSA-N 258.405 4.945 30 10 CJEE CC#CC[C@H](C)c1ccc(Oc2ccccc2)cc1 107634042 XWTXGMMHFDRGAS-HNNXBMFYSA-N 250.341 4.996 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccccc1)NC 109721347 SFFQJCCLEMLCLY-SFHVURJKSA-N 261.453 4.958 30 10 CJEE CCCCCCCCOCCNC1CCC(C)CC1 110239673 RTGNNTZNESJIOF-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE Cc1c(F)cccc1Nc1ccc(C#N)c(C(F)(F)F)c1 110256942 ZILVZYBSJNJRBC-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCOc1ccc(C#N)cc1OCC 110267616 KDWAKRGLDJYMJQ-UHFFFAOYSA-N 275.392 4.696 30 10 CJEE CCCCCCCCO[C@@H](C)C[C@H](C)NCCC 113534970 BWDKUMDZIHOTJM-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@H](NC)C1(N(C)C)CCCCC1 118181341 YNTHGMYKFUGWAQ-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@]1(CN)CCCC(C)(C)[C@H]1O 124174442 JFQACHJXBQOIHV-SJLPKXTDSA-N 283.500 4.643 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCC[C@H](N)C1 131792069 IYUNULJLJMWFIX-ZWKOTPCHSA-N 283.500 4.930 30 10 CJEE CCSc1cccc(N(C)Cc2ccc(C)cc2)c1C#N 136617667 UKJLNUQKZUXXOG-UHFFFAOYSA-N 296.439 4.615 30 10 CJEE CSc1cccc(Oc2cc(C)ccc2F)c1C#N 136720335 BJAYVJZKQABCMC-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCCC[C@H](NCC)c1snnc1C(C)(C)C 139581995 RFDYWSHTQKNOCK-ZDUSSCGKSA-N 297.512 4.847 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C)CC[C@@H]1CNCC(C)C 156005729 LSJNDHMBICVGDB-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CC#CCCN[C@H](c1cccs1)c1ccc(Cl)s1 158310044 HRKFOLZCZXUJNQ-CQSZACIVSA-N 295.860 4.555 30 10 CJEE CCCCCCCCNc1ccc(N)c2ncccc12 159125990 OWNHYLDJDYPEGU-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCCCNC[C@@H]1CSc2ccccc21 160933993 IHORIGGBZLKTEQ-OAHLLOKOSA-N 277.477 4.826 30 10 CJEE CCCCCCCCC[C@@H](NC)C(CC)(CC)OC 164491540 ZSAYXFJDYZEBRE-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H](C)N 167579781 DRVLZPDTFRMZLV-OAHLLOKOSA-N 255.446 4.604 30 10 CJEE CCCCCCCCCCCCC(=O)[C@](C)(N)C1CC1 167848762 PDPTUTYXCPMQCD-GOSISDBHSA-N 281.484 4.994 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1nccs1 190913339 IMBUOACLZXBOJS-UHFFFAOYSA-N 272.417 4.607 30 10 CJEE CCCCCCCCO[C@@H](CCC)CNCC(C)C 211400879 CSOIPARBMZGEMV-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC1(CS)CCC1 227281685 UOLFUEMWBKLCBG-KFWWJZLASA-N 270.482 4.564 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](OC)C1CC1 227416652 MYSGWINHHANPBQ-INIZCTEOSA-N 254.414 4.511 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)C 227531679 LUBXCTPOXOOLRS-IKGGRYGDSA-N 251.458 4.639 30 10 CJEE N#Cc1cccc(Nc2ccccc2SC(F)F)c1 227604651 YGSWHIIMDAAHRN-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE C=C(C)CCC(=O)c1cccc(Br)c1Cl 228696292 CAFBUIBGVHKMCA-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(F)cc(F)cc1F 229757324 UIVNCASEZFDIIU-CQSZACIVSA-N 271.326 4.501 30 10 CJEE CCCCCCCCC[C@H](CO)Nc1ccccc1C 232984192 BEVMZTHHVKDNDT-QGZVFWFLSA-N 277.452 4.909 30 10 CJEE C=CCCCCC[C@H](CSCC(C)C)NCCC 233163509 SSXVFPIDDOQIJX-MRXNPFEDSA-N 271.514 4.880 30 10 CJEE C=CCCCCCOc1ccc(C)cc1[C@@H](C)NCC 233587125 LHCRPHZYSSALRX-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE CC[C@H](C)c1ccc([C@@H](C)CC=O)cc1Br 258815316 YJKHNGHMEMXOHA-QWRGUYRKSA-N 283.209 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O=C1CCCCC=C1c1ccc(-c2ccccc2)cc1 2183442442 FZFPSLXIQCWCHM-UHFFFAOYSA-N 262.352 4.880 30 10 CJEE N#CCCCCCNC1CCC2(CCCCCC2)CC1 2185823291 SVDNVSNGVZNJPX-UHFFFAOYSA-N 276.468 4.943 30 10 CJEE C=CCC(C)(C)O[C@@](CC)(CC1CCCCC1)C(=O)O 2187209253 ZIBDZEALAFUKDY-KRWDZBQOSA-N 282.424 4.562 30 10 CJEE CCCN[C@@H]1CC[C@H](C(C)C)C[C@H]1CC#C[Si](C)(C)C 2187480878 OMEWKRDZFSVSAL-RCCFBDPRSA-N 293.571 4.698 30 10 CJEE C=C([C@@H](NCCC)[C@]1(C)CCCC(F)(F)C1)C(F)(F)F 2188662856 HOADSVIIHNRLSV-VXGBXAGGSA-N 299.327 4.689 30 10 CJEE CCc1ccc(C#N)c(NCC(C)(C)C2CCCC2)c1 2188845485 VBYWITPMQJTRCB-UHFFFAOYSA-N 270.420 4.749 30 10 CJEE CC[C@@](C=O)(CN(CCC(C)C)C1CCCC1)C(C)C 2190482196 NUKFCKVPNOSQNI-SFHVURJKSA-N 281.484 4.528 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(O)CCC=C(C)C 2190615419 OBUAKCCTNPWTFD-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc2c(c1)CCO2 2190805481 LUIFCZIDFVXTQN-GOSISDBHSA-N 275.436 4.546 30 10 CJEE CCC1CCC([C@@H](C)Nc2nc(Cl)ccc2C#N)CC1 2192698714 XHOFKAQPPVCSNL-PNESKVBLSA-N 291.826 4.623 30 10 CJEE CCCC1CCC(CN2CCCC(C)(C)[C@@H]2C#N)CC1 2193062622 XKJVGLVZUKPXGE-JCYILVPMSA-N 276.468 4.607 30 10 CJEE CCCCC[C@H](CC)N(C)CC1(C=O)CCCCCC1 2193566670 BMTDYTUUCGLVPV-KRWDZBQOSA-N 281.484 4.817 30 10 CJEE SCC1(CN2CC[C@@]34CCCC[C@]3(C2)C4)CCCCC1 2195152774 CJTUFMJOBOFCHD-QZTJIDSGSA-N 293.520 4.523 30 10 CJEE CCCCCCCCCN1CCN(CCC)CC1(C)C 2195537483 QFEAMCSRHKTNDZ-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE CC#CCCCC[C@H](Cc1cccc(Cl)c1F)NCC 2196169984 PWHUJLDZVPJTPI-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CCCCCCCCN(C)Cc1nc(CC(C)C)ns1 2196712111 VQYADJCSGLCPMI-UHFFFAOYSA-N 297.512 4.529 30 10 CJEE C#CC[C@@H](C[C@@]1(O)CCCC2(CCCCC2)C1)C1CC1 2196720662 VRNVCYFYKBQABA-HKUYNNGSSA-N 274.448 4.682 30 10 CJEE C#CC[C@H](C[C@](C)(CCCC)CNCC(C)C)C1CC1 2196859213 RTKQKBPOFGYQLS-MOPGFXCFSA-N 277.496 4.868 30 10 CJEE C#CC[C@H](C[C@H](NCC)C1CCC(CC)CC1)C1CC1 2196860133 YBMXWXZHRNZJLU-AWRGBYNESA-N 275.480 4.621 30 10 CJEE CCCCN(C1CCCC1)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 2197175224 VHOVQMJRFRESAL-XYJFISCASA-N 276.468 4.750 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C1CCC1 2197835444 YWTNWZQPPLHZFU-KBXCAEBGSA-N 271.448 4.989 30 10 CJEE CCN[C@@H](C)c1ccc(-c2ccc(Cl)c(C#N)c2)cc1 2197940149 HPCIRWMPQUHWMD-LBPRGKRZSA-N 284.790 4.549 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@]12CCOC2)NC 2198176088 CMLVBKSRWJVBSH-KURKYZTESA-N 281.484 4.532 30 10 CJEE CCCCCC#CC[C@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 2203750888 KJEZVZFCCHNEIT-CWBGTKBPSA-N 274.448 4.538 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cccc(C2CC2)c1 2203818288 DVCJHCMWAAOPAR-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCC#CC[C@H](NC)C1C2(CCC2)C12CCC2 2203974397 SDOVCOSZQWEQNJ-INIZCTEOSA-N 273.464 4.519 30 10 CJEE C#C[C@@H](N[C@H](C)c1cc2ccccc2s1)C1CCCC1 2204048834 XXQNKDXQPNOAFK-CZUORRHYSA-N 283.440 4.744 30 10 CJEE CCCCCCCCCCOc1cc(C)ccc1CN 2204632751 BWHQTPHFJXFISQ-UHFFFAOYSA-N 277.452 4.973 30 10 CJEE C#CCCCCCN[C@@H](C)c1oc2ccccc2c1C 2206334067 JWWCDBMLEQSHME-HNNXBMFYSA-N 269.388 4.585 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1cncc(F)c1 2206887773 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CC(C)P(=O)(C[C@H](C#N)C1CCCCC1)C(C)C 2217545093 LXRVUMCEQWEEMY-HNNXBMFYSA-N 269.369 4.886 30 10 CJEE C=CCCCCCCC[C@@H]1CCCC[C@@H]1CNC 2220090829 DHNCVMNBWPIABN-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C[C@@H](CCCCC)OCC(=O)c1ccc(Cl)s1 2223284054 ZQFYAVMKGPQZSX-NSHDSACASA-N 286.824 4.736 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@]2(C)C[C@H]12 2223850523 LSUPDOVFXIZGPD-HZMVEIRTSA-N 251.458 4.904 30 10 CJEE C=C1CCC(CC(=O)Cc2ccc(F)c(Cl)c2)CC1 2225074297 WLBLCIUKIINTBV-UHFFFAOYSA-N 280.770 4.727 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC12CCC2 2225346842 BUFDEHRFQDYIIL-KYHPRHEASA-N 260.421 4.742 30 10 CJEE CCCC#C[C@@H](NCCC)c1csc2ccccc12 2225434744 VAXFDJGPXUHVAZ-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CCC#CC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225672878 AUUDKOORUCEBDU-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE C=CCCCCCCCN1CC[C@@H]1c1ccccc1 2227280669 OMAULXFGHKVZNU-GOSISDBHSA-N 257.421 4.960 30 10 CJEE C=CCCCCCCC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCC 2227287719 MPKXEOLPXVXHBZ-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@](C)(N)c1ccnc(C(C)C)c1 2228167444 BOVNISMWZYAPLK-KRWDZBQOSA-N 262.441 4.739 30 10 CJEE C[C@H](N[C@H]1CCCC[C@H]1C#N)c1cc(Cl)cc(Cl)c1 2229695733 RYEDUEKLDBFLMZ-PGUXBMHVSA-N 297.229 4.726 30 10 CJEE CCCCCCCCCCOc1nc(C(C)=O)cs1 2231023836 XDKWNBGELFXTLF-UHFFFAOYSA-N 283.437 4.865 30 10 CJEE CCCCCCCCCCCOC[C@H]1CCC[C@@H]1N 2231078990 KQXNNUHAWTZICP-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@]1(C)CNC[C@](C)(C(C)C)O1 2231930168 PDEDUKPOEKYZAS-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC(F)(F)C1 2233697389 NYBQMQKIJHQNSQ-JJXSEGSLSA-N 284.390 4.988 30 10 CJEE C=CCCCCCCCOc1ccc([C@@H](C)N)cc1F 2235521709 LTBJNVQOHNXJJF-CQSZACIVSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(N(C)C)cc1 2235526100 HSVKMUXLGQTYHR-UHFFFAOYSA-N 273.420 4.852 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H](NCCC)[C@H]1C 2239465884 ZJXSVOHEYADPAT-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@@](C)(CCC1CC1)C(=O)O 2239527847 FNIDXPAHNRWKHH-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@](C)(O)c1c(F)cc(F)cc1F 2239612958 FZYZVMUQYDGCPV-INIZCTEOSA-N 286.337 4.838 30 10 CJEE N#CC1(CO[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 2239950889 RNLLERJPLHSCCM-STQMWFEESA-N 289.341 4.598 30 10 CJEE CCCCCCCC[C@@]1(C)CC(=O)c2ncccc2O1 2240561811 BMFXKKCJYJRTEE-KRWDZBQOSA-N 275.392 4.556 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCCC)C1CCC1 2240639041 APWULGDEYYIXKK-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H]1C=CCCC1 2240640543 RGXOVTQMTUWBIX-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](C)NCc1ncoc1C1CC1 2240649755 QBCRGGOVHHLIOJ-AWEZNQCLSA-N 278.440 4.781 30 10 CJEE C[C@H]1C[C@H]1CCCCC[C@@]1(C=O)CCC[C@@H](C)C1 2257302677 JZKYOTNIQAGAKI-YYIAUSFCSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCSc1ncc(N)cc1C 2258986533 QIHMCUIURYBRJQ-UHFFFAOYSA-N 264.438 4.591 30 10 CJEE C=CCCCCCCCCNCCC1[C@@H](C)[C@@H]1C 2260463066 NWZHOROEKXRRJX-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE CC1(C)CC=C(C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 2264942243 TWMYVIDKYPHWJW-RYUDHWBXSA-N 274.326 4.671 30 10 CJEE C(C[C@@H]1CC[C@H]2O[C@@H]12)CC12CC3CC(CC(C3)C1)C2 2265016896 NIMHBTYORLPUNU-BVXCGKSQSA-N 260.421 4.551 30 10 CJEE CCCCCCCC(=O)c1ccnc(C(F)F)c1C 2267905633 OTJKBRSHUKZCOS-UHFFFAOYSA-N 269.335 4.871 30 10 CJEE CCCCCCC[S@](=N)(=O)C[C@@H]1CCCCC1(F)F 2267918587 YMJWGCGXKSHUEE-DJJJIMSYSA-N 295.439 4.829 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(CCC)cc1 2268209885 MQFRCXQXEFWAPQ-CRAIPNDOSA-N 259.437 4.892 30 10 CJEE C[C@H]1C[C@H]1CCCCCNc1ccc(C#N)c(Cl)c1 2269521710 PNHCKLLCFJPIPG-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE C=CCCCCCCCSCc1ccc(CNC)o1 2271595372 XOYHSMJKOOGMJT-UHFFFAOYSA-N 281.465 4.759 30 10 CJEE CCC1CCC(C=O)(C[C@H](CC(C)(C)C)OC)CC1 2271713340 AYAVMEAMQXPZIQ-CKDBGZEDSA-N 268.441 4.613 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(OCCC)cc1 2271764002 LWPYMWFOOXHFBL-KRWDZBQOSA-N 261.409 4.612 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1sccc1OC 2271836763 KLMBOIFLCDFDON-CQSZACIVSA-N 281.465 4.934 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)[C@H](CC)CCC 2272066973 FVWKDEBJGWOWFC-WBVHZDCISA-N 270.457 4.883 30 10 CJEE CCCCCCCC[C@H](C[C@]12CCC[C@@H]1CC2)NN 2273502514 VAXNZDWTQVFPGT-BRWVUGGUSA-N 266.473 4.539 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C(C)(C)C(C)(C)C 2274069700 AXUBXOYMWVCPCI-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC(C)[C@H]1CCC[C@](N)(CC#CC2CCCC2)CC1 2274164452 KNFBCJRBPKHCSV-ZWKOTPCHSA-N 261.453 4.504 30 10 CJEE CCCCCC#CC[C@H]1C(=O)C(C)(C)CCC1(C)C 2274554244 ZAWWSNJJHZMPDK-HNNXBMFYSA-N 262.437 4.992 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)C1CCC1 2276458831 XZTGQVVOARKZTG-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@@H](C)[C@H]1C 2276761960 OVUOOBYUYREHGZ-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](CC)(OCCN)c1ccsc1 2276767546 NNBFJMPSSOGKAP-INIZCTEOSA-N 283.481 4.689 30 10 CJEE FC(F)(F)c1cccc(OCCCCCCCS)c1 2277441683 BYWPQBGQNNEDSA-UHFFFAOYSA-N 292.366 4.965 30 10 CJEE CN(CCCCCCCS)C[C@]12CCCC[C@H]1CC2 2277502239 QWJHSZBDKJCXFK-DLBZAZTESA-N 283.525 4.769 30 10 CJEE C[C@H]1CCC[C@](C#N)(C2C3CC4CC(C3)CC2C4)C1 2277567865 PAKKHDIMGAOSIF-NGLXHFHWSA-N 257.421 4.779 30 10 CJEE CCCCCC#CCC(=O)Cc1ccc(Cl)c(F)c1 2277792732 PEVIPPWHTYJROU-UHFFFAOYSA-N 280.770 4.565 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2CC[C@H](C)[C@H](C)C2)c1 2277803218 GBCPYGGWOYQHEP-JJRVBVJISA-N 251.373 4.620 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277877650 FHOILAJVCWSCBF-GHMZBOCLSA-N 289.366 4.692 30 10 CJEE C=C[C@@H](C)C[C@@H](CC1(C)CC(C(F)(F)F)C1)NCCC 2279507800 HGNLNDYFPKOXGD-JLVJUDLZSA-N 291.401 4.936 30 10 CJEE C[C@H]1CCC[C@@H](CCn2ccc3c(C#N)cccc32)C1 2279813926 SHEQGWCDNNHAFE-GJZGRUSLSA-N 266.388 4.729 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C=O)CCc3ccccc32)C1 2279887882 ZMJBYUALUMFGOZ-GPMSIDNRSA-N 270.416 4.676 30 10 CJEE CCc1ccc(C#N)c(SCC2(OC)CCCCC2)c1 2280287288 GZEHHNHEKNFQFT-UHFFFAOYSA-N 289.444 4.562 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccccc1OC(F)F 2282902280 YOKQVQTYLRYDBT-INIZCTEOSA-N 284.346 4.616 30 10 CJEE CCCc1ccc(CN(C)C[C@@H](CS)C(C)(C)C)cc1 2283526102 VZYMZBQHZFLVIK-KRWDZBQOSA-N 293.520 4.663 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)c1c(C)sc(C)c1C 2283729531 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C=CCCCCC[C@@]1(OCCN)C[C@H](C)CC(C)(C)C1 2294034295 YCHZKHHSPQGTTC-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C=CCCC1(C)C 2294046256 ZWSAMTPXTGNMEI-SFHVURJKSA-N 279.468 4.603 30 10 CJEE C#Cc1ccc2c(ccn2C[C@@H](F)C2CCCCC2)c1 2295168327 XUPUTFYLOMJNMM-QGZVFWFLSA-N 269.363 4.541 30 10 CJEE C=CCCCC[C@H](N)[C@@](C)(O)CCCCCCCCC 2295674537 RZWZKXNJUKUTST-ROUUACIJSA-N 283.500 4.952 30 10 CJEE N#C[C@@H]1CCCO[C@@H]1c1c(Cl)ccc(Cl)c1Cl 2301296342 NYGIAHRNKYPCFH-MADCSZMMSA-N 290.577 4.638 30 10 CJEE C=CCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2302209213 GGWCSBLZTKMUBM-GFCCVEGCSA-N 276.182 4.879 30 10 CJEE CCCC[C@@](C)(C#N)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2309162752 VHYCSFCUQLXJOB-RFQIPJPRSA-N 255.352 4.778 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCC(F)(F)C1 2311617807 HFAUSSAKTDCTRR-MELADBBJSA-N 253.336 4.532 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(C)=O)cc1F 2313623282 HRTXLADGVDZDRE-UHFFFAOYSA-N 264.365 4.641 30 10 CJEE C=C([C@H](N)CCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2318599477 LUBHSCQBNPONOL-CQSZACIVSA-N 286.246 4.856 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)[C@@H]1CCCC(C)(C)C1 2321096321 QPRUADOJDSMCFY-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(Cl)c(C)c1 2321099789 VKWXTCLTIWUSQL-JKSUJKDBSA-N 265.828 4.511 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@@H]2[C@H]3CC[C@H](C3)[C@H]21 2333706394 MHYKZEKXKBMTMP-TZNCUMHOSA-N 262.437 4.700 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)C1C(C)(C)C1(C)C 2335096923 SBZSIJSEMFSZFH-ZIAGYGMSSA-N 283.525 4.735 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(F)cc1 2335104287 YPRYRMXMNRCHQI-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)cc1CN[C@H](C)CC 2335229681 PLFQWJSWWOAKEB-CABCVRRESA-N 277.477 4.940 30 10 CJEE C=CC[C@H](C)Sc1cc(C)cc(F)c1CNC(C)C 2335231391 HXUWGPBHWFPHSO-ZDUSSCGKSA-N 281.440 4.689 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1c(F)cccc1Cl 2337078621 DLXJVKVQGQKECB-SLEUVZQESA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338746839 KIRHVCNRDOODGH-FJIDUMEYSA-N 262.437 4.722 30 10 CJEE C=CCCCSc1ccc(C[C@H](C)N)c(C2CC2)c1 2339165675 LAFQCOZIQGTUDJ-ZDUSSCGKSA-N 275.461 4.512 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cc(OC)c(Cl)s1 2340262670 QIHHHLHENHEKGV-RYUDHWBXSA-N 299.867 4.500 30 10 CJEE C#CCCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2341163648 VKIDUYMQOFTGDG-MRXNPFEDSA-N 299.241 4.871 30 10 CJEE SCC1(CO[C@@H]2CCCC[C@H]3C[C@@H]32)CCCCCC1 2341591514 INJXWORQFTUCPU-HRCADAONSA-N 282.493 4.852 30 10 CJEE CC1=CCC[C@H](CCCCC(F)(F)C(F)(F)F)C1=O 2342333306 AEUCBIIIUJLRAT-JTQLQIEISA-N 284.268 4.670 30 10 CJEE C[C@@H](CS)COC[C@H](c1ccccc1)C1CCCC1 2342481836 KEKGYPGGZLCICH-RHSMWYFYSA-N 278.461 4.543 30 10 CJEE C=C([C@@H](NC)c1cccc(C2CCC2)c1)[Si](C)(C)C 2343775711 JICRJKHPOBNDTB-QGZVFWFLSA-N 273.496 4.648 30 10 CJEE N#C[C@]1(Cc2cccc(C3CCC3)c2)CC=CCC1 2343807788 BJPAJOGXNFFODO-GOSISDBHSA-N 251.373 4.747 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC(C(F)(F)F)C1)NCC 2344358915 WROWJJHCFSZMPH-WXRRBKDZSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc2ccccc12 2344460978 WINGKWWHTDWCIS-ZWKOTPCHSA-N 254.373 4.866 30 10 CJEE CCCCCCCCCCCOc1cnnc(F)c1 2345498166 AGFYTBMVFZNSHN-UHFFFAOYSA-N 268.376 4.525 30 10 CJEE CC(C)CCN(CC(C)C)C[C@](C)(CS)C(C)(C)C 2352069809 VVUMMUBYNVRZDX-QGZVFWFLSA-N 287.557 4.973 30 10 CJEE COC1CC(C#N)([C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353186786 RYQRQMBTHNDAJD-RWWNRMGGSA-N 298.213 4.724 30 10 CJEE C=CCCC[C@H](NC)C1CCC(CC(F)(F)F)CC1 2353595168 GNCRIGALIOORTJ-RUXDESIVSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2C[C@H]2C2CCCCC2)CC1 2357698481 ZLYAADQZADXNRY-IPMKNSEASA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@@H]2CC[C@H]1C2 2360080951 GBEIGCPWKUTQHK-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)SCC[C@@H](NCC)c1ccccc1 2360200394 HJAJTIBWYWIWGP-GOSISDBHSA-N 289.488 4.981 30 10 CJEE C=CCC(CC=C)Oc1cc(C)sc1CN[C@@H](C)CC 2360213915 BEAIYQOGQMHNOJ-ZDUSSCGKSA-N 293.476 4.844 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1F)c1ccc(C#N)cc1 35284379 OLLGQYVWPMDWIO-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](SC2CCCCC2)C1 37685613 HKYXSSANFUNEMM-KCQAQPDRSA-N 251.439 4.771 30 10 CJEE c1ccc2c(/N=C3/NC4(CCCCC4)CS3)cccc2c1 53097544 HXTXDEGDTOAMLV-UHFFFAOYSA-N 296.439 4.867 30 10 CJEE N#CC[C@@H](Nc1ccc(F)cc1Cl)c1ccccc1 55016242 IAIQLHKSFDFURZ-CQSZACIVSA-N 274.726 4.546 30 10 CJEE CCC1CCC(N(C)[C@@H](CC#N)c2ccccc2)CC1 55020443 VMMZKXKMLZVANY-VJFUWPCTSA-N 270.420 4.542 30 10 CJEE Cc1cc(C)c(OCC[C@@](C)(C#N)c2ccccc2)cc1C 57687693 VJCDZLPAIZECEO-FQEVSTJZSA-N 293.410 4.862 30 10 CJEE CCCCCCCCOCc1ccc(N)c2cccnc12 59226924 PBXRRQQRZBKIED-UHFFFAOYSA-N 286.419 4.694 30 10 CJEE CCCCCCCCCCCC[C@@H](O)Cn1ccnc1 59657922 ISXSIAYUMWRAON-QGZVFWFLSA-N 280.456 4.555 30 10 CJEE CC(C)c1cc(CC#N)c2ccc(Cl)c(Cl)c2n1 82467778 FNJYYRMUUMFANP-UHFFFAOYSA-N 279.170 4.731 30 10 CJEE CSc1ccc(C)cc1C(=O)/C=C/c1ccc(F)cc1 83193162 BSFWLQFIOMQLAO-RMKNXTFCSA-N 286.371 4.752 30 10 CJEE SCC1(COc2c(Cl)cc(Cl)cc2Cl)CC1 87077874 QIKQLRCLYLABPZ-UHFFFAOYSA-N 297.634 4.736 30 10 CJEE CCc1cccc(OCC2(CS)CCCCC2)c1 94583885 DXTXVPKLMBFJLQ-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE COc1cccc(COCCCCCCCCCS)c1 97799628 SXCSRUNFXFKXOL-UHFFFAOYSA-N 296.476 4.872 30 10 CJEE CCCCCCCNCc1cc(Cl)ccc1F 106265557 NJIYIGREWAGAAM-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](C)c1cccc(Cl)c1Cl 107499630 YFJOZLCNHSLFJC-ZHAHWJHGSA-N 259.176 4.664 30 10 CJEE Cc1ccc(Oc2ccc(C#N)cc2Cl)c(C)c1 110260604 CKMCQERQRMPXID-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C(C)=O 111692139 OECCOMZXGKYNAY-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE N#Cc1cc(Cl)nc(Nc2ccc3ccccc3c2)c1 122740725 RXMGQNLUJDEPBG-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C#CCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 122961345 CDERKOBPESMIKX-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE N#CC1([C@H](O)c2coc3ccccc23)CCCCCCC1 124295437 BOOSVMCZDHYOMM-QGZVFWFLSA-N 283.371 4.720 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2cccc(C#N)c2N)c1 125746169 UKOWGPKMSHYEGI-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CCO[C@H]1C 126029827 UCDWMBBECMKRHS-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@H](C)OC 129154091 ZBWNTHRFIFKYJD-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCn1c(S)nc2c(OC)cccc21 134960892 CGMANYBXURVWAH-UHFFFAOYSA-N 292.448 4.694 30 10 CJEE C[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)c2ccccc21 163709768 VWZOIRNWZMSHMX-KPZWWZAWSA-N 280.346 4.748 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)c2)C1 164432785 DEHOQGWVZRLRKP-WCQYABFASA-N 296.336 4.592 30 10 CJEE CCCCN(c1ccc(C(F)(F)F)c(C#N)c1)[C@@H](C)CC 164445561 MRPAFRHTJHIOSP-LBPRGKRZSA-N 298.352 4.982 30 10 CJEE Cc1cc(F)cc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164483075 ZRXAYTOKERIOPP-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCC[C@@H](CCc1cccs1)NC 166404575 KVLJZEUGRBNKGX-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CCN[C@@H](C)c1ccc(-c2ccc(C#N)s2)cc1Cl 167298083 NKRJMTFNAPICAZ-JTQLQIEISA-N 290.819 4.611 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1OC(C)C 185835193 AEQLVYLZZFZADU-LBPRGKRZSA-N 295.810 4.668 30 10 CJEE CC(=O)/C=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 195778018 TWDPBGDKUCRDCL-HJWRWDBZSA-N 274.404 4.589 30 10 CJEE C=C(/C=C/CCC[C@H]1CCCC1=O)C[Si](C)(C)C 205187171 GGVZRBAZHGBTTA-PPYMECGQSA-N 264.485 4.977 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccco2)C1 222267508 RXNOYKQLOISFSQ-IPYPFGDCSA-N 263.406 4.621 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1ccccc1Cl 227611386 VUSDPDKBTLCECP-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCC[C@H](NC)c1cccc2ncccc12 228906023 NXJGVOSDPVZHON-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCCCCC1 232974938 QESWMQOTMJHMPM-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C=C1c2ccccc2[C@]2(NC(=O)OC(C)(C)C)CCCC[C@@H]12 238135695 XHFDNUDEONHSRQ-KXBFYZLASA-N 299.414 4.624 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NC[C@H]1CC 250814260 INRUWJPDEBVLDZ-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 250831307 RFSCGEAQLHTDAV-GVDBMIGSSA-N 281.484 4.530 30 10 CJEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@](C)(O)CCC[C@]23C)C1 257515456 PRMYVLHDWLBDQX-RHQZKXFESA-N 274.448 4.866 30 10 CJEE CC(C)c1nc2ccc(C3(C#N)CCCC3)cc2s1 260633885 RLIANHPNBZZKRT-UHFFFAOYSA-N 270.401 4.755 30 10 CJEE N#CC1(c2ccc(C3CCCCC3)c(F)c2)CCC1 260923294 ZUWVIEVTSQYEGT-UHFFFAOYSA-N 257.352 4.819 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@](C)(CC#N)O1 311175528 VVANVFFYVNVMPF-CVEARBPZSA-N 251.414 4.978 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccccc2C(F)(F)F)C1 311342174 LAKZJCJYMHPVLZ-RISCZKNCSA-N 267.294 4.677 30 10 CJEE CCC(=O)c1ccc(Oc2cc(Cl)cc(C#N)c2)cc1 312876662 UHQSRILPOHGDRF-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE CCCC1CCC(C=O)(Cc2cccc(F)c2F)CC1 316876855 QRVMYUCAYKRNMM-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE O=CC1([C@@H]2C[C@H]2c2ccccc2)CCCCCCC1 316974998 IWXILMUXWQATGI-DLBZAZTESA-N 256.389 4.720 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317624998 VOHQFFMJONKDPB-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C#C[C@H](Nc1cc(Cl)ccc1Cl)c1ccccc1 378722491 RJEKKCRRNSKYIY-AWEZNQCLSA-N 276.166 4.780 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H](O)CC2CCCC2)CC1 380338026 XVWHZIDNOSMAQM-ADKAHSJRSA-N 277.452 4.674 30 10 CJEE CCCCCCCC(=O)c1cc(F)cc(F)c1F 381029301 SEXDDKZHXJTDGB-UHFFFAOYSA-N 258.283 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CCCCCCCC[C@@](C)(OC[C@H]1C[C@@H]1CC)C(=O)O 2240612977 FXRJYVKNWOPYOT-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(OC)c(C)c1 2240618280 PYDJNDVQYZGJJO-GOSISDBHSA-N 278.436 4.962 30 10 CJEE C=CC1(CN[C@H](C)CCCCCCCC)CCOCC1 2240642708 PPCVPXSUJLNFCU-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C[C@@H]1CC[C@H](CSCC2(CS)CCCC2)C1 2243693914 XDRRKFYXSOZLMW-OLZOCXBDSA-N 258.496 4.646 30 10 CJEE CC(C)(C)[C@@H](CS)CSCC1(C(F)(F)F)CC1 2247545614 MEXAZUOFZLPFNY-VIFPVBQESA-N 286.428 4.654 30 10 CJEE C=C([C@H](NCCC)[C@H](CC)CCC)[Si](C)(C)C 2250355466 BGVRTUCDSFSJPT-CABCVRRESA-N 255.522 4.615 30 10 CJEE CC#CCCCCNc1cc(F)cc(Br)c1C 2250470837 DTKINTVBSDHLNZ-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H](CC)S1 2252952261 DKJGJNKUMMFILB-LSDHHAIUSA-N 257.487 4.958 30 10 CJEE CCc1ccc(C#N)c(SC[C@@H]2CC[C@H](C)C2)c1 2256669448 PKQJRYDGVDHYRD-GXTWGEPZSA-N 259.418 4.649 30 10 CJEE C=CCCSC[C@H](NCC)c1cc(C)cc(Cl)c1 2259044125 HGPFNSXESKMUSS-HNNXBMFYSA-N 283.868 4.608 30 10 CJEE C=CCCCCCCCSCCCNCC(C)C 2259049753 USVCATQPHBUTGO-UHFFFAOYSA-N 271.514 4.882 30 10 CJEE N#CC[C@@H](SC1CC2(CCC2)C1)c1ccccc1 2260483703 SQCBHGWTKAUSPC-OAHLLOKOSA-N 257.402 4.707 30 10 CJEE CC1(CC2(C=O)CCCCCC2)CC(C(F)(F)F)C1 2264525542 OYDVNMYYKVTAGD-UHFFFAOYSA-N 276.342 4.895 30 10 CJEE N#C[C@H](c1ccc2ccccc2c1)[C@@H]1CCC[C@H]1F 2265011697 ZNJXBFQOJBWONM-GVDBMIGSSA-N 253.320 4.585 30 10 CJEE CC(C)(C)C#CC=CCC1(CNC(C)(C)C)CCC1 2268739104 ZMUDVSPRXAQWMJ-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE CC(C)[C@H]1CCC[C@](N)(CC=CC#CC(C)(C)C)C1 2268752336 JIDSPGCRWXMBKW-FUHWJXTLSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CCN[C@H]1CCCC(C)(C)CC1 2268758436 WRQHTAJPBKQUKU-INIZCTEOSA-N 261.453 4.541 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CCC1CCCC1 2268816868 PSPLFPOEAPZXKQ-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE N#C[C@H](c1cccc2ccccc12)[C@H]1CCC[C@H]1F 2269812586 DCQUXMOZFFSLPA-BRWVUGGUSA-N 253.320 4.585 30 10 CJEE C=CCCCSC[C@H](N)c1ccc2ccccc2c1 2271486125 UJPCHIDGVLISEQ-KRWDZBQOSA-N 271.429 4.539 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1C[C@H]1c1ccccc1 2271785987 RNHVYCJBJMURHK-RCCFBDPRSA-N 257.421 4.515 30 10 CJEE CCCCCCCCCOCC[C@@H]1CCCC[C@@H]1O 2273081523 QCPFLESGMFOTKA-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CCCCCCCCOCC[C@H]1CCCC[C@H]1NC 2273199932 KLLWWNQGTIRNOR-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC[C@@H](C)C2)c(F)c1F 2274091448 MLFOIZCEOSVHGJ-BDJLRTHQSA-N 263.331 4.536 30 10 CJEE C=CCCC[C@H](CCCCCCCC)OCC(=O)O 2275700156 PVPRCXHAPNEZRR-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1CC(C)C1 2276555268 LEUXNEIKYKYTKV-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE C=CC[C@](C)(CCCCCCCCCC)OCCN 2276653269 IJNQFQBSLOCVEF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=C=CCC[C@@H](CCCCCCCC)OCCCN 2276725189 NAINLPQZUBIYIU-KRWDZBQOSA-N 267.457 4.592 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@@H]1CCOC1 2278169320 OPNGRHILSHVIOM-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1cnco1 2278246987 STLIOTUVSXZFJA-CABCVRRESA-N 266.429 4.854 30 10 CJEE CCCC[C@@H](CC)CSCCCC[C@@](C)(C#N)NC 2278319434 AYYMQJHUIGWRKV-CVEARBPZSA-N 284.513 4.608 30 10 CJEE N#Cc1cc(Cl)ccc1OCC[C@@H]1CCCCC12CC2 2279653675 YVEWMHCNQOCHFI-AWEZNQCLSA-N 289.806 4.951 30 10 CJEE CSc1cccc(OCC[C@@H]2CCCC23CC3)c1C#N 2281381136 NKDKVMBGTTYSCV-ZDUSSCGKSA-N 287.428 4.629 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1(C(C)C)CCC1 2284100648 IDSJFGMSKLGQPA-KRWDZBQOSA-N 275.480 4.787 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](CC=CC#CC(C)(C)C)NC)C1 2284109093 JUQQLMGTJKJFMM-FGTMMUONSA-N 275.480 4.787 30 10 CJEE C=CCCC(C)(C)NCCCN(CCCC)CCCC 2286801867 AYNQMHQOBBWLTL-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H](O)CCCCCCCCC 2287389219 BOHFQTORYHHXJN-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@@H]1CCSC[C@H](C)CC 2288874061 LWFXTLZKIZITKE-ZACQAIPSSA-N 296.524 4.608 30 10 CJEE CN(CC1CC(CC(C)(C)C)C1)C1(C#N)CCCCC1 2290117940 JRYUWBWPGXXGPA-UHFFFAOYSA-N 276.468 4.607 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2cccc(F)c2C#N)C1 2290267961 CSZZTCJFGLLVMB-OAHLLOKOSA-N 274.383 4.714 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCC[C@H]1CCC 2291485759 TZIIOLUYKHYHTI-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@](C)(CCC(C)C)OCCC(=O)O 2291751512 FFUWRFVIVDANBR-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=C(CC)C[C@H](OCCC(=O)O)c1csc(C2CC2)c1 2292120674 CITMUSKJRAQCPN-AWEZNQCLSA-N 294.416 4.514 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)c1ccc(Cl)cc1 2292799713 PRAGNEKUHNKWMC-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE C=C(C)CC[C@@H](OCCCN)c1ccc(C(C)(C)C)s1 2292883528 YDSYWKFLMQWOKW-CQSZACIVSA-N 295.492 4.808 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCCCCC12CC2 2293293796 HXLZYXUWWDADBO-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCCN)c1cccc(Cl)c1 2294231203 OYHIHELUMGIPFZ-YOEHRIQHSA-N 295.854 4.523 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ncccc1Cl 2294360375 FFVSMWGCBOGUPE-HNNXBMFYSA-N 298.858 4.502 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@]1(C)C[C@@H]1C 2295597568 WYXVRHIYHLQSGT-SZMVWBNQSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@H](CC(C)C)C(=O)O 2295676425 KPJLFVAFJCMPQQ-NVXWUHKLSA-N 285.472 4.591 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@]1(C)C[C@@H]1C 2295683266 ZJDXICCUGMJBNK-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc(Cl)ccc1Cl 2301036167 DJIRJVCGUXABPM-AWEZNQCLSA-N 271.187 4.795 30 10 CJEE C[C@H](CCS)CCOCCCC1=CCCCC1 2302282502 MKRHYMVCKPCYBW-AWEZNQCLSA-N 256.455 4.630 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1C[C@@]1(C)C(F)(F)F 2309038053 RHMZNJCODWBCCA-YNEHKIRRSA-N 266.347 4.686 30 10 CJEE CCCCCCCNC[C@H]1CC[C@@H]2C[C@H]1C2(C)C 2313081222 GZROSZZOBXFFLO-BZUAXINKSA-N 251.458 4.619 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Cl)c1C[C@H](N)CC 2313637039 AIDXOPBLBPZWKV-VXGBXAGGSA-N 283.868 4.677 30 10 CJEE C=CCC(CC=C)Sc1cc(CC)ccc1C#N 2313704882 OOMRKKARKQKOCA-UHFFFAOYSA-N 257.402 4.734 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](CC1CC1)C1CC1 2320800540 AIUMSZXNDMOBQF-DLBZAZTESA-N 251.458 4.761 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1(C(C)(F)F)CCC1 2321118918 WGAFLJKCIYDPIP-STQMWFEESA-N 259.384 4.522 30 10 CJEE C=CC[C@@H](C)[C@@H](O)CC1CC(C)(C)CC(C)(C)C1 2321227170 BQMRDZGHNFEYHL-HIFRSBDPSA-N 252.442 4.802 30 10 CJEE CCCCCCCC[C@H](O)CCCOC(C)(C)C 2321943093 JBKGIXGQOVJLRH-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE CCCC#CCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2327858580 QSIJYHNBLVNNKA-GFCCVEGCSA-N 284.230 4.756 30 10 CJEE C#CC[C@H](C)C[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2327978354 MYKAFEDLLIYVRX-BONVTDFDSA-N 284.230 4.525 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2333706469 OFGPXTPVWZWKSN-YJNKXOJESA-N 272.379 4.555 30 10 CJEE C=CCC(CC=C)Oc1cccc(Cl)c1[C@H](C)NC 2335108270 BLMNFCCTFOCJOM-LBPRGKRZSA-N 279.811 4.520 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCCC)CC[C@@H](CC)C1 2338737623 FVMISGWXFUYBEK-AEFFLSMTSA-N 263.469 4.951 30 10 CJEE CC(C)(C#N)CCCCNCCCC1=CCCCC1 2341088081 PHCBYXXKPGYGPJ-UHFFFAOYSA-N 262.441 4.577 30 10 CJEE CC(C)=CCC[C@@H](C)OCc1ccc(C)c(C#N)c1 2341728617 BEMUVMZGDAEUDG-OAHLLOKOSA-N 257.377 4.518 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCCOC)NCCC 2344345985 ZDQGRLLPIRTRGI-DLBZAZTESA-N 269.473 4.554 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2344374114 GFMXTDWHQAVGTD-RFQIPJPRSA-N 277.374 4.545 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCC12CC2 2352834023 BYNXZJHOMXDLAZ-MBNYWOFBSA-N 271.326 4.829 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1C[C@H]1C1CCOCC1 2357825309 MFCUENIYNJGWAS-BQFCYCMXSA-N 275.436 4.549 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2CC[C@H]2C(F)(F)F)CCC1 2358403919 BRPCFVOJDWMOFE-MGPQQGTHSA-N 289.385 4.690 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@@H]1C)NCC 2358948444 VSCINFCNFPOHJM-WNRNVDISSA-N 283.500 4.512 30 10 CJEE O=CCC(c1ccccc1)(c1ccccc1)c1ccccc1 34018684 AEWNPPOWVILLQJ-UHFFFAOYSA-N 286.374 4.610 30 10 CJEE CCc1nc(SC/C=C\c2ccccc2)c(C#N)cc1C 34829436 QLFNBCAYBDPQQN-YFHOEESVSA-N 294.423 4.630 30 10 CJEE CCN(C1CCCCC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35250508 CIOPFDLDZDVBMM-NUJGCVRESA-N 290.495 4.996 30 10 CJEE N#Cc1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1 36886942 WCDHGAWLMMQTGW-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1ccccc1[C@H](C)Nc1cc(Cl)ccc1C#N 36954440 ZCRSWKIITSZCIP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1cc(F)cc(F)c1 37333946 ICGDAWCHSLOARY-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl 51635994 NHLPQJRCWZKRPC-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C[C@H](c1ccccc1)[C@@H](C#N)c1c(F)cccc1Cl 57746286 HWAQYSUKHHFHOY-DGCLKSJQSA-N 273.738 4.890 30 10 CJEE CCc1ccc(/N=C/Nc2ccc(CC)cc2)cc1 59500546 JYBDDJCVMKKVKR-UHFFFAOYSA-N 252.361 4.583 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1ccc(C)c(C)c1 59526174 PQFHMLOANGXIMQ-INIZCTEOSA-N 276.420 4.862 30 10 CJEE N#CC[C@H]1CCCOc2ccc(-c3ccccc3)cc21 62661044 CXOUCNHXYHSAKY-OAHLLOKOSA-N 263.340 4.523 30 10 CJEE CCN[C@@](C)(C#N)C[C@@H](C)Sc1ccc(C(C)C)cc1 68624423 HAOLLIORRDKHFE-RHSMWYFYSA-N 290.476 4.572 30 10 CJEE N#CC1(c2ccccc2Br)CCCCCC1 71137534 LFCDVTOZVXQSOS-UHFFFAOYSA-N 278.193 4.565 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C#N)cc(F)c2C)CC1 86902275 PAFAFPMOLVQFJN-UKRRQHHQSA-N 274.383 4.777 30 10 CJEE CC(C)[C@H](CS)COc1cccc(Cl)c1Cl 87080222 LCORKQATDIKTOI-VIFPVBQESA-N 279.232 4.574 30 10 CJEE N#CC1(NCCCN=[N+]=[N-])CCCCCCCCCCC1 90258410 CALCIQKXKABJCK-UHFFFAOYSA-N 291.443 4.843 30 10 CJEE CCCCCCCCCCN(CC)[C@H]1CCCC[C@@H]1CN 91323712 HKOOHWJFWHEBKV-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CCC1CCC(C#N)([C@]2(O)C[C@H](C)CC(C)(C)C2)CC1 91875941 OYBWAHZFFPONJT-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE CCCC(CS)(CCC)CN1CCc2ccccc21 94578188 WLJZMGUBDUNPML-UHFFFAOYSA-N 277.477 4.566 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1C[C@@H](C)CC[C@H]1C#N 94848784 NGYLPXNDONXWKW-XYJFISCASA-N 276.468 4.605 30 10 CJEE CCC#CC[C@H](C)c1ccc(C)cc1Br 107497874 NROHJHUJQYBIJJ-LBPRGKRZSA-N 265.194 4.665 30 10 CJEE CCC#CCCc1ccc(OCCCCCC)cc1 107576935 FGVJPZDKUQZXMA-UHFFFAOYSA-N 258.405 4.992 30 10 CJEE CCCCCCCOC(=O)c1cc2cc(N)ccc2s1 109893909 KCGQMHAXDHWHSE-UHFFFAOYSA-N 291.416 4.611 30 10 CJEE CCCCCCCO[C@]1(CNCC)CCC[C@H](C)C1 110067899 BPCFOPMWGFAKTK-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCO[C@H]1Cc2ccccc2[C@@H]1NCC 110083795 RMUWESRJXYUMRT-OALUTQOASA-N 289.463 4.639 30 10 CJEE CCN(c1ccc(F)cc1)c1ccc(C#N)cc1Cl 110257802 HYMCMBINRPHIRK-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCCCCCCCCN1CC2(CCCC2)NC[C@@H]1C 115242528 RPHWUIBSYPPLJI-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(OC)cc1F 115856891 IXWZLCUSLHLMOE-KRWDZBQOSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@@H](CCc1cccc(C)c1)NN 122259604 VGNCBORENZHAEJ-IBGZPJMESA-N 290.495 4.900 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](CCC)OC 122563144 AJYUKKXBVMYCDH-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCCN1CCCC[C@H]1[C@@H]1CCCCC1=O 125132778 FRFTZCIHILLKBZ-IRXDYDNUSA-N 279.468 4.571 30 10 CJEE Cc1cc(Cl)c(Nc2ccc(C#N)cc2)cc1Cl 132205303 VCJLWHFLIZBQHN-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C#CCCC[C@H](CSc1cccc(Cl)c1)NCCC 134080948 WLUNZWCVIOLIMD-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C#N)cc2Cl)C1 149835946 SAOMACBCVTZEPM-GFCCVEGCSA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1C[C@@H]1c1ccccc1 158208080 IIVBMLYVYUSCEL-FGTMMUONSA-N 259.437 4.739 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H]1CSc2ccccc21 158955736 FZLIOZGAKHGOTK-MAUKXSAKSA-N 289.488 4.704 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cnc2ccsc2c1 163611447 ITQRDVYZDMNFDM-OAHLLOKOSA-N 274.433 4.693 30 10 CJEE CC1(C)CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164034082 OAKDPJXYDIHGJY-CQSZACIVSA-N 296.336 4.958 30 10 CJEE CC(C)COc1ccc([C@@H](C#N)C2CCCCC2)cc1 167859891 JBPMUUHUHJCSPY-SFHVURJKSA-N 271.404 4.909 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1cccc(Br)c1C#N 168558896 YQURVVXWQCQWEP-QWRGUYRKSA-N 295.224 4.557 30 10 CJEE C=C(CC)C[C@@H](Cc1cccc(Cl)c1F)NCCC 214045103 IBOKDYKGFRHEJS-AWEZNQCLSA-N 283.818 4.746 30 10 CJEE Cc1cc(O[C@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1C#N 227260644 IXDVOWYTOZQAAQ-BVGQSLNGSA-N 271.404 4.706 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@]1(OCC)CCC[C@@H](C)C1 227755071 IZDGIRPFJFQAMG-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@@H](NCC)c1cncc(OC(C)C)c1 229143858 CAJUWNARBIXGKB-GOSISDBHSA-N 292.467 4.880 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCC12CCCCC2 230171880 APPSSUUOTDFKSL-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C)c(F)c1F 231753959 HQESFWAKRICGMV-AWEZNQCLSA-N 284.394 4.528 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(Br)cc1 232514742 BWPMSCOAOHSVCT-UHFFFAOYSA-N 295.224 4.581 30 10 CJEE CCCCCCCCCCn1nc(C)c(Cl)c1N 232935303 QWQFFCHHVZQSJI-UHFFFAOYSA-N 271.836 4.568 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cc(OC)cs1 233164223 KNGJWHQZGFRKMA-OAHLLOKOSA-N 281.465 4.934 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)Cc1ccc(Cl)cc1 235785215 OFQBXXSTDYQZFI-KRWDZBQOSA-N 284.790 4.585 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 236214103 AKWPTJPQTOWFIR-CQSZACIVSA-N 287.234 4.634 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(Cl)ccc1F 236315662 UPQOUEKFQLSHDO-CQSZACIVSA-N 255.764 4.615 30 10 CJEE C=C=C(CC=C)N(Cc1ccccc1)C(=O)OC(C)(C)C 238133666 HFZXKTPVAZOPBV-UHFFFAOYSA-N 285.387 4.669 30 10 CJEE C[C@@H]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C[C@H]1C 251850758 OYVAGOVETOHFQT-JTNHKYCSSA-N 297.320 4.781 30 10 CJEE CCCCOc1ccc(N=Cc2cccs2)cc1 252639507 YKWZPEXMPOURHU-UHFFFAOYSA-N 259.374 4.678 30 10 CJEE CC(=NO)c1cc(-c2ccccc2)c(C(F)(F)F)s1 254483195 WXVLWGCRWFYBBD-UHFFFAOYSA-N 285.290 4.632 30 10 CJEE CC(C)(CC#N)c1ccc(F)c(-c2ccccc2)c1 260498070 GBSTWGBDVQANJB-UHFFFAOYSA-N 253.320 4.684 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cc(Cl)sc2Cl)O1 310437304 OTHMZUHRVCTCIM-NWDGAFQWSA-N 290.215 4.753 30 10 CJEE C=C(C)CC[C@@H](NCCC)C(C1CCC1)C1CCC1 311327606 BLFDTRKMFMXAKE-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2ccc(C(F)(F)F)cc2)C1 311366998 SDNWNZKUISZLNK-BXUZGUMPSA-N 267.294 4.677 30 10 CJEE CCC1CCC(C#N)(c2nccc3ccsc23)CC1 311906512 RMKOECATJWEAHQ-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE CC1(c2nc(-c3cccc(C#N)c3)cs2)CCCCC1 312948494 KGLWMIVNHVLSNP-UHFFFAOYSA-N 282.412 4.904 30 10 CJEE CCCCCCCC[C@H](CCC1CCOCC1)NCC 313457351 CMZUSWCTRRVBES-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2nc3ccccc3s2)C1 316906496 UXUSCJVFDKIGER-CXAGYDPISA-N 287.428 4.624 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317394081 YVCAFZSBMSTVBZ-IINYFYTJSA-N 271.187 4.541 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@@H](CCCC#N)c1ccccc1 340437979 XLTALTSICYXMIH-BQFCYCMXSA-N 270.420 4.612 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCC23CCCC3)C1 380456179 OGAHUPSZVHUXIH-IKGGRYGDSA-N 274.452 4.504 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccc([N+](=O)[O-])cc2Cl)C1 380595756 MKRNUVKPQAEJGN-XHDPSFHLSA-N 292.766 4.610 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(F)ccc1C 383458350 MTSKPJPBRFKCJI-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1CCCC(F)(F)C1 386916086 CWPNAOLEPYCRSL-LSDHHAIUSA-N 273.411 4.640 30 10 CJEE C=C(COCCC)C(=O)C1CCC(CCCC)CC1 387655785 LUVYFPJMHUNCMY-UHFFFAOYSA-N 266.425 4.535 30 10 CJEE CC(C)c1cccc(N=C2N[C@H](CC(C)(C)C)CS2)c1 393495383 VRIQBDZAXJBZOC-OAHLLOKOSA-N 290.476 4.939 30 10 CJEE CCCCCCCC[C@](C)(CNC)c1ccccc1 405625308 KSXIVYMKLUDMPI-GOSISDBHSA-N 261.453 4.914 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1C(C)(C)C 464566757 BSOSQFCSQZKHAE-ZDUSSCGKSA-N 259.393 4.525 30 10 CJEE COc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 575379503 FHCWZEUCZXHXJR-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C#CCCCCCC(=O)c1ccc(C)cc1Br 686691900 WUIIJHNLXKNEBZ-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1F 692202697 ASTFXIYGLAZWRL-MLGOLLRUSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 692227737 SARRTDJKEMXVGB-OYNZLANYSA-N 275.480 4.926 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(CC)(CC)CC 692271751 KBZHWTBTLRSLMO-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1ccns1 694603231 UTVWGSNTHYDCPE-HNNXBMFYSA-N 282.497 4.934 30 10 CJEE CCC(C)(C)[C@H](C)Nc1cc(Br)ccc1C#N 695110704 ZAMXBJDSIRGYBQ-JTQLQIEISA-N 295.224 4.557 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCC2(CC2)C1 695954540 JFCQHEYVKWJORF-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@H](C)[C@@H]3C)C[C@@H](C1)C2 697305574 ZHVVXCAMIJGWCA-PZFFHNKXSA-N 261.453 4.536 30 10 CJEE CCCCCCC[C@@H](N)CCCOC1CCCCC1 699798434 HXUVVXCFTVMEFV-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)C[C@H]1C 705347247 NNUSWDUDZBEDDL-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE C[C@@H]1CC=C(C(=O)c2c(F)ccc(F)c2Cl)CC1 707867922 VTSBNIGUHZYMBF-MRVPVSSYSA-N 270.706 4.547 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(C)c1C 709383977 XDCSPJXZODQGHA-FUHWJXTLSA-N 257.421 4.528 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C)[C@H]1CCCCO1 711990762 BHFQSCNNFJCKIZ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc2ccccc2c1)NCC 715829775 MGABEHNAACGUTQ-KXBFYZLASA-N 267.416 4.573 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H](C)CO1 718394706 KOWWEEVCIYKUDZ-GOEBONIOSA-N 254.414 4.511 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCC[C@@H]1C 719632922 IIWOGQPALWXBNS-JENIJYKNSA-N 285.431 4.949 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(C)cc(Cl)c2)CC1 724552756 PBLQQKUUVWQYSK-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@H](N)c2cc3cc(C)ccc3o2)CC1 724615218 CZFBDZLIXIQNEL-INIZCTEOSA-N 269.388 4.878 30 10 CJEE CCc1ccc(Sc2ccc(C#N)cc2)c(Cl)c1 725396477 ZRRUFBZCNNZIGU-UHFFFAOYSA-N 273.788 4.925 30 10 CJEE CC/C(=N\OCc1ccc(C#N)cc1)c1ccc(C)c(C)c1 821217696 HCDAIIQRVVISLF-XUTLUUPISA-N 292.382 4.506 30 10 CJEE CC/C(=N\OCc1ccccc1F)c1ccc(C)cc1C 821219173 HTVZJILBCOQSKS-CZIZESTLSA-N 285.362 4.773 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)c2ccccc21 821996103 DLTOWHBKHCOWML-VVWQDTPRSA-N 269.432 4.959 30 10 CJEE C=CCCN1CCCC[C@H]1c1ccc(C(C)C)cc1 1168902917 OJGOXKTZEDOLQP-SFHVURJKSA-N 257.421 4.913 30 10 CJEE C=CCCCCN[C@H](CC(F)(F)F)c1ccccc1C 1169811036 MNEHDKFNZURQOD-OAHLLOKOSA-N 285.353 4.934 30 10 CJEE C=CCCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 1191774334 TXNUFRNAQTYADY-UHFFFAOYSA-N 280.415 4.532 30 10 CJEE C=CCCCCCN1CC[C@@H](C(C)(C)C)C[C@H]1C 1194807480 SOMABDZPNFOZBU-HZPDHXFCSA-N 251.458 4.879 30 10 CJEE C=CCCC[C@H](NCc1cnc(F)cc1C)c1ccccc1 1203496917 LHGBRVXVISUSOM-SFHVURJKSA-N 298.405 4.716 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C(C)(C)C1(F)F 1206770675 LEHXCTWTZIFNIB-CHWSQXEVSA-N 261.400 4.616 30 10 CJEE C=CCC1(CNC(=O)N(CCCCC)C(C)C)CCCC1 1248675254 RGWVJBMWOSSJCY-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C[C@H](C)CCC=C(C)C 1266594338 GHPCYCUFPFWUND-HZPDHXFCSA-N 265.441 4.620 30 10 CJEE C=C(C)CCC(=O)OCc1c(Cl)ccc(F)c1Cl 1271722031 BOTUOEDIXCYAMC-UHFFFAOYSA-N 291.149 4.532 30 10 CJEE C=CCC[C@H](C(=O)O[C@@H]1CCC[C@@H](C)C1)c1ccccc1 1351263620 KRDXIERSTNSFEG-NXHRZFHOSA-N 286.415 4.858 30 10 CJEE C=CCC1(C(=O)NCC(C)(C)c2cccc(C)c2)CCCC1 1351808461 RGNYIFFXTUPHNF-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(F)c(C(F)F)c1 1360624387 HVQPMQXVEGFGOV-UHFFFAOYSA-N 299.336 4.582 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@H]2CCC(C)=C(C)C2)c1 1435024261 NKAKZVJXSORWJJ-MRXNPFEDSA-N 299.414 4.717 30 10 CJEE C=CC(C)(C)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1457499105 WMXGYTGOPWWGAY-STQMWFEESA-N 293.838 4.503 30 10 CJEE C=CCC[C@H](Nc1ncc(Cl)s1)c1ccccc1 1458266030 CVPRVDUCFFPIEX-LBPRGKRZSA-N 278.808 4.916 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc2c1ccn2C(F)F 1461493540 MPOGUJLQYHZIOH-NSHDSACASA-N 292.329 4.577 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)Cc1ccc(C)cc1 1462334099 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2163620629 PHBOILDNGKKCNT-WCQYABFASA-N 290.300 4.517 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1c(OC)ccc2ccccc12 2164257553 LQOMZBGMVTVEMR-OAHLLOKOSA-N 289.806 4.642 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc2c(c1)CCCC2 2164459715 GOMNNOYPPFXJHW-LJQANCHMSA-N 272.432 4.893 30 10 CJEE CCCC[C@](C)(C#N)Cc1cc(C)nc2ccccc12 2164482439 QHSZVIWCGUZLLG-SFHVURJKSA-N 266.388 4.806 30 10 CJEE CCCCCCCCC[C@@H](N)[C@]1(COC)CC=CCC1 2166485213 GQGODQSCEICQKZ-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(C(F)(F)F)c1F 2166839707 BPVYMCWWCKZYDG-LLVKDONJSA-N 289.316 4.679 30 10 CJEE CO[C@@H]1C[C@](C#N)(C[C@]2(C)CCCCC2(F)F)C1(C)C 2167968437 CJOQVPVHCXRJGH-VHDGCEQUSA-N 285.378 4.547 30 10 CJEE C=CC1(CN[C@H](C)c2cccc(C(F)(F)F)c2)CCC1 2168008234 VFUQMTZSYWAXMO-GFCCVEGCSA-N 283.337 4.712 30 10 CJEE C=CC1(C[C@@H]2Cc3ccccc3[C@@H]2NCCC)CCC1 2168032111 WSAUACQJIFZQLX-FUHWJXTLSA-N 269.432 4.646 30 10 CJEE CC(C)[C@@H]1[C@H](C)CC[C@@]1(O)[C@@]1(C#N)CCCC(C)(C)C1 2168553466 NYNYBPYJEFQFKC-LMSBXDPUSA-N 277.452 4.530 30 10 CJEE CC(C)[C@]1(C)CSC(=N[C@@H](C)[C@H]2CCCC(C)(C)C2)N1 2168621929 BUBFMACEDOAZLV-ZQIUZPCESA-N 296.524 4.698 30 10 CJEE C=C([C@@H](NCC)c1ccc(C(C)(C)C)nc1)C(C)(C)C 2170371835 FGRKIVCXQXMXLK-MRXNPFEDSA-N 274.452 4.632 30 10 CJEE C#C[C@H](NC1CCC(CC)(CC)CC1)c1ccccc1 2171532155 RGQPBGUMBNQBEQ-SFHVURJKSA-N 269.432 4.700 30 10 CJEE CCC1(CC)CCC(N=C2N[C@H](C3CC3)CCS2)CC1 2171536839 GECMZBAVQXVXKU-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE CC1(CN=C2NC3(CCCC3)CS2)CCCCCCC1 2172662172 RKFAVUWGMNVKJR-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 2173291430 YZYVUIDOGYLUKD-YGRLFVJLSA-N 289.316 4.707 30 10 CJEE N#C[C@@]1([C@@H]2CCOC3(CCCCC3)C2)CCCC12CC2 2173603489 WKFCHKIOTBSPMF-CRAIPNDOSA-N 273.420 4.590 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCc3ccccc32)CCCC12CC2 2173607680 DIUUEIHYXVLECY-LPHOPBHVSA-N 265.400 4.971 30 10 CJEE CCC(CC)(CC)[C@@H](O)[C@@]1(C#N)CCCCC12CCC2 2173616481 UNSIBFLBUCCQQH-QAPCUYQASA-N 277.452 4.818 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC23CC3)CC1 2173625422 JQTORIOUNIHZBN-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE N#CC1(C[C@@H]2CCC3(CCC3)CO2)CCC2(CC1)CC2 2176615922 VDRXBBPTJDKWFD-HNNXBMFYSA-N 273.420 4.590 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCC[C@@H]3C[C@H]23)NCC)CC1 2177501338 HZSICOKBDHRIMC-WJFTUGDTSA-N 275.480 4.927 30 10 CJEE CCCCCCCCC[C@H](NN)C1(C2CC2)CCCC1 2177725807 KIHGCVRYEJCKGG-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1CCc2ccccc2C1 2178379211 UTVGTTFIOCDBMA-VQIMIIECSA-N 272.432 4.967 30 10 CJEE CCCCCC1CC(O)([C@]2(C#N)CCCC(C)(C)C2)C1 2180063607 XAFDCRALIMXJHA-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)CC1 2181635167 CWQIFPSSANXKTC-ZBURPKILSA-N 272.432 4.620 30 10 CJEE C=CCOc1ccc(C(=O)C2=CCC(C)(C)CC2)cc1 2181667330 KYWJDRBXPNUUBD-UHFFFAOYSA-N 270.372 4.571 30 10 CJEE Cc1cc(Oc2cc(Cl)cc(C#N)c2)ncc1C(F)F 2186487778 AUUGPAZNJRUKKC-UHFFFAOYSA-N 294.688 4.645 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)C(C)(C)C1CCCCC1 2187480287 ITEGMRHZAQKIDX-KRWDZBQOSA-N 293.571 4.842 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@H](C)C(C)C)NCCC 2189306438 CJMXUORHFHDRFH-KSZLIROESA-N 285.516 4.758 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)Cc2ccsc2)C1 2189877945 GPLSPFOTGHDTHS-HYVNUMGLSA-N 290.476 4.679 30 10 CJEE CCCCCCCCCN1CCc2cccc(C#N)c21 2189924519 JZCYXOCORFUQNZ-UHFFFAOYSA-N 270.420 4.671 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@](C)(O)C1CC=CC1 2190852894 IWCGUBSLUTXSEB-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(C(C)(F)F)on1 2192897078 CCWMIJPYXXDQAB-LBPRGKRZSA-N 288.382 4.797 30 10 CJEE Cc1cc(Oc2cc(C)c(C#N)c(C)n2)c(C)cc1Cl 2193344292 BMGXSBKMGNKFSK-UHFFFAOYSA-N 286.762 4.633 30 10 CJEE C=C(CN(C)[C@@H]1CCC[C@H](CC)CC1)c1ccccc1 2195515539 PWZTZMZESFVWLH-PKOBYXMFSA-N 271.448 4.991 30 10 CJEE CCCCCCCCCCN(C)CC[C@@H]1OCC[C@@H]1C 2195678520 DRSYNUULUAUCRC-ROUUACIJSA-N 283.500 4.874 30 10 CJEE C=CCCCCCN(C)Cc1ccc(C(C)(C)C)nc1 2195871747 YLGFQDPSYPTUTB-UHFFFAOYSA-N 274.452 4.557 30 10 CJEE CCCCCCCCCCCCN1CC=C[C@@H](OC)C1 2195910285 AGPFKCGGVLCMCP-GOSISDBHSA-N 281.484 4.794 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H](C)c1ccccc1 2196171252 HLPIOZJSRSTYLR-IEBWSBKVSA-N 271.448 4.742 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCNc2ccccc21 2196735243 UNFFDEACQZIDAF-GOSISDBHSA-N 274.452 4.836 30 10 CJEE CCCCCCCCN(C)[C@@H](CN)C1CCCCCC1 2196736927 NKQMQRLQHNJEOS-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H](CC)c1ccccc1 2196849475 POAAZEXGPFIKNA-WDSOQIARSA-N 271.448 4.598 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@]1(C)CCCC1(F)F 2197154224 HURXQEXVXLMEFK-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE N#Cc1ccc(O[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 2201104447 IGOCWLIMZYMVAW-IJEWVQPXSA-N 289.806 4.949 30 10 CJEE CC[C@H](C)[C@H]1CSC(=NCC(C)(C)C2CCCCC2)N1 2201217562 KUXIGBIGYPAGOA-DZGCQCFKSA-N 296.524 4.700 30 10 CJEE CCCCCCCCC[C@@H](O)C1(N)CCC(C)(C)CC1 2202362936 CUSFACPNBKMIFU-MRXNPFEDSA-N 283.500 4.786 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@H](C)c1ccccc1 2203786627 GOQOMQAUQXDVSB-MJGOQNOKSA-N 271.448 4.742 30 10 CJEE CCCCCC#CC[C@H](NC)c1cc(C)c(F)c(C)c1 2203818829 ISUWWWMMTJYCSA-KRWDZBQOSA-N 275.411 4.677 30 10 CJEE N#Cc1ccc(NCc2ccc(-c3cccs3)s2)cc1 2205878542 FDDRBMRFEVRJOD-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cc(C)ncn1 2206534455 FLKZRKDRSIDKMX-MRXNPFEDSA-N 277.456 4.706 30 10 CJEE C=CCCCCCCN(C)Cc1snc2ccccc12 2206896093 AKCVCJQZNWUAEG-UHFFFAOYSA-N 288.460 4.865 30 10 CJEE C=CCCCCCC[C@H](NN)[C@]1(C)CC[C@@H](C)C1(C)C 2206898502 HRRGQCMZZPEZMT-RYRKJORJSA-N 280.500 4.807 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H](C)[C@@H](OC)C1 2207382707 VGAALJYNSCDPTH-MSOLQXFVSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CO[C@@](C)(CC)C1 2207386568 WFXKBNGRMJZFJG-ROUUACIJSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](CCN)C(C)C 2207393035 SWWNOTVXSMYZDU-QGZVFWFLSA-N 281.484 4.873 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1[C@H]2CCCC[C@H]21 2207432020 LIUXJISTVTVKLW-MHORFTMASA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ncoc1CC 2207434311 CMENEPUKJQWMPF-HNNXBMFYSA-N 279.424 4.967 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccc(O)cc1F 2207437582 OLKZOFZCVZUMDK-KRWDZBQOSA-N 279.399 4.838 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)C[C@@H]2CC[C@H](C1)O2 2207437664 PMRYVAPEUHAEKR-PIIMJCKOSA-N 280.452 4.756 30 10 CJEE C=CCCCCCC[C@@H](N)c1scc(C)c1C 2213637705 VCXDUMUHYOMQHY-CQSZACIVSA-N 251.439 4.891 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCS[C@H]1C 2214613649 POGBMZPZNZHGGP-LSDHHAIUSA-N 256.455 4.550 30 10 CJEE C=CCCCCCCC[C@]1(O)CC[C@H]2CCC[C@@H]21 2220078998 BAPMXBKJKNWSFN-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@@]1(O)CSCC(C)(C)C1 2220089258 PISWTKOYZXLFLI-INIZCTEOSA-N 270.482 4.797 30 10 CJEE C=CCCCCCCCN[C@H](C)Cc1cccs1 2220093123 PQNXBCYOXGDUBT-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE C=CCCCCCCCN(C)CCc1ccsc1 2220096266 DMKRCXRTQXHJEO-UHFFFAOYSA-N 265.466 4.749 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1C[C@@H]2CC[C@@H]2C1 2220096306 DUUJLIVOKRNHEG-YYIAUSFCSA-N 250.426 4.700 30 10 CJEE C=CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 2220269856 ZJZWLEGYPSGVQN-ZDUSSCGKSA-N 286.246 4.870 30 10 CJEE CCCCCCCCNc1ccc(OC)cc1F 2220310983 OODLXEKDOGSYHF-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CCCC[C@@H](C)Oc1cccc(SCC)c1C#N 2220720203 WCDUAYVKHCVRBY-GFCCVEGCSA-N 263.406 4.628 30 10 CJEE CCCC(CS)(CCC)COC[C@H]1C[C@H]2C[C@@H]1C2 2222320593 NULJMKPHRSNAFU-QLFBSQMISA-N 270.482 4.566 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)CC1(C)CCCCC1 2223562138 VLQPRCZJXQYRBR-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@](C)(O)C(C#N)(CC)CC 2223773501 APKZTOFJEXFIQZ-OAHLLOKOSA-N 253.430 4.818 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@@H]1C(F)F 2223854179 QYVRLILVEPKUAN-IHRRRGAJSA-N 261.400 4.616 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225291057 XFMRNZQOVUDZSL-LTIDMASMSA-N 260.421 4.908 30 10 CJEE C=CCCCCCCCCOCCNCCCCC 2225667974 RMCUDITYZGOVIB-UHFFFAOYSA-N 269.473 4.700 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cnccc1C 2227277150 WKSNFINKAAGKIU-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE Cc1sc([C@H](N)CC#CC2CCCCC2)c(C)c1C 2228568349 PJFLFEXKETZGGJ-MRXNPFEDSA-N 275.461 4.647 30 10 CJEE CCCCCCCCCOCC[C@@H]1CCC[C@@H]1NC 2230975785 DSOMIFUXSZDECJ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCO[C@H](C)[C@@H](C)CNCCC 2230993793 UJUATURUQVPXKU-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCOCC(C)(C)CNCC 2231016912 WKSLTUFVLIUGSC-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NCC)C(C)(C)CC 2231028922 VNNPTXUXLIULNR-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE C[C@H]1C[C@@](C#N)(CCC2CC(OC(C)(C)C)C2)CCS1 2232948962 LUEYDPDGKPZKCI-PBMMVSLJSA-N 295.492 4.786 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1(CC(F)(F)F)CCC1 2233783790 XEUJAPHKKAOZSY-ZDUSSCGKSA-N 289.385 4.527 30 10 CJEE N#C[C@H](CNCCCCCCC1CC1)C1CCCCC1 2234180727 AYTIJTYEFDZZFT-GOSISDBHSA-N 276.468 4.657 30 10 CJEE CCN[C@](C#N)(CC)CCCSCCCCCC1CC1 2235461530 DGOKZEHKLZKVEH-QGZVFWFLSA-N 296.524 4.752 30 10 CJEE C=CCCCCCCC[C@H](NCC)C12CCC(CC1)O2 2235521824 NGUBCVJVGVBLGA-ADKAHSJRSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)CC1CCCCC1 2235526396 KKSUOZHJNPUESS-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@]1(O)CC[C@@]2(CCCOC2)C1 2235534325 YRKJVUOYBKIFRN-ROUUACIJSA-N 280.452 4.615 30 10 CJEE C=CCCCCCCCN(C)CC1(OC)CCCCC1 2235535140 MRQVXTYXLPPEKH-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)[C@@H]1CCC1(C)C 2235538521 IZYBHYVGCDFLBM-QAPCUYQASA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CCOC2(CCC2)C1 2235788237 ZUSWIACCARAQMI-KRWDZBQOSA-N 279.468 4.547 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]2C[C@H]2C1=O 2237181856 MICXESLRFWGASB-IAGOWNOFSA-N 279.468 4.776 30 10 CJEE C=C[C@@H](CC)OC[C@H](NCCC)c1ccc(F)cc1Cl 2239491041 XEAPWPPKBPCWLK-BBRMVZONSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CC[C@@H](CC)C1 2239524379 ALJDRVZESACUSZ-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1nc(C(C)(C)C)cs1 2240173099 NYVWAZSIONQCHS-CXAGYDPISA-N 294.508 4.564 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CC[C@H](CCC)C1 2240557358 XFNQILBVQHUPFK-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CC1CC1)NCCC 2240653178 DDCMXARQUDDGGM-ROUUACIJSA-N 283.500 4.656 30 10 CJEE 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C=C1CC[C@H](C(C)(C)C)C[C@@H]1OCc1ccccc1 225243276 CWVMIRODRYMKEP-IRXDYDNUSA-N 258.405 4.974 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)C[C@@H](C)O 228105463 RJHVMDHRBMJSEE-DLBZAZTESA-N 271.489 4.656 30 10 CJEE C=CCCCCCC(=O)c1cc(C)c2ccccc2n1 235741085 KVKBQPXEIKZQOR-UHFFFAOYSA-N 267.372 4.862 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C)cc1Cl 235815451 WQGHGBHTQNEUJT-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl 236236044 QUQDMKGRFLQMEN-CQSZACIVSA-N 295.144 4.809 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@H]2[C@H](C)C#N)cc1OC 251066858 XGLNHUZVWCMGLM-KBMXLJTQSA-N 287.403 4.527 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C)[C@H]2C)C1 251317668 USXFILWMLZHTLL-YYWYGQEZSA-N 290.495 4.851 30 10 CJEE COc1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 254509274 BTZOBKPFUGNMGD-UHFFFAOYSA-N 280.154 4.753 30 10 CJEE Cc1cn(C(C)C)c2c(CC(C)(C)C#N)cccc12 260318405 NBBRJZZFYCFJQT-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCNC[C@@H]1C 311098581 BWXRJCRTOIYJBQ-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE CCCCC1CCC([C@H](N)CC#CC(C)(C)C)CC1 311337322 MBWFGSQGXJXKQN-OFLPRAFFSA-N 263.469 4.750 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H]2CCCCC[C@H]2O)CC1 312640194 ZQTYICHYBZLQHF-BNQMIIOLSA-N 277.452 4.674 30 10 CJEE O=CC1(Cc2ccccc2Cl)CCCCCCC1 317717038 KSNDWFFGSURKTF-UHFFFAOYSA-N 264.796 4.812 30 10 CJEE CCCCCCCCC[C@@H](CN)N1C[C@@H](C)CC1(C)C 380450431 WURYQUOGBQIPRP-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(CCCC)cc1 384992967 TZPUFTOANATZPY-HNNXBMFYSA-N 259.437 4.892 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@H](CC(C)(C)C)CS1 393498615 XISMVWQDDKRHFR-CHWSQXEVSA-N 284.513 4.698 30 10 CJEE Cc1cc(Cl)cc([C@H](C#N)Nc2ccc(Cl)cc2)c1 395221522 NXWXBGWWBFCBEP-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CC(C)c1cccc(NC[C@H](C#N)C2CCCCC2)c1 397228389 SQDXPIKVJPYGDH-KRWDZBQOSA-N 270.420 4.942 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@](C)(C(C)C)CS1 398520635 VVQMLZPAEZNVQD-INIZCTEOSA-N 284.513 4.700 30 10 CJEE CCCCCCCCC[C@@H](Cc1cnsn1)NCCC 399840546 FZHNGNHOEZYVPC-HNNXBMFYSA-N 297.512 4.590 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H]2CNC[C@@H]2C1 401065957 LKULCMRIZZNYJQ-ZACQAIPSSA-N 251.458 4.763 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC[C@@H]2CCOC2)CC1 401097262 WWEBZCORCMCIFM-KLHKWILBSA-N 280.452 4.615 30 10 CJEE CC[C@H](CC(=O)C1=CC[C@H](C)CC1)CC(F)(F)F 402316711 KSAFMVIUIBVOJV-WDEREUQCSA-N 262.315 4.671 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](C)CC(F)(F)F 402937333 MPPKZURDGKULQB-CHWSQXEVSA-N 267.379 4.914 30 10 CJEE C=CCC1(C(=O)N2[C@H]3CC[C@H]2c2ccccc23)CCCCC1 449918175 HNGBXVUIZAPCBG-ROUUACIJSA-N 295.426 4.931 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](CC(C)C)c1cccs1 464441220 SYSNZKYNKFJKFQ-UONOGXRCSA-N 279.449 4.554 30 10 CJEE C=CCN(Cc1cccs1)C[C@H](C)c1ccccc1 580058757 CJPIEXIXTJZXHK-HNNXBMFYSA-N 271.429 4.540 30 10 CJEE C#CCCCCCCC[C@H](NCC)c1ccccc1 686691372 KNZUOFFZMHKWQY-SFHVURJKSA-N 257.421 4.701 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1NCc1ccc(Cl)c(Cl)c1 689253963 CTKDFTJECKLGSV-SWLSCSKDSA-N 297.229 4.555 30 10 CJEE CCOc1cc(Nc2cc(Cl)ccc2C#N)ccc1C 690129268 YKVBMTFCZLHDMT-UHFFFAOYSA-N 286.762 4.662 30 10 CJEE CCCCCCCC[C@H]1CC[C@H](C(F)(F)F)NC1 694077509 NYBKXNNFMOIKSJ-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](C)[C@H]1CCCNC1 697447125 DBNVKVXCDRARRX-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE Cc1cc(N(C)[C@H]2CCCC(C)(C)CC2)ccc1C#N 697535306 KGVMDJRWAJHVRL-INIZCTEOSA-N 270.420 4.662 30 10 CJEE CC(C)C1CCC(C=O)(CCCOC2CCCC2)CC1 699958874 IEYMUPYTRSWMAJ-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCSc2c(F)cccc21 701891759 UAXITUVXOVBYIZ-AWEZNQCLSA-N 279.424 4.555 30 10 CJEE C[C@@H](CCS)CCN1CCC[C@@H](C2CCCCC2)C1 708236898 WNAHUGXPFSJGDF-NVXWUHKLSA-N 283.525 4.625 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCCC(C)(C)C1 709238361 ORUYMLAKZIBWNG-AWEZNQCLSA-N 276.811 4.617 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1C1CC1 710015553 JTNCGCAGSYSLLW-GDBMZVCRSA-N 274.795 4.592 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)C 710619470 VEMOBGRLWNMBCH-QLFBSQMISA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H](CC)c1ccccc1 710642321 AFKUQBUWEREOMY-JKSUJKDBSA-N 265.828 4.691 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)C 710642608 UFYFXRAGHVMSER-HRCADAONSA-N 271.876 4.816 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@H](NCC)C1 712809200 ZVDYHOVTNZPNTO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)[C@H](CSc1ccc(Cl)cc1)NCC 715799867 PWNNQXYYFLAWBE-WFASDCNBSA-N 283.868 4.622 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)Nc1ccccc1F 720351045 RTKNXZQEKMPWLC-QGZVFWFLSA-N 274.383 4.880 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@]2(C)CC2(C)C)CC1 724598832 BWVLMRYDXJSSMX-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=CCCC(C)(C)NC[C@H](C)CCc1ccccc1 1179232539 FNHMJZCWKVHXRU-MRXNPFEDSA-N 259.437 4.590 30 10 CJEE C=CC[C@H]1N(Cc2cscc2Cl)CCCC1(C)C 1181296879 FXVKRGNIMHSXAN-CQSZACIVSA-N 283.868 4.968 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1182357626 VJEJJZJJXFDCRL-JKSUJKDBSA-N 297.364 4.897 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@@H]2CCC(C)C)cc1 1184227779 FGMKPLCFSYWVQC-AEFFLSMTSA-N 255.405 4.685 30 10 CJEE C#CCCCCCCNCC[C@H](C)CC(C)(C)C 1205417858 MHECKGKPUYGJHE-INIZCTEOSA-N 251.458 4.622 30 10 CJEE C=CCCCCCCCCCN1CCC(C)(C#N)CC1 1207899560 GCBMKBZHBVHZQT-UHFFFAOYSA-N 276.468 4.919 30 10 CJEE N#CCc1cccc(-c2cccc(C(F)(F)F)c2)c1F 1239514784 FZNTYUISCKFYEO-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 1258717849 WHKPINGSSWGXON-GJZGRUSLSA-N 253.389 4.845 30 10 CJEE C=CC[C@H](OC(=O)CCC)c1ccc(Cl)c(Cl)c1 1270227689 CELWQVVKURPJPZ-ZDUSSCGKSA-N 287.186 4.954 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2CC)CCCCC1 1350231925 YOEBWVUYHGOWSE-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1ccc(Cl)s1 1357708284 WQPINDATJATLIR-VHSXEESVSA-N 272.797 4.608 30 10 CJEE C#CCCCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 1357915153 CIJDZFUVBVWYFY-UHFFFAOYSA-N 293.366 4.529 30 10 CJEE C#Cc1cccc(N(C(=O)C[C@@H]2CCCC[C@H]2C)C(C)C)c1 1358268021 RTHJXVQCULYCCH-AEFFLSMTSA-N 297.442 4.626 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CCCC1 1460031025 XTFUYHALHGYBBA-UHFFFAOYSA-N 299.414 4.600 30 10 CJEE C=C(CC)CN[C@@](C)(Cc1ccc(Cl)cc1)C(C)C 1460154953 XXLAXVBDLHCXIV-KRWDZBQOSA-N 279.855 4.853 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CCC[C@H](CC)C1 1461983198 QIAKVGGHWPQAIR-ICSRJNTNSA-N 285.475 4.934 30 10 CJEE C#C[C@@H](C)NCc1ccccc1Oc1cc(Cl)ccc1C 1462223601 WBNRRBAPBOZZAO-CQSZACIVSA-N 299.801 4.552 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(Cl)c2c(c1)OCCO2 1462680436 AYEYHLTWVOIZJA-LBPRGKRZSA-N 295.810 4.658 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C\c2ccccc2F)c1 1463259250 UCTLCHQNETVEQB-KHPPLWFESA-N 281.330 4.511 30 10 CJEE C=C1CC(C)(C(=O)N(C)CCC[C@H](CC)CCCC)C1 1470276288 QOPRPVJBEKOQQN-MRXNPFEDSA-N 279.468 4.798 30 10 CJEE C=CCCCCCN1CCC[C@@H]1CCc1ccccc1 1473112567 PRZCSUPCIAFLMK-LJQANCHMSA-N 271.448 4.830 30 10 CJEE CCCCCCCCCN(C)CC1C[C@@H]2[C@@H](C1)C2(F)F 1473121045 WXRAGETVJMITGD-HZPDHXFCSA-N 287.438 4.960 30 10 CJEE C=CCCCN1CCC[C@@H]1[C@H](CC)c1ccccc1 1473191743 CDUNCZYPDJNEBO-QZTJIDSGSA-N 257.421 4.611 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 1474515856 AGUCHLOPKDIHRM-CEXWTWQISA-N 299.458 4.700 30 10 CJEE C=CCCC(=O)N(c1cccc(CC)c1)[C@H]1C[C@H]2CC[C@H]1C2 1523018907 DCGDHUMQSQNVSJ-LNLFQRSKSA-N 297.442 4.737 30 10 CJEE CC[C@H](C(=O)Nc1cccc(C#N)c1C)C1CCC(C)CC1 1525480284 BZIINTOAOMDQEZ-PGEKIEPBSA-N 298.430 4.658 30 10 CJEE C=C[C@H](CC(=O)NCC(CC)(CC)CC)c1ccccc1 1525708932 BRWDRMQAUICCPF-MRXNPFEDSA-N 287.447 4.679 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1534845669 VWPLPGCCACWNQD-YESZJQIVSA-N 299.458 4.837 30 10 CJEE C=CCC1(C(=O)OCc2c(F)cccc2Cl)CCCC1 1535291056 NASHGYUNXFOUOV-UHFFFAOYSA-N 296.769 4.659 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H](C)C(CC)CC)CCCC1(C)C 1542579857 SFRZBGGPEWWWTJ-ZBFHGGJFSA-N 279.468 4.652 30 10 CJEE C=C(C)CN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 1559681592 LHSZDHQLQUJQCO-AWEZNQCLSA-N 271.326 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OCC)cc1C 1560530454 GABOQEMJGSELPD-VQIMIIECSA-N 287.447 4.618 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@]1(C)Cc1ccc(C)cc1 1587358444 KKCINIYCBXYCID-FQEVSTJZSA-N 299.458 4.521 30 10 CJEE CCN1/C(=N/c2ccccc2C)S[CH][C@@H]1c1ccccc1 1615006963 LFCZIPFHXLWGRU-JLMFCZBYSA-N 295.431 4.954 30 10 CJEE C=C[C@H](C(=O)Nc1ccc2occ(C)c2c1)c1ccccc1 1639030483 QFPJVUFFLHZZPS-INIZCTEOSA-N 291.350 4.650 30 10 CJEE C=CCCCCCN1CCCc2c(C)ccc(OC)c21 1642173942 DVKPSGOXQGRQFR-UHFFFAOYSA-N 273.420 4.503 30 10 CJEE C=CCCCOc1ccc(Cl)cc1C(F)(F)F 1651898879 YVRCEFPQLJUMLQ-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(SC(F)F)cc1 1655985743 WTBSJRLYJKYTSC-GFCCVEGCSA-N 285.403 4.836 30 10 CJEE C=CCN(CCc1ccccc1)CCc1cccc(Cl)c1 1658558588 YUMFQWGXYRCMJA-UHFFFAOYSA-N 299.845 4.613 30 10 CJEE C=CC[C@H](C)N1CC2(CCCCC2)[C@H]1c1ccccc1 1658924334 NRVDEYFLOLWEMD-FUHWJXTLSA-N 269.432 4.958 30 10 CJEE C#C[C@H](N[C@@H]1CCCC[C@@H]1c1ccccc1Cl)C(C)C 1659149906 QMCVUZSGFZCGEK-BPQIPLTHSA-N 289.850 4.614 30 10 CJEE C#Cc1ccc(N[C@@H](C)Cc2ccc(F)cc2Cl)cc1 1660184020 ZFAPGXLBRWMXFN-LBPRGKRZSA-N 287.765 4.504 30 10 CJEE C=CCCC1(CNC[C@@H](C)c2ccccc2)CCCC1 1660263374 JTDQPSAYUOEAFX-QGZVFWFLSA-N 271.448 4.906 30 10 CJEE 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272.369 4.874 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(C)C[C@H]1C 2220093726 RTXZURZJHNYCSS-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1sc(C)c(C)c1C 2221247654 XBCNIFYGAJPVJR-XHDPSFHLSA-N 265.466 4.926 30 10 CJEE CCCCCCCCCOC[C@@H](N)C[C@@H](C)CC 2223188527 NTQLFXIPOCRLBZ-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE CCCC#C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2225437509 WOEVIIFSLUMMOE-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC(F)(F)C2CC2)CC1 2225543389 CCLGGSBPYBWMFC-UHFFFAOYSA-N 272.379 4.843 30 10 CJEE N#CC1(c2cc(Cl)c([N+](=O)[O-])cc2Cl)CCCCC1 2226071298 BMAIGDMBKGNKHR-UHFFFAOYSA-N 299.157 4.627 30 10 CJEE C#C[C@H](CC(C)C)NC1CCC2(CCCCC2)CC1 2226323032 UKRAIYRUSOXHEM-MRXNPFEDSA-N 261.453 4.517 30 10 CJEE C=CCCCCCCCN[C@H]1CCc2ccccc21 2227268221 NSRFZUNNCJGQHJ-SFHVURJKSA-N 257.421 4.790 30 10 CJEE C=CCCCCCCC[C@@]1(C=O)CCCOC1(C)C 2227268628 RKJPLMMMGJYDPW-KRWDZBQOSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1C(F)(F)C12CCC2 2227285240 UBRGYQVZELRRHV-AWEZNQCLSA-N 270.363 4.908 30 10 CJEE CSc1ccc(Oc2ccc(C#N)cc2C)cc1C 2227721431 LKRLHKNAWVHFAB-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE CCCCCCCCCN[C@H]1CCC12CC(F)(F)C2 2230736720 NHGLGXCAFLRHQZ-AWEZNQCLSA-N 273.411 4.905 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)[C@@H](C)CN[C@@H](C)CC 2231018008 RWHMPWCIQYDFBO-MWDXBVQZSA-N 269.473 4.551 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](C)CCCN[C@H](C)CC 2231024431 HODWETSZJWYATB-IXDOHACOSA-N 269.473 4.695 30 10 CJEE CCCCCCCCCCCOCCCCCNC 2231084069 DISMNWWTPUNJEL-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCC(=O)C#Cc1ccc(CCC)cc1 2231226835 WNZOTWFIIKISLM-UHFFFAOYSA-N 256.389 4.530 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1cc(F)ccc1Cl 2231484801 WLAAHUDLBUZRBD-CHWSQXEVSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](CCC(C)(C)C(F)(F)F)CNC1CCC1 2231495694 FEZWBLYBWQITOZ-GFCCVEGCSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCCOCC1 2231936150 ZTXDHSJFQBNBTP-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C[C@@](O)(CCCCCCC1CC1)c1cccc(C#N)c1 2234150323 DRDZJQYXOFGRRP-GOSISDBHSA-N 271.404 4.516 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](C)c1cccc2ccccc12 2234692082 SITFHPFQOMIKSM-DOTOQJQBSA-N 265.400 4.538 30 10 CJEE C=CCCCCCCCC(=O)C1(O)CC2(CCCC2)C1 2235525548 BONJFUADOWHTHR-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccnn1C(C)(C)C 2235526106 HTLIDBPVKVQYIS-OAHLLOKOSA-N 277.456 4.555 30 10 CJEE C=CCCCCCCC[C@@H](N)C(C)(C)c1ccncc1 2235533729 VPJAPEAUINGEIR-QGZVFWFLSA-N 274.452 4.603 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(O)c1csc(C)c1 2235541048 DEEMRKQPAVLEKO-SJORKVTESA-N 295.492 4.508 30 10 CJEE CC1(OCCCCCCCC2CC2)CCC(=NO)CC1 2239393293 DJJWRUNNGBPCLH-UHFFFAOYSA-N 281.440 4.917 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2ccccc12 2239495495 PSEAKZGTCLAGBT-GFCCVEGCSA-N 290.794 4.797 30 10 CJEE CCCCCCCCCCOc1ncc(C)cc1C=O 2239496848 CAKZUUKXVXSSTO-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCC(C)(C)[C@H](NCC)C1 2239497281 AJVMXQXRGXYNSA-IXDOHACOSA-N 281.484 4.695 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCC[C@@H]1CCC 2239503859 MQIKGFKYUATZPU-UXLLHSPISA-N 282.424 4.562 30 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4.563 30 10 CJEE C=C(Cl)C[C@](C)(OCCCN)c1ccc(C(C)C)cc1 2292903766 SOGJEAFKZVPZNK-KRWDZBQOSA-N 295.854 4.533 30 10 CJEE C=CCCC[C@@](C)(OCCCN)[C@@H]1CCCC(C)(C)C1 2293573241 QDNQGPGTXSAUCM-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C1[C@@H](C)[C@@H]1C 2294134793 DQXIYYYJPZXHJM-ULQDDVLXSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1CC(C2CC2)C1 2294419461 KYLMOHKFIJARMT-DAWZGUTISA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C=CC[C@@H](C)C1 2294452009 GFNLYTWLOMJWKC-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C1CC(CC(=O)[C@@](C)(O)CCCCCCCCC)C1 2295597209 SDJHYDYRLDXEIT-SFHVURJKSA-N 280.452 4.804 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CC1=CCCC1 2295676994 QUMFLPNTYHVVCI-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE C=CC[C@H](C)Sc1sccc1CN[C@H](C)CC 2298929644 AVTCADBEMAPXQO-NEPJUHHUSA-N 269.479 4.693 30 10 CJEE CCc1cscc1Nc1ccc(C#N)c(Cl)c1 2302874293 UYDAZFXAPVIPHS-UHFFFAOYSA-N 262.765 4.579 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H]1CC[C@@H]2C[C@@H]2C1 2312620939 IJWOYNCRHRLZOW-NCOADZHNSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC[C@@H]2C[C@H]12 2313501583 ZCKSRJKBHPYYGH-NCOADZHNSA-N 251.458 4.904 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1C[C@@H](SC)C1 2314259897 XIBOKBOPQWGMIG-OWCLPIDISA-N 271.514 4.857 30 10 CJEE CCCCCCSc1cc(C(C)(C)C#N)ccn1 2316407029 ORDKSXRJVSVNST-UHFFFAOYSA-N 262.422 4.555 30 10 CJEE C=CC1(CC(=O)c2ccc(C)cc2SC)CCC1 2319605762 LFEBUKWJEYXXDJ-UHFFFAOYSA-N 260.402 4.646 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)cc(Cl)c1 2321118960 WRXAQQZTZOCCLT-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc2ccccc2s1 2321138097 OXYMSLYJCVOUKG-JKSUJKDBSA-N 259.418 4.894 30 10 CJEE COc1ccccc1C=CC(=O)c1cccc2ccccc12 2322720610 KUOYIGHBBYZUGT-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=C(C)COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1 2323896525 QDFQITUBAIUCON-UHFFFAOYSA-N 292.378 4.846 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2332723283 RJAZXKNZQJPHDN-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)SC[C@H]1CCC2(CCCC2)CN1 2335099024 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2343204891 PKIJISVLOAPZPL-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE CC1=C(C)C[C@H](Nc2cc(Cl)c(C#N)cc2F)CC1 2343426552 SCDOBJLZIBMHER-GFCCVEGCSA-N 278.758 4.652 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc2c(c1)CCC2 2352112008 BJSVAWBJMSRGBY-KRWDZBQOSA-N 278.461 4.536 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(SC)c2)[C@H]1C 2353834133 LDHRCHDLPJLAJG-YWPYICTPSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2OC 2354395621 ZWCUUAOKXWVCLO-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)Sc1ccc(OC)cc1CNC(C)(C)C 2360377963 LKFICSZMSWIYPW-ZDUSSCGKSA-N 293.476 4.640 30 10 CJEE C[C@H](Nc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 19905197 QJVNFGPRRHAEOE-NSHDSACASA-N 290.288 4.750 30 10 CJEE CC[C@@H](Nc1cccc(C#N)c1)c1ccc(Cl)cc1 20016819 RFYZDFBERXLHSE-MRXNPFEDSA-N 270.763 4.775 30 10 CJEE CCCOc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 21517299 XSIYJBCFRBGPSM-CQSZACIVSA-N 280.371 4.520 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1ccc(O)cc1 37766266 UHWZPJOWBOVHEM-ZDUSSCGKSA-N 285.412 4.843 30 10 CJEE COc1ccc(N[C@]2(C#N)CCCC[C@H]2C(C)(C)C)cc1 37936485 BUCADMHGOVRZTN-WMZOPIPTSA-N 286.419 4.606 30 10 CJEE C=CCC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 38957749 YFAXKDMOOBOOJW-GOSISDBHSA-N 295.382 4.620 30 10 CJEE Cc1cc(C)cc([C@H](C#N)Nc2cccc(Cl)c2)c1 43394606 ZSTZMMRNHGSNKS-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CCCCCCCCO[C@@H]1CCCc2ccccc2[C@H]1N 59083759 SGBAYDGRXRJYBU-RTBURBONSA-N 289.463 4.768 30 10 CJEE CCCCCCC[C@H](C)NCCc1ccc(OC)cc1 59089783 JBQDLSRBRSHLPO-INIZCTEOSA-N 277.452 4.576 30 10 CJEE CCCCCCCNc1cccc(-n2cccc2)c1 59469059 YWRSGMKNSVWKTQ-UHFFFAOYSA-N 256.393 4.860 30 10 CJEE N#C[C@H](C(=O)CC1CCCCC1)c1ccc(F)cc1Cl 62610359 PYRKFCNBZHCZIR-AWEZNQCLSA-N 293.769 4.626 30 10 CJEE C=CCc1cc(C=O)cc(OCC)c1OCCCCCC 66117961 MJVCQHSVDMMCKQ-UHFFFAOYSA-N 290.403 4.585 30 10 CJEE N#Cc1cc2ccccc2nc1Sc1ccc(Cl)cc1 71390654 LSIQZHCBMZBYND-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCc1oc(-c2ccc(OC(C)C)cc2)cc1CC#N 77081528 ZEYBBVBZAXSAFK-UHFFFAOYSA-N 283.371 4.752 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CC2CC2)C2CC2)C1 80369182 POWAONCYGHKXHZ-LZLYRXPVSA-N 288.479 4.605 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86882400 XBSWJEQKFBIKPO-YPMHNXCESA-N 262.784 4.592 30 10 CJEE CC1(C)CCC(C#N)([C@@]2(O)CCCC(C)(C)CC2)CC1 91903356 OKTVDFVGWMHCHC-GOSISDBHSA-N 277.452 4.818 30 10 CJEE CCN(C[C@H](CS)c1ccccc1)c1cccc(C)c1 94579312 ZKSUSQDKVWOTQB-QGZVFWFLSA-N 285.456 4.535 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981718 ZWQAJDKMVQMLLK-LRDDRELGSA-N 276.449 4.703 30 10 CJEE CCCC1CCC(C#N)(Cc2nc(C)c(C)s2)CC1 94981744 BIPYQFJFHYOTFA-UHFFFAOYSA-N 276.449 4.803 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2C)C1 97856950 DRGZGFIOTHLHDT-PBHICJAKSA-N 259.368 4.787 30 10 CJEE CCCCCCCCOc1cccc(/C(C)=N\O)c1 104693484 BMSAWQWSLQJLJK-VKAVYKQESA-N 263.381 4.624 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCCC)c(OCCC)c1 107569898 SZFOFMPIXTXBFK-INIZCTEOSA-N 288.431 4.856 30 10 CJEE C[C@H](C[C@H]1O[C@@H]1C)c1ccc(OCc2ccccc2)cc1 107579429 GUUZFAXUNKZQBE-SPYBWZPUSA-N 282.383 4.547 30 10 CJEE CCCCCCCC[C@H](Cc1ccccc1)NCC 109721411 APFVXMCJTHGURM-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 109947644 ORABNLCWVHKIPL-INIZCTEOSA-N 288.753 4.914 30 10 CJEE CCCCCCCOc1ccc(Cl)c(CNCCC)n1 110156942 QGXQXZIUPMIPHX-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE CCc1cccc(Oc2ccc(C#N)cc2Cl)c1 110261399 FZEPAVNPZKFZAU-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)CCC(C)C)C1 110263829 IBZFBIDPSYNMOA-GVDBMIGSSA-N 278.484 4.709 30 10 CJEE CCCCCCCCO[C@H](CN)c1ccc(Cl)cc1 112964858 XKTOLNQKRDSAPS-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NCC)C12CCCCC2 117340061 JGDYXPSJIFLQGY-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H](OC)C1 124848751 PRLUXXKKGJPDBG-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1cc(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1C#N 126901999 IXDVOWYTOZQAAQ-FSPWUOQZSA-N 271.404 4.706 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1cc2c(s1)CCCC2 129458196 JTBALSHDZUTHHM-ZDUSSCGKSA-N 296.439 4.980 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CC(C)(C)OC1(C)C 133252560 XOYWCJDTLZWPGC-CABCVRRESA-N 269.473 4.529 30 10 CJEE CCCCCCCCOc1cccc(SC)c1CN 136561821 YOAXAOBPEFEQJW-UHFFFAOYSA-N 281.465 4.607 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(N)cc1C 165353919 YUJBEPAJZLFFKO-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE CC(C)CC(C#N)(CC(C)C)Nc1cccc(F)c1 165899350 CASVHPJFZZZFTN-UHFFFAOYSA-N 262.372 4.592 30 10 CJEE C=C(C)CN[C@@H](CC)c1ccc(Cl)cc1Cl 167474247 VXLIWYCZXMQWLH-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](CC)[C@H]2C)c1C#N 167601151 ZEOSTYZUOZORSL-VNHYZAJKSA-N 288.460 4.907 30 10 CJEE CCCCCCCCCCCOCCNCCC 168774608 JSNMDCDWQKAJCN-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(N(C)C)CCC[C@@H](C)C1 217489276 OQHCJBNRVVOUPV-CEXWTWQISA-N 297.527 4.999 30 10 CJEE CCCCCCCCC[C@H](Cc1ccco1)NCC 229196716 ISHMGYXUXALUPV-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE CCCCCCCCCCC[C@@H](COCC)NC 229791697 GDFDFPTZCQNMEM-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](N)c1cc(F)c(F)cc1Cl 231295176 ZRXAJGAORKQNOK-AWEZNQCLSA-N 275.770 4.979 30 10 CJEE CCCCCCCCC[C@H](NC)c1cnc(C)s1 232994634 CDMIKHGFZNGPSV-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE C=CCCCCC[C@@H](NCC)C1C(C)(C)C1(C)C 233600747 OMIHQMFOFSMSNP-CQSZACIVSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Br)c(C)c1 235758265 DFTJUBUQYIHPMV-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE C=CCCCCC[C@@H](O)CSc1ccc(C)cc1 235793864 AMGQAHQCQLVXFS-OAHLLOKOSA-N 264.434 4.585 30 10 CJEE Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1Cl)CC2 236014515 AORSMUJQHRAEHZ-MRXNPFEDSA-N 282.774 4.620 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 249781694 FYBYKPACGXOBAJ-YESZJQIVSA-N 264.457 4.605 30 10 CJEE CC1CCC(N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 251945711 WJBOKGRWBCUVCL-USFGWYQBSA-N 290.495 4.851 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC[C@H]2C)C1 252436155 NLZPKHTZVAGBJO-VQHPVUNQSA-N 276.468 4.605 30 10 CJEE CCCCCN(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252436592 PXWQVOZIAZSATL-GBESFXJTSA-N 284.447 4.584 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@@H]2C[C@@H]2C1 253053652 XIOBNPXRQMIDNW-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CCC1CCC(C#N)(c2snc3ccccc23)CC1 311377780 WMWAWILQSUGOEP-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE CCCCCCC[C@H]1N([Si](C)(C)C)C(=O)[C@@]1(C)CC 311457340 USYMHINTVQNCNI-ZBFHGGJFSA-N 283.532 4.809 30 10 CJEE C=CCS[C@@H](C)[C@@H](NCCC)c1ccc(CC)cc1 311480488 TXHDQNLPTDMJMH-WMLDXEAASA-N 277.477 4.597 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc(OC(F)(F)F)c1 312439625 WSHXIBJUEYSJLM-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE Cc1ccc(N[C@H]2CCCCC23CCCC3)c(C#N)c1 312537403 KQRAQXJOBAHIED-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(C)cc2Cl)C1 316783630 WAJHGDCFEMQMQE-BBRMVZONSA-N 264.796 4.586 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC/C=C/c1ccccc1 317190490 KEUHRKSLOQQVJP-ZZFAAYMESA-N 256.389 4.875 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 318783399 SWVAVZCXKJDMLY-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@@H]1[C@@H]2C[C@H]3[C@H](CN[C@@H]31)C2 381256008 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C=CCCC[C@H](C)N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 398084025 TWEJXWGABJIAPM-ILXRZTDVSA-N 273.420 4.583 30 10 CJEE C=CCCCCCN[C@H](CC(C)C)c1ccccn1 558995559 NCNPZKXPIUCGAK-QGZVFWFLSA-N 260.425 4.505 30 10 CJEE CCC(C)(C)[C@H](C)/N=C1/NC2(CCCCC2)CCS1 687320888 BHWFQAHCGAKFFF-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@]1(C)CCOC1 687388167 MBYYFRQGMRHWJR-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CO[C@H]1CCC[C@@H](C2(C=O)CC(C)(C)CC(C)(C)C2)C1 688279030 DUFDAHMQZJWKDF-CABCVRRESA-N 280.452 4.613 30 10 CJEE Cc1cc(Nc2cccc(F)c2C#N)cc(C)c1Cl 690236291 XGYDZJQVBCQCMH-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(Cl)cccc1OC 692242706 ZFARYNOUGXBZRL-BBRMVZONSA-N 293.838 4.573 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)oc1C 692274702 DSQCEOKQHFDRIZ-YSVLISHTSA-N 261.409 4.682 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1ccc(Br)cc1C#N 695157585 VBRXEDNLPPQISX-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE C=C1C[C@H]2CC(NC3C[C@H](C)C[C@@H](C)C3)C[C@@H](C1)C2 697295911 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C=CCN(CCC)c1ccc(CNC(C)(C)C)c(Cl)c1 723169141 STXCCQMBWOAYBC-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCC1(CC)CS/C(=N/[C@H](C2CCCCC2)C2CC2)N1 723840451 OOIJHJCRMSPCGU-OAHLLOKOSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCn1cc(C)c(C(=O)O)c1 724649277 YBMIGIBKRLTOLP-UHFFFAOYSA-N 265.397 4.635 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1ccccc1 1127384180 OJYQYDONOJSHIV-SZMVWBNQSA-N 285.431 4.636 30 10 CJEE C=CCCCCCN(C)c1ccc(F)c(Cl)c1 1168700661 OQWDEADIFFJLRS-UHFFFAOYSA-N 255.764 4.662 30 10 CJEE C=CCCCCCN1CCC(c2ccc(F)cc2)CC1 1175436147 HKYBMCBXGUBXMO-UHFFFAOYSA-N 275.411 4.752 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCC[C@H](OCC)C1 1181162290 GROQHTKLMWGFAS-IRXDYDNUSA-N 273.420 4.565 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C(C)C)ccc1O 1182843745 HDSSMEDJNRIRRX-MAUKXSAKSA-N 287.447 4.740 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(-c2ccccc2OC)cc1 1192709836 NSDZSNKPGRGFEX-MRXNPFEDSA-N 295.426 4.979 30 10 CJEE C=CCC1(CN[C@@H]2CC(C)(C)CC[C@H]2C)CCCC1 1205788686 FMULPDWBFZUCJG-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc2occ(C)c2c1 1216763660 IGEJJTAAHNFKTA-UHFFFAOYSA-N 286.375 4.561 30 10 CJEE C#CCCCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 1264891634 KPQHQGWEVFMZLL-IBGZPJMESA-N 297.442 4.618 30 10 CJEE C=C(C)CCN[C@H](c1oc2ccccc2c1C)C(C)C 1307636232 YQJRVOQMHGWZDB-KRWDZBQOSA-N 271.404 4.994 30 10 CJEE C=CCC1(NCc2nc3cc(C)ccc3s2)CCCC1 1307934279 UHLMRTIBPAOTPQ-UHFFFAOYSA-N 286.444 4.583 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C2CC2)cc1 1310487590 KJJATZVCEGBXQN-FUHWJXTLSA-N 298.430 4.820 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@]1(C)CCC[C@@H]1CC 1435133202 FBTKCDDVCNXQNX-PKOBYXMFSA-N 291.479 4.798 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccccc2Cl)CCCC1(C)C 1459681771 NXJUIABTTSEGJP-OAHLLOKOSA-N 291.822 4.547 30 10 CJEE C=CCOc1ccc(CN(CCC(=C)C)C(C)(C)C)cc1 1459749958 XJVFXWWQBSAYLC-UHFFFAOYSA-N 287.447 4.818 30 10 CJEE C=C(C)CCNCc1ccc(Oc2ccc(OC)cc2)cc1 1461510931 ACISMXMSUROVBL-UHFFFAOYSA-N 297.398 4.543 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H](CC)c2ccc(C)c(F)c2)C1 1462002704 SQGQSOYCXAWFHI-LESCRADOSA-N 275.411 4.920 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(C)ccc1Cl 1465897558 NQHLTSIAFDZKPR-GFCCVEGCSA-N 280.799 4.515 30 10 CJEE C=CCCC(C)(C)NC(=O)N[C@H]1CCCC12CCCCC2 1470791881 CFECHFPKRHOWFX-HNNXBMFYSA-N 292.467 4.533 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 1474526191 LTCGLKFNMOKRQQ-FZMZJTMJSA-N 297.364 4.816 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC1CCC(c2ccccc2)CC1 1521251777 UXVFOCJENKAUAA-UHFFFAOYSA-N 299.458 4.679 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](CC)CCCC)CCCC1 1532340890 UTWPIGUOPMVNSR-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccccc1)c1ccccc1 1537027062 QDCJAULAPWXAGL-GOSISDBHSA-N 279.383 4.514 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc3ncccc23)c1 1537409767 IYYTUWHWDNYMGD-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CCC1(C(=O)N[C@H](C)[C@H](C)c2ccccc2)CCCCC1 1539827173 XHLSFEJJBJYRLR-DLBZAZTESA-N 299.458 4.821 30 10 CJEE CCCCCCCN(C)[C@@H]1CCCc2nc(C)sc21 1559622564 NWOJONFHSLUMRO-OAHLLOKOSA-N 280.481 4.731 30 10 CJEE C=CCOc1cccc(CNc2cccc(SC)c2C)c1 1560419300 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CCCCCCCCC(=O)CC12CCC(CC1)OC2 1878169675 FOIBBTGZVUJZFB-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE C#CC(C)(C)CN[C@@H](CCCCC)c1ccccc1 1878660244 CMOVZKXXQHWSQN-KRWDZBQOSA-N 257.421 4.557 30 10 CJEE CCCCC[C@H](CC)N(C)C[C@](C=O)(CC)C(C)C 1879156242 DOWNICYJCYRKIA-IRXDYDNUSA-N 269.473 4.528 30 10 CJEE CCCCCCCCN(C)C[C@@H]1CC12CC(F)(F)C2 1883319066 FTGHGBCHFVMCQJ-AWEZNQCLSA-N 273.411 4.714 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)CCOCc2ccccc2)CC1 1885638116 BUBUMCKFMJBFBX-KRWDZBQOSA-N 286.415 4.545 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C(CC)(CC)CC 1888701340 NGNYUOMCWYXZKJ-KRWDZBQOSA-N 259.437 4.894 30 10 CJEE CC#CCCCN(Cc1ccccc1)CC1CCCCC1 1891071808 KPZHXKLBPQGWFZ-UHFFFAOYSA-N 283.459 4.872 30 10 CJEE C=CCCC[C@H](O)c1cc(F)c(Cl)cc1Cl 1904348572 RAAYPTVXUHSLBK-LBPRGKRZSA-N 263.139 4.522 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C)c(C#N)c2)CC1 1909637024 QCYXPCHQMOSXLE-ZBFHGGJFSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC2(CCCC2)CN1 1912752667 CFQMEYBOQQUIRQ-INIZCTEOSA-N 279.468 4.619 30 10 CJEE 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251.458 4.905 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)[C@@H]1CCCSC1 2029403473 JNIWQQCVHVLFGL-ARFHVFGLSA-N 271.514 4.857 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@H]2CNC[C@H]12 2032045636 SYROSERNMAKVSZ-IXDOHACOSA-N 251.458 4.763 30 10 CJEE C=C([C@H](NCC)c1ccc(SC)cc1)C(C)(C)C 2035429568 WKIUNSFIALUYIJ-HNNXBMFYSA-N 263.450 4.661 30 10 CJEE C=C(C)CC[C@H](N)c1cccc(SC(F)(F)F)c1 2037107812 KPOUXCAGXRKLQQ-LBPRGKRZSA-N 275.339 4.655 30 10 CJEE CC1(C)CC[C@@H]([C@@H](C#N)c2ccc(F)cc2Cl)C1 2037681439 GFEQOKOQARDVHJ-ZWNOBZJWSA-N 265.759 4.913 30 10 CJEE Cc1cccc(S[C@@H](C#N)[C@@H]2CCC(C)(C)C2)c1 2037681889 JAMXGWBUGJWVBC-HIFRSBDPSA-N 259.418 4.806 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1cccc(Cl)c1 2040527738 YJZBJQYXALQUNX-BBRMVZONSA-N 265.828 4.983 30 10 CJEE C=CCC[C@@H](C)[C@@H](CC1CCCCCC1)NCC 2040528598 FAXSHQIQNFMPEJ-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(C)c(Cl)c1 2040850238 IRSZKZIMPMRACV-GDBMZVCRSA-N 263.812 4.655 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@@]1(C)C(F)(F)F 2043556192 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CC#CCC[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2107770015 FALPFCJPYPTPKP-CQSZACIVSA-N 289.831 4.872 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(F)c(F)cc1F 2107952323 NVHGIYLODJBXPA-OAHLLOKOSA-N 271.326 4.501 30 10 CJEE CCCC[C@](C#N)(CC)C[C@H]1CCC2(CCCC2)O1 2108205643 BQOCRXRVJSTWGL-HZPDHXFCSA-N 263.425 4.978 30 10 CJEE C=CC1(CN[C@H]2CCCCC23CCCCC3)CCC1 2111722420 YGLIUCHYXZTDMY-INIZCTEOSA-N 261.453 4.825 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](CS)CC1CC1 2112868950 ONJLEZXSWSNUNI-XLNGHYISSA-N 284.509 4.810 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H](O)c1cccc(C)c1 2113342833 PVOCSMKQXJOQFL-SJORKVTESA-N 259.393 4.529 30 10 CJEE C#CCCCC[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2116845894 UZKKRWBAVBVYJH-ZDUSSCGKSA-N 289.728 4.552 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H](CC)CC(F)(F)F 2116846413 AILYURLFGZCKTH-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE CC1=CC(=O)[C@H](C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 2119109444 OQTUEBNSKUVAHB-RWMBFGLXSA-N 274.326 4.671 30 10 CJEE CCCCCCCCNc1cc(OC)c(F)cc1F 2119978316 WFGYZSLROUOFBJ-UHFFFAOYSA-N 271.351 4.746 30 10 CJEE CC[C@H](CC(F)(F)F)CC1(C=O)CCC2(CC1)CC2 2120065197 QALJUWMVLPVWBE-LBPRGKRZSA-N 276.342 4.895 30 10 CJEE CC1(C)CCC[C@H](Nc2cc(Cl)c(C#N)cc2F)C1 2120891795 TYFFIVLNPWFFPD-NSHDSACASA-N 280.774 4.731 30 10 CJEE CCC1=CC[C@@H](CC2CCC(C(F)(F)F)CC2)C1=O 2122557433 QYVNLKOFISHAQJ-YDGIUTOCSA-N 274.326 4.671 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1C(F)(F)C12CCC2 2123086302 RPBFXFBILQFINR-UONOGXRCSA-N 271.395 4.536 30 10 CJEE C[C@@H]1CC=C(C(=O)[C@H]2CC23CCC(F)(F)CC3)CC1 2124846914 JYLTWHWMFHTHTH-DGCLKSJQSA-N 268.347 4.518 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ccc(F)cc2F)CC1 2125222935 KYJLHYHPWURQIB-NSHDSACASA-N 264.315 4.530 30 10 CJEE CC[C@](C#N)(c1ccc(C(F)(F)F)cc1F)C(C)C 2127916998 KMUPGDRMKWHNOP-CYBMUJFWSA-N 273.273 4.672 30 10 CJEE O=CC1(Cc2cccc(C(F)F)c2)CCCCCC1 2132857533 DPCKBWXMTGAGOJ-UHFFFAOYSA-N 266.331 4.706 30 10 CJEE C=CC1(CN[C@H]2CCC[C@@H](C(C)C)C2)CCCCC1 2132975583 MATXEEOLFITMHS-SJORKVTESA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1C[C@@H]1COC 2133561893 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LMYRZPJTQHFGET-UHFFFAOYSA-N 295.839 4.893 30 10 CJEE COc1ccc(SC[C@H](C#N)C2CCCCC2)cc1 397121479 ILOLDONMVWSGGZ-AWEZNQCLSA-N 275.417 4.507 30 10 CJEE CC(C)[C@H](C#N)CNc1ccc(Cl)cc1C(F)(F)F 397505345 FGZSBMDNIHTHEW-SECBINFHSA-N 290.716 4.566 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)cc(Cl)c1 398116272 PEVZLHAZKLZLCV-LLVKDONJSA-N 272.219 4.828 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@H]2C[C@H]2C1 403416312 WMIRIHXPSDOLIK-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE C=C(C)CC[C@H](NCC)c1cscc1Br 404788576 BRKIJHNMNXKASX-LBPRGKRZSA-N 288.254 4.518 30 10 CJEE C=CC[C@@H]1CCN(C(=O)Nc2c(C)cccc2C(C)C)C1 626200917 CLTUXUMBQKPJMG-OAHLLOKOSA-N 286.419 4.548 30 10 CJEE C=CCOc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1 642972749 KEDAFHNRLCKZGO-GOSISDBHSA-N 299.439 4.554 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)c(C)c1 686691787 RZLCAWAUGOYYJG-IBGZPJMESA-N 271.448 4.928 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC1CC1 686692257 CPPZDKRMLNLYAL-KURKYZTESA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CC[C@@H](CC)C1 686695195 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CC[C@@H]1CCC[C@](C#N)([C@]2(O)CC(C)(C)CC[C@H]2C)C1 713116368 DMGIWGBYSHGJML-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCC[C@H](C/N=C2/NC3(CCCCCC3)CS2)C1 713217637 XTHBJHDBUJQLAA-CABCVRRESA-N 294.508 4.598 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1ccc(CC#N)cc1 719217172 ZXYNCWTXKPJHKU-MRXNPFEDSA-N 256.393 4.523 30 10 CJEE C=C(C)CN(CC)c1cc(Cl)ccc1CNC(C)(C)C 723178618 AJLKTSBGMJZHIY-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C1CCCCC1)C1CC1 723880755 DXEPFWCOHSSDKV-GOSISDBHSA-N 268.404 4.638 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccnn1C1CCC1 724438364 NOMJHCJTWPKBJG-MRXNPFEDSA-N 277.456 4.619 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 724592261 KUBLVOBHOQLBQA-FGTMMUONSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](CC(C)(C)C)NCCC)CC1 724600748 RCYGYCPSFSCXSN-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CCC(CC=C)C(=O)N(c1ccccc1)[C@@H](C)C1CC1 1132254182 GZLAJBZTFHJAIQ-HNNXBMFYSA-N 283.415 4.587 30 10 CJEE C#C[C@H]1CCCCN1C(=O)C[C@H](C)CCCCCCCC 1134914958 ATESBZPJNHYOMU-MSOLQXFVSA-N 291.479 4.778 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(CC)cc2)C1 1165742729 CGCIRTYJPLJEFZ-WMZOPIPTSA-N 299.458 4.557 30 10 CJEE C=CC(C)(C)CCNCc1ccc(C(F)(F)F)c(C)c1 1179238376 LVCKCRAYFOTSKT-UHFFFAOYSA-N 285.353 4.706 30 10 CJEE C=CCCC[C@H](NC1CC2(CO[C@@H](C)C2)C1)c1ccccc1 1183550595 JQMOFCNDAHKRIA-VHBXLISGSA-N 299.458 4.631 30 10 CJEE CCCCCCCCCCN1C[C@H]2[C@@H](C1)C2(C)C 1191205264 ZQBIZRDXEIPUDU-IYBDPMFKSA-N 251.458 4.715 30 10 CJEE C=C(C)CN(Cc1ccc(F)c(Cl)c1)CC(C)C 1196467909 BVSWJXIRBVEFCY-UHFFFAOYSA-N 269.791 4.513 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](CC)c2ccccc2F)C1 1206475532 CBIVACNMMURUKI-JJRVBVJISA-N 261.384 4.611 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCCC(CC)(CC)C1 1254996545 VPHNOSRTBXWAQG-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 1265133601 RLRTXCDLKFEPKP-VQFNDLOPSA-N 291.479 4.654 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1ccccc1C(C)(C)C 1266410743 PGZLKPZLWRKQJG-CQSZACIVSA-N 274.404 4.630 30 10 CJEE C=CCCCC(=O)N(C(C)C)[C@H](c1ccccc1)C(C)C 1279600562 ANEIQDQFHWNMMP-IBGZPJMESA-N 287.447 4.977 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1299310930 ZWEHYSPVPXQWCD-ZYSHUDEJSA-N 299.458 4.677 30 10 CJEE C=C[C@@H](C)Nc1nc(C)nc2sc(-c3ccccc3)cc12 1307003148 VPJJUGLOBJVJJF-LLVKDONJSA-N 295.411 4.653 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCC[C@H](C)C1 1308585598 OESBTGYNSXUUBB-WMZOPIPTSA-N 257.421 4.501 30 10 CJEE C=CCC1(C(=O)NCc2coc3ccccc23)CCCCC1 1436425301 IJNGQWFOELZYKE-UHFFFAOYSA-N 297.398 4.576 30 10 CJEE C=C[C@@H](CC(=O)NCC1(CC(C)C)CCC1)c1ccccc1 1457937745 BCWBEJHBFPWLIN-KRWDZBQOSA-N 299.458 4.679 30 10 CJEE C=CCCCC(=O)Nc1cc(Cl)ccc1C(C)(C)C 1459527729 ORFFSUZTQHUYFF-UHFFFAOYSA-N 279.811 4.932 30 10 CJEE C=CCC1(C(=O)N[C@@H](CC)CCc2ccccc2)CCCC1 1461601253 SRFZTADOQVVXLC-SFHVURJKSA-N 299.458 4.651 30 10 CJEE C#Cc1ccc(CNc2ccc(C(F)(F)F)c(C)c2)cc1 1462029782 RYNONTVERYJAMY-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(CCC(C)C)c1C(C)C 1462189861 KKSVQXFQKOKPOB-OAHLLOKOSA-N 277.456 4.819 30 10 CJEE C=CCC[C@H](C(=O)N1CC(C)(C)[C@@H]1C(C)C)c1ccccc1 1468532426 YUTQTFATKQPGCD-ROUUACIJSA-N 299.458 4.629 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1C 1516963054 CVIBMXMBNRIMRQ-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C#CCC(C)(C)C(=O)OCc1ccc(C2CCCCC2)cc1 1519123216 WZPXJSHWTHSBCT-UHFFFAOYSA-N 298.426 4.827 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCC2(CCCCCC2)C1 1524174304 UCPKCDBLENBONK-INIZCTEOSA-N 277.452 4.552 30 10 CJEE C#CC[C@H]1CCCN(C(=O)[C@@H](C)CCCCCCCC)C1 1529683850 LSGCPTSWXZAWLO-ROUUACIJSA-N 291.479 4.635 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3c(c2)CCCCC3)CC1 1530742015 LGDSGPUUUDROOZ-UHFFFAOYSA-N 283.415 4.640 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C 1532344912 MPWFOKSABSFSDE-CRAIPNDOSA-N 287.447 4.801 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)c1ccc(CCCC)cc1 1532451621 XEZILEAKZDFQLY-OAHLLOKOSA-N 273.420 4.594 30 10 CJEE C=CC[C@H](C(=O)NC[C@H]1CCCC[C@@H]1CC)c1ccccc1 1534423968 HRSBHPWANMYDMA-UHOSZYNNSA-N 299.458 4.679 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)CCCCCC)c1ccccc1 1540574069 BEGREDZVXOIGAW-IAGOWNOFSA-N 287.447 4.821 30 10 CJEE C#CCCCCCCN(CC)[C@H](C)c1cccc(OC)c1 1559494633 KOARQTMLBQEENV-QGZVFWFLSA-N 287.447 4.662 30 10 CJEE CCCCCCCCN1CCC[C@H]1COC(C)(C)C 1560131191 XIUQNTPQDAMTSA-INIZCTEOSA-N 269.473 4.626 30 10 CJEE CCCCCCC[C@@H](C)NCC(C)(C)C(F)(F)F 1560780847 RLWGSPQDOPCOMX-GFCCVEGCSA-N 267.379 4.914 30 10 CJEE C#Cc1cccc(CN[C@@H](C)CC(C)(C)c2ccccc2)c1 1560886894 MPHGPDABRUZFRV-KRWDZBQOSA-N 291.438 4.514 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 1584960148 JUTMUVGCNOLUQN-MRXNPFEDSA-N 299.801 4.947 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc2occc2c1)c1ccccc1 1588226073 MIBQVAKRMBMDLG-KRWDZBQOSA-N 291.350 4.731 30 10 CJEE C=CCCCCN[C@H](C)c1cc(OC)c2ccccc2c1 1620646343 XKKHABUZTTXPSG-OAHLLOKOSA-N 283.415 4.855 30 10 CJEE C=C(CC(C)C)C(=O)NCC1CCC(c2ccccc2)CC1 1627591220 LZIDSBAAGQZMQD-UHFFFAOYSA-N 299.458 4.679 30 10 CJEE C=C(CC)CN1CCC[C@@H]1[C@@H](CC)c1ccccc1 1641879429 IKVGGMXYRLEQRY-ZWKOTPCHSA-N 257.421 4.611 30 10 CJEE C=CC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1 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4.703 30 10 CJEE CCCC[C@](C#N)(CC)CC12C[C@@H]3CC(C[C@H](C3)C1)O2 2164474205 AFXSPFTWVZWQBO-RXRGVVTNSA-N 275.436 4.834 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1Cc2cc(F)ccc2O1 2164475009 JKYYPMRSQOZXLG-RDJZCZTQSA-N 275.367 4.629 30 10 CJEE CC(C)(C#N)CCCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166175467 PQKOAWDKOOIWCA-IKGGRYGDSA-N 276.468 4.512 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3[C@H]4CCCCC[C@H]43)C[C@@H](C1)C2 2167269243 RNRIHSBGTBLVQV-LNOWYTEYSA-N 273.464 4.537 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@H]2C(F)(F)C23CCCC3)CCC1 2168027089 ARTWKVJYTGVHGF-KGLIPLIRSA-N 283.406 4.536 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)C2(C)CC(C)(C)C2)CC1 2169175648 BGDOBRLDQXWDKO-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)C2(C)CC(C)(C)C2)CC1 2169175650 BGDOBRLDQXWDKO-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CCO[C@H](C)c1nc(C[C@]2(C#N)CCC[C@H](C)C2)cs1 2169802719 BPYCKKXNDWEYHK-ZENOOKHLSA-N 292.448 4.503 30 10 CJEE C=CC1(C[C@H](NCCC)c2cnc(CCC)s2)CCC1 2170777358 MUEWNTLUBIOWNI-AWEZNQCLSA-N 292.492 4.883 30 10 CJEE CC(C)(C)[C@H](C#N)CN1CCCC2(CCCCC2)CC1 2171392445 GMTKOFUQWRSJCI-MRXNPFEDSA-N 276.468 4.609 30 10 CJEE CCC1(CC)CCC(N[C@H]2CCCCC[C@@H]2C#N)CC1 2171530357 CXWZHOVDFVIIMQ-WBVHZDCISA-N 276.468 4.797 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N1CCCC[C@H]1C1CCCC1 2171664273 JQFYISLIKZNCJT-BZSNNMDCSA-N 274.452 4.504 30 10 CJEE C=C[C@@H](C)C[C@@H](CC1CCC(C(F)(F)F)CC1)NCC 2173290540 OOYJCOSEPVZKHT-URGYJCLVSA-N 291.401 4.936 30 10 CJEE N#C[C@]1([C@@H](O)CC2CCCCCC2)CCCCC12CC2 2173615912 PJFLEWHWZNTAPT-WMZOPIPTSA-N 275.436 4.572 30 10 CJEE CC[C@@H]1CCC[C@@](O)(C2(C#N)CCC3(CC3)CC2)CC1 2176614314 RTZWCIKNZLRKKN-QAPCUYQASA-N 275.436 4.572 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)NN 2177493599 GRVVIOMDPAFKKS-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(F)c2c1CCC2 2178080153 UGIJSTBKMNCOQA-SFHVURJKSA-N 278.411 4.882 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(O)CCC=C1C 2179169628 BDPQIGUBBUUHMO-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCC[C@@H](NCC)C1(c2ccccc2)CCC1 2179678624 DSIOTZIFGGJDHL-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CCC1(C)CC1)NCC 2179718452 CTJSUUANEDLZJW-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCCCCC1CC(N(C)[C@@H]2CCCCC[C@@H]2C#N)C1 2180045956 QGYAEKXTJXDZHN-GPQLOAJWSA-N 276.468 4.750 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@@H]2CC[C@H](C1)O2)NC 2181423063 WQQVPASDFKUITR-XLAORIBOSA-N 281.484 4.673 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2coc(C(C)(C)C)n2)CC1 2181644515 KLODEHQSGTVCPX-GFCCVEGCSA-N 275.392 4.537 30 10 CJEE CCCC1CCC(CC#C[Si](C)(C)C)(CNCC)CC1 2187468099 KZYOFNXWNNXIDU-UHFFFAOYSA-N 293.571 4.844 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OCCF)cc1 2189497187 KGAFUXWMUFRVKA-KRWDZBQOSA-N 281.415 4.785 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1C[C@@H]1COC 2190032311 KNPDLTASCKRCJY-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE C=C1CCC(C[C@@]2(C#N)CCOC23CCCCC3)CC1 2190625941 MZNFSIOXSDLVTA-QGZVFWFLSA-N 273.420 4.756 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1N1CCC[C@@H]1C1CCCCCC1 2192031268 IGSAHSJUZVMXHU-KSZLIROESA-N 274.452 4.504 30 10 CJEE CCCCCCC[C@@](C)(OCC1CC(C)(C)C1)C(=O)O 2192290443 RSXFVJNAPIUVIW-QGZVFWFLSA-N 284.440 4.643 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@@](C)(CC)CC[C@H]1O 2196723995 OUKXZWAKQBADKC-KURKYZTESA-N 283.500 4.608 30 10 CJEE C#CC[C@H](CC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 2196827703 SLUSAIFWOYTQHP-DZOHQFGASA-N 272.432 4.602 30 10 CJEE C#CC[C@H](CC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C1CC1 2196831891 FAYWDBXOZGIRGR-BRSBDYLESA-N 272.432 4.602 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H]1C[C@H]1CCC)NC 2200403596 SCOQHFGCGOORDQ-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)[C@@H]1C[C@H]1C(C)C 2200558010 UHGRANBZDDHWNW-LZLYRXPVSA-N 282.468 4.739 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CCCCCC1(F)F 2203789943 GFMAFBWLFPRAOT-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H]2CC[C@H]1[C@H](N)C2 2204621874 GXSMHZBHWMZOTA-WNRNVDISSA-N 281.484 4.660 30 10 CJEE C=CCCCCCC[C@H](NN)c1csc2ccccc12 2206894032 GKCMSOQQMURQMK-INIZCTEOSA-N 288.460 4.932 30 10 CJEE C=CCCCCCC[C@@]1(C=O)CCCc2ccccc21 2206898618 IFHLLFGACIPTDI-IBGZPJMESA-N 270.416 4.986 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1CCC(C)(C)O1 2207374465 PRUDLGJIFMLTQU-KRWDZBQOSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C(C)C)CC1=O 2207375370 FVZPDHKDDKFKNO-KRWDZBQOSA-N 279.468 4.798 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1CC[C@@H](OC)C1 2207382842 WRWMPOJCZOGXAG-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@H](O)CC1(CN)CCC1 2207392503 QZXDVULLRRNEFC-KRWDZBQOSA-N 281.484 4.563 30 10 CJEE C=CCCCCCCCCN[C@@H](C)Cc1ccccn1 2207397435 SIVNCOBRMYPACD-KRWDZBQOSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCCCC[C@]1(CN)CCCOCC1 2207406994 ANBXPZSMQMMNHW-SFHVURJKSA-N 281.484 4.829 30 10 CJEE C=CCCCCCCCCC[C@@H](COCC(C)C)NC 2207426411 BDGUMHFQJVISPU-SFHVURJKSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@H](N)c1c(C)nn(C)c1Cl 2207427447 MSMYOOPEBMFGLM-AWEZNQCLSA-N 297.874 4.689 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CC[C@@H](CC)NC1 2207431042 AYKXWVNXMMHIIP-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1C[C@H]2CC[C@H]1O2 2207432152 MKNVZZMQLPALHM-BRSBDYLESA-N 279.468 4.578 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CO[C@H](C(C)(C)C)C1 2207434284 CECICRBCOOMDCW-WMZOPIPTSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@H]1CCCCS1 2207434875 DXYUPMIFMKSNMA-IAGOWNOFSA-N 298.540 4.801 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@](C)(O)CCCCC 2207438050 ONRNTMCNSUQBKD-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CC[C@@H](COC)C1 2207438155 PCKRQUDCMKTOHA-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@@H](N)C(C)(C)[C@@H]1CCCO1 2207442730 UBXFBQHDPBPLSU-SJORKVTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@@H](N)c1csc(C)c1 2214613466 NUVVVAWZXKYELA-OAHLLOKOSA-N 251.439 4.973 30 10 CJEE CCC(=CC(=O)c1cc(C)c(Br)c(C)c1)CC 2214656780 RXGSUNJJJWICNA-UHFFFAOYSA-N 295.220 4.995 30 10 CJEE C=C(C)CCCN[C@H](C)c1cc(C)cc(Cl)c1 2216173779 YHYDFBCUIOQHOV-CYBMUJFWSA-N 251.801 4.655 30 10 CJEE C=C[C@H](CCCCC)Oc1c(N)cccc1Br 2216942600 CSFMAPWUSYPMBT-LLVKDONJSA-N 298.224 4.545 30 10 CJEE C#CC[C@H](COc1c(C)cc(Cl)cc1Cl)C1CC1 2217703825 HZNORLIGHHOELS-GFCCVEGCSA-N 283.198 4.730 30 10 CJEE C[Si]1(C)CCC(C#N)(c2ccc(F)c(Cl)c2)CC1 2218187563 GQAALRVDQOHXEZ-UHFFFAOYSA-N 281.834 4.743 30 10 CJEE CCCCCCCC[C@@](C)(O)CCCOC(C)C 2223830799 RSTILOBYWGRQMN-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE O=C[C@@]1(C/C=C/c2ccccc2)CCCCC12CC2 2226196987 RVAXZZNKQYADCZ-YOCVDRLZSA-N 254.373 4.629 30 10 CJEE C=CCCCCCCC[C@@]1(C=O)CCOC(C)(C)C1 2227266029 QIIYSGCTELVPOP-QGZVFWFLSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1ccc(F)cc1 2227273790 IHVCAMJUTNCWQA-QGZVFWFLSA-N 264.384 4.950 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CCC[C@H](F)C1 2227280723 CNKGGELDIYEEGH-SJORKVTESA-N 269.448 4.973 30 10 CJEE C=CCCCCCCCOc1cccc(F)c1C=O 2227287574 LWYLMZPERHGQPF-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE CCCCCCCCCOC[C@@H](NCCC)C1CC1 2230978016 MBXQLNACMCGJFR-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCNc1ccc(Cl)cc1CO 2231237424 IXHOBENSAYFXDO-UHFFFAOYSA-N 283.843 4.995 30 10 CJEE C=CC[C@@H](C)Oc1c(CN[C@H](C)CC)sc(C)c1C 2231475541 DCJXJGSLXFPOCI-VXGBXAGGSA-N 281.465 4.596 30 10 CJEE C=CC[C@H](CNC1CCC1)Cc1ccc(Cl)c(Cl)c1 2231572574 NEVILGGQHPFVLA-ZDUSSCGKSA-N 298.257 4.870 30 10 CJEE CCCCCCCCCC[C@H](CNC1CCC1)OC 2231587709 YCHYNXQHVAVPCP-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CC1=CCCC1 2231926102 QWYJJCUYLQGCHN-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE C=C1CCC(CC(=O)CC2CC(OC(C)(C)C)C2)CC1 2232955787 RHBMHCGNHUZFRM-UHFFFAOYSA-N 278.436 4.676 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1cccc(C2CC2)c1 2233798351 KDDMPMHQKZXXKL-SFHVURJKSA-N 269.432 4.654 30 10 CJEE C=CCCCCCCCCOC[C@H](CC1(C)CC1)NC 2234049050 SFUIUOKSGIPYKY-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)CCCCC1CC1 2234077612 GXMSUFUTWGFADK-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CCCC2(CC2)C1 2235533533 BGHRWNAAKHDROX-IRXDYDNUSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCC(=O)CC[C@@H]1CCCC[C@H]1N 2235534401 HFTNDKLNPNJGFU-FUHWJXTLSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCOc1cc(Cl)cc(C(=O)O)c1 2235539788 QXKHMCBNPOWOPE-UHFFFAOYSA-N 296.794 4.944 30 10 CJEE CC(C)(C)C#CCN[C@@H]1CCCC[C@H]1C1CCCCC1 2238714907 DMJDCACPOXUIDD-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)CC1(C)CCCC1 2239452785 KEMVBQIZPSPSLO-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE C=C[C@H](CC)OC[C@@H](NCCC)c1c(F)cccc1Cl 2239492228 IIQBHBMGALTBNZ-IUODEOHRSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCCOc1ccc(C#N)c(N)c1 2239494020 YXWXPRAHWPUMCM-UHFFFAOYSA-N 274.408 4.660 30 10 CJEE C=C[C@H](CCCCC)OCc1cccc(CNC)c1Cl 2239501670 MUDZJRDLYZTRFA-MRXNPFEDSA-N 295.854 4.711 30 10 CJEE C=C[C@@H](CCCCC)Oc1ncc(CN[C@H](C)CC)s1 2239506086 WHLLWPGANAXTSZ-KGLIPLIRSA-N 296.480 4.545 30 10 CJEE CCCCC#CCNc1cc(Cl)c(Cl)cc1C 2247672480 YOGCOIVXAKOZBI-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE CCC[C@H](CS)CSC[C@@H]1CCCCC1(F)F 2248090084 BLHGCGYUQZIAKV-NEPJUHHUSA-N 282.465 4.891 30 10 CJEE CCCC[C@H](CC)CSC[C@H](C#N)C(F)(F)F 2252959323 GWNJFKVBZNZLRX-QWRGUYRKSA-N 267.360 4.638 30 10 CJEE C=CCCSc1ccc(CN[C@@H](C)CC)c(C)c1 2258980094 AYAFQWSRLCFJOV-AWEZNQCLSA-N 263.450 4.551 30 10 CJEE C=C(C)CCCC[C@@H]1CC(C)(C)CC[C@H]1C(=O)O 2259187432 LLNYCIOSWZVLEQ-ZIAGYGMSSA-N 252.398 4.650 30 10 CJEE C=C(C)CCCC[C@@H]1CC[C@H](NCCC)[C@H]1CC 2259197466 ZCLWNRGUAXVXBL-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1CC1(F)F 2263669960 HGOPFHDVIAMMMB-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE Cc1c(F)ccc(Nc2ccc(C#N)cc2Cl)c1F 2264427463 GWWVQJCBIIIFSE-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC1(C)CC(C(F)(F)F)C1 2264645342 ABPRUIPSPUWDRQ-RYSNWHEDSA-N 276.342 4.751 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CC(F)(F)C12CCC2 2266152585 MZJGETSQXQFRTQ-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@]1(C)Nc2cc(F)c(F)cc2O1 2268220046 YRSZVWSZZMCYHC-OAHLLOKOSA-N 269.335 4.846 30 10 CJEE CCCCCCC[C@H](N)c1cc(C(C)(F)F)ccn1 2268832343 SVTZPPZGZGYPKP-ZDUSSCGKSA-N 270.367 4.554 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1c(C)cc(C)cc1C 2271786338 VTVMTVHFHVYEHM-GOSISDBHSA-N 259.437 4.922 30 10 CJEE C=C[C@@](C)(CC[C@H](C)CCCC(C)C)C(=O)OCC 2272303883 SPGYKWGAYLIFGI-WBVHZDCISA-N 268.441 4.984 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1sccc1CC 2273974390 DJNGRMPYPJMGCU-INIZCTEOSA-N 275.461 4.545 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(N)CC#CC1CCCC1 2274164401 KBXHMDLZEFVMET-AEFFLSMTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1cccs1 2276159180 QJIPHGCHBUHSFD-INIZCTEOSA-N 283.481 4.689 30 10 CJEE CC(C)CCC[C@H](C)CCNCc1ccsc1C#N 2277477317 AQLNHAIFPXTNLE-AWEZNQCLSA-N 278.465 4.562 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCC=CO1 2278229506 MIGVKGYIPSTJMP-SJORKVTESA-N 267.457 4.798 30 10 CJEE N#C[C@H](c1ccc2ccccc2c1)[C@H]1CCCC[C@H]1F 2279753584 DNZSSLXQVMMVMT-KZNAEPCWSA-N 267.347 4.975 30 10 CJEE N#Cc1cccc(F)c1Nc1ccccc1SC(F)F 2280477636 ZEGVLBXGRDCEDI-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2cc(C)c(C#N)c(C)c2)C1 2280564032 PZVZURAOZVAKKW-WBMJQRKESA-N 268.404 4.579 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CC(F)(F)C23CCC3)C1 2281062563 AXDYIFPFQNXDAX-AWEZNQCLSA-N 283.406 4.538 30 10 CJEE CC[C@](O)(CC=CC#CC(C)(C)C)c1ccc(Cl)cc1 2284082138 RSCUJBHWVYTXLD-SFHVURJKSA-N 290.834 4.933 30 10 CJEE C[C@@H]1CC[C@@H](C(C)(C)CC=CC#CC(C)(C)C)[C@@H](O)C1 2284110558 DXNIQBDEYQOGMN-ZACQAIPSSA-N 276.464 4.806 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@H]1CCC12CCCCC2 2284182881 JXGORWMJTIWWOL-KRWDZBQOSA-N 273.464 4.637 30 10 CJEE CC(C)(C)C#CC=CCNCCC12CCC(CC1)CC2 2284184568 GWWGEPZZVRMYJS-UHFFFAOYSA-N 273.464 4.542 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)C[C@@]1(C)COC 2284728903 WYDSTXUZGCIDFF-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE C=CCCCSC[C@H](NC)c1ccc(C(C)(C)C)cc1 2287065464 MXWCGVHOROQWSH-KRWDZBQOSA-N 291.504 4.944 30 10 CJEE C=CCCCCCCCSc1cc(C)ncc1C(=O)O 2287084463 OTOUIVVMWQSTNG-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=CCCCSc1cccc(OC)c1[C@@H](C)NCCC 2287182853 RHVLWYHBGGRYJM-CQSZACIVSA-N 293.476 4.814 30 10 CJEE C=C(C)CCCCC(=O)c1cc(C)nc2ccccc12 2287376908 GHYHAQUYPMAZGE-UHFFFAOYSA-N 267.372 4.862 30 10 CJEE CCCCCCCC[C@H](C)NCc1nc(C2CC2)ns1 2287909601 JJKVPNLMSKEQCH-ZDUSSCGKSA-N 295.496 4.644 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@]12CCCC[C@@H]1CCC2 2289785350 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Cc1cc2ccccc2nc1C1(C#N)CCC(C)CC1 380482295 LFVLZLJAXHRYEX-UHFFFAOYSA-N 264.372 4.515 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1c(Cl)cccc1[N+](=O)[O-] 385101666 ZUIWVAGJWXIZCS-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE C=CCCCCNCc1cc(-c2cccs2)cs1 385983335 RIQFZFCSBWYKGP-UHFFFAOYSA-N 277.458 4.923 30 10 CJEE C=CCOc1ccccc1CN[C@@H](C)CCC(C)(C)C 386100957 IAJXSZTZUJIVRD-HNNXBMFYSA-N 275.436 4.556 30 10 CJEE C=CCCNc1cc(Cl)c(Cl)c(Cl)c1 404190214 FEEACMXFEUYVII-UHFFFAOYSA-N 250.556 4.635 30 10 CJEE C=C(C)CCS[C@@H](C)c1ncc(C(C)(C)C)o1 507851050 MWCHGXBMNPKJIL-NSHDSACASA-N 253.411 4.733 30 10 CJEE CCOc1cc(Nc2cccc(Cl)c2C#N)ccc1C 690127648 SLRLKQRKULMQBQ-UHFFFAOYSA-N 286.762 4.662 30 10 CJEE CCC1(CC)CCCN([C@@H](CC#N)c2ccccc2)C1 690552088 SKMRJASCEHXNJB-KRWDZBQOSA-N 270.420 4.544 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC[C@@H](C)c1ccccc1 692215373 QIIVTEVLDPUAFW-BHIYHBOVSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CCOC1(C)C 693157064 XKPOJVYMDNCWEO-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE 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C=CCCCCCC[C@@H](O)c1cccc(Cl)c1OC 2267956351 IDYQCFKRNJJBNG-OAHLLOKOSA-N 282.811 4.909 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CSC1CCCCC1 2268725230 FTJAURZPKYYQQP-UHFFFAOYSA-N 278.461 4.617 30 10 CJEE CC[C@@H]1CCCC[C@@H]1C(=O)CC=CC#CC(C)(C)C 2268740082 AYVJXSSZOWAOPJ-CVEARBPZSA-N 260.421 4.768 30 10 CJEE CCC(CC)(CC#CC1CCCC1)CNCC(C)C 2274167523 XYJJUDCBIDRQRO-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=C(C)C[C@](C)(CCCCCCCC)OCC(=O)O 2275165018 UESFRPXKJDEXFU-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCC[C@H](OCCCN)c1csc(C)c1C 2276512086 UNFRADRFFQQBRC-INIZCTEOSA-N 281.465 4.518 30 10 CJEE Cc1cc2cc(Cl)ccc2n1Cc1ccsc1C#N 2277462617 YZQABCVHDKEMEK-UHFFFAOYSA-N 286.787 4.585 30 10 CJEE CN(CCCCCCCS)C1CC2(C1)CC(C)(C)C2 2277503448 XDIQZBNPOGBZEC-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(OCF)cc1 2278494265 RLCCVZLUQIALHX-INIZCTEOSA-N 267.388 4.527 30 10 CJEE C1C[C@H](CCCC23CC4CC(CC(C4)C2)C3)[C@H]2O[C@H]2C1 2279764365 YPTXJVJXGFPLET-ATOGSCFCSA-N 274.448 4.941 30 10 CJEE CO[C@H](CS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N)C(C)C 2283994892 VIZAGGJYXYHZCF-ZJIFWQFVSA-N 297.508 4.745 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCCC(F)(F)C1 2284073670 SPEXCYXTPJQCDN-CQSZACIVSA-N 282.374 4.767 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1scc2c1CCCC2 2284162172 LQQLMRFSEWIMCA-INIZCTEOSA-N 287.472 4.623 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@H]1CC(C)C 2284162856 SHYNUGNDGLFPBX-KZNAEPCWSA-N 275.480 4.643 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CC1CC2(CCC2)C1 2284173733 ABVVYNUFZILZNX-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@H](NCC)C1(O)CCC=CCC1 2285701464 FMEIYQKTVJALAT-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(C)ccc1OC 2287464711 BWVVEJAHCJGKSZ-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2CC3(CC(F)C3)C2)CC1 2287738266 HSKZZCRJCFGUJP-QQQDYKAYSA-N 279.443 4.629 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1csc(C)c1C 2289687324 LJIFUYDKJLSJAF-SFHVURJKSA-N 289.488 4.989 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1c(C)coc1C 2289787919 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2321097401 APJZSCDERPHWPM-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC1CC(C(C)(C)C)C1 2321107089 DBKXQIVUPPKYSL-UMPYDWHISA-N 251.458 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC[C@@H]1C[C@H]1C)NC 2321111625 AKJHRWXDRIYRMA-NCOADZHNSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC1CCCCC1)NC 2321134418 OAMDNBCAERMLES-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1cccc(Cl)c1F 2321177481 QBKAKWUQKQNVDU-OAHLLOKOSA-N 268.759 4.583 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC[C@H]2CCC(C)(C)C2)C1 2321639574 MGCGWLKUOJNYCL-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(SC)ccc1Cl 2335201940 XZVCJQUQAQUGIC-UHFFFAOYSA-N 296.819 4.740 30 10 CJEE C=CCC(CC=C)Sc1ccccc1CNC(C)C 2335234372 GOLPVHPMVIJDOY-UHFFFAOYSA-N 275.461 4.798 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)cc1CNC(C)(C)C 2335246518 WVLCCNKRZAYAEC-CQSZACIVSA-N 277.477 4.940 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC1CC[Si]2(CCCC2)CC1 2337112498 DQYMUQDNBBONOB-RDJZCZTQSA-N 277.528 4.726 30 10 CJEE C=CCC(CC=C)C[C@@H](NCC)c1cccc(F)c1 2338668835 YZKJSSMTEZVNSH-QGZVFWFLSA-N 261.384 4.635 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1COCC1(C)C 2338977623 IWXIIVYUJIEVID-WBVHZDCISA-N 270.457 4.551 30 10 CJEE Cc1c(F)ccc(CC2(C=O)CCC(C)CC2)c1Cl 2339182570 JDLKPADVJZAXEE-UHFFFAOYSA-N 282.786 4.725 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)CCS[C@H](C)C2)c1Cl 2339207804 SVRMNTDEGWPIKP-MEBBXXQBSA-N 297.826 4.756 30 10 CJEE CC(C)(Cc1ccccc1)C[C@@]1(C#N)CC=CCC1 2339447927 JGLIUMURNPMQPG-GOSISDBHSA-N 253.389 4.895 30 10 CJEE C=CCCC[C@H](NCCC)c1ncccc1C(C)C 2340247042 JWQZKBYSIYPFOB-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CSc1ccc(COc2ccc(Cl)cc2C#N)cc1 2340457373 JQCDWFNWMWLBDR-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE C=CCC[C@@H](C)N(C)CCCCC(F)(F)C(F)(F)F 2342307762 SMOIQPVVRGXWJR-LLVKDONJSA-N 287.316 4.641 30 10 CJEE C=CCC[C@@H](NC)[C@@H](c1ccccc1)C1CCCC1 2342354289 QTRDENKOVFRXOF-MSOLQXFVSA-N 257.421 4.515 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncc(C(F)F)s1 2343520821 IYXVHVBVCCUOBB-LLVKDONJSA-N 288.407 4.997 30 10 CJEE 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4.592 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc2ncccc2c1 69502958 UIHYRTWIWBJBKN-KRWDZBQOSA-N 293.757 4.565 30 10 CJEE CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86900381 MBQPFHRCFVQHAO-HDMKZQKVSA-N 270.420 4.568 30 10 CJEE Cc1ccc(F)cc1CC1(C#N)CCCCCCC1 97856975 HDXJNOQMNBFSAV-UHFFFAOYSA-N 259.368 4.931 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cccc(F)c2C)cc1C 103030858 PZBGEFNBCYHHSA-KTKRTIGZSA-N 283.346 4.559 30 10 CJEE CCCCCCCCCC[C@H](CSC)NCC 103942302 DPZXXWVPSLRNBH-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCO[C@@H](CNC(C)(C)C)C(C)C 104003288 JTPAVBPHCIRJFB-INIZCTEOSA-N 271.489 4.776 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)c(OC)c(Cl)c1 107536750 VFYUOBPMZUVUMM-SECBINFHSA-N 257.160 4.519 30 10 CJEE CCCCCCCCO[C@@H](c1ccccc1C)[C@@H](C)N 109988963 VNBJCEQKULIIBH-SJLPKXTDSA-N 277.452 4.760 30 10 CJEE CCCCCCCC(=O)c1cc(C)ccc1OCC 110174891 XYVKVJRZYLZXST-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CCCCCCCn1nc(CNCCC)c2ccccc21 112932115 CPRCMZJMSXJNTO-UHFFFAOYSA-N 287.451 4.506 30 10 CJEE CCCCCCCCCn1ncc(CNCC(C)C)c1C 114625509 NXKMNDCHQZGBLE-UHFFFAOYSA-N 293.499 4.688 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C)cc1C 122371868 RZYDRYMIMZMAGF-QGZVFWFLSA-N 262.441 4.558 30 10 CJEE CCCCCCCCCc1nc2c(C#N)cccc2n1C 126791303 CNPBGNAFFIBZGZ-UHFFFAOYSA-N 283.419 4.738 30 10 CJEE CCc1ccc(Oc2cccnc2C#N)c(C(C)(C)C)c1 130107624 HABCMOXABQSJQV-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(OCC)CCCC1 130992148 ATRPXTPMDAXOCT-KRWDZBQOSA-N 298.515 4.698 30 10 CJEE CCN(c1ccc(C)cc1)c1cccc(SC)c1C#N 136655017 XCHAGUAEOJICTN-UHFFFAOYSA-N 282.412 4.747 30 10 CJEE CCCCCCCCCNCCCC(F)(F)F 149048066 IVRXYLDOTXPUMX-UHFFFAOYSA-N 253.352 4.669 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(C#N)Nc1ccccc1Cl 156060674 FWCFBRKKWNXNPH-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C[C@H](C[C@H](O)C1(C#N)CCCCCCC1)c1ccccc1 156815227 VZOZVEIBPDJDRY-AEFFLSMTSA-N 285.431 4.795 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(C(C)C)cc1 158898614 CXQVCQHMTXXIGD-LJQANCHMSA-N 273.464 4.933 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(C)c1F 158961934 VTSZMAVETYJTIK-HNNXBMFYSA-N 251.389 4.885 30 10 CJEE C=CC[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 162642781 GRZFLAJSHRSXSB-HZMBPMFUSA-N 272.219 4.999 30 10 CJEE COc1cccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)c1 210425664 COHLWWDJSFKIRR-RAXLEYEMSA-N 294.394 4.889 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H](C#N)c2cccc(Cl)c2Cl)C1 212952790 CTVYIMGHPNKSST-WDMOLILDSA-N 297.229 4.536 30 10 CJEE CC1(C)CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccc(Cl)cc1 226592533 QVNQYHGTJNTIBT-LSDHHAIUSA-N 289.806 4.733 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCCC)[C@@H](C)C1 227579961 NODGNODSLWLINW-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Cl)ccc2F)C1 231191568 LWLNTBCPIXSIHT-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCCC[C@H](O)c1cnn2ccccc12 231957621 XUTDWIDMRJFULF-KRWDZBQOSA-N 274.408 4.508 30 10 CJEE Cc1ccc(Cl)c(Nc2ccc(Cl)cc2C#N)c1 232245057 PEXJSMBEZAZWOA-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCCOc1ccc(CN)cc1F 232344409 QWWISAQNSPNZES-UHFFFAOYSA-N 281.415 4.804 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc3cccc(F)c3o2)CC1 235380362 GFWJTRLACFUKKG-JTQLQIEISA-N 258.292 4.501 30 10 CJEE C=CCCCCCNc1ccc(F)cc1Br 236196811 GONXPNNVBXLOJE-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C=CCCCCC[C@@H](O)Cc1cccc(C(F)(F)F)c1 236548315 LVTZBSXJZMZNEO-OAHLLOKOSA-N 286.337 4.745 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C=C)/C=C\c1ccccc1 309596637 BPELXKISWLRPPM-LKBMAGLMSA-N 299.414 4.678 30 10 CJEE CCC(CC)Oc1c(C(C)=NO)ccc2ccccc12 312142480 UNPVTITXAOPIKV-UHFFFAOYSA-N 271.360 4.605 30 10 CJEE CNC[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC#CC(C)(C)C 312208218 MPNDXWJWRXKJJJ-ULQDDVLXSA-N 277.496 4.724 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccsc1Cl 312553480 WTGWLPMUDUVBSL-GFCCVEGCSA-N 274.861 4.657 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1csc2ccccc12 317084079 AEFHBMFOUBPTFT-CXAGYDPISA-N 272.413 4.839 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCC[C@H](C)C2)c(Cl)c1 317432933 PUNKNYCCUVPKOG-BBRMVZONSA-N 264.796 4.586 30 10 CJEE CC#CCCC1(CNCC(C)C)CCC(CC)CC1 318559547 KLVUOFDZLAHECJ-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1CSC 380922011 LUWJUWQKEBXYPL-QGZVFWFLSA-N 294.508 4.805 30 10 CJEE CC(C)(C)C1CCC(C#N)(c2ccncc2Cl)CC1 382241817 CAYUUSHUUJVAJW-UHFFFAOYSA-N 276.811 4.733 30 10 CJEE Cc1cc(Cl)cc([C@@H](C#N)Nc2cccc(Cl)c2)c1 395226198 PUODYMXCSLGURJ-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(C)cc1)[C@@H]1CC1(C)C 397686260 LPKBWATYLPJHAA-WBVHZDCISA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)CC(F)(F)F)NN 402529378 TWKWSARLJWWFCL-ZIAGYGMSSA-N 296.421 4.938 30 10 CJEE CCCCCCC[C@@H](O)C[C@H](C)CC(F)(F)F 402871615 ZJLNSPMHEUGJOU-NWDGAFQWSA-N 254.336 4.686 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCCCC[C@H]1N 403350742 FCZLZWLIQYOCCV-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CC)Cc1ccc2ccccc2c1 464646839 ZWWYQLCDLFWIMC-MRXNPFEDSA-N 295.426 4.791 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(C(F)F)c1Cl 466317987 AIPAZNAMXFNUET-VIFPVBQESA-N 287.737 4.818 30 10 CJEE CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512630037 LFXBHSIOZMMJHH-HOCLYGCPSA-N 296.389 4.542 30 10 CJEE COc1c(C(F)F)ccc(C(F)(F)F)c1C(F)(F)F 575380488 NLJNOEJSGDKCOF-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE N#Cc1cnccc1Oc1ccc2oc3ccccc3c2c1 614115124 ZNJUZNJKBXDRJE-UHFFFAOYSA-N 286.290 4.645 30 10 CJEE CCCC1([C@H](C#N)Nc2cccc(Cl)c2)CCC1 686134720 WANLBPXTILPRPY-AWEZNQCLSA-N 262.784 4.614 30 10 CJEE C#CCCCCC[C@H](C[C@@H](C)C(C)(C)C)NCC 686686461 JPJFNEZYNBKEHH-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 686696176 WJUKYRKYMBDUMN-GUDVDZBRSA-N 277.496 4.868 30 10 CJEE CC(C)(C)C#CC[C@H](N)C1CC(C)(C)CC(C)(C)C1 688314897 BUWYRWFEEPBYEK-HNNXBMFYSA-N 263.469 4.606 30 10 CJEE CC(C)(C)[C@@H]1CSC(=Nc2cccc(C3CCC3)c2)N1 690141466 YJOJBQSQNFDZOC-HNNXBMFYSA-N 288.460 4.693 30 10 CJEE CCCCCCCCCC[C@@H](O)c1c(C)n[nH]c1C 693113133 RENCYAAHIHNCFA-OAHLLOKOSA-N 266.429 4.591 30 10 CJEE C=CCCC[C@H](NCC)c1cc2cscc2s1 694415071 AKPUOGFUDLHBOT-LBPRGKRZSA-N 265.447 4.970 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(N)c1F 696680647 RHKSUEIWGWPCAB-HNNXBMFYSA-N 267.388 4.582 30 10 CJEE CCCCCCCCN[C@H]1Cc2ccccc2[C@@H]1C 698907583 DPENDQZJHDFRJN-YJBOKZPZSA-N 259.437 4.665 30 10 CJEE C=CCCCCC[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C 699098726 YHKKTBIHSWOBBH-YQQAZPJKSA-N 252.442 4.946 30 10 CJEE CC(C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCC(C)(C)C 700615056 AYKDMVMULODNIZ-KRWDZBQOSA-N 296.455 4.740 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cc(Cl)ccc21 701872969 YNLQMNLDVWBMOU-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE C[C@H]1C[C@H](N(C)CCCCCCS)CC(C)(C)C1 708583404 JITABJBMZIOFAG-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C1CCC1)[C@H]1CCOC1 711841587 JKFFVMXMJOPGMP-RYQLBKOJSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 715040651 RUDGXHYDSPMKCK-QMMMGPOBSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C)c1Cl 715704434 JQMLJKPXIXZVRI-SWLSCSKDSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(SC)cc1 715795229 CCUMXOGHSKFUBH-CZUORRHYSA-N 263.450 4.661 30 10 CJEE C=CC[C@H](C)Cc1cc(Cl)ccc1Br 715811867 FCZCZTIUXUFJND-VIFPVBQESA-N 273.601 4.857 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1NCCCCC(C)(C)C#N 717531217 XMIJCOMHJDCGFQ-LSDHHAIUSA-N 264.457 4.511 30 10 CJEE C#CCCCCC[C@](O)(CC)CC1CCCCC1 720971644 YMKWTZRXXKEBGP-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE N#Cc1ccc(COC2CCCCCCC2)c(Cl)c1 721073451 UFGGRYYJUBDIRJ-UHFFFAOYSA-N 277.795 4.841 30 10 CJEE CCCCCCCCCN[C@@H](C1CC1)[C@@H]1CCCOC1 723986105 HSPMAFHKSRUJPW-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE C=C1CCC(C[C@@H](O)C[C@H](C)CC(C)(C)C)CC1 724553496 SHKJYSZWBZCBFA-HOCLYGCPSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)CCCC[C@H]2C)CC1 724554130 TZAKTNMNXGLZGH-SJLPKXTDSA-N 263.469 4.929 30 10 CJEE Cc1ccc(NN=C2CCCC[C@H]2c2ccccc2)nc1 727259874 MHSAGBQSGSSWIM-INIZCTEOSA-N 279.387 4.516 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(C)c(OCCC(C)C)c1 1126309914 CKNORZQBJCKPBD-UHFFFAOYSA-N 289.419 4.571 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1Cl 1128183430 QWAXIQZKLPFLKY-UHFFFAOYSA-N 295.810 4.668 30 10 CJEE C=CC[C@@H](C)N1CCc2c(-c3ccccc3)cccc21 1168980522 JZJJYVXVHIVTGP-OAHLLOKOSA-N 263.384 4.681 30 10 CJEE C=CC[C@H](C)N1CCC(Cc2ccccc2Cl)CC1 1175436517 KZIBMFXOYSNDMV-AWEZNQCLSA-N 277.839 4.559 30 10 CJEE C=CCCC1(CNCc2nccc3c2CCCC3)CCCC1 1179142151 AYFITODUTNIUEW-UHFFFAOYSA-N 298.474 4.577 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2ccc(C(C)C)cc2)C1 1195464451 UMFYHHJXOJYYPS-DLBZAZTESA-N 269.432 4.606 30 10 CJEE C=C(C)CCN[C@@H]1CCCC[C@@H](c2ccccc2)C1 1202504918 LKTWGGXUEBNSHT-QZTJIDSGSA-N 257.421 4.659 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CC)[C@@H]1CCCCO1 1308840530 OAGUBBCQGZQXJU-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCCCNC(=O)N1[C@H]2CCC[C@H]1CC2 1312802031 DWBJEUBFYMIAHJ-IRXDYDNUSA-N 292.467 4.630 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)cc2C)CCCC1 1350888680 COQOSBAERPPJJN-UHFFFAOYSA-N 278.779 4.690 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc(OCCCCC)cc1 1352355624 PQYOVPMRHREAGW-SFHVURJKSA-N 290.403 4.763 30 10 CJEE C=C(C)COc1cccc(NC(=O)CC2(C)CCCC2)c1 1352552380 IWZCTMUNEFNRJI-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1cccc(C)c1)CC(C)C 1358264519 AEBAJKLQSSOJTO-KRWDZBQOSA-N 287.447 4.582 30 10 CJEE C=CCOc1ccc(OC(=O)CC2(C)CCCCC2)cc1 1435309871 WEDZMWMJWTZVQZ-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](CC(C)(C)C)c1ccccc1 1464180829 LVEIXOLVCZMQGY-QGZVFWFLSA-N 287.447 4.882 30 10 CJEE CC(C)c1cccc(Oc2snc(Cl)c2C#N)c1 1472635282 FQAOHTHQWOIPFP-UHFFFAOYSA-N 278.764 4.584 30 10 CJEE CO[C@H](CSc1ccc(C#N)c(C)c1)C1CCCCC1 1473049361 WHROXLVAWYBRNI-QGZVFWFLSA-N 289.444 4.554 30 10 CJEE CCCCCCCCCN(C)Cc1cc(C)ccn1 1473119994 CVCGPVQIKHJMHI-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCC(C)(C)c2ccccc2)C1 1473955513 FIKXUWFKKLHQGA-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE C=CCC1(CNCc2cc3ccccc3o2)CCCC1 1474144853 DXZGBYMDIFEGBK-UHFFFAOYSA-N 269.388 4.659 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC(C=C)CC1 1478752663 SUMUFDUITDQISL-UHFFFAOYSA-N 292.467 4.511 30 10 CJEE C=C1CCC(C(=O)NC[C@@H](C)CCCCCCC)CC1 1526300128 WZMDFOGGLYOCDT-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CC[C@@H](C(=O)N(C)c1ccc(C)c(C)c1)c1ccccc1 1528936669 NQUQWDWRTCJQKB-LJQANCHMSA-N 293.410 4.626 30 10 CJEE C=C[C@@H](OC(=O)Cc1c(C)cc(C)cc1C)c1ccccc1 1532386560 BIZRTLZFHXZWNX-LJQANCHMSA-N 294.394 4.625 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)C(CC)CC 1538139617 RFOUOTWYLFCADA-AWEZNQCLSA-N 273.420 4.816 30 10 CJEE C=CCC1(CNC(=O)CCCC2CCCCC2)CCCC1 1540084405 CIQAHQKTSQMWCV-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CCC)CC(C)C 1586140586 ZAOYADBWZFETBH-BRWVUGGUSA-N 279.468 4.700 30 10 CJEE C=CCC[C@@H](C)Nc1cc(N(C)C)cc(C(F)(F)F)c1 1621535707 CAYKWYGUSZPEFT-LLVKDONJSA-N 286.341 4.538 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2ccccc2)cc1 1622706541 OMNRRXLBPHPULF-SFHVURJKSA-N 292.382 4.536 30 10 CJEE C=CCCCCCN(CC)[C@H](C)c1ccc(C#N)cc1 1641564778 CWAVARRCUREZAF-MRXNPFEDSA-N 270.420 4.688 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2c(C#N)cccc2C#N)CC1 1650975141 CTUCZPMMAGOTIJ-SJORKVTESA-N 295.430 4.837 30 10 CJEE C=CCCC1(CN[C@@H]2CCC[C@H](C)[C@@H]2C)CCCC1 1652814727 SJUCQFLYFIFTKI-YESZJQIVSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 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4.603 30 10 CJEE C=CC[C@@](C)(C[C@H]1CC[C@H](CCC)CC1)OCCCN 2293948935 OLLRIQUQPSTPPG-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@]1(OCCCN)CC[C@H](C)[C@@H]1C(C)C 2294427279 HSXNPWAVLLNGRP-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1=CCCCCC1 2294486744 AACJYPKDOVKEFW-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C#Cc1ccc2[nH]cc(C(=O)C(CCC)CCC)c2c1 2295162642 SVHJKDPMXQGECA-UHFFFAOYSA-N 267.372 4.548 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)C(C(C)C)C(C)C 2295203432 VANKLHXLKWQVEF-QGZVFWFLSA-N 291.866 4.598 30 10 CJEE CCCCCCCC[C@H](N)CC1(COC)CC(F)(F)C1 2295562400 MYOMLUBBZGNHRS-AWEZNQCLSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@H](CC(C)C)O1 2295675244 ZJEYCUHSEASAMH-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@H](C)[C@](C#N)(NC)C1 2295709748 CYHACLBAQOOFLO-NXOAAHMSSA-N 296.524 4.606 30 10 CJEE CCCCCCSC[C@@](C#N)(CC1(C)CC1)NC1CC1 2295766544 ODCCJPKJGQZTML-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=C(C)CC=C(C(C)(C)OC[C@H]1CO1)[Si](C)(CC)CC 2297532245 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ZDALTHQMZQGEGC-BZNIZROVSA-N 263.812 4.690 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1CC[C@H](C)CC1)NCCC 2321117627 OXNDOCRFAUHHEW-LUKYLMHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(C(F)F)c1 2321177409 PAILYXYERHMASZ-OAHLLOKOSA-N 252.304 4.799 30 10 CJEE C=CCC(C)(C)[C@H](O)CC[C@H]1CCCCC12CC2 2321228428 MGKLBEJUMGGHNW-HUUCEWRRSA-N 250.426 4.700 30 10 CJEE C[C@H]1CC(=O)C=C(Cc2cc(F)c(Cl)cc2Cl)C1 2325183900 KSVWICYIIAUKSO-MRVPVSSYSA-N 287.161 4.600 30 10 CJEE C#CC[C@H](C)CN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327871615 CZGFARVVSBBZNR-JQWIXIFHSA-N 284.230 4.612 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccccc1)C(=O)O 2328557887 PZGUGQNYLOIMOR-MRXNPFEDSA-N 280.433 4.983 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NCCC 2334658167 ZKRBHZNBDBZFNO-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@H](C)NCc1ccc(F)cc1C1CC1 2339165358 CHRFLRWUIZYABA-ZDUSSCGKSA-N 261.384 4.538 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(F)c(C)c2Cl)C1 2339183352 NUZIOKIQIAVECC-WBMJQRKESA-N 282.786 4.725 30 10 CJEE C=C(C)C[C@H](N)c1ccc2oc3ccccc3c2c1 2341926387 LHJADEUKFALVGW-HNNXBMFYSA-N 251.329 4.552 30 10 CJEE C=CCC[C@@H](Cc1cccc(C(C)C)c1)NCCC 2343775208 FQHYPURMVCLQPV-SFHVURJKSA-N 259.437 4.687 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CC[C@H]1C(F)(F)F)NCCC 2344336780 LPIAWGIORCAJHQ-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]12CCCC[C@H]1CC2)NCC 2344339095 GDSVYOCQGXUFOS-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(C2CCC2)cc1 2344340241 PQCQXZKFPFFMTO-KRWDZBQOSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(F)c1)NCC 2344346456 SSJATBSZLPQWQD-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1cccc(F)c1Cl)NC 2344354806 CHXXFBLDTXDVBM-HOCLYGCPSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)NC 2344382733 YPVCPMZLWZEFSR-PNKHAZJDSA-N 263.469 4.783 30 10 CJEE Cc1csc(CN(C)C[C@@](C)(CS)C(C)(C)C)c1C 2352101306 WHXNWYVZCVWEKL-INIZCTEOSA-N 299.549 4.779 30 10 CJEE CSc1cc(Oc2ccccc2SC)ccc1C#N 2353823559 CELZBJMBCQCMAU-UHFFFAOYSA-N 287.409 4.794 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(C#N)c(SC)c1 2353829998 IBZZLYXTNOHEME-CQSZACIVSA-N 275.417 4.794 30 10 CJEE CSc1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)ccc1C#N 2353830449 LFGSDLKFQQQINI-LALPHHSUSA-N 274.433 4.517 30 10 CJEE CCCCCC#CC[C@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137705 WEAATTRZVLFNEH-VJANTYMQSA-N 275.480 4.894 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@H](C)CC)c(OC)c1 2360367110 VDICLOCDKRCRQC-ZIAGYGMSSA-N 293.476 4.640 30 10 CJEE C=CC[C@H](C)Sc1cccc(OC)c1CNC(C)(C)C 2360378871 QYKDBEMFQUERER-ZDUSSCGKSA-N 293.476 4.640 30 10 CJEE CC[C@H](Nc1cccc(C#N)c1)c1ccc(Cl)cc1 20016822 RFYZDFBERXLHSE-INIZCTEOSA-N 270.763 4.775 30 10 CJEE N#Cc1ccccc1CN(Cc1ccccc1)c1ccccc1 31945819 GQDKFZLWTFPUBZ-UHFFFAOYSA-N 298.389 4.765 30 10 CJEE C#Cc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 36719771 FDECSADLWYHCJI-ZTFGCOKTSA-N 255.405 4.541 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]3CCCC[C@@H]32)C1 36826935 LAMIDBSEJLYUNV-IEWDOMPSSA-N 288.479 4.750 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154472 BKUSSSRRUUQCPS-IJEWVQPXSA-N 259.418 4.806 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1ccc(Cl)cc1Cl 37938968 GJPLQYWXIXQARW-CQSZACIVSA-N 295.144 4.809 30 10 CJEE Cc1c(Cl)ccc2c(Nc3ccccc3C#N)ccnc12 40358948 BIZBYFKKLZAXAN-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)cc1C 50429581 HHVMOLSKNYCRLE-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Nc1ccccc1Oc1ccccc1 54823170 VYWMRUDVPKJHHQ-HOCLYGCPSA-N 278.355 4.583 30 10 CJEE CC(C)c1ccccc1N[C@@H](CC#N)c1ccccc1 55015196 GAYQIPCDDHXTHC-KRWDZBQOSA-N 264.372 4.877 30 10 CJEE CCc1cccc(OCC[C@@H](C#N)c2ccc(C)cc2)c1 57684899 QRMDPZNVIJMERU-SFHVURJKSA-N 279.383 4.634 30 10 CJEE Cc1cccc(OCCCC[C@H](C#N)c2ccc(F)cc2)c1 57685566 HJCKEZKQAUGUHK-QGZVFWFLSA-N 297.373 4.991 30 10 CJEE CCc1cc([C@H](C#N)Cc2cc(C)ccc2C)ccc1OC 57760095 WWRMIFASPOQQKX-IBGZPJMESA-N 293.410 4.724 30 10 CJEE CCCCCCCOC[C@H](N)c1ccc(C(C)(C)C)cc1 59083363 XWYYEUMQFWAWKH-SFHVURJKSA-N 291.479 4.971 30 10 CJEE CCCCCCCC(=O)CC(=O)c1cc2ccccc2o1 59207873 BKZBLHKQGJRASY-UHFFFAOYSA-N 286.371 4.935 30 10 CJEE Oc1ccc(Cl)cc1/C=N\c1cccc2ccccc12 59464838 YTZBKBGTQSXUAY-ODLFYWEKSA-N 281.742 4.949 30 10 CJEE CC(C)(C)n1nc(-c2ccccc2)c2c1CCC[C@@H]2CC#N 82825823 AXDSJKVKJJVTNV-CQSZACIVSA-N 293.414 4.639 30 10 CJEE CC(C)C1CC(C#N)(c2c(Cl)cccc2Cl)C1 86557818 LGRYXXXFVPSIRG-UHFFFAOYSA-N 268.187 4.821 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@H]1CCCC[C@@H]1C#N 91479333 DPTUXSVHZJYLRM-YPMHNXCESA-N 282.309 4.508 30 10 CJEE C[C@@H]1CCC[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91875772 QBVMWSLEXVRBIP-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](O)(C2(C#N)CCC(C(C)C)CC2)C1 91885957 XGJTUNGZQPWJJX-CPFNUKBASA-N 277.452 4.674 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H](CC)C1 94579121 URCKOQOSNVALSJ-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE CCCCN(CC1(CS)CCCC1)c1ccccc1 94581686 KIQUBRFBPDQEKH-UHFFFAOYSA-N 277.477 4.783 30 10 CJEE SCCCCCCSc1nc2ccccc2s1 94588980 DUDRFPUNSNQGKA-UHFFFAOYSA-N 283.487 4.879 30 10 CJEE Cc1cc(C)cc(CSC[C@H](CS)C(C)C)c1 94721425 ONFSDOMQQABXNF-HNNXBMFYSA-N 268.491 4.739 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(F)cc1 103951463 KZTHUZGPFOENMV-INIZCTEOSA-N 251.389 4.966 30 10 CJEE CCCCCCCO[C@@]1(CNC2CC2)CCC[C@H](C)C1 110067923 NTUCHYQZPCLGMZ-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1cc(C)ccc1C 110083883 MUQRTDQZQLZZQV-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCCCCCCC(=O)Cc1ccccc1Br 111817097 QWXRDAPFIAVOIB-UHFFFAOYSA-N 297.236 4.921 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 112311603 AKIVHJGMUMASBH-VYDXJSESSA-N 266.425 4.654 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(F)cc1 112889764 CAHXMJYYADAVCK-QGZVFWFLSA-N 265.416 4.836 30 10 CJEE CCCCCCCCCCCCN1CCCN[C@H](C)C1 114077071 DPIRBSSVXRAQIL-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCN1C[C@@H]([C@@H](C)CC)NCC1(CC)CC 115239054 SLGNDSLYIFPLOO-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCC/C(=N\N)NC1CCCC1 115861942 UZBXLDAHSFKEKO-UHFFFAOYSA-N 281.488 4.712 30 10 CJEE CCCCCCCCCn1ccc(C(=O)C2CC2)c1 118247650 PKGZQHPUHJCZTN-UHFFFAOYSA-N 261.409 4.831 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)cc1 123441344 NOCITVWQVMPQJU-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@]1(O)CCCS[C@@H]1C 124711278 JAIBEFBVCJCRPA-CABCVRRESA-N 258.471 4.774 30 10 CJEE CCCCCCC[C@H](O)c1ccc(Cl)c(OC)c1 125168108 FVVHDMCCKMSZNZ-AWEZNQCLSA-N 270.800 4.743 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CSCCS1 125168701 PMADGXCEGMRUQM-CABCVRRESA-N 289.554 4.564 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(Br)c(C)c1 125679129 MXWOPLZAHNRYPK-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCn1nc(CC)c([C@H](C)O)c1CC 131218901 SOFHSMDXBZZJIZ-HNNXBMFYSA-N 294.483 4.812 30 10 CJEE N#CC1(C[C@@H]2Cc3ccccc3O2)CCCCCCC1 156745905 OKDHDUTVXCZXOJ-INIZCTEOSA-N 269.388 4.634 30 10 CJEE Cc1ccc2c(c1)C[C@@H](CC1(C#N)CCCCCCC1)O2 156749030 HCHCQJJHIIYXDG-KRWDZBQOSA-N 283.415 4.943 30 10 CJEE CCCCCCC[C@H](NC)c1c(C)oc(C)c1C 158120072 GDAYXAFQIURKDL-HNNXBMFYSA-N 251.414 4.826 30 10 CJEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccccc2)c1 160225500 FXXJVXSVRVQFHT-UHFFFAOYSA-N 482.536 5.006 30 10 CJEE CCCCCCCCn1c(S)nc2cc(Cl)cnc21 161085934 LRXXSORILUUVCU-UHFFFAOYSA-N 297.855 4.734 30 10 CJEE CCCCCCC[C@@H](N)Cc1cc(Cl)ccc1OC 161964782 NGVMEKXGFXBYOB-OAHLLOKOSA-N 283.843 4.579 30 10 CJEE N#C[C@]1(CC2CCCCC2)CCc2ccccc2C1 203554923 IGLOVCUYJQPPAU-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CCCCCCCCNc1ccnc2c(N)cccc12 213963903 VDNGECWVGBBGGC-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CCC(C)C)C2CC2)C1 222802196 WOEVCQQYQCECMN-NUJGCVRESA-N 276.468 4.605 30 10 CJEE CCCC[C@H](CCC)N[C@@H](C)c1cccc(C#N)c1 225978035 LBHDFXJJASVJST-YOEHRIQHSA-N 258.409 4.568 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccccc1C(F)(F)F 229736633 RVEJILCZCKPJMX-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(F)c(C(F)(F)F)c1 229756625 OGFLNMDESBSHKS-CQSZACIVSA-N 289.316 4.851 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(OC(C)C)c1 232686991 NTHPKWFUDBJCMQ-QGZVFWFLSA-N 262.393 4.644 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1sc(C)nc1C 232948424 BFFCOIGNDYVDGR-OAHLLOKOSA-N 297.512 4.795 30 10 CJEE CCCCCCC[C@H](N)c1c(C)cc(F)cc1C 232960283 ZMKOLNBCGIHVOI-HNNXBMFYSA-N 251.389 4.803 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2cccc3ccccc23)CC1 235378349 NVCMLRZLFOGJDV-AWEZNQCLSA-N 264.368 4.698 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@H]1[C@H](C)CC 250812439 HWVYWEFMIVROHS-QRVBRYPASA-N 296.543 4.691 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@H]2CC[C@H]1O2 250827121 OGQQUXOTYZBCIO-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CCCCCCCCCCCCN1C[C@H](CC)NC[C@H]1C 250835546 UTBFJIKNBHXLMA-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCOc1ccc(C=Nc2ccc3sc(C)nc3c2)cc1 254827338 RNQSSMRFDYTFFR-UHFFFAOYSA-N 296.395 4.754 30 10 CJEE C[C@@H](C#N)c1ccc(C2CCCC2)c(Br)c1 260535405 NNRQVWMXUVAGPX-JTQLQIEISA-N 278.193 4.734 30 10 CJEE N#CC[C@H](c1ccc(SCC2CC2)cc1)C1CC1 260821368 IWIUFYRITZBOKF-INIZCTEOSA-N 257.402 4.596 30 10 CJEE C=CCCCCC[C@H]1CC(C)(C)CC[C@H]1CNC 300257711 QFSSYFSHZMZDOV-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCO[C@H]2C)C1 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C=C(C)C[C@@]1(CNC(C)(C)C)CCC[C@H](CC)C1 318170642 UGBDWRMWJUVVJA-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCC1CCC(C#N)(c2ccc(C(C)(C)C)cn2)CC1 380398723 PWAVTVAFQPEVQW-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCCCCCCN[C@H]1CCC(C)(C)C[C@@H]1C 380628110 OYXIHXSMWHOISR-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CC(C)(C)c1ccc([C@@]2(C)CC[C@@](C)(CC#N)O2)cc1 383779039 SWBFSMJVVTYSTG-ZWKOTPCHSA-N 271.404 4.682 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cnc(Cl)cc1Cl 384892451 UIZNNDDNTAWXCU-YGRLFVJLSA-N 283.202 4.651 30 10 CJEE C=CC(C)(C)CNc1nc(Cl)c(Cl)cc1Cl 384940637 JXQLYTFQXVSELZ-UHFFFAOYSA-N 279.598 4.666 30 10 CJEE C=C(COCCC)[C@H](CCCCCCCCC)NC 387661996 NLAGWUUOAXKZIB-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/CC(C)(C)C(C)(C)C)N1 393502296 ZCCODMVCHDIHGZ-GFCCVEGCSA-N 284.513 4.556 30 10 CJEE N#CCc1cc(C(F)F)c(Cl)c2ccsc12 396196568 XTNNBLMWMSNGCS-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)[C@H]2CCCC[C@H]2CC)C1 401934130 DLXMXNZNPLWBDU-SFFUCWETSA-N 277.452 4.674 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2227291645 SQAIVTULSIJMFT-UHFFFAOYSA-N 261.409 4.942 30 10 CJEE CCCCCCCCCO[C@](C)(C(=O)O)C(C)(C)C 2231045637 VWJBMPDTGMOFLS-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)CCCOC1 2231482659 FQXMFMHFGAENGZ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@](C)(CCO)[C@H](N)CCCC 2231906231 JTXMASFWZCZLBH-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)CC[C@H]1CCCCO1 2231906291 JZTNPDXEOCFTLG-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](C)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2231923507 BOFOEVMNWSEWOT-WOYTXXSLSA-N 263.469 4.760 30 10 CJEE CCCCCCCC[C@H](C)Nc1cn(C)nc1CC 2231925674 OKFPGMMXJAMPOX-AWEZNQCLSA-N 265.445 4.534 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](C)c1nccs1 2231945101 BXAJECINPHRJCW-GJZGRUSLSA-N 282.497 4.975 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCO[C@@H](C)C1 2231947082 VNPNTPKANMEYBA-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(C)c(C)cc1C 2233783102 SHMWEDQIEAJXMJ-GOSISDBHSA-N 271.448 4.702 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@@H](SCCCCC2CC2)C1 2235464717 PBWZNVWLHBMRHZ-SJORKVTESA-N 294.508 4.504 30 10 CJEE C=CCCCCCCCOc1ccc([N+](=O)[O-])c(F)c1 2235522835 YNMHCNYUBRICCE-UHFFFAOYSA-N 281.327 4.639 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@H](N)C1CCCCC1 2235528936 OVXPIHIFTBLXCI-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CC[C@H]1CC(C)C 2235536270 UMHVYSORLIHZMW-FUHWJXTLSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC[C@H](NN)C12CCCC1CCC2 2235540130 UBJKWIWAVGPGAB-ADKAHSJRSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCCC[C@H]1CC 2235542040 NYYPGWUFMXRJIV-AEFFLSMTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCN1CCc2ccccc2CC1 2235542174 POFTWAYQSIWWAY-UHFFFAOYSA-N 271.448 4.614 30 10 CJEE Cc1sc([C@@H](O)C(=O)C2=CCCCCCC2)c(C)c1C 2236832355 FVCWZRVSLNTYBC-INIZCTEOSA-N 292.444 4.556 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@@]2(C#N)CCC[C@@H](C)C2)c1 2237904847 MCXSHEIZHZTYMO-DQYPLSBCSA-N 291.822 4.576 30 10 CJEE C=CC1(CN(C)[C@@H]2CCC23CCC(F)(F)CC3)CCC1 2238028805 WRZIOHUYLURTID-CQSZACIVSA-N 283.406 4.633 30 10 CJEE CN[C@H](C#Cc1ccc(Cl)cc1)C[C@@H](C)CC(C)(C)C 2239457854 WPZMOAFMBNNYFB-RHSMWYFYSA-N 291.866 4.742 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C)C[C@@H](NCCC)C1 2239503128 PUVJLNOZJYQKKZ-BSDSXHPESA-N 281.484 4.695 30 10 CJEE CCCCCCCCCOc1nc(Cl)ccc1C(=O)O 2239525441 MDQBTQPFNNZGPE-UHFFFAOYSA-N 299.798 4.563 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)CC(C)(C)C 2240561440 WLNYSAAUVYIPQX-SFHVURJKSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc2c(c1)OCC2 2240612831 QBFCHNKPBKCOLT-GOSISDBHSA-N 275.436 4.546 30 10 CJEE CCCCCCCC[C@](C)(O)[C@]1(CN)CCCC1(C)C 2240619621 JXAPJEOYPXTVNT-ROUUACIJSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)C1(C(=O)O)CCCCC1 2240620756 YFJZUMPLRCMELE-MRXNPFEDSA-N 284.440 4.523 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1cscc1C 2240647317 FXECVPHTHIRJAO-DLBZAZTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@]1(C)[C@H](NCC)CCN1CCC 2240667088 SMCYMKKOVIECPT-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1csc(C)c1 2240667651 YJPBJHAVQGJZDG-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE CC1CC(CS)(COc2cc(Cl)cc(Cl)c2)C1 2246835509 LONLXAKOCUWIJT-UHFFFAOYSA-N 291.243 4.718 30 10 CJEE CCCC(CS)(CCC)CSCCCCOC 2250251536 CCTUJPOYPKWTKG-UHFFFAOYSA-N 278.527 4.663 30 10 CJEE C=C(C)CCCC[C@H]1CC(C)(C)CC[C@@H]1NCC 2259212974 RXNOAEOVTPSHQW-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1cc(F)cc(Cl)c1 2259241345 KXJNXZHMEWYKGP-OAHLLOKOSA-N 270.775 4.823 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C(F)(F)F)s1 2263440258 OLUIXLVWAZSQGD-SNVBAGLBSA-N 277.355 4.774 30 10 CJEE CCCC[C@@H](CC)CSc1ccc(C#N)c(C)n1 2263780109 NPMHBMUYHQOFFC-CYBMUJFWSA-N 262.422 4.570 30 10 CJEE CCC[C@@H](Nc1c(F)cccc1C#N)c1cccs1 2265759607 VTQITDODSKSLET-CYBMUJFWSA-N 274.364 4.712 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1CCCCCCC1 2268741251 GCIFAWPWYMFXTB-UHFFFAOYSA-N 260.421 4.912 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC(C)(C)C 2268756930 KJMCUGFZAMHRLK-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CC(C)(C)C#CC=CCC[C@@H](O)c1cccc(Cl)c1 2268787192 STINOVYOZMSHCR-MRXNPFEDSA-N 276.807 4.759 30 10 CJEE CCCCCCC[C@](C)(N)c1nccc2sccc12 2268859310 NJPUYIGSYYWEPW-INIZCTEOSA-N 276.449 4.831 30 10 CJEE CCc1ccc(C#N)c(OCCCCCC(C)C)c1 2269402529 IYDXMGASBMDJDW-UHFFFAOYSA-N 259.393 4.716 30 10 CJEE N#C[C@H]1CCCCC[C@H]1SCC1CC(C(F)(F)F)C1 2271700461 CPIICIQRZAASHD-POOIEITISA-N 291.382 4.781 30 10 CJEE C=C(C)CCCCC(=O)C1C2CC3CC(C2)CC1C3 2271750282 LTNUNLCNUHDJAB-UHFFFAOYSA-N 260.421 4.764 30 10 CJEE C[C@](O)(C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2273895696 OQLPRMHZGBHIKZ-INIZCTEOSA-N 297.225 4.785 30 10 CJEE CCCC(CCC)[C@H](CC#CC1CCCC1)NCC 2274120749 FXWPEJCOOGAQPS-SFHVURJKSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCC[C@@](C)(CCCC)OCCN 2276064462 QYTQVEGKJSQKJI-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCC[C@@](CC)(C[C@H](C)CC)OCCCN 2276503238 JJGDWIYROSKKAA-SJORKVTESA-N 269.473 4.683 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc(Cl)c(C)cc1OC 2277990427 KLHKAMAYZWHJJA-IAQYHMDHSA-N 281.827 4.520 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cccnc1F 2278172626 AIKJNSUHSWJTFY-INIZCTEOSA-N 267.388 4.569 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@H]1CCCO1 2278232344 DAACHIUPTJOJCI-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CCCO1 2278241999 XYBKPJJASQNNBH-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C(C)CCCC[C@H](NC)c1nc(C(F)(F)F)cs1 2278603963 VKSQVQGLOYBNJK-JTQLQIEISA-N 292.370 4.559 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2scnc2c1 2278610858 ISFLBXVBQYJSGC-CQSZACIVSA-N 274.433 4.693 30 10 CJEE Cc1cc(NCc2cc(F)ccc2Cl)cc(C)c1C#N 2280554312 BVIFRXACQFLRLJ-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(C)ccc2Cl)C1 2283363980 GIMPGPQPBOCMGL-XOKHGSTOSA-N 291.822 4.792 30 10 CJEE CN[C@H](CCC=CC#CC(C)(C)C)c1ccccc1C 2284073001 KYDNYCWUSAQEBC-GOSISDBHSA-N 269.432 4.641 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(F)c(F)c1 2287073779 YGTGMILXMAQXOZ-INIZCTEOSA-N 299.430 4.705 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCOC)CCC[C@@H](C)C1 2287373574 WXENWCZGDIFMMM-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ncoc1C(C)(C)C 2287466906 JTGDXTUFDPFCCJ-AWEZNQCLSA-N 278.440 4.759 30 10 CJEE C=CCCCCCCCCN(C[C@H](C)O)CC(C)(C)C 2287983557 BGYAHJYUJHQFDV-KRWDZBQOSA-N 283.500 4.632 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1cc(C)oc1C 2289858801 FTPANJUHMGFPLA-GOSISDBHSA-N 273.420 4.521 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C(C)C 2292655730 OCYVMRBCMBDQEU-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1occc1C 2293454554 JOBLBLIYSFPOOZ-INIZCTEOSA-N 281.440 4.745 30 10 CJEE C=CCCCCC[C@@H](OCCN)[C@@H](C)C1CCCCC1 2294032904 NSTFHWOOCJCMAL-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)[C@H]1CCCC[C@@H]1CC 2294042427 QBEREIHOVALTLX-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C([C@]1(OCCCN)CCCCC[C@@H]1CC)[Si](C)(C)C 2294324627 MSRGFSXIXTZRAV-DLBZAZTESA-N 297.559 4.515 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)c(F)c1)NCCC 2295297209 UOYMSYZLLCHHLU-SUMWQHHRSA-N 297.845 4.992 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cnn(C(F)F)c1 2295596024 GNQWDSZQXIMXMW-OAHLLOKOSA-N 287.398 4.593 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1 2297332210 LPRBBVARHHTUBA-UHFFFAOYSA-N 288.346 4.750 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cccc(C)c1Br 2301063052 OTFIFRHNLDUCJJ-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1c(Cl)cc(C)cc1Cl 2307611885 QIVALDFPQDYFDS-YGRLFVJLSA-N 272.219 4.904 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CCC2(F)F)CC1 2313734190 WLLUHWKXNMWMND-ROKHWSDSSA-N 255.352 4.922 30 10 CJEE CCCCC#CCNc1cc(C2CC2)ccc1Cl 2316232227 BPXBZRBARQVVCD-UHFFFAOYSA-N 261.796 4.823 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(C(C)(C)C)s1 2316710229 TZDQLTJFYHHCGF-UHFFFAOYSA-N 262.418 4.997 30 10 CJEE Cc1c([C@H]2C[C@@]2(C=O)C(F)(F)F)ccc(Cl)c1Cl 2318096634 KDAICNMPFFGFSH-KCJUWKMLSA-N 297.103 4.537 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC(C)(C)[C@@H]1C 2318186044 YIPSUIGHLYIWSH-TZMCWYRMSA-N 261.434 4.811 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C)cc1SC 2319571248 IFCTWPYJDZKHEK-CQSZACIVSA-N 283.868 4.900 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C(C)C 2327158101 NWFLFTQYFNOPFL-HNNXBMFYSA-N 272.454 4.746 30 10 CJEE O=C[C@@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCCC12CCC2 2330442646 GILZVUCKUDMEJG-DFGXFYAUSA-N 260.421 4.742 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 2333166663 OYQMHEZSRTVYIJ-JFIYKMOQSA-N 264.453 4.784 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)C1CCCC1 2335095661 DOMKIWUFHSMWRY-KRWDZBQOSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC(C)(C)[C@@H]1NC 2335207687 VFHBFEIRHJUDTE-HZPDHXFCSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCC(F)(F)C1 2338742186 UDVDUYPQKCBMFL-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE CCCCCCCCCCN1CC=C(C(F)(F)F)C1 2340389184 NZPUOIDMMSRPHC-UHFFFAOYSA-N 277.374 4.931 30 10 CJEE CCCCCCC[C@@H](NC)c1csc(C(C)(C)F)n1 2342042127 DLCYDRRRYJDVAO-GFCCVEGCSA-N 286.460 4.969 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343215483 MJPIGLIBHIWDQM-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(F)c(Cl)c1F 2344354704 BHLRUZQBVWDCHW-HUUCEWRRSA-N 287.781 4.871 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NC 2344370892 GBVVZUACFHYUJI-OBVSXPTNSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1[C@H](C)C1(F)F)NCCC 2344374156 GLTQEQKPBKHZAE-AJNGGQMLSA-N 273.411 4.638 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cccc(C2CCCC2)c1 2344381509 VNFCDAVYMOYEHD-QGZVFWFLSA-N 257.421 4.946 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCC[C@@H]1C1CCC1 2352101899 WYVDJCHMWSIEIT-WBVHZDCISA-N 283.525 4.623 30 10 CJEE C[C@@H](N(C)C[C@@](C)(CS)C(C)(C)C)C1(C)CCCC1 2352303228 FRIWZATZMHYOOK-PBHICJAKSA-N 285.541 4.869 30 10 CJEE CCCCCC#CCNc1cccc(C(C)C)c1F 2352912251 CZECXAVRAITTGD-UHFFFAOYSA-N 261.384 4.945 30 10 CJEE C#CCCCCCCCOc1cc(Cl)c(N)cc1C 2353125826 LBHGZAUYYJVTQX-UHFFFAOYSA-N 279.811 4.583 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]2C2CCCCC2)NCCC)C1 2357768959 FMDBVYYLBPTWAE-YTQUADARSA-N 275.480 4.927 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358285901 BEDOLQKCYRZSRT-JONQDZQNSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)Sc1cc(CN[C@@H](C)CC)ccn1 2360378009 YFEHPUHOPRUNHA-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE C=C1S/C(=N/c2ccc(F)c(C)c2)NC1(CC)CC 1037988 QLYYYERGGQUVIJ-UHFFFAOYSA-N 278.396 4.531 30 10 CJEE Cc1cc(OCc2ccc(C#N)cc2F)ccc1C(C)C 21804559 QKJWMNUSUSCXHM-UHFFFAOYSA-N 283.346 4.708 30 10 CJEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](n2cnc3ccccc32)C1 37147487 HUHFUASCMVHHKI-JKIFEVAISA-N 281.403 4.563 30 10 CJEE CSc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)cc1 37935973 WDAREDGRQDDLIT-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2ccccc2Cl)C1 71125205 WNHDEVJAZTWNAG-WFASDCNBSA-N 262.784 4.614 30 10 CJEE N#C[C@]1([C@@H]2C=CC=CC2)CC2=CCC(C(F)(F)F)=C[C@H]2C1 75933646 UXQSYWKNCIVURX-LZWOXQAQSA-N 291.316 4.857 30 10 CJEE CCCOc1ccc(-c2cc(C#N)c(C(C)C)o2)cc1 77079469 ASEWQIXSRYNWCD-UHFFFAOYSA-N 269.344 4.730 30 10 CJEE CC1(C)CCC[C@](C#N)(Nc2ccccc2Cl)C1 79980811 MKELSHBAQZSCOY-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE SCC1(COc2cc(Cl)c(Cl)cc2Cl)CC1 87078891 IZKYTUHXUSFQQR-UHFFFAOYSA-N 297.634 4.736 30 10 CJEE CCCCCCC[C@H](C)N(CC)[C@@H]1CCCC[C@@H]1CN 91323714 NXNDPEYGKXRDDP-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE Cc1ccc([C@](C)(O)C2(C#N)CCC(C)(C)CC2)cc1C 91878604 KXXHTTJSAXDQIG-SFHVURJKSA-N 285.431 4.621 30 10 CJEE C=C(C)[C@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547306 JCBHHXZXAXDINX-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE C=CCCC[C@@H](CSc1cccc(F)c1)NCCC 97323464 YDFUGVCPBQHLGR-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE C/C(=C/C(=O)c1ccc(Cl)cc1)N[C@@H](C)c1ccccc1 101496408 HAJSLTNDRFNNBT-DINCDJDBSA-N 299.801 4.777 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@@H]1N 103990137 NDDYQUCXNKHZSV-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCOc1c(C[C@@H](C)CS)cc(Cl)cc1C(C)C 107632493 IWLRTPXSDSODMJ-LLVKDONJSA-N 286.868 4.971 30 10 CJEE CCCCCCCCCC(=O)Nc1ccccc1[C@H](C)O 109107304 SAQKRRRFTOYOLZ-HNNXBMFYSA-N 291.435 4.819 30 10 CJEE CCCCCCCO[C@H](CNCC)c1cccc(Cl)c1 110067847 PNWBCTGYHIMBFF-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCCCCCCO[C@@H](C)[C@H](NC)c1ccc(C)cc1 110081470 TVCQZQRFWIUIGK-WMZOPIPTSA-N 277.452 4.631 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C[C@H](C)C(C)(C)C)cc1C 111650656 GLMOPJNNIKAMIZ-HOCLYGCPSA-N 271.404 4.552 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(F)cc1F 112887882 JANGXIFTVQSQCP-HNNXBMFYSA-N 256.336 4.749 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@@]1(C)CC 114067649 YXPINWLOLFNUPK-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1C(C)(C)C 115241045 SXKAKUDBGPHCSV-IEBWSBKVSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc([C@@H](C)O)cc1 115858883 UIGHVSHKQAYQBC-OAHLLOKOSA-N 291.435 4.819 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1nc2ccccc2o1 117691245 QNMUOYGVBQGOHX-OAHLLOKOSA-N 289.419 4.872 30 10 CJEE CCCCCCCC[C@H](O)C1(N(C)C)CCC(C)CC1 118182263 PJJDNFYKJLCIGZ-ADKAHSJRSA-N 283.500 4.608 30 10 CJEE CCCCCCCC[C@@H](CN)c1cccc(F)c1 118854756 ZYYNXTBTNPNQFI-HNNXBMFYSA-N 251.389 4.619 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1[C@@H](C)O 122132092 ICDAZDRBOZPSOA-OAHLLOKOSA-N 294.435 4.878 30 10 CJEE C=CC[C@H](NCCC)c1ccc(Cl)cc1Cl 122348243 YZFWHGAAHZBBPV-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC(=O)c1c(Cl)cnn1CCC 124398837 HFPZKSDGOCWZMG-UHFFFAOYSA-N 284.831 4.880 30 10 CJEE C=CCCCCCCCCOc1ccccc1C(=O)O 138820244 KWBQQKZWZKMVPE-UHFFFAOYSA-N 276.376 4.680 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(C(F)(F)F)cn1 139560211 ZEFXAOVZJAYNKV-CYBMUJFWSA-N 288.357 4.721 30 10 CJEE CCCCCCCCCCCC[C@H]1CCCNC1=O 143854406 YNGWCDYYBQFMFU-INIZCTEOSA-N 267.457 4.824 30 10 CJEE CC[C@@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)CC1 156823754 FHMBJUAFNWXUHL-SJLPKXTDSA-N 277.452 4.962 30 10 CJEE C=CCC[C@@H](NCc1sc(C)nc1C)c1ccccc1 158820252 NCUAGVSWESMWJQ-MRXNPFEDSA-N 286.444 4.557 30 10 CJEE N#CC1([C@@H](O)C2CCCCCC2)CCCCCCC1 159007043 WXBIFFODIXDUQI-INIZCTEOSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCOc1c(F)cccc1C=O 159497394 VIWPVQAISDDNPJ-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCNc1c(F)c(F)c(F)c(F)c1F 160625962 MMVIMVVAVCLGCP-UHFFFAOYSA-N 281.268 4.764 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@](C)(CC)OC 163479919 WFLSYSABQJXDPR-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@H](N)C(CC)(CC)OC 164427954 JDQRSSGNORGRSR-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCCCCn1cnc(Cl)cc1=O 164722329 ITUQLFBXHFPNMI-UHFFFAOYSA-N 298.858 4.818 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 185658666 MAFTWDLWCFWJLB-SJLPKXTDSA-N 285.431 4.651 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C 185863501 GZNGWTXPIIEGEZ-FUHWJXTLSA-N 285.431 4.569 30 10 CJEE C=CCCC[C@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 219527778 SXTPRVLWPFGDNC-IXDOHACOSA-N 263.469 4.927 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2nc3ccccc3s2)C1 228475260 BGMBLZDLEPWAMZ-SUMWQHHRSA-N 284.428 4.949 30 10 CJEE C=CCC[C@@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C 228819981 BUQKEDAPADCGTJ-CJNGLKHVSA-N 265.828 4.981 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(Cl)ccc2F)C1 231191034 WOOGXRVBSVQWIJ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCCC[C@](CN)(CO)C1CC1 232918929 MAPCWQXMMBTKJH-SFHVURJKSA-N 283.500 4.645 30 10 CJEE C=CCCCCC[C@H](CCc1ccccn1)NCCC 233163463 CAQCFVMDFRBGQR-QGZVFWFLSA-N 274.452 4.519 30 10 CJEE C=CCCCCC[C@H](NN)c1cc2ccccc2s1 236247093 KVJWGTZXMYVBSC-AWEZNQCLSA-N 274.433 4.542 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 236536177 FALQGFWHFNOIBH-MCIONIFRSA-N 278.358 4.853 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@]1(C)CC 250795168 AOURPEQFEJAPOT-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C[C@@H](CCS)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251273436 YBGKUBUVHHTLKC-IXYNUQLISA-N 270.482 4.564 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2C[C@H](C)C[C@@H](C)C2)C1 252436885 RZXOMIUUZVYLFR-DUQPFJRNSA-N 290.495 4.709 30 10 CJEE Brc1ccc(N=C/C=C\c2ccccc2)cc1 254737996 YUMLRORLYJORNJ-WENYHIJHSA-N 286.172 4.865 30 10 CJEE c1ccc(N=C(Oc2ccccc2)c2ccccc2)cc1 254789477 TYLYJDCHOAMDJM-UHFFFAOYSA-N 273.335 4.844 30 10 CJEE N#Cc1oc2ccccc2c1OCc1sccc1Cl 311943849 GUDSJZDBHGMVGM-UHFFFAOYSA-N 289.743 4.598 30 10 CJEE Cc1c(F)cc(C#N)cc1NCC1CCCCCCC1 312162400 NJZRVDQOHWEJDL-UHFFFAOYSA-N 274.383 4.778 30 10 CJEE CC[C@@H](Nc1ccc(CC#N)cc1)c1cccc(C)c1 312482290 UKFBYSOYGRKVGQ-GOSISDBHSA-N 264.372 4.624 30 10 CJEE CC(C)(C)SCCC1(C=O)CCCCCCC1 316830781 HBVPRNHOWCSDHO-UHFFFAOYSA-N 256.455 4.838 30 10 CJEE C#CCCCC1(CNCC(C)C)CCCCCCC1 318368069 ZWHJCYXZJQTRIA-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CCCCCCC[C@]1(CNCCOC)CCC[C@@H](C)C1 318602379 HKJLJWOMUJUNCX-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cnc(C)n1C 380268259 WFAAQEOTBUTWOZ-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE C=CC(C)(C)CN[C@@H](CCC)c1ccc(Cl)cc1 384759702 ACOROAOTIHWWSN-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE Cc1cc(C)c(C[C@@]2(C#N)CCCC[C@H]2C)c(C)c1 384872553 PCFWVFMLIBRHKT-SJLPKXTDSA-N 255.405 4.874 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C1(O)CC(C)(C)CC(C)(C)C1 385152732 KIIIQEPWIPYXRW-WMLDXEAASA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cocc1C 385528284 UHHYNZRHLGSANB-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE CC(C)(C)CCC[C@]1(C#N)CCc2ccccc2C1 387620346 NCUMBLSAEFKARL-SFHVURJKSA-N 255.405 4.902 30 10 CJEE C=C([C@H](NCCC)c1ccccc1SC)C(F)(F)F 388280755 QNVGWNRDQVDYND-ZDUSSCGKSA-N 289.366 4.568 30 10 CJEE CC[C@@H]1CC[C@@H](CNC2CC2)[C@@H](CC#CC(C)(C)C)C1 394460552 QVCNQYXCJFCUBB-IKGGRYGDSA-N 275.480 4.621 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@@H]2C)C1 395058788 YTGIXRGLZMOYPS-WNRNVDISSA-N 277.452 4.674 30 10 CJEE CCCc1ccccc1NC[C@H](C#N)C1CCCCC1 397073219 ABSCDKUWGOCVAX-KRWDZBQOSA-N 270.420 4.771 30 10 CJEE C=C[C@@H](C)ON[C@H](C)c1ccc(Cl)c(Cl)c1Cl 400946464 VUODQPPIMBULIK-HTQZYQBOSA-N 294.609 4.804 30 10 CJEE C=CCCCC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 456426857 QRMSTFWIUCFYAD-INIZCTEOSA-N 291.822 4.750 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccccc1Cl 686683158 VNVVVCZCGYLWPS-INIZCTEOSA-N 263.812 4.574 30 10 CJEE CC[C@H](CC(F)F)C[C@@]1(C=O)CCCc2ccccc21 688768876 XGFQFSKBZNOVOM-CXAGYDPISA-N 280.358 4.531 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@H](CCN)C(C)C 696223948 VTTURYVDTQXSKD-MSOLQXFVSA-N 285.516 4.889 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](C)CNCC 696316111 CLEMGCUGBHUDLP-QZTJIDSGSA-N 285.516 4.904 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cnc(Cl)n1C 696430709 UFFXLIOVWTURKU-CQSZACIVSA-N 299.890 4.865 30 10 CJEE CC(C)CCC[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 703987219 NSJLVEQMKOTDQN-UPTPFMHGSA-N 279.468 4.920 30 10 CJEE C=CCCC(C)(C)CN[C@@H](c1ccccc1)C(C)C 704047488 QKGBIFWJSGXFHN-QGZVFWFLSA-N 259.437 4.966 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(C)(C)C 705247813 UQYDEOGEDYYOGQ-YGRLFVJLSA-N 284.230 4.692 30 10 CJEE C=CC(C)(C)CCNc1cc(Cl)c(Cl)cc1N 706437992 HBCPJDOKKQXBKL-UHFFFAOYSA-N 273.207 4.590 30 10 CJEE CCCCCCCC[C@H](Cc1sc(C)nc1C)NC 707912024 CANIJKQOLYSSBU-OAHLLOKOSA-N 282.497 4.641 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 710615082 FMZHCCHLELOOII-BNOWGMLFSA-N 257.849 4.570 30 10 CJEE C=C([C@H](C[C@@H](CC)C(C)(C)C)NCCC)C(F)(F)F 711211144 AMYDIULMLBEXJF-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE CCCCCCC[C@]1(C)[C@H](NCCC)CCN1C(C)C 712191000 ITFAHJHDCUQADQ-QZTJIDSGSA-N 282.516 4.588 30 10 CJEE CCCCCCCCCCNCC1CC2(CSC2)C1 717879994 QZQHMYGREQOBBZ-UHFFFAOYSA-N 283.525 4.860 30 10 CJEE Cc1cc(C)c(CNc2ccc(Cl)c(C#N)c2)s1 719445682 AKCDYIADFLUWMA-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE C[C@H](Oc1ccc(C#N)cc1Cl)C1CCCCC1 719753064 CWRZJTBZHOEGLJ-NSHDSACASA-N 263.768 4.559 30 10 CJEE C[C@H](Oc1cccc(Cl)c1C#N)C1CCCCC1 719753165 FKQWNLONKGLIGR-NSHDSACASA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@@H](C[C@@H](COC)C(C)C)NCC 721723592 GPSUFEJBZUGHDM-IRXDYDNUSA-N 271.489 4.634 30 10 CJEE CCCCCCCCCN[C@@H](CC)[C@@H]1CCCOC1 723965775 QIPNMOFXDRNWHY-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)cc2F)CC1 724547708 UBTCUWZQJRLNIB-HNNXBMFYSA-N 268.759 4.649 30 10 CJEE C=C1CCC(CC(=O)c2cccc3ncccc23)CC1 724589176 ARUFEMIBCBYYHQ-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CC1CCCCC1 1136466693 BMDNHBYFVKGXEQ-NVXWUHKLSA-N 277.452 4.550 30 10 CJEE C=C[C@H](C(=O)N1CCC(C)(CC(C)C)CC1)c1ccccc1 1141751207 IEFLINPRUWLCNC-SFHVURJKSA-N 299.458 4.631 30 10 CJEE C=CCN(Cc1cccs1)Cc1ccc(CCC)s1 1180505146 HRGLJWIVKLZCSG-UHFFFAOYSA-N 291.485 4.950 30 10 CJEE C=CCN(Cc1cc(Cl)cs1)c1ccccc1 1180970396 RLONSKJFWGTMOP-UHFFFAOYSA-N 263.793 4.594 30 10 CJEE C=C[C@H]1CCCCN1C/C=C/c1c(C)cc(C)cc1C 1205583823 WAIAQLZWQJZLPU-LNENJAERSA-N 269.432 4.666 30 10 CJEE N#CCc1ccc(-c2ccccc2C(F)(F)F)cc1F 1239545159 MUYBLDNOHSOJDJ-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCCC[C@@H]1[C@H](C)CC 1248434642 HLDLKQBJMKKNIX-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE C=CCC[C@@H](NCc1ccc(C)c(C#N)c1)c1ccccc1 1307626707 MNAXKUDWAUVBIM-HXUWFJFHSA-N 290.410 4.664 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)C1CCC(F)CC1 1308880421 IETLNEQLDRYXNZ-FXQLRMTLSA-N 255.421 4.628 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@H](C)CC[C@H]1C 1312802752 ODGGLEZIIQFUMJ-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=CCC1(C(=O)Nc2cccc(Cl)c2C)CCCC1 1349819940 LWLLQQSPKDMFNP-UHFFFAOYSA-N 277.795 4.723 30 10 CJEE C#CCCCCCC(=O)Oc1ccccc1[C@@H](C)CC 1351464963 XPQLMTYLYMNKSK-HNNXBMFYSA-N 272.388 4.689 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)[C@@H](CC)c1ccccc1 1353444653 RFYNLILSCUNGKN-WMZOPIPTSA-N 287.447 4.979 30 10 CJEE C=CCCCCCN[C@@H](CC)c1ccc(C)c(F)c1 1459866826 XNUYEBOVNWBARY-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=CCC1(CNC(=O)[C@@H](C)CC2CCCCC2)CCCC1 1460028624 ZFXRXDVOVGIIMT-INIZCTEOSA-N 291.479 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282.516 4.719 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](NCC)CCN1CC 2295678361 HQQRFRDBFGPZDQ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCSCC[C@@H]1CCC[C@@]1(C#N)NCCC 2295761766 QNVDGWTWPHRTSN-IRXDYDNUSA-N 296.524 4.752 30 10 CJEE C=CC[C@H](C)Sc1ccccc1CNC(C)(C)C 2313694820 IKSGDGOBEDFLGX-ZDUSSCGKSA-N 263.450 4.631 30 10 CJEE CC1CCC(CSc2c(F)cccc2C#N)CC1 2313835722 IDYSVAPYBJNUHZ-UHFFFAOYSA-N 263.381 4.616 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NC 2321144330 HIVWQGMZWBYLSA-KFWWJZLASA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@H]1CCC[C@@H](C)C1 2321231167 CYHWIDLPRPOMAG-VQHPVUNQSA-N 252.442 4.946 30 10 CJEE C=C[C@H](C)C[C@@H](CC[C@H]1CCC(C)(C)C1)NCC 2321602135 FELKBCKVXUEBBI-HRCADAONSA-N 251.458 4.783 30 10 CJEE Cc1c(Cl)cccc1OCC1(CS)CC(C)(C)C1 2321753360 SNONUWRJZMVUCN-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE CC(C)(C)C#CC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2325184622 SEMWOZUOSDPRIB-CYBMUJFWSA-N 289.177 4.606 30 10 CJEE CO[C@H](CSC[C@@H](CS)CC(C)C)CC(C)(C)C 2328529411 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10 CJEE C#CC[C@H](CC(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 2340795266 ZNAFXCQVBSBFFJ-SNVBAGLBSA-N 299.172 4.755 30 10 CJEE Cc1cc(C#N)ccc1NCCCC1=CCCCC1 2340964877 UVYHPVLGVDQTQE-UHFFFAOYSA-N 254.377 4.559 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CC[C@@H]1C(C)(C)C)C(F)(F)F 2343363198 MWMAURFNKLYPKG-OBJOEFQTSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NC 2344340354 QTQPSAJLLQALLY-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC 2344350155 ZGXZNOVCQYBDBQ-TXTZMMAHSA-N 261.453 4.559 30 10 CJEE O=C[C@]1(CCC2(C(F)(F)F)CC2)CCCC12CCC2 2344788151 FWBIMJBRPKGTNY-CQSZACIVSA-N 274.326 4.649 30 10 CJEE C=C1C[C@H]1[C@H](NC)c1ccc(CCCCCC)cc1 2353090092 GRGCQPMGFSLTLT-QZTJIDSGSA-N 257.421 4.646 30 10 CJEE CC(C)C[C@@H](CS)CN(CC(C)C)C1CCCCC1 2353835737 NVQWUTJFOBAEPK-MRXNPFEDSA-N 285.541 4.869 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1CCC[C@@H]2C[C@@H]21 2358323619 RUFSROGFRCNTQC-ZJPYXAASSA-N 278.484 4.561 30 10 CJEE CC(C)c1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 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NXZKYYVZQJVFQJ-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(C)(C)CC2)C1 94859617 WPHQFZVYYGBMMH-SOLBZPMBSA-N 290.495 4.996 30 10 CJEE CCCc1ccc(Nc2ccc(C#N)cc2Cl)cc1 104009845 HPCWMOOSBRWHQQ-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)c(OC)c(Cl)c1 107536864 JENICUIOVNNNSI-VIFPVBQESA-N 257.160 4.519 30 10 CJEE CCCCCCCCNCc1ccc(F)c(Cl)c1 109954202 HRAWITYCXANTFG-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE CCCCCCCCO[C@@H](c1ccc(F)cc1)[C@@H](C)N 109988690 JTMDCAOODWRDPA-RHSMWYFYSA-N 281.415 4.591 30 10 CJEE CC(C)(C)C1CCC(C#N)(NC2CCCCCC2)CC1 110029405 MLINGANHGCPUON-UHFFFAOYSA-N 276.468 4.797 30 10 CJEE CCCCCCCCCCCCNCc1ccnc(C)n1 110164700 LLZAXPUSBGYTCG-UHFFFAOYSA-N 291.483 4.796 30 10 CJEE CCCCCCCCCOc1cccc2c1CC[C@H]2O 110369890 WGXYKCXIYRUFDH-QGZVFWFLSA-N 276.420 4.796 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CCCO1 114994202 APOQVUIFTCDDKO-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1cc(C)cc(F)c1 118135061 DSMMRMMMXNBHBU-KRWDZBQOSA-N 281.415 4.658 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(C)c1F 122255462 DETHCTLTPGMVMU-MRXNPFEDSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1nccn1C 122620076 LTVQXAPPBVFYKZ-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](OCC)C1CC1 123185721 IBRCMOHCBOZJBH-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](NN)C1C[C@@H](C)C[C@H](C)C1 123399987 JMPZNKULRTZQFO-ZOBUZTSGSA-N 268.489 4.641 30 10 CJEE Cc1cc(SCc2ccc(Cl)cc2)c(C#N)c(C)n1 123693606 WSYSEEXZSUWETK-UHFFFAOYSA-N 288.803 4.516 30 10 CJEE CCCCCCCCCCNC1=N[C@@H](C(C)C)CS1 124890534 GMIWSDYQOVFABB-OAHLLOKOSA-N 284.513 4.844 30 10 CJEE CC[C@H]1CCCCCN1c1ccc(C(F)(F)F)cc1C#N 124968121 LKPOJPYCQIRSDY-AWEZNQCLSA-N 296.336 4.736 30 10 CJEE C=CCOc1cccc(CNc2cccc(C(F)F)c2)c1 128547599 SBABMXFPJZINDE-UHFFFAOYSA-N 289.325 4.801 30 10 CJEE CCSc1cccc(N(C)[C@@H]2CCC[C@H](C)C2)c1C#N 136637056 NVNLTNFTJKRFIN-UONOGXRCSA-N 288.460 4.685 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1Cc2ccccc2S1 140263838 YXCFWYQVJPMIOI-NVXWUHKLSA-N 277.477 4.781 30 10 CJEE CCCCCCCCNc1ccc2ncccc2c1N 159131590 DHYDPFCSZQJEBN-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCCC(=O)c1cc(N)ccc1Br 159703196 LCIPOAVYSLCIRQ-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cc(F)cc(Cl)c2)CC1 161410568 RJDXPWRIFLMXQF-CQSZACIVSA-N 295.785 4.623 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@@H](C#N)c1cccc2ccccc12 219586414 WMRBYYCTIYMTDO-CCKFTAQKSA-N 278.399 4.573 30 10 CJEE CCCCCCCCCC[C@H](O)C1(OC)CCCC1 228196906 XQSFWBQIOYKWCR-INIZCTEOSA-N 270.457 4.837 30 10 CJEE C=C(CC)C[C@@H](Cc1cc(C)ccc1C)NCCC 229756633 ILWHRBXAQZJQRQ-SFHVURJKSA-N 259.437 4.570 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C)c(Cl)c1 229758341 RBOFDFYVBYTQMO-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=C(CNC(C)(C)C)CSc1ccc(C(C)C)cc1 231565594 QLZMBIRYAYEHRU-UHFFFAOYSA-N 277.477 4.846 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CC1CCCC1 232970654 ZEOYZBDIHZIINO-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c2ccccc12 235591130 VBBJHDPFIQBHFR-GUYCJALGSA-N 264.372 4.702 30 10 CJEE C=CCCCCCOc1ccc(CNC2CC2)cc1Cl 236046820 UXGGOFSTFQXNNX-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)c(F)c1F 236212142 IQRWAMHSQQHHRY-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE O=C(Cc1ccc2ccccc2c1)C1=CCCCCC1 236390944 BECVBYRXIDZUEW-UHFFFAOYSA-N 264.368 4.842 30 10 CJEE C[C@@](C#N)(Cc1cccs1)c1ccc(C2CC2)cc1 259499482 JGEOQYHBSBLSEO-KRWDZBQOSA-N 267.397 4.649 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1F 307928133 PTQAFBJLUWWOCO-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CSc1cccc(N[C@@]2(C)CCCC[C@H]2C)c1C#N 308728694 PCRJDDDRMFCKEE-WBMJQRKESA-N 274.433 4.661 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)Cc1cccc(Cl)c1 312235974 NBOQVKNLPGOHEF-KRWDZBQOSA-N 291.866 4.690 30 10 CJEE C=C([C@@H](NCC)c1cc2cc(C)ccc2o1)C(F)(F)F 312466987 BJKYYGJMODXRKH-CQSZACIVSA-N 283.293 4.510 30 10 CJEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(C)c1 312767847 LJDYKWYPFXDUKF-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE N#Cc1cc(Cl)nc(N[C@H]2CCCC23CCCCC3)c1 313072321 KUBYOEHZPYLAAQ-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE 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CC1=CC[C@](C)(Nc2cc(Cl)c(F)cc2C#N)CC1 2229015670 AHLUNICAXVWOEU-HNNXBMFYSA-N 278.758 4.652 30 10 CJEE CCCCCCCCC[C@H](N)c1nc(C)ccc1F 2229643487 OBPHWSBJNCCAEE-HNNXBMFYSA-N 266.404 4.670 30 10 CJEE C#CCCCCCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2229822300 XLUBOUWPJNRJKM-SJORKVTESA-N 263.469 4.717 30 10 CJEE C=CCOCc1cc2sc(CN[C@H](C)CC)cc2s1 2230199711 PXXCCRGZJNMHOR-LLVKDONJSA-N 295.473 4.554 30 10 CJEE C=CC1(NC[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 2230644245 KUBGDGZCIGSUPL-ZACQAIPSSA-N 261.453 4.681 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](C)CNCCC 2230993799 UJUATURUQVPXKU-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H](C)CC)NC 2231923163 JXNPBYWHECZKDV-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](O)c1ccsc1 2231930381 VPTUQFRCZZTEOG-HOCLYGCPSA-N 283.481 4.510 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1C[C@]12CC2(F)F 2231930747 XSOGIXRRDQCHRS-ZNMIVQPWSA-N 273.411 4.760 30 10 CJEE CC1=CC(=O)[C@H](CC2C[C@@H]3CCC[C@H](C2)C3(F)F)CC1 2233593918 LZQQPOMQKTXWIY-WIGRTHMWSA-N 282.374 4.764 30 10 CJEE C=CC[C@@H](CNCC)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233682709 CACQUKLTYHFEIZ-FPCVCCKLSA-N 285.422 4.640 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1cc(C)ncc1C#N 2234437035 GYBCFPPZWSMAEW-KRWDZBQOSA-N 274.408 4.636 30 10 CJEE C=CCCCCCCCOc1cc(F)ccc1[C@H](C)N 2235520822 DCAIDTYAVKYMJX-AWEZNQCLSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(C)c(C)c1 2235523319 DRUKLZDTHQPGEV-GOSISDBHSA-N 274.452 4.725 30 10 CJEE C=CCCCCCCC[C@H](NN)C1[C@H]2CCCCC[C@H]12 2235527653 XLIXKJVWZVYPSG-ULQDDVLXSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)c1csc(C)c1 2235531535 AASFCHUBDQQLSA-KRWDZBQOSA-N 294.460 4.750 30 10 CJEE C=CCCCCCCC[C@@H](Cc1cccc(Cl)c1)NN 2235539237 NZZKVRJAWWMBIQ-KRWDZBQOSA-N 294.870 4.631 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@H]1CC[C@@H]1C)NCC 2236241761 FIXIZDRIDCDGBN-MHORFTMASA-N 283.500 4.512 30 10 CJEE CC(C)(C)C#CCCNC1CCC2(CCCCC2)CC1 2239118450 OTBDJWQBEUIBPI-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C[C@H]1C[C@](C=O)(CCCCCCCC2CC2)C[C@@H](C)O1 2239313784 CSRAMKLSTLLDES-VQFNDLOPSA-N 280.452 4.900 30 10 CJEE CCCCCCCCCOC[C@@H](NC)[C@@H]1CCC1(C)C 2239445314 HBITUDXLTNIRKK-DLBZAZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@H](O)C#Cc1ccc(CC)cc1 2239621900 GREGPFHORKKZAM-IBGZPJMESA-N 272.432 4.712 30 10 CJEE CCCCCCCC[C@](C)(OCC1CCCC1)C(=O)O 2240617572 GWISUSHMGDBAQD-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@@]1(C)[C@@H](NCCC)CCN1CC 2240640419 PZGXYPJELNIGNF-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](C)Nc1cnccc1N(C)C 2240643416 XNXVWVZGNHPRPR-HNNXBMFYSA-N 277.456 4.699 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CCC[C@@H]1C[C@@H]1C 2240644691 MABFKCFMOROFHZ-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ncoc1CCC 2240658348 REAUDZRJWBSXPC-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2OCC[C@H]2C1 2240666045 JKUMWZILCMTPKR-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccc(Br)c(F)c1 2250024772 FFSSAOUBGPXHSU-NHCYSSNCSA-N 298.199 4.878 30 10 CJEE C=CCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2250058583 BOVRABJXMOIIOC-MELADBBJSA-N 251.439 4.650 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1scc(Cl)c1Cl 2250142974 USUFSAVKFFHRRL-SNVBAGLBSA-N 293.263 4.696 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(Cl)c1F 2250145415 LQGDOBHCQRZQKC-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE CC1CC2(C1)CC(S[C@H](C)CC(C)(C)C#N)C2 2251084168 VCHHGDOGRSSTLY-LXGJZCORSA-N 251.439 4.627 30 10 CJEE C[C@@H]1CC[C@@H](COCC2(CS)CCCCCC2)C1 2255980089 BWGLLHIGYLCXNQ-HUUCEWRRSA-N 270.482 4.710 30 10 CJEE CSc1cccc(SCC2CC(C)(C)C2)c1C#N 2256469489 CPPQJXUXBDTKRB-UHFFFAOYSA-N 277.458 4.808 30 10 CJEE C[C@H]1CC[C@H](CSCc2ccc(C#N)cc2Cl)C1 2256633148 IWSPJVNCAWZSEL-AAEUAGOBSA-N 279.836 4.881 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(Cl)cc(F)c1F 2259232605 CZSVEDDFQRIICH-ZDUSSCGKSA-N 273.754 4.755 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(C)(C)[C@@H](NCC)C1 2259235764 SZPAELPTASKETM-CVEARBPZSA-N 251.458 4.927 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1c(Cl)cccc1Cl 2261118774 WSWZFEDJPWVCTH-AWEZNQCLSA-N 282.214 4.577 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1CC(F)C1 2263712160 MPYWSHLZOICBKB-QQFBHYJXSA-N 257.437 4.853 30 10 CJEE C[C@](C=O)(CC[C@H]1CCCC12CC2)c1ccccc1 2266732003 ZNAXBBFSCIGTAZ-IAGOWNOFSA-N 256.389 4.504 30 10 CJEE C=CC1(CNCc2cc(C)ccc2Cl)CCCCC1 2268133129 UXOZINGUFGRMKG-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE C[C@H]1C[C@H]1CCCCOCc1ccc(C#N)cc1Cl 2268750832 PXHYTCRZEZKXGU-GXTWGEPZSA-N 277.795 4.555 30 10 CJEE CC1(CSC[C@@H](C#N)C2CCC2)CC(C(F)(F)F)C1 2271717118 OSTPLXSTPRCZLN-PNESKVBLSA-N 291.382 4.638 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(O)CC#CC1CCCC1 2274165163 RXUBGAARUJDSAB-ROUUACIJSA-N 262.437 4.538 30 10 CJEE C=CCCCCCC[C@@H](CC(C)(C)CC)OCCN 2276149525 BQGXVLFQLUQAAS-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC[C@H]1C)OCCN 2276266848 UBILAHMYJNVLGC-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@H](C)CC 2276671237 VCQJEBSMGNWYHX-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCCCCCC)OCCN 2276787473 KKRHNOYFODEPOO-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CCC[C@H]1C 2277127078 DHOUCICXUNOGLK-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1CCCCC12CC2)NC 2279524440 NVKLNFFHEULSJA-MSOLQXFVSA-N 269.432 4.648 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@H]1CCC1(C)C)NC 2280962896 IKPMYPPNGYKLRV-RYRKJORJSA-N 283.500 4.512 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](CCC)c1ccc(OC)cc1 2283568305 LYPVJPRQIJPMEK-CRAIPNDOSA-N 275.436 4.871 30 10 CJEE CC(C)[C@@H]1CCC[C@H]1CN(C)CC=CC#CC(C)(C)C 2284183980 ZORVUYVQZGOLBY-ROUUACIJSA-N 275.480 4.596 30 10 CJEE CN(CC1(CS)CCCCC1)C[C@]12CCCC[C@@H]1CC2 2289050465 SOVICIPUCVRBRF-SJLPKXTDSA-N 295.536 4.769 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1CCC(C)(C)CC1 2289855409 RVEXRVLCCUABEU-GOSISDBHSA-N 275.480 4.765 30 10 CJEE O=C(CC#CC1CCCC1)c1cccc2ccccc12 2289903341 BIVLXFRRPXWGPT-UHFFFAOYSA-N 262.352 4.606 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(COC)cc1F 2289990125 FOUNWZQXIGWQOP-KRWDZBQOSA-N 281.415 4.723 30 10 CJEE CC(C)CCC(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290189539 CJSHKOKRBROXEA-INIZCTEOSA-N 271.404 4.597 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)CC(C)(C)CCC1(C)C 2290246177 JEPQDAKGSAHIGP-LJQANCHMSA-N 275.480 4.916 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)[C@H]1C[C@H]1C 2290916593 AOORNHHEVPWXHZ-VYDXJSESSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC1(OCC(=O)O)CCCCCCC1 2292509318 QIPJZDJCKWITAQ-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=C(C)C[C@@](C)(OCCCN)C1CCC(CCC)CC1 2293062203 MTBHYOZQYLWXKI-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CC[C@@H]2C[C@H]2C1 2293262803 IJNOARKVMCSCFJ-XDNAFOTISA-N 281.484 4.517 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)C(C(C)C)C(C)C 2293879012 NCVJBCRPXRVXDK-KRWDZBQOSA-N 283.500 4.785 30 10 CJEE CCCCCCC[C@]1(OCCCN)C=CC[C@@H](CC)C1 2294360121 DDMSCKMTQFKNLY-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CN[C@@H](C#Cc1ccccc1Cl)CCC1CCCCC1 2295222916 XSRHXNGXWWCDDN-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@H](C)C(=O)O 2295531429 LFYYEFQXNHGRRL-HOTGVXAUSA-N 285.472 4.558 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccsc1C 2295675563 COGJBWKXKSYFTN-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCC(F)(F)F 2295676253 JCDYJKYRJYSDFM-ZIAGYGMSSA-N 297.405 4.548 30 10 CJEE N#Cc1ccc(C=C(Cl)c2nc3cc(F)ccc3o2)cc1 2298429810 AAQRHPZMCSGBKC-UHFFFAOYSA-N 298.704 4.575 30 10 CJEE C=CCC(CC=C)Nc1cc(C)c(F)cc1Cl 2301051010 PUQYIGHSOLCLRM-UHFFFAOYSA-N 253.748 4.720 30 10 CJEE C=C([C@H](N)c1ccc(Cl)c(Cl)c1C)C(C)(C)C 2301282033 WSWRXEINYMDMLG-ZDUSSCGKSA-N 272.219 4.904 30 10 CJEE CCCC(CS)(CCC)CO[C@H]1CCC[C@@H]2C[C@H]12 2312088845 LXHSUXRFIGDKSF-ILXRZTDVSA-N 270.482 4.708 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCC(F)(F)F)C1 2313555034 OJALQRPSXUCIEC-HBNTYKKESA-N 279.371 4.636 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C[C@@H](N)CC)cc1Cl 2313638426 KSJNOLCWSTYHAM-YPMHNXCESA-N 283.868 4.677 30 10 CJEE C=CCC(CC=C)N[C@H]1C[C@@H](C)Sc2sccc21 2313645626 RGYVTMXOKNEFFP-RISCZKNCSA-N 279.474 4.784 30 10 CJEE CC[C@](C=O)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C(C)C 2316861172 PDXDPYMTJJTSOJ-LUKYLMHMSA-N 250.426 4.844 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CCC(C)(C)C(F)(F)F 2321234787 UTGUFOYGEUIRDS-DGCLKSJQSA-N 266.347 4.708 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1c(C)ccc(Cl)c1F 2321238725 YWWPBKBGRFJHQG-CABCVRRESA-N 270.775 4.813 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H](F)C1)NCC 2327362627 VTZPJLFZWQEDGC-OWCLPIDISA-N 257.437 4.853 30 10 CJEE CC(C)c1ccc(OCCON=C2CCCC[C@H]2C)cc1 2329917749 CPALRAHCKWROBX-OAHLLOKOSA-N 289.419 4.772 30 10 CJEE N#CC1([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCC2(CC2)CC1 2330737185 HZPZZJDRQMTLHI-XQQFMLRXSA-N 265.347 4.532 30 10 CJEE CCCCCCCCN(C)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2332408707 NBADXSFLVMJFHC-ZNMIVQPWSA-N 273.411 4.713 30 10 CJEE C[C@@H](CCS)CCOC[C@@H]1C[C@H]1C1CCCCCC1 2332864935 SNLJHGBTAVYHMI-PVAVHDDUSA-N 284.509 4.956 30 10 CJEE CCCCCCCCCC(=O)[C@H]1OC[C@@H]2CCC[C@H]12 2333528253 ZHRXKVIAXWEHNC-ZOBUZTSGSA-N 266.425 4.511 30 10 CJEE C=CCC(CC=C)SC[C@H](CC1(C)CC1)NCCC 2335098845 OZDIWKISTNOVQI-HNNXBMFYSA-N 281.509 4.799 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1[C@@H](C)NCCC 2335239456 UXGZZHFLUQSVMQ-QWHCGFSZSA-N 281.440 4.943 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2ccc(Cl)cc21 2337067520 MDUARHDLUNDTOX-GXFFZTMASA-N 292.835 4.896 30 10 CJEE CCCCCCCOCCCCCCCNC1CC1 2337926272 UWRCGMFLSJURJS-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@]1(C)CC=C(C)CC1 2338740909 JSJKLLQDHVWCQF-MSOLQXFVSA-N 261.453 4.869 30 10 CJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2339572469 NZRODUPYGCDOIX-ABAIWWIYSA-N 296.241 4.694 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)[C@@H](C)C(C)C 2340260871 DFMPQTFBCLBGHH-RDJZCZTQSA-N 268.441 4.515 30 10 CJEE CC(C)(C)CN(CCC#N)CCCC1=CCCCC1 2341097390 ZRIQDCUZWMXVHA-UHFFFAOYSA-N 262.441 4.529 30 10 CJEE C=CC[C@@H](NCC)[C@@H](c1ccccc1)C1CCCC1 2342353008 FXHHMDOPPXUORE-MSOLQXFVSA-N 257.421 4.515 30 10 CJEE CO[C@@H](CSC[C@H](CS)C(C)(C)C)c1ccccc1 2343477202 AWBADHWANWGEKV-GJZGRUSLSA-N 298.517 4.699 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC2(CCCC2)C1)NCCC 2344380187 KLSZTCYCBJJZSX-WBVHZDCISA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CCCCCOC(C)(C)C 2344457543 PBVVDKGFCZHDDO-RDJZCZTQSA-N 270.457 4.715 30 10 CJEE C=CCC(C)(C)[C@H](NCC)C12CC(CC(C)C)(C1)C2 2344838211 RXLNYPPHOIREHD-ZLPCBKJTSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@H]1C(C)C 2351996922 OGSWKDSUGWFCFO-GOEBONIOSA-N 282.449 4.520 30 10 CJEE C[C@H]1c2sccc2CCN1C[C@](C)(CS)C(C)(C)C 2352166554 PIJTVBWMPSFULI-BLLLJJGKSA-N 297.533 4.649 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCCCC[C@H]1C(C)C 2352223505 RLOQITUUSROFGK-OFQRWUPVSA-N 284.465 4.744 30 10 CJEE CCCCCCCC[C@@H](O)c1cncc(C(F)F)c1 2353487334 JDZYSDQZIWYGCJ-CQSZACIVSA-N 271.351 4.803 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@]12COC[C@@H]1C2 2354586818 UNSSQCZPRWTSQJ-KSZLIROESA-N 282.468 4.695 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)NCCC)nc1 2360369272 UZWHVWNJIGSYBT-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE C=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 3794635 ZNDIUTIVPDDBNJ-AKHDSKFASA-N 268.400 4.805 30 10 CJEE N#Cc1ccccc1-c1ccc(OCc2ccccc2)cc1 16946935 IQCLUFBXHMWNIF-UHFFFAOYSA-N 285.346 4.804 30 10 CJEE N#Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 35249032 HPRHIDAHVMSRBD-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CC(C)CC(CC(C)C)N[C@H](C)c1ccc(C#N)cc1 36991782 PBHMEYPQFGUIJM-OAHLLOKOSA-N 272.436 4.670 30 10 CJEE CC(C)[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 37302701 DOIPUEYNIIUQMP-CXAGYDPISA-N 284.428 4.668 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccccc2Cl)c(C)c1 37938158 CSPKAZPGINYXCB-MRXNPFEDSA-N 284.790 4.942 30 10 CJEE Cc1ccccc1-c1sc(C#N)c(N)c1-c1ccccc1 44273978 OYAGJQCNZZGNHK-UHFFFAOYSA-N 290.391 4.844 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(F)c(Cl)c1 44813995 VFFNGQITHLXCIL-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE CCCCCCCCCNCc1cccc(F)c1 59055638 DIUOPBVEIBSXBR-UHFFFAOYSA-N 251.389 4.666 30 10 CJEE Fc1ccccc1/C=N/Nc1cc(Cl)ccc1Cl 59154430 CGAXOTNRTMVRQM-CAOOACKPSA-N 283.133 4.579 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(OC)c(OC)cc1C 59384283 OHWLQCPOPHQRPO-MRXNPFEDSA-N 293.451 4.633 30 10 CJEE C=CCc1cc([C@@H](N)CC)ccc1OCCCCCC 66118333 LIKVGZFUUPOUIV-KRWDZBQOSA-N 275.436 4.784 30 10 CJEE C=CCCC[C@H](NCC)C1(c2ccccc2)CCCC1 71277398 XUAGDTZIBJQOFC-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(N2CCCCCC2)CC1 86951986 WLQMLZNTPXYTNC-SJORKVTESA-N 262.441 4.505 30 10 CJEE N#CC1(C[C@H]2CSc3ccccc32)CCCCC1 92297198 RJLJQOPWNOUHNC-ZDUSSCGKSA-N 257.402 4.740 30 10 CJEE CCC(CC)N(CC(C)C)CC1(C=O)CCC(C)CC1 93310124 YLJCQZMQIQMDIY-UHFFFAOYSA-N 281.484 4.528 30 10 CJEE Cc1nn(CCCCCCCCCS)c(C)c1Cl 97799942 GDJPPDHOKBTLOA-UHFFFAOYSA-N 288.888 4.814 30 10 CJEE Cc1ccc(C)c(Sc2ccc(C#N)cc2C)c1 104178547 NGWQCAFUBATYEZ-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE C=C[C@@H](C)Cc1ccc(OCCC)c(OCCC)c1 107569979 JHBCPDXCDQMRGG-CQSZACIVSA-N 262.393 4.629 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1ccccc1Cl 109779899 HYSALQAVKLXXJB-MRXNPFEDSA-N 283.843 4.863 30 10 CJEE CCCCCCCCO[C@H]1CCCCCC[C@H]1NC 110084081 NOKVLUCTWPUAMT-SJORKVTESA-N 269.473 4.674 30 10 CJEE N#Cc1ccc(Oc2ccc3c(c2)CCCC3)cc1Cl 110262918 PRDYVEZXVQSNGV-UHFFFAOYSA-N 283.758 4.883 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CNCC 111610442 KYWAVAGIPLTIGJ-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCOc1ccc(C)nc1CNCC 118330931 AVFIARXKCQACLV-UHFFFAOYSA-N 292.467 4.629 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(C)oc1C 122217021 AAAZIMXAMRAYGG-INIZCTEOSA-N 266.429 4.542 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cncc(C)c1 124414082 LENFKYCIQZYTEN-GOSISDBHSA-N 291.483 4.815 30 10 CJEE CCCCCCCCCCNc1ccnc(Cl)n1 124887270 UDWNHZKRRMHZAN-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1Cc2ccccc2O1 126523030 WYBKCCYPXSSBHE-IEBWSBKVSA-N 289.463 4.719 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 127610439 OJEATLKMUSNINN-ZDUSSCGKSA-N 292.448 4.659 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)O)cc1Cl 130615803 GLUALQHHEZKWTF-GFCCVEGCSA-N 270.800 4.743 30 10 CJEE CCCCCCCC1(O)C2CC3CC(C2)CC1C3 138715982 DBCMTXOZQSNCGR-UHFFFAOYSA-N 250.426 4.534 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(C)nn1CC 139555046 SLYVSIGNNGVPSC-INIZCTEOSA-N 279.472 4.613 30 10 CJEE CCCCCCCCCC[C@H](COC(C)C)NCC 143465975 GLSRVGPELAKBIV-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE N#CC1([C@@H](O)c2ccc(C3CC3)cc2)CCCCCCC1 156836091 YTHFYQIPMBGRKU-SFHVURJKSA-N 283.415 4.852 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1c(C)cc(C)cc1C 158893540 PWGSIMOIAJFCRH-IBGZPJMESA-N 273.464 4.735 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC1CC1 212325691 HENCOHNYHOVSCV-OWCLPIDISA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2CC[C@H]1C2 252822292 QXIDKDWVOUEMKM-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE Clc1cccc(N=C2CCCc3ccccc32)c1 254489473 XLCOWUFEXXHOBS-UHFFFAOYSA-N 255.748 4.797 30 10 CJEE C[C@](C#N)(Cc1ccccc1)c1ccc2c(c1)CCCC2 259720288 XEVDTOULINDCSR-HXUWFJFHSA-N 275.395 4.589 30 10 CJEE CSc1ccc([C@@H](CC#N)C2CC2)cc1SC 260333857 RNQJYFQGSBIQDA-LBPRGKRZSA-N 263.431 4.538 30 10 CJEE N#CC[C@H](c1ccc(C2CCSCC2)cc1)C1CC1 260689273 VTTDYSHJVDIKDY-QGZVFWFLSA-N 271.429 4.704 30 10 CJEE C=CCSc1ccccc1NC(=O)OCc1ccccc1 309979439 UEIWXQREXZJUPF-UHFFFAOYSA-N 299.395 4.713 30 10 CJEE C=CCCCCCCNc1ccc(C(F)F)cn1 310948670 YJYJWBCZPLWUGZ-UHFFFAOYSA-N 254.324 4.568 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@H](C)C(C)(C)C 311445252 WISRCDKNWSQISP-JKSUJKDBSA-N 265.485 4.867 30 10 CJEE C=CCCCCCCNc1ncnc2sc(C)c(C)c12 312388929 FYKCLWPFVYONAN-UHFFFAOYSA-N 289.448 4.857 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2cccc3ccccc23)O1 312465944 WOCIKRKCZZTOHH-QZTJIDSGSA-N 265.356 4.538 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2ccccc2C(F)(F)F)CC1 312466363 ZNMQKPHDGSLAHW-LLVKDONJSA-N 282.305 4.563 30 10 CJEE C=C([C@H](NCCC)c1ccc(C(C)C)cc1)C(F)(F)F 312988381 RVOQVSOXWZQZCL-HNNXBMFYSA-N 285.353 4.969 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H]1C[C@H]2CC[C@H]1C2 314977733 PYQQCMIEJFBMCJ-MWDXBVQZSA-N 252.442 4.924 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1C[C@H]2CC[C@H]1C2 382339484 ZZFMQIRKWJEHCM-HRCADAONSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@@H](CC1(COC)CCC1)NCCC 383316993 RLMGGGWZHPCKDK-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc2ccccc2s1 383517067 GULHHVMFBDLKKP-OAHLLOKOSA-N 285.456 4.992 30 10 CJEE Cc1cc2ccccc2nc1[C@@]1(C#N)CCCC[C@H]1C 384862474 NCOFIOWBYXXUSJ-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE CCCCCCCCC[C@H](N)C1(CO)CCCCCC1 384863080 OUMZYKGCJBYTGG-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE C=CC(C)(C)COCCCCCCCCCS 386689871 SDZUZPSNBBXDCN-UHFFFAOYSA-N 258.471 4.876 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cccc(Cl)c1C 387490948 ZBFJTCRCOWUDNX-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CCCC1CCC(C#N)(CC#Cc2ccccc2)CC1 394394108 BQOIYUNKAAANBZ-UHFFFAOYSA-N 265.400 4.928 30 10 CJEE Fc1ccc(F)c(C(F)F)c1SC(F)(F)F 396092338 AVAVZDSMBIWARX-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@H](CSC2CCCCC2)C1 403251632 GCEJKGVYQVMSOX-RDJZCZTQSA-N 294.508 4.504 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@@H](N)C1(C)C 405297396 PRFXXGQQXJBCBV-ZBFHGGJFSA-N 257.437 4.983 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)c1cccc(F)c1 410370107 ZREGBBLYZMZWGG-AWEZNQCLSA-N 297.373 4.687 30 10 CJEE CC(C)(C)C1CCC(NCC2CCC(C#N)CC2)CC1 441352612 FFMHHGQFOZFQPP-UHFFFAOYSA-N 276.468 4.511 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc(SCC)c1 486328600 TZSKBGDTCKGVDY-UHFFFAOYSA-N 291.460 4.617 30 10 CJEE N#CCc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 514263281 AMNBAFCMWHIEBD-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCCC[S@](=O)Cc1ccc(C)cc1 526851477 ZEQGDOZWABNMGY-IBGZPJMESA-N 280.477 4.994 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2ccc(F)cc2)o1 545197183 MMIOORPDXBIWAZ-LLVKDONJSA-N 292.379 4.713 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@H](OC)C1 686351166 YSBZMNLSWQJEQT-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C#CCCCCCC(=O)c1ccc(Cl)c(Cl)c1 686688507 MWNZJEKYEFJWKR-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(C)c(F)c1 686693762 WYCIFPZBVSTQBL-GOSISDBHSA-N 275.411 4.759 30 10 CJEE N#Cc1ccc(CNc2cccc(F)c2Cl)c(Cl)c1 690263962 JQWHRHUCVVFLHV-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nccc2ccccc12 692233753 DOYFFZVXSZIJFN-DOTOQJQBSA-N 266.388 4.782 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC12CCCCC2 692235381 RMSXVESQHOFYKR-IKGGRYGDSA-N 261.453 4.824 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncnc(Cl)c1CCC 692241332 HVMWRSKPQLQDAU-TZMCWYRMSA-N 293.842 4.629 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCCc1ccccc1 692242631 XGGAIDKLYFNVKS-RTBURBONSA-N 271.448 4.734 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 695032763 QAYDCVFOFJWIQU-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@@H]3CCCC[C@@H]3CS2)CC1 697621688 BVXQJFRNFALBNG-QLFBSQMISA-N 294.508 4.597 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(C(F)F)c1 701205193 XTBVXXQNWVQETI-HNNXBMFYSA-N 284.394 4.879 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@]1(C)CC1(F)F 701608728 SGTPRFDZMQKULP-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C=CCCC(C)(C)CNCc1csc(C(C)(C)C)n1 703987817 GDGXQJMLNWJNCW-UHFFFAOYSA-N 280.481 4.523 30 10 CJEE CC(C)C1CC(C#N)(c2ccc(C(F)(F)F)cc2)C1 708028481 GKLOFZXJPYIYCX-UHFFFAOYSA-N 267.294 4.533 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@H](CCC)C1 708406618 KVLAIHWEGOGIIU-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=C(Cl)C[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 710480520 SQKFHXPVIIZIEO-LHJGCZIBSA-N 281.871 4.714 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C 710615280 GUJXMMCPGYSDNB-UONOGXRCSA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@@H]1CCCCC[C@H]1CNC(C)(C)C 710617453 CKZXQEHRICGRND-KBPBESRZSA-N 257.849 4.714 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CCC(C)(C)CO2)CC1 714100614 FZWDCILKUOCJNF-PQUAAJSLSA-N 280.452 4.613 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC 715789733 WEQXGWVYZYSVHZ-NXOAAHMSSA-N 251.458 4.641 30 10 CJEE C#CCCC[C@@H](NCCC)c1cscc1C(F)F 717191184 GWZMQGHRSHVNPO-CYBMUJFWSA-N 271.376 4.530 30 10 CJEE CCCCCCCCCCNC[C@H](C)[C@H]1CCCO1 720559411 ZMDIUMVGWVVFDI-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H](CC)c2ccccc2)CC1 724556408 OFFCFZRPOBFWQJ-ZWKOTPCHSA-N 258.405 4.678 30 10 CJEE C=C1CCC(CC(=O)c2c(F)cccc2Cl)CC1 724595021 KUKAPBFKQZIBLB-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CCCCC2(C)C)CC1 724616983 KABLFSGNEUVJEH-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE CCc1sc2cccc(SC(F)(F)F)c2c1C#N 725292112 KSERJWAMIWMFGT-UHFFFAOYSA-N 287.331 4.947 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC(C)(C)C[C@@H]1C 821989100 WJSVKYKTJPPORV-HZMVEIRTSA-N 263.469 4.926 30 10 CJEE C=CCC1(C(=O)Nc2cc(F)c(F)cc2F)CCCCC1 1125952371 OFXAQMNLWKOOEP-UHFFFAOYSA-N 297.320 4.569 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@H](CC)C2CCC(C)CC2)C1 1165745317 USBDDHYICHTHEG-JYSRZZCRSA-N 291.479 4.654 30 10 CJEE C=C(Cl)CN1CC[C@H](c2ccccc2)c2ccccc21 1196841998 OSBCFPNEGMIFSV-MRXNPFEDSA-N 283.802 4.781 30 10 CJEE C#Cc1cccc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)c1 1202813827 WPQFSQOJIHHAAE-OALUTQOASA-N 283.459 4.753 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](C)CC(C)C)c1ccccc1 1279070577 TVTIVCNWSMDUFR-GDBMZVCRSA-N 260.377 4.529 30 10 CJEE C=CCCCCSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 1307325788 AXSPZMVSCGSKSE-HIFRSBDPSA-N 293.480 4.786 30 10 CJEE C#CCCCCCCN1CCC[C@H](C(C)(C)C)CC1 1307474783 YLZFYCUZFGKMKN-KRWDZBQOSA-N 263.469 4.718 30 10 CJEE C=C[C@H](CC(=O)Oc1ccc(C)cc1C)c1ccccc1 1349205950 HYPZJQRBPKZAPI-MRXNPFEDSA-N 280.367 4.569 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 1351241554 RXQPSBZEXNWVHX-UHFFFAOYSA-N 281.355 4.630 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCC[C@H]2CC)CCCCC1 1353109220 TWNXLDCTSXQLJZ-HZPDHXFCSA-N 277.452 4.598 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](CC)c1ccc(C)cc1 1435826726 QEOGRLJXXDRAQM-HOCLYGCPSA-N 260.377 4.592 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H]2CCCC[C@H]2CC)CCCC1(C)C 1459684723 XEWSFRGPLXFZRK-IKGGRYGDSA-N 291.479 4.796 30 10 CJEE C=C(C)CCN1Cc2ccccc2C[C@H]1c1ccccc1 1459787848 MOUFMRJSOMFEMA-FQEVSTJZSA-N 277.411 4.752 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)C1 1469927903 WKMIKUYWYQXKPR-IAGOWNOFSA-N 277.452 4.574 30 10 CJEE C=CC[C@H]1N(C[C@H]2CCCC3(CCC3)O2)CCCC1(C)C 1473431487 FIPBXPWWCNLFFF-IAGOWNOFSA-N 291.479 4.545 30 10 CJEE C=CCC1(CNCc2nc(C(C)(C)C)cs2)CCCC1 1474145889 YJZDEUJZVQZUEZ-UHFFFAOYSA-N 292.492 4.667 30 10 CJEE C=C(C)[C@@H](NCCC(C)(C)SC)c1ccc(F)c(F)c1 1474450204 JIPSHRJIVSMVSA-OAHLLOKOSA-N 299.430 4.703 30 10 CJEE C=CCCCCC[C@H](C)NC1CC(C(C)(C)C)C1 1474551693 ZGUUFZPEFVLOBM-FHERZECASA-N 251.458 4.926 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc2c(F)cccc2s1 1520511361 MYVYYSNEDATDNQ-LLVKDONJSA-N 291.391 4.515 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CC[C@@H](c2ccccc2)C1 1560017516 LYKLPFDDXXVBLC-AFYVEPGGSA-N 281.443 4.753 30 10 CJEE C=CCCCC[C@@H](C)NCC1(c2ccccc2F)CCC1 1560914140 BCCMGYZBYNPYKU-MRXNPFEDSA-N 289.438 4.972 30 10 CJEE C=CCCC[C@H](NC(=O)c1oc(C)cc1C)c1ccccc1 1596613322 SABIKEMBLRJFHI-KRWDZBQOSA-N 297.398 4.724 30 10 CJEE C=CCCC[C@@H](NC(=O)C(F)=C1CCC1)c1ccccc1 1598380130 YPBONYWFEPUBJK-MRXNPFEDSA-N 287.378 4.608 30 10 CJEE Cc1cc(C#Cc2cc(Cl)cc(Cl)c2)ccc1F 1614733916 RPTZRKXHMVVRGW-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)SCCCC)c1 1616752404 RSCDASXMYZBANC-CYBMUJFWSA-N 277.433 4.580 30 10 CJEE C#C[C@H](NC[C@@H](C)C1CCCCC1)c1ccc(Cl)cc1 1621368652 PKSZDEXVOTUDLL-KDOFPFPSSA-N 289.850 4.820 30 10 CJEE CO[C@H](CSc1ccc(C)cc1C#N)C1CCCCC1 1644191600 HKJREULIIRFRDD-MRXNPFEDSA-N 289.444 4.554 30 10 CJEE C=C[C@@H](C)NCc1sc2c(Cl)cccc2c1C 1650760453 AFNSXVJYOLQFNB-SECBINFHSA-N 265.809 4.527 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(Cl)cncc1Cl 1655044755 LNAMEMCRSWSFIF-ABAIWWIYSA-N 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269.310 4.759 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)(C)C)CCCSC1 2338729718 IUVLGTIPRVXRNQ-KRWDZBQOSA-N 281.509 4.656 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)C)CCS[C@@H](C)C1 2338743359 DXCKQQMLKGWYCJ-RDJZCZTQSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC 2338748526 YTGFCMKDMKVJPC-KSZLIROESA-N 261.453 4.559 30 10 CJEE C=CCC1(Nc2ccc(C3CC3)c(C)n2)CCCC1 2340650470 DHWFLJUTHGTTMX-UHFFFAOYSA-N 256.393 4.568 30 10 CJEE CCCCCCC[C@H](O)CCCOc1ccccc1 2343332570 SEVRHUZYJYGYNC-INIZCTEOSA-N 264.409 4.567 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC12CCC(CC1)CC2)NC 2344343415 DJCSFYZCYGBJMU-SAGYGOJTSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cc(Cl)ccc1F)NCC 2344380873 SJXUXYIIUSUDLL-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE CC(C)O[C@@H]1CCC[C@H]1[C@]1(C#N)CCCCC1(C)C 2344803937 TUMCWWYYJCYFBS-BFYDXBDKSA-N 263.425 4.690 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@H](C)[C@H](C)C1 2352001173 KQYWERANAXLMLK-WOSRLPQWSA-N 282.449 4.520 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2359661331 DDQSLPKHSOOTQB-WCVJEAGWSA-N 285.422 4.782 30 10 CJEE Cc1cccc(COc2ccc3ccccc3c2C#N)c1 11897273 KJAIFWOGHYFLEW-UHFFFAOYSA-N 273.335 4.599 30 10 CJEE Cc1ccccc1[C@@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@H]21 14478561 PXDXZLZGYUWNSG-POAQFYNOSA-N 286.378 4.693 30 10 CJEE CC(C)c1ccc([C@H](C#N)NC2CCCCCC2)cc1 20174535 IIHHMWWHKDAGOI-SFHVURJKSA-N 270.420 4.687 30 10 CJEE N#CCc1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 37301939 AFMYODDDTQHBLV-SFHVURJKSA-N 296.801 4.969 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cc(Cl)cc(Cl)c1 37937146 RMLGOPHVMNNDMD-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCCNc1cc(OC)c(Cl)cc1OC 59088722 CXANJARRBBZVRV-UHFFFAOYSA-N 285.815 4.740 30 10 CJEE CCCCCCCc1noc(N)c1-c1cccc(F)c1 59100149 ZOGBOBWUCINREQ-UHFFFAOYSA-N 276.355 4.576 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1[N+](=O)[O-] 59456447 YEIUECCTBYPSRI-ZDUSSCGKSA-N 264.369 4.756 30 10 CJEE N#CC[C@H]1CCCC[C@H]1c1cccc(Br)c1 62670616 HOTICVLZAFOWNO-BXUZGUMPSA-N 278.193 4.637 30 10 CJEE Cc1ccccc1-c1nc(-c2cccc(C#N)c2)cs1 62938275 YLGGMYFMDWWYLP-UHFFFAOYSA-N 276.364 4.657 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C1 71108403 FVFWHJZDMPVNRP-WMLDXEAASA-N 270.420 4.868 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(Cl)cc1Cl 85057077 AVHVGHCRCPWVKX-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87930315 ORJZCFKORGEYAG-YJBOKZPZSA-N 285.435 4.651 30 10 CJEE CCCCCCCCCCCCN[C@H](CCC)C(=O)O 88230953 JXCRNYNSCYAMEL-MRXNPFEDSA-N 285.472 4.750 30 10 CJEE CCC[C@@H](CS)COc1ccc2ccccc2c1 94583108 QDKIPZKAOONACW-CYBMUJFWSA-N 260.402 4.565 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CSc2ccccc21 97419671 PBHOLRDAEGINMF-CVEARBPZSA-N 275.461 4.600 30 10 CJEE C[C@@H]1CC[C@@H](C)N(CCCCCCCCCS)C1 97799483 UJGSSFGRGKCTDW-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE Cc1cc(C)c(/C=C\C(=O)/C=C/c2cccs2)c(C)c1 103044181 MBHCIXVITCMMBZ-FFELTBSMSA-N 282.408 4.969 30 10 CJEE CCCCCCCCCN1CCNc2cc(F)c(F)cc21 106594995 QOGKNBUEOZYFLA-UHFFFAOYSA-N 296.405 4.947 30 10 CJEE CCN(CC)c1ccc(Nc2ccc(C#N)c(Cl)c2)cc1 110259212 XFFXIOJOMCGCEB-UHFFFAOYSA-N 299.805 4.801 30 10 CJEE CCCCCCC[C@@](C)(NC1CCCCCC1)C(=O)OC 110321334 WASAIEGGAULXTF-GOSISDBHSA-N 297.483 4.591 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1ccncn1 113898842 YSVVTOAXVFXIHW-QGZVFWFLSA-N 278.440 4.821 30 10 CJEE CCCCCCCCCCCC[C@H](NC)c1cnn(C)c1 115689006 CYDVCRXBDKGZJA-SFHVURJKSA-N 293.499 4.992 30 10 CJEE CCCCCCCCC[C@@H](N)[C@](C)(CC)N1CCCC1 118159899 QTSRGOOSPBGQKL-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NC)cc1C 122743527 JRFXCEKFGBYHRY-OAHLLOKOSA-N 263.425 4.625 30 10 CJEE C=CCCCOc1ccc([C@@H](C)NCCC)cc1Cl 132545807 FVAOOGCGAJBJBG-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE Cc1ccc(Cl)c(Oc2ccc(C#N)c(C)c2)c1 133507994 LQDHRDDLJVMSJX-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(C(C)C)cc1 133969047 HBVYCVXYMMEBRK-SFHVURJKSA-N 257.421 4.654 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1OCCc2ccccc21 139561313 DNTYQBUJHXJXJO-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc(N(C)C)c1 140308320 NIGXMPCHILDYRQ-QGZVFWFLSA-N 262.441 4.503 30 10 CJEE C=CCC[C@H](CCCCCCCCCCC)NN 157140324 WYUOZKGKTGDQNP-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE C=CCC[C@H](NCc1sc(C)nc1C)c1ccccc1 158820159 NCUAGVSWESMWJQ-INIZCTEOSA-N 286.444 4.557 30 10 CJEE CCCCCCCCNCc1cccc2cccnc12 159343772 QZZXVDKEDQWYBK-UHFFFAOYSA-N 270.420 4.685 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165724672 SVZUGJJUNHJLBG-DLBZAZTESA-N 279.468 4.920 30 10 CJEE CCCCCCC[C@H](CCc1cccs1)NC 166404687 KVLJZEUGRBNKGX-CQSZACIVSA-N 253.455 4.629 30 10 CJEE C=CCC[C@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 219365056 HGWYBEXMBQOFHT-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCNCc1occc1C 229478721 CXWKIDUYWRZANB-UHFFFAOYSA-N 251.414 4.818 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 229782860 GOWQUZSCPVHJFD-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CCCCCCCOc1ccc(C=O)c(Br)c1 232949543 GBZPTQUHTVHGRZ-UHFFFAOYSA-N 299.208 4.611 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ncccc1Cl 233610760 BCANKQFPLNRSJL-CQSZACIVSA-N 266.816 4.522 30 10 CJEE Cc1ccc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c1 235860256 NZFLJJPGXUFGNV-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)CCc1ccc(CC)c(C)c1Br 238360421 JDSZNPKSIRXGGY-UHFFFAOYSA-N 267.210 4.829 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H](C)c1ccccc1F 250821527 LJANSTWCGOERRW-HZPDHXFCSA-N 294.458 4.506 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H]2CCO[C@H]2C1(C)C 250831305 RFSCGEAQLHTDAV-BRWVUGGUSA-N 281.484 4.530 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@H](C#N)c1cccc2ccccc12 252211708 WMRBYYCTIYMTDO-NIKGAXFTSA-N 278.399 4.573 30 10 CJEE CCC(CC)c1ccc(OC)c(C2(CC#N)CC2)c1 260864705 POELAGPYBWCBJN-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE CCCC[C@H](CC)CNCCCCC(C)(C)C#N 300441483 GOEBERLTRZYPMW-HNNXBMFYSA-N 252.446 4.512 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 308054835 LTVQJKIFFBTNQK-ZBFHGGJFSA-N 291.822 4.979 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(OCC(C)C)cc1 312856232 YQRPJKDEJIZHSY-MRXNPFEDSA-N 275.436 4.728 30 10 CJEE C[C@@H]1CCC[C@](C=O)([C@@H]2CCOC3(CCCCC3)C2)C1 316795852 OGYULWCZNBYIEE-ZACQAIPSSA-N 278.436 4.511 30 10 CJEE CCC1CCC(C=O)(CCCOCc2ccccc2)CC1 317900836 PWOQYBGSZXDWBC-UHFFFAOYSA-N 288.431 4.769 30 10 CJEE C=C(C)C[C@]1(CNCC(C)C)CCC[C@H](CC)C1 318671989 ZKDFGJMKKJGKNV-DLBZAZTESA-N 251.458 4.785 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CCCCCCC1 379281176 QRWCSHNRTXXIGI-IXDOHACOSA-N 275.436 4.978 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(Cl)cc1Cl 384936293 DMHCMWWYDRUGNX-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 390779230 IBCYKAUEMXXELD-CEXWTWQISA-N 298.474 4.863 30 10 CJEE CC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ccc(Cl)cc2)CC1 393332249 WLOGBXWGMDBVGZ-XNRPHZJLSA-N 289.806 4.733 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cccc(C(F)(F)F)c1 393744750 KQJMXIGOEJVDHG-BXUZGUMPSA-N 271.326 4.711 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCCC1)c1ccccc1Cl 397208999 VNXQRUOAKHPOJP-ZFWWWQNUSA-N 290.838 4.711 30 10 CJEE CCCCCCCCCCC[C@H](N)C[C@@H]1CCOC1 400932204 JJDUSIKUBLUXIY-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE N#CCc1ccc(F)cc1-c1ccc(Cl)cc1Cl 514263299 FWHZBZUXFLDOCY-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCCC[C@@H](C)N[C@H](c1ccccc1)c1nccs1 540349444 PZSKJRZMKGJEFY-GDBMZVCRSA-N 286.444 4.567 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CCC1 579843353 CURKUYYGVRPOIA-ZWKOTPCHSA-N 297.442 4.913 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@H](CCC)CC1 686683735 NSXQKUNONLKYFI-DLBZAZTESA-N 250.426 4.682 30 10 CJEE N#CC[C@@H](Nc1cccc(F)c1Cl)c1ccccc1 690255420 UFQUHEWZVSVCLO-CYBMUJFWSA-N 274.726 4.546 30 10 CJEE CCCCCCCCCC[C@@]1(O)CO[C@@H](C(C)C)C1 691258478 NRILWILKGRINND-SJORKVTESA-N 270.457 4.693 30 10 CJEE CCCC1CCC(C=O)(CC2(OC)CCCC2)CC1 692815509 WXUCVRYDPJPFCS-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CCC(CC)(CS)CN(C)[C@H]1CCC12CCCCC2 694229084 PFTCNENJKWXPGA-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE CCCCCCCCOC(=O)c1cc(C)c(F)c(C)c1 694953497 GNXBUDTWHRCHOI-UHFFFAOYSA-N 280.383 4.960 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1ccc(Cl)cc1C#N 695668719 YERLYPBTOWRGBG-RISCZKNCSA-N 264.800 4.838 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1nc2ccccc2s1 695878788 CSUWYHJYKQRJTP-SNVBAGLBSA-N 276.430 4.717 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)C(C)(C)N 696216070 ZUIUSQRRPCMHDO-OAHLLOKOSA-N 271.489 4.642 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC2(c3ccccc3)CC2)C1 704059550 XTCSVXPUEFJJGL-AEFFLSMTSA-N 270.416 4.894 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccsc1Br 704943891 DXWRDCPGQINFOJ-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccsc2)C1 710835373 AGPUBDGFZOPAEV-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE N#C[C@H](C(=O)c1cscc1Cl)c1ccc(Cl)cc1 711536118 HNKKQRVPAZIOMG-JTQLQIEISA-N 296.178 4.545 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@@H]1C1CC1)NC 714775083 CAYGRTYIESBBIE-BRWVUGGUSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1cccc(Cl)c1C#N 717552582 FJRDIMYPBHMWFJ-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE C[C@@H](Oc1cccc(Cl)c1C#N)C1CCCCC1 719753162 FKQWNLONKGLIGR-LLVKDONJSA-N 263.768 4.559 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)N1CCCCCC1 720400465 SZNHPDIEXSXSDG-KRWDZBQOSA-N 262.441 4.505 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1C[C@H](C)O[C@H](C)C1 724229437 HPDTZXUFCFXCLO-XMTFNYHQSA-N 283.500 4.919 30 10 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CCC[C@@H](Nc1nc(Cl)ccc1C#N)c1ccccc1 2192709561 BXOIWVHPXREKMJ-CQSZACIVSA-N 285.778 4.560 30 10 CJEE C[C@H]1CC[C@]2(CSC(=NCCC3(C)CCCCC3)N2)C1 2194666197 WKKVLVHUQRHANK-WMLDXEAASA-N 294.508 4.598 30 10 CJEE CC1CCC(C=O)(CC2CC3(C2)C(F)(F)C32CC2)CC1 2195156951 UDUVPWWYNIRFQF-UHFFFAOYSA-N 282.374 4.597 30 10 CJEE C=C1CCN(Cc2c(C)cc(C(C)(C)C)cc2C)CC1 2195381448 HWFLKCIGRWWEFV-UHFFFAOYSA-N 271.448 4.753 30 10 CJEE C#C[C@H](c1ccccc1)N(C)Cc1cc2cscc2s1 2195469301 NZHBKLMGUDAZOZ-MRXNPFEDSA-N 297.448 4.769 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCCc2sccc21 2196170288 WVSYMFIEURSZSA-RDJZCZTQSA-N 289.488 4.730 30 10 CJEE CC#CCCCC[C@H](NC)c1ccc2ccccc2c1 2196174332 MSNQXAKNGGTYCW-IBGZPJMESA-N 265.400 4.684 30 10 CJEE CCCCCCCN(C)Cc1cc(CNCCC)cs1 2196692846 SNIODKXJWXLXIF-UHFFFAOYSA-N 296.524 4.650 30 10 CJEE C#CC[C@H](C)CN[C@H](c1ccccc1)C1CCCCC1 2196816370 QBHFOWFBKGLPLR-QFBILLFUSA-N 269.432 4.557 30 10 CJEE C#CC[C@H](C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC 2196847684 HPVHNRZAMWUXEC-XDNAFOTISA-N 277.496 4.867 30 10 CJEE C#CC[C@H](CC1(CN)CC(C)(C)CC(C)(C)C1)C1CC1 2196853798 KDAHSHHGLGTMIX-MRXNPFEDSA-N 275.480 4.607 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCCC)C1CCC1 2197133733 ZKCNVKOKYUZWHU-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2197137692 PUFBEANGHWQFOK-HCXYKTFWSA-N 270.416 4.667 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2C[C@H]2C2CCCC2)C1 2200333140 ULHACZSXOUHUFB-MSOLQXFVSA-N 275.480 4.785 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=NCC(C)(C)C2CCCCC2)N1 2201217563 KUXIGBIGYPAGOA-HIFRSBDPSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1CC[C@@H](N)CC1 2202000077 JLSUIIXYSPWYLM-OKZBNKHCSA-N 282.516 4.623 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1C[C@H]2CCCC[C@@H]21 2203785853 BLALYHMIQHBHFU-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@H](Cc1cccc(Cl)c1F)NC 2203790800 JSYDBIKAYCORKV-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc(C(F)(F)F)o1 2203821141 BHUODZPSEUVNMA-GFCCVEGCSA-N 287.325 4.533 30 10 CJEE CCCCC#CC[C@H](NCC)C(F)(F)C1CCCCC1 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C=CCCCCCCCCC[C@H](N)[C@H](O)C(C)(C)CC 2207411923 VCJWBZPZSZMTDF-IRXDYDNUSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1csc([C@H](C)N)n1 2207415793 URCCICXGTKCAJE-DZGCQCFKSA-N 296.480 4.503 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@]1(C)CCOC1 2207430879 ZLYVTUPETOFHCO-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H]1COC[C@H]1C 2207430894 ZNZMOTBQSMLKLA-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@]1(C)CCCCO1 2207434722 DWEGAEATNHXCMZ-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C1(O)CCCCC1 2207442840 USHFDTIKGQQELZ-QGZVFWFLSA-N 282.468 4.739 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@@H]1CCC[C@H](C)C1 2207446489 ULKZQFKSRYSEKI-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](N)c2ccc(F)cc2O1 2207458267 BELYDLUJBNATBV-GDBMZVCRSA-N 279.399 4.727 30 10 CJEE CCCN[C@@](C#N)(CS[C@@H](C)CC)C1CCCCCC1 2208096911 GAFXOBNFRZZIMM-RDJZCZTQSA-N 296.524 4.750 30 10 CJEE CCCCCCCC[C@](C)(O)c1ncc(Cl)s1 2217293090 PBZBRHBOIKFLHC-ZDUSSCGKSA-N 275.845 4.755 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](F)C1CCC1 2220867025 CIBUKCJOWMMISP-CVEARBPZSA-N 257.437 4.853 30 10 CJEE CC(C)(C)C#CCCNCc1cc(Cl)ccc1Cl 2222834749 MCLCPMFOZPJAOA-UHFFFAOYSA-N 284.230 4.523 30 10 CJEE CCCCCCCCCCCOCC1(C#N)CC1 2223227297 RYDAERZZBQEVEK-UHFFFAOYSA-N 251.414 4.838 30 10 CJEE CCCCCCCCCCCOC(=O)C(C)(C)S 2223229219 WXEFAGQPZLRTCG-UHFFFAOYSA-N 274.470 4.769 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1ccc(F)cc1 2227276529 RWNBZPHHPFMRAW-KRWDZBQOSA-N 263.400 4.612 30 10 CJEE C=CCCCCCCCC(=O)Cc1cccc(F)c1 2227281594 RUVGHNGJTKBNDV-UHFFFAOYSA-N 262.368 4.854 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2231499158 GIOMDYZIAYFSNK-VQHPVUNQSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@@H]1CO[C@@H](C)C1 2231904990 FWZUKMMLSISNFL-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCCOCC1 2231936153 ZTXDHSJFQBNBTP-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCCCCCC[C@H](CC1CCOCC1)NCC 2235520278 XTTPOQRHHJWNSQ-GOSISDBHSA-N 281.484 4.698 30 10 CJEE 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30 10 CJEE C=C(C)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 41570532 TXEQRNOQILDJBM-UHFFFAOYSA-N 283.215 4.712 30 10 CJEE CCN[C@](C)(C#N)CCCSc1ccc(C(C)C)cc1 45363789 RJFFYIJEBOHNRC-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE CCC(C#N)(CC)CCCOc1cccc(Cl)c1 57714581 VZAQVEXDPOYLNP-UHFFFAOYSA-N 265.784 4.829 30 10 CJEE CCCCCCCCOC[C@@H](N)c1cc2ccccc2o1 59083618 MGISKEDKPULYNZ-MRXNPFEDSA-N 289.419 4.810 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](CN(C)C)c1ccccc1 59090185 QWUDZAPQGSZRGJ-MJGOQNOKSA-N 290.495 4.628 30 10 CJEE C=CCc1cccc(C(C)=O)c1OCCCc1ccccc1 66118080 QNFFCUJOMBVRIV-UHFFFAOYSA-N 294.394 4.629 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C#N)cc1Br 69374371 QTJVYJDSFCXELA-LBPRGKRZSA-N 295.224 4.701 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 71159632 NJQSVIUVEDAQKA-TZMCWYRMSA-N 296.336 4.958 30 10 CJEE Cc1ccc2c(c1)c(C#N)c(Cl)n2Cc1cccc(F)c1 71465084 QMWNVCRULAVACS-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CSc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 83192800 VWPTVWTVYPBSAM-DHZHZOJOSA-N 293.391 4.786 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cc(Br)cs2)C1 83776187 KSWKVVAQIDGBTO-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CC(C)[C@H](CS)COc1ccc(Cl)c(Cl)c1 87081785 PVRYMDDCRJQRFB-VIFPVBQESA-N 279.232 4.574 30 10 CJEE CC(C)(C#N)CCCOc1ccccc1C(C)(C)C 87607241 BYIMZBLZSUXUMF-UHFFFAOYSA-N 259.393 4.693 30 10 CJEE N#C[C@]1(Cc2ccc(F)cc2Cl)CCc2ccccc2C1 87998231 AIKHSJCPSBZALM-GOSISDBHSA-N 299.776 4.720 30 10 CJEE CCCCCCCCCCCCN1CC(O)(CCC)C1 91386530 JDHAGUOXYYJGCS-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)cc1F 94837076 XQGQKRLVTPJSRB-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc2ccccc12 97208638 IJVJQTJIFHCTES-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CN(CCCCCCCCCS)Cc1ccsc1 97799216 MVEVIGBICFGSNV-UHFFFAOYSA-N 285.522 4.840 30 10 CJEE CCCCCCCCSCc1ccccc1O 100001076 APWVKKLZIGGQHR-UHFFFAOYSA-N 252.423 4.986 30 10 CJEE CCCCCCCNCc1cc2ccccc2nc1Cl 104469905 MUMQSBAZSIAHDS-UHFFFAOYSA-N 290.838 4.948 30 10 CJEE CCCCCCCCCCN(C)c1cccc(CN)c1 110108040 CNBBTFCQEUDAAB-UHFFFAOYSA-N 276.468 4.722 30 10 CJEE CCCCN(c1ccc(C(F)(F)F)cc1C#N)[C@@H](C)CC 110256467 FXRBELHNGKCERK-LBPRGKRZSA-N 298.352 4.982 30 10 CJEE CCCCCCCCCCCCN1CCCN[C@@H](CC)C1 114077795 MTXGGMQFLWDWMU-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@@H]1CC 114349262 BUBUXIJMRVTWNC-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CN)c1ccccc1C 115862857 BAPIMUKDFIFHPY-MOPGFXCFSA-N 291.479 4.539 30 10 CJEE CCCCCCCCCCN1CC[C@H](C)N[C@H](C)CC1 129455827 OHZVQKOHZTYFPH-HDICACEKSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CCCc2sccc21 135357108 DWALNGNOQLZNJG-ZFWWWQNUSA-N 266.450 4.889 30 10 CJEE CCCCCCCC(=O)[C@H](CCCCCC)C(=O)OC 137191692 XTTBCJYEZQRYNZ-HNNXBMFYSA-N 284.440 4.676 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc(N(C)C)c1 139425725 SMIRWPQGOHLBBY-SFHVURJKSA-N 276.468 4.893 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1snnc1CC 139517947 TXZVAMSGMGAPEF-OAHLLOKOSA-N 297.512 4.892 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CSCCS1 157905706 LOIIMKKCQBOQHB-LSDHHAIUSA-N 289.554 4.564 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 157994955 SHNWBHMJLGMYFG-ULQDDVLXSA-N 279.468 4.617 30 10 CJEE CCCCCCCC[C@H](O)C1(OC)CCCCCC1 158379254 VBGJXOAMPASOTF-INIZCTEOSA-N 270.457 4.837 30 10 CJEE C=C[C@](C)(CCSc1ccccc1)CNC(C)(C)C 158921151 UETXVYMBEAKHCZ-QGZVFWFLSA-N 277.477 4.749 30 10 CJEE N#C[C@H](c1ccc(F)cc1Cl)C1CCCCC1 167870388 VJYLYBRPCKEPRM-ZDUSSCGKSA-N 251.732 4.667 30 10 CJEE N#C[C@@]1(CC2CCCCC2)CCCc2ccccc21 203519938 NFLCTOSLTHPHDB-SFHVURJKSA-N 253.389 4.755 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 226200210 VBRUVFZFJYKCMB-UHIISALHSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCCCCC(=O)CC[C@H](C)N 226366378 HFLPROKNLCBAFM-INIZCTEOSA-N 269.473 4.994 30 10 CJEE C=CCCC[C@H](NCCC)[C@@]1(OCC)CCC[C@@H](C)C1 227754668 RDZZAXYGCIXSQA-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 227925915 CZBJEMWATZQWJQ-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1CC 228155888 YVQNPLIHLLUKOT-RRFJBIMHSA-N 289.554 4.562 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cc(F)cc(Cl)c1 230016194 YUOGRZLGDGFQHG-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252436693 QQSQRXFCIHFCBG-GBESFXJTSA-N 284.447 4.583 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(CCC(C)=NO)cc1 252461821 XJPXDKPEIYJNNS-WMZOPIPTSA-N 289.419 4.817 30 10 CJEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(O)CCC[C@@]23C)C1 257515454 PRMYVLHDWLBDQX-LFDJNIOPSA-N 274.448 4.866 30 10 CJEE C=C(CC)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 309977777 SJWHVAABYCWLMG-LJQANCHMSA-N 282.383 4.655 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1C)c1cccc(C)c1 312797990 PTGSENXTFBEGBX-QGZVFWFLSA-N 264.372 4.738 30 10 CJEE O=CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CCCCCCC1 316978946 ODOCPNABOJJVCB-ULQDDVLXSA-N 278.436 4.654 30 10 CJEE CCCCCCCCCC[C@@H](CN1CCCC1)NCC 328481756 KTQWRFFHKNBSJF-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCC1CCC(C#N)(C[C@@H](OC)c2ccccc2)CC1 379113242 KCTMOOVCARRRNA-IIIMJFFVSA-N 271.404 4.874 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)C1(C)CC1 386134648 WFNSNRFVQFTQEV-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1c(F)cccc1Cl 387453855 QXYUBTICERHJAA-LBPRGKRZSA-N 283.818 4.602 30 10 CJEE C=CC(C)(C)COCc1cccc(CNC(C)C)c1Cl 395288799 XVGCQLRDMJQFOM-UHFFFAOYSA-N 295.854 4.567 30 10 CJEE N#C[C@@H](CSc1cc2ccccc2[nH]1)C1CCCC1 397382754 VJWHSWAGXLZLAP-AWEZNQCLSA-N 270.401 4.590 30 10 CJEE Cc1ccc(-c2nc(Cl)c(Cl)cc2Cl)cc1C#N 408512746 SURYAAFEQJFTAA-UHFFFAOYSA-N 297.572 4.889 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C(F)F)nc1 658060999 RNVNHSNQJAEWBN-NFAWXSAZSA-N 294.389 4.805 30 10 CJEE C#CCCCCCOc1cc(C)c(Br)c(C)c1 686686266 SGLFFYUQYVALNG-UHFFFAOYSA-N 295.220 4.638 30 10 CJEE C#CCCCCC[C@@]1(CNCC(C)C)CCC[C@H]1C 686703195 XDKNSQXDCNXXRC-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@](C)(O)[C@H]2CC2(C)C)C1 688320653 YNERMKJLDMPTIV-GUYCJALGSA-N 277.452 4.530 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1cccc(F)c1C#N 691180982 WIQRRTSVVICUNG-CZUORRHYSA-N 274.383 4.714 30 10 CJEE CCCCCCCCOc1c(CC)cccc1C(=O)O 692165738 SPZICWGJFSUXBF-UHFFFAOYSA-N 278.392 4.687 30 10 CJEE CCCCCCCCC[C@H](O)Cc1nc(C)sc1C 692513223 WJVDAWMXBLFNSI-HNNXBMFYSA-N 283.481 4.804 30 10 CJEE CCCCCCC[C@H](NCCC)C(F)(F)C(F)(F)F 692558966 VZFNANWLTHMKFW-NSHDSACASA-N 289.332 4.913 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](OC)C1CCC1 692756705 GPUSNELXTYVZPX-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]2C[C@@H]2C1 695884877 WTYWPTIQHSRFIF-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CCCC[C@@](C#N)(CC)N(CC(C)C)C(=O)OC(C)(C)C 698816829 RGQIHNQKAFRPRO-QGZVFWFLSA-N 296.455 4.742 30 10 CJEE CC(C)CCCCOCC1(CS)CCCCC1 703604881 QZPCSMRLOOSOAT-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE C=CCCC(C)(C)CNc1ncccc1C(F)(F)F 704023145 MYDNOIHVIIUPQD-UHFFFAOYSA-N 272.314 4.505 30 10 CJEE CCCCCCC[C@@](C)(N)[C@@H]1CC2CCC1CC2 704510071 VGZZSTSFAWAJEX-BHUNQDJPSA-N 251.458 4.891 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1cccc(Br)c1 704908605 CGQKGHUPUIGHDL-DFBGVHRSSA-N 292.220 4.883 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C(C)(C)C)c1 709512436 QQEJHJSXTFNRLM-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccsc2Cl)C1 710929956 VAHMPZWYJNXUAM-MFKMUULPSA-N 253.798 4.664 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714480704 MMDVUZVDKGLYNV-FPCVCCKLSA-N 269.860 4.714 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1sccc1Cl 715786330 HYRKKFBQNDUKAO-ZYHUDNBSSA-N 257.830 4.654 30 10 CJEE N#CC1(C[C@H]2CCC3(CCC3)CO2)CCCCCCC1 716342679 FRJQIGGSIKGQCM-MRXNPFEDSA-N 275.436 4.980 30 10 CJEE C=CCCC(C)(C)n1c(C)cc2c1CC(C)(C)CC2=O 717688714 ACDXFSAGUSIBEK-UHFFFAOYSA-N 273.420 4.653 30 10 CJEE C=C1CCC(CN[C@@H](c2ccc(F)cc2)C2CC2)CC1 724441262 WGDWRKXJYKUATL-GOSISDBHSA-N 273.395 4.613 30 10 CJEE C=C1CCC(C[C@@H](NC)C(C)(C)c2ccccc2)CC1 724549338 DUKKQDFNJJOLHS-GOSISDBHSA-N 271.448 4.689 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H]2CCCc3sccc32)CC1 724615420 GFPPZESXUXYUJR-GOEBONIOSA-N 275.461 4.632 30 10 CJEE CC[C@@H](C#N)c1ccc(C(F)(F)F)cc1C(F)(F)F 725417352 ZGLRIKGSXBVRKD-ZETCQYMHSA-N 281.199 4.741 30 10 CJEE Cc1ccc(C#Cc2ccc(Cl)c(Cl)c2)c(F)c1 725426967 WPQLSXTZQOFOCS-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C=CCCc1ccccc1NC(=S)Nc1ccccc1C 799899820 BPRUAZPVZLLZTF-UHFFFAOYSA-N 296.439 4.923 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CCC)CCc1ccccc1 1126467376 QNIWZNTYHGALFX-SJLPKXTDSA-N 287.447 4.506 30 10 CJEE C=CCC(C)(C)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1130737743 QAVOSKAODCYZNS-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(N(C)c2ccccc2)cc1 1178584525 KDRCBGXHCUGAOF-GOSISDBHSA-N 294.442 4.899 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]1C(C)(C)C 1206247606 LEALOHAOULHMNT-HRCADAONSA-N 251.458 4.926 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCN(C)CC1 1258231636 SALWGCWQVIVHSM-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](CC)c1ccc(F)cc1F 1266803206 YRMSARMSPMSRRE-IAQYHMDHSA-N 282.330 4.561 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccc(C2=CCCC2)cc1 1273994836 QCDMTUBBJANKOS-UHFFFAOYSA-N 283.415 4.586 30 10 CJEE C=C[C@@H](C(=O)Nc1cc(C)ccc1Cl)c1ccccc1 1294894235 UTLCDGHPORDEHO-CQSZACIVSA-N 285.774 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251.458 4.904 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@@H]2CC[C@H]1C2 2312897856 AQLZXPIVVQPDPD-YYIAUSFCSA-N 250.426 4.700 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCC(F)(F)C1 2312946762 QBTVCQRWGPWEPC-XJFOESAGSA-N 253.336 4.532 30 10 CJEE C=CC[C@H](C)SCC[C@@H]1CCCC[C@H]1NCCC 2313525470 WTSMCDNOTATFAN-HRCADAONSA-N 269.498 4.633 30 10 CJEE C=CC[C@@H](C)SCc1ccc([C@@H](C)NCC)cc1 2313645720 SDADRMUDFXHQNR-ZIAGYGMSSA-N 263.450 4.555 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1[C@@H](C)N 2313691477 GMJJNZCZGBOFCC-LLVKDONJSA-N 281.852 4.973 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)ccc1CNC1CC1 2313694709 HMVPATRHAPVVMC-LLVKDONJSA-N 281.852 4.649 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(CCC)s1 2316167664 MWOOXCGJJLCHGV-CQSZACIVSA-N 268.470 4.566 30 10 CJEE CC(C)=CCC[C@H](C)Oc1cccc(Cl)c1C#N 2319102653 UHGLJTTZKVVWRZ-LBPRGKRZSA-N 263.768 4.725 30 10 CJEE C=CCCC[C@@H](C[C@@H]1CCC(C)(C)C1)NCCC 2319111936 AXERRCPFEVPOEM-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCS1 2320318628 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4.517 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]2CC[C@H]1O2 2358322210 MKNVZZMQLPALHM-WNRNVDISSA-N 279.468 4.578 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 2359618328 JPRNCDMYJSQWPX-BBWFWOEESA-N 297.552 4.871 30 10 CJEE CCNc1cccc(C#Cc2c(F)ccc(C)c2Cl)c1 2360556517 HEAGCNLHCSZMMC-UHFFFAOYSA-N 287.765 4.619 30 10 CJEE CC(C)c1ccc(CS/C(N)=N/Cc2ccccc2)cc1 7666037 XZYDXHVFNWBWGY-UHFFFAOYSA-N 298.455 4.558 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2cc(C)c(C)cc2C)c1 21792930 MZOOIJDHFBTRAZ-INIZCTEOSA-N 263.384 4.766 30 10 CJEE CCCCCC[C@@H](C)Nc1cc(Cl)ccc1C#N 36954393 SPYCBWXUSJPTHW-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CCc1c(-c2cccc3ccccc23)sc(C#N)c1N 44273831 HBSPRTSTSZMQIY-UHFFFAOYSA-N 278.380 4.585 30 10 CJEE CCCC[C@@H](CC)COCCCC[C@](C)(C#N)NC(C)C 45324527 PFWAHWJTKTUBNJ-QZTJIDSGSA-N 296.499 4.670 30 10 CJEE Cc1ccc([C@@H](C#N)CCCOc2ccc(F)cc2)cc1 57684776 GXAUXJISFSVANP-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE Cc1cc(C)c([C@H](C#N)Cc2ccc(F)cc2)c(C)c1 57735232 AWFJBLPLBQVQPU-INIZCTEOSA-N 267.347 4.601 30 10 CJEE COc1ccc(C(C)C)cc1C[C@@H](C#N)c1ccc(F)cc1 57761192 GZYLUEJVZALBBM-KRWDZBQOSA-N 297.373 4.808 30 10 CJEE CCCCCCCCNc1cccc(-n2cccn2)c1 59471723 NIMWMAOVZIBNOC-UHFFFAOYSA-N 271.408 4.645 30 10 CJEE C=CCCCSc1ccc([C@H](C)NCCC)cc1 79582163 MZYDXGZVSUNOTP-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE SCc1sc(Cc2cccc(Cl)c2)nc1C1CC1 82435635 MBHJXOTUOIHIBK-UHFFFAOYSA-N 295.860 4.695 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2ccccc2)cc1Cl 83194202 JJZIXQKFPNDWSH-CMDGGOBGSA-N 270.759 4.853 30 10 CJEE N#CC1(c2ccc(F)cc2Cl)CC(c2ccccc2)C1 86559363 AXUMAOKQPWWGDX-UHFFFAOYSA-N 285.749 4.818 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)CC1 86899332 SAQRNASCONSIFM-WFASDCNBSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C#N)cc1Nc1nc2c(C)cccc2s1 91945854 WQPCGWNPVSFRPP-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(C3CC3)c2)C1 94525948 FHSNPQHFSQCELR-ZMYBRWDISA-N 283.415 4.708 30 10 CJEE CC(C)(CS)CN(Cc1ccccc1)Cc1ccccc1 94578937 MELNSJFCFUXBMA-UHFFFAOYSA-N 299.483 4.645 30 10 CJEE C=C(CC)C[C@@H](CSC1CCCCC1)NCCC 97208842 VAJFPEATJXKUJU-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE CCCCCCCCOc1ccc(/C=C\C(=O)OC)cc1 102673391 WICDVRPXTPVVCE-KAMYIIQDSA-N 290.403 4.612 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2)cc1C 103030706 MEEMABUSMXBOTG-KTKRTIGZSA-N 285.774 4.765 30 10 CJEE CCN(c1cccc(F)c1)c1ccc(C#N)c(Cl)c1 104000134 UHWCRANJRIJJFG-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCCCCCCCN1CCCc2c(N)cccc21 109687764 XRRNYHZSJCONGR-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CCCCCCCCOC(=O)CCNc1ccc(C)cc1 110389211 LHVOJIZVMOZCKT-UHFFFAOYSA-N 291.435 4.701 30 10 CJEE CCCCCCC[C@H](C)N(CCC)C1C[C@@H]2CC[C@@H](C1)N2 110418048 SNJFLMBMRDLSBM-BZSNNMDCSA-N 294.527 4.730 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(Cl)cc1 111817313 QJONVCCQSQXMMI-HNNXBMFYSA-N 254.801 4.604 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@@H](CCC)C1 115653825 GMNDROVNBRKSQA-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccc([N+](=O)[O-])cc1 115862155 QHANQGLGBHHWDZ-KRWDZBQOSA-N 293.407 4.639 30 10 CJEE CCCCCCCCCc1onc(N)c1CC(C)C 116908741 KWICVROGALVXEK-UHFFFAOYSA-N 266.429 4.748 30 10 CJEE CCCCCCCCC[C@H](O)C1(N2CCCC2)CCCC1 118176886 PKUBYQFACYQAJE-SFHVURJKSA-N 295.511 4.897 30 10 CJEE CCc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1Cl 122568930 BMDXNONMCYMDRG-UHFFFAOYSA-N 293.153 4.615 30 10 CJEE CCCCCCCC[C@H](NCCC)C1=COCCC1 122594362 QQBFBBJKNONNOL-KRWDZBQOSA-N 267.457 4.800 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1ncc(C)s1 123978163 LEPWRGLSQHNBNZ-OCCSQVGLSA-N 268.470 4.851 30 10 CJEE C=C(CNc1c(F)cc(F)cc1Cl)c1ccccc1 124151473 LVONVYHDYFEONV-UHFFFAOYSA-N 279.717 4.744 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 127762957 FGDUPAFEUYRQSE-RRFJBIMHSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@]1(C)CCCO1 129274605 QZPHFQOOUICECI-QZTJIDSGSA-N 298.515 4.698 30 10 CJEE CCCCCCCC[C@@H](Cc1cnn(CC)c1)NCCC 131916293 YPCWCXIILSVBMM-SFHVURJKSA-N 293.499 4.564 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC[C@H]1NC 132191206 NPFLNITVVZJMSJ-SJORKVTESA-N 269.473 4.674 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(O)C1(C#N)CCCCCCC1 132205404 BHVOLMYJYOJNIS-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE CCSc1cccc(N2CCCC(C)(C)CC2)c1C#N 136673353 VUQZDGUSTDSBAT-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE CSc1cccc(Oc2ccc(C)c(C)c2)c1C#N 136704594 YLHUBIDAZCAENV-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE COc1ccc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)cc1 150293178 WSZFRUZPNBXHAY-OAHLLOKOSA-N 272.388 4.651 30 10 CJEE C=CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)(C)C 156152489 CLHIOULQUXVOHG-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCC[C@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 164936131 UAJXWURMOSQKTE-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCn1c(C2CC2)nc(Cl)cc1=O 165039749 SYHGKOFJGICQOC-UHFFFAOYSA-N 296.842 4.525 30 10 CJEE CCCCCCCC(=O)c1cncc2ccccc12 165532586 LOZPMKMTJWHBNM-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE C#CCCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 227926457 KAYMMXOBVWOMSK-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE CCSc1cccc(NCCC2=CCCC2)c1C#N 228667592 XUVDKGFIKUSKGT-UHFFFAOYSA-N 272.417 4.583 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H](OC)C1(C)C 232912535 IMPUOKMVIQDCPR-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H]1C(=O)Nc2ccc(C)cc21 232927023 NWLFCUXISSAESM-CQSZACIVSA-N 259.393 4.781 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 235615310 NKMMPRCTLYABTJ-LLVKDONJSA-N 282.305 4.563 30 10 CJEE C=CCCCCC[C@H](N)c1cc(Br)ccc1C 235768195 JDRGLMRCSJMATR-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE C=CCCCCC[C@H](N)[C@H]1CCCc2ccccc21 236302125 RXPCQKDJBNMDQQ-ROUUACIJSA-N 257.421 4.570 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(F)cc1Cl 236538014 VMWKAGLMZZEDSB-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE C[C@@H]1CCC[C@H](S[C@H]2CCCCC[C@H]2C#N)C1 251839270 OAQPYJZNSBFUAR-QPSCCSFWSA-N 251.439 4.771 30 10 CJEE Cc1c(C=Nc2ccc([N+](=O)[O-])cc2)sc2ccccc12 254741575 AWXCIYMEHCGQFR-UHFFFAOYSA-N 296.351 4.869 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1(CCF)CC1 292468833 XISCMSJUSXZXNM-UHFFFAOYSA-N 289.394 4.617 30 10 CJEE CCC[C@H](CC(C)C)[C@@H](CC#CC(C)(C)C)NCC 308062597 VUWYQSWOGHBGMC-IAGOWNOFSA-N 265.485 4.867 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@H](CCC)CC(C)C 308079458 YQCKPIHMCJDRQP-MSOLQXFVSA-N 283.500 4.798 30 10 CJEE CC(C)c1ccc([C@]2(C)CCC[C@@H](CC#N)O2)cc1 312118481 SJXAIWNSWMTDPP-IRXDYDNUSA-N 257.377 4.508 30 10 CJEE CCCCCCC[C@@H](NCC)C1(COC)CCCC1 312967593 MKMHHCHSUQJYJT-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CCCC1CCC(C=O)([C@H]2CCC[C@H](C)C2)CC1 317122038 HKMIXTQVEQIDCG-SOEBMCCKSA-N 250.426 4.988 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1 317911832 ISSQMLMEHOTKHE-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE N#C[C@@]1(CCCCc2ccccc2)C[C@H]2CC[C@H]1C2 381637761 DREFIGUCHHQLAQ-OKZBNKHCSA-N 253.389 4.729 30 10 CJEE C=CCOc1ccccc1CN[C@H](C)CCC(C)(C)C 386100958 IAJXSZTZUJIVRD-OAHLLOKOSA-N 275.436 4.556 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c(F)cc1C 386392251 GGMDOLICZPRJAD-INIZCTEOSA-N 252.373 4.836 30 10 CJEE C=CCC(C)(C)CN[C@@H]1C[C@H](C)Sc2sccc21 386797175 MDMLNDRYSSMVBF-WCQYABFASA-N 281.490 4.865 30 10 CJEE C=C(C)CCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 386881827 MGHRZVVTWMKZQD-VIFPVBQESA-N 276.182 4.749 30 10 CJEE C=C(COCC)[C@@H](NCCC)c1cccc2ccsc12 387630527 FECLFSPCJRGZEE-MRXNPFEDSA-N 289.444 4.535 30 10 CJEE Fc1ccc(C(F)F)c(F)c1SC(F)(F)F 396092755 BKNKJKFFQZJENK-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE Cc1oc(Br)cc1C(=O)C1=CCCCCCC1 396740272 DBMCWUFFOXVHJR-UHFFFAOYSA-N 297.192 4.814 30 10 CJEE CC(C)[C@@]1(C)CSC(=Nc2cccc3ccccc23)N1 398486777 GRXLBRMJVXKLMY-QGZVFWFLSA-N 284.428 4.578 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1cc(C#N)cc(F)c1C 401578982 WLQMDCODSFOGSO-LSDHHAIUSA-N 274.383 4.634 30 10 CJEE C=CCOc1cccc(CN[C@H](C)c2ccc(CC)cc2)c1 409593579 ILAQEGFUTOXYKG-MRXNPFEDSA-N 295.426 4.665 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(C)o1 530402359 UPNDSMGNOPANLZ-UHFFFAOYSA-N 297.398 4.621 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(C)c1C 686702280 GBHUUZAPDYUEAL-GOSISDBHSA-N 257.421 4.538 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(COC)c1 693398661 DANYHAULLXELHL-KRWDZBQOSA-N 263.425 4.583 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](OC)C1CCCCC1 695113591 MKGXUBIELBSKRL-AEFFLSMTSA-N 283.500 4.920 30 10 CJEE CC1(CNc2ccc(Cl)cc2C#N)CCCCCC1 695665099 ATJQMEXBSABLNB-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(C)CCCC[C@@H]1N 696618671 XCPYUCDPEYYVEI-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCCOC1CCCCC1 699952690 WBWJLBFCWLODON-WBVHZDCISA-N 266.425 4.511 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCc2ccccc2O1 700696652 QAMZCSYGICBAQX-SFHVURJKSA-N 274.404 4.700 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2ccc(Cl)cc21 701870927 AAJYXZXULJPRKJ-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCC12CCCCC2 703723369 ZYHQULWYYGXRPC-MRXNPFEDSA-N 295.536 4.911 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCCCC[C@H]2C)CC1 709141186 GEMKMYKNHOHUMI-CPFNUKBASA-N 277.452 4.674 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)[C@@]12CCCC[C@H]1C2 709254731 VQSAVIUFHNAJME-VYDXJSESSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCCSCC1 709597234 STINDHCTVQQHAQ-CABCVRRESA-N 257.487 4.611 30 10 CJEE C=C(Cl)CC1(CNCC(C)C)CCC(C)(C)CC1 710630251 LSYFCIOWEGIOMZ-UHFFFAOYSA-N 271.876 4.961 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)COC)NCCC 712628243 YPIAZSPFMAUYKX-INIZCTEOSA-N 271.489 4.778 30 10 CJEE CC[C@H](/N=C1/NC2(CCCCCCC2)CS1)C1CCC1 713275785 PTQIESWMOPYCSF-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CCCCCCCCC(=O)Cc1scnc1Cl 721131976 CXXQMSFQSGNOBF-UHFFFAOYSA-N 273.829 4.659 30 10 CJEE CC1(C)OB(/C=C2/CC[C@@H]3CCCC[C@H]3C2)OC1(C)C 723642978 FSEXWWGUEOEYHD-WNOHDGRVSA-N 276.229 4.535 30 10 CJEE CCCCCCCCCC1(C=O)C[C@@H](C)O[C@H](C)C1 724231236 UPMMVITWWBHMNB-HZPDHXFCSA-N 268.441 4.900 30 10 CJEE C[C@@H]1CC(C#N)(Cc2c(Cl)cccc2Cl)C[C@@H](C)O1 724287395 KVPBTFYKZDCKAM-GHMZBOCLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(CSc2ccc(Cl)cc2N)CC1 724557736 YETSEFCCAONGST-UHFFFAOYSA-N 267.825 4.761 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(F)c(Cl)cc2F)CC1 724558832 FAWMUPJKSMCFDC-OAHLLOKOSA-N 286.749 4.788 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H]2CCCc3ccccc32)CC1 724577787 SEVPTZZZCKOWQL-RBUKOAKNSA-N 270.416 4.604 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](CCC)CC[C@@H]2O)CC1 724595716 VWLOQXRFPCECDE-XIRDDKMYSA-N 250.426 4.700 30 10 CJEE Cc1ccc(C(=O)/C=C\c2coc3ccccc23)s1 746521050 BVNQKLFVGPGOLE-FPLPWBNLSA-N 268.337 4.699 30 10 CJEE C=CCC1(CNC(=O)c2ccc3ccccc3c2)CCCC1 1128862209 MRQAKITVUYTOAI-UHFFFAOYSA-N 293.410 4.706 30 10 CJEE C=C(C)CN(CCCC(C)(C)C)Cc1cnn(C(C)C)c1 1170218893 WQPQURATDGMCCC-UHFFFAOYSA-N 291.483 4.668 30 10 CJEE C=CCC[C@@H](C)NCc1cc(C)n(-c2ccccc2)c1C 1183279195 AWABORWGKDTYQC-OAHLLOKOSA-N 282.431 4.538 30 10 CJEE C=CCC1(C(=O)N[C@H](CC)C2CCCC2)CCCCC1 1272443050 IOSLWINHODJIAP-MRXNPFEDSA-N 277.452 4.598 30 10 CJEE C=CCCCCCN(C)[C@H](C)c1cc(F)ccc1F 1307418620 YNQUAEGPPGXBJY-CYBMUJFWSA-N 267.363 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CCC)CCCC 1312182071 XKMAFXYKDVHXCO-BRWVUGGUSA-N 294.483 4.779 30 10 CJEE C=CC1(CC(=O)NCc2ccc(Cl)s2)CCCCC1 1351779777 CNQRADYFQJVBHP-UHFFFAOYSA-N 297.851 4.544 30 10 CJEE C#Cc1cccc(NC(=O)/C=C\[C@]2(C)CC[C@@H](C)C2(C)C)c1 1353337426 MDIKEDLLEYJSQO-NGVBWEOVSA-N 295.426 4.625 30 10 CJEE C#CCN(C[C@H](C)c1cccc(Cl)c1)C1CCCCC1 1461904779 XFGGTSXLXVTJJM-HNNXBMFYSA-N 289.850 4.711 30 10 CJEE C=CCCCN1CCC(CCc2ccc(F)cc2F)CC1 1473594574 PZRJBCSUTHPFMF-UHFFFAOYSA-N 293.401 4.576 30 10 CJEE C=CC(C)(C)CCNCc1c(Cl)cccc1CC 1474219008 OXUNEYVEDROHJP-UHFFFAOYSA-N 265.828 4.594 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(-c2ccccc2)s1 1519990322 ZUGYYSGFDSFWNZ-AWEZNQCLSA-N 299.439 4.890 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1Cc1ccccc1 1523755112 PKSHWRMWIJLUDM-UHFFFAOYSA-N 279.383 4.572 30 10 CJEE C=CC1(CC(=O)NCCC2=CCCCC2)CCCCC1 1529876714 UDMBDROVUVCPEX-UHFFFAOYSA-N 275.436 4.520 30 10 CJEE C=CCC1(NC(=O)c2ccc(C)c3ccccc23)CCCC1 1539234892 ASVPSCVNLRLZDC-UHFFFAOYSA-N 293.410 4.767 30 10 CJEE C=CCOc1ccc(CNC[C@H]2CCC[C@@H](CC)C2)cc1 1560469506 FPGXEAWEJXLYFY-AEFFLSMTSA-N 287.447 4.557 30 10 CJEE C#C[C@H](CC)N[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1560819425 SEMIYEXTQCQCDD-DVOMOZLQSA-N 296.241 4.631 30 10 CJEE C=CCCCC[C@@H](C)NC[C@H]1CSc2ccccc21 1560848480 JCQLLGSKHSBYOO-CABCVRRESA-N 275.461 4.600 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2nc(C)cc(C)c2c1 1561006997 HQHRJEYJEARPLY-CYBMUJFWSA-N 254.377 4.618 30 10 CJEE C=CC(C)(C)CCNc1nc2c(C)cccc2s1 1612646432 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C#Cc1cccc(NC[C@@H](CCC)c2ccccc2)c1 1657019794 NBMBURRDFDXBHZ-GOSISDBHSA-N 263.384 4.664 30 10 CJEE C=C(C)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 1658070530 GLPICPBDCOSQLR-HNNXBMFYSA-N 267.372 4.706 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1658206216 DNZFDRODZLONOO-CVEARBPZSA-N 290.410 4.840 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCC[C@@H](C)C1 1659302020 IAXKPCJWTSXBKY-HUUCEWRRSA-N 263.450 4.562 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CS[C@H](C(C)C)C2)c1 1660164596 MMWFBSLJLCVQFY-HOTGVXAUSA-N 261.434 4.662 30 10 CJEE C=CCCc1ccccc1NCCCC(F)(F)F 1664435431 MWHXWJFFKWYEMQ-UHFFFAOYSA-N 257.299 4.560 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(SCCC)n2)C1 1665420192 GBBXVPDOYFWXDW-KBPBESRZSA-N 276.449 4.740 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC[C@H]3CCCC)cc21 1665790024 MVRMQIQADAQMFP-QAPCUYQASA-N 297.446 4.993 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@@H]1CCCC 1668354617 JKDZVDMHUXGCND-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)C(C)(C)CC)c1 1673600257 AQMMLBQLPOKYMF-CYBMUJFWSA-N 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265.441 4.818 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2[C@H]3CCCC[C@H]32)CC1 2111010398 VMVAJTYHXFNVMP-KYHPRHEASA-N 262.437 4.988 30 10 CJEE C[C@]1(C[C@@]2(C=O)C[C@H]3CC[C@H]2C3)CCCCC1(F)F 2111628078 CRNANEBTPGUYQE-BYNSBNAKSA-N 270.363 4.597 30 10 CJEE C=CCCCCC[C@@H](NC)c1cnc(C(C)(C)C)s1 2114349496 ILXRLOPGMGYPTR-CYBMUJFWSA-N 280.481 4.838 30 10 CJEE C[C@@H]1C[C@@H]1CCC[C@]1(C#N)CCc2ccccc2C1 2126341694 HPDKLRPXOABWLQ-HFTRVMKXSA-N 253.389 4.512 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2cc(Cl)c(F)cc2C#N)[C@@H]1C 2128014707 XOWNGXBBLWBLGU-GPCCPHFNSA-N 280.774 4.587 30 10 CJEE C=CCCCC[C@H](C[C@@H]1C[C@@H]1C(F)(F)F)NCCC 2128834619 RLVPSNJRMLOQQL-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@@H](CC[C@H](C)COC)NCC 2130970972 ZQTAFEKVMGYDNF-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1C[C@H]1C1CCCCCC1 2135422335 AMJPENCOABMRIH-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE CCCC[C@](C#N)(CC)C[C@@]12CC[C@@](CC)(C1)OC2 2137277486 CGDPKOZXUZQRDJ-IKGGRYGDSA-N 263.425 4.836 30 10 CJEE 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CCC(C)(C)C(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290193552 ZTNWHKONRUGRLQ-HNNXBMFYSA-N 271.404 4.597 30 10 CJEE C=CCCCCCC[C@]1(OCCC(=O)O)CC[C@H]1CC 2291295470 TXYWTOWYZXKXHH-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1cc(C)sc1C 2291750139 AXWTXLLUVOKAAU-HNNXBMFYSA-N 296.432 4.644 30 10 CJEE CCCCCCC[C@H](C=C1CCCCC1)OCC(=O)O 2292449981 YBMVRUGTXBEUHR-MRXNPFEDSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@](C)(OCCC(=O)O)C1CC1 2292579877 MPLQDJMSGPYCAR-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C(C)(C)C)[C@](CCC)(OCCCN)[C@@H]1CC1(C)C 2293348085 KMTANSODKPSMEB-QAPCUYQASA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@H]2C[C@@H]1C2 2293465849 GVATXYGFJZECFA-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@@H](OCCCN)[C@]1(C)CC=CCC1 2293819506 GWKGWJTZRHTBHI-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=C1CCC(C[C@H](CCCC(C)C)OCCCN)CC1 2293841221 XQLHRGHTNKRKRV-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCN)c1csc2ccccc12 2294243362 RAHVJQDSQLONIJ-CXAGYDPISA-N 289.444 4.520 30 10 CJEE C=CCCCCC1(OCCCN)CCC(C(C)C)CC1 2294418669 DHGSKUHZUITJGQ-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CC(C)C)C(=O)O 2295531338 KGBDHCMEHWAGOG-HZPDHXFCSA-N 285.472 4.605 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](CC(F)(F)F)CO1 2295534266 PQPGCUYTVVXLLX-ZIAGYGMSSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](O)C(CC)CC 2295667703 AOHBTIGAFCFVJO-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(NC1CC1)C(C)C 2295712413 WYAYXZLOQHHVEC-RDJZCZTQSA-N 296.524 4.606 30 10 CJEE C#CCCCCC[C@](N)(c1ccccc1)C1CCCC1 2295712929 APRPFANFTBTVDR-IBGZPJMESA-N 269.432 4.615 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NC2CC2)[C@H]1C 2295765554 DXIAXABCMSCLFH-UAGQMJEPSA-N 294.508 4.503 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Cl)c1CNCC 2298939287 MDYLLDIKZFJREH-LLVKDONJSA-N 269.841 4.506 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@H]2C(C)(C)C)C1 2311590903 SLJFTKLZXUIEHJ-JJRVBVJISA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)Sc1ccc(F)cc1[C@H](C)NCC 2313693314 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CC#CCCCC[C@H](NCCC)[C@](C)(CC)C(F)F 2336606204 MBKMZJIWSHOMLL-HOCLYGCPSA-N 273.411 4.620 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cscc1C(F)(F)F 2337061327 XWXIOUSABHPRAS-GXFFZTMASA-N 289.366 4.601 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)cc1C 2337108718 IONNXUIDCAOBBV-JZXOWHBKSA-N 257.421 4.699 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CCC(F)(F)CC1(C)C 2337111806 OSTREOSNNMNHLY-MCIONIFRSA-N 271.395 4.535 30 10 CJEE C=CCOc1ccc([C@@H](O)CCC(CC)CC)cc1 2338137561 YXERXKNAESSCEH-KRWDZBQOSA-N 262.393 4.501 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1CCCC(C)(C)CC1 2338725843 VRSSEXWILZKNJV-DLBZAZTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CC[C@H](C)CC1 2338741816 QNBILMOSEKFAIQ-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2cc(F)ccc2o1 2341926305 KLNFUVZNOGSCPL-AWEZNQCLSA-N 261.340 4.579 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cccnc1C(C)C 2342156518 GRKGAPKXEPAKFT-KRWDZBQOSA-N 258.409 4.858 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COc1ccc(C#N)c(Cl)c1 2343154850 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275.480 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCC(C)(C)[C@](C#N)(NCCC)C1 2360202729 OCXFXAHKEHGEEG-UXLLHSPISA-N 294.508 4.525 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc(CNCC(C)C)cc1F 2360375766 QBUCUWSVWXVGPQ-GFCCVEGCSA-N 299.430 4.767 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCC2(F)F)NCCC)CC1 2360544833 DRPLJLCFVZFBBA-JKSUJKDBSA-N 285.422 4.927 30 10 CJEE Cc1cccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)c1 14479844 PLIOORICIXYILY-QKLQHJQFSA-N 286.378 4.693 30 10 CJEE N#C[C@H](C(=O)C1CCCCCC1)c1c(F)cccc1Cl 53714804 UQQXZJQWDDEBGL-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE CCc1ccccc1OCCC[C@H](C#N)c1ccc(F)cc1 57685594 HVXCLJVUMVEWMC-QGZVFWFLSA-N 297.373 4.854 30 10 CJEE Cc1ccsc1/C=N/c1ccc2ccccc2c1 59519086 QPRUHLOIHLXCTE-GZTJUZNOSA-N 251.354 4.960 30 10 CJEE N#CC1(c2ccc(F)cc2Cl)CCCCCC1 62606957 FESHVVFNDPALEM-UHFFFAOYSA-N 251.732 4.595 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 68603199 RJORYNXIYKFROT-AAEUAGOBSA-N 296.336 4.958 30 10 CJEE CCCn1c(Cl)c(C#N)c2c(Cl)cc(Cl)cc21 71466314 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CJEE CCCCCCC[C@H](C)NCc1ccc(F)c(F)c1 109935027 DXOACPAJIRBFQB-ZDUSSCGKSA-N 269.379 4.803 30 10 CJEE Cc1ccccc1Sc1cccc(Cl)c1C#N 110354260 JAVAGNUFFVFLRW-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCC[C@@H](CSC(C)C)NCC 115644697 DKAHZCFSMRNBQX-HNNXBMFYSA-N 259.503 4.857 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(C)c(C)c1 122197998 JCXGECXSHLQEOB-SFHVURJKSA-N 276.468 4.949 30 10 CJEE C#CCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 122845839 LKHHGKIEKFPUTR-CQSZACIVSA-N 284.230 4.838 30 10 CJEE CCCCCCCCCOc1ccc(C[C@H](C)O)cc1 132093361 RQJMYCHICLSAOI-INIZCTEOSA-N 278.436 4.739 30 10 CJEE CCSc1cccc(Sc2ccc(O)cc2)c1C#N 137071605 VEMFYOLBKBUCJM-UHFFFAOYSA-N 287.409 4.527 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](CC)OCC 158211717 GDBKFQKVHISBED-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@@H](N)c1sccc1OC 158989409 RNEFNWYJXURXJJ-GFCCVEGCSA-N 255.427 4.507 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1NCCc2ccccc21 168310766 GKJHXDUSSUKMDG-LJQANCHMSA-N 287.447 4.583 30 10 CJEE CCCCC[C@@H](C)Nc1cccc(Br)c1C#N 168492355 MAGJTSWQZHPOQU-LLVKDONJSA-N 295.224 4.701 30 10 CJEE N#CCc1ccccc1C1c2ccccc2-c2ccccc21 196348217 AXYMXSMLEMOBQC-UHFFFAOYSA-N 281.358 4.913 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cnc2ccccc2c1 205512097 HCYDFLKHWICOKW-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCCCCC[C@H](NC)c1cncn1C 213650587 KQEMSHDHRBAKDB-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CC(C)(C)C1CC(C#N)(c2cccc(Cl)c2F)C1 213767035 DHTHGZMXDAYAAM-UHFFFAOYSA-N 265.759 4.697 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc3ccccc23)C1 218337089 WSLTUSWCDXIJBV-MDASCCDHSA-N 279.383 4.593 30 10 CJEE N#Cc1cccc(NCCc2ccc(Cl)cc2Cl)c1 227606300 MCROMZFFOTXYIL-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(CCC(C)C)C2CCCC2)C1 228376777 KZKPTCDLSIFSRG-LMMKCTJWSA-N 290.495 4.996 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1Cc2ccccc21 229731587 UIOOMQNCXILEMD-SJORKVTESA-N 259.437 4.794 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)ccc1Br 229755267 WRFGAEOIHMREBF-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](C#N)(Nc2ccccc2F)C1 230779501 YJICBBRHSPQKKR-WMLDXEAASA-N 274.383 4.736 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1ccccc1F 232973106 SCVMOSBYYRCJGO-HNNXBMFYSA-N 281.415 4.739 30 10 CJEE C[C@H](N[C@H]1CCCCC[C@H]1C#N)c1ccc(Cl)s1 251532842 NAIMXVHZAVCWOQ-SRVKXCTJSA-N 282.840 4.525 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251640479 MRHNKPJUNVVPKQ-SMLCLMEVSA-N 276.468 4.604 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@@H]2C[C@@H]2C1 253053086 WTYWPTIQHSRFIF-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE CC[C@H](C#N)CNc1c(C)cc(C(C)(C)C)cc1C 259042935 RLQVWZWBBOZBGE-CQSZACIVSA-N 258.409 4.563 30 10 CJEE CC[C@@H](Nc1cc(C)cc(C#N)c1)c1cccc(F)c1 308123824 UHLNQPVAPKPEAH-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@H](CC#N)O1 311244237 ZITGPQDEJPLBBQ-HZPDHXFCSA-N 251.414 4.978 30 10 CJEE N#CCc1cccc(NCCCC2CCCCC2)c1 313444163 ZJOCGDOIVUNMSZ-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE C=C(CC)CN[C@@H](c1ccccc1)c1ccccc1C 313485559 SBDIWSMSRVKDMU-IBGZPJMESA-N 265.400 4.640 30 10 CJEE C=C(CC)CN[C@@H]1c2cc(Cl)ccc2CC1(C)C 313496016 YEBIPUUCZUBIBA-OAHLLOKOSA-N 263.812 4.519 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CC[C@@H](C)C1 316747585 QAYMSFPSBZPIQM-TYNCELHUSA-N 295.220 4.558 30 10 CJEE C[C@H]1CCC[C@](C=O)(CC(F)(F)c2ccccc2)C1 317205535 VMHSEJQCZWBGTN-DZGCQCFKSA-N 266.331 4.564 30 10 CJEE CCCCCCC[C@@H](CC/C=C\c1ccccc1)NN 324288296 OKJANSNJPLKSPW-BLSFAOBESA-N 274.452 4.672 30 10 CJEE C=CCCCCCCN[C@H](C)c1c(F)cccc1OC 380190599 CVZQJESVQQMVKP-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCN[C@H](C)c1cc(F)cc(F)c1 382340127 BFIRTXNKPQEPLZ-CYBMUJFWSA-N 267.363 4.752 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(OC)s1 386009665 VCKNHKIOPWFPPQ-ZDUSSCGKSA-N 270.438 4.931 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)CC(C)(C)C 394243018 VECBCTIJCOCSQV-QGZVFWFLSA-N 284.532 4.822 30 10 CJEE C[C@@H]1CCC[C@H](SCc2ccc(CC#N)cc2)C1 399129459 MKADCCLOLZQQFQ-CJNGLKHVSA-N 259.418 4.565 30 10 CJEE C=CCSCCN[C@@H](C)c1c(Cl)cccc1Cl 401015750 PWAPVTGHIPWZAF-JTQLQIEISA-N 290.259 4.563 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1cc(C#N)cc(F)c1C 401578978 WLQMDCODSFOGSO-CABCVRRESA-N 274.383 4.634 30 10 CJEE CCC[C@@H](CS)CO[C@@H](CC)c1ccccc1 403309842 UAYTWGKSLCZAGH-HIFRSBDPSA-N 252.423 4.500 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccccc2Cl)c(Cl)c1 404758540 QFEMWMULYYXVOM-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C[C@H](N[C@H](C)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F 512612641 PRNYEGZHOWCJSF-KFWWJZLASA-N 296.389 4.540 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 651667525 GIZVLLKQRWNUIR-KPFFTGBYSA-N 292.426 4.505 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1Cl 691041616 SVXMHTNMWYRHBI-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCc1ccc(NCc2ccc(C)c(C#N)c2)cc1Cl 701879855 GJNSCHPJKKKKPX-UHFFFAOYSA-N 284.790 4.695 30 10 CJEE C#C[C@@H](N[C@H](CCCCC)c1ccccc1)C(C)(C)C 702250853 MWIUVJQLUILVGT-QZTJIDSGSA-N 271.448 4.946 30 10 CJEE C[C@@H]1C[C@H](N(C)c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 709183394 LHRDXANTYQNDBC-DOMZBBRYSA-N 290.838 4.863 30 10 CJEE CCCCCCCOc1ncc(Cl)cc1CNCCC 711823787 DWWGVXRHZDRRMV-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE C=CC[C@@H](C)c1c(Cl)cccc1Br 715794293 AOBNRNLVMOCLNK-MRVPVSSYSA-N 259.574 4.782 30 10 CJEE CCCCCCCCCCN[C@@H]1COC[C@H]1CC(C)C 716331326 WWCAFBUODBKAMC-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE C#CCCCCC[C@@](C)(O)c1ccc(C(F)(F)F)s1 717963136 RZKOVAVKVXGTTR-CYBMUJFWSA-N 290.350 4.558 30 10 CJEE C=C(C)CC[C@@H](NCC)c1csc(C(F)(F)F)c1 718618297 VSKCAJMMCKNLEJ-LLVKDONJSA-N 277.355 4.774 30 10 CJEE CCCCCCC[C@@H](O)C1CCC(SC)CC1 720405432 KJJWLWIZEVBJLW-YMAMQOFZSA-N 258.471 4.630 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724307836 VRJCRGNQYSVCKQ-LTIDMASMSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H](N)C2(c3ccccc3)CCC2)CC1 724550458 ROEFNZMJAJOBHR-GOSISDBHSA-N 269.432 4.572 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CC3CCC2CC3)CC1 724605540 MZYFRCHSVAFHBA-KXIUCKCTSA-N 261.453 4.537 30 10 CJEE N#CCc1cccc2sc(C(F)(F)F)c(Cl)c12 725286393 APATTWYMPYMSNE-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CCC)CCc1ccccc1 1126467375 QNIWZNTYHGALFX-FUHWJXTLSA-N 287.447 4.506 30 10 CJEE C#CCCCCCCN1C[C@@H]2CCCC[C@]21c1ccccc1 1167706724 ZIOJARGAWOGUTA-SFTDATJTSA-N 295.470 4.971 30 10 CJEE C=CCCCCCN(C)C/C(C)=C\c1ccccc1 1169242933 DIFZBEHOBGXMSV-ICFOKQHNSA-N 257.421 4.768 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1193497645 UAMJGJXTMTUIAL-GDBMZVCRSA-N 297.364 4.897 30 10 CJEE C=CCC1(CNCC2(CCOC)CCCCC2)CCCC1 1202388195 QAHRTOPAMRPERV-UHFFFAOYSA-N 293.495 4.700 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc(CC#N)c1 1205849867 VSDOHUONZHUFMI-HNNXBMFYSA-N 256.393 4.690 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1ncccc1C 1207783429 GPFGFUGCYGOSAK-HOTGVXAUSA-N 260.425 4.566 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1264225057 BNWUUBPQBSUMLE-HNNXBMFYSA-N 287.447 4.545 30 10 CJEE C=C(C)COc1cccc(NC(=O)CCC2CCCC2)c1 1264935016 DQYPQFNHAHHETA-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCCC(=O)CSc1cc(C(C)(C)C)ccc1C 1307251393 CFBFNGIJGSLBRV-UHFFFAOYSA-N 276.445 4.920 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 1352562648 XJBVOUSQTSXFQL-UHFFFAOYSA-N 284.186 4.678 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](CC)C1CCCCC1)c1ccccc1 1434969523 UQSPGYJUIPQAFH-APWZRJJASA-N 299.458 4.821 30 10 CJEE C#CC[C@H](NC(=O)[C@@H](CC)CCCCCC)c1ccccc1 1458089798 VBTQMTSKJOXBBP-HKUYNNGSSA-N 299.458 4.864 30 10 CJEE C=C[C@](C)(CC)C(=O)NC1CCC2(CCCCC2)CC1 1459006315 MFJJPPMXOBJHSQ-QGZVFWFLSA-N 277.452 4.598 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(F)(F)c2ccc(Cl)cc2)C1 1461493269 FPJYPBXOIROUMH-SWLSCSKDSA-N 299.792 4.766 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCO[C@@H](C(CC)CC)C1 1474396692 MTIDMHWTBNJQLX-RCCFBDPRSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCNC(=O)NCC[C@@H]1CCCC[C@@H]1C 1477896795 DPDQJZVRYKWXIO-IRXDYDNUSA-N 294.483 4.639 30 10 CJEE C=CCCCCCCNC(=O)c1oc2ccccc2c1CC 1525671622 MYECTRUQAHERLK-UHFFFAOYSA-N 299.414 4.862 30 10 CJEE C=C(C)CCC(=O)NC1(c2cccc(Cl)c2)CCCC1 1534452021 FSVKXTFOIUZNNN-UHFFFAOYSA-N 291.822 4.582 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 1536780501 GHZZPAPUBYMBGK-MRXNPFEDSA-N 297.801 4.649 30 10 CJEE C=CC[C@H](C(=O)N1CCC(CC)(CC)CC1)c1ccccc1 1556265956 ROXCFHNEVWEHEU-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(CC)c1 1562145209 ONRPKFDPXJUVAF-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 1565183703 HXLCCMAFRGBSOB-HUUCEWRRSA-N 294.483 4.587 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 1583037559 NGPDHYBPTKLTIC-QXPKXGMISA-N 297.423 4.585 30 10 CJEE C=C[C@H](CC)CC(=O)N1c2ccccc2[C@@H](C)CC1(C)C 1583815407 OFJVBHMBFSHCMZ-LSDHHAIUSA-N 285.431 4.908 30 10 CJEE C=CC[C@H]1CCN1C(=O)[C@@H](C)CCCCCCCC 1603353462 ZBVQEHDBWPNAJY-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C1CCC(CNC(=O)[C@@H](CCC)CC2CCCC2)CC1 1611415383 BHQJOSDWQOMZND-SFHVURJKSA-N 291.479 4.846 30 10 CJEE CCc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614730670 FQSZFWQOZDTWJJ-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE FC(F)(F)c1cccc(C#Cc2ccccc2Cl)c1 1614731350 ZDUZKZHQIDVXLZ-UHFFFAOYSA-N 280.676 4.759 30 10 CJEE CCN(CC)c1ccc(C#Cc2cc(C)cc(C)c2)cc1 1614826449 TUNHRMQVSOLFQT-UHFFFAOYSA-N 277.411 4.549 30 10 CJEE C=CCCCCCCCCNC(=O)C1=CC[C@H](C)CC1 1638220480 NQDPIDGGAODNDJ-INIZCTEOSA-N 277.452 4.766 30 10 CJEE C=CCCN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 1653060175 GGEAZSWSWDDIHZ-GOSISDBHSA-N 285.818 4.790 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1cccc(Cl)c1 1654303824 GDRINTLXZSJMTH-VBNZEHGJSA-N 261.796 4.584 30 10 CJEE C=CCN(CCOc1cccc2ccccc12)C(C)(C)C 1655094287 UROQOVYITFHVLD-UHFFFAOYSA-N 283.415 4.505 30 10 CJEE C=C(C)CCN[C@@H](CC(C)C)c1ccccc1OCC 1657936384 JAQHTWXPENPOSP-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 1658347165 LGGKXRCDACPZAA-JKSUJKDBSA-N 263.812 4.532 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1cccc(C(C)(F)F)c1 1676398840 XQRZSBMRPQOANR-UHFFFAOYSA-N 296.361 4.522 30 10 CJEE C=CCCCCCCNC(=O)N[C@H](C)CC1CCCCC1 1681891911 JRHNGYKBJKNSJV-MRXNPFEDSA-N 294.483 4.781 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CC[C@@H]1C1CC1 1876569982 LRIGVPVNRBZWLT-SJORKVTESA-N 283.525 4.767 30 10 CJEE C=C(C)CN(CCC[C@@H]1C[C@@H]1C)Cc1ccccc1 1880948127 NVMWFEMNLYNGIG-FUHWJXTLSA-N 257.421 4.501 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC[C@H](C)C1 1880974965 CIJJLZDPXNULIU-WMZOPIPTSA-N 257.421 4.501 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cccc(Cl)c1 1881292526 YKBWEUWAZKZQEV-UHFFFAOYSA-N 271.791 4.528 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H](F)C1CCCCC1 1882090628 JVYVZOBBFTYNQL-GOSISDBHSA-N 275.411 4.593 30 10 CJEE C=CCN(Cc1ccc2sccc2c1)C1CCCC1 1884688465 FMEIWFWDSZANCX-UHFFFAOYSA-N 271.429 4.832 30 10 CJEE CC#CCCCC[C@H](NCC)C1C[C@H](C)C[C@@H](C)C1 1885245870 YENHPTZPOJOCHT-NUJGCVRESA-N 263.469 4.621 30 10 CJEE CCCCCCCN(C)CCOc1cccc(Cl)c1 1887060382 BSIOHPAKUOTXCP-UHFFFAOYSA-N 283.843 4.621 30 10 CJEE CCCCCCCCN(CCCC)[C@@H]1CCCOC1 1888825124 TZVKFAJJOZCRBN-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=CCC(CC=C)SCC(Br)=C(C)C 1888964931 JKXRCFBSZMNGAY-UHFFFAOYSA-N 275.255 4.929 30 10 CJEE C=CCC(CC=C)Nc1cc(Br)ccc1C 1900997174 NICVGHVIIRSEBB-UHFFFAOYSA-N 280.209 4.690 30 10 CJEE CCCCCCCC1(CNC)CC2(CCCC2)C1 1912569015 VDXGGAZJVKRSON-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE CCCCCCCCC[C@@H](NC)C1CC2(CCCO2)C1 1912623072 AGWZFBKJRLQUFJ-LXPRWKDFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[S@](=N)(=O)c1ccc(OC)cc1 1917877922 QIISXFHYEUFHBM-FQEVSTJZSA-N 297.464 4.851 30 10 CJEE CCCCCCCC[S@](=N)(=O)[C@@H]1CCC[C@H](C)C1 1917915146 FFBYDVDPHYWYHD-DAYGRLMNSA-N 273.486 4.972 30 10 CJEE O=C(C1=CCCC1)C1(O)CCCCCCCCCCC1 1919045431 RKVPZFFCNPTQRK-UHFFFAOYSA-N 278.436 4.702 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(C#N)CCC[C@@H](C)C1 1921095903 TUKMLZYPLJTFIS-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccnc2)C1 1921696139 CWIGPERSEUWAAU-NFAWXSAZSA-N 274.433 4.528 30 10 CJEE C=C([C@H](CCCc1ccccc1)NCCC)[Si](C)(C)C 1922863059 NZOFGDWHJSFDOM-SFHVURJKSA-N 289.539 4.811 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(Cl)c(F)c1F 1923498382 NNIQVOQNPZZCLS-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE CCC(CC)C[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 1926194498 XHMVLGJTUUFHJH-HNNXBMFYSA-N 279.468 4.920 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cscc1OCc1ccccc1 1934834678 YSTJKEUPKRRRKJ-CXAGYDPISA-N 288.412 4.573 30 10 CJEE 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HKFXSYZQOADPPC-UHFFFAOYSA-N 273.445 4.926 30 10 CJEE CC(C)(CNc1ccc(C#N)cc1Cl)C1CCCC1 1971681059 FFZLZQUYWFFCBR-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE C=CC1(CC(=O)c2cc(Br)sc2C)CCC1 1980011679 CMQZQEYAFKHATQ-UHFFFAOYSA-N 299.233 4.748 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(Cl)ns1 2002112884 SWWHNSANYDMDOF-NSHDSACASA-N 274.861 4.808 30 10 CJEE C=CC1(CC(=O)c2cc(F)cc(Br)c2)CCC1 2002616457 NUGSHZBZZSEDPT-UHFFFAOYSA-N 297.167 4.517 30 10 CJEE C=CC1(C[C@@H](O)c2c(C)cccc2Br)CCC1 2002633564 OLLOHQDYSVLJRK-CYBMUJFWSA-N 295.220 4.537 30 10 CJEE C=CCCCC[C@H](N)CSc1ccc(Cl)cc1 2009489992 PIKNJXUVMLJWSL-ZDUSSCGKSA-N 269.841 4.506 30 10 CJEE CCCCCCCCCN1CCC[C@H](SC)C1 2019206817 BCHUIMMZYKWULM-HNNXBMFYSA-N 257.487 4.564 30 10 CJEE CC=C(CC)C(=O)c1cc2cccc(Br)c2o1 2020913869 NNIDJOQIDIZDOH-UHFFFAOYSA-N 293.160 4.734 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCS[C@@H]1C 2026309710 HVLQATUEEARYOR-HUUCEWRRSA-N 256.455 4.550 30 10 CJEE CCCCCCCCSCc1ccc(C(=O)O)o1 2028955659 QDDPFNXXEDXXSU-UHFFFAOYSA-N 270.394 4.572 30 10 CJEE 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CC[C@@H]1C[C@@H]1CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2343420438 KOCBZKBMROCGIA-BREBYQMCSA-N 296.197 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCC#CC)NCCC 2344384763 XWYUQAANIDTMAK-MSOLQXFVSA-N 263.469 4.931 30 10 CJEE CCSc1cccc(O[C@@H]2CC[C@H]3CC[C@@H]2C3)c1C#N 2354083373 CKGYZVGNYHAMBO-UMVBOHGHSA-N 287.428 4.628 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C[C@@H]2C[C@H]2C2CCOCC2)C1 2357823443 BFIZWKCLMOURCR-LEUOFYLZSA-N 275.436 4.549 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(N)C[C@@H]2CCCC[C@@H]21 2359728643 SRGGVTBZYNAHKJ-XYJFISCASA-N 279.468 4.604 30 10 CJEE Cc1ccsc1/C=C1\CC[C@@H](C2CCCC2)C1=O 247625 OKAJPBHKYZZEGW-UELRPHRMSA-N 260.402 4.609 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1cccc(C#N)c1 20550006 WZQIHLUQDGNQKE-QGTPRVQTSA-N 271.404 4.536 30 10 CJEE CCC[C@@H](Nc1cccc(OCC#N)c1)c1ccccc1 37069462 XZJRKZRFLOBYTF-GOSISDBHSA-N 280.371 4.542 30 10 CJEE CCCCCCCCOc1cc2nc(C)sc2cc1N 59266806 RTBPJCZSWSPCPO-UHFFFAOYSA-N 292.448 4.926 30 10 CJEE CCCCCCCCNc1cc([N+](=O)[O-])ccc1F 59456514 ANUGMRXMCWMEAI-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(C)cc1C 59526343 ZXXYJLCKJSEGRA-UHFFFAOYSA-N 276.420 4.863 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 62610365 JVWSZHBAXVDAQW-FZMZJTMJSA-N 295.785 4.872 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 70168554 VHRNOOJWELXCGY-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCc1oc(-c2ccc(Br)cc2)cc1C#N 77080970 PEIOLGVSTWQHOL-UHFFFAOYSA-N 290.160 4.533 30 10 CJEE CCCC1(CCC)CC(C#N)(c2cccc(F)c2)C1 86541432 QPPPNEYMWOGFQI-UHFFFAOYSA-N 259.368 4.967 30 10 CJEE CCCn1c(-c2cccc(Cl)c2)nc2cc(C#N)ccc21 86636210 JDQYHMWSVLGNRA-UHFFFAOYSA-N 295.773 4.638 30 10 CJEE Cc1cc(C(=O)[C@H](C#N)c2ccc(Cl)cc2)sc1C 87567352 ZVDZQWGRDHNHJI-CYBMUJFWSA-N 289.787 4.508 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87973461 MHSPVHQOXBKTIX-FZMZJTMJSA-N 267.294 4.578 30 10 CJEE C=CCCNc1ccc2cc(Br)ccc2c1 88121837 NOHIASLDKQDHPD-UHFFFAOYSA-N 276.177 4.590 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876015 FFZQLFJMZUKWDO-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE COc1cc(C)ccc1OCC1(CS)CCCCCC1 94583488 CLLPMGSKGUOACB-UHFFFAOYSA-N 294.460 4.653 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1ccoc1 94868908 WELKIXQJYNGFJV-LBPRGKRZSA-N 259.374 4.731 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)cc1 97208424 SQGIUQOFGUPTJQ-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C=C(CC)C[C@H](NCCC)C1CCC(CC)CC1 97208866 CIHUVWPLNANNEW-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CN(CCCCCCCCCS)CC1CCCC1 97799108 BSGVZALPGYEBRA-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CCCCCCCOc1ccc(CNCCCC)cc1 100027587 MOPJFJZGCLCBAR-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE Cc1cc(C)c(OCC(C)C)c([C@@H](C)CCC#N)c1 107666181 GTHSLIMPVUWVLZ-AWEZNQCLSA-N 259.393 4.746 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H](C)CC 109443977 JYEHGKXXTGHMDV-OAHLLOKOSA-N 255.446 4.822 30 10 CJEE N#Cc1cnc2ccccc2c1Nc1ccc(Cl)cc1F 110255760 BFFKBRYNFZILSK-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C[C@H]1CCCC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 110256729 CFPSEYVURZVXDK-AAEUAGOBSA-N 296.336 4.815 30 10 CJEE Cc1cccc(N(C)c2ccc(C(F)(F)F)cc2C#N)c1 110257677 DYRRGJOJYGLHLL-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCCCCCCCCCN(C)Cc1cccc(N)c1 110368988 PFBHRUPYSFCKMX-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CCCCCCCCCCCCN1[C@H]2CC[C@@H]1CC(O)C2 111394608 NLSZTKKJBUNJKR-DFNIBXOVSA-N 295.511 4.895 30 10 CJEE CCCCCCCC(=O)c1ccc(N)cc1Br 112351906 IIFNIFGAPJWOBW-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@@H]1C(C)C 114058690 MSHBNIKYIJWORR-RTBURBONSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCc1nc(-c2ccccc2)n[nH]1 115858686 YUFATJCTLLYXDR-UHFFFAOYSA-N 271.408 4.765 30 10 CJEE CCCCCCCC[C@@H](CO)c1cccc(F)c1 118857772 CFHZILNFQHKUGQ-HNNXBMFYSA-N 252.373 4.652 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](O)c2cc(OC)ccc2O1 121977179 GSMVEPQSDDFMNC-WMZOPIPTSA-N 292.419 4.630 30 10 CJEE Cc1ccc(Nc2c(F)cc(C#N)cc2F)cc1Cl 133932017 JJRQGOHAKVKZFZ-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC1(CNCCC)C[C@@H]2C[C@@H]2C1 157455174 DGKPTRRXQVNKSA-SJPCQFCGSA-N 251.458 4.763 30 10 CJEE C[C@@H]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 158343464 ZEGCOVNZGJZVEH-VXGBXAGGSA-N 296.336 4.815 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1ccnn1C 159816577 LNLZSXIKYOCGHI-QGZVFWFLSA-N 280.456 4.765 30 10 CJEE C=C(C)CC[C@@H]1CCCCC[C@H]1CNC(C)(C)C 164930090 OYOBNGDKPKHINK-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)cc(Br)c1 203379208 RHABPHNKBRYHPP-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 211864147 ZZZNGHNBJPAFBZ-LBPRGKRZSA-N 295.785 4.872 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H]2CCCC[C@H]21 217985951 MZSTTWGOWLTRCD-OTWHNJEPSA-N 294.527 4.719 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2c(C)cc(C)cc2C)C1 218367358 DHUKZVSHDONHNQ-NEWSRXKRSA-N 285.431 4.755 30 10 CJEE CCCCCCCOc1ccc(F)cc1CNC(C)C 222491012 FWPNUEVXZPHBKN-UHFFFAOYSA-N 281.415 4.673 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC1(CS)CCCC1 227281660 QRWCTAKIIWPSJJ-PMPSAXMXSA-N 284.509 4.954 30 10 CJEE CCCCCCC[C@H](O)c1c(Cl)cccc1OC 228768927 VUTAAOIPAOWYGU-ZDUSSCGKSA-N 270.800 4.743 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc2ccc(F)cc2s1 229739289 ZUAKXAPNESUXOL-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CCCCCCCCNC1=N[C@@H](C(C)(C)C)CCS1 231099345 ZNVDUYGMFITGNQ-CQSZACIVSA-N 284.513 4.844 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C)c(F)c1F 231753956 HQESFWAKRICGMV-CQSZACIVSA-N 284.394 4.528 30 10 CJEE CC(C)CN(c1ccc(C#N)c2ccccc12)C(C)C 232569376 UVUBYWYNZYNGMZ-UHFFFAOYSA-N 266.388 4.582 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232936655 NXYBJAKSOAEYCZ-MCIONIFRSA-N 294.405 4.548 30 10 CJEE CCCCCCCCNc1ccc(Br)nc1C 232943246 CXLVXRACSRTBDN-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(F)c2ccccc12 234461231 DPGCYUVBNZZUST-QGZVFWFLSA-N 257.352 4.596 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Br)ccc1C 235769746 FYEATPJPSACGHY-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE N#Cc1ccc(Sc2ccccc2)c2ccccc12 236183705 LYBBSMLDMQSFJI-UHFFFAOYSA-N 261.349 4.863 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 249039962 YTKPXIBXWPTQMU-FVQHAEBGSA-N 283.415 4.523 30 10 CJEE CCCCCCCCOc1cccc2c1CCC2=NO 252430544 WMDFQUWBMCKUKL-UHFFFAOYSA-N 275.392 4.550 30 10 CJEE N#C[C@H](NC1CCCCCC1)C1CCCCCCC1 311282353 FHKCVGUDSAERHM-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE N#CC1(C[C@H]2Cc3ccccc32)CCCCCCC1 311605028 OYVBFFMHOCMIKB-MRXNPFEDSA-N 253.389 4.971 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C1CCC(C(C)C)CC1 312227234 INPDCZPSLGDEKH-ABHNRTSZSA-N 277.496 4.867 30 10 CJEE CCCN[C@H](CCCC#CC(C)(C)C)c1ccccc1 312253483 XEHSMKKFVRTCKI-GOSISDBHSA-N 271.448 4.947 30 10 CJEE C=CCCCCCCNc1ccc2ncccc2c1[N+](=O)[O-] 320162684 WAPDDHZQNFHLPQ-UHFFFAOYSA-N 299.374 4.691 30 10 CJEE CCCCCCC[C@@H](CN1CCCCCC1)NCCC 328077091 FWLNBVDWNUSFGS-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=C([C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(F)(F)F 380193502 XDRQZTAJSDWVNO-XQLPTFJDSA-N 289.385 4.690 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(C)ns1 382214154 JGATVJGNJACQQU-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCC(=NO)c1ccc(OCCCCCC(C)C)cc1 383192349 XBDHPASBHSGSEX-UHFFFAOYSA-N 277.408 4.870 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC[C@@H]2C)CC1 384756688 PHYFVXWRLMMGJF-XWTMOSNGSA-N 277.452 4.674 30 10 CJEE C=CC(C)(C)CN[C@H](c1ccco1)c1ccc(Cl)s1 384839037 HWNGCNHPVSRSKC-CQSZACIVSA-N 295.835 4.886 30 10 CJEE CCCC1CCC(C#N)(Cc2ccnc(Cl)c2)CC1 388971366 VWSUIBADNOZQTB-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE C(=Nc1c(-c2ccccc2)nc2ccccn12)c1ccccc1 390826119 CEECUFSVAZYHSK-UHFFFAOYSA-N 297.361 4.752 30 10 CJEE Cc1ccc(N=C2N[C@@H](CC(C)(C)C)CS2)cc1Cl 393529744 VLPPGAZVRCFOCQ-LBPRGKRZSA-N 296.867 4.777 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCc2sc(Cl)cc21 398076556 BUGARAWLDMDRCM-PWSUYJOCSA-N 269.841 4.723 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCC[C@H]2CCOC2)CC1 401016213 VAGPHSVRVBHSRG-HJOIGYKYSA-N 277.452 4.939 30 10 CJEE CC(C)c1cnn(CCCCCCCCCS)c1 402108943 DTUIUTYFSJHKKQ-UHFFFAOYSA-N 268.470 4.667 30 10 CJEE CCCCCCCC(=O)CCc1c(F)cccc1F 402943741 NZDHBKUVWLGBGX-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)Sc2ccccc21 464537335 GBWWKTPOBRSQSL-UONOGXRCSA-N 289.444 4.506 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CCCc1ccccc1 466429342 XMGXQWSFUXSKCA-PKOBYXMFSA-N 299.458 4.603 30 10 CJEE C=CCC1(C(=O)Nc2csc3ccccc23)CCC1 480580069 MPYOSXOVZADKBQ-UHFFFAOYSA-N 271.385 4.586 30 10 CJEE N#CCc1cc(F)cc(-c2c(Cl)cccc2Cl)c1 514262670 VUAOENGWEWTFJW-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@@H](C(C)C)CC1 686682989 ROKREIXUCKOOTD-IAGOWNOFSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(F)ccc1C 686692693 JXQGIOCBPXASNS-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C[C@H]1CC(/N=C2/NC3(CCCCC3)CCS2)C[C@H](C)C1 687319710 GYEILLBDXMUTEP-ZIAGYGMSSA-N 294.508 4.597 30 10 CJEE CCc1ccc(CC)c(Nc2ccc(C#N)c(C)c2)c1 689597353 QWVKJISKJBNDIF-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CC12CCOCC2 689901262 OCMODTGMMJOIEO-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)(C)C)CCOC1(C)C 693256387 ZARODNTVLPRXNI-SFHVURJKSA-N 281.484 4.696 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCOC2CCCC2)C1 699958357 BGRSVEBOJSVVBM-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 702283465 ZDJWOOSSEYUKID-RHSMWYFYSA-N 257.421 4.509 30 10 CJEE CCCCCCCN[C@H](C)c1cc(F)cc(F)c1 703766523 XSIHXDBIASEPCZ-GFCCVEGCSA-N 255.352 4.586 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccccc1C(C)(C)C 710640188 GBJACIDTXMOGSD-OAHLLOKOSA-N 265.828 4.777 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCC[C@H]2CCCC[C@@H]21 714316802 UDACAOIONZBDGY-IXDOHACOSA-N 276.468 4.655 30 10 CJEE CCC[C@H](Nc1cc(F)cc(C#N)c1)c1ccccc1 718565383 RMXZEZJGCSHKGA-KRWDZBQOSA-N 268.335 4.651 30 10 CJEE CC(C)(C)[C@H](CS)COC1CCCCCCC1 721133339 BCNYZNKZOGBGET-ZDUSSCGKSA-N 258.471 4.708 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(OC(C)C)c2)CC1 724558760 JZPJFZDYSNHRFP-SFHVURJKSA-N 273.420 4.610 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(F)c(C)c2)CC1 724581717 FMDKEXZGNDGKHJ-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@H](C3CCCC3)CCS2)C1 725080749 OCNOANBPOKPVQC-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1128322293 WHZYJUNTAZHRBM-KBAYOESNSA-N 286.415 4.777 30 10 CJEE CCCCCCCCCN(C)CCC(F)(F)F 1167145287 BHWWMTCGIYFQRY-UHFFFAOYSA-N 253.352 4.621 30 10 CJEE C=CCCN[C@@H](c1oc2ccccc2c1C)C(C)C 1168733554 LDADZNSJSDCWHG-MRXNPFEDSA-N 257.377 4.604 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC12CCC(CC1)C2 1169953815 VNVNWFOZPFCJGM-UHFFFAOYSA-N 269.432 4.645 30 10 CJEE C=CCC1(NCc2cccc(-c3cccnc3)c2)CCCC1 1179158800 CFAGTVGIOYOHAB-UHFFFAOYSA-N 292.426 4.727 30 10 CJEE C=CCC1(N[C@H]2CC[C@](C)(c3ccccc3)C2)CCCC1 1182902439 MLBCKDGQVQHEII-OALUTQOASA-N 283.459 4.975 30 10 CJEE CCCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@H](C)C1 1194713719 BNFORKRKUGCMRR-FXAWDEMLSA-N 298.474 4.933 30 10 CJEE C=CCCCCCN1CCCc2ccc(F)c(C)c21 1195242069 TYIRLZVZWFNKDY-UHFFFAOYSA-N 261.384 4.633 30 10 CJEE CCC1(C)CCC(Nc2cc(C)cc(C#N)c2)CC1 1206269307 AJZHQOUTCOBCSF-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)cc2F)c(Cl)c1 1207704776 UBJXRTKFKBAWAX-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE N#CCc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)n1 1235908928 KCSSEFGXCJTLER-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCC[C@H](C)NCc1c(C)noc1C 1258231175 JIPRSEGNQMVSAY-AWEZNQCLSA-N 280.456 4.910 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](C)CC(C)C)c1ccccc1 1279070578 TVTIVCNWSMDUFR-GOEBONIOSA-N 260.377 4.529 30 10 CJEE C#CC[C@@H]1CCN(C(=O)C[C@@H](C)CCCCCCCC)C1 1280468104 PJUIACWEWSFSIV-ZWKOTPCHSA-N 291.479 4.635 30 10 CJEE C=CCCCN1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 1307655221 LDKBZWBCDKSFBI-SFHVURJKSA-N 271.448 4.641 30 10 CJEE C=CCCCN1C[C@H](C(C)(C)C)Cc2ccccc21 1308000369 SWFPGNDWDKQNIQ-MRXNPFEDSA-N 257.421 4.678 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CCCCC1 1353021803 KGNQARLXVWPJRY-JKSUJKDBSA-N 277.452 4.550 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(C)C)cc2)CCCC1 1355598022 OXAUPEVKBRWZIF-UHFFFAOYSA-N 271.404 4.885 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@H](CC)Cc1ccc(C)cc1 1361241047 VUIJXHOKYYLZDR-LJQANCHMSA-N 299.458 4.543 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccccc1 1435622346 SOGIMVAWUCZZSC-GOSISDBHSA-N 297.373 4.571 30 10 CJEE C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]1CCCC)c1ccccc1 1455968411 VOPMLSGARYNPJV-BHIYHBOVSA-N 299.458 4.821 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H](C)c2ccccc2C)CCCC1(C)C 1459680286 HMVNPURLOAFVOS-SJLPKXTDSA-N 299.458 4.692 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)[C@@H]1CCCC[C@@H]1C 1462561113 GXRQSBWMSNBMBT-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H]1N(Cc2cccc3ncccc23)CCCC1(C)C 1473431901 IJNBHEZJAGIVSB-LJQANCHMSA-N 294.442 4.802 30 10 CJEE C=CCC1(NCCSC2CCCCC2)CCCCC1 1473719756 PISNDHOUXSWEHQ-UHFFFAOYSA-N 281.509 4.921 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCCO[C@H]1CC(C)C 1474464996 WNJXIFWCUKCENW-BZSNNMDCSA-N 281.484 4.695 30 10 CJEE C=CCC1(NC(=O)C[C@H](CC)c2ccccc2)CCCCC1 1521567470 QVFXPQFVIVUAOT-KRWDZBQOSA-N 299.458 4.966 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1527769594 RHIDIJTZRKHXJH-KYHPRHEASA-N 286.415 4.714 30 10 CJEE C=CCCCCCCCNC(=O)/C=C(\C)C(C)(C)C 1527924300 QCBVFIGJWICBSI-CCEZHUSRSA-N 265.441 4.622 30 10 CJEE CC#CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 1531301797 VRAVNKLDYNVBQX-FQEVSTJZSA-N 299.458 4.817 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C 1532344914 MPWFOKSABSFSDE-MAUKXSAKSA-N 287.447 4.801 30 10 CJEE 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2120539434 WWYYSMUKAXNPDX-UKRRQHHQSA-N 268.347 4.662 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1SCC1CC1 2121640042 NTEOPFLYIITVKJ-IXDOHACOSA-N 271.429 4.606 30 10 CJEE CC[C@@H]1CC=C(C(=O)C23CCC(CC2)C3(C)C)CC1 2125192613 JXOOPDPIZDLVQB-MJJDPTRDSA-N 260.421 4.908 30 10 CJEE C=C1CC([C@@H](NCCC)c2ccc(Cl)c(C)c2F)C1 2125664304 AVNGGZDWEYXHQC-MRXNPFEDSA-N 281.802 4.794 30 10 CJEE C=CC[C@](C)(Nc1nc(C)c(C(C)(C)C)s1)C(F)F 2125761200 IMCBWUDMPAOJOQ-AWEZNQCLSA-N 288.407 4.761 30 10 CJEE CCCCCCCC[C@H](O)c1c(C)cccc1OC 2126872025 DWDLKGNLDNMRRT-HNNXBMFYSA-N 264.409 4.788 30 10 CJEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1occc1C 2127188405 KJOMRZMLKZIWJW-AWEZNQCLSA-N 274.751 4.676 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1occc1C 2127197859 NWBKKFUZKHOSPF-PMPSAXMXSA-N 261.409 4.764 30 10 CJEE CC1(C)CC2(CC([C@]3(C=O)CCCCC3(C)C)C2)C1 2127319246 GEDXIIZVRHTKFZ-GOSISDBHSA-N 262.437 4.988 30 10 CJEE N#C[C@@]1(CC2(F)CC3(CCC3)C2)CCCC12CCC2 2127933767 MLGUQFINGXAAAN-INIZCTEOSA-N 261.384 4.913 30 10 CJEE C=CC1(CNC(C2CCCC2)C2CCCC2)CCC1 2129329729 RQHZTHRSEDKDTE-UHFFFAOYSA-N 261.453 4.681 30 10 CJEE CC[C@@H](CCC(C)C)NC[C@H](C#N)C1CCCCC1 2129530867 LMGVWRGEBLPZJB-IRXDYDNUSA-N 264.457 4.511 30 10 CJEE CC1(C[C@]2(C#N)CCOC23CCCC3)CCCCC1 2133784677 UCBFYYRMIUORSI-INIZCTEOSA-N 261.409 4.590 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC[C@H](CC)O1 2136766434 FBJGJFUDLTUHIW-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@H](NCC)[C@]12CCC[C@@H]1CSC2 2137234460 YYWMFFFNWZOTHK-IKGGRYGDSA-N 281.509 4.634 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2138953916 FCCKTNWLABDKIG-KSZLIROESA-N 263.469 4.621 30 10 CJEE CCCCC#CC[C@H](NCC)c1cccc(SC)c1 2138983731 IPHXBQHGXUVFQT-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE CCCCCC#CC[C@@]1(CNC)CCCCC1(C)C 2138987816 QLIYYGWTSUZGCF-SFHVURJKSA-N 263.469 4.766 30 10 CJEE CCCCCC#CC[C@H](N)C(CC)(CC)C(F)(F)F 2138989163 BPLRJJCIYVCGQD-ZDUSSCGKSA-N 277.374 4.656 30 10 CJEE CCCCCC#CC[C@@H](NCCC)C(C)(C)C1CC1 2139010019 YWSVPOPBRYDYHN-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc(OC)cc1C 2142000748 YATKFMNHDCDCHA-QGZVFWFLSA-N 262.393 4.564 30 10 CJEE C=CCCCCCCCCN1CCCC[C@H](C)C1=O 2142392315 GWEIUEDHRDQFRF-INIZCTEOSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CCC[C@H](C)N 2142452858 LTLKZDJBLMOELF-DLBZAZTESA-N 269.473 4.562 30 10 CJEE CCCCCCCCCC[C@@H](O)c1c(F)cncc1F 2143959033 VARHEFJFTAQKTI-OAHLLOKOSA-N 285.378 4.924 30 10 CJEE Cc1ccc(C#N)c(NCC(C)(C)C2CCCCC2)c1 2144285353 SXFMWRRNQDKYOG-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](NCC)C(C)(C)CC 2147468910 LGIKAWAIRZEHCU-SJORKVTESA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@H]1CCCC[C@H]1C 2147886832 FEGMNCMANXFFMD-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@@]1(C#N)c1ccc(C(F)(F)F)cc1F 2149427292 FQAVHRAGPPDHDH-CQSZACIVSA-N 285.284 4.816 30 10 CJEE FC(F)Sc1ccccc1NCC#CC1CCCCC1 2149849730 IWUUGJKTSQMREJ-UHFFFAOYSA-N 295.398 4.997 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC(C)(C)CCN1 2154462289 IYUJCSNSIXEVKQ-MRXNPFEDSA-N 281.484 4.865 30 10 CJEE N#CCCN(c1ccccc1)[C@H]1CCC2(CCCC2)C1 2155210772 CKCXMLNXMFKDKI-KRWDZBQOSA-N 268.404 4.520 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@](C)(O)Cc2ccsc2)CC1 2157107442 SDEPQZSKANEGQH-IRXDYDNUSA-N 291.460 4.542 30 10 CJEE Cc1cccc(N[C@H](C#N)C2CC3(C2)CC(C)(C)C3)c1 2158848411 YMESITUKJWAVRH-MRXNPFEDSA-N 268.404 4.516 30 10 CJEE CCCCCCCCCO[C@H](CNC)C1CCCCC1 2167594714 DNGAJKWWZLFXJV-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CC1(C#N)CCCC1 2168534100 YDTKPMFGBDQPIK-CVEARBPZSA-N 276.468 4.607 30 10 CJEE CC(C)CC[C@@](O)(C1CC1)[C@]1(C#N)CCCC(C)(C)C1 2168548269 NRXOEVSALRGIMY-QZTJIDSGSA-N 277.452 4.674 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)[C@H]1CCCC(C)(C)C1 2168634713 ONRNNOMXPRUODS-CABCVRRESA-N 270.420 4.884 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)C[C@@H](CS)CC1CC1 2169162099 KTUHIOOWZURUDE-PVAVHDDUSA-N 297.552 4.869 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H](O)c2ccccc2Cl)C1 2169746145 YALJVLLISBNGGT-DOTOQJQBSA-N 294.822 4.549 30 10 CJEE C=C[C@H](C)C[C@H](CCCOC1CCCCC1)NCCC 2173290872 SCVVINOUXJJYRZ-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccn(CCC)n1 2173478984 XGOJUWQFLGKHHR-INIZCTEOSA-N 279.472 4.824 30 10 CJEE C=C1CCC(C[C@@]2(CNC3CC3)CCCC23CC3)CC1 2173604692 GBHXWNCUKAKQNZ-LJQANCHMSA-N 273.464 4.825 30 10 CJEE N#C[C@@]1(Cc2ccc3c(c2)CCCC3)CCCC12CC2 2173620587 YWPKDRPDORDYNR-IBGZPJMESA-N 265.400 4.582 30 10 CJEE CC1(C)CC[C@@H](C[C@@]2(C#N)CCCCC23CCC3)OC1 2173627826 CAILXRVAQOMSNL-MAUKXSAKSA-N 275.436 4.836 30 10 CJEE CNC[C@]1(CC#CC2CCCCC2)CCCCC1(C)C 2173639423 NOBZULJDWZBFJD-LJQANCHMSA-N 275.480 4.766 30 10 CJEE O=C[C@@]1(CCCOC2CCCC2)CCCCC12CCC2 2173672756 JAIQIMQXAZHIIU-SFHVURJKSA-N 278.436 4.655 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1[C@@H]2CCCO[C@H]21 2176436649 ZXNYYZALZJBSQB-XLAORIBOSA-N 281.484 4.530 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2ccc3sncc3c2)C1 2177217702 DVMDMZSCYVZETH-QGZVFWFLSA-N 287.428 4.624 30 10 CJEE Cc1ccc(C(=O)C2=CC[C@H](C)CC2)cc1C(F)(F)F 2181254705 UEVAQKNYKKROFU-JTQLQIEISA-N 282.305 4.943 30 10 CJEE CCc1cccnc1C(=O)C1=CC[C@H](C(C)(C)C)CC1 2181672192 GKOGTPPNODEKGA-HNNXBMFYSA-N 271.404 4.599 30 10 CJEE CC1(C)CCC(CNc2cc(Cl)c(F)cc2C#N)CC1 2184451180 BDTRELQFTHSWBS-UHFFFAOYSA-N 294.801 4.979 30 10 CJEE CCCCCCC[C@@](C)(OC1CC(C(C)C)C1)C(=O)O 2188212062 DJVVSZJGPZJYSF-VMBOVVBDSA-N 284.440 4.641 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](C)c2cccc(Cl)c2)c1 2188840674 MXLYWVQMWKFZKN-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](C)C2(C)CCCCC2)c1 2188848902 PSMWGFCPBCXIKF-AWEZNQCLSA-N 270.420 4.891 30 10 CJEE C=CC1(CNC2CC(c3ccccc3Cl)C2)CCCC1 2189515139 QUUYWQMWXOHFIZ-UHFFFAOYSA-N 289.850 4.922 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)C1CC(C2CCCCC2)C1 2189989140 QBOOLXPEEHSPSJ-CGZBRXJRSA-N 297.552 4.869 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CC1(CCC)CC1 2195255232 XFDCFSOBXFLAAT-IRXDYDNUSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCN1CCO[C@H](CC(C)C)C1 2195668356 AELLWUHUWGKAPN-GOSISDBHSA-N 283.500 4.874 30 10 CJEE C=CC[C@H]1CCCCN(CCC=Cc2ccccc2)C1 2195946685 XLIRYHCPSXHATJ-IBGZPJMESA-N 269.432 4.768 30 10 CJEE CC#CCCCC[C@](C)(CNCCC)c1ccccc1 2196170890 DHKKWSTWTQCHAK-LJQANCHMSA-N 271.448 4.528 30 10 CJEE CC(C)(C)C#CC[C@@]1(N)CCCC[C@H]1C1CCCCC1 2196595107 MJMNSFRXDPBRPZ-HKUYNNGSSA-N 275.480 4.894 30 10 CJEE C=C(c1ccccc1)[C@@H](CSC1CCCCC1)NCC 2197143075 XEUXHGZZHOAMHX-GOSISDBHSA-N 289.488 4.744 30 10 CJEE CC(C)CN(C1CCCCC1)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 2197167053 WUSGBTWKCUMWFO-LZLYRXPVSA-N 276.468 4.605 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@H]1C1CCOCC1 2200170180 YXYGKISYXMYSKL-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE N#CC1(C[C@@H]2C[C@H]2C2CCOCC2)CCCCCCC1 2200485943 BMOYKIGKDIMVQF-IRXDYDNUSA-N 275.436 4.693 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@H]1CCCCC12CC2 2203786072 CLWJBZIKFGCBGV-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCCCCC#CCSc1cccc(CNC(C)C)c1 2203787100 ZUOBLOMJINWOKS-UHFFFAOYSA-N 289.488 4.860 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(OCC)nc1 2204725231 ONVBXMMKVNCAMQ-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@]12C[C@](C)(CO1)C2 2205173364 ANWAAOYCQYWQEG-KURKYZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCCN1CC[C@]1(C)CCN 2205512760 DFIKURFZEORPGN-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCCCCCCO[C@]1(C(=O)O)CC[C@@H](C(C)C)C1 2206111676 ZIAHKKLIDOPIPD-NVXWUHKLSA-N 284.440 4.643 30 10 CJEE NCCCCCC#Cc1ccc(C2CCCCC2)cc1 2206239636 BAYMRTQEUBHQMB-UHFFFAOYSA-N 269.432 4.605 30 10 CJEE C=CCCCCCCN(C)[C@@H](c1cccnc1)C1CC1 2206894300 IRNMWPTZZQUHBD-GOSISDBHSA-N 272.436 4.601 30 10 CJEE C=CCCCCCC[C@@H]1CC[C@H](COC)[C@H](NCC)C1 2206903239 QJZVNBRDMZVGRO-KZNAEPCWSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@]12C[C@](CC)(CO1)C2 2207397615 VCLSKEYJTQTIML-KURKYZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCNC1([C@H]2CCCO2)CC1 2207407647 FFPYFGHMDJMPNX-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CC[C@H]1COC 2207421922 VXPFHUVAQNAHIP-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1CCCOCC1 2207442338 QCSNVUWYHRDTCU-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1CCCC[C@@H]1N 2207443251 YLESAXNFIKJLKC-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](CN)N1CCCC1(CC)CC 2207468726 JZZNSRQITWNUEO-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CC[C@H]1C(F)(F)F 2217760472 BAQMBENEIDTOOW-FRRDWIJNSA-N 265.363 4.653 30 10 CJEE CC[C@@H](C)CC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2220268687 MNYGMHLRKHPRSR-KOLCDFICSA-N 284.186 4.606 30 10 CJEE C[C@@H]1C[C@@H]1CCC1(C=O)CCC(C(C)(C)C)CC1 2220843809 LFSLOYMCXXSGTD-JFBXJRRNSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H](C(C)(C)C)C1 2222268301 SWEYFMJQITUXST-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)CC1CCC1 2222815100 MYAJOBYNRICZNG-GOSISDBHSA-N 273.486 4.974 30 10 CJEE CCCCCCCCCOC[C@H](N)C(C)(C)CC 2223189219 XCNRBNNAYMDUMH-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(F)c(Cl)cc1N 2223241625 JYNDIHURXBWAAE-SNVBAGLBSA-N 271.763 4.575 30 10 CJEE C=C[C@H](CCCCC)OCc1cc(C)nc(Cl)c1 2223284509 DMOVJYDRONXAJJ-CQSZACIVSA-N 267.800 4.695 30 10 CJEE C=CCCCCCCNc1cnn(C(C)C)c1Cl 2223838815 MWUKXOKCZZKYSV-UHFFFAOYSA-N 269.820 4.666 30 10 CJEE C=C[C@@](N)(CCC)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225272164 GNJJWBCDFILVBY-APIJFGDWSA-N 271.395 4.522 30 10 CJEE CC1(C)CC[C@H]1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227502712 ZBUHRDOEACMKRR-MNOVXSKESA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCCOCC[C@@H]1CCNC1 2231074757 UMPPVVAKCGKNQG-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CCC=C(C)C 2231926801 YYFBWOKBOAHGPE-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CCCCC[C@@H](NCC)[C@H](C)c1ccc(C)cc1 2232077028 OXVNACPAGCPMJW-SJLPKXTDSA-N 259.437 4.823 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc3ccoc23)CC1 2232346146 QBFZZLPOHFPNFZ-MRXNPFEDSA-N 255.361 4.569 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1cccc2ccoc12 2232392768 FYUJQIGDUPYYNT-CZUORRHYSA-N 257.377 4.686 30 10 CJEE CCCCCCCCOc1cc(C)c(F)cc1[C@H](C)O 2232420587 XGBZTGIQRQIPFF-AWEZNQCLSA-N 282.399 4.927 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CC[C@H]1C(F)(F)F 2232579377 YSQBRHZZUQQPHY-MCIONIFRSA-N 294.405 4.548 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]2C(F)(F)F)CCCCC12CCC2 2232689602 WFGCHPZSQKLKNP-KCQAQPDRSA-N 288.353 4.895 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2OC[C@H]3CCCC[C@H]32)CC1 2233395617 VZVPKNPSORSHEG-MFJUZZNBSA-N 275.436 4.692 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233630827 XXXSXRODNMMDOM-PJXYFTJBSA-N 292.785 4.731 30 10 CJEE C=CCCCCCCCOc1ccc(C)cc1C(=O)O 2235531564 AHVRMENZXAVLBN-UHFFFAOYSA-N 276.376 4.599 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCCC[C@H]1OCC 2235534731 JHAOTAYBDYIMCT-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCN1C(=O)CC12CCCCCC2 2235536621 XBNFJJLMJLPBDS-UHFFFAOYSA-N 277.452 4.838 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](O)c1sccc1C 2235541859 MBXAEHALPAFFIR-HZPDHXFCSA-N 295.492 4.595 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1C[C@H](CN)C1 2237826066 UNVGKNPJQCWNNM-KZNAEPCWSA-N 283.500 4.643 30 10 CJEE CO[C@H]1C[C@](C=O)(CCCCCCCC2CC2)C1(C)C 2239330601 PLOFAAAMKXUBND-WMZOPIPTSA-N 280.452 4.757 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](N)CC2(CCC2)C1 2239462585 JHSKJNLFXJDKII-SJORKVTESA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](NC)[C@]1(C)CC 2239491870 FMEVOQSGTVHPHN-KURKYZTESA-N 283.500 4.920 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCCC(C)(C)[C@@H]1NC 2239502854 OYFRVDYFGIMNOE-IXDOHACOSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCCCCCOCC1CNC1 2239555065 RYJMFYGNOARKHS-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCC[C@H](NC)c1c(Cl)c(CC)nn1C 2240891515 BCCUSGWDNUUHOE-AWEZNQCLSA-N 299.890 4.647 30 10 CJEE CC1(CSC[C@H](CS)c2ccccc2)CCC1 2251756590 CZDPCOAYTNNIGR-AWEZNQCLSA-N 266.475 4.623 30 10 CJEE C=CCCSc1c(Cl)cccc1CN[C@@H](C)CC 2258992765 OLKMAOLIQJYHKX-LBPRGKRZSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCCN1CCC(C)(C)CC(C)(C)C1 2259174670 ZNVGQJIXQJDABC-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@H]1CCCCC(F)(F)C1 2259187204 JRRZWAOODZEWBQ-KGLIPLIRSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@H]1CCC(F)(F)[C@H]1NCCC 2259192211 CRIAFAKYSORPAT-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@@H](NC)C(C)(C)CC(F)(F)F 2259231860 RARQANYRXVZAHY-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE 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10 CJEE C=C(C)CCCC[C@@H](NC)C(F)(F)C1CCCCC1 2271833156 MBLPLRKVMWXFCF-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=CCCC[C@@H](C)Nc1cnc(C(F)(F)F)c(C)c1 2272557169 ZCFDEICKYKEWGC-LLVKDONJSA-N 272.314 4.566 30 10 CJEE CCCCCCCCO[C@H]1CCN[C@H](C(C)(C)C)C1 2273635203 VYUUACFWVWRWNB-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C(C)(C)CCC 2274191966 HMMCNLIBZBGHCL-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@@H](CC1CCC1)OCCN 2276222270 QAPKVHLSAJFSBG-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE SCC1(COCCc2ccccc2)CCCCCC1 2277797298 KALGJYYMWBWFFB-UHFFFAOYSA-N 278.461 4.516 30 10 CJEE Cc1sc(C(=O)C2=CCCCCC2)nc1C(F)(F)F 2278080951 PQXIEADIGCEQRD-UHFFFAOYSA-N 289.322 4.544 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCCC12CC2)NN 2281450486 OYERQXULYBRFDS-SJORKVTESA-N 280.500 4.929 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1csc(C(C)C)n1 2284097573 XLRHEUWJRGPMMM-AWEZNQCLSA-N 290.476 4.523 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@]1(C=O)CCCCC12CCC2 2287204561 GDPSYTXUTUQHFI-YJBOKZPZSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCOc1c(C(=O)OC)csc1C 2287298215 YOCUEGPAMHBKML-UHFFFAOYSA-N 296.432 4.749 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(O)CCCCCCC1 2287382957 LGDXTJIZXBLACH-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(C(C)(C)C)nc1 2287464981 FSKOMMVMNLZTHM-INIZCTEOSA-N 274.452 4.776 30 10 CJEE C=CCCCCCCCCN1CC[C@@H](C#N)CC12CC2 2288470356 AQZUIKJHGXZMNR-QGZVFWFLSA-N 274.452 4.671 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@]12CCC[C@H]1CC2 2289014649 OOBBHFALGWRKQW-BZSNNMDCSA-N 278.484 4.705 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@H]1C(C)C 2289688009 QRUOLKZWBNNYNE-IPMKNSEASA-N 275.480 4.621 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21 2289840013 KVKBWTKCMAATMT-NCXUSEDFSA-N 274.448 4.538 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1CC2(CCCC2)C1 2289858473 BRMZNLAHYAHTOA-GOSISDBHSA-N 273.464 4.519 30 10 CJEE N[C@H](CC#CC1CCCC1)c1cc2c(s1)CCCCC2 2289864543 IZUUPVNLRYAHRS-MRXNPFEDSA-N 287.472 4.601 30 10 CJEE CCCN[C@@H]1C[C@H](CC#CC2CCCC2)CC(C)(C)C1 2289874162 KIGURSJGJLQXAN-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCC[C@@](C)(C=O)CN(C)[C@@H]1CC(C)(C)CCC1(C)C 2290341920 ZOSJRKZNJASDSB-CRAIPNDOSA-N 281.484 4.528 30 10 CJEE C=CCC[C@@H](C)C1(OCCC(=O)O)CCCCCCC1 2292315798 NIRXBARSCKUSFI-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@]1(OCC(=O)O)CCC[C@@H](C)C1 2292419522 VOJJRXLTCMECDR-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCCC[C@H]1C(C)(C)C 2293362748 HMVUBWYEASMQIP-YJBOKZPZSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H]1C1CCC1 2293649230 QABQVYXLPIYYHX-MSOLQXFVSA-N 281.484 4.661 30 10 CJEE CCCCCCCC1(OCCN)CC(CC(C)(C)C)C1 2293668162 WNPCNAWFDDJKJW-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@@H]1CCC[C@H](CC)C1 2293884230 IYVGPNWIZUDOBU-KSZLIROESA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](CC)(CCCC)OCCCN 2294057811 YUDFKIXVEOVLHO-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=C(C)CC[C@@](CC)(OCCCN)c1cccc(Cl)c1 2294079115 ZHZBOZDLIYKOKT-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCCN)c1ccc(Cl)cc1 2294230601 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10 CJEE C=CC[C@H]1CCCN1Cc1cc(F)c(Cl)cc1Cl 2325191560 XFQZJUKBJBJUML-NSHDSACASA-N 288.193 4.673 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1[C@@H]2[C@H]1CCCC2(F)F 2330152245 PRRHZUPMTHEQKY-KBXIAJHMSA-N 273.411 4.759 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCC(F)(F)C1 2332782664 NFCCAHGAJHLVSX-SOUVJXGZSA-N 270.363 4.597 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1C[C@@H]2F 2333365431 LKSLFRFGQWJOIG-QAETUUGQSA-N 268.416 4.792 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C)cn1 2337111715 AEJVCDBQUZHABQ-ZFWWWQNUSA-N 258.409 4.536 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338685600 CBYZJCYWFPIULE-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)C1(CNCC)CCC(CC)CC1 2338726443 AUFJTAOGBUVBDP-UHFFFAOYSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(C(F)F)o1 2338749689 LJSPKJAEVRXJDY-AWEZNQCLSA-N 269.335 4.636 30 10 CJEE C=CC[C@H](CNC1CC1)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339086755 ONHMTLFNDOSOAR-QAETUUGQSA-N 261.453 4.537 30 10 CJEE C=C1CC(C[C@@H](CCc2cc(Cl)cc(Cl)c2)NC)C1 2341110964 QPACKEUIMUFTBY-MRXNPFEDSA-N 298.257 4.870 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1CC[C@H]1C(C)(C)C 2343186134 KAFNNODYBOOZML-LSDHHAIUSA-N 265.441 4.795 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C(F)F)o1 2344336978 NFVDKWBFDVLIIT-HIFRSBDPSA-N 271.351 4.860 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccccc1C1CCC1 2344339169 GVJQMFBUKYFDAA-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@H]1CCCC12CC2)NCCC 2344341999 GPVNBCWISBJGHQ-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)NCC 2344342163 HTJYIZKJCDXQBV-WCXIOVBPSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(CSC)cc1 2344342623 ACZSJBOPDWSGFO-INIZCTEOSA-N 277.477 4.803 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@H]1C[C@H]1C1CCCCCC1 2344379354 OGCOIRHZZLYEEJ-IXDOHACOSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(C(F)(F)F)c1 2344463612 FYAFZXSBLIUZKB-KBPBESRZSA-N 272.310 4.731 30 10 CJEE CC(C)C[C@H](CS)CN1CC[C@@H]1C1CCCCCC1 2353839634 MCSSSCKHEBQWAE-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2358323725 VZWIDTHDAFFWPH-ICBNADEASA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H](OC)[C@@H]2C1 2358948008 MFTDGMBNGUBJNX-RZFLPCETSA-N 281.484 4.529 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2359768866 TXNMROKHQLLOED-GUDVDZBRSA-N 275.480 4.909 30 10 CJEE C=CCC(CC=C)S[C@H](CC)[C@H](NC)c1ccccc1 2360202030 KGRFXJNJPBOJJJ-QZTJIDSGSA-N 289.488 4.980 30 10 CJEE C=CCC(CC=C)S[C@@H](C)C(=O)c1ccc(F)cc1F 2360375455 BFYGWKZPAZXWBE-NSHDSACASA-N 296.382 4.790 30 10 CJEE C=CC[C@@H](O)[C@](CC=C)(c1ccccc1)c1ccc(C)cc1 6788538 OSKIJTKKSVPDBV-NHCUHLMSSA-N 292.422 4.794 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1 36954470 KGEGCXCZIBLLCN-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 37935800 QRDPXYQWDWZKAQ-CQSZACIVSA-N 294.251 4.521 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(Cl)cc2Cl)c1 37936800 ZWDSVGXCZJWDGH-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CCc1ccc([C@H](C)N[C@H](CC#N)c2ccccc2)cc1 55017383 PFLPLZBPIPKGST-HNAYVOBHSA-N 278.399 4.555 30 10 CJEE CCCCCCC[C@H](C)NCCc1cccc(F)c1 59332798 ZSEGZHDEFADTAB-HNNXBMFYSA-N 265.416 4.707 30 10 CJEE CCCCCCCNc1ccc(N2CCCC2)cc1 59462190 UVQORQSFNIEJRT-UHFFFAOYSA-N 260.425 4.669 30 10 CJEE N#Cc1ccc(Nc2cnc3ccccc3c2)cc1Cl 61851230 GZSBJPWMXSACAH-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCc1cccc(Nc2c(C#N)cnc3ccc(F)cc23)c1 64438656 JUTXLBIAOLMSFC-UHFFFAOYSA-N 291.329 4.552 30 10 CJEE N#C[C@@H](CNc1ccc2ccccc2c1)c1ccccc1 80782438 WSFLSFWUAAWOPP-SFHVURJKSA-N 272.351 4.559 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(C)c1C 83193503 PYGREMGYPPDCAV-ZRDIBKRKSA-N 294.394 4.907 30 10 CJEE C[C@H](CS)CSc1ccc(C(C)(C)C)cc1 87096655 MEJABZLFLWKLMH-LLVKDONJSA-N 254.464 4.642 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2ccccc2Cl)C1 91877750 NVRJDFWFICVWCQ-KBRIMQKVSA-N 291.822 4.658 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCCCC2(C)C)cc1 94275936 IMFYFGZITJFVGV-MRXNPFEDSA-N 270.420 4.868 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2)cc1C(F)(F)F 110257065 YHNIOMAGLNHJNI-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCCN(CC)[C@@]1(CN)CCC[C@H](C)C1 110917165 APDQAPDOVIRNKI-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](O)c1[nH]c(C)c(C)c1C 115064758 NSIRPMJVRNKTIK-OAHLLOKOSA-N 251.414 4.724 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H](C)N(C2CC2)C1 123783074 NTWGKZREPUIHLD-SJLPKXTDSA-N 281.484 4.505 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(CCC)c1 125136145 WWELHUAQAVPMDZ-SFHVURJKSA-N 276.468 4.894 30 10 CJEE CCCCCCCCOc1nc(CC)nc(NCC)c1C 125335831 ZYAKNNAXSUJHEO-UHFFFAOYSA-N 293.455 4.519 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@](C)(O)c2cc3ccccc3s2)C1 127297115 VYNVTJYPKGNTSK-XWIAVFTESA-N 299.439 4.829 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(C#N)cc1 127596993 QFBVXNBTDWOABY-QGZVFWFLSA-N 259.393 4.732 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](OC)C(C)C 127804741 FFJLBDJBJWLAQB-DLBZAZTESA-N 271.489 4.776 30 10 CJEE N#CC1(Cc2ccc([N+](=O)[O-])c(F)c2)CCCCCCC1 156749607 LXXUUYYKAPUGPX-UHFFFAOYSA-N 290.338 4.531 30 10 CJEE C[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(C)(C)C 157942088 DFTANJJFSFZACN-SNVBAGLBSA-N 284.325 4.671 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](OCC)C1CC1 158239830 LRPPZRJRYLBPSM-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCN1CCC(C)(O)CC1 160832151 DYOQCXRRVNUTCP-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCCc1ccc(NCc2ccc(C#N)cc2Cl)cc1 162612855 TXJVBWIPYYGSFN-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE CCCCCCC[C@]1(CNCCC)CCO[C@H]1C1CC1 166256063 VMLPETITGXWCSG-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CCCCCCCC[C@@H](N)c1cnccc1C(F)(F)F 225498178 GCTOZLKQVNZTJA-CQSZACIVSA-N 288.357 4.851 30 10 CJEE C=CC[C@H]1C[C@@H](CCC)CC[C@H]1CNC(C)(C)C 227527395 CLHIOULQUXVOHG-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=C(C)[C@H](NCCC)C1CCC(CCCC)CC1 229750933 ZPAQZGKCPNBONH-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(F)c(Cl)c1 231075842 ZTUGDWDYOYJAKF-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE COc1cc(Nc2ccc(Cl)cc2C#N)ccc1Cl 232201966 URNSBOJQILNQMC-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cn(C)cn1 232944810 XFSBIXDOPHDYLO-MRXNPFEDSA-N 279.472 4.731 30 10 CJEE N#Cc1cc(-c2ccc(Cl)cc2Cl)cs1 238526386 HIMHQXNJNIVTTR-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CC(C)(C)c1csc(NN=C/C=C\c2ccccc2)n1 263627011 NMBRYRZOKYANPW-RCNMVENNSA-N 285.416 4.552 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)CSC 302345949 FMQFLNFLJBGUAT-GJZGRUSLSA-N 259.503 4.714 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1 308158326 UVOFOYXRCYIKNY-IRXDYDNUSA-N 270.420 4.884 30 10 CJEE N#Cc1c(Cl)cccc1OCC1CCCCCC1 310673851 LEUALTWBUUCKMO-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE N#Cc1cccc2c1ccn2[C@@H]1C=CCCCCC1 311341374 PJQVDHLKWRJBCB-OAHLLOKOSA-N 250.345 4.574 30 10 CJEE C=CCC[C@@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317900132 RXGDUDBGSFEFDW-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)COc1nc(Cl)c(Cl)cc1Cl 386902994 BHNAANHGTCYTRK-UHFFFAOYSA-N 280.582 4.633 30 10 CJEE CCCCCCCCCCNCc1ccnn1C(C)C 394583357 ALVRNHDUBLYCII-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE N#C[C@H](CNc1ccc(C(F)F)cc1)C1CCCCC1 397458553 ORESNCZAANOXML-CQSZACIVSA-N 278.346 4.756 30 10 CJEE C=CCCC[C@H](C)N[C@H](c1cccs1)C(C)C 398097966 GHJJWUKBIBWSQD-ZFWWWQNUSA-N 251.439 4.780 30 10 CJEE C=CCCC[C@H](C)Nc1nc(Cl)nc2sc(C)cc12 398270721 FFCNVHUSFJHDGT-VIFPVBQESA-N 295.839 4.810 30 10 CJEE CN(CCC(C)(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 399807068 DQYTUMMNOQBQQU-OWCLPIDISA-N 278.484 4.709 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1C[C@H]2C=C[C@H]1CC2 402270462 SCBFSOBMFSGRBH-NXOAAHMSSA-N 250.426 4.700 30 10 CJEE CC1(C#N)CCN(Cc2ccc(-c3cccs3)cc2)CC1 444677983 XWCCRHVDKPWNRK-UHFFFAOYSA-N 296.439 4.541 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@H](c1ccccc1)c1ccco1 531689938 VJOJGWSAUAFCPW-RLFYNMQTSA-N 269.388 4.559 30 10 CJEE CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1F 575340322 ZIVBICLLNYTEAV-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE CCSc1cccc(N(C)CCC(C)(C)CC)c1C#N 686221684 BFKZQMARRVPGKN-UHFFFAOYSA-N 290.476 4.933 30 10 CJEE C#CCCCCC[C@H](NCC)c1csc(Cl)c1 686708546 IFTRDQXUMDIGAP-ZDUSSCGKSA-N 269.841 4.636 30 10 CJEE CCCC1CCC(C#N)(CC[C@H]2CCCCO2)CC1 688122012 YWTPKSFSGYHAOJ-AQFXKWCLSA-N 263.425 4.836 30 10 CJEE C[C@](O)(CC1CCCCC1)C1(C#N)CCCCCCC1 689822948 QZXSOXFHRKGHKU-KRWDZBQOSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(OC)c1C 691212916 VPIIIXLIZNPDRM-MRXNPFEDSA-N 264.409 4.788 30 10 CJEE CCSc1cccc(N[C@@](C)(CC)C2CC2)c1C#N 691610177 WRLGEDITXSDFFU-INIZCTEOSA-N 274.433 4.661 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)ccn1 692251531 JVEPIZQUURHSHB-DGCLKSJQSA-N 284.325 4.647 30 10 CJEE C=CCCSCCN[C@H]1CCC[C@H](C(C)(C)C)CC1 696045080 PYPOKBUZLARHOM-HOTGVXAUSA-N 283.525 4.880 30 10 CJEE C=C1C[C@H]2CC(NCCC3CCCCC3)C[C@@H](C1)C2 697303731 DYVXUOWXFIMMES-JWTNVVGKSA-N 261.453 4.681 30 10 CJEE CCCCCCCCC[C@@](N)(CC)C(F)(F)F 702917542 QYHLCLQNHKIZNT-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1oc2ccc(F)cc2c1C 710697981 RNOGAKHFRSTNGN-CYBMUJFWSA-N 281.758 4.674 30 10 CJEE C=C(CC)C[C@H](N)c1c(Cl)cccc1C(F)(F)F 712539124 RPUVPERLHPVCQH-NSHDSACASA-N 277.717 4.715 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCC2)CS1)c1cccs1 713191355 HROUUZLPPKJURB-GFCCVEGCSA-N 294.489 4.595 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H]4CCCC[C@@H]43)C[C@@H](C1)C2 714282838 PZTXFWAYGZDIGX-WDDJWGJOSA-N 273.464 4.680 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)NCCC)cc1 715759661 WCQPYJAAPFKVNU-KGLIPLIRSA-N 263.450 4.804 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)C[C@H](C)CO1 718400396 IMSCRBRIXBZUIW-FUHWJXTLSA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C)c(Cl)c2)CC1 724548749 FUPNGRPKTKUTLA-MRXNPFEDSA-N 263.812 4.785 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cccc(C)n2)CC1 724554402 WAMQLISWUMVGJF-SFHVURJKSA-N 272.436 4.567 30 10 CJEE C=C1CCC(CC(=O)c2cccc(C)c2Cl)CC1 724594463 CAJJVJDQMZSXMA-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE C=C1CCC(C[C@H](N)[C@]2(C)CC[C@H](C)C2(C)C)CC1 724620482 ZHQGWFVFGNVJDB-ZVZYQTTQSA-N 263.469 4.913 30 10 CJEE CC1(C)CC(CNC[C@@H](C#N)C(C)(C)C)CC(C)(C)C1 829417736 ZPWJHNQLBATHAZ-OAHLLOKOSA-N 278.484 4.614 30 10 CJEE COc1ccc(OC)c(N=Cc2cccc3ccccc23)c1 1084317781 JFMMKUUZLKGTHQ-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE C=C(CC)CN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 1167233308 HNTFRTZLOMCIQI-LBPRGKRZSA-N 271.326 4.664 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H](C3CCCCC3)C2)CC1 1167892147 HMJVITJHEFCWIK-GOSISDBHSA-N 289.463 4.552 30 10 CJEE N#CCc1cncc(-c2cc(Cl)c(Cl)cc2Cl)c1 1242784895 DDSFRWJBRSSTPM-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC12CCOCC2 1258231478 PLICEPGKDQNJRX-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1)C(CC)CC 1264510444 QGGWUCOWJJDACW-KXBFYZLASA-N 287.447 4.882 30 10 CJEE CC(C)(C)CN(Cc1ccc(CC#N)cc1)CC(C)(C)C 1307649318 HLDBIMULZCUJEL-UHFFFAOYSA-N 286.463 4.647 30 10 CJEE C=CC(C)(C)CCNC(=O)N(CC(C)(C)C)CC(C)(C)C 1313065807 WUAXFVYHNCVJCW-UHFFFAOYSA-N 296.499 4.693 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@@H](CCCC)C1CCC1 1313126001 OHNDQESNCKSZPC-INIZCTEOSA-N 294.483 4.637 30 10 CJEE C=C(C)CCC(=O)N(C)Cc1ccccc1-c1ccccc1 1434964601 MROJPJGRKKTZGX-UHFFFAOYSA-N 293.410 4.668 30 10 CJEE C=CCC1(C(=O)N[C@@H](CC)C2CCCCC2)CCCC1 1434966854 ISERLBQWXJOBFU-INIZCTEOSA-N 277.452 4.598 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(C(F)F)ccc1Cl 1436173745 LXORIEPLHMJFGG-SECBINFHSA-N 287.737 4.818 30 10 CJEE C=CC(C)(C)CCNC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C 1437998880 FKOKNVSDSVEGLP-INFUSRGGSA-N 291.479 4.724 30 10 CJEE C#CCCCCCCSc1nc(C(C)C)cs1 1459159148 WBDNCDZOZBGIBE-UHFFFAOYSA-N 267.463 4.942 30 10 CJEE C=CCN(Cc1ccccc1F)Cc1sccc1Cl 1459348782 PUCHBKKQGYDVSV-UHFFFAOYSA-N 295.810 4.729 30 10 CJEE C=CCCCCNC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1459359834 WCTRUVGGULLPDA-UHFFFAOYSA-N 299.458 4.704 30 10 CJEE C#CC[C@@H](NCc1ccc(CC(C)C)cc1)c1ccccc1 1459850685 NPYVIFQHKPRHDM-OAQYLSRUSA-N 291.438 4.739 30 10 CJEE C=CCCCCC[C@H](C)NCC1(OC)CCC(C)CC1 1462194839 YZNKPINPEYZZQC-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H](c1ccccc1)C1CC1 1462281574 SSEYDQCCDCSKLK-RTBURBONSA-N 271.448 4.905 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H](Cc2ccccc2)C(C)C)C1 1474118615 MKKQVNUOIWEIGC-YZGWKJHDSA-N 285.475 4.836 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@@H](OC)C2(CC)CC)c1 1474741602 WTBNMZXJMSKMSW-IAGOWNOFSA-N 273.420 4.725 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1518399392 KDQJIRFZSTWSLI-IMFGXOCKSA-N 297.442 4.517 30 10 CJEE C=CCC1(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CCCCC1 1532896512 CUSOBZVLOVMRJV-MJGOQNOKSA-N 297.442 4.575 30 10 CJEE C=CC(C)(C)CC(=O)Nc1sccc1C(=O)C(C)(C)C 1538887183 UNGLTKIBPWQEJJ-UHFFFAOYSA-N 293.432 4.518 30 10 CJEE C=CCCCCCN[C@@H](C)c1cc2ccccc2o1 1559754060 CMNQFNFXWFCDIN-AWEZNQCLSA-N 257.377 4.830 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 1586985740 SXPUVAGNYLQWPZ-GOSISDBHSA-N 293.410 4.892 30 10 CJEE C=C[C@@H](OC(=O)CCCCC(C)C)c1ccccc1 1587283812 VQQNDABLTQUQMX-MRXNPFEDSA-N 260.377 4.673 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccccc1C(F)(F)CC 1595828969 XXRVXWYHPMARHA-HNNXBMFYSA-N 281.346 4.729 30 10 CJEE Cc1ccc(C)c(C#Cc2cccc(OC(F)(F)F)c2)c1 1614693317 VTAFXDPRXCAMII-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE C=CCCCN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 1641856471 RDKIYVURQZQCLS-WMZOPIPTSA-N 257.421 4.734 30 10 CJEE C=CCCN(CCSC(C)(C)C)OCc1ccccc1 1645341796 UYIHDSISIHAKSP-UHFFFAOYSA-N 293.476 4.528 30 10 CJEE C=CCC1(CNC/C=C/c2ccc(F)cc2F)CCCC1 1651073367 INTZTBZZGUVLSM-AATRIKPKSA-N 291.385 4.704 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 1653225058 VWGLVLVQCRXEAV-ZIAGYGMSSA-N 283.802 4.925 30 10 CJEE C=CCCC[C@@H](Nc1ccc(C#N)c(C)n1)c1ccccc1 1655809109 XXZDXCURNATGOC-GOSISDBHSA-N 291.398 4.771 30 10 CJEE C=CCC1(CN[C@H]2CCOC3(CCCCC3)C2)CCCC1 1656241433 KNKVEDLLNFUXFB-KRWDZBQOSA-N 291.479 4.594 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(Cl)cc1C 1657529541 CPHHNHIREJDBGG-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CCC[C@H](CCC)NCCc1ccnc2ccccc12 1658522706 XAJHEWKNXXFAAW-KRWDZBQOSA-N 282.431 4.502 30 10 CJEE C=CCC1(CNC[C@H](C)C2CCCCC2)CCCC1 1659205420 DDGCXNAHWKXUQX-INIZCTEOSA-N 263.469 4.929 30 10 CJEE C=CCC(C)(C)CNCCc1ccc(C(C)(C)C)cc1 1659296987 YLIWMIDXGCIDGK-UHFFFAOYSA-N 273.464 4.719 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@H]1CC 1682859425 IOTDJHOBGKKHPL-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C(C)(C)C(F)(F)F 1878635097 VTWBLHMPKYSLLP-UPJWGTAASA-N 277.374 4.688 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 1883819788 PURFZRZWFKFMNH-BFYMFYIXSA-N 263.469 4.713 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCO[C@@H]1C)NC 1885726460 KRDRALQWSWEOOL-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 1886164035 MUVAOOCBECWEHB-ACDBMABISA-N 283.459 4.891 30 10 CJEE CCCCCCCN(C)c1cccc(Cl)c1C(C)=O 1887052193 UAWRFKCWJLEAHW-UHFFFAOYSA-N 281.827 4.949 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1cscc1C)C1CC1 1887500078 LSRIVPZAAVTVAZ-WBVHZDCISA-N 275.461 4.537 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)[C@@H](CC(C)C)C(C)C 1888690083 VUYHFWPOKMWBPF-ZWKOTPCHSA-N 259.437 4.606 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)cc1Cl 1899328416 RSJCMLQBDFOVPY-UHFFFAOYSA-N 253.798 4.535 30 10 CJEE Cc1c(Cl)cccc1COc1ccc(C#N)c(Cl)c1 1913190653 UUTKQVFRFMJICA-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCCCCCOCC(C)(C)NC 1914995845 RNFBVXKMGWDWHL-UHFFFAOYSA-N 271.489 4.922 30 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CJEE C=CCCCC[C@@H](N)c1cc(Br)ccc1C 1984512081 LDYFFDMHSJOVDX-CQSZACIVSA-N 282.225 4.504 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2ccc(Cl)s2)C1 2002978706 KRQDLCZXHLTPFX-CQSZACIVSA-N 270.825 4.730 30 10 CJEE CC[C@@](C#N)(Cc1cc(F)ccc1Br)C(C)C 2012411770 MNMZDNZPNZGTRF-AWEZNQCLSA-N 298.199 4.707 30 10 CJEE C=CCC(C)(C)OC(=O)c1cccc(Cl)c1Cl 2014046068 NBCINAJOJUQUNA-UHFFFAOYSA-N 273.159 4.505 30 10 CJEE C[C@H](CCC1(C=O)CCCCCC1)C(F)(F)F 2016885392 NGSJMNLYDUGZRB-LLVKDONJSA-N 250.304 4.505 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1cc(Cl)sc1Cl 2020068374 QQOWTIKOZBTTPQ-KOLCDFICSA-N 290.259 4.755 30 10 CJEE C[C@@H]1CC[C@H]([C@H](C#N)c2ccc(Br)cc2F)C1 2025610266 BKPCUTNYUJUIBM-NRUUGDAUSA-N 296.183 4.632 30 10 CJEE C=CCCCCCC[C@@](N)(CC)c1ccsc1 2026015633 VAIYCYXHPKSMIR-HNNXBMFYSA-N 251.439 4.839 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1[C@H](C)C1(F)F 2036074410 MZKUCWNEVMOTIY-MELADBBJSA-N 261.400 4.616 30 10 CJEE CCCCCCCCCC[C@H](N)c1ncc(C)s1 2037117942 LWZDVVCCHMUMGR-AWEZNQCLSA-N 268.470 4.982 30 10 CJEE 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256.393 4.638 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 2107617958 WVQBBDIXNQMGNZ-QVHKTLOISA-N 267.363 4.778 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)c(OC)c1 2107796671 RPTKUTSNKYYZPY-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CCCC[C@](C=O)(CC)CCc1c(F)cccc1F 2108195818 YTEJZGMUFICEHE-MRXNPFEDSA-N 268.347 4.683 30 10 CJEE CCCC[C@](C)(C#N)c1cc(C)nc2ccccc12 2108204730 UEPCEOUJOWMRES-QGZVFWFLSA-N 252.361 4.515 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@]2(C)CC=CCC2)CCC1 2111709481 XAXQJSCQMLIVQT-IRXDYDNUSA-N 261.453 4.847 30 10 CJEE CC1(C)CCC[C@](C#N)(CC[C@H]2COC(C)(C)C2)C1 2112231858 PCUKCZSQRKKTAW-PBHICJAKSA-N 263.425 4.692 30 10 CJEE CC(C)c1nc(CC2(C#N)CCC(C)(C)CC2)cs1 2113533749 OOWKNYZILZCMLV-UHFFFAOYSA-N 276.449 4.919 30 10 CJEE C[C@@H](CN(C)CCCCCCCCCS)C(C)(F)F 2115293337 YOQATXJDCRCQSV-AWEZNQCLSA-N 295.483 4.870 30 10 CJEE N#C[C@@]1(CC(F)(F)c2ccccc2)CCCC12CC2 2116985730 AGCOVQBIGRKHJD-HNNXBMFYSA-N 261.315 4.643 30 10 CJEE CC1(C)CCCC[C@]1(C#N)CC#Cc1ccccc1 2117011963 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2142450455 LLIUOQQPSQYDCN-SJORKVTESA-N 268.441 4.613 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)CCCCCCC 2142460450 FDONLRGIXDHDAL-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)C[C@@H](C)O1 2145878085 RDNZBJWMARGKSU-LSFSDZQMSA-N 275.436 4.546 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)[C@H]1CCCC[C@@H]1CC 2148589954 STCAGNFLSYGWRW-XLAORIBOSA-N 283.500 4.642 30 10 CJEE CCCCCCCOC1(C(=O)O)CCC2(CCC2)CC1 2149580492 LZKGVMJASDTBQX-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)[C@@H]1CCCO1 2149682416 BNPUTGBOHSYPSL-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](OC)C1CCCC1 2150137906 PFNHLFLTLABHSO-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)COCC2 2152745382 QGNMEPPETCJVHH-UHFFFAOYSA-N 274.404 4.693 30 10 CJEE Cc1cc(Cn2ccc3cccc(Cl)c32)ccc1C#N 2153520181 YNHGSVBUGNJRFX-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCCCCCNCc1ncoc1C(F)F 2153930849 DVRVTESUUFYBME-UHFFFAOYSA-N 288.382 4.843 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cnc(N(C)C)s1 2154655807 NKXCVKDEPWMCTN-CQSZACIVSA-N 297.512 4.740 30 10 CJEE C=C(Cl)C[C@@](C)(N)c1ccc2c(c1)Cc1ccccc1-2 2154692840 WSIRIBTYUCRVID-GOSISDBHSA-N 283.802 4.574 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]1(C)CCCN1C 2154946820 MEAWZIDRSVCWSV-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCO[C@H]1CCC(C)(C)[C@H](NCCC)C1 2155423626 QMUCTKWBVQBLNK-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NN 2155856049 ZQLOYLTYFCGOSE-MHORFTMASA-N 280.500 4.785 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](OC)C1(C)C 2156658371 VJBVRWBHVQPMIA-YESZJQIVSA-N 283.500 4.776 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cc(C#N)cc(Cl)n2)CC1 2159438525 WUGXAMCPDWPVPP-UONOGXRCSA-N 291.826 4.623 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](F)[C@H](C)CN 2161853333 QDUWLRIRONRXKQ-WBVHZDCISA-N 287.463 4.799 30 10 CJEE C=CCOc1ccc(C(=O)[C@@H]2CCCC[C@H]2CC)cc1 2163963209 KQOATJYPSLQYIP-RHSMWYFYSA-N 272.388 4.651 30 10 CJEE CCCCCCCCCC[C@H](CC[C@H]1CC1(F)F)NN 2164485747 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2244213728 JHPSSVFVYJCANE-CYBMUJFWSA-N 288.229 4.793 30 10 CJEE C=C(C)CCCCN(C)c1ccc(Br)cc1 2244619554 XNVQUALIXXFAJK-UHFFFAOYSA-N 282.225 4.632 30 10 CJEE CC(C)(C#N)CCCSCC1CC2(CCC2)C1 2248337016 XXJNLMMVHYZMBD-UHFFFAOYSA-N 251.439 4.630 30 10 CJEE C[C@@H]1CC[C@H](CSc2cccc(Cl)c2C#N)C1 2248445415 LRWNEKQLSLOQFX-MNOVXSKESA-N 265.809 4.740 30 10 CJEE CCCCCCCC[C@@H]1CN[C@@H]2CCCC[C@@H]2C1 2253806386 AJAUDWWFSJWFAD-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCNCCCCC[C@@H]1C[C@H]1C 2257322125 LMHGEYIRGYVXPP-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE O=C(C[C@@H]1CCC[C@H]1C(F)F)C1=CCCCCC1 2257840371 QRHNMQUGPZTJCX-QWHCGFSZSA-N 256.336 4.518 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC(C)(C)[C@@H]1N 2259061650 SCYSVCHUYNGZGX-HUUCEWRRSA-N 269.498 4.762 30 10 CJEE C=C(C)CCCCC(=O)c1scc2c1CCCC2 2259165296 ZWNFMINMKJQTEN-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE C=C(C)CCCC[C@@H](N)C[C@H](C(F)F)C(C)(C)C 2259211527 LTUYAJKFVCTIJW-CHWSQXEVSA-N 261.400 4.768 30 10 CJEE C=C(C)CCCC[C@H](CCCc1cccs1)NC 2259231721 OLSWRMIXZASUIA-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1cc2ccccc2s1 2260241369 XQVZCKWHXYXRBQ-STQMWFEESA-N 259.418 4.764 30 10 CJEE C[C@H]1c2sccc2CCN1CCCCCCCS 2263210577 GVUHHLDIGLQERN-ZDUSSCGKSA-N 283.506 4.548 30 10 CJEE CCCCCCCCC[C@H](C)NCC1[C@@H]2CC[C@@H]12 2263716978 FFLXXVIUIRZERT-ARFHVFGLSA-N 251.458 4.761 30 10 CJEE Cc1cc(N[C@@H](C)[C@H](C)CC(C)C)cc(C)c1C#N 2265859058 SLFULAWPQFNBMT-DOMZBBRYSA-N 258.409 4.658 30 10 CJEE C=C([C@@H](NCC)c1cccc(Cl)c1OC)C(C)(C)C 2267961894 CLNKAIWTQSTVHK-CQSZACIVSA-N 281.827 4.602 30 10 CJEE CC(C)C[C@@H](C(C)C)[C@H](N)CC=CC#CC(C)(C)C 2268818156 OMSJIONAEJNNIJ-DLBZAZTESA-N 263.469 4.628 30 10 CJEE CO[C@@H](CSC[C@@H](C#N)C1CCCC1)CC(C)(C)C 2271683738 NQJPXAUPIFJTGV-HUUCEWRRSA-N 283.481 4.501 30 10 CJEE C=C(C)CCCCC(=O)c1cccc2ncccc12 2271758982 QMZWNLRIJSHARQ-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccccc1C(F)(F)F 2271786569 ZBTFGEBHLJKOCO-AWEZNQCLSA-N 271.326 4.842 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(O)CC#CC1CCCC1 2274165162 RXUBGAARUJDSAB-QZTJIDSGSA-N 262.437 4.538 30 10 CJEE Cc1cc(C#N)ccc1CSCC12CCC(CC1)C2 2274349901 SUWHUZUDQBVEPS-UHFFFAOYSA-N 271.429 4.680 30 10 CJEE C=CCCCCCCC[C@@H](CCC)OCCC(=O)O 2275534324 BZLHIQHDUPLUOZ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCCC[C@@H](CCCCC)OCCN 2276064696 TUMJGQMXUSYFPM-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=C(C)CCCC[C@](CC)(C[C@H](C)CC)OCCN 2276140550 MRPXHSQUBIVASU-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CC[C@H](C)C1 2276542681 IITKMTBDNMVKKZ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H](C)C(C)(C)C 2276756142 PQBQHYUSZPWJBX-HZPDHXFCSA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(Cl)cc1 2276767778 PMTVNMOORUVLBI-INIZCTEOSA-N 283.843 4.717 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@H]1CCC(C)(C)C1 2277255397 XGRJULSPQCLJGA-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE N#Cc1sccc1CSC1CC2(C1)CC1(CCC1)C2 2277478991 FQXXZSJYIFODIL-UHFFFAOYSA-N 289.469 4.966 30 10 CJEE C=CC1(CNCc2sc(C(F)(F)F)cc2C)CCC1 2277876323 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Cc1ccc(F)cc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306397 LUKMUBKMMKHZNP-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCN(CCCN)c1cccc(C)c1 59203600 UCUBUOOYFRCSHE-UHFFFAOYSA-N 276.468 4.511 30 10 CJEE CCCCCCCCNc1cc(C(=O)OC)ccc1Cl 59451553 FPKNYKLZGWVVKR-UHFFFAOYSA-N 297.826 4.899 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)N(C)C)c1 59460361 VZFXQWKFDYMWIH-OAHLLOKOSA-N 290.451 4.549 30 10 CJEE CCCCN(c1cc(C#N)c2ccccc2n1)[C@H](C)CC 68772621 NDTVQJRWULPHDK-CQSZACIVSA-N 281.403 4.511 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 71125125 NJZOCNDCVDDMGX-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE O=C(C1=CCCCC1)c1ccc(Cl)c(Cl)c1 71126412 XBULUXXGGYBTLO-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE O=C(/C=C/c1ccco1)c1cc2cc(Cl)ccc2o1 83201510 JKZDHUARZUEQQE-SNAWJCMRSA-N 272.687 4.575 30 10 CJEE N#CC1(Cc2ccc(Br)s2)CCCCCC1 83778989 NPYCLYKPBSVDRZ-UHFFFAOYSA-N 298.249 4.917 30 10 CJEE CCCc1cccc2c(C#N)cn(Cc3ccccc3)c12 84864780 POULYGOEBPGSEE-UHFFFAOYSA-N 274.367 4.514 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccccc2Cl)C1 87972883 OMIDOADSKQICKV-CZUORRHYSA-N 261.796 4.993 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCCC1 91880650 RMRJJZSZDNIZOG-ZDUSSCGKSA-N 284.186 4.501 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)cs2)C1 93097289 CKQLAPGZJHRFRL-HONMWMINSA-N 283.824 4.545 30 10 CJEE CC(C)[C@H](CS)COc1ccccc1C(C)(C)C 94582476 ARMZNSPWZDRZEB-ZDUSSCGKSA-N 266.450 4.565 30 10 CJEE SC/C=C/COc1ccc(-c2ccccc2)cc1Cl 94582643 ZMSXQRGXQDFROK-SNAWJCMRSA-N 290.815 4.872 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccc(C)n1 104157055 AWKSISQBZFDKKK-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE Cc1cccc(Sc2ccc(Cl)cc2C#N)c1 104182694 PLMVQCNPGUZPTA-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCO[C@H](c1ccsc1)[C@H](N)CC 105551294 VJWRAUXHMSZNMD-HUUCEWRRSA-N 269.454 4.514 30 10 CJEE CCCCCCCCNC[C@H](c1ccc(C)cc1)N(C)C 106351719 ZUGDUVIEGSIWBY-LJQANCHMSA-N 290.495 4.548 30 10 CJEE CCCCCCCCNc1ccc(C(=O)NCC)cc1C 109911174 YHKBNICDTZVUCH-UHFFFAOYSA-N 290.451 4.517 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](N)C[C@@H](C)C1 124681430 BISBKRSYHAQTGN-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(F)c(F)c1F 125648525 SAFNBVBXVQFKRA-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CC1(C)CC(Nc2cc(C#N)cc(Cl)n2)CC(C)(C)C1 131207257 RAFHCCHDFXXWBL-UHFFFAOYSA-N 291.826 4.623 30 10 CJEE CCCCCCCC(=O)c1ccc(C(F)(F)F)cn1 135415435 YYDZTZBXMHJGDL-UHFFFAOYSA-N 273.298 4.644 30 10 CJEE CCCCCCC[C@@H](CCOc1cccc(C)c1)NC 139656448 HTQVYDHVQFXPFH-KRWDZBQOSA-N 277.452 4.712 30 10 CJEE C=CCCC[C@@H]1CCCCC[C@H]1CNCC(C)C 155867549 YFKSYUYARKHDRY-SJORKVTESA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@@H](O)c1ccnc(Cl)c1 156094201 BPGOJHJVRXLKBR-CYBMUJFWSA-N 255.789 4.519 30 10 CJEE CC(C)Cn1c([C@@H]2CCCCS2)nc2cc(C#N)ccc21 156300184 QPKIFOATGQUQNX-INIZCTEOSA-N 299.443 4.522 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cc(F)cc(Cl)c2)CC1 161410692 RJDXPWRIFLMXQF-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccncc1C 167578472 ZEWJYJGFPBWTJU-KRWDZBQOSA-N 263.425 4.954 30 10 CJEE CC(C)c1ccc(Br)cc1C1(C#N)CCC1 218757440 QWPDVWLIZPWAGV-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1OCC[C@@H]1C 228989716 VHVXRTICXGRUCR-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](C)Nc1c(C#N)cccc1OC 231101107 SBAJBYFJFVWKGD-CQSZACIVSA-N 274.408 4.728 30 10 CJEE CC(C)(C#N)CCCCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 232517738 CTJAQIUHNFRZCY-IIDMSEBBSA-N 277.452 4.938 30 10 CJEE CCCCCCCCNCCCCC(C)(C)C#N 232922719 BFSKGPOMVAHSPZ-UHFFFAOYSA-N 252.446 4.657 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc2c(c1)COC2 233611352 KYQQASFCQQASJL-GOSISDBHSA-N 273.420 4.504 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@H]1C1CC1 250794991 ALQCHKMHCIYNQW-OALUTQOASA-N 294.527 4.590 30 10 CJEE Cc1cc(Nc2cc(Cl)c(C)cc2Cl)cc(C#N)n1 308282074 WPKTZZTWCBJRJU-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)cc(Cl)c1)C(F)(F)F 311407765 YASJJPZLLRQWQU-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H](C)C(C)(C)C 311445251 WISRCDKNWSQISP-HZPDHXFCSA-N 265.485 4.867 30 10 CJEE C=C(CN[C@@H]1CCCC12CCCCC2)c1ccccc1 312964418 ALJANNZZVAYUJT-GOSISDBHSA-N 269.432 4.792 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCC[C@H](C)C1 318602382 HKJLJWOMUJUNCX-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCC1(O)CCN(C2CC2)CC1 380588567 XFUBTABQNIYJLS-UHFFFAOYSA-N 281.484 4.507 30 10 CJEE SCCCCCCCCCN1[C@H]2CCC[C@H]1CC2 380726724 FQJLMJFIOCPHGF-HOTGVXAUSA-N 269.498 4.664 30 10 CJEE C=CC(C)(C)CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 384882500 VDIGMYRMEUCLLI-UHFFFAOYSA-N 289.162 4.526 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc([N+](=O)[O-])cc1Cl 385089706 XSZGFTMSLYLEGC-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE Cc1ccc([C@@H](C)N(C)C[C@@H](CS)C(C)(C)C)s1 387249233 JYWOKLJMXROTNM-OLZOCXBDSA-N 285.522 4.641 30 10 CJEE C=C(COC(C)C)[C@@H](CCCCCCCC)NCC 387597824 VCYGIQBYDSBNQH-QGZVFWFLSA-N 269.473 4.696 30 10 CJEE CCCCCCCCCCCCNC1CN(CCC)C1 393639630 QRRUCKCRIJUWJH-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCC(F)(F)C1 394001682 ZCRDWUOZDVRLQH-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@H]1CC1(C)C 397737629 MEHQAFIBAXNIEU-QWHCGFSZSA-N 261.434 4.811 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccoc1C1CC1 410374075 MBAANQAEDLJFBF-UHFFFAOYSA-N 281.355 4.528 30 10 CJEE C#CCCCCC[C@H](O)C1CCC(CCCC)CC1 686677112 UQOGNURSMGYISV-ABHNRTSZSA-N 264.453 4.928 30 10 CJEE C#CCCCCC[C@@H](CSc1cccc(Cl)c1)NC 686683439 ZQZWSHXQGJMCKU-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE C=CCSc1ccccc1NCC1(C(C)C)CC1 687545849 XGIIUIMJKNGNHS-UHFFFAOYSA-N 261.434 4.813 30 10 CJEE CC(C)C1([C@@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 687554781 MQZMDEYMZAVNMA-AWEZNQCLSA-N 277.452 4.530 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1nccc2ccccc12 695884282 NIVNRALZXJQAGT-GFCCVEGCSA-N 270.401 4.655 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cc(F)cc(Cl)c1 703729988 NOCJMWDKHJTURT-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCCC[C@H]21 706797785 UHUTYDMVQXKWOK-HZPDHXFCSA-N 269.498 4.521 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)ccc1F 710591675 JHKDAXOYOBFVHP-ZDUSSCGKSA-N 276.182 4.662 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1scc(C)c1Cl 715785927 GNWFSYXGQYKRNT-SKDRFNHKSA-N 257.830 4.573 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1CCC2(CCC2)O1 717749977 ORQZVYLDAZDMMS-HZPDHXFCSA-N 268.441 4.590 30 10 CJEE CCCCCCCCC[C@H](NCC)c1nn(C)cc1C 723502311 NYNRETZXQVECFH-INIZCTEOSA-N 279.472 4.520 30 10 CJEE C=C1CCC(C[C@H](N)C(C)(C)c2ccc(F)cc2)CC1 724568370 SCGVHWUIPSBPGZ-KRWDZBQOSA-N 275.411 4.567 30 10 CJEE C=CC[C@@H](C(=O)OCc1ccc(C)c(F)c1)c1ccccc1 1127857576 REVMLYHLYJEJRJ-QGZVFWFLSA-N 298.357 4.537 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(C=C)cc2)CCCC1 1130909905 LWYZCEBNIUKEIV-UHFFFAOYSA-N 283.415 4.586 30 10 CJEE C=C[C@](C)(CC)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1132430706 GVRRGOCEEUHBQZ-OXJNMPFZSA-N 299.458 4.840 30 10 CJEE C=C(C)CN[C@H](CC1CCCCC1)c1ccccc1 1168824908 DRJAVAICVYCQDV-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=C[C@H]1CCCCN1CCCc1ccc(C(F)(F)F)cc1 1169865117 ZGNNAKWROCVOCT-INIZCTEOSA-N 297.364 4.679 30 10 CJEE C=CCCCCCNC1(c2ccc(F)cc2)CCC1 1174836298 NHBDNFOOGAGZDN-UHFFFAOYSA-N 261.384 4.541 30 10 CJEE C=C(C)c1cccc(NCc2cccc3cc[nH]c23)c1 1179747639 NZILDFHOWZBOMO-UHFFFAOYSA-N 262.356 4.813 30 10 CJEE C#CCN(CCCc1ccccc1Cl)C1CCCCC1 1190699885 PQHXFAWNMXIPAZ-UHFFFAOYSA-N 289.850 4.541 30 10 CJEE C=CCN(Cc1ccc(CC)cc1)CC1CCCCC1 1190984723 LGYWFMHLIONXMH-UHFFFAOYSA-N 271.448 4.817 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1CC1CCCC1 1195638719 LLYNSUPHULLVRL-GOSISDBHSA-N 261.453 4.615 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCC[C@H]2CCC)CCCCC1 1264951855 YZUIXTIFSQKVPO-IAGOWNOFSA-N 291.479 4.988 30 10 CJEE C=C[C@H](CC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ccccc1 1265723703 AUASQXYFXCKOBJ-LZLYRXPVSA-N 299.458 4.677 30 10 CJEE C=C(C)c1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 1307227893 LCVOHSWKBVPDBV-UHFFFAOYSA-N 272.279 4.511 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCc1ccccc1CC 1307924821 UDJIPVOEMRBWDH-RTBURBONSA-N 271.448 4.516 30 10 CJEE C=CCCCCN(C)C1(Cc2ccccc2)CCCC1 1308058486 FQYDNELBHQNQHJ-UHFFFAOYSA-N 271.448 4.830 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CCCC1 1437643356 XUTMXYVTXIITAL-BRWVUGGUSA-N 291.479 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CC2CCC2)CC2CC2)c1 1467477405 GYHCUGLVAOABIY-UHFFFAOYSA-N 298.430 4.764 30 10 CJEE C=CCCCCN1CC2(CC=CC2)[C@H]1c1ccccc1 1473608170 MRTSDKVAOMUOFM-GOSISDBHSA-N 267.416 4.736 30 10 CJEE C#CCCCCCCN1CC[C@H](CCOC)c2ccccc21 1473884487 JXVDYKSEWOVRMQ-GOSISDBHSA-N 299.458 4.601 30 10 CJEE C=C(C)CCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 1517271047 RWNRJHHBBXTTBK-ZDUSSCGKSA-N 284.758 4.830 30 10 CJEE C=C(C)CCC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1527144033 YIADAEDOVPMSCZ-UHFFFAOYSA-N 272.175 4.597 30 10 CJEE C=CCC(C)(C)C(=O)Oc1cccc(Cl)c1Cl 1530237449 GKZVADSOAJSTJZ-UHFFFAOYSA-N 273.159 4.501 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(C=C)CCCCC1 1532324300 AIICTVVUHVZOGF-SJORKVTESA-N 289.463 4.764 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](C)C(CC)CC)CCCC1(C)C 1542579856 SFRZBGGPEWWWTJ-HOCLYGCPSA-N 279.468 4.652 30 10 CJEE C=CCN(CCc1ccccc1)[C@@H]1C=CCCCCC1 1559512995 CVHHQEGEIWYMJV-LJQANCHMSA-N 269.432 4.606 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 1560414903 PXXVHOYKMCDRKM-CQSZACIVSA-N 290.407 4.553 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](CC=C)Cc2ccccc2)C1 1560883240 NLZPMLZMNJYHIF-BHIYHBOVSA-N 269.432 4.508 30 10 CJEE C=C(CC)C(=O)N(CCCc1ccccc1)c1ccccc1 1570084440 JEUILRCSRHWQEM-UHFFFAOYSA-N 293.410 4.619 30 10 CJEE C#Cc1ccc(NC(=O)Nc2cccc(C)c2C)c(Cl)c1 1627810796 ORVUENSHDKLQLT-UHFFFAOYSA-N 298.773 4.582 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccc(CC)s2)CCCC1(C)C 1639766621 SMDKFHFQAFHHAJ-OAHLLOKOSA-N 291.460 4.517 30 10 CJEE C=CC[C@H](CC)Nc1cnc2cc(Cl)c(Cl)cc2n1 1639902063 SSNUEVFJYXQKGX-VIFPVBQESA-N 296.201 4.703 30 10 CJEE C=CCCCCCSc1nc2c(c(C)c1C#N)CCC2 1640762804 PXEVVKVDGSMPRI-UHFFFAOYSA-N 286.444 4.589 30 10 CJEE C=CCCCCCN1CCCc2ccc(C)c(F)c21 1643340609 VVTGGEUWPPCTBU-UHFFFAOYSA-N 261.384 4.633 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(-c3ccsc3)cc2)C1 1643960595 JPUZKUQJCMQBLF-HNNXBMFYSA-N 283.440 4.813 30 10 CJEE C=CCCCCCN(C)CCc1c(F)cccc1Cl 1644669989 ZLMJETQJXWRFMM-UHFFFAOYSA-N 283.818 4.700 30 10 CJEE C=CCCN[C@H](C)c1ccc(Oc2ccccc2)cc1 1645138690 QYWHVDIIDDQEBW-OAHLLOKOSA-N 267.372 4.706 30 10 CJEE C=CCC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 1650891253 XQZUOWMQOXCVAI-HNNXBMFYSA-N 297.789 4.726 30 10 CJEE C#C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccc(F)cc1 1652535807 ZSZFCGLUOQEDGC-HXUWFJFHSA-N 293.385 4.557 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(F)c(OC)cc1C 1657812928 NELUUCIKCRLVEU-CYBMUJFWSA-N 265.372 4.690 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C(F)F)c(F)c1 1662936126 CQYVGNWPKNAMDX-UHFFFAOYSA-N 271.326 4.598 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1 1874577436 NOJIDXSGZSPFNI-FMIVXFBMSA-N 298.769 4.801 30 10 CJEE CCCC1CCC(C[C@]2(C=O)CCC(F)(F)C2)CC1 1878240972 YADVFVMLQYWMGV-YMAMQOFZSA-N 272.379 4.988 30 10 CJEE CC(C)(C)C#CC[C@H](O)c1cc(-c2cccs2)cs1 1886382923 YLSJSQLTNWZDCD-ZDUSSCGKSA-N 290.453 4.950 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1cc(Cl)cc(Cl)c1 1888706075 RZGGSOMFYYEKMR-MRXNPFEDSA-N 292.209 4.967 30 10 CJEE CCCCCCC[C@@]1(N)CC2C[C@H]3CC1C[C@@H](C2)C3 1890328327 YPLDYFAFSLFHRP-YFVGIKETSA-N 263.469 4.891 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)s1 1911647063 NIHJQGCDODCOQA-UHFFFAOYSA-N 283.179 4.951 30 10 CJEE C=C([C@H](NCC)C1CC2(CCCCC2)C1)C(C)(C)C 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4.759 30 10 CJEE C=CCCCCCCCCN1CCC(C#N)(SC)CC1 2207375851 CNTZMLOZMMZYER-UHFFFAOYSA-N 294.508 4.624 30 10 CJEE C=CCCCCCCCCCNCCOCCC1CC1 2207393123 UGQNBHYRNJNZEU-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCCCOC1CCC(CO)CC1 2207393557 VXHNLAWCVBRXHA-UHFFFAOYSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCCOc1c(F)cccc1CN 2207395142 CUCBDORXBOFMEF-UHFFFAOYSA-N 279.399 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@]1(C)CCC[C@H]1N 2207397760 VNQOEVKMWAHJQJ-FGTMMUONSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1ccc(C)cn1 2207402054 HZFTZIDKYKGCKY-KRWDZBQOSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCCC[C@H](CN(C)C(C)C)NC 2207406578 YVHMORZOYSGZOW-GOSISDBHSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCCCC[C@](C)(N)C[C@@H]1CCCO1 2207432284 NOBCAIRJMYDYIM-ROUUACIJSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@H](NCCC)[C@H]1CCCO1 2207437991 QDLOQBREXHMVJX-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](N)C[C@@H]1CC[C@H]1OC 2207438931 AAMLBPRRKHCXJT-OKZBNKHCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](OCC)C1CC1 2207441445 IQMSUFDNOLPVJV-MSOLQXFVSA-N 282.468 4.859 30 10 CJEE Cc1cc(Br)ccc1C1=CC(=O)CC(C)(C)C1 2215880541 YMKOVNLBZBKPRN-UHFFFAOYSA-N 293.204 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H]1CC12CC2 2223855894 XMCDXVDCZPRCAH-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H]1CCCC(C)(C)C1 2225435196 ZCSLRHSTBUCKTG-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCCCOC[C@H](N)C[C@H](C)CC 2225682698 WPGZJFKJUOMWAO-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE N#Cc1ccc(Cl)cc1NCCCCCCC1CC1 2225787973 OCBKLCCMZAVRFL-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](CC)COC 2227267885 KNMRTSFUDIKDLT-DLBZAZTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCN(C)Cc1cc(Cl)cn1C 2227280145 ASJBGJCCCBUGEP-UHFFFAOYSA-N 282.859 4.637 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1CC[C@@H](OCC)C1 2227284943 IZIYNOOVFYXRCK-JKSUJKDBSA-N 266.425 4.677 30 10 CJEE CCCCCC#CC[C@H](CCCC(F)(F)F)NCC 2229862979 MDXBTFUDVWBTNY-CQSZACIVSA-N 277.374 4.671 30 10 CJEE 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295.454 4.518 30 10 CJEE Fc1ccc(F)c(SC[C@H](CS)c2ccccc2)c1 94589300 RVNONMMEQSMXNU-LBPRGKRZSA-N 296.407 4.771 30 10 CJEE Fc1cccc(SC[C@@H](CS)c2ccccc2)c1 94627613 DTURCRFKNKYGHQ-CYBMUJFWSA-N 278.417 4.631 30 10 CJEE CCCCCCCCOc1cc(C)ccc1[C@H](C)O 104413425 HCBQRDSLIRZCKB-HNNXBMFYSA-N 264.409 4.788 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(CC)c(Br)c1 107478217 XRQDFUSYKDHMOW-GFCCVEGCSA-N 279.221 4.604 30 10 CJEE CCCCCCC[C@H](CN)N(C)C1CCC(CC)CC1 110020649 BMLKAWCOAODTPU-DAWZGUTISA-N 282.516 4.575 30 10 CJEE N#Cc1c(Cl)cccc1N1CCC2(CCCCC2)CC1 110258311 MWRPBSQIARVTMF-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(N)c2ccccc12 111128221 BMPCDSXECVCTCR-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCCCCNOCc1ccccc1 114342832 RMOUUFXTAMIZFM-UHFFFAOYSA-N 263.425 4.849 30 10 CJEE CCCCCCCCCCOC1(CN)CCCCC1 114800855 DCSFKZAXJANQGO-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H]1CCOC1 114995662 SOXWPEFVPKXMED-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCn1cccc1C[C@@H](N)CC 117597879 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CCCCCCCCCCC[C@H](O)c1cnn(CC)c1 167502994 JDYVLNNFIFVBDF-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccn([C@H](C)CC)n1 168462377 PCDYWKRQNJHEEJ-IAGOWNOFSA-N 293.499 4.865 30 10 CJEE CC(C)c1ccc(C(=O)/C=C\c2ccccc2)cc1 209086986 XAEZVEWROSABKH-JYRVWZFOSA-N 250.341 4.706 30 10 CJEE CCCCCCCc1nc2c([nH]1)C[C@H](C(F)(F)F)CC2 216976252 JAEDDDRNKCBQFM-LLVKDONJSA-N 288.357 4.590 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CNC[C@H]1C 226377636 STISGECLDRWOOR-IAGOWNOFSA-N 281.484 4.722 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(F)c(C(F)(F)F)c1 228471316 FGBBWBDJQUHRTN-UHFFFAOYSA-N 283.199 4.522 30 10 CJEE CCCC[C@@H](CC)Cn1ccc2ccc(C#N)cc21 233017941 XXNYUFLKCOSWGT-CQSZACIVSA-N 254.377 4.729 30 10 CJEE C=CCCCCC[C@@H](CSc1ccc(C)cc1)NC 234424695 XQVGRMXJOSENAC-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCc2ccccc2C1 234433247 DJYOGSRTDMUOFL-OALUTQOASA-N 271.448 4.516 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(Br)c1C 235741791 YAJGBLATNPBHGI-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE N#C[C@H](Nc1ccccc1)c1cc(Cl)ccc1Cl 236060524 KPRDAWVIIKJLGG-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE CCCCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CN 250830828 RADFIGVSTVZGQS-ZACQAIPSSA-N 253.474 4.994 30 10 CJEE CC(C)c1nc2ccc(C(C)(C)CC#N)cc2s1 260600453 OOCROLCCMHBJGX-UHFFFAOYSA-N 258.390 4.611 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(F)cc2Cl)C1 300495652 AGOFCKLVJZWTBA-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE Cc1cc(Sc2ccc3ccccc3c2)cc(C#N)n1 308282911 RDRHHOHUPMTFIC-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccccc2C(F)(F)F)C1 311722188 UWCFNAJNVLJYCJ-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE C=CCC(C)(C)CNCc1ccc(CC(C)C)cc1 311747265 UGMDWVBLPVWDSO-UHFFFAOYSA-N 259.437 4.577 30 10 CJEE Cc1cc(SCC[C@H](C)CCS)nc2ccccc12 311886206 XDIJEAJDVXAIKJ-GFCCVEGCSA-N 291.485 4.981 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C1CCC(C(C)C)CC1 312227235 INPDCZPSLGDEKH-DAWZGUTISA-N 277.496 4.867 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CSc1ccccc1 312329345 NCUMCDSKPGIESN-MRXNPFEDSA-N 289.488 4.587 30 10 CJEE 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30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccc(Cl)cn1 2292628900 JEWCMASUZUAQQC-INIZCTEOSA-N 298.858 4.502 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1ccc(Cl)cc1 2292708179 CVXHMYFOHGQWMX-OAHLLOKOSA-N 296.794 4.619 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCCC12CCC2 2292900654 WWBVHJQUTZICOM-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(OCCN)C1CCC(C)(C)CC1 2293140114 XRXJEWXNOXRUMP-CRAIPNDOSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1occc1C 2293454555 JOBLBLIYSFPOOZ-MRXNPFEDSA-N 281.440 4.745 30 10 CJEE CCCCCCCC[C@H](C[C@]1(C)C[C@@H]1C)OCCCN 2293966754 FXTFIXDELKFIBI-KSZLIROESA-N 283.500 4.907 30 10 CJEE C#CCCCCC[C@H](CCCCCCCC)OCCN 2294440434 ACTMQTVSLXRBEK-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@]1(C)C[C@@H]1C 2295597565 WYXVRHIYHLQSGT-JQHSSLGASA-N 282.468 4.883 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2297330103 ARYKLOKYKRKPGS-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(C)c(Br)cc1C 2304021000 CRXQJNWFGHCSLZ-BONVTDFDSA-N 296.252 4.539 30 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C=CC[C@@](C)(CC)[C@@H](NCC)c1sccc1OCC 2344374263 HCZIPMSJJNASRS-JKSUJKDBSA-N 281.465 4.790 30 10 CJEE CCCCCCC[C@](C)(Nc1cscc1C)C(=O)O 2348419879 QLTITIZKLZLFJG-HNNXBMFYSA-N 283.437 4.672 30 10 CJEE Cc1ccccc1CCOC[C@@](C)(CS)C(C)(C)C 2352174914 VLIZHYDCJPYWEM-KRWDZBQOSA-N 280.477 4.536 30 10 CJEE CCC1(C)CCC(N(C)C[C@@H](CS)CC(C)C)CC1 2353838940 AYMNLNNCOSRVOB-GTPINHCMSA-N 285.541 4.869 30 10 CJEE N#C[C@@H](C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)c1ccsc1 2354878747 BOLIETMJXNGUPT-ARLBYUKCSA-N 287.428 4.531 30 10 CJEE CCC1(CC)CSC(=N[C@H]2C[C@@H]3CCCCCC[C@@H]32)N1 2354890193 IOEDHYRYSVUKGY-KKUMJFAQSA-N 294.508 4.597 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358287062 ZQTBJPFORRJNCZ-WCVJEAGWSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1O2 2360175420 IXGQTGMWXYTPTP-XMTFNYHQSA-N 282.468 4.836 30 10 CJEE C=CCC(CC=C)Sc1cccc([C@H](C)NCCC)n1 2360367669 IUXGBBFZIQJXRV-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE Cc1cccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)c1 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272.436 4.721 30 10 CJEE CCCCCCC[C@@H](CS[C@@H](C)CC)NCC 114866671 AYSDOQCVOVXVBL-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCO1 114993761 ZOUGRJSKQKHFLT-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](C)c1ccccn1 117686701 CEBCAVSYCFMYCE-HOTGVXAUSA-N 262.441 4.524 30 10 CJEE CCCCCCCSc1cc(N)ccc1Cl 117836813 KHMRIQNMWQEQDF-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCCC[C@@H](CO)c1ccccc1F 118865864 QWYGQCUQOWZIFJ-AWEZNQCLSA-N 252.373 4.652 30 10 CJEE CCCCCCC[C@@H](Cc1csc2ccccc12)NN 122101513 SOJOBHHTCGLPFQ-HNNXBMFYSA-N 290.476 4.636 30 10 CJEE CC(C)C1CCC(C#N)([C@](C)(O)C2CCCCC2)CC1 122106001 UUAVVQLLHNCMHZ-IIIMJFFVSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccn([C@H](C)CC)n1 125019205 AMPMRSQSDKGRIR-NVXWUHKLSA-N 280.456 4.508 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C1CCC(C)(C)CC1 129798181 ROXCRWWQCXPVAE-LJQANCHMSA-N 296.543 4.965 30 10 CJEE CCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 131337636 GLOSXMFVCUDQIR-UONOGXRCSA-N 274.495 4.543 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)ccc1F 158098382 CECNWDMJPWFIMI-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CCCCCCCCNc1ccc(C(=O)OC)c(F)c1F 159393575 ZRFGRUXADSEABU-UHFFFAOYSA-N 299.361 4.524 30 10 CJEE CCCCCCC[C@H](O)C1(OCC)CCC(C)CC1 162418688 SPJNLHQGHDOADU-CGZBRXJRSA-N 270.457 4.693 30 10 CJEE N#C[C@@H]1CC1(Sc1ccccc1)Sc1ccccc1 196636903 HEZGCPFYEJNUAO-ZDUSSCGKSA-N 283.421 4.811 30 10 CJEE C/C(CCc1ccc(O[C@H]2CC[C@H](C)[C@@H](C)C2)cc1)=N/O 212832638 MXHGXTLZFHHOGL-NSNKJQGLSA-N 289.419 4.673 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccc(C(F)(F)F)cc1 212966024 UHCPUICGBXFHCX-GJZGRUSLSA-N 296.336 4.535 30 10 CJEE CC(C)[C@H]1CCCC[C@]1(O)C1(C#N)CCCCCCC1 214851326 CPUQMFOFGSVNSY-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE N#Cc1ccc(Cl)cc1NCCc1ccc(Cl)s1 226255816 NNVOYSWBNOCSST-UHFFFAOYSA-N 297.210 4.581 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2nc3ccccc3s2)C1 228475038 IYUQGXXWYMPZLD-LRDDRELGSA-N 270.401 4.559 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2cc3ccccc3s2)C1 229462075 VYNVTJYPKGNTSK-JEBQAFNWSA-N 299.439 4.829 30 10 CJEE C=C(C)[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 229751307 WXAVIJZJMDTXSW-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCCNc1cccnc1N(C)C 232926119 YKRRRJRRBFPCHA-UHFFFAOYSA-N 277.456 4.700 30 10 CJEE CCCCCCCC[C@@H]1C(=O)Nc2c(F)cc(F)cc21 232936898 SJXUNPRDRKUCQN-LBPRGKRZSA-N 281.346 4.751 30 10 CJEE C=CCCCCC[C@H](Cc1cccc(Cl)c1)NCC 233603131 AUDSKDFUNYIWFT-QGZVFWFLSA-N 279.855 4.997 30 10 CJEE C=CCCCCC[C@@H](N)c1cc2c(s1)CCSC2 236316469 ZBSJPIJUDXKCLP-CYBMUJFWSA-N 281.490 4.674 30 10 CJEE Clc1ccccc1C=Nc1ccc(Br)cc1 254819407 WVTOIXOAFYERPY-UHFFFAOYSA-N 294.579 4.853 30 10 CJEE CC[C@@H](C)c1ccc(-c2nc(CS)cs2)cc1 259435438 WKPUIEWUTCPARB-SNVBAGLBSA-N 263.431 4.753 30 10 CJEE CCn1c([C@@H](C)CC#N)cc2cc(C(F)(F)F)ccc21 260190204 YBRQFZWBHJEDHQ-JTQLQIEISA-N 280.293 4.697 30 10 CJEE C=CCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 309975728 QXYZUKNGGKVYPD-IBGZPJMESA-N 281.399 4.622 30 10 CJEE CCCCCCCOc1cccc(Cl)c1[C@@H](C)NC 311936729 WVOYUDNVTBPQBZ-CYBMUJFWSA-N 283.843 4.970 30 10 CJEE CCCCCCCCCC[C@H](C)C[C@@H]1COCCN1 312033264 YWKAQSMGCMFLLV-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCCC23CCCC3)C1 312501809 FECRXBIFOUQQSP-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CCCCCCCOc1cc(C)c(N)cc1C(F)(F)F 312550170 MABVMDKKQWIBNX-UHFFFAOYSA-N 289.341 4.945 30 10 CJEE CCCCCCC[C@@H](CNC(C)(C)C)OC(C)C 316624574 WVBJFVMXKNTMFS-HNNXBMFYSA-N 257.462 4.529 30 10 CJEE CC(C)C1CCC(C=O)(CCc2ccccc2)CC1 317896878 PJXKQTUWHMEWRI-UHFFFAOYSA-N 258.405 4.651 30 10 CJEE CC[C@@H]1CC[C@@](CC#CC(C)(C)C)(CNCC(C)C)C1 317970422 BNSWBSRTKWPXHJ-IEBWSBKVSA-N 277.496 4.868 30 10 CJEE C=C(C)CC[C@]1(CNCCC)CCC[C@H](CC)C1 318421633 KPOGPVRCHXTLQP-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CC(C)COc1ccc([C@H](C#N)[C@H](C)C(C)C)cc1 320257620 YSTLBEYUTGCHOT-RHSMWYFYSA-N 259.393 4.621 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](O)(CCC(C)C)C2CC2)C1 380327904 VTVWMRLMZCQDCM-NXHRZFHOSA-N 277.452 4.674 30 10 CJEE CC[C@H](/N=C1/N[C@]2(CCC[C@H](C)C2)CS1)C1CCCC1 382868891 OXTWGGCXQKGLKL-QRTARXTBSA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CCC(=O)c1cccc2ccsc12 386209508 HBWJJTQOQHQHMK-UHFFFAOYSA-N 256.370 4.524 30 10 CJEE Cc1ccc([C@H](C)N(C)CC2(CS)CCCCC2)s1 387281510 OHJAWLSSFDJJTD-AWEZNQCLSA-N 297.533 4.930 30 10 CJEE C=CC[C@@H](CC)N[C@@H]1CCSc2ccc(Cl)cc21 393788119 ZPDCVVFNNWUDCM-TZMCWYRMSA-N 281.852 4.821 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1 393793479 GSIZLHKMWJYJCL-ZYHUDNBSSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(COC)cc1 394018184 KJAHCVYIKXQXDI-HNNXBMFYSA-N 263.425 4.994 30 10 CJEE CC[C@H](COc1ccc(C#N)c(Cl)c1)CC(F)(F)F 402328436 SSQNXBYXRRLJTG-VIFPVBQESA-N 291.700 4.569 30 10 CJEE C=CCCCN[C@@H](C)c1csc(-c2ccccc2F)n1 462804896 QZJSQIBAHBFDKG-LBPRGKRZSA-N 290.407 4.566 30 10 CJEE C=CCOc1ccccc1CN(C)[C@@H](C)c1cccs1 507431787 GNIXKZAIJQUXEO-AWEZNQCLSA-N 287.428 4.506 30 10 CJEE C#CCCCCC[C@H](Cc1ccccc1Cl)NCCC 686697416 LOWKZDCFGDEFPK-QGZVFWFLSA-N 291.866 4.834 30 10 CJEE CCCC[C@H](CC)C/N=C1/NC2(CCCCC2)CCS1 687325481 DHYUEBXKESBVQV-HNNXBMFYSA-N 296.524 4.988 30 10 CJEE C=CCC1(NCC[C@H](C)c2ccccc2)CCCC1 690781272 LDSFFUMOBCPZRC-INIZCTEOSA-N 257.421 4.659 30 10 CJEE CCC[C@H](Nc1ccc(Cl)cc1C#N)[C@@H]1CC1(C)C 695674138 MMKZPDQIOOXHEP-ZFWWWQNUSA-N 276.811 4.838 30 10 CJEE CCC(CC)(CS)CN(C)CC1CCC2(CC1)CC2 696169744 RUJBMPGDOIKGJK-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc2c1CCCN2 696190248 QUBZJIPXGWYKHJ-GOSISDBHSA-N 275.436 4.829 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(F)ccc(N)c1F 696702450 YTGYAWUIORJVHI-CQSZACIVSA-N 285.378 4.721 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 703773125 YAROXMPNBIBJMJ-FDQGKXFDSA-N 270.420 4.739 30 10 CJEE C=C(COCCC)[C@@H](C[C@@H](CC)C(C)(C)C)NCCC 711115384 VZWKVWGOCDWZDS-IAGOWNOFSA-N 283.500 4.800 30 10 CJEE C=CC[C@@H](C)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 715058323 OKHWLNMQEBFFEF-QMTHXVAHSA-N 273.203 4.803 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 715748780 KESKUKZGXJPCQR-ONBNRTMESA-N 275.480 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc2ccccc12 715816761 ZOTWVNHVRXHVNP-KSSFIOAISA-N 253.389 4.703 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(CC)(CC)OC)CC1 724571892 XOGUFXQDGFCQLJ-KRWDZBQOSA-N 281.484 4.696 30 10 CJEE Cc1ccccc1NN=Cc1c(Cl)cccc1Cl 1083900044 HIHABCPBTYWSOI-UHFFFAOYSA-N 279.170 4.748 30 10 CJEE C=CCC1(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CCCCC1 1135506104 UYGBJSMXTKLJKQ-SJORKVTESA-N 289.463 4.552 30 10 CJEE C=CCC1(NC(=O)/C=C(\C)c2ccccc2C)CCCCC1 1140821370 OOCHKBNDXWDBSH-BMRADRMJSA-N 297.442 4.794 30 10 CJEE C=CCC[C@H](C)NCCc1cc(C)n(-c2ccccc2)c1C 1183181184 UXHGIUXGNHHBCE-INIZCTEOSA-N 296.458 4.581 30 10 CJEE C#CC[C@@H]1CCCN(Cc2cc(Cl)cc3ccccc23)C1 1195463448 LQHLXYNFVAHYAA-OAHLLOKOSA-N 297.829 4.729 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2oc3ccc(F)cc3c2C)C1 1200673275 YVBUZIJFXBRDKR-DZGCQCFKSA-N 287.378 4.715 30 10 CJEE CC#CCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 1205136738 HWOCZQJXTUJAQT-CZUORRHYSA-N 296.241 4.633 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)CCc1ccco1 1205503752 IEIMNLPXKJJWFA-HNNXBMFYSA-N 269.388 4.831 30 10 CJEE C=CC[C@H]1CCCN(C[C@@H](c2ccccc2)C(C)C)C1 1206598881 XMBCKSJJPNYMKI-PKOBYXMFSA-N 271.448 4.714 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1 1270812839 LZZDVNMDIRIVDE-NBMJBFSESA-N 299.458 4.535 30 10 CJEE C=CCCCCCCCNC(=O)C=C1CCC(C)CC1 1274904970 XLYJTYTXGWEWSO-UHFFFAOYSA-N 277.452 4.766 30 10 CJEE C=C(CC)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 1307619293 BXJUEHOBECCFBD-INIZCTEOSA-N 263.400 4.859 30 10 CJEE CCCCCCCN1[C@H]2CC[C@H]1CC(CCF)C2 1308140917 NIBKOKRTTXLAJX-HOTGVXAUSA-N 255.421 4.559 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1437636555 DGJFQURCAPBBDA-ABFRBSLYSA-N 272.388 4.529 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc2c(c1)C=CCCC2 1437771121 ROLHOGDYSYPSSN-UHFFFAOYSA-N 281.399 4.743 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1CCC(C)C 1478295701 YTTOYFHUDJDRDI-IRXDYDNUSA-N 294.483 4.732 30 10 CJEE C=CCCCCCCCNC(=O)N(C)C[C@H](C)C(C)(C)C 1478773538 GUOXMUUJJPQEOW-INIZCTEOSA-N 296.499 4.837 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 1525703106 OYKSVCAJPZAHFC-JZXOWHBKSA-N 285.431 4.589 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 1526453117 SJTYDGAKKLFROZ-MSOLQXFVSA-N 297.442 4.781 30 10 CJEE C=CCCCCCCCNC(=O)C1(C)CCCCCC1 1527924104 NTAZTKBRTKMJSK-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@]1(C)CC=C(C)CC1 1530116380 QYGYAHCVICUDMW-IBGZPJMESA-N 283.415 4.880 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCCC)[C@@H](C)c1ccccc1 1532402573 CUBVQDJUSXYQSU-DLBZAZTESA-N 287.447 4.979 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CCCCc1ccc(C)cc1 1537213539 JIUMTPDYPYTRBH-IBGZPJMESA-N 299.458 4.665 30 10 CJEE C=CC1(CC(=O)Oc2ccc(C#N)cc2CC)CCCCC1 1538388068 SJXTXADOFBMYOR-UHFFFAOYSA-N 297.398 4.553 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](C)CC1CCCCC1 1539297362 GZTWMCWXJRMOAF-RDJZCZTQSA-N 277.452 4.550 30 10 CJEE C=CCCCCCCNC(=O)c1cc(CCC)c(C)s1 1544263117 KECGBABWEVFJEN-UHFFFAOYSA-N 293.476 4.875 30 10 CJEE C=C[C@@H](C(=O)N(CCCC)c1ccccc1)c1ccccc1 1545269653 LSBIYXBDGFSKIJ-LJQANCHMSA-N 293.410 4.790 30 10 CJEE C=C[C@@H](CC(=O)OCc1ccc(C)cc1C)c1ccccc1 1585277343 PRNYUTIIXGKGAO-KRWDZBQOSA-N 294.394 4.707 30 10 CJEE CCCOc1ccc(/C=N/c2snc3ccccc23)cc1 1616046323 FQMKWHBHUKUJSP-LDADJPATSA-N 296.395 4.836 30 10 CJEE C=CCN(Cc1ccc2c(c1)CCCC2)c1ccccc1 1621262308 PZMDGERKYOAJOS-UHFFFAOYSA-N 277.411 4.758 30 10 CJEE C=C[C@H](C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C)c1ccccc1 1625518376 BNWXOPLXDPNRHI-SZMVWBNQSA-N 299.458 4.629 30 10 CJEE C#CCCOc1ccc(CNC2(C)CCC(C)(C)CC2)cc1 1651428156 YCGUYFIKMNDTHM-UHFFFAOYSA-N 299.458 4.537 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1 1652792612 YKBMQPJQUFOESK-INIZCTEOSA-N 269.432 4.742 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)c1ccc(C)cc1 1652806348 MDJROMIBKAGXPT-QXAKKESOSA-N 271.448 4.823 30 10 CJEE C#CCCCCCCN(CC)Cc1ccc(Cl)cc1 1653245537 WAHGRQUFWUJWHU-UHFFFAOYSA-N 277.839 4.746 30 10 CJEE C#CCCCCNC(=O)Nc1cccc(C2CCCCC2)c1 1663659789 LMIUJWWAEOVONI-UHFFFAOYSA-N 298.430 4.659 30 10 CJEE C=CCCC(C)(C)CNC(=O)NC1(C)CCC(C)(C)CC1 1675071259 VROVQHXQXAEUAX-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)NCCCCCCCCC)C1 1682386868 ZWOQTXKZCCATNH-QGZVFWFLSA-N 294.483 4.735 30 10 CJEE CCCC1CCC(COc2cccc(C#N)c2)CC1 1878370603 FJESONFLNCHLKO-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE C=C1CCC(CN(C)C2CC3(C2)CC(C)(C)C3)CC1 1884406229 BDJZSPQKRQVFMF-UHFFFAOYSA-N 261.453 4.633 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 1885275148 RYAJUBNPJFYJGJ-LXTVHRRPSA-N 278.245 4.685 30 10 CJEE CC#CCCCC[C@](N)(CC)C1CCC(F)(F)CC1 1885379903 FFWMHLYKKSTQAT-OAHLLOKOSA-N 271.395 4.503 30 10 CJEE CC#CCCCC[C@@](N)(CC)C1CCC(C)(C)CC1 1885379918 FLLLMUJHRSXEKF-SFHVURJKSA-N 263.469 4.894 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)c1ccccc1C(C)C 1887453398 RAWSUZJINZNRGP-MAUKXSAKSA-N 257.421 4.510 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(CC)s1 1888681496 FMBPDIUBJAFNRT-QGZVFWFLSA-N 271.429 4.675 30 10 CJEE C=C(CC)C[C@H](N)c1ccc(Cl)c(Cl)c1C 1901153757 LMBRIDLOSCJLFQ-LBPRGKRZSA-N 258.192 4.658 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1cccc(Cl)c1C 1913034370 KKUTZWXLBCSWEN-CQSZACIVSA-N 279.855 4.771 30 10 CJEE CCCCCCC[C@H](NC)C1CC(OC(C)(C)C)C1 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C=CCCCCCCC[C@@](C)(O)c1ccc(O)cc1 2227276268 QFUCKCPDNDJQAG-QGZVFWFLSA-N 262.393 4.516 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cc(C)c(C)s1 2227289108 YIBDRSICUIWSKQ-OAHLLOKOSA-N 280.481 4.786 30 10 CJEE C=CCCCCCCC[C@@]1(N)CC[C@@H](P(C)(C)=O)C1 2227289127 YNIVRGFDIDKFCR-HZPDHXFCSA-N 285.412 4.776 30 10 CJEE C=CCOCc1cc2sc(CN[C@@H](C)CC)cc2s1 2230199712 PXXCCRGZJNMHOR-NSHDSACASA-N 295.473 4.554 30 10 CJEE CCCCCCCCCOc1c(F)cc(N)cc1F 2230982907 KOAPBVDBLXHLJW-UHFFFAOYSA-N 271.351 4.676 30 10 CJEE CCCCCCCCCCCOC1CC(NCC)C1 2231017098 OZPQCTJVFMKSDD-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@H]1O 2231073223 RFRJAIOOKMFRBC-CVEARBPZSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCCOC[C@H](N)C1CCC1 2231081814 YUULUPBWTLLHDK-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=C1CCC(C[C@H](N)[C@H](C)c2ccc(C)cc2)CC1 2232085969 NXLLDWMXCTVWIE-QAPCUYQASA-N 257.421 4.562 30 10 CJEE FC1(F)[C@H]2CCC[C@@H]1C[C@H](CC[C@@H]1CCC[C@H]3O[C@@H]13)C2 2233689498 HYJZTKFGVHRWBH-KLOLGFOXSA-N 284.390 4.796 30 10 CJEE 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4.763 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCCC[C@@H]1C 2277220842 UIGCVMZYJADGNQ-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1ncc[nH]1 2278245562 MTUZLBUZIJQWNW-GJZGRUSLSA-N 265.445 4.590 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](O)c1sccc1CC 2283092668 UBLMSBZSYQNIPD-CVEARBPZSA-N 297.508 4.683 30 10 CJEE C=C([C@@H](NCCC)c1c(F)cc(C)cc1F)C(C)(C)C 2283505375 DYDIGGSNAJYWBP-MRXNPFEDSA-N 281.390 4.916 30 10 CJEE CC[C@](C#N)(CCCSC[C@@H]1CC[C@H](C)C1)NC(C)C 2284037826 HHJSRJJKIOSJIR-GVDBMIGSSA-N 296.524 4.606 30 10 CJEE CCN[C@H]1CCCCCC[C@@H]1CC=CC#CC(C)(C)C 2284091490 XZAYMVUDCFJGFB-MSOLQXFVSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C(F)(F)C1CCCCC1 2284136479 COFKRFDITFAJJD-OAHLLOKOSA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc2ccccc2s1 2284156955 BZVWOPWFDMKRQY-HNNXBMFYSA-N 283.440 4.897 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1CCCCCC1(F)F 2284178431 MDGCLZNLCNYHKB-CABCVRRESA-N 283.406 4.525 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(CC)NC1CC1 2287097024 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HUJARNPAXHEIMJ-QGZVFWFLSA-N 261.453 4.847 30 10 CJEE C[C@H]1CCC[C@H](N(C)CC2(CS)CC(C)(C)C2)CC1 2345011004 PQXHNRZHWADBGA-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE C#CCCCCCCCOc1cccc(Cl)c1C=O 2353002145 PCACYFXFCZENOX-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE CSc1cc(Nc2ccc(Cl)c(F)c2)ccc1C#N 2353838111 OYHSJCJIZRNAOC-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@@H]1O2)NC 2355049230 HFRYWVLTMMXNFT-TVFCKZIOSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NCCC)C[C@@H]2CCC[C@H]21 2360206005 SEVZDWYFYOJMQZ-HPBDAGMYSA-N 293.520 4.797 30 10 CJEE CC/C(=N\O)c1ccc(OCc2ccc(Cl)s2)cc1 21810886 FJPILLFOIXVLSF-DTQAZKPQSA-N 295.791 4.569 30 10 CJEE CCCCCC#C/C=C1\Cn2c(nc3ccccc32)S1 34897692 ZIPCVDHCAONNHX-GXDHUFHOSA-N 282.412 4.610 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCCc2ccccc21 36954386 YNPTUOBNMCYOHB-MRXNPFEDSA-N 282.774 4.701 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2cnc3ccccc32)C1 37147488 HUHFUASCMVHHKI-JJRVBVJISA-N 281.403 4.563 30 10 CJEE C[C@H]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 37334124 KTBAZRUOXFJDKB-GWCFXTLKSA-N 283.293 4.535 30 10 CJEE COc1ccc([C@@H](C#N)C2CCCCC2)cc1Cl 41357823 DZJOQSZXMNWEOL-ZDUSSCGKSA-N 263.768 4.536 30 10 CJEE N#C[C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 57750233 GYCGDTUKMQTFSE-GFCCVEGCSA-N 294.156 4.982 30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccc(C)c(C)c1 59083621 FMGZFJRPSPGFET-GOSISDBHSA-N 277.452 4.680 30 10 CJEE CCCCCCCCN(CCCN)c1ccc(C)cc1 59203593 YEYYTCSINCITKA-UHFFFAOYSA-N 276.468 4.511 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(CC)s1 59276859 IIXREFAGLSEXOW-AWEZNQCLSA-N 253.455 4.932 30 10 CJEE Clc1cccc(Cl)c1/C=N/C1CCCCC1 71780641 IQOJYHRXYFKRAP-CXUHLZMHSA-N 256.176 4.745 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86922568 OZQKSVJNIQYTHD-GDBMZVCRSA-N 256.393 4.719 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccccc1F 94580709 GCPRPJIZWVNWEW-UHFFFAOYSA-N 283.456 4.778 30 10 CJEE CCC[C@H](CS)COc1ccc(C(C)(C)C)cc1 94582792 KEJOUFNZGHONRO-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE CCC(CC)(CS)CO[C@@H](C)c1ccccc1 94583683 OAIPCOYKYQMLQU-ZDUSSCGKSA-N 252.423 4.500 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2C#N)cc1F 94837037 JFLTUQZXMXJHGW-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCOc1ccc(CN[C@H](C)CC)cc1 100038348 WFZOPVSJEXFZBB-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCOc1ccc(N/C(C)=C\C(=O)c2ccc(C)o2)cc1 105082250 QCELFOBZLZXBNP-SEYXRHQNSA-N 299.370 4.575 30 10 CJEE C#CC[C@@H](C)c1ccc(OCc2ccccc2)cc1C 107616520 KADJSVGQVLVLBR-OAHLLOKOSA-N 264.368 4.701 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)CCOC1 110213353 CYQGFIGIXSZLDS-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)CC(=N)N 110322470 OYLGZJNXPKGIKI-INIZCTEOSA-N 283.504 4.554 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCc2cccc(C)c2)C1 110354998 FPXSYVYHRZLHPY-DJIMGWMZSA-N 273.445 4.947 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1nccs1 112977759 IFJKNEJDALRJGG-CHWSQXEVSA-N 254.443 4.543 30 10 CJEE CCCCCCCCn1ccc2c(CCN)cccc21 114675821 XXPOOSUOTSCMHN-UHFFFAOYSA-N 272.436 4.503 30 10 CJEE CCCCCCCCCCC[C@@H](CC[C@H]1CCCO1)NN 123526538 AAEWPDYNMWBMSO-ZWKOTPCHSA-N 298.515 4.698 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1cc(F)ccc1Cl 124128833 DSDGJGCERLKQCB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(F)cccc1Cl 125800467 BUDBMNMAQXNSHO-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccc(F)cn1 125814697 QNVVEDZBDXKTDZ-OAHLLOKOSA-N 266.404 4.622 30 10 CJEE CCCCCCCC(=O)C[C@@H](C)c1ccc(N)cc1 126711543 MKOGPHIVZAVIIG-CQSZACIVSA-N 261.409 4.692 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCCc3ccccc32)c1 127801213 GFEUKYMOSNSIJL-INIZCTEOSA-N 282.774 4.701 30 10 CJEE CCCCCCC[C@@H](O)c1ccccc1OC(C)C 129509566 KWSSNCPHRCGCGO-MRXNPFEDSA-N 264.409 4.868 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1cnn(CC)c1 131994956 MUJCRJUHSXAUNT-GOSISDBHSA-N 293.499 4.694 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccoc1C 132845527 BHXDCXSKUPPBRL-INIZCTEOSA-N 251.414 4.989 30 10 CJEE CC#CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133171210 QFFKEUPGLQLNPP-GVDBMIGSSA-N 277.496 4.867 30 10 CJEE Cc1cc(Nc2ccc(Cl)cc2C)ccc1C#N 133346771 FUUAGISOVIMYNL-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1OCCc2ccccc21 135351679 IKOUIMYERWEBBY-RTBURBONSA-N 290.447 4.802 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@@H](N)CCCC2 135742704 MIVMUWJVMCPCIO-SFHVURJKSA-N 276.468 4.965 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnc(C)cn1 143465140 JTWYHYJCAXPIQE-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 185658651 MAFTWDLWCFWJLB-AEFFLSMTSA-N 285.431 4.651 30 10 CJEE Cc1cc(C)c(Nc2ccc(C#N)cc2C)c(C)c1 203458541 XDDYLCWUFAUXDT-UHFFFAOYSA-N 250.345 4.536 30 10 CJEE CCCN(CCC)[C@H](C#N)c1ccc(C(C)(C)C)cc1 212982426 LRTCCNPATHNKDO-QGZVFWFLSA-N 272.436 4.671 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@@H](C)C2)CC1 218601314 ZXUDUOBIQXVTHW-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE CCCC1CCC(Nc2c(C)cccc2C#N)CC1 221029503 MKONSWMONICULX-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE CCCCCCCC(=O)CC[C@H](CCN)C(C)(C)C 226455606 JQTQRZICVZDEGI-OAHLLOKOSA-N 269.473 4.707 30 10 CJEE Cc1cc(C#N)ccc1CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229153557 QHYYBSJYNQRYHE-ZHALLVOQSA-N 283.415 4.598 30 10 CJEE CC#CCC[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC 229322993 LMLAHNYNICFAMI-WDSOQIARSA-N 271.448 4.598 30 10 CJEE Cc1ccc(C#N)cc1OCc1cccc(Cl)c1Cl 232335504 YJVVPSCFBMGLEO-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC(C)C)C1CC1 232963098 ORQRWALZGRLGEX-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252435834 LPXISHODBVGQRW-HRCADAONSA-N 259.418 4.606 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N 252819490 NCYLPPQZISESPV-GZBFAFLISA-N 288.460 4.907 30 10 CJEE C=C(CNc1cccc(C)c1Cl)c1ccccc1 302257480 DOCQGMVFJDPMQR-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE CCCCCCCOc1cc(C)c(N)cc1Cl 310230482 PWSHKXPUEOZVIE-UHFFFAOYSA-N 255.789 4.580 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccccc2C(F)(F)F)C1 311350821 NUUGVNITVHXJFE-RISCZKNCSA-N 267.294 4.677 30 10 CJEE CCCCCCCCCCC[C@@H](NC)C1=COCC1 311898492 APANNUWSXRDUMD-QGZVFWFLSA-N 267.457 4.800 30 10 CJEE C[C@H](CN(CCC#N)c1ccccc1)C1CCCCC1 312530744 JVRAAZPSPMGTNC-MRXNPFEDSA-N 270.420 4.623 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)ccc1Cl 313447059 RTLPGUNJRRRARS-INIZCTEOSA-N 282.859 4.903 30 10 CJEE C#CCCCC1(CNC(C)(C)C)CCC(C)(C)CC1 318248744 MKBBBVXFXUHAKT-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@](C)(CNC(C)C)OC(C)C 318352156 WYSJBIVIYLDQEJ-INIZCTEOSA-N 257.462 4.529 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@H](C3CCCCC3)CS2)C1 386128081 NPQYADRORURZTO-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE N#CCc1cc(C(F)F)c2ccsc2c1Cl 396194765 VFHQRDXLOJQCQO-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)[C@]1(C#N)CCC[C@@H](CC)C1 397732566 WXHYAWFHLDKXKP-AHCXZYCDSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)CC(C)(C)C 401227832 HYVVPSJLBAEAJD-OAHLLOKOSA-N 269.473 4.850 30 10 CJEE CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512649188 QTYOKKALOUFUQS-IFXJQAMLSA-N 296.389 4.745 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H](C)CC(C)(C)C 686691937 XHCFGESETJYVTP-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCCCC[C@@H]1COC[C@@H]1NC 687997826 QLFOTUACCLXXJZ-SJORKVTESA-N 269.473 4.532 30 10 CJEE CSCCCC1(C#N)CC(C)(C)CC(C)(C)C1 688336110 YIAHWNOCFPAMKJ-UHFFFAOYSA-N 253.455 4.876 30 10 CJEE Cc1nc(Nc2cc(Cl)c(C)c(Cl)c2)ccc1C#N 690246971 JPIAKBCZTKPDDZ-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)cc(F)c1F 690966132 BPKUIWCHNBXAJV-JOYOIKCWSA-N 284.737 4.503 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H](C)c1ccc(N)cc1 696722450 ABARNMDMKUGIRD-QAPCUYQASA-N 277.452 4.874 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2ccncc2c1 702682727 UGJWVIYBTYQNSX-GOSISDBHSA-N 270.420 4.856 30 10 CJEE C=CC[C@@H](CC)NC1CCC(C)(c2ccccc2)CC1 705454613 ASFJHQJLFWYMOY-LMDPOFIKSA-N 271.448 4.831 30 10 CJEE CCCCCCCCCC(=O)[C@]1(C)CCCC[C@H]1N 709941938 FFGNWLQIWVCGKG-NVXWUHKLSA-N 267.457 4.604 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c(Cl)c1 714277422 SYXUXQAAKGTFFX-VNHYZAJKSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)ccc1C 715707852 ZORNMDGYWSVFCB-DOMZBBRYSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)n1ccc2cccc(CNC(C)(C)C)c21 715801583 YNNPEBJWIAHYSM-CQSZACIVSA-N 270.420 4.667 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(F)c(Cl)c1 718511699 UPNCRWRXVMPFCH-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C[C@@H](Oc1ccc(C#N)c(Cl)c1)C1CCCCC1 719756608 RGXNYUDFFMPUMT-LLVKDONJSA-N 263.768 4.559 30 10 CJEE CN(CCCCCCCCCS)C1(C(F)(F)F)CC1 720690198 XJECSYFBXIGKFJ-UHFFFAOYSA-N 297.430 4.674 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCCC[C@H]2C)CC1 724553207 HAYVOGFBDGGDMT-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](C)C2CCC2)CC1 724607533 OCEQDLGLDVINOZ-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE Cc1ccc2nc3c(c(C)c2c1)[C@H]1O[C@@H]1c1ccccc1-3 725421574 XGAXQVOCXOFDNH-RTBURBONSA-N 273.335 4.645 30 10 CJEE C=CCCCCCCCNC(=O)c1ccccc1Cl 1129576282 BLINNNQKBHVIRS-UHFFFAOYSA-N 279.811 4.596 30 10 CJEE C=CCCC1(CNC(=O)C(C)(C)CC(C)C)CCCC1 1131111425 KARZFBWKGWZCIA-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCCC[C@@H]1CC 1182326575 JEXLLJWREADLTM-XUVXKRRUSA-N 285.475 4.980 30 10 CJEE C=C(C)c1cccc(NCc2c(C)nc3scc(C)n23)c1 1207742899 ZOWICMRCURNJPF-UHFFFAOYSA-N 297.427 4.658 30 10 CJEE C=CCCCCCCCN1CCC[C@H]1c1cc(C)on1 1209437958 AKYYZQWWISTAHT-KRWDZBQOSA-N 276.424 4.647 30 10 CJEE C=CCCCCCCCCNC(=O)N(C)CC(C)(C)C 1229460345 MOOXBWPIRRJTLD-UHFFFAOYSA-N 282.472 4.591 30 10 CJEE C=CCCCCCN1CCC=C(c2ccccc2)C1 1307759188 YBJWAEHGMRWYNU-UHFFFAOYSA-N 255.405 4.522 30 10 CJEE C=C(C)CCC(=O)Nc1sc(-c2ccccc2)cc1C#N 1355948473 CSROPYVXPNLYQD-UHFFFAOYSA-N 296.395 4.582 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H]2CCC[C@H]2CCC)C(C)C)c1 1358267396 IMRIETCZDQZVFJ-MJGOQNOKSA-N 297.442 4.626 30 10 CJEE C=CCCN(C)C(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1435917576 NUYHJJDYWXIODU-ROUUACIJSA-N 299.458 4.631 30 10 CJEE C=C[C@@H](C(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 1450403829 DPYRIWWOJSKCQS-LJQANCHMSA-N 291.394 4.862 30 10 CJEE CCCc1ccc([C@H](Nc2ccc(C#N)cn2)C(C)C)cc1 1458160624 HNFPMWATTWSIOO-LJQANCHMSA-N 293.414 4.715 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1C[C@H]1c1ccccc1 1462030524 CKHUCMYBHKLHQV-WMZOPIPTSA-N 283.440 4.540 30 10 CJEE C=CCC[C@H](CC)N[C@H](Cc1ccccc1)C(C)C 1462575395 BRNWXCKHAQZFDK-ZWKOTPCHSA-N 259.437 4.588 30 10 CJEE C=CC(C)(C)CCCNC[C@H](CC)c1ccccc1 1474256677 SRNWSBPXVYZSRJ-INIZCTEOSA-N 259.437 4.762 30 10 CJEE C=CCC[C@H](C)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1474662869 AGFBGBNQLVEQOG-WBAXXEDZSA-N 257.421 4.815 30 10 CJEE C#Cc1ccc(NC2CCC3(CCC3)CC2)c(Cl)c1 1474731314 HHPURGDCPFIAJY-UHFFFAOYSA-N 273.807 4.846 30 10 CJEE C=CC1(CC(=O)N[C@@]2(C)CCCC[C@@H]2C)CCCCC1 1528073579 PNUURZBLLQOVMB-RDJZCZTQSA-N 277.452 4.598 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@H](CC)CCCC 1537213009 DDXNXEMYCCNSKZ-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)/C=C\C1CCCCCC1 1538890691 VUFYGWURBPRCMC-NELOFGKNSA-N 289.463 4.764 30 10 CJEE C=CCC1(C(=O)N(CCC)CC2CCCCC2)CCC1 1583107475 QHJAYARLEVPEDD-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=C[C@H](CC(=O)N1CCCC1(CC)CC)c1ccccc1 1583801039 OAFSSOQWNFRHOE-MRXNPFEDSA-N 285.431 4.528 30 10 CJEE C=CCCCC(=O)Nc1nc(C2CCCCC2)c(C)s1 1587805612 BCXIPSKFMMZRRI-UHFFFAOYSA-N 292.448 4.794 30 10 CJEE CC(C)Cc1ccc(C#Cc2ccc(F)cc2F)cc1 1614827115 LOKGJUYMSKJVCZ-UHFFFAOYSA-N 270.322 4.563 30 10 CJEE C=C[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 1617548027 GCHLGDOICDYEIN-HKUYNNGSSA-N 292.378 4.577 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](CC)C(C)(C)C)c1ccccc1 1617557290 RNQLXNILTXAVGS-JKSUJKDBSA-N 274.404 4.919 30 10 CJEE C=C(CC)CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1 1618559354 QMUIHNIIJCLIDC-QZTJIDSGSA-N 257.421 4.611 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]1 1621139890 YQYZUSCVCFJSDK-UHFFFAOYSA-N 290.410 4.665 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1c(F)cccc1F 1642963666 LEKTTWWMNIFONE-UHFFFAOYSA-N 287.353 4.543 30 10 CJEE C=CCCCCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 1643425370 IJQCNJLYZOHHRC-IBGZPJMESA-N 299.458 4.587 30 10 CJEE C=C1CCC(CNCc2ccccc2OCCCC)CC1 1651531583 CHVDUJRDPVKSNH-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCCCCN1CC[C@H](c2ccc(C)cc2)C1(C)C 1655443242 YSUKKFWTJVSJCA-GOSISDBHSA-N 271.448 4.919 30 10 CJEE C=CCCC[C@@H](C)NCc1cc2cc(C)c(C)cc2o1 1655985652 SDSXCNAYLVNYJJ-OAHLLOKOSA-N 271.404 4.884 30 10 CJEE C=CC(C)(C)CCCNCC(C)(C)c1ccccc1 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CC#CCCC[C@H](NC)c1cc(-c2cccs2)cs1 1879642445 ZIPFXWOQKGZFQQ-AWEZNQCLSA-N 289.469 4.931 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CCOC(C)(C)C1 1883431394 CHQWDLAVGWXYCW-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE O=C(C=C1CCC1)c1cscc1OCc1ccccc1 1883916773 HTTLJAZPZVPWGI-UHFFFAOYSA-N 284.380 4.620 30 10 CJEE C=C1CCC(CN2CC=C(c3cccs3)CC2)CC1 1884407385 MWPBMXWRUBXDJT-UHFFFAOYSA-N 273.445 4.584 30 10 CJEE CCC1(CC)CSC(=N[C@H]2CCC3(CCCCC3)C2)N1 1915908050 LCTTVONIBXEJJD-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCCCCCCCC[C@@H]1NCCCn2cccc21 1917189797 XYYTWTMHGDYUCN-INIZCTEOSA-N 262.441 4.663 30 10 CJEE CCCCCCCCC[C@H]1CCN[C@@H](C(F)F)C1 1918497190 RIPJJIVUBMCIDO-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@](C)(O[C@@H](CC)C1CCC1)C(=O)O 1919017731 STXVDTURNBDZGU-RDJZCZTQSA-N 284.440 4.786 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CC1(C)CCCC1 1919401080 DJDZVJZIOCPFHE-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@](C)(N)CC1CCC(F)CC1 1919520518 BTUMWSMLNZPPSO-GPANFISMSA-N 257.437 4.983 30 10 CJEE 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C=CC1CC(N[C@H](C)c2cccc(Cl)c2Cl)C1 2011162596 LDJGKRJPFZFTCK-KPPDAEKUSA-N 270.203 4.609 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Cl)sc2C)CC1 2019783266 LEYJJWGSRFNUNV-ZDUSSCGKSA-N 270.825 4.880 30 10 CJEE CCCCCCC[C@H](C)NCc1nc(Cl)cs1 2020410534 WGHMDFNRUCTHON-NSHDSACASA-N 274.861 4.635 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC[C@H]2C[C@H]21 2027534964 YCWVSGJTKILBKF-YESZJQIVSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@]1(N)CCCC[C@H]1C(F)(F)F 2028096518 VICOZVYYJKJDOH-OLZOCXBDSA-N 265.363 4.797 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H](CC(C)C)C(C)C)CC1 2028252262 MZPQSYSEJILFKM-IAGOWNOFSA-N 251.458 4.769 30 10 CJEE CCCCCCCC[C@]1(N)CCCc2ccsc21 2034303307 AOCAZBHHFDAZBK-INIZCTEOSA-N 265.466 4.989 30 10 CJEE C=C([C@H](CCC1CCCC1)NCCC)C(C)(C)C 2035415062 AUVVLQQFTMMPHV-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CC)CC1(F)F 2036115779 KQYJMHIPHVGYEB-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccsc1C(F)(F)F 2039894788 QBHVDETZYHGGGU-SNVBAGLBSA-N 297.773 4.950 30 10 CJEE 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CJEE CC(C)=CCC[C@@H](C)Nc1ccc(Cl)c(C#N)c1 2070407961 LHQOPRUVBVMRIG-GFCCVEGCSA-N 262.784 4.758 30 10 CJEE CCCCCCCCN(C)C1[C@H]2CCC[C@H]1CC2 2074911563 NKALNZRLJSWNDR-HOTGVXAUSA-N 251.458 4.857 30 10 CJEE CCCCCCCCN(C)CC[C@@H](C)C(F)(F)F 2074912462 XMKUURYVFOZAHA-CYBMUJFWSA-N 267.379 4.867 30 10 CJEE C=CCCCCCN(C)[C@H](C)C1CCC(C)CC1 2075117510 UQEIYIABUUKPMK-AQFXKWCLSA-N 251.458 4.879 30 10 CJEE CC#CCCCC[C@@](C)(O)[C@@H]1CCCC(C)(C)C1 2075364079 VEDWBAXUEUOKTB-NVXWUHKLSA-N 250.426 4.538 30 10 CJEE C=CCCCCC[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1 2075717247 ZVSUMUBNFGJYRP-BBWFWOEESA-N 250.426 4.844 30 10 CJEE CCCC#CC[C@H](NCC)c1c(Cl)cccc1Cl 2083408354 OQBQHQGXRYSXCS-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE C=CCCCCCC[C@@H](O)CSC1CCCCC1 2085841982 MKFRUOUSOGPZRH-OAHLLOKOSA-N 270.482 4.940 30 10 CJEE C=CCCCCCC[C@@H]1CCC(C)(C)[C@@H](NC)C1 2085846130 CQLHRVSAQQLGHL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](CC[C@@H](C)CCCC)NN 2085945844 VYIRMGMFQYQQJG-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE C=CCCCCCCCCN1CC[C@H](CCF)C1 2086235132 ZFNRIXBLURDNNA-INIZCTEOSA-N 255.421 4.585 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)C=C1CCCCC1 2089641470 YLOWHAQLPPZVHK-YQQAZPJKSA-N 260.421 4.908 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCC(C)(C)C)NCC 2091171707 LLEYVQUCSHIHLC-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE C=C(CC)C[C@H](NCCC)C1CC2(C1)CC(C)(C)C2 2100960693 UDTFEWJUXLXFMV-INIZCTEOSA-N 263.469 4.927 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)C1(C)CCCCC1 2101386234 VMGMJLFIHATKQT-CQSZACIVSA-N 256.393 4.523 30 10 CJEE C=C[C@H](N[C@H]1CCCC[C@H]1C1CCCCC1)C1CC1 2101998477 CELFNGZOAMYMGB-BZSNNMDCSA-N 261.453 4.680 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1C 2102102226 BJFHIBNNOYMWPZ-CXAGYDPISA-N 263.400 4.777 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(C(F)(F)F)o1 2102109206 WZRIXBXXVAZTRC-MFKMUULPSA-N 275.314 4.551 30 10 CJEE C=CCC[C@H](C)C(=O)[C@H](O)CCCCCCCCC 2102113338 YGWGXUXYVUUBOO-JKSUJKDBSA-N 268.441 4.659 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1csc(C(F)(F)F)c1 2102477875 UTKHWFDBOMDFRB-ZYHUDNBSSA-N 289.366 4.774 30 10 CJEE C#CCCCCCN[C@H]1CCC[C@H](C(C)(C)C)CC1 2103217092 OVBIJJPGELDDPG-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CCC(CC)(C(=O)C1=CCC(F)(F)CC1)C(F)(F)F 2107346344 WTRUNVWOLXUHNH-UHFFFAOYSA-N 284.268 4.670 30 10 CJEE CCCC[C@](C)(C#N)[C@@H](O)C(C)(C)C1CCCCC1 2108212879 GLRWMZDHMAYXRV-DOTOQJQBSA-N 265.441 4.674 30 10 CJEE CCCC[C@](C#N)(CC)C1(O)CCC(C(C)C)CC1 2108213142 IUNJOPIGBPMWQF-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE C=CC1(CC(=O)c2cc3cc(F)ccc3s2)CCC1 2111698819 PNHATTCMJXAUJX-UHFFFAOYSA-N 274.360 4.970 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCC2(CC2)C1)NN 2112743670 UIEDQHDCSIWPOK-JKSUJKDBSA-N 266.473 4.539 30 10 CJEE O[C@H](CCC#CC1CCCCC1)c1ccccc1Cl 2113407908 GPWPCCINQBADJJ-QGZVFWFLSA-N 276.807 4.737 30 10 CJEE C=C(C[C@@]1(CNC(C)C)CCCC(C)(C)CC1)OC 2114552466 DYMMWOGCQJPDOY-QGZVFWFLSA-N 267.457 4.511 30 10 CJEE CCCC[C@@](C)(C#N)C1(O)CCC(CC)(CC)CC1 2114900516 FZLXWIGXZAJIEA-HNNXBMFYSA-N 265.441 4.818 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCCC[C@H]1C1CCCC1 2114997581 RDVRCPWCNQPVMC-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE CCC[C@@H]1CCC[C@H]1Nc1cc(Cl)c(C#N)cc1F 2120885398 QNMRTNQNWYIRMA-QMTHXVAHSA-N 280.774 4.731 30 10 CJEE C=CCCCC[C@@H](O)c1cc(F)cc(C(F)(F)F)c1 2123113112 ZCNNQSZUUWEYEH-CYBMUJFWSA-N 276.273 4.624 30 10 CJEE CC[C@H](CC(F)(F)F)C(=O)C1=CC[C@@H](C(C)C)CC1 2125195563 TVSPPYCZTGZQJC-VXGBXAGGSA-N 276.342 4.917 30 10 CJEE CC[C@@H]1CC=C(C(=O)Cc2ccc(C)c(C)c2)CC1 2125223230 NAVQBWHACXWPMC-OAHLLOKOSA-N 256.389 4.552 30 10 CJEE CC(C)(C)CC1CC(Nc2cccc(Cl)c2C#N)C1 2131676856 HJGYXOMJMTYHKK-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC(=O)[C@@H]1C[C@H](OC)C12CCC2 2133856883 UHTWYQMUGPGHJQ-HOCLYGCPSA-N 266.425 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2134471703 BXULGMVHCGMACH-DGMUWCQMSA-N 264.453 4.780 30 10 CJEE CC(F)(F)C1(C[C@@]2(C=O)CCCCC23CCC3)CC1 2134775336 IRLBVIKAOQHGTJ-MRXNPFEDSA-N 270.363 4.742 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1 2135330834 HZJBYQKLDSLNHS-KURKYZTESA-N 261.453 4.667 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@@H](C)c2cc(C)sc2C)N1 2136523428 ACMUKWGYXKDMGX-CHIMOYNISA-N 296.505 4.533 30 10 CJEE CCCCCC#CCSc1cccc([C@H](C)NC)c1 2138955170 VVQCJICSUJOYND-HNNXBMFYSA-N 275.461 4.643 30 10 CJEE CCCC#CC[C@@H](NCCC)c1cc(C)cc(C)c1 2138964352 VCFMSXYOGGNXHQ-GOSISDBHSA-N 257.421 4.538 30 10 CJEE C#C[C@@H](NCc1cc2cscc2s1)C1CCCCC1 2138974987 KYUYPPIIAMPEMX-OAHLLOKOSA-N 289.469 4.635 30 10 CJEE CCCCCC#CC[C@]1(N)CCCC12CCCCC2 2138994353 PTPGLORPGFWXFA-SFHVURJKSA-N 261.453 4.792 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(Cl)c1OC 2139387307 SIVMVWAJSOBGKD-SWLSCSKDSA-N 281.827 4.602 30 10 CJEE CC(C)(C)[C@@H](CS)COC1CC2(C1)CC1(CCC1)C2 2140243802 CJJSMHGGVVHXTJ-CYBMUJFWSA-N 282.493 4.708 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ccc(C)cc1F 2141911807 SXUGVASUQDJTPH-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE C=CCCCCCC[C@H](NN)c1cc(Cl)ccc1C 2141915061 XQOCVGLQCFXYSU-INIZCTEOSA-N 280.843 4.679 30 10 CJEE C=CCCCCCC[C@H](NC)C1(C(C)(F)F)CCC1 2141915475 BNYVEVWFGNFLSC-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE 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C=CCC(CC=C)[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)C 2338723789 APCDLAHYDBDCNB-JQHSSLGASA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@@H]21 2338739040 RRENOHIJOQYEHG-FJIDUMEYSA-N 261.453 4.559 30 10 CJEE CC(C)[C@H](O)C(C)(C)C[C@@]1(C#N)CCCC(C)(C)C1 2340376283 VXZCGYBNQRQKAC-WMLDXEAASA-N 265.441 4.530 30 10 CJEE C#CCCCCC[C@@H](CCCCC1CC1)NCCC 2341413530 VJCSJLVHBLPEJJ-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=C(C)C[C@@H](C[C@H]1CC(F)(F)C12CCC2)NCCC 2341922079 IRQZYPDDMGIIDF-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C(C)C[C@H](C[C@H]1CC12CCC(F)(F)CC2)NCC 2341931980 VGSNLSFDYIFJMJ-UONOGXRCSA-N 271.395 4.536 30 10 CJEE N#CC1(CO[C@@H]2CCC3(CCCC3)C2)CCCCC1 2343594759 LPNWKVIGIKEAKA-OAHLLOKOSA-N 261.409 4.590 30 10 CJEE CCC(CC)(CS)CSC[C@H](OC)c1ccccc1 2343668838 AJVULJCUIOGGNO-HNNXBMFYSA-N 298.517 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(CC(C)C)cc1 2344336567 KCDUJENMAINGBU-ROUUACIJSA-N 259.437 4.877 30 10 CJEE CSc1ccc(Nc2ccc(C#N)c(SC)c2)cc1 2353832263 PNQRUIXBLMGDKN-UHFFFAOYSA-N 286.425 4.746 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354890714 NNBGRLNZUSNUPS-NUTKFTJISA-N 288.822 4.982 30 10 CJEE C=CCC(CC=C)O[C@H](c1cccc(Cl)c1)[C@@H](N)CC 2360212326 FLLPTTRAUPQNDT-DLBZAZTESA-N 293.838 4.656 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CNC1CCC1 2360379412 VMXSKLOBWODPSN-NSHDSACASA-N 297.414 4.664 30 10 CJEE CC1CCC(CS[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 2360506528 MCJFASNPJOHALG-XGHPGWEVSA-N 296.524 4.605 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccc(Cl)cc2)c(C)c1 37936001 ORDIJVANBSFUNQ-INIZCTEOSA-N 270.763 4.634 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 37937043 ZGIVBKVQXAWCIY-CQSZACIVSA-N 294.251 4.521 30 10 CJEE CC(C)(C)c1ccc(-c2ccc(C#N)c(Cl)n2)cc1 43401832 UGLZQLPYWMFGMC-UHFFFAOYSA-N 270.763 4.571 30 10 CJEE CCCCCC[C@H](C)OCCCC[C@@](C)(C#N)NCCC 45323929 WYUCZLKQXJNACQ-ROUUACIJSA-N 296.499 4.814 30 10 CJEE Cc1ccccc1[C@H](C#N)Cc1cccc2ccccc12 57739091 BOPLVNDHNQTMAQ-SFHVURJKSA-N 271.363 4.998 30 10 CJEE CCN(CC)c1ccc(/C=N/c2ccc(C)cc2C)cc1 59513744 RPVJEPRLYDSXJJ-XSFVSMFZSA-N 280.415 4.900 30 10 CJEE Cc1nc2ccc(Cl)cn2c1/N=N\c1cccc(C#N)c1 71591930 YJLGYTMGQQZKOF-VXPUYCOJSA-N 295.733 4.583 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@@H](C2CC2)C1 81631522 DLFXOQGRORMPAQ-DOMZBBRYSA-N 274.795 4.592 30 10 CJEE CC1(C)CC(C#N)(c2ccc(Cl)cc2Cl)C1 86517095 VYNGVWKNPYDAQE-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE CCC[C@@H](CS)COc1ccccc1[C@H](C)CC 94583188 OTPPNHPCTUPANY-ZIAGYGMSSA-N 266.450 4.925 30 10 CJEE Cc1cc(OCC[C@@H](C)CCS)cc(C)c1Cl 94584457 AFHHZXRFNIGZIP-SNVBAGLBSA-N 272.841 4.682 30 10 CJEE Cc1cc2ncn(CC3(CS)CCCCC3)c2cc1C 94586531 JWASJNFFYCRRGC-UHFFFAOYSA-N 288.460 4.533 30 10 CJEE C=C(C)CC[C@H](CCc1ccc(C)cc1)NCCC 97419545 PHFCIDUNLSRQTK-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCc1cc(C=O)cc(OC)c1OCCCCCCC 100132726 OXPBPGRAKICYFK-UHFFFAOYSA-N 290.403 4.585 30 10 CJEE CC(C)c1ccc(C(=O)/C=C\Nc2ccccc2F)cc1 103029911 VRWCEHZWRCBKOZ-QXMHVHEDSA-N 283.346 4.758 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccccc1C(C)C 104006811 KHHVMERONMUSMQ-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE Cc1ccc(Oc2ccc(C#N)cc2C)c(Cl)c1 104170051 JUWSQAZQTJDXJF-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)c(OCC)cc1OCC 107676086 FLOUALNTTLKQEE-LBPRGKRZSA-N 280.795 4.654 30 10 CJEE CCc1cccc(C)c1Nc1cccc(Cl)c1C#N 110250738 INPZFSYERRLUJT-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 112978721 JNYKPTWMQDYGFF-OCCSQVGLSA-N 268.470 4.851 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1CNC 113078637 UVILGJJVMFQKKO-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccccc1[N+](=O)[O-] 115858361 ZWVHXZCOLCSVIQ-MRXNPFEDSA-N 292.423 4.605 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)c(C)cc1F 122078606 QPDGKBRMRGBZLB-MRXNPFEDSA-N 269.379 4.894 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCO[C@@H]1C 125080541 ZETGRWCDBQTFAE-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCC1CCC(n2c(S)nc3c(C#N)cccc32)CC1 126031424 VVTBRDNQXUNRIL-UHFFFAOYSA-N 299.443 4.728 30 10 CJEE CCCNC/C(=C/c1cccc(C#N)c1)C1CCCCC1 127602943 QCWVKXZHFOJNPQ-UYRXBGFRSA-N 282.431 4.522 30 10 CJEE CCCCCCCCCCN1CCC[C@H](NCCC)C1 129472719 ODRIEBFUJYRWNU-SFHVURJKSA-N 282.516 4.591 30 10 CJEE N#CC1(Nc2ccc(F)cc2)CCC2(CCCC2)CC1 129608892 AALBAFWJAVKYNK-UHFFFAOYSA-N 272.367 4.634 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](OC)C1CCCCC1 131106343 JLKYUVRKHROIQV-QZTJIDSGSA-N 298.515 4.554 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1cccc(C(C)C)c1 131342671 VYFNAGKYIPJOAJ-UHFFFAOYSA-N 279.339 4.677 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1CCCCO1 134439713 ONQLAHQZPPUEJN-SJORKVTESA-N 270.457 4.837 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 135244600 SIKAKXJQBNLIGS-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1ccc(Cl)c(F)c1 156271196 BFQKRHUTTAWNOY-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](OCC)C(C)C 158231283 RJOXJHOKRIRDAZ-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCCCC(=O)CCc1ccc2c(c1)CCO2 165863905 POSNXHQBDQVZDS-UHFFFAOYSA-N 288.431 4.874 30 10 CJEE C=C(C(=O)c1ccc2ccccc2c1)c1ccccc1 200137742 XRSSCZOYAAOHSI-UHFFFAOYSA-N 258.320 4.736 30 10 CJEE CCCCCCCCC(=O)[C@H](OCC)C(C)(C)C 227428263 SOJXFXLXSDBLSK-HNNXBMFYSA-N 256.430 4.757 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)nc1C 232919685 PUQWRIYZVTYADN-UHFFFAOYSA-N 282.815 4.733 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cccc(C)c2C#N)CC1 233922995 RCLDJOQOKOTLCY-CABCVRRESA-N 256.393 4.638 30 10 CJEE C=CCCCCCC(=O)c1cc(Cl)c(OC)c(OC)c1 234812218 OIFJHSCAHXWZON-UHFFFAOYSA-N 296.794 4.676 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCC[C@H]1CC 252993383 DFNZMTRSLDBKSI-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 253000719 JMPZNKULRTZQFO-LTIDMASMSA-N 268.489 4.641 30 10 CJEE C[C@@H](CC#N)c1csc2cccc(C(F)(F)F)c12 259914946 CPHLWKPSDKBQLS-QMMMGPOBSA-N 269.291 4.937 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cc(C)sc1C 383651904 JLFMRCMCYBMVLU-GFCCVEGCSA-N 251.439 4.618 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(F)c(Cl)c1 384889893 SZTDEDFZMIVRFT-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=C(C)CCNCc1ccc(F)c(-c2cccs2)c1 387432446 OKSZDOOXOYWXIQ-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE CCCCCCCCCC(=O)[C@H](CC(C)(C)C)NC 387490900 ZAMLNJFGXMBVHP-HNNXBMFYSA-N 269.473 4.720 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1C[C@@H]1CC(C)C 387640716 AXLFKOHHMZSWFY-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE C=C(COC(C)C)[C@H](NCC)c1cccc2ccsc12 387708049 YKXHWNMRDUIXSN-INIZCTEOSA-N 289.444 4.533 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2CCCC[C@H]2O1 393518667 RMPCBVVKYGXQNW-FGTMMUONSA-N 281.484 4.674 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2ccc(C)cc2)C1 394541899 UHLCHKCTLLBGTJ-HLLBOEOZSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC[C@]1(F)CCCN[C@@H]1C 396634221 GYSPRCBDDKQNFC-CVEARBPZSA-N 257.437 4.997 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](C#N)C1CCCC1 397136380 VNNSLRHSFADUHV-ZFWWWQNUSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccccc1Br 398112236 NNVCGVYDFVSRLS-OLZOCXBDSA-N 296.252 4.845 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(Cl)cc1Cl 398128240 ULFVKDYUCYICEM-LLVKDONJSA-N 272.219 4.828 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC[C@H]2CCOC2)CC1 401097260 WWEBZCORCMCIFM-HJOIGYKYSA-N 280.452 4.615 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cscc1Br 404788575 BRKIJHNMNXKASX-GFCCVEGCSA-N 288.254 4.518 30 10 CJEE CC(C)=CCC[C@H](C)CCNCC1CCC(C#N)CC1 443065583 QQJSJJJWPHHFTM-AOCRQIFASA-N 276.468 4.679 30 10 CJEE C=CCCCN(C)C(=O)C(C)(C)c1ccc2ccccc2c1 607836180 BHCMCZCIQCRSOP-UHFFFAOYSA-N 295.426 4.542 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@H](C)O[C@@H]1C 686448822 LMTXBGBAHNUXIE-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@@H](CSC1CCCCC1)NCC 686681707 WMWSWRKIJFKKAV-INIZCTEOSA-N 281.509 4.614 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC(C)(C)c1ccccc1 686736665 QJEQTBCVMMPYMD-QAPCUYQASA-N 258.405 4.750 30 10 CJEE Cc1cc(Nc2cccc(C3CCC3)c2)ccc1C#N 690288064 CLBSRQDAHMLTAP-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCN(C)C1 690423155 WCEFMOUPLUVCJK-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE C=CCC1(Nc2ccc3ccccc3n2)CCCC1 690788507 FPWKZRJVKJJMGR-UHFFFAOYSA-N 252.361 4.536 30 10 CJEE CCCCCCCN[C@H](CC)c1cccc(F)c1 703763757 VQGVDBROVCSLKV-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE C=CCCC(C)(C)CNc1nc2ccccc2s1 703975295 USBISQNRFKWGAR-UHFFFAOYSA-N 260.406 4.701 30 10 CJEE CC1CCC(C#N)(CC2(c3ccccc3)CC2)CC1 704042622 MRGLXYBEECGOOM-UHFFFAOYSA-N 253.389 4.828 30 10 CJEE COc1ccc(C#N)c(Oc2cccc3sccc23)c1 705116746 DOIZITHTTJQPFM-UHFFFAOYSA-N 281.336 4.574 30 10 CJEE C[C@H]1C[C@H](N(C)CC2(CS)CCCC2)CC(C)(C)C1 708583190 FBFHPEJJNUYTJW-GJZGRUSLSA-N 283.525 4.623 30 10 CJEE C=C(C)CCOC[C@@H](NCCC)c1c(F)cccc1Cl 708923569 DUPHKSXZRXQZQD-OAHLLOKOSA-N 299.817 4.503 30 10 CJEE CC[C@@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C 711076549 XZFAJCVRVLWPKX-LBPRGKRZSA-N 292.810 4.613 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCCC(C)(C)O2)CC1 714382240 JMSRJQSJYVNCSH-CKDBGZEDSA-N 266.425 4.510 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(F)c2ccccc12 715749798 PRQORPQWHDDFDQ-UGSOOPFHSA-N 271.379 4.842 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H]1CCCCC1(C)C 715759285 PECLVRNZDPODPM-HRCADAONSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCN[C@@H](C)c1ccns1 716053811 IUKCNBDBYLTSQA-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)C[C@H](C)CO1 718493155 SUIDOKXISPCLGL-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C1CCC(C[C@@H](O)c2csc3c2CCCC3)CC1 724577328 OXJONHFTMGBLGP-MRXNPFEDSA-N 276.445 4.797 30 10 CJEE N#Cc1ccc2sc(C(F)(F)F)c(C(F)F)c2c1 725277059 YQHQKYMTWDXMFG-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=CCC[C@H](C(=O)N[C@H]1CCCCC1(C)C)c1ccccc1 1126988685 KDHOSOJHHLHWRD-ROUUACIJSA-N 299.458 4.821 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2sccc2c1 1130905088 VGDODDAJAZEKKP-CJNGLKHVSA-N 299.439 4.766 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(Cl)c(OC)c(OC)c1 1182626281 XDXCQPSATYIQEQ-LBPRGKRZSA-N 297.826 4.904 30 10 CJEE C=CC(C)(C)CCCN[C@H](CCC)Cc1ccccc1 1207447933 GZRBUIITDLDCRB-GOSISDBHSA-N 273.464 4.980 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2c(F)cccc2F)CCCC1 1271041213 MKARSZYVRMTEBF-LBPRGKRZSA-N 294.341 4.706 30 10 CJEE C=CC[C@H](C)NCc1cccc(-c2ccccc2C)c1 1308270717 MVSARUVILRIHQF-INIZCTEOSA-N 265.400 4.716 30 10 CJEE C=CCC(CC=C)C(=O)NCc1ccc(C(C)(C)CC)cc1 1435633517 XQANILPCMQBYPF-UHFFFAOYSA-N 299.458 4.759 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268.347 4.617 30 10 CJEE C=C(C)CCCCN(C)[C@H]1CCC[C@H](P(C)(C)=O)C1 2271838398 FWOZPZHJLGVVRH-HOTGVXAUSA-N 285.412 4.599 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)[C@@H](CC)CCC 2272082402 ZIYILOMEMNXOQU-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)sc1C 2273899136 CNYNMDKITMPXHR-HNNXBMFYSA-N 295.879 4.944 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)sc1C 2273899137 CNYNMDKITMPXHR-OAHLLOKOSA-N 295.879 4.944 30 10 CJEE CC1(C)CCC[C@@](CN)(CC#CC2CCCC2)CC1 2274192090 IOBUKEMOWLOCBD-SFHVURJKSA-N 261.453 4.506 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H](C)CC)OCCN 2276826392 LIGGMKLVDTXXFK-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@@H](C)CC 2278116160 YYVZZZJBKSAMHL-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C=CCOc1ccc([C@H](O)CCCC[C@@H]2C[C@@H]2C)cc1 2280450713 DWDDRKXOVALRQS-YXJHDRRASA-N 274.404 4.501 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(C)nn(CC)c1Cl 2281402369 DXJQJWBJMNPFFM-CQSZACIVSA-N 297.874 4.652 30 10 CJEE CCc1cccc2ccn(CC=CC#CC(C)(C)C)c12 2284092425 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2291461139 DTIQATOHHYFDLF-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1C(C)(C)C1(C)C 2293358470 ZMVVLJRIVZTNQJ-SFHVURJKSA-N 283.500 4.763 30 10 CJEE C=CC1(C[C@H](CCCCCCC)OCCCN)CCC1 2293529980 HWAXRLRBOJSYDQ-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1CC12CC2)OCCN 2293623949 OOUZEURXUQOIJO-SJORKVTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCCC[C@@](CC)(OCCN)C1CCC1 2293774366 VGHDRBZCCGXCAY-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCN)C1CC(CC(C)(C)C)C1 2294420913 YNTKOSUHEMKFDC-JCYILVPMSA-N 281.484 4.539 30 10 CJEE CN[C@@H](C#Cc1ccccc1Cl)C[C@H](C)CC(C)(C)C 2295212886 XRBVHJUAAAQBMQ-HOCLYGCPSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cn(C(C)C)cn1 2295596539 LHMDEGWPTSYXLS-KRWDZBQOSA-N 279.472 4.779 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCCC(F)F 2295676216 ISMNGYYYZSHRNB-GDBMZVCRSA-N 293.442 4.641 30 10 CJEE CCCCCCCCC[C@@]1(C)C(=O)CCN1CC(C)C 2295685834 BDICYLITOMWJQX-SFHVURJKSA-N 281.484 4.817 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(Cl)s1 2298940328 UZBGDKBYIFNNNU-UHFFFAOYSA-N 286.849 4.838 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc(Cl)c1Cl 2301013186 OFMWCVWSPLCLSE-AWEZNQCLSA-N 270.203 4.762 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C)s1 2304024418 KPDIATRZTQCXPN-CABCVRRESA-N 251.439 4.700 30 10 CJEE Cc1c(C[C@]2(C=O)CC[C@@H](C)C2)ccc(Cl)c1Cl 2316689895 FHQBCBJCUUOEQN-BMIGLBTASA-N 285.214 4.850 30 10 CJEE C=CCCCCCCCN[C@H]1C[C@H](C)S[C@H](C)C1 2317765376 SAMZGHAAAJVUPU-MUJYYYPQSA-N 269.498 4.775 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CC(C)(C)[C@@H]2C)CC1 2318255798 RJWAOXDPKVPHPA-GJEMEMOUSA-N 250.426 4.700 30 10 CJEE CCCC(CS)(CCC)COCC[C@H]1C[C@@H]1CC 2320433665 AFGXYWDSHYUNPF-GJZGRUSLSA-N 272.498 4.956 30 10 CJEE C=CC[C@H](C)[C@@H](CCC(C)(C)C(F)(F)F)NCC 2321146627 ACSNDYNRLVUXGU-NWDGAFQWSA-N 265.363 4.545 30 10 CJEE C=CCC(C)(C)[C@H](O)c1sc2ccccc2c1C 2321235359 WWVDYBOWBVJXPQ-OAHLLOKOSA-N 260.402 4.845 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CCCC2(CC2)C1 2327116374 SRKKOQFHNMQEEX-ZFWWWQNUSA-N 270.482 4.708 30 10 CJEE C[C@@H]1[C@@H](OC[C@](C)(CS)C(C)(C)C)CCC[C@H]1C 2327160358 KQYQWNIWEZEMLB-ORIJERBGSA-N 272.498 4.810 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2328624606 ATNRCKHGCDQZLD-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE c1ccc(CCCON=C(c2cccs2)C2CC2)cc1 2330347257 MGGCSJHSFZRGAE-UHFFFAOYSA-N 285.412 4.512 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc2c(c1)CCC2 2330481531 MZNQQSNKJGTRFF-UHFFFAOYSA-N 299.801 4.770 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)NC)C1 2332777581 CVKDEYKDERJNQL-RYQLBKOJSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CC2(CCC(C)CC2)C1 2337111727 AHOSZCWYSCTIGI-PASYZDRLSA-N 261.453 4.680 30 10 CJEE C#C[C@@H](NCC=C(C)CCCC(C)C)C1CCCC1 2338446265 FYFZHPYDQABXAV-GOSISDBHSA-N 261.453 4.541 30 10 CJEE C=CCSc1ccc(CN[C@@H](C)CC)c(C2CC2)c1 2339165046 GLPAHJWKRBTUCJ-ZDUSSCGKSA-N 275.461 4.730 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(F)ccc1C1CC1 2341791493 ZBQOQVFYGNYAJP-KRWDZBQOSA-N 261.384 4.839 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COCC1(C#N)CCCCC1 2343191389 LZLBEVUFUZSMKE-CABCVRRESA-N 263.425 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(OC)ccc1Cl 2344340059 OHXULDHGTWERSF-HOTGVXAUSA-N 281.827 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@]1(C)CCCC1(F)F)NCCC 2344349352 RZLPLYNPKYKADG-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1COC 2358323273 IPLMUAGSRWXEOX-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@]12CCC[C@@H]1CC2 2359888281 IYBADOOGVBSSFG-CEXWTWQISA-N 273.464 4.519 30 10 CJEE Cc1ccc(-c2[nH]c3ccc(C)cc3c2CC#N)cc1 19725596 JMEMFELFNFIBKD-UHFFFAOYSA-N 260.340 4.518 30 10 CJEE CCN(CC)C1(C#N)CCCCCCCCCCC1 37355241 HBECSEACQHZDLW-UHFFFAOYSA-N 264.457 4.895 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cc(Cl)cc(Cl)c1 37939048 HLUDYKUDIMRNPS-CQSZACIVSA-N 295.144 4.809 30 10 CJEE COc1ccc(C(C)C)cc1C[C@H](C#N)c1ccccc1 57761177 SGIUHOZSFQUWNP-GOSISDBHSA-N 279.383 4.668 30 10 CJEE CCCCCCCOc1cc(OCCC)ccc1C(=O)O 59272136 DINWVBSLLQHIRW-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccnc1N1CCCC1 59422838 MCLQNSBAJBOZGM-MRXNPFEDSA-N 289.467 4.843 30 10 CJEE C=CCCOc1ccc2ccccc2c1CNC(C)(C)C 71274968 VELQTVGYRFKDIW-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE CCc1ccc(OC)c(-c2cc(C#N)c(C(C)C)o2)c1 77079795 UUUGDKZXQDTUNA-UHFFFAOYSA-N 269.344 4.513 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccccc2Br)C1 87930324 CSZMSEOXASDKRP-IUODEOHRSA-N 292.220 4.712 30 10 CJEE CCCCCCCCCCOc1ccccc1CC(=O)O 90195511 GMTGONKIHKPQEG-UHFFFAOYSA-N 292.419 4.833 30 10 CJEE C[C@@H]1CCC[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91875774 QBVMWSLEXVRBIP-RYKRPPSOSA-N 277.452 4.674 30 10 CJEE CN(CC1(CS)CCCCC1)C1CCCCCC1 94579201 VEUXZNNUOJFMCE-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CSc1ccccc1OCC1(CS)CCCCC1 94585195 IBVWPRMHCVVSQZ-UHFFFAOYSA-N 282.474 4.668 30 10 CJEE Cc1ccccc1CSCC1(CS)CCCC1 94589558 XGEDHMGOKSGFFP-UHFFFAOYSA-N 266.475 4.718 30 10 CJEE C=C(CC)C[C@H](NC)C1CCC(C(C)(C)C)CC1 97208888 QVOPZWYJBZYRLK-GPANFISMSA-N 251.458 4.783 30 10 CJEE N#CC1(Sc2ccc(F)cc2)CC2(CCCC2)C1 97329201 PHKFGUPQJXPOOR-UHFFFAOYSA-N 261.365 4.534 30 10 CJEE c1ccc(/N=C(\c2ccccc2)c2cccs2)cc1 103667463 QRUPTPOZRURCHI-ISLYRVAYSA-N 263.365 4.917 30 10 CJEE CCCCCCCn1cc(C#N)c2c(C)cccc21 107045712 OOJHKGRKZSDODE-UHFFFAOYSA-N 254.377 4.792 30 10 CJEE CC#C[C@H](C)[C@H](C)c1c(OC)cc(C)c(Cl)c1C 107626198 RWMGKJUMGWOGTM-JQWIXIFHSA-N 264.796 4.728 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1cc(F)cc(F)c1 109083355 XWIDQKIVNOTZLK-HNNXBMFYSA-N 279.330 4.502 30 10 CJEE CCCCCCCCCCCCN(CCC)CC(=O)OC 110045507 BLWHBMBZPBCUQD-UHFFFAOYSA-N 299.499 4.792 30 10 CJEE CCCCCCCCO[C@H](C)CN[C@@H](C)CCC 110239606 LLBBBDQGUZLJOZ-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE Cc1ccc(N/C=C/C(=O)c2cccs2)cc1Cl 110408370 MYCNHAHMSXKHHB-VOTSOKGWSA-N 277.776 4.518 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)N[C@H](C)C1 111784600 ZDSKCSCUUWBFRD-HDICACEKSA-N 282.516 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CCC(C)C)C2CC2)C1 113052227 WOEVCQQYQCECMN-JFIYKMOQSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@H]1CC(C)C 114060771 NCZVNYGIYBZVPX-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NC[C@@H]1C 114066741 GQGGUQRAAIKXBN-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1CC 115213398 BASJPXWBKFJIAX-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(OC)c(OC)cc1C 115856955 LPAULOWFGMLAFK-MRXNPFEDSA-N 293.451 4.763 30 10 CJEE CCCCCCCCCCCc1nnc([C@@H](C)NCC)o1 115862021 DNHJDOPEGQOJCE-OAHLLOKOSA-N 295.471 4.813 30 10 CJEE CCCCCCCC[C@@H](N)C1(N(CC)CC)CCCC1 118175613 VKZKHRUTOIUPJH-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(C)nc1C 122646464 ZOEHVYAEEPUNGV-SFHVURJKSA-N 291.483 4.734 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(C)o1 122674159 DCOUCRBTDMGRDB-OAHLLOKOSA-N 266.429 4.623 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccccc1C(C)(C)C 122938955 QBKDDSQWUDCBKZ-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCOc2ccccc21)NC 123125404 ASSVVGOGTNSPHE-DLBZAZTESA-N 289.463 4.891 30 10 CJEE N#CC1(CCSC(F)(F)F)CCCCCCC1 130948474 HKCIPJYEZFHRFV-UHFFFAOYSA-N 265.344 4.884 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccoc1C 132693167 UIQWROGIGYPIHX-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE Cc1cc(Oc2cc(C(C)C)ccc2C)c(C#N)c(C)n1 156604250 LGMZJBWCBACDJR-UHFFFAOYSA-N 280.371 4.794 30 10 CJEE N#CC1([C@@H](O)c2ccccc2C2CC2)CCCCCCC1 156835004 FWVIOHOEKJTBBU-SFHVURJKSA-N 283.415 4.852 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1C 162635103 GEASCBSAYIEOTN-XLIONFOSSA-N 279.427 4.947 30 10 CJEE CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 162912556 QEJAAHDGVURBLU-CQSZACIVSA-N 290.838 4.614 30 10 CJEE CCCCCCCCCC(=O)[C@H]1NCCc2ccccc21 168310665 GKJHXDUSSUKMDG-IBGZPJMESA-N 287.447 4.583 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(Cl)cc1Cl 168947601 TYFHFDZCJGXYQM-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(C(F)(F)F)cc1 220987365 HHRCFTJWUAQDGF-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCC(C)(C)CC2)C1 228405170 WPHQFZVYYGBMMH-NUJGCVRESA-N 290.495 4.996 30 10 CJEE C=C(C)CC[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229346019 ZDCOWANTGHZKNU-UPMGZUDPSA-N 275.480 4.927 30 10 CJEE Cc1ccc(C#N)c(NCCCCCCC(C)C)c1 232541333 WBYWXNFYHODVKH-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE Cc1cccc(N[C@@H](C)c2csc(Cl)c2)c1C#N 235538675 SNPBDYXVQIXGQG-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCCCCN1CCC[C@@H]1[C@H]1CCCCC1=O 250811509 HSTVCWFFMPBCCU-IAGOWNOFSA-N 279.468 4.571 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252426943 WVBLKQRSWQDHFU-OWCLPIDISA-N 286.394 4.777 30 10 CJEE Cc1cccc(C=Nc2ccc3c4c(cccc24)CC3)c1O 252631005 VGQROOFMJFFLIS-UHFFFAOYSA-N 287.362 4.703 30 10 CJEE C[C@@H](C#N)Cc1csc2cccc(C(F)(F)F)c12 260206762 YZOUDIKLCNWGSX-MRVPVSSYSA-N 269.291 4.622 30 10 CJEE COc1c(C(F)F)ccc(C)c1C1(C#N)CCCCC1 260356241 FYKBICTWMSDPRV-UHFFFAOYSA-N 279.330 4.667 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 300279559 KNFIXJWGLWQEMO-IRUJWGPZSA-N 296.197 4.606 30 10 CJEE C[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 300279560 KNFIXJWGLWQEMO-SUZMYJTESA-N 296.197 4.606 30 10 CJEE CCCC(CS)(CCC)COCC(CC)CC 302283508 JRHXJLFEZWLDFO-UHFFFAOYSA-N 260.487 4.956 30 10 CJEE C#C[C@@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C(C)C 302446293 WWTDSOBZJQZVKP-HUUCEWRRSA-N 284.230 4.692 30 10 CJEE C=CCCCCNCc1ccc(SC(F)(F)F)cc1 311638929 QRMBCLFHFHANGK-UHFFFAOYSA-N 289.366 4.744 30 10 CJEE N#CC1([C@H]2CCOC3(CCSCC3)C2)CCCCCC1 312613592 XHJBXHXYTIZMES-HNNXBMFYSA-N 293.476 4.543 30 10 CJEE N#Cc1ccnc(N[C@@H]2CCCC23CCCCC3)c1Cl 312999106 DNMBKZWTFCVMOT-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC3(CCCC3)O2)C1 317290096 KLPVCENQZQSLHE-BRWVUGGUSA-N 278.436 4.654 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(C)nc(Cl)c2)C1 321302748 MCWYZSVLWJMEBQ-CJNGLKHVSA-N 276.811 4.696 30 10 CJEE CCC(CC)(CO)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 322145560 CNYXKWVABZWXFY-QLFBSQMISA-N 297.508 4.625 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)C1CCC1 325212222 AANFRHZEIBLEFE-CQSZACIVSA-N 271.514 4.623 30 10 CJEE C=CCCCCCCNc1cc(Cl)ccc1C(=O)O 382276359 QKSQSRQSGHBIOB-UHFFFAOYSA-N 281.783 4.587 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCCC12CCCC2 384063948 ZMEIGVMSCQWIDN-GOSISDBHSA-N 268.404 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CCCCCCCCC[C@@](C)(O)COc1ccccc1 699400714 FGIKGOZNBKZPAA-GOSISDBHSA-N 278.436 4.957 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CCCOC1CCCCC1 699953385 MQSWYZXOXCFALX-WBVHZDCISA-N 263.425 4.836 30 10 CJEE CCCCCCCCCCNC[C@H]1CC(C)(C)CO1 708327613 WNAPERZAOOHMBP-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C[C@@](C#N)(CC1CCCCC1)NC1CCCCCC1 709755231 GANXXXXUORMRTG-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE C=C(Cl)C[C@H](CCCCCCCCCCC)NN 710628106 WJNVXWKHUYWWIJ-HNNXBMFYSA-N 274.880 4.882 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1Nc1ccc(Cl)c(C#N)c1 713042681 JHWSNYJWGNCYCC-NHYWBVRUSA-N 276.811 4.838 30 10 CJEE C=CCCCCCCN[C@@H]1CC(C)(C)CC[C@@H]1C 713079834 XGZXWGBZKIYDAM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C1CCCCC1)C1CC1 723881649 PXGZQGSWMKCACM-GOSISDBHSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(Cl)s2)CC1 724553824 OILYKEOWWHILSF-LLVKDONJSA-N 255.814 4.538 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2C[C@H]3CC[C@H]2C3)NCC)CC1 724581589 CKXVBHKUCKIFHV-VJANTYMQSA-N 275.480 4.927 30 10 CJEE 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C=CCCC(C)(C)CNC(=O)c1cccc(-c2ccoc2)c1 1287604348 ZWQXPEJFWPDDRA-UHFFFAOYSA-N 297.398 4.669 30 10 CJEE C=C[C@H](C(=O)Nc1cccc(C(C)C)c1)c1ccccc1 1290042602 KBAFPLDLWLNJFR-SFHVURJKSA-N 279.383 4.718 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCCC[C@H]1CC 1308792237 OOTUXALWFFFPQI-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CC#CCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 1352561281 CMEVFLSZDFGYKB-UHFFFAOYSA-N 293.366 4.611 30 10 CJEE C=C(CC)C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 1442807380 AQYCDVXOPKGUGU-HNNXBMFYSA-N 295.382 4.622 30 10 CJEE C/C(=C/Cl)CSCc1cc(Cl)cc(C#N)c1 1459056125 RKDLHYSMPYNBKU-UITAMQMPSA-N 272.200 4.587 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC[C@H](C)CCC 1466315814 VPUPQGDZZSDEJZ-OAHLLOKOSA-N 288.435 4.753 30 10 CJEE C#Cc1ccc(CN2CC[C@H](C)Sc3ccccc32)cc1 1474524039 ZWZFCEISHHDJAD-HNNXBMFYSA-N 293.435 4.559 30 10 CJEE C#C[C@H](NCC[C@@H](C)CCC=C(C)C)c1ccc(F)cc1 1474544306 NOTUYAYZDOCCSJ-LPHOPBHVSA-N 287.422 4.862 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 1477187861 WPATYJLCOIFTMM-QGPMSJSTSA-N 298.430 4.810 30 10 CJEE C#CCCCCCC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 1518079122 GPDJBWKUVGXRNL-RBUKOAKNSA-N 298.426 4.758 30 10 CJEE C=CCC1(C(=O)Oc2cccc3ncccc23)CCCCC1 1526501432 NGPCTOJXNKGQMA-UHFFFAOYSA-N 295.382 4.667 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccccc1 1533766124 IUQFSDXBFKGPQR-KZNAEPCWSA-N 299.458 4.882 30 10 CJEE C=CCC[C@@H](NC(=O)c1csc(C)c1C)c1ccccc1 1534343824 HBECNPBZMZKVFU-QGZVFWFLSA-N 299.439 4.802 30 10 CJEE C=C1CCC(CNC(=O)c2ccc(C(C)(C)CC)cc2)CC1 1534406160 GTINYOTXJURLKP-UHFFFAOYSA-N 299.458 4.850 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)CC2CCCC2)CCCC1 1538899743 UWSPNDREYVQEQV-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C=CCCCCCCNC(=O)c1cccc(C(F)F)c1F 1544262802 FZIKOTMDSWMCGQ-UHFFFAOYSA-N 299.336 4.630 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(C(F)(F)F)cc1C 1560758529 AURZPSGTRSZREM-HNNXBMFYSA-N 285.353 4.848 30 10 CJEE C=C(C)CCN[C@H](CC)Cc1ccc(C(F)(F)F)cc1 1560842049 LGVIQVBBJUOFHF-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C=C1CCC(C(=O)N(C)c2c(Cl)cccc2Cl)CC1 1583082418 MKBMLOGQFKMXJJ-UHFFFAOYSA-N 298.213 4.703 30 10 CJEE Fc1ccc(C#Cc2cc(Cl)cc(Cl)c2)c(F)c1 1614730786 HPYUBDGRLIUQLS-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 1617251931 DEUAJLNNQZDLOD-MRXNPFEDSA-N 285.387 4.521 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C2CCC2)cc1 1617465264 FCTSMVDBJAAGMO-PKOBYXMFSA-N 297.442 4.819 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)CC1 1650957265 FSUKGPUGIIOHOI-CABCVRRESA-N 290.476 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(Cl)cc1Cl 1654215396 OGUZSHDTUPHDTH-RISCZKNCSA-N 299.245 4.613 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)c1ccc(OC)cc1 1655045232 PGXIPSNXODCXOA-SUMDDJOVSA-N 287.447 4.523 30 10 CJEE C=CCC(C)(C)CNCc1ccc(C(F)(F)F)cc1C 1656311751 JBAGFVHTYQQBNH-UHFFFAOYSA-N 285.353 4.706 30 10 CJEE C#Cc1cccc(N[C@H](C)Cc2ccc3c(c2)CCCC3)c1 1657681872 HACBYPVTDCAFBT-MRXNPFEDSA-N 289.422 4.590 30 10 CJEE C=CCN(CCc1ccccc1)CCC1CCCCC1 1659167061 FQAGVBOTBYKYLY-UHFFFAOYSA-N 271.448 4.688 30 10 CJEE CCCCCCCCC[C@H](NN)C1(C(C)C)CCC1 1876763765 HQEXGVMYBFOBIV-INIZCTEOSA-N 268.489 4.785 30 10 CJEE CC#CCCC[C@H](O)c1ccc(C(F)(F)F)c(Cl)c1 1879643580 ISTYBOIVWDMUSH-ZDUSSCGKSA-N 290.712 4.586 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1C[C@@H]2CC[C@H]2C1 1882921813 PCFFKZROMVFJGO-OALUTQOASA-N 269.432 4.501 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H](C)C1=O 1883839184 CUKUIHPDKJAVEP-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCCCCN(C)CCOC(C)(C)C 1883862035 MFQZDGTVIWPMDX-UHFFFAOYSA-N 271.489 4.874 30 10 CJEE CC#CCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 1885235069 CWQIVBVGTAGLEA-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE CC#CCCCCC[C@H](NCC)c1ccccc1C 1885235559 HMXVXSUWOXLNPG-SFHVURJKSA-N 257.421 4.619 30 10 CJEE CC#CCCCC[C@H]1CCCC[C@@H]1CNC(C)(C)C 1885236423 KGNCFOPWARBJOX-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@H]1C[C@H](NCCC)CC(C)(C)C1 1885238447 USLUZOKYGZVVBN-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@H](O)c1ccc(CC(C)C)cc1 1885238458 WDBWMPWNYUPPNX-SFHVURJKSA-N 258.405 4.502 30 10 CJEE C=C1CCC(C[C@](O)(CC)Cc2ccccc2)CC1 1886357142 ADSVLBRIDBOGQI-SFHVURJKSA-N 258.405 4.507 30 10 CJEE C=CCN(CC=C)C(=O)[C@@H](c1ccccc1)C1CCCCC1 1892227227 QTGIKGXAFRMKIR-IBGZPJMESA-N 297.442 4.551 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1C[C@@]12CCCOC2 1896723692 JPSMKKIBXUYDKZ-NVXWUHKLSA-N 266.425 4.513 30 10 CJEE CCCCCCCOCC[C@@H](C)NCc1ccccc1 1915413812 KJLQWHMSSMZCHP-QGZVFWFLSA-N 277.452 4.542 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)c(Br)o1 1917592843 DYSMKPFLTPVUPA-LLVKDONJSA-N 287.197 4.520 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1c(C)csc1C 1920811441 JGVYXRKJQRFDBG-IAGOWNOFSA-N 297.508 4.737 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)[C@H](C)[C@H](C)CC 1921137913 YQGXCIJFRKWBKU-TVFCKZIOSA-N 285.516 4.758 30 10 CJEE C=C([C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC)[Si](C)(C)C 1922967335 DTFURNYIEORDBS-MWDXBVQZSA-N 279.544 4.615 30 10 CJEE CCC(CC)(CS)Cn1ccnc1C1CCCCC1 1923601803 ATNNONJGPFKIMQ-UHFFFAOYSA-N 280.481 4.667 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1cccc(Cl)c1)C1CCCCC1 1924097697 KRXFKCLUGMWULR-MLGOLLRUSA-N 289.806 4.733 30 10 CJEE CC(C)[C@@H](C)N(CCCCCS)Cc1ccccc1 1931998017 GMQQYPNIGCDNMO-MRXNPFEDSA-N 279.493 4.633 30 10 CJEE SCCCCCN(Cc1ccccc1)C1CCCCC1 1932028412 DCSADCYUTSPGCW-UHFFFAOYSA-N 291.504 4.921 30 10 CJEE C=CC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 1955208360 HBMPENWPJKPTRK-CYBMUJFWSA-N 290.407 4.719 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@]1(C)CCCC1(F)F 1956547099 XYGQXCMJGDFLQR-QGZVFWFLSA-N 293.401 4.890 30 10 CJEE C#C[C@@](C)(CC)N[C@H](CC)c1ccc(C(F)(F)F)cc1 1962740530 UWBAPDVVWBNTAI-CABCVRRESA-N 283.337 4.548 30 10 CJEE CCCCCCCCn1cc(-c2ccccc2)cn1 1963222908 OTYZUVFTXCBSQN-UHFFFAOYSA-N 256.393 4.911 30 10 CJEE C=CC1(COc2cc(Cl)ccc2Cl)CCC1 1980021775 IODLULWQUZXEPS-UHFFFAOYSA-N 257.160 4.729 30 10 CJEE CCCC[C@](C)(C=O)C[C@H](CC)CC(F)(F)F 2000498557 AIVLTZTXUAQNHP-RYUDHWBXSA-N 252.320 4.751 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccc(Cl)cc1F 2000516984 ZYVIINUQVKYZOA-AWEZNQCLSA-N 253.748 4.742 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(C)sc1C 2009480786 BOCGUVDSEMZFEG-OAHLLOKOSA-N 251.439 4.762 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1CCCOCC1 2028790838 JIBVIKUPZPJFHK-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cncs2)C1 2031780750 CHSVQBGRTDVQRH-UTUOFQBUSA-N 280.462 4.590 30 10 CJEE CC1(C)CCC[C@@]1(C#N)CC[C@@H]1CCCC1(F)F 2032104496 PXJDOYZPCCRRDA-JSGCOSHPSA-N 255.352 4.922 30 10 CJEE C[C@H](C[C@]1(C=O)CCCC(C)(C)CC1)C1CCC1 2039384122 JWPDHFXQVLXQNA-PBHICJAKSA-N 250.426 4.988 30 10 CJEE C=CCC[C@H](C)[C@@H](CC1CCCCCC1)NCC 2040528597 FAXSHQIQNFMPEJ-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C[C@@H](CC(=O)C1=CCC(F)(F)CC1)CC(C)(C)C 2045232277 GAINDWISNDMSKG-NSHDSACASA-N 258.352 4.764 30 10 CJEE CCCCCCCC[C@@H](CC1(CF)CCC1)NC 2046895611 JRAHBIPYOKGYIB-HNNXBMFYSA-N 257.437 4.855 30 10 CJEE CCCCCCC[C@@H](O)C[C@]1(C)CCCC1(F)F 2048955163 CDZUFTMOYDQQKP-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C=CC[C@@H](C)[C@@]1(CNCCC)CCCC(C)(C)C1 2049510734 GKPWVCHDFSRNRV-WBVHZDCISA-N 251.458 4.785 30 10 CJEE C=CCCC[C@H](C[C@@H]1CCCCC1(F)F)NCC 2052910586 QUVGEYXQIRWGCK-UONOGXRCSA-N 259.384 4.536 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269.498 4.631 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(F)cc1Cl 2313544329 FRBGKXLDRUWMCK-NSHDSACASA-N 267.775 4.651 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCC[C@H](CC(C)C)C1 2316710776 ZCVPFANGBGPZCH-WBVHZDCISA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(Cl)c(C)c1 2316738279 GLWUVVRMCDVWHJ-INIZCTEOSA-N 263.812 4.677 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1sc(C)cc1C 2316746558 IOTITZKKRHETBE-OAHLLOKOSA-N 263.450 4.784 30 10 CJEE C=CC[C@H](C)[C@H](CCCCC(C)(F)F)NCCC 2321127443 JVXAZJFUVFZOLG-KBPBESRZSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H](CC)CC(F)(F)F 2321222348 HQBGSVUPMAYERU-AVGNSLFASA-N 266.347 4.708 30 10 CJEE CC[C@H]1CCCCCN1C[C@](C)(CS)C(C)(C)C 2327096233 LDIXGQUCEXYSIH-GOEBONIOSA-N 271.514 4.623 30 10 CJEE CCC[C@@H]1CCCCN1C[C@](C)(CS)C(C)(C)C 2327096998 QAYMPEGGRYHSMY-GDBMZVCRSA-N 271.514 4.623 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCCC 2330811858 PZVYIDANDTXXNJ-PNKHAZJDSA-N 263.469 4.783 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(F)F 2333328727 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2351992040 SKSLFGGACBVHHJ-INIZCTEOSA-N 284.465 4.910 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2c(F)cccc2F)C1 2352179002 PCURRJLAMYPTAN-UHFFFAOYSA-N 263.331 4.572 30 10 CJEE CCc1ccccc1Nc1ccc(C#N)c(SC)c1 2353835987 PFSCBDOHYOYHQE-UHFFFAOYSA-N 268.385 4.586 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CCC2)CC1 2357670950 NABGSUJSCMGDTP-IPMKNSEASA-N 275.480 4.927 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@H]1CN[C@H](C)CC 2358903594 VPYPAZVSTRWOJI-OWSLCNJRSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1CC 2360047927 AQNUVBBVMAYKMF-KZNAEPCWSA-N 281.484 4.683 30 10 CJEE C=CCC(CC=C)Sc1ccncc1CNC(C)(C)C 2360381163 JHYBTHAGXHSSJE-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c(C#N)c1 3611752 GJLPRDINGRNTBU-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE N#Cc1sc(-c2ccsc2)c(-c2cccs2)c1N 52902326 LNBNHKQVBVLROB-UHFFFAOYSA-N 288.422 4.659 30 10 CJEE CCCCCCCOC[C@@H](N)c1cccc2ccccc12 59083380 VAAZRCCNJGLSHI-LJQANCHMSA-N 285.431 4.827 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N 59083467 GYQXIPBAPRPKLS-IXDOHACOSA-N 283.500 4.906 30 10 CJEE N#C[C@H]1CCCC[C@H]1c1cc(Cl)ccc1Cl 62625225 ABHUMPJMDKRBHG-MWLCHTKSSA-N 254.160 4.791 30 10 CJEE Cc1ccc(Cn2c(Cl)c(C#N)c3cccc(C)c32)cc1 71465296 YGWQLTXWJWRTHU-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE O=CCCCCCCCCOc1ccc(Cl)cc1 80230947 RYIDJWFJGRGUTI-UHFFFAOYSA-N 268.784 4.648 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(Cl)cc2)CC1 91880846 HOTJONSJKVWGSM-BLDCVEFLSA-N 291.822 4.874 30 10 CJEE CCN(CCCCCS)c1cccc2ccccc12 94578495 HPIDRTZSUNORDN-UHFFFAOYSA-N 273.445 4.766 30 10 CJEE CC(C)[C@H](CS)COc1ccccc1-c1ccccc1 94583427 LTUWZNAVTOFLFK-INIZCTEOSA-N 286.440 4.934 30 10 CJEE CCCCCCCCCONC(=O)Nc1ccccc1C 101034918 QEBSKRWHQKJKGZ-UHFFFAOYSA-N 292.423 4.799 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(Cl)c(C)cc1OCC 107621363 OHTACAWTBLPFIF-AAEUAGOBSA-N 264.796 4.810 30 10 CJEE C#CC[C@@H](C)c1cc(Cl)cc(Cl)c1OCC 107655922 CTDHZWNUAUQKOA-SECBINFHSA-N 257.160 4.519 30 10 CJEE N#Cc1cc(N[C@H]2CCCCc3ccccc32)ccc1F 109947679 WUWFXXOMACNCNR-SFHVURJKSA-N 280.346 4.577 30 10 CJEE CN(CC1CCCCC1)c1ccc(C#N)c(C(F)(F)F)c1 110255225 LNFMGQMCMVKXRN-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCCCCC[C@H](O)Cc1cccc(Cl)c1 111817237 OIRLVUNICYELRZ-HNNXBMFYSA-N 254.801 4.604 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CCCc2ccccc21 112888432 RAWRSINLLVQUND-MSOLQXFVSA-N 260.421 4.828 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](C(=N)N)C1 112904319 JVQMZCJKKPPWHZ-KRWDZBQOSA-N 295.515 4.555 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@@]1(C)CC 114056345 CLDPMSLOIVNDTN-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@H]1C(C)(C)C 115233176 QFYNCNHXPLACMR-DLBZAZTESA-N 296.543 4.691 30 10 CJEE CCCCCCCCC[C@H](O)C(CC)(CC)N(C)C 118168089 AHRQOYMIWFUSPE-INIZCTEOSA-N 271.489 4.608 30 10 CJEE CCCCCCCCn1ccc([C@H](NCC)C2CC2)c1 118248956 UYBRSMZVUPQVFY-GOSISDBHSA-N 276.468 4.909 30 10 CJEE CCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1NCCC 122990702 FHWJCVXZCWMHNN-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CC(C)(C#N)c1ccc(NCCC2CCCCC2)cc1 127276344 HLNVHPMQWWBHPM-UHFFFAOYSA-N 270.420 4.870 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cccc3ccccc23)c1 127730654 HWXPHXYNPRCPBM-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H](OC)C1CC1 129529486 MOFXXOYHEOXUGL-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](CCC)OCC 130859506 VTSIJKHYQOAOLM-IAGOWNOFSA-N 286.504 4.554 30 10 CJEE CCCCCCCCCCCCC(=O)c1ccnnc1 135649362 GPBZGDQEUIVGNA-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE CCSc1cccc(NCc2ccccc2C)c1C#N 136629988 CNRCYWGUUVDZID-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE CSc1cccc(Sc2nc3ccccc3o2)c1C#N 136990443 KSNFIAYTRIKRKS-UHFFFAOYSA-N 298.392 4.573 30 10 CJEE CCCCCCCCC[C@H](Nc1ccccc1)C(=O)O 139876231 LEJBFVDCUQQCGQ-INIZCTEOSA-N 277.408 4.692 30 10 CJEE CCCCCCCOc1ccc(CNC(C)(C)C)c(C)n1 148164394 AUQMEXWNOJUELK-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE CCCCCCCCNc1cc(C)ccc1[N+](=O)[O-] 159387748 VHQKREZIKBALQR-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE C=CCN(c1cc(C)c(F)cc1[C@H](C)NCCC)C(C)C 162262138 FJXATWRDTVHVJZ-HNNXBMFYSA-N 292.442 4.596 30 10 CJEE C=C(C)CC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C 164950617 LZBYTTXXFOLDAF-CVEARBPZSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCOc1c(C)cccc1CCN 166048863 ODJAQXAWCCMTPR-UHFFFAOYSA-N 277.452 4.626 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(F)c(C(F)(F)F)c1 167721052 GQHHDWPYGYXMBP-CQSZACIVSA-N 289.316 4.851 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1c1ccccc1 185218915 FTZRSGDHVDTCOX-WMZOPIPTSA-N 285.431 4.733 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C 218178383 JZCBNBNNLOGBTQ-OWQGQXMQSA-N 270.420 4.739 30 10 CJEE CCCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222219428 TUTUKHMAAMOODQ-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CC[C@H](O)C1 227692600 AAAOFVAQJXCYSR-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@H](N)CCC[C@H]1CCCO1 229498602 INIMGVMLQSGWDJ-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1nccn1CC 229806561 QLCXAKUMUVSPAN-KRWDZBQOSA-N 293.499 4.694 30 10 CJEE CCCCCCCCC[C@@H](O)CCC(C)(C)OC 230991233 LLSQEAZFLUCTHS-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE C=CCOc1ccccc1CNc1cc(C)ccc1Cl 232230479 ROFSDGAHLPLGDX-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE CC(C)[C@H](CS)CSCc1ccccc1Cl 232710832 UTPMGKPPYIZXGL-GFCCVEGCSA-N 274.882 4.775 30 10 CJEE CCCCCCCCCC[C@@](C)(O)c1cccnc1 232957549 OXMOAHDJDQJDPD-QGZVFWFLSA-N 263.425 4.820 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)c(F)c2)C1 233950783 GNGJMRNWYZYMGH-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(F)c(Cl)c1 234439471 QCIJSBQAOFZNDZ-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCCCCCCO[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1NCC 250839094 WTJHSWRHVAPXDM-BRSBDYLESA-N 283.500 4.776 30 10 CJEE CCC1CCC(Oc2cc(C)ccc2C(C)=NO)CC1 252473912 XWNXFDAOTPQHGE-UHFFFAOYSA-N 275.392 4.541 30 10 CJEE C=CCSc1ccc(C(=O)CC)c(OCCCC)c1 261004304 HPIUMCNKGLMKHZ-UHFFFAOYSA-N 278.417 4.736 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2ccc(Cl)cc2Cl)O1 310385305 JYAPORRNMJMGCO-STQMWFEESA-N 270.159 4.517 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@H]2CC[C@H]1O2 318117568 QJHMGFJKTZQRSR-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](CN)N1C[C@H](C)CC1(C)C 380450432 WURYQUOGBQIPRP-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)[C@H]1NCCC 380479701 UDSNYODCDDJLQO-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCOCc1cccc(C(=O)O)c1Cl 382126733 MFFRWTPULIEXIS-UHFFFAOYSA-N 298.810 4.915 30 10 CJEE C[C@H](S)CCC(=O)N(C1CCCCC1)C1CCCCC1 386071427 ZGEUCFDGPCXUOA-AWEZNQCLSA-N 297.508 4.579 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)cc(F)c1F 388991134 SNMYFVNPTXAVGN-CQSZACIVSA-N 273.342 4.854 30 10 CJEE Cc1cc(Cl)c(NC[C@@H](C#N)C2CCC2)cc1Cl 397346525 JDIALKKVKVCGAK-LLVKDONJSA-N 283.202 4.654 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CCC[C@H]1N 405612974 SUQLMHLRILZMCS-DOTOQJQBSA-N 267.457 4.604 30 10 CJEE CC(C)(C)N1C[C@H](c2ccccc2C#N)Cc2ccccc21 616673443 STTSTERSFMZRMB-QGZVFWFLSA-N 290.410 4.503 30 10 CJEE C[C@@H](CC1CCCCC1)/N=C1/NC2(CCCC2)CCS1 687319166 YEZBEUSRJDPOBW-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CC(C)C1([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)CC1 687554237 VKACKIHCZORUML-CKDBGZEDSA-N 277.452 4.530 30 10 CJEE CSC(C)(C)C[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688278698 CUXBVFWVQQGDJD-ZDUSSCGKSA-N 297.508 4.625 30 10 CJEE CCc1cc(C)cc(CC)c1Nc1snc(C)c1C#N 690219247 UVJVYGKNXYJBFN-UHFFFAOYSA-N 285.416 4.500 30 10 CJEE O=C(C1=CCCCCC1)c1cc(Cl)cc(F)c1F 692086742 SAZWEFLZSWSLEX-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE N#Cc1c(Cl)cccc1NC[C@@H]1CCCC2(CC2)C1 695757624 QYLRWVFARALHTL-GFCCVEGCSA-N 274.795 4.594 30 10 CJEE CCCCCCCCCOCC[C@@H]1NCCC[C@H]1C 697226222 WCSNCSNGXUQAOU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)C1CNC1 702832690 BSGVCSDIKJCZCJ-AEFFLSMTSA-N 283.500 4.514 30 10 CJEE CC1(C)CC(=O)C=C(c2csc(C(F)(F)F)c2)C1 703186952 PXDJTINNBMYCRL-UHFFFAOYSA-N 274.307 4.539 30 10 CJEE CCCCCCCn1c(=S)[nH]c2cc(F)c(OC)cc21 703732984 HMCHSVDOSCKHSI-UHFFFAOYSA-N 296.411 4.817 30 10 CJEE C=CCCC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl 703945286 SZLUOFYREBHQBW-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1csc(C)c1C 710669816 QTAVPUMIFIAJKF-ZDUSSCGKSA-N 257.830 4.548 30 10 CJEE C=CC[C@@H](C)Oc1ccc2cc(Br)ccc2c1 715759318 PITYHUIJUDESHA-LLVKDONJSA-N 291.188 4.946 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(Cl)c1F 715799803 PUMIWNIPJZZMKP-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1NCc1ccc(C#N)cc1Cl 717553178 HFOCVRMDAFHOJM-BLLLJJGKSA-N 290.838 4.516 30 10 CJEE FC(F)(F)Oc1cccc(C#Cc2ccccc2Cl)c1 725408696 VBWXXNOFZFMFKB-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE Cc1cc(C(=O)/C=C\c2coc3ccccc23)oc1C 799895725 CXQQPCSSYNBYGC-FPLPWBNLSA-N 266.296 4.539 30 10 CJEE C=CCC[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 1124431347 RUJUPBIRVHVWPD-IBGZPJMESA-N 293.410 4.992 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1126324703 CISGGZQNAZIWSM-RCCFBDPRSA-N 291.479 4.798 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1CCC[C@H](C)C1 1190699712 NAYTVFSASMINBW-PKOBYXMFSA-N 271.448 4.543 30 10 CJEE C=CC(C)(C)CCCNCc1cc(C)c(C)cc1C 1203571355 FZASJQNXHKPGFS-UHFFFAOYSA-N 259.437 4.694 30 10 CJEE C#CCCOC(=O)Oc1ccc(C(C)(C)CC)cc1Cl 1210710480 OHNXBUUKTWSAOR-UHFFFAOYSA-N 294.778 4.566 30 10 CJEE C#C[C@@H](C)NC(=O)Nc1cccc([C@@H]2CCCC(C)(C)C2)c1 1311306508 KWJRFBJDPRJGKE-GDBMZVCRSA-N 298.430 4.514 30 10 CJEE C=CC(C)(C)C(=O)Oc1ccc2oc3ccccc3c2c1 1354687209 DBPQFXOKSLAFMM-UHFFFAOYSA-N 280.323 4.704 30 10 CJEE C#CC[C@H](NCc1ccccc1C(C)C)c1ccccc1 1459850078 MZZDSZUJFFWPNV-FQEVSTJZSA-N 277.411 4.664 30 10 CJEE C=C[C@H](OC(=O)[C@H](CC)c1ccc(F)cc1)c1ccccc1 1461545494 AEGYZVZLBYQTDI-MSOLQXFVSA-N 298.357 4.790 30 10 CJEE C=C(C)[C@@H](N[C@H]1CC=C(C)CC1)c1ccc(F)c(F)c1 1462118172 ZVNSJZLCEQZQEW-WMLDXEAASA-N 277.358 4.670 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C(F)F)o2)c1 1463260019 ZNTHBLNNGFLKBW-UHFFFAOYSA-N 277.270 4.503 30 10 CJEE C=CCCCN[C@H](CC)Cc1ccc(C(F)(F)F)cc1 1474492620 VWAYTWUZBHOVIB-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC[C@H]2CC)c1 1477187587 MKGYCZAQUKEJLZ-MRXNPFEDSA-N 272.392 4.516 30 10 CJEE C=CCCCCCCNC(=O)C=C1CCC(C)(C)CC1 1520904259 HXWRBHWCBWHFRG-UHFFFAOYSA-N 277.452 4.766 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 1524808392 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295.492 4.616 30 10 CJEE C=CC[C@@H](C)[C@](CC)(CC1CCCCC1)OCCCN 2293752068 WWAYSDMZERJGHZ-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)c1ccccc1 2294276635 XXTHOQPEYKOOAZ-GOSISDBHSA-N 277.452 4.628 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H]1CC=CCC1 2294462699 ZQDCQMBPAIPWGI-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@](C)(C[C@H](C)C(F)F)OCCN 2294591590 LDZMLLVEWCIQOH-HOCLYGCPSA-N 293.442 4.762 30 10 CJEE CN(CCCCCCCS)C1[C@H]2CC[C@H]3C[C@H]2CC[C@@H]13 2294772193 BMFOTWPXNSMEOV-FVGDGBDSSA-N 295.536 4.623 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@H]([C@@H](C)N)C1 2295537362 YRDPLCZTWDRXOZ-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCCCCSCCC[C@@](C#N)(NCCC)C(C)C 2295761545 OOGFAHNDDKIGMW-KRWDZBQOSA-N 298.540 4.998 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NC)cc1Cl 2298933691 STLNTWPMBFZULT-WDEREUQCSA-N 269.841 4.677 30 10 CJEE C=C(Cl)CON[C@@H](CC)c1ccc(Cl)cc1Cl 2299020967 LZRXDCQDSHXLHU-LBPRGKRZSA-N 294.609 4.718 30 10 CJEE CC(=CCOCC(C)(C)CS)CCCC(C)C 2300914782 UUOVJXVAOVTITD-UHFFFAOYSA-N 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CJEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922301 JKAAEEBOBUQLMP-AWEZNQCLSA-N 264.372 4.661 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCCc2ccccc21 36954385 YNPTUOBNMCYOHB-INIZCTEOSA-N 282.774 4.701 30 10 CJEE C[C@@H](Nc1cccc(Cl)c1C#N)c1ccccc1F 48936306 CGXFTGJFUGBYNR-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE Cc1ccc(C)c(OCC[C@H](C#N)c2ccccc2F)c1C 57686661 HIOXTHPABHXIET-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE CCc1cc(C[C@@H](C#N)c2cc(C)ccc2C)ccc1OC 57762507 RGHBPEJHEQADJL-SFHVURJKSA-N 293.410 4.724 30 10 CJEE Cc1ccc(C)c(/N=C/c2ccc(Br)s2)c1 59457165 OHXVJBRQROWDRK-OVCLIPMQSA-N 294.217 4.878 30 10 CJEE Cc1ccc(C[C@H](C)Nc2cc(Cl)ccc2C#N)s1 80245116 KUBUMDBRNIWZOC-JTQLQIEISA-N 290.819 4.625 30 10 CJEE Cc1ccc(C(C)C)c(OCc2nc(CS)cs2)c1 82686210 BJMOHKIJHUWTRZ-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE C[C@H]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 85017953 OYVAGOVETOHFQT-COPLHBTASA-N 297.320 4.781 30 10 CJEE Cc1ccc2c(c1)C[C@H](CC1(C#N)CCCCCC1)O2 90902687 MHGRNCGCBLRBKF-MRXNPFEDSA-N 269.388 4.553 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2sccc2C)CC1 91881901 HBOBMXXZZWGXEV-SIWZUTFBSA-N 277.433 4.590 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ncc(Cl)cc1Cl 94201376 XSEANAYWUSEQNU-ZDUSSCGKSA-N 287.234 4.785 30 10 CJEE CCCCCCCn1c([C@@H](C)O)nc2cc(C)c(C)cc21 102247519 MJSUBJYMPFLZKN-OAHLLOKOSA-N 288.435 4.677 30 10 CJEE COc1ccc(/C=C\C(=O)/C=C/c2ccc(Cl)cc2)cc1 103044213 NURTVDZVDIFXDI-CYQDLDFOSA-N 298.769 4.644 30 10 CJEE CCCCCCC[C@H](N)[C@H]1CCCc2ccccc21 104153969 WVWNMDXHNWLWES-ROUUACIJSA-N 259.437 4.794 30 10 CJEE CCCCCCCOCc1ccoc1CNC(C)(C)C 107345231 ZDTUNSZRSPCWNK-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(OC)c(OC)cc1Cl 107677470 HOHLWBLGOUQHIP-VXGBXAGGSA-N 280.795 4.510 30 10 CJEE CCCCCCCO[C@H](CNCC)c1ccccc1C 110067788 NSWYGRAESGSQLE-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCN(CC)c1ccc(Nc2ccc(C#N)cc2Cl)cc1 110259208 DATPULDMMWLQHW-UHFFFAOYSA-N 299.805 4.801 30 10 CJEE CCc1ccc(Oc2ccnc(C#N)c2)c(C(C)(C)C)c1 110260031 SGSFGFGSYNLXBB-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE 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C[C@@H]1CCC[C@](C=O)(C[C@@H](C)C2CCCCC2)C1 316615154 KEEMJMODLBBIDV-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CC=CCC1 317231797 MQCICKDFNBGHNF-SFHVURJKSA-N 281.484 4.700 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CCc2ccccc21 318206175 FARCFCYKFFDOMT-IBGZPJMESA-N 271.448 4.615 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(Cl)c1F 379915295 ZOVFTLPZHKOYBH-OAHLLOKOSA-N 295.829 4.959 30 10 CJEE CCC1CCC(C#N)([C@@H](O)C2CCC(C)(C)CC2)CC1 380770405 ZUGQRFDYKYBFHK-HQVVEAJESA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2nc3ccccc3s2)C1 382141669 CUQFPJOOJKOYSZ-MLGOLLRUSA-N 270.401 4.658 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(C)ns1 385702678 GEZOWIYYTHUYOH-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE C=CCCCCCCn1c(S)nc2cccc(C)c21 389050357 PNVARLATRMQXNX-UHFFFAOYSA-N 274.433 4.770 30 10 CJEE C=CCCCCC[C@H](NCCC)C(C)(C)SC 392916036 HRRPURDHAWIRTH-AWEZNQCLSA-N 257.487 4.633 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCC12CCCC2 394207899 DNBNVHBAVKIEBA-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE CCCCCCCC(=O)c1c(F)c(F)cc(F)c1F 395845972 KJELYUXZZPOYTK-UHFFFAOYSA-N 276.273 4.786 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](C)CC(F)(F)F 397019257 QURGJFLPJHWRFH-CHWSQXEVSA-N 267.379 4.914 30 10 CJEE C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1F 512293566 FYHATXBTIMJRPO-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1cc(C(F)F)cc(C(F)(F)F)c1OC(F)F 575665689 TWIOGMFLDDJIAE-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCC(F)(F)C(C)(C)CNc1cc(Cl)ccc1C#N 691047022 JVUPKFPVTXSDRW-UHFFFAOYSA-N 286.753 4.695 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2ccc(F)cc21 692192683 YTINDHOYTPKGIQ-SMDDNHRTSA-N 290.407 4.772 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CC(C)(C)C)NC 695960324 UUGSWRHMTPDBHD-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](N)CCC 696468028 MUNQDSAQWREDSS-DLBZAZTESA-N 271.489 4.786 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC[C@@H](C)c2ccccc21 701866847 FDGSMDBXPOMQJJ-RHSMWYFYSA-N 257.421 4.817 30 10 CJEE Cc1c(Cl)cccc1OCC1(CS)CCCC1 702652760 DWWDZPFFUVEFCH-UHFFFAOYSA-N 270.825 4.517 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CCC(C)C)C1CC1 709341611 DXWLOJXOOCJKIJ-NXHRZFHOSA-N 263.469 4.926 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 710606761 HIFCKDSTVZVFOY-OSAQELSMSA-N 257.849 4.570 30 10 CJEE CC(C)CC[C@H](C)/N=C1/NC2(CCCCCC2)CS1 713183573 YIXIDJOSKBESCU-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(SC)cc1 715795232 CCUMXOGHSKFUBH-XJKSGUPXSA-N 263.450 4.661 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC[C@H]1CC(C)C 716318598 ODABLQKSDWOUND-QZTJIDSGSA-N 284.484 4.941 30 10 CJEE N#Cc1cc(NCCCCC2CC2)ccc1C(F)(F)F 716357192 FKTDMOVPKPASKO-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CC1(C)CCCCC[C@@H]1N[C@@H](CC#N)c1ccccc1 718964813 FZLRZFJJHZHSQQ-IRXDYDNUSA-N 270.420 4.590 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC12CC2)NCCC 723183090 PFEXNRXHMJWCGR-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=C1CCC(C[C@H](O)C[C@@H](CC)C(C)(C)C)CC1 724571082 LJBKHUGGJVSLHV-CVEARBPZSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccc(Cl)cc2)NCC)CC1 724575691 PPBAIRCGJWICSO-SFHVURJKSA-N 291.866 4.997 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H](C)CC(C)C)CC1 724618988 RAYDUXCKANJFSV-RDJZCZTQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C(=O)OCCCc1ccccc1)c1ccccc1 1124181418 VMIWSLAPQAVHSP-IBGZPJMESA-N 294.394 4.522 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)cc2Cl)CCCC1 1124361881 FPKFVIRETADWSA-UHFFFAOYSA-N 281.758 4.554 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)[C@@H]2CCC(C)=C(C)C2)cc1 1205751611 AQMDAHLLBDVUAR-PKOBYXMFSA-N 299.458 4.866 30 10 CJEE C=CCC1(CNC(=O)C2(CC)CCCCC2)CCCC1 1272416763 GXGQYQRADNLRLN-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cnn(CCC(C)C)c2CC)C1 1308686240 ODBLYWYTFYDVJK-HZPDHXFCSA-N 289.467 4.648 30 10 CJEE C=CCC[C@H](CCC)NC[C@H]1CCCN1C1CCCCC1 1308723963 PSFHFCZFVRQRKH-PKOBYXMFSA-N 292.511 4.508 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1360369820 WUZKAAYDXGPXSS-LZLYRXPVSA-N 291.479 4.654 30 10 CJEE C=C(CC(C)C)C(=O)Nc1c(C)cc(C(F)(F)F)cc1C 1455529148 QAOGCUVUGRIGCZ-UHFFFAOYSA-N 299.336 4.863 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CCCC(C)(C)C1 1461960892 PQLOEQUDMMSXRZ-MRXNPFEDSA-N 251.458 4.881 30 10 CJEE C=CCCC1(CN[C@H](COC)CC(C)(C)C)CCCC1 1462432098 XHNHGPMGBOEQIN-INIZCTEOSA-N 281.484 4.554 30 10 CJEE C=CCC[C@@H](NCCCC1CCC1)c1ccccc1 1473326636 HQSFCTFHLOKYJG-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(CCCCC)cc1 1521077439 LCNZODNFTAFCOC-UHFFFAOYSA-N 273.420 4.960 30 10 CJEE CC[C@@H](C(=O)Nc1cccc(C#N)c1C)C1CCC(C)CC1 1525480285 BZIINTOAOMDQEZ-PUJMQQBBSA-N 298.430 4.658 30 10 CJEE C=CCC(CC=C)C(=O)OCc1cc(Cl)ccc1Cl 1528645156 JZXDYUAYSHLBDG-UHFFFAOYSA-N 299.197 4.805 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)CCC 1530534067 UGQMGJQPLDQMOE-UHFFFAOYSA-N 299.867 4.742 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)c1ccc(CCCC)cc1 1532451620 XEZILEAKZDFQLY-HNNXBMFYSA-N 273.420 4.594 30 10 CJEE C=C[C@@H](CC(=O)NCC(C)(C)C(C)(C)C)c1ccccc1 1534184058 WJNKBKMHCHNEEK-HNNXBMFYSA-N 287.447 4.535 30 10 CJEE C=CCCC1(CNCc2ccc(C)c(OC)c2)CCCC1 1560531865 PKOGLNCNAGMQNS-UHFFFAOYSA-N 287.447 4.620 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C(\C)CCC)c1ccccc1 1583036114 BYWHJQOJADCQMQ-IAOULYHDSA-N 271.404 4.557 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C(\C)CC)c1ccccc1 1596613133 OYVATVPLRNUVAZ-ZWKQNVPVSA-N 271.404 4.557 30 10 CJEE C=CCCCN(CC)CCc1cccc(Cl)c1Cl 1620646797 QNSVQRBIHJFHKX-UHFFFAOYSA-N 286.246 4.824 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)CCc1ccccc1 1621004126 KAZPUYCIZGPDTL-DFQSSKMNSA-N 285.475 4.980 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](C)c1cc(F)ccc1N(C)C 1621574317 JTZDQNJIBXKDFN-GOEBONIOSA-N 292.442 4.677 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 1632373334 GUVHMBNYCQEVFA-IRXDYDNUSA-N 279.468 4.654 30 10 CJEE C=CCCCCCN[C@]1(C)CCCc2ccccc21 1645017878 GPLCKRRLVGBOSO-GOSISDBHSA-N 257.421 4.574 30 10 CJEE CCCCCCCN1CCc2ccccc2[C@@H](C)C1 1646812269 AAVSTZWOGBMILZ-INIZCTEOSA-N 259.437 4.619 30 10 CJEE C=CCCCCCCNc1ncc(C#N)c2ccsc12 1651830364 VVZPPJMTOUWVSA-UHFFFAOYSA-N 285.416 4.716 30 10 CJEE C=CCCCCCN1CCC[C@]1(C)c1ccccc1 1654647296 ANJRAVNNWXMYDM-GOSISDBHSA-N 257.421 4.744 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1c(C)cccc1Cl 1654999089 PFVXZFJKXXUMOF-CQSZACIVSA-N 263.812 4.579 30 10 CJEE C=C(CC)CSc1nccn1-c1cc(C)ccc1C 1656119948 UTNLHQGXEMREGA-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CCCC1(CNC[C@@H]2CCc3ccccc3C2)CCCC1 1658542592 XNCGOFJBUMWQSM-GOSISDBHSA-N 297.486 4.908 30 10 CJEE C=CCCCCCCCN[C@@H]1CS[C@@H](C(C)C)C1 1659384799 FYJSPRDKJKXMOB-JKSUJKDBSA-N 269.498 4.633 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 1659665126 YWWOVFHOWVRRDX-YESZJQIVSA-N 293.495 4.837 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)[C@H](OC)c2ccccc2)c1 1660854471 DIQIEHFGVAVGBG-KXBFYZLASA-N 281.399 4.908 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(-c3ocnc3C)cc2)C1 1665705436 HSXOMVQMNFIMTF-RHSMWYFYSA-N 282.387 4.807 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 1674974801 BJKNKAQCJDFFFC-YOEHRIQHSA-N 284.403 4.516 30 10 CJEE C=CC1CCN(C(=O)N[C@@H](CCCCC)C(C)(C)C)CC1 1684427988 UERMZPWJXROWJF-INIZCTEOSA-N 294.483 4.589 30 10 CJEE C/C(=N\OCc1ccccc1C)c1ccc(C)c(C)c1 1857935945 KDCFDEJQKKDPME-KNTRCKAVSA-N 267.372 4.553 30 10 CJEE CCc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 1874719272 RWRYOKIFMBUFIP-WEVVVXLNSA-N 286.758 4.504 30 10 CJEE N#Cc1ccc(NCC2(CF)CC3(CCC3)C2)cc1Cl 1875949995 HPLCGLSNNCBPOW-UHFFFAOYSA-N 292.785 4.544 30 10 CJEE C#CCN(CC(C)(C)C)C[C@H]1CC[C@H](CCC)CC1 1877953573 ODAQLQSCOJGIFH-QAQDUYKDSA-N 263.469 4.574 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@H]1CCCC(C)(C)C1 1879652024 YSJUAINKKIPNJS-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=C(CN(Cc1ccccc1)C(C)C)c1ccccc1 1883400344 OFTUUUMDBGQHMS-UHFFFAOYSA-N 265.400 4.610 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2c(F)cccc2Cl)C1 1883459474 KPANCUCEEUYNAZ-CYBMUJFWSA-N 281.802 4.657 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cc(F)cc(Cl)c1 1887451398 DSJFBIVZHKWEIH-LRDDRELGSA-N 281.802 4.569 30 10 CJEE CCCCCCCCCC(=O)C(F)(F)C1(OC)CCC1 1912536362 GYLUXSSXXHKGEC-UHFFFAOYSA-N 290.394 4.901 30 10 CJEE CCCCCCC[C@H](NN)C1CC2(CCCCC2)C1 1912624940 OCTBQVBZRGSJOE-INIZCTEOSA-N 266.473 4.539 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cn(CC)c(C)n1 1913116692 BEQNYQXMOIQCDM-MRXNPFEDSA-N 279.472 4.613 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917553186 CTXYYBSPADHBTM-HSFUPAIVSA-N 263.469 4.761 30 10 CJEE CCCCCC[C@@](C)(O)C1(C#N)CCCCCC1 1921118552 IBKWEGUCASYKEZ-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CCCC12CCC2 1921618125 ZDUFJUCVFAZVBD-GOSISDBHSA-N 263.469 4.929 30 10 CJEE C=C([C@H](NCC)c1cc(F)ccc1Cl)[Si](C)(C)C 1922862503 IXGXCIQSRRENDF-AWEZNQCLSA-N 285.866 4.563 30 10 CJEE C=C([C@H](NC)c1cc2cc(F)ccc2s1)[Si](C)(C)C 1922869709 PWUUYLAYAXCVIU-HNNXBMFYSA-N 293.483 4.735 30 10 CJEE C[C@H]1CC[C@H](C2CCC2)CN1CCCCC(C)(C)C#N 1924162298 RNJCJQGBJQOYFW-RDJZCZTQSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)CC(=O)O 1925369611 FHLMNNIXVBWYCX-INIZCTEOSA-N 285.472 4.702 30 10 CJEE CCCCCCCC[C@H](NCC)c1nccs1 1940347252 ZZUYDCUIZDNPIQ-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CCCOCc1ccccc1 1957119155 OEZZSFPLHSXFIC-LJQANCHMSA-N 288.431 4.769 30 10 CJEE Cc1ccnc(C#N)c1Sc1ccc(C(C)C)cc1 1965499217 GINSSLWJUFOSQI-UHFFFAOYSA-N 268.385 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1C[C@H](C)C[C@@H](C)C1 1966310949 WGKGEUWFKKCMPC-AHCXZYCDSA-N 263.469 4.783 30 10 CJEE C[C@H]1CC[C@H](CSc2ccc(Cl)cc2C#N)C1 1971151800 RAVCDHAEGARNQD-QWRGUYRKSA-N 265.809 4.740 30 10 CJEE Cc1oc2ccccc2c1[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1984462275 MRILSQKKFGHZOS-KGLIPLIRSA-N 298.191 4.691 30 10 CJEE CC[C@@H]1CCC[C@@H](c2nc(CCS)cs2)CC1 1997106772 XNRMIPWYXYNDPA-VXGBXAGGSA-N 269.479 4.689 30 10 CJEE C=CCCCCC[C@H](NC)c1snc(Cl)c1Cl 2002118833 ABLCFYUADOFHEL-VIFPVBQESA-N 293.263 4.847 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2cc(Cl)sc2Cl)CC1 2019151274 OYNZPPYAOYLISZ-VIFPVBQESA-N 289.227 4.913 30 10 CJEE CCCCC#CC[C@@H](O)c1cccc(Cl)c1Cl 2024340624 GEFILBNPUMCXMA-CYBMUJFWSA-N 271.187 4.611 30 10 CJEE CCC1CCC(C#N)(C[C@]2(Cl)CC2(F)F)CC1 2025343514 IPWXZTUWHHJTOG-MCIGGMRASA-N 261.743 4.503 30 10 CJEE CCCCCCCCC[C@@H]1NCC(CC)(CC)O1 2027918692 ZTSDHJMOLDFOPO-OAHLLOKOSA-N 255.446 4.632 30 10 CJEE CC1(C)C[C@@H]1CCOCC1(CS)CCCCCC1 2032428590 ACLKYORAFKSGJL-AWEZNQCLSA-N 270.482 4.710 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCCCC1(F)F 2034916172 XTQWUPCSZBZPTP-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C=C([C@@H](NCC)[C@H]1CC[C@H](CC)CC1)C(C)(C)C 2035417442 HMWGVMXABGZYMU-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](N)c1c(C)coc1CC 2035524711 HUOZCKDNTYRYJI-AWEZNQCLSA-N 251.414 4.901 30 10 CJEE CC1CCC([C@]2(C=O)CCCC(C)(C)CC2)CC1 2039387635 XQJUVKBYKCXLAT-VMBOVVBDSA-N 250.426 4.988 30 10 CJEE C=CCC[C@H](C)Sc1cccc([C@H](C)NCC)c1 2040531810 AIEQHJKSMIMGFA-KBPBESRZSA-N 263.450 4.804 30 10 CJEE C[C@@H]1C[C@](C#N)(CC[C@H]2CCCC2(F)F)CCS1 2041716398 MZFVLMCAZQOBLT-UPJWGTAASA-N 273.392 4.627 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)CCS[C@H](C)C1 2041733605 SGCAVMCHSZURED-UKRRQHHQSA-N 272.454 4.724 30 10 CJEE O=C1C(=Cc2csc3ccccc23)Cc2ccccc21 2042454087 VFIMLDYTDXVMJB-UHFFFAOYSA-N 276.360 4.724 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1[C@H]2CCCC[C@H]21 2048373560 FFKHJNCLXHNGBH-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=C([C@H](NC)C1(C)CCCCCCC1)[Si](C)(C)C 2052501122 RRVVWSAXOKFTJM-HNNXBMFYSA-N 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286.284 4.750 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](O)c1ccsc1 2231930380 VPTUQFRCZZTEOG-GOEBONIOSA-N 283.481 4.510 30 10 CJEE FC1(F)[C@H]2CCC[C@H]1CC(CC[C@@H]1CCC[C@@H]3O[C@H]13)C2 2233689503 HYJZTKFGVHRWBH-UVPYHEFZSA-N 284.390 4.796 30 10 CJEE O=CC1(CC2C[C@H]3CCC[C@H](C2)C3)C[C@@H]2CC[C@H](C1)S2 2233721669 YWBBKRAPDNWFNA-KSTANIPCSA-N 292.488 4.836 30 10 CJEE CCCC#C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)o1 2233784171 ZSLDOCCQDKCKEK-HNNXBMFYSA-N 287.790 4.664 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H](C)[C@H](NC)C1 2234042311 MTKUMTKYTFHMKM-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCOC[C@@H](NCC)C(C)(C)C 2234044593 LREPEZFMLCKIAT-QGZVFWFLSA-N 283.500 4.944 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(C(C)(F)F)c1 2234906231 FWBOAAROABFVHJ-JSGCOSHPSA-N 280.362 4.740 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1CCOC1(C)C 2235527567 WOJNSSRMCQCCOF-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](NCC)C1(COC)CCC1 2235540779 APAQPQQLXZJXJI-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCC)c1cc(C)sc1C 2236588134 DQEULXUAXYFJAB-IRXDYDNUSA-N 297.508 4.737 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2236707868 WZJBNEXNCDBXIR-MHORFTMASA-N 295.536 4.880 30 10 CJEE CN(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CC1(CS)CCC1 2238903861 QGPINABXNIRECV-BRWVUGGUSA-N 295.536 4.625 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](O)C12CCCCC2 2239455393 WELVYAWHGKFHIQ-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCOc1cccc(OCC)c1N 2239455574 YZPNFRPKPWPHRT-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCCCCCO[C@H](C(=N)NO)C(C)C 2239487013 LZOAHEVEYPVZSW-HNNXBMFYSA-N 286.460 4.514 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCCCC(C)(C)[C@@H]1NC 2239502852 OYFRVDYFGIMNOE-BRWVUGGUSA-N 281.484 4.695 30 10 CJEE C[C@@H]1CC[C@@](C)([C@@H](O)C#Cc2cccc(Cl)c2)C1(C)C 2239561391 CWWVBQIHCQKNLY-SKDZVZGDSA-N 290.834 4.515 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cccc(CC)n1 2240642673 PGNTWNSUCWALKT-MRXNPFEDSA-N 276.468 4.873 30 10 CJEE N#Cc1ccc(Cl)cc1OCc1coc2ccccc12 2241179926 KOBPZUHPYXHNRC-UHFFFAOYSA-N 283.714 4.537 30 10 CJEE C=CCCSc1sc(CN[C@@H](C)CC)cc1C 2250019741 WORAPUMGXUTOEV-LBPRGKRZSA-N 269.479 4.613 30 10 CJEE FC1(F)CCCC[C@H]1CSC[C@H](CS)C1CCC1 2256115168 WXMMQHVZEFORJT-STQMWFEESA-N 294.476 4.891 30 10 CJEE CCCC[C@@H](CC)[C@@H](O)CC=CC#CC(C)(C)C 2256730754 IPQRJMXGZFNCHK-CVEARBPZSA-N 250.426 4.560 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCCCC1(C)C 2259199451 RQUBSIHGZOUWLF-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C=O)CCCSC2)C1 2261132752 PLRFKONIFRKIBB-ZBCRRDGASA-N 268.466 4.551 30 10 CJEE CC#CCCC[C@H](C[C@H]1CCCCC12CC2)NCC 2264852593 OCFAZCGQYXRURD-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)cc(Cl)c1 2268752819 OXXHYBABINSLOW-HNNXBMFYSA-N 296.241 4.989 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](CC=CC#CC(C)(C)C)NC 2268821265 CFGPQQGQVHBETM-DLBZAZTESA-N 263.469 4.643 30 10 CJEE CCCCC#CC[C@@H](NCC)c1csc(Cl)c1OC 2268928481 MTGHPOMBAMZXJD-CYBMUJFWSA-N 299.867 4.644 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CCC[C@]2(C1)CC2(F)F 2271835624 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CCCCCCCC[C@H](OCCC(=O)O)[C@@]1(C)C[C@@H]1C 2290633497 WXVOJTZYWBNBPB-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@](C)(CCCC(F)F)OCC(=O)O 2291254768 PSIRMRFPUNWPEY-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]1C)OCCC(=O)O 2291319336 HPWIBMRNYRAFHR-OWCLPIDISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC1(C)C)OCCCN 2292733075 CFZPACJRMAJYAL-DLBZAZTESA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@H](OCCCN)c1ccsc1C 2292785060 QQXHJEJHVJJDBJ-KRWDZBQOSA-N 295.492 4.990 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1csc(C2CC2)c1 2292882213 MDHAQZVWWSJWAE-MRXNPFEDSA-N 293.476 4.778 30 10 CJEE C=C(C)CC[C@H](OCCCN)C1CCC(C(C)C)CC1 2292882367 NIRFWZFHNAZRSI-ABHNRTSZSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)C1CC(C)(C)C1 2292895880 GLBRUTJCERASOC-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H](C(C)C)C1 2292896364 UQOHPLNASPPZNU-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@]1(OCCN)CCC[C@@H](C(C)(C)C)CC1 2293050414 YGGQHOPFYBHEIM-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)[C@@H]1CCC[C@H](C)C1 2293362063 MFWSMWDGACCENI-LESCRADOSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CC[C@H]2C[C@@H]2C1 2293716706 GNMBITUXSXNZKO-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@@H]1CCC 2293824176 CKOMFKPPGPSUKS-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@](C)(C[C@]1(C)C[C@H]1C)OCCN 2293977266 CXEMDLZWDVDWLS-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC1(OCCN)CCC(C)(CC)CC1 2294047095 DXUGVFATVDQRJT-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2scc(C)c2C)CC1 2294118871 AZTIEOZNOMCYKB-MRXNPFEDSA-N 293.476 4.518 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C1=CCCC1 2294146773 YOJQUSXLUHALDV-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@H](OCCN)c1c(C)cccc1F 2294366272 GGJBPAMOEJWLQS-MRXNPFEDSA-N 281.415 4.511 30 10 CJEE Cc1ccc(C)c(C(=O)C=CNc2ccc(Cl)cc2)c1 2296876479 YZKOUPAESAHMAK-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE Cc1ccc(C(=O)C=Cc2cc(Cl)ccc2O)c(C)c1 2297511093 KWUGJBHBNYDPLM-UHFFFAOYSA-N 286.758 4.559 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1cccc(Cl)c1 2307102107 VEVLDALVCUQPES-CQSZACIVSA-N 272.841 4.701 30 10 CJEE C#CCCCCCNc1ccc(C)c(Br)c1F 2307568532 BZTDBKHKLZZLFU-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE CCCCCCCCCC[C@@]1(O)CC[C@H]1SC 2307617372 LIEJAIFFVYJJPR-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@H]1SC 2307853524 QBRJVAONVAMBPI-LSDHHAIUSA-N 257.487 4.563 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2309182495 QZAGWWLDZDDERF-VGWMRTNUSA-N 269.860 4.714 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCCC[C@@H]1NC 2313641611 KWHKSSIBSIQXOA-HRCADAONSA-N 269.498 4.775 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(F)ccc(C)c1Cl 2313861739 HGAOVYRHVPUMDR-CYBMUJFWSA-N 270.775 4.957 30 10 CJEE CC(=CCC1(C=O)CCSCC1)CCCC(C)C 2316520110 GDLMWCVGULPTHR-UHFFFAOYSA-N 268.466 4.861 30 10 CJEE FC(F)(F)C(F)(F)CCCCCCCC[C@@H]1CO1 2319584742 YARBBODJSSYVAP-SNVBAGLBSA-N 274.273 4.704 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H]1CC1(C)C)NCCC 2321108403 PFUHHWAPTUHIQS-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCC(C)(F)F)NCC 2321115625 GMLNTWIQZSKLNH-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C2CC2)s1 2321132012 VTWZOEVZKADQSZ-MLGOLLRUSA-N 263.450 4.878 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(C)ccc(Cl)c1F 2321238727 YWWPBKBGRFJHQG-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE CCCCCCC[C@](C)(SCCC1CC1)C(=O)O 2326959144 MCILSBNXAVDVFF-HNNXBMFYSA-N 272.454 4.724 30 10 CJEE CCCCCCCCCC[C@H](CC1(C)OCCO1)NCC 2328092240 SWCQLZSFNZXWNP-QGZVFWFLSA-N 299.499 4.648 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2c2ccccc2)CCC12CCC2 2332825143 DSGJNNLDCKWPQG-BQFCYCMXSA-N 251.373 4.654 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC 2334657626 GSLLCKXVXNZKFQ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@]23CCCC[C@@H]2CC3)CC1 2334756331 OFPMIBDAFNXMOY-KZNAEPCWSA-N 261.453 4.681 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(CC)cc1 2337067256 IPCNQPSSEXJVKS-FHLIZLRMSA-N 257.421 4.644 30 10 CJEE C=CCCCCOCCCCCCCNCC(C)C 2337935165 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2344376979 HUFRQPWETVHYEY-HNNXBMFYSA-N 266.331 4.973 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccccc1C(C)C 2344464735 AZHRAZGGOCSFQZ-QZTJIDSGSA-N 260.421 4.706 30 10 CJEE C[C@H]1c2ccccc2CN1C[C@@](C)(CS)C(C)(C)C 2352169029 OHFGOQOWXLJCNC-GUYCJALGSA-N 277.477 4.545 30 10 CJEE Cc1c(Cl)ccc([C@@](C)(O)C#CC2CCCC2)c1Cl 2353210721 MQLJXBVBXZOWDH-INIZCTEOSA-N 297.225 4.703 30 10 CJEE CSc1cc(N[C@@H]2CC[C@@H]2CC(C)C)ccc1C#N 2353827960 NKOSQLDOAIXQIG-IUODEOHRSA-N 274.433 4.517 30 10 CJEE CSc1cc(N[C@H]2CCC[C@H]2C(C)C)ccc1C#N 2353830774 OMTUVGYPCONCOA-GJZGRUSLSA-N 274.433 4.517 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2355287882 BHATVMINDQDJHZ-KFGODFMUSA-N 295.536 4.623 30 10 CJEE O[C@@H](C#CC1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359890294 NJRPLKSZKQAIFY-OKYOBFRVSA-N 274.448 4.538 30 10 CJEE C=CCC(CC=C)Sc1ccnc([C@H](C)NCCC)c1 2360371934 PJVZBYQSUMQOIX-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE Cc1ccc(/C=C\C(=O)/C=C/c2ccc(Cl)cc2)cc1 6404487 ANGSKDFFJBIPJD-QRBCZBMESA-N 282.770 4.944 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc2ccccc12 54823011 TZGMGGXJDYEXIL-NVXWUHKLSA-N 264.372 4.724 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccc(F)cc2)c(C)c1 57685608 LXXXHWHSGPFDCP-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE CCc1cc([C@@H](C#N)[C@H](C)c2ccccc2)ccc1OC 57746984 SAKSNQBVFZODKD-KDOFPFPSSA-N 279.383 4.668 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OCC)c(OCC)c1 59082406 CEKCJENFCCQHPY-INIZCTEOSA-N 293.451 4.844 30 10 CJEE CCCCCCCCOCCCOc1cccc(C#N)c1 59184544 CPEBLCLMOCOUGC-UHFFFAOYSA-N 289.419 4.704 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(C)s1 59526275 SWFNYAHKVWSVMP-UHFFFAOYSA-N 268.422 4.616 30 10 CJEE C[C@H]1CCC[C@@H](CCNc2cc(Cl)ccc2C#N)C1 70539644 CQYPFGKIAFFZAU-STQMWFEESA-N 276.811 4.840 30 10 CJEE SCCCCCCO[C@H]1CCCc2ccccc21 94583819 USYLYWFCNDPAMT-INIZCTEOSA-N 264.434 4.571 30 10 CJEE CCCC#CCCc1cc2c(cc1Cl)CCCC2 107568937 GDPNMRQLQMYDRA-UHFFFAOYSA-N 260.808 4.955 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(Cl)ccc1OCCC 107583436 JULOZNWLSPHZFH-CHWSQXEVSA-N 264.796 4.892 30 10 CJEE CCCCCCCC[C@@H](O)C1(c2ccccc2)CC1 109714813 CPRGJAQZRVBIFC-QGZVFWFLSA-N 260.421 4.830 30 10 CJEE CCCCCCCCCOc1ccc(C)cc1CCN 109766352 POLUXXBPUUDRPH-UHFFFAOYSA-N 277.452 4.626 30 10 CJEE CCCCCCCC(=O)c1nccc2ccccc12 112174473 IBJRTVIYLAIPRT-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCCC(=O)c1ccc(N)c(Cl)c1 115066752 PYDRFDHTTAQWHX-UHFFFAOYSA-N 267.800 4.856 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OC(F)F)cc1 115831529 MCAMOWHTIMNRQX-AWEZNQCLSA-N 272.335 4.682 30 10 CJEE CCCCCCC[C@H]1OCCC[C@@H]1CNC(C)(C)C 118605688 IHLRXOFUKMYHCT-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCNCc1nc(C)c(C)o1 124858403 YTIDDXNCMMNWCA-UHFFFAOYSA-N 266.429 4.522 30 10 CJEE CCCCCCCOCc1ccc(CCNC(C)C)cc1 125751419 URKZODRJBALTRB-UHFFFAOYSA-N 291.479 4.714 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(C#N)cc1 127827418 CPTYNXALRDVIMS-KRWDZBQOSA-N 259.393 4.516 30 10 CJEE C=CC[C@@H](NCCC)c1cc2c(s1)CCCCC2 128610442 FLYHBFQMLJAIMC-CQSZACIVSA-N 263.450 4.634 30 10 CJEE C=CCC[C@@H](C)Nc1c(Cl)cc(F)cc1Cl 132054333 DNNOSGDGGQDTJH-MRVPVSSYSA-N 262.155 4.899 30 10 CJEE CCCCCCCCCCC(=O)c1cccnc1OC 135635014 MNJLZVUSOBNHLK-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCCCCCC2)c(C)c1 156806261 ZSLQRPFTXXKSJA-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(F)ccc1O 160820799 IGCXPPQHZRXYOP-ZDUSSCGKSA-N 267.388 4.542 30 10 CJEE Cc1cc(C)c(C#N)c(NC2CC(C)(C)CC(C)(C)C2)n1 169231880 MTTUQVUCLAZXCL-UHFFFAOYSA-N 285.435 4.587 30 10 CJEE CC(C)(C)C1CCC(=NOCc2ccccc2)CC1 196835178 CCNVABLMAZVFHV-UHFFFAOYSA-N 259.393 4.796 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)[C@@]1(C#N)CCC[C@@H](C)C1 218189305 IZLKAGWLMIXPSE-ZBRFXRBCSA-N 277.452 4.530 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)O 218369132 DASGBFIDKONAER-MJBXVCDLSA-N 252.398 4.506 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1c(F)cc(C#N)cc1F 221636323 SCZCPJKYIIWBMT-KFNAQCHYSA-N 293.357 4.676 30 10 CJEE CCCCCCCCCCNCCCCOC(C)C 224973921 QTIVVBVHNYNIBK-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1C 228086051 RSJXDKRPYIKXHK-QLFBSQMISA-N 290.538 4.725 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(Cl)ccn1 228830989 OLRUUXQWUVZTFH-UHFFFAOYSA-N 282.815 4.814 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CC[C@@H](C)O1 228989577 FBKIUHFVXQWHFR-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE CCCCCCC[C@@H](CCC[C@H]1CCCO1)NCC 229505123 PBGZNGRWWGHXPH-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE O=C1C=C(c2cccc(Cl)c2Cl)CCCC1 230164165 FARHBFRNIBXZSJ-UHFFFAOYSA-N 255.144 4.520 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccc(F)c(C#N)c2)C1 230771292 HGLGBQXMGGKEQQ-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCCN[C@H](CC)c1ncc[nH]1 232915321 MBWVWLOIRRJUNK-OAHLLOKOSA-N 265.445 4.591 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](O)C(C)C 232928023 YEWRFIDTKVFPKA-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCC[C@@H](CC)CNc1ccc(C#N)cc1Cl 233057168 QQLZHRCDPHLXAC-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](C)c1ccccc1 233541268 NXBRBUBQUWJUNA-AEFFLSMTSA-N 259.437 4.905 30 10 CJEE C=CCCC[C@@H](NCC)c1scc(C)c1Cl 233599899 FTCHQTBLIYADAO-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1csc(Cl)c1 235524363 OFQVYOQGDRXRNY-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCC[C@@H](C(F)(F)F)C1 236315086 KSRNZDDKDYTVJW-MGPQQGTHSA-N 277.374 4.819 30 10 CJEE C=CCCCCC[C@H](O)c1cc2c(s1)CCCC2 236513115 VVVCMWUEBAGICF-AWEZNQCLSA-N 264.434 4.797 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1ccccc1C(F)(F)F 251885381 VOLSYPYMESVUAV-IUODEOHRSA-N 296.336 4.535 30 10 CJEE C=C(C)C[C@H](NCC)[C@H](c1ccccc1)[C@H](C)CC 253040708 KQPHDTIHCQYQDL-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=NNc1nc3ccccc3s1)C2 254306922 DSUZRVNQKPGKQB-APPDUMDISA-N 299.443 4.910 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cc2sccc2s1 309576516 PBIFNUARCSLSOH-UWVGGRQHSA-N 251.420 4.578 30 10 CJEE N#Cc1ccc(Oc2cc(F)ccc2Cl)cc1Cl 310771350 OGCAIDOTJOGHOJ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCC[C@H](NC)c1coc(C)n1 311537199 IFMGXHVGNFTEIK-HNNXBMFYSA-N 266.429 4.774 30 10 CJEE CCCCCCCCC[C@H](CNC(C)(C)C)OCC 315985331 VVHCFGCQOVSACH-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=CCCCCC[C@@]1(CNC)CCC[C@@H](CC)C1 317197386 NITXZSHOILWSOY-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C#C[C@@H](N[C@@H](CCCCC)c1ccccc1)C(C)C 381652852 DSNVDSLVWHEGBT-MSOLQXFVSA-N 257.421 4.555 30 10 CJEE C=CCCCCN[C@H](C)c1ccc2c(c1)CCCC2 381796335 IHUFNDFRBYEQCB-OAHLLOKOSA-N 257.421 4.572 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCc2ccccc21)c1ccccc1 384926595 PUGYDXUADQYWKI-HNAYVOBHSA-N 261.368 4.588 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@@H](C2CCCC2)CS1 395448670 YUKHCSMNUZWCKL-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE C=CCSc1ccccc1NC1C[C@@H]2CC[C@H](C1)S2 403690828 WSBGVQSJTBYELC-AGUYFDCRSA-N 291.485 4.803 30 10 CJEE C=CC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl 404816225 BJXPYQYXMVEPKF-UHFFFAOYSA-N 269.942 4.669 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C(F)F)nc1 658061002 RNVNHSNQJAEWBN-UMVBOHGHSA-N 294.389 4.805 30 10 CJEE CCCCCCCCC[C@]1(C=O)C[C@@H](C)O[C@H]1C 686428186 BZLYYSDNLGPAHB-OWCLPIDISA-N 254.414 4.510 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(SC)cc1 686681334 OYRXUEWLROVISH-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCC 686691199 HIXIEUZKUWADKP-KSZLIROESA-N 263.469 4.622 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc2ccccc2c1 686699281 CFBALKQHFFVHHW-IBGZPJMESA-N 265.400 4.684 30 10 CJEE C=CCC1(NCc2cccc(Cl)c2Cl)CCCC1 690766818 RMNIXGHQLGHPNG-UHFFFAOYSA-N 284.230 4.972 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 691050568 BKMXVHPTTMWHIA-LRDDRELGSA-N 276.811 4.982 30 10 CJEE CCCCCCCCC[C@]1(C=O)CCOC1(C)C 693332770 MTIMREBPYVPKIV-MRXNPFEDSA-N 254.414 4.511 30 10 CJEE CC(C)(C#N)CCCCNCc1cc2cscc2s1 693990263 ZSVAKGQIMQQFPQ-UHFFFAOYSA-N 292.473 4.772 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](C)C(F)(F)F 697702489 HTHKPVUOVLJUAX-NWDGAFQWSA-N 253.352 4.523 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCC[C@H]1C1CCCCC1 708490896 GFPLZEHXPIOBGB-INIZCTEOSA-N 288.822 4.761 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@H]1OCC 709664455 RTTQTUUDXUYCFV-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CC(C)(C)CCNCC1CCC(C(F)(F)F)CC1 712995032 CISSMCFAXKJKTI-UHFFFAOYSA-N 277.374 4.547 30 10 CJEE C[C@@H]1CCC[C@H]1C/N=C1/NC2(CCCCCCC2)CS1 713202618 KJNVJYXIPLBKQS-CABCVRRESA-N 294.508 4.598 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714394884 AZHDNAQBAGAZKP-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CSc1ccccc1C)NCCC 715717992 FFTHVLQAVILUAB-HOCLYGCPSA-N 277.477 4.668 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(F)cc2Cl)CC1 724546332 YNQYRVGTFFHLQH-INIZCTEOSA-N 281.802 4.876 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2cccc(Cl)c2F)C1 1195947620 VWGWKSAFOOKXQD-OLZOCXBDSA-N 281.802 4.828 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(-c3ccccc3)o2)C1 1199421788 ZNYZKSOWOURKLV-NVXWUHKLSA-N 281.399 4.781 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2CCCC)cc1 1205751919 GCIFPDCXVPVMKT-PKOBYXMFSA-N 287.447 4.700 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C(CCC)CCC 1265133176 CVMVGACCEIMUPY-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=CCCCC(=O)N(CCCC)Cc1ccccc1Cl 1360705619 CMHWOWNXEULXCG-UHFFFAOYSA-N 293.838 4.825 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccccc1C(C)C 1435239244 AVGNRUAAOFHYEN-UHFFFAOYSA-N 273.420 4.628 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccccc1C1(C)CC1 1435240497 JHTVYCPVMUWCPZ-UHFFFAOYSA-N 285.431 4.557 30 10 CJEE C=C(C)CCC(=O)Oc1cc(Cl)c(Cl)cc1CC 1435874892 GIFVIEQFWDTRCO-UHFFFAOYSA-N 287.186 4.818 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(c3ccc(C)cc3C)CC2)C1 1461538796 BNOIOBUDWJPNNU-ROUUACIJSA-N 283.459 4.669 30 10 CJEE C=CCN(Cc1cc(C)cc(Cl)c1)Cc1cccs1 1474411334 CVJSJDFLXZXALR-UHFFFAOYSA-N 291.847 4.898 30 10 CJEE C#CCN(Cc1ccccc1)Cc1cc(C(C)(C)C)oc1C 1474512221 BZKTZAFTXAYAQL-UHFFFAOYSA-N 295.426 4.521 30 10 CJEE C=CCC1(CNC(=O)C/C=C\c2ccc(C)cc2)CCCC1 1525699571 YEQZJORLKGMAFO-SREVYHEPSA-N 297.442 4.651 30 10 CJEE C=CC1(CC(=O)N2CCc3cccc(CC)c32)CCCCC1 1535503995 OHURWLVCQIDVMD-UHFFFAOYSA-N 297.442 4.665 30 10 CJEE C=CCC1(C(=O)NCCC2=CCCCCC2)CCCCC1 1538130542 NDLVEFFUOUTQTP-UHFFFAOYSA-N 289.463 4.910 30 10 CJEE C=CCCC1(CNC(=O)CCCCCC)CCCC1 1538899080 BAYKUVSUQAKOCP-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CCCCCCSc1nc(CC)c(C)s1 1559435551 SMMBHRZLAKGGFU-UHFFFAOYSA-N 255.452 4.852 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1cc(Cl)sc1Cl 1587345302 NOSPRSYPJSABMQ-MRVPVSSYSA-N 293.215 4.700 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(C2CCC2)cc1 1587776543 MWFKEZXQQVXUOJ-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1CCC(C)C 1627011464 RBDAZVLQWNVZTQ-UHFFFAOYSA-N 273.420 4.816 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)C(CC)CC)c1 1627394704 CSCVXMRMQMUUHL-ZDUSSCGKSA-N 259.393 4.731 30 10 CJEE C=C[C@H](C(=O)N1CCC(CCC(C)C)CC1)c1ccccc1 1631383999 YEHNYJZHPULEHW-IBGZPJMESA-N 299.458 4.631 30 10 CJEE C#CCN(C[C@@H]1CCCCC1(C)C)[C@H]1CCc2ccccc21 1641587778 GUISQVOXFPKLRX-ICSRJNTNSA-N 295.470 4.826 30 10 CJEE C=CCCN(C[C@@H]1CCCC[C@@H]1C)OCc1ccccc1 1642775054 YIWWFMIOVJPMMY-HKUYNNGSSA-N 287.447 4.823 30 10 CJEE C=C(CC)CN1CCC[C@@]1(C)Cc1ccc(Cl)s1 1656325024 WHEPECKKHLXDDF-HNNXBMFYSA-N 283.868 4.765 30 10 CJEE Cc1cc(CNc2cccc(C3CCC3)c2)ccc1C#N 1657445699 HLGSEXYTSJGYBN-UHFFFAOYSA-N 276.383 4.746 30 10 CJEE C=C1CCC(CN[C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 1658875713 RCYOTSPZQCRFBA-MOPGFXCFSA-N 298.474 4.752 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@]2(C)CCCc3ccccc32)C1 1662120420 NIMAQRHKDIVZFE-KPFFTGBYSA-N 283.459 4.615 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CC 1667410946 KBYKSOCCSHHYTR-NVXWUHKLSA-N 286.419 4.505 30 10 CJEE CCCCC[C@H](CC)N(C)c1ccc(C#N)c(C)c1 1879295377 QHFWSCBMMZUOOX-INIZCTEOSA-N 258.409 4.662 30 10 CJEE CC#CCCC[C@@H](NCC)C1CCC(C(C)C)CC1 1879650858 OAONHIYOWVZZFE-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H](CC(C)C)C(C)C 1885228058 LEKMJXHAIAKULO-MSOLQXFVSA-N 265.485 4.867 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)C 1885239172 YJJHVUUMJBFLQD-KSZLIROESA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H]1CCCC1(C)C 1888712455 SWHHNEMKFPEMPM-DLBZAZTESA-N 257.421 4.504 30 10 CJEE C=C(CC)C[C@@H](O)c1c(Cl)cc(C)cc1Cl 1905221402 BLQYBNRDXCHCML-GFCCVEGCSA-N 259.176 4.692 30 10 CJEE CCCCCCCCCC[C@H](N)C1CC2(CCCO2)C1 1912606963 MYSPRRIJPZPEQU-ADKAHSJRSA-N 281.484 4.804 30 10 CJEE CCCCCCCCOc1cc(F)c([N+](=O)[O-])cc1F 1916474248 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CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCOC[C@@H]1C 2207406640 ZJDMTIKLQYNOCC-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CCOCC[C@@H]1C 2207428904 CWIDMVHYOJLEQF-ZWKOTPCHSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCCC[C@@](C)(N)C[C@@H]1CCOC1 2207431593 GWBLCWUFOUMMOR-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCC[C@H](CCN)C1 2207440496 YERWPOYPLWMMDH-QZTJIDSGSA-N 281.484 4.563 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@@H](C)C1CC1)NN 2207441041 ZWQFWVIZTIHROQ-SJLPKXTDSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@H](NN)C(C)(C)C1CCC1 2207442355 QFKSDLYOCDKRGW-KRWDZBQOSA-N 280.500 4.951 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CC1CCC=CCC1 2207469699 OETRSPYIXKYLRA-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@@H](C)SC1 2214622041 LWZXAZVCZKFQCW-HUUCEWRRSA-N 256.455 4.550 30 10 CJEE CCCCCCCCCCCOCCC[C@H](C)N 2223263422 FTNIUTDBKKSMIG-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CC1(F)F 2223830127 LUTBODTZIXSIKG-KBPBESRZSA-N 261.400 4.890 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(CC(C)C)cc1 2225665389 DEYBMXOAPSHURU-YJBOKZPZSA-N 259.437 4.748 30 10 CJEE C=CCCCCCCCNCc1cnc(CCC)s1 2227267555 HMHDYXLPAHIPMP-UHFFFAOYSA-N 280.481 4.712 30 10 CJEE C=CCCCCCCCN(C)CC1CC2(CSC2)C1 2227278614 AUNMSESXJTWUCR-UHFFFAOYSA-N 281.509 4.588 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]21 2227286791 NPWUAKFSDJRYLD-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC(=O)c1cnc(C)cc1C 2227289198 SHQAQBLDXAEGOY-UHFFFAOYSA-N 259.393 4.798 30 10 CJEE CCCCCCCCC[C@@H]1CNCC[C@H]1C(F)(F)F 2229400030 FOFGECOVBPWUOJ-ZIAGYGMSSA-N 279.390 4.915 30 10 CJEE CCCCCCCC[C@@H](NC)c1nc(C)ccc1F 2229641685 DMBVAUVUVYEOIU-OAHLLOKOSA-N 266.404 4.540 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C1CCCC1 2229676309 PBEHGVWCFDGSOS-MEDUHNTESA-N 296.241 4.836 30 10 CJEE CCCCCCCCCCOc1nc(Cl)ncc1F 2231017960 GJCNDTBHWNVWDP-UHFFFAOYSA-N 288.794 4.789 30 10 CJEE CCCCCCCCCCOCC1(CNC)CCC1 2231019554 NDKGLKMBPHGQSU-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE Cc1cccc(C(=O)C#Cc2cccc(Cl)c2)c1Cl 2231084518 JJHGIJIGSABKFY-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE N#CC1(COCc2ccc(Cl)cc2Cl)CCCCC1 2231108728 SPKSPAMFYDBPRJ-UHFFFAOYSA-N 298.213 4.984 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)CCO[C@@H]1C 2231550729 BWBYTTQOXPYNFH-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE N#C[C@H](C(=O)CC1CCCCC1)c1ccc(F)c(Cl)c1 2233364204 LYLXJVJZPCFIRY-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233634178 HSMPKRBARANCTC-OYSTVDSJSA-N 275.480 4.621 30 10 CJEE C=C(CNCC1C[C@H]2CCC[C@H](C1)C2)c1ccccc1 2233694425 SYTYWOQJIWJLTE-IRXDYDNUSA-N 269.432 4.506 30 10 CJEE C=CCCCCCCCCO[C@H]1C[C@H](O)CC(C)(C)C1 2234050589 HGUOKPNLPOMCSO-IRXDYDNUSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc2nsnc2c1 2235524884 VGEIEXNYHBTIIF-MRXNPFEDSA-N 290.432 4.641 30 10 CJEE C=CCCCCCCCN1CC(CC(F)F)(C2CC2)C1 2235534149 FHTMOAIXYGVQRA-UHFFFAOYSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCC[C@H](CC(C)(C)C(F)(F)F)NN 2235534811 JYEYDYHERKVZGV-CYBMUJFWSA-N 294.405 4.714 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@](C)(O)CCC(C)C 2235541664 KERCQHCBUWIGKZ-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=C1C[C@H]2CC(Nc3c(C)cccc3OC)C[C@@H](C1)C2 2235777261 HVMCZNLLFLVDIT-XYPWUTKMSA-N 271.404 4.550 30 10 CJEE CC(C)(C)C#CCNCc1ccc(-c2ccccc2)s1 2239091278 LANQVFDODYPURD-UHFFFAOYSA-N 283.440 4.554 30 10 CJEE CC(C)c1ccccc1[C@@H](N)C#Cc1cccc(Cl)c1 2239462988 MEXZZAYCHALJAV-SFHVURJKSA-N 283.802 4.515 30 10 CJEE CCCCCCCCCOCCCC(C)(C)C(=N)NO 2239479995 ATIQRDOWJNIBCO-UHFFFAOYSA-N 286.460 4.516 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1[C@H](NC)CC(C)(C)C1(C)C 2239497595 BIBQGPAFEMHICU-OAGGEKHMSA-N 281.484 4.551 30 10 CJEE CCCCCCCCCO[C@]1(C(=O)O)CC[C@H](CC)C1 2239524378 ALJDRVZESACUSZ-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CC)[C@H]1CCCOC1 2240646469 AQLQAGKVEYNNHM-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](C)NCC12CC(CC)(CO1)C2 2240655895 CIUABXSDTLJVQB-AOCRQIFASA-N 281.484 4.674 30 10 CJEE O=C(CC#CC1CCCCC1)c1ccc2occc2c1 2241154312 VHKKQRLEESBKBA-UHFFFAOYSA-N 266.340 4.589 30 10 CJEE C=C[C@H](C)CCN(C)Cc1cc(Cl)cc(Cl)c1 2251013604 FDKPOIFPNLVHMU-NSHDSACASA-N 272.219 4.637 30 10 CJEE C=CC[C@H](CC[C@H]1CCC[C@H](C)C1)CNCCC 2253937148 HFNZIOICBPMPGW-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@]1(C)CCCSC1 2259211095 JEYBQCHFJFEQBY-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE CC[C@H](C1CCCC1)N(C)CCCCCCCS 2263201521 BVGALYDKIDNCEJ-MRXNPFEDSA-N 271.514 4.767 30 10 CJEE C[C@H](N(C)CCCCCCCS)C1(C)CCCC1 2263202718 JSSHWUGUTIAQKM-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1CC[C@H](C(F)(F)F)C1 2264913478 PGQGUOLMNYATQE-RDBSUJKOSA-N 278.358 4.853 30 10 CJEE C=C([C@H](NCC)[C@H]1CC[C@@H](C(F)(F)F)C1)C(C)(C)C 2264937137 AAHFFCLQCTWSSY-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE CC1(C)C[C@]1(C=O)CCC12CC3CC(CC(C3)C1)C2 2265111581 OHWOMSXWCWCFFY-AXBMVZGFSA-N 260.421 4.598 30 10 CJEE CCCCCCC[C@H](C)NN(C1CCC1)C1CCC1 2266494527 IKOJWJQFIBOFOQ-HNNXBMFYSA-N 266.473 4.647 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1cscc1F 2268747458 JLKNVNPIAZNBEW-OAHLLOKOSA-N 279.424 4.534 30 10 CJEE Cc1cccc([C@@H](O)CC=CC#CC(C)(C)C)c1Cl 2268828064 YFVBZEPQTYIZIN-HNNXBMFYSA-N 276.807 4.678 30 10 CJEE C[C@@H]1C[C@H]1CCCCCC1(C=O)CCC(F)(F)CC1 2269472463 XTTOQWLUZPKKLA-ZIAGYGMSSA-N 272.379 4.988 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H]2CCC[C@H]2C(F)F)C1 2270045683 SOOLKVHHAHHYHF-ZENOOKHLSA-N 272.379 4.843 30 10 CJEE C=CCCCSc1cccc(C)c1CNC(C)(C)C 2271580285 CYYULDVHICXQPM-UHFFFAOYSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc2c(c1)CCCC2 2271767312 UTFLWVGEGZUBFW-SFHVURJKSA-N 257.421 4.702 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)COC(C)(C)C1 2272284433 OWZFLSOQMWMLRA-WBVHZDCISA-N 265.441 4.938 30 10 CJEE N#Cc1cc(Cl)ccc1NC[C@]12CCCC[C@@H]1CC2 2273376890 GUWXAOUSCLYWMT-CZUORRHYSA-N 274.795 4.594 30 10 CJEE CCCCCCC[C@@](CCC)(OCCCN)C(F)F 2276736215 AYMJCJXPJBGASH-OAHLLOKOSA-N 279.415 4.516 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)CC)OCCCN 2277121612 KJDJPWDOXQSHMQ-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccc(C)cn1 2278167328 SMMYRFTUIVVXGA-KRWDZBQOSA-N 262.441 4.705 30 10 CJEE N[C@@H](CC#CC1CCCCC1)C[C@H]1CCCCC12CC2 2279515515 GJBPZFOKXMYMRV-MSOLQXFVSA-N 273.464 4.648 30 10 CJEE Cc1cc(N[C@H](C)[C@H]2CCC[C@@H](C)C2)cc(C)c1C#N 2280570518 OFMPNOWHFWXZOD-WQVCFCJDSA-N 270.420 4.802 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CC1=CCCCC1)NCC 2281254464 QTBAPINDMVUCNS-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H](O)c1csc(C2CC2)c1 2283063531 WJEKCUPSBVPSBM-NVXWUHKLSA-N 293.476 4.513 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)c1ccc(C)s1 2290860461 UXTRAYWKFKCKHD-MRXNPFEDSA-N 298.448 4.733 30 10 CJEE CCCCCCCC1(OCC(=O)O)CCCCCCC1 2290876849 FYWOADQDQFUCLM-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1cccc(Cl)c1 2290917257 GXEFTLNYLWNTAG-OAHLLOKOSA-N 298.810 4.843 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)C(C)(C)C(C)C 2291668287 SGDISPYTEYNLKL-HNNXBMFYSA-N 284.440 4.665 30 10 CJEE C=CC1CC(CCCCCCCCCC)(OCCN)C1 2293503601 CGQVOUWQQQJXJY-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C#CC(C)(C)C[C@@](C)(CCCCCCC)OCCCN 2293569672 MQKPYGMYRXSBPT-GOSISDBHSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@](CCC)(OCCN)[C@@H]1CC1(C)C 2293656718 BSZQUPXHUJFOKZ-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](CC1CC(F)(F)C1)OCCN 2294397207 FXDIGEAZSFKAFP-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@](C)(C[C@H]1CC1(C)C)OCCN 2294493787 HTCCZSDNOBVCMK-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC1(OCCN)C[C@@H]2CCC[C@H]2C1 2294567520 HJUVNVQYWDZQRX-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(OCC1(C)CC1)C(=O)O 2295595815 CVIOEWUSFIJRAT-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H]1C[C@@H](CC)CCN1 2295603610 NTUDKDYWHZOJCR-KSZLIROESA-N 283.500 4.656 30 10 CJEE CCNc1cccc(C#Cc2ccc3ccsc3c2)c1 2296000083 KPFNZDJBTYRZSU-UHFFFAOYSA-N 277.392 4.733 30 10 CJEE CCCCCCCCCC[C@@H](O)CCC[C@@H]1CCNC1 2296102254 VZHPROJVYKWPDX-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE C=C[C@H](C)CCN(C)CCCCCCCCCCCN 2296285846 FSFZOALUUYRDSA-SFHVURJKSA-N 282.516 4.600 30 10 CJEE C=CC[C@@H](C)Sc1nc(Cl)c([C@H](C)NCC)s1 2298941678 FVHUFHVTUDVBAR-BDAKNGLRSA-N 290.885 4.524 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2304541398 KWPNOIDOALETEL-SECBINFHSA-N 279.783 4.956 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2306253273 CWFRRXBSZQXTRY-ISVAXAHUSA-N 277.166 4.768 30 10 CJEE C=CCC(CC=C)S[C@@H](C)CNC1CCCCC1 2313691212 DQKUGWCSGMDOFU-AWEZNQCLSA-N 267.482 4.551 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1CO 2315556636 DOJRJSMSDQJECJ-UHFFFAOYSA-N 286.799 4.584 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2318361744 CNLGJJWSACLFSS-OTYXRUKQSA-N 290.209 4.995 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1CCC(CC)CC1 2321114210 VTNMDFDBMUTUEZ-GQGLESIBSA-N 251.458 4.913 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)C[C@H]1CC[C@H](CC)CC1 2321142374 VTNMDFDBMUTUEZ-QBPKDAKJSA-N 251.458 4.913 30 10 CJEE CCCCCCCCNC[C@H]1C[C@@H](C(F)(F)F)C1 2327729594 UOSQMSNQJVDSOG-BETUJISGSA-N 265.363 4.525 30 10 CJEE CC#CCCCC[C@H](O)c1c(Cl)cc(C)cc1Cl 2327900841 VFQQZIROEYTYHS-AWEZNQCLSA-N 285.214 4.919 30 10 CJEE CCCCON=C(CC)c1ccc(SCC)cc1 2330293257 KQSJPYQVOFRQCK-UHFFFAOYSA-N 265.422 4.729 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330348316 CTXYYBSPADHBTM-OBVSXPTNSA-N 263.469 4.761 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CC[C@H](CC)O1 2332949396 ZLLBLQCFYYLSJM-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CCC(CC=C)SCC[C@H]1CCC[C@H]1NCCC 2335095886 GZMDYJLKZOEMHW-NVXWUHKLSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC2(CC2)[C@@H]1NC 2335101352 TWGDFICBCQZREZ-JKSUJKDBSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)Sc1nc([C@@H](C)NCCC)cs1 2335237047 BUMPHHIYOLWKME-GFCCVEGCSA-N 296.505 4.817 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cccc1[C@@H](C)NCCC 2335239454 UXGZZHFLUQSVMQ-CHWSQXEVSA-N 281.440 4.943 30 10 CJEE CCCCCCCCCN[C@H](CC)[C@@H]1CCCCO1 2337284495 BOZOHUITZMVKIK-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1 2338743797 JBQXYZCOBVJNKI-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C12CCCC1CCC2 2338747458 QIHAZQXLBYFBRB-ADKAHSJRSA-N 261.453 4.703 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338788202 UIHAYFCMBQRNFV-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C#CC[C@H](CO[C@@H](CCC)c1ccccc1)C1CC1 2340542422 FLGIPLQIPXFNCT-MSOLQXFVSA-N 256.389 4.594 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@@H]2CC[C@@H]2C1)NCC 2344341285 ALEGZFXABUHFPK-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@](CC)(CCC(C)C)C(=O)O 2351992041 SKSLFGGACBVHHJ-MRXNPFEDSA-N 284.465 4.910 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCCC12CCCCC2 2352016622 IDEFJJHYORWAPK-BBRMVZONSA-N 282.449 4.642 30 10 CJEE C=C1CC(C(=O)O)([C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353218117 PQGUJJGXROBYBD-JTQLQIEISA-N 299.197 4.826 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H](C)CC1CC1 2360309404 LRZGTYMLGPYIKB-JQHSSLGASA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)SC[C@@](C#N)(NCC)C1CCCCCC1 2360333204 IWPZKINGDQHHHN-DOTOQJQBSA-N 294.508 4.526 30 10 CJEE CC[C@H](CC#N)Sc1cc(Cl)ccc1Cl 36679238 RBHCNDKPDFCDDJ-SECBINFHSA-N 260.189 4.778 30 10 CJEE C=CCSc1ccccc1NCc1cccc(OCC)c1 37766688 IVPUBTTXQOGQTM-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE C/C(=N/Nc1ccccc1C(F)(F)F)c1cccs1 38374214 OHQLOUUNKFPVMV-MFOYZWKCSA-N 284.306 4.603 30 10 CJEE CCc1ccc(C[C@@H](C#N)c2ccccc2Cl)cc1 41391007 DYIKWNPVUGHAAK-HNNXBMFYSA-N 269.775 4.752 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](c1ccc(F)cc1)C1CC1 50429985 PXKRDZYGNXLUKX-GOSISDBHSA-N 280.346 4.569 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 51635821 ULIVPYKYDMUHGV-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE N#C[C@H]1CCC[C@@H]1Nc1ccccc1Oc1ccccc1 54823168 VYWMRUDVPKJHHQ-ZBFHGGJFSA-N 278.355 4.583 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1 54823712 FDSJTMAMSFTGJY-YGRLFVJLSA-N 283.202 4.878 30 10 CJEE N#C[C@H](CCCc1ccccc1)c1ccccc1Cl 57685501 JMOALCMXJYNJQT-HNNXBMFYSA-N 269.775 4.970 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)Cc1cccc(F)c1 57750453 BTMATMHNQUATOI-INIZCTEOSA-N 297.373 4.808 30 10 CJEE CN(/N=C/c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 59148482 FHSUKRMRKHPVDC-PXLXIMEGSA-N 298.389 4.728 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(=O)O)ccc1F 59462106 JLVUDUDNWNUALH-LBPRGKRZSA-N 281.371 4.685 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 68603195 RJORYNXIYKFROT-YPMHNXCESA-N 296.336 4.958 30 10 CJEE N#Cc1ccccc1Oc1ccc(F)c(C(F)(F)F)c1 75914655 JWSYGUUTVZFCTM-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE Cc1cc2c(cc1C)N(CCC#N)CC1(CCCCCC1)N2 76932871 LNMHGMLORCQOCB-UHFFFAOYSA-N 297.446 4.542 30 10 CJEE SCc1c2c(nc3c(Cl)cc(Cl)cc13)CCCC2 82480152 UPSZHKAYUMKBDS-UHFFFAOYSA-N 298.238 4.850 30 10 CJEE CCCOc1ccc(C)cc1C(=O)/C=C/c1ccccc1 83205153 UVIVWDZUNPGDCR-ZHACJKMWSA-N 280.367 4.680 30 10 CJEE C[C@@H]1CC(Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 84961043 HBIDEYYLQFZYKI-QWRGUYRKSA-N 297.320 4.781 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)c(Cl)c2)C1 87973386 LXTHSSRLXAQKNC-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE CC[C@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 88191305 RYTIJPBUECVYKU-CMPLNLGQSA-N 282.309 4.568 30 10 CJEE N#Cc1cc(CSc2ccc(Cl)c(Cl)c2)ccn1 88304085 QZRTUJSXFCTUCJ-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE Cl/C(=N\c1cccc2ccccc12)c1ccncc1 90476668 AGCNEQHDKYLVGX-MNDPQUGUSA-N 266.731 4.552 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCC[C@H]2CC)CC1 91886087 NBHWTXCEAQKSFA-FPQWYMTMSA-N 277.452 4.818 30 10 CJEE C=C(C)C[C@H](NCC)C(c1ccccc1)c1ccccc1 92129370 YHFQCMGFEMIGPJ-IBGZPJMESA-N 279.427 4.763 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634220 AXGHKWUYDQGEOV-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CCCC(CS)(CCC)CN1CCc2sccc2C1 94578130 LHNPSXUJKHDROY-UHFFFAOYSA-N 297.533 4.623 30 10 CJEE CC(C)c1cccc(OCC[C@@H](C)CCS)c1 94582617 FPFCZFCDDPPDBU-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](N)CC[C@@H]1C 109887024 LUVONRQVRKFCMN-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@H]1CC(C)C 114061745 QHGYBPFPTBRBFT-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCN1C[C@](C)(C2CC2)NC[C@@H]1C 114070029 WUIVGIVRCPYZCJ-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCOC1(CN)CCC(C)(C)CC1 114800969 LBUAFNWHFXWXDX-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](O)c1ccccc1OCC 114873201 LBSSQFNWFFWZJA-INIZCTEOSA-N 264.409 4.869 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@H]1[C@@H](C)CC 115249469 PGOVBUSXPHZBQP-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@@H](C(C)C)C1 115653880 QDNFRNDEUFPUSI-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)cc1F 115856880 QODUBJGSEKMCOB-QGZVFWFLSA-N 281.415 4.975 30 10 CJEE CCCCCCC[C@@H](CO)Cc1ccccc1Cl 117329227 QUAIYYWJWNLFDR-CQSZACIVSA-N 268.828 4.852 30 10 CJEE CCCCCCCCn1cccc1CNC(C)(C)C 117583843 AGGCBWSTDAIVQN-UHFFFAOYSA-N 264.457 4.737 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cnccc1C 123831469 XJWKLAAHHLFEGW-GOSISDBHSA-N 291.483 4.815 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1Cc2ccccc2O1 126244620 FTSQUKKQZWZCEQ-PKOBYXMFSA-N 289.463 4.848 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCCO1)NCC 127187069 DYHDLCONRXOJAB-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1cc(C)c(C)c(Oc2c(F)cc(C#N)cc2F)c1 127472012 UJJJYTWVFBQPKL-UHFFFAOYSA-N 273.282 4.554 30 10 CJEE CC(C)NC/C(=C/c1ccc(C#N)cc1)C1CCCCC1 127624738 MZTDHSNXWLJASK-UNOMPAQXSA-N 282.431 4.520 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@H]2CCCc3ccccc32)c1 127828613 LMKQVWYYUGNVCV-OAHLLOKOSA-N 296.801 4.744 30 10 CJEE Cc1ccc2nc(Nc3cc(C#N)ccc3Cl)sc2c1 127980839 PWPCJEHFGPIFDW-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CCCCCCCCCCCC[C@@H](N)CCN(C)C 134777610 QOEOXQWTSSGVNO-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CCCCCCCCCC[C@H](N)c1cncc(C)c1 143458393 KCEWIODOXXAWEA-KRWDZBQOSA-N 262.441 4.921 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)C2CCCCCC2)cc1 149794990 GBGHHTQXKUQMRF-INIZCTEOSA-N 287.447 4.700 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(Cl)cc(Cl)c1 156953695 KEMNCYJLYACEOH-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C=C(C)CCC1(C(=O)O)CCC(C(C)(C)C)CC1 164472687 UGOFTAJNCDOMIL-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C(C)(C)C)cc1 167755842 RXOIWTCFYBWFQT-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCCOCc1ccccc1CCNCC 167945505 NGJVJFXXYDEHSG-UHFFFAOYSA-N 291.479 4.716 30 10 CJEE CCCC(CCC)/C(=N/C1CCCCC1)C(OC)OC 205824231 XPFJLTUXZBMPBK-VLGSPTGOSA-N 283.456 4.595 30 10 CJEE CCc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1 216706152 WVNJZIFTVUDNCV-KHPPLWFESA-N 288.749 4.938 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](C)[C@H]1CCCNC1 226721396 JFNBGFQMPMLZRN-SJORKVTESA-N 281.484 4.722 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C(C)(C)C)cc1 229737741 ARQGJTLBTKRKIE-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCCCCNc1nnc(CC)s1 232931083 FQIUOUWUCRQVPV-UHFFFAOYSA-N 269.458 4.653 30 10 CJEE CCCCCCCCC[C@@](O)(COC)c1ccccc1 232966102 WPOTZJLWYFVWAL-GOSISDBHSA-N 278.436 4.661 30 10 CJEE C=CCCCCC[C@@H](O)[C@H](C)Oc1cccc(Cl)c1 235559774 KPWJHNAIUXVJIR-XJKSGUPXSA-N 282.811 4.605 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC[C@H]2C(C)(C)C)C1 252561784 WOPZEEZPBCTTLZ-FZCLSBEQSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252898257 FOPVZXWCPRGJOS-ZBRFXRBCSA-N 283.500 4.775 30 10 CJEE CCCCCCC[C@@H](C)N(C[C@H]1CCCCN1)C(C)C 300192393 CRIYHDXPEYCHDO-QZTJIDSGSA-N 282.516 4.588 30 10 CJEE CC(C)(C)C#CCC(=O)c1csc2ccccc12 305896058 IZKURLOUEYTVGS-UHFFFAOYSA-N 256.370 4.524 30 10 CJEE C=CCCCCN[C@@H](C)c1cc2ccccc2s1 311221924 VHMKQTRGNQTTLF-ZDUSSCGKSA-N 259.418 4.908 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CCCC[C@H]1N 311835183 PQPCPFPCDDCYKY-NVXWUHKLSA-N 267.457 4.604 30 10 CJEE C=CCCCCCCNCc1cnc(C(C)(C)C)s1 312118775 SSVARGVLMWBFPI-UHFFFAOYSA-N 280.481 4.667 30 10 CJEE CCCNCC1(CC#CC(C)(C)C)CCC(C)CC1 317412344 TXAIKAKAFXSCMK-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCCCC[C@@H](CNC1CC1)OC(C)C 318276264 KPOAMEZHLXUEGW-KRWDZBQOSA-N 269.473 4.673 30 10 CJEE CC[C@H](CC#N)Sc1ccc(Cl)cc1Cl 322990791 CQJDFFGYLSNAJI-SECBINFHSA-N 260.189 4.778 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H]2CCCCC2(F)F)CC1 382042365 DMQLUVFBVOJLKD-YPMHNXCESA-N 256.336 4.518 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(C(C)C)cc1 386871198 XJGQQDKUIMLYEY-QGZVFWFLSA-N 273.464 4.933 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc2ccccc2c1 393737544 AWVZKTXBMFYLDE-RDTXWAMCSA-N 253.389 4.845 30 10 CJEE C[C@@H](NCCCCCC#N)c1ccc(Cl)cc1Cl 395406027 ZCCMBSDAOOUDKS-LLVKDONJSA-N 285.218 4.728 30 10 CJEE CC1(C)CC/C(=C\B2OC(C)(C)C(C)(C)O2)c2ccccc21 396737837 YMIKKAZXRJRKBP-BUHFOSPRSA-N 298.235 4.773 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCCCC1)c1ccc(Cl)s1 397096038 BGJVQVIINORYJV-WCQYABFASA-N 296.867 4.772 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1ccccc1Cl 397509805 MCLSIDQCLBKXEO-JTQLQIEISA-N 253.798 4.618 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] 398107467 AKJNMOYANNGKPU-JTQLQIEISA-N 284.306 4.689 30 10 CJEE C=CCCc1ccccc1NCc1ncc(C(C)(C)C)o1 409847139 JIIIDINFWVOATM-UHFFFAOYSA-N 284.403 4.703 30 10 CJEE C=CCCc1ccccc1NC(=O)c1oc(CC)cc1C 410346595 WGBSQZRHEMJFFK-UHFFFAOYSA-N 283.371 4.521 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CCC)[C@H]1CCc2ccccc21 464533945 JLSWREJIQYRHSS-YJBOKZPZSA-N 285.431 4.515 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@@H](c1ccccc1)c1ccco1 531689937 VJOJGWSAUAFCPW-MPGHIAIKSA-N 269.388 4.559 30 10 CJEE CCCCCCCC[C@H]1CC[C@@H](C(F)(F)F)NC1 694077511 NYBKXNNFMOIKSJ-STQMWFEESA-N 265.363 4.668 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@H]1C1CC1 699159561 QTIRGEHIURANMH-ULQDDVLXSA-N 251.458 4.761 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)c1ccc(CC)cc1 701871877 OBAOIXBLCWOUPF-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE C=CCSC[C@@H](NCC)c1cc(Cl)ccc1Cl 708620825 UTJJZIOWNRGWMV-CYBMUJFWSA-N 290.259 4.563 30 10 CJEE CSc1cccc(N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1C#N 708879995 RGLWCHBFCKXMGN-XNJGSVPQSA-N 286.444 4.661 30 10 CJEE CCCCCCCCC[C@H]1C(=O)CCN1C1CCCC1 712101576 PEUIOVLFNRKNPQ-KRWDZBQOSA-N 279.468 4.713 30 10 CJEE C[C@@H]1CCC[C@@H](/N=C2/NC3(CCCCCCC3)CS2)C1 713201465 CCOQVYDLIRTXHV-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE CCCCCCCC[C@H](NC)C(C)(C)c1ccncc1 714384947 MLDSECKCQBFTDG-KRWDZBQOSA-N 276.468 4.698 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CCCS1 715661626 WZWIOHFOLMQIQI-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)cc(Br)c1 715723778 ZJZCPBWJWJTXQZ-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)cc1 715770429 PXGQTOORSWDQTI-ZDUSSCGKSA-N 263.450 4.631 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CCC2(CCC2)O1 716900708 PINYQUQLLZICGF-IAGOWNOFSA-N 281.484 4.946 30 10 CJEE C=C(CN[C@@H]1CCCCCC1(C)C)c1ccccc1 718964489 AENHDLTWVWKECX-QGZVFWFLSA-N 257.421 4.648 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)Nc1ccccc1 720351219 URAGVMARFKKZQD-KRWDZBQOSA-N 256.393 4.741 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CC)[C@@H]1CCCOC1 724014313 MZQDVGOZDKOGCZ-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@H](C)O[C@H](C)C1 724225877 GJVYSZPXHDNWFY-ZSHCYNCHSA-N 268.441 4.900 30 10 CJEE CC(C)CCCCCC1(C#N)C[C@H](C)O[C@@H](C)C1 724229677 FPZUOKWFUHSRCH-GJZGRUSLSA-N 251.414 4.690 30 10 CJEE C=C1CCC(CSc2ccc(CNCC)cc2)CC1 724559193 IGNCJYVQPSXLRY-UHFFFAOYSA-N 275.461 4.635 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@]2(C)CC2(C)C)CC1 724598834 BWVLMRYDXJSSMX-WMZOPIPTSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN[C@H](CCO)C1CCCC1 725084287 DYWJJSSVWDIAOM-GOSISDBHSA-N 283.500 4.658 30 10 CJEE C=CCCCCCCNC(=O)c1sccc1C(C)C 1128844923 NDCBOZDWYMAYQN-UHFFFAOYSA-N 279.449 4.738 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CCc2cccc3cccc1c23 1134133470 VTEWKHGVOMHOHZ-KRWDZBQOSA-N 293.410 4.546 30 10 CJEE C=CCC[C@@H](NCCc1ncc(C)cc1C)c1ccccc1 1168657959 SPXMYUJCHATQFV-HXUWFJFHSA-N 294.442 4.538 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1CCCN1C1CCCCC1 1181275674 DFDWKDRWVNVALQ-MJGOQNOKSA-N 292.511 4.508 30 10 CJEE C=CCCCN(CC)c1cc(C(C)C)nc(C(C)C)n1 1187815933 FFXYNZZWPOSFNL-UHFFFAOYSA-N 275.440 4.516 30 10 CJEE CC#CCN[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1195883679 JKCGEYMMRPESMK-IAGOWNOFSA-N 293.410 4.501 30 10 CJEE C=CCN(C(=O)/C(C)=C/C1CCC(C)CC1)c1ccccc1 1264357505 QYMKYNNBGOPYKH-BMRADRMJSA-N 297.442 4.978 30 10 CJEE C=C(C)CCN1CC(C)(C)c2ccc(Br)cc21 1307936072 DRXQJYFWNNAWJB-UHFFFAOYSA-N 294.236 4.513 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CCC[C@H]2C(C)(C)C)c1 1308433373 KGEHFDQZUNUYQE-QZTJIDSGSA-N 287.447 4.556 30 10 CJEE C=CCN(Cc1cccs1)C[C@H](C)C1CCCCC1 1308657187 QCKIJOHTUSFFPH-HNNXBMFYSA-N 277.477 4.953 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)c1ccc2ccccc2c1 1357567970 SACURUZBVBWJKF-HNNXBMFYSA-N 281.399 4.795 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](CC)C(C)(C)c1ccccc1 1360539417 HKHJYYINUUYOKV-MRXNPFEDSA-N 288.431 4.888 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C)cc2Cl)c1 1439933468 VVDGGIYXNSCOTH-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C=C1CCC(C(=O)N2CCCc3cc(C(C)C)ccc32)CC1 1526481905 VLADQVFGMXWVMD-UHFFFAOYSA-N 297.442 4.836 30 10 CJEE C=CCCCCCCCNC(=O)c1cccc(C)c1Cl 1583104782 ZGDANVVITVRPSS-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C=C(C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C 1586873910 CIEJFKHKEBTGLU-MRXNPFEDSA-N 293.838 4.552 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1587776756 SBFFJQCAZBHHGE-IXDOHACOSA-N 291.479 4.702 30 10 CJEE C=CCC1(C(=O)OCc2cccc(C(C)C)c2)CCCC1 1597034069 VWEREYXBDKWWLL-UHFFFAOYSA-N 286.415 4.990 30 10 CJEE C#CCCCCCCN(CCC)CC1CCCCC1 1615240381 UKUMUVASNKVOQV-UHFFFAOYSA-N 263.469 4.862 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 1620215608 WUMHUYLQIPSFIC-LBPRGKRZSA-N 284.230 4.782 30 10 CJEE C=C(Cl)CN[C@H](CC)c1cccc2ccccc12 1620589091 TWJQYNBLADBXLY-MRXNPFEDSA-N 259.780 4.633 30 10 CJEE C#CCCCCCCN(C)Cc1ccccc1C(F)(F)F 1621221561 BVISYEPGRIGCSK-UHFFFAOYSA-N 297.364 4.721 30 10 CJEE 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283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@@H](COCC1CC1)NC 2207427399 MHTDVDNNPFENEB-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](NCCC)C1(O)CC1 2207431980 KYCMETLVMYIPHL-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](N)CC1CCC1 2207433159 XEKNSYAUQUJODV-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@H](CC)COC 2207434330 FKVRCAHCIFJOIH-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@]1(O)CCC[C@H]1CC 2207434565 DEUJNERTTSSWNF-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](NN)C1(C2CCC2)CC1 2207441840 LMEUZJRGXWXSQY-KRWDZBQOSA-N 278.484 4.705 30 10 CJEE CCCN[C@@](C#N)(CS[C@H](C)C(C)C)C1CCCCC1 2208111692 LZBRSJUPMKHLGR-WBVHZDCISA-N 296.524 4.606 30 10 CJEE C=C(Br)CCn1c(C)cc2cc(Cl)ccc21 2211380528 YBXPABSGKXQLJD-UHFFFAOYSA-N 298.611 4.902 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H](C(F)(F)F)C1 2217688984 MXZHBIHIYLQNKP-JOCQHMNTSA-N 265.363 4.668 30 10 CJEE C=CCCCCCCCCOCC#C[Si](C)(C)C 2218642717 MUDSBLCZAVGBRO-UHFFFAOYSA-N 266.501 4.801 30 10 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DMENWMZVJQTUNH-UHFFFAOYSA-N 291.725 4.646 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CCC[C@H]1C(F)F 2257789306 JAVBOWACIKLGFB-MELADBBJSA-N 261.400 4.746 30 10 CJEE CCC[C@](C)(C#N)CCCCCCCCCCO 2258730927 QCTCDSCPFVGXFU-INIZCTEOSA-N 253.430 4.820 30 10 CJEE C=CCCS[C@@H]1C[C@](C)(CC)CC[C@@H]1NCCC 2259049910 WCOORLZNTDFUOC-ARFHVFGLSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C)C[C@H](NCCC)C1 2259235834 UUCSEMFROQONNE-BBWFWOEESA-N 251.458 4.927 30 10 CJEE COCCCCCCSc1cccc(Cl)c1C#N 2259319407 GYOHVMJVBWHBNB-UHFFFAOYSA-N 283.824 4.511 30 10 CJEE CCCCCCCCOc1cc(Cl)sc1C(=O)O 2259960662 RBBPILXHTNGEJP-UHFFFAOYSA-N 290.812 4.839 30 10 CJEE C=CCCCN(CC)CC1CC(CC(C)(C)C)C1 2261267140 IMWBFRXDGPFRTK-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1ccccc1C#N 2269404687 SPEBLHYMBFRKDY-OAHLLOKOSA-N 259.393 4.790 30 10 CJEE C=CCCCCCCCSC[C@H](NC)[C@@H]1CC1(C)C 2271597663 YICYETULUKQBQR-HOTGVXAUSA-N 283.525 4.880 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc([C@@H]2C[C@H]2C)o1 2271748545 VNGYERCUWIPRMV-KFWWJZLASA-N 261.409 4.800 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1 2271833447 PVQGXRYZYPMRNQ-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCN(CC)[C@@H](CC)c1ccncc1 2271835460 UPAZUJYFFUNPHI-KRWDZBQOSA-N 260.425 4.601 30 10 CJEE COCCCCCCSC[C@@H](CS)c1ccccc1 2271885064 CXLZUYQHBZNQJM-MRXNPFEDSA-N 298.517 4.640 30 10 CJEE CSCC1(C[C@@]2(C=O)CCCC[C@H]2C)CC(F)(F)C1 2273940732 PRXAETVODQWMPD-TZMCWYRMSA-N 290.419 4.550 30 10 CJEE C=CCC(C)(C)CNCc1cccc(C(C)(C)C)c1 2274504757 QTLYVZQPHCJIQX-UHFFFAOYSA-N 259.437 4.676 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C1CC(C)C1 2276555752 PBGXEIKCHSFRMC-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@@H](C)[C@@H](C)C1 2276760816 FIHLCZZBXGWAGC-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C1CCCC1 2276828495 VAXXNLPVLZKWML-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCC[C@H](CC)C[S@@](=N)(=O)[C@H](C)CC(C)(C)C#N 2278253796 UOEJKMPMVZERRS-BIENJYKASA-N 286.485 4.578 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc2ncsc2c1 2278466169 KLPMWLNLDNYEMI-MRXNPFEDSA-N 277.433 4.864 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(CO)ccc1C 2278712167 DVMYLPWHCHAWHE-OAHLLOKOSA-N 263.425 4.648 30 10 CJEE Cc1ccc(NCC[C@H]2CCCCC23CC3)c(C#N)c1 2279739085 HRKTUISZGAWYRD-MRXNPFEDSA-N 268.404 4.639 30 10 CJEE CCCCCCCCCCNC(=O)[C@@H]1CCC12CCC2 2280847476 ZWNQULCVBPSWPL-INIZCTEOSA-N 279.468 4.824 30 10 CJEE N#C[C@@]1(CC[C@@H]2CCCC23CC3)CCOC12CCCC2 2281334592 XKTMLNOOKGXWRI-DOTOQJQBSA-N 273.420 4.590 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Cl)ccc1OC 2283299379 MBMNKUZOMAULHE-ZDUSSCGKSA-N 295.854 4.992 30 10 CJEE CCCc1ccc([C@@H](CC#CC(C)(C)C)NCC)cc1 2283479283 HQXUPYNEVPXQEF-GOSISDBHSA-N 271.448 4.729 30 10 CJEE C=CCCSCc1cc([C@@H](C)NCCC)ccc1OC 2287181859 LSXVTCHEZOTRSK-CQSZACIVSA-N 293.476 4.565 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@](C)(CC)N(CC)CC 2287412778 FZTXISMWLUZKFO-ROUUACIJSA-N 282.516 4.612 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2cnccc2c1 2287413047 HNSURLNVYPZURZ-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=C(CC)C[C@]1(OCC(=O)O)CCC[C@H](CCC)CC1 2291151924 FRHGXVHEEFNDLL-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCN)CCC[C@H]1C 2292786184 BXEOZRAFFBKAEX-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)C1CC1)OCCCN 2292916228 OHHNBOGQYKUBHB-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CCC[C@](C)(C[C@H]1CCC=CCCC1)OCCCN 2293161117 ALSRIEQCAWWEND-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@H]1CCCC[C@H]1CC 2293916638 UTOSGHXUNRJGOH-MHORFTMASA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCC(C)(C)CC1 2294034328 YMBLYZSROKPATE-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@](C)(OC1CCCC1)C(=O)O 2295586147 URBUAAOVRABJNU-KRWDZBQOSA-N 284.440 4.930 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1cnc(C)s1 2295595817 CVJCCYUXWKRCBB-MRXNPFEDSA-N 297.464 4.526 30 10 CJEE O=C(C=CSC=CC(=O)c1ccccc1)c1ccccc1 2297562868 NSBJBEHHGKXENY-UHFFFAOYSA-N 294.375 4.513 30 10 CJEE C#CCCCCC=CCCCCCCCC(=O)O 2297732038 GICMJXPKCLXTLV-UHFFFAOYSA-N 250.382 4.552 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)c(C)c1 2304029046 SYRSTDQJMQRVJB-AWEZNQCLSA-N 251.801 4.511 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(F)cccc1Br 2304057189 BVJQWLUSEFSAFJ-CQSZACIVSA-N 299.183 4.763 30 10 CJEE CCC[C@@H](CC)COc1cc(Br)ccc1C#N 2307752151 OJXHJMZJQDPHMM-LLVKDONJSA-N 296.208 4.526 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(F)F 2308736911 UYULIZOLGAWNMZ-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](CC)NCC)cc1 2313689499 PSKFFQSABBFIQW-XJKSGUPXSA-N 263.450 4.804 30 10 CJEE CC1CCC(CSc2cc(C#N)cc(Cl)n2)CC1 2313708287 YLCHOHLTYRHIDL-UHFFFAOYSA-N 280.824 4.525 30 10 CJEE Cc1c(C[C@@]2(C=O)CCC[C@@H]2C)ccc(Cl)c1Cl 2316689853 DYXLZIGQADSZLH-ZUZCIYMTSA-N 285.214 4.850 30 10 CJEE CC(C)[C@H](C)[C@@H](C)OCC1(CS)CCCCCC1 2317635771 IKVVHRQZDDJSBC-LSDHHAIUSA-N 272.498 4.954 30 10 CJEE C=C(C)C[C@H](C[C@H](CC)CC(F)(F)F)NCCC 2319289785 YANJQAZAHMYMPG-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CCC(C)(C)C(=O)CCCCCOC(C)(C)C 2321177159 MAUWMWDRTHFXON-UHFFFAOYSA-N 254.414 4.533 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc2ccsc2c1 2321235787 YUKXRXAWWVSILM-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@@H]1CCC(C)(C)C1)NCC 2321604608 DJFOZWHHUMQXNW-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NCCCCC#N)c1Cl 2327860359 NYYAWVZWFVWMDQ-NSHDSACASA-N 285.218 4.646 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1CC2(F)F 2329117652 YHLIQMPCNRINGF-KKUMJFAQSA-N 274.395 4.923 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2332700802 QBGMAYGBNWXXSO-DZJNRPSUSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1CC2(F)F 2333706565 QIVJQEVXIFNSCC-SOUVJXGZSA-N 272.379 4.699 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CCC(CC)CC 2338167675 YQEMRFVPPCQOJG-INIZCTEOSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CC=C(C)CC 2338537205 ZNCYPLMBGAQKFJ-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=CCC(CC=C)[C@H](NC)C(CC)(CC)C(F)(F)F 2338733798 WADFTZMSVBRJRL-ZDUSSCGKSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C(C)(C)CC(F)(F)F 2338743590 GXYLEOBENQWQFD-ZDUSSCGKSA-N 277.374 4.712 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(F)cc1C1CC1 2339207578 QGWHLPLAJRMRTM-PXAZEXFGSA-N 261.384 4.566 30 10 CJEE C=CC[C@H](NCC)[C@@H](c1ccccc1)C1CCCC1 2342353010 FXHHMDOPPXUORE-ROUUACIJSA-N 257.421 4.515 30 10 CJEE CC1=C(C)C[C@H](COCCCCC(C)(C)C#N)CC1 2343292416 ITRRUYGQGRTDGO-MRXNPFEDSA-N 263.425 4.860 30 10 CJEE CC1=C(C)C[C@H](CC2(C#N)C[C@@H](C)O[C@H](C)C2)CC1 2343384060 KXKXWRDWOUECKA-BZUAXINKSA-N 261.409 4.610 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc2cnsc12 2344338676 BNUBVAAWRVHLNF-DOMZBBRYSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC(F)(F)c1ccccc1 2344375527 NOHWDQFEOGHMCZ-OAHLLOKOSA-N 266.331 4.730 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC2(C1)CC21CC1)NC 2344386741 YPEGSMSYNRTCTM-NDUQDZPOSA-N 261.453 4.537 30 10 CJEE C#CCCCCCCCOCc1cc(C)nc(Cl)c1 2353125779 BJEXZLLFIDRRBW-UHFFFAOYSA-N 279.811 4.534 30 10 CJEE C#CC[C@H](CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1 2357478915 AYPCWJPOMIRLFN-OWSLCNJRSA-N 272.432 4.602 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136511 GVGYMOSDWYDROJ-CUSZFKRNSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H]1C[C@H]1CC 2360180166 TWEVEHAMDCMOGQ-OWSLCNJRSA-N 283.500 4.642 30 10 CJEE CCc1cccc(CC)c1Nc1ccc(C#N)cc1F 36886466 MGELBEGASNEQHH-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CCC1CCC(Nc2ccc(C(C)(C)C#N)cc2)CC1 36922190 CASIQUIPPAGFRC-UHFFFAOYSA-N 270.420 4.868 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(C#N)Nc1cccc(F)c1 37936961 FJILLIYWUUKNIN-WBVHZDCISA-N 274.383 4.736 30 10 CJEE Cc1ccc([C@H](C#N)Nc2cccc(Cl)c2)cc1C 37937390 VLUOWIXGSJRXQE-INIZCTEOSA-N 270.763 4.634 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cc2ccccc2cc1O 52859010 ZTRGENJRZIEOPZ-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N\c3cccc(Cl)c3)N2)C1 53099172 YTEYYNWDXMUYOB-IAQYHMDHSA-N 294.851 4.613 30 10 CJEE CCCCc1ccc(N[C@H]2CCCC[C@H]2C#N)cc1 54824980 ROFIFYCRSNGTMB-RDJZCZTQSA-N 256.393 4.523 30 10 CJEE CCCCCCCOc1ccc(C)cc1[C@@H](C)NC 59295519 RTOPEQITKLYXJW-OAHLLOKOSA-N 263.425 4.625 30 10 CJEE CCCCCCCCNc1ccc(C(=O)OC)cc1C 59462154 LBAMXZXSYHLGMN-UHFFFAOYSA-N 277.408 4.554 30 10 CJEE N#Cc1ccc(Nc2ccccc2OC(F)F)c(Cl)c1 62793627 NEPYQVKTBIHVJV-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc2ncccc2c1 69502985 HJNACQZJSZYZIL-KRWDZBQOSA-N 293.757 4.565 30 10 CJEE CCCOc1cccc(-c2cc(C#N)c(CCC)o2)c1 77081404 XWZOYTJJHUQMTC-UHFFFAOYSA-N 269.344 4.560 30 10 CJEE CC1(C)CCC(Nc2ccc(Cl)cc2C#N)CC1 79679325 LFHBJXBWXOLYMQ-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CCc1cccc(CC)c1NC[C@H](C#N)c1ccccc1 80785089 COKAPRZZWGJCQQ-SFHVURJKSA-N 278.399 4.531 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@@H]1C(=O)O 82114407 ZFEKMHBOVBEKAD-QGZVFWFLSA-N 297.483 4.846 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)C2CCC(C)CC2)CC1 91903896 HRAYMCFHQPHINF-LESVLKBLSA-N 277.452 4.674 30 10 CJEE CCOc1cc(C)c(Cl)c(C)c1[C@H](C)CCS 107623154 CGTPAYBOCOBDSS-SECBINFHSA-N 272.841 4.779 30 10 CJEE CC(C)C1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 109772219 QEDKATYVMNCPOC-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264114 JNJDICNXPIFPFQ-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE CCCCCCCC(=O)Cc1c(F)cccc1Cl 110462727 JEUXEEXWYQOVIE-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccccc1Cl 114871757 SCKXMAFXEQPYQF-OAHLLOKOSA-N 254.801 4.908 30 10 CJEE CCCCCCCCOc1nc(Br)cs1 118041136 LOANMBYVEBJHRT-UHFFFAOYSA-N 292.242 4.645 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1cccc(SC)c1C#N 127076064 OUJXFGKOEWZGRF-RYUDHWBXSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](NC(C)C)C1 129474110 NSYXYNZAKKXAKN-GOSISDBHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cccnc1 131351035 MZUADZQAIZPPPS-QGZVFWFLSA-N 277.456 4.507 30 10 CJEE CCCCC[C@](C)(C#N)Nc1ccccc1Cl 132730023 MXMOPOLGHMEBGJ-CQSZACIVSA-N 250.773 4.614 30 10 CJEE C=CC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 133346155 QQQSGHZUJLCTRW-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1OCCc2ccccc21 139561045 DNTYQBUJHXJXJO-OALUTQOASA-N 289.463 4.639 30 10 CJEE CCCCCCC[C@H](N)c1c(F)ccc(C)c1F 158181681 WODXUAGMCHYRJS-ZDUSSCGKSA-N 255.352 4.634 30 10 CJEE CCCCCCCCNc1cc(NCC)nc(C(C)C)n1 159050267 QOJFHQIRPNSGTC-UHFFFAOYSA-N 292.471 4.804 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)C 189906759 DSUOTXTTXFZNTF-AWEZNQCLSA-N 273.420 4.769 30 10 CJEE SC/C=C\CN1c2ccccc2Sc2ccccc21 211602761 GWJAKSANYUDFDS-WAYWQWQTSA-N 285.437 4.775 30 10 CJEE CCCCC#CCN(Cc1ccccc1)Cc1ccccc1 215534827 CBDCVQUZAHLCGE-UHFFFAOYSA-N 291.438 4.882 30 10 CJEE CCCCCCCCCCC(=O)N(O)C(C)(C)C 218534433 RLYSHKIIAXMOQM-UHFFFAOYSA-N 257.418 4.534 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1cccc(C#N)c1 227634903 XRSOWJDSMWBSON-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C=C(C)CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCC 229779818 CGINIZVGXUVNOE-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OC2CC2)c1 230013838 MFYQRDUWKZJFBJ-KRWDZBQOSA-N 262.393 4.622 30 10 CJEE C=CCCCCC[C@@H](NN)C1CCC(C(C)(C)C)CC1 232569058 DCSFYPNZXRYLTP-OFLPRAFFSA-N 280.500 4.807 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(Cl)c(F)c1 233163143 BNNPCDFBRFNUPT-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)c(F)c2)C1 234111386 GNGJMRNWYZYMGH-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C=CCCCCCNc1c(Cl)ccc2nsnc12 236048675 VDGIOHYGSSPEPB-UHFFFAOYSA-N 281.812 4.503 30 10 CJEE N#Cc1ccc(F)cc1CNc1ccc(Cl)c(Cl)c1 236192096 ICHCZNFOMJSNFC-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc2ncccc12 236393988 FVOOQMTWOKHGAS-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCCCCC[C@@H](O)c1ccccc1Br 236550118 WFUCRWJKNLNJLH-CQSZACIVSA-N 283.209 4.619 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC(C)C 252752088 HBXVCFPRRJCIIP-QRVBRYPASA-N 277.496 4.868 30 10 CJEE C(=NNc1ccccc1)c1ccc(Oc2ccccc2)cc1 254557632 KZJIQXZYNPOUIZ-UHFFFAOYSA-N 288.350 4.925 30 10 CJEE COc1c(C(C)(F)F)ccc(C)c1[C@H](CC#N)C1CC1 260272690 BXZXZVNMTBSHOJ-GFCCVEGCSA-N 279.330 4.523 30 10 CJEE C[C@@H](CCC(C)(C)C)Nc1ccc(C#N)cc1Cl 310818240 CNCMPRSTGIVWGC-NSHDSACASA-N 264.800 4.838 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cccc(Cl)c21 311106160 VIJLQFUZEFMEQA-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE C[C@H]1CCC[C@@](C#N)(c2ccccc2C(F)(F)F)C1 311350823 NUUGVNITVHXJFE-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE CC(C)C1CCC(C=O)(Cc2cccc(F)c2F)CC1 316622374 BENDQIVHEBEQQT-UHFFFAOYSA-N 280.358 4.539 30 10 CJEE N#Cc1ccc(OCC/C=C\c2ccccc2)c(Cl)c1 323710112 MNCDHQBDXRJUKS-YWEYNIOJSA-N 283.758 4.694 30 10 CJEE CCCCCCCCCCNC[C@H]1CCC[C@@H](CO)C1 380183395 CUTGBNIGASOYBO-ZWKOTPCHSA-N 283.500 4.515 30 10 CJEE C=CCCCCNC1c2ccccc2-c2ccccc21 380471807 JBOABVPUJAOSJB-UHFFFAOYSA-N 263.384 4.702 30 10 CJEE C[C@@](C#N)(Nc1ccc(Cl)cc1)[C@H]1CC2CCC1CC2 381789160 AUEIJOPTYOJRFI-SMELUJQZSA-N 288.822 4.860 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2nccc3ccsc23)C1 388789450 NZBAVHQKSHCHST-MLGOLLRUSA-N 270.401 4.658 30 10 CJEE N#C[C@H](CNc1cccc2ccccc12)C1CCCC1 397223338 QIRGDIYHYFCLSB-MRXNPFEDSA-N 264.372 4.582 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1CCOC1)NC 400944122 CJQORUFLRVPRPQ-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(c1cnc2ccccc2c1)C(C)C 448456784 MQSGYJGXUVAUME-HNNXBMFYSA-N 296.414 4.579 30 10 CJEE Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 512666600 LIGDCVMOGPCYFB-LSDHHAIUSA-N 296.389 4.726 30 10 CJEE Cc1[nH]c2c(C)c(Cl)ccc2c1C(C)(C)CC#N 527404455 IBOOUJKHDYEMPN-UHFFFAOYSA-N 260.768 4.629 30 10 CJEE C#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 606302205 IIOLOUJFFQFJQU-UHFFFAOYSA-N 271.319 4.522 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(C)c(Cl)c1 686708576 JBSYLORWOWIKEE-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@]1(C)CCOC1 687420048 UVEVTGDTWVCKIX-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1 692275803 PHOLUILVIAQKOO-TVFCKZIOSA-N 261.453 4.680 30 10 CJEE Cc1cc(Cl)cnc1C1(C#N)CCC(C(C)C)CC1 695246475 RBKAXADTNJMAHM-UHFFFAOYSA-N 276.811 4.651 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(OC)cc3C)C[C@@H](C1)C2 697305884 BBUDBNQXAPHRCD-XYPWUTKMSA-N 271.404 4.550 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cccnn1 701805858 NKHOOLXILXSJMJ-QGZVFWFLSA-N 278.440 4.821 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2cncc(Cl)c2)CC1 703628201 BWWSNBYATUNBSC-UHFFFAOYSA-N 293.838 4.699 30 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4.894 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@H](C)C1)NCCC 2321142679 YHGXLXYNTLHGHY-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cccc(F)c1Cl 2321143842 DBKYIASHOXKFNV-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE CCCCCCCCC[C@@H](F)[C@@H]1CC2(CC2)CN1 2321267078 BEKOONPQZHIHMH-CABCVRRESA-N 255.421 4.607 30 10 CJEE C=CCCCCCCNCC[C@@H]1CCC(C)(C)C1 2321612592 CJPAMMKXWCMPRS-INIZCTEOSA-N 251.458 4.929 30 10 CJEE C#CC(C)(C)C[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327872339 HLSCDOTYNCSTTH-ZDUSSCGKSA-N 284.230 4.612 30 10 CJEE Clc1ccccc1CON=C(c1cccs1)C1CC1 2330347334 UGKQVNQQRRWHMD-UHFFFAOYSA-N 291.803 4.732 30 10 CJEE C[C@H]1CCC[C@]1(C=O)C[C@@H]1C[C@H]1C1CCCCCC1 2332786996 JLMAMRAGXPYIAN-LEUOFYLZSA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CC[C@H]1C(F)(F)F 2333452896 DOOKDCGFKRNSCC-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@H]1OC[C@@H]2CCCC[C@@H]21 2333564556 IYFTXLLRFCESKO-NXOAAHMSSA-N 263.425 4.692 30 10 CJEE C=CCC(CC=C)Nc1ncc(C(F)(F)F)cc1Cl 2335202404 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C[C@H]1CCC[C@](C#N)(Cc2ccc(Br)s2)C1 83776088 VKIGPCGGPOVVES-GXFFZTMASA-N 298.249 4.773 30 10 CJEE C=C(C)Cn1cc(CN[C@H](C)CC)c2c(Cl)cccc21 84842306 YEIXEBIQHADFKQ-CYBMUJFWSA-N 290.838 4.759 30 10 CJEE CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86941820 YUVCNTRNXADADW-WDYCEAGBSA-N 284.447 4.814 30 10 CJEE SCCCCCCOc1c(Cl)cccc1Cl 87080693 OLFWLOYSEQWQNE-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)C1CCCCCC1 89561069 PWWBXVOKOQFSOT-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)s1 91882222 SQKKBBDEFXDQLJ-GULBITTBSA-N 291.460 4.836 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)c1c(Cl)cccc1Cl 93955716 OKVXOLPGRSKQBI-NOZJJQNGSA-N 254.160 4.575 30 10 CJEE CCCC(CS)(CCC)CN(CC)C1CCCC1 94579051 LELJSEBVLPYEOP-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE CC(C)(C)[C@H]1CCCN(C[C@@H](CS)C(C)(C)C)CC1 94581613 YTSKANDAGMQIMY-GJZGRUSLSA-N 285.541 4.727 30 10 CJEE C=C(CC)C[C@H](CCCc1cccs1)NCCC 97283900 UMPLIWUFSDDKNK-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE C#CC[C@@H](CC)c1cc(C)c(C)cc1Br 107479863 AHQIMUJMLXKDSX-GFCCVEGCSA-N 265.194 4.583 30 10 CJEE CCc1cccc(CC)c1N[C@@H]1CCCCC[C@H]1C#N 110168380 PGWFPTSBOJBHLE-DLBZAZTESA-N 270.420 4.696 30 10 CJEE C[C@@H](C#N)CSc1ccccc1NCc1ccccc1 111188137 ZNMVCKNBOFCDNR-AWEZNQCLSA-N 282.412 4.550 30 10 CJEE CCCCCCCCC[C@H](CN)Cc1ccccc1 111819845 OBRGHWUXTLIOHM-SFHVURJKSA-N 261.453 4.945 30 10 CJEE CCCCCCCCC[C@@H](N)C1Cc2ccccc2C1 115846154 QPDLUFOSWDAPMY-LJQANCHMSA-N 273.464 4.869 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)cc(F)c1 122616803 LHABMIZCRGMVDY-INIZCTEOSA-N 251.389 4.755 30 10 CJEE CCCCCCCCCC(=O)Nc1c(C)cc(N)cc1C 124698799 KFBDTZXMGYGJMX-UHFFFAOYSA-N 290.451 4.965 30 10 CJEE CCCCCCCCOCc1ccc([C@H](C)C(=O)O)cc1 125425898 LBKZFZPAHDVMRJ-HNNXBMFYSA-N 292.419 4.752 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H](N)CC 125694833 IVPBLZMAJZMENB-INIZCTEOSA-N 269.473 4.994 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2c(s1)CCSC2 125796610 RAMIIPBCQIVMJX-CYBMUJFWSA-N 281.490 4.544 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1cnn(C)c1 126149548 IRFQRMSGQBUCDT-QGZVFWFLSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C 126894112 AXWKMFLQUSCIDR-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCSc1cccc(N[C@@H](C)c2ccsc2)c1C#N 127046496 VYWILQWRIQDQLE-NSHDSACASA-N 288.441 4.905 30 10 CJEE Cc1ccc([C@@](C)(O)C2(C#N)CCCCCCC2)s1 127276835 PJTDUNAAUULIMW-OAHLLOKOSA-N 277.433 4.518 30 10 CJEE CCCCCCC[C@H](CN)N(CC(C)C)C1CCCC1 129630368 DJPYNFQPIAYQBB-GOSISDBHSA-N 282.516 4.575 30 10 CJEE CCCCc1ccc(OC[C@@H](CS)CCC)cc1 130407509 RBIRCLBCLIFELR-HNNXBMFYSA-N 266.450 4.754 30 10 CJEE CSc1cccc(N[C@@H](C)c2cc(C)oc2C)c1C#N 130542346 DTYZCRQNGYNAOH-NSHDSACASA-N 286.400 4.663 30 10 CJEE CSc1cccc(N[C@@H]2CCCCC2(C)C)c1C#N 136681686 YGGSVQQAERHXJO-OAHLLOKOSA-N 274.433 4.661 30 10 CJEE CSc1cccc(Oc2c(C)ccc(C)c2C)c1C#N 136711744 SSRXVXYSZBOWHE-UHFFFAOYSA-N 283.396 4.998 30 10 CJEE CCCCCCCCn1c(C2CC2)nc2cc(N)ccc21 147356637 HPUUAVFEPYULQK-UHFFFAOYSA-N 285.435 4.856 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(OCC)OCC 147565701 WCOPSZMILSUXGV-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(OC)c(F)c1)NC 157245833 ITSVFBOJPZHNFT-MRXNPFEDSA-N 295.442 4.715 30 10 CJEE CCCCCCCCCC[C@](C)(F)C[C@H]1COCCN1 157571499 UZLKHEUBGUBPEA-IRXDYDNUSA-N 287.463 4.624 30 10 CJEE CCCCCCCC[C@H](NCC)C1[C@H]2CCC[C@H]12 159087756 UJDZVEBEQJFEFB-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE CCCCCCCOc1ccc(C=O)c(C(F)(F)F)c1 167225080 IIHLMCKMQSSSRE-UHFFFAOYSA-N 288.309 4.867 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](OC)c1ccccc1 167745919 DPIDHBMDJBFWGG-ZWKOTPCHSA-N 277.452 4.713 30 10 CJEE C=C(CC)CC(=O)c1cccc(Br)c1Cl 169208811 RMCNSHQSVHKUMG-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C1CC1 189883925 RPYVIAJCTPRQGZ-SJORKVTESA-N 283.415 4.523 30 10 CJEE C=C(c1ccc(Br)cc1)C1CCCC1 203777608 FXVWTIJQMJKUEU-UHFFFAOYSA-N 251.167 4.653 30 10 CJEE CC(C)CCCCCCN[C@H]1CCCCC[C@@H]1C#N 232540727 ULTFRVLQCCOXEW-SJORKVTESA-N 264.457 4.655 30 10 CJEE CCCCCCCCCOc1cccc(F)c1C(=O)O 232955147 RHNVUZMNOOFQLK-UHFFFAOYSA-N 282.355 4.653 30 10 CJEE 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30 10 CJEE CCCCCCCCCCO[C@@H]1CNCC2(CCC2)C1 2176189735 HVJHOIUHVVACRM-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC1CC(CC)C1)NC 2176807200 OMPHEVTVTOEUIG-HIEASXQVSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCN1[C@H](CN)CCC[C@H]1CC 2178462621 KDIVEAMKRCBMGL-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE C=CCCCC[C@H](NCCC)c1cccc(COC)c1 2179683671 WRGPKKNTWJFQPO-SFHVURJKSA-N 275.436 4.620 30 10 CJEE CCC1CCC(CNc2cc(Cl)c(F)cc2C#N)CC1 2184451386 FALHJJBMXZNSII-UHFFFAOYSA-N 294.801 4.979 30 10 CJEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1cccc(F)c1 2184460085 LWRLYYJFMOHPGY-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=CCC(C)(C)Oc1ccc([C@@H](C)NCCC)cc1F 2187291455 FPVKDUVAWDJJCO-CYBMUJFWSA-N 279.399 4.620 30 10 CJEE CC(C)(C)NC[C@@]1(CC#C[Si](C)(C)C)CCC12CCC2 2187481619 YAOYTFGBDVLRHV-GOSISDBHSA-N 291.555 4.596 30 10 CJEE C=CC1(CN[C@H]2c3ccccc3CC2(C)C)CCCC1 2189510175 YUFSOEDNQCKCEE-KRWDZBQOSA-N 269.432 4.646 30 10 CJEE C=CC1(CNCc2nc(C)c(C(C)(C)C)s2)CCCC1 2189514729 LUMFJRKDRMIMLY-UHFFFAOYSA-N 292.492 4.585 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165978589 KBUOMJXVSDQJKT-WDSOQIARSA-N 271.448 4.598 30 10 CJEE Cc1ccc(-c2cnc(C#Cc3ccccc3)s2)cc1 196640391 MAWJCKJYWHYOJM-UHFFFAOYSA-N 275.376 4.518 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CC2CCCCC2)C1 222797315 ZGGOVHWMTRUVDT-NJAFHUGGSA-N 276.468 4.607 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC2(C)C)C1 222808867 IPDZWNVNTLDCHX-OAGGEKHMSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCC(=O)[C@@H]1CCCOC1 225433099 IGMHKDRSSDQLTA-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)c1cc(F)cc(C#N)c1 227616990 JNARKBLSHNCLGB-NSHDSACASA-N 288.753 4.548 30 10 CJEE C#CCCCCN[C@H](CC)c1ccc(Cl)cc1Cl 229642533 AXJOIBJIDUCNPR-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CC(C)C[C@@H]1CCC[C@](C#N)(Nc2ccccc2F)C1 230779506 YJICBBRHSPQKKR-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE Cc1cc2oc(C#N)c(C(C)C)c2c(C)c1Br 232862897 ABUVQJJHCYPOLB-UHFFFAOYSA-N 292.176 4.807 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](OCC)C(C)C 233124490 ASYDONUZYHNDAB-DLBZAZTESA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@@H](O)C1(OCC)CCCCCC1 233708788 HDZVRAXGPRCATD-MRXNPFEDSA-N 268.441 4.613 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(C)c2C#N)cc1C 235537814 SGUKNVZSUPENCJ-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE N#Cc1ccnc(Nc2cccc(Cl)c2Cl)c1Cl 236056962 FTXIDNWANDRWPH-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@H]1CCC 250844845 ZRFIDCQMWNWPAQ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CC[C@H](C)Oc1cccc(N[C@H]2CCCCC[C@H]2C#N)c1 251367946 QFGPMADAUDZQFK-MPGHIAIKSA-N 286.419 4.748 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1[C@H]2CCC[C@H]21 253014758 AANUVQOAYFYJNH-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(C)cc(C#N)c2)CC1 308116334 YXWBFIBDTPHEGD-GOEBONIOSA-N 256.393 4.638 30 10 CJEE C=C[C@](C)(CCCOCc1ccccc1)CNC(C)(C)C 309981870 VIKMNHOPULNUNC-LJQANCHMSA-N 289.463 4.564 30 10 CJEE C=CCCCCCCNc1cccc(Cl)c1C(=O)O 312073053 OQIFFENBKLGJDS-UHFFFAOYSA-N 281.783 4.587 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)CSc1ccccc1C 312227674 IQPBYDCJZTYVDP-MRXNPFEDSA-N 289.488 4.505 30 10 CJEE N#CC1(c2nccc3ccccc23)CCCCCCC1 312496910 XEDOMKPQEUKQJE-UHFFFAOYSA-N 264.372 4.740 30 10 CJEE CCCCCCCCCCCC[C@@]1(C=O)CCOC1 317503047 GOPJQLBXMXNRRP-KRWDZBQOSA-N 268.441 4.903 30 10 CJEE C=CCCCCC[C@H](NCC)C(C)(C)C1CCC1 322510110 QDJWBLDVGVADSH-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C[C@@H](NCC#CC(C)(C)C)c1ccc(Cl)cc1Cl 380718393 GHGFVALEGHOKJA-LLVKDONJSA-N 284.230 4.694 30 10 CJEE CCCCCCCCCNCc1cc(C)cs1 383234732 NRXASFPMHNZLPG-UHFFFAOYSA-N 253.455 4.897 30 10 CJEE C=C([C@H](NCCC)C(C1CCC1)C1CCC1)C(F)(F)F 383608984 XKOPLFUMRUDTTA-HNNXBMFYSA-N 289.385 4.690 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1sccc1Cl 387205343 QUASNAZKALKSBH-LLVKDONJSA-N 271.857 4.524 30 10 CJEE C=C(COCCC)[C@@H](NCCC)[C@@H]1CCCCC1(C)C 387541652 PEDQZDZNRRWARN-DLBZAZTESA-N 281.484 4.554 30 10 CJEE C=CCCC[C@H](C)N[C@@H](c1ccc(F)cc1)C1CC1 398155806 GGRHFQHKGCMLDF-SUMWQHHRSA-N 261.384 4.611 30 10 CJEE CCCCCCCCCCNCCc1cccc(C)n1 399947896 UUBKLMOPWVUDKH-UHFFFAOYSA-N 276.468 4.663 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1cc(C#N)ccc1Cl 401431706 YBEJJSHQPSCVGM-UONOGXRCSA-N 276.811 4.840 30 10 CJEE C=CCCCO[C@H]1CCCCCCCCCC[C@H]1O 402285841 LSGGJSKGWSVJDS-SJORKVTESA-N 268.441 4.613 30 10 CJEE CC[C@H](Oc1cccc(SC)c1C#N)c1ccccc1 403074491 HGKRFBYEDBMMBM-HNNXBMFYSA-N 283.396 4.810 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@@H](N)CO[C@@H]1C 405887675 WRNGZBBPLRYTDX-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CC/C=C\C(=O)c1cc(C(F)(F)F)ccc1Cl 406044826 WTSBPLDPQOKKAA-ARJAWSKDSA-N 262.658 4.508 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 466436755 QETDTXFFYNQGJQ-LNLFQRSKSA-N 299.458 4.631 30 10 CJEE C#CCCCCC[C@@H](CCC1CCCC1)NCCC 686695720 OHYFEEJFTQRUNX-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CCCCCCN[C@@H](C)C1CCC(F)(F)CC1 690759708 BUFZNFUSCKKMGS-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE CCCCCCCCCCN(CC(=O)O)CC(C)(C)C 692082654 NHXCZVLQTRAHOU-UHFFFAOYSA-N 285.472 4.560 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](C)Oc1ccccc1 700667712 YCZOBAZNFXUMAF-AEFFLSMTSA-N 275.436 4.569 30 10 CJEE CC1(C)C[C@@]1(C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 702173894 YVEBETMICHIISM-BMIGLBTASA-N 296.197 4.606 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@H](OC)C12CCC2 707491300 BPWIZEZAWSSAGK-FUHWJXTLSA-N 281.484 4.804 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H](CCC)C1 708406615 KVLAIHWEGOGIIU-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 709103178 BNMCHHCMZBPXNC-FZMZJTMJSA-N 277.795 4.589 30 10 CJEE C[C@H](COc1cccc(Cl)c1C#N)CC(C)(C)C 709232565 DCZSCQJEWCAOIZ-NSHDSACASA-N 265.784 4.663 30 10 CJEE CCC(=NO)c1ccccc1OC[C@H](C)CC(C)(C)C 709235499 NUDFFROZPKZQNB-CYBMUJFWSA-N 277.408 4.726 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]21 712381239 ACUYCXXIVVBOQY-LTIDMASMSA-N 251.458 4.904 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc2sccc2c1 715718720 GULPOJDNSQNCMR-WBMJQRKESA-N 259.418 4.764 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(C)cccc1Br 715723037 XKMNQSGYLCPWSL-IUODEOHRSA-N 296.252 4.620 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@@H](C)CC2CCCCC2)N1 716891778 MEDZZNNUDCBGRW-KCQAQPDRSA-N 282.497 4.595 30 10 CJEE C=CCCCCCCNC[C@@H](C)COCc1ccccc1 719524445 RPJOPNHOGQZALT-GOSISDBHSA-N 289.463 4.565 30 10 CJEE CCSc1cccc(N2CC[C@@H](C)C[C@H](C)C2)c1C#N 723837323 GERQHXPLNAXASJ-KGLIPLIRSA-N 288.460 4.543 30 10 CJEE CSc1cccc(N[C@H](C2CCCC2)C2CC2)c1C#N 723862090 IINJPPVJMFNYBY-QGZVFWFLSA-N 286.444 4.661 30 10 CJEE C=C1CCC(CN[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 724440849 LBMBJSVKMZRAHS-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(Cl)c2F)CC1 724541962 GWUMZLPSOZOEGG-AWEZNQCLSA-N 268.759 4.649 30 10 CJEE C=C1CCC(CC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2N)CC1 724589258 DKYPGAFWXXETLR-DJIMGWMZSA-N 263.469 4.913 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 724595126 MMHVTIKQEVKTLQ-ZACQAIPSSA-N 250.426 4.556 30 10 CJEE CCc1ccccc1N=C1N[C@@H](C2CCCC2)CCS1 725072627 VAKNYOTZXPYDHL-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE C=CC(C)(C)CC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 880434366 AVIKFCRQSHGYCB-GOSISDBHSA-N 295.426 4.509 30 10 CJEE C=CCCC1(CNC(=O)C2(CC=C)CCCC2)CCCC1 1131111319 FKUDCCBLJVLESK-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc(SC)cc2)C1 1181154142 LHHSXLBYRFSWKU-YCPHGPKFSA-N 275.461 4.804 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(C(CC)CC)c1CC 1181382526 IDSICGMLTFVSJC-CYBMUJFWSA-N 263.429 4.573 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 1192709832 NSDZSNKPGRGFEX-INIZCTEOSA-N 295.426 4.979 30 10 CJEE C=CCCCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 1193575824 WESCBYIGVIKVTJ-QGZVFWFLSA-N 279.374 4.918 30 10 CJEE C=CCC1(NC(=O)c2cc(C)c(CC)s2)CCCCC1 1272726588 XDLSXGVLTUPXPF-UHFFFAOYSA-N 291.460 4.628 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)C2CCCCC2)CCCC1 1279399421 FQCYNLMCJPLJBA-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H](CCC)CCCC)C1 1308309685 RZKNBEDPQSXOEP-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CCc1ccc(OC(=O)CCCCCCC)c(OC)c1 1348599894 GLRQUVCOSPQFMH-UHFFFAOYSA-N 290.403 4.690 30 10 CJEE C=CCC1(C(=O)OCc2ccccc2Cl)CCCC1 1353129816 CFFGQFXIPSUTKS-UHFFFAOYSA-N 278.779 4.520 30 10 CJEE C=CCCCN1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 1460640883 VEVQMPFJZZHJKU-KRWDZBQOSA-N 295.829 4.842 30 10 CJEE C=C[C@@H](CC)CC(=O)NC(C)(C)c1ccc2ccccc2c1 1461934892 KGTFNQQDQADZAT-HNNXBMFYSA-N 295.426 4.793 30 10 CJEE C=CCCCN(CC)C(=O)/C(C)=C/C1CCC(C)CC1 1463242201 YAWYEERTMVFNIY-JQIJEIRASA-N 277.452 4.574 30 10 CJEE C=CCC[C@H](C(=O)NCCCC(C)(C)C)c1ccccc1 1465314590 RHLNINKXLPLHBP-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C=C(C)CCC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 1521223940 SJJUTWACLANLCC-AWEZNQCLSA-N 291.460 4.721 30 10 CJEE C=CCC[C@H](C(=O)N1CCCCCCCC1)c1ccccc1 1526219378 XNYVSCQSTIEKGQ-IBGZPJMESA-N 299.458 4.919 30 10 CJEE C/C(=C\C1CCC(C)CC1)C(=O)Nc1cc(C#N)ccc1C 1533805831 LWPCOGQDROXUTJ-XNTDXEJSSA-N 296.414 4.578 30 10 CJEE C=CC1(CC(=O)N2CC(C)(C)c3ccccc32)CCCCC1 1534707673 LGZILEORPXHOQH-UHFFFAOYSA-N 297.442 4.837 30 10 CJEE CCCCCCCCCN1CCOC2(CCCCC2)C1 1559809438 YSYXMGJXZOQVIY-UHFFFAOYSA-N 281.484 4.772 30 10 CJEE C#Cc1ccc(Nc2nc3c(C)cc(C)cc3s2)cc1 1613047500 VYEMACMYOFBTLQ-UHFFFAOYSA-N 278.380 4.638 30 10 CJEE C=C1CC(C)(C(=O)NCC(C)(C)CCCc2ccccc2)C1 1617701939 NDAGXNNDLTWTBT-UHFFFAOYSA-N 299.458 4.508 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 1620761882 WNXKQWAQOHNNJX-YJBOKZPZSA-N 287.422 4.582 30 10 CJEE C=CCCCN[C@@H]1CCCC[C@@H](c2ccccc2)C1 1620924124 JMPKVRVRKPMTFS-QZTJIDSGSA-N 257.421 4.659 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2c(C3CC3)cccc2[nH]1 1632684041 YAOAIGBXSBDTLJ-ZDUSSCGKSA-N 296.414 4.520 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 1633163920 BYHQIKNLQFHSKB-MRXNPFEDSA-N 291.822 4.654 30 10 CJEE C=CCCCN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1644178892 KYZVUJMDVDZSMR-MRXNPFEDSA-N 297.364 4.983 30 10 CJEE C=CCOc1cccc(CNc2ccc(CC)c(C)c2)c1 1650786953 MDEOIULTACRIIK-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE C=CCN(C/C=C\c1ccc(F)cc1)Cc1ccccc1 1651814068 JGZQTGOVFNIRGD-TWGQIWQCSA-N 281.374 4.527 30 10 CJEE C=C(C)CN(CCc1ccccc1CC)Cc1ccccc1 1654353643 QTQIDBGASUZUOI-UHFFFAOYSA-N 293.454 4.870 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2)C1 1657519780 DFPYZPNXTQTPGM-JQFCIGGWSA-N 261.384 4.611 30 10 CJEE C=CCC1(CNCc2ccc(C)c(Cl)c2)CCCC1 1657955988 MYMFDMYDFHCURD-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE C=CCCC1(CNCc2nccc3ccccc23)CCCC1 1662863678 ZYWFIPHIMUFTID-UHFFFAOYSA-N 294.442 4.851 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCCCC)CCCCC1 1681495680 KFAQQZOFACKBNE-HNNXBMFYSA-N 280.456 4.533 30 10 CJEE CCCCCCCCN=c1[nH]nc(C2CCCCC2)s1 1859788422 JQXRNQUFDRWEBN-UHFFFAOYSA-N 295.496 4.780 30 10 CJEE CCCC(C=O)(CCC)CN(C)[C@@H](C)C(C)(C)CC 1878543380 WKHDGELNWOMPEF-HNNXBMFYSA-N 269.473 4.528 30 10 CJEE C=CC[C@@H]1CCCN1Cc1ccccc1C(C)(C)C 1884632242 ZCPFSULYQUSWHO-MRXNPFEDSA-N 257.421 4.525 30 10 CJEE C=CC[C@@H]1CCCN(CC2CCC(CCC)CC2)C1 1884950651 HAZAMZPKCPXTMP-LXPRWKDFSA-N 263.469 4.881 30 10 CJEE CC#CCCCC[C@H](O)C1CC(C)(C)CC(C)(C)C1 1885235378 GVVJYXCAQCOAFV-INIZCTEOSA-N 264.453 4.784 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1c(C)cccc1F 1887322116 KYDKKLRYPVJFRG-PBHICJAKSA-N 263.400 4.777 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)C1(C)CCC(C)(C)CC1 1887465765 WJOAHTNYQXXCEA-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE 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C#CC[C@H](C[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1)C1CC1 2196855663 RYCOUPYEXJRQFE-RNIPGJKVSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1CCCC1(F)F)NCC 2197139397 IYLTZPAXABAYFI-HOTGVXAUSA-N 279.374 4.503 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H]1CCCC2(CC2)C1 2197151229 OMNORXINNRWLRP-ZWKOTPCHSA-N 269.432 4.648 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@]12CC[C@@H](C1)[C@H](C)O2 2199193827 PKYRYXMQVYQATK-WNRNVDISSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)C[C@H]1C[C@H]1CCC 2200410588 DAGCZQUEMKWPOW-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE N#CCc1cccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 2201104944 LBRZDOOIXYTVLI-BPQIPLTHSA-N 268.404 4.523 30 10 CJEE CCCC#CC[C@H](NCCC)c1coc2ccccc12 2203786378 VQJLKEMZEMEXHH-KRWDZBQOSA-N 269.388 4.667 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(SC)cc1)C1CCCCC1 2203799277 XCGGDQHUBYOHSO-KDOFPFPSSA-N 287.472 4.641 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 2206136976 XPUPTJGOVVMKOH-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE C=CCCCCCCC(=O)c1cccc(C(F)(F)F)n1 2206892661 SVWFRDDGDRMUFU-UHFFFAOYSA-N 285.309 4.810 30 10 CJEE C=CCCCCCC[C@H](NC)C1(OC)CCCCCC1 2206893911 FGLMXOKWLSDSGO-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@@H](NN)c1ccc(SCC)cc1 2206896324 CUKNGJBORWXEAT-QGZVFWFLSA-N 292.492 4.830 30 10 CJEE C=CCCCCCCCCN1CC[C@@H](OC)[C@H]1C(C)C 2207382693 VAJZLRJSQBBPCF-QZTJIDSGSA-N 281.484 4.648 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H](O)C1CCCC1 2207403073 GLGGZKGWOYEYAD-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCNCCOC1CCCCC1 2207406079 ZWWXEQMHTWXKJP-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCC[C@H](CN)C1 2207425153 NGDUSTYBLGRNBL-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1CCC[C@@H](C)N1 2207427886 ROQJHKNANBXYHM-SJORKVTESA-N 279.468 4.783 30 10 CJEE C=CCCCCCCCCN[C@]1(C)CCOCC1(C)C 2207433566 AWPSPQICJVOQJX-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](CC1CC(F)(F)C1)NN 2207443049 WPDAHKSLQDIIHF-HNNXBMFYSA-N 288.426 4.561 30 10 CJEE CCCCCCCCCNc1cc([N+](=O)[O-])ccc1F 2207443726 CRGATKFFUNEGAT-UHFFFAOYSA-N 282.359 4.896 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CC(C(C)C)C(C)C 2207443961 FOYHQXNZVBYMJS-MSOLQXFVSA-N 285.516 4.744 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](O)c2ccc(F)cc2O1 2207446055 DIBSEJZXTXFDII-ZBFHGGJFSA-N 280.383 4.761 30 10 CJEE C=CCCCCCCC[C@@]1(N)CSCCC1(C)C 2220084374 KVNKOBRARZDSGR-MRXNPFEDSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(F)C(C)(C)F 2220087632 VUTCAYPUHATXPO-OAHLLOKOSA-N 260.368 4.949 30 10 CJEE C=CCCCCCCNc1ccc2c(c1)SCC2 2222943767 LRHWIPACVNSHIF-UHFFFAOYSA-N 261.434 4.883 30 10 CJEE CC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C(C)C 2223740405 RQOCIUFTOJLPKZ-SNVBAGLBSA-N 274.273 4.606 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H](F)C1 2223869190 ZWDCYIAGFHZHPY-ARFHVFGLSA-N 257.437 4.853 30 10 CJEE C=CCCCCCCCCOCc1cc(Cl)ncn1 2225679501 QUWVFXVZKFKJGL-UHFFFAOYSA-N 282.815 4.563 30 10 CJEE C=CCCCCCCCN(C)CCc1ccccc1 2227278914 FEHVPXXGOGLHFK-UHFFFAOYSA-N 259.437 4.688 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(Cl)c(OC)c1 2227579524 OHGPSOQBEQKJTO-QWHCGFSZSA-N 281.827 4.744 30 10 CJEE C=C(CNC(C)(C)C)COCCCCCCCCC 2231007706 BXDPIJSGAQCMIK-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)CCCN[C@H](C)CC 2231024429 HODWETSZJWYATB-BRWVUGGUSA-N 269.473 4.695 30 10 CJEE C=C[C@H](CCCCC)Oc1ncnc(Cl)c1C(C)C 2231034723 JZUUQCZVDOHYIO-GFCCVEGCSA-N 282.815 4.767 30 10 CJEE CCCCCCCCCO[C@H]1CCCC(C)(C)[C@H]1O 2231073225 RFRJAIOOKMFRBC-HOTGVXAUSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@@H](CC(C)C)CO1 2231857534 SGTCAYTWEVTGMO-SJORKVTESA-N 269.473 4.735 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H](c1ccccc1)C(C)C 2233783567 WEGZLXQABRFENS-RBUKOAKNSA-N 271.448 4.598 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)c1scc(C)c1C)C1CC1 2234257272 YHNYCEINRKCOFJ-IRXDYDNUSA-N 289.488 4.845 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccnc(C(C)(F)F)c2)C1 2234919689 YIEHYIVBQTXGBI-MLGOLLRUSA-N 278.346 4.555 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(O)c1ccc(C)s1 2235520830 DDHKCSCCSLBTMH-DOTOQJQBSA-N 295.492 4.508 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncoc1C1CCC1 2235523168 BZDZNTNPBBBBCQ-OAHLLOKOSA-N 276.424 4.859 30 10 CJEE C=CCCCCCCC[C@@]1(CNCCC)CO[C@H](C)C1 2235525264 ADPRGOVVLSLMDQ-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(C)cc1OC 2235534249 YAZCKAMUHZJBCD-KRWDZBQOSA-N 275.436 4.920 30 10 CJEE CC1=CC[C@@](C)(CN(C)c2cccc(Cl)c2C#N)CC1 2237302958 YVGFGEDMCGGXKC-QGZVFWFLSA-N 288.822 4.784 30 10 CJEE C=CC1(CN(C)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 2238866572 IXMNWEZJISUVKX-KZNAEPCWSA-N 275.480 4.881 30 10 CJEE CC1(C[C@@]2(C=O)C[C@H]3CC[C@H]2C3)CC2(CC(F)(F)C2)C1 2239159761 FFYAZTZJQOSSOL-HEHGZKQESA-N 282.374 4.597 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](C#Cc1ccc(Cl)cc1)NC 2239467815 LHWDCQFVVKFZDG-WMZOPIPTSA-N 291.866 4.742 30 10 CJEE CC(C)(C)C1CCC(O)(C#Cc2cccc(Cl)c2)CC1 2239488322 ZDECOGUSDLPHBX-UHFFFAOYSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCOC[C@H](N)[C@H]1CCC1(C)C 2239489090 FUKVWAOVWKYGOM-SJORKVTESA-N 283.500 4.907 30 10 CJEE CC(C)(C#N)CCCCO[C@H]1CCC[C@@H](C(F)(F)F)C1 2239946578 GSHHJCDMLBFHDT-OLZOCXBDSA-N 291.357 4.844 30 10 CJEE C=CCCCCOc1cc(C)ccc1CN[C@@H](C)CC 2240212365 DPXOYXGYMIIOJS-INIZCTEOSA-N 275.436 4.618 30 10 CJEE C=CCCCCOc1ccc(CN[C@H](C)CC)cc1Cl 2240218148 QDXBJVPYPUIUAE-CQSZACIVSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC[C@H](COC)CC1 2240665728 GKPFYNWLRYLUDA-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CC(C)[C@@H](CS)CSCC12CCC(CC1)C2 2245383848 BPCWREJSBXHPBD-MOKVOYLWSA-N 258.496 4.502 30 10 CJEE CCCC#CCn1ccc2cc(Cl)c(Cl)cc21 2248219935 CODHZWMCJAPTED-UHFFFAOYSA-N 266.171 4.752 30 10 CJEE C=CCCCSc1cc(C(F)(F)F)cc(Cl)n1 2250062108 OGUNSPWGTTVLRU-UHFFFAOYSA-N 281.730 4.812 30 10 CJEE CCCCCCCC(=O)c1nccc(Br)c1C 2250752169 XCYJZCPLOJKTAA-UHFFFAOYSA-N 298.224 4.696 30 10 CJEE FC(F)(F)CCCCOCCCCCCCS 2252618695 LEFGTEQBPMLIRO-UHFFFAOYSA-N 272.376 4.616 30 10 CJEE C[C@@H]1C[C@H]1CCCCOCCCCC(C)(C)C#N 2256691215 CPIUUTZTLTVHOW-HUUCEWRRSA-N 251.414 4.549 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CCC[C@@H]1C(F)F 2257788339 IQZRCUJEKRWSJH-IHRRRGAJSA-N 262.384 4.779 30 10 CJEE CCN(C)C1(C#N)CCCCCCCCCCC1 2258113771 OFFGUNLYLKYCIN-UHFFFAOYSA-N 250.430 4.505 30 10 CJEE C=C(C)CCCC[C@@]1(O)C[C@@H](C)Sc2sccc21 2259189986 IABYHHDXOCKVAM-IUODEOHRSA-N 282.474 4.957 30 10 CJEE C=C(C)CCCC[C@@H](CSc1ccccc1)NC 2259196451 JXUONZDEMWFDAQ-HNNXBMFYSA-N 263.450 4.503 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@]1(CC)CC1(F)F 2259234202 YZGIYOFYGMLLGG-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@@H](CC[C@@H]1CC1(C)C)NCC 2259237174 LFCABHVNQMMGSJ-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CCC(C)CC1 2259237850 PRVRGBNKZZVXQQ-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CC1(C)C[C@@]1(C=O)CCC12CC3CC(CC(C3)C1)C2 2265111583 OHWOMSXWCWCFFY-SOYGFASJSA-N 260.421 4.598 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CC(F)(F)C12CCC2 2266148038 QIEOKNKQKYRYMP-KGLIPLIRSA-N 274.395 4.923 30 10 CJEE CCC(CC)(CC=CC#CC(C)(C)C)CNC(C)C 2268728702 ATDITPRZHGOTDS-UHFFFAOYSA-N 263.469 4.787 30 10 CJEE CCCCCCCCCC[C@]1(CO)C[C@]1(C)COC 2269289680 NZNYHEIELKRTBX-IAGOWNOFSA-N 270.457 4.552 30 10 CJEE CCCCCCCC[C@H](CN)CCc1ccccc1 2271188650 VFRMKRZDYLPJKW-SFHVURJKSA-N 261.453 4.945 30 10 CJEE C=CCCCSC[C@@H](N)c1ccc(C(C)(C)C)cc1 2271498475 QXWDMVHJRGYZAT-MRXNPFEDSA-N 277.477 4.683 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(F)cc1 2271503819 WEDZXEDOHTZCCH-INIZCTEOSA-N 281.440 4.566 30 10 CJEE C=C(C)CCCCN(C)Cc1ccc(CCC)cc1 2271746723 FIHMZMRFTTTWSS-UHFFFAOYSA-N 259.437 4.817 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C=O)C[C@H]3CC[C@H]2C3)C1 2274324355 MPNAMSFVRDLFTN-FTENBXGMSA-N 262.437 4.844 30 10 CJEE CCCCCCC[C@H](CCC(C)(C)C)OCCCN 2276406591 NVFARUFGNWZKKK-MRXNPFEDSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C(CC)CC 2276457499 UMWATEHPKTWDOA-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cscc1F 2276512142 VCRPVPVWLOSORU-HNNXBMFYSA-N 287.444 4.654 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@H](C(F)(F)F)C1 2279647922 XTIWKMSGIDCRDB-RDBSUJKOSA-N 294.405 4.548 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1OC 2283153523 LKTVQZXJUKRQBR-CJNGLKHVSA-N 295.854 4.992 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@H]2CC23CCC3)c1C#N 2283754113 ZSMZRVIYWYLNHR-GXTWGEPZSA-N 286.444 4.661 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCC2(CCCCC2)C1 2284077336 QOHWUPJUMRWXIU-IBGZPJMESA-N 274.448 4.848 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]12CCCC[C@@H]1CCC2 2284110594 FCWJSKSONZCPMD-VQIMIIECSA-N 272.432 4.912 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)c(F)cc1F 2284157430 FTYJSPHGIGQZSS-HNNXBMFYSA-N 297.776 4.614 30 10 CJEE C#CC[C@H](CNc1cccc(C2CCCC2)c1)C1CC1 2289262344 MLYQOACKOOTTKH-GOSISDBHSA-N 267.416 4.806 30 10 CJEE CC1(C)CC([C@@H](N)C#CC2CCCCC2)CC(C)(C)C1 2289716772 XUTIHGLKLYNDHC-KRWDZBQOSA-N 275.480 4.750 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(C)ccc1Cl 2289851225 DFOOSRIGCUNXME-SFHVURJKSA-N 289.850 4.883 30 10 CJEE C=CCCCCCCCC[C@H](OCCC(=O)O)C(C)C 2291263706 WZKZVGKPABYQKM-INIZCTEOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)C1=CC[C@@H](C)CC1 2291462707 VKICVZPZEDFXSH-GDBMZVCRSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@H](CC)C(C)C 2291631916 CHEOINSKQJBDPD-HZPDHXFCSA-N 286.456 4.889 30 10 CJEE C=C(C)CCCC[C@](CC)(CC1CC1)OCCC(=O)O 2291769783 YDAITXFUGMKSGJ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@@](C)(OCCC(=O)O)C(C(C)C)C(C)C 2292038941 MIZJDNJCJCZMLF-QGZVFWFLSA-N 284.440 4.521 30 10 CJEE C=CCCC[C@]1(OCCCN)CCC[C@@H](C(C)C)CC1 2292736236 DNUAZCPGFOICQH-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC1(F)F)OCCN 2293180424 JAEBCVVBYKHIMB-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE C=CCCCC[C@]1(OCCN)CC(C)(C)CCC1(C)C 2293270627 BZTGFJMUZRSVIK-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H]2CC[C@H]1C2 2293645973 JLJISXCGRSMJGR-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@](C)(OCCCN)[C@@H]1CCCC(C)(C)C1 2294558097 ZXIYXUQCJMPWHS-JZXOWHBKSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@H]([C@H](C)N)C1 2295537361 YRDPLCZTWDRXOZ-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccc(F)cn1 2295680364 YIBNAIZTCCZQQP-HNNXBMFYSA-N 280.431 4.840 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(OC(F)F)cc1 2295979676 BSKCLJIRHHRKAH-IUODEOHRSA-N 283.362 4.541 30 10 CJEE Clc1nc2ccccc2cc1C=NCCc1ccccc1 2297403650 MKPRWEUXKQLBIE-UHFFFAOYSA-N 294.785 4.550 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2301201645 OEOBEOLGPIMHDJ-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE CC[C@@H]1CCC[C@@H](OC[C@@H](CS)CC(C)C)C1 2308053353 JYODIPNSNGLRIX-QLFBSQMISA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@]12C[C@H](C)[C@@H]1C2 2308838013 CZDCZGSARIBDSA-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)C1(C)CCCCC1 2313646054 VRIPRGFNMUGYIY-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCSC1 2317000951 HGXGSAGBTXDSMJ-VGWMRTNUSA-N 263.450 4.630 30 10 CJEE Cc1c(C(=O)C#C[C@H]2CC2(C)C)ccc(Cl)c1Cl 2317331983 ZTJRBVPNGCXTTR-JTQLQIEISA-N 281.182 4.534 30 10 CJEE CCCCCCCCCCO[C@H](C)CCCCN 2318031065 CHSQMNKOSBGCGJ-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE Cc1ccc(C(=NOCc2ccccc2)C2CC2)cc1C 2318633864 RWFNSFQVTNUFPC-UHFFFAOYSA-N 279.383 4.634 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCC1(C)C)NCCC 2321100413 AZYJSYVSDMOQIL-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](CC)CC(F)F)NCC 2321109358 YJCSMNKQLXEPMZ-STQMWFEESA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC1CCC1)NCC 2321135463 VQLFACXAJMHAFX-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(F)c(Cl)c1F 2321217946 WGLWSLDTNBHCBT-KBPBESRZSA-N 274.738 4.644 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1csc(C(F)(F)F)c1 2321223930 PKILUBODMPMLDQ-NWDGAFQWSA-N 278.339 4.793 30 10 CJEE CC1(C)CCC(C#N)(CCCOC(C)(C)C)CC1 2321932070 QIFUZBSFBQDPFR-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2334662215 XYYGBNKITIKOQM-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCCC(F)(F)[C@@H]1NC 2335095945 HWXTVHIDGWRBFQ-MELADBBJSA-N 291.451 4.630 30 10 CJEE C=C1CC(CNC(C)C)(C(CC2CC2)CC2CC2)C1 2335160453 ODBAGTADTPAJPJ-UHFFFAOYSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1C[C@H](N)CC 2335597073 QVYRKZMMYAUDAE-QWHCGFSZSA-N 297.895 4.985 30 10 CJEE 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CCCCCCC[C@@H](C)Nc1cccc(C(=O)O)c1 59207920 NANSHWBOJLLQHX-CYBMUJFWSA-N 263.381 4.546 30 10 CJEE CCCCCCCCOc1cc(OCCC)ccc1CN 59272120 MQKIJDVORUFSRY-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(F)c(F)c1 59423093 VRSMMSNVTBVFTR-GFCCVEGCSA-N 255.352 4.586 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Br)s1 86061756 ULKDJURUFFUYGD-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CN2CCC[C@H](C(C)(C)C)CC2)C1 89612714 VFNBSVOKVXTXFL-ZIFCJYIRSA-N 293.495 4.530 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CC[C@@H](C)C[C@H]2C)CC1 91887359 JRIZGUBCEJXEHT-BNEJOAPWSA-N 277.452 4.530 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@@H](C)CC2)CC1 91903236 GBLQYHKLSBERPG-CPFNUKBASA-N 277.452 4.818 30 10 CJEE C[C@@H](CCS)CCOc1ccc2ccccc2c1 94583113 BMICXBVLMVQEMZ-CYBMUJFWSA-N 260.402 4.565 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1cccc(F)c1 94623106 FCVIGITVUHHYGC-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE SCCCCCCCCCSC1CCOCC1 97800143 UEBGGHLVUJHQHM-UHFFFAOYSA-N 276.511 4.559 30 10 CJEE CCCCCCCCOc1nc2ccccc2cc1C=O 102034769 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4.569 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCc2sc(Cl)cc21 129638091 ATYGDDXNWCGDLK-GFCCVEGCSA-N 288.803 4.681 30 10 CJEE CCCCCCCCNc1cc(Cl)nc(SC)n1 147274850 KVHVJIMKCYXLGT-UHFFFAOYSA-N 287.860 4.624 30 10 CJEE N#CC1([C@H](O)c2ccc(C3CC3)cc2)CCCCCCC1 156836238 YTHFYQIPMBGRKU-GOSISDBHSA-N 283.415 4.852 30 10 CJEE CCCCCCCC[C@H](O)[C@H](OCC)c1ccccc1 158391853 QMWDOYXJVUZDDH-ZWKOTPCHSA-N 278.436 4.876 30 10 CJEE CCCCCCCCCCNC[C@H]1CCC(C)(C)O1 160317298 XRNWMFIPRLSLHF-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE N#Cc1cc(Sc2ccc(F)cc2)ccc1C(F)(F)F 164511690 NLMPWYDBCXVZJA-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(C)nc1 164758960 DGTZHOGLESTQMZ-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCCN1 166489178 WFYZPUJSVVEHTK-MRXNPFEDSA-N 267.457 4.619 30 10 CJEE CCCCCCCC(=O)c1occc1Br 168323031 RKUOZTNJHKOQCS-UHFFFAOYSA-N 273.170 4.585 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H](C)c1ccccc1Cl 203438412 BPXDAJFFDFPWFX-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 219615453 VMKQQNOWMZYUDV-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC(C)C)C1 225095385 LGYCMEXGNPUUPO-MCIONIFRSA-N 253.455 4.873 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1ccc2cccnc2c1 229033688 PUZJTNNJLHYEGU-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(C)(CCC#N)CNc1cccc(Cl)c1Cl 229672461 KRAPNUNZORQVHG-UHFFFAOYSA-N 271.191 4.735 30 10 CJEE C=CCC[C@H](C)Nc1cccc(Br)c1C 232224929 JBVQKTKRCJNMTP-JTQLQIEISA-N 268.198 4.524 30 10 CJEE CCC[C@H](CS)COc1ccc([C@H](C)CC)cc1 232360699 KBVCZZZGHFHBEC-KGLIPLIRSA-N 266.450 4.925 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 232511172 XEMMGMIVDGLDBQ-OAGGEKHMSA-N 252.442 4.946 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(O)CCCCC1 232948786 ZHBGMZNYVFSOEK-MRXNPFEDSA-N 270.457 4.573 30 10 CJEE C=CCCCCC[C@H](N)c1ccc2ccccc2c1 236304104 QBNUAJHZSIPBQF-SFHVURJKSA-N 253.389 4.976 30 10 CJEE C=CCCCCC[C@@H](N)Cc1cccc2ccccc12 236314977 NYPQAIHUJORHFB-GOSISDBHSA-N 267.416 4.846 30 10 CJEE C[C@@H]1CC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 251538353 ANQUXIXPOSQRKT-WZRBSPASSA-N 297.320 4.781 30 10 CJEE Cc1cc(C)c(C=Nc2cccc([N+](=O)[O-])c2C)c(C)c1 252460403 FAXPWCPIHBTIAY-UHFFFAOYSA-N 282.343 4.579 30 10 CJEE CCC(C)(C)C1CCC(O)([C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252816501 KMGRESUNXZAVMR-FCFMWTOUSA-N 289.463 4.674 30 10 CJEE CCCC[C@@H](C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 302426814 RQONRVSXWAGMRV-MNOVXSKESA-N 298.213 4.996 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)cc(Br)c1 308307058 PZVKNNLDNYXUGC-VIFPVBQESA-N 288.616 4.869 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCCCC1(C)C)C(F)(F)F 311504181 MDVKAXFIFQEECY-STQMWFEESA-N 277.374 4.690 30 10 CJEE CC(C)(C)c1ccc([C@@]2(C)CCC[C@H](CC#N)O2)cc1 312602886 FCVQLKXQCKRQND-SJLPKXTDSA-N 271.404 4.682 30 10 CJEE C=C[C@H](C)[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1 318258961 JAUVUTGUFBPJIG-BBWFWOEESA-N 251.458 4.641 30 10 CJEE C=CCCCC1(CNC2CC2)CCC(C(C)C)CC1 319038530 JPLORFLYQXZNEU-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C#C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccccc1 378684724 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30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 709102385 AJDBBTGSIPBUSJ-MFKMUULPSA-N 295.785 4.728 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@H]1CNCCC 710616636 KRZJBTKTGYAQCR-UONOGXRCSA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 710640104 FBLAPHVDOYLBQV-OWCLPIDISA-N 271.876 4.817 30 10 CJEE CC1(C)C[C@H](CC2(C=O)CCCCCC2)C(C)(C)O1 711335530 JDIKQJGPIHOGIR-CQSZACIVSA-N 266.425 4.510 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)c(C)s1 715706218 QRPZRMJCBAXRAR-NHYWBVRUSA-N 251.439 4.618 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 715811784 DPRFLGZZOWZDPL-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCOCCC1C[C@@H]2CC[C@H](C1)N2 718788844 TVTAJDRXQJUDQT-AYHJJNSGSA-N 281.484 4.674 30 10 CJEE C=C1CCC(CSc2ccc(C(OC)OC)cc2)CC1 724606418 BGEQVIKJEPFCIO-UHFFFAOYSA-N 292.444 4.817 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@]2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1 725352094 RKEXLVQYMUZVDQ-PBFPGSCMSA-N 278.245 4.685 30 10 CJEE C=C(C)[C@@H]1CC=C(CN(CCC)C(=O)NC(C)(C)C)CC1 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C=CCCCCCCCC[C@H](N)[C@@H]1CC[C@H](F)C1 2086262689 YPQCJNLJGVNHNE-PMPSAXMXSA-N 255.421 4.759 30 10 CJEE C#CCCCCCC(=O)C1(C(F)(F)F)CCCCC1 2087965702 CXKCMVZEDDPNPD-UHFFFAOYSA-N 274.326 4.652 30 10 CJEE C=CCCCCCCNC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2089650442 AZOMEDGCMFQVOB-YESZJQIVSA-N 263.469 4.785 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@@H]2CCCCCC2(C)C)N1 2090417663 ZOTGQUSTQVXFAY-CJNGLKHVSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H](O)CCC 2092186179 NOVNQISKGKOTES-DLBZAZTESA-N 271.489 4.786 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)C(CC)CC 2092214991 JXKUDWDUEUKRKI-DLBZAZTESA-N 271.489 4.512 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCC[C@H]1N 2092323820 XLQRFHRPDISREX-IAGOWNOFSA-N 269.473 4.540 30 10 CJEE CC(C)[C@@H](CC#N)Nc1ccc(C(F)(F)F)cc1Cl 2092789209 ICCXVJZAQMRXDE-LLVKDONJSA-N 290.716 4.709 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C1CCCCCC1 2093458351 UUXVXBBBCYCOOS-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=C(C(=O)c1ccc(F)c2ccccc12)C(C)(C)C 2096660626 MSKCQZSKFWNHME-UHFFFAOYSA-N 256.320 4.764 30 10 CJEE CCC(C)(C)N(CCC#N)[C@H]1CCC2(CCCC2)C1 2098991973 NYQIULAHYHXJMK-HNNXBMFYSA-N 262.441 4.504 30 10 CJEE CC1=CCC[C@@H](C)[C@H]1CNc1ccc(Cl)c(C#N)c1 2100942658 FKLHJSULTFSUFL-DOMZBBRYSA-N 274.795 4.616 30 10 CJEE C=C(C)C[C@H](NCCC)C1CC2(C1)CC1(CCC1)C2 2100964739 VMARYZHPFUMTPZ-INIZCTEOSA-N 261.453 4.681 30 10 CJEE C[C@H](NCCCC(C)(C)C#N)C1CCC(C)(C)CC1 2102234253 ZVGKEAPVYXPDTP-AWEZNQCLSA-N 264.457 4.511 30 10 CJEE CCC[C@H]1CCC[C@@H](N=C2NC(C)(C)CCS2)CC1 2103220791 JLLXJDWOLMLLRB-UONOGXRCSA-N 282.497 4.597 30 10 CJEE CCCCCCC[C@@H](C)NCCCOC1CCCC1 2104170157 XJLBLZWAWBGOCY-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCOc1cccc(C)c1C=O 2104482192 PNYRNNFYQBDUDS-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE C[C@@H](C[C@]1(C#N)CCOC(C)(C)C1)C1CCCCC1 2105303676 NCDDNEQCFANLBL-WMLDXEAASA-N 263.425 4.692 30 10 CJEE CCCCCCCCCCCC(=O)c1nsc(C)n1 2107191294 DPNFIXCDTVDXFR-UHFFFAOYSA-N 282.453 4.950 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(C(F)F)cc1 2107955588 SAIPDZRXRUFCHG-CABCVRRESA-N 265.347 4.631 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)sc1C 2107955817 USXRETPGEQARAR-QGZVFWFLSA-N 277.477 4.989 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCCC[C@@H]1CC)C(F)(F)F 2108010065 ULWJLPVMBLWLTH-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=C([C@H](NCCC)C1[C@H]2CCCCC[C@H]12)[Si](C)(C)C 2110951705 UHPAUFSEDZGSFY-ZOBUZTSGSA-N 279.544 4.615 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2CCCC2(C)C)CCC1 2111712639 ZFHGGTBTZZLLKQ-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@@H]2C[C@H](CCC)CC[C@@H]2NCC)CCC1 2111718284 JHZPTONNXMHJFY-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CC1(CC2(CN)CCC(C(C)(C)C)CC2)CCC1 2111720914 JCIGTKMTRRONCY-UHFFFAOYSA-N 263.469 4.914 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1C2CCCC1CCC2 2112854488 QSNIYELQVUHNSU-FEPQMPSTSA-N 261.453 4.680 30 10 CJEE CCCCCCCN(C)C[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2115758660 IUAICVFBAHHFMZ-RBSFLKMASA-N 273.411 4.570 30 10 CJEE CCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1NCCC 2116375484 HVSDGJCYEDYKHK-GJYPPUQNSA-N 287.428 4.728 30 10 CJEE C=CCCC[C@H](C[C@@]1(C)CCCCC1(F)F)NCC 2116482397 NRWGSVCWJMIJMD-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCCCC12CC2 2116974250 JHPGEBUZWXMQEV-GOSISDBHSA-N 263.469 4.929 30 10 CJEE N#C[C@@]1(Cc2cc3ccccc3s2)CCCC12CC2 2117003574 HXKRVKIFKRGYPT-KRWDZBQOSA-N 267.397 4.918 30 10 CJEE C=CC1(C[C@@]2(C(=O)O)CCCCC23CCC3)CCC1 2117043873 HBJCAJOATYULOI-QGZVFWFLSA-N 262.393 4.548 30 10 CJEE CC(C)C1CC(N(C)CC2(CS)CCCCCC2)C1 2120231853 RUHHCYOWDUATAQ-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE C=CC1(NC[C@]2(C)CCCCC2(F)F)CCCCC1 2121651091 VEMYLWJSFNGGAV-AWEZNQCLSA-N 271.395 4.681 30 10 CJEE C=CCCCCC(=O)Cc1ccc2ccccc2c1 2123084979 SBLSWYWCDMIZAX-UHFFFAOYSA-N 252.357 4.698 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C(C)(C)CC(F)(F)F)CC1 2125189634 XFIPKCLKMJVQQS-LLVKDONJSA-N 276.342 4.917 30 10 CJEE C=CC1(C[C@@H]2C[C@@H](NCCC)CC(C)(C)C2)CCC1 2127163449 WEJARDJXONVKNO-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=C(C)CN(C[C@@H]1C[C@H]1C1CCCCCC1)C(C)C 2135839661 VZQKPOJYHWMIHD-ROUUACIJSA-N 263.469 4.879 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC[C@@H](CC)O2)CC1 2136733665 XLDGASSUJUBFQY-JCCCHCCOSA-N 266.425 4.510 30 10 CJEE Cc1cc(Cl)c(Nc2ccc(CC#N)cn2)cc1Cl 2138601480 UKHPDRTZVLUMLW-UHFFFAOYSA-N 292.169 4.507 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1CCCC[C@H]1CC 2138985519 FYWYKUTUJRHYHY-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@]1(N)CCC[C@@H](C(C)C)CC1 2138989980 INPYZSGCWLFKCP-MSOLQXFVSA-N 263.469 4.894 30 10 CJEE CCCCCC#CCC(=O)c1cc(C)cc(C)c1C 2139047917 FUKHONWNRHKBMW-UHFFFAOYSA-N 256.389 4.768 30 10 CJEE C#C[C@@H](N[C@H](C)c1c(Cl)cccc1Cl)C1CCCC1 2139191064 KCTNADWSGTYMNQ-IAQYHMDHSA-N 296.241 4.836 30 10 CJEE C=CCCCCCCn1ccc2ccc(OC)cc21 2141904873 GBLQBNJOHLPARJ-UHFFFAOYSA-N 257.377 4.786 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(C)cc(OC)c1 2141906933 ZGCMCGAFOKTACN-QGZVFWFLSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCNc1ccccc1OC(F)F 2141923352 UMLYEAHTXPWWKM-UHFFFAOYSA-N 269.335 4.836 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2C[C@@H]2C1 2142447183 RZPXURZJYZGYFX-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@H](C)CCN 2142449450 AILALMQKBHHJTR-MRXNPFEDSA-N 267.457 4.627 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@]1(C)CC1(F)F 2142451935 BMRMZCIRYZDMMB-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CC1CCCCC1 2142458131 UYZLPDQMYTVTAH-MRXNPFEDSA-N 268.441 4.637 30 10 CJEE CCC[C@@H](C(=O)[C@H](C#N)c1c(F)cccc1Cl)C(C)C 2144871528 AGGHBCIHOXWLEQ-VXGBXAGGSA-N 295.785 4.728 30 10 CJEE CCCCCCCCO[C@@]1(C(=O)O)CCCCC[C@@H]1C 2145017965 QBLDGZQNYKRYEQ-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE Cc1ccc(CSc2ccc(C#N)c3ccccc23)o1 2145640719 HALRCOIRPBMMPJ-UHFFFAOYSA-N 279.364 4.905 30 10 CJEE CCCCCCCCCCC(=O)[C@@](O)(C(C)C)C1CC1 2147120081 FTJGRCJSIIYQRI-GOSISDBHSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)c1ccc(Cl)cc1 2147538871 OLZDGDWPDZBBBT-IRXDYDNUSA-N 297.870 4.841 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@](C)(O)CC(C)(C)C 2148582536 LUGCDWFPCGGJNH-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)c1ccc(SC)cc1 2148586036 GRPNUQGHIZJGBE-IAGOWNOFSA-N 295.492 4.520 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@](C)(O)[C@@H]1CC1(C)C 2148611224 DVIUOXLASCDWKD-RYRKJORJSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](NCC)c1cncc2c1CCC2 2152018391 CSLXFDSIKBDBIZ-SFHVURJKSA-N 274.452 4.581 30 10 CJEE CC(C)(C)c1cccc(C(=O)[C@H](C#N)c2ccsc2)c1 2152534291 YLHNFJJXRSCCDV-OAHLLOKOSA-N 283.396 4.536 30 10 CJEE Cc1ccc(N[C@H]2CCCCCCC2(F)F)c(C#N)c1 2152678740 JMHQBOMQGOFNFI-HNNXBMFYSA-N 278.346 4.637 30 10 CJEE C=C([C@H](NCCC)c1c(F)cc(F)cc1F)C(C)(C)C 2152926611 QSKGIGBMVPAYIC-HNNXBMFYSA-N 285.353 4.747 30 10 CJEE C=C([C@H](NCC)[C@H]1CCCC[C@H]1C(F)(F)F)C(C)(C)C 2152942772 LTJKTLOHEAUSAH-MJBXVCDLSA-N 291.401 4.936 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H](O)CC2CCCCC2)CC1 2154497633 XMRUMHNRUAJJOE-INIZCTEOSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@]1(O)CCCOC12CCCC2 2154988005 LZLMAFINXWBHAN-KRWDZBQOSA-N 282.468 4.981 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@@H]1CC[C@@H](C)C1)NCC 2157887200 AJFSAYSSZMSBLW-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCCCNC1(CC(=O)O)CCCCCC1 2158584303 IVQKYSCVKPITCH-UHFFFAOYSA-N 283.456 4.504 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2cc(C#N)cc(Cl)n2)CC1 2159433119 ASXKGIAFKGSKQR-OCCSQVGLSA-N 291.826 4.768 30 10 CJEE CCC1(OCc2c(F)cccc2Cl)CCC(=NO)CC1 2161474284 VVNNLUBNXUBKNU-UHFFFAOYSA-N 299.773 4.549 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CC23CCC(F)(F)CC3)CC1 2163368397 KKYBVMTUMONVKY-CQSZACIVSA-N 282.374 4.908 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@]1(O)CCCC12CCCCC2 2164482711 UKPOXIXMUCUPHZ-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE CC[C@]1(C)CCSC(=N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)N1 2166178064 GQSNVYMPUZKWGR-LJIGWXMPSA-N 294.508 4.597 30 10 CJEE CC(C)C1CCC([C@@](C)(C#N)NCc2cccs2)CC1 2168396862 QGFOIZCCPBRHFY-VMBOVVBDSA-N 290.476 4.582 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CCCC(C)(C)C1 2168568858 MIDYTJYHJFVSQE-GDBMZVCRSA-N 270.420 4.769 30 10 CJEE CSc1cccc(N[C@H]2CCCCC(F)(F)C2)c1C#N 2168897374 MWZUVASOHMJCHX-NSHDSACASA-N 296.386 4.660 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H](O)c2cccc(Cl)c2)CC1 2169730795 PGBMWSIUVADQFW-OAHLLOKOSA-N 291.822 4.874 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CC=C(C)C)NCC 2171042487 OZDUYAWWVBINOK-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE N#C[C@H]1CCCCC[C@H]1N1CCCC2(CCCC2)CC1 2171394867 PCZAJDUJFZNNFD-IAGOWNOFSA-N 274.452 4.505 30 10 CJEE CO[C@@H](CC1(C=O)CCC2(CC1)CC2)C1CCCCC1 2176574061 VKUVOECNYRXRIJ-INIZCTEOSA-N 278.436 4.511 30 10 CJEE CCCN[C@@H](CC#CC1CC1)C1(C)CCC(C)(C)CC1 2176613134 KLLKFZCKSDLIPA-KRWDZBQOSA-N 275.480 4.765 30 10 CJEE CCC[C@@H]1CNC(=NC[C@@H]2CCCC(C)(C)CC2)SC1 2177247307 VZOUAZAFGYWBEI-HUUCEWRRSA-N 296.524 4.702 30 10 CJEE Cc1cc(C#N)ccc1N(C)Cc1cc(C(F)F)cs1 2177396855 BTZDOAUGWOWQJO-UHFFFAOYSA-N 292.354 4.502 30 10 CJEE CCNc1cccc(C#Cc2cccc3ccsc23)c1 2179343127 AGXMUUQZUVODHW-UHFFFAOYSA-N 277.392 4.733 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@](C)(O)[C@H](C)CC(C)C 2179680570 KJWCNYMPMLVYMI-SQNIBIBYSA-N 283.500 4.534 30 10 CJEE CO[C@@H](C(=O)C1=CC[C@H](C(C)(C)C)CC1)C1CCCC1 2181661739 HRCGCUYFWDYUAG-DOTOQJQBSA-N 278.436 4.533 30 10 CJEE C=C1CC(C[C@H](NC)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)C1 2182169902 GCQRQZBHHHAQPF-HZOPKGLOSA-N 273.464 4.537 30 10 CJEE CCCCCCC[C@@H](CCCOCC1CCC1)NCC 2184756401 BCALRQNNGRQHOJ-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CO[C@@H](C[C@@]1(C#N)CCCC(F)(F)C1)C1CCCCC1 2184843515 DSXSBZCMPVQGMV-GJZGRUSLSA-N 285.378 4.691 30 10 CJEE CC(C)(C)OCCCCCC1(C=O)CCC(F)(F)CC1 2184893693 OXYSXNUOTRMLGH-UHFFFAOYSA-N 290.394 4.757 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]12CCCCN1CCC2 2186105317 FZIXYPJUYHRTLF-ROUUACIJSA-N 281.484 4.507 30 10 CJEE CC[C@@H]1CC[C@](CC#C[Si](C)(C)C)(CNCC(C)C)C1 2187476449 LYEDHHGPMGRPMB-MSOLQXFVSA-N 293.571 4.699 30 10 CJEE CCC(C)(C)[C@H](C)N(C)C[C@@]1(C=O)CCCC(C)(C)C1 2193166652 OMYRAKFEZYLQQJ-MAUKXSAKSA-N 281.484 4.528 30 10 CJEE CCSc1cccc(N[C@@H](C)C(C)(C)C(F)F)c1C#N 2193187706 DCYKGFZGMBMXGZ-JTQLQIEISA-N 298.402 4.762 30 10 CJEE C[C@@H]1CCC[C@]1(C)N=C1NC2(CCCCCCC2)CS1 2193341185 XRUISGMPCBGTLQ-ZBFHGGJFSA-N 294.508 4.741 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H](CC)CC(F)(F)F 2196171224 HFWYGHCQJVHSRC-CABCVRRESA-N 291.401 4.917 30 10 CJEE C#CC[C@H](COc1ccc(C)cc1C(C)(C)C)C1CC1 2196715868 DOJBVZMDVZHSMI-MRXNPFEDSA-N 270.416 4.721 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1ccc(C)cc1Cl)C1CC1 2196835518 CHRJQTAIGGUBDE-YJBOKZPZSA-N 289.850 4.739 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 2196853407 HUEXLFCGYATIPE-MLHJIOFPSA-N 277.496 4.724 30 10 CJEE C#CC[C@H](C[C@@H]1CCCC[C@H]1CNC(C)(C)C)C1CC1 2196854598 PCSBRQLHAFOYLA-SQNIBIBYSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C1(CC(C)C)CCCC1 2197137986 SFDUBWXXHBIRQE-GOSISDBHSA-N 271.448 4.894 30 10 CJEE C=C(c1ccccc1)[C@@](C)(O)c1ccc(CCC)cc1 2197142002 LKOAWPQUEQLICC-LJQANCHMSA-N 266.384 4.560 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2N[C@H]([C@H](C)CC)CS2)CC1 2201221957 PDWXWRFLSMLZRA-FPCVCCKLSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCC[C@@H](O)CC12COC(C)(C1)C2 2202807684 ZHSYQIGBHHHZGJ-WWDZGPRUSA-N 282.468 4.837 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1ccc(F)cc1 2203785453 ONWVHMUCEHECMI-GOSISDBHSA-N 275.411 4.840 30 10 CJEE CCCC#CCOc1ccc(Cl)cc1[C@@H](C)NCCC 2203785899 RXBGLABJNADTEA-CQSZACIVSA-N 293.838 4.583 30 10 CJEE C#C[C@H](N[C@H](CC)CC1CCCCC1)C1CCCCC1 2203797877 HKUNIDANDHTPBJ-MOPGFXCFSA-N 275.480 4.907 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(O)CC[C@H](C(C)C)C1 2206214769 LLLXMZMYIKYMJI-OKZBNKHCSA-N 283.500 4.512 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCCCO1)NCCC 2206895816 XQOBCCHQLBTCQC-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN(C)C[C@H]1C[C@H](C)CO1 2207378080 QNMJJYZILSACPW-ZWKOTPCHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)[C@H]1CCCS1 2207379391 YXVJPWPMXMSKEZ-IAGOWNOFSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1nccn1CC 2207404928 VPJUBQGVPPKCCH-INIZCTEOSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCCC[C@H](N)C1(O)CC(CC)C1 2207416906 YWQUZNLLAOTVNR-ADKAHSJRSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1cnc(C)cn1 2207437811 RIIONKLRHAZUHL-KRWDZBQOSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@H]1C2 2207440299 CWDOFTTWLAFZPR-OKZBNKHCSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2207447434 IMKVHDVGJVHBPT-KCTOORRSSA-N 276.464 4.946 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(Cl)CC1(C)C 2216143995 RECIDAVXVMBRAI-DZGCQCFKSA-N 259.865 4.733 30 10 CJEE CCCCCCCC(=O)c1nc(C(C)(F)F)cs1 2219297801 LBRRJSYJGYUENA-UHFFFAOYSA-N 275.364 4.798 30 10 CJEE C=CCCCCCCC[C@@H]1CCCC(F)(F)[C@H]1O 2220089453 QDZDJERXTBNYQT-KGLIPLIRSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCC[C@]1(O)CC[C@H]1C1CCC1 2220094894 XLWMZPNCMPLLJI-IRXDYDNUSA-N 250.426 4.844 30 10 CJEE COC1(CSCC2(CS)CCCCCC2)CCC1 2222873421 QHZSCFYFQQMRMH-UHFFFAOYSA-N 288.522 4.559 30 10 CJEE CCCCCCCCC[C@@](C)(CNCCC)OC 2223582100 RNUKDHBQPVIGTN-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225290742 UMTATTHMEPNSGE-CAOSSQGBSA-N 260.421 4.908 30 10 CJEE CCC(C)(C)N(CCC#N)CCCCCCC1CC1 2225781648 HGFPQSSJFUSQKT-UHFFFAOYSA-N 264.457 4.751 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H]1CCCC2(CCCCC2)C1 2226322962 TXJJYHRBKQFJHZ-IRXDYDNUSA-N 261.453 4.517 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCC[C@@H](C)O1 2226887639 MYPCRLFASOORAB-IXDOHACOSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C 2227275515 XYRCUWVNZWJSCM-MHORFTMASA-N 263.469 4.785 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H](C)COC)NCC 2227276428 RDONVXNZEKNIST-SJORKVTESA-N 269.473 4.554 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(F)c(C)c1Cl 2227336296 RCEURLDVRFHAGZ-AWEZNQCLSA-N 286.822 4.652 30 10 CJEE CCCCCC#CC[C@H](NC)[C@]1(C)CC=C(C)CC1 2229042296 JTVIZWPRKDHIRA-ZWKOTPCHSA-N 261.453 4.685 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCc2ncsc21 2229681374 FKMXNHJSTRGPJV-INIZCTEOSA-N 279.449 4.584 30 10 CJEE C[C@@H]1O[C@H](C)C[C@]1(C#N)CCCCCCCC1CC1 2230908921 KZXZXPOSVRGPDR-VYDXJSESSA-N 263.425 4.834 30 10 CJEE C=C[C@H](CCCCC)Oc1cccc(SC)c1C#N 2231022211 MNHQUJRNKUUTEZ-CYBMUJFWSA-N 275.417 4.794 30 10 CJEE C=CC1(Nc2nc(Cl)cc3ccccc23)CCCC1 2231240874 AGAHFKSJVASSNB-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE C=CCC(C)(C)Oc1cc(CN[C@H](C)CC)sc1C 2231431825 BSFFQKPZZFAWJQ-GFCCVEGCSA-N 281.465 4.678 30 10 CJEE CCCCCCCC1(CNC2CCC2)CC(F)(F)C1 2231548404 IYTFBHXLRYIKDT-UHFFFAOYSA-N 273.411 4.905 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H]1CCCCO1 2231906297 JZTNPDXEOCFTLG-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1C#N 2231924759 JGJUAJOPSQNFCT-BBWFWOEESA-N 264.457 4.797 30 10 CJEE CC(C)C1CCC(C=O)(CCCCCCCCO)CC1 2233213322 WSNLCYFOJFGKES-UHFFFAOYSA-N 282.468 4.741 30 10 CJEE CCC1(OCCCCCCC2CC2)CCC(=NO)CC1 2234158659 BTKGJMIAYWXNTR-UHFFFAOYSA-N 281.440 4.917 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cnc(OC)s1 2235522785 YDDLZYPQPWKPQK-CQSZACIVSA-N 296.480 4.719 30 10 CJEE C=CCCCCCCC[C@@]1(CNCC)CCO[C@H](C)C1 2235527677 XRLSSPNVLZROPZ-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(C)ccc1OC 2235536759 XWINSKQEEJXZBX-QGZVFWFLSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@@H](NN)C12CCC(CC1)CC2 2235542122 OWYPBZPCXXESKX-LXPRWKDFSA-N 278.484 4.705 30 10 CJEE CCCCCCC[C@@H](NCCC)c1nc(C)ccc1F 2237965993 XOMOKFBPDMFAAC-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE CCCN[C@](C#N)(CC)CSCCCCCCC1CC1 2239356605 BCWRXADUOQSJMG-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CCCCCCCCCCOC[C@H]1NCCC[C@H]1CC 2239480167 BQRCOYBSBMYWRV-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CCCCC)OCCC(C)(C)CNC1CCC1 2239504287 YUNYGKNMIPKCEJ-KRWDZBQOSA-N 281.484 4.696 30 10 CJEE C=C[C@H](CCCCC)OCc1csc(CNC2CC2)c1 2239510422 MSLMDBDSMZADAX-MRXNPFEDSA-N 293.476 4.652 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NCCC)C1CCC1 2240639044 APWULGDEYYIXKK-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE C=C(C)CCCCN(C)Cc1ccccc1Cl 2250189631 PXMJAABOWNTJRY-UHFFFAOYSA-N 251.801 4.518 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc(Cl)c1C 2255409809 HQWBAOFQTPCTMV-SNVBAGLBSA-N 289.206 4.606 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCCC2CC(F)C2)C1 2257855517 WHVQSYJNJPTPBJ-DMVUBFGOSA-N 269.429 4.576 30 10 CJEE CCCCCCCCCNC[C@]12CCC[C@H]1CC2 2260525596 WJZKJYHJUVZPPT-DLBZAZTESA-N 251.458 4.907 30 10 CJEE CCN(CCCCCCCS)[C@@H]1CCCC1(C)C 2263205524 JTKXVZVQGRYGIZ-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccc(C(F)(F)F)s1 2263304643 QOCRORUBAHWWLS-CABZTGNLSA-N 277.355 4.630 30 10 CJEE CCCCCCCCC[C@@]1(C)CCN[C@H]1C1CC1 2263651370 YQXCQNXTPPIWIL-IRXDYDNUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CSC[C@@H]1C 2263718280 PKILGUPJWSWKAK-HRCADAONSA-N 271.514 4.857 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1csc(C2CC2)c1 2267849791 QUQQKYYUYPBIOL-HNNXBMFYSA-N 275.461 4.716 30 10 CJEE CSc1cccc(SCC2CC3(CCC3)C2)c1C#N 2268470197 HFOSRUNFHYJBEH-UHFFFAOYSA-N 289.469 4.953 30 10 CJEE CC[C@]1(C)CCSC(=NCC(C)(C(C)C)C(C)C)N1 2268555734 QKURSDSEKGZAGI-OAHLLOKOSA-N 284.513 4.556 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C)c2ccccc2[C@H]1NC 2271496728 AFDTXVJUGDQPDE-IAOVAPTHSA-N 275.461 4.522 30 10 CJEE C=CCCCSc1cc(C)ccc1CN[C@@H](C)CC 2271585092 GSBHEHFOZMJBOA-HNNXBMFYSA-N 277.477 4.941 30 10 CJEE CCCCCCCCCN1C[C@@H](C)OC(C)(C)[C@@H]1C 2272277051 WLBSEJLLTSHCKF-CVEARBPZSA-N 269.473 4.625 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H](CC)CC(C)C 2273963645 BJYLGWPYLKRIPB-ZWKOTPCHSA-N 263.469 4.621 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C(C)(C)CCC 2273993673 JNERJHOCRKWXRC-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C(#CC1CCCC1)CNc1cccc(C2CCC2)c1 2274108713 ZCNPCYCBMZJPKL-UHFFFAOYSA-N 253.389 4.560 30 10 CJEE CCCCCCCC[C@](CC)(OCC(=O)O)C(C)C 2274771256 HJXMQOWVPONJBT-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C(C)=C(C)C 2275490757 XROXLAVELYJZKG-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(CC1CCC1)OCCCN 2276218307 CGQGIJFCDGWAFV-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=C[C@H](C)C[C@H](O)c1ccccc1-c1ccccc1 2277436451 HEKHCZKHKXVVNO-KSSFIOAISA-N 252.357 4.599 30 10 CJEE C[C@H](NCC=CC#CC(C)(C)C)C1CCC(C)(C)CC1 2284099292 RFVOLBQMJRNABZ-INIZCTEOSA-N 275.480 4.787 30 10 CJEE CCN[C@@H](CCC=CC#CC(C)(C)C)c1ccccc1 2284114326 YJIFIGZUQUPGIG-SFHVURJKSA-N 269.432 4.723 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1C[C@@]1(C)COC 2284696209 QCOOVSXEFFKKAO-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2COC3(CCC3)C2)CC1 2284757821 UOELSJLFRCWONR-NVXWUHKLSA-N 275.436 4.836 30 10 CJEE N#C[C@H](c1cccc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 2285321864 QZZOVWPQCYTQFP-KNEBKQPDSA-N 261.368 4.883 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CC)C[C@@](C#N)(NC(C)C)C1 2287096831 PBKSQNANUNTKOY-BRWVUGGUSA-N 294.508 4.525 30 10 CJEE C=CCCS[C@H](C)[C@@H](NCCC)c1ccc(CC)cc1 2287185423 CHOXTPMAEKNSPN-CRAIPNDOSA-N 291.504 4.988 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(OC(F)(F)F)cc1 2287424512 WPKKDBDVZZOMTB-CQSZACIVSA-N 288.309 4.755 30 10 CJEE CCC[C@H](CC)[C@@H](O)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2287715233 APWCQTOKDUJOQK-NUEKZKHPSA-N 280.452 4.515 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@]23CCCC[C@H]2CC3)C1 2289128575 VSUKBQLKUBSLQW-HKUYNNGSSA-N 275.480 4.929 30 10 CJEE C=C1CCC(CNCc2cccc(C(C)(C)C)c2)CC1 2290288908 ZCBMDOSQKHGLFL-UHFFFAOYSA-N 271.448 4.820 30 10 CJEE C=C(C)CCCC[C@](C)(OCC(=O)O)[C@H](C)CC(C)C 2291769182 VBHHWSLYNDNQCX-WBVHZDCISA-N 284.440 4.665 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCCCCC)OCCC(=O)O 2292256789 QTMXKLLHYXAVOM-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H]1CCC[C@H]1C 2292450663 JOTAFNALIVHCQJ-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](CCCCC(F)F)OCC(=O)O 2292565118 JDQQRZSAKBJYMD-ZDUSSCGKSA-N 294.382 4.642 30 10 CJEE CCCCCCCCC[C@](CC)(OCCN)[C@H]1C[C@H]1C 2293498431 IFEHOGBNKQQXAB-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@H]2C[C@@H]21)OCCN 2293974108 IBEIAXKSGGQKLT-XLAORIBOSA-N 281.484 4.517 30 10 CJEE N#C[C@]1(C2C3CC4CC(C3)CC2C4)CCCC12CCC2 2294865521 OXNZXDPQIXTYOR-PWKXAEOISA-N 269.432 4.923 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cn(C(F)F)cn1 2295588520 PGWUVLIVICYKLW-HNNXBMFYSA-N 288.382 4.626 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnc(C2CC2)o1 2295592310 PJUOIUNXGWASGT-KRWDZBQOSA-N 278.440 4.867 30 10 CJEE C=C1C[C@H]1C[C@](C)(CCCCCCCCC)OCCN 2295688807 JMSUBZNZHQGDOX-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C[S@](=N)(=O)C[C@@H](CC)CCCC)c1ccccc1 2295707588 GHEPNMOALLVVGN-JXFKEZNVSA-N 293.476 4.963 30 10 CJEE CCCC[C@@H](CC)CSCC(=O)c1ccc(C#N)cc1 2295766019 JJECXGUGLTXIJT-CQSZACIVSA-N 289.444 4.691 30 10 CJEE C=CC[C@@H](C)Sc1ccsc1CN[C@H](C)CC 2298930208 JCTAUPJKTOIMRN-VXGBXAGGSA-N 269.479 4.693 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(F)c(C)c1Cl 2301087777 BJHFUONBQZOSLV-GFCCVEGCSA-N 276.182 4.581 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)csc1C 2304036254 TUXJGWXRRRUOJC-ABAIWWIYSA-N 251.439 4.618 30 10 CJEE CC#CCCC[C@H](O)c1c(Cl)cc(C)cc1Cl 2307626457 OYEIYECNAJWKRG-ZDUSSCGKSA-N 271.187 4.529 30 10 CJEE CCC[C@H](CC)COc1cc(Br)ccc1C#N 2307752152 OJXHJMZJQDPHMM-NSHDSACASA-N 296.208 4.526 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2316713901 BGZCUIBJJLQROW-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE Cc1c(C(=O)CC#CC(C)(C)C)ccc(Cl)c1Cl 2316984361 DRPNWSBRUJTHNZ-UHFFFAOYSA-N 283.198 4.924 30 10 CJEE CCCC#CCC(=O)CCc1cc(Cl)cc(Cl)c1 2318638602 DBYSWOMDBPIOQD-UHFFFAOYSA-N 283.198 4.689 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC[C@H]1C)NCC 2321099254 QCPFYLKRPDTLID-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)C1CCC(CC)CC1 2321108431 PKQYIRPUHWYXJZ-GQGLESIBSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)c(C)c1 2321140248 GDFAUEQEAINJMX-HOTGVXAUSA-N 265.828 4.901 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1cc(F)ccc1Cl 2327100275 PLOOZHQQLYBSLL-CQSZACIVSA-N 290.831 4.840 30 10 CJEE CC1(C)CC[C@@H](COC[C@@](C)(CS)C(C)(C)C)C1 2327118310 IETGIQPHQBXKEV-CJNGLKHVSA-N 272.498 4.812 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2327367813 LXKCYBHRBUOZFU-RNCFNFMXSA-N 290.209 4.995 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(F)(F)F 2329031375 JTZZEUJYKKAAGX-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330172043 RDMIXDYUMLJERU-BARDWOONSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1OC 2331739293 GZFOHGFZAOKWRD-GVDBMIGSSA-N 269.473 4.660 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2332480879 IODCIQYXOCTTPY-BPQIPLTHSA-N 257.421 4.504 30 10 CJEE C=CC[C@H](C)OC(=O)c1sccc1-c1ccccc1 2335110997 QYDGJFWDQQNQKJ-LBPRGKRZSA-N 272.369 4.537 30 10 CJEE C=C[C@@](N)(c1ccccc1)c1c(Cl)cc(F)cc1Cl 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CN(CCCCC(C)(F)F)C[C@@](C)(CS)C(C)(C)C 2352087707 XHCXEDMQGHCXIK-AWEZNQCLSA-N 295.483 4.726 30 10 CJEE CCCC[C@](C)(C#N)[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2357822616 QCLMJJKXUKSCHB-XWTMOSNGSA-N 277.452 4.674 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359891367 KVKBWTKCMAATMT-CADBVGFASA-N 274.448 4.538 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)OCCCN 2360086244 ZCKKKAHWSHSJBZ-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@H]1[C@@H]2CCOC[C@@H]21 2360175231 BVBFQJVXHHYQQC-XLAORIBOSA-N 282.468 4.551 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1ccc(C(C)(C)C)cc1 2360208597 QTWBJKOIYMJTFP-PBHICJAKSA-N 291.504 4.942 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)c2cnc(C)cc12 2360208837 URRVDCSZVZYCGI-UHFFFAOYSA-N 284.428 4.738 30 10 CJEE CCCC(CCC)Nc1ccc(Cl)c(C#N)c1 36973180 KCBXGQOASVDDHM-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE Cc1ccc(S[C@@H]2CCCCC[C@H]2C#N)cc1C 37155477 DCSFDZZZKVTYSY-GOEBONIOSA-N 259.418 4.868 30 10 CJEE N#Cc1oc2c(Cl)cc(Br)cc2c1C1CC1 52068744 QVAJOVACTIWKBC-UHFFFAOYSA-N 296.551 4.598 30 10 CJEE CCCCCCCO[C@H](C(C)C)[C@@H](N)c1ccccc1 59083354 BQYWJLYLJOULLF-ZWKOTPCHSA-N 277.452 4.698 30 10 CJEE Cc1ccc(/N=C/c2c(C)cc(C)cc2C)c(C)c1 59519200 WHMPYHUCBKSQQV-YBFXNURJSA-N 251.373 4.979 30 10 CJEE Clc1ccccc1/N=C/c1cccn1-c1ccccc1 59679476 QLNPFOUBYSUPIZ-CPNJWEJPSA-N 280.758 4.881 30 10 CJEE Cc1ccc(SC[C@@H](C#N)c2ccccc2)cc1C 80800656 SEMWSMXBUYWBQM-MRXNPFEDSA-N 267.397 4.703 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)s2)C1 83776177 MSNBPGPEYHIZNI-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86899864 JQESKRFIYKPWDV-OCCSQVGLSA-N 276.811 4.982 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc3c(c2)CCC3)C1 87972534 PEDVASJHLZXGBT-DNVCBOLYSA-N 267.416 4.828 30 10 CJEE N#CCCCOc1cccc(NCC2CCCCCC2)c1 89559788 HHLJGIGPNVAIHR-UHFFFAOYSA-N 286.419 4.751 30 10 CJEE CC[C@H]1CC[C@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876025 WZPFOVOJXCFILJ-JWFMREHNSA-N 277.452 4.674 30 10 CJEE C[C@H](OCCCCCCCCCS)C(F)(F)F 97799844 NPGMNEUXZCGYLW-NSHDSACASA-N 272.376 4.614 30 10 CJEE C=C(C)COc1cccc(CNCCCCCCC)c1 100126312 YCVOHOATAZQIMP-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE C#CC[C@@H](CCC)c1ccc(OCC(C)C)cc1C 107615666 DPIBWQCPWZZDHL-INIZCTEOSA-N 258.405 4.937 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccccc1F 109705319 ZCOFONLLNNWIGA-INIZCTEOSA-N 251.389 4.750 30 10 CJEE CCCCCCCCOc1cc(CNC(C)(C)C)ccn1 110157870 YRKZMGQUJPVFQP-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE CCc1cccc(CC)c1N[C@H]1CCCCC[C@H]1C#N 110168382 PGWFPTSBOJBHLE-IRXDYDNUSA-N 270.420 4.696 30 10 CJEE CCCCCCC[C@](C)(Nc1ccccc1)C(=O)OCC 110318750 OVDKXUAHPCBPJS-SFHVURJKSA-N 291.435 4.781 30 10 CJEE CCCCCCCC[C@H](N)c1cc(OC)c(OC)cc1F 115857241 HZYMFPKIXXDVTF-HNNXBMFYSA-N 297.414 4.593 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](CC)OC 124705971 ZMPFQMJBURVCST-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCN[C@H]1CCCSC1 124759649 MNTXNFCNLANSJH-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CCCCCCCCCCC[C@@H](NCC)c1cnn(C)c1 126263940 QGCMKPUJHLAIQY-GOSISDBHSA-N 293.499 4.992 30 10 CJEE CC(C)c1ccc(CNc2cc(C#N)ccc2Cl)cc1 127784312 LEXNFKQYIGZSDS-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE CCCCCCCCCCC[C@@H](CCCC)NN 130094065 FDATYHHTNKXPQB-MRXNPFEDSA-N 256.478 4.929 30 10 CJEE CCCCCCCCNC(=O)c1ccccc1NCCC 132223999 VRPJXMNKOIUKKP-UHFFFAOYSA-N 290.451 4.599 30 10 CJEE Cc1cc(Oc2cc(Cl)cc(Cl)c2)ccc1C#N 133509299 HWNKVYAGNXEOFH-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)OC)NCC 134473286 BOLUDMGKOMGRFT-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCn1ccc2c1CC(C)(C)C[C@@H]2O 147325979 OWOCTRCXCLJNGH-KRWDZBQOSA-N 277.452 4.854 30 10 CJEE CCCCCCCCn1ccc2c1CC(C)(C)C[C@@H]2N 147328427 SDYIARRKJWUGJD-INIZCTEOSA-N 276.468 4.821 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 156093194 YBEBEJUJHRELHT-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CCCCCCCOc1cc(F)ccc1Br 160254235 XNDVMBISAHIEMT-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE CC#CCC[C@H](NCCC)c1cccc(C(F)(F)F)c1 168058995 LVEIIQTXGMVGHC-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc2ccccc2c1 168118999 YWDVMNPAXCAMNB-IBGZPJMESA-N 265.400 4.684 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)cc2F)C1 222274290 UTCSODOZCOBBIA-ZETOZRRWSA-N 281.371 4.775 30 10 CJEE CC[C@@H]1CCCN1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222790681 FTQSBHWFWNMLGT-YYIAUSFCSA-N 276.468 4.605 30 10 CJEE CC1CCC(C#N)(Cc2cc(Cl)ccc2F)CC1 231191078 NEJTWVBAHBNSJG-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE C=CCSc1ccccc1NCCCCSC 231726805 HLYKHLSGAOGEKC-UHFFFAOYSA-N 267.463 4.520 30 10 CJEE CCCCCCCCCC[C@H](O)C1[C@H]2CCC[C@H]12 231991459 AANWTCQKMKJXHT-JYJNAYRXSA-N 252.442 4.924 30 10 CJEE C=CCCCCCOc1ccc2ccccc2c1C=O 232587276 RFBVBMOSNQEUNI-UHFFFAOYSA-N 268.356 4.778 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](C)c1ccccc1 233603512 NXBRBUBQUWJUNA-FUHWJXTLSA-N 259.437 4.905 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)ccc1Cl 236197844 BRJMWXUSVQOTPI-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE C=CCCCCC[C@H](O)C12CC3CC(CC(C3)C1)C2 236534405 CBPLZMKUENSBRY-LESVLKBLSA-N 262.437 4.700 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1O 250800454 CKOIMAWZQAQUQU-GVDBMIGSSA-N 284.484 4.939 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O 253101576 XMDQYZMPCQRFCB-IPMKNSEASA-N 295.511 4.753 30 10 CJEE COc1ccc(N=Cc2ccc(-c3ccc(F)cc3)o2)cc1 254394980 BUGWQRZGRJAGNC-UHFFFAOYSA-N 295.313 4.845 30 10 CJEE CCCCCCCCCCNc1cc(C)nc(C#N)c1 308275334 FKGHTUWTBNCINU-UHFFFAOYSA-N 273.424 4.814 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H](OC)C12CCC2 308332345 FDFLXPHMUWRRAP-AEFFLSMTSA-N 282.468 4.837 30 10 CJEE CC(C)(C)CC[C@](C)(C#N)Nc1cccc(Cl)c1 310885657 WFFKOLHOFZFLIG-OAHLLOKOSA-N 264.800 4.860 30 10 CJEE N#Cc1sc(Nc2ccc3sccc3c2)nc1Cl 311049086 QJCPOEVNJTVQNE-UHFFFAOYSA-N 291.788 4.626 30 10 CJEE C=CCC(C)(C)CNC1CC(c2ccccc2Cl)C1 311690487 KHJNQOQBJIJVQO-UHFFFAOYSA-N 277.839 4.778 30 10 CJEE CC(C)CNCc1cccc(SCC#CC(C)(C)C)c1 312290792 KOKKSLKDMWPMFF-UHFFFAOYSA-N 289.488 4.574 30 10 CJEE CO[C@H]1CCC[C@@H](C2(C#N)CCC(C(C)(C)C)CC2)C1 312731536 WCSJJIPGMJYTNE-NDUQDZPOSA-N 277.452 4.938 30 10 CJEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCC[C@H]1C 314475702 BAIYBJAOUYVTGP-IUODEOHRSA-N 292.220 4.630 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC[C@@H](C)C2)C1 317339203 RFSTZDMHJSOCPY-QBPKDAKJSA-N 250.426 4.988 30 10 CJEE CCC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 324030860 OSWMKFFZYVJYCG-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE CC(C)(CCC#N)CN[C@H]1C[C@H](c2cccc(Cl)c2)C1 369724541 XMLOKSWILXRTNC-KOMQPUFPSA-N 290.838 4.506 30 10 CJEE CCCCCCCCCCCCNC[C@](C)(O)C(C)C 383298166 PIZAUCGEWYPIEP-SFHVURJKSA-N 285.516 4.904 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(C)cc1C 383529156 LTXHKSLLFAYRQN-GOSISDBHSA-N 271.448 4.784 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1sccc1Cl 384033852 TWJNFSZBQLDYLW-CQSZACIVSA-N 271.857 4.524 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/N[C@H](C3CCCCC3)CS2)CC1 386097455 HEABVLAMFHAMSG-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCC=C(Cl)C2)C1 404399571 FLGHMUOALZXZCP-SQWLQELKSA-N 294.870 4.559 30 10 CJEE CCCCCCCCCCC(=O)CNC(=O)OC(C)(C)C 405578952 NAYFMMGWUFFKPN-UHFFFAOYSA-N 299.455 4.611 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CCC)[C@@H]1CCc2ccccc21 464533943 JLSWREJIQYRHSS-MAUKXSAKSA-N 285.431 4.515 30 10 CJEE C=C(C)C[C@H](C)c1nc(-c2ccc(C(C)(F)F)cc2)no1 579695874 CCOYOBRWGWVOEO-NSHDSACASA-N 292.329 4.918 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 686708426 DSSRFPWIFSYIDU-MLHJIOFPSA-N 261.453 4.504 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccsc1Cl 688008600 XTZHNTGTOQERAI-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCc1ccc(CC)c(Nc2cc(C)ccc2C#N)c1 689598218 WLXXDJPUMYGJIC-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE N#Cc1cc(N[C@H]2CCC23CCCCC3)ccc1Cl 690205669 YLKXYFUORFGXHL-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE C[C@@H]1CCCCC[C@]1(C#N)Nc1ccccc1Cl 691108126 WZWPTVWSWGFSDH-IUODEOHRSA-N 262.784 4.614 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)cc(Cl)c1 692275725 MVPQGDPKZPBLGL-WBVHZDCISA-N 277.839 4.873 30 10 CJEE Cc1ccc(NCc2cccc(Cl)c2Cl)c(C#N)c1 693652433 CXPKBLHFQYXJLH-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)(C#N)CCCC[C@@H](C(=O)O)C1CCCCCC1 696836383 BZUOUNQQDRGSBP-OAHLLOKOSA-N 279.424 4.768 30 10 CJEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CC1 698980654 JXNCORBWUVUFEE-OAHLLOKOSA-N 294.439 4.639 30 10 CJEE CCCCCCC[C@@H](NN)[C@@]1(C)CC[C@@H](C)C1(C)C 699110196 QSFRMZUSSZYUHK-BFYDXBDKSA-N 268.489 4.641 30 10 CJEE CCCCCCCCCCCCNCC1CSC1 700445039 OGIWKJZEDNEXGV-UHFFFAOYSA-N 271.514 4.860 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C)c(C)s1 702037759 SBTFMTUSOCZTPB-NWANDNLSSA-N 278.465 4.545 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCCC[C@@H]1C(C)C 709250938 CFKAXYLJZRAEEC-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C[C@H](N(C)c1ccc(Cl)cc1C#N)[C@@]12CCCC[C@H]1C2 709271910 ZMCGUXSEDROQEX-JDFRZJQESA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCCC[C@@H]1C 710622914 ROQIPEOQTQSSIC-DZGCQCFKSA-N 257.849 4.571 30 10 CJEE C=CCCC(C)(C)Nc1c(F)c(F)c(F)c(F)c1F 717668195 VSZUNKWYDVUWRA-UHFFFAOYSA-N 279.252 4.539 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@H](C)O[C@H](C)C1 724232663 MEDUTAQXVFXELS-BJWYYQGGSA-N 270.457 4.836 30 10 CJEE C=C1CCC(CNc2ccccc2Br)CC1 724550610 UDXOXZJJNMONPS-UHFFFAOYSA-N 280.209 4.607 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](OC)C(C)(C)C)CC1 724571818 VSTYGDUSUZWALN-DLBZAZTESA-N 281.484 4.552 30 10 CJEE C=C1CCC(C[C@H](C(=O)O)c2cccc(Cl)c2)CC1 724584692 YKZQPPLPGAQMPU-HNNXBMFYSA-N 278.779 4.645 30 10 CJEE C=C1CCC(C[C@@H](C)[C@H](C)CNC(C)(C)C)CC1 724615351 DVGFCIMFMVWPOB-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CC/C(=N\OCc1cccc(F)c1)c1ccc(F)c(C)c1 821225882 ROBQWSASYUYUGF-LVZFUZTISA-N 289.325 4.604 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 1127384029 KLSARCJAQSTXKO-KBAYOESNSA-N 285.431 4.636 30 10 CJEE C#CCN(Cc1ccccc1)C[C@@H](C)CC1CCCCC1 1181637990 NSBXMCHJMJKCKY-SFHVURJKSA-N 283.459 4.728 30 10 CJEE C=CCC[C@H]1CCCN1CCCOc1cccc(Cl)c1 1198407695 ZFVXQYVZHMKEIX-INIZCTEOSA-N 293.838 4.540 30 10 CJEE C=CCCCCCN1c2ccc(Cl)cc2C[C@H]1C 1198829219 OWCKHWHHLLWZPX-CYBMUJFWSA-N 263.812 4.837 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(CC(C)C)s1 1271945459 WTSPMCYEKBIWMK-UHFFFAOYSA-N 293.476 4.813 30 10 CJEE C=CCCC[C@@H](NCc1ccc(C)cn1)c1ccccc1 1308041823 YDHUNBWHOKZXCT-LJQANCHMSA-N 280.415 4.577 30 10 CJEE C=CC(C)(C)CCCNC1CCC2(CC1)COC(C)(C)C2 1308510323 RHBGXSXPOXSFKQ-UHFFFAOYSA-N 293.495 4.696 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)CCCCC 1310624569 NNANJAQKSFXWAL-OAHLLOKOSA-N 288.435 4.896 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 1348405160 LBJTXIHRQMXREX-UHFFFAOYSA-N 271.404 4.669 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H](C)c1ccco1)c1ccccc1 1357219714 MCMUVJVRPSZKCU-RDJZCZTQSA-N 297.398 4.597 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(-c2cccs2)c1 1357503077 NORVDLXGFNFSTK-QGZVFWFLSA-N 285.412 4.956 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1 1435621821 PHXHYVDOFGLULG-GZKZCVOOSA-N 297.423 4.585 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@H](C)CC)c1ccccc1 1462500049 ANICCCTYFLUOBB-WBVHZDCISA-N 273.420 4.636 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc2ccccc12 1465200190 WMRZWISDGYTZST-UHFFFAOYSA-N 282.387 4.706 30 10 CJEE C=CC[C@H](CC)NC(=O)NCC1CCC(CCCC)CC1 1468240322 RXEAFXYTIRKAPP-JCYILVPMSA-N 294.483 4.637 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC(C)(C)c2ccc(Cl)cc2)C1 1473949968 KJWMXUXUZIOXSP-PBHICJAKSA-N 291.866 4.952 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@H](C)C[C@@H]2C)CCCC1 1474626744 ZTXLRUSEMNDSDA-YESZJQIVSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C(=O)N[C@H](C)CC1CCCCC1)c1ccccc1 1524843010 DYRXQTUPGFSRNA-APWZRJJASA-N 299.458 4.821 30 10 CJEE C=C(C)CCC(=O)N(c1ccc(F)cc1Cl)C(C)C 1529206523 OUPPYXDHVBNTLY-UHFFFAOYSA-N 283.774 4.577 30 10 CJEE C=CC(C)(C)CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 1532203798 MOZAAJXFCKPQOR-WBVHZDCISA-N 285.431 4.589 30 10 CJEE C=CCC1(CNC(=O)C[C@H](CC)c2ccccc2)CCCC1 1532544068 PEONJKDFDNZDIL-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=CCCCCCSc1ncc(-c2ccccc2)[nH]1 1559358288 FQGYETUZLDLRER-UHFFFAOYSA-N 272.417 4.915 30 10 CJEE C=C(C)[C@H](NC[C@H](C)C(C)(C)C)c1ccc(F)c(F)c1 1559766490 JBSOQGKOJXHGCB-LRDDRELGSA-N 281.390 4.854 30 10 CJEE C=CCCC[C@H](N[C@H]1CC[C@H](C)SC1)c1ccccc1 1560572468 OBQLTRSKVGIGDE-SZMVWBNQSA-N 289.488 4.958 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@@H]1CCC2(CCCCCC2)O1 1620642483 WZYIGNNPZXCXPB-MSOLQXFVSA-N 291.479 4.689 30 10 CJEE 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CCCC[C@H](CC)CSc1c(C)ccnc1C#N 2263778960 BQXSQUXNLDQTIT-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CC2(CCCC2)C1 2265227331 OWNOQAZNAVZCIA-DLBZAZTESA-N 261.453 4.681 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C#N)CCc2ccccc21 2265723419 BBBUDHXRBCCJEI-QGPMSJSTSA-N 253.389 4.611 30 10 CJEE C[C@H]1C[C@@H]1CCCCCC1(C=O)CCC(F)(F)CC1 2269472460 XTTOQWLUZPKKLA-KBPBESRZSA-N 272.379 4.988 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCCC[C@H]1C[C@@H]1C 2269483130 VNXZPDNKUMXDEJ-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@H]1C(F)(F)F 2271782395 XMHAHEKNVGNNAP-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=CCCCS[C@@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2274478962 FRUSLLNUYGPCNJ-LSDHHAIUSA-N 283.525 4.879 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1scc(C)c1C 2276775251 DFEWYQYJCYEBJN-OAHLLOKOSA-N 281.465 4.518 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)c(C)s1 2276795484 AKKLNTOGVJQUSL-HNNXBMFYSA-N 283.481 4.742 30 10 CJEE C=C1CCC(C[C@H](OCCN)c2cscc2Cl)CC1 2277033321 BTPYFGYKKHYKAO-HNNXBMFYSA-N 299.867 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2342468393 IIGRGFCXCZSGGW-GOSISDBHSA-N 254.373 4.640 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1C[C@](C)(C#N)c1ccccc1 2343372153 RULLXTBISJXSLK-QILLFSRXSA-N 255.405 4.930 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc(C(C)C)c2)CC1 2343605317 FGLMTULEVVWUJA-GOSISDBHSA-N 257.421 4.946 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1csc(C(C)(F)F)n1 2344338761 CKHCISQZNVQJPD-LLVKDONJSA-N 288.407 4.508 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCCC 2344340840 WESRVSNRJWAHTG-NNPSNHGLSA-N 261.453 4.559 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]1(C)CCCCC1(F)F)NC 2344345931 YTUXNBPBOXVCMZ-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cccc(F)c1F 2344378672 VTTQYSQWBPSMPO-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC#CC(C)(C)C)NCCC 2344381216 USYFSAKBBQSEJR-FUHWJXTLSA-N 263.469 4.787 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccnc(C(C)C)c1 2353643977 YAHOLVNOAQOSHR-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CCCCCCCCCCO[C@@]1(CN)C[C@@H]2CCC[C@@H]21 2357509053 IFZIGHLHLXFACV-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)Sc1c(CN[C@H](C)CC)ccc(F)c1F 2360363358 IFFTYSNVEYQPGA-NEPJUHHUSA-N 299.430 4.910 30 10 CJEE CCCCC#CCCCCCCO[C@H]1CCCCO1 5510181 GLOAELLLVHZEDW-QGZVFWFLSA-N 266.425 4.674 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154047 RSEFWECIHOGWSZ-UHIISALHSA-N 265.809 4.760 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155813 ZURRWDYHLKRELC-RWMBFGLXSA-N 280.462 4.652 30 10 CJEE CCc1c(-c2ccc(Cl)cc2Cl)sc(C#N)c1N 44273738 RNHCLDFYFXKMBY-UHFFFAOYSA-N 297.210 4.738 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2ccc(F)cc2)c1C 57685615 SMAFCJREEHUHTH-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2cccc(F)c2)cc1 57750241 MQXGADRLFTUISN-KRWDZBQOSA-N 267.347 4.799 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)C[C@H](C)O2 59191591 YNNUILLJQRHYMB-ZDUSSCGKSA-N 260.377 4.553 30 10 CJEE CCCCOc1cccc(-c2cc(C#N)c(C)s2)c1 77094585 TWHFHJFGCNJLMO-UHFFFAOYSA-N 271.385 4.774 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C#N)c1ccccc1 80799617 HIGVSNAIAUASGA-RHSMWYFYSA-N 298.817 4.640 30 10 CJEE C=C(Cl)CSc1cccc([C@H](C)NCCC)c1 84126171 LMIJYMKBGJHMPB-LBPRGKRZSA-N 269.841 4.592 30 10 CJEE C[C@H]1CC(Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)C1 84961045 HBIDEYYLQFZYKI-GHMZBOCLSA-N 297.320 4.781 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2c(Cl)c(C)nn2CC)C1 89306192 CJKOTZUFHSBHEI-CJNGLKHVSA-N 293.842 4.518 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 89521051 FNUYYOVZFYYEEO-BHIYHBOVSA-N 297.442 4.528 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cccc(C2CC2)c1 94521351 BXBYTJBGEMBJEB-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccccc1C1CC1 94527881 SWLVAZUBEPOAMC-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE CCC[C@@H](CS)COc1cc(C)ccc1C(C)C 94582745 WZNKWZBDURZLBY-CQSZACIVSA-N 266.450 4.843 30 10 CJEE CC[C@H]1CC[C@@H](C)N1CCCCCCCCCS 97799559 NIIHPSDFVBAVPC-CVEARBPZSA-N 271.514 4.910 30 10 CJEE CCCCCCCOc1ccccc1CNCCCC 100047730 VKMNIUGHCVWAKV-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCCCNCc1ccccc1N1CCCC1 105807725 WSXNIHFGOQTLOO-UHFFFAOYSA-N 288.479 4.737 30 10 CJEE C#CC[C@H](CCC)c1cc(C(F)(F)F)ccc1OC 107474195 SFFYAYPANZGADZ-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CCCC#CCCc1c(OC)cc(C)c(Cl)c1C 107626159 QSOMAIDCKXFNKT-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCCCCC(CCCCC)N[C@H](CC)CC#N 109954874 XFRFEJNQCOFKCU-OAHLLOKOSA-N 252.446 4.797 30 10 CJEE O=CC1(CN(C2CCCCC2)C2CCCCC2)CCCC1 110118266 WRCVZMZZVUCKMW-UHFFFAOYSA-N 291.479 4.713 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1ccccc1F 110917509 XUFRUYOHVBPQKY-MRXNPFEDSA-N 279.443 4.954 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@H](CCC)CC1 112756904 HZRAIKFGZGGXOK-OALUTQOASA-N 296.543 4.967 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@]1(C)C1CC1 114058046 DGHZRNRHUBPLLU-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@H]1[C@@H](C)CC 114349110 VHXSOFIWHGLARZ-KSZLIROESA-N 296.543 4.691 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OC)cc1OC 115855703 MZDOERZRXDYKQF-KRWDZBQOSA-N 293.451 4.844 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NC)C12CCCCC2 117341614 RIPFXVGORXTLIK-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1n1c(S)nc2ccc(C#N)cc21 125086553 CWMFPUPNKWSGOO-ZFWWWQNUSA-N 299.443 4.584 30 10 CJEE CCCCCCCCOCC[C@H]1CCC[C@@H]1NCCC 126489261 HHSPRIFWSGSBMP-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCNCc1nccn1CCC 129313388 RYHMVMGRVOOQPD-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCCCCn1nc(CC)c([C@@H](C)O)c1CC 131218689 SOFHSMDXBZZJIZ-OAHLLOKOSA-N 294.483 4.812 30 10 CJEE CCCCCCCCn1nc(CC)c(C(=O)CC)c1CC 135534567 YAIILYWBUMLNBC-UHFFFAOYSA-N 292.467 4.961 30 10 CJEE CCCCCCCCCC[C@@H](O)c1snnc1CC 135558568 LQIMXOPMIXWHGL-CQSZACIVSA-N 284.469 4.665 30 10 CJEE CCCCCCC[C@H](N)[C@H]1CCCc2sccc21 139574627 JCKGLQFJSCEVCF-ZFWWWQNUSA-N 265.466 4.856 30 10 CJEE C=C(C)CCOc1ccc(Br)cc1C(C)C 164431595 YDJLUBQIMSZYIJ-UHFFFAOYSA-N 283.209 4.918 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(N)cc(F)c1 166429548 KFKXWCBHKHULEM-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 168957666 ZUJDOWZOVDRGEZ-YGRLFVJLSA-N 282.309 4.568 30 10 CJEE C=CCCC[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 227672843 VDBICZPNAMJSLA-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE C=C(C)C[C@@H](NCCC)C1(CC(C)C)CCCC1 229735202 ZTUYJKPLHHSBTJ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CC(C)(C#N)CCCCOc1cccc(Br)c1 232521286 DYFONHVSPLLKED-UHFFFAOYSA-N 296.208 4.548 30 10 CJEE CCCC[C@H](CC)CNc1cccc(SC)c1C#N 233048859 VIRZPYRGTUTWAI-ZDUSSCGKSA-N 276.449 4.908 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccc(Cl)cc2)cc1Cl 235900201 KHPCXUZERAMOLF-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CCCCN(CCCC)[C@@H]1C[C@H](CC)CC[C@H]1C#N 252432752 AIGDDMOTACVGRT-IXDOHACOSA-N 264.457 4.607 30 10 CJEE N#C[C@@]1(C[C@H]2CSc3ccccc32)C[C@H]2CC[C@H]1C2 252811374 GSGDDYSTWRSSOL-WSMBLCCSSA-N 269.413 4.596 30 10 CJEE CC1(C)Oc2cc(C3(C#N)CCCCC3)ccc2S1 260534314 MLIVOESTLHRJAZ-UHFFFAOYSA-N 273.401 4.633 30 10 CJEE N#CC[C@@H](c1ccc2[nH]c(C(F)(F)F)cc2c1)C1CC1 260656189 VAKAHEVZXILHON-GFCCVEGCSA-N 278.277 4.594 30 10 CJEE N#C[C@]1(C[C@@H]2CCCC(F)(F)C2)C[C@H]2CC[C@H]1C2 302324360 CMNQVIQTXVWVPT-XDQVBPFNSA-N 253.336 4.532 30 10 CJEE C=CCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCCC 312423945 ZDELGUBCJMNAND-OKZBNKHCSA-N 289.488 4.610 30 10 CJEE CC1(C)CCC(C)(C)c2cc(C3=CCCC3=O)ccc21 312727376 GLZZZZNPPVWNFW-UHFFFAOYSA-N 268.400 4.782 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCCC[C@@H]2C)c(Cl)c1 316835535 SHDVQNLYQWOCFE-XJKSGUPXSA-N 264.796 4.586 30 10 CJEE CCCCCCCCC[C@@H](CNC(C)C)OC(C)C 318334974 SVCNXMVCEIDXOZ-KRWDZBQOSA-N 271.489 4.919 30 10 CJEE N#CC1(C[C@@H]2CCCC(F)(F)C2)Cc2ccccc2C1 382681277 BYKBNLLVXJXXDY-ZDUSSCGKSA-N 275.342 4.511 30 10 CJEE CCc1csc(SCC(CC)(CC)CS)n1 382963968 PNVGWDCFJUGYQQ-UHFFFAOYSA-N 275.508 4.534 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@H](C2CCCC2)CS1 386422414 YOBQIBQCMHMYEL-GJZGRUSLSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](CCSc1ccccc1)CNCC(C)C 386946669 IBTRGMVNGPZNQO-MRXNPFEDSA-N 277.477 4.607 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 393809214 YWODINZJUZZNAB-OKUQKKEKSA-N 261.453 4.536 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2sccc2Cl)C1 394086612 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CCCCCCCCCC[C@@H](O)CCCCCNC 2127810943 HZTRLFPRNKTFGO-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@H](O)c1ccc(C(C)(C)C)s1 2127921754 NLSJKUKLFWELPN-GDBMZVCRSA-N 279.449 4.655 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCC(F)(F)CC1 2128476085 QCLHCAGCPVJKLR-IHRRRGAJSA-N 265.347 4.698 30 10 CJEE C=CCC(C)(C)OC(=O)CCSc1ccccc1Cl 2130722134 DZWBIYKAKXLCGO-UHFFFAOYSA-N 298.835 4.720 30 10 CJEE C=CC1(CNc2ccccc2C(F)(F)F)CCCC1 2132973218 FSOIVDFWZMNXRX-UHFFFAOYSA-N 269.310 4.864 30 10 CJEE C=CCCCCCNC[C@H]1C[C@@H]1C1CCCCCC1 2135361502 GSFOUYVHJTYELX-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE N#CC1(C[C@H]2C[C@H]2C2CCCC2)CCC(F)(F)CC1 2135736949 BLKUBTBUEFTKTG-KGLIPLIRSA-N 267.363 4.922 30 10 CJEE CCCCCCC[C@@H]1NC[C@]2(CCCC(C)(C)C2)O1 2136806269 KKNPKGNKOGEFMB-NVXWUHKLSA-N 267.457 4.632 30 10 CJEE CCCCCC#CC[C@@]1(O)CCCCC12CCCC2 2138948720 VXTDEOUNGSXYAQ-GOSISDBHSA-N 262.437 4.826 30 10 CJEE CCCCCC#CC[C@H](NC)c1c(F)cccc1Cl 2139000969 JLSOUYPMZPIQCM-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE C=CCCCCCC[C@H](NC)c1c(C)oc(C)c1C 2141911843 UBJTVZNXFKSNDZ-INIZCTEOSA-N 263.425 4.992 30 10 CJEE C=CCCCCCC[C@@H](NN)c1cccc(C)c1Cl 2141917244 SZJBYSTXURUHJY-OAHLLOKOSA-N 280.843 4.679 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CC[C@]2(C(C)C)C[C@@H]12 2141922244 GKNURCSNICNMHX-RCCFBDPRSA-N 263.469 4.879 30 10 CJEE C=CCCCCCC[C@H](N)CCCc1ccccc1 2141924572 VQXBSBDNAGTJDA-SFHVURJKSA-N 259.437 4.863 30 10 CJEE CC[C@@H]1CCC[C@@H](N=C2N[C@H](C3CCCC3)CCS2)C1 2143553631 XBAYHTRYUYPHAC-BMFZPTHFSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(Cl)cc1C)NN 2144170523 KSNDJBLFGGQWGL-QGZVFWFLSA-N 296.886 4.773 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CCC(F)(F)CO2)CC1 2145051662 WQJNMWKNLHFLFX-SHARSMKWSA-N 285.378 4.691 30 10 CJEE O=C[C@@]1(C[C@H]2CCCc3ccccc32)CCC(F)(F)C1 2146863130 FJHUYVJQVRGVPF-GDBMZVCRSA-N 278.342 4.501 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCc3ccccc32)CCC(F)(F)C1 2146987829 XSLKKFLFXMYPDJ-GOEBONIOSA-N 275.342 4.826 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)CCC(C)C 2148624325 HMUUTIRJZHBLQN-ROUUACIJSA-N 285.516 4.902 30 10 CJEE CCCCCCCCCCCCN1CC(C)(C)[C@@H]1CN 2148958141 KUYSBOFNMQCTPX-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE C=C[C@](C)(CC1CCC(C(F)(F)F)CC1)C(=O)OCC 2148988881 GQZXDIGIBKOTPE-ORHYLEIMSA-N 292.341 4.501 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)c1ccccc1Cl 2149851967 YDHRAEPMCIBWAP-SFHVURJKSA-N 289.850 4.964 30 10 CJEE O[C@]1(CC#CC2CCCCC2)CC[C@@H]2CCCC[C@H]2C1 2149856558 ZHBJKHIWWGLFAM-GBESFXJTSA-N 274.448 4.682 30 10 CJEE CCCCCCCCN=C1N[C@]2(CCCC2(C)C)CS1 2150554758 GREWTCWJYQZIHO-QGZVFWFLSA-N 296.524 4.988 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc2cccnc2c1 2151618039 WNSBLTFNGKXWNK-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@]2(C1)CC2(F)F 2156151796 URNZKHLXLMFLTL-VGWMRTNUSA-N 285.422 4.782 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccnc(C3CC3)c2)CC1 2157110038 BXHGTNYHCZCWRR-SFHVURJKSA-N 268.404 4.711 30 10 CJEE C#CCCCCCC(=O)c1ccc(Cl)c2cccnc12 2163973025 UUVMAVRMOJBUIT-UHFFFAOYSA-N 285.774 4.655 30 10 CJEE C=C(C)CC[C@@H](NC)c1csc(-c2ccc(F)cc2)n1 2164163690 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N#CC1(C[C@H]2CCC3(CCC3)CO2)CCC2(CC1)CC2 2176615923 VDRXBBPTJDKWFD-OAHLLOKOSA-N 273.420 4.590 30 10 CJEE N#Cc1sc(-c2ccccc2-c2ccccc2)cc1N 2179265753 GZDJKDBIQRIWDZ-UHFFFAOYSA-N 276.364 4.536 30 10 CJEE CC1(C)CC=C(C(=O)c2cc3ccccc3cn2)CC1 2181665876 DQORELBFFMWQKN-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccc3ccccc3c2)C1 2182156974 ANUWXIBKRXSEFY-LJQANCHMSA-N 265.400 4.847 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2ccc(F)c(F)c2F)C1 2182158323 QSAGPVCYQNFUGJ-CQSZACIVSA-N 283.337 4.501 30 10 CJEE C=C1CC(C[C@@H](NCC(C)C)[C@H](C)c2ccccc2)C1 2182165912 OKUNVCHBMNPNHB-VQIMIIECSA-N 271.448 4.761 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1 2183411164 MGEXIUIASQGBAV-XMTFNYHQSA-N 275.480 4.927 30 10 CJEE CN(CC12CCCC1CCC2)c1ccc(C#N)cc1Cl 2183798520 XFLCDBWFJAYCFY-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CN(CC12CCC(CC1)CC2)c1cc(Cl)ccc1C#N 2185000033 AWPDHXHKCIWVKC-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CC(F)(F)c1ccc(Oc2cc(Cl)ccc2C#N)nc1 2186491219 RVCXBZULDNMGRM-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CCCN[C@H](C)c1cc(-c2ccc(C)c(C#N)c2)cs1 2186536733 ZEJOTHLZKXSJQX-CYBMUJFWSA-N 284.428 4.656 30 10 CJEE C=CCC(C)(C)Oc1ccc(F)cc1[C@H](C)NCCC 2187296726 ZPVDZLCJSHSUFZ-ZDUSSCGKSA-N 279.399 4.620 30 10 CJEE CCCNC[C@@]1(CC#C[Si](C)(C)C)CCC[C@H](CC)C1 2187468119 LDURQAYACIAJGN-ZWKOTPCHSA-N 293.571 4.844 30 10 CJEE CCc1ccc(C#N)c(N2CCC[C@@H]2c2ccsc2)c1 2188841816 YTKCGBBVLXWVLF-MRXNPFEDSA-N 282.412 4.524 30 10 CJEE C=CC1(CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 2189503084 IDQZSIFCIRZFJQ-UHFFFAOYSA-N 298.745 4.546 30 10 CJEE CCCC1(CN(C)Cc2ccc(C#N)cc2Cl)CCC1 2189672284 NJGYKISQJFUCLU-UHFFFAOYSA-N 290.838 4.614 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H](CC)c1ccccc1 2194058985 LBLFVKKEKLXXCZ-RBUKOAKNSA-N 271.448 4.742 30 10 CJEE CC#CCCC[C@@]1(CNC(C)(C)C)CCCCC12CC2 2194062240 CPULMMNJDNQCEW-IBGZPJMESA-N 275.480 4.909 30 10 CJEE C[C@@H]1CC[C@]2(CSC(=N[C@]3(C)CCCCC3(C)C)N2)C1 2194676309 DDCCDALVYPJSLN-KBRIMQKVSA-N 294.508 4.597 30 10 CJEE C=C(CN1CCCC[C@H]1c1ccco1)c1ccccc1 2195524602 JZYWVGBXLJLXEP-KRWDZBQOSA-N 267.372 4.520 30 10 CJEE CCCCCCCCCN1CCO[C@H](c2cccs2)C1 2195535661 RMBCIMVYOQJOLE-INIZCTEOSA-N 295.492 4.872 30 10 CJEE CCCCCCCN(C)[C@@H](CNCC(C)C)CC(C)C 2196697027 ZOSBLUPZUKYAIR-GOSISDBHSA-N 284.532 4.549 30 10 CJEE CCCCCCCCN(C)CC1(N)CCC(CC)CC1 2196736114 DVOCDAXNUDVYNW-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@@H]1CCCC[C@H]1C)C1CC1 2196850777 XBIDNFSKINJINX-OWYHZJEWSA-N 275.480 4.621 30 10 CJEE C#CC[C@@H](C)CC1(CNCC(C)C)CCC(C)(C)CC1 2196854602 PDTDYSCGWHKFKN-QGZVFWFLSA-N 277.496 4.868 30 10 CJEE C#CC[C@H](C)C[C@H](N)c1ccc(-c2ccc(F)cc2)s1 2196854989 BKSHPLZYFUHYLI-WFASDCNBSA-N 287.403 4.604 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H]1CC2CCC1CC2 2197137102 LEGSAXOUKTUDQM-JDGDGYACSA-N 269.432 4.504 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C1CC(CCC)C1 2197140206 QSHZPHRIIPAZLU-NKELODKYSA-N 271.448 4.894 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccccc1CC(C)C 2197152535 AOSAYQGTLRBXML-LJQANCHMSA-N 265.400 4.598 30 10 CJEE CC[C@@H](Nc1ccc(C)c(C#N)c1)c1cccc(C)c1 2199341845 UXMWOFAVBGRILH-GOSISDBHSA-N 264.372 4.738 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1C[C@@H]1c1ccccc1 2200382961 RCWFIEOLRJSRKY-YQVWRLOYSA-N 270.416 4.966 30 10 CJEE CCCCCCCCCC(=O)C1(N)CCC2(CC2)CC1 2202408021 LPSPXMIJZQEVIL-UHFFFAOYSA-N 279.468 4.748 30 10 CJEE CCCCCC#CC[C@@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 2203750889 KJEZVZFCCHNEIT-MAQDGTSESA-N 274.448 4.538 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)C1CCCCCCC1 2206896180 BDNKXAKXFCJKCB-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCC[C@H](COc1ccccc1)NCC 2206902470 KOBBTLBQVFAZLJ-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C)OCC[C@@H]1C 2207377316 MWIRPFRYGBFXAT-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCN1CCO[C@@H](CC(C)C)C1 2207386764 XQFCEEVXAQURLE-SFHVURJKSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@@H]1C 2207397871 WKFGUEGCYLCUNH-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCNC[C@H]1CC[C@H](C)CO1 2207403975 LRABUPCNXDQNPR-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](C=C1CCCCC1)NC 2207445773 CPRORWKURXMKAF-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCC(C)C)NCCC 2207450250 RJWIXWTXTVPOAK-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](CN)N(C)CCC1CCCC1 2207470206 QVBYEXTUPZHJPT-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCCC2CC2)C1 2214548497 CMPXZYOWQDTSID-QLFBSQMISA-N 251.439 4.628 30 10 CJEE CC1(C)CCC(C=O)(C[C@@]2(Cl)CC2(C)C)CC1 2216097608 RBHMYPGTAZYMJU-HNNXBMFYSA-N 256.817 4.570 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@@H](C)C1 2220098572 XDUMCSIOYDWQCO-IAGOWNOFSA-N 251.458 4.881 30 10 CJEE CCCCCCC[C@@]1(CNC2CCC2)CC1(C)C 2223564684 XPYGWTHZLKMXCB-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCCC[C@](C)(CN)OC 2223571283 FZFMKXMRWLSKOX-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC[C@H]1C(F)(F)F 2224366060 DOOKDCGFKRNSCC-MCIONIFRSA-N 279.390 4.914 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1ccc(F)c(Cl)c1)NCC 2225124576 JRYZAVAGZXSEBZ-BLLLJJGKSA-N 283.818 4.602 30 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C=CCCCCCCC[C@@H](NN)[C@@H]1CCCCC1(F)F 2235534779 JSROASVDGCVWPY-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CC[C@@H](C(C)C)C1 2235536834 YNNQWWNEEHCBSL-SJLPKXTDSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ccncc1F 2235537701 DRBNRVRXOJHULX-KRWDZBQOSA-N 278.415 4.788 30 10 CJEE CCCCCCCCCOCc1ccc(N)c(OC)c1 2239486628 IPMTUMJOXCMZDD-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE CC[C@](N)(C#Cc1cccc(Cl)c1)CC1CCCCC1 2239563833 PIJHYNCXFSWZKZ-SFHVURJKSA-N 289.850 4.769 30 10 CJEE CCCC[C@H](C#Cc1ccc(CCC)cc1)NCCC 2239721142 CFUKXLCRPOOFIW-LJQANCHMSA-N 271.448 4.549 30 10 CJEE CCCCCCCC[C@@H](C)NC1Cc2ccccc2C1 2240666338 LWPYRDMVQLOOOL-MRXNPFEDSA-N 273.464 4.883 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1coc2ccccc12 2241138221 GIMSDDZQAWMYEC-AWEZNQCLSA-N 271.404 4.556 30 10 CJEE C=CCCSCc1cc(Br)ccc1Cl 2241927452 GKANIFAHMNGQKA-UHFFFAOYSA-N 291.641 4.912 30 10 CJEE CC(C)(C)C#CC=CCNc1cscc1Br 2243731967 MMNCYLKCHMAFCJ-UHFFFAOYSA-N 298.249 4.528 30 10 CJEE CC#CCCC(=O)c1cc(Br)cc(C(C)C)c1 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4.992 30 10 CJEE C=C1CC(C[C@H](C[C@@H]2CCCCC23CC3)NCC)C1 2264851491 HUSUKYLVFAYSQK-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C=O)CCCC12CCC2 2268744097 XTIHLXHJJUOPHD-GOSISDBHSA-N 258.405 4.522 30 10 CJEE Cc1cccc([C@H](O)CC=CC#CC(C)(C)C)c1Cl 2268828067 YFVBZEPQTYIZIN-OAHLLOKOSA-N 276.807 4.678 30 10 CJEE C=CCCCCCCCSCCC(=O)NC(C)(C)C 2271593734 GSUYPVJPTKPUKM-UHFFFAOYSA-N 285.497 4.551 30 10 CJEE CCCCCCCC[C@@H](O)c1cnc(OC)c(Cl)c1 2271655643 HHVOFRUBCJONHY-CQSZACIVSA-N 285.815 4.528 30 10 CJEE C=CCCCCCCC[C@@H](O)C1CC2(CC(F)C2)C1 2272229867 RIZXJGLOCQXKQP-ONNPGMOUSA-N 268.416 4.792 30 10 CJEE CC1([C@H](O)CC#CC2CCCC2)CCCCCCC1 2274132905 LKQPNRWPHWPUPQ-QGZVFWFLSA-N 262.437 4.682 30 10 CJEE C=CCCCC[C@@H](OCCCN)C(CC)(CC)CC 2276503424 AWDIZGUBHMUKHH-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H](CC)C(C)C 2276574855 IFYGHFIXWJPWMP-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1(C)CCC1 2276642937 URALJPOCKRPKOR-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE C=CCCCC[C@@H](NCC)c1nc2ccccc2s1 2277979558 FLIVRWZCSFRJFE-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2278229720 NEJZRIFWCFFSIR-KHHDSSOXSA-N 263.469 4.760 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)[C@H]1CC12CCC2 2283771638 KNPSSITXUXLFBX-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE Cc1ccccc1SCC(=O)CC=CC#CC(C)(C)C 2284071522 UCBYWOXVZGPZPM-UHFFFAOYSA-N 286.440 4.652 30 10 CJEE C[C@H]1CCC[C@@]1(CC=CC#CC(C)(C)C)CNC1CC1 2284077027 OVBHXOZDGOWBSW-LPHOPBHVSA-N 273.464 4.541 30 10 CJEE C=C1CC([C@H](NCCC)c2nc(C)cc3sccc23)C1 2286155369 XNFONFYMPSNSOI-INIZCTEOSA-N 286.444 4.612 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(OC)c(C)c1 2287414719 QZLPBXGQFCVLDC-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](CC(C)C)CS1 2287885935 QPCACFGHKXZRGJ-HOTGVXAUSA-N 298.540 4.946 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@H](CC(C)C)C(C)C 2289872298 ZUNFDHXGXLVGSO-MOPGFXCFSA-N 277.496 4.867 30 10 CJEE C[C@@H]1CC[C@@](CC#CC2CCCC2)(CNC(C)(C)C)C1 2289898395 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2295534867 WEJSBLQGIQEUNO-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(CC)(CC)C(=O)O 2295582526 DTDDHPUVRJBDNR-MRXNPFEDSA-N 286.456 4.769 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CCC[C@@](C#N)(NC)[C@H]1C 2295710503 HMALODRXNRWKQD-NXOAAHMSSA-N 296.524 4.606 30 10 CJEE Cc1ccc(C(=O)C=Cc2sc(Cl)nc2Cl)cc1 2297511137 ZYQYFOZHTSYYKM-UHFFFAOYSA-N 298.194 4.654 30 10 CJEE C=CC[C@@H](C)Sc1sccc1CNCC(C)C 2298943638 VUXGSVHVFHGJOE-GFCCVEGCSA-N 269.479 4.550 30 10 CJEE CCC[C@](C)(C=O)Cc1ccc(Cl)c(Cl)c1C 2301021873 QZNZFVYCNFRBOC-AWEZNQCLSA-N 273.203 4.850 30 10 CJEE C=C(F)C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2302209450 JUJHKVLNXSVVST-NSHDSACASA-N 280.145 4.656 30 10 CJEE C=C(CC)C[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2302363453 MFOHHHUUIJSJFQ-AWEZNQCLSA-N 272.219 4.610 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)ccc1C 2304040286 DYUJCHSLPBBIEY-CABCVRRESA-N 251.801 4.641 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)c(F)c1 2304124373 CZBZGSRJYSUYPW-ZIAGYGMSSA-N 256.748 4.505 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@]12C[C@H]1[C@H](C)C2 2308838014 CZDCZGSARIBDSA-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CCCCC[C@@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2310188985 RPOWOYJBDFJWOH-LUKYLMHMSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCC[C@@H](NC)C1[C@@H](C)[C@@H]1C 2312118110 SYJUIHAWKZSWCX-HRCADAONSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)OC(=O)CC[C@@H](C)CCCC 2313539950 SFKPTBXDVPJAAT-AWEZNQCLSA-N 252.398 4.657 30 10 CJEE C=CC[C@@H](C)Sc1c(C)sc(CNC2CC2)c1C 2313704463 LDYFIMCWXAZOAX-SNVBAGLBSA-N 281.490 4.674 30 10 CJEE CC(C)[C@@H](CC#N)Nc1cc(C2CC2)ccc1Cl 2316260096 LGVLDKDKXJYCEH-CQSZACIVSA-N 262.784 4.568 30 10 CJEE C=CCC(CC=C)[C@H](O)c1csc2ccccc12 2316708462 BOTPYALXYZZXPH-INIZCTEOSA-N 258.386 4.703 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1(Cl)CCCC1 2318304467 YPJOMKXIPDSOBY-ZNMIVQPWSA-N 269.860 4.651 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2318360037 XYQZOAAYVZCFEE-YMTOWFKASA-N 290.209 4.995 30 10 CJEE C=CCC(C)(C)[C@H](N)C1CCC(C(C)(C)C)CC1 2321130189 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263.469 4.926 30 10 CJEE COc1c(C)cc(C(=O)C2=CCCCCC2)cc1Cl 2337636529 LVRYQMPQUYBXPW-UHFFFAOYSA-N 278.779 4.730 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CCC(F)(F)CC1 2338737529 FCHUHEKYMBKUAV-HNNXBMFYSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cccc(F)c1C 2338749343 IXEYNYNBBMYZQY-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1ccc(F)c(C)c1Cl 2339196013 DQFZUZPETNSCMN-MRXNPFEDSA-N 283.818 4.520 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2340263813 RHJNGFPUZKQRTE-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE C#CCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341114392 KSDVBYSKWZKEKI-INIZCTEOSA-N 298.257 4.708 30 10 CJEE N#Cc1ccc(OCCC2CCCCCCC2)cc1 2342405615 XJRMSGHDFOGUTJ-UHFFFAOYSA-N 257.377 4.688 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2CC[C@H]2C(C)(C)C)C1 2343228312 ASFUBEYWCLRLIN-BRWVUGGUSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCOC[C@@H]1C[C@H](C)CCN1 2343575527 WXPCWETXICORIY-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CC1(CC(=O)c2cccc(C3CCC3)c2)CCC1 2343780756 IROVMQFWZZINKT-UHFFFAOYSA-N 254.373 4.883 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@]1(C)CCCCC1(F)F 2344349497 SZSLVTHYLNIXHH-KKUMJFAQSA-N 273.411 4.912 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCCCOC)NCC 2344383567 IYDNJZXFSRQNOT-DLBZAZTESA-N 269.473 4.554 30 10 CJEE C=CCCCSC1(C(=O)O)CCC2(CCCC2)CC1 2352198389 QHUOYYFSUYYNLC-UHFFFAOYSA-N 282.449 4.644 30 10 CJEE CC(C)C[C@@H](CS)CN(CC(C)C)c1ccccc1 2353835814 OOTKZTHBUXRVRB-MRXNPFEDSA-N 279.493 4.741 30 10 CJEE C=CCC(CC=C)O[C@H](c1ccc(Cl)cc1)[C@@H](N)CC 2360214087 DJKKEBHAOBYFTI-DLBZAZTESA-N 293.838 4.656 30 10 CJEE CC(C)(C)c1ccccc1OCc1cc(C#N)ccc1F 21026572 LUNJISNPLXLGOH-UHFFFAOYSA-N 283.346 4.574 30 10 CJEE C#Cc1cccc(N[C@H](CC)c2ccc(Cl)cc2)c1 21041730 KOEQHYOZWWCAFN-QGZVFWFLSA-N 269.775 4.885 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@H]1SCc1ccco1 37156277 OTRIHLUVBGZYCI-XYJFISCASA-N 297.423 4.989 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2cccs2)cc1 41325853 MIGNFPNNDFTVKK-HNNXBMFYSA-N 255.386 4.721 30 10 CJEE CC[C@@H](CC#N)C(=O)c1cccc(Oc2ccccc2)c1 43368451 ZSVLTJCDYAJIJR-AWEZNQCLSA-N 279.339 4.601 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1ccc(F)cc1Cl 50429951 QLAUXPSXKSKUST-NSHDSACASA-N 288.753 4.832 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N\c3ccccc3Cl)N2)C1 53099249 SMSOFLDPWREIBJ-IAQYHMDHSA-N 294.851 4.613 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)CCCc2ccccc2)c1 57696112 DNMXQLWWBGXCRS-SFHVURJKSA-N 293.410 4.888 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)c(F)c1 59228112 QNQDXVMRMHTEAX-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE CCCCCCCCOc1ccc2cc(N)ccc2n1 59266808 VYHXCMXJSBNOGU-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CCCCCCCN[C@@H](C)c1cccc(OC(F)F)c1 59422872 XLDLPFHNFRPACM-ZDUSSCGKSA-N 285.378 4.909 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2C#N)C1 71132178 BFDAEMCTCCRFLM-RISCZKNCSA-N 263.768 4.559 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 71132217 HVELATUYZLIYTM-WCQYABFASA-N 297.320 4.925 30 10 CJEE SCCCCCCOc1cc(Cl)cc(Cl)c1 87080676 BVLLBRAZHCQEHY-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1ccccc1F 87096305 UYOCKGCXXIDEJM-JTQLQIEISA-N 258.427 4.510 30 10 CJEE CC[C@H](C)SCc1nc(-c2ccc(C#N)cc2)cs1 87140372 FSYSERBWQMLYDE-NSHDSACASA-N 288.441 4.713 30 10 CJEE C=C(C)C[C@@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547317 XDYNWNGFQKFFAK-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CCCC(CS)(CCC)CN(C)c1cccc(C#N)c1 94579532 WCOLTSJRTVQPGV-UHFFFAOYSA-N 290.476 4.511 30 10 CJEE CCCC(CS)(CCC)COc1ccc(OC)cc1 94583031 NPAABDYJWYUVFB-UHFFFAOYSA-N 282.449 4.590 30 10 CJEE CCCCCCCSc1c(F)cc(N)cc1F 104166814 GBPYSBDSYUMVMP-UHFFFAOYSA-N 259.365 4.610 30 10 CJEE CCCCCCCCCn1c(CN)nc2cc(C)ccc21 105501599 WWJMJYNFHGMOPU-UHFFFAOYSA-N 287.451 4.554 30 10 CJEE CCCCCCCCCN1C(=O)CNc2cc(C)ccc21 106593355 XBMGTYONDCVZRS-UHFFFAOYSA-N 288.435 4.504 30 10 CJEE CCCCCCCC(=O)c1cc(Cl)c(OC)c(OC)c1 109709500 CQBZUYVMYNDQPS-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE CCCCCCCO[C@H](c1cccc(Cl)c1)[C@@H](C)N 109987406 WZCWNMQHZSIASV-CJNGLKHVSA-N 283.843 4.715 30 10 CJEE CCCCCCCOc1ccccc1CNCC(C)C 110098470 BZMTVAXYDZDMSP-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCCCCCCCNC(=O)C(C#N)(CCC)CCC 110249063 SVSCULSEVZOOPT-UHFFFAOYSA-N 280.456 4.573 30 10 CJEE CCCCCCCCCN1CCC[C@@H](CNCC(C)C)C1 111610816 AVUWTMFAFHXLCI-IBGZPJMESA-N 296.543 4.695 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C)ccn1 111763138 XTRSZLGOJMLSMF-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1Cc2ccccc21 115556281 CQPLCTXHNNFKAB-MSOLQXFVSA-N 259.437 4.665 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(CC)o1 122678720 ATVBBIKFHVHNOQ-MRXNPFEDSA-N 280.456 4.877 30 10 CJEE CCCCCCCCCCCCNCCOC(C)C 130880377 LZVXYUAQTXSVGU-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2Cl)ccc1C#N 133493692 SBHRURYNGVYITR-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C#CCCC[C@H](NCCC)C1(c2ccccc2)CCCC1 134023323 UJYXVANXROFTDC-IBGZPJMESA-N 283.459 4.670 30 10 CJEE CCSc1cccc(SCc2ccccc2)c1C#N 136988217 VAMXFVXPXWOPBD-UHFFFAOYSA-N 285.437 4.963 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnc(C)cn1 140322503 ZBYGQTNZPICCLZ-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCCN1C[C@H](CCC)NCc2ccccc21 149275358 MVLVLHJVRSIEGM-SFHVURJKSA-N 288.479 4.735 30 10 CJEE C=CCN(CCC)c1ccc([C@H](C)NCCC)cc1Cl 162257272 XFVBKVIFJGIZFS-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE CCCCCCCCCC[C@H](O)C(F)(F)Cl 164031472 AZORHUAIQYWPLJ-NSHDSACASA-N 256.764 4.710 30 10 CJEE C=C(C)CC[C@@H](CSc1ccc(C)cc1)NCCC 164640771 BUSZUADXBXWIKE-INIZCTEOSA-N 277.477 4.812 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 166449757 FXYCIYPEKXNNBR-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCc1cc(Oc2ccc(C#N)cc2C)ccc1Cl 203455121 FLMYHFPOLRIGCU-UHFFFAOYSA-N 271.747 4.875 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)NC1CCCCCC1 222556827 PTEPYQHVVHIEBK-NJAFHUGGSA-N 276.468 4.653 30 10 CJEE CCCCCCC[C@H](N)c1cnc2ccccc2c1 229520441 CBLITBSSVMZVON-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CC(C)C[C@H]1CCC[C@](C#N)(Nc2cccc(F)c2)C1 230779423 RTMXZYUAKSTQGM-PBHICJAKSA-N 274.383 4.736 30 10 CJEE CCCCCCC[C@H](NC)c1ccoc1Br 232928204 KHUYSPVEDXBLEQ-LBPRGKRZSA-N 288.229 4.663 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@@H]1SCC 232939149 CPBNMWQXYBZQSQ-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(F)c2ccccc12 233162193 KIUKWNAPGXDDNP-GOSISDBHSA-N 271.379 4.986 30 10 CJEE CC[C@@H]1CCC[C@@H](OCCCCC(C)(C)C#N)C1 233915915 ZERGZHNPZRWBQW-HUUCEWRRSA-N 251.414 4.692 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(SC)cc1 234440682 CZOHNZQAUWFQCI-INIZCTEOSA-N 263.450 4.806 30 10 CJEE Cc1c(C(=O)C2=CCCCCC2)oc2ccc(F)cc12 235807260 WZRGLVGDJMIVMJ-UHFFFAOYSA-N 272.319 4.954 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2cc(F)ccc2s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c1ccc(Cl)cc1Cl)C(C)C 305932585 KAMDCQWRILICBZ-GJZGRUSLSA-N 284.230 4.692 30 10 CJEE O=C[C@@]1(C[C@@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 316938101 GSZYMLNIYFOJMZ-XPYUAMARSA-N 268.400 4.502 30 10 CJEE CC(C)CCCCC[C@]1(C=O)CCc2ccccc2C1 317704428 KZGOEUZLQBVBTL-IBGZPJMESA-N 272.432 4.967 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C1CCC1)C1CC1 324698226 SUXGQKNCNMKOFU-WMLDXEAASA-N 251.458 4.904 30 10 CJEE CCSc1cccc(N[C@@H](CC)C2CCC2)c1C#N 324750917 SHBSITMYPFENRD-AWEZNQCLSA-N 274.433 4.661 30 10 CJEE C[C@@H](C1CCC1)N(C)CCCCCCCCCS 325656505 MAJYMGNBICZTRD-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE N#CC1(c2cc(C(F)(F)F)ccn2)CCCCCCC1 383719209 JUEOXZDPRYDPBP-UHFFFAOYSA-N 282.309 4.606 30 10 CJEE C=CCC(CO)(CO)CCCCCCCCCCCC 386524895 AACLUPZGTQLKMO-UHFFFAOYSA-N 284.484 4.845 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccccc1C(F)(F)F 393750506 QYJISGBSCRVQDF-NEPJUHHUSA-N 271.326 4.711 30 10 CJEE CCCCCCCCCCNC[C@@H](C#N)C(C)(C)C 397575951 BWRXXMDZBANZER-MRXNPFEDSA-N 266.473 4.903 30 10 CJEE Cc1cc(Cl)c(NCC2(C#N)CCCC2)cc1Cl 405149083 CQIDIGANSCPAGB-UHFFFAOYSA-N 283.202 4.798 30 10 CJEE C=C(C)CCSCC(=O)Nc1c(C)cc(C)cc1Cl 507819515 QRIREKFQZNQRTH-UHFFFAOYSA-N 297.851 4.595 30 10 CJEE COc1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F 575379524 GNRREIXWFXSEJH-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H]1C1CCC1 688948227 LWDNVEAHNZBJTD-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CCc1cc(Nc2cc(Cl)ccc2C#N)ccc1F 690115180 YRIHMAWOFWYZSB-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE N#Cc1cc(NCCc2ccc(Cl)cc2)ccc1Cl 690190678 ACEHEEJERHSSJV-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE N#Cc1ccc(NCc2cc3cscc3s2)c(F)c1 693920778 WXQVBYYDGWUMNH-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE CC[C@@H](C)c1ccccc1O[C@H](C)CC(C)(C)C#N 695864954 PSWZQGPBTUEWIE-ZIAGYGMSSA-N 259.393 4.907 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3cccc(F)c3)C[C@@H](C1)C2 697311707 SWRGNWBFIGMZND-HPPSQRKUSA-N 273.395 4.611 30 10 CJEE CCCCCCCNCc1ccc(C(F)F)cc1 703766547 YOSHGBWSBFBDCG-UHFFFAOYSA-N 255.352 4.684 30 10 CJEE C=CCCC(C)(C)CNC[C@H](CC)CC(F)(F)F 703983125 WGNNOAALDBUURD-GFCCVEGCSA-N 265.363 4.547 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(CC)s1 703994992 AFZBVKPWKGSVBI-CYBMUJFWSA-N 265.466 4.954 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CC1(c2ccccc2)CC1 704066105 SHABQKBBEAEWIB-QAPCUYQASA-N 253.389 4.828 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)CCC(C)C 704479262 BSJSOVARKQGDLN-SJORKVTESA-N 271.489 4.642 30 10 CJEE C[C@@H]1CCCC[C@H]1Oc1ccc(C#N)cc1C(F)(F)F 704940324 KKSGHBCHCSCVEK-ZWNOBZJWSA-N 283.293 4.535 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cnc2ccsc2c1 706450525 KSYMJJVGGOSAMK-GFCCVEGCSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(C2CC2)o1 707542753 VZLDVKMJRXHQNS-AWEZNQCLSA-N 264.413 4.693 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H]2C[C@@H]21 709422777 OTTXDUHWZBHCTB-NCOADZHNSA-N 252.442 4.924 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1CCCCCCC1 710546392 CXVUFZRDLDPJOM-HNNXBMFYSA-N 257.849 4.858 30 10 CJEE CCCCCCCCCCNC[C@@H](C)[C@H]1CCCCO1 712063785 XXMWOTQANIXDML-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C(C)C[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712577932 ABSTYBWWXZDCBO-GFCCVEGCSA-N 291.744 4.976 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714452837 WYDMUUIPWDXHRP-MANSERQUSA-N 275.480 4.765 30 10 CJEE C=CC[C@H](C)[C@]1(CNCC(C)C)CCCC[C@@H]1C 715789067 PBVFDZTZQFFDMT-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)[C@]2(C)CC2(C)C)C1 717106870 JULPHRCLEWHQEA-GUYCJALGSA-N 277.452 4.530 30 10 CJEE C=CCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 718613796 HYIVCZOGCYILFO-LLVKDONJSA-N 277.355 4.774 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 723627930 ZYGJFTSCMWLTCS-ZMSDIMECSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@H](NC)c2csc(C)c2C)CC1 724556850 AYBQHDWWPCEYRF-INIZCTEOSA-N 263.450 4.762 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(CNC)o1 724863916 VHXNSCMSGGDUIT-INIZCTEOSA-N 281.440 4.563 30 10 CJEE N#CCc1csc2cc(C(F)F)cc(C(F)(F)F)c12 725277599 QUHJMUNQLWKYJQ-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(C)cc1 821216779 BWBUWQXMCKNRSV-HTXNQAPBSA-N 287.790 4.979 30 10 CJEE Clc1ccc(-n2cccc2C=NNc2ccccc2)cc1 1084047334 GIAKVWLNNSFFET-UHFFFAOYSA-N 295.773 4.577 30 10 CJEE C#CCC1(C(=O)Nc2ccc3occ(C)c3c2)CCCCC1 1128281308 YARLCIUCCBQMQG-UHFFFAOYSA-N 295.382 4.654 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C=C1CCC(C(C)(C)C)CC1 1128496703 YJWWVPWBLARUFJ-DJNXLDHESA-N 289.463 4.716 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C/C=C/c1ccc(Cl)cc1 1174780317 OQKGSAGHTLHVDN-DDDUHNKNSA-N 273.807 4.536 30 10 CJEE C=CCN(Cc1cccs1)C(=O)c1ccccc1C(C)C 1264247847 PFABRDJCTLKAQN-UHFFFAOYSA-N 299.439 4.700 30 10 CJEE C=CC[C@@H](C)N1CCC([C@@H](F)c2ccccc2F)CC1 1307754958 APIOGSBFWYOTPS-CXAGYDPISA-N 279.374 4.513 30 10 CJEE C=CCC1(NCc2cnc3ccc(C)cc3c2)CCCC1 1307935536 ZEBSIUVUUOHQAA-UHFFFAOYSA-N 280.415 4.522 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cccc(C(C)C)c1 1310033243 RTHBCDCLIXAYQC-UHFFFAOYSA-N 274.408 4.630 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(CCCC)cc1 1350972352 VRWDULARUKLRIG-UHFFFAOYSA-N 271.404 4.551 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(SC(C)C)cc1 1458274149 QCJWIIQXBXOSGV-CQSZACIVSA-N 291.460 4.662 30 10 CJEE C=CC[C@@H]1N(C[C@H]2CCCC[C@@H]2C)CCCC1(C)C 1460030599 GKNPVTNUEANDPR-BBWFWOEESA-N 263.469 4.879 30 10 CJEE C=CCCCCCNC1(c2cccc(F)c2)CCC1 1460284509 SDKLTTQEDLYUFO-UHFFFAOYSA-N 261.384 4.541 30 10 CJEE C=CCCCCCN(C)CC/C=C/c1ccccc1 1473178583 IXSAGHQJNWILCE-XNTDXEJSSA-N 257.421 4.768 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(OCCC)c(C)c1 1474653519 YBKIGBAVOVKSBM-HNNXBMFYSA-N 261.409 4.941 30 10 CJEE C=CCCCCNC(=O)CC1CCC(C(C)(C)C)CC1 1518516148 IFYGXGQOJJIOOG-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1524211592 ACVHXICPLXNQIC-ORAYPTAESA-N 299.389 4.758 30 10 CJEE C=CCCCCCCNC(=O)c1sccc1C(F)F 1525487017 DAMPFURJJOXZBY-UHFFFAOYSA-N 287.375 4.552 30 10 CJEE C=C(C)CCC(=O)O[C@H](C)c1oc2ccccc2c1C 1528877185 RBTKLMCKSJMGKI-CYBMUJFWSA-N 272.344 4.702 30 10 CJEE C=C(C)CCC(=O)O[C@H](C)c1ccc2cc(OC)ccc2c1 1532557715 QJEUPKNRYCNHSR-CQSZACIVSA-N 298.382 4.809 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H]2C(C)(C)C)CCCCC1 1533436479 SQJZEFVMYXMEKU-OAHLLOKOSA-N 277.452 4.550 30 10 CJEE C=C1CCC(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)CC1 1537980188 DORQWMIDMOWZFA-LJQANCHMSA-N 297.442 4.660 30 10 CJEE C=C[C@H](OC(=O)c1cccc2ccsc12)c1ccccc1 1538944217 YJMGKMXBSLITFY-INIZCTEOSA-N 294.375 4.985 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)C[C@@H](CC)c1ccccc1 1539100906 XIEKYUWYRIMOIG-DLBZAZTESA-N 287.447 4.631 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(C)c(SC)c2)C1 1560911588 GVDWGFPHYKFBAH-KBPBESRZSA-N 261.434 4.874 30 10 CJEE C=CCCCCCCCNC(=O)[C@]1(C)CCC[C@@H]1CC 1583104324 SNNQJSBQJKPJEJ-FUHWJXTLSA-N 279.468 4.846 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1SC 1587151663 AOWHRKJBUDQHLH-UHFFFAOYSA-N 295.835 4.769 30 10 CJEE C=CCSc1ccccc1C(=O)Nc1csc(C)c1 1595550224 OVGCTWPSJIYLDN-UHFFFAOYSA-N 289.425 4.587 30 10 CJEE C=CCCCCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 1617611394 RJOUSYVFLYUWAE-WMZOPIPTSA-N 257.421 4.529 30 10 CJEE C=C1CCC(CNC(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 1625699398 CRJLKPZRFUECHN-MRXNPFEDSA-N 299.458 4.605 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(c3cccc(C)c3)CC2)c1 1627395354 XCENVAYTPICPBL-UHFFFAOYSA-N 291.394 4.698 30 10 CJEE C[C@@H](S[C@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 1652120358 GQQSCJMTJSZLHH-NOZJJQNGSA-N 285.334 4.802 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(Cl)c(N(C)C)c1 1653136684 PASKZQGXTAZCKB-GFCCVEGCSA-N 266.816 4.563 30 10 CJEE C=CCC1(NCc2cccc(OC(F)(F)F)c2)CCCC1 1654249915 YUPJPSJMSINTOS-UHFFFAOYSA-N 299.336 4.564 30 10 CJEE C=CCCCC[C@H](C)NCC(C)(C)C(F)(F)CC 1658714459 NEFYYYDXZPYOEI-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=CCC(C)(C)CNCCCc1c(F)cccc1Cl 1659296352 FCRJLMQDVWUFFY-UHFFFAOYSA-N 283.818 4.604 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCC[C@H](C)C1 1659302021 IAXKPCJWTSXBKY-LSDHHAIUSA-N 263.450 4.562 30 10 CJEE C=CCCCCCN(C)C(=O)NCC1(C)CCC(C)CC1 1682072835 RTLCGBDIWHOACJ-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE N#Cc1ccc(-c2ccc(Cl)c(Cl)c2Cl)nc1 1848373157 HZYHILKSNWREHD-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC1(C)C[C@](C#N)(CC2(C(C)(C)C)CCC2)CCO1 1876743025 IMBFHDYCDHJRDU-INIZCTEOSA-N 263.425 4.692 30 10 CJEE CCC1CCC(CC2(C=O)CCC(F)(F)CC2)CC1 1878272616 HMRVEYNRZALSOV-UHFFFAOYSA-N 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255.402 4.674 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(CC)s1 2250156675 NMLBFUQVDSOINW-CQSZACIVSA-N 251.439 4.708 30 10 CJEE C=C(C)CCCCC[C@@H](N)c1ccccc1Br 2250181420 MNAYCJJDXFQBHM-OAHLLOKOSA-N 296.252 4.976 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1cc(Cl)cc(Cl)c1 2251019329 ZDHAZMJOBFMHQH-GHMZBOCLSA-N 272.219 4.856 30 10 CJEE C=CCCCCCC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 2253861110 ZYBHCQUEOVUZGC-NEPJUHHUSA-N 262.315 4.671 30 10 CJEE C=CCCCCCCCS[C@@]1(C)CCC[C@]1(C)O 2259002593 ZERXRALAHBTAAT-HOTGVXAUSA-N 270.482 4.940 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](NC)[C@@H]1C 2259058684 KFGCOTTYHUIXBW-ARFHVFGLSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CC[C@H](C)C1 2259169925 KYWPMKASKLONSP-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(Cl)cc1F 2259195963 BNCYZRSXVZUCDK-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=C(C)CCCC[C@H](CO)Cc1ccc(Cl)cc1 2259207495 LNKXRYCPABTPEU-HNNXBMFYSA-N 266.812 4.628 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1 2259214057 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BIQNISFBOHAWGT-KBPBESRZSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC1=CCCCC1 2281209257 SSCXNVSTKNTPIR-QGZVFWFLSA-N 280.452 4.948 30 10 CJEE C=CCCCC[C@H](NCCC)c1c(C)nn(CC)c1Cl 2281420978 WHPBMRZJIYOYGJ-AWEZNQCLSA-N 297.874 4.652 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(C(F)F)cc1 2284088175 FDJBLPMMKPJEIJ-HNNXBMFYSA-N 277.358 4.620 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CC1CCCCCC1 2284099353 RYOMFFXCPYXVRP-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cccc(C2CC2)c1 2284108885 IUGXFPAGLBJQKZ-SFHVURJKSA-N 267.416 4.560 30 10 CJEE CCCCCCC[C@](C)(O)c1nc(C)cc2occc12 2284210880 KWMAEVDQQBZMHX-KRWDZBQOSA-N 275.392 4.704 30 10 CJEE CCCCCCCC[C@H](N)Cc1cc(OC)ccc1Cl 2284392687 AGWAIUOHSVQUHH-HNNXBMFYSA-N 297.870 4.969 30 10 CJEE C=CCCCSC[C@@H](NC)c1ccc2ccccc2c1 2287065116 JHDAXFCCWOENPC-GOSISDBHSA-N 285.456 4.800 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@](C)(O)CCC(C)C 2287390070 LRKMEKHAJHQUQO-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2287401646 PDHSWBQPAGVAFU-FJIDUMEYSA-N 278.484 4.561 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2289681110 JQCSXFDVFMKRHV-WJFTUGDTSA-N 273.464 4.504 30 10 CJEE CC(C)(C)CC1CC(CN=C2N[C@H](C(C)(C)C)CS2)C1 2290040153 MUVQGAWQRJLREO-RUXDESIVSA-N 296.524 4.556 30 10 CJEE CC(C)[C@@H](CS)CN(C)Cc1cccc(C(C)(C)C)c1 2290201167 DQQFFVABZPDMGR-MRXNPFEDSA-N 293.520 4.618 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H](C)CCC(C)C 2291052394 STOUTCWSGIDEPE-HOTGVXAUSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@@H](CC=C(C)C)OCCC(=O)O 2291175526 WBLCXCDDBSYHLR-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)c1csc(C)c1C 2291467969 ONSHNBTXKKCKQJ-OAHLLOKOSA-N 296.432 4.644 30 10 CJEE C=C1CCC(C[C@](C)(CC(C)(C)C)OCCCN)CC1 2292908484 YVXMRWAGPIUHNQ-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](CC1CCC(F)CC1)OCCN 2293025688 JUJUCUVPACWBDK-JCYILVPMSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H](F)C1)OCCCN 2293033165 MZCJAZIZTZRLNK-IXDOHACOSA-N 287.463 4.609 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ccncc1Cl 2293407593 JPCRQIQWAHJXFW-INIZCTEOSA-N 298.858 4.502 30 10 CJEE CCCCCCC[C@](C)(CC1(CF)CCC1)OCCN 2293460635 QRVGNIVPWHABPN-MRXNPFEDSA-N 287.463 4.611 30 10 CJEE Cc1cccc(C(=O)C=Cc2cccc(Cl)c2)c1 2294300360 PGAOGNJFKYQDSI-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE C[C@]1(c2ccccc2)CCN(CCCCCCCS)C1 2294776761 LQYFTLOPJCMKJW-SFHVURJKSA-N 291.504 4.530 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H]2CC23CCCCC3)c1 2295162063 LPHKQFHAODWNHH-QGZVFWFLSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@H](C(C)(C)N)C1 2295520372 QBYUNVBRSBMWHF-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N(CCC(=O)O)C(C)C 2295531152 IPTNCUMPFXQMAA-INIZCTEOSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC(=O)O)[C@H](C)CC 2295532407 WMOJYDLDPAPMCY-HZPDHXFCSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H](C)C1CC1 2295603474 MNDTYUVVMIOAQD-YJBOKZPZSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](C)Nc1cnn(C)c1CC 2295671797 UYTRKOCKXHQJGF-OAHLLOKOSA-N 279.472 4.924 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCCCN1C 2295690803 GBFNOHDHHVWBLK-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@](C)(CC)C(F)F 2315009188 SMRBWTNABCKFGF-UKRRQHHQSA-N 261.400 4.782 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H](C)CC(C)(C)C 2316739905 WLDUVDREWUHRHE-GOEBONIOSA-N 251.458 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1c(F)ccc(C)c1Cl 2316751353 COYNQCSKKXOYQM-OAHLLOKOSA-N 268.759 4.589 30 10 CJEE Cc1c([C@@H]2CC[C@@](C)(CC#N)O2)ccc(Cl)c1Cl 2318099900 UMHUSAMJUHYQSE-JSGCOSHPSA-N 284.186 4.826 30 10 CJEE C=CCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2318603086 HHLHQOBBTZHJAF-HNNXBMFYSA-N 286.246 5.000 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(CCC)s1 2321114835 ZKQHBSDCFDMINT-OAHLLOKOSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(F)c(Cl)c1 2321132103 WPXMALMKDGTKNW-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1CCCCC1)NC 2321134416 OAMDNBCAERMLES-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2325258624 ONAHKZFDZWFZPT-OTYXRUKQSA-N 289.177 4.680 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(F)cc1SC 2328538940 NJJUOWFSQWUISR-AWEZNQCLSA-N 267.413 4.555 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)cc1F 2335238007 KGSSCMOIPZBMRL-LBPRGKRZSA-N 281.440 4.771 30 10 CJEE CCCN[C@@H](C#CC1CCC1)C[C@@H](C)CC(C)(C)C 2337426187 BFMVGSFFVMDONP-WBVHZDCISA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCCC[C@@H]1C(F)(F)F 2338728736 YGMWCLUNKBMJTG-UONOGXRCSA-N 275.358 4.560 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 2338740429 FNEPTXNRHJXYCH-OWSLCNJRSA-N 261.453 4.559 30 10 CJEE C=C([C@H](NC)c1cc(F)ccc1C1CC1)C(C)(C)C 2341798832 JDJUPTCTJAJDKE-INIZCTEOSA-N 261.384 4.566 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)C1=CC[C@@H](C(C)(C)C)CC1 2341887213 WKMDQXAFHAYMED-IKGGRYGDSA-N 261.453 4.703 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccccc1CSC 2344343894 GGJKTQYWQBYTRM-INIZCTEOSA-N 277.477 4.803 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H]1CCC2(CCCC2)C1 2344348929 OTESVZBGXNOHJP-YESZJQIVSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@](C)(Nc1ccsc1)C(=O)O 2348275684 IBDHSNOCGFNERE-HNNXBMFYSA-N 283.437 4.754 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCCC12CCCCC2 2352016625 IDEFJJHYORWAPK-XJKSGUPXSA-N 282.449 4.642 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@H](C)CC1CCC1 2360385220 YQPQPTDGIVQOCD-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE C=CCn1c(SCc2ccccc2)nc2ccccc21 7343904 XHCBOQKUSKZYQV-UHFFFAOYSA-N 280.396 4.515 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)C2CCCCC2)C1 35250464 MUGSMTQPBVJQIX-SOLBZPMBSA-N 290.495 4.996 30 10 CJEE N#C[C@H](C(=O)CCC1CCCCC1)c1ccc(Cl)cc1 37345207 AGPXWZQELSBBCJ-INIZCTEOSA-N 289.806 4.877 30 10 CJEE CCCN[C@](C)(C#N)CCCCSc1ccc(C)cc1 45363447 GCRGVRCVDGCSCY-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE Oc1cc(Cl)ccc1/N=C/c1cccn1-c1ccccc1 59678950 WSBNFVUPPVYMKI-XDHOZWIPSA-N 296.757 4.587 30 10 CJEE Cc1ccc(Nc2cccc(Cl)c2C#N)c(Cl)c1 70138316 SZXCJFVDONVEMB-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=CCn1nc(C#N)cc1-c1ccc(C2CCCCC2)cc1 76850152 RKQNRZSDNRDPEI-UHFFFAOYSA-N 291.398 4.655 30 10 CJEE Cc1cc(-c2cc(CC#N)c(C(C)C)o2)ccc1F 77079047 XJQKRVXKRYCPHN-UHFFFAOYSA-N 257.308 4.584 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426813 GEYFVYXJBPGHIS-SGMGOOAPSA-N 294.851 4.936 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2C)CC1 86907944 KKPQNRVQXOHDGB-GOEBONIOSA-N 256.393 4.638 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)CC1 86949124 ZBEZSIWWQZOGDV-WMLDXEAASA-N 274.383 4.880 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 88191166 VYDJLFIZEHCANQ-CYBMUJFWSA-N 294.276 4.733 30 10 CJEE CCC[C@@](O)(c1ccccc1)C1(C#N)CCC(C)(C)CC1 91878232 WMDBIJLQKNHABY-LJQANCHMSA-N 285.431 4.784 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Sc1cccc(Cl)c1 93955900 AXQLRCWXSOTSBE-MFKMUULPSA-N 251.782 4.514 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OCC(CC)(CC)CS 94583637 BTDLZHWUCBUEEA-KGLIPLIRSA-N 258.471 4.708 30 10 CJEE SCC1(COC2CCCCCC2)CCCCC1 94585546 UOFBNUKPRYFZLM-UHFFFAOYSA-N 256.455 4.606 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc(F)cc(F)c1 94826562 NPXDSILLZFAIHX-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=C(C)CCOCc1ccc([C@@H](C)CNCC(C)C)cc1 97811599 UPUMTWRAONBPSH-KRWDZBQOSA-N 289.463 4.519 30 10 CJEE CCc1ccc(N(C)c2ccc(C#N)c(Cl)c2)cc1 110257438 KZBCAYKCSLAHEF-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 114284987 JINZQDKGNMRZNU-CYBMUJFWSA-N 289.379 4.627 30 10 CJEE CCCCCCCCCC(=O)c1ccc(N(C)C=O)cc1 115855293 OBWIGNCZGUJJQH-UHFFFAOYSA-N 289.419 4.603 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NCCC)C1(CC)CC 117339970 SJPADXWZODDXMV-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](NC)C1(CC)CC 117341663 OSXXIVDIXCKXMN-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(CC)N(CC)CC 118156962 MUDLESHZYNWXMU-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCC[C@@H](NN)c1csc2ccccc12 122302742 VOIDUFPWWJUIFO-OAHLLOKOSA-N 276.449 4.766 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(F)c1 123439810 ZVKVEOKLXSPXHZ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](CC)OCC 125005381 RQIMMTALZJNPMY-CVEARBPZSA-N 257.462 4.660 30 10 CJEE C[C@H]1C[C@H]1c1ccc(CNc2cc(C#N)ccc2Cl)o1 127764824 LSFBKRZEHIAXMA-GXFFZTMASA-N 286.762 4.540 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1occc1C 130822968 HVOHGKGOFFBXDH-OAHLLOKOSA-N 266.429 4.623 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1OCCc2ccccc21 135351662 IKOUIMYERWEBBY-RBUKOAKNSA-N 290.447 4.802 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H](N)c2ccccc21 157394520 NVXDKNGOIAMEAH-WBVHZDCISA-N 296.439 4.521 30 10 CJEE CCCCCCCCCCNc1cncc(NCCC)n1 157454483 GLFBIIJAOHDHRV-UHFFFAOYSA-N 292.471 4.851 30 10 CJEE C=C(C)CC[C@@H](NCCC)C(C)(C)c1ccccc1 159194248 XYCPSLBBDFNWJK-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](OC)c1ccccc1 167957092 GBCMAANPSRBLCX-MSOLQXFVSA-N 277.452 4.713 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc(OC)c(F)c1 168029149 SEDBKXIGRWINNV-MRXNPFEDSA-N 296.426 4.878 30 10 CJEE CCCCCCC[C@H]1CCCC[C@H]1CNC1CC1 211849474 HZDPXKLVKDNSQV-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H](C)C[C@@H]2C)C1 217945451 KPSHBEFTQTZIOF-CWQOZTLDSA-N 290.495 4.851 30 10 CJEE Cc1ccsc1[C@@H]1Nc2c(C#N)cccc2[C@@H]2C=CC[C@@H]21 226656825 RJMCDJMKGOJYSD-JLJPHGGASA-N 292.407 4.755 30 10 CJEE Cc1ccccc1[C@@H]1Nc2ccc(C#N)cc2[C@@H]2C=CC[C@@H]21 226855343 GTYWVCPADWQSBI-UWVAXJGDSA-N 286.378 4.693 30 10 CJEE CCCCCCCCC[C@H](NN)c1cscc1C 229597891 AEBAWHRIZJRBIC-HNNXBMFYSA-N 268.470 4.702 30 10 CJEE C#CCCCCN[C@H](c1ccccc1)C1CCCCC1 229642455 NCYBPZJLJBFHCS-LJQANCHMSA-N 269.432 4.701 30 10 CJEE CC(C)(C#N)c1nc(-c2cc3ccccc3s2)cs1 231790847 PVWCERBNTLMJHY-UHFFFAOYSA-N 284.409 4.826 30 10 CJEE CCCCCCCCOCc1ccc(CNCC)s1 231974665 JCRQAYIFJGKXAI-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE CCc1ccc(Oc2ccc(C#N)cc2Cl)c(OC)c1 232342252 CZSVQPNEQOLKDR-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccoc1CC 232916511 DVIVJCAAZXTCTL-INIZCTEOSA-N 280.456 4.877 30 10 CJEE CCCCCCCCCN(CCC)C[C@H]1CCCCN1 232937655 NJSYSZFJHULBAX-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccnc2ccccc12 234462196 FKHAZPDZXRKKER-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=CCCCCCC(=O)c1cc(C)c(F)cc1F 235740705 SOLWZOCDVSDEFO-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE N#C[C@@H](C(=O)c1cc(Cl)sc1Cl)c1ccccc1 236043717 LTWNDADNXWGEHJ-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 251784231 NGBHPDVBMMUGNH-XMTFNYHQSA-N 290.495 4.853 30 10 CJEE Cc1cc2c(cn1)C(=Nc1ccccc1C)c1ccccc1-2 252629373 UEOFJYLRFIQQBC-UHFFFAOYSA-N 284.362 4.848 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N 252817863 LMGQCEPZRJUCHR-UMVBOHGHSA-N 288.460 4.907 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 252897439 DHMQMVVUOOKSIW-OKYOBFRVSA-N 271.448 4.650 30 10 CJEE CC(=O)Nc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 254480202 IACFAYDRFHWKSA-UHFFFAOYSA-N 280.371 4.519 30 10 CJEE N#CC[C@H](c1cccc2sc(C3CC3)nc12)C1CC1 260693706 WBMABSDQGRMBJR-LBPRGKRZSA-N 268.385 4.581 30 10 CJEE C=CCCCCC[C@H](O)c1cc(F)ccc1Cl 310504955 SGXMLSTUNRWXTA-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@H](C(F)(F)F)C1 312279779 NWEPIVVYQUEDFC-UONOGXRCSA-N 296.373 4.600 30 10 CJEE C=CCC(C)(C)CNCc1ccc(F)c(C(F)(F)F)c1 312516716 GCZCOCPSVNXBFM-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE CC(C)SCCC1(C=O)CCC(C(C)(C)C)CC1 316957701 CWJZUSPZBRIGDW-UHFFFAOYSA-N 270.482 4.940 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)CCC[C@H]1C 317969125 OLTWIHPNWDUIIQ-NVXWUHKLSA-N 251.458 4.905 30 10 CJEE CCSc1cccc(N(CC)[C@@H](C)C2CCC2)c1C#N 325245538 WXQAIJKFLMTWPS-ZDUSSCGKSA-N 288.460 4.685 30 10 CJEE C=CCSCc1cc([C@H](C)NCCC)ccc1OCC 383233295 CKZQQVMVMFWYCG-AWEZNQCLSA-N 293.476 4.565 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H]1CCCCC1(F)F 400493958 DYFUYZMFVBTGJM-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@H]2C[C@@H]2C1 403718632 ZHNOBDDIZXPNSM-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE N#CCc1c(F)cccc1-c1ccc(Cl)cc1Cl 514261925 STCBHHXCMWYBSN-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCC(CC=C)c1nc(C[C@@H](C)c2ccccc2)no1 545758221 XKTXIDLWPOZUHS-CQSZACIVSA-N 282.387 4.652 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H](CC)CC(F)(F)F 686704486 WDZLGMAPWDQDDJ-KBPBESRZSA-N 277.374 4.527 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCCCC[C@H]21 687979356 ODXBJZWVRYYACF-IAGOWNOFSA-N 283.525 4.911 30 10 CJEE SCC1(CN2CCC[C@H]2C2CCCCC2)CCCC1 688810927 XGAMXECABVMOGF-INIZCTEOSA-N 281.509 4.521 30 10 CJEE N#CCCCCCNc1ccc(SC(F)(F)F)cc1 690178752 GYVZRXXYXFZAQC-UHFFFAOYSA-N 288.338 4.794 30 10 CJEE C=CCC1(n2c(S)nc3c(Cl)cccc32)CCCC1 690710105 GRWQFMHVTGQAIU-UHFFFAOYSA-N 292.835 4.824 30 10 CJEE C=CCC1(NCC2CCC(C(C)C)CC2)CCCC1 690798047 GJZYCHCMRCVSCE-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(C)cccc1C 692273670 WHWUPYFABGIOQW-WMZOPIPTSA-N 257.421 4.528 30 10 CJEE CCC(C)(C)CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 697211688 TXJSNQBQFKFJFS-LLVKDONJSA-N 298.213 4.996 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3cc(C)oc3C)C[C@@H](C1)C2 697310725 GUYSDTBYEDKZAI-JTUUTPGSSA-N 273.420 4.682 30 10 CJEE C=CCCC(C)(C)CNC[C@H](C)C1CCCCC1 704037105 AFSASCSJUDULCQ-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE CCCCCCCCNCc1cccnc1C(F)(F)F 704269554 CTOBWJHEQREVAB-UHFFFAOYSA-N 288.357 4.551 30 10 CJEE CCN(CCCCCCCCCS)C1CCC1 706799125 BOEOTXGLCPAGPP-UHFFFAOYSA-N 257.487 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4.634 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1[C@H]2CCCC[C@H]21 2220087763 JSRHTWUUWDAXJT-YYIAUSFCSA-N 250.426 4.700 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](F)C1CCC1 2220857055 SWXYVTNXLZFTFR-CVEARBPZSA-N 255.421 4.629 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(Cl)c(C)c1 2225418890 ULKQLMTZVAQVNV-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE CC#C[C@@H](CCCCCCCCCCCCC)NN 2225503469 IOCAXMUMLPQWEB-KRWDZBQOSA-N 266.473 4.543 30 10 CJEE C#CC[C@H](C[C@H](NCCC)C(C)(C)CCC)C1CC1 2229863739 CIVWGWTUXAHUEV-SJORKVTESA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](CCCC(F)F)NCCC 2230065195 PQVNSNIRWGBVSM-OAHLLOKOSA-N 267.363 4.503 30 10 CJEE CCCCCCCCCCO[C@@H]1CCNC[C@H]1CC 2231025449 DLFGEUDZRRJFBQ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(F)c(C)c1F 2231030708 NEVGLXFJANUETF-OAHLLOKOSA-N 269.379 4.894 30 10 CJEE CCCCCCCCCCCOc1csc(C=O)n1 2231074608 SIUYXZSNLNUCIV-UHFFFAOYSA-N 283.437 4.865 30 10 CJEE CCCCCCCCCOC(=O)c1cccnc1Cl 2231082228 FIHYYKBWRQJQLW-UHFFFAOYSA-N 283.799 4.642 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc2ccoc12 2232390742 JBULHSDJFCXEHP-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE C=C(CC)C[C@@H](CC1CC(OC(C)(C)C)C1)NCCC 2232963271 ZFMKEKRDOAISJQ-CGZBRXJRSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCCCO[C@H](C)[C@@H](C)CNC(C)C 2234057737 OIZPTHTXKVXIJP-ZWKOTPCHSA-N 283.500 4.942 30 10 CJEE C[C@@](C#N)(CCCSCCCCCC1CC1)NC1CC1 2235462480 GQMJLWAEAQZLIO-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@](C)(CC)N(C)C 2235512942 HMYCYSAZZIPGBY-QZTJIDSGSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCC[C@H](COC1CCCCC1)NC 2235521832 NHOUGOOLIKMODK-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCOc1cc(F)ccc1[C@@H](C)O 2235533800 CVALTWSOHIVEAW-CQSZACIVSA-N 280.383 4.784 30 10 CJEE CCCCCCC[C@@H](C)Nc1c(OC)cccc1OC 2235786240 XTOAGAANMKUSKK-CQSZACIVSA-N 279.424 4.865 30 10 CJEE C=CC[C@H](C=C)OCCC(CC)(CC)CN[C@H](C)CC 2238495500 CBMCOVRGJFFORS-SJORKVTESA-N 281.484 4.718 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@H]2CC[C@H]1C2 2239249131 TXDMJWOIWYDQCY-ATNRFADISA-N 274.448 4.988 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC2(CC2)[C@H]1NC 2239490283 PIYTZEXYEWHIJN-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCOc1ncccc1[C@H](C)N 2239508583 WNZSPGPQNZAGMA-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC2(CCC2)[C@@H]1O 2239543309 IPBBVSGTIRGKMU-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCC[C@H](C(C)C)[C@H](C#Cc1cccc(Cl)c1)NCC 2239562998 PUGFRVNMLJFXIX-MSOLQXFVSA-N 291.866 4.742 30 10 CJEE C[C@](C#N)(Cc1ccc(C2CC2)cc1)c1ccccc1 2240374424 PDJIPQNHDBQKEY-LJQANCHMSA-N 261.368 4.588 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H]1C[C@H](OCC)C1(C)C 2240616735 VLYCYZOFRVULLV-RYRKJORJSA-N 284.484 4.939 30 10 CJEE CCCCCCCC[C@@H](C)NCCCc1nnc(C)s1 2240638055 PLFJTTLESZVXIK-CQSZACIVSA-N 297.512 4.508 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H](C)c2ccc(C)cc2)CCC1 2240822261 MVDFKIZWMPTDAZ-WMZOPIPTSA-N 271.448 4.823 30 10 CJEE C=C(C)CCCCNc1cc(Br)ccc1C 2244629289 ZVHIKMPHBSEQHX-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CCCCCCCCNCCc1ccccc1Cl 2257343765 DUAQLWCHYQAIJA-UHFFFAOYSA-N 267.844 4.833 30 10 CJEE CC(C)=CCC[C@H](C)CCOCCCCCC#N 2257431679 DUEFVNNSMOCGPO-INIZCTEOSA-N 251.414 4.860 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](S[C@H]2C[C@@H]3C[C@@H]3C2)C1 2257942803 CEOOLZUBMNCCCL-FWXGHANASA-N 263.450 4.627 30 10 CJEE CC(C)C(OCC1(CS)CCCCCC1)C(C)C 2258304967 LTAJWRPSSWWBAT-UHFFFAOYSA-N 272.498 4.954 30 10 CJEE C=CCCCS[C@@H]1C[C@H](NCCC)CC(C)(C)C1 2258988480 PGCCDXNAKOLQJE-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCCc1nc2ccc(OC)cc2s1 2259207691 WSKMQWZBCROHQB-UHFFFAOYSA-N 261.390 4.594 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(C)(C)CC[C@H]1NC 2259239982 VFFMMARGCBEVMS-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@]2(C=O)CCCC(F)(F)C2)C1 2265142325 LUKIIDNLJOOSNW-QLFBSQMISA-N 272.379 4.988 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CCCCC[C@H]1C[C@@H]1C 2269466911 GMFQFCRRYRBBSM-XLAORIBOSA-N 261.453 4.776 30 10 CJEE C=C(C)CCCC[C@H](N)C1(OCC)CCCCCC1 2271786676 ZVZIVFFITJRUNC-INIZCTEOSA-N 267.457 4.580 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C(C)=C(C)C 2275297224 XAMOLAPBMDBVEB-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE N#C[C@@]1(C2C3CC4CC(C3)CC2C4)CCC12CCC2 2277571083 XLSUSFUURCBKTB-JHRMKZCVSA-N 255.405 4.533 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC1(C)CC(C)C1 2279479473 XBWHHGJORIZFSM-UPTPFMHGSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2cccnc2s1 2280184908 SQFSTCGNAXSNGG-AWEZNQCLSA-N 291.464 4.551 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CC1=CCCCC1 2281265380 ISLSPXJIAMXSAN-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C(C)(F)F)ccn1 2284100840 KRUXXDIZFZPHAD-CQSZACIVSA-N 284.394 4.944 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCC(C)(C)CC1 2284136608 DTSBBCGCKZHGDB-IAGOWNOFSA-N 276.464 4.950 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CC)C[C@@](C#N)(NC(C)C)C1 2287096832 PBKSQNANUNTKOY-GVDBMIGSSA-N 294.508 4.525 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@@]12CCCC[C@@H]1CC2 2289010211 GMRYJUMKMKTNMJ-WBMJQRKESA-N 292.785 4.733 30 10 CJEE CCCCCCC[C@@](C)(N)Cc1ccc(C)c(F)c1F 2289638529 NGTFZRSAICNBOX-QGZVFWFLSA-N 283.406 4.894 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2ccc(C#N)cc2F)C1 2290277707 CEEHQBBSLGNWJZ-HNNXBMFYSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@H](OCCC(=O)O)[C@@H]1C[C@@H]1C 2290580767 PBZOAEIWMKXKDT-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)c1ccc(C)s1 2290603050 FTTLRAUPTOBFNY-CQSZACIVSA-N 298.448 4.949 30 10 CJEE C=CCC[C@H](C)[C@](CC)(CCC(C)C)OCCC(=O)O 2291002120 BOOPAMPRSMQIIL-RDJZCZTQSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@@H](CC1CC(C)(C)C1)OCC(=O)O 2291242886 UAZYWSHBEUDRIS-HNNXBMFYSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@](C)(CC(C)(C)C)OCC(=O)O 2291262622 UJOFXLXKBGUAKK-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCC[C@H](OCC(=O)O)C1(C)CCCCCC1 2291465455 IUHDWOLWPVPWCG-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H]1CCC[C@H]1C 2292780001 TYMPJNOUNVMGFN-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(CC[C@H](C)C(F)F)OCCN 2293148135 NFUWZXQALADVQX-GOEBONIOSA-N 293.442 4.762 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC[C@H]1C1CC1 2294342227 JMKNFBZYSXSJJH-ROUUACIJSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC([C@H](C)N)CC1 2295536245 LUHPEFVODATWTA-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C1CC(CC)C1 2295595691 BNEMEOBFNHPRSK-HTWSVDAQSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCN(C(C)C)C1 2295692520 XIQQMKVPFXHNFG-ZWKOTPCHSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(C#N)CCCSC1 2295692642 YRBQBEYBWUOYMK-IRXDYDNUSA-N 297.508 4.915 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cccc(OCF)c1 2295846264 RXWZCMBSNBBBKG-QGZVFWFLSA-N 282.399 4.951 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCC(F)(F)F)C1 2313555033 OJALQRPSXUCIEC-GMTAPVOTSA-N 279.371 4.636 30 10 CJEE CCCCCCCCCC=C1CCNCC1(F)F 2316737977 CCGULKBJOLYKQK-UHFFFAOYSA-N 259.384 4.682 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(C)cc1Cl 2321176421 COMSXHJYDFGARH-INIZCTEOSA-N 264.796 4.752 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C[C@H]1CC[C@H](CC)CC1 2321220945 XDKXDPBVQGXHDS-QBPKDAKJSA-N 252.442 4.946 30 10 CJEE C=CCC(C)(C)[C@H](O)CC1C[C@H]2CCC[C@H](C1)C2 2321234051 QNCFDXZFBWKQJE-OFQRWUPVSA-N 250.426 4.556 30 10 CJEE CCC(=NOCc1ccc(F)cc1)c1ccc(C)cc1C 2330259149 QFABDNODRWOKRS-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE C=CCCCCCCC(=O)[C@H]1[C@H]2CCCC(F)(F)[C@@H]12 2333327260 SDHMPJUSGPGNFN-BPLDGKMQSA-N 270.363 4.764 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H](C)CC1CC1 2335188570 RQLBKXNFMIFUBI-WBVHZDCISA-N 269.473 4.517 30 10 CJEE CCCCCC#CC[C@@H](O)c1c(F)ccc(C)c1Cl 2335406678 PLBMORRCFLJFQK-CQSZACIVSA-N 282.786 4.795 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1c(Cl)cccc1Cl)NC 2338725062 NHMNIRLZMFIUHM-MRXNPFEDSA-N 298.257 4.892 30 10 CJEE CC(C)c1cccc(C[C@]2(C=O)CCC[C@@H](C)C2)c1 2343758289 BVQHNEFVWDQFNS-QAPCUYQASA-N 258.405 4.748 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1=CC[C@@H](C(C)(C)C)CC1 2344357042 OXILRMAHQCFRJN-USXIJHARSA-N 263.469 4.949 30 10 CJEE C=CC[C@H](C)C(=O)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2344421239 QLWNFTQOMIECGZ-FUDCBSFHSA-N 270.363 4.619 30 10 CJEE CC(C)(C)[C@](C)(CS)CN(Cc1cccs1)C1CC1 2352067487 FPNUOCUJVBHHAX-INIZCTEOSA-N 297.533 4.695 30 10 CJEE C#CCCCCCCCOc1c(Cl)cccc1C=O 2353011414 BKCJHYYYBIBGJM-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE CCCCCCCCC[C@](C)(N)CC1=CCCOC1 2353545882 ZGMVWAUSBYOQBV-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CSc1cc(NCCCC[C@@H]2C[C@@H]2C)ccc1C#N 2353828961 UCLFOQNUWRRIBZ-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE CCCC[C@H](CC)N(C)c1ccc(C#N)c(SC)c1 2353846123 PHAXYXCKFWHDDX-AWEZNQCLSA-N 276.449 4.685 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@H]1C[C@H]1C1CCCCC1 2357756502 KJQAULKPDHIKSJ-VJANTYMQSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CC[C@@H]2C[C@H]1CO2 2359110364 RFTRMQXNGWZYNK-ZJPYXAASSA-N 281.484 4.530 30 10 CJEE C[C@@H](Nc1ccc(F)cc1Cl)c1ccc(C#N)cc1 20595111 NFVFBLPNKNFPCD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#Cc1ccccc1N[C@@H]1CCCC[C@@H]1c1ccccc1 37203044 XDYAZHKNNVFXMF-IEBWSBKVSA-N 276.383 4.697 30 10 CJEE C[C@@H]1CCC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 37306491 NSFDISJJNOMPBJ-ZYHUDNBSSA-N 283.293 4.535 30 10 CJEE N#CC[C@H](Nc1ccc(Cl)cc1F)c1ccccc1 55017958 WHBFSFICCLESRU-AWEZNQCLSA-N 274.726 4.546 30 10 CJEE CCC1CCC(N(C)[C@H](CC#N)c2ccccc2)CC1 55020444 VMMZKXKMLZVANY-VMWRSERWSA-N 270.420 4.542 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)CCCc1ccccc1 57696728 XVSNYFXMQKPWIW-HNNXBMFYSA-N 299.801 4.979 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Cc2c(F)cccc2Cl)c1 57740237 CZCLHGHCTVDAHS-CYBMUJFWSA-N 287.765 4.946 30 10 CJEE CCCCCCCOc1ccc(CNCCC)cc1OC 59178868 DMHLXBCTEPXKCX-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE Cc1ccc(-c2nc(C(C)C)c(CS)s2)cc1 82429723 WRSJTMIWXMYSLY-UHFFFAOYSA-N 263.431 4.672 30 10 CJEE CCC[C@@H](CS)COc1cccc(Cl)c1Cl 87080211 ZJKRJUOPOQHOCX-SECBINFHSA-N 279.232 4.718 30 10 CJEE Cc1ncsc1CCC1(C#N)CCC(C(C)C)CC1 87959876 GHJPGGRXMKXBKZ-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1ccc(C(C)C)cc1 88154814 HBHXVFSWBGFXKB-UHFFFAOYSA-N 279.383 4.878 30 10 CJEE CCCCCCCOCc1nc(Cl)c2ccsc2n1 88336232 GMGKLUACVYWUFZ-UHFFFAOYSA-N 298.839 4.832 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2cc(C)ccc2C)C1 91878630 LRERTDHTXBQMDW-QRQLOZEOSA-N 285.431 4.621 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccccc1C1CC1 94527888 ZHKJCOLWTHYFTP-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CCC1CCC(N(C)CC2(CS)CCCCC2)CC1 94581288 GNIKQMQZUTVSOR-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc2cccnc12 97219685 OVZNXMJERPYDSC-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE c1cnc2c(c1)cc1c3c2ccc2cccc(c23)[C@@H]2O[C@@H]12 104945662 QDFSNNRULRMSIH-OALUTQOASA-N 269.303 4.667 30 10 CJEE C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(Cl)cc1 111141954 OKDPPIHXLGTKTF-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCCNC1 113276451 SANMURRWIQXRSH-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@H](O)c1cccc2c1OC(C)(C)C2 115654203 SMGIZMDOOWBBBH-INIZCTEOSA-N 276.420 4.794 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](CC)CC#N 115857512 FLHVVDAONWOMBA-INIZCTEOSA-N 280.456 4.716 30 10 CJEE CCCCCCCCOC(=O)OCc1ccccc1 117280558 HXFGSENNHVGRLX-UHFFFAOYSA-N 264.365 4.700 30 10 CJEE CCCCCCCn1ccc([C@H](CCC)NC)c1 118244664 VEHVGTNDUSHHTH-INIZCTEOSA-N 250.430 4.519 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)CCO[C@@H]1C 125445558 VSDFVVIWXWWGPZ-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NC)c1c(Cl)cnn1C(C)C 127015873 FXZVRSONCGPPJO-AWEZNQCLSA-N 285.863 4.738 30 10 CJEE CC(C)(C)c1cccc(Oc2c(F)cc(C#N)cc2F)c1 127474407 XBIDRMVGMVQMGV-UHFFFAOYSA-N 287.309 4.926 30 10 CJEE CCCCCCCCCCNC(=O)c1ccnc(Cl)c1 129266960 CFZYMBNYVYHCRU-UHFFFAOYSA-N 296.842 4.606 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(C(F)F)c1 131941442 GHIFAQNPZLTBJJ-CQSZACIVSA-N 292.716 4.954 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCCS1 158009474 YTGYIIKHQFSRLL-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCCN1CCCCC[C@H]1C[C@@H](C)O 158720091 GVJIAVMIVRDFGR-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCC[C@@H](NCc1ccc(C#N)cc1C)c1cccs1 165249392 UXLBOAXANBFSJL-MRXNPFEDSA-N 284.428 4.559 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CN)c1ccccc1 168901455 PJCFHUVVOVTQOM-GOSISDBHSA-N 289.463 4.829 30 10 CJEE CCCCCCCCOc1ccc(C(C)=O)c(C)c1 199791816 WEIXCPCPKWHNRV-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(C(F)(F)F)cc1 203348186 UUKZYXVPRZOQRA-UHFFFAOYSA-N 268.278 4.779 30 10 CJEE CCCCCCCCCCCC[C@@H](CCCN)C(=O)O 229475822 BYZFAPLJXBBYJY-INIZCTEOSA-N 285.472 4.737 30 10 CJEE CCCCCCCCCCN[C@@H](CC)c1ncc[nH]1 232910149 MBWVWLOIRRJUNK-HNNXBMFYSA-N 265.445 4.591 30 10 CJEE C=CCCCCCNc1ccc(N(CC)CC)cc1 233455027 UAGAHIMDLMNLIU-UHFFFAOYSA-N 260.425 4.691 30 10 CJEE CCC(C)(C)O[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251225506 GPFGHYLMKPEAQY-MELADBBJSA-N 251.414 4.546 30 10 CJEE N#Cc1ccc(/C=C(/Cl)c2nc3cc(F)ccc3o2)cc1 255031707 AAQRHPZMCSGBKC-NTUHNPAUSA-N 298.704 4.575 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@H](C)CC1 300524354 VYVZMKBVNRCKKM-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](CC)CC(C)C 308066151 LEWPSIPTLFZZGN-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE CCCCCCCCCC[C@@H](C)C[C@@H]1COCCN1 312033265 YWKAQSMGCMFLLV-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCC[C@H](C)c1nc2cc(C#N)ccc2n1CCC 312325458 AMSASYADDYYXQZ-ZDUSSCGKSA-N 269.392 4.612 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2cc(Cl)sc2Cl)O1 312674492 ZJYZHGULCUUVEX-CBAPKCEASA-N 276.188 4.579 30 10 CJEE CCCCCCCCCC[C@@]1(C=O)C[C@H]2CC[C@H]1O2 317391637 JXFKJLNNUZMZFM-ZACQAIPSSA-N 266.425 4.654 30 10 CJEE C=C(CC)C[C@]1(CNCC(C)C)CCC[C@H](C)C1 319985568 OOJUPDQLWUKNPY-DLBZAZTESA-N 251.458 4.785 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@@]1(C#N)CCC[C@@H](C)C1 380565448 GZOXGVVDYLNQPY-BMIGLBTASA-N 292.766 4.528 30 10 CJEE CC(C)Cc1ccc([C@@]2(C)CC[C@](C)(CC#N)O2)cc1 380575528 UZSWZOQGSCUEHM-QZTJIDSGSA-N 271.404 4.583 30 10 CJEE CCCN[C@H](C)c1ccc(SCCCCCC#N)cc1 385344178 YXSDYMRDMJUIAS-OAHLLOKOSA-N 290.476 4.923 30 10 CJEE C[C@H](N(C)CCCCCCCCCS)C1(C)CC1 386133699 VZQCPYOKYGHUHP-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CC(C)N(CCCCCCCCCS)CC(F)F 386866244 CIPSXOQPEGUNEP-UHFFFAOYSA-N 281.456 4.622 30 10 CJEE C=C(CC)C[C@@H](NCC)c1c(C)cccc1Br 393868822 VAEQACURWGNVHW-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CC(C)Oc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 453304730 HNIKUQOFCCAEOR-ZDUSSCGKSA-N 298.361 4.658 30 10 CJEE C=CCCCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 479529603 UCCKNVXNDJCSHM-SNVBAGLBSA-N 286.202 4.527 30 10 CJEE N#CCc1ccc(F)cc1-c1c(Cl)cccc1Cl 514263278 ACQRQGCNKFUXRC-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CC(C)(C#N)CCCCN[C@@H](C(F)F)C1CCCCC1 598650348 RIUXVXYGEWKLSV-CQSZACIVSA-N 286.410 4.510 30 10 CJEE CCCC[C@H](CC)C/N=C1/NC2(CCCC2)CCS1 687319211 ZHBWDDDMHOKQTP-AWEZNQCLSA-N 282.497 4.598 30 10 CJEE CC[C@@H]1CCCCC[C@]1(C#N)NC1CCCCCC1 691077636 PEVGMTJYRBIFSG-NVXWUHKLSA-N 262.441 4.551 30 10 CJEE CCc1ccc(Nc2cc(F)cc(C#N)c2)cc1Cl 691226795 HEGCFCYFNJPIGE-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2cccc(C)c21 692190801 LZNXMMDJHBJBSE-ZFWWWQNUSA-N 286.444 4.941 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(SC)cc3)C[C@@H](C1)C2 697305608 ZVFMPZOTKZQCQN-MZBDJJRSSA-N 273.445 4.955 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1CC12CC2 698106808 ARRCPRJKYDARRZ-DLBZAZTESA-N 280.500 4.929 30 10 CJEE CC1(C)CCN(c2ccc(C#N)cc2Cl)CC(C)(C)C1 699697596 QINNVCGASWOHQQ-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCOC2CCCC2)CC1 701400459 KZVSPAJGBSZDKD-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE C[C@@H]1C[C@@H](NC[C@@H](C#N)C2CCCCC2)CC(C)(C)C1 708266721 JIFFCKGABCSPLI-DJIMGWMZSA-N 276.468 4.511 30 10 CJEE CSc1cccc(N[C@H](C)[C@]23CCCC[C@@H]2C3)c1C#N 708879993 RGLWCHBFCKXMGN-PBFPGSCMSA-N 286.444 4.661 30 10 CJEE C=C(Cl)C[C@H]1CC(C)(C)CC[C@@H]1CNCCC 710616634 KRZJBTKTGYAQCR-KGLIPLIRSA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)C 710642606 UFYFXRAGHVMSER-ARFHVFGLSA-N 271.876 4.816 30 10 CJEE C=CCC1(CNCCC)CC(C)(C)CC(C)(C)C1 710837229 NGGNYAPGCCHYKC-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@]1(C)C(=O)CCN1c1ccccc1 711968917 CAVQKVYIMSZIKT-GOSISDBHSA-N 273.420 4.585 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NCCC)cc1 715759664 WCQPYJAAPFKVNU-UONOGXRCSA-N 263.450 4.804 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cscc1C(F)F 717221248 PQHGHYYIIUYMMB-BXKDBHETSA-N 259.365 4.549 30 10 CJEE CSc1cccc(N[C@H]2CC(C)(C)CC[C@H]2C)c1C#N 717431131 ITCQSDKEOIELCN-DOMZBBRYSA-N 288.460 4.907 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 721399119 UZQTVVWVBPWXIK-YIYPIFLZSA-N 289.341 4.597 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@H](C)C2)CC1 724590511 WQCVCSWIVRBMES-JQHSSLGASA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)C23CCC(CC2)CC3)CC1 724598710 CYKWYSYKRDBXJP-IIIMJFFVSA-N 261.453 4.681 30 10 CJEE CCCCCCCCC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C 791885511 QHUSLQYGDQPVNF-OLZOCXBDSA-N 293.373 4.536 30 10 CJEE CCN(CC)c1ccc(N=Cc2sccc2C)cc1 1084334538 HAFHURWHPZZDSX-UHFFFAOYSA-N 272.417 4.653 30 10 CJEE C=CCCCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 1176045096 RAVUECVEPYZTLZ-QGZVFWFLSA-N 285.431 4.769 30 10 CJEE C=CCCCN(CC)Cc1csc(C2CCCCC2)n1 1176798838 ZZBLJUTUHJNNHA-UHFFFAOYSA-N 292.492 4.979 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@@H](CC)[C@@H]1C)c1ccccc1 1269695675 VTAWOGZFWRAOOR-SCTDSRPQSA-N 299.458 4.774 30 10 CJEE C=CCC1(C(=O)N(C)C2CCC(C)CC2)CCCCC1 1352906308 AONFEOLVLKKXQN-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCc2cc(C(C)(C)C)ccc21 1356404838 ZZEXWBOOQVCVMC-UHFFFAOYSA-N 299.458 4.866 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 1436513270 MODNDUIWLDVIML-CQSZACIVSA-N 283.415 4.510 30 10 CJEE C=C(C)CCN(Cc1ccc(F)cc1Cl)CC1CC1 1460103144 XUOLPJNOCZKKRK-UHFFFAOYSA-N 281.802 4.657 30 10 CJEE C=CCCCCCCCCNC(=O)C1CCC(=C)CC1 1460624135 BJOHYPXXZDQWQW-UHFFFAOYSA-N 277.452 4.766 30 10 CJEE C=CCCCC[C@@H](C)NCCCc1cccc(Cl)c1 1462179663 YVGXKCFPQBMURD-OAHLLOKOSA-N 279.855 4.997 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCc1ccc2ccccc2c1 1519990289 YUSXTKLKNSSZJO-INIZCTEOSA-N 295.426 4.633 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCc2cc(C(C)C)ccc21 1525040208 BPSUKWKEPMOFLW-UHFFFAOYSA-N 285.431 4.692 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(Cl)cc1 1528327459 HRWLRGCBIDUVCT-NHYWBVRUSA-N 266.768 4.547 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCCC)[C@@H](C)c1ccccc1 1532402575 CUBVQDJUSXYQSU-IRXDYDNUSA-N 287.447 4.979 30 10 CJEE C#CCN(CCCC1CCCCC1)[C@H]1CCc2ccccc21 1559499063 HLZCEUHEACVOQB-NRFANRHFSA-N 295.470 4.970 30 10 CJEE C#CCCCCNCc1cccc(-c2ccc(C)cc2)c1 1560395299 JTVWWOUVFGWHAP-UHFFFAOYSA-N 277.411 4.555 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CCC1CC1)c1ccc(F)c(F)c1 1560763766 DLWWSBBOSRYQOV-SJCJKPOMSA-N 279.374 4.750 30 10 CJEE C=CCCC1(CNC(=O)[C@]2(C)CCC[C@H]2CC)CCCC1 1586149180 DSSBVFLAJRXDQE-SJLPKXTDSA-N 291.479 4.846 30 10 CJEE C=CCCC1(CNC(=O)[C@]2(C)CC=C(C)CC2)CCCC1 1587244492 WPZYCEKMQSUQBK-GOSISDBHSA-N 289.463 4.766 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CCCCC1(C)C)c1ccccc1 1587282431 GJKGDTHTQLXFJT-CVEARBPZSA-N 272.388 4.673 30 10 CJEE C#CCC1(NC[C@H](C)C2CCCCC2)CCCCC1 1620612161 WWIFEKKOSOFZIO-INIZCTEOSA-N 261.453 4.519 30 10 CJEE C=CCC(C)(C)CN[C@H](CCC)CCc1ccccc1 1621355023 KWJBWBULMZKGHJ-GOSISDBHSA-N 273.464 4.980 30 10 CJEE C#CCCCCCCN1CC(C)(C)[C@@H]1c1cccs1 1646032196 OXUYVTTXRDRIAP-INIZCTEOSA-N 275.461 4.715 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncnc2sc(C)cc12 1651237760 YQJYZLWBTKZATK-TZMCWYRMSA-N 287.432 4.547 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccccc2C1 1651319223 FEVZKZDPAUVLEW-YZGWKJHDSA-N 283.459 4.659 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCC2(CCCCC2)O1 1652196127 CEQPLVZDCVQZJL-ROUUACIJSA-N 293.495 4.983 30 10 CJEE C=CCN(CCCc1ccsc1)Cc1ccccc1F 1653202545 PHSHXXQOWPDPOI-UHFFFAOYSA-N 289.419 4.508 30 10 CJEE C=CCN(Cc1coc2ccccc12)c1ccccc1 1657813116 SJEZJLJDYKXVKA-UHFFFAOYSA-N 263.340 4.625 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(Br)cnc1C 1658160423 VULVHUBPZXWTPG-NSHDSACASA-N 297.240 4.699 30 10 CJEE C=CCCCCC[C@@H](C)NCc1c(F)cc(F)cc1F 1665618915 QOEFYFRULRKCRM-GFCCVEGCSA-N 285.353 4.719 30 10 CJEE C=CC[C@H]1N(C(=O)O[C@H](C)CC(C)C)CCCC1(C)C 1668915400 JILKLQXQVSAMFV-HUUCEWRRSA-N 281.440 4.624 30 10 CJEE C=CCCCCCCNC(=O)N[C@H]1CCC[C@H](C(C)C)C1 1677203586 WLCMBWAXVWZGRG-IRXDYDNUSA-N 294.483 4.637 30 10 CJEE O=C(Nc1ccc(Cl)cc1)ON=C1CCCCCCC1 1860820858 WPEDFTWAVAONOX-UHFFFAOYSA-N 294.782 4.989 30 10 CJEE N#Cc1csc(CN[C@@H]2CCCCC23CCCCC3)c1 1875417565 CWVXQDWKMUSLIU-MRXNPFEDSA-N 288.460 4.602 30 10 CJEE O=CC1(CC2CC3(C2)CC32CC2)CCCCCCC1 1877099673 BUTCVKXPPDPCPS-UHFFFAOYSA-N 260.421 4.886 30 10 CJEE CC[C@H]1CC[C@H](CNc2ccc(C#N)cc2Cl)CC1 1878040389 DYWGSSLAAVUWFO-JOCQHMNTSA-N 276.811 4.840 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](CCC)COC 1879021207 WOBGNSNJXOHCSS-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE CCCCCCCCC=CI 1880542864 DLUIIUGXYKFZRE-UHFFFAOYSA-N 266.166 4.686 30 10 CJEE CCCCCCCCCCN1CC[C@H](OC(C)C)C1 1883841212 XWLTVIJSCBRKHG-KRWDZBQOSA-N 269.473 4.626 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H](C)OCc1ccccc1 1885308209 JCCMFVZSAVANNW-HKUYNNGSSA-N 289.463 4.706 30 10 CJEE C=C(c1ccccc1)[C@]1(O)CCC[C@H](C(C)C)CC1 1888705948 QTLIQXWWVXNUDA-WMZOPIPTSA-N 258.405 4.667 30 10 CJEE C[C@H](CCS)CCSC[C@H]1CC[C@H](C)CC1 1899442830 AVLJGLYEJUPXKN-MGPQQGTHSA-N 260.512 4.892 30 10 CJEE C[C@@]12CC3CC(CC(=O)C=CCl)(C1)C[C@](C)(C3)C2 1911801167 RGONSIHCYOKFAA-PYCGDYPRSA-N 266.812 4.695 30 10 CJEE C=C(C)[C@@](C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1919657622 VTHJXRBYZVCFGQ-LLVKDONJSA-N 298.226 4.508 30 10 CJEE C=C(C(C)(C)C)[C@@](O)(CC)c1cccc(Cl)c1 1919876970 PQPYOODVTKFSJG-HNNXBMFYSA-N 252.785 4.540 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(C)ccc1OC 1919907293 WAAWYGRRTWGDHD-QGZVFWFLSA-N 264.409 4.572 30 10 CJEE C=C([C@@H](Cc1cc(C)ccc1C)NCCC)[Si](C)(C)C 1922862033 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C=CCCCCCC[S@@](=N)(=O)CC12CCC(CC1)C2 2274351807 ANZBNOSGHGBSCQ-LADRWXRNSA-N 283.481 4.750 30 10 CJEE C=C(C)CCCC[C@@H](CCCCCC)OCC(=O)O 2276113840 JMIDKMLPMBFACY-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1csc(C)c1C 2276512087 UNFRADRFFQQBRC-MRXNPFEDSA-N 281.465 4.518 30 10 CJEE CCCCCCCCC[C@@]1(OCCCN)CC[C@@H]1C 2276635298 QLVUWRUIXZADJV-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CCCCCC)OCCCN 2276916546 PJYYBBDKXIELJL-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C1C2CC3CC(C2)CC1C3 2277557588 QSRHDLVQZAGPPI-BIIBTNFESA-N 257.421 4.779 30 10 CJEE O=C(C#Cc1ccccc1Cl)C1CCCCCCC1 2277777740 GHOIAVXSQBFQHI-UHFFFAOYSA-N 274.791 4.621 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1coc(C)c1 2284161228 HJCFCMZEZWTYEE-KRWDZBQOSA-N 273.420 4.625 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1(C)C(C)(C)C1(C)C 2284166522 ZLNQNBBTAWBKKP-OAHLLOKOSA-N 275.480 4.643 30 10 CJEE C[C@H]1C[C@H]1CCCCCC1(C=O)Cc2ccccc2C1 2284922909 BSKHOUZRTMSCJD-JKSUJKDBSA-N 270.416 4.577 30 10 CJEE C=CCCCSC[C@H](NCCC)c1cccc(F)c1F 2287079269 TZEXDUNOXZVMON-HNNXBMFYSA-N 299.430 4.705 30 10 CJEE C=C(C)CCCCO[C@@H]1CC(C)(C)CC[C@H]1NCCC 2287413648 KQJPBGWCBHOSOX-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccccc1C1CCC1 2287465394 KBQUZIHFNNUISJ-GOSISDBHSA-N 272.436 4.595 30 10 CJEE C=CC[C@@]1(COCCCCCCCCCC)CCCN1 2287849182 LDIHFWNWSVICRC-SFHVURJKSA-N 281.484 4.842 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CC)[C@H](C)CN(C)C 2288831119 HDXZCRWWSZCOFO-FGTMMUONSA-N 284.532 4.691 30 10 CJEE CSc1cccc(NC[C@@]23CCCC[C@H]2CC3)c1C#N 2288991957 MLWGWOBYPYMTPA-GUYCJALGSA-N 286.444 4.662 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1C[C@H]1C(C)(C)C 2289856284 ZXVWYWXQDSWMJH-RCCFBDPRSA-N 275.480 4.621 30 10 CJEE C=CCCCCCC[C@H](CC(CC)CC)OCC(=O)O 2292425413 ISUQRGXAVPZNGQ-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H]1[C@H]2CCC[C@H]21 2293409410 ACWGYITZFAXFHH-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@H]1C)OCCCN 2293624576 QTVOYDIHBYBSRU-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@@H](C)[C@@H]1C 2293655573 RQAGIXRNMAQLBS-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1C[C@H]2CC[C@H]1C2 2293684154 UEXUSPPXIUYWGG-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCS[C@H](C)C1 2293874660 YNMYQQZVVNGFJR-SJORKVTESA-N 299.524 4.533 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C(C)C 2294000049 IKNMBVZEVUIHKG-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C=CCC1)OCCCN 2294141586 JZYGZLKRJYWRNV-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC1(OCCN)CC(CC2CC2)C1 2294594642 MLXAUQKHXOOZKR-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE C#Cc1ccc2c(ccn2CCc2ccc(Cl)cc2)c1 2295205336 RWJPEVXBGVCMNO-UHFFFAOYSA-N 279.770 4.519 30 10 CJEE CCCCCCCCC[C@H](C)NCCn1cc(Cl)cn1 2295676038 HNQDXMOBGGQRCY-HNNXBMFYSA-N 299.890 4.655 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](CCC)N(C)C 2295682265 OMMBYFODERXYGS-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CCO[C@H]1C 2295692592 YDOJSFAOQZMIPS-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NCCC)[C@@H]1C 2295693645 IEXBFDHUYZCHMQ-ZACQAIPSSA-N 296.524 4.750 30 10 CJEE C=CCC(CC=C)SCc1nccc(Cl)c1C 2298916366 QLLKAKHVPFHPGI-UHFFFAOYSA-N 267.825 4.797 30 10 CJEE C=CCC(CC=C)c1cc(Cl)c(F)cc1OC 2301044777 VBFDYROCGDKETL-UHFFFAOYSA-N 254.732 4.724 30 10 CJEE CC#CCCCCNc1ccc(C)c(Br)c1F 2307570012 ILEMVSIDAPJOHJ-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1 2315436516 OTJBQLOJBFLRMR-DUVNUKRYSA-N 263.812 4.735 30 10 CJEE C=C(C)CCCCN(C)CCc1ccccc1Cl 2316806819 HBZXQKZFKAUEJK-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE CCC(=NOCc1ccc(F)cc1)c1ccc(F)c(C)c1 2318633883 SVMHQDFSEOLLAO-UHFFFAOYSA-N 289.325 4.604 30 10 CJEE CC1(C)CC[C@@H](CC2(C#N)CCC(F)(F)CC2)C1 2319139660 YCXOZKJSXAVZBB-GFCCVEGCSA-N 255.352 4.922 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1c(C)ccc(Cl)c1F 2321134025 KZQIEMGWRIQXGY-XHDPSFHLSA-N 269.791 4.650 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cccc(Cl)c1F 2321177480 QBKAKWUQKQNVDU-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE CC(C)(COC[C@](C)(CS)C(C)(C)C)C(F)(F)F 2327106918 QXHZINVBOBPDDD-GFCCVEGCSA-N 286.403 4.574 30 10 CJEE CC1(COC[C@](C)(CS)C(C)(C)C)CCCCC1 2327168488 PYUWYPXICSOFRR-MRXNPFEDSA-N 272.498 4.956 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(CCC)cc1 2335203961 PUHJXNOEROYNNT-HNNXBMFYSA-N 257.421 4.811 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CC2(CCCCCC2)C1 2337064311 PSUQLPQKHXNFNZ-WBVHZDCISA-N 261.453 4.824 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)O)c(C)c1C 2340857461 WTCGZPKUHYEZNN-OAHLLOKOSA-N 264.409 4.706 30 10 CJEE C#CCCCCCNCCCc1cc(Cl)cc(Cl)c1 2341172100 SOOQFSQOFBHPEQ-UHFFFAOYSA-N 298.257 4.709 30 10 CJEE C[C@@H]1C[C@@H]1CCCCNc1cc(Cl)c(F)cc1C#N 2341418029 IBFCASJLSBIRQU-MNOVXSKESA-N 280.774 4.589 30 10 CJEE O=CC1(CC[C@@H]2CC[C@@H]2C2CC2)CCC2(CC1)CC2 2342538704 VXWPBPHBASDYMH-JKSUJKDBSA-N 260.421 4.742 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCCC 2344336320 IEZRCHKNGIXMKU-WCXIOVBPSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(CC)cc1 2344338193 XKJKJVMRRLENCR-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](CCc1ccccc1)NCCC 2344372526 SMZDXOBCLBWEJO-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1[C@H]2CCCC[C@H]12)NCC 2344377130 IAVFLVRIYYNILI-LAQRGFTBSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CCC[C@H]1C(F)F)NCCC 2344382173 FGPLHIDHOQHGBH-BYNSBNAKSA-N 273.411 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CCCCCOC(C)(C)C 2344457541 PBVVDKGFCZHDDO-DOTOQJQBSA-N 270.457 4.715 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc2cccc(C)c2o1 2344459066 DUTGYWIOEUWYMZ-DLBZAZTESA-N 258.361 4.767 30 10 CJEE C=CC1(CNCC[C@@H]2CCC(C)(C)C2)CCCCC1 2344848941 PBPYAWWDDFKAAT-INIZCTEOSA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)[C@H](NN)c1c(Cl)cc(C)cc1Cl 2353124118 AHLPCZMFPPZRQH-HNNXBMFYSA-N 299.245 4.575 30 10 CJEE CC(C)C[C@@H](CS)CO[C@@H]1CCCc2ccccc21 2353825952 DUULGGVZMWLDRG-RHSMWYFYSA-N 278.461 4.673 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C#N)c(SC)c1 2353825984 SXBCXLFKFZCUNW-SWLSCSKDSA-N 275.417 4.628 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@](O)(CC#CC1CCCCC1)C2 2354156331 UYJBZSZVSKRMLT-CEXWTWQISA-N 274.448 4.682 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1)C(F)(F)F 2357719768 HUAXMNZZCJNGPZ-RRFJBIMHSA-N 289.385 4.690 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359122011 YENKDXNIHZUSPQ-BSDSXHPESA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@H](NCC)c1ccccc1 2360200132 FSWKLUVODCXWHO-YJBOKZPZSA-N 289.488 4.980 30 10 CJEE C=CCC(CC=C)Nc1ccc(C#N)c(C(F)(F)F)c1 2360327749 QAKGJDDUSFJUOS-UHFFFAOYSA-N 280.293 4.510 30 10 CJEE C=CCC(CC=C)SCc1ccc(C=CC(=O)O)cc1 2360334128 QEKAGHVOIXNNPH-UHFFFAOYSA-N 288.412 4.538 30 10 CJEE C=CC[C@@H](C)SCc1cccc([N+](=O)[O-])c1NCCC 2360356815 VMYXIVGSYOWHOA-GFCCVEGCSA-N 294.420 4.615 30 10 CJEE CC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1 5229421 CEUDUVXTOSGFDY-DEDYPNTBSA-N 273.335 4.793 30 10 CJEE CCc1ccc(OCc2ccccc2C#N)c(C(C)(C)C)c1 11834128 OXGCRVZZVAHPAI-UHFFFAOYSA-N 293.410 4.997 30 10 CJEE CC[C@H](Nc1cccc(C#N)c1)c1cccc(Cl)c1 20020820 AEPGOCHKNAVDNE-INIZCTEOSA-N 270.763 4.775 30 10 CJEE CC(C)(C)c1ccc(COc2ccc(CC#N)cc2)cc1 20567224 JQRZDYMMAFMMAX-UHFFFAOYSA-N 279.383 4.629 30 10 CJEE Cc1ccc(Oc2cccc3c(Cl)c(C#N)cnc23)cc1 21009953 ZVRNRJNRMPZJLE-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE SCc1csc(C(c2ccccc2)c2ccccc2)n1 31890236 QCUYFWUXCSXGDO-UHFFFAOYSA-N 297.448 4.753 30 10 CJEE Cn1cc(/C=C\C(=O)c2ccc(Cl)cc2)c2ccccc21 33414333 IBZSKTDUGQRODU-FLIBITNWSA-N 295.769 4.728 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Cl 37936087 FYCGWLJDXMHZIE-CQSZACIVSA-N 277.154 4.670 30 10 CJEE Cc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1Cl 54823000 ZZHLEJDLLYFRGA-DOMZBBRYSA-N 262.784 4.533 30 10 CJEE Clc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59250345 PUROMCBZQCYGDP-CPNJWEJPSA-N 280.758 4.881 30 10 CJEE CCCCCCCCNc1ccc(NC(=O)CC)cc1 59456680 YXSJSILWGRLZIM-UHFFFAOYSA-N 276.424 4.808 30 10 CJEE N#Cc1ccc(Nc2ccc3ncccc3c2)c(Cl)c1 62793845 FHIBJASSKVCXQE-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cc(Cl)ccc2C#N)C1 71132192 OAXCXSHCBLIZGH-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE Cc1ccc(Cn2c(Cl)c(C#N)c3ccc(C)cc32)cc1 71466405 DZAZXQBPEWHAPY-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)s2)C1 83791887 KHMVBFGPPXICDW-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE CCC[C@H](C)c1nc2cc(C#N)ccc2n1C(C)(C)C 86637140 FODNSYQYHWIEAZ-LBPRGKRZSA-N 269.392 4.567 30 10 CJEE N#C[C@]1(Cc2ccccc2Cl)CCCc2ccccc21 87930124 AFVOGCZLGZVZLI-GOSISDBHSA-N 281.786 4.680 30 10 CJEE CCC(CC)n1ccc(C[C@]2(C#N)CCC[C@H](C)C2)n1 87930276 ZUCIRIHAXRGQCV-YOEHRIQHSA-N 273.424 4.507 30 10 CJEE CC1CCC(C#N)([C@]2(O)CCC[C@H](C(C)C)CC2)CC1 91903474 ABSUTXJGITVBEV-IKJBURDNSA-N 277.452 4.674 30 10 CJEE CCC(CC)(CS)COc1cccc2c1OC(C)(C)C2 94582679 WJORZDJPSFNCSQ-UHFFFAOYSA-N 294.460 4.515 30 10 CJEE CC1CCC(OCC2(CS)CCCCCC2)CC1 94583612 TYSLTHASGLBFHK-UHFFFAOYSA-N 270.482 4.852 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc2cccnc12 97284039 KCRPNIGDUUSWTO-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCCCCCCCNCc1ccc(OC(C)C)cc1 100048988 ZKEJNPAHNMETBR-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2)c(Cl)c1 103997113 HTQXXQGXEJNPRY-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE C#CC[C@@H](CC)c1cc(C)cc(C)c1OCC(C)C 107666260 YLUCYCJMAHZYGU-MRXNPFEDSA-N 258.405 4.855 30 10 CJEE CCCCCCC[C@@H](CN)N1CCC(CC)(CC)CC1 110027445 LEUQMMSHJGQHHF-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)cc1Cl 110255479 QCWHHRNGNQPYAX-NSHDSACASA-N 250.773 4.592 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1cccc2ccccc12 110465518 LOJWYFAFAFUBBQ-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CCCCCCCCOc1cc(CC)sc1C(=O)O 112395085 ITBXNHYMUCMARE-UHFFFAOYSA-N 284.421 4.748 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OC)cc1 112888472 BKUXDKDYMSORJL-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1cccc(F)c1 113022982 KQDZNJXJOCAGNQ-QGZVFWFLSA-N 279.443 4.954 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C1CCOCC1 115761854 QIVYQBMQPKMYBS-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](CSCC)NCCC 115799329 MRWYEDNPDHWTCV-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc([C@H](C)O)c1 115858899 NKSZZRAHIHZOAX-HNNXBMFYSA-N 291.435 4.819 30 10 CJEE CCCCCCCCCCNc1cncc(Cl)n1 124887710 LVHOMCBEIRZODZ-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ncc[nH]1 126796117 BHDKCLCAHXUTMU-OAHLLOKOSA-N 265.445 4.591 30 10 CJEE CCCCCCCC[C@H](O)CCCC(F)(F)F 134151419 PHNGOIJCDUXHDG-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE N#CC1(Cc2ccncc2Cl)CCCCCCC1 158870459 GPBPRHJGOSPAKK-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCOC1)NCCC 166451562 QVAOMTPJZQIYKQ-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=CCCC[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC 167720829 NXQBYVTZJYUSEZ-MRXNPFEDSA-N 299.380 4.972 30 10 CJEE CC#CCC[C@@H](NCCC)C1CCC(CCC)CC1 168158136 CANKTSVGYDSXHH-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CCC[C@H](NC(=O)OCc1ccccc1)c1ccccc1 214171135 YFAXKDMOOBOOJW-SFHVURJKSA-N 295.382 4.620 30 10 CJEE CCCCCCC[C@@H](C[C@H]1Cc2ccccc21)NC 229733118 XKHPTHXNPWYBFB-SJORKVTESA-N 259.437 4.665 30 10 CJEE C=CCCCCC[C@H](CSCCC)NCCC 233163511 SFZJXEXVXMQMHX-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCC 233511916 PJPGOEFUBYRARM-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@](C)(CC)N(CC)CC 233604756 LQKJGXHDKOINHR-QZTJIDSGSA-N 282.516 4.612 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@H](C#N)c1ccc(Cl)cc1Cl 252199179 SXBBAHHTJKOSMJ-VCTAVGKDSA-N 297.229 4.726 30 10 CJEE C=CCCC[C@H](NC)[C@@H](c1ccccc1)[C@H](C)CC 253052795 WNSNDYPEDDCFHU-BPQIPLTHSA-N 259.437 4.761 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C)cc(C#N)c2)s1 308100574 GCEFDJQHQZXCGN-GFCCVEGCSA-N 270.401 4.664 30 10 CJEE C=CCCCCN[C@H](CC)c1cccc(Cl)c1 310321722 XETOPARALYEXME-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(F)c(Cl)c1 311434986 RMRAOVJQOUEWLM-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CCCCCCCCCOc1cc(F)c(C)cc1N 311442972 WFZADRDTWQPPNV-UHFFFAOYSA-N 267.388 4.846 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1c(C)cnn1C 312547730 IUQAHDNXMXLMMQ-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCc2ccccc21 318329526 XNRMOORFQDTTQQ-IBGZPJMESA-N 271.448 4.615 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1cc(Cl)ccc1OC 319882418 XFECWVJLASMIEC-MISXGVKJSA-N 265.784 4.638 30 10 CJEE C#C[C@@H](Nc1cccc(Cl)c1Cl)c1ccccc1 378758211 SURHFMLZTXVHCT-CYBMUJFWSA-N 276.166 4.780 30 10 CJEE C=CCSCc1ccc(Br)cc1Cl 379346446 FUXBDVBKAQUGKJ-UHFFFAOYSA-N 277.614 4.522 30 10 CJEE C=CCC(C)(C)COCc1nc(Cl)ccc1Cl 383280793 INFHJNKKZQNDBK-UHFFFAOYSA-N 274.191 4.507 30 10 CJEE CC(C)(C)SCC[C@]1(C#N)CCc2ccccc2C1 388600945 DCKLTOJZXVZLAF-QGZVFWFLSA-N 273.445 4.607 30 10 CJEE CCCCCCCCCCCCC(=O)Cn1cccn1 396075735 RDCZIGOUIRVSSU-UHFFFAOYSA-N 278.440 4.763 30 10 CJEE N#CCc1cccc2c(Cl)c(C(F)F)sc12 396183791 AUWTXLVRBDGKOK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2C[C@H]3C=C[C@H]2CC3)CC1 402312493 CTMJCXXGOBTGRC-JYJNAYRXSA-N 260.421 4.764 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H](CC)CC(F)(F)F 402574502 QHFVNBAXVWLDGL-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE N#C[C@@H]1CC[C@H]([C@@H]2C[C@@H]3CCCc4cccc2c43)C1 442761239 BTANJKAROJMJHD-DYWXZXKOSA-N 251.373 4.534 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)C[C@H](C)O[C@@H]1C 686462218 WIQBGAOROOAFDQ-LZLYRXPVSA-N 283.500 4.919 30 10 CJEE C#CCCCCCN(C)[C@@H](C)c1cccc(Cl)c1 686680783 FFAFUUJYHTZWSF-AWEZNQCLSA-N 263.812 4.526 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC(F)(F)C1 686697627 RJXCTCDJQVFFIF-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CCc1ccc(CC)c(N[C@H]2CCCCC[C@H]2C#N)c1 689530070 WFSNUDPDCRVHFC-IRXDYDNUSA-N 270.420 4.696 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@]12CCC[C@H]1C2 693139679 QTQAZLNEFKBTFK-ULQDDVLXSA-N 266.473 4.539 30 10 CJEE CCSc1cccc(N2CCC[C@H](C(C)C)C2)c1C#N 694407197 VPSOONVGJSHREM-AWEZNQCLSA-N 288.460 4.543 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCCCN1C 700152620 MKTQWNDCTJHRQI-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCCCCC[C@@]1(CNCC(C)C)CC1(C)C 702172868 SCJVNOZQLKMAIN-KRWDZBQOSA-N 251.458 4.785 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCC12CCCCC2 703723325 ZYHQULWYYGXRPC-INIZCTEOSA-N 295.536 4.911 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(CC)s1 703748091 JSERQIWETCXGCF-CYBMUJFWSA-N 253.455 4.932 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(Cl)cn1 703908037 UOCSCJUOLBVBHU-OAHLLOKOSA-N 282.859 4.746 30 10 CJEE C=CC[C@H](C=C)O[C@H](C)C(=O)c1ccc(Cl)cc1Cl 706111056 WQJSWWOVAQHTCZ-PWSUYJOCSA-N 299.197 4.712 30 10 CJEE CCCCCCCCCCC1(N)CC(SC)C1 706776192 REJOXDJMOSKQCS-UHFFFAOYSA-N 257.487 4.740 30 10 CJEE CCC(Nc1cc(Cl)ccc1C#N)(C1CC1)C1CC1 707488357 TVXCLLGLHJFFRP-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1C(C)C 709344504 NGXINPDPYCYTII-BDXSIMOUSA-N 263.469 4.926 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 710617949 VJWHTGRFIGTBAN-AGIUHOORSA-N 297.792 4.866 30 10 CJEE CCCCCCC[C@@]1(C)C(=O)CCN1Cc1cccs1 712009206 SZOUIVANMTZUSQ-KRWDZBQOSA-N 293.476 4.642 30 10 CJEE C[C@@H](CCC(C)(C)C)/N=C1/NC2(CCCCCC2)CS1 713258334 XZJKQBUOHRUOKR-AWEZNQCLSA-N 296.524 4.987 30 10 CJEE CCCC1CCC(C=O)(CC2C[C@@H](C)O[C@H](C)C2)CC1 724381253 AWAWWIYYHGZXMB-RSIVFMTNSA-N 280.452 4.756 30 10 CJEE C=C1CCC(CC(=O)Cc2ccc(F)cc2Cl)CC1 724589324 DMULVIHBAYPGAF-UHFFFAOYSA-N 280.770 4.727 30 10 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C=C[C@@H](CC)CC(=O)OCc1ccccc1C(C)(C)C 1266410742 PGZLKPZLWRKQJG-AWEZNQCLSA-N 274.404 4.630 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1 1288363982 DJVMZEHLVZBYFU-HCXYKTFWSA-N 297.442 4.636 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2c(C)cc(C)cc2C)C1 1307914567 HSKVHQZVVSTZKU-MSOLQXFVSA-N 271.448 4.961 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccccc1)c1ccccc1 1354039453 INRWDNMZMOQLGH-UHFFFAOYSA-N 279.383 4.576 30 10 CJEE C=C1CCC(C(=O)Oc2cc(Cl)ccc2Cl)CC1 1354411587 UHUNSBHLGZELGE-UHFFFAOYSA-N 285.170 4.645 30 10 CJEE C=CC1(CC(=O)NC(C)(C)c2cccs2)CCCCC1 1360324726 ZNCCNWZQPQBLBT-UHFFFAOYSA-N 291.460 4.626 30 10 CJEE C=CC[C@@H](CC)Nc1cc(C(C)(C)C)nc(C(C)(C)C)n1 1458369846 VBSLHMWTHWYHAU-CYBMUJFWSA-N 289.467 4.838 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cc(C)c(C)cc1Cl 1466615667 SEUMFZPGJOYOOM-UHFFFAOYSA-N 294.826 4.777 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1C 1470426562 PJFHPYYCROEBDZ-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C#CCCCCCCN1CCc2cc(C(C)(C)C)ccc21 1473411267 VHCOXILFJPHBRR-UHFFFAOYSA-N 283.459 4.930 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)CC1 1474255381 JLZSKNHVBPLPBQ-JBYOPCTKSA-N 295.470 4.740 30 10 CJEE C=CCCCCCCNC(=O)c1coc2ccc(CC)cc12 1520905364 PHHVPBCAOHVLMT-UHFFFAOYSA-N 299.414 4.862 30 10 CJEE C=CCN(C(=O)CCCC1CCCCC1)c1ccccc1 1525887446 KTHAPHZRDXCOKK-UHFFFAOYSA-N 285.431 4.956 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1538819200 FDKAXUVPWSSJOB-PXNSSMCTSA-N 299.458 4.631 30 10 CJEE C=C[C@H](CC(=O)O[C@@H](C)c1ccc(C)cc1)c1ccccc1 1544199566 GDZBDOHWPLFKFO-DLBZAZTESA-N 294.394 4.959 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F 1545767457 XCXDBBZMHYCURW-INIZCTEOSA-N 295.373 4.525 30 10 CJEE C=C(CC)CN(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1560015979 SHTJWSSNLFMIPE-AWEZNQCLSA-N 299.380 4.925 30 10 CJEE C=CCCCCCCCNC(=O)[C@@]1(C)CCC[C@H]1CC 1583104321 SNNQJSBQJKPJEJ-AEFFLSMTSA-N 279.468 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCC(C)(C)C 1586139726 JMGDNBHUUGCVQV-CVEARBPZSA-N 279.468 4.844 30 10 CJEE C=C[C@@H](OC(=O)CCSc1ccccc1)c1ccccc1 1586194685 NITQELGSPMYBOJ-QGZVFWFLSA-N 298.407 4.639 30 10 CJEE C=C[C@H](OC(=O)c1cccc(Cl)c1C)c1ccccc1 1586195072 TWWLIWQLJILMTQ-INIZCTEOSA-N 286.758 4.733 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@]1(C)Cc1cccc(C)c1 1623629966 AVRAOXBDEJJIGM-HXUWFJFHSA-N 299.458 4.521 30 10 CJEE C=CCCC(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] 1640254865 NAPDCHNUBWCKAT-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE CCCCCCCCCN(C)[C@H](C)c1ccccn1 1652337122 TYDGHNZPMLJAQP-MRXNPFEDSA-N 262.441 4.825 30 10 CJEE C=CCOc1ccc(CNCCC(C)(C)C=C)cc1Cl 1656694127 TUPKTGFQTRQQNC-UHFFFAOYSA-N 293.838 4.597 30 10 CJEE CC#CCN(Cc1ccc(C)s1)c1ccc(CC)cc1 1657615652 JWXDQVJLCMPYEX-UHFFFAOYSA-N 283.440 4.649 30 10 CJEE C=CCCC(C)(C)NCc1ccc(OC)c(C(C)(C)C)c1 1657724510 YJNYUBZRIUSECJ-UHFFFAOYSA-N 289.463 4.827 30 10 CJEE C=CCCCN(Cc1cccs1)c1ccc(F)cc1 1657770838 LLWBMDOVDVZASX-UHFFFAOYSA-N 275.392 4.860 30 10 CJEE CCCCCCCCCN(C)Cc1occc1C 1658771035 LCFJHDBQPPLEQT-UHFFFAOYSA-N 251.414 4.770 30 10 CJEE 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CCCCCCCC[C@@](C)(O)c1ccc(OC)c(F)c1 1919616792 WDFDDPBQYORTHB-QGZVFWFLSA-N 282.399 4.792 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc2c1O[C@@H](C)C2 1919912388 JJBJZDVWJUNMMM-KBXCAEBGSA-N 276.420 4.578 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1sccc1C 1921122202 BJOQCPFIBOZQNM-IAGOWNOFSA-N 297.508 4.819 30 10 CJEE C=C(C)CC[C@@H](C)n1c(S)nc2cc(C)c(C)cc21 1925033046 GOKRUJDIISHETK-CYBMUJFWSA-N 274.433 4.859 30 10 CJEE CCCCCCC[C@@H](C)NCC1CC(C(F)F)C1 1925175386 JAVXGRAQJOFKTN-IYXRBSQSSA-N 261.400 4.616 30 10 CJEE CCCCCCCNC1(CCOCc2ccccc2)CC1 1928735623 MCEXBOAIQUJKKC-UHFFFAOYSA-N 289.463 4.686 30 10 CJEE C=C(C)CN(CCCC1(C)CC1)Cc1ccccc1 1953425573 JKFFIOQNWRVJQQ-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE CCCCCCC[C@@H](C)NCC1CC2(C1)CC2(F)F 1967820303 QPCLHZVZZFBUAF-WLYUNCDWSA-N 273.411 4.760 30 10 CJEE N#Cc1ccc(Cl)cc1NCCC12CCC(CC1)C2 1973946243 WXGSZBGKXYJECC-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=CCCCC[C@@H](O)c1cc(Br)sc1C 1975361605 ANAAFCOREWRPRX-LLVKDONJSA-N 289.238 4.599 30 10 CJEE C=CC1(CC(=O)c2scc(Cl)c2Cl)CCC1 1980012444 LNRLIHRWVJFVOL-UHFFFAOYSA-N 275.200 4.984 30 10 CJEE C=CCCCC[C@](O)(CC)c1cccc(Cl)c1 2009522850 IDSCOSSCHLWBLX-OAHLLOKOSA-N 252.785 4.684 30 10 CJEE CC1(C)CCC[C@@H](C[C@]2(C#N)CCCSC2)C1 2024107635 LOGDDLQWIXQWKN-HIFRSBDPSA-N 251.439 4.630 30 10 CJEE C=CCCCCCCC(=O)c1ccc(Br)cn1 2026016874 IRMWVXNWRPDXNL-UHFFFAOYSA-N 296.208 4.553 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC[C@H]2CCCC2(F)F)C1 2027650479 LURLJHLVGZNJTK-MCIONIFRSA-N 255.352 4.922 30 10 CJEE C[C@H](C[C@]1(C#N)CCC(F)(F)C1)C1CCCCC1 2030366048 FTBXLCJBTGWUEF-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2037305789 VJTMPWJXNYRBJI-CQSZACIVSA-N 290.209 4.909 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)[C@H]1CC[C@H](CC)CC1 2040525347 ISFKMOUSVBCMER-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@]1(N)CCC[C@@H](P(C)(C)=O)C1 2042611839 QSBPNOUASXNNKM-CABCVRRESA-N 273.401 4.610 30 10 CJEE CN(CCCCCCCCCS)CCCC(F)F 2047770068 WZRCRXXZZQLFGZ-UHFFFAOYSA-N 281.456 4.624 30 10 CJEE 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2178141005 WUWRHLZTXPIVBH-UHFFFAOYSA-N 287.432 4.527 30 10 CJEE CCCCCCCCCN[C@@H]1COC2(CCCCC2)C1 2178940965 BYXCTGHGRBTSGM-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCCCC[C@@H](NCCC)C1(O)CC(CCC)C1 2180063936 AUPGLERILSYQBX-LXPRWKDFSA-N 283.500 4.656 30 10 CJEE Cc1ccc(F)c(C(=O)C2=CC[C@H](C(C)C)CC2)c1F 2181647322 ZVKSKJGTGWNELP-LBPRGKRZSA-N 278.342 4.838 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 2181648547 WJTYWLUHLNKPAS-REBRKWNGSA-N 282.374 4.619 30 10 CJEE CCCCCCCO[C@]1(C(=O)O)CCCCCC12CC2 2182362049 RNIFPQMGTOAUNJ-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE CCCCCCCO[C@H]1CCCCC2(CC2)[C@H]1NCC 2182391743 HCEJICNDHMMFBM-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=C(F)C[C@H](NCC)c1ccc(OCCCCC)cc1 2182513331 REJOSEWRBAHEPT-KRWDZBQOSA-N 279.399 4.780 30 10 CJEE CC(C)(C)c1csc(CC2(C#N)CCC(F)(F)CC2)n1 2184888698 OBXXQPPGFFXCAZ-UHFFFAOYSA-N 298.402 4.702 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCOC1(C)C 2187003664 KHQFIJITZSVEET-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE 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30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccccc1CC 2201163370 HMCBKYASFWJFBO-GOSISDBHSA-N 277.452 4.626 30 10 CJEE CO[C@@H]1C[C@](C#N)(C[C@@H]2CCCC(C)(C)C2)C12CCC2 2203202835 KBHICSKPVRYSBF-INMHGKMJSA-N 275.436 4.692 30 10 CJEE CCCCCC#CC[C@H](NCC)C1(F)CC2(CCC2)C1 2203824573 AIGKGJOGFVCUDC-INIZCTEOSA-N 279.443 4.611 30 10 CJEE CCCCCC#CC[C@H](NCC)C1C[C@@H]2CCC[C@H]2C1 2203829133 UNJGAPYFPAYCQL-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@H](NN)C1(C)CCCCCCC1 2203876849 HLTMYLGUIYIPIZ-KRWDZBQOSA-N 278.484 4.543 30 10 CJEE CC#CCCC[C@@H](NCCC)C1C2(CCC2)C12CCC2 2203968801 SAHXXIRIZRJJCP-MRXNPFEDSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(F)cc1COC 2206261953 WZFMYKKQGQFEAQ-QGZVFWFLSA-N 281.415 4.723 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@@H](CC)c1ccccc1 2206893910 FFIHHFDYGZYNKU-ZWKOTPCHSA-N 274.452 4.539 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H](O)CC(C)(C)CC 2206894126 HIQLVUIEUXQFMB-SJORKVTESA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(O)CCCS[C@H]1C 2207379917 UFWWNOHLOQLLEM-DOTOQJQBSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](CN)CC(C)C 2207396697 NOXABTLDYILASE-QZTJIDSGSA-N 283.500 4.665 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](N)CC=C(C)C 2207414499 OQFPBVGMQCRHJO-QGZVFWFLSA-N 279.468 4.936 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@]1(C)CCOC1 2207430878 ZLYVTUPETOFHCO-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1CCCC1(F)F 2207432518 PXAREAXAZSGTTO-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE CCCCCCCCOC[C@@H](NC)C1CCCCCC1 2208051946 MRZGWQZVGACWIX-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C=C1CC([C@@H](O)c2cc(Cl)c(Cl)c(Cl)c2)C1 2210144259 LELHCQWYPPERFG-GFCCVEGCSA-N 277.578 4.646 30 10 CJEE Cc1sc(C2=CC(=O)CCCC2)c(Br)c1C 2211911413 CBHSRYCNBFXBJW-UHFFFAOYSA-N 299.233 4.654 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(F)c(Cl)c1 2213206117 XIWULTGMAHMOCE-UMNHJUIQSA-N 253.748 4.768 30 10 CJEE C=CCCC(C)(C)NCc1sc(C)c(C)c1C 2215537331 LFJGSCLQZZKSPJ-UHFFFAOYSA-N 251.439 4.508 30 10 CJEE C=CCCCCCCCSC(=N)N1CCCCC1 2220081443 GCPREGZSTSZGAY-UHFFFAOYSA-N 268.470 4.667 30 10 CJEE C=CCCCCCCCN1CCC[C@@H](SCC)C1 2220095142 YWEQKRQXFFITRT-MRXNPFEDSA-N 269.498 4.731 30 10 CJEE CCCCCCCCCCO[C@H](C)[C@@H](CC)NC 2223220012 DNIZPMUCCRUBAZ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(C=O)c(Cl)c1 2223242142 MYGBNIRAVSSMKY-CYBMUJFWSA-N 266.768 4.666 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2225312412 WEDCCSQJQXULLP-XYJFISCASA-N 263.469 4.927 30 10 CJEE C#C[C@@H](CC(C)C)NC1CCC2(CCCCC2)CC1 2226327947 UKRAIYRUSOXHEM-INIZCTEOSA-N 261.453 4.517 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2226472286 WEXCWNBUEQXNJR-WDEREUQCSA-N 288.407 4.508 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CCC[C@H](C)O1 2226907946 YKUTVYKNIPUSRR-YESZJQIVSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CC[C@@H](OCC)C1 2227284941 IZIYNOOVFYXRCK-HZPDHXFCSA-N 266.425 4.677 30 10 CJEE C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)C1 2227502861 MCEZURCMWOWEBG-SCVCMEIPSA-N 296.197 4.606 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)ccc1C(=O)O 2231019527 MPERUCBEBCCIIZ-LBPRGKRZSA-N 282.767 4.552 30 10 CJEE CCCCCCCCCCCO[C@H](C)C[C@@H](C)NC 2231079477 LDBDYNLCRKFBKU-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1sccc1C 2231929361 LKIYQBRSENMIRI-HOTGVXAUSA-N 283.481 4.558 30 10 CJEE CCCCCCCN(C)Cc1cc(Cl)cc(C)c1N 2232107868 GWDHNJSKHVPAPG-UHFFFAOYSA-N 282.859 4.633 30 10 CJEE CC1(C)CCC2(CCCN2CC2(C#N)CCCC2)CC1 2233066668 GHGARUHVVGUILN-UHFFFAOYSA-N 274.452 4.505 30 10 CJEE CCC#C[C@H](NCC)c1ccc(-c2ccccc2F)s1 2233781475 HUBLKOZJNRRIRR-HNNXBMFYSA-N 287.403 4.618 30 10 CJEE C=CCCCCCCCCOC[C@H](O)C1(C)CCCC1 2234050244 DLIDKQBTEOMSJN-KRWDZBQOSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1CC(OCC)C1 2235522815 YKLGRPFINQQTLH-ABHNRTSZSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc2nsnc2c1 2235524883 VGEIEXNYHBTIIF-INIZCTEOSA-N 290.432 4.641 30 10 CJEE N#Cc1ccccc1Sc1ccc(OC(F)(F)F)cc1 2235918175 UWRCBHXMQWCUDP-UHFFFAOYSA-N 295.285 4.608 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2238159890 YYRNQOUNNFRSCE-AHCXZYCDSA-N 277.452 4.674 30 10 CJEE CC(C)C[C@](N)(C#N)CSCCCCCCCC1CC1 2239358970 MIJSJSCHOLNWTI-KRWDZBQOSA-N 296.524 4.737 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(N)C#Cc2ccc(Cl)cc2)C1 2239461780 MOVDOXKWUVQBKH-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE CC1CCC(C=O)(Cc2ccc(C3CCC3)cc2)CC1 2240255220 LMOCTEQRBVLUAQ-UHFFFAOYSA-N 270.416 4.892 30 10 CJEE CCCC[C@H](CC)CSC[C@H](CS)C1CC1 2246111724 XHKRVBISKQYPJS-JSGCOSHPSA-N 260.512 4.892 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(Br)cc1 2250152708 NSWGDENNLMSRAA-OAHLLOKOSA-N 296.252 4.760 30 10 CJEE CC(C)CC[C@H](C)[C@H](C#N)c1c(F)cccc1F 2257460341 QBMFPTDMUOMTJK-RYUDHWBXSA-N 251.320 4.644 30 10 CJEE C=CCCSc1sc(CN[C@H](C)CC)c(C)c1C 2258982129 WMHGIUJVPRMXOB-LLVKDONJSA-N 283.506 4.921 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCC[C@H](N)C1 2259047846 AAULYQZNFCBYQN-CVEARBPZSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1nc(C)sc1C 2259192857 KRONAVXIFUJLAK-CQSZACIVSA-N 266.454 4.547 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(OC)s1 2259195236 QMWQDTNWGDTLJY-CYBMUJFWSA-N 267.438 4.544 30 10 CJEE C=C(C)CCCC[C@H](C(=O)O)c1cccc(Cl)c1 2259203407 GNWAACFZKHJDAV-AWEZNQCLSA-N 266.768 4.645 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(SCC)cc1 2259238626 VYGVPMPSRCUSCG-MRXNPFEDSA-N 263.450 4.935 30 10 CJEE C=C[C@H](C)CCN[C@H](c1cccs1)C1CCCC1 2260241533 ZLTXCOJWSTWEFL-BBRMVZONSA-N 263.450 4.781 30 10 CJEE C=C1CC(C[C@@H](C[C@@H]2CCCCC23CC3)NCC)C1 2264851493 HUSUKYLVFAYSQK-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CC[C@H](C(F)(F)F)CC1 2264907357 XTAICIOSEWKHDY-JOCQHMNTSA-N 274.326 4.815 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CCC23CCC3)CC1 2266285456 HFUIRISBZQIDDH-AQFXKWCLSA-N 262.437 4.988 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)Cc1cc(C)cc(C)c1 2271752677 ILRHZKBQMMFTJI-LJQANCHMSA-N 279.449 4.597 30 10 CJEE C=C(C)CCCC[C@@H](CCc1ccccc1C)NC 2271781075 LGJFZYDMJOKXEM-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CCCCCCCCC[S@](=N)(=O)CCCCCOC 2271862810 YAMIMJOQGKSUCA-IBGZPJMESA-N 291.501 4.600 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC(C)(COC)C1 2274102154 CQGQDEIJRRFLRF-KLAILNCOSA-N 269.473 4.530 30 10 CJEE CCCCCC#CCN[C@@H]1CC(C)(C)CCC1(C)C 2274542684 OFXILCRJYDLQCH-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H](NCCC)c1ccc2cc(Cl)ccc2n1 2277655461 IHXNUGDAMFHQCV-OAHLLOKOSA-N 274.795 4.505 30 10 CJEE CC(C)C[C@H](C(=O)C#Cc1ccccc1Cl)C(C)C 2277777533 AMILDOQSQDPYDT-HNNXBMFYSA-N 276.807 4.579 30 10 CJEE C=CCC[C@H](NCCC)c1ccc2cccc(C)c2n1 2279592607 KKEMQSXQOUJPRG-INIZCTEOSA-N 268.404 4.550 30 10 CJEE CC[C@@H]1NC(=NCC[C@@H]2CCCCC23CC3)S[C@H]1CC 2279724789 AYHKBPYJOLSRCC-KKUMJFAQSA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C(C)(C)C1CCCCC1 2284089312 ACQHOJQGBYNNOS-KRWDZBQOSA-N 275.480 4.916 30 10 CJEE C=C(C)CCCCOc1cccc(CNC(C)(C)C)c1 2287409461 VACCBYQVETYGBK-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1(CC2CC2)CCC1 2289721359 RGVQLFPUTNCOJT-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CN(CC#CC1CCCC1)C1CC(C)(C)CC(C)(C)C1 2289854964 OHEOLHVZHBDQKD-UHFFFAOYSA-N 275.480 4.717 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1[C@H](N)C(C)(C)CCC1(C)C 2290326349 QSLQQIKJTXRUIE-HOTGVXAUSA-N 275.480 4.772 30 10 CJEE C=CCC[C@@](CC)(CC1CCCCC1)OCCC(=O)O 2290771154 OXXUEQPOZNBPLF-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]1CC)OCCC(=O)O 2291230907 ZJBRJKKVXJGKDM-HRCADAONSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1sc(C)cc1C 2291441561 JUQDVEBRSCITQW-CQSZACIVSA-N 296.432 4.644 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)c1cc(C)sc1C 2292433441 KTFSGZVSAMBLLR-HNNXBMFYSA-N 296.432 4.644 30 10 CJEE C=CCCCCCCC1(OCCCN)CC(C)(CC)C1 2292775447 CGXJKHWKLYDKSX-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1CC2(CCC2)C1 2293659051 QDHHTVXURKYOHC-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE C=C(CC)C[C@@](CC)(OCCCN)c1cccc(Cl)c1 2294161842 YCVMKCNCSPTEFV-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1CC1(C)C)OCCN 2294493790 HTCCZSDNOBVCMK-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE N[C@@]1(C#Cc2ccccc2Cl)CCCC12CCCCC2 2295222008 OOSIEIPKFFDWOE-GOSISDBHSA-N 287.834 4.523 30 10 CJEE CCCCCCCCC[C@](C)(N)c1c(F)cncc1F 2295599313 QQMAVJMYCMUSEN-INIZCTEOSA-N 284.394 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCC(C)(C)CO 2295676529 LQNPHSFVDDETKX-QGZVFWFLSA-N 285.516 4.904 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@](C)(OC)C1CC1 2295691137 IUGFYSWVYNHDFB-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE Cc1ccc(C(=O)C=CNc2cc(F)ccc2C)cc1C 2296876426 UAEYNTUVYSFMMO-UHFFFAOYSA-N 283.346 4.559 30 10 CJEE O=C(C=Cc1ccco1)c1cc(F)c(Cl)cc1Cl 2297466673 UJMPMBRVEDWYHI-UHFFFAOYSA-N 285.101 4.622 30 10 CJEE Cc1c(CCCCC[C@H]2CO2)ccc(Cl)c1Cl 2301009110 IWBWCFMGMVQZSD-LBPRGKRZSA-N 273.203 4.804 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cscc1C(F)F 2304128695 OUILXNCOWDEKQT-WCQYABFASA-N 260.349 4.712 30 10 CJEE C=C(CC)CN(C)Cc1cc(F)c(Cl)cc1Cl 2306242709 BTWLKBWSKXWIRP-UHFFFAOYSA-N 276.182 4.531 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1cc(F)c(Cl)cc1Cl 2306253274 CWFRRXBSZQXTRY-OQPBUACISA-N 277.166 4.768 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2309125909 MJGHWZSEVMXJLO-RFQIPJPRSA-N 255.352 4.778 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc(C(F)(F)F)cs1 2316678447 UNLXCGNBBCQQEK-LBPRGKRZSA-N 275.339 4.535 30 10 CJEE CCCCCCCCC(=O)C1(C(C)(C)OC)CC1 2320482658 GYGRIRLZDZOLKE-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE Cc1ccc(NN=Cc2c[nH]c3ccccc23)cc1Cl 2322974639 BLZQEWVZCAYKSH-UHFFFAOYSA-N 283.762 4.576 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CC[C@@H]2CC[C@H]1C2 2327117147 ZUBLGNDDWHLQOX-YXWQFLTLSA-N 270.482 4.564 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@]12CCC[C@H]1CSC2 2332980356 DBDIABROXNCXEK-BBWFWOEESA-N 281.509 4.634 30 10 CJEE CCCCC#CC[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC 2333170175 FUTXSTZSJVJVPQ-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cc(F)ccc1C(F)F 2338332697 JRQUKXMZFWQHDW-VIFPVBQESA-N 270.298 4.504 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCCC[C@H]1CC 2338698384 FQKPRWCGFFJLBD-NJAFHUGGSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Cl)cc1F 2338745768 ZMYCASVVWPZAQO-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@]1(C)CC=CCO1 2339748993 QTRQSNCWDSLQIA-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=C[C@@H]1CCCN(CCCc2cc(Cl)cc(Cl)c2)C1 2341131603 MWPKUEWLKFGXMR-CYBMUJFWSA-N 298.257 4.824 30 10 CJEE CSc1cccc(NCCCC[C@H]2C[C@@H]2C)c1C#N 2341409371 LYUWGWRQMOQCLO-STQMWFEESA-N 274.433 4.518 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC(C)(C)OC1(C)C 2344422449 YGCOOZIPJMAFHU-DYVFJYSZSA-N 266.425 4.532 30 10 CJEE CCCCCCCC[C@@](C)(N)C1CC2(CC(F)C2)C1 2344736138 GEIVUFZWWAEUIL-ONNPGMOUSA-N 269.448 4.983 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCC2(CCC2)CC1 2352172794 AUZJZBGKADUFIJ-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CN(C[C@H]1CC[C@@H]2C[C@@H]2C1)CC1(CS)CCCCCC1 2354826242 GCAQIRGPVWEJDT-BBWFWOEESA-N 295.536 4.625 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355842695 FHTQFVWYSBBPGN-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]12C[C@H](CO1)C2(C)C 2359791747 SOXFAYBSBREIIL-JZXOWHBKSA-N 281.484 4.530 30 10 CJEE Cc1cc(Oc2c(C#N)cnc3ccccc23)ccc1Cl 36913440 BDEZRMGQHXRWTC-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1ccc(Cl)cc1 37089200 LCGNWPRSNGDPHD-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC(C)c1csc(Nc2cccc(Cl)c2C#N)n1 52908859 JEEDFURAEIBZAS-UHFFFAOYSA-N 277.780 4.535 30 10 CJEE CCCCCCCCCOc1ccc(CO)cc1OCC 59089531 RMMYBBORQFFBHI-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE Cc1ccc(Nc2c(C#N)cnc3c(F)cccc23)cc1C 64438807 PXIIPUYUAXAONF-UHFFFAOYSA-N 291.329 4.606 30 10 CJEE CCCC(CS)(CCC)COc1ccccc1OC 94582991 RYNJGADIPAJGSY-UHFFFAOYSA-N 282.449 4.590 30 10 CJEE CCC1(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)CCCC1 94902740 FTHMHBOOPOVZDK-QGZVFWFLSA-N 283.415 4.957 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)nc2ccccc12 97283088 GLRLJGNOIUUKSX-SFHVURJKSA-N 268.404 4.550 30 10 CJEE CCCCCCCNCCNc1cc(Cl)ccc1C 100052447 DNLMGDRBQQGJHA-UHFFFAOYSA-N 282.859 4.620 30 10 CJEE CN(Cc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 104001408 HFGXGNOESDAAJV-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C=CC[C@H](CC)c1cc(Br)ccc1OC 107586804 QQXRGZLBCMJIHX-JTQLQIEISA-N 269.182 4.527 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccccc1F 109745591 WIVVWIGZWFSIID-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(F)cc1C#N 111036869 WZIYDPHDNFYXOS-ISTRZQFTSA-N 275.367 4.537 30 10 CJEE CCCCCCCCOc1nc2ccccc2cc1C#N 112729749 GEQZMYKPQJUDNW-UHFFFAOYSA-N 282.387 4.846 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@H]1[C@@H](C)CC 114061655 PSTFEICONPNCDP-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1CC2(CCCC2)NC[C@H]1C(C)C 114068290 XFRKQAIPELXXDJ-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@H](N)c1sccc1Br 128352372 AFTYOTLPAWBUPW-NSHDSACASA-N 290.270 4.871 30 10 CJEE CCCCCCCCN(C)[C@H](C)c1cccc(N)c1 128966776 FAONMGZIRULYSW-OAHLLOKOSA-N 262.441 4.622 30 10 CJEE CC(C)(C)C1CCC([C@@H](O)C2(C#N)CCCCC2)CC1 130332956 ZMCZLVDJEWLNMM-UYSNPLJNSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCC 156178180 VMKQQNOWMZYUDV-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCN[C@H]1C[C@@H](OCC(C)C)C1(C)C 159185385 NLJLEQOJKXDPOU-DLBZAZTESA-N 283.500 4.776 30 10 CJEE CCCCCCCCN[C@@H](CC#N)c1ccccc1 160917350 PINVYSZHPFOQGQ-KRWDZBQOSA-N 258.409 4.591 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC[C@@H](C)c2ccccc21 163865357 GGWPDRZHFRWTOY-KUHUBIRLSA-N 276.383 4.723 30 10 CJEE Cc1cc(C)cc(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164494050 WYLJSEVJICQMKI-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE CC#CCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 168078953 URMLFVXOINUPAW-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 219525750 PISYZPPNEUVADH-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1C#N 227968722 DOCQEEYWMZEWFJ-PVUWLOKVSA-N 274.383 4.570 30 10 CJEE CCCCCCCCCCNC1=N[C@H](C)C[C@@H](C)S1 228154030 XAUAYDIPPYMRLM-HUUCEWRRSA-N 284.513 4.987 30 10 CJEE N#Cc1c(Cl)cccc1OCc1cccc(Cl)c1F 228233581 ZWFLVWNNCKKWSU-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)[C@@H](C)C1 229578688 YHMDCKLPMRSBLQ-ROUUACIJSA-N 283.500 4.610 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(F)c(F)c(F)c1 233543695 VUOBFFZCHCIOGB-HNNXBMFYSA-N 285.353 4.891 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(F)cccc1OC 233606833 DWRFGDGAYSRFDH-OAHLLOKOSA-N 279.399 4.621 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(F)c(Cl)c2)c1C#N 235251944 ZMSFACNTTOQTTM-LLVKDONJSA-N 288.753 4.832 30 10 CJEE Cc1occc1Sc1ccc(C#N)c(C(F)(F)F)c1 235854435 QROVQLXTAVIKAK-UHFFFAOYSA-N 283.274 4.630 30 10 CJEE COc1ccc(Oc2ccc(C=NO)cc2)c(C(C)(C)C)c1 250594939 PJZCPTLARPSCHP-UHFFFAOYSA-N 299.370 4.593 30 10 CJEE CC(C)c1ccc(Oc2ccccc2CC#N)cc1 260228016 RSNHYEWODKKPIQ-UHFFFAOYSA-N 251.329 4.668 30 10 CJEE N#C[C@@H]1CCc2c(F)cccc2[C@@H]1C1CCCCC1 260658951 QYOLTIXCGFPUDS-SUMWQHHRSA-N 257.352 4.576 30 10 CJEE COc1c(C(C)C)cc(C[C@@H](C)C#N)cc1C(C)C 260704590 VXNIPKIHAPDOET-CYBMUJFWSA-N 259.393 4.644 30 10 CJEE COc1c(C(C)C)ccc(C(C)C)c1C[C@@H](C)C#N 260733563 XVLRILVDIYNDNX-CYBMUJFWSA-N 259.393 4.644 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 304202302 CGOMMOMLBQUWNJ-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)cc1 310469327 HVFMANXWQUZLFQ-LBPRGKRZSA-N 251.801 4.593 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CC[C@@](C)(CC#N)O2)cc1 311462970 WFTBTVUVIIOVPU-RDJZCZTQSA-N 257.377 4.508 30 10 CJEE N#CC[C@@H]1CCC[C@]2(CCCC[C@H]2c2ccccc2)O1 312356840 KQWQLVKCOBDJRC-BZSNNMDCSA-N 269.388 4.566 30 10 CJEE N#CC[C@@H]1CCC[C@]2(CCCC[C@@H]2c2ccccc2)O1 312356841 KQWQLVKCOBDJRC-KSZLIROESA-N 269.388 4.566 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2c(C)cccc2C)C1 316910287 VJNMTVSTYVRKPP-WMZOPIPTSA-N 258.405 4.631 30 10 CJEE C=CCCC1(CNCCC)CCC(CCC)CC1 319169681 JFVGFICQOWPRIL-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=CC[C@H](NCCC)c1cccc(Cl)c1C(F)(F)F 380849974 BNQZWKJTJVXNNZ-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCCC1(F)F)NN 381787397 AQMQTJOTCVKIAQ-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE C=CCCCCN[C@H](C)c1cc2c(s1)CCCC2 386033079 YNMNGZVAIPKPCZ-CYBMUJFWSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H]1[C@@H]2COC[C@@H]21 386040508 YLEMPMILFVKLOA-XDNAFOTISA-N 281.484 4.517 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](C)CCOC 386199696 FMDLVAWSXLMKOD-HZPDHXFCSA-N 258.446 4.551 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)Cc1ccc(Cl)cc1Cl 388919205 OWSUTSLASFKGHU-AWEZNQCLSA-N 298.257 4.564 30 10 CJEE Cc1ccc(N[C@H](C#N)C2CCCCCCC2)cc1 394003160 GVRNUTBAHNDOLA-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE Cc1cc(C)cc(CSC[C@H](C#N)C2CCCC2)c1 397337772 LQPHKDRWGLMPME-KRWDZBQOSA-N 273.445 4.867 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Br)cc1 398099737 HCGOSESJKDGYMB-CHWSQXEVSA-N 296.252 4.845 30 10 CJEE CCCCCCCCCCCC[C@H]1C(=O)CO[C@@H]1C 405749613 BUFPRGAILJZOFR-HZPDHXFCSA-N 268.441 4.901 30 10 CJEE C=CCC[C@H](Nc1cnn(CC(C)C)c1C(F)F)C1CC1 495064832 IVICXBUOUSMNMA-ZDUSSCGKSA-N 297.393 4.633 30 10 CJEE CC(C)(C)N1C[C@H](c2cccc(C#N)c2)Cc2ccccc21 616593194 OOFARJAEYOGKPM-GOSISDBHSA-N 290.410 4.503 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)C2(C(C)C)CCC2)CC1 686138699 MLELLCOAFAAATH-CGZBRXJRSA-N 277.452 4.530 30 10 CJEE C[C@H](Nc1cccc(C2CC2)c1)c1ccc(C#N)cc1 690134449 JKVYDTMEORNCFV-ZDUSSCGKSA-N 262.356 4.609 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCCC12CCCC2 692276423 WICVHFCCWOZPHX-ZACQAIPSSA-N 261.453 4.824 30 10 CJEE C#Cc1cccc(NCc2cc3cscc3s2)c1 693927588 ZTYKHRGNZXIPEL-UHFFFAOYSA-N 269.394 4.556 30 10 CJEE C=CCC[C@H](N)[C@@H](O)CCCCCCCCCCCC 695503512 LCKAPDWADDZDIX-ROUUACIJSA-N 283.500 4.952 30 10 CJEE CC1(C)C[C@@]1(C#N)Cc1cc(Cl)ccc1Br 702200381 NKZGMYGTJVVWGT-CYBMUJFWSA-N 298.611 4.585 30 10 CJEE CCCCCCCCCCC1(N)CCC(OC)CC1 704922635 BNLLOOOUDCEBPP-UHFFFAOYSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@H]1C[C@H]2CC[C@H]1O2 707609414 UZLVYGAJSWMPCL-XMTFNYHQSA-N 281.484 4.802 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)[C@]12CCCC[C@H]1C2 709204086 OHTSYPPAOJQADC-DETPVDSQSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H]1CCCC(C)(C)C1 709604476 JHKNJJPIPNDUHR-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE C=C(Cl)C[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC 710640823 JOFNEEDCYGGJMU-KCXAZCMYSA-N 265.828 4.547 30 10 CJEE C=C(Cl)CC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 710650206 ITQXOYUYVNVXRK-PYCGDYPRSA-N 266.812 4.695 30 10 CJEE C=C(CN[C@@H](C1CCCCC1)C1CC1)c1ccccc1 723995842 RAGRMUOZTXLQTG-IBGZPJMESA-N 269.432 4.648 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccsc2)CC1 724548980 JXSXCOMYKMFQNT-MRXNPFEDSA-N 263.450 4.925 30 10 CJEE C=C1CCC(CC(=O)c2ccc3ncccc3c2)CC1 724589325 DMXUMFNTENKXPF-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE CSCc1ccc([C@@H](C#N)Nc2cccc(C)c2)cc1 724739498 TXNIPGCICWAGRF-QGZVFWFLSA-N 282.412 4.535 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(C(F)F)c1Cl 889939752 NZGVIUNOUHGURM-UHFFFAOYSA-N 287.737 4.818 30 10 CJEE Cc1c(C=Nc2ccccc2S)c2ccccc2n1C 1084057047 HBVFQQKWJKTWLL-UHFFFAOYSA-N 280.396 4.526 30 10 CJEE C=CC1(CC(=O)N[C@H](CCC)CCCC)CCCCC1 1126825644 OAURNVNFERHCND-MRXNPFEDSA-N 279.468 4.988 30 10 CJEE C=CCCC(=O)N(CC(C)C)[C@H](C)c1ccccc1Cl 1128840221 ABEPEVZDJOFSJV-CQSZACIVSA-N 293.838 4.852 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccccc1C1CCC1 1133177847 VYVNZYXHTDORQJ-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE CC(C)N(Cc1ccc(-c2ccccc2C#N)cc1)C(C)C 1168423319 HMLZBDNIARNOSA-UHFFFAOYSA-N 292.426 4.844 30 10 CJEE C=CC[C@H]1N(Cc2ccc(C)c(Cl)n2)CCCC1(C)C 1169844164 LGVOMFXTSAYUTR-OAHLLOKOSA-N 292.854 4.610 30 10 CJEE C=CCC1(NCc2cccc(CC)c2)CCCCC1 1196952976 OMADSHWZVHNZKO-UHFFFAOYSA-N 257.421 4.618 30 10 CJEE C=CCCCCCCCCCN1Cc2ncsc2C1 1207899568 GPVADJSUHUXZQS-UHFFFAOYSA-N 278.465 4.766 30 10 CJEE C=CCCCCCN1CCC(OC2CCC(C)CC2)CC1 1307465079 OWGZKDIVXVUOPG-UHFFFAOYSA-N 293.495 4.793 30 10 CJEE C=CC(C)(C)CNCc1ccc2oc3ccccc3c2c1 1308408346 QJAJFMWBOIVHMV-UHFFFAOYSA-N 279.383 4.888 30 10 CJEE C#C[C@H](C)NC(=O)Nc1cccc([C@@H]2CCCC(C)(C)C2)c1 1311306510 KWJRFBJDPRJGKE-GOEBONIOSA-N 298.430 4.514 30 10 CJEE C=C1CCC(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)CC1 1360209322 PYYAWEACRNRDCU-GPMSIDNRSA-N 297.442 4.526 30 10 CJEE C=CC(C)(C)CCNC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C 1437998876 FKOKNVSDSVEGLP-HXYXDIRBSA-N 291.479 4.724 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc2ccc(C)cc2c1 1439844756 JKEVPPVMHBKRAO-GOSISDBHSA-N 268.356 4.656 30 10 CJEE C=CCC[C@@H](NCc1ccc2cc[nH]c2c1)c1ccccc1 1459851667 OFTQYKRDERHKTI-LJQANCHMSA-N 290.410 4.965 30 10 CJEE C=CCCN(Cc1ccco1)c1ccc(Cl)cc1 1473246740 FNDQSRKRBFMNOT-UHFFFAOYSA-N 261.752 4.516 30 10 CJEE C#Cc1ccc(N[C@@H](CCC)[C@H]2CC2(C)C)c(Cl)c1 1474732099 VSQRXIWWJDCUPX-HIFRSBDPSA-N 275.823 4.948 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1527673003 HFQOZQAICMTGKV-ZDUSSCGKSA-N 299.389 4.758 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)c1ccc(CC)cc1 1533457344 WJKJEQUSIMCOSJ-HNNXBMFYSA-N 273.420 4.594 30 10 CJEE C=C(C)CN[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C 1559681593 LHSZDHQLQUJQCO-CQSZACIVSA-N 271.326 4.568 30 10 CJEE C=CCCCN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1559683145 ZMTUEUXNIYFYEI-IBGZPJMESA-N 271.448 4.892 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCc1ccc2ccccc2c1 1560017433 JOLBFWSIHKAPRJ-BGYRXZFFSA-N 277.411 4.565 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cc(F)cc(OC(F)F)c2)C1 1560978471 PJNHPTVOJNQHKL-CMPLNLGQSA-N 285.309 4.584 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2ccccc2F)CCCC1 1584100860 SHYYAGMDGUNYIJ-ZDUSSCGKSA-N 276.351 4.566 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H](C)c1ccc2ccccc2c1 1586954430 PEBZRLRLJFNSCI-HNNXBMFYSA-N 295.426 4.662 30 10 CJEE C#CC[C@H](NCCC[C@H](C)CCC)c1ccccc1 1616786442 HYGIRFAELHKXIF-AEFFLSMTSA-N 257.421 4.557 30 10 CJEE C=C(C)c1cccc(NCc2ccc3c(c2)CCCO3)c1 1621096974 KMQLTTMGTUPSCO-UHFFFAOYSA-N 279.383 4.657 30 10 CJEE C=C1CCC(CN[C@@H](CCc2ccccc2)C(F)F)CC1 1621517567 HZYHCIWSSGTZAM-KRWDZBQOSA-N 293.401 4.589 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC(CC)(CC)CC1 1633584332 BQOLBMWMGXOXDW-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(CC)CCCCC 1641103796 GNJLXPOMNGSYQD-JZXOWHBKSA-N 277.452 4.693 30 10 CJEE C=CCOc1ccc(CN(CCCCF)C(C)(C)C)cc1 1652857558 NFWVONQSDBLDJP-UHFFFAOYSA-N 293.426 4.602 30 10 CJEE C=CCCC[C@H](NC[Si](C)(C)C)c1ccccc1 1654660723 UOVNGPFIHBZINW-INIZCTEOSA-N 261.485 4.551 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@@H](CC)CC2)cc1 1657349321 LCVQQZXDWKZXEY-AEFFLSMTSA-N 287.447 4.700 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@@H]1c1ccccc1Cl 1658144765 SNMYCWBTKUNLPA-ZBFHGGJFSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)CCCC(C)C 1660014492 JYCSHQRCYHSFDN-MJGOQNOKSA-N 273.464 4.978 30 10 CJEE C=CCC[C@H](CCC)NCc1coc(-c2ccc(C)cc2)n1 1660677692 IDSJUAFXTHLAGU-KRWDZBQOSA-N 298.430 4.875 30 10 CJEE C=CC[C@H](CC)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1664483377 JGNLOWKRVWLZMM-DOMZBBRYSA-N 285.353 4.581 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H](CCCCC)C(C)(C)C 1684428024 UVRQOXURDLVMJN-CVEARBPZSA-N 294.483 4.732 30 10 CJEE C/C(=N\OCc1ccccc1C)c1ccc2c(c1)CCCC2 1857936682 ZKIRLPVOMRNSEJ-LTGZKZEYSA-N 293.410 4.815 30 10 CJEE CC(C)(C)C1(C[C@]2(C=O)CCCC(F)(F)C2)CCC1 1876729932 GBTVUXWCYLGXJK-CQSZACIVSA-N 272.379 4.988 30 10 CJEE C=CC[C@@H]1CCCCN(CC2(C(C)(C)C)CCC2)C1 1876749799 FEUOFRCEXLBPNG-MRXNPFEDSA-N 263.469 4.881 30 10 CJEE C=C1CC(CNC(C)C)(CC2CCC(CC)CC2)C1 1878309763 XGJIUHZHPOGHLS-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(F)cc(Cl)c1 1879643936 KYSMOVPTNKKGBO-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC#CCCC[C@]1(CNC2CC2)CCC[C@H](CC)C1 1879644896 RQFMHFTXSRRWMG-WMZOPIPTSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@H]1CC12CCCCC2 1885238441 WCNVRSMRGMZYKU-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C=CCCN(Cc1ccccc1)c1cccc(Cl)c1C#N 1886642244 LOBSJRHNTMPNJW-UHFFFAOYSA-N 296.801 4.794 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC2(C1)CC2(F)F 1886645045 UXPQTDKAUSCCMX-UHFFFAOYSA-N 291.385 4.500 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)cc1Br 1899326736 FOSLFBUXSNTWCQ-UHFFFAOYSA-N 298.249 4.644 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CC1CCCC1 1917945124 PCVUENJMAWMNIP-QGZVFWFLSA-N 259.459 4.584 30 10 CJEE CCCCCCC[C@](C)(O)c1cccc2cccnc12 1919872636 SDXPHUCUOORLGD-SFHVURJKSA-N 271.404 4.803 30 10 CJEE O=C[C@]1(CC(F)(F)c2ccccc2)CCCC12CCC2 1921620264 OHWYAVHPRCCXGE-MRXNPFEDSA-N 278.342 4.708 30 10 CJEE C=C([C@@H](NCCC)c1ccc(F)cc1C)[Si](C)(C)C 1922980237 WQXIHPIKGURAEM-MRXNPFEDSA-N 279.475 4.608 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H](C)C1CCCCC1 1924086574 NODQHNSHTMHERZ-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCC(CC)CCNc1ccc(C#N)cc1Br 1926139912 VDMJJENBLBLNEP-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C([C@H](O)c1cccc(OCc2ccccc2)c1)C(C)(C)C 1932499121 ONGMZPZFGFTQRT-IBGZPJMESA-N 296.410 4.901 30 10 CJEE CCC[C@](C)(C#N)C[C@@H](C)COCc1ccccc1 1953635044 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C=C(C)CCCC[C@@]1(CNC(C)C)CCC[C@@H](OC)C1 2287383442 FUJCTDXHMHFASF-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)CC(CC)CC 2287389165 AWUCADCXFNNPHK-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(OCC)CCCCC1 2287408991 OYVSFTQAYPRDRK-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2ccccc2n1 2287416189 XZFFWRBXHNUQDQ-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCCCC[C@@H]1C 2292727720 OMSHIFUZZIQFJB-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)c1ccc(CC)s1 2292803856 ZISTYTIFBBQFKV-KRWDZBQOSA-N 295.492 4.638 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C1CC2(CC2)C1 2293357304 PIWSRIKURNORFK-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1CCC 2293467317 TXABLFITBSKYEW-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCC[C@H]1CC 2293878616 JTUFDBNMAVZILC-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C([C@@H](OCCCN)C1CCC(CC)CC1)C(C)(C)C 2294272211 HSYTZYUUYVFWGZ-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE C=CCCCCC1(OCCCN)CCCCCCCC1 2294401979 GBECDJHVWYQFOX-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@H](C)N=c1ccn(C(C)C)[nH]1 2295686595 KSZSTQXCWYFQLN-INIZCTEOSA-N 279.472 4.827 30 10 CJEE CC(=CC(=O)c1ccccc1)Nc1ccc(Cl)cc1 2297351380 RIGYGWYSSSQKKL-UHFFFAOYSA-N 271.747 4.539 30 10 CJEE CCC[C@@H](OC[C@H](CC)CS)c1ccccc1 2302073080 BEZHPFASXQBIBP-DZGCQCFKSA-N 252.423 4.500 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(C)c(Br)cc1C 2304037715 HHBNQLFZMOLZMJ-CQSZACIVSA-N 296.252 4.668 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1F 2309813476 PEDOZPYTMDIGEJ-BZUAXINKSA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@H](C2)C1 2314416775 QLJOGIJPEKBAGW-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE C=C([C@@H](NCCC)[C@](C)(CC)C(F)F)C(C)(C)C 2315004057 RUYIEAOZLVFOHT-DOMZBBRYSA-N 261.400 4.638 30 10 CJEE C=CCC(CC=C)Nc1ccccc1SC(F)F 2316733819 KHJFZHJDMPZVBP-UHFFFAOYSA-N 269.360 4.934 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cc(C)cs1 2316742433 USNAFIMYNDWMDT-INIZCTEOSA-N 263.450 4.866 30 10 CJEE C=CCN(Cc1ccc(F)c(C)c1Cl)C(C)(C)C 2317043195 UMMSKBHSHSAWLS-UHFFFAOYSA-N 269.791 4.574 30 10 CJEE CCCCCCCNCC1[C@@H]2CCCCCC[C@@H]12 2318451457 IWKVBYSVMFNDJS-HZPDHXFCSA-N 251.458 4.763 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CCC[C@H](CC)C1 2321099260 QEGJONANOQVDPN-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@]1(C)CCCCC1(F)F 2321131304 QAVTUKDUVNXITB-CQSZACIVSA-N 258.352 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCC[C@H]1C 2321132171 XBHSWNHMVMUTPA-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE Cc1ccc(NN=Cc2cn(C)c3ccccc23)cc1Cl 2322974646 GMMHWIMDMVFVBJ-UHFFFAOYSA-N 297.789 4.586 30 10 CJEE CC1(C)CCC(OC[C@@](C)(CS)C(C)(C)C)CC1 2327166341 RRUUYWYTDBSLHL-INIZCTEOSA-N 272.498 4.954 30 10 CJEE OCCCCCCCC#Cc1cccc(Cl)c1Cl 2327867740 WOWYMMRBEAIQGN-UHFFFAOYSA-N 285.214 4.678 30 10 CJEE C#CC[C@H](C)C[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2327988579 SCEGHFSSDKGGRD-BONVTDFDSA-N 285.214 4.559 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2330292133 RVXUENVPULNFSB-JCECYMMASA-N 264.453 4.924 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(C)C 2332714518 NJCLFCJZCZFZFA-GVDBMIGSSA-N 268.489 4.641 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](CC)NCCC)cn1 2335244239 FDAODEHOUUIBHP-UKRRQHHQSA-N 278.465 4.589 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CCC(CC)CC1 2338742373 VSCYDLHXUWUPIP-VJFUWPCTSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(OC)s1 2338747887 USPUOTIBIMFDPO-MRXNPFEDSA-N 279.449 4.566 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC12CCCCC2)NC 2344341515 CEHCVEIIJMYRJK-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCC 2344347034 YGKUGKZOTWVKNI-YNEHKIRRSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cnc(C(C)(F)F)s1 2344356609 NBTPQZWTSJFPOP-LLVKDONJSA-N 288.407 4.508 30 10 CJEE C=CCC(C)(C)C(=O)Cc1ccc(C2CCC2)cc1 2344384119 KOBXTOCHPVJIQF-UHFFFAOYSA-N 256.389 4.668 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344460005 NHBQNMMSPRIJPF-OBVSXPTNSA-N 264.453 4.946 30 10 CJEE CSc1cc(Sc2ccc(F)cc2F)ccc1C#N 2353842636 HAZPGZFUZVSRHC-UHFFFAOYSA-N 293.363 4.710 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC2(CC2)[C@@H]1NCCC 2360322775 GHXBQCLJAVWEDZ-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCSc2ccccc21 37089210 JTXYUGPBGQGWTJ-OAHLLOKOSA-N 298.386 4.655 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccccc2)cc1 37935265 LXLPGARQPKDFFT-QGZVFWFLSA-N 264.372 4.661 30 10 CJEE N#C[C@H]1CCC[C@@H]1Nc1c(Cl)cc(Cl)cc1Cl 54824730 LHTCMINDADXYBE-HQJQHLMTSA-N 289.593 4.751 30 10 CJEE CCCc1ccc(N[C@@H](CC#N)c2ccccc2)cc1 55016458 WWRUHXAFVBLMHG-SFHVURJKSA-N 264.372 4.706 30 10 CJEE CCCCCCCOc1c(Cl)cc(C=O)cc1OC 59055115 KXEZUXIXHBQTKE-UHFFFAOYSA-N 284.783 4.510 30 10 CJEE Cc1ccc(O)c(/N=C/c2ccc3ccccc3c2)c1 59508413 ZSVGLVQFMBHSBW-XDHOZWIPSA-N 261.324 4.604 30 10 CJEE N#Cc1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1 64438639 MEUFVCGMWZEYJM-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 71132236 MCKYFKNPGMFPAX-DGCLKSJQSA-N 263.768 4.559 30 10 CJEE C=CCN(CC=C)c1ccc([C@@H](C)NCCC)c(Cl)c1 78901459 NRZABOWOWXIDPP-CQSZACIVSA-N 292.854 4.579 30 10 CJEE CC(C)c1csc([C@@H](C#N)C(=O)CCCC(C)(C)C)n1 80453175 FOYSUDZHEUYPOA-LBPRGKRZSA-N 292.448 4.659 30 10 CJEE CCN[C@H](C)c1cccc(SCc2ccc(C#N)cc2)c1 84125037 QSSCCWFNALMKEN-CQSZACIVSA-N 296.439 4.521 30 10 CJEE CC[C@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 86097225 ZVCIBKCIARTHPL-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86942474 MLKSSNTTXPUGJM-DLBZAZTESA-N 270.420 4.769 30 10 CJEE CCCN(CC(F)(F)F)CC(CS)(CCC)CCC 94580075 PNRJOCURVKUSLR-UHFFFAOYSA-N 299.446 4.777 30 10 CJEE CCC(CC)(CS)CN1C(=O)c2cccc3cccc1c23 94586837 LGXKWQAWARCRRH-UHFFFAOYSA-N 299.439 4.536 30 10 CJEE Cc1ccc(C#N)c(N(CCC(C)C)C2CCCC2)c1 94848321 VQACVWATQWONCS-UHFFFAOYSA-N 270.420 4.662 30 10 CJEE CN(CCCCCCCCCS)CCC(F)(F)F 97799475 RMCDETCGOINBKF-UHFFFAOYSA-N 285.419 4.531 30 10 CJEE CCCCCCCCCCN[C@H](C)c1ccncc1 103466144 RMPVPNORXVSSKZ-MRXNPFEDSA-N 262.441 4.873 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](C)c1ccc(Cl)c(Cl)c1 107563231 COUCJKKTZYINDY-JCOFBHIZSA-N 259.176 4.664 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC)c1cccc(C)c1 110017021 NPMWLUXJIRJFBG-LJQANCHMSA-N 290.495 4.899 30 10 CJEE CCCCCCCCCC[C@@]1(CNC2CC2)CCOC1 110213437 BFFMAKQQLTTXOF-SFHVURJKSA-N 281.484 4.676 30 10 CJEE CC1(C)Cc2cccc(Oc3ccc(C#N)cc3Cl)c2O1 110260662 HLIDLJMEWIUDTI-UHFFFAOYSA-N 299.757 4.717 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@@H]1CC(C)C 115243513 JGZLXWWPMWGYJP-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C)c1ccccn1 117693453 RHQWRPRAQWWVGI-NVXWUHKLSA-N 263.425 4.687 30 10 CJEE CCCCCCCCC1(c2ccccc2Cl)CNC1 118886075 HJXABAJDGRVGFW-UHFFFAOYSA-N 279.855 4.932 30 10 CJEE CCCCCCCCCCC(=O)C(C)(C)OCC 121992620 QWEHEDOIRDMRKN-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE CCCCCCCCCCNc1ccc(N)c(C(=O)O)c1 123858266 FBSXUIURJYQFJC-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE C#CCCC[C@@H](NCCC)c1cccc(C(F)(F)F)c1 133968031 WIDNXJRKAATIQW-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)C 156071080 FRXFTFVDTIYFTD-BBWFWOEESA-N 251.458 4.783 30 10 CJEE N#CC1([C@H](O)c2cccc(Cl)c2)CCCCCCC1 158974318 ZKIVKQQMWXLDGX-OAHLLOKOSA-N 277.795 4.628 30 10 CJEE CCCCCCC[C@@H](NCC)[C@](C)(CC)OCC 163987365 KATWWKMEMPWQKI-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@]1(CO)CCO[C@H]1C1CC1 166556616 WUJVWJQPGRBPIR-ZWKOTPCHSA-N 282.468 4.695 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 189903679 MEXSXILSZKCVDY-QILLFSRXSA-N 295.426 4.689 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccccc1SC(F)F 203444075 DISIOBRWUVZILL-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cnn(C)c1C 221850667 NAIRNGUFDYOFHT-HNNXBMFYSA-N 279.472 4.520 30 10 CJEE CCCCCCCCCC(=O)CC[C@@H](CC)CCN 226450889 SOTQMYJWTVHPDV-MRXNPFEDSA-N 269.473 4.851 30 10 CJEE CN(C1CCCCC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 227046892 YJKYNWVMICCZRM-INMHGKMJSA-N 276.468 4.605 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 228817973 UXZCWFSKQGCNHW-GFCCVEGCSA-N 272.417 4.885 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1cccc(Cl)c1Cl 228914572 IDJIKAKAXFMQIF-OAHLLOKOSA-N 286.246 4.728 30 10 CJEE CCCCCCCC(=O)c1ccc2cccnc2c1 229327290 MEPYHHSAZCNSID-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE Cc1ccc(C(=O)/C=C\c2csc(-c3ccccc3)n2)o1 230047354 FTGLNHKPYKHIDG-HJWRWDBZSA-N 295.363 4.608 30 10 CJEE O=C(C1=CCCCCC1)c1csc(Br)c1 232487320 VDMHPLNMGBHLAT-UHFFFAOYSA-N 285.206 4.584 30 10 CJEE CCCCCCCCCCCC[C@H]1COCC[C@H]1N 232917590 YWEONYHISNQHML-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](N)c1cnc(C(F)(F)F)s1 232923906 XSGWCFQTCGXJKI-VIFPVBQESA-N 280.359 4.522 30 10 CJEE CCCCCCCCCCNCc1ccc([N+](=O)[O-])s1 232950798 LYROOOKHCMTRMR-UHFFFAOYSA-N 298.452 4.887 30 10 CJEE N#C[C@H](CSCc1ccccc1Cl)c1ccccc1 236040789 UEICFHJYVDLFEW-OAHLLOKOSA-N 287.815 4.881 30 10 CJEE N#Cc1ccc(Nc2ccccc2F)c2ccccc12 236146929 PHEFREYPGNGWAG-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCn1c([C@@H](C)CC#N)cc2c(C(F)(F)F)cccc21 259951687 GTWASKBZAUAXGF-JTQLQIEISA-N 280.293 4.697 30 10 CJEE CC(C)(C)CCC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 305918753 GQESWPNGBIXUMO-LLVKDONJSA-N 298.213 4.996 30 10 CJEE N#CC1([C@@]2(O)CCCCC23CCCC3)CCCCCC1 312297559 AJYHWKHOSZRMOJ-GOSISDBHSA-N 275.436 4.716 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1CCO 312399372 PUXXCCQZIQPMRW-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnc(C)n1C 312399436 OTVXNLBCIPYPIH-INIZCTEOSA-N 279.472 4.520 30 10 CJEE N#CC1(c2cccc(C(F)(F)F)n2)CCCCCCC1 312588751 LNRROAGWTUKMFP-UHFFFAOYSA-N 282.309 4.606 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)[C@@H](C)C2CCCCC2)C1 313176855 JZOKGLGITUSOFP-IDCNUPLLSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@@]1(CNCCC)C[C@H]2CC[C@H]1C2 317682909 DMUTXEBSAVTWHG-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE C[C@H](CC1CCCCC1)/N=C(/O)C[C@H]1CCCCC(O)=N1 328786300 KTDUJHSGQDIBAT-UKRRQHHQSA-N 294.439 4.591 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)cc2c1OCC2 384986740 KDOSTDBVNQLSFT-PXAZEXFGSA-N 289.806 4.537 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)[C@@H]2CCCC[C@@H]2C)CC1 394857140 OJKFFPNCCGOVKS-DROMLMRLSA-N 277.452 4.530 30 10 CJEE CCCCCCCOCCC(CC)(CC)CNCC 395802289 GQMWXLDCNFFCHI-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCC/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccccc1 396659962 OGOBMTVDPWCDJC-SQFISAMPSA-N 272.197 4.502 30 10 CJEE N#C[C@@H](CNc1cccc(Cl)c1F)C1CCCCC1 397139337 JXSVRJXCHGRZOD-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE CC(C)[C@H](C#N)CNc1ccc(Cl)c(C(F)(F)F)c1 397522925 WKCLBVVWIUYPFM-SECBINFHSA-N 290.716 4.566 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1c(F)cccc1Cl 398149952 DCGCKPNGAHIEPF-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE SCCCCCCCCCn1cc(C2CCC2)cn1 402142094 WMLQNKBLPRRXPV-UHFFFAOYSA-N 280.481 4.811 30 10 CJEE CC[C@H](OC[C@@H](CS)c1ccccc1)c1ccccc1 403304102 HVTWDWAPJARLRB-ROUUACIJSA-N 286.440 4.868 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1=C(C)CCC1 476088023 DSNQZJNFGOXVAK-UHFFFAOYSA-N 283.415 4.977 30 10 CJEE C=C(C)CCN(Cc1cccc(-c2cccnc2)c1)C1CC1 509024207 UQRFBXXMRSCXJM-UHFFFAOYSA-N 292.426 4.679 30 10 CJEE N#Cc1ccc(F)cc1-c1cc(Cl)ccc1Cl 514261132 XQVYARCRWLVQHI-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CCCC1([C@H](O)C2(C#N)CCC(C(C)C)CC2)CCC1 686137558 PYJJCTSNBAOJGA-PQUAAJSLSA-N 277.452 4.674 30 10 CJEE C#CCCCCCC1(CNCCC)CCCCCC1 686699033 AJMIHCAQFZPLOJ-UHFFFAOYSA-N 263.469 4.910 30 10 CJEE CCC1CCC(C=O)(Cc2ccsc2Cl)CC1 688036863 OOAIOZVLQRWHTO-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE CCCCCCCC[C@H](NN)c1csc(C(C)C)n1 695352045 YRWHRYKYNXIXOB-ZDUSSCGKSA-N 283.485 4.522 30 10 CJEE CCCCCCCCC[C@@H](CC(C)(C)CC)NN 696193702 OFWTXSTZCSCCDO-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 702172620 MXUYLBUHOFUWGL-IAQYHMDHSA-N 296.197 4.606 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2cnccc2c1 702764062 DBLJLGNSKXOJOO-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCNCc1ccc(CSC(F)F)o1 703707463 BPBJPTMKHVBZFB-UHFFFAOYSA-N 291.407 4.795 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1COC[C@@H]1C 705165034 HTAGGNAOQRDPDH-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE C[C@H](CC1CCCCC1)Nc1ccc(Cl)c(C#N)c1 709758274 ILANKOTYEOSDBN-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)cc(Cl)c1 715705176 LYZJTENILSBGKL-IUODEOHRSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@H](N)c1ccc(Cl)cc1C(F)(F)F 715724934 WUEIQJDDFJEHFT-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cc(C)c(C)cc21 717654369 AWFUGZAUZIMJKE-UHFFFAOYSA-N 274.433 4.643 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)[C@H]1CCCO1 720237558 DIBQLCUWJDCISM-GOEBONIOSA-N 254.414 4.511 30 10 CJEE N#CC1(C[C@H]2CC[C@@H](C(F)(F)F)O2)CCCCCCC1 721395433 FBZQZAKUGIOJIA-OLZOCXBDSA-N 289.341 4.741 30 10 CJEE C=C1CCC(CC(=O)CCc2cccc(C)c2)CC1 724582265 HWXCJHVKBWQJHH-UHFFFAOYSA-N 256.389 4.633 30 10 CJEE Fc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)cc1 725441297 SVDPYYGYJRLPFZ-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2cc(F)ccc2C)CCCC1 1127735456 CHTHQSBALUEAEH-AWEZNQCLSA-N 290.378 4.875 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 1129624252 NPGJQXUKHQEFPE-MOPGFXCFSA-N 297.442 4.528 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 1129624254 NPGJQXUKHQEFPE-RBUKOAKNSA-N 297.442 4.528 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1cccc(C2CCCC2)c1 1130487579 VGYZRTZVTPPPGN-CQSZACIVSA-N 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WPIBJCDAASHADH-RWMBFGLXSA-N 296.241 4.754 30 10 CJEE C=CCC(CC=C)SCCC[C@@](C#N)(CC)NCCC 2360334027 PPOYYYGKQLDLFN-QGZVFWFLSA-N 294.508 4.693 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048386 SPSUUTHTHKGEHA-BFHYXJOUSA-N 285.416 4.503 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccccc1SC(F)F 54823373 JLTOQEXQGHTKRP-VXGBXAGGSA-N 296.386 4.886 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2cccc(F)c2)cc1C 57688542 QAQARANNCBJOSQ-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE Cc1cccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)c1 58929202 HZOAUWIEZPRBID-AOIWGVFYSA-N 286.378 4.693 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(OCC)cc1 59100136 VIFVYVBJAKSGIP-QGZVFWFLSA-N 287.403 4.622 30 10 CJEE CCCCOc1ccc(/N=C/c2ccc(OC)cc2)cc1 59301029 ZYUOGTGULQBYNT-XMHGGMMESA-N 283.371 4.625 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)cc1C(=O)OC 59469276 ZOCKVBOZNIAWSL-ZDUSSCGKSA-N 295.398 4.773 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1ccc(CC)cc1 59526199 PTKNUNSBWUNZEQ-HNNXBMFYSA-N 276.420 4.807 30 10 CJEE C=C(C)COc1cccc(CN[C@@H](CC)c2ccccc2)c1 66117009 IEKIWYARJNHBHT-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C[C@@H]1CCC[C@H](CCNc2ccc(C#N)c(Cl)c2)C1 70539717 IFCKFFRJXKHMTQ-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE CCOc1c(C)cc(C)cc1C(=O)/C=C/c1cccs1 83193827 XJAUXNCWFRLQJS-BQYQJAHWSA-N 286.396 4.660 30 10 CJEE C/C(CCc1ccc(OC2C[C@@H](C)C[C@@H](C)C2)cc1)=N\O 84949384 RTGIWGGSSYEONK-HBTIVTHBSA-N 289.419 4.673 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CC(=O)O)C1 91450608 GEUGKQBFNDFSDF-QGZVFWFLSA-N 297.483 4.704 30 10 CJEE CCCC1CCC(O)([C@@]2(C#N)CCC[C@@H](CC)C2)CC1 91875829 DSMADANJJQWMET-ZLZJIPBDSA-N 277.452 4.818 30 10 CJEE CCC[C@](O)(c1ccccc1)C1(C#N)CCCCCC1 91878251 FXBDRIDEJZWFNZ-SFHVURJKSA-N 271.404 4.538 30 10 CJEE CC[C@H]1CCC[C@](O)(C2(C#N)CCC(C(C)C)CC2)C1 91885955 XGJTUNGZQPWJJX-FCCDEINASA-N 277.452 4.674 30 10 CJEE Cc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1 96336802 FIBHVVXOARTKSF-UHFFFAOYSA-N 291.741 4.540 30 10 CJEE CCCCCCCCCCN1CCC(CC)(C(=O)O)CC1 109036041 FYIWWDLBKHZTHL-UHFFFAOYSA-N 297.483 4.704 30 10 CJEE CCCCCCCCCOc1ccccc1C[C@H](C)N 109763363 FKXJJCYONPFICC-INIZCTEOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCCCN(C)Cc1ccc(CN)cc1 110106256 AJQACMCALWNIKG-UHFFFAOYSA-N 290.495 4.718 30 10 CJEE N#Cc1ccc(Sc2cc(F)ccc2F)c(Cl)c1 110354235 SWHMTFCPBZLOIW-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCCCCOC(=O)c1cc2ccccc2cc1N 110388135 YYQSYHJRVQYZBP-UHFFFAOYSA-N 285.387 4.549 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1cccc(Cl)c1C#N 111610362 BEWDFXJATYTYPY-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCN(CCC)[C@H]1CCCNC1 113282956 CXGOMEJGKGPTJN-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1CCc2ccccc2C1 115843231 YFUSNSYNHIIVMI-ZWKOTPCHSA-N 260.421 4.513 30 10 CJEE CCCCCCCCC[C@@H](O)c1cncn1C(C)C 116817842 ULHBKKHWQYSXCC-MRXNPFEDSA-N 266.429 4.638 30 10 CJEE COc1ccc(C#N)c(Oc2cccc(C(C)(C)C)c2)c1 130509796 KDNJTODNMIJFAZ-UHFFFAOYSA-N 281.355 4.657 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(C)nnc1C 135557434 XUHNLJHOSJFYFB-KRWDZBQOSA-N 278.440 4.658 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N 136669101 PIMLSHWAUAQRMM-YRGRVCCFSA-N 274.433 4.517 30 10 CJEE CCCCCCCCn1c(C(C)C)cnc1S 147268330 JLTRAEMIDJZVOQ-UHFFFAOYSA-N 254.443 4.656 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)c(F)c1 160505943 PSTGEOMAHOSQRN-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCC[C@H](C)NCc1ccc(C#N)cc1Cl 162656491 BSOFWOVQRKMZEY-ZDUSSCGKSA-N 278.827 4.660 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)CC1 168254779 MZTLJFVZJGLIAX-GJZGRUSLSA-N 274.383 4.714 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(C#N)Nc1cccc(Cl)c1 214749415 ACCYMPVFMZZRLB-HOTGVXAUSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(CCN)cc1 226445656 OSFWIXDPDOKIFF-UHFFFAOYSA-N 289.463 4.901 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(C)[C@@H](C)C1 226875523 UBRAFPDDMZZQAZ-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC(=O)C1(OC)CCCC1 228191562 VACSUBVJMFHKGR-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(Cl)c1F 232515323 DMPHLQLRHDFINP-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE C=C(CC)CC(=O)c1cc(Cl)cc(Br)c1 232817872 JHDMIKPJSNRTHU-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H](OC)C1(C)C 232917354 IMPUOKMVIQDCPR-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](C)N(CCCC)C[C@@H]1CCCN1 232944015 AINNEDCHNSVDLD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC1CC1)C(C)C 232963919 DHMOXBOBUSCBMS-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCC[C@H](NCCCCC(C)(C)C#N)c1cccs1 233358581 RJXGYFSDHWPNEJ-AWEZNQCLSA-N 278.465 4.899 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccccc2C)cc1C 235786656 VSAQDECHZFUBDZ-GOSISDBHSA-N 264.372 4.597 30 10 CJEE Cc1cccc(NC2CCC3(CCCC3)CC2)c1C#N 236004900 ACBWXUNOPFYFRV-UHFFFAOYSA-N 268.404 4.782 30 10 CJEE C=CCCCCC[C@@H](O)Cc1ccc2ccccc2c1 236548463 YYFNXQCDJKNRBC-LJQANCHMSA-N 268.400 4.880 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCCC[C@H]1CN 250811482 HRDVIYANCDRRKR-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H](c1ccccc1)[C@H](C)CC 253042242 MASOTVMHZFPKHR-YZGWKJHDSA-N 285.475 4.988 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 253049992 TWYKCWUPFSTIDC-ADHGMGHFSA-N 283.500 4.904 30 10 CJEE Cc1cc(CCC#N)cc(Cl)c1OCc1ccccc1 260173681 GGJXXROPUVPIPO-UHFFFAOYSA-N 285.774 4.684 30 10 CJEE CC(C)(F)c1cc(F)c(F)c(C2(C#N)CCCCC2)c1 260424417 SWKMWSICVZZMRO-UHFFFAOYSA-N 281.321 4.895 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1sccc1Cl 305895833 HSWDPEXRTDAHKZ-CYBMUJFWSA-N 283.868 4.882 30 10 CJEE CC[C@@H](C#N)c1ccc(OCc2ccccc2)cc1C 309819409 ZBGZZMIXIILIGP-INIZCTEOSA-N 265.356 4.591 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)c(F)c1 310957389 SQBURPFRQABAII-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@H]2C[C@@H]2c2ccccc2)C1 316793478 HYYGCEDGBCQKHL-BGTYHANMSA-N 256.389 4.576 30 10 CJEE O=CC1(CCSc2ccccc2)CCCCCC1 317148213 CBWBOZIPTNHVRJ-UHFFFAOYSA-N 262.418 4.708 30 10 CJEE C=C[C@](C)(CNCCC)C[C@H](C)C1CCCCC1 380902134 OHWAKMOMQJPPPU-RDJZCZTQSA-N 251.458 4.785 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2nc3ccccc3s2)C1 382141644 CUQFPJOOJKOYSZ-BLLLJJGKSA-N 270.401 4.658 30 10 CJEE Clc1cccc(C#Cc2cc(Br)cs2)c1 383565722 VDMSLIJSCABKGB-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@H](CC(C)(C)C)CS1 393526694 SSCVJWQVBLIROU-CYBMUJFWSA-N 284.513 4.700 30 10 CJEE CCCCCCCCCC[C@H](O)c1c(Cl)cnn1C 394628935 YBLVLSAUNHLMHC-AWEZNQCLSA-N 286.847 4.638 30 10 CJEE Cc1cc(Cl)cc([C@@H](C#N)Nc2ccccc2Cl)c1 395210968 KGWXZSAUOJHOEX-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C/C(=C\B1OC(C)(C)C(C)(C)O1)c1cccc2ccccc12 396773035 UYWGPSKYCUTUDE-BUHFOSPRSA-N 294.203 4.875 30 10 CJEE C=C(CC)C[C@H](NCC)c1csc2c1CCCC2 399818015 RXVUELJPMQBSEC-HNNXBMFYSA-N 263.450 4.634 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1CC 451328425 IIAOBYFBEOOOGJ-CZUORRHYSA-N 271.404 4.523 30 10 CJEE CC(C)c1cccc(CN[C@@H](C)c2ccc(C#N)cc2F)c1 480685595 XMBUHIPHGOBRGK-AWEZNQCLSA-N 296.389 4.672 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1cc(Cl)ccc1C 507858943 GSTRJFAZSPXZNH-GFCCVEGCSA-N 297.851 4.675 30 10 CJEE C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1C(C)C 529250588 LRJADIUSIIZRHR-UHFFFAOYSA-N 292.810 4.669 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(Cl)cc1Cl 686689675 POHLLYGSIQTZOO-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2cccs2)C1 687963035 GTIWBPSOXZJFHB-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE C=C(C)CC1(CNC2CC2)CC(C)(C)CC(C)(C)C1 687990672 NIGKCPIPZIPOHX-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CCC[C@](O)(CC)C1(C#N)CC(C)(C)CC(C)(C)C1 688314184 BKVLVGSMCAQLHV-QGZVFWFLSA-N 265.441 4.674 30 10 CJEE CN[C@H](CC#CC(C)(C)C)C1CC(C)(C)CC(C)(C)C1 688344492 FLYQLYDPVSOSNT-MRXNPFEDSA-N 277.496 4.867 30 10 CJEE SCCCCCCCCCN1CCC[C@@H]1C1CCC1 688945873 BEZTVPNQHNQTQD-QGZVFWFLSA-N 283.525 4.911 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 691038533 NXPSPSRYERFDJK-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE C=CCC(C)(C)CNCc1cc2cscc2s1 693954169 WFNSCQWHAYUBBO-UHFFFAOYSA-N 265.447 4.655 30 10 CJEE Cc1ccsc1[C@@H](C)Nc1ccc(Cl)cc1C#N 695665627 FLUAXTNRIPHNCD-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCNc1c([N+](=O)[O-])ccc(Cl)c1C 703717408 LLRBEHRXMZDDRV-UHFFFAOYSA-N 284.787 4.939 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2C3CCCC2CCC3)C1 707113718 MRZMRBGYTFUUCI-YFVGIKETSA-N 274.452 4.502 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2ccc(Cl)cc21 717654975 LIOZMAWJBKORFZ-UHFFFAOYSA-N 280.824 4.680 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC(C)(C)[C@H]1N 719301260 QHSONWUBBXOGEB-CVEARBPZSA-N 269.473 4.660 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C2CCCCC2)C2CC2)c1 723881422 NCPHGIRQVFQSIG-GOSISDBHSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(C)ccc2C)CC1 724443140 LGXRSRWVYIMYEA-MRXNPFEDSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CCCC3(CC3)C2)CC1 724559434 MFBZWPIAERFTRW-SJORKVTESA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](CCCCCCCC)NN)CC1 724579105 JWGTVMFQAGIEMK-KRWDZBQOSA-N 266.473 4.705 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(C)s1 1126957926 YCSNEYYPNJSJDT-UHFFFAOYSA-N 281.465 4.927 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccccc1 1130934472 NOFWIJHMSRUQMA-IPMKNSEASA-N 292.378 4.569 30 10 CJEE C#C[C@@H]1CCCN(C(=O)/C=C/CCCCCCCCC)C1 1163597974 HTKKERMETUFBOJ-NKAIQICCSA-N 289.463 4.555 30 10 CJEE C=CCCCNc1nc(Cl)c(C(F)(F)F)cc1Cl 1186350293 DCVLKRFRSGSDLS-UHFFFAOYSA-N 299.123 4.785 30 10 CJEE C=C(C)CCOc1cc(Cl)c(Cl)cc1Cl 1188163469 WZGLSGRDXAIMHC-UHFFFAOYSA-N 265.567 4.992 30 10 CJEE C=CCCCCCN[C@H](Cc1ccc(F)cc1)C(C)C 1307638332 ZIZMHKWEAVIIQC-GOSISDBHSA-N 277.427 4.729 30 10 CJEE C=C(C)[C@H](NCC1CC2(CCC2)C1)c1ccc(F)c(F)c1 1307696951 DDNKIKDXLONEIO-KRWDZBQOSA-N 291.385 4.752 30 10 CJEE C#CC[C@H]1CCN(Cc2ccc(C(C)C)cc2C(C)C)C1 1308069634 VSCSQQQBFJKYFK-KRWDZBQOSA-N 283.459 4.779 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H](CC)c1ccccc1 1308633385 ZXTHCLZBOYQLJX-HXUWFJFHSA-N 293.454 4.911 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1 1352828577 IRGBCRUFMZGTKO-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H](CCC)CCc1ccccc1 1354231924 VOJNCDLKYKRQSF-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C#Cc1cccc(NC(=O)[C@@H](CC)CCCCCC)c1 1357412378 JRBBDYRGYFURPG-INIZCTEOSA-N 271.404 4.603 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 1435370150 BYSSEZGUUUXHNW-SFHVURJKSA-N 299.458 4.950 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)nc1Cl 1460412917 SRCHHACXIFHVNR-WCQYABFASA-N 299.245 4.613 30 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AVAFMKJEOQJVBE-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE Cc1ccc(C#Cc2ccc(Cl)cc2Cl)c(F)c1 1614826972 WUNNQCOZJNDOLR-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE CCCNc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1615217300 YZDNPSPUZXZMKP-MRXNPFEDSA-N 284.790 4.817 30 10 CJEE C=CC1(CC(=O)NCC[C@H]2CCCC2(C)C)CCCCC1 1618462477 ADJNEVBPGGSNIM-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C=CCCCN(CC)Cc1cccc2ccccc12 1620646932 XCTOFFNHROLDDE-UHFFFAOYSA-N 253.389 4.628 30 10 CJEE C#Cc1ccc(NC[C@@H]2C(C)=CCC[C@H]2C)c(Cl)c1 1621089487 JRKYMMSTUQWQBR-UKRRQHHQSA-N 273.807 4.726 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc2sccc2c1)c1ccccc1 1623637554 CEDIIHMFLCFJOP-MRXNPFEDSA-N 293.391 4.810 30 10 CJEE C=C(C)CCN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 1642047042 BLBLXISDAXZXPT-ZDUSSCGKSA-N 263.812 4.832 30 10 CJEE C=CCC[C@H](NCc1ccc(F)c(OC)c1)c1ccccc1 1650807531 LOYZVPGDMZMHEX-SFHVURJKSA-N 299.389 4.631 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCC[C@H]1C 1652322204 OTQBWIJWIQVEAP-AEFFLSMTSA-N 287.447 4.510 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCCc2ccc(F)cc21 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MFGRABGSLNRWQM-NVXWUHKLSA-N 291.460 4.817 30 10 CJEE CC1(C)CCC[C@H]([C@@](C)(O)C#Cc2ccc(Cl)cc2)C1 2239458538 LYVKCXOFEYNMSY-YJBOKZPZSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCO[C@H]1CCC(C)(C)[C@H]1NC 2239491674 CRIJVXQVTYFQID-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C[C@@H](CCCCC)Oc1cccc(OC(C)C)c1N 2239494823 IRYBRLUHJJTFPG-AWEZNQCLSA-N 277.408 4.570 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CC)(CCC(C)C)C(=O)O 2239502374 SCSTYIUMKMQNBL-WBVHZDCISA-N 284.440 4.808 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC2(CCCC2)CC[C@H]1O 2239559413 QGJGIYRJBJTLKI-BRWVUGGUSA-N 280.452 4.612 30 10 CJEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)CC(CC)CC 2239563542 RSAQISLBEODNCZ-SFHVURJKSA-N 291.866 4.886 30 10 CJEE C=CCCCC[C@@H](Cc1ccc(C(C)(C)C)cc1)NC 2240130870 KRIRGOPLQKRBMG-SFHVURJKSA-N 273.464 4.861 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cnc(C(C)(C)C)s1 2240166931 HPTLWIPTFLGXGP-CXAGYDPISA-N 294.508 4.564 30 10 CJEE C=C1CC(COc2ccc(CN[C@@H](C)CC)cc2Cl)C1 2240239933 WJPABASWPQOACO-ZDUSSCGKSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1CC12CCOCC2 2240622770 XUWFKBVBEALZJT-IRXDYDNUSA-N 282.468 4.695 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CCC(C)(C)C)NC 2240642481 NCRQZUXIOBRENS-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE C=C(C)CCCCN[C@@H](C)c1cc(C)sc1C 2250161732 QCXYRVRFJNVHHL-ZDUSSCGKSA-N 251.439 4.762 30 10 CJEE CC(C)(C)[C@H](C#N)CSC[C@H]1CCCCC1(F)F 2256100565 YZOOEYQWXNSKOK-VXGBXAGGSA-N 275.408 4.731 30 10 CJEE CC1(C)CC(CSc2cc(Cl)c(F)cc2C#N)C1 2256472310 IQBLQATVEGGMID-UHFFFAOYSA-N 283.799 4.879 30 10 CJEE C[C@H]1C[C@@H]1CCCCOCC1(CS)CCCCC1 2256768500 PPLHASVGNQPVTR-GJZGRUSLSA-N 270.482 4.710 30 10 CJEE C=CCCCCCCCS[C@H]1CCC[C@@H]1NCC 2259062911 XANXZJLIJUBQPT-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCCN(C)Cc1cc(C(F)F)cs1 2259167021 CMYDUGGMCZFFQI-UHFFFAOYSA-N 273.392 4.864 30 10 CJEE N#Cc1sccc1CSC[C@H]1CCCCC1(F)F 2263178957 ZJGFFRQIRYXGQV-LLVKDONJSA-N 287.400 4.678 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC12CC2 2263712070 MYLGMUWWRFGYNG-CVEARBPZSA-N 251.458 4.905 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H]1CC(F)(F)C12CCC2 2266292131 VTLSNOZWXYVAPD-UONOGXRCSA-N 272.379 4.988 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cc2sccc2s1 2268753886 CFBHGQVDRPRNII-GFCCVEGCSA-N 289.469 4.958 30 10 CJEE Cc1cc(NCC=CC#CC(C)(C)C)c(C)cc1Cl 2268835216 QVEAMBKZCVVDKJ-UHFFFAOYSA-N 275.823 4.974 30 10 CJEE CO[C@H](CSc1ccc(C#N)c(Cl)c1)CC(C)(C)C 2271713021 WUYGOKCDCAOGHB-LBPRGKRZSA-N 297.851 4.755 30 10 CJEE O[C@H](C#CC1CCCC1)c1ccc(-c2cccs2)s1 2274051334 ROEQAZAVUXAHHI-CYBMUJFWSA-N 288.437 4.704 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C[C@@H](C)C(C)(C)C 2274119285 BVEAQPGQCOCGOC-WBVHZDCISA-N 263.469 4.621 30 10 CJEE CCCCCC#CC[C@@H](N)C1CC(CC(C)(C)C)C1 2274231952 KDVOHLKFHWSMRS-OFLPRAFFSA-N 263.469 4.750 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)C(C)C)OCCN 2276751168 WQRUXJPMLUOKNR-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1CCO[C@H]1C 2278167501 UKZBOWXVBMHESA-BBWFWOEESA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1C[C@@H](C)CO1 2278233347 CVLNJOYRPMPVMP-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](O)c1scc(OC)c1OC 2278747049 XIYZSOOKYOHJEY-GFCCVEGCSA-N 286.437 4.549 30 10 CJEE Cc1cc(NC[C@H]2CC23CCCCC3)cc(C)c1C#N 2280576525 DUQRIOGPZSAQCT-OAHLLOKOSA-N 268.404 4.557 30 10 CJEE N#C[C@]1(CC[C@@H]2CCCC23CC3)CCOC12CCCC2 2281334594 XKTMLNOOKGXWRI-RDJZCZTQSA-N 273.420 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)c1sccc1CC 2282914791 JZVGBRGDSVLYPY-HOTGVXAUSA-N 297.508 4.812 30 10 CJEE CCN[C@@H]1C[C@H](C)C[C@@H](C)[C@H]1CC=CC#CC(C)(C)C 2284089503 QBWJJIZISYUJJE-BRSBDYLESA-N 275.480 4.643 30 10 CJEE CCCCCCCCNc1ccc2c(C)n(C)nc2c1 2287235014 PPZXFGNLPJAEJX-UHFFFAOYSA-N 273.424 4.654 30 10 CJEE C=C(C)CCCCN1CCC[C@@H]1c1ccccc1OC 2287379933 RBUHKOJVRNTNAC-QGZVFWFLSA-N 273.420 4.579 30 10 CJEE C=CC1(Nc2cnc(C(F)(F)F)c(C)c2)CCCCC1 2288159603 DDHDLPIICWFEGX-UHFFFAOYSA-N 284.325 4.710 30 10 CJEE CC(C)(C)c1ccccc1[C@@H](O)CC#CC1CCCC1 2289923769 CWFYKGWLWBVIAP-SFHVURJKSA-N 270.416 4.601 30 10 CJEE C=CCCCCCC[C@@H](CCCC(C)C)OCC(=O)O 2291269154 LVQCMXZRFPGKDH-INIZCTEOSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@](C)(OCCC(=O)O)[C@@H]1C[C@@H]1C 2291588392 WRUKQHYXYMXQAM-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](CC1CC(C)C1)OCCC(=O)O 2291611674 YTJBAYFGJGTTGX-UYSNPLJNSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCCC(C)(C)C1 2292895497 RNLGFGHGLDQUSM-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@](C)(F)C1)OCCN 2292896499 HUHQMSSSFWBCRT-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE C=CCCCC[C@@H](OCCCN)C1CCC(CC)CC1 2293291584 IWGSUVYSTYJHNQ-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1C=CCC1)OCCN 2293356975 MNOOWJLHZHNJTK-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1CC2(CC2)C1 2293357167 ODHFOPBGRWAMBE-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCC(OCCN)(C1CC1)C1CC1 2293453961 DNYBEEFDFQQGAJ-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)c1sccc1C 2293880214 YJQROTHDVUULCM-QGZVFWFLSA-N 295.492 4.774 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H]1CCCC(F)(F)C1 2294321772 XOEDRTPNHRAQGM-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE O=C(C=CNc1ccc(Cl)cc1Cl)c1ccccc1 2297535289 AYJSGMNMVYNOAM-UHFFFAOYSA-N 292.165 4.802 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1csc(Cl)c1 2301746465 QGYPAMMUPJYKCP-SNVBAGLBSA-N 261.777 4.556 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C2CC2)s1 2304129808 VJNTWSBKUITFNR-LSDHHAIUSA-N 250.407 4.651 30 10 CJEE CC(C)=CC(=O)c1c(C)c(C)c(Br)c(C)c1C 2305689511 VSSSJYXHPKQNPR-UHFFFAOYSA-N 295.220 4.832 30 10 CJEE CCCCCCCCN(C)C[C@H]1CC[C@@H]2C[C@@H]2C1 2311205650 HDJGDQVKASEIQL-BBWFWOEESA-N 251.458 4.715 30 10 CJEE CCCCCCC[C@@H](NC)[C@@]12CCCC[C@@H]1CC2 2313289354 DGJWVFFEMLLSCJ-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CC)CC[C@H]1C#N 2313661058 LVGXFZPDYVJWDG-IJEWVQPXSA-N 263.450 4.959 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H]1CCC1(F)F)NC 2313735613 CHYKJOJJBWANKQ-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCC(CC=C)[C@@](CC)(CNC(C)C)C(C)C 2316736721 OXGAVNZSQTUTCA-KRWDZBQOSA-N 251.458 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H](C)CCCC 2316738236 FYEAWFDIXXVIEL-DOTOQJQBSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(Cl)cc1C 2316746643 JHRWDPWCFJBZFH-MRXNPFEDSA-N 263.812 4.677 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)c(Cl)cc1F 2321103360 YVRVSZFSHOXMGM-MEBBXXQBSA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(CCC)CCC1)NC 2321104945 KIQANKZNXLNSCQ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1sc(Cl)cc1OC 2321114488 AGYPQSHUHJLALT-KGLIPLIRSA-N 287.856 4.663 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@H](F)C1)NC 2327351698 XVPPCZSJBJCMBN-OWCLPIDISA-N 257.437 4.853 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]21 2333326972 ILBLUZZDQYXIQJ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2333960925 QNRLLGFPNSGPNF-WOYTXXSLSA-N 269.448 4.852 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1NCC 2335199764 GAXIIEJKZBNMHY-MUIFIZLQSA-N 281.509 4.653 30 10 CJEE CCCCCCCC[C@@H]1NC[C@H](C)C[C@H]1C(F)(F)F 2338014263 ZTURDGCTMDPDFJ-MCIONIFRSA-N 279.390 4.914 30 10 CJEE C#CC1CCC(NCc2ccc(Cl)c(Cl)c2C)CC1 2338674704 SMWQVQQJQGPFKZ-UHFFFAOYSA-N 296.241 4.583 30 10 CJEE C=CC1(CNC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1 2338925039 RWRIYAGSLYPCQQ-YESZJQIVSA-N 261.453 4.539 30 10 CJEE C=C[C@H](NCCCc1cc(Cl)cc(Cl)c1)C1CCC1 2341135641 BYDMYZOMTANMKT-INIZCTEOSA-N 298.257 4.870 30 10 CJEE CCCCCC#CC[C@H](CCCCC1CC1)NCC 2341416142 DEIBNKSGLDDBFS-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@@H]1C1CCCCC1)NCCC 2341890948 BICZBZPAUCAIQI-FJIDUMEYSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCC 2344383236 HXTYFJXKNVYOTL-VIQHNZTISA-N 263.469 4.639 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C#N)CCCOC2(C)C)C1 2344864335 VXVWUDAMBCWMIE-PBHICJAKSA-N 263.425 4.692 30 10 CJEE C=CCCCS[C@]1(C(=O)O)C[C@@H](C)CC[C@@H]1C(C)C 2352003607 IAGBMPFANZYXJW-SQWLQELKSA-N 284.465 4.601 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CCCC(F)(F)CC1 2352167686 GWMMMSAZULSFGL-JSGCOSHPSA-N 294.451 4.953 30 10 CJEE C[C@@H]1[C@@H](N(C)C[C@](C)(CS)C(C)(C)C)CCC[C@H]1C 2352310216 BCVSNJTXGQODLP-WBTNSWJXSA-N 285.541 4.725 30 10 CJEE C=C[C@@H](C)CC(=O)CC1CCC(CC(F)(F)F)CC1 2353163421 AGARPAAJPKICFN-PNESKVBLSA-N 276.342 4.917 30 10 CJEE C=C([C@@H](N)C1CCC(CC(F)(F)F)CC1)C(C)(C)C 2353643846 WKYRQVVCELQTNT-WXRRBKDZSA-N 277.374 4.675 30 10 CJEE CSc1cc(NCc2ccc(Cl)cc2)ccc1C#N 2353831705 MGBUHYYDUKWTKO-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CSc1cc(N[C@]2(C)CCCC[C@H]2C)ccc1C#N 2353844106 CBNROIDPDJSZBI-MLGOLLRUSA-N 274.433 4.661 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2357777358 UIECXMBJXZCQMS-WNHJNPCNSA-N 270.416 4.966 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1SCC(F)(F)F 2360231017 RWNXVYWDLAQFOG-IHRRRGAJSA-N 299.361 4.758 30 10 CJEE C=CCC(CC=C)Sc1cccnc1CNC(C)(C)C 2360378859 QWVWKRZWFLLIKX-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE CCC(C)(C)c1ccc(OC[C@@H]2CO2)c(C(C)(C)CC)c1 20554747 WHFAHZBOVCSEEU-HNNXBMFYSA-N 290.447 4.839 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(OCC#N)cc1 22154354 JCQFOXIEWZCFFY-DLBZAZTESA-N 286.419 4.606 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)s1 37071365 CGCNFRHBZMAZDL-SNVBAGLBSA-N 276.792 4.641 30 10 CJEE CC(C)[C@@H](C#N)c1ccc(-c2ccccc2F)cc1 41323380 AYDPUJXWBOPULL-MRXNPFEDSA-N 253.320 4.756 30 10 CJEE C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CCCC[C@H]4[C@@H]3CC[C@]21CC 44020247 MXXKGWYLIJQEBP-XHCJJCCMSA-N 298.470 4.704 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1 54823533 BGIOEPLQHLKEPI-BXUZGUMPSA-N 282.309 4.590 30 10 CJEE CC(C)c1ccc(/N=C2/N[C@@H](c3ccccc3)CS2)cc1 63001282 GBUYCKIHIKPCDZ-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE CC(C)CCC[C@@H](C)Nc1cc(C#N)c2ccccc2n1 68770267 BLLNSPYVPXCOGF-CQSZACIVSA-N 281.403 4.733 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2ncccc2c1 71277559 HMBFBCRIGJTVBH-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCCCCCn1c(CS)nc2cc(CC)ccc21 74296701 XKQLSEXZZSLHIY-UHFFFAOYSA-N 276.449 4.609 30 10 CJEE CC(C)c1ccc(CCCNc2cccc(C#N)c2)cc1 76288083 IWCODKUWTWIINE-UHFFFAOYSA-N 278.399 4.726 30 10 CJEE CC1(C)CC(C#N)(Sc2ccc(Br)cc2)C1 97241665 SIJZIUGPUOVABI-UHFFFAOYSA-N 296.233 4.624 30 10 CJEE C=CCCC[C@@H](CSc1ccc(C)cc1)NCCC 97333151 PYPLFWJDCRQNBB-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=C(C)CC[C@H](NCC)c1oc2ccc(F)cc2c1C 97419347 PQWYOKGOKYWALB-HNNXBMFYSA-N 275.367 4.887 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)ccc1Br 104004634 NTOWALVQFSZIGK-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CCCCCCCN(CCC(=O)O)c1ccccc1Cl 105478845 QIJVSOXTWVLPJT-UHFFFAOYSA-N 297.826 4.592 30 10 CJEE C#CC[C@H](CC)c1ccc(OCc2ccccc2)cc1 107579206 RHUKKORIDFTEOT-KRWDZBQOSA-N 264.368 4.783 30 10 CJEE Cc1ccc(Oc2cc(Cl)ccc2C#N)c(Cl)c1 110263115 RYHAUZOTAORTSK-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CN(CC1CCCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 110264145 SPYDNMPITATKCH-RCCFBDPRSA-N 290.495 4.853 30 10 CJEE CC[C@H](Nc1cccc(Cl)c1C#N)C1CCCCC1 110449801 WQVSIQWDLYASQJ-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc(OC)cc1 112883738 YHTYQKQOSLBPON-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CCCCCCC[C@H](CS[C@H](C)CC)NCC 114866679 AYSDOQCVOVXVBL-HUUCEWRRSA-N 259.503 4.857 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCOc2ccccc21 116266876 GKWFWSJELNGEIU-RDJZCZTQSA-N 275.436 4.501 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(CC)N(C)C 118150353 NOFBGYHZZZYNTP-KRWDZBQOSA-N 269.473 4.817 30 10 CJEE CCCCCCCCn1ccc([C@H](N)CCC)c1 118244242 AWMNAAKAKUYQPR-MRXNPFEDSA-N 250.430 4.649 30 10 CJEE CCCCCCCOC[C@H]1Cc2ccccc2S1 118642874 CZTFTLFDOSYACN-OAHLLOKOSA-N 264.434 4.690 30 10 CJEE CCCCCCCCCCCC[C@H](CCSC)NN 122721169 KTEPJJKNOBOWGJ-MRXNPFEDSA-N 288.545 4.882 30 10 CJEE CCCCCCCCCC(=O)C1(CN)CCC(C)CC1 124195719 YHUNGVDFDOYVOG-UHFFFAOYSA-N 281.484 4.851 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@H](O)CCC2 124407758 OOLBZOGOFLGCQL-QGZVFWFLSA-N 263.425 4.608 30 10 CJEE Cc1cc(Oc2ccccc2C(C)(C)C)ccc1C#N 126904911 BAROFEXMLOIHLI-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CCc2cccnc21 130644993 MNFHNZSBIDAYAR-SJORKVTESA-N 275.436 4.613 30 10 CJEE CCCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1C(=O)O 131225830 DQLCHBVMAOCPKU-KFWWJZLASA-N 254.414 4.874 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1OCCc2ccccc21 139389156 CVWDCPWCYSDWSA-OALUTQOASA-N 289.463 4.768 30 10 CJEE C[C@H](NC[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl 141298912 UAZFDGQABWMENQ-WDEREUQCSA-N 299.245 4.830 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(C)nnc1CC 143444199 DSZSZPSYDPWRMV-KRWDZBQOSA-N 291.483 4.878 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](CCC)OC 159793127 AWJMSVOKPSAPRN-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C=C(Cl)CN[C@@H](c1ccccc1)c1ccc(C)cc1C 160998875 SYYYSBOBRCCDGZ-SFHVURJKSA-N 285.818 4.735 30 10 CJEE CCCCCCC[C@@H](O)C1(OCC)CCCCCC1 162878449 XWBIEAXRUFOQKA-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE CCCCCCCC(=O)CCc1ccc(OC)cc1 164703758 BQCFFNCGAXNFIF-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CCCCCCCCOCCC(=O)c1ccccc1 167580044 XMEXTHKUIOTVGB-UHFFFAOYSA-N 262.393 4.637 30 10 CJEE C=CCCC[C@H](NCCC)c1cc2c(s1)CCC2 167696244 PUVXFMDXJJVKHT-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H](CC#N)CCC3 211083783 HTTUNTULBKBINB-LBPRGKRZSA-N 266.388 4.799 30 10 CJEE CCCCCCCCCCN(CC=O)C(=O)OC(C)(C)C 217881024 CAXQFDHPWLWHTN-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1cc(F)cc(C#N)c1 226586072 DIIMKPIIMVSCBU-XWIAVFTESA-N 289.394 4.675 30 10 CJEE Cc1ccc(S[C@@H]2C[C@H](C)CC[C@H]2C#N)c(C)c1 227050541 WJZDHOPFODOWKJ-IVMMDQJWSA-N 259.418 4.724 30 10 CJEE C=CC[C@H]1C[C@H](CCC)CC[C@H]1CNCC(C)C 227527786 KMNKMPUKCOKCLG-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228392692 COYVKLCKKRGQDP-HNNXBMFYSA-N 296.252 4.683 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 228821624 IJVXWUHDCQCMJA-GJZGRUSLSA-N 257.421 4.571 30 10 CJEE Cc1ccc(Cl)c(Nc2cc(C)ccc2C#N)c1 232244931 GSMGJFDAPOCAAJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCC[C@@H]1NCCc2cc(OC)ccc21 232940919 MJGQIBVKWIRTLV-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=CCCCCCC[C@H](CNCC)c1ccccc1 233525449 TXKWKZYCICDAEY-GOSISDBHSA-N 259.437 4.906 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(OC)cc1F 233545322 KKGXIQKHMWGGOF-KRWDZBQOSA-N 279.399 4.621 30 10 CJEE CCC[C@H]1CCCN([C@H](CC#N)c2ccccc2)CC1 251307457 IJPJLAKLEFLYSX-FUHWJXTLSA-N 270.420 4.544 30 10 CJEE CCN(CC)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 252460319 DMEVDAIAXZGPIU-UHFFFAOYSA-N 291.398 4.765 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253047099 QMECHDNHBHGPJW-XDNAFOTISA-N 263.469 4.927 30 10 CJEE CC(C)C(C(C)C)[C@H](C#N)Nc1cccc(Cl)c1 306105178 RWZGGVGKMMJBON-AWEZNQCLSA-N 264.800 4.572 30 10 CJEE CC(C)(C)C(C)(C)Nc1ccc(C#N)cc1Br 310554150 XMYJBNRRQADQED-UHFFFAOYSA-N 295.224 4.557 30 10 CJEE C=CCO[C@H](C)CNC(CCCCC)CCCCC 311720958 MCYUONGEIIWTHX-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=CCCCN[C@@H](c1ccccc1)C1CCCCC1 311944326 LDIJZTUKYZQVRS-SFHVURJKSA-N 257.421 4.864 30 10 CJEE CC(C)C[C@@H](C)CNc1ccc(C#N)cc1C(F)(F)F 312157077 INANARJSTRVMML-LLVKDONJSA-N 284.325 4.671 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC23CCCC3)c(C#N)c1 312537404 KQRAQXJOBAHIED-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE C[C@@H]1CCC[C@@H](COc2c(C#N)oc3ccccc23)C1 312599452 SARFPPJEJVRWEO-CHWSQXEVSA-N 269.344 4.510 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCOc2ccccc2)C1 316786784 GZRSDWGRWBMZEL-AEFFLSMTSA-N 274.404 4.631 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2Cc3ccccc3S2)C1 316894498 SNAAURGNQHOHJO-QGPMSJSTSA-N 288.456 4.879 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CC[C@H](CC)C1 319291851 ZPVXUGMYRHYCHD-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE N#C[C@H](CSc1ccc2c(c1)CCC2)C1CCCC1 397385394 WCFYHHYKIOMOEE-MRXNPFEDSA-N 271.429 4.597 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCCCCCCC[C@@H]1N 403890131 GDRUSYBYFKTSTO-IRXDYDNUSA-N 281.484 4.826 30 10 CJEE CCCC1CCC(C#N)(CCc2ncccc2C)CC1 404971448 OJNUEAKDQOYADX-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1oc2ccccc2c1C 464439534 XZXXCJXHOOJOIK-TZMCWYRMSA-N 285.387 4.521 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1CC 505000873 LMFNGPRMWJHJPJ-INIZCTEOSA-N 286.419 4.602 30 10 CJEE C[C@@H](NCC1(C#N)CCCCC1)c1ccc(Cl)s1 594718186 SKJDBKFVSRDNRI-LLVKDONJSA-N 282.840 4.526 30 10 CJEE C=CCCCN(C)C(=O)Nc1ccccc1CCC(C)C 605918049 QGCWLSAZBUSTGF-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE C=C(Cl)Cc1ccc(Br)c(Cl)c1F 606297911 SSCADQXCBTXTSV-UHFFFAOYSA-N 283.955 4.537 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(C)c(C(F)(F)F)c1 686679346 ZBLQUICNFJCFNV-OAHLLOKOSA-N 284.321 4.631 30 10 CJEE CC(C)CCCC/N=C1/NC2(CCCCC2)CCS1 687321329 UPMUUQDEKZKZGE-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE CCCCCCCCCCNC[C@@]12CCC[C@H]1OCC2 687474702 VVGFOFUSJVXTMK-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE Cc1cncc(CC2(C#N)CC(C)(C)CC(C)(C)C2)c1 688314553 GQMGHZOSFMRQHO-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1F 692271287 HEVIEOJORAJDJA-CPUCHLNUSA-N 261.384 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(C)cccc1C 692273655 WHWUPYFABGIOQW-AEFFLSMTSA-N 257.421 4.528 30 10 CJEE Cc1cc(C#N)ccc1N(C)Cc1cc2cscc2s1 693983732 BCKPWYYQELVJAC-UHFFFAOYSA-N 298.436 4.779 30 10 CJEE C[C@H]1CCC[C@@H](N(C)CCCCC(C)(C)C#N)CC1 697855538 NVFUORXMIIAOIY-JKSUJKDBSA-N 264.457 4.607 30 10 CJEE CCCCCCCCC[C@@H](O)C(C)(C)C(F)F 698459497 XVEZOUAEGUXVAR-GFCCVEGCSA-N 250.373 4.779 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C1CCC1 701308284 MHCZHHVSGXXOCO-RNCFNFMXSA-N 296.197 4.606 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1CC(C)(C)C1 701467335 STFJSFYEJTUCTQ-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE FC(F)(F)c1cccc(SC[C@H](CS)C2CC2)c1 701995731 YPHTYUAZVDZUEA-JTQLQIEISA-N 292.391 4.754 30 10 CJEE CCCCCCCn1c(C(C)C)nc2cc(N)ccc21 703782987 QMVDQBHLOWPQHC-UHFFFAOYSA-N 273.424 4.712 30 10 CJEE CCCCCCCCCCNCc1ccc(Cl)cn1 703865399 AVETUWYNABGJQQ-UHFFFAOYSA-N 282.859 4.965 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C=O)CCCc2ccccc21 703892265 MJCAIZZGTWILAS-KXBFYZLASA-N 272.432 4.922 30 10 CJEE N#Cc1cc(F)ccc1Oc1cccc2sccc12 705108441 XOBYOSUSBHSLLH-UHFFFAOYSA-N 269.300 4.704 30 10 CJEE C[C@H]1CC[C@@H](C)N1CCCCCCCCCS 706429480 ICFJDEIDDSSHFV-GASCZTMLSA-N 257.487 4.520 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCCC12CC2 706963013 WESRRMRRVXLUSO-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C[C@@H]1C[C@@]1(C)CN(C)CCCCCCCCCS 707411979 DQZYKBZKPFLCGJ-CVEARBPZSA-N 271.514 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 709364802 VAHLWNWTMQCPQS-ABFRBSLYSA-N 273.420 4.628 30 10 CJEE C=C(Cl)CC(=O)c1ccccc1OCc1ccccc1 710614788 DDLAVTPSDALXGV-UHFFFAOYSA-N 286.758 4.591 30 10 CJEE C=C(C)CC[C@@H](O)c1c(Cl)cccc1C(F)(F)F 712605219 GCGGJRXNYKDOPC-LLVKDONJSA-N 278.701 4.749 30 10 CJEE CC(C)C[C@H](C)/N=C1/NC2(CCCCCCC2)CS1 713285398 NOEXXWFRRRRRKV-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C1CCC(CCC)CC1 715771063 RLWHXXSIHKDBSH-RDHHWEPZSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccccc1C(C)(C)C 715799405 ZXRUZMQKLFTZQW-PBHICJAKSA-N 259.437 4.847 30 10 CJEE C=C1CCC(CNc2c(CC)cccc2CC)CC1 724550077 OKSVVSIQEWGUTL-UHFFFAOYSA-N 257.421 4.970 30 10 CJEE CCC[C@H](CS)CSCc1ccc(Cl)o1 757170276 PDGSMEITUTYRQE-SECBINFHSA-N 264.843 4.512 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCCCC[C@H]2C)C1 821942653 NYXDKCRHDWXRPT-HSFUPAIVSA-N 276.468 4.605 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CC2CCC1CC2)c1ccccc1 1127384234 PLVSDEAMVLNJRP-HWMSQKFYSA-N 297.442 4.636 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)cc(Cl)c1F 1132587927 AIKDIMWXYBISOQ-MRVPVSSYSA-N 290.165 4.673 30 10 CJEE C=CC[C@H]1CCN1[C@H](C)c1ccc2ccccc2c1 1176813460 BGRHWIZAIGIMSM-KDOFPFPSSA-N 251.373 4.551 30 10 CJEE C=CCN(CCc1ccccc1)Cc1csc(C)c1C 1180280846 OFFDHWOFNBDVDX-UHFFFAOYSA-N 285.456 4.596 30 10 CJEE C=CCCCN[C@H](C)c1ccccc1OCc1ccccc1 1307613103 NTDMEGXICQJEIV-QGZVFWFLSA-N 295.426 4.882 30 10 CJEE C=CCN(C/C(C)=C\c1ccccc1OC(F)F)C(C)C 1308585667 QMQJLCWIOMXVDU-KAMYIIQDSA-N 295.373 4.588 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](CC)CC2CCCCC2)CC1 1308925414 FRXBBDPOROWWOK-SZMVWBNQSA-N 261.453 4.517 30 10 CJEE C#CCCCCCC(=O)N[C@H](c1ccccc1)C1CCCC1 1351894692 DRPOSKHBBINUDE-HXUWFJFHSA-N 297.442 4.618 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1cc(C)cc(C)c1 1435135729 YSLNLNSPYUHQDL-UHFFFAOYSA-N 285.431 4.512 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1ccc(SC(C)C)cc1 1458774116 XXTFVHHKCLCNPA-CQSZACIVSA-N 292.444 4.833 30 10 CJEE C=CC(C)(C)CCNC(=O)c1oc2c(C)ccc(C)c2c1C 1461786052 PNQWZFSLQRGONF-UHFFFAOYSA-N 299.414 4.690 30 10 CJEE C=CCN(Cc1scnc1C1CC1)CC1CCCCC1 1461991770 ZYBATKVBYIKHLZ-UHFFFAOYSA-N 290.476 4.589 30 10 CJEE C=CCC1(NC[C@@H](C)c2ccccc2)CCCCC1 1462233271 CRKQMGVWXOYJNA-MRXNPFEDSA-N 257.421 4.659 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 1463067133 RFWQBKWFIDWDFB-NZSAHSFTSA-N 299.458 4.821 30 10 CJEE C=CCCCSc1ccc2c3c(cccc13)CC2 1473077286 OCXQRIWWCHFYJP-UHFFFAOYSA-N 254.398 4.997 30 10 CJEE C=CCCCCCCN[C@@H](C)C1CCC(F)(F)CC1 1474512534 MLWDRNKZXPXNMP-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C=CCC[C@H](C(=O)N(C)c1cccc(C)c1)c1ccccc1 1520554433 HPHGZSMLVMNTAQ-IBGZPJMESA-N 293.410 4.708 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1cc2c(ccc3ccccc32)o1 1524815073 FTTOPTXJAVIJKS-CQSZACIVSA-N 293.366 4.671 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@]1(C)CCC[C@@H]1CC 1538140453 ZYRHYWIWJSWUPU-QFBILLFUSA-N 285.431 4.960 30 10 CJEE C=C1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 1559526204 ONDIDKQJFPCZAX-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)c1ccc(OC)c(C)c1 1561002849 ZKNYRPXHFWBRJM-HOTGVXAUSA-N 275.436 4.789 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](CC)c1ccc(C)c(F)c1 1584012535 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283.500 4.808 30 10 CJEE C=CCCCCCCCCCC(=O)C12CC(CCO1)C2 2207433963 DGEFLESBYCGGQM-UHFFFAOYSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCO[C@H]1CCN[C@H]1C(C)(C)C 2207441049 ZXSPZRUEKWJJCF-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](CCC)COC 2207442695 UAMHWOQMJQAIOZ-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@]12CO[C@](C)(C1)C2 2207449265 PMSPSQJSNNOOGM-KZNAEPCWSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@]1(C)CCCCN1 2207450222 UCSQLFMXCWXLBN-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@H]1[C@H](C2CC2)C(=O)N1[Si](C)(C)C 2207452326 YPOGHMFTXACBOF-HOTGVXAUSA-N 295.543 4.809 30 10 CJEE CCCCCCCC[C@H](CN)N(C)CCCC1CCC1 2207457335 NWMWMVMAJXBPJZ-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CC(C)N[C@@](C#N)(CS[C@H]1CCC[C@@H](C)C1)C(C)(C)C 2207555942 PSDSMCMEBDPICM-VYDXJSESSA-N 296.524 4.605 30 10 CJEE CCCN[C@@](C#N)(CSC1CCCCC1)C1CCCC1 2208124894 YRVFJKVPWDRHMS-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1cccc(Cl)c1Cl 2211219266 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MYPCRLFASOORAB-YESZJQIVSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCC[C@H](NN)C1(CCC)CCC1 2227280421 BNOCUTWXAJZEOE-INIZCTEOSA-N 266.473 4.705 30 10 CJEE C=CCCCCCCC[C@H](N)c1coc(C(F)F)n1 2227286223 HKSYBQWANVDHGZ-NSHDSACASA-N 272.339 4.529 30 10 CJEE CC[C@@H]1C[C@@H]1CC[C@@]1(C#N)CCc2ccccc2C1 2228258072 DRDVCFQFXLCFDJ-HFTRVMKXSA-N 253.389 4.512 30 10 CJEE CCCCCCCCCO[C@H](CC)CNC1CCC1 2230980358 AMLLQIGVKFQUQW-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](O)[C@@]1(C)CC 2231014510 LQXSGYKLXHFFCH-BRWVUGGUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H](C)[C@H](O)C1 2231035088 WTVJQRKWCLIBAF-BRWVUGGUSA-N 270.457 4.693 30 10 CJEE C[C@@H]1C[C@@](C#N)(CCC2CC(OC(C)(C)C)C2)CCS1 2232948958 LUEYDPDGKPZKCI-ARAOSMHQSA-N 295.492 4.786 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSCCCCC1CC1 2235460829 DIALZNYNNNWMQI-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)C1(O)CCCC1 2235527456 VQSWVGNIXKAXRG-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCN1CCC(COC(C)C)CC1 2235540891 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2245058706 UIKNUTKINDWSKL-IUCAKERBSA-N 278.248 4.918 30 10 CJEE C=CCCCCCCCCCSCCNCC 2251701914 QDYWOHBQQJECQI-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE CC[C@@H]1CCC[C@@H](OCCCCCCCS)C1 2252622886 LKNISTMZEXVCBW-HUUCEWRRSA-N 258.471 4.852 30 10 CJEE CCCCCC#CC[C@@H](O)c1csc(C2CC2)c1 2256066756 HFLQIZLADKAAMN-OAHLLOKOSA-N 262.418 4.633 30 10 CJEE CCCCCCC[C@H](NC)[C@@]12CCCC[C@H]1CC2 2260485287 DGJWVFFEMLLSCJ-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CC[C@H]1CCCN(CC[C@H]2CCCCC23CC3)C1 2264936001 DUZJKCSOVSMIPG-DLBZAZTESA-N 261.453 4.635 30 10 CJEE CCCCCCC[S@@](=N)(=O)C[C@@H]1CCCCC1(F)F 2267918588 YMJWGCGXKSHUEE-ORAYPTAESA-N 295.439 4.829 30 10 CJEE C=CCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCCC 2271586826 SDGWVXQAYOXPHD-OWCLPIDISA-N 283.525 4.879 30 10 CJEE C=CCCCSc1cccc(F)c1CNC(C)(C)C 2271589416 GFRBSHCDJPQNJN-UHFFFAOYSA-N 281.440 4.772 30 10 CJEE CCCCCCCCC[C@@H](C#CC1CCCC1)NC 2273996550 ZUNISTZDBGWURX-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CC1(CSc2ccc(C(F)(F)F)c(C#N)c2)CCC1 2274613555 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CCCCCCCC[C@H](N)[C@H](O)c1csc(C2CC2)c1 2283070310 WEUUXHOKEXIFLH-DOTOQJQBSA-N 295.492 4.737 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSCC1CC(C)(C)C1 2283785376 ZUKNHGBUCRXHLF-QGZVFWFLSA-N 296.524 4.606 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CC12CCCC2 2284094107 DVJNQAVTCHAATJ-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CCCCCCC[C@H](O)[C@@H](N)c1cc(C)c(Cl)cc1C 2285426069 PTOXTQCLHJLIMG-IRXDYDNUSA-N 297.870 4.678 30 10 CJEE CC(=O)c1cc(Cl)c(C)cc1O[C@H](C)CC(C)(C)C#N 2286441551 DEBDDPKYQXDDLG-LLVKDONJSA-N 293.794 4.558 30 10 CJEE C=CCCCCCCC[C@H](N)c1cnc(OC)c(Cl)c1 2287249827 GXEUKIHNOHQOFJ-HNNXBMFYSA-N 296.842 4.660 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H](O)c1ccc(C(C)(C)C)s1 2287387759 KCDNNGWDHRLIJS-CZUORRHYSA-N 295.492 4.543 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(OC(F)(F)F)c1 2287408944 OFGPRIYGXIXCCG-CQSZACIVSA-N 287.325 4.722 30 10 CJEE CCCCCCCCCN(C)[C@H](CC)[C@@H](C)CN(C)C 2288808330 TYKYIXJYLDIQGN-ZWKOTPCHSA-N 284.532 4.645 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@]23CCCC[C@H]2CC3)C1=O 2289134519 QGVAYFAOPQGFGY-BMGDILEWSA-N 273.420 4.636 30 10 CJEE C=CC[C@@H](CC)NCCCCCCCCCCCCO 2289432285 WYVRYPKCCGQUMA-GOSISDBHSA-N 283.500 4.824 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(C)cc1Cl 2289682318 SKRCSQRGUKDUSQ-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(CCC)CCC1 2289689935 IMXMAYYZBOBQQD-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@@H]1CCCCC12CCC2 2289710625 IHYXNJZMPNKIHB-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1(CC2CCC2)CC1 2289856033 XTHBLOCBEAJYRF-GOSISDBHSA-N 273.464 4.519 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC(C)(C)CCC2(C)C)cc1 2290254521 PPLWXYQILVSMJB-SFHVURJKSA-N 270.420 4.906 30 10 CJEE C=C([C@H](OCCC(=O)O)C(CC)(CC)CC)C(C)(C)C 2291137106 WBRCDZVSKVLKPW-HNNXBMFYSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@H]1C)OCCC(=O)O 2291825669 OPWJIXXZDVLDBG-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@@](C)(CCCCC)OCCC(=O)O 2292701706 MCECAVKJBIDWAW-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1cccc(C)c1 2292806285 QVYKWIMMMKGMSO-GOSISDBHSA-N 275.436 4.538 30 10 CJEE C=C(C)CC[C@]1(OCCN)CCC[C@H](C(C)(C)C)CC1 2292906884 AURHZIKDSPAWFE-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1[C@H]2CCC[C@H]21)OCCN 2292993787 KEERNGBYSOSKJI-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)CC(F)F)OCCN 2293600973 SBKOEFDFCSFXRS-GJZGRUSLSA-N 293.442 4.762 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCC12CC2 2294019952 BYLMAOCWKFNBLG-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1C=CCC1)OCCCN 2294142266 PQJYJCBCIZNHDA-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)[C@@H]1[C@@H](C)[C@H]1C 2294251685 MNFGOSHQICTOHB-MLHJIOFPSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@H]2CCC[C@@H]21 2294567256 FGYPCTGJKDWKGK-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(N)C#Cc1ccccc1Cl 2295224553 PAGZJJSJMFLAIP-WMZOPIPTSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCC[C@H]1CNC 2295519462 HBMSELVNNYLBCT-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C)O[C@@](C)(CCCCCCCCC)C(=O)O 2295596208 ILRLBDZCWBVPKF-WBVHZDCISA-N 284.440 4.952 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C[C@@H]1C[C@@H]1C)NC 2295679806 SXLSMRXLBCDZCR-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CC=C[C@H](NCCC)[C@@](C)(O)CCCCCCCCC 2295682364 PKOPJSNIHANVLH-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@](C)(OC)C1CC1 2295691136 IUGFYSWVYNHDFB-SJLPKXTDSA-N 283.500 4.920 30 10 CJEE CC(=O)C=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2297476812 QJXPJNBLAHITGA-UHFFFAOYSA-N 281.138 4.856 30 10 CJEE CCc1ccc(C(=O)C=CNc2ccc(Cl)cc2)cc1 2297532395 MSOYHSXGVDIOPB-UHFFFAOYSA-N 285.774 4.711 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1[C@@H](C)C1(F)F 2313501031 DNXNYDUAHYACDF-MGPQQGTHSA-N 261.400 4.759 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCCC[C@@H]1N 2313526467 HWIOHGWVCUWDHZ-HOTGVXAUSA-N 267.482 4.681 30 10 CJEE C=CC[C@H](C)Sc1ccc(C(F)(F)F)c(C=O)c1 2313633075 OZYAVLALLZUGAX-VIFPVBQESA-N 274.307 4.575 30 10 CJEE C=CCCCCCN(C)C[C@H]1CC[C@H]1C(C)(C)C 2320208638 LKBRYKSMUMOYRY-HZPDHXFCSA-N 251.458 4.737 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CCCC(C)(C)C1)NCC 2321097240 ZTOQQZLOULMVKC-HRCADAONSA-N 251.458 4.783 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321553033 RPTAEOUHAKHOAU-NWDGAFQWSA-N 262.315 4.505 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC[C@@]12CCC[C@H]1C2 2327110390 SPYUNSYKPTURSQ-CWRNSKLLSA-N 270.482 4.566 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2ccc(Cl)cc2)C1 2327117654 CQVZJFHGCZISPQ-UHFFFAOYSA-N 261.796 4.948 30 10 CJEE CC(C)C[C@H](CS)COCC[C@@H]1CCCC12CC2 2328525506 JXGNGFJVKJLNPV-GJZGRUSLSA-N 270.482 4.566 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2CC[C@@H]3C[C@H]23)NCC)CC1 2328646945 JXYVSNSEGSCSGB-ZJPYXAASSA-N 261.453 4.537 30 10 CJEE C=C([C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2)C(C)(C)C 2334762215 YXFICEVFIGXLDF-JFIYKMOQSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)Sc1cc(C)cc(F)c1CNCCC 2335232706 SHQOVJBUGBHJJN-ZDUSSCGKSA-N 281.440 4.690 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(C)c(CC)c1 2336273567 DJNWZPHYBHCUJO-GOSISDBHSA-N 259.437 4.954 30 10 CJEE C=CCCCCCCC[C@@]1(N)C[C@H]2C=C[C@H]1CCC2 2338625183 JRYMWSJELLRPJM-KZNAEPCWSA-N 261.453 4.977 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2338731868 DOSAHEFAZIVZTL-GVDBMIGSSA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)(C)C)CCC1(C)C 2338743084 BNYIBFVXMMRXFF-SFHVURJKSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](CCCc1cccs1)NCC 2338743758 IPWQAZFKBGMZJY-KRWDZBQOSA-N 277.477 4.817 30 10 CJEE CCCCCCCCCC1(OCCN)[C@H](C)C[C@H]1C 2338769727 XOWKRTRGQOZLRM-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(N)C#C[C@H]1CC1(C)C 2339546931 LLCRLEBUKIUJMM-FUHWJXTLSA-N 263.469 4.894 30 10 CJEE N#C[C@]1(Cc2ccccc2C2CC2)CCC12CCC2 2341744759 NUEFXWKVCVAGKK-GOSISDBHSA-N 251.373 4.581 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@@H](CC2CC2)C2CC2)C1 2343925282 YFZFRAYGLFOZSL-INIZCTEOSA-N 261.453 4.537 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1nc(C)c(C)s1 2344336280 HXXBBCIKDQXMSH-GDBMZVCRSA-N 280.481 4.793 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc2ccccc12 2344338204 XMRDOVPKCKIBQT-MSOLQXFVSA-N 253.389 4.832 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)C(=C)c1ccccc1 2344341281 ALCDHAYPBGVFCG-ZWKOTPCHSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)C1=C[C@H]2CC[C@H]1C2 2344341686 DOMPAVXGMARQDZ-LAQRGFTBSA-N 261.453 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1sccc1OCC 2344374260 HCZIPMSJJNASRS-CVEARBPZSA-N 281.465 4.790 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(C2CCCC2)cc1 2344385423 PKTBRYTYTYUWGH-QGZVFWFLSA-N 257.421 4.946 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CC[C@H]1C1CCCCC1 2352091224 AHPDATGCOTYZLD-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2C[C@@H]3CC[C@H]2O3)C1 2354994793 JIQUJNCYMVMFTC-SOUVJXGZSA-N 275.436 4.690 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCC[C@@H]1C[C@@H]1C)NC 2356074648 YQOANULTHIUOBF-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CC[C@@H]1C[C@@H]1C)NCCC 2358707677 KCRLCEDWDQUUPA-BSDSXHPESA-N 283.500 4.512 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2359653152 LWACOSOEDRZMRC-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCC(=O)[C@]12C[C@H](CO1)C2(C)C 2359849873 MDXFPNNKYHNPEP-QAPCUYQASA-N 278.436 4.677 30 10 CJEE CC/C=C/C[C@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O 12502940 PMTMAFAPLCGXGK-HVXFVWOWSA-N 292.419 4.529 30 10 CJEE C=C(C)[C@H]1CC=C(C)/C(=N/OC(=O)Nc2ccccc2)C1 34928849 SNSSDVCRPQNSAE-XZKWLNOSSA-N 284.359 4.524 30 10 CJEE CCCc1ccc(-c2[nH]c3ccccc3c2C#N)cc1 36173225 CCOMTLFPIPHLMN-UHFFFAOYSA-N 260.340 4.659 30 10 CJEE C/C(=N/Nc1ccc(F)cc1F)c1cc2ccccc2o1 38204584 ZBFDMWISCDFAOF-GRSHGNNSSA-N 286.281 4.547 30 10 CJEE N#Cc1sc(-c2ccccc2)c(-c2ccccc2)c1N 44273954 KNCZMFSRTPLTJZ-UHFFFAOYSA-N 276.364 4.536 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cccc(Cl)c1F 44814162 XOUXWJURSLVESU-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE N#Cc1ccc(-c2ccc(C3CCCCC3)cc2)nc1 49850987 FGEWQXGBLIVQGT-UHFFFAOYSA-N 262.356 4.668 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCCOc2cccc(F)c2)c1 57695237 LIIHBDRVSKCAQZ-INIZCTEOSA-N 297.373 4.909 30 10 CJEE C[C@@H](c1ccccc1)[C@H](C#N)c1cccc(Cl)c1 57746213 MBZXMYUMOCBYED-LRDDRELGSA-N 255.748 4.751 30 10 CJEE CCCCCCCOc1ccc2ccc(O)cc2c1 59211451 SXHZMNSBIFZCMS-UHFFFAOYSA-N 258.361 4.895 30 10 CJEE CCCCCCCCCOc1ccccc1[C@@H](C)O 59292842 BJYAPJHMJDKYQE-OAHLLOKOSA-N 264.409 4.869 30 10 CJEE COc1ccc(Cl)cc1[C@@H]1CCCC[C@H]1CC#N 62661280 IHKVBSDVAGWWPA-WCQYABFASA-N 263.768 4.536 30 10 CJEE Cc1sc(-c2cc(Cl)ccc2Cl)cc1C#N 77094085 GPUZVLROTDUTPQ-UHFFFAOYSA-N 268.168 4.902 30 10 CJEE CCCC1CCC(C#N)([C@](O)(CC)c2ccccc2)CC1 91878193 KMIMBSUTIIXAQI-KVZIAJEVSA-N 285.431 4.784 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1CCCC1 94577661 ITGDTKIPUAFDFV-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC[C@@H](C(C)(C)C)CC1 94581612 YTSKANDAGMQIMY-CABCVRRESA-N 285.541 4.727 30 10 CJEE COc1cccc(/C=N/c2cccc3ccccc23)c1 100042228 GAPOPAIBLHEOQJ-CPNJWEJPSA-N 261.324 4.599 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccccc1F 105839025 NFLPOSFZYDYUNC-AWEZNQCLSA-N 251.389 4.837 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCC(C)(C)CC2)C1 110265518 WFULNVLICXKDFN-IXDOHACOSA-N 290.495 4.853 30 10 CJEE Cc1ccccc1CSc1cc(Cl)ccc1C#N 110354468 PIJBBMYGMITNGF-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE C[C@@H](CCNc1cccc(Cl)c1C#N)c1ccccc1 110521546 IAXUGTHJGCUQPZ-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCC[C@H](N)C1Cc2ccccc2C1 115846152 QPDLUFOSWDAPMY-IBGZPJMESA-N 273.464 4.869 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc2c(c1)OCCO2 115855664 IGIUFZAHKTUPHC-MRXNPFEDSA-N 291.435 4.598 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(OCCC)c1 125669769 ADHKZWSKAZZHPQ-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CCCCCCC[C@H](N)c1cc2cc(F)ccc2o1 129469292 WNYGZNKKSUBZQY-AWEZNQCLSA-N 263.356 4.932 30 10 CJEE CSc1cccc(Oc2cc(C)cc(C)c2C)c1C#N 136708118 NPPWYUUYQXYVON-UHFFFAOYSA-N 283.396 4.998 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)CC1=O 137463547 YTUZAGJVMBEXPV-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](OCC)C1CC1 158240956 DHFHIHUVLYUWAM-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE N#Cc1ccc(Nc2ccccc2SC(F)F)cc1F 160492191 YOLBPMKTGOKYHV-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE C=C(Br)CN[C@H](CCCCC)c1ccccc1 161379255 GUVLBIAFTCRZQP-OAHLLOKOSA-N 296.252 4.806 30 10 CJEE C=CCN(c1cc(C)c(F)cc1[C@@H](C)NCCC)C(C)C 162262229 FJXATWRDTVHVJZ-OAHLLOKOSA-N 292.442 4.596 30 10 CJEE C[C@H]1CC[C@@](C#N)(NC2CCCCCC2)c2ccccc21 163873180 UQJHMIWMHWRPQE-KXBFYZLASA-N 282.431 4.615 30 10 CJEE CC1(Nc2ccc(C(F)(F)F)c(C#N)c2)CCCCC1 164453359 OZTCOTIZKSABCY-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)ccc1Br 167703674 ZLXDQVLBJZMDTR-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCCNc1ccc(Br)c2ccccc12 168151886 LAEGHQNHTRYESQ-UHFFFAOYSA-N 276.177 4.590 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCO[C@@]2(CCSC2)C1 169186995 DIPAHJHEVOHQRH-RDJZCZTQSA-N 298.492 4.608 30 10 CJEE Clc1ccc(/C=N/c2ccc3ncccc3c2)cc1 196113346 ADYAOINJIMZSFR-YBFXNURJSA-N 266.731 4.639 30 10 CJEE CCCCCCCCNC[C@H]1CCC2(CCCCC2)O1 229302691 HPCBUGIJGVWCQB-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE CCCCCCCCNc1ccnc2cc(N)ccc12 230756669 JQXMSHCATQTLFA-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@H](C(C)C)C2)cc1 231003899 WNJHPZKGIOQZKW-DOTOQJQBSA-N 256.393 4.516 30 10 CJEE CC(C)CCCCCCN[C@@H]1CCCCC[C@@H]1C#N 232540221 ULTFRVLQCCOXEW-IAGOWNOFSA-N 264.457 4.655 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(Br)c2F)CC1 235293880 DWJLZSWNQOCJOB-VIFPVBQESA-N 297.167 4.517 30 10 CJEE C=CCCCCC[C@@H](N)Cc1ccc(C(F)(F)F)cc1 236314885 SMIUPAUMGHUQGM-OAHLLOKOSA-N 285.353 4.712 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)c3cc(O)c(O)c(C)c3CC[C@@H]2C1 247956957 MKKOUGDVRDZEMO-ZNOIYHFQSA-N 286.415 4.603 30 10 CJEE biogenic CC[C@@H]1O[C@@H]1C[C@H](C)c1ccc(Cl)c(Cl)c1 251485721 COUCJKKTZYINDY-AQUOVQTQSA-N 259.176 4.664 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@H]1N 252725291 ZVCLTLUFQUFXAJ-BMGDILEWSA-N 275.436 4.549 30 10 CJEE Cc1cc(C(C)(C)C)ccc1C(F)(F)CCC#N 258984648 KEPUGYYMQQWEOP-UHFFFAOYSA-N 251.320 4.688 30 10 CJEE C[C@@H](C#N)c1csc2cccc(C(F)(F)F)c12 260135619 ULRFTDYOCFOJSX-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H]1CCC[C@H](C)C1 311002747 NNFBMGYLKCOHJF-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](CCC1CCOCC1)NC 313522816 LYYJACFFYNDTPZ-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)(C)C)CCCO1 315755627 SEXTZBNNCKCNAQ-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCCC(F)(F)F)C1 316957808 CXYCQPRMXFPTJY-RYUDHWBXSA-N 250.304 4.505 30 10 CJEE CCCc1ccc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 381094427 XSPUGUSYRRMGQC-HOTGVXAUSA-N 286.224 4.589 30 10 CJEE CC(C)(C)C1CCC([C@H]2CC[C@](C)(CC#N)O2)CC1 382236246 WPQKIWIIDGJKAR-OCUYMYNFSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@@H](CCCCCC(C)C)NN 383394919 QAGIIWMCDDYHRO-INIZCTEOSA-N 256.478 4.785 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(F)c(Cl)c1 387669893 POZMEUZXJYDWHZ-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CCCCCCCCCCN[C@H](C)c1nnc(C)s1 391791884 BOEJIPLHCRHUKS-CYBMUJFWSA-N 283.485 4.638 30 10 CJEE N#CCc1cc2c(Cl)csc2cc1C(F)F 396186130 FUMIKTUOTPCODP-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1cccc(Cl)c1 397496955 FKPNBHZRVYWNEV-JTQLQIEISA-N 253.798 4.618 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cc(C)ccc21 398293043 ARIBSHGNWIQODN-LBPRGKRZSA-N 260.406 4.551 30 10 CJEE CC(C)CC[C@@H]1CCC[C@@H]1NCC1CCC(C#N)CC1 442851373 FZXRKLAJINWICW-FOIPXRHGSA-N 276.468 4.511 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCC[C@@H](OC)C1 686368435 YDPPVOVKTRGQBI-LSDHHAIUSA-N 254.414 4.511 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cc(Cl)cc(F)c1F 691330343 LDUBJSJJEYCUMZ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE O=CC1(Oc2ccc(Cl)c3ccccc23)CCCCC1 692266417 DLSREEIDVVWHLV-UHFFFAOYSA-N 288.774 4.774 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CCOC1(C)C 693157076 XKPOJVYMDNCWEO-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCCC[C@H]1CN 695486207 CWMMNBLCVHVFDD-KSZLIROESA-N 283.500 4.643 30 10 CJEE CCCCCCCCCCC[C@H](C[C@@H]1CC1(F)F)NN 701010473 HKEGWHZZPUUDGX-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@](C)(N)CC 702498156 DJIICCDDMSMYDF-DLBZAZTESA-N 271.489 4.786 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(F)cc1Cl 710595601 WEBJFUBWQJOYTA-ZDUSSCGKSA-N 276.182 4.662 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@@H](NCC)C1 712809201 ZVDYHOVTNZPNTO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](COC1CCC1)NCC 714894267 WQNAANAPHQJDPZ-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](C)n1ccc2ccc(Br)cc21 715713917 JIACMKJOIWALBY-SNVBAGLBSA-N 264.166 4.541 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](C)[C@H]1CCCO1 720205301 RHBBBZMGUDTPMZ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 721395321 CXDOLOQMJTZBTB-RYUDHWBXSA-N 289.341 4.597 30 10 CJEE C=C1CCC(CN[C@H]2C[C@@H](C)c3ccccc32)CC1 724443634 USLGUDHVLXBADX-KDOFPFPSSA-N 255.405 4.571 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccncc2C)CC1 724554038 QYUCQBDVWZYKBO-SFHVURJKSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@H](O)C23CC4CC(CC(C4)C2)C3)CC1 724575503 DFLDPWJJAXPXAG-NNGLDNROSA-N 274.448 4.700 30 10 CJEE COc1ccccc1C=Nc1ccc2c3c(cccc13)CC2 1083901386 DMCDTMHRSWEDGL-UHFFFAOYSA-N 287.362 4.698 30 10 CJEE Clc1cccc(C=Nc2ccccc2Cl)c1 1084314128 WRYMBXWWWYDMAQ-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)Cc1c(CC)oc2ccccc12 1124584845 GGSPHEVZSQQLLY-LJQANCHMSA-N 299.414 4.556 30 10 CJEE 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4.622 30 10 CJEE CCCCCC#CC[C@H](N)c1c(F)ccc(F)c1Cl 2139000425 HHMKXOJUMYAARD-ZDUSSCGKSA-N 285.765 4.592 30 10 CJEE CCCCCC#CC[C@@H](N)c1cc(C)c(C)cc1C 2139008388 LTTSMJAEVNLVGM-GOSISDBHSA-N 257.421 4.585 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CCC1 2139114686 GKOIKKSAGQNNKC-ZDUSSCGKSA-N 296.197 4.750 30 10 CJEE C=C1CC(C[C@H](O)c2ccc(-c3ccccc3)s2)C1 2141246915 DPLWPYRKFIAIEL-HNNXBMFYSA-N 270.397 4.805 30 10 CJEE C=CCCCCCC[C@H](CCc1ccccc1)NC 2141904911 GQCVKCWYCMMDNL-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C=CCCCCCC[C@H](CCc1ccco1)NCC 2141912599 ZZWVOPZMEDZCCX-MRXNPFEDSA-N 263.425 4.717 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1C[C@H]1c1ccccc1 2141917577 XBNBSPSDBCKOBB-KSZLIROESA-N 258.405 4.678 30 10 CJEE C=CCCCCCCN(C)Cc1cnc(C(C)C)s1 2141920907 HKMCQAYOAWSEIB-UHFFFAOYSA-N 280.481 4.835 30 10 CJEE C=CCCCCCC[C@@]1(O)CCc2ccc(C)cc21 2141999021 JRHRKKOOOIGNGI-GOSISDBHSA-N 258.405 4.655 30 10 CJEE C=CCCCCCCCCN[C@@H]1[C@H]2C=CC[C@H]1CC2 2142440447 RVCVMIUPWJYBII-OKZBNKHCSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@H]1CCOC1 2142441081 KMMZDXHRUDGLDM-MRXNPFEDSA-N 266.425 4.679 30 10 CJEE C=CCCCCCCCCCO[C@@H](C(C)C)[C@H](C)N 2142444215 RAIJOWBJGPPSCV-IRXDYDNUSA-N 269.473 4.682 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@](C)(N)C(C)C 2142445624 HXAQISIHBBQCPW-KRWDZBQOSA-N 267.457 4.626 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1CC1(C)C 2142449313 YWLKUFBKAAUFCC-CVEARBPZSA-N 266.473 4.561 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@@H](C2CCCC2)CCS1 2143553622 UDLOWSCYHQZPLX-HZPDHXFCSA-N 296.524 4.987 30 10 CJEE CC1(Oc2ccc(C#N)c3ccccc23)CCCCC1 2145501270 OCUYOVBQHRGZSY-UHFFFAOYSA-N 265.356 4.813 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)CC1(CCC)CC1 2146809906 WFDHKCIRXJZSQT-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE N#C[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC(F)(F)C1 2146988414 ZUZHQQTTWHOULS-LBPRGKRZSA-N 289.247 4.577 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)cc1C 2148591462 PIGAMGONABBJNY-DLBZAZTESA-N 297.870 4.760 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1NCC1(C)C 2148964325 MKAJMLKYFMQAFO-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CC(C)CNC[C@]1(CC#CC(C)(C)C)CCCC1(C)C 2149432591 CXWNZZSJBMMJNO-IBGZPJMESA-N 277.496 4.868 30 10 CJEE CC(C)(C)C1CCC(O)(CC#CC2CCCCC2)CC1 2149851679 WOVWTNSBWWLOLJ-UHFFFAOYSA-N 276.464 4.928 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC1(COC)CCCCC1 2150616590 ZKNRFXUHVJSTRU-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CSc1ccccc1[C@@H](C)Nc1ccc(C)cc1C#N 2152748154 YDFDYIVSASKWDF-CYBMUJFWSA-N 282.412 4.762 30 10 CJEE C=C([C@H](NCC)[C@]1(OCC)CCC[C@@H](C)C1)C(C)(C)C 2152923617 FMEJTUZBLRCCMK-HFTRVMKXSA-N 281.484 4.552 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CCC(C)(F)F)NC 2153570768 VYOIDEVEWCPHJO-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE CC(C)[C@H]1CC[C@H](NC[C@H](C#N)C2CCCCC2)CC1 2154171820 NSGDOSMHAKGOCZ-SZMVWBNQSA-N 276.468 4.511 30 10 CJEE CCCN[C@H](CC#CC1CC1)[C@H]1CCCC(C)(C)CC1 2157117995 QMPPXCIWFFZRKA-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](NN)C1CC2(C1)CC(C)(C)C2 2157155267 VTENBZPOXLQFGV-MRXNPFEDSA-N 280.500 4.785 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1CC(OC(C)(C)C)C1 2158319401 CFQGLKFJJSHVKL-VXLLPVPCSA-N 281.484 4.551 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCC(C)(C)CC2)ccc1Cl 2163928826 MUVPIPQTUFQNDA-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE CCCCCCCCC[C@H](NC)c1cncn1C1CC1 2164090430 KFNAPMRYJKIVML-INIZCTEOSA-N 277.456 4.619 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CCCCCN1 2164177785 OVGLIASSPNFIEP-QZTJIDSGSA-N 282.516 4.637 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1cc(C)c(C)cc1C 2167603201 HAVVHSNZGAGTDK-SFHVURJKSA-N 271.448 4.702 30 10 CJEE C[C@@]1(C[C@]2(C#N)CCc3ccccc32)CCCC1(F)F 2167976820 XLKWCOAZYHEVTO-HOTGVXAUSA-N 275.342 4.610 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1ccc2ccccc2c1 2168323491 IIEMRLBRJLRPOO-HNAYVOBHSA-N 266.384 4.778 30 10 CJEE CCC1CCC([C@H](O)C2(C#N)CCC(CC)CC2)CC1 2168431902 OAXXDSOVEUDCRL-LESVLKBLSA-N 277.452 4.674 30 10 CJEE CC(C)[C@@](O)(c1cccs1)[C@@]1(C#N)CCCC(C)(C)C1 2168543559 YPACHIWMZNJEKX-DLBZAZTESA-N 291.460 4.702 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)c2ccc(F)c(Cl)c2)C1 2168547835 KGLNIWKWABGZQL-ZBFHGGJFSA-N 295.785 4.623 30 10 CJEE CCC1(OCC2CCC3(CC2)CC3)CCC(=NO)CC1 2169077417 XDRWWLOHPHEQEG-UHFFFAOYSA-N 279.424 4.526 30 10 CJEE CCCCCCCNCCC(CC)(CC)CCC(=O)O 2171395061 RODMKSIFGHLWQP-UHFFFAOYSA-N 285.472 4.608 30 10 CJEE Cc1ccc(C#N)c(N2CCCC[C@H]2c2cccs2)c1 2171824845 VWNXRXJMPPKRGC-HNNXBMFYSA-N 282.412 4.660 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](O)[C@]12CCCC[C@@H]2C 2173631367 CKGIUMASMHOBNA-WNRNVDISSA-N 282.468 4.693 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)c1nc2c(s1)CCCCC2 2173632746 FRKBEBKLNXEBKT-QGZVFWFLSA-N 288.460 4.774 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@H]1CCCC12CCC2 2173710324 URBNCSZKGJNNGU-INIZCTEOSA-N 295.536 4.911 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn(C(F)(F)F)c1 2175160889 QQLFBFULVUXSDY-CYBMUJFWSA-N 292.345 4.534 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)c1cc(C(F)F)cs1 2177438930 XEBFPRGPOFNQPO-AWEZNQCLSA-N 297.414 4.920 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@]1(C)C(F)F 2177453025 XAKPEEVNJPXXHK-DZKIICNBSA-N 290.442 4.640 30 10 CJEE C=CCC[C@](C)(N)c1ccc(Oc2ccccc2)cc1 2177567309 MOFNHWXWOWHEMU-SFHVURJKSA-N 267.372 4.619 30 10 CJEE CC1(C)CCC[C@]2(CCN2CC2(C#N)CCCCC2)C1 2178419263 SWMCJYBTDBRXNT-SFHVURJKSA-N 274.452 4.505 30 10 CJEE CCCN[C@]1(C#N)CC[C@@H](SC2CCCCC2)[C@@H]1CC 2179162744 LAGUNXRNHVUJGN-BBWFWOEESA-N 294.508 4.503 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1Cc2ccccc2S1 2179682413 XACFHXNMTONJHD-SJLPKXTDSA-N 289.488 4.818 30 10 CJEE CN(Cc1ccccc1C1CC1)C[C@@H](CS)C(C)(C)C 2183140154 SYCLKTBWIIIPFU-INIZCTEOSA-N 291.504 4.588 30 10 CJEE C=C1CC(C[C@]2(CNCC(C)C)CCCC(F)(F)C2)C1 2184835398 DCUTWMNIEIXYOS-MRXNPFEDSA-N 285.422 4.784 30 10 CJEE C#CCCCCCC1(CNC(C)C)CCC(F)(F)CC1 2184891505 ZPPYXBVQDAWIKE-UHFFFAOYSA-N 285.422 4.764 30 10 CJEE N#Cc1ccc(NCCC23CCC(CC2)CC3)c(Cl)c1 2184906934 ALOUWLCSUCVXOZ-UHFFFAOYSA-N 288.822 4.984 30 10 CJEE C=C(C)CN(c1ccc([C@@H](C)NCCC)cc1)C(C)C 2186471894 DDUBCGVVLWMPIN-MRXNPFEDSA-N 274.452 4.538 30 10 CJEE CC(C)c1nnc(C[C@@]2(C#N)CCCC(C)(C)CC2)s1 2186509944 DEEWBPWWGKAYPA-MRXNPFEDSA-N 291.464 4.704 30 10 CJEE C=CC1(CNCc2ccc(CC(C)C)cc2)CCCC1 2189510914 KKYWMXZEVLKOMO-UHFFFAOYSA-N 271.448 4.721 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@H](OC)C12CCC2 2190392326 ILDWLWYRUAIIIB-IKGGRYGDSA-N 282.468 4.693 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@]23C[C@](C)(CCO2)C3)CC1 2193679087 YPZNSKLOCDXXTD-OKZBNKHCSA-N 275.436 4.836 30 10 CJEE CCCCCC1CC(N=C2N[C@]3(CC[C@H](C)C3)CS2)C1 2194676843 QPQOBFNQVHMMBI-GIOUXUJVSA-N 294.508 4.597 30 10 CJEE CCCCCCCN(C)C[C@@H]1CCCCC(C)(C)C1=O 2196725013 FJLGZPGMHQSDBA-INIZCTEOSA-N 281.484 4.674 30 10 CJEE C#CC[C@H](C)C[C@H](C[C@@H](C)c1ccccc1)NCCC 2196835745 DZTFZIHFBFGCAL-YQVWRLOYSA-N 271.448 4.598 30 10 CJEE CC1(C)OCCC[C@]1(C#N)C[C@@H]1C[C@H]1C1CCCCC1 2200501324 IFINZUPOFCUDMF-XYJFISCASA-N 275.436 4.692 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1CCS[C@H](C)C1 2203792720 RQHWLXLABDDJLO-KURKYZTESA-N 295.536 4.860 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2C1 2203810498 OQRINEAHYZBSQA-RDGPPVDQSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@]1(CNC(C)(C)C)CCC(F)(F)C1 2203831499 DIWDHUWBQRFDRX-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@H]1CC12CCCCC2 2203835525 WJTXYMHLGBASGX-ROUUACIJSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCC[C@H](O)c1nc(C)c(C)n1C 2205821870 DZWQBMXUUWGILE-INIZCTEOSA-N 280.456 4.601 30 10 CJEE C=CCCCCCCC(=O)c1cccc(OC2CC2)c1 2206898434 RSOMVYDKTONDOA-UHFFFAOYSA-N 272.388 4.937 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)C1(SC)CCC1 2207372530 GAFNBXUKWHQZKS-MRXNPFEDSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1csc(CN)c1 2207426962 IABMZFPIGYGZSN-QGZVFWFLSA-N 295.492 4.937 30 10 CJEE C=CCCCCCCCCN[C@H]1CCCC[C@H]1OCC 2207429340 IBIDWNCGQQTIFZ-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1C2 2207440298 CWDOFTTWLAFZPR-FGTMMUONSA-N 278.484 4.705 30 10 CJEE CCCCCCCCc1cc(CCNC(C)(C)C)on1 2207445224 ACCVJLCMDJHZNK-UHFFFAOYSA-N 280.456 4.508 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CCCCS1 2214612750 GNGTWYMCVKOXIF-CABCVRRESA-N 255.471 4.516 30 10 CJEE C=CCCCCC[C@](C)(O)c1ccc(Cl)c(F)c1 2220327407 MOKOLXHQVNLBLQ-HNNXBMFYSA-N 270.775 4.823 30 10 CJEE CCCCCCCCCO[C@H](CC)[C@@H](N)CCC 2223187917 FQQZJQLILUFSDW-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)CC(C)(C)C(F)(F)F 2223555498 HOJREYOFDDULCF-DGCLKSJQSA-N 265.363 4.545 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)CC(C(C)C)C(C)C 2223590332 WHHMSYXYCSWXTG-HOTGVXAUSA-N 253.474 4.885 30 10 CJEE Cc1csc([C@H](O)[C@]2(C#N)CCCCC2(C)C)c1C 2225857151 JJNIUZZMJGJMTE-GOEBONIOSA-N 277.433 4.509 30 10 CJEE C=CCCCCCCCNCCc1ccc(Cl)cc1 2227267839 KEDDMSLDXVKKEG-UHFFFAOYSA-N 279.855 4.999 30 10 CJEE C=CCCCCCCCC1(N)CC2(CC(F)(F)C2)C1 2227268214 NRXOPWNOIZWCPQ-UHFFFAOYSA-N 271.395 4.810 30 10 CJEE C=CCCCCCCCN1CCC(C)(C)CCC1=O 2227282309 BBQPRHYNDCJYAF-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C#CCCN(CCCCCCCC1CC1)C1CCC1 2230952389 OHWZOAPVVYVBQW-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE CCCCCCCCCO[C@@H](c1cccs1)[C@@H](C)N 2231015210 PBEHJCGGKFRJSK-GDBMZVCRSA-N 283.481 4.904 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](NCC)c1ccsc1 2231027501 WPQJWFPBKNDMEY-HZPDHXFCSA-N 281.465 4.550 30 10 CJEE C=C[C@@H](CCCCC)O[C@H](CNC(C)(C)C)C(C)C 2231102183 CNKLPWCFAQOQIH-JKSUJKDBSA-N 269.473 4.551 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cc(F)ccc1Cl 2231484803 WLAAHUDLBUZRBD-QWHCGFSZSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)c1ccsc1 2231934755 LSYNSFBWSWACOO-CVEARBPZSA-N 283.481 4.510 30 10 CJEE CCCC#C[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 2233782292 MPFWGKKQQOGIJE-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCN[C@@](C#N)(CSCCCCC1CC1)C(C)(C)C 2235469366 GUVAFIWPBNMRCG-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CC[C@H]1OC 2236164837 GVHXOFZCTSDGCX-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C#CCCN(CC1(C)CC2(CCC2)C1)C1CCCCC1 2236529986 NPSNXULCEXNCJG-UHFFFAOYSA-N 273.464 4.615 30 10 CJEE C=CCC(C)(C)COC[C@H](NC)c1cc(C)cc(Cl)c1 2238001413 QWAASSVGCWUTDW-INIZCTEOSA-N 295.854 4.528 30 10 CJEE C=C1CC(CNCC)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 2238900230 YXIRXLVBVTXOQJ-FGTMMUONSA-N 275.480 4.929 30 10 CJEE Cc1cc(SCCCCCCC2CC2)c(C#N)cc1N 2239324038 CJSUAMYTHWOUEC-UHFFFAOYSA-N 288.460 4.902 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)C[C@@H](C)C(C)(C)C 2239455662 ABKZBPDFRPOXAZ-RHSMWYFYSA-N 291.866 4.742 30 10 CJEE CCCCCCCCCOc1cc(OC)c(F)cc1N 2239456484 MBKRYKWCXYRLPR-UHFFFAOYSA-N 283.387 4.546 30 10 CJEE CCCCCCCCCOC1(C(=O)O)CCC(C)CC1 2239526601 ZQKSKIMKSDWWMH-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=CCCCN(C)c1cccc(Cl)c1CN[C@@H](C)CC 2240036371 WMHAQEFOTDOUHW-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(C)cc1CN[C@H](C)CC 2240202255 ZPLRAOOVOKIXNP-HZPDHXFCSA-N 275.436 4.617 30 10 CJEE CCCCCCCC[C@](C)(N)c1nsc(C(C)(C)C)n1 2240609669 FACHXLFRZFAONN-INIZCTEOSA-N 297.512 4.760 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1ccc(C)s1 2240642887 RHISCYNOGWFWKO-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1sc(C)cc1C 2240645921 ZSIUFLFUXCTDMS-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1coc2ccccc12 2241138599 KNRUJCWIDMMRRY-GOSISDBHSA-N 271.404 4.556 30 10 CJEE C=C(Br)CSC[C@@H](CC)CCCC 2242465179 OLJTUTSDAGKNCX-NSHDSACASA-N 265.260 4.845 30 10 CJEE C=CCCCC[S@@](=N)(=O)C[C@@H](CC)CCCC 2253022992 UNHRWWUVTKRQBQ-WMLDXEAASA-N 259.459 4.606 30 10 CJEE CO[C@H](CSCCCCCCS)C1CCCCC1 2256660550 FWUWLRITNXHOCZ-OAHLLOKOSA-N 290.538 4.805 30 10 CJEE CSCc1ccc(CC=CC#CC(C)(C)C)cc1 2256695670 CKLOEYILHAWVGU-UHFFFAOYSA-N 258.430 4.698 30 10 CJEE N#CC1(C[C@@H]2CCC[C@H]2C(F)F)CCCCCC1 2257843333 ZJLVNEGCGKMIRQ-QWHCGFSZSA-N 255.352 4.922 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@H]1CCCCCC1(F)F 2259192563 HQHMMCAFVHOHHZ-UONOGXRCSA-N 259.384 4.666 30 10 CJEE CCCCCCCCC[C@](C)(N)CC1CC(F)C1 2263660535 IQMVKFSOJVXESY-GPANFISMSA-N 257.437 4.983 30 10 CJEE CCCCCCCCC(=O)c1c(C)nn(CC)c1Cl 2266565399 MXTIZDDXAMOVFZ-UHFFFAOYSA-N 284.831 4.798 30 10 CJEE CCCC[C@@](C#N)(CC)c1ccnc(C(F)F)c1C 2267908109 JDEAKLGHEZUONI-OAHLLOKOSA-N 266.335 4.689 30 10 CJEE Cc1ccc(Cl)c(CNc2ccc(Cl)c(C#N)c2)c1 2268007630 UWOABXSXYZNTIY-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)(C)C#CC=CCC1(C#N)CCC(F)(F)CC1 2268736379 BQVXUTGLTQRQHG-UHFFFAOYSA-N 265.347 4.701 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(C(F)F)cs1 2268740147 WWNRNWXNDVMIBL-GFCCVEGCSA-N 284.371 4.715 30 10 CJEE C=CC[C@@H]1CCCCN(CCCCC[C@@H]2C[C@H]2C)C1 2269443876 PCZIZBIQHYCKSB-KZNAEPCWSA-N 263.469 4.881 30 10 CJEE N#CC1(Cc2ccc(Cl)nc2Cl)CCC2(CC1)CC2 2271217884 LUJGIYRJYLAYFW-UHFFFAOYSA-N 295.213 4.795 30 10 CJEE C=CCCCCCCCS[C@H](C)C(=O)OC(C)(C)C 2271492811 PGPXGPQIWGINDK-CQSZACIVSA-N 286.481 4.976 30 10 CJEE CO[C@@H](CSc1ccc(C#N)cc1Cl)CC(C)(C)C 2271628786 KKIRHJYEBCWMFV-GFCCVEGCSA-N 297.851 4.755 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCCC(F)(F)CC1 2271785979 RMFRGVFCIFNDPM-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H]1C1CCC1 2271786517 YRTRJKIRWUTQFW-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCN[C@H](CC)C1CCC(F)(F)CC1 2271836891 LXPVBXICXXDOTP-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=C1CC(C[C@@H](NCCC)C2CC3(CC(C)C3)C2)C1 2272224584 BKEMGZUYMPWPTB-WMWXFNABSA-N 261.453 4.537 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C(CCC)CCC 2273978839 WBPGJTMCGWQDCN-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CC[C@](O)(CC#CC1CCCC1)CC1CCCCC1 2274164197 HQHPMJGBFNPNCD-SFHVURJKSA-N 262.437 4.682 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)c1cccs1 2275619395 DEIONBLSJRCKKJ-CYBMUJFWSA-N 284.421 4.641 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cc(C)sc1C 2276072035 QPDFKQNJLCKKMA-MRXNPFEDSA-N 283.481 4.742 30 10 CJEE C=C(C)CC[C@H](OCCCN)c1cc2cscc2s1 2276226149 YCYYTMXKHMGCET-ZDUSSCGKSA-N 295.473 4.726 30 10 CJEE C=CCCCCCCC[C@](C)(OCCCN)C(C)C 2276891347 NAWMSGCFEJFAAU-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCCCCC[C@@](C)(CCCCC)OCCCN 2277000552 OAYAWXDIBRTEHL-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CCC=CO1 2278229504 MIGVKGYIPSTJMP-IAGOWNOFSA-N 267.457 4.798 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2cccc(C)c2n1 2279602815 IHOCONYHWGZRJC-MRXNPFEDSA-N 268.404 4.550 30 10 CJEE C#CCCCC[C@H](NCCC)[C@@H]1CC[C@H](C(F)(F)F)C1 2279726686 QSQDPFSMASVXGQ-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE Cc1cc(N[C@@H]2CC[C@@H](C)[C@@H]2C(C)C)cc(C)c1C#N 2280571052 VNHPIFBZTWLBAH-PJSAGSTRSA-N 270.420 4.658 30 10 CJEE CCCCCCCC[C@H](NC)c1ccn(CCCC)n1 2285061502 GDWVLONYJVPVCO-INIZCTEOSA-N 279.472 4.694 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1nc(C)cc2sccc12 2286129808 WASJAJKBFIYBAX-SWLSCSKDSA-N 288.460 4.858 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1c(C)ccnc1C 2287468157 ZIXDSMBNAQIWLJ-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE CCCCCCCCCCOCC1(C)CC(NCC)C1 2289618291 YPSLUGOUNPRSLQ-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C=CCCCCCC[C@@H](CC(C)(C)CC)OCC(=O)O 2291272312 PAMVBGJPSGSKIZ-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)[C@H](C)C(C)C 2291806814 IBRXPDAYEBOKSG-HZPDHXFCSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@](C)(OCCN)[C@H]1CCC[C@H](C)C1 2292881817 IVWWNNKOPLVLAM-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCC[C@@H](C(C)C)C1 2292885453 OMPHUNSNWASJBM-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@]1(OCCN)CCC[C@@H](C(C)(C)C)CC1 2292906885 AURHZIKDSPAWFE-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2293301316 PDJOZMURSMOHIV-MLHJIOFPSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](CC12CCC(CC1)C2)OCCN 2293634479 OZWNISGSUJGGLX-ADKAHSJRSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)C(F)(F)F)OCCN 2293663508 MGMTZHSAOFIFFY-ZIAGYGMSSA-N 297.405 4.669 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1=CCCCCC1 2293723322 WOWQDDJBVDDGLF-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@@](C)(O[C@@H](C)C1CC1)C(=O)O 2295596127 HQPRTTSDTWEWPQ-WMLDXEAASA-N 284.440 4.786 30 10 CJEE CCCCCCSCC[C@H]1CCCC[C@]1(C#N)NCC 2295710942 KQGUEHYUUWOGCF-IAGOWNOFSA-N 296.524 4.752 30 10 CJEE CCCCCC[S@](=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2295759711 TUELSHIIWBAUFB-NLDJYOPPSA-N 297.508 4.670 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@@](C#N)(CC)NCC 2295762980 CWPDRPCCKZYEFM-IAGOWNOFSA-N 298.540 4.998 30 10 CJEE C=CCC(CC=C)Nc1cc(Cl)c(F)cc1C 2301051107 QXTLCWBWIZLMMU-UHFFFAOYSA-N 253.748 4.720 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(Br)c(C)c1 2301055433 NSGJQINBEQAORT-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(Cl)c(Cl)c1C 2301114498 BLHRVSIRLGUEFT-SNVBAGLBSA-N 272.219 4.604 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1C2 2313194933 NONXHMXWBQWGCH-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C[C@@H](SC)C1 2314179623 XVNVKXHJJNUXTO-IYBDPMFKSA-N 271.514 4.810 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H](CCC)C(C)C 2316745676 ZQHLTBAUWLDUSL-SJORKVTESA-N 251.458 4.805 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc2ccccc2s1 2321217324 OYXGPHCKCPQPLD-HOTGVXAUSA-N 260.402 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@@H]1CCC[C@H](C)C1 2321231165 CYHWIDLPRPOMAG-NXOAAHMSSA-N 252.442 4.946 30 10 CJEE OCCCCCCCC#Cc1ccc(Cl)c(Cl)c1 2327834523 XEWXRNRYKYRDQG-UHFFFAOYSA-N 285.214 4.678 30 10 CJEE CC(C)C[C@@H](CS)CO[C@H]1CCCC(F)(F)CC1 2328526774 ZFEYDGVYRASFEO-OLZOCXBDSA-N 280.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2333327764 GZBCWPOAHYHTMI-LJISPDSOSA-N 272.379 4.555 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1cc(C)ccc1C 2335102276 AAJGSKBCEAZBGU-DOTOQJQBSA-N 277.477 4.652 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(SC)cc1 2335242454 QSTDOHJFPDQDNJ-UHFFFAOYSA-N 292.469 4.845 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1ccsc1C(F)(F)F 2337098069 MFSGTUARFHJWJU-JQWIXIFHSA-N 289.366 4.601 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc2ccccc2c1 2338689949 APMLCHJKJATFGL-GOSISDBHSA-N 252.357 4.642 30 10 CJEE C#CC[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1C)C1CC1 2339045016 IUPOPXZBGDWKNU-LBPRGKRZSA-N 295.209 4.924 30 10 CJEE CCCCCCCO[C@H](C)CCCCN[C@H](C)CC 2340378038 QCBIRGCBFXWXBE-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCc1c(C#N)oc2c(Cl)cc(C(F)(F)F)cc12 2341121173 KRZMASAATDPDNA-UHFFFAOYSA-N 287.668 4.929 30 10 CJEE C=C(C)C[C@@H](O)c1ccc2oc3ccccc3c2c1 2341974648 OBCCUHORICNWFT-OAHLLOKOSA-N 252.313 4.586 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)c(F)c1 2344358497 VQGXXLHFDUZPAA-BMIGLBTASA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1csc(C(C)(F)F)n1 2344371497 KOSJYQRVHLWLMI-YPMHNXCESA-N 288.407 4.508 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)cc1C 2344372317 QWQCGXBOTSZCHS-KRWDZBQOSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCCC2(CC2)C1)NCC 2344378444 GIMJWZKUOBYEOG-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)c(F)cc1OC 2344384323 LICQNVRWEYOLBT-OAHLLOKOSA-N 284.758 4.663 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(F)ccc1C(F)F 2344463910 HJQZYGKSXSCLDW-ZFWWWQNUSA-N 272.310 4.789 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(F)cc1SC 2353847187 XAQYTAPCXTVHDC-HNNXBMFYSA-N 280.408 4.555 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1O2)NCCC 2355049732 MLVAUIYOYBAXJB-XDNAFOTISA-N 281.484 4.673 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1CF 2357147525 FBSDKVZAWLLSKO-GVDBMIGSSA-N 286.479 4.735 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC 2358138237 KZNMCIALKHEXDZ-NCXUSEDFSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2358323728 VZWIDTHDAFFWPH-VPAKFMSCSA-N 275.480 4.927 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc2c(c1)CCC2 36972808 RLSHAKSDFFVDNO-LBPRGKRZSA-N 296.801 4.873 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@H]1Sc1ccccn1 37155177 ZLFUJERALUTJQT-YESZJQIVSA-N 294.423 4.650 30 10 CJEE C=C(C)COc1c([C@H](C)NC2CC2)ccc2ccccc12 37710495 JGIBAOZZYPSOBG-AWEZNQCLSA-N 281.399 4.608 30 10 CJEE Cc1cc(C)c(C[C@H](C#N)c2cccc(F)c2)c(C)c1 57760714 KXAFOILVUJTYDP-MRXNPFEDSA-N 267.347 4.601 30 10 CJEE CCCCCCCCCOc1c(C)cc(CO)cc1C 59089547 GOTQEVZNMGPRDP-UHFFFAOYSA-N 278.436 4.925 30 10 CJEE CCCCCCCCCOc1c(CNC)cccc1OC 59272102 PRXXVNSFMVEVRM-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CC(C)COc1cccc(/C=C/C(=O)c2ccccc2)c1 62166028 OUJLHQLPYCJVQM-VAWYXSNFSA-N 280.367 4.618 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1c1ccccc1Br 62670613 ACTUECVMAVVEPY-NEPJUHHUSA-N 278.193 4.637 30 10 CJEE N#Cc1ccc(Nc2nc3ccccc3s2)c(Cl)c1 62793606 LUJVEHCOVASGBD-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCC2CCCC2)C1 62836079 GTJHTHQTCBOCOZ-VHDGCEQUSA-N 251.439 4.628 30 10 CJEE C=C(c1ccccc1)[C@H]1NCCc2ccc(CCC)cc21 75746944 ZQBIKYJPNTWCGC-HXUWFJFHSA-N 277.411 4.539 30 10 CJEE CCCCn1cc(C(=O)CC#N)c2ccc(C(C)C)cc21 84875236 GSJZYDDHEFEJSF-UHFFFAOYSA-N 282.387 4.661 30 10 CJEE C=C(CC)C[C@H](NCCC)C(CC)(CC)N(CC)CC 91634131 ISOYHJMELHCCEZ-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE CCC[C@H](CS)COc1cccc(C(C)C)c1 94582613 APYVQYSQVHMQPQ-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1ccoc1 94868909 WELKIXQJYNGFJV-GFCCVEGCSA-N 259.374 4.731 30 10 CJEE CC#CCC[C@@H](Cc1ccc2ccccc2c1)NCCC 97417441 OIPLHMXQOMJWRV-FQEVSTJZSA-N 279.427 4.554 30 10 CJEE CC#CCC[C@H](Cc1ccc2ccccc2c1)NCCC 97417442 OIPLHMXQOMJWRV-HXUWFJFHSA-N 279.427 4.554 30 10 CJEE CC(C)C1=CC[C@@H](C)/C(=C\c2ccc(Cl)cc2)C1=O 100313419 YIEGUGCWMTVPJI-HMHNVIDESA-N 274.791 4.915 30 10 CJEE CCCCCCC[C@](C)(C#N)Nc1ccc(F)cc1 103067122 BXARWSAGTMDUHX-MRXNPFEDSA-N 262.372 4.880 30 10 CJEE CCc1cc(Oc2cc(C)ccc2C#N)ccc1Cl 104182014 KLVWWSDJTSKJDO-UHFFFAOYSA-N 271.747 4.875 30 10 CJEE CCCCCCCCCn1cc(CN)c2cc(F)ccc21 107019808 MODJFUQSUMUALU-UHFFFAOYSA-N 290.426 4.990 30 10 CJEE CCCCCCCCCCOc1ccsc1C(=O)O 109972520 VHAGROMPZLWFOL-UHFFFAOYSA-N 284.421 4.966 30 10 CJEE CCCCCCCCO[C@@H](CNCC)c1cccc(F)c1 110070312 HPLFPEZKEWHCIL-SFHVURJKSA-N 295.442 4.853 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1NC 110084014 HQFIYTOSORDUMY-FGTMMUONSA-N 283.500 4.776 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 110258204 YTBGBVKPUOKRRU-INIZCTEOSA-N 276.811 4.982 30 10 CJEE CCCCCCCn1cc(CCNCC)c2ccccc21 112931321 SNKAAMSHNNUKOU-UHFFFAOYSA-N 286.463 4.764 30 10 CJEE CCCCCCCCCc1nnc([C@H](C)NCC)s1 115274708 BNIRQZVGXKLEMG-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCC[C@@H](O)C(CC)(CC)N(C)C 118168174 HBTTUPZSAPQEEQ-QGZVFWFLSA-N 285.516 4.999 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(Cl)cc1N 126561480 IHSUSQMMPDDANA-INIZCTEOSA-N 297.874 4.567 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Cl)c(Br)c1 132027163 AOMSDWCEPKNNJL-VIFPVBQESA-N 288.616 4.869 30 10 CJEE Cc1ccc(Nc2c(F)cc(C#N)cc2F)c(Cl)c1 133945165 FGJDKACDVSKZGW-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=C(CNc1ccccc1Br)c1ccccc1 134356749 OHRFBYKUPRLNKU-UHFFFAOYSA-N 288.188 4.574 30 10 CJEE CCSc1cccc(N(CC)C2CCCCC2)c1C#N 136611381 RPXHHMYSKYHTCF-UHFFFAOYSA-N 288.460 4.829 30 10 CJEE CCCCCCCCn1c(CCC)nc2cc(N)ccc21 147355982 LRRUUZISCNXLBC-UHFFFAOYSA-N 287.451 4.932 30 10 CJEE COc1ccc(C#N)c(Oc2cc(Cl)cc(Cl)c2)c1 150094604 QQMKJWJDRZDCJZ-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE CCCCCCCCC[C@H](N)c1sccc1OC 157876115 BLSQLNQQMRBRJW-ZDUSSCGKSA-N 269.454 4.897 30 10 CJEE C=CCCCC(=O)c1ccc(-c2ccccc2)cc1 169129996 AUXDGESVAQCDRE-UHFFFAOYSA-N 250.341 4.893 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1OC1CCCC1 185205299 ISHGBIBLGRBGIM-CQSZACIVSA-N 287.403 4.549 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(F)c1 215122834 YHOBKSLRMHFQMW-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCC[C@H](Cc1nccn1CCC)NCCC 228647709 ZULUSFZNSKGROE-QGZVFWFLSA-N 293.499 4.564 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCC[C@@H](C)C1 228784958 SXZIKJDFFVMGHF-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CC(C)CCN(CCCCCCS)CCC(C)C 232553708 OWRDVFYIJPKSHZ-UHFFFAOYSA-N 273.530 4.871 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)C1 232718694 MJKSVMYMPAOODW-ZIAGYGMSSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cccc(OC)c1 233124817 PKAOTENRCQDPHH-SFHVURJKSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(OC)CCCCCC1 233600651 YJXALIHWYALSMD-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCc1cccc(C=Nc2c(C)cc(C)cc2C)c1O 252628726 SWIVFSRMIDZNKL-UHFFFAOYSA-N 279.383 4.797 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CC)CC[C@H]1CNCCC 253309882 TWCKVAPSBJQRBX-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE CCCOc1ccc(C=Nc2ccc(C)cc2)cc1 263603188 NFNBCECWJFHKQU-UHFFFAOYSA-N 253.345 4.534 30 10 CJEE CO[C@@H]1CCCC[C@@H]1C1(C#N)CCC(C(C)(C)C)CC1 312888958 AOSOOYBXPMCGBX-BNQMIIOLSA-N 277.452 4.938 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(n1)CCCC2 313012669 CDMCTUGJQDGYCK-SFHVURJKSA-N 275.436 4.744 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cccc(Cl)c1Cl 316702828 CDKONMGGFAFNLG-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 317687551 IUPQEROVCAZQOW-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCCC[C@H]2O)CC1 328152941 DZNTXSUVZBMCNI-JBCIKUTRSA-N 277.452 4.674 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(OC)cc1F 380640314 WIDOPJCITPMYIK-CQSZACIVSA-N 279.399 4.621 30 10 CJEE CCCCCCCC[C@H](CC1CCC(C)CC1)NN 382357196 LHMHKEWLUAEMHD-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCCCC23CCCC3)C1 383933843 VYZDEZXTWXGKIL-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE O=C(C1=CCCCCC1)c1ccc2sccc2c1 386113188 BALJRLMYAOQLKS-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CCCCCCCCCCNC[C@@](C)(OC)C1CC1 388885502 DYPBFXBSGPUAKC-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=CCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 396445281 CWODBPDSGYOLCJ-VIFPVBQESA-N 264.583 4.613 30 10 CJEE CC1(C)CCC(CNC[C@@H](C#N)C2CCCCC2)CC1 397133248 AHILNUPSTJSAAQ-QGZVFWFLSA-N 276.468 4.512 30 10 CJEE C#CCCCCCOc1cc(C)ccc1C(C)(C)C 686674117 YRWMBJAGQQABJF-UHFFFAOYSA-N 258.405 4.865 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(C(F)F)c1 692235013 NWWSHPNXVKBWFO-HOCLYGCPSA-N 279.374 4.849 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@H]2C[C@H]3C[C@H]3C2)C1 698021181 HGILGNSNGZTAEZ-QDMKHBRRSA-N 262.437 4.844 30 10 CJEE CCCCCCCCCCNC[C@@H](C)C(F)(F)F 700154500 GQAHAGPDMGHNFJ-CYBMUJFWSA-N 267.379 4.915 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)cc1C 703955939 WBTCFEOPUYMPJR-INIZCTEOSA-N 259.437 4.946 30 10 CJEE Cc1cc(Cl)cc(N)c1Oc1cccc(Cl)c1C#N 706441845 MTHLLEACPRAHFT-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCC(CS)(CCC)CN1C2CCCC1CCC2 707149858 CUJPHIOAJLEKFY-UHFFFAOYSA-N 283.525 4.910 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714397583 SQWJUGDJJKTLHT-MANSERQUSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714408907 FWNRBHAEBPPJAK-FJIDUMEYSA-N 261.453 4.504 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)cc1 715008756 GAACTOFCSONFGG-WFASDCNBSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)ccc1OC(F)(F)F 715037021 BKOOVPZBIVQVLF-MRVPVSSYSA-N 279.689 4.615 30 10 CJEE C[C@H](N[C@H]1CCCCCC1(C)C)c1cccc(C#N)c1 718952570 ACFYVIBFFWHSSW-YOEHRIQHSA-N 270.420 4.568 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCC[C@@H]1C 719587373 ZVPMDCJVVNUHIU-JENIJYKNSA-N 288.431 4.625 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1(F)CCCC1 789719446 QFPOFLHCIZTLLN-UHFFFAOYSA-N 289.394 4.759 30 10 CJEE COc1cc(C)c(C=NNc2ccccc2C)cc1C(C)C 1083972606 OWXSCSMAXCJNOI-UHFFFAOYSA-N 296.414 4.881 30 10 CJEE C=CC1(CC(=O)Nc2ccc(Cl)cc2)CCCCC1 1124247366 UWAWPRZKKUQQFC-UHFFFAOYSA-N 277.795 4.805 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(C2=CCCC2)cc1 1131384738 DNYZBWPTFBXOEY-UHFFFAOYSA-N 283.415 4.729 30 10 CJEE C=CCCC[C@@H](NC(=O)c1c(C)coc1C)c1ccccc1 1132948605 DPNHESVFKGYETH-QGZVFWFLSA-N 297.398 4.724 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C2CCC(CCCC)CC2)C1 1146475512 PFKPCWIVCRYABG-LXPRWKDFSA-N 291.479 4.798 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C(C)(C)C)cc1 1197923480 LNZOQRLBEQBSEO-UHFFFAOYSA-N 288.435 4.850 30 10 CJEE C=CCCCCNCCCCc1cccc(C(F)(F)F)c1 1205471146 IVPLNZGVMJFUGK-UHFFFAOYSA-N 299.380 4.974 30 10 CJEE C=CCC1(C(=O)Nc2ccc(SC)cc2)CCCCC1 1264272523 WFDBDYVPOSXOME-UHFFFAOYSA-N 289.444 4.874 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C2CCCC2)c1 1280276201 ZXVXGQDLRNBPAJ-KDURUIRLSA-N 295.426 4.667 30 10 CJEE C=C[C@@H](C(=O)N[C@@H]1CCCC12CCCCC2)c1ccccc1 1300771025 XIEJDRXGHWFZHQ-QZTJIDSGSA-N 297.442 4.575 30 10 CJEE C#Cc1cccc(NC(=O)C[C@H](C)CCCCCC)c1 1352372038 TXQJQPDNLZZOEL-OAHLLOKOSA-N 271.404 4.603 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 1437969603 SCRPVPDSROESRF-OAHLLOKOSA-N 287.447 4.604 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 1438923473 WVLGZQIUBHJLAJ-MANSERQUSA-N 297.442 4.636 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](c1ccccc1)C(CC)CC 1444505670 IUCODGUJOYBUDS-SFHVURJKSA-N 287.447 4.882 30 10 CJEE C#Cc1cccc(N(CCCC2CC2)Cc2cccs2)c1 1459720981 CCUZVBMAJSSTRN-UHFFFAOYSA-N 295.451 4.926 30 10 CJEE C=CCn1cc2ccc(NC[C@H]3CCCC(C)(C)C3)cc2n1 1461782466 ZCCBIJCPCNLGAZ-HNNXBMFYSA-N 297.446 4.851 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccccc2C(C)C)C1 1473627731 NTFZACKIGVBZQU-INIZCTEOSA-N 257.421 4.598 30 10 CJEE C=CCCC1(CNC(=O)NCCC(C)(C)CC)CCCC1 1478967885 PBLIGDOMPZSCLL-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@H](C)CC(C)C)CCCC1(C)C 1519871330 UTVCZQIIOUWURR-CVEARBPZSA-N 279.468 4.652 30 10 CJEE C=CCN(C(=O)[C@H](CCC)CC(C)C)c1ccccc1 1524507664 AZYXURSUTRDNQT-MRXNPFEDSA-N 273.420 4.668 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(OCCCC)c1 1527903116 HWWRQPSBHYXXKK-UHFFFAOYSA-N 287.403 4.572 30 10 CJEE C=C[C@H](OC(=O)c1ccc(CSC)cc1)c1ccccc1 1538939091 RCKBBFNEPMMPKL-KRWDZBQOSA-N 298.407 4.634 30 10 CJEE C=CCCC[C@H](NCCc1ccccc1)c1ccccc1 1560109094 SRJPEUGBZFUXLK-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccccc2N2CCCCC2)C1 1560421325 GIYHEDNQOFFSGB-HKUYNNGSSA-N 298.474 4.511 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C1CCCC1 1597191309 QCLJOMMOIRIYRL-GOSISDBHSA-N 299.458 4.506 30 10 CJEE Fc1ccccc1C#Cc1cccc(Cl)c1Cl 1614841363 DWAZEKUKPKEPDQ-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(CSC)cc2)c1 1618528208 IXPHYSCTENBXDW-UHFFFAOYSA-N 297.423 4.835 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCSC1CCCCC1 1620414774 IPQMSDCQIYSHMW-NVXWUHKLSA-N 281.509 4.777 30 10 CJEE C=CC[C@H](C)N1CC[C@H](c2ccccc2)c2ccccc21 1620488340 WIVDIGIWJBAJLT-FUHWJXTLSA-N 277.411 4.993 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC[C@@H](C)CC1)c1ccccc1 1627212459 IFSDGFQJEOOQIC-MJGOQNOKSA-N 299.458 4.775 30 10 CJEE C=CCCN(C)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1627602673 BQRDNUJLUSVSRH-ZDUSSCGKSA-N 286.419 4.511 30 10 CJEE C=CCCC(C)(C)NC(=O)N[C@H]1CCC[C@H]1CCC(C)C 1631057116 RGKWSRFCKTZFGR-HOTGVXAUSA-N 294.483 4.635 30 10 CJEE C=CCCCCCCCCNc1ccc(C#N)c(C)n1 1642750171 UOYMPEJOOACCLU-UHFFFAOYSA-N 271.408 4.590 30 10 CJEE C=CCOCCN(CC(C)C)[C@@H](C)c1ccccc1Cl 1643073853 YJXILZNRLPKZHX-HNNXBMFYSA-N 295.854 4.562 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(C)(C)c2cccc(C)c2)C1 1648974293 YQDSGTKCUPTHIZ-SJLPKXTDSA-N 271.448 4.607 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2cccc(OC)c2)C1 1652471763 PPXIIYLOKZLOKC-SZMVWBNQSA-N 287.447 4.666 30 10 CJEE C[C@H](CCC#N)CNCC(C)(C)c1ccc2ccccc2c1 1652904563 HVQHHNXDEYIGGB-MRXNPFEDSA-N 294.442 4.647 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 1653225055 VWGLVLVQCRXEAV-KBPBESRZSA-N 283.802 4.925 30 10 CJEE C=C(C)CN[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1653588833 OVYIARYIAQZEQZ-SJORKVTESA-N 277.839 4.922 30 10 CJEE CC[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1C(C)(C)C#N 1654169078 HLIISKMNFHELQH-VQIMIIECSA-N 298.474 4.888 30 10 CJEE C=CCN(Cc1c(Cl)oc2ccccc12)C(C)(C)C 1654264176 CGOOTEWMPITKFL-UHFFFAOYSA-N 277.795 4.873 30 10 CJEE C#CCOc1ccc(CNc2ccc(CCCC)cc2)cc1 1655348449 GBXKZORGQBWOMN-UHFFFAOYSA-N 293.410 4.653 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(C)cc1Cl 1656906497 ORFVQDFVMNGPBT-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE C=CCSCCN[C@@H]1CCCC[C@@H](c2ccccc2)C1 1657145971 WJEHPGHRDWSYHJ-QZTJIDSGSA-N 289.488 4.612 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1F 1665524787 QRBLVYCDLLCMTM-JCGIZDLHSA-N 275.411 4.737 30 10 CJEE C[C@@H]1CCCC/C1=N\OCCOc1cccc2ccccc12 1860467341 JCKQLFNFPZRKIJ-UDJKBAMHSA-N 297.398 4.801 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cccc(Cl)c1F 1879650812 NRHXMXUMTVYOCJ-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE CCCC(CCC)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1882178464 WJAWXPJIQZIECW-KBPBESRZSA-N 266.234 4.685 30 10 CJEE N#CC1(CCCOCc2ccccc2)CCC2(CC1)CC2 1884473528 FPKYIFFHBXBJBL-UHFFFAOYSA-N 283.415 4.848 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(-c2ccccc2)cc1 1886385602 SQYSKHPEXZNWDI-SFHVURJKSA-N 252.357 4.743 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CC12CC(F)(F)C2 1887968481 DXBSEKJWUFPGDI-INIZCTEOSA-N 291.385 4.500 30 10 CJEE C=C(c1ccccc1)[C@]1(O)CCCC[C@@H]1C(C)(C)C 1888705367 KANIIOKSAOPGDB-SJLPKXTDSA-N 258.405 4.667 30 10 CJEE C(#CC1CCCCC1)CNc1ccccc1C1CC1 1893212536 WVCDBQKICAECNY-UHFFFAOYSA-N 253.389 4.560 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N[C@@H]1CCC2(CCCCC2)C1 1915885917 ORHXAFRCAGHYBY-GVDBMIGSSA-N 274.452 4.551 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc2cnccc2c1 1919873727 YTLITOCXPWTKLI-SFHVURJKSA-N 271.404 4.803 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(SC)c2)C1 1921030976 DVMGLFWJYGXZAS-XOKHGSTOSA-N 289.444 4.552 30 10 CJEE 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4.524 30 10 CJEE CCc1ccc(C#N)c(Nc2ccsc2Cl)c1 2015035995 PEUUFBKLGJRIQU-UHFFFAOYSA-N 262.765 4.579 30 10 CJEE CCCCCCCCC[C@H](N)CCOCCCC 2033731297 SPMXGCJKTKVMFG-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@@H](F)C1 2034885807 KGHLIEWKFDLSTP-OAGGEKHMSA-N 257.437 4.983 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(C(F)F)c1 2037105336 ZKMKAISKBMOUDY-AWEZNQCLSA-N 253.336 4.761 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(C)C[C@@H]1C(F)(F)F 2039184346 LMWKSUZJJYFVJF-AVGNSLFASA-N 265.363 4.653 30 10 CJEE O=C(C=Cc1ccc(-c2ccccc2)cc1)c1cccnc1 2040454943 KOZQYIUTVUCUDO-UHFFFAOYSA-N 285.346 4.645 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1cc2sccc2s1 2040845972 LZEWFWGVSKHWNM-NEPJUHHUSA-N 277.458 4.970 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1cscc1C(F)F 2045225920 UOPFRAYZDSKCOC-UHFFFAOYSA-N 278.270 4.614 30 10 CJEE C=CC1(C[C@@H](O)c2cc(C(F)(F)F)cs2)CCC1 2049036757 ZUWLWZCQOFCJAG-SNVBAGLBSA-N 276.323 4.547 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1csc(Cl)c1 2053395620 ZBJYVRXLPSPGGA-JSGCOSHPSA-N 283.824 4.545 30 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30 10 CJEE CCCC1CCC([C@H](N)CC=CC#CC(C)(C)C)CC1 2284110142 BWENIZPGOVHHLN-DAWZGUTISA-N 275.480 4.916 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2COC3(CCC3)C2)CC1 2284763334 CJIOEGHRISHUCJ-AQFXKWCLSA-N 275.436 4.836 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1COC2(CCC2)C1 2284852650 HTSQQWBTZBMVNV-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCS[C@@H]1CCc2ccccc2[C@@H]1NCCC 2287065799 QWXCUHWXZIHIRJ-MSOLQXFVSA-N 289.488 4.742 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1c(C)nn(CC)c1Cl 2287383232 DTMQOEOXVOMAHM-AWEZNQCLSA-N 297.874 4.652 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(OC(F)(F)F)c1 2287408943 OFGPRIYGXIXCCG-AWEZNQCLSA-N 287.325 4.722 30 10 CJEE CCCN[C@@]1(C#N)CCCC[C@H]1CCSCCC(C)C 2288874346 MIBKBOPSYPFOHK-DLBZAZTESA-N 296.524 4.608 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1ccc(C(C)(C)C)s1 2289618122 OXDBRGBXKLWDLF-HNNXBMFYSA-N 289.488 4.890 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@H]1CC=CCC1 2291574050 SOZVPJGPCHHUHC-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)CCC=C1C 2291578638 IVLZJMKNSPICME-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCC2(CC2)C1 2291584487 LVVPYJXXFMFABT-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)C1CCC1)OCC(=O)O 2291727411 MFRQWUDNGZFZTR-GDBMZVCRSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)C1(CC)CCC1 2291755257 SOCOPIKGOYFZQO-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](CC)(OCCCN)[C@H]1C[C@H]1C 2292766991 IRUFAZWRZASVML-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CC(C)(C)C[C@@H]1C 2292804591 RHIYKXNEKIQBOJ-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCCC=C1C 2293411837 WTDPZTUVDRCUPL-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](OCCCN)C1=CCCCCC1 2293710160 ZOTDZBOFISPRMA-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=C([C@@H](Cc1ccc(Cl)c(F)c1)NCCC)C(C)(C)C 2295295459 AWCWNTJUPNRZJM-MRXNPFEDSA-N 297.845 4.992 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CC[C@@H]1C(C)C 2295527872 WHDBJNBGDQKPQU-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cc(C)nn1CC 2295592067 MUOVLDQMCRKNSC-QGZVFWFLSA-N 280.456 4.560 30 10 CJEE CCCCCCCCC[C@@](C)(O[C@H]1CC1(C)C)C(=O)O 2295596616 MDDAUAAHQVJGNX-WMLDXEAASA-N 284.440 4.786 30 10 CJEE C#CCC[C@](C)(CCCCCCCCC)OCCCN 2295675589 CXGJYTCJKFTDIE-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C[C@H](CC)OCCCCCCCCCCC(=O)OC 2296250422 IYVLNWOSOBLUQK-MRXNPFEDSA-N 284.440 4.652 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)sc1CNCCC 2298933178 OXTJFBICYDJYBI-SNVBAGLBSA-N 289.897 4.958 30 10 CJEE C[C@H]1CC[C@H](CSCC2(C#N)CCCC2)CC1 2299030027 HCCBYUPLPNIEOH-HDJSIYSDSA-N 251.439 4.630 30 10 CJEE C=CCC(CC=C)Nc1cc(F)cc(Br)c1C 2301018694 CVZFAWDLNFBRLA-UHFFFAOYSA-N 298.199 4.829 30 10 CJEE C=CCC(CC=C)C(=O)c1cscc1C(F)F 2301059878 IBTWADOFFRPDGN-UHFFFAOYSA-N 256.317 4.637 30 10 CJEE C[C@H](CCSC[C@@](C)(CS)C(C)(C)C)C(F)F 2307233581 HVJHBQCLMYELHL-ZWNOBZJWSA-N 284.481 4.993 30 10 CJEE C=C[C@H](C)CCN(C)CC=C(C)CCCC(C)C 2316518240 GTGFNOBCYUPHFX-INIZCTEOSA-N 251.458 4.903 30 10 CJEE C=C(C)C[C@@H](CC[C@H]1CCCC1(F)F)NCCC 2319286066 FYWLGEPCPOBAPI-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=C(C)C[C@@H](C[C@H]1CCCC(C)(C)C1)NCCC 2319297781 UAILCHJNLIFTRX-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2320314804 LIXJRWJEJNYAAR-WBTNSWJXSA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cscc1F 2321095321 HWFOGIGISMTISM-GJZGRUSLSA-N 269.429 4.920 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1c(Cl)cccc1Cl 2321227075 BBROMCDTEBPYAG-GJZGRUSLSA-N 287.230 4.889 30 10 CJEE CCCCCCCCC[C@@H]1CNC[C@@H](C(F)F)C1 2328334947 OTGGYCKCCJGFSL-KBPBESRZSA-N 261.400 4.618 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2332426200 HUIYFRHFSMXCIP-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCC2(F)F)NCC)CC1 2335414199 YOFFULBECNVQHC-HUUCEWRRSA-N 271.395 4.536 30 10 CJEE C=CCCC[C@H](C)Nc1ncc(C)cc1C(F)(F)F 2338014053 WZSARBPKAOJYRT-NSHDSACASA-N 272.314 4.566 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC=C(C)CC 2338531333 YOVVIYKUUFEOCW-DLBZAZTESA-N 269.473 4.562 30 10 CJEE C=C[C@@](N)(CC(C)(C)Cc1ccccc1)C(C)(C)C 2339397197 QEOMTLDQTZDWJV-GOSISDBHSA-N 259.437 4.575 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(OC)c(Cl)s1 2340337758 PGQDTSCYSFSCHN-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE C=C([C@H](NCC)c1ccc(C)cc1SC)[Si](C)(C)C 2342390862 IREONNQMTNFGRY-INIZCTEOSA-N 293.552 4.801 30 10 CJEE C=C(C)C[C@H](O)C[C@@H](c1ccccc1)C1CCCC1 2342554496 KNNINWJYNRLTIV-ROUUACIJSA-N 258.405 4.678 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1C[C@H]2CC[C@@H]2C1)NCC 2344341283 ALEGZFXABUHFPK-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2344345089 LLVKXPQABGLTJA-DZVNLGKHSA-N 261.453 4.689 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)c(C)cc1OC 2344463435 FKYSXWORAZCDLW-CVEARBPZSA-N 282.811 4.683 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(F)ncc1C 2352410243 FWDAVFKXHWWAEW-OAHLLOKOSA-N 266.404 4.540 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC[C@@H]1C1CCCCC1 2353830719 FGSPEZOLKGYFLG-NVXWUHKLSA-N 283.525 4.623 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC 2357492369 QGJNLTZCRZKVGX-QRVBRYPASA-N 269.432 4.648 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358666143 VNVKBEQZAXRQDA-JONQDZQNSA-N 285.422 4.912 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C1CC1)OCCN 2360059825 FPGMVFMXNXXWOB-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)SCc1nccc(NCCC)c1C 2360202091 KQKUIXSIQOVLKS-UHFFFAOYSA-N 290.476 4.966 30 10 CJEE Cc1ccc(Oc2ccccc2C#N)c(C(C)(C)C)c1 21045281 LDFUUDHYCOZCQU-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1ccc(Cl)s1 37089240 QHYVQEVDJASAFA-SECBINFHSA-N 294.782 4.894 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccccc2C)c(C)c1 37937916 ZFAFSWRYTBBTBD-QGZVFWFLSA-N 264.372 4.597 30 10 CJEE N#C[C@@H](CCOc1ccccc1Cl)c1cccc(F)c1 57688868 OSEDCFMZCFNXSJ-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCCCCCCNc1cc(Cl)ccc1OC 59088904 KOMXUABVNTZHOE-UHFFFAOYSA-N 255.789 4.731 30 10 CJEE Cc1ccc(C(C)C)c(OCc2ncc(CS)s2)c1 82417405 JTMYXFGXXIADPC-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE CCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)cc1C 83193682 TZMMYIZDFMVVDK-ZHACJKMWSA-N 294.394 4.907 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(C)cc(C)c2)C1 87973053 GGNZQOSAPCCIBL-AEFFLSMTSA-N 255.405 4.956 30 10 CJEE CC[C@@H](C)CN(CC)CC1(CS)CCCCCC1 94582029 GZHBCFRILOJCBT-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE CCC(CC)(CS)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 94583999 HVPIZWRAFDPOGY-ZIAGYGMSSA-N 272.498 4.954 30 10 CJEE C=C(CC)C[C@H](NC)C(CC)(CC)c1ccccc1 97208736 UKCBWHFYQYIXQQ-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE C=C(CC)C[C@H](CSc1ccc(C)cc1)NCCC 97333188 TWUBFKSORWDJTG-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE CCCCCCCCOc1ccc(OCCS)cc1 100313685 YRHAFPHWTNCZKQ-UHFFFAOYSA-N 282.449 4.735 30 10 CJEE CCCCCCCC[C@H](NCC)c1cccc(C)n1 104146877 MYXFQCCGJHGDHB-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(Br)s1 107596918 NXHBLYKPZWZUGO-VHSXEESVSA-N 271.223 4.664 30 10 CJEE CN(Cc1c(Cl)cccc1Cl)c1cccc(C#N)c1 110247721 WZOYPKHZSAMHOG-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1ccc(Oc2ccc(Cl)cc2C#N)c(Cl)c1 110263108 DSRRZHCINQQWMV-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](NCC)c1ccccc1OC 110446468 MUHDSIQNXATHOD-INIZCTEOSA-N 263.425 4.706 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OCCC)cc1 113746101 YNKZQKCRIHFYON-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(C)ccc1C 115066128 QCCOKOGOKXWFCD-GOSISDBHSA-N 262.437 4.957 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)N1CCCCC1 118146944 OCUDLLKBOKKYAB-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@H](CC12CC3CC(CC(C3)C1)C2)NN 122324650 JWKKAMPUALMUJC-GSBYPIHSSA-N 292.511 4.785 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CCCO1 123561466 MYYXBZKWSWYQLT-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CCSc1cccc(N[C@H]2CCCC[C@H]2C)c1C#N 126992465 ZKHDOFWFHPYUPM-OCCSQVGLSA-N 274.433 4.661 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 128040148 POKKNQPXPPCDCY-NXEZZACHSA-N 258.192 4.609 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 131475837 GBLZISKGINVWSV-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CC(C)(C)c1ccccc1C(=O)[C@H](C#N)c1cccs1 132710393 DEGMUSTYOZDGJX-CYBMUJFWSA-N 283.396 4.536 30 10 CJEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1cccc(Cl)c1 134662282 LZXRQZYDPGGMFG-QWRGUYRKSA-N 290.819 4.685 30 10 CJEE CCCCCCC[C@H](CCc1cccnc1)NCCC 139671112 PQBOJKJGDRXAAF-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCCCO[C@@](C)(CC)C(=O)O 146484580 CQVPUFLMMVYMSI-INIZCTEOSA-N 272.429 4.787 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 156191304 KLWIUOGBPOADMF-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE CCCCCCCCNc1ccc(N)c2cnccc12 159128643 WGFQJBZGHFJPQM-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCCCC(=O)Cc1c(Cl)c(C)nn1CC 166968259 VUTZIDCAOAKKHV-UHFFFAOYSA-N 298.858 4.727 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 219704144 QKTKFCYCSJHCLM-BZUAXINKSA-N 251.458 4.641 30 10 CJEE C=CCCC[C@H]1C[C@@H](CCC)CC[C@H]1CNCC 227525253 WHSYNAKILFICQV-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(CC)cn1)NC 228716094 QQZSMPFUXCWMIO-GOSISDBHSA-N 290.495 4.915 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(F)c1Cl 229754797 LOHJQJOTKHCXPR-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE O=C1C=C(c2cc3cc(Cl)ccc3o2)CCCC1 230164351 PZDINQXEPQKDNX-UHFFFAOYSA-N 260.720 4.613 30 10 CJEE CCCCCCCCNC1=NC[C@@H](C(CC)CC)S1 230573476 UXJJZFZLHNYIAJ-HNNXBMFYSA-N 284.513 4.844 30 10 CJEE CCCC(CS)(CCC)COc1ccc(C#N)cc1F 232360920 QYMZJWAVROAYNT-UHFFFAOYSA-N 295.423 4.593 30 10 CJEE Cc1cc(N(CCC(C)C)CCC(C)C)ccc1C#N 232552822 BFJSNTFERCVZDE-UHFFFAOYSA-N 272.436 4.765 30 10 CJEE CCCCCCCCCCN[C@H](C)c1nccnc1C 232914839 AOBILPHXRIPVBW-OAHLLOKOSA-N 277.456 4.576 30 10 CJEE CCCCCCCCCC[C@](F)(CCCN)COC 232928191 HWDBAGGWLFXBID-INIZCTEOSA-N 275.452 4.611 30 10 CJEE C=CCCCCCC(=O)c1cc(Cl)ccc1OC 234863178 IPQOUFUUVKZNNL-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE Cc1cccc(N[C@@H](C)Cc2ccc(Cl)cc2)c1C#N 235126702 ROLRZYWPIRXFCJ-ZDUSSCGKSA-N 284.790 4.563 30 10 CJEE Cc1cccc(Cl)c1NCCCCC(C)(C)C#N 235792623 CFJJXYNPGYGMEB-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE O=C(Cc1ccc(Cl)cc1)C1=CCCCCCC1 236049331 DWOZMSQGGOHWIE-UHFFFAOYSA-N 262.780 4.732 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@H]1CCC 250815029 IWMDLQROJOZALH-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 252197179 VROAWMIRGBVNBE-UEKVPHQBSA-N 297.229 4.536 30 10 CJEE C=CCOc1ccc(C=Nc2ccc(Cl)cc2)cc1 252603753 FTOHGIBHNJQONY-UHFFFAOYSA-N 271.747 4.655 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cccc3c2CCCC3=NO)C1 252677047 RXMVETLINCKFTO-KBPBESRZSA-N 287.403 4.549 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](O)([C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252824077 SCHBMWLVACHVNI-HRAJDOBDSA-N 289.463 4.674 30 10 CJEE N#CC[C@@H]1CCc2cccc(F)c2C12CCCCC2 260528263 IXGWRNIPERPSGD-AWEZNQCLSA-N 257.352 4.504 30 10 CJEE N#CCc1ccc(NCC2CCCCCCC2)cc1 311278687 QIRSOPLRDVLMIZ-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE CC(C)(C)C#CC[C@@H](O)c1cc2ccc(F)cc2s1 311359578 ZYANNMZZXLPUND-CYBMUJFWSA-N 276.376 4.513 30 10 CJEE C=CCC(C)(C)CNCc1cccc2ccccc12 311773508 XKKSVJOBGSZGBN-UHFFFAOYSA-N 253.389 4.532 30 10 CJEE Cc1cc(Oc2ccc(C#N)c(Cl)c2)c(Cl)cc1N 312078326 RLTNUSRDPRZEGH-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(C)n(C)n1 312176111 WJKHIAJLNHMZIL-INIZCTEOSA-N 279.472 4.520 30 10 CJEE CC(C)C(O)(C(C)C)C1(C#N)CCC(C(C)(C)C)CC1 312223194 BOLDPKXTRGTLBQ-UHFFFAOYSA-N 279.468 4.776 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CCSc2ccccc2)C1 317456021 UNFSEILCNUXFOA-ZBFHGGJFSA-N 262.418 4.564 30 10 CJEE O=CC1(Cc2ccc(F)c(Cl)c2)CCCCCCC1 317663511 DPIXTVUPWGNXEP-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(CSC)c1 327723529 FKRJBVACNOOQIW-MRXNPFEDSA-N 266.450 4.944 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H](C)CC(C)(C)C1 380629807 CPEVMWHYGMLUBR-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE Cc1cc([C@@]2(C#N)CCCC[C@H]2C)nc2ccccc12 384885416 RZXHWVQRTHJOFQ-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(OC2CCC2)c1 385025612 JEKVFJRKTKSRQD-UHFFFAOYSA-N 270.372 4.691 30 10 CJEE CC1CCC(C#N)(Cc2csc(Cl)c2)CC1 393919506 CRJCHHOIMSTVFO-UHFFFAOYSA-N 253.798 4.664 30 10 CJEE CCCC[C@@H](CC)CNC[C@@H](C#N)C1CCCCC1 397297713 OWBODEJLAPEDLY-NVXWUHKLSA-N 264.457 4.512 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H](CC)CC(F)(F)F)C1 402427843 FKICXZNVRHKAPP-JHJVBQTASA-N 264.331 4.751 30 10 CJEE 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274.383 4.714 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@H]1CC2CCC1CC2 691673976 NBXZOZRJDUFCCN-GPQLOAJWSA-N 263.469 4.641 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cccc(C(F)(F)F)n1 692253198 PUCQTWTZVVIWQZ-RYUDHWBXSA-N 284.325 4.647 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H](N)C1 696046856 LJKZOIOIMOPFJF-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCCOC2CCCCC2)C1 699945835 FYMANUUNGOYNII-RDJZCZTQSA-N 263.425 4.836 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccsc2C(F)(F)F)c1 704320121 YXXYKVUBKUQXPF-GFCCVEGCSA-N 296.317 4.752 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 705954516 PVELWWLKKLSLGL-YXJHDRRASA-N 270.420 4.739 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](N)c1ccccc1F 708927688 XVSFFWITKKWADZ-RHSMWYFYSA-N 281.415 4.591 30 10 CJEE C[C@H](N(C)c1ccc(C#N)c(Cl)c1)[C@]12CCCC[C@@H]1C2 709269996 UGFAKWHCRBOYEF-DXCKQFNASA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)cc(Cl)c1 710640234 YGWHWOPDJWBQNO-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C[C@@H](C[C@]1(C=O)CCCc2ccccc21)C(C)(C)C 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268.187 4.866 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2ccc(Cl)cc2)CC1 91877696 VVFDZGRWVXLPMX-BLDCVEFLSA-N 291.822 4.658 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCC[C@@H](C)CC2)CC1 91903244 GLITZFSHRZIPDI-CPFNUKBASA-N 277.452 4.674 30 10 CJEE CC[C@H](CS)COc1ccc(C(C)(C)CC)cc1 94582851 ZOOXZBRWETVPTF-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE Fc1ccccc1SC[C@H](CS)c1ccccc1 94588790 AMMUGLNRQJVGTC-ZDUSSCGKSA-N 278.417 4.631 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(Cl)ccc2C#N)cc1F 94837038 JFLTUQZXMXJHGW-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc2cccnc12 97284038 KCRPNIGDUUSWTO-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCN(CCCCCCCCCS)CC(C)C 97799203 SCXXEZVMEMLBKC-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE CCCCOc1ccc(C(=O)/C=C\Nc2ccccc2)cc1 103029099 VZOHGHIVHDSUIE-YPKPFQOOSA-N 295.382 4.674 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccc(C)c(C)c1 110083905 MLTMAOZNNJKVDY-IBGZPJMESA-N 291.479 4.941 30 10 CJEE CCCCCCCCCCn1nc(N)c2ccccc21 110163577 LGVLSFNKIMRLSM-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCCCCCCCCN(C)c1ccc(C#N)cc1 110247584 FFRZKLKSMBBBBZ-UHFFFAOYSA-N 258.409 4.745 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]1c1ccccc1 110449041 URCMQLJOTOFDOA-QZTJIDSGSA-N 259.437 4.883 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ccncn1 112184763 GQIYZHJGVIMZBV-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OCC)cc1 115062477 HQRSOYGGVXTCTF-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](N)CSc1ccccc1C 117436341 MEJSTPRKPLTXCO-OAHLLOKOSA-N 265.466 4.775 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C(C)(C)OC 118444618 ZGWCPEMVOBRGRT-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCOCC[C@H]1CCC[C@@H]1NCC 118779591 HNLUAVHFERSBIW-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC[C@@H](NCC(C)(C)C#N)c1ccc(Cl)cc1Cl 122298780 GKFMRJJPUYPWBB-CYBMUJFWSA-N 285.218 4.584 30 10 CJEE CCCCCCCCCC[C@H](CCc1ccco1)NN 122644416 IDCPZNZTKHCFRT-MRXNPFEDSA-N 280.456 4.575 30 10 CJEE CC#CCC[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC 124748532 JIWXLCYOWFZATJ-WFRNDULYSA-N 287.491 4.765 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@@H](OC)C1 124849379 PRLUXXKKGJPDBG-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1c(F)cc(C#N)cc1F 127462958 SCZCPJKYIIWBMT-AXAPSJFSSA-N 293.357 4.676 30 10 CJEE CCCCCCCCCCC(=O)C1C[C@@H]2CC[C@H](C1)N2C 129007366 JYMHSCDFDQILSS-AYHJJNSGSA-N 293.495 4.959 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](OC)C(C)(C)C 130908427 LADQAJWWAYULII-JKSUJKDBSA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@H](NC)c1snnc1C(C)(C)C 140424426 GCGZLCDOQINKSI-ZDUSSCGKSA-N 297.512 4.847 30 10 CJEE CCCCCCCC[C@@H](NC)c1snnc1C(C)(C)C 140424590 GCGZLCDOQINKSI-CYBMUJFWSA-N 297.512 4.847 30 10 CJEE C[C@H](NC[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl 141299269 UAZFDGQABWMENQ-QWRGUYRKSA-N 299.245 4.830 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(F)c1 148780864 WDFATFCNGXVLSE-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE CCCCCCCCNC1=N[C@]2(CCC[C@H](C)C2)CS1 159403989 LYOFSZZNIGFTSN-RDJZCZTQSA-N 296.524 4.988 30 10 CJEE CCCCCCCCN[C@H](C)c1nc(C)sc1C 160803538 ZHQWZBLXODYFDJ-GFCCVEGCSA-N 268.470 4.771 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(N)cc1F 165412925 PIKFEKMOPYZXEY-HXUWFJFHSA-N 299.455 4.656 30 10 CJEE N#Cc1cc(NCc2cccc(Cl)c2F)ccc1Cl 166709830 DJFMCGICBLGVQF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(OC(F)(F)F)cc1 167771969 YHGXVALNDIJKOF-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C1CC1 189883808 UJPPSDQJXMFHKZ-CYBMUJFWSA-N 271.404 4.523 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)c(C#N)c1 218181030 VSHNQPSFIODOIN-NUTKFTJISA-N 274.383 4.570 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2ccccc2C)C1 222792279 PAIDZCDOTGIQIT-LMMKCTJWSA-N 284.447 4.535 30 10 CJEE C=CCCC[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 227671029 AYGWABXMUZZTRC-NNCLKIPCSA-N 262.437 4.700 30 10 CJEE C#CCCCCNC(CCCCC)CCCCC 229644596 XRMSSSNZYIOSGU-UHFFFAOYSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCCc2cccnc21 229780450 GBURBVJLJMCWKD-QZTJIDSGSA-N 288.479 4.970 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CCc2cccnc21 229822055 BSOHKLUSHKJOLW-MSOLQXFVSA-N 288.479 4.840 30 10 CJEE CCCCCCCCNC1=N[C@H]2CCCC[C@@H]2CS1 231344153 PSSGQVFFMILRLS-CABCVRRESA-N 282.497 4.598 30 10 CJEE C=CCSCCN[C@H](c1ccccc1)C1CCCCC1 231932174 GRLRXMMMDWGJRC-GOSISDBHSA-N 289.488 4.817 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](O)c1ccccc1 232918136 KQFNQINSDPANOH-ROUUACIJSA-N 278.436 4.612 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232925518 VSLJQMKGYIFSNK-XGUBFFRZSA-N 289.554 4.561 30 10 CJEE C=CCCCCCOc1ccc(F)cc1[C@H](C)NCC 233522229 PYFRRYSYPKQTFJ-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE CC[C@H](CS)CSCc1ccccc1Cl 234044643 OFVLXBUOZHTVLM-SNVBAGLBSA-N 260.855 4.529 30 10 CJEE CCCCCCCCN1C[C@@](C)(C2CC2)NC[C@H]1CCC 250840127 XJNNQBVCKVNASE-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE C[C@@H](CCS)CCN(C)[C@H](C)c1cccc(Cl)c1 251225866 PFPAGKQJGJGMMP-CHWSQXEVSA-N 285.884 4.679 30 10 CJEE CCCN(CCC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252436413 OXXVUDPNHNSHDT-GVDBMIGSSA-N 278.484 4.853 30 10 CJEE Cc1cc(C)cc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 252461868 NSTFQWUEBASYHO-UHFFFAOYSA-N 288.734 4.616 30 10 CJEE CC(C)c1ccc(C=Nc2ccc(F)c(F)c2F)cc1 254488462 TYIBBKQQRCWJNJ-UHFFFAOYSA-N 277.289 4.978 30 10 CJEE CCCCCCCCC[C@H]1CC[C@](C)(CNC2CC2)O1 312413889 QOEDOMTZYISNMB-ZWKOTPCHSA-N 281.484 4.817 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(C)ccc1Cl 313426956 ZSAIQUZFNWXNRJ-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)[C@H]1C[C@H]1C 321948613 WKFIOZGOPGYPAP-HZSPNIEDSA-N 261.434 4.811 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)cc2Cl)c(N)c1 322806966 UHKZSYOIBCVEAH-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C1CCCC(/N=C2/N[C@H](C3CCCCC3)CS2)CCC1 385958936 FATZMSLWMLAYGJ-INIZCTEOSA-N 294.508 4.741 30 10 CJEE CCC1CCC(/N=C2/N[C@@H](C3CCCCC3)CS2)CC1 385994072 BJEVVXSUOVQPRT-AVVWSFFYSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@H](CCOC(C)C)NC 395420524 WTILUMOFPLOSDZ-INIZCTEOSA-N 257.462 4.530 30 10 CJEE Cc1ccc([C@@H](C)N(C)CC2(CS)CCCC2)s1 395750780 OCAOLKRXBOCEDR-CYBMUJFWSA-N 283.506 4.540 30 10 CJEE CCCCCCCCCCCCSC1=NC[C@@H](C)N1 396034593 OHLXIJGSNJPEPV-OAHLLOKOSA-N 284.513 4.988 30 10 CJEE CC(C)(C)[C@@H](C#N)CSCc1ccc(Cl)cc1 397511366 MMHMIHHBKFTTQV-LBPRGKRZSA-N 267.825 4.759 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@@H](C)C[C@H]1CC 399794920 RUDBBAYHKPHXBF-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCC1CCC(C#N)(CCC[C@H]2CCOC2)CC1 401018667 VYKGLAPVWQKRFT-CGZBRXJRSA-N 263.425 4.693 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC 402129731 FJZLRVUYKXPDHH-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 410347689 PJQSOCNYZHFUJC-HNNXBMFYSA-N 271.404 4.570 30 10 CJEE CCc1cc(C(F)(F)F)cc(OC(F)F)c1C(F)F 575654871 YGCJVUYMCLUOIX-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(C#N)NC1CCCCCC1 691092841 ZWBDAKUVGILPMR-ZWKOTPCHSA-N 276.468 4.797 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)C[C@@H](C#N)C1CCCCC1 691176385 DSPZUUXHOVJGDY-KBAYOESNSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCNCC1CC2(CCC2)C1 691951764 KGHPSSWJHBDJNO-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 692227741 SARRTDJKEMXVGB-QSUVVDIXSA-N 275.480 4.926 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCCC[C@@H]2C2CC2)c1 696140856 BDCRCZNOSOMVOK-HIFRSBDPSA-N 274.795 4.592 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(F)c3F)C[C@@H](C1)C2 697306109 DIPHUIORFAUCPY-FUNVUKJBSA-N 263.331 4.512 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3ccccc3F)C[C@@H](C1)C2 697312014 UWHWHULXEQRKFP-JZWPEALZSA-N 273.395 4.611 30 10 CJEE Cc1nc(N[C@@H]2CCCC(C)(C)CC2)c(Cl)cc1C#N 697561691 DRUIXGIELQQLOO-CYBMUJFWSA-N 291.826 4.686 30 10 CJEE CC1(C)CCN(c2cc(Cl)ccc2C#N)CC(C)(C)C1 699695294 HUXHKCXUFXCSDM-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE CCCCCCCCCC[C@H](O)C(F)(F)CC 701221889 NUGYTHYCLXKRSC-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE SC[C@@H](COc1ccc(Cl)c2ccccc12)C1CC1 702011394 TUYBBDYEOYWQDU-GFCCVEGCSA-N 292.831 4.828 30 10 CJEE C#C[C@@H](N[C@@H](C)c1sc2ccccc2c1C)C(C)(C)C 702254726 DUKAQZBYVVJLGY-XJKSGUPXSA-N 285.456 4.908 30 10 CJEE Cc1cccc(NCc2csc(C(F)(F)F)c2)c1C#N 703327573 SKIBKTAJCPAUHV-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2cc(F)c(C)cc21 709415917 ATQDGJUCTIXDJV-UHFFFAOYSA-N 292.423 4.765 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCCC2)CS1)C(C)(C)C 713284099 GCXMTJKSGUKFHE-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](C)[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715029769 ORKBOIFTISGYGX-MRAZXXJXSA-N 276.464 4.946 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C(F)(F)F)ccc1F 715752670 KIENXUDHSFOMAY-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)C[C@H](C)CO1 718424705 DMEUUBRVQYUSPO-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C1CCC(CNC2CCC(C(C)(C)C)CC2)CC1 724440796 JNEMBJKIVIZQQN-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)c2sccc2CC)CC1 724548406 ANGGZKPVMWPRJX-OAHLLOKOSA-N 263.450 4.708 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@]23CCCC[C@H]2C3)CC1 724616330 KXWHAWJOTHCMOA-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE CCC1CCC(/N=C2/N[C@@H](C3CCCC3)CCS2)CC1 725080543 MEXAKTGSDJTMLX-AVVWSFFYSA-N 294.508 4.597 30 10 CJEE C=CCC(F)(F)C(=O)Nc1ccc(-c2ccccc2)cc1 1124462471 YGSJSDNOYMTOPC-UHFFFAOYSA-N 287.309 4.504 30 10 CJEE C=C[C@@](C)(CC)C(=O)OC1CCC(C(C)(C)C)CC1 1124666008 BPBXLBXESBPFAM-KVULBXGLSA-N 266.425 4.737 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1coc2c(C)cccc12 1130905351 XZLYFGISJWRAFD-RHSMWYFYSA-N 297.398 4.606 30 10 CJEE C=CCN(CCCOc1ccc2ccccc2c1)C(C)C 1167227569 SZBFKSFEFDWFPF-UHFFFAOYSA-N 283.415 4.505 30 10 CJEE C=C(C)COc1cccc(NCc2cc(C)ccc2C)c1 1178059789 KLHRKRNMLXFBFJ-UHFFFAOYSA-N 281.399 4.870 30 10 CJEE C=CCC1(CNCc2cnc(C(C)(C)C)s2)CCCC1 1178709498 HADOFQDFHRMCPD-UHFFFAOYSA-N 292.492 4.667 30 10 CJEE C=C(C)c1cccc(NCc2ccc(-n3ccnc3)cc2)c1 1179747619 NJTSPXCLWRCUJJ-UHFFFAOYSA-N 289.382 4.518 30 10 CJEE C=CC(C)(C)NCc1ccc(-c2ccc(C)cc2)s1 1179759114 SKHORMAIRKCSEA-UHFFFAOYSA-N 271.429 4.778 30 10 CJEE C=CC[C@@H]1CCCN([C@H](C)c2nccc3ccccc23)C1 1182795457 BGONGUWTSNDCJY-HZPDHXFCSA-N 280.415 4.584 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(OC2CCCCC2)cc1 1265192874 OAFZQMUBPUPMJX-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=CC[C@H]1N(CCSC(C)(C)C)CCCC1(C)C 1307730031 SCITZODMAXKYBQ-CQSZACIVSA-N 269.498 4.585 30 10 CJEE C#CC[C@@H]1CCN(Cc2ccc(C(C)C)cc2C(C)C)C1 1308069636 VSCSQQQBFJKYFK-QGZVFWFLSA-N 283.459 4.779 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cccc(C(C)C)c1 1308135299 GARLIQZAPKSMBT-GOSISDBHSA-N 257.421 4.741 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(F)F)c(F)c1 1308462347 ORSDVHADPIDAPE-BBRMVZONSA-N 297.364 4.988 30 10 CJEE C#CCCCCCCNc1cc(Cl)cnc1OC(C)C 1308762838 JCDHBRZDHWOJRK-UHFFFAOYSA-N 294.826 4.518 30 10 CJEE C=CCCCCCCCNC(=O)N1C2CCCC1CCC2 1312825993 RPIHPTLHNSMYLS-UHFFFAOYSA-N 292.467 4.630 30 10 CJEE CC#CCCCC(=O)Nc1ccc(CCCCC)cc1 1347738473 OKGIPJUHRAQJAQ-UHFFFAOYSA-N 271.404 4.551 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)c1ccc(C(C)(C)C)cc1 1351298972 RZEBZIGMZWEWOZ-GOSISDBHSA-N 273.420 4.549 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(SC)c(Cl)c1 1435385777 NPPUZAXFGKIQMW-CQSZACIVSA-N 283.824 4.603 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCCC[C@@H]2CC)CCCC1 1437639869 PPLVPTDMCYPKET-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=CC1(CC(=O)N2Cc3ccccc3[C@@H]2C)CCCCC1 1438058361 CMBSQYRIDKMHST-HNNXBMFYSA-N 283.415 4.616 30 10 CJEE C=CCCCCCCCNC(=O)c1cscc1Cl 1460670640 AOOPSFAMANZCCX-UHFFFAOYSA-N 285.840 4.658 30 10 CJEE C=CCCC[C@H](C(=O)N(C)C1CC(C)(C)C1)c1ccccc1 1460766712 QSRRWQUZEIAVEE-SFHVURJKSA-N 299.458 4.774 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 1463067131 RFWQBKWFIDWDFB-NEWSRXKRSA-N 299.458 4.821 30 10 CJEE C=C(C)CN(CC)C(=O)/C=C(\CC)c1cccc(Cl)c1 1524202142 VGCJGFVWJXTYFO-SDNWHVSQSA-N 291.822 4.558 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cccc(-c2cccc(C)c2)c1 1524815505 PMVBUYJMHOXPIZ-IBGZPJMESA-N 293.410 4.747 30 10 CJEE C=CCCCCCCNC(=O)c1cc2ccccc2cc1F 1525487511 KXEDWPCKQQUVLQ-UHFFFAOYSA-N 299.389 4.845 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCC=CCCC1 1527549433 IQBLUHPDDTUZRY-QGZVFWFLSA-N 277.452 4.766 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@](C)(F)CCCC 1530115137 GQUXAOJVLONPPA-KRWDZBQOSA-N 277.383 4.662 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](CC)c1ccc(C)c(F)c1 1535606449 GKGFJKQFGRVIQL-DOTOQJQBSA-N 278.367 4.731 30 10 CJEE C=CCC[C@H](NC(=O)/C(C)=C\C(C)(C)C)c1ccccc1 1536283634 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273.203 4.643 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C)s1 2304024421 KPDIATRZTQCXPN-LSDHHAIUSA-N 251.439 4.700 30 10 CJEE C=CCC(CC=C)SCC1(CS)CC(C)(C)C1 2304520383 HZKXGTVXCLZDRP-UHFFFAOYSA-N 270.507 4.977 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ccc(F)cc1 2307089550 INPFLCBUGGAECA-CQSZACIVSA-N 272.454 4.900 30 10 CJEE C=CCC(CC=C)OC[C@@](C)(CS)C(C)(C)C 2307112226 KPLONKIDVHZZIP-HNNXBMFYSA-N 256.455 4.506 30 10 CJEE C=C(C)CC[C@H](C)NCc1c(F)ccc(C)c1Cl 2314020163 DKLZFRKYIKNAAW-LBPRGKRZSA-N 269.791 4.622 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(CCC)s1 2316106774 CSOWEMMZQQFWEB-HIFRSBDPSA-N 265.466 4.954 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1ccc(Cl)cc1Cl 2316747232 PAYKQKJYNHUSTG-OAHLLOKOSA-N 284.230 4.936 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc(CC)s1 2316785276 BZESAXSOZNVSNE-AWEZNQCLSA-N 263.450 4.545 30 10 CJEE C=C(C[C@H](NCC)c1ccc(Cl)c(Cl)c1C)OC 2316945037 MMFGDPWUDPDELK-ZDUSSCGKSA-N 288.218 4.503 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1CC[C@H]1C(C)(C)C 2320140673 COHYYLUOGXEVOE-BZUAXINKSA-N 252.442 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccccc1Cl 2321100390 AVUNOQKVGKXBDS-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE C=CC[C@H](C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 2321169912 ORNYBEPPRRRMCI-QJPTWQEYSA-N 262.315 4.527 30 10 CJEE CCCCCCCCC[C@@]1(F)[C@@H]2CCN[C@@H]2C1(C)C 2330937450 DVEDXQTVXMDDBA-HLLBOEOZSA-N 269.448 4.853 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334297464 CAAQXWPBZCAQSG-XMTFNYHQSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)SC[C@@H](NC)c1ccc(CCC)cc1 2335206801 NXJRNNSHCOTNCB-WMLDXEAASA-N 277.477 4.597 30 10 CJEE CC(C)(C)[C@H](CS)COc1cccc(C2CCC2)c1 2336353953 FFJNSBIKIZOGEP-HNNXBMFYSA-N 278.461 4.925 30 10 CJEE CCCN[C@H](C#CC1CCC1)C[C@@H](CC)C(C)(C)C 2337440115 UVVQXNXORGXFDU-IAGOWNOFSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1c(F)ccc(F)c1Cl 2338741604 OTRWRWBLQGURBL-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CCC[C@H]2C[C@H]12)NCC 2338743049 BJCWYDIXDUZZCC-XSLAGTTESA-N 261.453 4.559 30 10 CJEE CC(C)[C@@H](C)[C@@H](C)N(C)CC1(CS)CCCCCC1 2339891592 DKTPWXYSGLSWIS-HZPDHXFCSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCOC[C@@H](O)[C@@H]1CC1(C)C 2340942348 IIHAXYRCEHAHQF-JKSUJKDBSA-N 270.457 4.551 30 10 CJEE CC(C)=CCC[C@H](C)OCc1ccc(C)c(C#N)c1 2341728616 BEMUVMZGDAEUDG-HNNXBMFYSA-N 257.377 4.518 30 10 CJEE FC(F)(F)C(F)(F)CCCCC[C@@H]1CCC[C@@H]2O[C@@H]21 2342339404 DVDMCIFIDTXAMT-OUAUKWLOSA-N 286.284 4.702 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(C(F)(F)F)c1 2344340470 RSGHXZYYAXXQAH-ZDUSSCGKSA-N 271.326 4.568 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)[C@@H](CC1CC1)C1CC1 2344371315 JEEYSOZNSMOQRJ-IRXDYDNUSA-N 263.469 4.783 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353046988 BIFUAXRCKZMXRB-XHDPSFHLSA-N 296.241 4.754 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@]12CCC[C@@H]1C2)NN 2356019413 SPOAMAHMQSOXOU-FGTMMUONSA-N 280.500 4.929 30 10 CJEE N#C[C@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC(F)(F)C1 2356179271 HAKNABQSKJVBOR-RNJOBUHISA-N 289.316 4.777 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358321909 HQOJDKRFMOULKR-JONQDZQNSA-N 285.422 4.912 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)OCCN 2360106576 ZBYFTBHLQGWCCK-MHORFTMASA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)OC(=O)[C@H]1C[C@H]1C1CCCCCC1 2360212407 GOCGICUUZNSSFA-IRXDYDNUSA-N 276.420 4.657 30 10 CJEE Cc1ccc(-c2[nH]c3ccccc3c2CC#N)cc1C 19725578 SUHJFEIIEATDPF-UHFFFAOYSA-N 260.340 4.518 30 10 CJEE CC(C)[C@H](Nc1cccc(F)c1C#N)c1cccs1 35014082 ZBDWDCHPKAZNKU-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE CCc1c(C)nn([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1C 40732540 QABKCJWTFPZWFB-INMHGKMJSA-N 287.451 4.589 30 10 CJEE COc1ccccc1N[C@H](C#N)c1csc2ccccc12 54464763 RUQVXGSPJRTBMW-OAHLLOKOSA-N 294.379 4.587 30 10 CJEE Cc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(F)c1 62938212 QIMVMWLNVWGXGO-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccccc1Br 71276936 PGDLNEWUAQVCQA-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C[C@H](Nc1nccc(-c2ccccc2)c1C#N)c1ccccc1 76579072 MNQROHIKFKAFIT-HNNXBMFYSA-N 299.377 4.793 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 79341305 NGBHPDVBMMUGNH-BRSBDYLESA-N 290.495 4.853 30 10 CJEE CC1(C)CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 79623901 CFZDTPPZKXXJLE-UHFFFAOYSA-N 296.336 4.958 30 10 CJEE CCC[C@@H](CS)CSc1ccc(C)cc1C 87096224 FGXKZIURWRPNOD-ZDUSSCGKSA-N 254.464 4.742 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CCCOc2ccccc2)C1 87930302 OYVOWCYFZWNILZ-NVXWUHKLSA-N 257.377 4.566 30 10 CJEE C/C=C/c1ccccc1OC[C@@H](CS)c1ccccc1 94583900 GYMREEGEGJXIKU-FBFPYJBRSA-N 284.424 4.812 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(OCCCC)cc1 97220868 YLHXLYGZSIZTBX-SFHVURJKSA-N 275.436 4.872 30 10 CJEE O=C(/C=C\Nc1ccccc1)c1ccc(Cl)cc1Cl 101407301 CNDJAJQEJYRZTE-HJWRWDBZSA-N 292.165 4.802 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cccc(Br)c1C 107511192 WNGBAXSVACMJJM-VXGBXAGGSA-N 279.221 4.911 30 10 CJEE CCCOc1ccc(CCCC#N)cc1C(C)(C)C 107592434 HDBBFSJWSVERRE-UHFFFAOYSA-N 259.393 4.619 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccccn1 110462811 GJJSDIOIEMQANF-MRXNPFEDSA-N 262.441 4.873 30 10 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CJEE C=C1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 504659470 CDCQHKMEOJJEBD-PJBUMPDVSA-N 286.459 4.866 30 10 CJEE CCCCCCCCC[S@](=O)Cc1ccccc1 526849302 XBMTXIKDQQMZEW-SFHVURJKSA-N 266.450 4.686 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccccc1F 526856368 SBOLRUKAEXCKDG-LJQANCHMSA-N 284.440 4.825 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc2[nH]ccc12 558636402 DYJYZDKXCSXGRO-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc2ccn(C(F)F)c2c1 617989662 OYQOHSSSZOISTM-NSHDSACASA-N 292.329 4.577 30 10 CJEE CCCCCCCCC[C@]1(C=O)C[C@H](C)O[C@H]1C 686428185 BZLYYSDNLGPAHB-HRCADAONSA-N 254.414 4.510 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCC[C@H](CC)C1 686679878 TUHKYIAWFZLQCC-KSZLIROESA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 686693629 FKSPSNOFXUVZBC-MANSERQUSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@H](NCC)c1csc(C)c1C 686703583 JYQSBSWCFVGWNK-INIZCTEOSA-N 263.450 4.599 30 10 CJEE C=CCC1(NCc2c(C)oc3ccccc23)CCCC1 690704054 HRYDQYHSVJAXLF-UHFFFAOYSA-N 269.388 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297.442 4.528 30 10 CJEE C=CC1(CC(=O)N2CC[C@H](C3CCCC3)C2)CCCCC1 1585492888 HBRKWBVLBHQBGR-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(C(C)C)nc1C)c1ccccc1 1617548955 MNWGYCFPHMMXBT-GOSISDBHSA-N 295.382 4.598 30 10 CJEE C=C[C@H](C(=O)NCC1(C)CCC(C)(C)CC1)c1ccccc1 1638130086 XAXWHWDVTFIWPN-KRWDZBQOSA-N 299.458 4.679 30 10 CJEE C=C(CC)CSc1ncc(C(F)(F)F)cc1Cl 1651566466 QDZPZLJPCKWYMR-UHFFFAOYSA-N 281.730 4.812 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H](C)CC2CCCCC2)C1 1652790983 GVMXEHLRMAWLHH-SJLPKXTDSA-N 263.469 4.881 30 10 CJEE C=CCCN(OCc1ccccc1)[C@@H](C)c1cccc(F)c1 1654204300 RHZIPJXCTXXONX-INIZCTEOSA-N 299.389 4.897 30 10 CJEE C=CC[C@@H](NCC1CCC(C(C)C)CC1)c1ccncc1 1657237393 RMGDBKKIOYSUGF-FAFZWHIHSA-N 286.463 4.751 30 10 CJEE C=CCN(CC1CCCCC1)CC(C(C)C)C(C)C 1658569092 QORLWMHGOMZUFB-UHFFFAOYSA-N 265.485 4.983 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)c1cc(C)ccc1OC 1659414164 GSCOGLMFBYVXBT-CVEARBPZSA-N 275.436 4.789 30 10 CJEE C=C(Cl)CN1CCC[C@@]1(C)Cc1cccc2ccccc12 1659536268 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2240619304 DZNZUQZEBHBCJY-QGZVFWFLSA-N 282.399 4.792 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@@H]1CCC[C@@H]1C 2240640514 RAASPAOACOUSDY-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE CCC(CC)(CS)CN(C)Cc1ccc2occc2c1 2241116376 KQRMVWYOQPBWRD-UHFFFAOYSA-N 291.460 4.601 30 10 CJEE C=CCCCSc1c(C)sc(CNCC)c1C 2250065342 MQMZGCKPCWYLNM-UHFFFAOYSA-N 269.479 4.533 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC2(CSC)CCC2)C1 2251401966 RBENZZMSCHMFQI-UKRRQHHQSA-N 251.439 4.630 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@H](C(F)F)[C@@H]1C 2256100387 WWLKNYVXBVJBFC-MCIONIFRSA-N 261.400 4.616 30 10 CJEE CC[C@@](C)(C#N)CCCCCCCCCCCO 2258730185 JIPOGMBKRGGLAE-MRXNPFEDSA-N 253.430 4.820 30 10 CJEE C=CCCCCCCCSCc1ccc(C=O)o1 2259007150 KZIAYBAAMKCLQQ-UHFFFAOYSA-N 266.406 4.852 30 10 CJEE C#CCCCCCC(=O)c1ccc(C(F)(F)F)s1 2263302877 IDEJETNYJDLYIQ-UHFFFAOYSA-N 274.307 4.533 30 10 CJEE C=CCC[C@H](NCC)c1sc(C(F)(F)F)cc1C 2263434491 VLSPNKWOZUHQNY-JTQLQIEISA-N 277.355 4.692 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C)C(C)(C)O1 2263650674 VSDDHJOCWMZNAG-ZBFHGGJFSA-N 255.446 4.630 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@H]1C1CC1 2263714957 FTZLYEVTYZSTQN-BHYGNILZSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCCCCC(=O)Cc1cnsc1 2265436332 KUBGWCMUERNLIY-UHFFFAOYSA-N 279.449 4.952 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(CCC)cc2)CC1 2268214599 NKMAOEYTDUEPLC-SFHVURJKSA-N 257.421 4.775 30 10 CJEE CCC[C@@](C)(CC=CC#CC(C)(C)C)CNC(C)C 2268734138 ZRJNKIVNLWLZGZ-SFHVURJKSA-N 263.469 4.787 30 10 CJEE C#CC[C@H]1CCCN1Cc1sc2ccccc2c1Cl 2271468625 JTFDIFUNKDTYPX-LBPRGKRZSA-N 289.831 4.542 30 10 CJEE C=CCCCCCCCSc1ncc(C#N)cc1C 2271512166 DIITZQVFGWVFJJ-UHFFFAOYSA-N 274.433 4.880 30 10 CJEE C=CCCCCCCCSc1nc(C)c(C)cc1N 2271518248 ZAJKPBDATCVHOO-UHFFFAOYSA-N 278.465 4.899 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@]23CCCC[C@@H]2CC3)C1 2273397677 BXDBZEZTAPUEKZ-KZNAEPCWSA-N 261.453 4.635 30 10 CJEE CSCC1(C[C@@]2(C#N)CCC23CCC3)CC(F)(F)C1 2273950778 KISJGXBRIWPUON-CQSZACIVSA-N 285.403 4.629 30 10 CJEE CC(C)(C)c1ccc(OCC#CC2CCCC2)cc1 2274131053 OWZBWFRQLOGKGY-UHFFFAOYSA-N 256.389 4.557 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](CC#CC1CCCC1)NCC 2274132171 YXGGUJVCCXMUDV-ZWKOTPCHSA-N 263.469 4.621 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCc2ccc(F)cc2)C1 2277453078 AJSMIQWUACIWOT-YOEHRIQHSA-N 262.368 4.544 30 10 CJEE SCCCCCCCN1CCC[C@@H]1C1CCCCC1 2277507987 KMHVZRWQOHODIB-QGZVFWFLSA-N 283.525 4.911 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1cc(C(F)F)cs1 2277829915 LHMBASQIZIBCBX-UHFFFAOYSA-N 296.725 4.574 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CCC(C)C 2278177873 XRHXWDVMOSVVHC-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE CCN[C@H]1C[C@H](CC=CC#CC(C)(C)C)CCC1(C)C 2284070152 BZUWUKUPSOURGH-SJORKVTESA-N 275.480 4.787 30 10 CJEE CC(C)[C@@H]1CC[C@@H](CN)[C@@H](CC=CC#CC(C)(C)C)C1 2284084059 NHQLDXXTPLIRKN-SQNIBIBYSA-N 275.480 4.629 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@]1(C)COC)NC 2284646152 NFAVBCXPNYJGIV-KSZLIROESA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@]1(C)COC 2284681589 FNSQINRBQBJOAT-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE CCCCCCCN(C)c1ccc([C@@H](C)NC)c(C)c1 2285122042 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PSPJJYHXGKEVIJ-HOTGVXAUSA-N 266.450 4.746 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC[C@@H]1CCCC1(F)F 2321099244 PYHWOVKIDLRMKO-MJBXVCDLSA-N 259.384 4.522 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C(C)C)C(C)C)NCCC 2321127338 IWEFXLKXMRGZBD-WBVHZDCISA-N 253.474 4.885 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C)c(Cl)c(C)c1 2321220697 UZFNQBABJXTBEZ-HOTGVXAUSA-N 266.812 4.983 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2cc(F)c(Cl)cc2Cl)O1 2325175625 OSQBDTWVHAUYBK-OLZOCXBDSA-N 288.149 4.656 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@](C)(F)C(C)(C)F 2327949437 LJXGWISBPRLXQF-UKRRQHHQSA-N 264.400 4.964 30 10 CJEE O=C[C@@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC12CCC2 2334480464 MSAYCASLURYYNE-ZENOOKHLSA-N 270.363 4.597 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)Cc1ccc(Cl)cc1 2337093938 KDAXDLVNOBRMJV-UNEWFSDZSA-N 277.839 4.605 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2ccc(C)cc21 2337167265 SXUSWFUMESLOKS-OCCSQVGLSA-N 272.417 4.551 30 10 CJEE C=CCC(CC=C)[C@H](NC)C1CC2(C1)CC(C)(C)C2 2338731843 DLGKGLFYSXCPGR-INIZCTEOSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2338734196 BQLGQGWTKANSHF-INIZCTEOSA-N 298.257 4.892 30 10 CJEE C=CCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCCC 2339291272 PYAXFHRMVFNCKR-BDXSIMOUSA-N 261.453 4.703 30 10 CJEE Cc1c(F)ccc(C[C@]2(C=O)CCC[C@H](C)C2)c1Cl 2339316183 JNAAOOUABZBMJH-ZBEGNZNMSA-N 282.786 4.725 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCC[C@H](CCC)CC1 2339964174 LWSOKZNJTCMHLB-DOTOQJQBSA-N 255.405 4.829 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1ccc(C#N)cc1Cl 2343156835 PXMQAMDVFKPKFD-QWHCGFSZSA-N 277.795 4.663 30 10 CJEE CCCCCCCCC[C@@H](O)C1(C(C)(C)OC)CC1 2343574628 YZSGNTQCTXKDIH-OAHLLOKOSA-N 270.457 4.693 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1nc(C)c(C)s1 2344336283 HXXBBCIKDQXMSH-ZBFHGGJFSA-N 280.481 4.793 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc([C@H](C)OC)cc1 2344381255 BLVZWNROXWVWND-SUMWQHHRSA-N 260.377 4.569 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NCC2CC(C#N)C2)c1Cl 2353067320 WVQIBMMRUCPSDP-VOMCLLRMSA-N 297.229 4.502 30 10 CJEE CSc1cc(N[C@@H]2CCCC(C)=C2C)ccc1C#N 2353827831 SDKMCUVGDMGQRX-OAHLLOKOSA-N 272.417 4.581 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@H]1C)NCC 2357005865 KCAYSOOCOAVGHF-XDNAFOTISA-N 283.500 4.512 30 10 CJEE Cc1cc(Oc2nc(C)c(C(C)(C)C)s2)ccc1C#N 2360259545 FKZBGWAVKZWGDY-UHFFFAOYSA-N 286.400 4.721 30 10 CJEE CC(C)(C)C1CCC(C#N)(Nc2cccc(F)c2)CC1 37937015 NICXEEPONXPDTC-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE Cc1cccc(C[C@H](C#N)c2ccc(C(C)C)cc2)c1 41357510 HJZZBFMDURBGNI-LJQANCHMSA-N 263.384 4.968 30 10 CJEE C[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 54185543 OXCXNXXRTHUOPM-COPLHBTASA-N 265.809 4.760 30 10 CJEE CCCCCCCCN[C@H](C)Cc1cccs1 59259092 IBTKCGRVUFQELV-CQSZACIVSA-N 253.455 4.629 30 10 CJEE CCCC[C@@](C#N)(CC)Nc1ccc(Br)cc1 69381308 VMFYAGZJFPRTLW-CQSZACIVSA-N 295.224 4.724 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1ccc(C)cc1 73158363 MAAWSHIEXUOARJ-SFHVURJKSA-N 276.420 4.738 30 10 CJEE C[C@@H](CCS)CCSc1cccc(Cl)c1 87097828 UWDCXCHXMRSUMZ-JTQLQIEISA-N 260.855 4.778 30 10 CJEE CC(C)(C#N)SC(=S)c1cccc2ccccc12 90562206 ZUZNFFVDQKJTHA-UHFFFAOYSA-N 271.410 4.551 30 10 CJEE CCC(CC)(CS)CN(Cc1cccs1)C(C)C 94580897 MMLIRWTWRIZWTK-UHFFFAOYSA-N 285.522 4.695 30 10 CJEE SCCCCCOc1ccc(Cl)c2ccccc12 94584854 PELUQEGQKIXOMK-UHFFFAOYSA-N 280.820 4.972 30 10 CJEE CCCCCCCCNCc1cccc(OC(C)C)c1 100049015 WAZJWIUBFCUUQU-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE CCCCCC[C@H](C)Oc1cccc(Cl)c1C#N 104172617 JRUWWLZDAWQOLD-LBPRGKRZSA-N 265.784 4.949 30 10 CJEE CC#C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OCC 107656153 CFBOSZWYQNVBNV-SNVBAGLBSA-N 271.187 4.594 30 10 CJEE CCCCCCC[C@H](C)NCCCOc1ccccc1 109949875 ANKVBYRYYMOBIE-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C(C)C)CC[C@@H]1NCC 110081614 SSUWPRRORLKMII-SQNIBIBYSA-N 283.500 4.776 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1NC 110083950 WJLSAVASAACXLR-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1NC 110083959 WJLSAVASAACXLR-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265643 NZWDRUZLOBSQRI-RCCFBDPRSA-N 290.495 4.997 30 10 CJEE CCCCCCCCCCCCn1cc(CNCC)cn1 110267849 CANSEWMXYLHIGE-UHFFFAOYSA-N 293.499 4.914 30 10 CJEE CCCCCCCCCn1cc(CNC(C)(C)C)cn1 110267862 UPEPZUISLUUEGW-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCCCCCCCCN(C)C1(CN)CCC(C)CC1 110520292 HZEGNXIIQVCXEA-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE C/C(=N/O)c1ccc(OCc2csc3ccccc23)cc1 111311959 FXIBBSDEQKTDEX-PDGQHHTCSA-N 297.379 4.679 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(C)cc1 112151752 KMOBONFZILUYNI-MRXNPFEDSA-N 257.377 4.532 30 10 CJEE CCCCCCCCCCCCn1ccc(CN)c1 117578093 IVOSEHCQMBLCNF-UHFFFAOYSA-N 264.457 4.868 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cc(F)ccc2Cl)C1 126011980 CAMJFICSPMNUNC-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE Cc1cc(Oc2ccc3c(c2)CCCC3)ccc1C#N 126914583 BQJCBJVWPFQXTE-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)c2ccc(C)s2)CC1 127276347 KHYBKILFJGOUFE-WIHSUSGWSA-N 291.460 4.764 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H]1CCOC1)NC 130294927 UMNXMCZIWGHDRA-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC1(C)CCC(C#N)(CCSC(F)(F)F)CC1 130943556 YLZSZBCPJXSDAV-UHFFFAOYSA-N 265.344 4.740 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccncc1OC 134643241 IRFRFTKZDSLDJT-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE CCCCCCCCC[C@H](N)c1snnc1C(C)C 139412423 LVBGSTRMMBJLJP-ZDUSSCGKSA-N 283.485 4.802 30 10 CJEE CCCCCCCCC[C@@H](N)CC1CCSCC1 139451899 LPESDZDYADPOKD-MRXNPFEDSA-N 271.514 4.988 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)CCO[C@H]1C 160152816 NKDBVAAZNPRBAZ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCNC1=NC(CC)(CC)CS1 161091399 MCYRPZLASLKJMU-UHFFFAOYSA-N 270.486 4.598 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccc(Cl)cc1 162026100 ADFLVCWPTUMXMB-MRXNPFEDSA-N 289.806 4.877 30 10 CJEE CC1(C)CCC(OCc2ccc(C#N)cc2Cl)CC1 163000069 LHZDYYBOEDUXHZ-UHFFFAOYSA-N 277.795 4.697 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)CCCC(F)(F)F)C1 163798826 GSBHMQLBYJXOPF-MGPQQGTHSA-N 291.357 4.580 30 10 CJEE CCCCCCCC[C@H](NC)C(CC)(CC)OCC 164251190 YKDWLGTZEWGOCV-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H]1CC(=O)c2ccc(F)cc2O1 165500828 HYJDAXBOFKRFOL-CYBMUJFWSA-N 264.340 4.520 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 169064917 WAHWPOFIMMXQTN-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CCCCCCCCSCCCN1CCCCCC1=O 196296766 KDXVMFFVXXVUBU-UHFFFAOYSA-N 299.524 4.873 30 10 CJEE C/C(CCc1ccc(OC2C[C@@H](C)C[C@@H](C)C2)cc1)=N/O 212828609 RTGIWGGSSYEONK-GRARDIHPSA-N 289.419 4.673 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cn(C)nc1C 227451759 DVVJIRJXRSGTFX-QGZVFWFLSA-N 279.472 4.520 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccccc1C(F)(F)F 229753713 NLBANVDCGMZWAP-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C#C[C@@H](CCC)NCc1c(Cl)ccc(Cl)c1Cl 229928486 OBVFMBCLJLJFDJ-VIFPVBQESA-N 290.621 4.538 30 10 CJEE O=C(C=C1CCCCC1)c1cscc1Br 232485283 NXEXWKFXCPPETA-UHFFFAOYSA-N 285.206 4.584 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](C(F)(F)F)CCN1 232940329 YDDAFKXKHNGUAL-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE C[C@H](Nc1ccc(C#N)c2ccccc12)c1ccsc1 235564435 SZPDKUWBDKKSPX-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1C[C@H]2CC[C@H]1O2 250838079 WGVOFFVAFGKKPY-BRSBDYLESA-N 281.484 4.673 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 252431237 FOBNSMLHBLJWGP-UHIISALHSA-N 296.336 4.814 30 10 CJEE CC(C)(C)c1ccc(-c2csc(CS)n2)cc1 259317112 RHBHYQVZJXPDTM-UHFFFAOYSA-N 263.431 4.537 30 10 CJEE CC(C)c1ccc(CC(C)(C)C#N)cc1Br 260528621 NHGIJQATEBJZJB-UHFFFAOYSA-N 280.209 4.665 30 10 CJEE C=CCCCCC[C@H](NCCC)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300615627 OGWORKJDNFUCBK-NNPSNHGLSA-N 275.480 4.783 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(C)c(C)c1 308055152 MFVCVHSXJDQXRN-WBVHZDCISA-N 271.404 4.552 30 10 CJEE C[C@@H]1CC[C@@H](n2ccc3ccc(C#N)cc32)C[C@H]1C 311268072 SOZPCLJZTJVXQD-XJKCOSOUSA-N 252.361 4.510 30 10 CJEE CC(C)CC[C@@H](Nc1cc(Cl)ccc1C#N)C1CC1 311414316 AKTRTNMCXXDKDY-OAHLLOKOSA-N 276.811 4.838 30 10 CJEE CCC(C)(C)C1CCC2(CCC[C@H](CC#N)O2)CC1 311991781 QBRFPDFCNWDOPE-ISXOHVOVSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1CCN 312927404 DQACTAXDIUIIHM-GOSISDBHSA-N 282.516 4.721 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)s1 313427047 MEHSDMXCMSCUKH-SNVBAGLBSA-N 276.792 4.641 30 10 CJEE CC(C)(C)CCCNc1cc(Br)cc(C#N)c1 313456168 DCKVVVCZYDXTCE-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCCCCC[C@H](O)c1cccc(CSC)c1 327723527 FKRJBVACNOOQIW-INIZCTEOSA-N 266.450 4.944 30 10 CJEE CC(C)NC[C@@H]1CCC(C)(C)C[C@H]1CC#CC(C)(C)C 379883332 UFNWROXWVUHZFO-SJORKVTESA-N 277.496 4.867 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C(C)(C)C(C)(C)C)cc1C 380295831 GPTHWBKVZCAJEV-OAHLLOKOSA-N 271.404 4.552 30 10 CJEE C#C[C@@H](Nc1cccc2ccsc12)c1ccccc1 386238711 OFBZUYVJTAIPQU-OAHLLOKOSA-N 263.365 4.688 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(C)cc1Cl 387510669 YQYYOGPWOYLSGX-CQSZACIVSA-N 279.855 4.771 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C(C)(F)F 393245053 AIQLIESOGZBXDC-CQSZACIVSA-N 278.431 4.785 30 10 CJEE CC(C)c1cccc(NC[C@H](C#N)C2CCCC2)c1 397287592 KRJCJHOCKJPJDM-INIZCTEOSA-N 256.393 4.552 30 10 CJEE CN(C[C@H](C#N)C1CCCCC1)C1CCC(C)(C)CC1 397326076 RQEPZOMVFIYAFM-INIZCTEOSA-N 276.468 4.607 30 10 CJEE N#C[C@@H](CSc1ncccc1Cl)C1CCCCC1 397346922 XMKCKGYPSOSZBM-LBPRGKRZSA-N 280.824 4.547 30 10 CJEE CCC[C@@](O)([C@@H]1CC1(C)C)C1(C#N)CCC(C)(C)CC1 397589991 BOHHEJMIINPNOE-RDTXWAMCSA-N 277.452 4.674 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCCCCCC2)c(Cl)c1 404557660 PVFJPHZWBISPIB-INIZCTEOSA-N 291.822 4.936 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(CC)cc1 686695052 HIXSZJOHBYZUNB-IBGZPJMESA-N 271.448 4.873 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 686699165 CKEKZGIDCZXMFY-IXDOHACOSA-N 260.421 4.746 30 10 CJEE C#C[C@H](Nc1ccc(C2CCC2)cc1)c1ccccc1 690076575 OEHIHISREPEHQL-IBGZPJMESA-N 261.368 4.741 30 10 CJEE CCSc1cccc(N=C2N[C@H](CC(C)C)CS2)c1 690175532 OTNBSGWOHFVXES-CYBMUJFWSA-N 294.489 4.537 30 10 CJEE N#Cc1c(F)cccc1-c1ccc2sccc2c1 691801381 SZRBEMZDKVONRM-UHFFFAOYSA-N 253.301 4.579 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(COC)cc1 693439005 ZVSQPPCSYVGKQZ-GOSISDBHSA-N 277.452 4.844 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CC(C)(C)C)NC 695960328 UUGSWRHMTPDBHD-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE C=CCCSCCN[C@@H](CCCC)c1ccc(F)cc1 696094818 GPQGUAYRFAADMK-KRWDZBQOSA-N 295.467 4.956 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H](C1)C2 697294945 FVHOWUNNKXIJGG-KQFNBHBBSA-N 261.453 4.536 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@H]1CCCC(C)(C)CC1 697852299 VLCXTBJOUWNYJS-GJZGRUSLSA-N 264.457 4.605 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc2cnccc12 702761466 VREZIGJDGMVYAE-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CC(C)CCC[C@H](C#N)Nc1cccc(Br)c1 707341712 AWKDQZDRAUOPKO-CQSZACIVSA-N 295.224 4.579 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H]1CCCC(C)(C)C1 709604475 JHKNJJPIPNDUHR-DLBZAZTESA-N 282.516 4.575 30 10 CJEE Cc1c(Cl)cc(NC[C@@H](C#N)C(C)C)cc1Cl 709705004 HACCPOVYMYEHQR-SNVBAGLBSA-N 271.191 4.510 30 10 CJEE CCCCCCC[C@@]1(C)[C@H](NCCC)CCN1C(C)C 712190998 ITFAHJHDCUQADQ-MSOLQXFVSA-N 282.516 4.588 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1C[C@@H]1C1CC1 712637297 JSNPYYQNJXDHBE-USXIJHARSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@]1(O)C1(C#N)CCCCCCC1 713118199 JIRHFAPBMJHTFT-QAPCUYQASA-N 277.452 4.818 30 10 CJEE C[C@H]1CC([C@@H](C#N)Sc2ccccc2)C[C@H](C)C1 719359257 AVVYBTUJZKYXHS-XJKCOSOUSA-N 259.418 4.743 30 10 CJEE CCCC1CCC(C#N)(Cc2cc(C)cc(C)n2)CC1 723647114 OGBYNKLEFRQYRP-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=C1CCC(C[C@H](N)CCCc2cccs2)CC1 724549090 KVWPZJKKCHTXEY-OAHLLOKOSA-N 263.450 4.535 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc2ccccc2c1 854170320 UOIIMAIYNSAQKP-HDICACEKSA-N 292.382 4.555 30 10 CJEE C=CCCC[C@H](N[C@H](C)c1cncs1)c1ccccc1 883326694 JJBHLNNMQJVKRI-ZBFHGGJFSA-N 286.444 4.891 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1ccnc(O)c1)c1ccccc1 926856778 ZKJTYSNRYOEMFP-CRAIPNDOSA-N 296.414 4.535 30 10 CJEE Cc1ccc(N=Cc2cccc(Br)c2)cc1 1084605688 XSFSOGDCYXNGLW-UHFFFAOYSA-N 274.161 4.508 30 10 CJEE C1C[C@H]2[C@@H]3C[C@H](CC3=N/N=C3\C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)[C@H]2C1 1088588402 IPMPDKGHTLRJQQ-IAHGCUMPSA-N 296.458 4.696 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H](C)C1CCCC1)c1ccccc1 1128868549 QIYMVSLKYGUPPQ-VQIMIIECSA-N 299.458 4.821 30 10 CJEE C#CCC1(C(=O)NCCCCCCCC=C)CCCCC1 1129580176 HJQCFENRZGZLKR-UHFFFAOYSA-N 289.463 4.603 30 10 CJEE C=CCOc1cccc(CN[C@H](CC)c2ccccc2F)c1 1179044773 PYLSYEGUPKNOSQ-LJQANCHMSA-N 299.389 4.631 30 10 CJEE C=C(C)CCN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1205883171 SJIOQOZPGTUPGN-GOEBONIOSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CCC(CC)CC1 1206262849 DCRSIDVBZCCUMA-KVZIAJEVSA-N 271.448 4.732 30 10 CJEE C=CCC1(C(=O)NC[C@H]2CCCC[C@H]2CCC)CCCC1 1275984673 XLCJAKYFUKKEIS-IAGOWNOFSA-N 291.479 4.846 30 10 CJEE C=CCCCCN1CCC[C@@H]1c1cc(C)ccc1C 1307581850 CKLJPQFFKZZTRT-GOSISDBHSA-N 257.421 4.797 30 10 CJEE C=CCCC[C@H](NCc1ccc(C)cn1)c1ccccc1 1308041822 YDHUNBWHOKZXCT-IBGZPJMESA-N 280.415 4.577 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](CC)c1cccc(OCC)c1 1355130358 JONAKAQLOOFHEM-PBHICJAKSA-N 290.403 4.682 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(CCC(C)C)cc1 1356514571 OZBNXTIZSUSMAK-UHFFFAOYSA-N 273.420 4.816 30 10 CJEE C=C[C@H](CC)CC(=O)N(Cc1cccc(C)c1)CC(C)C 1358264520 AEBAJKLQSSOJTO-QGZVFWFLSA-N 287.447 4.582 30 10 CJEE C=C(C)COc1cccc(NC(=O)C[C@H](C)CC(C)C)c1 1435022317 AHHZYDXPRGGCRP-OAHLLOKOSA-N 289.419 4.652 30 10 CJEE Cc1csc(NC(=O)CCC2CCCCCC2)c1C#N 1459918131 AYZKJRPFIQAOHV-UHFFFAOYSA-N 290.432 4.617 30 10 CJEE C=CCCCN(CC)[C@H](C)c1cccc(Cl)c1F 1460902318 UJDNAXRQUMTXRO-GFCCVEGCSA-N 269.791 4.828 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(-c3ccco3)cc2F)C1 1461485209 VSSLGEUOUSLSQI-YOEHRIQHSA-N 299.389 4.920 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 1461767583 DQJRJZNLUHXZBW-MRXNPFEDSA-N 287.447 4.740 30 10 CJEE C=C(C)CCSCc1ccc(C(F)(F)F)cc1 1473025878 MPZKFFAZBQOIJH-UHFFFAOYSA-N 260.324 4.905 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(OC)c(OC(C)C)c2)C1 1474419118 SIKSLUBAWUSNBT-LSDHHAIUSA-N 289.419 4.639 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1515184781 RZGNQNBGIIEEDB-KRWDZBQOSA-N 287.447 4.801 30 10 CJEE C=CCCCCCCCCNC(=O)C1C(C)(C)C1(C)C 1524262683 QTHHNQGQTZXHQA-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C[C@@H](OC(=O)CCCCc1ccccc1)c1ccccc1 1532387935 QJQUEOVFHYCBTA-LJQANCHMSA-N 294.394 4.870 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 1538763723 VVNMFCNWCHXZEH-QZTJIDSGSA-N 299.458 4.821 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc2cccc(F)c2s1 1559234727 BQEDSRKOIQIOIL-DGCLKSJQSA-N 290.407 4.982 30 10 CJEE C=C(C)CN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1559679548 KSPGEDNZGNMCIA-HNNXBMFYSA-N 299.389 4.631 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C(C)C)cc1 1562051532 HUKIOEGFHCNPRX-KRWDZBQOSA-N 286.419 4.773 30 10 CJEE C=C[C@@H](CC(=O)N1CC[C@@H](CC(C)(C)C)C1)c1ccccc1 1584016413 ZHAYHJFVBMAPML-IRXDYDNUSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](C)Nc1ncnc2ccc(C(C)C)cc12 1612184432 SCNZWEULCLOVGH-AWEZNQCLSA-N 283.419 4.910 30 10 CJEE C=CCCC1(CNc2cc(CC)nc(CC)n2)CCCC1 1612604137 NFFQZKFFDPWCJY-UHFFFAOYSA-N 287.451 4.540 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1ccc(-c2ccccc2)cc1 1622706540 OMNRRXLBPHPULF-GOSISDBHSA-N 292.382 4.536 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc2occ(C)c2c1 1623883107 AAIGGTHOVOZZIZ-CYBMUJFWSA-N 286.375 4.608 30 10 CJEE C=CCN(Cc1ccc([C@H](C)C(F)(F)F)cc1)C1CC1 1653002262 QXJVWPVQPVCOTJ-LBPRGKRZSA-N 283.337 4.503 30 10 CJEE C=C(C)CN[C@H](CC(C)C)c1cc(Cl)ccc1OC 1653930002 XOENZHDUQZBVEL-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1nc2cccc(F)c2o1 1655444845 DXXHWCBTZDDRMT-UHFFFAOYSA-N 296.345 4.550 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(Br)cc1 1656906565 RMLHHEJRTPYJEU-UHFFFAOYSA-N 296.252 4.531 30 10 CJEE C=C1CCC(CNCc2ccc(F)c3ccccc23)CC1 1656925157 BVYZSCCJVQKSDQ-UHFFFAOYSA-N 283.390 4.815 30 10 CJEE C=CCn1ncc2ccc(NC[C@H]3C(C)=CCC[C@@H]3C)cc21 1658082878 QACXYEFMZUIUGO-YJBOKZPZSA-N 295.430 4.627 30 10 CJEE C=CCC1(NC[C@@H](C)c2ccc(F)cc2)CCCCC1 1659792499 QFKWKOIQHYTGPK-OAHLLOKOSA-N 275.411 4.798 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 1665420615 QBILGWNFIZXIAS-HZPDHXFCSA-N 293.495 4.695 30 10 CJEE C=CCCCCCCCCNC(=O)Nc1ccccc1F 1666900551 LWHPYFTVSOQLNI-UHFFFAOYSA-N 292.398 4.864 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1cccc([C@@H](C)CC)c1 1679332985 TWUYRAYBHKHWSM-AWEZNQCLSA-N 288.435 4.924 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MNKSNNKVBWIWSH-UHFFFAOYSA-N 292.716 4.796 30 10 CJEE CCCC#CC[C@@H](NCCC)c1cccc(OC)c1Cl 2283320107 PNXIVPLRPLXORP-OAHLLOKOSA-N 293.838 4.583 30 10 CJEE CCCCCCCCCCOC[C@H](N)[C@H]1CC12CCC2 2283691350 RDSGOEQGHXNJHY-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCNC[C@]1(CC=CC#CC(C)(C)C)CC[C@H](CC)C1 2284077212 QCKOTRNFDHYANR-PKOBYXMFSA-N 275.480 4.788 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C)c2ccccc2[C@@H]1NCC 2287076095 GSRWDIUQAPCNFB-QGTPRVQTSA-N 289.488 4.912 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](O)(CC)CCC(C)C 2287388685 VTXBFOGZNWIHBP-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](C)(O)CCC=C(C)C 2287389507 FJLFTZKHGXMBSG-ROUUACIJSA-N 281.484 4.598 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(C)c2ccccc2n1 2287413847 LVYYZNCJOMKLSH-INIZCTEOSA-N 268.404 4.680 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CC2(CC(C)C2)C1 2287835203 IXHFNJSIIBSPOE-APUKJBRXSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCCN1CC[C@@H](C#N)CC12CC2 2288627268 UYWAMWYGMMEHIE-QGZVFWFLSA-N 276.468 4.895 30 10 CJEE CCN[C@]1(C#N)CCCC[C@H]1CCSC1CCCCC1 2288858455 PUQSFLGDUTWBQI-RDJZCZTQSA-N 294.508 4.504 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC(C)(C)C1CC1 2289791920 UEQFMYVARWKSGI-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC#CC2CCCC2)CC1 2289881714 MTPWKOBUGWIYOM-UHFFFAOYSA-N 274.448 4.992 30 10 CJEE CCC(CC)C(=O)[C@H](C#N)c1cccc(C(C)(C)C)c1 2290190738 NRWDUJUONBQTMV-MRXNPFEDSA-N 271.404 4.597 30 10 CJEE Cc1cccc(N[C@H]2CC(C)(C)CCC2(C)C)c1C#N 2290270821 PYDBFHDWKLLESU-INIZCTEOSA-N 270.420 4.884 30 10 CJEE C=CCC[C@@]1(OCCC(=O)O)CCC[C@H](CCC)CC1 2290760220 OVNPDEBKZJCDHD-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCC#CC[C@@H](CCCCCCCC)OCCN 2292553476 BIMDLHIFLXOCBE-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC1(C)C)OCCCN 2292733078 CFZPACJRMAJYAL-SJORKVTESA-N 283.500 4.907 30 10 CJEE C=CCCC[C@](CC)(OCCCN)c1ccc(Cl)cc1 2293892154 FDDIDCHMQDLVCT-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]1C(C)C)OCCCN 2293964144 KUTRYQKEIHYPKZ-RCCFBDPRSA-N 283.500 4.763 30 10 CJEE C=CCCCCCC[C@](C)(OCCCN)[C@H]1CC1(C)C 2294017787 HYSDXFJGJYKKGG-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(CC1=CCCC1)OCCN 2294061004 ZUYTYXUYJFLBHZ-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=C(C)C[C@](C)(OCCCN)C1CCC(C(C)C)CC1 2294158503 VFRFUGGUZPRSBQ-ABHNRTSZSA-N 281.484 4.539 30 10 CJEE CCCCCCCCCC[C@](C)(OCCN)C(F)(F)F 2294539799 XZPDUTJOOKTNCO-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CC(C)(C)CC1CC([C@H](O)C#Cc2ccccc2Cl)C1 2295234339 KRAJKZPHYYQJEE-PUJMQQBBSA-N 290.834 4.515 30 10 CJEE CCCCCCCCCCCCC(=O)C(F)(F)CNC 2295324333 OGVACJAKGNDXKZ-UHFFFAOYSA-N 291.426 4.721 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1nc2ccccc2s1 2295385507 LLVVKOAANMKAJK-CJNGLKHVSA-N 288.460 4.939 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)CCC(C)C 2295536513 OWFZYYUMKMZXSY-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](NCC)CCN1CC 2295678366 HQQRFRDBFGPZDQ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCN[C@@](C#N)(CSCC1=CCCC1)C[C@H](C)CC 2296282429 WSLHBTQNYYZFAW-WBVHZDCISA-N 294.508 4.528 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cccc(Cl)c1Cl 2302848671 HQIPOSKGIJZJIZ-FZMZJTMJSA-N 270.203 4.610 30 10 CJEE C=C[C@@](N)(c1cc(Cl)c(C(F)F)s1)C(C)(C)C 2304542343 WPVLHBCRNPINOO-GFCCVEGCSA-N 279.783 4.725 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2306219580 NUHUZCFAXSIVEZ-ZDUSSCGKSA-N 276.182 4.749 30 10 CJEE CC1CCC(OC[C@@](C)(CS)C(C)(C)C)CC1 2307145676 SOVCVWQUCJKWRQ-PIMMBPRGSA-N 258.471 4.564 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1sc(C)cc1C 2316746557 IOTITZKKRHETBE-HNNXBMFYSA-N 263.450 4.784 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ncc(Cl)s1 2316751799 HZEDDDCWCKXJQH-ZDUSSCGKSA-N 284.856 4.606 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2316781477 AGEYQRONEHAEDU-JONQDZQNSA-N 269.860 4.714 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc(CC)s1 2316785277 BZESAXSOZNVSNE-CQSZACIVSA-N 263.450 4.545 30 10 CJEE Cc1c(C[C@]2(C=O)CCC2(C)C)ccc(Cl)c1Cl 2316853552 UEMDTKZTGVCARW-HNNXBMFYSA-N 285.214 4.850 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2317934903 WYUOIZSJCNTMGB-LLVKDONJSA-N 287.856 4.807 30 10 CJEE C=CC[C@H](C)[C@H](CCCCCC1CC1)NCCC 2321108206 NOUCOZIINWBNGX-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C)(C)C(F)(F)F)NCC 2321114491 AHHJVBFUCLSGHF-LLVKDONJSA-N 265.363 4.545 30 10 CJEE C=CCC(C)(C)C(=O)c1cccc(C(F)F)c1F 2321123829 XFCSAVHZJGOVDI-UHFFFAOYSA-N 256.267 4.548 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CC(C)C1)NCCC 2321146469 YUMMOPPVEWLIEG-CKDBGZEDSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(C)c(Cl)cc1F 2321179680 LKWUQOBDQJQBTH-HNNXBMFYSA-N 268.759 4.963 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2328624604 ATNRCKHGCDQZLD-BRSBDYLESA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCCC=C[C@H](O)[C@@H](C)N 2333297247 ZREXGWPJFRJAJU-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2333450663 ICPXGOSQUHHFFZ-AAVRWANBSA-N 277.374 4.545 30 10 CJEE C=CCC(CC=C)SCC[C@H]1CCC[C@@H]1NCCC 2335095888 GZMDYJLKZOEMHW-WBVHZDCISA-N 281.509 4.799 30 10 CJEE CCCCCCCCCCN=c1[nH]cc(F)cc1C 2336682941 CBRQEBTXZCOTSV-UHFFFAOYSA-N 266.404 4.504 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)Cc1ccc(Cl)cc1 2337093936 KDAXDLVNOBRMJV-FRFSOERESA-N 277.839 4.605 30 10 CJEE CC(C)(C#N)CCCCNCc1cc(Cl)cc(Cl)c1 2341225832 ZRMBZKHRVBSWHU-UHFFFAOYSA-N 299.245 4.803 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1ccccc1C1CCC1 2341884249 MEJJZFFKTWRCKA-ZWKOTPCHSA-N 255.405 4.571 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cccnc1C(C)C 2342162160 JTBPSJLCJGGTFR-QGZVFWFLSA-N 261.409 4.533 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1CC[C@H]1C(C)(C)C 2343211530 ZAOUZDPBGPTPQH-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1nc(C2CC2)cs1 2344373328 ZKEVKDAOLJAAMU-CQSZACIVSA-N 278.465 4.664 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1[C@H]2CCCCC[C@H]21)NCC 2344376795 BNQYCTBMKCRXQH-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)C(=O)CC1(C)CC2(CC(F)(F)C2)C1 2344419136 FNURNVBKXGMBCG-UHFFFAOYSA-N 270.363 4.764 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@H]2CCCC[C@@H]21 2352095088 FFZMLRANACLXKW-YQQAZPJKSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@H](C[C@H](CC)CCC)OCCN 2353454058 DQRUCVGFUCOASD-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3CCC[C@@H]4C[C@H]34)n2)cc1 2354344231 QQKLZFJBLCROSX-ILXRZTDVSA-N 280.396 4.585 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CNC[C@H]1C 2355616121 MQBIBBJFJZNDNI-KZNAEPCWSA-N 283.500 4.514 30 10 CJEE CCCCCCCN(C)c1ccc(C)c(Cl)c1C(=O)O 2360538570 SVPIDJBWFYRELK-UHFFFAOYSA-N 297.826 4.753 30 10 CJEE CCOc1ccccc1/C=C1\CC[C@H](C2CCCC2)C1=O 3895464 RPNARAYNNNPCBU-HJUDDPQBSA-N 284.399 4.638 30 10 CJEE CC(C)CC(CC(C)C)N[C@@H](C)c1ccc(C#N)cc1 36991781 PBHMEYPQFGUIJM-HNNXBMFYSA-N 272.436 4.670 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccccc2F)cc1 37938876 IWPVDADBPHQBNG-QGZVFWFLSA-N 282.362 4.800 30 10 CJEE CCc1ccccc1[C@@H](C#N)Nc1cccc(Cl)c1 52204029 FSFPKFHMDNCNMM-MRXNPFEDSA-N 270.763 4.579 30 10 CJEE CCc1cccc(OCC[C@H](C#N)c2ccccc2Cl)c1 57685394 NIDJVFONIIVVRO-OAHLLOKOSA-N 299.801 4.979 30 10 CJEE CCCCCCC[C@](C)(CN)N1CC[C@@H]2CCCC[C@@H]2C1 59382739 PNYXCHUKSWMTIT-IPMKNSEASA-N 294.527 4.576 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)OC)cc1C 59462155 DOVCXXLRWZIHMB-OAHLLOKOSA-N 291.435 4.943 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)NC)cc1C 59471736 DXOKOZJGWZDLPK-OAHLLOKOSA-N 290.451 4.516 30 10 CJEE N#C[C@H]1CCCC[C@@H]1c1c(Cl)cccc1Cl 62625240 XKLPYYKEMLQFJQ-ZJUUUORDSA-N 254.160 4.791 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cc2ccccc2cc1O 62786139 ACBBYSBECBXGGO-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE Cc1ccccc1Cc1nc(-c2ccc(C#N)cc2)cs1 62938244 QCSAQMLPLUSGNQ-UHFFFAOYSA-N 290.391 4.581 30 10 CJEE CCCCCCn1c(CCS)nc2cc(Cl)ccc21 71744420 ZKYPSRQKJWGBEB-UHFFFAOYSA-N 296.867 4.742 30 10 CJEE Cc1ccc2ncc(C#N)c(Nc3ccc(Cl)cc3)c2c1 75330262 DXAISBMHRMGMGN-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCC(C)(C)CC1 86902284 OIKGEWDXRKTYHX-AWEZNQCLSA-N 274.383 4.777 30 10 CJEE CCCC(CS)(CCC)CN1[C@H](C)CCC[C@H]1C 94578277 OAURZAHPWDHQPJ-HUUCEWRRSA-N 271.514 4.766 30 10 CJEE CCCC(CS)(CCC)CN1CCCC[C@H]1CC 94578989 DJTWXCLKCDVYGU-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE C[C@H]1CCN(CCCCCCCCCS)C[C@@H]1C 97799593 ANHLIUKJCVYJJV-HOTGVXAUSA-N 271.514 4.625 30 10 CJEE C=CCc1cccc(C=O)c1OCCCCCCC 100132689 KNSNZGCYKYXWOO-UHFFFAOYSA-N 260.377 4.577 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C#N)cc2Cl)CC(C)(C)C1 104175027 DWYYOSGYHDPJDP-AAEUAGOBSA-N 277.795 4.805 30 10 CJEE CC#C[C@H](C)Cc1cc(C(F)(F)F)ccc1OCCC 107475766 WLDFGAGHPZZQAH-LBPRGKRZSA-N 284.321 4.696 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(OC)c(C(C)C)c1 107518418 ZGNMXOMAWAVVPS-GJZGRUSLSA-N 258.405 4.972 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(Br)c(C)c1 107608964 IUODQIKLGRAOKJ-AAEUAGOBSA-N 279.221 4.911 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(F)c1 109705288 PBZARSYZOPYLPN-MRXNPFEDSA-N 251.389 4.750 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1cc(Cl)ccc1C#N)C2 109788208 AIVLWZYPIRGOKW-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE N#Cc1ccc(Nc2ccc(F)cc2Cl)c(Cl)c1 110254031 BMDHKXWIROZQDI-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCOCCCCCCNC(C)C 112718067 NURDRKLXNMWREY-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@]1(C)CC 114066317 BMIMMNOSOGXXJY-IPMKNSEASA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@H](O)[C@](C)(CC)N1CCCCC1 118162355 ZAFPRQSYGXEIKT-ROUUACIJSA-N 283.500 4.753 30 10 CJEE CCCCCCCCO[C@@H]1CCC(C)(C)[C@H]1NCC 123879599 KEFPOTUIDZFSLI-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](CCC)OCC 126197094 STLANUAXDARYAZ-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE Cc1cc(Oc2cccc3ccccc23)ccc1C#N 126906658 RQIAPEHVJRFUNR-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 156177938 VMKQQNOWMZYUDV-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@@H](NC)C1(OC)CCCCC1 159879148 YIBHJJZQMOYSAQ-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CCC(C)(C)O2)CC1 161269615 GNCLVZUUWUMAKZ-CKDBGZEDSA-N 263.425 4.834 30 10 CJEE C=CC[C@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 162621717 YZQVUZUPVPNZPY-IINYFYTJSA-N 272.219 4.999 30 10 CJEE CCCCCCCCC[C@H](CC1CCOCC1)NCC 162670335 HNPDWYBASSBZCU-GOSISDBHSA-N 283.500 4.922 30 10 CJEE N#Cc1cc(Sc2cccs2)ccc1C(F)(F)F 164513911 OVDHXFDJPHYFLX-UHFFFAOYSA-N 285.315 4.790 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 214507321 COKNWDNLGQUTIQ-GOEBONIOSA-N 276.811 4.838 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@H]2CCCC[C@@H]2C)cc1 219577006 DFOTYEQLRUMDSR-WBAXXEDZSA-N 270.420 4.543 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(Cl)c1C 220606900 WOODGUPEZYHPET-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 227533759 ZWRNJOQQQGISJP-HRCADAONSA-N 251.458 4.641 30 10 CJEE Cc1ccc(Nc2ccccc2C(C)C)c(C#N)c1 232766388 KCDNPDLJUPHSON-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCCCCCCCC[C@H]1COCC[C@@H]1NCCC 232945573 PZVGZWVUEKXIKF-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(OC)CCCCC1 233123996 PBGRTZINQBRJQS-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CN 233380698 HBEISBYQCOBQDB-GVDBMIGSSA-N 251.458 4.914 30 10 CJEE C=CCCCCCNCc1ccccc1C(F)(F)F 236114735 YBYSIZAVQINMJD-UHFFFAOYSA-N 271.326 4.541 30 10 CJEE N#Cc1cc(-c2cc(Cl)cc(Cl)c2)cs1 238543427 FBWRWUJXWGNJEZ-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)C[C@H]2CC[C@H]1O2 250811355 HMRASBCUCNTHMI-KZNAEPCWSA-N 281.484 4.946 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(C)ccc2C(C)=NO)C1 252464280 UCWDLBDQRUCLRL-GJZGRUSLSA-N 275.392 4.541 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252903432 ONLPQUBQIBYISO-ZBRFXRBCSA-N 283.500 4.775 30 10 CJEE N#Cc1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1 253614240 WAMBWAKTSMBFQG-UHFFFAOYSA-N 299.329 4.582 30 10 CJEE N#Cc1c(N=Cc2cccs2)sc2c1CCCCC2 254879767 QLBWWLSFFUHUJQ-UHFFFAOYSA-N 286.425 4.701 30 10 CJEE CC[C@@H](C)c1ccc([C@@H](C)CC=O)cc1Br 258815311 YJKHNGHMEMXOHA-MNOVXSKESA-N 283.209 4.655 30 10 CJEE N#Cc1ccc(N[C@H]2/C=C/CCCCC2)cc1Cl 302329866 DALDAEYAYQEYCB-BPJJOFIESA-N 260.768 4.512 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2sccc2Cl)C1 304579341 QKJFSZMLCWOCHE-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE Cc1cc(Cl)ccc1N[C@H]1CCCCC[C@@H]1C#N 305982812 MMPKMUSKBQGAIK-DOMZBBRYSA-N 262.784 4.533 30 10 CJEE CC(C)(C)CCc1nc(-c2ccc(C#N)cc2)cs1 311278748 QRDYSUMDJPBUMI-UHFFFAOYSA-N 270.401 4.660 30 10 CJEE CCCCCCCCCn1ccc(CNCC)c1C 311430984 PTCISLVASIVWRS-UHFFFAOYSA-N 264.457 4.657 30 10 CJEE C=CCCCCCCN[C@H]1CCOC2(CCCCC2)C1 312492388 WIXQVUMMMQDBPC-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE N#Cc1cc(N[C@@H]2CCCC23CCCCC3)ccc1F 313020371 XMASSWJQKKSOBP-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CCCC1CCC(C=O)([C@H]2C[C@@H]2c2ccccc2)CC1 316824556 KULAXQLFWYVNRN-BEVRRMAYSA-N 270.416 4.966 30 10 CJEE CC#CCCC1(CNCC(C)C)CCCCCCC1 318002285 HSICZJWLMRPXJU-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CC[C@H]1CC[C@](C#N)(CC(F)(F)c2ccccc2)C1 381678241 SGWMVFILFNYCDK-DZGCQCFKSA-N 263.331 4.889 30 10 CJEE CC#CCC[C@@H](NCCC)c1cccc2ccsc12 386200911 RPEAHENHNNRVTA-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CCCCCCCCNCC[C@H]1C[C@H]2CC[C@H]1C2 394202144 QHWRVGPQXRFFCY-ULQDDVLXSA-N 251.458 4.763 30 10 CJEE CCC[C@H]1CCCN1CC1(CS)CCCCCC1 396986996 ZOKHHNVQKABHCC-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 398202309 WNHYFZBGMPWYGW-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2ccc(F)c(F)c21 398292621 ZSSBVGQWFMLBSG-SECBINFHSA-N 282.359 4.521 30 10 CJEE N#CCCC1CCN(Cc2ccc(Cl)cc2Cl)CC1 399462181 MESRKDZYQSPCIK-UHFFFAOYSA-N 297.229 4.509 30 10 CJEE CCCCCCCOC[C@H]1CCC[C@H](NCCC)C1 403793120 JAVWHWQADDSXDE-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCC[C@H](C(=O)N1CC2(CCC2)C[C@H]1C)c1ccccc1 432583170 GKPSWBDTSSQZCV-AEFFLSMTSA-N 297.442 4.528 30 10 CJEE C=CCCCC[C@H](C)Nc1ccccc1-c1nnc(C)o1 449004285 XALMAWVQGXGSEP-ZDUSSCGKSA-N 285.391 4.592 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 529272168 MTJNNHLYKDKETK-JKSUJKDBSA-N 297.423 4.609 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@@H]1c1ccccc1C#N 616593584 JOGZFAJTMRJAGG-LJQANCHMSA-N 290.410 4.851 30 10 CJEE C#CCCCCC[C@@H](N)c1cc2ccc(F)cc2s1 686698769 JRHSDOCMDXJJAA-CQSZACIVSA-N 275.392 4.624 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)CC(F)F)NN 688836568 CSXUNJKYPMZHQC-KBPBESRZSA-N 278.431 4.640 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1C[C@H]1OC 689928095 LCKUZZVHECYMRY-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC12CCOCC2 690059483 NNWFJLXIKXSSAF-IRXDYDNUSA-N 282.468 4.695 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCC1 691117138 IUCYRHLJRIJTID-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE Cc1nc(C)c(CC2(C=O)CCC(C(C)(C)C)CC2)s1 691369243 XDSOJHLNFRWAKF-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H](C)C1CCC1 692749766 MLWVAAZDJQESLS-WBVHZDCISA-N 268.489 4.785 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@]12CCC[C@H]1C2 693739062 YVSDIHCTACXZEW-DOTOQJQBSA-N 283.525 4.625 30 10 CJEE CN(CCCCCCCCCS)C[C@@H]1C[C@H]1C1CC1 698363237 GJECOLBHIMLXKE-IRXDYDNUSA-N 283.525 4.625 30 10 CJEE C=CC(C)(C)CCN[C@@H](c1ccccc1)c1ccco1 701895252 CKLQDGCONTVBHQ-KRWDZBQOSA-N 269.388 4.561 30 10 CJEE Cc1c(Cl)cccc1Oc1ccc(C#N)c(Cl)c1 702670055 KUYVQPVLETYWKU-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(COC)cc1 703441824 SJHGFYGMNFNIQC-QGZVFWFLSA-N 263.425 4.583 30 10 CJEE C=CC(C)(C)CCNCc1[nH]c2ccccc2c1Cl 706451947 SRASSVLQYVMLNO-UHFFFAOYSA-N 276.811 4.513 30 10 CJEE CCCCCCC[C@H](N)c1ccc2c(c1)OCC2(C)C 707865807 MIWOFFFGNPGQLH-INIZCTEOSA-N 275.436 4.717 30 10 CJEE C=C([C@H](NCCC)[C@H](C)CC(C)(C)C)C(F)(F)F 708257662 ZBVVUFPWWIHNBN-ZYHUDNBSSA-N 265.363 4.545 30 10 CJEE SCCCCCCN1CCC(C2CCCCC2)CC1 708823069 QIPWQZPPWUKUAW-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN[C@@H](C)C1 709348492 YOBOSRXXRCVENM-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CCCCC1CCC(CC2(CC#N)CC2)(C(=O)O)CC1 709494893 QGIQCVYGZCIXGP-UHFFFAOYSA-N 277.408 4.522 30 10 CJEE CCCCCCCCCCN1CCC[C@](O)(C(C)C)C1 710267581 KRFXATPEDNBOSN-GOSISDBHSA-N 283.500 4.610 30 10 CJEE C=C(Cl)C[C@@H](CSc1ccccc1Cl)NCC 710556941 NGISGJDLDYCTKW-NSHDSACASA-N 290.259 4.553 30 10 CJEE C=C(Cl)C[C@@H]1CCCCC[C@H]1CNCC(C)C 710618099 DWARGOATJSBBPT-GJZGRUSLSA-N 257.849 4.571 30 10 CJEE C[C@@H]1c2sccc2CCN1CC1(CS)CCCCC1 711841936 INKWWYSGBPLEFP-CYBMUJFWSA-N 295.517 4.548 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)c(Cl)c1 715703003 FRIXHFWDATVSNW-IUODEOHRSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 715794946 LPTIMZPSXBCTTM-BBWFWOEESA-N 265.485 4.887 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 715801164 WZXLBTTWHGEBOA-XHDPSFHLSA-N 286.246 4.726 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1 724557468 FCCUVGXZDGOPQN-MLHJIOFPSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H]2CCCCC[C@H]2CNCC)CC1 724614580 AHHDJFJQHCMPKT-MSOLQXFVSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2sccc2OC)CC1 724618505 QZSBTKCRTDWWEF-OAHLLOKOSA-N 293.476 4.934 30 10 CJEE CC[C@@H](C#N)c1ccccc1OCc1cccc(Cl)c1 725438363 OQXXTEQZLPKKRA-AWEZNQCLSA-N 285.774 4.936 30 10 CJEE C=C(c1cccs1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1083801184 PCWXCJRXVNHMFH-ZDUSSCGKSA-N 293.432 4.551 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(C2CCCC2)cc1 1127518189 AVDYESBAJPTHGX-HNNXBMFYSA-N 285.431 4.819 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@@H]2CCCC[C@@H]2C)CCCC1(C)C 1128470598 XTTOROKRGOZLBP-ULQDDVLXSA-N 291.479 4.796 30 10 CJEE C=CCCCCCCNC(=O)C1(C)CCCCCC1 1128749097 XYZXMJHWLZQABE-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=C(C)[C@H](N[C@@H](C)[C@H](C)CC)c1ccc(F)c(F)c1 1169472514 HLYBUVPKPQNGJR-WQGACYEGSA-N 267.363 4.606 30 10 CJEE C=CCC(C)(C)CNCc1ccc(OC)c(C(C)(C)C)c1 1178795689 NAZHXYMDTYKOFO-UHFFFAOYSA-N 289.463 4.685 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc(O[C@@H](C)CC)n1 1183445334 RDYPIFNAMVKGRC-LSDHHAIUSA-N 276.424 4.806 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccccc2OC)cc1 1202434970 BLXLCKIEQKOBNO-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE N#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cn1 1244935116 YMZJMNCYCBSJDZ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1280275606 LGLLXNKFVRXQDY-LUKYLMHMSA-N 289.463 4.549 30 10 CJEE C=CC(C)(C)CC(=O)N1CC=C(c2cccc(C)c2C)CC1 1289664552 JLYLMUUWFURZJT-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE C=CCC[C@H](CC)NCCc1cc2ccccc2s1 1308791885 RLXFEGHBSPYACD-HNNXBMFYSA-N 273.445 4.778 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C)cc2Cl)CCCC1 1309982677 LRTQVMJRPIKFIF-UHFFFAOYSA-N 292.810 4.659 30 10 CJEE C=C(Cl)CNC(=O)Nc1cccc(C2CCCCC2)c1 1311039731 WMVQYHMUIMXATC-UHFFFAOYSA-N 292.810 4.608 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)NCC(C)(C)CCCCC 1312222004 QNWZSVMMSLPINO-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE C=CCC1(C(=O)Oc2cc(C)c(Cl)c(C)c2)CCC1 1355207187 JVUWKKDNUNTVJX-UHFFFAOYSA-N 278.779 4.609 30 10 CJEE C=CCN(Cc1ccc(C)c(OC)c1)CC1CCCCC1 1473164342 UNXAUYIMHAZPFA-UHFFFAOYSA-N 287.447 4.572 30 10 CJEE C=CCCC[C@@H](NCc1ccn(C(C)C)n1)c1ccccc1 1473759887 QQCZIABHNKQNEN-LJQANCHMSA-N 297.446 4.651 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc2ccccc2c1 1475945206 QXLZDFDIAVFAOG-UHFFFAOYSA-N 296.414 4.954 30 10 CJEE C=CCC(CC=C)C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1528911971 MCGBBAKNSBFZHI-NJAFHUGGSA-N 291.479 4.579 30 10 CJEE C=CC1(CC(=O)Oc2cc(Cl)ccc2F)CCCCC1 1532184140 RALFUDZPWZGPBL-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=CCC1(NC(=O)c2ccc(CCCC)cc2)CCCC1 1539235631 PLMWLUGUFHPMEJ-UHFFFAOYSA-N 285.431 4.648 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(CC)cc2)c1 1539550520 QTXCGVYNTGVYDT-UHFFFAOYSA-N 265.356 4.534 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2cccc(C#N)c2)CCCCC1 1544187748 PADKNFRWBFRDSF-HNNXBMFYSA-N 297.398 4.689 30 10 CJEE C#Cc1ccc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)cc1 1560442624 ULCNHGFEXCZGHO-OALUTQOASA-N 283.459 4.753 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1584832261 CMXYHOQZRICJCP-AWEZNQCLSA-N 279.468 4.652 30 10 CJEE C=CCN(C(=O)c1coc2ccc(C(C)C)cc12)C(C)(C)C 1587536851 XUFVLNBVCPEDDR-UHFFFAOYSA-N 299.414 4.983 30 10 CJEE C=CCCCCCCCNC(=O)C1CCC2(CC1)CC2 1596316968 DWMJJZVZLGHHBV-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(F)c3occc23)c1 1616751884 FBOWHOVVBPTJGI-UHFFFAOYSA-N 295.313 4.857 30 10 CJEE N#CCc1ccc(CN2CCCC3(CCCCC3)CC2)cc1 1617236991 GZYZIAWLXFKFKA-UHFFFAOYSA-N 296.458 4.689 30 10 CJEE C=CCCCNC1(c2c(Cl)cccc2Cl)CCC1 1617679688 LOEGBBLTTBEJEI-UHFFFAOYSA-N 284.230 4.928 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(Nc2ccccc2)c1 1627173439 OWWLQYCCUJBASA-UHFFFAOYSA-N 280.371 4.581 30 10 CJEE C=CCCCSc1ncnc2sc3c(c12)CCCC3 1643476286 HPOPIQSZXRMQMK-UHFFFAOYSA-N 290.457 4.628 30 10 CJEE C=CCC1(CNCc2cccc(OC(C)C)c2)CCCC1 1651073540 MHXORFZUNVTYKW-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE CC(C)CC[C@H]1CC[C@H](NCC(C)(C)CCC#N)C1 1651165418 IEMXUMDILRDGDJ-HOTGVXAUSA-N 264.457 4.511 30 10 CJEE C#CCCCCCCSc1nc2ccc(Cl)cc2[nH]1 1651548684 MHRBMMZMESKSPE-UHFFFAOYSA-N 292.835 4.892 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1ccc(OC)cc1 1655045234 PGXIPSNXODCXOA-WDYCEAGBSA-N 287.447 4.523 30 10 CJEE C=CCCCCCCNc1nc(C2CCCC2)ns1 1655458157 KXSNZIILUOYTGJ-UHFFFAOYSA-N 279.453 4.744 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1c(C)cc(C)cc1C 1655811047 GOOXLVFFGVGLEO-KRWDZBQOSA-N 259.437 4.961 30 10 CJEE C#CCCCCCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 1657431717 OREDXGSXQIRADW-FUHWJXTLSA-N 287.447 4.945 30 10 CJEE C=CCC1(NCc2cccc3[nH]ccc23)CCCCC1 1657962379 FKVVCUWLGXFJEK-UHFFFAOYSA-N 268.404 4.537 30 10 CJEE C=CC(C)(C)NCc1ccc(-c2ccccc2Cl)o1 1658125650 BWCWKMUKEWBCPU-UHFFFAOYSA-N 275.779 4.654 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1CCCc2cn(C(C)C)nc21 1659345893 OLXKHIRIHZCCBR-WBVHZDCISA-N 289.467 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C[C@H]1C[C@@H](C)C[C@H](OC[C@](C)(CS)C(C)(C)C)C1 2327098818 CIDHSHCIUBIOTC-ORIJERBGSA-N 272.498 4.810 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H]1C[C@H]2CC[C@H](C2)C1 2327165638 LHUZDLADELMSKM-HLPPOEQASA-N 270.482 4.564 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2327367857 MCHKFAMQOJYTCB-YGRLFVJLSA-N 288.193 4.749 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc(F)c(C)c1 2330485492 PZCPBOKYIFYFGG-UHFFFAOYSA-N 291.753 4.728 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(F)ccc1C(F)F 2338317924 ZWTTURZJEDPQRM-AWEZNQCLSA-N 272.310 4.933 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1[C@H]2CCCC[C@H]12 2338732566 KJBVMEFKMNKQQL-BQFCYCMXSA-N 261.453 4.559 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339276614 ZUQPFVDQZNOFOX-DUQPFJRNSA-N 260.421 4.764 30 10 CJEE C=CCC(C)(C)CO[C@@H](C)CCCCN[C@@H](C)CC 2340375823 GXPWYUMFFJAOIG-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@@H]1C1CCCCCC1)NCC 2341885356 QZNXOGPSWKZFSB-FJIDUMEYSA-N 261.453 4.537 30 10 CJEE 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CCC#CC[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2355404027 HKJFZMIXDIXORC-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@H]1CCC)NCC 2357796446 TWEJNMIJYDMJBJ-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@@H](OC)C[C@H]12 2358947781 GTWYNWJJULEQAI-JCECYMMASA-N 281.484 4.529 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@]12CCCC[C@@H]1C2 2359891319 JJNINJKEHALJBH-CEXWTWQISA-N 273.464 4.519 30 10 CJEE C=CCC(CC=C)O[C@H]1CCCCCCCC[C@@H]1NC 2360210912 ZFSKQWYHROEZFS-ROUUACIJSA-N 279.468 4.615 30 10 CJEE CC#CCCC[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2360218875 YDQVGYQJFLRHEL-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1cc(F)c(C)cc1F 2360328172 SZKLWBHJOOSFBX-WBMJQRKESA-N 299.430 4.622 30 10 CJEE O=C1/C(=C\C2CCCCC2)CCc2c1[nH]c1ccccc21 6252803 GWTFQBDFGBSFMC-OWBHPGMISA-N 279.383 4.804 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc3ccccc3c2)c1 21513053 AJKJMNVBRDJTLV-OAHLLOKOSA-N 271.363 4.994 30 10 CJEE N#Cc1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 36886876 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266.475 4.786 30 10 CJEE C=C(C)CC[C@H](Cc1cccc2ccccc12)NCC 97419638 HFEZVZUMVIOWFJ-GOSISDBHSA-N 267.416 4.717 30 10 CJEE CCCCCCCNCCNc1c(C)cc(C)cc1C 100050841 MDXBRBYWIGZZAM-UHFFFAOYSA-N 276.468 4.584 30 10 CJEE CC(C)(C)/C(=N/C(=S)Nc1ccccc1)c1ccccc1 107523492 BMPVSQYXLOEWMX-CAPFRKAQSA-N 296.439 4.919 30 10 CJEE CC[C@@H]1O[C@H]1CCc1ccc(OCc2ccccc2)cc1C 107616915 MLERNADKQYVAAY-PMACEKPBSA-N 296.410 4.684 30 10 CJEE CCCCCCCCCCCCN(CCCN)C1CC1 110105456 NIAWBPRUGLOLSL-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCOCc1ccoc1CNCC(C)C 110171230 ZQDTYCYARPBDNL-UHFFFAOYSA-N 295.467 4.902 30 10 CJEE CC1(Nc2ccc(C(F)(F)F)cc2C#N)CCCCC1 110257363 JSQBIWNSHDIVAN-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)OCO2 115652068 GEHKATPQQDXAKG-OAHLLOKOSA-N 278.392 4.589 30 10 CJEE CCCCCCCCCCCCn1c(CNC)cnc1C 115674002 YIDDCFOCXLHKRZ-UHFFFAOYSA-N 293.499 4.832 30 10 CJEE CCCCCCCC[C@@H](Cc1ncccc1C)NCC 117689225 PWNZLRCHIGLPQT-KRWDZBQOSA-N 276.468 4.661 30 10 CJEE CCCCCCCC[C@H](N)C1(N(C)C)CCCCCC1 118186686 OCDOXENYLJZRJQ-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC(=O)c1c(F)cccc1F 118712925 BJVGSMCTBOKYET-UHFFFAOYSA-N 254.320 4.898 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccn(C2CCCC2)n1 126697535 DJPSNIWATONRAG-GOSISDBHSA-N 292.467 4.652 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@@H](C)CC)c1C#N 127014838 TUJZKTJSOXQLIE-RYUDHWBXSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCCNc1cc(N)ccc1C(=O)O 129453549 OCSIYTVYNPCPBB-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE CCCCCCC[C@@H](CCc1ccco1)NCCC 139686466 FGZFYYJSZMFITE-INIZCTEOSA-N 265.441 4.941 30 10 CJEE CCCCCCC[C@H](NCCC)c1snnc1CC 139688346 DGCMNABELATWQJ-AWEZNQCLSA-N 283.485 4.502 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC 156215294 NWWRYWVORQAKSR-OAGGEKHMSA-N 251.458 4.641 30 10 CJEE CCCCCCCCN[C@@H](C)c1cccc(C#N)c1 160790123 UEZHICQRQMNNKY-HNNXBMFYSA-N 258.409 4.569 30 10 CJEE CCCCCCCC[C@H](N)c1cncc2ccccc12 165145165 LXXCRJIUQDKCMZ-SFHVURJKSA-N 270.420 4.985 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc(C(C)C)cc1 203445066 MAFSJOLZGMPUES-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1cncn1C 213584775 LVLGHHLCPKQRHP-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(CC#N)cc1 217966721 IEKLSLLCBAUYGZ-OLMNPRSZSA-N 270.420 4.625 30 10 CJEE C[C@@H]1CCC[C@@H]([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)C1 218623946 ZKQMBFZWVWBWEV-FOVNGAOHSA-N 291.479 4.920 30 10 CJEE C[C@@H]1CCC[C@H](SCc2cccc(C#N)c2F)C1 222344446 GLEUNQPETLOOSX-RISCZKNCSA-N 263.381 4.509 30 10 CJEE CCc1ccc(CNc2cccc(SC)c2C#N)s1 225329442 LDQIYPHBFUQCAR-UHFFFAOYSA-N 288.441 4.516 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)cc1 227611444 PJJMFDVNXCNSOT-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C=CCC[C@@H](C)N[C@@H]1CCSc2ccc(Cl)cc21 228821730 NWSDIHANFXYAOK-BXUZGUMPSA-N 281.852 4.821 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2cccnc2c1 228954947 LPXAWECWHLGFFI-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079776 DYEDUUOOJRVYMZ-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CC(C)C[C@H](C)N(C)c1ccc(C#N)c2ccccc12 232602886 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251293728 DEOBNDGFFBDPIV-KBXCAEBGSA-N 298.817 4.988 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC[C@H]2CCC)C1 251335634 LUCMLFOMPJNRFX-TVFCKZIOSA-N 276.468 4.750 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc([C@@H]3C[C@H]3C)o2)C1 252553956 RKCYPQUMQZLZMO-NBZYUPRNSA-N 287.403 4.547 30 10 CJEE Cc1ccc(C=Nc2c(N)sc3nc(C)cc(C)c23)cc1 254290091 GNUBJMBQXUPPCL-UHFFFAOYSA-N 295.411 4.554 30 10 CJEE N#C[C@@]1(Cc2cccc(Cl)c2Cl)C[C@H]2CC[C@H]1C2 300426499 GDPNPQUTKRSSQJ-WBIUFABUSA-N 280.198 4.866 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(Cl)s2)c1 308104126 CWLNJABODGLUGW-JTQLQIEISA-N 276.792 4.755 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(F)ccc1Cl 310504956 SGXMLSTUNRWXTA-CQSZACIVSA-N 256.748 4.649 30 10 CJEE CCN[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)CC#CC(C)(C)C 312219705 ZNICJNMYFKXRBI-BRWVUGGUSA-N 277.496 4.867 30 10 CJEE C[C@@]1(c2cccc3ccccc23)CCC[C@@H](CC#N)O1 312345492 JJFGEUHHOXIJQK-YJBOKZPZSA-N 265.356 4.538 30 10 CJEE CCCCCCCOC[C@H]1C[C@H](C)Nc2ccccc21 312524473 OYWYAPMHRKGURD-JKSUJKDBSA-N 275.436 4.961 30 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283.500 4.924 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1nc(C)ccc1C#N 2234439407 ZSXSEFBWQUYXMU-KRWDZBQOSA-N 274.408 4.636 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNC[C@H](F)C1 2234659488 JFKPTTMHOBWNFG-SJORKVTESA-N 287.463 4.624 30 10 CJEE C=CCCCCCCC[C@@]1(C=O)C[C@H](OC)C12CCC2 2235518650 IPZPCLSMQIAIQV-IRXDYDNUSA-N 278.436 4.677 30 10 CJEE C=CCCCCCCC[C@]1(N)CCOCC12CCCC2 2235520502 AFXHQANKHLRORV-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCC[C@@H](CCc1ccncc1)NC 2235525169 YGCGNDHVTPIVBA-SFHVURJKSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)c1cc(C)c(C)s1 2235535708 QKQNWACJQZBANW-WBVHZDCISA-N 295.492 4.642 30 10 CJEE C=CCCCCCCCn1ccc2c(CN)cccc21 2235540483 XPDSZJLYDWLJNE-UHFFFAOYSA-N 270.420 4.627 30 10 CJEE CCCCCCCCCCCCOC[C@@]1(C)C=CCN1 2237174999 XJBBXBRMGXYWTJ-GOSISDBHSA-N 281.484 4.842 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)ccc(OC)c1F 2237523819 OMSAILHALBKJRT-ZDUSSCGKSA-N 285.378 4.724 30 10 CJEE C=CC[C@@H](C)OC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2238003785 MORYDEKNIMIQJR-MLGOLLRUSA-N 299.817 4.501 30 10 CJEE CC(C)(C)C#CCN[C@H](CC(C)(C)C)c1ccccc1 2239142855 VLKYEIXXRLLXMG-QGZVFWFLSA-N 271.448 4.803 30 10 CJEE C[C@H](CC(C)(C)C#N)NC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2239199075 WWAKHROKYSCSIJ-QBPKDAKJSA-N 276.468 4.511 30 10 CJEE CCCCCCCCCOC[C@H](NCC)c1cncs1 2239445210 FZOFGPRNBIBSNA-HNNXBMFYSA-N 298.496 4.561 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@@H]1CNC(C)C 2239468171 NHKUVSZXCMSZOD-MSOLQXFVSA-N 283.500 4.778 30 10 CJEE C=C[C@@H](CCCCC)OCc1cc(CNC(C)C)cs1 2239497224 AARYJVSQIJDHTF-INIZCTEOSA-N 295.492 4.898 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)CC(C)(C)C 2240561439 WLNYSAAUVYIPQX-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)CC[C@H](C)CC 2240573944 MFURBGGOXGNWIU-QZTJIDSGSA-N 284.532 4.822 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H](C)c1ccc(C)cc1 2240824456 UMUUPTSZGYQQKJ-PKOBYXMFSA-N 271.448 4.660 30 10 CJEE C=C(Br)CCOc1cccc(OC(C)(C)C)c1 2249323312 MCXHTFDKACKJNO-UHFFFAOYSA-N 299.208 4.541 30 10 CJEE C#CC(C)(C)CC(=O)c1cc(Cl)c(Cl)cc1C 2249735209 YWNCJBCWMDLISF-UHFFFAOYSA-N 269.171 4.534 30 10 CJEE CSCC1(CC2(C#N)CCC(C)CC2)CCC1 2251394828 QDOSVQFBBSFAQC-UHFFFAOYSA-N 251.439 4.630 30 10 CJEE N#Cc1ccc(CSCC2=CCCCC2)c(Cl)c1 2255142435 UJNYEULWXBVKPY-UHFFFAOYSA-N 277.820 4.945 30 10 CJEE C=CCCCSc1cc(Cl)ccc1C[C@H](N)CC 2259010158 QLEDZKDKEFNQQV-CQSZACIVSA-N 283.868 4.678 30 10 CJEE C=C(C)CCCC[C@@H](O)Cc1ccc(F)cc1Cl 2259185960 ZQHQHIZRYOIXMX-CQSZACIVSA-N 270.775 4.519 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1CCC(SC)CC1 2259207902 XZYAJXOKPQJUQY-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@H](O)C1CC2(C1)CC(C)(C)C2 2259236576 DRSKWMTWMCWBEL-HNNXBMFYSA-N 250.426 4.700 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2261108911 IOTRWUWTLCINIP-HNNXBMFYSA-N 282.214 4.577 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C)C(C)(C)O1 2263650668 VSDDHJOCWMZNAG-GOEBONIOSA-N 255.446 4.630 30 10 CJEE CCCCCCCCC[C@H](C)[C@@H](F)C(=O)OCC 2263660861 KDGOUIQWJMFZFG-UONOGXRCSA-N 260.393 4.664 30 10 CJEE CCCCCCCCC[C@H](C)NCCCOCC 2263717325 GUUCSMXBGPXEDN-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=C1CC(CC[C@H]2CCC[C@H](C)C2)(CNCCC)C1 2265041026 IPCCORIIYIZTQI-DOTOQJQBSA-N 263.469 4.929 30 10 CJEE CCCCCCC[C@](C)(N)c1cc2cccnc2s1 2265453683 NLGGHFXXAYZVLF-INIZCTEOSA-N 276.449 4.831 30 10 CJEE CC(C)c1ccccc1Oc1c(F)cccc1C#N 2265748979 LEZVUTFNJYJKNW-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE C=C(C)CCCCOc1ccc(Cl)cc1[C@@H](C)NC 2271792552 VKFGLMMFLBIDOZ-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCCCC[C@H](NN)[C@@]12CCCC[C@H]1CC2 2273374280 ZYAJBMTUPJGVBW-YESZJQIVSA-N 266.473 4.539 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H](C)CC(C)(C)C 2273971523 MPONDUKOEPKLSG-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CCC[C@H]1CCC[C@](O)(C#CC2CCCCC2)CC1 2274053259 OZJIHGYSWJEHAX-FUHWJXTLSA-N 262.437 4.682 30 10 CJEE CC(C)c1ccccc1C(=O)CC#CC1CCCC1 2274164583 LVPHPXJEBIVTKD-UHFFFAOYSA-N 254.373 4.576 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC1(C)C)OCCCN 2276750113 OYTZOCWXMWSRBL-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCC[C@](C)(CC=C)OCCCN 2276831375 DYMVJKRXGGZORN-KRWDZBQOSA-N 267.457 4.603 30 10 CJEE C=C(C)CCCC[C@@](C)(CCC(C)C)OCCCN 2276894502 QUJYMZXWRWUNEW-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C(CC)CC1(OCCCN)CCCCCCCC1 2277093196 JKSZOMORQKIOCJ-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@]1(C)CC[C@@](C)(C(=O)O)O1 2278128310 XFRMGPKOZGWATI-CVEARBPZSA-N 270.413 4.540 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@@H]1OC 2278232452 DHRYAPHMNWTVKU-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCN[C@H]1C(C)C 2279459056 FMVVMNZJNKUZAM-SQNIBIBYSA-N 283.500 4.512 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1C 2284071609 VDGHPVPUBOWHLU-KRWDZBQOSA-N 289.850 4.905 30 10 CJEE Cc1cc(F)ccc1[C@H](C)Nc1ccc(C#N)cc1Cl 2285226507 FZRYUZUPLJPPIL-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=C(C)CCCC[C@@H](N)Cc1cccc2ccccc12 2287417924 AYXWMIKIZGUXSY-GOSISDBHSA-N 267.416 4.846 30 10 CJEE CC[C@](N)(C#CC1CCCCC1)C1CCC(C)(C)CC1 2289700323 LGDGRQYDXBPVBY-IBGZPJMESA-N 275.480 4.894 30 10 CJEE CCCC1CCC([C@H](C#CC2CCCCC2)NC)CC1 2289701451 XHZOYPFKUAIWLW-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H](C)C1CCCC1 2289788178 QRIASFMNOAEKOY-VQIMIIECSA-N 275.480 4.765 30 10 CJEE CC(C)CNC[C@@]1(CC#CC2CCCC2)CC=CCC1 2289900318 BHCNYPWKXXPGHB-IBGZPJMESA-N 273.464 4.542 30 10 CJEE CC1(C)CCC(C)(C)[C@H](CC#CC2CCCCC2)C1=O 2290331177 PSSKNNIULHZQAT-MRXNPFEDSA-N 274.448 4.992 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC=CCC1)OCC(=O)O 2291604510 PJEONFRZOVUACY-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@]1(OCC(=O)O)CC[C@@H](C)C1 2291809780 MVLUEFXWITVPTG-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CCC1CC(F)C1)OCCN 2292616235 IOQJVGQTNQTPFF-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@@H]1CCCC(C)(C)C1 2292797154 NDVOQEPXJUQYGR-SJORKVTESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@H]1C[C@@H]2C[C@@H]2C1 2293196081 VHGCEVBAMMPPKM-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@]2(C)C[C@@H]12 2293465337 CAOLRHZIVVKHHU-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1ccc(C)s1 2293574531 VIRXOWDXWVZBBV-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)c1cscn1 2293732608 YNKUWFPPVUVJRO-MRXNPFEDSA-N 298.496 4.690 30 10 CJEE C=C(F)C[C@](CC)(OCCCN)C1CCC(C)(C)CC1 2294644247 ZNHWQJRBXNDKPL-KRWDZBQOSA-N 285.447 4.590 30 10 CJEE CC(C)n1c(C=CC(=O)c2ccccc2)nc2ccccc21 2294869034 BKWPFIPWSVJKPC-UHFFFAOYSA-N 290.366 4.513 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(O)C#Cc1ccccc1Cl 2295234562 MTSPLFRGKUYVIS-SJLPKXTDSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ncc(CC)[nH]1 2295669679 XXNHARCWYAEZRH-OAHLLOKOSA-N 279.472 4.591 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccccc1 2295673439 HYNJQRQJGOWGMG-MSOLQXFVSA-N 277.452 4.578 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@]12CCCO2 2295681153 DUICPUCJBOXDQT-BZSNNMDCSA-N 281.484 4.817 30 10 CJEE CC(C)=CCC[C@@H](C)OC[C@H](CS)C(C)(C)C 2302765791 NRCHTGJWHYJATH-ZIAGYGMSSA-N 258.471 4.730 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1csc(C(F)F)c1 2304045892 KJTKTLKUTSSNAS-CABZTGNLSA-N 259.365 4.549 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1C[C@H]1C(F)(F)F 2310530371 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CCCCCCCN(C)C(=O)c1ccc(F)cc1Cl 2340759135 ZGYYGGKIZMMJQG-UHFFFAOYSA-N 285.790 4.522 30 10 CJEE C[C@@H]1C[C@@H]1CCCCN(C)CC1(CS)CCCCC1 2342930109 KLHYWQRJRHKDGT-CVEARBPZSA-N 283.525 4.625 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343071596 ZCFGBPFXFIBRJW-IKGGRYGDSA-N 263.469 4.805 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCCCC1(F)F)NCCC 2344339925 NCXFBOIOQHAQEQ-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC(C)(C)C(F)(F)F)NCC 2344343760 PRDYYQNVTCNWSU-JSGCOSHPSA-N 279.390 4.936 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2344356859 OIQBEEYJWWHSBT-LEUOFYLZSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H]1CCCc2ccccc21 2344421705 SSWVEJSZDLZUJL-OAHLLOKOSA-N 256.389 4.668 30 10 CJEE CCc1ccccc1COC[C@@](C)(CS)C(C)(C)C 2352173768 LBHUQCFGOLZEMS-KRWDZBQOSA-N 280.477 4.748 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(C)ccc1C(C)C 2352920997 GETOYZIBNWVGEM-KSSFIOAISA-N 259.437 4.981 30 10 CJEE CSc1cc(Oc2ccc(F)cc2C)ccc1C#N 2353830731 OAWHQQGZFWPVFY-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CSc1cc(N[C@]2(C)CCCC[C@@H]2C)ccc1C#N 2353844104 CBNROIDPDJSZBI-BLLLJJGKSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1[C@@H]2CCO[C@@H]21 2355541998 CGXACRHMSBAOKM-MHORFTMASA-N 282.468 4.693 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CC1CC1 2360372651 VCXZMEFDRBMEPA-GOEBONIOSA-N 284.440 4.643 30 10 CJEE CCCCCC[C@@H](C)OCCCOc1ccccc1C#N 37138623 VQFUCNTYFBCWHL-MRXNPFEDSA-N 289.419 4.703 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 37936781 ISUJUWMSDZWWJU-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE N#C[C@@H](C(=O)c1csc2ccccc12)c1ccccc1F 42891408 KVNGQXQCCASZGZ-CYBMUJFWSA-N 295.338 4.530 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(F)ccc1OC 59462116 HKMKGRVYXTYEEX-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCC[C@@H](C)CC(=O)[C@H](C#N)c1nc(C)cs1 70031184 FKKLIFMPSXOHID-OCCSQVGLSA-N 292.448 4.624 30 10 CJEE CCCCOc1ccccc1-c1cc(CC#N)c(C)s1 77094406 MHZYDOCFNARICX-UHFFFAOYSA-N 285.412 4.969 30 10 CJEE CC(C)(C)c1ccc(NC[C@H](C#N)c2ccccc2)cc1 80748395 STHYMGKJAICBQH-INIZCTEOSA-N 278.399 4.703 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)CC1 86891544 GRCZSLKJRYBKLT-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE C[C@@H]1CCC[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)[C@@H]1C 91887203 LBLDCMHLJAPSHT-PRFCVVAOSA-N 291.479 4.920 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)NC[C@@H]1C 95696704 DPOKBVQVUNGUHP-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=C(CC)C[C@@H](CCCc1cccs1)NCCC 97283901 UMPLIWUFSDDKNK-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE CCCCCCCNCCOc1ccc(C(C)C)cc1 100027108 PQSRDKYUEWKPTC-UHFFFAOYSA-N 277.452 4.749 30 10 CJEE CCC#C[C@@H](C)Cc1cc2c(cc1Cl)CCCC2 107568910 BHMJRVINEXVKCF-CYBMUJFWSA-N 260.808 4.811 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc2c(cc1Cl)CCCC2 107568964 BTOODIFCMCDGDK-STQMWFEESA-N 260.808 4.982 30 10 CJEE C#CC[C@@H](CC)c1cc(C)cc(C(C)(C)C)c1OC 107671783 ZPDNMAGYOGBANT-CQSZACIVSA-N 258.405 4.818 30 10 CJEE N#Cc1c(Cl)cccc1NCc1cccc2ccccc12 110258157 PRPBAXREBQVWPW-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CCCCCCCCCCn1ccc([C@@H](C)N)c1 118239398 XQRADZXLKBQTDQ-OAHLLOKOSA-N 250.430 4.649 30 10 CJEE CCCCCCC[C@H]1OCCC[C@H]1CNC(C)(C)C 118605682 IHLRXOFUKMYHCT-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)N)cc1C 122571557 OAJFKYHBEQCDBP-HNNXBMFYSA-N 263.425 4.754 30 10 CJEE CCCCCCCCCCC[C@H](CC1CCC1)NN 123308676 RFXDFVVIYBCIGH-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCNc1cc(OC)ccc1F 125315983 CJYJHXIVKRBLGT-UHFFFAOYSA-N 267.388 4.997 30 10 CJEE CCCCCCCCC[C@@H](Cc1cccc(C)c1)NN 125847534 PDBNSGAFDIHPJD-SFHVURJKSA-N 276.468 4.510 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(F)(F)F 126107905 AELGPBMTCTWIOL-ZDUSSCGKSA-N 282.394 4.692 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)[C@@H]1CCCNC1 126205094 YHCSKYBJCHPGCW-MRXNPFEDSA-N 281.484 4.722 30 10 CJEE CSc1cccc(N2C[C@@H](C)Cc3ccccc32)c1C#N 136665227 NEAWGKPGNJMBBP-ZDUSSCGKSA-N 294.423 4.610 30 10 CJEE CCCCCCC[C@@H](NCCC)c1scnc1C 139601109 MVOHBFPOXIFTGM-CQSZACIVSA-N 268.470 4.853 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(F)cc(Cl)c1 161088325 KNIWVCIAVZMQPN-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1ccnn1C 165818952 KHGFNBWMLYIIFK-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE Cc1cc(C#N)ccc1Oc1c(C)cc(Cl)cc1C 203439890 ZHFCCDLTUMFBBC-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE C=CC[C@H]1C[C@H](CCC)CC[C@@H]1CNCC(C)C 219556700 KMNKMPUKCOKCLG-IXDOHACOSA-N 251.458 4.641 30 10 CJEE Cc1cccc(C#N)c1N[C@H](c1cccs1)C(C)C 221030026 SCSYKQBGEAVLSD-HNNXBMFYSA-N 270.401 4.737 30 10 CJEE CCCCCCCCCCOc1cnn(CCC)c1 228144788 BGAOKFTXVNDPQX-UHFFFAOYSA-N 266.429 4.813 30 10 CJEE C=CCCCCC[C@@H](N)CCCc1cccs1 236314576 PJJBEVZDHQSDHE-CQSZACIVSA-N 251.439 4.535 30 10 CJEE C[C@@H]1C[C@@H](OC[C@H](CS)c2ccccc2)CC(C)(C)C1 251768749 DYPNFSUNXVIUGC-DJIMGWMZSA-N 292.488 4.931 30 10 CJEE N#CC1(c2c3ccoc3cc3ccoc23)CCCC1 260784004 YBCFMLZNGDNOTR-UHFFFAOYSA-N 251.285 4.514 30 10 CJEE CC[C@H](C#N)c1ccc(OCc2ccccc2)cc1C 309819414 ZBGZZMIXIILIGP-MRXNPFEDSA-N 265.356 4.591 30 10 CJEE C=C([C@H](CCCCCCCCC)NC)C(F)(F)F 310970362 DDNHGSWTPGKUPR-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE CCCCCCCCCCN1[C@H](CN)C[C@@H](C)C[C@H]1C 312414684 XPDNDKVDFWXZGX-KSZLIROESA-N 282.516 4.575 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCCC23CCCC3)C1 312501813 FECRXBIFOUQQSP-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2cc(C)c3ccccc3n2)C1 312661547 MIEHFOLXVLJZCC-KSSFIOAISA-N 264.372 4.515 30 10 CJEE CCCC1CCC(C=O)(CC#Cc2ccccc2)CC1 317641651 YLNBYWFEQQVRPC-UHFFFAOYSA-N 268.400 4.604 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Sc1ccc(Cl)cc1Cl 322727146 ULONZPIXCTXKKO-KWQFWETISA-N 272.200 4.778 30 10 CJEE CCCCCCCCCCNC(C)(C)CCCN(C)C 387297504 JDUQWCRCDFYMOM-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)cc1C 387623261 RGSGEXMSOXEHLN-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)C2(C)CCCC2)CC1 394780055 LARNUHGEFKMHQJ-CSLYMUCUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC(=O)COCc1ccccc1 395536427 SUGGFKAAEFLYRS-UHFFFAOYSA-N 262.393 4.523 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)c(F)cc(F)c1F 395908640 YMCLKCBVNLDEFM-LBPRGKRZSA-N 291.332 4.993 30 10 CJEE CCC[C@](C#N)(Nc1ccccc1Cl)[C@@H]1CC1(C)C 397686253 LPFQHEXYXZTIQX-GDBMZVCRSA-N 276.811 4.860 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccccc1Br 398112235 NNVCGVYDFVSRLS-CHWSQXEVSA-N 296.252 4.845 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 410895793 ZESHBFWHYQINDE-JKSUJKDBSA-N 273.420 4.587 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1Cl 542826977 QAZMUOFKTMFUJU-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C 557384535 UOPUADLJQABLKT-LSDHHAIUSA-N 291.483 4.732 30 10 CJEE C#CCCCCC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C 686698430 XFAUFTBKOXUFFB-JFIYKMOQSA-N 263.469 4.621 30 10 CJEE CCC(CC)OCC1(C=O)CC(C)(C)CC(C)(C)C1 687990855 OLPOWYXABFYYML-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE CC1(C)CCC(C#N)([C@@](C)(O)CC2CCCCC2)CC1 689818685 KWNRKHXVBAMOTA-KRWDZBQOSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 692227731 SARRTDJKEMXVGB-MUDKKEKZSA-N 275.480 4.926 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc2ccccc2n1 692233771 DYXLSCWGHOPXEH-HOCLYGCPSA-N 266.388 4.782 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1CCC(CSC)CC1 692274541 BVJQFLLURYGUGG-ODZFXCKXSA-N 281.509 4.633 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCC12CCCCC2 694468640 KYOMPHFELFFCCM-MRXNPFEDSA-N 272.367 4.531 30 10 CJEE CCCCCCCCO[C@@H](CC)CNC(CC)CC 695083728 YZGZZIVKMPJICW-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C[C@H](CCC#N)n1ccc2c(Cl)cc(Cl)cc21 695813393 SVBFDXGYAQSGNC-SECBINFHSA-N 267.159 4.813 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@H](CS)c2ccccc2)CC1 697835171 IHEBLZUJZZWMPD-NXHRZFHOSA-N 291.504 4.601 30 10 CJEE CN(C[C@@H]1C[C@@H]1C(C)(C)C)CC1(CS)CCCCCC1 699890153 IMGCQCINLNDCDH-HOTGVXAUSA-N 297.552 4.871 30 10 CJEE N#Cc1ccc(Cl)cc1NCC(C1CCC1)C1CCC1 704476108 UEXRWMWVQMUZOI-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCSC1)NC 708762167 GBCCUGRZYXNGFL-CVEARBPZSA-N 271.514 4.858 30 10 CJEE C=C(Cl)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 710555911 HZZDUDUTNXWIIW-NSHDSACASA-N 292.637 4.657 30 10 CJEE C=C(Cl)C[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712575164 ZPYSTJXFRDIGJE-JTQLQIEISA-N 298.135 4.762 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cc(Cl)ccc21 717654853 JZGCIBFUWIXUQB-UHFFFAOYSA-N 280.824 4.680 30 10 CJEE CC(C)C(C)(C)CSc1nc2c(cc1C#N)CCCC2 718784084 SDGVRJXLJAIUTR-UHFFFAOYSA-N 288.460 4.606 30 10 CJEE C[C@H](Oc1cc(Cl)ccc1C#N)C1CCCCC1 719752569 BIPGHKTXGOTIEE-NSHDSACASA-N 263.768 4.559 30 10 CJEE C=C1CCC(C[C@H](N)Cc2ccc(Cl)cc2Cl)CC1 724549872 QVSWAELJSBXTJZ-HNNXBMFYSA-N 298.257 5.000 30 10 CJEE CCc1ccccc1C#Cc1c(Cl)cccc1Cl 725434723 POLCIQMDISNZRC-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCCc2nc(O)ccc21 809728785 HUJLGAYKFGANHL-GDBMZVCRSA-N 290.451 4.503 30 10 CJEE Oc1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 1084545916 JFOLPDSURMGXFI-UHFFFAOYSA-N 296.757 4.587 30 10 CJEE C=CCCCCCCNC(=O)C[C@@H]1CCCc2ccccc21 1128844548 CAHFSKLEYVAAIA-SFHVURJKSA-N 299.458 4.749 30 10 CJEE C=CCCN(C1CC1)[C@H](C)c1ccc2ccccc2c1 1167347333 KQHHEDVAFHQXLM-OAHLLOKOSA-N 265.400 4.941 30 10 CJEE C#CCCCCCCN[C@H](c1ccccc1)C(C)(C)C 1167700274 OGHMVPXRQWZZQO-GOSISDBHSA-N 271.448 4.947 30 10 CJEE C=CCCCCCCNCc1cc2cc(OC)ccc2o1 1202350263 XXDVDCKSRUPHPK-UHFFFAOYSA-N 287.403 4.668 30 10 CJEE C=CC(C)(C)CCNC/C=C\c1c(C)cc(C)cc1C 1203235592 SAMJHITVRUNRQY-HJWRWDBZSA-N 271.448 4.817 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cscc1Cl 1208823363 NSPHGICPBOSMHW-PWSUYJOCSA-N 298.839 4.658 30 10 CJEE C=CCCCCCCCN1CCC[C@H]1c1ccncc1 1209438995 FDDSWOSMKRKTQI-SFHVURJKSA-N 272.436 4.745 30 10 CJEE C=CCCCCNC(=O)c1cc2c(ccc3ccccc32)o1 1270033130 GHAROBWFMSPPBY-UHFFFAOYSA-N 293.366 4.672 30 10 CJEE C=CCCCCNC(C)(C)c1cccc(C(F)(F)F)c1 1307780955 YKTSSNJMZGUYHR-UHFFFAOYSA-N 285.353 4.886 30 10 CJEE C=CCCCC[C@H](C)NCCc1ccc(SC)cc1 1308726857 MXBPBWHHIXKHKZ-HNNXBMFYSA-N 277.477 4.676 30 10 CJEE C=CCC1(NC/C=C\c2ccc(F)cc2)CCCCC1 1461504010 ZBZBSOBNDUDOOO-SREVYHEPSA-N 273.395 4.708 30 10 CJEE C=CCCCCCCNC(=O)N[C@H]1CCCC[C@H]1CC=C 1470101555 LXGQOAUEFRZFFU-SJORKVTESA-N 292.467 4.557 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(C)C)nc1C 1473637952 NTOCBUOJVJYPNB-VQIMIIECSA-N 286.463 4.738 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2CC)c1 1477188705 PQRKIYMCJXJPEV-HOCLYGCPSA-N 286.419 4.668 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCCC)CCCC 1478964493 QFAOWMOUOBMNBR-SJORKVTESA-N 294.483 4.733 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC(CC)(CC)c2ccccc21 1534421191 KSPUPSQIOZTTMI-UHFFFAOYSA-N 285.431 4.693 30 10 CJEE C=CCCCC[C@@H](C)NC[C@H](CC)CC(F)(F)F 1560888855 GMOLWEVZDDJMAT-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CCCCC[C@H](C)NCc1ccc(C(C)(C)C)o1 1560971553 IPDZSJUVPLZAFS-AWEZNQCLSA-N 263.425 4.802 30 10 CJEE C=C[C@@H](C(=O)NC1CCC(CC)(CC)CC1)c1ccccc1 1568472462 RAGGSRBQKFXJBH-GOSISDBHSA-N 299.458 4.821 30 10 CJEE C=C[C@@H](OC(=O)c1cscc1C(F)F)c1ccccc1 1586193772 CAVYPATZUAVENM-CYBMUJFWSA-N 294.322 4.770 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc2c(ccn2CCC)c1 1598071502 ORAOCRWGZAKAPM-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)c1cccc(C(F)(F)F)c1 1598441321 RCCMKSRREJRMAL-LBPRGKRZSA-N 299.336 4.661 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CCC[C@@H](CC)C1 1621139941 ZYAZJPNGYXAPJP-IEBWSBKVSA-N 271.448 4.891 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1624824454 OFIWVDDXAWNFKO-AEFFLSMTSA-N 299.458 4.631 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(SC)s1 1651319259 GBTFSJDSADLBBS-TZMCWYRMSA-N 281.490 4.695 30 10 CJEE C#CCCCCCCNC1CC(C)(C)CC(C)(C)C1 1652032258 YDXKSBKWEQMVCN-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCCN[C@H]1CCOC2(CCCC2)C1 1656348414 IHKOEZGJLITUSN-SFHVURJKSA-N 293.495 4.985 30 10 CJEE C#Cc1ccc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)cc1 1656988354 VYYRIIVBTFFTFF-IBGZPJMESA-N 295.401 4.684 30 10 CJEE C#Cc1cccc(N[C@H](C)[C@H]2CCC(C)=C(C)C2)c1 1664195094 VIYCJXAPTBTWJI-WBVHZDCISA-N 253.389 4.605 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](CC)c1ccccc1 1665224320 VUNNINCNLZWJBA-BHIYHBOVSA-N 271.448 4.905 30 10 CJEE CC1(COCC2(CS)CCCCCC2)CC(F)(F)C1 1876919950 ANHIDVCBVFBRMV-UHFFFAOYSA-N 292.435 4.709 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](CC)COC 1879037746 XASDRILJJXZGLK-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC1=N[C@@H](C(=O)O)C(C)(C)S1 1882716580 LKVLRABRJKKFPD-ZDUSSCGKSA-N 285.453 4.504 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1883432051 LBLOQEONFWUWMG-DFBDCSAJSA-N 263.469 4.713 30 10 CJEE C=C1CCC(CN2[C@H]3CC[C@H]2c2ccccc23)CC1 1884400963 YJZGVCAQJAANMK-ROUUACIJSA-N 253.389 4.625 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc(C)cc(C)c1 1885244652 LYZMFDMTVWPLPR-SFHVURJKSA-N 257.421 4.538 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CC(C)=C[C@@H](C)C1 1885245766 XILUMDUROGGHHH-NJAFHUGGSA-N 261.453 4.541 30 10 CJEE C=C1CC(CNc2ccccc2OCc2ccccc2)C1 1885759867 RDGYLEBGDSKAHW-UHFFFAOYSA-N 279.383 4.644 30 10 CJEE CCCCCCCCN(C)Cc1cc(F)ccc1F 1887068851 WTXQABBJFPMFAE-UHFFFAOYSA-N 269.379 4.757 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1889394789 XXKAEWRRPFRXSR-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(C)=O)cc1Br 1899387938 SKCPXIFCPHQXQW-SECBINFHSA-N 299.233 4.708 30 10 CJEE CC[C@](C)(C#N)Cc1ccc(Cl)c(Cl)c1C 1900972937 UJEJCDJLNHJUBZ-ZDUSSCGKSA-N 256.176 4.784 30 10 CJEE CCCCCCC[C@@H]1NCCC[C@H]1[C@H](F)C(F)(F)F 1909084697 ANVCCYRNDPXRPU-AGIUHOORSA-N 283.353 4.616 30 10 CJEE C=C[C@@H]1CCCCN1c1ccc([C@@H](C)NCC)c(Cl)c1 1916784454 OPQYRYFAEIGWTR-ZIAGYGMSSA-N 292.854 4.555 30 10 CJEE CC[C@@](O)(c1cccc(Cl)c1)[C@]1(C#N)CCCC1(C)C 1921044373 FGTNKYMESPVHFJ-DLBZAZTESA-N 291.822 4.658 30 10 CJEE C=C([C@H](NCCC)C1(OC)CCCCCC1)[Si](C)(C)C 1922961476 ANEFSKOWNACDTH-INIZCTEOSA-N 297.559 4.528 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H](C)C1CCCCC1 1924121639 LKRIMIJEOBMRHD-ZFWWWQNUSA-N 257.849 4.714 30 10 CJEE C=CC[C@H]1CCCN1c1cccc(Cl)c1[C@H](C)NCC 1925155938 VREHOAVHZXNSIB-KBPBESRZSA-N 292.854 4.555 30 10 CJEE CCCCCCCCCC[C@H](N)C1(SC)CC1 1948990799 GICZRTJVEKXWKS-AWEZNQCLSA-N 257.487 4.740 30 10 CJEE C=CCSCc1cc(Cl)c(C)c(Br)c1 1956480714 MMPJBYRCJVBSAR-UHFFFAOYSA-N 291.641 4.830 30 10 CJEE C=CCN(Cc1ccccc1)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 1960207853 LRVRWIBSODTTPJ-YZGWKJHDSA-N 296.458 4.783 30 10 CJEE CCCCCCCCCCN1CCO[C@H]2CCCC[C@H]21 1963222256 FCLGSFKTPZMVSN-MSOLQXFVSA-N 281.484 4.771 30 10 CJEE CCc1cc(OCc2ccc(C#N)c(C)c2)ccc1Cl 1968358170 JBXVVBGYPDMRDC-UHFFFAOYSA-N 285.774 4.662 30 10 CJEE CC1(C)CCCC[C@@H]1CNc1cccc(Cl)c1C#N 1970079852 NQSMEEYSJXWXRV-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C=CCCCCNc1cc(Cl)ccc1Br 1975332023 BFLVFDIKUVUICJ-UHFFFAOYSA-N 288.616 4.871 30 10 CJEE N#C[C@]1(Cc2ccc(Br)s2)CCCC12CC2 1981840406 JIBLORRXOYWGLG-CYBMUJFWSA-N 296.233 4.527 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1sccc1F 1996469646 IYRKGXKVVKJPPL-WCQYABFASA-N 255.402 4.530 30 10 CJEE C=C1C[C@H]1COc1ccc2cc(Br)ccc2c1 1996752944 PSFGFLHHVXEVPV-ZDUSSCGKSA-N 289.172 4.557 30 10 CJEE CCCC[C@@](C)(C#N)Cc1cc(F)cc(Br)c1 2000513690 KCZJQCWVURWNBC-CQSZACIVSA-N 298.199 4.851 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cscc1Cl 2000521970 ZSRMCYFEKLXZTE-QWHCGFSZSA-N 271.813 4.545 30 10 CJEE C=CCCCCCC[C@@](N)(CC)c1cccs1 2026017880 UKGRERCTSRTFCJ-HNNXBMFYSA-N 251.439 4.839 30 10 CJEE C=CCCCCCCSc1cc(N)cc(F)c1 2026019207 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282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NC)c1sc(C)cc1C 2234198884 HNQMPPXJUQUHRR-IRXDYDNUSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1C[C@H](C)CO1 2235513161 IRNHQAIXQCLNIH-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cncc(C)c1 2235524917 VTVBCSDNXHHJCU-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)C[C@H](C)O[C@H](C)C1 2235525236 YVTYMJPIXPAUAI-PIIMJCKOSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCOc1ccc(C(=O)O)cc1C 2235534473 ZDEXTBPWMIXYRN-UHFFFAOYSA-N 276.376 4.599 30 10 CJEE C=CCCCCCCCN1CCCCC[C@@H]1C[C@H](C)O 2235538758 KXXCUNUKFZYYML-ZWKOTPCHSA-N 281.484 4.529 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1CCC[C@@H](C(C)(C)C)C1 2238150878 NUILFHSAOXYWJD-CVEARBPZSA-N 270.420 4.884 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(F)F 2239209501 XGEYRZBAYZMIMF-AIANPOQGSA-N 285.422 4.782 30 10 CJEE CC(C)(C)N(CCC#N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2239224168 IXZRWAGENZEDAK-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C=CCC(C)(C)COCC1(CNC(C)(C)C)CCCC1 2239366834 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C=CCC(C)(C)Oc1sc(CNC2CCC2)c(C)c1C 2280639852 VTAYLZISUMHNIT-UHFFFAOYSA-N 293.476 4.741 30 10 CJEE Cc1ccc(Cl)c(CNc2cc(C)c(C#N)c(C)c2)c1 2283382158 WHGJVAVNAGNDCL-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE CCCC#CC[C@@H](NCCC)c1c(F)cc(C)cc1F 2283513354 SRYCFQQTKGQCKE-MRXNPFEDSA-N 279.374 4.508 30 10 CJEE CCC1CCC(CN(C)CC=CC#CC(C)(C)C)CC1 2284180531 VCQYAIAVLFBLLQ-UHFFFAOYSA-N 275.480 4.740 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(O)CCC=CCC1 2285706981 MKFXCXABGHALME-QGZVFWFLSA-N 281.484 4.706 30 10 CJEE C=CCCCSCc1cc([C@H](C)NCC)ccc1OC 2287075443 DAIQAQWTZWHBCN-AWEZNQCLSA-N 293.476 4.565 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc2c(c1)CCCC2 2287417148 DADPMKIWTZMBSR-LJQANCHMSA-N 272.432 4.909 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@]12CCCC[C@H]1CC2 2288992831 TXNMROKHQLLOED-FHWLQOOXSA-N 275.480 4.909 30 10 CJEE C=C(Cl)C[C@@H](OCCCN)c1ccc(C2CCC2)cc1 2292890936 IAWVUTIYMHWHGZ-QGZVFWFLSA-N 293.838 4.503 30 10 CJEE C=C(C)CC1(OCCCN)CCC(C(C)(C)CC)CC1 2294180162 WOXJXITYPWYKSV-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@@]2(C(C)C)C[C@@H]12 2294361387 JUEQGIVGINFXMS-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE CCCCCCCCCCNC(=O)C=Cc1ccc(C)o1 2295399923 FUGRPPVKFCDLRZ-UHFFFAOYSA-N 291.435 4.858 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@@H](C(F)(F)F)CO1 2295535642 FMRPWSXGZIKLDD-KGLIPLIRSA-N 295.389 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1nccn1C 2295690420 BFDQKWOPDGKYAH-CVEARBPZSA-N 279.472 4.600 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(OC(F)F)c1 2295958688 WIYPKDYSGLVXTK-IUODEOHRSA-N 283.362 4.541 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](CCC(F)F)C(C)C)c1 2296292040 UFWUJODRHDKCIT-AWEZNQCLSA-N 280.362 4.602 30 10 CJEE C=CCCCCCCCCCS[C@H]1CC[C@H]1N 2300301384 XGVPUBLHBFYDGF-CABCVRRESA-N 255.471 4.516 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(CCC)s1 2300610596 JNRLPJUZPDGJNM-GXTWGEPZSA-N 251.439 4.563 30 10 CJEE C=CCSc1ccccc1N[C@H](C)CCSC 2301884133 BFBCNJJBCOMQPA-GFCCVEGCSA-N 267.463 4.518 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)C1(Cl)CCCC1 2302181268 VMBQPOUVZDEIRM-CYBMUJFWSA-N 257.849 4.509 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Cl)ccc1Cl 2302838708 GSQXDRCGDJEACJ-BXUZGUMPSA-N 270.203 4.610 30 10 CJEE CC(C)C[C@H](CS)COc1ccc(Cl)c(Cl)c1 2308060884 XSEFVQTXEJVNHA-JTQLQIEISA-N 293.259 4.964 30 10 CJEE CC(C)C[C@@H](CS)CSC1CCC(F)(F)CC1 2308061922 KQRCRKJABZXIBO-NSHDSACASA-N 282.465 4.890 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@@]2(C)C[C@@H]12 2311208430 ZEQAFPKJBGFZSL-ULQDDVLXSA-N 251.458 4.857 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1C[C@H]1C(C)(C)C 2313214006 GYHCJPUGTKAAHB-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)[C@]1(O)C[C@@H](C)Sc2sccc21 2316715352 NWRVJZNVGZPSOK-IAQYHMDHSA-N 280.458 4.588 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318353740 ZFJYNKOXIMEUOJ-ZANVPECISA-N 288.193 4.749 30 10 CJEE C=C[C@H](C)CCNCCCc1cc(Cl)cc(Cl)c1 2318616900 GDPMTOJIKOCLQL-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2319248252 CKIFEPUACBTYRV-IAQYHMDHSA-N 284.230 4.919 30 10 CJEE C=C(C)C[C@H](NCCC)c1c(Cl)ccc(F)c1F 2319289959 ZYSLPLCFXAJJAM-LBPRGKRZSA-N 273.754 4.625 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)C(C)(F)F)NCC 2321107583 HSUCHYWJEJVVKZ-LBPRGKRZSA-N 261.400 4.638 30 10 CJEE C=CCC(C)(C)[C@H](CCCC[C@@H]1C[C@H]1C)NCC 2321108447 POHKMDKHJVKGNK-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@@H](C)C(F)(F)F)NCCC 2321118606 UIUFBWUNAOKSIM-YNEHKIRRSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)c(F)c1F 2321126440 AMYUGGDEUDOYSD-ZIAGYGMSSA-N 273.754 4.610 30 10 CJEE C#CCCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2325245513 OTDPELGUECZTBE-AWEZNQCLSA-N 288.193 4.587 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H](CC)CCC)C1 2328279488 WLPPLVGSOBZPDM-MRXNPFEDSA-N 251.458 4.785 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332408797 OJIYXZFCWQWLTC-TZNCUMHOSA-N 263.469 4.713 30 10 CJEE SCC1(COC[C@H]2C[C@@H]3CC[C@H]2C3)CCCCCC1 2334879087 CSRUBCJJORNLOR-OWCLPIDISA-N 282.493 4.710 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(C)ccc21 2337067943 SKLWAQYJLCUVGO-GXTWGEPZSA-N 272.417 4.551 30 10 CJEE C#CC1CCC(NCC=C(C)CCCC(C)C)CC1 2338436937 LVQSUKHLZKMKQN-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCCC)CC[C@H](CC)C1 2338737626 FVMISGWXFUYBEK-WMZOPIPTSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCCC(F)(F)C1 2338740010 AZMQXJYSWMASSJ-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CCC(F)CC1 2338745643 YIVDWTIPCAMCNF-OFLPRAFFSA-N 267.432 4.651 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1cnc(CC)s1 2338750534 SYDYRVQUPAZJCE-MRXNPFEDSA-N 278.465 4.515 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1COCC1(C)C 2338977620 IWXIIVYUJIEVID-DOTOQJQBSA-N 270.457 4.551 30 10 CJEE C=CCSc1ccc(CNC(C)(C)C)c(C2CC2)c1 2339147551 NWMVQUHNVOPALM-UHFFFAOYSA-N 275.461 4.730 30 10 CJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)C(CC)(CC)CC 2339567184 LQXHCISKTRGEBV-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CCC[C@H](OC[C@H](CS)CC1CC1)c1ccccc1 2340545547 IMLYYFBWNMAOHZ-WBVHZDCISA-N 278.461 4.891 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1CC12CCC(F)(F)CC2)NCC 2341931979 VGSNLSFDYIFJMJ-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CC(C)(C)[C@H]1C 2342877087 UGUSUEAJCIMHNV-GJZGRUSLSA-N 285.541 4.869 30 10 CJEE C=CCCCCCCN(C)Cc1ncc(C(F)F)s1 2343513467 CRHCBBGHDODDOH-UHFFFAOYSA-N 288.407 4.649 30 10 CJEE COC(C)(C)C1(CC2(C#N)CCCCCCC2)CC1 2343716913 SNHWURWCHBAUQF-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)CCC(F)(F)C2)c1 2343769248 FDTTVNHYEYZCAJ-OAHLLOKOSA-N 263.331 4.682 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@H]1C1CCCCC1 2344359636 YVLLSZBWPGQVPR-FJIDUMEYSA-N 263.469 4.913 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CC12CCCCC2)NCCC 2344385076 NYGMBUPWSCRBDE-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(OC)c1F 2344418703 CEQJMITUPWBRNV-HNNXBMFYSA-N 284.758 4.663 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)C[C@H]1CCOC1 2353005360 ZXGCSXYYNMMTFD-JKSUJKDBSA-N 268.441 4.759 30 10 CJEE CSc1cc(NCC(C)(C)C(C)(C)C)ccc1C#N 2353836195 YDJNWASDOHRPNJ-UHFFFAOYSA-N 276.449 4.764 30 10 CJEE CCCCCCCCCCOC[C@]12CC[C@H](C[C@@H]1N)C2 2354516811 SFWQWKVQCVDRGN-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2C[C@H]2C2CCOCC2)C1 2357825316 MGHPYMOKAAKLCH-XYJFISCASA-N 275.436 4.549 30 10 CJEE CCC1CCC(C#N)(C[C@H]2OC[C@@H]3CCCC[C@@H]32)CC1 2358520383 VZVPKNPSORSHEG-NNCLKIPCSA-N 275.436 4.692 30 10 CJEE C=CCCCCCCCNC[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665507 HBSINYIISMVCPB-XHSDSOJGSA-N 285.422 4.784 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]23CCCC[C@@H]2CC3)C1=O 2359826274 QGVAYFAOPQGFGY-JLSDUUJJSA-N 273.420 4.636 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)OCC(=O)O 2359983757 GCNLUUHWEKIBHC-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1C[C@H]1C1CC1)OCCN 2360058936 SIGITUJQPLDSIT-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H](C)CC1CC1 2360326834 JMRDLVQLZXHOAZ-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 20078468 ZSDGOBABDMKYAF-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE Cc1csc(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)n1 37155758 ODJPFLNRTIOKAD-AGIUHOORSA-N 294.489 4.898 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)c(Cl)c1 37393148 JLEBGIDJDDWGTN-NSHDSACASA-N 250.773 4.592 30 10 CJEE C=CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1 38273478 BSBBZSSMXHNJAD-UHFFFAOYSA-N 266.425 4.737 30 10 CJEE C=CCc1ccccc1OCCCC(=O)c1cccs1 50161766 UOBFWIWFDNHICF-UHFFFAOYSA-N 286.396 4.519 30 10 CJEE N#C[C@@H](C(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 51172077 CMNORVXKIQZQQN-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1Cl 54822975 GHRPXNNAVQHRQH-ZWNOBZJWSA-N 283.202 4.878 30 10 CJEE C[C@H]1CCC[C@@H](CCNc2ccc(C#N)cc2Cl)C1 70539564 AREBUARJCFRELJ-STQMWFEESA-N 276.811 4.840 30 10 CJEE Cc1nc(-c2ccc(OCC(C)C)cc2)sc1CS 82421250 YIQFTQYNKVDGJF-UHFFFAOYSA-N 293.457 4.583 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87973394 YNMVPDBVHMXHKS-FZMZJTMJSA-N 267.294 4.578 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87996817 BYZSNRCITSCYPS-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE CCCC1CCC(C#N)(C2(O)CCC(C)(C)CC2)CC1 91886220 POCCLLKLRCPMKX-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)CCCCCCS 94579560 NKZREVZRUGMFOC-ZDUSSCGKSA-N 285.884 4.823 30 10 CJEE CC(C)(C)c1ccc(OCCS)c(C(C)(C)C)c1 94582449 KAEWEYRSCCCXCW-UHFFFAOYSA-N 266.450 4.590 30 10 CJEE C=C(CC)CSc1cccc([C@H](C)NCCC)c1 97209146 KHYWIJGPWAJVPH-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE C=CCCC[C@H](NC)c1cc2cc(F)ccc2s1 97220032 QWZIGJXFJDTBIL-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=C(C)C[C@@H](NCCC)c1oc2ccc(F)cc2c1C 97283229 KWWNECNVPCYSDZ-OAHLLOKOSA-N 275.367 4.887 30 10 CJEE CCCCCCCOc1ccc(CNC(C)(C)C)cc1 100026374 XFRIFSYKIPRNRW-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE C=CCCc1ccc(OCc2ccccc2)cc1C 107616746 SWBPAEQIDDZAFT-UHFFFAOYSA-N 252.357 4.693 30 10 CJEE CCC#C[C@@H](C)Cc1c(C)c(Cl)cc(C)c1OCC 107650319 XSZZEEXLXFHQOC-GFCCVEGCSA-N 278.823 4.948 30 10 CJEE CCCCCCCCC[C@H](Cc1cccnc1)NCC 109740716 DTKZBGJKFCHETN-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCO[C@@H](CNC)c1cccc(C)c1 110070293 YILDSWDNLAGFHC-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)cc1)NCC 110446516 JGDFMXAVFKARLW-KRWDZBQOSA-N 265.416 4.707 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccccc1F 112893995 PKLIFODWKYXAPO-INIZCTEOSA-N 265.416 4.836 30 10 CJEE CCCCCCCCCCOCC(N)(CC)CC 113088845 CXGVWRXRKINNNO-UHFFFAOYSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C#N 115857518 FFIKSNVMJUHBFH-IAGOWNOFSA-N 292.467 4.716 30 10 CJEE CCCCCCCCCC[C@@H](NC)C(C)(C)N1CCCC1 118144169 FDZVBZACBCGCJQ-GOSISDBHSA-N 296.543 4.980 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H](c1ccccc1)[C@@H](C)CC 122905437 MASOTVMHZFPKHR-YSIASYRMSA-N 285.475 4.988 30 10 CJEE CCCCCCCCC(=O)c1ccc(Cl)cn1 125064052 YRIUTLNQDQBOER-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE C=C(C)CC[C@H](Cc1cc(C)ccc1C)NCCC 125736228 UGLUCJWMCPFYKE-GOSISDBHSA-N 259.437 4.570 30 10 CJEE Cc1cc(F)ccc1CC1(C#N)CCCCCCC1 128631154 PCRVWALMVIVWHT-UHFFFAOYSA-N 259.368 4.931 30 10 CJEE CC1(C)CCc2ccccc2[C@@H]1Nc1ccccc1C#N 132593754 VLSLEVZSOFAYJY-SFHVURJKSA-N 276.383 4.684 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(F)cn1 150136226 UGBJZNBRRDFJDZ-INIZCTEOSA-N 267.388 4.569 30 10 CJEE CC1(C)CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 164009832 IEMRMLAINNXAAV-UHFFFAOYSA-N 296.336 4.958 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 185809829 UVLAZJBJYIMZDI-GFCCVEGCSA-N 299.336 4.722 30 10 CJEE CC(C)CC1(CNc2cccc(C#N)c2)CCCC1 227623891 DJVCTHGNDNBOFJ-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE Cc1ccc(C(C)C)c(Oc2cc(F)cc(C#N)c2)c1 227633696 FMURDAPFHXXEBX-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CCOC2(CCCCC2)C1 228760844 MZOWUQOMJBWIFA-SJORKVTESA-N 281.484 4.804 30 10 CJEE Cc1ccc(C#N)cc1OCC1(CS)CCCCCC1 232333327 JBQDWJQIHXSZHN-UHFFFAOYSA-N 289.444 4.516 30 10 CJEE C=C(CNCCCCCCC(C)C)c1ccccc1 232604255 HPQQALAAKPPDMT-UHFFFAOYSA-N 259.437 4.896 30 10 CJEE CC1CCC(C#N)(Cc2ccc(Cl)c(F)c2)CC1 232848811 NHRHAPUUHYIQRT-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCN[C@@H]1CCCc2ccc(O)cc21 232936031 RDPRJAPDLZRITR-GOSISDBHSA-N 275.436 4.720 30 10 CJEE C=CCCCCC[C@H](Cc1cccc(Cl)c1)C(=O)O 236455895 FNZLZNMRWYLOMB-CQSZACIVSA-N 280.795 4.720 30 10 CJEE CCCCCCCCCC[C@@]1(CO)C[C@@H]2C[C@@H]2C1 250817700 JVGJLRGMQUZROR-FVQHAEBGSA-N 252.442 4.926 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@H](CS)C(C)(C)C)C1 251934248 ZOXKODLUWHWUGB-MCIONIFRSA-N 258.471 4.564 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCCC 252746936 BYNGQMPIDHZBGW-KURKYZTESA-N 263.469 4.622 30 10 CJEE Cc1ccc([C@H](CC#N)C2CC2)cc1OCc1ccccc1 260564366 FFUBJUWBYOMXHK-LJQANCHMSA-N 291.394 4.981 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCCSC1 310205237 CRAMUGRUQJRGRZ-CABCVRRESA-N 258.471 4.631 30 10 CJEE CCCN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 312637078 ZILGSFCOXGCNFC-YESZJQIVSA-N 278.484 4.709 30 10 CJEE CCCCCCCCOCc1ccc2c(c1)CCCN2 313112571 ZKMTXRXKVYJABS-UHFFFAOYSA-N 275.436 4.922 30 10 CJEE CC(C)C1CCC(C=O)(Cc2ccccc2Cl)CC1 316763112 CUPSHKREQLKLSM-UHFFFAOYSA-N 278.823 4.914 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CCCC[C@@H]1C 318592973 YPDFMSHJUJUMCI-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2cc(C)nc3ccccc23)C1 380597448 MSAYOJQNEBYONL-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccc(Cl)nc2)CC1 381675155 RKDRTCRATZPUKM-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CCCCC1(F)F 381891007 LIARHOORQAVQFH-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)cc(Cl)c1 384935409 DKGHBWVXAAMHAV-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccccc1C(F)(F)F 384988550 KIXFWXSMSSHTCZ-WFASDCNBSA-N 281.321 4.968 30 10 CJEE C=C(C)CCNCc1cccc(Oc2ccccc2)c1 387446491 QBVIGPYLRNRMNN-UHFFFAOYSA-N 267.372 4.535 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1cccc(Cl)c1Cl 397578613 DFITZICZEVWXLG-VIFPVBQESA-N 271.191 4.591 30 10 CJEE C[C@@H](CN(C)CC1(CS)CCCCCC1)C(C)(C)C 399732563 UGEAVWJRKJMERB-HNNXBMFYSA-N 285.541 4.871 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@@H]1CCNC1 400337377 HTZXWZBCPZCBLO-HZPDHXFCSA-N 257.437 4.855 30 10 CJEE C=CC[C@H](CNCCC)C[C@H](CC)CC(F)(F)F 402552459 GPUFQQWAFRRONC-STQMWFEESA-N 265.363 4.547 30 10 CJEE N#CCc1ccnc(Cl)c1-c1cc(Cl)ccc1Cl 514261819 XVTNWALITQNCFT-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CSc1cc(F)c(C(F)(F)F)cc1C(F)(F)F 575340249 SWOZGRKKGDHXSB-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE C=CCCC(C)(C)NC(=O)c1c(Cl)oc2ccccc12 620864709 LNRSAFCOPOZQFN-UHFFFAOYSA-N 291.778 4.561 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@H]1C 686480030 SXMWBINWTVAGOL-FJIDUMEYSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H](C)CC(C)C 686690652 FBWGXRBZQKAVNO-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@]1(CNCC(C)C)CCC[C@@H]1C 686703198 XDKNSQXDCNXXRC-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CC1(C)CCC[C@@H]1C/N=C1/NC2(CCCCC2)CCS1 687321084 BUBNDBZKHZXSFP-CQSZACIVSA-N 294.508 4.598 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@H](C)SC1 689642201 OBDDVKJSGCCBFE-KKUMJFAQSA-N 257.487 4.609 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC(F)(F)C1 692240845 QSSCWBCTEXDYEV-ZNMIVQPWSA-N 271.395 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)c1ccccc1 692264718 SKHBLXIMMZLOEJ-NXHRZFHOSA-N 257.421 4.515 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1ccc(N)cc1 696517435 TWOZCDPSISKONP-SFHVURJKSA-N 277.452 4.703 30 10 CJEE CCCCCCCCC[C@H](NN)c1cnc(C2CC2)s1 699855399 QVKQZKRNFCLCAS-AWEZNQCLSA-N 295.496 4.666 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)CCC(C)C 704464228 IVPAHTORLIZDJG-INIZCTEOSA-N 269.473 4.850 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CC[C@H]2CCC[C@@H]21 708043914 YJKQBTWLZOGYGH-IXDOHACOSA-N 295.536 4.767 30 10 CJEE C=C(CC)CC(=O)c1c(Cl)cccc1C(F)(F)F 712539531 DPJURAXOXXQODD-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE CCC(CC)(CC)C/N=C1/NC2(CCCCCC2)CS1 713254853 PADOYQSUXVCOBJ-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H](C)COCc2ccccc2)C1 719594019 WRANXHBUCWIAIW-ZHALLVOQSA-N 288.431 4.625 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)NC12CCCCC2 721051764 HNLSSLSWUCAWCN-INIZCTEOSA-N 265.441 4.576 30 10 CJEE C=C1CCC(CNc2cc(CC)ccc2CC)CC1 724549827 KWQGYXINPWKEGE-UHFFFAOYSA-N 257.421 4.970 30 10 CJEE C=C1CCC(COc2cccc(F)c2Br)CC1 724573093 GVCICMSFCQCALT-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE CCc1c(C(C)=NNc2ccc(C)cn2)oc2ccccc12 727262927 DNOFDAMPIUWVEZ-UHFFFAOYSA-N 293.370 4.535 30 10 CJEE C=CCCC[C@H](N[C@H](C)c1cccnc1)c1ccccc1 883326657 IGKSSDTVLWEPDR-APWZRJJASA-N 280.415 4.830 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CCC1 1125600304 SBPZNATVLZAFTH-IKGGRYGDSA-N 291.479 4.557 30 10 CJEE C=CCCC[C@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 1125674516 GAYGBBAWGSIXAM-KRWDZBQOSA-N 287.447 4.631 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1CC 1128305686 YOHSLZONCJFCEP-GOEBONIOSA-N 271.404 4.570 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(O[C@H](C)CC)c2)CC1 1129371547 XSYZYKXDKSHIPY-CQSZACIVSA-N 287.403 4.549 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](C)c1cnc(C)s1 1183269543 NDOGYMHHFSEMHV-CHWSQXEVSA-N 266.454 4.627 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C 1191373289 AHOSRHQFECHEQI-QGZVFWFLSA-N 257.421 4.643 30 10 CJEE COc1c(Cl)cccc1Nc1cccc(Cl)c1C#N 1216127342 NEXOLYVDZBUOBZ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C3CC3)c(C)c2)C1 1216749073 JVLZPJXOUOBBGD-HNNXBMFYSA-N 298.430 4.692 30 10 CJEE C=C1CCC(C(=O)N(C)c2ccc3ccccc3c2)CC1 1264124931 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JPRXAJWDRCTUFK-MRXNPFEDSA-N 283.481 4.776 30 10 CJEE N#Cc1c(Cl)cccc1NCC1(C2CCCC2)CC1 2090213932 MOZAJFLHKXAPMG-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=C1CCC(CC(=O)C23CCC(CC2)C3(C)C)CC1 2094489291 LXKHVKCVKKELTP-UHFFFAOYSA-N 260.421 4.908 30 10 CJEE C=C([C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1)C(C)(C)C 2096634042 UHOHIBJHEGSAKO-GFCCVEGCSA-N 292.728 4.995 30 10 CJEE C=CCCC[C@H](NCCC)C1CC2(C1)CC(C)(C)C2 2100961077 ZFAXNROYDBJHKT-INIZCTEOSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H](CCc1ccccc1C)NCC 2102111732 OJRIWYIYMPQTRQ-FUHWJXTLSA-N 259.437 4.508 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCOC(C)(C)C1 2105226346 ZNPFNYWRYHTZHF-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE O=C(C1=CCCCCCC1)c1cc(F)c(F)cc1F 2107715036 OAVKOGXCYZVDLP-UHFFFAOYSA-N 268.278 4.567 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@]1(O)CCCC12CCCC2 2108214485 VZYKYADFLLTOHB-WBVHZDCISA-N 263.425 4.572 30 10 CJEE C=CC1(C[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)NCC)CCC1 2111722132 WSOHZGHOVKFGQA-NXOAAHMSSA-N 261.453 4.537 30 10 CJEE C=CC1(C[C@@H]2C[C@H](C)CC[C@@H]2CNC(C)C)CCC1 2111723849 YVKQQQJTUDIRMI-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C#CCCCC[C@@]1(CNCCC)CCCC(C)(C)C1 2116866426 SSZNGLILDBFAGQ-GOSISDBHSA-N 263.469 4.766 30 10 CJEE C#CCCCC[C@@H](CSc1cccc(Cl)c1)NCC 2116871003 QTDUBGDKAKROPA-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CCCc1nc(C[C@@]2(C#N)CCCCC2(C)C)cs1 2117018556 CSBPTYNFTODMOP-MRXNPFEDSA-N 276.449 4.748 30 10 CJEE CCCCCCCCCCNC[C@H]1CC[C@H](OC)C1 2118259900 PMRDKJQPZCQGSU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCO[C@@]1(C(C)C)CCCNC1 2119716812 DRFZFWJSQOBHIU-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE Cc1c(C(=O)C=C2CCCC2)oc2ccc(F)cc12 2120530620 XRTOVBFQGKODOS-UHFFFAOYSA-N 258.292 4.563 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C1CC1 2121000588 KJYMTNXVUSAFRX-MWLCHTKSSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCc1cc([C@H](O)CCC)on1 2121071231 WYTTVYZUNOSNLN-OAHLLOKOSA-N 267.413 4.801 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1SC1CCC1 2121623754 NPYDYPJFSJAHIY-HLLBOEOZSA-N 271.429 4.748 30 10 CJEE C=C(C)CC[C@H](O)c1ccccc1-c1ccccc1 2122683310 GNYLBNDXNFSMOC-SFHVURJKSA-N 252.357 4.743 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(Cl)ccc1OC 2123089211 QFLRBCBUSNOBBR-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE CC[C@@H]1CC=C(C(=O)Cc2cc(C)ccc2C)CC1 2125186245 NKKLMYGPGBGXHF-OAHLLOKOSA-N 256.389 4.552 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C(C)(C)C(F)(F)F)CC1 2125203298 JGYDSGWMPFRIAO-NSHDSACASA-N 276.342 4.917 30 10 CJEE C=C1CC([C@H](CCc2ccc(Cl)cc2)NCCC)C1 2125661974 PDXHKYULMKVVKT-KRWDZBQOSA-N 277.839 4.607 30 10 CJEE CC[C@](C#N)(Cc1csc(-c2cccs2)n1)C(C)C 2127910554 KCTHMYULZHQOIS-OAHLLOKOSA-N 290.457 4.990 30 10 CJEE CC[C@@](C#N)(c1ccnc2cc(Cl)ccc12)C(C)C 2127917553 OWTUTIFYUGJKBV-INIZCTEOSA-N 272.779 4.716 30 10 CJEE Cc1cc(Cl)ccc1C[C@@]1(C#N)CCCC(F)(F)C1 2128422411 SSJSDNJPPVZARJ-AWEZNQCLSA-N 283.749 4.910 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CCC[C@@H]2C1 2128432992 XAULZYLFGCFFAT-DLBZAZTESA-N 283.525 4.769 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)(C)C)CCC(F)(F)CC1 2128485456 YLECWVDSTFBPBQ-CYBMUJFWSA-N 273.411 4.782 30 10 CJEE CCCCCCCC[C@@H](N)[C@@](O)(CC)CCC(C)C 2129408145 OBRRNDNEZCTCSH-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE CCc1ccc(C#N)c(N[C@H](CC)CCC(C)C)c1 2132315694 AFDNGXXJPKBXGU-MRXNPFEDSA-N 258.409 4.747 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134388742 IBOFVSKKZIVTLP-LVZMMCSGSA-N 263.469 4.617 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2C3C[C@@H]4C2[C@@H]4C3)CC1 2134660140 JCOVUPDCGJUUQT-MNKSHHHHSA-N 257.421 4.635 30 10 CJEE C#CCCCC[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2136076354 ALQQMFFHZYZRNF-ZDUSSCGKSA-N 290.712 4.586 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1(CC2CC2)CC1 2138955880 FGKAQJSMGTXNBD-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCCCCCC(=O)[C@@H]1C(F)(F)C12CCCC2 2141907232 BWQDOURRAMLLEN-AWEZNQCLSA-N 270.363 4.908 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CCC[C@@H]1C(F)(F)F 2141913526 IZVUEVIVLFDHSV-IHRRRGAJSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCC[C@H](N)C1 2142427380 IGSUGQJXRYKRMW-DLBZAZTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCC[C@](C)(O)CC(C)(C)OC 2142439504 MVDWDHAFCLTQDW-KRWDZBQOSA-N 270.457 4.859 30 10 CJEE C=CCCCCCCCC[C@H](NN)C(C)(CC)CC 2142449292 YPSDXFIHQSCEBT-INIZCTEOSA-N 268.489 4.951 30 10 CJEE CCCCC[C@@H](CC)OCc1ccc(C#N)c(C)c1 2142460084 BINZMRITUIILNX-QGZVFWFLSA-N 259.393 4.742 30 10 CJEE CCCCCCCCC(=O)C(O)(C1CCC1)C1CCC1 2147265372 AEWXLYGDMZMZLS-UHFFFAOYSA-N 280.452 4.637 30 10 CJEE C=CCC[C@H](NCCC)[C@H](O)CCCCCCCCC 2147416847 QVCJXNDHUJKUHR-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@@H]1CCC[C@@H](C)C1 2147995427 XQEZOHLGFKQXFS-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](O)(CC)C1CCCC1 2148577652 GTYCKOSUBNAUFF-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@](O)(C(C)C)C1CC1 2148583727 SBIYYHKYBWWGQA-ROUUACIJSA-N 283.500 4.512 30 10 CJEE C=C1C[C@H]2CC(NCC3(CC(F)F)CCC3)C[C@@H](C1)C2 2149989997 YILRALFSXVPWMS-YIONKMFJSA-N 283.406 4.536 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@H]2CNC[C@@H]21 2150978870 VQLNSIPGSQRFGQ-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE C=C([C@@H](NCCC)[C@@H](O)CCCCCCC)C(C)(C)C 2152983426 OVPDVVSMEJLEMD-DLBZAZTESA-N 283.500 4.678 30 10 CJEE CC[C@@H]1NC(=N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)S[C@H]1CC 2153457874 JAZWDAWCTWQKFM-QRJUGERDSA-N 294.508 4.595 30 10 CJEE CCCCCCCCOc1ccc(C[C@H](C)N)cc1C 2155014933 XUXAHEHAEHHZLF-INIZCTEOSA-N 277.452 4.624 30 10 CJEE C=C(C[C@H](NCCC)c1cccc(OC)c1)[Si](C)(C)C 2155640044 BPBOFLCMAKONJB-KRWDZBQOSA-N 291.511 4.560 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@@]12CCOC2 2156733149 QEQVWCKGESAFAR-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE C[C@@H]1CCC[C@@H](CN=C2N[C@H](C(C)(C)C)CCS2)CC1 2159520646 YXDDRNGBEAHQOG-KFWWJZLASA-N 296.524 4.700 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1OC 2162071036 MEWHDJVLTWGWTG-GVDBMIGSSA-N 283.500 4.919 30 10 CJEE CC[C@@]1(C)CSC(=NC2CCC3(CCCCC3)CC2)N1 2164049405 HDOAALUXSGHUAN-INIZCTEOSA-N 294.508 4.741 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(-c2ccc(F)cc2)o1 2164105094 OSLNUIHHEKEHCO-OAHLLOKOSA-N 273.351 4.703 30 10 CJEE CCC[C@](C)(C#N)[C@]1(O)CCCC[C@@H]1C1CCCCC1 2164477796 NTIMEJJAPUSFSN-KURKYZTESA-N 277.452 4.818 30 10 CJEE CCCC[C@@](C)(C#N)Cc1ccc(OC(F)(F)F)cc1 2164482965 XSFBTMKJQRBUHW-CQSZACIVSA-N 285.309 4.848 30 10 CJEE C=CC1(C[C@H](NCCC)[C@]2(C)C[C@@H]2C(F)(F)F)CCC1 2168024557 VJKMXLURXHKQET-MELADBBJSA-N 289.385 4.690 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](O)[C@@H]1CCCC(C)(C)C1 2168603234 VJQLKCFZYTXXAO-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)[C@@H]1CCCC(C)(C)C1 2168634715 ONRNNOMXPRUODS-HUUCEWRRSA-N 270.420 4.884 30 10 CJEE CC1(C)CCC(C#N)(c2ncccc2C(C)(F)F)CC1 2168679371 RMKBSJBAYUKYLO-UHFFFAOYSA-N 278.346 4.555 30 10 CJEE C=C(COC(C)C)C(=O)[C@H]1CC[C@H](CCCCC)CC1 2168700634 QXAZEBOIICVUQZ-QAQDUYKDSA-N 280.452 4.923 30 10 CJEE CCCN[C@H](CCC#CC(C)(C)C)c1ccc(F)cc1 2169688152 GVXVELUIKPNKIJ-QGZVFWFLSA-N 275.411 4.696 30 10 CJEE C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1(C)CCC1 2172457236 VMUIBJCUQZPCBM-JTQLQIEISA-N 282.309 4.568 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(O)[C@]1(C#N)CCCCC1(C)C 2173649847 XFTYPUGKMDVCPF-FHLIZLRMSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccccc1C(C)(C)C 2174279087 SRFWQWPMIXKOOV-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE CCC1(CC)CSC(=NCC2(C)CCC3(CC2)CC3)N1 2176596832 KAYCCJSAYMNOBZ-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CCCCCCCCOC[C@@H]1CC[C@@H](CNC(C)C)C1 2181820410 ITCCFBPSRJNTIM-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC(C)(CC)CC)C1 2182264541 KDDYVJMOZIJTQZ-ZACQAIPSSA-N 278.484 4.853 30 10 CJEE CC(C)NCC1(CC#C[Si](C)(C)C)CCCCCCC1 2187468539 PFKSWSDUJWOHQL-UHFFFAOYSA-N 293.571 4.986 30 10 CJEE CCCCCCC[C@H](NCC)[C@](C)(O)[C@H]1CCC1(C)C 2188567467 RFAGUQGMKLVONI-XYJFISCASA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@H](NN)C1(CC2CCC2)CC1 2189939067 FKJIQOBLBSYZJL-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE C[C@@H]1CC[C@@](C)(N=C2NC3(CCCCCCC3)CS2)C1 2193324567 JZUQJMLXEKCXPD-GDBMZVCRSA-N 294.508 4.741 30 10 CJEE CC#CCCCC[C@H](C[C@H]1C[C@@H]1C(F)(F)F)NCCC 2196176723 IWAVDRDMHHYUAO-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCCCCN(C)C[C@H]1CCc2ccccc2C1 2196692255 JWNAJTVZSMNXCB-KRWDZBQOSA-N 273.464 4.694 30 10 CJEE CCCCCCCCN(C)CCNc1ccc(F)cc1 2196715139 SEIVEFZDIKECDB-UHFFFAOYSA-N 280.431 4.530 30 10 CJEE CCCCCCCCN(C)[C@@]1(CN)CCCCC[C@H]1C 2196740361 CFVAKSSKFALJFK-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE Cc1nc(Nc2ccccc2C2CC2)c(Cl)cc1C#N 2197923312 KWTGCWVILQTZES-UHFFFAOYSA-N 283.762 4.536 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C)c(C)c1F 2203718173 SLMJKOXVMBUWBP-INIZCTEOSA-N 280.431 4.698 30 10 CJEE C#C[C@@H](N[C@H](CC)c1cccc(Cl)c1)C1CCCCC1 2203802866 OGHHBPIRFPBSHD-QZTJIDSGSA-N 289.850 4.963 30 10 CJEE CCCC#CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)C 2203818226 DGMFWKSDZGCVEA-IPMKNSEASA-N 277.496 4.867 30 10 CJEE CCCCCC#CC[C@H](NC)C(CC)(CC)C(F)(F)F 2203818893 JERUAXRQLFIIPU-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CCCCCC#CC[C@](C)(N)c1ccc(Cl)c(F)c1F 2203818941 JLMYZWUOMJPOKY-INIZCTEOSA-N 299.792 4.766 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN 2203823872 QTLJPCAZZSYLAN-KURKYZTESA-N 277.496 4.998 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1CCC[C@@H](C(F)(F)F)C1 2203824151 RYGKBKSOJWZQHU-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE C#C[C@@H](NCC1CCC(CCC)CC1)C1CCCCC1 2203847792 ISDCZHZZLSRRIN-FAFZWHIHSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCC(=O)[C@](O)(CC)CCC(F)(F)F 2206894869 OFFWWPALDYVFOH-AWEZNQCLSA-N 294.357 4.566 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@](C)(O)CCCCC 2206901011 YQWSUYHYMUVGLB-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@]1(C)CCCCC1(F)F 2206901192 ABEOMVIUYOVDSZ-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCCC[S@@](=N)(=O)c1cccnc1 2207378645 UPXGTBMAHDAHQU-HXUWFJFHSA-N 294.464 4.794 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](N)CC(C)(F)F 2207395128 CMPUBBQQEHPIFV-AWEZNQCLSA-N 289.410 4.625 30 10 CJEE C=CCCCCCCCCCC(=O)c1coc(OC)n1 2207404424 NMXNMHCQCGVPSB-UHFFFAOYSA-N 279.380 4.563 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccncc1CC 2207426415 BEECEKXSEAXHHX-SFHVURJKSA-N 274.452 4.951 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@H]1CC1(F)F)NN 2207433718 AAYVDYNVXRNTBE-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CCCCS1 2207434877 DXYUPMIFMKSNMA-IRXDYDNUSA-N 298.540 4.801 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2207442236 PLYAUFLZUFPZAO-ROVKOOOKSA-N 275.480 4.783 30 10 CJEE CC=CCCC[C@H](NCC)[C@@H](O)CCCCCCCC 2207444197 HJZVNGVORBYILF-ROUUACIJSA-N 283.500 4.822 30 10 CJEE N#CC1(C[C@H]2CC[C@H]2C(F)(F)F)CCCCCC1 2217720267 QCOCIISCFLFIDL-VXGBXAGGSA-N 259.315 4.829 30 10 CJEE CCCCCCCC[C@H](O)c1ncc(Cl)cc1F 2218698784 NBAYBLPMSANUSA-ZDUSSCGKSA-N 273.779 4.658 30 10 CJEE C=CCCCCCCCC1(O)CC(C(F)(F)F)C1 2220081230 DCCVEIZLGGTMAE-UHFFFAOYSA-N 264.331 4.607 30 10 CJEE C=CCCCCCCCN[C@@H](C)c1ncc(C)s1 2220093381 QXLQZUKWDQOSRU-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE N#Cc1ccc(N)cc1Sc1cc(Cl)cc(Cl)c1 2221801952 ZOHQOGHCCAJXJC-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCOc1c(C)sc(CO)c1C 2223199244 PCDQFXARZXDZRA-UHFFFAOYSA-N 270.438 4.597 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)C(C)(C)OC 2223854404 SJFZMENCGCWDST-LSDHHAIUSA-N 257.462 4.529 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(Cl)cnc1OC 2224745848 AMDHWRJJUVLOQX-CQSZACIVSA-N 285.815 4.528 30 10 CJEE CCC#C[C@@H](NCC)C1CCC(CCCCC)CC1 2225415405 GGGMGYBAELUUJD-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CC[C@@](C)(NCCCCCCC1CC1)C(F)(F)F 2225780766 OSDKXFMLQCUBEK-CQSZACIVSA-N 277.374 4.834 30 10 CJEE CCCCCCC[C@H](NN)c1cc(C)c(Cl)cc1F 2226389524 GGMDISLWYZSEPC-HNNXBMFYSA-N 286.822 4.652 30 10 CJEE C=CCCCCCCC[C@]1(C=O)C[C@@H](OC)C1(C)C 2227266759 ZCOQIGZVLBKNFH-NVXWUHKLSA-N 266.425 4.533 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](CC)CCOC 2227270061 CHEJYWAIUNATPY-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(F)cc(F)c1 2227272348 MZRVWNUFWMBMNJ-MRXNPFEDSA-N 268.347 4.915 30 10 CJEE CC1(COc2ccc(C#N)cc2Cl)CC2(CCC2)C1 2228237002 ZZVBOHSZYSOHRB-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE CC#CCCCC[C@@H](CCCC(C)(F)F)NCCC 2229850489 DOJDZCRUQAORLU-HNNXBMFYSA-N 273.411 4.764 30 10 CJEE CCCC#CC[S@@](=N)(=O)CCCCCCCC1CC1 2230902701 RSXABOCLCKTDCJ-LJQANCHMSA-N 283.481 4.587 30 10 CJEE C=CCNC[C@@H](C)OCCCCCCCCCCC 2231015238 PEZDUQJJKJTJRV-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC(=O)[C@@H]1CC 2231029666 BQBNDUZKKOASSW-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCC[C@H](C)CC[C@@H](O)C#Cc1cccc(Cl)c1 2231095218 KWIUYXCHSXDWOW-WMLDXEAASA-N 278.823 4.659 30 10 CJEE CC#CCCCC[C@H](N)c1ccc(C2CCC2)cc1 2231691014 XPYNVWYTTCALMF-SFHVURJKSA-N 255.405 4.538 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CO[C@@](C)(CC)C1 2231924835 UDCDXGGSKGSUAN-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H]1CCCCO1 2231929057 NUKSQNHKSPFBPE-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCCCCOc1c(N)ccc(F)c1F 2234032680 AHPKFWVIRJIMBF-UHFFFAOYSA-N 283.362 4.843 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](CCC)COC 2235514319 SMQIUHLPJPRUNJ-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]12CCCC[C@@H]1OCC2 2235514814 YFZHISQRWWYWRM-OKZBNKHCSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCC[C@@H](Cc1nc(C)cs1)NCC 2235519263 OECKUHSRTVAMMU-INIZCTEOSA-N 294.508 4.889 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1nc(C)c(C)[nH]1 2235527755 YNLDPYXRIAUWEK-MRXNPFEDSA-N 277.456 4.594 30 10 CJEE C=CCCCCCCCOc1ccc(C[C@H](C)O)cc1 2235534681 IOTVIMSJKDEQFL-INIZCTEOSA-N 276.420 4.515 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCCC[C@@H]1OCC 2235534730 JHAOTAYBDYIMCT-MSOLQXFVSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](OC)C1CCCCC1 2235540083 SUOGAEZNIQZJDK-QZTJIDSGSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1C[C@H](OC)C12CCC2 2235542473 SKVZDJJUNRVKPQ-WBVHZDCISA-N 278.436 4.677 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(OC)c(C)cn1 2237903352 YUYKSKZUJJYUOA-HNNXBMFYSA-N 278.440 4.539 30 10 CJEE CC(C)C1CCC(C(=O)C#Cc2cccc(Cl)c2)CC1 2239462404 KBNXISCYRMVBAK-UHFFFAOYSA-N 288.818 4.723 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@@H]1CSc2ccccc21 2240110204 LZAXMPXRRFICFW-KDOFPFPSSA-N 287.472 4.600 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1C[C@]12CCCOC2 2240627830 JKEIUMIWYANNLY-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCOCC1(C)C 2240642319 LFMXHEKAUQTMKU-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H](C)c1ccc(C)cc1 2240818722 QGHPRZNKJSCWCI-HKUYNNGSSA-N 271.448 4.660 30 10 CJEE C=CCCCCCCCC[C@H](N)c1c(Cl)c(C)nn1C 2240876510 STOGTLRLCMIKRG-AWEZNQCLSA-N 297.874 4.689 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC2(CC(F)C2)C1 2242062931 NXWUSVVYSMCWHD-UHFFFAOYSA-N 287.422 4.593 30 10 CJEE C=CC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2247254665 JXZXIKSOUOMETO-OAHLLOKOSA-N 296.252 4.799 30 10 CJEE C=C(C)CCCCN(Cc1cccs1)C(C)C 2250143643 YODVUWMBPCYTAP-UHFFFAOYSA-N 251.439 4.705 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(Cl)o1 2250157010 QZGZACOQAZBSAN-LBPRGKRZSA-N 255.789 4.720 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(Cl)c1OC 2256833357 QJFMOUVWOPUGFK-JQWIXIFHSA-N 287.856 4.663 30 10 CJEE C=CCCCSC[C@@H](NCC)C1CCCCCC1 2258994510 RLPGGJBPAMZBGV-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE CO[C@H](CSC[C@H](CS)C(C)(C)C)CC(C)(C)C 2259063637 WUBOIZIKCMJEIX-STQMWFEESA-N 292.554 4.763 30 10 CJEE C=C(C)CCCCNc1cc(C)c(Cl)cc1OC 2259200160 XUIFWNDKRQLVMQ-UHFFFAOYSA-N 267.800 4.815 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ncc(C)s1 2263674213 ZHPWSBJMLCAPQN-OAHLLOKOSA-N 269.454 4.800 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)C1 2264921137 FWWJHQIUDGGDEV-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=C1CC(CC[C@@H]2CCC[C@@H](C)C2)(CNC2CC2)C1 2265040441 HKJJBJWSXDZNGR-ZBFHGGJFSA-N 261.453 4.681 30 10 CJEE CCCCCCCOc1sc(CNCC)c(C)c1C 2265932298 NUKJZOGQASRJAK-UHFFFAOYSA-N 283.481 4.824 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@@H]1CC(F)(F)C12CCC2 2266116477 HHTFXHVYRQJJQK-TZMCWYRMSA-N 270.363 4.597 30 10 CJEE Cc1ccc(Cl)c([C@@H](C#N)Nc2ccc(Cl)cc2)c1 2268110901 ZTQNBZBXEDCPOC-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCN[C@@H](CCCC=CC#CC(C)(C)C)C1CC1 2268737482 WDJYQCSBCATSTR-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE Cc1ccc([C@@H](C)N(C)CC=CC#CC(C)(C)C)s1 2268792672 UVMNWOSIGFIAKB-OAHLLOKOSA-N 275.461 4.655 30 10 CJEE CCCCCCCC[C@@]1(F)[C@H]2CCC[C@@H]1C[C@H](N)C2 2270415328 VRLJCDBHANHTPO-GANOOXTDSA-N 269.448 4.983 30 10 CJEE C=CCCCCCCCSc1ccccc1CCN 2271502318 XAJKKROBSOLKDC-UHFFFAOYSA-N 277.477 4.807 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(OCCC)cc1 2271788314 PDNAYBMEKHOCIS-QGZVFWFLSA-N 262.393 4.645 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H](C)c1ccc(C)cc1 2271789948 BXVWUOIALQSAMB-FUHWJXTLSA-N 259.437 4.823 30 10 CJEE CC1(C)CCC(C)(C(=O)C#CC2CCCCC2)CC1 2273906844 FXJBPLIPAZVGAC-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CC1([C@H](N)C#CC2CCCCC2)CCCCCCC1 2273991728 FJGAUQYVRHGZFU-QGZVFWFLSA-N 261.453 4.648 30 10 CJEE C#CCCCC[C@@H](NCC)C1CC(CC(C)(C)C)C1 2274216563 ZDMRCGNUNOYWHC-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CC[C@H](C)C1 2276543456 LJGOOEAHKZXFCF-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(OCCCN)C1CC1 2276635043 PWRHNDAFITZSNR-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@](C)(CC)OC 2278243661 PLDCNYVPDKAIGZ-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CC(C)(C)CCO2)CC1 2280338343 RPDOKKJSRIPNBY-UPTPFMHGSA-N 280.452 4.613 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1cc(C)c(C#N)c(C)c1 2280563773 OUMUPDFCIRERTK-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CCCN[C@@H]1CC[C@H](CC=CC#CC(C)(C)C)[C@H]1CC 2284084397 QZNWTIQIRALDCO-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC1(C(=O)O)CCC(C)(C)CC1 2284179553 QPKRVYJDZNWFJK-UHFFFAOYSA-N 276.420 4.653 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)[C@@H](CC)CCC 2287672473 HBDBVBYJJIWGCP-OKZBNKHCSA-N 283.500 4.808 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)C[C@@H]1CCCC(C)(C)C1 2287707493 UQTNHVSTTPWATL-AEFFLSMTSA-N 281.484 4.530 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2289789701 HCRGTSGJLDTZSK-WJFTUGDTSA-N 273.464 4.504 30 10 CJEE CC1(C)CCC(C)(C)[C@@](C#N)(Nc2cccc(F)c2)C1 2290249388 BMSFAUDFZGVGJK-QGZVFWFLSA-N 274.383 4.736 30 10 CJEE C#CC(C)(C)C[C@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2290313533 IIBQBJQWDZMKMQ-JKSUJKDBSA-N 277.496 4.867 30 10 CJEE C=CCCCCCC[C@](C)(CC(C)C)OCCC(=O)O 2292425203 CTQNRLSQYNTSDI-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1cocc1C 2293448789 MBCUHWPPIDANEL-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)[C@@H]1CC1(C)C 2293497694 AYUOKCPUPQQDRZ-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)[C@](C)(OCCCN)C1CCC(CC)CC1 2293528632 VBXLZAFSUZJCOQ-CPFNUKBASA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)C(C)(C)C(F)F 2294056976 QSLAKKDKYWFTCL-MRXNPFEDSA-N 291.426 4.538 30 10 CJEE CCc1ccc(C(=O)C=Cc2ccc(C)s2)cc1 2294299935 CYRDCIUDGMTPAJ-UHFFFAOYSA-N 256.370 4.515 30 10 CJEE Cc1cc(C)c(C)c(CN(C)CCCCCCCS)c1 2294772803 IPEVVPUHAMZXFP-UHFFFAOYSA-N 293.520 4.924 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCNC[C@@H]1CC 2295514712 MBVUACIQSRDWCX-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnsc1COC 2295580015 HTEHQXQBWGHELB-MRXNPFEDSA-N 299.480 4.638 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@](C)(O)CC(C)C 2295668425 IAUPAOGPTUTKQH-ROUUACIJSA-N 285.516 4.902 30 10 CJEE C[C@H](CCSc1cc(Cl)ccc1C#N)C(F)F 2301086863 RYWQLMKJERXPHZ-MRVPVSSYSA-N 275.751 4.595 30 10 CJEE CCCCC#CCNc1ccc(Cl)c(C)c1Cl 2301850737 OBLRABGWNKLCLO-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE CC(C)[C@H](C)[C@H](C)OC[C@](C)(CS)C(C)(C)C 2307144325 FCBMHPNGMDKNMP-KCQAQPDRSA-N 260.487 4.666 30 10 CJEE CCCCCCCCC(=O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2308644508 FFVZYOQDJVZALM-BZPMIXESSA-N 258.352 4.597 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(CC)s1 2313696674 XOVFRCPGXZRQRZ-UHFFFAOYSA-N 280.458 4.747 30 10 CJEE C=CCC(CC=C)Sc1sccc1CNC1CC1 2313698921 OZXUGMAFIKBUKS-UHFFFAOYSA-N 279.474 4.613 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CCC2(F)F)CC1 2313723395 SVIYRYKTLODGQY-MOKVOYLWSA-N 255.352 4.778 30 10 CJEE CCCCCCCCC[C@@H](CC=C(C)CC)NN 2316532684 RKFSULXIZYKXGR-INIZCTEOSA-N 254.462 4.705 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(F)c(C)c1Cl 2316591979 JNJXDXOCCPBYBG-CQSZACIVSA-N 269.791 4.794 30 10 CJEE C=C[C@@H](NCc1ccc(Cl)c(Cl)c1C)C1CCC1 2316694214 NXEVJFVFUZWXRH-CQSZACIVSA-N 284.230 4.746 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1sccc1C1CC1 2321114791 ZBMHJCDWKRMMCE-WFASDCNBSA-N 263.450 4.878 30 10 CJEE C=CCC(C)(C)[C@H](Cc1c(Cl)cccc1Cl)NC 2321147213 FTBMHKQZVBWQOP-AWEZNQCLSA-N 286.246 4.726 30 10 CJEE CCCC[C@@H](CC)COCC1(CS)CC(C)(C)C1 2321740877 GXLQPQPHPBTUHM-CQSZACIVSA-N 272.498 4.956 30 10 CJEE C=CC[C@@H]1CCCN1Cc1cc(F)c(Cl)cc1Cl 2325191559 XFQZJUKBJBJUML-LLVKDONJSA-N 288.193 4.673 30 10 CJEE Cc1cc(Cl)c(C(=O)C#C[C@H]2CC2(C)C)c(Cl)c1 2327921514 SUWOYDXJLPUOCK-JTQLQIEISA-N 281.182 4.534 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334287943 PADCOJQPEYHCCB-FQBRJNOBSA-N 262.437 4.988 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@]12CCCC[C@@H]1CC2 2334794691 JTKPNRYNRCOGSD-MHORFTMASA-N 261.453 4.681 30 10 CJEE CC1CCC(C#N)(Cc2cnc(C(C)(F)F)s2)CC1 2335672397 BPYRNHUTICCILN-UHFFFAOYSA-N 284.375 4.517 30 10 CJEE CCCCCCCCCC[C@H](C#CC1CCC1)NC 2337427057 KEIRXUQQJZGVFJ-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=C(Cl)CONC(C1CCCCC1)C1CCCCC1 2338275990 VFGFDNDKGGMLFF-UHFFFAOYSA-N 285.859 4.789 30 10 CJEE C=CCC(CC=C)N(C)Cc1ccsc1C(F)(F)F 2338724211 FLPRPTAPMFAZRJ-UHFFFAOYSA-N 289.366 4.720 30 10 CJEE C=CCC(CC=C)[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2338743663 HROHEJUUYRBNQP-INIZCTEOSA-N 298.257 4.892 30 10 CJEE Cc1c(F)ccc(C(=O)CC#CC2CCCC2)c1Cl 2338774340 WZJRYNIPJFJGGD-UHFFFAOYSA-N 278.754 4.554 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338786676 HSJNNMABEHBUFH-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE C#Cc1ccccc1NCCc1cc(Cl)cc(Cl)c1 2339929159 REWLDGYXHFGUCV-UHFFFAOYSA-N 290.193 4.629 30 10 CJEE C=CC1(CC(=O)c2cc(F)ccc2C2CC2)CCC1 2341802862 UVFXZONQRGFNIC-UHFFFAOYSA-N 258.336 4.632 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)c(C)cc1OC 2344336206 HFFXBYUCCHVZNR-ZBEGNZNMSA-N 281.827 4.520 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344343798 FYIXHVNDERRILW-FDPKGLCPSA-N 263.469 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cncc(Cl)c1 2344385821 RRQXFZCYTDJURB-HOTGVXAUSA-N 280.843 4.768 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCC2(CCC2)C1 2352079761 KUDAWTHNAUNWBE-GDBMZVCRSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCS[C@](CC)(C(=O)O)C1CC1 2352163828 QWJOZNWGLNLBFL-INIZCTEOSA-N 284.465 4.890 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)C[C@H]1CCOC1 2353220537 YVUILROQUPRCBY-BBWFWOEESA-N 270.457 4.551 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(F)cc1SC 2353819043 QXPYOGCUOPCGCB-BLLLJJGKSA-N 281.440 4.801 30 10 CJEE CC[C@@]1(C)CCSC(=N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138370 OVCNWTZNHMVHLT-DIECFANBSA-N 294.508 4.597 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2359620840 TYCZGEAEEXBLSO-MANSERQUSA-N 275.480 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2359661330 DDQSLPKHSOOTQB-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CCCC2)CC[C@H]1NC 2360205649 ORNYSWGMCFPCGW-SJORKVTESA-N 293.520 4.941 30 10 CJEE Cc1ccccc1[C@H](C)Nc1ccc(Cl)c(C#N)c1 36973230 PTZBYRQIWLZRDU-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(OC)c2)C1 37154717 QUCZHBDDHPADCW-GRDNDAEWSA-N 289.444 4.896 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)Cc2ccccc2Cl)c1 57724238 YMOBBGVLBDRNQL-HNNXBMFYSA-N 299.801 4.761 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1COC 59422923 UTQLANHZXIYIFW-OAHLLOKOSA-N 263.425 4.994 30 10 CJEE CCCCCCCCNc1ccc(OC)c(OCC)c1 59462139 NBWJJLWFXADXOV-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE CCCCCCCCN[C@@H](C)CCc1ccc(O)cc1 59474576 NBHWRCOOIUQGAO-INIZCTEOSA-N 277.452 4.663 30 10 CJEE CCc1sc(-c2cc(Cl)c(C)cc2OC)cc1C#N 77097636 DJKBMRNIRIZWDJ-UHFFFAOYSA-N 291.803 4.820 30 10 CJEE CCCC[C@@H](CC)CNc1cc(Cl)ccc1C#N 86114767 PBNAVNFIPSCOKE-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)C2CCCCCCC2)c1 86580132 QRBZEDZIZUXIJY-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE C=C(CC)C[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 97208658 PNAIEOCMARQVTF-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCC[C@H](C)Oc1ccc(C#N)c(Cl)c1 104172627 IKGCESWQNZEYMU-LBPRGKRZSA-N 265.784 4.949 30 10 CJEE CCCCCCCOc1ccc(C(=O)CCC)cc1N 104313315 AJKXKHUKIVMSKX-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CCCCCCCO[C@@H](c1ccc(Cl)s1)[C@@H](C)N 105567591 LHBAGPSUUUUMPP-BXUZGUMPSA-N 289.872 4.777 30 10 CJEE CCCOc1ccc(C(F)(F)F)cc1[C@@H](C)CCC#N 107475730 RGQNBXXAKIWVPP-NSHDSACASA-N 285.309 4.901 30 10 CJEE CC#CC[C@@H](C)c1cc(C(C)(C)C)ccc1OCC 107600984 VPIDBYHOFQWRKY-CQSZACIVSA-N 258.405 4.900 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@H](C)CS 107616266 JOPDIMKXRYLQLE-AWEZNQCLSA-N 286.440 4.682 30 10 CJEE C[C@@H](CCC#N)c1ccc(Oc2ccccc2)cc1 107634089 ZSCIBCMNPSAILX-AWEZNQCLSA-N 251.329 4.886 30 10 CJEE CCCCCCCO[C@@H](CNC)c1cccc(Cl)c1 110067838 BWDACHUGMVYMOB-INIZCTEOSA-N 283.843 4.588 30 10 CJEE CCCCCCCCCN(C)c1cccc(C#N)c1 110247740 FSJUTPJVXMPKNW-UHFFFAOYSA-N 258.409 4.745 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2F)c(Cl)c1 110255775 GDNARVLJXSTOIY-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCOc1ccc(C[C@@H](C)N)cc1 112904439 QXGZLZSQGQVGRC-MRXNPFEDSA-N 277.452 4.706 30 10 CJEE CCCCCCCCn1cccc1[C@@H](C)NCC 118238289 SLUAHBSWSQOTEW-OAHLLOKOSA-N 250.430 4.519 30 10 CJEE CCCCCCCCCCN[C@H]1CCCN(C(C)C)CC1 129263716 JDBDPEPGHJXGCQ-IBGZPJMESA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(Cl)nc1 129265266 PTCKXEOINVIUFB-UHFFFAOYSA-N 296.842 4.606 30 10 CJEE CCCCCCCCCCn1ccc2c1CCC[C@@H]2N 129458577 VBGFRLXDJKENGE-KRWDZBQOSA-N 276.468 4.965 30 10 CJEE N#Cc1cc(NCCC2CCCC2)ccc1C(F)(F)F 130952879 OPNMRFGUYDJQGC-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCCCCCCCC[C@H](N)CCc1ccco1 139445880 INNKMVQDGZNMEQ-HNNXBMFYSA-N 251.414 4.680 30 10 CJEE C=CCC[C@@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 156101722 HGWYBEXMBQOFHT-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE Cc1cc(Oc2cccc(C(C)(C)C)c2)c(C#N)c(C)n1 156603135 MUZDYOCKBCEKCC-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE Cc1cc(C)c([C@@H](O)C2(C#N)CCCCCCC2)c(C)c1 156805063 QLOSGSCDWRYEHQ-GOSISDBHSA-N 285.431 4.900 30 10 CJEE Cc1cc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(C)n1 157372770 HMNMQUQMRSAFOR-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCC[C@H](NCC)C1(OC)CCC(C)CC1 158446851 XKNIIDLNFRVXDP-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCSCC[C@@H](C)Nc1cccc(SCC)c1C#N 160239452 HXWOXHHZYJAWDZ-GFCCVEGCSA-N 294.489 4.614 30 10 CJEE CCCCCCCCN[C@H](CC)c1ccccc1O 160848514 NSYHAGBDURZUOO-MRXNPFEDSA-N 263.425 4.793 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 164007520 PCDIKLFGBSPSOS-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166298506 FIIXDDQOBQFOHH-VMGRFDJRSA-N 291.460 4.799 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 185020512 XEGKXPDPSPERSW-KGLIPLIRSA-N 285.387 4.555 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCC[C@@H]1CN 226554132 GFRXKJXMOKYEJC-SJORKVTESA-N 281.484 4.851 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 228817785 BYRKGGUCVUYNFV-WDEREUQCSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1CCCO1)NCC 229505113 PBGZNGRWWGHXPH-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(C)[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC 229751071 UZKIGZUAZRIEIR-AWDGRILASA-N 261.453 4.537 30 10 CJEE C#C[C@H](CCC)NC(=O)CCCCCCCCCCC 229953766 WKNXEGCSQAGNCM-QGZVFWFLSA-N 279.468 4.825 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccoc1Cl 232926431 UCSHBRPBDQHLGI-ZDUSSCGKSA-N 272.820 4.578 30 10 CJEE CCCCCCCCCCNCC1(CCOC)CC1 232943163 RSSVXCSGZPYACQ-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@H]1CNCC(C)C 232950975 CZBOAQXUIGSUCK-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE C=CCCCCCOc1ccccc1[C@@H](CC)NCC 233588481 WYQCYUKSTQJOHS-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@H](CC1CCSCC1)NCC 233601365 ZEQVWEMSPQDAAZ-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=CCCCCC[C@H](Cc1cc(F)cc(F)c1)NCC 233602937 PVQKWIPYXZIAEB-QGZVFWFLSA-N 281.390 4.622 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(F)cc1C 233608770 WJSXNQWYABPSHM-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(C(F)(F)F)c1 236121217 NZTIXPAEOJSVEE-UHFFFAOYSA-N 268.278 4.779 30 10 CJEE N#Cc1cc(-c2cc(Cl)ccc2Cl)cs1 238505043 XPRIWNVOXWDXLW-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCCCCCCN1C[C@@H]([C@H](C)CC)NCC12CCCC2 250828036 OVOBUFITAVTMSC-MSOLQXFVSA-N 294.527 4.590 30 10 CJEE Cc1ccc(N[C@]2(C#N)C[C@H](C)CC[C@H]2C(C)C)cc1 251287341 SXCGPNCXCKKWDY-NJAFHUGGSA-N 270.420 4.762 30 10 CJEE CC1(C)OB(C2=CCCCCCCCC2)OC1(C)C 253532804 BCSZSPOBGAWPHE-UHFFFAOYSA-N 264.218 4.679 30 10 CJEE CC(=NNc1ccc2ccccc2c1)c1ccccc1 254287127 KHZPBETVSQSFCE-UHFFFAOYSA-N 260.340 4.676 30 10 CJEE CCCCSCCS[C@H]1CCCCCCC1=NO 254735652 PFAXDXMDYWZDGM-AWEZNQCLSA-N 289.510 4.806 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H]2CCCC(F)(F)C2)CC1 306024367 QNZZACYGPPTDBV-VXGBXAGGSA-N 256.336 4.518 30 10 CJEE CC(C)[C@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 306898320 WVMOHPHNVAWUAB-ZSMUJPCHSA-N 278.245 4.781 30 10 CJEE C=CCC(C)(C)COCc1ccc(C)c(Br)c1 313744023 YLUUVQFRUJLBTC-UHFFFAOYSA-N 297.236 4.876 30 10 CJEE CCCCCCCCC[C@H](CNCCC)OCC 316658953 FIRUHQFIBITZFB-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE Cc1cc(C(O)=Nc2ccc(C(C)(C)C)cc2O)c(C)o1 330404646 PRMDAUIYFFGUOZ-UHFFFAOYSA-N 287.359 4.536 30 10 CJEE CC1CCC(C#N)(Cc2ccsc2Br)CC1 389061814 KTSJMLBGLBWGCA-UHFFFAOYSA-N 298.249 4.773 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2ccccc2Cl)C1 394579505 UNWDGXSHLGPVRK-DVOMOZLQSA-N 276.811 4.860 30 10 CJEE CCCCCCCCOc1csc([C@H](C)NCCC)n1 396736092 WAQOGZVBGPUSQN-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C)CC(F)(F)F 397019263 QURGJFLPJHWRFH-STQMWFEESA-N 267.379 4.914 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCc1c(F)cccc1F 402877226 CRKIWKQGSYIJEZ-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE O=C(/C=C\c1cccc2cnccc12)c1cc2ccccc2o1 588423575 XZOISKWVCSSFPG-HJWRWDBZSA-N 299.329 4.877 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Cc2ccc(O)cc2)C1 688316565 UQOKEDMUGYUOLN-UHFFFAOYSA-N 271.404 4.681 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCCSCC1 690293696 XOBPXERBBKJSNV-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCCCC[C@H](O)c1scc2c1OCCO2 691519994 FAUDSFMTFULUGU-ZDUSSCGKSA-N 298.448 4.693 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)s1 692240076 NDSRWYYMRJMMJI-DGCLKSJQSA-N 269.841 4.626 30 10 CJEE Cc1cc(C#N)ccc1NCCCC1CCCCC1 694085549 YVWRWMRAALFCBN-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CCCCCCCCCCCCC(=O)C1=CC[C@H](N)C1 695736309 DPQNDDQHLDADTN-KRWDZBQOSA-N 279.468 4.914 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cccc(Cl)c1Cl 695865029 QKSFMMIJYKJJGJ-SECBINFHSA-N 271.191 4.734 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccccc1Br 695888796 ABBBEXMBDSRDKE-JTQLQIEISA-N 298.249 4.870 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H](CC)CC(F)(F)F)C[C@@H](C1)C2 697310219 DFVDFPREYUXMLM-RDGKXADDSA-N 289.385 4.690 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)C[C@H](CS)c2ccccc2)CC1 697835164 IHEBLZUJZZWMPD-KBAYOESNSA-N 291.504 4.601 30 10 CJEE C=CCCCCC[C@@H](O)c1cc2ccccc2cc1N 702370703 YVVFQOGVQOIYFG-GOSISDBHSA-N 269.388 4.592 30 10 CJEE CCCCCCC[C@H](N)c1ccc2ccncc2c1 702698543 GNNGGINAQJYTEF-KRWDZBQOSA-N 256.393 4.595 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(F)cc1C(F)(F)F 705548708 OTTLPCACGYLJGL-NSHDSACASA-N 289.316 4.851 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H](C1)C2 708332799 XNZROFGVXDOMBC-WKUFJEKOSA-N 275.480 4.926 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCCC(C)(C)C1 709237525 MBJGFKXETDWBAO-CQSZACIVSA-N 276.811 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H](C)C1CCCCC1 709343304 KHDRVIRGXXPQOV-CGTJXYLNSA-N 263.469 4.927 30 10 CJEE CC[C@H](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C 711072744 QIMUSUATKONCKY-GFCCVEGCSA-N 292.810 4.613 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1Cl 714285719 GFIBAVMIXZNNRV-SRCQZFHVSA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 715718249 FWWQAYXEBTUAOA-ZANVPECISA-N 291.744 4.832 30 10 CJEE C=CCCC(C)(C)Nc1ccc(C(F)(F)F)c(C#N)c1 717679254 HHDVQRDCGCNACH-UHFFFAOYSA-N 282.309 4.734 30 10 CJEE C=C1CCC(CN[C@H](c2ccccc2)C(C)C)CC1 724443645 UZHZBZVRXIZMRF-SFHVURJKSA-N 257.421 4.720 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1C 1137257462 KUUSDXNRHWNJQA-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)Cc1ccccc1C(F)(F)F 1181266520 KPZUVQYEWYXTFS-JSGCOSHPSA-N 285.353 4.581 30 10 CJEE C=CCCCN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 1192545632 BWQPUOHABRABDD-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE CCCCCCCCCCN(CC)C1CCOCC1 1201874952 MGIYSVKUDHWLDI-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCC1(C(=O)Nc2cccc(OCC)c2)CCCCC1 1264703435 NNBLVEUJCQUMFU-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc(C(C)C)cc2)CCCC1 1265935868 WJZGWGBCOPBRJB-UHFFFAOYSA-N 285.431 4.909 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1ccc(SCCC)cc1 1267954871 YDCOKJHAAKBXLR-AWEZNQCLSA-N 292.444 4.834 30 10 CJEE C=CCC1(NC(=O)[C@@H](CC)CC2CCCC2)CCCCC1 1272725948 MVYLGNLYVPEWKC-KRWDZBQOSA-N 291.479 4.988 30 10 CJEE C=C(CC(C)C)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 1293723200 IUBASLUDUPNANT-KRWDZBQOSA-N 299.458 4.979 30 10 CJEE C=C(C)c1cccc(NCc2c(O)cc(C)cc2Cl)c1 1308542941 GYKPFYBGRUYGPH-UHFFFAOYSA-N 287.790 4.999 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 1311299365 QZNNAHMXSVEOCZ-GJZGRUSLSA-N 286.419 4.762 30 10 CJEE C#Cc1cccc(NC(=O)c2ccc(C(C)(C)CC)cc2)c1 1351888406 YKBJYBXAFRFFRY-UHFFFAOYSA-N 291.394 4.608 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCCCC1 1353521087 DQISEWBPADLLIA-YESZJQIVSA-N 289.463 4.598 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 1360369819 WUZKAAYDXGPXSS-JFIYKMOQSA-N 291.479 4.654 30 10 CJEE C=CCCC[C@H](C(=O)N(C)C[C@H](C)CC)c1ccccc1 1360485773 ODYRKWPHCUHZEJ-AEFFLSMTSA-N 287.447 4.631 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC(C1CCC1)C1CCC1 1439077466 CRJQODXUILBCHT-UHFFFAOYSA-N 291.479 4.702 30 10 CJEE C=CC[C@@H](CC)NCc1cc(C(F)(F)F)ccc1Cl 1461463973 ONHRXAGSTAMREQ-GFCCVEGCSA-N 291.744 4.803 30 10 CJEE C=CCCCCCN(C1CC1)[C@H](C)c1ccccc1 1473460925 ILUQECHFYFPJCF-MRXNPFEDSA-N 257.421 4.958 30 10 CJEE C=CCCCCCN(CC)c1ccc(Cl)cc1 1473823195 RRIKFBVYQPGNRZ-UHFFFAOYSA-N 251.801 4.913 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCCC)CCCC 1478964490 QFAOWMOUOBMNBR-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CC[C@H](C(=O)NC1CCC(CCC)CC1)c1ccccc1 1518378159 HRQQHSHJSGFFPF-KVZIAJEVSA-N 299.458 4.821 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](CC)CCC)c1ccccc1 1519872720 GDKZJIUXVXGPSF-ROUUACIJSA-N 287.447 4.821 30 10 CJEE C=CC1(CC(=O)Nc2ccc(CC)cc2)CCCCC1 1522312338 DEBMZLUZBSHIEF-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 1524538575 UDLDAOABUAPSCE-PIIMJCKOSA-N 291.479 4.846 30 10 CJEE C=CC(C)(C)CC(=O)Nc1c(CC)cc(C)cc1CC 1525066957 SDDNCTRDUCULGO-UHFFFAOYSA-N 273.420 4.661 30 10 CJEE C#CC[C@@H](NC(=O)C[C@H](C)CCCCCC)c1ccccc1 1526257360 DIMDVOMPMNEGAN-IEBWSBKVSA-N 299.458 4.864 30 10 CJEE C=CCC1(C(=O)NCc2ccc(C3CCC3)cc2)CCCC1 1538565432 XOWQPBPGNSCLBK-UHFFFAOYSA-N 297.442 4.707 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 1538939500 WCGYGDLFSHXYTA-ZWKOTPCHSA-N 280.367 4.651 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C)c(C)c3ncccc23)CC1 1539672945 SPVKZELILHZOBO-UHFFFAOYSA-N 294.398 4.537 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 1544562524 AGGLMNOZNSFYTP-MRXNPFEDSA-N 291.822 4.606 30 10 CJEE C#CCN(Cc1cccc(OC(C)(C)C)c1)C1CCCCC1 1559514297 YEWMNBHIOFATNB-UHFFFAOYSA-N 299.458 4.632 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Cl)c(OC)c1 1559553920 OPQDLKVLYWYFBN-UHFFFAOYSA-N 281.827 4.527 30 10 CJEE C=CC[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1565760469 DMABDRKNJUGRDY-CZUORRHYSA-N 293.838 4.551 30 10 CJEE C=CCCC1(CNC(=O)[C@@]2(C)CC=C(C)CC2)CCCC1 1587244493 WPZYCEKMQSUQBK-SFHVURJKSA-N 289.463 4.766 30 10 CJEE C=CCCCCN(CCC)[C@@H]1CCc2ccccc2C1 1641580908 FHUCYCWEQFXHFY-LJQANCHMSA-N 271.448 4.612 30 10 CJEE C#CCCCCCCOc1ccccc1C(F)(F)F 1643608652 VWFJWAFQHDMWHK-UHFFFAOYSA-N 270.294 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2179345653 VBBSPMMHDLBIJF-UHFFFAOYSA-N 277.392 4.519 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@](O)(CC)C[C@H](C)CC 2179677620 LESAZSRZHYXQOD-FGTMMUONSA-N 283.500 4.678 30 10 CJEE CC(C)CCC[C@@H](O)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2181675656 HJTVYRQZTNDSBY-HZPDHXFCSA-N 280.452 4.515 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 2181675802 HTFYBBIRSPLMGS-UMVBOHGHSA-N 272.388 4.968 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)CCCC(F)(F)C2)CC1 2184838225 LZNZUZAESIUAPJ-INIZCTEOSA-N 285.422 4.928 30 10 CJEE CC1(C)C[C@H](CC2(C#N)CCC(F)(F)CC2)C(C)(C)O1 2184892845 JMAAXNJLOZLGCA-GFCCVEGCSA-N 285.378 4.689 30 10 CJEE C=C(C)CN(c1ccccc1[C@@H](C)NCCC)C(C)C 2186473053 XUXDEAHGDQWYKY-MRXNPFEDSA-N 274.452 4.538 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)CCCOC1(C)C 2187030478 JPOICZMELGAEGZ-SFHVURJKSA-N 281.484 4.696 30 10 CJEE C[C@@]1(C(=O)CC#CC2CCCCC2)CCCC(F)(F)C1 2188648766 HIZCUOPRNDLYKN-MRXNPFEDSA-N 282.374 4.745 30 10 CJEE CCCCCCCC[C@H](NC)c1ncc2ccsc2n1 2189196911 OUFLRBLAZWDWLO-AWEZNQCLSA-N 291.464 4.702 30 10 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4.955 30 10 CJEE C=C[C@H](N[C@H](C)c1ccc2ccccc2c1)C1CCC1 2197822341 ICTPRGKOMDDRQZ-KUHUBIRLSA-N 265.400 4.845 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@H]1c1ccccc1)[Si](C)(C)C 2200041385 MCYGNFOBXMCHJV-RCCFBDPRSA-N 287.523 4.592 30 10 CJEE N#Cc1cc(F)c(NC[C@H]2C[C@H]2C2CCCC2)cc1Cl 2200141345 XTKARJRMOYGIKC-OLZOCXBDSA-N 292.785 4.589 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@]1(C)CCCC1(F)F 2203808996 BQEBTQLDFUZFTH-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCC1 2203823303 OIKBQLUVFJSJCT-QRVBRYPASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@H](NCCC)c1nc(C)sc1C 2203828225 PCZMYIYMFJGTKG-INIZCTEOSA-N 292.492 4.774 30 10 CJEE CCCCCC#CCN(C)C[C@H]1C[C@H]1C1CCCCC1 2203859662 QMEYYNUWRLSJLK-MOPGFXCFSA-N 275.480 4.718 30 10 CJEE CCCCCCCCCC[C@@H](NC)C12CC(C)(CO1)C2 2205173587 CVKFFHBLCANVGI-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CC[C@]12CO[C@](C[C@@]3(C=O)CCCC(C)(C)CC3)(C1)C2 2205257526 RBTBNSZURZMQSS-KURKYZTESA-N 278.436 4.511 30 10 CJEE C=CCCCCCCOc1ccc(C)cc1[C@H](C)NC 2206894232 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XEBRWQBSVMZCFS-CQSZACIVSA-N 258.471 4.852 30 10 CJEE C[C@@H]1C[C@@](C#N)(C/C=C/c2ccccc2)CCS1 2219077403 BUSJNDPVGLLJIM-LTVAEWHBSA-N 257.402 4.515 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1C[C@@]1(C)C(F)F 2220089383 PSPJNSZUIBDJNL-VNHYZAJKSA-N 259.384 4.522 30 10 CJEE C=CCCCCCCCN1CCC[C@H]1C(F)(F)F 2220305529 NLLLVNWQFDKXDJ-ZDUSSCGKSA-N 263.347 4.540 30 10 CJEE C=CCCCCC[C@H](CCCC(C)(F)F)NCC 2222277677 IKGJZGCWCXDLQS-CQSZACIVSA-N 261.400 4.927 30 10 CJEE C=CC1(C[C@@H](NCCC)C(C)(C)CCC)CCC1 2222308156 UMFWDJXHXBFLTG-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@H](CCCC(F)F)NCC)CC1 2222461160 ZTXKCQPVZVVNLB-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=C(CC)C[S@@](=N)(=O)CCCCCCCC1CC1 2223112147 ACWFPCJPCVAEBF-SFHVURJKSA-N 271.470 4.750 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](C)C(F)(F)F 2223847875 JDUVWLZJSRICSI-CHWSQXEVSA-N 267.379 4.914 30 10 CJEE CCCC#C[C@H](CSc1ccc(Cl)cc1)NCCC 2225437228 UCHPIDCQXWKBSQ-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE C[C@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C1CCC1 2225687494 HIKIUGJBDGJBFY-ZANVPECISA-N 296.197 4.606 30 10 CJEE CCC1CC(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)C1 2225692026 TUDZJJNZTOELQH-SRHKJQAYSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(C)(C)OC(C)C 2227270998 JHZAHIAXGMSOQA-MRXNPFEDSA-N 269.473 4.695 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cccnc1C 2227275726 ZNDKYOVIFAHJDT-QGZVFWFLSA-N 261.409 4.514 30 10 CJEE C=CCCCCCCC[C@@]1(O)CS[C@@H](C(F)(F)F)C1 2227281923 IKVPXHYDCNJDQU-OLZOCXBDSA-N 296.398 4.702 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(COC)cs1 2227282209 AJOIIQWKXJDUID-HNNXBMFYSA-N 281.465 4.811 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCc2scnc21 2229755992 SPGHOGUPJDTOGS-CQSZACIVSA-N 278.465 4.637 30 10 CJEE N#Cc1ccc(SCCCCCCC2CC2)cc1N 2230876276 QJONHWNDBVNWDS-UHFFFAOYSA-N 274.433 4.593 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](N)[C@H]1CC 2231014629 FXKPWXVTZGAVGX-IXDOHACOSA-N 269.473 4.660 30 10 CJEE CCCCCCCOc1ccsc1CNC1CCC1 2231467759 OSMINLXSIWGTKW-UHFFFAOYSA-N 281.465 4.739 30 10 CJEE C=CC[C@H](CC[C@@H]1CCCC1(F)F)CNC1CCC1 2231527952 WFTOJJLTLVRIGR-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE CCCCCCCC[C@]1(CN[C@@H](C)CC)CCOC1 2231541276 WBAQVWUWESZYGZ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCOc1ccc(C#N)c(F)c1F 2231849341 DGXBMWGEKNNDDN-UHFFFAOYSA-N 267.319 4.576 30 10 CJEE CCCCCCCC[C@]1(C)NC2(CCCC2)CCO1 2231853497 ATHHFWADJBVUEY-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC(CC)CC 2231928728 INEKYUGFNLHIEX-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE C=CCCCCCCCCO[C@@H](C)[C@H](C)CNCCC 2234055245 ASHGREILISYGBK-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1OCC[C@@H]1C)NCC 2235518639 INKDDPFRRRTVOZ-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC(=O)c1cc(F)ccc1OC 2235536852 YRUMTLBSXGAIHR-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE CCCCCCCCC[C@@H](CC12COCC(C1)C2)NC 2236295930 QAKPZRGJENZDIC-ADKAHSJRSA-N 281.484 4.532 30 10 CJEE C=C(c1ccccc1)[C@H](CCCC(F)(F)F)NCCC 2238210376 LHPQEPWZAPTSLY-HNNXBMFYSA-N 285.353 4.801 30 10 CJEE CCCCCCCCCCCOCC1(C(=N)N)CCC1 2239481929 LCEFQQGMYDGZHU-UHFFFAOYSA-N 282.472 4.640 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)CC1=CCCCC1 2239563679 ORUMXEBPQNLXAW-SFHVURJKSA-N 287.834 4.560 30 10 CJEE CCCCCCCC[C@@]1(CNC2CCC2)CCCOC1 2240093938 DCGVPNNRBCEPGF-SFHVURJKSA-N 281.484 4.676 30 10 CJEE CCCCCCCC[C@]1(C)N[C@H](c2ccccc2)CO1 2240567124 ZPXATTVESIDYRX-ZWKOTPCHSA-N 275.436 4.814 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCCC)C(C)(C)C 2240654243 PPBDIAJYMBNYAE-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](C(C)C)C1 2240658302 QSXVBHQIZJYWEC-RCCFBDPRSA-N 283.500 4.919 30 10 CJEE C=C(CC)C[C@@H](O)c1scc(Br)c1Cl 2241234232 HOLVOPGSWIWBRV-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1cc(Cl)c(Cl)cc1C 2243864683 PVLVOUWZZRSKOU-OQPBUACISA-N 258.192 4.514 30 10 CJEE CC(C)=CCC[C@H](C)CCOCCCCCS 2248945167 FFDVHIRPIYPXCD-HNNXBMFYSA-N 258.471 4.876 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C#N)cc1Br 2249874998 WIEIDGLBRRQUNY-GFCCVEGCSA-N 296.208 4.668 30 10 CJEE CCCCCCCN(C)c1cc(Cl)sc1C=O 2250728280 BXQIPIIVCWXNIK-UHFFFAOYSA-N 273.829 4.621 30 10 CJEE CCCCCCCCC[C@]1(C)NCCCCS1 2252952882 LBRORRBILNCJHI-OAHLLOKOSA-N 257.487 4.960 30 10 CJEE Cc1ccc(Cl)c(F)c1CC=CC#CC(C)(C)C 2256694207 MELMLGGFSLARLZ-UHFFFAOYSA-N 264.771 4.936 30 10 CJEE C=C(C)CCCC[C@@H]1CC[C@@H](C)[C@@H](NCCC)C1 2259234835 HLUJFBQLPMNYNA-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE Cc1c(Sc2cc(Cl)ccc2Cl)ccnc1C#N 2260027628 XZIDNAQPPWNQBT-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnsc1C 2263672186 TVUDQIWIGJDIOV-OAHLLOKOSA-N 269.454 4.800 30 10 CJEE C#CC(C)(C)C[C@@](C)(N)CCCCCCCCC 2263673341 WIEUOXRIHMBKQS-KRWDZBQOSA-N 251.458 4.894 30 10 CJEE CC1(C[C@]2(C=O)CCC23CCC3)CC(C(F)(F)F)C1 2264645670 BMYHCWXVWWSBOF-YIZWMMSDSA-N 274.326 4.505 30 10 CJEE CCCC(CS)(CCC)CN1[C@H](C)C[C@@H]2CCC[C@H]21 2265445872 AUWKMEWJRZMCOE-OWCLPIDISA-N 283.525 4.766 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CC(F)(F)C12CCC2 2266143672 CCIDYMUDYSZSNI-CYBMUJFWSA-N 274.351 4.627 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(CCC)cc2)CC1 2268240952 BHCHUAGWZZZIRV-GOSISDBHSA-N 258.405 4.809 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)CCCCCCCCCCO 2271229725 FEZISJPTSUAOQE-SJORKVTESA-N 265.441 4.820 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccccc1C 2271484738 GZGFORMROPTUBW-KRWDZBQOSA-N 277.477 4.735 30 10 CJEE C=CCCSc1cc(F)cc(F)c1CN[C@H](C)CC 2271493730 GALGXBQLDSVBNK-LLVKDONJSA-N 285.403 4.521 30 10 CJEE C=C(C)CCCC[C@H](O)C1(C(F)(F)F)CCCCC1 2271772259 IYUXMWKIKOSBFQ-ZDUSSCGKSA-N 278.358 4.997 30 10 CJEE C=C(C)CCCCN[C@@H](C1CCCCC1)C(F)(F)F 2271781817 SBELYYAOZMSZKT-AWEZNQCLSA-N 277.374 4.834 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1c(C)coc1CC 2271792056 OUHKIZZDGYJVQL-OAHLLOKOSA-N 263.425 4.938 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1C2(CC2)C12CC2 2271836633 JAHDRVVQZMTWAW-HNNXBMFYSA-N 261.453 4.681 30 10 CJEE C=C1CCC(CNc2ccnc(C(C)(C)C)c2)CC1 2273644096 OBDLTORRHBWPCQ-UHFFFAOYSA-N 258.409 4.537 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(CC)CCCC1 2273975951 LHBCCHZPTWGQCJ-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC(C)CC1([C@@H](N)C#CC2CCCCC2)CCCC1 2273976466 NEKGRKXVMPIMNV-KRWDZBQOSA-N 261.453 4.504 30 10 CJEE CC(C)C1CCC(C=O)(CC#CC2CCCC2)CC1 2274130800 SOWZANLSAUAQEZ-UHFFFAOYSA-N 260.421 4.602 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCCC1(C)C 2276604217 AZXWEQOJXYPQDH-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CCCCC[C@H](OCCCN)c1sc(C)cc1C 2277266131 QTDGTGVPPRMJCC-HNNXBMFYSA-N 281.465 4.518 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCc2ccc(F)cc2)C1 2277451430 QSBSDBSPWGYXFM-PBHICJAKSA-N 259.368 4.868 30 10 CJEE C=CCC1(Nc2ccc3ccc(Cl)cc3n2)CCC1 2277673341 JKWQZTSQTPHMRZ-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@H]1CCC[C@H](CC#N)O1 2277709641 AEDBUJLVKBRNAH-NXEZZACHSA-N 289.322 4.599 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@@H](NCCC)CO1 2278170427 BHOJVHKABAQWDI-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCSC[C@@](C#N)(CC(C)C)NC(C)C 2278319791 LLOYFFLQPVBLDA-INIZCTEOSA-N 284.513 4.606 30 10 CJEE CN(CC[C@@H]1CCCCC12CC2)C[C@H](CS)C1CCC1 2279561466 SETCZJLEFUZHHD-SJORKVTESA-N 295.536 4.625 30 10 CJEE C#CCCN(CC[C@@H]1CCCCC12CC2)CC(C)(C)C 2279747767 YTLILIFTHGZOPJ-KRWDZBQOSA-N 275.480 4.718 30 10 CJEE CO[C@@H](CS[C@@H](CC#N)c1ccccc1)C1CCCC1 2283994022 PIXVKYBONXGNSI-IRXDYDNUSA-N 289.444 4.580 30 10 CJEE CC(C)c1ccccc1[C@@H](N)CC=CC#CC(C)(C)C 2284090442 PGODZYOHGSYKFX-SFHVURJKSA-N 269.432 4.806 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(C(F)(F)F)cc1F 2284096620 TWBCHLKWYRTNJL-UHFFFAOYSA-N 284.296 4.993 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@]1(C)CC=C(C)CC1 2284172564 ZQHABVANZYIPSR-PKOBYXMFSA-N 273.464 4.707 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1COC2(CCC2)C1 2284824299 WAWFULDLNBRHQU-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C[C@@H]1C[C@H]1CCCCCn1ccc2cc(C#N)ccc21 2284945145 IYJLWBGFSOWISO-GDBMZVCRSA-N 266.388 4.729 30 10 CJEE CC#CCCCCOc1cc(C)c(Cl)cc1[C@@H](C)NC 2286450463 ZTDMQSIMYXCQHH-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@](C#N)(NCC)C1 2287096656 NKEFDJHEPRQENT-IAGOWNOFSA-N 294.508 4.671 30 10 CJEE C=C(C)CCCC[C@H](NN)c1cc2cc(F)ccc2s1 2287398784 GLXFADMHRWINEA-AWEZNQCLSA-N 292.423 4.681 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc2ccccc2cc1N 2287468471 VHFVPYBSXTYRMI-GOSISDBHSA-N 269.388 4.592 30 10 CJEE CC(C)CCC[C@@H](C)CCN(C)[C@H](CC#N)C(F)(F)F 2287967133 SCUJUBXAIJHGRC-ZIAGYGMSSA-N 292.389 4.615 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@]12COC[C@H](C1)C2 2288796782 MVGDBCXDWSHQML-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC1CCCCC1 2289708145 ASPZZOBDECFWJA-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)ccc1F 2289711097 HSCMDDXHKWQJHF-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc2cc(F)ccc2s1 2289846102 RPGRZVHMFWLISG-OAHLLOKOSA-N 288.387 4.658 30 10 CJEE CC(C)c1ccc([C@@](C)(N)CC#CC2CCCC2)cc1 2289901430 PLBTUMZHKCGPOZ-IBGZPJMESA-N 269.432 4.568 30 10 CJEE C=C(C)C[C@@H](Cc1cccc(C(C)(C)C)c1)NCCC 2290286937 SXHMVLCYLZRXQZ-SFHVURJKSA-N 273.464 4.861 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@]12COC[C@H](C1)C2 2290356729 JLDTXYXNQLQFQV-KURKYZTESA-N 281.484 4.532 30 10 CJEE C=C(C)CCCC[C@H](OCCC(=O)O)c1ccsc1C 2291753592 LQKJGVYPOUGMQF-HNNXBMFYSA-N 296.432 4.725 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C1=CCCC1 2292999428 GPSOUDCCUWYAPN-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC[C@H](C(C)C)CC1 2293299776 BMZAHIRKMQAUSU-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1CC[C@H](C)C1 2293307333 VGERSGGXXAXAIJ-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(CC[C@H]1C[C@@H]1C)OCCCN 2293767553 MTBWLQAZBOHQAM-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)[C@@](C)(OCCCN)C1CCC(C)(C)CC1 2294536153 QWWULRRZVQJRGH-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE C#Cc1ccc2c(ccn2CC23CCC(CC2)CC3)c1 2295176184 XLCOQQTUTQCMFD-UHFFFAOYSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](CC(C)(F)F)CO1 2295535889 ICAILJVKPXIXJC-HOCLYGCPSA-N 291.426 4.877 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C(F)(F)F)[C@H](C)O1 2295537496 ZUGMHYJBRUCPOF-BFHYXJOUSA-N 295.389 4.783 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccsc1C 2295675564 COGJBWKXKSYFTN-SJORKVTESA-N 297.508 4.948 30 10 CJEE C=CC1(C[C@](N)(c2ccccc2)C2CCCC2)CCC1 2295780528 IKHQEAIMWOLGPE-IBGZPJMESA-N 269.432 4.777 30 10 CJEE C=CCC(CC=C)OC(=O)c1scc(Cl)c1Cl 2298831132 ZNHANPPRTAUAHK-UHFFFAOYSA-N 291.199 4.733 30 10 CJEE C[C@@H]1C[C@@H](C)C1OCCCCCCCCCS 2301276875 FHTUCRCLZUHWOL-ZIAGYGMSSA-N 258.471 4.708 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1c(Cl)cc(C)cc1Cl 2307611883 QIVALDFPQDYFDS-IINYFYTJSA-N 272.219 4.904 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]1C(F)(F)F 2308739845 GOQPEKDCEZNXTD-AGIUHOORSA-N 265.363 4.523 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)c(N)cc1C(F)(F)F 2313637576 FSRXDLFWJAIPHH-SECBINFHSA-N 275.339 4.653 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1C(=O)O 2313638605 MLNHPUKUWCTSFH-UHFFFAOYSA-N 282.792 4.651 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CCC1(F)F)NCC 2313738486 ZCTDHYRRNHKJEN-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(CC)C(F)F 2315004321 SRDFPVDDCYOFFO-UKRRQHHQSA-N 261.400 4.912 30 10 CJEE C=CCC(CC=C)C1(O)CC(C)(C)CC(C)(C)C1 2316709377 KQEIMPAOLWZMIS-UHFFFAOYSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2316734739 VDMYOASIYSIZOL-HUUCEWRRSA-N 250.426 4.578 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCC1CC1)NCC 2321132115 WTQPQKUFXJOVGZ-DLBZAZTESA-N 251.458 4.927 30 10 CJEE CCn1cc(C=NNc2ccc(C)c(C)c2)c2ccccc21 2322922747 NNUUONMSAFZKAW-UHFFFAOYSA-N 291.398 4.724 30 10 CJEE CC(C)(C)[C@](C)(CS)COCc1ccc(Cl)cc1 2327166276 RAAIUPZTEHVEOE-HNNXBMFYSA-N 286.868 4.839 30 10 CJEE CSc1cc(Sc2ccccc2F)ccc1C#N 2328540233 IPEQMTKZEACXFH-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2338743140 BYWRVUUFKVOVOR-SPUZQDLCSA-N 261.453 4.559 30 10 CJEE C#CC[C@@H](C[C@H](N)c1ccc(Cl)c(Cl)c1C)C1CC1 2339013141 HMDCUFIVBDTDRJ-WFASDCNBSA-N 296.241 4.741 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1ccc(F)cc1Cl 2339905775 RLHLKXJDCYNVDG-NSHDSACASA-N 273.738 4.634 30 10 CJEE C=C1CC(C[C@H](CCC2=CCCCC2)NCCC)C1 2340211653 NQHFGYZJIPEQRB-SFHVURJKSA-N 261.453 4.992 30 10 CJEE CN(C[C@H]1CCC(C)(C)C1)CC1(CS)CCCCC1 2342690379 JBRAMJMESHLWHT-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C=CCCC[C@](O)(CC)c1ccc(C(F)(F)F)cc1 2343778517 AAYVJHPHCJUVNV-CQSZACIVSA-N 272.310 4.659 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NCCC 2344337062 NUCZYERIJBFGGQ-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC 2344341580 CNSYWGSHRJYFRT-JCECYMMASA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@H]1C(F)(F)F)NCC 2344348715 MYBXWAFFDOYJCH-FQUUOJAGSA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2344371653 LXIAABDDEOUMJQ-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCN(C)C1CC(CCSC)C1 2344495343 ZTWMELWEZVVUMA-UHFFFAOYSA-N 283.525 4.977 30 10 CJEE C=C[C@]12C[C@H](CCN1CCc1cc(Cl)cc(Cl)c1)C2 2351889325 UBECBSIXASNASK-AKAXFMLLSA-N 296.241 4.576 30 10 CJEE C=CCC(CC=C)S[C@](C)(CC1CCCC1)C(=O)O 2351992902 VUEIXXXMCZAWLO-MRXNPFEDSA-N 282.449 4.664 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCC12CCC2 2352731167 FZTFXIISWDWJAK-MBNYWOFBSA-N 274.326 4.505 30 10 CJEE CCCCCCC[C@@H](NC)c1cncc(C(F)F)c1 2353494913 WPAXFVALSMLURC-CQSZACIVSA-N 270.367 4.640 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1O2 2353901856 RDNQJJVPRMAKKH-BSDSXHPESA-N 281.484 4.673 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2358321619 BKBHCZHSFNWURY-XCDZQEORSA-N 275.480 4.927 30 10 CJEE CC1(C)[C@H]2CC[C@H](CNc3ccc(Cl)cc3C#N)[C@@H]1C2 2359517901 UOCZUMAJQGIAOR-ZLDLUXBVSA-N 288.822 4.696 30 10 CJEE Cc1cc(C)c(C(=O)/C=C\c2ccccc2)cc1C 33684392 ADISCMQRABRCOV-KTKRTIGZSA-N 250.341 4.508 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cc(Cl)ccc1F 44822622 QGHIYZKUMZQZCI-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE Cc1ccccc1[C@H](C)Nc1cccc(Cl)c1C#N 49943005 OPJAMXVYRLVKKV-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@@H](CCc1ccccc1)c1ccccc1Cl 57685500 DNIKHXXJBJIMSE-CQSZACIVSA-N 255.748 4.580 30 10 CJEE CCCCCCCNc1cccc(Br)c1 59089041 GDPPHOFZCKOWHQ-UHFFFAOYSA-N 270.214 4.831 30 10 CJEE CCCCCCCCN(CCC)Cc1ccc(N)cc1 59267368 XXDXDIITTGGMFG-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE Cc1cc(C)cc(/N=C/c2c(C)cc(C)cc2C)c1 59513835 PKMWJZIEWGLSGH-YBFXNURJSA-N 251.373 4.979 30 10 CJEE Cc1ccc(Sc2nc3c(cc2C#N)CCCC3)cc1C 70139622 MIAQRPWZRJHIEI-UHFFFAOYSA-N 294.423 4.600 30 10 CJEE CC(C)(C)c1ccccc1N[C@H]1CCCCC[C@H]1C#N 71174204 BTQPFEDFEHCUOO-HOCLYGCPSA-N 270.420 4.868 30 10 CJEE CCCCCCCCCCN(CCC(=O)O)C(C)(C)C 88379061 SYABFJDHKZYNDJ-UHFFFAOYSA-N 285.472 4.702 30 10 CJEE C=C(C)C[C@H](NCCC)C1CCC(C(C)C)CC1 92129834 QKMMKZIVJUPLQY-JCYILVPMSA-N 251.458 4.783 30 10 CJEE CCC1CCC(N(C)C[C@H](CS)c2ccccc2)CC1 94581283 INPMHSZSQQIPRV-IIIMJFFVSA-N 291.504 4.601 30 10 CJEE CCc1ccccc1N/C=C\C(=O)c1cc(C)ccc1C 103030883 PPQBBZQOWHSSIS-QXMHVHEDSA-N 279.383 4.674 30 10 CJEE CCCCCCCCOc1ccc(/C(C)=N\O)cc1 104679125 MMDGDTXNVVBARN-VKAVYKQESA-N 263.381 4.624 30 10 CJEE CCCCCCCO[C@@H](CNCC)c1ccccc1C 110067786 NSWYGRAESGSQLE-SFHVURJKSA-N 277.452 4.633 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2Cl)cc1Cl 110250832 DTJPAKGAOJJLFN-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](NC)C12CCCCC2 117341611 RIPFXVGORXTLIK-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCN[C@H]1CS[C@H](C)C1 124780420 XIVUSDGBKNFGJY-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H](OC)C1 124849191 PRLUXXKKGJPDBG-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CSc1cccc(NC2C[C@@H](C)C[C@H](C)C2)c1C#N 127070451 DMUDZLHVEXUPEB-RYUDHWBXSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCCNc1nc2cccc(C)n2n1 129404115 BRRXVPWTHMNZKR-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Nc2ccc(F)cc2)C1 129800869 UDQQYZUCQXXTQC-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE CCCCCCCCCOc1ccc(C(N)=S)c(F)c1 133451956 WVMCRKGQZNUYRF-UHFFFAOYSA-N 297.439 4.589 30 10 CJEE CCCC(C)(C)Nc1ccc(C#N)c(C(F)(F)F)c1 133728168 CGGLXYCCOSFRJW-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE CCCCCCCCC(=O)[C@H]1SCCS[C@H]1C 135665727 SSMIDNQHZIUREU-JSGCOSHPSA-N 274.495 4.543 30 10 CJEE CCCCCCCCC[C@@H](COC(C)(C)C)NC 139417224 UNLMUAUJFYXIKS-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)(C)C 156207075 RGXAPTLLDUAJAT-BZUAXINKSA-N 251.458 4.639 30 10 CJEE C[C@H]1CC[C@](C#N)(Nc2cccc(F)c2)c2ccccc21 163864066 XYLODYLMBIMSPO-SCLBCKFNSA-N 280.346 4.554 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 185207877 LTBZDLATWLJBRX-CJNGLKHVSA-N 291.822 4.606 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(Cl)c(Cl)c1 220988643 AUAYKHJLSVDUGK-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)CCC[C@H](C)C1 226464675 KHBPVBDMTSYVSR-WMZOPIPTSA-N 281.484 4.994 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1 228819321 BHZKVDQUDYHEFU-CVEARBPZSA-N 259.437 4.890 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Cl)ccc1C 229735387 DAKNHPJJNCBNLI-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 229759955 MRSDBBXAELANCM-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CC1(C)C(Nc2ccc(C#N)c3ccccc23)C1(C)C 232808647 LGWJEZOSRKEIAH-UHFFFAOYSA-N 264.372 4.558 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc(Cl)sc1Cl 233166051 IGHBIBYUAXPKDE-LLVKDONJSA-N 290.259 4.899 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(OCCC)c1 233245441 FPEVOWUMIVUWMT-KRWDZBQOSA-N 262.393 4.645 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(C)c(Cl)c1 235805680 DBGGWQZUCKQIHT-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE O=C(C1=CCCCCC1)c1cc2cccc(F)c2o1 236163529 SZBQTFUUANRHAM-UHFFFAOYSA-N 258.292 4.645 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCOC2(CCCCC2)C1 236406141 WAZQZAVZJYNKLO-INIZCTEOSA-N 276.420 4.576 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1C)c1cc(Cl)ccc1Cl 251121446 WJMRZUPIHBOLPK-JRKPZEMJSA-N 259.176 4.664 30 10 CJEE COc1ccc(N=Cc2cccc(Cl)c2Cl)cc1 252463221 ZTCHNOWABZJIHF-UHFFFAOYSA-N 280.154 4.753 30 10 CJEE C[C@H](C#N)Cc1csc2c(C(F)(F)F)cccc12 260048769 CFYVSSALVYMEHI-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(CC)CC 279139055 BWSSPIRPWQGAMS-UHFFFAOYSA-N 273.420 4.913 30 10 CJEE CC1CCC(C#N)(CCc2ccc(Cl)cc2)CC1 308555047 ZAHUJWNBLTZPJH-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE C=C([C@H](NCCC)c1cc(C)c(C)s1)C(F)(F)F 311197170 ISUXTLLYMVYTFF-LBPRGKRZSA-N 277.355 4.524 30 10 CJEE CC(C)(C)C#CCSc1ccc(O)c2ccccc12 311368045 HJTINRCHXRFZGR-UHFFFAOYSA-N 270.397 4.687 30 10 CJEE CCC(=CC(=O)Cc1ccccc1C(F)(F)F)CC 311907877 ZJMDCYMTYSYWKI-UHFFFAOYSA-N 270.294 4.563 30 10 CJEE O=CC1(CCCOCc2ccccc2)CCCCCCC1 316948443 GRNMQWLKWWMEAO-UHFFFAOYSA-N 288.431 4.913 30 10 CJEE C=CCCCCC[C@@]1(CNCCOC)CCC[C@H](C)C1 318343617 VHZYAALVCGNGLR-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE C=C(C)CCN[C@@H](CCC)c1ccc(Cl)cc1 386925842 SGHLWODSXGECCI-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CCC1CCC(C2(C#N)Cc3ccccc3C2)CC1 388807295 QMXXYYORDXTHNP-UHFFFAOYSA-N 253.389 4.512 30 10 CJEE CC(C)c1cccc(N=C2N[C@@H](CC(C)(C)C)CS2)c1 393495381 VRIQBDZAXJBZOC-HNNXBMFYSA-N 290.476 4.939 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cccc(Br)c1 394972116 SFOYGJOCIJBCJA-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE CC[C@H](/N=C1/N[C@H](C2CCCC2)CS1)C1CCCCC1 395066186 ILCNQZPLVHGXSN-HOTGVXAUSA-N 294.508 4.597 30 10 CJEE CCCC(CS)(CCC)CN(C)C1CC(C)(C)C1 395372216 LMHLGUZPYXMZES-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(C)cc1Br 398117063 PPBLCYSKODBRSC-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H]1CCOC1 401324686 AVOMGAAHRBELCM-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 457278110 LGPHEQAAHGUUTB-WMZOPIPTSA-N 297.442 4.733 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 513036745 KCVHPNYZVWFTBQ-KANFNMMFSA-N 297.442 4.526 30 10 CJEE N#CCc1cnc(Cl)c(-c2cc(Cl)ccc2Cl)c1 514263900 YOPMXCWKDSLIFI-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccnc2)C1 651699813 IGNMBDQBGGLULO-UXPWSPDFSA-N 292.426 4.505 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC 686692586 FIWSWOINKQZKSK-QRVBRYPASA-N 277.496 4.868 30 10 CJEE C#CCCCCC[C@H](CCC1CCCCC1)NCC 686696092 VCHFSAKCNIDNOP-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C[C@@H]1CCC[C@H](CC/N=C2/NC3(CCCC3)CCS2)C1 687319764 FGULLJVWSKBFLQ-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@]2(C)CCC[C@]2(C)O)C1 688341169 FYBWQEYIHBNQSK-IRXDYDNUSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@H](NC)C1CC2(CCC2)C1 691962217 WGYGHUUCUJAAJU-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCC1CCC(C=O)(C[C@H](C)c2ccccn2)CC1 692924492 SAQJNLJORUICLU-HJOIGYKYSA-N 273.420 4.751 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(C(F)F)CC1 697630817 RJBBSECFLVORLX-CYBMUJFWSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1cscn1 697915618 CKSKYCPGHNHWSI-STQMWFEESA-N 254.443 4.543 30 10 CJEE CCCCCCCC[C@H](Cc1nnc(C)s1)NCCC 698859538 SXGYPRUJDDUUNQ-OAHLLOKOSA-N 297.512 4.508 30 10 CJEE C=CC(C)(C)CCN[C@H]1C[C@H](C)Sc2sccc21 706433898 LABFJZTZTWOFFE-AAEUAGOBSA-N 281.490 4.865 30 10 CJEE N#Cc1ccc(Cl)cc1N1CC[C@@H](C2CCCCC2)C1 708814407 JMWCAPIOSAHWOZ-OAHLLOKOSA-N 288.822 4.618 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 709105089 FUZFOZZVQWEPMU-FZMZJTMJSA-N 277.795 4.589 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 710642724 CLENCVJLZFLFDS-RBSFLKMASA-N 271.876 4.817 30 10 CJEE C=C(Cl)CC(=O)C1(c2ccccc2)CCCCC1 710651084 NLXXQLNIOMJDHO-UHFFFAOYSA-N 262.780 4.600 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(Cl)cccc1Cl 715720968 PKMSRAPTJWUHPC-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)C1(CNCC)CCC(CCC)CC1 715808274 SSBANWBCIWDFEV-KLAILNCOSA-N 251.458 4.785 30 10 CJEE CCCC(CS)(CCC)CO[C@@H](C)C1CCC1 719754226 INWAASNPEOMABB-ZDUSSCGKSA-N 258.471 4.708 30 10 CJEE C=C1CCC(CN[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 724440839 KSCYZOYEUNQFIS-XYJFISCASA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](N)CSc2cccc(Cl)c2)CC1 724550741 ZUCPVYVTIYBHLZ-HNNXBMFYSA-N 295.879 4.896 30 10 CJEE C=CCN(C(=O)C1(c2ccccc2)CCCCCC1)C(C)C 1124893304 TUCGJESLHJCBAG-UHFFFAOYSA-N 299.458 4.702 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccccc1)C1CCCCC1 1125218434 RAKPAOVDTZYRBR-UHFFFAOYSA-N 285.431 4.704 30 10 CJEE C=C[C@H](OC(=O)c1coc2ccccc12)c1ccccc1 1131134321 HNYJGPBQJBPJNM-INIZCTEOSA-N 278.307 4.517 30 10 CJEE CCCCCCCCN1CCC([C@H]2CCCCO2)CC1 1174624002 WTSWNFFUOFXBGB-GOSISDBHSA-N 281.484 4.628 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 1193931823 OEHHPKCYJGJGOQ-UYAOXDASSA-N 283.459 4.757 30 10 CJEE C=C(Cl)CN1CC[C@H](c2cccc(Cl)c2)C1(C)C 1197483250 PPCFTEWPFIIQJT-CQSZACIVSA-N 284.230 4.660 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1289617551 MKBHGFSMGIBHNK-UHFFFAOYSA-N 297.357 4.587 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H]1C=CCCCCC1 1307424454 WCDKBKVDQZIIMK-SFHVURJKSA-N 285.431 4.572 30 10 CJEE C=C(CC)CN(CC)[C@H](Cc1ccc(F)cc1)C(C)C 1307498381 COAPQAAZRNLJAM-GOSISDBHSA-N 277.427 4.681 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@H](SC)C1 1307505496 HLQSDDYADWNMCT-CABCVRRESA-N 257.487 4.563 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 1455477343 TZVJFWCBUOFNNO-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=CC1(CC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)CCCCC1 1456825601 LBVVOKINKYGHJR-JKSUJKDBSA-N 289.463 4.550 30 10 CJEE C=CCCCCN1CC[C@@H](C)Sc2ccccc21 1459688329 VZBXIKOHTHELKD-CQSZACIVSA-N 261.434 4.734 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(C)n(-c3ccc(C)cc3)n2)C1 1461377693 NSMIMFXCIYQFPB-IRXDYDNUSA-N 295.430 4.646 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)Cc1ccc(Cl)cc1 1462163027 KSOAVIYGYMNJHV-JKSUJKDBSA-N 265.828 4.605 30 10 CJEE C=CCC[C@H](CC)NC[C@@H]1CCC[C@@H]1c1ccccc1 1462277792 MOPHULHXSKAVCD-GBESFXJTSA-N 271.448 4.905 30 10 CJEE CC(C)CN(C[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 1473247286 DOVMMJPTLYFCEL-FUHWJXTLSA-N 284.447 4.847 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1ccc(F)cc1)C(C)(C)C 1523891945 PJILTKPQSCHMOM-AWEZNQCLSA-N 291.410 4.555 30 10 CJEE C=CCCC(=O)O[C@@H](c1ccccc1)C1CCCCC1 1529245685 KAXNSLFOTROCKJ-SFHVURJKSA-N 272.388 4.817 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](C)c1csc2ccccc12 1539753677 LQXGHNCUBAGRDQ-LBPRGKRZSA-N 287.428 4.681 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccccc1SC 1544578916 NEENEJVQOOQMPL-BLLLJJGKSA-N 278.417 4.615 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cc2c(cc1C)OCO2 1560750182 VKYZYCUIIOGOOX-CQSZACIVSA-N 275.392 4.661 30 10 CJEE C=C1CCC(CN[C@H]2CCC[C@H]2c2ccccc2)CC1 1561001188 NDTNFDPKKGROIK-OALUTQOASA-N 269.432 4.659 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccccc1CCC 1562092874 TZIBDLIECJSSDB-AWEZNQCLSA-N 274.408 4.505 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C2CC2)cc1F 1563209764 FHXJHLIAHNYPEG-GFCCVEGCSA-N 290.382 4.569 30 10 CJEE C#CCCCCC(=O)Oc1cccc(C(C)(C)C)c1Cl 1586811831 QPUUQXWYCAJJGL-UHFFFAOYSA-N 292.806 4.737 30 10 CJEE C#CC1(NC(=O)C[C@H](C)CCCCCCCC)CCCC1 1596345250 WGBIEAYQZRDGOB-QGZVFWFLSA-N 291.479 4.825 30 10 CJEE C=CC(C)(C)CCCNCc1cccc2c(OC)cccc12 1621055659 DGTXGTCTCICCKQ-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C=C1CCC(CN[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 1621518045 VJIVCNNFEZRGNE-OALUTQOASA-N 299.458 4.569 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@H](c3ccccc3)C2)CC1 1621518182 YYUDKYARKHHMST-RBUKOAKNSA-N 269.432 4.659 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cccc2ccccc12 1623976322 LOXCVYBWUGMQEJ-UHFFFAOYSA-N 281.399 4.562 30 10 CJEE C=CCCc1ccccc1NC(=O)NC(CC)(CC)CC 1624133243 TYCAVVALUKBCSC-UHFFFAOYSA-N 288.435 4.896 30 10 CJEE C=C(C)CCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 1626044889 BKUICZWRKDGWLH-IBGZPJMESA-N 297.442 4.877 30 10 CJEE C#CCN(CCCCCCC)[C@H]1CCCc2ccccc21 1655692398 KCYZBYPBKMQHPW-FQEVSTJZSA-N 283.459 4.970 30 10 CJEE C=CC[C@H](C)Sc1ncnc2sc3c(c12)CCCC3 1656069237 FOQPWCKSUVLNFR-JTQLQIEISA-N 290.457 4.627 30 10 CJEE C=CC[C@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 1656500531 FGSHLUYEUOCJQE-NSHDSACASA-N 292.835 4.518 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)Cc1ccc(C(F)(F)F)cc1 1657924766 SUSFIHKALNTYKP-JKSUJKDBSA-N 299.380 4.971 30 10 CJEE C=CCCC(C)(C)NCc1ccc(F)c2ccccc12 1659721490 JHVSWEWBVRDZJD-UHFFFAOYSA-N 271.379 4.813 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(Cl)cc1F 1665514820 CUWZQPUVYFYZLD-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccccc1CCC 1667221791 PNIGCIHRTGWWEN-UHFFFAOYSA-N 288.435 4.897 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)(C)C 1885227225 HCPJRLSJMPVNEX-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@@H]1CCO[C@@H]1C 1885671903 LFSOLWOKRNUJPU-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CC(CCC)C1 1888683472 WOIAJAUAVVJDJJ-VJFUWPCTSA-N 257.421 4.504 30 10 CJEE C=C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)C1CCC1 1892931697 AXFNOSNZRRTKHU-BDVYOWHSSA-N 275.823 4.530 30 10 CJEE CC(C)C[C@H](CS)CSc1cccc(F)c1 1905528509 AQNUCAMETBVXRF-LLVKDONJSA-N 258.427 4.510 30 10 CJEE CC(C)c1ccc([S@@](=N)(=O)CCCC(C)(C)C#N)cc1 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251.329 4.507 30 10 CJEE N#C[C@@H](CNc1cc(Cl)cc(Cl)c1)c1ccccc1 83860922 DBLZUWIRBPFFSH-LBPRGKRZSA-N 291.181 4.713 30 10 CJEE Cc1ccc2c(c1)C[C@@H](CC1(C#N)CCCCCC1)O2 90902688 MHGRNCGCBLRBKF-INIZCTEOSA-N 269.388 4.553 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H](CC)C1 94579120 URCKOQOSNVALSJ-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE CCN(CC)CC[C@](C#N)(c1ccccc1)C1CCCCC1 95817851 VGUTXEYVDQAZOT-FQEVSTJZSA-N 298.474 4.760 30 10 CJEE CC[C@H]1CCCN1CCCCCCCCCS 97799147 JTOJFBAUFPFONP-HNNXBMFYSA-N 257.487 4.521 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 103983007 WZPDDNWHGTYZKH-OWCLPIDISA-N 270.457 4.549 30 10 CJEE Cc1cc(C#N)ccc1Sc1cccc(Cl)c1 104183645 HDTQQCZLLMHGAW-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCN1C[C@H](C)Nc2cc(Cl)ccc21 106596807 ZHIDULBMQIZRDM-ZDUSSCGKSA-N 280.843 4.931 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(C)cc1Br 107497892 QVYHKIHIRDEMMK-STQMWFEESA-N 279.221 4.911 30 10 CJEE CC#CCCc1c(OCCC)cc(C)c(Cl)c1C 107624940 RYQMRZOCJPWEBJ-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(C)cc(C)c1OCC 107663950 MXMSHOLNFNYYTC-HOCLYGCPSA-N 258.405 4.855 30 10 CJEE CC(C)CNC1(C#N)CCCCCCCCCCC1 110029103 VSCZVBZBIOODJF-UHFFFAOYSA-N 264.457 4.799 30 10 CJEE CCCCCCCCOCc1cc(CNC(C)C)c(C)o1 110171339 LSTGWDMCJIUZHP-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE CCCCCCCCN1C[C@H](CC)NCC1(CC)CC 114349072 FNCKRXIYORAENL-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](N)CSc1ccccc1 115648325 DOUYRKBPFTUHQN-HNNXBMFYSA-N 265.466 4.857 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)nc2ccccc12 118563258 KKQIKLJMIAMKQF-GOSISDBHSA-N 271.404 4.937 30 10 CJEE CC[C@@H]1CCCCCN1c1ccc(C(F)(F)F)cc1C#N 124967892 LKPOJPYCQIRSDY-CQSZACIVSA-N 296.336 4.736 30 10 CJEE CCCCCCCC(=O)CC(=O)c1cc(F)c(C)cc1F 127943698 DAJLGHGGKNKFGU-UHFFFAOYSA-N 296.357 4.776 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)nc1 129875572 PLFHQXYVQGMRRD-OAHLLOKOSA-N 297.874 4.770 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C(F)F)cc2)C1 131717837 CECPUEWFVPZOAV-SRCQZFHVSA-N 293.357 4.768 30 10 CJEE CCCCCCCCCC(=O)c1scnc1C 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Cc1ccc(N[C@H](C#N)[C@@H](C)C2CCCCC2)cc1 311758330 VUPWMNDZDXUDTG-WMLDXEAASA-N 256.393 4.516 30 10 CJEE C[C@H](CNc1cc(Cl)ccc1C#N)C1CCCCC1 311986354 DRTZWDPXHRQZDU-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE CC(C)C1CCC([C@@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)CC1 312583245 KVZABMYRJITSEL-BNGPMPHDSA-N 277.452 4.530 30 10 CJEE CCC1CCC([C@@]2(C=O)CCC[C@H](CC)C2)CC1 316761005 CPUUSVBAFMCYBM-XGHPGWEVSA-N 250.426 4.988 30 10 CJEE C#CCCCC1(CNC(C)(C)C)CCCCCCC1 318063417 ZTVYMZDGWDBZIR-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE CCCNC[C@@]1(CC#CC(C)(C)C)CC[C@H](CC)C1 318455975 QIAMYZCVVXFICE-WMZOPIPTSA-N 263.469 4.622 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc2cc(F)ccc2s1 379858350 WMFCPVNJABZLNI-CQSZACIVSA-N 289.419 4.741 30 10 CJEE CCCCCCCCCCCC(=O)c1c(C)cnn1C 380057325 UDFNDHAYRPGQLK-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE CCCc1ccc([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 381094429 XSPUGUSYRRMGQC-JKSUJKDBSA-N 286.224 4.589 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC[C@H]2C)CC1 384803237 YRRWOOHARJBMHM-ZJPYXAASSA-N 277.452 4.818 30 10 CJEE C=CCCC[C@H](C)n1c(C)cc2c1CC(C)(C)CC2=O 398313978 STHXNLSMHMEXEY-ZDUSSCGKSA-N 273.420 4.869 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(C(C)C)n1 410345155 PGOPSBQDBOYKGD-UHFFFAOYSA-N 294.398 4.576 30 10 CJEE CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 512633648 AJVDQBYZEMDSHQ-KUHUBIRLSA-N 296.389 4.808 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1C(C)(C)C1(C)C 686691219 PPTRDYQZUSYRGQ-OAHLLOKOSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)cc1C 686695297 JGBYABCTULPYFN-IBGZPJMESA-N 271.448 4.928 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CC2(F)F)C1 691229975 FBHDHXHLNMMFEV-LLVKDONJSA-N 255.352 4.778 30 10 CJEE CCCCCCCCCC(=O)c1cccc2c1CNC2 692819945 JTSWIACKUBCCBL-UHFFFAOYSA-N 273.420 4.613 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCOC1(C)C 693307987 GXHZNSBOXRHXFJ-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCc1ccsc1C(=O)OCC 693499098 ZRILUXDAYVDZIV-UHFFFAOYSA-N 268.422 4.828 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccccc1Cl 695888976 BNBBKLKJGAWVLJ-JTQLQIEISA-N 253.798 4.760 30 10 CJEE CCCCCCCCC[C@H](N)CC1C[C@H]2C[C@@H]2C1 698108215 SJPNZCFLZPLIPQ-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)Oc1ccccc1 700707123 UESRLFYWKWPQHB-OAHLLOKOSA-N 262.393 4.774 30 10 CJEE CCSc1cccc(OC2CCC(F)(F)CC2)c1C#N 703581061 KJYHUSKTANUWJD-UHFFFAOYSA-N 297.370 4.627 30 10 CJEE CCCCCCCCCNC[C@@H](C)Oc1ccccc1 703996954 YZBQIAKAUATTEM-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE CCCCCCCCC[C@H](CC1CC(OC)C1)NCC 704216285 FFDULMDDWUCYJA-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC[C@H]2CC[C@H]1O2 704918785 NOVHPVNLUXNFIG-BRWVUGGUSA-N 267.457 4.556 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2CCC[C@H]21 707770769 AKQFJFYHLJCHMA-RBSFLKMASA-N 273.445 4.955 30 10 CJEE O=C1C=C(c2ccc(F)c3ccccc23)CCCC1 714917690 QJFVXLNQVNJIEP-UHFFFAOYSA-N 254.304 4.505 30 10 CJEE C=CC[C@H](C)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 715062549 GKMZMTONZUSYIC-SDBXPKJASA-N 277.166 4.552 30 10 CJEE C=CCC[C@@H](NCCC)c1cscc1C(F)(F)F 717200954 TXVWZSUXZIQYDY-GFCCVEGCSA-N 277.355 4.774 30 10 CJEE 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NUDFZWGLFMBROW-OFLPRAFFSA-N 282.468 4.858 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(CC)N(CC)CC 2235523659 IAXUFPZNVUJXKU-GOSISDBHSA-N 281.484 4.983 30 10 CJEE C=CCCCCCCCC1(O)C(C)(C)C(OC)C1(C)C 2235524624 RWTOALCZDPHEIR-UHFFFAOYSA-N 282.468 4.715 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)C1(C(C)C)CCC1 2235536725 XKBOKGVWLVDNJI-QGZVFWFLSA-N 280.452 4.659 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(OC)c(C)cn1 2237877481 FVYWSXANOYJGCC-INIZCTEOSA-N 279.424 4.573 30 10 CJEE CCCCCC#CC[C@]1(N)CCC12CCC(F)(F)CC2 2238022767 IGFPDPXMGIHTMZ-INIZCTEOSA-N 283.406 4.647 30 10 CJEE CC(C)(C#N)CC[S@](=N)(=O)CCCCCCCC1CC1 2239351685 SMFPZEKOUMINEE-HXUWFJFHSA-N 298.496 4.724 30 10 CJEE CC1(C)CCC[C@@H]([C@H](N)C#Cc2ccc(Cl)cc2)CC1 2239455639 ZYBBUJHERIAFJC-NVXWUHKLSA-N 289.850 4.625 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CNC(C)(C)C)CC(C)C 2239480929 GTJGNTRRSIUJCH-IAGOWNOFSA-N 283.500 4.941 30 10 CJEE CCCCCCCCCCOC[C@@H](N)c1scnc1C 2239491826 FEXYTUVKSDLMDC-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE CCCCCCCCCOCCN[C@@H]1CCC[C@H](C)C1 2239492313 JAWYVFSFXVALRU-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOCC1(C(N)=S)CCCC1 2239498001 CTIWALAGKFHEOT-UHFFFAOYSA-N 299.524 4.990 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N 2239511854 YJDDDGMYLHHMQS-VVLHAWIVSA-N 281.484 4.680 30 10 CJEE CCCCCCCC[C@@H](C)N(CCN)C1CCCCC1 2240555438 HRCARGQJTNEHGB-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE C=CCC(C)(C)O[C@](C)(CCCCCCCC)C(=O)O 2240617225 BRCJLUSNYFOKFL-QGZVFWFLSA-N 284.440 4.952 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CCCC(C)C)NC 2240641929 GSRNPWMKXSZXRQ-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC[C@H]1C[C@H]1CC 2240644396 IVARMBCOXMZNNC-RYRKJORJSA-N 282.468 4.883 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1c(Cl)c(C)nn1C 2240896781 NHEYDPFAQFHJBE-CQSZACIVSA-N 297.874 4.559 30 10 CJEE CCC(CC)(CC)Nc1c(Br)cccc1C#N 2248971312 IBAZKSVPZRBPLB-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE C=C(C)CCCC[C@H](CCCSC)NCCC 2250153005 ZRLOTHXGBQFRLC-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C=O)CCS[C@H](C)C2)C1 2253994537 FOOLWNBEKUDITN-FPCVCCKLSA-N 268.466 4.694 30 10 CJEE CCCCC[C@@](O)(CC)CC=CC#CC(C)(C)C 2256687977 NVVVLKDDHQCJCF-KRWDZBQOSA-N 250.426 4.704 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCCC[C@H]1O 2259002159 YBZDUIONTQFZIX-HZPDHXFCSA-N 270.482 4.940 30 10 CJEE C=CCCCCCCCSc1nc(C)c(CO)s1 2259046085 QRMDOUWZXPILOO-UHFFFAOYSA-N 285.478 4.563 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CCCCS1 2259196126 DWYXPZSBXRZBKZ-CVEARBPZSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCCN[C@@H](C)[C@@H]1CCCC(C)(C)C1 2259235104 KOXMFQQZTIVBPM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=C[C@H](C)CCNCC1CC(C)(C)CC(C)(C)C1 2260225742 FSZRNVQEOGPUGW-AWEZNQCLSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](CCCC(C)C)OCCN 2262580789 UQMHLKSLHIDIDF-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CC#CCCCC[C@@H](C[C@H]1CCCCC12CC2)NC 2264883933 ILNNJKUQKGIWOF-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)C[C@@H]1CC12CCC2 2265195528 OARYGTHLZOVLHR-HNAYVOBHSA-N 285.497 4.974 30 10 CJEE CCNc1cccc(C#Cc2sc(C)c(C)c2C)c1 2265267393 TVKFMGAQVZPRMS-UHFFFAOYSA-N 269.413 4.505 30 10 CJEE N#Cc1cccc(F)c1SC[C@H]1CCCCC1(F)F 2267994652 OHFPIYKODHLXTO-LLVKDONJSA-N 285.334 4.615 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)O)c(C)c1 2268098476 JLXJYEWZINYRKE-OAHLLOKOSA-N 264.409 4.788 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCC[C@H]2C)cc1 2268250864 XHRPTYCKGNNHFB-CRAIPNDOSA-N 258.405 4.577 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C#N)CCCCC12CC2 2268739041 MRLPCKGQHQROHT-GOSISDBHSA-N 255.405 4.846 30 10 CJEE CCC[C@@H]1CC[C@@H](O)[C@@H](CC=CC#CC(C)(C)C)C1 2268741299 GLXLHHDDWARSCT-IXDOHACOSA-N 262.437 4.560 30 10 CJEE C=CCCCSC[C@H](NCCC)c1sc(C)nc1C 2271494096 XQXKTADITUAXNR-AWEZNQCLSA-N 298.521 4.500 30 10 CJEE C=CCCSC[C@@H](NCCC)c1ccc(C)cc1C 2271590103 JYOONPNWIDHMRN-QGZVFWFLSA-N 277.477 4.653 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1cc2ccccc2o1 2271756355 QVRWKPHTESKJGY-QGZVFWFLSA-N 257.377 4.743 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCC[C@]2(C1)CC2(F)F 2271799249 SMZDJMHLVLKCFU-CABCVRRESA-N 271.395 4.538 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC2CCC1CC2 2271833796 VAPPICLJEVBPAU-HIEASXQVSA-N 263.469 4.927 30 10 CJEE CCC[C@@H](CC)[C@@H](CC=CC#CC(C)(C)C)NCC 2272042804 ZTRZGPWPEDFOSX-IAGOWNOFSA-N 263.469 4.787 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@@]1(C=O)CCCOCC1 2272253205 PNSZOHJNZMENFT-SJORKVTESA-N 268.441 4.615 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1Cl 2274050483 HRHINDBOCCLSQT-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE CC(C)CC1([C@H](O)C#CC2CCCCC2)CCCC1 2274052295 DKGAKNMHZMOVLC-QGZVFWFLSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H]1CC[C@@H](OC)C1 2278174593 XEVFLSSBHUDINM-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@H](C)NCCCOCCC 2278238454 JYLQWEKAANIUQO-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CCO)C(C)C 2278246072 XSVHMFFOJGUPLL-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)CC(C)C 2278246318 POGTUFRBGLVDMZ-DLBZAZTESA-N 271.489 4.512 30 10 CJEE CC1(C)CC=C(C(=O)c2nc(C(C)(F)F)cs2)CC1 2278634318 HRYFBYBAVMCDAQ-UHFFFAOYSA-N 285.359 4.574 30 10 CJEE CCNC[C@@H]1CC[C@@H](C)C[C@H]1CC=CC#CC(C)(C)C 2284072149 BHUQNVNUSYOAHI-KURKYZTESA-N 275.480 4.644 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1(C(C)C)CCC1 2284100649 IDSJFGMSKLGQPA-QGZVFWFLSA-N 275.480 4.787 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(C)c(C)c1 2284106722 VRIPADSKJFWGOB-SFHVURJKSA-N 269.432 4.560 30 10 CJEE CCCc1ccccc1[C@@H](N)CC=CC#CC(C)(C)C 2284171763 WRXFRDAHEZVVQM-SFHVURJKSA-N 269.432 4.635 30 10 CJEE CCC(CC)(CS)COC1(C)C2CC3CC(C2)CC1C3 2287239672 PPLZHNUVWWVAFJ-UHFFFAOYSA-N 296.520 4.954 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](C)(O)CC(C)(C)C 2287392170 KWHYCOFXOQPRKX-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE CC(C)CCC[C@H](C)CCNC[C@@H](C#N)C1CCCC1 2287858294 CGWMPXYQCJILOK-FUHWJXTLSA-N 278.484 4.758 30 10 CJEE C=C[C@](C)(CC[C@H](C)CCCC(C)C)CNCCOC 2287982524 MVZSRJOVSZITFL-QZTJIDSGSA-N 283.500 4.657 30 10 CJEE CCN[C@H](C#CC1CCCC1)C1CCC(C(C)C)CC1 2289702180 BUWCCSOWKYJSKI-CTWPCTMYSA-N 275.480 4.621 30 10 CJEE CC(C)(C)c1ccccc1[C@@H](N)CC#CC1CCCC1 2289881720 MUAMDBDAWWGLKW-SFHVURJKSA-N 269.432 4.568 30 10 CJEE C=CCCCCCCCCN(CCO)CCC(C)(C)C 2289976359 HMASOZHOUTVDNQ-UHFFFAOYSA-N 283.500 4.634 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)C1(C)CCCCCC1 2291441321 IUZHSDKGWYPXNE-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)[C@H](CC)C(C)C 2292721283 ULMIWCZHIRBOTA-HZPDHXFCSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CC[C@@H](CC)C1 2292784884 PEQMOHKOKWVPCE-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCC1(OCCCN)C[C@H]2C[C@@H]2C1 2293460872 RTUINAFVGINBKW-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCN)C1CCCC1 2293903207 FRMWVFXNOMTKDU-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@@H]([C@H](C)N)C1 2295537363 YRDPLCZTWDRXOZ-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C1CC2(CC2)C1 2295601273 MZVMTKQVKKIIIA-KRWDZBQOSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@@H](C)NC1C[C@H]2C=C[C@@H](C1)O2 2295674583 SMOHMWZYTSBVKP-CSNJMZFVSA-N 279.468 4.591 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cncn1CC 2295677792 DSHQSVWYOSYZRL-MRXNPFEDSA-N 279.472 4.522 30 10 CJEE C=C[C@H](C)CC(=O)c1ccc2oc3ccccc3c2c1 2295764595 UXCSORRLWJSYFE-LBPRGKRZSA-N 264.324 4.981 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc2scnc2c1 2296128019 DFUUVYGAVLGMNC-DYVFJYSZSA-N 288.460 4.939 30 10 CJEE O=C1C(=Cc2ccccc2Cl)CC[C@H]1C1CCCC1 2297334130 FMJQRRQLNYXDNK-HNNXBMFYSA-N 274.791 4.893 30 10 CJEE C=CCC(CC=C)SCc1c(N)cccc1Cl 2298822515 WKGSMTHXXVDBGP-UHFFFAOYSA-N 267.825 4.676 30 10 CJEE N#CC[C@@H]1CC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2301310864 GYTMGDRRQXSPEI-OIBJUYFYSA-N 290.577 4.781 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(CCC)s1 2304120673 VCZICJWCZSVGCT-CABCVRRESA-N 252.423 4.726 30 10 CJEE Cc1cc(Cl)c(C2=CC(=O)CCCC2)c(Cl)c1 2307523206 QYFLYFJJTOTUBL-UHFFFAOYSA-N 269.171 4.828 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309157120 WFXGSJIOFJEXMW-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NC 2312410339 UQSUFQKQELGBIU-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CC[C@H]1C(C)(C)C 2320148097 CGDZEAYDPZESBI-UONOGXRCSA-N 272.498 4.812 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1OCC1(CS)CC(C)(C)C1 2321722746 KVLZKGFZZMJCPB-HZSPNIEDSA-N 270.482 4.564 30 10 CJEE C[C@@H]1CCC[C@H](OCC2(CS)CC(C)(C)C2)[C@@H]1C 2321722747 KVLZKGFZZMJCPB-MCIONIFRSA-N 270.482 4.564 30 10 CJEE c1ccc(CON=C(c2ccc3c(c2)CCC3)C2CC2)cc1 2330362119 ZCDTWGOCQJRSAM-UHFFFAOYSA-N 291.394 4.506 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334490107 ULUWIXQDIJOLMB-HLPPOEQASA-N 273.411 4.638 30 10 CJEE C=CCC(CC=C)Sc1cccc(OC)c1C(C)=O 2335186246 YMNGPCARPHICNX-UHFFFAOYSA-N 276.401 4.511 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCCCC[C@H]1NC 2335189983 DRVLVKUDFBNRJG-IAGOWNOFSA-N 281.509 4.941 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccccc1C 2335208121 YMSMHEZFAJISBU-DOTOQJQBSA-N 277.477 4.734 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CC[C@H]2NC 2335242945 UZAYFYSXVJEUSO-QGZVFWFLSA-N 273.445 4.506 30 10 CJEE C#C[C@H](CC)NC(C1CCCCC1)C1CCCCC1 2338279439 PIBVKJVTTYARKG-QGZVFWFLSA-N 261.453 4.517 30 10 CJEE C=CCC(CC=C)c1ccc(OCC)c(OCC)c1 2338744258 MKVWCVHKYQGQTK-UHFFFAOYSA-N 260.377 4.720 30 10 CJEE C=CCCCCCN(C)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339371520 LZPJYWPEPURVDC-KZNAEPCWSA-N 261.453 4.657 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC12CCC(CC1)C2)NCC 2344344284 RTCDZXSHXQGATL-SAGYGOJTSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)C(=O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2344421248 QLWNFTQOMIECGZ-YIYPIFLZSA-N 270.363 4.619 30 10 CJEE CSc1cc(Nc2cc(C)cc(C)c2)ccc1C#N 2353846398 UNTOUUGVRMSYDZ-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE C=C1CC(C[C@@H](NCC)[C@@H]2C[C@H]2C2CCCCCC2)C1 2357716756 HTDGIHKPJUYKPL-IPMKNSEASA-N 275.480 4.927 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@H]1CCC 2357810852 YPHIIWXNHDFDDB-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCCCC1(C)C 2360347075 PYLGEGOPWZMYTH-SFHVURJKSA-N 282.516 4.719 30 10 CJEE C=CCC(CC=C)Sc1cccc(OC)c1[C@@H](C)NC 2360368771 QEYXFZUGBANLLM-CYBMUJFWSA-N 291.460 4.589 30 10 CJEE N#Cc1ccnc(Nc2cc(Cl)c(Cl)cc2Cl)c1 20551541 HPRKPUNECQQONQ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1ccc(C#N)cc1F 36886785 BHNKZNNUKNSCGH-SUYBPPKGSA-N 275.367 4.537 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](n2nc(C)c(C)c2C)C1 40730060 STZPYHAZGTUWRL-IXDOHACOSA-N 287.451 4.726 30 10 CJEE Cc1ccc(C)c(OCCC[C@](C)(C#N)c2ccccc2)c1 57687497 QASZNXCHWQKEQL-HXUWFJFHSA-N 293.410 4.944 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2cccc(C#N)c2)cc1 57756965 GISWMQNXSNYJEI-LJQANCHMSA-N 274.367 4.532 30 10 CJEE Cc1ccc(F)cc1-c1nc(-c2cccc(C#N)c2)cs1 62938263 UUTUHIPFAMAUDE-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE C=CCc1cc(C=O)cc(C(C)C)c1OCCCC 66117788 RHMGOIZKTFYWAJ-UHFFFAOYSA-N 260.377 4.530 30 10 CJEE CCCCN(CCCC)c1cc(C#N)c2ccccc2n1 68772157 IVMIMUZWPIWXSK-UHFFFAOYSA-N 281.403 4.513 30 10 CJEE Cc1cccc2c(C#N)c(Cl)n(Cc3cccc(F)c3)c12 71465302 KIHGPTWADJTETM-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE Cc1ccc(CNc2nccc(-c3ccccc3)c2C#N)cc1 76579070 TXYIMRFAPKJLOZ-UHFFFAOYSA-N 299.377 4.541 30 10 CJEE N#Cc1cccc(N(Cc2ccccc2)c2ccccc2)c1 84858468 HYCIJSYTEXHIRT-UHFFFAOYSA-N 284.362 4.897 30 10 CJEE C[C@H]1CC[C@@H](Nc2cccc(OCCCC#N)c2)C[C@@H]1C 84987184 NCYYPLBMWOGGDI-YQQAZPJKSA-N 286.419 4.606 30 10 CJEE SCC1(CSc2ccc(Cl)cc2)CCC1 87096000 KNXRRLKHDLKRRJ-UHFFFAOYSA-N 258.839 4.532 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(C)cc(C)c2)C1 87973051 GGNZQOSAPCCIBL-FUHWJXTLSA-N 255.405 4.956 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCCC[C@H]1C#N 91479335 DPTUXSVHZJYLRM-WCQYABFASA-N 282.309 4.508 30 10 CJEE CC1CCC([C@@H](O)C2(C#N)CCC(C(C)C)CC2)CC1 91903900 GCKRSXPSHIMANP-AWDGRILASA-N 277.452 4.530 30 10 CJEE CCCCCCCCC(=O)Cc1ccccc1OC 103939377 MYTXZYAXCLQGKA-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C#N 104184792 PZXSTHZETBVAST-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCNc1ccc(OC)c([N+](=O)[O-])c1 104425595 XTRKSUCJTLEAAD-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE C#CC[C@@H](CCC)c1ccc(C)c(Br)c1 107497117 FLWITZQLPNGWRL-LBPRGKRZSA-N 265.194 4.665 30 10 CJEE CCCCCCCCCCCCn1ccnc1C=O 109692223 KZGFACHXFNXGBU-UHFFFAOYSA-N 264.413 4.617 30 10 CJEE CCCCCCCCCCOc1ccc(C#CCN)cc1 109751301 FIZZKGHWSCAXSN-UHFFFAOYSA-N 287.447 4.516 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(CC2CC2)C(C)C)C1 110264804 RDUQAZBZIQPSHP-OKZBNKHCSA-N 290.495 4.851 30 10 CJEE CCCCCCCCc1noc(N)c1-c1ccccc1F 115858533 NDMQLSLMADQYEV-UHFFFAOYSA-N 290.382 4.966 30 10 CJEE CCCCCCCCC[C@H](O)[C@@](C)(CC)N(CC)CC 118155516 LZQIAFQDYAMNJO-ZWKOTPCHSA-N 285.516 4.999 30 10 CJEE CCCCCCCCCCNC1CCSCC1 124780941 OSDUKRJXLZJLOJ-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE CCCCCCCCC[C@H](NC)c1snnc1CCC 139395725 GLNYTSWZKOQJPY-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCn1nc(C)c(Cl)c1CC1(C#N)CCCCCCC1 156744080 DQQGGJIDDYFQRA-UHFFFAOYSA-N 293.842 4.662 30 10 CJEE N#CC1([C@@H](O)c2cccc(Cl)c2)CCCCCCC1 158974167 ZKIVKQQMWXLDGX-HNNXBMFYSA-N 277.795 4.628 30 10 CJEE C=CC[C@H](C)N[C@@H](Cc1cccs1)c1cccs1 163310306 JOTYCSZTKGMYHT-JSGCOSHPSA-N 277.458 4.648 30 10 CJEE CC(C)C[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 168281123 AITJXFCWBVKZTK-GOSISDBHSA-N 282.362 4.897 30 10 CJEE CC#CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC(C)C 169068897 AYEGXSDTBKPFJO-QRVBRYPASA-N 277.496 4.868 30 10 CJEE Cc1ccc(Sc2ccc(C#N)cc2C)c(C)c1 203509689 GAWNIXNPZDVVOF-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCCC1(C)C 226945182 CPXBTYIAYXOYNK-CVEARBPZSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1SCCS[C@@H]1C 228127780 FMHRFLUEKGMDTG-ILXRZTDVSA-N 289.554 4.562 30 10 CJEE CCCCCCC[C@H]1C[C@@H](NC)c2cc(F)ccc2O1 229146811 KCNLVYAZPOSNNS-GOEBONIOSA-N 279.399 4.598 30 10 CJEE CCCCCCCC[C@H]1CC[C@H](C(F)(F)F)CN1 232928601 SGGVLMXNVMZNCT-STQMWFEESA-N 265.363 4.668 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CN)CCC[C@@H](C)C1 232937626 UJIOMIQKOREJKN-FGTMMUONSA-N 283.500 4.643 30 10 CJEE CCCCCCCCNc1nccc(C)c1Br 232949281 KOYJWDMMTANMPS-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE CCCCCCCC[C@H](NC)c1ncccc1Cl 232957878 DELMZAVEZLAXGC-AWEZNQCLSA-N 268.832 4.746 30 10 CJEE CCCCCCCCCC[C@H](F)[C@@H]1CCCCN1 232961101 FWFQMKBKLLJSBA-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE CCN(CC)C(CC)(CC)C(=O)C1=CCCCCCC1 233432225 GLGSDJQCCPFWDG-UHFFFAOYSA-N 279.468 4.737 30 10 CJEE C#CCCC[C@H](NCC)c1cc(Cl)sc1Cl 233568830 BSOYMVNCHLSRSG-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253047596 QYHYWBSWADGHLO-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccoc2C)C1 300439269 BBSNLYGVGAJORQ-UMVBOHGHSA-N 263.406 4.789 30 10 CJEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCC1 307886359 ARRJNYYTCCOVKD-HNNXBMFYSA-N 298.213 4.675 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1c(F)cccc1Cl 311708951 NFCNBTIMUMLNMT-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1ccc(Cl)c(Cl)c1 316893502 WQSPVAMNTHXQFZ-IINYFYTJSA-N 271.187 4.541 30 10 CJEE C=CCCCCCCNCc1csc(Cl)c1 379001914 XIDAHODLVZRRHC-UHFFFAOYSA-N 257.830 4.628 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@@H]1CC2CCC1CC2 381789152 AUEIJOPTYOJRFI-DNDXXGFKSA-N 288.822 4.860 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCCC2(F)F)C1 382025926 BJZUVUVNERXTTI-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@H](O)C1CCC(C(C)(C)C)CC1 384761400 ANSUMAYDQCQJAA-VYHHCALRSA-N 277.452 4.530 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@@H](c2ccccc2)CS1 386256481 JMVQYXVJRDTKSV-UKRRQHHQSA-N 290.476 4.635 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2CCCCO2)CC1 388608356 BOAHQXPNMHLSLU-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE N#C[C@@]1(Cc2sccc2Cl)CCCc2ccccc21 394197003 LHQIGWIJLRSWIS-INIZCTEOSA-N 287.815 4.742 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@@H](C)NC1 398962726 OFNHWARUJWSPFC-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 464537422 XLSKWLDZOOCECB-BLLLJJGKSA-N 291.822 4.510 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC2(CCCCCC2)C1 466429585 AJJCZHYWBNDVND-INIZCTEOSA-N 277.452 4.552 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCC[C@H](OC)C1 686350443 VUDZNSASLUICGL-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(C)c(C(F)(F)F)c1 686689722 MBNXKZCSCZOAFZ-OAHLLOKOSA-N 283.337 4.597 30 10 CJEE CCCCCC[C@H](C)/N=C1/NC2(CCCC2)CCS1 687319387 MOQVVDNVBLYZLV-AWEZNQCLSA-N 282.497 4.741 30 10 CJEE CCCCCCCCCCN(C)C1(C(N)=S)CCCC1 690366671 HHIVXUGRSJVKRT-UHFFFAOYSA-N 298.540 4.658 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H]2C[C@@H]21 691771269 AEKUCPGVUQGPQU-BDXSIMOUSA-N 280.500 4.785 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(OCC)c3)C[C@@H](C1)C2 697306756 KYVZVQKCBGMJDV-FKEKPDDDSA-N 271.404 4.632 30 10 CJEE CC1(C)CCC[C@@H](Nc2c(F)cc(C#N)cc2F)CC1 697557597 NPFVENHGNVFHHV-GFCCVEGCSA-N 278.346 4.607 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC[C@@H](C)O1 701511001 GGKZPVXBIHWAEB-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cc(C)sc1C 706536407 TUDFICVIGXJDKA-GFCCVEGCSA-N 251.439 4.618 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccc(Cl)cc1 709512842 MPDUNVHVPCZYRL-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(C)c2ccccc2n1 710475710 MVMHYYJBLLTHLU-INIZCTEOSA-N 288.822 4.727 30 10 CJEE CCCCCCCCCC[C@H](NN)C12CCC(CC1)C2 710938869 SRFONOQCJPVYMJ-ADKAHSJRSA-N 280.500 4.929 30 10 CJEE C=CCC1(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 712983609 MIHKPDKXHRFQMR-ZIAGYGMSSA-N 289.385 4.834 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc2ccsc12 715720144 LOCCDMJCYMYBFQ-SWLSCSKDSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc2ccc(F)cc2s1 715770629 QMJIFDMZTZYDNP-BONVTDFDSA-N 263.381 4.513 30 10 CJEE CCCCCCCCCNC[C@@H]1CCC2(CCC2)CO1 716532239 INFRQBZQILTCEN-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE C[C@H]1C[C@@H](CC2(C=O)CCCCCCC2)C[C@@H](C)O1 724374117 HOBWHCMTFVJUAK-ZSHCYNCHSA-N 266.425 4.510 30 10 CJEE C=C1CCC(C[C@@H](O)CSc2cccc(C)c2)CC1 724553066 PXHKFSRVXDRJGW-MRXNPFEDSA-N 276.445 4.585 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(F)c(Cl)cc2F)CC1 724558829 FAWMUPJKSMCFDC-HNNXBMFYSA-N 286.749 4.788 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(F)c(C)c2)CC1 724581719 FMDKEXZGNDGKHJ-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE C#CCCCCCC(=O)Nc1cccc(C(F)F)c1Cl 754482865 MHZSKVHKAALSSM-UHFFFAOYSA-N 299.748 4.800 30 10 CJEE C=C[C@@H](CC(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1124433617 ZWCICLHCTPSLDL-INIZCTEOSA-N 280.367 4.569 30 10 CJEE C=CC[C@@H](C)NC(=O)c1cc(CC)c(-c2ccccc2)s1 1136802278 QVDXEWPUJFWOBG-CYBMUJFWSA-N 299.439 4.672 30 10 CJEE C=C(CC(C)C)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1149702749 VHXDKUCFYZNDTE-ICSRJNTNSA-N 297.442 4.517 30 10 CJEE CCCCCCCCN(C)C(=O)Nc1ccccc1 1201951190 NTIDYKTXEUKKAN-UHFFFAOYSA-N 262.397 4.511 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCCc2cccnc21 1207711333 AUPVBPIGCHVHMJ-RDJZCZTQSA-N 272.436 4.574 30 10 CJEE C#C[C@H]1CC[C@H](NC(=O)Nc2cccc([C@H](C)CC)c2)CC1 1219534401 ZXNPCYFGGGJAMS-BFYDXBDKSA-N 298.430 4.514 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CCC(C)C)C2CC2)c1 1220335375 TURLUEHYDDOVRE-UHFFFAOYSA-N 286.419 4.762 30 10 CJEE C=CCCCCCCNC(=O)NCC1(CC)CCCCC1 1233702091 IOKCPEWAKTZIQY-UHFFFAOYSA-N 294.483 4.783 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc(CCC)cc1)c1ccccc1 1264031406 PUMOEOVIKGSBAK-KRWDZBQOSA-N 293.410 4.938 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(OCc2ccccc2)cc1 1264223314 ZTJUHDDTLLRGCU-UHFFFAOYSA-N 296.366 4.527 30 10 CJEE C=CCC1(CNC[C@@H](C)CCc2ccccc2)CCCC1 1308403300 OGFXFPVVRHRXQK-SFHVURJKSA-N 285.475 4.981 30 10 CJEE C=CCC[C@H](CCC)NCc1cc2cc(C)ccc2o1 1308865478 WJKURDYSGZLWIN-INIZCTEOSA-N 271.404 4.966 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 1352262300 IIHBYUSIZDQQHT-UHFFFAOYSA-N 299.458 4.903 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 1435153117 KKPLRJSQZXPJMO-CEXWTWQISA-N 297.442 4.528 30 10 CJEE C=CCC1(C(=O)Nc2ccc3ccn(C)c3c2)CCCCC1 1435921435 MFTZJXDDWDHUJG-UHFFFAOYSA-N 296.414 4.643 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](CC)[C@H]1CC1(C)C)c1ccccc1 1436879188 GHAPACPCIMCUTO-KSZLIROESA-N 299.458 4.677 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OCCC)cc2)C1 1461359292 SXBJXXHOXIWQQI-ZBFHGGJFSA-N 259.393 4.632 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)C1 1474395535 ZTWSXEVJLRPNMT-UPJWGTAASA-N 277.374 4.688 30 10 CJEE C=C(C)[C@H](NC1CC(C(C)C)C1)c1ccc(F)c(F)c1 1474450791 XMDLLVLRKULPOB-KVULBXGLSA-N 279.374 4.606 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCCc2c(F)cc(F)cc21 1474550289 NXIKBFSZPQMJGS-GUYCJALGSA-N 279.374 4.677 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC2(CCCCCC2)C1 1514937374 KSGBWOHEVISYOX-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](CC)c1cccc(OCC)c1 1515715242 HQRSCSICIMMJJC-INIZCTEOSA-N 290.403 4.682 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1 1527769596 RHIDIJTZRKHXJH-LISAXSMJSA-N 286.415 4.714 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C/C=C\c1ccc(C(C)C)cc1 1543458863 XOXSSLIOGILOBR-FQQSSWHASA-N 297.442 4.780 30 10 CJEE C=CCN(Cc1ccc(OCc2ccccc2)cc1)C(C)C 1559503414 BGHARYGUMNVEPI-UHFFFAOYSA-N 295.426 4.662 30 10 CJEE C#C[C@H](NC1CCC(=C2CCC2)CC1)c1ccc(F)cc1 1560852302 FGICHRFSKVLZSM-IBGZPJMESA-N 283.390 4.513 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 1584960109 JUTMUVGCNOLUQN-INIZCTEOSA-N 299.801 4.947 30 10 CJEE C#CCCCCCCN(CC)[C@H](C)c1ccc(C#N)cc1 1615230137 TZMNMDFYPQVESM-QGZVFWFLSA-N 282.431 4.525 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1616654448 SQRYBFYNIGXNFH-YXAMBPQSSA-N 263.812 4.591 30 10 CJEE CCCCCCCCCCC(=O)Nc1cccc(O)c1 1618289578 XXCUBUSFWIXWFN-UHFFFAOYSA-N 277.408 4.862 30 10 CJEE C=CCOc1ccccc1CNC1CCC(C2CCC2)CC1 1620799080 KIFXTLFDZGBVSQ-UHFFFAOYSA-N 299.458 4.700 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCc2cc(C#N)ccc21 1621396380 GPFUDGPAYQZALA-IEBWSBKVSA-N 282.431 4.660 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(CCCC)cc1 1627244866 XXPPEZOIXZRUKL-SFHVURJKSA-N 285.431 4.600 30 10 CJEE C#CCCCCCCN1CCC[C@H]1c1cccc(C)c1 1641568924 KVWUWWOVFNKHJN-IBGZPJMESA-N 269.432 4.716 30 10 CJEE C=C(C)CCN1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C 1644616392 KGXZTNQAPUAXOU-ZDUSSCGKSA-N 297.364 4.638 30 10 CJEE C=CC[C@@H]1N(CCCCC(F)(F)F)CCCC1(C)C 1645454042 YEAMLTJHLXMYOG-ZDUSSCGKSA-N 277.374 4.786 30 10 CJEE CC#CCN(C)[C@H](c1ccc(Cl)cc1)C(CC)CC 1645473005 SNSBGJHURQEEGY-KRWDZBQOSA-N 277.839 4.772 30 10 CJEE C#CCCCCCCN1CCCCC[C@@H]1c1ccncc1 1652079984 FSKNPZKEONUMHS-LJQANCHMSA-N 284.447 4.582 30 10 CJEE C=CC[C@@H]1N(Cc2ccc3ncccc3c2)CCCC1(C)C 1653460139 UEBVCTJKLWWBQI-IBGZPJMESA-N 294.442 4.802 30 10 CJEE C#Cc1ccc(CNCCCc2ccc(C(C)C)cc2)cc1 1655606233 JSJYVOHEHMBOLQ-UHFFFAOYSA-N 291.438 4.514 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(OC(F)F)nc1 1658984831 UEBVIGANHLGNBD-GFCCVEGCSA-N 284.350 4.620 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC(F)F)c2cccnc12 1659488794 ACEBRUSZDBXITO-LLVKDONJSA-N 292.329 4.603 30 10 CJEE C=CCC[C@@H](CC)Nc1ccccc1N(C)CCC 1665387575 WYCJXEVYYYBNMA-OAHLLOKOSA-N 260.425 4.690 30 10 CJEE N#Cc1ncccc1-c1c(Cl)cc(Cl)cc1Cl 1848373178 JKKSYQKUAIZXKA-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC(C)(C)C1(COc2ccc(C#N)cc2Cl)CCC1 1876749428 AKYFIKQXKMEMIY-UHFFFAOYSA-N 277.795 4.807 30 10 CJEE Cc1cc(Oc2cccc(F)c2C#N)c(C)cc1Cl 1878912806 WFCDCVGNTYDKHT-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE C=CCCN(Cc1ccccc1)C1CCC(C)CC1 1881298563 XKIASUNXNCFTDG-UHFFFAOYSA-N 257.421 4.643 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H](C)C1CCC1 1881302514 ZEEZSIMNEJLCKP-INIZCTEOSA-N 257.421 4.501 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)CCC1(C)C 1882892801 QVKSUKGPPPATSZ-CRAIPNDOSA-N 271.404 4.559 30 10 CJEE C=C1CCC(CN2CCC[C@@H]2c2ccccc2)CC1 1884397443 BZCDEJKLQYXXDC-GOSISDBHSA-N 255.405 4.570 30 10 CJEE O=C(C=C1CCC1)c1cccc(OCc2ccccc2)c1 1899094245 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36921048 WPUWTGGZYHIVRL-WBAXXEDZSA-N 284.447 4.814 30 10 CJEE CCc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N 36926920 SVIJOXDVIIQBQT-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154913 HEGVJNSKDZGJNX-TYNCELHUSA-N 263.381 4.636 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37155985 HSYHAQAYACBFPY-RKTXRCNFSA-N 273.445 4.994 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156733 UTCSODOZCOBBIA-ZIBATOQPSA-N 281.371 4.775 30 10 CJEE Cc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1 37306470 RKGPWAIQCDEIFV-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE in-vivo Cc1ccc(C#N)c(N[C@@H](C)c2cc(C)sc2C)c1 51579962 HXHSSRABZUUVGT-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE C[C@@H]1CCC[C@H](S[C@@H]2C[C@H](C)CC[C@@H]2C#N)C1 54691025 VUPCRGYBHGWFML-ARILJUKYSA-N 251.439 4.627 30 10 CJEE Cc1ccc([C@@H](C#N)Cc2cccc3ccccc23)cc1 57739009 WXOYLMIXPKKKMU-LJQANCHMSA-N 271.363 4.998 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2c(c1)OCCO2 59089841 GQZXQASUPILRMC-CQSZACIVSA-N 277.408 4.619 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 62610363 JVWSZHBAXVDAQW-RISCZKNCSA-N 295.785 4.872 30 10 CJEE N#Cc1cc(Oc2ccc(F)c(Cl)c2)nc2ccccc12 68796727 BBBYWZVLZGENHJ-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE COc1ccc(Cl)c(C(=O)/C=C/c2ccc(C)cc2)c1 83205332 REKRUUAYOVGQDB-JXMROGBWSA-N 286.758 4.553 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(F)c(C#N)c2)CC1 86946185 CPDOJZAMXPNWTF-ZFWWWQNUSA-N 274.383 4.858 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2)C1 87972790 MFUCFPFNFHIUDT-BBRMVZONSA-N 261.796 4.993 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87996743 CBBJFBCBNRSTMG-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE C/C(=C\C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 91692215 OOJIOTZHZIORGL-ZRDIBKRKSA-N 290.284 4.992 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC[C@@H](CC)CC2)CC1 91903330 MNWLBCFIYXVTDZ-AQEOSJORSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCC1(CNC)CCOCC1 110214551 MKAOQGJVDQRRRX-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCN[C@@H]1COc2ccccc21 112387368 JUFRKJAQXVLZGE-QGZVFWFLSA-N 275.436 4.850 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc(OCC)c1 112888702 NKWRACFTKUINOS-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NC[C@@H]1C 114058380 PAPGOLWUFJCYNR-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](NC)C1CCOCC1 114996847 CNKSWZKPCVQWMI-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCO2 115062183 VDVITIJQXQTFKY-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CCCCCCCCCC[C@@H](NC)C1(N(C)C)CCCC1 118174011 PRKMKNCHCPGFGG-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](CC1CCCC1)NN 122673295 CUKYAPUQUGEIGV-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCSc1cccc(N[C@@H](CC)C(C)C)c1C#N 128324505 BEFLJWCHSBRMCO-ZDUSSCGKSA-N 262.422 4.517 30 10 CJEE C=CC[C@@H](NCCC)c1cccc(Cl)c1Cl 128661956 ZPACXEDGUKPGJL-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCN[C@@H](C)CSCC 135387514 DBABSKUSUZDHMR-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cc(C)nn1C 139419530 STSFUXKDVJTOET-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc(F)c1F 158076501 GKJQNPRNSSCQHS-OAHLLOKOSA-N 269.379 4.976 30 10 CJEE CCCCCCCCNc1ccc(N)cc1Cl 160763649 WQQJZIZPLVGSOM-UHFFFAOYSA-N 254.805 4.695 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCCC1)c1cccc(Cl)c1 162025299 ZWLTYTSFRAOBNO-MRXNPFEDSA-N 289.806 4.877 30 10 CJEE CCCCCCCCCC(=O)c1nccn1CCC 165626413 FHYPTJBNKBPIPI-UHFFFAOYSA-N 264.413 4.617 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(N)c(C)c1 165710191 JVWPFVOIOWDQGC-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE N#C[C@@H](Sc1cccc(Br)c1)C1CCCC1 167880273 ZSMYJSYCKULSMI-CYBMUJFWSA-N 296.233 4.624 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCCC1(C)C 226908641 XUVPUFILTUOYMC-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H](Cc1nccn1CC)NCC 229811433 GNRCNYTVLHUZIT-KRWDZBQOSA-N 293.499 4.564 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cc(F)ccc1Cl 231820407 SZRNGQQVOVDHAP-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCC(=CC(=O)c1cc(Cl)ccc1Cl)CC 232878300 CTBWGFANXHTXOZ-UHFFFAOYSA-N 257.160 4.923 30 10 CJEE CCCCCCCCn1c(N)nc2cc(F)c(Cl)cc21 232939824 GSYGRCSZPUZWMJ-UHFFFAOYSA-N 297.805 4.772 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(OCCC)c1 233245256 QWBBKSXITYXQJV-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@H](NCC)c1c(F)cccc1OC 233542882 DWRFGDGAYSRFDH-HNNXBMFYSA-N 279.399 4.621 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCCc2ccccc21 234452045 ZAHUVEFLIRRBSQ-RTBURBONSA-N 271.448 4.831 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc2ccccc2o1 234464595 LHDABMCNCAGJBP-OAHLLOKOSA-N 257.377 4.830 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(OC(F)(F)F)cc1 236315990 ZDDKKBIMHDIFJU-CQSZACIVSA-N 287.325 4.722 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@H](C)c1cccc(Cl)c1 251332505 OOCDUJOBPYOFLQ-OCCSQVGLSA-N 285.884 4.535 30 10 CJEE Clc1cc(Cl)c(N=Cc2ccncc2)cc1Cl 254289898 MJJPUZOASRWCQY-UHFFFAOYSA-N 285.561 4.792 30 10 CJEE COc1ccc(C(C)(C)CC#N)cc1C1CCCC1 260854561 NUNVUSPIWRASLY-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N 300256129 DVOOYYDMLAWDCN-ARFHVFGLSA-N 251.458 4.913 30 10 CJEE Cc1cccc(Nc2ccc(C#N)cc2Cl)c1Cl 305990416 JDLZVDYLPDDXQY-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE SCC1(CN2CCC3(CCCCC3)C2)CCCCC1 311368804 HRWDZIRVJLDLMU-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@@H](C(F)(F)F)C1 312279782 NWEPIVVYQUEDFC-ZIAGYGMSSA-N 296.373 4.600 30 10 CJEE CCSCCCC1(C=O)CCC(C(C)(C)C)CC1 317416672 FDLDAVHVKDRTHS-UHFFFAOYSA-N 270.482 4.941 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 317687547 IUPQEROVCAZQOW-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE CCCCCCCCCCCC[C@@H](CN1CCC1)NC 328497674 RHZNJWHCLKVFPA-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC(C)CNC[C@@H]1CCCCC[C@@H]1CC#CC(C)(C)C 379883758 UWRRNAMGOYIOND-MSOLQXFVSA-N 277.496 4.868 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1oc2ccccc2c1C 384840968 IPSZKGKGSDUFMW-CYBMUJFWSA-N 257.377 4.604 30 10 CJEE CCCCCCCCCCC(=O)C(C)(C)COC 395478771 QOKXQZNSRFFQOH-UHFFFAOYSA-N 256.430 4.759 30 10 CJEE N#C[C@@H](CNc1ccsc1Cl)C1CCCCC1 397211238 WZMYJLNXUKDEHD-NSHDSACASA-N 268.813 4.533 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@](C)(O)c2c(Cl)cccc2Cl)C1 400929826 WEKSLKQWNKTZLP-VCTAVGKDSA-N 298.213 4.531 30 10 CJEE C[C@@](C#N)(Cc1cccc(F)c1Cl)c1ccccc1 405679669 KMFOULUOEQGXLC-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1[C@@H](C)C[C@H]1C 548087708 JQEACJFCVCIGCJ-OKILXGFUSA-N 286.419 4.553 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1C[C@H]1CC(C)C 686687717 VODQUZGDHQRMCJ-KURKYZTESA-N 263.469 4.621 30 10 CJEE C=CCC1(NCc2cccc(C(F)(F)F)c2)CCCC1 690723741 PANDXPAFRDQUIS-UHFFFAOYSA-N 283.337 4.684 30 10 CJEE C[C@H](Nc1cc(Cl)cc(F)c1F)c1cccc(C#N)c1 690984912 KSRXBOIWFQELJX-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCC1CCC(C#N)(C[C@H](C)c2ccccn2)CC1 692881792 AGAQISLHLRRERO-UQPPLGOBSA-N 256.393 4.685 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@H](C)c1ccc(Cl)cc1 695844695 XNJBTJCYDWQJHW-QWHCGFSZSA-N 278.827 4.661 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](N)CC(C)(C)C 696905705 IJBOMVOQVKKCFJ-HOTGVXAUSA-N 271.489 4.642 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC(C)(C)C1 701476304 SFRBMHIODPDNTN-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)C(C)(C)C 702248829 ZWJOOIXWTJKEOF-MAUKXSAKSA-N 271.448 4.584 30 10 CJEE SCCCCCCCCCN1CCC2(CC1)CC2 707151478 KABIVOXWXROUAA-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CC(C)(C)CO2)CC1 708462331 ZSDBDPDICBINHE-ISXOHVOVSA-N 263.425 4.548 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)[C@@]12CCCC[C@H]1C2 709207665 WDYGCOYCTYKIFE-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@H]1CNCC(C)C 710642185 RFGXRRQPYFJYEA-HRCADAONSA-N 271.876 4.817 30 10 CJEE C[C@H]1CCC(C)(C)C[C@]1(O)C1(C#N)CCCCCCC1 713118196 JIRHFAPBMJHTFT-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 715796318 PHINIVCRSNLHAS-CUSZFKRNSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC[C@H](CCOC1CC1)NC 716866780 DEBHABLINUFJTC-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCOc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 725402488 PEMNVEKDDIYDSJ-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@H]1c1cccc(C)c1C 1126449723 BSUZCLOVDKPZHV-MJGOQNOKSA-N 299.458 4.959 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCC[C@H]2CCC)CCCC1 1131111256 BTXRYXKKVGSZMM-SJORKVTESA-N 291.479 4.846 30 10 CJEE C#CCCCCCC(=O)N1CCCC[C@@H]1CCCCC 1131309822 YCVPOCKFLBDVBX-KRWDZBQOSA-N 277.452 4.532 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 1140605286 WNGSDOKOKVMCLA-OAHLLOKOSA-N 294.398 4.764 30 10 CJEE C=CC[C@H]1N(C[C@H](C)C(C)(C)C)CCCC1(C)C 1169845925 YLURKRSXAPTHOZ-LSDHHAIUSA-N 251.458 4.735 30 10 CJEE C=CCC1(NCc2ccc(OC)c(Cl)c2)CCCCC1 1175371769 LNHRBUURQVEVAX-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=CCCC[C@H](C)NCc1cc2cccc(CC)c2o1 1201656478 SYBPQXPUUIVYQT-AWEZNQCLSA-N 271.404 4.830 30 10 CJEE C=CCC1(NCc2cnc3c(F)cccc3c2)CCCCC1 1202407333 HODQOTTYQKVNSK-UHFFFAOYSA-N 298.405 4.743 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)c(C)cc1Cl 1218312845 FKHKVHCANNZLBL-CYBMUJFWSA-N 292.810 4.529 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCCC12CCCCCC2 1289816446 IMSVDEGQZBSLCO-MRXNPFEDSA-N 277.452 4.694 30 10 CJEE C=CCCC(C)(C)NCc1cc(C)c(OC(F)F)c(C)c1 1308476189 XIRCXOIOENKNMS-UHFFFAOYSA-N 297.389 4.739 30 10 CJEE C=CCCc1ccccc1N[C@H](C)Cc1ccccc1F 1308715267 WUGUSIDJSNHQTN-OAHLLOKOSA-N 283.390 4.987 30 10 CJEE C=CCC[C@H](C(=O)OC1CCCCC1)c1ccccc1 1352403706 MRYAZXQMVBUEQM-KRWDZBQOSA-N 272.388 4.612 30 10 CJEE C=CCC1(C(=O)N(CC)CCc2ccccc2)CCCCC1 1355558066 OGRCNLFSVBOKOD-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=C[C@@H](C(=O)NCC1(CC(C)C)CCCC1)c1ccccc1 1445626553 KGLVMVZNBVXZDD-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C/C(=C\Cl)CSCc1cc(Cl)cc(C#N)c1 1459056128 RKDLHYSMPYNBKU-WEVVVXLNSA-N 272.200 4.587 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@H](c2ccccc2)C(C)C)C1 1461020292 WMNVDKKPEPTQFA-BHIYHBOVSA-N 271.448 4.761 30 10 CJEE C=C1CCC(C(=O)N[C@@](C)(Cc2ccccc2)C(C)C)CC1 1462174500 IGNZWXPWISQARZ-FQEVSTJZSA-N 299.458 4.506 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CCCC23CCCCC3)C1 1462422229 UAFNEQLEGWYLFU-BRWVUGGUSA-N 261.453 4.824 30 10 CJEE C=CCc1cccc(F)c1OC(=O)O[C@@H](C)CC(C)C 1463913547 VBTRIXWXJCSOBE-LBPRGKRZSA-N 280.339 4.504 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@H](C)C[C@H]1CC 1470385279 VZJVTMVQZSMXIQ-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=CCC1(CNCc2cc(F)cc3cccnc23)CCCC1 1474145109 JGTHNFQZYLBOPI-UHFFFAOYSA-N 298.405 4.600 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CC(C)C)cc2)CCC1 1525531202 XXDXYQGXMVOGES-UHFFFAOYSA-N 271.404 4.570 30 10 CJEE C=CCC(C)(C)C(=O)Oc1cccc(C2CCCC2)c1 1537701314 CSFYGSDBAQNABL-UHFFFAOYSA-N 272.388 4.852 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCC2(CC2)C1 1537950341 YPVYWEOIDUEXNU-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1cccc(OC(C)C)c1 1538654014 HKVKTLUPPLEXEK-AWEZNQCLSA-N 290.403 4.680 30 10 CJEE C=CCCCCCOc1cc(C)c(Cl)cc1C=O 1559441743 ARWAFQSANRZVPA-UHFFFAOYSA-N 266.768 4.586 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](C)c1ccc(Cl)cc1 1559819823 DBRJUQZREHJGLH-HNNXBMFYSA-N 283.802 4.536 30 10 CJEE C=C(C)CCN[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 1560842048 LGVIQVBBJUOFHF-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1597307886 URWVNWJAVIEQMU-ZCDKGFTFSA-N 299.458 4.677 30 10 CJEE CCN1/C(=N/c2ccccc2C)S[CH][C@H]1c1ccccc1 1615006964 LFCZIPFHXLWGRU-NSURYPBFSA-N 295.431 4.954 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H](CC)[C@@H]1C 1635815254 RABJLSXCBUQLTD-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CCC1(NCc2ncc(-c3ccccc3C)o2)CCCC1 1647774988 QQWVRDYMVYIKOT-UHFFFAOYSA-N 296.414 4.629 30 10 CJEE C=CCOc1ccc(Oc2nc3cc(C)ccc3s2)cc1 1650787347 BOJRUFGNTBEBJZ-UHFFFAOYSA-N 297.379 4.962 30 10 CJEE C=CCCN(CC)[C@H](c1ccccc1)c1ccc(F)cc1 1652842156 KBKZUCHTKWQGKE-LJQANCHMSA-N 283.390 4.813 30 10 CJEE C=CC(C)(C)Nc1nc(Cl)c(C(F)(F)F)cc1Cl 1655937855 OGIAGRYZWSIWBM-UHFFFAOYSA-N 299.123 4.784 30 10 CJEE C=CCCC1(CNCc2cccc(C)c2F)CCCC1 1656623090 SLQZDNJKPCVYEM-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)CCCC(C)C)c1 1656636243 OWEJHIFDOKZJOM-INIZCTEOSA-N 275.436 4.556 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 1656684803 DOXSZCZJAZZDCE-IUODEOHRSA-N 283.337 4.540 30 10 CJEE C#CCOc1ccc(CNc2ccc3sccc3c2)cc1 1657438426 UZGLOAXJPYIEFZ-UHFFFAOYSA-N 293.391 4.525 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC(C)(C)C[C@H]3C)cc21 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CCCCCCCC[C@@H](OCCCN)[C@@H]1[C@H]2CCC[C@H]21 2292998719 ACWGYITZFAXFHH-XDNAFOTISA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H](C)C1CC1 2293461360 UTWVMSFXOLZBDP-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)[C@@](C)(OCCN)C1CCC(CCC)CC1 2293711880 PGCFZGXURKNZBT-FCCDEINASA-N 281.484 4.539 30 10 CJEE C=CCCCCCCC[C@@](CC)(OCCN)C(F)(F)F 2293778899 LGOYXCIETDQGDB-CQSZACIVSA-N 295.389 4.590 30 10 CJEE C[C@@H]1CC[C@@](C)(C(=O)C#Cc2ccccc2Cl)C1(C)C 2295156086 CLINUIRYRNBYPF-ACJLOTCBSA-N 288.818 4.723 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](C(C)(C)N)C1 2295520371 QBYUNVBRSBMWHF-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC1(CC)CC1 2295682868 VDCFLTNFEXRTSW-IAGOWNOFSA-N 283.500 4.786 30 10 CJEE C=C[C@](N)(CCC)c1ccc2oc3ccccc3c2c1 2295833073 LYZROFXBUPJCTQ-SFHVURJKSA-N 265.356 4.726 30 10 CJEE CC(C)(C)[C@](C)(CS)CSC[C@H]1CC12CCC2 2307228611 ZZUQPEFZRKZQFT-TZMCWYRMSA-N 272.523 4.892 30 10 CJEE CCCCCCC[C@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2 2316697108 KCAUBAXZLDXJDM-QAETUUGQSA-N 251.458 4.891 30 10 CJEE C=C(C)CC[C@H](C)NCc1ccc(F)c(C)c1Cl 2317110218 ZQZFAKRHGAPGFW-NSHDSACASA-N 269.791 4.622 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2319259778 ACNYHFKTCLAESY-IINYFYTJSA-N 288.193 4.749 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H](C)C1CC1)NCCC 2321128718 VSMSKQVLHCZUEO-XIRDDKMYSA-N 251.458 4.783 30 10 CJEE Cc1cccc(C)c1OC[C@](C)(CS)C(C)(C)C 2327100203 OXJZAABHTLROJX-MRXNPFEDSA-N 266.450 4.664 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CC[C@@H]2C[C@@H]2C1 2329759239 MACWKWGOADJCDK-ZACQAIPSSA-N 283.525 4.767 30 10 CJEE C=CCCCCCCNc1cccc(C(C)(C)F)n1 2337630111 ZBUZYDZITOQQAL-UHFFFAOYSA-N 264.388 4.835 30 10 CJEE Cc1c(CNc2ccc(C#N)cc2)ccc(Cl)c1Cl 2338666461 MLSDWIKAEGBIOL-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C#CCCCCCCN[C@H]1CC(C)(C)CC2(CC2)C1 2338795288 JXWVQUVZVODVHI-INIZCTEOSA-N 261.453 4.519 30 10 CJEE CC(C)(CC[C@@H]1CCC[C@H]2O[C@@H]12)Cc1ccccc1 2339505519 MZQFKXOUZNAUDB-BBWFWOEESA-N 258.405 4.603 30 10 CJEE CC1(C)C[C@@H]1C#C[C@@H](N)c1cc(-c2cccs2)cs1 2339623959 YWEFFFUUENSELU-QWHCGFSZSA-N 287.453 4.526 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 2343406140 BZDXROIUGNIBOX-USWWRNFRSA-N 296.197 4.606 30 10 CJEE C=CC[C@H](C)[C@H](CC1[C@H]2CCCCC[C@H]12)NCCC 2344385865 RXRQFLSEYGTXNJ-OVWQWFNUSA-N 263.469 4.783 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@@H](CCC)CC1 2352002607 CUMYZGZKCGIWBD-GDBMZVCRSA-N 284.465 4.890 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C[C@@H](C(F)(F)F)C1 2352907154 GVNCGBXAPYMNQA-MELADBBJSA-N 279.390 4.914 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1cc(C)ccc1C(C)C 2352920996 GETOYZIBNWVGEM-KDOFPFPSSA-N 259.437 4.981 30 10 CJEE Cc1cc(Cl)c(C#C[C@@H](N)C2CCCCC2)c(Cl)c1 2353122630 XELKFTPGBANGQA-MRXNPFEDSA-N 296.241 4.561 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](C)C[C@@H]1CCOC1 2353230231 OAAFQWOVUQTSRC-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CC(C)C[C@H](CS)CN(C)C1CC(CC(C)(C)C)C1 2353844077 BWFDFPNSSNEYRV-PCKAHOCUSA-N 285.541 4.725 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@]12C[C@H](CO1)C2(C)C 2359843199 BVALDDURFYNFKO-NUJGCVRESA-N 281.484 4.530 30 10 CJEE CCCCCCCCOP(=O)(OCC)OCC 3622058 AHCSHBOAPHEPDO-UHFFFAOYSA-N 266.318 4.545 30 10 CJEE in-vitro Cc1ccccc1[C@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@@H]21 14478546 GTYWVCPADWQSBI-ABSDTBQOSA-N 286.378 4.693 30 10 CJEE CC/C(=N\O)c1ccccc1OCc1cccc(Cl)c1 20012866 IJAXLPYZXGVVJC-OBGWFSINSA-N 289.762 4.507 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1ccccc1C#N 21500405 LIMOHLBCBZUDSL-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CC(C)c1ccc(SCCOc2ccccc2C#N)cc1 37143583 JNBYVXSIDRWLQF-UHFFFAOYSA-N 297.423 4.853 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154911 HEGVJNSKDZGJNX-YWPYICTPSA-N 263.381 4.636 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1 37936047 FJCBQOSQXCPPRP-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1F)c1cccs1 49546029 XBTDBUBPCZNKTF-CQSZACIVSA-N 274.364 4.712 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)Cc1ccccc1 57722899 DVJGIRFEXBCXQW-KRWDZBQOSA-N 279.383 4.668 30 10 CJEE CCCCCCCNc1ccc(Br)cc1 59089036 SUQPILQQUARJRW-UHFFFAOYSA-N 270.214 4.831 30 10 CJEE Cc1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1C 59247885 SXFQCZASIIENCP-UDWIEESQSA-N 276.383 4.854 30 10 CJEE CCCCCCCCNc1cccc(-n2ccnc2)c1 59422938 IEOYJXMDKJYATE-UHFFFAOYSA-N 271.408 4.645 30 10 CJEE CC[C@H]1CC[C@@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 88041346 USIALKOBZMXPQZ-SWLSCSKDSA-N 282.412 4.975 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)C(C)(C)C 94580083 LVJSBPLURQBFPG-CQSZACIVSA-N 273.530 4.869 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H](C)CC[C@@H]1C 94581851 UUJWAQGMHNRBSB-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCCCCCCCOC(=O)/C(=C/c1ccccc1)OC 100219952 QXVUGSHEKWUGTL-ICFOKQHNSA-N 290.403 4.578 30 10 CJEE CCC#CCCc1ccc(OCC)c(C(C)(C)C)c1 107591453 YZWBZPOCPJYELW-UHFFFAOYSA-N 258.405 4.729 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(OCC)c(C(C)C)c1 107598966 CJJVGOCQHICWOV-LSDHHAIUSA-N 258.405 4.972 30 10 CJEE CCCCCCCCOCc1cc(C)c(CNC2CC2)o1 110171314 ITBXWNPMAWPQRE-UHFFFAOYSA-N 293.451 4.717 30 10 CJEE CCCCCCC[C@@H](Nc1cccc(Cl)c1)C(=O)OC 110319167 MCCJROIHENEPHV-OAHLLOKOSA-N 297.826 4.654 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CCCc2ccccc21 112888437 RAWRSINLLVQUND-ROUUACIJSA-N 260.421 4.828 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(Br)s1 112910233 XNHWSCAWRLWCIH-SNVBAGLBSA-N 291.254 4.905 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1nccs1 112977755 IFJKNEJDALRJGG-OLZOCXBDSA-N 254.443 4.543 30 10 CJEE CCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@H]1[C@@H](C)CC 115238084 MFQARNYAZIYLRT-CADBVGFASA-N 296.543 4.691 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@H]1[C@@H](C)CC 115249472 PGOVBUSXPHZBQP-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCNC[C@@H]1Cc2ccccc21 117977264 IWMYOMLMLZLLDT-KRWDZBQOSA-N 259.437 4.667 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](O)c2ccc(F)cc2O1 122033980 SMHHIKJCQBMOGV-WBVHZDCISA-N 280.383 4.761 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](CN)CC(C)C 122523784 VOZFEAGYWAKVQP-MRXNPFEDSA-N 269.473 4.707 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC(CC)(CC)C1 128738090 QYYOQMWBBPRSPP-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCC[C@@H](NN)C1CCCC1 131231231 CZHDKZPEPVLZNM-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1C[C@@H]1c1ccccc1 158207662 IIVBMLYVYUSCEL-KURKYZTESA-N 259.437 4.739 30 10 CJEE C=CC[C@H](NCC)c1ccc(-c2ccccc2)cc1 161128986 VWNOUGNLVVFUMA-SFHVURJKSA-N 251.373 4.580 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(F)c(Cl)c2)CC1 164697576 DKGHVVRKECVBSI-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCCCC(=O)C1CCOCC1 165517758 BPTXGZPEEBYWNP-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 167445391 ZBYIINPUKUJLJC-ZJUUUORDSA-N 284.186 4.606 30 10 CJEE CCn1c(C)c(/C=N/Nc2ccc(C)cc2)c2ccccc21 169877703 BSOHDSJKRGNUOO-DEDYPNTBSA-N 291.398 4.724 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CCC1 189885696 LXVZXPRQFMOXJK-MRXNPFEDSA-N 283.415 4.833 30 10 CJEE C[Si](C)(C)C#CC1(C2(O)CCCCC2)CCCCC1 207009802 SRLODRPPSHXFQO-UHFFFAOYSA-N 278.512 4.513 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1cccc(Cl)c1F 211730333 VUELPFFQVRDNDA-CYBMUJFWSA-N 295.785 4.872 30 10 CJEE N#Cc1cc(F)cc(Oc2ccccc2C(F)(F)F)c1 227633160 PVTZLQWNCYKBMI-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE O=C(C1=CCCCC1)c1ccc(C(F)(F)F)c(F)c1 228421850 YFOSCNCQNNDHPP-UHFFFAOYSA-N 272.241 4.528 30 10 CJEE N#Cc1ccc(Cl)cc1NCCCCc1ccccc1 228440522 XGTGQIUHQQRNCX-UHFFFAOYSA-N 284.790 4.646 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc(OC)c1F 229052296 KIJKKZPBZNKWPQ-HNNXBMFYSA-N 281.415 4.845 30 10 CJEE CCCCCCCC[C@H](Cc1cncs1)NCCC 229218675 IZALULPGFMLQMR-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(C)c1Cl 229756178 ZXUPPCIGRTWECE-AWEZNQCLSA-N 251.801 4.655 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 232921440 KVXFRXPSVYDYFJ-NFAWXSAZSA-N 288.522 4.932 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(C)cc1F 233544418 LEMPPDDVJJNTHN-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=CCCCCCOc1ccc(C[C@H](N)CC)cc1Cl 233904495 LUMCKWKLIBPBTL-OAHLLOKOSA-N 295.854 4.745 30 10 CJEE CC[C@H](CC1CC1)Nc1ccc(C#N)c2ccccc12 234035923 MWSHEDDDMSTRLD-OAHLLOKOSA-N 264.372 4.702 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 252090391 HBIDEYYLQFZYKI-YABSGUDNSA-N 297.320 4.781 30 10 CJEE CCc1cc(C(C)(C)CC#N)cc(C(C)C)c1OC 260686532 USFMOXSEIGDVFC-UHFFFAOYSA-N 259.393 4.572 30 10 CJEE CCCCCCC[C@@H](C)N(CCC)C[C@H]1CCCCN1 300199717 MOEDPTGTSVCWFF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE N#Cc1ccc(Sc2cc(Cl)cc(Cl)c2)cc1N 302679346 PAHPBUJHTMRLHK-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE Cc1cc(SCCCCCS)nc2ccccc12 310618947 BBEVURMTICKFMG-UHFFFAOYSA-N 277.458 4.735 30 10 CJEE SCC1(CSc2ccc3ccccc3n2)CCCC1 311865260 RSHQSHHZAHLILU-UHFFFAOYSA-N 289.469 4.817 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)CC1 313429788 RRTOACNSAPVDBC-ZBFHGGJFSA-N 256.393 4.523 30 10 CJEE O=[N+]([O-])c1cccc(SCC2(CS)CCCCC2)c1 313565065 LGKXQVLWRYKXEM-UHFFFAOYSA-N 297.445 4.567 30 10 CJEE CC1CCC(C=O)([C@H]2CCOC3(CCCCC3)C2)CC1 317191584 KIQJFJLYUHQVBL-CGZBRXJRSA-N 278.436 4.511 30 10 CJEE C=CCCC[C@]1(CNC(C)C)CCC[C@H](CC)C1 317385854 AITCVEGNANJFLE-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1onc(C2CCCCC2)c1C 331355010 QBRCYULFSDZBNU-LBPRGKRZSA-N 290.407 4.572 30 10 CJEE 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C=CCCCCCCC[C@H](N)c1ccccc1OC 2227276988 VWGJWYVQQNMNTN-INIZCTEOSA-N 261.409 4.612 30 10 CJEE CCCCCCCCCCO[C@@H]([C@H](C)N)C(C)(C)C 2231009727 WKEOGIAGXVQBRS-HOTGVXAUSA-N 271.489 4.906 30 10 CJEE CCCCCCCCCCOC[C@H](O)C[C@@H](C)CC 2231032081 BZCXOUQVCONBTM-DLBZAZTESA-N 272.473 4.941 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H](C)C(C)C)C(=O)O 2231901833 STHBXGJQGJKQHX-HOCLYGCPSA-N 272.429 4.641 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1ccsc1C 2231927834 HLISTOSOSSONKU-CVEARBPZSA-N 283.481 4.558 30 10 CJEE CCCCCCCC[C@@H](C)NCCCc1nccs1 2231945991 LLITZWPJVQXEDV-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(Cl)cnc1OC 2232983625 YFYQQOYFCJNWRD-HNNXBMFYSA-N 299.842 4.918 30 10 CJEE C=CCCCCCCCCO[C@@H]1C[C@](C)(F)CC[C@H]1N 2234045277 WZRCHZFDWYJGNJ-BRWVUGGUSA-N 285.447 4.528 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc2c(c1)CCO2 2235521840 NJYNXPKSCJZXKT-KRWDZBQOSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCc2c(F)cccc21 2235533678 VBPXFSSMJSXDBF-GOSISDBHSA-N 275.411 4.843 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@]1(O)CCC[C@H]1CCC 2235537899 FUODYVBOWBGUPP-FGTMMUONSA-N 281.484 4.562 30 10 CJEE CN(C[C@H](CS)C1CCC1)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238147031 FCWVSAVNSWWNEO-ZACQAIPSSA-N 297.552 4.869 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)C(C(C)C)C(C)C 2239456548 MVRYCSCOEBDOQF-KRWDZBQOSA-N 291.866 4.598 30 10 CJEE CCCCCCCCCCCOC[C@@]12CC[C@H]1CNC2 2239552272 YCJXHHHRVAIITF-ROUUACIJSA-N 281.484 4.533 30 10 CJEE N[C@@H](C#Cc1ccc(Cl)cc1)c1csc2ccccc12 2239568252 JTKVXLONWCPDBC-INIZCTEOSA-N 297.810 4.606 30 10 CJEE CCCCCCC[C@H](N)C#Cc1ccc(CCC)cc1 2239648398 YOXYUYNEGSLOCM-IBGZPJMESA-N 271.448 4.678 30 10 CJEE CCCCCCCC[C@]1(CN[C@H](C)CC)CCCOC1 2240204449 TVOHUGZQBMLNRB-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H](C)CC1CC1)C(=O)O 2240617568 GUYZUVIPWJNAPF-YOEHRIQHSA-N 284.440 4.786 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CC1(C)CCCC1 2240640401 PTHWKQQDTJQPIJ-AEFFLSMTSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](C)Nc1ccc(F)c(CO)c1 2240645688 XGAWYANGNRPMKP-CQSZACIVSA-N 281.415 4.869 30 10 CJEE CCCCCCCC[C@@H](C)NCc1coc(CCC)n1 2240656910 IZWAHQFQNCYOQC-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE C=CCCSCc1cccc(Br)c1C 2241926910 XSRFVBFLBHKIKB-UHFFFAOYSA-N 271.223 4.567 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1sccc1CC 2248008026 VTFLDMDMNCGZQU-GXTWGEPZSA-N 251.439 4.563 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc(Cl)c(Cl)cc1C 2249728943 CALHYEWEXAQJLK-XPTSAGLGSA-N 273.203 4.938 30 10 CJEE C=C(C)CCCCN1Cc2ccc(Br)cc2C1 2250143617 YCKBXIHPKXHECK-UHFFFAOYSA-N 294.236 4.511 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc(Cl)cc1 2250160278 XHBZFAQAMGXJLO-OAHLLOKOSA-N 252.785 4.684 30 10 CJEE N#CC1(CC[C@H]2CCCCC23CC3)CCSCC1 2253883472 JWYNAICVFYEMOJ-CQSZACIVSA-N 263.450 4.774 30 10 CJEE C=CCCSCc1ccc([C@H](C)NCCC)cc1 2259043696 DUMHNBAZSWGCGB-AWEZNQCLSA-N 263.450 4.557 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(Cl)s1 2262399729 GHNOKBGRSWIMRP-LBPRGKRZSA-N 287.856 4.554 30 10 CJEE CNc1cccc(C#Cc2cc(Cl)c(Cl)cc2C)c1 2264366349 HKLXVXLCCGMRBH-UHFFFAOYSA-N 290.193 4.743 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@H]1CC[C@H](C(F)(F)F)C1 2264921134 FWWJHQIUDGGDEV-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CCSc1ccccc1NC1CC2(CC(C)C2)C1 2265309757 KHDGUUMMAGYGNY-UHFFFAOYSA-N 273.445 4.955 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(CC)ccn1 2269955625 VHIIASGJNBPALH-QGZVFWFLSA-N 262.441 4.569 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1sc(C)cc1C 2274070110 GWNSZFNKMFOTHP-MRXNPFEDSA-N 275.461 4.599 30 10 CJEE C[C@@](N)(CC#CC1CCCC1)c1cccc(Cl)c1Cl 2274171430 NNNNGKCCJYLGTE-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCCC[C@H]1C 2276757126 XSXAWLFKZHXBGZ-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C(C)=C(C)C 2276945293 WLVBHFVWJVZFCW-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccncc1C 2278167309 SIGUCMXGMFIIGO-QGZVFWFLSA-N 263.425 4.738 30 10 CJEE CCCC#CC[C@H](C[C@H]1CCCCC12CC2)NCCC 2279578925 KZYOSBGGRSOHPA-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CN(CC[C@@H]1CCCC12CC2)c1cccc(Cl)c1C#N 2281419031 JOVMVFHDFOTKDB-ZDUSSCGKSA-N 288.822 4.618 30 10 CJEE CC(C)(C)C#CC=CCN1CCCC[C@H]1c1cccs1 2284128755 IUJHZCIESRJTOE-INIZCTEOSA-N 287.472 4.881 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1CCCCCC1(F)F 2284178435 MDGCLZNLCNYHKB-HUUCEWRRSA-N 283.406 4.525 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCCCC1(C)C 2284178926 OCAYVXAPTXEDQB-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1c(F)ccc(Cl)c1F 2284180448 MUUKJYYZSHQJLV-ZDUSSCGKSA-N 298.760 4.647 30 10 CJEE C=CCCCCCCCSc1ccc(C(=N)N)cc1F 2287062705 IYHQTERBNBPLSH-UHFFFAOYSA-N 294.439 4.728 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)CC(CC)CC 2287389167 AWUCADCXFNNPHK-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CCOCC1(C)C 2287408857 NMPDRARYCWOCML-IAGOWNOFSA-N 281.484 4.554 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1CNC(C)C 2287414168 OJBNAZRAHRIHOK-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCc2ccccc2C1 2287467855 QONWBMPMYDQHRJ-OALUTQOASA-N 271.448 4.516 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@]12CCCC[C@@H]1CC2 2289044651 KBHASOAKPWWIND-SJLPKXTDSA-N 276.468 4.609 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@]12C[C@@H](CO1)C2(C)C 2289209498 UVSIVLJLWKHGHC-LZLYRXPVSA-N 281.484 4.530 30 10 CJEE N#Cc1cc(F)cc(SC2CC3(C2)CC2(CCC2)C3)c1 2289703823 JLSYBKBVYWPPOS-UHFFFAOYSA-N 287.403 4.902 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21 2289777108 NJRPLKSZKQAIFY-NCXUSEDFSA-N 274.448 4.538 30 10 CJEE CC1(C)CCC(C)(C)[C@](N)(C#Cc2cccc(Cl)c2)C1 2290216257 LZBOVAGUZYWYBB-SFHVURJKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](CC=C(C)C)OCC(=O)O 2291162893 YTNVKCBZCUPPSY-INIZCTEOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@@H](CC1(C)CCC1)OCC(=O)O 2292015743 LQTXIBIIPWQQIO-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=C([C@@H](OCCCN)c1ccc(C)cc1Cl)C(C)(C)C 2293348388 MRCWIPBQYOTUND-MRXNPFEDSA-N 295.854 4.657 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1cocc1C 2293448790 MBCUHWPPIDANEL-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H](C)[C@@H](C)C1 2294046883 CIYWMECPKPBBRH-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@](C)(OCCN)c1ccc(CC)s1 2294049967 FWRKNIFIXYNCAS-QGZVFWFLSA-N 295.492 4.638 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@]12COC[C@H](C1)C2 2295587977 LNQISUYZGAGZLP-OKZBNKHCSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnn(C(C)C)c1 2295597368 UXAPYRSHHMTAPG-KRWDZBQOSA-N 279.472 4.779 30 10 CJEE CCCCCCCCC[C@H](C)NCC1CC(OCC)C1 2295691172 JBKRLZDCSOWTJX-AOCRQIFASA-N 283.500 4.920 30 10 CJEE Cc1ccc(C)c(C(=O)C=CNc2ccc(C)c(C)c2)c1 2296876450 WUKXXRBDOPZGDG-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccccc2)c1C 2297630811 JOGIPYKSMRHSHN-UHFFFAOYSA-N 264.368 4.816 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(Cl)c1F 2304123496 VSQYLRFDRCQTTB-ZIAGYGMSSA-N 256.748 4.505 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCC[C@@H]2C[C@H]12 2312410332 UMKPVSSFVVJKAY-QZWWFDLISA-N 250.426 4.700 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1C[C@@H]2CC[C@H]1C2 2312897853 AQLZXPIVVQPDPD-LTIDMASMSA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)Nc1cccc(C(F)(F)F)c1 2316677494 ONBHDMZHAULVDM-UHFFFAOYSA-N 255.283 4.638 30 10 CJEE O=C[C@]1(CC2CCCCCC2)CCCC(F)(F)C1 2316860343 GSBCFCBCOBYIAO-AWEZNQCLSA-N 258.352 4.742 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1CCC(C)(C)C1)NCCC 2319319759 ZBEJLLQRNRHMDT-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cscc1CC 2321101172 HUHZHJMWCMMCOP-HNNXBMFYSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CC(C)(C)[C@@H]1C 2321130800 LYQRLMSXYXRWHE-RBSFLKMASA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1csc(C(F)(F)F)c1 2321223931 PKILUBODMPMLDQ-RYUDHWBXSA-N 278.339 4.793 30 10 CJEE CC(C)C[C@@H](CS)COCCC(C(C)C)C(C)C 2328522711 JKULMEJYGNEYLL-OAHLLOKOSA-N 274.514 4.913 30 10 CJEE CCC(=NOCc1ccccc1Cl)c1ccccc1 2330245816 VPCVGJOJBSIOAL-UHFFFAOYSA-N 273.763 4.671 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)[C@]12CCCC[C@H]1C2 2335095671 DRTLWZBEFGHUNV-QAETUUGQSA-N 281.509 4.633 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCC2(CC2)[C@H]1NCCC 2335103928 SSEJMXOBQFHXOL-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)c(F)c1 2337067276 ITOTWQBJCAYFSF-BFQNTYOBSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(F)cc1Cl 2337093168 BHPUCWXFWBAONA-XHBSWPGZSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(C)ccc21 2337151739 SKLWAQYJLCUVGO-OCCSQVGLSA-N 272.417 4.551 30 10 CJEE C=CCCCCCCC[C@@](N)(CC)[C@H]1CCCCO1 2337300643 DZVPLSHZECBKQA-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1CCCCCC1(F)F 2338743571 GSKOZRBBUKOPGE-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE C#CCCCCCCN[C@@H](C)[C@H]1CCCC(C)(C)C1 2338806788 ZMAYNJQHTCZTPQ-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE C=CCCC[C@](N)(CC)c1ccc(C(F)(F)F)cc1 2343737044 PXAQRBSTDDZEET-CQSZACIVSA-N 271.326 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(F)c(C)c1 2344342175 HWMJWGOWQKMHJB-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)cc(F)c1F 2344382648 YBJRVFRQQXEPLV-HOTGVXAUSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(CC2CC2)c1 2344398154 VRCZEOQLQYUILN-GOSISDBHSA-N 256.389 4.814 30 10 CJEE C=CC[C@H](C)SC1(C(=O)O)CCC(C(C)(C)C)CC1 2352003914 BJJYUTYFSXGJIS-FUJMWEONSA-N 284.465 4.744 30 10 CJEE CCCC1CCC(C#N)([C@@H](C)C[C@H]2CCOC2)CC1 2353288398 URJOKQAGSRURFC-ORBLRFAASA-N 263.425 4.549 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359108805 JWLJLAOLCKAQDG-BSDSXHPESA-N 281.484 4.660 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 20563746 HJJVHJSOZLNISO-AWEZNQCLSA-N 276.383 4.610 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1cc(F)ccc1F 35676272 OFQLRQMKAWRXJN-ZWNOBZJWSA-N 267.344 4.529 30 10 CJEE Cc1csc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)n1 37155752 ODJPFLNRTIOKAD-JHJVBQTASA-N 294.489 4.898 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)cc(Cl)c1 54823591 PRTWIIBWNXHVKB-IINYFYTJSA-N 283.202 4.878 30 10 CJEE CCOc1ccc([C@@H](C#N)CCCOc2ccccc2)cc1 57690219 DFTYFRWREUTUGZ-QGZVFWFLSA-N 295.382 4.552 30 10 CJEE CCCCCCCCCNc1cccc(NC(C)=O)c1 59088952 NHADKEGZBLJZIZ-UHFFFAOYSA-N 276.424 4.808 30 10 CJEE CCCCCCCCN[C@H](C)CCc1ccc(O)cc1 59474578 NBHWRCOOIUQGAO-MRXNPFEDSA-N 277.452 4.663 30 10 CJEE CC(C)c1ccc(-c2nc3cc(Cl)ccn3c2C#N)cc1 74376340 XIYYTYLBJXUSDD-UHFFFAOYSA-N 295.773 4.650 30 10 CJEE CC(C)Oc1cccc(-c2cc(CC#N)c(C(C)C)o2)c1 77079325 NDAVRIKODJYGPZ-UHFFFAOYSA-N 283.371 4.923 30 10 CJEE CCCc1oc(-c2ccc(OCC)c(OCC)c2)cc1C#N 77081682 VOSPNPXIYAODBX-UHFFFAOYSA-N 299.370 4.568 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(F)c(C#N)c2)CC1 86946189 CPDOJZAMXPNWTF-DZGCQCFKSA-N 274.383 4.858 30 10 CJEE N#CC1(Cc2ccc(F)cc2Cl)CCCCCC1 87945824 FQMXGWBNIQEDNW-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE C=CCOc1c(Br)cc(C)cc1C(C)(C)C 90750731 UJUKEPIKYAKNKE-UHFFFAOYSA-N 283.209 4.620 30 10 CJEE CC(C)N(Cc1ccccc1)CC1(CS)CCCCC1 94578634 WJLVOPFWKOOAKC-UHFFFAOYSA-N 291.504 4.777 30 10 CJEE CC(C)(C)[C@H]1CCCN(CC2(CS)CCCC2)CC1 94581617 RPACNYZJAQOICV-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE CC(C)c1ccccc1OCC1(CS)CCCC1 94583177 UMTTWXHJJDTSHR-UHFFFAOYSA-N 264.434 4.679 30 10 CJEE Cc1cc(OC[C@H](CS)C(C)C)cc(C)c1Cl 94584465 TZKUNTBFGMHTGA-GFCCVEGCSA-N 272.841 4.538 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](CC)CCC1=O 94588135 RGQCASYKVXZKBY-HNNXBMFYSA-N 299.524 4.542 30 10 CJEE C=C(CC)C[C@@H](NC)C(CC)(CC)c1ccccc1 97208737 UKCBWHFYQYIXQQ-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE CCN(CCCCCCCCCS)Cc1ccncc1 97799341 QAVYVPUXPXEXKD-UHFFFAOYSA-N 294.508 4.564 30 10 CJEE CCCCCCCCCCCC(=O)CN(CC)CC 100692023 OXEMTBRGBDCNLE-UHFFFAOYSA-N 269.473 4.818 30 10 CJEE CCC#C[C@H](C)Cc1cc2c(cc1Cl)CCCC2 107568911 BHMJRVINEXVKCF-ZDUSSCGKSA-N 260.808 4.811 30 10 CJEE CCCCCCCCCCCCn1ccnc1CNCC 109692238 XDHMUTQWYZBSAQ-UHFFFAOYSA-N 293.499 4.914 30 10 CJEE CCCCCCCO[C@H](CNCC)c1ccccc1Cl 110067988 OLLUTRNHEIRHAX-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCCCCCCOC[C@H](NC)c1ccc(C)cc1C 110081453 GOQLGYDBIOEIJQ-SFHVURJKSA-N 277.452 4.551 30 10 CJEE Cc1c(Cl)cccc1Nc1nc2c(cc1C#N)CCCC2 110251643 LJTZCVQSKXWLNQ-UHFFFAOYSA-N 297.789 4.538 30 10 CJEE CCCCCCCCCCN1C[C@H](C2CC2)NC[C@@H]1CC 114072193 IRTQEIVNXMXESO-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1Cc2ccccc21 114384539 PWPMIMGAWPQDFP-MSOLQXFVSA-N 259.437 4.665 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H]1CCCO1 114993998 ICCIAGNJGMTCJQ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@H](CN)N1CCCCc2ccccc21 115937108 XFBKLKAORXCOSM-GOSISDBHSA-N 288.479 4.517 30 10 CJEE CCCCCCC[C@H](N)CSc1cccc(C)c1 117421958 WGMYNIZQHUCHHE-HNNXBMFYSA-N 265.466 4.775 30 10 CJEE CCCCCCCCCCn1ccc([C@@H](C)O)c1 118237273 YTZHZVVACVDXAK-OAHLLOKOSA-N 251.414 4.682 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@]1(C)CCCS1 122691044 FTVVMMCYMIOSJQ-CVEARBPZSA-N 286.529 4.635 30 10 CJEE CCCCCCCCCCC[C@H](Cc1ccoc1)NN 124577057 BBMBPJLKJSMLTB-QGZVFWFLSA-N 280.456 4.575 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1Cc2ccccc21 126590756 WCVNILWWZDXWBL-OALUTQOASA-N 288.479 4.689 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1ccccc1F 127326869 DSNUSWFLTGTPTQ-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCNc1c(N)c(C)nn1CCC 129215904 IOSVIACEJDSMND-UHFFFAOYSA-N 294.487 4.736 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1c(C)nn(C)c1C 129238626 BROYQOMHVDJAPZ-HNNXBMFYSA-N 293.499 4.828 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC2CC2)c1 132345384 PRDJGQSAVXRKBT-KRWDZBQOSA-N 261.409 4.588 30 10 CJEE C#CCCC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 133975917 TYJGVJKATYIKGG-GOSISDBHSA-N 285.475 4.535 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2c1NCC2 135490046 WMDHXQCJSPIGHA-KRWDZBQOSA-N 275.436 4.829 30 10 CJEE CCCCCCCCC(=O)CC[C@@H](CCN)C(C)C 159667809 FURMLDKZSFVBHP-INIZCTEOSA-N 269.473 4.707 30 10 CJEE CCCCCCCC(=O)c1ccc(Cl)cc1OC 164709558 IKBAEQOCDGVHGT-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(OCCC)c1 167688444 NJFRITCZVVFRDF-SFHVURJKSA-N 275.436 4.872 30 10 CJEE C=CCCC[C@@H](NC)C1CCC(CCCC)CC1 167718715 OQXPPIYFIRFLCI-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCN(CCCC(C)(C)C#N)[C@@H]1c1cccc(F)c1 175150570 VBTFZAUSKGGUFD-PBHICJAKSA-N 288.410 4.539 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(C(C)C)cc2)C1 218350969 PSIUWQMNEHAWGG-FHLIZLRMSA-N 271.404 4.563 30 10 CJEE CCCCCCC[C@H](NC)[C@@]1(OCC)CCC[C@@H](C)C1 227748149 ASVJMSZHBWCAPS-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C#CCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 227925808 FVZLASZYAZCWSA-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C=CCC[C@H](C)N[C@H](c1cccs1)C1CCCC1 228823261 UUBDGALYYZHZIS-BBRMVZONSA-N 263.450 4.924 30 10 CJEE CC(C)(CCc1ccccc1)Nc1ccc(F)cc1C#N 229304341 SUQWSOOTFGUOIN-UHFFFAOYSA-N 282.362 4.521 30 10 CJEE CC(C)[C@@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)C1 231020620 AGDKWZRYEPPNIY-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@H](O)c1ccc(C)c(F)c1F 231723041 WJJBVVWJAPMSLH-ZDUSSCGKSA-N 256.336 4.667 30 10 CJEE CCCCCCC[C@H](C)N(C[C@@H]1CCCCN1)C(C)C 232944215 CRIYHDXPEYCHDO-ROUUACIJSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](NCCC)c1ccc(F)c2ccccc12 233121599 GEAZUUVKLSNWBV-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE C=CCCCCC[C@@H](NCC)C1Cc2ccccc2C1 233601129 DVIZLGYKFPZHEP-LJQANCHMSA-N 271.448 4.516 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1F 235238260 YBRQFEHAHZQDCD-SECBINFHSA-N 292.716 4.663 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(C3CCC3)c2)CC1 235380864 POTSORZEQRSTFM-ZDUSSCGKSA-N 254.373 4.883 30 10 CJEE C=CCCCCCC(=O)c1cc(F)ccc1Br 236150278 FGLTVYRPIVASJV-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE N#CCCCCc1ccc(-c2ccc(F)cc2)cc1 247753117 URZVEDVYIDLLGP-UHFFFAOYSA-N 253.320 4.729 30 10 CJEE CCCN[C@]1(C#N)CCC[C@H](S[C@H]2CCC[C@@H](C)C2)C1 250719366 ALDFYMMQMRFRRA-LTIDMASMSA-N 294.508 4.503 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCCC)[C@]1(C)CC 250831333 RGQNMUGOERBTRL-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE COc1cc(C)c(C(F)(F)CCC#N)cc1C(C)C 259013906 OPPDGCOFUSBUER-UHFFFAOYSA-N 267.319 4.523 30 10 CJEE Cc1cccc2c1C1(CCCCC1)[C@H](CC#N)CC2 260669525 RSMCRCAHJCWKTF-INIZCTEOSA-N 253.389 4.673 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@H](C)CC[C@H]1C 300515202 AVBUCXDFGUIYJP-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CC[C@@H](C)[C@H](C(=O)CC#CC(C)(C)C)c1ccccc1 312224978 HBJOJKGKHMCJEN-QAPCUYQASA-N 270.416 4.825 30 10 CJEE Cc1cccnc1CC1(C#N)CCC(C(C)(C)C)CC1 312266860 FQWUETXVDYVWTE-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCOc3ccccc32)C1 312475294 GKWRTYZGKBPDTC-VKJFTORMSA-N 269.388 4.663 30 10 CJEE C=C(CC)CN[C@H](c1ccccc1)C1CCCCC1 313499122 OJSYTFQIDPRXRO-GOSISDBHSA-N 257.421 4.864 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)OC)CCC=CO1 317309325 BDUDHUOAVYHGAH-KRWDZBQOSA-N 282.424 4.753 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(n1)CCCC2 380431436 KCTSSFXXIHAYRC-UHFFFAOYSA-N 273.420 4.894 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cccc(C(F)(F)F)c1 384855258 LSGWZSTZFVWMPR-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(F)c(Cl)c1 384889892 SZTDEDFZMIVRFT-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCNC1CCC(CSC)CC1 385842128 NTOVAKRZEJLPRA-UHFFFAOYSA-N 271.514 4.858 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@@H]2CCC[C@@H](CC)C2)CC1 394647364 WEXLINIMTKUWQR-YZMJHREJSA-N 277.452 4.674 30 10 CJEE CC1([C@@H](C#N)Nc2ccccc2Cl)CCCCC1 394743036 XTNCOBYUWHPNTM-CQSZACIVSA-N 262.784 4.614 30 10 CJEE CCCCCCC[C@](C)(CNCC)c1ccccc1 405665200 QAKDIAOGAVEAHD-GOSISDBHSA-N 261.453 4.914 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)c1cccc(C)c1 410346788 XJVDYCIOOPCZDS-INIZCTEOSA-N 293.410 4.856 30 10 CJEE C=C1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CCCC[C@@H]3[C@@H]12 675083717 KNVWWCVZORBSTC-FYAJOAKPSA-N 270.416 4.684 30 10 CJEE Cc1c(N[C@@H]2CCCC[C@@H]2C#N)cccc1C(F)(F)F 689659480 GEVFELPOVYGRPM-BXUZGUMPSA-N 282.309 4.508 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(Cl)cc(F)c1F 690968694 CPKMTAWTEQXDHH-CQSZACIVSA-N 299.792 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CC2CCC1CC2 692222867 VEPCZXCDMBDEAA-KWXGJIJISA-N 261.453 4.537 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1cc2cscc2s1 693959584 NSHXUFFXTQMCNU-LBPRGKRZSA-N 288.372 4.779 30 10 CJEE Cc1ccc(CS[C@H]2CCC[C@H](C)C2)cc1C#N 701870707 TVZYCFLWRHVLBQ-LRDDRELGSA-N 259.418 4.679 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)C[C@@H]1C 703333920 HGNPQBXSTVREIK-RDJZCZTQSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@](C)(N)CCCC(F)(F)F 704507688 QBHUUJMGLLSXAR-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CCCC[C@@H]2C)CC1 704934147 QOAINUCTLNRPIP-ORBLRFAASA-N 250.426 4.844 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1scc(C)c1Cl 710591952 QTOHXDVIIATNAL-SECBINFHSA-N 264.221 4.503 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2cc(F)ccc2s1 710616738 BSQOUTRAPAUMAL-GFCCVEGCSA-N 283.799 4.834 30 10 CJEE CC(C)CCOCCC1(C=O)CC(C)(C)CC(C)(C)C1 710837328 OYPZRTQTQQXCMD-UHFFFAOYSA-N 282.468 4.861 30 10 CJEE C[C@@H]1CCCC[C@@H]1/N=C1/NC2(CCCCCCC2)CS1 713203581 UMAWQTNTBWELPW-CABCVRRESA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@@H](C)NCC(C)(C)c1ccncc1 714287127 WMOXOYDIVIJVRV-MRXNPFEDSA-N 276.468 4.698 30 10 CJEE C#CCCCSCc1csc(-c2ccc(F)cc2)n1 766739041 SZBGSHVHQLHXBK-UHFFFAOYSA-N 291.416 4.596 30 10 CJEE C=CCCCCC[C@@H](C)NC1CCC(OC(F)F)CC1 825143654 HJNBCODFOZQZTD-WLYUNCDWSA-N 289.410 4.651 30 10 CJEE C(=Nc1ccc2c(c1)oc1ccccc12)c1ccccn1 1084059878 ZUHRUMYTJFXBDT-UHFFFAOYSA-N 272.307 4.732 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)C=C1CCC(C(C)(C)C)CC1 1128496704 YJWWVPWBLARUFJ-ZYMOGRSISA-N 289.463 4.716 30 10 CJEE COc1cc(Nc2ccc3sccc3c2)ccc1C#N 1213933269 SPJZTJHNNAUPCO-UHFFFAOYSA-N 280.352 4.525 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl 1214145320 GJLFZKCLTUKRNK-ZDUSSCGKSA-N 292.810 4.611 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)c2cccc(CC)c2)c1 1220337249 MIDQNPGVAPPVNF-UHFFFAOYSA-N 294.398 4.950 30 10 CJEE C=CC[C@@H](CC)NC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1227345385 AETFSKNWOQUWDI-CQSZACIVSA-N 294.483 4.587 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)CCCCCC 1270902990 FAMSEAKJPQJAJW-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CCc1ccccc1)C(F)(F)F 1308643593 WBOMKYJNFRBHFA-HOTGVXAUSA-N 299.380 4.885 30 10 CJEE C[C@H](OC(=O)CC1CCCCCC1)c1ccc(C#N)cc1 1361168106 BOQHUNVRTQLEGB-AWEZNQCLSA-N 285.387 4.523 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H](C)c2ccccc21 1435840321 VPALWWXGKSPPSX-GJZGRUSLSA-N 271.404 4.519 30 10 CJEE C#CC[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)c1ccccc1 1458089490 RLULYRHVBPWPOZ-HKUYNNGSSA-N 297.442 4.640 30 10 CJEE C#CCCCCCCN(C)[C@H](C)CSc1ccccc1 1460359527 GYPCZXCJYKJJNW-QGZVFWFLSA-N 289.488 4.683 30 10 CJEE C=CC1(CC(=O)NC(C)(C)c2ccccc2C)CCCCC1 1460362420 ICQVBMVHPANZFJ-UHFFFAOYSA-N 299.458 4.873 30 10 CJEE C=CCC[C@@H](C(=O)N(CC)CC(C)(C)C)c1ccccc1 1460400817 AONLGZYRQZCADR-QGZVFWFLSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H](CC)NC(=O)NCC1CCC(CCCC)CC1 1468240323 RXEAFXYTIRKAPP-OFLPRAFFSA-N 294.483 4.637 30 10 CJEE C=CCCCCCN(C)Cc1c(C)cccc1Cl 1473179125 OVBYFAKIHQLCKL-UHFFFAOYSA-N 265.828 4.827 30 10 CJEE C=C(C)CN[C@@H](C)c1cccc(SC(F)(F)F)c1 1473807227 MDIOUJBTEZOWJG-JTQLQIEISA-N 275.339 4.525 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC(F)(F)C(C)(C)C)c1 1477188678 OOWHMALWLAYXCR-UHFFFAOYSA-N 296.361 4.523 30 10 CJEE C=CCCCCNC(=O)N[C@H](CCCCC)C(C)(C)C 1477882470 BGYCPMMDOHTOFQ-OAHLLOKOSA-N 282.472 4.637 30 10 CJEE C=CCCCCCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 1525671862 SLSHNQJVAMBMIS-YJBOKZPZSA-N 279.468 4.702 30 10 CJEE C=CCCC1(CNC(=O)c2cc3ccccc3o2)CCCC1 1528533982 CRPVVZLBCQTNHI-UHFFFAOYSA-N 297.398 4.689 30 10 CJEE C=C(C)COc1cccc(NC(=O)CCCC(C)(C)C)c1 1529832802 MOQXRJWEANRMSM-UHFFFAOYSA-N 289.419 4.796 30 10 CJEE C=CC[C@H](C(=O)OCc1cccc(CC)c1)c1ccccc1 1530304012 ZOJJYKHDYQNWEY-IBGZPJMESA-N 294.394 4.652 30 10 CJEE C=CCC[C@@H](C(=O)NCC[C@@H](C)CCC)c1ccccc1 1533847067 MRSKMUCYJXXDDS-FUHWJXTLSA-N 287.447 4.679 30 10 CJEE CCCCCCCCNC(=O)c1cc(C)nc2ccccc12 1534004193 KTVGVFCHLMUYFY-UHFFFAOYSA-N 298.430 4.634 30 10 CJEE C=CCN(C(=O)c1ccc(Cl)c(CCC)c1)C(C)(C)C 1539405449 ZSMNZGSGQIPHRQ-UHFFFAOYSA-N 293.838 4.719 30 10 CJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)CC(C)C 1559830583 MJDYFLPWCPULOQ-KRWDZBQOSA-N 291.483 4.524 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@H]1CCC[C@H]1C)c1ccccc1 1585904471 XVWQRDUHFNLUBF-QRQLOZEOSA-N 299.458 4.679 30 10 CJEE C=C(C)CCC(=O)Nc1nc(C2CCCCCC2)cs1 1596766867 CAHOGTXQQQBPGV-UHFFFAOYSA-N 292.448 4.876 30 10 CJEE CCCCOc1ccc(C2(C#N)CCCCC2)cc1 1614662683 NDHGZYZTRQSMGP-UHFFFAOYSA-N 257.377 4.591 30 10 CJEE C=C(C)c1cccc(NC(=O)CCCc2ccc(F)cc2)c1 1616752167 LUSLNGOEMBMNHM-UHFFFAOYSA-N 297.373 4.820 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCSC(C)(C)C 1617465576 HRFPGWBJQLQNNQ-HUUCEWRRSA-N 297.508 4.549 30 10 CJEE C=C[C@H](C)ONC(=O)Nc1c(C(C)C)cccc1C(C)C 1622853755 CJHHLRQQCUIWNW-ZDUSSCGKSA-N 290.407 4.561 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(-n2cnc(C)c2C)cc1 1652564384 URDHVIHIVCYEIY-MRXNPFEDSA-N 283.419 4.646 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1CF 1653500595 OXPZKDIHGVJSOV-UHFFFAOYSA-N 283.390 4.734 30 10 CJEE C=CC[C@@H]1CCN(Cc2nc(C3CCCCC3)cs2)C1 1654348805 VTYSJEWREFBZPK-CQSZACIVSA-N 290.476 4.589 30 10 CJEE C=CCCCCCN1CC[C@@H](C)C[C@H]1c1ccco1 1657406347 AZUQLQYIPPRNKC-CVEARBPZSA-N 261.409 4.799 30 10 CJEE C=CCCCCN[C@H](CC)Cc1ccc(Cl)cc1 1657841737 RYGFBBQEJXNHDQ-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 1658399644 XKRYLOAIZFYHHK-JQHSSLGASA-N 275.411 4.738 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)CCCC(F)(F)F 1659683259 BXDDHDADMIMZEO-OLZOCXBDSA-N 265.363 4.832 30 10 CJEE C=CCCC1(CNCc2cccc(CC)c2O)CCCC1 1660263602 RDJKPPQXINLKII-UHFFFAOYSA-N 287.447 4.571 30 10 CJEE C=CC[C@H](C)NCc1cccc(Oc2ccc(F)cc2)c1 1661458954 SWAYBOPBTLFXRL-AWEZNQCLSA-N 285.362 4.672 30 10 CJEE C#Cc1ccc(N[C@@H](CCC)C2CCC2)c(Cl)c1 1665798726 BXBHOABGIPSQOZ-HNNXBMFYSA-N 261.796 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)N2Cc3ccccc3[C@@H]2C)c1 1681067584 YQLXCFDXFCKYFI-AWEZNQCLSA-N 292.382 4.828 30 10 CJEE N#CCc1cncc(-c2c(Cl)ccc(Cl)c2Cl)c1 1848375235 WRXCAKIIVHOLSU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE N#CCc1ncc(Cl)cc1-c1cccc(Cl)c1Cl 1848376910 ROPLXGOJFLTFEG-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC(C)=C(C)C(=O)C1(c2ccccc2)CCCCC1 1877447979 HNSSANBPHVFHQL-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE CC#CCCCC(=O)c1c(Cl)cccc1C(F)(F)F 1879661840 XEOHWFLCEWGQKR-UHFFFAOYSA-N 288.696 4.735 30 10 CJEE CC#CCCCC[C@H](NCCC)c1c(C)coc1C 1885238790 XPRCFHDCMHPIHH-INIZCTEOSA-N 261.409 4.521 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cc(F)ccc1Cl 1887473619 AHOYEIOTRYHPJF-LRDDRELGSA-N 281.802 4.569 30 10 CJEE C#CCN(Cc1ccccc1)C[C@H]1CC[C@H](CCC)CC1 1889661802 MJDDFDYSNTWDFJ-KESTWPANSA-N 283.459 4.728 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CCC(C)=C(C)C1 1892361482 ITYJHHKHCDSBLL-LJQANCHMSA-N 269.432 4.811 30 10 CJEE C=CCC(CC=C)SCC1(CS)CCCC1 1899424270 KHVTVQQPWNFXTO-UHFFFAOYSA-N 256.480 4.731 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](O)CC)cc1 1914556543 LMULMJSUIUEVSR-FQEVSTJZSA-N 295.426 4.713 30 10 CJEE 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277.456 4.723 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@]1(C)CCOC1 2207407072 BEQSXPUOYNRLLM-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCC2(CCC2)O1 2207410092 PBBKXTLRFLFSIR-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCC[C@H](O)CCC[C@@H](N)CC 2207438624 SEIGCSQBWCKIAN-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@H](O)CCCCCCCN 2207441140 GMOJIBYDKCXUNZ-SFHVURJKSA-N 283.500 4.953 30 10 CJEE C=CCCCCCCCC[C@H](NN)C1(C)CC(C)(C)C1 2207442843 USNRCHWENVTKPX-INIZCTEOSA-N 280.500 4.951 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@H]1CCC[C@H]1C 2207444790 MKFLVWZHGJYJMH-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1CCC=CO1 2207445381 BMHFQNCZISRTQA-ZWKOTPCHSA-N 279.468 4.964 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)c1cccc(Cl)c1 2207451591 WCRHWQBWVUKDAD-IRXDYDNUSA-N 297.870 4.712 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCCC)[C@H](C)CCC 2207457039 MZXVLQNUZBUROF-FGTMMUONSA-N 285.516 4.902 30 10 CJEE CCCN[C@](C#N)(CS[C@@H]1CCC[C@@H](C)C1)C(C)(C)C 2207583494 KAIIQDUFEFDBHZ-BFYDXBDKSA-N 296.524 4.606 30 10 CJEE CCCCCCC[C@](C)(N)c1sc(C)cc1C 2213644541 HIRRUSZQIWPFBY-HNNXBMFYSA-N 253.455 4.899 30 10 CJEE CCCCC[C@@H](C)Oc1cccc(Cl)c1C#N 2215135083 HIUBPHMKAAFEFN-LLVKDONJSA-N 251.757 4.559 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]1C(F)(F)F 2217672259 HNEJETXLSAOUHA-AGIUHOORSA-N 266.347 4.686 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccsc1OC 2220080465 URNOQAUFARSMRH-CQSZACIVSA-N 268.422 4.707 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCS[C@@H](C)C1 2220086414 QKAGTDKJLFXIIS-JYJNAYRXSA-N 270.482 4.796 30 10 CJEE CCC[C@@H](C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2220269815 YNGBKQCIBOVNQC-KOLCDFICSA-N 284.186 4.606 30 10 CJEE CC1(C)CC=C(C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225283900 IXKUEIGDZBUYGM-MIFYACCESA-N 260.421 4.908 30 10 CJEE C=CCCCCCCCCO[C@H](CC)[C@@H](O)CCC 2225682566 VJKNCHATLQJSSC-DLBZAZTESA-N 270.457 4.859 30 10 CJEE C=CCCCCCCCC(=O)C1C[C@H]2[C@H](C1)C2(F)F 2227287706 MOEJLJBVOIYTRW-KBPBESRZSA-N 270.363 4.764 30 10 CJEE C=C(C)CC[C@H](C)Nc1c([N+](=O)[O-])ccc(F)c1Cl 2227434609 WYMHVCUECFHVIK-VIFPVBQESA-N 286.734 4.544 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1c(N)ccc(F)c1Cl 2227508131 AHUMVIXZYXORML-ZWNOBZJWSA-N 282.790 4.608 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@]1(C)CC=C(C)CC1 2229047221 XINWGZSAOSGDCG-ROUUACIJSA-N 261.453 4.685 30 10 CJEE CCCCCCCCCOC[C@@H](C)CNC1CCC1 2230991289 CNWPOVMHMMATPT-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](NC)c1cnc(OCC)s1 2231290094 OMBZIVCMCRRFAG-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE C=CC[C@@H](CNC1CCC1)CC12CCC(CC1)CC2 2231499341 IEKALUYDKAXMPN-UPTPFMHGSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2c(C)cccc21 2231518980 UCMUTVPOJRLRFF-GOSISDBHSA-N 259.437 4.846 30 10 CJEE CCCCCCCCC(=O)CCN(C)CCCCC 2232186374 WQGYKLIYNHCXAG-UHFFFAOYSA-N 269.473 4.818 30 10 CJEE C=CCCCCCCC(=O)c1cc(Cl)cc(C)c1N 2232193352 DNUKIUFKDREPIO-UHFFFAOYSA-N 279.811 4.940 30 10 CJEE C=C(F)C[C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652536 LQLNXEOAHNRBCT-LXTVHRRPSA-N 289.385 4.690 30 10 CJEE C[C@@](C=O)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccccc1 2233698236 SCRNHZZQSPIPPM-FAJBIJEISA-N 270.416 4.750 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(F)c(Cl)c1F 2233782076 LTXWGUXTPWFPOE-ZDUSSCGKSA-N 299.792 4.708 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1ccc2ccccc2c1 2234695136 PKMJLNMCIFGZLX-KXBFYZLASA-N 265.400 4.538 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@H](OC)C1(C)C 2235522719 XKTVWFJIYFEDJC-IKGGRYGDSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)c1cc(C)cs1 2235525305 ZFNCVZKDDIPYRK-DOTOQJQBSA-N 295.492 4.595 30 10 CJEE C=CCCCCCCC[C@H](N)C(C)(C)c1ccncc1 2235533728 VPJAPEAUINGEIR-KRWDZBQOSA-N 274.452 4.603 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1CCCC1(F)F)NN 2235542073 OIXFUBNUVDNROA-CABCVRRESA-N 288.426 4.561 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC[C@H]1C[C@@H]1C)NCC 2236450301 TYJJQINJQKSWCT-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=CCOc1ccc([C@H](O)CC2(C)CC(C)(C)C2)cc1 2236522653 ZTRFGPKQLUHGHE-MRXNPFEDSA-N 274.404 4.501 30 10 CJEE CCCCCCCCOC[C@H]1CC[C@@H]1CNCC(C)C 2237261739 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CCCC[C@@H](CC)CSC[C@H](C#N)C(F)(F)F 2252959322 GWNJFKVBZNZLRX-MNOVXSKESA-N 267.360 4.638 30 10 CJEE CCCCCCC[C@@H](NC)c1csc(C)c1OC 2259130696 IHEDRNMBGDKWBI-CQSZACIVSA-N 269.454 4.686 30 10 CJEE C=CCCCCCCCCNCC[C@@H]1[C@@H](C)[C@H]1C 2260463065 NWZHOROEKXRRJX-FVQHAEBGSA-N 251.458 4.785 30 10 CJEE Cc1cc(Cl)cc(Cl)c1NCc1ccsc1C#N 2263184882 FCEZPWVSVVZWIN-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@@]2(C#N)CCCOC2(C)C)C1 2265036382 DXFJVTQJSKJYIV-HLLBOEOZSA-N 263.425 4.692 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1cc(C)c(C#N)c(C)c1 2265858219 CQVMFCGKHZGSBV-IUODEOHRSA-N 258.409 4.802 30 10 CJEE CCCCCCCCOc1cc(C)c(CO)c(C)c1 2267649209 VJJCKCLLOPIGFU-UHFFFAOYSA-N 264.409 4.535 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(OC)c1Cl 2268073978 DIOQRMFZDQVIPQ-AWEZNQCLSA-N 281.827 4.746 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OC)c1Cl 2268080525 ZVJUIZGLVYPZPO-AWEZNQCLSA-N 283.843 4.970 30 10 CJEE CCCC[C@H](C)CC[C@H](N)CC=CC#CC(C)(C)C 2268819532 CMUSUHAFXADTPH-DLBZAZTESA-N 263.469 4.916 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(OC)ccc2Cl)C1 2268973629 AUBRKHNGJHGRCL-MLGOLLRUSA-N 277.795 4.611 30 10 CJEE C=CCCCCCCCSc1ccncc1[C@@H](C)N 2271485539 ORKKBLGMWUMRFU-CQSZACIVSA-N 278.465 4.720 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1nc(C)sc1C 2271833326 OGTLVXAHQACRFB-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2CC3(CC(C)C3)C2)C1 2272165698 HNRIIHPMVLGKKX-ZZEXBNFBSA-N 262.437 4.988 30 10 CJEE C=C1CC(CNC(C)C)(CC2CC3(CC(C)C3)C2)C1 2272180488 YRHMDKQCOHRHRC-UHFFFAOYSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)C#CC2CCCCC2)CC1 2273992238 GJJRDPZTYQODGS-NXHRZFHOSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C(CC)CC 2276466314 MECGSDYAFCSUJM-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C=C[C@@H](C)C[C@@H](O)c1ccccc1-c1ccccc1 2277436452 HEKHCZKHKXVVNO-RDTXWAMCSA-N 252.357 4.599 30 10 CJEE N#C[C@]1(C2C3CC4CC(C3)CC2C4)CCCC12CC2 2277568550 QYMNVSBNTSZPAI-ZDXCPUMJSA-N 255.405 4.533 30 10 CJEE CC#CCCCC[C@H](N)c1sc(C(F)(F)F)cc1C 2277666122 APCFTTVVFDZNKR-NSHDSACASA-N 289.366 4.659 30 10 CJEE CCCCCCCCC[C@H](C)Nc1cnn(CC)c1 2278232817 FJOUMEUWKZDOIC-HNNXBMFYSA-N 265.445 4.844 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1cnsc1 2278243874 HVDPOGNAWKLUQT-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE Cc1cccc2ccc([C@]3(C#N)CCCC[C@H]3C)nc12 2279721603 BENNLZTXZMELCV-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE CCCCCCCCC[C@H](O)c1ncc2sccc2n1 2280363830 DGFHXSWAEHHYOZ-AWEZNQCLSA-N 292.448 4.865 30 10 CJEE N#C[C@]1(C[C@@H]2CCC23CCC3)CCc2ccccc2C1 2280995773 XJOGNTRVLDOEAK-ZWKOTPCHSA-N 265.400 4.656 30 10 CJEE C=CCCCOc1cc(C)c(CN[C@H](C)CC)c(C)c1 2282939254 AULBMQBGXKKLEL-MRXNPFEDSA-N 275.436 4.537 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2cc(C)ccc2Cl)CC1 2283238182 RKEMSPFPCGRIDM-BLDCVEFLSA-N 291.822 4.792 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(OC)c2Cl)CC1 2283315472 QWGZDIZSUKCAIY-HNNXBMFYSA-N 293.838 4.746 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(CCC)cc1 2283537620 NYULJLIVVUTWAI-VQIMIIECSA-N 273.464 4.762 30 10 CJEE CCCC[C@H](CCC)N=C1N[C@]2(CS1)C[C@H]1CC[C@H]2C1 2283914797 XDPRWUCWLZXXPG-JKQORVJESA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cccc(C(F)F)c1 2284098445 HMLPHAQTKJYBKC-HNNXBMFYSA-N 277.358 4.620 30 10 CJEE CC[C@@H]1CCC[C@@H](CNCC=CC#CC(C)(C)C)CC1 2284182794 ITPAIACTNGXMRG-QZTJIDSGSA-N 275.480 4.788 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC)c2c1CCC2 2284513237 IJUBXPFTPIUDPR-QGZVFWFLSA-N 276.420 4.578 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C(F)(F)F)c(C#N)c1 2286892411 RONFFCIWQYXPOK-GFCCVEGCSA-N 285.309 4.925 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(OC2CC2)c1 2287385453 XVTZDXADMULOQD-GOSISDBHSA-N 273.420 4.625 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@H]1N 2287421577 QADZVDZKIGZIRF-GVDBMIGSSA-N 287.463 4.752 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1cccc(C(C)(C)C)c1 2290196625 XROGRDOYPLWVIE-GOSISDBHSA-N 271.448 4.915 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC2(CCC2)C1 2290898598 ZJMYMCIPRSQZCE-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1sccc1CC 2290911809 UFKJRIZFMLNFEG-AWEZNQCLSA-N 298.448 4.813 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)C(C)(C)C(C)C 2291663460 MIZXWVJLUARGSJ-HNNXBMFYSA-N 284.440 4.665 30 10 CJEE C=CCCCC[C@@]1(OCCC(=O)O)CCC[C@H](C)CC1 2291673698 YSPJDMDYMIADDM-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@H]1CC)OCC(=O)O 2292184036 JPSWYFRKGCSKCA-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@](C)(C#CC(C)(C)C)OCCCN 2292608441 ISFHQTAZCQKOKU-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCCC[C@@](C)(CCC=C(C)C)OCC(=O)O 2292718138 URTDLOQYGCTJKE-KRWDZBQOSA-N 282.424 4.729 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCC12CCC2 2292781602 JGHCCCJWIMCXIC-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC[C@H](C(C)C)C1 2293368319 LOZGALYHUJQDRC-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE Cc1ccccc1C=CC(=O)c1cccc(Cl)c1 2294300142 WROFZEMYEJVFHE-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)[C@H](C)CC(C)(C)C 2295212362 SIAOFXVOAJDTHU-RHSMWYFYSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@@H](C)N1C[C@H](CN)CC1(C)C 2295519283 FCRGOEZLUBAARU-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(CCO)C1(N)CCCC1 2295586800 BHKCMZDQVMJBLR-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE CCCCCCCCC[C@H](C)NCCC[C@H]1CCOC1 2295676809 OPSVHDQRNWMNTM-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCCOCC1 2295691905 QMSLMEWXYKGJTI-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCC[C@H](CC)C[S@](=O)[C@H](CC#N)c1ccccc1 2295711585 PMNMMQVKUYPTIK-VPWXQRGCSA-N 291.460 4.606 30 10 CJEE COc1ccc2c(c1)CCC(=Cc1cccc(Cl)c1)C2=O 2297333890 CNLYTCNSPHGFOV-UHFFFAOYSA-N 298.769 4.561 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cscc1C(F)F 2304086992 WPHRCAKKQUKMSE-ZDUSSCGKSA-N 258.333 4.861 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]1C(F)F 2308742759 QGDGMEKRPQCRPA-HZSPNIEDSA-N 262.384 4.779 30 10 CJEE C=CCC(CC=C)SC[C@H](C#N)c1ccccc1 2313658968 KGZFSRQZWIMQTO-HNNXBMFYSA-N 257.402 4.548 30 10 CJEE C=C([C@H](NCCC)[C@](C)(CC)C(F)F)C(C)(C)C 2315004060 RUYIEAOZLVFOHT-WFASDCNBSA-N 261.400 4.638 30 10 CJEE C=CCC(CC=C)Nc1ccc2nc(C)sc2c1 2316735165 ZWNLWFBMRBHVHT-UHFFFAOYSA-N 258.390 4.537 30 10 CJEE C=C[C@H](C)C[C@H](CC1CCCCCC1)NCCC 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C=CC[C@@H](CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334486465 AZNVGCGAAPRDJV-LJISPDSOSA-N 273.411 4.638 30 10 CJEE C=CC[C@@H](C)OC(=O)CCCSc1ccc(Cl)cc1 2335110558 LMZLVWVJJPYRAH-GFCCVEGCSA-N 298.835 4.720 30 10 CJEE N#CC(CC1CC1)(CC1CC1)Nc1cccc(Cl)c1 2337089901 FWZYSQRWEODEEL-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCCC12CCCC2 2339904452 HFAYIYRRPYTBRO-QGZVFWFLSA-N 253.389 4.583 30 10 CJEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCC1=O 2341195721 IUHMOVPFZKRZLT-HNNXBMFYSA-N 296.197 4.579 30 10 CJEE C=C1C[C@@H]1[C@@H](CC[C@@H]1CCCCC12CC2)NCCC 2341884611 LBHODJZGVXRBHA-YESZJQIVSA-N 261.453 4.681 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC=Cc1ccccc1 2352088237 HYKSDPPOOPUXKB-KRWDZBQOSA-N 278.461 4.699 30 10 CJEE C=C([C@H](O)C1CCC(CC(F)(F)F)CC1)[Si](C)(C)C 2353609692 CVEUPNMIXGYUHW-BPCQOVAHSA-N 294.433 4.540 30 10 CJEE CSc1cc(NC[C@@H]2CCC[C@H](C)C2)ccc1C#N 2353830785 OMZDEFUFONQNTR-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccc(F)cc1 2360200757 JHBRMNVWKKEGIO-KRWDZBQOSA-N 293.451 4.730 30 10 CJEE CCN([C@H](C)CC1CCC1)[C@H](C)c1ccc(C#N)cc1 2360335303 ZWDDOYJOZSWHMC-HUUCEWRRSA-N 270.420 4.520 30 10 CJEE Cc1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 4925880 AQSSDFDFBZJXNC-XMHGGMMESA-N 276.339 4.760 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1 21017305 QZVCCOOHXNFOJP-JLSDUUJJSA-N 271.404 4.536 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccccc2C(F)(F)F)c1 21520411 YBNOATAEJRIUIV-LBPRGKRZSA-N 289.300 4.860 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1cc(C#N)ccc1F 36854511 UGXMKRBWIIUSCC-MZMPZRCHSA-N 289.394 4.675 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCc2ccccc21 37937362 WPXDFLFEBPSGHK-QGZVFWFLSA-N 282.774 4.507 30 10 CJEE Cc1ccc(C)c(OCC[C@@](C)(C#N)c2ccccc2)c1 57687620 IQYLHFSVWPFPGL-IBGZPJMESA-N 279.383 4.554 30 10 CJEE CCOc1ccc([C@H](C#N)CCCOc2ccccc2)cc1 57690214 DFTYFRWREUTUGZ-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE CCCCCCCCN(CCC(N)=S)c1ccccc1 59089313 KDRDGUAAXWDVTN-UHFFFAOYSA-N 292.492 4.530 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(CCOC)cc1 59290774 MJQFTWIWKYTDDY-IBGZPJMESA-N 291.479 4.887 30 10 CJEE C[C@@H](CC#N)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 68611241 KZDJFGQLLUEIRD-KBPBESRZSA-N 298.361 4.571 30 10 CJEE CC[C@H](C)Oc1cccc(-c2cc(C#N)c(C)s2)c1 77094534 YTUUJSKKNIJTCF-NSHDSACASA-N 271.385 4.773 30 10 CJEE N#CC1(SC2CCCC2)CC(c2ccccc2)C1 87142476 DGXSJCNNSXORJN-UHFFFAOYSA-N 257.402 4.502 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)ccc1C#N 88513395 TWICPBNZWVZNKE-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE C=CCCn1ccc2c(OCc3ccccc3)cccc21 96778084 LXMCBAMBVHNYDB-UHFFFAOYSA-N 277.367 4.796 30 10 CJEE O=C(/C=C\c1ccccc1O)c1ccc(Cl)c(Cl)c1 103043788 IBOBRMSYRBEIPM-VURMDHGXSA-N 293.149 4.595 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)ccc1C 103939674 ODVAQBCPBPSQMG-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CCCCCCCCCNc1cccc(C(=O)O)c1 104425522 QAWBBYHRJQQZFJ-UHFFFAOYSA-N 263.381 4.547 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C#N)cc1 105715175 PGRKBGNUKABRLP-UHFFFAOYSA-N 272.392 4.637 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCC 110081616 SSUWPRRORLKMII-OKZBNKHCSA-N 283.500 4.776 30 10 CJEE C=CCNCCOc1ccc(Cl)cc1C1CCCCC1 110243630 FNIVFAVQIOGSBI-UHFFFAOYSA-N 293.838 4.542 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc(C(F)(F)F)c2)c1 110261495 SBGXAFVLMGSMCG-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1Nc1ccc(Cl)c(C#N)c1 112939278 IDKFCGFZJJSUCH-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 113047575 VJWXYEMGXKJZQB-NHYWBVRUSA-N 296.336 4.958 30 10 CJEE CCCCCCCC[C@@H](NCCC)C(C)(C)OC 118444653 BIVJHCHROKRQQA-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](CNCC)c1cccc(F)c1 118658864 IUADNGJDFBVOMJ-MRXNPFEDSA-N 265.416 4.879 30 10 CJEE C#CCCC[C@H](C[C@@H](C)CC(C)(C)C)NCCC 122945937 MFNJIRJTBOQFQV-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](CC)OCC 125485340 LYVJJDHHLJPIMX-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](CC)OCC 125541099 OVMAKZKTTDURBC-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(C)c1 125587676 RSPXZFSLLKPYFW-KRWDZBQOSA-N 262.441 4.640 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1cccs1 125700304 VXEFHWHYJAWOJD-GFCCVEGCSA-N 276.792 4.836 30 10 CJEE C=CCC[C@H](NCC)c1c(Cl)cccc1Cl 128956515 HMPDFXHOGTUSHJ-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](OC)C1CC1 129319026 VINALVRHSDNWPM-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](OC)C1CC1 129529248 MOFXXOYHEOXUGL-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CC#CC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 130880047 QTEPFBLTAAOASD-RWSSSABPSA-N 287.491 4.765 30 10 CJEE C=C[C@@H](C)Oc1ccc(Br)cc1C(C)C 136463842 WIBMKAZOCKRWCE-SNVBAGLBSA-N 269.182 4.526 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC(C)(C)C[C@@H]2C)c1 156058005 GVSLQTOXLNCAIJ-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)c(F)c2)CCCCCCC1 156811547 BIQZIMOKOHDNOV-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(Cl)cnn1CC 158802396 UKUHKVIZLILTMH-CQSZACIVSA-N 286.847 4.731 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1ccc(F)cc1 159021480 CMKSNKNVVTWLRB-QGZVFWFLSA-N 265.416 4.836 30 10 CJEE CCCCCCCCCCCC[C@H]1CC[C@@H](C(=O)O)N1 160237408 VYBQTIAWSAGHJE-HOTGVXAUSA-N 283.456 4.503 30 10 CJEE CCCCCCCCC[C@H](CCCC(C)C)NN 160622960 RDHHALKWPZNKQW-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CO[C@@H](C)C1 162365341 VIQGQSJKTWCNGY-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCNc1ccc(C(=O)O)c(N)c1 164210346 XUCNECXRWUWTOM-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE CCCCCCCCCCCC(=O)Cc1nccn1CC 168255795 CDDPSKGRYYNNKE-UHFFFAOYSA-N 292.467 4.936 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)CC(=C)C 184956507 CINNEUCYOFILHR-LBPRGKRZSA-N 297.851 4.518 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCCC[C@@H]2C(C)(C)C)C1 218207110 IIXSACUSTYPJSN-XYVMCAHJSA-N 277.452 4.674 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCC2(C)C)C1 222808739 IPDZWNVNTLDCHX-XHSDSOJGSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCCNCCC[C@H](C)O 227715587 IEHQGLBYCORYPG-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(C)cc(Cl)c1 229736437 XRKFCYFSAMWXNF-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=C(C)[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC 229751065 UZKIGZUAZRIEIR-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CC(C)CCCCCCNc1cc(F)cc(C#N)c1 232541531 KXTUFSAMIGVSMN-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CCO[C@@H]1CC 232962029 DGEJQAMWTHHMKN-YESZJQIVSA-N 269.473 4.660 30 10 CJEE Cc1ccc(C(C)(C)C)cc1C(F)(F)CCC#N 259020758 PTTHKKHWWJOHMC-UHFFFAOYSA-N 251.320 4.688 30 10 CJEE CC1CCC(c2ccccc2C2(C#N)CCC2)CC1 260621894 MHFPQNPCDLPZCU-UHFFFAOYSA-N 253.389 4.926 30 10 CJEE C[C@H](C#N)CC1CCC(C[C@H](F)C(F)(F)F)CC1 261129858 LGKVQYAVFMCHBG-XKGSQUFQSA-N 265.294 4.633 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)(F)F 294898894 MJGMMOCWMJGUDO-GFCCVEGCSA-N 295.373 4.768 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2Cl)C1 300089107 RWHOAWRAQXLCCU-TYNCELHUSA-N 279.836 4.902 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(C)c1 308056321 PJSSWIORPPTDPI-SJORKVTESA-N 271.404 4.634 30 10 CJEE Cc1cc(C#N)cc(NCCCC2CCCCC2)c1 308158806 VLYZIJPSDFSZOL-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H](CNC(C)C)O1 312084297 VPPFOEDPPSQFKV-SJORKVTESA-N 269.473 4.673 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2nc3ccccc3cc2C)C1 312249029 IRDMJSFNMGKZCL-KSSFIOAISA-N 264.372 4.515 30 10 CJEE C=CCCCCCCNC[C@H]1CCC2(CCCCC2)O1 312366405 BZMQCJLYNZSJHL-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE CCC1CCC(C#N)(c2cc(Cl)ccc2[N+](=O)[O-])CC1 312419786 KGSHDNCTMSNTQJ-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccc3ccccc3n2)C1 312518551 BGPSLFYUEZXMTI-RDTXWAMCSA-N 264.372 4.596 30 10 CJEE C=C(C(=O)C1(c2ccccc2)CCCCC1)C(F)(F)F 312866828 SAEXLGSMVAEMDM-UHFFFAOYSA-N 282.305 4.576 30 10 CJEE Cc1nc(O[C@H]2C[C@H](C)CC(C)(C)C2)c(Cl)cc1C#N 313037470 FPZXQBAXZURQJC-GWCFXTLKSA-N 292.810 4.509 30 10 CJEE N#C[C@@H](Sc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 380624076 BLHKPAAUGDEKCC-UUIJZJDISA-N 277.820 4.760 30 10 CJEE CCCCCCCCC[C@H](N)c1cnccc1OCC 380759511 DCZTYVWNHHPPSS-INIZCTEOSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCC(=O)CCC1CCOCC1 382129585 IUOAFAWLORTVHH-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE O=CC1(c2cccc(OCc3ccccc3)c2)CCCCC1 383416279 LDJHFDFEOCZFFL-UHFFFAOYSA-N 294.394 4.666 30 10 CJEE C[C@H](CC(C)(C)C)N(C)CC1(CS)CCCCC1 384499264 OSPUVCFTTMVQKS-CQSZACIVSA-N 271.514 4.623 30 10 CJEE C=CCC[C@H](NCCC)c1ccc2sccc2c1 386647988 PQGCZWXXVSVNDT-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=C([C@H](NCC)C1(CC(C)C)CCCC1)C(F)(F)F 388253839 IXNUGQNGKROTIE-ZDUSSCGKSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCCNCC(C)(C)C[C@@H](C)O 393600476 QIFOTDULJHMISR-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 398170695 LHEYGZUKHXACMX-BLLLJJGKSA-N 263.812 4.662 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CO[C@H](C)C1 401852255 XLANKCSMQHGSJW-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C#N)C[C@H]2CC[C@H]1C2 402272930 GXKRKZGAHGYQKX-ZDEQEGDKSA-N 259.315 4.685 30 10 CJEE CC(C)Cc1ccc(C(=O)/C=C\c2ccccc2)cc1 642882786 MUGLENHCLBZDSU-RAXLEYEMSA-N 264.368 4.781 30 10 CJEE C#CCCCCC[C@@H](C[C@H](C)C(F)(F)F)NCCC 686690782 BBVYCZWRBLJCRP-KBPBESRZSA-N 277.374 4.527 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2cscc2s1 694416620 GVNYJBFDWXXDJJ-NSHDSACASA-N 251.420 4.580 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@@H]1CCCC[C@H]1C1CC1 695874940 YBQMHHCWWOMQMJ-DOTOQJQBSA-N 288.822 4.617 30 10 CJEE C=CCCSCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 696045082 PYPOKBUZLARHOM-HZPDHXFCSA-N 283.525 4.880 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H]2CCCC[C@]2(C)O)CC1 699325872 ZMVFDRBQFNVZBD-FYRJDAGRSA-N 277.452 4.674 30 10 CJEE C=CCC[C@H](C)NCC1CC(C)(C)CC(C)(C)C1 699530560 FLNAZHWMZYJCGL-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)c(Cl)cc1N 704012367 XNPWFICNGOFYNZ-UHFFFAOYSA-N 287.234 4.980 30 10 CJEE SCCCCCCCCCN1C[C@@H]2CCCC[C@@H]21 706797781 UHUTYDMVQXKWOK-HOTGVXAUSA-N 269.498 4.521 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)[C@H](C)CC(C)(C)C)cc1C 709114893 ZXBVRMXCROJAIO-GDBMZVCRSA-N 271.404 4.552 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CC12CCOCC2 709683803 WOADZULCERZANM-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE C=C(Cl)C[C@@H](Cc1cccc(Cl)c1F)NCCC 710586495 ZKFGEGHGEXSTKU-LBPRGKRZSA-N 290.209 4.532 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)[C@H]1CCCCO1 711990772 BHFQSCNNFJCKIZ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2CCCC[C@@H]21 712528399 UBBZVXZDVNMECC-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 715723483 SGHWJWVBWYBNCR-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1c(F)cccc1Cl 715771080 RUCPXWXNKBGITO-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE C=C[C@@H](C)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716026411 NZEAFJSQJINUEG-SSDOTTSWSA-N 283.215 4.711 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@@H](C)c2cc(C)sc2C)N1 716906216 BQVFPIRHKXGXBB-XHVZSJERSA-N 296.505 4.676 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cc(C)co1 718446394 VHRIGJSRUMQWSM-HNNXBMFYSA-N 266.429 4.623 30 10 CJEE C=C1CCC(CN[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 724440850 LBMBJSVKMZRAHS-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE Cc1ncccc1/C=C\C(=O)c1cc(Cl)cc(Cl)c1 755705257 OGHKEGPAWNYYKL-PLNGDYQASA-N 292.165 4.593 30 10 CJEE CCSc1ccc(/C(CC)=N/OCC(C)C)cc1 821225946 BHGBFFABAKWQGA-FOCLMDBBSA-N 265.422 4.585 30 10 CJEE Cc1ccccc1C=Nc1cc2ccccc2cc1O 1088706618 FMJNAVHGNRJUHC-UHFFFAOYSA-N 261.324 4.604 30 10 CJEE C=CC[C@H](C(=O)NCC1(C)CCCCCC1)c1ccccc1 1127484927 GNIVEMXNLHKULS-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1scc(C)c1Cl 1130905075 VAIZYDFKAUVUTE-VXGBXAGGSA-N 297.851 4.575 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C/C1CCC(C)CC1 1131385205 TUPUCDPACMYLBS-FYWRMAATSA-N 277.452 4.620 30 10 CJEE C=C(Cl)CN1CCCC[C@H]1c1ccc(Cl)cc1 1170291028 QZXLZOVFFONRHQ-AWEZNQCLSA-N 270.203 4.620 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(OCCC)cc1C 1178304467 IMYLPCBKQFSKND-INIZCTEOSA-N 275.436 4.618 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(C(C)(C)C)s2)C1 1179519764 AHTSNKYXKUTWAC-KBPBESRZSA-N 277.477 4.880 30 10 CJEE C=CCCCCCN(C)Cc1ccc(C(C)(C)C#N)cc1 1180199347 QRJOFKIPZXQIAA-UHFFFAOYSA-N 284.447 4.666 30 10 CJEE C=CCC[C@@H](CCC)NCCc1ccc(C)c(C)c1 1206605329 OAPPJKUBSRJHDG-GOSISDBHSA-N 259.437 4.570 30 10 CJEE C=CC(C)(C)CCCNC1CC(c2ccc(F)cc2F)C1 1207447960 HPHSSJUKPQYFGL-UHFFFAOYSA-N 293.401 4.793 30 10 CJEE C=CCCCCCCCNC(=O)N1CC[C@@H](C)C[C@@H](C)C1 1251703773 UDTSXHRFOISEEM-IAGOWNOFSA-N 294.483 4.591 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCCC(C)(C)C2)CCCCC1 1269389354 NXNGFZFWSSMCGN-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](C)c1ccc(Cl)cc1 1275291074 AXELFXVTVOANNA-RYUDHWBXSA-N 266.768 4.547 30 10 CJEE C#CCCCCCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 1307502000 VKDGVETYHGIEIU-AZUAARDMSA-N 283.459 4.696 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)cc1SC 1310884019 DQOVMBURZNNEMZ-CYBMUJFWSA-N 292.448 4.583 30 10 CJEE C=CC1(CC(=O)N(CCC)Cc2ccccc2)CCCCC1 1350678598 KRJCJFXHZGKHIL-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C=CC1(CC(=O)N2CCCc3ccc(C)cc32)CCCCC1 1353304332 NEVABFHCMYDZJA-UHFFFAOYSA-N 297.442 4.801 30 10 CJEE C#Cc1cccc(N(C)CCCc2cccc3ccccc23)c1 1459448351 DTWDMFDZRWHWAA-UHFFFAOYSA-N 299.417 4.890 30 10 CJEE C#CCCCCCCN1CCC[C@H]1Cc1ccccc1C 1459508469 AQXLHKAOZXOZGW-FQEVSTJZSA-N 283.459 4.586 30 10 CJEE CCCCCCCCCN[C@H](C)c1cnccc1C 1459939599 YETTYOQBCZOQJS-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE C=CCCCCN1CCC[C@]1(CC)Cc1ccccc1 1460412738 WIJUGKQEIXQDMP-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CCCCC[C@H](C)NCc1csc(C)c1C 1462504650 HFNMTMCOLJZGOL-LBPRGKRZSA-N 251.439 4.589 30 10 CJEE C#CC[C@H]1CCN(C(=O)/C=C/CCCCCCCCC)C1 1470488126 HOQQHLIPJLPZGR-SZEUEKNRSA-N 289.463 4.555 30 10 CJEE C=CCCCCNCc1cc(C(F)(F)F)ccc1Cl 1474122000 RJLBMGWAXOSSPO-UHFFFAOYSA-N 291.744 4.805 30 10 CJEE C=C1CCC(CNCc2ccc3cc(OC)ccc3c2)CC1 1474260285 RIXFTFPBNDYSHC-UHFFFAOYSA-N 295.426 4.684 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc2c(OC)nccc2c1 1474533760 BWJATWBKTBCLSW-CQSZACIVSA-N 284.403 4.790 30 10 CJEE C=CC(C)(C)CCNC(=O)N1CCCC1(CCC)CCC 1479031547 ODQVNIBHBZOMGL-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2F)CCCC1 1522283317 MYHZVLARDABQTM-UHFFFAOYSA-N 281.758 4.554 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(C)c(Cl)c1F 1530310152 YBUFVZAGQWOXRG-UHFFFAOYSA-N 297.801 4.606 30 10 CJEE C=CCCC(C)(C)NC(=O)CC(C)(C)C1CCCCC1 1533390633 FQDXUYWMUNVVBH-UHFFFAOYSA-N 279.468 4.844 30 10 CJEE C=CCCc1ccccc1NC(=O)C(CCC)CCC 1538139963 VJAOCRIOTXBIHF-UHFFFAOYSA-N 273.420 4.960 30 10 CJEE C=CCCCCCCCNc1cc(C)cc(F)c1C#N 1559206032 OFHBJUGFQOCUOL-UHFFFAOYSA-N 274.383 4.944 30 10 CJEE C=CC(C)(C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] 1559272999 VBGKMZULKNNCHA-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE C=CCN(CCc1ccccc1CC)Cc1ccccc1F 1559495518 IUQKQNXNELEPFL-UHFFFAOYSA-N 297.417 4.619 30 10 CJEE C#CCN(CC1CCC(C)(C)CC1)[C@H]1CCc2ccccc21 1559499537 WSOCFYOAHQQCRZ-FQEVSTJZSA-N 295.470 4.826 30 10 CJEE C=C(C)c1cccc(NC/C=C/c2ccccc2OC)c1 1560611905 PICPFLQIPKQNST-JXMROGBWSA-N 279.383 4.854 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2O)CCCCC1 1567234319 GAWGPSAVCSIKJC-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C#CCCCCCCN1c2ccccc2CC[C@H]1CC 1616208592 QMKMQNKSSOZENP-GOSISDBHSA-N 269.432 4.802 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H](C)C(C)(C)C)c1ccccc1 1616540760 YBDQPBBVLARXCY-RDJZCZTQSA-N 287.447 4.535 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C=C)c2ccccc2)CCCC1 1629246555 AHBIJYHUOGBBNJ-SFHVURJKSA-N 297.442 4.599 30 10 CJEE C=CCCCCNc1nc2c(F)cc(Cl)cc2s1 1642609748 BNPVBOTVSIKNFY-UHFFFAOYSA-N 284.787 4.857 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCC2(CCC2)O1 1642967258 JOWZYYCQBCNWOK-IBGZPJMESA-N 299.458 4.557 30 10 CJEE C=CCn1c(SC[C@H](C)CC(C)(C)C)nnc1C1CC1 1643487066 KGCCFESHSUZTOI-GFCCVEGCSA-N 293.480 4.506 30 10 CJEE CC1(C)CC(CSc2cccc(Cl)c2C#N)C1 1643815890 IKYQMDCZWPWHEM-UHFFFAOYSA-N 265.809 4.740 30 10 CJEE C=CC[C@@H](NCC1CCC(C)(C)CC1)c1ccncc1 1649805226 AYRLCCQUPOQXSI-QGZVFWFLSA-N 272.436 4.505 30 10 CJEE C=CCC[C@H](NCc1cnc(CC)s1)c1ccccc1 1650808125 WIMWFVVOOSWODH-INIZCTEOSA-N 286.444 4.503 30 10 CJEE C=CCCc1ccccc1NCc1cccc2ncccc12 1650992794 UAXBIIJMIKCMOW-UHFFFAOYSA-N 288.394 4.966 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncnc2sc(C)cc12 1651237758 YQJYZLWBTKZATK-JSGCOSHPSA-N 287.432 4.547 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)CCC2CCCC2)cc1 1652443126 ATTFQBBXMCQEKU-INIZCTEOSA-N 287.447 4.700 30 10 CJEE C=CCCCCN1CCc2oc(-c3ccccc3)cc2C1 1654980805 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C=CCCCCCCC[C@H](O)c1c(C)cccc1OC 2235533498 UKCOGFLDZXUIOA-INIZCTEOSA-N 276.420 4.954 30 10 CJEE CCCCCCC[C@H](NCC)c1cnn(C2CC2)c1C 2236655168 UABYZIFXPFTHGJ-KRWDZBQOSA-N 277.456 4.538 30 10 CJEE Cc1cc([C@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])cc1Cl 2236878847 GIUGHELHSFKDER-ZUZCIYMTSA-N 292.766 4.528 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(CC#N)cc2)c1 2238015222 KKURBMMNXAKPTA-CYBMUJFWSA-N 284.790 4.888 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 2238165021 DRHYUOOGRWVHAZ-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCO[C@@H]1[C@H](N)CC(C)(C)C1(C)C 2239448393 IBDQRYSHFOSMSO-HZPDHXFCSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCCOC[C@@H](N)C1CC(C)(C)C1 2239488907 DLWIRRJRZKWAJR-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCC[C@H]1CCC 2239503857 MQIKGFKYUATZPU-INMHGKMJSA-N 282.424 4.562 30 10 CJEE C=C[C@H](CCCCC)OCCC(C)(C)CNC1CCC1 2239504288 YUNYGKNMIPKCEJ-QGZVFWFLSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@H](C#Cc1ccc(CC)cc1)NC 2239645121 DDPIUGIHDYYBEC-LJQANCHMSA-N 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4.749 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(C)s1)[C@@H](C)N 2313529596 RATRBLOROAMQER-DOMZBBRYSA-N 281.490 4.699 30 10 CJEE C=CCC(CC=C)N[C@@H]1C[C@H](C)Sc2sccc21 2313645627 RGYVTMXOKNEFFP-SMDDNHRTSA-N 279.474 4.784 30 10 CJEE C=CCC(CC=C)C(=O)c1cscc1C(F)(F)F 2316744400 NUERMQGDCAPJJO-UHFFFAOYSA-N 274.307 4.718 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329817574 PMRXNHWGFNVVSM-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330341302 PGSLTZCWSJTKMZ-ATIWLJMLSA-N 263.469 4.891 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NC 2333472418 SIOGXHHCZRBDHD-MELADBBJSA-N 279.390 4.914 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2 2334756120 JKPCQSDKGYDXOB-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)SCCCC(=O)c1ccccc1 2335240404 BNRQIIOIWROILF-UHFFFAOYSA-N 274.429 4.904 30 10 CJEE C[C@@H](CCS)CCOc1cc(F)cc(C(F)(F)F)c1 2335691568 CIKVLZUUJBLXFP-SECBINFHSA-N 296.329 4.569 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]2CCCC[C@@H]21 2337079913 ZPBXFQZJHUEECH-DFBDCSAJSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2337110562 BXMQURPDIFEOLW-FLXSYLCISA-N 263.469 4.782 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cccc(C(F)F)c1 2338742234 UMXJKYKLGAACOE-OAHLLOKOSA-N 265.347 4.653 30 10 CJEE C=CCC(CC=C)C[C@@H](NCC)c1cccc(C)c1 2338743917 JZFOUARYFWLQOM-GOSISDBHSA-N 257.421 4.804 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1(CC2CC2)CCC1 2338746356 FVAUOPULGIAGIY-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)O)c(C)c1C 2340855607 LCLIDGBFXXSECM-AWEZNQCLSA-N 276.445 4.970 30 10 CJEE C=CCCC[C@@H](O)[C@@H](c1ccccc1)C1CCCC1 2342360144 LEQXOHUSHBTNBY-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC#C[Si](C)(C)C)NCCC 2344370564 CQJPYJPFVSOIPW-SJORKVTESA-N 279.544 4.618 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)C1CC2(CCC2)C1 2344380391 ZPKUVHJONLGINH-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C(C)(F)F)CC1)NCC 2344386720 YLIHZGZEDCVAGX-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C=C[C@H](C)CC(=O)CC1CCC(CC(F)(F)F)CC1 2353163420 AGARPAAJPKICFN-HIFPTAJRSA-N 276.342 4.917 30 10 CJEE CCCCN(C[C@H](CS)CC(C)C)c1ccccc1 2353850805 XJOKLNFEMVFOLA-MRXNPFEDSA-N 279.493 4.885 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136513 GVGYMOSDWYDROJ-KYHPRHEASA-N 275.436 4.692 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C[C@@H]2CCCC[C@@H]21 2360131373 KCPNHLHCRGLULO-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccc(C#N)c(F)c1 2360306220 ORIMLUXBQCEBHL-UHFFFAOYSA-N 277.383 4.675 30 10 CJEE CS/C(=N\C#N)Sc1ccccc1Cc1ccccc1 15444434 HNOHVDCKDWGKAE-FBMGVBCBSA-N 298.436 4.570 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 19922167 VHFALBMPPDZXHI-NSHDSACASA-N 290.288 4.750 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(C#N)c1 20566368 GFEXIPIXRKJGPU-HOTGVXAUSA-N 256.393 4.575 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 37253352 RCNOUWLMPNUVCT-LLVKDONJSA-N 262.784 4.592 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F 37393236 HTMGREKKRSNAEH-VIFPVBQESA-N 292.716 4.663 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H](c1ccccc1)C1CC1 41075471 PTQKDVBPJOFJTP-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE N#C[C@H](CCOc1cccc2ccccc12)c1ccccc1 57684406 YPWPHYMGHXWYDT-SFHVURJKSA-N 287.362 4.916 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1cc(C)ccc1OC 59211534 RWVFGZSTKUWAOA-INIZCTEOSA-N 287.403 4.540 30 10 CJEE Cc1ccc(/C=N/c2ccc(Br)c(Cl)c2)o1 59456947 VNDQSRJVEUMLOS-VIZOYTHASA-N 298.567 4.755 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)cc1C(=O)OC 59469272 ZOCKVBOZNIAWSL-CYBMUJFWSA-N 295.398 4.773 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)c3ccccc3n2)s1 68770274 AWTJOILSHMWHFE-GFCCVEGCSA-N 293.395 4.650 30 10 CJEE CCCc1nc(Cc2cccc(Cl)c2)sc1CS 82427194 JMBWPBIUSAUWCL-UHFFFAOYSA-N 297.876 4.770 30 10 CJEE Cc1cccc(SC[C@@H](CS)c2ccccc2)c1 94589600 MEFJODXUEGUKNN-OAHLLOKOSA-N 274.454 4.801 30 10 CJEE C=CCC[C@H](Cc1cccc2ccccc12)NCCC 97220622 GURBQRGOVHFKQR-GOSISDBHSA-N 267.416 4.717 30 10 CJEE CCC#CC[C@@H](C)c1ccc(C(F)(F)F)cc1OC 107476512 KINMYCMVDGQBRF-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CCCCCCCCO[C@H](CNC)c1ccc(Cl)cc1 110070414 VYQDWGMWFSSAOG-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCCCCCCOC[C@H](NC)c1cc2ccccc2o1 110081539 BBTAEVXMAUFUHL-INIZCTEOSA-N 289.419 4.680 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(C)o1 110226900 SUFKBHMUVRPXMT-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE Cc1ccc(C)c(Oc2ccc(Cl)cc2C#N)c1C 110262287 BCQCFEZWTVEQPX-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCC[C@H](NC)C(C)(C)c1ccccc1 112899454 WNKJNHLNCPQUOR-KRWDZBQOSA-N 261.453 4.913 30 10 CJEE CCCCCCCCCCNCc1cnc(C)s1 113011990 CJUMQLSMJVIFKJ-UHFFFAOYSA-N 268.470 4.682 30 10 CJEE CCCCCCCCc1nc2cc(F)c(F)cc2[nH]1 115063959 VWCCLVKSCHFKDH-UHFFFAOYSA-N 266.335 4.744 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](C)c1ccncc1 117683859 SQEHTNPVLPGSHL-NVXWUHKLSA-N 262.441 4.524 30 10 CJEE CCCCCCCCCCCCNCC1(N(C)C)CCC1 122223909 WYXNVFXPNHOGSP-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE CCSc1cccc(N[C@@H](C)C(C)(C)C)c1C#N 122781188 GIRLTPMLWPTQSP-NSHDSACASA-N 262.422 4.517 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(OC(F)(F)F)cc1 125805398 LYOVDYBJCMSUPT-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](C)OC 129154444 MBLFANNLJFNUBZ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCO[C@H]1C1CC1 131392143 SWWISZBQERUUBA-RBUKOAKNSA-N 295.511 4.922 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Br)ccc1Cl 131997490 HQKAMKIRFGSSNA-SECBINFHSA-N 288.616 4.869 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H](C)COC 135634527 MPQOLJVVNXRYEI-OAHLLOKOSA-N 256.430 4.759 30 10 CJEE C=C(C)COc1ccc(Br)cc1C(C)C 136459411 AMFQKCOPWPCFJL-UHFFFAOYSA-N 269.182 4.527 30 10 CJEE CCCCCCCC[C@H](NCCC)c1c(C)nn(C)c1C 140346606 NKPZIXSFLQBIQA-KRWDZBQOSA-N 293.499 4.828 30 10 CJEE CCCCCCCOc1ccc(F)c(Br)c1 149059310 CMUQFUOHTPYLQR-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)C(=O)CC2 149074511 MFERIWXHSXQQLC-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)cc2)c2ccccc21 163678422 PEWNFFHAVKUZMH-UGSOOPFHSA-N 262.356 4.609 30 10 CJEE CCc1ccc(Oc2ccc(C(F)(F)F)c(C#N)c2)cc1 164493269 BISDEFSXKQXHIT-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H](OCC)C1CCCCC1 164783413 PPLSABYYJRCWRV-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cccc(F)c2Cl)C1 166803494 KIKZTNHJCYTWOZ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE Cc1c(/C=N/Nc2ccc(Cl)cc2)c2ccccc2n1C 169878935 FLZMKQPPVSSABC-YBFXNURJSA-N 297.789 4.586 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](N)c2ccc(F)cc2O1 229138111 UATJVMAYKCYDIL-NVXWUHKLSA-N 279.399 4.727 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(Br)cc1C 229752912 HDZZCCCCKCKYBH-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(Cl)ccc1OC 229757494 VNHOMOHRHUWWKA-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CCCCCCC[C@H](O)Cc1cc(Cl)ccc1F 231112668 VERWXHKQKKSSIQ-AWEZNQCLSA-N 272.791 4.743 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1csc(Cl)c1 235530832 WZPZAVMGUSHQMA-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE Cc1ccc(CC2=CC(=O)CC(C)(C)C2)c(Cl)c1 235910351 ZISCKNWWZHSURI-UHFFFAOYSA-N 262.780 4.506 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc2ccccc2c1 236316557 QBNUAJHZSIPBQF-GOSISDBHSA-N 253.389 4.976 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 253161889 LYLDMHCNKVKSDK-BBWFWOEESA-N 279.468 4.617 30 10 CJEE CC(C)n1c([C@H](C)C#N)cc2cccc(C(F)(F)F)c21 260276220 LMQUPOJDLDXYIT-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE Cc1cc(CC(C)(C)C#N)cc(C)c1OCc1ccccc1 260529167 CMSOJXBNYJFVDU-UHFFFAOYSA-N 293.410 4.975 30 10 CJEE C=CCCCCC[C@H](NCCC)C1[C@@H]2CCCC[C@@H]12 300255607 BJUNPBBNSQQUOX-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2cc(Cl)ccc2Cl)O1 311151711 NHOZZVRMBYCWFL-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2ccc3ccccc3c2)O1 312319699 GDUBCTHELHQZAP-QZTJIDSGSA-N 265.356 4.538 30 10 CJEE CC1CCC(C=O)(C[C@@H](C)C2CCCCC2)CC1 317170980 ONXIQSUZHGWECV-ISXOHVOVSA-N 250.426 4.988 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[Si](C)(C)C)CC1 317249525 DCLQAVMYIWMHBS-UHFFFAOYSA-N 254.490 4.746 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(F)ccc1Cl 383399388 XCRFREOKCWMFIU-INIZCTEOSA-N 295.829 4.959 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)ccc(F)c1OC 383638509 KRBSSVIWHXXUHV-AWEZNQCLSA-N 286.362 4.757 30 10 CJEE CC(C)(C)OC(=O)/N=C/c1ccc(-c2ccccc2)cc1 390717546 LNPWPPHHHDIVGR-CPNJWEJPSA-N 281.355 4.708 30 10 CJEE C[C@@]1(c2cc(Cl)ccc2Cl)CCC[C@@H](CC#N)O1 394078237 FQOOSYAPQOQBQS-FZMZJTMJSA-N 284.186 4.691 30 10 CJEE N#Cc1cccnc1Nc1cc(Cl)c(Cl)c(Cl)c1 404253092 KJCHWPZFJKCSGD-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](CC(C)C)c1cccs1 467815052 GPUWEGHEMQHUSM-OAHLLOKOSA-N 291.460 4.720 30 10 CJEE C=C(C)C[C@@H](C)c1nc(Cc2ccc(F)cc2Cl)no1 574603389 IIVCLSBEUWKABL-SNVBAGLBSA-N 294.757 4.523 30 10 CJEE Fc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 575381420 SQVKBDAUWOYRQV-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc(C(F)F)c1F 625759225 YQCUYYKTVLKCOA-UHFFFAOYSA-N 299.336 4.582 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 686693676 QCZXFQAOYDBYIK-FGTMMUONSA-N 277.496 4.868 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(C)c(C(F)(F)F)c1 693398293 KAULFQJTTFNXHO-CQSZACIVSA-N 271.326 4.631 30 10 CJEE CCN[C@H](C#Cc1ccccc1)c1cc2cscc2s1 694397204 DRYGGGKUYFCZIG-OAHLLOKOSA-N 297.448 4.665 30 10 CJEE C=CCC1(Nc2c(F)c(F)c(F)c(F)c2F)CCCC1 700638260 BPJYMYJRIDPKCF-UHFFFAOYSA-N 291.263 4.683 30 10 CJEE C#CCCC[C@H](NCCC)c1cc2cscc2s1 703696436 UHDYYOHBHPJQMR-ZDUSSCGKSA-N 277.458 4.807 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCC12CCCCC2 703775347 GTGVBXUHDHUTOB-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE CCCCCCCC[C@]1(N)Cc2ccccc2[C@@H]1C 704426494 OACPLKRSBZWOTR-YJBOKZPZSA-N 259.437 4.794 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H](C)C(F)(F)F)NN 705547954 DZDQJTXBEKXWKJ-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)COc2ccccc2C1 709236987 QGODOSSDMPGISI-RDTXWAMCSA-N 271.404 4.594 30 10 CJEE CCc1c(-c2cccc(C(C)(C)C)c2)sc(C#N)c1N 709507577 IQWCALADDSAYCY-UHFFFAOYSA-N 284.428 4.729 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccc(Cl)cc1 709563843 JQKLRMHFERNHIQ-INIZCTEOSA-N 283.843 4.717 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 710624019 VOQCYEQXBBBWQQ-RBSFLKMASA-N 257.849 4.571 30 10 CJEE C=C(Cl)CC(=O)C(c1ccccc1)c1ccccc1 710652248 VCHGKJOBMVBHAQ-UHFFFAOYSA-N 270.759 4.530 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4.733 30 10 CJEE C=CCCCC[C@H](C)NC[C@H]1CCCC(C)(C)C1 1182387735 LQDNQSVRSKPRDF-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2F)C(C)C)C1 1182796269 SVDDZMULNURCRW-RVKKMQEKSA-N 275.411 4.857 30 10 CJEE C=CCC[C@H](CCC)Nc1cccc(O[C@H](C)CC)n1 1183445331 RDYPIFNAMVKGRC-CABCVRRESA-N 276.424 4.806 30 10 CJEE C=C(CC(C)C)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 1299766546 UGYNDGJFIPHADX-QGZVFWFLSA-N 285.431 4.589 30 10 CJEE C=C(C)CN(CC)Cc1ccc(-c2cccs2)cc1 1308653372 XDOBDZZUNFUHRM-UHFFFAOYSA-N 271.429 4.813 30 10 CJEE C[C@H](Cc1coc2ccccc12)Nc1ccc(CC#N)cc1 1308673954 GZBFAJHZSGAUCI-CQSZACIVSA-N 290.366 4.542 30 10 CJEE C=CCCCC(=O)OCc1ccc([C@H](C)CC)cc1 1435686748 NQRAADFVUBBCQO-CQSZACIVSA-N 260.377 4.600 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CC1CCCCC1 1459787119 XZEKXGHODRUSNJ-UHFFFAOYSA-N 285.431 4.562 30 10 CJEE CCCCCCCCCN1CCC[C@H](OC(C)C)C1 1460337700 CMMAFVWCNPZRAW-KRWDZBQOSA-N 269.473 4.626 30 10 CJEE C=C[C@H](OC(=O)CC1(C)CCCCC1)c1ccccc1 1461548235 IUOPFXQWAAGEQZ-INIZCTEOSA-N 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267.416 4.902 30 10 CJEE C=C(Cl)CO[C@H]1CCCC2(CCCCC2)[C@H]1NCCC 2178557532 WCKDNTJBWOYEFS-HOTGVXAUSA-N 299.886 4.627 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@](O)(CC)C(F)F 2178800613 QQDCNLMOEGBOKG-ZBFHGGJFSA-N 293.442 4.511 30 10 CJEE C=CCCCC[C@@H](NCC)C(C)(C)c1ccc(F)cc1 2179680237 JGETZFITKUUBLB-QGZVFWFLSA-N 277.427 4.828 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2CCC[C@H]2C(F)(F)F)CC1 2181648960 XNHODGCTKWIKKD-KWCYVHTRSA-N 288.353 4.917 30 10 CJEE C=C1CC(CN(C)Cc2csc(C3CCCCC3)n2)C1 2182123791 STLZKMGTRGTNMU-UHFFFAOYSA-N 290.476 4.589 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C2CC3(C2)CC32CC2)CC1 2184067448 WHNUAYXUDBOBEZ-XAUUPUKJSA-N 272.432 4.908 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)c1c(C)cc(C)cc1C 2187469157 WPOCYIIIMMZENO-QGZVFWFLSA-N 287.523 4.533 30 10 CJEE CCCCCCCCOC1(C(F)(F)F)CCC(N)CC1 2190586910 HVSPFPOZGDYIHT-UHFFFAOYSA-N 295.389 4.566 30 10 CJEE CCCCCCCCC[C@H](CC[C@H](C)C(F)(F)F)NN 2191511726 NBVFHWHJLLOPIQ-UONOGXRCSA-N 296.421 4.938 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)C1(CC(C)C)CC1)C1CC1 2196856461 GYHAEGHMASWVLO-QZTJIDSGSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@](C)(O)c1ccc(C(C)C)cc1 2197143006 WTQSZIDMQASEBR-IBGZPJMESA-N 266.384 4.731 30 10 CJEE C=C(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1 2197151136 WZNIUBDBWGATKM-UHFFFAOYSA-N 282.339 4.937 30 10 CJEE C=CC1(CN[C@@H]2CC3C[C@H]4CC2C[C@@H](C3)C4)CCCC1 2197434137 OAVHHPVSDHXALJ-YFVGIKETSA-N 273.464 4.537 30 10 CJEE C=C[C@H](C1CC1)N(C)Cc1csc(C2CCCCC2)n1 2204705256 VHSATSFAGHSIRS-MRXNPFEDSA-N 290.476 4.587 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc2c(c1)CCCO2 2206883750 CPLMDTCJIBZGRR-QGZVFWFLSA-N 273.420 4.538 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(C)nc2scc(C)n12 2206885425 MCDCNIQUOZSGMY-CQSZACIVSA-N 291.464 4.539 30 10 CJEE C=CCCCCCC[C@H](O)C(C)(C)N1CCCCCC1 2206889392 AQVRHOGSMHBXBU-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCC[C@H](NN)[C@]1(C)CCCC(F)(F)C1 2206889415 AWHHUDZUAWRICE-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H](O)c1cc(C)c(C)s1 2206892368 QQSYTUOKPKSESY-NVXWUHKLSA-N 295.492 4.513 30 10 CJEE C=CCCCCCCCCN1CC(C)(C)[C@@H](C)CC1=O 2207371796 BECDNAXPIMPVCQ-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)CC1[C@@H]2CCC[C@@H]12 2207377368 NBXRVOZBGQUPPU-QINHECLXSA-N 297.508 4.996 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C)C(=O)C[C@H]1C 2207402159 JELULABFMZLCRS-IAGOWNOFSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@@H](CN)CC(C)C 2207402468 KFUAMKJDTYKCKR-ROUUACIJSA-N 283.500 4.665 30 10 CJEE C=CCCCCCCCC[C@]1(N)CCO[C@@](C)(CC)C1 2207403069 GKLZVOMHVQRORE-ROUUACIJSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC(=O)CC[C@@H]1CCCNC1 2207405945 UXCNJLSWQHKLPU-KRWDZBQOSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1CCC[C@@H](N)C1 2207412173 WBUUTHMKFSTXLN-DLBZAZTESA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1csc([C@H](C)N)n1 2207425792 URCCICXGTKCAJE-DZGCQCFKSA-N 296.480 4.503 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)C[C@H](C)O[C@H](C)C1 2207431886 KCBGQLOZBPDMSU-PIIMJCKOSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@H](C)C(F)(F)F)NN 2207431963 KSXQSXBSPRAJCS-KBPBESRZSA-N 294.405 4.714 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCNC(C)(C)C1 2207436905 MHXUBJXURBNSOI-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H](CN)N1CCC[C@H](CC)CC1 2207443990 FTPBJIUTOQFVHE-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)[C@@H]1CCCC[C@@H]1CC 2207449869 PYXODAIHCACTCK-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](O)[C@]1(C#N)CCCC12CCC2 2207456350 JHLYGJSJCHGFFH-SJLPKXTDSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@@H](C)CC(F)(F)F 2207457358 NZTDAYWDKIXDHE-OLZOCXBDSA-N 296.373 4.646 30 10 CJEE CCCCCCCCN(C)C[C@@]1(Cl)CC1(C)C 2216098431 USGGLBOCUHQZJI-HNNXBMFYSA-N 259.865 4.686 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CCCCC1CC1 2220007499 TYNVFFHIBNOGAU-GOSISDBHSA-N 273.486 4.974 30 10 CJEE C=CCCCCCCCNc1ccc(F)cc1F 2220084458 LDNOTVAHVUWKAM-UHFFFAOYSA-N 253.336 4.903 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](F)C(F)(F)F 2223848146 MAOCJQINLPPNHB-NEPJUHHUSA-N 271.342 4.616 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]12C[C@H](C)[C@@H]1C2 2227269066 VWQSOBRWUIJZBM-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 2229852315 VPAULEJUACHOLB-HOCLYGCPSA-N 256.393 4.575 30 10 CJEE CC(C)c1ccc([C@@H](C)NCC#CC(C)(C)C)cc1 2230494377 GKFUBDQTFVBUFM-OAHLLOKOSA-N 257.421 4.510 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](NCCC)C(C)(C)C 2231026311 HOYNVHXFQSCDQC-HZPDHXFCSA-N 269.473 4.552 30 10 CJEE CCCCCC[C@H](C#Cc1ccc(Cl)cc1)NCC 2231088127 KXYZJPRVQOTOJL-QGZVFWFLSA-N 277.839 4.640 30 10 CJEE C=C(CC)COc1cc(Cl)ccc1CN[C@H](C)CC 2231551353 GYBUGVVUSJEUDJ-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(C2CC2)cc1 2231599650 FKJITLZLIZQMLI-SFHVURJKSA-N 260.421 4.828 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 2231929617 QIPHVHGVMKLXNN-WOYTXXSLSA-N 269.473 4.527 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1OC[C@H]2CCC[C@@H]21 2233191429 MDYPFYZKGCXHGG-SOLBZPMBSA-N 280.452 4.901 30 10 CJEE C=CCCCCCCCCOc1ccnc(C(C)=O)c1 2234030389 YLXTWGCGOXSRIJ-UHFFFAOYSA-N 275.392 4.580 30 10 CJEE C=CCCCCCCCCO[C@H]1CCCC(C)(C)[C@H]1O 2234049256 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2275405018 TZBGQSRZCPTVTG-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCCN)C(CC)CC 2276968470 RAVRSHGCNVONGC-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CC=C(C)[C@H](CCCCCCCCC)OCCCN 2277109635 VWQKRZYEQGCZLW-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@H](CC(C)(C)SC)OCCCN 2277224114 GBWIMQNLTUKUCC-OAHLLOKOSA-N 289.529 4.613 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H](C)C1CCC1 2277374568 NJQNMFODSQJONI-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@H](C)CCCCCCCCC)C1 2278241224 CFIYCTPEMSAQPD-KZNAEPCWSA-N 263.469 4.907 30 10 CJEE CCCC[C@@H](CC)CSCc1cscc1C#CCN 2278381158 VHCFZUNEJWHTJX-CQSZACIVSA-N 295.517 4.508 30 10 CJEE CO[C@@H]1C[C@](C#N)(CC[C@H]2CCC[C@@H](C)C2)C12CCC2 2279821265 PEZRISAOYNSKHD-VQHPVUNQSA-N 275.436 4.692 30 10 CJEE Cc1cc(N[C@@H](C)CCCC(F)(F)F)cc(C)c1C#N 2280566572 DMCYCFVSDYVJKB-LBPRGKRZSA-N 284.325 4.708 30 10 CJEE C=CCC[C@@H](C)Oc1cc(C)c(CNC(C)C)c(C)c1 2282942597 UMUPYKDYUBBUPW-MRXNPFEDSA-N 275.436 4.535 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1ccc(O)cc1C 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2290199862 LWGZWCPGQPIYPS-MRXNPFEDSA-N 280.358 4.531 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2290328964 AQUYTZSASWPQQJ-HZPDHXFCSA-N 276.464 4.806 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1CC12CCC2)OCCN 2293043871 HTUGCIRFLXKDGD-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCCC(C)=C1C 2293367307 BZYDKBHGUROQDL-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C#CCCCCC[C@H](OCCCN)C(CCC)CCC 2293434327 UOQSXKBMYYNRIE-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C1(C)CCC1 2293580145 CPDONKWCGCBXNG-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1CC 2293873161 KBKMWCZEEAKIFV-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@@H]1CCC[C@@H](C)C1 2294048489 RFLZQRYANDTHNG-KURKYZTESA-N 281.484 4.683 30 10 CJEE CC(C)CCN(CC(C)C)c1cc(Cl)c(C#N)cc1F 2294746878 JFEZUQOACSXQSX-UHFFFAOYSA-N 296.817 4.859 30 10 CJEE CCCCCCC[C@@H](CN)N(CCC(C)C)CC(C)C 2294747258 OGCSAXCCDARXDS-SFHVURJKSA-N 284.532 4.678 30 10 CJEE N#C[C@]1(c2ccc3ccc(Cl)cc3n2)CCCC12CC2 2294982591 WVHGGLUHMCXTRD-KRWDZBQOSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1CCO 2295674882 WHNPZAGDKYELOW-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CCC(C)(F)F 2295681085 CVEVTBFEOZZSQA-LSDHHAIUSA-N 293.442 4.641 30 10 CJEE CC[C@H](C)C[C@](C#N)(CSCC1=CCCC1)NC(C)C 2296276091 DPLGZJPPWCZLHH-RDJZCZTQSA-N 294.508 4.526 30 10 CJEE C=CCC(CC=C)c1nc(C(F)(F)F)c(C)s1 2301059394 CQZQTXXAQJCFHZ-UHFFFAOYSA-N 261.312 4.706 30 10 CJEE C#CCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2302209349 IEINZPVHTNTIMA-UHFFFAOYSA-N 273.134 4.509 30 10 CJEE C=C([C@@H](N)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2302211211 XCUAIPXAXLNHIO-GFCCVEGCSA-N 276.182 4.735 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C(F)F)cs1 2304040119 ZWVXYPQOXZGFOE-NSHDSACASA-N 259.365 4.549 30 10 CJEE C=C([C@@H](O)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2306253697 JLZBFBCQWIHMSG-GFCCVEGCSA-N 277.166 4.768 30 10 CJEE C=CC[C@H](C)S[C@H]1CC(CC)(CC)CC[C@@H]1NC 2313644557 JECYTLKUFPAIAN-KKUMJFAQSA-N 269.498 4.631 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](c1cccs1)C(C)C 2315465529 NCZGETMXVMNHHR-FMKPAKJESA-N 263.450 4.780 30 10 CJEE SCC1(COCC2CCCCCCC2)CCCC1 2319944171 NOKAWTMSTOLKHD-UHFFFAOYSA-N 270.482 4.854 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(Cl)ccc(F)c1F 2321144836 KUDJCCXMFIHIRO-CQSZACIVSA-N 272.722 4.793 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccc(CC)cc2)c1 2323063529 ABINQDDECTYJQZ-UHFFFAOYSA-N 292.378 4.710 30 10 CJEE CCCOc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2323850814 NQBACPGRUOVEAQ-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2cc(F)c(Cl)cc2Cl)O1 2325175354 LUPVEXYSRSLLEW-SDBXPKJASA-N 288.149 4.656 30 10 CJEE CC(C)C[C@@H](CS)CSc1nc2ccccc2s1 2328534906 OWSXMQCFOFQTCY-NSHDSACASA-N 297.514 4.981 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2329136151 HXZYYPCHWYDFFX-CBBWQLFWSA-N 273.411 4.759 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCC2)C1 2332783090 UZJBTQANNHGGLT-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333886343 ADUJMAVQRDHXSU-QLFBSQMISA-N 273.411 4.713 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC12CCC2 2334629332 BPPFXFWQCVPRGD-UIBIWLFHSA-N 260.421 4.742 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1CNC1CCC1 2335247358 DVTZGSNVRUOFHX-GFCCVEGCSA-N 279.424 4.525 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1nc(C)c(C(C)(C)C)s1 2337094047 LGPUCKKHODNBQY-CHWSQXEVSA-N 278.465 4.906 30 10 CJEE C=CCCCCCCCCN1CC[C@@](F)(C(F)F)C1 2337725223 AEARLVANELSVJU-HNNXBMFYSA-N 277.374 4.582 30 10 CJEE C=CCOc1ccccc1C(=O)CCC(CC)CC 2338162449 VBDIGMKJDBUVBK-UHFFFAOYSA-N 260.377 4.651 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CC[C@@H](CC)C1 2338727030 HHSNTABSGFJCEU-QAPCUYQASA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(C(C)C)CCC1 2338731694 CHMFJEKFUUOTQN-QGZVFWFLSA-N 263.469 4.949 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338787594 OPKKSDDOIYNKRL-IECFSIQFSA-N 261.453 4.537 30 10 CJEE C=C1CCC(CNC[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338899514 OWCKHSCNYBWGRR-SZMVWBNQSA-N 261.453 4.539 30 10 CJEE Cc1c([C@H](O)CC#CC2CCCC2)ccc(Cl)c1Cl 2339053944 HWFSJCWDARQHQH-OAHLLOKOSA-N 297.225 4.919 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccc(C(C)(C)C)cc1 2341882253 BUNYXBRGZIKKIZ-IAGOWNOFSA-N 257.421 4.601 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1csc(C(C)(C)F)n1 2342049677 XAZMSIJPCNEZGE-RYUDHWBXSA-N 284.444 4.601 30 10 CJEE C=C1CC([C@H](CC[C@H]2CC[C@@H]2C2CC2)NCCC)C1 2342553413 CIXCPSVUSCZRBC-NXHRZFHOSA-N 261.453 4.537 30 10 CJEE CCCCCCCOC[C@@](C)(CC)CNC1CCC1 2343176101 JPJZVUXRRZVRQQ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE C=C1CC(CNC2CC2)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2343384779 PWNCHMFDUFYUFY-HOCLYGCPSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)c(C)c1)NC 2344336199 HEAAASULGYOWHU-IRXDYDNUSA-N 279.855 4.771 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)cc(F)c1F 2344379430 XTAPFCZUOVTXCE-BLLLJJGKSA-N 267.363 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1cccc(C(C)C)c1 2344461191 YFYKHBNNRHUHFD-MSOLQXFVSA-N 260.421 4.706 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@H]2OCCC[C@H]12 2360179746 LMFNXBXMHXAKPD-MHORFTMASA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1cccc(C(F)(F)F)c1 2360199189 UKUGBYVQFVWISX-LBPRGKRZSA-N 283.337 4.877 30 10 CJEE C=CCC(CC=C)O[C@](C)(CCCCCCC)C(=O)O 2360219003 YXHYWIYEPWBWBJ-QGZVFWFLSA-N 282.424 4.728 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)c(OC)c1 2360367103 VDICLOCDKRCRQC-KBPBESRZSA-N 293.476 4.640 30 10 CJEE CCCN[C@](C)(C#N)CCCSCC1CCC(C)CC1 2360508998 PWNUXJRITIIGCR-JCYILVPMSA-N 296.524 4.608 30 10 CJEE O=C1/C(=C/c2ccccc2Cl)CC[C@@H]1C1CCCC1 248068 FMJQRRQLNYXDNK-ATGUSINASA-N 274.791 4.893 30 10 CJEE CC(C)CCCCCCN[C@H](C)c1ccc(C#N)cc1 21516143 XIFRZSJHVHWFLS-MRXNPFEDSA-N 272.436 4.815 30 10 CJEE CCN(CC)/C(=C/C(=O)c1ccc(C)cc1)c1ccccc1 33388503 IGOXBCRNDXAXAQ-XDJHFCHBSA-N 293.410 4.561 30 10 CJEE Cc1ccsc1/C=C1/CC[C@@H](C2CCCC2)C1=O 33793820 OKAJPBHKYZZEGW-ZVHGMHCTSA-N 260.402 4.609 30 10 CJEE O=C1/C(=C\C=C\c2ccco2)CC/C1=C\C=C/c1ccco1 33924426 MIOHHBGSJIIFNZ-IOOIOZBZSA-N 292.334 4.815 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(CC)C2CCCCC2)C1 35250511 MKZBDMSEVSZSIB-LZLYRXPVSA-N 276.468 4.750 30 10 CJEE N#Cc1ccc(NC2CC(c3ccccc3Cl)C2)cc1 36842520 MRRWAFYZXRAAHL-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE N#Cc1sc(-c2ccc(F)cc2)c(-c2ccccc2)c1N 44273994 JXOHUZDAYLEIRR-UHFFFAOYSA-N 294.354 4.675 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Nc1ccccc1-c1ccccc1 54823062 OWXGNYLYUMXXIG-WMZOPIPTSA-N 276.383 4.848 30 10 CJEE N#C[C@@H](CCOc1ccccc1F)c1ccccc1Cl 57685375 FLUADXJWWGALDX-GFCCVEGCSA-N 289.737 4.555 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1ccccc1Cl 57686985 HPSIBOWEYUUBFQ-CQSZACIVSA-N 285.774 4.725 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 59456579 YBLJYCNFCNVRHR-CYBMUJFWSA-N 264.369 4.756 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCc2sccc21 61327439 QGOJZUFUNXZTIG-AWEZNQCLSA-N 286.375 4.557 30 10 CJEE C=CC[C@H](Sc1nc(C)c(C)o1)c1ccccc1 72262800 YJTPSNAOJAVABJ-AWEZNQCLSA-N 259.374 4.701 30 10 CJEE Cc1sc(-c2ccc(OCC(C)C)cc2)cc1C#N 77094753 URKBXSPTFFGZJN-UHFFFAOYSA-N 271.385 4.630 30 10 CJEE N#CC1(Cc2ccc3c(c2)CCC3)CCCCCC1 87945806 IPCXODIBFNDNKI-UHFFFAOYSA-N 253.389 4.582 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)C1CCCCCC1 89561106 DOEVWZNYQZRFTG-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2Cc3ccccc3O2)CC1 90878497 YWSDWWROMUQRLF-URSIVYNOSA-N 283.415 4.880 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 94276492 KTFAPYHPAZVCIP-AWEZNQCLSA-N 296.336 4.958 30 10 CJEE COc1cccc(SC[C@H](CS)c2ccccc2)c1 94588833 GSJJCOWTJBXCAB-AWEZNQCLSA-N 290.453 4.501 30 10 CJEE Cc1ccccc1SC[C@H](CS)c1ccccc1 94589335 ZMJJIYNTNOPQQW-HNNXBMFYSA-N 274.454 4.801 30 10 CJEE C=CCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 97219983 XURNSDLVLFZZOA-LJQANCHMSA-N 281.399 4.622 30 10 CJEE CCCCCCCC[C@H](Cc1ccccc1C)NC 109730474 IQGIEIRJGUATAF-GOSISDBHSA-N 261.453 4.876 30 10 CJEE CCCCCCCCO[C@H](C)CNCc1cccs1 110239567 ODNPOSMSMNOYRV-OAHLLOKOSA-N 283.481 4.603 30 10 CJEE CCCCCCCCCN1C[C@](C)(C2CC2)NCC[C@@H]1C 114079086 VBXMDVQMEOGLPC-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCc1nn(C)c(N)c1-c1ccccc1 115858226 WVTMWBWYWFNTGJ-UHFFFAOYSA-N 285.435 4.572 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(C)CCCC1 122649470 PXDPAXTXKLPGAN-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(Cl)cn1 125079825 CSACRYWJXSMSOT-OAHLLOKOSA-N 269.816 4.909 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](OC)C(C)C 127804935 FFJLBDJBJWLAQB-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCS1 160737643 CMCYUFHNIAASER-OAHLLOKOSA-N 256.455 4.982 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](OC)C1CCCCC1 167287786 QRBMOVIZYUFOHD-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCOC2(CCC2)C1 168315984 XUMHBZXLTSLBKH-HNNXBMFYSA-N 266.425 4.655 30 10 CJEE CCCN(CCC)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 212986630 MYWKTNBHHZIRMR-AWEZNQCLSA-N 285.218 4.680 30 10 CJEE CN(C1CCCCCC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 217891481 MYKXMFWMSPYCDT-NUJGCVRESA-N 290.495 4.996 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Br)cc1C 229737558 LHRNQNIWSYQAAT-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C#C[C@H](CCC)N[C@@H](CC)c1ccc(Cl)cc1Cl 229921029 PSNKNPRBFSCAPH-DOMZBBRYSA-N 284.230 4.836 30 10 CJEE C=CCCCCCC(=O)c1nccc2ccccc12 232568223 FCNRGHKQSOVNFR-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCCCCCCC[C@H]1C[C@H](C(F)(F)F)CCN1 232930794 YDDAFKXKHNGUAL-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1CNCCC 233100283 XUPHIHCUFFHIPP-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C)c(Cl)c2)C1 233923766 QTHYRYZTBMBBGQ-COXVUDFISA-N 291.822 4.792 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCCC)[C@H](C)CC 250811480 HRDGECIWWGLDLN-QZTJIDSGSA-N 284.532 4.965 30 10 CJEE CC(/C=C/c1ccccc1)=NOC(=O)c1ccccc1Cl 254745233 RCYWWQPAOZXGFF-XJMYSSMLSA-N 299.757 4.586 30 10 CJEE CC(C)(C#N)C[C@@H]1CSc2ccc(C(F)(F)F)cc21 260417582 RJUUKLLYXNKJPR-SECBINFHSA-N 285.334 4.835 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC(F)(F)C2)C[C@H]2CC[C@H]1C2 302324363 CMNQVIQTXVWVPT-XUXIUFHCSA-N 253.336 4.532 30 10 CJEE CC[C@H]1CCCC[C@H]1n1ccc2ccc(C#N)cc21 311267772 AUSZMOGDEUIPBC-GOEBONIOSA-N 252.361 4.654 30 10 CJEE C=CCC(C)(C)CN[C@H](CC(C)C)c1ccccc1 311689739 KCZYNQOJMVOSFK-QGZVFWFLSA-N 259.437 4.966 30 10 CJEE CCCCCCCCCCCCC(=O)c1cn[nH]c1 311866930 LBSINBCBODECSU-UHFFFAOYSA-N 264.413 4.903 30 10 CJEE C=CCCCCCCNc1cc(Cl)ccc1[N+](=O)[O-] 312070265 NELNBQFURYBZSO-UHFFFAOYSA-N 282.771 4.797 30 10 CJEE CCc1ccc(C[C@]2(C=O)CCC[C@@H](CC)C2)s1 316859298 OWBSIGMNIWRARX-CJNGLKHVSA-N 264.434 4.639 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CCC2(CCCCC2)O1 316947179 HOWIPURXPSBLJI-IXDOHACOSA-N 278.436 4.654 30 10 CJEE CCC1CCC(C=O)(CCCOc2ccccc2)CC1 317417467 FFDYLVCUPRELIC-UHFFFAOYSA-N 274.404 4.631 30 10 CJEE Cc1cncc(CC2(C#N)CCC(C(C)(C)C)CC2)c1 394475235 MLSMXRVLGLQAGE-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCCCCCCCCC[C@@H](O)CCN1CCCCC1 395963486 XXZKSUOWKPGTCB-GOSISDBHSA-N 283.500 4.754 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(N2CCCCC2)cc1 398097477 GBFVCSRFGIKJDR-QGZVFWFLSA-N 286.463 4.511 30 10 CJEE N#CCc1ccc(-c2ccc(Cl)cc2Cl)nc1Cl 514263334 NEJJPJXZIJKSLG-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc2cscc2s1 693960118 UEFVPMROPUNGEF-GFCCVEGCSA-N 270.382 4.640 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCCOC1CCCCC1 699953383 MQSWYZXOXCFALX-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCNC[C@@H]1CCCSCC1 700619984 IRFCLKVGLMTWJE-MRXNPFEDSA-N 271.514 4.860 30 10 CJEE C=CCC1(NCc2csc(C(F)(F)F)c2)CCCC1 703386566 LSPOHWVRRUWUIV-UHFFFAOYSA-N 289.366 4.745 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCCCC[C@@H]1C#N 703747408 BUUIMWPXQVMQAV-HSFUPAIVSA-N 276.468 4.509 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC2(c3ccccc3)CC2)C1 704053048 PNHNPLOGKCWKAA-WBVHZDCISA-N 256.389 4.504 30 10 CJEE CCCCCCCCCC[C@](N)(CC)[C@H]1CCOC1 704920363 UFRMWTSNXSUTOL-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC[C@@]1(N)CS[C@@H](C)C1 704956994 CGGVLODLVCQEEH-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cn(C)c(C)n1 706277107 URXAKCJCKCJULB-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@@H]1N 708062642 GKNABHZINZQGJH-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@H](C)CC(C)(C)C 709232578 DETFKQYVVFZLEJ-GFCCVEGCSA-N 259.393 4.626 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccccc1Cl 709375868 JLQIKRDPTQZLIP-XJKSGUPXSA-N 263.812 4.565 30 10 CJEE CCCCCCCCNC[C@@H]1CC(C)(C)OC1(C)C 709656774 PQHOXKLPSICJHC-HNNXBMFYSA-N 269.473 4.530 30 10 CJEE Cc1cccc(N=C2NC3(CCCCCC3)CS2)c1F 713211366 ZQAGITPGSABEJD-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CCC[C@H](/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713287514 VZBOLSOCXWMOOX-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]21 714317361 WXVYZEVRGOUXKC-YESZJQIVSA-N 251.458 4.905 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1ccc(Cl)cc1C#N 719294831 BHNMDEUMATWMMD-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](C)[C@@H]1CCCO1 720221685 GNQJEHXUXFPWDR-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCC[C@@H](CC)C2)CC1 724541654 BFVJNBAXZGQLJC-PVAVHDDUSA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2C[C@H]2CC(C)C)CC1 724605627 BAUWYHOBEYYMMT-SQNIBIBYSA-N 263.469 4.783 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC3CCC2CC3)CC1 821962361 CEEUOQNCDCPPDH-LESVLKBLSA-N 262.437 4.988 30 10 CJEE CC(=O)c1cccc(N=Cc2c(C)cc(C)cc2C)c1 1084172843 FSWKDOWDCJWVRG-UHFFFAOYSA-N 265.356 4.565 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@]1(C)CC=C(C)CC1 1126141520 MGAWDDJSVMGOGW-LJQANCHMSA-N 289.463 4.718 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2CCCC2)cc1 1131516679 SNIZMQQOHMSJRO-KDURUIRLSA-N 295.426 4.667 30 10 CJEE C[C@H](Nc1ccccc1C1CC1)c1cccc(C#N)c1 1167708992 HPMCHKMWKBNHSF-ZDUSSCGKSA-N 262.356 4.609 30 10 CJEE C#Cc1ccc(CNCCCCCCc2ccccc2)cc1 1203149049 BRUCNYWAHNANJR-UHFFFAOYSA-N 291.438 4.561 30 10 CJEE N#CCc1cccc(-c2cc(Cl)c(Cl)cc2Cl)n1 1242782967 DLOYRGARLNSWGM-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(OC2CCCC2)cc1 1264392853 FANNJYPPDHGLHN-UHFFFAOYSA-N 299.414 4.715 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2(Cc3ccccc3)CCC2)C1 1308313395 CEDXTKONWUDKNF-IEBWSBKVSA-N 283.459 4.734 30 10 CJEE C#Cc1cccc(N(C(=O)C[C@H](CC)C(C)(C)C)C(C)C)c1 1359863849 YQSFWFSONYEDCQ-KRWDZBQOSA-N 299.458 4.872 30 10 CJEE C=CCC[C@H](C(=O)OCc1ccccc1C)c1ccccc1 1458808755 KLQYBBQFAXDLIG-IBGZPJMESA-N 294.394 4.788 30 10 CJEE C=C(C)CCNC1(c2ccc(Cl)c(Cl)c2)CC1 1460011190 KWJPUQVXMKYBNQ-UHFFFAOYSA-N 270.203 4.538 30 10 CJEE C=C(C)CCN(OC)[C@@H](C)c1cccc(C(F)(F)F)c1 1473813849 UESYEUSDDHMBTM-LBPRGKRZSA-N 287.325 4.596 30 10 CJEE C=C[C@H]1CCCCN1C(=O)N[C@@H](CCC(C)C)C(C)(C)C 1477911830 DLHVFZPCWILHBR-HOTGVXAUSA-N 294.483 4.587 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(SC)oc1C 1527549354 GICXWOQPCPYODY-UHFFFAOYSA-N 295.448 4.566 30 10 CJEE C=CCC1(C(=O)Oc2ccc(C3CCC3)cc2)CCCC1 1537889151 BAMIRJQROJGAOE-UHFFFAOYSA-N 284.399 4.996 30 10 CJEE C=CC(C)(C)CNC(=O)c1ccc2c(c1)oc1ccccc12 1540115799 XADAYQXTLBSSKU-UHFFFAOYSA-N 293.366 4.528 30 10 CJEE C=CCCCCN1CC[C@H](c2cccc(OC)c2)C1(C)C 1560111716 DULNWKGAOVYAPD-GOSISDBHSA-N 287.447 4.619 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CC)C(C)(C)C 1586140100 ODEKNFQBYCPWQH-BZUAXINKSA-N 279.468 4.700 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)c2ccccc2)CCCCC1 1587461730 XELYDCVVYAOCIW-INIZCTEOSA-N 285.431 4.575 30 10 CJEE C=C(C)CCN(Cc1ccco1)Cc1ccc(C)s1 1615326596 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CCCCCCCC[C@](C)(O)[C@@H](N)C1=CCCCCC1 2240637356 HXSNOFCYYQSDKC-ROUUACIJSA-N 281.484 4.706 30 10 CJEE C#CC[C@H](C)CC(=O)c1cc(Cl)c(Cl)cc1C 2249734923 WFQSAIBKXYSGIT-VIFPVBQESA-N 269.171 4.534 30 10 CJEE C=C(C)CCCCC(=O)c1cnc(Cl)c(Cl)c1 2250135617 HPZXHLKZNFMEAB-UHFFFAOYSA-N 272.175 4.708 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)ns1 2250192949 YRHWLJJTTWYAJD-LLVKDONJSA-N 272.845 4.584 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1OCCCCCCCS 2252609966 HTJJJUBALANFMG-QLFBSQMISA-N 258.471 4.708 30 10 CJEE C=CCC[C@H](C)[S@@](=N)(=O)C[C@@H](CC)CCCC 2253023780 YSJHRMROJCYJPK-ZQIUZPCESA-N 259.459 4.604 30 10 CJEE CCCCCCCCCCCC[C@@](F)(CN)CF 2253949500 ULEUDBGRWBIDEC-HNNXBMFYSA-N 263.416 4.934 30 10 CJEE C=CCCSc1c(Cl)cccc1CN[C@H](C)CC 2258992764 OLKMAOLIQJYHKX-GFCCVEGCSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCCC(=O)CSc1ccccc1C 2259162472 XVLYFDSXEBZPDG-UHFFFAOYSA-N 262.418 4.793 30 10 CJEE C=C(C)CCCC[C@H](N)c1cscc1C(F)(F)F 2259209481 CQTXHKBECOYJIO-LBPRGKRZSA-N 277.355 4.903 30 10 CJEE C=CCC1(NCC[C@@H](C)CCCC(C)C)CCC1 2259646288 KYKMDKHGQFIRCZ-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@]12CCC[C@@H]1CC2 2260517236 QNCFYHOBCFFARY-IXDOHACOSA-N 250.426 4.844 30 10 CJEE C=C(Cl)C[C@@](C)(CCCCCCCC)OCCN 2262401344 WJMKGEWROHTSGN-OAHLLOKOSA-N 275.864 4.614 30 10 CJEE CCCCCCCCC[C@](C)(O)C#C[Si](C)(C)C 2263675620 ZYZQOXIRCCPWPV-INIZCTEOSA-N 268.517 4.759 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc(Cl)c(O)c(Cl)c1 2264193829 QEIAHRFNFKNEQJ-SNVBAGLBSA-N 288.218 4.533 30 10 CJEE N#Cc1ccc(Cl)c(NCC2CC3(CCCC3)C2)c1 2265224297 ARVBVIDMZUHDAG-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCCCCCCNC1CC2(CC(F)C2)C1 2265714316 RILRQKNHEXGFFS-UHFFFAOYSA-N 269.448 4.997 30 10 CJEE C=CCCCCCCC[C@@]1(N)CC(F)(F)C12CCC2 2266193945 RIBMZXBIPRFCAZ-OAHLLOKOSA-N 271.395 4.810 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2CCCC23CC3)NC)CC1 2266580858 XLXGINQDNCNCMA-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE CCC1CCC([C@@H](O)CC=CC#CC(C)(C)C)CC1 2268738106 ICZZQQYQSFPXHW-JCYILVPMSA-N 262.437 4.560 30 10 CJEE 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CCCCCCC[C@@H](C[C@@H](CC)CC(F)F)OCCN 2294563816 WVJYGBXLZFROQD-CABCVRRESA-N 293.442 4.762 30 10 CJEE C=C[C@H](C)CCN(C)Cc1c(C)c(C)c(C)c(C)c1C 2294686650 BHKGTFMESYRIHU-ZDUSSCGKSA-N 273.464 4.873 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCC[C@H](CN)C1 2295537768 CHAKCLHKGOZDKP-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cc(CC)ccn1 2295588445 OVMKNOMJCCTEBD-GOSISDBHSA-N 277.452 4.992 30 10 CJEE CC=C[C@@](C)(CCCCCCCCC)OCCC(=O)O 2295672902 BUTXAACIHJPQHC-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE O=C1C(=Cc2ccc(F)c(F)c2)CC[C@@H]1C1CCCC1 2297334148 GZBRLWSLLKQDIT-CQSZACIVSA-N 276.326 4.518 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc2sccc2s1 2301015621 QRRRXROPNFFCFF-CQSZACIVSA-N 263.431 4.731 30 10 CJEE CC(C)=C(C)C(=O)CCc1cc(Cl)cc(Cl)c1 2302387946 RBHHDDVKQLFIQR-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1sc(C)c(C)c1C 2304025956 XOXPDZFGXSRAMK-LSDHHAIUSA-N 251.439 4.666 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(Br)cc1C 2304052396 NRUPFWRJNTTWJQ-OAHLLOKOSA-N 295.220 4.933 30 10 CJEE 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4.807 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1ccc(CCC)cc1 2338696394 OQKHXEVCURWTDP-GOSISDBHSA-N 258.405 4.615 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 2338735344 KOHAPPFWTJNLFA-BDXSIMOUSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C(=O)O 2338746793 JXKIVASQZPYCAH-JYJNAYRXSA-N 264.409 4.528 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC12CCC2 2338905198 ZIOFHCLIOONVNS-CUSZFKRNSA-N 260.421 4.742 30 10 CJEE CCC1(OCC2CCCCCC2)CCC(=NO)CC1 2338939621 WMGZOSMXQNEABW-UHFFFAOYSA-N 267.413 4.526 30 10 CJEE CCCCCCCC(=O)c1c(C(F)F)nn(C)c1Cl 2339470213 CEMKPSVIUWZYAV-UHFFFAOYSA-N 292.757 4.554 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCC[C@@H]1C(C)(C)C 2339904672 ISHSVYPHYAVKHY-DOTOQJQBSA-N 255.405 4.685 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)[C@@H](C)C(C)C 2340260869 DFMPQTFBCLBGHH-DOTOQJQBSA-N 268.441 4.515 30 10 CJEE CC(C)=CCC[C@@H](C)OC[C@H](CS)c1ccccc1 2341742605 OWUJXWOSDSVINL-NVXWUHKLSA-N 278.461 4.852 30 10 CJEE CC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C(C)C 2342352039 WMUDHJMHRBQTII-LLVKDONJSA-N 288.300 4.996 30 10 CJEE C=C(C)C[C@H](N)C[C@@H](c1ccccc1)C1CCCC1 2342555588 DAYCKPCDXWQSNX-ROUUACIJSA-N 257.421 4.644 30 10 CJEE CCCC[C@](C#N)(CC)CC1CC(OC)(C(F)F)C1 2343056567 RZGOEBAUDYNPOL-HNFVBEJKSA-N 273.367 4.547 30 10 CJEE CCCCCCCCC[C@@H](N)C1(C(C)(C)OC)CC1 2343681685 APSPARNBCHTSRP-OAHLLOKOSA-N 269.473 4.660 30 10 CJEE C=CC1(C[C@@H](N)c2cccc(C3CCC3)c2)CCC1 2343784894 CISSKIMXKHPMCW-QGZVFWFLSA-N 255.405 4.700 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H](C)c1ccccc1)NC 2344349649 VGDNODJGYPPFDD-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@]12CCCC[C@@H]1CC2)NCC 2344382470 GDSVYOCQGXUFOS-NUJGCVRESA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CC[C@@H]1C1CC1)NCC 2344398721 YJLZKCWZQSOXTC-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC1(COC)CCCCC1 2344407500 WXLFARZNOHHPME-INIZCTEOSA-N 266.425 4.535 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(CC(C)C)c1 2344459941 MPWRFMNAKMVBTC-ROUUACIJSA-N 260.421 4.911 30 10 CJEE CCCCCCCCCCCC[C@H](F)[C@H](CN)OC 2352316842 SWAGPNWEHUPOBJ-HOTGVXAUSA-N 275.452 4.609 30 10 CJEE C[C@H](CCS)CCOCc1cccc(C(F)(F)F)c1 2353255763 RUTJERQYFPTNKN-NSHDSACASA-N 292.366 4.568 30 10 CJEE CSc1cc(NCCC2CC(C)(C)C2)ccc1C#N 2353823398 AARQMQMUBDCIBV-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE CC(C)C[C@@H](CS)COc1ccc(C(F)(F)F)cc1 2353828092 OFHMIRJPHLMDIQ-LLVKDONJSA-N 292.366 4.676 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1O2 2353901857 RDNQJJVPRMAKKH-WNRNVDISSA-N 281.484 4.673 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2359313928 YTHNXNQAKIZRPF-QXCFHYIPSA-N 269.432 4.504 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H]1CC[C@@H]2C[C@@H]2C1 2360069926 IJNOARKVMCSCFJ-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)OC[C@@H](NCCC)c1ccc(C)s1 2360214466 ITHWTRJALRNNME-MRXNPFEDSA-N 293.476 4.635 30 10 CJEE C=CCC(CC=C)Sc1cccc(CNC(C)(C)C)n1 2360374240 HRNRNVZYUYADNH-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE C=CCC(CC=C)S[C@H](C)C(=O)c1ccc(F)c(F)c1 2360375109 NLCDQZHRNUULQX-LLVKDONJSA-N 296.382 4.790 30 10 CJEE C[C@@H](C#N)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 3643754 RBGOLZYAUJDSGL-JTQLQIEISA-N 282.730 4.775 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)s1 14456369 RCFMVVTZNHLKTO-DDUZABMNSA-N 292.407 4.755 30 10 CJEE CCSc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 37779182 SIAWGINQTYBFQE-ZDUSSCGKSA-N 282.412 4.843 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1cccc2ccccc12 37937029 VOZUILPUHYCFME-SFHVURJKSA-N 276.314 4.656 30 10 CJEE SCCCCOc1ccc(Oc2ccccc2)cc1 41411481 XZOYGYCFAGOZRL-UHFFFAOYSA-N 274.385 4.568 30 10 CJEE N#CCc1ccc(C(F)(F)F)c(-c2ccccc2F)c1 47205210 KIYPLVNFSMPQTI-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CCCN[C@@H](CC)c1cccc(-c2ccc(C#N)s2)c1 50266957 DSYGEAHDJVPINW-INIZCTEOSA-N 284.428 4.737 30 10 CJEE N#C[C@H](Cc1ccccc1)c1c(Cl)cccc1Cl 57722824 UPKHRBFCUFYBJO-LBPRGKRZSA-N 276.166 4.843 30 10 CJEE O=C(ON=C1CCC(c2ccccc2)CC1)c1ccccc1 59505344 VRGLPBAQTIJDCR-UHFFFAOYSA-N 293.366 4.557 30 10 CJEE C[C@H](C[C@H](O)C1(C#N)CCC(C)(C)CC1)c1ccccc1 91884487 GTKNEBRNKKECJB-WBVHZDCISA-N 285.431 4.651 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 97419655 FPZPPCWTWYEFJQ-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CCCCCCCO[C@@H](CNCC)c1cccc(C)c1 110067801 DSFSNOSXSFNDGK-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCc1ccc2oc(C#N)c(-c3ccccc3)c2c1 110162468 UWOYOBCPBNIPBK-UHFFFAOYSA-N 261.324 4.924 30 10 CJEE CCCCCCCOCc1ccc(CNC(C)C)cc1 110170254 DTCOCUPILPGCNB-UHFFFAOYSA-N 277.452 4.672 30 10 CJEE Cc1cccc(Nc2ccc(Cl)cc2C#N)c1C 110253278 JGVFDMVJKVBVBU-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1nc(C)cc(C)c1C#N 110261330 BOJIWKLDEMXKPN-GFCCVEGCSA-N 280.371 4.876 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CNC(C)C 111610534 PAXXGIVIDNLZHL-IBGZPJMESA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](N)C(CC)(CC)N(CC)CC 118169911 MLLPGPYFHTYQLW-QGZVFWFLSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1cccc(C)c1 118843415 BWTCBNURPKHNRB-MRXNPFEDSA-N 262.393 4.914 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](OC)C(C)C 122703436 MAQMMZOAXHBWJN-CVEARBPZSA-N 258.446 4.549 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CCN)C1 125530841 DKHXKYKCIFWLSR-GOSISDBHSA-N 282.516 4.578 30 10 CJEE Cc1cc(F)ccc1CC1(C#N)CCC(C)(C)CC1 128624133 OBEFXLNOSZTDSA-UHFFFAOYSA-N 259.368 4.787 30 10 CJEE CCCCCCCCO[C@H]1CCC[C@](C#N)(NC(C)C)C1 129661108 APPQANXAMSAKET-ROUUACIJSA-N 294.483 4.566 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)Nc2ccc(F)cc2)CC1 130046451 SEYFNQFITRBPHW-MQBCKMQZSA-N 288.410 4.982 30 10 CJEE CCCCCCCCNc1cccc(F)c1[N+](=O)[O-] 132223234 FIDXFGYORJAPMW-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE Cc1cc(Nc2ccc3sccc3c2)ccc1C#N 133466077 ZEGOGHMVGMWHQF-UHFFFAOYSA-N 264.353 4.825 30 10 CJEE C[C@H]1/C(=C/c2ccc(Cl)cc2)C(=O)[C@H]2C[C@H]1C2(C)C 136960080 UEBBGXDEQGNQRK-ZFVQLFSPSA-N 274.791 4.605 30 10 CJEE CCn1c(-c2ccc(Cl)c(C)c2)nc2cc(C#N)ccc21 138488272 VXBDOFFTIYJYGY-UHFFFAOYSA-N 295.773 4.557 30 10 CJEE CCCCCCCCN[C@H]1Cc2ccc(Cl)cc2C1 160814166 WUORECJAWXFZOM-KRWDZBQOSA-N 279.855 4.757 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cc(F)cc(Cl)c1 161090535 JFCIUTQLZINUMV-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCCOc1c(C)cccc1CN 165071237 QBAVMNGAPAYBMB-UHFFFAOYSA-N 277.452 4.973 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)c(F)c1 168246398 DNWOSEOZVNMJAF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CSc1cccc(NCCCC2CCCC2)c1C#N 225324326 XJEOSSFLCBOADY-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCCN1C 226051931 HTUHNKDRUUMDGY-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCCCN1 226520340 MHJRVYPHWPBBRR-INIZCTEOSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCCn1cc(Cl)cc1C(=O)O 229631908 JGJJGQNIFYLARZ-UHFFFAOYSA-N 285.815 4.980 30 10 CJEE C=C(C)[C@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229750081 NXFZHDDSVNIMIA-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C)c(Cl)c1 229758334 RBOFDFYVBYTQMO-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CC[C@H](C)c1ccc(OCCCC(C)(C)C#N)cc1 232342471 GBJJLPJAJBOYJZ-AWEZNQCLSA-N 259.393 4.909 30 10 CJEE CCCCCCCCCN[C@H](C)CC(F)(F)F 232949259 BUBKOEAFUHUBDE-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE C=CCCCCC[C@H](NC)c1nccc2ccccc12 234445351 OKGSBDAAPZHRGM-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C 251823732 ZVCIBKCIARTHPL-FIXISWKDSA-N 296.336 4.814 30 10 CJEE Cc1ccc(-c2cc(Br)c(C#N)s2)cc1C 259337570 XWBXIGHUYSBQLV-UHFFFAOYSA-N 292.201 4.666 30 10 CJEE Cc1ccc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)c(Cl)c1 300250900 XCAHWYNZLAFFGJ-DUVNUKRYSA-N 259.780 4.521 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)c3ccccc32)c1 308158830 VWUJSCAKHKVBFO-FZKQIMNGSA-N 262.356 4.527 30 10 CJEE N#CCCc1csc(CSc2cccc(Cl)c2)n1 310730401 WATBCZDHZCXXAU-UHFFFAOYSA-N 294.832 4.545 30 10 CJEE C=C([C@H](NCC)c1c(Cl)cccc1Cl)C(F)(F)F 310997045 IWLRGWXRACOIDO-NSHDSACASA-N 298.135 4.763 30 10 CJEE C=CCCCCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 312437957 BFIXZPBGWDZZLT-YTQUADARSA-N 271.448 4.905 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCc2ccc(Cl)cc2)C1 317400039 LCKQVHQMITWWLI-XJKSGUPXSA-N 264.796 4.668 30 10 CJEE C=CCC(C)(C)COCc1ccsc1CNC(C)(C)C 378757456 SMWRRSNTNWGOSK-UHFFFAOYSA-N 295.492 4.755 30 10 CJEE C=C([C@H](NCC)c1cccc2ccccc12)C(F)(F)F 380181126 AZYRCSBESOUAAT-HNNXBMFYSA-N 279.305 4.609 30 10 CJEE C=CCCCCCCNc1cccc(OC(C)C)c1N 380629176 TYMUYOUJGXYLRN-UHFFFAOYSA-N 276.424 4.604 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 385006426 WTWCJERPNCSTJU-NSHDSACASA-N 271.326 4.568 30 10 CJEE C/C=C(\CC)C(=O)c1ccc(-c2ccccc2)cc1 388233043 IDAKQOPRRHFYQK-LZWSPWQCSA-N 250.341 4.893 30 10 CJEE C=C(C(F)(F)F)[C@@]1(O)CCCC[C@@H]1C1CCCCC1 388541224 RJAGHWUTZXDZNG-KGLIPLIRSA-N 276.342 4.607 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(C(F)(F)F)cc1 393736801 CFFLPLDCGQUIFZ-FZMZJTMJSA-N 271.326 4.711 30 10 CJEE CCCCCCCCCC[C@H](CCN1CCCC1)NC 395885936 XGEJZSQMYNHKPW-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCC(=O)C12CCC(N)(CC1)CC2 404368024 NHQFUWXKUOVHRI-UHFFFAOYSA-N 279.468 4.748 30 10 CJEE N#CC1CCC(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 442872523 IDRSNEBENIJQAE-OTGCGEFBSA-N 296.458 4.632 30 10 CJEE Oc1ccccc1/C=N/[C@@H]1[C@H]2CCC[C@H]1C1=C(CCCC1)C2 503996416 USZLVICCEDTGEY-HMDNEBRLSA-N 295.426 4.870 30 10 CJEE C=C(Br)CSc1ccccc1C(F)(F)F 687808870 NDAOAGAZUXUBJC-UHFFFAOYSA-N 297.139 4.706 30 10 CJEE C=CC[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688344436 DXOOLDHVYOQTDB-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1C#N 691050982 BMTUSMLZGPTQIL-IUODEOHRSA-N 276.811 4.982 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]12CCCC[C@H]1C2 693186643 VLIJJQIQRJPZFU-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CCCSCCN[C@H](C)CC(C)(C)c1ccccc1 696087690 ZNXGDBAQFLDCND-MRXNPFEDSA-N 291.504 4.642 30 10 CJEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCC1 698465705 SBJGITHLOTZTSY-UHFFFAOYSA-N 294.439 4.639 30 10 CJEE CCCCCCC[C@@H](Cc1csc(C2CC2)n1)NC 698892105 FSWZMODPWOQFAS-AWEZNQCLSA-N 280.481 4.512 30 10 CJEE Cc1ccc(CSCc2ccccc2Cl)cc1C#N 701881249 SCLXNJQZCZDWTN-UHFFFAOYSA-N 287.815 4.954 30 10 CJEE CCCCCCCNc1ncc(C)cc1Br 703743491 HGPGKXTVQWROMO-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1CCCC[C@@H]1CC 704006565 UVNDDINWZAOPAR-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(OC(C)C)c1 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C=CCCCCCCC[C@@H](N)CC1(CSC)CC1 2220080994 AKZPJFDEQKXYHL-OAHLLOKOSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCSc1ccc(C(=O)O)o1 2220093866 SRMYVRIKOQARIV-UHFFFAOYSA-N 268.378 4.597 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)CC1(F)CCCCC1 2223585670 GJJWVCZLHZAPQX-GJZGRUSLSA-N 255.421 4.629 30 10 CJEE CC1(C)CCC2(CCCN2CCCCCCS)CC1 2224831364 QGNNZLMETSZUTC-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@]1(C)CC=C(C)CC1 2229057334 JVNSEKUVQUHAJB-SJORKVTESA-N 266.473 4.705 30 10 CJEE O=CC1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCSCC1 2230718603 WRBUOTKNWMRJLA-PMPSAXMXSA-N 280.477 4.695 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2sccc12 2231035471 MSWMXGTWIOXXEE-SNVBAGLBSA-N 296.823 4.858 30 10 CJEE C=C(C)CCOc1cccc(Cl)c1CN[C@@H](C)CC 2231564650 KUGBDKWFDOWIKJ-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCC[C@@H](N)c1ccc([C@H]2CCOC2)s1 2231737362 BSHCHIGDROYWSD-UONOGXRCSA-N 281.465 4.612 30 10 CJEE CCCCCCCC[C@H](C)NCc1ccncc1Cl 2231928806 MEYSDIJYWFJILT-AWEZNQCLSA-N 282.859 4.964 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)CSc1cccc(C)c1 2233782630 OYERESUIMZPMSG-MRXNPFEDSA-N 289.488 4.505 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](CCCCC)c1ccccc1 2234695456 WQNWVYUKDQRRJG-RTBURBONSA-N 271.448 4.946 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](CN)CC(C)C 2235517928 BJQJVVSJHUAILO-QZTJIDSGSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cc(C(F)F)n[nH]1 2235524043 LXHOLZHOMXYLOB-GFCCVEGCSA-N 285.382 4.525 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1CCCOC1 2235538334 HTOWZQRWGGAQGC-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(C(C)(F)F)CCC1 2235539126 NJWXJCABSVVSAV-CQSZACIVSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](O)c1ccc(C)s1 2235542412 RXVBPBJKUNIVCE-NVXWUHKLSA-N 295.492 4.595 30 10 CJEE C=CCCCCCCC[C@H](O)COc1cccc(Cl)c1 2235542593 UKZZMVGLGGJANJ-INIZCTEOSA-N 296.838 4.996 30 10 CJEE CCCCCCCCCCN1CCC[C@H](OC(F)F)C1 2235675129 ZLILMABWPSBMPL-HNNXBMFYSA-N 291.426 4.831 30 10 CJEE C=CCCCCCCCN(C)C[C@]12CCC[C@H]1CSC2 2235786386 YEAZVIQSAXDPJE-ROUUACIJSA-N 295.536 4.978 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2239154841 ZPUUPZUOTIXTAA-UONOGXRCSA-N 283.406 4.536 30 10 CJEE CCCCCCCCCCCOCC=C(C)C(=O)OC 2239498198 IRZDZIDAIKFRKJ-UHFFFAOYSA-N 284.440 4.653 30 10 CJEE C[C@@H]1CC[C@](C)([C@H](O)C#Cc2cccc(Cl)c2)C1(C)C 2239561388 CWWVBQIHCQKNLY-MZMPZRCHSA-N 290.834 4.515 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1csc(C2CCC2)n1 2240104492 OOLHCCDTCKXKAV-KBPBESRZSA-N 292.492 4.534 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)CC1(CC)CC1 2240572608 JGLRYXULRFOSHM-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]1(O)CCC[C@@H](C)C1 2240646392 AGWQABNWRCLLEK-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)C1CC(C)(C)C1 2240651909 YTJFBYRQYJPCCY-FUHWJXTLSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@]1(C)CNCC2(CCCCC2)O1 2240658485 SZJINXVUGREEPJ-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C=CCN(Cc1ccccc1)CC1(C)CC(C(F)(F)F)C1 2241264132 NFPMLMUDKVLNRT-UHFFFAOYSA-N 297.364 4.653 30 10 CJEE C=CC[C@H](C)c1sc(Br)c(C)c1C 2241373627 UENIQPNWBRMLDX-ZETCQYMHSA-N 259.212 4.807 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2cocc2Br)CC1 2249441351 WYSFYJANRZBMEF-JTQLQIEISA-N 297.192 4.607 30 10 CJEE C=CCCSc1c(Cl)cccc1CNCCC 2250016292 LMHQULHOOONGSC-UHFFFAOYSA-N 269.841 4.508 30 10 CJEE CCCCCCCNC[C@@H]1CC[C@H]2C[C@H]1C2(C)C 2258140294 GZROSZZOBXFFLO-HRCADAONSA-N 251.458 4.619 30 10 CJEE C=CCCCSc1ccc(Cl)cc1CNC(C)C 2259057853 HZOPVROSWBCWAE-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2259234539 DKEQIUJVJNXKDD-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CCCC[C@](C)(C#N)CC1(CSC)CC(F)(F)C1 2260972694 FLCRHJUPOIVFSW-LBPRGKRZSA-N 275.408 4.875 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)C1(F)CC1 2263713282 RHMLZKSADWUTGZ-LSDHHAIUSA-N 257.437 4.996 30 10 CJEE CC(C)CNC[C@H](C)[C@H](C)CC=CC#CC(C)(C)C 2268725864 JKILDGRCZXFARL-SJORKVTESA-N 263.469 4.500 30 10 CJEE CCCC[C@](C)(CC=CC#CC(C)(C)C)CNCC 2268738529 WFKQQZMZKSXAPR-GOSISDBHSA-N 263.469 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)C1(C)CCCCC1 2268741051 DVOLRPRUSVDWDQ-GOSISDBHSA-N 261.453 4.670 30 10 CJEE CCC1CCC(C(=O)CC=CC#CC(C)(C)C)CC1 2268748603 RIQYKSFSSIITNX-UHFFFAOYSA-N 260.421 4.768 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(Cl)c(Cl)c1 2268752516 LRHIBOYWLURHAJ-OAHLLOKOSA-N 296.241 4.989 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C[C@]1(C)COC 2269285804 UAAUMOSFWFVSIA-ZACQAIPSSA-N 270.457 4.551 30 10 CJEE C=CCCCS[C@@H]1CCCCC2(CC2)[C@H]1NCCC 2271492109 MTXJYMMGNXOQAK-CVEARBPZSA-N 281.509 4.777 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(C)cc1 2271497166 FLZDVHALQHMKSC-KRWDZBQOSA-N 277.477 4.735 30 10 CJEE C=C(C)CCCC[C@]1(CNC2CC2)CCS[C@@H](C)C1 2271751230 VKFLBDPKXFUHAN-RDJZCZTQSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(F)(F)CC[C@@H]1NCC 2271791699 OAQDUHMARXLTHO-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NC)c1coc2ccccc12 2271837919 ZEPWVGJDJKTOML-INIZCTEOSA-N 257.377 4.830 30 10 CJEE CC[C@@H]1CCC[C@@H](C(=O)CC#CC2CCCC2)CC1 2274135894 HAHGNYUCFNGWDV-NVXWUHKLSA-N 260.421 4.746 30 10 CJEE CCCCCCCCC[C@]1(C)CCC[C@@H](CNC)O1 2278170526 CHNPAIXAXCVNIP-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@@H]1CCCCC12CC2 2279518857 ACVRBPPMXOGXGO-DLBZAZTESA-N 275.480 4.765 30 10 CJEE C[C@H](Nc1c(F)cc(Cl)cc1F)c1ccc(C#N)cc1 2281538628 NUHVEYMDZKQPKG-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(F)c(Cl)c1F 2284085542 FVKMHWJBHDXOKN-ZDUSSCGKSA-N 297.776 4.614 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C=O)CCOC12CCCC2 2284925365 GNUPLQNTHGYOBZ-IXDOHACOSA-N 278.436 4.511 30 10 CJEE CC(=O)c1ccc(Oc2ccc(C#N)c(Cl)c2)cc1C 2285143553 IVUXAIHOMTXONQ-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE C=CCCSC[C@@H](N)c1ccc(-c2ccccc2)cc1 2287195948 SGJCVRNHGJJGQJ-GOSISDBHSA-N 283.440 4.663 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H](CC(C)(C)C)OC)C1 2287230735 MJGHLKSTYJMKDQ-KLHDSHLOSA-N 297.508 4.889 30 10 CJEE C=C(C)CCCC[C@H](NN)c1ccc(C(C)(C)C)cc1 2287404659 ZUTAXKLTNVFYPP-KRWDZBQOSA-N 274.452 4.625 30 10 CJEE C=C(C)CCCCOc1ccc([C@H](C)NCC)cc1C 2287469127 CJTXXJHCJVLWPG-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](N)[C@H]1CC 2288896344 UANNERSWGHKIKF-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE N#Cc1cccc(Nc2cccc(C3CCCC3)c2)c1 2289293263 YPNHBBHDLMPMFR-UHFFFAOYSA-N 262.356 4.959 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cccc(SC)c1 2289616922 PFMSPJNEEIRCSP-GOSISDBHSA-N 287.472 4.643 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)C1CCC1 2292803303 XYNHBGRINIXWCP-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CC#CCC[C@@H](CCCCCCCCC)OCCCN 2293197383 USOFHSIXOWEXPU-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCC1(OCCCN)CCC2(CCC2)CC1 2293300841 LBLOPXAJSCMTIE-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@@H](CC1CC(=C2CC2)C1)OCCN 2293615773 ALQOWZXJVXBUKX-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC12CC2)OCCCN 2293627458 TUFZIUPKBADWFC-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cc(C)ccc1F 2293765858 WGPCBHYGTQVUOX-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=C1CCC(C[C@H](OCCCN)c2csc(C)c2)CC1 2294111838 UIKZPXYKTQSMDJ-KRWDZBQOSA-N 293.476 4.600 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H]1C1CC1)OCCN 2294113519 IVCAIXUJBIBZME-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CCC[C@H](C)[C@@H](CCC1CCCCC1)OCCCN 2294220911 HSHANXQMVQGLOJ-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=C([C@H](OCCCN)[C@H]1CCCC[C@@H]1CC)C(C)(C)C 2294255185 IZNVXCYYMNHUES-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CCC[C@@H](C)C1 2294292941 NUSRWPPNWSUCLU-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCC[C@H]1[C@@H](C)N 2295533802 KUXNQASAQVWMLW-KSZLIROESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1[C@@H]2CCCO[C@H]21 2295687417 UFZCDLFHKWZZAS-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCCC[C@H](CC)CS[C@@H](C)C[C@](C)(C#N)NCCC 2295712161 VCJDONAONZWFCJ-YESZJQIVSA-N 298.540 4.996 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C1CCC1 2311464152 MYGJFKXJOGHCOB-GVDBMIGSSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2312902734 HFNWQAGBBDZMPH-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@](C)(CC)C(F)F 2315001445 ISWWIEYHTXXUIE-GZBFAFLISA-N 261.400 4.638 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)c1ccc(Cl)cc1 2321754938 LGGIFVXLXWDOGO-UHFFFAOYSA-N 283.868 4.512 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2325257694 ALRLCMJRRPTNET-YMTOWFKASA-N 289.177 4.680 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCc1ccc(Cl)cc1 2327166277 RAAIUPZTEHVEOE-OAHLLOKOSA-N 286.868 4.839 30 10 CJEE CCC(CC)CN(CC)C[C@@](C)(CS)C(C)(C)C 2327290142 IFBUKVDXQLHYEB-INIZCTEOSA-N 273.530 4.727 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 2332224395 BKFAELATVFVVLE-TZNCUMHOSA-N 263.469 4.761 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2338739757 YTGFCMKDMKVJPC-BZSNNMDCSA-N 261.453 4.559 30 10 CJEE CCCCCCCCCC[C@@H]1CCn2nccc2N1 2339935722 SKQGKCMQOZLZMS-OAHLLOKOSA-N 263.429 4.598 30 10 CJEE CCCCCCCCCCOC[C@@H](N)CCC1CC1 2340708157 XUWMFGBSJKEVCP-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CCCCCCC[C@H](CCCCOC)NCCC 2341087076 LQBZBFCHLQCVSZ-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC(C)=C(C)C1 2343471158 QUJOWPHMOMPICZ-KSZLIROESA-N 261.453 4.847 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc2ccccc12 2344338205 XMRDOVPKCKIBQT-QZTJIDSGSA-N 253.389 4.832 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1cccc(Cl)c1C)NC 2344338294 YJAKXAQBPHFVNN-IRXDYDNUSA-N 279.855 4.771 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC2(C1)CC(C)(C)C2)NCC 2344345096 LLWZJMPFNDPXNW-ZBFHGGJFSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CCCC2(CC2)C1)NCCC 2344386827 ZDRUGVDHDACRAQ-YESZJQIVSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccccc1C1(C)CC1 2344466090 FQMITEWCOXTKGE-DLBZAZTESA-N 258.405 4.764 30 10 CJEE CSc1cc(N[C@H](C)c2sccc2C)ccc1C#N 2353831180 IIKCHMSHDXLPIM-LLVKDONJSA-N 288.441 4.823 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1C[C@H]1c1ccccc1)NCCC 2357774160 SCBXCBXLOQWWRG-YSHGAJCASA-N 271.448 4.761 30 10 CJEE C=CCCCCCCCN1C[C@H]2C[C@@H](C(F)(F)F)[C@H]2C1 2359243848 IMJPCJDNYYOXNG-QLFBSQMISA-N 289.385 4.643 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)OCC(=O)O 2359951133 PMABTEPQWHQSIW-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CCC2)CC[C@@H]1NCC 2360206518 YEMUPSROQNJDHJ-DLBZAZTESA-N 293.520 4.941 30 10 CJEE CCC#CC[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219815 NJIYSMFWSDGZFZ-INIZCTEOSA-N 293.838 4.501 30 10 CJEE O=C1/C(=C/c2cccc(Cl)c2)CC[C@@H]1C1CCCC1 247533 CRRLBOLHOXGXHB-HFQYIWAZSA-N 274.791 4.893 30 10 CJEE Cc1ccccc1-c1nc(-c2ccc(C#N)cc2)cs1 18941335 LPCCJLPOXSSRLS-UHFFFAOYSA-N 276.364 4.657 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 21499690 DBXHADWELHRMAU-HZPDHXFCSA-N 256.393 4.575 30 10 CJEE N#Cc1cnc2ccccc2c1Sc1ccc(F)c(F)c1 36913512 NUBVGGAXNQLBOC-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)c(C)o1 36973489 SGDZBOAHDAFCMZ-SNVBAGLBSA-N 274.751 4.595 30 10 CJEE C=C(C)Cn1c(Cc2ccccc2Cl)nc2ccccc21 40225627 NFNLPYMHAIKXON-UHFFFAOYSA-N 296.801 4.857 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1Cl 54823264 MFNQTBBBFBYPDG-MFKMUULPSA-N 283.202 4.878 30 10 CJEE CC(C)c1ccccc1N[C@H]1CCCCC[C@@H]1C#N 54823410 YQXZRMLXWIEFMV-ZBFHGGJFSA-N 256.393 4.694 30 10 CJEE CCCCCCCOc1ccc(C)cc1[C@H](C)NC 59295520 RTOPEQITKLYXJW-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE CCCCCCCC(=O)Nc1ccccc1[C@H](C)NCC 59295590 LIWQMMVDVCJYON-HNNXBMFYSA-N 290.451 4.656 30 10 CJEE CCc1ccc([C@H](C)Nc2cccc(Cl)c2C#N)cc1 70138464 ODPMCXNDSBFYIG-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE C=CCCC[C@@H](Cc1ccc(C)c(C)c1)NCCC 71277240 NSRQECDXAOTTLK-SFHVURJKSA-N 259.437 4.570 30 10 CJEE Cc1cc(C)c2c(C#N)c(Cl)n(Cc3ccccc3)c2c1 71465837 ZPOUBAHXOLJNNS-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@H](CCC)CC2)c1 86921945 KCMXVXFMFBUBDP-IRXDYDNUSA-N 255.405 4.829 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@]2(O)CCCC(C)(C)CC2)C1 91903344 LQJLNKRWSZANEK-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1(CS)CCC1 94583783 UOLFUEMWBKLCBG-QLFBSQMISA-N 270.482 4.564 30 10 CJEE CCCCc1ccc(Nc2cc(C)ccc2C#N)cc1 110254330 CABAQSVBHUGKAM-UHFFFAOYSA-N 264.372 4.953 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)c1ccc(C#N)cc1F 110258460 BDIJAERQCXVRMU-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCCCCn1cc(CNCCC)c(C)n1 112932762 DQYJWZWRZITEKJ-UHFFFAOYSA-N 293.499 4.832 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(F)c(C)c1 114974014 GITZQONOOMDXLG-OAHLLOKOSA-N 251.389 4.803 30 10 CJEE CCCCCCCCc1noc(N)c1-c1cccc(F)c1 115858527 XTAKJQAKHLSJPK-UHFFFAOYSA-N 290.382 4.966 30 10 CJEE CCCCCCCCn1ccc(CNC(C)(C)C)c1 117986330 BGEAFWTVMLAJAQ-UHFFFAOYSA-N 264.457 4.737 30 10 CJEE CCCCCCCCC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 118183595 GOIBTNXYDQZIDV-AEFFLSMTSA-N 281.484 4.817 30 10 CJEE CCCCCCCOCC[C@@H]1CCC[C@@H]1NCCC 118779326 DQQSUVBBPHBENN-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](CN)c1cccc(Br)c1 118820217 XXPPCBSGGPMIJW-AWEZNQCLSA-N 298.268 4.852 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(OC)cc1C 124827896 BXCPXPIPLXQCLA-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CSCCS1 125137034 YVANJZPFFVQUIJ-CABCVRRESA-N 290.538 4.727 30 10 CJEE CCCCCCCCCCN1CCc2ccc(N)cc2C1 128678066 ZTTBSEFKXIOXOS-UHFFFAOYSA-N 288.479 4.768 30 10 CJEE CCCCCCCCCOc1ccc(C[C@@H](C)O)cc1 132093096 RQJMYCHICLSAOI-MRXNPFEDSA-N 278.436 4.739 30 10 CJEE CCCCCCCCOc1ccncc1Br 135106108 GWLKAQLZZXTUOS-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE N#Cc1ccc(Nc2ccc3sccc3c2)cc1F 135259268 YRYCNBCZSZSDCT-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE CCCC1CCN(c2cccc(SCC)c2C#N)CC1 136656663 JQUZCFKAEJEEKL-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE CCCCCCCCCC[C@H](N)c1c(C)nn(C)c1C 143441820 PVIOEURBOLILQD-INIZCTEOSA-N 279.472 4.568 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1F 160698893 RZNSJCUNQISDTL-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CC[C@H](C)c2ccccc21 163865243 GGWPDRZHFRWTOY-IFXJQAMLSA-N 276.383 4.723 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)[C@H]1C 166727389 WSRINAQJFOSIME-GQLSEVEHSA-N 290.495 4.707 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cnccc1C 167998291 YXYQZDALRGVGND-QGZVFWFLSA-N 262.441 4.921 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN2CCC[C@@H]21 168255910 NHJNUJKOYOHODD-MOPGFXCFSA-N 295.511 4.897 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 184868941 XLWHOWHAFVAQPN-VIFPVBQESA-N 272.175 4.534 30 10 CJEE CCCCCCCC(=O)Cc1cccc(Cl)c1F 213753926 DNRYMENMZKWYAS-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC3(CCCC3)CC2)C1 222808481 UWWSRJZDUDJNJU-SQNIBIBYSA-N 288.479 4.751 30 10 CJEE N#Cc1ccc(NCCCCc2ccccc2)cc1Cl 228436702 IOCRJXJLSYWXIN-UHFFFAOYSA-N 284.790 4.646 30 10 CJEE CCCCCCCC[C@H](Cc1nccn1CCC)NCC 228652017 GDIDTLIKUHKOQF-QGZVFWFLSA-N 293.499 4.564 30 10 CJEE CCCCCCC[C@H](NCC)c1cncc(OCCC)c1 229124256 QBNMYQFSDIXEKG-SFHVURJKSA-N 292.467 4.882 30 10 CJEE CCCOc1ccc(Cl)cc1NCC(C)(C)CCC#N 229690914 KXZZRJMOUGEECX-UHFFFAOYSA-N 294.826 4.871 30 10 CJEE C=CCCCCCC(=O)[C@H]1[C@H]2c3ccccc3CC[C@H]21 232564791 CZDFZDZUOVJOCC-NEWSRXKRSA-N 268.400 4.668 30 10 CJEE CCCCCCCC[C@H](NN)c1scc(C)c1Cl 232966239 HDEXHNVAVKGMON-LBPRGKRZSA-N 288.888 4.965 30 10 CJEE C=CCCCCC[C@@H](NC)C12CC3CC(CC(C3)C1)C2 234446192 TUMUYDWHQJLCRB-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)cc1Cl 235910530 KSTNCYXPBNBDCZ-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@H]1CC(C)C 250841940 YCLJJSGXJYFRGH-RTBURBONSA-N 296.543 4.691 30 10 CJEE CC(C)(C)[C@@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251149584 KYBJGZSWCNJYLO-VWPFQQQWSA-N 284.509 4.810 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@H](C#N)c2cccc(Cl)c2Cl)C1 251741177 CTVYIMGHPNKSST-UHIISALHSA-N 297.229 4.536 30 10 CJEE CC[C@@H]1O[C@@H]1[C@H](C)Cc1ccc(OCc2ccccc2)cc1 251806136 YNKGLMHHOSOQDU-UIAACRFSSA-N 296.410 4.622 30 10 CJEE CC#CC[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 252907449 WLZHRMIEMXUUET-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE Cc1cc(N=Cc2cccs2)ccc1Br 254394326 NVZSWVAUTFMQOV-UHFFFAOYSA-N 280.190 4.570 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2C)C1 300516993 JYHLYABJDJUHOQ-KBRIMQKVSA-N 291.822 4.792 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(F)ccc1Cl 311214160 MKPPSZYDGBTYGK-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCc2sccc21 312344827 RKPSNXSZYGSQAA-GDBMZVCRSA-N 289.488 4.586 30 10 CJEE Cc1nc(Sc2cc3ccccc3[nH]2)c(Cl)cc1C#N 312892163 IGGSSSINBOMOSJ-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc(C(C)(C)C)cc1 316807035 PMCGSQGZPPSWHN-KXBFYZLASA-N 272.432 4.922 30 10 CJEE N#C[C@@]1(CC/C=C/c2ccccc2)C[C@H]2CC[C@H]1C2 323604663 QSKJHBGHNNLZEQ-MNNFDNTKSA-N 251.373 4.810 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](O)CC1 378785074 KWBMHORWKMOWLG-GOSISDBHSA-N 283.500 4.754 30 10 CJEE C=C1CCN(c2cccc(Cl)c2[C@@H](C)NCCC)CC1 382594574 JMDXKWHRYAVMAM-CQSZACIVSA-N 292.854 4.557 30 10 CJEE C[C@H](CCS)CCN(Cc1ccccc1)[C@H](C)C1CC1 385858102 IMCADPLJLRLHBU-JKSUJKDBSA-N 291.504 4.633 30 10 CJEE N#CC1([C@@]2(O)CCCC23CCCC3)CCCCCCC1 392945187 TZMOFTAKGNJKFG-GOSISDBHSA-N 275.436 4.716 30 10 CJEE N#CCc1ccc2cc(C(F)F)sc2c1Cl 396186710 GVNMTQUSUALBNI-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)Nc1cccc(SCC)c1C#N 398044504 AMZMVZYFAWLUQW-ZDUSSCGKSA-N 274.433 4.827 30 10 CJEE C=CCCCCC[C@@H](CC(C1CC1)C1CC1)NCC 400872902 SBWYHFVIOLPMFM-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE CCc1ccc([C@H](CC)NCC2CCC(C#N)CC2)cc1 442866674 JDYBBUPKLQJEMJ-TVPLGVNVSA-N 284.447 4.620 30 10 CJEE CC(C)(CC(=O)C1=CCCCCC1)c1ccccc1 686731649 MAAXBUOUMNCSMG-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCC2)CCS1)c1cccs1 687325659 JJAMEVJVJWCOHA-GFCCVEGCSA-N 294.489 4.595 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CCCC[C@@H]2O)C1 688340463 YGXSZTSFQRSGAU-GJZGRUSLSA-N 277.452 4.674 30 10 CJEE CCC(F)(F)C(C)(C)CC1(C=O)CCC(C)CC1 691809215 WOLQDZFFNIUJRG-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 692253241 QEFKKGYVAYKRDJ-YPMHNXCESA-N 294.782 4.795 30 10 CJEE CC(C)(COc1cc(Cl)cc(C#N)c1)CC(F)(F)F 694094010 JPNRYMFWOHJZJF-UHFFFAOYSA-N 291.700 4.569 30 10 CJEE C=CCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 695050716 WFIRATXGDXSQCP-GFCCVEGCSA-N 277.717 4.715 30 10 CJEE C=CCCSCCN[C@H](CCCC)c1ccc(F)cc1 696094821 GPQGUAYRFAADMK-QGZVFWFLSA-N 295.467 4.956 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@H]3CC)C[C@@H](C1)C2 697305139 SWXHRDAHFKCZCB-JILJLDPQSA-N 261.453 4.680 30 10 CJEE C#C[C@@H](N[C@@H](CCCC)c1ccc(F)cc1)C(C)(C)C 702250793 MJHYFVYQYVNUDX-DLBZAZTESA-N 275.411 4.695 30 10 CJEE CCCCCCCNCc1ccc2nc(C)ccc2c1 703708312 HUNQOFAGMISHKA-UHFFFAOYSA-N 270.420 4.603 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1/N=C1/N[C@@H](C(C)(C)C)CS1 703728154 XKOQUBTZRQJYHE-KBUPBQIOSA-N 296.524 4.554 30 10 CJEE C=CCCC(C)(C)CNC1C[C@H]2CC(=C)C[C@H](C1)C2 704004975 BPSMPKMQZMLAEI-HOTGVXAUSA-N 261.453 4.703 30 10 CJEE CCCCCCCC[C@H](N)C[C@H](C)C(F)(F)F 705472187 ADDBGZICIPUCRB-RYUDHWBXSA-N 253.352 4.653 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1CCC2(CCC2)O1 717668591 DHOKEFMTZZJVNW-DLBZAZTESA-N 282.468 4.980 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1ccc(CC#N)cc1 719217171 ZXYNCWTXKPJHKU-INIZCTEOSA-N 256.393 4.523 30 10 CJEE C=CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 722130159 YEOGDLLHOOXQCA-OAHLLOKOSA-N 286.246 4.870 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@H](C(C)C)CC2)CC1 724441128 QYPJAXHXDXZCKT-ZWKOTPCHSA-N 263.469 4.927 30 10 CJEE C=C1CCC(CN[C@@H]2CCCCC[C@H]2C(C)C)CC1 724450812 AROTYOZNSRUTSG-ZWKOTPCHSA-N 263.469 4.927 30 10 CJEE C=CCC1(CNC(=O)C[C@H](CC)CCCC)CCCC1 1128862530 YRNPQVNWEKDFBQ-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@H](C)C1CC1)c1ccccc1 1132948867 MGVXFTCZUVZYJN-YJBOKZPZSA-N 285.431 4.636 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](CCC)C(C)C)c1 1134626489 JFQQGRATQLWWAQ-INIZCTEOSA-N 259.393 4.731 30 10 CJEE C=C[C@H](C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 1136344560 KXTNJVUSEGRQHF-KRWDZBQOSA-N 279.383 4.520 30 10 CJEE CCCCCCCN(C)Cc1cc2ccccc2cn1 1139998306 SNDWBWOZQVMWQS-UHFFFAOYSA-N 270.420 4.637 30 10 CJEE C#Cc1cccc(N(CCCCC)Cc2cccs2)c1 1167943520 SCTLSOKAJFLHTJ-UHFFFAOYSA-N 283.440 4.926 30 10 CJEE C=C(C)CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 1168244200 KPQPYGWMFQDOTC-KRWDZBQOSA-N 295.426 4.922 30 10 CJEE C=C(C)CCN[C@H](CC(F)(F)F)c1ccc(C)cc1 1168969218 VKLMRJKLTDXQDL-CQSZACIVSA-N 271.326 4.544 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1181880096 MHPQSWQBWRTJHI-WBVHZDCISA-N 277.839 4.607 30 10 CJEE C=CCCC[C@H](NC1CCSCC1)c1ccccc1 1183550214 IJWGSLIITGXKIP-KRWDZBQOSA-N 275.461 4.569 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc3[nH]c(C)c(C)c3c2)C1 1199844011 VFTIESJOBIEVGH-WBVHZDCISA-N 282.431 4.619 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2CCC3(CC2)CC3)c1 1220337488 QAJWXOHTCPKDHP-UHFFFAOYSA-N 298.430 4.812 30 10 CJEE C=CC[C@@H]1N(C(=O)c2cccc(Cl)c2)CCCC1(C)C 1270793037 NQUSFHGNOLNENT-HNNXBMFYSA-N 291.822 4.547 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc([C@@H](C)CC)c1 1279962485 KOIJHBWWVFNWNV-UONOGXRCSA-N 259.393 4.741 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1280275607 LGLLXNKFVRXQDY-TWMKSMIVSA-N 289.463 4.549 30 10 CJEE C=C(C)COc1cccc(NC(=O)C(CCC)CCC)c1 1359822289 GSKVLAJKNMFNLJ-UHFFFAOYSA-N 289.419 4.796 30 10 CJEE C=C1CCC(CNC(=O)C(CC(C)C)CC(C)C)CC1 1439150467 GEMNDUPZAXIBSQ-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=CCCCCN(C)[C@H](CC)Cc1ccc(C)cc1 1459646854 LHEXKHQDPMYGGC-GOSISDBHSA-N 259.437 4.604 30 10 CJEE CCCCCCCCCCN1CCCO[C@@H](CC)C1 1460008463 WHJHFXJUIXMAJL-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CCCN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1460637055 MAIGJKBBULVUCD-OAHLLOKOSA-N 283.337 4.593 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccccc1 1461716917 CNBKSTKREZRBTA-QRVBRYPASA-N 287.447 4.631 30 10 CJEE C=CCCCN(CC)c1ncc(C(F)(F)F)cc1Cl 1472896220 YDFLANXXNDYJEF-UHFFFAOYSA-N 292.732 4.546 30 10 CJEE C=CCCc1ccccc1NCc1cc(C)oc1C 1474124126 QLSGWGCVSJGWJL-UHFFFAOYSA-N 255.361 4.627 30 10 CJEE C=CCC[C@H](CCC)Nc1cncc2c1CCCC2 1474623701 YYLPCIXYENEQMD-HNNXBMFYSA-N 258.409 4.507 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cccc2ccccc12 1475944540 IQWABNGFHFNKML-UHFFFAOYSA-N 296.414 4.954 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCC[C@H](C)CC1 1478440499 MTFZVVJWYRZBGW-DLBZAZTESA-N 294.483 4.781 30 10 CJEE C=CC1(CC(=O)Nc2ccccc2Cl)CCCCC1 1521615494 PXSNZJWUPVJNHT-UHFFFAOYSA-N 277.795 4.805 30 10 CJEE C=CCN(Cc1cccs1)C(=O)C[C@@H](CC)C(C)(C)C 1531092946 IWAHXZWVIGDUQG-CQSZACIVSA-N 293.476 4.725 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1c(C)ccc2ccccc12 1533468067 GONBGFRRUGFFHY-AWEZNQCLSA-N 268.356 4.656 30 10 CJEE C=CCCCCCCNC(=O)C1(C2CCCCC2)CC1 1544263340 NUPCOWAAXFWTKG-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@H](C)CCCc1ccccc1 1585793287 JXJYGCQRDNXGRN-MJGOQNOKSA-N 299.458 4.603 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCCC[C@@H]1CC)c1ccccc1 1587282771 JBRBCDQRQOJZTI-UAGQMJEPSA-N 272.388 4.673 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C(\C)CC)c1ccccc1 1596613130 OYVATVPLRNUVAZ-IAOULYHDSA-N 271.404 4.557 30 10 CJEE C=C(CC)C(=O)N[C@@H](CCC)c1cccc(C(F)(F)F)c1 1611142750 AAHZXFXSTMBSLF-AWEZNQCLSA-N 299.336 4.629 30 10 CJEE C=CC(C)(C)CCCNc1nc(C2CCCCC2)ns1 1612864523 OQVZIJMZPMWPFQ-UHFFFAOYSA-N 293.480 4.990 30 10 CJEE C=CCOc1ccc(CN(C[C@H](C)CC)C(C)(C)C)cc1 1616215128 MLQNHQUJKNIQIO-MRXNPFEDSA-N 289.463 4.898 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC/C=C/c1ccc(F)cc1 1620967753 YCQXEXMIVDQJTC-CLOLKSBNSA-N 295.401 4.616 30 10 CJEE C=CC1(CC(=O)N2CCC[C@](C)(CCC)C2)CCCCC1 1630102637 PMILUCDKGKDUIV-SFHVURJKSA-N 291.479 4.942 30 10 CJEE C=CCN(CCCSC(C)(C)C)Cc1ccccc1F 1644389543 SKXILYQKVJXJGM-UHFFFAOYSA-N 295.467 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FYTARFNJGKVLHV-CABCVRRESA-N 257.487 4.611 30 10 CJEE N#CC1(c2ccc(F)c(Cl)c2)CC2(CCCC2)C1 2218216901 NEUAAPGZPRXITK-UHFFFAOYSA-N 263.743 4.595 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218348109 DXDWZRVCQUVHHP-FXUDXRNXSA-N 269.860 4.714 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC12CCCC2 2220096787 IVSSZVFRWWUFPB-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1C[C@@H]1CC[C@]1(C=O)CCCC(C)(C)CC1 2220850024 KEXKNTUFXLAKAQ-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE C[C@]1(c2cc(Cl)cc(Cl)c2)CCC[C@H](CC#N)O1 2222039426 JCKVOHLPHNAWLK-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)C[C@@H](C)C1 2223269043 ZPXLGYZGIYYCGH-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE CCCCCCCC[C@](C)(N)CC1C[C@H]2C[C@@H]2C1 2223828006 HPGOADQWVPFPPQ-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@](C)(O)CC1C[C@@H]2C[C@H]2C1 2223831406 HFXBOBGLLKLMTP-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]21 2223855365 XMDCJHFHCYDAAX-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](CCC)OC 2223858450 YTRQIMRTUPDARE-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCC#CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225311384 OGQCYANXSXXPMG-VSZNYVQBSA-N 261.453 4.504 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)CCCC(C)(C)O1 2226837055 CLZODDMWSWBWBE-INIZCTEOSA-N 270.413 4.540 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2227269641 AQKXXSZAFZFNKF-QPSCCSFWSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCCNc1ccc2nsnc2c1 2227272195 MLHJXIQUAKTLLQ-UHFFFAOYSA-N 275.421 4.630 30 10 CJEE C=CCCCCCCCOc1cccc(CN)c1Cl 2227273514 QWUAJKRYJNRWGF-UHFFFAOYSA-N 281.827 4.704 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCO[C@@]1(C)CC 2227291407 QTPNEJLISKYRIL-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC12CC(F)(F)C2 2230692923 NPKVZOXNDXYESA-HNNXBMFYSA-N 272.379 4.844 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(F)cc1Cl 2231484296 RXKHHIBSFADUEU-QWHCGFSZSA-N 283.818 4.602 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@H]1CCCC(C)(C)C1 2231506196 QOOFMTQKEYHXBD-MAUKXSAKSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@@H]1CC[C@H]1OC 2231898080 FIGQXOXOOMLQCI-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CC1(C)CCC2(CCCN2[C@H]2CCCC[C@H]2C#N)CC1 2233066256 ASQRFASDGGNDDR-HOTGVXAUSA-N 274.452 4.504 30 10 CJEE C=C1CC([C@H](CC2C[C@H]3CCC[C@H](C2)C3)NCCC)C1 2233662637 JYPUEGYNUUJOSX-BXWFABGCSA-N 275.480 4.927 30 10 CJEE C=C(CNC[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccccc1 2233719406 SYTYWOQJIWJLTE-PIIMJCKOSA-N 269.432 4.506 30 10 CJEE CO[C@@H]1C[C@](C#N)(CC2C[C@H]3CCC[C@H](C2)C3)C1(C)C 2233738567 VDVUDFGLYRPIDG-KMCQBPLKSA-N 275.436 4.548 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1ccccc1C(C)(C)C 2233790095 HZJOPNYVYRLTQV-KRWDZBQOSA-N 271.448 4.684 30 10 CJEE C=CCCCCCCCCOC[C@H](N)C(C)(C)C(F)F 2234049298 VIZSKWRCIUFLPM-AWEZNQCLSA-N 291.426 4.538 30 10 CJEE C=CCCCCCCC[C@@H](N)C1([C@H]2CCCCO2)CC1 2235523158 BXMNTMOXASYHIB-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCO[C@@H]1CNC2(CCCCC2)C1 2235525176 YKSCFUVLEKWWID-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCC[C@]1(N)Cc2ccccc2[C@@H]1C 2235532093 GXNQGRXSHKFYLV-LPHOPBHVSA-N 271.448 4.960 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cnccc1C 2235532976 PTRRJLQBFFESEF-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2235535927 RLUKBNMGVSNPBN-HRCADAONSA-N 285.422 4.736 30 10 CJEE Cc1cc([C@]2(C#N)CCCC2(C)C)c([N+](=O)[O-])cc1Cl 2236881701 RLVVBKUYWOZQQW-OAHLLOKOSA-N 292.766 4.528 30 10 CJEE C=CCCC(C)(C)CNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2236956083 NNGCWOUKLKANHS-UHFFFAOYSA-N 296.798 4.961 30 10 CJEE C=CCC(C)(C)OC[C@@H](NCC)c1cc(F)cc(Cl)c1 2237995195 CNWLAYZBXUYKAE-OAHLLOKOSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCCCCO[C@H](C(=O)O)C1CC1 2239493658 VJDKMHPCWGJGHE-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](N)c1ccc(Cl)c(F)c1 2239504699 ZPAMMDFDSFDLDP-CJNGLKHVSA-N 299.817 4.630 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CC[C@H]2C[C@H]1CO2 2240629467 SSHXDWZVVKACJA-XLAORIBOSA-N 282.468 4.693 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1ccc(CC)s1 2240654342 QOUJIBDCXNYNEH-DLBZAZTESA-N 297.508 4.812 30 10 CJEE CC(C)(C#N)CCCCSC[C@H]1CC12CCC2 2246759094 AHUJFNDCPLBENT-CYBMUJFWSA-N 251.439 4.630 30 10 CJEE CC1CC2(C1)CC(C#N)(Sc1cccc(Cl)c1)C2 2254138137 QKGNQJAWSQAHSZ-UHFFFAOYSA-N 277.820 4.905 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CC(F)(F)C12CCC2 2254868362 XNXICPBTYPSKJN-OLZOCXBDSA-N 260.368 4.533 30 10 CJEE CC[C@](C#N)(C[C@@H]1CC(F)(F)C12CCC2)C(C)C 2254973229 GCPXTBKNTWGTIR-CHWSQXEVSA-N 255.352 4.778 30 10 CJEE CCCCCCC[C@H](NCC)c1c(C)nsc1C 2255083483 OIYSLQFEKXJOID-AWEZNQCLSA-N 268.470 4.771 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(C)nsc1C 2255083484 OIYSLQFEKXJOID-CQSZACIVSA-N 268.470 4.771 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CC1CC(C)(C)C1 2256497596 BJQBUBNZBHQKOJ-GOSISDBHSA-N 273.486 4.830 30 10 CJEE Cc1cc(Cl)ccc1NCC=CC#CC(C)(C)C 2256774487 QZFRAUGFEROODF-UHFFFAOYSA-N 261.796 4.666 30 10 CJEE CCCCCCCCCCN1C[C@H]2C[C@@H]2C1(C)C 2257129292 WUYABXKUAADPBV-CVEARBPZSA-N 251.458 4.857 30 10 CJEE C=CCCS[C@@H]1CCCCCCC[C@@H]1NCCC 2259045221 KPVRWEOLZPSSDS-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCCCCCC)C(C)C 2263718476 RIBHKBYLIFAZNH-DLBZAZTESA-N 251.458 4.763 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(C#N)c(C)c1 2265881748 GZHRTHYSYGOUEX-YOEHRIQHSA-N 256.393 4.556 30 10 CJEE N#Cc1c(Cl)cccc1OCC[C@H]1CCCC12CC2 2266649751 ZKAVBYOFWYNAGZ-GFCCVEGCSA-N 275.779 4.561 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(C)ccc1Cl 2268130362 NGHJERDHVKAHOL-JKSUJKDBSA-N 279.811 4.792 30 10 CJEE CCC1(CC)CSC(=NCC(C)(C(C)C)C(C)C)N1 2268512960 IUFICVLDUJJYLJ-UHFFFAOYSA-N 284.513 4.556 30 10 CJEE N#Cc1c(Cl)cccc1Oc1nccc2sccc12 2268916821 GTFMKDNGDXZVOR-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCCCCC[C@@H](O)c1nc(C)cc2occc12 2268951956 FDNKGBSTJUHKHK-CQSZACIVSA-N 261.365 4.530 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C#N)CCCC2(C)C)c1 2268975843 RPQZHUICFGJYIW-INIZCTEOSA-N 277.795 4.611 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@@H]1C(F)F 2270083173 XXZXXFDTGXECAX-WWGRRREGSA-N 273.411 4.638 30 10 CJEE C=CCCS[C@@H]1CCCCCC(F)(F)[C@H]1NCCC 2271600275 ZNFAMUTYACKDQR-KGLIPLIRSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(Cl)c(F)c1F 2271788226 OHIBYTMUXAQMSW-HNNXBMFYSA-N 287.781 4.929 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)CCOC1(C)C 2272283658 GCGOEQTZTOYGEE-RDJZCZTQSA-N 265.441 4.938 30 10 CJEE CC#CCCC[C@H](NCCC)[C@]12CCCC[C@H]1CC2 2273292982 SCBYXVSBSVNHPM-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H](CC)CCC 2273900929 IJHHNVZZEZXVCL-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCC[C@@H](CCC)OCC(=O)O 2275248934 MQFANOBIHKJFCD-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@](C)(CCCCF)OCCN 2276209288 BHJLWOCVUFNJOR-MRXNPFEDSA-N 275.452 4.611 30 10 CJEE CCCCCCC[C@](CC)(OCCCN)C(C)(C)C 2276774550 WZRYGCFSFATYDO-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)C1(C)CC(C)(C)C1 2277216302 CBZBNQKAJHVJHI-HNNXBMFYSA-N 269.473 4.517 30 10 CJEE CN(CCCCCCCS)CC1C[C@H]2CCC[C@@H]2C1 2277508303 LXBBBLUZKVAXGG-IAGOWNOFSA-N 283.525 4.625 30 10 CJEE C=C[C@H](C)CCN[C@@H](c1ccccc1)C1CCCC1 2278286960 YJSRXAHIWJQKDP-YJBOKZPZSA-N 257.421 4.720 30 10 CJEE CC#CCCCC[C@H](NCC)C1(C)CC(C(F)(F)F)C1 2279199993 CSPIZJRXKFUONG-SLTAFYQDSA-N 289.385 4.527 30 10 CJEE C=CCCCCCCCN1C[C@@H]2C[C@@H](C(F)(F)F)[C@@H]2C1 2281164949 IMJPCJDNYYOXNG-RRFJBIMHSA-N 289.385 4.643 30 10 CJEE CO[C@H](CS[C@@H]1C[C@H](C)CC[C@@H]1C#N)C1CCCCC1 2283993500 MWXIDPOFAMTPKQ-MWQQHZPXSA-N 295.492 4.643 30 10 CJEE N#CCCCCCOc1cccc(-c2ccccc2)c1 2286804399 DRORUAPWEPAPJO-UHFFFAOYSA-N 265.356 4.816 30 10 CJEE C=C(C)CCCC[C@]1(CNCC(C)C)C[C@H](C)O[C@H]1C 2287386769 YZGRMRYAKMNLPE-OKZBNKHCSA-N 281.484 4.552 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CSc2ccccc21 2287409700 XZMSDEKJEWIRSW-DLBZAZTESA-N 289.488 4.991 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CC12CCC(F)(F)CC2 2287471021 XCEQNUZRHXTHIP-LSDHHAIUSA-N 285.422 4.927 30 10 CJEE CCCCCCCCCOCC[C@@H]1CCCC[C@H]1NC 2288879876 KVVNEIMDWRAAQM-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C[C@H](C)CCN(C)Cc1csc(C2CCCCC2)n1 2288886272 UUUMKEPAWGIZGR-AWEZNQCLSA-N 292.492 4.835 30 10 CJEE CC1(C)CC(C(=O)C#CC2CCCCC2)CC(C)(C)C1 2289616636 MHBAVZRQWJHZFQ-UHFFFAOYSA-N 274.448 4.992 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)C1CC(CC(C)(C)C)C1 2289934679 NFQAEBKEXISRIW-OBQMCRIKSA-N 279.468 4.920 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)c1ccc(C)s1 2291753177 KYEROYNILVJTFS-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H]1CC)OCC(=O)O 2292178715 PMABTEPQWHQSIW-ARFHVFGLSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@]1(OCCC(=O)O)CCCC1(C)C 2292723853 YYBDDGWKDUQLGE-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H](CC)C(C)C 2292778149 CFGYJCOQHQALPL-MSOLQXFVSA-N 283.500 4.929 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCC[C@@H]1C2)OCCCN 2292844929 BJJLAPSXINOHHJ-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C=CCCC1)OCCN 2293363923 QYXRITCPQUIWAS-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C1CCC1 2293373359 LDLYXUZHLFEOPF-KSZLIROESA-N 281.484 4.517 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1CC[C@@H](C)C1 2294017773 HYCHLERCJBEZDU-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CC1CCCCC1)OCCCN 2294255403 KBNFNMACXMJYSB-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCC[C@H](C(C)C)C1 2294419283 JJIIAKNJUHQPHN-ROUUACIJSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](CC1CC(C)(F)C1)OCCCN 2294665172 OTKACIANTUYOCU-AQFXKWCLSA-N 287.463 4.609 30 10 CJEE CCCCCc1ccc(NCc2ccsc2C#N)cc1 2294742344 GHLMMSCJDLLONY-UHFFFAOYSA-N 284.428 4.965 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CC[C@]1(C)CC 2295537295 XVGHTBIEDRKGKT-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nccn1CCC 2295603750 PRQMURKADLVECC-QGZVFWFLSA-N 279.472 4.608 30 10 CJEE CCCCCCCCC[C@H](C)NCc1n[nH]c(C)c1C 2295668550 JNENYGIDWJBYPH-AWEZNQCLSA-N 279.472 4.645 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CC=C(C)C)NC 2295684383 LNEBOUTWVCSEOY-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=C1CC(C[C@H](O)c2ccc(Cl)c(Cl)c2C)C1 2301222422 GHSFXIWUDRECAI-ZDUSSCGKSA-N 271.187 4.692 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1c(Cl)cc(F)cc1Cl 2302209136 FFXPAAIGJKRSBU-OQPBUACISA-N 276.182 4.735 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ccc(Cl)cn1 2307230527 MRMUEKKBDQVXQS-CYBMUJFWSA-N 289.897 4.809 30 10 CJEE C=CCC(CC=C)Sc1nc(Cl)nc2cscc12 2314340969 KINNIQZSGABULY-UHFFFAOYSA-N 296.848 4.958 30 10 CJEE CC#CCCCC[C@H](N)c1ccc(Cl)c(Cl)c1C 2316947005 RQOGGNWNFOUZMD-AWEZNQCLSA-N 284.230 4.885 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cccc(Cl)c1C(F)(F)F 2321220199 PZLGKRHOPVLCDP-UFBFGSQYSA-N 278.701 4.604 30 10 CJEE CC(C)C[C@H](CS)CN1CCCCCCCCC1 2328534939 PPARPERNRDDFAV-INIZCTEOSA-N 271.514 4.625 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccccc1F 2335103180 IFIYOWLDXSZKEF-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE CS[C@H]1C[C@@H](CC2(C=O)CCC(C(C)(C)C)CC2)C1 2335854610 LRJHOBMQYVQXHO-BMTQEXENSA-N 282.493 4.940 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)s1 2337105594 ZBOJAEBVDBRNIM-PWSUYJOCSA-N 289.366 4.601 30 10 CJEE C=CCC(CC=C)C(=O)C12CC3CC(CC(C3)C1)C2 2338727806 OEIBBCCLNLASMS-UHFFFAOYSA-N 258.405 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1(C)CCC(C)CC1 2338748615 ZHPCVWCKDBUBIB-NXYGQSRBSA-N 263.469 4.949 30 10 CJEE C#CCCCCCOc1ccc(C(F)(F)F)cc1Cl 2340979383 CCDWMPHCXSUEKF-UHFFFAOYSA-N 290.712 4.931 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1ccc(C#N)c(Cl)c1 2343117935 GTBNIPPJLMVRFI-OCCSQVGLSA-N 276.811 4.696 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCC2(CC2)C1)NCC 2344336921 MRAILEYXVOUOFK-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cnc(C2CC2)s1 2344371241 ISZDWUNNMDOABH-ZBFHGGJFSA-N 278.465 4.664 30 10 CJEE C=CCCS[C@@](C)(C(=O)O)C1CCC(CCC)CC1 2351995850 JSKBODFMVCNVMD-ZBCRRDGASA-N 284.465 4.746 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC#CC1CCCCC1 2352109154 BTWFGDYYQNPHKV-KRWDZBQOSA-N 282.493 4.569 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C1CCC1 2352159306 ARFVKEAOWDBHNT-INIZCTEOSA-N 284.465 4.890 30 10 CJEE C=CCCCCCCC=C1C[C@H]2CC[C@H]1C[C@]2(C)N 2352901195 ZETBKGLAOLRFJS-KSZLIROESA-N 261.453 4.977 30 10 CJEE C=CCC[C@@H](CC1CCC(CC(F)(F)F)CC1)NC 2353166591 SGJXYWOVNAKYCN-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCC[C@H](CC)C[C@@]1(C=O)CCc2ccccc2C1 2353445321 AEGJHDWCLMUQQJ-YJBOKZPZSA-N 258.405 4.577 30 10 CJEE CCCC1CCC(C=O)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2354795369 VMLQQIBYAWEZES-RDRUIREHSA-N 284.390 4.843 30 10 CJEE C=C(C)CCCC[C@@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359662460 UJKOMKYCSVUCKR-WNRNVDISSA-N 278.484 4.561 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@H](NCC)c1ccc(CC)cc1 2360206814 BVMDYQNYMJDZKL-DAYGRLMNSA-N 291.504 4.986 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc(CN[C@H](C)CC)cc1F 2360364191 KGRGHZNRQUJIAA-VXGBXAGGSA-N 299.430 4.910 30 10 CJEE Cc1ccsc1/C=C1\CC[C@H](C2CCCC2)C1=O 247633 OKAJPBHKYZZEGW-JWAFFJSPSA-N 260.402 4.609 30 10 CJEE C=CCOc1ccc([C@@H]2CCc3cc(C)ccc3N2)cc1 15018133 WGAKQSAGSYIZRC-SFHVURJKSA-N 279.383 4.659 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2Cl)cc1 20566119 JYUYEIWPQCXIDI-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCc1ccccc1Oc1ccc(C#N)c(Cl)c1 35994432 CTMPKJUFCWOMAQ-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1ccc(Cl)c(C#N)c1 36973162 DNSIBJWODYYNSW-AAEUAGOBSA-N 264.800 4.838 30 10 CJEE CCCCCCCOc1ccc(F)cc1[C@@H](C)NCC 59184438 LGRUBHPZDNSTMF-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCOc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1 77079439 KBMOVDHUOGFKAR-UHFFFAOYSA-N 269.344 4.535 30 10 CJEE C[C@@](C#N)(NC1CCCCCC1)c1ccc(F)cc1Cl 78900840 YOLJLDVEVHLNHV-INIZCTEOSA-N 294.801 4.530 30 10 CJEE CC(C)(CS)COc1cc(Cl)c(Cl)cc1Cl 87078893 RVRSIPNOYKTDNJ-UHFFFAOYSA-N 299.650 4.982 30 10 CJEE SCCCCCSc1ccc(Br)cc1 87096696 HQJXZNQHSHOCAZ-UHFFFAOYSA-N 291.279 4.641 30 10 CJEE Cc1ccc(C(C)C)c(OCC2(CS)CCCC2)c1 94582763 ITPMCCCPKMJWDG-UHFFFAOYSA-N 278.461 4.987 30 10 CJEE Cc1cc(Cl)ccc1OC[C@@H](CS)c1ccccc1 94583132 VRIJQHMMBVLFNN-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE C=C(C)CC[C@H](CCCc1cccs1)NCCC 97419355 JHXYCJSYRUKSCU-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE COc1cccc(/C=C2\C(=O)c3cccc4cccc2c34)c1 102579748 WRRNJHNQQVSEBD-PDGQHHTCSA-N 286.330 4.585 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2cccc(F)c2C)c1 103031137 CWSFTSKZAFLYTI-KTKRTIGZSA-N 283.346 4.559 30 10 CJEE CCCCCCCO[C@@H]1CCCCCC[C@@H]1NCC 103978077 LHTQCNMBEAGYOA-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCNCCOCCC(C)C 104012030 YGSADHZLPMXJTG-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCCCCCCCNCc1ccc(OC)c(Cl)c1 104465565 FROBNPOMJBTEIU-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE C#CC[C@H](C)c1ccc(OCCC)c(C(C)(C)C)c1 107592249 JCAVJIRPZBQIJX-AWEZNQCLSA-N 258.405 4.900 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 110264161 JBQUVYABOSFZPQ-HSFUPAIVSA-N 290.495 4.851 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 111650421 SFFHWUFHQJGWHV-RISCZKNCSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCNCCc1ccsc1 111726788 LOFXBNOWWLCWMV-UHFFFAOYSA-N 253.455 4.631 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(OC)cc1 112893753 XIQHJDFQXLKXTJ-QGZVFWFLSA-N 277.452 4.706 30 10 CJEE CCCCCCCC[C@@H](NC)C1(N2CCCC2)CCCC1 118177638 KXJORIJJPZKXFG-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](OC)C(C)C 122702973 MAQMMZOAXHBWJN-HZPDHXFCSA-N 258.446 4.549 30 10 CJEE CCCCCCC[C@](N)(CC)c1ccccc1F 123678550 BRXOGYTUIQPXPO-MRXNPFEDSA-N 251.389 4.750 30 10 CJEE CC(C)Oc1cccc2c1ccn2CCCC(C)(C)C#N 128648329 UFTJINGUTHDRGS-UHFFFAOYSA-N 284.403 4.758 30 10 CJEE CSc1cccc(N[C@H](C)C2CCCCC2)c1C#N 130544717 LEHYPQGKSWPXFA-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE COc1ccc(C#N)c(NC2CC(C)(C)CC(C)(C)C2)c1 130983289 KMHYTTLTJMNLBP-UHFFFAOYSA-N 286.419 4.584 30 10 CJEE N#CCCCCSc1nc2cc(Cl)ccc2s1 135931354 HAJXKCOCIMJRND-UHFFFAOYSA-N 282.821 4.736 30 10 CJEE CCSc1cccc(N[C@@H]2CCCC2(C)C)c1C#N 136681559 SXWKCIHHZSAIEX-OAHLLOKOSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccc(C)nc1 143468006 JJVVGONBIYZVOV-QGZVFWFLSA-N 262.441 4.921 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1ccnn1C 143475258 WVNJSWAACNKZGG-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE Cc1c(COC(C)C)cccc1NCCCC(C)(C)C#N 154156782 IAAIECVAHRITGM-UHFFFAOYSA-N 288.435 4.662 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1 159194444 UWBLYVXQGYXUNK-QRVBRYPASA-N 294.527 4.637 30 10 CJEE CCCCCCCCCCC[C@@H](O)CCCOC 160327333 CUXSVQJTHSZRDR-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)c2)c(C)c1 164492918 GBRFCQXUFYJTMP-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccccc1 189880655 AOVQMUFDIDCZBM-UHFFFAOYSA-N 279.383 4.791 30 10 CJEE N#CC1(c2ccc(OCc3ccccc3)cc2)CCCC1 203167814 JHYDLYOSCNFVKP-UHFFFAOYSA-N 277.367 4.601 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1cccc(C#N)c1 218160504 GEELFQDOAVXAHC-LNMJFAINSA-N 284.447 4.670 30 10 CJEE CCc1ccc([C@@H](C)Nc2c(C)cccc2C#N)cc1 221525308 FZTWUZBDICBVOS-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCCC[C@H]1N 226746090 DIHYAEGCZKFTOQ-IAGOWNOFSA-N 281.484 4.994 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CN2CCC[C@@H](C(C)(C)C)CC2)C1 227550858 VFNBSVOKVXTXFL-LMMKCTJWSA-N 293.495 4.530 30 10 CJEE CCCCCCCCC[C@H](Cc1nccs1)NCC 228734501 HVTOZZUSJKNEEA-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](NC)c2ccc(F)cc2O1 229331601 VFNMUPZZDBWTDS-SJLPKXTDSA-N 293.426 4.988 30 10 CJEE O=C1C=C(Cc2csc3ccccc23)CCCC1 230164213 RVMMVGTZRBCTCN-UHFFFAOYSA-N 256.370 4.513 30 10 CJEE CCCCCCCCNc1c(F)cc([N+](=O)[O-])cc1F 232940814 OVDJOTBXTXNMFE-UHFFFAOYSA-N 286.322 4.645 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H](C)Oc1cccc(Cl)c1 235249132 PEDFJUIYNHFOIC-CZUORRHYSA-N 281.827 4.571 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1Cl 236225037 JKJXWVUCRNRBMQ-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1C[C@@H]2C[C@@H]2C1 252896938 CIYQZXRRVGCWCC-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CC(C)c1cc(Br)cc(CC(C)(C)C#N)c1 260671450 WAAOMUYOMONHEP-UHFFFAOYSA-N 280.209 4.665 30 10 CJEE N#Cc1ccc(NCc2csc3ccccc23)cc1F 307961266 XCLTTYHJTXQNJF-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE C=C([C@H](NCCC)C1CCC(CC)CC1)C(F)(F)F 311887067 COXBUHSSZMTNTK-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCC(=NO)c1ccc(OCc2cccc(Cl)c2)cc1 312104796 ZLBWHCDAYWCEKO-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C#N)cc2Cl)c2ccccc21 313374150 QIGCXNQNGXPMJP-GTNSWQLSSA-N 282.774 4.872 30 10 CJEE CCc1ccc(CC2(C=O)CCC(C(C)C)CC2)cc1 316776708 FQMXQXPDLNCCFF-UHFFFAOYSA-N 272.432 4.823 30 10 CJEE 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C=CCC1(CNC(=O)C[C@H](C)CC(C)(C)C)CCCC1 1272416761 GWVLRKSMVAJNPB-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=CC[C@H](C)Sc1nnc(-c2ccc(C(C)C)cc2)o1 1307299954 CPTFDFRXFBZFKR-LBPRGKRZSA-N 288.416 4.917 30 10 CJEE C=CCCCCCCCNCc1nc(C(C)(C)C)co1 1308425913 NJTFERXNZXBMKL-UHFFFAOYSA-N 278.440 4.588 30 10 CJEE C=CC[C@@H]1CCCN(Cc2c(C)oc3ccccc23)C1 1308856535 YTJPOQSOTTZPOS-OAHLLOKOSA-N 269.388 4.529 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCc1ccc(F)cc1Cl 1308859664 MHQMVEPLIILXMS-YOEHRIQHSA-N 295.829 4.746 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@H](C(C)C)C1 1312802224 INDDFXPVPFCKBO-KRWDZBQOSA-N 294.483 4.591 30 10 CJEE C=CC(C)(C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 1353148509 QJWZSEQIIDJVLR-CYBMUJFWSA-N 291.460 4.577 30 10 CJEE C=CCCCCCCNC(=O)C1CC2(CCCCC2)C1 1436190707 PSOSHMCNJDXHPM-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](CCCC)C(C)C)C(C)C)c1 1455951570 XLKLNZXCCMIJKE-IBGZPJMESA-N 299.458 4.872 30 10 CJEE C=CC1CCN(C(=O)[C@@H](CCC)CC2CCCCC2)CC1 1456375792 NVGNCQHQJBISCI-SFHVURJKSA-N 291.479 4.798 30 10 CJEE C=CC[C@H](CC)NC(=O)C(C)(C)c1ccc2ccccc2c1 1459614907 BWYZMFVGDKNBNB-SFHVURJKSA-N 295.426 4.588 30 10 CJEE C=CCCC[C@@H](C)NC/C(C)=C\c1ccccc1COC 1461388546 FOLIBLDXMAEOTG-VZVUQDNOSA-N 287.447 4.571 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(Cl)c(CN(C)C)c1 1474478281 DFVJSCBWIINESG-AWEZNQCLSA-N 280.843 4.558 30 10 CJEE C=CCCCC[C@H](C)NCCc1ccc2ncccc2c1 1474709314 ZTRDUJDHGOQSMQ-INIZCTEOSA-N 282.431 4.502 30 10 CJEE C=CC(C)(C)CCCNC(=O)NCC[C@@H](C)CC(C)(C)C 1478444429 XQLIVNJSHWFPFB-OAHLLOKOSA-N 296.499 4.740 30 10 CJEE C=C[C@@H](CC(=O)Nc1cccc(Cl)c1C)c1ccccc1 1521873171 WEDZCPFZAJVLGM-AWEZNQCLSA-N 299.801 4.947 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CCCCC2 1527459976 VIKJCTMDPPDXPC-UHFFFAOYSA-N 283.415 4.662 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCc1cccc(C)c1 1531085619 LHIVAUBJOVTCLY-UHFFFAOYSA-N 299.458 4.523 30 10 CJEE C=CCCCC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1538662894 GFIOISKCLNDLPT-OAHLLOKOSA-N 271.404 4.519 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(-n3cnc(C)c3C)cc2)C1 1560859658 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CCCCCCCCCC[C@H](C[C@H]1CC[C@@H]1C)NN 2227981711 IXATZWOBSFZARD-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE CCCCC#CC[C@H](CCCC(F)(F)F)NCCC 2229872126 HTUVFPWDSPNAMF-CQSZACIVSA-N 277.374 4.671 30 10 CJEE CCCCCCCCCCOCCN[C@@H](C)C(C)C 2231013248 FCHFLGZKQWMWAF-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@H](C)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2231923505 BOFOEVMNWSEWOT-SMLCLMEVSA-N 263.469 4.760 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](COC)C(C)C 2231932344 JSDGXRUGVRFSHO-SJORKVTESA-N 271.489 4.634 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@@H](OC)C1 2231945342 FGIKWPKOYWXIEL-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc(CC(C)C)cc1 2233783942 YGGMKEPQPMABRK-LJQANCHMSA-N 271.448 4.729 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1O 2234049255 UVULOWJKIDAGHM-IAGOWNOFSA-N 282.468 4.859 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1ccc(CC(C)C)cc1 2234702755 MOKQYBUQYVRLOE-VQIMIIECSA-N 271.448 4.584 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1COC(C)(C)C1 2235524025 LSZUDADBPMPNEN-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCN(Cc1ccccn1)C1CC1 2235539258 OFDGKIOMCOAMFZ-UHFFFAOYSA-N 272.436 4.573 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1cc(C)sc1C 2236595303 FUHBMVJMCLGJHV-IAGOWNOFSA-N 297.508 4.737 30 10 CJEE CCCCCCCOCc1cc(CN[C@@H](C)CC)co1 2238969333 YSQBDSRMDGHDDL-HNNXBMFYSA-N 281.440 4.655 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)c1cscn1 2239451078 ZLKOADQNRIAILM-OAHLLOKOSA-N 298.496 4.561 30 10 CJEE CCCCCCCCCCCCO[C@H](C)C(OC)OC 2239502905 PKLVGQFJCQJUMM-MRXNPFEDSA-N 288.472 4.931 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnc(OCC)s1 2239772319 VKYAFADQQUIARA-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(C(C)(C)C)cc1 2240164167 GXTPLBTVQPXDLH-CZUORRHYSA-N 271.404 4.597 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(C2CCC2)cc1 2240259274 VXGDRGRPUROEOP-GOSISDBHSA-N 262.356 4.631 30 10 CJEE CCCCCCCC[C@H](C)N(C)[C@@H]1CCCC[C@H]1NC 2240557264 WILXMOXJNTXETC-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@H](C)NCC1(CC)CCOCC1 2240667005 RUEIUAREBRQHLF-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc2occc2c1 2241154197 UVYZXPWUORGDSV-SFHVURJKSA-N 271.404 4.556 30 10 CJEE CC1CC(CS)(CSCC(C)(C)C(C)C)C1 2242876844 KTSBBKBQMSELFM-UHFFFAOYSA-N 260.512 4.748 30 10 CJEE CC1CC(CS)(CSCC2CC(C)(C)C2)C1 2243629437 TXVRVPRASZWJFV-UHFFFAOYSA-N 258.496 4.502 30 10 CJEE C=C(C)CCCCC#Cc1ccccc1Br 2244650879 OJXHHRLZDJJFBA-UHFFFAOYSA-N 277.205 4.937 30 10 CJEE CCC[C@H](CC)CNc1cc(Br)ccc1C#N 2250383693 KOFSVPMHUQTOJG-NSHDSACASA-N 295.224 4.559 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1cc(Cl)ccc1Cl 2250902296 RMUSBKGSUYECEP-QWRGUYRKSA-N 272.219 4.856 30 10 CJEE C=C(F)C[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2255397222 ICJZQEMQFUBCBT-GFCCVEGCSA-N 292.181 4.526 30 10 CJEE Cc1cc(C#N)ccc1SCC1CC2(CCC2)C1 2256470449 FTUFYVKORHOGOV-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE C[C@H]1C[C@H]1CCCCC[C@]1(C=O)CCS[C@H](C)C1 2257294596 WYVTUZIYVDCKQU-JJXSEGSLSA-N 268.466 4.694 30 10 CJEE C=CCCSc1ccc([C@@H](C)NCCC)c(C)c1 2258985165 INTYEBVTCKINMG-CQSZACIVSA-N 263.450 4.724 30 10 CJEE C=C(C)CCCCN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1 2259231866 RBEUHWNXULQFTH-GVDBMIGSSA-N 251.458 4.879 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2CCC23CCC3)C1 2266118207 REOLAQJFWLFIAG-MRXNPFEDSA-N 261.453 4.539 30 10 CJEE CCCc1ccc(C(=O)C2=CCC(F)(F)CC2)cc1 2268125096 OCOSMLZTLHPVEO-UHFFFAOYSA-N 264.315 4.567 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@H]1CCCC(C)(C)C1 2268750655 NUBAPVUFHKEBEC-JKSUJKDBSA-N 262.437 4.560 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C[C@H]2[C@H](C1)C2(C)C 2271781184 MSSYEHOFCXIKIP-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCCCCCCOC)C1 2271908137 BNZSPRORLRVBLA-BZUAXINKSA-N 283.481 4.645 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)C(C)(C)C(C)C 2276897906 WZBDGYKGFZCURW-INIZCTEOSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC[C@H]1CCOC1 2278169317 OPNGRHILSHVIOM-DLBZAZTESA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@H](COC)C1 2278248204 ZYUWCVHIXUSGSF-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCC#CC[C@@H](C[C@H]1CCCCC12CC2)NCC 2279548324 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FXEPXQLNWGLJHZ-CQSZACIVSA-N 281.802 4.794 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1COCC1(C)C 2336173694 JDJFOHWXHMAPPD-HNNXBMFYSA-N 266.425 4.535 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)(C)C)CCC[C@H]1C 2338737219 BKAZWKPYSHTEQK-QAPCUYQASA-N 263.469 4.949 30 10 CJEE C=CCCC[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCC 2338918762 RQQGOCHQZIJHNG-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE SCC1(CO[C@@H]2CCCC[C@@H]3C[C@@H]32)CCCCCC1 2341591515 INJXWORQFTUCPU-OWCLPIDISA-N 282.493 4.852 30 10 CJEE C#Cc1c(F)cc(N[C@H](CC)c2ccsc2)cc1F 2344199250 WWFDOPUUNPNSRX-OAHLLOKOSA-N 277.339 4.571 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCCC 2344336319 IEZRCHKNGIXMKU-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CCCC(F)(F)C(F)(F)F 2344379324 IPISXOPDJBZQDS-WDEREUQCSA-N 287.316 4.674 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(CSC)c1 2344381784 VYOSPLCKQIVETH-INIZCTEOSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(OC)c1F 2344461150 XYERAFKZIJAVOF-GJZGRUSLSA-N 286.774 4.514 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1ccc2c(c1)CCC2 2352112009 BJSVAWBJMSRGBY-QGZVFWFLSA-N 278.461 4.536 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H](C)C1CCC(C)CC1 2353851063 YUBLTYSMVHALIQ-VUROTCPHSA-N 285.541 4.725 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCc2ccccc21 2354853904 KDTBONSOKWVDOJ-RUENVJTFSA-N 265.400 4.611 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1C[C@H]1c1ccccc1)NCCC 2357774158 SCBXCBXLOQWWRG-NQYYFHDYSA-N 271.448 4.761 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NC)C[C@@H]2CCCCC[C@H]21 2360342819 IRNCPIYKBBBMKT-HPBDAGMYSA-N 293.520 4.797 30 10 CJEE C[C@H](C#N)c1c(-c2ccc3ccccc3c2)nc2ccccn12 31921236 GBOKMSHICMNEBI-CQSZACIVSA-N 297.361 4.782 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 37089169 LCPVNYKJIDLRAX-CDHAZOANSA-N 288.410 4.879 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)c2ccc(OC)cc2O1 43397019 NGVWKGZPIAQNOR-GOSISDBHSA-N 290.403 4.780 30 10 CJEE CCc1cc(C[C@@H](C#N)c2ccc(Cl)cc2)ccc1OC 57762417 RTWZARXCNWTSMD-INIZCTEOSA-N 299.801 4.761 30 10 CJEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1O[C@H](C)CC 66117842 LWQOAGCLSGCQGQ-UONOGXRCSA-N 274.404 4.918 30 10 CJEE CC[C@H](C)n1ccc(CC2(C#N)CCC(C)(C)CC2)n1 87940126 BWKBKFGYUSMDIK-AWEZNQCLSA-N 273.424 4.507 30 10 CJEE N#C[C@@H](CSc1cc2ccccc2[nH]1)c1ccccc1 94629352 OIJJKEKQUVYAEX-HNNXBMFYSA-N 278.380 4.567 30 10 CJEE CCCCCCCN1C[C@@H](C)Nc2cc(F)c(F)cc21 106597471 WGUREGBGPQEXIL-GFCCVEGCSA-N 282.378 4.556 30 10 CJEE C=CCSc1ccccc1NC1CCC(C)CC1 109901090 NSMQQIMDSDTVPG-UHFFFAOYSA-N 261.434 4.955 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCCO1)NCC 110462900 OOZIRCWRCCDMFF-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCc2ccccc2C1 116262843 JEDACASINVWVTL-RBUKOAKNSA-N 274.448 4.903 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H](C)O1 122731986 NTQPPKDAQVFOIN-BZSNNMDCSA-N 298.515 4.697 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(C(F)(F)F)c1 125319230 RQLJUANHGQKEPQ-CQSZACIVSA-N 288.357 4.570 30 10 CJEE Cc1ccc(C#N)c(NC2CC(C)(C)CC(C)(C)C2)c1 130983502 OXMILVZZZZAZKM-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 131306143 XIVWQJLDDZFISW-RDBSUJKOSA-N 252.398 4.506 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C(F)F)cc2)c1 131481253 BWEILUXBXADAEP-OAHLLOKOSA-N 272.298 4.609 30 10 CJEE N#CC1([C@@H](O)c2cccc(C(F)F)c2)CCCCCCC1 132323851 GHOLMEIXWYGWIL-HNNXBMFYSA-N 293.357 4.912 30 10 CJEE Cc1cc(Oc2ccc(Cl)cc2C)ccc1C#N 133498707 HRLXAAJJPHKERD-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CSc1cccc(S[C@@H]2CCC[C@@H](C)C2)c1C#N 136995258 PFVDDBCBKUPOQW-VXGBXAGGSA-N 277.458 4.951 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cnn(C)c1C 139492876 BZYQBTRBYWMPJE-QGZVFWFLSA-N 279.472 4.520 30 10 CJEE CCCCCCC[C@H](NC)c1ccnc2ccccc12 139548997 SFHNYWOHWWLKRM-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCCC[C@@H](N)c1ccnc2ccccc12 140412158 MIYIWLQGPDUVHE-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE CCCCCCCCOc1ccc(CNC(C)(C)C)nc1 147454720 BXFGCTRBEQDPQP-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2cc(C)cc(C)c2)C1 148736645 BNDPPXQJOMUCFQ-QRQLOZEOSA-N 285.431 4.621 30 10 CJEE CCCCCCCCCC(=O)c1cc(F)ccc1N 150026202 OEKAFHQFKIFSSH-UHFFFAOYSA-N 265.372 4.731 30 10 CJEE Cc1ccc(C)c([C@H](O)C2(C#N)CCCCCCC2)c1 156806402 OPPPCTYSOLDLEV-KRWDZBQOSA-N 271.404 4.591 30 10 CJEE CCCCCCCCNC1=NC[C@H](c2ccccc2)S1 159404779 ZKXDXORYPKNJDD-MRXNPFEDSA-N 290.476 4.781 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCCC[C@H]2C(C)C)cc1 215027411 NKRJUYOEJXPDGL-OALUTQOASA-N 287.447 4.556 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 218317834 IVMLOEOURGIHSY-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCC(C)(C)N(C)C(=O)OC(C)(C)C 221382444 WDINHCKVRQUPIE-UHFFFAOYSA-N 271.445 4.992 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2)C1 222241223 QWNNWUWPKZGILX-BMFZPTHFSA-N 259.418 4.638 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@@H]1CO 227180630 UGDDUCKUVHXMQW-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NCC)c2ccccc2O1 229247658 UBZOQPBRLMEYQP-NVXWUHKLSA-N 275.436 4.849 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccccc1C(C)(C)C 229756206 OSGHYCSYFCIJLZ-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2c(s1)CCSC2 229759051 SISIOMKOHMMVEP-CYBMUJFWSA-N 281.490 4.544 30 10 CJEE CCCCCCC[C@@H](O)Cc1cc(Cl)ccc1F 231112665 VERWXHKQKKSSIQ-CQSZACIVSA-N 272.791 4.743 30 10 CJEE CCCCCCCCCCNC[C@H](O)CC1CCCC1 232133228 OEWKALPPXNNCOU-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CC(C)c1ccc(CNCCCCC(C)(C)C#N)cc1 232754966 JESHTQCKOTYKAQ-UHFFFAOYSA-N 272.436 4.620 30 10 CJEE C=CCCCCC[C@H](CCc1cccc(C)c1)NC 234448097 UQYIXZOSHCGWCL-GOSISDBHSA-N 259.437 4.652 30 10 CJEE CCCCCCCCCN1C[C@H]([C@H](C)CC)NCC1(C)C 250827550 OMDAIEGDXVKEQJ-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CC(C)(C)c1ccc([C@](C)(C#N)Cc2ccco2)cc1 259638452 RUUAEMJTYAIDDV-SFHVURJKSA-N 267.372 4.601 30 10 CJEE CC(C)(C#N)Cc1cc2cccc(C(F)(F)F)c2o1 260340207 ODBAWJAYCYCHAR-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](CC(C)C)C1 307774835 KNYKVYPBBBXXQE-MRXNPFEDSA-N 285.541 4.871 30 10 CJEE C[C@@H]1CC[C@H](CNC(C)(C)C)[C@@H](CC#CC(C)(C)C)C1 312216304 VOOQBIZUEDJYHT-IXDOHACOSA-N 277.496 4.867 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)c2ccccc21 313374151 QIGCXNQNGXPMJP-PIGZYNQJSA-N 282.774 4.872 30 10 CJEE CCC(=CC(=O)Cc1ccc(C)c(Br)c1)CC 314371966 MRIYXIOMJVLPQR-UHFFFAOYSA-N 295.220 4.616 30 10 CJEE C=C(CC)CC1(CNCCC)CCC(C)(C)CC1 317809506 IGAUYOVKXRSENC-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(C)CC1(CNC(C)C)CCC(C(C)C)CC1 318069302 MJPKJWCQRSHBGF-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccc(OC)nc1 383990528 IWEOKJGXWXIIPM-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE N#CCCCCCNc1c(Cl)cc(F)cc1Cl 385361094 ICHBFQDUDRPURG-UHFFFAOYSA-N 275.154 4.628 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CS1 386139262 QKFIOBPHAUROBF-HOCLYGCPSA-N 296.524 4.843 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 398107740 WDQWQIICCNVMGM-LLVKDONJSA-N 282.771 4.713 30 10 CJEE C=CCCC[C@H](C)Nc1snc(N)c1-c1ccccc1 398171383 YXLGUHJNQPICSM-LBPRGKRZSA-N 287.432 4.549 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2c(C)cccc21 398299584 GURDUPYEWXKQSS-LBPRGKRZSA-N 260.406 4.551 30 10 CJEE CCCCCCCNCc1csc2c1CCCC2 400010260 XBFLQSFXZOVPHE-UHFFFAOYSA-N 265.466 4.687 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@@]1(C#N)C[C@H]2CC[C@H]1C2 402272929 GXKRKZGAHGYQKX-VOAKCMCISA-N 259.315 4.685 30 10 CJEE C[C@@](C=O)(Cc1csc2ccccc12)c1ccccc1 405705305 ZYYHIBWIBOFMAG-SFHVURJKSA-N 280.392 4.601 30 10 CJEE C=CCC[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccco1 573731382 CCZVILIHAOTMEO-BZSNNMDCSA-N 281.399 4.680 30 10 CJEE Cc1cccc(N=C2NC3(CCCCC3)CCS2)c1C 687320712 NWWSQNPYWDPUNB-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE CCCCCCCC[C@@H](NC)c1scc2c1OCCO2 691522157 JWMOETYKDOYJID-CYBMUJFWSA-N 297.464 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)ccn1 692251534 JVEPIZQUURHSHB-WCQYABFASA-N 284.325 4.647 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(C)c(C(F)(F)F)c1 693451953 BSGRXKSEUZTBKA-CQSZACIVSA-N 271.326 4.631 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC(C)(C)CC(F)(F)F)C1 694127592 NYVHQBFWYWAYFH-AAEUAGOBSA-N 264.331 4.751 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1cc(Br)ccc1C#N 695110714 ZAMXBJDSIRGYBQ-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE CC1(C)CCC[C@H](NC[C@H](C#N)C2CCCCC2)CC1 697632662 KOJGNSJYGBHDHW-IRXDYDNUSA-N 276.468 4.655 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCC(C)(C)CC2)C1 697841045 BDPPSHNLOXCEER-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCC[C@@H]1C(C)(C)C 701856066 OQDPQSJZQYCSNA-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCNCc1c(C)c2ccccc2n1C 703708363 IEQZGOHWRAYRMT-UHFFFAOYSA-N 272.436 4.547 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@@H]1CCCC[C@@H]1C 704951187 YXDTZUZQRLTIDH-NJZAAPMLSA-N 277.795 4.782 30 10 CJEE Cc1cc(OC[C@H](C)C(C)(C)C)c(C)c(C)c1C#N 711202820 UQLRFUGDDBWBMS-LBPRGKRZSA-N 259.393 4.545 30 10 CJEE CCCCCCCCCN[C@@H](C1CCC1)[C@H]1CCOC1 711837623 BECLBISEBRBRHI-ROUUACIJSA-N 281.484 4.532 30 10 CJEE CCCCCCCNc1nc(C)ccc1Br 712569261 CGBFHLGWSHCWEU-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE C=CCCCCCN1CCc2cccc(Br)c21 713342960 NIISGWXOGMMGLL-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE C=CC[C@H](C)[C@H](NC)[C@@H](c1ccccc1)[C@H](C)CC 715796097 ODPCJJUKBJJPDM-ATLSCFEFSA-N 259.437 4.617 30 10 CJEE C=CCC(C)(C)CNCCc1cc(Cl)cc(Cl)c1 722129843 NULUQECGQPGJTJ-UHFFFAOYSA-N 286.246 4.728 30 10 CJEE CCCC1CCC(C=O)(CC2C[C@H](C)O[C@@H](C)C2)CC1 724381256 AWAWWIYYHGZXMB-WMTDPASSSA-N 280.452 4.756 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(C)cc2C)CC1 724443623 ULVHZFDDGFXBJG-MRXNPFEDSA-N 257.421 4.700 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(Cl)cc2)CC1 724542713 RKIPBLGTNVLNSC-ZDUSSCGKSA-N 263.812 4.737 30 10 CJEE C=C1CCC(CC(=O)c2ccc3ccccc3n2)CC1 724589351 FDZBLPVZXOBZGJ-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE Cc1cc(C)cc(N=C2N[C@H](C3CCCC3)CCS2)c1 725070244 GXSOOTHUSUJIPM-INIZCTEOSA-N 288.460 4.576 30 10 CJEE CCCCCCCC/N=C1/N[C@H](C2CCCC2)CCS1 725091385 YBADBNBSWQGAFS-INIZCTEOSA-N 296.524 4.988 30 10 CJEE O=C(C1=CCCCCCC1)c1cnccc1C(F)(F)F 829299641 AGVDICKLJQVCLQ-UHFFFAOYSA-N 283.293 4.564 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CC(C)(C)C)c1ccccc1 1125004809 DUNWYJWPUMEJMD-MRXNPFEDSA-N 287.447 4.882 30 10 CJEE C=CCC1(C(=O)NC[C@@H](C)c2cccc(C)c2)CCCCC1 1126361991 VCSBEHGNHLMMPY-QGZVFWFLSA-N 299.458 4.741 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(/C)c2cccs2)c1 1134629507 ORDJCXYFQIEPKL-RAXLEYEMSA-N 283.396 4.823 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)Cc1ccccc1C(F)(F)F 1204960593 DHHUQTBYBPWVPE-UKRRQHHQSA-N 299.380 4.971 30 10 CJEE C=C(CC(C)C)C(=O)NC1CCC2(CCCCC2)CC1 1296445463 RCMIUJXYYWYFGM-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 1308389105 WVEPOGBKBIVFJP-LFVTVUPYSA-N 289.850 4.920 30 10 CJEE C=CCC1(C(=O)OCc2ccccc2Cl)CCCCC1 1350381483 PDNROIBGTUJTKL-UHFFFAOYSA-N 292.806 4.910 30 10 CJEE C=CC[C@H](C(=O)NCCCC1CCCCC1)c1ccccc1 1353938404 UDRSBVUXBGYQHI-IBGZPJMESA-N 299.458 4.823 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(Cl)c(SC)c1 1451483136 GJJODVHKSTZCCV-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=CCCCC[C@H](C)NCCCc1cccc(Cl)c1 1462179659 YVGXKCFPQBMURD-HNNXBMFYSA-N 279.855 4.997 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccccc2CC(F)(F)F)C1 1474228265 UOPIHCSSXSSFJS-XJKSGUPXSA-N 297.364 4.626 30 10 CJEE C=CCCCCC[C@H](C)Nc1cc(OC)cc(OC)c1C 1474470059 XTSZTFWATVJKRO-AWEZNQCLSA-N 291.435 4.949 30 10 CJEE C=CCC[C@H](C)Nc1cnn(-c2ccccc2)c1C(C)C 1474494137 LQEAMHGVWKKPGT-HNNXBMFYSA-N 283.419 4.762 30 10 CJEE C=C(C)c1cccc(NC2CCN(C3CCCCC3)CC2)c1 1474741245 UPYXWZXRXTWLTM-UHFFFAOYSA-N 298.474 4.929 30 10 CJEE C=CCC1(NC(=O)Nc2cc(Cl)ccc2C)CCCC1 1475922369 AEJAWTMUZKYAOD-UHFFFAOYSA-N 292.810 4.659 30 10 CJEE C=CC[C@H](C(=O)NCC[C@H]1CCCC[C@H]1C)c1ccccc1 1531447838 FRASFMKPBQXORL-LMMKCTJWSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc([C@@H](C)CC)c1 1533349383 LUCKPJNPVBJDPU-ZDUSSCGKSA-N 259.393 4.741 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2ccc(C#N)cc2)CCCCC1 1539790535 GRZLUJKIKYZSNH-HNNXBMFYSA-N 297.398 4.689 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1F 1559799387 XQCGYKQXPDKTRM-GFCCVEGCSA-N 288.193 4.673 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 1585069109 HYBICXUFRHWXGO-NZSAHSFTSA-N 299.458 4.774 30 10 CJEE Cc1cc(C#Cc2ccc(F)c(C(F)(F)F)c2)ccc1F 1614826849 VJJWFMFHMZHWOI-UHFFFAOYSA-N 296.238 4.692 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C 1621511213 UCSZZUFPJHIYKQ-CABCVRRESA-N 281.484 4.551 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 1642350918 KONDZWMFUKRLLR-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=C[C@@H]1CCCCN1Cc1nc(C2CCCCC2)cs1 1645463582 LLXPMOKIAHPSLZ-OAHLLOKOSA-N 290.476 4.731 30 10 CJEE C=CCCCCCN1CCC2(CC1)C(C)=Nc1ccccc12 1646554671 ATJONFIONKJOTF-UHFFFAOYSA-N 296.458 4.873 30 10 CJEE C=C(CNC/C=C/c1cc(C)c(C)cc1C)c1ccccc1 1649117604 JWTFPUTVNZZMBX-DHZHZOJOSA-N 291.438 4.928 30 10 CJEE C=CCCCN(CC)c1nc2c(C)cc(C)cc2s1 1652306029 WKAQNRHHOOJZPL-UHFFFAOYSA-N 274.433 4.706 30 10 CJEE C=CCC1(NCc2ccc(OCCCC)cc2)CCCC1 1657676416 GFPHANHKEOGSJO-UHFFFAOYSA-N 287.447 4.844 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@H](c2ccccc2)C1 1665312637 JUSSFGCJUXLUKK-IRXDYDNUSA-N 257.421 4.515 30 10 CJEE C#Cc1cccc(NC(=O)N2CCCC[C@@H]2CCCCC)c1 1667090467 RCDUHFPRDDLVLW-SFHVURJKSA-N 298.430 4.635 30 10 CJEE C=CCCCCCCNC(=O)NCC1CCC(C)(C)CC1 1681238004 MBZCEIZXDPIARD-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE CC#CCCC[C@H](NCCC)c1cscc1C(F)F 1879644792 QUTMZECOJJNYKK-AWEZNQCLSA-N 285.403 4.920 30 10 CJEE CC#CCCCC1(CNCC(C)C)CCCCCC1 1879645200 VASLSSRJXFZRJK-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C=CCCN(Cc1ccccc1)CC1[C@@H]2CCCC[C@@H]12 1882664567 WCTQCPBWEFSXTM-QZTJIDSGSA-N 269.432 4.501 30 10 CJEE C=CCN(Cc1cc(C(F)(F)F)cs1)C1CCCC1 1884694720 DKRSWSSFHBOLSS-UHFFFAOYSA-N 289.366 4.698 30 10 CJEE C#CC[C@H](CC(=O)c1ccc(C(C)(C)C)s1)C1CC1 1887406340 DGFFPNQDQPZWQI-CYBMUJFWSA-N 274.429 4.668 30 10 CJEE C#CC[C@@H](C[C@H](NC)c1ccc(Cl)cc1Cl)C1CC1 1887462643 ARYMAGOLGPSBFT-LRDDRELGSA-N 296.241 4.694 30 10 CJEE Cc1cc(NC(=O)c2cccc([C@@H](C)C#N)c2)ccc1Cl 1890560939 KPKGAEFNDFMQDC-LBPRGKRZSA-N 298.773 4.528 30 10 CJEE Cc1c(C(=O)C=C2CCC2)ccc(Cl)c1Cl 1901124602 ZDTTXIGDEQZOIX-UHFFFAOYSA-N 255.144 4.595 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1csc(Cl)c1 1903150608 YGWLCZFAYMZIGM-QWHCGFSZSA-N 257.830 4.654 30 10 CJEE C#CCCCCC[C@H]1CCCCCCCC[C@H]1O 1913393049 PGIFYFQCMBPVMS-DLBZAZTESA-N 250.426 4.682 30 10 CJEE C=CC[C@H]1CCN1c1cc(Cl)ccc1[C@H](C)NCCC 1917062106 WPYAKOYKBPCNDO-ZFWWWQNUSA-N 292.854 4.555 30 10 CJEE C=C([C@@H](NC)C1CCC(CCC)CC1)[Si](C)(C)C 1922961958 FYQNPFKPWOHGGR-UYSNPLJNSA-N 267.533 4.615 30 10 CJEE C=C(C)[C@H](NCC)c1cscc1OCc1ccccc1 1934837584 GSDMAEWNUTXYMN-KRWDZBQOSA-N 287.428 4.554 30 10 CJEE C=CCCCCC[C@](C)(N)c1ccc(Cl)cc1 1948981071 JZFYBRUQOQAWFR-HNNXBMFYSA-N 251.801 4.650 30 10 CJEE CCOc1ccc(C(=O)C=Cc2cccs2)cc1Cl 1951318794 JSYKHXXUBMIXOQ-UHFFFAOYSA-N 292.787 4.696 30 10 CJEE CCCCCCCCCCCC1([C@H](OC)C(=O)O)CC1 1952773471 WUTJRLFDTAHVTH-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc(Cl)sc1Cl 1958083058 NAJNYERTIBKUNE-XVKPBYJWSA-N 265.205 4.691 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H](C#N)C1CCCCC1 1960206477 UPBYKXRBUUTXLY-FQEVSTJZSA-N 296.458 4.785 30 10 CJEE C=CCCCCN(C)Cc1cc(Cl)sc1Cl 1962788284 JVKZAHFVPPIKKQ-UHFFFAOYSA-N 278.248 4.843 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccsc2Cl)CC1 2000320827 BHYHTIZHEIVMIC-ZDUSSCGKSA-N 269.841 4.799 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ncc(Cl)s1 2000348222 XQOMQHLSMOUFBZ-LLVKDONJSA-N 272.845 4.584 30 10 CJEE C=CC1(CC[C@@H](O)c2cccc(Br)c2)CCC1 2003678862 YXBGIDPRNCOISH-CQSZACIVSA-N 295.220 4.619 30 10 CJEE N#C[C@H](c1cccc(Br)c1)[C@H]1CCCC[C@H]1F 2006749679 FLAVPCUQJZOCDZ-MGPQQGTHSA-N 296.183 4.585 30 10 CJEE CC1(C)CC=C(C(=O)c2snc(Cl)c2Cl)CC1 2010782725 QNRRUWLKXWAKPQ-UHFFFAOYSA-N 290.215 4.769 30 10 CJEE C=CCSc1ccccc1NCC1CC(C)(C)C1 2028890664 YKLPWPYROYYKDW-UHFFFAOYSA-N 261.434 4.813 30 10 CJEE CCCCCCC[C@](C)(N)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2032387634 INSLAOCCFCBTMQ-IVSAIRAKSA-N 251.458 4.747 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CC12CCCC2 2036133222 CXUPDOKHJGNWFB-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(Cl)cc1F 2037105006 GHWNMUBVHDNVAG-OAHLLOKOSA-N 269.791 4.790 30 10 CJEE CCCCCCCC1(CN)CC2(CC(C)(C)C2)C1 2039422389 SADRJEDCYMOAKR-UHFFFAOYSA-N 251.458 4.892 30 10 CJEE C=CCC[C@H](C)[C@@H]1CCCC[C@@H]1CNCC(C)C 2040535345 YYBSIZKDUUNZMT-BBWFWOEESA-N 251.458 4.641 30 10 CJEE C=C[C@H](C1CC1)n1c(S)nc2ccc(Cl)c(Cl)c21 2041694587 IBILEEGUHRIWGP-SNVBAGLBSA-N 299.226 4.769 30 10 CJEE C[C@@H]1C[C@](C#N)(CC[C@@H]2CCCC2(F)F)CCS1 2041716395 MZFVLMCAZQOBLT-AGIUHOORSA-N 273.392 4.627 30 10 CJEE CCCCCCCNCc1cc(C(F)(F)F)cs1 2043010059 WOSWWVWQVRLNHS-UHFFFAOYSA-N 279.371 4.827 30 10 CJEE CCCCCCCC[C@@]1(C#N)CCOC(C)(C)C1 2043354303 DIOURQPHEHMQAV-MRXNPFEDSA-N 251.414 4.836 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)([C@H]2CCCC(F)(F)C2)C1 2045379435 WJQNDNLZTGXXBY-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CCCC[C@](C)(CC#CC(C)(C)C)CNC(C)C 2045984693 QDVMKELVLUOQKP-QGZVFWFLSA-N 251.458 4.621 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@H]1CCC(C)(C)CO1 2046000897 VEDVKRUKCBFCLF-ZBFHGGJFSA-N 251.414 4.692 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC1(F)CCCCC1 2047240302 JOMOJONXLJBLRN-HNNXBMFYSA-N 255.421 4.629 30 10 CJEE C=CC1(CC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)CCC1 2049035861 QSWMXGOFLHVBAJ-RBSFLKMASA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@@H]1CNC[C@H](C(F)(F)F)C1 2051477307 YQRXYHREOJKEFP-QWHCGFSZSA-N 265.363 4.525 30 10 CJEE C=C[C@H](C)CC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 2053064203 BALZAMGYDHZQJM-SRVKXCTJSA-N 262.315 4.527 30 10 CJEE CCC#CC[C@@H](CCCCCCCCCC)NC 2053775160 PAJSVFMETDMQSR-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1CCC[C@H](CC)C1 2059123180 ICYIMPSBZIZDTB-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C(F)C[C@]1(CNCCC)CCCCC12CCC2 2062215547 XPCNYMXOCFRVDN-INIZCTEOSA-N 253.405 4.590 30 10 CJEE N#C[C@]1(CC2CCC(F)CC2)CCCC(F)(F)C1 2065213455 KHYGLDSIOFUTBV-BPCQOVAHSA-N 259.315 4.624 30 10 CJEE N#CC1(C[C@H]2CCC3(CC3)C2)CCC(F)(F)CC1 2065253473 PEKZNHPCDYVQJV-LBPRGKRZSA-N 253.336 4.676 30 10 CJEE N#CC1(Cc2ccc(Cl)cc2)CCC(F)(F)CC1 2065260062 WDFQWYWKNVWHQU-UHFFFAOYSA-N 269.722 4.602 30 10 CJEE CCCCCCCC[C@@H](O)C1(C(C)(F)F)CCC1 2069956532 WEDARQTVSJCAIU-CYBMUJFWSA-N 262.384 4.923 30 10 CJEE C[C@@H](CCC1(C=O)CCC(C)(C)CC1)C(F)(F)F 2071560164 GRPLNJLKJYPUIK-NSHDSACASA-N 264.331 4.751 30 10 CJEE CC#CCCCC[C@@](CC)(CNCCC)C(C)C 2075363300 BEHGOYXTCDXENJ-KRWDZBQOSA-N 251.458 4.622 30 10 CJEE CCCCN(C[C@@H](CS)C(C)(C)C)C1CCCC1 2076587631 SELIMTSQZKIITE-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C=CCCC[C@H](O)C[C@H]1C[C@H]1C1CCCCCC1 2079585662 FQMRTVCUOCIJLZ-ULQDDVLXSA-N 250.426 4.700 30 10 CJEE CCCCCC#CC[C@@](O)(CCC(C)C)C1CC1 2083391420 MQFPCSWKPQVDKQ-QGZVFWFLSA-N 250.426 4.538 30 10 CJEE CCCCCC#CC[C@@H](N)C[C@@H](CC)C(C)(C)C 2083441362 BPRNUDGEQRRCDQ-HZPDHXFCSA-N 251.458 4.750 30 10 CJEE CCCCC#CCN(C)[C@H](C)c1ccccc1Cl 2083478873 UCFKVXAHXCXTKA-CQSZACIVSA-N 263.812 4.526 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)c1ccsc1Cl 2085846625 HWGVBOSERNIYCB-CYBMUJFWSA-N 286.824 4.531 30 10 CJEE C=CCCCCCC[C@@]1(CNC)CC[C@H](CC)C1 2085848516 AKLQRFYMWNZRPH-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@H]1C1CC1 2086278925 NWBYLPWBPDUJBG-IRXDYDNUSA-N 250.426 4.844 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)c1cccs1 2090846778 GUSPEEPIMUUNAM-INIZCTEOSA-N 282.449 4.665 30 10 CJEE CCCCCCCCCCCC[C@H](CO)NCCC 2092175803 CUZLNVIDUFNUDI-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCC[C@]2(C1)CC2(F)F 2099944877 HXZYWNFMFORMNL-ILXRZTDVSA-N 271.395 4.666 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2102146085 OORGDBPNLYWXQY-GZBFAFLISA-N 272.379 4.988 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(Cl)c(C)c2)cc1 2107697257 HHZZDJHLJDKRGD-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ncc(C)[nH]1 2107793015 ISACBRHZLODAOX-HNNXBMFYSA-N 265.445 4.509 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccc(F)nc1 2107794152 SJLOGDOKUCAVJY-HNNXBMFYSA-N 266.404 4.751 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCCOC1 2108227543 IFHRRKUBMTYEIO-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE CCCCCCCN(C)[C@H](C)c1ccc(OC)cc1 2115765828 CEVUWYFQSIKLKQ-OAHLLOKOSA-N 263.425 4.658 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCN[C@@H](C)C1 2115859149 UTRPQOGPQSXWCE-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1cc(Cl)ccc1F)NCCC 2116657091 AURZUXXGMUBUGM-WFASDCNBSA-N 283.818 4.602 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)C[C@H](NCCC)C2)CC1 2118764901 DFGGBTFZYFLTBP-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@@H](NC)C2(C)CCC(C)(C)CC2)CCC1 2120100153 IKSLCGLPUZWGBW-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(Cl)cc1NCC1(C2CC2)CCCC1 2121306789 KNGVGDCUIIQIQY-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCC1CC(N(C)C[C@H](CS)CC2CC2)C1 2123468806 QHOBHDSGPFSQLY-AQFXKWCLSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C2(C3CCC3)CC2)CC1 2125221968 YVQHAWHIJLPXJS-AWEZNQCLSA-N 260.421 4.908 30 10 CJEE CCCCCCCC[C@H](CC[C@]12CCC[C@H]1C2)NN 2125624114 OPDSIOIHZDRANW-BBWFWOEESA-N 266.473 4.539 30 10 CJEE C=C1CC(CC[C@]23CCC[C@H]2C3)(CNC(C)(C)C)C1 2125642365 VWOUMIARFOVXFL-YJBOKZPZSA-N 261.453 4.681 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CC2CCC(C)(C)CC2)C1 2126424022 MUQOMEPMUCYUNZ-DOTOQJQBSA-N 263.425 4.692 30 10 CJEE CCCCCC(C)(C)CN=C1N[C@H]([C@@H](C)CC)CS1 2136526378 OZVJJLYKAGJRNY-KBPBESRZSA-N 284.513 4.700 30 10 CJEE O=C[C@]1(C(F)(F)F)[C@@H]2CCC3(CCCCCC3)C[C@H]21 2138883310 SHWFQZVPQJSUSY-BZPMIXESSA-N 274.326 4.505 30 10 CJEE CCCCCC#CC[C@H](N)[C@H]1CCCC(C)(C)CC1 2138955659 CBIJWQLWLUEJHX-IRXDYDNUSA-N 263.469 4.894 30 10 CJEE CCCCC#CC[C@@H](NCC)C1CCC(CC)CC1 2138958970 MVYPNIDSUUPDBM-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@H](NCC)C12CCC(CC1)CC2 2138983152 CTEWLPUHANFKRF-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE CCCCC#CCC1(CNCC)CCC2(CC2)CC1 2138984182 LYEKLHUXIDRORT-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE CCCCCC#CCC(=O)Cc1ccc(F)cc1Cl 2139060388 UOFQHGSBXGGTQJ-UHFFFAOYSA-N 280.770 4.565 30 10 CJEE C=CCCCCCC[C@@]1(N)C[C@H]2CCC[C@@](F)(C2)C1 2141908273 MIQZQVQEXICYGD-GVDBMIGSSA-N 267.432 4.903 30 10 CJEE C=CCCCCCCOc1cccc2c1NCCC2 2141919666 RHVFHIZUBDFJGW-UHFFFAOYSA-N 259.393 4.560 30 10 CJEE C=CCCCCCCCCN1CCC[C@@H](N=[N+]=[N-])C1 2142443093 DGOQLUAOZQEFJA-OAHLLOKOSA-N 264.417 4.678 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CC[C@@H](C)OC1 2142449331 ZAQVRGHYOCKCEA-SJORKVTESA-N 268.441 4.613 30 10 CJEE CC[C@](O)(CCC(F)(F)F)C1(C#N)CCC(C)(C)CC1 2144278867 RNUMTLQBWAHDKG-AWEZNQCLSA-N 291.357 4.580 30 10 CJEE CCCCCCCCO[C@@]1(C(=O)O)CCC[C@H](CC)C1 2145019571 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CCCCCCCCCCC(=O)[C@H](O)[C@@H]1CCC[C@@H]1C 2150053948 ORGRFLKYSFLPNH-LZLYRXPVSA-N 282.468 4.883 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)C(C)(C)C2CCCC2)C1 2151471905 ZVHHVONNTJNWQY-QGPMSJSTSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](O)C(C)(C)C(C)C 2151475803 IBXWWWAKDCEPQP-SJORKVTESA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)C(C)(C)C1CCCC1 2151476900 ZGIYLOQLUMNRST-DLBZAZTESA-N 283.500 4.642 30 10 CJEE CC(C)[C@@H]1CCC[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2157089118 CWAWRRJNYSVHGC-CGTJXYLNSA-N 277.452 4.674 30 10 CJEE C[C@H]1CCO[C@@H]1CCC1(C#N)CC(C)(C)CC(C)(C)C1 2157351075 WKCMAJNMJPAPQK-LSDHHAIUSA-N 277.452 4.938 30 10 CJEE C=CCC[C@@H](C)C1(CNCC(C)C)C[C@@H]2CC[C@H](C1)S2 2158321258 SGHYKVLNOPCRLU-HRBLRVMOSA-N 295.536 4.879 30 10 CJEE CC[C@H](C)c1nsc(CC2(C#N)CCC(C)(C)CC2)n1 2158889019 INWJLVINKMRVIN-LBPRGKRZSA-N 291.464 4.704 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)COC(C)(C)C1 2159392080 IMNXCIVEQWNTKT-GOSISDBHSA-N 283.500 4.778 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(C(F)F)cc1 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267.372 4.691 30 10 CJEE C=CCCCCC(=O)[C@@]1(O)CCCCC12CCCCC2 2179679480 LRETXMXQEHFQGX-SFHVURJKSA-N 278.436 4.558 30 10 CJEE C=C1CC(C[C@@H](NCCC)C(C)(C)c2ccccc2)C1 2182158571 UCVCBYCTTBGMCB-GOSISDBHSA-N 271.448 4.689 30 10 CJEE CCCCCCCCCC[C@@H]1CC[C@@H](COC)[C@H](O)C1 2183589375 BROVTERYGKZEHS-FGTMMUONSA-N 284.484 4.941 30 10 CJEE C#Cc1cccc(NC(C2CCCC2)C2CCCC2)c1 2185811794 NDHICOZUQLMZQO-UHFFFAOYSA-N 267.416 4.829 30 10 CJEE CCc1ccc(C#N)c(NCCC2(C)CCCCC2)c1 2188841251 PIUGVWWWNMWTNR-UHFFFAOYSA-N 270.420 4.893 30 10 CJEE C=CCC[C@@H](C)N(C)Cc1csc(-c2ccccc2)n1 2190837907 MNENVHCDOLZHHR-CQSZACIVSA-N 286.444 4.597 30 10 CJEE CC#CCCC[C@@H](NCCC)c1snc2ccccc12 2194058808 JQZGYCPKCUBTPI-MRXNPFEDSA-N 286.444 4.531 30 10 CJEE CC#CCCC[C@H](NCC)C1(C(F)(F)F)CCCCC1 2194063014 HZHYHGONGIZKGX-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE CCCCCCCCCCN(C)[C@@H](C)c1cncn1C 2195676972 OPJPPRLASOBPEX-INIZCTEOSA-N 279.472 4.554 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CCO[C@H](C)C1 2195681991 LMNQIGLCXFPYBX-MSOLQXFVSA-N 283.500 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293.476 4.771 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2ccc(-c3ccccc3)s2)O1 2206109609 HGBMWAQAWOYIJH-YOEHRIQHSA-N 283.396 4.939 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H](O)[C@H](C)C(C)(C)C 2206890053 DUDVDCWWFDKQFV-YESZJQIVSA-N 283.500 4.534 30 10 CJEE C=CCCCCCC[C@@H](NC)C1CC(OC(C)(C)C)C1 2206900010 PCOCCGGCMGJBBS-OFLPRAFFSA-N 281.484 4.695 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(OC(F)F)c1 2206903717 UWQBBIMAXRWFQJ-OAHLLOKOSA-N 283.362 4.814 30 10 CJEE C=CCCCCCCCCCOCC1CCC(N)CC1 2207404263 SJNFVDDRZRKXMA-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](N)Cc1ccncc1 2207425338 PLRGJARPPWVWJS-SFHVURJKSA-N 274.452 4.648 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@H](N)C1CCC1 2207428262 WKPGMTDZVIXAHS-SFHVURJKSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCCN(C)CCNC(C)(C)C 2207449699 RPJYQHJJOACXAQ-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@H]1CC[C@@H](N)CC1 2207450429 UXXJRDRGBIONKG-KSZLIROESA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H](C)C1CCC1)NC 2207457020 MXTMCIQPCCAQJW-NXHRZFHOSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C 2220084665 KDJPUZGMQJLXHR-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C[C@H]2CC[C@H]1C2 2225365788 KHDPXUGLTFSVSN-RFSXOUPVSA-N 257.421 4.923 30 10 CJEE C#C[C@H](CC(C)C)NCc1cc(-c2cccs2)cs1 2226334484 DPPATIITKUXJAI-CQSZACIVSA-N 289.469 4.614 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1CCC[C@H](OC)C1 2227287272 ZTVFFRVKRIQRIR-HOTGVXAUSA-N 266.425 4.677 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227501222 MILVWXDCSBWHNZ-CKYFFXLPSA-N 296.197 4.606 30 10 CJEE C=C(c1ccccc1)[C@H](N)Cc1cccc(Cl)c1Cl 2227505386 BHMWBHWQYCTKBD-OAHLLOKOSA-N 292.209 4.577 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2C#N)c(N)cc1Cl 2228667529 FNULGYJIJMEBTH-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=C1CCC(C[C@@](C)(O)c2cc(F)cc(Cl)c2)CC1 2229499641 GELZRLLAZBMSPU-MRXNPFEDSA-N 282.786 4.823 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(C#N)cc2)c1 2229669765 FRVLVSNIGRZRKZ-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE 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2276543457 LJGOOEAHKZXFCF-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H](C)CC 2276573234 SOFBYBLBHRJZLV-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCCCC1(OCCCN)CCC1 2276653934 ODMVSIWVUXMRFL-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1(C)CCC1 2277359940 KXSNRYVQQJWPLJ-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CC[C@@](C#N)(c1ccc2ccc(Cl)cc2n1)C(C)C 2277660460 IVRMTLJOMMCJHK-INIZCTEOSA-N 272.779 4.716 30 10 CJEE C=C(Cl)C[C@@H](NC)[C@@](C)(O)CCCCCCCCC 2278243464 FVBGLWJVHACTRD-CVEARBPZSA-N 289.891 4.609 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCN[C@H]1C(C)C 2279459053 FMVVMNZJNKUZAM-BZSNNMDCSA-N 283.500 4.512 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cccc(OC)c2Cl)C1 2283319549 JQSRCZLSUKJDBQ-HNNXBMFYSA-N 293.838 4.746 30 10 CJEE CCCCCCCC[C@](C)(O)c1nccc2occc12 2284309009 JIGQAZRTPVWHGC-KRWDZBQOSA-N 275.392 4.786 30 10 CJEE C=C(C)CCCCOc1c(C)cc(CNCC)cc1C 2287408098 FABVTKAIWUDKFU-UHFFFAOYSA-N 275.436 4.538 30 10 CJEE C=CCCCCCCCCC(=O)CNC1CCCCC1 2288202160 ZGTQPQLHVLSALT-UHFFFAOYSA-N 279.468 4.785 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@H]1CCS[C@H](C)C(C)C 2288858792 QLMKSACSEATZIR-IKGGRYGDSA-N 296.524 4.606 30 10 CJEE C=C[C@@H](C)CCN(C)c1cccc(Cl)c1[C@@H](C)NCC 2288887078 CSTFGCZUEGFQBF-ZIAGYGMSSA-N 294.870 4.659 30 10 CJEE CCC(CC)([C@@H](C#CC1CCCCC1)NC)C(F)(F)F 2289789731 HGLJZAXIACTQLW-CQSZACIVSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@]1(OCC(=O)O)CCCC=C1C 2290622177 RVYURRWYQYLXMR-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)C1CC(C)C1 2290878842 WJLPHTXWXGXUEW-VMBOVVBDSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)c1cc(C)c(C)s1 2291471432 DSIICEJTLBYABL-AWEZNQCLSA-N 296.432 4.644 30 10 CJEE C=CCCCCCCC[C@@](CC)(OCC(=O)O)C(C)C 2291808776 NXWPERPUVCTSNH-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CC[C@H](C)[C@](C)(OCCCN)C1CCC(CC)CC1 2293528631 VBXLZAFSUZJCOQ-BFWZDYSYSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)CC(F)F)OCCN 2293597883 FTXPWQWWKPSFRN-ZBFHGGJFSA-N 293.442 4.762 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)c1ccoc1 2294537390 BOFGDOIGVPWHLZ-QGZVFWFLSA-N 281.440 4.827 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC[C@H]1CC(C)C 2294592568 UYBYJFDNJWYRQH-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE N#Cc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1 2294977283 SFPYJHXIUNGNBA-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N[C@@]1(C#Cc2ccccc2Cl)CCC2(CCCCC2)C1 2295210106 WNLMCDHNOUAAFY-SFHVURJKSA-N 287.834 4.523 30 10 CJEE CC#CC[C@](C)(CCCCCCCCC)OCCCN 2295690000 WSCCCJFKWOUUNH-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@H]2CCC(C)(C)C2)CCS1 2302763122 KBGNEGSKOCNRPZ-IPYPFGDCSA-N 251.439 4.628 30 10 CJEE C=C(C)C[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2302904821 MDFLNVKEQKWWIC-AWEZNQCLSA-N 273.203 4.643 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(F)cc(Cl)c1 2304055199 IVGGJFQDRFPJLZ-CQSZACIVSA-N 254.732 4.654 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(F)(F)F 2308494411 ZKMWZHGFZXGEKT-JHJVBQTASA-N 265.363 4.653 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(F)F 2308734330 XITGHSOFEOVFHN-MGPQQGTHSA-N 261.400 4.746 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@H]1CCC1(F)F 2313775512 MHIFIXUYYYCGLZ-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CC(C)[C@H](CC#N)Nc1cc(C2CC2)ccc1Cl 2316260095 LGVLDKDKXJYCEH-AWEZNQCLSA-N 262.784 4.568 30 10 CJEE C=CCC(CC=C)Nc1ccc(C(C)(F)F)cc1 2316736966 ROYSPNKRPONIJK-UHFFFAOYSA-N 251.320 4.731 30 10 CJEE C=CCC(CC=C)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2316739406 RFIKTAXABRHHPL-HNNXBMFYSA-N 284.230 4.632 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C)(C)CC(F)F)NC 2321119134 XJLRKQZFJPNLTF-SWLSCSKDSA-N 261.400 4.638 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@H]1CCCC[C@@H]1CC 2321146177 WQNZEEVINBFIQR-HRCADAONSA-N 251.458 4.783 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(O)c(Cl)c2)c(C)c1 2325791821 VSDYJQTUXRLAOI-UHFFFAOYSA-N 286.758 4.559 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332262954 HAVLTCYSVUYIKM-ICUGJSFKSA-N 264.453 4.924 30 10 CJEE CC#CCCCC[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C 2332426292 MLGQBLQIGCWPKT-JFIYKMOQSA-N 263.469 4.621 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2332721175 SLFIXTKQYPMKTD-WNRNVDISSA-N 261.453 4.537 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@H]1C(F)F 2334484954 XXZXXFDTGXECAX-WOSRLPQWSA-N 273.411 4.638 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C)OCCN 2334985418 LEJMNIAYDYZBHB-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1cccc(F)c1 2335103562 NOAHDJRVLRUUMY-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)C(CC1CC1)CC1CC1 2335236716 ZHJPBSKSCQOJMJ-KDOFPFPSSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@@](O)(CC)[C@H]1CCCCO1 2337288380 WIHKRSCLUMKBOD-SJORKVTESA-N 268.441 4.613 30 10 CJEE C=CCCCCN(C)Cc1cc(F)ccc1C(F)F 2337942746 VVBAORYDJGESTL-UHFFFAOYSA-N 271.326 4.551 30 10 CJEE CN[C@@H](C#CC(C)(C)C)CCc1cc(Cl)cc(Cl)c1 2341114111 JMCXNNJZRUKESJ-OAHLLOKOSA-N 298.257 4.564 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(F)ccc1C1CC1 2341794376 FPNQDCXCTPCMOE-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@H]1C[C@@H]1C1CCCCC1)NCCC 2341890954 BICZBZPAUCAIQI-XDNAFOTISA-N 261.453 4.537 30 10 CJEE CC[C@@H](OC[C@@H](C)CS)c1ccc(C(F)(F)F)cc1 2343888754 WQNSMPRISOIQSA-ZWNOBZJWSA-N 292.366 4.739 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NCC 2344339405 JAGPDHYTIFZMBK-MWDXBVQZSA-N 261.453 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(CC2CC2)c1 2344458678 ZRFMZKYSGSJVJC-ROUUACIJSA-N 258.405 4.665 30 10 CJEE Cc1cscc1N=C1N[C@H](C2CCC(C)CC2)CS1 2351655906 KGKQWJHWDKYCKG-OVGLSYRBSA-N 294.489 4.575 30 10 CJEE C=CC[C@H](C)S[C@](C)(C(=O)O)C1CCC(CC)CC1 2352220186 DPXQCIBCLZQWSJ-USPMSXPRSA-N 284.465 4.744 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccnc(C(C)C)c1 2353643978 YAHOLVNOAQOSHR-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H]1CCCC2(CCC2)C1 2353843082 NNCHKWXVTXYAIQ-CVEARBPZSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@]12CC[C@@H]1C2 2354286083 MEMKZMZIGORVQI-KZNAEPCWSA-N 280.500 4.929 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H]1CCC[C@@H]2C[C@H]12 2355650750 ZZXMOTFCFSWMAG-XWTMOSNGSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1CCC[C@@H]2C[C@H]12 2358323618 RUFSROGFRCNTQC-VSZNYVQBSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)[C@@H](C)CC1CC1 2360339647 KRSDSOUWNASUPE-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NCC)C[C@H]2CCCC[C@@H]12 2360343361 MXUAQRVEVNBUFQ-DDBAPUKQSA-N 293.520 4.797 30 10 CJEE C=C(C)CCC[C@@H](C)CCOC(=O)Cc1ccccc1 5751256 SKZDJVXLRPCFQC-MRXNPFEDSA-N 274.404 4.545 30 10 CJEE endogenous,in-man C1=CC=CCC=1/C(=N/c1ccccc1)c1ccccc1 15771464 BTTPOBLZBDLGHN-FMQUCBEESA-N 257.336 4.849 30 10 CJEE C=CCOc1ccc(CNc2ccc(CCC)cc2)cc1 21795030 LZESQZFMYRRHRR-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE COc1ccc(/C=C2\C(=O)c3cccc4cccc2c34)cc1 33619903 SYNLRRNEFSLTJB-PDGQHHTCSA-N 286.330 4.585 30 10 CJEE C=C(C(C)C)N(Cc1ccccc1)C(=O)OC(C)(C)C 34575080 UXGGGAVKSFFQTA-UHFFFAOYSA-N 275.392 4.593 30 10 CJEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1cccs1 36954165 SYKXNKCOZBNISA-LBPRGKRZSA-N 276.792 4.836 30 10 CJEE C#Cc1cccc(N[C@H](CC(F)(F)F)c2ccccc2)c1 37185282 YMXSATHZTLYBSQ-MRXNPFEDSA-N 289.300 4.774 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1ccco1 37766135 QBRRENWDZTUYLY-GFCCVEGCSA-N 259.374 4.731 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](c1ccccc1)C1CC1 41075569 CNCHFVKGEIRBFM-GOSISDBHSA-N 280.346 4.569 30 10 CJEE CC(C)/C(=N/C1CCCCC1)C(C)(C)Br 44477445 SMQVFOUJIZZAGU-QINSGFPZSA-N 274.246 4.590 30 10 CJEE COc1cccc([C@@H](C#N)Cc2cccc3ccccc23)c1 57739263 QVBGSDWGZLYCPJ-GOSISDBHSA-N 287.362 4.698 30 10 CJEE CCCC(C#N)(CCC)C(=O)N1CCC(CC)(CC)CC1 62959331 DQPNIBPSDIZABW-UHFFFAOYSA-N 292.467 4.525 30 10 CJEE C#CC(C)(C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 70117822 BNHQCTATPZOHTC-QMMMGPOBSA-N 290.621 4.709 30 10 CJEE N#CCC(=O)c1cn(C2CCCC2)c2ccc(Cl)cc12 84871252 UUXDWRMESSWYMK-UHFFFAOYSA-N 286.762 4.506 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)CC1 86922576 WGDWITASYZMCTN-GDBMZVCRSA-N 256.393 4.719 30 10 CJEE CC(C)[C@H](CS)CSc1ccc(Cl)cc1 87096009 QYTQKZFZEYILQB-SNVBAGLBSA-N 260.855 4.634 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(C)ccc2OC)C1 87972925 CUNSWGMJTMIINF-YJBOKZPZSA-N 271.404 4.656 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCOc2ccccc2OC)C1 88415891 NWPHRPZMTRFSRP-YJBOKZPZSA-N 287.403 4.574 30 10 CJEE CCCC[C@H](CC)C[C@@](C#N)(C(C)=O)c1ccccc1 91327433 GCWRWNGSBHNAEY-FUHWJXTLSA-N 271.404 4.643 30 10 CJEE C=C(C)[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 92116480 DJYDKBKSKVYRIP-SFHVURJKSA-N 273.464 4.698 30 10 CJEE C=CCCC[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547151 KCRKMFZFWZLSQU-MFJUZZNBSA-N 261.453 4.667 30 10 CJEE SCC1(CN(C2CCCCC2)C2CCCCC2)CC1 94578431 GPCSXGNDGDYKOU-UHFFFAOYSA-N 281.509 4.664 30 10 CJEE CCCCCCCOc1c(N)cc(Cl)cc1Cl 100146791 IUOPYYZWMBNZSE-UHFFFAOYSA-N 276.207 4.925 30 10 CJEE Fc1cccc(Cl)c1/C=N\Cc1ccc(Cl)cc1 106909820 OUJHMSAWWFYNRM-NVMNQCDNSA-N 282.145 4.752 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1ccccc1Cl 109779897 HYSALQAVKLXXJB-INIZCTEOSA-N 283.843 4.863 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1NCC 110083781 BODOORZWDUOJKY-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(F)c1F 122241094 MHQZLBASZXWFFI-HNNXBMFYSA-N 284.394 4.610 30 10 CJEE CCCCCCCCCCC[C@H](O)COC(C)C 131571971 RSLUQPVALXSCSA-INIZCTEOSA-N 258.446 4.693 30 10 CJEE Cc1cc(Oc2ccc(Cl)cc2Cl)ccc1C#N 133497870 KEVCSOVBNTYJDE-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](NCCC)c1cccnc1C 139605387 UTOJDOBVHXRHOE-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 156136481 DTHNAUYWXUXRMG-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](OCC)c1ccccc1 158392068 QMWDOYXJVUZDDH-ROUUACIJSA-N 278.436 4.876 30 10 CJEE CCCCCCCCN[C@H](C)CCc1ccc(OC)cc1 159148692 XTRVSZFZHIKIST-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE C[C@@H]1CC[C@H](Nc2cccc(F)c2C#N)c2ccccc21 163709417 VWZOIRNWZMSHMX-XIKOKIGWSA-N 280.346 4.748 30 10 CJEE C=C(C)CCC1(C(=O)O)CCC(CCCC)CC1 164472554 RRFVBQMIDSGATJ-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE CCCCCCCCCOCCCNCc1ccccc1 164616872 BTDXLPQKNPWNPM-UHFFFAOYSA-N 291.479 4.934 30 10 CJEE CCCCCCCC(=O)Cc1ccnc2ccccc12 166796257 AKZUAVSLUWCVRA-UHFFFAOYSA-N 269.388 4.707 30 10 CJEE CCCCCCCC[C@@H](O)CCc1ccc(OC)cc1 168360264 BMVKCEBWZRSMCE-QGZVFWFLSA-N 278.436 4.739 30 10 CJEE CC[C@@H](C)c1ccc(OCC[C@@H](C)CCS)cc1 232360738 PHOZOGQBRMMXQT-ZIAGYGMSSA-N 266.450 4.925 30 10 CJEE CCCCCCCCCCNC1=N[C@H](C(C)C)CS1 232941615 GMIWSDYQOVFABB-HNNXBMFYSA-N 284.513 4.844 30 10 CJEE CCCOc1ccccc1C(=O)C=C1CCCCC1 233246420 YTDXWWBKIOXYFT-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@H]1[C@H](C)CC 250804574 FHGDJZPTFLGEDF-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1cccc(Cl)c1Cl 251921320 YNHLPKRVRDNGOF-BXUZGUMPSA-N 297.229 4.823 30 10 CJEE CCCCCCC[C@H](C)NCCCN1CCCC[C@H]1C 252413981 STKRCMWBJSHVIS-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)C[C@@H](C)C[C@@H](C)C2)CC1 252547804 LVCMOUVNNRZEIR-RASVIKGESA-N 277.452 4.674 30 10 CJEE CC(C)(F)c1cc(F)c(F)c([C@H](CC#N)C2CC2)c1 260009658 AMSXFZMEDOEESJ-LLVKDONJSA-N 267.294 4.577 30 10 CJEE C[C@H](C#N)c1ccc(C2CCCC2)c(Br)c1 260535407 NNRQVWMXUVAGPX-SNVBAGLBSA-N 278.193 4.734 30 10 CJEE O=C(C1=CCCCC1)c1cccc(OCc2ccccc2)c1 309680112 YFWWNHSRHJJUAI-UHFFFAOYSA-N 292.378 4.949 30 10 CJEE CC1CCC(C#N)(CC(F)(F)c2ccccc2)CC1 311532700 HGDFIGJKDNXYFE-UHFFFAOYSA-N 263.331 4.889 30 10 CJEE C=CCCCCCCNc1cccc(SC)c1C(=O)O 312443400 NIAGBHGDDCRJND-UHFFFAOYSA-N 293.432 4.655 30 10 CJEE Cc1cc(NCc2ccc(C#N)cc2C)c(Cl)cc1F 312459461 YJDPZXNMGMQLEQ-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCCCCCCCCCCC1(N)CCC(O)CC1 313033490 ZFPMTHDUUVEHLV-UHFFFAOYSA-N 283.500 4.930 30 10 CJEE CC(C)(C)C1CCC(C=O)(C2CCCCC2)CC1 317290694 KOYXGKXHWPZHPP-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CC(C)(C)C1CCC(C#N)(c2ccsc2[N+](=O)[O-])CC1 382625190 HOOSNCLKSGIGAM-UHFFFAOYSA-N 292.404 4.654 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cccc2ccccc12 393739814 DIVUEQDGUPIYQQ-GDBMZVCRSA-N 253.389 4.845 30 10 CJEE CCCCCCCOCc1cccc(C(=O)O)c1Cl 394547172 GEJSFAJMTNWIFN-UHFFFAOYSA-N 284.783 4.525 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)C[C@H](C)C(C)C 399407596 UUXAQEPIDGZQPM-ZWKOTPCHSA-N 284.532 4.678 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccns1 401129901 SJZSQXQBCXDGQW-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCc2c(F)cccc2F)C1 402978860 GALGRDJHGNLTIC-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE C#CCCCCCN(C)[C@@H](C)c1ccccc1Cl 686681491 SECWNEPODJZAQN-AWEZNQCLSA-N 263.812 4.526 30 10 CJEE COCCCCC1(C#N)CC(C)(C)CC(C)(C)C1 688336145 SDSIMOKGXSEQCA-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C[C@@H]1CCCO1 689776292 FUFQLWCUPYQECA-DLBZAZTESA-N 270.457 4.837 30 10 CJEE Cc1cc(C#N)cnc1Sc1ccc2ccccc2c1 690417533 OWTUUUQTLNJWMX-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](CC)CCCC 692202830 CCTXMTSBJBYOLA-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(C1CCC1)C1CCC1 692274782 FRZPAGSLPAIPPG-YOEHRIQHSA-N 261.453 4.680 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@@H](C(C)(C)C)CCS1 694638426 WVPIHJHTHARBNG-UKRRQHHQSA-N 296.524 4.843 30 10 CJEE C=CCCSCCN[C@H](C)c1ccc2ccccc2c1 696060576 GNZHEXCMGAJZIX-OAHLLOKOSA-N 285.456 4.800 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3cccc(F)c3)C[C@@H](C1)C2 697311706 SWRGNWBFIGMZND-DUXAOARHSA-N 273.395 4.611 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CC12CC2 698154271 RDPPOBAYDFSWRL-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CC1(C)CC(CNc2ccc(C#N)cc2)CC(C)(C)C1 699566185 KMQLDGRTVBWLIZ-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccnc(OC)c1Cl 701590778 SPSMGEJRBLHOKX-CQSZACIVSA-N 298.858 4.755 30 10 CJEE CCC(CC)(CS)CSc1nc2cnccc2s1 703010386 NSWBQPVPJXZZSF-UHFFFAOYSA-N 298.502 4.520 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H]2CCCC(C)(C)C2)C1 708584593 RCTLCZFATKTBQU-VQHPVUNQSA-N 276.468 4.605 30 10 CJEE CC(C)(C#N)CCCCN1CCC(C2CCCC2)CC1 708868493 AMNSMNCECATHBM-UHFFFAOYSA-N 276.468 4.609 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)[C@]12CCCC[C@@H]1C2 709190764 SPQOSWIKWVCZQN-NORZTCDRSA-N 274.795 4.592 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@H](N)CC1 710987073 FXWIMQURRGVCNG-WKILWMFISA-N 267.457 4.604 30 10 CJEE C=CC[C@H](C)Nc1cccc(OCc2ccccc2)c1 715039172 LAOSEXXIKDPAMF-HNNXBMFYSA-N 267.372 4.642 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)cc1OC 715716819 AFKPBGUACQNWAJ-LRDDRELGSA-N 281.827 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2278227997 DFMIQLVBMMFXQO-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC[C@@H](C)CO 2278235988 DOCFNOFRIKDYDN-IAGOWNOFSA-N 271.489 4.514 30 10 CJEE CN[C@H]1C[C@H](CC=CC#CC(C)(C)C)CC2(CCC2)C1 2284083525 HRDRYZHVGOVJRX-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H]2CO[C@H]1C2 2286245805 WREDONIHLQALSM-BZSNNMDCSA-N 282.468 4.837 30 10 CJEE C=CCCCCCCC[S@](=O)[C@@H]1C[C@H](C)CC[C@H]1C#N 2287097704 YSMJUJFFYHSMGU-YZLZLFLDSA-N 295.492 4.590 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)CCCCCC 2287393415 YXUBMIKHZQTPGC-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCC[C@H](CCc1ccccn1)NCCC 2287420168 IFEUHCAQPVRADH-QGZVFWFLSA-N 274.452 4.519 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCc3ccccc32)CCC1 2289668320 ONVWGWVUIFDMOF-GOSISDBHSA-N 285.456 4.708 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1(CC2CCC2)CC1 2289856034 XTHBLOCBEAJYRF-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@](C)(CCC=C(C)C)OCC(=O)O 2290902934 LJYXKJVTOHQPBE-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE 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CJEE C=C[C@@](N)(CCC)c1ccc2oc3ccccc3c2c1 2295833072 LYZROFXBUPJCTQ-GOSISDBHSA-N 265.356 4.726 30 10 CJEE CC#CCOCCCCCCCCCCCNC(C)C 2296256145 RORYIEOEDOLYRA-UHFFFAOYSA-N 281.484 4.535 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNCC)c(Cl)c1 2298943058 QFIGOJNDXVFEAY-LLVKDONJSA-N 269.841 4.506 30 10 CJEE O=C(C=Cc1cccc2cnccc12)c1ccc(Cl)s1 2308249820 SEZIBTYQWOELEX-UHFFFAOYSA-N 299.782 4.846 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NC 2312954249 NNTWLMNTIZROCK-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC(C)(C)[C@@H]1N 2313523623 BXUYKGXMYPHGRX-HUUCEWRRSA-N 267.482 4.537 30 10 CJEE CCCCCCCN(C)C(CC1CC1)CC1CC1 2313604741 UOUWLBILHSQTNY-UHFFFAOYSA-N 251.458 4.857 30 10 CJEE C=CC[C@@H](C)S[C@H](C)C(=O)c1ccc(C)c(C)c1 2313695976 QNDIGUUFAAQRJV-ZIAGYGMSSA-N 262.418 4.572 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(C)CCF 2316752392 NVORPYHWLFRGFU-HNNXBMFYSA-N 255.421 4.509 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccc2sccc2c1 2319262067 SXUBHZLHFZQGPF-GDBMZVCRSA-N 257.402 4.518 30 10 CJEE 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GWPBHMIYUNPVQF-TWKWOARYSA-N 265.400 4.512 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)cc1C 2360202139 RFPAVFKEPHBAMP-RHSMWYFYSA-N 295.467 4.873 30 10 CJEE C=CCC(CC=C)SCc1ccccc1C=CC(=O)O 2360204292 CJLXAUAOOVFYRV-UHFFFAOYSA-N 288.412 4.538 30 10 CJEE Cc1cc(Oc2ccccc2C#N)ccc1C(C)C 21786761 DOUXGMWMUZQFAP-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE C[C@@H]1CCC[C@@H](C)C1Nc1cccc(OCCCC#N)c1 37777396 LCJHABGCNDOSPU-HUUCEWRRSA-N 286.419 4.606 30 10 CJEE CCCCCCCCOc1ccc(C)cc1[C@@H](C)N 59295502 KCXQDNZBRYKQRS-OAHLLOKOSA-N 263.425 4.754 30 10 CJEE N#CCc1cc(-c2ccc(Cl)s2)oc1C1CC1 77084464 JDQQZXWKRJSLCZ-UHFFFAOYSA-N 263.749 4.605 30 10 CJEE CC(C)c1ccc([C@H](O)C2(C#N)CCCCCC2)cc1 91881630 CUTXIFOEARNKPG-KRWDZBQOSA-N 271.404 4.708 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCC(C(C)C)CC2)ccc1F 91883788 YDLVTQRQLXKFSF-GMXGEUMGSA-N 289.394 4.524 30 10 CJEE Cc1cc(C)cc(N(C)CC2(CS)CCCCC2)c1 94580879 RLNOLKHDOWGWSY-UHFFFAOYSA-N 277.477 4.620 30 10 CJEE CCCOc1ccccc1OCC(CC)(CC)CS 94583515 HHFCDAIQIZLJTO-UHFFFAOYSA-N 282.449 4.590 30 10 CJEE Cc1ccc(Cl)c(OC[C@@H](CS)C(C)(C)C)c1 94584413 LSTLMOBQQZXTFM-NSHDSACASA-N 272.841 4.619 30 10 CJEE CC[C@H](CSC)N(C)CCCCCCCCCS 97799567 YDLQKCOBXXFCII-OAHLLOKOSA-N 291.570 4.720 30 10 CJEE C=C(O)CCCCCCOc1ccc(Cl)cc1 100467496 FGMLIYWITDNOIB-UHFFFAOYSA-N 254.757 4.741 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1C)C(=O)O 103061190 YEIBSZDFCALZOP-INIZCTEOSA-N 262.393 4.599 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccccc1OCC(C)C 107574465 JHWHSKMGAYFTLV-JKSUJKDBSA-N 258.405 4.874 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)cc(Cl)c1OCC 107656056 QRKGUDAUKTVIMP-JTQLQIEISA-N 271.187 4.909 30 10 CJEE CCCCCCCCO[C@H]([C@@H](N)CC)C(C)(C)C 109989031 DNVWMCCXMHJDMV-LSDHHAIUSA-N 257.462 4.516 30 10 CJEE CCCCCCCCO[C@@H](CNCC)c1ccccc1F 110070162 NMGFUDPRPUMJEC-SFHVURJKSA-N 295.442 4.853 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1N 112877955 MKQQWYHTIQDLNH-UHFFFAOYSA-N 255.789 4.662 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@H]1CCC 114056063 AUKPHHQWUKJDRR-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@@H]1CCC 114061495 VTHQTANUNLKWDX-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](O)c1ccccc1COC 115199923 KIXVFJKOJRMTHZ-QGZVFWFLSA-N 264.409 4.617 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)c1ccncc1 117692134 MSNLGYPCUVKXIT-WBVHZDCISA-N 263.425 4.687 30 10 CJEE CCCCCCC[C@@H](NC)C1(N(C)C)CCCCCC1 118186925 QTRPTSZLFNJWAR-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(C)CCCC1 122649234 PXDPAXTXKLPGAN-INIZCTEOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCCC[C@H](CC[C@@H]1CCCO1)NN 123526321 AAEWPDYNMWBMSO-MSOLQXFVSA-N 298.515 4.698 30 10 CJEE CC1(C)CCC(Oc2ccc(C#N)cc2Cl)CC1 125271309 WHBIYYOVXVUUPW-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](C)CCOC 128330309 OTQRCURXLSDVNX-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cccc(C(F)F)c2)CC1 132327173 JBSNZGPVGFETLJ-CQSZACIVSA-N 293.357 4.768 30 10 CJEE CCCCCCC[C@H](CCOCCC)NCCC 139603998 JTHZYNWVFVVIGD-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H](C)COC 143414169 ZCVPMEOXHMHWGM-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE CCCCCCCCCOc1cccc(F)c1C#N 155628054 OLZIIJKHGIMLLR-UHFFFAOYSA-N 263.356 4.827 30 10 CJEE CCCCCCCCCCC[C@H](O)[C@@H](C)CCOC 159230546 ZKUDMCDOYLYCNP-IRXDYDNUSA-N 272.473 4.941 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(-c2ccccc2)cc1 161160698 SIYFDVCLJAZULS-LJQANCHMSA-N 265.400 4.970 30 10 CJEE Cc1cc(Cl)ccc1OCc1ccc(C#N)cc1Cl 162969737 WMUDMFNZRJCBRT-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C[C@H]1CC=CC[C@H]1COc1ccc(C(F)(F)F)c(C#N)c1 164499204 QYSMQNLASACXOL-RYUDHWBXSA-N 295.304 4.558 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1OCC[C@H]1C 165078093 XSGNLGZZBSTWKY-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE C#CCCC[C@@H](NCCC)C1(OCC)CCC(C)(C)CC1 166724438 AZKMYSRWHDTTGU-QGZVFWFLSA-N 293.495 4.534 30 10 CJEE CCC[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(C#N)c1 211427653 VLCPOTXRSOLCFG-CYBMUJFWSA-N 296.336 4.736 30 10 CJEE CCSc1cccc(Oc2cccc(C)c2F)c1C#N 232319121 XTUZGTQZRHGQIT-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccc(C)nc1 233124717 VKTVKEIVJLUQBK-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(C)s1 233544516 DXVBZGMOXUXPGD-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE C=CCCCCC[C@H](Cc1c(F)cccc1F)NCC 233602896 NZJUKXFHVCNTIR-CQSZACIVSA-N 281.390 4.622 30 10 CJEE CCSCC[C@@H](C)Nc1ccc(C#N)c2ccccc12 233830769 CRRJZEVZAJRJGQ-CYBMUJFWSA-N 284.428 4.655 30 10 CJEE C=CCCCCC[C@@H](CSc1cccc(C)c1)NC 234424906 WOGOYOHOLPLIOE-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc3ccccc3c2)CC1 235699533 HNZLYGYQRZKKOD-CYBMUJFWSA-N 250.341 4.769 30 10 CJEE Cc1cc(Cl)ccc1[C@H](O)C1(C#N)CCCCCCC1 235765191 LYQSBYODWWJXCB-INIZCTEOSA-N 291.822 4.936 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)C1 251734943 JBQUVYABOSFZPQ-RSJGLCBASA-N 290.495 4.851 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C)C[C@H]1C 253291465 QQNFBVLSWVDTMU-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@H]1C(C)C 300515133 ALPGBPALLNJOSQ-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(C)cc1 308053168 ICZXVHMPZILWDK-IAGOWNOFSA-N 271.404 4.634 30 10 CJEE CO[C@H](CC1(C#N)CCC(C(C)(C)C)CC1)C(C)C 311700641 LZSISJAKWZNVPC-ISXOHVOVSA-N 265.441 4.794 30 10 CJEE C=C([C@H](NCC)c1cc2cc(C)ccc2o1)C(F)(F)F 312466985 BJKYYGJMODXRKH-AWEZNQCLSA-N 283.293 4.510 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C2C[C@H](C)C[C@@H](C)C2)C1 316615997 ALGLKQIESAJISM-ANQUJSFKSA-N 250.426 4.844 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)C[C@@H]1CCCc2ccccc21 317073890 ZQYMULUWGVDZHK-HFTRVMKXSA-N 256.389 4.502 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC2CCC2)c1 386271841 MICXCQLGUZBJHC-GOSISDBHSA-N 275.436 4.978 30 10 CJEE C=C(C)CCn1c(S)nc2cc(Cl)c(Cl)cc21 395344455 ZZYTYPSLBDCKGN-UHFFFAOYSA-N 287.215 4.598 30 10 CJEE CCCCCCCCCC[C@H](CC1(C)CC1)NN 401313292 YJXPYJKLPCUPFL-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCOc1ccc(C=O)c(F)c1 404052339 KGRAOPVGMCVBBM-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnsc1 404720616 KAHYPYCFJOWSTO-HNNXBMFYSA-N 268.470 4.934 30 10 CJEE N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)cc1 609616097 DWKQKNQNKSWUQU-UHFFFAOYSA-N 290.410 4.507 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)ccc1C 686695528 LJPUNQGWNPSGQR-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CCC[C@@H](CC)C1 686700972 IKCGFZVAOBSOAL-IEBWSBKVSA-N 275.480 4.909 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 691055329 VBMSZSYOLNDMOE-MLGOLLRUSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C)s1 692254022 LNSGQYPYQLWGLE-RRFJBIMHSA-N 263.450 4.842 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCOC1(C)C 693114870 WFCXATWAFHCISL-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC(C)(C)CC(F)(F)F 694009876 XIDBTRLSMVYPNM-CQSZACIVSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCNc2ccccc21 696978251 OJKZTBUCUYICOR-SJLPKXTDSA-N 275.436 4.697 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCOC2CCCCC2)C1 699948969 HISQEXJCFDSRFW-SJLPKXTDSA-N 280.452 4.901 30 10 CJEE C#C[C@H](NCc1cc(-c2ccccc2)cs1)C(C)(C)C 702259699 WQKBNQAAFIDBHH-KRWDZBQOSA-N 283.440 4.553 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@]1(C#N)CCc2ccccc2C1 704988528 ZZUJBVSPRAXWPW-ZTFGCOKTSA-N 253.389 4.512 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCC[C@@H]1C1CCCCC1 708490900 GFPLZEHXPIOBGB-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CCCCCCC[C@]1(C)[C@H](NCC)CCN1[C@@H](C)CC 712154867 UNTYXUPIPZBQMV-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@H](O)CC(C)(C)COC 712641692 BOOYLPZOAFFSLR-OAHLLOKOSA-N 258.446 4.551 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CCCS2)CC1 715817386 INBLXONMJRPDGU-SHARSMKWSA-N 251.439 4.628 30 10 CJEE CCCCCCCCCCC[C@@H](C[C@H]1CC12CC2)NN 722832322 JEIYDSJUDPSZGX-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C=C1CCC(C[C@H](NCC)C(C)(CC)CC)CC1 724589925 UMCDFIHBACZXPM-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(CC(=O)c2cc(Cl)ccc2OC)CC1 724590246 PTXOWAXIKJWVTK-UHFFFAOYSA-N 278.779 4.668 30 10 CJEE CCN(CC)c1ccc(N=Cc2ccc(Cl)cc2)cc1 1084027921 IAFGKWGCMWXZSI-UHFFFAOYSA-N 286.806 4.937 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)ccc1SCC 1125955401 SMHJZRGECCFELM-UHFFFAOYSA-N 297.851 4.993 30 10 CJEE C=CC(C)(C)CC(=O)Nc1onc(C2CCCCC2)c1C 1129480999 KVWSLCVIYNXHNG-UHFFFAOYSA-N 290.407 4.572 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)c1ccccc1 1129904349 RDSSRUXTTAQJKT-AEFFLSMTSA-N 299.458 4.679 30 10 CJEE C=CC[C@@H](C(=O)N(C)CCC1CCCCC1)c1ccccc1 1136528325 FNYVIYHDYDUCHW-LJQANCHMSA-N 299.458 4.775 30 10 CJEE C#CCOc1ccccc1NC[C@@H](C)CC1CCCCC1 1202050931 RDFVDVUJJAOODL-INIZCTEOSA-N 285.431 4.717 30 10 CJEE C=CC(C)(C)CCCNCc1cc2cc(F)ccc2o1 1203573230 XIJJISVQFLWWCV-UHFFFAOYSA-N 275.367 4.654 30 10 CJEE C=CCN(C[C@H]1C(C)=CCC[C@H]1C)c1ccccc1 1205442765 POFXUEPMWOOMDG-AEFFLSMTSA-N 255.405 4.671 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)c1cc(F)ccc1N(C)C 1207862132 SFYKSDPAARWSEP-GJZGRUSLSA-N 292.442 4.677 30 10 CJEE C=CCC1(CNC(=O)[C@@H](C)CCCCCC)CCCC1 1272426320 NEOJHLZOMLFKDX-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 1274904925 WXZQNGNFLDLUCP-QZTJIDSGSA-N 291.479 4.846 30 10 CJEE CO[C@H](CSc1ccc(C#N)cc1Cl)C1CCCC1 1307317710 KJABKCAZDIBIJA-CQSZACIVSA-N 295.835 4.509 30 10 CJEE C=CC1(CC(=O)N(C)C2CCCCCC2)CCCCC1 1352193070 WCQARRFKQIGEQZ-UHFFFAOYSA-N 277.452 4.694 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1coc2ccc(C(C)C)cc12 1459616543 IYMWKBIEBKAYEX-CQSZACIVSA-N 285.387 4.641 30 10 CJEE C=C(Cl)CN1CCC[C@@]1(C)Cc1ccc(Cl)s1 1460868891 FFGIRBGUHBCCJZ-ZDUSSCGKSA-N 290.259 4.551 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CCCC[C@@H]1CC 1461984011 WCMOFKNFBLRUGJ-VQTJNVASSA-N 285.475 4.934 30 10 CJEE C=CCCCCCCCNc1ncnc2c(F)cccc12 1472799155 KXNOBDUNZSGGFB-UHFFFAOYSA-N 287.382 4.707 30 10 CJEE C=C(CC)CN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 1473127903 LCNMHOGKOLUUTG-NSHDSACASA-N 272.219 4.952 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc(Cl)c1C 1475817205 AHDUOWPUVPHLQP-UHFFFAOYSA-N 280.799 4.515 30 10 CJEE C=CC[C@@H]1N(C(=O)CCC2CCCC2)CCCC1(C)C 1519871429 WFVHDOFUHVQFPO-INIZCTEOSA-N 277.452 4.550 30 10 CJEE C=CCC1(CNC(=O)c2cc(Cl)ccc2C)CCCC1 1521315775 DPSOJZFVTMZJQZ-UHFFFAOYSA-N 291.822 4.515 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CCCCCC 1531922477 AYKSPRBAVXCTDO-GVDBMIGSSA-N 279.468 4.844 30 10 CJEE C=CCN(CCc1ccco1)CC[C@@H]1CCC[C@@H](C)C1 1559689713 VIZPPXYMUMNQOV-SJORKVTESA-N 275.436 4.527 30 10 CJEE C=CCN(C[C@H]1CCCC(C)(C)C1)c1ccccc1 1560765818 VRVUQOAFLSZGDI-INIZCTEOSA-N 257.421 4.895 30 10 CJEE C#Cc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c(Cl)c1 1561031036 CUECAYAWLZCOBR-ZURLZEQWSA-N 285.818 4.558 30 10 CJEE C#CC1(NC(=O)C[C@@H](C)CCCCCCCC)CCCC1 1596345249 WGBIEAYQZRDGOB-KRWDZBQOSA-N 291.479 4.825 30 10 CJEE C=CCC[C@H](NC[C@H](OC)c1ccccc1)c1ccccc1 1616738041 JTGWTCYKWGDWNR-PMACEKPBSA-N 295.426 4.671 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(CCCCC)cc1 1622766875 SLXWTLNTYMJRJP-MRXNPFEDSA-N 288.435 4.896 30 10 CJEE C=CCC1(NC(=O)N[C@@H](CCC)C(C)(C)C)CCCCC1 1635384200 DXUSAKKPEFYELG-HNNXBMFYSA-N 294.483 4.779 30 10 CJEE C#CC[C@H]1CCN(Cc2ccc(C3CCCCC3)cc2)C1 1648292989 KMFOYXQKAHJQQI-KRWDZBQOSA-N 281.443 4.580 30 10 CJEE C#CCCN(Cc1ccc(-c2ccc(C)cc2)s1)C(C)C 1657077285 JIRISRCXNJDGOF-UHFFFAOYSA-N 297.467 4.957 30 10 CJEE C=C(CNCc1cc(C(C)(C)C)oc1C)c1ccccc1 1657110864 FFCGCANDFKKIIK-UHFFFAOYSA-N 283.415 4.689 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2cccc3ccccc23)C1 1659142329 ICWAJHBCVJNGOZ-DLBZAZTESA-N 277.411 4.636 30 10 CJEE C=CCN(C)Cc1ccc(-c2ccccc2)c(Cl)c1 1659528560 UATOSEVMKMGNOJ-UHFFFAOYSA-N 271.791 4.625 30 10 CJEE C=CCCC(C)(C)CN[C@H]1C[C@H](OCCCC)C1(C)C 1659808520 LWGLSGKVGFWENL-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE C=CCCCCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)S2 1660804363 IWCAAIXENKOLCM-WZYMTQMTSA-N 267.482 4.528 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccccc1 1665552941 VNVPLJIJGZTZKR-NXHRZFHOSA-N 257.421 4.862 30 10 CJEE CCCC[C@@H](CC)N(C)C[C@H](C#N)C1CCCCC1 1879301202 REITUCRAZYFUFS-DLBZAZTESA-N 264.457 4.607 30 10 CJEE CCCC[C@H](CC)N=C1N[C@H](CC2CCCC2)CS1 1879352679 GARSIZVHTRCMTF-LSDHHAIUSA-N 282.497 4.597 30 10 CJEE CC#CCCCC1(CNC2CC2)CCC(C)(C)CC1 1879644380 OAIKQKCNDLMQDD-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCN1C(=O)CC12CCCC2 1883845939 DKZKNOIYPKODDU-UHFFFAOYSA-N 265.441 4.672 30 10 CJEE C=CCCCCCN(C)[C@H]1CCCC[C@@H]1C(F)(F)F 1884235188 LVGKUXSVPGNNPO-KBPBESRZSA-N 277.374 4.786 30 10 CJEE 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4.502 30 10 CJEE C=C(C)CCCNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2218835231 KLALPFBLAKMGBN-UHFFFAOYSA-N 289.162 4.670 30 10 CJEE C=CCCCCCCCNc1cncc(Cl)c1C 2220092210 JSFQQMYJIBILRH-UHFFFAOYSA-N 266.816 4.982 30 10 CJEE C=CCCCCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1 2222252555 RGQCWGQCPKNMMZ-HOTGVXAUSA-N 251.458 4.879 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]2C(F)(F)F)CCC(F)(F)CC1 2224453513 HJSQONMYZDCTLU-ZJUUUORDSA-N 281.268 4.684 30 10 CJEE C=CCCCC[C@H](O)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225316618 HIKCIUBVEBCSGZ-XGUBFFRZSA-N 272.379 4.555 30 10 CJEE CC(C)(C)CCC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2225675206 ULEIPRHSFMIDAA-LBPRGKRZSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCC[C@H](N)C1C[C@@H]2[C@@H](C1)C2(F)F 2227280736 COKSPMMNYAEYMS-KFWWJZLASA-N 271.395 4.522 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 2227290965 MHYKZEKXKBMTMP-AVEIZBFRSA-N 262.437 4.700 30 10 CJEE Cc1sc(CN(C)C[C@@H](CS)C(C)(C)C)c(C)c1C 2228644673 ZPHXGIZOFIPSNO-AWEZNQCLSA-N 299.549 4.697 30 10 CJEE 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ZILVUHLJRFTQBD-GOSISDBHSA-N 275.436 4.570 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccccc1 185218895 FTZRSGDHVDTCOX-SJLPKXTDSA-N 285.431 4.733 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218321484 JOLUGZDZHSPJSQ-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C=C(C)C[C@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 227522683 YBEBEJUJHRELHT-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(OCC)CCC[C@@H](C)C1 227748160 ASVJMSZHBWCAPS-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](COCC(F)(F)F)NC 232358771 HHKFZVUUCIAEFC-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(Cl)cc1F 232514981 RJLFOOJVKFZGPA-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE Cc1ccc(N(CCC(C)C)CCC(C)C)c(C#N)c1 232552889 OTMFBLJYMLCNDE-UHFFFAOYSA-N 272.436 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCO[C@H]1CC 232917900 PJPTZHZJNMPVJF-WBVHZDCISA-N 268.441 4.901 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)o1 232947683 MRKGLHLVRPYCIK-CYBMUJFWSA-N 286.847 4.968 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1SCC 232949777 LSCIIBMXCRNWGX-JYJNAYRXSA-N 271.514 4.999 30 10 CJEE C=CCCCCCOc1ccc([C@@H](C)NCC)cc1F 233617696 JEASEINTJRCSJH-CQSZACIVSA-N 279.399 4.621 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc(Cl)ccc2Cl)cc1 235887592 STENWRUYCDPQEH-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE Cc1ccc2cc(C(=O)C3=CCCCCC3)ccc2n1 235995311 NMRASUBXMYKSDU-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1/C=C/C(=O)O 236446209 VOIDLWFIKDEMOK-ZHACJKMWSA-N 294.778 4.563 30 10 CJEE C=CCc1ccccc1N(C(=C)C)C(=O)OC(C)(C)C 238108553 URHCNJTVDDSJLL-UHFFFAOYSA-N 273.376 4.690 30 10 CJEE CCCN(CC1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 249862036 AMURHKZLPVUDSI-RCCFBDPRSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCCC[C@H]1CN 250811481 HRDVIYANCDRRKR-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@H]1c1ccccc1 250829858 QFFHWJVGBDFPCP-SZMVWBNQSA-N 259.437 4.881 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@H](C)[C@H]2C)CC1 252551125 PKBSTGCISQMGHE-QNVOQPSNSA-N 277.452 4.674 30 10 CJEE N#Cc1cccc2nc([C@@H]3CC[C@H]4CCCC[C@H]4C3)[nH]c12 252849758 IMONWRNOSWXFST-HZSPNIEDSA-N 279.387 4.508 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCCC(F)(F)C2)CC1 305925681 CNKDKRIOJDWZHW-ROKHWSDSSA-N 255.352 4.922 30 10 CJEE C=CCCC(=O)c1cc(Cl)c(C)cc1Br 308787097 FZMQTLCXSCPBIU-UHFFFAOYSA-N 287.584 4.560 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CC#Cc2ccccc2)C1 311584481 VRXIITGLAZXQBN-SJLPKXTDSA-N 251.373 4.538 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2nccc3ccccc23)C1 312449198 OGDFHTJFFBXEPU-KSSFIOAISA-N 264.372 4.596 30 10 CJEE N#C[C@@]1(Nc2cccc(F)c2)CCCCC12CCCC2 312829376 UJULLHKNDVBXAN-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE C[C@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)c2ccccc21 313609499 COINFFORWVZOHM-MEDUHNTESA-N 282.774 4.872 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C2(C=O)CCCCCCC2)C1 316812296 OJWOLSXUPOBBMD-ZSHCYNCHSA-N 250.426 4.988 30 10 CJEE CC#CCCC1(CNCCC)CCC(C(C)C)CC1 317866196 LBLSQKYWTWUSSQ-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CC(C)(C)C#CCC1(CNC2CC2)CCC(C)(C)CC1 319376971 IOWDGDGGPMGFGX-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CCC[C@@](C#N)(Nc1cccc(Cl)c1)C1CCC1 322480926 TXVIGMRZPIIHAQ-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCCCCCCCC(=O)c1cc(OC)ncc1F 380592246 LUGFOYFXWZEURG-UHFFFAOYSA-N 281.371 4.553 30 10 CJEE C=C(CC)C[C@H](N)c1ccc(OCc2ccccc2)cc1 381895893 GFYQDQFYDFSRDG-IBGZPJMESA-N 281.399 4.622 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCCC1(F)F)NN 381984252 WVMCCEHCKCYELD-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE C=CCCCCCCn1c(S)nc2c(C)cccc21 389072919 XNDSZSRRWVASMF-UHFFFAOYSA-N 274.433 4.770 30 10 CJEE N#CCCCCCNc1ccc(Cl)c(C(F)(F)F)c1 395304129 BYPWCMHYURSZTK-UHFFFAOYSA-N 290.716 4.855 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C)CC(F)(F)F 402981711 HBHFQCWIYJVECS-RYUDHWBXSA-N 254.336 4.686 30 10 CJEE CCCCCCCCC(=O)CN(CC)C(=O)OC(C)(C)C 405469008 CHJXQFDHOXFZEE-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](CCC)c1ccc(F)cc1F 466424863 HMOGKTADIAXRTQ-BLLLJJGKSA-N 295.373 4.525 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@H](CC(C)C)C1 686683094 FNVCOLXJVJWQQB-SJORKVTESA-N 250.426 4.538 30 10 CJEE CC1(C)C[C@]1(C#N)CC1(c2ccccc2)CCCC1 686734899 IYSSWBAGEPLOJP-GOSISDBHSA-N 253.389 4.828 30 10 CJEE CCCC1(CNc2ccc(C(C)(C)C#N)cc2)CCC1 687528404 VORVFGPVTAPQKW-UHFFFAOYSA-N 270.420 4.870 30 10 CJEE CC(C)(C)C[C@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688280839 VOCRKICQTHIIMW-KRWDZBQOSA-N 279.468 4.920 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCCC[C@H]2C(C)C)c1 691041962 JOUJMWKTJKIPKD-ZWKOTPCHSA-N 255.405 4.685 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCOC2CCCCC2)C1 699948967 HISQEXJCFDSRFW-AEFFLSMTSA-N 280.452 4.901 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)Oc1ccccc1 700357298 UBEBBSKLAVIXLM-IRXDYDNUSA-N 277.452 4.793 30 10 CJEE CCCCCCCNc1ccc(N)c2cnc(C)cc12 703711218 BIOXHONJCIBCPA-UHFFFAOYSA-N 271.408 4.508 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(F)c(C)cc1F 703995025 BEPIBRFRFXJCFZ-CYBMUJFWSA-N 281.390 4.916 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1ccccc1F 703996236 RCXXOFJKTNCRJD-MRXNPFEDSA-N 263.400 4.859 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CCCC12CC2 706268970 RAZLNSXJBRYRDE-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C 710768301 QZTCWVFTNQUIKS-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE CC#CCC[C@H](NCCC)[C@]1(C)CC[C@@H](C)C1(C)C 710806014 DTBYGNAOFSNWGV-RYRKJORJSA-N 263.469 4.621 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@@H](CC)C(C)(C)C 711085921 YURYDKXRJSKOPA-HZPDHXFCSA-N 265.485 4.867 30 10 CJEE C=C(C)CC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712559951 CPVBKNZREWKYHG-GFCCVEGCSA-N 277.717 4.715 30 10 CJEE CCCCCCCCC[C@H](O)C1CC(C2CC2)C1 714424273 NSLCFDYHMPDKCJ-JCYILVPMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@H](COC1CCC1)NCC 714894265 WQNAANAPHQJDPZ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CC(C)(C#N)CCCCN[C@H](C1CCCCC1)C1CC1 723968563 IYIZMXNYCLPSAD-QGZVFWFLSA-N 276.468 4.655 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCCC2(C)C)CC1 724618946 QTVHLLSBHVYHMD-SJORKVTESA-N 263.469 4.927 30 10 CJEE N#CCc1ccc2cc(C(F)(F)F)sc2c1C(F)F 725277600 QXVKMJJESNSHSZ-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CC(=NNc1cccc(F)c1F)[C@H](C)c1ccccc1 746372557 RSYSHUJGFOWXRR-NSHDSACASA-N 274.314 4.556 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1126294773 OQHKJBKLFODIFO-ISARSNTHSA-N 299.458 4.677 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)C2CCC(C)CC2)CCCC1 1131251549 PYTBERCQHAECJK-OFLPRAFFSA-N 291.479 4.844 30 10 CJEE C=CCCCCCN(C)[C@@H](CC)c1ccccc1OC 1170783069 LMOWZQMDWINZJW-KRWDZBQOSA-N 275.436 4.825 30 10 CJEE C=CCCc1ccccc1NCc1cc(F)cc(OC)c1 1178552864 IBXTZGPXXZCSHK-UHFFFAOYSA-N 285.362 4.565 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)c1cc2ccccc2o1 1180925770 AFQSPZJLDYFXQW-UKRRQHHQSA-N 257.377 4.828 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1181880094 MHPQSWQBWRTJHI-NVXWUHKLSA-N 277.839 4.607 30 10 CJEE C=CCC[C@@H](C)N[C@H](C(=C)C)c1ccc(F)c(F)c1 1205435099 VQCGZXOIAYCUBO-MLGOLLRUSA-N 265.347 4.526 30 10 CJEE C=CCCC1(CNC(=O)NCCCC(C)(C)C)CCCC1 1228479189 PJFFLPCBHNJWPI-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CCc2cc(Cl)ccc21 1267278010 SSBZCIVJHBHVNA-MRXNPFEDSA-N 290.790 4.639 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 1297734593 BOCXSLMRVIRKAR-FQEVSTJZSA-N 299.458 4.559 30 10 CJEE C=CCCCCOc1ccc(Br)c(Cl)c1 1459122437 FZQMKZBQGQLFFB-UHFFFAOYSA-N 289.600 4.838 30 10 CJEE C#CCCCCCCN[C@H](CCC)c1ccc(F)cc1F 1459817418 MAKATNOUJKGMJB-GOSISDBHSA-N 293.401 4.979 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@H]1CCCCC1(C)C 1530308869 HTIJDSHCFSGICQ-MRXNPFEDSA-N 279.468 4.798 30 10 CJEE C=CC1(CC(=O)NCC2(C)CCCCCC2)CCCCC1 1535077189 QZAVZAZWPNRRMD-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCC(C)(C)C(=O)Oc1ccc2ccc(C)cc2c1 1537204519 PDHXQMIRNLFKKX-UHFFFAOYSA-N 268.356 4.656 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCC2(CCCCCC2)C1 1545108505 KBESDZNYIYBXDD-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=C(C)CCN(Cc1ccccc1F)C1CCCCC1 1559660845 FERDWMWBGDBSLX-UHFFFAOYSA-N 275.411 4.927 30 10 CJEE C=CCCC(C)(C)CNCc1cc(C)c2ncccc2c1 1560554921 SARDNTQCCRBMAZ-UHFFFAOYSA-N 282.431 4.625 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc2ccccc2[nH]1 1560803132 NOZDLLKNTOMSDN-UHFFFAOYSA-N 290.410 4.746 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCN(C2CCCCC2)C1 1560937297 AKSSXOMFYGOYHU-ZWKOTPCHSA-N 292.511 4.508 30 10 CJEE C=CCCCC[C@H](C)Nc1cccc(O[C@@H](C)CC)n1 1560977466 GVLNMWGGTTYGMW-GJZGRUSLSA-N 276.424 4.806 30 10 CJEE C=C[C@H](CC(=O)N[C@H](CCCC)C1CCC1)c1ccccc1 1566414266 VHVNMLBFCWCIJK-VQIMIIECSA-N 299.458 4.821 30 10 CJEE Cc1cc(C)c(C#N)c(SCC2CCCCCC2)n1 1613189976 FDHFAXVWGPURSZ-UHFFFAOYSA-N 274.433 4.633 30 10 CJEE CCc1ccc([C@@H](C)NCCC2(C#N)CCCCC2)cc1 1616720460 GJIAMQPDJVMFPT-MRXNPFEDSA-N 284.447 4.764 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(F)c(Cl)cc2OC)C1 1621540530 PEFXHJAJKQUISJ-MNOVXSKESA-N 283.774 4.644 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@]2(C)CCCC[C@H]2C)c1 1628033640 GNWBEMPMDIJOPG-KDOFPFPSSA-N 286.419 4.810 30 10 CJEE C=CCCCCCN(C)C[C@@H](CC)c1ccccc1 1651932582 SHQUGBMJFLFCJR-QGZVFWFLSA-N 259.437 4.858 30 10 CJEE C=CC[C@@H]1CCN(CCCSc2ccccc2Cl)C1 1655175850 RFNDSCFNRPADQY-CQSZACIVSA-N 295.879 4.720 30 10 CJEE C=CCC1(NCc2cc3ccccc3n2C)CCCCC1 1657962356 CXYJWOBUNBQACX-UHFFFAOYSA-N 282.431 4.547 30 10 CJEE C=CCCCCCCNC(=O)NC1(CC=C)CCCCC1 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CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCCCC2)C1 37145802 HYORBXOZQGZGAX-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CC[C@@H](C)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37155987 HSYHAQAYACBFPY-DZUCGIPZSA-N 273.445 4.994 30 10 CJEE CCCCCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 37343993 ISYUVNQJAOICAA-SNVBAGLBSA-N 284.186 4.750 30 10 CJEE N#C[C@H](C(=O)c1ccc(Cl)s1)c1ccccc1Cl 51172181 VUUCOOTWMJATBE-VIFPVBQESA-N 296.178 4.545 30 10 CJEE Cc1ccc([C@H](C#N)CCCOc2cccc(C)c2)cc1 57684739 ZQOFEIYHRLIWHA-SFHVURJKSA-N 279.383 4.770 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2ccccc2F)c1 57686406 YSROVFZDDDWEJZ-HNNXBMFYSA-N 283.346 4.601 30 10 CJEE CCCCCCCCOCC(=O)c1cccc(Cl)c1 59526302 XFJDAKAPMXKSNX-UHFFFAOYSA-N 282.811 4.900 30 10 CJEE C=CCC[C@H](NCCC)c1cc(Br)cs1 70599442 UANMSDZIYTVAGI-NSHDSACASA-N 288.254 4.518 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1ccc(Cl)c(F)c1 71389879 CZQSFDAOLXCQBG-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C[C@H]1CC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 85017789 ANQUXIXPOSQRKT-GMXVVIOVSA-N 297.320 4.781 30 10 CJEE SCCCCSc1ccc(Cl)c(Cl)c1 87098357 LTSYMUIDBQLJJX-UHFFFAOYSA-N 267.246 4.796 30 10 CJEE CCC(CC)(CS)CSc1cccc(F)c1 87114941 KFUZIHNJZJDKBA-UHFFFAOYSA-N 258.427 4.654 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297212 ABEMLAMCHGISHL-CPUCHLNUSA-N 271.429 4.986 30 10 CJEE CC(C)CC1(C(=O)[C@H](C#N)c2ccccc2F)CCCC1 94902762 OANPYZNBSOUFRL-OAHLLOKOSA-N 287.378 4.608 30 10 CJEE C=C(CC)C[C@@H](Cc1ccc(F)cc1Cl)NCCC 97208687 HOTKPRDBNUXKSK-HNNXBMFYSA-N 283.818 4.746 30 10 CJEE CC[C@@H](C)NC1(C#N)CCCCCCCCCCC1 103970921 OVOZSCSRVALONA-MRXNPFEDSA-N 264.457 4.942 30 10 CJEE N#Cc1ccc(Nc2ccc(F)c(Cl)c2)cc1Cl 104195137 PARAXGWVDIVUHN-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCCCNCCN1CCCCC1 105927842 RKDBJPSLYCOVQU-UHFFFAOYSA-N 296.543 4.983 30 10 CJEE CCCCCCCCCN1CCCOc2ccc(N)cc21 106605800 KTPFJNGXNNCDQH-UHFFFAOYSA-N 290.451 4.608 30 10 CJEE C=CC[C@@H](C)c1cc(Br)ccc1OCCC 107588609 ZWRVUAOSOGSAPQ-LLVKDONJSA-N 283.209 4.918 30 10 CJEE CCCCCCCCCCn1nc(C)c([C@H](C)N)c1C 108042158 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CCCCCCC[C@H](O)CCCc1cccs1 135359900 KDFOEZQIYMQJDN-AWEZNQCLSA-N 254.439 4.792 30 10 CJEE CSc1cccc(Sc2ccc(C)cc2)c1C#N 136988497 QEFXWTLZIDMENQ-UHFFFAOYSA-N 271.410 4.740 30 10 CJEE CCCCCCCCC[C@H](CCOCC)NCCC 139407046 ZCWYTZOUUFHRHX-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCCCC1 163989675 LQQSFTJFUAATPE-LLVKDONJSA-N 296.336 4.958 30 10 CJEE CCCCCCCC(=O)c1ccc(F)c(F)c1F 164710665 PZDZDFCAVRNBFO-UHFFFAOYSA-N 258.283 4.647 30 10 CJEE CCCCCCC[C@H](Cc1ccc2c(c1)CCC2)NC 167483315 YHJZSYDLSGKEMU-LJQANCHMSA-N 273.464 4.666 30 10 CJEE Cc1cc(Oc2c(C)cccc2C#N)cc(C)c1Cl 221143893 VIIVRDLCGNZHPJ-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncc(C)cc1C 227564129 QXAGRBFIKAFQRE-MRXNPFEDSA-N 262.441 4.839 30 10 CJEE CCCCCCC[C@H](NC)c1cc(Cl)cc2c1OCC2 228473614 CJXBTEZLXOKZFK-INIZCTEOSA-N 295.854 4.896 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2nc3ccccc3s2)C1 228475052 IYUQGXXWYMPZLD-BLLLJJGKSA-N 270.401 4.559 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(Cl)ccc1C 229759122 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CJEE CCC[C@H](Nc1ccc(C#N)c(F)c1)c1ccccc1 307920844 ASLNOVUWFFCLJN-KRWDZBQOSA-N 268.335 4.651 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CC2CCC1CC2 310923188 AUMDYXVUFHDHBQ-SJJHQCBESA-N 251.458 4.761 30 10 CJEE O=CC1(C[C@H]2CCC(F)(F)C2)CCCCCCC1 317035606 VNWBPSPNRPWDJN-CYBMUJFWSA-N 258.352 4.742 30 10 CJEE C[C@]1(CC#N)CC[C@]2(CCCC[C@H]2c2ccccc2)O1 380484464 AZFDFYCOQLSBTI-KSZLIROESA-N 269.388 4.566 30 10 CJEE C=CCCCCC[C@@H](NC)c1cnc2ccccc2c1 383287342 UPUYEMIFNLNTFA-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE Cc1ccc(C#Cc2ccc(Cl)c(Cl)c2)s1 383502514 BMUNQZSHNJFICG-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc2ccsc12 386316440 BZVFJEISCFFYLX-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=CCC(C)(C)CN[C@@H](c1ccc(C)cc1)C1CC1 388897482 KLRNTARUCGHZDA-KRWDZBQOSA-N 257.421 4.638 30 10 CJEE C=CCC(C)(C)CN[C@H](c1ccc(C)cc1)C1CC1 388897485 KLRNTARUCGHZDA-QGZVFWFLSA-N 257.421 4.638 30 10 CJEE C=C(Br)CSc1ccc(C(C)(C)C)cc1 389579541 GDKUQNMSCJMPRQ-UHFFFAOYSA-N 285.250 4.985 30 10 CJEE CCCCCCC[C@H](C)NCC1(C2CC2)CCC1 391539927 IEQRJEQJBZGOMV-HNNXBMFYSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cc2ccccc2s1 393774946 DMDNVKQBQHPFDC-GXTWGEPZSA-N 259.418 4.907 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cc(Cl)ccc1Cl 393807360 PZPNZQWCMUKOMX-CMPLNLGQSA-N 272.219 4.999 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CC[C@@H](CC)C1 402427841 FKICXZNVRHKAPP-FRRDWIJNSA-N 264.331 4.751 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 464438999 NOOCEEKOJDULMQ-GJZGRUSLSA-N 299.414 4.945 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CCC[C@H](CC)C1 686679877 TUHKYIAWFZLQCC-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1cc(C#N)ccc1Cl 689778938 RZEKOGQPYXCEHV-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE C=C(CC)CNc1ccc(SC(F)(F)F)cc1 690180340 OTKRYVDUGRAUGX-UHFFFAOYSA-N 261.312 4.677 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC)c(Cl)c1 692240084 NDVYHSVDHQOQQZ-GDBMZVCRSA-N 293.838 4.573 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCOC1(C)C 693170748 JUTXUYPDUOJPDF-KRWDZBQOSA-N 269.473 4.532 30 10 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CCC#C[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1 2225435618 DNDCMWSMFRSLTK-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC(C)(C)C#CC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2225504849 VYUOAAMJLOUQMZ-UHFFFAOYSA-N 288.696 4.591 30 10 CJEE C=CCCCCCCCNCCc1cccc(Cl)c1 2227267038 BPDLITYJQVHEKJ-UHFFFAOYSA-N 279.855 4.999 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]21 2227271834 BQQDABDEVZDPIO-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H](O)CCCCCC 2227275880 ZEDZXBOBBZBWDY-DLBZAZTESA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@@H]2CSC[C@@H]2C1 2227278931 FJJATACVIZLJIA-BJWYYQGGSA-N 281.509 4.586 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CCC[C@@H](C)C1 2227286224 MJUQHTVREJONSK-IKGGRYGDSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NC 2227289670 BGINOQDUIHLRKP-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)Oc1c(CNC(C)C)sc(C)c1C 2229227883 WQZKWGYOVJDLNY-UHFFFAOYSA-N 281.465 4.596 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@@H]1CC2CCC1CC2 2231493884 WIWOGZKIWAIMIJ-OBQMCRIKSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2231930194 PDRAAZZPJCLSER-XQLPTFJDSA-N 273.411 4.759 30 10 CJEE CCCCCCCC[C@H](C)NCCOCCC1CC1 2231934073 CURLGBWIJHMWSC-INIZCTEOSA-N 269.473 4.532 30 10 CJEE COc1c(C(=O)C2=CCCCCC2)cccc1C(C)C 2233151487 GYIFIOABEBATNC-UHFFFAOYSA-N 272.388 4.892 30 10 CJEE C=CC1(C[C@@H](O)[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233648017 KVRWHOMVTCOCFB-LXTVHRRPSA-N 284.390 4.555 30 10 CJEE C=CCCCCCCCCO[C@@H]1C[C@@H](C)C[C@@H](NC)C1 2234039615 AXVFOTNMQISFTD-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NC)c1sc(C)cc1C 2234198918 HUSPUEIHCJSELS-HZPDHXFCSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@@H](N)C[C@@H]1CCC2(CCC2)O1 2235512863 GNWSRWPAIVTCLD-SJORKVTESA-N 279.468 4.722 30 10 CJEE C=CCCCCCCCNc1ccc2c(c1)ncn2C 2235519760 SZBWUIZYYMAFDE-UHFFFAOYSA-N 271.408 4.512 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1ccccc1OC 2235523355 FASLZZFZIOMBNF-GOSISDBHSA-N 275.436 4.786 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@](C)(O)[C@@H](C)CC 2235525391 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C=C[C@H](CCCCC)O[C@@](CC)(C[C@H](C)CC)C(=O)O 2239500466 DEHAHCQKBZXRSY-INMHGKMJSA-N 284.440 4.808 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](NC)c1ccccc1Cl 2239502830 OTSLIBZLEFCNOJ-RHSMWYFYSA-N 295.854 4.752 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCCC[C@@H]1NCCC 2239511087 RLGMMVIUADUCPN-SQNIBIBYSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCO[C@@](CCC)(C(=O)O)C(F)F 2239527721 FEHQGMXSDWXULL-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE CCCCCCCCCOC(=O)c1cc(C)cc(Cl)n1 2239530615 PJEVREANMRDGNZ-UHFFFAOYSA-N 297.826 4.951 30 10 CJEE N[C@@H](C#Cc1cccc(Cl)c1)c1csc2ccccc12 2239566384 AKBMKNGELBKLHM-INIZCTEOSA-N 297.810 4.606 30 10 CJEE CCC[C@H]1CC[C@H]([C@@H](N)C#Cc2cccc(Cl)c2)CC1 2239568508 LIUFJEXQPCPHLT-ZVZYQTTQSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCCC[C@H](C)C1 2240564133 AOACWIPWWHNNHX-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@]1(CN)CC[C@@H](CC)C1 2240620373 SRRKHPYLBJUINR-SQNIBIBYSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc2cncn2c1 2240638649 WOEYLJXNPKJPAP-HNNXBMFYSA-N 273.424 4.885 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NCC)c1ccsc1 2240639891 KGINZNFFACMVME-DLBZAZTESA-N 297.508 4.900 30 10 CJEE C=CC=CCC[C@@H](NC)[C@](C)(O)CCCCCCCC 2240642934 RSTXGPBGKKRZEC-QZTJIDSGSA-N 281.484 4.598 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCC(C)(C)CO1 2240650355 SGKKPYWEWFROGG-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1c(C)csc1C 2240665470 CUHVGDWCKJDOKE-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](OCC)C(F)(F)F 2240667055 SEDWTJFNQRVCIF-ZIAGYGMSSA-N 297.405 4.683 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)c1ccc(CC)s1 2240667237 ULDUQXJBPHKVEA-KRWDZBQOSA-N 296.476 4.995 30 10 CJEE C=C(C)CCCCSc1ccc(N)c(Cl)c1 2244634521 PMNXKJPNOLLKOS-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE C=CCCCSc1nc(Cl)c([C@H](C)NCC)s1 2250073875 OYWVMVATKGGJTP-VIFPVBQESA-N 290.885 4.525 30 10 CJEE C=CCCCSC[C@H](NCCC)C1(C)CCCC1 2258977488 BGJCQQMEIGWULG-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCCSCC1(CN)CCCC1 2258985075 HRPMRHJKYBZBMZ-UHFFFAOYSA-N 269.498 4.765 30 10 CJEE C=CCCCCCCCSC[C@H](N)C1CCCC1 2259060768 PXHMYTHWRGDKAM-INIZCTEOSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](C)[C@@H](N)C1 2259073328 YMWNLSHOSBWSBN-OAGGEKHMSA-N 269.498 4.762 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H](CC(C)(C)C)OC)C1 2259079151 YVPUHXGDYQMQTR-YCPHGPKFSA-N 251.414 4.548 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C(F)(F)CC1CC1 2259192729 JIAAWQIMHKOPEY-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCCCCC1(F)F 2259195034 OMWLFWGNVHNNHR-AWEZNQCLSA-N 259.384 4.538 30 10 CJEE C=C(C)CCCCN(C)CC1CC(C(C)(C)C)C1 2259242233 USXWTARBLXJNBT-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE C=C([C@H](CCC1CC(C)C1)NCCC)[Si](C)(C)C 2261491576 QRWZEJYZKUGQAV-BCLQGDPASA-N 267.533 4.615 30 10 CJEE CC#CCC[C@H](C[C@H]1CCCCC12CC2)NCCC 2264851386 HJHQLNWWYNNOIN-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CCC[C@H]1C(F)F)NCCC 2270076693 NGVQEBWTAYPGBY-GBJTYRQASA-N 273.411 4.638 30 10 CJEE C=CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C(=O)O 2271493780 WJCBRYPHSHBSJF-BFHYXJOUSA-N 284.465 4.601 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1nc(C2CC2)cs1 2271842196 UFRNIVUQUHXZDK-CQSZACIVSA-N 278.465 4.808 30 10 CJEE CCCCCCCC1(CNCC)CC2(CC(F)C2)C1 2272108506 OHJJLWOADYKWMU-UHFFFAOYSA-N 269.448 4.855 30 10 CJEE C=CCCCCCC[C@H](OCCCN)C(C)(C)CC 2276139506 HMTGQWVKSBMZIF-INIZCTEOSA-N 269.473 4.683 30 10 CJEE C=CCCCCC[C@@H](CC(C)(C)CC)OCCCN 2276209813 HECYCBSCIRQWSP-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@](C)(CC=C(C)C)OCCN 2276331244 MYJSHLDCEAIEGE-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCCCCCC[C@@H](CCC)OCCN 2276709640 DIJWZHDOEISUJL-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1cc(C)cs1 2277100483 QWKCKXMLTDTCIW-MRXNPFEDSA-N 283.481 4.608 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1CC(C)(C)C1 2277146604 WFDKNJUFHGFATF-MRXNPFEDSA-N 269.473 4.517 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2cc(Cl)cs2)CCC1 2277352160 QFFKVPUWQPILKX-CYBMUJFWSA-N 299.867 4.554 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ocnc1C 2278228047 DKKJPRFJHLHCRD-AWEZNQCLSA-N 266.429 4.602 30 10 CJEE 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2307638332 IROJVRSNRSXBJG-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE CC1(C)CC[C@@H](COCC2(CS)CCCCC2)C1 2319172426 XQBCMXHMQNWVEQ-CQSZACIVSA-N 270.482 4.710 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2320243653 MOYRIBFMPGTHQV-FXUDXRNXSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](C)CC(F)F)NCCC 2321095315 HTKLSYVHKGXTSO-STQMWFEESA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1sc(C)c(C)c1C 2321114200 VTELKJKHONIELO-CVEARBPZSA-N 265.466 4.926 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccc(C)cc2C)c1 2323144285 ALEHKRKJQZLMQK-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE C=CCC(CC=C)S[C@](CC)(CCCC)C(=O)O 2327201683 OUFLVDBXMHGKIJ-OAHLLOKOSA-N 270.438 4.664 30 10 CJEE CCC(=NOCc1ccccc1)c1ccc(SC)cc1 2330290091 QDRYYPMOCMRBGS-UHFFFAOYSA-N 285.412 4.739 30 10 CJEE CCCCCCCCCCC[C@@H](N)C[C@@H]1C[C@H]1OC 2331743968 MWGBOUIUWRCUGH-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCCCN 2334983179 AKDHLGAIYLHTIU-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(C)o1)[C@H](N)CC 2335101444 UWLZULLOKXMVRX-GDBMZVCRSA-N 279.449 4.620 30 10 CJEE CCCN[C@@H](C#CC1CC1)c1cc(Cl)c(Cl)cc1C 2337531916 OFTLAINVRMEFMI-INIZCTEOSA-N 296.241 4.756 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@](C)(CC)C(F)F 2338739777 YVNMNISQWLZXCL-HOCLYGCPSA-N 273.411 4.804 30 10 CJEE C#CCCCCCCN[C@@H]1CCCCC[C@H]1C(C)C 2338805364 RBHRRWFHZMMWGT-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE Cc1c(C[C@@]2(C#N)CCO[C@@H](C)C2)ccc(Cl)c1Cl 2338854356 NELURUXMLHHUHV-ZUZCIYMTSA-N 298.213 4.553 30 10 CJEE C#CC[C@H](CC(=O)c1ccc(Cl)c(Cl)c1C)C1CC1 2339045015 IUPOPXZBGDWKNU-GFCCVEGCSA-N 295.209 4.924 30 10 CJEE CC(C)(Cc1ccccc1)CC1(C#N)CCSCC1 2339447444 BFXMIBKKVHEZNC-UHFFFAOYSA-N 273.445 4.682 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CCCCC1CC1 2341410000 QPXMPSBFMSLZFK-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCC 2342337442 JIKREHPANHOOQX-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC(=O)[C@]12C[C@H](C[C@@H](C)O1)C2 2342803857 XIQXMJKTEXPGPY-INMHGKMJSA-N 266.425 4.654 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2343412877 SYNFVQDDJAGPSZ-BFVZDQMLSA-N 296.197 4.606 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1cccc(C(C)C)c1)NCC 2343744697 CVLGSHRIFUJVST-CRAIPNDOSA-N 259.437 4.543 30 10 CJEE CCC[C@@H](CS)COCc1cccc(C2CCC2)c1 2343797785 WTJYEUMRUDITNR-OAHLLOKOSA-N 278.461 4.817 30 10 CJEE C=CC[C@H](C)C(=O)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2344421246 QLWNFTQOMIECGZ-XDQVBPFNSA-N 270.363 4.619 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1c(C)cc(C)cc1C 2344421679 TZKAWBWGKQORRL-SFHVURJKSA-N 258.405 4.716 30 10 CJEE CC(C)C[C@@H]1CC[C@H]1N(C)C[C@@](C)(CS)C(C)(C)C 2352077959 GPCIGDUWSSSGBV-UXLLHSPISA-N 285.541 4.725 30 10 CJEE OCCCCCCCC#Cc1cccc2sccc12 2353033294 HSLWQKNBQFXCRS-UHFFFAOYSA-N 272.413 4.586 30 10 CJEE CCC[C@H](CC)C[C@@]1(C#N)CCOC12CCCCC2 2353416495 VKIZAQCTPXSDSJ-JKSUJKDBSA-N 263.425 4.836 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358665521 HOIXTJUEVNQYRI-JJXSEGSLSA-N 286.406 4.945 30 10 CJEE O=C1/C(=C/c2ccsc2)SC/C1=C/c1ccsc1 8555497 IICDGTDGBIROMG-VFWKFLPVSA-N 290.434 4.550 30 10 CJEE N#Cc1cc(NC2CC(c3ccccc3)C2)ccc1Cl 36973395 UPEPHVYLYPWKPV-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](n2cnc3cc(C)c(C)cc32)C1 37147263 FHGUUPZGNTYNJY-ZMSDIMECSA-N 281.403 4.544 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCCc2ccccc21 37938312 SXRXXJFRELMIQE-KRWDZBQOSA-N 282.774 4.507 30 10 CJEE CC(C)c1ccc2c(c1)[C@@H](C#N)CC1(CCCC1)O2 41325769 WRJKJVPXLLQCEH-CQSZACIVSA-N 255.361 4.512 30 10 CJEE Cc1ccc(Cl)cc1N[C@@H]1CCCCC[C@@H]1C#N 54822703 SHIOHWNFCHRLBX-TZMCWYRMSA-N 262.784 4.533 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(F)ccc1F 59290882 SIKANLDEVOWBLR-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 71159629 OWHZMAXNBUDFAV-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 88301530 ARCMIMLELMNDID-WDEREUQCSA-N 284.325 4.814 30 10 CJEE Cc1cc([C@@H](O)C2(C#N)CCC(C)(C)CC2)c(C)s1 91884143 SQGGHDSXULSQSZ-CQSZACIVSA-N 277.433 4.509 30 10 CJEE CCC[C@@H](CS)COc1ccc(OC)cc1C(C)(C)C 94583368 WZFSGGRIEDYEBZ-CYBMUJFWSA-N 296.476 4.718 30 10 CJEE CCC(CC)(CS)CSc1ccc(F)cc1F 94588919 FAZKABDHPGUGSU-UHFFFAOYSA-N 276.417 4.793 30 10 CJEE CCCCCCCCOCCNc1ccc(C)cc1 104014823 WBZFKHFRYMTDTK-UHFFFAOYSA-N 263.425 4.784 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(OCC(C)C)cc1C 107615692 LZUJHCOJWXOOSA-GOEBONIOSA-N 258.405 4.793 30 10 CJEE C=C[C@H](C)Cc1cc(OCC)c(OCC)cc1Cl 107678522 DFSVJPZUJWTMQR-NSHDSACASA-N 268.784 4.502 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(F)cc1F 109946838 LYUSQLDNOSXXAG-ZDUSSCGKSA-N 269.379 4.803 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)C[C@@H]2CC[C@@H]1C2 110196872 LYCLBEZUZAFSRQ-JFIYKMOQSA-N 263.469 4.905 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](C)[C@@H]1CN 110325856 VUHLGQXOEGZCNT-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 113047578 VJWXYEMGXKJZQB-IAQYHMDHSA-N 296.336 4.958 30 10 CJEE CCCCCCC[C@H](O)c1cccc(Cl)c1F 114994921 XGBPDAHUXHIPBY-ZDUSSCGKSA-N 258.764 4.873 30 10 CJEE CCCCCCCCCC1(CN)Cc2ccccc2C1 115840280 WDTAWVRGZOTAPP-UHFFFAOYSA-N 273.464 4.871 30 10 CJEE CCCCCCC[C@@H](NCC)C1Cc2ccccc2C1 115846445 XOGSPQDWKVOZFP-LJQANCHMSA-N 273.464 4.740 30 10 CJEE Cc1ncccc1/C=C/C(=O)c1cccc(Cl)c1Cl 116609386 SVEIHJOPZRMRGR-BQYQJAHWSA-N 292.165 4.593 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@H](CN)CCC 118640300 IAMCIDUCRCMHOA-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@@H]1CCCCO1)NN 122635624 PAASMYIAIKADNJ-ROUUACIJSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCCNCC1CCC(C(=O)O)CC1 124429094 FTIAGVYCVPULDX-UHFFFAOYSA-N 297.483 4.608 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2cc(Cl)ccc2o1 124989621 QKGGYJAUASHOBM-CQSZACIVSA-N 294.826 4.951 30 10 CJEE CCCCCCCCCCN[C@@H]1CCOC(C)(C)C1 125312255 WUWAYUHTLOTDIZ-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(Cl)c1 125358770 LDLRVBYJAFXAHD-INIZCTEOSA-N 282.859 4.985 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2cc3ccccc3s2)C1 127296700 VYNVTJYPKGNTSK-FSPWUOQZSA-N 299.439 4.829 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cc(C#N)ccc2Cl)c(C)n1 127722802 DGXAHVGDRUUSFE-ZDUSSCGKSA-N 299.805 4.705 30 10 CJEE Cc1cccc(NC2(C#N)CCC3(CCCC3)CC2)c1 129609830 RQIRIBZGCSDVPQ-UHFFFAOYSA-N 268.404 4.804 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)cc1C 131913545 SKWKBYJXJHMTAR-LLVKDONJSA-N 268.198 4.524 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ncc(C)cn1 135465558 MLGZEFYOAADXFD-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCOC1)NCCC 136011646 MOQZQCUYNDLMBU-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnc(C)cn1 139441824 BAXOTKRAEYJXGI-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)C 156197920 LUBXCTPOXOOLRS-BRWVUGGUSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@H](N)C1C2CC3CC(C2)CC1C3 158096426 CDTVBRNSSDFFND-NFSPANSCSA-N 263.469 4.747 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)cc2F)C1 164666090 VDQODFKAIMAMCF-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCC[C@H](O)c1cc2c(s1)CCSC2 168220212 QHGDTMCXSIQVSE-ZDUSSCGKSA-N 284.490 4.931 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1nnc(C(C)C)o1 190912772 WQKLNMDBWHTRCP-UHFFFAOYSA-N 299.418 4.657 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@@H]1Nc1ccccc1C#N 214793221 BOQUWECVZVJFLB-KRWDZBQOSA-N 296.801 4.947 30 10 CJEE CC(=O)/C=C\c1ccc(-c2cccc(Cl)c2)s1 217397466 UMUASPYUKXAFTO-WAYWQWQTSA-N 262.761 4.671 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)c1ccccc1Cl 221027644 VZAQGXBTMCMPRD-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cncc(C)c1 229010593 REDBLYSJJBJFND-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H](C)Nc1nnc(CC(C)C)s1 230289813 RRXRNNMKUDMLSX-ZDUSSCGKSA-N 283.485 4.898 30 10 CJEE CC(=O)/C(C)=C/c1ccc(-c2ccccc2F)s1 231746006 HLGYDRVMMFHZSA-MDZDMXLPSA-N 260.333 4.547 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCC[C@@H]1CC 232965197 FGTPHBDNYKFSEB-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCC[C@@H](CC)CNc1cccc(SC)c1C#N 233059663 VIRZPYRGTUTWAI-CYBMUJFWSA-N 276.449 4.908 30 10 CJEE C=CCCCCC[C@@H](CCc1cccc(C)c1)NC 234423188 UQYIXZOSHCGWCL-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 252903431 ONLPQUBQIBYISO-FPSMNIFISA-N 283.500 4.775 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1/C=C/CCCCC1 306015933 PKUZNHUMRIEAMT-YVARQFDVSA-N 260.768 4.512 30 10 CJEE N#Cc1ccc(N[C@@H]2CCc3sc(Cl)cc32)cc1F 307922079 GKYSSLLYSYCKBI-GFCCVEGCSA-N 292.766 4.512 30 10 CJEE C=C(CNc1cc(C)c(F)cc1Cl)c1ccccc1 311333910 FBEZLQMYWJDMHX-UHFFFAOYSA-N 275.754 4.913 30 10 CJEE C=CCCCCCCn1c(S)nc2ccc(F)c(F)c21 312567161 IUDMEIXHFHWNNR-UHFFFAOYSA-N 296.386 4.740 30 10 CJEE C=CCOc1ccc(CN[C@@H](c2ccccc2)C(C)C)cc1 315772410 UAIDASIBLUDZEC-HXUWFJFHSA-N 295.426 4.738 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC2CCC(C)(C)CC2)C1 316784486 NCDXNYJJCMTRDM-PBHICJAKSA-N 250.426 4.988 30 10 CJEE CC(CCc1ccc(OC[C@@H](C)CC(C)C)cc1)=NO 379668140 AOOVXQGKSCSOEH-AWEZNQCLSA-N 277.408 4.530 30 10 CJEE C[C@H]1C[C@@H]([C@]2(C#N)CCc3ccccc3C2)CC[C@H]1C 380300341 SKATTYIVWJSVTD-LVFSCSRESA-N 267.416 4.758 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(Br)o2)CC1 383091951 LNMJTZBXBSGXTI-UHFFFAOYSA-N 296.208 4.695 30 10 CJEE CCCCCCCOC[C@@H]1CCNc2ccccc21 388680513 DXRMVEKTERISIH-HNNXBMFYSA-N 261.409 4.573 30 10 CJEE C[C@@H]1CCC[C@@H](CCNC[C@H](C#N)C2CCCCC2)C1 397293827 JFQOYIXWMVOXJM-RYRKJORJSA-N 276.468 4.512 30 10 CJEE Cc1scc(C(=O)[C@@H](C#N)c2ccccc2Cl)c1C 399760371 DPUFAYIWUOBDFN-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE N#Cc1ncccc1Nc1cc(Cl)c(Cl)c(Cl)c1 404281549 VLVXHIKBTDNWDI-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=C(C)CCSCc1cc(-c2ccccc2)on1 507082088 AUJONYIPVUNLJL-UHFFFAOYSA-N 259.374 4.541 30 10 CJEE CC(C)C1(CNc2ccc(C(C)(C)C#N)cc2)CCC1 687273910 QJIYTAZABUAXBY-UHFFFAOYSA-N 270.420 4.726 30 10 CJEE CCN(CCCCCCCCCS)CCC(F)(F)F 688585618 FMZBHJJMEZHQLG-UHFFFAOYSA-N 299.446 4.921 30 10 CJEE N#Cc1ccc(Nc2cccc(SC(F)F)c2)cc1F 690179302 JAAMETGWIBBZHI-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCCCCCCCOc1cc(C(C)C)nc(Cl)n1 692637704 GWGMRGHJLINAAL-UHFFFAOYSA-N 284.831 4.993 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(COC)cc1 693432777 BUNMHOPPEJSYJY-SFHVURJKSA-N 277.452 4.844 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc3cscc3s2)C1 693992306 GVLVQLHWBSWTOO-WKPIXPDZSA-N 291.441 4.716 30 10 CJEE CCCCCCCCCC[C@H](O)C1CCC(CN)CC1 696170967 WLUQUTRAQFEJNX-ABHNRTSZSA-N 283.500 4.643 30 10 CJEE C[C@@H]1CCC[C@H](N(C)c2cccc(Cl)c2C#N)CC1 697551586 RDDBYQGGQFNTJZ-OLZOCXBDSA-N 276.811 4.617 30 10 CJEE CC1(C)CC(CN[C@H]2CCCC[C@@H]2C#N)CC(C)(C)C1 699428510 ISBDPCFIOCSYFT-CVEARBPZSA-N 276.468 4.511 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCCOC2CCCCC2)C1 699945801 FNSCGUIHKPLYMN-RDJZCZTQSA-N 263.425 4.836 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)Cc1ccc(C)c(C#N)c1 700720556 YAFCUSFHKAOYNS-KRWDZBQOSA-N 292.426 4.667 30 10 CJEE C=CC[C@H](C=C)OCCC(CC)(CC)CNCC(C)C 706718257 HDJJWDMTESNDLZ-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CCCC1CC(C#N)(c2ccc(C(F)(F)F)cc2)C1 708029425 VZGVUCUGYNHSMI-UHFFFAOYSA-N 267.294 4.677 30 10 CJEE CCc1cc(Nc2cccc(SC)c2C#N)ccc1F 709662711 KWCYFCUBPRTCLZ-UHFFFAOYSA-N 286.375 4.725 30 10 CJEE C=C(CC)C[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712560928 QJBDTQJYCXITLT-GFCCVEGCSA-N 277.717 4.715 30 10 CJEE C=CC[C@H](C)C1(C(=O)O)CC(C)(C)CC(C)(C)C1 715047286 SCSHRUBVOKTGGD-LBPRGKRZSA-N 252.398 4.506 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)c(F)c(C)c1 715716570 AMBYGEFCWSFECY-SJKOYZFVSA-N 263.400 4.695 30 10 CJEE CCCCCCC[C@@H](Cc1scnc1Cl)NCC 722021327 SFDLGLWDBLDFPL-LBPRGKRZSA-N 288.888 4.678 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Cl)ccc2F)CC1 724541870 DQZBUBKHAPIVNH-OAHLLOKOSA-N 268.759 4.649 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CCCCS2)CC1 724545112 OLQAGVYQPFJLJC-DLBZAZTESA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccoc2Cl)CC1 724550375 WBCYYQMYZNIUJC-CQSZACIVSA-N 267.800 4.720 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(Br)c2)CC1 724608030 CTGFYCSFTMHJQS-HNNXBMFYSA-N 295.220 4.619 30 10 CJEE C=C1CCC(CC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 724608400 KKGXGFUKUWAADE-CYBMUJFWSA-N 292.806 4.813 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](c1ccccc1)C1CC1 821996750 LLIKGHHIADVYJM-MNEFBYGVSA-N 269.432 4.862 30 10 CJEE C=CCC1(C(=O)NCC(CC)(CC)c2ccccc2)CCC1 1126651891 DGNJKSPTRLBOCF-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCN(C(=O)[C@@](C)(CC)CCCCCC)C1CC1 1127602866 UICNFBRTCGNDKA-KRWDZBQOSA-N 265.441 4.550 30 10 CJEE C=CCCC[C@@H](NC(=O)CC(C)(C)C=C)c1ccccc1 1132948753 JVMNVYQIYDTRSE-QGZVFWFLSA-N 285.431 4.803 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2ccc(F)cc2C)CCCC1 1134064078 LUUITPBJDQIULD-CQSZACIVSA-N 290.378 4.875 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2csc3cc(C)ccc23)C1 1165742996 DMGKHWSTNQVEQL-AWEZNQCLSA-N 299.439 4.638 30 10 CJEE CCCCCCSc1cccc(Cl)c1C#N 1165910093 SLTHYLUCZSRYTJ-UHFFFAOYSA-N 253.798 4.884 30 10 CJEE C=CCCCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 1167116985 ZIALBQGBVOUBOV-ULQDDVLXSA-N 261.453 4.633 30 10 CJEE C#CC[C@H]1CCCN(Cc2cc(Cl)cc3ccccc23)C1 1195463447 LQHLXYNFVAHYAA-HNNXBMFYSA-N 297.829 4.729 30 10 CJEE C=CCC1(CN[C@H](C)[C@H]2CC3CCC2CC3)CCCC1 1205788750 GCGOIJCXNJDQGF-AQEOSJORSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCN(CCC)C1CCOCC1 1209445789 NRHQHNDDSWMZEQ-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCC[C@@H](C)N(C)[C@H](C)c1ccc(Cl)cc1 1258732887 RUGKPKWXOIKESK-CHWSQXEVSA-N 251.801 4.688 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1CCCCC1(F)F 1307427069 VLCOFVWEAVEEFB-OAHLLOKOSA-N 297.364 4.639 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(C)cc(C)c1 1307742986 WUCZTFXEHURGBZ-UHFFFAOYSA-N 279.427 4.882 30 10 CJEE C=CCCCC[C@@H](C)NCCC1CC(OC(C)(C)C)C1 1308688021 RDKSGWOUHZAAAD-KLAILNCOSA-N 281.484 4.695 30 10 CJEE CCCCN(C[C@H](C)CCC#N)[C@@H]1CCC[C@H](C)C1 1308789671 HCSVMCXDEUZPCS-GVDBMIGSSA-N 264.457 4.607 30 10 CJEE C=CC1(CC(=O)N(Cc2ccccc2)C(C)C)CCCCC1 1353233081 AODYTJLSLMWHLO-UHFFFAOYSA-N 299.458 4.950 30 10 CJEE C=CC[C@@H]1CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 1473627892 TZWJELOTCGXXHF-CXAGYDPISA-N 275.823 4.615 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc2c(OC)nccc2c1 1474533759 BWJATWBKTBCLSW-AWEZNQCLSA-N 284.403 4.790 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(C)cc1Cl 1520156516 KWNQCNOTXNZHCY-AWEZNQCLSA-N 286.202 4.843 30 10 CJEE C=CCC(F)(F)C(=O)Nc1ccc(SC(C)(C)C)cc1 1527532310 GTKLOVYGCCKFFX-UHFFFAOYSA-N 299.386 4.727 30 10 CJEE C#CCCCCCC(=O)N(CC(C)C)c1ccc(C)cc1C 1527675656 BYQRIWQVOIWGDQ-UHFFFAOYSA-N 299.458 4.876 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1CC 1528291275 RRRSPVRXBQMBNV-OTWHNJEPSA-N 299.458 4.506 30 10 CJEE C=CCCCC(=O)N[C@H](CC(C)C)c1ccccc1C 1531109346 KAGYVHNLMSIIMF-QGZVFWFLSA-N 273.420 4.555 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)c1ccccc1)c1ccccc1 1532001839 NDBAYRRRHCUVKX-QAPCUYQASA-N 280.367 4.651 30 10 CJEE C=CCCCN(CC)C(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1537364456 QDEMINDYDSZPKU-ZUUKECRQSA-N 291.479 4.820 30 10 CJEE C=CCC1(NCc2cccc(OCCC)c2)CCCCC1 1560070506 ATKNXNGTIDVJNW-UHFFFAOYSA-N 287.447 4.844 30 10 CJEE C=CCCCC[C@@H](C)NCC[C@@H]1CCC(F)(F)C1 1561041096 IZOLZNBZBDZSEU-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)c2cccc(C)c2)c1 1618528397 KRRQNJPCZGZEEW-HNNXBMFYSA-N 279.383 4.770 30 10 CJEE C=C(C)COc1cccc(NC/C=C/c2ccc(F)cc2)c1 1620844910 RFVCQPFALVNTJF-SNAWJCMRSA-N 297.373 4.906 30 10 CJEE C=CCCCCCN1CCc2c(Cl)cc(F)cc2C1 1643261108 UZRPZRDVOFLNAS-UHFFFAOYSA-N 281.802 4.584 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)CC1 1650975138 CTUCZPMMAGOTIJ-DLBZAZTESA-N 295.430 4.837 30 10 CJEE C=CCCCCCN1CCO[C@@H](c2ccc(Cl)s2)C1 1652583210 RONIDJCHWRQFKQ-CYBMUJFWSA-N 299.867 4.521 30 10 CJEE C#Cc1ccc(N[C@@H](CC)CCC(F)(F)F)c(Cl)c1 1653189190 XJUJDFZIZQTDCX-NSHDSACASA-N 289.728 4.854 30 10 CJEE C=CCC1(NCc2ccc(C)cc2C)CCCCC1 1654518196 IUYGONYSJWJWCH-UHFFFAOYSA-N 257.421 4.672 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 1658399645 XKRYLOAIZFYHHK-RYQLBKOJSA-N 275.411 4.738 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(OC)c(C)c1 1658520198 FPNVRDKYYGYZLG-UHFFFAOYSA-N 295.426 4.582 30 10 CJEE CCCCCCCCCNCc1ccc(Cl)cn1 1660805073 HNOYMTSEMPMRMG-UHFFFAOYSA-N 268.832 4.575 30 10 CJEE C#Cc1ccc(N[C@H]2CC(C)(C)CC[C@H]2C)c(Cl)c1 1660811051 MZHWMAOXJUBYRN-WBMJQRKESA-N 275.823 4.948 30 10 CJEE C=CCN(CCc1ccco1)Cc1c(C)oc2ccccc12 1664017262 KJULGHXADLIVEE-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1664978945 NDEKREDLEDYPGC-YSVLISHTSA-N 277.839 4.920 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@H]1CCCC[C@@H]1C 1681704712 QOQXBYBDWLBICG-IRXDYDNUSA-N 294.483 4.781 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CC2CCC1CC2 1883423374 GWVBKBFINXJCLK-KVZIAJEVSA-N 269.432 4.501 30 10 CJEE CC#CCCCC[C@]1(CNCC)CCCCC1(C)C 1885236657 LGLMSQSQHIEYOC-GOSISDBHSA-N 263.469 4.766 30 10 CJEE CC#CCCCC[C@@H](O)C1CCC(CCCC)CC1 1885244847 OCVYFUIBVKZEJV-DAWZGUTISA-N 264.453 4.928 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1C[C@H]2CCC[C@@H]2C1 1886164038 MUVAOOCBECWEHB-WOJBJXKFSA-N 283.459 4.891 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CCCC(F)(F)C1 1886638686 DUGIQBJIEKGUTG-QGZVFWFLSA-N 293.401 4.890 30 10 CJEE C=C(C(=O)[C@@H]1CCC[C@@H](CC)CC1)c1ccccc1 1888689715 SDHMYZAJADIFKQ-NVXWUHKLSA-N 256.389 4.875 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)C(C)(C)C(C)C 1888719981 XYHFSBGERMVHDA-KRWDZBQOSA-N 259.437 4.750 30 10 CJEE CCC(=NO)c1cccc(OCc2ccc(Cl)s2)c1 1890071776 PVDQXXKKVWCZKY-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE CCCCCCCCCc1ncc([C@H]2CCNC2)s1 1900930786 ZVHFHQRRYRKECS-AWEZNQCLSA-N 280.481 4.513 30 10 CJEE CC(C)(C)[C@](C)(CS)CSCCCC1CC1 1904859607 PXQUQJGYAXMDKS-CQSZACIVSA-N 260.512 4.892 30 10 CJEE CCC(CC)[C@@H]1CNC(=NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)S1 1912023221 CPQSHXZVWCUGGT-NHIYQJMISA-N 296.524 4.556 30 10 CJEE CCCCCC[C@@](C)(O)C(=O)C1=CCCCCCC1 1919407738 LCSNJQXPIDAGSM-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE C=C(C(C)(C)C)[C@@](O)(CC)c1ccc(Cl)cc1 1919919660 JCKQEMGVVOWRLI-HNNXBMFYSA-N 252.785 4.540 30 10 CJEE C=CCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 1920019997 FBMKELKERGFLQR-CYBMUJFWSA-N 259.176 4.557 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1sccc1C 1921122200 BJOQCPFIBOZQNM-DLBZAZTESA-N 297.508 4.819 30 10 CJEE C=C([C@@H](NCCC)c1csc(Cl)c1)[Si](C)(C)C 1922874461 MZURHCKSYRADGX-CYBMUJFWSA-N 287.932 4.876 30 10 CJEE C=C([C@]1(O)CCCC[C@@H]1c1ccccc1)[Si](C)(C)C 1923040834 WYMDGZCCQUDXOS-IAGOWNOFSA-N 274.480 4.509 30 10 CJEE C=C([C@H](NC)c1cc2sccc2s1)C(C)(C)C 1947433743 CANDJTRNEBUXCF-ZDUSSCGKSA-N 265.447 4.826 30 10 CJEE C=C(C)CCc1cc(Br)ccc1Cl 1953819888 LPOMQLALIZQIEW-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE CC1(C)C2CCC1(CNc1cc(Cl)ccc1C#N)CC2 1970837541 QFUNVUBQLPYKIO-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc(Cl)ccc1Cl 1975900578 DVUUSKKCQUPZQO-ZANVPECISA-N 259.176 4.629 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Cl)sc1C 1978559621 FBRASOLLBZLRFG-GFCCVEGCSA-N 257.830 4.717 30 10 CJEE CCCC#CCNc1cc(Cl)c(C)cc1Cl 1994167585 WMWQHVIUSNBOIC-UHFFFAOYSA-N 256.176 4.517 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)sc1C 2000365079 MWWJZUYCDHGTMI-QMTHXVAHSA-N 271.857 4.963 30 10 CJEE CCCC[C@@H](CC)COC[C@@H](CS)CC1CC1 2003370176 HJRXYTJWFBGUGV-HIFRSBDPSA-N 258.471 4.566 30 10 CJEE N#C[C@H](c1cccc(Br)c1)[C@H]1CCCC[C@@H]1F 2006749678 FLAVPCUQJZOCDZ-MCIONIFRSA-N 296.183 4.585 30 10 CJEE CC#CCCC[C@@H](NCC)c1cc(Cl)sc1Cl 2018315474 WHXZVBZQVURIOC-LLVKDONJSA-N 290.259 4.899 30 10 CJEE CC#CCCCCOc1cc(C)c(Br)c(C)c1 2019541017 OLWFIZONVGMCTC-UHFFFAOYSA-N 295.220 4.638 30 10 CJEE CCCCCCCCCCN[C@@H](C(F)F)C1CC1 2029872575 FDEXHVZWJPFVBT-CQSZACIVSA-N 261.400 4.760 30 10 CJEE Cc1ccc(Cl)c(NCC#CC2CCCCC2)c1 2032520676 QEOHFPPNVHAYNA-UHFFFAOYSA-N 261.796 4.644 30 10 CJEE CCCCCCCCCCSCC1(C(=O)O)CC1 2033765207 TZXLSVIWEFCYLJ-UHFFFAOYSA-N 272.454 4.725 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1csc(Cl)c1 2036887358 YOZSFLFOQLLKFB-GXTWGEPZSA-N 289.872 4.513 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCC[C@H](C)CC1 2039370412 PTENYYOLWWCUGD-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@]1(CNC(C)C)CCCC(C)(C)CC1 2039373187 BIFSYGQUINLMGW-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCc2ccns2)CC1 2039384962 KPZUOGZSHPAYQZ-OAHLLOKOSA-N 262.422 4.576 30 10 CJEE C=C[C@@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C1CC1 2040408953 IPMACMBJPYZOIH-RMLUDKJBSA-N 288.193 4.748 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(F)cc(Cl)c1 2040519397 PUQOBOQVGJJXKE-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Cl)ccc1F 2040525979 MOJCQYHWTSTMJL-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(SC)cc1 2040526961 SLTVBFIOWFVCCG-BBRMVZONSA-N 263.450 4.661 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1(C)CCCCC1 2040527274 VKSRNBBGNMWQFY-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@]1(CNCC)CCC[C@@H](CC)C1 2040529288 JHCKBZKQYFSTOE-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=CCC[C@@H](C)[C@H](CCCCCCCCC)NN 2040534118 PKONGMPMPNJGEP-CVEARBPZSA-N 254.462 4.561 30 10 CJEE CCCC[C@@](C#N)(CC)C1(O)CCCCCCC1 2045995345 ONBSTLNJEWCOQI-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE C=C1C[C@H]1CC[C@H](NCCC)c1ccccc1Cl 2050516624 ZVAOBPLWHCUEAS-CJNGLKHVSA-N 263.812 4.737 30 10 CJEE CCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1O 2052820580 LLZUYQPGMUKHHU-VKJFTORMSA-N 274.385 4.501 30 10 CJEE CC[C@@H](CC(F)F)C[C@@]1(C=O)CCCCC1(C)C 2053400284 JWHRVNHRKAZQDF-SWLSCSKDSA-N 260.368 4.843 30 10 CJEE CCC1=CC[C@@H](C[C@@]2(C)CCCCC2(F)F)C1=O 2058697193 CJPYZQVGFYZUTA-GXTWGEPZSA-N 256.336 4.518 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2058794552 LVONFLDJWNMGLN-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE C=CCCCC[C@@H]1C[C@@H](CCC)CC[C@H]1NCC 2059111292 JCQQCFWOKHBQNN-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@]1(CNCC)CCC[C@H](CC)C1 2059113485 AABUGXRGCLJMPP-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C1CC(CC2(O)CCC(C(C)(C)CC)CC2)C1 2061687655 HERJTCUEZFHWLC-UHFFFAOYSA-N 250.426 4.700 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(C(C)(F)F)cc1 2065184304 RJPFPABHGGOCKU-CYBMUJFWSA-N 273.754 4.592 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C#N)CCCC(F)(F)C1 2065214130 PPRXMUBABFZRDA-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE CC[C@@](C#N)(CCC(C)C)Nc1ccc(Cl)cc1 2065987177 HSFCMZXRRDZBAY-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE CCCC[C@](C#N)(CC)[C@](O)(CC)CCC(C)C 2066038641 REERZETZOYUKHX-HOTGVXAUSA-N 253.430 4.674 30 10 CJEE CCCCCCCCCc1nc(C)c(C)c(F)n1 2067707720 BPNQEENFMZISSE-UHFFFAOYSA-N 252.377 4.526 30 10 CJEE C=CC1(CN[C@H](CC)c2cccs2)CCCCC1 2069158530 WBINYYATLCJRAE-CQSZACIVSA-N 263.450 4.925 30 10 CJEE C=CCCCCC[C@@H](NC)C1(C(C)(F)F)CCC1 2069950299 WSHOBCSLGYNXOO-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CC#CCCC[C@H](NCC)c1cccc(Cl)c1Cl 2073669749 JVCRNIQFKPPFEF-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE C=C(C(=O)c1cc(C)ccc1Cl)c1ccccc1 2076568003 ZCADGMPXAXPUGQ-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE 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N#Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)ccc1Cl 2095356147 SQUAWOBMIJOSMR-SGIREYDYSA-N 274.795 4.592 30 10 CJEE C#CC1CCC(N[C@H](C)c2cc(Cl)ccc2Cl)CC1 2097031999 RTBPWDJAXRJSSK-LKSINWNRSA-N 296.241 4.836 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@H]2CCCC[C@]2(C)C1 2097929892 HJVJJUGHPPSAEL-JFIYKMOQSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCC[C@H](CNCC)OC 2098525727 QUXURDXRJWTHGN-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CC(C)(C)OCCCCC[C@@]1(C#N)C[C@H]2CC[C@H]1C2 2099301069 LWUPCQNSAVYVIJ-ZOBUZTSGSA-N 263.425 4.692 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CC[C@]2(C1)CC2(F)F 2099945491 LYDQLHYOIQAZIH-ILXRZTDVSA-N 273.411 4.890 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC12CCCCC2)C(C)(C)C 2100469066 GJUUISZURUTCIT-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CCCCCO2)CC1 2100881072 SUPUNPYNROZDDJ-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE C=C1C[C@@H]1C[C@]1(CNCC(C)C)CCCC12CCC2 2102472770 JEKWHQGSLFVIDX-AEFFLSMTSA-N 261.453 4.539 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCC1CCC1 2104627479 FZHKOEJBGSLQNH-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCCCNC1CCC(CC)(OC)CC1 2105152146 OVXZEFKTDMMBNS-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccc(N)cc1 2107811650 MPGZFNQCNVUWRC-QGZVFWFLSA-N 262.441 4.799 30 10 CJEE C#C[C@@H](C)[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2107920151 QXVPKBNCGZIVEY-BDJLRTHQSA-N 289.831 4.598 30 10 CJEE CCCC[C@@](C)(C#N)C[C@@H]1CCOc2ccccc21 2108207305 DOBYYWJWJLPPDW-WMLDXEAASA-N 257.377 4.663 30 10 CJEE CCCC[C@](C#N)(CC)[C@@]1(O)CC(C)(C)CC[C@H]1C 2108208308 VHJAPDJMDZTCLM-HYVNUMGLSA-N 265.441 4.674 30 10 CJEE CCC[C@@](C)(CC#CC1CCCCC1)CNC1CC1 2108212258 ZLYWGFDJTNQWSY-SFHVURJKSA-N 261.453 4.519 30 10 CJEE N#CC1(C[C@@H]2CC23CCCCC3)C[C@@H]2CC[C@H](C1)S2 2109409833 FOUIPWOMRBTQCD-JZWPEALZSA-N 275.461 4.915 30 10 CJEE C=CC1(C[C@H](NCCC)C2(C(C)C)CCC2)CCC1 2111721920 WLOOETUQRSXQLX-INIZCTEOSA-N 263.469 4.927 30 10 CJEE CCCC[C@](C#N)(CC)C[C@H](O)c1ccccc1C 2113346638 MLNRMURPGNWFMQ-DLBZAZTESA-N 259.393 4.529 30 10 CJEE N#CC1(Cc2csc(C3CCCCC3)n2)CC=CC1 2113528727 AXYPLAPIRRUTEY-UHFFFAOYSA-N 272.417 4.593 30 10 CJEE CCCCCCCC(=O)c1cncc(C(C)(F)F)c1 2114674236 UECAKKIQKOMVCQ-UHFFFAOYSA-N 269.335 4.737 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](CC)COC(F)(F)F 2116738384 CNXAYSYOPZBGOW-OLZOCXBDSA-N 283.378 4.640 30 10 CJEE CC1(C)CCCC[C@]1(C=O)[C@@H]1C[C@H]1c1ccccc1 2117025214 LUQONIBAJQYGQY-JZXOWHBKSA-N 256.389 4.576 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCCCC1(C)C)c1ccccc1 2117035859 HMFGJXNRSGOCEV-MAUKXSAKSA-N 258.405 4.966 30 10 CJEE C=CCCCCOc1cccc(CNC(C)C)c1Cl 2123081495 XHJQQKFGTMSXPN-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C=C1CC(C[C@@H]2C[C@H](C)CC[C@@H]2CNC(C)(C)C)C1 2125688521 NZGZKIZQYZOHLD-XYPHTWIQSA-N 263.469 4.783 30 10 CJEE CO[C@H]1CCC[C@](C#N)(CC2CCC(C)(C)CC2)C1 2126424024 MUQOMEPMUCYUNZ-RDJZCZTQSA-N 263.425 4.692 30 10 CJEE CO[C@H]1CC[C@H]1CCC1(C#N)CCC(C(C)C)CC1 2130466330 MBSCJLKAZIJJPY-YZUHTNEWSA-N 263.425 4.548 30 10 CJEE C=C([C@H](NCCC)C1(CC2CCC2)CC1)C(C)(C)C 2133419297 MTDJAGIKFPJGLN-INIZCTEOSA-N 263.469 4.927 30 10 CJEE CCCC#CCSc1ccc([C@@H](C)NCCC)cc1 2138953612 AMZCCDUIIDIRGM-OAHLLOKOSA-N 275.461 4.643 30 10 CJEE CCCC#CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 2138991163 RJIWGHSNCLBKDV-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE C=CCCCCCC[C@]1(N)CCC[C@H](P(C)(C)=O)C1 2141906274 TVXVVPZCOJUXNN-HOTGVXAUSA-N 285.412 4.776 30 10 CJEE C=CCCCCCCC[C@@H](COCCCC)NCC 2141906518 VUDIPPDHRQCTRB-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC(=O)CC[C@@H](CCC)CCN 2141923719 WHTIGDXOIXYKLI-MRXNPFEDSA-N 267.457 4.627 30 10 CJEE C=CCCCCCCCCCN(C)CC1=CCSC1 2142397795 PGITVGJRTLKFKR-UHFFFAOYSA-N 281.509 4.898 30 10 CJEE C=CCCCCCCCC[C@@H](Cc1cscn1)NC 2142438969 IGVKDVDRNOUMLZ-HNNXBMFYSA-N 280.481 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)CCCNCC 2142442250 UEHGKSWETUPTKY-UHFFFAOYSA-N 267.457 4.642 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C(C)(C)SC 2142447113 GRENSFGGSIZLSE-OAHLLOKOSA-N 286.529 4.657 30 10 CJEE Cc1ccc(CSc2ccc(C#N)c(C(F)(F)F)c2)o1 2145642468 QBHCXCSRSIUDLK-UHFFFAOYSA-N 297.301 4.771 30 10 CJEE CCC[C@]1(C)CSC(=Nc2cccc3ccccc23)N1 2146581845 HXRUPFMIBUTGPJ-QGZVFWFLSA-N 284.428 4.723 30 10 CJEE C=CCCCCC[C@H](N)[C@@H](O)CCCCCCCCC 2147737768 BTHUJRVZCNHAMB-ROUUACIJSA-N 283.500 4.952 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](O)c1csc(C)c1 2148577552 GAKNRBAWRCCVKS-IAGOWNOFSA-N 297.508 4.948 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CCC[C@H](C(C)C)CC1 2148578903 NZECSKWLFXLEFU-BZSNNMDCSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@H](NC)[C@@]1(O)C[C@H](C)CC(C)(C)C1 2148579002 OQVZNCLYYMAASR-SOLBZPMBSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](O)c1ccc(C)s1 2148592242 RUMCXIUODZLPRU-WBVHZDCISA-N 297.508 4.819 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc2c(c1)CCCC2 2152746973 VHVVOBSBDHQXFJ-HNAYVOBHSA-N 271.448 4.818 30 10 CJEE CC[C@@]1(C)CCSC(=N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)N1 2153457955 JJTCTFLNMRXGEG-IVSAIRAKSA-N 294.508 4.597 30 10 CJEE CC1(C)CCC2(CC1)CC(C#N)(NC1CCCCC1)C2 2156633847 OTRFTRAXEIJUIY-UHFFFAOYSA-N 274.452 4.551 30 10 CJEE CCC1(CC)CNC(=NC[C@H]2CCC[C@H](C)CC2)SC1 2159517002 DDWZLUBNSWJEAJ-GJZGRUSLSA-N 296.524 4.702 30 10 CJEE CC(C)(C)C1CC(C[C@]2(C#N)CCc3ccccc32)C1 2161250342 YLQAOVJTFIHGTD-KJXMEXGPSA-N 267.416 4.857 30 10 CJEE C=CCOc1ccc(C(=O)CCC[C@H]2CC2(C)C)cc1 2163959534 CBNUPHKNAXNRLE-HNNXBMFYSA-N 272.388 4.651 30 10 CJEE C=CCOc1ccccc1C(=O)[C@@H]1CCC[C@H](CC)C1 2163966807 DYXCTRWVVMAJLF-LSDHHAIUSA-N 272.388 4.651 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(-c2ccc(F)cc2)o1 2164065049 MGCZRLGQXRMGHY-OAHLLOKOSA-N 273.351 4.703 30 10 CJEE C#CCCCCC[C@@H](CCCCCCCCCC)NN 2164488739 YDHOLOBESSSKQB-SFHVURJKSA-N 280.500 4.933 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1[C@H]2COCC[C@@H]21 2164494455 VNRZZGIGMMRSCN-KURKYZTESA-N 280.452 4.759 30 10 CJEE CCCCCCCCCCc1nnc(S)n1CC(C)C 2164510904 AYHQUYSAAAENIX-UHFFFAOYSA-N 297.512 4.906 30 10 CJEE CC(C)[C@]1(C)CSC(=NC2CC3(CCCCCC3)C2)N1 2164844706 ZXFGMTFVIXZBNC-INIZCTEOSA-N 294.508 4.597 30 10 CJEE CN(C1CC2(CCCCCC2)C1)[C@@H]1CCCC[C@H]1C#N 2164857275 LOEGNZMVPZCCKN-DOTOQJQBSA-N 274.452 4.504 30 10 CJEE N#C[C@]1(C[C@H]2[C@H]3CCCCC[C@H]32)CCc2ccccc21 2167344136 MMXFIPGBBZGIGR-SFNKJDCFSA-N 265.400 4.611 30 10 CJEE CCCCCCC[C@H](N)[C@@](C)(O)[C@H]1CCCC(C)(C)C1 2168564611 GNOMKASUMKQLQF-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H](O)c2cccs2)C1 2169742788 PLWUGHRYQQONPM-CYBMUJFWSA-N 291.460 4.918 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(C(C)(C)C)nc1 2170365569 AIWQPLJMBSLLIB-INIZCTEOSA-N 274.452 4.776 30 10 CJEE C=CC[C@H]1CCCCN1c1cc(Cl)ccc1[C@@H](C)NC 2178450976 TXZHWPVSJFMBEJ-HIFRSBDPSA-N 292.854 4.555 30 10 CJEE C=CCCCCC(=O)c1cc(C)c(OC(F)F)c(C)c1 2179678092 GYLWURBPYCDDIH-UHFFFAOYSA-N 282.330 4.834 30 10 CJEE CC(C)c1ccc(C[C@]2(C=O)CCCC(F)(F)C2)cc1 2184843776 GIYIKALFFREIQI-MRXNPFEDSA-N 280.358 4.747 30 10 CJEE C[C@H](N(C)[C@H](CC#N)c1ccccc1)C1(C)CCCC1 2187839933 FSXPXYUNVPAVNP-DOTOQJQBSA-N 270.420 4.542 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CC23CC(F)(F)C3)CC1 2189553400 OOJWIPUFDFKFJF-ZFWWWQNUSA-N 284.390 4.988 30 10 CJEE N#C[C@@]1(CCSC2CCCC2)CCOC12CCCCC2 2190632436 YXWMNWLFKCIVEG-INIZCTEOSA-N 293.476 4.685 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C(F)(F)F)on1 2192919113 PGNFFZOYEDWSEH-LBPRGKRZSA-N 293.329 4.868 30 10 CJEE CCCCCCCCCCN(C[C@@H]1CCOC1)C1CC1 2195686778 VLSMNNHKTFZYOA-KRWDZBQOSA-N 281.484 4.628 30 10 CJEE CC#CCCCC[C@H](NCCC)c1c(C)oc(C)c1C 2196169801 MLIQMANEFIWUBP-KRWDZBQOSA-N 275.436 4.829 30 10 CJEE CCCCCCCCN(C)CCCOc1ccccc1 2196714055 FTYPYZDNFPSVBT-UHFFFAOYSA-N 277.452 4.748 30 10 CJEE C#CC[C@@H](CNC1CCC(C(C)(C)CC)CC1)C1CC1 2196809733 IHDDHFYWTSQKGU-AOCRQIFASA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1)C1CC1 2196856496 HEPCTWNDWXIVSB-OWYHZJEWSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC(C)C)C1CCC1 2197396311 GICRCJSBLGRAPM-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCCNC[C@@]12CC[C@@H](C1)[C@@H](C)O2 2198676420 FXUPHZQQSAUTBM-FGTMMUONSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@]12CC[C@@H](C1)[C@H](C)O2 2199190317 IZAOWCYXJXZMOG-WNRNVDISSA-N 281.484 4.673 30 10 CJEE C=C1CC(CNCC)(C[C@@H]2C[C@@H]2C2CCCCCC2)C1 2200347020 LKJFOPZSFITRLV-ZWKOTPCHSA-N 275.480 4.929 30 10 CJEE C=C1CC([C@H](C[C@H]2C[C@@H]2C2CCCCC2)NCCC)C1 2200376157 FMDBVYYLBPTWAE-QRQLOZEOSA-N 275.480 4.927 30 10 CJEE SC[C@H](COC[C@@H]1C[C@@H]1C1CCCCCC1)CC1CC1 2200740514 XDVXGGSCNNUYPD-RYQLBKOJSA-N 296.520 4.956 30 10 CJEE CCCCC#CC[C@](C)(O)c1ccc(CC(C)C)cc1 2203777880 HVJRVMSZFDCGHK-IBGZPJMESA-N 272.432 4.676 30 10 CJEE CCCCC#CC[C@](C)(O)c1ccc2ccccc2c1 2203777933 IJZHBHNYHAYNEU-IBGZPJMESA-N 266.384 4.631 30 10 CJEE CCCCC#CCSc1cccc(CNC(C)(C)C)c1 2203786392 VTOUZJBETGAWDB-UHFFFAOYSA-N 289.488 4.860 30 10 CJEE CCCCC#CC[C@@]1(CNCC)CCCCC12CCC2 2203809195 DJXOLUOBGQEPMU-IBGZPJMESA-N 275.480 4.910 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@H]1C[C@H]1C1CCCC1 2203823301 OIKBQLUVFJSJCT-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@]1(CNC2CC2)CCCC[C@@H]1C 2203828461 QHRYWCUSGGZGGE-PKOBYXMFSA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1cccc(C)c1Cl 2203862146 LCRQJRQUNUJVMW-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE Cc1cc(F)c(Cl)cc1NC[C@@H](C#N)C1CCCCC1 2206409953 XQCGTIKQYZDXOV-CYBMUJFWSA-N 294.801 4.920 30 10 CJEE C=CCCCCCCOc1c(Cl)cc(C=O)cc1OC 2206896293 CNTZMDKXBWHRHF-UHFFFAOYSA-N 296.794 4.676 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1CCOC12CCCCC2 2206903882 VWMHSRWRBFAHKX-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCNc1ccc2c(c1)OCO2 2207398185 YXHKZEQJMYIKRU-UHFFFAOYSA-N 275.392 4.744 30 10 CJEE C=CCCCCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1O 2207404050 RBZMOOYVUYFZME-OKZBNKHCSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCN[C@H](CC)COC(F)F 2207429001 FAIREXOEBBJICY-OAHLLOKOSA-N 291.426 4.901 30 10 CJEE C=CCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2216076870 SBBXDHKNBDGIEW-AWEZNQCLSA-N 272.219 4.914 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CC[C@@H]2C(F)(F)F)C1 2217721463 XQUQOZNWCPDWLP-FVCCEPFGSA-N 259.315 4.685 30 10 CJEE CCCCCCCC[C@@H](C)[C@@H](C(=O)O)C(F)(F)F 2223777192 SEEMBIBJXQMUHN-MNOVXSKESA-N 268.319 4.636 30 10 CJEE C=C1CCC(C[C@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1 2225309364 UXKCGPNOZQTSEH-BQFCYCMXSA-N 261.453 4.667 30 10 CJEE CCC[C@@](C)(C=O)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225354388 FCRWNFKAYVUKMX-APIJFGDWSA-N 272.379 4.843 30 10 CJEE Cc1csc(CN(C)c2ccc(C#N)c(Cl)c2)c1C 2225836443 PRZMDGODGWBFOA-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1scc(C)c1C 2225918456 FFWXTXARMMVLPA-AWEZNQCLSA-N 282.449 4.659 30 10 CJEE C=C[C@H](NC[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCC1 2230651454 FGZBKBAFZJQYOM-FZCLSBEQSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCOc1sccc1CNCC 2231017106 PAZKVNBKAKSQIS-UHFFFAOYSA-N 283.481 4.987 30 10 CJEE C=CC[C@H](C)Oc1cccc(CN[C@H](C)CC)c1Cl 2231582692 RXEZBTTYOQCPJI-OLZOCXBDSA-N 281.827 4.572 30 10 CJEE C=CCCCCCCCNC[C@H](OC)C1CCCCC1 2235512915 HFBFJZIJLJQKQF-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](O)c1csc(C)c1 2235519798 UARFILRMHNFBDD-IAGOWNOFSA-N 295.492 4.595 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H](C)Oc1ccccc1 2235535552 PRPIHKZQJNDDKC-AEFFLSMTSA-N 276.420 4.732 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(OC)cc1F 2235537881 FREIEEDNIGGDIZ-KRWDZBQOSA-N 280.383 4.784 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)C1CCCCC1 2235541342 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C=C(C)CCCC[C@H](O)c1ccc(Cl)c(F)c1 2250158102 DYMQJYQKGCFAAN-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CC1CC(C)(CC2(C=O)CCC(C(C)C)CC2)C1 2253654882 NDLTZWJXHFPBRT-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=C([C@@H](NCC)c1csc(Cl)c1OC)C(C)(C)C 2256838314 USAJMBAFLCGISH-LLVKDONJSA-N 287.856 4.663 30 10 CJEE C=CCCSc1ccc(F)cc1[C@@H](C)NCCC 2258976854 VQLLYMYWYDQCRO-GFCCVEGCSA-N 267.413 4.555 30 10 CJEE C=CCCCCCCCSCc1ccnc(Cl)n1 2259052067 UDNDVUVMJKVQTJ-UHFFFAOYSA-N 284.856 4.890 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCC[C@H]1C 2259175581 GBINDRJMVPHNNQ-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc2c(s1)CCC2 2259197344 XHZUSIWJKZXMDG-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccsc1 2262549469 AAGYKUBLEMQNBW-HNNXBMFYSA-N 269.454 4.515 30 10 CJEE CCCCCCC[C@@H](CCCCC)OCCCN 2263044528 KNPAVVAPBQFEKD-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C[C@H](C(F)(F)F)C1(C#N)CC(C)(C)CC(C)(C)C1 2263847845 CROHQKQBELDYQT-JTQLQIEISA-N 261.331 4.931 30 10 CJEE CCCCCCCCCC[C@@H](Cc1cnsc1)NC 2264361166 VRNNIJGEAINEOO-INIZCTEOSA-N 282.497 4.804 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@@H]1CCC[C@H](C)C1 2265038065 KPFFRKBCMBZVCR-LEUOFYLZSA-N 261.453 4.776 30 10 CJEE CO[C@@H](C)c1ccc(CC=CC#CC(C)(C)C)cc1 2268763520 RUWUYPXCZHBSGT-HNNXBMFYSA-N 256.389 4.542 30 10 CJEE CCC[C@H](NCC=CC#CC(C)(C)C)c1cccs1 2268825593 SYEBJEUUYUZIFU-HNNXBMFYSA-N 275.461 4.785 30 10 CJEE C[C@H]1C[C@H]1CCCCCNc1ccc(Cl)c(C#N)c1 2269477600 HTEBADWTHUIYRU-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE C=CCCCSc1cc(C)ccc1CNC(C)(C)C 2271596562 KTHCMKKOQDFDJI-UHFFFAOYSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 2271791381 LUWKYRXJJQSKFZ-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ncoc1C(C)C 2271791955 QEACDOYNLZCFIQ-AWEZNQCLSA-N 264.413 4.585 30 10 CJEE C=CCCCCC[C@H](NCC)C1CC2(CC(C)C2)C1 2272129069 QWRZZISDJQFZTR-DFQJWARBSA-N 263.469 4.927 30 10 CJEE C=CC1(CNCC2CC3(CC(C)C3)C2)CCCCC1 2272211351 JWXTUUWHSKSFGB-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE CC[C@](CC#CC1CCCC1)(CNC(C)C)C(C)C 2274166497 LKEDAPJCURUBBW-SFHVURJKSA-N 263.469 4.621 30 10 CJEE C[C@](N)(CC#CC1CCCC1)c1cccc(Cl)c1Cl 2274171429 NNNNGKCCJYLGTE-INIZCTEOSA-N 296.241 4.751 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H](CC)C(C)C 2276152355 JRTNHRFLCVDYBK-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccncc1F 2278177696 WQHVSFJLGPEKSO-INIZCTEOSA-N 266.404 4.535 30 10 CJEE CC[C@@H](Nc1cc(C)c(C#N)c(C)c1)c1occc1C 2280562425 QROIGUHMOHHPDY-MRXNPFEDSA-N 268.360 4.640 30 10 CJEE N#C[C@]1(CC[C@H]2CCCC23CC3)CCc2ccccc21 2281331523 KYGPHHJBNLETOY-VQIMIIECSA-N 265.400 4.755 30 10 CJEE Cc1ccc(Cl)c([C@H](O)[C@@]2(C#N)CCCCC2(C)C)c1 2283236658 JZBYREOPHSZMGV-RDJZCZTQSA-N 291.822 4.792 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1(CC2CC2)CC1 2284103313 OYMQTGZGWJSEDX-QGZVFWFLSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCSc1ncc(C(=O)O)cc1F 2287089275 JASULQJHFXVCBL-UHFFFAOYSA-N 297.395 4.538 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccccc1OC(F)F 2287400660 MPSHLWNDABOKBC-INIZCTEOSA-N 283.362 4.598 30 10 CJEE CC(C)N[C@]1(C#N)CCCC[C@@H]1CCS[C@@H](C)C(C)C 2288861159 RZUBGWHEUAEMNX-BBWFWOEESA-N 296.524 4.605 30 10 CJEE N#CC1(CNc2cccc(C3CCCC3)c2)CCCC1 2289272094 QISDIBIARDQWIR-UHFFFAOYSA-N 268.404 4.840 30 10 CJEE CC(C)(C)c1ccc(C(=O)C#CC2CCCCC2)cc1 2289760573 SDXJDAUGQOFRKC-UHFFFAOYSA-N 268.400 4.751 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cccc(F)c1Cl 2289786512 NYWSMAWLFAUBHX-INIZCTEOSA-N 293.813 4.713 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@H]1C[C@@H]1C1CCCCCC1 2289869791 UARUIHLKXRUSFP-CEXWTWQISA-N 273.464 4.504 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCCCC1(C)C 2289884560 XNOIDMAJFKFCMO-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CC(C)(C)CCC1(C)C 2290214475 XRNGVFAWFFSVSN-SFHVURJKSA-N 280.452 4.659 30 10 CJEE CC1(C)CCC(C)(C)[C@](N)(CC#CC2CCCCC2)C1 2290246642 GKYUPTWLIXAOGX-IBGZPJMESA-N 275.480 4.894 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)[C@@H](CC)CCC 2291290252 OKLZEBJVLFFSCS-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCC[C@@H](CC)C1 2291443909 ZZBFDQMIBFBWRP-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1sc(C)cc1C 2293590875 XNBHEEZXPLSETD-QGZVFWFLSA-N 297.508 4.916 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)c1ccoc1 2293597277 WTTAMDCYEONRHX-QGZVFWFLSA-N 279.424 4.603 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC(C)(C)C[C@@H]1C 2293666649 IFJBSTVVJFXRFE-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)[C@@H](C)CC(C)C)CC1 2294110378 HLOYGLUEFPFQKN-FUHWJXTLSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1ccsc1C 2294277536 DQEGOIUAWCNAML-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCCOCC1 2295691903 QMSLMEWXYKGJTI-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CC[C@H]1CCC[C@@H]([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2297102561 MUZFIQAKRHMQHV-LJISPDSOSA-N 278.245 4.685 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C2CC2)s1 2304129806 VJNTWSBKUITFNR-HUUCEWRRSA-N 250.407 4.651 30 10 CJEE C=CCC(CC=C)C[C@H](NCCC)c1cccs1 2316683969 SKNXWCSRZVYSLH-HNNXBMFYSA-N 263.450 4.947 30 10 CJEE CN(c1ccc(Cl)cc1)c1ccc(C#N)cc1Cl 2317120618 DSGKUNXIWUNCBW-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE Cc1c(COCC2(C#N)CCC2)ccc(Cl)c1Cl 2317233221 VXARAOFSXALVCG-UHFFFAOYSA-N 284.186 4.512 30 10 CJEE C#Cc1ccccc1NCc1cccc(Cl)c1Cl 2317639065 JARBAGVTZLGALH-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(C)cc1SC 2319608631 ISAOGANBALGNFG-OAHLLOKOSA-N 264.434 4.887 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC[C@H]1CCCC1(F)F 2321139324 YPSNJAAFWHCQSQ-OCCSQVGLSA-N 258.352 4.764 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2323850838 PWOTZDPDIZVBHX-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE Cc1c(COc2ccc(C#N)cc2)ccc(Cl)c1Cl 2338659122 CEMQRHRXCQNCTH-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H](C(C)(C)C)C1 2338807749 KOWXADPHQOSRGO-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=CC1(C[C@H](CCC2=CCCCC2)NCC)CCC1 2340213576 FWVPMKQXIHTHHD-KRWDZBQOSA-N 261.453 4.992 30 10 CJEE CCCC#C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341110676 OMKYGOXPUAKZQF-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C=CCC[C@H](N)C[C@@H](c1ccccc1)C1CCCC1 2342555792 DSWSOFGRDASVGN-ROUUACIJSA-N 257.421 4.644 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H]1CCCCC12CC2)NC 2344349788 WCSLCYJFJMFGSX-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C[C@@H](CCC(F)(F)F)N(C)C[C@@](C)(CS)C(C)(C)C 2352067464 FNDZHYQAAILHOZ-AAEUAGOBSA-N 299.446 4.631 30 10 CJEE O=C[C@@]1(C[C@@H]2CC[C@H]2C(F)(F)F)CCCCC12CCC2 2358422978 WFGCHPZSQKLKNP-GUTXKFCHSA-N 288.353 4.895 30 10 CJEE CSc1cccc(OC(CC2CC2)CC2CC2)c1C#N 2360335633 CKVTWPFBYJOUDM-UHFFFAOYSA-N 287.428 4.628 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1c(F)ccc(C)c1Cl 2360711754 WFXIMUMZDKTOHD-AWEZNQCLSA-N 295.829 4.878 30 10 CJEE CCCCCC[C@@H](C)OCc1ccc(C#N)cc1F 20514318 KYQSTRIJRYOTFP-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2cccc(C#N)c2)c(C)c1 21049395 YNDWVFUWEJUKJL-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CCCc1ccc([C@H](C)Nc2cccc(C#N)c2)cc1 21517644 ZTWMQXGQDRRZRS-AWEZNQCLSA-N 264.372 4.684 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 37333909 KZHXDRVZMNTBHQ-GWCFXTLKSA-N 282.309 4.568 30 10 CJEE Cc1cc(Cl)ccc1OCC[C@](C)(C#N)c1ccccc1 57687730 JIBSFLSZHIQNNQ-GOSISDBHSA-N 299.801 4.899 30 10 CJEE Cc1ccc(Cl)c(OCC[C@@](C)(C#N)c2ccccc2)c1 57715554 FVUNYZNHHFBRAU-SFHVURJKSA-N 299.801 4.899 30 10 CJEE CCCCCCC[C@H](C)NCCCN(C)c1ccccc1 59089772 SGVSQXOQWAEKBU-SFHVURJKSA-N 290.495 4.852 30 10 CJEE CCCCCCCCCN(CCCN)c1cccc(F)c1 59203636 VEEKTFXOZBKRML-UHFFFAOYSA-N 294.458 4.732 30 10 CJEE CCCCCCCCNc1ccc([N+](=O)[O-])cc1C 59456600 IWXQTESKTZLAJJ-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE Cc1ccc2nc(C(F)(F)F)c(CCC#N)c(Cl)c2c1 75894074 QOMCENHNSDIZNX-UHFFFAOYSA-N 298.695 4.672 30 10 CJEE Cc1ccccc1CSC[C@@H](C#N)c1ccccc1 80800932 AQLRIPMGRQWKQZ-QGZVFWFLSA-N 267.397 4.536 30 10 CJEE CC(C)c1ccccc1Nc1ccc(CC#N)cc1 82715543 UYQUTQHTOVHZJO-UHFFFAOYSA-N 250.345 4.620 30 10 CJEE C/C(CCc1ccc(O[C@H]2CC[C@@H](C)[C@@H](C)C2)cc1)=N\O 85026871 MXHGXTLZFHHOGL-QYZSUXGNSA-N 289.419 4.673 30 10 CJEE CC(C)n1c(CC2CCCCC2)nc2cc(C#N)ccc21 86636407 DPMVYTIDOGRKTM-UHFFFAOYSA-N 281.403 4.612 30 10 CJEE Cc1ccsc1-c1nc2cc(C#N)ccc2n1CC(C)C 86637218 PVAATSRYVQSXQZ-UHFFFAOYSA-N 295.411 4.601 30 10 CJEE CCC[C@H](CS)COc1ccc(Cl)cc1Cl 87078613 VLZHNMKQWLNOTP-VIFPVBQESA-N 279.232 4.718 30 10 CJEE C[C@@H](CCS)CCOc1ccc(Cl)c(Cl)c1 87081768 IDYUXTCXULQSRF-SECBINFHSA-N 279.232 4.718 30 10 CJEE Cc1cc(C)cc([C@H](O)C2(C#N)CCC(C(C)C)CC2)c1 91883832 AXFXPNKCHTULOB-AVAKVYKDSA-N 285.431 4.693 30 10 CJEE CCCc1c(-c2ccc(C(C)C)cc2)sc(C#N)c1N 93074478 COIPREYBVMXFQD-UHFFFAOYSA-N 284.428 4.945 30 10 CJEE CCCCCCCCCn1c(CC)nc2c(N)cccc21 104324737 CIDOSDCNGQAZAC-UHFFFAOYSA-N 287.451 4.932 30 10 CJEE CCCCCCCCO[C@]1(CNCC)CCC[C@@H](C)C1 110070378 CLMWCWORCVQNNP-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@@H]1CCC 114057038 HWJFTDIKWBIMEN-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H]1OCCC[C@@H]1CNC(C)(C)C 118605689 IHLRXOFUKMYHCT-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(CC)s1 122199306 QUVVDIQPULBMRJ-OAHLLOKOSA-N 282.497 4.956 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2ccc(F)cc2s1 124699176 MJGXNSITDAQANB-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE CC#CCC[C@H](NCCC)c1ccccc1C(C)(C)C 124760451 HOODYYVSJDYJPI-SFHVURJKSA-N 271.448 4.828 30 10 CJEE CCCCCCCC[C@H](NN)C(C)(C)c1ccccc1 126132933 BYUYNENPWXXTNZ-KRWDZBQOSA-N 276.468 4.547 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(F)cc2C#N)c(C)c1 126222257 UJTNHFQWSZRKRZ-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE C#CC[C@@H](CC)N[C@@H](CCCCC)c1ccccc1 129815242 JDLMGXLHWOOKFX-MSOLQXFVSA-N 257.421 4.700 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](OCC)C(C)(C)C 131488995 UYVSXWQNQNZTPE-CABCVRRESA-N 257.462 4.516 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]([C@@H](C)N)C1 132389649 NBFXNNJDUYUQFJ-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE Cc1ccc(Cl)c(Nc2nccc(C)c2C#N)c1Cl 135056507 SIMKGELRHAZLTO-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCOC[C@@H](NCCC)C1CCCC1 157567874 DPSCGWHCKHSJPC-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCNc1cc([N+](=O)[O-])c(C)cc1C 159726677 IRICGMQEXWFBLP-UHFFFAOYSA-N 264.369 4.594 30 10 CJEE N#Cc1cc(OC2CCCCCC2)ccc1C(F)(F)F 164501456 KCTWYTALCNZWAU-UHFFFAOYSA-N 283.293 4.679 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cncc2ccccc12 165033178 XDLDJSRBOZCLRJ-QGZVFWFLSA-N 293.757 4.565 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cccs1 165883274 ZJSUTWQCCLHVKN-CQSZACIVSA-N 268.470 4.783 30 10 CJEE N#C[C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 167858231 MITAQLRHUWVAEK-CYBMUJFWSA-N 253.267 4.503 30 10 CJEE CCCn1c(C2CCC(C)CC2)nc2cc(C#N)ccc21 168450392 WHHMOSVNDVLCLJ-UHFFFAOYSA-N 281.403 4.612 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(Br)cs1 169243742 STVXVGPVVSXRSR-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCC(CC)N(CC(C)C)C[C@]1(C=O)CCC[C@@H](C)C1 223558480 REANCQJIBUFAMK-AEFFLSMTSA-N 281.484 4.528 30 10 CJEE CCCCCCCCCC(=O)C(F)(F)C(F)F 232927183 HCRISHJKHGGMEO-UHFFFAOYSA-N 256.283 4.597 30 10 CJEE CCCCCCCCCC[C@]1(O)CCS[C@H]1C 232929268 OPSBGSCYOVGPCL-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnccc1C 233124887 ONSIVQKDFJSPIA-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE C[C@H](N(C)c1ccc(C#N)c2ccccc12)C(C)(C)C 235494909 MQGODLYAEULXID-ZDUSSCGKSA-N 266.388 4.582 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CCCC[C@H]1C 250798577 BSHQVJGSUGQDMD-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CC(=NO)c1ccccc1OCc1csc2ccccc12 252458865 JGJONAAAYIGOQH-UHFFFAOYSA-N 297.379 4.679 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1C[C@H]2CC[C@H]1C2 253007534 OPDGGFYMOSIUSQ-XLAORIBOSA-N 280.500 4.785 30 10 CJEE CCc1cccc(CC)c1N=Cc1ccc(N(C)C)cc1 254758936 JOCGSZSAPXMUMX-UHFFFAOYSA-N 280.415 4.628 30 10 CJEE CC(C)(C)c1ccc([C@@](C)(C#N)Cc2ccco2)cc1 259638449 RUUAEMJTYAIDDV-GOSISDBHSA-N 267.372 4.601 30 10 CJEE C[C@H](CC#N)c1csc2ccc(Br)cc12 260201692 YUBOGKVIOMRRSB-MRVPVSSYSA-N 280.190 4.681 30 10 CJEE CCSc1ccc([C@H](C)Nc2ccc(C)c(C#N)n2)cc1 302620367 GVJCTMTYWBWUEJ-ZDUSSCGKSA-N 297.427 4.547 30 10 CJEE O=C(C1=CCCCC1)c1ccc2ccccc2c1F 311719258 XZCWNFRNBRLQRY-UHFFFAOYSA-N 254.304 4.662 30 10 CJEE CO[C@@H]1CCC[C@@H](C2(C#N)CCC(C(C)(C)C)CC2)C1 312731533 WCSJJIPGMJYTNE-GARNVTTQSA-N 277.452 4.938 30 10 CJEE C=CCCCCC[C@]1(CNC)CCCc2ccccc21 316747607 QBPORDOLVIBZAY-LJQANCHMSA-N 271.448 4.617 30 10 CJEE N#Cc1ccc(N)c(Sc2ccc(Cl)cc2Cl)c1 322811552 VQESOIUIMWOYSO-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C=CCC(C)(C)COCc1cnc(Cl)cc1Cl 378701499 JZQVMLOSEYFORL-UHFFFAOYSA-N 274.191 4.507 30 10 CJEE C=CCC(C)(C)COc1cccc(SCC)c1C#N 378719989 PSVZPJDCOVHVFO-UHFFFAOYSA-N 275.417 4.651 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCCC[C@@H]1c1ccccc1 384815205 ATMAZSZTQCCYLR-IAGOWNOFSA-N 257.421 4.515 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CCC2(CCCCC2)O1 384914804 YXWLXHAABRZHLL-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cccc(F)c1Cl 387542412 GOYYPUXKFLLWHZ-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(C)c2ccccc12 399804649 FXDLEKLCDAQUQY-GOSISDBHSA-N 253.389 4.765 30 10 CJEE CCCCCCCCCC[C@](C)(F)[C@@H]1[C@H]2CN[C@H]1C2 400660096 ROXBEWRZYVVKBE-TWMKSMIVSA-N 269.448 4.853 30 10 CJEE Cc1cccnc1CCC1(C#N)CCCCCCC1 404981136 QKZRYKODJUWDIK-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1Cl 446851080 AOSUIYNODJQHND-NTZNESFSSA-N 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C=CCCCCCCCCC(=O)[C@](C)(N)CC(F)(F)F 2207414304 NVPPWDAQKJENNV-CQSZACIVSA-N 293.373 4.532 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@]1(CC)CCCCN1 2207424820 JFQBIRKICGPWKI-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1NCC[C@@H]1CC 2207437380 OBIOKEFSELHSPS-WMZOPIPTSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCCNC[C@H](C)c1ccccn1 2207439922 CAXQDFILGXIRJD-KRWDZBQOSA-N 274.452 4.691 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H](O)C1(C)CCCC1 2207442033 NFXCYAFXBFBINT-SJORKVTESA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1ccccc1CC 2207444740 LYHGQTTWNYGVQT-QGZVFWFLSA-N 276.420 4.543 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](N)c2ccc(F)cc2O1 2207466180 BELYDLUJBNATBV-ZBFHGGJFSA-N 279.399 4.727 30 10 CJEE C=C[C@@](C)(CCCOCc1ccccc1)CN[C@@H](C)CC 2210065317 OKAQJLITGKWIPC-HKUYNNGSSA-N 289.463 4.564 30 10 CJEE C=C1CC([C@@H](N)c2cc(Cl)c(Cl)c(Cl)c2)C1 2210145047 UVASHUPECXTATM-GFCCVEGCSA-N 276.594 4.613 30 10 CJEE C=CCCCCCCCCC[C@@H](N)P(C)(C)=O 2215718701 SEUCYIHDDGFDEN-AWEZNQCLSA-N 259.374 4.591 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(Br)cc1C 2215869647 DGEPVFPOGVVFSB-NHYWBVRUSA-N 296.252 4.620 30 10 CJEE N#CC1(CSCCCCCCCC2CC2)CC1 2216877521 NGPNVOWQGSUUMR-UHFFFAOYSA-N 251.439 4.774 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cc(Cl)cs1 2220081043 BAWPJIBQZRFXFE-ZDUSSCGKSA-N 286.872 4.823 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 2220098550 WWBSKWMABKSDRZ-VQHPVUNQSA-N 250.426 4.700 30 10 CJEE CCCCCCCCCCCO[C@@H](CC)C(N)=S 2223249376 TXSQEJLZHMLAOA-AWEZNQCLSA-N 273.486 4.599 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CF)C(F)(F)F 2223856957 JNWXDNAMEQWTAW-NWDGAFQWSA-N 271.342 4.616 30 10 CJEE COc1c(C(=O)C2=CCCCC2)cccc1C(C)C 2224901867 IXUZOQOTBMBYHL-UHFFFAOYSA-N 258.361 4.502 30 10 CJEE CC1(C)C[C@@H]1CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2225692123 USHRTQUMYDFSJL-CABZTGNLSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1cc(C)cs1 2227280946 PRMXSGFHCUSIOV-INIZCTEOSA-N 280.433 4.576 30 10 CJEE C=CCCCCCCC=C1CCC[C@@H]2CNCC[C@H]12 2227290048 YGIOUCOMZUGUEX-QZTJIDSGSA-N 261.453 4.849 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2228492065 RANDCAOFCORJHS-HZMVEIRTSA-N 281.509 4.620 30 10 CJEE CCCCCCCCCCCCOC[C@@H](C)C(=O)O 2231081074 XCVCDFZPWUYECA-OAHLLOKOSA-N 272.429 4.645 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1CCCOCC1 2231907164 UELHSCJRJZZCIW-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)CCc2cccc(F)c2)CC1 2232803440 OBBAXKHWQGFSMJ-OAHLLOKOSA-N 274.379 4.710 30 10 CJEE CC(C)(C)OC1CC(CC[C@@]2(C#N)CCC(F)(F)C2)C1 2232949352 NZCQIDVZEGAFGY-SSDMNJCBSA-N 285.378 4.689 30 10 CJEE CCCC#C[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2233918101 GCKNBBHYFBHXGS-KVMJBUIKSA-N 274.448 4.538 30 10 CJEE O=C[C@]1(CCCCCCC2CC2)CCOC12CCCC2 2234167028 SPRZMDXSWHBGMO-KRWDZBQOSA-N 278.436 4.655 30 10 CJEE C=CCCCCCCCNC1C[C@H]2CC(F)(F)C[C@@H]2C1 2235513179 IZACNKSMADSVPI-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCNC[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2235513739 MKHLDCRGAGMNDW-ARFHVFGLSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCCN1CC[C@@H](COC(C)(C)C)C1 2235539892 RQMVSVOIVVMJGU-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE CCCCCCCC[C@H](NCC)c1nc(C)ccc1F 2237964101 MCRJBFHETDZMNM-INIZCTEOSA-N 280.431 4.930 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2CCC[C@@H](C(C)(C)C)C2)N1 2238170526 OETYUGLSCYCBIG-JKIFEVAISA-N 296.524 4.843 30 10 CJEE C=CCCCCC[C@@H](NC)C1(C)CC2(CC(F)(F)C2)C1 2239183185 JDILEPTWCMHSJW-CQSZACIVSA-N 285.422 4.927 30 10 CJEE CC[C@@](O)(C#Cc1cccc(Cl)c1)CC1CCCCC1 2239467649 KCPMBPQNIPMEJS-GOSISDBHSA-N 290.834 4.803 30 10 CJEE CCCCCCCCCO[C@H](CN)c1ccc(C)cc1 2239487979 VVJBOIBZTWBFSC-GOSISDBHSA-N 277.452 4.762 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)C1CC(C)C1 2239493914 XXKCMOZBWHAAEO-DAWZGUTISA-N 283.500 4.778 30 10 CJEE CCC1CCC([C@@](C)(O)C#Cc2cccc(Cl)c2)CC1 2239503114 VYNDLGNWMOWKHK-PVARCSIZSA-N 290.834 4.659 30 10 CJEE CCC1(CC)CCC(O)(C#Cc2cccc(Cl)c2)CC1 2239504257 YJCCJGUGFFVRSK-UHFFFAOYSA-N 290.834 4.803 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)C#Cc2ccc(Cl)cc2)CC1 2239551588 UNEJQGDDIMXXSG-KOMQPUFPSA-N 288.818 4.867 30 10 CJEE CCCc1ccc(C#CC(=O)c2ccccc2Cl)cc1 2239723207 ZSOPYICJCGACTL-UHFFFAOYSA-N 282.770 4.527 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccccc1CCC 2240167615 NVJAIKHWBHGZCC-VQIMIIECSA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@]1(C)CCC[C@@H](CNC2CC2)O1 2240622457 TXIZRXWVMZPMJE-ZWKOTPCHSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](OCC)C1CCC1 2240642202 JVHGALMJMGLUJF-AEFFLSMTSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]12CCC[C@@H](CO1)C2 2240658373 RNJYUYNUXFJELZ-KURKYZTESA-N 281.484 4.674 30 10 CJEE C=C[C@@H](C)CCN[C@H](CC)c1ccc(Br)cc1 2250902400 SRMPXUIQMWVKDD-IUODEOHRSA-N 296.252 4.702 30 10 CJEE Brc1cccc(C#CC[C@H]2C=CCCCC2)c1 2253292272 KNEBLZPBHKUVTR-AWEZNQCLSA-N 289.216 4.937 30 10 CJEE C#CCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2258561135 DOXNVCDJXJSEPJ-OAHLLOKOSA-N 284.230 4.885 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccsc1)NCCC 2259233907 UTIHZQGOUNCWKB-MRXNPFEDSA-N 265.466 4.795 30 10 CJEE CCCCCCCCC[C@@H](C)NN1CCCCC1 2263717501 HUBVODULZACYCI-MRXNPFEDSA-N 254.462 4.506 30 10 CJEE CCCCCCCCC[C@@H](C)NOC1CCCC1 2263718032 NDEGFFSZKMCAGR-OAHLLOKOSA-N 255.446 4.979 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@@H]1CCC[C@@H](C)C1 2265038066 KPFFRKBCMBZVCR-SPUZQDLCSA-N 261.453 4.776 30 10 CJEE C[C@H]1CC(C(=O)CC=CC#CC(C)(C)C)C[C@H](C)C1 2268742550 OSQDWJYRJBSHRZ-HUUCEWRRSA-N 260.421 4.624 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(OC(C)C)cc1 2271786111 UESMNHFUJPIBID-KRWDZBQOSA-N 261.409 4.610 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1oc2ccccc2c1C 2273025817 KWRHWPNISURQDE-JSGCOSHPSA-N 257.377 4.604 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C1CCCCCCC1 2273991584 INTDQEXPPLIHPW-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CC(CC)CC 2274141067 YBMSEPQPBOYOCF-GOSISDBHSA-N 263.469 4.765 30 10 CJEE C=CC[C@H]1CCCN(CC2CC(CC(C)(C)C)C2)C1 2274311184 JHDTXNSKVUKGLZ-GTPINHCMSA-N 263.469 4.737 30 10 CJEE CN(CCCCCC#N)[C@H]1CC(C)(C)CCC1(C)C 2274530427 XIBRIQOGXSZQSX-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCCC[C@H]1C 2277220843 UIGCVMZYJADGNQ-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2ncsc2c1 2278448895 OFFWICPXYAOZRV-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE C=C1CC(CNCCC)(CC2(C)CC(C(F)(F)F)C2)C1 2279337465 CXNXFOWZVDTCIO-UHFFFAOYSA-N 289.385 4.691 30 10 CJEE C=C[C@H](C)C[C@H](CCC12CC3CC(CC(C3)C1)C2)NC 2279925438 OCKJNGXDWUZDKZ-CSDRPOHMSA-N 275.480 4.783 30 10 CJEE Cc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc(C)c1C#N 2280561654 BEROQDWCBLJLMP-LRDDRELGSA-N 270.420 4.802 30 10 CJEE CCCCCCC[C@H](O)[C@@H](N)c1ccc(Cl)cc1CC 2283849630 DYJWQKJVHALPPC-IRXDYDNUSA-N 297.870 4.624 30 10 CJEE CC[C@@H]1CC[C@@H](CNC)[C@@H](CC=CC#CC(C)(C)C)C1 2284072740 IJYPRWBQQVBDGY-SQNIBIBYSA-N 275.480 4.644 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@@H](C)C1 2284086222 OKBKNPJDCHNGBJ-FGTMMUONSA-N 275.480 4.787 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)CC=CC#CC(C)(C)C)CC1 2284092574 NPNPKEVYXXOQPE-KURKYZTESA-N 276.464 4.950 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C[C@H]1CCCC12CC2 2284169235 JELWLBNUBUTFCE-IAGOWNOFSA-N 273.464 4.541 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CC12CC(F)(F)C2 2287464662 BFKKVGDFETWQIN-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C[C@](O)(C#CC1CCCCC1)c1cc2ccccc2s1 2289773348 VGHNUULSSSOODS-SFHVURJKSA-N 284.424 4.693 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1CCC2(CC1)CC2 2289855511 SRWLIPQISMIBGK-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1CCC[C@@H]1C 2290610616 BOGWCMGODRSBJF-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCCC=C1C 2292764389 ARVIVMOKWSMDCM-GOSISDBHSA-N 279.468 4.747 30 10 CJEE CCCCCCCC[C@H](CC1=CCCC1)OCCCN 2292900605 WPXBNQAGPIRQPV-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](CC1[C@@H]2CCC[C@@H]12)OCCCN 2293013083 JHDHBRYLLNZSNB-BRWVUGGUSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@](C)(CC[C@H]1C[C@@H]1C)OCCN 2293580605 HWFGEBDCJXIAEJ-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H]1CC2CCC1CC2 2293702609 KNVAVWQERKYGDH-OPQOLIRYSA-N 281.484 4.517 30 10 CJEE C=C([C@@H](OCCCN)[C@@H]1CCCC(C)(C)C1)C(C)(C)C 2294273462 TVQQVYFAFVAIMN-HZPDHXFCSA-N 281.484 4.539 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)C1(C)CCCCC1 2295208840 JKONVLOEFFMTGY-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@]12CCCOC2 2295675743 FDYUWCGXJAXQNP-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1csc(C)c1 2295680293 XTVMWCBEAYQMIJ-DLBZAZTESA-N 297.508 4.948 30 10 CJEE C#C[C@@H](C)[C@@](C)(CCCCCCCCC)OCCCN 2295687943 ZGJLKDFHRXLKQD-QZTJIDSGSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1ccc2ccsc2c1 2295882405 WBKHPUCNDYCKST-NVXWUHKLSA-N 291.460 4.623 30 10 CJEE Cc1ccc(C(=O)C=CNc2ccccc2Cl)cc1C 2296876218 CMOOSHXJJPLVOT-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CCC(CC=C)Oc1nc(Cl)c(Cl)cc1Cl 2298834132 QYXZUFHOTDTEBS-UHFFFAOYSA-N 292.593 4.941 30 10 CJEE CO[C@H](C)CCSCCCCCCCCCS 2300057166 OVYCEQDFIZZNRN-CQSZACIVSA-N 278.527 4.805 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1c(Cl)cccc1Cl 2302841423 BGEQOGVIWQXQAF-QMTHXVAHSA-N 270.203 4.610 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)ccc1Cl 2304050485 YOADZAVEUSWMOE-KBPBESRZSA-N 272.219 4.986 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1CC[C@H](COC)C1 2310360294 KTNHWWMCIUFNNG-PMPSAXMXSA-N 251.414 4.549 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1CO 2313968981 JSETXQRSZWWSDK-UHFFFAOYSA-N 282.836 4.754 30 10 CJEE CC(=CCOC[C@@H](C#N)C(C)C)CCCC(C)C 2316520280 IMKLHDFGALGIAR-MRXNPFEDSA-N 251.414 4.571 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc(C)ccc1Cl 2316751665 GQAHGURJLUOTHI-INIZCTEOSA-N 263.812 4.677 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ncc(CC)s1 2319107333 AAVYQWDBAAJNBC-OAHLLOKOSA-N 268.470 4.630 30 10 CJEE CC1(C)CC[C@@H](C[C@]2(C=O)CCCC(C)(C)C2)C1 2319327296 VBOXJFLBGMGAOD-RHSMWYFYSA-N 250.426 4.988 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1csc(C(F)F)c1 2321102485 RDPBJJUDYJKQLA-TZMCWYRMSA-N 273.392 4.939 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC[C@H](C)C1)NC 2321107619 ICTZARGLVVJTLR-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)c(Cl)cc1C 2321126687 CHPIPIOEBWCYDW-BDJLRTHQSA-N 265.828 4.820 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC[C@@H]1CCCCC12CC2 2321228427 MGKLBEJUMGGHNW-GJZGRUSLSA-N 250.426 4.700 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC[C@H]2CCC(C)(C)C2)C1 2321639576 MGCGWLKUOJNYCL-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@H]1CNC[C@H](C(F)F)C1 2328334950 OTGGYCKCCJGFSL-ZIAGYGMSSA-N 261.400 4.618 30 10 CJEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(F)cc1 2330252794 ODOBUFNEEHFQMH-UHFFFAOYSA-N 291.753 4.810 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@]12C[C@H]1[C@H](C)C2 2333365124 CZXVOALJNJEPII-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)OCC(=O)c1ccc(Cl)cc1Cl 2335108526 GEQHTBFQJRATGC-UHFFFAOYSA-N 299.197 4.714 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CNC(C)C 2335244401 GHODNJZJYBKXON-NSHDSACASA-N 285.403 4.520 30 10 CJEE Cc1ccc(C(C)C)cc1N[C@H]1CCCC[C@@H]1C#N 2337630667 GHNNYPQGIBAMCX-CVEARBPZSA-N 256.393 4.613 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1ccc(CCC)cc1 2338730929 VVQYBLDKMVZKMH-SFHVURJKSA-N 257.421 4.581 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2338731869 DOSAHEFAZIVZTL-IXDOHACOSA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@@H](CC[C@@H]1CC1(C)C)NCCC 2338739940 ALBIVBRWUBRWAY-IAGOWNOFSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1c(C)coc1C 2338746962 LUGSMXCSPRYELL-KRWDZBQOSA-N 261.409 4.706 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338748074 WLTAIZWAXZYLGE-QBYUYEEZSA-N 260.421 4.908 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1cccc(C(C)C)c1 2343602794 DZMHUQUCJDSGPZ-CRAIPNDOSA-N 257.421 4.510 30 10 CJEE CCCCCCC[C@@H](C)NCC1(C(C)(C)OC)CC1 2343750044 REYYRADQKGWLFS-OAHLLOKOSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1cccc(C(C)C)c1 2343751380 JWSQABMOLJMZEA-GOSISDBHSA-N 257.421 4.741 30 10 CJEE CC(C)c1cccc(CN(C)CC[C@@H](C)CCS)c1 2343775880 KYJXCOCELZNDEP-OAHLLOKOSA-N 279.493 4.588 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C(C)(F)F)CCC1)NC 2344339443 JIHPOVLFUZTMBC-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](CC1C[C@@H]2CCC[C@H]2C1)NCCC 2344340050 OGSBYNDWJAYPNT-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(F)c(F)c1 2344341760 DYMFLGAVOHBOFG-JKSUJKDBSA-N 267.363 4.608 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@]1(C)CCCC1(F)F)NCCC 2344349354 RZLPLYNPKYKADG-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@H](C(F)(F)F)C1)NC 2344372615 UEIFZBWAWDYYBM-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1c(F)cccc1Cl)NC 2344386075 UHZVVLNXUOTVJT-JKSUJKDBSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc2cccc(C)c2o1 2344394809 GJTRPZZWNXTYSJ-QGZVFWFLSA-N 256.345 4.916 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccccc1C(C)C 2344395046 HNVXNWMROUJLIX-ROUUACIJSA-N 259.437 4.672 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc2cccc(C)c2o1 2344459069 DUTGYWIOEUWYMZ-SJORKVTESA-N 258.361 4.767 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356211096 YRHMQJMPWNZZTP-WNRNVDISSA-N 282.468 4.693 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NCC 2358948445 VSCINFCNFPOHJM-XDNAFOTISA-N 283.500 4.512 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(F)c1)CC2 3582406 HTLQFKCXIPSJFP-XNTDXEJSSA-N 280.342 4.655 30 10 CJEE Clc1ccc(N/N=C2\CCc3ccccc32)cc1Cl 5504717 KKNRZORNBYZKBS-XDJHFCHBSA-N 291.181 4.756 30 10 CJEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1 36954516 ZTCAYPOSXSXBCJ-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE N#Cc1cccc(N[C@@H](c2cccs2)C2CCCC2)c1 37203302 FPCNTIWBZSVYER-QGZVFWFLSA-N 282.412 4.963 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl 37253366 BETNFRSONBTPDL-GZBFAFLISA-N 288.822 4.982 30 10 CJEE C[C@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334034 NZHLGTSUAHBVDF-GWCFXTLKSA-N 283.293 4.535 30 10 CJEE CCc1ccc(C[C@@H](C#N)c2ccc(Cl)cc2)cc1 41391015 BKEINXYDYMPYND-INIZCTEOSA-N 269.775 4.752 30 10 CJEE CC(C)c1ccccc1NC(=O)C1(C#N)CCCCCC1 44764760 SHPTXEUFIIYDBM-UHFFFAOYSA-N 284.403 4.613 30 10 CJEE CCCCC[C@H](N[C@H](CC)CC#N)c1ccccc1 54183717 WXRMRLXRUCNAQD-SJORKVTESA-N 258.409 4.590 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(OC)cc1OC 59261255 GTFISNJLZSMUBF-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCOc1ccccc1/N=C/c1cccn1-c1ccccc1 59679244 PQQJLYZBANRLCS-HMMYKYKNSA-N 290.366 4.627 30 10 CJEE C=CCc1cc(C=O)cc(C(C)C)c1OCc1ccccc1 66117795 WZLSJQRQGOVYLL-UHFFFAOYSA-N 294.394 4.930 30 10 CJEE COc1ccc(C(C)C)cc1-c1cc(C#N)c(C)s1 77095211 UJDAYWZJOYWGKV-UHFFFAOYSA-N 271.385 4.727 30 10 CJEE CCC(CC)(CS)CSc1ccc(C)cc1 87096034 VXMFBAUIGBGPNH-UHFFFAOYSA-N 254.464 4.823 30 10 CJEE C=C(C)[C@H](NCCC)C(CC)(CC)c1ccccc1 92116761 XZONVDVBYHADFD-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CCCCCCCN1C[C@@H](CC)Nc2ccccc21 106598518 ZOFDUJPLNZOVMK-OAHLLOKOSA-N 260.425 4.668 30 10 CJEE CCCCCCCn1cc(CCCO)c2ccccc21 107037748 FJAXYXQMFGQZJG-UHFFFAOYSA-N 273.420 4.537 30 10 CJEE CCC#C[C@H](C)Cc1c(C)cc(OCC)c(C)c1C 107638807 OZYYQVREOCOIHF-ZDUSSCGKSA-N 258.405 4.603 30 10 CJEE Cc1cccc(C(=O)/C=C/Nc2ccc(C)c(Cl)c2)c1 108530905 IERVYQFPWQCINA-CMDGGOBGSA-N 285.774 4.765 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(F)c(C#N)c1 109947714 XKNBJWPXQLKGET-ZBFHGGJFSA-N 274.383 4.714 30 10 CJEE C[C@H]1CC(C)(C)C[C@](C#N)(Nc2cccc(Cl)c2)C1 110028767 DWJAPNUUNPZBLY-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](CC)CC[C@@H]1NCCC 110081267 IJBVUQBIXOTSGB-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=CCc1ccccc1OCCNc1cccc(Cl)c1 110245688 XULYQQGBYZVETL-UHFFFAOYSA-N 287.790 4.559 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](C)(CC)N1CCCCC1 118163967 JUWCEEYKLNVCES-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1ncc[nH]1 123803801 FJPCUQVQNZZCFA-INIZCTEOSA-N 279.472 4.981 30 10 CJEE CCCCCCCCCCNc1ccc(F)cc1N 124742796 XGFRHNIBWKKWDA-UHFFFAOYSA-N 266.404 4.961 30 10 CJEE CCCCCCCCCCNc1ccc(N)cc1F 124755691 ONAWKRIRXLJQBK-UHFFFAOYSA-N 266.404 4.961 30 10 CJEE CCCCCCC[C@H](NC)c1sccc1CC 158082799 VBIRXGSIARYEMY-AWEZNQCLSA-N 253.455 4.932 30 10 CJEE CCCCCCCC[C@@H](NC)c1sccc1OC 158988634 CCQYTOAUSUVPHQ-CYBMUJFWSA-N 269.454 4.768 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](C)CCN 226740799 FLPCFZUMLUGCKY-INIZCTEOSA-N 269.473 4.851 30 10 CJEE CCCCCCCCCCCCN[C@H](C)C[C@@H](C)O 228105470 RJHVMDHRBMJSEE-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=CCC[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC 229383229 YMQQLYXKEZFBRL-RYQLBKOJSA-N 259.437 4.761 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)OC)NCCC 230965506 BEBIOJQZURNWEB-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)C1 230995755 MNUIWRJRBOABKK-UONOGXRCSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCC(=O)CC1(OC)CCC1 232928032 WTEUEJNNKBBELZ-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@H]1CC(C)C 250844105 ZMJADRCZHKSTMH-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE C#CC[C@H](CC)N[C@@H]1CCCC[C@H]1C1CCCCC1 252913237 NCUWEBSBEQFQNH-OKZBNKHCSA-N 261.453 4.517 30 10 CJEE C=CCC(F)(F)C(=O)Nc1c(CCC)cccc1C(C)C 295021378 WRQVRXJWEJKAAV-UHFFFAOYSA-N 295.373 4.912 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@H](C)S1 300172651 RMACSDRIPHVYDF-QPSCCSFWSA-N 290.538 4.724 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](C)CSC 306017416 PQFHAAWQNDXKBA-GJZGRUSLSA-N 260.487 4.877 30 10 CJEE C=C([C@@H](NCC)c1cc(Cl)cc(Cl)c1)C(F)(F)F 311077086 ASIPEBYPHFWITM-LLVKDONJSA-N 298.135 4.763 30 10 CJEE Cc1cccc(NCc2cc(Cl)sc2Cl)c1C#N 312595160 FCKZDUXXKQWVQW-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCC(=O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 312860965 QSIIZXWLNVLQGQ-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCCC[C@@H]1N 312956829 ITTCDXDDYNNYBT-AEFFLSMTSA-N 281.484 4.994 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)cc2Cl)C1 316831239 VLAJYUWHYUBABT-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@]2(C=O)CCc3ccccc3C2)C1 316849399 IQGBFFWFAGAGSW-LZQZEXGQSA-N 270.416 4.577 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cc(Cl)ccc1Cl 317101976 CEBDRSORKCFZTH-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CO[C@@H](CC1(C#N)CCCCCC1)c1ccccc1 379123637 MTHALLBXWMMKDM-INIZCTEOSA-N 257.377 4.628 30 10 CJEE C=CCCCN[C@H](C)c1cc2sccc2s1 381761850 UCRLRDXMZZOAJR-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE CCCCCCCCC[C@@H](NC)C1CC(F)(F)C1 383346725 ZRMYZRZWNBJQBP-CQSZACIVSA-N 261.400 4.760 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1sc(C(C)(C)C)nc1C 384907476 CLBPDDXYCCJDHP-NSHDSACASA-N 280.481 4.612 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(C(F)(F)F)cc1 385011247 NJFWQTKWFNVZND-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE C=CC[C@@H](CNCCC)Cc1ccc(C(C)(C)C)cc1 387066093 XLAHKDZSBHUONP-QGZVFWFLSA-N 273.464 4.719 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@H](CS)C(C)(C)C)s1 387249236 JYWOKLJMXROTNM-QWHCGFSZSA-N 285.522 4.641 30 10 CJEE CC1([C@H](O)C2(C#N)CCCCCCC2)CCCCC1 394761744 WWSMXFZKVQQNMC-HNNXBMFYSA-N 263.425 4.572 30 10 CJEE CCCCCCC[C@H](CCN1CCCCC1)NCCC 395816632 MIYJUCKVXGWWTJ-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CC(C)(CCOc1c(C#N)oc2ccccc12)C1CC1 406140688 QOBIJFAHAZHAGF-UHFFFAOYSA-N 269.344 4.510 30 10 CJEE C=CCN(C(=O)c1cccc2ccccc12)c1ccccc1 481855522 KLOHETFZPXATSN-UHFFFAOYSA-N 287.362 4.673 30 10 CJEE C=CCCCCCN[C@@H](CC(C)C)c1ccccn1 558995553 NCNPZKXPIUCGAK-KRWDZBQOSA-N 260.425 4.505 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H](C)O[C@H]1C 686464187 LSWXRYRDRUCJNL-XDNAFOTISA-N 283.500 4.919 30 10 CJEE CC(C)(C#N)CCCNc1ccc(F)cc1C(F)(F)F 690217349 PILRPXPSMQMFCZ-UHFFFAOYSA-N 288.288 4.586 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](O)C1CC1 690326917 IHPDBASDWPQXEP-SFHVURJKSA-N 283.500 4.610 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(F)F)cc1 692234412 JMGRRVCVDDNGIS-GOEBONIOSA-N 279.374 4.849 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@H](C)c1ccccc1Cl 695840619 DBUSYFPFUQDEJE-QWHCGFSZSA-N 278.827 4.661 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1C1CC1 695874242 VVVMQCHYRBVBPL-DOTOQJQBSA-N 288.822 4.617 30 10 CJEE C=CCCSCCN[C@@H](C)c1oc2ccccc2c1C 696063959 VUASWXCLVWYBGB-AWEZNQCLSA-N 289.444 4.701 30 10 CJEE CCC(C)(C)CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 697211690 TXJSNQBQFKFJFS-NSHDSACASA-N 298.213 4.996 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1C[C@H]2CC(=C)C[C@H](C1)C2 697268668 BPDTZBLVJBIXMI-IMBTUZDBSA-N 273.464 4.846 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(F)c3C)C[C@@H](C1)C2 697310689 ZCKFCBNSFMUDAE-YIONKMFJSA-N 259.368 4.681 30 10 CJEE CCCCCCCCCOC[C@@H](C)[C@@H]1CCCCN1 700343710 JTMAYGGSNBNBFD-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CC(C)(C)CCNc1cccc(SCC)c1C#N 701881762 OREKFOJAOGEQMX-UHFFFAOYSA-N 274.433 4.684 30 10 CJEE C#C[C@H](N[C@H](CCCC)c1ccccc1)C(C)(C)C 702280288 FWYZCNVRMWOBQX-SJORKVTESA-N 257.421 4.555 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCCC[C@H]1CC 704004982 BUOYIZVJYKNFKC-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(CN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)c1ccccc1 705968923 DEHWUZTZLHXDKC-ZYSHUDEJSA-N 271.448 4.750 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 710497886 XVVJWUGHJVYINN-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 710736953 QKLCPEZDHFCNRF-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nccn1C1CC1 711823835 YHWDITSKZLNDLT-MRXNPFEDSA-N 278.440 4.782 30 10 CJEE CCCCCCCCCCCC(=O)CC[C@@H]1CO1 718630343 ZJFLCGDJVMJRTD-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCNCC1(C)CC(F)(F)C1 720949245 JPKNHEPOKSJKEG-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE O=C1C=C(CCc2cc(Cl)cc(Cl)c2)CCCC1 722121135 VIZIVVQZJMUARX-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=C1CCC(C[C@@H](O)CCC2CCCCC2)CC1 724551155 BRLHMAQTTXTXEJ-KRWDZBQOSA-N 250.426 4.844 30 10 CJEE Cc1sc2cccc(C#N)c2c1SC(F)(F)F 725292419 VESHZEJHEWHODU-UHFFFAOYSA-N 273.304 4.693 30 10 CJEE C=CCCc1ccccc1NC(=O)C(F)=C1CCCC1 800155203 UVLUMECLGKETPY-UHFFFAOYSA-N 273.351 4.541 30 10 CJEE C=C[C@H](CC)CC(=O)NC(C)(C)CC1CCCCCC1 1128150186 GPNUYEQTGRXWME-OAHLLOKOSA-N 279.468 4.844 30 10 CJEE C=CCCC(=O)N(CC(C)C)[C@@H](C)c1ccccc1Cl 1128840220 ABEPEVZDJOFSJV-AWEZNQCLSA-N 293.838 4.852 30 10 CJEE C=CCCCCCCNC(=O)c1ccccc1C(C)C 1128848693 LUCICBLGTDRPOW-UHFFFAOYSA-N 273.420 4.676 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)CC(C)(C)C 1130905076 VCIVKSCXAWMFNM-ARFHVFGLSA-N 279.468 4.700 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCCC(C)(C)C1 1180505172 ITABRNZAEXNGCV-OAHLLOKOSA-N 277.477 4.953 30 10 CJEE C=C1CCC(CN[C@@H](C)Cc2ccccc2SC)CC1 1183726724 ALTGHZKCBKVWKW-HNNXBMFYSA-N 289.488 4.676 30 10 CJEE C=CCN(CCc1ccccc1)CCc1ccc(Cl)cc1 1190699752 NSVYCVQEGNFNRT-UHFFFAOYSA-N 299.845 4.613 30 10 CJEE C=CC(C)(C)CCNCc1cc(C(C)(C)C)oc1C 1203235642 SWENFLGURVISHI-UHFFFAOYSA-N 263.425 4.577 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CC12CCCCC2 1216883979 JIJZWLULQKYJDV-QGZVFWFLSA-N 298.430 4.650 30 10 CJEE N#CCc1cc(-c2cccc(C(F)(F)F)c2)ccc1F 1239515585 AMPPCLZPRXGEJC-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@@H](CC)c1ccc(C)cc1 1273994052 DQVFNAQVNIJMNT-MRXNPFEDSA-N 287.447 4.597 30 10 CJEE C=CC[C@H]1N(Cc2cnc3ccccc3c2)CCCC1(C)C 1307728991 IUSXDNULVFJTTP-LJQANCHMSA-N 294.442 4.802 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc2c(ccn2CCC)c1 1358086162 UBCWULIDVFGTTH-UHFFFAOYSA-N 296.414 4.758 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C(C)=C/C1CCC(C)CC1 1435672291 AVUIZQPTPMLTFD-YQHRVFFTSA-N 277.452 4.620 30 10 CJEE C=CCCC[C@H](NCc1ccc(C#N)cc1)c1ccccc1 1460710311 OPWRSNVIAPPRND-FQEVSTJZSA-N 290.410 4.745 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2c(F)cccc2F)o1 1461466233 VWJDEZDTTLLTNM-GFCCVEGCSA-N 291.341 4.669 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccsc1Cl 1473136526 HGVQEJPEOKRUEF-UHFFFAOYSA-N 291.847 4.632 30 10 CJEE C#CCCCCCCN1CCc2ccc(C(C)C)cc2C1 1473624223 QKECFCSHBTUHES-UHFFFAOYSA-N 283.459 4.752 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C 1521751219 OJTBIELSXKKAOD-KXBFYZLASA-N 297.442 4.585 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XWWOVDKWAYJQJC-UHFFFAOYSA-N 272.779 4.514 30 10 CJEE C=C1CCC(C[C@H]2C[C@H](NCC)CC(C)(C)C2)CC1 2127156720 PSVQTWRKQNRWSF-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C#CCCCCCNC(C1CCCC1)C1CCCC1 2129344694 XZYUTHGNSLUZSN-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CCCCC1CCC(CO)(CC#C[Si](C)(C)C)CC1 2130922773 LGGTXQXFRHCVNC-UHFFFAOYSA-N 280.528 4.616 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CS[C@H](C(F)(F)F)C1 2132689974 SCTZDWKMOAYGJQ-XQQFMLRXSA-N 297.430 4.761 30 10 CJEE C=CC1(CN[C@H](CC)c2cccc(F)c2)CCCC1 2132974265 SYPLMMASFRRNIE-MRXNPFEDSA-N 261.384 4.613 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CC23CC(F)(F)C3)C1 2133017260 FNIJWDZOBONYRL-JSGCOSHPSA-N 270.363 4.597 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H]2C2CCCC2)CCCC(F)(F)C1 2135636174 NFCCAHGAJHLVSX-KFWWJZLASA-N 270.363 4.597 30 10 CJEE CCCCC#CC[C@H](NCC)c1ccc(SC)cc1 2138957221 TXEVBYVSOCZKES-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE CCCCCC#CC[C@@]1(N)CCCCC[C@H]1C(C)C 2138993230 HJOWVPKCLFKIHH-ZWKOTPCHSA-N 263.469 4.894 30 10 CJEE C=CCCCCCCN1CC[C@@]23CCCC[C@@]2(C1)C3 2141921204 IIXMPHZHVMTQML-MSOLQXFVSA-N 261.453 4.779 30 10 CJEE C=CCCCCCCCCC[C@@]1(C#N)CCCCN1 2142392088 FZBIFKPHOXQAKX-KRWDZBQOSA-N 262.441 4.719 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCO[C@@H](CC)C1 2142436789 XPQZXBVUVIUELS-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCCCN[C@H](C)c1ncco1 2142445297 DHBFWVALRLJFLK-OAHLLOKOSA-N 264.413 4.632 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1C[C@H]1CC 2142445765 JIZDUSGXSLQYDI-IKGGRYGDSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H](C)CCCC 2142450695 OCMQOFFUQBDAGJ-DLBZAZTESA-N 268.489 4.951 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC(C)(C)C)NCC 2142458393 PYJDNNABYAIQLZ-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE CCCCCCCCOc1cc(CNCC)ccc1C 2143407535 PWJTYMAAQISOSL-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE CCCCCCCC1(CNCCOC)C(C)(C)C1(C)C 2143711914 HVWRXMSPZYSYNZ-UHFFFAOYSA-N 283.500 4.635 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C2CC2)cc1 2145255305 OQONNAPBOQVAAW-SFHVURJKSA-N 274.452 4.819 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3C[C@@H]4CCC[C@H]43)n2)cc1 2145450449 STRKTYJXHYBZOW-RRFJBIMHSA-N 280.396 4.585 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1[C@H](C)NCCC 2149394449 AGQXXBHJSBAQHH-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCCCCCC1(F)F 2152772152 HYORDVADIIRONJ-AWEZNQCLSA-N 298.764 4.982 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)c1 2154173189 ZQHUAZPQUALERT-LZLYRXPVSA-N 268.404 4.638 30 10 CJEE C=C([C@H](N)c1ccc(-c2ccccc2)cc1)[Si](C)(C)C 2154759653 FKNSQGALYICBQZ-SFHVURJKSA-N 281.475 4.787 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCOC12CCCC2 2155144611 JQSMAFNXZFNUMF-QGZVFWFLSA-N 281.484 4.948 30 10 CJEE Cc1ccc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)cc1 2157118580 VIVXZTOBCPXLRZ-AEFFLSMTSA-N 271.404 4.529 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@]12CC[C@@H]1C2 2157491503 MEMKZMZIGORVQI-SQNIBIBYSA-N 280.500 4.929 30 10 CJEE C=CC[C@@](C)(O)[C@@H](CCCCCCCCCC)NCC 2157998281 DKMIUKYQSPXDIP-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=C1C[C@H]1CC(=O)Cc1c(C)cc(C(C)(C)C)cc1C 2158773644 YSGGMPYQGKTPLY-HNNXBMFYSA-N 270.416 4.679 30 10 CJEE C=C1CC(CNCC(C)C)(Cc2ccc(Cl)c(C)c2)C1 2159587678 PYMSASMRUWNVFN-UHFFFAOYSA-N 291.866 4.773 30 10 CJEE CC(C)CNCC1(CC#CC2CCCCC2)CC=CC1 2160160640 VQNNKSXQCPSJLP-UHFFFAOYSA-N 273.464 4.542 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1nc(CC)oc1C 2160606268 MVDHRSXZJDVKRF-OAHLLOKOSA-N 278.440 4.723 30 10 CJEE Cc1nc(N[C@@H](C)CC2=CCCCC2)c(Cl)cc1C#N 2161416670 ZOWHWMAJDKAQGD-NSHDSACASA-N 289.810 4.606 30 10 CJEE CC1(C)C[C@](C#N)(C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCO1 2161604511 UEEWDOUGAQDJPJ-YRBFXIGRSA-N 275.436 4.548 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnn(C(C)C)c1 2164200740 JUQAMYIVGRVRDM-KRWDZBQOSA-N 277.456 4.641 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@H]1Cc2cc(C)ccc2O1 2164474656 GEVCKJMFEXKKPP-AEFFLSMTSA-N 271.404 4.799 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2(O)CC3(CCCCCC3)C2)C1 2164753225 XPMLAFUZZZQJHW-WBVHZDCISA-N 275.436 4.572 30 10 CJEE CCCCCCCCCC(=O)c1ccn2ccnc2c1 2165255321 MXEQKSSQVLYPON-UHFFFAOYSA-N 272.392 4.658 30 10 CJEE CC[C@H]1CCC[C@@H](N(C)CC2(C#N)CCCCC2)CC1 2166295088 YQIIBNYEQUUQBH-DLBZAZTESA-N 276.468 4.751 30 10 CJEE C=CC1(C[C@@]2(O)CCC(C)(C)c3ccccc32)CCC1 2168031552 QMJDPCLLBYNEAC-IBGZPJMESA-N 270.416 4.692 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@H](C)[C@H]1CCC[C@H](C)C1 2168527463 RMKHQXCQRJWSRJ-IMJJTQAJSA-N 270.420 4.518 30 10 CJEE CCCCCCC[C@H](C)Nc1cnn(CC(F)(F)F)c1 2169402273 XZTHROYHJMLZHI-LBPRGKRZSA-N 291.361 4.606 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2COCCC2(F)F)CC1 2170304235 FEKKFGRPZMAGGN-HIFRSBDPSA-N 285.378 4.549 30 10 CJEE CC1([C@@](C)(O)[C@]2(C#N)CCCCC23CC3)CCCCC1 2173629433 NVRGEIUPMQDYRY-SJLPKXTDSA-N 275.436 4.572 30 10 CJEE CCCCCS[C@@H]1C[C@@H](CC)C[C@](C#N)(NC(C)C)C1 2175408284 FKQFZPSATRPYKM-ZACQAIPSSA-N 296.524 4.749 30 10 CJEE CCc1ccccc1CNc1cc(Cl)c(C#N)cc1F 2177387870 JAULCQCCOGRCSH-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE C=C(Cl)CO[C@@H](C(C)C)[C@H](NCCC)c1ccccc1 2178548332 HEFSXUQLILIANC-SJORKVTESA-N 295.854 4.521 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(F)cc1C(F)(F)F 2179680544 KJELKCABCIZIQE-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCC[C@H]1CCCCN(c2cc(CC)ccc2C#N)C1 2188838890 IZKYCZAWWZAZDF-INIZCTEOSA-N 270.420 4.527 30 10 CJEE CCCCCCCCCc1nc([C@H]2C[C@@H]2CNC)cs1 2193943392 BTTVPZWDTWQVKM-CABCVRRESA-N 294.508 4.759 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc2sncc2c1 2196170613 BFICVHUBWWKESJ-INIZCTEOSA-N 286.444 4.531 30 10 CJEE CC#CCCCC[C@H](O)C(CC)(CC)c1ccccc1 2196172604 UZHARMCAJQKUCW-SFHVURJKSA-N 272.432 4.689 30 10 CJEE CC#CCCCC[C@H](NCCC)c1c(F)cccc1F 2196174902 SJVBQWNYYZZYSF-INIZCTEOSA-N 279.374 4.589 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1cc2ccc(F)cc2s1 2197136908 JIRHSBAAQUFMGA-KRWDZBQOSA-N 284.355 4.787 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H]1CCCCC1(F)F 2197148448 PFBRAVQNXSTBLE-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1C[C@@H]1C1CCOCC1 2200242949 DFJNNGXUTGEBMT-OKZBNKHCSA-N 282.468 4.551 30 10 CJEE CC(C)(C#N)CCCOC[C@H]1C[C@H]1C1CCCCCC1 2200737226 GVTLCQHEIDJXJH-SJORKVTESA-N 277.452 4.939 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](N)CCCCC(C)(F)F 2201558383 DJVGFODNXRECEM-LSDHHAIUSA-N 293.442 4.641 30 10 CJEE CC[C@@]12CC[C@@](C[C@@]3(C=O)CCCCC3(C)C)(CO1)C2 2201836445 DJKGQCZBAJTMOV-KSZLIROESA-N 278.436 4.511 30 10 CJEE CCCCCCCCOC[C@H](NCCC)[C@@H]1CC1(C)C 2203510807 OTMASPFMMQYNLX-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE CCCC#CC[C@@H](CSc1ccc(C)cc1)NCCC 2203792185 OTIGBLUUBSOYGO-KRWDZBQOSA-N 289.488 4.649 30 10 CJEE CCCCCC#CC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1 2203824197 SKFCCFBCEJTELG-KZNAEPCWSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1C[C@@H]1c1ccccc1 2206891044 IWOFXIRGJRCWCT-QYZOEREBSA-N 271.448 4.905 30 10 CJEE C=CCCCCCCOc1cccc([C@H](C)NCC)c1 2206895043 PYHJSACNLTZOFW-INIZCTEOSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCN(C)[C@@H](C)c1ccccc1OC 2206900769 WIKTWCRETDQDEY-INIZCTEOSA-N 275.436 4.825 30 10 CJEE C=CCCCCCC[C@H](N)c1nccc2ccccc12 2206901289 AWLZNCQSNWEYPP-KRWDZBQOSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCC[C@H](OC)C1 2207381215 GVCHLIRXLDIJNH-ROUUACIJSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CCCCC[C@H]1N 2207391460 LXEBNWVHYLIVTC-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCCCCNCCCOC1CCC1 2207402258 AQPZWQNTGLZDSI-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCC[C@H](OCC)C1 2207414153 NFBDMMZYTDEPLY-ZWKOTPCHSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@]1(O)CCCC1(C)C 2207439197 UOJCNISSDHQBCD-AEFFLSMTSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@H](CC)CCCC 2207448978 OGJJPBHKRDRVHR-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE CN[C@](C#N)(CSC1CCCCC1)C1CCCCCC1 2208111721 MBUYVXUVARUZPK-QGZVFWFLSA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CCC2(CC2)C1 2220087172 UKHZSDQNKSXDOT-HZPDHXFCSA-N 250.426 4.844 30 10 CJEE C=CC[C@H](CCCCC(C)(F)F)CN[C@H](C)CC 2223570137 XNXGIMZCOYEKOU-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CC[C@H]2C[C@@H]1C2 2223868902 WZQQAVDZZYIEGB-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCCCOCCC[C@H](C)NCC 2225675040 FEBQNBNMQPUVED-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@@H](N)C(O)(CCC)CCC 2227268778 SJHAPJITHWJPKX-MRXNPFEDSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](CC)CCOC 2227270057 CHEJYWAIUNATPY-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCC[C@@H](OCC)C1 2227270072 DBVCTJNTHKMSNW-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccc(C)nc1 2227273307 HFKNRGLKDSIUJM-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=CCCCCCCC[C@@H](CCOCCCC)NC 2227282829 LIAJSFMIDPOEPN-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@H]2CSC[C@H](C2)C1 2228523955 ABXLUBKLFJRZTN-WCXIOVBPSA-N 283.525 4.857 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1sc(C)c(C)c1C 2228568643 OESDVRUZBBGTDL-HNNXBMFYSA-N 270.401 4.659 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@@](C)(O)c2cc(Cl)cc(Cl)c2)C1 2229578636 YLBJBZUSPYRWAY-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE N#Cc1ccc(SCCCCCCCC2CC2)nc1 2230879030 IAJFNYFLQVTJGA-UHFFFAOYSA-N 274.433 4.796 30 10 CJEE CCCCCCCCCCO[C@@H](C)CNCC(C)C 2231017324 YGLTYRUPBCVJRF-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@](C)(NC)c1nc(C)c(C)s1 2231853492 YWWQDCLWNKWOLH-INIZCTEOSA-N 282.497 4.945 30 10 CJEE CCCCCCCC[C@](C)(N)c1cc(C)nc(C)c1 2231901047 NGLURIZWZGSXPX-KRWDZBQOSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@H](C)NCC1CC(OCC)C1 2231941639 RPKNFFFKRAZFMU-GTPINHCMSA-N 269.473 4.530 30 10 CJEE CCCCCCCN(C)CCC1CC(OC(C)(C)C)C1 2232950562 VZFVDMPOYRIDRK-UHFFFAOYSA-N 283.500 4.872 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1 2233649874 UHHCMYICARYXGD-MLHJIOFPSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCOc1cc(C(C)=O)ccn1 2234032482 BDIBDXLGZGINJB-UHFFFAOYSA-N 275.392 4.580 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)CCCCC2CC2)C1 2234080953 ANASXNDRWJEISF-KZNAEPCWSA-N 276.468 4.607 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CCCCC2CC2)C1 2234080954 ANASXNDRWJEISF-SQNIBIBYSA-N 276.468 4.607 30 10 CJEE C=CCCCCCCCn1ccc2cc(C=O)ccc21 2235524487 QOWXXZMFOLYPEI-UHFFFAOYSA-N 269.388 4.980 30 10 CJEE CC1(C[C@]2(C=O)CCCC2(C)C)CC2(CC(F)(F)C2)C1 2238796539 FVDNLVWBUVAWGB-INIZCTEOSA-N 284.390 4.988 30 10 CJEE CC(C)(C#N)CCC[S@@](=O)CCCCCCCC1CC1 2239348210 YYADDBKPBLRCJN-FQEVSTJZSA-N 297.508 4.816 30 10 CJEE CC1(C)CCC([C@@](C)(N)C#Cc2ccc(Cl)cc2)CC1 2239459385 DMOVEJDXWOFUFK-SFHVURJKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCCCCCCO[C@H]1CNOC1 2239555524 XOMDHHDOIYHSNW-KRWDZBQOSA-N 285.472 4.608 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)c(F)c1F)[Si](C)(C)C 2239761241 DRLWJLKMLGCXTK-MRXNPFEDSA-N 297.465 4.748 30 10 CJEE CCCCCCC[C@@]1(CN[C@@H](C)CC)CC(C)(C)CO1 2240125944 GQISMUICGIVNAG-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE C=CCCC[C@H](Cc1ccc(C2CCC2)cc1)NCC 2240346971 KJVLDHSFFYMDBM-LJQANCHMSA-N 271.448 4.831 30 10 CJEE C=CCCCCCCCCCN1CCOC[C@@H]1C(C)C 2240393840 WCNWPTQYFHPJTM-GOSISDBHSA-N 281.484 4.650 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1OCCCC1(C)C 2240665861 HSSRHDPHORQRNF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C(C)CCCCC[C@H](N)c1cccc(Cl)c1 2250180604 CLVQYXDMQZUJOF-HNNXBMFYSA-N 251.801 4.866 30 10 CJEE CC1CCC(C=O)(CC[C@H]2CCC[C@@H](C)C2)CC1 2254002114 KWMHWQRASHJPQT-JCCCHCCOSA-N 250.426 4.988 30 10 CJEE C=CCCCc1sc(CNC(C)(C)C)c(C)c1C 2254700260 KQBXWGCFZKQMFX-UHFFFAOYSA-N 265.466 4.762 30 10 CJEE C=CCCCCCCC[C@@](C)(O)[C@@H]1CC12CCC2 2256451318 JJDLANSMNZTKTH-JKSUJKDBSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCSc1ncccc1C#N 2258998902 WOQURUJPYNVFBM-UHFFFAOYSA-N 260.406 4.572 30 10 CJEE C=CCCCCCC[C@@H](O)c1csc(C)c1OC 2259128108 LFQWIVWDWIGGBD-CQSZACIVSA-N 268.422 4.625 30 10 CJEE C=C(C)CCCCNCC1(C)CCC(F)(F)CC1 2259209832 DQSLXUFXKMMICQ-UHFFFAOYSA-N 259.384 4.538 30 10 CJEE C=CCCCCCC(=O)c1cnc(C(C)(F)F)s1 2260714388 KVFXSDWGMJAHBX-UHFFFAOYSA-N 273.348 4.574 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1csc(Cl)c1 2261123177 MMSLMIVPQBXFPB-CQSZACIVSA-N 281.852 4.636 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnsc1C 2263662921 XJVXUJFPCKKZBI-HNNXBMFYSA-N 268.470 4.766 30 10 CJEE C=CCCCCCC[S@](=N)(=O)CC1CC2(CCC2)C1 2268487287 SIJNMDUHWDXQBD-IBGZPJMESA-N 283.481 4.750 30 10 CJEE C[C@H]1C[C@@H]1CCCCCOc1cccc(Cl)c1C#N 2269398027 LADYWKQYEWTTCL-STQMWFEESA-N 277.795 4.807 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(C(F)(F)F)c1 2271763401 JESHYHMHBLRGQG-AWEZNQCLSA-N 271.326 4.842 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2271782548 YHRRAYYDASBZOE-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CCC[C@]2(C1)CC2(F)F 2271784407 FMTZILDUCMYIOU-ILXRZTDVSA-N 271.395 4.666 30 10 CJEE C=C(C)CCCC[C@@]1(N)CC[C@H](C)c2ccccc21 2271790708 IUUIFTDKQSQEDS-MAUKXSAKSA-N 257.421 4.874 30 10 CJEE CCCCCCC[C@@](C)(O)c1cnc(C(C)(F)F)s1 2273627021 FTFXTNKCROPYJG-CYBMUJFWSA-N 291.407 4.823 30 10 CJEE CSCC1(CC2(C=O)CCC(C(C)C)CC2)CCC1 2273944494 QUFIXMIRPXQLCF-UHFFFAOYSA-N 282.493 4.941 30 10 CJEE C=CCCC[C@](C)(CCCCCCCC)OCCN 2276129667 VRMOMBICJNGQDI-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCCN)[C@@H](CC)CCC 2276226396 WLUOOZRMPOHIMV-DLBZAZTESA-N 269.473 4.683 30 10 CJEE C=CCC[C@H](C)[C@](CC)(C[C@H](C)CC)OCCCN 2276369933 HFBGWCUOLZQFPO-IKGGRYGDSA-N 269.473 4.539 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H](C)CC(C)(C)C)c1 2277799015 VJPMCBFVJLUHFR-CQSZACIVSA-N 253.389 4.695 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2nc(C(C)(F)F)cs2)CC1 2278601169 HWULSJVKZVNSCD-SECBINFHSA-N 285.359 4.574 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc2scnc2c1 2278622326 IWPQLPVBWKVXJN-CQSZACIVSA-N 274.433 4.693 30 10 CJEE N#C[C@H](c1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1F 2279753585 DNZSSLXQVMMVMT-RCCFBDPRSA-N 267.347 4.975 30 10 CJEE N#Cc1cccc(F)c1Nc1cccc2ccccc12 2280493853 JXJXJWSUHATIJX-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCCCCCCOc1sc(CNC2CC2)c(C)c1C 2280643543 LNQNHHPWBGHJQU-UHFFFAOYSA-N 295.492 4.966 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccncc1C(F)F 2287375212 MJJGKOGIGNQUEN-HNNXBMFYSA-N 282.378 4.806 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@](O)(CCC)C(C)(C)C 2287389017 YZXFDMCYELVAHS-AEFFLSMTSA-N 283.500 4.678 30 10 CJEE C#CC1(NC(=O)CCCCCCCCCCC)CCC1 2288226609 YVKFIPKKIZEVQC-UHFFFAOYSA-N 277.452 4.579 30 10 CJEE Cc1c(NCC[C@H](C)CCCC(C)C)ccnc1C#N 2288392343 HDRVNOLMZLRNOM-CQSZACIVSA-N 273.424 4.526 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Nc1cccc(C2CCCC2)c1 2289165292 DUGZYZWHIZJYNX-WMZOPIPTSA-N 268.404 4.838 30 10 CJEE CCCN[C@H]1[C@@H](C#CC2CCCCC2)CCCC1(C)C 2289713639 RYAQDNAHDOUIDG-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@H](CCC1(C)CC1)OCCC(=O)O 2291353169 XMQDXHQUYJDBND-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=CCCC[C@]1(OCCCN)CCCC12CCCCC2 2292736783 IYYHNUXQEVUHOL-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCCC12CCCCC2 2292893116 MWDCQEBBCXBLLH-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@](C)(F)C1)OCCN 2292893885 BOLOYYLASXTWSH-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1cnsc1C 2292995515 ZDWLOUGTQJGYLH-MRXNPFEDSA-N 298.496 4.609 30 10 CJEE C=CCC1(OCCCN)CCCCCCCCCCC1 2293060691 RGHBULJWRQHICW-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@H](C(C)C)CC1 2293299775 BMZAHIRKMQAUSU-ROUUACIJSA-N 281.484 4.683 30 10 CJEE CCCCCCCCCC1(OCCN)C[C@H]2CC[C@@H]2C1 2293458232 LKSFSLAOLMLXKV-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1cccc(C)c1 2294047320 GXWFEEFZGXIWTR-GOSISDBHSA-N 277.452 4.546 30 10 CJEE CCCC[C@@H](CC)CSC[C@@H](O)c1cccc(C#N)c1 2295795227 KNOCFWJTWCJORK-RHSMWYFYSA-N 291.460 4.541 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(OC(F)F)c1 2295958687 WIYPKDYSGLVXTK-DOMZBBRYSA-N 283.362 4.541 30 10 CJEE COc1cc(C)c(CCC(C)=CC=CC(C)=O)c(C)c1C 2297473327 ADLAXAQVHBFING-UHFFFAOYSA-N 286.415 4.645 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(CCC)s1 2304061600 GRMMJSIXYNJTAI-HUUCEWRRSA-N 251.439 4.693 30 10 CJEE C=C[C@](N)(c1cc(Cl)c(C(F)F)s1)C(C)(C)C 2304542344 WPVLHBCRNPINOO-LBPRGKRZSA-N 279.783 4.725 30 10 CJEE C=CCC(CC=C)SCCC[C@@H](CC)NCCC 2313652449 WVVHRNPXELRPDU-OAHLLOKOSA-N 269.498 4.799 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H](C)CCCC 2316738239 FYEAWFDIXXVIEL-WBVHZDCISA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@H](O)C1CCC(CCC)CC1 2316751269 BSBBOJNQLJKCKI-PREGVCBESA-N 250.426 4.722 30 10 CJEE CC1(C)CC[C@H](C[C@@]2(C#N)CCCC(F)(F)C2)C1 2319288612 JZKIZEAXXYBSAQ-JSGCOSHPSA-N 255.352 4.922 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC[C@H](C)CC1)NCC 2321099439 RYIUYRQXZQFJLG-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(F)ccc1Cl 2321134211 MJECXGGOANFJDS-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc(CSC)c1 2321144710 KAXJHDBEVYQZAK-INIZCTEOSA-N 262.418 4.725 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CCCC[C@H]1CC 2321146176 WQNZEEVINBFIQR-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(C)c1 2321227848 IBFFVIYIPLMUOL-HOTGVXAUSA-N 266.812 4.544 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H]2CC[C@H]1NC2 2322462008 XWIXCXPAJYGEDL-OAGGEKHMSA-N 255.421 4.607 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2334313049 FUZJKTWRQQQSBY-OEAJRASXSA-N 260.421 4.764 30 10 CJEE CCCCCCCN(C)Cc1cnc(C(C)(F)F)s1 2335679336 MJTVHUGHJZGGET-UHFFFAOYSA-N 290.423 4.657 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cc(F)ccc2C(F)F)C1 2338028153 RVPZCYCSYRPMMU-BONVTDFDSA-N 267.294 4.636 30 10 CJEE C=CCC(CC=C)[C@@H](N)C1CC(C)(C)CC(C)(C)C1 2338728422 UVDMDYKVYYSQFM-MRXNPFEDSA-N 263.469 4.935 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1ccccc1Cl)NCC 2338738362 LTDFGERCGRWKHF-QGZVFWFLSA-N 277.839 4.629 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cncc(Cl)c1 2338746147 CNFQBRLDHYPSRX-INIZCTEOSA-N 278.827 4.544 30 10 CJEE CC1(C)C[C@@H]1C#CC(=O)c1ccc(-c2cccs2)s1 2339554693 WVPFHGDCFMTUID-NSHDSACASA-N 286.421 4.709 30 10 CJEE CC1=C(C)C[C@H](COc2ccc(C#N)c(Cl)c2)CC1 2343446546 PYTPNTOURAGRQM-CYBMUJFWSA-N 275.779 4.727 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1=CC[C@H](C(C)(C)C)CC1 2344357043 OXILRMAHQCFRJN-XIRDDKMYSA-N 263.469 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]1(C)CC1(F)F)NCCC 2344380520 ZVWDDMAJEMRNOQ-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=C[C@]12C[C@H](CCN1CCCCCCCC1CC1)C2 2351689766 GRPYAOZLTKAQSX-HDICACEKSA-N 261.453 4.778 30 10 CJEE C=CCC(CC=C)SC1(C(=O)O)CC(CCCC)C1 2351989099 GFBLFYDZGIDVFV-UHFFFAOYSA-N 282.449 4.664 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC[C@@H](CC(C)C)C1 2352035117 DDAJPKHCWZPIAB-OFQRWUPVSA-N 284.465 4.744 30 10 CJEE CCC[C@@H](CS)COCc1cccc(C(F)(F)F)c1 2353122910 AMJUJEHIFCVRFW-GFCCVEGCSA-N 292.366 4.568 30 10 CJEE CSc1cc(N(C)c2ccc(Cl)cc2)ccc1C#N 2353838752 YFRZCIRVOAQUAY-UHFFFAOYSA-N 288.803 4.701 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)OCCN 2360110718 LAVOWHCPVVUWSC-XWTMOSNGSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)OCc1ccc(CN[C@@H](C)CC)s1 2360220194 RTGBORRXAVDUFQ-AWEZNQCLSA-N 293.476 4.674 30 10 CJEE Cc1ccc(F)c([C@H](O)CC=CC#CC(C)(C)C)c1Cl 2360713851 WAHJPZCPZKCMCQ-CQSZACIVSA-N 294.797 4.817 30 10 CJEE N#Cc1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl 37253368 BETNFRSONBTPDL-GUTXKFCHSA-N 288.822 4.982 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)C1CCCCC1 37282058 GGGGYRRUSNNEDY-NSHDSACASA-N 262.784 4.592 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1ccccc1O 37766181 NPRYRIAAALMXTM-ZDUSSCGKSA-N 285.412 4.843 30 10 CJEE N#CC[C@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 55017913 MSYXCYVZBMTDBB-HNNXBMFYSA-N 274.726 4.546 30 10 CJEE Cc1cccc(OCCC[C@@](C)(C#N)c2ccccc2)c1 57687455 FHDCMPQARWGNPD-IBGZPJMESA-N 279.383 4.636 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(F)cc1 59284943 CXMWDISZDSWSRE-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE C=C[C@@H](C)Oc1ccc2ccccc2c1CNC(C)(C)C 62732154 MYYIADHUJZTRDI-CQSZACIVSA-N 283.415 4.681 30 10 CJEE Cc1ccc(Cn2c(Cl)c(C#N)c3cc(F)ccc32)cc1 71465440 WYZCIJJUSZIIKU-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CC1(C)[C@@H](Nc2cc(Cl)ccc2C#N)[C@@]2(C)CC[C@@H]1C2 80141181 NGMQLBPUANSEFQ-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE N#CC1(c2ccccc2Cl)CC(c2ccccc2)C1 86559340 JGZVYBNAIXISRU-UHFFFAOYSA-N 267.759 4.679 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(F)c2F)C1 87972291 KZQDDLBKYWKXBB-WBMJQRKESA-N 263.331 4.617 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 88191275 YYNPLNGSXZNTCG-AAEUAGOBSA-N 296.336 4.958 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(C)c(C)c2)CC1 91883020 ICVJMRLXTNLVSO-CUYAVPTFSA-N 285.431 4.837 30 10 CJEE CCC(CC)(CS)CSCc1cccc(C)c1 94589547 PENXXWFRUQIXDN-UHFFFAOYSA-N 268.491 4.964 30 10 CJEE C=CCC[C@@H](Cc1ccc2ccccc2c1)NCCC 97220963 FHSXGJHWKKCTII-IBGZPJMESA-N 267.416 4.717 30 10 CJEE CCCCCCCCCCCCN[C@H](CC(C)C)C(=O)O 106506797 MUOFDZUWOSTPGX-QGZVFWFLSA-N 299.499 4.996 30 10 CJEE C#C[C@H](C)Cc1ccc(OCCC)c(C(C)(C)C)c1 107592470 FBSAANPDZFODRZ-AWEZNQCLSA-N 258.405 4.585 30 10 CJEE Cc1cccc(CC[C@@H](C)Nc2ccc(C#N)c(Cl)c2)c1 109772209 QFPHMJOANQLRIU-CQSZACIVSA-N 298.817 4.953 30 10 CJEE CCCCCCCC[C@H](CNC)Cc1ccc(F)cc1 110187121 CAYDLLPHRJBIED-KRWDZBQOSA-N 279.443 4.954 30 10 CJEE CCCCCCCCOCCN[C@@H]1CCC[C@@H](C)C1 110239644 LSJIEEOLFJGMIZ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(C)CC2)C1 110263938 XIFIGZXVHHULCA-BFYMFYIXSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1C(=O)OC 110916985 ISCYOOBEOKAJBR-KRWDZBQOSA-N 297.483 4.545 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OC(F)(F)F)c1 111849441 UGVUSFVHWOHKPW-AWEZNQCLSA-N 290.325 4.979 30 10 CJEE CCCCc1ccc(Oc2ccc(C#N)cc2)cc1 114851005 RYBLEDHARMKZQH-UHFFFAOYSA-N 251.329 4.693 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(C)oc1C 115063011 IERFBQARFZMVPK-MRXNPFEDSA-N 251.414 4.908 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(N)c1C 115854501 XSSDAVUTEFEKIB-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCC[C@@](C)(NCCC)C(F)(F)F 116905689 LNYFZJMPIXCXRP-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CC(C)CC1(CNc2cc(C#N)cc(Cl)n2)CCCC1 122863374 AAKYOQCDSSOEEK-UHFFFAOYSA-N 291.826 4.625 30 10 CJEE CC1(C)CCCC[C@H]1Nc1cc(C#N)ccc1Cl 125715950 MTOAFCSKILXJEA-CQSZACIVSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(F)ccc1N 126886371 CZCWBHJHRZTSAP-KRWDZBQOSA-N 281.415 4.972 30 10 CJEE C=CC[C@H](NCCC)c1cccc(Cl)c1Cl 128661771 ZPACXEDGUKPGJL-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE N#CCc1ccc(N[C@H]2CCc3sc(Cl)cc32)cc1 129551023 CFYDAGWYTMKNHB-ZDUSSCGKSA-N 288.803 4.567 30 10 CJEE CCCCCCCCCCCCN(C)CC[C@@H](C)N 135815960 DSSNWIYFMXHCFR-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CSc1cccc(N2CCCCc3ccccc32)c1C#N 136674577 WDDZRHLZBKKBDU-UHFFFAOYSA-N 294.423 4.755 30 10 CJEE CCSc1cccc(Sc2cccc(F)c2)c1C#N 136998701 NSVJGNLIRGZZPH-UHFFFAOYSA-N 289.400 4.961 30 10 CJEE CCCCCCCCn1ccc2c1CC(C)(C)C[C@H]2O 147326175 OWOCTRCXCLJNGH-QGZVFWFLSA-N 277.452 4.854 30 10 CJEE CCCCCCCCCCNc1nc(NC)ncc1Cl 157454931 BZRRVAOPFNNICI-UHFFFAOYSA-N 298.862 4.724 30 10 CJEE CCCCCCC[C@@H](N)[C@@H](OCC)C1CCCCC1 158517705 UDWMOFJBFLZQET-SJORKVTESA-N 269.473 4.660 30 10 CJEE CCCCc1ccc(NCc2ccc(C#N)cc2C)cc1 165198953 CPNHTGYYVGOPQJ-UHFFFAOYSA-N 278.399 4.821 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 185866182 NXJBBRAXEUTVMP-ZBFHGGJFSA-N 289.419 4.634 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(C#N)cc1F 227112985 BSVDRDFTZQQIFT-JDFRZJQESA-N 274.383 4.570 30 10 CJEE CCCCCCCCCCC[C@@H](COC(C)C)NC 228674424 YFBGHEOGVDNEJA-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)c1cc(Cl)sc1Cl 229915518 RZFPAPBOFHUHEY-BDAKNGLRSA-N 276.232 4.507 30 10 CJEE CC[C@H](C)c1ccc(OCC#Cc2ccccc2)cc1 232357750 PXZPKPPMLOMAGX-INIZCTEOSA-N 264.368 4.631 30 10 CJEE CC(C)(C#N)CCCCOCc1cccc(Cl)c1 232517313 SIHZTKHZSFABSF-UHFFFAOYSA-N 265.784 4.577 30 10 CJEE CCCCCCCCCCNCc1ccc(C(=O)O)s1 232950489 SLVWZAUECVUYMT-UHFFFAOYSA-N 297.464 4.677 30 10 CJEE C[C@@H]1C[C@H](Nc2ccc(C#N)cc2Cl)CC(C)(C)C1 235398614 FUSDKCCMDMBWHC-YPMHNXCESA-N 276.811 4.838 30 10 CJEE CCC[C@H](CS)CN(C)[C@H](C)c1ccc(Cl)cc1 251104656 FEZAQJGOLGRPPA-OLZOCXBDSA-N 285.884 4.679 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC1 253128690 NCPHNZBMBWHRTN-MJHDQNEOSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@H]1N([Si](C)(C)C)C(=O)[C@]1(C)CC 311457333 USYMHINTVQNCNI-GDBMZVCRSA-N 283.532 4.809 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)[C@H]1NC 311834132 MDXAZFJDLDPUOH-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCOC[C@H]1C 312343439 DKLBKTWFOPOQMJ-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CC(C)Cc1ccc([C@@]2(C)CCC[C@@H](CC#N)O2)cc1 312996142 YFGXUZSJERBMNT-ZWKOTPCHSA-N 271.404 4.583 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC1CCC(C)(C)CC1 317084008 AJIAZIQQIGMPOG-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE C#CCCC[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317778403 DNEOKVMOFJVYDL-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C)ns1 382240900 XXKMGSNNPMJUKA-CQSZACIVSA-N 268.470 4.853 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cc(Cl)ccc1F 384881109 QWEZOPKSFJTAHM-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1c(C)cc(C)cc1C 389120495 NECOEMMCRLFOIO-MRXNPFEDSA-N 259.437 4.865 30 10 CJEE N#CCc1c(C(F)F)ccc2scc(Cl)c12 396193030 RYTHBCSZIALMQD-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1ccc(C)c(SC[C@H](C#N)C2CCCC2)c1 397330312 JMCTUZKNIZYRBW-HNNXBMFYSA-N 259.418 4.726 30 10 CJEE CCCC(CS)(CCC)CN(C)CCCC1CC1 400769773 LTQLFRAMNIXFLW-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](C)CC(F)(F)F 402937334 MPPKZURDGKULQB-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(C#N)c(F)c1 404058906 HMDLNBHDQBDWMG-ZDUSSCGKSA-N 263.356 4.573 30 10 CJEE C=CC[C@@H]1N(C(=O)Nc2ccc(C)s2)CCCC1(C)C 436111932 ZPCRQSHACHOPIH-ZDUSSCGKSA-N 292.448 4.655 30 10 CJEE C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1CC=CCC1 505029880 QXYSYWIQGLAGIS-MRXNPFEDSA-N 298.430 4.625 30 10 CJEE C#CCCCCCOc1ccc(OC)cc1C(C)(C)C 686686267 SHHLNZVKBDILAF-UHFFFAOYSA-N 274.404 4.565 30 10 CJEE SCC1(CN2CCC[C@@H]2C2CCCCC2)CCCCC1 688813764 MVVCVTVXWSSNPA-QGZVFWFLSA-N 295.536 4.911 30 10 CJEE CCCCCCCC[C@@H](C[C@]1(C)CC1(F)F)NC 689122013 DLJVATLNGGIGQM-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)CC2CCCCC2)CC1 689816224 DIUQEUIVNUJDIR-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE CN(CC1CCC2(CC1)CC2)c1cccc(Cl)c1C#N 696189586 KMRSNRVJKPNSHQ-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnc(Cl)n1C 696441969 SGUNTCYZKVHQCQ-ZDUSSCGKSA-N 285.863 4.604 30 10 CJEE C=C1C[C@H]2CC(NCC[C@H]3CCC[C@H](C)C3)C[C@@H](C1)C2 697335039 ZLJKOVMMHBANDY-OTLGHNOOSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H]1CC1(F)F 701928246 IFAWNJONZPOSPC-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C(C)(C)C 704075966 LKKPTNJRPRDAJC-PMPSAXMXSA-N 268.489 4.641 30 10 CJEE CCC[C@H]1CCCN(c2cccc(SCC)c2C#N)C1 708535842 QVIZVMYQKXJKKP-AWEZNQCLSA-N 288.460 4.687 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@]12CCCC[C@@H]1C2 709095032 GHJMTOBFHRJYJE-WQVCFCJDSA-N 274.795 4.614 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C#N)COc2ccccc2C1 709236983 QGODOSSDMPGISI-KSSFIOAISA-N 271.404 4.594 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@@H](C)N 709334505 YQFPCBOCIYRVCF-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=CCC[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 712608656 NOYITAHWZUBZNN-LLVKDONJSA-N 277.717 4.586 30 10 CJEE CC1(C)CCC[C@H](/N=C2/NC3(CCCCCC3)CS2)C1 713217254 WORUTGHNZRVCHH-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CC(C)C1CC(Nc2ccc(C#N)c3ccccc23)C1 714666300 OANBLHGMUIUVGO-UHFFFAOYSA-N 264.372 4.558 30 10 CJEE C=CC[C@@H](C)[C@H](CCc1ccccc1C)NCCC 715793626 IBDCZTPXPZASSW-AEFFLSMTSA-N 259.437 4.508 30 10 CJEE CC#CCC[C@H](NCCC)c1cscc1C(F)F 717241872 LZOLLFHUUKWKDW-ZDUSSCGKSA-N 271.376 4.530 30 10 CJEE C[C@@H](COCc1ccccc1)CC(=O)C1=CCCCCC1 719183199 SWAOZDKCXIPLMU-MRXNPFEDSA-N 286.415 4.689 30 10 CJEE CCCCCCC[C@@H](NCC)C1(C)CC(F)(F)C1 720514477 UOFMPTNKGOSHMO-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H]2CCN[C@H]1C2 721807084 XNJSQQGSNNEQNR-BBWFWOEESA-N 251.458 4.905 30 10 CJEE N#CCc1cc2cc(OC(F)F)cc(C(F)F)c2s1 725293781 RLYQKYDJGDRMPZ-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C=CC[C@@H](N[C@@H](C)c1cc2c(s1)CCC2)c1ccncc1 766020581 QMVHBLWFCNOZNS-XJKSGUPXSA-N 298.455 4.600 30 10 CJEE CCO/N=C(\CC)c1ccc(-c2ccccc2)cc1 821219082 GHCVVSYRQKCMOH-ISLYRVAYSA-N 253.345 4.504 30 10 CJEE CCCCCCCCOc1nc2ccccc2nc1F 829232382 CNBFLJXOIGQHJX-UHFFFAOYSA-N 276.355 4.508 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(C)=C1CCC1 830898189 WKQTUUVWKRQBRG-UHFFFAOYSA-N 283.415 4.977 30 10 CJEE C=C[C@H](CC(=O)N(C)C1CCC(C)(C)CC1)c1ccccc1 1127004635 BTFYHVQCTNDOJI-MRXNPFEDSA-N 299.458 4.774 30 10 CJEE C=CCC[C@@H](CC)N[C@@H]1CCCc2c(F)cccc21 1182108828 GYBLJGCIKXUUIC-CXAGYDPISA-N 261.384 4.538 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1C[C@H]1c1cccc(OC)c1 1182369413 MNNXSYVKPOWJTH-SCTDSRPQSA-N 287.447 4.523 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@H]1c1ccccc1Cl 1205838697 BWUOHWRUUXGWCU-HOCLYGCPSA-N 277.839 4.778 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCC[C@@H]2CCC)CCCCC1 1264951854 YZUIXTIFSQKVPO-DLBZAZTESA-N 291.479 4.988 30 10 CJEE C=C[C@H](C(=O)N[C@H]1CCCC12CCCCC2)c1ccccc1 1300771026 XIEJDRXGHWFZHQ-ROUUACIJSA-N 297.442 4.575 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccccc2C)C[C@@H]1C 1307492255 ZRHUOHQDLMGAGW-RBUKOAKNSA-N 283.459 4.757 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1cc(Cl)ccc1Cl 1349345082 GGAGGAVNAQXTKD-CYBMUJFWSA-N 273.159 4.501 30 10 CJEE C=CCN(Cc1cccs1)C(=O)CC1CCCCCC1 1351046301 GFWURRLJHMVGDQ-UHFFFAOYSA-N 291.460 4.623 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(OC)c(C(C)(C)C)c1 1461392014 PABACTTUTYEKHQ-HNNXBMFYSA-N 289.463 4.827 30 10 CJEE C=C(C)c1cccc(NCc2ccc(SC)o2)c1 1461814009 VSHKMTBSEZZQEI-UHFFFAOYSA-N 259.374 4.647 30 10 CJEE C=CCC[C@H](CC)NCC(C)(C)c1ccc(C)cc1C 1462276937 IBABQWUDUQALQU-KRWDZBQOSA-N 273.464 4.915 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](C)c2ccc(F)cc2C)C1 1462568486 VQOFTYNDXAPGGF-IJEWVQPXSA-N 261.384 4.530 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C)(C)c2ccc(Cl)cc2)C1 1473949970 KJWMXUXUZIOXSP-WMLDXEAASA-N 291.866 4.952 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](CC=C)Cc1ccccc1 1474576342 MSUXYSLMZKEKOP-MSOLQXFVSA-N 257.421 4.508 30 10 CJEE C=C1CCC(C(=O)N2CCCC3(CCCCC3)CC2)CC1 1522311143 WNEBWIXIUPIVAG-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE C=CCCCN(CC)C(=O)C1CCC(CCCC)CC1 1537359042 BGMXPRVDRADLKN-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CCC)CC1CCCC1 1544422728 LTQMFZBPHQSTOD-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CC(C)(C)CNC(=O)C1(c2cccc(C)c2)CCCCC1 1544667989 DAXJBBJLDMTCAD-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCC(C)(C)C(=O)OCc1ccccc1C(C)(C)C 1545071268 MWDUWVFMFLVSRG-UHFFFAOYSA-N 274.404 4.630 30 10 CJEE C=CC1(CC(=O)N2CC[C@H](CC(C)(C)C)C2)CCCCC1 1584016329 WVSYQIDDECBDSF-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE C=CCC1(NC(=O)c2ccc(C(C)(C)C)cc2)CCCC1 1586371759 NBONJQZIUKWIJM-UHFFFAOYSA-N 285.431 4.603 30 10 CJEE C=CC[C@@H]1CCN1C(=O)CC1CCC(C(C)(C)CC)CC1 1603352914 IRNHYTXMDFFASI-OFLPRAFFSA-N 291.479 4.796 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccccc1F 1615223561 SSWMNIMRFOJYKO-OAHLLOKOSA-N 299.389 4.584 30 10 CJEE C=C(C)CCC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1617200218 MQEJLVSNVGNZEF-CYBMUJFWSA-N 271.404 4.766 30 10 CJEE C/C(=C\c1ccc(Cl)cc1)CNc1cccc(CC#N)c1 1620939649 QCNJRLVLPMHEGD-SDNWHVSQSA-N 296.801 4.921 30 10 CJEE C=CCCC[C@@H](NCc1cc(C)nc(C)c1)c1ccccc1 1621048356 FWKZDOZBJRNLKQ-HXUWFJFHSA-N 294.442 4.886 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(-c2ccccc2)cn1 1621340820 WLMJJWFMOMIMLJ-HNNXBMFYSA-N 280.415 4.611 30 10 CJEE C#CCCCCCCN(C)[C@H]1CCC[C@H]1C(C)(C)C 1643481122 HDRGAZOXSCKZOS-SJORKVTESA-N 263.469 4.717 30 10 CJEE C=CCCC[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccccc1 1651483876 FNXRXORWAPWFAP-RBUKOAKNSA-N 299.458 4.775 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(-c3nccs3)c2)C1 1651997272 IUFDSDIDAGDXRW-BBRMVZONSA-N 284.428 4.967 30 10 CJEE C=CCCCCN[C@@H](c1cccc(F)c1)C(C)(C)C 1653881033 QVVYRBCUOLVDHH-INIZCTEOSA-N 263.400 4.859 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1658273830 UKMPSCJBPFEYCP-HVMFNXBNSA-N 275.480 4.927 30 10 CJEE C=CC[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C1 1658628483 UOIDADJTDLGYQY-GOSISDBHSA-N 291.438 4.717 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C(=C)C)c2ccc(F)c(F)c2)C1 1659488788 AADRZCZELHMWBW-DDUZABMNSA-N 291.385 4.916 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1c2cc(C)ccc2C[C@H]1C 1660272583 QIAPMRYTDZVJRW-MDZRGWNJSA-N 271.448 4.953 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cscc1Cl 1664505387 XUORXOBOPVYQMF-UHFFFAOYSA-N 286.828 4.515 30 10 CJEE C=CCCCCCCCN[C@@H]1CCC[C@H](C)[C@@H]1C 1664931005 HAHGQLWMUVUITF-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 1674277270 CTUPMBDJZYWGDV-YESZJQIVSA-N 294.483 4.637 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2CCC(C)(C)CC2)c1 1681066767 DEAKEMLDAWEFLJ-UHFFFAOYSA-N 286.419 4.810 30 10 CJEE C/C(=N\OCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 1857936427 LNGKFDHXPFGVRC-LTGZKZEYSA-N 293.410 4.815 30 10 CJEE O=C(Cc1ccc(Cl)cc1)ON=C1CCCCCCC1 1860820750 IBAZJAAXRUMJBU-UHFFFAOYSA-N 293.794 4.526 30 10 CJEE C=CCn1c(C23CC4CC(CC(C4)C2)C3)nc2ccccc21 1873513586 KFDQIONHLACAPJ-UHFFFAOYSA-N 292.426 4.690 30 10 CJEE CCCCCCCCCCN(C)Cc1ncoc1C 1883859163 VQNNDJZVCGZZKB-UHFFFAOYSA-N 266.429 4.556 30 10 CJEE C=C1CCC(CN(C)CC2(C(C)(C)C)CCC2)CC1 1884407447 NKISHTBDAIBUCQ-UHFFFAOYSA-N 263.469 4.881 30 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4.837 30 10 CJEE O=C[C@@H](c1ccccc1Oc1ccccc1)C1CCC1 1951702776 YORMGJUVSBVXAN-QGZVFWFLSA-N 266.340 4.562 30 10 CJEE CCCCCCCCCC[C@](C)(N)C(=O)OC(C)(C)C 1951704644 GADSSKJCTNYENH-KRWDZBQOSA-N 285.472 4.576 30 10 CJEE C=CC[C@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 1955215923 XZLCCTRQHNVWNS-ZDUSSCGKSA-N 290.407 4.719 30 10 CJEE CCCCCCCN1CC[C@@H]2CCCCC[C@@H]2C1 1966595809 HETCAJJCDUUIMW-DLBZAZTESA-N 251.458 4.859 30 10 CJEE CC1(C)OB([C@H]2C[C@@H]2c2ccccc2C2CC2)OC1(C)C 1975303851 NKZWQTJBYLXQFV-CVEARBPZSA-N 284.208 4.514 30 10 CJEE C=CCC(C)(C)OCc1ccc(C)c(Br)c1 1987412041 BWVXDKCMPYZKTA-UHFFFAOYSA-N 283.209 4.629 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H](C)CC(F)(F)F 2000482359 BUMYEMCPHWOWND-VXGBXAGGSA-N 252.320 4.751 30 10 CJEE C=CC1(CNc2ccc(Cl)c(Cl)c2F)CCC1 2021017682 GNEYGSTVAJQTLU-UHFFFAOYSA-N 274.166 4.901 30 10 CJEE CCCCC#CCC(=O)c1cc(Br)ccc1C 2024413942 SNVWXDIBIYPUIN-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CCCCCCC[C@@H](O)c1sccc1OCC 2025971546 GTLUWSSHKAUPAL-GFCCVEGCSA-N 256.411 4.541 30 10 CJEE 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NHVYSKTUVSVWBA-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE N#C[C@@H](CNc1cccc2ccccc12)c1ccccc1 80748369 YDXPWRNTYUYELO-KRWDZBQOSA-N 272.351 4.559 30 10 CJEE N#CC1(Cc2c(Cl)cccc2Cl)CCCC1 83775680 AJCHCXHTILGCRJ-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE CC(C)(C)c1ccc(SC/C=C/CS)cc1 87096661 UJQHYZRHJWZFSM-SNAWJCMRSA-N 252.448 4.562 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@@H](CC)CS 94583214 BXUNQXCKEGKCJT-QWHCGFSZSA-N 252.423 4.535 30 10 CJEE CC(C)(C)[C@H](CS)CSc1ccc(F)cc1F 94588924 OCNOVAVSAWLTRY-SECBINFHSA-N 276.417 4.649 30 10 CJEE CC(C)COc1ccc(CCCC#N)cc1C(C)C 107594058 OXVIAHNJZMYEBV-UHFFFAOYSA-N 259.393 4.691 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(C)c(F)c1 109726006 WLSWCSDOBADYLO-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NC 110084019 HQFIYTOSORDUMY-OKZBNKHCSA-N 283.500 4.776 30 10 CJEE CCCCCCCCC[C@@H](CNCCOC)C(C)C 110213255 NIUDEICTJAOCAB-KRWDZBQOSA-N 271.489 4.635 30 10 CJEE CCCCCCCCC[C@@H](CN)Cc1ccc(OC)cc1 110464854 BBZWUPGJVKIXNP-GOSISDBHSA-N 291.479 4.953 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cccc(C)n1 110474718 BOVDUPMAFSCTHO-MRXNPFEDSA-N 262.441 4.921 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C[C@@H](C)C(C)(C)C)cc1C 111650649 GLMOPJNNIKAMIZ-GDBMZVCRSA-N 271.404 4.552 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(OCC)c1 112884929 SVEULCJPMNWBGV-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NCC12CCCC2 114059508 YLHCQNCWUSIVDU-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NCC[C@@H]1C 114079271 CWFANJIYCZPHLO-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](C#N)C(C)C 115857571 RFQAEDGTEMYPHK-INIZCTEOSA-N 280.456 4.572 30 10 CJEE CCCCCCCOc1cc(Cl)c(Cl)cc1N 122234777 RJASSXXCCRBGOX-UHFFFAOYSA-N 276.207 4.925 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CCC(F)(F)CC1 122240373 NERUJDATWYROEY-OAHLLOKOSA-N 290.442 4.785 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc2c(c1)CCC2 123609185 NGWUMPOLXBAVTE-LJQANCHMSA-N 274.448 4.829 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1c(F)cc(F)cc1Cl 124310684 HJVYZBADVJNNRO-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCCNc1nc(CC)ns1 124877305 RZFBBKPILUSQST-UHFFFAOYSA-N 269.458 4.653 30 10 CJEE CCCCCCC[C@H](NN)c1ccccc1C1CCC1 125204340 ZHSYSGYZYJJLPZ-SFHVURJKSA-N 274.452 4.819 30 10 CJEE CCCCCCCCCN(C)c1ccccc1C#N 125686266 SWKSGTHQPZSDFQ-UHFFFAOYSA-N 258.409 4.745 30 10 CJEE CCCCCCCC[C@H](NN)C1(OCC)CCC(C)CC1 131041042 LWBXBLDNAFNQIB-ADKAHSJRSA-N 298.515 4.554 30 10 CJEE CCCCCCC[C@@H](O)c1c(Cl)cnn1C(C)C 132194231 NXCZCAUIWYATPP-CYBMUJFWSA-N 272.820 4.511 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(C(F)F)c2)C1 132328382 VBDXPTWTKAOZLL-VMGRFDJRSA-N 293.357 4.768 30 10 CJEE CCSc1cccc(NC2(C)CCCCC2)c1C#N 136653106 RSNFELJGFTZTRA-UHFFFAOYSA-N 274.433 4.805 30 10 CJEE CCCCCCC[C@H](COc1cccc(Cl)c1)NC 139544754 LVLDDHJITSINRY-OAHLLOKOSA-N 283.843 4.667 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 156227423 LVBWRPWNQXFPCV-JYJNAYRXSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)c(OC)c1 158945283 DJIXBCBOANYRKY-HNNXBMFYSA-N 267.388 4.585 30 10 CJEE C[C@@H](NCc1ccc(C#N)s1)c1ccc2ccccc2c1 176941133 DPIGPBFILATSCY-CYBMUJFWSA-N 292.407 4.624 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)ccc1OCC 228824674 HLPYTGNIQVVLPF-NSHDSACASA-N 253.773 4.505 30 10 CJEE CCCCCCCC[C@H](CCC(C)(C)OC)NC 231015359 ISEVGUVDUXKESL-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CC(C)CC1(CNCCCCC(C)(C)C#N)CCCC1 232559249 MFPYJWLBALGJHJ-UHFFFAOYSA-N 278.484 4.903 30 10 CJEE CCCCCCC[C@@H](NC)c1ccoc1Br 232950866 KHUYSPVEDXBLEQ-GFCCVEGCSA-N 288.229 4.663 30 10 CJEE Cc1cccc(COc2c(Cl)cc(C#N)cc2Cl)c1 247924380 OTPBEGBJTJMWRV-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CC(C)n1cc(CCC#N)c2cccc(C(F)(F)F)c21 260490291 VLHDYJFTSDDWDG-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)c(F)c1 307943973 GGZRNPBZHGZWAH-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 308055236 MRUISKNUBQKAOI-WFASDCNBSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCNCC1(CC)CCOCC1 311727043 YHODHQQKYVASAR-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE N#Cc1ccc(Sc2ccc3ccccc3n2)cc1Cl 312663327 MPOVBRIVXGLYPU-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(F)cc1Cl 313408888 JYEPYJWZHJTAJH-NSHDSACASA-N 288.753 4.718 30 10 CJEE CCC1CCC(C=O)([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 316624316 BMHCTVDFLXAZDC-QSFKDOLUSA-N 250.426 4.844 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(C)c(C)c2)C1 316931423 YHHQMYAUMLAYQP-WMZOPIPTSA-N 258.405 4.631 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccccc2Cl)C1 317365699 VICNQELKWQRZIL-BBRMVZONSA-N 264.796 4.668 30 10 CJEE C=CCCCCCCNc1ccc(Cl)cc1C(=O)O 382204910 NBEIUZZYOQBRPI-UHFFFAOYSA-N 281.783 4.587 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)c2sccc2Cl)CC1 394086607 NEQMIPWBMYGUGA-WPBUFGDCSA-N 297.851 4.791 30 10 CJEE COc1ccc(Cl)cc1C[C@@]1(C#N)CCCC[C@@H]1C 394979259 VKCVSFMFLCBYTL-BLLLJJGKSA-N 277.795 4.611 30 10 CJEE CSc1ccc(NC[C@H](C#N)C2CCCCC2)cc1 397158378 SRCNEHOLXBDHKD-AWEZNQCLSA-N 274.433 4.540 30 10 CJEE N#C[C@@H](CSc1ccc(Cl)cc1)C1CCCC1 397393406 YWURUTLMDIGYCF-LBPRGKRZSA-N 265.809 4.762 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 402563411 KQHXZLLIVXLPEA-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=C(C)C[C@@H](C)c1nc(C2(OCCC)CCCCC2)no1 515556304 FXAMAZINNORKGQ-CQSZACIVSA-N 292.423 4.725 30 10 CJEE CSc1cccc(CNc2ccc(Cl)cc2C#N)c1 686946502 XBRUXTJNKCWCHF-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCN(CCCCCCCCCS)Cc1ccoc1 688596253 BPKDQUARSCFBAV-UHFFFAOYSA-N 283.481 4.762 30 10 CJEE C=CCC1(Nc2ccc(Cl)cc2C#N)CCCC1 690779316 BPLHGOSXEIKUEA-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE C=CCC1(N[C@H](c2ccccc2)C(F)(F)F)CCCC1 690816104 WINOKIUIITYWJA-CQSZACIVSA-N 283.337 4.769 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)nc(CCC)n1 692244504 XEORJAAXJVPIAC-QWHCGFSZSA-N 293.842 4.629 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)CCOC1(C)C 693321999 CEHYXMBPICSSDD-GOSISDBHSA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@H](CCC=C(C)C)NN 697792149 ZWNYUCYWKJPFGP-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)c(F)c1 701865767 WNZQYKSFUOVYRM-LLVKDONJSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(OC)c1 703643786 UKLTUWYXJSOVIF-ZBFHGGJFSA-N 293.838 4.573 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cccc(F)c1F 703996965 ZANCNNVBSJKYTL-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE N#CC1(CC2(c3ccccc3)CC2)CCCCCC1 704038382 CNWIXSWBNGQHOY-UHFFFAOYSA-N 253.389 4.972 30 10 CJEE CCC(F)(F)CC1(C=O)CCC(C(C)(C)C)CC1 704744117 PEZCOQFOTRPJCJ-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1COC[C@H]1C 705259896 VQEZAPOOYBAWQS-SQNIBIBYSA-N 284.484 4.941 30 10 CJEE C[C@@H]1C[C@H](/N=C2/N[C@@H](CC(C)(C)C)CS2)CC(C)(C)C1 708294676 QWBIBLFWWOFRHE-RDBSUJKOSA-N 296.524 4.698 30 10 CJEE CC(C)CCCCC[C@@]1(C#N)OCCc2ccccc21 710272642 BFJBLBNMBPRGAW-SFHVURJKSA-N 271.404 4.585 30 10 CJEE C=C(Cl)Cc1cccc(Cl)c1C(F)(F)F 710620648 YTFYSWSJDBRGHT-UHFFFAOYSA-N 255.066 4.654 30 10 CJEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCC1 712295407 RTHVXKIWPDNCRB-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE CCCCCCCCC[C@H](O)c1scnc1Cl 712882155 ONDVPQYLMPWXGM-NSHDSACASA-N 275.845 4.971 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(OC(F)F)c1 715706563 SPTZUQMPVLCECY-DOMZBBRYSA-N 283.362 4.541 30 10 CJEE C=CC[C@H](C)Cc1cc(Br)ccc1C 715811788 DSMCJMWOSOIHPY-JTQLQIEISA-N 253.183 4.512 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H](C)CO1 718514277 XPIQRLSZJIEELJ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@](O)(CC)CC2CCCCC2)C1 720399025 KQTMOABEHIMHLY-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE CO[C@H]1C[C@@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)C1 721157722 RARXSMHRMMEMOF-OKILXGFUSA-N 263.425 4.548 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 724589058 NZFIBUHNINMSPV-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2CC2(F)F)NCCC)CC1 724601065 UYBZAHXEIRUXBY-CABCVRRESA-N 271.395 4.536 30 10 CJEE Cc1cc(C)c(Sc2ccccc2C#N)c(C)c1 725427806 DHVREDWDUWBRCG-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE C#CCCCCCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 1167706720 ZIOJARGAWOGUTA-LEWJYISDSA-N 295.470 4.971 30 10 CJEE C[C@@H](CCC#N)N[C@H](C)c1ccc(Cl)c2ccccc12 1169604164 IBDJRCRAKRIFLT-QWHCGFSZSA-N 286.806 4.836 30 10 CJEE Cc1cc([C@@H](C)NCCC2(C#N)CCCCC2)ccc1F 1170527181 DZGRVJLEUGGEDY-OAHLLOKOSA-N 288.410 4.649 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(CC#N)cc1 1180708543 WUWFHMIQYAIJLH-HNNXBMFYSA-N 256.393 4.690 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](CC)CC(C)C)c1 1289567378 XUQGEMSIAHGEBH-AWEZNQCLSA-N 259.393 4.731 30 10 CJEE Cc1cc(CNC2CC(C)(C)CC(C)(C)C2)ccc1C#N 1308348637 GETRHOSBTBFYHO-UHFFFAOYSA-N 284.447 4.561 30 10 CJEE C=CCC1(NC[C@@H](C)CCc2ccccc2)CCCC1 1308466465 NBYFLLJPBVJKAN-KRWDZBQOSA-N 271.448 4.734 30 10 CJEE CC#CCCCC(=O)Nc1cccc(Oc2ccccc2)c1 1350025655 URSRSVGBXIHQSJ-UHFFFAOYSA-N 293.366 4.611 30 10 CJEE C=C1CCC(C(=O)N(CC)[C@@H](CC)Cc2ccccc2)CC1 1355965886 YFMOAXNQTIQNEX-IBGZPJMESA-N 299.458 4.603 30 10 CJEE C=CCCN(C)C(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1435917574 NUYHJJDYWXIODU-MSOLQXFVSA-N 299.458 4.631 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H]2CCC=CCCC2)C(C)C)c1 1455951606 XZSNZQDLFQJHDZ-SFHVURJKSA-N 295.426 4.546 30 10 CJEE Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1cccc(F)c1C#N 1458106520 GAHXAHGMTIVFMP-MRXNPFEDSA-N 298.361 4.724 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@H](CC)C1 1470383677 YGYQEMUOFXYDEG-KRWDZBQOSA-N 294.483 4.735 30 10 CJEE C=CCC1(CNCc2ccc(F)c(Cl)c2)CCCC1 1474145865 XXWQPOLGWJDIQR-UHFFFAOYSA-N 281.802 4.705 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OC)c(OC(C)C)c2)C1 1474419113 SIKSLUBAWUSNBT-CABCVRRESA-N 289.419 4.639 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(F)cc2C)CCCCC1 1475896548 VPNDAEJFWDOPKC-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=CCCCCCCNC(=O)NCC[C@H]1CCCC[C@H]1C 1477896794 DPDQJZVRYKWXIO-IAGOWNOFSA-N 294.483 4.639 30 10 CJEE C=CCC(CC=C)C(=O)N1c2ccccc2CC[C@H]1CCC 1517350916 PWEJVRWPKRJXNM-GOSISDBHSA-N 297.442 4.903 30 10 CJEE CC#CCCCC(=O)OCc1ccc(C2CCCCC2)cc1 1517866186 JXZAQNHYYVPYSG-UHFFFAOYSA-N 298.426 4.971 30 10 CJEE C=CCCCC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1527896328 DWIKFCPVRHCJHF-QGZVFWFLSA-N 273.420 4.555 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(C)(C)C)c1 1528527563 KTEKNAIFOWBAMF-CRAIPNDOSA-N 299.458 4.849 30 10 CJEE C=CC[C@@H](Sc1ccc(-c2ccccc2)cc1)C(=O)OC 1559361058 LXNOLWHZKQGXKQ-QGZVFWFLSA-N 298.407 4.563 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCSC1 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C=CCCC[C@@H](NC(=O)N(CC)C(C)C)c1ccccc1 1663909741 IODGXJBGWJRFSD-QGZVFWFLSA-N 288.435 4.524 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)Cc1cccc(C)c1 1664987456 MBOHFZGBVJKFRQ-NQIIRXRSSA-N 293.454 4.703 30 10 CJEE C/C(=N\OCc1ccccc1Cl)c1cc(F)ccc1F 1857938475 YSIMOGWOYKEWAH-VXLYETTFSA-N 295.716 4.559 30 10 CJEE CCCCCCCCCN1C[C@@H]2CC[C@H](C1)C2(F)F 1883428568 UKVXCBNMFPVYMF-GASCZTMLSA-N 273.411 4.714 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](OCC)C1 1883858917 SYYUMHIDIALDQR-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE CC#CCCCC[C@H]1C[C@@H](NCC)CC2(CCC2)C1 1885239200 YLZJSVQIDLAFNU-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc(Cl)ccc1C 1885265575 RSCONPQPASLTOR-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE C#CC[C@H](C)CNC1CCCCCCCCCCC1 1887373456 RSJQKBBGYSIVLO-KRWDZBQOSA-N 263.469 4.909 30 10 CJEE C#CC[C@H](C)CC(=O)c1cc(C(F)(F)F)ccc1Cl 1887387733 SHCITPCGHCFFKQ-VIFPVBQESA-N 288.696 4.591 30 10 CJEE C#CC[C@H](C[C@H](NCC)c1cc(Cl)sc1C)C1CC1 1887477068 XSZKCBZNHAOQMY-HIFRSBDPSA-N 295.879 4.800 30 10 CJEE 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270.416 4.532 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1[C@H](C)CCN[C@@H]1C 2200624833 KXCKQVULYIVSNL-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@@H]2CCCC[C@@H]21 2201123689 QDHZHPRIOWBUMW-BQFCYCMXSA-N 268.404 4.660 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(Cl)ccc1OC 2203786443 FLLUKADWXDFRLF-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE C#C[C@@H](NC1CCC2(CCCCC2)CC1)C1CCCC1 2204046471 GJXIHYNYSPBNOD-GOSISDBHSA-N 273.464 4.661 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cc(C)ncn1 2206534454 FLKZRKDRSIDKMX-INIZCTEOSA-N 277.456 4.706 30 10 CJEE C=CCCCCCCCCCN(CC)[C@@H]1CCCOC1 2207385572 PHVMUVUYHIIXLR-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCC[C@@H](O)CN1CCCC1 2207404788 VCGAQXZZDXGFSG-GOSISDBHSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CNC(C)(C)C1 2207408225 HQGBVYYOXUNTSN-MRXNPFEDSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@H](O)C(C)(C)C 2207409622 NSEFQUFSTXTESV-SJORKVTESA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2207416942 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259.384 4.514 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1ncccc1Cl 2227270335 FLXHYTQTEGGGGI-INIZCTEOSA-N 280.843 4.826 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2227270904 HQDHKIFHSNJVPT-GCDKYVQMSA-N 260.421 4.764 30 10 CJEE CCCCCCCCCCOC[C@@H](N)C[C@H](C)CC 2231027460 WGSXXLGEBKDDSD-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@H](C)CNCC 2231028009 OKXFKZZQNJGFHS-SJORKVTESA-N 271.489 4.778 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(C3CC3)cc2)C1 2231597128 YWZQLFYDBQSISJ-RDTXWAMCSA-N 256.389 4.502 30 10 CJEE C=CCCCCCCC[C@H](O)C(C)(C)[C@@H]1CCCCO1 2235523490 GLKLUFRHLLHCNI-IRXDYDNUSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@]1(CNCCC)CO[C@@H](C)C1 2235525265 ADPRGOVVLSLMDQ-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC(=O)c1cc(Cl)cnc1OC 2235533809 CZDVWCKYXPTFMO-UHFFFAOYSA-N 295.810 4.843 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1csc(C)c1C 2235534899 KLSQBLHQJYSJKV-KRWDZBQOSA-N 294.460 4.884 30 10 CJEE Cc1sc([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)c(C)c1C 2236832231 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297.430 4.531 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@H](C)CC 2278245776 WRBFZVWIXHYVOK-ZACQAIPSSA-N 271.489 4.642 30 10 CJEE Cc1cc(N[C@H](C)C(C(C)C)C(C)C)cc(C)c1C#N 2280567456 QUINVWMGBNPWIJ-OAHLLOKOSA-N 272.436 4.904 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H](O)c1csc(C2CC2)c1 2283057215 SYLLUBYIQLEDSL-KRWDZBQOSA-N 290.428 4.509 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C[C@@H]1CCCC12CC2 2284169236 JELWLBNUBUTFCE-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cnc(C)n1C(F)F 2284784926 OTASBXNUWMBXPA-OAHLLOKOSA-N 287.398 4.511 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)[C@@H](CC)CCC 2287664244 TUKAEEUVWHYUSY-OKZBNKHCSA-N 285.516 4.902 30 10 CJEE CCC[C@H](CC)[C@H](O)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2287715232 APWCQTOKDUJOQK-IMJJTQAJSA-N 280.452 4.515 30 10 CJEE C=CCO[C@@H]1CCCN(CC[C@@H](C)CCCC(C)C)C1 2287962860 GQLDDHCUISPPDB-ZWKOTPCHSA-N 281.484 4.506 30 10 CJEE C#CC1(NCC2CCCCCCC2)CC2(CCCC2)C1 2288213526 QACXFUCCNFTTMS-UHFFFAOYSA-N 273.464 4.663 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(CCC)cnn1 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CCCCCCCO[C@]1(CNCCC)CCC[C@@H](C)C1 110067910 XFNCPQUQALFBDE-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 110252122 NWEUCZJSYMVUTP-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCc1ccc(N(C)c2cc(Cl)ccc2C#N)cc1 110257443 FHSDEDFRXBLAPV-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE CCCCCCC[C@H](NC1CCCCCC1)C(=O)OCC 110321457 AOEQNKFYKSKNMP-KRWDZBQOSA-N 297.483 4.591 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(F)cc1Cl 110446441 CVHWWBQKVQKAEA-CQSZACIVSA-N 258.764 4.873 30 10 CJEE CCCCCCCCC[C@H](CN)Cc1ccccc1OC 110520702 IRAPPNNNIGBYOZ-KRWDZBQOSA-N 291.479 4.953 30 10 CJEE CCCCCCCCOc1c(C)cc(C[C@@H](C)N)cc1C 111818203 CASMYABLIHRJPO-QGZVFWFLSA-N 291.479 4.932 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)c(C)c1 112892880 VQPWEXQBWYZNBV-INIZCTEOSA-N 251.389 4.885 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@@]1(C)C1CC1 115242213 ZAOJPIPNESOTHV-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@](C)(CC)N(C)C 118154311 NJSDIODTNXXNEG-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@H](CCC(F)(F)F)NC 122545341 KIZQFXIUFSDECE-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCC(=O)c1ccc(Br)o1 123498026 CTPCMTPSPYTJJW-UHFFFAOYSA-N 287.197 4.975 30 10 CJEE C[C@@H](CC#N)Sc1ccccc1NCCc1ccccc1 123609583 FNKZDFCOXSMDKO-HNNXBMFYSA-N 296.439 4.735 30 10 CJEE CCCCCCCCCCN[C@@H]1CCO[C@@H](CC)C1 124772686 DSYKVQFWBCDLLA-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCC[C@]1(F)CCNC1 126757823 HJNQUXOOTCTLMZ-INIZCTEOSA-N 257.437 4.999 30 10 CJEE N#Cc1cc(N[C@@H]2CCc3sc(Cl)cc32)ccc1F 129640212 GCOYQGFNRUCOEN-GFCCVEGCSA-N 292.766 4.512 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C#N)cc1OC 129913698 ZIIVFNOFKQHGDK-CQSZACIVSA-N 274.408 4.728 30 10 CJEE C=C(C)C[C@@H](NCC)c1cccc(Cl)c1Cl 130923808 XFVHBFCDSVSODH-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE Cc1cc(C)cc([C@@H](C)Nc2cc(C#N)ccc2C)c1 132593307 FTONLSNVTCECBN-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CCCCCCCC[C@@H](O)C1CCC(F)(F)CC1 135383111 MZZWASGYWOCADZ-CQSZACIVSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@H](NCC)C1[C@H]2CCCC[C@H]12 158014623 FIXZEWOPJZTVSD-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE CCCCCC[C@@H](C)OCc1ccc(C#N)cc1C 165548862 RSUHZWBCCMNQLR-OAHLLOKOSA-N 259.393 4.742 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C1CC1 167358146 VMFNIVNEPJUYOB-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE C=C(C)C/C=C(\C(C)(C)OC[C@@H]1CO1)[Si](C)(CC)CC 195811119 SYJCSQKEINIMCF-KFXIKWRMSA-N 296.527 4.731 30 10 CJEE Cc1cc(C#N)ccc1Nc1c(Cl)cccc1Cl 203519716 AGVJNYGJWCHCQK-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1cc(C#N)ccc1Oc1cc(Cl)ccc1C 203617450 KREPOHGMGBCGKL-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)c(OC)c(C)c1 213597535 BRJPKYNMWGITNH-QGZVFWFLSA-N 277.452 4.933 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCC[C@H]2C(C)C)cc1 214712594 QIYOFALELXNYQE-IRXDYDNUSA-N 256.393 4.516 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H]2CCC[C@@H](C)C2)C1 217941188 WKOQXPNCVHYZII-UYTYNIKBSA-N 276.468 4.605 30 10 CJEE C=CCC[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229384215 GOJUVBFUUKLLAV-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccn(C2CCCC2)n1 229535169 DSVINZMYQDWYBO-INIZCTEOSA-N 291.483 4.619 30 10 CJEE CCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232934201 ITFSDQODGFBVNT-SCRDCRAPSA-N 274.495 4.542 30 10 CJEE C=CCCCCC[C@H](NCCC)c1sc(C)nc1C 233124947 JIQQQBBYPLNZJR-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE N#Cc1cc(F)c(SCc2ccccc2Cl)c(F)c1 236153122 IQEYWSRHRCPAFP-UHFFFAOYSA-N 295.741 4.782 30 10 CJEE CCCCCCCCC[C@@]1(C(=O)O)C[C@@H]2C[C@@H]2C1 250828759 PFZDNZHAIVEXCC-FOLVSLTJSA-N 252.398 4.628 30 10 CJEE Cc1ccc(C(C)C)c(Oc2ccc(C=NO)cc2)c1 250988229 VRGDIIPUVKWNMK-UHFFFAOYSA-N 269.344 4.719 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1NC 252716712 AAMWBYMDPLNQER-ATZDWAIDSA-N 289.463 4.810 30 10 CJEE COc1ccc2ccccc2c1C=Nc1ccc(F)cc1 254500883 KLWMCJPNSGMZGP-UHFFFAOYSA-N 279.314 4.738 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1[C@H](C#N)c1cc[nH]c1 259307879 XEWUJSQCUCNVFO-MRXNPFEDSA-N 266.388 4.585 30 10 CJEE CC(C)c1cc(CCCC#N)cc(Br)c1F 260160228 FPVGZJOHUOYTHT-UHFFFAOYSA-N 284.172 4.558 30 10 CJEE C=CCSc1ccc(C(=O)CC)c(OCC(C)C)c1 260863600 CXMVBGLYYBZBCM-UHFFFAOYSA-N 278.417 4.592 30 10 CJEE CC(C)(C)CCCOC[C@@H](CS)c1ccccc1 310998066 USAYRCBHFNJAEI-HNNXBMFYSA-N 266.450 4.543 30 10 CJEE CC(C)(C)C(C)(C)CNc1cccc(Cl)c1C#N 311172747 RTJCJBKTPDTUOF-UHFFFAOYSA-N 264.800 4.696 30 10 CJEE CCCCCCCCC[C@H](Cc1csnn1)NCCC 312648459 SYAJXAPVCMUQHV-OAHLLOKOSA-N 297.512 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2C[C@@H](CC)CC[C@H]2C)C1 312949896 PPWHOJVFDSVBOE-ILOCAZANSA-N 276.468 4.605 30 10 CJEE CCC[C@@H](Nc1cc(C#N)ccc1Cl)C1CCCC1 313378836 ALWDCFINQVHMHR-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CC(C)(C)CCCNc1ccc(C#N)c2ccccc12 313475667 UWQSHIKQZGNMHC-UHFFFAOYSA-N 266.388 4.950 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(Br)cc1 319627766 ANRJXCRBOPLEGP-WDMOLILDSA-N 280.209 4.738 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)c1c(Cl)cccc1Cl 319938886 SFMBALFJAMKKDP-UWVGGRQHSA-N 256.176 4.893 30 10 CJEE Fc1ccc(-c2nc(CCS)cs2)c2ccccc12 382349830 FVPWBONYPBEMNK-UHFFFAOYSA-N 289.400 4.575 30 10 CJEE Cc1ccc(N[C@H](C#N)C2CCC(C)(C)CC2)cc1 382467868 ARCQRAPHCLGGSE-MRXNPFEDSA-N 256.393 4.516 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCCC[C@H]1C 384492189 LVNKIEIWZAAICG-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CCC[C@@H](CS)CN(Cc1ccccc1)[C@H](C)CC 387449528 ULGPMWLBTYTPPH-NVXWUHKLSA-N 279.493 4.633 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2coc(Br)c2)C1 393535562 QQOZMHWISXQNQE-BXUZGUMPSA-N 296.208 4.695 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)C(CC)(CC)CC)C1 395246785 WVKMUYJHWPQOKD-VYDXJSESSA-N 265.441 4.674 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1NC[C@@H](C#N)C1CCCCC1 397320929 QLQZREJWUZAWKH-FGTMMUONSA-N 276.468 4.511 30 10 CJEE N#Cc1ccc(Sc2nccc3ccccc23)cc1Cl 401686696 XZMCGPXCWWSVCQ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H]2C[C@H]2C1 403868092 YFTKCIRMOHAFKT-BDXSIMOUSA-N 280.500 4.785 30 10 CJEE O=C(C1=CCCCCCC1)c1cscc1Br 404778353 MGHHSABGYIYPPE-UHFFFAOYSA-N 299.233 4.974 30 10 CJEE C=CCC[C@@H](NC1CCC(C(F)F)CC1)c1ccco1 414179939 LAAKHXQSQLGKCI-JXQTWKCFSA-N 283.362 4.700 30 10 CJEE C=C(C)COc1cccc(N[C@H](C)CCC(F)(F)F)c1 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4.890 30 10 CJEE CCCCCCCC[C@@H](C)NCCCOC(C)C 2223857922 SZBOCNGJVIVFGM-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CO[C@H](CSCCCCCCCCCS)C1CC1 2224064805 DUMVYZULLGUTFI-OAHLLOKOSA-N 290.538 4.805 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C[C@H]2CC[C@H]1C2 2225365499 YUHVQDKEVLPCCI-COZGXFGHSA-N 260.421 4.598 30 10 CJEE C=CCCCCCCCN1CCC[C@H](C(C)(C)F)C1 2227267503 HBTISGKOGIXGIA-INIZCTEOSA-N 269.448 4.973 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCC[C@H]1OCC 2227268884 UAUYMJBRDFTSOH-SJORKVTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@@H](N)c1snnc1C(C)C 2227275333 XMGNKRZJFWZFRO-CYBMUJFWSA-N 281.469 4.578 30 10 CJEE C=CCCCCCCCN=[S@@](C)(=O)c1ccccc1 2227281772 HWLQDGKYIIYEGN-IBGZPJMESA-N 279.449 4.670 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCc2scnc21 2229776301 KFSVBHMGLUKFEZ-AWEZNQCLSA-N 280.481 4.813 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](NC)[C@]1(C)CC 2231028192 ZWIPSIYNOXGLBS-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2231924866 ULXCOCOANNRZGK-PNVOZDDCSA-N 263.469 4.617 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)c1nnc(C)s1 2231945275 DQJGAKILYMOFTJ-OLZOCXBDSA-N 283.485 4.636 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1OC[C@H]2CCCC[C@@H]21 2233216515 OLAKVKASSLTRKH-MHORFTMASA-N 281.484 4.530 30 10 CJEE C=CC1(C[C@@H](Cc2ccc(F)c(Cl)c2)NCC)CCC1 2233414470 VMBUOVURPGLVLE-CQSZACIVSA-N 295.829 4.746 30 10 CJEE N#Cc1cc(Cl)ccc1NC[C@H]1C[C@H]2CCC[C@H](C2)C1 2233699624 XSXBKAGPGLTTGD-BTTYYORXSA-N 288.822 4.840 30 10 CJEE C=CCCCCCCCCO[C@H]1CCCCCC[C@H]1N 2234047388 VFPPTNUOLIHPBK-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)ccc1COC 2234047518 VUAVKXCKIXOXCA-QGZVFWFLSA-N 282.399 4.756 30 10 CJEE CCC[C@@](C#N)(CSCCCCCC1CC1)NC1CC1 2235464292 KMRHWCAPRWPTAR-QGZVFWFLSA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CCCC(C)(C)O1 2235520779 CQGNFDHUOPQJET-KRWDZBQOSA-N 282.424 4.706 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cncc2c1CCC2 2235526841 OYHXVOSGPVMXLQ-GOSISDBHSA-N 273.420 4.520 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238156911 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2254327680 DOZHOWWOVLGIMO-MRXNPFEDSA-N 257.402 4.518 30 10 CJEE N#C[C@H](CSCC1=CCCCC1)c1ccccc1 2255143725 ZTBYCNAAMNCKRV-MRXNPFEDSA-N 257.402 4.527 30 10 CJEE C=CCCCCCc1cccc(OC(F)(F)F)c1 2258726249 MGXCBVMXAVSHCP-UHFFFAOYSA-N 258.283 4.874 30 10 CJEE C=CCCCS[C@@H]1CCCC2(CCCCC2)[C@H]1N 2258975916 MLAIKAMPDKOPBP-CABCVRRESA-N 267.482 4.516 30 10 CJEE C=C[C@H](C)CCN(C)CCCCCCCC1CC1 2260383772 XAQQZPLFHQGWQE-INIZCTEOSA-N 251.458 4.881 30 10 CJEE C[C@H](c1ccccc1)N(C)CCCCCCCS 2263206760 JAXPALPMLCGDCI-OAHLLOKOSA-N 265.466 4.560 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(C)c(F)c(C)c1 2264465177 YWCGEJPMPHOBAB-KRWDZBQOSA-N 265.416 4.977 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 2264940092 LCKZGCSTSHGYEJ-STQMWFEESA-N 274.326 4.671 30 10 CJEE C=CC[C@@H]1CCCCN(CC[C@@H]2CCC[C@@H](C)C2)C1 2265036167 DHWWNDKUJCYIHH-FGTMMUONSA-N 263.469 4.881 30 10 CJEE Cc1cc([C@H](C)Nc2c(F)cccc2C#N)c(C)s1 2265755230 ILVRVPNTTKXJLB-JTQLQIEISA-N 274.364 4.549 30 10 CJEE CCCCCCCC[C@H](O)c1c(C)nn(CC)c1Cl 2266649726 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N#Cc1ccc(CSCC23CCC(CC2)C3)c(F)c1 2274347919 IBSKVHBLJZTVIJ-UHFFFAOYSA-N 275.392 4.511 30 10 CJEE CC[C@](C#N)(C(C)C)[C@]1(O)CC(C)(C)CCC1(C)C 2274492560 VYEPROGFSZXVKX-IRXDYDNUSA-N 265.441 4.530 30 10 CJEE C=C(C)CCCC[C@](C)(CCC(C)C)OCCCN 2276894503 QUJYMZXWRWUNEW-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2scnc2c1 2278671372 CLNRFPKJACUORT-AWEZNQCLSA-N 276.449 4.917 30 10 CJEE C=C1CC(CNC(C)C)(CC2(C)CC(C(F)(F)F)C2)C1 2279328847 RJQPXFPTENMYPZ-UHFFFAOYSA-N 289.385 4.690 30 10 CJEE Cc1cc(NC(C2CCC2)C2CCC2)cc(C)c1C#N 2280569996 GXVWHSOCYBUEEF-UHFFFAOYSA-N 268.404 4.556 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H](C)C1CCCC1 2284177263 QCYIUYXXKSRFBQ-AEFFLSMTSA-N 275.480 4.787 30 10 CJEE C=CCCCCCCCS[C@H](C)C[C@](C)(C#N)NCC 2287095769 CXJQJHZVIMQITP-IAGOWNOFSA-N 296.524 4.917 30 10 CJEE C=C(C)CCCCN1CCC(OC2CCCCC2)CC1 2287377431 HZBOEPWVZIBBEB-UHFFFAOYSA-N 279.468 4.547 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc(OC(C)C)cc1 2287466458 QEDVMYBZWPJGPD-GOSISDBHSA-N 276.420 4.818 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(C)(C)N(CC)CC 2287468492 VJOLFWNONYFWIW-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=C1CCC(CNc2cnc(C(F)(F)F)c(C)c2)CC1 2288171022 DJLXRLFWSHCOCQ-UHFFFAOYSA-N 284.325 4.567 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cc(C)cnn1 2288675297 BEGFFYBANWHGDQ-MRXNPFEDSA-N 277.456 4.706 30 10 CJEE C=CCCCCCC[C@]1(OCCC(=O)O)CCC1(C)C 2291284862 LSBQDTYMQHSQNA-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@](CCC)(OCC(=O)O)C(F)F 2291564081 WOARRTKXRQRCIV-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=C(C)CCCCC1(OCCC(=O)O)CCCCCC1 2291754231 NUGKNOXZCWSYFD-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCC[C@@H](C)[C@](C)(CCCCCC)OCCC(=O)O 2292332602 AQERBIUPGLBZHX-WBVHZDCISA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@H]1[C@@H](C)[C@H]1C 2292794030 VMVPFLCBIZWDKQ-XMTFNYHQSA-N 281.484 4.539 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1ccc(Cl)cc1F 2292795711 DDYONMKKQHCSRV-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCCCC12CCC2 2292909303 NRLJOCJOJLQQSE-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C1CC1)OCCCN 2292915997 MOCJCESVXLXAJG-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CN(Cc1ccsc1C#N)[C@@H]1CC(C)(C)CCC1(C)C 2294712926 JSIRILWVOOJHAZ-OAHLLOKOSA-N 290.476 4.656 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)C[C@H](C)C(C)(C)C 2295211770 MTWKIVNUFPNZQH-GOEBONIOSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nccc(C)c1F 2295585242 KPVHCOGDRWRJCZ-KRWDZBQOSA-N 281.415 4.877 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H]1CCC[C@@H]1C 2295674803 VMUFREKWLHTDSU-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCN(CC)C(=CC(=O)c1ccc(C)cc1)c1ccccc1 2297313384 IGOXBCRNDXAXAQ-UHFFFAOYSA-N 293.410 4.561 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1csc(CC)c1 2304061725 HNRGFJWCTWNONC-CQSZACIVSA-N 251.439 4.563 30 10 CJEE CCCCC[C@H](C)OCC1(CS)CC(C)(C)C1 2304485550 AITVDHOFHHIOPI-ZDUSSCGKSA-N 258.471 4.708 30 10 CJEE CCCC(CS)(CCC)COc1ccsc1C 2307201422 AJRBZVJKBUALRT-UHFFFAOYSA-N 272.479 4.952 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1c(N)ccc(Cl)c1Cl 2315457655 FLUVDXOIICDGPD-SKDRFNHKSA-N 285.218 4.732 30 10 CJEE C=C[C@@H](C)CCN(C)CC=C(C)CCCC(C)C 2316518241 GTGFNOBCYUPHFX-MRXNPFEDSA-N 251.458 4.903 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(F)c(C)c1Cl 2316781008 WCVBKSCWGXSWNY-MEBBXXQBSA-N 269.791 4.650 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(OC)c(Cl)s1 2317944893 ONCWYMZRJBTBQU-MFKMUULPSA-N 287.856 4.663 30 10 CJEE SC[C@H](COCCCC1=CCCCC1)C1CCC1 2318488526 SAPDCNSUJGODSX-INIZCTEOSA-N 268.466 4.630 30 10 CJEE SC[C@@H](COCCC1CCCCCCC1)C1CC1 2319464693 NSZCRXSXMPNJQW-MRXNPFEDSA-N 270.482 4.710 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC[C@H]1CCCC1(F)F 2321099243 PYHWOVKIDLRMKO-MCIONIFRSA-N 259.384 4.522 30 10 CJEE C[C@@H]1CCCCC1=NOCCCOc1ccc(Cl)cc1 2329917660 QAGPRYFZQHYXBH-CYBMUJFWSA-N 295.810 4.692 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@@H]1C[C@H]1c1ccccc1 2332782078 IFFJGBIPHLEAQX-BZSNNMDCSA-N 258.405 4.966 30 10 CJEE C=CC[C@H](C)OC(=O)c1cc2c(s1)CCCCCC2 2335110928 QHSMINLLBVLVOR-LBPRGKRZSA-N 278.417 4.529 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)c(F)cc1[C@@H](C)NCC 2335232820 TXZHROKGCSDBGX-CHWSQXEVSA-N 281.440 4.861 30 10 CJEE C=CCC(CC=C)c1c(F)cccc1OC(F)(F)F 2338715344 QNJQBZWPANSTPW-UHFFFAOYSA-N 274.257 4.960 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C)CC[C@H]1CNC(C)C 2338723790 APCDLAHYDBDCNB-NJAFHUGGSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(F)c(C)c1Cl 2338737388 CXOKORBBFOHTGJ-MRXNPFEDSA-N 281.802 4.816 30 10 CJEE N#C[C@]1(CC2CCCCCC2)CCOC12CCCC2 2339070425 NFRATAYFBXSXQT-MRXNPFEDSA-N 261.409 4.590 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1COCC1(C)C 2339072236 CMHDJMOEYWAJMS-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccc(F)cc1C1CC1 2339218692 DMZGADLIXBKDEB-SJKOYZFVSA-N 257.352 4.576 30 10 CJEE COc1c(Cl)cc(CC2=CC(=O)CCCC2)cc1Cl 2340229707 JWPLZIWACNWLHQ-UHFFFAOYSA-N 299.197 4.614 30 10 CJEE Cc1c([C@H](O)[C@]2(C#N)CC[C@@H](C)C2)ccc(Cl)c1Cl 2340530829 SOECIDTYEFLUST-TURNYIBQSA-N 298.213 4.665 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC(C)(C)[C@@H]1C 2340689776 FAQPTAIFGSJNCL-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCC[C@](C)(C=O)Cc1cc(F)ccc1C1CC1 2341689087 UXGBMZCZXWSJGR-KRWDZBQOSA-N 262.368 4.641 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(COC)s1 2342267880 FKKLYSKVHUOCOW-OAHLLOKOSA-N 281.465 4.682 30 10 CJEE C=C(C)C[C@@H](O)C[C@@H](c1ccccc1)C1CCCC1 2342554494 KNNINWJYNRLTIV-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE C[C@H]1C[C@H]2C[C@](CC3(C#N)CCCCCCC3)(C2)O1 2342635311 SLKNDMNWAPZCPB-YQQAZPJKSA-N 261.409 4.588 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2344354824 CLVCXILEKJSJOX-LBPRGKRZSA-N 291.744 4.961 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(C(C)(C)C)c1 2344395847 KPXLDOZJTAMHOY-WMZOPIPTSA-N 259.437 4.976 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(C2CCC2)c1 2344458581 AHJUCHHNAQZZEB-ROUUACIJSA-N 258.405 4.980 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1CC(F)(F)C12CCC2 2344476772 NNTJUJQGHZHIJG-IHRRRGAJSA-N 272.379 4.555 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)C12CC(CC(C)C)(C1)C2 2344840781 SEAXDPUAHLCGQX-MRLCAUJQSA-N 263.469 4.783 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1ccc(Cl)c(Cl)c1C)C2 2351691142 ZWGBRFLXUGGSCR-DRQUAOQDSA-N 296.241 4.842 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H](C(C)C)C2)ccc1C#N 2353827486 ZJQZJXNLNAZKMJ-GXTWGEPZSA-N 274.433 4.517 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC2(CCCCC2)CC1 2353843511 SSPQISMCHYBDDJ-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CCCC#C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2358541416 VICUPTPBSGVOGM-IPMKNSEASA-N 275.480 4.765 30 10 CJEE Cc1ccsc1[C@@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@@H]21 13645666 RJMCDJMKGOJYSD-UKPHBRMFSA-N 292.407 4.755 30 10 CJEE N#Cc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1 36842306 XUNWIXBNSWCQFV-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1 36859204 QZVCCOOHXNFOJP-FHLIZLRMSA-N 271.404 4.536 30 10 CJEE N#Cc1ccc(Nc2nc3ccccc3s2)cc1Cl 37393513 YZBVVDYBLFFKST-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCC1CCC(Nc2cc(C#N)cc(F)c2C)CC1 37898740 DCXQVDHGMBQSPR-UHFFFAOYSA-N 274.383 4.777 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2cccc(F)c2)cc1 37936970 IQTRPTANDIBTCL-QGZVFWFLSA-N 282.362 4.800 30 10 CJEE CC(C)CC[C@](C)(C#N)Nc1cccc(Br)c1 37937589 ZQEUKWIVZHPPPA-CQSZACIVSA-N 295.224 4.579 30 10 CJEE CCc1ccc(OC)c(C[C@@H](C#N)c2cc(C)ccc2C)c1 57761695 ADCAYCXSVPRKJT-SFHVURJKSA-N 293.410 4.724 30 10 CJEE CCCCCCCCCOc1c(C=O)cccc1OC 59272064 PKIHIPJMZXGXIN-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE N#Cc1ccc(SC2CCCCC2)cc1Cl 61855654 GXEGHRXPVUDQPK-UHFFFAOYSA-N 251.782 4.636 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(Br)cc1 71276530 XXVYBGYWCVZBCU-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCCn1nc(C#N)cc1-c1ccc(C(C)(C)C)cc1 76844749 WVDPLAVMUALMIQ-UHFFFAOYSA-N 281.403 4.519 30 10 CJEE CCc1sc(-c2cc(C)cc(C)c2OC)cc1CC#N 77097589 FCDJBJOQAGCISV-UHFFFAOYSA-N 285.412 4.669 30 10 CJEE SCC1(CSc2cccc(Cl)c2)CCC1 87097838 KPCMAAYEYRNANS-UHFFFAOYSA-N 258.839 4.532 30 10 CJEE CC(C)CCN(C1CCCC1)[C@H](CC#N)c1ccccc1 94848793 GFAHZAKCFZCNPL-LJQANCHMSA-N 284.447 4.932 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccnc2ccccc12 97284044 UATSYFAFIIPKBS-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=C(CC)C[C@H](NC)c1cc2cc(F)ccc2s1 97284176 BQJDGPBHRBKOLK-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=C(C)CC[C@H](N)c1cc2cccc(Br)c2o1 97419681 JYZNMWHUOSOSIS-LBPRGKRZSA-N 294.192 4.551 30 10 CJEE CCCCCCCNC[C@@H](C)Oc1ccc(Cl)cc1 100027253 XEVHBMQZWQNBPK-CQSZACIVSA-N 283.843 4.667 30 10 CJEE COc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1 103998701 BHWYVMUDKZMBQJ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C=C(C)COc1ccc(-c2c(N)sc(C)c2C)cc1 105555159 RZWFKSKOWARTNY-UHFFFAOYSA-N 273.401 4.569 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(Cl)cc1 109718716 AEPNTWDLPFHPKY-OAHLLOKOSA-N 253.817 4.570 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 109905233 WOLJNVZQZABOKI-HUUCEWRRSA-N 292.423 4.994 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)COC 110167883 MSMZELLYSHIROG-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE CCC1(C)CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 110258720 NRLKJNWNCACIFK-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(C)ccn1 111680539 NJHAAZRUZKCJSJ-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H](C)OCC 113051983 AMVHBCTZWDOKCM-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC1(CNCCOC)CCC1 114912205 FDALBMJISGVDIO-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCCC(=O)N1CCCC[C@H]1C#N 115857563 GZZCXFLIZFXBNH-KRWDZBQOSA-N 292.467 4.812 30 10 CJEE CCCCCCCCOc1cccc2c1CCC[C@H]2N 116378418 MKSCBJBTZSJQNW-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE CCCCCCCCCC[C@H](N)[C@](C)(CC)N(C)C 118152049 WKAVKDKXXVEUKM-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE CCCCCCCn1ccc([C@@H](CCC)NC)c1 118244663 VEHVGTNDUSHHTH-MRXNPFEDSA-N 250.430 4.519 30 10 CJEE CCCCCCCCCCCCN(C)CC(C)(C)CN 122414314 JSYXXEPYKCRHIF-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccnc(C)n1 132392980 YHMUFPMZSZESBQ-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCOc1ccc(Oc2cccc(SC)c2C#N)cc1 136708235 GKGAPTNWGLVHJJ-UHFFFAOYSA-N 299.395 4.861 30 10 CJEE C[C@@](O)(c1ccc(Cl)cc1)C1(C#N)CCCCCCC1 156789754 KMTRGEOFNKHBAO-MRXNPFEDSA-N 291.822 4.802 30 10 CJEE CCc1ccccc1[C@@H](O)C1(C#N)CCCCCCC1 156813256 SDBVKKCYBADDNZ-QGZVFWFLSA-N 271.404 4.537 30 10 CJEE CCCCCCCCNC1CC(c2cccc(OC)c2)C1 159153507 ZLQOIJTWGDPSLP-UHFFFAOYSA-N 289.463 4.891 30 10 CJEE N#Cc1ccc(Oc2cccc(Cl)c2F)c(Cl)c1 167122898 BJUOOYQRCJUOSJ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)CCCC 167646755 WZVCGTPUOHTKKP-OAHLLOKOSA-N 255.446 4.604 30 10 CJEE N#C[C@H](Sc1ccccc1F)C1CCCCCC1 167875122 PLKRRGPYIDBQMJ-HNNXBMFYSA-N 263.381 4.780 30 10 CJEE CCCCCCCCCCCCC(=O)CNCCC 168427880 MCBSFACYAMAVPK-UHFFFAOYSA-N 269.473 4.866 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1cccc(Cl)c1Cl 213031936 YYTZNTHNMQPKFE-CQSZACIVSA-N 297.229 4.823 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CCC)CC[C@H]1CNCC 227525157 WMVQVHQZJRMLHQ-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ncc(C)cc1C 233124925 DENNJGCIGWMJRK-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE CCC[C@@](O)(CC)C1(C#N)CCC(C(C)(C)C)CC1 233316030 SCQVIFVBBPPJCV-PREGVCBESA-N 265.441 4.674 30 10 CJEE C=CCCCCCC(=O)[C@H](OCC)C1CCCCC1 233756586 BBRGNTOHKGUDDX-QGZVFWFLSA-N 266.425 4.677 30 10 CJEE C=CCCCCC[C@@H](CSC1CCCCC1)NC 234424541 ZMANWTBJUCAGIX-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(Cl)c1F 234461114 SKSKEXWNUONSBY-CQSZACIVSA-N 269.791 4.876 30 10 CJEE C[C@H]1CCC[C@H](SCc2ccc(F)c(C#N)c2)C1 235603569 IZYZGBXXYLJHFJ-FZMZJTMJSA-N 263.381 4.509 30 10 CJEE C=CCCCCC[C@@H](O)C1CCC(C(F)(F)F)CC1 236547234 LQCJIFHKFZIEQR-JXQTWKCFSA-N 278.358 4.853 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 250577131 SQQKYWBBYQMSEW-FGTMMUONSA-N 265.485 4.887 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@H]1CCC 250812426 HWJFTDIKWBIMEN-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CC(C)c1nccn1[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252437553 WIADYHHYBRCYMX-SOUVJXGZSA-N 273.424 4.534 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cccc3c2CCCC3=NO)C1 252677049 RXMVETLINCKFTO-UONOGXRCSA-N 287.403 4.549 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN2CC[C@H]1C2 252975162 VZUXLZVKZQPCGJ-OALUTQOASA-N 295.511 4.754 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 308058237 SXDMAUIKKOZEMD-NEPJUHHUSA-N 295.785 4.728 30 10 CJEE CCCCCCCCc1nc2c([nH]1)CC[C@H](C)[C@H]2C 311855156 POSQUHCJAHWQLQ-UONOGXRCSA-N 262.441 4.999 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(C)cc1OC 312405966 IGQVZPQPQPVGDG-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE N#C[C@@]1(Nc2ccccc2F)CCCCC12CCCC2 312674642 CAIAFIXETJVFDP-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cccc(CC#N)c1 313439305 QUNWOKHOGWYWAP-SJORKVTESA-N 270.420 4.769 30 10 CJEE CCCCCCCC[C@@H](CCC1CCOCC1)NCC 313457352 CMZUSWCTRRVBES-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=CCC1(CNCC(C)C)CCC(C(C)C)CC1 318569573 LTUHRNITROQRDQ-UHFFFAOYSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)CC[C@H](C)C1 319307947 DOPKDZLCTSNIFB-RDJZCZTQSA-N 251.458 4.905 30 10 CJEE C=CCCCN[C@@H](C)c1cc(Cl)sc1Cl 379771752 APMPOFYDTRXLFX-QMMMGPOBSA-N 264.221 4.672 30 10 CJEE N#CC1(C[C@@H]2OCCc3ccccc32)CCCCCC1 380201246 GDCXUZHPOGEGQV-KRWDZBQOSA-N 269.388 4.555 30 10 CJEE C=CCCCCCCN[C@@H](C)c1csc(C)c1 381471705 LHMKRSUWWWHLHT-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE C=CCS[C@@H]1C[C@H](C)c2ccccc2[C@@H]1NCCC 381668565 PORKNCIPUBWDSS-XKQJLSEDSA-N 275.461 4.522 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C1(C#N)CCC1 381970810 JYWPGNQUCRMNSR-UHFFFAOYSA-N 277.367 4.519 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cc(Br)cs1 384735639 CAFXQJKQJTYNGZ-GXFFZTMASA-N 298.249 4.773 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2sccc2c1 386484032 XFPNICUVLIRZKA-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)[C@H]2CC3CCC2CC3)cc1 394519410 SWJZMRHHMIKZGH-XXCQWMQFSA-N 299.458 4.556 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 395738746 UQVLTOAGVGOFGZ-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(c1cnc2ccccc2c1)C(C)C 448456785 MQSGYJGXUVAUME-OAHLLOKOSA-N 296.414 4.579 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccc(F)cc1 526851335 FAMLZWCPUFKKOQ-LJQANCHMSA-N 284.440 4.825 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCCC2(CC2)C1 686703979 OJBWYCFFMNRKMH-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCCC2(CC2)C1 686703982 OJBWYCFFMNRKMH-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CSc1cccc([C@H](C#N)Nc2cccc(Cl)c2)c1 686949025 PVZHAOUROFFNMT-HNNXBMFYSA-N 288.803 4.739 30 10 CJEE O=CC1(Cc2ccsc2Cl)CCCCCCC1 688037729 VOEIZQOQTOEMGN-UHFFFAOYSA-N 270.825 4.874 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@H](N)CC 695312673 SEEYRVCHJOVMOV-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE CCN([C@H](C)C(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 706432701 PZSWATKCBUVSFE-LTIDMASMSA-N 278.484 4.707 30 10 CJEE CCC(Nc1cccc(SC)c1C#N)(C1CC1)C1CC1 707558493 CPMWIBNNDBJVBC-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE C[C@H](Nc1cccc(C2CC2)c1)c1cccc(C#N)c1 709683687 IKEHCMUONIJGPD-ZDUSSCGKSA-N 262.356 4.609 30 10 CJEE N#C[C@@H](CNc1cccc(C2CC2)c1)C1CCCCC1 709694321 IUWODCVVQCGBED-KRWDZBQOSA-N 268.404 4.696 30 10 CJEE C=CC[C@H](C)Oc1cccc(Cl)c1CNC(C)(C)C 715002291 RULWHOPIDDHCGR-LBPRGKRZSA-N 281.827 4.572 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc2c1CCCC2 715702293 BLTDQBKBLTTXRR-GUYCJALGSA-N 277.477 4.880 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCO[C@@H](C(C)(C)C)C1 721828723 XRWBGXPGWYASFI-YESZJQIVSA-N 283.500 4.919 30 10 CJEE N#Cc1cccc(NCCc2cc(Cl)cc(Cl)c2)c1 722100494 QUZDOVBDAMQWMK-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE C=C1CCC(CSc2cccc([C@@H](C)N)c2)CC1 724559743 MNAJGGCJOTWHRJ-CYBMUJFWSA-N 261.434 4.545 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1cncnc1C)c1ccccc1 883326733 JUYMTUFMRBTATE-LPHOPBHVSA-N 295.430 4.533 30 10 CJEE C#Cc1cccc(N(CC)C(=O)[C@@H](CC)CCCCC)c1 1125842131 ABBUKKQAZSZVJZ-KRWDZBQOSA-N 285.431 4.627 30 10 CJEE C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 1129869441 USHMJMNFWMEQAD-QZTJIDSGSA-N 285.431 4.528 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC)CCCCCC 1131513392 ZUNIGELLNRRCAD-ZACQAIPSSA-N 277.452 4.693 30 10 CJEE C=CCCCCN1CCC[C@@H]1[C@@H](C)c1ccccc1 1176365767 UWWMTEZUTINLFR-FUHWJXTLSA-N 257.421 4.611 30 10 CJEE CCCCCCCCCCN1C[C@H]2CCC[C@H]2C1 1176874051 FCLLYTAPSQLJTF-CALCHBBNSA-N 251.458 4.859 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc2occc2c1 1179142350 FQLDPRKXOWNBFJ-RDJZCZTQSA-N 269.388 4.657 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)CC1CCC2(CC1)CC2 1190644345 XBSWESPLIOXVTO-UHFFFAOYSA-N 294.442 4.517 30 10 CJEE C=CCN(CCC1CCCCC1)Cc1cccs1 1205162427 OJIJYJUVVPHMFS-UHFFFAOYSA-N 263.450 4.707 30 10 CJEE 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CC(C)[C@@H]1CCC[C@](N)(CC=CC#CC(C)(C)C)C1 2268752337 JIDSPGCRWXMBKW-SJLPKXTDSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc(F)ccc1Cl 2268786527 PSJTVRNPULEZJS-HNNXBMFYSA-N 280.770 4.508 30 10 CJEE C=CCCCCCCCS[C@H](C)[C@@H](C#N)NC(C)C 2271518318 ZSLISBJLVQOBDE-HZPDHXFCSA-N 282.497 4.525 30 10 CJEE C=C(C)CCCC[C@@](C)(CNCC)c1ccccc1 2271750896 RQQFYYGWUHJGLM-SFHVURJKSA-N 259.437 4.690 30 10 CJEE C[C@](N)(C#CC1CCCCC1)c1c(Cl)cccc1Cl 2273982619 OMQFJRFEXITQBI-INIZCTEOSA-N 296.241 4.751 30 10 CJEE CCN[C@H](CC#CC1CCCC1)CC1CCCCC1 2273998874 JWITUPMFTLDEEK-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CN[C@@H](CCC#CC1CCCC1)CC1CCCCC1 2274130415 MRCWFMJPUPTUPO-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=CCCCCC[C@@H](CCCCCC)OCCCN 2276211851 GTBHJXCTPKZJQF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CC=C(CC)[C@@H](CCCCCCCCC)OCCN 2277004949 HZISGZYIOYIYNK-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCC=CO1 2278229503 MIGVKGYIPSTJMP-DLBZAZTESA-N 267.457 4.798 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@@H]1CCCO1 2278232342 DAACHIUPTJOJCI-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCN[C@@H](CCC=CC#CC(C)(C)C)C1CCCC1 2284111119 HUDGWUBZKSSGAA-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H](CC(C)C)C(C)C 2284171263 TVAZJKUEEIDJDC-MSOLQXFVSA-N 277.496 4.889 30 10 CJEE Cc1cc(Nc2c(F)cc(C#N)cc2F)cc(C)c1C 2286119538 GEYDHDBFJXJPIU-UHFFFAOYSA-N 272.298 4.505 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](C)[C@@](N)(C#N)C1 2287093344 DAAKTPARDAIRNM-ZACQAIPSSA-N 294.508 4.656 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCC[C@H](OC)C1 2287383443 FUJCTDXHMHFASF-ROUUACIJSA-N 281.484 4.696 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](O)C#CC2CCCC2)CC1 2289698596 TVSVJDCGOBBFQH-GUDVDZBRSA-N 276.464 4.928 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1C[C@H](C)C[C@@H](C)C1 2289700849 QMQXLAIDIFDGIZ-GPMSIDNRSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(CC2CC2)c1 2289758408 SGSFMEYCPBNVRX-GOSISDBHSA-N 274.452 4.504 30 10 CJEE Cc1ccc(C(F)(F)F)cc1NCC#CC1CCCC1 2289844860 JIOJAELIFWNBQX-UHFFFAOYSA-N 281.321 4.619 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)C2CC(CC(C)(C)C)C2)C1 2289939971 PTOFNEGWNQAWSQ-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE C=C(C)CC[C@H](Cc1cccc(C(C)(C)C)c1)NCC 2290293282 OCSMGOVZQBRENM-GOSISDBHSA-N 273.464 4.861 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)[C@H](C)C(C)(C)C 2291446883 RBGUOPDGNMURBI-LSDHHAIUSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCCC[C@H]1C2)OCCN 2292824318 FHOJJSKZQKTKFX-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CC1(C[C@](C)(CCCCCC)OCCCN)CCC1 2293530468 MRTMRZUKOBFBLH-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCC1(OCCCN)C[C@@H]2[C@@H](C1)C2(C)C 2294357472 SWKPXOGLELUEBG-HZPDHXFCSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](CC)(OCCCN)[C@H]1CC1(C)C 2294363100 ROJBHZMISZOWRH-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)CC1=CCCCC1 2295195906 ZRULBBPLKFATFN-QGZVFWFLSA-N 287.834 4.560 30 10 CJEE C=CC[C@H](C)SCC(=O)c1ccc(Cl)c(Cl)c1 2298941474 DLPLDXZUGXIJMU-VIFPVBQESA-N 289.227 4.874 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NC)c(Cl)c1 2298941938 HTYIXGDDNHBNAI-WDEREUQCSA-N 269.841 4.677 30 10 CJEE CCC[C@@](C)(C=O)Cc1cc(F)c(Cl)cc1Cl 2306241503 KNPXTLITTHDBOR-CYBMUJFWSA-N 277.166 4.680 30 10 CJEE C=CCC(CC=C)Sc1ccccc1[C@H](N)CC 2313689449 PEINLLJZAPOKHM-OAHLLOKOSA-N 261.434 4.709 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCCCC[C@H]1C[C@H]1C 2321101942 MXTWAPTYHGAEAZ-TWMKSMIVSA-N 251.458 4.913 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)sc(C)c1C 2321133451 GIVLVPGZUPIPKN-BZNIZROVSA-N 265.466 4.926 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(F)cc1SC 2328516917 PUPAZDJDJCCNPV-CQSZACIVSA-N 267.413 4.555 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1CCC 2332723439 WSDQYHAHAJPWBA-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@H](NCC)[C@]12CCC[C@H]1CSC2 2332981025 YXVLWSYLYNBTJH-BBWFWOEESA-N 283.525 4.858 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@H]2C(F)(F)F)CCCC12CCC2 2333465738 UTPPHCXWEJPDHJ-SCRDCRAPSA-N 271.326 4.829 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1CNC 2335572162 PIZYYYWBZVMXCZ-UHFFFAOYSA-N 295.879 4.981 30 10 CJEE C=CCCCCCCC(=O)c1snnc1C1CCC1 2335785436 SNKNANUMEUWVPI-UHFFFAOYSA-N 278.421 4.515 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@@]1(C)CC 2336889511 AYYBFZWEMGSZQR-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccc(F)cc1C1CC1 2339218606 CQVNLVJGYMRBSG-KRWDZBQOSA-N 259.368 4.966 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@]1(C)CC=CCO1 2339797847 LHYRYFYAGAEQKH-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(CC(C)C)c1 2341931202 XZFVLDSDWGTDSP-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(COC)s1 2342060863 HXASSEOPHCWLAZ-UHFFFAOYSA-N 280.433 4.994 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC2(CC(C)C2)C1)NCCC 2344342601 LCBSUJKMTDODHR-PASYZDRLSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC 2344350153 ZGXZNOVCQYBDBQ-AVEIZBFRSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCCC[C@H]1CC 2352000317 DUAPUGCZTPDTCP-CJNGLKHVSA-N 282.449 4.664 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@H]1C[C@H]1C1CCCC1 2352166370 OJIMTQAIYIRFGR-VYDXJSESSA-N 284.509 4.812 30 10 CJEE C[C@@H](c1ccccc1)N(C)C[C@](C)(CS)C(C)(C)C 2352294728 OLCFGHXGAITJQQ-WMLDXEAASA-N 279.493 4.662 30 10 CJEE C#CCCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 2352588273 UPRLSHPRCJWSOA-UHFFFAOYSA-N 298.213 4.906 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCC[C@@H]3C[C@@H]32)NCC)CC1 2355645620 HZSICOKBDHRIMC-NCXUSEDFSA-N 275.480 4.927 30 10 CJEE C=CCC(CC=C)OC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2360215296 TVIULNYWNKYGOK-XIRDDKMYSA-N 276.420 4.657 30 10 CJEE C=CCC(CC=C)S[C@@H](c1cccc(F)c1)[C@H](N)CC 2360333087 HWCOHJPHBFYTHX-SJORKVTESA-N 293.451 4.858 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)cc1CNC1CC1 2360370196 CGYNHNVTNKILAW-UHFFFAOYSA-N 287.472 4.860 30 10 CJEE Cc1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)s1 14456370 RCFMVVTZNHLKTO-XUWXXGDYSA-N 292.407 4.755 30 10 CJEE CC(C)c1cc2c(cc1O)[C@@]1(C)C=CC(=O)C(C)(C)[C@H]1CC2 32271346 POQWLCRKASQCAO-YLJYHZDGSA-N 298.426 4.501 30 10 CJEE C=C(C)[C@H]1CC=C(CN(C(=O)c2ccccc2)C(C)C)CC1 34952030 VIDZZKODFDMUGA-SFHVURJKSA-N 297.442 4.840 30 10 CJEE Cc1cc(C)c(CNc2ccc(Cl)c(C#N)c2)cc1C 37282092 SNLMMDLBCPQSII-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE C/C(=C\C(=O)c1ccccc1)c1cc(F)c(F)cc1Cl 40448318 MOXFYXLULXMQCZ-JXMROGBWSA-N 292.712 4.904 30 10 CJEE CCc1ccc(OCCC[C@H](C#N)c2ccc(F)cc2)cc1 57685557 OCRKRLHXSNIVFM-QGZVFWFLSA-N 297.373 4.854 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)[C@@H](CC#N)c1ccccc1 62014207 DEOBNDGFFBDPIV-KSSFIOAISA-N 298.817 4.988 30 10 CJEE COc1cc(C)c(Cl)cc1-c1cc(C#N)c(C)s1 77095357 IHWMCROQMDBKMD-UHFFFAOYSA-N 277.776 4.566 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Br)s2)C1 83791706 JCNTVJDCFPMLKA-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CC(C)n1c(C2CCCCC2)nc2cc(C#N)ccc21 86636250 FBMNQWVVWNSKDK-UHFFFAOYSA-N 267.376 4.537 30 10 CJEE SCC1(COc2cccc(Cl)c2)CCCCC1 94582959 INPQFDBDYLMNNH-UHFFFAOYSA-N 270.825 4.599 30 10 CJEE Cc1ccc(C(=O)/C=C/C(Cl)=C\c2ccccc2)o1 96310803 ZPNUKXRNQXMBBP-HUKVCQRGSA-N 272.731 4.607 30 10 CJEE CCCCCCCCCCn1nc(C)c([C@@H](C)N)c1C 108042153 LQJAMHBZQQEBNJ-CQSZACIVSA-N 279.472 4.660 30 10 CJEE CCCCCCC[C@@H](C)NCCCOc1ccccc1 109949873 ANKVBYRYYMOBIE-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)Cc1cccs1 110018676 BMYYVTQCSZMQKC-KRWDZBQOSA-N 296.524 4.648 30 10 CJEE CCCCCCCC[C@H](CNC)Cc1ccc(OC)cc1 110188614 WBZQJEGCRPBEMY-SFHVURJKSA-N 291.479 4.824 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 110255610 FMDPYRQYQKGMRN-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE C[C@H]1CCC[C@@H](SCCCOc2cccc(C#N)c2)C1 110354854 DSMPVFBFQDVOOO-WMLDXEAASA-N 289.444 4.639 30 10 CJEE CCCCCCCCCC[C@@H](NC)C1CCOCC1 114996850 CNKSWZKPCVQWMI-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCc1nc(CNC(C)C)no1 115861886 ZMQPSEVLDWDHDX-UHFFFAOYSA-N 295.471 4.641 30 10 CJEE CCCCCCCCC(=O)C(C)(C)N1CCCCC1 118145113 QCTFTIVALUFWGQ-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1nccn1C 122619877 LTVQXAPPBVFYKZ-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccccc1F 126160595 WTQDHRRXSLIIDZ-KRWDZBQOSA-N 280.431 4.861 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccsc2)c1C#N 128325710 QOYKQGQWNYPRMZ-JTQLQIEISA-N 274.414 4.515 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(C(F)F)c1 131937393 LZTZOORMTXTDLZ-CQSZACIVSA-N 292.716 4.954 30 10 CJEE CCSc1cccc(Oc2cncc(Cl)c2)c1C#N 136719537 YYTDQLGOZNFSPQ-UHFFFAOYSA-N 290.775 4.511 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H](C)COC)NC 143473233 MKLOKRNIMMYKQJ-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](OC)C(C)(C)C 159806750 CIFQBWSLRNUZNL-GJZGRUSLSA-N 257.462 4.516 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccccc1)c1cc(C)ccc1C 162640465 SOEQYOZPBXBSBO-FXAWDEMLSA-N 279.427 4.947 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCO[C@H]1C 165090812 KCAJSOUYMQOITI-GJZGRUSLSA-N 254.414 4.511 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC=C)CC=C 191452677 CISINTBBVXFKGV-UHFFFAOYSA-N 298.430 4.744 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1ccccc1C(F)(F)F 213029357 CIBPJGIOWRYBMW-OAHLLOKOSA-N 296.336 4.535 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 219721924 GIQSKTZRGIEJFJ-ZACQAIPSSA-N 265.485 4.887 30 10 CJEE CCCCCCCCCN[C@@H](C)CC(F)(F)F 232947300 BUBKOEAFUHUBDE-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C=CCCCCCSc1cc(N)ccc1Cl 236327406 BCQSPFYSXYLRRB-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE CC(C)n1cc(C=NNc2ccccc2)c2ccccc21 254441018 CWEMUEWTWHZTML-UHFFFAOYSA-N 277.371 4.668 30 10 CJEE CC(C)n1c(CCC#N)cc2cc(C(F)(F)F)ccc21 260221192 ZYLOQZRKXZEZBV-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE C=CCCCN[C@H](C)c1ccc(Cl)c(Cl)c1 304202303 CGOMMOMLBQUWNJ-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cccc3ccccc23)O1 312465946 WOCIKRKCZZTOHH-ZWKOTPCHSA-N 265.356 4.538 30 10 CJEE C=C(CC)CNCc1cc(-c2cccs2)cs1 313486139 UNEYOVFBOCSQKV-UHFFFAOYSA-N 263.431 4.532 30 10 CJEE C[C@@H](Cn1ccc2cc(C#N)ccc21)C1CCCCC1 313514257 KSRXGROSTNMXEC-AWEZNQCLSA-N 266.388 4.729 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC(F)(F)c2ccccc2)C1 317205544 VMHSEJQCZWBGTN-ZFWWWQNUSA-N 266.331 4.564 30 10 CJEE CC(C)C1CCC(C=O)(Cc2c(F)cccc2F)CC1 317319099 OVDVHXTYSDLFEN-UHFFFAOYSA-N 280.358 4.539 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(C)cs1 379246145 YWLZTHCSPNYYCS-CQSZACIVSA-N 268.470 4.702 30 10 CJEE CC1(C)CN(CC2(CS)CCCCCC2)[C@@H]2CCC[C@H]21 381089876 DDHFISSKTYLEDD-HZPDHXFCSA-N 295.536 4.767 30 10 CJEE C#C[C@](C)(CC)NCc1c(Cl)ccc(Cl)c1Cl 384180367 PVXAKQJNLCXFCQ-CYBMUJFWSA-N 290.621 4.538 30 10 CJEE CCCCCCC[C@@H]1[C@@H](C2CCC2)C(=O)N1[Si](C)(C)C 385381302 ZEIBNSPLEZRFMP-HZPDHXFCSA-N 295.543 4.809 30 10 CJEE C=CC[C@H](CC)N[C@H](c1cccs1)C1CCCC1 393830026 UWUDTJQCIUSAHC-HOCLYGCPSA-N 263.450 4.924 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)CC2CCCCCC2)C1 394641436 VBUAGMYLJHTFQG-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE N#C[C@@H](CNc1ccc(F)c(Cl)c1)C1CCCCC1 397137880 JIPUKXMVHGQFRD-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE C[C@@](C=O)(CC/C=C/c1ccccc1)c1ccccc1 405605418 LJCWSLOPJUZFHS-BEBFYNPSSA-N 264.368 4.637 30 10 CJEE N#CCc1ccnc(Cl)c1-c1cccc(Cl)c1Cl 514261763 QUQJVKBRBVWNEY-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCCNC(=O)N(CCCC)[C@@H](C)c1ccccc1 564408507 VVXBHGBPFPMVSP-INIZCTEOSA-N 288.435 4.526 30 10 CJEE C[C@H](c1cccc2ccccc12)N1CCC(C)(C#N)CC1 575015304 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BVMFSCZZDGKYNU-JSGCOSHPSA-N 262.784 4.533 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1c(C)cccc1C 57686955 VKBPFWWFLXYONN-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCCOc2ccccc2)c1 57695142 FEUKUGCWCFQSFZ-QGZVFWFLSA-N 279.383 4.770 30 10 CJEE COc1cccc([C@H](C#N)Cc2cccc3ccccc23)c1 57739258 QVBGSDWGZLYCPJ-SFHVURJKSA-N 287.362 4.698 30 10 CJEE CCCCCCCOc1ccc2ccccc2c1CN 59295549 JEPWLOUKMINTLB-UHFFFAOYSA-N 271.404 4.648 30 10 CJEE N#Cc1ccc(Nc2ccc(OC(F)F)cc2)cc1Cl 61850802 IKZWIVFZKYVGBO-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE C=CCCCOc1c([C@@H](C)NCC)ccc2ccccc12 71274413 PHNVFJLWPOKOLF-OAHLLOKOSA-N 283.415 4.855 30 10 CJEE CCCOc1ccccc1-c1cc(CC#N)c(C)s1 77094331 CQGCIJZWBFWYQG-UHFFFAOYSA-N 271.385 4.578 30 10 CJEE CC1(C)CCC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 79980743 UTABBMZFKCCBJT-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CC(C)c1nn(C2CCCCC2)c2c1[C@@H](CC#N)CCC2 82825688 GAPDKWYHXWDTGN-CQSZACIVSA-N 285.435 4.845 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2ccccc2Cl)CC1 91877784 GOMVRCDJATUQPB-BLDCVEFLSA-N 291.822 4.658 30 10 CJEE N#CC1([C@H](O)c2csc3ccccc23)CCCCCC1 91883297 FHBNDWPRDPSJTJ-MRXNPFEDSA-N 285.412 4.799 30 10 CJEE C[C@@H]1CCC[C@@H](OCC2(CS)CCCCCC2)C1 94584051 MIJVQLDNWYMFIH-HUUCEWRRSA-N 270.482 4.852 30 10 CJEE CC(C)(C)CCOCC1(CS)CCCCCC1 94586004 SCNYKNJGNAVYKV-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE Cc1ccc(/C=C2\CCC/C(=C(\O)C(F)(F)F)C2=O)cc1 103846116 RPIJWFBHLZPAKM-QQFPHPJOSA-N 296.288 4.506 30 10 CJEE CCCCCCCCCCOc1cccc(O)c1 104166751 AODLDEJCPZXRSX-UHFFFAOYSA-N 250.382 4.912 30 10 CJEE CCCCCCCCCCCCNCc1cc(C)on1 105927845 MYPRUFDNQXEGOO-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ccncc1 106028009 JBPUTPOITDFZPY-UHFFFAOYSA-N 276.424 4.941 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(F)cc(OC)cc1F 110220124 SCGVMAVGYLQENL-MRXNPFEDSA-N 299.405 4.985 30 10 CJEE CC1CCC(N(C)c2ccc(C(F)(F)F)cc2C#N)CC1 110255043 LTCXDHXPCFROLW-UHFFFAOYSA-N 296.336 4.592 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1CCC 115213612 TYKJZTBKVYBQMX-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)C[C@@H](C)O2 115859961 AYFCIAHUIYMLBM-RHSMWYFYSA-N 276.420 4.794 30 10 CJEE CCCCCCCC[C@@H](Cc1c(C)cc(C)cc1C)NN 122156657 CXEFXFZEFJNOTA-SFHVURJKSA-N 290.495 4.737 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(OC)cc1C 122470922 LYYKKYCXPWQLNG-MRXNPFEDSA-N 263.425 4.672 30 10 CJEE C=CCC[C@H](O)c1ccc2cc(Br)ccc2c1 124025642 MPFKEYBRKDSJPY-HNNXBMFYSA-N 291.188 4.602 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cnnn1CCC 125326307 PSVVAYWFXNGIEL-MRXNPFEDSA-N 294.487 4.609 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC 125668580 LFPOVQPKLDQTLR-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CC1(C)CCc2ccccc2[C@H]1Nc1ccc(C#N)cc1 132600634 QTINADQLDYMQTR-GOSISDBHSA-N 276.383 4.684 30 10 CJEE CCCCCCCC[C@H](Cc1cc(C)ccc1OC)NC 133112172 TUFGUIWHADCLHC-GOSISDBHSA-N 291.479 4.885 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](CCC)OC 158221322 KZAWNEBDNNGUQC-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCc1ccc(NCc2ccc(C#N)s2)cc1 161090958 PCDYCIREKSPXDD-UHFFFAOYSA-N 284.428 4.965 30 10 CJEE CC#CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 169067898 REGCVKPOTWMJBY-KURKYZTESA-N 263.469 4.621 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1C 189886958 LWLXWLQAFFVMOH-UHFFFAOYSA-N 283.371 4.692 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCCC[C@@H]2C(C)C)CC1 214732013 XRNYYZYCHQIEGZ-CHPDAQJUSA-N 291.479 4.920 30 10 CJEE CCCCCCCCN(CCC)[C@@]1(CN)CCC[C@@H](C)C1 218850047 FJYDISKIJFVPJI-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SC2CCCC2)C1 219636562 KWCPDOUMXIUYHV-NFAWXSAZSA-N 251.439 4.771 30 10 CJEE N#Cc1cc(F)cc(Nc2ccc(Cl)c(Cl)c2)c1 227605050 ROWHZDPNBPOXRS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCOc1cc(CNCCC)cc(C)n1 228045884 KDGURZGWXAWPRJ-UHFFFAOYSA-N 292.467 4.629 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228180647 DRZNAKGKWXSMAG-LLVKDONJSA-N 295.224 4.701 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@@H](C(C)C)C1 231004006 QBENNWFULNWUHE-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC[C@@H](CC1CCC1)NN 232187949 UDVZBNPSDQDTRM-INIZCTEOSA-N 254.462 4.539 30 10 CJEE C=CCCCCCC(=O)c1cccc(Br)c1 232479222 APJXVKRDFGELOW-UHFFFAOYSA-N 281.193 4.768 30 10 CJEE CC1(C)CCC[C@@H]1Nc1ccc(C#N)c2ccccc12 232777006 HSZXKTCUEUQWJL-KRWDZBQOSA-N 264.372 4.702 30 10 CJEE CCCCCCCCC[C@@H]1NCCc2ccc(O)cc21 232959936 PWSYUGHBZFCUBE-SFHVURJKSA-N 275.436 4.720 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(F)c1)NCCC 233124291 VWLBZAOWPAXBCK-SFHVURJKSA-N 277.427 4.873 30 10 CJEE [N-]=[N+]=Nc1ccc(Br)c(Cl)c1Cl 236030567 PLIWHLRMZHJBBI-UHFFFAOYSA-N 266.913 4.698 30 10 CJEE C=CCCCCCNc1ccccc1C(F)(F)F 236118993 FDNHGAGKCFLZKB-UHFFFAOYSA-N 257.299 4.864 30 10 CJEE CC(C)Cc1ccc([C@H](O)[C@@]2(C#N)CCC[C@H](C)C2)cc1 251639970 FCWQWKHWONWKQK-SNRMKQJTSA-N 285.431 4.639 30 10 CJEE CCCCN(CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252437444 VVTFBPOUNVNOAM-YESZJQIVSA-N 278.484 4.853 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@@]2(C#N)CC[C@H](CC)C2)CC1 252544784 IQZNZAPZVFAFKN-XWTMOSNGSA-N 277.452 4.818 30 10 CJEE CC(C)[C@@H](C#N)Cc1nc(C2CCCCC2)cs1 259107330 AYEWYLLEFLXVDJ-CYBMUJFWSA-N 262.422 4.529 30 10 CJEE COc1cccc(C2(C#N)CCCCC2)c1C(C)C 260816333 IBFAIAPSFXIHRZ-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE CC(C)NC[C@H](CCC#CC(C)(C)C)c1ccccc1 312201924 GTWMDVBKTNBLDG-SFHVURJKSA-N 271.448 4.598 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(CC#N)c1 313406524 DTMJMEZKGCJFBT-OAHLLOKOSA-N 258.409 4.914 30 10 CJEE C=CCCC1(CNCC(C)C)CCC(C)(C)CC1 318449928 BJXNUMHYMGBDNV-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@H](C)NCc1csc(CC)n1 328198321 FKNRGMCKGNZNNS-CYBMUJFWSA-N 268.470 4.544 30 10 CJEE CCCCCCCCCS[C@H](C)CCC(=O)O 385988186 KIKHKCASGWHYTB-CYBMUJFWSA-N 260.443 4.724 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CC[C@@H](CC)C1 388790442 MOHKCYQDNCVIRF-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCN[C@H](C)CCOCc1ccccc1 389909508 IWQREBMLXYSMFH-GOSISDBHSA-N 291.479 4.932 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccccc2)s1 393741246 HCUJLJPAVCFGGF-OAHLLOKOSA-N 271.429 4.859 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2ccc(Cl)c(Cl)c2)O1 394108019 KRGZQPIAGCFUCU-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE CCCCCCCCCCC/C=C(\C)COCCN 395516930 XNBDUYPNRKIHLB-GHRIWEEISA-N 269.473 4.829 30 10 CJEE N#C[C@H](CSc1ccc(Cl)cc1)C1CCCC1 397393403 YWURUTLMDIGYCF-GFCCVEGCSA-N 265.809 4.762 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(C)cc1)[C@H]1CC1(C)C 397686259 LPKBWATYLPJHAA-RDJZCZTQSA-N 256.393 4.516 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCc2sc(Cl)cc21 398076553 BUGARAWLDMDRCM-JQWIXIFHSA-N 269.841 4.723 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)CCc1cccc(C)c1 398187566 QLVNQRDIPWOWHA-IAGOWNOFSA-N 259.437 4.651 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cncnc1C 398731289 MMZSFPJCLKJFMR-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE CCCCCCCCCC(=O)CC[C@H]1CCOC1 401068811 QXWCOAFAADTGES-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE N#CC1(COc2ccc(Cl)c3ccccc23)CCCC1 405155438 JOGMFDRHLNPIHS-UHFFFAOYSA-N 285.774 4.956 30 10 CJEE C[C@H](NCC1(C#N)CCCC1)c1ccc(Cl)cc1Cl 405173400 PSJKKACWAKTCFJ-NSHDSACASA-N 297.229 4.728 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C2=CCCC2)cc1 620303644 YQNNYRYRDMASBE-KDURUIRLSA-N 293.410 4.577 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)CC1CCCCC1 689751393 ITLTWHPOCONWIL-SEYXRHQNSA-N 264.218 4.535 30 10 CJEE C=CCC1(Nc2nnc(Cl)c3ccccc23)CCCC1 690722560 LIPMYKOHYHCRLU-UHFFFAOYSA-N 287.794 4.584 30 10 CJEE N#CC[C@@H](Nc1cc(Cl)cc(F)c1F)c1ccccc1 690989333 XRWRKSUCWIRMKY-CYBMUJFWSA-N 292.716 4.685 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nccc2sccc12 692226300 DWEYIOXIUNYKLB-JSGCOSHPSA-N 272.417 4.843 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1c(Cl)cccc1[N+](=O)[O-] 692249954 BCGBAMQVVZIAAS-WCQYABFASA-N 294.782 4.795 30 10 CJEE CCCCCCCCC[C@@H](N)c1csc(CC)n1 695372577 AMPLLVSYMQTMHU-CYBMUJFWSA-N 268.470 4.846 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](CC)NC 695607481 FZZQZIAPSUJEAF-SJORKVTESA-N 271.489 4.656 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@H](C)[C@H]3C)C[C@@H](C1)C2 697305571 ZHVVXCAMIJGWCA-FSNBDZARSA-N 261.453 4.536 30 10 CJEE C#C[C@@H](Nc1nc(Cl)c(Cl)cc1Cl)C(C)(C)C 702304100 FCQIUQZOXFPLJW-SECBINFHSA-N 291.609 4.502 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)CC1CCCCC1 703961819 RBYLCPANDPMYFJ-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@@H](C)CC(C)(C)C1 704038996 SQUBMLCFYSBALN-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(F)cc1C(F)(F)F 705570098 BVJWVESMKJMKMD-JTQLQIEISA-N 289.316 4.707 30 10 CJEE CCCCCCCCCCNC[C@H](C)[C@H]1CCCCO1 712063796 XXMWOTQANIXDML-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C(C)CCC(=O)c1ccc(Cl)cc1C(F)(F)F 712540164 KKNFIQROMOCBMU-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE CCCCCCC[C@H](CC(C)(C)COC)NCCC 712628246 YPIAZSPFMAUYKX-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC(C)(C)CO2)CC1 714100951 UICWMZFLCPMHOE-UPTPFMHGSA-N 280.452 4.757 30 10 CJEE C=CC[C@H](C)c1ccc(Br)c(Cl)c1F 715813748 LLNUOCJKGQNWPD-ZETCQYMHSA-N 277.564 4.921 30 10 CJEE C=C1CCC(C[C@@H](NN)c2cc3sccc3s2)CC1 724578538 FHJXTXKSVFKUQK-GFCCVEGCSA-N 292.473 4.604 30 10 CJEE Cc1ccc(C)c(N=Cc2ccc(Br)s2)c1 1084599451 OHXVJBRQROWDRK-UHFFFAOYSA-N 294.217 4.878 30 10 CJEE CCC[C@@H](C)/C(=N/C)Nc1ccc(Cl)c(C)c1 1088738440 YWRYOOUUJRAPAB-SNVBAGLBSA-N 252.789 4.525 30 10 CJEE C=C(C)CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 1168713077 TXZMCPWKQXSOOD-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE C=CCOc1cccc(CNCC2(C)CCC(C)CC2)c1 1178634311 KSMDZXDQZGZLIM-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCC(C)(C)CNc1nc2c(C)cc(C)cc2s1 1186557637 ZEPXFYVJUXTRGU-UHFFFAOYSA-N 274.433 4.927 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@H]1CCC[C@@H]1CCCC 1226528925 WJWOMXZPUMIKRL-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C=CCC(CC=C)C(=O)N1CC[C@@H](C)c2cccc(C)c21 1273867736 QGCRLKBJUQWELF-CQSZACIVSA-N 283.415 4.604 30 10 CJEE C=CCC1(C(=O)NCCCCCCc2ccccc2)CCC1 1279521778 AGGRPYUCNUQYIT-UHFFFAOYSA-N 299.458 4.652 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CC)[C@H]1CCCCO1 1308840532 OAGUBBCQGZQXJU-YESZJQIVSA-N 269.473 4.673 30 10 CJEE C=CC1(CC(=O)N[C@H](C)CCc2ccccc2)CCCCC1 1348482000 REWGRERRMOONFP-QGZVFWFLSA-N 299.458 4.651 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CCc2ccccc21 1353035911 OGPYIQRPJKCWOG-QGZVFWFLSA-N 285.431 4.515 30 10 CJEE C=CC1(CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1 1354088388 BEYZGKJQJAZWMI-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCCCCCN(C)C(=O)c1coc2ccc(CC)cc12 1456672607 XAKHDQSGHFRJHS-UHFFFAOYSA-N 299.414 4.814 30 10 CJEE C=CCCCCN(CCC)[C@H]1C[C@H](OCC)C12CCCC2 1459532330 MKJTWHMASLGRFC-ROUUACIJSA-N 293.495 4.793 30 10 CJEE C=C(C)CN(C)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1461723307 MPFLXMPQHKWKHF-INIZCTEOSA-N 293.838 4.504 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@@H]1CCC(C)C 1462278206 OJMDGXJZGNBROQ-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC1(CC(=O)N2CCCC2(CC)CC)CCCCC1 1462580966 PODNYGZXNQCKAW-UHFFFAOYSA-N 277.452 4.694 30 10 CJEE C=CC[C@@H]1N(C(=O)NCC[C@@H](C)CCC)CCCC1(C)C 1479195663 GQDKPSJGHUAJSL-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc2ccn(C(F)F)c2c1 1527944704 IYEOJLRCRLYFAI-NSHDSACASA-N 292.329 4.577 30 10 CJEE C=CCCC1(CNC(=O)[C@@](C)(F)CCCC)CCCC1 1528541692 MWFRZKWAWFNXLG-INIZCTEOSA-N 283.431 4.548 30 10 CJEE C=CCC1(NC(=O)c2cc3sccc3s2)CCCC1 1532276603 LYAANOILOMKQMZ-UHFFFAOYSA-N 291.441 4.582 30 10 CJEE N#Cc1ccc(SCC2=CCCC2)cc1C(F)(F)F 1559393418 UJVVNIWSLPZDQZ-UHFFFAOYSA-N 283.318 4.779 30 10 CJEE CC(C)c1ccc(CN(C2CC2)[C@@H](C)C#N)c(C(C)C)c1 1559979816 CKVLEVKSYBSUPC-HNNXBMFYSA-N 284.447 4.810 30 10 CJEE C=CCCCCN[C@@H](C)c1csc2ccccc12 1560209744 WRHVATOVHFHPMT-ZDUSSCGKSA-N 259.418 4.908 30 10 CJEE C#C[C@H](N[C@H](C)Cc1ccc(-c2ccccc2)cc1)C(C)C 1560816714 BPZUOTSXKRZLAK-UTKZUKDTSA-N 291.438 4.532 30 10 CJEE C=CCC1(NCc2cc(Cl)c(F)cc2O)CCCCC1 1560832486 DMLNYANWLTZHBC-UHFFFAOYSA-N 297.801 4.553 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1OCc1ccccc1 1585232354 SKMGKDRBMQJVGG-UHFFFAOYSA-N 295.382 4.560 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)CCCCC 1586139237 AEUZEFSOOLVUJQ-BBWFWOEESA-N 279.468 4.844 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)cc2)cc1C(F)(F)F 1614827314 UNKMOMIIWJFPNX-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCSC1CCCCC1 1620414773 IPQMSDCQIYSHMW-DOTOQJQBSA-N 281.509 4.777 30 10 CJEE C=C1CCC(CNC(=O)c2ccc(C(C)(C)C)s2)CC1 1625699423 DJMLZIFNBGCPQF-UHFFFAOYSA-N 291.460 4.522 30 10 CJEE C=CCCN(CCC)[C@@H](C)c1ccccc1Br 1644353195 BWHYOSCEBXHYPY-ZDUSSCGKSA-N 296.252 4.798 30 10 CJEE C=CCN(Cc1ccc(Cl)c2ccccc12)C(C)C 1644430481 NIZAUCIUDGPRGL-UHFFFAOYSA-N 273.807 4.890 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC[C@@H](CCC(C)C)C1 1651125300 MQPHHTAZSPUDOU-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccccc2C1 1651319221 FEVZKZDPAUVLEW-MISYRCLQSA-N 283.459 4.659 30 10 CJEE C=CCCCCCN[C@@H](c1ccccc1)C1CCC1 1653764281 AXGOKUIMSUIZNJ-SFHVURJKSA-N 257.421 4.864 30 10 CJEE CCCCCCCCN1CCc2cccc(C)c2C1 1654130398 PHHOJSIMYMKDCK-UHFFFAOYSA-N 259.437 4.714 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 1654177600 FXHJJEAVBIFKNZ-LBPRGKRZSA-N 284.230 4.782 30 10 CJEE C#CC[C@H]1CCCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 1654838347 VIZZKDPWUNQIQF-STQMWFEESA-N 296.241 4.790 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1c1ccccc1C 1657011435 JNSKXVZSLQAARM-LJQANCHMSA-N 269.432 4.716 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(OC)c2ccccc12 1657933823 OPDIZYQUVBKPHG-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)C[C@H](C)CC(C)C)cc1 1658077519 NFRJCZQYJPDBCZ-SJORKVTESA-N 289.463 4.802 30 10 CJEE C=CCC[C@@H](C)NCC1(Cc2cccc(Cl)c2)CC1 1659995416 YECDJYDZFKNAKA-CQSZACIVSA-N 277.839 4.607 30 10 CJEE CCCCCCC[C@H](C)NCC(C)(C)C1CCOCC1 1660092107 MFFDLYNVMHLBFO-INIZCTEOSA-N 283.500 4.778 30 10 CJEE C=CCn1ncc2ccc(NC3CCCCCCC3)cc21 1660107610 RKIMJLCUYDWGSE-UHFFFAOYSA-N 283.419 4.747 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1665000599 QOMIDIHKTXBUFI-NVXWUHKLSA-N 277.839 4.607 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 1682209185 IIVZHFBSGOYFTN-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE CC#CCCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 1879645983 AZIFYUAIXREQTL-CYBMUJFWSA-N 288.334 4.526 30 10 CJEE CCCCCCCCCN1CC[C@H](CC)CCC1=O 1883427254 DVEXWQNJFDSBEV-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCCCCN(CC)[C@H]1CCCOC1 1883835400 QONLABKZUMJYOJ-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=C1CCC(CN(CC(C)C)c2ccccc2)CC1 1884406833 HWJMPENWGXVZIU-UHFFFAOYSA-N 257.421 4.895 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H](CC)CC(F)(F)F 1885226165 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271.395 4.536 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(C(F)(F)F)c1 2102102427 CNMPMQBECJGMOZ-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1csc(C(C)C)n1 2102102806 GBGKKPMTMBZACH-HIFRSBDPSA-N 280.481 4.910 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1c(F)cccc1F 2102103554 ITIRYDZOYVIQOQ-WBMJQRKESA-N 267.363 4.608 30 10 CJEE C=CCC[C@@H](C)[C@H](N)CC12CC3CC(CC(C3)C1)C2 2102110738 INFKCZPETGSCQK-IXRCJPEJSA-N 261.453 4.523 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)C1CCC(F)(F)CC1 2102269416 BKXWQRXEJPOXRR-CQSZACIVSA-N 273.411 4.782 30 10 CJEE C=CCC1(NCC2CC3(C2)CC(C)(C)C3)CCCC1 2102603133 GVSHWBKQCSGGOM-UHFFFAOYSA-N 261.453 4.681 30 10 CJEE C#CCCCCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1 2103217090 OVBIJJPGELDDPG-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)(C)C)CC=CCC1 2103897746 OBRWEHUQKVFCDW-GOSISDBHSA-N 261.453 4.685 30 10 CJEE CCCCCCCOC1(CC)CCC(NCC)CC1 2105160598 UXYFZVVWVWUXAX-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](N)c1c(C(C)C)nn(C)c1Cl 2107787981 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C=C[C@](C)(CNCC(C)C)C[C@@]1(C)CCCC1(F)F 2111694423 UWXNBUIPYHWELL-LSDHHAIUSA-N 273.411 4.640 30 10 CJEE C=CC1(C[C@H](O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 2111723481 VNSCGLPABHGQER-TWMKSMIVSA-N 262.437 4.700 30 10 CJEE O[C@@H]1CCCCCCC[C@@H]1CC#CC1CCCCC1 2112477989 BKLAOGNJFQFTCE-QZTJIDSGSA-N 262.437 4.682 30 10 CJEE CCC1(CC)CCC(N(C)CCC(C)(C)C#N)CC1 2114951378 ARNLFJFCTOYGHV-UHFFFAOYSA-N 264.457 4.607 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1CCCC(F)(F)C1)NCCC 2116657881 JOXDSDSGQGIAFF-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C#CCCCC[C@H](NC)C1CCC(CCCC)CC1 2116844912 KYSYXZCEWQIGLR-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE O=C[C@@]1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCCC12CCC2 2117038580 BQCBGAUWPBBNLG-LHHMISFZSA-N 260.421 4.742 30 10 CJEE CC(C)c1ccccc1C[C@]1(C=O)CCCC12CC2 2117056170 UQRCXIKBTCQFHY-SFHVURJKSA-N 256.389 4.502 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C(F)(F)[C@H](F)C(F)(F)F 2118556710 POEWIMJXFJLVED-WCBMZHEXSA-N 287.247 4.632 30 10 CJEE C=CCCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1O 2123084450 LGHKMJHCUXZUMA-RCCFBDPRSA-N 258.405 4.678 30 10 CJEE C=C1CC([C@@H](C[C@H]2CCCCC2(F)F)NCCC)C1 2125661065 DUKZNCMWBFZQEL-HUUCEWRRSA-N 271.395 4.536 30 10 CJEE C=C1CC(C[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C(=O)O)C1 2125702563 ARXOFTGYWVPKAQ-RBSFLKMASA-N 264.409 4.506 30 10 CJEE C=C1CC(C[C@H](NCC)c2c(F)ccc(F)c2Cl)C1 2125739996 UCCZJQUBQLIRNO-ZDUSSCGKSA-N 285.765 4.625 30 10 CJEE O=C[C@]1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC12CC2 2126993514 GUUXUFPFRVWYPT-XLMAVXFVSA-N 260.421 4.742 30 10 CJEE C=CC1(C[C@H](NCC)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1 2127042496 SIAKHMQGXCTAFB-YVSFHVDLSA-N 261.453 4.537 30 10 CJEE Cc1cc(C#N)cc(NCCC(C(C)C)C(C)C)c1 2132733585 BVGHVMBFOCVMAN-UHFFFAOYSA-N 258.409 4.597 30 10 CJEE N#Cc1cc(Cl)ccc1N1CCC12CCCCCC2 2134025456 POOZGWPEVNKXJG-UHFFFAOYSA-N 274.795 4.515 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H]2C[C@@H]2C2CCCCC2)CC1 2135695553 HZJBYQKLDSLNHS-KZNAEPCWSA-N 261.453 4.667 30 10 CJEE CCCCCCCCO[C@H](C)CCCNC1CCC1 2137860480 DMMZYNPEZMEOAB-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H]1CCCC12CCC2 2138956996 QVIBUQHEOOLTMR-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCC#CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2139047847 FCDDMNBCRCKBPU-GVDBMIGSSA-N 260.421 4.746 30 10 CJEE CCCCCC#CC[C@@]1(N)C[C@H](C)CCC1=C(C)C 2139060901 XXGNAQLPSRHDPU-SJLPKXTDSA-N 261.453 4.814 30 10 CJEE CC1(C)C[C@@H](Nc2cc(Cl)c(F)cc2C#N)C1(C)C 2140218263 CMLLKGQSECDTSF-CYBMUJFWSA-N 280.774 4.587 30 10 CJEE C=CCCCCCC[C@](C)(O)Cc1ccc(C)cc1 2141923056 KSQODCWOHAFSBO-SFHVURJKSA-N 260.421 4.815 30 10 CJEE C=CCCCCCCCCCN1CCC(CF)CC1 2142388282 IWLHRABHINOYLP-UHFFFAOYSA-N 269.448 4.975 30 10 CJEE C#CC[C@H](NCCCCCCCCCC=C)C1CC1 2142444608 WDWSIIHTMOBRRS-SFHVURJKSA-N 261.453 4.685 30 10 CJEE C=CCCCCC[C@H](N)[C@@H](O)CCCCCCCC 2142461890 CVVNEAYJGUTBMW-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE CCCCCCCCCCN1C[C@H](NCC)C[C@H]1CC 2145087952 KAMSOZKAVBPKLB-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCNCC12CC(CO1)C2 2145389401 BMHVHRKENMJYAT-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE C#CCC1(Nc2ccnc3cc(Cl)ccc23)CCCC1 2146192202 PFCQTTDLNPUUQZ-UHFFFAOYSA-N 284.790 4.636 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC1CC(C)(C)C1 2147020780 MJMJJLWPNCJJFV-MRXNPFEDSA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)c1ccc(C)cc1Cl 2147673678 ACAOCQBUCOFPTR-DLBZAZTESA-N 297.870 4.630 30 10 CJEE CCCCCCC[C@@H](NC)C(O)(CC(C)C)CC(C)C 2148586230 HUYDJKXJLIBUHE-QGZVFWFLSA-N 285.516 4.758 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@@]1(C#N)CCCC1(C)C 2149427762 JNYGFFAYYMTITC-HNNXBMFYSA-N 292.766 4.528 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)[C@@H]1CCCC1(C)C 2149856720 AUIYYJWUIDLQEQ-ROUUACIJSA-N 275.480 4.765 30 10 CJEE C=CCSc1ccccc1NCC(C)(C)[C@@H]1CCCO1 2151430669 BNWXHROPWOMPQU-INIZCTEOSA-N 291.460 4.582 30 10 CJEE N#Cc1cc(Cl)nc(N[C@@H]2CCCC3(CCCC3)C2)c1 2151825466 IOUQCHPYUGSUBI-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CCCCCCCCCC(=O)c1cnc(OC)cc1C 2151936870 QLHYNAJYUMTZCX-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE Cc1cc(CO[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1C#N 2153519855 UFDXLWFMCNGIAA-SUMWQHHRSA-N 271.404 4.598 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](NC)C1CC(C)(C)C1 2153870054 YOQUIZNAWSICEO-IAGOWNOFSA-N 283.500 4.512 30 10 CJEE C=CCCCCC[C@@]1(N)CC(C)(C)Oc2ccccc21 2154636513 CWCRQUKYNFVORW-GOSISDBHSA-N 273.420 4.538 30 10 CJEE C[C@@](N)(CC#CC1CCCCC1)c1c(F)cccc1Cl 2154701154 MMUCZVSXAZSAMC-QGZVFWFLSA-N 293.813 4.627 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@H](CCN)C1 2156468192 HGUIENVFMYKULR-MSOLQXFVSA-N 282.516 4.624 30 10 CJEE C=CCC[C@H](C)[C@](C)(O)c1oc2ccccc2c1CC 2158315713 DTFMSKGXCFYPCG-UGSOOPFHSA-N 272.388 4.805 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](N=C2N[C@@H](C(C)(C)C)CS2)CC1 2159431497 QKXXSYVMBUUYOD-RBSFLKMASA-N 296.524 4.698 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(-c2ccccc2)cc1 2161412542 BLCBXOOLRWCBPR-LJQANCHMSA-N 265.400 4.970 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H](CN)CCC 2164050766 QAOXZCZCRMKCIZ-ZWKOTPCHSA-N 284.532 5.000 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccccc1C1CC1 2164476640 AYWCVFQZVJXETL-ZWKOTPCHSA-N 271.404 4.708 30 10 CJEE Cc1nc(C[C@]2(C#N)CCC23CCC3)sc1C(C)(C)C 2166801095 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30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@](C)(O)CCCC 2207392390 QBSKIISMNZFCRT-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cn(CC)cn1 2207433656 BXFLRAIUJFIUCL-QGZVFWFLSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC[C@@H]1CCN 2207434671 DIXAZWLMOIOVCY-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H](N)c1cccs1 2207437527 QQJCSQIGLLFVJS-WBVHZDCISA-N 295.492 4.806 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@H](C)N(C)C 2207438598 UCQVRZZYSLHREP-ZWKOTPCHSA-N 282.516 4.612 30 10 CJEE CCCCCCCCCNc1ccc(F)c(C(=O)O)c1 2207448054 ZGMKHCZLGGCDQK-UHFFFAOYSA-N 281.371 4.686 30 10 CJEE CCCCCCCCCOC[C@@H](CS)C(C)C 2216953245 XLCITFYKUOZDSA-HNNXBMFYSA-N 260.487 4.956 30 10 CJEE CC1CCC(C#N)(C[C@H]2CC[C@H]2C(F)(F)F)CC1 2217721068 VGYJFGDHJOWLDV-QZQSVVMZSA-N 259.315 4.685 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1CC(F)(F)C1 2220083754 IKIAIJGXDSDFIH-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CCC(F)(F)C1 2220087635 JLGRZSAQTOMKTR-KBPBESRZSA-N 259.384 4.666 30 10 CJEE 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CC1(C)CCC[C@@](C#N)(c2ccnc(C(C)(C)C)c2)C1 2289229494 CPBZVYYCAQRXMO-GOSISDBHSA-N 270.420 4.741 30 10 CJEE CC[C@@]1(C)CSC(=Nc2cccc(C3CCCC3)c2)N1 2289265962 AGTDKEMEOCNDOZ-KRWDZBQOSA-N 288.460 4.837 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1CC(C)=C[C@@H](C)C1 2289615908 BZYHSLYSWADKBF-ATZDWAIDSA-N 273.464 4.541 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1(C2CC2)CCCC1 2289904118 IAONNPVFBRZCQR-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H]1CC=CCC1 2291574049 SOZVPJGPCHHUHC-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)C(CC)CC 2291812098 ZWDPGBGQJGTVOZ-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CCC[C@H]1C 2292786183 BXEOZRAFFBKAEX-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCCC[C@@H]1CC 2292882372 NJIFUFQNMZERSD-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C)CC[C@@]1(OCCN)CCC[C@@H](C(C)(C)C)CC1 2292906883 AURHZIKDSPAWFE-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](OCCN)C1=CC[C@H](CC)CC1 2293273081 YBJLPDIUQQGOOB-FUHWJXTLSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1CC(C(C)C)C1 2293543214 SYHHRMNAJVOREX-DAWZGUTISA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H](F)C1)OCCN 2294252936 WUYKPCQHUUWLFS-IXDOHACOSA-N 287.463 4.609 30 10 CJEE C#CCCCCC[C@H](Cc1ccc(Cl)c(F)c1)NCC 2295175927 UQCYJJPXJKPZQC-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1CC[C@H]1OC 2295670873 KJZOEFDXKWEYMP-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1cscc1C 2295673669 JXAFTILBKHDAGJ-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(Cl)c(Cl)c1C 2301231228 WQVSRKZMIBVDLL-OTYXRUKQSA-N 273.203 4.938 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(C(F)(F)F)s1 2304084845 ZCDRDXUWTGSOBI-UHFFFAOYSA-N 262.296 4.552 30 10 CJEE C=CC[C@H](C)Sc1ccccc1CN[C@@H](C)CC 2313700607 AVUHSWWXHNZQQI-KBPBESRZSA-N 263.450 4.631 30 10 CJEE C=CCC(C)(C)CNCC=C(C)CCCC(C)C 2316489360 FJVVJEQFZVDRRF-UHFFFAOYSA-N 251.458 4.951 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCC(C)(C)C1 2319068174 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2341926306 KLNFUVZNOGSCPL-CQSZACIVSA-N 261.340 4.579 30 10 CJEE C=CC[C@H](C)C(=O)[C@H](c1ccccc1)C1CCCC1 2342372657 HSZGQXMJWDBKFV-WMLDXEAASA-N 256.389 4.742 30 10 CJEE CC1=C(C)C[C@@H](C[C@]2(C#N)CCOC(C)(C)C2)CC1 2343390574 WMYLZXBLJQEXDF-DOTOQJQBSA-N 261.409 4.612 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(CCC)c1 2344344176 HMBCTXMTZHOSTA-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cc(F)ccc1Cl)NCC 2344346392 SDHGQASTPHCEDZ-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCCCCOC(C)(C)C 2344457544 PBVVDKGFCZHDDO-WBVHZDCISA-N 270.457 4.715 30 10 CJEE CSc1cc(N[C@H]2CCCC(C)=C2C)ccc1C#N 2353827830 SDKMCUVGDMGQRX-HNNXBMFYSA-N 272.417 4.581 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H]1CCCCC12CCC2 2353841759 SDIDBBARUHEFIB-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N 36138597 MAYFKQNUUKZUEG-CZUORRHYSA-N 274.383 4.714 30 10 CJEE C=CCCC[C@@H](O)C(c1ccccc1)c1ccccc1 36406753 YJNMWFWTVGTOJA-GOSISDBHSA-N 266.384 4.536 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCc3ccccc32)C1 37146403 BLRXGTLVAPXTOF-HHXXYDBFSA-N 282.431 4.548 30 10 CJEE Cc1cccc([C@H](C)Nc2ccc(C#N)c(Cl)c2)c1 37253381 VEFHJHSVAWSAOO-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 37935581 FZWHERNQPLXJPT-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE CCCCCN(C(=O)C(C#N)(CCC)CCC)C(C)C 44826634 ODZSWCWNHONMJG-UHFFFAOYSA-N 280.456 4.524 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Sc1cccc(Cl)c1 54185545 JDZUMUPZUALHLA-MFKMUULPSA-N 251.782 4.514 30 10 CJEE COc1cc(Cl)c(C)cc1N[C@@H]1CCCCC[C@H]1C#N 54823181 MPFNSFPXSMGUOV-GXTWGEPZSA-N 292.810 4.541 30 10 CJEE CC(C)c1cccc(N[C@H](CC#N)c2ccccc2)c1 55016176 PENDLUCJPVQLKO-GOSISDBHSA-N 264.372 4.877 30 10 CJEE Cc1cccc(C)c1OCC[C@H](C#N)c1ccc(F)cc1 57685716 LPPJRNKHXRKAIY-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)c(C(=O)O)c1 59462102 DBAZGFKNOIZLSE-LBPRGKRZSA-N 281.371 4.685 30 10 CJEE CC[C@@H]1CCCC[C@]1(C#N)Nc1ccc(Cl)cc1 71162347 OAQYIELMWICPPH-IUODEOHRSA-N 262.784 4.614 30 10 CJEE 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Cc1cccc(NC2(C#N)CCC(C(C)(C)C)CC2)c1 110028723 DYISEKDRHHQPTG-UHFFFAOYSA-N 270.420 4.906 30 10 CJEE CC[C@@H](C)Oc1cccc(Nc2ccc(C#N)cc2F)c1 110258064 ABJHHOZTCJMPPJ-GFCCVEGCSA-N 284.334 4.618 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1ccc(F)cc1F 110354231 VOBXLGIMKYJWJW-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccn(C(CC)CC)n1 113997471 IAEXHRUETXVNOU-QGZVFWFLSA-N 280.456 4.508 30 10 CJEE CCCCCCCCCCCCOC(C)(C)CN 114800470 ZQKZMRWFCZYSAL-UHFFFAOYSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCc1nnc([C@@H](CC)NC)s1 115276410 HYFYTMIFWZPIBT-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CCCCCCC[C@@H](N)CSc1ccccc1F 116676911 MXXTUATWKPVWCJ-CYBMUJFWSA-N 269.429 4.606 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(C)cc1O 129373516 XDPAMDKFUTYZFJ-UHFFFAOYSA-N 291.435 4.571 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)cc(Cl)c1 130906053 NGZDQEABLAJNQI-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE Cc1c(F)cc(C#N)cc1NCc1ccc(C(F)F)cc1 131343008 KDALGLZPRYEUTL-UHFFFAOYSA-N 290.288 4.556 30 10 CJEE CCCCCCC[C@H](O)c1csc(C(C)(C)C)n1 133745271 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273.754 4.610 30 10 CJEE C=CCC(C)(C)C(=O)c1c(Cl)ccc(Cl)c1OC 2321125370 RLUDMWDPOYBSIX-UHFFFAOYSA-N 287.186 4.787 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CCCC1)NCCC 2321131533 RVHVAKRKUWOXFN-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CC(C)C[C@H](C#N)C(=O)c1cc(F)c(Cl)cc1Cl 2326714039 YUGDHQQTEQOCCN-MRVPVSSYSA-N 288.149 4.501 30 10 CJEE CCCCCCC[C@](C)(N)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329756421 INUSZCGNKBMOGW-XGUBFFRZSA-N 273.411 4.746 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCC12CCC2 2329866781 ULLMWMLQKNASJY-XFMPKHEZSA-N 265.347 4.532 30 10 CJEE N#C[C@@]1([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CC2 2330443496 UHTLYCLCTMRTRV-GUIRCDHDSA-N 265.347 4.532 30 10 CJEE C=CCC(CC=C)NCc1c(Cl)oc2ccccc12 2335113671 HKUMFVOGHPBPLX-UHFFFAOYSA-N 275.779 4.697 30 10 CJEE CCCCCCC[C@H](NN)c1c(F)ccc(C)c1Cl 2335427635 IQFWITDCBPHLGB-ZDUSSCGKSA-N 286.822 4.652 30 10 CJEE C=CCC(CC=C)[C@H](CC1C[C@H]2C[C@@H]2C1)NCCC 2338749864 NAOKFYHZMNHCSH-BZSNNMDCSA-N 261.453 4.559 30 10 CJEE Cc1c([C@@H](O)[C@@]2(C#N)CC=CCC2)ccc(Cl)c1Cl 2340460440 QXNQKSMJSCJZDK-CABCVRRESA-N 296.197 4.585 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2341883420 IYPYWKSPOLDPPW-GWCFXTLKSA-N 289.728 4.586 30 10 CJEE C=C1C[C@H]1[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341888619 KXENZBMZXQVURY-DISONHOPSA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C(F)F)c1F 2341926462 MAALPRXXIYVDAI-CYBMUJFWSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)N(C)Cc1cccc(C(C)C)c1 2343782924 WEVHRAIHSOXWNA-UHFFFAOYSA-N 257.421 4.763 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CC2(CCC2)C1)NCC 2344339456 JJANHYWUPVSAMX-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCCC(F)(F)C1)NCCC 2344341953 GGWVOGGNISXJNN-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC 2344344276 RSRMOPNSHYKPCN-MHORFTMASA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1nc(C)c(C(C)(C)C)s1 2344344980 KYBMIPZPOJHXLO-WBMJQRKESA-N 280.481 4.741 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 2344349153 QJJOYHCDARYDFH-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(C)cc(C)cc1C 2344349811 WHDGPRUWHWOTSE-QZTJIDSGSA-N 259.437 4.865 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CC12CCCC2)NCCC 2344350158 ZJQDBPBPLHRADV-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(F)c(Cl)c1F 2344354702 BHLRUZQBVWDCHW-CABCVRRESA-N 287.781 4.871 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CCCC(F)(F)C(F)(F)F 2344379321 IPISXOPDJBZQDS-GHMZBOCLSA-N 287.316 4.674 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc2ccccc2c1 2344467466 MBXCOJGAXVGODV-MSOLQXFVSA-N 254.373 4.866 30 10 CJEE C=CC[C@@H]1CCCCN(CC[C@H]2CCC(C)(C)C2)C1 2344855097 RBQZPRDHGUWUHK-IAGOWNOFSA-N 263.469 4.881 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCC(C)(C)C1)NN 2344891858 ODXZMMFJMYHRNY-HZPDHXFCSA-N 268.489 4.785 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccnc(C(C)C)c1 2353586689 JPKVIFOBVBYFSE-MRXNPFEDSA-N 260.425 4.731 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(F)cc1SC 2353819044 QXPYOGCUOPCGCB-LRDDRELGSA-N 281.440 4.801 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](COC)C1 2355999228 QSBDFNZYJGRLTH-RCCFBDPRSA-N 284.484 4.941 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 2358137236 HUOMOYFYWQHXSU-AKHDSKFASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCC[C@@H]1C[C@H]1C 2358948111 OTSALAHAVKPERN-JFIYKMOQSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CC[C@@H]2C[C@H]1CO2 2359108806 JWLJLAOLCKAQDG-MHORFTMASA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)Oc1ccccc1[C@H](C)NCCC 2360219408 IIGKWJBTNDEGGQ-HNNXBMFYSA-N 273.420 4.647 30 10 CJEE Cc1cc2ccccc2c(/N=C/c2cccs2)c1C#N 145678 CJYWLNLQOPGFKD-YBFXNURJSA-N 276.364 4.832 30 10 CJEE CCCC1CCC(Nc2ccc(Cl)c(C#N)c2)CC1 37883075 LNPHTSUKHKVWMU-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C)c(CNc2ccc(C(C)(C)C#N)cc2)c1 49670170 IDWRQHCFOABKSU-UHFFFAOYSA-N 278.399 4.717 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C)c2ccc(Cl)s2)c1 51579796 SDXKGTRVETXEJR-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(OC)ccc1OC 59290700 DJBVPJFBMXSYEB-KRWDZBQOSA-N 293.451 4.715 30 10 CJEE N#Cc1ccc(Sc2ccc(F)c(F)c2)cc1Cl 61855636 TVQWLRXULSYHEY-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426662 YBMRRMAETQZFJR-DMDPSCGWSA-N 280.824 4.546 30 10 CJEE C=CCCCn1c(C)c(C)c2cc(CNCCC)ccc21 80053092 BTCFEBATZFXHJK-UHFFFAOYSA-N 284.447 4.724 30 10 CJEE N#CC1(Cc2ccc(Br)cc2)CCCCCC1 87945828 MJVRZKRWGMSMJH-UHFFFAOYSA-N 292.220 4.856 30 10 CJEE N#CCC1(COc2c(Cl)cc(Cl)cc2Cl)CC1 88272117 SHTCTKMFYGUDMG-UHFFFAOYSA-N 290.577 4.719 30 10 CJEE SCC1(Cn2c3ccccc3c3ccccc32)CCC1 94586246 PVEIJQUTIJHRFA-UHFFFAOYSA-N 281.424 4.895 30 10 CJEE FC(F)(F)c1cccc(SCCCCCS)c1 94589307 PPTZTNVJZSTJFC-UHFFFAOYSA-N 280.380 4.898 30 10 CJEE CCCCCC[C@@](C)(O)C#Cc1cccc2ccccc12 95633226 YQWJUDUYCQBXMH-HXUWFJFHSA-N 280.411 4.913 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC2(CCCC2)CC1 110027543 VHFYGSHPCGCCGC-SFHVURJKSA-N 294.527 4.721 30 10 CJEE CCCCCCCCCCCCN(CCC(=N)N)C1CC1 110322451 OVMHDUMQBDCLNO-UHFFFAOYSA-N 295.515 4.698 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(Br)cc1 110462799 HWZCYHJKZUNZTQ-HNNXBMFYSA-N 298.268 4.679 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1Cc2ccccc21 114384542 PWPMIMGAWPQDFP-QZTJIDSGSA-N 259.437 4.665 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(CC)c(N)c1 115854649 BHHKTJSZNZSUHS-UHFFFAOYSA-N 290.451 4.910 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(CC)c(N)c1 115854652 SFDNFZCNMIPTIL-UHFFFAOYSA-N 276.424 4.520 30 10 CJEE CCCCCCCC[C@H](N)C1(N(C)C)CCC(C)CC1 118182670 ABPCXEWTKKBOFB-ADKAHSJRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCCCC[C@@H](CCOCC)NN 122729880 HYXKDXUQAWNJGU-KRWDZBQOSA-N 286.504 4.556 30 10 CJEE CCCCCCC[C@H](C[C@H](CC)CCCC)NN 128791959 FFNQJUFNTKEPDA-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE CCCCCCCC[C@H](NN)C1CCCCCCC1 130002635 ZGTZWFBEZZYYSF-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(C)c2)cc1Cl 133314636 FKSFTPIRTMCCDJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(Cl)nc1 156165219 PMQFCDRIDOPPCR-CQSZACIVSA-N 269.816 4.909 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(O)C1(C#N)CCC(C)(C)CC1 214829355 MDVJCJLSVQIYFG-MAUKXSAKSA-N 277.452 4.674 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 219704058 QKTKFCYCSJHCLM-OAGGEKHMSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCC[C@@H]1N 226475733 SNKRCZJUJPEOTD-HOTGVXAUSA-N 267.457 4.604 30 10 CJEE CCCCCCC[C@H]1C[C@H](NCC)c2cc(F)ccc2O1 229155843 MDADIOIRAMFWJU-RDJZCZTQSA-N 293.426 4.988 30 10 CJEE CSc1ccccc1NCc1ccc(C#N)cc1Cl 232274228 QQRICVXREVCBAB-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCCCCCCCCC1(O)CCN(CC(C)C)CC1 232913333 WCBRPKRQTOWJQL-UHFFFAOYSA-N 283.500 4.610 30 10 CJEE Cc1ccc(N(C)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1 235498119 CAKWPMSDHKXJHP-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@H](C)c1cc(Cl)ccc1Cl 251623886 LRSJWNWHPFGHEV-AQUOVQTQSA-N 259.176 4.664 30 10 CJEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CCC2=NN 254498711 OTWRKZRQJVDSJI-UEFGCPDKSA-N 288.479 4.734 30 10 CJEE Cc1cc(CCCC#N)cc(C)c1OCc1ccccc1 260403389 HSUCDVDHSBUZMF-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE CCCCCCCCCCN1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 263592544 AGGDRMGJUVISTO-INDMIFKZSA-N 275.480 4.881 30 10 CJEE C=CCCCCCCN[C@H](C)c1sccc1C 310260730 ZHGZIKNGSXELKE-CQSZACIVSA-N 251.439 4.844 30 10 CJEE CCCCCCCCCC[C@@](O)(CC)[C@H]1CCOC1 312006167 ZFLCHXLOPSJAAA-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)c2ccccc21 312376096 MIHVQZSWODEKIG-LBPRGKRZSA-N 282.774 4.857 30 10 CJEE C[C@@](O)(CC1(C#N)CCCCCCC1)c1ccccc1 312503178 KRTXLDGTDJSZQR-QGZVFWFLSA-N 271.404 4.538 30 10 CJEE CCC(CC)N(CC(C)C)c1nc(C)c(C#N)cc1Cl 312504414 FOTFVPQDNASORP-UHFFFAOYSA-N 293.842 4.566 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2C[C@@H](CC)CC[C@H]2C)C1 312949897 PPWHOJVFDSVBOE-MDMSPXHWSA-N 276.468 4.605 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)c(Br)c1 383933066 SYKLAMKWEIMKHW-GFCCVEGCSA-N 295.224 4.701 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(OC2CCC2)cc1 384932880 IQKGJJTWGLLTAD-UHFFFAOYSA-N 270.372 4.691 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nccc3ccsc23)C1 388789452 NZBAVHQKSHCHST-WBMJQRKESA-N 270.401 4.658 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)cc(F)c1F 388991112 SNMYFVNPTXAVGN-AWEZNQCLSA-N 273.342 4.854 30 10 CJEE CCC(CC)(CC)[C@H](O)C1(C#N)CCC(C(C)C)CC1 395229973 PIWCPDBSYJTYCT-PQUAAJSLSA-N 279.468 4.920 30 10 CJEE CCCCCCCCOCCC(C)(C)CNCCC 395653219 QVDWSHPUGYDHCU-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE C=CCCNc1ccc2ccccc2c1Br 396907413 AWYMISQNEUBUQF-UHFFFAOYSA-N 276.177 4.590 30 10 CJEE C=C(C)CCSCc1sc(C)nc1C(F)(F)F 507105076 UFVZDGSRAWXUBV-UHFFFAOYSA-N 281.368 4.670 30 10 CJEE Fc1cc(-c2ccc(C(F)(F)F)cc2)c(F)c(F)c1F 514255900 ZJFUMXTXUHOUSM-UHFFFAOYSA-N 294.169 4.929 30 10 CJEE CCCCCCCC[C@@H](NCC)C1CCC(OC)CC1 686360986 QUIKYYMHJHAQNU-DAWZGUTISA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2cc(C)ccc2o1 686689925 XWWYEQOKZLNQHE-INIZCTEOSA-N 269.388 4.585 30 10 CJEE C#CCCCCC[C@H](NCC)c1cnc2ccsc2c1 686697257 NQGKJKCTOLTGCP-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE C=CCOc1ccc(CNc2cccc(F)c2Cl)cc1 690289445 NCAYOUJASMMWGY-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C[C@H]1CCCCC[C@@]1(C#N)Nc1cccc(Cl)c1 691099107 FQFMKXPICGAIAT-WFASDCNBSA-N 262.784 4.614 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCC12CCCCC2 694373430 VXMUJRJOZVVLPK-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE C=C(CC)C[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 695048767 LEFGPVIBFYAXGH-GFCCVEGCSA-N 277.717 4.715 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCC(F)(F)C1 695096041 LIPQOGKBBHXCDG-KBPBESRZSA-N 261.400 4.903 30 10 CJEE Cc1ccc(C(C)C)cc1O[C@@H](C)CC(C)(C)C#N 695817231 MTQPDJKGECWGIC-AWEZNQCLSA-N 259.393 4.826 30 10 CJEE CCC(CC)(CS)CN(C)C[C@H]1CCCC2(CC2)C1 696168653 MDWNXMKSIGTYRD-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE N#Cc1ccc(N2[C@H]3CC[C@H]2c2ccccc23)c(Cl)c1 700436240 IFWUMYVKZLVKFY-HOTGVXAUSA-N 280.758 4.608 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1cc2ccccc2o1 701868252 SEBKZWFBEJLXQK-ZDUSSCGKSA-N 257.377 4.686 30 10 CJEE C=CC(C)(C)CCNc1ccc(C(F)(F)F)cc1F 701883499 XRINBZHYMOJZOR-UHFFFAOYSA-N 275.289 4.859 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C(C)(C)C 702249792 BTXIWGCBVZIMFE-PBHICJAKSA-N 271.448 4.683 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cccc(F)c1F 703996963 ZANCNNVBSJKYTL-GFCCVEGCSA-N 267.363 4.608 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)C[C@@H]1C 705347248 NNUSWDUDZBEDDL-ROUUACIJSA-N 283.500 4.753 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc2c(n1)CCCC2 712323146 PULXOPVOIBOBJE-GOEBONIOSA-N 270.420 4.507 30 10 CJEE CCc1cccc(N=C2NC3(CCCCCC3)CS2)c1 713203895 WVSKGYOJIKSVPX-UHFFFAOYSA-N 288.460 4.666 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(F)cc1Cl 715800683 TWHHJORGRFODRU-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(C(F)(F)F)s2)c1 718011875 PRRBUIKVHZTAFO-JTQLQIEISA-N 295.329 4.921 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)CO1 718398244 RXYLCLKUONHXEW-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@]1(N)CCC[C@@H](OC)CC1 718799726 PYDYXODJHDGKGT-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE COC[C@H](CC1(C=O)CC(C)(C)CC(C)(C)C1)C(C)C 721821172 YKBXHMOWXYIXDO-HNNXBMFYSA-N 282.468 4.717 30 10 CJEE O=C[C@@]1(CCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 722137108 QFSLKDJEETVGFY-HEHGZKQESA-N 297.225 4.931 30 10 CJEE 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C=CCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1C(F)F 2333328726 ZMOFVBZAMIFHQW-QLFBSQMISA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@@H](NCC)c1ccccc1F 2335095772 FXFAYGKECOTUEC-HEHGZKQESA-N 281.440 4.563 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(Cl)cc1)[C@H](C)N 2335100711 MLSHEQXAVHHRFL-LRDDRELGSA-N 295.879 4.982 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC(C)(C)[C@H]1NC 2335207685 VFHBFEIRHJUDTE-CVEARBPZSA-N 281.509 4.797 30 10 CJEE C=C([C@@H](NCC)c1c(F)ccc(C)c1Cl)[Si](C)(C)C 2335580191 DCAHHLNEEOMVNH-OAHLLOKOSA-N 299.893 4.872 30 10 CJEE CCCCCCCCC[C@H](NN)[C@](C)(CC)C(F)F 2336617281 BGNJVNJARIPCRZ-ZFWWWQNUSA-N 278.431 4.640 30 10 CJEE C[C@@H]1CCC[C@H](Sc2cc(C(C)(C)C#N)ccn2)C1 2338339787 REOSBSNFOXWYKB-OCCSQVGLSA-N 274.433 4.554 30 10 CJEE C=CC[C@@](C)(NCC=C(C)CCCC(C)C)C(F)F 2338445299 RQVZEHKLEBXKAN-MRXNPFEDSA-N 273.411 4.949 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccncc1C(C)C 2338612767 SHFDBWWIJDXLEB-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](CCC)CC[C@@H]1C(=O)O 2338701612 FVJORGYBXPUCIU-BPUTZDHNSA-N 264.409 4.672 30 10 CJEE C=C[C@@H](C)C[C@@H](Cc1ccc(F)c(C)c1Cl)NCC 2339321411 WWCIQIZQYJDVPK-RISCZKNCSA-N 283.818 4.520 30 10 CJEE C=C1C[C@H]1[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341880855 QZNXOGPSWKZFSB-XWTMOSNGSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc2ccccc12 2344338206 XMRDOVPKCKIBQT-ROUUACIJSA-N 253.389 4.832 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1cccc(C)c1)NCC 2344342396 JWNPTXGTHJTNOS-ZWKOTPCHSA-N 259.437 4.508 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)cc1C)NCCC 2344350099 YUSFVYUQXHGQKS-SUMWQHHRSA-N 279.855 4.771 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(C)c(C(F)(F)F)c1 2344354754 BURFXGCXCCJBPQ-ZDUSSCGKSA-N 271.326 4.616 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)c(F)c1F 2344383607 JHNXBPOHSQEURY-HZPDHXFCSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(F)c2ccccc12 2344477115 QSOFARSYJDTTJG-MRXNPFEDSA-N 258.336 4.615 30 10 CJEE CC(C)c1cccc(Nc2cccc(C#N)c2)c1F 2352960359 LYEBYADPEPNPMB-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CC(C)C[C@@H](CS)COC1CCC(C(F)(F)F)CC1 2353835061 QLJYZQBAIXEFND-PNESKVBLSA-N 298.414 4.716 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1C[C@@H]2CC[C@H]1C2 2359331053 JPRNCDMYJSQWPX-IXDOHACOSA-N 297.552 4.871 30 10 CJEE CCCCc1ccc(NCc2cccc(C#N)c2)cc1 21515889 MBLYQHNUYGGTCY-UHFFFAOYSA-N 264.372 4.513 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922238 FZYCCYQOSZORPD-AWEZNQCLSA-N 258.409 4.724 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 37935514 AUDLPNWSGBWIEV-SFHVURJKSA-N 278.399 4.969 30 10 CJEE N#Cc1ccccc1CSCc1c(F)cccc1Cl 58238586 LIFJARFRZLGRQT-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccnc1Cl 59431452 IVGZMMFMQUXCES-GFCCVEGCSA-N 254.805 4.896 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1c1ccccc1Br 62670615 ACTUECVMAVVEPY-RYUDHWBXSA-N 278.193 4.637 30 10 CJEE SCc1csc(-c2ccc(Cl)c(Cl)c2)n1 82686484 YSKJCHBQSPNXQC-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(N2CCCCCC2)CC1 86951987 WLQMLZNTPXYTNC-IRXDYDNUSA-N 262.441 4.505 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccc(Cl)s1 90713977 UTWVNFVUHSAFNH-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE CCCCCCCCCCOC[C@H]1CCCC[C@@H]1CN 91367141 OOOFFZCOAATFEQ-QZTJIDSGSA-N 283.500 4.909 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97220883 MHUWILJXQMMSQY-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=C(CC)C[C@H](CSc1ccccc1F)NCCC 97265889 GSIQAEOQGIMRFH-CQSZACIVSA-N 281.440 4.642 30 10 CJEE CCN(CCCCCCCCCS)CC(F)(F)F 97799304 JAQJNGLTWAGZMQ-UHFFFAOYSA-N 285.419 4.531 30 10 CJEE CCCCCCCn1ccc2c(OC)cc(OC)cc21 104063566 SEFUCPNNOQSLRH-UHFFFAOYSA-N 275.392 4.629 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C#N 104184788 PZXSTHZETBVAST-RISCZKNCSA-N 263.768 4.559 30 10 CJEE CCCCCCCN1CCNc2cc3c(cc21)CCCC3 106594827 ZMMWHBHMHWKHLO-UHFFFAOYSA-N 286.463 4.768 30 10 CJEE CCc1ccccc1Oc1ccc(C#N)cc1Cl 110262523 YKOLSMWKEQTUPR-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCCn1cc(C(=O)O)c(C(F)(F)F)c1 110521992 XVDIEALPUSHEQC-UHFFFAOYSA-N 291.313 4.566 30 10 CJEE N#Cc1cc(F)ccc1Oc1cccc(C(F)(F)F)c1 111037058 ZXCIBQVBCMKZBF-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCC[C@H](Cc1ccccc1OC)NCC 112893679 SRXOLGNOESUJPK-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CCCCCCC[C@@H](Cc1cccs1)NCC 112897197 MVCJLIZGUYVOEH-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@H]1CC 115248951 UBQZAVDEKIVALT-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@](C)(O)Cc1ccc(OC)cc1 115650577 TWKJCAVZCCODLY-SFHVURJKSA-N 278.436 4.739 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(C)c1C 122190528 YWDRRWFIFPALJC-SFHVURJKSA-N 276.468 4.949 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(C2CCC2)cc1 122207561 VVFZRAJPIOZXFG-UHFFFAOYSA-N 251.304 4.632 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(OCCC)c1 122423215 GSNWRWMUWIKXKQ-SFHVURJKSA-N 292.467 4.730 30 10 CJEE CCCCCCC[C@](O)(CC)c1ccccc1F 123628533 LLUJVIJGLQFXGA-MRXNPFEDSA-N 252.373 4.784 30 10 CJEE N#Cc1ccc(Br)cc1SCC1CCCC1 124368263 QGCWAHZAGFDBKX-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE CCCCCCCCC[C@@H](NN)C1CCC(C)CC1 125917471 MTMNCHGYGIQVAM-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@H](CN)N(C)C1CCC(C)(C)CC1 129796803 BKDKTYGFHRONSY-QGZVFWFLSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(OC)CCC(C)CC1 131034362 PJVAWZRYOHEVBW-LXPRWKDFSA-N 298.515 4.554 30 10 CJEE C=C(Cl)CNc1cc(Cl)c(C)cc1Br 131759786 GOKYIEFMAVLWMK-UHFFFAOYSA-N 295.007 4.575 30 10 CJEE CCCCCCC[C@H](NCC)c1snnc1C(C)C 139618685 GLEVQFFGSZJJLE-ZDUSSCGKSA-N 283.485 4.673 30 10 CJEE N#CC1([C@@H](O)c2cccc(C3CC3)c2)CCCCCCC1 156835267 AAPGRKZWUIOJAA-SFHVURJKSA-N 283.415 4.852 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](CCC)OC 158218618 SPQYDPAICUUGBX-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](OC)C1CCCCC1 158508120 VHYHVAXPLNURDH-SJORKVTESA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](CCC)OCC 159785876 MKRYUPOUYQHZEN-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE C[C@@](O)(CCCC(F)(F)F)C1(C#N)CCCCCCC1 163798188 PSQHIFJMJSDVCO-CYBMUJFWSA-N 291.357 4.724 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(Br)c(C)c1 167769477 APKSIEFZNYZEEY-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1cccc(Br)c1C#N 168558609 YQURVVXWQCQWEP-GHMZBOCLSA-N 295.224 4.557 30 10 CJEE Cc1cc(Cl)ccc1Oc1c(C)cccc1C#N 221138491 QHGNTNZZFWDVRN-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE N#Cc1cccc(Nc2ccc(Cl)c3cccnc23)c1 227630852 BVILXBRZWQLSOZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCCC[C@H]1NCCC[C@@H]1C(F)(F)F 232930976 RCXGAQYLJZDWAN-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE C=CCCCCCOc1ccccc1[C@H](C)NCCC 233097861 REJCGNHXOSNKNX-INIZCTEOSA-N 275.436 4.872 30 10 CJEE C=CCCCCCOc1cc(F)ccc1[C@H](C)NCC 233531056 FYWPRLIXXVTTIT-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(F)ccc1F 233543795 WMBVEXQLYXMXOX-INIZCTEOSA-N 267.363 4.752 30 10 CJEE CC[C@H]1CCC[C@@H](OCCCCC(C)(C)C#N)C1 234103479 ZERGZHNPZRWBQW-LSDHHAIUSA-N 251.414 4.692 30 10 CJEE C=CCCCCC[C@@H](NC)c1cnc2ccsc2c1 234465074 WGEYPSJXMSWVBD-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1F)c1ccc(Cl)cc1 235231052 XLMDALNBJNLPCN-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC(C)(C)c1ccccc1Oc1ccc(C=NO)cc1 250359806 FCMTUJNNRYUBBJ-UHFFFAOYSA-N 269.344 4.585 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)[C@H]1C[C@H](C)CC[C@@H]1C#N 251799152 GGGGLZLOZXAANO-CXUGXGMPSA-N 290.838 4.661 30 10 CJEE C[C@H](C#N)Cc1csc2ccc(C(F)(F)F)cc12 259909704 CADTYCZIANISJN-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC(F)(F)C1)NN 302419037 LMFZCCIVKMKOGO-LSDHHAIUSA-N 290.442 4.785 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC(F)(F)C2)C1 305954513 HXCZHGYULHLEBH-MCIONIFRSA-N 255.352 4.922 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(c2ccccc2C(F)(F)F)C1 311350817 NUUGVNITVHXJFE-BXUZGUMPSA-N 267.294 4.677 30 10 CJEE CCC(=NO)c1ccccc1OCc1ccccc1Cl 312107114 JVBXAEUCVYHENF-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1nc2ccccc2s1 381763371 UXXMEYHEVLMNGK-LBPRGKRZSA-N 274.433 4.549 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCCOCc2ccccc2)C1 381880232 AFEHGHRYQHOIJT-FUHWJXTLSA-N 271.404 4.703 30 10 CJEE CCCN(Cc1ccccc1)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 384406353 QKOUNXKNWDHLOC-YTQUADARSA-N 284.447 4.617 30 10 CJEE CCCCCCCC[C@H](NCC)c1cocc1C 385528281 UHHYNZRHLGSANB-INIZCTEOSA-N 251.414 4.989 30 10 CJEE C=C(C)CCN[C@@H](c1ccccc1)c1ccccc1C 387326126 CTOPLEFVDAQLNM-IBGZPJMESA-N 265.400 4.640 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@@H](CC)CCCC 387584933 QVIMPKXDOOYGIR-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H](C)C(C)(C)C)CC1 388550328 VISNQLZCLQGHCT-HCEZTOJASA-N 265.441 4.530 30 10 CJEE N#CCc1c(C(F)F)c(Cl)cc2sccc12 396185607 DUOPHVOOIRYIPK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCCC1)c1ccccc1Cl 397208997 VNXQRUOAKHPOJP-UKRRQHHQSA-N 290.838 4.711 30 10 CJEE CCCCN(C[C@@H](C#N)C1CCCCC1)[C@H](C)CC 397372539 SNZAAPNOQQVQNZ-NVXWUHKLSA-N 264.457 4.607 30 10 CJEE CCCCCCCCCN[C@@H]1CCCCC1(F)F 398220827 CFHKSCURUUMMLU-CQSZACIVSA-N 261.400 4.905 30 10 CJEE N#Cc1cc(-c2cccc(Cl)c2Cl)ccc1F 514260971 DXEDLKOQOQXCKS-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1nc(C2CCCCC2)no1 543546403 XODNSEQDFVULSN-ZIAGYGMSSA-N 291.439 4.513 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/NC2(CCCC2)CCS1 687319168 YEZBEUSRJDPOBW-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCCCCCCCC[C@@H](O)/C=C/c1ccc(N)cc1 696090889 XDWOFQOYFIRFDO-NKAIQICCSA-N 275.436 4.784 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)ccc1N 696181819 GRLPHDAANNVMIY-KRWDZBQOSA-N 263.425 4.751 30 10 CJEE CCCCCCCCCCN1CCC[C@H](C)[C@@H]1CCO 700308071 ZWLYODORYQYMGZ-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CC1(C)CC(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)C1 701486836 XGLVGPNLYQPJTI-SNVBAGLBSA-N 296.197 4.606 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(OC(F)F)cc1 701919523 KAUNYWKIWUGGPI-LBPRGKRZSA-N 283.362 4.541 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1cncn1C 704664035 JYVNNFKWVYFSOV-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCCCNCc1ccc(C(F)(F)F)nc1 707752022 NVRHJVLYPXWJRZ-UHFFFAOYSA-N 288.357 4.551 30 10 CJEE C[C@H](CC(C)(C)C)/N=C1/NC2(CCCCCC2)CS1 713245916 GYZCMGVMTXEVCS-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)ccc1C#N 714264072 ZYXGKRZRJNNKGT-ZTFGCOKTSA-N 268.404 4.638 30 10 CJEE C=CC[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F 715039230 LWSHOVNETMNUCQ-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@]1(OCC)CCC[C@@H](C)C1 715753328 NDELEXYBLSUHIZ-OWSLCNJRSA-N 281.484 4.552 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1F 715830632 OKCMLPQZOBVZLX-BMIGLBTASA-N 287.781 4.871 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)C[C@@H](C)CO1 718493151 SUIDOKXISPCLGL-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@H](N)c1csc(C(F)(F)F)c1 718711471 SJELTFBCDZXFGO-NSHDSACASA-N 277.355 4.903 30 10 CJEE CCCCCCCCCC(=O)c1cc(N)cc(F)c1 720262382 VDAUHVYLCHAHAM-UHFFFAOYSA-N 265.372 4.731 30 10 CJEE CCCCCCCCN[C@H]1CCO[C@H](C(C)(C)C)C1 721555136 HEAFUMXINCQLSG-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE COc1cc(/C=C\CC#N)ccc1Sc1ccccc1 725406446 IHTSIQHDDMLTKS-ALCCZGGFSA-N 281.380 4.773 30 10 CJEE Cc1cccc(C=NN(c2ccccc2)c2ccccc2)n1 1084419059 XRUXWSDEUDPSLV-UHFFFAOYSA-N 287.366 4.562 30 10 CJEE C=CCCC(=O)N(c1ccc(C)c(C)c1)C(CC)CC 1125424086 XRMDCXUGVGDNFW-UHFFFAOYSA-N 273.420 4.791 30 10 CJEE C#CCC1(C(=O)Oc2ccc(C3CCC3)cc2)CCCCC1 1127868288 FGONDRLSWDFTSR-UHFFFAOYSA-N 296.410 4.833 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(C)cc1F 1129529886 XAGNRXIKNQIKEI-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1coc2c(C)cccc12 1130905352 XZLYFGISJWRAFD-WMLDXEAASA-N 297.398 4.606 30 10 CJEE C=C[C@@H](OC(=O)C[C@H](C)c1cccc(F)c1)c1ccccc1 1130934447 NEQQRRRHGQELEP-KBXCAEBGSA-N 298.357 4.790 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccc(C)cc2)n1 1134027960 MIXPYYZHCLGNMQ-LJQANCHMSA-N 294.398 4.598 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCCC(C)(C)C1 1182387737 LQDNQSVRSKPRDF-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](CCC)NCC(F)(F)c1cccc(F)c1 1182780958 GMDDYXUIWKPGOO-HNNXBMFYSA-N 285.353 4.642 30 10 CJEE C=CCC[C@H](C)Nc1ccc2cc(OC)ccc2c1 1205755694 MOCUTBUNJCUTMK-ZDUSSCGKSA-N 255.361 4.615 30 10 CJEE N#CCc1c(F)cccc1-c1cccc(C(F)(F)F)c1 1239517319 PCQCWDBLDRBJKW-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(CCC)cc1 1310030756 FFPRFDMOZAGYMP-UHFFFAOYSA-N 274.408 4.505 30 10 CJEE C=CCC1(C(=O)NCCc2ccc(C(C)C)cc2)CCCC1 1351006343 BQZYGGDEGAKIJY-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 1352896841 UVGKXHCJJFVDOY-AWEZNQCLSA-N 297.398 4.699 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1(C)CCCC1)c1ccccc1 1353176724 GUWREIXFTLBIBJ-GOSISDBHSA-N 299.458 4.823 30 10 CJEE C=CCC1(C(=O)Nc2cccc(Cl)c2F)CCCC1 1354678819 VMNILNPZCIDYIN-UHFFFAOYSA-N 281.758 4.554 30 10 CJEE C#CCC1(C(=O)Nc2cccc3ccsc23)CCCCC1 1357339583 DCNXTWVHPKPHIN-UHFFFAOYSA-N 297.423 4.814 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C)sc2C)c1 1439922413 KFXYCEOSPQVELX-UHFFFAOYSA-N 271.385 4.650 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCc3ccc(C)cc32)CCCCC1 1461302649 VCBKAPJMLAWHOD-GOSISDBHSA-N 297.442 4.625 30 10 CJEE C=CCOc1ccc(CN[C@@H](CC)C[C@@H](C)CC)cc1 1462218101 FMNRRRQVJPZHGU-RDJZCZTQSA-N 275.436 4.556 30 10 CJEE C=CCN(Cc1ccc(-c2ccsc2)cc1)C(C)C 1473126384 MYNNXEDBGUGTCT-UHFFFAOYSA-N 271.429 4.812 30 10 CJEE C=CCCCN[C@@H](CC(F)(F)F)c1ccc(C)cc1 1473354912 NNSNGWJZRZMOIW-AWEZNQCLSA-N 271.326 4.544 30 10 CJEE CCCCCCCCCCN1CCCSC[C@H]1C 1473867422 MJWHIOWJAPIXAB-MRXNPFEDSA-N 271.514 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282.468 4.739 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1cc(Cl)ccc1C 2201315902 KLRVNBKYHPIYTK-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE Cc1cc(C)c(C)c(C[C@@]2(C=O)CCCCC23CC3)c1 2203043111 FKSCIYMBHJAPCN-LJQANCHMSA-N 270.416 4.694 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(C)cc(C)c1C 2203079552 ARKTYISFCYESOT-AUUYWEPGSA-N 271.448 4.702 30 10 CJEE CN(CCCCCC#N)CC1CC(C)(C)CC(C)(C)C1 2203188942 KPVCLFPNKXCXKP-UHFFFAOYSA-N 278.484 4.855 30 10 CJEE CCCCCC#CC[C@H](O)[C@@H]1CCCC[C@H]1C(F)(F)F 2203784896 IBKDHFSPFDQXEV-KFWWJZLASA-N 290.369 4.690 30 10 CJEE CCCCCC#CC[C@@]1(CNC2CC2)CCCC1(C)C 2203806530 DPFFZYWZJFCVKW-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@H](NC)[C@]1(C)CCCCC1(F)F 2203810089 LNBJQWDRMTZUCX-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1C2(CCC2)C12CCC2 2203964122 JHRQXWIYMFOHSS-HOTGVXAUSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)cc(OCC)c1 2204196762 NBLUWNXELLURIE-KRWDZBQOSA-N 281.415 4.845 30 10 CJEE C=CCCCCCC[C@@H](NN)C1CC2(CCCCC2)C1 2206887423 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266.425 4.677 30 10 CJEE Cc1sc(CN(C)CC2(CS)CCCC2)c(C)c1C 2228640850 CWEPXHOXKCTXFJ-UHFFFAOYSA-N 297.533 4.595 30 10 CJEE C=CCCCCCC[C@@]1(N)CCc2c(C)cccc21 2231510734 DUAMJPNXHAVVMU-GOSISDBHSA-N 257.421 4.622 30 10 CJEE CCCCCCCC[C@](C)(C#N)NCc1cccs1 2231906441 KSGHHELYNRRMPW-MRXNPFEDSA-N 278.465 4.871 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2235512999 HQYWLFOJWMQCGL-FPCVCCKLSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)C1CCCCCC1 2235526295 JLUNDDCJBSRABA-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccccc1COC 2235527865 ZSJJPAITMSNMMG-SFHVURJKSA-N 276.420 4.783 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncoc1C(F)(F)F 2235534033 FBFZDSSURWYBMF-LLVKDONJSA-N 290.329 4.610 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@@H]2C3C[C@@H]4C2[C@@H]4C3)C1 2238416619 RVHNOSCIHOYHAR-KTNDZQJXSA-N 289.488 4.729 30 10 CJEE C=CCCCCCCCN1CCC[C@@H](OC(F)(F)F)C1 2238815610 VWUCRZNMLVHYKW-CQSZACIVSA-N 293.373 4.514 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)[C@H](C)CC(C)(C)C 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C=C(C)CCCC[C@@H]1CCC(F)(F)CC[C@H]1NCC 2271791701 OAQDUHMARXLTHO-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CC(C)CCC[C@@H](C)CCN[C@H](C)CC(C)(C)C#N 2272246730 FRYRFJAVQRIBCG-HZPDHXFCSA-N 266.473 4.757 30 10 CJEE C#CC1(N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC(C)(C)C1 2272595801 AOSSPXZRQJBLOB-NSHDSACASA-N 296.241 4.836 30 10 CJEE C=C[C@@H](C)CCN[C@H](CC(C)(C)C)c1ccccc1 2273021230 DXYPTRZWFOGBPC-NVXWUHKLSA-N 259.437 4.966 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1ccc(CC(C)C)cc1 2273232786 KIAHEDQTDLEHMH-HOTGVXAUSA-N 259.437 4.748 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@]12CCCC[C@H]1CC2 2273318426 SCKCRJJPVKRYEY-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@@H](C#CC1CCCCC1)NC 2273967009 RGCAZTIEFCXAQS-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCC1CCC([C@@H](N)C#CC2CCCCC2)CC1 2273991989 MQFPBMHFBRRDFG-VJFUWPCTSA-N 261.453 4.504 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1(CC)CCC1 2274135968 HRRWZMNVEGBBOF-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC1(C)C)OCCN 2276124764 MBCFSDDMMFAMMA-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CCC[C@@H](C)C1 2276456284 OIMZLQPGTFMZJQ-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@H](CC)C1 2276605914 PSTMNXMOXUQDIV-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C=C1CC([C@H](CC2(C)CC(C(F)(F)F)C2)NCCC)C1 2279510559 YRKOAMJNFNPZJI-SLTAFYQDSA-N 289.385 4.690 30 10 CJEE O=C(C[C@H]1CCCCC12CC2)C1=Cc2ccccc2C1 2279592638 MLUAXNIYQARMAZ-QGZVFWFLSA-N 266.384 4.556 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCC(C)(C)OC)C1 2280301357 APPLJDBVUSLOQD-RBSFLKMASA-N 297.508 4.889 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(C(=O)O)CCCC(C)(C)C1 2284093771 AAWJSOJZHNLFQE-GOSISDBHSA-N 276.420 4.653 30 10 CJEE C[C@H]1CCC[C@](CC=CC#CC(C)(C)C)(C(=O)O)CC1 2284180814 OHRZZOXLAMLEMN-YJBOKZPZSA-N 276.420 4.653 30 10 CJEE CCC[C@H]1CCC[C@@H](NCC=CC#CC(C)(C)C)CC1 2284182914 KKPIFEVCGNPITF-ZWKOTPCHSA-N 275.480 4.931 30 10 CJEE C=CCCCCCCCSc1ccc(C(=N)N)cc1C 2287062405 FPLPWSXFTBHLNE-UHFFFAOYSA-N 290.476 4.898 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1[C@H]2CCC(F)(F)[C@H]21 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C=CCCCCCC[C@](C)(CCCCC)OCC(=O)O 2291307781 MJNIHURBYXYAIK-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CC[C@](C)(CCCCCCC1CC1)OCCC(=O)O 2291325541 PXWJFYKPWNHJJX-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@]1(OCC(=O)O)CCC[C@H](CCC)CC1 2291443991 OVPUDIDSAQYJOE-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@]1(OCCC(=O)O)CCC[C@@H](CC)CC1 2291771669 PKTBAHIQLKYWBC-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(Cl)C[C@]1(OCCCN)CCCC2(CCCCC2)C1 2292888386 NDCRVRXILFGVKO-QGZVFWFLSA-N 299.886 4.758 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC12CCC2)OCCN 2293043869 HTUGCIRFLXKDGD-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=C(CC)C[C@@H](OCCCN)C(C)(C)C1CCCCC1 2293053312 LOLOCIVXOVCJIV-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1(C)CC(C)C1 2293463927 QLEYVJIECRNXHZ-ADKAHSJRSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1CCC(F)CC1 2293647306 IEZGQIBTQWEITJ-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=CCCCCCCC[C@](C)(OCCCN)C(C)(F)F 2293854063 DMLSDMSEQXXVMP-HNNXBMFYSA-N 291.426 4.682 30 10 CJEE 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4.535 30 10 CJEE C=CCC(CC=C)NCc1ccc(Cl)c(Cl)c1C 2316830961 NLEULNWISALSPF-UHFFFAOYSA-N 284.230 4.912 30 10 CJEE CCCCCCCO[C@H](C)CCCCNC(C)C 2318025859 NEDYWZOZTSHZPN-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE C=C(C(=O)CCc1cc(Cl)cc(Cl)c1)C(F)(F)F 2318636574 GPDMRJZRICAWEQ-UHFFFAOYSA-N 297.103 4.614 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2321105338 ONCQECPUALKLRP-AWEZNQCLSA-N 286.246 4.726 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@@H](F)C1)NCCC 2327344674 MAJMGHKJILNOOI-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE c1coc(C(=NOCc2cccc3ccccc23)C2CC2)c1 2330359066 KPAUVOBUJFCHHR-UHFFFAOYSA-N 291.350 4.764 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC2(CCC2)[C@@H]1NC 2335096747 QBZXIUXGZGEQME-HZPDHXFCSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CCC2)[C@@H]1NC 2335096748 QBZXIUXGZGEQME-JKSUJKDBSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1C[C@H](C)N 2335103675 OXVDRLOBSCPTCQ-LBPRGKRZSA-N 295.879 4.843 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)ccc1CN[C@H](C)CC 2335230319 XVMYZSMIWFAIFI-HUUCEWRRSA-N 277.477 4.940 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)C1CCC(CC)CC1 2337078795 GUGXTKOHXCKBJH-ZTJXHEDMSA-N 263.469 4.926 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)C[C@H](C)C(C)(C)C 2338392287 DUJACHODYPJUCQ-GJZGRUSLSA-N 277.477 4.540 30 10 CJEE C#CCCCCCCN[C@@H]1CC(C)(C)CCC1(C)C 2338810767 VCMHDGPAPCMTSO-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338908431 KTKDMQRMUFOOES-BZSNNMDCSA-N 263.469 4.881 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCCCC1CC1 2341421239 ZDHYCJRWMSRQDT-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE Cc1cccc(COCCCCCCCCCS)n1 2341908797 PCVSSQMIARYWSK-UHFFFAOYSA-N 281.465 4.567 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COCC1(CS)CCCCC1 2343135290 GGAPHVAOVQCYME-GJZGRUSLSA-N 284.509 4.956 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COCC1(CS)CCCCC1 2343135292 GGAPHVAOVQCYME-LSDHHAIUSA-N 284.509 4.956 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C)C(F)(F)F 2343200684 BTWOFIBPCSUOAQ-AVGNSLFASA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCCCC1(F)F)NCCC 2344339922 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CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 37071282 SDQDAYCKMLVEBI-SJORKVTESA-N 270.420 4.769 30 10 CJEE N#Cc1ccccc1NCc1cc(-c2cccs2)cs1 37203076 JTZBDAHKHTVUEQ-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE CCC(C#N)(CC)C(=O)Nc1c(Cl)ccc(C)c1Cl 44764687 VVZRZYUGVNVLIU-UHFFFAOYSA-N 299.201 4.570 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1ccccc1Cl 50428885 BRZFGWXTOQIOPT-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2cc(C)cc(C)c2)cc1 57684917 LGSQZJRMNWDTBG-SFHVURJKSA-N 279.383 4.688 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(COC)c1 59419290 VDCVZKIFUFCWAE-OAHLLOKOSA-N 263.425 4.994 30 10 CJEE N#Cc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1 75914481 SGBDOTCYNDILAX-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2ccccc2F)CC1 86949232 MMSXQISPCCZICQ-WMLDXEAASA-N 274.383 4.736 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(F)c2F)C1 87972289 KZQDDLBKYWKXBB-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE CC(C)(C)c1ccccc1Oc1cccc(F)c1C#N 93406759 CXDHBIAJKZSXCS-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE C[C@H]1CCC[C@H](OCC2(CS)CCCCCC2)C1 94584050 MIJVQLDNWYMFIH-GJZGRUSLSA-N 270.482 4.852 30 10 CJEE CCCCCCCCCOc1ccc(CCC(=O)O)cc1 106150151 FAQKCOYSUTUOBZ-UHFFFAOYSA-N 292.419 4.833 30 10 CJEE CCCCCCCCNC[C@H](c1ccco1)N(CC)CC 106351724 ZQDAGHFJTKQUSC-QGZVFWFLSA-N 294.483 4.613 30 10 CJEE CCC#CC[C@@H](C)c1ccc(C)c(Br)c1 107497106 YCIGENSXRDQKLZ-LLVKDONJSA-N 265.194 4.665 30 10 CJEE CC[C@@H]1O[C@@H]1CCc1ccc(OCc2ccccc2)cc1C 107616921 MLERNADKQYVAAY-VQTJNVASSA-N 296.410 4.684 30 10 CJEE Cc1ccc(Cl)cc1Nc1ccc(C#N)c(Cl)c1 110253515 YHGWINGOGODIIR-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCN1c2ccccc2CC[C@@H]1CN 111236317 ZNFHKTOEEFIMSA-GOSISDBHSA-N 288.479 4.517 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)OC[C@@H](C)CO2 112376609 WEUGLRFAVFQPJR-AWEZNQCLSA-N 290.403 4.637 30 10 CJEE CCCCCCC[C@H](Cc1ccc(F)cc1Cl)NC 112899208 GQTDCMHMHTZNOQ-OAHLLOKOSA-N 285.834 4.970 30 10 CJEE CCCCCCCCCCCCN1CCCN[C@H](CC)C1 114077792 MTXGGMQFLWDWMU-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCCCCNC(C)(C)C(C)(C)C(=O)O 115722001 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CJEE CCCCCCCC[C@H](NCC)c1nccn1CCC 165931070 KIOAFEFVCNWDKT-INIZCTEOSA-N 279.472 4.694 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(OCCC)c1 167688555 NJFRITCZVVFRDF-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)c2ccsc2S1 216991614 CYLJUUKYENSHOR-IINYFYTJSA-N 286.425 4.657 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccco2)C1 222266406 ABVBUBXVQMDHKF-GUTXKFCHSA-N 277.433 4.867 30 10 CJEE CCCCc1ccc(Nc2cc(F)cc(C#N)c2)cc1 227607750 PGHUSCZQHJTNHK-UHFFFAOYSA-N 268.335 4.784 30 10 CJEE CCCCCCCCCCCCNCCCNCCC 228400865 OTFSOBHCGSFKAE-UHFFFAOYSA-N 284.532 4.887 30 10 CJEE CC[C@@H](C)c1ccc(OC[C@H](CS)C(C)C)cc1 232360726 WYQUKKYZWCPNKB-UKRRQHHQSA-N 266.450 4.781 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CC(C)(C)C[C@@H]2C)CC1 232543306 WXASIVMPWPAVTD-HRSCSKTISA-N 277.452 4.530 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC(C)(C)C[C@H]2C)CC1 232543478 WXASIVMPWPAVTD-RYKRPPSOSA-N 277.452 4.530 30 10 CJEE CC1CCC(Nc2ccc(C#N)c3ccccc23)CC1 232840729 RDGVVQQFAXMHKB-UHFFFAOYSA-N 264.372 4.702 30 10 CJEE 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CJEE CC(C)(C)C#CCOc1ccc2ccccc2c1Cl 2353126723 HUJDOWQLUQUMFL-UHFFFAOYSA-N 272.775 4.922 30 10 CJEE CC[C@@]1(C)CCSC(=N[C@@H]2C[C@@H]3CCCCCC[C@@H]32)N1 2354889978 GQSNVYMPUZKWGR-MPTYRVRUSA-N 294.508 4.597 30 10 CJEE CC#CCCCC[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2357453666 KVVQHOSGGPPUSX-INDMIFKZSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1CCC 2358323007 ALOPCSQKSPNKKK-KZNAEPCWSA-N 280.500 4.951 30 10 CJEE C=CC[C@H](C)S[C@@H]1Cc2c(C)cccc2[C@@H]1NCCC 2360207109 FQPCDTMAMIXRIH-QGTPRVQTSA-N 289.488 4.658 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NC)[C@@H](C)CC1CCC1 2360331703 WJEKCTLHRRZGPB-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE CCn1c(-c2ccccc2C)c(C#N)c2ccccc21 11805045 MAXBRQNOVRHTLZ-UHFFFAOYSA-N 260.340 4.508 30 10 CJEE CCCCSc1ccc(NC2=CC(=O)CCC2)cc1 16639444 SHLQBCYUYKWXNB-UHFFFAOYSA-N 275.417 4.628 30 10 CJEE CCCc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 20566440 LYKPJGJJEVKXLI-AWEZNQCLSA-N 264.372 4.684 30 10 CJEE Cc1ccc2nc(-c3ccc(Cl)cc3)c([C@H](C)C#N)n2c1 31921362 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DQHIDHCKZJJDKZ-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE CC[C@H](C)c1ccccc1OCCCCCS 94583200 GGUVVHOWRQLSSH-ZDUSSCGKSA-N 252.423 4.679 30 10 CJEE N#CC1(Sc2ccc(F)cc2)CC(c2ccccc2)C1 97329212 MERIERGQRDQZGM-UHFFFAOYSA-N 283.371 4.758 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(N(C)C)CCC[C@H](C)C1 109923748 ZBVCWCGLRRYWDY-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE N#Cc1cc(N[C@@H]2CCCCc3ccccc32)ccc1F 109947682 WUWFXXOMACNCNR-GOSISDBHSA-N 280.346 4.577 30 10 CJEE CCCCCCCO[C@]1(CNCC)CCC[C@@H](C)C1 110067903 BPCFOPMWGFAKTK-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(Cl)cc1F 110255771 OHGHIIBACKXNGS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@@H]2CC[C@@H]1O2 112646136 OGQQUXOTYZBCIO-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NCC[C@@H]1C 114079538 JWNCOLUCFLZTER-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(O)c(Cl)c1 115063848 JVVXUOSUVRRDQP-UHFFFAOYSA-N 283.799 4.735 30 10 CJEE CCCCCCCCC[C@H](NCC)C(C)(C)N1CCCC1 118144435 LBRHMKXEPZRKKX-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(Cl)cn1 125085628 KDGVUUHQXLHDFS-CQSZACIVSA-N 268.832 4.876 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](CCC)OCC 125967404 HUNVTNFWYBJIQL-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cncs1 147537146 BOLURYLNHJAVQJ-CYBMUJFWSA-N 254.443 4.674 30 10 CJEE C=C(C)CC[C@H](NCCC)C(C)(C)c1ccccc1 159194122 XYCPSLBBDFNWJK-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CCCCCCCCCCC[C@H](N)C1=CCCCO1 160268290 QYQIFMFVLDUYGT-INIZCTEOSA-N 267.457 4.929 30 10 CJEE CCCCCCCCCCN1CC[C@]2(O)CCCC[C@@H]2C1 160791214 QNZNPOKIHNXVEP-RTBURBONSA-N 295.511 4.754 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@](C)(CC)OC 163537673 RDUVDGQXCAUHSL-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@@H](N)C1(OC)CCC(C)CC1 165814653 HQGFUSOQHRUYCL-AQFXKWCLSA-N 269.473 4.660 30 10 CJEE Fc1ccccc1C#Cc1ccc(-c2ccccc2)s1 197005103 GPMBKTYGXKOJBS-UHFFFAOYSA-N 278.351 4.954 30 10 CJEE CCCC[C@@H](CCC)N[C@@H](C)c1ccc(C#N)cc1 225973152 VGCOEGOAODJWDS-WMLDXEAASA-N 258.409 4.568 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)c(F)c1 227861818 JURVPGIYXSVAMC-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C#CCCCCN[C@@H](CCCCC)c1ccccc1 229643876 CZDRGRBNJWOWPP-SFHVURJKSA-N 257.421 4.701 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)cc(Cl)c1 229736433 XRKFCYFSAMWXNF-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCCCCCCNCC[C@H]1CCOC1 232936378 FTSGZFXJCVDCLF-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](O)C(C)C 232946823 VRBNVNRVMJOSON-SJORKVTESA-N 272.473 4.675 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)Cc1cccs1 232961686 QALPDPNSXRTJOY-INIZCTEOSA-N 296.524 4.648 30 10 CJEE C=CCCCCCOc1ccc(F)cc1Br 236140929 UONZNMAKFCSFRG-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C 251823737 ZVCIBKCIARTHPL-RWSFTLGLSA-N 296.336 4.814 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC[C@H](C)[C@H](C)C2)CC1 252541665 DZNHGZPRMQOMLY-QNVOQPSNSA-N 277.452 4.530 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(Cl)c1 300439005 VQKDCQGKWJPOLA-SOUVJXGZSA-N 288.822 4.982 30 10 CJEE C[C@@H](CCC(C)(C)C)Nc1cc(C#N)ccc1Cl 302517370 OFVQPZCJMUZSCU-NSHDSACASA-N 264.800 4.838 30 10 CJEE CCCCCCCNc1cccc([N+](=O)[O-])c1Cl 306001509 ISDPBEXKAXVGJS-UHFFFAOYSA-N 270.760 4.631 30 10 CJEE C=CCCCCC[C@H](NCCC)C(C1CC1)C1CC1 311340461 IAXLBBRTZXHRRY-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1C1(C#N)CCCCCC1 312330324 ZMAOUTJEXYJCTO-UHFFFAOYSA-N 292.766 4.672 30 10 CJEE CCCCCCCCNc1cc(F)c(F)cc1[N+](=O)[O-] 312978778 QHHLSHUXDHVLPD-UHFFFAOYSA-N 286.322 4.645 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CC[C@@H](C)C1 316747586 QAYMSFPSBZPIQM-XUJVJEKNSA-N 295.220 4.558 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(F)cc2Cl)C1 316831184 LPANKMJBIZNPTH-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE Cc1cc([C@]2(C#N)CCC[C@H](C)C2)nc2ccccc12 380645747 XYTMNFXMCFCKRS-SCLBCKFNSA-N 264.372 4.515 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cscc1C 380729365 HZGCLVSMCIXGIN-OAHLLOKOSA-N 263.450 4.537 30 10 CJEE O=C(C1=CCCC1)c1cccc(OCc2ccccc2)c1 381907313 JBZDKNGUGPJDDL-UHFFFAOYSA-N 278.351 4.559 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc2ccccc2s1 384761998 ALTMPHGIZTYITL-GFCCVEGCSA-N 259.418 4.764 30 10 CJEE CCCCCCCCC[C@](C)(F)[C@@H]1CCCCN1 386135876 PQAPAGTUODEJEJ-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 389084312 BUKKWTCEENKYJO-JTQLQIEISA-N 296.197 4.750 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)o2)C1 393533001 NBGNRNYZIVQABF-RISCZKNCSA-N 296.208 4.695 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)[C@]1(C#N)CCC[C@H](CC)C1 397732569 WXHYAWFHLDKXKP-IDCNUPLLSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cc2ccccc2o1 398169181 KQCYMYFWOUWSFP-KBPBESRZSA-N 257.377 4.828 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H]1CCOC1 401569720 RSSJVTXLXRUEHX-INIZCTEOSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CO[C@H](C)C1 401852259 XLANKCSMQHGSJW-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=CCC(C)(C)c1noc(/C(C)=C/c2ccc(F)cc2)n1 560025568 CIDXSPDSBCXRBQ-VAWYXSNFSA-N 286.350 4.623 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)cc1 686678978 VIDDJWZIIPYDPA-INIZCTEOSA-N 263.812 4.574 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)CC2CCCC2)C1 688314205 BRPPLMBRUHVAPP-OAHLLOKOSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1snc2ccccc12 692226439 FCKPGYKYUHMUAS-OCCSQVGLSA-N 272.417 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C(=O)O 692272982 QEGKPCUJSYHYCC-RISCZKNCSA-N 293.794 4.585 30 10 CJEE N#Cc1cc(F)ccc1NCc1cc2cscc2s1 693916656 GEYCWUPNGKMGME-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE CCCCCC(C)(C)CN[C@H](C)CC(C)(C)C#N 695790013 FSRXRPMUDYORGJ-CQSZACIVSA-N 252.446 4.511 30 10 CJEE CCCCCCCC[C@H](O)CC[C@@H](CCN)C(C)(C)C 696298925 RFPJONJORSUBLX-IRXDYDNUSA-N 285.516 4.889 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(C)c(N)c1 696566118 WDTHDLZMJVDLCG-QGZVFWFLSA-N 263.425 4.751 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699124521 XYHMXIWHKMAOFV-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE CCCc1ccccc1OCC1(CS)CCCC1 699539218 VCRUGUNUVIIDRP-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE CCCCCCCCCCCCC(=O)c1cccnn1 701810915 XQRQMQKLPMQHMS-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE CCCCCCCCCO[C@@H]1CCNCC(C)(C)C1 703820052 XPVRTMGPQYZFKM-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCSc2ccccc21 709358919 ZTXAPGAYXMESEQ-PVAVHDDUSA-N 287.472 4.948 30 10 CJEE C=C(Cl)C[C@H](CSc1cccc(C)c1)NCCC 710585892 VHISCFUZPJQMHA-CQSZACIVSA-N 283.868 4.598 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCC[C@H](N(C)C)C1 715272190 CCMQFYWPLPGORK-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@H](CCC)CCS1 716824362 RUDWMDJNWGHDIY-UONOGXRCSA-N 270.486 4.597 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](C)[C@H]1CCCO1 720141329 NHESUTPGGWIFOI-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1C[C@@H]1C)NN 722899167 YCORECPMPGSLAT-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCN[C@H](CC)[C@H]1CCCOC1 724014753 OTECSUCARIEBIU-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@]1(C=O)C[C@H](C)O[C@H](C)C1 724231234 UPMMVITWWBHMNB-FVQHAEBGSA-N 268.441 4.900 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H](C)C2CCCCC2)C[C@@H](C)O1 724280689 DZEHQPWRHWOAQK-AIANPOQGSA-N 263.425 4.690 30 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C#CCCCCCCN[C@@H](C)CSc1ccc(C)cc1 1180970152 OTFINUCCPQJGNU-KRWDZBQOSA-N 289.488 4.649 30 10 CJEE C=CC[C@H](C)N1Cc2ccccc2-c2ccccc2C1 1190712485 ASWLJKVWNVXJLX-HNNXBMFYSA-N 263.384 4.634 30 10 CJEE C=CCC[C@H]1CCCN1CCCOc1c(C)cccc1C 1198407678 ZBELTIWNZWDHDE-SFHVURJKSA-N 287.447 4.503 30 10 CJEE C=CCCC1(CNCc2ccc(F)cc2F)CCCC1 1203113295 KWRKWHMXHCVAQG-UHFFFAOYSA-N 279.374 4.581 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1CCCCC 1230814953 MNMHHEPUEAUKQQ-IAGOWNOFSA-N 294.483 4.876 30 10 CJEE C=CCC[C@H](NC(=O)c1ccoc1CCC)c1ccccc1 1266420564 DSWBKLAZMLDPOR-KRWDZBQOSA-N 297.398 4.669 30 10 CJEE C=CCC1(CNC[C@@H](C)c2ccc(C)cc2)CCCC1 1308762956 JLHOOQLCGDYAFQ-QGZVFWFLSA-N 271.448 4.825 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 1308927741 JWHCRSWBLDHLMX-HZPDHXFCSA-N 293.495 4.695 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 1310624506 MLKHARFTYQRLHR-XYJFISCASA-N 298.430 4.505 30 10 CJEE C=CC(C)(C)CC(=O)N(C)Cc1c(CC)oc2ccccc12 1350976530 OAAAQCYTIGOPHP-UHFFFAOYSA-N 299.414 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281.465 4.598 30 10 CJEE C=C(C)CCCC[C@@H](CCc1ccccc1)NCC 2271784382 DZCPYCLWZOJNJL-SFHVURJKSA-N 259.437 4.734 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC1CC2(CC(F)C2)C1 2272169269 PJKZEQWTBBTNDF-UJCFSERGSA-N 266.400 4.690 30 10 CJEE CC(C)(C1CCCCC1)[C@@H](O)C#CC1CCCCC1 2274050574 IVEDMWGUHJWRAV-KRWDZBQOSA-N 262.437 4.538 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H](C)C(C)C 2276063719 KNTPYJAMFIPUGN-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)CCC)OCCN 2276466533 PUDNOHXXQLTOTG-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H](CC)CCC 2276786006 WZDUGJKPFMFSBP-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@@H](N)CC 2278106936 XMBJPQMCHUBNIJ-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE CCCC[C@@H](CC)CSc1nc(C)c(C)cc1C#N 2278318363 HWGCCMCUAMELFU-CQSZACIVSA-N 276.449 4.879 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C[C@H]1CCCCC12CC2 2279518860 ACVRBPPMXOGXGO-SJORKVTESA-N 275.480 4.765 30 10 CJEE C=CCCCCCCOc1ccc([C@@H](C)NC)c(C)c1 2283249888 AEYSVLYELFCIKK-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE C=CC1(C[C@H](NCC)c2cc(OC)ccc2Cl)CCC1 2283355776 KNVWMEYDFBPFLN-INIZCTEOSA-N 293.838 4.746 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCC(F)(F)CC1(C)C 2284083287 DXXOXWIWHWPMGV-MRXNPFEDSA-N 284.390 4.559 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(C(C)(F)F)ccn1 2284167354 QADMCAZQRNIXCH-HNNXBMFYSA-N 285.378 4.761 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCn1ccc2c(C#N)cccc21 2284947618 TWHDYRBLIBLPOH-CABCVRRESA-N 266.388 4.729 30 10 CJEE C=C1C[C@H]1COc1cc(C)c(Cl)cc1[C@H](C)NCCC 2286441085 BKLKIHGZGBBHIN-KBPBESRZSA-N 293.838 4.664 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(C)cc(OC)cc1C 2286518605 KIZWXYWBLJAGIU-QGZVFWFLSA-N 275.436 4.709 30 10 CJEE C=CCCCCCCCS[C@H](c1ccncc1)[C@@H](C)N 2287090668 RPZGDOUSMUXGNX-WBVHZDCISA-N 292.492 4.730 30 10 CJEE C=C(C)CCCC[C@@H](CCOCCC(C)C)NCCC 2287467733 XJJCOGZJCRCSFG-SFHVURJKSA-N 283.500 4.944 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@H]1CCCC(C)(C)CC1 2289709825 GIKVJKLENXTGQE-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc2ccc(F)cc2s1 2289772220 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HTPRETYDUWSDPC-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCC[C@@H]1CCC[C@](N)(C#Cc2ccccc2Cl)CC1 2295227320 UGEAFLKCXBTKPS-CRAIPNDOSA-N 289.850 4.769 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Br)ccc1C 2304054585 DJOSADOZCWBDQQ-OAHLLOKOSA-N 295.220 4.933 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CC1 2311442512 PERWKLCOIUCAGL-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1cc(F)cc(Cl)c1 2313527305 QAIGFJPJOXFNLX-LLVKDONJSA-N 267.775 4.651 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(C)=O)c(C)c1 2313623514 VJSALLYMGCWTAF-UHFFFAOYSA-N 260.402 4.811 30 10 CJEE C[C@H]1CC[C@H](CSc2ccc(C#N)cc2F)CC1 2313842589 NPLCSEAHYLCLAX-HAQNSBGRSA-N 263.381 4.616 30 10 CJEE CS[C@H]1C[C@@H](C[C@]2(C#N)CCCCC23CCC3)C1 2314258509 FECDEKROAOWCGE-LZWOXQAQSA-N 263.450 4.772 30 10 CJEE CCCC[C@](C)(C=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2316953714 UQKHUXZFAJWGAZ-QAETUUGQSA-N 250.426 4.988 30 10 CJEE C=CCC[C@H](C)[C@@H](CCCCC1CC1)NCCC 2318877913 TWBALANZWOIWLR-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2320151511 LOBBWIKOWYFPGA-ZJIFWQFVSA-N 251.458 4.639 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2320199488 GHJIZRRELXEENT-JKSUJKDBSA-N 251.458 4.737 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)c(F)c1 2321103209 XOESBFHXRCSLSM-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1csc(CC)c1 2321137695 MEYBDWWBUWXAEZ-OAHLLOKOSA-N 265.466 4.954 30 10 CJEE CC(C)c1ccc(SC[C@@]2(CS)CC2(F)F)cc1 2326884451 LJNOPMWGPDXNDH-ZDUSSCGKSA-N 288.428 4.857 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2C[C@@H](F)C2)CC1 2327489656 UOBJGUVAITVIQC-RGFKMBGESA-N 251.389 4.871 30 10 CJEE CCCC#CC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2327975465 QAGGQVRBIZNSQH-OAHLLOKOSA-N 285.214 4.703 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2333326875 FEFPNULJTVPAET-XGUBFFRZSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCN(C)[C@H]1CC[C@@]2(C(C)C)C[C@@H]12 2333326908 GKNURCSNICNMHX-BZSNNMDCSA-N 263.469 4.879 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)C(C)(C)C(F)(F)F 2335104247 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C=CCC(C)(C)[C@@H](C=Cc1ccccc1)NCCC 2344343670 FGQLQCDJTMBRJS-QGZVFWFLSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)cc1C)NCCC 2344350096 YUSFVYUQXHGQKS-CXAGYDPISA-N 279.855 4.771 30 10 CJEE C=CCC1(Nc2cc(Cl)nc3ccccc23)CCC1 2344365580 QUJAARXROCNXHP-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@@H]1CCC 2352214730 MPXVUCAJCSJPFB-XJKSGUPXSA-N 282.449 4.664 30 10 CJEE C=C(Cl)C[C@@H](NCC)C1CCC(CC(F)(F)F)CC1 2353601256 NISNHSHYQCLFFM-WXRRBKDZSA-N 297.792 4.866 30 10 CJEE CC(C)C[C@H](CS)CN1CCCC[C@H]1c1cccs1 2353841418 NRUKIICAUVJMDX-GJZGRUSLSA-N 297.533 4.867 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CC[C@@]12CCC[C@@H]1C2 2356017442 ATDVNBUKDKDQPO-KBAYOESNSA-N 280.452 4.637 30 10 CJEE C=CCC(CC=C)OCc1csc(CN[C@H](C)CC)c1 2360219707 MJOFAHQPNMJNOZ-CQSZACIVSA-N 293.476 4.674 30 10 CJEE CC(C)C1=CC[C@H](C)/C(=C/c2ccc(Cl)cc2)C1=O 27466392 YIEGUGCWMTVPJI-KPENOIPVSA-N 274.791 4.915 30 10 CJEE N#C[C@@H](C(=O)CCCc1ccccc1)c1ccc(Cl)cc1 36930784 ASTRBXVUJNOJRC-QGZVFWFLSA-N 297.785 4.539 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1cccc(Cl)c1 37089219 TXTGXDJUAXEBCA-LLVKDONJSA-N 288.753 4.832 30 10 CJEE Cc1ccc(C#N)cc1-c1ccccc1C(F)(F)F 49848651 UGSAFFZYIHBOTG-UHFFFAOYSA-N 261.246 4.553 30 10 CJEE CCCN[C@](C)(C#N)CCCCS[C@H]1CCC[C@H](C)C1 54695148 ZXELIGDCGRGEMT-ULQDDVLXSA-N 296.524 4.750 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2ccc(Cl)cc2)cc1 57684716 NYIDLEGILNFHIB-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1ccccc1OCC[C@@H](C#N)c1cccc(Cl)c1 57685925 SULPWFFVTXGORU-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1csc2ccccc12 88154860 MILBPIITLZGJMR-UHFFFAOYSA-N 293.391 4.969 30 10 CJEE C=C(CC)C[C@H](NCCC)C1(c2ccccc2)CCC1 97208712 CYCKUPCTBQXZJE-SFHVURJKSA-N 271.448 4.833 30 10 CJEE C/C(Nc1ccc(C)cc1)=C1\Sc2ccccc2C1=O 100094898 IHISQZLIAJLNDM-SFQUDFHCSA-N 281.380 4.627 30 10 CJEE CCCCCCCCCCCC[C@@H](COC)NCC 103933972 CQLFBEHHPUSJKF-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCNc1cc(F)cc(F)c1F 103987423 IINAKPDJYNACGM-UHFFFAOYSA-N 259.315 4.876 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C1CCC(C)CC1 110018584 JFBZCCLENMGXKG-ABHNRTSZSA-N 282.516 4.575 30 10 CJEE CCCCCCC[C@@](C)(Nc1ccccc1F)C(=O)OC 110320801 DKEFAMKSJYFGAQ-QGZVFWFLSA-N 295.398 4.530 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CNC(C)C 110326017 XZEHYEZJRGLAID-GOSISDBHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1CC[C@@H](NC)c2ccccc21 112726041 LFMHLSAIRQCGGY-QGZVFWFLSA-N 274.452 4.518 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCCOC1 116141328 XMDIWDFJBPZZCK-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCc2ccccc21 126259082 NIJHLGKDESDJRC-MOPGFXCFSA-N 288.479 4.689 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]1(OC)CCC[C@H](C)C1 131052573 PGUUCACFXWRLQE-BZSNNMDCSA-N 298.515 4.554 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Br)cc1Cl 131942476 RUNLQVVLJSFOMJ-VIFPVBQESA-N 288.616 4.869 30 10 CJEE Cc1cc(C)cc([C@@H](C)Nc2cc(C#N)cc(F)c2C)c1 132521276 IFFBWSFTWJAAML-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CCCCCCCCOC[C@@H](NCCC)[C@H](C)CC 132882735 CEUOTTQNCMRDRW-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)cc1F 158937538 PANFQPPDQKMLTR-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE CCCCCCCCNC[C@@H]1CCOc2ccccc21 161896823 TYQSLAYEMUBIPI-INIZCTEOSA-N 275.436 4.503 30 10 CJEE C[C@@H]1CC=CC[C@H]1COc1ccc(C(F)(F)F)c(C#N)c1 164499067 QYSMQNLASACXOL-NEPJUHHUSA-N 295.304 4.558 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1cccc2ccccc12 212968078 VWSVUMKTUOEQKF-LPHOPBHVSA-N 278.399 4.669 30 10 CJEE CC1(C)Cc2ccccc2[C@H]1Nc1ccc(C#N)c(Cl)c1 213189409 RHLITEJMCPHYRX-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE Cc1cccc(C)c1[C@@H](C#N)Nc1cccc(Cl)c1 215837065 KYSKSYZVLPNCQF-OAHLLOKOSA-N 270.763 4.634 30 10 CJEE Cc1ccc(CN[C@H](C#N)c2cccc3ccccc23)cc1 219526406 MRTPFKASBANXHU-HXUWFJFHSA-N 286.378 4.503 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCCC 219620672 SIZZYSKIRXTOPB-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cnn(C)c1C 221850723 NAIRNGUFDYOFHT-OAHLLOKOSA-N 279.472 4.520 30 10 CJEE CCCCCCC[C@@H](Cc1nccn1CCC)NCCC 228647698 ZULUSFZNSKGROE-KRWDZBQOSA-N 293.499 4.564 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](NC)c2cc(F)ccc2O1 229148040 GDHGNGMMZGMNHV-AEFFLSMTSA-N 293.426 4.988 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CCC3(CCCCC3)O2)CC1 229465621 UEEOOXFXSNKKHC-CGZBRXJRSA-N 275.436 4.978 30 10 CJEE CSc1cccc(Nc2cc(F)cc(Cl)c2)c1C#N 230016607 PLWLSBJXGPUPCX-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCCCCCC(=O)Nc1ccc(N)cc1 231225366 PEKAWQVVJIVLNG-UHFFFAOYSA-N 276.424 4.738 30 10 CJEE C[C@H](Nc1cc(F)ccc1Cl)c1ccc(C#N)cc1 231813216 KVMBHFMHUGKBFD-JTQLQIEISA-N 274.726 4.524 30 10 CJEE O=C(C1=CCCCCCC1)c1csc(Br)c1 232487323 SCJRCPIKHJPBHX-UHFFFAOYSA-N 299.233 4.974 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@H]1SCC 232935965 CPBNMWQXYBZQSQ-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CCC)C(C)C 232964075 MYNKMCZETUAWIV-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE C[C@@H](Oc1cccc(Cl)c1)C(=O)C1=CCCCCC1 235241660 FCPBCSZRPXKDNW-GFCCVEGCSA-N 278.779 4.567 30 10 CJEE C=C[C@H](C)Nc1c(Cl)cc(Cl)c2c1N=S=N2 235528490 WLBAMASIYYFUCX-YFKPBYRVSA-N 274.176 4.706 30 10 CJEE C=CCCCCC[C@@H](O)c1cc2c(s1)CCCC2 236550565 VVVCMWUEBAGICF-CQSZACIVSA-N 264.434 4.797 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@H]1[C@@H](C)CC 250827156 OJEVQBZGCPTKMZ-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)C[C@H]1C 250835472 UPZCTGXKIKOJCV-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1C[C@H]1C 252990334 AXWKMFLQUSCIDR-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cc(C)nc(C#N)c1 308275872 CETLQXKYDCJBDD-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCCCC2CCOCC2)C1 311333164 IVLJQGFUJNGSAG-DOTOQJQBSA-N 263.425 4.693 30 10 CJEE CCc1cccc(CC)c1Nc1nc(Cl)c(C#N)s1 311743948 BQVHQTVALFXGAL-UHFFFAOYSA-N 291.807 4.537 30 10 CJEE CC(C)C[C@H](C)CNc1ccc(C(F)(F)F)cc1C#N 312172449 ZVOYXRIQKLVOCU-NSHDSACASA-N 284.325 4.671 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cn(CC)cn1 312583855 UFBAWVPNEWXACD-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCC[C@@]1(C)CCC[C@@H](CNCC(C)C)O1 312682512 NONGAAZUHDLVAK-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CCC[C@@H](C)C2)CC1 317267511 HBZFTQFXWWAPID-GYXIZQIFSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@H](N)c1cccc(CSC)c1 327428746 HYICSOUHLFCOOH-INIZCTEOSA-N 265.466 4.910 30 10 CJEE CCCNC[C@H](CCC#CC(C)(C)C)c1ccccc1 383501060 BBHYPMPYRHNXSE-SFHVURJKSA-N 271.448 4.600 30 10 CJEE C=C(C)CCN[C@@H](C)c1cccc(Cl)c1Cl 386838125 XCBBKGQKKJVFNO-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C=CC[C@@H](CC)N[C@@H]1CCCc2sc(Cl)cc21 393807636 QBBUVAWQVOILIL-ZYHUDNBSSA-N 269.841 4.723 30 10 CJEE CC(C)CCCCCC/N=C1/N[C@@H](C(C)(C)C)CS1 393994869 PTNGQOPOHFYKAE-CQSZACIVSA-N 284.513 4.700 30 10 CJEE CC(C)C1CCC([C@H](C#N)NC2CCCCCC2)CC1 394202416 AHHJGPNMLSHXJF-HTWSVDAQSA-N 276.468 4.653 30 10 CJEE C=C[C@H](C)ON[C@H](CC)c1ccc(Cl)c(Cl)c1 400930046 NNUOPFCNRYJOIK-TVQRCGJNSA-N 274.191 4.540 30 10 CJEE CO[C@H]1CCC[C@H](C2(C=O)CC(C)(C)CC(C)(C)C2)C1 688279031 DUFDAHMQZJWKDF-GJZGRUSLSA-N 280.452 4.613 30 10 CJEE CO[C@@H]1CCC[C@@H](C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688339004 SEEDFMIDGOGVCI-HUUCEWRRSA-N 277.452 4.938 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)cc1C#N 695736085 COKYXDSMKWUSSY-UHFFFAOYSA-N 292.810 4.901 30 10 CJEE CCSc1cccc(NC2CCC3(CC2)CC3)c1C#N 695756777 OETQVKMYOXOLHN-UHFFFAOYSA-N 286.444 4.805 30 10 CJEE C[C@H](CCC#N)Nc1cc(Cl)c(Cl)cc1Cl 695836000 LHHYVCWVGUOSCI-SSDOTTSWSA-N 277.582 4.751 30 10 CJEE CCOC(C)(C)CC1(C=O)CC(C)(C)CC(C)(C)C1 702692138 BGAILCMGLASGMP-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@@H](C)c2ccccc21 704020740 AZOWPHHRBRGDNC-RHSMWYFYSA-N 257.421 4.817 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1C 709146633 FMCPXIFQGDVBRC-JKSUJKDBSA-N 256.393 4.638 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)[C@@]12CCCC[C@@H]1C2 709205663 RKOMFZPHODOBEM-GHJWDPDVSA-N 274.795 4.592 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC 710646187 SBZRORJTUICHHZ-MRVWCRGKSA-N 257.849 4.570 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCc2ccccc21)C(C)(C)C 711248375 LOCMDBRJGDYNHD-RDTXWAMCSA-N 255.405 4.857 30 10 CJEE CC(C)(CC/N=C1/NC2(CCCCCC2)CS1)C1CC1 713217186 VRBCBIDPLIGCCP-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCC1(N)CCC(N(C)C)CC1 715246525 ASTNRZAHJPOUAD-UHFFFAOYSA-N 282.516 4.719 30 10 CJEE C=CCCC(C)(C)Nc1ncc(C(F)(F)F)cc1Cl 717668324 YNYPBPRFKWTVBX-UHFFFAOYSA-N 292.732 4.911 30 10 CJEE CC1(C)CCCCC[C@H]1N[C@H](CC#N)c1ccccc1 718964812 FZLRZFJJHZHSQQ-IAGOWNOFSA-N 270.420 4.590 30 10 CJEE CCCCCCCCC[C@@]1(N)CCC[C@H](OCC)C1 721249797 PNTVDAGUSFRERA-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@@]1(N)CCO[C@@H](C(C)(C)C)C1 721504475 MPJWAJNWSCBVJN-NVXWUHKLSA-N 269.473 4.660 30 10 CJEE C[C@@H]1CC(C#N)(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 724291209 WELZPBUDICGXDL-GHMZBOCLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@@H]2CC(C)C)CC1 724605625 BAUWYHOBEYYMMT-KSZLIROESA-N 263.469 4.783 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)CCCCC(C)(C)C#N 821942895 QLAAAAVYQCPOJN-JKSUJKDBSA-N 264.457 4.607 30 10 CJEE Cc1ccc(C)n1-c1ccc(C=NNc2ccccc2)cc1 1088691855 ANYBPULZZUBLOT-UHFFFAOYSA-N 289.382 4.540 30 10 CJEE C=CCC1(C(=O)N2CCC[C@H](CC)CC2)CCCCC1 1126030777 RZXZNCVCZSLRSG-INIZCTEOSA-N 277.452 4.552 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H](C)CC1CCCCC1 1133177525 PXUYXOIFHMQAJN-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C=CCCCN(CC)C(=O)CCc1cccc2ccccc12 1134802102 HCOOKSPIOUFHPH-UHFFFAOYSA-N 295.426 4.587 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ncccc2C)C(C)(C)C)C1 1184218963 QXJGNUHJOYTUAW-RYRKJORJSA-N 286.463 4.812 30 10 CJEE C#CCC1(NCc2ccc(C(F)(F)F)cc2)CCCCC1 1203809959 OBHXWEPDNANJEK-UHFFFAOYSA-N 295.348 4.521 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@@H]1C 1258229039 LYEYGAMKGXYHHO-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C=CCOc1ccc(OC(=O)CCCCC(C)(C)C)cc1 1265464672 KPFMNHDVHWJMNW-UHFFFAOYSA-N 290.403 4.763 30 10 CJEE C=CC[C@@H]1CCN1C(=O)c1ccc(C2CCCCC2)cc1 1304671469 JYSFBEICSVZTLA-GOSISDBHSA-N 283.415 4.525 30 10 CJEE C#CCN(C[C@H](C)CC(C)(C)C)[C@H]1CCc2ccccc21 1307430514 DNRLKQOKOIUFIR-APWZRJJASA-N 283.459 4.681 30 10 CJEE C#C[C@](C)(CC)NCCCCc1ccc(Cl)c(Cl)c1 1307781255 DNXWCNSCLIICNO-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C=CCCC[C@@H](NCc1ccnc(C)c1)c1ccccc1 1308041486 VBPREGALMVFTAY-LJQANCHMSA-N 280.415 4.577 30 10 CJEE C#Cc1ccc(CNc2ccc(CCCC)cc2)cc1 1308212325 ZVDOHAALMIXQCM-UHFFFAOYSA-N 263.384 4.623 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 1351277787 PFBHNWWUPQQYHK-YTQUADARSA-N 299.458 4.821 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)c1cc(Cl)cc(Cl)c1 1360337626 KTSQIIAMGATNRT-CQSZACIVSA-N 286.202 4.559 30 10 CJEE C=CCC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC1 1434878359 QBKANEJUHZXPNW-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE C=CC(C)(C)CNc1nc2c(C)cc(C)cc2s1 1458385384 QBHPRUKQOGWMOL-UHFFFAOYSA-N 260.406 4.537 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H](C)c1ccccc1C 1459342891 ARHDSZVEYZPWBS-MRXNPFEDSA-N 283.390 4.883 30 10 CJEE C=CC[C@@H](CC)NC(=O)C(C)(C)c1ccc2ccccc2c1 1459614905 BWYZMFVGDKNBNB-GOSISDBHSA-N 295.426 4.588 30 10 CJEE C#Cc1cccc(N(Cc2cccs2)CC2CC=CC2)c1 1459722188 JGJPARPPINAROH-UHFFFAOYSA-N 293.435 4.702 30 10 CJEE C=CCCCCCNC1(c2ccccc2Cl)CC1 1460295090 XZRAVTFIAVIWBG-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE CCCCCCCCCN1CCC[C@H]1C(F)(F)F 1460973517 LJAPNKYXAPIKSZ-ZDUSSCGKSA-N 265.363 4.764 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 1461119120 CVGLYINAVMOPIH-WCQYABFASA-N 284.230 4.828 30 10 CJEE C#Cc1ccc(CN2CCCCC[C@H]2c2ccc(C)o2)cc1 1461901013 LKOISLUMYJGXSS-IBGZPJMESA-N 293.410 4.687 30 10 CJEE C=C(C)c1cccc(NCc2cccc(C)c2F)c1 1474290995 IZWMDUAKANSTIO-UHFFFAOYSA-N 255.336 4.779 30 10 CJEE C=C(C)c1cccc(N[C@H](COC)CC(C)(C)C)c1 1474740378 MAAHNQFALXYYJH-INIZCTEOSA-N 261.409 4.583 30 10 CJEE C=CC(C)(C)CC(=O)N(C1CCC(CC)CC1)C1CC1 1514989914 UQNBBUKHSMWIMJ-UHFFFAOYSA-N 277.452 4.549 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](CC)c1ccc(C)cc1 1521193167 UMCZTEUSPXVCFE-QGZVFWFLSA-N 272.388 4.758 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1Cl)C(C)C 1531337657 SWRMONWVDIELMT-MRXNPFEDSA-N 293.838 4.756 30 10 CJEE C#CCCCCCC(=O)N1c2ccccc2CC[C@@H]1CCC 1533638873 XLXGXSNPLPXHNJ-SFHVURJKSA-N 297.442 4.718 30 10 CJEE C#CCC1(NCc2ccc(OCCC)cc2C)CCCCC1 1560600588 SEYDSLDJLWKMPR-UHFFFAOYSA-N 299.458 4.600 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](C)CC(C)(C)c2ccccc2)CC1 1560993694 MYWWRPCJPHAZJL-LNLFQRSKSA-N 283.459 4.524 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1cnc2ccccc2c1)C(C)C 1586432766 FVZIGIPPJPNEMV-OAHLLOKOSA-N 296.414 4.579 30 10 CJEE C=CC1CCN(Cc2nc(C3CCCCC3)cs2)CC1 1615520004 OVLOYRNIZGIUSF-UHFFFAOYSA-N 290.476 4.589 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 1627249859 SWCWRUMROXXONL-GUDVDZBRSA-N 297.442 4.528 30 10 CJEE C=CCN(CC1CCCCC1)CC1CC2(CCC2)C1 1641770177 OQLAAENKWFBFTJ-UHFFFAOYSA-N 261.453 4.635 30 10 CJEE C=CCCC1(CNc2ncnc3ccc(C)cc23)CCCC1 1642929423 XTHACBWJCMEPHL-UHFFFAOYSA-N 295.430 4.877 30 10 CJEE C=C(C)CN(CC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1643905405 PFPDMNZBTGAISC-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H]1C[C@@H]1c1cccc(F)c1 1644389344 PQGJXKIQGJWKEX-MJGOQNOKSA-N 299.364 4.509 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1C1CCOCC1 1645073561 UNCXAMIVGYSCGR-GOSISDBHSA-N 281.484 4.628 30 10 CJEE C=CCCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 1645251147 JBRGRRBPLHOZLO-UHFFFAOYSA-N 283.337 4.640 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(-c3nccs3)c2)C1 1651997274 IUFDSDIDAGDXRW-CZUORRHYSA-N 284.428 4.967 30 10 CJEE CCCCCCCN[C@H](C)c1ccc2c(c1)CCCO2 1654296896 KCWJTRDPWBVWOF-OAHLLOKOSA-N 275.436 4.633 30 10 CJEE C=CCCc1ccccc1NC(=O)N1[C@@H](C)CCC1(C)C 1661125253 ZLEXLAOYJIBMMD-AWEZNQCLSA-N 286.419 4.600 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 1664297155 ZXAUOBPUBVIZRG-DUPRYPCISA-N 296.458 4.832 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](C)OC(C)(C)C 1876974224 NNDZOBGQKOOUBP-HZPDHXFCSA-N 269.473 4.695 30 10 CJEE C=CCCN(CCC1=CCCCC1)Cc1ccccc1 1883413932 RHZAGOFKNZFYDX-UHFFFAOYSA-N 269.432 4.955 30 10 CJEE C=C1CCC(C[C@@]2(O)CC(C)(C)CC3(CC3)C2)CC1 1886400682 CBEFIYPUEYHFKK-GOSISDBHSA-N 262.437 4.844 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(F)cc1Cl 1887465006 QVGUOGIDNFTBJG-MLGOLLRUSA-N 281.802 4.569 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1sccc1Cl)C1CC1 1887491172 YZSOTYBBHQHMHB-HIFRSBDPSA-N 295.879 4.882 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 1903213664 IRWXTSGDMOYUPX-JMCQJSRRSA-N 279.594 4.892 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCC=Cc1ccccc1 1911929494 ZDDVUOPDOCLQNS-OALUTQOASA-N 269.432 4.814 30 10 CJEE CC(=O)C=C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1912022349 PCTFVCRIUUNAMF-UHFFFAOYSA-N 296.210 4.717 30 10 CJEE CCCCCCCCCN(Cc1ccccc1)C[C@@H](C)N 1914658588 ZQYPTHQWPDYOME-GOSISDBHSA-N 290.495 4.586 30 10 CJEE C[C@@H](CC#N)N(Cc1ccccc1)[C@H](C)c1cccs1 1915378437 NPOBODBBEJIXFN-LSDHHAIUSA-N 284.428 4.613 30 10 CJEE C[Si](C)(C)C#CCNc1ccccc1-c1cccs1 1916245859 LPOXKSUSTZLRGT-UHFFFAOYSA-N 285.488 4.708 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)[C@@H](C)CC 1917954937 KIRPTCAXHAXHIO-WMLDXEAASA-N 261.475 4.972 30 10 CJEE CCC[C@@](O)(C1CCCC1)C1(C#N)CCC(CC)CC1 1921050020 RESIQTFYVKBKDG-VMWRSERWSA-N 277.452 4.818 30 10 CJEE C=C([C@H](NC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922968380 NQJOKZKVSBRSRU-ZDUSSCGKSA-N 288.294 4.688 30 10 CJEE C=C([C@]1(O)CCCC[C@@H]1C1CCCCC1)[Si](C)(C)C 1923051716 HHKJUJMLWJRTMN-IAGOWNOFSA-N 280.528 4.922 30 10 CJEE 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C=C(Cl)COC(=O)CCCCCCCCCC 2008935270 SKGCXSBGLQQJCS-UHFFFAOYSA-N 260.805 4.813 30 10 CJEE C=C([C@H](NCCC)C(C)(C)C(F)(F)F)C(C)(C)C 2035427205 PFUPQXODOIBOOG-NSHDSACASA-N 265.363 4.545 30 10 CJEE Clc1cc(Cl)cc(CCC[C@@H]2CCC[C@@H]3O[C@@H]32)c1 2035577305 XYODVARBPFFTEG-BYCMXARLSA-N 285.214 4.884 30 10 CJEE CC(C)C[C@@H](C)[C@](C)(C#N)Nc1cccc(Cl)c1 2036375405 OYASFLSTKYVUAW-DOMZBBRYSA-N 264.800 4.716 30 10 CJEE CC(C)C[C@H](C)[C@@H](C)Nc1ccc(C#N)c(Cl)c1 2036391387 ZTVVULCZHRJXET-NWDGAFQWSA-N 264.800 4.694 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(F)cc1Cl 2040527368 WBIRKKHUAJHQCD-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CCC[C@H](C)[C@]1(CNCCC)CCCC[C@@H]1C 2040530389 QNJCPTKTGXAGHH-YESZJQIVSA-N 251.458 4.785 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1cc2c(s1)CCCCC2 2040531571 YOIZEWFGFMYOHM-LRDDRELGSA-N 263.450 4.619 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1 2041379352 KOHVLYLUZOMLJL-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCO[C@H]1CCCCC1=O 2043769771 BQQXQJJTGOIDRL-INIZCTEOSA-N 254.414 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263.406 4.586 30 10 CJEE C=C(F)C[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 2062220583 MISUQSSXVJGUCQ-QLFBSQMISA-N 255.421 4.690 30 10 CJEE CC[C@](C#N)(c1ccc(C(F)(F)F)cc1)C(C)C 2064490205 XTFPAKJQOUDIPH-CYBMUJFWSA-N 255.283 4.533 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1ccc(Cl)c(Cl)c1 2064491503 AJOXHBBNEFJTIV-UONOGXRCSA-N 286.202 4.603 30 10 CJEE CCCCCCC[C@H](CC1CC(C)(F)C1)NCC 2065817450 NMQRQNWXTWNNJX-HWOWSKLDSA-N 257.437 4.853 30 10 CJEE C=CCCCCC[C@]1(CNCCC)CCC1(C)C 2068232873 JBLPSXDCRGUFQX-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC2(C(C)(F)F)CCC2)C1 2071304836 HJPAOSPCANSICW-OCCSQVGLSA-N 258.352 4.597 30 10 CJEE CCCC[C@H](CC)N(C)CC1(CS)CCCCC1 2073418670 GIBFHTMFVVLYLT-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE C[C@@H](n1nc(C2CCC2)c(C#N)c1C(F)(F)F)C(C)(C)C 2078992226 LKRDSQGQXSELRF-SECBINFHSA-N 299.340 4.648 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCCC(C)(F)F)C1 2081759647 JWCCUDNIFLYADX-ZFWWWQNUSA-N 260.368 4.988 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)ccc1F 2083765074 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CC[C@@H](CC#N)N(C)[C@H]1CCCCC12CCCCC2 2110012436 ZXTYRPYRERNJPT-HOTGVXAUSA-N 262.441 4.504 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1ccc(Cl)cc1F 2111315101 WNBFQILUYFBXAM-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CCC[C@@](C)(C#N)[C@](C)(O)C1CCC(C(C)C)CC1 2112096822 ZANBKCDLIKOUQB-SJJHQCBESA-N 265.441 4.530 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2CC(C(F)(F)F)C2)C1 2112216203 AKNHOAQIMQTAEP-YIZWMMSDSA-N 276.342 4.751 30 10 CJEE Cc1ccc(C(C)C)cc1OC[C@@H](CS)CC1CC1 2112867975 FBKIUBQIDVTLFU-HNNXBMFYSA-N 278.461 4.843 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)C(CCC)CCC 2115647554 LPXWVNADGBITCN-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc2cccc(Cl)c2o1 2116658235 MPBSXHURLNNNED-BXUZGUMPSA-N 277.795 4.949 30 10 CJEE COC1(CC[C@@]2(C#N)CCCCC23CCC3)CCC1 2116998607 YRRWQOLVLKNGLJ-MRXNPFEDSA-N 261.409 4.590 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](NC)C[C@@H]1OC 2119421632 RNWXQKXUWMXGHM-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(F)c(NCC2CCCCCC2)cc1Cl 2120881901 QOXMZAKIOXVCLL-UHFFFAOYSA-N 280.774 4.733 30 10 CJEE C=C(F)C[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2126112006 SHNJLSRKQZJPGO-TWMKSMIVSA-N 267.432 4.834 30 10 CJEE C=C[C@@H](C)C[C@H](CC1CC2(C1)CC(C)(C)C2)NCC 2126790288 BGXZIEMCYBAPTL-GDBMZVCRSA-N 263.469 4.783 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC2CC3(C2)CC(C)(C)C3)C1 2126795575 UIWHMXWUBRNNSR-RHSMWYFYSA-N 262.437 4.988 30 10 CJEE CCCCCCCCC[C@@H](N)CCCOCC1CC1 2128356443 WHYMORCYILKRJA-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)CC1CCCCCC1 2130935397 RFNPXWPEMDETCQ-QGZVFWFLSA-N 279.544 4.596 30 10 CJEE CN(CCCCCCS)[C@H]1CCCC[C@@H]1C(F)(F)F 2131338247 NNPKDJGIXOUOFY-STQMWFEESA-N 297.430 4.530 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134479298 BXULGMVHCGMACH-SOMFZHDCSA-N 264.453 4.780 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1ccc(Cl)c(C)c1 2136042209 USRIAHNFCPRJEM-OAHLLOKOSA-N 282.811 4.553 30 10 CJEE CCCCC#CC[C@@H](O)c1ccc(CC(C)C)cc1 2138912703 RQXJZHYOHCKTFJ-GOSISDBHSA-N 258.405 4.502 30 10 CJEE CCCCCC#CCN[C@H](C)[C@H]1CCCC(C)(C)C1 2138956293 JUIXDRWTOCPGNJ-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cccc(C)c1C 2138957732 ZJPSHMSYEFHNPF-GOSISDBHSA-N 257.421 4.538 30 10 CJEE CCCCCC#CC[C@H](N)C1CCC(CCC)CC1 2138961749 ROIDGYFXLZZYQR-ABHNRTSZSA-N 263.469 4.894 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CCCC[C@@H]1CC 2138982954 BFJJSALPMMCNFC-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccsc1C(F)(F)F 2138991398 SXDHLMTXKVCIKX-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE CCCCC#CC[C@H](NCCC)C(C)(C)C1CCC1 2139003892 WGQRANMJAZIZSK-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1cc(C)co1 2139004373 ZAPWHIDMTHKLFK-MRXNPFEDSA-N 261.409 4.603 30 10 CJEE CCCCC#CCC[C@@H](CC1CCCCC1)NCC 2139009532 VHRHICICNOYKGI-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@](C)(N)C(C)(C)C 2139195100 HTLBLLIAIAQPCY-DOTOQJQBSA-N 271.489 4.642 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(P(C)(C)=O)CC1 2139588717 WZPNAPVSWLSBPI-OAHLLOKOSA-N 287.428 5.000 30 10 CJEE C=CCCCCCC[C@@H](N)CCc1cccc(C)c1 2141922853 JUMQCRRBFHQJTC-GOSISDBHSA-N 259.437 4.782 30 10 CJEE C=CCCCCCCCCN(C[C@@H](C)OC)C(C)C 2142390707 GFYAKVYVWFBKMZ-QGZVFWFLSA-N 269.473 4.648 30 10 CJEE C=CCCCCCCCCN1CCCC[C@@H](C)C1=O 2142392316 GWEIUEDHRDQFRF-MRXNPFEDSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](N)CC(C)C 2142428136 PNEODVZPIAFFPS-INIZCTEOSA-N 267.457 4.626 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@H]1C(C)(F)F 2142443910 NMQHVRGACOHEEV-LSDHHAIUSA-N 273.411 4.784 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1C[C@@H]1C(F)(F)F 2142449552 BEQIHRSKZDDKMW-RDBSUJKOSA-N 277.374 4.819 30 10 CJEE CCCCCCCCN[C@@H](C)c1cnn(C2CCC2)c1 2143578504 CFNLNRNMNYXZBQ-HNNXBMFYSA-N 277.456 4.619 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccccc1CCC 2144501187 SJNPOGXISUGMGH-LJQANCHMSA-N 271.448 4.873 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC1(C)CCCC1 2148005735 VUOYCWJFKQUPLC-DLBZAZTESA-N 283.500 4.786 30 10 CJEE CCCCCCC[C@H](NC)[C@H](O)CC1CCCCCC1 2148577538 FXWDMFNIYRSPHG-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1ccc(Cl)c(C)c1 2149857898 NBPAVDBZUKYBSG-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CC1(N=C2NC3(CCCCC3)CCS2)CCCCCC1 2150838901 FQBHVEFSNXOCSF-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE C=C1CCC(C[C@H](C[C@@H](CC)COC)NCCC)CC1 2152358330 LCNOKBBRFHUCOS-AEFFLSMTSA-N 281.484 4.554 30 10 CJEE CCC[C@H](C)CN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2152822017 LANGGCCQUNXUGN-VVLHAWIVSA-N 278.484 4.709 30 10 CJEE C=C([C@H](NCCC)C1(c2ccccc2)CC1)C(C)(C)C 2152923755 FVZZDRRTUQVWIM-KRWDZBQOSA-N 271.448 4.689 30 10 CJEE Cc1cccc(N[C@]2(C#N)C[C@H]3CCCC[C@]3(C)C2)c1 2154232655 KNJVPMPLNOLIHF-KBAYOESNSA-N 268.404 4.660 30 10 CJEE CCCCCCC[C@@H](O)[C@@]1(CN)CCCC(C)(C)CC1 2157117867 PVGMJMDQYPRHGE-AEFFLSMTSA-N 283.500 4.643 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@H]2C[C@@H]2c2ccccc2)C1 2159590716 GCXKAXNBVPIKTR-SJORKVTESA-N 269.432 4.515 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cnc(N(C)C)s1 2164088637 VVEGQSOVSXWBNY-CQSZACIVSA-N 297.512 4.610 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccccc1OCC=C 2164121446 HLLPEAYYQQHMPN-YJBOKZPZSA-N 273.420 4.504 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](CN)CC(C)C 2164195884 KOLYLTHKXDUSKM-ROUUACIJSA-N 284.532 4.726 30 10 CJEE C=CC1(C[C@H](CCc2cccc(C)c2)NCC)CCC1 2168028567 NJQKBVHWRGOPMU-SFHVURJKSA-N 271.448 4.652 30 10 CJEE CCC1CCC([C@](C)(O)C2(C#N)CCC(C)CC2)CC1 2168402176 STNJUNKTFRGSFN-LESVLKBLSA-N 277.452 4.674 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@@H]3CCC[C@@H](C)C3)C[C@@H](C1)C2 2168634800 HEJWTYBNSZHATC-RRYPLGMKSA-N 275.480 4.926 30 10 CJEE CCC1CCC(C=O)(Cc2csc(C(C)(C)C)n2)CC1 2169852322 CZHWLYHLVTVGGT-UHFFFAOYSA-N 293.476 4.769 30 10 CJEE N#CC[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1 2170027936 YPDQNTSPQAUVIN-IAGOWNOFSA-N 282.412 4.540 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](c2ccco2)C1 2170624531 TXBHCXDTHUNQPR-OAHLLOKOSA-N 295.492 4.585 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(C(C)C)cc1)NCCC 2173290139 KFVDAUMWEZULMF-QFBILLFUSA-N 273.464 4.933 30 10 CJEE CC(C)(C)SC[C@](C)(O)[C@@]1(C#N)CCCCC12CCC2 2173624926 GCZQHRKSRSVUEP-RDJZCZTQSA-N 295.492 4.523 30 10 CJEE CCC#CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)(C)C 2174096227 SMNVHSFISXLXJH-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCCOCCCC1CCNCC1 2176189765 IFWXQWUIKQKFTP-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCCC[C@H]2C(F)(F)F)cc1 2177231761 IEOTXTNIUYDDNR-HUUCEWRRSA-N 281.321 4.591 30 10 CJEE N#Cc1cc(F)c(N[C@H]2CCC3(CCCC3)C2)cc1Cl 2177393352 QKDUTMZCJAQUEW-LBPRGKRZSA-N 292.785 4.876 30 10 CJEE C=CC[C@@H]1CCCCN1c1cccc(Cl)c1[C@@H](C)NC 2178456429 JROUKCSPVVKUBC-ZIAGYGMSSA-N 292.854 4.555 30 10 CJEE CCC1(CC)CC(N=C2N[C@@]3(CCCC3(C)C)CS2)C1 2179353732 FYEOIEFOLHILES-KRWDZBQOSA-N 294.508 4.597 30 10 CJEE C=CCCCC[C@@]1(CNCCOC)CCC[C@@H](CC)C1 2179681083 LKKYORXQSDWJLT-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE CC[C@@]1(C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCCCO1 2181672625 ZGBAQDMMZKQLFL-YJBOKZPZSA-N 278.436 4.677 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2CSc3ccccc32)C1 2182168586 CZRJILBLSGZOKZ-IRXDYDNUSA-N 287.472 4.600 30 10 CJEE C=C(F)C[C@H](NCCC)C(CC)(CC)c1ccccc1 2182512716 OCELWAFYBLPKAI-KRWDZBQOSA-N 277.427 4.986 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccc(F)c2ccccc12 2182513372 RIYBTJVWNPNWOP-QGZVFWFLSA-N 275.342 4.893 30 10 CJEE CC(F)(F)c1cccc(C2(C#N)CCCCCCC2)n1 2185917735 RDQCGNJFIDJXKE-UHFFFAOYSA-N 278.346 4.699 30 10 CJEE CC(C)(C[C@]1(C#N)CCOC12CCCCC2)C(F)(F)F 2190631333 OBXYBZVWTLHMET-ZDUSSCGKSA-N 289.341 4.598 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](C)OC(C)(C)C 2192192648 IPYRZVRDTPKXLK-HZPDHXFCSA-N 286.504 4.553 30 10 CJEE CCC[C@H]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)CC1 2192845930 OBPUZSYBRCUDAE-MQMHXKEQSA-N 267.376 4.508 30 10 CJEE C[C@@H]1CC[C@]2(CSC(=N[C@@]3(C)CCCCC3(C)C)N2)C1 2194676310 DDCCDALVYPJSLN-XOKHGSTOSA-N 294.508 4.597 30 10 CJEE CCCP(=O)(CCC)CCCOc1ccc(C#N)cc1 2195089393 OSDFBPVENIUVQC-UHFFFAOYSA-N 293.347 4.510 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 2196173565 FEAUVXGLIWFFHB-OTWHNJEPSA-N 277.496 4.868 30 10 CJEE CCCCCCCN(C)C[C@H](NCC)c1ccc(C)s1 2196736030 CZHSITBHMYSALD-INIZCTEOSA-N 296.524 4.609 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNC(C)C)CCCCC12CCC2 2196855273 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2261056783 KUTBGBWJPRVCNY-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE CCCCCCCCc1sc(N)c(C(C)=O)c1C 2263708832 QOFKSCDOHPZEBT-UHFFFAOYSA-N 267.438 4.744 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@H]1C(=O)OCC 2263713838 UJIYDQPMNASHPL-GOEBONIOSA-N 254.414 4.716 30 10 CJEE COCC1(CCC=CC#CC(C)(C)C)CCCCC1 2268762002 PNCRYLBAALSIAO-UHFFFAOYSA-N 262.437 4.969 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C1(C(C)(C)C)CCC1 2268794972 VCYPBDHQQYKFCK-HNNXBMFYSA-N 262.437 4.560 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCC1 2271786520 YRTRJKIRWUTQFW-KURKYZTESA-N 263.469 4.927 30 10 CJEE O=C(C#CC1CCCCC1)CSc1ccccc1Cl 2273900503 FNPBHQJGUHHWDF-UHFFFAOYSA-N 292.831 4.585 30 10 CJEE C=CCCCCCCC[C@H](CCC1CC(C)C1)NN 2274620972 QVQNJWVTDPXYSS-OFLPRAFFSA-N 266.473 4.561 30 10 CJEE C=CCCCCCC[C@](C)(CCCCC)OCCN 2276154187 NFMRHPCUWAZGJG-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@@H](C)CC(C)C 2276157825 CMHZVPSYOSQJQC-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C(C)(C)CC 2276347639 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C=CCCC[C@@]1(OCCC(=O)O)CCCCCC1(C)C 2290650516 SDYHCJQLFYJELB-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@H]1CC[C@@H](C)C1 2292652473 KLHFAOQIMMINEF-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@H]1[C@@H](C)[C@H]1C 2292794028 VMVPFLCBIZWDKQ-MHORFTMASA-N 281.484 4.539 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCC(F)(F)F)OCCN 2292795006 AJJJPYZGVHKWRT-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C(C)(C)C1CCCC1 2293111278 KVDNSVXNZNAKFH-NVXWUHKLSA-N 281.484 4.539 30 10 CJEE CC#CCC[C@H](CCCCCCCCC)OCCCN 2293197382 USOFHSIXOWEXPU-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)C[C@@H](C)CC(C)(C)C1 2293350155 VPVVXWJGTUCHBB-KBXCAEBGSA-N 281.484 4.539 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)[C@H]1CCC[C@H](C)C1 2293362064 MFWSMWDGACCENI-ZVZYQTTQSA-N 281.484 4.539 30 10 CJEE CCCCCCCCCCC1(OCCN)C[C@@H]2C[C@H]2C1 2293504961 PCAFPEPZMCWCSI-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1(C)CC(C)(C)C1 2293687152 CXMAENNWUQFVCK-MRXNPFEDSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCCC[C@H]1C 2293890099 LSQXVVVUUYAMDO-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)C1CCC(CC)CC1 2293892520 IPMNVPHTUFOXDO-DAWZGUTISA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H]1CC[C@@H](C)C1 2294017772 HYCHLERCJBEZDU-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@@H]1C=CCC1 2295596776 NTMJKWCNYPUXJG-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE C=C(C(=O)[C@@](C)(O)CCCCCCCCC)[Si](C)(C)C 2295604394 WRRBQNZBFMNVSA-KRWDZBQOSA-N 298.543 4.881 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc2sccc2s1 2301028196 FCROAQUGKDJIBA-CQSZACIVSA-N 264.415 4.765 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C(F)F)cs1 2304050679 ZXKIUHYFVLXJDC-WCQYABFASA-N 259.365 4.678 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H]2CC[C@@H]1C2 2313155741 RYYYQIDZPMKKBL-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1N 2313530713 AGUQEHMGONZEHB-BYNSBNAKSA-N 269.498 4.616 30 10 CJEE C=CC[C@H](C)Sc1ccc(Cl)cc1C[C@@H](N)CC 2313531364 IQAVWZZEKBQTAL-FZMZJTMJSA-N 283.868 4.677 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H](CC)CCC 2316714892 KNKXIRPVIVBEGI-NVXWUHKLSA-N 251.458 4.949 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2317934120 NXJBGESKOCGVKG-LLVKDONJSA-N 287.856 4.807 30 10 CJEE C=C([C@H](CCC[C@H]1C[C@H]1C)NCCC)C(C)(C)C 2318944992 VMKLVNVYKHPNBR-KBMXLJTQSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@@H](NCC)c1sc2ccccc2c1C 2319297902 UUOHJYYNBWRNPH-CQSZACIVSA-N 259.418 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@H]1CCC(C)(C)C1 2321644698 HGBQFAQUZRDULY-UXLLHSPISA-N 252.442 4.946 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CC[C@H]2CC[C@H]1C2 2327107847 ZUBLGNDDWHLQOX-HLPPOEQASA-N 270.482 4.564 30 10 CJEE Cc1c(Cl)ccc([C@](C)(N)C#CC(C)(C)C)c1Cl 2327981099 FRSDKLFOWROOGA-OAHLLOKOSA-N 284.230 4.525 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCC12CCC2 2329866779 ULLMWMLQKNASJY-CXTNEJHOSA-N 265.347 4.532 30 10 CJEE CCCCCCCN(C)C[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330241645 BCXFRPUPJYIKMU-KKUMJFAQSA-N 273.411 4.570 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334288536 VMUCKKDDCHVECS-XGELKXPVSA-N 262.437 4.844 30 10 CJEE CCCCCCCCC[C@H](N)C#CC1(SC)CCC1 2336226008 OOGVJUUSEZKXMO-INIZCTEOSA-N 281.509 4.744 30 10 CJEE CCCN[C@H](C#Cc1cccs1)C[C@H](C)C(C)(C)C 2338392289 DUJACHODYPJUCQ-LSDHHAIUSA-N 277.477 4.540 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338737071 ADCPYFUZQWGBIA-BHYGNILZSA-N 260.421 4.908 30 10 CJEE C=CCC(CC=C)[C@H](CSc1ccccc1)NCC 2338740702 HPUTYAMCHILKJX-KRWDZBQOSA-N 275.461 4.525 30 10 CJEE CCC[C@H](CS)CN(C)Cc1cccc(C(C)C)c1 2343713261 MJASQZGWRMILKJ-INIZCTEOSA-N 279.493 4.588 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)C1CC(C2CC2)C1 2344336492 JNYYKIRIBNBZRV-ZGUYJTEBSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC[C@@H]1CC1(F)F)NCC 2344375514 CRBDYMXCWUDDPL-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(F)cc(F)c1 2344379289 XIWOTJUSZIQMFB-HOTGVXAUSA-N 267.363 4.608 30 10 CJEE CC[C@@](C)(CCCC(C)C)OC[C@@]1(CS)CC1(F)F 2351886399 YUALUBGPYFTPKD-UONOGXRCSA-N 294.451 4.953 30 10 CJEE FC1(F)C[C@]1(CS)COCCC1CCCCCCC1 2351893003 XMXSZRKLXOZPMF-CQSZACIVSA-N 292.435 4.709 30 10 CJEE C=CCC[C@H](C)[C@@H](O)C1CCC(CC(F)(F)F)CC1 2353640777 MYNWZTAKIFTDIB-GFJIZPEISA-N 278.358 4.708 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@@H]2CC[C@H]1O2 2353909927 WGVOFFVAFGKKPY-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE CC(C)[C@@]12CC[C@@H](N(C)CC3(CS)CCCCC3)[C@@H]1C2 2355801943 GLIIUHZHSAJIKS-JZXOWHBKSA-N 295.536 4.623 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc2c(c1)CCCC2 2360209588 GDRANBRRIZJBFR-HNNXBMFYSA-N 269.432 4.737 30 10 CJEE C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)O1 15169855 FJWOJBDVJXUBLL-AQQQZIQISA-N 290.447 4.532 30 10 CJEE C#Cc1cccc(N[C@H]2CCCCc3ccccc32)c1 21016615 HMVFOFXUBKWSNN-IBGZPJMESA-N 261.368 4.548 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccccc2Cl)cc1C 37938341 YAUFWNDFECODSP-INIZCTEOSA-N 270.763 4.634 30 10 CJEE N#C[C@@H](c1cccc(Br)c1)C1CCCCC1 41431810 WMRDCFRMSBYGAC-CQSZACIVSA-N 278.193 4.637 30 10 CJEE Cc1cc(C)cc([C@@H](C#N)Nc2cccc(Cl)c2)c1 43394604 ZSTZMMRNHGSNKS-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCc1ccccc1[C@H](C#N)Nc1ccc(Cl)cc1 52204014 PFAYRVOMLQDTBA-INIZCTEOSA-N 270.763 4.579 30 10 CJEE N#C[C@@H](CCOc1ccc(Cl)cc1)c1ccccc1F 57686381 OTTLFNMSUPUEQZ-GFCCVEGCSA-N 289.737 4.555 30 10 CJEE CCCc1c(C#N)oc2ccc(-c3ccccc3)cc12 77071989 UQJPQOZIBPMQOL-UHFFFAOYSA-N 261.324 4.924 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCC(C)(C)CC1 86907947 XTMJIQSWNBUZCF-OAHLLOKOSA-N 256.393 4.638 30 10 CJEE CCC(CC)n1ccc(CC2(C#N)CCC(C)(C)CC2)n1 87940050 RKWWCLBDZYIBKD-UHFFFAOYSA-N 287.451 4.897 30 10 CJEE CCC(CC)N(CC(C)C)[C@H](CC#N)c1ccccc1 93309025 MLRFHROYJPBSCU-GOSISDBHSA-N 272.436 4.788 30 10 CJEE N#CC[C@H](Sc1cc2ccccc2[nH]1)c1ccccc1 94629355 ANPLOIDMHPYNEY-INIZCTEOSA-N 278.380 4.915 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(OCCCC)cc1 97283886 ZHHZCHPMGWPWDI-GOSISDBHSA-N 275.436 4.872 30 10 CJEE O=C1/C(=C\c2cccc(Cl)c2)CC[C@@H]1C1CCCC1 104375852 CRRLBOLHOXGXHB-SCOADAFUSA-N 274.791 4.893 30 10 CJEE CCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 104700591 QKBQYYCINFPLRE-PWDIZTEBSA-N 280.396 4.863 30 10 CJEE CCCCCCCCCCN(C)Cc1cccc(CN)c1 110105650 QZWNMBCDAFGLST-UHFFFAOYSA-N 290.495 4.718 30 10 CJEE CCCCCCCCCN1CCC([C@H](C)NCCC)CC1 111710100 IVNRSHAMFDPVDC-SFHVURJKSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCN1C[C@@H](CC(C)C)NCC[C@@H]1C 115266943 KANDZXPODHTCOD-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(OC)c(OC)cc1F 115857243 HZYMFPKIXXDVTF-OAHLLOKOSA-N 297.414 4.593 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccc(F)cc1F 115858198 CHCLEBQDDUCSOV-OAHLLOKOSA-N 293.357 4.892 30 10 CJEE CCCCCCC[C@H](CO)c1cccc(Cl)c1 118857711 NLQBHWLSUUCDJK-CQSZACIVSA-N 254.801 4.776 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](CC)OCC 122226010 ZWESQRLBYYILMW-CVEARBPZSA-N 258.446 4.693 30 10 CJEE C#CCCC[C@@H](NCCC)c1csc2ccccc12 122808200 LVUKQMUYEZSUPX-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](OCC)C(C)C 122872344 LORSIQJISKJXPX-CVEARBPZSA-N 258.446 4.549 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c(F)cc1F 126264831 CGURIGINVATZKQ-HNNXBMFYSA-N 256.336 4.667 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1Cc2ccccc2O1 126431686 SWMILRYHQCFSFS-IEBWSBKVSA-N 289.463 4.719 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cc(F)ccc1F 127751960 QLBLHKQHTUPVCD-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H](C)OC 129154659 MBLFANNLJFNUBZ-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Cl)c(Br)c1 132027376 AOMSDWCEPKNNJL-SECBINFHSA-N 288.616 4.869 30 10 CJEE CSc1cccc(Nc2ccc(C)cc2C)c1C#N 136611216 QWSKNDSYDGRJFL-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CCCCCCCC[C@H](N)CCOc1cccc(C)c1 140289623 HSCBLXDGUSBCSL-KRWDZBQOSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCCCCn1cc([C@@H](O)CC)nn1 162982325 XKNVIUSPLMFTRG-KRWDZBQOSA-N 295.471 4.642 30 10 CJEE C#Cc1cccc(N[C@@H]2CC[C@@H](C)c3ccccc32)c1 163658627 LCRPZZFKYXRHDN-AUUYWEPGSA-N 261.368 4.718 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(Br)c1 164510899 AYKXKILBWPGNMC-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccccc2)s1 166122174 SIBZFZUNBDXDMO-ZDUSSCGKSA-N 270.401 4.722 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2nc(C)ccc2c1 168495097 BKWFTEYUXCPKNM-GOSISDBHSA-N 271.404 4.937 30 10 CJEE CCN(C1CCCC1)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 226921713 TWWVZAXEVBMGPC-NUJGCVRESA-N 290.495 4.996 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 227368925 DASGBFIDKONAER-BFHYXJOUSA-N 252.398 4.506 30 10 CJEE N#Cc1cc(F)cc(Sc2ccccc2Cl)c1 227637562 OQPQZTRODOHFCY-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CCCCCCCCCCCCNCCC[C@@H](C)O 227715582 IEHQGLBYCORYPG-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CC(C)CCCCCCNc1nc(Cl)c(C#N)s1 232543011 IEPBAQRELIOGCX-UHFFFAOYSA-N 285.844 4.687 30 10 CJEE CCCCCCCC[C@@H]1NCCC[C@H]1C(F)(F)F 232940791 RCXGAQYLJZDWAN-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE CCCCCCC[C@H](C)NC1CCC(SC)CC1 232945217 DYYJBDPQAISZDT-FHERZECASA-N 271.514 4.999 30 10 CJEE CC[C@@](C#N)(CCCSc1ccc(C(C)C)cc1)NC 233983210 IOJZLYSTCFDYNQ-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE C=CCCCCCOc1ccc(OC)cc1Br 234864322 ROIMSAMPXFZLFF-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE Cc1ccc(Oc2c(C)cc(Cl)cc2C)c(C#N)c1 235879391 YXLVEJYXXUQQMX-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C[C@H]2CC[C@H]1C2 250829626 PWQLDPNKHGJFLW-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE C[C@H](C#N)[C@@H]1CCCC[C@H]1c1ccc(Br)cc1 251016533 BAHXXGNZCKDCPE-UGFHNGPFSA-N 292.220 4.883 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252436067 MYLBCGMEOFXIQL-MWDXBVQZSA-N 278.484 4.851 30 10 CJEE Clc1ccc(N=Cc2ccc(Cl)s2)cc1 254846922 RDDYBZOGUVGRSG-UHFFFAOYSA-N 256.157 4.806 30 10 CJEE Cc1cccc(OC(C)C)c1C1(C#N)CCCCC1 260903385 XAKCLIRUGMMOOX-UHFFFAOYSA-N 257.377 4.508 30 10 CJEE CC(C)c1ccc([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 306675423 SMDVGLDQWSPZGW-JKSUJKDBSA-N 286.224 4.760 30 10 CJEE Cc1cc(NCC(C)(C)CCC#N)c(Cl)cc1F 310780269 XIBUMGUTGJQOBC-UHFFFAOYSA-N 268.763 4.529 30 10 CJEE CO[C@H]1CCCC[C@H]1C1(C#N)CCC(C(C)C)CC1 312074113 PFXGWDFUKWYYLC-GMRIPVOYSA-N 263.425 4.548 30 10 CJEE Cc1cc(OCc2ccccc2Cl)c(C)c(C)c1C#N 312445767 NRUZEOHXJXBRHJ-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(n1)CCCC2 313012666 CDMCTUGJQDGYCK-GOSISDBHSA-N 275.436 4.744 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC[C@@H]2C)cc1Br 314525179 GVARNEUIEJVPIP-SWLSCSKDSA-N 292.220 4.630 30 10 CJEE O=CC1(C[C@@H]2CCCC(F)(F)C2)CCCCCC1 316468616 QLOCCHOSKRJIGP-ZDUSSCGKSA-N 258.352 4.742 30 10 CJEE C=CCCC[C@]1(CNCCC)CCC[C@@H](CC)C1 317796678 GGQGTDHMILOPDA-SJORKVTESA-N 251.458 4.929 30 10 CJEE CC(C)CC[C@@](O)(C1CC1)C1(C#N)CCCCCCC1 380216396 IQMWASLTQMHACP-GOSISDBHSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccc(Cl)cc2[N+](=O)[O-])C1 383812421 PYJONPJUWOUGNT-IAQYHMDHSA-N 292.766 4.610 30 10 CJEE CC(C)(C)OCC1(C#N)CCC(C(C)(C)C)CC1 385510981 NAIWFAYTAXSFAD-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE C#Cc1cccc(NCc2ccc(OCCC(C)C)cc2)c1 386931334 NLSZVQLPCYUYTJ-UHFFFAOYSA-N 293.410 4.705 30 10 CJEE C=CC[C@@H](CNCCC)Cc1csc2ccccc12 387014013 RDBCJCAGRDBHPY-CQSZACIVSA-N 273.445 4.636 30 10 CJEE 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CC(C)C1CCC(Nc2ccc(Cl)cc2C#N)CC1 695705482 SLSVRVZQNOCVNB-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CC(C)(C)C)NC 695960326 UUGSWRHMTPDBHD-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2Cl)CC1 697856342 UHYNLOWQIPIYET-CJNGLKHVSA-N 290.838 4.612 30 10 CJEE CCCCCCCCCCCC[C@H](O)CC[C@@H](C)N 702617036 OJOPLFMPANGNGI-SJORKVTESA-N 271.489 4.786 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 709121430 DBBBGYSQSMAGKH-ZYHUDNBSSA-N 298.213 4.852 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H](C)c2ccccn2)C1 710262849 IURUEWJBCJHYMK-INMHGKMJSA-N 256.393 4.685 30 10 CJEE CCSc1cccc(N[C@@H](C)CC2CCC2)c1C#N 710314095 BSBBCFSQFBIXSD-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2c(s1)CCCCC2 710640003 WWJXWNRKGBZFIG-CYBMUJFWSA-N 283.868 4.810 30 10 CJEE C=C(Cl)C[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 710655095 WLVFEZGZEDZJTQ-LLVKDONJSA-N 298.135 4.762 30 10 CJEE CCCCCCCCCCC(=O)[C@@]12CCC[C@H]1NCC2 711328276 DJZPMUQEBPHZKF-SJLPKXTDSA-N 279.468 4.619 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XKDPCBPCRYIPOO-ULQDDVLXSA-N 296.524 4.608 30 10 CJEE CCCCCCCCCCNC(=O)c1cccc(C)c1 3155869 KHDYZFWOHDOGNR-UHFFFAOYSA-N 275.436 4.866 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCc2cccc(C#N)c2)c1 20362760 JNBZPGZOYRRCNZ-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 37936039 KZTJFDFBWOVPSG-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE CC(C)C(=O)c1ccc(SCc2ccccc2C#N)cc1 58016405 QZGFXTDYMNTBDS-UHFFFAOYSA-N 295.407 4.689 30 10 CJEE Cc1ccc(OCCCSCc2ccc(C#N)cc2)cc1 58239785 CWKFOUOPCPOCGT-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCCCNc1ccc(N(C)C)cc1C 59422859 JHNIWJBQSNVTLU-UHFFFAOYSA-N 262.441 4.833 30 10 CJEE CCCCCCCCNc1ccc(F)cc1[N+](=O)[O-] 59427131 URMPFQNECYRJFO-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE CC(=O)c1cccc(/N=C/c2c(C)cc(C)cc2C)c1 59514150 FSWKDOWDCJWVRG-YBFXNURJSA-N 265.356 4.565 30 10 CJEE CC[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 61891876 LZFLFBPLCUFBCT-ONERCXAPSA-N 297.229 4.726 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)[C@@H](CC#N)c1ccccc1 62014231 GLFKEDRRYYLJBP-KSSFIOAISA-N 298.817 4.988 30 10 CJEE N#Cc1cc(N[C@@H]2CCC[C@@H](C3CC3)C2)ccc1Cl 81631891 LCFQVWZHEKVPJX-TZMCWYRMSA-N 274.795 4.592 30 10 CJEE C[C@@H]1C[C@H](OCCCC(C)(C)C#N)CC(C)(C)C1 87608976 YKOAYHBTYSQYOR-KGLIPLIRSA-N 251.414 4.548 30 10 CJEE SC[C@H](COCc1ccccc1Cl)c1ccccc1 94583588 LEMNFCUFEYMDAH-HNNXBMFYSA-N 292.831 4.570 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2cc(C)ccc2C)c(F)c1 103031055 FTLFDAGJCOMCJD-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCCCC[C@H](O)Cc1cccs1 103930839 DCCMJWNHPIGJAB-AWEZNQCLSA-N 254.439 4.792 30 10 CJEE O=C(/C=C\Nc1cc(Cl)cc(Cl)c1)c1ccccc1 104276324 ZPJKPZZNTLKKLM-SREVYHEPSA-N 292.165 4.802 30 10 CJEE C#CC[C@@H](C)c1cc(Cl)cc(C(C)C)c1OC 107631506 ZRWIQBVRZHXYOA-LLVKDONJSA-N 250.769 4.599 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H]1CCCC[C@@H]1C 110023117 BSHQVJGSUGQDMD-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCc1ccc(Oc2cc(C)ccc2C#N)cc1 110263061 IJZJIBBNHNHJLW-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE Cc1ccc(CNc2ccc(C(C)(C)C#N)cc2)cc1F 110975192 SIBFZVHVMVRJRE-UHFFFAOYSA-N 282.362 4.547 30 10 CJEE CCCCCCC[C@H](O)Cc1c(F)cccc1Cl 111817680 GMNBOQFQMZSVLO-LBPRGKRZSA-N 272.791 4.743 30 10 CJEE CCCCCCCO[C@@H]1CCCC(C)(C)[C@H]1NCCC 122990994 FHWJCVXZCWMHNN-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOc1c(N)cccc1F 124123431 VKLBDLTUZJNXTD-UHFFFAOYSA-N 253.361 4.537 30 10 CJEE CCCCCCCCNc1cc(OC)ccc1F 125290281 RHBUAGFGQHJDIY-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CCCCCCCCCCNCc1nccn1C(F)F 129338477 SAMTXVJAZMANNM-UHFFFAOYSA-N 287.398 4.509 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CC[C@@H](N)C1 133508761 LZNLNDLSKDQYNA-IAGOWNOFSA-N 269.473 4.540 30 10 CJEE CCCCCCC[C@@H](N)[C@@H]1CSc2ccccc21 139611728 HGDDYTHGZOCULQ-HUUCEWRRSA-N 263.450 4.564 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1cccc(C(F)(F)F)c1 158921851 CLNMVRZENMPBGA-INIZCTEOSA-N 299.380 4.828 30 10 CJEE CCCCCC[C@@H](C)NCc1ccc(C#N)cc1Cl 162656345 BSOFWOVQRKMZEY-CYBMUJFWSA-N 278.827 4.660 30 10 CJEE CCCCCCCCCC(=O)CC[C@@H]1CCCO1 164696658 DWQZGOYEYQKLAT-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccc(F)cc2)s1 166122635 RBBVBGPZJZGWIR-ZDUSSCGKSA-N 288.391 4.861 30 10 CJEE CCCCCCCCN(C)C[C@H]1Cc2ccccc21 197972436 CFSPUFYXARZXQK-QGZVFWFLSA-N 259.437 4.619 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 212284876 GIQSKTZRGIEJFJ-GVDBMIGSSA-N 265.485 4.887 30 10 CJEE CN(CC1CCCCC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 217941077 SPYDNMPITATKCH-KURKYZTESA-N 290.495 4.853 30 10 CJEE Cc1cccc(F)c1Nc1ccc(C(F)(F)F)c(C#N)c1 225036741 NVIMREPTHMQAOV-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C#CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 227536008 GKWCQFTXRVOGJM-ULQDDVLXSA-N 277.496 4.867 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 228817770 BYRKGGUCVUYNFV-QWRGUYRKSA-N 272.219 4.999 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 229378186 FZYUYNBJXKEKGF-WCIQWLHISA-N 283.459 4.687 30 10 CJEE CCCCCCC[C@H](C)Nc1c(C#N)cccc1OC 231101109 SBAJBYFJFVWKGD-AWEZNQCLSA-N 274.408 4.728 30 10 CJEE CCCCCCCCCCNC1=N[C@H]2CCC[C@H]2CS1 231342903 FMNRTYNKCIHBIJ-HOTGVXAUSA-N 296.524 4.988 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@H]1CNCCC 232949807 MTUJIBYRTXSPPE-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H](C)CC(C)C 232962246 JDIHZQNXVUSLDG-ROUUACIJSA-N 284.532 4.821 30 10 CJEE C=CCCCCCC(=O)c1cc(Cl)ccc1C 235801078 ZQQJALXMKHNGCD-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE C=CCN(CC(=C)CCCCCC)C(=O)OC(C)(C)C 238194778 BDQDVFPWSVENJQ-UHFFFAOYSA-N 281.440 4.936 30 10 CJEE CCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 249898139 VKMBENXEPOBBBO-RRFJBIMHSA-N 251.414 4.548 30 10 CJEE CC(C)(C)c1nc2c(C3(C#N)CCC3)cccc2s1 260570104 ODNBWGTVBPZYEP-UHFFFAOYSA-N 270.401 4.539 30 10 CJEE CC(C)Sc1ccc([C@@H](C)C#N)cc1Br 260863757 KDYBZMKUOVCURV-VIFPVBQESA-N 284.222 4.577 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H](C)CCC 300517624 IOLPSXRTNCJARY-SJORKVTESA-N 270.505 4.575 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1CCC(F)(F)C1 302389582 PHCAQIJMHMEYDI-UONOGXRCSA-N 259.384 4.536 30 10 CJEE N#Cc1cc(CSc2cc(Cl)cc(Cl)c2)ccn1 305344537 WEVAMKBCEKODBD-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1ccc[nH]1 310924423 KJCFYXNOFURSJL-OAHLLOKOSA-N 250.430 4.935 30 10 CJEE Cc1cc(F)c(F)cc1Oc1cc(Cl)ccc1C#N 311380194 MOGVBFXBOXNYNS-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CC1(C)CCC(CNc2cc(Cl)ccc2C#N)CC1 311543352 HJHODYXGRWWNFM-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)CC#CC(C)(C)C 312211129 ALBQAKKTPBVYEV-JQHSSLGASA-N 272.432 4.617 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2 312252785 WTWZWRWVKIFWMI-FJIDUMEYSA-N 275.480 4.621 30 10 CJEE CCCCCCCOc1cc(C)c(C(F)(F)F)cc1N 312453114 DIKWTYRMADCTCP-UHFFFAOYSA-N 289.341 4.945 30 10 CJEE C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)c2ccccc21 313609496 COINFFORWVZOHM-BDJLRTHQSA-N 282.774 4.872 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(OC)ns1 319844223 UMJKFKOQVTYWSH-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](C)CC1 382751205 GNOSIGGLUNKOQD-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cc(F)ccc1Cl 395632277 DEZBXFKUXDTBCC-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C=CCCC[C@@H](C)NC1CC(c2ccc(Cl)cc2)C1 398174263 MDZXBKZYXWWXNK-BZOOQXSSSA-N 277.839 4.920 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@H](NC)CO[C@H]1C 405879611 KOTOYDBPWHEXQJ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N/c1ccccc1 585666877 UNELJYXELGIDJV-XDLCVMBESA-N 292.426 4.690 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCC[C@H](OC)C1 686350433 CBEIZXHSVMCZPE-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@@H](C)O[C@@H]1C 686463818 ZNTUPMPBRRLQFH-KZNAEPCWSA-N 283.500 4.919 30 10 CJEE C#CCCCCC[C@]1(CNCCC)CCCC[C@H]1C 686696251 YGONUBCJGQGFAU-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE CCCCCCCOc1ccc2c(c1)[C@H](NCC)CC2 690802711 WNFZMRVEERRPRM-GOSISDBHSA-N 275.436 4.633 30 10 CJEE C=CCC1(NC[C@@H]2CCCc3ccccc32)CCCC1 690803395 FKKBSDIDWBZJQD-KRWDZBQOSA-N 269.432 4.585 30 10 CJEE C=CCC1(Nc2cccc(SC)c2C#N)CCCC1 690814405 HRUAYDMYAXFTLV-UHFFFAOYSA-N 272.417 4.581 30 10 CJEE CCc1ccc(Nc2cccc(C#N)c2)cc1Cl 691231004 YFTNUCSJJUSJLZ-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(C)cc(C)cc1C 692213154 FMQTWKAARBAJPR-HKUYNNGSSA-N 271.448 4.836 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCC23CCCCC3)CC1 694394236 GSLGATPJYHDLMW-VJFUWPCTSA-N 275.436 4.572 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1c(Cl)cccc1Cl 695861946 CGGUJGWGOAFIQO-SECBINFHSA-N 271.191 4.734 30 10 CJEE CN(C[C@H](CS)C(C)(C)C)[C@@H]1CCCC(C)(C)CC1 697827738 JGIUPOUZTFBAKH-HUUCEWRRSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCNCC1C[C@H]2C[C@@H]2C1 697872158 GCLYQUYOVFIZBW-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](C)C(C)(C)C 698454238 XBZWVLGVBRQPPD-MELADBBJSA-N 296.455 4.596 30 10 CJEE CCCCCCCCCC[C@]1(CNCCOC)C[C@@H]1C 703379140 YCGQPSOIMRBOBA-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CCCC[C@@H]1CC 704006563 UVNDDINWZAOPAR-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC1(N)C[C@@H]2CC[C@H](C1)S2 704934977 IHHQIZWWXRGETR-XYPWUTKMSA-N 269.498 4.883 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@]1(C#N)CCCc2ccccc21 704988484 WDTBHCRWNMCEKV-UWWQBHOKSA-N 253.389 4.611 30 10 CJEE C[C@@H]1C[C@H](/N=C2/N[C@@H](C(C)(C)C)CCS2)CC(C)(C)C1 708275104 CIURDQAHYXBMIC-HZSPNIEDSA-N 296.524 4.698 30 10 CJEE CCc1ccc(Nc2ccc(C#N)cc2C)cc1Cl 709153416 UJGFYFDJVCIUKA-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cscc1Cl 711527987 DUOCBYHBXHUGOW-CYBMUJFWSA-N 257.830 4.799 30 10 CJEE CCCCCCCCCC[C@H](O)c1nccn1C1CC1 711823834 YHWDITSKZLNDLT-INIZCTEOSA-N 278.440 4.782 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 715009351 IZNWWKKCNWLNCD-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(F)ccc1Cl 715767490 DJZDZJNXQJANOL-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716637416 LYCRMAGLARKNAK-WOYTXXSLSA-N 251.458 4.617 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@@]1(C#N)CCCC[C@@H]1C 720414108 HFUWJTWWMBRXAZ-JQHSSLGASA-N 277.452 4.818 30 10 CJEE C=CCN(c1cc(Cl)ccc1CNC(C)(C)C)C(C)C 723180953 WHJQDKREQQGHCZ-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE C=C1CCC(CN[C@H](CC)c2ccc(C)cc2)CC1 724443482 RVMMYALQMSUFMV-GOSISDBHSA-N 257.421 4.782 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCCC[C@H]2C)C1 821942647 NYXDKCRHDWXRPT-DUQPFJRNSA-N 276.468 4.605 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc2ccccc2o1 821996171 FQQVEIIFYSHJPB-YOEHRIQHSA-N 269.388 4.657 30 10 CJEE C=CCOc1ccc(OC(=O)CCCCCCC)cc1 1126533206 LWNKBTAAUKVHOZ-UHFFFAOYSA-N 276.376 4.517 30 10 CJEE C=C(CC)CNC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1129841252 BOZVAPJBKLCANL-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CC[C@@H]1N(CCC2(C#N)CCCCC2)CCCC1(C)C 1193919994 ITHVCJUYWJZFNV-KRWDZBQOSA-N 288.479 4.917 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2C)C1 1202018394 MWAHVEPESMYDSR-XJKSGUPXSA-N 297.364 4.848 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc(C2CC2)c1 1202797504 KUVCAXDIOFLKRU-NRFANRHFSA-N 291.438 4.841 30 10 CJEE C=CC(C)(C)CCNC/C=C/c1c(C)cc(C)cc1C 1203235591 SAMJHITVRUNRQY-CMDGGOBGSA-N 271.448 4.817 30 10 CJEE C=CC[C@@H](C(=O)O[C@@H](C)c1ccccc1)c1ccccc1 1274954690 LGJKTLKRKSSUJO-MAUKXSAKSA-N 280.367 4.651 30 10 CJEE C#CCC1(NC(=O)[C@H](CC)CCCCCC)CCCCC1 1289217765 KAWSECVKHBGNIL-QGZVFWFLSA-N 291.479 4.825 30 10 CJEE C#CCCCCCCN(c1ccc(C)cc1)C1CCC1 1308074918 VJBKDKRAAZPYFT-UHFFFAOYSA-N 269.432 4.938 30 10 CJEE C=CCN(C(=O)/C=C(/CC)c1ccc(C)cc1)C(C)(C)C 1437775528 GMQRBWVACZZWJB-PEZBUJJGSA-N 285.431 4.602 30 10 CJEE C=C(C)CCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1439686629 SZEMUKGECLIDLS-MSOLQXFVSA-N 285.431 4.575 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2cc3cc(C)ccc3s2)C1 1452993918 KJTLKDZPDOZGNJ-AWEZNQCLSA-N 299.439 4.638 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1[nH]c2ccc(C)cc2c1C 1455475175 ACQVMUNAGFMYOI-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](C)CCCc1ccccc1 1458278938 ZTYXSDAOCJGPNI-SJORKVTESA-N 287.447 4.506 30 10 CJEE C=CCCCCCCNc1cc(Br)cc(C)n1 1458362589 JOMSCWXNRXVHAC-UHFFFAOYSA-N 297.240 4.701 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCC(C)(C)C[C@@H]2C)c1 1461269401 QKJKABIPFPBJNW-YJBOKZPZSA-N 287.447 4.556 30 10 CJEE C=CCCCN(CC)C(=O)Nc1c(C)cc(Cl)cc1C 1476361780 ZYDWDHRMISSDRZ-UHFFFAOYSA-N 294.826 4.777 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4.553 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC2(F)F)CCCC(F)(F)C1 2065224283 CANSYJUKGGLPTR-WDEREUQCSA-N 263.278 4.531 30 10 CJEE O=C(C1=CCCCCC1)c1scc2c1CCCC2 2066990266 RVHXDOYZNGPQSY-UHFFFAOYSA-N 260.402 4.700 30 10 CJEE N#Cc1ccc(Cl)cc1NCCc1ccsc1Cl 2074835616 SZPYDLYCCYNTCW-UHFFFAOYSA-N 297.210 4.581 30 10 CJEE CCCCCCCCCCN1CCCC[C@H](F)C1 2075039433 CGKJCJHDHPABTC-INIZCTEOSA-N 257.437 4.951 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CC1(F)F)NC 2075468665 BCPONDSHBJBLEM-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@@H](O)c1c(C)cccc1F 2076038313 BDEJWOMLQBWBFZ-OAHLLOKOSA-N 252.373 4.918 30 10 CJEE C#CC[C@H](C)C[C@@](C)(CCCC)CNC(C)(C)C 2076090309 BETLEZPAXGQGOA-DOTOQJQBSA-N 251.458 4.621 30 10 CJEE CC(C)(C)[C@H](CS)COC[C@@H]1CC12CCCCC2 2077605636 MLASTNWAHBOFLJ-KBPBESRZSA-N 270.482 4.566 30 10 CJEE CCCCCC#CCC(=O)c1cscc1C(F)F 2083495072 ZHKLWXMVWWRDQI-UHFFFAOYSA-N 270.344 4.842 30 10 CJEE C=CCCCCCCCCN1CC[C@H]1C(F)(F)F 2086235346 AQVKPEPWDGBNOB-ZDUSSCGKSA-N 263.347 4.540 30 10 CJEE 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CCN[C@H](CC#CC1CCCCC1)C1(CC)CCC1 2101240736 OTQLFIPUKYVSEZ-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=C[C@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C1CC1 2101999563 IWSKFCRNUMUNEC-DYVFJYSZSA-N 257.421 4.599 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2102130658 ZPZPQBLQLUOWRA-RRFJBIMHSA-N 273.411 4.618 30 10 CJEE C[C@H]1C[C@](C#N)(CCC=Cc2ccccc2)CCS1 2103472752 AHGIPEDEHWPQKR-RDJZCZTQSA-N 271.429 4.905 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ncoc1CC 2104130349 RXDQXAISQDZVET-CQSZACIVSA-N 266.429 4.638 30 10 CJEE C=CCC[C@H](Cc1ccccc1CCC)NCCC 2105126024 OPRNWKATOMSHQA-GOSISDBHSA-N 259.437 4.516 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1CC12CCC(F)(F)CC2 2107081627 PUAASWJRJOVRAZ-CHWSQXEVSA-N 291.813 4.713 30 10 CJEE CCCCCCCCCC(=O)c1nsc(C(C)C)n1 2107191564 HPKOKOTYJRRVQZ-UHFFFAOYSA-N 282.453 4.985 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CC(C)(C)CO1 2109981708 YPRHSOUUJXXYFV-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE CC(C)(C)C#CC[C@@]1(N)CCCCC12CCCCC2 2110035309 NJVXEJSTYJQRJE-SFHVURJKSA-N 261.453 4.648 30 10 CJEE C=CC1(C[C@H](NCC)[C@H](CC)CC(F)(F)F)CCC1 2111707171 CATMZNRHZDUQFV-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C=CC1(C[C@H](CSc2ccccc2)NCC)CCC1 2111722148 WYIAODQGLGIJRU-OAHLLOKOSA-N 275.461 4.503 30 10 CJEE CN(CCCCCC#N)C1CCC2(CCCC2)CC1 2114954559 TUGQUOCOAPGMFA-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](O)C(CCC)CCC 2115647555 LPXWVNADGBITCN-SJORKVTESA-N 271.489 4.642 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC[C@H](C)CO2)CC1 2116388931 QQJBSQZZWLHBBR-SOEBMCCKSA-N 263.425 4.548 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(C2CCC2)cc1 2116659181 XBFHPAXFSPSYLB-KSSFIOAISA-N 257.421 4.817 30 10 CJEE N#C[C@@]1(CC2CC(C(F)(F)F)C2)CCCCC12CC2 2116988700 BYNXZJHOMXDLAZ-YIZWMMSDSA-N 271.326 4.829 30 10 CJEE CC1(C)CCC[C@](C#N)(C(F)(F)[C@H](F)C(F)(F)F)C1 2118553965 BAFQTMAARIDQRT-WPRPVWTQSA-N 287.247 4.632 30 10 CJEE CCCCCCC[C@H](O)c1c(F)ccc2c1CCC2 2121585517 YFKAGBRJPQLVMM-INIZCTEOSA-N 264.384 4.708 30 10 CJEE C=CCCCC[C@@H](CCc1ccc(C)cc1)NCC 2123079298 CBKXMKNVDNHPOW-SFHVURJKSA-N 259.437 4.652 30 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C#Cc1ccc2c(ccn2[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 2277803215 GBCPYGGWOYQHEP-GRDNDAEWSA-N 251.373 4.620 30 10 CJEE CCCCCCCCCCC[C@@H](O)CC[C@@H]1CCO1 2278559800 GZGXIQPQEFXIOD-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)c1sccc1CC 2282914793 JZVGBRGDSVLYPY-JKSUJKDBSA-N 297.508 4.812 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1c(C)sc(C)c1C 2283723932 YRKJPNNFDSMKGV-IAGOWNOFSA-N 297.508 4.785 30 10 CJEE C=C([C@@H](NCC)c1c(C)cc(OC)cc1C)C(C)(C)C 2286486357 WADULFDETNMNRT-QGZVFWFLSA-N 275.436 4.565 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](N)[C@@H]1CC 2288896343 UANNERSWGHKIKF-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CC(C)(C)c1cc(Oc2ccc(C#N)cc2Cl)ccn1 2289239435 YQBCSXGGBKTEAA-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1c(C)cccc1C 2289699821 GDZFBLWATLBSRF-SFHVURJKSA-N 269.432 4.538 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1CCC[C@H](C)C1 2289869813 UCBXQYIPTSZPNU-YTQUADARSA-N 275.480 4.765 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCC[C@H](C)CC1 2291673700 YSPJDMDYMIADDM-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCC(=O)O)c1cccs1 2291806833 IDZMAZFJAILDPN-AWEZNQCLSA-N 296.432 4.807 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCCN)c1cccs1 2292778441 GAMZZWPPACPQJZ-KRWDZBQOSA-N 295.492 4.855 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(OCCCN)C1CCCCC1 2293132475 JVRUQLNDZXPUSX-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)OCCN 2293164278 CPXLQVQBNNUNSF-XWTMOSNGSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1C[C@@H]1CC)OCCN 2293548847 NDNGBBLJXHRQGO-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@](C)(OCCCN)c1ccsc1 2293598767 GCPHTSBPQPUHGJ-KRWDZBQOSA-N 295.492 4.855 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCCC(C)(C)CC1 2293881862 NEYPJEQJAPUVNQ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](C=C1CCCCC1)OCCCN 2293921211 IZAQAWXTWDMRBC-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=CCCCCCC[C@@](C)(CC1CCC1)OCCCN 2294002285 AUHPFFYJTRYJLQ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@@]12CCOC2 2295592846 WDDPUBLCDGRONO-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 2295688977 LKAILJUVUGXEDR-ADHGMGHFSA-N 283.500 4.917 30 10 CJEE COc1ccc(C(=O)C=Cc2cccs2)c2ccccc12 2295968020 UNNFAGJUKOVILH-UHFFFAOYSA-N 294.375 4.806 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1ccc(Cl)c(Cl)c1C 2301269062 SSDZZHJPRXODEN-LKFCYVNXSA-N 272.219 4.904 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(F)cc(Cl)c1 2304118620 BNDIYRNKJAGEAT-ZIAGYGMSSA-N 256.748 4.505 30 10 CJEE C=CC[C@H](C)[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2307639214 WNOPUPAIAKMBCQ-LKFCYVNXSA-N 272.219 4.688 30 10 CJEE C#CC[C@H](C)C[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2316941951 DTSXFNAWMRYROU-IINYFYTJSA-N 284.230 4.612 30 10 CJEE C=C(C)C[C@@H](CC[C@@H]1CCCC1(F)F)NCCC 2319286065 FYWLGEPCPOBAPI-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=C(C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2319290063 BDHOZCMNDADMHG-CYBMUJFWSA-N 286.246 4.789 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1cscc1F 2321095320 HWFOGIGISMTISM-CABCVRRESA-N 269.429 4.920 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1c(Cl)cccc1Cl 2321227076 BBROMCDTEBPYAG-HUUCEWRRSA-N 287.230 4.889 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)cc1CC 2321234461 SNJHAKBMYZGVRV-CVEARBPZSA-N 266.812 4.928 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2329632351 MMXWQBWCMMTIET-ZOBORPQBSA-N 277.374 4.545 30 10 CJEE N#C[C@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CC2 2330443737 ZFSNCBYAGMDYEE-SFDCQRBFSA-N 265.347 4.532 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2333326874 FEFPNULJTVPAET-LXTVHRRPSA-N 271.395 4.522 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H](N)C(C)(C)CCC1(C)C 2335098629 MCQGTXOWRRJTRR-GJZGRUSLSA-N 281.509 4.783 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1CNCC(C)C 2335238493 NLTBJQIYQNQICG-CYBMUJFWSA-N 281.440 4.628 30 10 CJEE C=CCC(CC=C)Sc1ncc(CN[C@@H](C)CC)s1 2335241900 MTMPEKQVMLORSB-LBPRGKRZSA-N 296.505 4.644 30 10 CJEE C=C([C@H](NCC)c1c(F)ccc(C)c1Cl)C(F)(F)F 2335579604 AXNVFQODIAKQKZ-LBPRGKRZSA-N 295.707 4.557 30 10 CJEE C=CCC[C@H](C)[C@@](C)(CCCC(C)C)OCCCN 2337643997 SVLCYZVJDNXMEU-DLBZAZTESA-N 269.473 4.539 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1c(C)oc2ccccc12 2338666462 MMINFOBJQILNEN-QGZVFWFLSA-N 255.361 4.509 30 10 CJEE C=CCC(CC=C)[C@H](CC12CCC(CC1)C2)NCC 2338730409 QGBHFXWOVAXCOO-NXYGQSRBSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1sc(C)nc1C 2338737964 IQPJBVNJDFMQPT-OAHLLOKOSA-N 278.465 4.569 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@]1(C)CC=C(C)CC1 2338740911 JSJKLLQDHVWCQF-ROUUACIJSA-N 261.453 4.869 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1c(F)ccc(Cl)c1F 2338743189 CMCDLXHJFRAMJK-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE COc1c(Cl)cc(C[C@@]2(C#N)CCC[C@H]2C)cc1Cl 2339971464 PRRUGUNGJNGZMF-MEBBXXQBSA-N 298.213 4.874 30 10 CJEE CCc1cscc1N=C1N[C@]2(CCCC2(C)C)CS1 2341920580 VIAJTHJUVXXASV-OAHLLOKOSA-N 294.489 4.583 30 10 CJEE C=CC(C)(C)NC[C@@H](c1ccccc1)C1CCCC1 2342482816 OULVLWJDMHPYJA-KRWDZBQOSA-N 257.421 4.515 30 10 CJEE CC1=C(C)C[C@H](COc2cccc(Cl)c2C#N)CC1 2343304796 KVNVABVGDYTFOS-CYBMUJFWSA-N 275.779 4.727 30 10 CJEE C=CCCC[C@@](N)(CC)c1ccc(C(F)(F)F)cc1 2343737043 PXAQRBSTDDZEET-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE SCC1(COCc2cccc(C3CCC3)c2)CCC1 2343796145 GMMCEPJVPBXPKD-UHFFFAOYSA-N 276.445 4.571 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1cccc(C(C)C)c1 2343797419 SJZWMZXVPGLQBH-GOSISDBHSA-N 259.437 4.543 30 10 CJEE C=C[C@H](C)N(C)[C@H](CC)c1ccc(C(F)(F)F)cc1 2343887502 OJNLYEGJMCFUCX-SMDDNHRTSA-N 271.326 4.663 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(F)c(F)c1 2344337861 VCKSWVYIZFNWEJ-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(C)cc1Cl)NCC 2344347093 YUKGBBVXQFEROC-INIZCTEOSA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C/C=C/c1ccccc1)NC 2344375649 NZXCNBSWADRJJP-NQNZFTEYSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC(C(F)(F)F)C1)NCCC 2344380940 ARTRIZDQUJMTQS-BLYZHGLHSA-N 277.374 4.545 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NCCC 2344385863 RXRQFLSEYGTXNJ-DFBDCSAJSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc2cccc(F)c2o1 2344461116 XSHRYQJHJMKTTF-HZPDHXFCSA-N 262.324 4.598 30 10 CJEE Cc1ccccc1SC1(C#N)CC2(CC(C)(C)C2)C1 2344989761 DCKBLAQRBIXPEL-UHFFFAOYSA-N 271.429 4.950 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCCCC12CC2 2352098775 LPENSSWIAPKILN-GOEBONIOSA-N 283.525 4.623 30 10 CJEE C[C@@H](C1CCCCC1)N(C)C[C@@](C)(CS)C(C)(C)C 2352167835 HMFNSFNIBXZUPX-YOEHRIQHSA-N 285.541 4.869 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(C)ccc1C(C)C 2352928954 ACAKSVZPWKVITA-FUHWJXTLSA-N 257.421 4.735 30 10 CJEE CCCCCCC[C@](C)(Sc1ccccc1N)C(=O)O 2353861560 HXNOLFBTYBGTGZ-INIZCTEOSA-N 295.448 4.565 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2353907357 GHPVGGBGDMXKIF-RCMKLKEOSA-N 278.436 4.510 30 10 CJEE Cc1cccc(/C=C\C(=O)/C=C\c2cccc(C)c2)c1 33575239 KLSUMXUEVAJVLW-HWAYABPNSA-N 262.352 4.599 30 10 CJEE C[C@@H](Oc1ccc(C(F)(F)F)cc1C#N)c1ccccc1 36926953 QIYAVDQIOWKMAH-LLVKDONJSA-N 291.272 4.717 30 10 CJEE CC[C@@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37155951 YHGCTOARCBVSCI-AAVRWANBSA-N 253.455 4.873 30 10 CJEE N#C[C@@H]1CCCC[C@H]1Sc1ccc(Br)cc1 37156651 POHVAFASCAKYQP-GXFFZTMASA-N 296.233 4.624 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCSc2ccccc21 50429212 JQWAIIWUDUAMBK-OAHLLOKOSA-N 280.396 4.516 30 10 CJEE N#Cc1c(/N=C/c2ccc(Cl)cc2)sc2c1CCC2 58979895 XMVFYNBHKWGXLP-GIJQJNRQSA-N 286.787 4.512 30 10 CJEE CCCCCCCCNc1ccc(N2CCCC2=O)cc1 59422983 VPPCGQGOYMAJGG-UHFFFAOYSA-N 288.435 4.586 30 10 CJEE Clc1cccc(/C=N/c2ccc(Br)cc2)c1 59513714 OWXYUULYRWQZNI-CXUHLZMHSA-N 294.579 4.853 30 10 CJEE C=CCC[C@@H](NCC)C(c1ccccc1)c1ccccc1 71276668 KMFOCCDDAMSNIG-LJQANCHMSA-N 279.427 4.763 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3cccc(F)c32)c1 71465981 XBIJARHIZCVCNS-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CCCCCCn1nc(C#N)cc1-c1ccc(CC)cc1 76843491 XIORJEHFKRPVNN-UHFFFAOYSA-N 281.403 4.564 30 10 CJEE COc1ccc(N[C@]2(C#N)CCC[C@@H](C(C)C)CC2)cc1 86949151 GGAGUKVSCORGPA-CRAIPNDOSA-N 286.419 4.606 30 10 CJEE CC(C)C1CCC(C#N)(CCOc2ccccc2)CC1 87960274 CGGCRGFAMCEFGT-UHFFFAOYSA-N 271.404 4.812 30 10 CJEE CCCC[C@@H](CC)CC1(C#N)Cc2ccccc2C1 87997793 SMRJENUEJUVDCY-OAHLLOKOSA-N 255.405 4.902 30 10 CJEE Cc1cc(C#N)c(-c2ccccc2C(F)(F)F)cc1C 90562915 MOGPAILABBJWSD-UHFFFAOYSA-N 275.273 4.861 30 10 CJEE C=C(C)[C@@H](NCCC)C1(c2ccccc2)CCCCC1 92116732 KIQBODHYIMDQJT-GOSISDBHSA-N 271.448 4.833 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](CS)C(C)(C)C 94579546 KIWYQOCBRZVJED-JSGCOSHPSA-N 299.911 4.925 30 10 CJEE CC(C)c1ccc(OCC[C@@H](C)CCS)cc1 94582581 BZMGTAXBAVSUPI-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE CCC(CC)(CS)CSc1cccc(OC)c1 94588825 AQRQPCUJYAVENB-UHFFFAOYSA-N 270.463 4.524 30 10 CJEE Fc1ccc(C/N=C\c2cc3ccccc3nc2Cl)cc1 100415070 UEDVJGAMNNKGJI-JAIQZWGSSA-N 298.748 4.646 30 10 CJEE CC(C)c1ccc(C(=O)/C=C\Nc2cccc(F)c2)cc1 103029914 JTSSREGUCWRTIY-KHPPLWFESA-N 283.346 4.758 30 10 CJEE O=C1/C(=C\c2cccc(Cl)c2)CC[C@H]1C1CCCC1 104375857 CRRLBOLHOXGXHB-DNXIFWLFSA-N 274.791 4.893 30 10 CJEE CCCCCCCN1CCNc2cc(Cl)ccc21 106595286 YSVJGBRUVFTYMR-UHFFFAOYSA-N 266.816 4.542 30 10 CJEE CCCCCCC[C@H](O)CSc1cccc(C)c1 117421570 ICPDGFPMHWLRJC-HNNXBMFYSA-N 266.450 4.809 30 10 CJEE CCCCCCCCC(=O)[C@@](C)(CC)N1CCCCC1 118162116 GTCLTMJZMMTIHY-GOSISDBHSA-N 281.484 4.961 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2cc(C#N)ccc2N)c1 124541693 LZEJSJGNOPIJRM-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(C(C)(C)C)cc1 124702157 UWYQKMVZOZNINO-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CC[C@](C)(C#N)Cc1ccc(Br)cc1Cl 126061747 FHYYDBXFYWMCEY-LBPRGKRZSA-N 286.600 4.585 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](CCC)OC 126662985 SNFZGULXJKBSQY-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1 129660687 FSHVORMCEIPYEV-AWEZNQCLSA-N 284.447 4.814 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(Cl)ccc1F 131174122 SJIXRXZYDZKPDV-OAHLLOKOSA-N 286.822 4.734 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnn(C)c1C 140285136 FHLKDETVAZWVIE-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE CC[C@](O)(c1ccccc1)C1(C#N)CCCCCCC1 156792715 HDDSFSDBCOJEGB-SFHVURJKSA-N 271.404 4.538 30 10 CJEE Cc1cc(Oc2ccc(Cl)c(Cl)c2)c(C#N)c(C)n1 157483012 SDLHZAMJURBJIL-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCCCCC(=O)c1nccn1C 165651563 DXBCGPJCGVAHEB-UHFFFAOYSA-N 264.413 4.524 30 10 CJEE N#Cc1cccc(Nc2ccnc3ccc(Cl)cc23)c1 169937692 LVDWANIDNMDDRO-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C[C@H](Nc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 218479757 QORSDEOSYJHGJT-HNNXBMFYSA-N 299.377 4.793 30 10 CJEE N#C[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C1CCCCC1 227188751 RPPBBWLECWXBRX-GBESFXJTSA-N 282.431 4.590 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)s1 227610484 SWCGIJJYCIUQQX-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H](CC)c1ccccc1 229755418 SGXROGZVOGTTPX-ROUUACIJSA-N 259.437 4.905 30 10 CJEE Cc1ccc(Cl)c(N[C@H]2CCCCC[C@H]2C#N)c1 232243885 RYWKUOPHJNQLOJ-JSGCOSHPSA-N 262.784 4.533 30 10 CJEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(C)c2)c1 232244894 DGGBAKMVQXUXOB-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1c(-c2cc(Cl)sc2Cl)sc(C#N)c1N 235765786 RDEXVFCMLDSWSY-UHFFFAOYSA-N 289.212 4.546 30 10 CJEE CCCCCCCN1C[C@@H](C2CCCCC2)NCC[C@H]1C 250803062 DMQPURRUAVSBAI-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE C[Si](C)(C)C#CC=Nc1ccc(Cl)cc1Cl 252602465 FITYJFGNPKZBTC-UHFFFAOYSA-N 270.235 4.577 30 10 CJEE C#CCCC[C@H](NCC)[C@H](c1ccccc1)[C@H](C)CC 253044760 OJQZFEHQEKYWIW-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE C=CCCCCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 300258588 XQJARFVQDSRINK-WNRNVDISSA-N 263.469 4.927 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 308150485 GVTWSRJHTRRVOF-JEBQAFNWSA-N 270.420 4.739 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(C)c(C)c1 312204803 ARWCCWUIMZACMQ-GOSISDBHSA-N 271.448 4.784 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316950749 CCDSSLLKINZGMJ-KDOFPFPSSA-N 258.405 4.532 30 10 CJEE CC(C)NC[C@@]1(CC#CC(C)(C)C)CCC[C@@H](C)C1 317408649 OMXSGDVGINFHMS-SJLPKXTDSA-N 263.469 4.621 30 10 CJEE C=C(C)CC1(CNCCC)CCC(C(C)C)CC1 318788439 PIZDFGCQDHQNFM-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCC1CCC(C(=O)[C@@H](C#N)c2cccc(Cl)c2)CC1 328312687 BPHVXDFOLCFHSL-ZUEPYMLJSA-N 289.806 4.733 30 10 CJEE CCCC1CCC(C#N)(C[C@@H](O)CC2CCCC2)CC1 379936361 AVWQMDGWBLDOPZ-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(C)c1F 380047853 PTUADLIIBMLIMX-INIZCTEOSA-N 275.411 4.614 30 10 CJEE CCCCCCC[C@]1(C#N)CCCN1C(=O)OC(C)(C)C 381034142 BXYOPGPDMHTZJL-QGZVFWFLSA-N 294.439 4.640 30 10 CJEE CCN([C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N)C(C)(C)C 382167925 USUHXEGUBDNOBY-ARFHVFGLSA-N 278.484 4.851 30 10 CJEE N#CCCCCCSCc1ccc(Cl)cc1 385276469 YOUWLKKMONJEHV-UHFFFAOYSA-N 253.798 4.657 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc2sccc2c1 386523638 FJGQFPZPYNHJHW-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@@H](C2CCCC2)CS1 395413132 IWXAMHUMUZCZRP-DZGCQCFKSA-N 282.497 4.597 30 10 CJEE Cc1cccc(SC[C@H](C#N)C2CCCCC2)c1 397312380 OMLPAVPPZCSCQW-HNNXBMFYSA-N 259.418 4.807 30 10 CJEE N#C[C@H](CSCc1ccccc1Cl)C1CCCC1 397348268 NZSJZJHRCLDKNW-CQSZACIVSA-N 279.836 4.903 30 10 CJEE C=CCCC[C@@H](C)Nc1c(Cl)cc(N)cc1Cl 398083041 SHYFBCJPABUFMF-SECBINFHSA-N 273.207 4.732 30 10 CJEE CCCCCCC[C@H](N)c1csc2c1CCCC2 399837936 DXCJRAIGICAADE-HNNXBMFYSA-N 265.466 4.987 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccns1 401141287 YFULRZQWAUWSGJ-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CC[C@H](CNc1ccc(C#N)c(Cl)c1)CC(F)(F)F 402490011 CITNOIQLKDYYCT-VIFPVBQESA-N 290.716 4.602 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 466436757 QETDTXFFYNQGJQ-YQVWRLOYSA-N 299.458 4.631 30 10 CJEE CCC(CC)OCC1(C#N)CC(C)(C)CC(C)(C)C1 688309450 UYRQMLRNHJNEFD-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1cc(C)cc(C#N)c1 691052089 DPNDEARAGGKHKB-NVXWUHKLSA-N 256.393 4.638 30 10 CJEE N#Cc1cc(NCc2cc3cscc3s2)ccc1F 693919076 OOSQXODXORROBU-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc2cscc2s1 694419656 RTJZQEABIVTQIG-LBPRGKRZSA-N 265.447 4.970 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCC12CCCCC2 694468636 KYOMPHFELFFCCM-INIZCTEOSA-N 272.367 4.531 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 695153427 NZEKLLDDTIDMKP-JTQLQIEISA-N 284.325 4.814 30 10 CJEE CCCCCCCC[C@@H](N)c1csc(COC)c1 699789056 WNBNZZJPVORSGX-OAHLLOKOSA-N 269.454 4.645 30 10 CJEE Cc1ccc(CNc2ccc3sccc3c2)cc1C#N 701827486 JGIRIKDUJNTZED-UHFFFAOYSA-N 278.380 4.694 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOC2CCC2)C1 701918508 KKWQWPDHQLSVNO-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCC[C@H]1C(C)C 704039005 SXABHUJXDMGASV-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C[C@H](N(C)CCCCC(C)(C)C#N)[C@]12CCCC[C@@H]1C2 709084455 WIFUTHPUFHPXLY-LZLYRXPVSA-N 276.468 4.607 30 10 CJEE C=C(Cl)CC1(CNC(C)C)CCC(C)(C)CC1 710621978 OJGVTKJMCGMDAN-UHFFFAOYSA-N 257.849 4.714 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716544506 HTSJKCCEMNSQFE-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE C=CCCC(C)(C)NCc1cccc2ccccc12 717910829 NTUAQXPNTKZDFX-UHFFFAOYSA-N 253.389 4.674 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)Nc1ccccc1F 720351042 RTKNXZQEKMPWLC-KRWDZBQOSA-N 274.383 4.880 30 10 CJEE C=C1CCC(C[C@H](NC)C(CCC)CCC)CC1 724617963 PTBWSJMNOYQBHO-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE CCCC1CCC2(CC1)C[C@@H]2B1OC(C)(C)C(C)(C)O1 725352857 SZVSSEYMIQRHFD-UUCFBXCCSA-N 278.245 4.829 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1cc(F)ccc1F 821225278 ANVXPGAEFJUECU-LVZFUZTISA-N 289.325 4.604 30 10 CJEE C=CCCC[C@H](c1ccccc1)c1nc([C@@H]2C[C@H]2C)no1 904822336 OCUUGPGLJWXKTE-FVQBIDKESA-N 282.387 4.681 30 10 CJEE Oc1ccc(Cl)cc1C=Nc1cccc2ccccc12 1084047262 YTZBKBGTQSXUAY-UHFFFAOYSA-N 281.742 4.949 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc2c1ccn2C(F)F 1131033854 ZXMQVXUVXWDNAX-UHFFFAOYSA-N 292.329 4.577 30 10 CJEE C=CCC1(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)CCCC1 1161685659 FAKBLSNYSBTMGQ-MRXNPFEDSA-N 289.463 4.550 30 10 CJEE C=CCN(CCCC(C)(C)C)Cc1ccc(OC)cc1 1167116048 MJCRGDGQMIJNGR-UHFFFAOYSA-N 275.436 4.510 30 10 CJEE C=CCC1(CNCc2ccc(Cl)c(OC)c2)CCCC1 1178709231 DKMXVSPMODOLEA-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C(C)c1cccc(NCc2ccc(CC)cc2)c1 1179748059 WNKGTZJGSWVQJI-UHFFFAOYSA-N 251.373 4.894 30 10 CJEE C=CCCCC[C@@H](C)NCc1ccnc(-c2ccccc2)c1 1183197389 SZSCYCMRUNLMDZ-QGZVFWFLSA-N 294.442 4.973 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2C)C1 1202018389 MWAHVEPESMYDSR-BBRMVZONSA-N 297.364 4.848 30 10 CJEE C=CCC(C)(C)CNCc1cccc(CC2CCC2)c1 1202555006 YTXRJGWZYQROJB-UHFFFAOYSA-N 271.448 4.721 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1C(C)=CCC[C@@H]1C 1204899615 RTWRRMRPWPTCPE-ICSRJNTNSA-N 283.459 4.710 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@H]1CCC[C@@H](C)C1 1307445175 VMXLYLLHBBKARE-UYAOXDASSA-N 285.475 4.934 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 1308186636 RJRSDECWAFOTSI-IPMKNSEASA-N 299.458 4.700 30 10 CJEE C#CCC1(NC[C@H]2CCCC[C@H]2CC)CCCCC1 1308950796 UFWLQAXPRZBYHD-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1oc2ccccc2c1C)C(C)C 1435135241 CTHNOMYRQZHKPP-SFHVURJKSA-N 299.414 4.911 30 10 CJEE C=CCC1(C(=O)NCCCCCCSC)CCCCC1 1458869482 PKOILKNWRUBTDQ-UHFFFAOYSA-N 297.508 4.553 30 10 CJEE C=CCCCCCN[C@H](C)c1c(F)cccc1Cl 1459836482 NUWWGBMJQRQTCP-GFCCVEGCSA-N 269.791 4.876 30 10 CJEE C=C(C)c1cccc(NC(=O)C2CC(C(C)(C)C)C2)c1 1463259406 UYLUAQUKKIMEJY-UHFFFAOYSA-N 271.404 4.731 30 10 CJEE C=C[C@H](C(=O)N[C@H]1CCCCC12CCCC2)c1ccccc1 1468529718 BUNOTGVXZNMUIZ-ROUUACIJSA-N 297.442 4.575 30 10 CJEE C=CC[C@@H]1N(CCC2=CCCCC2)CCCC1(C)C 1473431505 GJTVGYUTQDWKFP-KRWDZBQOSA-N 261.453 4.944 30 10 CJEE C=CCCCCCN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 1473507410 YPKABGWYDDQSIJ-ZHALLVOQSA-N 271.448 4.999 30 10 CJEE C=CC[C@@H]1N(CC(C(C)C)C(C)C)CCCC1(C)C 1474482266 VMMRZIUNDJSBOU-KRWDZBQOSA-N 265.485 4.981 30 10 CJEE C=CCCCC(=O)N1CCC[C@@H]1CCC1CCCCC1 1517726078 FVPSQLGASZBMJH-QGZVFWFLSA-N 277.452 4.694 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1520854102 FKYKTHVVJGTTQY-GOSISDBHSA-N 299.458 4.906 30 10 CJEE C=CCC[C@@H](C(=O)N1CCCCCCCC1)c1ccccc1 1526219379 XNYVSCQSTIEKGQ-LJQANCHMSA-N 299.458 4.919 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 1526895385 HEXIEQNJVVXBKM-AWEZNQCLSA-N 285.387 4.524 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C1CCC1)C1CCC1 1530116485 UJOIWMIUQBMVBT-UHFFFAOYSA-N 297.442 4.960 30 10 CJEE C=CCCCCCN(C)C(=O)c1coc2c(C)cccc12 1532191342 DGZRRNQJXVTNPL-UHFFFAOYSA-N 285.387 4.560 30 10 CJEE C=CCN(C(=O)c1ccc(C)c2ccccc12)C(C)(C)C 1532929269 KCMKGCCWXQDOEQ-UHFFFAOYSA-N 281.399 4.575 30 10 CJEE C=C1CCC(C(=O)OCc2csc3ccccc23)CC1 1534754610 RMETVARHEHQRIO-UHFFFAOYSA-N 286.396 4.691 30 10 CJEE C=CCC1(C(=O)N2CCCC(CC)(CC)CC2)CCCC1 1537354527 MPPLYSOJJWRBMV-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCC1(C(=O)Nc2ccc3occ(C)c3c2)CCCC1 1537757120 MDOOGIQVIKVECR-UHFFFAOYSA-N 283.371 4.816 30 10 CJEE C=CCOc1ccc(COC(=O)CCCC(C)(C)C)cc1 1538135224 ARNQGQPDPSPFKF-UHFFFAOYSA-N 290.403 4.511 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)c1ccccc1C)c1ccccc1 1538938530 MJUDISMWBSRURQ-APWZRJJASA-N 294.394 4.959 30 10 CJEE C=C(C)c1cccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 1539557646 CRGIFMPNRYZMGT-IAGOWNOFSA-N 283.415 4.875 30 10 CJEE C=CCCCN[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 1560803887 IUDFRDHMIZYWQI-QGZVFWFLSA-N 275.823 4.832 30 10 CJEE C=CC[C@H]1N(C(=O)CCCCC(C)C)CCCC1(C)C 1586320837 VTYYZBFVIJWZHS-MRXNPFEDSA-N 279.468 4.796 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 1597307883 URWVNWJAVIEQMU-DLVXIWMQSA-N 299.458 4.677 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccsc2C(F)(F)F)C1 1621026266 CDNFILNBLINWBL-JQWIXIFHSA-N 289.366 4.601 30 10 CJEE C=CCN(CCc1ccccc1)CCc1ccccc1CC 1644483049 WYGUVAPRZADRFT-UHFFFAOYSA-N 293.454 4.522 30 10 CJEE C=CCCCCN1CC[C@@](C)(CCc2ccccc2)C1 1644758927 HIINJGNZWHYBLZ-LJQANCHMSA-N 271.448 4.688 30 10 CJEE C=C(C)CCN1C[C@H](c2ccccc2)c2ccccc21 1645456972 SJEALTWLKLEMOO-GOSISDBHSA-N 263.384 4.605 30 10 CJEE C=CCCCCCN1C[C@@H](C)C[C@@H]1c1ccccc1 1645542849 DVNVFTWXIUVDRO-FUHWJXTLSA-N 257.421 4.816 30 10 CJEE C=C(C)c1cccc(NC/C=C\c2ccc(F)cc2)c1 1651651252 GHKPTFXYDXWPKX-PLNGDYQASA-N 267.347 4.984 30 10 CJEE C=CCCCCCCCCNc1ncnc2c1CCCC2 1655534720 UATVYGDOHWTOOT-UHFFFAOYSA-N 287.451 4.684 30 10 CJEE C=CCNC/C(=C/c1ccccc1)CCCCCC 1656680567 BBYFZVAWYFAEHC-OBGWFSINSA-N 257.421 4.816 30 10 CJEE C=CCC[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1 1659649316 JYVNBWLHAQMTBK-OXJNMPFZSA-N 295.426 4.729 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(CCC)c1 1662856966 GUGYTIQWHGOODX-OALUTQOASA-N 271.448 4.864 30 10 CJEE 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2352068248 KMGHLDBAWUBBOL-MRXNPFEDSA-N 285.541 4.871 30 10 CJEE CON(C[C@](C)(CS)C(C)(C)C)C1CCCCCC1 2352077040 DTCWFSNMVKDVOD-MRXNPFEDSA-N 287.513 4.555 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCCCC[C@H]1C(C)C 2352223503 RLOQITUUSROFGK-DZKIICNBSA-N 284.465 4.744 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)C[C@H]1CCOC1 2353005358 ZXGCSXYYNMMTFD-HZPDHXFCSA-N 268.441 4.759 30 10 CJEE CSc1cc(NCC2CCC(C)CC2)ccc1C#N 2353833535 FMWFNBWHMCJJJL-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE CSc1cc(Oc2cccc(C)c2F)ccc1C#N 2353835254 RQLDNYBIDAKSGX-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2357492612 XEBCWXXQDUIHCG-HCXYKTFWSA-N 269.432 4.504 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1OC[C@@H]2CCCC[C@H]12 2358463133 HPHKYXDMOOPCPY-XSLAGTTESA-N 281.484 4.660 30 10 CJEE N#Cc1ccc(NC2CCCCCCC2)cc1Cl 36964017 XSIGKPUTYDKWBZ-UHFFFAOYSA-N 262.784 4.736 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(F)c(F)c1 37156560 NLRIOHMXQSCPMS-YGRLFVJLSA-N 267.344 4.529 30 10 CJEE CC(C)[C@H](Nc1ccc(CC#N)cc1)c1cccs1 37301871 IYNHDMPFAYDUDW-INIZCTEOSA-N 270.401 4.623 30 10 CJEE Cc1cc(C)cc(/N=C/c2ccc(Br)cc2)c1 59457263 CGYHPKOOAHPWDD-LICLKQGHSA-N 288.188 4.817 30 10 CJEE N#Cc1cc(Sc2ccc(F)c(F)c2)nc2ccccc12 68796785 JITHLWBUHGPSGZ-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc2cccnc12 69502956 ZSBSHFRLMBZQHX-INIZCTEOSA-N 293.757 4.565 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(NC2CCCCCC2)CC1 86949532 CMMSIXJGDWPORH-FUHWJXTLSA-N 276.468 4.942 30 10 CJEE CCC[C@@H](CS)CSc1ccccc1Cl 87096473 YIUBIVJALNNLLM-JTQLQIEISA-N 260.855 4.778 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)c(F)c2)C1 91883724 HZYRMLXGVPZUAK-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE C[C@H]1CCC[C@]1(C#N)c1ccc(Cl)c(Cl)c1 93955805 DXIJTZBRLLMKSC-TVQRCGJNSA-N 254.160 4.575 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Sc1cccc(Br)c1 93955914 QJWRGFWGDFIENY-ZWNOBZJWSA-N 296.233 4.624 30 10 CJEE CCCCCCCCCCNc1ccc(C(=O)O)cc1 101006053 UJBFVFMQYOHXMB-UHFFFAOYSA-N 277.408 4.937 30 10 CJEE COc1ccc2ccccc2c1/C=N\CCc1ccccc1 102165911 URUFUHNRAAGMNZ-QNGOZBTKSA-N 289.378 4.510 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(OC)cc1)NCC 109728727 HCCOPJVFLKPFKS-GOSISDBHSA-N 291.479 4.966 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCC[C@@H]1C 109901104 PNMQYNXPSSSOOZ-KBPBESRZSA-N 261.434 4.955 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@@H]1CC(C)C 114058295 JFHURLZHUMHAGF-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NCC1(C)C 114059264 CQNDPHMBCHHGQA-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@@H]1CCC 114060542 OZWHAIAPDMGJLL-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1C 114062800 QVCFUIDUOZHVSE-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCc1nc2cc(F)ccc2[nH]1 115063980 BFZHEWKRRHBMJZ-UHFFFAOYSA-N 262.372 4.995 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CN)c1ccc(C(C)C)cc1 115923230 MUPQMIPTCDPCEF-RTBURBONSA-N 291.479 4.574 30 10 CJEE CCCCCCCCCCCc1nnc(CNCC)s1 116083604 IHOHDHCGHJIQGM-UHFFFAOYSA-N 297.512 4.721 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](CCC)OC 122563588 AJYUKKXBVMYCDH-CVEARBPZSA-N 258.446 4.693 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(C)cc(C)c1 131341617 GSCOTTBEHZHUPA-QGZVFWFLSA-N 262.441 4.558 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(C(F)F)cc1 131479946 DCVDWIPIRYGIOI-AWEZNQCLSA-N 292.716 4.954 30 10 CJEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1cc2ccccc2o1 134684582 YCUAHKIKVCWFEG-NWDGAFQWSA-N 296.395 4.778 30 10 CJEE C=C(CC)C[C@@H](O)c1cc2cccc(Br)c2o1 137130811 YAWXTEAPGDTBAD-GFCCVEGCSA-N 295.176 4.585 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1csnn1 143486667 YCUBXEHLXIQXDQ-CQSZACIVSA-N 283.485 4.849 30 10 CJEE CCCCCCCCC(=O)/C=C/c1ccc(N)cc1 159706060 NTCIXFDXEDPBJI-SDNWHVSQSA-N 259.393 4.602 30 10 CJEE C=CCCCNc1cc(Cl)cc(C(F)(F)F)c1 169090654 NTJZQGSKRUAJHM-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCNC[C@H]1C 169216863 VWBZVDNZIOAYGV-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218349498 DMPXTSLWEGKGJZ-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 227663751 UMVUFDBDKYGKEE-ZETOZRRWSA-N 296.336 4.814 30 10 CJEE CCSc1cccc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 228893370 SQQWGEBOYCKOHE-MELADBBJSA-N 289.444 4.874 30 10 CJEE CCCCCCCCCC(=O)CCC(C)(C)OC 230962413 AUQOHIGJXFUUBO-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 232724759 VBAGPFYFWHFIII-HZPDHXFCSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCCCCC(=O)C(C)(C)O 232926830 IZSSDUPBBBLZLA-UHFFFAOYSA-N 256.430 4.637 30 10 CJEE C=CCCCCC[C@H](Cc1ccccc1)NCCC 233163635 ZEWGUWZRVBGAMB-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C=CCCCCCN[C@@H](CCC)c1cccs1 233358594 PZOXYWUUULSKKY-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE O=C(C1=CCCCC1)c1ccc(F)c2ccccc12 236227673 AUHSELIZZYIEFC-UHFFFAOYSA-N 254.304 4.662 30 10 CJEE CCCCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250797765 BNDQIDWBXHOMDL-QAETUUGQSA-N 279.468 4.678 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NC[C@H]1CC(C)C 250841937 YCLJJSGXJYFRGH-MOPGFXCFSA-N 296.543 4.691 30 10 CJEE Cc1cc(N=Cc2cc(C)c(O)c(C)c2)c2ccccc2n1 263630340 DULLTIGEDHWCMA-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE C[C@H]1CCC[C@H](COCC2(CS)CCCCC2)C1 302455346 XVVDNKSKIUUASD-GJZGRUSLSA-N 270.482 4.710 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1cccc(Br)c1 304578795 YCOKRAVITJFHLG-FZMZJTMJSA-N 280.209 4.738 30 10 CJEE C=CCCNc1cccc(Cl)c1SC(F)F 309563470 KBYARLKHYLEUNT-UHFFFAOYSA-N 263.740 4.643 30 10 CJEE C=CCC(C)(C)CNc1nc(C)nc2sc(C)c(C)c12 312337340 MIEHYGUBAFTGHU-UHFFFAOYSA-N 289.448 4.631 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CCC)CC(C)C 312512374 AYSCFDYMONPGIF-SFHVURJKSA-N 284.532 4.822 30 10 CJEE Cc1cc(Sc2ccc3ccccc3n2)ccc1C#N 312753925 ZOEZFLGGTRPJLI-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=CCC[C@]1(CNCC(C)C)CCC[C@@H](CC)C1 318181597 OOSHHHVLLSYPEX-SJORKVTESA-N 251.458 4.785 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(OC2CCC2)c1 385074628 XFJHHCCJFSMEIF-UHFFFAOYSA-N 270.372 4.691 30 10 CJEE C=C([C@H](NCCC)C1CCC(C)(C)CC1)C(F)(F)F 388914434 VWJHBYREGUVDIV-ZDUSSCGKSA-N 277.374 4.690 30 10 CJEE Cc1ccc([C@H](C)/N=C2/N[C@H](CC(C)(C)C)CS2)cc1 393537419 BFUYLEBDZUCSML-DZGCQCFKSA-N 290.476 4.553 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1sccc1C(=O)C(C)(C)C 466858550 IVGWRFAJKDUVKR-LLVKDONJSA-N 293.432 4.518 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(c1cc(C)ccc1C)C(C)C 466860566 CJJNTOJDRSMANN-INIZCTEOSA-N 273.420 4.647 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc2sccc2c1 686682119 YLQWFNMJDCDTSR-OAHLLOKOSA-N 258.386 4.518 30 10 CJEE CO[C@H]1CCCC[C@@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688337966 NRSARPXYKKPDPQ-GJZGRUSLSA-N 277.452 4.938 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H]2CCCCC[C@@H]2O)C1 688338184 ODMXKBQRVCMFLR-CABCVRRESA-N 277.452 4.674 30 10 CJEE CCc1cc(Nc2cccc(Cl)c2C#N)ccc1F 690115040 WMZFNQHNRDBHSR-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C=O)CCCC[C@@H]1C 691809239 XNXLGRANMOLYNY-GXTWGEPZSA-N 260.368 4.843 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1c(Cl)cccc1OC 692242712 ZFARYNOUGXBZRL-XJKSGUPXSA-N 293.838 4.573 30 10 CJEE CC[C@@H](C)CCNc1ccc(C#N)c2ccccc12 696227556 DSTAVZYGJDYIPI-CYBMUJFWSA-N 252.361 4.560 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(Cl)c(OC)c3)C[C@@H](C1)C2 697334172 RMNUQNJDRIOFIM-NNQSOWQGSA-N 291.822 4.895 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ncccc2C)C1 701360792 WHSZQYIEGZKIGE-ILXRZTDVSA-N 274.433 4.591 30 10 CJEE CC(C)(C)[C@@H](CS)COc1cccc2sccc12 705008399 CCNJLEZHFHTQJR-LLVKDONJSA-N 280.458 4.872 30 10 CJEE C=C[C@H](C)O[C@H]1CCCCCCCCCC[C@H]1NCC 706075143 VBHHYPGNFYVNEQ-KSZLIROESA-N 281.484 4.839 30 10 CJEE CN([C@@H](CC#N)c1ccccc1)[C@@H]1CCCC(C)(C)C1 708584191 OKRKTZRJENSTIE-SJORKVTESA-N 270.420 4.542 30 10 CJEE C=CC[C@H](C=C)OC[C@@H](NCCC)c1cccc(Cl)c1 709507218 RYKPGBMKTHKLND-DLBZAZTESA-N 293.838 4.528 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCCC[C@H]21 714275407 KBZIJJQLNZWKKS-NILFDRSVSA-N 274.795 4.592 30 10 CJEE CCCCCCCCC(=O)c1cnn(C(C)(C)C)c1 714281820 SWYHKZCIDWAEEF-UHFFFAOYSA-N 264.413 4.571 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714442252 YRKPYHFLTGJEGS-HRCADAONSA-N 260.421 4.602 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714466809 QMHLHTVNXPFHQA-WNRNVDISSA-N 275.480 4.621 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(Cl)c1Cl 715720636 OUTKKTQDKQXGMD-YGRLFVJLSA-N 272.219 4.856 30 10 CJEE C=CCCC[C@H](NCC)c1cscc1C(F)(F)F 717211717 XFEBPMLVTAHPGJ-LBPRGKRZSA-N 277.355 4.774 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cc(F)cc(C#N)c1 718627792 RRRLWQOMPQKCQO-HZPDHXFCSA-N 274.383 4.714 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)NC1CCCCCC1 720351691 VZHMSQFZZSBAKC-SFHVURJKSA-N 276.468 4.942 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1ccc(F)cc1C#N 720941749 WNBJRTRKEBNXKJ-MRXNPFEDSA-N 274.383 4.858 30 10 CJEE C=C1CCC(C[C@@H](O)c2scc(C)c2Cl)CC1 724547194 LMLOPMJYMHRRCY-GFCCVEGCSA-N 270.825 4.880 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCSC2)NCCC)CC1 724567544 KOXQENFOOQYIAV-DLBZAZTESA-N 281.509 4.634 30 10 CJEE N#CCc1cc2c(SC(F)(F)F)csc2cc1F 725305326 YYGXIDXQLORZSL-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=CCC[C@H](Nc1ccn(-c2ccccc2)n1)c1ccco1 796896103 GQPBFVYCSHJKNE-INIZCTEOSA-N 293.370 4.585 30 10 CJEE Clc1ccc(CO/N=C(/c2cccs2)C2CC2)cc1 821233828 ZYSAKIQKDMCKEW-BMRADRMJSA-N 291.803 4.732 30 10 CJEE 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FWBLFWVOGCDHDX-MLGOLLRUSA-N 263.812 4.593 30 10 CJEE Cc1cc(Cl)cc(Cl)c1NCC#CC1CCCC1 2261098501 DIWDNSOYVCWZGM-UHFFFAOYSA-N 282.214 4.907 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc2cccnc2s1 2265473703 QQNGPLYLLFPROR-IUODEOHRSA-N 274.433 4.549 30 10 CJEE CCCCCCCCCOc1ccc(CF)cc1N 2268273129 QTXAXEQASSSVED-UHFFFAOYSA-N 267.388 4.868 30 10 CJEE C[C@](C#N)(C[C@H]1CCC[C@@H]1C(F)F)c1ccccc1 2270062933 QYELDWVADUEVGZ-IVMMDQJWSA-N 263.331 4.539 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)[C@H]1C[C@@H]2C[C@@H]2C1 2270197229 DROBUQWKVYHLIW-YYAJDYIMSA-N 285.497 4.972 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(OCCC)cc1 2271753965 GECBRNYCTXUFJS-UHFFFAOYSA-N 260.377 4.795 30 10 CJEE C=C1CC([C@@H](CC2CC3(CC(C)C3)C2)NCCC)C1 2272174119 QLKLOMCFTWYBJE-SZBXFDNESA-N 261.453 4.537 30 10 CJEE CCC(=CC(=O)c1ccc2c(c1)CC(C)(C)C2)CC 2274405452 NQNJZLZBXNROCW-UHFFFAOYSA-N 256.389 4.741 30 10 CJEE C=CCC[C@](C)(CCCCCCCC)OCCCN 2276605307 LBXNBTQQGCKIBJ-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@](C)(CC(C)C)OCCCN 2277222576 RKCMKQNOMNSONG-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C2CCC2)CO1 2278124778 NIDNDSSGBMKROA-IRXDYDNUSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@](C)(CCN)O1 2278124857 OBNQBZZTHGEMEC-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](CC2CC2)CO1 2278127287 MMOIJZUSDVIUNJ-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](CC)NCCC 2278234624 IKRHVFSDPYXKMV-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C)c(F)c(C)c1N 2279072539 VHKHFEPLVXOAJS-UONOGXRCSA-N 276.399 4.572 30 10 CJEE C=CC1(Nc2ccc3cccc(C)c3n2)CCCCC1 2279578423 UALHRDDRRUNKEI-UHFFFAOYSA-N 266.388 4.844 30 10 CJEE C=CCCCCCCC[C@@H](NCC)C1(OC)CC(C)C1 2281081147 KBXZTDYUBIPYCA-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE CC(C)(C)C#CC=CC[C@H](C(=O)O)c1ccc(Cl)cc1 2284169338 BIIIDLONSGVMPW-HNNXBMFYSA-N 290.790 4.504 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](C(=O)O)c1cccc(Cl)c1 2284181814 WQGRYSUAODHEFG-OAHLLOKOSA-N 290.790 4.504 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1COC2(CCC2)C1 2284820408 KJJCPQIIAVQKTG-DLBZAZTESA-N 281.484 4.804 30 10 CJEE C=CCCCSCc1ccc([N+](=O)[O-])c(NCCC)c1 2287073729 XXESWRQZDQMNDY-UHFFFAOYSA-N 294.420 4.616 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccc(F)c(C)c1 2287074090 BCPNVZHRTROVBY-QGZVFWFLSA-N 295.467 4.874 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)CCCOC1(C)C 2287384930 LUWGXUGGQBUMAO-SFHVURJKSA-N 281.484 4.696 30 10 CJEE CC(C)CCC[C@H](C)CCNCc1cccc(C#N)c1 2287967225 SJPLZDTVGYXPTM-INIZCTEOSA-N 272.436 4.500 30 10 CJEE N[C@@H](C#CC1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1 2289712682 ODEVTWLGDKLJLV-FHWLQOOXSA-N 273.464 4.504 30 10 CJEE CC[C@@H](C)CC(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290203814 XQKPIYUIZBPYOJ-CJNGLKHVSA-N 271.404 4.597 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)C(C)=C(C)C 2291394392 VZFKQAVHGNIUPW-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCC[C@@H](C)CC1 2292772023 TUJXWQUDDJFHIY-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](OCCCN)C1(C)CC1 2292799232 QZAJAUQNYICOER-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1C[C@@H]2C[C@@H]2C1 2293204878 VHGCEVBAMMPPKM-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1cc(C)co1 2293525288 QSRGJIMTOSGTPY-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](O)CC(C)(C)C 2295676057 HSZRNVFTDXLKLF-IRXDYDNUSA-N 285.516 4.902 30 10 CJEE O=C(C=Cc1ccc2ccccc2n1)c1c[nH]c2ccccc12 2297634222 QDMVOFJEWLIUSG-UHFFFAOYSA-N 298.345 4.612 30 10 CJEE C=CC[C@H](C)Sc1cccc(SCC)c1C#N 2298932463 JAAZDIDCADGGNI-NSHDSACASA-N 263.431 4.727 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)cs1 2304027612 JSCYBAGLNQUICY-GJZGRUSLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc2sccc2s1 2304119257 IAVKIWCKDDZPTL-ZIAGYGMSSA-N 266.431 4.989 30 10 CJEE C=CC[C@@H](C)Sc1c(Cl)cccc1CNCCC 2313698125 JIXBVGRSIRDGAN-GFCCVEGCSA-N 283.868 4.896 30 10 CJEE C=CC(C)(C)CCNCC=C(C)CCCC(C)C 2316498155 ZQVRSCUUGSCWMI-UHFFFAOYSA-N 251.458 4.951 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H](C)[C@@H](C)C1 2321105122 MMGUPHSITYYURL-HMDCTGQHSA-N 251.458 4.639 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1ccc(F)cc1Cl 2327165557 KQEXPHLIDPMVDG-CQSZACIVSA-N 290.831 4.840 30 10 CJEE CCCCCCCCCC[C@]1(CO)COCC1(C)C 2336194612 MNHGCYWRBDQRAU-KRWDZBQOSA-N 270.457 4.552 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](OC)C[C@@H](C)N1 2336670150 CASRPNFMRAAUMS-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE C#CCC1(NCC=C(C)CCCC(C)C)CCCC1 2338439607 HXQIVXXQCZNYCT-UHFFFAOYSA-N 261.453 4.685 30 10 CJEE CC(=CC[C@]1(C#N)COCC1(C)C)CCCC(C)C 2338443502 WYJHBLDZGUVWPI-KRWDZBQOSA-N 263.425 4.715 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2C)C1 2338674432 QXEOLWBNIOMYJR-CYBMUJFWSA-N 296.241 4.537 30 10 CJEE C=CCC(CC=C)N(C)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338913072 OIAXAELMEGWRLD-YESZJQIVSA-N 261.453 4.655 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C[C@H]2CC[C@H]1C2 2339070003 JRIVTEOMZIPUEZ-UGDFAFBOSA-N 257.421 4.923 30 10 CJEE CCC(CC)(CS)COC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339124956 SNIVTJPHDKKHSQ-OAGGEKHMSA-N 282.493 4.732 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCC12CCC2 2339280344 XGEMCIFGEOGRMF-XLMAVXFVSA-N 258.405 4.518 30 10 CJEE CC(C)[C@H](C)[C@@](C)(O)[C@@]1(C#N)CCCC(C)(C)CC1 2340259790 CWXWNUBBPRTQDQ-UAGQMJEPSA-N 265.441 4.530 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(F)(F)C(F)F)NCCC 2344337167 OOSZDXRWNTZFFD-DGCLKSJQSA-N 283.353 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2344345092 LLVKXPQABGLTJA-ZKXLYKBJSA-N 261.453 4.689 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC(C)(C)CC(F)(F)F)NC 2344354532 ABMBLARKJRVLCS-JSGCOSHPSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)CC(F)(F)F)NCC 2344356494 MJMUOOFKTIJUBE-LBPRGKRZSA-N 279.390 4.936 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C1(F)CC1 2351900589 ZUAFBRPEUFZEMV-CQSZACIVSA-N 288.428 4.592 30 10 CJEE C=CCCSC1(C(=O)O)CCC(C(C)(C)CC)CC1 2351999932 BEXYFZBMAKXBEV-UHFFFAOYSA-N 284.465 4.746 30 10 CJEE CC(C)Sc1cccc(C2=CC(=O)CC(C)(C)C2)c1 2352918119 ZCYRECFMCAQABU-UHFFFAOYSA-N 274.429 4.960 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NN 2359297362 RAKRUCFKDJWBNJ-XDNAFOTISA-N 280.500 4.785 30 10 CJEE O=C1/C(=C\c2ccsc2)CS/C1=C/c1ccsc1 8555495 IICDGTDGBIROMG-UWRPRBHNSA-N 290.434 4.550 30 10 CJEE Cc1ccsc1[C@@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@@H]21 13645611 OEDUUOSGYKPLKO-GRDNDAEWSA-N 292.407 4.755 30 10 CJEE CC(C)C[C@@H](Nc1ccccc1C#N)c1ccccc1 19984609 KCBBWGOHXGSOBH-GOSISDBHSA-N 264.372 4.758 30 10 CJEE Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccccc1C#N 37203104 MHYGZULTGSQPOY-NSHDSACASA-N 299.443 4.794 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1c(Cl)cccc1Cl 37937103 KVLZTBJIQZZLOK-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc2ccccc12 54823013 TZGMGGXJDYEXIL-DOTOQJQBSA-N 264.372 4.724 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1ccc2c(c1)CCC2 57686999 FBRAYHKSQGIGEG-GOSISDBHSA-N 291.394 4.560 30 10 CJEE CCOc1ccc(C[C@H](C#N)c2cc(C)ccc2C)cc1 57755569 QROHFYCXSHYQID-QGZVFWFLSA-N 279.383 4.552 30 10 CJEE CCCCCCCCNc1cc2c(cc1Cl)OCO2 59427242 LEHRWFANWHJGJJ-UHFFFAOYSA-N 283.799 4.841 30 10 CJEE Cc1ccsc1[C@H](C)Nc1cc(C#N)cc(F)c1C 70091143 GMOIJKYYMCICLH-NSHDSACASA-N 274.364 4.549 30 10 CJEE N#CC1(c2ccc(F)cc2)CC2(CCCCCC2)C1 86543309 OELOYYLHZFDFCP-UHFFFAOYSA-N 257.352 4.721 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)CC1 86949163 XLDCMGYARQLXGM-RHSMWYFYSA-N 274.383 4.880 30 10 CJEE C=C(C)C[C@@H](NCC)C(CC)(CC)c1ccccc1 92129658 MPDXLXXPIDRXSF-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 100220763 FAEWLOPIQSPBBJ-OAOMGELKSA-N 294.181 4.879 30 10 CJEE Cc1ccc(Sc2ccc(Cl)cc2C#N)cc1C 104178543 NXSQKMWQQOHDQQ-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2ccc(F)c(C#N)c2)cc1 109947785 SBAFKVCJKPPEDD-CYBMUJFWSA-N 282.362 4.994 30 10 CJEE CCCCCCCO[C@]1(CNC(C)C)CCC[C@@H](C)C1 110067918 DMEGAFSDHAXZSS-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@@H](C)NCC 111711428 NDZKIUWZEIKUBJ-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCN[C@H](C)CCC[C@H](C)C(=O)O 115733161 SLIVEGOEMHNUJU-DLBZAZTESA-N 299.499 4.996 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(c1)CC(=O)N2 115855170 JKKVRWYBQDVHIV-UHFFFAOYSA-N 287.403 4.505 30 10 CJEE CC1(C)CCC(Oc2cc(Cl)ccc2C#N)CC1 125268325 YPZORBBPCZDJAI-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE CCC1CCC(Nc2cc(C#N)ccc2Cl)CC1 125643014 WTHGLGXIKZVJPT-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCCO1)NCC 127186842 DYHDLCONRXOJAB-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(C#N)cc1 127827653 CPTYNXALRDVIMS-QGZVFWFLSA-N 259.393 4.516 30 10 CJEE CCCCCCCCCC[C@H](NN)c1occc1C 130822745 HVOHGKGOFFBXDH-HNNXBMFYSA-N 266.429 4.623 30 10 CJEE CC1(C)CC(N[C@@H](CC#N)c2ccccc2)CC(C)(C)C1 130877852 FWBNSLFKVGIRBI-KRWDZBQOSA-N 284.447 4.836 30 10 CJEE CCCCCCCCCCO[C@H]1CCCCC[C@@H]1N 136278192 ZXPFZTGNZUGORL-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc(OC)c1OC 140385172 MWIUJZBVGNNAQA-INIZCTEOSA-N 293.451 4.715 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(F)c1F 158047893 PKRDQEQLVMUFML-AWEZNQCLSA-N 255.352 4.586 30 10 CJEE CCCCCCC[C@@H](NC)C1(OCC)CCCCC1 158423967 QGVAZWZRHMFPPF-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CC#CCCNCCCCCCCCCCCC 158448032 NHZQPOOHZDOUOR-UHFFFAOYSA-N 251.458 4.910 30 10 CJEE CC1(C)CCC[C@](O)(C2(C#N)CCCCCCC2)C1 158997847 VAQSKEPPELKEKK-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@](C)(CC)OCC 163976503 FLWBZWKAILMWAS-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@@H](C)O1 165093308 UADPHFCBMWVMIQ-GDBMZVCRSA-N 254.414 4.654 30 10 CJEE C=C1C[C@H](c2ccc(Cl)cc2)N(C(=O)OC(C)(C)C)C1 169607610 PBTGCJSWFQDLNV-CQSZACIVSA-N 293.794 4.578 30 10 CJEE Cc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)c(C)n1 184824343 BUAHEDIVHSLLFU-AWEZNQCLSA-N 282.412 4.565 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C 185655220 IJAIPJNBKDOWEP-QAPCUYQASA-N 285.431 4.569 30 10 CJEE CCCCCCCCCN[C@@H](C)c1ccccc1O 226314602 ZEDVLDQQQILDII-HNNXBMFYSA-N 263.425 4.793 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H]1C 226947440 KWKNBLIDHAWUOW-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@H](NCCC)C1(OC)CCCC1 228220347 PKEKUAGHRWRVQA-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 228821632 IJVXWUHDCQCMJA-CABCVRRESA-N 257.421 4.571 30 10 CJEE CCCCCCC[C@H]1C[C@H](N)c2cc(Cl)ccc2O1 229069175 YRFVHVDGTJVOAP-ZFWWWQNUSA-N 281.827 4.851 30 10 CJEE C#CCCCC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229530727 GKWBPUFSQKKEII-AFGAAMFOSA-N 272.432 4.746 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCC[C@@H](C(C)C)C1 230990536 FOZUGKDIBYYMCF-HUUCEWRRSA-N 274.383 4.633 30 10 CJEE CC(C)C1(CNc2ccc(C#N)c3ccccc23)CC1 232549119 AZFYVWRNADMHAL-UHFFFAOYSA-N 264.372 4.560 30 10 CJEE Cc1cc(Oc2nccc(C#N)c2Cl)ccc1C(C)C 232745025 MAZYENADACVLTN-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCOC1(CCNCC(C)C)CCC1 232929523 GFFHKVUAAAOMPN-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(C=O)c1 232936807 VEXJKGVJVIEQOG-UHFFFAOYSA-N 275.392 4.578 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSc1cccc(C)c1 233152436 QMWUCABRNRGDPO-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE CCCC(CS)(CCC)CN1[C@H](C)CC[C@H]1CC 251222799 YXHPPITZKCFQPQ-HUUCEWRRSA-N 271.514 4.766 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 252192613 RVLKRUIVZPFHEJ-UHIISALHSA-N 296.336 4.814 30 10 CJEE C[C@]1(c2cc(Cl)sc2Cl)CCC[C@@H](CC#N)O1 310093299 KIGUYNUWFQEGAI-QPUJVOFHSA-N 290.215 4.753 30 10 CJEE CC[C@@H]1CCC[C@H](n2ccc3c(C#N)cccc32)C1 311268252 SLLOUILJALODPD-HIFRSBDPSA-N 252.361 4.654 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccccc2F)CC1 317575386 MKKROQWSSHTKGZ-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE C=C(CC)C[C@@]1(CNCCC)CCC[C@H](CC)C1 319282593 MRBBERHSSHMIOL-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE CCCCCCCCCCCCNC[C@H](O)C(C)(C)C 324532705 PRLZTKYLFIQJRA-KRWDZBQOSA-N 285.516 4.904 30 10 CJEE CCCCCCCCn1ccc(CNC(C)C)c1CC 380518698 BIMMXZSLLJQFQN-UHFFFAOYSA-N 278.484 4.909 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)c1ccc(Cl)cc1 380917360 BQLPOODAPQOQFM-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1sccc1Cl 384869509 ONBXJQBJCQTHEW-GXFFZTMASA-N 253.798 4.664 30 10 CJEE C=C([C@H](C[C@@H](C)C(C)(C)C)NCCC)C(F)(F)F 385588917 HWZMMYJRHZZKTM-PWSUYJOCSA-N 265.363 4.545 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](C#N)Nc2ccccc2C)C1 394544934 VZLKOGJOUIAQFG-INMHGKMJSA-N 256.393 4.516 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CS1 395155453 OFEAAZLQYYIPOA-HOCLYGCPSA-N 296.524 4.987 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)cc1C(F)(F)F 400115171 IDBZPPTYHUUOCC-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE N#CCc1cc(F)cc(-c2cc(Cl)ccc2Cl)c1 514262672 WCSHGEHYRXEAAE-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCc1ccccc1N=C1NC2(CCCC2)CCS1 687324285 RLXUVJKQEQRMMW-UHFFFAOYSA-N 288.460 4.666 30 10 CJEE CCCCCCCCCCN(CCCN)C(C)(C)C 690080227 XFZCUYCTKSWDRA-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CSc1cccc(NC[C@@H]2CCCC3(CC3)C2)c1C#N 695773403 ROXGEVKMQWXJET-CYBMUJFWSA-N 286.444 4.662 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@]1(C)CC1(F)F 701608730 SGTPRFDZMQKULP-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc2cscc2s1 703653773 NDVBRJHLGFLBRU-LBPRGKRZSA-N 265.447 4.970 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(OCCC)c1 703996834 WUUSSQAZFUELJG-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 704024416 WJDJLSQMGLGRLE-YESZJQIVSA-N 263.469 4.927 30 10 CJEE CCCCCCCNCC(C1CCC1)C1CCC1 704499088 HSCBMNYYNPGALH-UHFFFAOYSA-N 251.458 4.763 30 10 CJEE C=C(Cl)CC(=O)c1cc2cccc(Br)c2o1 710696756 LURPMPWRUPTHMD-UHFFFAOYSA-N 299.551 4.521 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCCC2)CS1)C1CCCC1 713202348 INIZDJZVZBSIML-CQSZACIVSA-N 294.508 4.741 30 10 CJEE N#C[C@]1(CC[C@@H]2C[C@@H]2C2CC2)CCCc2ccccc21 714896684 QPXDSPWDVGFAOV-ZHALLVOQSA-N 265.400 4.611 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccccc1OCc1ccccc1 715724197 UIRWWVYJSWWGBY-OXQOHEQNSA-N 295.426 4.738 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccc(C)nc2)CC1 724560579 QOGHLZVXRLOZLI-SFHVURJKSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(F)c(F)c2F)CC1 724570914 IYDYUJOJOHUFSG-CQSZACIVSA-N 283.337 4.501 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H]2CCCc3sccc32)CC1 724615418 GFPPZESXUXYUJR-GDBMZVCRSA-N 275.461 4.632 30 10 CJEE Cc1cc(SC(F)(F)F)c2sccc2c1C#N 725292399 UFWGPFWUVLYLCO-UHFFFAOYSA-N 273.304 4.693 30 10 CJEE FC(F)(F)Oc1ccc(C#Cc2cccc(Cl)c2)cc1 725419547 OTNVZQUPMSEEIS-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccccc1 821217654 LSAHFXCGHXLLHT-KNTRCKAVSA-N 291.753 4.810 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 1125050991 WLPGAAVUJQPFJA-CXAGYDPISA-N 291.410 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C/Sc2ccccc2)c1 1134838003 IRABSWVHOLUFRZ-VAWYXSNFSA-N 295.407 4.964 30 10 CJEE C=CCn1c(S[C@H]2CC[C@@H](C)C2)nc2ccccc21 1188053911 SISWUTOOWXXFIH-OLZOCXBDSA-N 272.417 4.503 30 10 CJEE C=CCC[C@H](CCC)NCC[C@H]1CCCC1(F)F 1207302951 WSDKXXOBTBDWGF-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)ccc1C 1274904376 KOXADTXRNIKWQH-UHFFFAOYSA-N 273.420 4.560 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C\C2CCCCC2)c1 1289566889 HAXFWIAQBBCSMC-QXMHVHEDSA-N 269.388 4.795 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H](C)CCC=C(C)C 1349893732 LOWJNPIIFQAUIN-GOSISDBHSA-N 299.458 4.974 30 10 CJEE C=CCCCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 1354018115 QXTUNSXNIMDFPT-UHFFFAOYSA-N 297.398 4.786 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](C)[C@@H]2CCC)CCCCC1 1361128269 VQFAEKOGQXQLAL-SJORKVTESA-N 291.479 4.940 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)/C=C(\C)c1ccccc1 1456308389 PZQHCPAQDURNON-BMRADRMJSA-N 297.442 4.685 30 10 CJEE C=CCC[C@@H](O)CN(c1ccccc1)[C@@H](C)c1ccccc1 1459922324 TUWGWJHLQLYFKJ-FXAWDEMLSA-N 295.426 4.581 30 10 CJEE C=CCCC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 1460710414 PGRLGVSCHNCBOT-GOSISDBHSA-N 296.439 4.807 30 10 CJEE C=CCN(Cc1cc(O)ccc1Cl)CC1CCCCC1 1473162908 INAIKRVVHSQECR-UHFFFAOYSA-N 293.838 4.614 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 1474515857 AGUCHLOPKDIHRM-GBESFXJTSA-N 299.458 4.700 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1 1474729445 FGYJKCLVXHBUIL-FZMZJTMJSA-N 251.320 4.781 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1c(OCC)ccc2ccccc12 1521771033 HIEVZZDBOOZSJH-CQSZACIVSA-N 298.382 4.746 30 10 CJEE C=C(C)COc1cccc(NC(=O)/C=C\C2CCCCC2)c1 1528137172 CRCGMINUFOHDBZ-QXMHVHEDSA-N 299.414 4.717 30 10 CJEE C=C(CC)CNC(=O)C1(C2CCCCC2)CCCCC1 1528912485 DQQMNHQCMSCWFU-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCC1(NC(=O)[C@@H](C)CCCc2ccccc2)CCCC1 1532701042 KDJGLHVIHMHRIZ-KRWDZBQOSA-N 299.458 4.651 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CC(C)(C)c2cc(Cl)ccc21 1534607106 SFEAHFQWPCNHHP-QGZVFWFLSA-N 291.822 4.567 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)c1ccccc1-c1ccccc1 1536089216 MXPODXXPZKIHDH-INIZCTEOSA-N 293.410 4.919 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 1537258648 ZLWHANPIFLOHOO-CYBMUJFWSA-N 291.822 4.606 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccccc1)[C@H](C)C(C)C 1537972016 ZOZURSUPIGSWBS-OAHLLOKOSA-N 273.420 4.666 30 10 CJEE Cc1cc(C)cc(CS[C@@H](C#N)Cc2ccccc2)c1 1559382938 BYJLLOOTDMSMHR-GOSISDBHSA-N 281.424 4.672 30 10 CJEE C=C(Cl)CN[C@H](C)c1cccc(SC(F)(F)F)c1 1560154815 SVTIIQJJCOMFFE-SECBINFHSA-N 295.757 4.702 30 10 CJEE C#CC[C@H](NC[C@@H](C)CCc1ccccc1)c1ccccc1 1560402916 MHLSEFYWISVTKU-RXVVDRJESA-N 291.438 4.610 30 10 CJEE C#CC[C@@H]1CCCN(CC2CCC3(CCCCC3)CC2)C1 1560901588 XDLQPTVZNXSNBG-GOSISDBHSA-N 287.491 4.862 30 10 CJEE C=C(C)C[C@H](CO)NC1CCCCCCCCCCC1 1560983245 SQLCNSNUEKDGLK-GOSISDBHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCNC(=O)[C@]1(C)CCC[C@H]1CC 1583104326 SNNQJSBQJKPJEJ-SJLPKXTDSA-N 279.468 4.846 30 10 CJEE C=C[C@@H](CC)CC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1586326873 WRECZEIYZNMWPZ-GOEBONIOSA-N 285.431 4.765 30 10 CJEE CC(=O)c1cccc(C#Cc2cc(Cl)cc(Cl)c2)c1 1614730662 CWVIREVJJPIUEJ-UHFFFAOYSA-N 289.161 4.596 30 10 CJEE CCCCOc1ccc(C#Cc2cc(F)cc(F)c2)cc1 1614825412 GHDAXOGSRBLWAP-UHFFFAOYSA-N 286.321 4.544 30 10 CJEE C=CC[C@H]1CCCN(C/C=C\c2cc(C)c(C)cc2C)C1 1621430263 BBGCLZNGHJXHFU-KWEPMOPPSA-N 283.459 4.913 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(Oc2ccccc2C)c1 1627065864 XLRYIVSREHCQGF-UHFFFAOYSA-N 295.382 4.938 30 10 CJEE C=CC1(CC(=O)N[C@H](CCCC)C2CCC2)CCCCC1 1630616894 XQFHRYZGIUCVEL-QGZVFWFLSA-N 291.479 4.988 30 10 CJEE C=CCN(Cc1csc(C2CCCCC2)n1)C(C)(C)C 1647788398 YEVZHWVCBOFWKI-UHFFFAOYSA-N 292.492 4.977 30 10 CJEE C=CCCCCCOc1ccccc1C(F)(F)F 1651733063 MZOQWSFZSRMYRV-UHFFFAOYSA-N 258.283 4.831 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cnn(C(CC)CC)c2CC)C1 1652352964 XTXYPCWUEVLETI-HUUCEWRRSA-N 289.467 4.963 30 10 CJEE C=CCN(Cc1nc(-c2ccc(C)cc2)cs1)C(C)C 1652363880 NTQJNRFQPUSSGY-UHFFFAOYSA-N 286.444 4.515 30 10 CJEE C=CCCCCCN1CCO[C@H](c2ccc(Cl)s2)C1 1652583211 RONIDJCHWRQFKQ-ZDUSSCGKSA-N 299.867 4.521 30 10 CJEE C=CCCCCN1CC2(CCCC2)c2c(F)cccc21 1653752584 XAQJMXXJRWSCCH-UHFFFAOYSA-N 273.395 4.814 30 10 CJEE C=CCC[C@@H](NCc1cccc(F)c1F)c1ccccc1 1655957110 QBWQVFVUMYYSQW-QGZVFWFLSA-N 287.353 4.762 30 10 CJEE C[C@@H](CCC#N)CN1CCC[C@@H](CCCc2ccccc2)C1 1658502256 BKBDJAKVCDRSLH-AZUAARDMSA-N 298.474 4.661 30 10 CJEE C=CCCCC[C@H](C)Nc1nccc(C)c1C1CC1 1659614887 FUKSDEISONUJPU-AWEZNQCLSA-N 258.409 4.814 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2F)C1 1660555346 NTKZWICNBWWNEB-IUODEOHRSA-N 259.368 4.860 30 10 CJEE CC1(C)C[C@@](C#N)(CC2(C(C)(C)C)CCC2)CCO1 1876743026 IMBFHDYCDHJRDU-MRXNPFEDSA-N 263.425 4.692 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H](C)C(C)(C)C(F)(F)F 1878532858 TUQFHRKFBOYMHR-NSHDSACASA-N 299.446 4.631 30 10 CJEE C#C[C@H](NC(CCCCC)CCCCC)C1CCC1 1878555943 YVLWQTZHNBLRRK-SFHVURJKSA-N 263.469 4.907 30 10 CJEE CC#CCCCCN(Cc1ccccc1)Cc1ccccc1 1879947498 YCNCETXPASAJRG-UHFFFAOYSA-N 291.438 4.882 30 10 CJEE CCCCCCCCCN1CC(c2ccccc2)C1 1883007268 RMVGKVKZCWGYGM-UHFFFAOYSA-N 259.437 4.836 30 10 CJEE CC#CCCCCC1(O)CCC(C(C)(C)CC)CC1 1885237045 NBYDMFFQJJOFGB-UHFFFAOYSA-N 264.453 4.928 30 10 CJEE CC#CCCCC[C@@H](CCCc1cccs1)NCC 1885265131 OONKEPXMNDOOMF-INIZCTEOSA-N 277.477 4.633 30 10 CJEE CC#CCCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1885367321 HCKFEPZVARQYIA-IXDOHACOSA-N 260.421 4.746 30 10 CJEE CCCCCCC[C@H](CN)N(C)CCCCCCC 1887145097 SXOKFOOEVYZVRD-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=CCC(CC=C)SCc1ncccc1Br 1899418413 VHNURTKDLHAMNZ-UHFFFAOYSA-N 298.249 4.598 30 10 CJEE Cc1cccc(SC[C@H](CS)CC(C)C)c1 1905529659 PKMNEVOHFZJOJQ-ZDUSSCGKSA-N 254.464 4.679 30 10 CJEE C=CC[C@H](C)O[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 1913339838 KILPOKBUBFDCLK-UWVGGRQHSA-N 287.186 4.546 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1ncc(C#N)cc1Cl 1917254818 FGTHJBWFBICNCX-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCC[S@](=N)(=O)c1ccccc1OC 1917879008 ZKSGLEZBYQIZJB-FQEVSTJZSA-N 297.464 4.851 30 10 CJEE C[C@@H]1CC[C@@H](C2CCC2)CN1c1cc(Cl)ccc1C#N 1924150261 ARPASDRDQCDSNH-IUODEOHRSA-N 288.822 4.617 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)CC(CC)CC)CC1 1926194260 SYDPIPMVIAWEKT-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cnccc1OC 1927247429 YSPCUJPAMITNIU-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE Cc1cccc2c1CC[C@@H]2Nc1cccc(Cl)c1C#N 1969350762 VGKKLCWVBOAEPM-KRWDZBQOSA-N 282.774 4.620 30 10 CJEE C[C@@H]1CC[C@H](COc2ccc(C#N)c3ccccc23)C1 1970521060 TZWRZWWNZYRTTL-KGLIPLIRSA-N 265.356 4.526 30 10 CJEE C[C@@]1(CNc2cc(Cl)ccc2C#N)CCCCC1(F)F 1973199258 QLYQNHVFJBKNAX-AWEZNQCLSA-N 298.764 4.839 30 10 CJEE C=C1CC(Cc2c(Cl)ccc(Cl)c2OC)C1 1994290277 UVHNZGNEBIDANT-UHFFFAOYSA-N 257.160 4.511 30 10 CJEE CCC(C#N)(CC)Cc1cscc1C(F)(F)F 2000516535 XKJDACGBPWHQRE-UHFFFAOYSA-N 261.312 4.639 30 10 CJEE CCC[C@](C)(C#N)CCOc1ccc(Br)cc1 2000520197 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CCCCCCCC[C@H](O)[C@H](C[C@H](C)CC)NCCC 2207459381 WFPYUWDZZXDGPP-SQNIBIBYSA-N 285.516 4.902 30 10 CJEE CC1(C)CC(C(=O)[C@H](C#N)[C@H]2CC2(C)C)CC(C)(C)C1 2207609640 QNBOVYRDKKKFCD-ZIAGYGMSSA-N 275.436 4.594 30 10 CJEE C=C(C(F)(F)F)[C@](C)(O)CCCCCCCC 2217293071 OVPHAPVSBYFSBY-GFCCVEGCSA-N 252.320 4.607 30 10 CJEE C=CCCCCCCC[C@H](N)c1sc(C)nc1C 2220086699 PKEJCIJMTRFJOH-AWEZNQCLSA-N 266.454 4.676 30 10 CJEE C=CC1(C[C@@H](NC)c2sc(C)c(C)c2C)CCC1 2221241258 OLNJRKSZHNETFI-CQSZACIVSA-N 263.450 4.680 30 10 CJEE CCC[C@@](C)(C#N)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2222039817 JTHDDQLUMJTMOY-UONOGXRCSA-N 286.202 4.531 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC(C(F)F)C1 2223856812 ICMLDMVJJSXQMW-IYXRBSQSSA-N 261.400 4.759 30 10 CJEE C=CCCCCCCCCOCCC[C@@H](N)C(C)C 2225679339 OYPTYZNZHJODEE-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCNCC1C[C@@H]2[C@@H](C1)C2(C)C 2227276505 RQYLQXLASUGNHX-IAGOWNOFSA-N 263.469 4.785 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CC[C@H](C)CC1 2227284002 AKHTUOOJIPCGLD-BRWVUGGUSA-N 266.473 4.561 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30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@]1(C)COC 2295591065 ALQSJWVNEGPSMN-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O[C@H](C)C1CC1)C(=O)O 2295596126 HQPRTTSDTWEWPQ-RHSMWYFYSA-N 284.440 4.786 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1sccc1C 2304024817 OCIXGEUJWSFFQH-LSDHHAIUSA-N 251.439 4.700 30 10 CJEE CC1(C)CC[C@H](CCC2(C#N)CCSCC2)C1 2304432517 WBJIKXVIDXUQQK-CYBMUJFWSA-N 251.439 4.630 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC(C)(C)[C@H]1N 2313523621 BXUYKGXMYPHGRX-CABCVRRESA-N 267.482 4.537 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C=O)c(C(F)(F)F)c1 2313622410 LRMFIWYWEDBTQM-SECBINFHSA-N 274.307 4.575 30 10 CJEE Cc1c([C@@H]2CCC[C@H](CC#N)O2)ccc(Cl)c1Cl 2318099468 PFNMFXJOYHHCPC-MFKMUULPSA-N 284.186 4.826 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CCC(C)(C)C1)NCCC 2319319757 ZBEJLLQRNRHMDT-HRCADAONSA-N 251.458 4.783 30 10 CJEE C[C@@H]1C[C@@H]1CCCCN(C)CCCCCCCS 2319879134 ULOLKUUDUHLYHN-CVEARBPZSA-N 271.514 4.625 30 10 CJEE CCC[C@H](CS)COCc1cccc(C(C)C)c1 2320655945 WRCYZPIYAZAMLT-HNNXBMFYSA-N 266.450 4.673 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(F)cc(Cl)c1 2321130820 MFTQYAGTVOAQOP-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1C[C@@H](F)C1 2327358234 YBOKDYQJWHRCBD-IYBDPMFKSA-N 255.421 4.583 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1C)OCCCN 2334992914 AKDHLGAIYLHTIU-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CC)CC[C@H]1C(=O)O 2335095027 WSNMWNNZILWOGM-NWANDNLSSA-N 282.449 4.520 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@H](NCC)c1ccc(F)cc1 2335188040 NNTQSGUINOPEIA-ZENOOKHLSA-N 281.440 4.563 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1CN[C@H](C)CC 2335229368 LUMYSMLJDAVEKP-OLZOCXBDSA-N 281.440 4.771 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H](C)SC 2335901859 JJNQEFIUINYCDF-HOTGVXAUSA-N 288.545 4.881 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338687992 FAMDNYDYPVGIIK-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(F)c(C)c1C 2340917298 GVURURGIIYUJEC-WFASDCNBSA-N 263.400 4.838 30 10 CJEE CCCCCCCCN1CC=C(c2ccccc2)C1 2341146949 CDIBJDODTBLKCP-UHFFFAOYSA-N 257.421 4.746 30 10 CJEE CC(F)(F)CC[C@H](O)CCCCC(F)(F)C(F)(F)F 2342298885 ZQAAAGMAHULAPD-MRVPVSSYSA-N 298.242 4.541 30 10 CJEE O=CC1(CC[C@@H]2CC[C@H]2C2CC2)CCC(F)(F)CC1 2342384637 FEFFQYPBYMVYTG-KBPBESRZSA-N 270.363 4.597 30 10 CJEE C=CCC[C@H](N)C[C@H](c1ccccc1)C1CCCC1 2342555793 DSWSOFGRDASVGN-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE CCCCCCCCCNCC1(C(C)(C)OC)CC1 2343758041 YRHDUGVUIOTKAU-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C)(C)C(F)(F)F)NCC 2344343763 PRDYYQNVTCNWSU-TZMCWYRMSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC[C@H]1CC1(F)F)NCC 2344375517 CRBDYMXCWUDDPL-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCC12CCC2)NCC 2344381806 DBHUYMFEEWAKGZ-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1cc(Cl)cc(C#N)c1 2352093899 SQOULANAJGLMIP-OAHLLOKOSA-N 297.851 4.573 30 10 CJEE C#CC[C@@H](C[C@H](O)c1c(Cl)cc(C)cc1Cl)C1CC1 2353082547 DWJZBSOYNSATQU-WFASDCNBSA-N 297.225 4.775 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1 2354984974 FSYQTJGIBXEPKL-WNRNVDISSA-N 275.480 4.927 30 10 CJEE C=CCC(CC=C)O[C@H]1CCCCCCCC[C@H]1NC 2360210910 ZFSKQWYHROEZFS-MSOLQXFVSA-N 279.468 4.615 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1ccc(O)cc1 37766267 UHWZPJOWBOVHEM-CYBMUJFWSA-N 285.412 4.843 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(C(C)C)cc2)c1 37936815 GXZIURAJQZYCDD-SFHVURJKSA-N 264.372 4.795 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2nc(C)c(C)c2C)C1 40730057 STZPYHAZGTUWRL-BRWVUGGUSA-N 287.451 4.726 30 10 CJEE Cc1ccc(C)c(OCC[C@H](C#N)c2ccc(F)cc2)c1C 57685768 KQRAJIKJISSGLL-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE Cc1ccc(C)c(C[C@@H](C#N)c2c(F)cccc2Cl)c1 57759907 DBZVPHWWRFADPS-AWEZNQCLSA-N 287.765 4.946 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1c1c(Cl)cccc1Cl 62625243 XKLPYYKEMLQFJQ-UWVGGRQHSA-N 254.160 4.791 30 10 CJEE CC(C)n1nc(C2CCCCC2)c2c1CCC[C@@H]2CC#N 82825845 BERFMYVBCOUSHF-CQSZACIVSA-N 285.435 4.845 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc2sccc2c1 88120367 BDYRLGQLVIJLES-ZFWWWQNUSA-N 270.401 4.786 30 10 CJEE N#CC1([C@@H](O)c2cccc(Cl)c2Cl)CCCCC1 91881578 AECHFIHWEIUDHH-ZDUSSCGKSA-N 284.186 4.501 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297286 DHHBAYIMAJBULS-XJKCOSOUSA-N 257.402 4.596 30 10 CJEE C[C@H]1CCCC[C@H]1N(C)CC1(CS)CCCCCC1 94580975 JXWBIEOAYDRBBP-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc2ncccc12 97284093 JUVAPZDFVDBWKL-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(Cl)ccc1OC 107581287 URBNTXNSNDDUMX-NWDGAFQWSA-N 250.769 4.502 30 10 CJEE C#CC[C@H](CCC)c1cc(Cl)c(C)cc1OC 107620079 PPZRJRUBBOYFTR-GFCCVEGCSA-N 250.769 4.564 30 10 CJEE CCOc1c(CCCS)cc(Cl)cc1C(C)C 107632508 KUIQGRRSORRJBP-UHFFFAOYSA-N 272.841 4.725 30 10 CJEE CCc1cccc(Oc2cccc(Cl)c2C#N)c1 110261396 DQANPNGPQMRSIK-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCC[C@H](CN)N1CCC[C@H](CCC)CC1 112756965 CAKKPYKMWPDMQR-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@H](CSCC)NCC 114861266 QSGFFFAVHXALLZ-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cnn(C)c1 115651952 PQPMHJZGMYQRAN-KRWDZBQOSA-N 280.456 4.765 30 10 CJEE CCCCCCCCC(=O)N(C)[C@H](C)c1ccc(O)cc1 115858569 YPUYZFBXVMGRON-OAHLLOKOSA-N 291.435 4.662 30 10 CJEE CCCCCCCC[C@H](NC)C1Cc2ccccc2C1 116270199 DGPVZCRQSUELGK-IBGZPJMESA-N 273.464 4.740 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2cc(C)ccc2o1 122381350 KJYMMWIBPGVLIM-MRXNPFEDSA-N 288.435 4.996 30 10 CJEE CCCCCCCCC[C@@]1(O)CC(C)(C)OC1(C)C 123614987 CLDVCXTVKWPPGH-QGZVFWFLSA-N 270.457 4.836 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1cc(C#N)ccc1N 124543718 TWAXPVWXJVOBGQ-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCCC(=O)c1cccc(OC)c1OC 135444012 RPNGGTPPRPXXIR-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCCCCCn1cc2c(c1)[C@@H](O)CCC2 135445120 SREWKPIWYDJCMI-SFHVURJKSA-N 277.452 4.999 30 10 CJEE CCc1cccc(Oc2cccc(SC)c2C#N)c1 136706709 QKJBCIZTWYYWOH-UHFFFAOYSA-N 269.369 4.635 30 10 CJEE CC(C)CCN(CC1(CS)CCCCCC1)C1CC1 148859111 NRGHGAJWLGQYOM-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)c(F)c(F)c(F)c1F 158037079 QZEYJTPSOWVGAU-MRVPVSSYSA-N 295.295 4.742 30 10 CJEE C[C@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)CC1 159005382 ORQQNNFPDQXENW-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE C=CC[C@H](C)N[C@@H](CCC)c1ccc(Cl)cc1 162629031 CJJWQIZESXDDML-WFASDCNBSA-N 251.801 4.735 30 10 CJEE Cc1ccc(C(C)C)c(OCc2cc(F)cc(C#N)c2)c1 163703935 CHVCEAUQPLDYJQ-UHFFFAOYSA-N 283.346 4.708 30 10 CJEE C=C(Cl)CN[C@@H](CCC)c1ccc(Cl)cc1 167732643 SCDONRPACLBTPI-ZDUSSCGKSA-N 258.192 4.523 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCC1 189868819 QWBHFYWXBZGRER-HNNXBMFYSA-N 283.415 4.833 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H](C#N)c2ccc(Cl)cc2Cl)C1 212951044 XOQZCKGEOHVILA-RWSFTLGLSA-N 297.229 4.536 30 10 CJEE CCCCCCCCCCCCN1C[C@H](CN)C[C@@H]1C 216152602 NXQPZDMXHJXUII-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=CC[C@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)(C)C 219542403 CLHIOULQUXVOHG-HRCADAONSA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 229756899 XBJOYUYNBCFLOK-SQNIBIBYSA-N 257.421 4.515 30 10 CJEE O=C(C=C1CCCCC1)Cc1sccc1Br 232464309 GQRLIVKSHUYPRS-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CSC1(CNc2ccc(C#N)cc2Cl)CCCCC1 235160739 INQNLBZSRVHHHO-UHFFFAOYSA-N 294.851 4.689 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1F 235231602 BXFJQANUBIEMOC-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](C)C[C@H]1C 251145195 LYEIKQOZWNKWBZ-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1N 252394227 GYQXIPBAPRPKLS-BRWVUGGUSA-N 283.500 4.906 30 10 CJEE N#C[C@]1(Cc2cccc3ccccc23)C[C@H]2CC[C@H]1C2 252830052 XMFOAUZGJCXDIU-UCLAIMLFSA-N 261.368 4.712 30 10 CJEE CC(C)(C#N)c1csc2cc(C(F)(F)F)ccc12 260152802 VNWSUTOAAONAHZ-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE CCCCCCCCC[C@H](N)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300570606 DGXGUWXCJFJMIO-WOYTXXSLSA-N 263.469 4.747 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1c(C#N)cnc2ccccc12 301122593 YUXXYOAUTIJKQH-CQSZACIVSA-N 287.366 4.588 30 10 CJEE CCCCCCCCCC[C@]1(C#N)CCCCN1 310712420 DCSUXIWVWBLEHO-MRXNPFEDSA-N 250.430 4.553 30 10 CJEE CCCC[C@H](C)N(C)CC1(CS)CCCCCC1 311234318 SIRLTJYFOVZICG-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(C(C)C)cc1 312240166 PIHIXHLAZWEUQN-SFHVURJKSA-N 271.448 4.900 30 10 CJEE Cc1cc(Oc2c(N)cccc2Cl)c(C)c(C)c1C#N 312837809 VNACVNSHQPTZDG-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE Cc1ccc(N[C@@H]2CCCC23CCCCC3)c(C#N)c1 313012182 HOJQBCVPPLOAIW-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)s2)C1 317408652 CZIQUSVBCBGRAB-FZMZJTMJSA-N 270.825 4.730 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317787497 YJYJAZLKPKBOPR-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE N#Cc1cc(Cl)cc(OCC/C=C\c2ccccc2)c1 323703326 LFMWTYRWTNSRCL-YWEYNIOJSA-N 283.758 4.694 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C1(O)CC(C)(C)CC(C)(C)C1 385152734 KIIIQEPWIPYXRW-YOEHRIQHSA-N 277.452 4.674 30 10 CJEE Cc1ccc(OCCCCCC#N)c(C(C)(C)C)c1 385355713 GSKGADYZBPTJRL-UHFFFAOYSA-N 259.393 4.755 30 10 CJEE CC(C)(C)C[C@H]1CS/C(=N/CC2CCC(C)(C)CC2)N1 393478671 NDPWKOGUJVWWNG-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)c(F)c1 394952530 IYNPDUWAJSSJBZ-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](C#N)C(C)(C)C 397485628 BGGLYSQNUZHQKP-GXTWGEPZSA-N 278.827 4.519 30 10 CJEE CC[C@H](CC(=O)C=C1CCCCC1)CC(F)(F)F 402373190 VHHXRRDGXGLNOL-LLVKDONJSA-N 262.315 4.815 30 10 CJEE N#Cc1ccc(COc2c(Cl)cccc2Cl)cc1F 404093836 VIYBYPMHDSJSGJ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CCCc1ccccc1NC(=O)CCc1ccc(C)cc1 410350873 VNOLWLNHSPXPGU-UHFFFAOYSA-N 293.410 4.685 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CC1CCCCC1 464649665 NTNZCYYPRBTFBT-NVXWUHKLSA-N 277.452 4.550 30 10 CJEE C=C[C@H](C)N[C@H](C)c1ccc2ccccc2c1OC(F)F 675933542 GJTVFXOFRPEJTH-NWDGAFQWSA-N 291.341 4.666 30 10 CJEE C#CCCCCC[C@@H](NCC)c1csc2c1CCCC2 686687817 YCFNBEYXQNGQQC-QGZVFWFLSA-N 289.488 4.861 30 10 CJEE CC(C)OCCCC1(C=O)CCC(C(C)(C)C)CC1 689479142 SNQYDTKPLAZHHE-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C[C@@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCCC1 691132235 JYMXXRPGGHMVMF-WBVHZDCISA-N 263.425 4.572 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc(C(C)(C)C)cc1 695817305 NRTAOMFHFQCZCG-ZDUSSCGKSA-N 259.393 4.691 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3CCCC[C@H]3C)C[C@@H](C1)C2 697297051 PLFNBNYJEWTOIV-IHAUNJBESA-N 261.453 4.537 30 10 CJEE C=CCCC[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 698997237 PDIGLMXUOSLXCQ-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE C[C@H]1CCCCN(CCCCCCCCCS)C1 703282628 SZTULIGHWJPWDS-INIZCTEOSA-N 271.514 4.769 30 10 CJEE CC(C)(C)[C@@H]1C[C@H]1COCC1(CS)CCCCCC1 703621350 AAKVVLXSOXEDHA-LSDHHAIUSA-N 284.509 4.956 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)Sc1cccc(F)c1 704930356 BAGVDHSCRHUGAJ-UGFHNGPFSA-N 263.381 4.636 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CCC[C@@H](C(F)(F)F)C1 713040562 WDYOMNLDJVDVON-CHWSQXEVSA-N 277.374 4.547 30 10 CJEE C=CC[C@@H](C)n1ccc2c(Br)cccc21 715714241 KCRLLDNQJHLJOO-SNVBAGLBSA-N 264.166 4.541 30 10 CJEE C=CCCC(C)(C)Nc1cc(C)c(N)cc1C(F)(F)F 717638855 ZIQJDCZRRYLMFE-UHFFFAOYSA-N 286.341 4.753 30 10 CJEE CCSc1cccc(N2CC[C@H](C)C[C@@H](C)C2)c1C#N 723837325 GERQHXPLNAXASJ-UONOGXRCSA-N 288.460 4.543 30 10 CJEE C=C1CCC(C[C@H](N)c2c(F)cccc2Cl)CC1 724548542 DBPBLMYSAZVYLO-AWEZNQCLSA-N 267.775 4.615 30 10 CJEE C=C1CCC(CNc2cccc(SCC)c2)CC1 724549778 JNULOOSAKRUCHR-UHFFFAOYSA-N 261.434 4.957 30 10 CJEE C=C1CCC(C[C@]2(CNC)CCC[C@@H](CC)C2)CC1 724559451 MGYCJPXGYIXIJR-AEFFLSMTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](CC)CC[C@H]2C(=O)O)CC1 724598595 IIADBHCDFJUFLI-VNQPRFMTSA-N 264.409 4.650 30 10 CJEE C=C1CCC(CSc2ccc(C(C)=O)cc2)CC1 724609759 ZXVKBZAMTGBTRA-UHFFFAOYSA-N 260.402 4.728 30 10 CJEE C=CC(C)(C)CC(=O)NC(C)(C)c1ccc2ccccc2c1 1131955080 UGOQQBKDQZXTPO-UHFFFAOYSA-N 295.426 4.793 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)C2CCC(C)CC2)C1 1165745314 USBDDHYICHTHEG-FPQWYMTMSA-N 291.479 4.654 30 10 CJEE C=CCCCCCN[C@H]1CC2(CCC2)Oc2ccccc21 1176045092 RAVUECVEPYZTLZ-KRWDZBQOSA-N 285.431 4.769 30 10 CJEE C=CCC1(NC[C@H](OC)c2ccc(Cl)cc2)CCCC1 1196149586 FFJPIVVIGROYMR-INIZCTEOSA-N 293.838 4.506 30 10 CJEE C=CCC1(NCc2cccc(OCC(C)C)c2)CCCC1 1196150496 ZKAASMNJIIVUHP-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)c2ccccc2C)c1 1210299385 IDFYTVLVLFWUCL-OAHLLOKOSA-N 294.398 4.911 30 10 CJEE C=CC[C@H]1N(C(=O)N[C@@H](C)CCC(C)C)CCCC1(C)C 1220659980 OBCDEJMKRKJRRJ-JKSUJKDBSA-N 294.483 4.587 30 10 CJEE CCCCCCCCC[C@H](C)NCC1CC(OC)C1 1258228905 LEFWPOROFOCBKV-GTPINHCMSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H]1N(CCCC(C)(C)C)CCCC1(C)C 1307730227 WDNACKHPMQJWTG-HNNXBMFYSA-N 251.458 4.879 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCOc2cccc3ccccc23)C1 1308206944 CQKFSYWQKGWIOU-AEFFLSMTSA-N 295.426 4.553 30 10 CJEE C=CCCC1(CN[C@H]2CCC[C@@H]2C(C)C)CCCC1 1308858384 VBWPKHWWIJLBQE-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 1436184281 HLWFJQYHTXBZSX-VQIMIIECSA-N 299.458 4.557 30 10 CJEE C=CCC1(C(=O)NCC2(C)CCCCCC2)CCCC1 1458319009 GFPSUTVAGNEFFS-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](Cc1ccccc1)C(C)C 1462575392 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265.363 4.642 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1CC(C(C)(C)C)C1 2259198785 MGJFGXUVDVTWHI-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCc1ccc(C#N)c(SC2CC3(CCC3)C2)c1 2260478014 UAZPBIXZUADQGL-UHFFFAOYSA-N 257.402 4.545 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1scc(C)c1Cl 2261119242 ZJYNKDRHGWXGPU-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(C(F)(F)F)s1 2263304386 FGSIIEAYYFTQCT-JTQLQIEISA-N 277.355 4.903 30 10 CJEE C=CC[C@H]1CCCCN(CC[C@@H]2CCCC23CC3)C1 2266599400 XXVNHABUGVTRMY-IRXDYDNUSA-N 261.453 4.635 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(Cl)cc1Cl 2268750786 PPFVYRVGNVBWDE-HNNXBMFYSA-N 296.241 4.989 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@H]2C[C@@H]3C[C@@H]3C2)C1 2270231467 LGVTWHHZNQCRTD-BKQXGZDCSA-N 277.477 4.873 30 10 CJEE C=CCCCCCCCS[C@H](CCCC)C(=O)OC 2271491183 NEJWYVXTYJUSKQ-OAHLLOKOSA-N 286.481 4.978 30 10 CJEE C=CCCCCCCCS[C@H]1CC2(CC[C@@H]1N)CC2 2271593024 ZHKXOMQEZHUAEZ-HOTGVXAUSA-N 281.509 4.906 30 10 CJEE C=CCCCCCCCSc1cc([C@@H](C)O)ccn1 2271594188 KYRHMZTWHCZXRC-CQSZACIVSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(C(F)(F)F)CCC1 2271837145 OXBXJIMVCVRXMD-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE CC(C)CCC[C@@H](C)CCN(CCC#N)C(C)(C)C 2272261759 VTZKKJSVQNTIDQ-MRXNPFEDSA-N 266.473 4.853 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@]23CCC[C@@H]2CC3)CC1 2273357085 CYNITIOIGLMNJU-RKVPGOIHSA-N 260.421 4.908 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC2(CSC)CC(F)(F)C2)C1 2273939092 CTJGZAFVCIAELF-OLZOCXBDSA-N 290.419 4.550 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(C)c(F)c2F)C1 2274091698 OPBKLAYRJHYDQI-MLGOLLRUSA-N 263.331 4.536 30 10 CJEE O=C(CC#CC1CCCC1)c1ccc2sccc2c1 2274137940 OOADOVDFOUDLLN-UHFFFAOYSA-N 268.381 4.668 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1ccc(SC)s1 2276145424 ORFFCGBEQVYFRF-CYBMUJFWSA-N 299.505 4.623 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H](C)[C@@H](C)C1 2276760817 FIHLCZZBXGWAGC-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](CC)(OCCN)[C@@H]1CC1(C)C 2277221115 VNFKQKDJDYZUMZ-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=C(CC)C[C@H](NCCC)c1nc2ccccc2s1 2277994036 GDRCMAHQSVMEIG-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@H]1CCCC12CC2 2281329253 ZZOSMDGKENPOBG-SJORKVTESA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@H](O)c1nc2ccc(OC)cc2s1 2283161279 MOCPUIGKNAQICE-CQSZACIVSA-N 293.432 4.699 30 10 CJEE CCCNCC1(CC=CC#CC(C)(C)C)CCCCC1 2284077586 RVQWIMJDMJESPW-UHFFFAOYSA-N 275.480 4.932 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCC(F)(F)CC1 2284179681 IIMMPLIQWIUMHK-HUUCEWRRSA-N 284.390 4.559 30 10 CJEE CCCCCCCC[C@@H](O)c1nc(C)cc2occc12 2284206873 YJBQJCITDNHACP-OAHLLOKOSA-N 275.392 4.920 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1COC2(CCC2)C1 2284741040 ZNRKBIKKXFKITH-DLBZAZTESA-N 280.452 4.613 30 10 CJEE CCCCCCCCCCNc1ccc2ccnn2c1 2287083393 OCGPYSQODNBGPG-UHFFFAOYSA-N 273.424 4.887 30 10 CJEE C=CCCCCCCC[S@](=O)[C@@H](C)c1cccc(N)c1 2287178665 QEIYSGLQMBANKQ-YWZLYKJASA-N 293.476 4.605 30 10 CJEE C=C(C)CCCCC1(CNCCOC)CCCCCC1 2287466109 DZMVYGKDUHRYQQ-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCNCc1cccc(OC)c1Cl 2289478147 OOYSTPPRSDXCBB-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)cc1F 2289698083 ONZFJJJIBUQUAY-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE C=C(C(C)(C)C)C1(OCC(=O)O)CCCCCCCC1 2291122505 ZOIMFPNQUTVDRD-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@](C)(C[C@@H](C)CC(C)(C)C)OCCC(=O)O 2291616074 OKHDNRGRNNUJTB-YOEHRIQHSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@@H](C[C@]1(C)CC1(F)F)OCCCN 2293594133 ZGUONLNVGBJRKU-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C1[C@@H](C)[C@@H]1C 2294251684 MNFGOSHQICTOHB-BQFCYCMXSA-N 283.500 4.763 30 10 CJEE Cc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2294299989 HWGSEZSOZPSSRJ-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCC[C@H](C(C)C)C1 2294419284 JJIIAKNJUHQPHN-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)C(CC)(CC)CC 2295210007 VGMHQXPPTCTAQS-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H]1CCC[C@H]1C 2295604406 WTKYZAGQMIZQSZ-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1c(Cl)cnn1C 2295674271 PNZJGQIHRMSVED-CQSZACIVSA-N 299.890 4.692 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)C1CC(C)C1 2295685597 YXEZLDYTGARKLH-HIEASXQVSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)S[C@@H](CC)[C@@H](CCC)NCCC 2298817884 WPWLWCHYAMLRHA-ZNMIVQPWSA-N 257.487 4.631 30 10 CJEE O=C(C=Cc1cncs1)c1ccc(-c2cccs2)cc1 2301069727 BJLGKHFJZQHEPD-UHFFFAOYSA-N 297.404 4.768 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC[C@H](NCCC)C1 2313523966 GOZFGCWMPONOBV-GOEBONIOSA-N 267.482 4.551 30 10 CJEE CS[C@H]1C[C@@H](C[C@@]2(C=O)CCCC(C)(C)CC2)C1 2314262774 NMSHMPJYQAYQGU-IJEWVQPXSA-N 268.466 4.694 30 10 CJEE CCCCCCCCCCC[C@H](O)C#CC1CC1 2315776180 LBZABZHVIBWJHA-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2 2316735939 GOPZPRXDXJZORY-MWDXBVQZSA-N 250.426 4.700 30 10 CJEE CCC[C@H](CS)COCc1ccc(F)c(C)c1Cl 2317214845 SDMXXRXOZPRXJK-NSHDSACASA-N 290.831 4.650 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@]1(C=O)CCCCC12CCC2 2317985758 ISXWCFKLTZPKTQ-ZMSDIMECSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCC(C)=C(C)C1 2320269530 BIQDGXAHIJYDMZ-INIZCTEOSA-N 250.382 4.714 30 10 CJEE C=CCC(C)(C)[C@@H](N)CC1CCC(CCC)CC1 2321109285 XTTFSIXBVSULLZ-GPANFISMSA-N 251.458 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc2ccccc2s1 2321138095 OXYMSLYJCVOUKG-HOTGVXAUSA-N 259.418 4.894 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(F)c(C)cc1Cl 2321219526 JKZYURFRIVAJND-GJZGRUSLSA-N 270.775 4.813 30 10 CJEE CC1CCC(COCC2(CS)CC(C)(C)C2)CC1 2321757831 YQWIRWDSDSGTAZ-UHFFFAOYSA-N 270.482 4.566 30 10 CJEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(F)cc1 2322738161 AOXMXJNWWCJMGB-UHFFFAOYSA-N 296.341 4.677 30 10 CJEE CCCCCCC[C@@](C)(SCC1CCC1)C(=O)O 2327041932 CIDZVWQTEGCPNK-OAHLLOKOSA-N 272.454 4.724 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)N[C@H](C#N)C(C)C)c1Cl 2327859829 KIYVQZHSDDYHNS-ZWNOBZJWSA-N 285.218 4.501 30 10 CJEE CC(C)C[C@H](CS)COC[C@H]1CC[C@H]1C(C)(C)C 2328528450 PMSAYANVMJVWDQ-RRFJBIMHSA-N 272.498 4.667 30 10 CJEE C=CC[C@@H](C)OC(=O)c1oc2ccc(Cl)cc2c1C 2335111385 WHJLUAKCOJZGFG-SECBINFHSA-N 278.735 4.516 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)c(C)c1 2335242595 RRWJBBSVYCUOHX-AWEZNQCLSA-N 277.477 4.940 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CC[C@@H]2NC 2335242944 UZAYFYSXVJEUSO-KRWDZBQOSA-N 273.445 4.506 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335673472 ZKJCGEWRMMJMGC-IINYFYTJSA-N 284.375 4.517 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cnc(C(C)(F)F)s1 2335674001 NAYWLXHWVNOKNN-QMTHXVAHSA-N 284.375 4.517 30 10 CJEE CCCCCCCCC[C@@H](C#CC1(SC)CC1)NC 2336182456 KENXZMYQGSZWCB-INIZCTEOSA-N 281.509 4.614 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C(C)(C)C)cc1 2338739112 SELBOEYABNEWIU-KRWDZBQOSA-N 257.421 4.752 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338925656 VNRMCSLDLZSDAF-AESZEHBQSA-N 260.421 4.908 30 10 CJEE C=C([C@H](NC)c1cccc(C2CCC2)c1)[Si](C)(C)C 2343775710 JICRJKHPOBNDTB-KRWDZBQOSA-N 273.496 4.648 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)c(Cl)cn1 2344373319 ZJNOXGIGDYHTMI-CVEARBPZSA-N 280.843 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc2ccccc2o1 2344376966 BWVXKLGQSZBLHV-IRXDYDNUSA-N 257.377 4.686 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(CC#N)cc1)C2 2354155137 IDDVWVOHODEZGA-NJAFHUGGSA-N 268.404 4.523 30 10 CJEE C=CCC(CC=C)Sc1ncc(CNCCC)cc1C 2360370503 FJUXHFSEFYPMFG-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE Clc1cc(Cl)c(NN=C2CCCC2)c(Cl)c1 5444685 QLUYJVCQBJTKNB-UHFFFAOYSA-N 277.582 4.989 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1cccc(C)c1C 57686968 KLZPWNCESNZFOC-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE Cc1cc(OCC[C@@](C)(C#N)c2ccccc2)ccc1Cl 57687733 GZNYGWDFKFJVOC-SFHVURJKSA-N 299.801 4.899 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1cccc(O)c1 59487409 HLHJVMZXEQFZLC-GJZGRUSLSA-N 263.425 4.792 30 10 CJEE Cc1ccc(O)c(/N=C/c2cccc(Cl)c2Cl)c1 59508420 PMASTMJTWZCZNF-CAOOACKPSA-N 280.154 4.758 30 10 CJEE CCCn1c(Cl)c(C#N)c2cc(C(C)C)ccc21 71465194 BXZNLRABRNYAJX-UHFFFAOYSA-N 260.768 4.700 30 10 CJEE COc1ccc(Cl)cc1-c1cc(CC#N)c(C2CC2)o1 77084025 QYSIRUPGHOXGKT-UHFFFAOYSA-N 287.746 4.552 30 10 CJEE CC[C@]1(C)CS/C(=N\c2ccc(-c3ccccc3)cc2)N1 80884255 FWQVDPMDLMALMT-GOSISDBHSA-N 296.439 4.846 30 10 CJEE CC(C)c1ccc(CC2(C#N)Cc3ccccc3C2)cc1 87997918 AMQGYVKSPYLUKV-UHFFFAOYSA-N 275.395 4.661 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](CC)C(=O)O 88230977 IILVAGYPLJKNMZ-MRXNPFEDSA-N 285.472 4.702 30 10 CJEE C=C(C)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 92129482 KFPASBZMBQYGBR-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE C[C@H](CCS)CCSc1nc2ccccc2s1 94588975 JNVXRSXLYBRARE-SNVBAGLBSA-N 283.487 4.735 30 10 CJEE C[C@H]1CC[C@@H](C)N(CCCCCCCCCS)C1 97799484 UJGSSFGRGKCTDW-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CCCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 104001538 KOVVSIQYSWEXPO-SNVBAGLBSA-N 270.298 4.568 30 10 CJEE CCCOc1ccc(N/C(C)=C\C(=O)c2ccccc2)cc1 104712994 YFOXVRKITHQDNQ-PFONDFGASA-N 295.382 4.674 30 10 CJEE CCCCCCCOc1ccc([C@H](N)CCC)cc1 106149988 JYSRMHPOBQGMJZ-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)cc(Cl)c1OCC 107656058 QRKGUDAUKTVIMP-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CCCCCCCC[C@@H](CNC)Cc1cccc(F)c1 110189337 LKNUKQBWORPMAY-QGZVFWFLSA-N 279.443 4.954 30 10 CJEE C#CCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 122949130 CZAGBVIKAZERQI-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CCCCCCCCC[C@H](NC)c1cncc(F)c1 124110161 WIKLGMPZWICBIQ-INIZCTEOSA-N 266.404 4.622 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C(C)C)cc1 125331774 IXYZEVKUODRPGR-KRWDZBQOSA-N 262.441 4.675 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)Cc1ccc(O)cc1 126684992 IXWQDMUSUDEMLP-AWEZNQCLSA-N 299.439 4.713 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCOC2(CCC2)C1 130757571 NIBFHEHJWGPHAL-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCSc1cccc(O[C@@H]2CCCC[C@H]2C)c1C#N 136699995 ZUSIBDBWTALGIR-TZMCWYRMSA-N 275.417 4.628 30 10 CJEE CCSc1cccc(Oc2ccc(F)cc2F)c1C#N 136702612 VJNAXGZMBHSPKT-UHFFFAOYSA-N 291.322 4.741 30 10 CJEE CCCCCCCCC[C@H](NC)c1cccnc1C 139398345 HWGVLWLRIIWGEX-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(C)nn1C 139419386 STSFUXKDVJTOET-INIZCTEOSA-N 279.472 4.520 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ccnn1C 143410185 UNCRIBSNPUYBBY-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H](CN)CCCC 150240879 OWJJSCWUIWBELV-KRWDZBQOSA-N 298.515 4.541 30 10 CJEE CCCCCCC[C@H](O)c1csc(Br)c1 159079911 HBFHIIYTXCNUMH-NSHDSACASA-N 291.254 4.905 30 10 CJEE CCCCCCCCN[C@H](CC#N)c1ccccc1 160917478 PINVYSZHPFOQGQ-QGZVFWFLSA-N 258.409 4.591 30 10 CJEE CC[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 164097635 BZOPGTKZXMZSPC-QMTHXVAHSA-N 282.309 4.568 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(F)c(Cl)c2)CC1 164698078 LGYOSUJXRXXHKV-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 167760914 QMECHDNHBHGPJW-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C#Cc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1 216992978 WIHJVHWVKSGOJU-NHYWBVRUSA-N 285.437 4.767 30 10 CJEE CCCC[C@@H](CCC)Nc1ccc(C#N)c(F)c1F 226031473 ITKGONZODMYJCJ-GFCCVEGCSA-N 266.335 4.607 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC[C@H](C)CCS 227281383 KUAHPOIRGBGFQS-CAOSSQGBSA-N 272.498 4.810 30 10 CJEE C#CCCCCN[C@@H](c1ccccc1)C1CCCCC1 229642448 NCYBPZJLJBFHCS-IBGZPJMESA-N 269.432 4.701 30 10 CJEE CC(C)(C#N)c1nc(-c2cccc(C(F)(F)F)c2)cs1 231791113 XGLXTDWGYGDGFJ-UHFFFAOYSA-N 296.317 4.630 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1[C@H]2c3ccccc3CC[C@H]21 232202757 HIVWRZPSXLVURJ-FYQPLNBISA-N 283.459 4.687 30 10 CJEE CCCC[C@@H](CC)Cn1ccc2c(C#N)cccc21 233017446 JHJHEFUWXNWUCI-CQSZACIVSA-N 254.377 4.729 30 10 CJEE CCSc1cccc(SC[C@@H](C)CC)c1C#N 233817152 LRXWAZRUWSPJFG-NSHDSACASA-N 265.447 4.808 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CCc2ccccc21 236400921 ZFNOFOIOBFYDTF-KRWDZBQOSA-N 254.373 4.566 30 10 CJEE Cc1cc(C)c(C=Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 254468139 WGHQYLGQGPWPQO-UHFFFAOYSA-N 282.343 4.579 30 10 CJEE CC(C)c1ccc([C@@](C)(C#N)Cc2ccccc2)cc1 259661766 TXXGXEZZAKEZRP-LJQANCHMSA-N 263.384 4.834 30 10 CJEE C[C@@H](C#N)c1ccccc1-c1nc2ccccc2s1 260048145 CSWYZYKNNCGYOJ-NSHDSACASA-N 264.353 4.590 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(C)cc(C)n2)C1 299947767 BAEYESMHOLYJFN-OWCLPIDISA-N 288.460 4.899 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCO[C@H]1CC 300608566 PAIYGFFUJUYFKD-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE N#Cc1ccc(N[C@@H]2/C=C/CCCCC2)c(Cl)c1 302345858 FLHLRFIJOBUEQR-DIECRNLCSA-N 260.768 4.512 30 10 CJEE CCCCCCCCCNCC[C@@H](CC)CCC(=O)O 312708522 OWVLHVNTVQXKLZ-INIZCTEOSA-N 285.472 4.608 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2csc3ccccc23)C1 316687918 YGNARKFGZAPFHU-GUYCJALGSA-N 272.413 4.839 30 10 CJEE C=C[C@](C)(CNC(C)C)CC1CCC(C)(C)CC1 385236388 JPTYTWZVNVOLED-KRWDZBQOSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](CCCCCCCCC)CNCCOC 386719075 ZMACTFJJQFQBKP-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CCC[C@@H](C)C1 386973032 LVEXTPBZUFVUCW-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE C=C(COCCC)[C@H](NCCC)C1CCC(CC)CC1 387584007 QPYFQRIGHOMOSK-ABHNRTSZSA-N 281.484 4.554 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cc(F)ccc1Cl 395884076 GJSIEGJUGCRHOF-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE N#C[C@@H](CNc1ccc2sccc2c1)C1CCCC1 397095026 AVGSJBDKAHZGTE-AWEZNQCLSA-N 270.401 4.643 30 10 CJEE C=C(C)C[C@@H](NCCC)c1csc2c1CCCC2 399906256 VGJJOZYYJPXHBR-OAHLLOKOSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCC[C@@H](CC1(C)CC1)NN 401313291 YJXPYJKLPCUPFL-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE C=CCCCCCN(C)Cc1ccccc1Br 404178891 INOPQJGPGQASDA-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE CCCCCCCCCC[C@]1(CN)C[C@@H](C)O[C@H]1C 686459719 LUNRNKGDHXUXQF-IXDOHACOSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H](C)CC(F)F 687860073 UCSDCNRFYKAPHX-CHWSQXEVSA-N 250.373 4.779 30 10 CJEE CCCCCCCC[C@H](Cc1nc(C)sc1C)NC 691380649 NLXORDMHWCJJGV-OAHLLOKOSA-N 282.497 4.641 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C1CCC1 692701598 JKSKLJIHEAEKOX-MWLCHTKSSA-N 296.197 4.606 30 10 CJEE N#Cc1c(Cl)cccc1NCCCC1CCCCC1 694034129 SQZZIWPJZZKCQA-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE CC(F)(F)C(C)(C)C[C@@]1(C#N)CCc2ccccc2C1 697031279 LXVDVBGSKOHCAE-QGZVFWFLSA-N 277.358 4.757 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@H](CC#N)c2ccccc2)CC1 697854704 HCYPUBKXFBXGBG-BPQIPLTHSA-N 270.420 4.542 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCc2ccccc2O1 700696651 QAMZCSYGICBAQX-GOSISDBHSA-N 274.404 4.700 30 10 CJEE CCCCCCCNc1nc2cc(F)ccc2s1 703728865 VROMGFZPIHBDGX-UHFFFAOYSA-N 266.385 4.818 30 10 CJEE C=CC(C)(C)COC[C@H](NCCC)c1ccc(Cl)cc1 709526679 AQZCDECXFRAROX-INIZCTEOSA-N 295.854 4.610 30 10 CJEE c1cc(N=C2NC3(CCCCCCC3)CS2)cs1 713262812 KOWZOSSNBZZJCD-UHFFFAOYSA-N 280.462 4.555 30 10 CJEE CCCCCCCC[C@H](N)CC[C@H]1C[C@@H]1C1CC1 714780552 NNEUCOMGFYSCOB-YESZJQIVSA-N 251.458 4.891 30 10 CJEE C=C1CCC(CNCc2ccc3ccccc3c2)CC1 724447300 UIYWDXCVZQHINC-UHFFFAOYSA-N 265.400 4.676 30 10 CJEE CCCCCCCC[C@H](CC1C[C@@H](C)O[C@H](C)C1)NC 724529637 UDHVBEGHQSYIRF-JFIYKMOQSA-N 283.500 4.919 30 10 CJEE N#CCc1c(F)ccc2c(SC(F)(F)F)csc12 725305110 NQPSQQKXPSOVCR-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=C(C)CON=C(CCC(F)(F)F)CCC(F)(F)F 853368974 FHZMTJRDTHEXGI-UHFFFAOYSA-N 291.235 4.620 30 10 CJEE C=CCC[C@H](N[C@@H]1CCCc2oc(C)nc21)c1ccccc1 925579251 KPBLLTHJPZWXJO-DLBZAZTESA-N 296.414 4.658 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@@H](CC)CCCC 1124880954 SVUFOZMAUBFLGK-KRWDZBQOSA-N 287.447 4.808 30 10 CJEE C=CCN(Cc1ccccc1)Cc1csc(Cl)c1 1142771389 RSPWCFMHWYKZBX-UHFFFAOYSA-N 277.820 4.590 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)CC1 1156353158 QETCETAVKRTXIX-VQIMIIECSA-N 297.442 4.528 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cc(C)ccc1OC(F)F 1176771957 ZGUZKLIMXVOMJW-OAHLLOKOSA-N 295.373 4.527 30 10 CJEE C=C(Cl)CNCc1ccc(-c2ccccc2)c(Cl)c1 1177904538 JYVCWHMRJBCTHF-UHFFFAOYSA-N 292.209 4.849 30 10 CJEE C=CCC[C@@H](CC)NCc1cn(C(F)F)c2ccccc12 1183247457 CQZBADWEAUTPOI-CQSZACIVSA-N 292.373 4.871 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(N(CC)CC)c(F)c1 1201656253 SESANLPCTXGOBH-HNNXBMFYSA-N 292.442 4.506 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1206637017 UOMVPFJTXRFKFE-LTIDMASMSA-N 293.495 4.693 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCSC(C)(C)C1 1207675700 QTQQVWOOASIGBC-HUUCEWRRSA-N 271.514 4.999 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 1210299451 KDYWKNKXJBEDBY-FUHWJXTLSA-N 298.430 4.668 30 10 CJEE N#Cc1cc(Cl)cc(-c2ccccc2OC(F)(F)F)c1 1242567946 UPFCLYRXFKRCHG-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 1295775408 TXSKDFNXWHDNCN-SFHVURJKSA-N 285.431 4.636 30 10 CJEE C=CCCC[C@H](C)Nc1nc2cc(C)ccc2s1 1307078455 DQEPFKJIYNAFPO-LBPRGKRZSA-N 260.406 4.761 30 10 CJEE C=C(CC)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 1307279052 HBAONDZOEXUTNE-UHFFFAOYSA-N 297.354 4.531 30 10 CJEE C=CCN(Cc1cc(Cl)ccc1Cl)C(C)(C)C 1307938807 OBWPACTXCQPZED-UHFFFAOYSA-N 272.219 4.780 30 10 CJEE CCCCCCCNCc1cc2ccccc2s1 1308184855 SDSHRQDHKBVQIJ-UHFFFAOYSA-N 261.434 4.961 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cc(Cl)ccc1O 1308844943 CQUIVBHIIUAIGR-CYBMUJFWSA-N 281.827 4.660 30 10 CJEE C=CC1(CC(=O)NCC2CCCCCCC2)CCCCC1 1351066240 XLDBAOVSOBYUFT-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1cccc(Cl)c1)C(C)C 1354235119 SMVZUCUHIVCGAV-AWEZNQCLSA-N 293.838 4.679 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)ccc1SCC 1360182034 AQJPZNXVTUCNER-UHFFFAOYSA-N 297.851 4.993 30 10 CJEE C=C1CCC(C(=O)N[C@@H](C)c2csc3ccccc23)CC1 1439963951 KUXJKXICTGKYMO-ZDUSSCGKSA-N 299.439 4.825 30 10 CJEE C=C(CC)CSc1nnc(Nc2ccc(C)cc2)s1 1458784507 ZDGPGVVAYRAGGB-UHFFFAOYSA-N 291.445 4.648 30 10 CJEE C=CCCCCCN(C)Cc1cc(C(C)C)ccc1OC 1459534663 AUOXPSHEJOHIBB-UHFFFAOYSA-N 289.463 4.997 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H](C)c1cccc(F)c1 1460673526 MCKCQNPBTSNGLF-HNNXBMFYSA-N 291.410 4.572 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1CCc1ccccc1 1473111518 HKAKNOPEFZZFSH-HXUWFJFHSA-N 283.459 4.667 30 10 CJEE C=CC1(CC(=O)Oc2cc(F)ccc2Cl)CCCCC1 1518540120 YBHXIUKWQNBKRJ-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=CC1(CC(=O)Nc2cccc(F)c2Cl)CCCCC1 1525314971 SDHOPPRGMGNEHW-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCN(CCc1ccccc1)C(=O)CC1CCCCCC1 1536323491 FIUIDAGNARKLSL-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=CCCC[C@H](NC(=O)c1ccsc1)c1ccccc1 1537027150 SKYFEMLTKQYKFG-INIZCTEOSA-N 285.412 4.576 30 10 CJEE C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 1538737856 MAXRVEIGLQISHI-HDMKZQKVSA-N 279.468 4.557 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(CCC)cc2)c(Cl)c1 1538770533 VXTMASMYZRMVPF-UHFFFAOYSA-N 297.785 4.526 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc([C@@H](C)CC)cc1 1539486192 ZZTQGEKDUNJYMU-HNNXBMFYSA-N 273.420 4.628 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CCCC12CC2)c1ccccc1 1587719986 ABKKKOWZVFYHEX-ZWKOTPCHSA-N 297.442 4.575 30 10 CJEE C=CCC1(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)CCC1 1596608350 MEUOJLNWMTXSPF-ROUUACIJSA-N 297.442 4.734 30 10 CJEE C=CCCCC(=O)Nc1cccc(Oc2ccccc2F)c1 1597962708 MGAHJAHSUNHJTK-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE CCc1ccc(Oc2ccc(OC[C@H]3OC3(C)C)cc2)cc1 1615949142 UHEWGDHVWAZESM-GOSISDBHSA-N 298.382 4.598 30 10 CJEE C=CCOc1ccc(CN(CC(C)C)C(C)(C)C)cc1 1616216307 UOYWAJGIRNFKTL-UHFFFAOYSA-N 275.436 4.508 30 10 CJEE C#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCCCCC)cc1 1621345556 XBAILHHLQTZANL-VQTJNVASSA-N 283.459 4.897 30 10 CJEE C#Cc1ccc(NC2CC(c3cccc(F)c3)C2)c(Cl)c1 1621547977 PAGJWJORGHEKTE-UHFFFAOYSA-N 299.776 4.819 30 10 CJEE C=CCCCCCCNc1ncnc2scc(C)c12 1639891118 GVBFRAPBAIQKMN-UHFFFAOYSA-N 275.421 4.548 30 10 CJEE C=CCCCCSc1ccc(Br)cc1 1640720714 LEBBPWQXYTVMJY-UHFFFAOYSA-N 271.223 4.898 30 10 CJEE C=CCCCN(C)c1ccccc1-c1ccccc1 1644811273 RJOKJTWRSYASHL-UHFFFAOYSA-N 251.373 4.756 30 10 CJEE C=CCCCCN(C)[C@H](C)c1ccccc1Br 1645004268 VCWKPKZACGAMLF-CYBMUJFWSA-N 296.252 4.798 30 10 CJEE C=CCCCCCSc1nc2ccc(F)cc2o1 1652217401 YQJVZQDRFLBUQJ-UHFFFAOYSA-N 265.353 4.805 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2ccc(Cl)cc2Cl)C1 1654838346 VIZZKDPWUNQIQF-QWHCGFSZSA-N 296.241 4.790 30 10 CJEE C=CCCCCN1CC=C(c2ccc(CC)cc2)CC1 1658049329 PXOJEUDRVJIQTD-UHFFFAOYSA-N 269.432 4.694 30 10 CJEE C=C(C)c1cccc(N[C@H](C)CCc2ccco2)c1 1659048599 WQIUFYIUTNAPPK-CQSZACIVSA-N 255.361 4.746 30 10 CJEE C=C(C)CCN[C@H]1CCCC[C@H]1c1ccccc1Cl 1659253901 LGWKOSXZXPZKOA-RDJZCZTQSA-N 277.839 4.922 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CCC2(CCC2)CC1 1659641731 IEGRCPXKTIVZDP-RDJZCZTQSA-N 261.453 4.824 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 1660674455 OLHKPRYTPOOQKV-WOJBJXKFSA-N 283.459 4.967 30 10 CJEE Cc1cc(CNc2ccccc2SC(C)C)ccc1C#N 1661750180 GLEUOKDMJSYVEZ-UHFFFAOYSA-N 296.439 4.979 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)Cc1ccco1 1664040711 RMPWXEPBIPQWIV-UHFFFAOYSA-N 295.426 4.866 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C2CC2)c(C)c1 1670338780 FSCDPNSANAMQBO-AWEZNQCLSA-N 286.419 4.739 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(Cl)c1F 1672610304 LWBRYPWMKSNGAG-UHFFFAOYSA-N 298.789 4.737 30 10 CJEE CCCCCCCC[C@@H](N)[C@@](O)(CC)CCCCC 1879217578 FGBUMULYTDTDHV-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCO[C@H]1C)NC 1885726461 KRDRALQWSWEOOL-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@]2(O)CCc3cc(Cl)ccc32)CC1 1886400120 APIYEUCELFJSON-QGZVFWFLSA-N 276.807 4.610 30 10 CJEE CCCCCCCCN(C)Cc1nocc1C(C)C 1887060563 FOQRUJLYTYWUCS-UHFFFAOYSA-N 266.429 4.590 30 10 CJEE C#Cc1ccccc1CNc1ccc(Cl)c(Cl)c1F 1893158983 JNBQVTGXIJSSOO-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE CCCCCC[C@@H](C)N=C1N[C@@H](CCC)CCS1 1911817561 HDUYGPKRSBKFCQ-KGLIPLIRSA-N 270.486 4.597 30 10 CJEE C=C[C@H]1CCCCN1c1ccc([C@@H](C)NCC)cc1Cl 1916782374 CLEONVOIEVEZHJ-HIFRSBDPSA-N 292.854 4.555 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1cccc(F)c1F 1919913416 OJCWUYQZOVJWLW-MRXNPFEDSA-N 270.363 4.619 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)c1sccc1C1CC1 1920353855 YWKYTFPMNZZKRO-SJORKVTESA-N 295.492 4.737 30 10 CJEE C=C([C@H](NCC)c1c(F)cccc1Cl)[Si](C)(C)C 1922864120 WUODTRGHAYFHOE-AWEZNQCLSA-N 285.866 4.563 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](C)C1CCCC1 1924116652 RMNXEAUACSEIMD-NVXWUHKLSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)CSCCC 1941145681 BLNVIFSQKHQWAR-CABCVRRESA-N 259.503 4.857 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1ccc(Br)cc1 1944475386 KZVFZXPMHBNALF-OAHLLOKOSA-N 292.220 4.712 30 10 CJEE CCN[C@@H](CC#CC1CC1)c1scc(Cl)c1Cl 1947162162 YXWOPLQPXYIBSA-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=CCCCCC[C@H](NC)c1cscc1CC 1948011521 LZEHXVDUAFXOCD-HNNXBMFYSA-N 251.439 4.708 30 10 CJEE C=C1CC(C#N)(Cc2cc(Cl)cc(Br)c2)C1 1979507643 KOKAQYLSMIYGKR-UHFFFAOYSA-N 296.595 4.505 30 10 CJEE O=C(C=C1CCC1)c1c(Cl)ccc(Cl)c1Cl 1993141096 RYJVCBFGLXLAGV-UHFFFAOYSA-N 275.562 4.940 30 10 CJEE CCCCCCC[C@@](C)(O)CC[C@@H](C)C(F)F 1996072215 KVGXPTZVMIRQTE-TZMCWYRMSA-N 250.373 4.779 30 10 CJEE C=CC1(C[C@@H](O)c2ccc(Cl)cc2Cl)CCC1 2002626793 BQZZNPJEWIKXPF-CYBMUJFWSA-N 271.187 4.773 30 10 CJEE C=CC[C@@H](C)C[C@H](NCC)c1ccc(Cl)cc1 2003694240 DKGNRZMLZLXMDS-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE CC#CCCCCNc1ccc(CC)cc1Br 2019500897 OYQPCCBGWQTNDE-UHFFFAOYSA-N 294.236 4.617 30 10 CJEE C=C(Cl)C(=O)CC[C@@H]1C[C@@H]1C1CCCCCC1 2022555216 VNYNBQSNIVJHAP-ZIAGYGMSSA-N 254.801 4.695 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(-c2cccs2)s1 2025484481 OWRPVGGJJSDHJK-HZMBPMFUSA-N 264.415 4.722 30 10 CJEE C=CCCCCCCCC[C@@](C)(N)CSCC 2026313435 NIMNLYOZIWWENF-OAHLLOKOSA-N 257.487 4.764 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](CC)C(C)C 2028253101 TXUBOGKQDMWRQB-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE CCCCCCCCN[C@H]1C(F)(F)C12CCCC2 2036257021 MCMLWQFBKSXVQR-CYBMUJFWSA-N 259.384 4.514 30 10 CJEE 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30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H]1CCCC12CCC2 2116866344 CGAPTNFZCFTRBI-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@H]1CCCNC1 2119687202 IICAZNBGNDCADY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CC(C)(C)C1CC(CC2(C=O)CCC3(CC2)CC3)C1 2120065012 MSWZEZSXJRYUTN-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)C1(C)CCC(C)(C)CC1 2120099523 AULQBTNRRPUBHP-HNNXBMFYSA-N 263.469 4.621 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2sncc2c1 2120656948 LGFARXPSMZRGQP-UHFFFAOYSA-N 271.385 4.760 30 10 CJEE C[C@H](C[C@](C)(C#N)Nc1ccc(Cl)cc1)C(F)(F)F 2121461102 RCUHPQDRHROEII-BXKDBHETSA-N 290.716 4.623 30 10 CJEE CCCCCCCC(=O)c1c(F)ccc2c1CCC2 2121566771 WGZIUIGTLXFCBX-UHFFFAOYSA-N 262.368 4.858 30 10 CJEE C=CC1(Nc2ccc(C(C)(C)C)cn2)CCCCC1 2121648238 CXCLQKRGAJCQBB-UHFFFAOYSA-N 258.409 4.680 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1ccccc1-c1ccccc1 2122684442 JEVPTGODAOZSBW-RDTXWAMCSA-N 251.373 4.566 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C2C3(CC3)C23CC3)CC1 2125183191 CNZHSBMAMHFUQQ-CYBMUJFWSA-N 258.405 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4.519 30 10 CJEE CC(C)(C)NC[C@@]1(CC#CC2CCCC2)CCC1(C)C 2289901013 KNLDCZKCBRSFJS-LJQANCHMSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@H](NC)C1CC(CC(C)(C)C)C1 2289971020 BJORLFNIHWZLLY-VJFUWPCTSA-N 271.448 4.750 30 10 CJEE CC(C)(C)C#CC=CCN[C@H]1CC(C)(C)CCC1(C)C 2290322962 UFNWGWRLBMUPMP-INIZCTEOSA-N 275.480 4.787 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)C=CCC(C)(C)C1 2290875670 AJGTXYDUMLGWBI-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H]1C=CCCC1 2290875926 JWYLGBYJVOIIDI-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)[C@@H](C)C(C)C 2292078579 XTFUPRSFYIYWIG-RDJZCZTQSA-N 286.456 4.889 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)c1scc(C)c1C 2292419711 WMMRJDCGVMXEQH-CQSZACIVSA-N 296.432 4.644 30 10 CJEE CC#CCCC[C@](C)(CCCCCCCC)OCCN 2292864664 MTYVCRIKZOSQFP-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C1CCC(C[C@H](CC(CC)CC)OCCCN)CC1 2292904768 ARQYSVNYQNRAMV-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(CO)Nc1ccccc1 2295531112 IBZDHENPARWLOY-GOSISDBHSA-N 277.452 4.990 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cncn1CC 2295677791 DSHQSVWYOSYZRL-INIZCTEOSA-N 279.472 4.522 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2nc(C(C)(F)F)cs2)CC1 2296058086 AGIQQGQMFGCHAS-JTQLQIEISA-N 299.386 4.820 30 10 CJEE CCOc1ccccc1C=C1CC[C@@H](C2CCCC2)C1=O 2297334229 RPNARAYNNNPCBU-KRWDZBQOSA-N 284.399 4.638 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)sc1C 2304040320 FELHJYGLAKPSDQ-ZDUSSCGKSA-N 271.857 4.963 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1sc(C)c(C)c1C 2304115174 LMDMDIMVQRVNTD-LSDHHAIUSA-N 252.423 4.699 30 10 CJEE CCCCCCCC[C@](C)(N)[C@H]1CC[C@@H]2C[C@@H]2C1 2312621042 NGONZGJMBCGYHA-NCOADZHNSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1C[C@@H]2CC[C@H]1C2 2312904547 COSQPFLTZSSFJH-LTIDMASMSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)C1(C)CCCC1 2313531556 LAMKVYILRZPWMJ-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1csc2ccccc12 2316708463 BOTPYALXYZZXPH-MRXNPFEDSA-N 258.386 4.703 30 10 CJEE CCCCCCCC[C@@](C)(O)C#C[C@H]1CC1(C)C 2317372827 KMAPXRQZHTZNPM-DOTOQJQBSA-N 250.426 4.538 30 10 CJEE C=C(C)C[C@@H](CC1CCC(CC)CC1)NCCC 2319292190 BVCNBNZDJTWIAT-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(C)c(Cl)cc1F 2321179681 LKWUQOBDQJQBTH-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)c1cccc(Cl)c1 2321754760 IMSWZJBZEZUQIF-UHFFFAOYSA-N 283.868 4.512 30 10 CJEE Cc1ccc(NN=Cc2c(C)[nH]c3ccccc23)cc1Cl 2322974715 WDCLKZZOHSQPPE-UHFFFAOYSA-N 297.789 4.884 30 10 CJEE CCCCN(C[C@](C)(CS)C(C)(C)C)C1CCC1 2327093054 OTABRZTYTWIRTL-MRXNPFEDSA-N 271.514 4.623 30 10 CJEE C#CCCCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2327868114 ARAHKQRGSADXID-CQSZACIVSA-N 284.230 4.756 30 10 CJEE CC(C)C[C@H](CS)COCC[C@H]1CCCC12CC2 2328525508 JXGNGFJVKJLNPV-LSDHHAIUSA-N 270.482 4.566 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2329178526 IPTZWZLDDMLDGX-YJNKXOJESA-N 273.411 4.616 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330286546 CTXYYBSPADHBTM-ATIWLJMLSA-N 263.469 4.761 30 10 CJEE C=CC1(C[C@@H](C[C@H]2CCC[C@@H]3C[C@@H]32)NCC)CCC1 2330815147 ZXXFOBXSFJHSHG-QBPKDAKJSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1CC[C@H]1OC 2333741676 FFKWQBCUGDGVMZ-GVDBMIGSSA-N 269.473 4.660 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccccc1CC 2335198431 VGHNFFBWTALLPQ-PBHICJAKSA-N 277.477 4.597 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1cccc2ccccc12 2335207375 RXBRTMZWQQIVLW-CXAGYDPISA-N 271.429 4.537 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1ccc2ccccc2c1 2337112685 FETWSSVQEZLRMP-MAUKXSAKSA-N 251.373 4.997 30 10 CJEE C=CCCCCCCC[C@@](O)(CC)[C@@H]1CCCCO1 2337288379 WIHKRSCLUMKBOD-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCC(C)(C)NCc1cc(F)ccc1C(F)F 2338023444 HGAXFGYWVJTPOD-UHFFFAOYSA-N 271.326 4.598 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H](C(C)(C)C)C1 2338807752 KOWXADPHQOSRGO-SJORKVTESA-N 263.469 4.765 30 10 CJEE C=CCC(C)(C)[C@@H](CC#CC1CCCC1)NCCC 2344399135 ZUCXQUYPSRTNRE-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE CC[C@@H](CN(C)C[C@@](C)(CS)C(C)(C)C)C(C)(F)F 2352094232 CTYGEKVRVCGFNA-JSGCOSHPSA-N 295.483 4.582 30 10 CJEE C#CCCCCOCC1CCC(CC(F)(F)F)CC1 2353193493 QPBRZZXBNVKOEN-UHFFFAOYSA-N 276.342 4.565 30 10 CJEE CSc1cc(NCc2csc(C)c2C)ccc1C#N 2353826861 IKCPZFMXAYNYOT-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE CSc1cc(NCc2cccc(Cl)c2)ccc1C#N 2353829924 HDVZCTBCHQVXQC-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2357492613 XEBCWXXQDUIHCG-NCXUSEDFSA-N 269.432 4.504 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)[C@@H]1C[C@H]1CC 2357641232 BUXIIEFOJHKBFX-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1 2357674020 HNWPDDKACROPKP-IPMKNSEASA-N 269.432 4.504 30 10 CJEE COc1c(C)cc(C(=O)C2=CCC(C)(C)CC2)cc1Cl 2360216911 KLBRVKADTZEGNW-UHFFFAOYSA-N 292.806 4.976 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)[C@H](C)CC1CCC1 2360334045 PRPWAWCIDYLMIX-NVXWUHKLSA-N 282.468 4.883 30 10 CJEE C=CC[C@@H](C)Sc1ccc(OC)cc1CN[C@@H](C)CC 2360364003 KCWBBBWOUKGGLC-UONOGXRCSA-N 293.476 4.640 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)nc1CNCCC 2360380223 BOYFUXVJXLYRCP-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 20754174 PVJRXKVONROQKA-GPMSIDNRSA-N 290.341 4.524 30 10 CJEE CC(C)Cc1ccc([C@H](C)Nc2ccccc2C#N)cc1 21042323 VMIQYWPIUGSUDE-HNNXBMFYSA-N 278.399 4.930 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1cc(Cl)ccc1C#N 36954439 ZCRSWKIITSZCIP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#Cc1ccc(Sc2ccccc2F)cc1C(F)(F)F 37306500 OZEYWYWKQCOUOK-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccccc1 37333829 QQCAEXFXBKNFNM-NSHDSACASA-N 290.288 4.750 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cccnc1 37766291 JGOFLUOTSJNSQR-CYBMUJFWSA-N 270.401 4.533 30 10 CJEE CCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 62166010 LGYLXPDGKJBHNP-SDNWHVSQSA-N 280.367 4.762 30 10 CJEE N#Cc1ccc(-c2ccc(-c3ccccc3)cc2)nc1S 68812775 MWQCBDGQQKPYBE-UHFFFAOYSA-N 288.375 4.576 30 10 CJEE C=CCCC[C@H](Cc1ccc(Cl)cc1)NCCC 71276599 XDWZJPFERHSFQE-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE N#Cc1sc(-c2c(Cl)cccc2Cl)nc1C1CC1 82436784 QKVYUYXWFALBDC-UHFFFAOYSA-N 295.194 4.866 30 10 CJEE Cc1ccc2ccccc2c1C(=O)/C=C/c1ccco1 83204399 ZQSONILSZRKLAP-ZHACJKMWSA-N 262.308 4.637 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCC1(C)C 94307363 YNZXEGVKBQBWSS-HNNXBMFYSA-N 261.434 4.955 30 10 CJEE CCCN(CC(CS)(CCC)CCC)C(C)C 94578979 PHTUJIRRIKQWAO-UHFFFAOYSA-N 259.503 4.623 30 10 CJEE COc1cc(C(=O)/C=C/c2ccc(C)cc2)ccc1Cl 96887967 JNEOFYYOFHRBOR-JXMROGBWSA-N 286.758 4.553 30 10 CJEE CC[C@@H](C)N(CC)CCCCCCCCCS 97799201 CTBNRESGLFGDQL-OAHLLOKOSA-N 259.503 4.767 30 10 CJEE CCCCCCCNC[C@H](C)Oc1cc(C)ccc1C 100027258 CUXAPLYBPLCNBZ-KRWDZBQOSA-N 277.452 4.631 30 10 CJEE C1=CN(c2ccccc2)C(/C=N\Cc2ccccc2)=CS1 100058803 WGYQEQIUNBJYFF-RGEXLXHISA-N 292.407 4.823 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](CO)C1 100310911 DHCXSZBBYGQAOD-SFHVURJKSA-N 283.500 4.612 30 10 CJEE CSC(=CC(=O)c1ccc(CC(C)C)cc1)SC 106490113 QIZRKCCIPROBFR-UHFFFAOYSA-N 280.458 4.635 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@@H](C)CCS 107616271 MPJPKTSEMINDNH-AWEZNQCLSA-N 286.440 4.997 30 10 CJEE CCCCCCCCCNCc1cccnc1OC(C)C 110165356 DIIZUQLSGJLPGO-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(OC(F)(F)F)c2)c1 110253407 BGVHPYODLFEWOU-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE CC(C)CN(CC(C)C)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110263427 LJOOSEFZOGQORM-KURKYZTESA-N 292.511 4.955 30 10 CJEE C[C@H]1CCC[C@@H](c2nc(-c3cccc(C#N)c3)cs2)C1 110310539 HMGBKOJIAWZYTO-SWLSCSKDSA-N 282.412 4.975 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1[C@@H](C)NCCC 111823777 PFVBXWCRQFIDEZ-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCNC(=S)NC1CCCC1 112058117 RKAVXPVMVHOPMT-UHFFFAOYSA-N 284.513 4.534 30 10 CJEE CCCCCCCCCC(=O)N(CC)c1ccc(N)cc1 115854729 DRIOOARYGBDWQS-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 122539666 PTECTXKMPJWSAD-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CN 126131272 RADFIGVSTVZGQS-IXDOHACOSA-N 253.474 4.994 30 10 CJEE CC[C@@H](C)Oc1cccc(Nc2ccc(C#N)c(C)c2)c1 126889124 WVGSTNGHFMHRIQ-CQSZACIVSA-N 280.371 4.788 30 10 CJEE CCCCCCCCCCNc1ncccc1OC 128191025 XBXIKAJKESECKR-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCCCCN1[C@H]2CCC[C@H]1CC(=O)C2 129461226 SAGZKMZZAVKOCG-IRXDYDNUSA-N 279.468 4.713 30 10 CJEE C#CC[C@H](CC)N[C@H](C)c1c(Cl)ccc(F)c1Cl 129735320 OLKCVITYOAIABZ-ZJUUUORDSA-N 288.193 4.585 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc(OC)c1OC 139616773 XDECBMSANKKZQJ-MRXNPFEDSA-N 293.451 4.715 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](N)c1ccc(F)cc1 140788188 IVEBLPWIGNPYAU-YOEHRIQHSA-N 281.415 4.591 30 10 CJEE N#CC1([C@H](O)c2cc3ccccc3o2)CCCCCCC1 156809641 PVGCSQJKQXEBNH-QGZVFWFLSA-N 283.371 4.720 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCCCS1 158009787 YTGYIIKHQFSRLL-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(Cl)cc1F 159194785 UPPHCPVYWFTHCN-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CCCCCCCCC(=O)[C@@H](OC)C1CCCCC1 159848130 NKUBZGNBVFNTPT-KRWDZBQOSA-N 268.441 4.901 30 10 CJEE CCCCCCC[C@H](N)C1(OCC)CCCCCC1 159906639 BVRDICHUYLPYCC-INIZCTEOSA-N 269.473 4.804 30 10 CJEE C=C(C)CC[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164693359 FISKWBFHCAHKRW-MFJUZZNBSA-N 261.453 4.667 30 10 CJEE CCCCCCCCC(=O)CCC[C@H]1CCCO1 166348713 MXLXVTWYRSEDOL-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCC[C@H](NN)C1CCCC1 167738777 WRLYDKBETXLYIE-INIZCTEOSA-N 254.462 4.539 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Cl)c(C)c1 167788659 XJRBZSJVNKAZJB-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@H](O)c1sccc1OC 168351658 GJTJXNCSVQUHNI-LBPRGKRZSA-N 256.411 4.541 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 185866142 NXJBBRAXEUTVMP-HOCLYGCPSA-N 289.419 4.634 30 10 CJEE CCCCCCC/C=C/CCO[C@@H]1CCCCO1 207366090 MRGHJUGDUVOYCA-FDMDGMSGSA-N 254.414 4.836 30 10 CJEE CCc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1 216686595 QDPYAOJYMPYMOG-QXMHVHEDSA-N 270.759 4.799 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)c1ccc(Cl)s1 221023788 NKGNEDVFJJOVTI-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc2c(s1)CCSC2 229759047 SISIOMKOHMMVEP-ZDUSSCGKSA-N 281.490 4.544 30 10 CJEE CC[C@H](C)c1ccc(OCC[C@H](C)CCS)cc1 232360744 PHOZOGQBRMMXQT-KBPBESRZSA-N 266.450 4.925 30 10 CJEE N#Cc1cc(Cl)nc(SCc2ccccc2Cl)c1 236069341 IZUOPAVXVHTDHO-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C=CCCCCC[C@H](O)c1sccc1Br 236513092 MZWFSQFPCBQURE-NSHDSACASA-N 289.238 4.681 30 10 CJEE CCCCCCCCO[C@@H]1[C@H](C)C[C@H](C)C[C@H]1NCC 250839100 WTJHSWRHVAPXDM-BSDSXHPESA-N 283.500 4.776 30 10 CJEE C=CCCCC(=O)c1ccccc1OCc1ccccc1 309757596 BYKQHPITZXCEFR-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CC(C)(C)C#CCNc1ccc(OCc2ccccc2)cc1 309823506 QDSFVATYSWHCNO-UHFFFAOYSA-N 293.410 4.727 30 10 CJEE Cc1c(Cl)ccc(N)c1Oc1ccc(C#N)c(Cl)c1 311788767 LTZAQPVOQUQKQR-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C[C@@H](CNc1ccc(C#N)cc1Cl)C1CCCCC1 312029172 NFHHBVLHJIZWKF-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE CCCCCCCOc1ccc2c(c1)C(=NO)CCC2 312187240 QIBAJOYXIQLWDY-UHFFFAOYSA-N 275.392 4.550 30 10 CJEE CC1(C)CCC(C#N)([C@@H]2CCOC3(CCCC3)C2)CC1 312590312 UYVDMFQYXQWWDH-OAHLLOKOSA-N 275.436 4.836 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316816886 QLGNZAIJCADKEV-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@H]2CCCC[C@H]2CC)C1 316844331 NDIFHQSQWQBENN-NCOADZHNSA-N 250.426 4.988 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)Sc1ccccc1Cl 319810671 IOEMCQDSABFYIL-MFKMUULPSA-N 253.798 4.616 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@H](C)C1 381051317 YZDKXIYROHXTOL-UXLLHSPISA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](CC1(C)CCCC1)NN 389146967 URVLQZNJIAONBC-INIZCTEOSA-N 268.489 4.929 30 10 CJEE C=CC[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 393462726 XLIYBQJUISJYFN-LLVKDONJSA-N 277.717 4.586 30 10 CJEE C[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@](C)(CC#N)O1 394108017 KRGZQPIAGCFUCU-KGLIPLIRSA-N 284.186 4.691 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)C2(C#N)CCC(C)(C)CC2)C1 394503701 AODUNBJWANXGKT-BZUAXINKSA-N 277.452 4.674 30 10 CJEE N#CCc1c(Cl)ccc2cc(C(F)F)sc12 396184245 BFKVVLSADFGZOL-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2ccc3ccccc3c2)N1 398509413 PRPGURAKJLPQGP-KRWDZBQOSA-N 284.428 4.578 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](CC)c1ccccc1 606977511 RZFYBEOBCKWOHE-KRWDZBQOSA-N 288.435 4.526 30 10 CJEE CCSCCCC1(C=O)CC(C)(C)CC(C)(C)C1 688005050 KHAOHVINPQHIIT-UHFFFAOYSA-N 270.482 4.941 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(F)cc(F)c1 692235934 WKFCSNNMJWVWMO-PBFPGSCMSA-N 279.374 4.750 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCCC(C)(C)CC2)c1 697602645 DLMZIJFRRPCIEI-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE CC(C)CN(C(=O)OC(C)(C)C)[C@](C)(C#N)CC(C)(C)C 698842559 UEROTNWUSMHJPS-KRWDZBQOSA-N 296.455 4.598 30 10 CJEE CCCCCCCNc1cc(F)c(Cl)cc1[N+](=O)[O-] 703716951 JPCJMQRHQUAWSF-UHFFFAOYSA-N 288.750 4.770 30 10 CJEE CCCCCCCCCC[C@@]1(N)COC[C@H]1C(C)C 704985050 SHDYABOXDGERFK-DLBZAZTESA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](O)c1oc(C)cc1Br 706230053 KFHUCSVSAOLXRJ-GFCCVEGCSA-N 289.213 4.744 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(SC(F)F)cc1 709667110 MZLZQNAXSWBFHE-FZMZJTMJSA-N 296.386 4.886 30 10 CJEE C[C@](C#N)(CC1CCCC1)Nc1ccccc1Cl 709774206 ZVKQKMGEYGYGDE-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C=CC[C@@H](C)Oc1ccc([C@@H](C)NCCC)cc1Cl 714999886 FFXZJLSCEDUTFQ-CHWSQXEVSA-N 281.827 4.744 30 10 CJEE C=CC[C@H](C)[C@H](NC)C1(c2ccccc2)CCCCC1 715747289 GLKQQFHPHRUNNO-WMZOPIPTSA-N 271.448 4.689 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc2cc(F)ccc2s1 715768244 IENUGGBXGODIQQ-ZUZCIYMTSA-N 263.381 4.513 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC(C)(C)CO1 717025545 JYYHTZPCMACJOV-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cscc1C(F)F 717194917 UTRSNONJHCYQFB-GWCFXTLKSA-N 273.392 4.939 30 10 CJEE C=C1CCC(CNCc2c(Cl)oc3ccccc23)CC1 724447090 QQYZHUZWZVFFQP-UHFFFAOYSA-N 289.806 4.922 30 10 CJEE C=C1CCC(C[C@H](O)c2scc(C)c2Cl)CC1 724547196 LMLOPMJYMHRRCY-LBPRGKRZSA-N 270.825 4.880 30 10 CJEE C=C1CCC(C[C@@H](O)C[C@H](CC)C(C)(C)C)CC1 724571087 LJBKHUGGJVSLHV-JKSUJKDBSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@@H](NC)c2c(C)cccc2C)CC1 724601817 FZXDTDNLENUFOT-QGZVFWFLSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@@H]2CCCC[C@@H]2CNCCC)CC1 724615819 HVXAATKHZZZFJP-ZWKOTPCHSA-N 263.469 4.929 30 10 CJEE C1CCCC(C/N=C2/N[C@H](C3CCCC3)CCS2)CC1 725114306 KUPYYMFENGETKS-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)/C=C\C1CCCCCC1 1124880958 SWDIRXYCRZKPKB-PFONDFGASA-N 297.442 4.728 30 10 CJEE C=CCC1(NC(=O)c2ccc(C(C)(C)C)s2)CCCC1 1131040770 UFNTZUGKZMTZNS-UHFFFAOYSA-N 291.460 4.664 30 10 CJEE C=CCCCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 1181043402 NNXQKWYOGUZPMA-CYBMUJFWSA-N 285.353 4.582 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(Br)cc2)C1 1199483269 OAPVPLOACRXAOH-SMDDNHRTSA-N 280.209 4.606 30 10 CJEE C#Cc1ccc(CN(C(C)C)[C@H](C)c2ccccc2)cc1 1206084700 MAIQGHQRFYSSAT-QGZVFWFLSA-N 277.411 4.640 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccccc1OC(F)F 1206231998 DRDDZYQODHPOJK-GFCCVEGCSA-N 269.335 4.835 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 1264138555 DFNMJFYTFVEZOK-INIZCTEOSA-N 279.383 4.602 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(C(C)(C)C)cc1 1264201625 MVSRPMAECVYNKJ-UHFFFAOYSA-N 271.404 4.506 30 10 CJEE C#C[C@H](NC(=O)C[C@@H](C)CCCCCCCC)C(C)(C)C 1275502577 KIICOBFOKKHTHL-IRXDYDNUSA-N 293.495 4.927 30 10 CJEE C=CCN(C(=O)CCCc1ccc(C2CC2)cc1)C(C)(C)C 1279619651 CFGSCTPEVVOATG-UHFFFAOYSA-N 299.458 4.700 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc([C@H](C)CC)cc1 1288552497 STGZYWVTEVRERH-OAHLLOKOSA-N 287.447 4.922 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@@H](c2ccccc2)C(C)C)C1 1300477297 FVKJQQQYVXQXPQ-PKOBYXMFSA-N 299.458 4.631 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1311226661 FQCWOPUBGCWAAR-KBPBESRZSA-N 298.430 4.654 30 10 CJEE C=CC[C@@H](C(=O)N1CCC[C@H](C(C)C)CC1)c1ccccc1 1360610951 MJMRGHLEWNTJSP-PKOBYXMFSA-N 299.458 4.631 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@H](C(C)C)C2)CCCCC1 1435087604 KZUZLADHVQSWSR-IRXDYDNUSA-N 291.479 4.844 30 10 CJEE C=CC1(CC(=O)N2CC3(CC3)c3ccccc32)CCCCC1 1459160643 ZYENRQHBTCCMHX-UHFFFAOYSA-N 295.426 4.591 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(Oc2ccccc2)o1 1474484447 RSGLEXPTOZRZDM-OAHLLOKOSA-N 283.371 4.612 30 10 CJEE C=CC(C)(C)CCCNCc1cc2c(O)cccc2s1 1474696699 NGENPEVMIWCWSS-UHFFFAOYSA-N 289.444 4.689 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@H]2CC)c1 1477188706 PQRKIYMCJXJPEV-ZBFHGGJFSA-N 286.419 4.668 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cccc(C2CCCC2)c1 1520520515 LUTVXLBHZIIFCC-HNNXBMFYSA-N 285.431 4.819 30 10 CJEE C=CCN(C(=O)CCCCCCSC)c1ccccc1 1524510093 SXPCGZQMAZEGHJ-UHFFFAOYSA-N 291.460 4.519 30 10 CJEE C=CC(C)(C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1532643401 IUYYGPJKXNRHTQ-ZDUSSCGKSA-N 285.387 4.555 30 10 CJEE C#CCCCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1 1536177975 XNVPYHHMWRCUMM-INIZCTEOSA-N 292.806 4.918 30 10 CJEE C=CCCCCCCNCc1ccc2scnc2c1 1560468272 REDCMUWOZWGYDH-UHFFFAOYSA-N 274.433 4.522 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(OCC)cc1C 1560530453 GABOQEMJGSELPD-QFBILLFUSA-N 287.447 4.618 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 1560865629 GFGYFLWNNYOLDR-HOCLYGCPSA-N 298.455 4.645 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(C2CC2)c(C)c1 1562642051 CGOBBUDDYFKGIR-UHFFFAOYSA-N 286.419 4.596 30 10 CJEE C=CC[C@H]1N(C(=O)c2occc2C(C)C)CCCC1(C)C 1586320552 RFHNDYHCAYYYDC-OAHLLOKOSA-N 289.419 4.610 30 10 CJEE C=CCCCCCN(C)C[C@@H](C)C1CCCCC1 1615601424 UWRZVFLXKKZNRE-MRXNPFEDSA-N 251.458 4.881 30 10 CJEE C=CCCCCN[C@H](CC)C(C)(C)c1ccccc1 1616644629 IICXUVSUQNQLLU-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE C#CCCOc1ccc(CNCC2(CC)CCCCC2)cc1 1620893458 NBCTZZCQTFLNBQ-UHFFFAOYSA-N 299.458 4.539 30 10 CJEE C=CCC1(C(=O)N(C)CCC2CCCCC2)CCCC1 1626371809 MPVMLIFAIYQXSU-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCC1(C(=O)N2CC[C@@]2(C)C2CCCCC2)CCCC1 1643356865 BAHVUKVZAQVNMV-SFHVURJKSA-N 289.463 4.694 30 10 CJEE C=CCC[C@@H](CCC)N[C@H](C)c1cc(C)ccc1OC 1659414172 GSCOGLMFBYVXBT-HZPDHXFCSA-N 275.436 4.789 30 10 CJEE CCCCCCCCCC[C@H](N)C12CCC(CC1)O2 1876807434 PHKXRQTWUCOACI-CGZBRXJRSA-N 267.457 4.556 30 10 CJEE C=C(CN(CC)c1ccc(C)cc1)c1ccccc1 1883329470 GDKSQIHVEOGNHA-UHFFFAOYSA-N 251.373 4.535 30 10 CJEE C=C(CN(CCC)Cc1ccccc1)c1ccccc1 1883399341 IHVXYETUFALXHF-UHFFFAOYSA-N 265.400 4.612 30 10 CJEE CCCCCCCCCCN(C)C[C@@H](F)C(F)(F)F 1883857600 FYQONWORGXWPOR-CYBMUJFWSA-N 285.369 4.959 30 10 CJEE CC#CCCCC[C@H](NCCC)C1(CC2CC2)CC1 1885229068 QBYRQPGVJIOVRF-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)c1ccsc1Cl)C1CC1 1887463002 CZXJYHFIUPENKJ-UKRRQHHQSA-N 295.879 4.882 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@@H](C)C1CCCCC1 1887465993 XOJOCSUITXSRDK-XYJFISCASA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](CC[C@H]1CC1(C)C)NCC 1888689245 ONGPJAAWWIJMLG-IRXDYDNUSA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1(C)CCCCC1 1888689919 UFRMLOHPCSCQMI-QGZVFWFLSA-N 257.421 4.648 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1cc(Cl)ccc1Cl 1888704810 CYNXGSQGIRLUPO-INIZCTEOSA-N 292.209 4.881 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCC=Cc1ccccc1 1911989192 KEUHRKSLOQQVJP-AEFFLSMTSA-N 256.389 4.875 30 10 CJEE CC[C@H](C#N)N(Cc1ccccc1)[C@@H](C)c1cccs1 1915378971 RAAKLTGPPAKHEA-GOEBONIOSA-N 284.428 4.613 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CCC2(CCCCC2)C1 1915927223 ZXCOBRQZEHBHFK-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@]1(N)c2ccccc2OC[C@H]1C 1920447318 CWLLQDZOYINUQA-CRAIPNDOSA-N 275.436 4.620 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC=C(C)C)NCC 1921122329 BPLAEYLZRSTLFM-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CC(C)(C)CC[C@H]1C 1926350628 UZZQIEHNSGSMEN-AEFFLSMTSA-N 282.516 4.575 30 10 CJEE C=C(COCc1ccccc1)[C@@]1(N)C[C@H](C)CCC1=C(C)C 1933940164 IYDDAWDWKQKTIA-UZLBHIALSA-N 299.458 4.613 30 10 CJEE CCCCCCCCC[C@H](O)c1ncsc1C 1942971027 GPBVPZAIEYNWOQ-ZDUSSCGKSA-N 255.427 4.626 30 10 CJEE N#C[C@H](c1ccccc1Oc1ccccc1)C(F)(F)F 1952271882 IPTGGWDOMZBWBS-CYBMUJFWSA-N 277.245 4.648 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(C)sc1Br 1958090855 AYEQWUTYPQEMKK-QMMMGPOBSA-N 287.222 4.604 30 10 CJEE C=CCCCC[C@H](O)c1cc(C)cc(Br)c1 1984552900 FHQRGOKWNWODQP-AWEZNQCLSA-N 283.209 4.537 30 10 CJEE C#CC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2000356381 REMKWLAWFILYPQ-LLVKDONJSA-N 290.621 4.711 30 10 CJEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCC1(C)C 2014846259 LZAKPKZGVVJXPO-OAHLLOKOSA-N 292.220 4.630 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2 2031760999 SQGSTJURRLUKAI-OWCLPIDISA-N 269.860 4.858 30 10 CJEE C=C([C@H](NCCC)c1ccc(SC)s1)C(F)(F)F 2032354467 JRZGMQUIYUZIFQ-NSHDSACASA-N 295.395 4.629 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1(CC(F)(F)F)CCC1 2034490961 KLGWMKBBKLHHEF-NSHDSACASA-N 283.765 4.620 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C(F)(F)C12CC2 2034494936 QDOSXXVZAVMOKR-ZDUSSCGKSA-N 258.352 4.742 30 10 CJEE C=C(C[C@H](CC1CCCCC1)NCC)C(C)(C)C 2038166772 RIINBCIDFCYLGV-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCN[C@@]1(C)C[C@@H]1C(F)(F)F 2040788737 PRDQGVZNKZTKLL-STQMWFEESA-N 265.363 4.668 30 10 CJEE CC[C@H]1CCC[C@H](C(=O)C2=CCC(F)(F)CC2)C1 2045234000 XLYHZHOEGJEYFF-AAEUAGOBSA-N 256.336 4.518 30 10 CJEE C=CCCC[C@H](CCCCCCCCCC)NN 2046028541 JGQDHOPWFGBCGJ-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE N#C[C@@]1(C[C@H]2CC23CCCCC3)CCC(F)(F)C1 2047022207 BUXVWEKTVCZWIA-QWHCGFSZSA-N 253.336 4.676 30 10 CJEE C=CCCC[C@@H](CCC(C)(C)C1CC1)NCCC 2052917633 QLEKMSINQHETID-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cc2cc(Cl)ccc2o1 2053062773 GEGATDOGLNGQPQ-GXFFZTMASA-N 263.768 4.559 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H](F)C1CCCC1 2057898959 AVISHZFMYMKIPH-HOCLYGCPSA-N 254.389 4.690 30 10 CJEE CC[C@@](C#N)(Cc1csc(C2CCC2)n1)C(C)C 2064503082 UGUDIXSQJVZCQQ-HNNXBMFYSA-N 262.422 4.529 30 10 CJEE Cc1c(C2=CC(=O)C[C@@H](C)C2)sc2ccccc12 2067475656 DVHNQPYRCSHEDK-JTQLQIEISA-N 256.370 4.592 30 10 CJEE C#Cc1cc(CC(C)C)nn1[C@@H](CC)c1ccc(C)c(C)c1 2070134392 LDKVLRUKFTXOQG-FQEVSTJZSA-N 294.442 4.679 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)[C@H]1CC[C@H](CCC)CC1 2072695009 DXSWCNPIPNAFFI-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@]1(O)C[C@H]2CCC[C@@](F)(C2)C1 2075722962 ZVMQQCWSAHAQJM-ARFHVFGLSA-N 254.389 4.546 30 10 CJEE C#CCCCCCN[C@@H](C)c1cc(Cl)ccc1Cl 2085422504 REWAXYNRKOXEML-LBPRGKRZSA-N 284.230 4.838 30 10 CJEE C=CCCCCCC[C@H]1CCCC[C@@H]1CNCC 2085838795 HYDWVPHQYKEHGP-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCN[C@@](C)(CC=C)C(F)(F)F 2085854590 QRCSURUMWLBTHK-ZDUSSCGKSA-N 263.347 4.610 30 10 CJEE C=CCCCCCCC1(C(=O)O)C(C)(C)C1(C)C 2085913705 DVDRSRSKHBSYCT-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@H](C2CCCC2)CO1 2088326044 CAEZZSKJVVGOQY-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCCCCCCCCOCC[C@H]1CCCC[C@H]1N 2090573500 TZNFAORBBIICMZ-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCC(=O)C[C@H](N)CC(C)C 2096049935 LRAUAOQBHSPSGP-MRXNPFEDSA-N 269.473 4.850 30 10 CJEE C=C(C)C[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC 2096543333 VYTFMWAVQLYCEF-KURKYZTESA-N 257.421 4.515 30 10 CJEE CCCCCCC[C@@H](NN)[C@H]1CCCC(C)(C)CC1 2100867589 OSETZEDLAPPADI-JKSUJKDBSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CO[C@H](C)C1 2103137549 GWVVZRSJLSSSJW-WBVHZDCISA-N 269.473 4.530 30 10 CJEE C=C(CC)C[C@H](NCCC)c1snc2ccccc12 2103682813 GPHCQLMCGLVQKV-HNNXBMFYSA-N 274.433 4.693 30 10 CJEE C=CCCOCC[C@@](CC)(CCCC)CNCCC 2108188589 FLUNLTWVPXSDMD-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1cccc(Cl)c1F 2111314772 UQBYMIHKXFLIRY-AWEZNQCLSA-N 281.802 4.569 30 10 CJEE C=CC1(C[C@@H](NCC)c2ccc(C)cc2C)CCC1 2111707442 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30 10 CJEE CC1CC(C)(C[C@]2(C=O)CCCC(C)(C)CC2)C1 2253655691 SFTWZCQIXCWRDH-PREGVCBESA-N 250.426 4.988 30 10 CJEE C=CCCCSC[C@@H](NC)c1cc(C)cc(Cl)c1 2258977458 BAFGEOOYXQLEAU-OAHLLOKOSA-N 283.868 4.608 30 10 CJEE C=CCCCCCCCSCCCC1(N)CCC1 2259056110 BNOYIZWDSWICFW-UHFFFAOYSA-N 269.498 4.908 30 10 CJEE CC1CC2(C1)CC(C[C@@]1(C#N)CCC(F)(F)C1)C2 2259525060 QCGBUDPJQCQQKX-RFPFOJJUSA-N 253.336 4.532 30 10 CJEE CCCCCCCCC1(CO)CC2(CC(C)C2)C1 2259603494 QFTFDRMAXCLJGK-UHFFFAOYSA-N 252.442 4.926 30 10 CJEE C[C@H]1CC[C@@](C=O)(CC2CC(CC(C)(C)C)C2)C1 2261260866 QZOWXXMPHCZONJ-GIOUXUJVSA-N 250.426 4.844 30 10 CJEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)s2)CCC1 2263315701 BUFPXXNWROEPMI-VIFPVBQESA-N 275.339 4.513 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@@H]2C1 2263707509 CDCVPRAWBIJPAV-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCCCCCCCC[C@]1(N)CC2C[C@@H]3C1[C@@H]3C2 2264440482 WEKGISJNPJFTKT-MWOZMSIYSA-N 263.469 4.891 30 10 CJEE COc1ccc(Nc2cccc(Cl)c2C#N)c(Cl)c1 2268010726 IUGYHOPRHXXVSS-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C[C@H]1CCC[C@](CO)(CC=CC#CC(C)(C)C)CC1 2268726766 UEXWUTYQCNCIOT-FUHWJXTLSA-N 262.437 4.561 30 10 CJEE CCCCCCCCCC[C@]1(CN)C[C@]1(C)COC 2269301295 ONRYTUMHXVSLKV-IAGOWNOFSA-N 269.473 4.519 30 10 CJEE C=CCCCCCCSc1ccccc1C(=O)OC 2271679318 NDSIIPAJFMGNNA-UHFFFAOYSA-N 278.417 4.702 30 10 CJEE C=C(C)CCCCN(C)CC[C@@H](C(F)F)C(C)(C)C 2271832556 CCWJROYCBFQKFM-AWEZNQCLSA-N 275.427 4.982 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CC2CCC1CC2 2271833798 VAPPICLJEVBPAU-ZGUYJTEBSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H]1C(F)(F)F 2271838184 CSOMQWATZTUCSH-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=C(C)CCCC[C@@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 2271838505 GYPQUXQQSMLJJN-YFVGIKETSA-N 262.437 4.700 30 10 CJEE C[C@](N)(CC#CC1CCCC1)c1ccc(Cl)cc1Cl 2274166818 PIKRNOHGXYIGOG-INIZCTEOSA-N 296.241 4.751 30 10 CJEE CC(C)(C)c1cccc([C@H](C#N)[C@@H]2CCC[C@H]2F)c1 2274503184 JSUPTRXXEQQTET-HRCADAONSA-N 259.368 4.729 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H](CC)CCC 2274982924 ADBITYQZYJKHJG-GJZGRUSLSA-N 272.429 4.643 30 10 CJEE C=C[C@H](C)CC(=O)c1ccccc1-c1ccccc1 2277459456 FXSBCWVQZFVQRA-AWEZNQCLSA-N 250.341 4.749 30 10 CJEE CCCCCCCCC[C@@](C)(OC(C)(C)C)C(=O)O 2278176089 NTOHBWHKAMBNFQ-MRXNPFEDSA-N 272.429 4.786 30 10 CJEE C=CCO[C@@H](C)CN[C@H](C)CCCCCCCCC 2278233741 IYEZMSWBYBJELR-SJORKVTESA-N 269.473 4.696 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](OC)C(C)C 2278246197 ILUDWOIVHBWDNL-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCCCC12CC2)NN 2279564872 XDMWFWUEOQOKCK-IAGOWNOFSA-N 280.500 4.929 30 10 CJEE CCCCCCCCN=c1ccc2cccc(C)c2[nH]1 2279601227 BWBIOTXEFVSALP-UHFFFAOYSA-N 270.420 4.738 30 10 CJEE CC(C)(C)c1ccc(Oc2c(F)cccc2C#N)cc1 2280424416 SXKSFNIQIVNQRG-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE C[C@@H](Nc1c(F)cccc1C#N)C1CCC(C)(C)CC1 2280479462 BGEKRFZPEPZOEN-GFCCVEGCSA-N 274.383 4.714 30 10 CJEE CCCc1ccc(CNc2cccc(Cl)c2C#N)cc1 2283372087 GPPYHIBVYHANOH-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE Cc1cc(F)ccc1[C@H](C)Nc1cc(C#N)ccc1Cl 2285227230 LQADHJNPDMUDPW-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCCCCCCCN(C)C1CC2(CC(OC)C2)C1 2286415428 IQSLVYXDIYMWTK-UHFFFAOYSA-N 281.484 4.626 30 10 CJEE C=C(C)CCCCOc1ccc(F)cc1[C@@H](C)NCC 2287415550 VMJGKKNHRZCBFO-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=C(C)CCCC[C@]1(CNCC(C)C)CCO[C@@H](C)C1 2287465932 CXPKXTLHAARDTL-ROUUACIJSA-N 281.484 4.554 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H](O)[C@@H](CC)CCC 2287669102 GGVCOOZHSUFQJL-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE C=C[C@@H](C)CCNCc1ccccc1-c1ccccc1 2288685990 QOQUSLLXUUODNP-MRXNPFEDSA-N 265.400 4.655 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cc(C)cnn1 2288805302 JUWJDUOKSPTVPM-KRWDZBQOSA-N 278.440 4.739 30 10 CJEE CC[C@@](O)(CC#CC1CCCC1)C1CCC(C)(C)CC1 2289904184 INZFTBWLYIAQTP-LJQANCHMSA-N 276.464 4.928 30 10 CJEE CC1(C)CCC2(CC1)CC(O)(CC#CC1CCCC1)C2 2289904519 LFOSEQQXUROLES-UHFFFAOYSA-N 274.448 4.682 30 10 CJEE CC(C)(C)CC1CC(CNCCCCC(C)(C)C#N)C1 2290036678 GPZGCMPHZQELQT-UHFFFAOYSA-N 278.484 4.758 30 10 CJEE CC(C)(C)CC1CC(CN[C@H]2CCCCC[C@H]2C#N)C1 2290037423 PRCFSDGOGZUKLJ-GQGLESIBSA-N 276.468 4.511 30 10 CJEE C=CCCCCCC[C@]1(OCCC(=O)O)CC[C@@H]1CC 2291295469 TXYWTOWYZXKXHH-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCCC2(CCC2)C1 2292891827 LBLFCMWFZKTEQD-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)c1ccco1 2293995455 VRNUGLJXFSTWJL-INIZCTEOSA-N 279.424 4.603 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1ccccc1 2294276636 XXTHOQPEYKOOAZ-SFHVURJKSA-N 277.452 4.628 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1occc1C 2294564179 DJNMIPOQFHNLOT-INIZCTEOSA-N 281.440 4.745 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)[C@H](C)CC(=O)O 2295531647 NEVPOKUMCJVLDA-HZPDHXFCSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1N(C)C 2295677428 SYJQTXXDALDXGK-KSZLIROESA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@H](CCCC)C(=O)O 2295687136 QTRCLCYULHXLOZ-NVXWUHKLSA-N 285.472 4.736 30 10 CJEE CCCCCCCCCCCCN[C@H](CN)[C@@H](C)CC 2296243307 KENUHGSLEOINSC-ZWKOTPCHSA-N 284.532 4.870 30 10 CJEE O=C1C(=Cc2ccccc2Cl)CCCc2ccccc21 2297563092 TWKPCOVDXATRSQ-UHFFFAOYSA-N 282.770 4.943 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(Cl)c(F)c1 2300102541 UPIBKEGRNHERBY-ZYHUDNBSSA-N 253.748 4.768 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(OC)c(Cl)s1 2301969550 ZPPBBKKKNADYHX-SNVBAGLBSA-N 273.829 4.546 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1ccc(Cl)cc1 2307145436 QJASECWAZWIESU-CQSZACIVSA-N 272.841 4.701 30 10 CJEE CC(C)C[C@H](CS)CSc1ccc(F)c(F)c1 2308061853 JSSREPYWWAEWSJ-SNVBAGLBSA-N 276.417 4.649 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CC[C@H]1C(F)(F)F 2312200510 HDPMMXWBQDFNLC-JHJVBQTASA-N 265.363 4.666 30 10 CJEE C=C(C)CC[C@H](NCC)c1c(F)ccc(C)c1Cl 2314004413 AOCBPRUAWHIQNK-ZDUSSCGKSA-N 269.791 4.794 30 10 CJEE C=C([C@H](NCCC)[C@@](C)(CC)C(F)F)C(C)(C)C 2315004059 RUYIEAOZLVFOHT-SWLSCSKDSA-N 261.400 4.638 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cccc(Cl)c1 2316750812 XEBYHQVRHUOJSN-MRXNPFEDSA-N 263.812 4.759 30 10 CJEE C#CC(C)(C)C[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2316943857 LBHNLBVGYNITIQ-CYBMUJFWSA-N 284.230 4.612 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCC[C@H]2C[C@@H]21 2319259790 AEKREGMOTPIVRJ-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@@H]1C1CC1 2319633702 VQPXCTRUPBNQSE-DLBZAZTESA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CC[C@H]1C1CC1 2319770243 VLRSLDNXHHIIPF-UAGQMJEPSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2320286466 LIXJRWJEJNYAAR-DLTWYDFYSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)cc1Cl 2321136712 FDOPDOWTFMPEHR-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)[C@@H]1CCC2(CCCC2)C1 2321234727 UKPUKOIUZCRPMT-OAGGEKHMSA-N 250.426 4.700 30 10 CJEE CCC(=CC(=O)Cc1cc(F)c(Cl)cc1Cl)CC 2325261953 GREUXZBXTIOGHW-UHFFFAOYSA-N 289.177 4.991 30 10 CJEE CC1(C)CC[C@H](COC[C@@](C)(CS)C(C)(C)C)C1 2327118309 IETGIQPHQBXKEV-BBRMVZONSA-N 272.498 4.812 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CC2)CC1 2332637927 OKIKIRIZCQHDNU-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)Sc1c(Cl)cccc1C[C@@H](C)N 2335103057 GNZOFJWIDVVPRY-GFCCVEGCSA-N 295.879 4.843 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCC2(CC2)[C@@H]1NCCC 2335103927 SSEJMXOBQFHXOL-HRCADAONSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)cc1CNCC 2335246864 ZRATXRWCAGHHMO-UHFFFAOYSA-N 275.461 4.717 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@](C)(CC)C(F)F 2336609866 KDNSLHQNRLSYLQ-GDBMZVCRSA-N 273.411 4.620 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1ccc(CCC)s1 2338006601 NVNYWDQEAILPEW-AWEZNQCLSA-N 282.449 4.605 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)c1csc(C)c1C 2338250241 SQPZWCRKIYRXPC-INIZCTEOSA-N 289.469 4.519 30 10 CJEE C=CCC(CC=C)C1(CNCC)CCC(C)(C)CC1 2338739661 XSINUCYMCZPNBQ-UHFFFAOYSA-N 263.469 4.951 30 10 CJEE O[C@H](CCCCC(F)(F)C(F)(F)F)CCCC(F)F 2342335777 QENWWKAOKVYGQQ-MRVPVSSYSA-N 298.242 4.541 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NC 2344394214 AXEXZVAKQBPGAT-JONQDZQNSA-N 263.469 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344475173 GFALGCLCCGXACS-DNCCFGNJSA-N 264.453 4.802 30 10 CJEE CN(C[C@H]1CCC(C)(C)C1)C[C@@](C)(CS)C(C)(C)C 2352071722 IUNQNSWOBIDLKC-YOEHRIQHSA-N 285.541 4.727 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CC[C@@H](C(F)(F)F)CC1 2353835062 QLJYZQBAIXEFND-RWMBFGLXSA-N 298.414 4.716 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@H]2C[C@@H]1CO2 2359074861 RFTRMQXNGWZYNK-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CSc1ccc([C@H](C#N)Nc2ccc(Cl)cc2)cc1 37935974 WDAREDGRQDDLIT-HNNXBMFYSA-N 288.803 4.739 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCCc3ccccc32)c1 37936806 FKIVHQLLAZKJMN-IBGZPJMESA-N 276.383 4.552 30 10 CJEE CC1CCC2(CC1)CS/C(=N\c1ccc(Cl)cc1)N2 53099191 PRJLMYMTDUIHQK-UHFFFAOYSA-N 294.851 4.613 30 10 CJEE N#C[C@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 54823335 DVZHGWDINFKKBU-RDDDGLTNSA-N 289.593 4.751 30 10 CJEE CCC[C@@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 79343627 LTKHIONCUPTDJJ-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)CC1 86939758 ZRFUTPGKZXSCEZ-ZIAGYGMSSA-N 274.383 4.858 30 10 CJEE CCC1CCC(C#N)(CCCOc2ccccc2)CC1 87933641 PSKZALSBVRDZHF-UHFFFAOYSA-N 271.404 4.956 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1c(Cl)cccc1Cl 88171058 OJRZEKQUIMYVQC-ZWNOBZJWSA-N 283.202 4.878 30 10 CJEE CCC[C@H](CS)CN(C)[C@@H](C)c1cccc(Cl)c1 94579548 JTPPQVYMIBTUNG-STQMWFEESA-N 285.884 4.679 30 10 CJEE CCCCCCCCCOc1ccc(F)cc1N 109686105 SBNMIVKLMLUIKK-UHFFFAOYSA-N 253.361 4.537 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)c(C#N)c1 109947598 RAAVMPHHWRACSX-ZDUSSCGKSA-N 262.372 4.858 30 10 CJEE CCCCCCCCCCCCN(C)C(C)(C)CN 110107619 ZMSPHBMQLCBEEE-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCC1CCC(C(=O)[C@@H](C#N)CC(C)C)CC1 110323602 KSRBLYKVGKGIRG-UYSNPLJNSA-N 263.425 4.738 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CNC(C)(C)C 110326049 IHEUVUZQUMPJBD-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1OC(F)(F)F 111849404 DPYFTRPUHGGZRS-ZDUSSCGKSA-N 290.325 4.979 30 10 CJEE CCCCCCCN1C[C@H](C2CCCCC2)NC[C@@H]1CC 115253943 QYKVOGJWWKLCIA-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@@H](CO)Cc1ccc(Cl)cc1 116633346 BDEPFGCILJJGMK-OAHLLOKOSA-N 268.828 4.852 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(CC)cc1)NC 123755935 VUAPSFNSEJXPRE-SFHVURJKSA-N 261.453 4.740 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)cc(Cl)c1 125650007 NETFHLNKUPTCCA-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(F)cc2C#N)cc1C 126234468 IBKNXJQVSXFVLK-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CCCCCCCC(=O)[C@H]1Cc2cc(Cl)ccc2C1=O 127691870 NVBASVPLRGGIFC-OAHLLOKOSA-N 292.806 4.625 30 10 CJEE COc1ccc(C#N)c(NCC2(CC(C)C)CCCC2)c1 129173252 MJVMTKLVEJLVIS-UHFFFAOYSA-N 286.419 4.585 30 10 CJEE Cc1cc(Oc2cccc(C(C)C)c2)ccc1C#N 133494513 IWSZCYLEPMOSPR-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCCc1nnc(S)n1C(C)(C)C 136007043 PMLKELBDXZDJPA-UHFFFAOYSA-N 283.485 4.615 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cc(C)nnc1C 140442654 VGDDOHXFSZGJBQ-SFHVURJKSA-N 291.483 4.885 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1ccc(F)cn1 147764630 BLGMXTCBJNTXHA-LBPRGKRZSA-N 288.391 4.672 30 10 CJEE N#Cc1cccc(CSC2=Nc3ccccc3SC2)c1 212891761 AXOJKXYYNKFISG-UHFFFAOYSA-N 296.420 4.627 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccncc2)C1 227796728 UAVNZKPLGQBOHV-FMKPAKJESA-N 288.460 4.918 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)O1 229030711 HSQXNKJNJUFYJK-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE CCc1ccc([C@@H](NCC(C)(C)CCC#N)C(C)C)cc1 229672023 SIZCQRJCYKQEOE-SFHVURJKSA-N 286.463 4.866 30 10 CJEE CCCCCCCCNCC(CC)(CC)SC 232921175 JXUOIAWKQXMEQY-UHFFFAOYSA-N 259.503 4.858 30 10 CJEE C=CCCCCCOc1ccccc1[C@H](CC)NCC 233579667 WYQCYUKSTQJOHS-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC 234382302 QFSSYFSHZMZDOV-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE C=CCCCCCC(=O)c1cccc(Cl)c1F 236146054 REKNAMUUBOYVHD-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE O=C(C=C1CCCCC1)c1cc(Br)ccc1F 236216683 UGJVGYVQGQPYSE-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE COc1c(C(C)(C)F)ccc(C)c1[C@@H](CC#N)C1CC1 260415113 IGNHVXVUXKGRTN-ZDUSSCGKSA-N 275.367 4.616 30 10 CJEE Cc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C#N 300438502 QQLFSXQMXNMTBH-QIIPPGSGSA-N 270.420 4.739 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@](C)(O)c2ccc(Cl)c(Cl)c2)C1 307891997 KPKJQZPDQSMAFG-VCTAVGKDSA-N 298.213 4.531 30 10 CJEE N#CC1(CCc2ccc(Cl)cc2)Cc2ccccc2C1 308601890 AXMTYNGULJAZDO-UHFFFAOYSA-N 281.786 4.581 30 10 CJEE C=C(C)CC[C@@H](N)c1ccc(OCc2ccccc2)cc1 309835098 IHGXEVMCCDERDY-LJQANCHMSA-N 281.399 4.622 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@H](C)CC(C)C)CC1 311270056 ZRPNGYXQVREDSJ-GYXIZQIFSA-N 265.441 4.530 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc2ccccc2o1 312200599 GBAYUTNYTLHBLS-HNNXBMFYSA-N 269.388 4.523 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2sccc2Cl)C1 317327603 PTMSQQPTGBPELY-BXUZGUMPSA-N 270.825 4.730 30 10 CJEE CCCC1CCC(C=O)(CCCC(F)(F)F)CC1 317408883 DBKIJLBFHBMSGU-UHFFFAOYSA-N 264.331 4.895 30 10 CJEE CCCCCCCC[C@]1(C=O)COc2ccccc2C1 317703587 KVBFELQBLNYITM-SFHVURJKSA-N 274.404 4.557 30 10 CJEE C=CCCCCC[C@@]1(CNCCOC)CCCC[C@@H]1C 318771186 WIVYSHDAZQOEFA-ROUUACIJSA-N 281.484 4.555 30 10 CJEE CCCCCCCOc1cccc(C[C@@H](N)CC)c1Cl 328217736 KNVCRSGTIXGPTE-HNNXBMFYSA-N 297.870 4.969 30 10 CJEE C=CC(C)(C)CN[C@H](CC)c1cccc(Br)c1 385026344 JJMDBMPVACWMJA-CQSZACIVSA-N 296.252 4.702 30 10 CJEE CCCCCCC[C@H](CCCCOC)NCCC 385142723 XCFAIMLVWBKTIV-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE Cc1c(Cl)ccc(C(=O)C2=CCCCCC2)c1F 385280560 KMGLTENTOBIBQT-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE C=C(C)CCN[C@H](C)c1oc2ccccc2c1CC 386824026 GREBXGWFDWLUEG-CYBMUJFWSA-N 257.377 4.612 30 10 CJEE CCC(C)(C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394740846 VXBGRVRAQGWFSE-UUCFBXCCSA-N 265.441 4.530 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cccc(Cl)c1F 395889929 ICSQYASEVCKPEO-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)C1(C#N)CCC(CC)CC1 397703175 MTBULPCEXSBIQZ-NRLXWARBSA-N 277.452 4.674 30 10 CJEE C=CCCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 436441492 YXHKUDGDRNFWTO-INIZCTEOSA-N 291.822 4.750 30 10 CJEE N#Cc1cccc(-c2cc(Cl)ccc2Cl)c1F 514260860 BJNDWOCNZWZIDU-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCOc1ccc(CN[C@H](C)c2cccc(C)c2C)cc1 604418400 WURVGFDZPDUCAL-QGZVFWFLSA-N 295.426 4.719 30 10 CJEE N#Cc1ccccc1[C@H]1CCCCCN1Cc1ccccc1 616626301 CJGBAMQMJIZEQV-HXUWFJFHSA-N 290.410 4.676 30 10 CJEE C#CCCCCC[C@H](O)CC12CC3CC(CC(C3)C1)C2 686685900 OTRIUXFSITXMQN-NNGLDNROSA-N 274.448 4.538 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H](CC)c1ccccc1 686693406 SGVZQTBAJSBEPM-RBUKOAKNSA-N 271.448 4.742 30 10 CJEE C#CCCCCC[C@@H](CC1CCCCCC1)NCC 686694859 DPNVEGIISVLQKK-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C#CCCCCC[C@H](CSc1ccccc1C)NCC 686698001 UOABQNZMHZFRMQ-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(C(F)(F)F)cc1 686701645 NRGCUOLVPYJQHU-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC[C@@H]2CCOC2)C1 688019741 AJRJJBPCGOKPLS-OAHLLOKOSA-N 280.452 4.615 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C 691952264 VXKYTMPYMCBBGM-CQSZACIVSA-N 299.455 4.562 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCc2c(F)cccc21 692213822 IORVBHXOMINFEH-XWIAVFTESA-N 273.395 4.538 30 10 CJEE C=CCC[C@H](NCC)c1cc2cscc2s1 694417640 MFGXEFJTSOJJFC-NSHDSACASA-N 251.420 4.580 30 10 CJEE C=CCC[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695034798 KWTHHZRTURAKKM-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H]2CCCC(C)(C)CC2)C1 697841043 BDPPSHNLOXCEER-NCOADZHNSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCCOC2CCCCC2)C1 699945799 FNSCGUIHKPLYMN-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCCOC2CCCCC2)C1 699945802 FNSCGUIHKPLYMN-WBVHZDCISA-N 263.425 4.836 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C(F)F)cc1N 704012425 YBTFAGYSGVGQIP-UHFFFAOYSA-N 268.351 4.611 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCSc2ccccc21 704049777 ZYHIMXZTNIZKPH-OAHLLOKOSA-N 275.461 4.806 30 10 CJEE CCCCCCCOc1ncc(Cl)cc1CNC(C)C 711801355 IPLUYSRWXNOAFI-UHFFFAOYSA-N 298.858 4.582 30 10 CJEE CCCCCCC[C@@H]1[C@@H](NCCC)CCN1[C@@H](C)CC 712184597 KCSNCGNGFKXQLA-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)cc1Cl 715723740 ZFGGKGUQWDADCD-YGRLFVJLSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1CCC(C)(C)CC1 715768019 HFQIDUSWBGLUNZ-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C2CC2)s1 716610698 JYDZMJQLDFLLSH-AWEZNQCLSA-N 280.481 4.881 30 10 CJEE CC(C)=C(C)CC[C@]1(C#N)CCCc2ccccc21 718669722 ODQNZTKQVFREEN-SFHVURJKSA-N 253.389 4.921 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCC(C)(C)[C@@H]1NCCC 719287790 KDZJNIRLRYLOEV-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE C=CCCCCC[C@@H](NC)C1CCC(SC)CC1 720510426 LKGWQFVYYZXRRK-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CCc1cc(Cl)cc(Cl)c1 722140416 QZVUGUSTZFAZIW-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CCCCCCCCC[C@@H](CC1CC(C)(C)C1)NN 723586927 CCTKSOVOAJLIOH-INIZCTEOSA-N 268.489 4.785 30 10 CJEE C=C1CCC(CNc2c(F)cccc2Br)CC1 724552917 FKGQJLKOBISNQR-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE CCCCCCC[C@H](NC)c1cc(Cl)cc(OC)c1 829370646 KPBPATFVPCOYTO-INIZCTEOSA-N 283.843 4.970 30 10 CJEE C=C[C@H](CC(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1124433618 ZWCICLHCTPSLDL-MRXNPFEDSA-N 280.367 4.569 30 10 CJEE C=CCN(C(=O)C[C@@H](CC)CCCC)c1ccccc1 1124756668 KNBHAYLGLRWVEA-INIZCTEOSA-N 273.420 4.812 30 10 CJEE C=CCCCCCN(C)C(=O)CC(C1CCC1)C1CCC1 1126325595 XQHHGGYZKNNRQA-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=C(C)c1cccc(Nc2cc(C)nc(C3CCC3)n2)c1 1164310347 LLZRZXHXDXSEGO-UHFFFAOYSA-N 279.387 4.829 30 10 CJEE C=CCCCN(CC)Cc1ccc(OC)c(C(C)(C)C)c1 1184187119 BSSPMPPRLWTFKL-UHFFFAOYSA-N 289.463 4.781 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1cccc(-c2cccs2)c1 1199510329 NJZHFQWTPSGVOO-OAHLLOKOSA-N 298.411 4.597 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCCCC1(F)F 1307742570 WCVWMUGECMECSJ-QGZVFWFLSA-N 293.401 4.890 30 10 CJEE C=C[C@@H]1CCCCN1[C@H]1C[C@H](C)Sc2sccc21 1308726662 KJXRXEYJZKKKEJ-SCRDCRAPSA-N 279.474 4.714 30 10 CJEE C#C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1 1308795115 FEQNWXYIKMSKPM-PBHICJAKSA-N 289.850 4.820 30 10 CJEE C#CCC1(C(=O)Oc2cc(C)ccc2Cl)CCCCC1 1349609894 AMDWLFBZIWWHQD-UHFFFAOYSA-N 290.790 4.528 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@@H](CC)C(C)C 1360160633 LUUSMOIMNXKCNS-QGZVFWFLSA-N 279.468 4.654 30 10 CJEE C=C(C)C(C)(C)C(=O)OCCCc1cccc2ccccc12 1360930238 CLIWEFJLNNVKGC-UHFFFAOYSA-N 296.410 4.918 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 1438921928 PCKHEJPAUSUJTB-OAXWQBPPSA-N 297.442 4.947 30 10 CJEE C=C[C@@H](C(=O)NCC(C)(C)C1CCCCC1)c1ccccc1 1446273678 DLNZQTBRGPWYRZ-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1SCC 1456182624 YLRDHJHOJYAXPN-HNNXBMFYSA-N 297.851 4.993 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc(C)cc1Cl 1460887459 UMGAVPHNOLJBDO-HNNXBMFYSA-N 263.812 4.579 30 10 CJEE CCC1(C)CCC(Nc2ccccc2O[C@@H](C)C#N)CC1 1461987679 IBPWBMFMZYSLAV-SYJJWHGVSA-N 286.419 4.748 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(Cl)c(CN(C)C)c1 1462154581 HWHUAZKDRSMMIE-OAHLLOKOSA-N 294.870 4.948 30 10 CJEE C=CCC(C)(C)C(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1462160802 CWZXBUUKDFASRU-INIZCTEOSA-N 299.458 4.840 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](C/C=C\C)C2)CCCCC1 1470788259 UGOOBSWIZTWDTB-MAVJXHJTSA-N 289.463 4.718 30 10 CJEE C#CCCCCCCN1CCCC[C@H]1CCC(C)C 1473253461 NKWNSOUSRRZCJI-SFHVURJKSA-N 263.469 4.861 30 10 CJEE C=CC[C@H]1N(Cc2csc(C)c2C)CCCC1(C)C 1474481877 JFKGBYGBTGPSOU-MRXNPFEDSA-N 277.477 4.932 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(F)c(C)c1)c1ccccc1 1517071347 GUMRUTTXWVXBSA-QGZVFWFLSA-N 298.357 4.790 30 10 CJEE C=C[C@@H](CC(=O)Oc1ccccc1CCC)c1ccccc1 1534252547 GXYSYFSTCXARKN-INIZCTEOSA-N 294.394 4.904 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1cccs1)C(CC)CC 1534595199 HZGJBDQJQMHANR-MRXNPFEDSA-N 279.449 4.698 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(CC(C)C)s1 1534974908 KWOLBPWCIYFJHE-UHFFFAOYSA-N 293.476 4.669 30 10 CJEE C=CCCCC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1538662892 GFIOISKCLNDLPT-HNNXBMFYSA-N 271.404 4.519 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)CCCCCC)CCCCC1 1540652516 LIIBTETWYHWIML-INIZCTEOSA-N 279.468 4.988 30 10 CJEE C=CCCC[C@@H](NCCc1ccncc1C)c1ccccc1 1560108766 LFXGRWDYWKAOTK-HXUWFJFHSA-N 294.442 4.620 30 10 CJEE C=C(C)CN(CC)Cc1ccc2oc3ccccc3c2c1 1560720850 MIEXOBMUMAWXHI-UHFFFAOYSA-N 279.383 4.984 30 10 CJEE C=C[C@H](C(=O)N1CCC[C@@H]1CC1CCCC1)c1ccccc1 1583181048 YHZWDLIHLWVYIA-MOPGFXCFSA-N 297.442 4.528 30 10 CJEE C=CC[C@H](CC)NC(=O)[C@H](CCC)CC1CCCCC1 1586212419 VLYHFOXEPYMSCQ-SJORKVTESA-N 279.468 4.844 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[C@H](C)CC 1587234095 PTXZKIIGICNWAX-ZACQAIPSSA-N 279.468 4.844 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1597112984 GXAURZYDYBVEBL-HZPDHXFCSA-N 293.495 4.948 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(C)cc2)cc1 1614825629 KLYCZJIXDDFTSJ-UHFFFAOYSA-N 264.368 4.574 30 10 CJEE C#Cc1ccc(CNCC[C@H](C)CCC=C(C)C)cc1 1621345177 KGMJCUFBWKJPAK-QGZVFWFLSA-N 269.432 4.530 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)CCc1ccccc1 1621474407 VAGHIMWPPZRRRF-GOSISDBHSA-N 273.464 4.980 30 10 CJEE C=C[C@H](C(=O)NC[C@@H](CCC)CCCC)c1ccccc1 1622298649 NPMYWSYIQGGCKX-WMZOPIPTSA-N 287.447 4.679 30 10 CJEE C=C1CCN(C(=O)Nc2cccc3c2[C@H](C)CC3(C)C)CC1 1627603203 MLOCHEAGUWUOMU-CQSZACIVSA-N 298.430 4.655 30 10 CJEE C=C(CC)CN1CCC[C@H]1[C@@H](CC)c1ccccc1 1641879428 IKVGGMXYRLEQRY-ROUUACIJSA-N 257.421 4.611 30 10 CJEE C=C1CCN(Cc2ccc(C(C)(C)CC)cc2)CC1 1644541098 MGCDQAPGUVNPPU-UHFFFAOYSA-N 257.421 4.526 30 10 CJEE 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CCCC(C=O)(CCC)CN(C)[C@H]1CC(C)(C)C1(C)C 2205131539 AIFPUZSUYFPGQM-HNNXBMFYSA-N 281.484 4.528 30 10 CJEE C=CCCCCCC[C@](C)(O)c1ccc(F)c(F)c1F 2206900970 YGOFBVQXMDFLGN-INIZCTEOSA-N 286.337 4.838 30 10 CJEE CCCC[C@H](C)CCC(=O)[C@H](C#N)c1ccccc1F 2206998625 NPDXQWUGMSXKKW-DZGCQCFKSA-N 275.367 4.608 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@H]1CC=CCC1 2207382019 NLQRGVKYGMJISV-FUHWJXTLSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](CC[C@H]1CCCO1)NC 2207406700 ZRYJGTUMKRVNEE-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN[C@H]1CO[C@@](C)(CC)C1 2207430218 RRBPUADVZPCCGS-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1CCO[C@H]1CC 2207432707 RJISASDZUHSVGD-BZSNNMDCSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)C1CCC(C)CC1 2207444671 LFVPTWNMNMEJTM-ABHNRTSZSA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCCCOC[C@@H]1NCCC[C@H]1C 2207448783 NILGDPPLEHYSNS-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2216915714 LSNJTSLURJKWNQ-GFCCVEGCSA-N 276.182 4.749 30 10 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C=CCCCCCCC[C@@](C)(N)c1nc(C)c(C)s1 2227273847 ROYODZADWIJNBD-MRXNPFEDSA-N 280.481 4.851 30 10 CJEE C=C1CC([C@H](NCCC)c2ccc(F)c(C)c2Cl)C1 2227311053 HADYRFVUHFRFAF-INIZCTEOSA-N 281.802 4.794 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@]1(C)CC=C(C)CC1 2229039815 BZHIVMFHUIIHFI-WMZOPIPTSA-N 261.453 4.541 30 10 CJEE CC#CCCCC[C@H](CCCC(C)(F)F)NCCC 2229850490 DOJDZCRUQAORLU-OAHLLOKOSA-N 273.411 4.764 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1O 2230993850 HTQUQVGYLADVEE-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2231505790 SANBZPNJNGIPOG-CUSZFKRNSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)COC(F)(F)F 2231941631 RLRBLWDGJHLWHP-STQMWFEESA-N 283.378 4.640 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1OC[C@H]2CCCC[C@@H]21 2233173323 MRCNUAXQXLMTMZ-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2233782238 MDKYVJOXQFKBCY-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C=CCCCCOCc1cccc(CNC(C)C)c1Cl 2234033699 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283.868 4.896 30 10 CJEE C=CCCCCCCCSC[C@H](NC)C1(C)CC1 2259052041 SYKBHSJHBWEMKW-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(F)c(Cl)c1F 2259187158 JGKSWZFSNFBOKX-GFCCVEGCSA-N 274.738 4.788 30 10 CJEE C=C[C@H](NCC[C@H](C)CCCC(C)C)C1CCC1 2259639774 WUHXZISVQVROAP-WBVHZDCISA-N 251.458 4.783 30 10 CJEE C=C(C)CC[C@H](NCC)C1CC(CC(C)(C)C)C1 2261204704 XASBTHOCNFMQRL-GPANFISMSA-N 251.458 4.783 30 10 CJEE CCCCCCC[S@](=N)(=O)CC12CCC(CC1)C2 2261291547 YMQQHKAMCVCZAY-JMLCCBQJSA-N 271.470 4.584 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC[C@H](C(F)(F)F)C1 2264988575 IGBFOJPKGJJPQJ-RDBSUJKOSA-N 279.390 4.914 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1csc(C2CC2)c1 2267852893 KNHSTAILVIWMSZ-OAHLLOKOSA-N 275.461 4.716 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(OC)ccc2Cl)CC1 2268111937 OFSYVWLJSURUOO-INIZCTEOSA-N 280.795 4.519 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(F)cc(C)cc1F 2268228842 XZZRENLFAOITTA-BLLLJJGKSA-N 267.363 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1CCCCCCC1 2268754006 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WZEGMBLKUKIYHI-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CN(CCCCCCCS)C[C@H]1[C@H]2CCCCC[C@H]21 2277507125 HFPOXBLBPPWBIC-BJWYYQGGSA-N 283.525 4.625 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1nc2ccccc2s1 2277998765 NGESDBQAJCMMCV-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C=C1CCC1 2278177396 HFAZKHHMZCYHBG-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cc(C)ccn1 2278177528 IANPOZZULFZZQE-KRWDZBQOSA-N 262.441 4.705 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1OC 2278239767 MMZNERYZCVLVID-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1CC(F)(F)C12CCC2 2280882132 VDAKWJHZLXYGEL-SOUVJXGZSA-N 285.422 4.782 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2csc(C3CC3)c2)C1 2283080105 CQEHGULFUCGUSF-DOTOQJQBSA-N 289.444 4.769 30 10 CJEE C=C1CCC(C[C@@](C)(N)c2cc(Cl)ccc2OC)CC1 2283465718 LPIDDWRKZDFFIT-QGZVFWFLSA-N 293.838 4.659 30 10 CJEE CC(C)C[C@@H]1CCC[C@](N)(CC=CC#CC(C)(C)C)C1 2284098255 FRMHFCCBEACTKZ-PKOBYXMFSA-N 275.480 4.916 30 10 CJEE C=C(CNC(C)(C)C)COCC[C@@H](C)CCCC(C)C 2284875166 IDYQQYVHIYHUEV-INIZCTEOSA-N 283.500 4.800 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2CCC[C@H]2C(F)F)C1 2285550068 JIOSOOHOOUSTSQ-ZIAGYGMSSA-N 285.422 4.782 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2cccc(C(C)(C)C)c2)N1 2285743813 RBMFKKKTIBKKSU-KRWDZBQOSA-N 290.476 4.723 30 10 CJEE CCC[C@@]1(C)CSC(=NCC2CC(CC(C)(C)C)C2)N1 2290034802 UUJCHACXYJPGQG-KVULBXGLSA-N 296.524 4.700 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1[C@@H](N)C(C)(C)CCC1(C)C 2290326351 QSLQQIKJTXRUIE-JKSUJKDBSA-N 275.480 4.772 30 10 CJEE CCCCCCCC[C@H](CCC1CC1)OCCC(=O)O 2290631078 DAEMBIPWUVTUHM-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@H]1CCC[C@H](C)C1 2291770243 CCLQAJRLVYLKJZ-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CC[C@@H](C(C)C)C1 2291939199 CWNBJYPEPFIEGL-NVXWUHKLSA-N 284.440 4.643 30 10 CJEE C=C(CC)C[C@H](CCCCCCCC)OCCC(=O)O 2292130257 RRNTWHOODGLTRT-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCC[C@H]1CC 2292642104 RKBHKFAMIKSPME-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@](CCC)(OCCN)[C@@H]1CC1(C)C 2292908470 YSMVAFSNRUSFEP-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1ccccc1C 2293074497 RPDJUHYUYXFHQT-SFHVURJKSA-N 277.452 4.546 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)[C@@H]1CCCC(C)(C)C1 2293139327 QUNJVDFMZAOSBE-GVDBMIGSSA-N 281.484 4.539 30 10 CJEE C#CCCCC[C@@](C)(CCCCCCCC)OCCN 2293362706 GZUZJUSGJODEIK-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@@](CC)(CCC(F)(F)F)OCCN 2293680406 ZQHIKQWJZOEYBV-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CCCCCCCC[C@H](OCCN)c1cscc1OC 2293719855 HNIFZGCBBHVHCR-HNNXBMFYSA-N 299.480 4.524 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCN)c1ccc(C(C)(C)C)s1 2294244175 YMFUQLYXXVCOJM-CZUORRHYSA-N 295.492 4.664 30 10 CJEE Cc1c(C)c(C)c(C[C@@]2(C=O)CC=CCC2)c(C)c1C 2294720751 HIEYZCYOXNGRHX-LJQANCHMSA-N 270.416 4.697 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1nc(CCC)ns1 2295592323 PNCGQMWFKZAFCT-MRXNPFEDSA-N 298.496 4.839 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1COC2CC1C2 2295680936 BPLLOZSYCWAZBW-ZLZJIPBDSA-N 281.484 4.530 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(OC(F)F)cc1 2295979677 BSKCLJIRHHRKAH-SWLSCSKDSA-N 283.362 4.541 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1ccc(Cl)c(Cl)c1C 2301231229 WQVSRKZMIBVDLL-XPTSAGLGSA-N 273.203 4.938 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1[C@@H](C)C1(F)F 2308295183 YJACLYMXBAHRHW-MGPQQGTHSA-N 261.400 4.746 30 10 CJEE CCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@@H]2F 2308597383 IRHDWJQZVPVDGO-YHUYYLMFSA-N 255.421 4.593 30 10 CJEE CC[C@](C#N)(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)C(C)C 2310495597 ZEAHSUSLTLNVTD-RFQIPJPRSA-N 255.352 4.634 30 10 CJEE C=CC[C@@H](C)Sc1cccc(C)c1CNCCC 2313705252 RPESTEXQPXWMCD-CQSZACIVSA-N 263.450 4.551 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CCC2(F)F)CC1 2313723089 QPQSGAKKSJBBGH-OCCSQVGLSA-N 258.352 4.597 30 10 CJEE CCC[C@H](CS)COC[C@@H]1C[C@H]2CCC[C@H]1CC2 2316870885 VMCCTDXSLFMFON-VGWMRTNUSA-N 270.482 4.566 30 10 CJEE CCCCCCC[C@H](C)NC1C[C@H](C)S[C@@H](C)C1 2317712320 YEJFVYUVDXRYMO-KKUMJFAQSA-N 271.514 4.998 30 10 CJEE C#CCCCCOc1ccc(C(F)(F)F)cc1Cl 2318485149 ACASHCBLIYNYPG-UHFFFAOYSA-N 276.685 4.541 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C=O)CCS[C@H](C)C2)CC1 2320407996 GXYAFFOPVGQBRJ-OAGGEKHMSA-N 266.450 4.614 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(F)c(C)c1Cl 2321102000 NHHQTOILGVQIKZ-HUUCEWRRSA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC(C)(C)C1)NC 2321133886 JSQZZFSFAFVHTG-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C=CCCCCCNCc1cc(F)c(Cl)cc1Cl 2325259962 GPYXTLONBQCRDZ-UHFFFAOYSA-N 290.209 4.969 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2327874166 YCIZVDCOKBOBTH-VXGBXAGGSA-N 284.230 4.754 30 10 CJEE CC(C)C[C@@H](CS)COCCCC1=CCCCC1 2328527636 KFDAZGPHPLZREL-MRXNPFEDSA-N 270.482 4.876 30 10 CJEE CCCCCCCC(=O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329800458 DOMDDXNYRZQNBV-YUELXQCFSA-N 272.379 4.988 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2333327237 RGUFLEWMXXPSRX-XGUBFFRZSA-N 271.395 4.522 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H]1OC 2335075528 DHRYAPHMNWTVKU-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@@H](NC)c1c(F)ccc(C)c1Cl 2335568895 RGVYHHBVWYZMHF-CQSZACIVSA-N 281.802 4.632 30 10 CJEE CCCCCCCN(C)c1cc(Cl)c(F)cc1C=O 2337288469 XINUDCGIHYIUDS-UHFFFAOYSA-N 285.790 4.698 30 10 CJEE CC(C)[C@H](O)C(C)(C)CC1(C#N)CCC(C)(C)CC1 2340514597 VPBHKXQNBPDQMW-AWEZNQCLSA-N 265.441 4.530 30 10 CJEE Cc1ccc(OCC2CCCCCCC2)c(C#N)c1 2342894853 ZCXDTVVRZZJEEI-UHFFFAOYSA-N 257.377 4.606 30 10 CJEE C#CCCCCC[C@H](N)c1cccc(C2CCC2)c1 2343781760 QXUNZRYXGSTPLL-SFHVURJKSA-N 255.405 4.538 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@@H]1C[C@@H]1C1CCCCCC1 2344379350 OGCOIRHZZLYEEJ-GVDBMIGSSA-N 263.469 4.913 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2353846711 SXEQILIXNIUMAE-HRCADAONSA-N 285.541 4.583 30 10 CJEE CC(C)C[C@@H](CS)CN(C)C1CC(C)(C)C(C)(C)C1 2353847190 XAVZXPRYYTVRPT-CQSZACIVSA-N 285.541 4.725 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]2CC[C@H]1O2 2358321850 GEUDBEXMTKKMDE-WNRNVDISSA-N 280.452 4.612 30 10 CJEE COc1ccccc1C(=O)/C=C\c1cccc2ccccc12 33469861 NOMDZQUKCWKESA-YPKPFQOOSA-N 288.346 4.745 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC)C2CCCCC2)C1 35250510 MKZBDMSEVSZSIB-JFIYKMOQSA-N 276.468 4.750 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](Sc2ccc3c(c2)CCC3)C1 37156456 GMOVLPWTRCQORI-XGWLTEMNSA-N 271.429 4.596 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Cc2ccccc2)cc1 41357516 RSSSPJHTOSPOJP-KRWDZBQOSA-N 263.384 4.834 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)ccc1Cl 54822977 GHRPXNNAVQHRQH-GXFFZTMASA-N 283.202 4.878 30 10 CJEE Cc1ccccc1[C@H](C#N)CCCCOc1ccccc1 57686778 DSWGVKWSRLNIAX-KRWDZBQOSA-N 279.383 4.852 30 10 CJEE Cc1cc(C)cc(OCCC[C@H](C#N)c2cccc(F)c2)c1 57688536 OUVOSSJJMWYFGQ-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE CCCCCCCOc1ccc(CNCCC)cc1 59178698 MKJKHSOYPBTSHT-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCCCNc1cc(C(=O)OC)ccc1C 59423049 ZYPKBCSPBMYEOQ-UHFFFAOYSA-N 277.408 4.554 30 10 CJEE Cc1ccc(C#N)cc1NCc1[nH]c2ccccc2c1Cl 70374970 FVYZABHRNQAAPX-UHFFFAOYSA-N 295.773 4.614 30 10 CJEE CCCn1c(Cl)c(C#N)c2ccc(Cl)c(C)c21 71466145 DLCDGEHPYNJRKO-UHFFFAOYSA-N 267.159 4.538 30 10 CJEE CCCCCCCCCCCCOC[C@@]1(C)CO1 78169659 NJOVSBZEPGTWQD-INIZCTEOSA-N 256.430 4.713 30 10 CJEE C=CCCC[C@H](CSc1ccccc1)NCCC 87162802 IKPRIRFGIPKLPT-OAHLLOKOSA-N 263.450 4.503 30 10 CJEE CCN[C@H](C)c1ccc(SCCCC(C)(C)C#N)cc1 87607220 GFXWXCKRBHRDCL-CQSZACIVSA-N 290.476 4.779 30 10 CJEE Cc1cccc(CC2(C#N)CCC(C(C)C)CC2)c1 87960319 SITJOHYSZUDLIR-UHFFFAOYSA-N 255.405 4.894 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCCOc2ccccc2)C1 87972397 CFGZSZCSYOFWBK-SJLPKXTDSA-N 271.404 4.956 30 10 CJEE CC#CC[C@@H](NCCC)C1CCC(C(C)(C)C)CC1 87988194 OXURSXODTOJHFV-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCCC[C@H]2CC)CC1 91886089 NBHWTXCEAQKSFA-GPQLOAJWSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CCC[C@@H](OC[C@@H](CS)c2ccccc2)C1 94585863 QTWOBXNODKUVRA-HYVNUMGLSA-N 278.461 4.685 30 10 CJEE O=[N+]([O-])c1ccc(SCC2(CS)CCCCC2)cc1 94588953 IUFOAQRLOSEOTO-UHFFFAOYSA-N 297.445 4.567 30 10 CJEE C=C(CC)COc1ccc2ccccc2c1Br 97208096 CUIBSYFQYZGCRE-UHFFFAOYSA-N 291.188 4.947 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccc(F)cc2C)cc1C 103030778 BECJMWNJTXDRJX-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CCCc2ccccc21 104153963 WVWNMDXHNWLWES-MSOLQXFVSA-N 259.437 4.794 30 10 CJEE C[C@@H](CCS)c1ccc(OCc2ccccc2)cc1 107578670 BRWPEARHMCKQEQ-AWEZNQCLSA-N 272.413 4.689 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)CCS 107616273 MPJPKTSEMINDNH-CQSZACIVSA-N 286.440 4.997 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(C#N)Nc1ccc(F)cc1 110028543 KUSYHZHPWSWBDI-KBRIMQKVSA-N 274.383 4.592 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)c2ccc(C(F)(F)F)cc2C#N)C1 110255272 SQSNIRIGMAYIDB-BXUZGUMPSA-N 296.336 4.592 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)cc1Cl 110255477 QCWHHRNGNQPYAX-LLVKDONJSA-N 250.773 4.592 30 10 CJEE CCCCCCCCCNCCOC1CCCCC1 111890850 LEUPTEJXADSJHX-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCCCCn1cc(CN)c(C)n1 112930667 CGWGEOMHTLQZIT-UHFFFAOYSA-N 279.472 4.571 30 10 CJEE CCCCCCC[C@H](O)CSc1ccccc1 114869951 PONSTQWYCRDETB-AWEZNQCLSA-N 252.423 4.500 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccsc1 115063766 AWAVVEUVXHPPCB-OAHLLOKOSA-N 253.455 4.759 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@H]1[C@@H](C)CC 115221588 VCIXAQLAANLOGB-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCC(=O)N(CCO)CCCC 115858813 NFFPKEZBNIWZSX-UHFFFAOYSA-N 299.499 4.528 30 10 CJEE CCCCCCCCCCCC(=O)NC(CC)(CC)CN 115859351 LYYXAEQQCVFZRP-UHFFFAOYSA-N 298.515 4.541 30 10 CJEE CCCCCCCC[C@H](NCC)C(C)(C)N1CCCC1 118144453 CICKYDMHEJWNMF-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCn1ccc([C@H](C)NCC)c1 118239879 SNRNHVJFNFEZGB-HNNXBMFYSA-N 250.430 4.519 30 10 CJEE CCCCCCCCOCc1cc(Cl)ccn1 118513121 AERQDXGDXIWTGN-UHFFFAOYSA-N 255.789 4.612 30 10 CJEE CCCCCCCCCC[C@H](NN)c1coc(C)c1 122670839 VFOQCOQNTNYGQS-INIZCTEOSA-N 266.429 4.623 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(F)cn1 125726173 WMXGMQGAEGQURV-MRXNPFEDSA-N 267.388 4.785 30 10 CJEE C=CCC[C@@H](NCC)c1cc(Cl)ccc1Cl 129018618 WRAHUSZXQBPMRB-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 135319574 WWGZVBMVCCGYIJ-LSDHHAIUSA-N 288.522 4.933 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 156229022 QKTKFCYCSJHCLM-XHSDSOJGSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCNc1nc(C)nc(NC)c1C 157454643 RJVCBPMAFZKCLI-UHFFFAOYSA-N 292.471 4.688 30 10 CJEE CCCCCCCCN1CCCc2cc([C@H](C)N)ccc21 162207675 DZFZYGMFLDWSGM-INIZCTEOSA-N 288.479 4.819 30 10 CJEE C[C@H]1CC[C@](C#N)(Nc2ccccc2F)c2ccccc21 163866899 AUQSNRNJLBGWHP-SCLBCKFNSA-N 280.346 4.554 30 10 CJEE CC[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 164144888 LSPCWVGQYNJRQN-MFKMUULPSA-N 282.309 4.568 30 10 CJEE C=C(C)CC[C@H](NCCC)c1nccc2ccccc12 164596631 JOELQLCYWGWMFK-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CC#CCC[C@@H](NCCC)C(CC)(CC)c1ccccc1 168136670 NDASECXWSLCBJS-LJQANCHMSA-N 285.475 4.916 30 10 CJEE C=CCCC[C@@H](O)c1ccc(-c2ccccc2)cc1 169129795 AWHIRKXSDJPLBN-GOSISDBHSA-N 252.357 4.743 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccsc1 189909551 FGOTVCNKXYMJRQ-UHFFFAOYSA-N 299.439 4.781 30 10 CJEE CCOc1ccccc1/C=C\C(=O)c1ccc(CC)cc1 216698457 SMAQXNKMVNRRCM-YPKPFQOOSA-N 280.367 4.544 30 10 CJEE CCCCCCCCC(=O)N(CC)C1CCCCC1 224428256 NUASMUXBOTWXBR-UHFFFAOYSA-N 267.457 4.918 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2ccccc2O1 229096981 ZBYYYSOKRYRPRI-RDJZCZTQSA-N 261.409 4.588 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CN)CCC[C@@H](C)C1 232934708 UJIOMIQKOREJKN-SQNIBIBYSA-N 283.500 4.643 30 10 CJEE CCCOCCC1(C#N)CCC(C(C)(C)C)CC1 233224834 NSLNEWXQFHPPHZ-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE Cc1cccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1C#N 235924336 LXXWLCBVDZUXMF-NVXWUHKLSA-N 270.420 4.884 30 10 CJEE N#CC1(c2cccc(OCc3ccccc3)c2)CCCC1 260347580 FRGFRHWJYHOUSQ-UHFFFAOYSA-N 277.367 4.601 30 10 CJEE Cc1ccccc1[C@H](C)Nc1c(C#N)cnc2ccccc12 301122589 YUXXYOAUTIJKQH-AWEZNQCLSA-N 287.366 4.588 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCCC(F)(F)C1 302390742 PIUPNOXQZIAGIE-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(C)cc1 308053171 ICZXVHMPZILWDK-IRXDYDNUSA-N 271.404 4.634 30 10 CJEE 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258.405 4.786 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccccc1C1CCC1 2338725791 UYQNZJUIDUTKNB-GOSISDBHSA-N 256.389 4.756 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1CCCCC(F)(F)C1 2338731198 YBKOCWDRHVZLCY-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@@H](CC(C)(C)C1CC1)NCCC 2338740858 JAHJYRASEKBRCZ-QGZVFWFLSA-N 263.469 4.949 30 10 CJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C(CCC)CCC 2339565343 HFILUQLSCCCPAO-DLBZAZTESA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](C#C[C@H]1CC1(C)C)NCC 2339570779 ZLIDRSYPXXQNBO-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@H](C)[C@H](C)N1 2341809483 RFDXYLMUDMHTNF-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=C1C[C@@H]1[C@@H](CC1CC(CC(C)(C)C)C1)NCCC 2341891505 CXIUCGAGEHBWDO-SJJHQCBESA-N 263.469 4.783 30 10 CJEE CCC=CC(=O)C[C@@H](c1ccccc1)C1CCCC1 2342569613 ZKFUBQFDEPRXBV-SFHVURJKSA-N 256.389 4.886 30 10 CJEE C=C1CC(NCCCC2=CCCCC2)(C(F)(F)F)C1 2342785189 NFHJSVHAAMAVFD-UHFFFAOYSA-N 273.342 4.508 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cccc(Cl)c1)NCCC 2344336513 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CCCCCCCCOc1ccc(CNC(C)C)cc1 59128495 QESFKAMFNMDCGP-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE CCCCCCCCOc1c(CNC)cccc1OCC 59178895 FUSIKODMQRSQEH-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCC[C@H](CC)Nc1ccc(Cl)c(C#N)c1 69372892 LUXYHUVTPBDNNI-LBPRGKRZSA-N 250.773 4.592 30 10 CJEE N#Cc1cc(Nc2ccc(F)c(Cl)c2)nc2ccccc12 70078942 AXMFBPYCMCMMEE-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C=CCCC[C@H](NC)C(c1ccccc1)c1ccccc1 71276659 NQXWYFXWYKVCFE-IBGZPJMESA-N 279.427 4.763 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1ccccc1Cl 71390551 SLEWWGSVSJIOJI-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCn1c(Cl)c(C#N)c2cc(CC)ccc21 71465145 MADWOPXXUDFQFR-UHFFFAOYSA-N 260.768 4.529 30 10 CJEE Cc1ccc2c(C#N)c(Cl)n(Cc3cccc(F)c3)c2c1 71466411 VNVZIABQYIIBRA-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE CC[C@@H](CS)CSc1ccc(C(C)C)cc1 87096333 VKGPDYFHZGZIOO-LBPRGKRZSA-N 254.464 4.858 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@@H](CS)C(C)(C)C)C1 87098031 WXUSUHOUMDMZGT-UPJWGTAASA-N 260.512 4.890 30 10 CJEE CCCC(CS)(CCC)CSc1nccs1 87098477 RUJFGDXLSDIDCW-UHFFFAOYSA-N 275.508 4.752 30 10 CJEE N#CC1([C@@]2(O)CCCC[C@@H]2C2CCCCC2)CCCCC1 91876077 HBOFLOLWPYGZMQ-IEBWSBKVSA-N 289.463 4.962 30 10 CJEE CC[C@H]1CCCC[C@@H]1OCC1(CS)CCCCC1 94583630 KWKNVPVPGZHPTP-GJZGRUSLSA-N 270.482 4.852 30 10 CJEE CN(CCCCCCCCCS)c1ccccc1 97799152 KSBJVEWUTPJJHW-UHFFFAOYSA-N 265.466 4.783 30 10 CJEE CCCCCCCNC(=O)c1c(Cl)cccc1Cl 105553636 YALOXNPVLMULES-UHFFFAOYSA-N 288.218 4.694 30 10 CJEE CCCCCCCCCCNCCOc1ccccc1 105838612 GEHSEFGMZSXJPW-UHFFFAOYSA-N 277.452 4.796 30 10 CJEE CCCCCCCCCCCCN[C@@H](C(=O)OC)C(C)C 109671620 NTHCTKRGARSSHJ-QGZVFWFLSA-N 299.499 4.695 30 10 CJEE CCCCCCCO[C@@H](c1ccccc1F)[C@H](N)CC 109987594 BDFFBSIASKVULD-SJORKVTESA-N 281.415 4.591 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@](C#N)(Nc2ccc(Cl)cc2)C1 110028579 RZQPNIBCGPXWLA-WBMJQRKESA-N 276.811 4.860 30 10 CJEE N#Cc1c(Cl)cccc1O[C@@H]1CCCc2ccccc21 110259998 DTQCGUCQIDKLQB-MRXNPFEDSA-N 283.758 4.668 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](SCc2cccc(C)c2)C1 110354999 FPXSYVYHRZLHPY-USXIJHARSA-N 273.445 4.947 30 10 CJEE N#Cc1ccc(Oc2ccc(N)c3ccccc23)cc1Cl 111128200 JTFWJWIEHSYSRZ-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCC[C@H](CNCCOC)CC(C)C 113032359 ZEIYBTZAKUSPMV-KRWDZBQOSA-N 271.489 4.635 30 10 CJEE CCCCCCCCCN1CCC(=O)c2ccccc21 113831295 CLFMUZAXLRGFSK-UHFFFAOYSA-N 273.420 4.830 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1[C@H](C)NC 115854933 BSIGZISOCDQVMI-HNNXBMFYSA-N 290.451 4.656 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc2c(c1)COC2 115857264 VMEZDRLNLMEYMY-SFHVURJKSA-N 275.436 4.728 30 10 CJEE CCCCCCCC[C@@H](CCCc1ccccc1)NN 122420326 RQZZVMFDMHVFMG-SFHVURJKSA-N 276.468 4.592 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCc2ccccc21 126870978 QDCQKXZYTZLFAG-MOPGFXCFSA-N 288.479 4.689 30 10 CJEE CCCCCCCC[C@@H](CSc1cccc(C)c1)NN 126951988 KMVSGYTYPDGQSW-INIZCTEOSA-N 294.508 4.670 30 10 CJEE C=CCN(c1ccccc1[C@@H](CC)NCCC)C(C)(C)C 127795435 XKBLJUJZUXYTJI-QGZVFWFLSA-N 288.479 4.928 30 10 CJEE C=CCCC[C@H](NCCC)c1sccc1Cl 128869775 CQDWONBEYYEWEP-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE C=CCC[C@@H](NCC)c1c(Cl)cccc1Cl 128956672 HMPDFXHOGTUSHJ-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE N#Cc1cc(Sc2cc(Cl)ccc2Cl)ccc1N 131726471 VATMLKBFEUFMRA-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCC[C@@H]1CSC[C@@H]1NCCC 134624066 CDLPFRYFVFWPNU-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCSC1 139460612 HIZOEOJAWFYQMM-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCC[C@H](COC(C)C)NC 143409367 MRCWOQFZLUJQJU-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CC[C@H](C)O1 159028761 HSQXNKJNJUFYJK-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE N#Cc1ccc(NCc2c(Cl)oc3ccccc23)cc1 164437012 JRIOLLKZRDJFDU-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164491147 ICHRICSNZFWMMA-IAQYHMDHSA-N 297.320 4.925 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(F)c(Cl)c1 164588821 MCIGYYDJHBYKQG-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(Br)c(C)c1 167692962 KSOLSNUEDMVVPY-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NC 167709278 LYJQTALESXUUNF-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@@H](CC)C2)CC1 218593431 PUKYWGLBMWGAJV-ZJPYXAASSA-N 277.452 4.818 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(C)(C)CC2)C1 222806512 WFULNVLICXKDFN-BBWFWOEESA-N 290.495 4.853 30 10 CJEE N#Cc1cc(F)cc(Nc2ccc(Cl)cc2Cl)c1 227604467 FNWQRFZSGVLBBZ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C(C)C)n[nH]1 228362702 BFQWXYYCKQUADE-UHFFFAOYSA-N 279.428 4.612 30 10 CJEE CCCCCCCCCOc1ccc(C(N)=S)cc1F 232345765 QFPOIFQHDDXTMI-UHFFFAOYSA-N 297.439 4.589 30 10 CJEE CSc1ccc([C@H](C)Nc2cccc(C)c2C#N)cc1 235090695 LQECZMRYQKVRHE-ZDUSSCGKSA-N 282.412 4.762 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1csc(Cl)c1 235516176 SNDVJGMDPWZVRF-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cc(C)c(C)cc2C)c1 235920035 UHRWZLVCWBOKMF-SFHVURJKSA-N 264.372 4.597 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CCc2ccccc21 236399819 ZFNOFOIOBFYDTF-QGZVFWFLSA-N 254.373 4.566 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2Cc3ccccc3S2)C1 252641677 MCRUQKQESITHJG-UNEWFSDZSA-N 271.429 4.814 30 10 CJEE CCCCCOc1c(C(C)=NO)ccc2ccccc12 252672907 DVRFVSCDRYEOKD-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE Clc1ccc(N=Cc2cccs2)c(Cl)c1 254404473 APRAPDOMLVHJPR-UHFFFAOYSA-N 256.157 4.806 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@H](O)C2(C#N)CCCCCCC2)C1 300158593 NRPPKLMGAGNMAU-XIRDDKMYSA-N 275.436 4.594 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCc3cc(Cl)ccc32)c1 308124013 VBORKZFXYJDCBO-KRWDZBQOSA-N 282.774 4.620 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(C)s1 310378838 BTIIYBFXSLGKPV-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE CC(C)(C)CC[C@@](C)(C#N)Nc1cccc(Cl)c1 310885655 WFFKOLHOFZFLIG-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE C[C@H]1C[C@@H](n2ccc3ccc(C#N)cc32)CC[C@H]1C 311268071 SOZPCLJZTJVXQD-WWGRRREGSA-N 252.361 4.510 30 10 CJEE N#CC[C@H]1CCCC2(CCC(c3ccccc3)CC2)O1 312594357 DFEOXOSBXWCSGF-LXPRWKDFSA-N 269.388 4.566 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC23CCCCC3)cc1F 312991748 NCTKPRJILNKIKQ-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@]2(C=O)CCCc3ccccc32)C1 316516630 XUUIKTMXDCHEAU-SZVBFZGTSA-N 270.416 4.676 30 10 CJEE CCCCCCCCc1nc2c(Cl)ncnc2s1 318649031 QDWYFZNNTDSXIJ-UHFFFAOYSA-N 283.828 4.643 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCc2ccc(OC)cc2)C1 383379480 SMBVVANTYIVSCC-YJBOKZPZSA-N 271.404 4.738 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H]1CCOC2(CCCCC2)C1 384820541 FAZZJZIIFXNIAF-JFIYKMOQSA-N 275.436 4.836 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccc(C(F)(F)F)cc1 385001895 MBGULOWVDJOPCE-FZMZJTMJSA-N 267.294 4.677 30 10 CJEE N#CC[C@@H](Nc1cccc2ccsc12)c1ccccc1 386410812 JPEXYLLIRWIYIA-OAHLLOKOSA-N 278.380 4.968 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2coc(Br)c2)C1 393535564 QQOZMHWISXQNQE-FZMZJTMJSA-N 296.208 4.695 30 10 CJEE CCCCCCCCCCCC[C@@H](O)Cn1cccn1 396060601 HDPDLVFKVKZWIC-QGZVFWFLSA-N 280.456 4.555 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(CC(C)C)cc1 398169615 KTVCDAUNFOYFCR-MRXNPFEDSA-N 259.437 4.720 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(SC)cc1 398190104 RDNURSYRSBADPM-UONOGXRCSA-N 263.450 4.804 30 10 CJEE C=CCCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2O 398213825 KUNFLZPSYMEWJL-SUMWQHHRSA-N 275.436 4.720 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H](N)C12CCC2 405233244 RPAMNFHZHBGYIF-HOCLYGCPSA-N 255.421 4.737 30 10 CJEE C=CCCc1ccccc1NC(=O)CCc1ccc(F)cc1 410353451 LUMXWNKMBDFLRT-UHFFFAOYSA-N 297.373 4.516 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 467814328 VWMFMQNAOJBLHA-OALUTQOASA-N 297.442 4.597 30 10 CJEE C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 527348711 AMNNRCHCXIHRSB-YSSFQJQWSA-N 290.410 4.545 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 561089502 MAWLCERIDZSHIS-OAHLLOKOSA-N 294.398 4.598 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CC2CCC1CC2 686695290 WDZLZUYINTXZCG-CSODTCANSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1(CC)CCCC1 686696138 VRZUVJVQKHTIIG-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE CC(C)(C)C#CC[C@H](O)C1CC(C)(C)CC(C)(C)C1 688343002 BPXKRLBPGININD-HNNXBMFYSA-N 264.453 4.639 30 10 CJEE C[C@@](O)(CC1CCCCC1)C1(C#N)CCCCCC1 689823220 SHVISUPDXMJRKA-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE C=CCC1(NCc2cc3cscc3s2)CCCC1 693940119 NYCCKZNQFKMHBK-UHFFFAOYSA-N 277.458 4.941 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cc2cscc2s1 693959798 PRVYLSUGZITAMD-GFCCVEGCSA-N 288.372 4.779 30 10 CJEE CC[C@@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C(C)C 698357666 GKGLKEFKAVGJBO-RHSMWYFYSA-N 296.455 4.740 30 10 CJEE CCC(CC)(CS)CN1C[C@]2(C)CC[C@@H](C2)C1(C)C 699359049 QUWYWUCBMZLLBL-GOEBONIOSA-N 283.525 4.623 30 10 CJEE CC[C@@H]1N/C(=N/CC2CC(C)(C)CC(C)(C)C2)S[C@H]1C 699427475 DZIBXAJNRWRAJQ-JSGCOSHPSA-N 296.524 4.698 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nc(C)cs1 701899448 SWKXXYCBAXUZMZ-HNNXBMFYSA-N 269.454 4.800 30 10 CJEE CCCCCCCCCCCc1ncc(CNCC)o1 703710932 VIGHAPBVNJGVNK-UHFFFAOYSA-N 280.456 4.857 30 10 CJEE CCCCCCCC[C@@](C)(N)COc1ccccc1 704493997 RLCVIJDBGHRQST-QGZVFWFLSA-N 263.425 4.533 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](N)C1CC1 708517614 QWWGFWUOEPSGIA-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CC(C)(C)[C@@H](CS)CN1CCC(C2CCCCC2)CC1 708823071 QLWOXFWPIGRNEZ-QGZVFWFLSA-N 297.552 4.871 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)c1cccc(Cl)c1C#N 709246859 YVSDIIUFNOUXSD-DOMZBBRYSA-N 276.811 4.617 30 10 CJEE CC[C@@H]1CC[C@H](/N=C2/NC3(CCCCCC3)CS2)[C@@H]1C 713212257 ARAXBJYQFMXVPZ-KFWWJZLASA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCCCNC1CC(COC)C1 713946288 RBAXQPNSBSWDST-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@H](O)c1csc(C(F)(F)F)c1 718685053 BRLLOOVKKJDDKN-NSHDSACASA-N 278.339 4.937 30 10 CJEE C[C@@H](COCc1ccccc1)CC1=CC(=O)CC(C)(C)C1 719181648 GDZYGCNYDFPTTH-OAHLLOKOSA-N 286.415 4.545 30 10 CJEE C=C1CCC(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 724548997 KKJHBYAEYRFVQR-SOLBZPMBSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](N)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 724608081 SEFIGMKCJFDLST-KKUMJFAQSA-N 289.385 4.819 30 10 CJEE N#Cc1c(OC(F)(F)F)cc(C(F)F)c2ccsc12 725291430 OYPZHQQKKRCXEY-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=CC[C@H](OC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1 797960740 BDPVSMVRPWLQFB-HIFRSBDPSA-N 294.341 4.673 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 1148070495 ZCVTWTWERQTHEQ-NZSAHSFTSA-N 299.458 4.774 30 10 CJEE C=C(C)CCNc1nc(-c2ccccc2)c2ccccc2n1 1163347307 XLHNKLMOSZPLSI-UHFFFAOYSA-N 289.382 4.675 30 10 CJEE C=C(CSc1cc(C(C)(C)C)ccc1C)C(=O)OCC 1164538106 YWLRJJLMGHREFQ-UHFFFAOYSA-N 292.444 4.504 30 10 CJEE C=CCCCCN(C)C1CCC(C(C)(C)C)CC1 1167227563 SVIZKAYWGGGIOA-UHFFFAOYSA-N 251.458 4.879 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc2scnc2c1 1179142735 LQRIWIYHYHQDIP-GJZGRUSLSA-N 286.444 4.521 30 10 CJEE C=C(C)CCN1CC[C@H](C)C[C@H]1c1ccc(CC)o1 1191258990 QYRGXRRWWVLIPF-HOCLYGCPSA-N 261.409 4.581 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccccc1SCC 1198414459 SACZRSUQUINDBS-MRXNPFEDSA-N 275.461 4.729 30 10 CJEE C=C(C)COc1cccc(NC[C@H]2CCCC[C@@H]2C)c1 1201186175 PFFCBSJTHYXBIR-JKSUJKDBSA-N 273.420 4.880 30 10 CJEE C=CCCCCC[C@@H](C)NCCC1CC(F)(F)C1 1206160377 ZGGKKQVWPGFKCK-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 1207494431 ZQELVCGQCTUJLQ-PMACEKPBSA-N 283.459 4.734 30 10 CJEE C=CCC1(C(=O)N(CCCC)CCCC)CCCC1 1264431821 ZTBMXXAZEPZHGN-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCCCCCCc1ccccc1 1279522590 RTPHCXBWCUMTGO-IBGZPJMESA-N 287.447 4.508 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1coc2cc(C)c(C)cc12 1288554368 ZBZOODKQUVDLLU-UHFFFAOYSA-N 299.414 4.772 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1c1c(C)cccc1C 1437579008 BTNNRBAMIBYBMC-SJORKVTESA-N 285.431 4.569 30 10 CJEE C=CCC1(NC(=O)c2cc3ccccc3cc2F)CCCC1 1437729253 LJIPMQLDQBVSFE-UHFFFAOYSA-N 297.373 4.598 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)c1ccccc1F 1459347733 NXKZXTVVUOEACR-AWEZNQCLSA-N 287.353 4.714 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1460883713 VPBDUDIQYUZNTB-RYQLBKOJSA-N 299.458 4.677 30 10 CJEE C=CCC1(CN[C@H]2CCC(C)(C)C[C@@H]2C)CCCC1 1462235752 WMDHUHIDVMVBOE-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CC=CC[C@H]1C(F)(F)F 1474678529 VSGGSONKGOFAFN-MGPQQGTHSA-N 275.358 4.608 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCSC(C)(C)C1 1474725268 AXIHDXJBCXETFP-LSDHHAIUSA-N 269.498 4.775 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(OCCC)c(Cl)c1 1516993418 SGQZDTYYZYBZQP-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1520010464 AYTABOZZCWYDHQ-JFRXWTBNSA-N 299.458 4.882 30 10 CJEE C=CC(C)(C)CNC(=O)CC1CCC(C(C)(C)CC)CC1 1521352053 ULQZTZPXXJIGNA-UHFFFAOYSA-N 293.495 4.948 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1524652813 RMQYFNJTDRHFPM-LJQANCHMSA-N 294.398 4.598 30 10 CJEE C=CCN(C(=O)c1cc2cccc(Cl)c2s1)C(C)C 1524768181 LFKIXOVJVKJBCY-UHFFFAOYSA-N 293.819 4.591 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](CC)c1ccc(F)cc1F 1527500337 RJWNEERQWAUNJS-INIZCTEOSA-N 294.341 4.728 30 10 CJEE C=CCOc1ccc(COC(=O)CCCCC(C)C)cc1 1528437753 CDFOTTULSNGSGJ-UHFFFAOYSA-N 290.403 4.511 30 10 CJEE C=CCCCC(=O)O[C@H](C)c1oc2ccccc2c1C 1537173014 KTGZZIQLSUEING-CYBMUJFWSA-N 272.344 4.702 30 10 CJEE C=CCC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 1559189726 YBJDTQHYTYCFKT-UHFFFAOYSA-N 294.782 4.797 30 10 CJEE C=CCCCCCN1CCCC[C@H]1c1ccccc1OC 1559527377 CEZANCBMOLPFAK-SFHVURJKSA-N 287.447 4.969 30 10 CJEE C=CCCCN(CC)CCSc1ccc(Cl)cc1 1560204776 ZHCWFHHIJOPXHJ-UHFFFAOYSA-N 283.868 4.720 30 10 CJEE CCCCCCCCNCc1c(F)cc(C)cc1F 1560251656 YRDRBCBKRPVDKC-UHFFFAOYSA-N 269.379 4.723 30 10 CJEE C=CC[C@H]1CC[C@H](NCCOc2ccc3ccccc3c2)C1 1560281754 ZDSGVQOWCPZQTK-LPHOPBHVSA-N 295.426 4.553 30 10 CJEE C=CCC1(NC2CCC3(CCCCC3)CC2)CCOCC1 1560922969 NIPHFFMGYIAHMQ-UHFFFAOYSA-N 291.479 4.594 30 10 CJEE C#Cc1ccc(N[C@H](C)C2CCCCC2)c(Cl)c1 1561031152 HNVMSOMUWMPYID-GFCCVEGCSA-N 261.796 4.702 30 10 CJEE C=C[C@@H](CC(=O)OCc1ccc(C)c(F)c1)c1ccccc1 1584324681 HBHDPMQWVDLMGG-INIZCTEOSA-N 298.357 4.537 30 10 CJEE C=CC[C@@H](CC)Nc1ccnc(CSc2ccccc2)n1 1612371163 YKLIMMLEUKDFRE-CQSZACIVSA-N 299.443 4.536 30 10 CJEE C=CCCN1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1616426513 MEHNRSZULLXHOS-UTKZUKDTSA-N 291.438 4.641 30 10 CJEE C=CCCCCN(C)Cc1c(Cl)cccc1Cl 1641599612 YXIDFEFEZMOZQV-UHFFFAOYSA-N 272.219 4.782 30 10 CJEE 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CC(C)(C)C#CC=CC[C@@H](N)c1c(F)ccc(Cl)c1F 2284090073 SAUWCBMLMZGVMS-CYBMUJFWSA-N 297.776 4.614 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1COC2(CCC2)C1 2284755848 FUFMBERSDRAQEB-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCc1o[nH]c(=N)c1-c1cnsc1 2286993815 UVJHDQVOASELEC-UHFFFAOYSA-N 293.436 4.504 30 10 CJEE C=CCCCSc1cc(F)cc(F)c1CN[C@@H](C)CC 2287176778 ASZVDDGYIXVUMY-LBPRGKRZSA-N 299.430 4.911 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2cccnc2c1 2287408240 GOLFBAVZSHTPJB-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE N#CC1(C[C@@]23CCCC[C@@H]2CC3)Cc2ccccc2C1 2289138156 ZNIBMYUZXWJLII-MJGOQNOKSA-N 265.400 4.656 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(SC)cc1 2289696932 BGTBYOZMRVEJIX-GOSISDBHSA-N 287.472 4.643 30 10 CJEE CCN[C@@H](C#CC1CCCC1)[C@H]1CCCCC12CCC2 2289702940 GAZHUUMFLAEUSF-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCC[C@H](CS)CN(C)Cc1cccc(C(C)(C)C)c1 2290203267 VCQHUQAEEQPDCL-INIZCTEOSA-N 293.520 4.762 30 10 CJEE C=CCN(Cc1cccc(C(C)(C)C)c1)C1CCCC1 2290204407 HTSXXVZXAMQTAO-UHFFFAOYSA-N 271.448 4.915 30 10 CJEE C=CCCC[C@@H](OCCCN)c1ccc(C(C)C)cc1 2292737906 SNBVDAKPFBMVEP-GOSISDBHSA-N 275.436 4.573 30 10 CJEE C=CC[C@](C)(CC[C@H](C)CCCC(C)C)OCCCN 2292789570 HVPNRTJTYXHMTR-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1cc(C)c(C)s1 2292886346 WCCRHZRGLRDYTO-INIZCTEOSA-N 295.492 4.908 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1sccc1OC 2293001567 ZESOPDAFCVMJQM-OAHLLOKOSA-N 299.480 4.524 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1[C@H]2CCC[C@H]21 2293015688 SJJGUJFFRJSZTG-XWTMOSNGSA-N 281.484 4.517 30 10 CJEE C=C(C)C[C@@H](OCCCN)C1CCC(C(C)(C)C)CC1 2293049612 KHHZEGDHLYQXGB-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@H](CC1CCCCCC1)OCCCN 2294220561 DXCSMNIPJFURDB-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccnn1C(C)C 2295590559 VPVPHISGPAQESH-QGZVFWFLSA-N 280.456 4.812 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1CO[C@H](C)C1 2295682142 NAVUVWFWBWIVSH-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@@H]1CCC1(C)C 2295682480 QPJNSHRXVZDJDU-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE C=CCC(C)(C)COC[C@](C)(CS)C(C)(C)C 2307099707 CUOFUWUBIHRCMM-OAHLLOKOSA-N 258.471 4.588 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)C(C)(C)CC 2313523890 FWEZZEKCNVVBHA-HNNXBMFYSA-N 269.498 4.655 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)N)cc1C 2313701755 LTLBWVTUGCMFKE-CYBMUJFWSA-N 261.434 4.628 30 10 CJEE C=CCCCCCCC[C@H](O)[C@](C)(CC)C(F)F 2315000194 ZJJJEVFRCYRXGL-ZFWWWQNUSA-N 262.384 4.945 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@](C)(CC)C(F)F 2315001446 ISWWIEYHTXXUIE-KCQAQPDRSA-N 261.400 4.638 30 10 CJEE CCCCCCCCCC1C[C@@H]2CNC[C@H](C1)C2 2316018663 DZTUXEJULFAFLY-ALOPSCKCSA-N 251.458 4.763 30 10 CJEE C=C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2C)C1 2316697778 OENCAZFFUOMURF-GFCCVEGCSA-N 284.230 4.700 30 10 CJEE C#CCCCCC(=O)CCc1cc(Cl)cc(Cl)c1 2318640152 BHARRTLYNBQBTK-UHFFFAOYSA-N 283.198 4.689 30 10 CJEE C=CCCCCCCCCNN(CCC)CCC 2318660018 KVGOGFBPWISQRE-UHFFFAOYSA-N 254.462 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@H](C)C1)NCC 2321132527 ZJJSYFSOEMNTAJ-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(Cl)c(OC)c1 2335187902 MLUXDZKILYDZBI-GFCCVEGCSA-N 279.811 4.520 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)CC[C@H](C)OC 2336947308 RZYSJHNEFHHSQX-HNAYVOBHSA-N 291.501 4.599 30 10 CJEE C=C[C@@H](C)CNC(C1CCCCC1)C1CCCCC1 2338280078 WUSPBJNCSRZWKP-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2338667128 PWCULINPHIPUBG-CGTJXYLNSA-N 261.453 4.798 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CC12CCCCC2 2338750335 RGUBDMSRZKVGEO-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=CCCCCC[C@](C)(N)c1ccc(F)c(C)c1C 2340962600 DVWUQZVAXVWFPJ-KRWDZBQOSA-N 263.400 4.753 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2341886549 UCEFWWPBDZMAHJ-GXFFZTMASA-N 289.728 4.586 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC1CC2(C1)CC1(CCC1)C2 2344458076 UTAVXFDPIOFMDN-HNNXBMFYSA-N 262.437 4.700 30 10 CJEE CN(Cc1ccccc1Cl)CC1(CS)CC(C)(C)C1 2345006038 HWMYIEKLYIOCON-UHFFFAOYSA-N 297.895 4.508 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCC12CC2 2352834024 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COc1cccc(-c2ccc([C@H](C#N)C(C)C)cc2)c1 41381936 LATGJQMLWVUBPJ-GOSISDBHSA-N 265.356 4.625 30 10 CJEE Cc1ccc([C@@H](C#N)CCCOc2ccccc2C)cc1 57684767 HONBAOMKPLYYKN-GOSISDBHSA-N 279.383 4.770 30 10 CJEE CCCCCCCN[C@@H](C)Cc1ccccc1Cl 59422901 DFULMLIDGWMQJJ-AWEZNQCLSA-N 267.844 4.831 30 10 CJEE CSc1ccc(/C=N/c2ccccc2Cl)cc1 59513842 YYSNIMSELAYERY-MHWRWJLKSA-N 261.777 4.813 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86922564 BUADUVFOSKOWTJ-GDBMZVCRSA-N 256.393 4.575 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(NCc2cccs2)CC1 86959714 CXLLMROBXJDCIJ-YOEHRIQHSA-N 290.476 4.726 30 10 CJEE CCCC(CS)(CCC)CN1Cc2ccccc2C1 94577462 SOOKTQKTYVPXMG-UHFFFAOYSA-N 277.477 4.519 30 10 CJEE CCCCCCCc1n[nH]c(N)c1-c1ccc(Cl)cc1 106502709 WICWMSXRLVDKCC-UHFFFAOYSA-N 291.826 4.825 30 10 CJEE C#CC[C@H](CCC)c1c(OC)cc(C)c(Cl)c1C 107626151 XPKTYXYTZDPQTC-CYBMUJFWSA-N 264.796 4.872 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1C(F)(F)F 110167451 FQXCYQVEBNOLCU-SWLSCSKDSA-N 296.336 4.898 30 10 CJEE Cc1ccc(C)c(Sc2cc(C)ccc2C#N)c1 110354111 OHSLXZZMWRHJCE-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCCCCCCOCCOCCC#N 111888856 DNKLKJXCTRNFBY-UHFFFAOYSA-N 283.456 4.854 30 10 CJEE CCCCCCCCC(=O)c1ccc(NC(C)=O)cc1 115855134 DKOUMUGTTGYZLW-UHFFFAOYSA-N 275.392 4.578 30 10 CJEE C#CCCC[C@@H](C[C@@H](C)CC(C)(C)C)NCCC 122945744 MFNJIRJTBOQFQV-CVEARBPZSA-N 251.458 4.621 30 10 CJEE CCCCCCCC[C@@H](NN)C12CC3CC(CC(C3)C1)C2 126050180 SEYMJPDGLGPZQV-GSBYPIHSSA-N 292.511 4.785 30 10 CJEE CCCCCCCCC[C@@H](CSc1ccccc1)NN 126649824 KOUZAQMZNJMJNU-INIZCTEOSA-N 294.508 4.751 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@H](C)OC 129147083 CGAIGSDTAZRNMV-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@H](NN)C1(OCC)CCCCC1 131007428 ZFXGFQCEDRJQRW-KRWDZBQOSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCSC1 135560093 XZFNSXQOLHSCSC-GJZGRUSLSA-N 258.471 4.631 30 10 CJEE CCCCCCCCCC[C@@H](CCOCCC)NC 143415206 ROFRMVJSCIPQSH-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCNC(C)(C)[C@H](C)O 145006611 NDKMSSYBSKUBFK-INIZCTEOSA-N 271.489 4.656 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)c2cc(C)cc(C)c2)CC1 148731115 LDJNBDGAWGJHJQ-AVAKVYKDSA-N 285.431 4.621 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 156005644 LSJNDHMBICVGDB-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(Cl)cc1Cl 156928682 BJBAHIZXXPJHOY-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCNc1cccc(Cl)c1C(N)=S 160998000 OVOXVAODYRQSCY-UHFFFAOYSA-N 298.883 4.747 30 10 CJEE CCC1(C)CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164463023 UNJWYUYIBPQUPH-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CC[C@@](O)(c1cccc(F)c1)C1(C#N)CCC(C)(C)CC1 167007854 CGFDDAFOCDWGEI-GOSISDBHSA-N 289.394 4.533 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccsc1 189903944 HFWZSRCHPADENJ-UHFFFAOYSA-N 285.412 4.852 30 10 CJEE CC(C)c1ccc([C@@H](C#N)N(C)C2CCCCC2)cc1 211487237 ZJEMOYYIMWQCBW-GOSISDBHSA-N 270.420 4.639 30 10 CJEE N#Cc1ccc(COc2ccc(Cl)c(Cl)c2)cc1F 218890096 MFGGZNWQTFNHOP-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE N#Cc1cccc(Nc2c(Cl)cc(F)cc2Cl)c1 227627154 HIELZTZTQKCIFO-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CCCC[C@@H]1C(C)(C)C 229674641 FEMOFZHUZYLYCS-LSDHHAIUSA-N 264.457 4.511 30 10 CJEE Cc1cc(Oc2cc(Cl)c(Cl)cc2N)ccc1C#N 231649423 PWVZQDQWDZJOOX-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE Cc1ccc(Cl)c(N[C@H]2CCCCC[C@@H]2C#N)c1 232243881 RYWKUOPHJNQLOJ-OCCSQVGLSA-N 262.784 4.533 30 10 CJEE Cc1ccc(C#N)cc1OCc1ccc(Cl)c(Cl)c1 232335184 IHVVOWONNNQQOA-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CC[C@@H](C)c1ccc(OCC(C)(C)CS)cc1 232360750 YNOQFUKFLDKTSD-GFCCVEGCSA-N 252.423 4.535 30 10 CJEE CC(C)(C#N)CCCCNc1c(F)cccc1Cl 232514268 FBTLVBYTYUWGOX-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE CCCCCCCCC[C@@H](N)c1nc2c(s1)CCC2 232924542 CTXHVQOVCFCSQW-CYBMUJFWSA-N 280.481 4.772 30 10 CJEE CCCCCCCCOC1(CCNC(C)C)CCC1 232957308 OFXSAARADIKBAF-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@H](O)C1(OCC)CCC(C)(C)CC1 233736782 RGGDJMRYSDZUOE-INIZCTEOSA-N 282.468 4.859 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)C[C@H]2CC[C@H]1C2 250822905 LYCLBEZUZAFSRQ-XYJFISCASA-N 263.469 4.905 30 10 CJEE CC[C@H](C)CN(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252438029 YZZBKYXCBGHFCK-MWDXBVQZSA-N 278.484 4.709 30 10 CJEE Cc1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 252460689 HKJHBAZCUMTABP-UHFFFAOYSA-N 288.734 4.616 30 10 CJEE CC(C)(C#N)c1cccc2c1ccn2C1CCCC1 260184548 XPDFKLFFHDPCHM-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCCC(F)(F)C1 302371724 NEYQSSJAMQHGLE-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(C)cc(C)c2)c1 308123334 RVDOBSSCTHDHJV-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE Cc1cc(Sc2cc(Cl)cc(Cl)c2)cc(C#N)n1 308299667 KGOKJALFVHUJLL-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE C=CCCCCCCNc1ccc(C(C)(C)C)cn1 311563330 AERIOYKWXVCWQK-UHFFFAOYSA-N 260.425 4.928 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc2ccccc2c1 312246852 TWYKRTVMVDOTPF-SFHVURJKSA-N 265.400 4.540 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H]2CCOC3(CCCCC3)C2)C1 312469260 FOPYFCJJSDVPIY-BRWVUGGUSA-N 275.436 4.836 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCCCc2ccccc2)C1 316708659 BYYNHLCYDQHSNR-SJLPKXTDSA-N 258.405 4.795 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccccc1Br 319916975 PTJWVPLTSVDTLH-GVXVVHGQSA-N 280.209 4.738 30 10 CJEE C=C([C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)F 380193513 XDRQZTAJSDWVNO-YJNKXOJESA-N 289.385 4.690 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccccc1C(F)(F)F 384861623 MZAPHOCLLMVJPP-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE CO[C@](C)(C[C@@]1(C#N)CCC[C@H](C)C1)c1ccccc1 384928256 PXCWMVCJWMEDLN-CGTJXYLNSA-N 271.404 4.658 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@@H](C2CCCCC2)CS1 386085968 FODXPDBSSUBYOB-UKRRQHHQSA-N 296.524 4.843 30 10 CJEE C=C(COCCC)[C@H](NC)C1CCC(CCCC)CC1 387519618 KBWOTDUDJKKXAC-ABHNRTSZSA-N 281.484 4.554 30 10 CJEE C=CC[C@H](CNCCC)Cc1c(Cl)cccc1Cl 395341414 YJIFUIJLHWHBDL-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCCCC2)c(Cl)cc1F 397095054 AIABMHLHYFVXJW-ZDUSSCGKSA-N 294.801 4.920 30 10 CJEE CC(C)[C@H](C#N)CNc1ccccc1-c1ccccc1 397518337 UHZGDZUGUZGLJS-MRXNPFEDSA-N 264.372 4.561 30 10 CJEE CC[C@H](Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC1(C)C 397684597 MZFIJZVYRQOFKY-HOTGVXAUSA-N 270.420 4.724 30 10 CJEE C[C@@](C#N)(CCSc1ccccc1)c1ccccc1 405694693 NTIFGEHLRZEHKI-KRWDZBQOSA-N 267.397 4.650 30 10 CJEE N#CCc1cc(-c2ccccc2C(F)(F)F)ccc1F 514262889 YIVLXUDSAPNEQW-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC(C)(C)CNCc1csc(-c2ccccc2)n1 572020112 KQLQGTMUYSRQKI-UHFFFAOYSA-N 286.444 4.502 30 10 CJEE C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc(C#N)cc1F 611589037 KHQGFKPREFEPEY-GFCCVEGCSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 686488508 ASKVFCOUDXDKIJ-QLFBSQMISA-N 254.414 4.510 30 10 CJEE CC(C)(C[C@]1(C#N)C[C@H]2CC[C@H]1C2)c1ccccc1 686747327 VQYYTNFDHQSBLD-ZVZYQTTQSA-N 253.389 4.684 30 10 CJEE COC(C)(C)CCC1(C=O)CC(C)(C)CC(C)(C)C1 687992408 WIBGQWHGRCILON-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C=CCC1(Nc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 690814887 KBIREWZYYNLBRJ-UHFFFAOYSA-N 280.755 4.549 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)cc1Cl 695864143 LGMZHXOOPBEQAB-VIFPVBQESA-N 271.191 4.734 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](N)C1 696046863 LJKZOIOIMOPFJF-KURKYZTESA-N 283.500 4.786 30 10 CJEE CCC1CCC(C#N)(Cc2csc(C3CC3)n2)CC1 696581336 PTRIVOCTRLPDBY-UHFFFAOYSA-N 274.433 4.673 30 10 CJEE C#C[C@@H](N[C@H](C)c1c(Cl)cccc1Cl)C(C)(C)C 702237272 YRHMHFUXDCMHDL-ZWNOBZJWSA-N 284.230 4.692 30 10 CJEE CC(C)(C)[C@H]1C[C@@H]1COCC1(CS)CCCCC1 703623957 RUOUCKZQHCTXTC-KGLIPLIRSA-N 270.482 4.566 30 10 CJEE N#Cc1c(Cl)cccc1N1CCC(C2CCCC2)CC1 708859372 VFVWWGRHHDZCQA-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCCN(C)[C@H](C)CNCC(C)C 714684541 JOZYUXVYUMJDLX-GOSISDBHSA-N 284.532 4.693 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCc2sccc21 715815473 RVAJVVPYDSXTOM-QRTARXTBSA-N 277.477 4.748 30 10 CJEE CCCCCCC[C@@]1(C)[C@H](C)C(=O)NC1(CC)CC 721782780 WPXPGRJDPSFGBV-ZBFHGGJFSA-N 267.457 4.678 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H](CC)CC(C)C)CC1 724618961 QXZHBQIDBPYXAF-IAGOWNOFSA-N 251.458 4.783 30 10 CJEE CSc1cc2sc(CC#N)cc2cc1C(F)(F)F 725316218 LZCRBTBYSRFCQY-UHFFFAOYSA-N 287.331 4.708 30 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UWGNLRZPOPCBCK-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC12CCOCC2 1258231475 PLICEPGKDQNJRX-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c1ccccc1 1279069504 JUDYDCFZHKARPV-DZKIICNBSA-N 274.404 4.775 30 10 CJEE C=C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C)c1ccccc1 1299555549 FDHQMAYBNFQESG-OKZBNKHCSA-N 299.458 4.629 30 10 CJEE C=C(CC)CN[C@@H](C)CC12CC3CC(CC(C3)C1)C2 1308817561 GOQZBFFCGLXTLL-NUVRTYOOSA-N 261.453 4.537 30 10 CJEE C=CCCCCC[C@@H](C)NCc1ccc2c(c1)C[C@H](C)O2 1308932924 UMRDLFVSUMUNSV-CVEARBPZSA-N 287.447 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C)cccc1C 1310083505 ROLJQCIQLKCDLQ-HZPDHXFCSA-N 286.419 4.560 30 10 CJEE C=CCC(CC=C)C(=O)N(CC)c1ccc2ccccc2c1 1357568221 WVRHNSIYLNACGV-UHFFFAOYSA-N 293.410 4.961 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1437966286 FGBUEUFLQQQEOZ-CABCVRRESA-N 279.468 4.700 30 10 CJEE C=C1CCN(C(=O)c2csc(C3CCCCC3)c2)CC1 1443358465 RVWHVXKHHQGXMW-UHFFFAOYSA-N 289.444 4.588 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CC(C)(C)OC1(C)C 1459491864 UFGBAUUVIOKTDY-QGZVFWFLSA-N 293.495 4.648 30 10 CJEE C=CCC[C@@H](NCc1cccc(COC)c1)c1ccccc1 1459849197 KABUZFANEGTUQS-HXUWFJFHSA-N 295.426 4.630 30 10 CJEE C=CCCN1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 1460637052 MAIGJKBBULVUCD-HNNXBMFYSA-N 283.337 4.593 30 10 CJEE C#CCN(CC1CCCCCC1)[C@H]1CCCc2ccccc21 1460836479 MAQLBBOOVORMEM-NRFANRHFSA-N 295.470 4.970 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(Nc2ccccc2)c1 1464880626 OWTWADYQMPQJIU-HNNXBMFYSA-N 294.398 4.971 30 10 CJEE C#CCCCCCCOc1cc(F)ccc1Br 1473002613 NJWHAZDFYXPRMX-UHFFFAOYSA-N 299.183 4.551 30 10 CJEE C#CCCCCC(=O)O[C@@H](CC)c1c(F)cccc1Cl 1519122662 TVQXADQLFCSFCJ-AWEZNQCLSA-N 296.769 4.667 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 1519989758 QEPKJUXZOHVZPN-FUHWJXTLSA-N 287.447 4.677 30 10 CJEE C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 1521625753 XZYYVERGQBDDDS-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2cccc(Cl)c2o1 1533392993 WORKOAWFDYBYBA-UHFFFAOYSA-N 291.778 4.561 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1534344802 VKXWRPZWRBQSCS-ISARSNTHSA-N 299.458 4.882 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 1539566091 JXQKALXIRHZFBQ-QUCCMNQESA-N 299.458 4.557 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2ccc(C(C)(C)C)cc2)C1 1560265550 VAJLRUNMIDFNTJ-IEBWSBKVSA-N 285.475 4.861 30 10 CJEE C=CCC(CC=C)C(=O)Oc1c(C)cc(CC)cc1C 1583149938 BKOJDZGPPBIGFW-UHFFFAOYSA-N 272.388 4.540 30 10 CJEE C=CC[C@@H](C(=O)N1CCCC2(CCCC2)C1)c1ccccc1 1616638181 YRMGQCWNYSXZBG-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CCCSCCNC/C(C)=C\c1ccc(Cl)cc1 1620998449 YRZQOTLTMQJFDC-OWBHPGMISA-N 295.879 4.642 30 10 CJEE C=CCC[C@H](CC)N[C@@H]1CCC[C@H](C(C)C)CC1 1621271588 CQTJRLCEDQMESC-YESZJQIVSA-N 251.458 4.926 30 10 CJEE C=CCC1(CN[C@H](C)Cc2ccc(C)cc2)CCCC1 1621334719 UQPOQMMJOYDEHZ-QGZVFWFLSA-N 271.448 4.652 30 10 CJEE C=CC[C@H]1N(CCCCC2CCOCC2)CCCC1(C)C 1642917894 PDVXLJIJUZEJPY-GOSISDBHSA-N 293.495 4.650 30 10 CJEE C=C(C)CCN[C@](C)(Cc1ccc(Cl)cc1)C(C)C 1643205938 YSIUFXLCGSSRLQ-QGZVFWFLSA-N 279.855 4.853 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(OC)c1Cl 1643803424 SITGECYDSFYINI-DZGCQCFKSA-N 293.838 4.573 30 10 CJEE C=CCCCCCN(C)c1nc2ccc(F)cc2s1 1650776829 HPLOQVZQWIQMEQ-UHFFFAOYSA-N 278.396 4.618 30 10 CJEE CCN(CC1(C)CCCC1)[C@@H](C)c1ccc(C#N)cc1 1651932070 JPXKDOZQFPOECQ-HNNXBMFYSA-N 270.420 4.521 30 10 CJEE CCc1cccc2cc(CNc3ccc(CC#N)cc3)oc12 1656120112 DYUFZWWYTJTOBF-UHFFFAOYSA-N 290.366 4.673 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2CCC[C@@H](C)C2)CCCC1(C)C 1658465944 DLIBFJUSPBXSEI-ZACQAIPSSA-N 263.469 4.879 30 10 CJEE C#Cc1ccc(CN(Cc2ccc(F)cc2)C(C)(C)C)cc1 1658561064 IAROHHHCBRFHJV-UHFFFAOYSA-N 295.401 4.608 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cnn(CC(C)C)c2C(F)F)C1 1664030997 JEBZUYAFKMKOGT-OLZOCXBDSA-N 297.393 4.633 30 10 CJEE C=CCC[C@@H](CCC)N[C@H](C)c1ccc(F)c(C)c1 1664805472 GCTRILFBABPDJJ-GDBMZVCRSA-N 263.400 4.920 30 10 CJEE C=CC[C@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1772556328 QBVRDFJKGZAGMU-HNNXBMFYSA-N 294.398 4.748 30 10 CJEE C=CCN=NNc1ccc(OCCCCCC)cc1 1860486877 JARFRCIVPYAKQH-UHFFFAOYSA-N 261.369 4.611 30 10 CJEE Cc1cccc(N=C2N[C@@]3(CC[C@H](C)C3)CS2)c1Cl 1880885022 GMLQCIWZIXPJKM-ZUZCIYMTSA-N 294.851 4.531 30 10 CJEE CC#CCCCC[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@H]21 1885226150 BDYYBFQYATVBBQ-MLHJIOFPSA-N 262.437 4.538 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)(C)C)CCCC[C@H]1C 1887490463 UXSOFWOLNZAQKB-JZXOWHBKSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@]1(N)CCOC2(CCC2)C1 1889629103 GIRQADCVHAWZFH-INIZCTEOSA-N 267.457 4.558 30 10 CJEE C=C(C)CC[C@@H](O)c1c(Cl)cc(F)cc1Cl 1901872906 CJRJSEUFHQFHMV-LLVKDONJSA-N 263.139 4.522 30 10 CJEE CCCCCCC[C@@](C)(OCC1CCCCC1)C(=O)O 1912234297 ITGSOKHQSTXPHA-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1C[C@@H](OC(C)(C)C)C1 1914033602 RAZYHQFOUGJVED-OWCLPIDISA-N 269.473 4.529 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc(N)cc1Cl 1914926539 QSAFJGKIVGNAPU-UHFFFAOYSA-N 286.806 4.505 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccnc(C(F)F)c1 1918445324 XUPZGWWTQBXDFB-DGCLKSJQSA-N 266.335 4.566 30 10 CJEE CC1(C)CCCCC[C@@]1(O)[C@]1(C#N)CCCC12CCC2 1921277527 IKIZWWKNNYFENJ-ROUUACIJSA-N 275.436 4.572 30 10 CJEE CCCCCCCCOC1CCC(N)(C(F)(F)F)CC1 1924755727 AQGLASBSLSPPKW-UHFFFAOYSA-N 295.389 4.566 30 10 CJEE CC[C@@H](CC#N)N(Cc1ccccc1)CC1CCCCC1 1931886832 ORWUUWLBBWWBSJ-IBGZPJMESA-N 284.447 4.761 30 10 CJEE COc1ccc(C(=O)C=Cc2sccc2C)cc1Cl 1951318926 QPQBYRCVSNGROW-UHFFFAOYSA-N 292.787 4.615 30 10 CJEE C=C1CCC(CC(=O)CCCOCc2ccccc2)CC1 1955497198 MDGNMILLNQMLKG-UHFFFAOYSA-N 286.415 4.689 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc2ccccc2s1 1964041535 DMWTUTTVCWHHSJ-CYBMUJFWSA-N 259.418 4.736 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 1970667119 SQWWGERWKRSFGE-FRRDWIJNSA-N 274.795 4.592 30 10 CJEE C=C1CC(C#N)(Cc2cccc(Cl)c2Br)C1 1976413269 KVJKABPUJCWYJX-UHFFFAOYSA-N 296.595 4.505 30 10 CJEE CCC[C@@](C)(C#N)Cc1cccc(C)c1Br 1978648099 NXTAAAWFVICPKX-CQSZACIVSA-N 280.209 4.630 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1scc(C)c1Cl 1996467862 ALTXMVUAIDBGTK-MFKMUULPSA-N 271.857 4.963 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Cl)sc1C 2000354638 CNVOXZXIPHWUQC-YGRLFVJLSA-N 271.857 4.963 30 10 CJEE C=CCCCCC[C@@H](O)C1(CC(F)(F)F)CCC1 2034502318 MWSSJSFYGNPOSX-GFCCVEGCSA-N 264.331 4.607 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2040531626 YWNYFALPDUHKHU-IAQYHMDHSA-N 286.246 4.726 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC2CC(C(C)(C)C)C2)C1 2043037484 UDIYXYCLDISABE-VXTDNTOSSA-N 250.426 4.844 30 10 CJEE O=C(C1=CCC(F)(F)CC1)C1CCCCCCC1 2045231807 ARDBFSTXZBJTNJ-UHFFFAOYSA-N 256.336 4.662 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(C)sc2C)CC1 2045691067 UDDDFABOLLEWBH-MRXNPFEDSA-N 263.450 4.762 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1[C@H]2CCCC[C@H]21 2048426230 NSDVKLPPJLJARI-NXOAAHMSSA-N 252.442 4.924 30 10 CJEE C=CC1(C[C@@H](NCC)c2ccc(SC)s2)CCC1 2049031794 BXPWMDPWKPFQDA-GFCCVEGCSA-N 281.490 4.867 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(CCC)CCC 2052169460 QNNOOBSMZAGJJN-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H]1CC[C@H](C)[C@@H](NCCC)C1 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2240349998 NHOKOEVNMRSXDP-SFHVURJKSA-N 269.432 4.654 30 10 CJEE CCCCCCCC[C@](C)(NC)c1nc2c(s1)CCC2 2240577250 XNMLJEJZSGPRTM-KRWDZBQOSA-N 294.508 4.817 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC(C)(C)C)NCC 2240666271 LIBUUBNHESUJHS-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1CC2(CC(F)C2)C1 2242066165 HDMWXSZLENQMRJ-UHFFFAOYSA-N 287.422 4.593 30 10 CJEE C=C(C)CCCC[C@H](N)CSC1CCCCC1 2250181030 IGKUSMSHQWHSBC-AWEZNQCLSA-N 255.471 4.516 30 10 CJEE C[C@H](CCS)CCSCC1(C(F)(F)F)CCC1 2251757142 KLMNFALAPJAGHC-SNVBAGLBSA-N 286.428 4.798 30 10 CJEE CCCCCCCNC[C@@H]1CC[C@@H](C(F)(F)F)C1 2253840637 SPXVIBWSHCYJHK-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2255397015 GDCWXLRLVHEOAV-ZDUSSCGKSA-N 288.218 4.619 30 10 CJEE C=CCCCCCCNCCCCC[C@H]1C[C@@H]1C 2257322126 LMHGEYIRGYVXPP-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)CC1CC(CC(C)(C)C)C1 2261133072 QXIJOZLEIMDPAE-ARAOSMHQSA-N 250.426 4.844 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)C1 2265002057 YMHRZMBSTBYUJJ-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=C([C@@H](C[C@@H]1CCCC12CC2)NCCC)C(C)(C)C 2266596663 RAKMRMRXFXAZSU-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(NCc2csc(C3CC3)c2)c(Cl)c1 2267886832 RVHXGSDKEQZOFP-UHFFFAOYSA-N 288.803 4.763 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1c(F)cc(C)cc1F 2268231855 NKPZEJPNBJWKIX-MLGOLLRUSA-N 267.363 4.526 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC[C@@H]2C(F)F)CC1 2270045489 ZWQXMOWJROGYBO-WJEHIRDRSA-N 272.379 4.843 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCCC 2271781760 RHFPOUSABNBFLW-CVEARBPZSA-N 287.428 4.892 30 10 CJEE CCCCCCCC[C@H](NC)C1CC2(CC(F)C2)C1 2272132041 KMQDJENKNNIDQR-PYCMUAIMSA-N 269.448 4.853 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1CCCCCC1 2273996002 SNTGNCZJHQMGTG-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CN[C@H](CCC#CC1CCCC1)c1ccc(Cl)cc1 2274128475 KKWVWAFMFASTFN-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CCC[C@@](C)(CC#CC1CCCC1)CNCC(C)C 2274165852 CFMKNXSXDDFUDL-SFHVURJKSA-N 263.469 4.622 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C(C)(C)C 2276434064 CYQVGTDQHQMMNB-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@H](C)[C@H]1C 2276652938 FLYCYCOOAFETNV-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@H]1C[C@H]1C 2277296961 WFSJEYKRCXDPQU-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2278605395 MSYOOSNVFHMZLY-LLVKDONJSA-N 288.407 4.652 30 10 CJEE Cc1ccc(C#N)c(NCC[C@H]2CCCCC23CC3)c1 2279741138 RLJDTEXSAXEZCS-MRXNPFEDSA-N 268.404 4.639 30 10 CJEE Cc1cc(N[C@H]2CCCC[C@@H]2C2CC2)cc(C)c1C#N 2280570225 JRPNLHOXXQKHJV-AEFFLSMTSA-N 268.404 4.556 30 10 CJEE C=C([C@H](NCCC)c1ccc(CCC)cc1)C(F)(F)F 2283478866 BJHYUGNJWNOHES-HNNXBMFYSA-N 285.353 4.798 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CC(C)(C)CO1)NCCC 2287416059 WTMCCWUEPOSPEX-SJORKVTESA-N 281.484 4.696 30 10 CJEE CC(C)NC[C@]1(CC#CC2CCCC2)CCCC1(C)C 2289899524 RDOZBHWWUOPSDR-IBGZPJMESA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCC(C)(C)C1 2290915417 QTLXPRHUQFLXQE-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@H](C)[C@@H](C)C1 2290917434 IHOPQIUYFLXIMP-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)c1ccc(Cl)cc1 2291478826 XJXJIHYPYVIBDS-OAHLLOKOSA-N 296.794 4.619 30 10 CJEE CCCCCCC[C@@](C)(CC=C(C)C)OCCC(=O)O 2291632686 JYPUFCFUDWRLEE-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=C(CC)C[C@@]1(OCCC(=O)O)CCCCC[C@@H]1CC 2292125753 OIGSLUOAJOSYEV-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)C1CC(C)(C)C1 2292895881 GLBRUTJCERASOC-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@@H](C)C1)OCCN 2293120403 LSNWROAFQQKEOL-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CCC[C@@H](C)C1 2293208532 MMEWGCFOZHXQST-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=C([C@@H](OCCCN)c1ccc(Cl)cc1C)C(C)(C)C 2294253159 YNNHRAGKEJFTBA-MRXNPFEDSA-N 295.854 4.657 30 10 CJEE C=C([C@@H](OCCCN)[C@H]1CCCC(C)(C)C1)C(C)(C)C 2294273463 TVQQVYFAFVAIMN-JKSUJKDBSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1CC[C@H](C)C1 2294383981 CIVJKIRZDKOZKI-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C[C@@H]([C@@H]1CCCC(C)(C)C1)N(C)Cc1ccsc1C#N 2294719533 PPRMXGZJRZEIAO-UONOGXRCSA-N 290.476 4.656 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC(=O)O)[C@@H](C)CC 2295532408 WMOJYDLDPAPMCY-JKSUJKDBSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnc(OCC)s1 2295579429 OLRHZAKWCSDIFM-INIZCTEOSA-N 298.496 4.856 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](NC)CCN1C(C)C 2295679808 SYAJMCNSDGJNBE-QZTJIDSGSA-N 282.516 4.588 30 10 CJEE C=CCC(CC=C)NCc1cc(Cl)ccc1Cl 2298832146 PGWLWARSTLDCNS-UHFFFAOYSA-N 270.203 4.604 30 10 CJEE CC1CCC(CSC[C@H](C#N)C(C)(C)C)CC1 2299029213 VIFNIKZRIULSMA-RUXDESIVSA-N 253.455 4.732 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1sccc1Cl 2301067080 WKZGARABTNSJPL-ZDUSSCGKSA-N 269.841 4.821 30 10 CJEE C[C@@H](CCS)CCOCCCC1=CCCCC1 2302282503 MKRHYMVCKPCYBW-CQSZACIVSA-N 256.455 4.630 30 10 CJEE CCCCCCCCC1(N)CC(CCSC)C1 2304154525 NTFHALYGECFOHG-UHFFFAOYSA-N 257.487 4.598 30 10 CJEE O=C(C=Cc1cccc2cnccc12)c1csc(Cl)c1 2311196311 CLQNMIKHDDLEBC-UHFFFAOYSA-N 299.782 4.846 30 10 CJEE CCCCCCCCC[C@@](C)(F)[C@@H]1CC[C@H](N)C1 2311765621 UBFCBROLQKSLTM-OWCLPIDISA-N 257.437 4.983 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CCC1(F)F)NCC 2313738482 ZCTDHYRRNHKJEN-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCCCCCCCCNC[C@H]1CC[C@@H]1C1CC1 2319633703 VQPXCTRUPBNQSE-IAGOWNOFSA-N 251.458 4.763 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1(C(C)(C)C)CCC1 2321220361 ROFNWRJVRRFHLP-ZBFHGGJFSA-N 252.442 4.946 30 10 CJEE Cc1cc(C)c(C)c(C(=O)C=Cc2cccc(O)c2)c1C 2325789012 IDZJUURUTHHZGO-UHFFFAOYSA-N 280.367 4.522 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2327872355 HTRIJWHHIPVLAA-NEPJUHHUSA-N 284.230 4.754 30 10 CJEE CSc1cc(SC[C@@H]2CC23CCC3)ccc1C#N 2328529640 JXCYIBSSWQUTTF-LBPRGKRZSA-N 275.442 4.562 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329766261 JRUVBISNQPQLSM-BARDWOONSA-N 273.411 4.746 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329795194 VLQAVGFCGLINNR-QMIVOQANSA-N 267.363 4.778 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329795310 XEIQQYWJOHGPPJ-QMIVOQANSA-N 267.363 4.778 30 10 CJEE C#CCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NCCC 2331366682 AIBMDXJHDBVJDB-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@@H](CCC[C@@H]1C[C@H]1C)NN 2331419708 YTPIAEUBLILVON-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCCC12CCC2 2334333882 BPPFXFWQCVPRGD-HPFXQQBRSA-N 260.421 4.742 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H]1C[C@@H]1C)OCCN 2334977309 NOVBGEWXADOAJX-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)C1(C)CCC1 2335201345 SYQXLKJSDLCZFI-INIZCTEOSA-N 281.509 4.799 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1CN[C@@H](C)CC 2335229370 LUMYSMLJDAVEKP-STQMWFEESA-N 281.440 4.771 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)CC1CCC1 2335242777 TXRGJQXDBMJSHC-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]21 2338738484 MYIZHTHJNUOZAH-TVFCKZIOSA-N 261.453 4.559 30 10 CJEE C#CCCCCCCN[C@H](C)[C@H]1CCCC(C)(C)C1 2338806789 ZMAYNJQHTCZTPQ-SJORKVTESA-N 263.469 4.765 30 10 CJEE CC(C)(Cc1ccccc1)C[C@@]1(C#N)CCCSC1 2339455337 KKWMUXYPZAWGQR-QGZVFWFLSA-N 273.445 4.682 30 10 CJEE CCCCCCCCO[C@H](C)CCCCNC1CC1 2340372168 INPCZYGDWSFXQS-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc2cc(Cl)ccc2n1 2344464069 ICXNQLDSUQMVSQ-HNNXBMFYSA-N 275.779 4.524 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC[C@H]1CC[C@H]1C1CC1 2352177167 VCNZHRKAJNMMGB-VYDXJSESSA-N 284.509 4.812 30 10 CJEE CCCCCCCC[C@](C)(N)[C@@H](C)C[C@H]1CCOC1 2353008880 OJDPDHUCNNCCAU-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CC(C)(C#N)CCOc1ccc2ccccc2c1Cl 2353117680 MPBHBWLASTVLNI-UHFFFAOYSA-N 273.763 4.812 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(SC)c1 2353833169 AOVDGWBXSCASQL-WFASDCNBSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353979879 XNUWIIWOLRKWDR-XMTFNYHQSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358321773 DXFJADQGJVAGSH-WCVJEAGWSA-N 286.406 4.945 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc(N)c2cccnc12 2360209220 ZNXBQSTVOOVMPF-UHFFFAOYSA-N 288.391 4.569 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1sc(C(C)(C)C)nc1C 2360213666 XKZWBOVAVQAICP-GFCCVEGCSA-N 292.492 4.920 30 10 CJEE C=CC[C@H](C)SCc1cccc(NCCC)c1[N+](=O)[O-] 2360352660 DITUQFZEJAYJPU-LBPRGKRZSA-N 294.420 4.615 30 10 CJEE COc1ccc(C(=O)/C=C\c2c(C)cc(C)cc2C)cc1 33499653 JPFYXEXJQXQAQV-KTKRTIGZSA-N 280.367 4.517 30 10 CJEE Cc1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C#N)c(C)c1 37154858 WJZDHOPFODOWKJ-JGGQBBKZSA-N 259.418 4.724 30 10 CJEE Cc1cc(F)ccc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306407 PAJSXHQCTSGIEE-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 37935936 SMVIDJRMQFEXDA-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCc1cc(=O)c2cc(O)ccc2o1 43397040 SWJXAMFRWULPFF-UHFFFAOYSA-N 288.387 4.792 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2csc3ccccc23)cc1 55333250 ARJCRSAQDWVPKZ-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE C[C@H](C#N)Cn1c(CCC2CCCCC2)nc2ccccc21 57800792 IBICSNULQCGRCR-OAHLLOKOSA-N 295.430 4.709 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)C#N 60164577 WNTBQARVNYPOGX-INIZCTEOSA-N 252.446 4.751 30 10 CJEE N#Cc1ccc(Nc2ccc(OC(F)F)cc2)c(Cl)c1 62793626 JVEONUVLIXZDGP-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE CC(C)c1nc(C#N)cc2ccc(C(C)(C)C)cc12 77259024 YNIKSAAOIUMJET-UHFFFAOYSA-N 252.361 4.527 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@H](CC)C1 80457265 LEGWVFDPQJZXGW-KBPBESRZSA-N 261.434 4.955 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86899335 SAQRNASCONSIFM-IUODEOHRSA-N 276.811 4.982 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(Nc2ccccc2OC)CC1 86949222 DVAVLVRZODLVGW-YJBOKZPZSA-N 286.419 4.750 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2COc3ccccc32)CC1 92307650 BWGWDSPGUMTPMU-CQSZACIVSA-N 269.388 4.663 30 10 CJEE C=C(C)[C@@H](NCCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547369 CACGZIJMIXFGOU-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE Cc1cc(C)cc(CSC[C@H](C#N)c2ccccc2)c1 94718402 OQQZGQYZZIXBTO-SFHVURJKSA-N 281.424 4.844 30 10 CJEE CCCCCCCOCCCC[C@H](C)NCCC 106246521 SYGPYCMHKGBHCH-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C[C@@H]1CCc2ccccc2N1c1cccc(Cl)c1C#N 110251128 FIOHXKKGRCVYAP-GFCCVEGCSA-N 282.774 4.684 30 10 CJEE CCCCCCCOc1ccc(C=O)cc1Br 110311323 RNGUQWBEHSECGZ-UHFFFAOYSA-N 299.208 4.611 30 10 CJEE CCCCCCCCO[C@@H]1CC(C)(C)CC[C@H]1NC 112847202 MMDVLBJVHZXWPN-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CCC(C)C)C2CC2)C1 113052234 WOEVCQQYQCECMN-SOLBZPMBSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1Cc2ccccc21 114384545 PWPMIMGAWPQDFP-ROUUACIJSA-N 259.437 4.665 30 10 CJEE CCCCCCCCC/C(=N\N)Nc1ccccc1 115065947 HXYSKNCJQNHGMC-UHFFFAOYSA-N 261.413 4.511 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)c1ccccn1 117693443 RHQWRPRAQWWVGI-RDJZCZTQSA-N 263.425 4.687 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)ccc1C 122144796 PMLKWIXJVLBZJO-KRWDZBQOSA-N 262.441 4.558 30 10 CJEE CCCCCCCC[C@H](NN)C1C2CC3CC(C2)CC1C3 122434342 MCFIRRIMVZOICM-YXOSVLIBSA-N 292.511 4.641 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@]1(C)CCCO1 123599080 VADAJKJVHHPBJJ-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](O)c1cc2cccc(F)c2o1 124169749 DQWFYDFVJCWTPF-AWEZNQCLSA-N 264.340 4.966 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(Cl)c1 125358936 LDLRVBYJAFXAHD-MRXNPFEDSA-N 282.859 4.985 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)OCC 132331998 FMCSPPXGISIZNE-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](NCC)c1snnc1CCC 139561551 XCDZQBMXZCYOFU-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE C=C[C@]1(C)CC[C@@]2(C)c3cc(O)c(O)c(C)c3CC[C@@H]2C1 169307685 MKKOUGDVRDZEMO-UPRAQXHNSA-N 286.415 4.603 30 10 CJEE biogenic C=C1C[C@@H](c2ccc(Cl)cc2)N(C(=O)OC(C)(C)C)C1 169607609 PBTGCJSWFQDLNV-AWEZNQCLSA-N 293.794 4.578 30 10 CJEE C#Cc1cccc(N[C@@H]2C[C@H](C)Sc3sccc32)c1 216992989 WIHJVHWVKSGOJU-XHDPSFHLSA-N 285.437 4.767 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 222264038 HSYHAQAYACBFPY-QMCVQRASSA-N 273.445 4.994 30 10 CJEE CCCCCCC[C@H]1C[C@H](O)c2cc(Cl)ccc2O1 229374716 PXMQOEQQFRAGSJ-ZFWWWQNUSA-N 282.811 4.885 30 10 CJEE C=C(CNC(C)(C)C)COc1ccccc1[C@@H](C)CC 231520932 MSHIUPGPOQZURK-HNNXBMFYSA-N 275.436 4.523 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)c(F)c(Cl)c1 232025373 BGYZKTCSWMTLJA-QMMMGPOBSA-N 262.155 4.899 30 10 CJEE CC[C@H](C)c1ccc(Oc2nccc(C#N)c2Cl)cc1 232342229 OPHTVNMSGNIBIC-NSHDSACASA-N 286.762 4.912 30 10 CJEE C=CCCCCCC(=O)CCCc1cccs1 232560058 UEIOFUKAMJVPKY-UHFFFAOYSA-N 250.407 4.776 30 10 CJEE CC(C)(CC#N)c1ccc2oc(C(F)(F)F)cc2c1 260166415 JETYXULSKIWKIH-UHFFFAOYSA-N 267.250 4.643 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(F)(F)CC=C 295019291 WMJZMOZUVMQHTA-UHFFFAOYSA-N 293.357 4.688 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 307893107 LWABWFRHCNXRTL-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 311862723 RFIOSCCMWPWWKG-HNNXBMFYSA-N 259.437 4.991 30 10 CJEE C=CCC[C@H](CC)N[C@H](CCCC#N)c1ccccc1 340451630 OOLLTZGHHUKLDA-ZWKOTPCHSA-N 270.420 4.756 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1[C@H]2COC[C@H]21 385741679 ZRNZOIDUURTZJK-XDNAFOTISA-N 282.468 4.551 30 10 CJEE CCCCCCCCCCNCC(C)(C)C[C@H](C)O 393600475 QIFOTDULJHMISR-INIZCTEOSA-N 271.489 4.514 30 10 CJEE C=CCCCCC[C@H](NN)c1ccc2sccc2c1 395310671 PCPBUSWVGBBUQE-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE CCN(C[C@H](C#N)C1CCCCC1)c1cccc(C)c1 397365404 RMJBZBQKOGCFKF-KRWDZBQOSA-N 270.420 4.541 30 10 CJEE N#C[C@@H](CSc1cc(Cl)cc(Cl)c1)C1CC1 397425531 XKWXTSSJRXEDOP-VIFPVBQESA-N 272.200 4.635 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C(C)(C)C)s1 398155996 GKFOOOWRPBMOLP-CYBMUJFWSA-N 265.466 4.880 30 10 CJEE CCCCCCCCC[C@H](O)CCCOCC(F)(F)F 400481922 BJDUIJYCEYCMMW-AWEZNQCLSA-N 298.389 4.847 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@@H](CSC2CCCCC2)C1 402946247 CAMKMWUTIXLEKR-NVXWUHKLSA-N 294.508 4.503 30 10 CJEE C=CCCC[C@@H](NCC(C)C)[C@@H](C)c1ccccc1 405660730 UGYNNHVYOWGYGI-FUHWJXTLSA-N 259.437 4.761 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)C1 476166108 VXASBGLQJXEFRD-GDBMZVCRSA-N 285.431 4.913 30 10 CJEE C#CCCCCC[C@@H](O)c1cccc(C(C)(C)C)c1 686684149 GDIDYUMTKCKOGL-QGZVFWFLSA-N 258.405 4.601 30 10 CJEE C#CCCCCC[C@H](N)c1ccc(Cl)cc1Cl 686698465 YGXLLHKPDZRYHW-AWEZNQCLSA-N 270.203 4.577 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CC2CCC1CC2 692270191 CFALOVRETFHIOY-KGDRSLQDSA-N 275.480 4.926 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)ccc1C 692270691 FXNOGLZOKFSDEB-WMZOPIPTSA-N 257.421 4.528 30 10 CJEE CCCCCCCCCCNCC1SCCS1 692806745 OFROGMPJESLDJQ-UHFFFAOYSA-N 275.527 4.523 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)c2cccnc12 695842093 KGBLTOWKXPOZGU-LLVKDONJSA-N 287.794 4.628 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CNc2ccccc21 697068043 JCEKNKPXXJSIBZ-CVEARBPZSA-N 275.436 4.697 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)c(F)c3)C[C@@H](C1)C2 697305327 VNKLPIUDAOSZHX-ONXXMXGDSA-N 263.331 4.512 30 10 CJEE C=C1C[C@H]2CC(NC3CCC(CSC)CC3)C[C@@H](C1)C2 697314589 GJBFRFVOIYQUNB-FUDRRUEFSA-N 293.520 4.633 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(C(F)F)c1F 701199215 HPGOPOHXSGNXMW-ZDUSSCGKSA-N 288.357 4.628 30 10 CJEE C#C[C@H](NC(c1cccs1)c1cccs1)C(C)(C)C 702295221 QTFKFLBQJIOWNT-AWEZNQCLSA-N 289.469 4.537 30 10 CJEE CCCCCCC[C@H](NCC)C1CC(C2CC2)C1 714461914 WJYUGPUUVCVGIX-JCYILVPMSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715705181 MCSIWIWYXOFDMD-PSDLTNOISA-N 261.453 4.523 30 10 CJEE SCCCCCCCCCN(Cc1ccoc1)C1CC1 723754628 HLCSEIWGFMWDKI-UHFFFAOYSA-N 295.492 4.905 30 10 CJEE C[C@H]1C[C@](C#N)(CC2CCC(C)(C)CC2)C[C@@H](C)O1 724280159 BYFFGYKYPCIGJP-HALDLXJZSA-N 263.425 4.690 30 10 CJEE C=C1CCC(CNc2cc(C)ccc2Br)CC1 724549997 MZLYJGBFSONNCM-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H](CC)c2ccccc2)CC1 724556407 OFFCFZRPOBFWQJ-ROUUACIJSA-N 258.405 4.678 30 10 CJEE CCCCCCCC[C@H](NN)c1c(C)csc1C 724981123 IKIGJHFMQCTXNH-AWEZNQCLSA-N 268.470 4.620 30 10 CJEE N#CCc1cc(C(F)(F)F)c(Cl)c2ccsc12 725286923 SFNBXLDYLAUGBX-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE CC(=NNc1cccc(F)c1F)c1cc2ccccc2o1 743443250 UKAKDFCJGPQEAG-UHFFFAOYSA-N 286.281 4.547 30 10 CJEE C[C@@H](CCC1CCCC1)Nc1ccccc1O[C@H](C)C#N 780746383 NTAWTRNKJZOYGO-LSDHHAIUSA-N 286.419 4.748 30 10 CJEE Cc1ccc(N=Cc2ccc(N3CCCC3)o2)cc1Cl 1084529874 MPFNYMPYSKVJEI-UHFFFAOYSA-N 288.778 4.592 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC[C@H](C)C1 1190456666 COIXQZKZQQUYFJ-WMZOPIPTSA-N 287.447 4.510 30 10 CJEE CC#CCN[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1195883680 JKCGEYMMRPESMK-IRXDYDNUSA-N 293.410 4.501 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCc3cc(C)ccc32)CCCCC1 1264784157 OWZVNQFSDGGZJS-GOSISDBHSA-N 297.442 4.625 30 10 CJEE C=CCC[C@H](CC)NCc1ccsc1C(F)(F)F 1308893142 ZCFMMUGLUBODSZ-NSHDSACASA-N 277.355 4.601 30 10 CJEE C=CC(C)(C)CCNC(=O)N[C@@H](CCC(C)C)C(C)(C)C 1312000601 YBLOCMYZPGXLIK-HNNXBMFYSA-N 296.499 4.739 30 10 CJEE C=CCCC[C@@H](NC(=O)/C(C)=C/CC)c1ccccc1 1438918165 GYXQBGGNFXNLAX-GSPCDJLXSA-N 271.404 4.557 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc2cc(C)c(C)cc2o1 1439082423 SEOJEUFHKTWDCY-UHFFFAOYSA-N 299.414 4.772 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1cccc(OC(C)(C)C)c1 1439460360 HTPMSHARSDWMHB-SFHVURJKSA-N 290.403 4.509 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(CCCC)cc1 1458272012 LCLOYWMSWGNVMU-HNNXBMFYSA-N 273.420 4.504 30 10 CJEE C=C(CC)CN(Cc1cccc(C(F)(F)F)c1)C(C)C 1459392929 JYXQGYVQLNLVOC-UHFFFAOYSA-N 285.353 4.882 30 10 CJEE C=CCCCCN1c2ccccc2S[C@H](C)[C@@H]1C 1459705447 RAAOFZYUXJKGBD-UONOGXRCSA-N 261.434 4.732 30 10 CJEE C=CCCCCCCCNC(=O)C1(C2CCCCC2)CC1 1460677605 RUXBXAXQOOBEJV-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCC[C@H](CC)C1 1461571406 QQJYFCILTHPNET-YSIASYRMSA-N 285.475 4.980 30 10 CJEE C=C(CC)CN1CC(C)(C)c2ccc(Br)cc21 1473650941 IQVYGHIWJTVIPF-UHFFFAOYSA-N 294.236 4.513 30 10 CJEE C=CCCCCCN(C)C/C=C/c1cccc(F)c1 1474369485 HLFMJNPBHSZDFP-PKNBQFBNSA-N 261.384 4.517 30 10 CJEE C=CCC[C@H](CCC)Nc1cnc(Br)c(C)c1 1474389210 JMJSUNFHTBHHCN-LBPRGKRZSA-N 297.240 4.699 30 10 CJEE C=CCCCCC[C@H](C)NCc1ccc2cccnc2c1 1474661646 CQIZWGAEIWPIHG-INIZCTEOSA-N 282.431 4.849 30 10 CJEE C=CC[C@H](C(=O)NC[C@H]1CCCC[C@H]1CC)c1ccccc1 1534423967 HRSBHPWANMYDMA-QRQLOZEOSA-N 299.458 4.679 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1536812445 DKBPAAQZCAJWNF-QGZVFWFLSA-N 277.383 4.664 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCCC(C)C 1538890444 QCRQRDWSWAYBOC-IAGOWNOFSA-N 279.468 4.844 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1Cl 1538890464 QQLNXNOWNHQFRQ-CJNGLKHVSA-N 291.822 4.513 30 10 CJEE C=C(CC)C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 1556757321 RUWFJGRQMNJYLW-KRWDZBQOSA-N 293.410 4.743 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc(CCCC)cc1 1562050450 SSYGWGJKXHDUBK-HNNXBMFYSA-N 274.408 4.505 30 10 CJEE N#Cc1c(Cl)nsc1N[C@@H]1CCCCC12CCCC2 1612435298 BWXUIGHEGUGLNF-LLVKDONJSA-N 295.839 4.583 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC2CCC1CC2 1617693693 FQCUYKIUASPSOW-LYBXBRPPSA-N 283.459 4.891 30 10 CJEE C#Cc1ccc(CN[C@@H](CC(C)(C)C)c2ccccc2)cc1 1620721649 AIEVAOIOCHTDAQ-FQEVSTJZSA-N 291.438 4.935 30 10 CJEE C=CCC[C@@H](CC)N[C@H](CC(C)(C)C)C(F)(F)F 1621203826 RFDIKAVYIZLKBM-VXGBXAGGSA-N 265.363 4.688 30 10 CJEE CC(C)CCCCNc1c(Br)cccc1C#N 1642302082 DBUIRYDTKDKWOW-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C(CC)CN[C@@H](COc1c(C)cccc1C)C(C)(C)C 1642531946 SULOFXGTJYVMGC-KRWDZBQOSA-N 289.463 4.653 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCCC[C@H]1C 1651208445 MHEWIBSFMVLVMG-BHIYHBOVSA-N 271.448 4.590 30 10 CJEE C=CCC[C@@H](CC)NCc1ccnc(-c2ccccc2)c1 1652920597 IBGZOJPLRWBJNY-GOSISDBHSA-N 280.415 4.583 30 10 CJEE C=CCC1(CNCc2cccc(Cl)c2C)CCCC1 1656241470 KTBIGWYKGOBJOL-UHFFFAOYSA-N 277.839 4.875 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc3occ(C)c3c2)CC1 1660885187 DIJQQKUSFDVHAO-UHFFFAOYSA-N 298.386 4.609 30 10 CJEE CC(C)c1ccc(/C=C/C(=O)O/N=C2\CCCC[C@@H]2C)cc1 1860468092 QCFIQORBTNTMBU-JHDRQPESSA-N 299.414 4.933 30 10 CJEE C[C@@H]1C[C@H]1CCC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 1876928952 NHKNEMZWGKPZEG-GIPNMCIBSA-N 296.197 4.606 30 10 CJEE C=CCC[C@@H](C)[S@](=N)(=O)c1ccc(C(C)(C)C)cc1 1879724259 ZBUMXHKXVQTQKJ-YJYMSZOUSA-N 279.449 4.744 30 10 CJEE C=CCCN(Cc1ccccc1)CC1(C)CCCC1 1880994842 BJPMCEOUHPEVER-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=CCCCCC(=O)C1CC2(C1)C(F)(F)C21CCC1 1882059810 UCNIODJBLVQKOF-UHFFFAOYSA-N 268.347 4.518 30 10 CJEE C=C1CCC(CN(C)[C@H](C)C2CCC(C)CC2)CC1 1884407164 LGOZRYXAXMNYQX-UPTPFMHGSA-N 263.469 4.879 30 10 CJEE CC#CCCCC[C@]1(N)CCCCC12CCCCC2 1885341699 QCWODXXHEQQKRV-SFHVURJKSA-N 261.453 4.792 30 10 CJEE CC#CCCCCN(C)C1CC2(CCCCCC2)C1 1885356418 LYSBSGAHDRUYQH-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=C(c1ccccc1)[C@H](CC(C)(C)CC)NCCC 1888688039 CPZKFCZIVFWAIT-KRWDZBQOSA-N 259.437 4.894 30 10 CJEE CCCCCCCCNCCCCNCc1ccccc1 1915227264 XIMHNWGKKLEQEE-UHFFFAOYSA-N 290.495 4.507 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](C)C1CCCC1 1924129255 CYLAXMMXMAJUKV-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CC[C@H](C)CCN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 1926051723 AUQZVGJWPXZKRK-LUKYLMHMSA-N 278.484 4.709 30 10 CJEE C=C[C@@H](NCCC)c1cscc1OCc1ccccc1 1934835271 BQURMAZZOVJOHK-MRXNPFEDSA-N 287.428 4.554 30 10 CJEE CCCCCCCCC[C@@H](O)c1nscc1C 1947823541 WXLKATODSOALHH-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE CCCCCCCC[C@H](O)c1cscc1OC 1950313693 GJVGIKMMGXAZEO-ZDUSSCGKSA-N 256.411 4.541 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CCCOCc1ccccc1 1957119154 OEZZSFPLHSXFIC-IBGZPJMESA-N 288.431 4.769 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccccc1OC(F)F 1964121314 ZHEBVWIPSNPNRG-STQMWFEESA-N 283.362 4.683 30 10 CJEE Cc1cc(CSCc2ccccc2Cl)ccc1C#N 1968304524 JKDDRMGBYCCLQW-UHFFFAOYSA-N 287.815 4.954 30 10 CJEE C=C1C[C@H]1Cn1ccc2c(Cl)cc(Cl)cc21 1976116778 AQVYZHPOJUSRBJ-VIFPVBQESA-N 252.144 4.524 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C)c(Cl)s1 1984518287 GKQLHXKQVPRLIF-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C=C[C@](N)(CCC)c1cc(Cl)c(Cl)cc1Cl 1993449606 ZVWMENUQMKGORB-LBPRGKRZSA-N 278.610 4.787 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1sccc1CC 1996468483 CZBVOXPVJQERNY-OCCSQVGLSA-N 251.439 4.563 30 10 CJEE C=CC1(C[C@@H](NC)c2cc(C)c(Cl)s2)CCC1 2002630893 SAUXINHKSQBZPZ-LLVKDONJSA-N 269.841 4.717 30 10 CJEE C=C(C)CCNCc1ccc(-c2cccs2)s1 2025490142 BCODRNBMPBLBKZ-UHFFFAOYSA-N 263.431 4.532 30 10 CJEE CCCCCCCN[C@@H](C1CCCC1)C(F)(F)F 2027135937 JHNRQOTWPONCDJ-ZDUSSCGKSA-N 265.363 4.668 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H](C)CCC(C)C 2029830933 PLRPYWLIPVRNMV-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE 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30 10 CJEE CCCCCCCCCCOc1cccc(C(C)=O)n1 2239497954 HVYQTYCEZZZBNY-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)c1ccns1 2239549234 JELIJIQQGMVJFR-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE CCCCCCCCCCCOC[C@H]1CC[C@H](CN)C1 2239556746 MVDZPSZOWPLSFU-ROUUACIJSA-N 283.500 4.909 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CC(C)(C)C1(C)C 2240574783 SABPIUGUMNGPSE-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@]1(C)[C@H](NCCC)CCN1CC 2240640417 PZGXYPJELNIGNF-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](C)NCc1cc(C(F)F)no1 2240643631 AFOBUUFIHRLJCG-LBPRGKRZSA-N 288.382 4.841 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1csc(Cl)c1 2244641057 KFXZQDKDLXVHPP-ZDUSSCGKSA-N 258.814 4.746 30 10 CJEE CCC[C@H](CS)CSCC1CC(C(F)(F)F)C1 2250110150 APSJKRBWYJZABW-KPPDAEKUSA-N 286.428 4.654 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(F)c(Br)c1 2250145271 KJDBNZMUQNKYBW-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE CCCC[C@@H](CC)CSCC1(CS)CC(F)C1 2253026704 JNNSLYYUTCZLHN-IYXRBSQSSA-N 278.502 4.984 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CCC2(C)C)CC1 2254850539 VNJMZSOWHDLPTK-PBHICJAKSA-N 250.426 4.988 30 10 CJEE C=CCCCCCC[C@@H](O)C[C@@H]1CCCC12CC2 2255332933 QSHTWJQYEKJTNA-JKSUJKDBSA-N 250.426 4.844 30 10 CJEE C=CC1(NCc2csc(C3CC3)c2)CCCCC1 2256079766 CUBQUXXWTRHCPH-UHFFFAOYSA-N 261.434 4.604 30 10 CJEE C=CCCCCCCCSC[C@@H](N)CC1(C)CC1 2259052073 UFWBNGOWKUZLFW-HNNXBMFYSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(C)(C)C(F)F 2259209174 BDWQEKIXOFFGGY-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)c1ccc(F)c(Cl)c1 2259241596 NISCINMRELLUCE-GOSISDBHSA-N 289.803 4.631 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1CCCCC12CCC2 2259242641 ZBGNYHBHKFQGRF-HZPDHXFCSA-N 250.426 4.844 30 10 CJEE CCC[C@@H]1CCCN(CCCCCCCS)CC1 2263208252 RNHIRTCUWMYLFE-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCC[C@H](C)C1)NN 2265060617 ZYSXWTHRIWEQBN-YESZJQIVSA-N 268.489 4.785 30 10 CJEE CC1CC(CS)(CN(C)[C@H](C)C2(C)CCCCC2)C1 2265311746 KDSOBHUEZVGUBQ-ISXOHVOVSA-N 283.525 4.623 30 10 CJEE Cc1cc(NCCCCCC(C)C)cc(C)c1C#N 2265870371 YZXJQBUHRRPHNY-UHFFFAOYSA-N 258.409 4.803 30 10 CJEE C=CCCC[C@H](C[C@H]1CC(F)(F)C12CCC2)NCC 2266345482 DGDRZZXTPCGLRH-UONOGXRCSA-N 271.395 4.536 30 10 CJEE C=CCCCC[C@@H](NCC)c1c(F)cc(C)cc1F 2268230437 SVTCGBBZWQYFRA-OAHLLOKOSA-N 267.363 4.670 30 10 CJEE Cc1cc(Cl)ccc1[C@H](N)CC=CC#CC(C)(C)C 2268755420 SMYPAKGGKKOZDU-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE CCCCCCCCCC[C@]1(CO)C[C@@]1(C)COC 2269289679 NZNYHEIELKRTBX-DLBZAZTESA-N 270.457 4.552 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@@H]2C(F)F)CCCCC12CC2 2270058553 HVPDZDJUYLVSGA-HEHGZKQESA-N 267.363 4.922 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2nc(C)cc3sccc23)C1 2270606318 AIOGUPSQFDDRRA-BLLLJJGKSA-N 270.401 4.576 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1c(Cl)ccc(Cl)c1N 2271355955 TUQVLFLXEWUXDV-LLVKDONJSA-N 299.245 4.506 30 10 CJEE C=CCCCSc1ccc(CN[C@@H](C)CC)c(C)c1 2271584215 AYIKOQVVLVJUHG-HNNXBMFYSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCCC1(CNCC(C)C)CCSCC1 2271749892 IASPBKAEUHUEHR-UHFFFAOYSA-N 283.525 4.882 30 10 CJEE 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C=CCSc1ccccc1NCc1ncc(Cl)s1 225369710 UWVBIAREAKRXDK-UHFFFAOYSA-N 296.848 4.687 30 10 CJEE CCCCc1ccc(Oc2cc(F)cc(C#N)c2)cc1 227636700 HFORHOBYLBSWLB-UHFFFAOYSA-N 269.319 4.832 30 10 CJEE CCCCCCCC[C@@H]1CNc2ccc(OC)cc21 232939598 DBDGWZOHKGGHOU-CQSZACIVSA-N 261.409 4.955 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CC)CC[C@@H]1C(=O)O 234097036 YXCIERPMMFEZRJ-ZNMIVQPWSA-N 252.398 4.650 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Br)cc1C 235762875 DZUBEWFPTAQPOJ-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N 250815080 IXNKHRWXLHHFJM-BZUAXINKSA-N 269.473 4.516 30 10 CJEE CC[C@H](N[C@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1Cl 251242541 LZFLFBPLCUFBCT-LKTVYLICSA-N 297.229 4.726 30 10 CJEE C#CC[C@H](CC)N[C@H]1CCCC[C@H]1C1CCCCC1 252913236 NCUWEBSBEQFQNH-BZSNNMDCSA-N 261.453 4.517 30 10 CJEE C[C@H]1CCc2c(sc(N=Cc3cccs3)c2C#N)C1 254557115 HGYXXUSYHKZINQ-JTQLQIEISA-N 286.425 4.557 30 10 CJEE COc1c(C(C)(C)F)ccc(C)c1[C@H](CC#N)C1CC1 260415112 IGNHVXVUXKGRTN-CYBMUJFWSA-N 275.367 4.616 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@H]1CO 299981667 UGDDUCKUVHXMQW-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)CSC 302303140 AJPGTEVRCCYKJN-GJZGRUSLSA-N 259.503 4.714 30 10 CJEE CCCC[C@@H](C)[C@@H](CC#CC(C)(C)C)NCCC 306033644 QKXGMRBYWOOPAM-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CC(C)CC[C@@H](Nc1cc(C#N)ccc1Cl)C1CC1 311553753 MIBNTHYUOYXACX-OAHLLOKOSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H]2CCOC3(CCCCC3)C2)C1 312469269 FOPYFCJJSDVPIY-ZACQAIPSSA-N 275.436 4.836 30 10 CJEE N#C[C@]1(C2CCCCCC2)CCc2ccccc2C1 381842122 RMZGJHSQMBMAFS-SFHVURJKSA-N 253.389 4.656 30 10 CJEE Cc1ccsc1CN(C)CC1(CS)CCCCCC1 383855177 RAEWBYFTQCLPII-UHFFFAOYSA-N 297.533 4.759 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@]1(C#N)CCCC[C@@H]1C 384763363 AWQALTVKHJAXTJ-NHYWBVRUSA-N 292.766 4.528 30 10 CJEE CCc1csc(S[C@@H]2C[C@@H](CC)CC[C@H]2C#N)n1 394869299 WYMGSVDELJJAOL-GMXVVIOVSA-N 280.462 4.516 30 10 CJEE CCCCCCCC[C@@H](CCOC(C)C)NCC 395499269 ZUHVHPIWSSLGCO-INIZCTEOSA-N 257.462 4.530 30 10 CJEE 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C#CC[C@@H](C)C[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227501110 AOLHYPNSZWRCLR-OCCSQVGLSA-N 298.257 4.564 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 2230658857 JHZIAFJSVYWIRK-UYTYNIKBSA-N 262.437 4.988 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2230674853 VWTHUPPPPIWOHN-IKGGRYGDSA-N 263.469 4.785 30 10 CJEE CCCCCCCCCCO[C@H](C)CCCNCC 2231029464 ZMIKAARMDFUXPH-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE Cc1ccc(C#CC(=O)c2cc3cscc3s2)cc1 2231162393 NVJBVJSRGOUZHC-UHFFFAOYSA-N 282.389 4.506 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H](C)c1ccccc1 2232370041 ACZCCUXGPALWPD-RYRKJORJSA-N 259.437 4.761 30 10 CJEE CCC(CC)(CS)CN(C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233543370 MAYGMPHYNRXBRX-FVQHAEBGSA-N 297.552 4.871 30 10 CJEE CC(C)(C)C#C[C@H](N)c1ccc(-c2ccc(Cl)cc2)o1 2233783867 XUUFNNOEFOWIPP-AWEZNQCLSA-N 287.790 4.649 30 10 CJEE C=CCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCC 2234039386 ATLVMLGDADNXFX-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1ccc(OC)cc1 2235522571 WACPGLCYYKESST-QGZVFWFLSA-N 276.420 4.515 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)C1(C)CC(C)(C)C1 2235534503 ZNVYHXDLRIWNDQ-INIZCTEOSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1CC[C@@H]1OC 2236147175 NIWCDHULOFIKMN-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE CC1(C)CC(C)(C[C@]2(C=O)CCOC23CCCCC3)C1 2236531865 JAVZXVFMTMCEBI-KRWDZBQOSA-N 278.436 4.511 30 10 CJEE C=CC1(CN[C@H]2CCC23CCC(F)(F)CC3)CCCC1 2238029115 ZUCQQTGFOUEWDR-AWEZNQCLSA-N 283.406 4.681 30 10 CJEE C=C(CN(C)C[C@@H](F)C1CCCCC1)c1ccccc1 2238370073 MMDVEBUJXSHOQU-GOSISDBHSA-N 275.411 4.550 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](O)C12CCCCC2 2239455395 WELVYAWHGKFHIQ-SJORKVTESA-N 282.468 4.837 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(N)c(C(F)(F)F)c1 2239512948 JFPHFDFLRWDSKW-NSHDSACASA-N 287.325 4.801 30 10 CJEE CCN[C@@H](C#Cc1cccc(Cl)c1)C1(C)CCCCC1 2239558988 MFQGIONTLYUYIZ-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1CC[C@@H](COC)C1 2240613754 LKLQKJUHEJYTAQ-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCC2(CC2)CO1 2240655065 YHFJMZKKTSEXRA-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](C)NCc1cccc(C)c1O 2240656517 HIHSGGKPVSDAAE-INIZCTEOSA-N 277.452 4.929 30 10 CJEE CCCCCCCC[C@H](C)NCC1(CO)CCCCC1 2240666652 OPSBWBLLARUWQB-KRWDZBQOSA-N 283.500 4.658 30 10 CJEE C=C(C)CCCCc1ccc(Br)cc1 2241949777 CKMGGGKOSMUPRQ-UHFFFAOYSA-N 253.183 4.738 30 10 CJEE CCC(CC)CCNc1c(Br)cccc1C#N 2248958931 MEBYZLAGEGGSRJ-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCCC(C)(C)Nc1c(Br)cccc1C#N 2248966630 MIYQFIQZLWLHFB-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE C=CCCCSc1ccc(CNCCC)c(Cl)c1 2259043359 BRVVSEZHJYIYHI-UHFFFAOYSA-N 283.868 4.898 30 10 CJEE C=C[C@H](C)CCNCc1ccc(-c2cccs2)s1 2260401958 MNSNSKIRYKBNHA-LBPRGKRZSA-N 277.458 4.778 30 10 CJEE C#C[C@H](N[C@H](C)CCCCCCCCC)C(C)C 2263713286 RIBHKBYLIFAZNH-SJORKVTESA-N 251.458 4.763 30 10 CJEE CCCC[C@@H](CC)CSc1nc(C)ccc1C#N 2263780244 OTZAWQNLCIGFTK-CYBMUJFWSA-N 262.422 4.570 30 10 CJEE C[C@H](C(F)(F)F)C1(C=O)CCC(C(C)(C)C)CC1 2263844934 AITBYGPTYPCNQB-ZBOXLXRLSA-N 264.331 4.606 30 10 CJEE CCC#CC[C@@H](C[C@@H]1CCCCC12CC2)NCCC 2264902062 HUTLUCZDYLHMBI-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CC1CC(CS)(COC[C@H]2C[C@@H]2C2CCCCC2)C1 2265299336 JXSZDUPRHRMCQL-JCUPBUFNSA-N 282.493 4.566 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cc2cccnc2s1 2265361594 UOHCXGRSJNAXFQ-TZMCWYRMSA-N 274.433 4.549 30 10 CJEE CCCCCC#CC[C@@H](NC)c1csc(C2CC2)c1 2267855174 WKUBUHKTVYVNMM-MRXNPFEDSA-N 275.461 4.860 30 10 CJEE CCCCCCCC(=O)[C@H](O)c1cc(C)ccc1Cl 2268100371 SXDUSPIKZPLJAU-MRXNPFEDSA-N 282.811 4.611 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCCC12CCC2 2268731707 OALSJVJVJWGFDZ-OAHLLOKOSA-N 258.405 4.522 30 10 CJEE CCC[C@@H]1CC[C@@H](N)[C@H](CC=CC#CC(C)(C)C)C1 2268743426 RMYPYSFSCBQRHG-BRWVUGGUSA-N 261.453 4.526 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1scc(C)c1C 2268761752 HNGKLQYNXLONAQ-HNNXBMFYSA-N 275.461 4.621 30 10 CJEE CCCCCCCC[C@@H](CO)CCc1ccccc1 2271139290 WIOPELMHZVVISU-GOSISDBHSA-N 262.437 4.978 30 10 CJEE CC(C)(C)c1ccc(SCc2csc(C#N)n2)cc1 2271156651 TXNYOIOKRKYWHH-UHFFFAOYSA-N 288.441 4.605 30 10 CJEE C=CCCCSc1c(CNC(C)C)ccc(F)c1F 2271589218 DZBCCIDVVDTMLM-UHFFFAOYSA-N 285.403 4.521 30 10 CJEE C=C(C)CCCC[C@@H](CCc1ccc(C)cc1)NC 2271833296 NSOJLHAOZDJJPN-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CCC1CCC1 2273993063 LLGXCWBTPXGVBO-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=C(C)CC[C@@](CC)(CCCCC)OCCC(=O)O 2275332133 VARMRAINDNZJMR-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCC[C@@](C)(C[C@@H](C)CC(C)(C)C)OCCCN 2276607378 CSUBYTOGQKKCAX-RDJZCZTQSA-N 269.473 4.539 30 10 CJEE CCCCc1ccc(OCc2ccsc2C#N)cc1 2277463101 GLJUOWCDPCCSBI-UHFFFAOYSA-N 271.385 4.541 30 10 CJEE CC1(C)C[C@H]2C[C@@](C)(CN2CCCCCCCS)C1 2277503247 OGXCGYUKHUCTEZ-DOTOQJQBSA-N 283.525 4.767 30 10 CJEE CCCCC#CC[C@H](O)c1sc(C(F)(F)F)cc1C 2277881901 VDGQMBSHQPDZDJ-NSHDSACASA-N 290.350 4.692 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cncc(C)c1 2278172327 WULHBOBAMFMTHS-QGZVFWFLSA-N 263.425 4.738 30 10 CJEE CCCCCCCCCNc1cc(CO)ccc1C 2278711827 IVOSLPZAIOPRCK-UHFFFAOYSA-N 263.425 4.650 30 10 CJEE Cc1cc(C#N)ccc1NCC[C@H]1CCCCC12CC2 2279746050 BRGTVVVUZBNELF-MRXNPFEDSA-N 268.404 4.639 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)c1sccc1CC 2283082818 DHGARIJDBVCXSA-HOTGVXAUSA-N 297.508 4.683 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](O)c1cc(C)ccc1Cl 2283247486 VIHAKKGQSDIRAH-IAGOWNOFSA-N 297.870 4.630 30 10 CJEE CSCc1ccc([C@@H](O)CC=CC#CC(C)(C)C)cc1 2284084192 OPRWORJEKMEYSW-KRWDZBQOSA-N 288.456 4.579 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(F)cc1C(F)(F)F 2284101951 ZGZSWQZFEZDMRM-UHFFFAOYSA-N 284.296 4.993 30 10 CJEE CC[C@@H](C(=O)CC=CC#CC(C)(C)C)c1ccccc1 2284102275 DENXLRIORKOIJY-QGZVFWFLSA-N 268.400 4.745 30 10 CJEE CC(F)(F)c1ccnc(Oc2cc(Cl)ccc2C#N)c1 2284116780 YSLNQKDYILGJAX-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1C[C@H]2CCC[C@H](C2)C1 2284165702 VADBEWRKRRUFEB-MHORFTMASA-N 273.464 4.526 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)N)c(C)c1 2285124987 TZFRKKGOPDCCIU-INIZCTEOSA-N 276.468 4.811 30 10 CJEE C=CCCCCCCCSc1cccc(N)c1[N+](=O)[O-] 2287091302 WKKNMOZAKHPHDG-UHFFFAOYSA-N 294.420 4.796 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1c(C(C)C)nn(C)c1Cl 2287370161 OXETYJREYUGNGB-CYBMUJFWSA-N 297.874 4.594 30 10 CJEE C=C(C)CCCCOc1ccc(CNCCC)c(Cl)c1 2287469362 FPLFFXBRJGVBRP-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cccc(C)c1C 2289881055 KKUMNTIQFWHUCJ-IBGZPJMESA-N 269.432 4.538 30 10 CJEE C=C(CC)C[C@](C)(CCCCCCCC)OCC(=O)O 2292132515 MTQQQHGAUYZGFP-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@@H](CC1(CC)CC1)OCCC(=O)O 2292353623 RNPSBTYZCLRKCG-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCC#CC[C@](CCC)(OCCCN)C(C)(C)C 2292584550 VKHZGZUXHGVUFE-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCC[C@H]1C2)OCCCN 2292844928 BJJLAPSXINOHHJ-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=C1CCC(C[C@H](OCCN)c2cc(C)sc2C)CC1 2292910249 VYBKBZSASXKPRG-KRWDZBQOSA-N 293.476 4.518 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1CCC[C@@H]1C 2293179117 ZNGGYZHRISXMRS-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1ccccc1-c1ccccc1 2294685380 OIXYSSHOTMYBSY-BEFAXECRSA-N 265.400 4.826 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H]1C[C@H]2CC[C@H]1O2 2295578600 AFAKMXGOBFJHMX-BRSBDYLESA-N 281.484 4.802 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cn(CC)c(C)n1 2295582832 IHEUZOMARCFEDN-KRWDZBQOSA-N 279.472 4.526 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@]1(CN)CC[C@H](C)C1 2295587239 ASXLAEHLLAPNMJ-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE CCCCCCSC[C@@](C#N)(NCCC)C1CCCC1 2295710370 GLNFLVPPQZZLPB-QGZVFWFLSA-N 296.524 4.752 30 10 CJEE C=C[C@H](C)C[C@H](O)c1ccc2oc3ccccc3c2c1 2295799688 OXXBDBAYVAHSOM-LRDDRELGSA-N 266.340 4.832 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1c(C)cccc1Br 2301057505 JYXFARJZJPTIAM-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 2313661063 LVGXFZPDYVJWDG-SQWLQELKSA-N 263.450 4.959 30 10 CJEE Cc1ccc(F)c(C(=O)C=C2CCCCC2)c1Cl 2314012401 WWPQYVIHENCWRF-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE C#CCCCCCNCc1ccc(Cl)c(Cl)c1C 2316678285 NZNKBGURTWNBRO-UHFFFAOYSA-N 284.230 4.585 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc2sccc2s1 2316748464 AJZSHEDEKMTLLM-HNNXBMFYSA-N 277.458 4.992 30 10 CJEE C=CCC(CC=C)[C@@H](CC(CC)CC)NCCC 2316752257 MRPUZDCUTSMCTG-QGZVFWFLSA-N 251.458 4.949 30 10 CJEE C=C[C@@H](C1CC1)N(C)Cc1ccc(Cl)c(Cl)c1C 2316828602 FDJSRCJDXAKOKI-AWEZNQCLSA-N 284.230 4.698 30 10 CJEE C=CC[C@@H](CNCC(C)C)CC1CCCCCC1 2316936831 GUXBPGLMIOFWKD-QGZVFWFLSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@](C)(N)[C@H](CC1CC1)C1CC1 2320771886 KWMKQZNHBIDQHD-IAGOWNOFSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCCC(C)(C)C1)NCC 2321097241 ZTOQQZLOULMVKC-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC[C@H]1C[C@H]1C)NC 2321112621 HLUKRGMLIXKPLM-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(Cl)cc1Cl 2321223577 HGLIHINEQRDQIR-LSDHHAIUSA-N 287.230 4.889 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C(F)(F)F)s1 2321228112 KOVJHZVXJVJFEP-NEPJUHHUSA-N 278.339 4.793 30 10 CJEE O=CC1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCCC1 2327664920 DIMMBMGSZDFXOS-TXEJJXNPSA-N 262.315 4.505 30 10 CJEE CCCCCCCCNC(=O)C=Cc1ccccc1Cl 2329004724 JEOXBKCGDXSVKB-UHFFFAOYSA-N 293.838 4.830 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]1CF 2333365435 LNRUAHRCCCXCCT-BRWVUGGUSA-N 269.448 4.877 30 10 CJEE C=CCC(CC=C)N[C@H](C)C1CCC(C(C)C)CC1 2335098601 LWKHOIFJYPXWKE-KLAILNCOSA-N 263.469 4.948 30 10 CJEE C=CCCCCCCCSCC(C)=CC(=O)OCC 2335873527 RLTCGSPXVROGHH-UHFFFAOYSA-N 284.465 4.756 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC1C[C@H]2CCC[C@H](C1)C2 2337156561 ZWSHPYXFGMZIDN-CWLKWCNXSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCOCCCCCCC(=O)O 2337974613 MGDQCOGGNGCHGH-UHFFFAOYSA-N 272.429 4.789 30 10 CJEE CCN[C@H](C#Cc1cccs1)C[C@@H](C)CC(C)(C)C 2338243918 MKJRUGLREYKDRR-HUUCEWRRSA-N 277.477 4.540 30 10 CJEE CC(C)(C#N)c1ccnc(Sc2ccc(Cl)cc2)c1 2338337754 XDJOWNZJXBDEQX-UHFFFAOYSA-N 288.803 4.687 30 10 CJEE C=CCC(CC=C)N(C)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2338730898 VKOUKGNUFZWMGA-ZOBUZTSGSA-N 261.453 4.511 30 10 CJEE Cc1c(C(=O)[C@@H](C#N)[C@@H]2CC2(C)C)ccc(Cl)c1Cl 2339051559 BJVYHHQSTDUCSX-QWRGUYRKSA-N 296.197 4.670 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NCC 2341900651 YHXVAZZDOOEQMX-FPSMNIFISA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)[C@H]1CCCC(F)(F)C1 2344336799 LTUMFHZLWKXYHB-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H]1C[C@H]1C1CC1)NCCC 2344381261 MPFRBMUXJIQMGY-IXDOHACOSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C#CC1CCCCC1)NCC 2344385443 PPGCPAOGVTVXIE-ZWKOTPCHSA-N 261.453 4.541 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)[C@@H](C)C[C@H]1C 2352021256 LGHQFGZRWCMSQC-FOLVSLTJSA-N 284.465 4.746 30 10 CJEE CCC1C[C@@H]2CC[C@H](C1)N2C[C@](C)(CS)C(C)(C)C 2352101783 XSWDSXUVRBKFOO-UCMJJCQDSA-N 283.525 4.622 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCC(F)(F)C1 2352785322 HXHTXOUEVSBHBZ-OUAUKWLOSA-N 281.268 4.684 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352823096 LRFABJGGLIWVRF-MQYQWHSLSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@](C)(C(=O)O)N(C)[C@H](C)CC(C)C 2353862929 LOGPEIASKPAPMU-NVXWUHKLSA-N 285.472 4.557 30 10 CJEE CCCCCCCCCCO[C@@]1(C)C[C@H]2C[C@@H]1C[C@H]2N 2355707523 JODIJDIFJMGOOT-TVFCKZIOSA-N 281.484 4.660 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](O)[C@@H]1C[C@H]1CCC 2357786746 XMTUSKFSAJYASN-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 2360212969 NKGQVDMNESEQHU-LBPRGKRZSA-N 283.337 4.877 30 10 CJEE N#CC1(c2cccc(Br)c2)CCCCCC1 37382591 UCXIYLKFRITYIG-UHFFFAOYSA-N 278.193 4.565 30 10 CJEE C=CCN[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 43512852 DPGJXXBMFAVUAA-QMMMGPOBSA-N 297.242 4.561 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)cc1Cl 50325356 STZLOADOIBXAME-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE CCc1cccc(OCC[C@@H](C#N)c2ccccc2Cl)c1 57685393 NIDJVFONIIVVRO-HNNXBMFYSA-N 299.801 4.979 30 10 CJEE CCCCCCCNc1ccccc1Br 59089033 UWKOSJWPIDHMNE-UHFFFAOYSA-N 270.214 4.831 30 10 CJEE CCCCCCCSc1ccc(Cl)cc1N 59089451 FNSWFNQNQFEYPG-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(Cl)cc1 59211532 RKUJVXVTBZRJNC-HNNXBMFYSA-N 277.795 4.877 30 10 CJEE C[C@@H]1CCC[C@@H](CCNc2cccc(Cl)c2C#N)C1 70539799 JAMYWFRDJNJUCB-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE CCCOc1cccc(/C=N/Nc2ccc(C)c(C)c2)c1 82252350 ANAQRQTVXSTIAD-CPNJWEJPSA-N 282.387 4.538 30 10 CJEE O=C(/C=C/c1ccco1)c1ccc(Cc2ccccc2)cc1 83193388 YFCMFBHDJNJPBZ-OUKQBFOZSA-N 288.346 4.767 30 10 CJEE CC(C)C1CC(C#N)(c2cccc(C(F)(F)F)c2)C1 86557851 SCBJCLWTZBJISD-UHFFFAOYSA-N 267.294 4.533 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cc(C)cc(C)c2)CC1 91883830 XBEULZHAGABKFJ-CUYAVPTFSA-N 285.431 4.837 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)[C@H](C)c2ccccc2)CC1 91884777 KABBADNSZWVFQY-ZJZKXORJSA-N 285.431 4.507 30 10 CJEE C=C(CC)C[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 97208328 FGKAXQYUJREBGB-KRWDZBQOSA-N 274.448 4.861 30 10 CJEE CC#CCC[C@H](NCCC)[C@H]1CCC[C@H](C(F)(F)F)C1 97417239 BDGWFCPGWMDDSQ-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=C(C)CC[C@@H](CCCc1ccccc1)NCCC 97419394 CWRQATORXQXPEH-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Oc1cc(C)cc(C)c1)C2 100937306 BBKMYNUJHJVOQR-HNAYVOBHSA-N 284.399 4.591 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1)C(=O)O 107241207 ZVXUXVZPYBWFTJ-INIZCTEOSA-N 262.393 4.681 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(C)c(C)c1 108972425 GVKOXEOSSVGKRA-KRWDZBQOSA-N 271.404 4.840 30 10 CJEE CCc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1 110253124 IJOSBFJFURUUCC-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@H](N)C1 112200419 QIFOPWFPGOVHSB-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CC[C@@H]1O2 112314018 WGVOFFVAFGKKPY-XSLAGTTESA-N 281.484 4.673 30 10 CJEE CCCCCCCCCCCC[C@H](COCC)NC 115249297 XXQCXLRBSCUKPW-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(OC)c(F)c1 115856534 LJCJZPIHOUUVQI-INIZCTEOSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1COc2ccccc21 125017690 LVHNMHTXNUCRFP-ROUUACIJSA-N 289.463 4.891 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(F)c(Cl)cc1F 125657293 VWYOTXWWCBNCFN-AWEZNQCLSA-N 273.754 4.625 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cccc(SC)c2C#N)C1 127072034 PKMMFAFJNKRYCD-STQMWFEESA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCN(CCC)CC1 129239298 XVJJDQCHDWPKOP-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCCC[C@H](NN)C1(C)CCCC1 130007629 MQIWWAIKWCITEQ-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE CCC(C)(C)c1ccc(Oc2nccc(C)c2C#N)cc1 135090165 SPPADSOZFZANEW-UHFFFAOYSA-N 280.371 4.742 30 10 CJEE CSc1cccc(Oc2ccc(Cl)c(F)c2)c1C#N 136723541 WHONNOBNVAGSQA-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(CC)nn1CC 140319699 DGVDRVJRDURCMK-QGZVFWFLSA-N 293.499 4.867 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1snnc1C 143434403 PZIOKYWLTAGZON-CQSZACIVSA-N 283.485 4.638 30 10 CJEE CCCCCCCCCC[C@H](O)c1cncs1 147484146 OBHOYXJPGHQBGH-ZDUSSCGKSA-N 255.427 4.707 30 10 CJEE CCc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 166532744 PIYBYVAIWMVDSD-GHXNOFRVSA-N 270.759 4.799 30 10 CJEE CCCCCCCCCCN1CCC(C)(C(N)=S)CC1 226326149 LZGHEBNSMQHSCZ-UHFFFAOYSA-N 298.540 4.515 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Cl)cc1C 235838588 PGHOJQKVAJGTAV-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)CCCc2ccccc21 250851385 LYJIALFRJTZKMO-XPYUAMARSA-N 265.400 4.611 30 10 CJEE CC(C)c1cc(Br)cc(C(C)(C)CC#N)c1 260690126 XNTHMKHWCBAULI-UHFFFAOYSA-N 280.209 4.764 30 10 CJEE CC/C(=C/B1OC(C)(C)C(C)(C)O1)c1cccc(Cl)c1 306616608 QISNARXJLKFDFK-QXMHVHEDSA-N 292.615 4.765 30 10 CJEE Cc1cc(Sc2cc(Cl)ccc2Cl)cc(C#N)n1 308300308 MXSDECUDHUUUKG-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE C=C(C)CC[C@H](NCCC)C(C1CCC1)C1CCC1 311327605 BLFDTRKMFMXAKE-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE C=CCOCCNCCCCCCCCCCCC 311954993 NTIDHOPLYPHVBH-UHFFFAOYSA-N 269.473 4.700 30 10 CJEE C=C(CC)CN[C@H](c1ccccc1)c1ccccc1C 313485561 SBDIWSMSRVKDMU-LJQANCHMSA-N 265.400 4.640 30 10 CJEE C=C(CC)CN[C@@H](CCC)c1ccc(Cl)cc1 313489162 RHOWKMYCYHJIRW-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C=CCOc1ccccc1CNCC1CCC(C)(C)CC1 314240318 YAVWUFVIVVJGOV-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CCCc3ccccc32)C1 316693140 HPLQANBOUBKMPQ-SZVBFZGTSA-N 270.416 4.892 30 10 CJEE C[C@H]1C[C@H](C2(C=O)CCCCCCC2)CC[C@H]1C 316803407 NPUHIDJVHOMJRH-OWCLPIDISA-N 250.426 4.988 30 10 CJEE CC#CCC[C@]1(CNCC(C)C)CCC[C@H](CC)C1 318111918 XHEWEWLKFYNTQF-ROUUACIJSA-N 263.469 4.622 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1C[C@H]2CC[C@H]1C2 382339485 ZZFMQIRKWJEHCM-JYJNAYRXSA-N 283.525 4.623 30 10 CJEE CC(C)CCCCC[C@]1(C#N)COc2ccccc2C1 383411338 XBAFTTKFNQDREJ-SFHVURJKSA-N 271.404 4.738 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cc(Cl)sc1Cl 384970928 PFEXNHGQGCGKPL-QMMMGPOBSA-N 278.248 4.918 30 10 CJEE CCCCCCCCCCC(=O)Cn1cnc(C)c1C 396090669 ZZPGUNDYJHEIBX-UHFFFAOYSA-N 278.440 4.600 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnc(C)cc1C 397453746 XVZQCYCYDXGSBP-SFHVURJKSA-N 274.452 4.876 30 10 CJEE CCCCCCCC[C@@H](CCC[C@@H]1CCOC1)NC 400983667 XDEGAJMDAHOGCX-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H](C)CC(F)(F)F 402978221 FVIJOCXNTNQEDV-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE CCCCCCCC(=O)C[C@H](CC)NC(=O)OC(C)(C)C 405644998 ZTNHMISGDGDHLA-AWEZNQCLSA-N 299.455 4.609 30 10 CJEE C[C@H](NCC1CCC(C#N)CC1)c1ccc2ccccc2c1 442122274 FMBQPALNPPJQFV-GTPINHCMSA-N 292.426 4.820 30 10 CJEE C=C(C)C[C@H](N)c1cc(C(F)(F)F)ccc1C(F)(F)F 575245058 SGTJDSCJXRHJTA-NSHDSACASA-N 297.242 4.690 30 10 CJEE C[C@@](C#N)(CC1CCCC1)Nc1cccc(Cl)c1 689725921 FGYWIWLMFCOXJH-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2cccc(C)c21 692190798 LZNXMMDJHBJBSE-DZGCQCFKSA-N 286.444 4.941 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2c(F)cccc21 692191507 RBGSIMPIJWNTBG-WCQYABFASA-N 290.407 4.772 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC(C(C)C)C(C)C 692255521 SVGAFZBZQOAIHL-WBVHZDCISA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693306199 KSYHHUUUZWQSHE-LXTVHRRPSA-N 273.411 4.746 30 10 CJEE CN([C@@H]1CCCCC[C@H]1C#N)[C@@H]1CCC12CCCCC2 694287359 SKXVMQPEWMBAMR-GVDBMIGSSA-N 274.452 4.504 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)c(F)c(C)c1 694931373 WXRIYGCRCGMRBP-INIZCTEOSA-N 280.431 4.698 30 10 CJEE C=CCCCCC[C@H](NCCC)C(C)(C)C(F)F 698499437 CXLGOJWXMXRCTL-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE CCCc1ccccc1Oc1ccc(C#N)c(Cl)c1 699506843 OLJQSYROQBUXHK-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1c(C)cc(C)cc1C 701871020 DIBOLEXUHSBKBM-MRXNPFEDSA-N 259.437 4.865 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1oc2ccccc2c1C 701896707 UWLNVRXXMBBWGZ-AWEZNQCLSA-N 271.404 4.994 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H]1C[C@@H](C)CC(C)(C)C1 709181721 DUJBVPLOTUKNKX-CZUORRHYSA-N 270.420 4.518 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CSc2ccccc21 709356275 SOYMAFPCYSTMRV-BMFZPTHFSA-N 273.445 4.558 30 10 CJEE CC[C@@H](CC(=O)[C@H](C#N)c1ccc(C)cc1)C(C)(C)C 711148186 RBDPLBKOQHLPBV-JKSUJKDBSA-N 271.404 4.634 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1(OCC)CCCCCC1 715755812 ZXZBBTVIRSGSLT-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1C[C@@H](C)CO1 718530099 IKWPOVRHDVIQPA-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](C)C(=O)NC1(CC)CC 721782774 WPXPGRJDPSFGBV-GOEBONIOSA-N 267.457 4.678 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H](C)O[C@H](C)C1 724299148 IJESNHQPCAGPAH-LTIDMASMSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](CCC)CC[C@@H]2CN)CC1 724619030 USRKHLGZZNOARD-JQHSSLGASA-N 263.469 4.914 30 10 CJEE N#Cc1csc2c(C(F)F)c(C(F)(F)F)ccc12 725277063 YZPIEIPOLUGPSU-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=C(C)CN(C)C(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1131454899 OWKLYXPDZUEOOL-ROUUACIJSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](NC(=O)C1CCCCC1)c1ccccc1 1133168180 OCHBKDGAOYLBCE-SFHVURJKSA-N 285.431 4.781 30 10 CJEE C=C1CCC(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)CC1 1138551143 AEVCYZSDYJBBIU-MRXNPFEDSA-N 289.463 4.552 30 10 CJEE N#CCc1ncccc1-c1cc(Cl)c(Cl)cc1Cl 1242785992 YRXUUYISQJYBGR-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC[C@@H](NC(=O)C=C1CCC(C)CC1)c1ccccc1 1266421336 MKLIAQDRHAHNHR-LRTDYKAYSA-N 297.442 4.947 30 10 CJEE C=CC(C)(C)CCNCc1ccc(-c2ccccc2F)o1 1308474259 BDXIABSGIBIFIX-UHFFFAOYSA-N 287.378 4.778 30 10 CJEE C=CCC(CC=C)C(=O)N(Cc1ccc(CC)cc1)C1CC1 1358223616 HNXFCVOLCHGJOL-UHFFFAOYSA-N 297.442 4.508 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(OC)c2cccnc12 1462105420 PAWDUCBHZREBOW-AWEZNQCLSA-N 284.403 4.790 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C=C 1467150770 FAPRDYDQDNNMPQ-RDJZCZTQSA-N 284.403 4.586 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@@H](c2cccnc2)C1 1474255894 BOTJREXHNCEILA-AEFFLSMTSA-N 286.463 4.690 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 1474544744 VDRGILCOVADUFG-ZWKOTPCHSA-N 271.448 4.590 30 10 CJEE C=CC[C@@H](C(=O)NCC1CCC(C)(C)CC1)c1ccccc1 1521495530 ZXQJDVRLSHPBOV-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CCCC[C@H](C(=O)N(CC)CCCC)c1ccccc1 1524107943 HFAUYJQKZIULQY-SFHVURJKSA-N 287.447 4.775 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CC1(C)CCCCC1 1529306414 VCZBFYQFRNIADJ-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCCC(=O)O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1 1529759414 VIQZCEMPUFWIDL-GOEBONIOSA-N 292.806 4.561 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CC1CCCCCC1 1532846671 UWHUYLQKOFDSEE-UHFFFAOYSA-N 285.431 4.562 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@@H](C)c1ccccc1C 1537467507 WTGFDGDWUNZLSE-MRXNPFEDSA-N 287.447 4.597 30 10 CJEE C=CCCCCCCN[C@@H](C)c1cc2cnccc2o1 1560821463 URMAZOGPPTWIHR-AWEZNQCLSA-N 272.392 4.615 30 10 CJEE C=CC1(CC(=O)N[C@H](C)CCC=C(C)C)CCCCC1 1587753855 SBKWRIKYZZRJKM-MRXNPFEDSA-N 277.452 4.764 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCc3ccc(C)cc32)CCCCC1 1616320549 RDNJJGOQKXXVJI-GOSISDBHSA-N 297.442 4.625 30 10 CJEE C=CCCN1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C 1616426511 MEHNRSZULLXHOS-LAUBAEHRSA-N 291.438 4.641 30 10 CJEE C=CCCNC(c1ccccc1C)c1ccccc1C 1617031516 UXYAPSPRWXOERD-UHFFFAOYSA-N 265.400 4.559 30 10 CJEE C=CCCS[C@H](C)c1cccc(Br)c1 1641162967 NXRZWDIKDYFXNA-SNVBAGLBSA-N 271.223 4.819 30 10 CJEE C=CCN(C)[C@H](C)c1ccc(Oc2ccccc2)cc1 1642795601 YQFYTHRJEYWUJM-OAHLLOKOSA-N 267.372 4.658 30 10 CJEE N#Cc1ccc(C2=CCN(CCCC3CCCC3)CC2)cc1 1645153487 FGTDBNWRILDMPS-UHFFFAOYSA-N 294.442 4.618 30 10 CJEE C=C(C)c1cccc(NCc2nc3c(s2)CCCC3)c1 1651651213 DWPIBUFTBXXJLO-UHFFFAOYSA-N 284.428 4.667 30 10 CJEE C=CCC[C@H](CC)Nc1cccc2c1OC(C)(C)C2 1652380604 NLYVZPHOUOYGAO-AWEZNQCLSA-N 259.393 4.557 30 10 CJEE C=CCCCCN[C@H](CC)c1ccccc1OC(F)F 1653957997 YXZDRTTZTIRBCI-CQSZACIVSA-N 283.362 4.685 30 10 CJEE C=CCCCCCOc1c(C#N)cnc2ccc(C)cc12 1656585427 XOCIJHJAFHXAOU-UHFFFAOYSA-N 280.371 4.540 30 10 CJEE C=CCCc1ccccc1N[C@H](C)Cc1cccc(F)c1 1658981111 SPDBCWBJXQIRED-OAHLLOKOSA-N 283.390 4.987 30 10 CJEE C=CCC1(NCc2cncc(Cl)c2Cl)CCCCC1 1659218378 AYLQJBFYTSZBAO-UHFFFAOYSA-N 299.245 4.757 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(OC(F)F)cc2F)C1 1659594134 ATEWCERWCOKHNX-WDEREUQCSA-N 285.309 4.584 30 10 CJEE C=CCCCC[C@@H](C)Nc1cncc2c1CCCC2 1665222280 BBGVSORIQCBCHE-CQSZACIVSA-N 258.409 4.507 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 1665769007 WHOAKHDCVARRON-AWEZNQCLSA-N 292.810 4.611 30 10 CJEE C=CCN(CC=C)C(=O)C[C@@H]1CCCC[C@@H]1c1ccccc1 1866373562 WAFXOVQDGHEBIC-RBUKOAKNSA-N 297.442 4.551 30 10 CJEE O=CC1(C2CC(c3ccccc3)C2)CCCCCC1 1875796473 RTBNYXRAJZLSHT-UHFFFAOYSA-N 256.389 4.720 30 10 CJEE CCCCCCCCN(C)[C@@H](C)c1ccccc1O 1877537723 IPCJBCNVDDPDGE-HNNXBMFYSA-N 263.425 4.746 30 10 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257.421 4.657 30 10 CJEE C[C@@H](SCCc1ccccc1)c1ccc(C#N)cc1 609826068 NFBBGWNKLQHZTE-CQSZACIVSA-N 267.397 4.595 30 10 CJEE C#CCCCCCC(=O)Cc1cccc2ccccc12 686698117 WCRRQXPODGALGX-UHFFFAOYSA-N 264.368 4.535 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(C#N)Nc1ccc(F)cc1 691090988 SOTXHSCNCVBQLP-SJORKVTESA-N 274.383 4.736 30 10 CJEE CC[C@](C)(Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 691630455 AEVUHZGFBQQGBX-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)cc(Cl)c1 692275723 MVPQGDPKZPBLGL-NVXWUHKLSA-N 277.839 4.873 30 10 CJEE CSc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1C#N 695872556 OXKHIIJOBQNPNE-UKRRQHHQSA-N 286.444 4.661 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](COC)C[C@H]1NCCC 698809903 COJCOTLVMDBICB-KZNAEPCWSA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@]1(C)CC1(F)F 701608736 SGTPRFDZMQKULP-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE CCCCCCCOc1c(F)cccc1Br 706993795 MTSGFQQIQSFTTD-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](C)[C@@H]1CCCO1 720206647 MWPMGRIJRPMBFK-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@H](CC1C[C@H](C)O[C@@H](C)C1)NCC 724528819 BGIJDYRKIGMNJW-XYJFISCASA-N 283.500 4.919 30 10 CJEE C=C1CCC(CNc2ccc(Cl)c(F)c2)CC1 724549035 AGYNMHINGUTLCN-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H](CCC)CC(C)C)CC1 724571917 YCSSFZHYHCLOKB-IRXDYDNUSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@H](N)c2ccccc2Br)CC1 724582891 PFDICXBMOOYLKH-HNNXBMFYSA-N 294.236 4.585 30 10 CJEE C=C1CCC(C[C@H](CCc2cccc(C)c2)NC)CC1 724617099 LOTCGXVWLFSQMV-IBGZPJMESA-N 271.448 4.652 30 10 CJEE C=C1CCC(C[C@H](Cc2cc(C)ccc2C)NC)CC1 724620469 ZENUTDXDBSRXSJ-LJQANCHMSA-N 271.448 4.570 30 10 CJEE C[C@@H](C=NOCc1ccc(F)cc1)c1cccc(Cl)c1 758142989 BMKFPMCADSJTFX-LBPRGKRZSA-N 291.753 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCCCC1(F)F 821997360 SHHMOGUEFDAARM-QLFBSQMISA-N 271.395 4.536 30 10 CJEE C=C[C@H](CC(=O)N1CCCCCCCC1)c1ccccc1 1129076451 KVYMZLRLQHLWAC-QGZVFWFLSA-N 285.431 4.529 30 10 CJEE C=C(CC)CNC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1129841248 BOZVAPJBKLCANL-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1134474627 GDLCWHLQWMATHZ-AEFFLSMTSA-N 299.458 4.631 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H](C)c2ccccc21 1138106393 MKGPGIUMGUCUDI-CQSZACIVSA-N 271.404 4.519 30 10 CJEE Cc1nsc(N[C@@H]2CCC[C@H](C(C)(C)C)CC2)c1C#N 1163068866 FXDZOVXTAKFKGE-QWHCGFSZSA-N 291.464 4.730 30 10 CJEE C=C(C)CCNC1(c2cccc(Cl)c2)CCCC1 1168486290 JJHJCHYXNBYUBR-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE C=CCC[C@@H](CC)NCc1cccc(OC(C)(C)C)c1 1183663633 YXVLYDBRKRNFQQ-MRXNPFEDSA-N 275.436 4.698 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(OCC(C)C)c2)C1 1195955193 PHCOYMVXACDOPJ-KRWDZBQOSA-N 287.447 4.510 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cccc(C2CC2)c1 1202797507 KUVCAXDIOFLKRU-OAQYLSRUSA-N 291.438 4.841 30 10 CJEE C=CCCCC[C@H](C)NCc1oc2ccccc2c1OC 1205453539 JDHIIQDXFBYKOT-AWEZNQCLSA-N 287.403 4.666 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 1265047137 CDCQEJPWHZEOGB-ZDUSSCGKSA-N 291.460 4.578 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC(C)(C)C)CC(C)(C)C 1266986385 VBVGSVPLTSMVKQ-AWEZNQCLSA-N 267.457 4.510 30 10 CJEE C=CC1(CC(=O)N2CCC[C@]2(C)CC(C)C)CCCCC1 1273415726 TXAIEIJQPLXWOW-GOSISDBHSA-N 291.479 4.940 30 10 CJEE C=C(C)CCC(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1288171482 UATOGAZLRYTWOV-ROUUACIJSA-N 299.458 4.821 30 10 CJEE C=CC1(CC(=O)Nc2ccc3ccccc3n2)CCCCC1 1347835004 JMUWVIHKMNHZDP-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(CCC)cc1)c1ccccc1 1349028483 FRNBSSPGGVFGRZ-IBGZPJMESA-N 293.410 4.938 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)[C@H](CC)c1ccccc1 1353444644 RFYNLILSCUNGKN-FUHWJXTLSA-N 287.447 4.979 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)[C@@H](CC)c1ccccc1 1354079362 RJBBDHUMJGBYII-RDJZCZTQSA-N 273.420 4.589 30 10 CJEE C=CCC[C@H](C)NCCCCc1ccc(Cl)s1 1462233959 JKUGVSNMEIPPHM-LBPRGKRZSA-N 271.857 4.669 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C(CC)(CC)c2ccccc2)C1 1469919607 DGDMQQMIEGXIRR-QGZVFWFLSA-N 299.458 4.559 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1C 1470426566 PJFHPYYCROEBDZ-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 1474168180 RRHHROGSQSPGGU-FVQHAEBGSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@H](c2cccnc2)C1 1474255897 BOTJREXHNCEILA-WMZOPIPTSA-N 286.463 4.690 30 10 CJEE C=C(C)CCC(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1524938881 KXMJCPIPWGTZFY-HNNXBMFYSA-N 271.404 4.519 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1csc2ccccc12 1527316567 JMKLOGLDXMJGBE-MRXNPFEDSA-N 274.385 4.547 30 10 CJEE C=CC1(CC(=O)N2CCCc3cc(C)ccc32)CCCCC1 1529604304 LRGCXYPUFVEVIG-UHFFFAOYSA-N 297.442 4.801 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2C(=O)CC)CCCCC1 1531132269 GTNBGCZEFHCTFE-UHFFFAOYSA-N 299.414 4.744 30 10 CJEE C=C(C)c1cccc(NC(=O)c2sccc2CC)c1 1539557795 FLJZABCMICJHEI-UHFFFAOYSA-N 271.385 4.596 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](C)CCCCCC)c1ccccc1 1540574068 BEGREDZVXOIGAW-DLBZAZTESA-N 287.447 4.821 30 10 CJEE C=C(C)CNC1(c2ccc(C(C)(C)C)cc2)CCCC1 1559681800 QWZSXIHVADOZEC-UHFFFAOYSA-N 271.448 4.919 30 10 CJEE C=CC[C@H](C)NCc1ccccc1-c1ccccc1C 1560337185 WCHRJBRFNDSDNE-INIZCTEOSA-N 265.400 4.716 30 10 CJEE C=C[C@H](CC(=O)O[C@H](C)c1ccccc1F)c1ccccc1 1584091634 AVWAQDFENJDJSO-HUUCEWRRSA-N 298.357 4.790 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CC=CC[C@H]1C)c1ccccc1 1617174144 NZCKDIIDBVSCNX-NZSAHSFTSA-N 297.442 4.597 30 10 CJEE C=C[C@H](C(=O)N(CC)c1cccc(Cl)c1)c1ccccc1 1624187957 AOEJNUYNHYNTIN-KRWDZBQOSA-N 299.801 4.663 30 10 CJEE C=CCC1(C(=O)N2CCC[C@](C)(CC)C2)CCCCC1 1628716293 ZSMCEQPTHLYHHP-KRWDZBQOSA-N 277.452 4.552 30 10 CJEE C=CCCCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 1640961159 OGXOXYIWJNUCMK-UHFFFAOYSA-N 297.354 4.531 30 10 CJEE C=CCCCN(Cc1ccccc1)C1CCCCC1 1652329638 ROLHPGUNXZSDCT-UHFFFAOYSA-N 257.421 4.788 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2c1cc(C(C)(C)C)nc(C(C)C)n1 1655694126 RUMJVHUXWYZAKP-GASCZTMLSA-N 299.462 4.585 30 10 CJEE C=CCCCCNC/C=C\c1cc(C)c(C)cc1C 1656132939 IJNZAOLTAQDEJK-KTKRTIGZSA-N 257.421 4.571 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc(-c2ccccc2)cc1 1657538328 REPDZLXWBTWBSW-QGZVFWFLSA-N 294.398 4.830 30 10 CJEE C=CCCc1ccccc1NCc1cccc2[nH]ccc12 1657846290 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C=C(c1ccccc1)[C@@H](NC)c1cc2cscc2s1 1888688034 CPPLRDCHYBSNEA-MRXNPFEDSA-N 285.437 4.937 30 10 CJEE C=C(C[C@H](NC)c1ccccc1Cl)c1ccccc1 1888700422 FSFIBDAXGIDTLQ-KRWDZBQOSA-N 271.791 4.704 30 10 CJEE C#CC[C@@H](CN(Cc1ccccc1)CC(C)(C)C)C1CC1 1892865486 VDJMJEFIOIVJRM-IBGZPJMESA-N 283.459 4.584 30 10 CJEE CC(C)C1CCC(C#N)([C@H]2C[C@@]2(C)C(F)(F)F)CC1 1909638836 XOVLMDBVHLMKCC-YIFLHPOLSA-N 273.342 4.931 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc(C=O)cc1Cl 1914551334 QLCUODCBUCYNQJ-UHFFFAOYSA-N 299.801 4.735 30 10 CJEE CC(C)(C)[C@@H]1CSC(=N[C@H]2CCC3(CCCCC3)C2)N1 1915908146 LYEYRJXSTWLOCC-KBPBESRZSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[S@@](=N)(=O)c1ccccc1F 1917888693 LIYLWNBGAVZNST-GOSISDBHSA-N 271.401 4.592 30 10 CJEE C=CCOc1ccc([C@H](O)C2=CCCCCCC2)cc1 1920022704 MAEZUTVXGHMQKU-GOSISDBHSA-N 272.388 4.565 30 10 CJEE C=CCOc1ccccc1[C@H](O)[C@H]1CCC[C@@H](CC)C1 1920027725 IPORAPKQCYPKJM-RVKKMQEKSA-N 274.404 4.501 30 10 CJEE C=C([C@@H](NCCC)c1csc(C)c1)[Si](C)(C)C 1922989855 QCAJOFXKKDGEAA-CQSZACIVSA-N 267.514 4.531 30 10 CJEE CCCCCCC[C@]1(F)[C@H](CN)CCC12CCC2 1924961619 CLMBROZVTMFNEM-HOCLYGCPSA-N 255.421 4.594 30 10 CJEE CC(C)(C)C1CCC([C@@]2(C#N)CCCS2)CC1 1941150969 SZBWVOPTKWBOPB-PIMMBPRGSA-N 251.439 4.628 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1cccc(Br)c1 1944475420 LNFWUJALEIOYBG-OAHLLOKOSA-N 292.220 4.712 30 10 CJEE CCCCCCCC[C@H](O)c1ccsc1OC 1946710339 AJXSOETVQQZODY-ZDUSSCGKSA-N 256.411 4.541 30 10 CJEE C[C@@H]1CC[C@@H]([C@@H](C#N)c2ccc(F)cc2Cl)C1 1949502408 VBFXISANLKTLAX-GIPNMCIBSA-N 251.732 4.522 30 10 CJEE C=C1CCC(CNC2C[C@H]3CCCCC[C@@H]3C2)CC1 1965913486 OUPQCYFFFNDWHG-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE O=C(C=C1CCCC1)c1cc(Cl)cc(Cl)c1 1983530487 NICFOLRGQKYQNB-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(C)cc1Cl 2005333873 XTEJIBSZHYMIJQ-NHYWBVRUSA-N 251.801 4.511 30 10 CJEE CCCCCCCC[C@H](O)c1cnccc1Cl 2007067245 ULXGGKPAFAOYPE-AWEZNQCLSA-N 255.789 4.519 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ccc(SC)s2)CC1 2010779512 PILZHWKLMFDTSI-SNVBAGLBSA-N 266.431 4.789 30 10 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258.405 4.698 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC(F)(F)C1 2356179269 HAKNABQSKJVBOR-FVCCEPFGSA-N 289.316 4.777 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]2CC[C@H]1C2 2359318533 AASDTTNTEUJZAI-OWSLCNJRSA-N 278.484 4.561 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C(C)(C)C 2360096676 YGGRTOXPJFAIMU-BRWVUGGUSA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1NCC 2360343364 MXUAQRVEVNBUFQ-SPUZQDLCSA-N 293.520 4.797 30 10 CJEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cc1 21061299 NCHAOSLUSZVTSD-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1cccc(F)c1 48855712 HWGAAPJLXDGQFI-CQSZACIVSA-N 295.338 4.530 30 10 CJEE N#C[C@@H](C(=O)c1c(Cl)cccc1Cl)c1cccs1 52902741 AQJUHMZZGKHRRY-MRVPVSSYSA-N 296.178 4.545 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Sc1cccc(Br)c1 55307778 ZTVAWUCSQUDOMX-MFKMUULPSA-N 296.233 4.624 30 10 CJEE CC(=O)c1cccc(/N=C/c2ccc(C(C)C)cc2)c1 59518404 FTQIRAOHRRNDHB-XDHOZWIPSA-N 265.356 4.763 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87973392 YNMVPDBVHMXHKS-RISCZKNCSA-N 267.294 4.578 30 10 CJEE Cc1ccc(Cl)cc1Oc1ccc(C#N)c(Cl)c1 88729858 ARQJTDNEDVUYRZ-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CC(C)(C)[C@@H]1CCCN(CCCCCCS)CC1 94581626 XDIRMERSKXBVTF-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE Cc1cscc1-c1nc(-c2cccc(C#N)c2)cs1 94864876 FOYKHJWBZQRCPO-UHFFFAOYSA-N 282.393 4.719 30 10 CJEE CCCCCCC[C@H](NC)c1nc2c(s1)CCCC2 104441061 LVQVQNSTBSPUIK-AWEZNQCLSA-N 280.481 4.643 30 10 CJEE CCCCCCC[C@H](NC1CC1)c1nc(C)cs1 104446823 IVZIUUKULKDATA-AWEZNQCLSA-N 266.454 4.605 30 10 CJEE CCOc1ccc(C(C)(C)C)cc1[C@H](C)CCS 107600608 HOYVMOCOIBRHFG-GFCCVEGCSA-N 266.450 4.806 30 10 CJEE CCCCCCCCCCCCN(CCC)[C@H]1CCNC1 109688170 WXZXTJVJDPCRCH-IBGZPJMESA-N 296.543 4.981 30 10 CJEE N#C[C@@H]1CCC[C@@H]1NC1CCCCCCCCCCC1 109960440 BZTFIOIRLLSGSY-WMZOPIPTSA-N 276.468 4.942 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1O 110023307 AAVNEFCJRNUPPV-IXDOHACOSA-N 270.457 4.549 30 10 CJEE CCCCCCCO[C@H](CNC(C)C)c1cccc(F)c1 110067828 YANSZOVZIHCFRY-GOSISDBHSA-N 295.442 4.852 30 10 CJEE CCCCCCC[C@H](N)c1cccc(Br)c1 112889752 XCFMUJDIBIFSBQ-AWEZNQCLSA-N 284.241 4.809 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)CCO[C@H]1C 125313667 QPFNIYHPOVNAPM-ROUUACIJSA-N 283.500 4.922 30 10 CJEE Cc1cc(Cl)c(NCc2cccc(C#N)c2)cc1Cl 128036292 STVAUWPDTLLJPY-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCC[C@@H](CC1CCCCCC1)NN 130033242 UVUSWPXPCPVXOY-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 135319612 WWGZVBMVCCGYIJ-HUUCEWRRSA-N 288.522 4.933 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C 155996188 URQZBLCYZMJAMQ-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 156191178 KLWIUOGBPOADMF-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCOC[C@H](NCC)C1CCCCC1 157539651 GTLZCZMVBYRWFI-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE N#Cc1ccc(CNc2cc(Cl)ccc2Cl)s1 161087801 WDMZTBMLXJYXPN-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C#CCC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 165990059 DJHKTUSCMNGXES-RWSSSABPSA-N 287.491 4.765 30 10 CJEE Cc1cc(C#N)ccc1CSc1cc2ccccc2[nH]1 166004804 KSWUPNACNGAOIG-UHFFFAOYSA-N 278.380 4.640 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C#N)cc1F 168277646 BSVDRDFTZQQIFT-SUYBPPKGSA-N 274.383 4.570 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2ccc(Cl)cc2)C1 218231597 MQGRFAXZLNLCQW-XOKHGSTOSA-N 291.822 4.658 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCCC[C@@H]1N 226746085 DIHYAEGCZKFTOQ-IRXDYDNUSA-N 281.484 4.994 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c2cccnc12 227856767 PQXQMEBCTAFLMQ-IUODEOHRSA-N 299.805 4.773 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1F 227861831 VLWOLTNOWCHDGN-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCCCCCCCCN1CC[C@H](NCCC)[C@@H](CC)C1 229723616 HRAPCYDMEHRFEQ-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@@H](CCC(C)(C)OC)NC 231019369 AUDBWRLQHLHUNV-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)C[C@H](C)c2ccccc2)C1 252553629 RFKNCWQPAJRFCE-NBMJBFSESA-N 285.431 4.651 30 10 CJEE C[C@@H]1CC(=NNc2nc3ccccc3s2)CC(C)(C)C1 254816937 MZRXIHDILRWIMX-LLVKDONJSA-N 287.432 4.910 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@H]2CCO[C@H]2C)C1 300438554 DLZWSEPSWDRRIA-CQJMVSDSSA-N 295.492 4.642 30 10 CJEE CCCC[C@H](C)[C@H](CC#CC(C)(C)C)NCCC 306033643 QKXGMRBYWOOPAM-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CCOC[C@@H]1C 311561487 OKHAZLADAKHADJ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCC1(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)CC1 312294978 MOZLMVSBKZXYSZ-MRXNPFEDSA-N 269.388 4.567 30 10 CJEE C=CCCCN[C@H](c1ccccc1)c1ccccc1C 312612339 QIYQIMNXWWLUFU-LJQANCHMSA-N 265.400 4.640 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C=O)CCCc2ccccc21 316800342 RXSHCXGNWGFTFW-SZVBFZGTSA-N 270.416 4.676 30 10 CJEE N#Cc1cc(Cl)cc(OCC/C=C/c2ccccc2)c1 323703325 LFMWTYRWTNSRCL-XBXARRHUSA-N 283.758 4.694 30 10 CJEE CCCCCCCC[C@H](NN)C(C)(C)C(C)(C)C 380961201 SVXYSXHZWGSMLY-AWEZNQCLSA-N 256.478 4.641 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc(CC)cs2)C1 383114895 ZTWADAVSXKYKSA-BZPMIXESSA-N 294.489 4.906 30 10 CJEE C=CCC(C)(C)COCC1(CS)CCCCCC1 386117737 VLUHULVFDFCTTJ-UHFFFAOYSA-N 270.482 4.876 30 10 CJEE C[C@@H](CCC(C)(C)C)/N=C1/N[C@@]2(CCC[C@@H](C)C2)CS1 386356363 NNSLMUBCJHAYPC-JKIFEVAISA-N 296.524 4.843 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)C1CCCCCCC1 387628720 SSBWXQLUIWAVCZ-GOSISDBHSA-N 281.484 4.696 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccsc2Br)C1 389058998 CGVQHECFNBWFCG-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)C2CCCCCCC2)CC1 394313150 PNEVNPYPOYLVNJ-INIZCTEOSA-N 277.452 4.818 30 10 CJEE C[C@@H](Nc1cccc(Cl)c1)c1ccc(C#N)cc1F 512642242 NNNXEEFTIYIMLI-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C#CCCCCC[C@@H](NCCC)C(C)(C)C(F)(F)F 686697770 RFYKKKYANFJRIA-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE C#CCCCCCC1(CNC2CC2)CCCCCC1 686702744 OLWMIGGPOHYZMI-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1F 692207102 ZWWOGMKDRJNPCK-LRDDRELGSA-N 281.802 4.704 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1cccc(C(F)(F)F)c1 701917748 AANNGDZQVJLXGW-LBPRGKRZSA-N 285.353 4.958 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@H](CS)C1CC1 702032088 JMWHKRDBYODPPI-GXTWGEPZSA-N 264.434 4.535 30 10 CJEE C#C[C@@H](NC(c1cccs1)c1cccs1)C(C)(C)C 702295222 QTFKFLBQJIOWNT-CQSZACIVSA-N 289.469 4.537 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCC[C@@H](C)C1 703236285 AJXKOPBADPWYOJ-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 703773128 YAROXMPNBIBJMJ-MZMPZRCHSA-N 270.420 4.739 30 10 CJEE CCCCCCCNc1cccc(Cl)c1C#N 703777927 QFWPJYDRECVTMA-UHFFFAOYSA-N 250.773 4.594 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 710681848 OPFBEZWLAYAFTG-ZFWWWQNUSA-N 257.849 4.714 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cscc1Cl 711528453 NGELPAZRVORDAJ-ZDUSSCGKSA-N 257.830 4.799 30 10 CJEE CCC1CCC(/N=C2/NC3(CCCCCC3)CS2)CC1 713214405 LQRBJCJAVPSTPN-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CCCCCCCC[C@@H](O)CC[C@@H]1C[C@H]1C1CC1 715528662 AIZOIJRJPDWDMN-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE C=CC[C@@H](C)Cc1ccc(Br)cc1Cl 715815250 QWKWKPRUCVDHAM-SECBINFHSA-N 273.601 4.857 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)C[C@H](C)CO1 718447543 YWZWRHTYVHXVIJ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE Cc1cc(Oc2ccc(Cl)c(Cl)c2)c(C#N)cc1N 721047192 XZODBMFTDOAOFN-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1C[C@H](C)O[C@H](C)C1 724397456 PJWCRIPJMXDTRH-YVSFHVDLSA-N 270.457 4.692 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccc(C)cc2)NCC)CC1 724553975 QBZNEIVFLMENTH-IBGZPJMESA-N 271.448 4.652 30 10 CJEE C=C1CCC(C[C@H](C[C@@H](C)C(F)(F)F)NCC)CC1 724620519 ZQXWOTPELOHCEC-OCCSQVGLSA-N 277.374 4.690 30 10 CJEE C=C[C@H](CC(=O)OCc1cccc(CC)c1)c1ccccc1 1130384972 MRKDASURSTZRTM-GOSISDBHSA-N 294.394 4.652 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1oc2ccccc2c1C 1130905372 YFUAWWWDHWHHQF-ZBFHGGJFSA-N 297.398 4.606 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 1131602420 LEBTWVOFLJXQEU-DOTOQJQBSA-N 287.447 4.535 30 10 CJEE C=C(C)CN(CC)C(=O)[C@@H](C)SC(CCC)CCC 1188685348 WJWKOHBXZBRNEJ-CQSZACIVSA-N 285.497 4.502 30 10 CJEE C=CCCN(OCc1ccccc1)[C@H](C)c1ccccc1 1193563852 OPPBAEISXWCHDF-QGZVFWFLSA-N 281.399 4.758 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(OCCC)c(Cl)c1 1291789017 NBNSJSHDVYNTDV-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=C(C)[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 1307698041 LBCUGEZISLNQHI-ATZCPQFDSA-N 291.385 4.608 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc(Oc2ccccc2)cc1 1309977951 HXECGUHXQNKEHG-UHFFFAOYSA-N 296.370 4.567 30 10 CJEE C=CCC1(CNC(=O)N[C@H](CCC)C(C)(C)C)CCCC1 1312689482 XGZVORMYEFPWBC-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CCC[C@H](C(=O)O[C@H]1CCC[C@H](C)C1)c1ccccc1 1351263622 KRDXIERSTNSFEG-SZMVWBNQSA-N 286.415 4.858 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)c(C)c2)CCCC1 1352175264 OYYRQOUNHRONBJ-UHFFFAOYSA-N 278.779 4.690 30 10 CJEE C=CC1(CC(=O)N[C@H](CC)C2CCCCC2)CCCCC1 1357403089 YWCRKQYFXMMHFI-QGZVFWFLSA-N 291.479 4.988 30 10 CJEE C=CCC1(C(=O)N[C@H](CCC)CCc2ccccc2)CCC1 1435266657 GCRDXDNLVGDCPI-GOSISDBHSA-N 299.458 4.651 30 10 CJEE C#CCCCCCC(=O)N(CC)C[C@@H](CC)c1ccccc1 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CC[C@]1(C)CSC(=NC2CC3(CCC(C)(C)CC3)C2)N1 2156600692 WYUWHCAMAHCQHW-MRXNPFEDSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@]12CCOC2 2156714233 HLXAADSHRZMIFZ-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1C[C@H]1C(F)(F)F 2156853025 SSOCTRRASSSVCZ-MJBXVCDLSA-N 294.405 4.548 30 10 CJEE CC1(C)CCC[C@](C=O)(CCOCC2CCCC2)CC1 2157119596 ZFLYEYKCQHPZEU-GOSISDBHSA-N 280.452 4.759 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)C1(C)CCCCC1 2157565225 HNNQIPAAARGJNQ-WBVHZDCISA-N 276.468 4.655 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cccc(OCCC)c1 2158320790 OLLAMVYIUBBHEX-QAPCUYQASA-N 275.436 4.728 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](NC[C@H](C#N)C2CCC2)CC1 2159441939 HVQOJDZBZRUQMI-BBWFWOEESA-N 276.468 4.511 30 10 CJEE CCCCCCCCCNC[C@H](C(C)C)N(CC)CC 2160474326 KCYALRVWPTVODL-GOSISDBHSA-N 284.532 4.693 30 10 CJEE N#Cc1cccc2c1ccn2C[C@@H]1CCC=CCCC1 2163718890 QBHLDIVWYMQZRO-OAHLLOKOSA-N 264.372 4.649 30 10 CJEE C=CCOc1ccccc1[C@@H](CCC(C)(C)CC)NC 2164062146 WTILVVAMGKMNAZ-MRXNPFEDSA-N 275.436 4.728 30 10 CJEE C=C([C@H](NC)c1ccc(F)cc1C(F)(F)F)C(C)(C)C 2164141746 VTJWVEYUMHKEKP-ZDUSSCGKSA-N 289.316 4.707 30 10 CJEE N[C@@H](CC#CC1CCCCC1)[C@@H]1CCCCCC1(F)F 2164913044 IQQCHVPYOCAKLL-HOTGVXAUSA-N 283.406 4.503 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@@H]1CC2(CCCCC2)CO1 2166215704 AGZZQSUJCJHFFL-YJBOKZPZSA-N 275.436 4.836 30 10 CJEE CCCCCCCCCO[C@@H](CNC)C1CCCCC1 2167594715 DNGAJKWWZLFXJV-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@@]1(C[C@@](C)(C=O)c2ccccc2)CCCCC1(F)F 2167935920 YCSXXODMPZOHGU-HOTGVXAUSA-N 280.358 4.749 30 10 CJEE C=CC1(COc2cccc(Cl)c2CNCCC)CCC1 2168022395 FTYWGXVSOATVJD-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C[C@H](N=C1NC2(CCCC2)CS1)[C@H]1CCCC(C)(C)C1 2168617799 MXDALMHZNDUKDJ-KBPBESRZSA-N 294.508 4.597 30 10 CJEE C=C(COCCC)C[C@H](NCCC)c1ccc(Cl)cc1 2169749700 NMCKERDOOQFTTA-KRWDZBQOSA-N 295.854 4.754 30 10 CJEE SCC1(CN2CCC[C@H]2c2ccco2)CCCCCC1 2169962372 VINXHHCBPKXBFE-HNNXBMFYSA-N 293.476 4.687 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccc(C3CC3)cn2)CC1 2172842989 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C=CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H](C)C1 2207438218 QNURRHULPHUJMJ-SQNIBIBYSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H](C)[C@H]1CCCO1 2207440533 YIEMPYDJHGTBMF-FGTMMUONSA-N 281.484 4.826 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)c1ccc(C2CC2)s1 2207467719 GFWLZPCNAPRDQE-YOEHRIQHSA-N 295.492 4.737 30 10 CJEE N#CC1(CCCCCCC2CC2)CCSCC1 2213581004 RKWVTUGYXXVEPM-UHFFFAOYSA-N 251.439 4.774 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@@H]1C(F)(F)F 2217676531 RNZLRGZHGFARDX-NEPJUHHUSA-N 264.331 4.895 30 10 CJEE C=CCCCCCCCCOC[C@@H](N)C(C)(C)CC 2225675787 JIURDJCJMLZUDV-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCCOC1(CO)CCCCC1 2225681709 NDVGTVYHUWIIOI-UHFFFAOYSA-N 268.441 4.615 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2227269199 XAZMNWBPGALODG-YRDXOGEASA-N 262.437 4.556 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc(F)c1F 2227271387 KBKOCYYRYRIQRW-HNNXBMFYSA-N 268.347 4.915 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc21 2227274083 JEQKPSAJVNZREO-QZTJIDSGSA-N 257.421 4.570 30 10 CJEE CCCCCC#CC[C@@H](CC1(F)CCC1)NCCC 2227941024 FLBLYZRKPFCQHC-INIZCTEOSA-N 267.432 4.611 30 10 CJEE C=CCCCCCCCN[C@H]1CCC12CC(F)(F)C2 2230723922 RHVZYQSYSJTEOW-AWEZNQCLSA-N 271.395 4.681 30 10 CJEE CCCCCCC[C@@](C)(N)C#Cc1cccc(Cl)c1 2230997915 XJEISCZIHNFCHL-QGZVFWFLSA-N 277.839 4.769 30 10 CJEE CCCCCCCCCCOc1nc([C@@H](C)O)cs1 2231008460 JCLVPXTWLLSJSD-CYBMUJFWSA-N 285.453 4.716 30 10 CJEE C=C[C@H](CCCCC)OCCC[C@@H](NCC)C(C)C 2231019854 PPHDLYZBWILIGM-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cc(C)ccn1 2231924321 GXONDSBFLSQMMC-MRXNPFEDSA-N 262.441 4.619 30 10 CJEE CCC#C[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 2233782711 QAXMAPHUMONZDZ-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE C=CCCCCCCCCO[C@@]1(C(=O)O)CC[C@H]1CC 2234038398 XFRDDMVTGYXLSH-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2235519696 SKKHVBBQGUXQRG-JONQDZQNSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ncccc1CC 2235532238 IGLQQIOKFZWZEB-KRWDZBQOSA-N 274.452 4.821 30 10 CJEE C=CCCCCCCCCN1CCC[C@H]1COC(F)F 2236746807 RVHWZXJMFIKBEX-HNNXBMFYSA-N 289.410 4.607 30 10 CJEE CN(C[C@H](F)C1CCCCC1)c1ccc(Cl)cc1C#N 2238362250 LJVUHDYFZNDZKQ-HNNXBMFYSA-N 294.801 4.566 30 10 CJEE CCCCCCCCCN1CCC[C@H](OC(F)(F)F)C1 2239187594 GDSAALQFBCYVFD-AWEZNQCLSA-N 295.389 4.738 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(C)c(F)c1F 2239767907 YVITWSBTXUVXDL-HNNXBMFYSA-N 279.374 4.508 30 10 CJEE CCCCCCCC[C@H](C)NC1CCC2(CCO2)CC1 2240637954 OMBHWBLYXROFOY-AOCRQIFASA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@]1(O)CCC(C)(C)C1 2240665685 FZRKLLQZVIAKNP-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@]12CCC[C@H]1CC2 2242212741 YWUZDMFEEYQEJJ-OALUTQOASA-N 269.432 4.645 30 10 CJEE CSCC1(C[C@]2(C#N)CCC[C@@H](C)C2)CCC1 2251398621 ZXVUSZNIXDBMFA-HIFRSBDPSA-N 251.439 4.630 30 10 CJEE N#CC1(C[C@@H]2CCC23CCC3)CCC(F)(F)CC1 2254982299 XJXFYZRUHWFGAJ-LBPRGKRZSA-N 253.336 4.676 30 10 CJEE CC1(CSc2ccc(C#N)c3ccccc23)CC1 2255170561 ADLGTYHKGIQLQF-UHFFFAOYSA-N 253.370 4.604 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CC)C[C@@H](NCCC)C1 2258991792 YDDJTPXVRQCMEM-ARFHVFGLSA-N 269.498 4.633 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1ccsc1Cl 2262604097 PSTJICMKLLHJEE-CYBMUJFWSA-N 287.856 4.554 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccsn1 2263711177 IEBAOQRRBLVFHI-CQSZACIVSA-N 268.470 4.762 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CC[C@@H](C(F)(F)F)C1 2264989842 LPEBEOWXDRHHCT-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(F)cc1C 2269724306 AJOZEWSWVIWVAK-AWEZNQCLSA-N 263.400 4.777 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(F)(F)C(F)(F)F 2271785102 JUPITGOHLKUIMO-NSHDSACASA-N 287.316 4.689 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@]1(C)C(F)(F)F 2271792973 YTTYEURNDHDEQB-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(OC)c(Cl)c1 2271838285 DTNDHDVLSQOMIB-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE C=C1CCC(CN(C)C[C@@]23CCCC[C@@H]2CC3)CC1 2273396580 YDEUYKCMNUMHCQ-MSOLQXFVSA-N 261.453 4.635 30 10 CJEE C[Si](C)(C)C#CCNc1cccc(C2CCCC2)c1 2273542028 JAUVTVJNDRQOQW-UHFFFAOYSA-N 271.480 4.637 30 10 CJEE CC1(C)CCC[C@@H]([C@@H](N)C#CC2CCCCC2)CC1 2273981528 CKUBUUDYNAWUDL-SJORKVTESA-N 261.453 4.504 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C=O)CCCC23CC3)C1 2274149849 GBYRATRPSLTFSD-JMLCCBQJSA-N 262.437 4.988 30 10 CJEE CCC[C@](C)(CC#CC1CCCC1)CNC(C)(C)C 2274164129 GZXKHBXVVBEAEE-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CC(C)(C)c1cccc(C[C@@]2(C#N)CCCSC2)c1 2274511351 ZWPPQALLZPHKPV-QGZVFWFLSA-N 273.445 4.564 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1CC1(C)C 2277152872 NWNVSMNCTWRDLI-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC1(COC)CC1 2278169242 NYFLKOUXEQYJMT-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCCO1 2278242001 XYBKPJJASQNNBH-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)NCCOC1CCC1 2278242414 ALOXQKSEWIVUMC-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)C(C)(C)OC 2278248907 YOTNZVQHSHAZBY-CVEARBPZSA-N 271.489 4.919 30 10 CJEE CCCCCCCC(=O)c1cc(Cl)c(OC)cc1OC 2279149902 SNWXHYDVWGVXME-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncc2sccc2n1 2280360989 JTZGJXQWUXUKDX-CQSZACIVSA-N 291.464 4.702 30 10 CJEE Cc1ccc(Cl)c([C@@H](O)[C@@]2(C#N)CCCCC23CC3)c1 2283381618 QXOGTMOSXKBQSF-WBVHZDCISA-N 289.806 4.546 30 10 CJEE CC(C)(C)C#CC=CCN1CCCC2(CCCC2)CC1 2284129937 QLMOYRQSWNFSCW-UHFFFAOYSA-N 273.464 4.638 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H](CC(C)C)C(C)C 2284171265 TVAZJKUEEIDJDC-ROUUACIJSA-N 277.496 4.889 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1COC2(CCC2)C1)NC 2284818880 QQFGFQMIWVESDT-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CCC[C@@H](OC)C1 2287415534 VIGIBLNHOXNHPX-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCCOC1(C)C 2287466647 QXTNUJDNUVAOAJ-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=C(C)CCCCOc1ccc([C@H](CC)NCC)cc1 2287470671 SSYVBTGZZSSGBB-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CC1CC2(C1)CC(C[C@]1(C#N)CCc3ccccc31)C2 2287772443 ULAWFUZTGBHJIR-BCOZGUIHSA-N 265.400 4.611 30 10 CJEE CC(C)CCC[C@@H](C)CCNC[C@@H](C#N)C1CCCC1 2287858295 CGWMPXYQCJILOK-SJLPKXTDSA-N 278.484 4.758 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(C)CC[C@]1(C)N 2289922546 SMMBQZJVGCWLMZ-MSOLQXFVSA-N 279.468 4.770 30 10 CJEE CCCCCCC[C@](C)(CCC(F)(F)F)OCC(=O)O 2290851613 WFHWWXAEDIPQDS-CYBMUJFWSA-N 298.345 4.549 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)C(CC)(CC)CC 2291445379 LOXYXKYTNCKHKL-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@]1(OCC(=O)O)CC[C@H](C)C1 2291809777 MVLUEFXWITVPTG-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@H](OCCCN)C(C)(C)C1CCCCC1 2292910910 ASIQCGNWCQEPSQ-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)C1(OCCN)CC(C)(C)CC(C)(C)C1 2293364970 OGGYDEDSECFHCQ-UHFFFAOYSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1ncsc1C 2293413884 PGRIKQBMHDIMOB-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C1CC(C)C1 2293706951 XKNKWARBKAJJOM-DAWZGUTISA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CCC1(C)C)OCCN 2293890574 QBNMODYRJRHDNI-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1[C@@H]2CCCC[C@@H]12 2294129783 SHEFOSMYFXXAFC-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CCC1=CC[C@@H](Cc2c(C)c(C)c(C)c(C)c2C)C1=O 2294729966 SUBVXXBASONFKW-KRWDZBQOSA-N 270.416 4.697 30 10 CJEE CC1CCC(C#N)(c2ccc3ccc(Cl)cc3n2)CC1 2294976399 JEFUXKVGGUVPGX-UHFFFAOYSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CC[C@@]1(C)CC 2295537294 XVGHTBIEDRKGKT-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C=C1C[C@@H]1C[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2301195588 RKNBQTDQDKYTLY-ZWNOBZJWSA-N 270.203 4.529 30 10 CJEE CC(C)C[C@@H](CS)COc1ccc(Cl)cc1Cl 2308053644 NIDDEGXPNCYZKX-SNVBAGLBSA-N 293.259 4.964 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]21 2312623479 XMDCJHFHCYDAAX-LTIDMASMSA-N 251.458 4.904 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)C1CCCCCC1 2321131540 RXOACSFXNPQHEO-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CC[C@H]1C(C)(C)C 2321225923 ZUVUXPPYIALEJM-ANQUJSFKSA-N 252.442 4.802 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccccc1CSC 2321228450 MMEWWRIQHKJPAX-HZPDHXFCSA-N 264.434 4.575 30 10 CJEE C=CCC(C)(C)[C@H](O)Cc1cc(F)c(Cl)cc1Cl 2325250933 JQFBMEPQNSWFSI-CYBMUJFWSA-N 291.193 4.638 30 10 CJEE CCC(=NOCCCOc1ccc(C)cc1)c1ccccc1 2330245854 DMGGZSYCHFNLOE-UHFFFAOYSA-N 297.398 4.595 30 10 CJEE CC(=NOCCCc1ccccc1)c1ccc(F)c(C)c1 2330485082 APQHJMOQRFSLNE-UHFFFAOYSA-N 285.362 4.508 30 10 CJEE C=CCC(CC=C)SCC[C@H]1CCCC[C@@H]1NCC 2335203747 OFECPLCLBZNXTN-WBVHZDCISA-N 281.509 4.799 30 10 CJEE C=CC1(C[C@@H](C[C@H]2CCC2(F)F)NCCC)CCC1 2335275842 WWWVOFOIFNCEAV-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](c1ccccc1)C(C)C 2337114112 NJHFVGLMQPRTIH-BPQIPLTHSA-N 257.421 4.718 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cc(F)ccc2C(F)F)C1 2338028152 RVPZCYCSYRPMMU-BMIGLBTASA-N 267.294 4.636 30 10 CJEE CCCCCCCC[C@H](O)c1ccncc1C(C)C 2338618202 LLSPLTHGXBOFSH-KRWDZBQOSA-N 263.425 4.989 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338687688 BHXKHEDKFISWFA-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1ccc(Cl)c(F)c1F 2338697773 ADYAWXRNBJJBCS-HNNXBMFYSA-N 286.749 4.594 30 10 CJEE C=CCC(CC=C)N(C)[C@H](C)c1sc(CC)nc1C 2338730463 QRPOGUWTTRMQER-CYBMUJFWSA-N 278.465 4.528 30 10 CJEE C=CCC(CC=C)[C@H](OCCCN)c1sccc1Cl 2338855820 GHSRDHLYEHFCLJ-AWEZNQCLSA-N 299.867 4.576 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2339044379 IVDNONGIXAFSTE-FPSMNIFISA-N 262.437 4.988 30 10 CJEE CCCCCCCO[C@@H](C)CCCCNC1CCC1 2340368690 KGYPFGVYRXCRPT-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CC1(C)CC[C@@H](COC[C@@H](CS)c2ccccc2)C1 2341791536 ZOFIRIANAFTCPS-ZBFHGGJFSA-N 278.461 4.543 30 10 CJEE COCc1ccc(CC2(C#N)CCC(C)(C)CC2)s1 2342410045 UXJAHBOUUVLJNR-UHFFFAOYSA-N 277.433 4.547 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCCC2(CC2)C1)NC 2344341869 FQQINZMDJOEJRT-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344789305 LGYAIDUEERQJRS-STQMWFEESA-N 276.342 4.895 30 10 CJEE CCC[C@@H]1CCCN(CC2(CS)CC(C)(C)C2)CC1 2345011701 VKPMOBLJEASKLC-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE C=CC12CC(CCN1CC=C(C)CCCC(C)C)C2 2351693441 ISXMZHSDYZPSMP-UHFFFAOYSA-N 261.453 4.800 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C)C[C@H]1CCOC1 2353012801 LMJUVJLWWZXPBQ-BBWFWOEESA-N 270.457 4.551 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1c(F)cccc1F 2360207800 KOBKUHVWHXMDBJ-DOMZBBRYSA-N 299.430 4.703 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(CC)cc1 2360324471 PWMVSNKJMMNCCF-QAPCUYQASA-N 291.504 4.988 30 10 CJEE C=C(C[S@](=N)(=O)C[C@H]1CC[C@H](C)CC1)c1ccccc1 2360480430 ABBJFMFFMSBTNC-UVFQYZLESA-N 291.460 4.573 30 10 CJEE CC(C)(C)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 2535484 WZVZRDRAXQHAQZ-OUKQBFOZSA-N 294.394 4.894 30 10 CJEE CC(C)c1ccc(C(=O)[C@H](C#N)c2cccc(Cl)c2)cc1 36930608 HFSZMFCGNXNYBM-QGZVFWFLSA-N 297.785 4.953 30 10 CJEE Cc1ccc(S[C@@H]2C[C@H](C)CC[C@@H]2C#N)cc1C 37155465 IBYWCFRSNLCZOH-DJSGYFEHSA-N 259.418 4.724 30 10 CJEE CCCC(CCC)Nc1cccc(OCCCC#N)c1 37777424 JBGUFWGGOHTIOA-UHFFFAOYSA-N 274.408 4.750 30 10 CJEE N#C[C@H](CCOc1ccc(F)cc1)c1ccc(Cl)cc1 57685172 ZVNWFXXOFZCXNV-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCc1cccc(OCC[C@H](C#N)c2ccc(Cl)cc2)c1 57685185 GXSJAIBFNUSKRG-MRXNPFEDSA-N 299.801 4.979 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)O)cc1C 59469307 FYGIDCQRNBPVPT-CQSZACIVSA-N 277.408 4.854 30 10 CJEE C=CCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 71276967 KIDIAXRXVWJURF-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE Cc1cc(-c2cc(CC#N)c(C(C)(C)C)o2)ccc1F 77084958 HCADYMJKXGYXHJ-UHFFFAOYSA-N 271.335 4.758 30 10 CJEE COc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1Cl 77085396 XKJNNMLEQBNKJU-UHFFFAOYSA-N 289.762 4.778 30 10 CJEE CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)cc2Cl)CC1 79343856 RTBZQDHLJODZHK-CQSZACIVSA-N 290.838 4.864 30 10 CJEE CCOc1ccccc1-c1nc(C(C)C)c(CS)s1 82431074 NCYXNKVVPVYAPR-UHFFFAOYSA-N 293.457 4.762 30 10 CJEE CCC1(CC)CC(C#N)(c2cc(Cl)ccc2OC)C1 86521038 YXIULCCOJVFTRU-UHFFFAOYSA-N 277.795 4.710 30 10 CJEE SCC1(CSc2cc(Cl)ccc2Cl)CC1 87096258 JPDZRQKVOBPKHW-UHFFFAOYSA-N 279.257 4.796 30 10 CJEE CCC[C@@H](NCCCC(C)(C)C#N)c1cccs1 87597772 SPAQEXPMGHTKPI-CYBMUJFWSA-N 264.438 4.509 30 10 CJEE CC[C@@H](C)n1ccc(CC2(C#N)CCC(C)(C)CC2)n1 87940124 BWKBKFGYUSMDIK-CQSZACIVSA-N 273.424 4.507 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)([C@@]2(C#N)CCC[C@@H](C)C2)CC1 91903440 ZXUDUOBIQXVTHW-OWSLCNJRSA-N 277.452 4.674 30 10 CJEE CCOc1cc(Cl)c([C@@H](C)CCS)cc1OCC 107678009 FBIWJFVJEKOBIZ-JTQLQIEISA-N 288.840 4.561 30 10 CJEE CCCCCCCC[C@@H](Cc1csc(C)n1)NCC 108829058 BPEVRCQLKVBWSU-HNNXBMFYSA-N 282.497 4.723 30 10 CJEE CCCCCCCCOc1ccc(Br)cn1 109314753 RGTHPSGYKMOKGF-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C)c(F)c1 109713051 PTLAEQSSZDXDBU-MRXNPFEDSA-N 252.373 4.918 30 10 CJEE CCCCCCCCCCOC(=O)c1cccc(C)c1N 109895556 GKKWWZNIVHVVJO-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CCCCCCCCOCc1cc(CNCCC)c(C)o1 110171337 WOWCPKORQUFWDG-UHFFFAOYSA-N 295.467 4.965 30 10 CJEE N#Cc1cc(Nc2cc(Cl)c(Cl)cc2Cl)ccn1 110251906 ZQODYUZFICBXMR-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(OC)c1)NC 112893726 CLCJLMDDBPIMDR-QGZVFWFLSA-N 277.452 4.576 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCCOC1 114998193 VNHSFHMZQZVRPI-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)(C)C)NCC[C@@H]1C 115268239 AWEGZKIHSIUNPA-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(OC)c1OC 115652032 KZVYSFGNJCDFRC-INIZCTEOSA-N 294.435 4.878 30 10 CJEE CCCCCCC[C@H](C#N)Nc1cc(C)cc(F)c1 118130726 WIQLBXBJBZNYEM-OAHLLOKOSA-N 262.372 4.799 30 10 CJEE C=C(C)CN[C@H](c1cccs1)c1ccc(Cl)s1 122527305 NFAJLMPNIARITC-CYBMUJFWSA-N 283.849 4.718 30 10 CJEE CCCCCCCCCCCCNC[C@H](CC)CCO 123938436 JIVISLPBLPPDEV-GOSISDBHSA-N 285.516 4.906 30 10 CJEE CCCCCCCC[C@@]1(O)CCCc2occc21 124196949 INAVYWXEEUGAHL-MRXNPFEDSA-N 250.382 4.554 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CSCCS1 125158806 NBRJALKDTSIJIT-HUUCEWRRSA-N 289.554 4.693 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 129251755 MUCUTXSZYSUTIZ-KURKYZTESA-N 295.511 4.920 30 10 CJEE CCCCCCCC[C@H](CCc1ccccn1)NCC 140399727 YDOPWRSOCKBWKV-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CC)CC[C@@H]1CNCCC 156059574 YTVREXFRNMTOTI-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE C=CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)(C)C 156152235 CLHIOULQUXVOHG-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1ccc(Cl)cc1Cl 158809158 ZKISTFRDFPZXEB-HNNXBMFYSA-N 286.246 4.726 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCCCS1 161325886 DWNMXKHMGRBHSV-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC(=O)Cc1ccn(C(C)C)n1 166144355 IVBLBFUDJVZALT-UHFFFAOYSA-N 278.440 4.716 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1cccc(Cl)c1 211852219 VPHAFWPVCUTTAJ-HNNXBMFYSA-N 277.795 4.733 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1cccc2ccccc12 213031786 OYPZOJHNILLPTH-LJQANCHMSA-N 278.399 4.669 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2cc(C)ccc2O1 229409475 JFFDVBNNWHMLDY-FUHWJXTLSA-N 276.420 4.930 30 10 CJEE CC(C)(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 231791039 GDOJFJLTOPVYSP-UHFFFAOYSA-N 297.210 4.918 30 10 CJEE C=CCSCCN[C@@H]1CCCC[C@H]1C1CCCCC1 231930572 HLUUXXVXAMUYHM-DLBZAZTESA-N 281.509 4.634 30 10 CJEE CCCCCCC[C@H](O)c1cccc2ccncc12 232043182 HLCROUYYMIHSOQ-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCCNc1cccc(C)c1[N+](=O)[O-] 232944824 GVGUUICMMIFWHI-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE C#CCCC[C@H](NCCC)c1scc(C)c1Cl 233123246 YPVHAJSLGDHSND-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Br)c(C)c1 235746908 STBFOIXIRYBLIM-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc2ncsc2c1 236054171 XMEKKNWPNCWNLV-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CC#CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC 252823982 CRBDTPRBHVBQMT-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CSc1ccccc1N=Cc1ccc(Cl)cc1 254291794 NNROVEASEJPKDS-UHFFFAOYSA-N 261.777 4.813 30 10 CJEE COc1cc(C2(C#N)CCCCC2)ccc1C(C)C 260834200 KNMHJRNPLPZZOY-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE C=C(C(=O)CCCCCCCCC)C(F)(F)F 310277945 KCMFTFAJPSARCU-UHFFFAOYSA-N 250.304 4.815 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CCC[C@H](CC#N)O2)s1 311067261 UHVXQJDHNBGJHI-NEPJUHHUSA-N 263.406 4.569 30 10 CJEE Cc1nc(S[C@H]2CCC[C@@H](C)C2)c(Cl)cc1C#N 311067296 CKGJQCATOHTWJN-SKDRFNHKSA-N 280.824 4.586 30 10 CJEE CCCC1CCC([C@H](CC#CC(C)(C)C)NC)CC1 311350275 VKWCMBBRJXRDJQ-JCYILVPMSA-N 263.469 4.621 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1/C=C\C(=O)O 312191827 SKWPDGOVJFYLAM-KHPPLWFESA-N 294.778 4.563 30 10 CJEE C=C([C@@H](NCCC)c1coc2ccccc12)C(F)(F)F 312908091 ZJMCDSFOPCUMHH-CQSZACIVSA-N 283.293 4.592 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316834863 CXJOFAPIBLWNLP-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2CCCCC2(F)F)C1 317001769 RACBTRYAVXUTRT-MCIONIFRSA-N 258.352 4.597 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 317785471 DEYLXEXIKWPLQP-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CC[C@@](CC#CC(C)(C)C)(CNC(C)C)C1 318025923 GYNOCJMKHQCSGC-FUHWJXTLSA-N 263.469 4.621 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1c(C)noc1C 352562837 NOWZDWNIOFAVOB-UHFFFAOYSA-N 284.403 4.755 30 10 CJEE C=CCCCCC[C@@H](NC)c1csc(Cl)c1 379052047 KIYCKPKITSHAEX-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2cc(C)nc3ccccc23)C1 380597447 MSAYOJQNEBYONL-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CCCCCCC[C@]1(F)CCC[C@@H]1[C@@H]1CCCCN1 385929748 BGZAIPVLQQKFRI-IKGGRYGDSA-N 269.448 4.997 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)C2(C)CCCCCC2)C1 394679797 XNNBGPSNFIOBOX-JFIYKMOQSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](C)CC(F)(F)F 402915397 GLECDRBUDCGPCC-VXGBXAGGSA-N 253.352 4.523 30 10 CJEE C[C@@](C#N)(CC/C=C\c1ccccc1)c1ccccc1 405755858 MPQHQGMCDKDLNE-ICEKFOEVSA-N 261.368 4.961 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 451326468 DHRPXOFIGFRBAM-BQFCYCMXSA-N 297.442 4.913 30 10 CJEE C=C(C)CCN(C)[C@@H](C)c1sc(C(C)C)nc1C 508967044 KOXZSQYTQLIPQV-ZDUSSCGKSA-N 266.454 4.534 30 10 CJEE C=CCC[C@@H](C)Nc1cc(OC)c(C(C)C)c(OC)c1 543623423 CESYAGDIUNLEOP-CYBMUJFWSA-N 277.408 4.594 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccccc1CC 686691473 LCWVGEFYDQNKFE-LJQANCHMSA-N 271.448 4.873 30 10 CJEE C#CCCCCCC[C@@H](CNC(C)C)c1ccccc1 686692828 LLQSKLYAGXHAQZ-IBGZPJMESA-N 271.448 4.742 30 10 CJEE CC1(C)CCC[C@H](/N=C2/NC3(CCCC3)CCS2)CC1 687320732 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293.442 4.513 30 10 CJEE CCCCCCCCO[C@H](CC)[C@@H](C)NCCC 720101305 NOSNWBDFDCDCGU-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CC[C@H]1C[C@H]1CC1(C=O)CCC(C(C)(C)C)CC1 723108170 WCYQLJVLFGZCFY-JPQBHMHHSA-N 250.426 4.844 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2coc(C)c2)CC1 724605961 PHAXNIVVURXPMO-QGZVFWFLSA-N 261.409 4.765 30 10 CJEE C=CCCO/N=C(/c1ccc(C(C)C)cc1)C1CC1 821230087 YNMWKWSWUDXHHB-ZCXUNETKSA-N 257.377 4.517 30 10 CJEE CCCCCCCCCCN1CC[C@@H]1CNC(C)(C)C 829217961 GOLGRMHKLFFSOI-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE C=CC(C)(C)CC(=O)NCc1ccc(C2CCCCC2)cc1 1129181006 RDWZEMQMSFLBDJ-UHFFFAOYSA-N 299.458 4.953 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc2occc2c1 1179142348 FQLDPRKXOWNBFJ-DOTOQJQBSA-N 269.388 4.657 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(CN(C)C)cc1F 1182333931 NRJFSTLONMQTOY-HNNXBMFYSA-N 292.442 4.824 30 10 CJEE CCC[C@H](Cc1ccccc1)N(CCC)CC1(CC#N)CC1 1190790947 HAOHBNWSCVSUHU-LJQANCHMSA-N 298.474 4.804 30 10 CJEE C=C(C)CCN(CC1CC1)c1cccc(C(F)(F)F)c1 1194854739 OAJUIXAYVKWZOA-UHFFFAOYSA-N 283.337 4.888 30 10 CJEE C=C(C)[C@@H](NCCCC(F)(F)F)c1ccc(F)c(F)c1 1262353718 JCFMMFSITKHGFK-CYBMUJFWSA-N 293.279 4.514 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C)c(C)o1 1274720309 BFIBXQBJSAVTLB-UHFFFAOYSA-N 277.408 4.543 30 10 CJEE C=CCC1(NC(=O)CC/C=C/c2ccccc2)CCCCC1 1297943716 VVHMTMZCBNHIDT-NTUHNPAUSA-N 297.442 4.875 30 10 CJEE C=CCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 1299086396 AKLKRUFOYUZSFE-LJQANCHMSA-N 297.442 4.877 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)CCCCCCCC)C1 1300477495 KISCCIHUVHEWBW-MRXNPFEDSA-N 265.441 4.552 30 10 CJEE C#CCCCCCCN1CC[C@H](c2ccccc2)[C@H](C)C1 1307502002 VKDGVETYHGIEIU-QUCCMNQESA-N 283.459 4.696 30 10 CJEE C=CCCCCC[C@H](C)NCc1cc(Cl)ccc1O 1308844944 CQUIVBHIIUAIGR-ZDUSSCGKSA-N 281.827 4.660 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)ccc1OCCC 1355948808 IKCCVUDLHFJGRR-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1435993370 ZKBWSQJFAFKHNS-LJQANCHMSA-N 297.442 4.682 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)CC1 1457022122 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CC[C@@H]1CC[C@@](C#N)(CCCCC2CCOCC2)C1 388915424 OBUVJTJABODCQU-WBVHZDCISA-N 263.425 4.693 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccccc1OCc1ccccc1 390781272 SKUQDRRRWWPNNH-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE N#C[C@@H](CSc1ccc(F)cc1F)C1CCCCC1 397133140 UBSWNMRPRRWTGV-LBPRGKRZSA-N 281.371 4.777 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)ccc1Cl 398071690 AFSVDUTYRWXLRR-LLVKDONJSA-N 272.219 4.828 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cccc(Cl)c1 398098008 GJAWGEMOSBURAV-CHWSQXEVSA-N 251.801 4.735 30 10 CJEE C=CCCC[C@@H](C)NCc1c(Cl)cccc1Cl 398121042 RBFTWWWGXOGEEE-LLVKDONJSA-N 272.219 4.828 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(CC)s1 398122528 RRXBEPYMAPEQEU-QWHCGFSZSA-N 251.439 4.706 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H](CC)CC(F)(F)F 402547267 DVJKUKKSCAYIHG-ZIAGYGMSSA-N 279.390 4.793 30 10 CJEE C=CCCC[C@]1(O)CCCC[C@H]1C1CCCCC1 404339197 RKMVIQMQSVKQFF-IRXDYDNUSA-N 250.426 4.844 30 10 CJEE C[C@@](C=O)(Cc1ccc(Cl)cc1Cl)c1ccccc1 405589831 KPPZPXRRXFHDIR-INIZCTEOSA-N 293.193 4.693 30 10 CJEE C#C[C@H](Nc1cccc(SCC)c1)c1ccccc1 690107836 JVYNLBDJSYOIDR-KRWDZBQOSA-N 267.397 4.585 30 10 CJEE CCCCCCCC[C@@H](NN)C(CC)(CC)C(F)(F)F 690215766 NJEXKOXQZQEEOO-CYBMUJFWSA-N 296.421 4.938 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(F)c1F 692235213 QDBVZFHMLHSCFE-IOASZLSFSA-N 279.374 4.750 30 10 CJEE N#Cc1cc(Cl)ccc1NCCCC1CCCCC1 694033470 IBCKDGAYADIPCA-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 695153092 MCRKZGLKBKGEIC-JTQLQIEISA-N 284.325 4.814 30 10 CJEE C[C@H]1CC(CNc2ccc(Cl)cc2C#N)C[C@H](C)C1 695262651 ASNNOJYMEBATHA-VXGBXAGGSA-N 276.811 4.696 30 10 CJEE CCCCCCCCC[C@H](O)CCCCCCCN 697410526 ZJSICHIQUJAJEO-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE CCCCCCCNC1CC(c2ccc(OC)cc2)C1 703718852 ZCGNSGNWDOQKDZ-UHFFFAOYSA-N 275.436 4.501 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C[C@@H]1CCCO1 704878279 LWYIOMBAEUDGGE-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CC(C)C1CCC(C=O)(CC[C@@H]2C[C@@H]2C2CC2)CC1 714966191 ZUNJBIKVQQYTIY-FZBQFSLMSA-N 262.437 4.844 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1cccc(OCc2ccccc2)c1 715037178 QKMVNHISILOEQA-HNAYVOBHSA-N 282.383 4.511 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/CCCC2CCCCC2)N1 716945513 APHVWLLRKCWMKK-DZGCQCFKSA-N 282.497 4.597 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCC[C@H]1C 719587382 ZVPMDCJVVNUHIU-YQVWRLOYSA-N 288.431 4.625 30 10 CJEE C=C1CCC(C[C@]2(CNCCC)C[C@H]3CC[C@H]2C3)CC1 724554058 RLUVGBKLIJJLGE-GBESFXJTSA-N 275.480 4.929 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Cl)ccc2OC)CC1 724559131 GYPUQQXVTCULLD-OAHLLOKOSA-N 280.795 4.519 30 10 CJEE C=C1CCC(CC(=O)c2ccc(Cl)cc2F)CC1 724578817 GTHWILXLCHNFHN-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)CC1 1124867990 ADAIHHYGPXHIGF-MRXNPFEDSA-N 285.431 4.569 30 10 CJEE C=CCCC(=O)OCc1ccc(Cl)c2ccccc12 1130190470 ZWLLQYHHMREFMA-UHFFFAOYSA-N 274.747 4.503 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCC[C@H]1CCC)c1ccccc1 1131134973 SSCUYVWFCQVTLH-OIISXLGYSA-N 272.388 4.673 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 1140088616 FHFWKHSYUAPZCV-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C)c([N+](=O)[O-])cc1F 1163716066 ZFNCDECBTFVPHN-OCCSQVGLSA-N 292.354 4.589 30 10 CJEE C=CC[C@H]1N(C[C@H](CC)CC(F)F)CCCC1(C)C 1169843260 AUWIVACKTSTWEG-ZIAGYGMSSA-N 273.411 4.735 30 10 CJEE C=CCCCCCCNC[C@H](C)c1ccc(C)cc1 1181622220 RQHNMFGWCJHNAM-KRWDZBQOSA-N 259.437 4.825 30 10 CJEE C=CC[C@H]1CCCN(Cc2c(Cl)cccc2CC)C1 1182796754 YSJXEQSLJLWFLJ-AWEZNQCLSA-N 277.839 4.691 30 10 CJEE C=CC1CCN(Cc2c(CC)ccc3ccccc23)CC1 1191014025 VXTUSYXGCSKHRU-UHFFFAOYSA-N 279.427 4.800 30 10 CJEE C#CCOc1ccc(CNC2CCC(CCCC)CC2)cc1 1199667900 SCLZGCAJEQVFAR-UHFFFAOYSA-N 299.458 4.537 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]1c1ccccc1 1205639439 CPLYTOBEOCATGG-SFTDATJTSA-N 291.438 4.868 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H](CC)c1ccccc1 1206262681 BERPPMSXEWQMHB-TZIWHRDSSA-N 293.454 4.957 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1C[C@@H]1Cc1ccccc1 1207806860 YYSVOYWIRGFHIH-WDSOQIARSA-N 271.448 4.590 30 10 CJEE C=CCC1(C(=O)NCc2cc3ccccc3o2)CCCCC1 1353938646 MEQBSDURHVQCNL-UHFFFAOYSA-N 297.398 4.576 30 10 CJEE C=C(CC)CN(Cc1ccccc1)c1ccc(OC)cc1 1459743806 FEXANOLOLIQARZ-UHFFFAOYSA-N 281.399 4.668 30 10 CJEE C#Cc1ccc(CN2CCC[C@H]2c2cc(C)ccc2C)cc1 1461913042 MWUHICFGNDUYBW-NRFANRHFSA-N 289.422 4.622 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@@H]1CCCc2ccccc21 1522832773 KAMOFIRZEBUMIS-SFHVURJKSA-N 299.458 4.701 30 10 CJEE C=CCCCCNC(=O)/C=C(\CC)c1cccc(Cl)c1 1524208797 VFXNDDDTJQBULP-BUHFOSPRSA-N 291.822 4.606 30 10 CJEE C=CCCCCCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 1525487148 GRCQCKKAOBYVLI-SFHVURJKSA-N 277.452 4.766 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(C)cc2ccccc12 1543743347 LUXORMVSVFCUMW-GOSISDBHSA-N 267.372 4.689 30 10 CJEE C=CCCC(C)(C)CNC/C=C\c1ccc(F)cc1F 1560554196 MJMJLQZFAQTNEL-SREVYHEPSA-N 279.374 4.560 30 10 CJEE C=CCCCCN[C@H](C)CCc1cncc2ccccc12 1560772870 JOGPAOCUNRUUSF-MRXNPFEDSA-N 282.431 4.502 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)c1cccc(C(F)(F)F)c1 1598441320 RCCMKSRREJRMAL-GFCCVEGCSA-N 299.336 4.661 30 10 CJEE C[C@H](CCNc1snc(Cl)c1C#N)CC(C)(C)C 1612258193 FKCJOOPNXIEWQH-SECBINFHSA-N 285.844 4.542 30 10 CJEE Fc1c(Cl)cccc1C#Cc1ccc(Cl)cc1 1614826199 XQRKYSLAYXJCDB-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CC[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1 1620214862 NRILMHWKUJTONG-CQSZACIVSA-N 295.879 4.720 30 10 CJEE C=CCCCCCCN[C@@H](C)Cc1cccc(C)c1 1621322483 CVRURQGQCMSEAV-KRWDZBQOSA-N 259.437 4.652 30 10 CJEE C=C(CC)C(=O)Nc1ccc(OCC2CCCCC2)cc1 1627129900 SDLUBSWGDLUTMN-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(Cl)c(CCC)c1 1627340972 GPXZXFXGXPPAIT-UHFFFAOYSA-N 293.838 4.721 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccccc2)o1 1647741271 LJCZWZOGZMXRLO-QAPCUYQASA-N 296.414 4.566 30 10 CJEE C#CCN(CCC1CCCC1)[C@@H]1CCCc2ccccc21 1654895708 XDYQEKOCGVZQHO-HXUWFJFHSA-N 281.443 4.580 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C)cc2OC(C)C)C1 1656722353 DOZDCANAWCNSDN-SJLPKXTDSA-N 287.447 4.617 30 10 CJEE C=CC[C@H]1N(Cc2ccc(C)cc2F)CCCC1(C)C 1657931496 MJGHFFDDHQTTIR-QGZVFWFLSA-N 275.411 4.701 30 10 CJEE C#C[C@H](NC[C@H]1CCCC[C@H]1CC)c1ccc(Cl)cc1 1664897030 VAPKAXIRYZPZDW-KYJSFNMBSA-N 289.850 4.820 30 10 CJEE CN(C[C@H](CS)C(C)(C)C)CC1(C(C)(C)C)CCC1 1876727754 DNUFZJXUAJJHPW-CQSZACIVSA-N 285.541 4.727 30 10 CJEE CC(C)(C#N)CCCCN[C@@]1(C)CCCC(C)(C)C1 1877830120 OBTJLUBAKMGWBF-KRWDZBQOSA-N 264.457 4.655 30 10 CJEE CC#CCCC[C@@H](NCCC)C1(C)C(C)(C)C1(C)C 1879644981 SHFGNZLFVGUJSS-OAHLLOKOSA-N 263.469 4.621 30 10 CJEE CC#CCCC[C@@H](NCCC)C1(C)CCCCCC1 1879651566 UKXSGFUSXAWJLX-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE CC#CCCCC[C@H]1CCCCC[C@H]1CNC1CC1 1885237075 NKRRDANYUTWHQU-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CC#CCCCCC(=O)c1ccccc1C1CCC1 1885340967 JWYIKCKSHPXTEW-UHFFFAOYSA-N 254.373 4.721 30 10 CJEE C#CC[C@@H](CC1(N)CCC(CC)(CC)CC1)C1CC1 1887398446 UOMSWJQRZYRHAY-INIZCTEOSA-N 261.453 4.504 30 10 CJEE CCCN(c1cccc(Cl)c1C#N)C1CCCCC1 1888723892 VIMWXAGHFKMCBX-UHFFFAOYSA-N 276.811 4.761 30 10 CJEE CC(C)=C(C)C(=O)c1ccccc1OCc1ccccc1 1889376529 RNHLARDHUHKGID-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE C#C[C@H](N[C@@H](CC)C1CCC(C)(C)CC1)C(C)(C)C 1892873952 ZRPHXBRDUURLMS-HOTGVXAUSA-N 263.469 4.619 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@H](C2CCCCC2)CS1 1912004136 XARXSSADOABGEU-CVEARBPZSA-N 296.524 4.987 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@@H](C)CC(F)(F)F 1919418453 AXUNTXXLKBOZAK-TZMCWYRMSA-N 296.373 4.646 30 10 CJEE CCCCCCC[C@@](C)(N)CC1(COC)CCCC1 1919514198 JLTQUKOHMPDEQN-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE C=CC[C@H]1CCCN1c1ccc([C@H](C)NCC)c(Cl)c1 1925154832 JJFVILPOJDIHMD-KBPBESRZSA-N 292.854 4.555 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H](C)CC(C)C 1933238414 XJCYPRSTJSCYAM-YOEHRIQHSA-N 296.455 4.598 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@H](C)S1 1946340948 RBRWNRJWMLHWOY-KKUMJFAQSA-N 258.471 4.772 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(Cl)sc2C)CC1 1949039690 DZWNDUQBFNRXPR-ZDUSSCGKSA-N 269.841 4.846 30 10 CJEE C=C(C(C)(C)C)[C@](C)(N)c1ccc(Cl)c(Cl)c1 1949150696 SJSBRACOISEAPX-AWEZNQCLSA-N 272.219 4.770 30 10 CJEE N#C[C@]1(C/C=C/Br)CCCCC12CCC2 1962007880 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O[C@H](C#CC1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2289773267 UDABIJRMZYAVNT-FCGDIQPGSA-N 274.448 4.538 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2289777107 NJRPLKSZKQAIFY-INDMIFKZSA-N 274.448 4.538 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H](C)C1CCCC1 2289874241 KYNPUWCWNRRJJM-VQIMIIECSA-N 275.480 4.765 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1cccc(C(C)(C)C)c1 2290286847 WAKKUNUNQOWEJY-LJQANCHMSA-N 273.464 4.719 30 10 CJEE CCCCCCCCC[C@@H](OCCC(=O)O)C1(C)CC1 2290581012 PSNGEBGTYIIFOE-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1cc(C)c(C)s1 2290905637 JMZQJKNDMZQFLV-AWEZNQCLSA-N 298.448 4.868 30 10 CJEE CCCCCCC[C@@](CC)(OCCC(=O)O)C(F)(F)F 2291774606 FFGMKRZYSOPAGV-CYBMUJFWSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H](F)C1)OCCCN 2293033166 MZCJAZIZTZRLNK-YESZJQIVSA-N 287.463 4.609 30 10 CJEE C=CCCCC[C@](C)(OCCCN)[C@H]1CCC[C@@H](C)C1 2293290811 BFFOJHFMMDNIHN-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC(C)(C)C[C@H]1C 2293407858 MBMKZHCVFLWWCC-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@H]1[C@H]2CCC[C@H]21 2293539759 OFUOASGYNIPPNQ-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@H]1CC)OCCCN 2293599124 LHRCZPOSVWLSIW-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCN)C1CC(C)C1 2293853877 CJVPYILQWXTCNG-DAWZGUTISA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1cscc1C 2293854000 DIDBCXHMCPGINR-KRWDZBQOSA-N 295.492 4.990 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)C(C)(C)C(C)C)CC1 2294108687 SJLALWVVHVWJTC-QGZVFWFLSA-N 281.484 4.539 30 10 CJEE CCSC1=NC(=Cc2cccc3ccccc23)C(=O)S1 2295499484 VGMPQAUYEMMNRY-UHFFFAOYSA-N 299.420 4.563 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccn(C(C)C)n1 2295590599 WDBNRBRBIKUZNH-KRWDZBQOSA-N 279.472 4.779 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1ccsc1C 2295675561 COGJBWKXKSYFTN-DLBZAZTESA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@](C)(O)C1 2295681701 JDADSJYYXXISAS-BZSNNMDCSA-N 283.500 4.799 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ccccn1 2295686555 KILIFTREBUZORL-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC12CC(OC)C2 2295691016 HRRWOJCHLQVADE-PBHCIXSXSA-N 281.484 4.673 30 10 CJEE CC#CCCCC[C@@](N)(c1ccccc1)C1CCCC1 2295717206 NTCSWRFSLPIAHB-LJQANCHMSA-N 269.432 4.615 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSc1cccc(F)c1 2307228996 CKXRNHHOMGTBMH-AWEZNQCLSA-N 272.454 4.900 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1C(F)(F)F 2310524190 KIUXJOZKUACKJA-JHJVBQTASA-N 266.347 4.686 30 10 CJEE C=CC[C@H](C)S[C@@H](c1ccccc1Cl)[C@@H](N)CC 2313525705 ZOVVTFQLRQPMFU-CQDKDKBSSA-N 283.868 4.816 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)c(C)c1 2321106265 XJRONYVSSVPDAU-ZBEGNZNMSA-N 265.828 4.820 30 10 CJEE C=CC[C@H](C)[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2321229327 UPNYQLHEFOGWIA-JZAWBGDQSA-N 250.426 4.556 30 10 CJEE CCC1CCC(OCC2(CS)CC(C)(C)C2)CC1 2321710903 QRSXVJBUOKFYAT-UHFFFAOYSA-N 270.482 4.708 30 10 CJEE Cc1ccc(NN=Cc2c(F)cccc2Cl)cc1C 2322922482 AODZJMHIVUJTQV-UHFFFAOYSA-N 276.742 4.542 30 10 CJEE C=CCC[C@H](C)[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NCCC 2331590789 DBLXCBZJBPKATM-IGQOVBAYSA-N 277.374 4.545 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC(C)(C)C1CCCCC1 2337107543 UOIAORUEQVQMMD-WBVHZDCISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(SC)cc1 2337110909 GKJGDFVWYOFBAP-UNEWFSDZSA-N 275.461 4.804 30 10 CJEE N#Cc1c(Cl)cccc1NC(CC1CC1)CC1CC1 2337153696 BBGLCCOBGQJFQJ-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)C)CCC(F)(F)C1 2338740290 DJIFEKJWNCKRGU-OAHLLOKOSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@@H](F)C1 2338746340 FLQNHERVVYYYDY-ZACQAIPSSA-N 267.432 4.651 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1c(F)cccc1Cl 2339906083 UQZOZISLRVREMA-LLVKDONJSA-N 273.738 4.634 30 10 CJEE N#Cc1ccc(OCCCC2=CCCCC2)cc1Cl 2340983881 WTUFLQVZCCLMBG-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE C=CC[C@@](C)(O)C[C@@H](c1ccccc1)C1CCCC1 2342471024 QGXSZTOHQGMHON-ZWKOTPCHSA-N 258.405 4.678 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2343425563 SYNFVQDDJAGPSZ-RULNRJAQSA-N 296.197 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCCCC1(F)F)NC 2344347645 CWBHLJRKHYKAKX-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc2c(c1)CCCC2 2344356692 NWBJOQBXHDLAOQ-MSOLQXFVSA-N 257.421 4.558 30 10 CJEE C=CCC(C)(C)[C@H](NCC)C1=CC[C@H](C(C)C)CC1 2344376338 GEOKPRXQPQWBGF-DOTOQJQBSA-N 263.469 4.949 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@H]1CC12CCC(F)(F)CC2 2344378363 VAHMMXSZKHGYLS-QWHCGFSZSA-N 271.395 4.522 30 10 CJEE C=CC[C@@H](C)[C@@H](N)CCC12CC3CC(CC(C3)C1)C2 2344384326 LISWBNMYBWMTEM-JRHYKELJSA-N 261.453 4.523 30 10 CJEE C=CC[C@H](C)S[C@@](C)(C(=O)O)[C@H]1CCCC(C)(C)C1 2352033795 HNMHRMMWKSQTFW-HEHGZKQESA-N 284.465 4.744 30 10 CJEE Cc1ccc(C)c(OC[C@@](C)(CS)C(C)(C)C)c1C 2352089563 KBZZOBGFDFYAJR-KRWDZBQOSA-N 280.477 4.973 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H]2CC(C)C)ccc1C#N 2353827961 NKOSQLDOAIXQIG-SWLSCSKDSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@](C)(N[C@@H](C)CCC(C)C)C(=O)O 2353862982 LTMYKELOXFAJIQ-RDJZCZTQSA-N 285.472 4.605 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@H]2CC[C@@H]1O2 2360179283 AZRXGOHEIKFYFO-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(F)c1CN[C@@H](C)CC 2360366812 SXTHIMAFQYXOKQ-RYUDHWBXSA-N 299.430 4.910 30 10 CJEE C=CCC[C@H](C)N(C)c1ccc(C)c(Cl)c1CNCC 2360537035 BICAWBQXRDRMQT-AWEZNQCLSA-N 294.870 4.549 30 10 CJEE CC(C)/C=C1\CC/C(=C\c2ccc(Cl)cc2)C1=O 4826695 AALFNOPXDNVJAN-UTLPMFLDSA-N 260.764 4.669 30 10 CJEE Cc1cc2nc(CCC3CCCCC3)n(CC#N)c2cc1C 31943506 ARCHRCAWWABDSO-UHFFFAOYSA-N 295.430 4.690 30 10 CJEE O=C1/C(=C\c2ccc(Cl)cc2)CC[C@H]1C1CCCC1 33383904 ZQIKDWRXSACIAJ-QBOMHBFWSA-N 274.791 4.893 30 10 CJEE CCCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 36333095 QNUJEJJQJXZDCU-GVDBMIGSSA-N 273.445 4.996 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 37306375 OMOBQWANYQVJCA-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cccc(Cl)c1Cl 37935206 HFZSMWXPNRHTLW-CYBMUJFWSA-N 277.154 4.670 30 10 CJEE C[C@@H]1CCC[C@H](S[C@@H](CC#N)c2ccccc2)C1 55023033 OZEZAGHVNKCMAA-KBMXLJTQSA-N 259.418 4.953 30 10 CJEE CCCCCCCOc1cccc(F)c1[C@H](C)NCC 59184425 VSZDIIOSDJQIRM-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCO[C@@](C)(CC)C1 70357453 DHUOHKRGHAORKL-YOEHRIQHSA-N 291.460 4.724 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 79974277 VNGIYPLOTJXVJZ-LBPRGKRZSA-N 296.336 4.958 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](n2cc(Cl)c(C)n2)C1 80011102 BFAISNVMRLCVKD-KCQAQPDRSA-N 293.842 4.762 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87930330 JTCZMNQTIXGLMZ-DOMZBBRYSA-N 297.320 4.848 30 10 CJEE CC1CCC(C#N)(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 87930648 BZGOFGWVBTXQNO-UHFFFAOYSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCC[C@H]1CO 91375595 GMYIDIVGBAVMNX-MOPGFXCFSA-N 297.527 4.906 30 10 CJEE N#CC1([C@]2(O)CCCC[C@H]2C2CCCCC2)CCCCC1 91876078 HBOFLOLWPYGZMQ-HKUYNNGSSA-N 289.463 4.962 30 10 CJEE SCC1(CN2CCC[C@H]3CCCC[C@@H]32)CCCCCC1 94579228 MRVDSLALKXAELV-SJORKVTESA-N 295.536 4.911 30 10 CJEE CC(C)(C)[C@H](CS)CSc1cc2ccccc2[nH]1 94631070 XHIWEKDXIOLXRJ-GFCCVEGCSA-N 279.474 4.852 30 10 CJEE CCCCCCCCN(C)c1sc2ccccc2[n+]1C 103009760 NGLDJIGYURKVJU-UHFFFAOYSA-N 291.484 4.523 30 10 CJEE CCCCCCCCCOCCNCc1ccccc1 105532761 LNZWJPZTBIBQCI-UHFFFAOYSA-N 277.452 4.543 30 10 CJEE C=C[C@H](C)Cc1c(C)c(Cl)cc(C)c1OCC 107650447 JGWTYDOUXVMZSU-JTQLQIEISA-N 252.785 4.720 30 10 CJEE CCCCCCCCOCc1cc2ccccc2nc1N 110100136 SDNUODOYXPHKHK-UHFFFAOYSA-N 286.419 4.694 30 10 CJEE CCCCCCC[C@@H](N)Cc1c(F)cccc1Cl 110446672 AKMZTBPOEUUEBP-GFCCVEGCSA-N 271.807 4.709 30 10 CJEE C=C(C)CN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 110456112 VQOILLUMAWTQBT-HNNXBMFYSA-N 283.337 4.809 30 10 CJEE CCCCCCCCCN(C)C1(CN)CCCCCC1 110520386 UJQVBWQLSZDKJL-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCOc1ccc(N)c(OCCC)c1 111057545 WROQNDZIQQUDHV-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1ccc(F)cc1Cl)C(C)(C)C 111650665 JCCOZSBNHPQGMT-GXFFZTMASA-N 295.785 4.728 30 10 CJEE CCCCCCCCCc1nc(-c2ccc(N)cc2)no1 115858912 RLUIQZOCSOCXQZ-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE CCCCCCC[C@H](O)CSc1ccccc1F 117372997 RNQJNAFQYSAXGE-ZDUSSCGKSA-N 270.413 4.639 30 10 CJEE CCCCCCCCCCn1cccc1C[C@H](N)CC 117597710 DRONBESTHJXLLE-QGZVFWFLSA-N 278.484 4.909 30 10 CJEE Cc1ccoc1C(=O)/C=C/c1cnc(C2CCCC2)s1 119018593 HHYJOZIVNLEMGH-VOTSOKGWSA-N 287.384 4.598 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCN(C)C 134773931 SAESINKQOQXTNQ-KRWDZBQOSA-N 271.489 4.610 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@@H](C)OC 135556569 KIWPGWJMSMOTLS-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCCCN[C@H](C)c1ccccc1[N+](=O)[O-] 159148142 IHVFSJFAQXFWOE-CQSZACIVSA-N 278.396 4.606 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCCOC1 203411015 WOIWPNOUJWVRCN-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCN1CC/C(=N\O)c2ccccc21 217219897 MITIZDGXSFQLSO-HTXNQAPBSA-N 288.435 4.826 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCC(C)(C)CC2)C1 228405024 MWJOXRUDTHJBOM-INMHGKMJSA-N 276.468 4.605 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(Br)cc1C 229752921 HDZZCCCCKCKYBH-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 229756619 OGFLNMDESBSHKS-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCC[C@H](CCC(C)(C)OC)NCC 231017838 QLFLGFXSXAYYHJ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C#CCCC[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232389815 OUVBNZKOMQSOGF-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C(C)C)CCNC1 232918172 MFHHVMDUONBJCX-GOSISDBHSA-N 281.484 4.722 30 10 CJEE C=CCCCCC[C@H](NCC)C1CCC(F)(F)CC1 233534709 GVZLSXSYQVXNNJ-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE Cc1cc(C(=O)C2=CCCCC2)cc(C)c1Br 235836541 KNPOSACROYUEDH-UHFFFAOYSA-N 293.204 4.749 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC23CCCCC3)c(Cl)c1 236031360 HTSLDUNJTICYSL-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCCC[C@H]2C)C1 251153033 NEZWTSZWFGVRRN-HSFUPAIVSA-N 276.468 4.605 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 253309610 SVKLSKAUKZIINN-OWCLPIDISA-N 251.458 4.641 30 10 CJEE Cc1ccc(S[C@@H]2CCCCCCC2=NO)cc1 254593894 VUKJJKWKXOXRDX-OAHLLOKOSA-N 263.406 4.640 30 10 CJEE CSc1ccc([C@H](CC#N)C2CC2)cc1SC 260333854 RNQJYFQGSBIQDA-GFCCVEGCSA-N 263.431 4.538 30 10 CJEE C[C@@H]1CC[C@H](OCCCCC(C)(C)C#N)C[C@H]1C 300116749 UOIKPTUOCAQCLE-KFWWJZLASA-N 251.414 4.548 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC[C@H](C)CC)C1 300439568 ISYNGFZHMDJOLZ-KBUPBQIOSA-N 253.455 4.874 30 10 CJEE CCCCCCCCCNCCOC(C)(C)CC 308692047 KGPRGTWRQNKLFT-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCNCCCOCc1ccccc1 309875269 VGGXDNRVWSLGQF-UHFFFAOYSA-N 277.452 4.543 30 10 CJEE C=C(c1ccc([C@@H](C)NCC)c(Cl)c1)C(F)(F)F 311199245 JQALATXRLWHLAG-SECBINFHSA-N 277.717 4.586 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C[C@H](C)CC(C)(C)C 311348827 UKTBPPQMYNUHEV-HOTGVXAUSA-N 265.485 4.867 30 10 CJEE CC1CCC(C#N)(c2ccccc2C(F)(F)F)CC1 311535542 XARCIOCXGFXROR-UHFFFAOYSA-N 267.294 4.677 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@H](C)c2ccccc21 313354089 NQFONPFSTHQYIO-UGSOOPFHSA-N 262.356 4.527 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCSc2ccccc2)C1 316695646 HYSKXEJPMJKUBH-HOCLYGCPSA-N 262.418 4.564 30 10 CJEE CC1(C)CCC(C=O)(Cc2cccc(Cl)c2)CC1 317388200 YCQIALYPEMLCCD-UHFFFAOYSA-N 264.796 4.668 30 10 CJEE Cc1ccccc1CC1(C=O)CCC(C(C)C)CC1 317424113 GGGIMIYXHZITAB-UHFFFAOYSA-N 258.405 4.569 30 10 CJEE CCCCCCCCC[C@H](CN1CCCC1)NCCC 328502871 VWGIGQXKOZFJMF-GOSISDBHSA-N 282.516 4.591 30 10 CJEE N#CC1([C@@H]2CCOC3(CCCC3)C2)CCCCCCC1 381833087 FKLMFZSONJKEHH-MRXNPFEDSA-N 275.436 4.980 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCCC[C@H]1C 384494734 AFBNRDJITPQTQG-IXDOHACOSA-N 263.469 4.621 30 10 CJEE CCCC1CCC(C#N)(Cc2csc(Cl)n2)CC1 385141647 WVZAPTUSFGJFHL-UHFFFAOYSA-N 282.840 4.839 30 10 CJEE CSCc1ccccc1C(=O)C=C1CCCCC1 392926800 CGRMGJBJCPLPGE-UHFFFAOYSA-N 260.402 4.623 30 10 CJEE Cc1cccc(SCCCB2OC(C)(C)C(C)(C)O2)c1 393974820 UWJWHSUYKHGPNM-UHFFFAOYSA-N 292.253 4.569 30 10 CJEE CCCCCCCCCCCCn1cc(F)ccc1=O 395800852 ZQYWXSUZXPAVLG-UHFFFAOYSA-N 281.415 4.908 30 10 CJEE N#C[C@@H](CSc1ccc(F)c(F)c1)C1CCCCC1 397128519 OSUYWFDIMSGYHX-LBPRGKRZSA-N 281.371 4.777 30 10 CJEE C=CCCCC[C@H](C)NC1CCC(C(F)F)CC1 442828286 RCBMYKOODCLOBS-HSBZDZAISA-N 259.384 4.535 30 10 CJEE C=CCCCNC(=O)Nc1c(CCC)cccc1C(C)C 448076592 HSWJDNRMJPQCBT-UHFFFAOYSA-N 288.435 4.850 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H](CC)c1ccccc1 606977512 RZFYBEOBCKWOHE-QGZVFWFLSA-N 288.435 4.526 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1c(Cl)oc2ccccc12 649902769 FNBXGUXIIJQNOS-LLVKDONJSA-N 291.778 4.561 30 10 CJEE C#CCCCCC[C@H](NC)[C@@]1(C)CC[C@H](C)C1(C)C 686709660 XFAUFTBKOXUFFB-XYJFISCASA-N 263.469 4.621 30 10 CJEE CCC(CC)[C@H](C)/N=C1/NC2(CCCCC2)CCS1 687320577 KALWMOSLQKTGID-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE CC[C@H](C)c1ccc(Oc2ncc(C#N)cc2C)cc1 690366889 VDXBMMYEVKERIZ-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE CCc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 691245240 VPDBSYCERQQMSR-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE Cc1ccc(N[C@H](C)CC(C)(C)C#N)cc1C(F)(F)F 695842292 LHFADVVTDWMPOW-LLVKDONJSA-N 284.325 4.754 30 10 CJEE CCCC(CS)(CCC)CN1[C@H]2CC[C@H]1CC1(CC1)C2 699684700 SUCSQRNVNCSVHE-HOTGVXAUSA-N 295.536 4.910 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCOC1(C)C 703436357 IMPMSIWOCLDUDV-GOSISDBHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H]1CCCN1C 703934521 ODKBIQUEGIAUSW-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(F)cc1F 703995885 LSADDHQCUDTWQX-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)Sc1ccc(F)cc1 704930496 DUDWXRNYRKJILS-UGFHNGPFSA-N 263.381 4.636 30 10 CJEE C#C[C@H](N[C@@H]1CCCC[C@H]1C1CCCCC1)C(C)(C)C 705220094 VZACGDSCOSGKJZ-KSZLIROESA-N 275.480 4.763 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(N)cc1C 709353364 GHDHLWYTADICLI-IUODEOHRSA-N 278.827 4.777 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 710644343 JGNKLZBQRUKMHW-NWANDNLSSA-N 271.876 4.960 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1CCCCC1(C)C 710663698 LTMOYVYXCZNKPW-ZIAGYGMSSA-N 257.849 4.714 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)[C@H]1CCCCO1 711852764 UQOVPVKAWIUIIT-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCCC[C@H]1C 720414120 HFUWJTWWMBRXAZ-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H](OC)C1)NCC 722017640 IHJPVQHVHQQNIQ-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 723627929 ZYGJFTSCMWLTCS-YQQAZPJKSA-N 268.404 4.638 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](c1cccnc1)C1CC1 793545831 CWNKYJJZZNAFCP-QAPCUYQASA-N 272.436 4.647 30 10 CJEE C=CCCC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccccc1 883227108 LKZKGQRRQXHYLR-SZMVWBNQSA-N 295.430 4.576 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)CC1 1124867989 ADAIHHYGPXHIGF-INIZCTEOSA-N 285.431 4.569 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1126294775 OQHKJBKLFODIFO-KCITZHQASA-N 299.458 4.677 30 10 CJEE C=C(C)CCC(=O)NCC1(c2ccc(C)cc2C)CCCC1 1129439930 LOFAOOISDZGEEN-UHFFFAOYSA-N 299.458 4.588 30 10 CJEE C=CCCCCCN1CC[C@@](C)(c2cccc(F)c2)C1 1171772478 NWNBRXOOTNTSLK-GOSISDBHSA-N 275.411 4.536 30 10 CJEE C=CCn1c(SC[C@@H]2CC[C@H]3C[C@H]3C2)nc2ccccc21 1188053977 WBZASUHGWWWSMT-QLFBSQMISA-N 298.455 4.751 30 10 CJEE C=C(C)CCN1CCC(c2c[nH]c3c(CC)cccc23)CC1 1190465942 PCOBPOGALHGOFG-UHFFFAOYSA-N 296.458 4.876 30 10 CJEE C=C(C)CCN(CCc1ccc(F)cc1)C1CCCC1 1192223384 FHXWUFMLKSBPGJ-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE C=CCCc1ccccc1NCc1ccc2[nH]ccc2c1 1202125713 AYSPMCRTXNIQGO-UHFFFAOYSA-N 276.383 4.899 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(-c2ccccc2)cn1 1205472137 VVBCXVMAFMLQOH-MRXNPFEDSA-N 280.415 4.756 30 10 CJEE C=CCC[C@@H](C(=O)Nc1ccc(F)c(C)c1)c1ccccc1 1264945883 XYOAABPTXZLXPN-QGZVFWFLSA-N 297.373 4.823 30 10 CJEE C=C(C)CCC(=O)NCc1ccc(-c2cccc(C)c2)cc1 1353982473 OZMJIJPBGFMMGF-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=CCCC[C@H](C(=O)N(C)c1ccsc1)c1ccccc1 1437294290 WYYVKSDGKZPKTF-KRWDZBQOSA-N 299.439 4.851 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@H](CC)c1cccc(OCC)c1 1457290199 KEYFIGKKESZEDA-SJLPKXTDSA-N 290.403 4.682 30 10 CJEE C=CCCCCS[C@H](C)c1cccc(OC)c1 1458997993 LMPMWDFSLAMKEM-CYBMUJFWSA-N 250.407 4.846 30 10 CJEE C=CCCc1ccccc1NC[C@@H]1CC[C@H]2C[C@H]2C1 1462152610 XEGXKEUIORFOCH-HYVNUMGLSA-N 255.405 4.653 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCc1cc(C)cc(C)c1 1462426359 MVJKCTOLGFOBKI-MOPGFXCFSA-N 271.448 4.570 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(SC)c1 1476826703 DBUVWUWMNMDDEW-ZDUSSCGKSA-N 292.448 4.583 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1519881734 WAPCGOIXHILPML-ROUUACIJSA-N 299.458 4.631 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H](C)CC2CCCC2)C(C)C)c1 1520607075 YEXSDTOOAYIIGR-MRXNPFEDSA-N 297.442 4.626 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 1523894085 BSGALUHTCUFJNO-DLBZAZTESA-N 283.415 4.570 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 1524063840 UBGSWVKWSCIIDK-MRXNPFEDSA-N 293.838 4.756 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)CCCC(C)(C)C 1528291415 UUFGSFRHGHCETP-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C=CC(C)(C)CCNC(=O)c1cccc(C2CCCC2)c1 1588066634 TWNPBVDAYADSOH-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C#C[C@H]1CC[C@H](NC2CCC(C3CCCCC3)CC2)CC1 1621054496 LPLSONZYPSRWLJ-CSDCYZPHSA-N 287.491 4.907 30 10 CJEE C=CC[C@@H](C)N1CCC(Sc2ccc(Cl)cc2)CC1 1642319784 PDIGRLJZJHJWJB-CYBMUJFWSA-N 295.879 4.861 30 10 CJEE C=CC(C)(C)CCNc1c(C#N)cnc2c(Cl)cccc12 1652073124 BBAOKHLGKXYAJH-UHFFFAOYSA-N 299.805 4.774 30 10 CJEE C=CCCCCCN[C@H](C)c1cccc(C2CC2)c1 1654563381 GBUGWKJNHUWQKX-OAHLLOKOSA-N 257.421 4.961 30 10 CJEE C=CC[C@@H](CC)NC/C=C/c1cc(C)c(C)cc1C 1656163703 XIZOBBFQQDEISR-XSFOEPMVSA-N 257.421 4.569 30 10 CJEE C=C(C)c1cccc(NCc2cc(Cl)ccc2OC)c1 1657094299 PGLRKTRBKIQVNO-UHFFFAOYSA-N 287.790 4.994 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)nc3c2CCCC3)c1 1658115374 KNOKMKARNJTGNY-UHFFFAOYSA-N 292.426 4.914 30 10 CJEE C#CCCCCCCNc1ccc(C2CCC2)cc1 1659009280 JUAXDSIHJQNBOR-UHFFFAOYSA-N 255.405 4.950 30 10 CJEE C=CCC[C@@H](CCC)NCc1oc2ccccc2c1OC 1664364065 QCSAJCKHNHMWIT-CQSZACIVSA-N 287.403 4.666 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)Cc1cccc(C)c1 1664987455 MBOHFZGBVJKFRQ-GHTZIAJQSA-N 293.454 4.703 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CCC)[C@@H]1CC1(C)C 1665595365 NHRANAQZPURGQA-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(-c3ocnc3C)cc2)C1 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4.561 30 10 CJEE C=CCCCCCCCCNCCCc1ccccn1 2207438910 UYZJUMRAASGPOB-UHFFFAOYSA-N 274.452 4.521 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@@H](N)C1CCCC1 2207441369 HVPCZHGYWWKUTK-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCC1CCC1)NCC 2207444008 FZPBMGTZAOCLSX-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)[C@H]1CCC[C@H](CC)C1 2207459879 XKSXCRREFMIOLP-XLAORIBOSA-N 283.500 4.642 30 10 CJEE OCCCCCC#Cc1cc(Cl)cc(Cl)c1Cl 2214629046 MJZFIONKLOFNHD-UHFFFAOYSA-N 291.605 4.551 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC[C@@H]1SC 2217304788 GIHHQRRLPGBEHK-KKUMJFAQSA-N 257.487 4.609 30 10 CJEE C=CCCCCCCCC(=O)C1(C(F)(F)F)CC1 2220082996 FTWXSHJCWAAMCY-UHFFFAOYSA-N 262.315 4.815 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CCCC12CC2 2220083609 PRKOLNZUICUYDK-HOTGVXAUSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1C[C@H]1C(C)(C)C 2220091349 FPFAMTIEICTSNS-XHSDSOJGSA-N 251.458 4.913 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(C#N)c(Cl)c1 2223230448 VEDDBVQFEFOVQU-ZDUSSCGKSA-N 263.768 4.725 30 10 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30 10 CJEE C=CCCCCCCC[C@H](NC)c1nccc(C)c1C 2235540069 SRSMUWPCTQQVJH-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCNCC1(C)CC2(CC(F)(F)C2)C1 2238795263 TYRZUSVTCVUTKM-UHFFFAOYSA-N 285.422 4.928 30 10 CJEE N#Cc1ccc(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 2238872420 DLHPWUMQSXWFFL-IKGGRYGDSA-N 268.404 4.577 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(O)C#Cc2ccc(Cl)cc2)C1 2239458537 LYVKCXOFEYNMSY-QAPCUYQASA-N 290.834 4.659 30 10 CJEE CCCCCCCCCOCC1(F)CCC(CN)CC1 2239470034 YPRMFOYRHDMMQY-UHFFFAOYSA-N 287.463 4.611 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNCC(C)C)C(C)(C)C 2239492213 IHCIXJPUWUJNAA-IRXDYDNUSA-N 283.500 4.798 30 10 CJEE CCCCCCCCCCO[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C 2239506705 CNYZYYGWMMOKKG-XWTMOSNGSA-N 284.484 4.939 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC(C)C)C(C)C 2240562995 QFXCQYAQUOKYRJ-GOSISDBHSA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@](C)(OCCCC1CC1)C(=O)O 2240617854 KTOHPFMTLZNISY-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CC=C(C)C)NCC 2240665392 CCLGEFZRSXCGFD-MSOLQXFVSA-N 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287.781 4.871 30 10 CJEE Cc1ccc([C@H](C)N(C)CC2(CS)CC(C)(C)C2)s1 2345005402 YAIJZZKIESNGFH-ZDUSSCGKSA-N 297.533 4.786 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2352740906 AKNHOAQIMQTAEP-MBNYWOFBSA-N 276.342 4.751 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NCC2(CC#N)CC2)c1Cl 2353016556 QOJIPNJDXRKXAE-LLVKDONJSA-N 297.229 4.646 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccnc(C(C)C)c1 2353591273 LLYKNSYVCDNJLR-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CC(C)C[C@@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2353829281 YHWYHYVZMRZBAA-PNBKFKSVSA-N 284.509 4.810 30 10 CJEE CCCCCCC[C@](C)(Sc1ccc(O)cc1)C(=O)O 2353863045 MRIXYOQFLUKXBL-INIZCTEOSA-N 296.432 4.688 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC 2358720687 IYBLZKVQPFMOBC-BSDSXHPESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@]12CCCC[C@@H]1CC2 2359790462 PPVXSIQMPNYBPD-KZNAEPCWSA-N 278.484 4.705 30 10 CJEE O=C1/C(=C/c2ccc(F)c(F)c2)CC[C@H]1C1CCCC1 3895471 GZBRLWSLLKQDIT-SSUFTNFISA-N 276.326 4.518 30 10 CJEE 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CCCCCCCC[C@@H](CCCc1cccs1)NN 122412047 HIWBKWWFLXJTPX-HNNXBMFYSA-N 282.497 4.653 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccccc1C(C)(C)C 125723700 KECRXJPZYZOTPU-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCC(=O)c1cccc2c1OCCC2 127173748 WOEVAUKDHCZCIR-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1OC(C)C 129509368 KWSSNCPHRCGCGO-INIZCTEOSA-N 264.409 4.868 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1/C=C(Cl)C=CC1=O 135837694 FFLSBXPHGCCPJB-FOWTUZBSSA-N 295.769 4.787 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCO[C@@H]1C 148285459 QFDIPGYFXPBREA-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC1(CNCCC)C[C@@H]2C[C@H]2C1 157455461 DGKPTRRXQVNKSA-HOTGVXAUSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCCCO1)NCC 158022881 WGRMJZFFGHBWJQ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(C)c(C)c1)NCCC 164572449 WWMCKQYPTYLERA-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)cc1 165765421 IQAPWLWUZQEOGM-HNNXBMFYSA-N 268.832 4.595 30 10 CJEE CCCCCCCOc1cc(C)c(Br)cn1 166350728 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CJEE C=CCCCCC[C@H](NC)c1sccc1Cl 234446042 SMXHOYOWSMNPGF-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE O=C(C[C@H]1CCCc2ccccc21)C1=CCCCC1 236403122 DAHNGHHOVKTIOO-MRXNPFEDSA-N 254.373 4.566 30 10 CJEE CC[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(Cl)c(Cl)c1 251107199 SOJOSGWGLNZWEJ-TUKIKUTGSA-N 297.229 4.726 30 10 CJEE COc1ccc2ccccc2c1C=Nc1cccc(C)c1 254842409 HTWPHCVBNIWIOM-UHFFFAOYSA-N 275.351 4.907 30 10 CJEE N#CC[C@H]1CCC[C@H](c2cc(Cl)ccc2Cl)O1 310273844 NYYMWKUVBYLHGD-ZWNOBZJWSA-N 270.159 4.517 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2Cc3ccccc32)C1 311396409 SOYMRZAIVLJAJI-KYJSFNMBSA-N 253.389 4.827 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cccc(Cl)c2Cl)C1 316822755 PJMLGGCHAHZEBU-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccc(Cl)c(Cl)c1 317357588 ZLUBFTJADBDALD-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE CCCC(CS)(CCC)CSCCCSC 320066168 AVSRXZDESFAITB-UHFFFAOYSA-N 280.568 4.989 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cc(Cl)ccc1Cl 385097207 ZAZWAWIVTCODND-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE 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4.563 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 715705195 MNTDIMAZMAKORJ-XQLPTFJDSA-N 291.401 4.936 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(C(C)C)n1 715706140 QFRMNMFCZGNHRJ-JSGCOSHPSA-N 266.454 4.519 30 10 CJEE C=CC[C@H](C)[C@@H]1CC(C)(C)CC[C@@H]1CNCCC 715788284 PHNARYDPGHLKOY-XHSDSOJGSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CC[C@@H]2C[C@@H]12 717172198 MFOADRUIIIMLPL-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc3ccccc3o2)CC1 724550355 PXMDBHMCXXALKN-INIZCTEOSA-N 269.388 4.830 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CCCc3sccc32)CC1 724608792 ZDCNKBHQOSBNPZ-WBVHZDCISA-N 289.488 4.893 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2C[C@@H]2C(C)(C)C)CC1 724611475 XCULKXVMTYIHFL-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE CC/C(=N\OCc1cccc(F)c1)c1ccc(C)c(C)c1 821217837 JMHCVEFLGXMBRT-CZIZESTLSA-N 285.362 4.773 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)Cc2ccccc2)CCCC1 1131111352 HIHHZVZMHNQAJN-QGZVFWFLSA-N 299.458 4.508 30 10 CJEE C=CCCC[C@H](C)Nc1nc2cccc(F)c2s1 1162917303 WQCBVRSDYYZRHQ-JTQLQIEISA-N 264.369 4.592 30 10 CJEE C=CCC1(NCc2cc(C)cc(C)c2)CCCCC1 1175371184 CLADJQMVLHEWQY-UHFFFAOYSA-N 257.421 4.672 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](c2ccccc2F)C(C)C)C1 1182796267 SVDDZMULNURCRW-IIDMSEBBSA-N 275.411 4.857 30 10 CJEE C=CCCCCCCCCCN1CCC2(CCO2)CC1 1207899288 TZJWNQAHYJZULT-UHFFFAOYSA-N 279.468 4.548 30 10 CJEE CC(F)(F)c1ccc(Nc2cc(F)cc(C#N)c2)cc1 1212676461 YHPCYQOYOVSVJT-UHFFFAOYSA-N 276.261 4.553 30 10 CJEE C=CC1(CC(=O)NC2CCC(C(C)C)CC2)CCCCC1 1265945577 BAPRMKOJOBVTAB-UHFFFAOYSA-N 291.479 4.844 30 10 CJEE CC#CCCCC(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 1272321019 UDXWFSPCEOWGMS-SFHVURJKSA-N 299.458 4.734 30 10 CJEE C=CCC[C@@H](C(=O)NCC1(C)CCCCC1)c1ccccc1 1274687279 KHUSHYDPJWWYPX-GOSISDBHSA-N 299.458 4.823 30 10 CJEE CCCCCCCN(C)[C@H]1CCCc2nc(CC)sc21 1307542706 FJPGMRXLSAWDFI-HNNXBMFYSA-N 294.508 4.985 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(Cl)cc1OC 1308710529 NVYGGBTXTYHTBD-LBPRGKRZSA-N 267.800 4.895 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC12CCC(CC1)C2 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4.827 30 10 CJEE C=CCCCCCCCC[C@H](N)c1c(C)nn(C)c1Cl 2207437035 MSMYOOPEBMFGLM-AWEZNQCLSA-N 297.874 4.689 30 10 CJEE C=CCCCCCCCCCOC[C@@H](CN)C1CCC1 2207438677 UINYOSHIYPYICZ-GOSISDBHSA-N 281.484 4.685 30 10 CJEE C=CCCCCCCCCn1c(C)nc2c1CCCC2 2207440948 WZZDZVROYFTCHC-UHFFFAOYSA-N 274.452 4.987 30 10 CJEE C[C@@H]1CC[C@@H]([C@H](C#N)c2ccc(F)c(Cl)c2)C1 2213205803 SOZHLVQIJZWBFL-FOGDFJRCSA-N 251.732 4.522 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)c(Cl)cc1F 2219250211 STYYXBVXJMPAET-OAHLLOKOSA-N 269.791 4.794 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CCC(F)(F)C1 2220082005 JLGRZSAQTOMKTR-KBPBESRZSA-N 259.384 4.666 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(CC)OCC 2220092317 KCAOPLPVXYUMCP-MRXNPFEDSA-N 254.414 4.677 30 10 CJEE C=C(Cl)C[C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2220764278 ZGUUULZSXZKQBM-NSHDSACASA-N 298.135 4.762 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225320734 CFHJVMBMFQBRBX-MHORFTMASA-N 263.469 4.927 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225357092 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CCCCCCCC[C@H](C)N[C@H]1[C@@H]2[C@H]1CCC2(F)F 2231938839 CGCUTSISNCNLBB-LJISPDSOSA-N 273.411 4.759 30 10 CJEE CCCCCCCC[C@H](O)c1ccnc2nc(C)sc12 2232704865 DGFNDLIDIDNDDY-AWEZNQCLSA-N 292.448 4.784 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NN 2233593606 KIEMMSNSYDCVAA-XMTFNYHQSA-N 280.500 4.785 30 10 CJEE CC1(C)CC[C@]1(C=O)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233704354 WWVQUIFCYUPOKP-HGTKMLMNSA-N 284.390 4.843 30 10 CJEE CN(CCCCCC1CC1)c1cc(Cl)c(C#N)cc1F 2234079390 DREOPJHMWPXMHR-UHFFFAOYSA-N 294.801 4.757 30 10 CJEE C=CCCCCCCCNCCCOc1ccccc1 2235522489 UZJFGDCJGAFPQN-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=CCCCCCCCC(=O)C1([C@@H]2CCCCO2)CC1 2235534038 XBIBSNYDPPLWGD-KRWDZBQOSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ncoc1C1CC1 2235536906 ZJUKEMCDAMBJKB-HNNXBMFYSA-N 276.424 4.729 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](O)(CC)c1cccs1 2235541054 DFZFCNQOFNNXAO-WBVHZDCISA-N 295.492 4.590 30 10 CJEE C=CCCCCCCCC(=O)C1(N)CCC(C)(C)CC1 2235541536 JESXXNUCAAMARX-UHFFFAOYSA-N 279.468 4.770 30 10 CJEE CC(C)c1cc(C2(C#N)CCC(C(C)C)CC2)ccn1 2236388397 DDJGXAIWEPGIKB-UHFFFAOYSA-N 270.420 4.813 30 10 CJEE Cc1sc([C@H](O)C(=O)C2=CCCCCCC2)c(C)c1C 2236825271 FVCWZRVSLNTYBC-MRXNPFEDSA-N 292.444 4.556 30 10 CJEE CC1=CC[C@@](C)(CN(C)c2ccc(C#N)cc2Cl)CC1 2237298559 YFARKMSTTKXQJZ-QGZVFWFLSA-N 288.822 4.784 30 10 CJEE C=CCCCCCCCCOCC[C@H]1CNCC1(C)C 2238480469 OMUVNTYGINPNPN-KRWDZBQOSA-N 281.484 4.555 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H]1CC[C@H](CNCCC)C1 2239487203 NSYUBCLVZAOBDN-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCO[C@H](CN)c1ccccc1F 2239487566 RKMGMSIRTBZRPB-QGZVFWFLSA-N 281.415 4.593 30 10 CJEE CCCCCCCCCCCOc1nc(C)c(CN)s1 2239494082 ZOTDRAZIAOPGMW-UHFFFAOYSA-N 298.496 4.820 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](CC)C[C@H](NCC)C1 2239505870 ZYRXVMLEWGSRQK-WNRNVDISSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCOCC1(CNCCC)CC1 2239509849 IJUVJOXKAFKLJW-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCC[C@@H](C#Cc1ccc(C)cc1)NCCC 2239741512 PANCWWNMMVBYKY-IBGZPJMESA-N 271.448 4.685 30 10 CJEE C=CCC(C)(C)Oc1c(C)sc(CNC2CCC2)c1C 2240074685 GUHFEENVIFQFIL-UHFFFAOYSA-N 293.476 4.741 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC1CC(C)(C)C1 2240666007 IYNZXJFYJRJDGV-SJLPKXTDSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(O)CCCCCC1 2240667717 YUSMZEHEGUNDGD-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE C=C(C)CCCCC[C@@H](COCc1ccccc1)NCC 2241944985 NNPXYWBPQMXFBE-IBGZPJMESA-N 289.463 4.708 30 10 CJEE CCC=CC(=O)c1cc(Br)cc(C(C)C)c1 2243082026 HTEILTXKSWAPHQ-UHFFFAOYSA-N 281.193 4.721 30 10 CJEE C=C(C)CCCCNCc1cc(Cl)sc1Cl 2244639301 MEPLZTHYSCMOHA-UHFFFAOYSA-N 278.248 4.891 30 10 CJEE FC(F)(F)C1(CSCCCCCS)CCC1 2245522680 JNYJYEJPWANLHD-UHFFFAOYSA-N 272.401 4.552 30 10 CJEE C[C@@H]1CCCCCCN1CCCCCCCS 2252650459 ABACIDMOCYHGLY-OAHLLOKOSA-N 257.487 4.521 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C=O)CCCC2(C)C)C1 2253998047 SQJNGBPOTJCXEJ-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE FC(F)(F)C1(CSCC2(CS)CCCCC2)CC1 2255171911 IGQFDOSNNAJWMC-UHFFFAOYSA-N 298.439 4.942 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@H]2CC[C@@H](C)C2)C1 2256634306 VLZUDDRMMDBPFK-IBEHDNSVSA-N 265.466 4.874 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2261009539 MPIWCXSQUGLJIK-OAHLLOKOSA-N 283.198 4.611 30 10 CJEE CCCCCCCC[C@@](CC)(OCCN)C(C)C 2263111939 HONBHJFYPUADBT-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE Cc1cc(C)cc(N(C)CCCCCCCS)c1 2263206519 HWQVOZYREMOMHY-UHFFFAOYSA-N 265.466 4.620 30 10 CJEE C=C1CC([C@H](NCC)c2ccc3ccsc3c2)C1 2263971835 PEBBFJNTRIKASM-MRXNPFEDSA-N 257.402 4.518 30 10 CJEE C=CC1(C[C@H](C[C@@H]2CCCC23CC3)NCC)CCC1 2266575300 MFFMDWXLAWPMMH-HOTGVXAUSA-N 261.453 4.681 30 10 CJEE COc1c(C(=O)C2=CC[C@H](C(C)C)CC2)csc1Cl 2268958667 FKMOLVMCLDLJND-JTQLQIEISA-N 298.835 4.975 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1CCC[C@H]1C(F)F 2270044066 NANZSBWPCAEUSB-LSDHHAIUSA-N 273.411 4.736 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2nc(C)cc3sccc23)C1 2270606322 AIOGUPSQFDDRRA-MLGOLLRUSA-N 270.401 4.576 30 10 CJEE CCCCCCCC[C@H](O)c1cnc(OC)c(Cl)c1 2271655642 HHVOFRUBCJONHY-AWEZNQCLSA-N 285.815 4.528 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCc2sccc21 2271785159 KIIRQMUAFNDAHZ-GDBMZVCRSA-N 277.477 4.893 30 10 CJEE C=C[C@H](C)CCN[C@@H]1CCCC[C@@H]1c1ccccc1 2273026858 PXAYUPCVLNEMIL-CGTJXYLNSA-N 257.421 4.515 30 10 CJEE C[C@@H]1C[C@](C=O)(CC2CC(CC(C)(C)C)C2)CCS1 2274150025 GPJQRPHCOCESBP-VXTDNTOSSA-N 282.493 4.940 30 10 CJEE CCCCCC#CCN[C@H]1CC(C)(C)CCC1(C)C 2274542683 OFXILCRJYDLQCH-INIZCTEOSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@H](C)CC(C)C 2276211709 GCNHWNAWPULFDJ-SJORKVTESA-N 269.473 4.539 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@H]2N(CCCCCCCS)C1 2277500411 CWSCKBMMPDETGE-IXDOHACOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H](C)CC 2278245773 WRBFZVWIXHYVOK-BBWFWOEESA-N 271.489 4.642 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CC[C@@H]2CCCCC23CC3)C1(C)C 2279737182 NROGUROGGSYMLR-HDMKZQKVSA-N 275.436 4.692 30 10 CJEE C[C@H]1CCC[C@H](CCn2ccc3c(C#N)cccc32)C1 2279813928 SHEQGWCDNNHAFE-LSDHHAIUSA-N 266.388 4.729 30 10 CJEE CC1CC(CS)(CN(C)[C@H]2CCC[C@H](C(C)(C)C)C2)C1 2280054470 HBEPRCWKIQCPSM-LPMVOBIJSA-N 297.552 4.869 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](O)c1csc(C2CC2)c1 2283065038 YQTZVWAHLJZWGC-RDJZCZTQSA-N 295.492 4.607 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CC=CC#CC(C)(C)C 2284084945 XXRHWQCKCUCEKN-AOIWGVFYSA-N 276.464 4.806 30 10 CJEE C[C@H](C[C@@H](C)C(F)(F)F)N(C)CC=CC#CC(C)(C)C 2284175851 AEXXCFXQQQRDIL-ZIAGYGMSSA-N 289.385 4.501 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1C[C@]1(C)COC 2284623040 LDMFFWNMOKCQAP-ZWKOTPCHSA-N 281.484 4.508 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1Cc2ccccc21 2287413954 MMLJOFPJVQHUSQ-RTBURBONSA-N 271.448 4.831 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC(C)C)CCCOCC1 2287466934 KFRMAGHCHGVSRL-GOSISDBHSA-N 281.484 4.555 30 10 CJEE CCCCCCCCCCCC[C@H](CCNC)NCC 2287577457 VNBRKKTZLLSSKR-GOSISDBHSA-N 284.532 4.885 30 10 CJEE C#CC[C@H](CN(C)CC[C@@H](C)CCCC(C)C)C1CC1 2287918399 UCOJRDHSXGFQAD-PKOBYXMFSA-N 277.496 4.820 30 10 CJEE CCCCCCCCCN(CCC(C)(C)C)C[C@H](C)N 2288064259 ZBNBGHOYEJLXPJ-KRWDZBQOSA-N 284.532 4.822 30 10 CJEE CCCCCCCCCOCC[C@H]1CCCC[C@@H]1NC 2288879873 KVVNEIMDWRAAQM-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCCCCCCCC[C@@H](CCC)OCC(=O)O 2291310888 HPWFAYLQCZAWFE-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@@H]1CC[C@@H](C)C1 2291602599 YQQFCRYQONMTDC-INMHGKMJSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1CC[C@H]1C)OCCN 2292628545 IAFKAPHIVDWKMV-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@]1(OCCC(=O)O)CCCC[C@H]1C 2292720955 HCJMZUMYLGEXMB-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC(F)(F)C1)OCCN 2293207335 IJQYRYHNJHZSFD-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1csc(C)c1 2293784437 ILWDJNQGSHCFOS-KRWDZBQOSA-N 295.492 4.990 30 10 CJEE C=C(F)C[C@@](CC)(OCCCN)C1CCC(C)(C)CC1 2294644248 ZNHWQJRBXNDKPL-QGZVFWFLSA-N 285.447 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N1CCN[C@@H](C)C[C@@H]1C 2295513690 AHUCXWQADVASDU-BZSNNMDCSA-N 282.516 4.588 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(Cl)c(Cl)c1 2301057287 HQIKKCPTXDWVQC-AWEZNQCLSA-N 271.187 4.795 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(OC)c(Cl)s1 2301920873 IIWFPJAGAMOBMN-VIFPVBQESA-N 294.247 4.593 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1c(C)csc1C 2304036255 TUXJGWXRRRUOJC-IAQYHMDHSA-N 251.439 4.618 30 10 CJEE C[C@H](N=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1 2313501905 FAEWLOPIQSPBBJ-JTQLQIEISA-N 294.181 4.879 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)c(Cl)c1CO 2313524272 JQHLZQJVESCZTA-UHFFFAOYSA-N 286.799 4.584 30 10 CJEE C=CC[C@H](C)Sc1ccc(C=O)c(C(F)(F)F)c1 2313622411 LRMFIWYWEDBTQM-VIFPVBQESA-N 274.307 4.575 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC1(F)F)NCC 2313724065 YXZBYQQMBWSSIK-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(F)c(C)c1Cl 2316594996 OJJDYYHEOOUAAI-ZDUSSCGKSA-N 290.209 4.971 30 10 CJEE Cc1c([C@H]2CCC[C@H](CC#N)O2)ccc(Cl)c1Cl 2318099469 PFNMFXJOYHHCPC-ZWNOBZJWSA-N 284.186 4.826 30 10 CJEE C=CCN(CCCc1cc(Cl)cc(Cl)c1)C1CC1 2318614147 LCAWTQWPVRXTNS-UHFFFAOYSA-N 284.230 4.576 30 10 CJEE C=C(C)CCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCC 2318931776 RYFDFTFLGLKMKS-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@H](CCC[C@@H]1C[C@H]1C)NCCC 2318945358 YLHSHCOZIUIQTQ-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=C[C@H]1CCCCN1Cc1cc(F)c(Cl)cc1Cl 2325189468 LWXPIZDYTXWOGF-NSHDSACASA-N 288.193 4.673 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]1C(F)(F)F 2333706282 JRXBKFWFVDIXRH-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)cc1C 2335228730 BXDDKUQMXHROGK-GJZGRUSLSA-N 277.477 4.940 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H](c1ccccc1)C(C)C 2338739935 AJUIRCSGUKOKJT-MSOLQXFVSA-N 257.421 4.522 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(F)c(C)c1C 2340956697 UCFHPRWJPIHJSK-QGZVFWFLSA-N 265.416 4.977 30 10 CJEE C=C(C)C[C@H](C[C@H]1CCCC[C@@H]1C(F)(F)F)NCC 2341927966 CQQLIEUJZZEZBS-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(Cl)c1F)NC 2344348872 OGGISZXHBGIKHR-ZBFHGGJFSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)C(=O)c1cccc(-c2ccccc2)c1 2344362203 ORGPJWONWYHCCB-AWEZNQCLSA-N 250.341 4.749 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc2ccccc2c1C 2344378877 MYYGWYUQKFJOQF-QGZVFWFLSA-N 253.389 4.750 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(CC(C)C)cc1 2344456395 DNTBXTRSRWEIKK-QZTJIDSGSA-N 260.421 4.911 30 10 CJEE CC1(C)CC(CS)(COC[C@H]2C[C@@H]2C2CCCC2)C1 2344978617 XMSIIVCHGIVUIC-HUUCEWRRSA-N 282.493 4.566 30 10 CJEE C=CCC(CC=C)S[C@@](C)(CCC(C)(C)C)C(=O)O 2352211072 CCSUFIJQIWSOSU-INIZCTEOSA-N 284.465 4.910 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NN 2354853499 HLDQKUBNRNQFSG-BDXSIMOUSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H]1[C@@H]2CCOC[C@@H]21 2355957379 QNUVPAGITDOHJR-OWSLCNJRSA-N 282.468 4.551 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCc2ccccc2C1 2359353370 GWPBHMIYUNPVQF-XIVBQZFQSA-N 265.400 4.512 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1 2359391756 NIFKYVWZQNIMGA-QXAKKESOSA-N 274.448 4.704 30 10 CJEE C=CCC(CC=C)Sc1cc(C)nc2ccc(N)cc12 2360208869 VJOZVYANHAPMOI-UHFFFAOYSA-N 284.428 4.738 30 10 CJEE C=CCC(CC=C)Sc1c(F)cccc1CNC(C)C 2360372381 SLUVKGAGMQOZDR-UHFFFAOYSA-N 293.451 4.937 30 10 CJEE FC(F)(F)c1cccc(/N=C/c2c[nH]c3ccccc23)c1 270884 XLDXPJATSYYKQB-AWQFTUOYSA-N 288.272 4.937 30 10 CJEE Cc1cccn2c([C@@H](C)C#N)c(-c3ccc(Cl)cc3)nc12 31921493 XOXLBDBFGUACNW-LBPRGKRZSA-N 295.773 4.590 30 10 CJEE C=CCSc1ccccc1NCc1cccc(OC)c1 37496215 MMZGIXAGSYYHCM-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE C[C@H]1CCC[C@@H](C)C1Nc1cccc(OCCCC#N)c1 37777394 LCJHABGCNDOSPU-MVVMVCHASA-N 286.419 4.606 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Nc2ccc(Cl)cc2)c1 49670613 QADAYFMRQNIRFF-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](N)c1ccc(C)cc1 59083783 JVGCLRATRMGFNT-WMZOPIPTSA-N 277.452 4.760 30 10 CJEE N#Cc1cc2ccccc2nc1SC1CCCCC1 71390696 PATNLEQQBUSEBJ-UHFFFAOYSA-N 268.385 4.531 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)C1CCCCCC1 89561037 FNPDYZPKPWAXCN-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@@H](CSc1cccc(Cl)c1)NCC 90239262 JQRMZKQSTLMNBZ-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE SCC1(CN2CCC[C@@H]2C2CCCC2)CCCCCC1 94580418 LXPOVKOFXYUEGJ-QGZVFWFLSA-N 295.536 4.911 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc2ncccc12 97419547 FDDZAUHLXMAZOD-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCn1c(CN)nc2cc(C(C)C)ccc21 105502667 UIMGJTDNISMVQM-UHFFFAOYSA-N 287.451 4.589 30 10 CJEE CCCCCCCO[C@@H](c1ccsc1)[C@@H](N)CC 105551298 VJWRAUXHMSZNMD-GJZGRUSLSA-N 269.454 4.514 30 10 CJEE C[C@@H]1C[C@H](Oc2ccc(Cl)cc2C#N)CC(C)(C)C1 110261794 CYIRXDUUKINXBE-RISCZKNCSA-N 277.795 4.805 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc2c(c1)CCCC2 110262923 NEUQAFYBMNPIOD-UHFFFAOYSA-N 283.758 4.883 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H]1CCCOC1 116141335 XMDIWDFJBPZZCK-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOCC[C@@H]1CCC[C@H]1NCC 118779594 HNLUAVHFERSBIW-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CSc1cccc(Nc2c(F)cccc2Cl)c1C#N 122248281 RZVHMUUTEBGXSS-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(CC)cc1 125458070 DGVVEMVWFVHXGO-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc2c(s1)CCCC2 125737560 YVTQLGPHDSPTSC-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCC(=O)c1ccncc1OC 134624118 NVLJVWWNOMFNDY-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(CC)nn1CC 139396254 QFGYXALIPQASGE-KRWDZBQOSA-N 293.499 4.867 30 10 CJEE CCCCCCCCSCC(=O)c1ccccc1 142630633 LUAWRNIDMLYCEV-UHFFFAOYSA-N 264.434 4.963 30 10 CJEE CC[C@H](Nc1cccc(SC)c1C#N)c1cccs1 167584891 XHBAQBRKBMFYBR-LBPRGKRZSA-N 288.441 4.905 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCC[C@@H](C)C2)C1 217941366 WKOQXPNCVHYZII-DUQPFJRNSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCNC1=N[C@H](C)C[C@H](C)S1 228154047 XAUAYDIPPYMRLM-CABCVRRESA-N 284.513 4.987 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)ccc2F)C1 228876968 WAPPOIMPHJZAHZ-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NC)c2cc(F)ccc2O1 229146800 KCNLVYAZPOSNNS-GDBMZVCRSA-N 279.399 4.598 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 235402670 YAHOENZDQHHZFD-WCQYABFASA-N 274.795 4.616 30 10 CJEE N#Cc1ccc(NCc2cc(F)ccc2Cl)c(Cl)c1 236206344 KSFPMKWUCJWIIG-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@@]1(CNC)C[C@@H]2C[C@@H]2C1 250795960 ASYIISWIQVNJEJ-FVQHAEBGSA-N 251.458 4.763 30 10 CJEE CCC[C@@H](C)[C@H](C#N)c1ccc(OCC(C)C)cc1 300461368 FQWZXBGDRTUDRD-PBHICJAKSA-N 259.393 4.765 30 10 CJEE C=C(C)C[C@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 318170641 UGBDWRMWJUVVJA-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CC(C)CNC[C@]1(CC#CC(C)(C)C)CCC[C@@H](C)C1 318611851 BYTISTWAFMRVCY-MJGOQNOKSA-N 277.496 4.868 30 10 CJEE C=CCCC[C@]1(CNCC(C)C)CCC[C@@H](C)C1 319977436 NXRDGMZVQVBLIJ-SJORKVTESA-N 251.458 4.785 30 10 CJEE C=CCSc1cccc(Cl)c1[C@H](C)NCCC 379759528 CWBGOPAUFGEJGR-NSHDSACASA-N 269.841 4.679 30 10 CJEE C=C[C@@](C)(CNCCC)C[C@@H](C)C1CCCCC1 380902131 OHWAKMOMQJPPPU-NVXWUHKLSA-N 251.458 4.785 30 10 CJEE C=CCCCCCCNC[C@@H]1CSc2ccccc21 382037003 SSSJYYAXLPMXIA-OAHLLOKOSA-N 275.461 4.602 30 10 CJEE C=CCCCCCCNCCCCc1ccccc1 389175974 JORYYUBYBYFJMJ-UHFFFAOYSA-N 259.437 4.735 30 10 CJEE C=CCCCCCCN[C@@H](C)[C@H]1CC2CCC1CC2 394381101 QGGALGIDGJCZBL-FCCDEINASA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](C#N)Nc2ccc(C)cc2)C1 394541897 UHLCHKCTLLBGTJ-BFYDXBDKSA-N 256.393 4.516 30 10 CJEE N#CC1([C@@H](O)CC2CCCCCC2)CCCCCCC1 394637893 TTXWYQYMLAGMBW-KRWDZBQOSA-N 277.452 4.962 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403416308 WMIRIHXPSDOLIK-VQHPVUNQSA-N 252.442 4.924 30 10 CJEE C=CCCCCC[C@](C)(CNC1CC1)c1ccccc1 405582342 ZFIVELUIQOCTKD-LJQANCHMSA-N 271.448 4.833 30 10 CJEE C=C1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CCCC[C@@H]3[C@H]12 675083718 KNVWWCVZORBSTC-QAGGRKNESA-N 270.416 4.684 30 10 CJEE C#CCCCCC[C@H](CC1=CCCCC1)NCCC 686681447 QKCWJSSJWYWQNB-GOSISDBHSA-N 261.453 4.829 30 10 CJEE C#CCCCCCSc1ccc(C(F)(F)F)cc1N 686687240 YZBKCYGTZQKEPK-UHFFFAOYSA-N 287.350 4.573 30 10 CJEE C#CCCCCC[C@H](N)c1ccc(F)c2ccccc12 686688913 YRHIIKISGWMILE-SFHVURJKSA-N 269.363 4.562 30 10 CJEE C#CCCCCC[C@H]1CCCCC[C@H]1CNC(C)C 686691728 QPCTXVRVDRJQQY-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CC[C@@H](/N=C1/NC2(CCCC2)CCS1)C1CCCCC1 687319740 DHGNFEIYGDHYAC-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(COC)cs1 690045196 FQCCMPFMQIIBGR-OAHLLOKOSA-N 298.496 4.540 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc(CC)nc(Cl)c1C 692241809 LIMNCQCMAJAGSY-OLZOCXBDSA-N 293.842 4.548 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC(CC)(CC)CC 692271756 KBZHWTBTLRSLMO-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CSc1cccc(NCc2cc(C)cc(C)c2)c1C#N 693262991 UMMUJPDUXGHJIU-UHFFFAOYSA-N 282.412 4.509 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](C)[C@@H]1CCO 700308066 ZWLYODORYQYMGZ-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE C=CCC1(NCC2C3CC4CC(C3)CC2C4)CCCC1 700653661 OCNUUQJJUSTOKO-UHFFFAOYSA-N 273.464 4.537 30 10 CJEE SC[C@@H](CSc1ccc2ccccc2c1)C1CC1 701995709 XWPQTMJFYVYTIE-HNNXBMFYSA-N 274.454 4.888 30 10 CJEE C=CCCCCCC(=O)c1ccc2cnccc2c1 702783130 DUMSNSQQRUGBPF-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCCCCCCCCCC1(N)CCSCC1 704906332 DDJWKGHKJFZVFW-UHFFFAOYSA-N 257.487 4.742 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccns1 705424282 RMMKALAOCVULIT-ZDUSSCGKSA-N 254.443 4.674 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)cc1 710569620 XXBXGAAHVOGKHP-CYBMUJFWSA-N 258.192 4.523 30 10 CJEE N#Cc1ccc2c(c1)nc(-c1cscc1Cl)n2C1CC1 711502068 FROQRMKZWJMYJS-UHFFFAOYSA-N 299.786 4.625 30 10 CJEE CC(C)CC(=O)/C=C\c1ccc(Cl)c(Cl)c1 714560433 KGVHDADNAVVGNF-HYXAFXHYSA-N 257.160 4.622 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1csc(Cl)c1 718563800 HPDGZZRAVFKUDG-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2cc(F)cc(F)c2)C1 719377040 MAZWVGWCODDGRD-LGSVPQMISA-N 263.331 4.644 30 10 CJEE C=C1CCC(C[C@]2(C=O)CCCc3ccccc32)CC1 724574440 BRIZXKYQRDHOTB-IBGZPJMESA-N 268.400 4.596 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@]2(C)CC2(C)C)CC1 724598831 BWVLMRYDXJSSMX-AEFFLSMTSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@H](N)C(F)F 724734367 MJFBKPIACOVQHC-CABCVRRESA-N 293.442 4.641 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/N[C@H](C3CCCC3)CCS2)CC1 725084680 IJUHCPYXBYZTCW-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE C#CCCCS[C@@H](C)c1ncc(-c2ccccc2)o1 766743049 YCTKMUUYCLKAOS-ZDUSSCGKSA-N 271.385 4.549 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(C2CC2)c1 821996904 MZRKQZWOXKHYIZ-MJGOQNOKSA-N 269.432 4.789 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)c1ccc(CCC)s1 1124812994 VRHLDQFFNOHVAZ-UHFFFAOYSA-N 299.439 4.529 30 10 CJEE C=C(CC)CNCc1ccc(N(CC)c2ccccc2)cc1 1178949598 GZGGWTQZZUHGSL-UHFFFAOYSA-N 294.442 4.900 30 10 CJEE C=CCCCCCN1C[C@@H](C)C[C@H]1c1ccccc1F 1191317925 ODSVBPNMISKJFK-YJBOKZPZSA-N 275.411 4.955 30 10 CJEE C=CCOc1cccc(CNc2cccc3c2CCCC3)c1 1199498393 MYZOAVMRTRNJTC-UHFFFAOYSA-N 293.410 4.742 30 10 CJEE C=CCN(CCCCCOc1ccccc1)c1ccccc1 1205443232 YYBBNEMIMDQHHX-UHFFFAOYSA-N 295.426 4.928 30 10 CJEE C#CCCCCC(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 1264907664 ZCGVDQXPCNVUCH-HXUWFJFHSA-N 299.458 4.646 30 10 CJEE C#CCN(CC[C@@H]1CCC[C@H](C)C1)[C@H]1CCc2ccccc21 1307430896 PJCRLHUQKDMTMV-WFXMLNOXSA-N 295.470 4.826 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCC[C@H](CC)C2)CCCCC1 1353930999 AEFQQGIEOACAIX-HOTGVXAUSA-N 277.452 4.598 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(OC2CCCC2)cc1 1353984441 BSULTEQPYJCBHX-UHFFFAOYSA-N 299.414 4.530 30 10 CJEE C=CCCCC(=O)O[C@H](CC)c1ccc(Cl)cc1F 1358426291 RFIQYGOOOCGCSL-CQSZACIVSA-N 284.758 4.830 30 10 CJEE C=CCOc1ccc(OC(=O)[C@H](CC)CCCCC)cc1 1435310451 XJFZMYLMEOOSFT-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1nc2ccccc2s1 1458352364 CNZMQMBXYGRDKI-UHFFFAOYSA-N 294.423 4.879 30 10 CJEE C=CCN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(C)(C)C 1461627632 IQZKCICFOVHVQT-SDNWHVSQSA-N 299.458 4.810 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(OC(C)C)c(OC)c2)C1 1474422105 QEVLUIQTRSKNBK-HUUCEWRRSA-N 289.419 4.639 30 10 CJEE C=CCCC(C)(C)CNC[C@H](C)c1cc(F)cc(F)c1 1474660967 YNPAZODCOZONIC-ZDUSSCGKSA-N 281.390 4.650 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1524064253 YKBUNLKOJBMGJP-DYVFJYSZSA-N 293.838 4.756 30 10 CJEE C=CC1(CC(=O)N(CCCC)[C@@H](C)CC)CCCCC1 1526093418 NHFSCCQHVJLYFC-INIZCTEOSA-N 279.468 4.940 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](CC)c1ccc(F)cc1F 1527500338 RJWNEERQWAUNJS-MRXNPFEDSA-N 294.341 4.728 30 10 CJEE CC#CCCCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 1529854114 YQVOYMKUQJSLNU-GOSISDBHSA-N 285.431 4.568 30 10 CJEE C=CC(C)(C)C(=O)Nc1cc(Cl)ccc1SC(C)C 1530610702 PHJPPTSIVPYQNF-UHFFFAOYSA-N 297.851 4.991 30 10 CJEE C=CCCCC(=O)N(CC)[C@@H](CC)Cc1ccc(C)cc1 1532608104 PLILVOCSGPOILW-SFHVURJKSA-N 287.447 4.521 30 10 CJEE C=C(C)c1cccc(NC(=O)C/C=C/c2ccc(F)cc2)c1 1537414598 QHURSMQKWGRKSP-HWKANZROSA-N 295.357 4.901 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cc(C)ccc1C 1545693298 PUGRRLGOESWHCY-SFHVURJKSA-N 285.431 4.569 30 10 CJEE C=C(C)CCN[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1560092097 SWPSPKFMUNFLNJ-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C=CCC1(CN[C@H](C)CCc2ccc(F)cc2)CCCC1 1560830734 GIMOTVHUIUZQNI-MRXNPFEDSA-N 289.438 4.873 30 10 CJEE C=CC(C)(C)C(=O)O[C@H](C)c1oc2ccccc2c1C 1584922027 QJLKTZXBDZQWSJ-GFCCVEGCSA-N 272.344 4.558 30 10 CJEE C=CCCOc1ccc(-c2ccccc2)cc1Cl 1613190135 LGPJRNTUCARKDY-UHFFFAOYSA-N 258.748 4.962 30 10 CJEE C#C[C@H](NC[C@H](C)C1CCCCC1)c1ccc(Cl)cc1 1621368653 PKSZDEXVOTUDLL-KSSFIOAISA-N 289.850 4.820 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2C[C@H]2C2CCCC2)c1 1628034011 OQDAQHMRHRVPAG-WMZOPIPTSA-N 298.430 4.668 30 10 CJEE CO[C@@H](CSc1ccc(C)cc1C#N)C1CCCCC1 1644191599 HKJREULIIRFRDD-INIZCTEOSA-N 289.444 4.554 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CCC)c2ccccn2)c1 1648439152 QFEUIUPDJZWHMN-QGZVFWFLSA-N 294.398 4.637 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cscc1Cl 1651319397 KXCITLLLALLZJI-SMDDNHRTSA-N 269.841 4.626 30 10 CJEE C=C1CCC(CNCc2ccc(CC(F)(F)F)cc2)CC1 1651531997 UGWYEIKWPCNTIS-UHFFFAOYSA-N 297.364 4.627 30 10 CJEE C#Cc1cccc(N(CC)Cc2cccc(C(C)C)c2)c1 1653762307 RSSGKWZGCDUGKQ-UHFFFAOYSA-N 277.411 4.818 30 10 CJEE C=C1CCC(CNCc2c(C)cc(Cl)cc2C)CC1 1656925134 AYFSZBIZWHYQGK-UHFFFAOYSA-N 277.839 4.793 30 10 CJEE C=C(C)c1cccc(N[C@H]2CS[C@H](C(C)C)C2)c1 1660164595 MMWFBSLJLCVQFY-CVEARBPZSA-N 261.434 4.662 30 10 CJEE C#Cc1ccc(N[C@H](C)Cc2ccc(F)cc2Cl)cc1 1660184019 ZFAPGXLBRWMXFN-GFCCVEGCSA-N 287.765 4.504 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](CC#CC(C)(C)C)NC)CC1 1878040065 VKWCMBBRJXRDJQ-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE C=CC[C@H]1CCCCN([C@H]2CCC23CCCCC3)C1 1883701738 CBKZUWUYIULVOQ-IRXDYDNUSA-N 261.453 4.778 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc(Cl)c1F 1885235236 DJNJJPJTRKBGLP-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNCCC)CCC[C@@H](CC)C1 1887473847 BXKVIIDBIDKLCO-KSZLIROESA-N 263.469 4.622 30 10 CJEE CCCCCCCCCCCCN(C)CC1(CO)CC1 1915526974 XPFBPENJIQLVRA-UHFFFAOYSA-N 283.500 4.612 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCC3(CCCCC3)C2)C1 1915926798 YWPLEILJRPQZCT-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[S@](=N)(=O)[C@H]1CCC[C@@H](C)C1 1917915149 FFBYDVDPHYWYHD-VKJFTORMSA-N 273.486 4.972 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC1CCCC1 1917945123 PCVUENJMAWMNIP-KRWDZBQOSA-N 259.459 4.584 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1cscc1Cl 1919409698 VESWYRODDIPJIM-CQSZACIVSA-N 288.840 4.696 30 10 CJEE CCCCCCCC[C@@H](N)[C@](C)(O)c1ccc(CC)s1 1920341475 PBZYYOJNRMSUGO-WBVHZDCISA-N 297.508 4.596 30 10 CJEE CCCCCCC[C@@H](N)[C@@](C)(O)CCCCCCC 1920343543 UHAXAWKBLOLSAF-SJORKVTESA-N 271.489 4.786 30 10 CJEE CCCCCC[C@@](C)(O)C1(C#N)CCC(CC)CC1 1921120527 QLMSPACPPUYAMQ-AQFXKWCLSA-N 265.441 4.818 30 10 CJEE N#C[C@@]1(C[C@H]2CCC3(CCCC3)O2)CCCC12CCC2 1921628525 ZFJUETBOSHBXQY-WBVHZDCISA-N 273.420 4.732 30 10 CJEE C=C(COCc1ccccc1)[C@@H](CC(C)(C)CC)NCC 1922092650 UQRITLZOUVNSRP-GOSISDBHSA-N 289.463 4.564 30 10 CJEE C=C(COCc1ccccc1)[C@@H](N)C[C@H](C)CC(C)(C)C 1922110726 DMOKEJSMUVOEGO-YJBOKZPZSA-N 289.463 4.549 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1c(F)cccc1Cl 1964220508 OXADSZMTBUVKEE-NWDGAFQWSA-N 269.791 4.875 30 10 CJEE Cc1cccc2c1CC[C@@H]2Nc1ccc(C#N)cc1Cl 1969348997 NJEBHESPOOVANS-INIZCTEOSA-N 282.774 4.620 30 10 CJEE Cc1cc(C)c([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1C 1975305086 YEIJONHDGDNZQH-CVEARBPZSA-N 286.224 4.562 30 10 CJEE C=CCCCCNc1cc(Cl)cc(Br)c1 1975339559 AUFYKTBVVLLERM-UHFFFAOYSA-N 288.616 4.871 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2snc(Cl)c2Cl)C1 2002133571 HISOMOVKQVGTIM-PELKAZGASA-N 289.231 4.712 30 10 CJEE C=C(C)CCC[C@@H](NCC)c1ccccc1Cl 2003682332 GQZTXVYWWNVFSK-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C[C@@H]1CCC[C@H]1[C@H](C#N)Sc1ccccc1Cl 2006742691 LFKWTCTWOUGTMY-GYSYKLTISA-N 265.809 4.760 30 10 CJEE CCCCCCCCC(=O)c1cnccc1Cl 2007065495 CMTIEEORCVDDHY-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE CCCCCCCCCC[C@](C)(O)c1cncs1 2038281014 AGZWNGIFDGFPOC-HNNXBMFYSA-N 269.454 4.881 30 10 CJEE CCCCCCC[C@@H](CC12CCC(CC1)C2)NC 2039416300 TULJZFDZCYFLGV-CGZBRXJRSA-N 251.458 4.905 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](C)C1CCCCC1 2040522106 LLFYFBUTHGPJJT-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE CCCC[C@@](C)(C#N)CC(F)(F)c1ccccc1 2045999872 JBXPCLUQGZXFIQ-CQSZACIVSA-N 251.320 4.889 30 10 CJEE C=C(C[C@@H](NCC)c1ccccc1Cl)C(C)(C)C 2050516165 UWAKVIYNSGJXNK-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(Cl)c(C)c1F 2052909542 DEQVKLAKNUVZAV-AWEZNQCLSA-N 269.791 4.794 30 10 CJEE N#C[C@]1(CCSC2CCCCC2)CCCC12CC2 2053372394 VUWRNSZGPYVSRX-MRXNPFEDSA-N 263.450 4.916 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCC 2072385761 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COc1c(Cl)cc(Cl)cc1-c1cc(CC#N)c(C)o1 77074884 JPZNOCPWUYBYDH-UHFFFAOYSA-N 296.153 4.637 30 10 CJEE CCCOc1ccc(C)cc1C(=O)/C=C/c1ccc(F)cc1 83205186 KKFVVGKGTHRZJM-JXMROGBWSA-N 298.357 4.819 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2cccc(OC)c2)CC1 86949187 NKAZWLGHLRRWRT-CRAIPNDOSA-N 286.419 4.750 30 10 CJEE C[C@@H](CS)COc1c(Cl)cc(Cl)cc1Cl 87077867 KJNKNFGGHGOBDM-ZCFIWIBFSA-N 285.623 4.592 30 10 CJEE CCCC(CS)(CCC)CN1c2ccccc2C[C@@H]1C 94578445 CDNKAYJBOFDZTF-HNNXBMFYSA-N 291.504 4.954 30 10 CJEE CC(C)c1ccccc1OCCCCCCS 94583172 SPKGERZAOUIDGT-UHFFFAOYSA-N 252.423 4.679 30 10 CJEE CCCCCCCNCc1cccc(OC)c1OCCC 100126189 IRDTZXUDXFBPCT-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCCCCC(=O)N(CCC#N)CC(C)C 105779594 LYMLLOMYWNXSEK-UHFFFAOYSA-N 280.456 4.525 30 10 CJEE CCCOc1cc(C)c(Cl)c(C)c1C[C@@H](C)CS 107624417 YBNFKBWWJBXNBP-SNVBAGLBSA-N 286.868 4.854 30 10 CJEE CC#CC[C@H](C)c1c(C)c(Cl)cc(C)c1OCC 107650203 KWQOTVKPUOUNJN-NSHDSACASA-N 264.796 4.872 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CCCO1)NC 109724109 TWMRGBWRWKXPFU-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC1(CNCCC)CCOCC1 110214563 DIHRPPZXYNNGNL-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCC[C@H](C)Nc1nc2c(cc1C#N)CCCC2 110255888 PGVLNZOLCOIEBT-AWEZNQCLSA-N 285.435 4.603 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(Cl)cc2C#N)CC(C)(C)C1 110261796 CYIRXDUUKINXBE-FZMZJTMJSA-N 277.795 4.805 30 10 CJEE CCCCCCCCCCOc1cc(CO)ccc1OC 110369419 HMVZBEZDYVTUHY-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 111080729 PWQLDPNKHGJFLW-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE CCCCCCCSc1ccc([C@H](C)N)cc1 113831960 DLVCIAOYUSPXRI-ZDUSSCGKSA-N 251.439 4.769 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@]1(C)C1CC1 114061271 AXRLNEJGTIVLHT-IBGZPJMESA-N 294.527 4.590 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NC)C1(CC)CC 117341655 OSXXIVDIXCKXMN-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCn1ccc([C@@H](NC)C2CC2)c1 118248610 MMBNUPGPRIHVLT-SFHVURJKSA-N 276.468 4.909 30 10 CJEE CCCCCCCCCC(=O)C1(COC)CCCC1 118683779 JBRLBLIBVAWJDV-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1nccn1C 122339479 MBZLBMBGKNKXAD-INIZCTEOSA-N 280.456 4.765 30 10 CJEE CCCCCCCC[C@@H](N)c1ccccc1OCC 124745848 KBNDGRJJMNMQIW-MRXNPFEDSA-N 263.425 4.836 30 10 CJEE C=CCCC[C@@H](NC)c1ccc(Cl)cc1Cl 128844921 ODHQGGIGENGYHB-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCN1CC[C@H](CNCC(C)C)C1 129394083 HSZZEVRZUVUDTQ-LJQANCHMSA-N 296.543 4.695 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nccs1 131947188 RTIRGMZYZWPDBH-CYBMUJFWSA-N 255.427 4.707 30 10 CJEE CCCCCCC[C@@H](NCC)[C@]1(C)CCCS1 139562500 URJBAXXYRBUVLI-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)cc1F 158015693 DOUFWRIFFOKFGN-INIZCTEOSA-N 251.389 4.755 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](OC)C(C)(C)C 158248314 MFTMJGIQHXPEMB-HOTGVXAUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCN1CCc2cccc(N)c21 161707299 MRLADICDFWLTJA-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1cccc2ccccc12 212968018 VWSVUMKTUOEQKF-APWZRJJASA-N 278.399 4.669 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)c(F)c1 215060731 RHRWFMLPKVKECZ-LLVKDONJSA-N 288.753 4.718 30 10 CJEE CC(C)[C@@H](Nc1cc(F)cc(C#N)c1)c1cccs1 227611822 HSELMLVDEWKULV-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CN)[C@@H](C)C1 227748524 UDFVQTHECDWWTE-OALUTQOASA-N 296.543 4.824 30 10 CJEE C[C@@H](Nc1cc(F)ccc1Cl)c1ccc(C#N)cc1 231813214 KVMBHFMHUGKBFD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C=CCSCCN[C@@H](C)c1cc(Cl)ccc1Cl 231933410 MFKDZHIFFWEFIN-JTQLQIEISA-N 290.259 4.563 30 10 CJEE CCCCCCCC[C@@H](O)C(C(F)(F)F)C(F)(F)F 232931141 FLYUPWQEUKYFKR-SECBINFHSA-N 294.279 4.839 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccncc1CC 233164456 AOALISFEZVHIFU-GOSISDBHSA-N 274.452 4.821 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncccc1C 233164564 YGPHHBBJFOMENQ-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCc2ccccc21 233541829 DFCJFLOTCZGPAO-OALUTQOASA-N 271.448 4.831 30 10 CJEE Cc1cc([C@H](C)Nc2cccc(C)c2C#N)c(C)s1 235537516 JBNWKUNQFJVWIE-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE O=C(C1=CCCCCCC1)c1c(F)cccc1Cl 236259837 OUOAQDLJVQBTKU-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE O=C(CCCc1cccs1)C1=CCCCCCC1 236388012 NWIXKJODOZJOEO-UHFFFAOYSA-N 262.418 4.921 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@H]1C(C)(C)C 250810332 HFBMVSBBGOVBKJ-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE C=CCCN(C)C(=O)Nc1c(CC=C)cccc1C(C)C 276367892 CFOVRZKNVLTGHK-UHFFFAOYSA-N 286.419 4.578 30 10 CJEE C=CCCCCCCNCc1ccccc1C(F)(F)F 312402899 HVXDRGUHYICIOD-UHFFFAOYSA-N 285.353 4.932 30 10 CJEE C=CC(C)(C)CNCc1ccc(F)c(-c2cccs2)c1 384853105 MBDQFPZMUHICMX-UHFFFAOYSA-N 289.419 4.856 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(C)c(Cl)c1 387403034 AZRWLAAGLDABSG-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cccc(Cl)c1C 387625188 RTXUUYNBEXLDOO-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE C=C(COCC)[C@H](NCCC)c1ccc2sccc2c1 395826241 UBNWVWHZRBPZQX-KRWDZBQOSA-N 289.444 4.535 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(F)c1C 399089490 WECCLPNFJOYWGZ-MRXNPFEDSA-N 252.373 4.918 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1CCOC1)NCC 401071887 NGCNNPIEHOMLHH-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCCCC[C@H]1NC 403418397 PVIRPFATSHEDNG-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE CCCCCCCCOC[C@H]1CCC[C@H](NCCC)C1 403756124 DJDGNXPOCQAJKX-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCC(C)(C)[C@H]1NCCC 403834505 FUUYFOSRMYLMJJ-CVEARBPZSA-N 281.484 4.552 30 10 CJEE CCCCCCCC(=O)C(C)(C)N(C)C(=O)OC(C)(C)C 405499741 JZTMFFGSGXWCKC-UHFFFAOYSA-N 299.455 4.562 30 10 CJEE C=CCC(C)(C)CNC1CCC(C#N)(c2ccccc2)CC1 551240391 LHMCKBLCRJUCDQ-UHFFFAOYSA-N 296.458 4.582 30 10 CJEE C=CCC[C@@H](C)Nc1cccc(C(F)(F)F)c1C 689652128 BQDGCLUQBYCBTB-SNVBAGLBSA-N 257.299 4.780 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1C[C@H]1OC 690012247 ATDSOMJULTWFEZ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@H](NCC)c1cc(Cl)cc(F)c1F 690953650 VDHSLLTYZDIIPJ-ZDUSSCGKSA-N 273.754 4.625 30 10 CJEE Cc1nc(C)c(CC2(C=O)CC(C)(C)CC(C)(C)C2)s1 691368271 RXWORIZQUQVLBC-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC2CCC1CC2)NN 691778289 RTDRUASPKINWJU-OPQOLIRYSA-N 280.500 4.785 30 10 CJEE Cc1cc(NCCCC2CCCCC2)ccc1C#N 694081555 AQKYTFFDELSOPE-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cnc(Cl)n1C 696425561 AKDOYIAVLZUWKJ-AWEZNQCLSA-N 299.890 4.994 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@H](C#N)C2CCCCC2)CC1 697862489 MSFFDUQMJZDWIE-NJAFHUGGSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCC[C@H](O)c1cncc(OC)c1 700074220 DNTUYKDJGZBPKX-KRWDZBQOSA-N 279.424 4.654 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)CCC2CC2)C1 701116152 YZHHYNQBZBKXRP-DZOHQFGASA-N 276.468 4.605 30 10 CJEE CCN(C1CCC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 706781372 JMSJKQBQPYQLEM-ZMSDIMECSA-N 276.468 4.605 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCCC[C@H]1C(C)C 709250936 CFKAXYLJZRAEEC-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1OCC 709679369 OOYGKGVQVSPJPH-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(C(F)(F)F)c1 710482529 AFHWGKFWZWFLNM-ZDUSSCGKSA-N 291.744 4.889 30 10 CJEE C=C(Cl)C[C@@H](NC)C1CCC(CCCC)CC1 710661712 CKRFENPKNRTACV-YMAMQOFZSA-N 257.849 4.714 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CCCC[C@@H]21 712510989 UHCYUTZDYXOGGI-IJEWVQPXSA-N 273.445 4.955 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)cc1Cl 715704310 JAAAHJOHQDYPNZ-WFASDCNBSA-N 251.801 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CCC2(CCC2)O1 717668592 DHOKEFMTZZJVNW-IAGOWNOFSA-N 282.468 4.980 30 10 CJEE CCC[C@H](/N=C1/N[C@H](C2CCCCC2)CCS1)C1CC1 725080347 JRYJJERCCYGFIE-HOTGVXAUSA-N 294.508 4.597 30 10 CJEE CSc1c(C(F)(F)F)ccc2cc(CC#N)sc12 725316466 XMDIIQFKABIUDZ-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CCCCCCCCCC[C@@H](CO)C1CCOCC1 829266314 XXFFLSFROBFLRP-KRWDZBQOSA-N 270.457 4.552 30 10 CJEE C=CC1(CC(=O)Oc2ccc3cnccc3c2)CCCCC1 1133725013 MOMKPTZNFFSJHY-UHFFFAOYSA-N 295.382 4.667 30 10 CJEE C=CCCCCCCNc1nccc2c([N+](=O)[O-])cccc12 1186388487 UAVZNLHWFMZXSJ-UHFFFAOYSA-N 299.374 4.691 30 10 CJEE C#Cc1cccc(N(CCCC2CC2)Cc2ccccc2)c1 1192140413 WJBAMDXVSAPNST-UHFFFAOYSA-N 289.422 4.865 30 10 CJEE C=CC(C)(C)CCNCc1c(Cl)ccc2cccnc12 1203234393 GMSQRKVERHRKPW-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE C=CCN(Cc1cccc(Oc2ccc(F)cc2)c1)C1CC1 1205312661 WPXOJICDARJWOE-UHFFFAOYSA-N 297.373 4.768 30 10 CJEE CC1(C)CC(=O)C=C(Cc2ccc3ccccc3c2)C1 1250072865 IYDYOTTVQUBARL-UHFFFAOYSA-N 264.368 4.698 30 10 CJEE CCCCCCC[C@@H](C)NC1CC2(C1)CC(F)(F)C2 1258040727 HKGUGEHYJXZZMB-CYBMUJFWSA-N 273.411 4.903 30 10 CJEE C=CCC1(CNC(=O)CCCCc2ccccc2)CCCC1 1272426200 MGKXSXQSOZPVGT-UHFFFAOYSA-N 299.458 4.652 30 10 CJEE C=CC[C@@H]1N(CCC(C)(C)C2CC2)CCCC1(C)C 1307730264 XFORTJDQGAPMQG-INIZCTEOSA-N 263.469 4.879 30 10 CJEE C=C(C)c1cccc(NCC2=Cc3ccccc3OC2)c1 1308542935 GQRLQPYKWDQYSV-UHFFFAOYSA-N 277.367 4.608 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H](C)C1CCCCC1 1354025896 NUCCUFNKXFRXPZ-KRWDZBQOSA-N 299.458 4.808 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccc(F)cc1)C1CCCC1 1356306012 WKRYYSZSUSYDOE-CQSZACIVSA-N 289.394 4.704 30 10 CJEE C=CCCCCCCCCNC(=O)c1sccc1C 1436574889 VXTYCJJQJMOXKI-UHFFFAOYSA-N 279.449 4.703 30 10 CJEE C=CCC1(C(=O)N(C)C[C@@H](C)C(C)(C)C)CCCCC1 1439125987 ZADZFICVHKUPPM-OAHLLOKOSA-N 279.468 4.654 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C=C(\C)c1ccccc1C 1454584355 RHWWSYQKKVKUOD-DTQAZKPQSA-N 285.431 4.507 30 10 CJEE C=C[C@H](CC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 1459687906 GXWWHZCQHBULGA-MTNOOBJLSA-N 299.458 4.535 30 10 CJEE C=CCCN(Cc1ccc(Cl)cc1)c1ccccc1 1459708487 WSENYWGJNNGHJW-UHFFFAOYSA-N 271.791 4.923 30 10 CJEE C=C(C)CCN1CC[C@@H](c2cccc(Cl)c2)C1(C)C 1460735900 ZLNMYEKLYULOOC-INIZCTEOSA-N 277.839 4.874 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(C)ccc1C(F)(F)F 1461570052 SUSSHQBUBNYWJS-LLVKDONJSA-N 285.309 4.555 30 10 CJEE C=CCCC1(CNC(=O)N(CCC)CC(C)C)CCCC1 1470791081 YMANBMPJIVNBMI-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCCC(C)(C)CNCc1cccn1CCC(C)C 1474231544 UYGNQRZYTHDDEY-UHFFFAOYSA-N 276.468 4.616 30 10 CJEE C=CCCCCNC(=O)c1cc(C)c(-c2ccccc2)s1 1524208323 PNYQBPMQMSCLPE-UHFFFAOYSA-N 299.439 4.810 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cccc(-c2ccc(C)cc2)n1 1536066587 LFKSHVOGAZZEOS-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C#C[C@H]1CC[C@H](NC(=O)[C@H](C)CCCCCCCC)CC1 1536960502 MMAAYQHEDPRBIN-KZNAEPCWSA-N 291.479 4.681 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)NCCCCCCC(C)C 1563478393 ZBGOONBTINLBNO-QGZVFWFLSA-N 294.483 4.733 30 10 CJEE C=CC[C@H](C)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 1616981378 LCQZENJWNIFQLQ-FUHWJXTLSA-N 271.448 4.639 30 10 CJEE C#Cc1ccc(CN[C@@H](c2ccccc2C)C(C)(C)C)cc1 1620830039 XKSKROMCDSQOBK-FQEVSTJZSA-N 291.438 4.853 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)[C@H]2CC3CCC2CC3)C1 1621418791 VYZRWKREIPQXNK-JZIHLYOWSA-N 261.453 4.536 30 10 CJEE C=CCCCOc1cc(C(F)(F)F)ccc1Cl 1643515526 QDWUMLIIEAFALI-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CC(C)(C)CNCc1ccc(C2CCCC2)cc1 1651088728 ZUNKOTMBXJEUHA-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CCCC)c1ccc(F)c(F)c1 1657804411 GRFNIVSTWAMETL-LRDDRELGSA-N 267.363 4.750 30 10 CJEE C=C(C)[C@H](NCCCC1CCC1)c1ccc(F)c(F)c1 1658329305 VPHYLWZUFXAOSO-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H]1C[C@H](C)CC(C)(C)C1 1664987316 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PBHKXKKENHIHED-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCN(C)C1(C)C 2295676711 NNNWULKNPNIEMS-SJORKVTESA-N 282.516 4.588 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc(OC(F)F)cc1 2295979678 BSKCLJIRHHRKAH-WFASDCNBSA-N 283.362 4.541 30 10 CJEE CC#CCCCCNc1ccc(C)c(C)c1Br 2299841773 TWQTUXGVPSQMFG-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCC 2308144886 LGXUVULCEMNGQR-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE C=CCCCSc1ccc(C)c(Cl)c1C[C@@H](C)N 2314018277 MQQCQRCUKZCOAZ-GFCCVEGCSA-N 283.868 4.596 30 10 CJEE CCC(C#N)(CC)Cc1cc(F)ccc1C(F)F 2316181033 WMOIATAGJATRRJ-UHFFFAOYSA-N 255.283 4.636 30 10 CJEE C[C@@H]1C[C@@H](C)C1C1(C=O)CCC(C(C)(C)C)CC1 2317082777 HRKCBIOOJXQHJG-GXZXJKLZSA-N 250.426 4.700 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CC[C@@H]2C(C)(C)C)C1 2320290378 XBHJGIMACUTSSI-PNBKFKSVSA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C)c(F)c1Cl 2321119146 XKXYXJVJFXMNQS-CABCVRRESA-N 269.791 4.780 30 10 CJEE C[C@H]1C[C@@H]1CCCCOCC1(CS)CC(C)(C)C1 2321756830 LEDJDSNUBJZUDB-KBPBESRZSA-N 270.482 4.566 30 10 CJEE C=CCC[C@H](NCC)c1cccc(SC(C)C)c1 2327777759 IAPXDMXYTGSHFR-INIZCTEOSA-N 263.450 4.804 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC[C@H]1OC)NC 2333724896 IRABJCBVFIAXRS-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1[C@@H](C)NCCC 2335232961 UYUMWIOCQVWWJW-CHWSQXEVSA-N 281.440 4.943 30 10 CJEE SC[C@H](COc1cccc(C2CCC2)c1)C1CCC1 2336354071 GFASYVUIIWILCD-INIZCTEOSA-N 276.445 4.679 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](C(C)C)CC1 2337111452 LULHEXSPXPMVIQ-MHORFTMASA-N 263.469 4.926 30 10 CJEE N#Cc1cc(Cl)ccc1OCCCCCC(F)(F)F 2337455220 JQCPMRNVFBLQJP-UHFFFAOYSA-N 291.700 4.713 30 10 CJEE CCN[C@H](C#CC1CC1)c1ccc(-c2cccs2)s1 2337572379 FCHMIWZGAXZICP-CYBMUJFWSA-N 287.453 4.541 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(F)ccc1C(F)F 2338269078 FKOFVHNTRSQGBT-HZMBPMFUSA-N 271.326 4.626 30 10 CJEE C=CCC(CC=C)[C@H](CSC1CCCC1)NCCC 2338738350 LSAJRVBMXAYTGH-KRWDZBQOSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1c(C)coc1CC 2338747975 VVEYBFCEOAACBQ-QGZVFWFLSA-N 261.409 4.569 30 10 CJEE C=C1CCC(CNCC2[C@@H]3CCCCCC[C@@H]23)CC1 2340933150 ZVWCJPDGRGSGKK-IAGOWNOFSA-N 261.453 4.539 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OCC)cc1F 2341769104 OMXKMXKQYAHNLG-INIZCTEOSA-N 267.388 4.585 30 10 CJEE CCCCCCCC[C@@H](O)c1cccnc1C(C)C 2342161175 VVKGBFRDAYTWHD-MRXNPFEDSA-N 263.425 4.989 30 10 CJEE CC1(C)C[C@@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCO1 2343243632 SQEOSFOZOQFJDU-VBQJREDUSA-N 263.425 4.548 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(C2CCC2)c1 2344337200 OSMUJLKRDWONDE-ZWKOTPCHSA-N 257.421 4.946 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC2(CCC2)C1)NCCC 2344338909 DUZISMPCPHLJBA-INIZCTEOSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(F)c(C)c1 2344342173 HWMJWGOWQKMHJB-DLBZAZTESA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)c(Cl)cc1OC 2344344380 RZIOCYJTKIGLEZ-CVEARBPZSA-N 281.827 4.649 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C)(C)CC(F)(F)F)NCC 2344356493 MJMUOOFKTIJUBE-GFCCVEGCSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(F)cccc1F 2344375831 OMVBAWIGCCGXRM-JKSUJKDBSA-N 267.363 4.608 30 10 CJEE C=C[C@@](N)(CCC)CC1CCC(CC(F)(F)F)CC1 2353188536 BVWLYYLXXGHFBC-JXQTWKCFSA-N 277.374 4.819 30 10 CJEE C=CC1(Nc2ccc(C#N)c(SC)c2)CCCCC1 2353825419 RHRRZKPCLYWZJK-UHFFFAOYSA-N 272.417 4.581 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(SC)c1)c1cccs1 2353831062 HCLJQNUFLQVRED-ZDUSSCGKSA-N 288.441 4.905 30 10 CJEE CCCCCCC[C@](C)(Sc1ccccc1O)C(=O)O 2353870205 SVLZDZWCOVHPFJ-INIZCTEOSA-N 296.432 4.688 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(C)(F)F 2354656905 GXIJVXFNAKUPLF-RBSFLKMASA-N 290.442 4.640 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C)C1(F)F)NN 2354663961 XVVIAGJJNCOERN-QLFBSQMISA-N 290.442 4.640 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CC[C@H](C)O1 2358323598 QYNXIISUXOOPCT-KSZLIROESA-N 281.484 4.839 30 10 CJEE C=CCC[C@H](C)[C@@](C)(CCCC(C)C)OCCC(=O)O 2360236347 NSKVRZNJJRVNPB-DOTOQJQBSA-N 284.440 4.665 30 10 CJEE C=CCC(CC=C)Sc1ncnc(NCC)c1C(C)C 2360336616 LORVUSFGIZHNCM-UHFFFAOYSA-N 291.464 4.645 30 10 CJEE O=[N+]([O-])c1cc(/N=C/c2cccc(Cl)c2)ccc1Cl 288425 FOWAJKIZWIKIKI-LZYBPNLTSA-N 295.125 4.652 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1F 21502139 JQGIHDZIGFUYBK-QBIMZIAESA-N 289.394 4.675 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H]3CCCC[C@@H]3C2)C1 36809920 DAULLYFNPJHRAU-RHQZKXFESA-N 288.479 4.607 30 10 CJEE N#C[C@@H](C(=O)CC1CCCC1)c1ccc(Cl)cc1Cl 38137830 FJWOGHUFAWDDSX-CYBMUJFWSA-N 296.197 4.750 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCSC1CCCCC1 45366168 MOQRMAOEJQBXJE-INIZCTEOSA-N 282.497 4.503 30 10 CJEE Cc1cc(C)c([C@@H](C#N)CCOc2ccccc2C)c(C)c1 57695794 UDYDYWFJANWIEP-GOSISDBHSA-N 293.410 4.997 30 10 CJEE Cc1ccc(C)c(/N=C/c2cccn2-c2ccccc2)c1 59249182 KCDFVNPQWAZMLN-XSFVSMFZSA-N 274.367 4.845 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](CC(=O)O)c1cccs1 59462094 LJFFWLKVUOVCQI-KGLIPLIRSA-N 297.464 4.603 30 10 CJEE Cc1ccc(C)c(Oc2cccc(Cl)c2C#N)c1 70139502 VSJWBSHOXYYCNU-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CC(C)(C)c1oc(-c2c[nH]c3ccccc23)cc1C#N 77085783 OWVKWJXUXGHBHX-UHFFFAOYSA-N 264.328 4.597 30 10 CJEE COc1cc(C)c(Cl)cc1-c1cc(CC#N)c(C)s1 77095363 FPNIKVGRPIXZCB-UHFFFAOYSA-N 291.803 4.760 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)C[C@H](C)CC[C@@H]2C(C)C)C1 91875694 XEGALXKCRMJZGK-DZVNLGKHSA-N 277.452 4.530 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cccc(Cl)c2)CC1 91881678 IPSQBGUWJOEQND-BLDCVEFLSA-N 291.822 4.874 30 10 CJEE SCCCCCCCCCN1CCc2ccccc2C1 97799163 RASKGVWHYVPMKM-UHFFFAOYSA-N 291.504 4.705 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccccc1Br 107495528 ZJWONISCGUJFEW-VXGBXAGGSA-N 265.194 4.602 30 10 CJEE C#CC[C@@H](CC)c1cc(C(C)(C)C)ccc1OCC 107601090 SOWFQMMKGSOXOL-CQSZACIVSA-N 258.405 4.900 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(OCCC)cc1CC 107661438 HPTHYHRLGCZJRK-GJZGRUSLSA-N 258.405 4.801 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)ccc2Cl)c1 110250669 HJOYNKABPBNXFO-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC3(CCCCC3)CC2)C1 110265489 FASXLBRKVDWRLL-FGTMMUONSA-N 288.479 4.751 30 10 CJEE CCCCCCCCC[C@H]1Cc2ccccc2[C@H]1N 110445840 ZCCUZMUFPMVLEU-WMZOPIPTSA-N 259.437 4.999 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(OC)cc1 114871998 XZNCKCZQPJQLHL-QGZVFWFLSA-N 264.409 4.653 30 10 CJEE CCCCCCCCn1ccc(CNCC(C)C)c1 117986615 WAWPPUHMPZTEGR-UHFFFAOYSA-N 264.457 4.594 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](C)c1ccccn1 118066759 ZRTQUSVITXOHBW-JKSUJKDBSA-N 262.441 4.524 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)N(CC)CC 118140730 WUQBAIIOBMKDFF-INIZCTEOSA-N 271.489 4.608 30 10 CJEE CCCCCCC[C@@H](NC)C(C)(C)N1CCCCCC1 118149781 YPSFJOZXSXVYFZ-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(N(C)C)CCC[C@H](C)C1 118184347 OQHCJBNRVVOUPV-FHWLQOOXSA-N 297.527 4.999 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C)cc(F)c1 122604995 XVSGOWIALXWVFZ-INIZCTEOSA-N 251.389 4.885 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1OCCC 124756231 WBBWKRLMPRSVEK-QGZVFWFLSA-N 292.467 4.730 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccn([C@@H](C)CC)n1 125018784 AMPMRSQSDKGRIR-DOTOQJQBSA-N 280.456 4.508 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C#N)c(C)c2)c(C)s1 132640958 NDHMZXWEBIWYHS-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE C=CCCCN(C)C(=O)Nc1c(C)cccc1C(C)C 132798250 GAJLGIPCCFSEMV-UHFFFAOYSA-N 274.408 4.548 30 10 CJEE CCSc1cccc(Nc2ccc(CC)cc2)c1C#N 136613425 BNYOJYMYVMVNRP-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE CCSc1cccc(Nc2ccc(F)cc2C)c1C#N 136613971 ZHEUDYIEODTJQK-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(OC)c1OC 140385330 MWIUJZBVGNNAQA-MRXNPFEDSA-N 293.451 4.715 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)cc(Br)c1 167678152 OPEZXUYAVOWKQI-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCCC[C@@H](NC)c1cc2ccc(F)cc2s1 167747102 YCKZCUSJWOMGME-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CC#CCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 169064841 WAHWPOFIMMXQTN-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](NC)c1cnc2ccccc2c1 229532311 FUFGAVPIVZURRY-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@@H](O)C1 230268963 JBBFGUDGYKVWPN-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE CCCCCCCCCC(=O)Nc1ccnc(Cl)c1 232936994 XEHBSRQWIOUSJM-UHFFFAOYSA-N 282.815 4.814 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@](C)(CC)OCC 233163861 FOXGUYXINZGNCP-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCc2sccc21 234429203 DIZUPYAAIWJWIG-ZBFHGGJFSA-N 277.477 4.893 30 10 CJEE N#CC1([C@@H](O)c2ccc(F)cc2Cl)CCCCCCC1 236569205 FBDKTNIEYCSSPA-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE C[C@@H]1CCC[C@H](S[C@H](CC#N)c2ccccc2)C1 251850816 OZEZAGHVNKCMAA-VNQPRFMTSA-N 259.418 4.953 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1C[C@H]1c1ccccc1 300127506 AJUAKWLKYYHXBY-DLBZAZTESA-N 254.373 4.640 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1 300255558 ARPXPGNVMHZYFR-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H](N)CC#CC(C)(C)C 302279315 UHQKQIUUMXLHDQ-MRXNPFEDSA-N 251.458 4.894 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1Cl 308003461 BWVGORIIWFWWGV-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1CCCCCC1 311345537 RWFKXUOBBAHTLL-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCC(=O)c1cccc(Oc2cc(Cl)ccc2C#N)c1 312441309 WZVCDEPVXMJFFP-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE N#Cc1c(F)cccc1N[C@H]1CCCC12CCCCC2 313020406 XQIQIQSRTPASTQ-INIZCTEOSA-N 272.367 4.612 30 10 CJEE C=CCCCCNCC(c1ccccc1)c1ccccc1 313960148 REDBBDPIPFMAFV-UHFFFAOYSA-N 279.427 4.764 30 10 CJEE O=CC1([C@H]2CCOC3(CCCC3)C2)CCCCCCC1 317124869 MKVSNTPEYVLTBA-INIZCTEOSA-N 278.436 4.655 30 10 CJEE C=C(C)CCC1(CNCC)CCC(CCC)CC1 318022808 CXXROXBSICOWFY-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1O2 318044138 JLQKDVCGXBABNT-KZNAEPCWSA-N 281.484 4.673 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)c1ccc(Cl)c(Cl)c1 319857520 OFJCPKKCZTYJNI-ONGXEEELSA-N 256.176 4.893 30 10 CJEE CCCCCCCC/N=C1/N[C@@H](C2CCCC2)CS1 386374360 QMNRBYDEONFLSI-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE C=C(C)CCN[C@H](C)c1cc(F)c(Cl)cc1Cl 386881826 MGHRZVVTWMKZQD-SECBINFHSA-N 276.182 4.749 30 10 CJEE O=C(C1=CCCCC1)c1c(Cl)cccc1Br 390422260 RIKLBEUAHGFFEW-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 398073026 ANCCSGMDILOZGV-OLZOCXBDSA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCNCCC(F)(F)Cl 402075633 UPYGYKQZMAUWES-UHFFFAOYSA-N 269.807 4.938 30 10 CJEE C=C(C)CCO[C@@H]1CCCCCCCCCC[C@H]1NC 403418399 PVIRPFATSHEDNG-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1ccccc1Cl 410375606 QVEVEJUAOJDCFN-UHFFFAOYSA-N 299.801 4.640 30 10 CJEE N#CCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)nc1 514263661 UNOUDYZNNMWYNO-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCC[C@H](CNC1CC1)C1CCOCC1 696815730 BUXWKPNVORRYLJ-QGZVFWFLSA-N 281.484 4.532 30 10 CJEE CCCc1ccccc1OCCCCC(C)(C)C#N 699519708 PIKHGUVXOFCFSU-UHFFFAOYSA-N 259.393 4.738 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ncccc2Cl)CC1 703853624 GMDBKSDHLJRAIH-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE N#Cc1ccccc1Oc1cccc2sccc12 705101900 AMPXQQJMLZHPMF-UHFFFAOYSA-N 251.310 4.565 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(C)co1 716156029 YHFZAZNCMPXIQZ-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE CC(C)C1CCC(C=O)(CCCC(C)(F)F)CC1 718680592 AIQIGEBYNMSZKP-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE C=C(Cl)CCc1cccc(Cl)c1Br 719430599 IYNZCQNDRAVWKH-UHFFFAOYSA-N 279.992 4.788 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)CC1 724619514 UPSDKVNFYIQWQM-SJQORLFUSA-N 275.480 4.783 30 10 CJEE CC(=NNc1cccc(F)c1F)c1ccc(F)c(Cl)c1 743443933 YMIUULTXEFKATI-UHFFFAOYSA-N 298.695 4.593 30 10 CJEE c1ccc([C@H]2CCCCC(=NOCc3cccnc3)C2)cc1 765584818 SMVUTYWDGFVMGJ-SFHVURJKSA-N 294.398 4.702 30 10 CJEE Cc1cc(/C=C\C(=O)c2ccc(C#N)cc2F)ccc1Cl 781107491 HXCRJDVBZQMKMG-DAXSKMNVSA-N 299.732 4.555 30 10 CJEE Cc1ccc(N=CN(C)c2ccc(C)cc2C)c(C)c1 885012481 NXSHBRTWVPUISN-UHFFFAOYSA-N 266.388 4.716 30 10 CJEE C=CCCC[C@@H](c1ccccc1)c1nc(C(C)(C)C)no1 904349122 FIXMIWZGIGUHPW-HNNXBMFYSA-N 284.403 4.855 30 10 CJEE C=CCCC1(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CCCC1 1130910048 SHFABMDDEZBZTP-HZPDHXFCSA-N 291.479 4.702 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCO[C@@H](C)C1 1168144387 VXRZFQAUIUHHJM-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCCCC1(F)F 1190986516 ZYIVNXDXUPNTIU-INIZCTEOSA-N 285.422 4.880 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCCC)C1CCCCC1 1274157568 LNZWOXJGYFDPSX-OAHLLOKOSA-N 265.441 4.550 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cscc1C(F)F 1278999950 XHDRXIRCOXLYSG-ZWNOBZJWSA-N 299.386 4.550 30 10 CJEE C=CCSc1nnc(Nc2ccc(C)c(Cl)c2)s1 1307278686 CNTXYXABPAHJCU-UHFFFAOYSA-N 297.836 4.522 30 10 CJEE CCCCCCCCCN1CC[C@H](c2ccco2)C1 1307475568 CLZWKJMMDMUMLK-INIZCTEOSA-N 263.425 4.820 30 10 CJEE C#Cc1ccc(CN(CCCC)[C@H](C)CCCC)cc1 1308780390 XZQYLIOVARAGLQ-QGZVFWFLSA-N 271.448 4.849 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 1308974031 JTDQITCWRGFNQN-VQTJNVASSA-N 275.395 4.806 30 10 CJEE C#CCCCC(=O)N[C@@H](c1ccc(CCCC)cc1)C(C)C 1348959362 UKGVFMHTWGRJRC-HXUWFJFHSA-N 299.458 4.646 30 10 CJEE C=CC1(CC(=O)Nc2c(C)cccc2C)CCCCC1 1354136004 FGMIJOSIYNGUOB-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=CCN(C(=O)C[C@H](C)C1CCCCC1)c1ccccc1 1355008281 LAAJIGKNTFSYFD-INIZCTEOSA-N 285.431 4.812 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1cccc(C)c1 1435134635 PVAFXLPSMILIEE-KRWDZBQOSA-N 299.458 4.693 30 10 CJEE C=C[C@@H](OC(=O)c1cccc(C)c1Cl)c1ccccc1 1437635548 AMFVUZBDQUTEBQ-OAHLLOKOSA-N 286.758 4.733 30 10 CJEE C=C(C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1459882034 XIOFOAIEDHLZFV-VBNZEHGJSA-N 263.812 4.593 30 10 CJEE C=CCCC[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccccc1 1461716910 CNBKSTKREZRBTA-OTWHNJEPSA-N 287.447 4.631 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1CCC(C)C 1462278218 OJMDGXJZGNBROQ-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@]2(C)CC)c(Cl)c1 1462630299 SEDWHHJNMGUBKX-HOTGVXAUSA-N 261.796 4.702 30 10 CJEE C=CCOc1ccccc1CNC[C@@H](CC)c1ccccc1 1474005625 CQKWAUGOOCECFZ-QGZVFWFLSA-N 295.426 4.535 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1Cl)C(C)(C)C 1474562991 FYLIRYRXVPYUOF-OIISXLGYSA-N 289.850 4.614 30 10 CJEE C=CCOc1cccc(NC(=O)[C@@H](CCC)CC(C)C)c1 1526624021 RYPHCKAKZCXZCN-HNNXBMFYSA-N 289.419 4.652 30 10 CJEE C=C[C@H](CC)CC(=O)NCC1(Cc2ccccc2)CCCC1 1527374067 SCXXDNJJYBCJOD-QGZVFWFLSA-N 299.458 4.508 30 10 CJEE C=CCC1(C(=O)NCc2ccc(C)c3ccccc23)CCC1 1529059505 XLOFQIWBCUUEMA-UHFFFAOYSA-N 293.410 4.511 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C 1533810820 IHNFSLJAFQEWHK-KWWMIRDASA-N 291.479 4.866 30 10 CJEE C=CCCCCCCCCNC(=O)C1CCC2(CC1)CC2 1534822518 KZKTUFIQBWUVKJ-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 1539121195 BFWOLIVLLUFHIZ-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=CC[C@H](C(=O)NCC1(CC=C)CCCC1)c1ccccc1 1544642817 QUWJXDBWMYVORX-SFHVURJKSA-N 297.442 4.599 30 10 CJEE C=C[C@@H](CC(=O)N1CCCC1(CC)CC)c1ccccc1 1583801038 OAFSSOQWNFRHOE-INIZCTEOSA-N 285.431 4.528 30 10 CJEE C=CCCCC(=O)Oc1cccc(OCc2ccccc2)c1 1585575689 UMXPLFCYOKQWLN-UHFFFAOYSA-N 296.366 4.527 30 10 CJEE CCCCCC/C=C/C=C/[C@H](O)CCCCCCC(=O)O 1616149803 NTYHQKJCCYNCMG-CFLJOMHASA-N 296.451 4.855 30 10 CJEE CCCCCCCCCN1CCC(CSC)CC1 1620635654 UNSHDOUUXYTLKH-UHFFFAOYSA-N 271.514 4.812 30 10 CJEE CCCCCCCN1CCC[C@H](C2CCCC2)C1 1620671478 NEFUGHKBXQTKPI-KRWDZBQOSA-N 251.458 4.859 30 10 CJEE C=C1CCC(C(=O)O[C@H]2CCc3c(Cl)cccc32)CC1 1623731298 YBKKNOXBECHJNX-INIZCTEOSA-N 290.790 4.617 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CCC)CC2CCCC2)C1 1628820382 LGHHUPOCMMXWKA-ROUUACIJSA-N 291.479 4.798 30 10 CJEE C=C(C)CCSc1cc(CC)c(OC)cc1C 1641336109 OWRDTDBGIQLZMS-UHFFFAOYSA-N 250.407 4.624 30 10 CJEE C=CC[C@H](C)Sc1nccn1-c1ccc(Cl)cc1 1643464450 JPJMDIDNSIYMNV-NSHDSACASA-N 278.808 4.582 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc(-c3ccsc3)cc2)C1 1643960596 JPUZKUQJCMQBLF-OAHLLOKOSA-N 283.440 4.813 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cnn(C(CC)CC)c2CC)C1 1652352962 XTXYPCWUEVLETI-CABCVRRESA-N 289.467 4.963 30 10 CJEE C#Cc1ccc(NC2CCC(C(C)C)CC2)c(Cl)c1 1653184206 GTQLEOSQQIBISJ-UHFFFAOYSA-N 275.823 4.948 30 10 CJEE C=CC[C@H](C)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1654184181 RUBWYEBPLMOVLE-BJJXKVORSA-N 297.364 4.896 30 10 CJEE C=CCCCN(CC)[C@H](C)c1ccccc1Br 1655014368 JSGOSSYBHNZMTE-CYBMUJFWSA-N 296.252 4.798 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc(Cl)cc1Cl 1656377543 XHMGPDJLWTVDRF-AWEZNQCLSA-N 284.230 4.924 30 10 CJEE C=C1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 1658935870 CYLCOVONEVBAEI-UHFFFAOYSA-N 297.364 4.680 30 10 CJEE C=CCN(Cc1cc2c(C)cccc2[nH]1)Cc1cccs1 1659302585 WMSAWCDICHILRF-UHFFFAOYSA-N 296.439 4.726 30 10 CJEE C=CCC[C@H](C)Nc1ccc2nc(CC)sc2c1 1659528509 XQFXEVSXYBUHKH-NSHDSACASA-N 260.406 4.625 30 10 CJEE C=CCCCCN[C@@H](C)Cc1ccccc1SCC 1659528741 WKGMKJKXVYXOQB-HNNXBMFYSA-N 277.477 4.676 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc3sc(C)nc3c2)C1 1665724193 XAOVQPLUQXRTBV-STQMWFEESA-N 272.417 4.761 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1879417331 UCWRGIKLXHXAIK-TXTZMMAHSA-N 263.469 4.891 30 10 CJEE CC#CCCC[C@@H](NCCC)C1CC2(CCCC2)C1 1879640544 HZDYRJJYGAYKLW-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=C(c1ccccc1)[C@@H](CCCC(C)C)NCCC 1888700359 FKKIBTKAULJGGO-GOSISDBHSA-N 259.437 4.894 30 10 CJEE C=C(c1ccccc1)[C@]1(N)CCC[C@@H](CC(C)C)C1 1888712448 STWKEGWAQTZZSX-WMZOPIPTSA-N 257.421 4.634 30 10 CJEE N#Cc1cc(Cl)ccc1OC[C@H]1CC12CCCCC2 1897165105 AMFSIBVLGNNJEF-CYBMUJFWSA-N 275.779 4.561 30 10 CJEE CCCCCCC[C@@H]1NCCC[C@@H]1[C@H](F)C(F)(F)F 1909084698 ANVCCYRNDPXRPU-AVGNSLFASA-N 283.353 4.616 30 10 CJEE CC[C@@H]1CCCC[C@H]1N=C1N[C@@H](C2CCCCC2)CS1 1912100063 HRWGIZFYLIAVES-FVQBIDKESA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccnc(C(F)F)c1 1918445326 XUPZGWWTQBXDFB-YPMHNXCESA-N 266.335 4.566 30 10 CJEE C#C[C@H](C)[C@@H](CCCCCCCCC)NCCC 1925431937 YIAIJHDGMHKZPD-DLBZAZTESA-N 251.458 4.765 30 10 CJEE N#C[C@@]1(C[C@@H]2C=CCCCC2)CCCc2ccccc21 1925763779 ROMRAIZVSKGSFL-APWZRJJASA-N 265.400 4.921 30 10 CJEE C=C(C)CC[C@@H](O)c1cc(Br)c(Cl)s1 1956957284 MDKKQPGORBIAOB-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE N#C[C@]1(CCCOCc2ccccc2)CCCCC12CC2 1957120134 UCTPXHGOCHTLIX-LJQANCHMSA-N 283.415 4.848 30 10 CJEE CCC[C@@](C)(C#N)Cc1ccc(C)c(Br)c1 1978655144 PKTIIIHGLMERMV-CQSZACIVSA-N 280.209 4.630 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1cc2sc(C)cc2s1 1996462763 FHTJSCGTJQSMQD-OTYXRUKQSA-N 266.431 4.907 30 10 CJEE CCCCCCCC[C@@]1(CN)CCS[C@H](C)C1 1997353125 JEVLPOHGGFDKED-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE CCC#CC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2005835998 NAUJSNLYQZTTQZ-NSHDSACASA-N 290.259 4.899 30 10 CJEE C=C[C@H](C)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 2014911086 IEKXKBMJMQXHHH-IUCAKERBSA-N 276.182 4.605 30 10 CJEE CC#CCCCCOc1cc(C)c(Cl)cc1C 2019540222 CROKEKSPJXFKHL-UHFFFAOYSA-N 250.769 4.529 30 10 CJEE C=C(C)CCCNc1cc(C(F)(F)F)cc(Cl)n1 2027884168 ZHWOOZCIZMBVOJ-UHFFFAOYSA-N 278.705 4.522 30 10 CJEE CCCCCCCNCC12CCC(CC1)C2(C)C 2033444930 SFAGWXRWRDWYDC-UHFFFAOYSA-N 251.458 4.763 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1cccc(SC(F)(F)F)c1 2037127552 AIACHRVBHIWPRO-JOYOIKCWSA-N 275.339 4.511 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCC(F)(F)CC1 2038286061 REWRXBFDSPAARE-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE C=C[C@@H](C)[C@@]1(CNCCC)CCCC(C)(C)CC1 2039384073 JIZYUSFDIPXIMH-WBVHZDCISA-N 251.458 4.785 30 10 CJEE C=CCC[C@H](C)[C@H]1CCCCC[C@@H]1CNCCC 2040534356 RKOUKMIYYWLTOZ-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=C(C(C)(C)C)[C@](N)(CC)C1CCC(C)(C)CC1 2040649451 BGQKVLAVZAFSJZ-QGZVFWFLSA-N 251.458 4.913 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC1CC(C(C)(C)C)C1 2043038220 XXRGRWCCHMAWIC-ARAOSMHQSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)C[C@@H]2C[C@@H]2C1 2045499941 XAOYRACXQVBOFK-BJWYYQGGSA-N 251.458 4.761 30 10 CJEE CCCC[C@@](C)(C#N)C[C@@H]1Cc2ccccc2S1 2046000612 QYFBUXIPXBUDRD-GOEBONIOSA-N 259.418 4.814 30 10 CJEE C=CCC[C@@H](C[C@@H](C(F)F)C(C)(C)C)NCCC 2048770542 GYHVICPDBMFARN-STQMWFEESA-N 261.400 4.638 30 10 CJEE CCCCCCCOc1cc(Cl)c(C#N)cc1F 2057256278 MHGFYMSSSMELFK-UHFFFAOYSA-N 269.747 4.700 30 10 CJEE C=CCCCCNCC1CC(C)(C)CC(C)(C)C1 2059111753 NNIXJUHRGXJRKS-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C#Cc1cc(C2CCCC2)nn1Cc1ccc(Cl)c(C)c1 2070174953 KJNWUIAPCNYJNW-UHFFFAOYSA-N 298.817 4.532 30 10 CJEE C#CC(C)(C)CNC(CCCCC)CCCCC 2072937381 NBWQNFNKWSSYPU-UHFFFAOYSA-N 251.458 4.765 30 10 CJEE CCCCCCCCCN1CCCCCCC1=O 2074942364 LHIDVAFYSMVVKE-UHFFFAOYSA-N 253.430 4.530 30 10 CJEE CCCCCCCCCCN(C)CC1[C@@H]2CC[C@@H]12 2075042705 KGNUDYMQHGGWGP-HZPDHXFCSA-N 251.458 4.715 30 10 CJEE C#CC[C@@H](C)C[C@H](CCCCCCCC)NCC 2076088022 LVPHBAKEZYNFRY-SJORKVTESA-N 251.458 4.765 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccc(Cl)c(Cl)c1 2076573723 OZDGPFVGTDUKLW-HNNXBMFYSA-N 278.182 4.707 30 10 CJEE CCCCCCCCNc1cccc(F)c1OC 2077013458 UIQXKFKFFFRCCI-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE C=CCCCCCCNC[C@H]1CCC[C@@H]1C(C)C 2085851793 KZPUJLMWMOORNM-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CC1(F)F 2086278631 KUUXXTLRAKXZDO-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CSC[C@@H]1C 2086283616 YKUYTDPBCQGTRD-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE CCc1ccc(CS[C@@H]2C[C@H](CC)CC[C@@H]2C#N)o1 2089393788 NJVKRZOTSSLPQI-XJKCOSOUSA-N 277.433 4.794 30 10 CJEE CC(C)NC[C@@]1(CC#CC(C)(C)C)CCCC1(C)C 2093014635 QJZACZVRMXRANO-GOSISDBHSA-N 263.469 4.621 30 10 CJEE FC(F)(F)C1CCC(CC[C@@H]2CCC[C@@H]3O[C@H]23)CC1 2096793480 ODILUOFRURFHPE-YCKYNJIMSA-N 276.342 4.703 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C(C)(C)C1(F)F 2097339518 LIFONINBGJMXGS-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCC(C)(C)CC1 2100881866 WNEJRDMEYVDETD-GJZGRUSLSA-N 264.457 4.511 30 10 CJEE C=C1CCC(N[C@@H](C)c2ccc(C(F)(F)F)s2)CC1 2101213533 XDFWAUSWLOGNQR-JTQLQIEISA-N 289.366 4.916 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(F)c2ccccc12 2102099055 ZBOHGOUBONDWKT-PXAZEXFGSA-N 258.336 4.615 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(F)c(F)c1 2102106585 SEOVUTDFMFQEIH-BLLLJJGKSA-N 267.363 4.608 30 10 CJEE CC[C@@H]1CCC[C@H](CNCC(C)(C)CCC#N)CC1 2103068445 NVOZVHHLSTZZNI-CVEARBPZSA-N 264.457 4.512 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)COC(C)(C)C1 2103154901 LIMXQLPCKVFRPO-KRWDZBQOSA-N 269.473 4.530 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H]2CC(F)(F)C[C@H]2C1 2103961235 IRKLTLIQCAVQFD-QDMKHBRRSA-N 271.395 4.536 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc([C@H]2C[C@H]2C)o1 2107944438 BTQQKXMMCKQDHT-ILXRZTDVSA-N 261.409 4.800 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(C(C)C)[nH]n1 2107989385 BWTBKRYEULJKSA-CQSZACIVSA-N 265.445 4.544 30 10 CJEE CCCC[C@](C#N)(CC)[C@](O)(CC)C1CCCCC1 2108210784 IMHHVRLKJJCKNE-IRXDYDNUSA-N 265.441 4.818 30 10 CJEE C=C(COC(C)C)[C@H](N)CCCCCCCCCC 2108230303 IOVTYBAQSFWFIJ-QGZVFWFLSA-N 269.473 4.826 30 10 CJEE O=CC1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCC1 2109782502 LZEDABNJTLDMJG-MCIONIFRSA-N 270.363 4.597 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2C[C@H]2C(C)(C)C)CCC1 2111710438 FUMJBHRXSMEJFC-OAGGEKHMSA-N 263.469 4.783 30 10 CJEE CCC1CCC([C@@H](C#N)Nc2ccccc2C)CC1 2112043522 MUJQKCPCYJJFDC-VMBOVVBDSA-N 256.393 4.516 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(F)c(F)cc1Cl 2112341792 GPPJZDHAKCBKNP-BONVTDFDSA-N 287.781 4.871 30 10 CJEE CN(C1CCCCCCCC1)[C@@H]1CCCC[C@H]1C#N 2112571655 SUICSWIEWJPCRC-DOTOQJQBSA-N 262.441 4.504 30 10 CJEE C=C(CC)C[C@@H]1CCc2ccccc2[C@H]1NCCC 2114581651 YPFWOHGMLOYDLO-WMZOPIPTSA-N 257.421 4.646 30 10 CJEE CC[C@H]1SC(=NCC2(C)CCCCCCC2)N[C@@H]1C 2116017722 GYASZEXSXNSXOD-ZIAGYGMSSA-N 282.497 4.597 30 10 CJEE CC#CCC[C@]1(CNC(C)C)CCCCC12CCC2 2116984876 SYLGNRFPSDZCKW-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCC#CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2117453975 DZQKWNXIOCWVFU-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE O=C[C@]1(CC2CC(=C3CCC3)C2)CCCCC12CC2 2125726353 DUGUNKJKFHMDPY-GOSISDBHSA-N 258.405 4.807 30 10 CJEE C=C(F)C[C@H](NCCC)c1ccccc1CC(C)C 2126109665 JQUFCRXHVGGTBN-KRWDZBQOSA-N 263.400 4.799 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2)C1 2126415783 TUUFQSRGDYNPIW-DOMZBBRYSA-N 298.213 4.635 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCC)CC(C)(C)C1 2127182151 NSWAAJVILXDDMU-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CC[C@@](C=O)(C[C@@H]1CCC2(CCCCC2)O1)C(C)C 2127923356 PNMKRRUINJBLMR-HOTGVXAUSA-N 266.425 4.510 30 10 CJEE N#C[C@]1(CC2CC(C3CCC3)C2)CCCC(F)(F)C1 2128441676 HGTPWARTHKFTHR-ZALBZXLWSA-N 267.363 4.922 30 10 CJEE C=CC(C)(C)CCNC(C1CCCC1)C1CCCC1 2129330628 OWVNOROFSZOUMO-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)C[C@H](C)C(C)(C)C 2130936126 WGVMLNZMDXJVJZ-HOTGVXAUSA-N 281.560 4.698 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@@H](C)COC 2131000454 FPYBTLKYQCCKNS-SJORKVTESA-N 272.473 4.941 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2134388744 IBOFVSKKZIVTLP-PCCRXHMLSA-N 263.469 4.617 30 10 CJEE CCCCCC#CC[C@H](O)[C@H]1CCCCCC1(F)F 2138911895 IBFIBHJWGWWQKH-CABCVRRESA-N 272.379 4.537 30 10 CJEE CCCCC#CC[C@@H](NC)C1(C)CCC2(CC2)CC1 2138959123 ONQNAIYUICDLJG-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@@H](Cc1ccc(Cl)cc1Cl)NC 2138960066 YGBFPQBNJGGYFB-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE Cc1ccc(C#N)c(NCc2cc3sccc3s2)c1 2140593070 FLVQKRUNZURWOA-UHFFFAOYSA-N 284.409 4.755 30 10 CJEE CCC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2cccs2)s1 2140967351 LCQIXWOBIKOVEA-GJZGRUSLSA-N 291.441 4.840 30 10 CJEE C=CCCCCCCOc1ccc(C)cc1[C@H](C)N 2141915257 ZUPXYWSHWBBBCG-HNNXBMFYSA-N 261.409 4.530 30 10 CJEE C=CCCCCCC[C@@]1(C=O)CCc2ccccc21 2141920973 HPLRYNGCNZELNL-SFHVURJKSA-N 256.389 4.596 30 10 CJEE C=CCCCCCC[C@@](C)(O)Cc1ccc(F)cc1 2141999251 LXCWZBLDUUPSBG-QGZVFWFLSA-N 264.384 4.646 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1C[C@H]1C1CC1 2142395535 WBPGFLHXSMXQRK-ROUUACIJSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCCCCNCC1C[C@@H]2C[C@H]2C1 2142403370 ANEMBVKOZRJMOK-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCC[C@H](CC1CC(C)C1)NN 2142440221 GATOWPSYTJHEBQ-OFLPRAFFSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@@H](C)CCN 2142449449 AILALMQKBHHJTR-INIZCTEOSA-N 267.457 4.627 30 10 CJEE C=CCCCCCCCCNc1cnn(C2CC2)c1 2142452592 JFXCKCAGRSCTLE-UHFFFAOYSA-N 261.413 4.547 30 10 CJEE CCCCCSC[C@](C#N)(C[C@@H](C)CC)NC(C)C 2142574800 CGTSHFRMBPCHHB-JKSUJKDBSA-N 284.513 4.606 30 10 CJEE CCCc1ccccc1CC1(C=O)CCC(C)(C)CC1 2144500302 UXOKVNMIKOJXFQ-UHFFFAOYSA-N 272.432 4.967 30 10 CJEE C#CCCN(CC(C)(C)CC(F)(F)F)C1CCCCC1 2145624118 IHGMCIRRQRZSKA-UHFFFAOYSA-N 289.385 4.623 30 10 CJEE CCCCCCCC(=O)[C@@H](O)c1csc2ccccc12 2147030262 UNCMJQDBNLPLKI-KRWDZBQOSA-N 290.428 4.864 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]1(O)CCCC1(C)C 2148584768 YNSKXMNIGKSIIX-WMZOPIPTSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](O)(CC)C1CCC1 2148585622 DPJFCJUONIKCDT-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 2148585933 GIKMDHCMTAAFLK-MHORFTMASA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(O)CCC[C@H](C)CC1 2148589132 ISSJJVBTOIJSEH-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1ccc(C)cc1Cl 2148592251 RVMVUHLYZILUHR-DLBZAZTESA-N 297.870 4.760 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](O)C(C)(C)CC 2148618864 MFCXFSFCNBCQRG-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCNC[C@]1(CC#CC2CCCCC2)CCCC[C@H]1C 2149859241 VVPLYCCQBDRLSV-IEBWSBKVSA-N 275.480 4.766 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@H]1CCC[C@@H](C)C1 2149871037 QDXUSCGFRUGUOS-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1F 2151930226 JQQAJZAKJAUHHS-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=C(Cl)C[C@](C)(N)C(c1ccccc1)c1ccccc1 2154692654 SRRIAIIZLKIISG-SFHVURJKSA-N 285.818 4.679 30 10 CJEE N[C@H](CC#CC1CCCCC1)c1cccc(C(F)F)c1 2154707819 AIUKVXRSYGQYPG-MRXNPFEDSA-N 277.358 4.598 30 10 CJEE CCC[C@](O)(C[C@@]1(C#N)CCC[C@@H](CC)C1)C(F)(F)F 2155592941 IWEJDLYGEVWXRH-MCIONIFRSA-N 291.357 4.580 30 10 CJEE N[C@H](CC#CC1CCCCC1)[C@@H]1CCCC(F)(F)CC1 2155810840 OMEVVGROQWZIDI-HZPDHXFCSA-N 283.406 4.503 30 10 CJEE C=CCCCCC[C@@]1(CNCCC)C[C@H](OC)C1(C)C 2156653752 BYIHXBBBMAVLSX-WMZOPIPTSA-N 281.484 4.554 30 10 CJEE C[C@@H]1CCCCC[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2157109049 YZKREZOJUJZURU-KBAYOESNSA-N 277.452 4.818 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2)CC1 2157118616 ATDLBCXIGLRRAR-RDJZCZTQSA-N 291.822 4.874 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1F)C1(C)CCCCC1 2157544509 NQXOMGCUUPWWQM-LLVKDONJSA-N 278.346 4.607 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](C)(O)CCC1CC1 2158040702 ZFLAHEIIULUKRZ-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccccc1OC(F)F 2158320347 LBBNXQATXDRHPN-WFASDCNBSA-N 283.362 4.541 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1cccc(C(C)(C)C)c1 2158690181 VMTHABUYZIIKEJ-SJLPKXTDSA-N 271.448 4.991 30 10 CJEE C[C@@H]1CC[C@@H](CCC2(C=O)CCC(C(C)(C)C)CC2)O1 2161120280 WBWWQVPXHNCBCF-CTMQZQKCSA-N 280.452 4.756 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)CCOC(C)(C)C1 2161617106 ZLQWNTRLUMWXGA-GOSISDBHSA-N 281.484 4.696 30 10 CJEE C=CCOc1ccccc1[C@H](CCCCCC)NCC 2164131707 XXVDDECUQFVULE-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE C=C([C@H](NC)c1ccc(Cl)c2cccnc12)C(C)(C)C 2164144381 ZBCXZCXERNZAEG-HNNXBMFYSA-N 288.822 4.751 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(OC)c2ccccc12 2164252249 NHHPXQHRGAGCKQ-MRXNPFEDSA-N 289.806 4.642 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc2ccccc2o1 2164476625 AXNVQXUJDFCVFC-DLBZAZTESA-N 271.360 4.576 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(C2CC2)cc1 2164478086 RDARRNCORWLIFY-QZTJIDSGSA-N 271.404 4.708 30 10 CJEE C=C(COCCC)C[C@@H](NCCC)c1ccc(Cl)cc1 2169749702 NMCKERDOOQFTTA-QGZVFWFLSA-N 295.854 4.754 30 10 CJEE CC1(CNc2ccc(C#N)c(F)c2)CCCCCCC1 2172659089 DGKSJNVOKZEUDM-UHFFFAOYSA-N 274.383 4.860 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCCC12CC2 2173609626 TYYLSYAHSSSEAY-LJQANCHMSA-N 275.480 4.622 30 10 CJEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCCC23CC3)ccc1Cl 2173616142 RFMCSQCTTWHSPV-WBVHZDCISA-N 289.806 4.546 30 10 CJEE C[C@](O)(CC1CCCC1)[C@@]1(C#N)CCCCC12CCC2 2173617880 FGKDGFNNXZORLQ-WMZOPIPTSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCC[C@H](N)c1nccnc1C 2174457960 HUPFOHZWPVVFNT-INIZCTEOSA-N 277.456 4.706 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)C[C@@H](NCCC)C1 2175459641 PONQCJGTEVLETO-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CN(C)CC#CC1CCCCC1 2176483597 RYUICZOUFOPUBE-RBUKOAKNSA-N 275.480 4.574 30 10 CJEE CCCCCCCO[C@H]1CC(=O)C12CCC(F)(F)CC2 2177603978 HZRVQLCAXBVCLG-AWEZNQCLSA-N 288.378 4.511 30 10 CJEE CCCCCCCCCC[C@H](N)C1C[C@@H]2CC[C@H](C1)O2 2181367144 HCFQSIFBWSAOKK-FBVQUNGASA-N 281.484 4.802 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 2181675801 HTFYBBIRSPLMGS-NFAWXSAZSA-N 272.388 4.968 30 10 CJEE CC[C@H](C)S[C@@H]1CC2(CCC2)C[C@@](C#N)(NC(C)C)C1 2183523446 MDIGYEJZJBDLGY-UXLLHSPISA-N 294.508 4.501 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(Cl)c(F)cc2C#N)cc1 2184459211 ZSVQVLPDOSUJGV-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC1(C)C[C@@H](CC2(C#N)CCC(F)(F)CC2)C(C)(C)O1 2184892846 JMAAXNJLOZLGCA-LBPRGKRZSA-N 285.378 4.689 30 10 CJEE CC[C@H](CCC(C)C)N(C)Cc1ccc(C#N)cc1Cl 2186011021 HYVWNKHBEGPBIV-MRXNPFEDSA-N 292.854 4.858 30 10 CJEE C[C@]1([C@H](N)CC#CC2CCCCC2)CCCC(F)(F)C1 2188660439 SUMIUPBZAFKAMP-CVEARBPZSA-N 283.406 4.503 30 10 CJEE CCCCCCCCC[C@H](NC)[C@](O)(CCC)C(F)F 2190010852 XKPUBOBSSRMUHX-GOEBONIOSA-N 293.442 4.511 30 10 CJEE CC1(C)CCC[C@](C)(Nc2c(F)cc(C#N)cc2F)C1 2192745906 TYOBSKHOGSNUME-INIZCTEOSA-N 278.346 4.607 30 10 CJEE CC#CCCC[C@H](O)c1ccc(-c2ccccc2F)s1 2194058549 HTRGFTLAZWGVKP-HNNXBMFYSA-N 288.387 4.781 30 10 CJEE CC#CCCC[C@H](NC)[C@@H](c1ccccc1)[C@H](C)CC 2194059873 RZMYBJNPOKJKLO-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE CCCCCCCCCN(C)[C@H]1COC2(CCCC2)C1 2195538546 DSMXPBZLNIQKNE-QGZVFWFLSA-N 281.484 4.771 30 10 CJEE C=C1CCC(C[C@]2(O)CCCCc3ccccc32)CC1 2196502538 CWORJPWUUBKGPY-LJQANCHMSA-N 270.416 4.737 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(F)ncc1F 2196579570 OLDUCEZKRKHERH-HNNXBMFYSA-N 284.394 4.761 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@]12CCC[C@@H]1C2)NCCC 2197155481 QGJNLTZCRZKVGX-CEXWTWQISA-N 269.432 4.648 30 10 CJEE CCC[C@@](C)(C=O)CN(CC(C)C)C1CCCCCC1 2197177643 YLIOISBRIGXHBY-GOSISDBHSA-N 281.484 4.673 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@H]1C[C@@H]1C1CCCCC1 2200498213 OYQBQJXTQZJGRQ-IAGOWNOFSA-N 276.468 4.607 30 10 CJEE CCCCCC#CC[C@@]1(CNC2CC2)CCC(F)(F)C1 2203807711 PIIMIQPVJCNMOH-MRXNPFEDSA-N 283.406 4.518 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1CCCC[C@@H]1C(F)(F)F 2203824439 UGZXCFSVHRHPKE-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=CCCCCCCOc1cc(C)c(CN)c(C)c1C 2206893388 ZNSPIWNJUKGFKO-UHFFFAOYSA-N 275.436 4.586 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@](O)(CC)CCCC 2206893670 CBJNCQGNZUNOQU-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=CCCCCCC[C@@H](O)C[C@@H]1OCc2ccccc21 2206903003 ONFONQMGKCNRBC-AEFFLSMTSA-N 274.404 4.536 30 10 CJEE C=CCCCCCCCCC(=O)[C@](O)(CC)CC1CC1 2207376289 IWVFZHCTXZPEGC-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCN1CC(C)(C)OC[C@@H]1CC 2207376693 GGJQDHYVLFEKRU-KRWDZBQOSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@](C)(O)CC(C)C 2207406014 ZIMTXUKSOPWQBG-ZWKOTPCHSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCCOC[C@@](C)(CN)CC=C 2207424523 GGDAWWYCEISBJN-GOSISDBHSA-N 281.484 4.851 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@]1(C)CCCO1 2207431381 DZXQEJPFSBMWAX-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@@H]1CCCO1)NC 2207431733 IHZAAZZJRFPPCQ-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1c(C)coc1C 2207432279 NNGUPFCARDGAEP-MRXNPFEDSA-N 278.440 4.708 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1NCC[C@H]1CC 2207437374 OBIOKEFSELHSPS-AEFFLSMTSA-N 279.468 4.641 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H](C)C(C)C)NCC 2207443494 APQXDNISVSOVRT-KURKYZTESA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC1(C)CCC1)NCC 2207447344 WRKMBDOUDUDQGI-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](C#N)Nc1ccccc1OC 2207466156 BBHPMENRGDYKJI-OAHLLOKOSA-N 274.408 4.750 30 10 CJEE CC1(C)C[C@]1(Cl)C[C@@]1(C#N)CCCC12CCC2 2216106626 DTUOICANJOZMLZ-CABCVRRESA-N 251.801 4.648 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@@H](C(C)C)S1 2217313711 MVWOXXLPFURNCH-GJZGRUSLSA-N 257.487 4.814 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@]1(C)C[C@H]1C 2220093724 RTXZURZJHNYCSS-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H](F)C1CCC1 2220869255 OUEFMIJZGACEMR-CVEARBPZSA-N 256.405 4.792 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)CCCC(F)(F)C(F)(F)F 2223716039 HZRWDQIIANXNKL-ZJUUUORDSA-N 269.257 4.684 30 10 CJEE C=CCCCCCCCCOCC[C@@H](C)NCCC 2225675903 KDAAPFHACLNTOJ-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCCCCCC[C@]1(CNCC)CCCC(C)(C)O1 2226888613 VNIHWQOOUXPEDJ-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCC[C@H](O)c1coc(C(F)F)n1 2227268116 MOEDKWKXDRHBQT-LBPRGKRZSA-N 273.323 4.562 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1C[C@H]1CF 2227275304 MCJCGIMEXCHZOC-ULQDDVLXSA-N 269.448 4.877 30 10 CJEE C=CCCCCCCCC(=O)CCC[C@@H](N)C(C)C 2227279704 JZJXIYVYACBECF-QGZVFWFLSA-N 267.457 4.626 30 10 CJEE C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)C1 2227502858 MCEZURCMWOWEBG-CKYFFXLPSA-N 296.197 4.606 30 10 CJEE CCCCC#CC[C@H](O)c1ccc(C2CCC2)cc1 2231704759 HQZIDBIPSMVQGT-SFHVURJKSA-N 256.389 4.571 30 10 CJEE C=C[C@](C)(CCCC(F)(F)C(F)(F)F)CNCCC 2231728489 CZMKPTNXPAPKOS-LLVKDONJSA-N 287.316 4.546 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(F)c(C)c1 2232032390 BRFZEGHVHXLRDI-CQSZACIVSA-N 263.400 4.777 30 10 CJEE COc1c(C2=CC(=O)CC(C)(C)C2)cccc1C(C)C 2233157591 RSPRCJQELKJNET-UHFFFAOYSA-N 272.388 4.591 30 10 CJEE C=CCCCCCCCCO[C@H]1[C@@H](O)C[C@H](C)C[C@H]1C 2234046830 DNRUYWIBBINGAK-ZJPYXAASSA-N 282.468 4.715 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H]1CNC(C)C 2234057516 NRAGCBPNYZYQFZ-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c(F)cc1Cl 2234748452 JFCBCUIDANJYIL-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=CCCCCCCC[C@H](NC)c1nccc(C)c1F 2235513675 LVUWFSOSXBHKSD-HNNXBMFYSA-N 278.415 4.706 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CC2(CCCC2)CO1 2235514323 SNDUEPKWXVSRCL-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccncc1C(F)F 2235520765 CLMKOSGUZJPJBZ-HNNXBMFYSA-N 282.378 4.936 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](C)O[C@@H]1C 2235527265 TVPZAJXRTMEFPB-TVFCKZIOSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cccc(F)c1Cl 2235540347 WIILRZWQWCGPHH-OAHLLOKOSA-N 298.833 4.900 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@]2(C#N)CCC[C@H](C)C2)c1 2237904846 MCXSHEIZHZTYMO-AFAVFJNCSA-N 291.822 4.576 30 10 CJEE CC(C)C[C@@H]1CSC(=N[C@@H]2CCC[C@H](C(C)(C)C)C2)N1 2238171496 UTMZKDPTQQVSRH-RRFJBIMHSA-N 296.524 4.698 30 10 CJEE C=CC1(CNC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 2238868007 QXPURHGOJQPQMS-FGTMMUONSA-N 275.480 4.929 30 10 CJEE CCCCCCCCCCCO[C@@H](CN)c1ccco1 2239487963 VSNRKLDGYIBGFN-KRWDZBQOSA-N 281.440 4.827 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@](C)(F)CC[C@H]1O 2239496980 DDKBFXBHBPUONY-ZACQAIPSSA-N 288.447 4.785 30 10 CJEE CCCCCCCCCCCOC1(C(=O)O)CCCC1 2239500196 OKTPQASGEFSYCE-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCCCCCO[C@](C)(CC1CC1)C(=O)O 2239504842 UIPNKGMQSUYORA-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCOCc1csc(C(=O)OC)c1 2239542981 NRZYJHRGCVFQHN-UHFFFAOYSA-N 298.448 4.802 30 10 CJEE CCCCCCCC[C@H](C)N(C)Cc1cccc(N)c1 2240571089 ADMUWJZTMNHPLL-INIZCTEOSA-N 276.468 4.840 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H](C(C)C)N(C)C 2240644770 NACBWZBEWOGCFJ-MSOLQXFVSA-N 284.532 4.691 30 10 CJEE C=CC1(Cc2cc(F)cc(Br)c2F)CCC1 2244998400 BSEHFMGWJWKBHN-UHFFFAOYSA-N 287.147 4.626 30 10 CJEE C=C[C@H](C)CCN(C)Cc1cc(Cl)ccc1Cl 2251016660 NZFHHESEVQBJSF-NSHDSACASA-N 272.219 4.637 30 10 CJEE C=CCCCCC(=O)c1ccc(C(F)(F)F)s1 2252689437 IFSZFYRMISYDHE-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@@H](CS)c2ccccc2)C1 2256660923 KKVIVAAHSIFVSH-IIAWOOMASA-N 280.502 4.869 30 10 CJEE C=CCCCCCCCSC[C@@H](C)CNC(C)C 2258999852 RXTFSXKEPXYZMW-INIZCTEOSA-N 271.514 4.880 30 10 CJEE C=CCCCCCCCSCc1csc(CN)c1 2259048375 GEKHHXHCUQUALK-UHFFFAOYSA-N 283.506 4.967 30 10 CJEE C=C(C)CCCC[C@@H]1CCC[C@H]1CNCC(C)C 2259231294 HRZFLEQQJQMDHD-SJORKVTESA-N 251.458 4.785 30 10 CJEE COC1CC(C#N)(CC[C@H](C)CCCC(C)C)C1 2259622039 RBZSZRIDXVBGSA-QQFBHYJXSA-N 251.414 4.548 30 10 CJEE C=C[C@@H](C)CCNc1c([N+](=O)[O-])ccc(Cl)c1Cl 2260405721 ZZYDGRSSLXROPA-MRVPVSSYSA-N 289.162 4.526 30 10 CJEE CCc1cc(Cl)ccc1NCC#CC1CCCC1 2261108031 ZPZBHHXYXXIIFY-UHFFFAOYSA-N 261.796 4.508 30 10 CJEE C=CCC[C@H](C)N(C)[C@H]1CC(C)(C)CCC1(C)C 2261446019 WWNZNEAFXNSUGH-GJZGRUSLSA-N 251.458 4.878 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@H](C)CC 2262642445 KDUQOMRIDDSTGQ-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE C=CCCCCCCCSCc1ccsc1CN 2263178272 GNTIPMYUNDEJJO-UHFFFAOYSA-N 283.506 4.967 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@](C)(F)C1 2263710156 BQJJXAZZQZIDOF-JYJNAYRXSA-N 257.437 4.996 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc2ccsc2c1 2263967193 YVEUTYHTAKDINU-SWLSCSKDSA-N 259.418 4.764 30 10 CJEE CC(C)(C)C#CC=CCC1(CO)CCC(C)(C)CC1 2268726395 PJXFMSXJWHULEQ-UHFFFAOYSA-N 262.437 4.561 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)CCC1CCCCC1 2268749380 ZNLYTVQCNHIDLV-QGZVFWFLSA-N 261.453 4.670 30 10 CJEE Cc1ccc(Cl)c(C(=O)CC=CC#CC(C)(C)C)c1 2268750878 QLTGEUKCVLYAAM-UHFFFAOYSA-N 274.791 4.827 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1cc(F)c(C)cc1F 2271779752 ZMZWATTXZKLTPU-INIZCTEOSA-N 268.347 4.617 30 10 CJEE C=C(C)CCCCNCc1cccc(C2CCC2)c1 2271786011 RZASKGCFFFZSTE-UHFFFAOYSA-N 257.421 4.790 30 10 CJEE CC(C)[C@@H](CS)CN(C)CC1CC(CC(C)(C)C)C1 2274297392 BHDBSCMFPDUFTQ-UYSNPLJNSA-N 285.541 4.583 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCc2ccc(F)cc2)C1 2277451432 QSBSDBSPWGYXFM-WMLDXEAASA-N 259.368 4.868 30 10 CJEE CN(CCCCCCCS)[C@@H]1CCCCC12CCC2 2277500841 KVDHROZGRQQAIV-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@H](C2CCC2)O1 2278128350 XMXKQCYPZOFQJL-SJORKVTESA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ncccc1F 2278175095 CNPKTZYHWKXTIR-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ncccc1F 2278179912 FFWXJXOHZFJTOX-INIZCTEOSA-N 266.404 4.535 30 10 CJEE CCCCCCCCC[C@@H](C)NCCOC(C)(C)C 2278236508 QUBTWUPFDCKVSJ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=C1CC(C#N)([C@@](C)(O)CCCCCCCCC)C1 2278248035 QAYNIEOPLBFEMC-INIZCTEOSA-N 263.425 4.738 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(CNC(C)(C)C)CC1(C)C 2284076560 MKZMLXUSKWRPLO-IBGZPJMESA-N 275.480 4.787 30 10 CJEE CCNC[C@@]1(CC=CC#CC(C)(C)C)CCCC1(C)C 2284083087 CGTYWEWGHDCEPT-LJQANCHMSA-N 275.480 4.788 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)[C@H]1CCCC(C)(C)C1 2284087866 CNYILCUITQESQZ-LPHOPBHVSA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)C[C@@H]2CCCC[C@]2(C)C1 2284090415 DYIGPVGUTBQDBE-UHOSZYNNSA-N 273.464 4.670 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C1(CCC)CC1 2284103271 OQXBFXKMQDVIED-KRWDZBQOSA-N 275.480 4.931 30 10 CJEE C=CCCCOc1c([C@H](C)NCCC)ccc(Cl)c1F 2285057767 MKYYQVXITKFJAP-LBPRGKRZSA-N 299.817 4.885 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cccc(-c3ccccc3)c2)C1 2285317766 ORYOAIYUUJTBJX-AWEZNQCLSA-N 262.352 4.736 30 10 CJEE C=C(C)CN(CCCCCCCCCCCO)C(C)C 2286781253 UUSCJINDVREUAE-UHFFFAOYSA-N 283.500 4.776 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cc(C)ccc1C 2289773379 VMDQNQBVORVKQS-LJQANCHMSA-N 269.432 4.538 30 10 CJEE CCCCCCCC[C@]1(OCC(=O)O)CCC[C@H]1CC 2290601965 DJYMAJPPJMCJBG-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=CCCCC[C@@](CC)(CCCCC)OCCC(=O)O 2292415692 ZDVAYMVVEQLRLK-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@@](C)(OCC(=O)O)C1CCCCC1 2292718864 XQVLYUNLVYQLNF-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCN)CC(C)(C)CC[C@@H]1C 2294042056 NFZZHVALIYAMFG-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C#CC[C@@H](C)C[C@@](C)(CCCCCCC)OCCCN 2294047834 LIZCCEJPGTWWTB-QZTJIDSGSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@]1(OCCCN)C=CCC(C)(C)C1 2294353392 ALLJADOQWZZVDJ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](CC)(OCCCN)[C@H]1CC1(C)C 2294363098 ROJBHZMISZOWRH-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)[C@@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2294558099 ZXIYXUQCJMPWHS-XYJFISCASA-N 281.484 4.539 30 10 CJEE N#Cc1sccc1CNC1CCC2(CCCCC2)CC1 2294729479 MOMMRAMRIKLTHW-UHFFFAOYSA-N 288.460 4.602 30 10 CJEE CN(CCCCCCCS)CC1CC2(C1)CC21CCC1 2294774449 TXSWIYOEYFNZKQ-UHFFFAOYSA-N 295.536 4.769 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCC[C@@H](C)C1 2295521387 ATSFEQFKZODXTD-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@]1(C)O[C@]1(CC)C(=O)OCC 2295673913 LZWXITDYISYWGU-IAGOWNOFSA-N 284.440 4.628 30 10 CJEE C=C([C@H](N)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2302211213 XCUAIPXAXLNHIO-LBPRGKRZSA-N 276.182 4.735 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Br)cc1 2304050013 UOZOSOCPNXEIFH-AWEZNQCLSA-N 296.252 4.702 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSc1ccccc1F 2307088638 BZKNCMMUVPAGFW-AWEZNQCLSA-N 272.454 4.900 30 10 CJEE Cc1cccc(CSC[C@@H](CS)CC(C)C)c1 2308068244 JETICDKWMCUELT-OAHLLOKOSA-N 268.491 4.820 30 10 CJEE C=CCC(CC=C)SC[C@@H](O)c1ccc(Cl)cc1 2313523930 GCXJYGNNJUIYJB-OAHLLOKOSA-N 282.836 4.627 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(Cl)c(F)c1 2315352319 ZPEMFMGODFVJFT-RAIGVLPGSA-N 265.759 4.913 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(F)ccc1C(F)F 2316401567 RKHGXKINRNBTMK-VIFPVBQESA-N 256.267 4.548 30 10 CJEE C#CCCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2318361471 YUHVRJMRODSCJX-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE CCC(C=O)(CC)CCCCC(F)(F)C(F)(F)F 2319586309 BINJJAISWUIBHB-UHFFFAOYSA-N 274.273 4.750 30 10 CJEE N#C[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCC(F)(F)C1 2319740906 ZGFJBBIURRNLTB-HZSPNIEDSA-N 253.336 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)c(C)cc1F 2321105288 NZQRIGSRPMFJOY-HUUCEWRRSA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1cc(Cl)ccc1Cl 2321226667 YFXIYZUFOUSTQL-CABCVRRESA-N 287.230 4.889 30 10 CJEE C=C[C@@H](C1CC1)N(C)Cc1cc(F)c(Cl)cc1Cl 2325192083 CLQLADCXKIXFSQ-AWEZNQCLSA-N 288.193 4.529 30 10 CJEE CCCC#CCOc1ccc2ccccc2c1Cl 2327945670 SFVQGHNRSJOEAS-UHFFFAOYSA-N 258.748 4.676 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H](C)O1 2335076327 ZCHCFWYXFFONJA-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)O)c(C(F)(F)F)c1 2335096078 JGVQSJHDKQJYHK-ZJUUUORDSA-N 290.350 4.815 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1cc(C)cc(Cl)c1 2335103939 STUPKHQTZAUCKU-XJKSGUPXSA-N 297.895 4.997 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CC)C[C@@H](NCC)C1 2335188320 QBRXXSKUTQJONT-BFYDXBDKSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Sc1ccccc1[C@H](CC)NC 2335230504 AERYJCSMGLPFPR-INIZCTEOSA-N 275.461 4.970 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)c(OC)c(Cl)c1 2337633988 GQTMSIGECAPCGG-HNNXBMFYSA-N 281.827 4.664 30 10 CJEE C=CCCCCC[C@](C)(CCCC(C)C)OCCN 2337648237 JASTZDIUFXYLID-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CC[C@@H]1CCCCN1C[C@H]1C[C@H]2CCC[C@H]1CC2 2338931450 AKJKKVCPEJRNRN-WNRNVDISSA-N 261.453 4.633 30 10 CJEE C=CC1(CC(=O)c2ccc(F)cc2C2CC2)CCC1 2339205892 DBZAQNPBGWGUHM-UHFFFAOYSA-N 258.336 4.632 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1cc(C)cc(Cl)c1 2339909987 BNKFGSKEOPOYSF-CYBMUJFWSA-N 269.775 4.803 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1cc(C)cc(Cl)c1 2339909988 BNKFGSKEOPOYSF-ZDUSSCGKSA-N 269.775 4.803 30 10 CJEE CCc1ccc(C#N)c(O[C@H](C)CCC=C(C)C)c1 2341800645 WFBCGOPXQYFBRN-CQSZACIVSA-N 257.377 4.634 30 10 CJEE C=C(C)CN(CCCCC(F)(F)C(F)(F)F)C(C)C 2342334595 HTLOVISTOXJFOX-UHFFFAOYSA-N 287.316 4.641 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCCC[C@H]1CC2)NCC 2344339098 GDSVYOCQGXUFOS-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)c(F)c1)NC 2344350141 ZEBCGMLXTAIERM-CVEARBPZSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1csc(C(C)(C)F)n1 2344352954 RDVHTULSLOUMTP-WFASDCNBSA-N 284.444 4.601 30 10 CJEE C=CCCS[C@](C)(C(=O)O)C1CCC(C(C)C)CC1 2351998528 VLWAXYKIEADZAY-XUJLQICISA-N 284.465 4.601 30 10 CJEE CC(C)C[C@H](CS)CN1CCCC12CCCCCC2 2353842251 ADDHCJWNZMMPTQ-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC[C@H]2C[C@@H]1CO2 2359117974 PBRHQUWVSUVPNW-MHORFTMASA-N 281.484 4.660 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2359314820 TYCZGEAEEXBLSO-YDZRNGNQSA-N 275.480 4.927 30 10 CJEE C=CCOc1ccc(CNc2ccccc2SCC)cc1 37779440 SWFKRCYGGGFAKO-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1 37936046 FJCBQOSQXCPPRP-CQSZACIVSA-N 277.154 4.670 30 10 CJEE CCc1ccc(OC)c([C@@H](C#N)Cc2cc(C)ccc2C)c1 57760084 ZATLVYOGLPRPQD-GOSISDBHSA-N 293.410 4.724 30 10 CJEE CCCCCCCNc1cccc(OC(F)F)c1 59436621 BOPYUEWBKMCNAZ-UHFFFAOYSA-N 257.324 4.670 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 62014248 GGGGLZLOZXAANO-YOKBYHGQSA-N 290.838 4.661 30 10 CJEE CC[C@H](C)Oc1ccccc1-c1cc(C#N)c(C)s1 77094348 CNNFGGPTLPIJRQ-NSHDSACASA-N 271.385 4.773 30 10 CJEE Cc1cc(OC(C)C)cc(C)c1C(=O)/C=C/c1ccco1 83193632 PIAIYJRPTMCXAG-BQYQJAHWSA-N 284.355 4.580 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C#N)CCOc2ccccc21 87997096 QPULXWSHJVYHSL-CRAIPNDOSA-N 271.404 4.837 30 10 CJEE Cc1cc(C)c(C)c(OC[C@@H](CS)c2ccccc2)c1 94584210 XHQWWUIQVLXUMM-KRWDZBQOSA-N 286.440 4.704 30 10 CJEE C[C@@H]1CCC[C@@H](C)N1CCCCCCCCCS 97799180 QOKGZANAVWNQFA-HZPDHXFCSA-N 271.514 4.910 30 10 CJEE CCCCCCCCO[C@@H](C)CCCNC(C)(C)C 103595532 RQVOEDVQJXSKEG-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCCN[C@H](C)Cn1cccn1 110165418 ZQRLQIIPKQPXBX-GOSISDBHSA-N 293.499 4.782 30 10 CJEE CCCCCCCCCCCC[C@]1(CNC)CCOC1 110213332 UHWCIUBUZJANQA-GOSISDBHSA-N 283.500 4.924 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cc(Cl)ccc1F 110254423 XQOBYAPICQPONT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCn1nc(C)c([C@@H](C)NCCC)c1C 110267814 SPDIACVCVUGAQT-OAHLLOKOSA-N 293.499 4.921 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@H]2CC[C@@H]1C2 111613909 PMTUTZLBRSRRLX-GVDBMIGSSA-N 251.458 4.763 30 10 CJEE CCCC[C@H](CC)Nc1cc(C#N)ccc1Cl 125684370 BVLDEMHORXDVFM-LBPRGKRZSA-N 250.773 4.592 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(Cl)cc1F 134226297 IIUCMCSLZWOPSW-CQSZACIVSA-N 271.807 4.709 30 10 CJEE Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(C#N)s2)c1 134908580 UVXWYJNACCJUAO-KBPBESRZSA-N 284.428 4.648 30 10 CJEE C=C(CN[C@H](C)c1ccc(CC)cc1)c1ccccc1 148021742 RLIVAVXHVPTSFE-MRXNPFEDSA-N 265.400 4.613 30 10 CJEE CCCCCCCCC[C@H](NC)c1cscn1 158554278 ORQYZFIDQAJQFU-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCNCc1ccc(Cl)c(F)c1 160781548 AMOMZFSIEZHLMP-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE N#Cc1ccc(CNc2c(Cl)cccc2Cl)s1 161127451 FKBDJUMUWXAURG-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCCOc1cc(NCCC)nc(CCC)n1 162562524 GBZYZPKHKMYXDD-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE CCCCCCC[C@H](O)[C@@]1(OCC)CCC[C@H](C)C1 162622147 AFYNMNTVYJVCGA-YESZJQIVSA-N 270.457 4.693 30 10 CJEE Cc1ccc(C)c(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164391979 OPPDAEHEYYQQRN-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(CC2CC2)C(C)C)C1 222801097 RDUQAZBZIQPSHP-KSZLIROESA-N 290.495 4.851 30 10 CJEE CCCC[C@@H](CCC)Nc1c(F)cc(C#N)cc1F 226030994 LEQGOHQEIRTPOX-GFCCVEGCSA-N 266.335 4.607 30 10 CJEE [N-]=[N+]=Nc1ccc(CCCCCCCC(=O)O)cc1 230828336 AMNNPTDFTJJXGN-UHFFFAOYSA-N 261.325 4.596 30 10 CJEE O=C(C1=CCCCCCC1)c1sccc1Br 232458315 WMJQQVGACASAKZ-UHFFFAOYSA-N 299.233 4.974 30 10 CJEE CCCCCCCCC[C@H](O)C1(CN)CCC(C)CC1 232930030 OKFIAUVWQGOCMG-ADKAHSJRSA-N 283.500 4.643 30 10 CJEE CCCCCCC[C@H](N)c1c(C)cc(C)cc1F 232960215 YQUJIQOUDRTNHL-HNNXBMFYSA-N 251.389 4.803 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)Cc1ccsc1 232961834 WLQOXSFHQBBROP-KRWDZBQOSA-N 296.524 4.648 30 10 CJEE CCCN[C@](C#N)(CC)CCCS[C@H]1CCC[C@@H](C)C1 233191886 UUCJXGYMRAWTAD-IXDOHACOSA-N 296.524 4.750 30 10 CJEE C=CCCCCC[C@@H]1CCCCC[C@@H]1CNCC 233516294 JUWIKSDGYNLHFT-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CC[C@@](C#N)(CCCSC1CCCCC1)NC(C)C 233979755 YPFDTTQLIFMNRL-INIZCTEOSA-N 282.497 4.503 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(F)c1Cl 234461206 RYOLQUXHBQQHIZ-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](O)(CC)c2ccccc2F)C1 252790172 YPMSNJVSAJENSO-JLSDUUJJSA-N 289.394 4.533 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 300255605 BJUNPBBNSQQUOX-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCC[C@H](N)[C@H]1CCC[C@H](C(F)(F)F)C1 300257024 KSRNZDDKDYTVJW-IHRRRGAJSA-N 277.374 4.819 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC)s1 310130436 HLGLJAKAZOLYCZ-GFCCVEGCSA-N 255.427 4.507 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCCC1(C)C 311320819 AFPQBVRKKHXBLX-HOTGVXAUSA-N 263.469 4.621 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CCC(C)CC1 311350239 VJUYGPRHHIOHRF-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC/C=C/c2ccccc2)C1 316752773 QWNUFSWBHZJIGF-BJHRGBFUSA-N 256.389 4.875 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)C1 316846692 NHVHTAPXBZZUQV-DFBDCSAJSA-N 278.436 4.510 30 10 CJEE CCC1CCC(C=O)(CCCCC2CCOCC2)CC1 317840276 HTVNGXQFUROHLX-UHFFFAOYSA-N 280.452 4.759 30 10 CJEE CCCCCCCC[C@@H](CC1CCC(C)CC1)NN 382357195 LHMHKEWLUAEMHD-JCYILVPMSA-N 268.489 4.785 30 10 CJEE C=C[C@H](C)Nc1ccc2ccccc2c1Br 396934283 QNHQKELLAHNQKP-JTQLQIEISA-N 276.177 4.589 30 10 CJEE CCCCCCCCNC[C@@H](C#N)C1CCCCC1 397168879 BYMRLLODHKENDC-QGZVFWFLSA-N 264.457 4.657 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@@H](C)c2ccc(C)cc2)no1 571444962 PGNPIEPNRSAEPX-KGLIPLIRSA-N 270.376 4.600 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=NN=Cc1ccccc1Cl)C2 606442669 OAWVIQMDJSBUFO-SUMWQHHRSA-N 288.822 4.961 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccco1 682803581 CXSMSWWGITYUEB-AWEZNQCLSA-N 297.398 4.874 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCC[C@H](C)C1 686681512 RHRHUSFXFZVLQU-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@H]1CCCC[C@@H]1CNC(C)(C)C 686693455 SSRZRAJBZQRBRW-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)(C)C)CCC[C@H]1C 686703246 XSICOEVGMPFDNQ-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(C)CCOC1 687419826 ZWGBBXNJRIYVNM-INIZCTEOSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCCNC[C@H]1CCN1C(C)(C)C 690403017 MKPLUKHZVHVCIS-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE C=CCC1(NCc2cccc3ccccc23)CCCC1 690706253 QJHRRXVBMUREOL-UHFFFAOYSA-N 265.400 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 692217617 AZTRUJQFMJQZOA-ZKKXSORASA-N 273.464 4.536 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C[C@@H]2[C@@H](C1)C2(F)F 693317852 BRYCKZYBMJSZNL-OAGGEKHMSA-N 285.422 4.782 30 10 CJEE N#Cc1c(F)cccc1NCc1cc2cscc2s1 693920710 WPTGHXSEHKQESH-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=CCC[C@@H](NCCC)c1cc2cscc2s1 694425000 JYRQYJLYSTXFAG-GFCCVEGCSA-N 265.447 4.970 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C)CC2CCCCC2)c1 694649480 SUQJIXRJSBBHED-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CCC(C)(C)CCOc1ccc(C#N)cc1C(F)(F)F 696718740 LKWBDUXJXOUASC-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CCCCCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 703761993 RKDMWPDVGABGHP-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@@H](CNc1cc(Cl)ccc1C#N)CC(C)(C)C 709250063 RSOSAXVUGJYSLE-LLVKDONJSA-N 264.800 4.696 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)[C@@H](N)C(C)C 712996772 NTAYGUJNTMISFK-INIZCTEOSA-N 269.473 4.706 30 10 CJEE CC#CCC[C@@H](NCCC)c1csc(C(F)(F)F)c1 718707651 FIASCCNHCDSBLG-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE CC(C)C(C)(C)CSC[C@H](C#N)c1ccccc1 718828024 UWWUDQNNDPKJFR-HNNXBMFYSA-N 261.434 4.709 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCCCCN1 722758019 VCWHXRHBZWOFMZ-QGZVFWFLSA-N 283.456 4.504 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2COCC[C@H]2C1 723629844 XDIRXUHDNIUSOK-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=C1CCC(CN[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 724440838 KSCYZOYEUNQFIS-LZLYRXPVSA-N 261.453 4.537 30 10 CJEE C=C1CCC(CNC2CC(c3ccccc3C)C2)CC1 724452031 URFDHVWPSDXDKY-UHFFFAOYSA-N 269.432 4.577 30 10 CJEE N#CCc1c(C(F)F)ccc2scc(C(F)(F)F)c12 725297651 TXMYBFGEGXMLBU-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CC(=NNc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 799493317 XKTUFFVEJGPHHV-UHFFFAOYSA-N 295.308 4.555 30 10 CJEE C=CCCCC(=O)N(CC(C)C)c1cccc(Cl)c1 1128902199 KMPMQNHLTSSFAZ-UHFFFAOYSA-N 279.811 4.685 30 10 CJEE C=C[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccccc1 1130934148 FKPYHPVNOPZTLK-LJQANCHMSA-N 288.346 4.924 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C(C)(C)C)s2)C1 1179519765 AHTSNKYXKUTWAC-KGLIPLIRSA-N 277.477 4.880 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 1199421790 ZNYZKSOWOURKLV-RDJZCZTQSA-N 281.399 4.781 30 10 CJEE C=CCC1(CNC2CCC3(CCC3)CC2)CCCC1 1202387021 BTLFICBVGQHPQU-UHFFFAOYSA-N 261.453 4.825 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)c2ccsc2)c1 1210299413 IZSTUCGOZNWQQY-LBPRGKRZSA-N 286.400 4.664 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1CC(OC)C1 1258228906 LEFWPOROFOCBKV-KLAILNCOSA-N 269.473 4.530 30 10 CJEE C=CCC[C@@H](NC(=O)CC(CC)CC)c1ccccc1 1266421327 MFEMYPWIQBQUDR-QGZVFWFLSA-N 273.420 4.636 30 10 CJEE C=CCCCCN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 1307499310 MDUKRDOIDWQCRJ-DOTOQJQBSA-N 275.436 4.971 30 10 CJEE C=C[C@@H]1CCCCN1CCc1cc(Cl)cc(Cl)c1 1307732004 JULNUYPBQPZHQC-OAHLLOKOSA-N 284.230 4.576 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc2cc(OC)ccc2o1 1308461724 FZYBNEBUZGJBJP-RDTXWAMCSA-N 299.414 4.666 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)c1cccc2ccccc12 1347716059 GSSCEONDIUSJKD-HUUCEWRRSA-N 281.399 4.619 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](C)CCC1CCCCC1 1360411821 RFACSOXIXPPYIB-HNNXBMFYSA-N 277.452 4.620 30 10 CJEE C=CCCCCCCCNC(=O)[C@@]1(C)CCc2ccccc21 1436598633 SEVLIKBYKZEABP-FQEVSTJZSA-N 299.458 4.533 30 10 CJEE C=C(C)CCC(=O)N(C1CCCC1)[C@@H](C)c1ccccc1 1459933839 JBVLKUDVOSEQFT-INIZCTEOSA-N 285.431 4.875 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](OCCCC)C1(C)C 1462427365 PKKKILPNBMUNEO-OWSLCNJRSA-N 293.495 4.695 30 10 CJEE C=CC(C)(C)CCCNC(=O)/C=C\c1cc(C)c(C)cc1C 1462600783 LERKWUVWHNWQAF-KTKRTIGZSA-N 299.458 4.734 30 10 CJEE C=C(C)c1cccc(NCCCc2ccc3c(c2)CCO3)c1 1462644346 JCSQEYOWAHWTOT-UHFFFAOYSA-N 293.410 4.699 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(C)c1Cl 1466939971 YBPTYPGMYDXHGZ-CYBMUJFWSA-N 292.810 4.529 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(-c2ccccc2)n1 1472830840 MKKBXGPUURGHRQ-RDJZCZTQSA-N 293.414 4.690 30 10 CJEE C=C(C)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1473336259 SSXSMYBBTYWRAC-HZPDHXFCSA-N 297.364 4.849 30 10 CJEE C=CCN(Cc1ccccc1F)C(=O)CCCCC(C)C 1517738794 DUSSWLKLYAPSLU-UHFFFAOYSA-N 291.410 4.557 30 10 CJEE C=CC[C@H](CC)NC(=O)[C@H](CCC)c1cccc(Cl)c1 1524475126 NWXUCQJHRBVCPL-JKSUJKDBSA-N 293.838 4.695 30 10 CJEE C=CCCCCCCCNC(=O)c1ccoc1C(C)C 1535057659 MSOJTHRAFKUSIJ-UHFFFAOYSA-N 277.408 4.659 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C 1538727251 IEXLMLRSDWSTEK-IMUIWTOTSA-N 289.463 4.572 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](C)c1c(C)cc(C)cc1C 1559819661 BLVAANDZUBWBSU-IBGZPJMESA-N 291.438 4.808 30 10 CJEE C#C[C@H](N[C@@H]1CC[C@H](CCC(C)C)C1)c1ccc(F)cc1 1560852658 LGNZEUKGNRFELM-IPELMVKDSA-N 287.422 4.695 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)c2ccccc2C)CCCC1 1586153819 JNIGEERAJVPTPF-QGZVFWFLSA-N 299.458 4.741 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@@H]1CCCC12CC2)c1ccccc1 1587719984 ABKKKOWZVFYHEX-QZTJIDSGSA-N 297.442 4.575 30 10 CJEE C=CCOc1ccc(CN(C[C@@H](C)CC)C(C)(C)C)cc1 1616215126 MLQNHQUJKNIQIO-INIZCTEOSA-N 289.463 4.898 30 10 CJEE C=CCC1(NCc2csc(C(C)(C)C)n2)CCCCC1 1620937387 OKGWFVNZXSOABT-UHFFFAOYSA-N 292.492 4.809 30 10 CJEE C=CC[C@@H]1N(C(=O)Nc2csc(C)c2)CCCC1(C)C 1626604407 KVJDOQJYQUIJOS-AWEZNQCLSA-N 292.448 4.655 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](CC)CCCCCC)cc1 1627495458 NKSMJECFPDAGGM-MRXNPFEDSA-N 271.404 4.603 30 10 CJEE C=C(C)CCNc1oc(-c2ccccc2)nc1C(F)(F)F 1642709685 ILZCPAHENJBTIN-UHFFFAOYSA-N 296.292 4.739 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cccc(SC(F)(F)F)c1 1644567379 RULIPGPLZZPPPE-WDEREUQCSA-N 289.366 4.914 30 10 CJEE C=CC[C@H](C)Sc1nc(C(C)C)nc2ccccc12 1652803829 APJODWYYYPWCPY-LBPRGKRZSA-N 272.417 4.810 30 10 CJEE C=CCCC1(CN[C@H]2CCc3ccccc3C2)CCCC1 1652815082 ZSPAEVKEMSBMAB-IBGZPJMESA-N 283.459 4.660 30 10 CJEE C=CCCN1CCCc2cc(-c3ccccc3)ccc21 1652815683 TVQNJTLVJBVVLU-UHFFFAOYSA-N 263.384 4.682 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2ccc3ccccc3c2)C1 1654001569 INALCQPTUUHFLP-DLBZAZTESA-N 277.411 4.636 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccsc1Cl 1654353007 HKPRGRSURPOQBD-UHFFFAOYSA-N 291.847 4.980 30 10 CJEE C=CCC1(NCc2cc(Cl)ccc2OC)CCCCC1 1654518346 KVVMEQCRSZEQIP-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=CCCCCCCCNc1ncnc2scc(C)c12 1655539774 CJEPGTRPVIPJEJ-UHFFFAOYSA-N 289.448 4.938 30 10 CJEE C=CCCC(C)(C)NCc1ccc(N2CCCCC2)cc1 1656693797 JBUGJCBRASTYIS-UHFFFAOYSA-N 286.463 4.511 30 10 CJEE C=CCC[C@H](C)N[C@H](CC1CCC1)c1ccccc1 1657549468 KGQBODMYQLKYLD-MAUKXSAKSA-N 257.421 4.862 30 10 CJEE C=CCCC(C)(C)NCc1cccc(Oc2ccccn2)c1 1657724399 USECNTJTNUFUFY-UHFFFAOYSA-N 296.414 4.708 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC[C@@H](C)c2ccccc2)C1 1657871346 JZWNJEOISFTMGO-JFIYKMOQSA-N 257.421 4.515 30 10 CJEE CCCCCCCCN1CCc2cc(C)ccc2C1 1659073498 TXRYQGFNJSQFDP-UHFFFAOYSA-N 259.437 4.714 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)CCCC(F)(F)F 1659683258 BXDDHDADMIMZEO-CHWSQXEVSA-N 265.363 4.832 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCN1C1CCCCCC1 1659859330 UELUWTKOHNKQLQ-HKUYNNGSSA-N 292.511 4.508 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CC(C)(C)C 1660014737 RLUAPHONHLIPPQ-RDJZCZTQSA-N 259.437 4.588 30 10 CJEE C=CC(C)(C)CCCNCc1c(C)cc(C)cc1C 1663203524 GOOFRLZNCGPSAC-UHFFFAOYSA-N 259.437 4.694 30 10 CJEE C=CCC[C@@H](CCC)N[C@@]1(C)CCCc2ccccc21 1664252452 NKGHHGYCTMOYAS-MJGOQNOKSA-N 271.448 4.963 30 10 CJEE C=CCCCCCCCNC(=O)NC1CC(C(C)(C)C)C1 1673145108 MTWGKHAELIEQSH-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CCN(CC=C)C(=O)[C@@H](c1ccc(C(C)C)cc1)C(C)C 1867940358 QNJIENCKQKRKMQ-LJQANCHMSA-N 299.458 4.750 30 10 CJEE CC#CCCCC[C@@]1(CNCC(C)C)CC=CCC1 1885235809 HFRXTHSCGGZQBP-GOSISDBHSA-N 261.453 4.542 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H](C)OCc1ccccc1 1885308210 JCCMFVZSAVANNW-IEBWSBKVSA-N 289.463 4.706 30 10 CJEE CC#CCCCCC(=O)c1ccc(CC(C)C)cc1 1885368285 QAAXJZZVFCPVJW-UHFFFAOYSA-N 256.389 4.652 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C=CCC(C)(C)[C@@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCC 2352838273 WROWJJHCFSZMPH-FRRDWIJNSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@@](C)(C(=O)O)N(C)[C@@H](C)CC(C)C 2353862930 LOGPEIASKPAPMU-RDJZCZTQSA-N 285.472 4.557 30 10 CJEE CO[C@@H]1C[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCCC2)C1(C)C 2357829233 JNEGUHHEFCLMMG-LISAXSMJSA-N 275.436 4.548 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1[C@H]2COCC[C@H]21 2358323245 HNTUIVPDFPBXQQ-RYRKJORJSA-N 278.436 4.535 30 10 CJEE C=CCC(CC=C)OC[C@@H](NCC)c1cccc(Cl)c1 2360220689 ZVNFJZCXLJALQE-QGZVFWFLSA-N 293.838 4.528 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)[C@H](C)CC1CCC1 2360323644 JQQAADDUIJRCKM-CRAIPNDOSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](CN)N1CCCCCC1(C)C 2360361931 BXAZIPACPPYXPR-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE Cc1ccc(C)c(SCCOc2ccc(CC#N)cc2)c1 37143665 COXXZDYYWKBONO-UHFFFAOYSA-N 297.423 4.541 30 10 CJEE Cc1cc(C)cc(OCC[C@@H](C#N)c2cccc(F)c2)c1 57688837 RGLLDFDLJCQMOR-INIZCTEOSA-N 283.346 4.519 30 10 CJEE N#CC[C@@H](c1ccccc1)N1CCC2(CCCCC2)CC1 61819933 BKZLJLLVVTUZNH-SFHVURJKSA-N 282.431 4.688 30 10 CJEE N#CC[C@@H]1CCCC[C@H]1c1ccccc1Br 62670606 MOKZOXUAFQHQKP-NWDGAFQWSA-N 278.193 4.637 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1cnc2ccsc2c1 68691868 CFRNSJLJAAUUTI-LBPRGKRZSA-N 293.395 4.650 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C(C)(C)C#N)cc1 69371867 PFFPHJCBBCYQGF-HNNXBMFYSA-N 258.409 4.868 30 10 CJEE CCCCCC[C@H](C)Nc1nc2ccccc2cc1C#N 71385861 FUCFHOSOFCAGSM-AWEZNQCLSA-N 281.403 4.877 30 10 CJEE C=C(C)C[C@@H](NCC)C1(c2ccccc2)CCCCC1 92129632 MHEBWBWCZYQRPO-GOSISDBHSA-N 271.448 4.833 30 10 CJEE C[C@@H](CCS)CCSc1ccc(C(F)(F)F)cn1 94589073 CVXCXAPITJLSAO-VIFPVBQESA-N 295.395 4.539 30 10 CJEE CCCN(CCCCCCCCCS)C1CC1 97799208 VHSKSRZHOABWHR-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE CC(C)(CNc1ccc(C#N)cc1Cl)c1ccccc1 110381714 DRUIDHOHTIRSAV-UHFFFAOYSA-N 284.790 4.601 30 10 CJEE CCCCCCCCOc1cc(OCC)c(F)cc1N 110635107 RVEQJUYUHJUAIS-UHFFFAOYSA-N 283.387 4.546 30 10 CJEE CCCCCCC[C@@H](NC)C(C)(C)c1ccccc1 112899456 WNKJNHLNCPQUOR-QGZVFWFLSA-N 261.453 4.913 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1C1CC1 114067347 WMFWEYMPDLPAME-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCN(CC)C1CCC(N)CC1 118254484 POBFYOMHKOYXKN-UHFFFAOYSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCCC[C@H](CCOCC)NN 122730117 HYXKDXUQAWNJGU-QGZVFWFLSA-N 286.504 4.556 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C[C@@H](C)N 125070801 QEFYWLPJONFNQB-CYBMUJFWSA-N 283.843 4.579 30 10 CJEE CCCCCCCCSc1cc(C(=O)O)ccc1F 126080592 BDSKLMGSJZCGMT-UHFFFAOYSA-N 284.396 4.977 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cc3ccccc3o2)c1 127760812 ZFRTUBJHVGPFFW-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE CCCCCCC[C@@H](NCCC)C1C[C@@H]2CC[C@H](C1)N2C 129786776 PQXWUWCCTAQYCQ-XVLXNVKGSA-N 294.527 4.588 30 10 CJEE CCCCCCCCC[C@H](NN)c1sccc1C 130017852 CSLFMRIGTMTUSL-AWEZNQCLSA-N 268.470 4.702 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc2c1OCC2 133413414 NRTDETFSBNZTSE-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccccc1Cl 135244529 YYKQJJXJOBZEAJ-JTQLQIEISA-N 274.726 4.524 30 10 CJEE FC(F)(F)/C(Cl)=N/c1ccccc1C(F)(F)F 139366266 SFRNPQRPCXSFPZ-IDUWFGFVSA-N 275.579 4.537 30 10 CJEE CCCCCCCC[C@H](CCc1cccnc1)NCC 140432572 DFYFHPIOYZKLTA-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCC[C@H](N)c1c(OC)cccc1OC 157826946 MWTRJCNTJIEKSW-HNNXBMFYSA-N 293.451 4.844 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](C)(CC)OCC 159870766 DWEUMSVSERXYFB-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCN[C@@H](C)CCSCC 160148023 SQASCAGKVXEJFS-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1N 164009587 ZVCLTLUFQUFXAJ-OLMNPRSZSA-N 275.436 4.549 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 164506501 DIRZFEBUQFQSAZ-WCQYABFASA-N 297.320 4.925 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(Cl)cc1)NCCC 164510295 HKHQSQQJSLITMW-INIZCTEOSA-N 265.828 4.607 30 10 CJEE CCCCCCCCNCc1cccc(Cl)c1F 166762592 TXFYPELOXFPVQF-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C 189891984 LWAAFIYYHTUEGD-UHFFFAOYSA-N 273.420 4.913 30 10 CJEE C[C@@H]1CCCN([C@](C)(C#N)Cc2ccc(C(C)(C)C)cc2)C1 212312038 ZTEVTAMKHDXJPW-UZLBHIALSA-N 298.474 4.541 30 10 CJEE Cc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1C 216686791 NIDWGZKUERYSCU-CLFYSBASSA-N 270.759 4.853 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(C(C)(C)C)cc1 220984901 XSCCBHOFEQUFRY-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE C=C[C@@H](C(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 222119049 QEHAHRCNEHIDOT-JKSUJKDBSA-N 289.419 4.711 30 10 CJEE Cc1cc(Oc2cccc(C#N)c2)cc(C)c1Cl 227634997 TYHVKSQBFNDUNK-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CC(C)Cc1ccc(-c2csc(C(C)(C)C#N)n2)cc1 231790866 LLDUXLFNQPIVKQ-UHFFFAOYSA-N 284.428 4.810 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(F)c1F 232936996 UZKBFDBFGSBUCT-OAHLLOKOSA-N 256.336 4.533 30 10 CJEE Cc1cc(C(=O)C2=CCCCCC2)nc2ccccc12 235836971 BHVYSKYWKKEGFC-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE Cc1ccc(NC2CC(C)(C)CC(C)(C)C2)c(C#N)c1 235882730 SGKINBWLJYQQPD-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE Cc1cccc(N[C@H]2CCc3cc(Cl)ccc32)c1C#N 236012766 RYPNIVDYGLHGPZ-KRWDZBQOSA-N 282.774 4.620 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(F)c1Cl 236550042 IZONXMGVGZKGPE-CYBMUJFWSA-N 256.748 4.649 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)CN(C)C 312465195 FVUCPBNSNLQYCD-GOSISDBHSA-N 284.532 4.695 30 10 CJEE CCCCCCCCCCCCNC[C@@](C)(O)C1CC1 312573961 VEUAVNKBGLNKDC-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@](C)(CNCC(C)C)O1 312676745 MOGMLWPZZQEXEZ-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CC(C2(C=O)CCCCCCC2)C[C@@H](C)C1 316812292 OJWOLSXUPOBBMD-GJZGRUSLSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(F)c2Cl)C1 316913457 VSSPLFJBVUMLBJ-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1ccc(Cl)cc1 319836597 LPRUZDMJMKGLTB-ZWNOBZJWSA-N 253.798 4.616 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cnc2ccccc2c1 380020203 TZUPXTGGBYCFPH-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1F 383937730 WZUUCTFZQNADEI-UHFFFAOYSA-N 280.343 4.591 30 10 CJEE CC[C@]1(C)CCSC(=Nc2cccc(C(F)F)c2)N1 386265713 XGQAVNFKLAMJCQ-CQSZACIVSA-N 284.375 4.507 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CCC)C(C)(C)C)C1 387315890 RIMKPECWHLYNQO-OWCLPIDISA-N 264.457 4.605 30 10 CJEE C#C[C@@H](N[C@@H](C)c1sc2ccccc2c1C)C(C)C 387602510 KZJQRQWRKXAQQG-DZGCQCFKSA-N 271.429 4.518 30 10 CJEE CCCCCCC[C@H](O)CCCCC1CCOCC1 388640372 KAEGQBOUSOLPMN-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1c(C)cc(C)cc1C 395503225 SJHDFWCBPPXMKB-GOSISDBHSA-N 273.464 4.592 30 10 CJEE CCSc1cccc(NCCC(C)(C)CC)c1C#N 686312614 FTTVVFILAVIYJL-UHFFFAOYSA-N 276.449 4.908 30 10 CJEE C#CCCCCC[C@@](C)(CNC(C)C)c1ccccc1 686702329 GHIBKHXXOZCYPK-IBGZPJMESA-N 271.448 4.526 30 10 CJEE C#CCCC1(CNCC(C)C)CC(C)(C)CC(C)(C)C1 688000385 CHDPNBVDCBFLGL-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE CCC[C@@H](C)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316007 PLPHAGNAGPPLMA-KGLIPLIRSA-N 265.441 4.530 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C(F)(F)F)C1 692236367 YQSHYLOZIBEOEN-BARDWOONSA-N 289.385 4.832 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C2CC2)nc(Cl)n1 692252654 ODTZBLYRPVQHAO-YPMHNXCESA-N 291.826 4.554 30 10 CJEE CCCCCCCC[C@H](NCC)C(F)(F)C(F)(F)F 692598461 QZZVRAYEHAWOTI-NSHDSACASA-N 289.332 4.913 30 10 CJEE CC(C)(CC(F)(F)F)C[C@](C)(C=O)c1ccccc1 694127938 PPLDZXIZRXEJEK-CQSZACIVSA-N 272.310 4.512 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cscc2s1 694421284 JMJLHCVYNIEJKO-LBPRGKRZSA-N 282.478 4.828 30 10 CJEE C=CCCCCCCNCc1ccsc1C(F)(F)F 704369005 WEZMDKCEZUDRIC-UHFFFAOYSA-N 291.382 4.993 30 10 CJEE CCCCCCCCCC[C@](C)(O)[C@H]1CCCCO1 705929721 JYLSNXGIOVBMPK-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=C(Cl)C[C@H](NCC)c1scc(C)c1Cl 710591956 QTOHXDVIIATNAL-VIFPVBQESA-N 264.221 4.503 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCc2ccccc2C1)C(C)(C)C 711133780 POSOZRLHRCEXOV-KSSFIOAISA-N 255.405 4.758 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCC2(C1)OCCO2 712822725 KDGNQJTZETXNKQ-QGZVFWFLSA-N 298.467 4.565 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714466963 RFGZKQKMWWDQOH-XDNAFOTISA-N 280.500 4.785 30 10 CJEE CCCCCCCC(=O)c1c(F)ccc(F)c1F 716391556 CZHKQQHLXVGGLZ-UHFFFAOYSA-N 258.283 4.647 30 10 CJEE CC(F)(F)CCC[C@@]1(C#N)CCCc2ccccc21 718636073 MBFVXVBSKXOIEM-MRXNPFEDSA-N 263.331 4.610 30 10 CJEE C=C1CCC(CNC2CC(C)(C)CC(C)(C)C2)CC1 724552857 DHIUCZCIEMHCCD-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CCc1c(C(F)(F)F)ccc2sc(CC#N)cc12 725302665 PVDCXYKGDTVNKL-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE Cc1cccc(C)c1C#Cc1ccc(CC(C)C)cc1 725412631 XUTRKQBJUVJASS-UHFFFAOYSA-N 262.396 4.902 30 10 CJEE C=CCC(CC=C)C(=O)N(c1ccc(Cl)cc1)C(C)C 1125147715 LNDIATQZLYEPEN-UHFFFAOYSA-N 291.822 4.850 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(-c2cccs2)c1 1125678506 DWRPFWOXPSAHRM-UHFFFAOYSA-N 271.385 4.710 30 10 CJEE C=CC[C@@H](C(=O)OCc1cc(C)ccc1F)c1ccccc1 1128936016 FQQJUFCRWUSBBQ-QGZVFWFLSA-N 298.357 4.537 30 10 CJEE C=CC1CCN([C@@H](C)c2cccc3ccccc23)CC1 1167402252 OGAWXJGYCANVGI-HNNXBMFYSA-N 265.400 4.799 30 10 CJEE C=CCCCCN1CC[C@H](c2ccccc2)[C@@H](CC)C1 1167602769 PQBQRNVUKJWGGR-HKUYNNGSSA-N 271.448 4.858 30 10 CJEE C=C(CC)CSc1nccn1-c1ccc(C)c(C)c1 1188376246 URFMOCMNQOTBRT-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE 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2284071124 OYSXZXXOMCNETM-UHFFFAOYSA-N 272.432 4.768 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)C[C@]1(C)COC 2284713715 UBKDVCPNHKWKHK-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE C=C(C)CCCC[C@H](NC)C1(O)CCCCCCCC1 2287387561 ICENXTVFNOMRKT-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ncc(F)cc1F 2287469657 IZKYRNWUHXLBDG-OAHLLOKOSA-N 282.378 4.537 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1CNC1CC1 2287470773 USGJVBWLXSZOLS-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccnc(C(C)(C)C)c1 2289316519 SDBHMLFBKNSBRV-GOEBONIOSA-N 274.452 4.632 30 10 CJEE C=CC[C@H](C)[C@@](C)(CCCCCCCC)OCC(=O)O 2290721027 WLVJMXCPGJPPMR-DOTOQJQBSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@](C)(CC1CCCC1)OCC(=O)O 2290858682 MMDBEPXGPNMSIA-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@](C)(CCC(F)F)OCCC(=O)O 2291928545 IBEFBQQKUOOSPK-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=CCCCCCCC[C@@](CC)(OCCCN)C1CC1 2292650532 SBLCDMWYLQOGLE-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](CC1[C@@H](C)[C@@H]1C)OCCN 2293169884 CPXLQVQBNNUNSF-YESZJQIVSA-N 283.500 4.763 30 10 CJEE C=CCCCC[C@](CC)(CC1CCCCC1)OCCN 2293293383 SURWMUVQOQNEGJ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@@]2(C)C[C@@H]21 2293465335 CAOLRHZIVVKHHU-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@](OCCN)(C(F)F)C1CC1 2293467378 UILIVGQHWOKGLI-MRXNPFEDSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@H](CC(C)(C)CC(F)F)OCCN 2293742483 MGXZHUPDSHJRCA-CQSZACIVSA-N 293.442 4.762 30 10 CJEE C=CCC[C@H](C)C1(OCCN)CCC(C(C)(C)C)CC1 2294244038 XMLVANZYXLVKDN-HJOIGYKYSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@H](OCCCN)c1sc(C)c(C)c1C 2294419986 PMTJWMXAEHBJIQ-INIZCTEOSA-N 295.492 4.826 30 10 CJEE CC(C)CC1([C@@H](O)C#Cc2ccccc2Cl)CCCC1 2295214298 LNNKNTGEPHGDJT-KRWDZBQOSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NCC)C(C)(C)C 2295677760 DNZDQOQSVGKRJS-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CC(C=Cc1ccccc1)=NOC(=O)c1ccccc1Cl 2297563715 RCYWWQPAOZXGFF-UHFFFAOYSA-N 299.757 4.586 30 10 CJEE CC[C@](C)(C=O)CCCc1cc(Cl)cc(Cl)c1 2302381146 SNLHELSWJOBMPI-AWEZNQCLSA-N 273.203 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(Cl)c1 2304035646 ODLHLHPBZALNSX-CABCVRRESA-N 251.801 4.593 30 10 CJEE CC1(C)CC[C@@H](CC[C@@]2(C#N)CCCSC2)C1 2304428377 MPDJFCISBVVYPJ-DZGCQCFKSA-N 251.439 4.630 30 10 CJEE C=CCCCC[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2310188987 RPOWOYJBDFJWOH-QAETUUGQSA-N 250.426 4.700 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1C[C@@H]2CC[C@H]1C2 2312954139 METQABJBXZXELA-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE C=CCC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2318626858 QREYTVWEHUERQL-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(F)c1Cl 2321129710 CYJHTQXIPMAFKH-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE CC#CCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2325186075 ISSGWXLRSMRWSN-CQSZACIVSA-N 288.193 4.716 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cccc(SC(C)C)c1 2327778442 PNRRWCZPWULVDP-XJKSGUPXSA-N 263.450 4.660 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1C[C@H]1C(F)(F)F 2331576898 UEOHWFKIPIWUOU-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@@H](C)CCCCCCCCC)C1 2335075485 CFIYCTPEMSAQPD-OKZBNKHCSA-N 263.469 4.907 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@H]1CC1(C)C 2335097609 AFGVVEZQEFRFOJ-CVEARBPZSA-N 281.509 4.655 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C[C@H]2CCC2(F)F)CC1 2335423907 LENAXIXFNZGONW-QWHCGFSZSA-N 270.363 4.764 30 10 CJEE CCCCCCCC[C@@](C)(N)C#CC1(SC)CCC1 2336178743 BAXIMQNUGMKMAZ-MRXNPFEDSA-N 281.509 4.744 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H](CC)CC(F)(F)F 2338732818 MJAKUAFTFKZNGI-TZMCWYRMSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@H](OCCCN)c1ccsc1Cl 2338858167 ORGWGLWPDLLAEQ-AWEZNQCLSA-N 299.867 4.576 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2ncoc2c1 2340390069 GTLWJZKDEGVRRW-CYBMUJFWSA-N 260.381 4.989 30 10 CJEE C=C(C)C[C@H](NCCC)C1CC(c2ccccc2)C1 2341920986 ARDMLFHMDNAMJG-ABHNRTSZSA-N 257.421 4.515 30 10 CJEE C=C(C)CC[C@@H](C)NCCCCC(F)(F)C(F)(F)F 2342301155 YAEDJKDIIDUVFK-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccc(C)cc1SC 2342326808 UEUGYPWYDVYKHS-MRXNPFEDSA-N 276.445 4.724 30 10 CJEE C=C(Cl)CN(C)C[C@H](c1ccccc1)C1CCCC1 2342467327 ARXKJYZVVRWOLA-QGZVFWFLSA-N 277.839 4.645 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(COCC)c1 2344379837 JQBULTHQIXMHQY-BBRMVZONSA-N 281.465 4.538 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(F)c(C)c1Cl 2344413117 ZBBSTDBPGRBLCN-INIZCTEOSA-N 282.786 4.892 30 10 CJEE CCCCCCC[C@](C)(N)C12CC(CC(F)F)(C1)C2 2344871494 KRXOSWPMIQWMEN-FHERZECASA-N 273.411 4.890 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSc1ccc([N+](=O)[O-])cc1 2352075150 AXXKSJMVWLWNBC-AWEZNQCLSA-N 299.461 4.669 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(F)ncc1C 2352401491 BSMNDFUHRGFKLV-HNNXBMFYSA-N 266.404 4.670 30 10 CJEE CCSc1cccc(O[C@H]2CC[C@@H]3CC[C@H]2C3)c1C#N 2354083374 CKGYZVGNYHAMBO-YDHLFZDLSA-N 287.428 4.628 30 10 CJEE CCCCCCC[C@@H](NN)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354878945 FBEGNACKMJEBGJ-XLAORIBOSA-N 280.500 4.785 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358286873 WEODQMAUKYQAET-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE Cc1c2c(cc3ccccc13)-c1ccccc1[C@@H]1O[C@@H]21 2039854 MFBSRFKHKCKLIC-OALUTQOASA-N 258.320 4.941 30 10 CJEE CC/C(=N\O)c1ccc(OCc2ccc(Cl)cc2)cc1 20002219 HJUSTDAZUDXXOF-FBMGVBCBSA-N 289.762 4.507 30 10 CJEE CCC[C@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 35929088 UZBAPXYDHPLVRO-ZDUSSCGKSA-N 296.336 4.736 30 10 CJEE N#C[C@H](C(=O)C1CCCCC1)c1c(Cl)cccc1Cl 36930427 ANJJJBPIUFNUDI-NSHDSACASA-N 296.197 4.750 30 10 CJEE CC[C@H](C)C[C@](C#N)(CC)Nc1ccccc1Cl 37938137 HAEFERUFEYVBBJ-WFASDCNBSA-N 264.800 4.860 30 10 CJEE N#Cc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1 39127075 UDWKRJQFSNXWHF-UHFFFAOYSA-N 270.335 4.969 30 10 CJEE N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1cccs1 52902410 YICVSDLHLSQWMH-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Sc1cccc(Br)c1 55307780 ZTVAWUCSQUDOMX-GWCFXTLKSA-N 296.233 4.624 30 10 CJEE N#Cc1ccc(Nc2cccc3ncccc23)c(Cl)c1 62793557 FHVDOBZOEZOWNT-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C 68585104 FODHBGBWZSQMIU-MDZLAQPJSA-N 296.336 4.814 30 10 CJEE C[C@@H]1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)C1 84978429 KWRVKKQBRUSHCI-BVUQATHDSA-N 296.336 4.814 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc3sccc3c2)c1 88127431 MUAVIGDHBUDFGA-UHFFFAOYSA-N 264.353 4.825 30 10 CJEE C=CCCCC1(C(=O)O)CCC(CCCC)CC1 93115009 CFYMSUVNMAYGDP-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE CC1(C)CCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 94305131 JGPGGGIBJVFKFT-CYBMUJFWSA-N 282.309 4.568 30 10 CJEE SCCCCCCOc1ccc(Cl)c2cccnc12 94583149 NPOBCVRUELTCOM-UHFFFAOYSA-N 295.835 4.757 30 10 CJEE C=CCC[C@@H](NCCC)[C@@H]1CCCc2sccc21 97220696 FLDZDLAXWSGAFL-UKRRQHHQSA-N 263.450 4.502 30 10 CJEE Cc1ccc(/N=C\N(C)/C=N\c2ccc(C)cc2C)c(C)c1 100258592 QXAITBQSYVNQDR-FDYZEBBJSA-N 293.414 4.872 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(CC)c(C)s1 104439224 MELWMJPXNICTEP-HNNXBMFYSA-N 268.470 4.548 30 10 CJEE CCCCCCCCCOc1cccc(C#CCCO)c1 104907895 MWGGHHALQSYAAD-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCc2ccccc2C1 109947444 DIWCYHDDRNCPEJ-LPHOPBHVSA-N 273.464 4.883 30 10 CJEE CCCCCCCCOC[C@H](O)c1ccc(C)cc1C 110023282 XTSVKQHBLSXQIV-SFHVURJKSA-N 278.436 4.714 30 10 CJEE CCCCCCCOC[C@@H](NC)c1ccc(C)c(C)c1 110081510 KNTALXOHNDYQPT-GOSISDBHSA-N 277.452 4.551 30 10 CJEE CCCCCCCCCCCCNCc1cc(C)no1 110167644 WMHZMSCICASKFD-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE CCCCCCCCCN(CCC#N)CC(C)C 110247232 ZANUTTLFOQLNCY-UHFFFAOYSA-N 252.446 4.609 30 10 CJEE CCCCCC[C@@H](C)Nc1ccc(Cl)cc1C#N 110255873 OVUHUPHHGKQVQX-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H](C(C)C)CC1 112757092 YKCQTNGZMFVDGR-RBUKOAKNSA-N 296.543 4.822 30 10 CJEE CCCCCCCCCC[C@]1(O)CCO[C@@H](CC)C1 114876001 QKSNUOKCNUQWOL-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCNCC[C@H](C)CCC(=O)O 115731701 YTMMOHZUENAAIZ-MRXNPFEDSA-N 285.472 4.608 30 10 CJEE CCCCCCCCCC(=O)C(CC)(CC)N(C)C 118167911 MXRNBQOZEDKKIY-UHFFFAOYSA-N 269.473 4.817 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1nccn1C 122339735 MBZLBMBGKNKXAD-MRXNPFEDSA-N 280.456 4.765 30 10 CJEE C#CCCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC 122926221 JERMIBAKWZVURY-NRFBVMONSA-N 287.491 4.765 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1COc2ccccc21 124907485 ZUYLUYKNDJOPNF-DLBZAZTESA-N 275.436 4.501 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ccnc(C)n1 132495970 NMBKPCJVHBGRBW-KRWDZBQOSA-N 291.483 4.966 30 10 CJEE CCCCCCCCOc1c(F)cc(C#N)cc1F 134005353 QQIANAHRBPOLAY-UHFFFAOYSA-N 267.319 4.576 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)OC)NCCC 134490099 QFBUKWYCDCZHDV-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCn1c(S)nc2ccc(F)c(F)c21 159400739 QQYKXZQSHIVPJU-UHFFFAOYSA-N 298.402 4.964 30 10 CJEE CCCCCCCCC[C@H](O)c1nc(C)cs1 162237365 CVYMGWYEESCZOJ-ZDUSSCGKSA-N 255.427 4.626 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2ccncc2)ccc1C 185407517 KFCRYXHMHITLPG-OAHLLOKOSA-N 294.398 4.598 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccccc1C(F)(F)F 212966184 VOLSYPYMESVUAV-WFASDCNBSA-N 296.336 4.535 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](c1cccs1)C(C)C 221029962 SCSYKQBGEAVLSD-OAHLLOKOSA-N 270.401 4.737 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc(C)cs2)C1 222261184 ZURRWDYHLKRELC-UPJWGTAASA-N 280.462 4.652 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1ccc(C#N)c(Cl)c1)C2 222305725 MVRXGVSWLPPBAO-NUTKFTJISA-N 288.822 4.838 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1cncc(F)c1 226031936 LIILYMJUWUEFSI-LBPRGKRZSA-N 288.391 4.672 30 10 CJEE N#Cc1cc(F)cc(Nc2c(Cl)cccc2Cl)c1 227620850 NHEHRAISFJITOE-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1cccc(Cl)c1F 228312321 LNQRAAZNKLBWLK-INIZCTEOSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C)cc1Cl 232929726 HAARRLWEVBTGOK-MRXNPFEDSA-N 282.859 4.903 30 10 CJEE CCCCCCCCCCCCNC1CC(OC)C1 232934249 ZQFORRPOCITMOV-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C[C@@H]1CCc2ccccc2N1CCCCC(C)(C)C#N 235345612 SZWRMEDSKALRPE-OAHLLOKOSA-N 270.420 4.548 30 10 CJEE C=CCCCCCNc1c(F)c(F)c(F)c(F)c1F 236220033 PFSLUSFXGXYDTE-UHFFFAOYSA-N 279.252 4.540 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(Br)c1 236316005 AENBVGAQFKMWCV-CQSZACIVSA-N 282.225 4.585 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NCC[C@H]1C 250801489 CWFANJIYCZPHLO-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]([C@H]2CCCN2)C1 250833514 SNVDGPZMPFMLNQ-RTBURBONSA-N 294.527 4.591 30 10 CJEE Cc1cccc(C(C)(C)C)c1Oc1ccc(C=NO)cc1 251001440 LSOCXSWAFOCNGR-UHFFFAOYSA-N 283.371 4.893 30 10 CJEE CCCC[C@H](CC)CO[C@H]1CCCCC[C@H]1C#N 251416383 XXZVNCJDMHDETP-JYJNAYRXSA-N 251.414 4.692 30 10 CJEE COc1ccc(N=Cc2ccc3ccccc3c2)cc1 252463134 ZCTBQLMUVMWHPR-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@H]2CSc3ccccc32)C1 252633832 DHHBAYIMAJBULS-DVOMOZLQSA-N 257.402 4.596 30 10 CJEE Cc1ccc(C2(C#N)CCCCC2)c2c1CCCC2 260643789 NUERBOJBDMKGGQ-UHFFFAOYSA-N 253.389 4.599 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300172649 RMACSDRIPHVYDF-AJNGGQMLSA-N 290.538 4.724 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2ccccc2C(F)(F)F)C1 311722192 UWCFNAJNVLJYCJ-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cccc(C(F)(F)F)c1 316940887 GYUJYCHZSNQSPW-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CC[C@H]1CC[C@](CC#CC(C)(C)C)(CNC(C)C)C1 318025925 GYNOCJMKHQCSGC-WMZOPIPTSA-N 263.469 4.621 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCC[C@H](C)C1 319614543 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CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC(C)(C)CO2)C1 714103313 WJUKXLIQPBHQNR-HLLBOEOZSA-N 263.425 4.692 30 10 CJEE C=CC[C@@H](C)Nc1ccc2cc(Br)ccc2c1 715036942 AWDOYSPVRKFXKR-LLVKDONJSA-N 290.204 4.979 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)ccc1C 715767400 CDDZTIZROVURGC-XJKSGUPXSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@@H](NCC(C)C)[C@H](C)c1ccccc1 715786525 GYUOXXFZHITODW-LZLYRXPVSA-N 259.437 4.617 30 10 CJEE C=CC[C@H](C)C1(CNCCC)CCCCCCC1 715812065 FFKVVCXKACCWPF-INIZCTEOSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NCC 717013069 SQQTZQRJCPWCBE-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(C(F)F)c2cc(OC(F)(F)F)sc2c1 725291617 WAEAUOHFBDPCFQ-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=CCC1(C(=O)NCc2csc3ccccc23)CCCC1 1125091600 FHPSDLMXKVPWPH-UHFFFAOYSA-N 299.439 4.654 30 10 CJEE C=CCC1(C(=O)OCc2ccc(F)cc2C)CCCCC1 1127470035 HHQUQUYUVBFGKI-UHFFFAOYSA-N 290.378 4.704 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CC1CCC1)c1ccccc1 1127641575 NYSLOSIMNZLZGD-CRAIPNDOSA-N 285.431 4.636 30 10 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C=CCCC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 1658504393 YNFYJNOSHHXMLS-FRYIKTPZSA-N 281.443 4.886 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCC(CCC(C)C)CC1 1670944036 GSFYLJSYKZFTAW-MRXNPFEDSA-N 294.483 4.589 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCCCC(C)(C)C 1684207783 RAHYEWVHSQAANQ-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE N#Cc1cccc(-c2c(Cl)cccc2Cl)c1F 1848376662 VUBRLMJIXGWUKP-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C[C@H](C[C@@]1(C=O)CCCCC12CCC2)OC(C)(C)C 1876990071 PQVIUAUNDQFYKN-RHSMWYFYSA-N 266.425 4.510 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@]12CCCC[C@@H]1C2 1877264507 AMMBAZWKTFIHIF-MOPGFXCFSA-N 269.432 4.645 30 10 CJEE C[C@H]1CC[C@H](C[C@]2(C#N)CCc3ccccc32)CC1 1878386799 HWXBMGGWKVQLAB-MPGHIAIKSA-N 253.389 4.611 30 10 CJEE CC#CCCC[C@@H](O)C1CCC(CCCCC)CC1 1879645823 ZITYAIGTBYEHTC-DAWZGUTISA-N 264.453 4.928 30 10 CJEE CC#CCCCCC1(CN)CCC(C(C)(C)C)CC1 1885236315 KTBSILTWOKCGJI-UHFFFAOYSA-N 263.469 4.752 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1ccc(C)c(Cl)c1 1888682190 MEKZMUJXFZUOPT-QGZVFWFLSA-N 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C=CCCCCCCC[C@@H](N)c1cc(C)ncc1C 2227286442 MVHCWFQPRONQFB-QGZVFWFLSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@]1(N)CCO[C@@H](CCC)C1 2227287789 MVNLEOUPTPYLPX-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CC#CCC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2227509413 RZLWGVBDILDBHL-CQSZACIVSA-N 298.257 4.708 30 10 CJEE CCCCCCC[C@](C)(N)c1c(F)cc(F)cc1F 2227802112 IKCANLBBQNVKBI-HNNXBMFYSA-N 273.342 4.638 30 10 CJEE C=C1CC(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 2228025979 LSBWTNAPKCSFNX-UHFFFAOYSA-N 288.696 4.898 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228465756 AHOXSCWLZBOYNB-YYIAUSFCSA-N 282.493 4.653 30 10 CJEE CC#CCCC[C@@H](NCCC)c1sc(C)c(C)c1C 2228581139 VGEKONQYWWVYMP-MRXNPFEDSA-N 277.477 4.908 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@@H](C)[C@H]1C 2231026368 IAEXVXODDQROIA-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CCCCCc1ccc(CNCCC)c(F)c1Cl 2231747446 KRTIPAUZWGTVKF-UHFFFAOYSA-N 283.818 4.878 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2OC[C@H]3CCCC[C@H]32)C1 2233392784 RDNLDNRYEVFDOH-CBZIJGRNSA-N 275.436 4.692 30 10 CJEE CCCC#C[C@@H](NCCC)c1cccc(C(F)(F)F)c1 2233796417 ASTKBSRPKZWLEI-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNC[C@@H](F)C1 2234659790 JFKPTTMHOBWNFG-IRXDYDNUSA-N 287.463 4.624 30 10 CJEE C=CCCCCCCC[C@@H](CCc1cccnc1)NC 2235524303 OTNNJDRCKCFYLA-SFHVURJKSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCC[C@](C)(CCC)CNCCOC 2235526342 JXPLDUUEGLBNKM-SFHVURJKSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](C)[C@H]1CCCO1 2235532315 JEGRJBZSZAJQOQ-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCN1CCC(OC(C)(C)C)CC1 2235533981 DQHXUVVBHWRMEI-UHFFFAOYSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCC[C@@H](N)C1CC(OC(C)(C)C)C1 2235537533 CHTSCSNPGXCGJI-OFLPRAFFSA-N 281.484 4.824 30 10 CJEE C=CCCCCCCCC(=O)[C@@]12CCCC[C@@H]1OCC2 2235540733 ACYXGFUOVTYFFB-ROUUACIJSA-N 278.436 4.822 30 10 CJEE CCCCCCCCC[C@H](O)c1nccc(C(C)C)n1 2237515499 UKXWWUBHQSUQBM-INIZCTEOSA-N 278.440 4.774 30 10 CJEE CN([C@@H]1CCC[C@H](C(C)(C)C)C1)[C@@H]1CCCC[C@@H]1C#N 2238156531 LJBWQMXJEROZGZ-YYIAUSFCSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCOCc1cccc(NC)n1 2239487914 VECHTJQEFWKPFP-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCCCCCCCCCOC[C@@]12CC[C@@H](CN1)C2 2239488600 AYTBCKBEWXXGAT-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE CCCc1ccc(C#C[C@@H](N)C(CCC)CCC)cc1 2239648588 ZOPHEBQZJDSRBD-LJQANCHMSA-N 271.448 4.534 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCCCC1(C)C 2240566545 RUIXAUWLSRWWMO-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1ccccc1Cl 2240637428 ITTQGTCZDXZZFR-DLBZAZTESA-N 297.870 4.841 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)[C@H](C)CCC(C)C 2240638306 SGYKBSAXNSWFLY-SQNIBIBYSA-N 285.516 4.888 30 10 CJEE CCCCCCCC[C@H](C)NCc1cc(C(C)C)n[nH]1 2240645090 QFSJVALUEHDBRH-HNNXBMFYSA-N 279.472 4.762 30 10 CJEE C=C(Br)CSC[C@H](CC)CCCC 2242465178 OLJTUTSDAGKNCX-LLVKDONJSA-N 265.260 4.845 30 10 CJEE C=CC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2243872876 XFJQXSDUBBZUSL-CYBMUJFWSA-N 258.192 4.529 30 10 CJEE C=C(C)CCCCNc1cc(C)cc(Br)c1 2244653063 RKGVPHACXTYQFM-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=C(C)CCCCNc1c(F)cc(Cl)cc1F 2250162386 YFWYVSSKVKFSTF-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE C=C(C)CCCC[C@@](O)(CC)c1cccc(F)c1 2259237043 JVQKUHUSRVMFMU-INIZCTEOSA-N 250.357 4.560 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1nc(C)c(C)s1 2259239838 SUNMSQPZJPEBON-AWEZNQCLSA-N 266.454 4.547 30 10 CJEE C[C@H]1C[C@@](C#N)(CC2(C)CC(C(F)(F)F)C2)CCS1 2264693575 MXCNMASULPIVDL-YWPUVAFDSA-N 291.382 4.781 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CC(F)(F)C12CCC2 2266148039 QIEOKNKQKYRYMP-UONOGXRCSA-N 274.395 4.923 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(CO)c1C 2268329529 PBYSWLAANAVHCQ-CQSZACIVSA-N 263.425 4.648 30 10 CJEE C=CCCCCCCCSCc1ccc(O)c(N)c1 2271512692 ANTCNHFYCNCIJW-UHFFFAOYSA-N 279.449 4.734 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@@H](CC)CCC 2272081109 VRMBAPWEZYNMLY-DOTOQJQBSA-N 268.441 4.659 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C=O)CCOC1(C)C 2272252102 ISDHITGZBRHLHG-DOTOQJQBSA-N 268.441 4.613 30 10 CJEE C=CCC[C@@H](CCCCCCCCC)OCCCN 2276616183 DXRVTWBTAAKWMK-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C[C@@](N)(CC[C@@H]1CCCCC12CC2)c1ccccc1 2279652501 MPVIKGVECPAGKH-QFBILLFUSA-N 269.432 4.777 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1sc(C)c(C)c1C 2280017219 KOZJLACRXPRGIH-IAGOWNOFSA-N 297.508 4.785 30 10 CJEE CC#CCCCC[C@H](C[C@@H]1CCCC12CC2)NCCC 2281340902 WHXVUJHVHUKPQK-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCCC2(CC2)C1 2284111706 JZHDUYKMFASQLU-DLBZAZTESA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CC[C@H]2CCCC[C@@H]2C1 2284111749 WCWBHVAGBIAPAK-LMMKCTJWSA-N 273.464 4.670 30 10 CJEE CC(C)(C)C#CC=CCN1CCC2(CCCCC2)CC1 2284127682 AXYKHYHHCAOPGB-UHFFFAOYSA-N 273.464 4.638 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC)c2c1CCC2 2284529726 GCCHJERZAUTYAX-QGZVFWFLSA-N 275.436 4.544 30 10 CJEE CCCCCCCCCCNCc1nc(C)ccc1F 2287017218 QPHMDFQAJQKRJW-UHFFFAOYSA-N 280.431 4.759 30 10 CJEE CCC[C@](C=O)(CC)CN1CCCC[C@@H]1c1cccs1 2287683134 WQCUNZZTGVJUHE-NVXWUHKLSA-N 293.476 4.671 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@]12CCCC[C@H]1CC2 2288992832 TXNMROKHQLLOED-GBESFXJTSA-N 275.480 4.909 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](O)(C#CC2CCCCC2)CC1 2289614559 PLIGYKHZBPFROR-PKOBYXMFSA-N 276.464 4.928 30 10 CJEE CCN[C@@H](CCC#CC1CCCC1)c1ccc(Cl)cc1 2289860494 VWNWNNYRDPKVGQ-SFHVURJKSA-N 289.850 4.964 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2289899584 RZKJZMCDAIWSPT-OKZBNKHCSA-N 272.432 4.746 30 10 CJEE CCCCCCCCCCNCC[C@]12COC[C@H](C1)C2 2290383052 GZDLCLJOWLXHTD-HDICACEKSA-N 281.484 4.533 30 10 CJEE CCCCCCC[C@@H](CC1CCC=CCC1)OCCN 2292930606 ICQHESSSGZZUOD-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@H](C2CC2)C1 2293665942 ASGPVNSEDCOMMA-ROUUACIJSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@H](CCC1CCCCC1)OCCN 2293876651 PIJZGRGFGLHYKL-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)C(C)(F)F 2294020404 GGODBXRCSPUWOA-HNNXBMFYSA-N 291.426 4.682 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCCC[C@@H]1C 2295522266 MACPOZVRBFDZRG-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@]12CCCOC2 2295675744 FDYUWCGXJAXQNP-KSZLIROESA-N 281.484 4.674 30 10 CJEE CCCC[C@@H](CC)CSc1ccc(C#N)c([N+](=O)[O-])c1 2295698186 YRBDUDOJKKGSSU-GFCCVEGCSA-N 292.404 4.775 30 10 CJEE C=CCCCCNCCCCCCCCCCC(=O)O 2296267589 VJIPMUZWAPCJCZ-UHFFFAOYSA-N 283.456 4.528 30 10 CJEE CCc1ccccc1NC=CC(=O)c1ccc(C)c(C)c1 2296876280 IBFZAPCVXNBNMC-UHFFFAOYSA-N 279.383 4.674 30 10 CJEE C=CC[C@@H](C)Sc1nc(Cl)c([C@@H](C)NCC)s1 2298941681 FVHUFHVTUDVBAR-RKDXNWHRSA-N 290.885 4.524 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)s1 2300146177 DTOWEPLUOFPWIS-GRYCIOLGSA-N 269.841 4.797 30 10 CJEE C=C([C@@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C(C)(C)C 2309182516 RKGJKZWBWUGPPD-YHUYYLMFSA-N 250.426 4.556 30 10 CJEE N#C[C@@]1(CC[C@@H]2C[C@H]2C2CC2)CCCC(F)(F)C1 2310510999 YHOWILRZLREHMI-HZSPNIEDSA-N 253.336 4.532 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)NC 2312880187 NNTWLMNTIZROCK-QZWWFDLISA-N 251.458 4.761 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1[C@@H](C)[C@@H]1C)NCCC 2321094942 DNWKCZLDTXQNKQ-NXNVCVFFSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)cc1CC 2321102887 UXBIANGGYGDVCK-CVEARBPZSA-N 265.828 4.895 30 10 CJEE CCCCCCC[C@](C)(SC1CC(C)C1)C(=O)O 2326946999 NAONNSQISVAKKN-PIMMBPRGSA-N 272.454 4.722 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCCCC2)CC[C@@H]1NC 2335096367 MBFALELWWSYQJO-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339277061 FLDASVLQXHGOOY-DZVNLGKHSA-N 260.421 4.764 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2cccc(F)c2o1 2341927722 ZZSAMDALWJSINK-CQSZACIVSA-N 261.340 4.579 30 10 CJEE CCCCCCC[C@@H](O)CCCOc1ccccc1 2343332571 SEVRHUZYJYGYNC-MRXNPFEDSA-N 264.409 4.567 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc2c(c1)CCCC2 2344356695 NWBJOQBXHDLAOQ-ROUUACIJSA-N 257.421 4.558 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(COC)s1 2344381799 WAJZQBDCXDTOHD-HOTGVXAUSA-N 281.465 4.538 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1sccc1OCC 2344397330 RRBSDNIGSVFNPE-OAHLLOKOSA-N 281.465 4.790 30 10 CJEE C=CC[C@](C)(CC)C(=O)CCCOC1CCCCC1 2344407076 UTUJMTZYOJLXLJ-KRWDZBQOSA-N 266.425 4.677 30 10 CJEE FC1(F)C[C@@]12C[C@H]2COCCCCCCCCCS 2352499938 OZWHWIBVXHTFEP-UONOGXRCSA-N 292.435 4.709 30 10 CJEE CCC[C@H](CC)COc1cc(C)c(C#N)c(C)c1C 2353530377 HDHZUYGUPVADJP-HNNXBMFYSA-N 259.393 4.689 30 10 CJEE C=C([C@@H](O)C1CCC(CC(F)(F)F)CC1)C(C)(C)C 2353640899 OFIBKENONXBACT-WXRRBKDZSA-N 278.358 4.708 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@]12CCC[C@H]1OCC2 2354653163 SUGJXYSYRKGAOX-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE Cc1ccccc1N[C@@H](C#N)[C@@H]1C[C@H]1C1CCCCC1 2357744742 UIJSXDAYMYKUKB-JZXOWHBKSA-N 268.404 4.516 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC[C@@H]2C[C@@H]21 2360080480 XSYTXDGYVBWXQV-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1[C@@H]2CCOC[C@@H]21 2360175442 JMRWNJRFRCSDBM-XWTMOSNGSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)Sc1cc(OC(C)C)c(F)cc1N 2360204731 FUFCORVSSXXFRA-UHFFFAOYSA-N 295.423 4.808 30 10 CJEE COc1ccc(/C=N/c2ccc(C)cc2)c2ccccc12 282807 GBNMPLYNABAKKV-DEDYPNTBSA-N 275.351 4.907 30 10 CJEE CCCCCCCCCOc1ccc(C(=O)O)cc1F 2386005 YVNFUNGFOGSAHH-UHFFFAOYSA-N 282.355 4.653 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)cc(F)c2C)s1 37089268 FZEJXOIMRWMKJR-LLVKDONJSA-N 274.364 4.549 30 10 CJEE Cc1ccc(C)c(S[C@@H]2C[C@H](C)CC[C@@H]2C#N)c1 37155839 XAGHAEHRXLJIIF-XNRPHZJLSA-N 259.418 4.724 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc2cccnc12 52908661 ISFIMWRNEVIWEV-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE Cc1ccc(Cl)cc1N[C@H](CC#N)c1ccccc1 55014775 MYNDFQMFCZUREG-OAHLLOKOSA-N 270.763 4.715 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(OC)ccc1OC 59134419 KWPPGISAVQXHNZ-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2c(c1)CCC2 59283942 FODQIPWYAMLECK-SFHVURJKSA-N 259.437 4.796 30 10 CJEE O=C(/C=C/c1c(O)ccc2ccccc12)c1cccs1 62167785 VBUZHRVIOKQXJF-CSKARUKUSA-N 280.348 4.503 30 10 CJEE Cc1nc(COc2ccc(C(C)C)cc2)sc1CS 82419825 BSJSMXIXCSOCHK-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(NC2CCCCC2)CC1 86959858 DBVYJLQJCLFSEO-MAUKXSAKSA-N 276.468 4.797 30 10 CJEE CCN(C[C@@H](CS)c1ccccc1)c1ccc(C)cc1 94580475 HCQFLDSIKMKCIF-KRWDZBQOSA-N 285.456 4.535 30 10 CJEE C#CCCC[C@H](NCCC)c1oc2ccc(F)cc2c1C 97390111 UEIJPTGXVPYOSD-INIZCTEOSA-N 287.378 4.725 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCCC)[C@@H](C)CC 106026473 HRDGECIWWGLDLN-ZWKOTPCHSA-N 284.532 4.965 30 10 CJEE CC[C@H]1O[C@H]1CCc1ccc(OCc2ccccc2)cc1C 107616912 MLERNADKQYVAAY-UXHICEINSA-N 296.410 4.684 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)cc(Cl)c1OCC 107656179 KFBCKHLDTJWUDU-JTQLQIEISA-N 271.187 4.909 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)Nc1cccc(F)c1 110028734 JEKIQPAICFFADI-XOKHGSTOSA-N 274.383 4.592 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](C)C(=O)OC 110046475 YYQRGCSJWMSDQM-KRWDZBQOSA-N 299.499 4.648 30 10 CJEE CCCCCCCCC(=O)[C@H]1COc2ccccc2C1 116258182 HRNPDVQGIXGNQX-MRXNPFEDSA-N 274.404 4.557 30 10 CJEE CCCCCCCCOc1cccc2c1CCC[C@@H]2N 116378413 MKSCBJBTZSJQNW-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CC(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 122555135 DJUWKWJPYWIITN-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CCCCCCCCCCNc1cc(F)ccc1N 124741589 XSLMVFLWWDFLIZ-UHFFFAOYSA-N 266.404 4.961 30 10 CJEE CCCCc1ccc(OCCCC(C)(C)C#N)cc1 130265890 BURUKTOKSMWDOA-UHFFFAOYSA-N 259.393 4.738 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccnc(C)n1 132444594 CQHSOACKTJQYBE-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCCCCCCC[C@H](N)c1ccncc1CC 135372929 BHNONXDOKJMBNX-KRWDZBQOSA-N 262.441 4.785 30 10 CJEE CCSc1cccc(N(CC)C[C@H](C)CC)c1C#N 136680812 ZDCHDKYDLFZZQJ-CYBMUJFWSA-N 276.449 4.543 30 10 CJEE C=CCCC[C@H]1C[C@@H](CC)CC[C@@H]1CNCCC 156060324 KIHAWMRVXKLKAI-YESZJQIVSA-N 251.458 4.785 30 10 CJEE N#Cc1ccc(CNc2ccccc2SC(F)F)s1 161088874 KWWSGXVPEVQUPO-UHFFFAOYSA-N 296.367 4.547 30 10 CJEE CCC(CC)CN(CC)c1ccc(C(F)(F)F)c(C#N)c1 164431525 BWLBEEQDVMPWRI-UHFFFAOYSA-N 298.352 4.840 30 10 CJEE N#Cc1cc(Oc2ccc(F)cc2)ccc1C(F)(F)F 164494430 FJIHHAOMAKUSNH-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(OC(C)C)c1 167757767 URMXBJKUUFOPSR-GOSISDBHSA-N 275.436 4.871 30 10 CJEE CCCCCCCCCCOCCCCCC(=O)O 203332496 OSJQHLUXXLVPCG-UHFFFAOYSA-N 272.429 4.789 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H]1C 226908752 NGTLYXQTOMUEAN-BBWFWOEESA-N 251.458 4.927 30 10 CJEE N#Cc1cccc(Oc2cccc(Cl)c2Cl)c1 227634278 WHUFBOYUUGIISS-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(Cl)c(OC)c1 229772263 MXGPKUIRMNSCTR-CQSZACIVSA-N 269.816 4.709 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@@H]1CC 232917102 GKZYJLRJICKRDK-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(C(F)(F)F)cc2)CC1 235617633 HUJNWWHLDSRXTC-SNVBAGLBSA-N 268.278 4.635 30 10 CJEE C[C@H]1CCC[C@H](Nc2cccc(Cl)c2C#N)CC1 235658479 FCOFOEOYGTULRU-RYUDHWBXSA-N 262.784 4.592 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Cl)c(C)c1 235758293 PTTHFNPGXBIDKJ-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE C=CCCCCC[C@@H](N)CSc1ccc(C)cc1 235793777 RDXKRMXAWDICRC-OAHLLOKOSA-N 263.450 4.551 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccccc2Cl)cc1Cl 235911030 XEKNFANFKSNKBQ-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C=CCc1cc(N)ccc1OCc1ccc(C)cc1Cl 235916809 GLBKUZTURYLVIW-UHFFFAOYSA-N 287.790 4.538 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(F)cc1Cl 236228431 KMFXBWWMHLNJFB-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Br)s1 236302833 CDUGCJSSZWJIEV-JTQLQIEISA-N 288.254 4.647 30 10 CJEE C=C(CC)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 251254705 WXUKQUQQCUYTHI-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CCC(=NO)c1ccccc1O[C@H]1CCC[C@H](CC)C1 252464293 VXMRCHPBYVWZOS-KBPBESRZSA-N 275.392 4.623 30 10 CJEE CCCC[C@H](CC)[C@H](CC#CC(C)(C)C)NCC 305895810 HPVIPXMIIFJDRY-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCC[C@@H](C#N)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307899996 XUUHZPABFKYQAW-FZMZJTMJSA-N 286.202 4.531 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cncc(Cl)c1 307952904 FKJXSWJSGPXNFH-OAHLLOKOSA-N 266.816 4.522 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@@H](C)CC(C)C)CC1 311270062 ZRPNGYXQVREDSJ-SOEBMCCKSA-N 265.441 4.530 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)cc(F)c1F 311513784 ZWCZCOAQHVKNNK-CQSZACIVSA-N 274.326 4.888 30 10 CJEE Cc1cc(OC[C@@H]2CCC[C@@H](C)C2)c(C)c(C)c1C#N 312526295 JFPCZRCQXPQQMF-MLGOLLRUSA-N 271.404 4.689 30 10 CJEE N#C[C@]1(Cc2ccccc2C(F)(F)F)C[C@H]2CC[C@H]1C2 312713874 DQZNJYBKSCCUSG-CORIIIEPSA-N 279.305 4.578 30 10 CJEE C=C([C@@H](NCCC)[C@@H](CC)c1ccccc1)C(F)(F)F 312967628 ONROYJZSFVTQKE-LSDHHAIUSA-N 285.353 4.667 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(F)ccc2Cl)C1 316900526 UBBFXQAMBXIHTL-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(c2ccc(C(F)(F)F)cc2)C1 382161053 HUBDIHQRZIGHOY-BXUZGUMPSA-N 267.294 4.677 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC[C@H](C)C1)NN 382533139 WOMCPIKHGDUCOI-YESZJQIVSA-N 268.489 4.785 30 10 CJEE C=CCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCCC 388365885 HJINLTJSKRDIJH-BZUAXINKSA-N 283.525 4.879 30 10 CJEE C/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccc2ccccc2c1 396615653 BDAONAYRWRTUAR-BUHFOSPRSA-N 294.203 4.875 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCCc2ccccc21 398194748 SUMGOAWWGCZDHB-MAUKXSAKSA-N 257.421 4.789 30 10 CJEE C=CC[C@@H](CNCC(C)C)CC(F)(F)c1ccccc1 400652658 WIVCCKROUZZPPE-OAHLLOKOSA-N 281.390 4.606 30 10 CJEE CC[C@@H](Oc1ccc(Cl)cc1C#N)c1ccccc1 403119479 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C=C1C[C@H]2CC(NC[C@H]3CCC[C@H](C)C3)C[C@@H](C1)C2 697303553 CWQVMWPFNITFOL-FRYFRDGCSA-N 261.453 4.537 30 10 CJEE CC(C)C1(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 697594938 IIVDMOMASRICSM-LLVKDONJSA-N 296.197 4.606 30 10 CJEE C=C(C)C[C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C 699098100 SKCIGBCAOYEWFA-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(C(F)F)c2F)CC1 701221456 ZNYPJTYZWNBXEX-VIFPVBQESA-N 268.278 4.692 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cnc2ccsc2c1 703954413 FFJQSLZVHLEEEO-ZDUSSCGKSA-N 288.460 4.939 30 10 CJEE C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)CC(C)(C)C1 708373341 OAHVJKGYLGSVHS-IUODEOHRSA-N 290.838 4.516 30 10 CJEE CCCCCCCCC(=O)C(C)(C)c1ccncc1 714335858 KMHMTIIGBOUMQE-UHFFFAOYSA-N 261.409 4.679 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 715707064 VKUVIFPTKCZNHJ-XGUBFFRZSA-N 291.401 4.936 30 10 CJEE CCCCCCCC[C@H](Cc1cnc(C)s1)NCC 718879916 YEZIUICMIASHDH-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CCCCCCC[C@@H](Cc1cnc(C)s1)NCCC 718879918 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C=CCC1(N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CCOCC1 1660228434 VLYRLJSNYSMTED-IAGOWNOFSA-N 293.495 4.696 30 10 CJEE C=CCC[C@@H](CCC)NCc1ccnc(-c2ccccc2)c1 1660423294 GZXSVXBQBBMFDD-LJQANCHMSA-N 294.442 4.973 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 1665180781 BVAPDNXAAFMLBV-ZDUSSCGKSA-N 284.359 4.538 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(OC)c(C#N)c1 1665498462 OWMIGYOUYNBNLJ-AWEZNQCLSA-N 272.392 4.504 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CC)c1 1666945004 NYMOTYQLAQRTOB-WBVHZDCISA-N 286.419 4.505 30 10 CJEE N#Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1Cl 1848375504 XVOBHGFLGWEDPC-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC#CCCCC[C@H](NCCC)C1CC(C(C)C)C1 1885226966 GDOZZWAVTNRQGG-ABHNRTSZSA-N 263.469 4.621 30 10 CJEE CCCCCCCN(C)c1ccccc1[C@H](O)CC 1887114518 UQIJRKKZLXJMQE-QGZVFWFLSA-N 263.425 4.537 30 10 CJEE CCN(CC#CC1CCCCC1)C1CCCCCC1 1888636045 ULXXDYYOKYEUPL-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=CC[C@@H](C)SCC1(CS)CCCCCC1 1899407956 ANILRJRTINNRRV-CYBMUJFWSA-N 258.496 4.955 30 10 CJEE 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CCNCC1(CC=CC#CC(C)(C)C)CCCCC1 2268728207 LSLBNHAKWTUWAU-UHFFFAOYSA-N 261.453 4.542 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1csc(C2CC2)c1 2268744726 APVNVIBWTVASLQ-UHFFFAOYSA-N 272.413 4.804 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C[C@@H](C)C(C)(C)C 2268814514 YKQWQIOUOGQWPZ-HZPDHXFCSA-N 263.469 4.643 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2nc[nH]c2c1 2268942971 KTUYXBHQGPKBQD-ZDUSSCGKSA-N 259.397 4.724 30 10 CJEE C=CCCCCCCC=C1[C@H]2CCC[C@@H]1C[C@@H](N)C2 2270332844 AXLAJYQSMLRDGL-BJWYYQGGSA-N 261.453 4.977 30 10 CJEE CC1CC(C#N)(CCCCCCCCCCCO)C1 2271213230 VXEDJNSBDWZVIR-UHFFFAOYSA-N 265.441 4.820 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1CNCC 2271784452 GBRQANGEMMWFEX-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C(C)(CC)CC 2273999636 MMQKRILVZWEIOI-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1ccc(Cl)o1 2274049950 AKJFBPQZQAPPQH-CQSZACIVSA-N 279.811 4.557 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@H](C)C(C)C 2276063718 KNTPYJAMFIPUGN-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE 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CO[C@@H](CSC[C@H](C#N)C1CCCCC1)CC(C)(C)C 2287300058 HRUAHXBCXQVADD-JKSUJKDBSA-N 297.508 4.891 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCCCCCCC1=O 2287471433 AUPHXDRLEHJMEN-QGZVFWFLSA-N 280.408 4.507 30 10 CJEE CCCCCSCC[C@H]1CCCC[C@]1(C#N)NC1CC1 2288862318 XHHUMUVXYAKMMZ-NVXWUHKLSA-N 294.508 4.504 30 10 CJEE CCCCCCCC[C@@H](CC1CC(C)C1)OCC(=O)O 2291157241 XXJQNZNEVMAKAF-GPANFISMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](CC1(CCC)CC1)OCC(=O)O 2291418939 HZFZJRKZWATVTR-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1(C)CC=CC1 2292651564 BAQZNNRPDNHKNT-QGZVFWFLSA-N 279.468 4.603 30 10 CJEE C=C1CCC(C[C@](C)(CCCCCC)OCCN)CC1 2292914158 ZFVIQQVIKNLDTR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC2(CCC2)C1 2293659013 PWKPTUYORPWQDC-GOSISDBHSA-N 281.484 4.805 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(Cl)cc1F 2294032108 HGOCJTWKDHEJDZ-INIZCTEOSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@@](C)(CC1CC(F)C1)OCCCN 2294149783 ZHNWGQYBIIPBHQ-JCYILVPMSA-N 287.463 4.609 30 10 CJEE 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RXRQFLSEYGTXNJ-LHHMISFZSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC1(C(F)(F)F)CC1)NC 2344761113 VVIQFXRGRSDYHB-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CC1(C)CC[C@H](CCC2(C=O)C[C@@H]3CC[C@H](C2)S3)C1 2344885539 IQQVGMWDAMMNPO-TUCDSHDJSA-N 280.477 4.836 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@@H]1CC(C)C 2352214869 NYWNWOVIPOZJSD-CZUORRHYSA-N 282.449 4.520 30 10 CJEE CN[C@H](C#C[C@H]1CC1(C)C)c1c(Cl)cc(C)cc1Cl 2353060145 XTRBCDWGGZVEPS-SMDDNHRTSA-N 296.241 4.612 30 10 CJEE C=CCC(CC=C)[C@@H](NN)c1c(Cl)cc(C)cc1Cl 2353124119 AHLPCZMFPPZRQH-OAHLLOKOSA-N 299.245 4.575 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CCCC[C@H]1C(F)(F)F 2353836422 ZLHACKUPKKWALV-XQQFMLRXSA-N 298.414 4.716 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H]1CCCC[C@@H]1O 2358947705 DOILICGMRJNEDO-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(C)c(F)c1 2360327521 OPHKPJMDGXOQSI-YOEHRIQHSA-N 295.467 4.873 30 10 CJEE N#CCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1 16948223 DVZBXOVBXWDWMJ-UHFFFAOYSA-N 299.373 4.999 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCOc2ccccc21 37766221 JZOLRXGLEWZTLC-OAHLLOKOSA-N 297.423 4.900 30 10 CJEE CCCN[C@@](C)(C#N)CCCCSc1ccc(C)cc1 45363449 GCRGVRCVDGCSCY-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE CCCCCCCC(=O)Cc1ccc2ccccc2n1 59082611 PZIQNJRCZQRTPL-UHFFFAOYSA-N 269.388 4.707 30 10 CJEE CCCCCCCCOC[C@H](N)c1cc2ccccc2o1 59083616 MGISKEDKPULYNZ-INIZCTEOSA-N 289.419 4.810 30 10 CJEE Cc1ccc(C(C)C)c(Oc2cccc(F)c2C#N)c1 62665013 YMDCQSNEHFZLAG-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1CC#N 62670572 HNMRHEHAZPKJPF-OCCSQVGLSA-N 277.795 4.926 30 10 CJEE CC[C@@H](Nc1cc(C#N)c2ccccc2n1)c1cccs1 68770294 NFCFWLPTHOPEOM-CQSZACIVSA-N 293.395 4.731 30 10 CJEE CC(C)(C)c1nc(-c2c(F)cccc2F)sc1CS 82439324 VZZLFMPZCKVMIS-UHFFFAOYSA-N 299.411 4.816 30 10 CJEE Cc1ccc(Cl)cc1Oc1nc2c(cc1C#N)CCCC2 88729853 OIWFTECRLATFSN-UHFFFAOYSA-N 298.773 4.586 30 10 CJEE CCCCCCCCCCCc1nnc(CCCN)s1 91252572 WJGRWZCMGDDDGF-UHFFFAOYSA-N 297.512 4.503 30 10 CJEE C[C@H](CS)CN(C1CCCCC1)C1CCCCC1 94578424 XEPHRAPRLCKCQY-AWEZNQCLSA-N 269.498 4.520 30 10 CJEE C=CCc1cc(C(C)=O)ccc1OCCCCCCC 100132795 QKRXLBAHEZUZQV-UHFFFAOYSA-N 274.404 4.967 30 10 CJEE Cc1cc(C#N)ccc1Oc1cc(C)c(Cl)c(C)c1 104181199 SYTJKPKBVDYEIE-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCCCCOc1cc(C)ccc1C(=O)O 109970853 XDVUOFBZJJFHOS-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CC(C)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 110252467 VIEIDFGJXGOZJY-UHFFFAOYSA-N 284.790 4.627 30 10 CJEE CC(C)(C)c1ccc(Nc2cc(C#N)cc(Cl)n2)cc1 122619795 RFENSLOUKAUAFY-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE CC(C)(C#N)CCCNC1CC(C)(C)CC(C)(C)C1 125531620 TWZKJQHZORWIEK-UHFFFAOYSA-N 264.457 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccncc1Cl 135351817 IZCZRSHIUHHSHW-OAHLLOKOSA-N 269.816 4.909 30 10 CJEE CCCCCCC[C@H](NCCC)c1scnc1C 139600986 MVOHBFPOXIFTGM-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCCC[C@H](N)c1scnc1C 143420063 LJVOOBLNJVNPLM-AWEZNQCLSA-N 268.470 4.982 30 10 CJEE CCCCCCCCCCCC[C@](O)(CN)CCC 150009756 JFQUZDPXSFGDLW-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE C=C(Br)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 161371733 NAPNRILLPKFXOK-LBPRGKRZSA-N 296.252 4.543 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)cc1Cl)C1CC1 162265712 VMGHGICMQSFAHE-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 162788022 ZEAWEVCTINWUBN-RDJZCZTQSA-N 290.838 4.516 30 10 CJEE C[C@@H]1CCCC[C@@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164489316 HDNDJTMGSCPLES-YGRLFVJLSA-N 283.293 4.535 30 10 CJEE C[C@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 164498291 UUKRHYRJEBISSL-CMPLNLGQSA-N 283.293 4.535 30 10 CJEE CCCCCCCC[C@H](NCCC)c1nccn1CC 166139870 GXIGBJWPFVIBOH-INIZCTEOSA-N 279.472 4.694 30 10 CJEE CC#CCC[C@@H](NCC)C(CC)(CC)c1ccccc1 168136113 RSCCZSVKLBLBAY-GOSISDBHSA-N 271.448 4.526 30 10 CJEE CCCCCCCCCC(=O)C1(CCC)CCNCC1 169189071 YYRAKVNGICNVEK-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE C#CCOc1ccc([C@H](C)N[C@@H](CC)c2cccs2)cc1 178709051 JRLBPRSPIQWUMT-YOEHRIQHSA-N 299.439 4.562 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2csc3ccccc23)C1 218407460 SPLOEEZUMWPFIK-OAUYIBNBSA-N 285.412 4.655 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)c(F)c2)C1 222271107 CCKNHMQTCAOYJZ-ZETOZRRWSA-N 281.371 4.775 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1C 228086070 RSJXDKRPYIKXHK-ILXRZTDVSA-N 290.538 4.725 30 10 CJEE CC#CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCC 231658936 CRBDTPRBHVBQMT-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CC(C)(C#N)CCCCSc1ccc2c(c1)CCC2 232525683 CQJBTWODCAEBHY-UHFFFAOYSA-N 273.445 4.987 30 10 CJEE Cc1cccc(C#N)c1NCCCCCCC(C)C 232540954 WTQDTKPUFPQRPC-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](C(F)(F)F)CCN1 232940479 YDDAFKXKHNGUAL-CHWSQXEVSA-N 265.363 4.668 30 10 CJEE CCCCCCCCCc1ncn(C(C)(C)C)c1N 232960524 RAJYRETVKCFXAE-UHFFFAOYSA-N 265.445 4.513 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCCC[C@@H]1C 232965113 OHBBQIQYTSAILI-ROUUACIJSA-N 282.516 4.719 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(C)oc(C)c1C 233606674 GHWXXYIPAMIYJT-MRXNPFEDSA-N 263.425 4.992 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(Cl)s2)c1C#N 235251836 IRMNJUSKWKELGZ-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE C[C@@H]1CC(OCCCCC(C)(C)C#N)C[C@@H](C)C1 235362702 DIEFRCXNQPDAOH-KBPBESRZSA-N 251.414 4.548 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H]2C2CCCC2)C1 251406921 WKMIQQIFWKXHAJ-YSHGAJCASA-N 288.479 4.750 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@H](CS)C(C)(C)C)C1 251952072 WXUSUHOUMDMZGT-AGIUHOORSA-N 260.512 4.890 30 10 CJEE CCOc1ccc(C=Nc2cccc(C(F)(F)F)c2)cc1 252630237 UXNBDLBQFCEEBH-UHFFFAOYSA-N 293.288 4.855 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC 253246164 GOWQUZSCPVHJFD-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 253336418 YJIIOMXLFNOGCA-MGPQQGTHSA-N 252.398 4.506 30 10 CJEE N#CC1(c2ccc(C3CCSCC3)cc2)CCCC1 260670450 UNDDDWJGSBPNHE-UHFFFAOYSA-N 271.429 4.633 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2CCOC3(CCCC3)C2)C1 312465722 FBKMGSYTNYRQAT-ZACQAIPSSA-N 275.436 4.836 30 10 CJEE C=CCC(C)(C)CNc1cc(C)c(C(F)(F)F)cc1N 312631667 MNVJDQIEVUISOO-UHFFFAOYSA-N 286.341 4.610 30 10 CJEE CC(C)[C@H](Nc1cccc(CC#N)c1)c1ccccc1 313435209 JIOQSBOSUHOYFD-SFHVURJKSA-N 264.372 4.562 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCC[C@@H]2C)cc1Br 314525182 GVARNEUIEJVPIP-WFASDCNBSA-N 292.220 4.630 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC[C@H]2C)c(Cl)c1 384857172 MDPWMFGCCRWFQE-CZUORRHYSA-N 261.796 4.911 30 10 CJEE CCCCCCCCC[C@H]1NC[C@@H]1C1CCCC1 385383598 ZOPSLKKWZQHEJP-IAGOWNOFSA-N 251.458 4.905 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)ccc1F 387427520 HPJARGLWUPWUEY-INIZCTEOSA-N 299.817 4.501 30 10 CJEE CC(C)C/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccccc1 396737547 LULPHSNKQFESJK-DTQAZKPQSA-N 286.224 4.748 30 10 CJEE CCc1csc(SC[C@H](C#N)C2CCCCC2)n1 397197947 OJLDCUSCPDOWLW-LBPRGKRZSA-N 280.462 4.518 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1(COC)CC1 401271737 ARSFNFSGDYNAPH-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1ccc(C#N)c(F)c1 404055100 GPIKILBGSGPOFB-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCC[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 442867200 KRHAAEDXIFRYKC-FAFZWHIHSA-N 284.447 4.837 30 10 CJEE CC[C@H](Nc1cc(C)cc(OC)c1C)c1ccc(C#N)cc1 494507408 ALNARHLEZKWAIM-KRWDZBQOSA-N 294.398 4.747 30 10 CJEE N#Cc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F 514260990 PRJMKPHMCHFNLZ-UHFFFAOYSA-N 283.199 4.522 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCCOC1)NC 689485075 MPJJICIEZKGXQM-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)nc(C2CC2)n1 692241614 KEYQWBQRNBPGPG-WCQYABFASA-N 291.826 4.554 30 10 CJEE CCSc1cccc(NC[C@]23CCCC[C@H]2C3)c1C#N 693534548 MEEJUUXQDTXFRE-SUMWQHHRSA-N 286.444 4.662 30 10 CJEE Cc1ccc(N[C@H](C)CC2CCCCC2)c(C#N)c1 694650327 YWISMVIDBJFCSH-CQSZACIVSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(CC)CCCNC1 696479001 YYKUKVHBOJAYBG-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCC(C)(C)CCNc1ccc(C(F)(F)F)cc1C#N 696709620 ZASKHEACUAMQDE-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@H](C)CN 697010876 JAJCWPGLUSHQHK-DLBZAZTESA-N 271.489 4.643 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccccc1OC(F)F 701918546 HZHBJEMVWOWVHX-GFCCVEGCSA-N 283.362 4.541 30 10 CJEE CCCCCCCN[C@H](c1ccc(OC)cc1)C1CC1 703718506 VEPPTNLBQQOIOT-SFHVURJKSA-N 275.436 4.706 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 704046499 KTZWCNYEPGPASG-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C(F)(F)F)c1 715718169 FSVCQNLBWZCLFD-SMDDNHRTSA-N 271.326 4.568 30 10 CJEE CC1(C)CCCCC/C1=C/B1OC(C)(C)C(C)(C)O1 719346553 JMFPDKUYPQVSDI-SEYXRHQNSA-N 264.218 4.535 30 10 CJEE C[C@@H]1CC(=O)C=C(CCc2cc(Cl)cc(Cl)c2)C1 722119721 MCHTZCYDTBKKTP-JTQLQIEISA-N 283.198 4.851 30 10 CJEE C=C1CCC(CNc2cc(Cl)c(OC)cc2OC)CC1 724565698 ICSLNAGTJCCMEQ-UHFFFAOYSA-N 295.810 4.516 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](c1cccnc1)C1CC1 793545826 CWNKYJJZZNAFCP-CRAIPNDOSA-N 272.436 4.647 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC1(F)F 821997362 SHHMOGUEFDAARM-RBSFLKMASA-N 271.395 4.536 30 10 CJEE Cc1cc(C)c(C=Nc2sc3c(c2C#N)CCC3)c(C)c1 1084513922 COZYPHYHJGKORY-UHFFFAOYSA-N 294.423 4.784 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1ccc(SCCC)cc1 1127849181 YSAMBABIDWHCPN-QGZVFWFLSA-N 292.444 4.834 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](C)CC1CCCCC1)c1ccccc1 1128435032 BEXTVMKXASLCDH-AEFFLSMTSA-N 299.458 4.821 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCCC[C@H]1SC 1182693897 KTWPEFBFINJHNI-BZUAXINKSA-N 269.498 4.775 30 10 CJEE CCC1(CC)CCCN(CCCCC(C)(C)C#N)CC1 1193430973 WFSVMOJEIAPVLD-UHFFFAOYSA-N 278.484 4.999 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C 1194410854 WPGGPAULJFJPML-SWLSCSKDSA-N 251.801 4.591 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cc(C)cc(F)c1 1215780553 MDAQQNVXFPCQCD-UHFFFAOYSA-N 292.398 4.782 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F 1258721776 FREOKLGQXZCDFM-NEPJUHHUSA-N 271.326 4.711 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@@H](C)CC[C@H]1C 1308806144 NHGDLFSIIFZKNC-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=C(CC)CN[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1308819234 ZIDZHXPAYYARMS-RDJZCZTQSA-N 277.839 4.922 30 10 CJEE C=CCCc1ccccc1NC(=O)NC[C@@H](C)C(C)(C)C 1310625587 ZFTHEMRUDIQRMB-CQSZACIVSA-N 288.435 4.609 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CCC1 1356198239 QISQCPUAFUCEIT-KRWDZBQOSA-N 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30 10 CJEE CCCC(C=O)(CCC)CN(C)CC1CCC(C)CC1 2172250883 ZZXZWDUSMJVYEK-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCC[C@@H]2CC[C@H]21 2172402517 LKYXYXKNONABSU-BRWVUGGUSA-N 295.536 4.767 30 10 CJEE CCC1(CC)CNC(=NCC2(C)CCCCCC2)SC1 2172659824 KTBRVUAHGINMIG-UHFFFAOYSA-N 296.524 4.846 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@]1(O)C[C@H]2CCC[C@@](F)(C2)C1 2175562160 IEALIWMFHHDSQS-YLFCFFPRSA-N 281.415 4.520 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccc3sncc3c2)CC1 2177207967 WECMMDQDVOORFV-UHFFFAOYSA-N 284.428 4.949 30 10 CJEE CN(c1cc(Cl)c(C#N)cc1F)[C@@H]1CCCC(C)(C)C1 2177387852 MKCFSJMJOHNOGH-GFCCVEGCSA-N 294.801 4.756 30 10 CJEE CCCCC1CC(N=C2NC3(CCCCC3)CCS2)C1 2180053478 UPOCTXIMXAUKEB-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE N#CC1([C@H](O)C2CCC3(CC2)CC3)CCCCCCC1 2182858172 OGXCWQLDFXYYKN-MRXNPFEDSA-N 275.436 4.572 30 10 CJEE CCSc1cccc(OCC[C@@]23CCC[C@@H]2C3)c1C#N 2182994106 QRKKCGVVJAYOFF-CXAGYDPISA-N 287.428 4.629 30 10 CJEE CCCCCCCC[C@H](CC1C[C@@H]2CCC[C@H]2C1)NN 2183429026 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30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)SC1 2223847674 HFTPKQFNVPWOLO-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE C=CCC[C@@](C)(N)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2225276090 OHBJFFJYAXZWDK-JALIKCBVSA-N 271.395 4.522 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225337896 TXUZSTYDDNHIAT-MLHJIOFPSA-N 263.469 4.785 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2C)c(F)cc1Cl 2226386168 DNEQQXZBTXEQSQ-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC[C@H]2CSC[C@H]21 2227268392 PEHQECUSGJFONC-BBWFWOEESA-N 282.493 4.797 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](CCC)OC 2227274144 UUBAUGKNQJBTHM-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCCC1(F)F 2227282085 UYKMYNIUTRNKFS-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1 2227284557 ICISFAVVWDBGHH-MRXNPFEDSA-N 280.843 4.761 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CC[C@H](CC)C1 2227286128 MAOQLEBZVMRFMX-BBWFWOEESA-N 266.473 4.561 30 10 CJEE C[C@@H]1C[C@@](C=O)(CCCCCCCC2CC2)[C@@H](C)O1 2230875538 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PLGUJGDGDQEAHJ-GJZGRUSLSA-N 287.394 4.817 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CCCC(F)(F)F 2240638478 UXIDLXLSUFXENU-KGLIPLIRSA-N 297.405 4.548 30 10 CJEE C[C@@H](CCS)CCSCC12CCC(CC1)C2 2245387675 ZYKJVAGAQBIYKA-HSBZDZAISA-N 258.496 4.646 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](C)SC 2252952119 BSVNZHFFFZJSMQ-CABCVRRESA-N 259.503 4.857 30 10 CJEE N#CC1(Sc2ccc(Cl)cc2)CC2(CC(F)C2)C1 2254450377 SNEYPNQYHGHXSP-UHFFFAOYSA-N 281.783 4.607 30 10 CJEE C#CCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2258577575 CTOVEWSDHMVYHX-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE CCCCCCCC[C@H](O)c1csc(C)c1OC 2259143175 WFAJTQIXZYIFJS-AWEZNQCLSA-N 270.438 4.849 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCC1(C)C 2259231839 QPIMKIOSNPMMPS-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1SCC1CC(C(F)(F)F)C1 2271700460 CPIICIQRZAASHD-MVKMKZAISA-N 291.382 4.781 30 10 CJEE C=C(C)CCCCN(C)[C@@H]1CCCC[C@@H]1C(F)(F)F 2271751594 YPDFUDYOJWFEAG-UONOGXRCSA-N 277.374 4.786 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)NCC 2271780522 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CCN[C@H](CC=CC#CC(C)(C)C)c1sccc1CC 2284090409 DYAKYULTICRZMM-MRXNPFEDSA-N 289.488 4.957 30 10 CJEE CC(C)(C)C#CC=CCc1ccc([C@H]2CC2(F)F)cc1 2284094736 IZZCRLZJXDPDMQ-MRXNPFEDSA-N 274.354 4.957 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCC1(C)C 2284184504 GJNUTPXQMRCGPD-DLBZAZTESA-N 275.480 4.787 30 10 CJEE C=C(C)CCCC[C@@H](O)C1(c2ccccc2)CCCC1 2287392235 LNXJYBLZRGATPY-GOSISDBHSA-N 272.432 4.996 30 10 CJEE CCC1CCC(C#N)(c2ccnc(C(C)(C)C)c2)CC1 2289227125 SJTWGFBWPQUDEB-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C[C@@H]1CCCC[C@@]1(CC#CC1CCCC1)CNC1CC1 2289923863 DUSSYNAOZXTXPN-VQIMIIECSA-N 273.464 4.519 30 10 CJEE CC(C)[C@H]1SC(=NCC2CC(CC(C)(C)C)C2)N[C@@H]1C 2290035675 ZHNIABDTVLQOOD-XSCHDIRWSA-N 296.524 4.554 30 10 CJEE CC[C@@H]1NC(=NCC2CC(CC(C)(C)C)C2)S[C@H]1CC 2290039938 LCQOFCYSJIBGCE-WUCCLRPBSA-N 296.524 4.698 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@H](C)C1CCC1 2290876280 CZQFJVCVBMJPFE-GDBMZVCRSA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCC(=O)O)C(CC)(CC)CC 2292317993 HLACIPDQTUOXML-GOEBONIOSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1cc(C)cs1 2293113056 AGHUPPIKCCDHRL-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE C=CCCCCCC[C@](C)(OCCCN)[C@@H]1CC1(C)C 2294017784 HYSDXFJGJYKKGG-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C=CCC1)OCCN 2294123982 UUJPMPKYBNEHIE-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@@H]2CCC[C@H]21 2294567254 FGYPCTGJKDWKGK-KSZLIROESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@](C)(C(F)(F)F)CO1 2295537083 VQVUJRXPQQDOQD-ZIAGYGMSSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](N)CCN1[C@H](C)CC 2295679068 MEKIXKVYBSDRTG-KZNAEPCWSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C1CCCCC1 2295679960 UYGJEEVRCJABNA-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2(COC)CC(F)(F)C2)C1 2295749950 RIABRUKYUHWZPX-ZIAGYGMSSA-N 285.378 4.549 30 10 CJEE C=CCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2306243175 IMGCIYGWJTVGMJ-UHFFFAOYSA-N 276.182 4.531 30 10 CJEE C=CC[C@@H](C)Sc1nc(Cl)nc2sc(CC)cc12 2313626677 KRBMKBXMLJOGHX-MRVPVSSYSA-N 298.864 4.964 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Cl)cc1CNC1CC1 2313697306 CGGBMTRIBGLTMX-LLVKDONJSA-N 281.852 4.649 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCc2sc(Cl)cc21 2315464440 BLZSDWZUHCFBSO-RAIGVLPGSA-N 281.852 4.723 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccc(F)c(C)c1Cl 2316582821 CUWDBXVNHOKGRA-BONVTDFDSA-N 269.791 4.650 30 10 CJEE C=C(C)C[C@H](C[C@]1(C)CCCC1(F)F)NCCC 2319290241 DKSCBPQTNAYSAP-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C)C(=O)OCC[C@H](C)CCC=C(C)C 2321221904 FBAYIODCEDNZMG-CABCVRRESA-N 252.398 4.514 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(Cl)c1 2321226344 WGHMLPOUSHEMRP-GJZGRUSLSA-N 287.230 4.889 30 10 CJEE Cc1ccc(Cl)cc1OCC1(CS)CC(C)(C)C1 2321741081 JTBFTLFCBJXQJE-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE C[C@H]1C[C@H]1CCCCOCC1(CS)CC(C)(C)C1 2321756832 LEDJDSNUBJZUDB-UONOGXRCSA-N 270.482 4.566 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2cc(F)c(Cl)cc2Cl)O1 2325175352 LUPVEXYSRSLLEW-ISVAXAHUSA-N 288.149 4.656 30 10 CJEE CCCC#CC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2325240717 GIGWUZSAFBPQOD-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CC(C)c1ccc(C(=O)CON=C2CCCC[C@H]2C)cc1 2329917611 IMLXPUDTDZMSAI-CQSZACIVSA-N 287.403 4.575 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(C)(C)C 2332713927 LKKPTNJRPRDAJC-BZUAXINKSA-N 268.489 4.641 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H](C)CC1CC1 2335188568 RQLBKXNFMIFUBI-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)cc1CNC1CCC1 2335249218 WBKCBCIYZRBUAL-CQSZACIVSA-N 275.461 4.694 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)ccc21 2337095325 ZJSIURDERHSWDO-JLZZUVOBSA-N 275.823 4.662 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338787468 NSNAJOSWBJZBRO-WNRNVDISSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)[C@H](C)C(C)C 2340130677 AZNREAJGKCSAQQ-ZACQAIPSSA-N 270.505 4.887 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccccc1C1CC1 2341744593 LXBOUHWIBCGNRM-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE C=C(C)C[C@H](NCC)c1cccc(C2CCCC2)c1 2341923858 RJBMYITYSQTXAA-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCC(F)(F)C1)NCC 2344374649 JNIBJKCIZOGICH-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1nc(C)c(C(C)(C)C)s1 2344406842 SWPXARORNQQGMR-INIZCTEOSA-N 279.449 4.924 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCC[C@H]1C1CCC1 2352101898 WYVDJCHMWSIEIT-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE C#CCCCCCCC(=O)Nc1c(C)cccc1Cl 2352589138 DUTBEACVUPDBAM-UHFFFAOYSA-N 277.795 4.561 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cccc(SC(C)C)c1 2352910184 YVYLVLXTBQSJEZ-IAGOWNOFSA-N 275.461 4.804 30 10 CJEE C#CCCCCCCC(=O)N[C@@H](C)c1ccc(Cl)s1 2352954692 VJQOBFDMYFMKNM-LBPRGKRZSA-N 297.851 4.553 30 10 CJEE CCCCCCCCCCCCOC[C@H]1[C@H]2CN[C@@H]1C2 2358070317 ZBQKHPONSYWOJR-FGTMMUONSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)[C@@H](C)CC1CC1 2360338371 URGWDXPNTCCTLO-JQHSSLGASA-N 283.500 4.512 30 10 CJEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 36973375 LYSAFJUIHBXRSU-INIZCTEOSA-N 288.753 4.914 30 10 CJEE CCc1cccc(OCCCC(C#N)(CC)CC)c1 57714544 MIFYKJQAWNALRW-UHFFFAOYSA-N 259.393 4.738 30 10 CJEE N/C(=N\c1c(Cl)cccc1C(F)(F)F)C1CCCC1 62988041 FJKWWCDFKXXFSF-UHFFFAOYSA-N 290.716 4.538 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 86942433 CTXTXEUZOCGXPE-JKSUJKDBSA-N 286.419 4.750 30 10 CJEE CCC1CCC(C#N)(Cc2ccc3c(c2)CCC3)CC1 87933660 WOBJFRDYCUPEKD-UHFFFAOYSA-N 267.416 4.828 30 10 CJEE C=C(C)C[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 92129353 BQMMUDXOGWZBQT-KRWDZBQOSA-N 273.464 4.698 30 10 CJEE SCC1(COC/C=C/c2ccccc2)CCCCCC1 94582262 BKPHCHXIRMRIHG-DHZHZOJOSA-N 290.472 4.987 30 10 CJEE CCCCCCCCCCCCOC1CCNCC1 103945561 GFPPYDXGUXQVEH-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1 104724299 LAQDMCUFYQFRQI-QXMHVHEDSA-N 271.747 4.539 30 10 CJEE CCCCCCCn1cc(CCCO)c2cc(C)ccc21 107040434 GWPSGXFQBVUOBF-UHFFFAOYSA-N 287.447 4.845 30 10 CJEE CCCCCCCO[C@H](CNC1CC1)c1ccccc1F 110067680 MKCZYULGFZIACN-GOSISDBHSA-N 293.426 4.606 30 10 CJEE Cc1ccc2nc(Nc3ccc(C#N)cc3Cl)sc2c1 110251815 MCMOMLOXDJNHBZ-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C[C@@H]1CCC[C@H](SCCCOc2cccc(C#N)c2)C1 110354846 DSMPVFBFQDVOOO-PBHICJAKSA-N 289.444 4.639 30 10 CJEE CCCCCCCCCCCCn1cc(C)c(N)n1 112216378 SHNCSTSUVUYUSW-UHFFFAOYSA-N 265.445 4.695 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1nc(C)cs1 112978726 JNYKPTWMQDYGFF-TZMCWYRMSA-N 268.470 4.851 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(F)cc1F 114782660 VBIQCTVEANZGSQ-MRXNPFEDSA-N 283.406 4.975 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 115651878 TXGVPPCICJWVIK-AWEZNQCLSA-N 298.810 4.505 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCOc2ccccc21 115844291 ROJHIIFQYVRJSM-WBVHZDCISA-N 275.436 4.631 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CSCCS1 125187015 KJVJZHRLYSYIOG-CABCVRRESA-N 289.554 4.564 30 10 CJEE CCCCCCCCCCNC(=N)Nc1ccccc1 129383038 LAYYPTXKCAEONE-UHFFFAOYSA-N 275.440 4.764 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@@H](C)OC)NN 130764582 QLOLBDYPTPYDAC-IAGOWNOFSA-N 286.504 4.554 30 10 CJEE C#CCCCC(=O)Cc1c(C)cc(C(C)(C)C)cc1C 133929069 VDAPBWDXGKUKEC-UHFFFAOYSA-N 270.416 4.516 30 10 CJEE CSc1cccc(S[C@H]2CCC[C@H](C)C2)c1C#N 136995221 PFVDDBCBKUPOQW-RYUDHWBXSA-N 277.458 4.951 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(C)cc1F 159024147 HJKINGAJZXJEBE-INIZCTEOSA-N 251.389 4.885 30 10 CJEE CCCCCCCCCC[C@@H](N)C1[C@H]2CCC[C@H]12 162296297 AANUVQOAYFYJNH-HRCADAONSA-N 251.458 4.891 30 10 CJEE N#C[C@H](Sc1ccc(F)cc1)C1CCCCCC1 167876013 WPJONNNHTFAUMC-HNNXBMFYSA-N 263.381 4.780 30 10 CJEE CCCCCCCC[C@H](Cc1ccn([C@@H](C)CC)n1)NC 168396739 FCXBBTXWJKCWFJ-DLBZAZTESA-N 293.499 4.735 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Cl)cc2c1OCC2 228436005 VVUYZUTVKUTTOL-OAHLLOKOSA-N 282.811 4.669 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)C2)cc1 231003890 WNJHPZKGIOQZKW-WBVHZDCISA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCC(=O)C(F)(F)C(F)F 232915045 FXVIXIFHBXWTCP-UHFFFAOYSA-N 270.310 4.987 30 10 CJEE CCC1(CC)CCN(CCCCC(C)(C)C#N)CC1 232948834 RCUFKTANHCZCLM-UHFFFAOYSA-N 264.457 4.609 30 10 CJEE C=CCCCCC[C@@H]1CCCC[C@@H]1CNCCC 233094735 ZSQHTIDLLOUSON-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@H](N)c1cc2c(s1)CCCC2 236303931 VQOGZXHVZYEPJD-AWEZNQCLSA-N 263.450 4.763 30 10 CJEE CC(C)(C)[C@@H]1CCCN([C@@H]2CCCCC[C@H]2C#N)CC1 250708773 QUBUZQFRUWKANJ-GVDBMIGSSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCN1CC[C@]2(O)CCCC[C@H]2C1 250830139 QNZNPOKIHNXVEP-RBUKOAKNSA-N 295.511 4.754 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](C)CC[C@H]1C(=O)O 250841398 YBCUNVQEUZSLAC-RRFJBIMHSA-N 254.414 4.874 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCCC)[C@]1(C)CC 250843464 ZCBOSZSMVOADQO-KURKYZTESA-N 283.500 4.920 30 10 CJEE C[C@@H]1CCCN([C@@](C)(C#N)Cc2ccc(C(C)(C)C)cc2)C1 253619879 ZTEVTAMKHDXJPW-OXQOHEQNSA-N 298.474 4.541 30 10 CJEE C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C(C)C 305932587 KAMDCQWRILICBZ-LSDHHAIUSA-N 284.230 4.692 30 10 CJEE C[C@@H]1CCCC[C@]1(C)Nc1cccc(Cl)c1C#N 308722797 FWXNUGOVDKAKAT-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE C=C(CC)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 313484318 PVGJWQNVEJAEPA-VIFPVBQESA-N 276.182 4.749 30 10 CJEE C=C[C@H](C)[C@]1(CNCC(C)C)CCC[C@H](CC)C1 318258965 JAUVUTGUFBPJIG-YESZJQIVSA-N 251.458 4.641 30 10 CJEE C[C@@H]1CC[C@H]([C@]2(C#N)CCc3ccccc3C2)C[C@H]1C 380300347 SKATTYIVWJSVTD-VVWQDTPRSA-N 267.416 4.758 30 10 CJEE Cc1ccoc1CN(C)CCCCCCCCCS 382139279 DCOPERDLLXAWRP-UHFFFAOYSA-N 283.481 4.680 30 10 CJEE C=CCCCCCCN[C@@H](C)c1cc(F)ccc1F 382199896 LWLRGBFLJGSLTG-ZDUSSCGKSA-N 267.363 4.752 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Br)s1 384898831 WBEIURMROJMMCK-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CCCCCCC[C@]1(F)CCC[C@H]1[C@H]1CCCCN1 385929745 BGZAIPVLQQKFRI-BBWFWOEESA-N 269.448 4.997 30 10 CJEE Cc1ccc([C@H](C)N(C)[C@@H]2CCCCC[C@@H]2C#N)s1 387462653 XFAVDHAHEQYCAR-RRFJBIMHSA-N 276.449 4.522 30 10 CJEE CC(C)NC[C@H]1CCCCC[C@H]1CC#CC(C)(C)C 388881843 JKTMLSIDZFLNBV-DLBZAZTESA-N 263.469 4.621 30 10 CJEE CO[C@H](CC1(C#N)CCC(C(C)(C)C)CC1)C1CC1 400189599 VTWSFQUQELWDDA-ISXOHVOVSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@@H]1CCOC1 400637857 OXZPIBGLFVREJM-DLBZAZTESA-N 270.457 4.695 30 10 CJEE CC(C)c1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1 512662690 ZPCOGTQGOBAEFP-ZDUSSCGKSA-N 282.362 4.994 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@H](C(C)(C)C)CC1 686676001 LWWUMIWZYOJDFY-FUHWJXTLSA-N 264.453 4.928 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1C[C@@H]1C(C)(C)C 686698941 PPWAAVIZCCYMQB-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE C=C[C@](C)(CNCC(C)C)CC(C)(C)C(F)(F)CC 691044451 NKMQGQIRCFJEBK-HNNXBMFYSA-N 275.427 4.886 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1cccc(SC)c1C#N 695153415 NWXXIQGVWXAXNZ-LLVKDONJSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CNCC1CC1 695439655 NCPSHVZLZHNUNE-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@@H](CNC1CC1)C1CCOCC1 696815729 BUXWKPNVORRYLJ-KRWDZBQOSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CCCCN1C 700194081 RFDGYZYAUVAMAM-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(C(F)F)c1F 701214253 FRTQBWVMDVYHNA-UHFFFAOYSA-N 268.278 4.837 30 10 CJEE CCC[C@H]1CCCCN(CC(CC)(CC)CS)C1 703283729 JYXHHAHGGOYWKG-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(OC(F)F)cc1 703723359 MCTVTRXACWMVKH-CYBMUJFWSA-N 285.378 4.909 30 10 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10 CJEE CC(C)C1CCC([C@]2(C)C[C@]2(C=O)C(F)(F)F)CC1 2138789712 SXXOQSSAKOANGW-CLRIEMFWSA-N 276.342 4.606 30 10 CJEE CCCCCC#CC[C@H](NCCC)C1CC(C)(C)C1 2138962395 FTPYLRANOGHVIY-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@]1(CN)CCCCC12CCC2 2138990412 LZVLIVHBYGDRKS-GOSISDBHSA-N 261.453 4.650 30 10 CJEE CCCC#CC[C@@]1(CNC(C)C)CCCCC1(C)C 2138992359 AJSMQDSSLLHJHW-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@H](CCC1CCCCC1)NC 2139000825 ISTAPOCGKDSVSY-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C#CCCCCC[C@@H](CC1CC(CC)C1)NCCC 2140881783 HSSYVUPAYLTESA-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@H](N)[C@](O)(CC)CCCCC 2141908313 MQXGMGTUSDAFON-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CCCCCCC[C@H](N)Cc1cccc(Cl)c1F 2141913874 MHOMMRJPFRTSAY-AWEZNQCLSA-N 283.818 4.876 30 10 CJEE C=CCCCCCCN(C)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2141922466 HVVYRIKSRPMMSP-ULQDDVLXSA-N 263.469 4.879 30 10 CJEE C=CCCCCCC[C@@H](O)c1c(Cl)cccc1OC 2141998920 IBFFBWHPBDTHEC-CQSZACIVSA-N 282.811 4.909 30 10 CJEE CCCC[C@H](C)CC[C@@H](N)CC#CC1CCCCC1 2142165721 SDKDGZABMPVVMP-WMZOPIPTSA-N 263.469 4.894 30 10 CJEE C=CCCCCCCCCN1CCS[C@@H]2CCC[C@@H]21 2142391064 AQRPYVYBZKVXAJ-DLBZAZTESA-N 281.509 4.873 30 10 CJEE C=CCCCCCCCCCO[C@H]1CC[C@@H](N)CC1 2142444039 PEPKGEACEYZOAV-CALCHBBNSA-N 267.457 4.580 30 10 CJEE CCCCCCCC[C@H](N)c1cccc([Si](C)(C)C)c1 2143810759 CKGDYBNFDFLHSA-SFHVURJKSA-N 291.555 4.982 30 10 CJEE CC(C)(C)C1CCC(Oc2cccc(F)c2C#N)CC1 2144710121 DLOVCLHZGWTESM-UHFFFAOYSA-N 275.367 4.681 30 10 CJEE N#C[C@@]1(C[C@H]2CCCc3ccccc32)CCC(F)(F)C1 2146987825 XSLKKFLFXMYPDJ-GDBMZVCRSA-N 275.342 4.826 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1(O)CCCCCC1 2147732933 YURKUEBLDVLQMU-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)c1c(C)csc1C 2147854148 MCEVMPSGYBTQKF-DOTOQJQBSA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@@H](NC)[C@](C)(O)c1sccc1C 2148580179 WHOCONCONAGJQA-WBVHZDCISA-N 297.508 4.603 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)c1sc(C)cc1C 2148582916 NQADZVWIQJJNJA-HOTGVXAUSA-N 297.508 4.737 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](O)(CCC)C1CCC1 2148590921 WBTXWBIVTFXWPR-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE N#C[C@]1(CCSC2CCCC2)CCCc2ccccc21 2149126568 HVVDJYICDJXLOX-GOSISDBHSA-N 285.456 4.850 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)C1(C(C)C)CC1 2149858100 OZOUTNUEERIALZ-SFHVURJKSA-N 275.480 4.765 30 10 CJEE N[C@@H](CC#CC1CCCCC1)c1cc(F)c(Cl)cc1F 2149858985 UMAHDRDTLGMDSS-INIZCTEOSA-N 297.776 4.592 30 10 CJEE O=C(CC#CC1CCCCC1)c1ccc(C2CC2)cc1 2149863444 AWIKYQMDIACUJO-UHFFFAOYSA-N 266.384 4.721 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1cccc2sccc12 2151194508 YNBFFAYRFYKHHS-WBVHZDCISA-N 291.460 4.623 30 10 CJEE CC(C)(C1CCCCC1)[C@H](O)C1(C#N)CCCCCC1 2151478058 RWEFPUVUFXMXHT-INIZCTEOSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@H](C[C@@H]1OCCCC1(C)C)NCC 2154755696 IMAOAELCIWVDLY-SJORKVTESA-N 283.500 4.920 30 10 CJEE CC(C)(C)C[C@H]1CNC(=NCCC(C)(C)C2CC2)SC1 2156335939 PCGYLZFCQPVJSL-ZDUSSCGKSA-N 296.524 4.558 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1ccc(-c2ccc(F)cc2)o1 2158316580 PWMRNNZCHNSZII-SJKOYZFVSA-N 274.335 4.721 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(OC(F)F)cc1 2158320816 OQPHSOBCFUVRAS-IUODEOHRSA-N 283.362 4.541 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CNCC1(C)C 2158373411 WLFTVQFKHPNXLY-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCN[C@H]1CCCN(C(C)C)C1 2158646234 UHNXAYXSGJKIER-SFHVURJKSA-N 282.516 4.590 30 10 CJEE C=C([C@@H](NCC)c1c(C)oc2ccccc12)C(C)(C)C 2164255651 SXEVGTREHLICAA-QGZVFWFLSA-N 271.404 4.994 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(OCCC)cc1 2164262792 AXHIQHBNHQWPDM-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1nc(C)cn1C 2166635366 PBAKKGHYYRSVBI-MRXNPFEDSA-N 280.456 4.683 30 10 CJEE CC(C)(C)[C@H](C[C@H](N)CC#CC1CCCCC1)C(F)F 2167679949 UCZZRDUKMYNZJZ-HUUCEWRRSA-N 285.422 4.605 30 10 CJEE CCC1CCC([C@H](C)Nc2ccc(C#N)c(F)c2)CC1 2168398951 XAWQUQYHTSUCIT-HSBZDZAISA-N 274.383 4.714 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(C#N)Nc2cccc(F)c2)C1 2168592238 OGRGVOCIOAMNIG-DYVFJYSZSA-N 274.383 4.736 30 10 CJEE C=CC(C)(C)CO[C@H]1CC(CC)(CC)CC[C@@H]1NCC 2171362656 LAWSEUCBSMLSOI-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)c(OC)cc1C 2173291063 VBJUPXZLZPJHDE-SUMWQHHRSA-N 275.436 4.565 30 10 CJEE CC[C@H]1C[C@@H](C)SC(=NCC2(C)CCC3(CC2)CC3)N1 2176592846 AVPDRCITIBSMEI-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC(=O)C1(O)CC2(CC(C)(C)C2)C1 2181551863 NIDBVWBIBYINPC-UHFFFAOYSA-N 280.452 4.637 30 10 CJEE CC[C@@H]1CC=C(C(=O)C2(c3ccccc3)CCC2)CC1 2181664519 YZWSQUUUHRMIMI-OAHLLOKOSA-N 268.400 4.814 30 10 CJEE CCC(CC)(CC)CN(C)C[C@@H](C#N)C1CCCCC1 2182265350 VQGFLYGZCYNIMF-QGZVFWFLSA-N 278.484 4.855 30 10 CJEE CC[C@@H](CCC(C)C)N(C)c1nc(C)c(C#N)cc1Cl 2186004524 CNNVHSSSSMZCQH-AWEZNQCLSA-N 293.842 4.566 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCOC[C@H]1F 2186815419 IGSBUDHXCXOBNU-SJORKVTESA-N 288.447 4.787 30 10 CJEE CC(C)(C)NC[C@H]1CCCCC[C@H]1CC#C[Si](C)(C)C 2187468204 LVPXDCDGHINEJJ-DLBZAZTESA-N 293.571 4.842 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCCc2sccc21 2194059151 MGUUPNCMDRXXGH-WBVHZDCISA-N 289.488 4.730 30 10 CJEE CC#CCCC[C@@H](NCCC)c1ccc(Cl)c(OC)c1 2194063591 LELHDVUADSAVQM-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CCCCCCCCN(C)[C@H]1CCO[C@H](C(C)(C)C)C1 2195482183 CTJQDXYOXUGZFT-IRXDYDNUSA-N 283.500 4.872 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CC[C@@H](COC)C1 2195676285 INYYCTNGHSKJRS-MSOLQXFVSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)N(C)C1=O 2195921826 HCSGAISQKBGBJZ-MRXNPFEDSA-N 282.472 4.663 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1cc2ccccc2s1 2196068837 OUNMZUFNPGYTLV-IYBDPMFKSA-N 283.440 4.974 30 10 CJEE CCCCCCCCN(C)[C@@H](CN)C(CC)(CC)CC 2196740970 JNMJYLCAFUIAGB-KRWDZBQOSA-N 284.532 4.822 30 10 CJEE C#CC[C@H](C[C@@H](C[C@H](C)C(C)(C)C)NCCC)C1CC1 2196835734 DYHJCKQKYZPANU-CGTJXYLNSA-N 277.496 4.867 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C(F)(F)CC1CC1 2197139452 JJQYANCPYVJYCD-MRXNPFEDSA-N 279.374 4.503 30 10 CJEE C=C(c1ccccc1)[C@H](CC1CCSCC1)NCCC 2197140436 TWCRMVXJGXRZBN-SFHVURJKSA-N 289.488 4.601 30 10 CJEE C=CCOc1ccccc1[C@H](NCCC)C(=CC)CC 2197850095 WGZISDDOHKSSGK-GOSISDBHSA-N 273.420 4.648 30 10 CJEE Cc1ccc(N[C@H]2CCC[C@H](CC(C)C)C2)cc1C#N 2199336961 LXDJJWKBNDEOEE-WBVHZDCISA-N 270.420 4.884 30 10 CJEE C=CC1(CNC[C@H]2C[C@H]2c2ccccc2)CCCCC1 2200287427 GPDZQWFHCCMPMH-MSOLQXFVSA-N 269.432 4.516 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H]2C[C@@H]2C2CCCC2)C1 2200333143 ULHACZSXOUHUFB-ZWKOTPCHSA-N 275.480 4.785 30 10 CJEE N#Cc1ccccc1OC[C@H]1C[C@H]1C1CCCCCC1 2200495791 AMGGJGQZCZELCZ-SJORKVTESA-N 269.388 4.544 30 10 CJEE CC[C@@H](C)[C@H]1CSC(=NCC2(C)CCCCCCC2)N1 2201220036 ZJRZIDQMOODXJU-HUUCEWRRSA-N 296.524 4.844 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccccc1CCC 2203787242 KFRUDNPZILCCKA-IBGZPJMESA-N 271.448 4.873 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2203788979 AAHGPYXTXVLHRU-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCC#CC[C@@H](NCC)c1ccccc1C(F)(F)F 2203789211 BGCDSRDCFBHCRO-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE CCCCCC#CC[C@H](N)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2203811393 WEAATTRZVLFNEH-HCXYKTFWSA-N 275.480 4.894 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccccc1CC 2203821124 ZUUKPSFRYBMEKM-IBGZPJMESA-N 271.448 4.873 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CCC3(CC3)CO2)CC1 2205213337 DHNZXMOVKMCOLH-PQUAAJSLSA-N 275.436 4.692 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(C(F)(F)F)n1 2206883939 DLTFCTUFBFINNX-GFCCVEGCSA-N 286.341 4.627 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1CCCO1)NCCC 2206886531 RPJALVUCDJQEDZ-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@H](NC)[C@](C)(O)[C@H](C)CC(C)C 2206898895 JJOWQDDYHBZTAQ-FGTMMUONSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCCN[C@H](C)Cc1ccncc1 2207395035 BKTRSDRIGSJVRS-QGZVFWFLSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCCCCOC[C@H]1CNCC1(C)C 2207424528 GHTKEOGBVDOZIB-QGZVFWFLSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCCCN[C@H](C)[C@@H]1CCCCO1 2207426156 YDJNYSXBZJERSR-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C1CC(F)(F)C1 2207441164 GTGDRXCISLOTNT-OAHLLOKOSA-N 288.426 4.561 30 10 CJEE CCCCCCCc1cnc(Nc2ccccc2)nc1 2207452478 YYCCAFSNYZRSTF-UHFFFAOYSA-N 269.392 4.733 30 10 CJEE C=CCCCCCCCN(C)CC(C)(C)CCF 2220296360 JYIMSVBNLAGLMW-UHFFFAOYSA-N 257.437 4.831 30 10 CJEE C=C(C)CC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2220768257 PDXFVTLKXZQUDV-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE CC(C)C1CCC(C=O)(C[C@]2(Cl)CC2(C)C)CC1 2222063472 JPZQIVCPAKWQKA-AVVWSFFYSA-N 270.844 4.816 30 10 CJEE CCCCCCCCCCOCCC[C@H](C)NC 2223216047 QKOZRCJGGMHYPE-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCO[C@H]1CC(=O)C1(C)C 2223243578 VKHDGAGHPLEMBX-HNNXBMFYSA-N 254.414 4.511 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1CCC(C)(C)CC1 2225414153 BEPUMDQICXHHCV-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC(F)(F)c1csc([C@@]2(C#N)CCCCC2(C)C)n1 2226438938 OBNLEYQXPHTBPK-AWEZNQCLSA-N 284.375 4.616 30 10 CJEE CCCCCCCCC[C@@]1(C(=O)O)CCC[C@@H](C)O1 2226866915 RWLOLCQVBPSTPP-ZBFHGGJFSA-N 270.413 4.540 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@H]2[C@H]1C2(F)F 2227268273 OFGPXTPVWZWKSN-AJNGGQMLSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NC 2227283116 MRHMFSKIDLFQEV-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2227286149 WSJYFJQCYWWVDV-WOYTXXSLSA-N 262.437 4.556 30 10 CJEE CCCCCC#CC[C@@]1(N)CCC[C@H](C(C)(C)C)C1 2229816502 KQMWZEGLFHWEOF-FUHWJXTLSA-N 263.469 4.894 30 10 CJEE C=C[C@@H](CCCCC)OCCCCCNC(C)(C)C 2231008620 KQDRECJTNUVLQN-INIZCTEOSA-N 269.473 4.696 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(C2CC2)nc(Cl)n1 2231043156 WHXMSTOKKBARRT-GFCCVEGCSA-N 280.799 4.521 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(Cl)cc1C 2231518457 PBPLTNLCOZJGBA-RHSMWYFYSA-N 279.855 4.771 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2231557572 FRPPIKQXLMPZLG-LHHMISFZSA-N 263.469 4.783 30 10 CJEE C=CCCCOc1c(Cl)cccc1CN[C@H](C)CC 2231565043 LVMKFESXAADDCD-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccnc(C)c1C 2231901163 AKPBNVOTPSHHHQ-KRWDZBQOSA-N 263.425 4.657 30 10 CJEE CCCCCCC[C@@H](C)NCc1cc(Cl)cnc1OC 2232911479 ANKOMXAFZVNQGF-CYBMUJFWSA-N 298.858 4.582 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2ccc(F)c(Cl)c2)CCCC1 2233363945 IWMQRVXUQLBJPP-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@H](CC)c1ccccc1 2233790110 ICKANVVMMPCFFB-QZTJIDSGSA-N 271.448 4.598 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)CC1CCCCC1 2235526398 KKSUOZHJNPUESS-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@H]1CCC[C@H](C)C1 2235539814 RCEJPRAUGTTYOF-XYJFISCASA-N 280.452 4.659 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)CC1(C)CC(C)(C)C1 2236607464 SHVKPEKASLVLMQ-JKSUJKDBSA-N 283.500 4.642 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccnc(F)c1 2237264313 XLRLVIUWAAXUID-INIZCTEOSA-N 279.399 4.951 30 10 CJEE C=CC1(CN(C)C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 2238866571 IXMNWEZJISUVKX-KURKYZTESA-N 275.480 4.881 30 10 CJEE N[C@@H](C#Cc1cccc(Cl)c1)c1cccc2ccsc12 2239559403 QEJZCFPVCDTHAF-INIZCTEOSA-N 297.810 4.606 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cnc(OCC)s1 2239786074 XBMJGAKEIGMDCG-AWEZNQCLSA-N 297.464 4.882 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1cccc(Cl)c1 2240637713 LUTVTXIVBOCFFI-IAGOWNOFSA-N 297.870 4.841 30 10 CJEE C=CCC[C@@H](NCCC)[C@](C)(O)CCCCCCCC 2240640217 OAZRHWYZUZTXHI-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CC[C@H](N(C)C)CC1 2240657527 MJQQRIVOQROHQP-KZNAEPCWSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC1CC(C)(C)C1 2240665547 DPJRPPOTXXWRJM-SFHVURJKSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H]1C[C@@H]1CC)NC 2240666041 JHGLZRKRCHGBNO-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=CCCCSc1ccc(Br)cc1C(C)=O 2244584997 ZHRPUXVJKQRSTI-UHFFFAOYSA-N 299.233 4.710 30 10 CJEE Cc1ccc(C)c(OCCCCCCCS)c1 2252623649 RAGSSMFXLHMUPY-UHFFFAOYSA-N 252.423 4.563 30 10 CJEE Fc1cc(F)cc(SCCCCCCCS)c1 2252642717 PKUBTKMJFFZBPF-UHFFFAOYSA-N 276.417 4.937 30 10 CJEE CCC(F)(F)CCSc1cc(Cl)c(C#N)cc1F 2256430347 PTEZYERFNSDNQU-UHFFFAOYSA-N 293.741 4.878 30 10 CJEE CCCCCCCC[C@H](N)C1CC2(CC(F)C2)C1 2259517744 WCKQEJJQDLAKNE-UFFJXHMVSA-N 255.421 4.593 30 10 CJEE CC1CC2(C1)CC(Sc1ccc(C#N)c(Cl)c1)C2 2260483437 RAHUHTKZIBAXOX-UHFFFAOYSA-N 277.820 4.882 30 10 CJEE CCCCCCC[C@@H](N)c1cnc(C(C)(F)F)s1 2260690208 TTYMFUXOUFSOCZ-SNVBAGLBSA-N 276.396 4.615 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCOCC 2263717329 GUUCSMXBGPXEDN-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C[C@@H](CCS)CCN(C)CC[C@H]1CCCCC12CC2 2264862902 KKCYGHVHXASELA-HZPDHXFCSA-N 283.525 4.625 30 10 CJEE CC1CCC(C)([C@@H](O)CC=CC#CC(C)(C)C)CC1 2268794466 TVVQCUWXPUOFLO-PQUAAJSLSA-N 262.437 4.560 30 10 CJEE C=CCCCCCCCS[C@H](C)[C@H](C#N)NC(C)C 2271518316 ZSLISBJLVQOBDE-CVEARBPZSA-N 282.497 4.525 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@H](CC)CCC(C)C 2272071178 YWMJQVCULLUIHJ-SJORKVTESA-N 269.473 4.528 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)C[C@H]2CC[C@H]1O2 2272348473 LAWVBIKGMNCDOM-YLFCFFPRSA-N 263.425 4.690 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C[C@H](C)CC(C)(C)C 2274119133 AFBAANFVXQGQBO-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CC(C)[C@@H]1CCC[C@@](N)(CC#CC2CCCC2)CC1 2274164449 KNFBCJRBPKHCSV-MSOLQXFVSA-N 261.453 4.504 30 10 CJEE CC=C(CC)[C@H](CCCCCCC)OCCC(=O)O 2275894931 MOCPFGBMYJWMOH-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C#Cc1ccc2c(ccn2C[C@@H](CC)CCCC)c1 2277791456 KODFNCIKWQVGJU-INIZCTEOSA-N 253.389 4.839 30 10 CJEE CCCCCCCCC[C@](C)(O)C(CC)(CC)CN 2278169509 QTAPYCOMQXSDGK-INIZCTEOSA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CCC)CCO 2278233285 HPSHHBNNIDXTSD-SJORKVTESA-N 271.489 4.656 30 10 CJEE CC(F)(F)c1csc(C(=O)C2=CCCCCCC2)n1 2278599776 KOZMBKNRTPSGML-UHFFFAOYSA-N 285.359 4.718 30 10 CJEE CC1(C[C@](C)(C=O)c2ccccc2)CC(C(F)(F)F)C1 2279322927 LZXLBFZKLYGNNF-YMAMQOFZSA-N 284.321 4.512 30 10 CJEE CCc1ccsc1[C@@H](O)C1(C#N)CCC(C(C)C)CC1 2283092485 SMTJYFMQBOXHQN-ARWYELJZSA-N 291.460 4.700 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCC23CCC3)cc1 2283544288 UHXWACKPXXFVHW-LJQANCHMSA-N 270.416 4.721 30 10 CJEE C[C@H]([C@H]1CC12CCC2)N(C)CC1(CS)CCCCCC1 2283745149 NEZGVWLGXXJTRE-HZPDHXFCSA-N 295.536 4.767 30 10 CJEE CCC[C@](O)(CC=CC#CC(C)(C)C)c1ccccc1 2284072010 ZSPZSDYFSQCZPX-IBGZPJMESA-N 270.416 4.670 30 10 CJEE CCNC[C@@]1(CC=CC#CC(C)(C)C)CCCC[C@@H]1C 2284081447 NRGGCPKMYWLXMY-PKOBYXMFSA-N 275.480 4.788 30 10 CJEE C[C@@H](C[C@@H](C)C(F)(F)F)N(C)CC=CC#CC(C)(C)C 2284175849 AEXXCFXQQQRDIL-KGLIPLIRSA-N 289.385 4.501 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1COC2(CCC2)C1 2284755850 FUFMBERSDRAQEB-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1COC2(CCC2)C1 2284833289 JGMOIBBRUUCKDY-QGZVFWFLSA-N 281.484 4.628 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C[C@H](C)C(F)(F)F 2289789691 HBSQVGHNCDKAKS-ZFWWWQNUSA-N 289.385 4.527 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CC(C)(C)C1CC1 2289851975 LGMULCJERPUKBV-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1CC[C@H](CC)C1 2289903572 CTCRJYGJICASOU-YTQUADARSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@H]1C)OCC(=O)O 2291305643 SCNNJMZJIKQHJZ-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)c1csc(C)c1C 2291421751 FPSIELLMZOGEAQ-HNNXBMFYSA-N 296.432 4.644 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1cc(F)cc(Cl)c1 2292801306 SPGZIMYYBHDWBD-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=CCC[C@@H](C)[C@@]1(OCCCN)CCCC(C)(C)CC1 2293138387 KBDLOINWHFOSEB-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1CC(C)(C)C1 2293345559 OBNHVFJBRVAGFH-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE C=CCCC[C@H](OCCCN)c1ccc(C(C)(C)C)s1 2293588541 RHGXUYSOEBQIQL-AWEZNQCLSA-N 295.492 4.808 30 10 CJEE CCCCC[C@@](CC)(CC#CC(C)(C)C)OCCCN 2294026886 NCAZULXDJXMMGI-SFHVURJKSA-N 281.484 4.521 30 10 CJEE O=C(C=Cc1cccc(Cl)c1)c1cccc(Cl)c1 2294299942 DLOUSFCJLZEVQJ-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE C=CCCCC[C@@H](OCCCN)[C@@H]1CCCC(C)(C)C1 2294404729 WATHHTXFNDCITP-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1[C@H]2CCCC[C@H]21 2294581998 FLYIKKSMLZWYMT-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCCC12CCCCC2 2294644835 FQTNAYRVWBBUEI-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@H](C)[C@](O)(CC(C)C)C(=O)O 2295530675 CAJXGRKSTGXEOW-NVXWUHKLSA-N 286.456 4.625 30 10 CJEE CCCCCCCCC[C@@](C)(OCCC1CC1)C(=O)O 2295597113 QYLQASRAGCNPIJ-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCC(=O)C=Cc1ccc(OCc2cccc(C)c2)cc1 2296515327 XRGQUCJKIIKGLL-UHFFFAOYSA-N 280.367 4.566 30 10 CJEE CCCCCCCC(=O)c1cc(OC)c(Cl)s1 2301930771 MOLZTDSMGCLVIK-UHFFFAOYSA-N 274.813 4.953 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1c(Cl)ccc(Cl)c1F 2304057282 VTVGPEBOZNUGKJ-SDBXPKJASA-N 276.182 4.605 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CCC2(F)F)CC1 2313733208 RPIDSULGAQLGLC-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1Cl 2315463204 OKEWLXJKVZXXEJ-ZENOOKHLSA-N 263.812 4.735 30 10 CJEE CCCCCCCOCCCCCCCNCC 2316114946 VVUQNIATRCUHKC-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE Cc1c(C[C@@]2(C=O)CC[C@H](C)C2)ccc(Cl)c1Cl 2316689898 FHQBCBJCUUOEQN-ZUZCIYMTSA-N 285.214 4.850 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H](C)[C@H](C)C(C)C 2321100507 CAXGPORMVPWXIH-TWMKSMIVSA-N 253.474 4.885 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc2sccc2c1 2321134950 RGKCJYKBTZLNPS-HNNXBMFYSA-N 259.418 4.764 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1C(F)(F)F 2333328497 VYWKUMRCHJCXME-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C=CCC(CC=C)NCc1ccccc1C(C)(C)C 2335195267 VZHXRSIHQBEBHS-UHFFFAOYSA-N 257.421 4.595 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)C1CCCCCC1 2335203876 PBYVVSTUZKJUPI-KRWDZBQOSA-N 281.509 4.799 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)cc1C 2337079156 MDJIKUOGNXBQBK-GRDNDAEWSA-N 261.384 4.530 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccncc1C(C)C 2338609494 ACMRTCFTLIJXIZ-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2338732567 KJBVMEFKMNKQQL-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE CCCCCCCCCC[C@H](N)C#C[C@H]1CC1(C)C 2339561505 AVGXYMGCLNDSJP-IRXDYDNUSA-N 263.469 4.894 30 10 CJEE CCCCCCC[C@@H](CCCC1=CCCCC1)NN 2341094473 UNVKWYNEBIUGHH-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE C=C(C)C[C@H](CCCCCOC(C)(C)C)NCCC 2341929881 QWHFLVLVINFJKZ-INIZCTEOSA-N 269.473 4.696 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cccc(C2CCCC2)c1 2344346108 PZXQRMAYOABREE-RDTXWAMCSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1C[C@]1(C)C(F)(F)F 2344374112 GFMXTDWHQAVGTD-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(C2CC2)cc1 2344382984 YZCDBNNYXXRIQB-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1nccc2sccc12 2344385455 PQFHXKGFPITNEI-IUODEOHRSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC2(C1)CC21CC1)NCC 2344397556 SPVHGCIHJRSGDA-CSLYMUCUSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(OCCC)cc1 2344398761 YMQROFUBENWRGX-KRWDZBQOSA-N 260.377 4.651 30 10 CJEE CCC[C@H]1CCCN(CC2(CS)CC(C)(C)C2)CC1 2345011700 VKPMOBLJEASKLC-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H]2CCN[C@@H]1C2 2355747193 APZNSVNGGBMRSM-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 2357291190 UJUFJSUXSBIZOJ-YGCRUPCOSA-N 285.456 4.811 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 2358322948 ZIOMFEQZEKPNGF-RYRKJORJSA-N 278.436 4.820 30 10 CJEE C=CCCCCCCCNC[C@H]1[C@H]2CCCC(F)(F)[C@@H]12 2358665760 MKHLDCRGAGMNDW-OWCLPIDISA-N 285.422 4.784 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2C[C@H]1CO2 2360180174 UARJLXHPNHCMOG-WNRNVDISSA-N 281.484 4.673 30 10 CJEE CCCCCCC/N=C/c1cc(Br)ccc1O 3162010 SIOREZDHWANQNB-LFIBNONCSA-N 298.224 4.544 30 10 CJEE C[C@@H](Nc1cccc(F)c1C#N)c1cccc(Cl)c1 26227117 OZYKNPPPZFFAHE-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C#Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1 36840819 IQPSQGNYHJOEMA-UHFFFAOYSA-N 281.786 4.679 30 10 CJEE CC(C)c1ccc(Nc2ccc(C#N)cc2F)cc1 36886499 ZPOSXPCUTHVTHR-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2C[C@@H](C)C[C@@H](C)C2)C1 37146241 RZXOMIUUZVYLFR-IGKNDFSCSA-N 290.495 4.709 30 10 CJEE CCCCCN(C)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37171583 PXWQVOZIAZSATL-QRVBRYPASA-N 284.447 4.584 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 37936840 FREYPFKRZWHXNQ-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE N#CC[C@H](Sc1ccc2c(c1)CCC2)c1ccccc1 55022629 ZVWHPRQQLRMTHU-SFHVURJKSA-N 279.408 4.922 30 10 CJEE Cc1ccc(OCCC[C@](C)(C#N)c2ccccc2)cc1C 57687509 HZVKFMZMEXKUAX-HXUWFJFHSA-N 293.410 4.944 30 10 CJEE Cc1cc(C)cc(OCC[C@@H](C#N)c2cc(C)ccc2C)c1 57695457 HTWKBHIQUXSMHW-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2ccc(N(C)C)cc2)cc1 57744139 QTKZTOUWXVOSAA-LJQANCHMSA-N 292.426 4.726 30 10 CJEE CCCc1nc2cc(Cl)c(Cl)cc2n1CCCC#N 57869269 MCJDVHBNDBESEL-UHFFFAOYSA-N 296.201 4.599 30 10 CJEE CCCCCCCCCNc1cc(OC)ccc1OC 59088828 OPRYACNAFKNFJF-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 71109300 OZIVTWIVQAOONI-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE Cc1ccc2c(Cl)c(CCC#N)c(C(F)(F)F)nc2c1 75894072 KRNPGJGFGNKRLU-UHFFFAOYSA-N 298.695 4.672 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCC[C@H](C2CC2)C1 81642644 UFGBGZQTQGONDJ-BBRMVZONSA-N 274.795 4.614 30 10 CJEE CC(C)(C)C1CC(C#N)(c2ccc(F)cc2Cl)C1 86559366 VMQHKZGAJZPRBE-UHFFFAOYSA-N 265.759 4.697 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCC[C@H](CC)C2)s1 87972999 OMSHHHHGBABQCL-XJKSGUPXSA-N 261.434 4.963 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc2ccccc2c1 97208646 REARCRGSHTVSGL-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OC(C)C)cc1 104048178 UNLLFROBHOZDBV-KRWDZBQOSA-N 264.409 4.868 30 10 CJEE CCCCCCCCCOc1ccc(Cl)cc1CCN 109762859 IWILMJMHKCMIRF-UHFFFAOYSA-N 297.870 4.971 30 10 CJEE CCCCCCCCO[C@H](C)CNc1ccccc1 110239483 BIVVEBXFNMGBNA-MRXNPFEDSA-N 263.425 4.864 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@H]1C(C)(C)C 114349375 UBZRBPXYAHOMTC-KRWDZBQOSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1CC(CC)(CC)NC[C@@H]1C 115248767 WZZMUHXTZHABGY-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@]1(C)C1CC1 115250427 QPILIABLCDCERY-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC(=O)NC1(C#N)CCC(CC)CC1 115857456 MWBLSJFQOZBCHY-UHFFFAOYSA-N 292.467 4.716 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]1(C)CCCCO1 122023542 OPBLAQKHWODCNN-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CC[C@H](CCCCCCCCCCCC)NN 122586257 KOYXSIMODTWJDH-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1c(F)cccc1Cl 125800704 BUDBMNMAQXNSHO-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1CCCc2ccccc21 126259342 NIJHLGKDESDJRC-RTBURBONSA-N 288.479 4.689 30 10 CJEE CCCCCCCCCCNC(=O)C1(C#N)CCCCC1 129327512 DMJYWRZYEMPACW-UHFFFAOYSA-N 292.467 4.717 30 10 CJEE CC#CC[C@@H](CCCCCCCCC)NCCC 130798711 ASAJQWYFDJXHSH-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CC[C@H](C)c1ccccc1Oc1nccc(C)c1C#N 135090700 DOWVJHYRAUGSHJ-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE CCCCCCCC[C@@H](O)C(CC)(CC)OCC 161864830 DJLSTQLMILSCFR-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(F)c(C#N)c2)c2ccccc21 163761310 YUDGBHJOMMWPQK-KZULUSFZSA-N 280.346 4.748 30 10 CJEE N#Cc1cc(F)cc(CSc2ccccc2Cl)c1 163761453 TUKVDFLRHZMIKU-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(C#N)cc2F)cc1C 168250526 IASISGBGTQEVFO-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CCCCCCCCCC(=O)Cc1nccn1CCC 168475403 MJWKLAZWOQNHKA-UHFFFAOYSA-N 278.440 4.545 30 10 CJEE CCCCCCCC[C@@H](Cc1ccoc1)NCC 229213796 SKJZGJCGRQBUGX-INIZCTEOSA-N 251.414 4.551 30 10 CJEE N#Cc1cc(Cl)cc(-c2cccc(Cl)c2Cl)c1N 230030323 UYWVZNICRVAOFP-UHFFFAOYSA-N 297.572 4.768 30 10 CJEE C[C@@H](Nc1ccc(C#N)c2ccccc12)c1ccsc1 235233465 SZPDKUWBDKKSPX-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE Cc1cccc(C(C)C)c1NC(=O)Nc1ccccc1C#N 243250870 KPOFHZSVDINQGD-UHFFFAOYSA-N 293.370 4.634 30 10 CJEE SCC1(CN2CC[C@H]3CCCC[C@H]3C2)CCCCCC1 250838935 LMKBCOILLWMWEY-SJORKVTESA-N 295.536 4.769 30 10 CJEE CCC[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)CC1 251313549 JFEPNFGJSOTIDZ-GPMSIDNRSA-N 284.447 4.958 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2COc3ccccc32)C1 252638841 JDHJBUCCKWXFJS-RVKKMQEKSA-N 269.388 4.663 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H]2C[C@H]21 306092076 MFAVAOMNXZFWMU-MGPQQGTHSA-N 259.418 4.565 30 10 CJEE Cc1cc(C#N)c(Cl)nc1-c1ccc(Cl)c(Cl)c1 307886374 ASYQHKMURXAWNC-UHFFFAOYSA-N 297.572 4.889 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cc(Cl)cc(C#N)c1 310865791 DPKYNMSGAVPXDT-WFASDCNBSA-N 263.768 4.559 30 10 CJEE CC(C)C[C@@H](C)CNc1ccc(C(C)(C)C#N)cc1 311280543 ZGPLWSKDFXZSTE-CQSZACIVSA-N 258.409 4.582 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@](C)(CNC2CC2)O1 312413884 QOEDOMTZYISNMB-MSOLQXFVSA-N 281.484 4.817 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccc(Cl)nc2)CC1 317201967 IIXVZBLFGJXXCB-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE CCc1ccc(CC2(C=O)CCC(C)(C)CC2)cc1 318885320 HASGJWYCXGZQOJ-UHFFFAOYSA-N 258.405 4.577 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@@H](C)CC1(C)C 380450427 WURYQUOGBQIPRP-DLBZAZTESA-N 282.516 4.575 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)ccc1F 384881108 QWEZOPKSFJTAHM-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1c(F)cccc1Cl 384907793 XXYZFOOGZBFEFD-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE Cc1c(Cl)cccc1N=C1N[C@@H](C2CCCC2)CS1 386054438 ABLCYIQPKXZJME-CQSZACIVSA-N 294.851 4.531 30 10 CJEE C=C(COC(C)C)C(=O)CCCCCCCCC 387485099 XEUOZHHMKCRVRC-UHFFFAOYSA-N 254.414 4.677 30 10 CJEE CCCCCCCCCC[C@H](COCC1CC1)NC 395497033 KUOJZHKTDVWDBH-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCC(=O)COCC1CC1 395613833 HACLETNUIUKJHV-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE C=CCCC[C@H](C)NC1CC(c2cccc(Cl)c2)C1 398160372 HXXYVCHKPNMVNR-KTAKPFMOSA-N 277.839 4.920 30 10 CJEE CCCCCCCCNC[C@H]1CC2CCC1CC2 400050964 JMDGYHPQFSHKIU-OFLPRAFFSA-N 251.458 4.763 30 10 CJEE C[C@@](C#N)(Cc1ccc(F)c(Cl)c1)c1ccccc1 405693676 NLMKPSFNXSYJRS-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=CCCc1ccccc1NCc1cnoc1-c1ccco1 409856753 XOKPAAOXMLAWLP-UHFFFAOYSA-N 294.354 4.665 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 437764688 MNOXEYBTZOYORM-BFHYXJOUSA-N 277.374 4.832 30 10 CJEE CC(C)(C)c1csc(CSc2cccc(C#N)c2)n1 468636699 DBBXRKKMUJPOFT-UHFFFAOYSA-N 288.441 4.605 30 10 CJEE C=CCCC[C@H](C)NC1CCC(C#N)(c2ccccc2)CC1 539511367 WFQWBYKFZKHEFP-KKXNLOMOSA-N 296.458 4.725 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)C1CCC(F)(F)CC1 594041838 JGUHQHWZOBXAOP-ZDUSSCGKSA-N 286.410 4.510 30 10 CJEE C#CCCCCC[C@@H](CC(C1CC1)C1CC1)NCCC 686703514 JIWCXZVOGYPKEI-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H]1CCCCC[C@H]1C 691069661 RKYBGUUWGAIGRB-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE C=CCCC[C@H](NC)c1ccc(C)c(C(F)(F)F)c1 693442679 GUNLESQWBMBHID-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE C[C@@H](CC(C)(C)C#N)n1ccc2cc(Cl)ccc21 695777141 AYNBBYQRYPRCMA-NSHDSACASA-N 260.768 4.796 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(CNC)cc1 695857321 ZTZOXLNLRWFVIF-GOSISDBHSA-N 277.452 4.580 30 10 CJEE Cc1cc(N[C@H]2CCCC(C)(C)CC2)ccc1C#N 697603366 HTPLXBZDYAEUJL-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)Oc1ccccc1 700665721 PIEHURAESSISIQ-AEFFLSMTSA-N 277.452 4.793 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCOC2CCCCC2)C1 701412499 KBPVLDMKUPHFID-WBVHZDCISA-N 263.425 4.836 30 10 CJEE CCCCCCCN[C@@H](C)c1cc(F)cc(F)c1 703766524 XSIHXDBIASEPCZ-LBPRGKRZSA-N 255.352 4.586 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)C[C@@H](C)N(C)C1 705093985 CZZHKCZOLHZNIU-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1COC[C@H]1C 705220785 ZHSNFGDRAPTLMH-KURKYZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@H]2CCC[C@@H]21 707849433 YPEBPDXXGQERON-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@@H](CCS)CCN1CCC[C@H](C2CCCCC2)C1 708236904 WNAHUGXPFSJGDF-WBVHZDCISA-N 283.525 4.625 30 10 CJEE CCCCCCCC[C@@H](N)c1snc(OC)c1Cl 708338915 WUORRSIABADDPX-SNVBAGLBSA-N 290.860 4.556 30 10 CJEE C=C(Cl)C[C@]1(CNCCC)CCC[C@H](CC)C1 710678959 MRGUMMBQGBPSBX-LSDHHAIUSA-N 257.849 4.715 30 10 CJEE N#C[C@@H](C(=O)c1cscc1Cl)c1ccc(Cl)cc1 711536124 HNKKQRVPAZIOMG-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE Cc1cc(N[C@@H](C2CCCC2)C2CCC2)ccc1C#N 711844118 MVNSVVPKQTVBEX-SFHVURJKSA-N 268.404 4.638 30 10 CJEE CC1(C)CC[C@H](/N=C2/NC3(CCCCCCC3)CS2)C1 713202360 JAEZVFLCEKYAET-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)Oc1c(C)cc(CNC(C)(C)C)cc1C 715059727 KRSKNIDXSDKGCZ-OAHLLOKOSA-N 275.436 4.535 30 10 CJEE C=CC[C@@H](C)n1ccc2cccc(Br)c21 715727957 ZELUBQXUTJYUPB-SNVBAGLBSA-N 264.166 4.541 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)[C@@]2(C)CC2(C)C)CC1 717117017 ZUDGEQGJPXKWSA-KJUJZPGYSA-N 277.452 4.530 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)CC1 718627597 QMIBBXMNUQNYJP-HOCLYGCPSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H](N)C1CCCC1 718799959 BVGRUDYIDYJJHB-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](C)[C@H]1CCCO1 720221681 GNQJEHXUXFPWDR-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 721398451 RPNBJRVYJPONDN-YIFLHPOLSA-N 289.341 4.597 30 10 CJEE C=C(C)CN(CC)c1cccc(Cl)c1CNC(C)(C)C 723186748 GDFHERGBPZCFCH-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C[C@H](/N=C1/N[C@H](C2CCCCC2)CCS1)C1CCCC1 725105892 RKWUTRPESNMTKE-BBRMVZONSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](OC(=O)C1CCC(F)(F)CC1)c1ccccc1 778736864 HZQHQDLHGAVCAX-HNNXBMFYSA-N 294.341 4.673 30 10 CJEE CN(N=Cc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 1084257326 FHSUKRMRKHPVDC-UHFFFAOYSA-N 298.389 4.728 30 10 CJEE O=C1/C(=C\c2cc(Cl)cc(Cl)c2)Nc2ccccc21 1088708711 WGEUBHWNMHYZET-VGOFMYFVSA-N 290.149 4.643 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1cccc(C)c1)C(C)(C)C 1125294062 GOYSCGQODQLFMH-QGZVFWFLSA-N 287.447 4.801 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)cc(Cl)c1F 1132588329 LJMAEAUYAFUCJI-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=CC[C@@H](C(=O)NC[C@H]1CCC=CCCC1)c1ccccc1 1134766928 RBDGLKPVTJUTQE-PKOBYXMFSA-N 297.442 4.599 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC(C)C)cc1 1179142851 OFLURVOXNIWKKW-IEBWSBKVSA-N 287.447 4.698 30 10 CJEE C=CCCC[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 1183551393 QTXJZLPKCVWHGZ-HUUCEWRRSA-N 298.257 4.867 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccc(OC(F)F)cc1 1192757155 MLHHBWQDCZPYQD-ZDUSSCGKSA-N 283.362 4.685 30 10 CJEE C#CCCCCCCN[C@H](C)c1cccc(C)c1C 1192835729 ZMUYIQZCVFPUFZ-QGZVFWFLSA-N 257.421 4.538 30 10 CJEE C=CCCCSc1nc(-c2ccccc2)ccc1C#N 1307303639 DSGQMOLNPVBRSK-UHFFFAOYSA-N 280.396 4.679 30 10 CJEE C=C(C)[C@@H](NCCC=C(C)C)c1ccc(F)c(F)c1 1307699503 VGRKZOKXMITECG-MRXNPFEDSA-N 265.347 4.528 30 10 CJEE CC1(C)CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 1308440338 BNPLHADWZQTQIH-APWZRJJASA-N 296.458 4.742 30 10 CJEE C=C(C)CN(C)Cc1ccc(Sc2ccccc2)cc1 1308872995 PYCBCOOCYKUQKD-UHFFFAOYSA-N 283.440 4.846 30 10 CJEE C#Cc1ccc(N[C@H]2CCCC[C@H]2c2ccccc2)cc1 1308974026 JTDQITCWRGFNQN-PMACEKPBSA-N 275.395 4.806 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc(Cl)cc1C(C)C 1311015533 GDMWZXMJJRTORP-ZDUSSCGKSA-N 294.826 4.940 30 10 CJEE C=C(CC)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 1440593881 HYVHAXWRHBFBKC-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)CCCCC1 1460934997 DVEYSTVIZMHFLE-IXDOHACOSA-N 291.479 4.844 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C3CCC3)cc2)C1 1461429614 DLDYBMCXULBXEH-BEFAXECRSA-N 269.432 4.789 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(-c3ccco3)cc2F)C1 1461485196 VSSLGEUOUSLSQI-PBHICJAKSA-N 299.389 4.920 30 10 CJEE C=Cc1ccccc1NC(=O)NCCCCCCCC 1467154753 VUFPBWZXVQHBAW-UHFFFAOYSA-N 274.408 4.812 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cnn(CCCC)c2C(C)C)C1 1474489525 YGHJKUWFRQSZLV-CVEARBPZSA-N 289.467 4.963 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@@H]1CCC[C@H](C)C1 1477347199 HMSYTSZLGHKZJL-DLBZAZTESA-N 294.483 4.781 30 10 CJEE C=CCCCNC(=O)N[C@H](CCCCC)c1ccccc1 1477771270 GYAAICCCOLSZAO-QGZVFWFLSA-N 288.435 4.573 30 10 CJEE C=CC[C@H]1N(C(=O)C=C2CCC(C)CC2)CCCC1(C)C 1519869752 BBRLREBJRUDDRV-OMOCHNIRSA-N 289.463 4.716 30 10 CJEE C=C1CCC(C(=O)N(c2ccccc2)C2CCCC2)CC1 1529022903 HZCVYLXDLNEHLX-UHFFFAOYSA-N 283.415 4.709 30 10 CJEE C=C(C)CCN[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1560092101 SWPSPKFMUNFLNJ-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cccc(CC2CCC2)c1 1560794665 AQDTZPARUPWEQX-LJQANCHMSA-N 269.432 4.570 30 10 CJEE C=CCC[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 1583037558 NGPDHYBPTKLTIC-MQNTZWLQSA-N 297.423 4.585 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC(C)(C)CC(C)(C)C1 1618437154 MHVJXDIMAQWBAB-IYBDPMFKSA-N 289.463 4.549 30 10 CJEE C=CCCCN1CC[C@@H](c2ccc(C)cc2)C1(C)C 1620537189 OPOQWXUHDYKPRY-KRWDZBQOSA-N 257.421 4.529 30 10 CJEE C=C(C)c1cccc(NCc2coc(-c3ccccc3)n2)c1 1621097090 PPXJPHHHBKHKGW-UHFFFAOYSA-N 290.366 4.987 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCOc2c(F)cccc21 1621203799 QOAGNFCOXSFFJX-RHSMWYFYSA-N 291.410 4.764 30 10 CJEE C#Cc1ccc(CN(C)c2ccc(C(C)(C)C)cc2)cc1 1621237316 NJUPUEBUCRDUPB-UHFFFAOYSA-N 277.411 4.602 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@]1(O)CCCC(C)(C)CC1 1621477672 YAYGQTULHLZSKS-IEBWSBKVSA-N 295.511 4.822 30 10 CJEE C=CC1(CC(=O)Nc2ccc3cc[nH]c3c2)CCCCC1 1635251832 RIHPBSNVPAFWJQ-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE CCCCCCCCCN1CCC[C@H]1c1ccccn1 1641947451 WRAPRZARRIJTEP-SFHVURJKSA-N 274.452 4.969 30 10 CJEE C=C(C)CN[C@H](c1ccc(F)cc1)C1CCCCC1 1644158105 LSKNHHINFWAHQI-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CC[C@@H]1CCCN(Cc2c(Cl)oc3ccccc23)C1 1647401953 BKBMYOZBKMQXRV-CYBMUJFWSA-N 289.806 4.874 30 10 CJEE C#CCC1(NCCCc2ccc(Cl)cc2)CCCCC1 1648418118 HEIXQEYGDJOHFF-UHFFFAOYSA-N 289.850 4.588 30 10 CJEE C=C(C)CNC/C(=C\c1ccccc1)CCCCC 1651068234 AJZYUUSGAUYCBK-AQTBWJFISA-N 257.421 4.816 30 10 CJEE C#Cc1ccc(N[C@H](C)CC2CCCC2)c(Cl)c1 1653184144 FCLJJFLXBCLYHJ-GFCCVEGCSA-N 261.796 4.702 30 10 CJEE C=CCC1(NC(=O)Nc2ccccc2CCC)CCCC1 1657767748 ASBJRRFTQZBWPD-UHFFFAOYSA-N 286.419 4.650 30 10 CJEE C=CCN(Cc1ccc(Oc2ccccc2)c(F)c1)C1CC1 1657916554 KBKZYDKAGYGCCW-UHFFFAOYSA-N 297.373 4.768 30 10 CJEE C[C@@H](CCC#N)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 1659136620 FHONERKFCDCKCC-QWHCGFSZSA-N 298.352 4.638 30 10 CJEE C=CC[C@@H](C)NCc1ccc(N(CC)c2ccccc2)cc1 1661458575 CPQVKQLXKTYRGR-QGZVFWFLSA-N 294.442 4.899 30 10 CJEE C=CCCc1ccccc1NCc1cc(OC)ccc1F 1662294170 JNDXRMLYKTWSNR-UHFFFAOYSA-N 285.362 4.565 30 10 CJEE N#CCc1cc(Cl)nc(-c2ccc(Cl)cc2Cl)c1 1848377780 RISYORDPTOLNFI-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC1CCC(=NOCCOc2ccc(C(C)C)cc2)CC1 1860463933 BYSODBXEBULSRP-UHFFFAOYSA-N 289.419 4.772 30 10 CJEE C#Cc1cccc(NC(=O)c2ccccc2C2CCCC2)c1 1866234422 NQTGOJHZWOPORI-UHFFFAOYSA-N 289.378 4.578 30 10 CJEE C=CCN(CC=C)CCC(=O)c1cc(C(C)(C)C)ccc1C 1874689045 RUORGFGTUBUNBI-UHFFFAOYSA-N 299.458 4.539 30 10 CJEE CCSc1cccc(N[C@@]2(C)CCC[C@H]2C)c1C#N 1878817486 CFVRWQRYBLPGDS-WBMJQRKESA-N 274.433 4.661 30 10 CJEE C[C@]12CCO[C@](CC3(C#N)CCCCCCC3)(C1)C2 1879275879 QIWWECULMDDPRH-WOVMCDHWSA-N 261.409 4.590 30 10 CJEE CC#CCCC[C@@H](NCCC)C1(C2CC2)CCCC1 1879650579 LOOIAFYIRKZFQV-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCN(CCC1CCCC1)Cc1ccccc1 1880995438 MNGZMHWFQMACAK-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2(CCF)CC2)CC1 1881883760 UYTRIMMFDAIRNE-MRXNPFEDSA-N 267.432 4.631 30 10 CJEE C=CCCN(Cc1ccccc1)c1ccc(N)cc1Cl 1882669932 LIAVAEMXOJGTTJ-UHFFFAOYSA-N 286.806 4.505 30 10 CJEE CCC1CCC(N(CC#N)C2CCCCCC2)CC1 1883169660 WNPLXXZZRKABMF-UHFFFAOYSA-N 262.441 4.504 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(F)cc1Cl 1883400465 XPQMKVFFOAZPJN-UHFFFAOYSA-N 289.781 4.667 30 10 CJEE CCCCCCCCCCN1CC[C@H](C)O[C@@H](C)C1 1883834979 NAXSTAPBUBNBPK-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1c(C)coc1C 1885238794 XPRCFHDCMHPIHH-MRXNPFEDSA-N 261.409 4.521 30 10 CJEE CC1([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CCCCCC1 1885273732 FTTCVCCRNLSPFA-KGLIPLIRSA-N 278.245 4.829 30 10 CJEE CCCCCCCN(C)CCOc1ccc(Cl)cc1 1887060598 GCLXVWMDAQDTKS-UHFFFAOYSA-N 283.843 4.621 30 10 CJEE C#CC[C@H](C[C@](C)(N)c1cc(Cl)ccc1Cl)C1CC1 1887407145 JRARARMEYALYBW-WBMJQRKESA-N 296.241 4.607 30 10 CJEE C=C1CCC(CC2(C(=O)O)CC3(CCCCC3)C2)CC1 1912712021 HDISRPHKNXGOSJ-UHFFFAOYSA-N 276.420 4.938 30 10 CJEE C=CCOc1ccccc1[C@H](O)CCCC(C)(C)C 1920023838 BSQREGJSEFMRJE-OAHLLOKOSA-N 262.393 4.501 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(O)c1csc(C)c1 1921811647 DPDITLZDMDKCHJ-SJORKVTESA-N 297.508 4.603 30 10 CJEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](C)CCCC 1922112848 ORGZGKALEKNSBW-APWZRJJASA-N 289.463 4.564 30 10 CJEE C=C([C@@H](NCCC)c1cc(F)ccc1Cl)[Si](C)(C)C 1922866879 BNMJKCYVLRCYFY-OAHLLOKOSA-N 299.893 4.953 30 10 CJEE C=C([C@@H](NCC)c1cc2c(s1)CCCC2)[Si](C)(C)C 1922870847 VUEXOCVXKOSTEB-MRXNPFEDSA-N 293.552 4.711 30 10 CJEE CCCCCCCCCCOCCNCCC(C)C 1924502603 RNNJHNGUSOEGIZ-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE SCC1(CSCc2ccc(Cl)o2)CCCC1 1936590810 SMGLNNUQUTXFQZ-UHFFFAOYSA-N 276.854 4.656 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCSC1CCCC1 1944172149 IFVLBSKFCSFBIT-ZFWWWQNUSA-N 251.439 4.772 30 10 CJEE C=C([C@H](NC)c1cccc(Cl)c1C)C(C)(C)C 1947457078 UZBNDAXTXLPSQI-AWEZNQCLSA-N 251.801 4.511 30 10 CJEE C#CCCCC[C@H](NC)c1cc(Cl)sc1Cl 1981783966 WCJNNBKMKONQGM-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C=CCCCCC(=O)c1ccc(Br)cc1C 1984512210 UDLUNQIHGRMJLK-UHFFFAOYSA-N 281.193 4.687 30 10 CJEE CCCCC#CCNc1cccc(Cl)c1Cl 1994169435 RCCVAZYXOVPJBG-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE CCCCCCCC(=O)c1c(Cl)cncc1Cl 2000207912 WHLXHIBRGIVJHC-UHFFFAOYSA-N 274.191 4.932 30 10 CJEE C#CC(C)(C)C[C@H](NCC)c1cc(Cl)c(Cl)s1 2002372010 CVUIIJYMDSGUDN-JTQLQIEISA-N 290.259 4.755 30 10 CJEE C=C(C[C@@H](NC)c1cccc(Br)c1)C(C)(C)C 2003681202 BFMKAFKZCFWNBR-CQSZACIVSA-N 296.252 4.702 30 10 CJEE C=C([C@@H](O)C1(C)CCCCCCC1)[Si](C)(C)C 2004922713 JYYAKTSTLJOLRM-CQSZACIVSA-N 254.490 4.532 30 10 CJEE C[C@@H]1CCC[C@H]1[C@H](C#N)c1c(F)cccc1Cl 2006744772 YJLXDYLNAIGEMO-MXWKQRLJSA-N 251.732 4.522 30 10 CJEE C=CCCCCCCCCNCc1cccs1 2026309284 CTFORCSKXMDVSR-UHFFFAOYSA-N 251.439 4.754 30 10 CJEE CCCCC[C@H](CC)OCC1(CS)CCCC1 2026322727 WNRWURWAOPRVBH-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](CCC)C(C)C 2028257693 LKGPUCDTHUHDCN-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@H]2CCCC[C@@H]21 2028753990 DJOOADDOCYOTLP-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCCCC(=O)c1nncs1 2029148110 MQZPKTWGZQWODN-UHFFFAOYSA-N 268.426 4.642 30 10 CJEE C=C1CC(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 2029666248 CLHAYOYCEGXCAG-VIFPVBQESA-N 288.193 4.749 30 10 CJEE C=C(C)[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2030150731 HQSFSLFCWIGOQQ-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE CCCCCCCNC[C@H]1CCC[C@H]1C(F)(F)F 2031772294 FOXILEGQBWKCBG-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H](F)C1)NCC 2032951563 ZCPMZFFHMRQMFB-HRCADAONSA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncc(C)s1 2033047226 UPXUTVZFKKIOND-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE C=C(C(C)(C)C)[C@]1(N)CCC[C@@H](C(C)(C)C)CC1 2037305409 SALYZIQJIQQZAO-PBHICJAKSA-N 251.458 4.913 30 10 CJEE C#CCCCCC[C@@H](O)[C@H]1CCCC(C)(C)CC1 2039382125 WXIURAMIGJXQJP-JKSUJKDBSA-N 250.426 4.538 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@H]21 2040266667 XULCVXIAMABEBC-VQHPVUNQSA-N 252.442 4.924 30 10 CJEE CC#CCC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2045683174 WJHWNMQUCGXZBU-UHFFFAOYSA-N 274.772 4.665 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]1C(C)(F)F 2045942581 GVNYQLUDKHIHOV-MCIONIFRSA-N 261.400 4.746 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cc(C)c(Cl)s2)c1 2046768903 PHRRWMGPARMDBK-GFCCVEGCSA-N 276.792 4.695 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CCC12CCC2 2047933334 SNHXFSHVYRZTPC-WCQYABFASA-N 262.315 4.505 30 10 CJEE CCCCCCCCC[C@@H](NC)c1sncc1C 2049026986 IRTMKJXUFMEMKD-CQSZACIVSA-N 268.470 4.853 30 10 CJEE C=CC1(C[C@H](NCCC)c2sccc2C)CCC1 2049034964 HRUAGTCOIOGBJL-AWEZNQCLSA-N 263.450 4.844 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@]12CC2(F)F 2051981913 GLRYPHCXEGMDKH-GXTWGEPZSA-N 258.352 4.742 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(C)sc1C 2053265571 OGCZBWHXGNFZPM-MRXNPFEDSA-N 263.450 4.599 30 10 CJEE COc1ccc2c(c1)CCC(=Cc1ccc(Cl)cc1)C2=O 2053515489 WHUMXSJINGHNDG-UHFFFAOYSA-N 298.769 4.561 30 10 CJEE O=C(C=C1CCCCC1)[C@@H]1CCCC(F)(F)CC1 2056943449 PHGYVZORNYYEKA-CYBMUJFWSA-N 256.336 4.662 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C[C@H](C)C(F)(F)F)CC1 2061174316 OVCHVJYDIGLWDF-QWRGUYRKSA-N 262.315 4.527 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@@H]2CC[C@@H]2C1 2068807671 LGXHIZUPHVIVOX-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCCN1CC(C(C)(F)F)C1 2075038445 QGDHWXIJQQCNHH-UHFFFAOYSA-N 261.400 4.714 30 10 CJEE C=C(C)CN(Cc1ccsc1C(F)(F)F)C(C)C 2075240389 PVZGJGYVYHPIEH-UHFFFAOYSA-N 277.355 4.553 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccc(Cl)cc1Cl 2076577411 YDCGVDRZAWGMRU-OAHLLOKOSA-N 278.182 4.707 30 10 CJEE CCCCCCCNC[C@H]1C[C@H]1C1CCCCC1 2079454528 NFLCUWSQPRPFIN-SJORKVTESA-N 251.458 4.763 30 10 CJEE CCc1cccc(-c2cc(Br)c(C#N)s2)c1 2080351529 CYYHIINIKUPTAB-UHFFFAOYSA-N 292.201 4.612 30 10 CJEE CCCCCC#CC[C@](C)(O)C1CCC(C)CC1 2083390906 HMWHFHAOIZMACE-JCYILVPMSA-N 250.426 4.538 30 10 CJEE CCCCC#CC[C@H](NCCC)c1sccc1F 2083429724 CYZXIESKHLLXAU-AWEZNQCLSA-N 267.413 4.512 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@H]1CC(C)C 2085850790 ZDAHAYCNTMQROC-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1SCC[C@@H]1C 2086263276 FZWBCJPBOJUGRV-HRCADAONSA-N 270.482 4.796 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1nc(C)cs1 2086282939 PAHIDWMPOGXKOQ-CQSZACIVSA-N 266.454 4.758 30 10 CJEE SCC1(CN2CC[C@@H]2C2CCCC2)CCCCCC1 2089506896 HTGTWOADPSGULN-MRXNPFEDSA-N 281.509 4.521 30 10 CJEE N#CC1(CCSc2ccccc2)C[C@@H]2CC[C@H](C1)S2 2089750888 ISHJPLHNYFMRDT-XYPWUTKMSA-N 289.469 4.737 30 10 CJEE CCCCCCC[C@@H](NC)[C@@](O)(CCC)C(C)(C)C 2092181877 NZPHTAGFNFTALD-WBVHZDCISA-N 271.489 4.512 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CCCC[C@H]1C(F)(F)F 2092662409 LPQMRXHRHLHVEL-QWHCGFSZSA-N 277.374 4.547 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(O)CC#CC1CCCCC1 2093460086 NIZGXQWYHUHJEC-ZWKOTPCHSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccc(O)cc1 2098350881 RPOOIDXXIXSGPW-KRWDZBQOSA-N 263.425 4.707 30 10 CJEE C=C(CC)C[C@@H](N)c1ccc(-c2ccccc2)cc1 2098400120 QZEKFRDVSXAKJY-GOSISDBHSA-N 251.373 4.710 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H]1CCC[C@H](CC)CC1 2103082923 UAQUPMFHSOUANS-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=C1CC(CCSC2CCCCC2)(CNC(C)C)C1 2103340449 VMNHDPPSQNCMRM-UHFFFAOYSA-N 281.509 4.777 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCCC(C)C 2107864959 YHDXDUPFJQNHQX-GOSISDBHSA-N 263.469 4.765 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(C(C)(C)C)n1 2107954091 FGCFBPIEUXKXNZ-JSGCOSHPSA-N 280.481 4.694 30 10 CJEE C#C[C@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2107956496 ADUQVQLYGNTCLZ-AWEZNQCLSA-N 289.831 4.742 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1csc2ccccc12 2108204590 SKDJHXCHOGTLQV-HOTGVXAUSA-N 273.401 4.655 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1cccc(Cl)c1F 2108213308 KSOPLLJAEXCGLB-GJZGRUSLSA-N 283.774 4.623 30 10 CJEE C#CCCCCC[C@@]1(N)CCCCC12CCCCC2 2110035265 NDQGEZDCWIRQLC-GOSISDBHSA-N 261.453 4.792 30 10 CJEE O=C[C@]1(C[C@H]2CCC[C@@H]2C(F)(F)F)CCC12CCC2 2110450286 DWLJOQAZCQCGPU-MBNYWOFBSA-N 274.326 4.505 30 10 CJEE C=CC1(C[C@H](NCCC)C23CCC(CC2)C3)CCC1 2111709504 XDZUKZDIPMDKGL-PQUAAJSLSA-N 261.453 4.681 30 10 CJEE CCc1c(C2(C)CCCCCCC2)sc(C#N)c1N 2115947048 GMUIWJGAVDSSAN-UHFFFAOYSA-N 276.449 4.766 30 10 CJEE CC1(C)CCCC[C@]1(C=O)Cc1ccc(F)cc1Cl 2117034629 XYRQRUNBIGHRQY-MRXNPFEDSA-N 282.786 4.807 30 10 CJEE O=C[C@]1(CC(F)(F)C(F)(F)F)CCCCC12CCC2 2117052830 JHORJUJPJJVVRV-LLVKDONJSA-N 284.268 4.504 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H]1CCCCC12CCC2 2117054516 NRLDYPATVMHBOP-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE Cc1cc(C#N)ccc1Oc1c(N)ccc(Cl)c1Cl 2120073185 BQYQCEHSWOKMBQ-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=C1CCC(N[C@@H](C)c2ccc(Cl)c(F)c2F)CC1 2120428945 CNPSJQCTTIZTIR-JTQLQIEISA-N 285.765 4.768 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C=C1CCCCC1 2120517083 UQVYHIBBBUMKRW-KRWDZBQOSA-N 266.425 4.558 30 10 CJEE Cc1nc(C)c(C(=O)C2=CC[C@H](C(C)(C)C)CC2)s1 2125195940 UXAKAZOULPRGBW-ZDUSSCGKSA-N 277.433 4.715 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)CC23CCC(CC2)C3)CC1 2125214693 JZVQNFPFVVSAGR-SWKXRBFHSA-N 260.421 4.908 30 10 CJEE O=C[C@]1(CC[C@@]23CCC[C@@H]2C3)CCCCC12CCC2 2125596534 ICJHJHVXWYKSJD-JFIYKMOQSA-N 260.421 4.886 30 10 CJEE C=C1CCC(CC(=O)C2CC3(C2)CC32CCC2)CC1 2127625321 PCOJZMAMKAEFAG-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@@H]2C[C@H]2C(F)(F)F)CC1 2128830792 HRBANYNTIRDTIJ-KGYLQXTDSA-N 274.326 4.527 30 10 CJEE CCCCCCC[C@@H](NC)[C@@](O)(CC)CCC(C)C 2129408770 URTNIUFWKXIUSK-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE C=CC1(CN[C@H]2C[C@H](C)c3ccccc32)CCCC1 2132967323 SLTMSYMKRUMNRW-YOEHRIQHSA-N 255.405 4.571 30 10 CJEE CC1(C)CCC(C=O)(CC2(C(F)(F)F)CCC2)CC1 2134781807 XROYJOJQMSRVKC-UHFFFAOYSA-N 276.342 4.895 30 10 CJEE C=CCN(C[C@H]1C[C@H]1C1CCCCC1)C1CCCC1 2135844998 PCZNMBPXXNIFDN-AEFFLSMTSA-N 261.453 4.633 30 10 CJEE CCCCCC#CC[C@@H](C(=O)O)C1CCCCCC1 2138949630 RCOYAKRZBFOTGE-MRXNPFEDSA-N 264.409 4.631 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1 2138954604 NXZDLRCNJFRQMA-KSZLIROESA-N 261.453 4.519 30 10 CJEE CCCCC#CC[C@H](NCC)[C@H]1CCCCC12CC2 2138957853 ALXXFFOENAWFBB-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@@H]1CC[C@H](NCCC)[C@H]1CC 2138980319 BXDPCQLQYLHVPT-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](N)C(CC)(CC)C(F)(F)F 2138989162 BPLRJJCIYVCGQD-CYBMUJFWSA-N 277.374 4.656 30 10 CJEE CCCCC#CC[C@@]1(CNC2CC2)CCC[C@H](C)C1 2138995104 WONNNHVQEUKASH-FUHWJXTLSA-N 261.453 4.519 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H]1Cc2ccccc2S1 2141904540 CNHDMZZBGZAJOJ-RDJZCZTQSA-N 275.461 4.557 30 10 CJEE C=CCCCCCC[C@H](NCCC)C1[C@@H]2CCC[C@@H]12 2141909181 DEEILNUTLVVEQW-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCc2ccccc21 2141923203 LGXKKILRYRLUBC-GOSISDBHSA-N 257.421 4.742 30 10 CJEE C=CCCCCCCCCN1C[C@@H](CCC)CC1=O 2142391237 ISDYLPQAXQWVKO-INIZCTEOSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ccc(C)cn1 2142432956 CWISHHNGOOXAQS-KRWDZBQOSA-N 261.409 4.730 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC(C)(C)CC)NC 2142462914 IPTHJQKOEBUGGY-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE O=C(C=Cc1ccccc1)c1cc2cc(F)ccc2s1 2145215120 CNHIDCNACOCZCJ-UHFFFAOYSA-N 282.339 4.937 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)C1CCC(C)CC1 2147433557 OJAZYHQBOWFSKE-ZGUYJTEBSA-N 283.500 4.512 30 10 CJEE 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CCCCCCCCCO[C@H]1CCN[C@@H](C(C)(C)C)C1 2289315636 KFTGFQBSRVMTRZ-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CC1(C)CC([C@H](O)C#CC2CCCCC2)CC(C)(C)C1 2289706024 OMHVOGQSEKASMQ-QGZVFWFLSA-N 276.464 4.784 30 10 CJEE CC[C@@H]1C[C@@H](C)SC(=NCC2CC(CC(C)(C)C)C2)N1 2290039686 JGLGPCHYZARIRG-XSCHDIRWSA-N 296.524 4.698 30 10 CJEE C=CCCCCC[C@@H](CC1CCCCC1)OCCCN 2292891456 HJARQUBDVVWWMW-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C([C@H](CC1CCCCCC1)OCCCN)[Si](C)(C)C 2293321040 BFTBOGMBHBIPCQ-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1C[C@H](F)C1)OCCN 2293341636 ZLEQCHQGAWZWEP-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=CC1CC(CCCCCCCCC)(OCCCN)C1 2293461925 ZJKFNPDOBFAERB-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCC#CC[C@@H](NCCC)c1nc2ccccc2s1 2295383618 SUNMESMMQYCGLP-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@H](C)NCCCC(C)(C)CO 2295676528 LQNPHSFVDDETKX-KRWDZBQOSA-N 285.516 4.904 30 10 CJEE C=CCCCCCCCCC(=O)CCC[C@@H]1CCNC1 2296130409 FJOLWJPBXCHVLE-QGZVFWFLSA-N 279.468 4.642 30 10 CJEE CC1(C)CCC[C@@H]([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2297105728 VERSPZNKXVUHGP-HZSPNIEDSA-N 278.245 4.685 30 10 CJEE C[C@H]1CC(OCC2(CS)CCCCC2)C[C@H](C)S1 2317874064 JUPVTYRMJUVLSZ-STQMWFEESA-N 288.522 4.556 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC[C@H]2C[C@@H]21 2319370903 ZYYWTTOSGLOANG-LUKYLMHMSA-N 251.458 4.904 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]1CCC)NCCC 2321114544 APZJTYAOZJRCSY-OWCLPIDISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C(F)(F)F)s1 2321228114 KOVJHZVXJVJFEP-RYUDHWBXSA-N 278.339 4.793 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CC[C@H]2CC[C@H]1C2 2327107846 ZUBLGNDDWHLQOX-CTASWTNQSA-N 270.482 4.564 30 10 CJEE CCCCCCCCC[C@@H]1CNC[C@H](C(F)F)C1 2328334949 OTGGYCKCCJGFSL-UONOGXRCSA-N 261.400 4.618 30 10 CJEE C=CCC(CC=C)N[C@H](CC)c1ccc(CC)cc1 2335203134 JEMDPFMPCWBULD-GOSISDBHSA-N 257.421 4.811 30 10 CJEE C=CC[C@H](C)S[C@H](CC)[C@H](NCC)c1ccccc1 2335205721 FWNBJDJTNHTVQK-USXIJHARSA-N 277.477 4.814 30 10 CJEE C=CCCCCCC[C@@](C)(OCCN)[C@@H](C)C(C)C 2340221880 HTSVSUGWYREXOF-DLBZAZTESA-N 269.473 4.539 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccccc1C1CC1 2341754652 XEQAOZVSFJFMCA-UHFFFAOYSA-N 254.373 4.566 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC#CC1CCCCC1 2343233769 OOHDLBVOOXDJDW-HZPDHXFCSA-N 260.421 4.602 30 10 CJEE CCCCCCCC[C@]1(F)CCCN[C@H]1C(F)(F)F 2344128181 NCDAQYYWIDZJRB-OLZOCXBDSA-N 283.353 4.760 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(Cl)c1OC 2344339847 MNRMTJIYHUBHSZ-HOTGVXAUSA-N 281.827 4.602 30 10 CJEE CC1(C)CC[C@H](CC[C@]2(C#N)CCOCC2(C)C)C1 2344861844 NAAGNOVQBJSDQG-RHSMWYFYSA-N 263.425 4.549 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1cccc2c1CCC2 2352103761 JKQCKLBZIYSQLC-QGZVFWFLSA-N 278.461 4.536 30 10 CJEE C[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)C(C)(C)C(F)F 2352296126 SXUZJIFIBKAGDD-NHYWBVRUSA-N 295.483 4.580 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CCC[C@@H]1C[C@H]1C 2358947996 MABFKCFMOROFHZ-ZJPYXAASSA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)OCc1csc(CNC(C)(C)C)c1 2360216715 IWVBAVSLVKICFP-UHFFFAOYSA-N 293.476 4.674 30 10 CJEE CC[C@H](C)S[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37155957 YHGCTOARCBVSCI-DGAVXFQQSA-N 253.455 4.873 30 10 CJEE CCCc1ccc(N[C@H](CC#N)c2ccccc2)cc1 55016461 WWRUHXAFVBLMHG-GOSISDBHSA-N 264.372 4.706 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2F)cc1C 57686666 AQPAYCCPIPTMDD-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE Cc1ccc(C)c(C[C@@H](C#N)c2ccccc2Cl)c1 57759857 CNGHDLCQTPQVCE-HNNXBMFYSA-N 269.775 4.807 30 10 CJEE COc1ccc(F)cc1[C@@H](C#N)Cc1c(C)cc(C)cc1C 57760858 DHUQUMCCIHQXPY-OAHLLOKOSA-N 297.373 4.609 30 10 CJEE CCCCCCCCCOc1cc(C(=O)O)ccc1OC 59089367 TUFPLKAIBCGFEV-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE N#Cc1ccccc1N(Cc1ccccc1)c1ccccc1 59202801 FOMWDSMZTRLAGF-UHFFFAOYSA-N 284.362 4.897 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1C(=O)O 59207942 UENGCASUIAEZRH-CYBMUJFWSA-N 263.381 4.546 30 10 CJEE CCCCCCCCOCC(=O)c1ccccc1C 59526231 DKTAODWPIZCDFE-UHFFFAOYSA-N 262.393 4.555 30 10 CJEE CCSc1ccc(-c2cc(CC#N)c(CC)o2)cc1 77078026 NBYQZYKSVPYFGG-UHFFFAOYSA-N 271.385 4.687 30 10 CJEE CCCCCCCCCCOCC(OCC)OCC 82114230 HXGJBMRSJNSZHB-UHFFFAOYSA-N 274.445 4.543 30 10 CJEE Cc1ccc2c(C(=O)CC#N)cn(C3CCCCC3)c2c1 84873666 NWURVTFPKFPRHI-UHFFFAOYSA-N 280.371 4.551 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCCC[C@@H]1CN 91313047 HRDVIYANCDRRKR-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(F)cc1 100913346 AVVKWWBPIUCMDJ-MRXNPFEDSA-N 251.389 4.837 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1c(Cl)cccc1Cl 107501844 KKTPESSTOZCHPK-JFUSQASVSA-N 259.176 4.664 30 10 CJEE C=CC[C@H](C)c1cc(Br)ccc1OCCC 107588607 ZWRVUAOSOGSAPQ-NSHDSACASA-N 283.209 4.918 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(Br)c(C)c1 107608962 IUODQIKLGRAOKJ-YPMHNXCESA-N 279.221 4.911 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ccsc1 109929619 RKXOTOQCGUHRTO-CQSZACIVSA-N 253.455 4.629 30 10 CJEE C[C@@H](N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N)C(C)(C)C 110265071 WTDPRHSFNACXDS-KLHDSHLOSA-N 278.484 4.707 30 10 CJEE Cc1ccc2[nH]c(Sc3ccc(C#N)c(Cl)c3)nc2c1 110354542 UJOPQTOERWEBOI-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)c1ccncc1 117685117 LYVGWEPNUPUTOD-WMZOPIPTSA-N 276.468 4.914 30 10 CJEE CCCCCCC[C@H](NC)C(CC)(CC)N1CCCC1 118171887 WVTFDYIVIKMOHW-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)OCC 123779094 RQZYLCHGSRDIQC-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE CCCCCCCCCCCC[C@H](NC)c1ncc[nH]1 123799703 TVLWPHMLRBDUMU-INIZCTEOSA-N 279.472 4.981 30 10 CJEE CCCCCCCCCCNc1ncccc1F 124873383 FDAYGRZUSLWLBY-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE CCCCCCCCCCn1ccc2c1CCC[C@H]2O 129458351 PNEFXDSDGPIBLZ-GOSISDBHSA-N 277.452 4.999 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)C2CCC(C(C)(C)C)CC2)C1 130330593 KUSDJVFEWSGVMJ-KZZPEHCYSA-N 291.479 4.920 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ncc(C)cc1C 130604740 XHPPAMHXOWTQAZ-KRWDZBQOSA-N 291.483 4.734 30 10 CJEE C#CCCC[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 133976132 TYJGVJKATYIKGG-SFHVURJKSA-N 285.475 4.535 30 10 CJEE C=CCCCN(C)c1cc(C)c(F)cc1[C@@H](C)NCCC 135984556 BYQLDJPYBLHYTO-OAHLLOKOSA-N 292.442 4.597 30 10 CJEE CCCCCCCCCOc1ccc(C#N)c(F)c1 155612458 KEGRBMUPJJEOCO-UHFFFAOYSA-N 263.356 4.827 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC 156227773 LVBWRPWNQXFPCV-OWCLPIDISA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCNc1ncnc(N)c1CCC 157452679 WRGDSDUHATUPMJ-UHFFFAOYSA-N 292.471 4.564 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H](N)c2ccccc21 157467260 BDFXQAVLYAQIAU-RBUKOAKNSA-N 288.479 4.862 30 10 CJEE CCCCCCCCOC[C@@H](NCC)C1CCCC1 157568459 RBOIJHPICZATKW-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCNCCc1cccc2cccnc12 159288593 AWRWFUCBCYMDGG-UHFFFAOYSA-N 284.447 4.727 30 10 CJEE N#Cc1ccc(CNc2ccccc2-c2ccccc2)s1 161088214 IGEUXWHXRJAHFP-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE CC(C)(C)c1ccccc1NCc1cc(F)cc(C#N)c1 163029355 ZUILBIPCDFKQJG-UHFFFAOYSA-N 282.362 4.607 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 221837651 AVQDLIALHUXIOU-UHIISALHSA-N 296.336 4.814 30 10 CJEE CCN(C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222185450 CIOPFDLDZDVBMM-SOLBZPMBSA-N 290.495 4.996 30 10 CJEE C#C[C@@H](CCC)N[C@H](CCC)c1ccc(Cl)cc1 229911959 UQMZIZXMLSRCQG-JKSUJKDBSA-N 263.812 4.573 30 10 CJEE CCCCCCCc1nc2ccc(C(=O)O)cc2s1 231119401 GCFKBJWOONUWAK-UHFFFAOYSA-N 277.389 4.507 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232392546 BDGWFCPGWMDDSQ-KFWWJZLASA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccoc1CC 232954421 GZXMGWUIFQFZLA-OAHLLOKOSA-N 251.414 4.853 30 10 CJEE CCCCCCCCC[C@H](CC1(OC)CCC1)NC 232969282 NTQYVROUNRTYRP-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCSc1ccc(C#N)c(C(F)(F)F)c1 233088601 ZPPAUPHTOWTRIG-UHFFFAOYSA-N 273.323 4.859 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c2ccccc12)C(C)C 233905810 VYLWHYCPSJNSHO-MRXNPFEDSA-N 252.361 4.558 30 10 CJEE C=CCCCCC[C@@H](NC)C1CCC(C)(C)CC1 234445480 YJSSTWITIIBBGU-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE Cc1cc(C(F)(F)F)ccc1C(=O)C1=CC[C@@H](C)CC1 235617654 JEHVQIJTIISOSW-SNVBAGLBSA-N 282.305 4.943 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)(C)C 252763001 NRLJVMFVIHWQFU-KSZLIROESA-N 277.496 4.867 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N 253624175 CUFASKMMOIVJOV-GVDBMIGSSA-N 283.500 4.906 30 10 CJEE C[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]3CC(=O)C=C[C@]3(C)[C@@H]1CC2 254404858 LYQLGOGKDQKQAX-MDXCESHSSA-N 272.432 4.764 30 10 CJEE in-vitro N#Cc1sc(-c2cccc(Cl)c2)cc1Br 259137180 IFZIBBDQSXIMJC-UHFFFAOYSA-N 298.592 4.703 30 10 CJEE CSc1cccc(Br)c1C1(C#N)CCCC1 260744997 WPRWMEKLJXGIDM-UHFFFAOYSA-N 296.233 4.506 30 10 CJEE CCCCCCCOc1ccc(C(CC)=NO)cc1 310713983 LTHBLBWXAAKKNJ-UHFFFAOYSA-N 263.381 4.624 30 10 CJEE CCCC1CCC(C#N)([C@@H]2CCC[C@H](OC)C2)CC1 311375916 LECWSMWZXXFVPU-GMRIPVOYSA-N 263.425 4.692 30 10 CJEE C=CCC(C)(C)CNc1nc2ccccc2cc1C 311604017 DCVDDMWJJXFIAG-UHFFFAOYSA-N 254.377 4.557 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(C)c(C)c2)C1 316931416 YHHQMYAUMLAYQP-AEFFLSMTSA-N 258.405 4.631 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CCC[C@@H]1C 319146139 CSCCQLXVTXGMLH-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1ccc(F)cc1Cl 320226146 UKJMCOXNAOFVDL-OPQQBVKSSA-N 253.748 4.768 30 10 CJEE N#Cc1ccc(N[C@H]2CCCC23CCCC3)c(Cl)c1 328258256 KTEYWNKVTWQPMA-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc([N+](=O)[O-])cc1Cl 385089702 XSZGFTMSLYLEGC-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE C=C(COCCC)[C@@H](NCC)c1cc2sccc2s1 387632326 UPUQGQQKOUEWDH-OAHLLOKOSA-N 295.473 4.596 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCCCC[C@H]1NCCC 403868987 SKIMDOYLCBOAIM-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C#CCCCCCC1(C(=O)O)CCC(C(C)(C)C)CC1 686684664 CACITQHLCJGPIP-UHFFFAOYSA-N 278.436 4.877 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)ccc1F 686690787 BDJWCPSPUGTAOJ-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C=O)CCCC[C@@H]1C 691809240 XNXLGRANMOLYNY-JSGCOSHPSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(Cl)c1 692204138 KRXGWXBOAURRDX-CJNGLKHVSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)Cc1ccccc1 692213507 HHVBJTWVMSMCTF-QRVBRYPASA-N 271.448 4.732 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2n1 692233769 DYXLSCWGHOPXEH-GDBMZVCRSA-N 266.388 4.782 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccsc1Cl 692282757 UEBLWQCEJNQQJP-YPMHNXCESA-N 269.841 4.626 30 10 CJEE CCCCCCC[C@H](C)NCCCc1ncccc1C 693676989 UCZJKBKTZUIKPZ-KRWDZBQOSA-N 276.468 4.661 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2ccc(Cl)cc2C#N)C1 695683780 CVHXRMNISBZROI-WCQYABFASA-N 274.795 4.616 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C2CC2)o1 707542756 VZLDVKMJRXHQNS-CQSZACIVSA-N 264.413 4.693 30 10 CJEE C[C@@H]1C[C@@H](N(C)c2ccc(C#N)cc2Cl)CC(C)(C)C1 709185602 UUUBHAUSHHIIKS-TZMCWYRMSA-N 290.838 4.863 30 10 CJEE CC[C@@H](CC(=O)[C@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 711149110 SVPQSLZRMPTKAP-DZGCQCFKSA-N 291.822 4.979 30 10 CJEE N#CC1(C[C@@H]2CCC3(CCC3)O2)CCCCCCC1 712394514 APEPRYJFBGRYHI-HNNXBMFYSA-N 261.409 4.732 30 10 CJEE C=C(CC)C[C@H](N)c1ccc(Cl)cc1C(F)(F)F 712560932 QJBDTQJYCXITLT-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE CCCCCCCNCC1CCC(C(F)(F)F)CC1 712988544 NRNUJINOVLAWLZ-UHFFFAOYSA-N 279.390 4.915 30 10 CJEE C[C@H]1CC([C@H](C#N)c2ccc(F)cc2F)C[C@H](C)C1 719377675 PCCYTTFRPYHNNE-HFAKWTLXSA-N 263.331 4.644 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)[C@H]1CCCO1 720237557 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4.759 30 10 CJEE CSc1cccc(N2CCCC23CCCCC3)c1C#N 2150960835 HPHLLBAGADBURA-UHFFFAOYSA-N 286.444 4.583 30 10 CJEE N[C@@H](CC#CC1CCCCC1)c1cccc(C(F)F)c1 2154707818 AIUKVXRSYGQYPG-INIZCTEOSA-N 277.358 4.598 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@](O)(CC)C[C@@H](C)CC 2158324789 SCHCHXSHDPSTJK-XSLAGTTESA-N 283.500 4.534 30 10 CJEE CCC1(CC)CNC(=NC[C@H]2CCCC(C)(C)C2)SC1 2168609318 HEKHDPILFISSOH-AWEZNQCLSA-N 296.524 4.702 30 10 CJEE C=C([C@H](NCCC)[C@H](O)C(CCC)CCC)C(C)(C)C 2172279905 MZSPNWLTOMZTTF-DLBZAZTESA-N 283.500 4.534 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc2ccccc2o1 2173490612 KZKBURMSORMMCY-MRXNPFEDSA-N 269.388 4.667 30 10 CJEE N#C[C@@]1(C[C@H](O)c2ccccc2Cl)CCCCC12CC2 2173626054 NSJAELZMYSJWAV-RDJZCZTQSA-N 289.806 4.628 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@]1(C#N)CCCCC1(C)C 2173640118 SJCPWXFUBMBSHT-KYHPRHEASA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](NC)c1cc2c(C)nn(C)c2s1 2175241886 XEXKJCFLBIJNDN-CQSZACIVSA-N 293.480 4.564 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1[C@H]2CCCO[C@@H]12 2176436648 ZXNYYZALZJBSQB-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE Cc1cc(C#N)ccc1NCC1(C)CCC(C)(C)CC1 2176596594 GLUCPTDTGJQJPY-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE N#Cc1cc(NCc2ccc3sccc3c2)ccc1F 2177216091 HHZWNJIJTXVIQP-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE CCC[C@@H]1CCCCN(c2cc(Cl)c(C#N)cc2F)C1 2177390520 LGJKZSZOOOWAKE-GFCCVEGCSA-N 294.801 4.757 30 10 CJEE CCCCCCCCC[C@]1(O)COC2(CCCCC2)C1 2178839236 RHASZDMHERHDCS-QGZVFWFLSA-N 282.468 4.981 30 10 CJEE CCCCCCCCOc1nccc2cc(N)ccc12 2179108188 WBYICGWZVUHINE-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C1=CC[C@H](CC)CC1 2181550429 JQFZHFIZGLWGNL-JQHSSLGASA-N 281.484 4.562 30 10 CJEE CCOC1(C(=O)C2=CC[C@H](CC)CC2)CCCCCC1 2181663533 SLOCVGXVSRQYLP-HNNXBMFYSA-N 278.436 4.822 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2CCCCC(F)(F)C2)C1 2182158956 YITDFQIUUDXFIM-HZPDHXFCSA-N 285.422 4.927 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@H](O)c1ccccc1C(C)(C)C 2184360380 JPFCZCWXPWDCCW-SJLPKXTDSA-N 273.420 4.593 30 10 CJEE Cc1cc(C#N)ccc1NCCC12CCC(CC1)CC2 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CC#CCCCC[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2196171578 KVVQHOSGGPPUSX-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C#CC[C@H](C[C@]1(CNC(C)C)CCC[C@@H](C)C1)C1CC1 2196853348 HGTMMDFUVDJSOH-QRQLOZEOSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@H](NC)[C@H]1CCC[C@H](CC)CC1)C1CC1 2196855009 QIVJCDRYEWXTCT-KANFNMMFSA-N 275.480 4.621 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(Cl)c(OC)c1F 2203394560 NCGOSQGJGBPYFF-BXUZGUMPSA-N 299.817 4.741 30 10 CJEE CCCCC#CC[C@@](C)(O)c1ccc2ccccc2c1 2203777934 IJZHBHNYHAYNEU-LJQANCHMSA-N 266.384 4.631 30 10 CJEE CCCCCC#CCOc1ccc2ccc(O)cc2c1 2203779190 QUVSWXUUICWHMS-UHFFFAOYSA-N 268.356 4.508 30 10 CJEE CCCCCCCCCC[C@H](N)c1nnc(C2CC2)s1 2204931891 YYOJJXAELMBXAU-AWEZNQCLSA-N 295.496 4.946 30 10 CJEE CCCCCCC[C@@H](NCCC)C12CC(CC)(CO1)C2 2205177103 HDABAGUBRIARQW-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE C=CCCCCCC[C@H](NCCC)c1ccc(C)cn1 2206884600 IEBLEZXJUKCOTQ-KRWDZBQOSA-N 274.452 4.957 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@H](O)c1cccs1 2206892619 SOSDTEUTCZKMPT-WBVHZDCISA-N 295.492 4.676 30 10 CJEE C=CCCCCCCCCCOC[C@@H]1CCCC[C@@H]1N 2207414680 PLVUULSYQGNKEV-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](C)CNC1CC1 2207437070 MWUDIWZOUDNECR-INIZCTEOSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)C1(CC)CCC1 2207439676 BUQHECGRUMHNTH-IRXDYDNUSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCNC[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2207442175 OSTGTTXNKGYNIQ-OAGGEKHMSA-N 285.422 4.784 30 10 CJEE C=CC[C@H](C)c1cc(C)c(Br)c(C)c1 2209713303 JWGJBKCDVIKWHP-VIFPVBQESA-N 253.183 4.746 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(C)cc(Cl)n1 2216941408 QBEGVIIGBZTGPY-LBPRGKRZSA-N 253.773 4.557 30 10 CJEE CCCC#C[C@H](NCCC)c1cscc1C(F)F 2218433215 UZJJYQKUDFJLCM-ZDUSSCGKSA-N 271.376 4.530 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ccns1 2220085450 WQXMZHWKGLINNI-AWEZNQCLSA-N 266.454 4.710 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cncc(Cl)c1 2220094935 XQVDQLMWZKIJHA-OAHLLOKOSA-N 266.816 4.652 30 10 CJEE C=CCCCCCCC[C@H](O)C1CC(C2CC2)C1 2220096330 DYRBXADTYKKBDI-JCYILVPMSA-N 250.426 4.700 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)CC1(F)CCCCC1 2223587491 CSMGVTSTRRWOQB-CABCVRRESA-N 255.421 4.629 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](CCC)CCO1 2223777439 VNUHYXLOYZUHAE-JKSUJKDBSA-N 255.446 4.632 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1[C@H]2CCCC[C@H]21 2223867756 KBGVSHDCGLKIEF-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225339752 GDMRPIFIGNTVNX-XWTMOSNGSA-N 263.469 4.783 30 10 CJEE CC#CCCC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1 2229870773 KYJTUOWHEHEUFF-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCO[C@H](C)CNC(C)(C)C 2231015715 RIJHDIKAKOSEKS-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCCCCCC[C@@H]1N 2231023803 FHTTYWBGTIYDAD-IXDOHACOSA-N 267.457 4.578 30 10 CJEE CCCCCCCCCCO[C@@H](CCCC)C(=O)O 2231032107 CIMAKXRTFGDBRD-HNNXBMFYSA-N 272.429 4.787 30 10 CJEE C=C[C@H](CCCCC)OCCCC(=O)c1cccs1 2231033928 QXMMBPUNMZQQSZ-CQSZACIVSA-N 280.433 4.863 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2231499156 GIOMDYZIAYFSNK-LUKYLMHMSA-N 261.453 4.537 30 10 CJEE CC1(C)CC[C@@]1(C=O)Cc1ccc(C2CCC2)cc1 2231593807 KWWDGJYGZDTFFM-SFHVURJKSA-N 256.389 4.502 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](CC(C)(C)C)CO1 2231858931 ZEWZESJWTJEIGP-DOTOQJQBSA-N 269.473 4.878 30 10 CJEE C=CCCCCCCCCOC[C@@H](O)C1(C)CCCC1 2234050245 DLIDKQBTEOMSJN-QGZVFWFLSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](O)c1ccsc1 2235523891 KIPFFGQQLYSYBD-SJORKVTESA-N 295.492 4.676 30 10 CJEE CCCCCCCCC[C@@H](C[C@]12COC[C@H](C1)C2)NC 2236296120 QAKPZRGJENZDIC-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CC(C)[C@]1(C)CSC(=N[C@@H]2CCC[C@H](C(C)(C)C)C2)N1 2238170467 NRYRJWPPUAHKJS-VBQJREDUSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCOCc1cc(NCC)ccn1 2239488132 XJLOFIIWQWQVTO-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCCCCCCCCCCOC(=O)[C@](C)(N)CC 2239489697 KSQXODFUGPQZEA-QGZVFWFLSA-N 285.472 4.578 30 10 CJEE CCCCCCCCCCOc1cc(N)cc(OC)c1 2239492750 MMUDHHDRROGBBK-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCC[C@@H](C)N(CCC)[C@@H]1CCCNC1 2240575886 XFSGTDVUIKCFGR-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@@H]1CCC[C@@H]1C 2240648647 LDTBHIPEEJJERS-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1csc(C)c1C 2246374535 XIQBTBFERMYCGW-NHYWBVRUSA-N 251.439 4.618 30 10 CJEE CSc1cccc(SCCC2CCC2)c1C#N 2249254104 OHPIWLBEOIMAJU-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE CSc1cccc(SCC2(C)CCC2)c1C#N 2251759954 VZUABGOLGQQACM-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE C=C(C(=O)c1cc(Cl)c(OC)cc1Cl)C(C)(C)C 2255438374 NMOMZXVSJPTGKX-UHFFFAOYSA-N 287.186 4.787 30 10 CJEE CCSc1cccc(SCCC(C)(F)F)c1C#N 2256448151 QIPVCUIFYVJGHW-UHFFFAOYSA-N 287.400 4.808 30 10 CJEE C=CCCCCCCCSC[C@H]1CCCCNC1 2259050842 GJRXAWBQHUBTLW-INIZCTEOSA-N 269.498 4.636 30 10 CJEE C=C(C)CCCCC1(CNC(C)(C)C)CC(C)C1 2259164081 NDXRNSFOCPTHLM-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](CC1CC(C)C1)NCCC 2259193460 PWAIIFDEUQSCKE-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](N)C1CC(CC(C)(C)C)C1 2261202437 QASWMXYXJSVBEK-GPANFISMSA-N 251.458 4.913 30 10 CJEE Cc1ccc([C@H](C)N(C)CCCCCCCS)s1 2263204297 UOIYMAGDNINJGT-AWEZNQCLSA-N 285.522 4.930 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H]1CC(F)(F)C12CCC2 2266154584 AHFMCSWXIQZWOJ-UONOGXRCSA-N 271.395 4.536 30 10 CJEE Cc1cc(Nc2ccc(Cl)cc2C#N)cc(C)c1C 2270594339 OYHIICSCWSUVIS-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCCCCCCCSC[C@@H](N)c1cnc(C)s1 2271592337 VNFXJRWQYYIKCW-CQSZACIVSA-N 298.521 4.711 30 10 CJEE C=C(C)CCCC[C@@H](O)C(C)(C)c1ccc(F)cc1 2271769442 GXWCKCCIHFLSLV-MRXNPFEDSA-N 264.384 4.601 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(C)c(F)cc1F 2271780336 CZROZEFICZRSLO-MRXNPFEDSA-N 267.363 4.670 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(C(F)(F)F)CCCC1 2271781317 NJYITWPCHZEMOU-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(C)ccc1F 2271786416 XIGVVTPYZSSJGB-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C[C@H]2CCC[C@@H]2C1 2271833689 SXJPWYWNVXEYKM-NUJGCVRESA-N 263.469 4.927 30 10 CJEE C[C@](O)(C#CC1CCCCC1)c1cccc(Cl)c1Cl 2274059549 BYUKDMUKPSPGBJ-INIZCTEOSA-N 297.225 4.785 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)C(C)(C)C 2276064239 PIFNXFQQFYWNAA-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCC[C@@](C)(C[C@@H](CC)CCCC)OCCCN 2276815864 QELPMHQKRYUJHO-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE C#Cc1ccc2c(ccn2C2C[C@H](C)C[C@@H](C)C2)c1 2277804035 LEMVSFFAXOJGHK-ZIAGYGMSSA-N 251.373 4.620 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)CC(C)C 2278237354 POGTUFRBGLVDMZ-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)c1c(F)cccc1C#N 2280475709 DRMCDTDJJNCXFG-NSHDSACASA-N 288.753 4.548 30 10 CJEE N#Cc1cc(F)c(OCC[C@@H]2CCCC23CC3)cc1Cl 2281388711 LHIOPEQSHJFBEQ-LBPRGKRZSA-N 293.769 4.700 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(CNC(C)(C)C)CC1(C)C 2284076561 MKZMLXUSKWRPLO-LJQANCHMSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cccc(C(F)F)c1 2284183430 RGTJLAYQNHZFIK-HNNXBMFYSA-N 278.342 4.653 30 10 CJEE C=C(C)CCCC[C@@]1(CNC)CCc2ccccc2C1 2287369552 JOPTYORCXZNPPF-LJQANCHMSA-N 271.448 4.518 30 10 CJEE CCCCCCCCCCC(=O)C1(O)CCC(F)CC1 2287389118 AHTCRPIFKYHWBQ-UHFFFAOYSA-N 286.431 4.730 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(N)c(C(F)(F)F)c1 2287412885 GLWMJCSQVWRPKQ-UHFFFAOYSA-N 285.309 4.607 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1nc(C)ccc1F 2287415180 TUTYRXZLVZVDSD-INIZCTEOSA-N 278.415 4.706 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(C)c(OC)c1 2287469974 LRVLZLVPOYLDJL-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE CCC[C@@](C=O)(CC)CN1CCC[C@@H](C(C)(C)C)CC1 2287679148 CEGJHBOCSWRQGT-AEFFLSMTSA-N 281.484 4.530 30 10 CJEE N#C[C@]1(C[C@]23CCC[C@@H]2CC3)CCc2ccccc2C1 2289131457 HBXHIDYGOCOOTE-GUDVDZBRSA-N 265.400 4.656 30 10 CJEE CCCCCCCC[C@H](C[C@@]12CCCC[C@@H]1CC2)NN 2289156801 NVFBGSZOSXDPIV-KURKYZTESA-N 280.500 4.929 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C12CCC(CC1)C2 2289716249 UZIAYQJNQGPVPP-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2289789694 HCRGTSGJLDTZSK-FCGDIQPGSA-N 273.464 4.504 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H]1CC12CCCC2 2289860726 XZWRQZFSQNGGBG-ROUUACIJSA-N 273.464 4.519 30 10 CJEE C=CC[C@@H](C)[C@](C)(CCCCCCC)OCCC(=O)O 2290703170 FGBUMNZKCOUZBS-WBVHZDCISA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@](C)(CC1(C)CCC1)OCC(=O)O 2292014218 VLIWLZBXALBAQY-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCC[C@](CC)(OCCC(=O)O)C1CCCCC1 2292041885 XDAYQDOAGDEZST-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@](C)(CCCC)OCC(=O)O 2292583595 ZDFQBIHAGPTPJB-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1cccc(F)c1 2293344623 FPRYRPIBQMYFBC-QGZVFWFLSA-N 281.415 4.593 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@H]1CC)OCCN 2293567763 WJEXUJIUPIZEDX-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](CC1CC(F)C1)OCCN 2294118437 ZLEQCHQGAWZWEP-JCYILVPMSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](OCCN)C1[C@@H]2CCCCC[C@@H]12 2294342325 KJTWZTZATONSLB-ZACQAIPSSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCCC[C@@H]1C 2295522267 MACPOZVRBFDZRG-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@H](OC)C1(C)C 2295678936 LDHXZFSCWSHWTR-BBWFWOEESA-N 283.500 4.919 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(CC1CC1)NCC 2295766975 SDKRCWDDHCXUDO-NVXWUHKLSA-N 296.524 4.608 30 10 CJEE CC(=O)c1ccc(Cl)cc1Oc1ccc(C#N)c(C)c1 2296397004 NVDRYUUAZOAHMS-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE O=C1C=C(c2ccccc2)C[C@@H](C=Cc2ccccc2)C1 2297463834 NIARZVSDSHNPGJ-QGZVFWFLSA-N 274.363 4.763 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc(N=[N+]=[N-])cc2)cc1 2297580295 YYIPXXIMBLUJOK-UHFFFAOYSA-N 263.300 4.833 30 10 CJEE C=CC[C@H](C)SCC[C@@H]1CCCC[C@@H]1NCCC 2313525471 WTSMCDNOTATFAN-JYJNAYRXSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(F)cc1Cl 2313544328 FRBGKXLDRUWMCK-LLVKDONJSA-N 267.775 4.651 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C(F)F)c1 2321144124 FWLSTHDZXJXWCF-HIFRSBDPSA-N 253.336 4.616 30 10 CJEE C=CC[C@H](C)[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2321219613 KJHOWPMSKUPDAA-XHDPSFHLSA-N 287.230 4.889 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CCCC(F)(F)C1 2321226621 XXYCYNMCRPIVQS-MJBXVCDLSA-N 260.368 4.555 30 10 CJEE C=CCCCN(CC)Cc1cc(F)c(Cl)cc1Cl 2325183046 BRMARNWUOFQHTA-UHFFFAOYSA-N 290.209 4.921 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1C[C@@H](C(F)(F)F)C1 2327672445 DXKHZOMVRZAZFB-XQQFMLRXSA-N 265.363 4.523 30 10 CJEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(F)cc1 2330458264 IDJAALNVYJAVLR-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H]2C[C@H]12 2333706404 MPBHOVGNWOSVBT-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2333706667 TULAXCKIGIOTPS-XQLPTFJDSA-N 271.395 4.522 30 10 CJEE C=CCC(CC=C)SCc1nccc(NCC)c1C 2335099381 VXTHCNNCHHOWGK-UHFFFAOYSA-N 276.449 4.576 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccccc1CC 2335101843 ZOBCIGNWFWHWCM-KRWDZBQOSA-N 275.461 4.503 30 10 CJEE CS[C@H]1C[C@H](CC2(C=O)CC(C)(C)CC(C)(C)C2)C1 2335739922 BDVNBYFEBRRQRS-HDJSIYSDSA-N 282.493 4.940 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)COCC1(C)C 2336106771 UVODDDZHHVBHDO-WBVHZDCISA-N 265.441 4.795 30 10 CJEE C=C([C@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2)[Si](C)(C)C 2338686301 KVQZMRUXUDJINE-QAETUUGQSA-N 279.544 4.615 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCCC(F)(F)C1 2338740011 AZMQXJYSWMASSJ-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#C[C@H]1CC1(C)C 2339630206 ZFBGEOUQDMEOBE-FUHWJXTLSA-N 264.453 4.928 30 10 CJEE CC#CCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2340257103 ZJQYHNZITXQMOV-LBPRGKRZSA-N 299.867 4.644 30 10 CJEE Cc1c([C@@H](O)[C@@]2(C#N)CCC2(C)C)ccc(Cl)c1Cl 2340531695 CHXFDHANONZTNC-HIFRSBDPSA-N 298.213 4.665 30 10 CJEE C#CCCCCC[C@H](CCC[C@@H]1C[C@@H]1C)NCCC 2341493780 DNKIPXJRWASYQI-RCCFBDPRSA-N 263.469 4.765 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)CCS[C@@H](C)C2)c1 2343770627 VODBVGLKGRNHTA-YOEHRIQHSA-N 273.445 4.778 30 10 CJEE C=CCC(C)(C)[C@H](CCC[C@@H]1CC1(F)F)NCCC 2344355172 FLDKRUQZYJWUMH-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCCCOC)NCC 2344383568 IYDNJZXFSRQNOT-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)c(F)cc1OC 2344477110 QSGODNBVGQXODQ-CABCVRRESA-N 286.774 4.514 30 10 CJEE CC1(C)CC[C@H](CCNc2ccc(C#N)cc2Cl)C1 2344868094 HGHJRNJJPOBIKT-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C=CCCCCCCC=C1C[C@H]2CC[C@H]1C[C@@]2(C)N 2352901197 ZETBKGLAOLRFJS-RCCFBDPRSA-N 261.453 4.977 30 10 CJEE OCCCCCCCC#Cc1ccc2ccsc2c1 2353030754 DWJLYHUYYCPCRO-UHFFFAOYSA-N 272.413 4.586 30 10 CJEE CSc1cc(N(C)[C@@H](C)CC(C)(C)C)ccc1C#N 2353844129 CMJYQSPKSHOPCM-LBPRGKRZSA-N 276.449 4.541 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353978269 XBZBGLVCKMSWOR-XDNAFOTISA-N 281.484 4.530 30 10 CJEE O=C1/C(=C\c2cccc(Cl)c2)CSc2sccc21 12368929 FECFIVWNPOTJPZ-POHAHGRESA-N 292.812 4.774 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155602 BGNAZHZHLQTLBY-YWPYICTPSA-N 286.400 4.638 30 10 CJEE Cc1cccc(OCC[C@H](C#N)c2ccc(F)cc2)c1C 57685728 JIPHITATPLYJQJ-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE CCCCCCCN[C@H](c1ccccc1)c1ccncc1 59373024 HCCHVKMSQLYOHW-LJQANCHMSA-N 282.431 4.731 30 10 CJEE CC(C)(C)c1ccc(SCc2cccnc2C#N)cc1 61665037 SANCEZJAAYUHBQ-UHFFFAOYSA-N 282.412 4.543 30 10 CJEE C=CCCOc1ccc2ccccc2c1Br 71275577 VPFMTSNRBMJBRP-UHFFFAOYSA-N 277.161 4.557 30 10 CJEE CCN[C@@H](C)c1ccc(SCC#Cc2ccccc2)cc1 79581740 XOTTWHCCFGTDJX-INIZCTEOSA-N 295.451 4.501 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Cl)s2)C1 83791886 KHMVBFGPPXICDW-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCCCS 94583751 HTYLPPOEWPWXPW-OWCLPIDISA-N 272.498 4.954 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC[C@H](C)[C@H](C)C1 94585833 HXQOQOORARKSRV-BFHYXJOUSA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@H](Cc1cccc(C)c1)C(=O)O 103061144 WWNYCXPCJUIDFY-MRXNPFEDSA-N 262.393 4.599 30 10 CJEE C=C(C)COc1ccc(-c2cc(CC)sc2N)cc1 105555453 MJWXXRJQZPYXEV-UHFFFAOYSA-N 273.401 4.515 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccccc1Cl 105882719 NUGXXRDAMPHNRS-CQSZACIVSA-N 277.795 4.877 30 10 CJEE CC#C[C@@H](C)Cc1cc(C(F)(F)F)ccc1OCCC 107475769 WLDFGAGHPZZQAH-GFCCVEGCSA-N 284.321 4.696 30 10 CJEE CCCCCCCC[C@@H](CN)Cc1cccc(F)c1 110181214 MKHISEOVQLCOIJ-MRXNPFEDSA-N 265.416 4.694 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1COc2ccccc2C1 115845912 XUSUDUGUJKOTNX-ROUUACIJSA-N 289.463 4.576 30 10 CJEE CCCCCCCCCCn1ccc([C@@H](C)NC)c1 118239842 DLDNZLJJPIQGOJ-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CC[C@H]1CCCCCN1c1ccc(C(F)(F)F)c(C#N)c1 124986012 SIDZKSQAOQPTCX-ZDUSSCGKSA-N 296.336 4.736 30 10 CJEE C[C@@H]1C[C@H]1c1ccc(CNc2cc(C#N)ccc2Cl)o1 127764585 LSFBKRZEHIAXMA-ZWNOBZJWSA-N 286.762 4.540 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccnc(C)n1 132458027 CWGQJAXZBFKUIQ-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCCC[C@](C)(C#N)Nc1ccccc1Br 132730466 RLVUFCHOQGSGRJ-CQSZACIVSA-N 295.224 4.724 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 156141883 TXCANJMSSVSDTD-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCCCO1 159122073 LNEUAYSJTZWZST-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@@H]2CC[C@@H]1O2 162014390 WBBIFLLRVSCDEJ-BZSNNMDCSA-N 281.484 4.817 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)C 219303228 MDEMFKHVVBDJFH-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCCCC2)C1 222205613 CIZMTYFSQVYGHI-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCCCC1(C)C 226887961 FYUXJSYWLVHZMI-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H](NC)c1nc(C)cs1 232928570 MQWIMOIUFDVVDL-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCC[C@@H](NN)c1scc(C)c1Cl 232931017 HDEXHNVAVKGMON-GFCCVEGCSA-N 288.888 4.965 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1ccc(Br)cc1 233282926 GEPHJLCFVUMDQP-MFKMUULPSA-N 298.249 4.870 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc2c(c1)COC2 233548337 KYQQASFCQQASJL-SFHVURJKSA-N 273.420 4.504 30 10 CJEE Cc1cccc(NCc2cc(Cl)ccc2Cl)c1C#N 235901535 CWBWJFPAEBKCTP-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE N#C[C@]1([C@@H]2C=CC=CC2)CC2=CCC=C(C(F)(F)F)[C@@H]2C1 250639984 GYLNXEKYYJIBNH-FMKPAKJESA-N 291.316 4.857 30 10 CJEE CCCCCCC[C@H](C)N(CC)[C@@H]1CCCC[C@H]1CN 250826539 NXNDPEYGKXRDDP-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@H]3CC[C@H]2C3)CCCc2ccccc21 250851383 LYJIALFRJTZKMO-RMRDIRSESA-N 265.400 4.611 30 10 CJEE CC[C@H](C#N)c1csc(-c2coc3ccccc23)n1 259309112 NNNHARNKMYVJTF-SNVBAGLBSA-N 268.341 4.573 30 10 CJEE CC(C)Sc1ccc(C[C@H](C)C#N)cc1Cl 260855496 NYUUPBVDXFDJJR-JTQLQIEISA-N 253.798 4.543 30 10 CJEE C#C[C@H](CCC)N[C@H]1CCCC[C@H]1C1CCCCC1 300705908 UWYKPBNPZDGMFJ-SQNIBIBYSA-N 261.453 4.517 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@](C)(O)c1ccc(Cl)c(Cl)c1 307893106 LWABWFRHCNXRTL-VCTAVGKDSA-N 298.213 4.531 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2cc(Cl)ccc2Cl)O1 310273842 NYYMWKUVBYLHGD-MFKMUULPSA-N 270.159 4.517 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)cc1F)C(F)(F)F 311544950 USTIUTGOHLXPHP-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)c2ccccc21 313544301 RAYFIIQDJUNWJV-APPDUMDISA-N 282.774 4.872 30 10 CJEE O=CC1(Cc2ccc(Cl)cc2Cl)CCCCC1 317286884 VNJMPQOKAPDLCF-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE Cc1ccc(N=C2N[C@@H](C3CCCCC3)CS2)c(C)c1 386235926 XSVRSVIBBGQWCH-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE C[C@@H](CCC(C)(C)C)/N=C1/NC2(CCCCC2)CS1 386397005 UVBHWOCAHHFGJM-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE N#C[C@H](C(=O)c1csc(Cl)c1)c1cccc(Cl)c1 393571803 IFVBQNNEZMOZGI-NSHDSACASA-N 296.178 4.545 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1nc2ccccc2s1 394961528 NQWYHVTVDAVNOE-BLLLJJGKSA-N 270.401 4.559 30 10 CJEE CC(C)CCCCCCNC[C@H](C#N)C1CCCC1 397106412 GOERRRJHZWSMSD-KRWDZBQOSA-N 264.457 4.512 30 10 CJEE C=C(C)CCO[C@@H]1CCCCCCCCCC[C@@H]1O 402309762 JQFIZTVJCKZVJF-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 686677301 FJIURCMKDIFAGW-CQSZACIVSA-N 299.245 4.623 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(SC(F)F)c2)c1 690186619 PBFATNQLCKAWHI-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)cc(F)c1F 690966130 BPKUIWCHNBXAJV-BXKDBHETSA-N 284.737 4.503 30 10 CJEE CCCCCCCCCC[C@]1(O)CO[C@H](C(C)C)C1 691258472 NRILWILKGRINND-DLBZAZTESA-N 270.457 4.693 30 10 CJEE CCC(C)(C)C1CCC(=N[S@@](=O)C(C)(C)C)CC1 692019032 NZLWTLIATYTROJ-ZJFPTPTDSA-N 271.470 4.516 30 10 CJEE C=C[C@@](C)(CNCC(C)C)CC(C)(C)CC(F)(F)F 694007288 MPVZWYUYWUKPNP-CQSZACIVSA-N 279.390 4.793 30 10 CJEE C=CCC[C@@H](NCC)c1cc2cscc2s1 694417637 MFGXEFJTSOJJFC-LLVKDONJSA-N 251.420 4.580 30 10 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4.875 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2337078994 JWJWQEJEAQPNFE-CWIFOLKKSA-N 261.453 4.536 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCC1CCC(CCC)CC1 2337154753 GLHMMZDLYAHQSZ-FOIPXRHGSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@]1(C#N)CCCc2ccccc21 2338695784 XMCYCQMFRGIKPP-GOSISDBHSA-N 251.373 4.553 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2338734197 BQLGQGWTKANSHF-MRXNPFEDSA-N 298.257 4.892 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCC[C@@H](CC)CC1 2338743796 JBQXYZCOBVJNKI-NJAFHUGGSA-N 263.469 4.949 30 10 CJEE C#CC[C@@H](C[C@@H](N)c1ccc(Cl)c(Cl)c1C)C1CC1 2339013140 HMDCUFIVBDTDRJ-SWLSCSKDSA-N 296.241 4.741 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)CC(C)(C)Cc1ccccc1 2339454801 DNWLDCOWBGERBW-QAPCUYQASA-N 255.405 4.975 30 10 CJEE CSc1cccc(O[C@H](C)CCC=C(C)C)c1C#N 2341799791 MDFUNUADTHOLCP-CYBMUJFWSA-N 275.417 4.794 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)cc1 2344337751 UCXVZWRFMQADGD-KGLIPLIRSA-N 271.326 4.698 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(CC)cc1 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4.717 30 10 CJEE CC1(C)CS/C(=N\c2ccccc2Oc2ccccc2)N1 35294467 DLHFTEPBDGJXNL-UHFFFAOYSA-N 298.411 4.581 30 10 CJEE N#C[C@H](c1c(F)cccc1Cl)C1CCCCC1 41321709 VZTPYOYOMTXHGV-NSHDSACASA-N 251.732 4.667 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)c1ccc(F)cc1 48935884 DWKRXGSIGMZOTR-JTQLQIEISA-N 274.726 4.524 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2cccc(F)c2)c1C 57688829 ZDNMZQOVSMRTCT-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCCCN(/C=N/c1nc2ccccc2s1)CCCC 59372043 PETQWVCKNFZKOE-GHRIWEEISA-N 289.448 4.858 30 10 CJEE N#CC1(c2cccc(F)c2)CC2(CCCCCC2)C1 86543298 PLPQQKKKJKXRRJ-UHFFFAOYSA-N 257.352 4.721 30 10 CJEE N#CC1(Cc2csc3ccccc23)Cc2ccccc2C1 87997852 OQVJOLFFYLYWCD-UHFFFAOYSA-N 289.403 4.753 30 10 CJEE C=CC[C@@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547327 KZYKUMDXCGCUOS-MFJUZZNBSA-N 261.453 4.537 30 10 CJEE SCC1(COC2CCCCCC2)CCCCCC1 94585545 IHWCNAPYMHCHSV-UHFFFAOYSA-N 270.482 4.996 30 10 CJEE C=C(CC)CSc1ccc([C@H](C)NCCC)cc1 97209142 VWNDQKSXSXDJKD-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE C=CCOc1ccccc1CNCCCCCCCC 105807679 LMGLXBFEXLEQMR-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE CCC#C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OCC 107656157 STSSTJZHFQXMMJ-LLVKDONJSA-N 285.214 4.984 30 10 CJEE CC#C[C@@H](C)Cc1cc(C)cc(C)c1OCC(C)C 107666231 SUYUJLZIOHWAPI-CQSZACIVSA-N 258.405 4.540 30 10 CJEE Cc1cccc(Sc2cc(Cl)ccc2C#N)c1 110354307 PVOYMLLGYSKCIB-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCCCN[C@H]1CCOc2ccccc21 113013329 YFLHBJUQHPGHLW-KRWDZBQOSA-N 275.436 4.850 30 10 CJEE CCCCCCCCC[C@H](N)CS[C@@H](C)CC 115815222 ALCALWDUBBMIGN-GJZGRUSLSA-N 259.503 4.986 30 10 CJEE CCCCCCCCC(=O)NC1(C#N)CCCCCCC1 115857485 UYNQURYLAZPILI-UHFFFAOYSA-N 292.467 4.860 30 10 CJEE CCCCCCC[C@@H](CO)c1cccc(Cl)c1 118857709 NLQBHWLSUUCDJK-AWEZNQCLSA-N 254.801 4.776 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1cc(Br)ccc1C#N 123316221 UKVKNFOTFPUXSW-WDEREUQCSA-N 295.224 4.557 30 10 CJEE CCCCCCCCCCNCCc1scnc1C 124851099 WSBAAKCNVTZHJR-UHFFFAOYSA-N 282.497 4.724 30 10 CJEE CCCCCCCCC[C@H](O)CCC(F)(F)F 125026202 MUEQSZKWBLKBID-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE CCCCCCCCCCNc1ccc(C#N)cn1 129333207 HSRWYZKZDBIDEI-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE C=C(CNc1ccc(Cl)cc1F)c1ccccc1 134360844 GVQOEOQUWMWCOG-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCCCCCCCCN1CCC[C@H](C(C)(C)C(=O)O)C1 135024864 GTPDYQPUQFGFDC-INIZCTEOSA-N 297.483 4.560 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cncs1 147673383 ABACHPIGDDAORX-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE C=C(CN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2)c1ccccc1 148043076 AVQCZFCDVSEFPO-SCTDSRPQSA-N 269.432 4.504 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@](C)(CC)OCC 158357589 WCLVCBKMUZBFPT-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCC[C@@H](N)[C@H](OCC)C1CCCCC1 158517412 UDWMOFJBFLZQET-IAGOWNOFSA-N 269.473 4.660 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H]3CCCC[C@@H]32)C1 162675745 OTRHCERIYFKNKE-HSFUPAIVSA-N 288.479 4.605 30 10 CJEE C[C@@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1Cl 162856867 VDPNMXLBPDGKTI-CYBMUJFWSA-N 296.801 4.553 30 10 CJEE Fc1c(Cl)cccc1OCC1(CS)CCCCC1 167435840 LZWGTDOBMDBVBD-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C)c1Cl 167714741 LYNVYUSRYGATGP-AWEZNQCLSA-N 251.801 4.655 30 10 CJEE C=CC/C=C(/OC(=O)CCCCC)c1ccccc1 206257409 XMWGXBLJYHZODM-DTQAZKPQSA-N 258.361 4.727 30 10 CJEE CCCCCCCC[C@]1(N)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 217896934 DRBZMORDIBFUNN-ILOCAZANSA-N 263.469 4.891 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccn([C@H](C)CC)n2)C1 227373806 ITGPSVCMYFGNFB-INMHGKMJSA-N 273.424 4.507 30 10 CJEE CCC(CC)(CC)Nc1cc(Br)cc(C#N)c1 227620540 SROQQUHUDXHEHF-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@@H](C(C)C)C2)c1 231003950 TYBZJLSOHCQWSA-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(C)nc(C)c1 231657039 QLLDXRLEXHDUFB-QGZVFWFLSA-N 263.425 4.873 30 10 CJEE Cc1ccc(C#N)cc1OCc1ccc(Cl)cc1Cl 232335398 KSMPEUCDGAQPSK-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CC(C)Cc1cccc(C(=O)C=C2CCCCC2)c1 232635939 DZJOXMASTGFXOX-UHFFFAOYSA-N 256.389 4.958 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CN 232740340 ODBQBJLARIJZCR-GVDBMIGSSA-N 251.458 4.770 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)cc1OC 232927433 SHHQKIREXAFJGG-INIZCTEOSA-N 263.425 4.625 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1cccc(Cl)c1 233282954 WTCOWQQBQNSRMC-MFKMUULPSA-N 253.798 4.760 30 10 CJEE CCc1c(C)nn([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c1C 250137794 QABKCJWTFPZWFB-ZMSDIMECSA-N 287.451 4.589 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 250805746 FSSQLRWGTHNHAN-GVDBMIGSSA-N 284.484 4.939 30 10 CJEE CCCCCN(C)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252436591 PXWQVOZIAZSATL-CEXWTWQISA-N 284.447 4.584 30 10 CJEE Cc1cccc2cc(CC(C)(C)C#N)n(C(C)C)c12 260035415 BSICOXBMCYOOLU-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE N#C[C@@H]1CCc2ccc(F)cc2[C@@H]1C1CCCCC1 260700994 UZSIYRSTQLBEIT-WMLDXEAASA-N 257.352 4.576 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1CCC(F)(F)C1 305936058 FDYRFULBNORPLP-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCc2ccccc2)C1 316847930 NMOHBIDXNHFPBZ-FUHWJXTLSA-N 258.405 4.795 30 10 CJEE CC(C)(C)OCCC1(C=O)CCC(C(C)(C)C)CC1 317614430 SQVFPXLPCGUGGW-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE C=C[C@H](C)[C@@]1(CNCC(C)C)CCC[C@H](CC)C1 318258964 JAUVUTGUFBPJIG-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CCCC1CCC(c2nc(CCS)cs2)CC1 380197931 BLXNSMNSJKNKNP-UHFFFAOYSA-N 269.479 4.689 30 10 CJEE C#C[C@H](N[C@H](CCCCC)c1ccccc1)C(C)C 381652856 DSNVDSLVWHEGBT-ZWKOTPCHSA-N 257.421 4.555 30 10 CJEE C=CC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 381839791 BOTNNFRXLXHAGR-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Br)s1 384898830 WBEIURMROJMMCK-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1csc(Cl)c1 385028827 PLRXAHQENZUXGZ-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CCCCCCCCCCCCNCCC(C)(C)CO 386253442 JLAZPZADYOMFSQ-UHFFFAOYSA-N 285.516 4.906 30 10 CJEE CN[C@H](CC#CC(C)(C)C)C1(CC(C)C)CCCC1 388855458 DQPGWIGBNVEVNM-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC(C)(C)[C@@H]1CSC(=Nc2cccc3ccccc23)N1 393991367 CFHJWCHWLKUWRU-HNNXBMFYSA-N 284.428 4.578 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@H]2CCC[C@@H](CC)C2)CC1 394647352 WEXLINIMTKUWQR-ONWVLEABSA-N 277.452 4.674 30 10 CJEE C=CCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NCCC 403474283 UWGVDJDLZARENC-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE CC(C)(C#N)COc1cc(Cl)c(Cl)cc1Cl 405081290 AOQVNZWKBYZQQK-UHFFFAOYSA-N 278.566 4.575 30 10 CJEE C=CCCCN(C)C(=O)c1c(-c2ccccc2)oc(C)c1C 444091735 YHDMKWVSQPASMB-UHFFFAOYSA-N 297.398 4.602 30 10 CJEE C=CCCc1ccccc1NC(=O)NC(C)(C)CCC 505017231 SLADMKWRBQGLRD-UHFFFAOYSA-N 274.408 4.505 30 10 CJEE C=CCCCCCN[C@@H](C)c1csc(C(C)C)n1 562349539 YGEINNCYKYZUHX-ZDUSSCGKSA-N 266.454 4.664 30 10 CJEE COc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 575381714 YGJRBPQZMLQXAF-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1cccc(CC#N)c1 689802469 RDBJWYLGEYPPNY-AWEZNQCLSA-N 256.393 4.523 30 10 CJEE C=C(C)CC[C@H](NCC)C(CC)(CC)C(F)(F)F 690218424 STPCMRPUXDQYCF-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C)c(C)c1 692265546 YVNNIAFFPVJMQR-QZTJIDSGSA-N 257.421 4.528 30 10 CJEE CCCCCCC[C@H](C)NCCCOC(C)(C)C 695282234 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292.435 4.707 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CCC)CNC(C)(C)C 2231020157 SOVZOHRSWITTIM-HZPDHXFCSA-N 269.473 4.695 30 10 CJEE CC(C)(C)[C@H](CS)CO[C@H]1CCCC[C@H]1C(F)(F)F 2231397158 JHOTZNTXLSOKCC-TUAOUCFPSA-N 298.414 4.716 30 10 CJEE CCCCCCCCC[C@@](C)(CN[C@H](C)CC)OC 2231571195 DCPZWAYIEFDANB-SJORKVTESA-N 271.489 4.920 30 10 CJEE CC1(C)CC[C@]1(C=O)Cc1ccc(C2CCC2)cc1 2231593806 KWWDGJYGZDTFFM-GOSISDBHSA-N 256.389 4.502 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@H](C(CC)CC)O1 2231848386 AHQFUMWMFWKIHE-SJORKVTESA-N 269.473 4.878 30 10 CJEE CCCCCCCC[C@@]1(C)NCC2(CCCC2)CO1 2231849408 DLKBDXQEADDDSY-INIZCTEOSA-N 267.457 4.633 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1COC(C)(C)C1 2231925313 WXBHUSTVICENPN-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC[C@@](C=O)(CN(C)CCCCCCC1CC1)C(C)C 2234086511 VTWXSKOASYCWTH-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H](C)C1CCCCC1 2235524231 ODBMVFNUJFMBEX-AEFFLSMTSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)c1csc(C)c1C 2235525056 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PGFLWFXSIYFYHD-SNVBAGLBSA-N 289.366 4.783 30 10 CJEE CCCCCCCOCC[C@@H]1CCCC[C@@H]1NCC 2273191739 MKIBMMIHJNVNLS-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE O=CC1(C[C@@]23CCCC[C@H]2CC3)CCC(F)(F)CC1 2273415726 DUASBRWTDXJLMK-ZFWWWQNUSA-N 270.363 4.742 30 10 CJEE Nc1cc(Cl)c(OCC#CC2CCCCC2)c(Cl)c1 2274116348 QHSYUGRXCGEQRS-UHFFFAOYSA-N 298.213 4.538 30 10 CJEE CC(C)c1ccc(C(=O)CC#CC2CCCC2)cc1 2274131219 PHOUGUDLZIDZAZ-UHFFFAOYSA-N 254.373 4.576 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C1(C)CC1 2276653761 MTJBTPXKIWQWIT-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCCCCCC[C@@H](OCCN)[C@H](C)C(C)(C)C 2276978273 NBEABUHANVKNLG-JKSUJKDBSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@]1(C)CC1(C)C 2277365149 IZVODIOXGLMPTL-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1nncs1 2278236665 NRVIUVWTLSQDIX-KBPBESRZSA-N 283.485 4.718 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@H](C)O1 2278239464 ZCHCFWYXFFONJA-YESZJQIVSA-N 269.473 4.673 30 10 CJEE Cc1cc(Oc2cc(Cl)c(N)cc2Cl)ccc1C#N 2279016626 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CCCC#CC[C@](C)(CCCCCCC)OCCCN 2292879563 PBCCUQGOBWMZKK-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@H](CC#CC(C)(C)C)OCCN 2292900508 WBNRALHIHQXING-QGZVFWFLSA-N 281.484 4.521 30 10 CJEE C=CCCCC[C@H](OCCN)c1ccccc1C(C)C 2293275771 WBKNQKRKVIHYQU-SFHVURJKSA-N 275.436 4.573 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1(CF)CCC1 2293464782 YHTBJYSINVAEEI-MRXNPFEDSA-N 287.463 4.611 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CCC1(C)C)OCCN 2293890573 QBNMODYRJRHDNI-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@H]1CC1(C)C 2294562185 LRCAVNXZQQUTSW-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@](C)(O)CC(C)C 2295668424 IAUPAOGPTUTKQH-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)[C@@H](C)C(C)C 2295679725 RZFDXLAJTZFXBR-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@@](C#N)(NC)C(C)C 2295763995 OIHLYMYFURDBCO-SJORKVTESA-N 298.540 4.854 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1ccc2oc3ccccc3c2c1 2295801899 LXSRECYYDONTQV-WBMJQRKESA-N 265.356 4.798 30 10 CJEE C=CCC(CC=C)Sc1nc(Cl)c(C(C)=O)s1 2298890065 ABLNHMMISKXLBM-UHFFFAOYSA-N 287.837 4.612 30 10 CJEE C=CC[C@H](C)Sc1cc(C)sc1CNC(C)C 2298951057 VISGAKMFHIKKRW-NSHDSACASA-N 269.479 4.611 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1C[C@@H](SC)C1 2299402764 FPDSWOYIMNYKBN-QLFBSQMISA-N 257.487 4.596 30 10 CJEE C=CCCCCCCCC[C@@](C)(N)CCSC 2301804878 DFZQWNQXCCYKGM-OAHLLOKOSA-N 257.487 4.764 30 10 CJEE CC(C)=CCC[C@H](C)OCC1(CS)CCCC1 2302766216 RXQSCXBXRAGNIX-AWEZNQCLSA-N 256.455 4.628 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(F)c(C)cc1Cl 2304076567 QVGKOGIKKUNABB-UHFFFAOYSA-N 254.732 4.573 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C)cc(Br)c1 2304116473 YVEIODISTBMPPJ-HUUCEWRRSA-N 297.236 4.783 30 10 CJEE CCCC#CC[C@@H](O)c1c(Cl)cc(C)cc1Cl 2307625163 GHVKKJYTECZCCO-CYBMUJFWSA-N 271.187 4.529 30 10 CJEE CSc1cc(SCCC2CCC2)ccc1C#N 2308062407 CITNVDBJOAEMBQ-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2C[C@H]1C[C@@H]2N 2308987755 UELZSSXNTFPNDN-YHUYYLMFSA-N 255.421 4.593 30 10 CJEE C=CCC(CC=C)SC[C@H](N)C1(C)CCCCC1 2313524934 QTULRHBPFNDBCS-HNNXBMFYSA-N 267.482 4.538 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)cc1C(F)F 2313637954 HRJVGYSQOGZCIE-UHFFFAOYSA-N 269.360 4.819 30 10 CJEE C=CC[C@H](C)S[C@@H](C)C(=O)c1ccc(C)c(C)c1 2313695973 QNDIGUUFAAQRJV-KBPBESRZSA-N 262.418 4.572 30 10 CJEE C=CCC(CC=C)c1ccc(OCC(F)F)cc1 2316738240 GCQWCHQSLFYDOE-UHFFFAOYSA-N 252.304 4.566 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C)c(F)c1Cl 2321105141 MPMOIMNCJZZGIS-CQSZACIVSA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCC(C)(F)F)NC 2321118867 VQYKMGCKCSDEMP-UONOGXRCSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC(F)(F)CC)NCC 2321126713 CNCVBLPHPQHLTG-KGLIPLIRSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1cccc(Cl)c1Cl 2321135067 SESUADQDDYJVMV-ZFWWWQNUSA-N 286.246 4.856 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2321140708 JNTAPPNFCOVWRV-LSDHHAIUSA-N 286.246 4.856 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1CCCC2(CC2)C1 2321237348 LXIOOBNQGZKZEC-JYJNAYRXSA-N 250.426 4.700 30 10 CJEE CCCOc1ccccc1C=NNc1ccc(Cl)cc1 2322953251 RMMHGFGZYRVGOI-UHFFFAOYSA-N 288.778 4.575 30 10 CJEE CC(=NOCc1ccccc1Cl)c1ccc(F)c(F)c1 2330492787 WWLYNORQQPUUIN-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(CC)cc1 2337067257 IPCNQPSSEXJVKS-JCGIZDLHSA-N 257.421 4.644 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(CC)cc1 2337108726 IPCNQPSSEXJVKS-ZTFGCOKTSA-N 257.421 4.644 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H]1C[C@@H]1C1CCCCCC1 2338743461 FOGLTVBPOJUSLJ-SQNIBIBYSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](C)C1CCCCC1 2338747920 VESXLRIDEXQPJI-YJBOKZPZSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C(F)F)o1 2338749690 LJSPKJAEVRXJDY-CQSZACIVSA-N 269.335 4.636 30 10 CJEE N#Cc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2CC3)c(Cl)c1 2339014302 QLEYYLWSKMZIIL-DETPVDSQSA-N 274.795 4.592 30 10 CJEE CCN[C@H](C#CC1CCC1)c1ccc(Cl)c(Cl)c1C 2339153130 MPJUHHJPAXWHSI-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C)CC(C(F)(F)F)C1)NCC 2344342048 GYNMDVUSIUQPBH-NELGMTEASA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CC(C(F)(F)F)C1)NC 2344348592 MFTFABACODSCFT-LXVYMNJGSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)c(Cl)cn1 2344373320 ZJNOXGIGDYHTMI-HOTGVXAUSA-N 280.843 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1[C@@H](C)C1(F)F)NCCC 2344374157 GLTQEQKPBKHZAE-QPSCCSFWSA-N 273.411 4.638 30 10 CJEE C=CCCC[C@@H](NCCC)C12CC(CC(F)F)(C1)C2 2344864678 XIOSZPMYKJWBOE-IUDNXUCKSA-N 271.395 4.536 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(SC)c1 2353833168 AOVDGWBXSCASQL-SWLSCSKDSA-N 274.433 4.661 30 10 CJEE CC(C)C[C@H](CS)CN1CCC2(CCCCCC2)C1 2353837184 BONQKSDJZYNDEO-INIZCTEOSA-N 283.525 4.625 30 10 CJEE N#C[C@H](C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)c1cccs1 2354879639 REWCNPABHYRRGZ-AJNGGQMLSA-N 287.428 4.531 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NCC 2358948447 VSCINFCNFPOHJM-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCCC1CCC(C#N)(C[C@]23C[C@H](CO2)C3(C)C)CC1 2359784027 KFPDVILXNDIFIS-NRLXWARBSA-N 275.436 4.692 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC 2360208406 OFDVXPUWBYALRU-DZJNRPSUSA-N 289.488 4.609 30 10 CJEE C=CCC(CC=C)OCc1ccsc1CNCC(C)C 2360214890 OFVSIGIODBOQPW-UHFFFAOYSA-N 293.476 4.531 30 10 CJEE C=CCC(CC=C)SCCCC[C@](C)(C#N)NC(C)C 2360332539 CRIQETUEUXVNBX-QGZVFWFLSA-N 294.508 4.691 30 10 CJEE C=CCC(CC=C)SCC(=O)c1cc(C)n(CC)c1C 2360374629 KOHKUFPTSDDMAT-UHFFFAOYSA-N 291.460 4.562 30 10 CJEE COc1ccc2c(c1)CC/C(=C/c1cc(C)ccc1C)C2=O 6646672 QCZCCUAGJGXZPO-WJDWOHSUSA-N 292.378 4.525 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 36973592 NECIETVXODCHFA-ZWNOBZJWSA-N 282.309 4.568 30 10 CJEE N#Cc1cccc(NCc2ccc(-c3ccccc3)s2)c1 37203168 DMCFRAJKXHFMKV-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1ccc(C#N)c(Cl)c1 37393191 KZJKDGJINFOSLU-AAEUAGOBSA-N 264.800 4.838 30 10 CJEE Cc1cc(CNc2cc(Cl)ccc2C#N)c(C)s1 49685822 GVQSSICHKPIRQL-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE N#C[C@H](CCc1ccccc1)c1ccc(Cl)cc1 57685269 DQOKFVKFTYVZIM-HNNXBMFYSA-N 255.748 4.580 30 10 CJEE COc1ccccc1C[C@H](C#N)c1cccc2ccccc12 57756272 CXFJAXKIBZWVAX-QGZVFWFLSA-N 287.362 4.698 30 10 CJEE CCCCCCOc1ccc(/C=C/C(C)=O)cc1OCC 57987869 FAHJXBQPDMSCAZ-MDZDMXLPSA-N 290.403 4.647 30 10 CJEE Cc1ccc(C(=O)/C=C/c2ccc(OCC(C)C)cc2)cc1 62167846 DRHPEIAYJIKTNO-MDWZMJQESA-N 294.394 4.926 30 10 CJEE C[C@H](C#N)[C@H]1CCCC[C@@H]1c1ccccc1Br 62707340 UCCHJICDJQLOTG-UPJWGTAASA-N 292.220 4.883 30 10 CJEE C=CCCNc1cc(Cl)c(Cl)cc1Cl 70591284 BYHQLBJSGKSACF-UHFFFAOYSA-N 250.556 4.635 30 10 CJEE CCc1cc(-c2cc(C#N)c(C(C)(C)C)o2)ccc1OC 77085364 DVXNRQPRGRCKML-UHFFFAOYSA-N 283.371 4.687 30 10 CJEE Cc1ccc(C)c(SC[C@@H](C#N)c2ccccc2)c1 80800692 VYJCLUHJJMULBG-MRXNPFEDSA-N 267.397 4.703 30 10 CJEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 83194180 GQFKMZFELBVYCJ-CMDGGOBGSA-N 280.367 4.517 30 10 CJEE CC(C)COc1ccc(C(=O)/C=C/c2cccs2)cc1 83204764 UZECYFPRRCLJNW-MDZDMXLPSA-N 286.396 4.679 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(Cl)ccc2OC)C1 87996917 MIVRIYQTXNIFQU-BLLLJJGKSA-N 277.795 4.611 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C2(O)CCC(C(C)C)CC2)C1 91878730 STCCBTQDQAOCAX-NALMEZQBSA-N 277.452 4.674 30 10 CJEE SCC1(CN2CCCCCCC2)CCCCCC1 94578837 GEDPGNBKIBAYKT-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC1(CS)CCCC1 94583777 QRWCTAKIIWPSJJ-BZUAXINKSA-N 284.509 4.954 30 10 CJEE CC(C)CC1(C(=O)[C@@H](C#N)c2cccc(F)c2)CCCC1 94902694 HICWHHDIQPVBGX-INIZCTEOSA-N 287.378 4.608 30 10 CJEE O=C(/C=C\c1csc(-c2ccccc2)n1)c1ccccc1 96766180 LEDCZKLWQJHQPE-QXMHVHEDSA-N 291.375 4.706 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1nccc2ccccc12 97208803 SYLYSPOVVQFTKV-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE Cc1nc2c(n1CCCCCCCCCS)CCCC2 97800037 GDEGGXQSPLMBAQ-UHFFFAOYSA-N 294.508 4.731 30 10 CJEE CCCCCCCCOCc1cc([C@@H](C)N)ccc1OC 103019598 HEKCPWYZJDTHMH-OAHLLOKOSA-N 293.451 4.592 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1N 103990127 NDDYQUCXNKHZSV-IXDOHACOSA-N 269.473 4.660 30 10 CJEE CC#C[C@H](C)Cc1ccc(OCC)c(C(C)(C)C)c1 107591443 ZULMHUYQKURDOT-AWEZNQCLSA-N 258.405 4.585 30 10 CJEE CCCCCCCCCCN1CCC[C@H]([C@@H]2CCCN2)C1 109687777 SNVDGPZMPFMLNQ-OALUTQOASA-N 294.527 4.591 30 10 CJEE CCCCCCCO[C@H]1CCc2ccccc2[C@H]1NCC 110081422 QYSAHERVLGEAIN-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE CCCCCCCCCCN[C@@H](CC(C)C)CN(C)C 110166825 SCHBXXYBAMZQBF-SFHVURJKSA-N 284.532 4.693 30 10 CJEE CCCCCCCCOCCN[C@H](C)CCCCC 110239523 TZGXRLNDSGRPBJ-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(OC)cc1 112884873 PSICBXJYMRCCMQ-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE CCCCCCCC[C@@H](Cc1cccc(OC)c1)NCC 112893733 HNOFRUVGLBFDMC-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCN1C[C@](C)(C2CC2)NC[C@@H]1CC 114070122 DTNYQWJRSPJKQE-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@@H]1CCC 115232542 LFLMYFRFMSVUDF-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CC(C)C1CCC(C#N)([C@@](C)(O)C2CCCCC2)CC1 122106239 UUAVVQLLHNCMHZ-NXYGQSRBSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnn(CC)c1 129020563 OBFMMRFBFLSJKW-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCC[C@H](NN)C(CC)CC 131275239 ZESKMSFVKPZUCH-INIZCTEOSA-N 256.478 4.785 30 10 CJEE C=CCC[C@H](C)Nc1cc(Br)ccc1Cl 131997294 HQKAMKIRFGSSNA-VIFPVBQESA-N 288.616 4.869 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc2c1OCC2 133485339 DKZTUKIIYNWRPG-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H]1CNC1CC1 133631927 UKEKEOBNFRIZTR-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H](C)OC 135556587 KIWPGWJMSMOTLS-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE CCCCCCCCCC(=O)OCC(F)(F)C(F)F 139574174 BDCZMQIHMJJKBF-UHFFFAOYSA-N 286.309 4.571 30 10 CJEE CCCCCCCC[C@H](CCOCCC)NCC 140317748 HLRCNTYVXIOLEI-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE c1ccc(C/N=C2/CCCC[C@@H]2c2ccccc2)cc1 146604194 DMFNDZYQOHPIOI-PXBNPBHZSA-N 263.384 4.985 30 10 CJEE COc1ccc(C#N)c(Nc2cccc(Cl)c2Cl)c1 149920179 MRMMHNDMHZFSBZ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCCC[C@H](N)c1ncccc1CC 157495697 QBTGTYORIHTMJX-INIZCTEOSA-N 262.441 4.785 30 10 CJEE CCCCCCCCCCC[C@H](O)CCc1nccn1C 159768293 DFRJBTBSBBXTOI-KRWDZBQOSA-N 294.483 4.635 30 10 CJEE Cc1ccc(N(C)c2ccc(C(F)(F)F)c(C#N)c2)cc1 164455706 RUGPQVGBGOCXNZ-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1nccn1C 166117862 CPUZZOLQRLQLBO-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1CCC(F)(F)F 185830548 OWNWMRLNWSHYMX-LBPRGKRZSA-N 299.336 4.722 30 10 CJEE N#Cc1ccccc1CSC1=Nc2ccccc2SC1 212891674 RUWCJCZMFLYPKS-UHFFFAOYSA-N 296.420 4.627 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCC[C@@H]2C(C)C)cc1 214712552 QIYOFALELXNYQE-IAGOWNOFSA-N 256.393 4.516 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC 219684032 ZWRNJOQQQGISJP-XHSDSOJGSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCCC[C@H]1N 226746096 DIHYAEGCZKFTOQ-DLBZAZTESA-N 281.484 4.994 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C(C)C)CC[C@H]1CNCC 227529769 DZSBGITVNQMZSY-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)cc(Cl)c1 229753332 BHQMPPIUNVCTCX-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCCO[C@H]1CCc2ccccc2NC1 232932018 VQMOMWWNFRSQOB-KRWDZBQOSA-N 275.436 4.790 30 10 CJEE CCCCCCCOc1nc(NCCC)c(F)cc1F 232954484 VNKHLMMTKYRDNS-UHFFFAOYSA-N 286.366 4.531 30 10 CJEE CCCCCCCCCc1nc(C2CC2)sc1N 232962100 KLZSXXVUOUMKES-UHFFFAOYSA-N 266.454 4.896 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccncc1Cl 233124855 TXWKZBIECFLLTK-INIZCTEOSA-N 280.843 4.912 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cccc(C)c2C#N)CC1 233929195 RCLDJOQOKOTLCY-HUUCEWRRSA-N 256.393 4.638 30 10 CJEE SCC1(c2ccccc2Br)CCCCC1 259573108 YRIGIFHWEFWKLS-UHFFFAOYSA-N 285.250 4.581 30 10 CJEE C=CCSc1ccc(C(=O)CC)c(OCC(=C)C)c1 260996428 FHQYFAXAGBDFGL-UHFFFAOYSA-N 276.401 4.512 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C#N)C[C@H]2CC[C@H]1C2 300515156 APDBNDSCWDZYNF-XLAORIBOSA-N 277.452 4.818 30 10 CJEE C=C([C@H](NCCC)c1ccc(Cl)cc1F)C(F)(F)F 311544951 USTIUTGOHLXPHP-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1csc(Cl)c1 313422398 DVJVDGOODZPZFW-SNVBAGLBSA-N 276.792 4.641 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CCC2(CCCCC2)O1 384885842 SBCGNHDQZGBWEO-ZACQAIPSSA-N 275.436 4.978 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CSc2ccccc21 386723138 AQUHZEUCDVJXJO-GJZGRUSLSA-N 289.488 4.846 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)cc1 394519408 SWJZMRHHMIKZGH-NOGSDAMLSA-N 299.458 4.556 30 10 CJEE N#CC1([C@H](O)CC2CCCCCC2)CCCCCCC1 394637896 TTXWYQYMLAGMBW-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)C(C)(C)C 397485629 BGGLYSQNUZHQKP-JSGCOSHPSA-N 278.827 4.519 30 10 CJEE CCCCCCCCCCCCNCCOC(F)F 398249145 HDKAGPHYKBOGTO-UHFFFAOYSA-N 279.415 4.736 30 10 CJEE C=C[C@@](C)(CNC(C)C)C[C@H](CC)CC(F)(F)F 402575448 QVVRJWJRSUORFK-QWHCGFSZSA-N 265.363 4.545 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@H]3C[C@@H]3C2)c1C#N 403559157 UUWKYLXLSDCTJR-RDBSUJKOSA-N 286.444 4.518 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](C)OCc1ccccc1 404388483 QXPWUCHCDFEPAZ-HKUYNNGSSA-N 289.463 4.706 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnsc1 404587949 GNASWJXEYXBJKM-AWEZNQCLSA-N 254.443 4.544 30 10 CJEE C=CCCc1ccccc1NC(=O)C1(CC)CCCC1 410352779 JFEZNAGSFCOZDJ-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCCCN(C)C(=O)c1ccc(C(C)C)c(Cl)c1 466984342 AKDBQHHZBGHATP-UHFFFAOYSA-N 279.811 4.502 30 10 CJEE CCCCCCCCC[S@@](=O)C1CCCCC1 586376285 NKDRLVYDQKUWGB-QGZVFWFLSA-N 258.471 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)c1ccccc1 686667179 HVQUTDRDWRRTDQ-SJLPKXTDSA-N 271.448 4.689 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CC2(CCC2)C1 686691227 PTLQUWRTFLKAMJ-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cc(C)nn1C 686742610 DCFLKYFECONIJW-INIZCTEOSA-N 279.472 4.649 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]12CCC[C@@H]1OCC2 687404974 WVSJTRARBPEDBS-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@]12COC[C@H]1C2 689162838 KTJFFUUWAQXAMJ-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCC1CCC(C#N)(CC2(OC)CCCCC2)CC1 692828262 XKRRXYGSHZEICG-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)c(F)c(Cl)c1 695816754 LRKPNMAWAQGSPN-MRVPVSSYSA-N 289.181 4.873 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H]1CCC[C@H](C)CC1 697824371 GYVSKBGVTOKNCO-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2cc(C(C)(C)C)ccn2)C1 699600683 RNOYAMMKYBULRM-KSSFIOAISA-N 270.420 4.741 30 10 CJEE N#Cc1cc(Cl)ccc1NCCc1cccc(Cl)c1 702861536 VSVAFCPTJLTXSJ-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC[C@H](C2CCCCC2)C1 708236952 XMNMKBFPRANDHR-IRXDYDNUSA-N 297.552 4.871 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H](CCC)C1 708406620 KVLAIHWEGOGIIU-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C[C@H](C[C@]1(C#N)CCCc2ccccc21)C(C)(C)C 711248367 LOCMDBRJGDYNHD-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 715787290 LWCCEJTWYSQLQX-JONQDZQNSA-N 251.458 4.639 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 720882897 HFGPAKIDDSOYMS-NNCLKIPCSA-N 275.436 4.690 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1ccc(C#N)c(F)c1 720979903 TWXLTAZJUHKOCD-OAHLLOKOSA-N 274.383 4.858 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H](C)O[C@H](C)C1 724238730 VTXHVRKDBOOOIS-PIIMJCKOSA-N 283.500 4.920 30 10 CJEE C=C1CCC(/C=C2/CCC[C@@H]2[C@@H]2CCCCN2)CC1 724606599 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1308187604 VHHFWQDRLGIKFO-IMFGXOCKSA-N 299.458 4.556 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 1435675291 LJZQTLLTDLRBGL-RTYFKUQISA-N 299.458 4.858 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@H]1CCC[C@H]1c1ccccc1 1436654792 FJZBNRQJLWLLPU-OALUTQOASA-N 297.442 4.550 30 10 CJEE C=CCCC[C@H](C)NC/C(C)=C/c1ccccc1COC 1461388543 FOLIBLDXMAEOTG-MAUBAPBLSA-N 287.447 4.571 30 10 CJEE C=CCC[C@H](N[C@H]1CCC[C@H](SC)C1)c1ccccc1 1474078960 RKQGZKRVQCGJHD-BZSNNMDCSA-N 289.488 4.958 30 10 CJEE C=CCC[C@H](CC)NCCCc1cccc(Cl)c1 1474487870 VXURMSIUZQVISO-INIZCTEOSA-N 265.828 4.607 30 10 CJEE C=CCC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CCCC1 1514864111 KAZUASYMSBAECJ-FUHWJXTLSA-N 297.442 4.528 30 10 CJEE C=CCC1(C(=O)Oc2cc(C)c(C#N)c(C)c2C)CCCC1 1525617746 UCTUYMXIZITRON-UHFFFAOYSA-N 297.398 4.525 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)CC1CCCC1 1526100053 RLNPFMZVCKGPID-IBGZPJMESA-N 299.458 4.808 30 10 CJEE C=CC1(CC(=O)N[C@@]2(C)CCCC[C@H]2C)CCCCC1 1528073588 PNUURZBLLQOVMB-WBVHZDCISA-N 277.452 4.598 30 10 CJEE C=C(C)CCC(=O)NCC(C)(C)CCCc1ccccc1 1529743429 HYDADDORJWXPOI-UHFFFAOYSA-N 287.447 4.508 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCc2ccc(Cl)c(C)c21 1532026819 RDRXDBZSHGROKG-CYBMUJFWSA-N 291.822 4.530 30 10 CJEE C=CC(C)(C)CCNC(=O)c1cc2cccc(C)c2s1 1533451705 QWTNPKAQDCHWEW-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=C(C)CCN[C@H](c1ccccc1F)C1CCCC1 1559681922 UICDVRKBUNUCHH-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CC[C@H]1CC[C@H](NCCCSc2ccccc2)C1 1560256752 HEYKKPYSFDYPBB-HOTGVXAUSA-N 275.461 4.503 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3cc(C)cn3c2)c1 1603447439 WFJMJIDTAOGVHY-UHFFFAOYSA-N 290.366 4.533 30 10 CJEE C=CCC1(NCc2nc(-c3ccccc3)cs2)CCCC1 1620423943 ZSLRXDBUXRWJSX-UHFFFAOYSA-N 298.455 4.789 30 10 CJEE C=C1CCC(CNc2nc(-c3ccccc3C)ns2)CC1 1640381540 JAGGDYCBKKJLIC-UHFFFAOYSA-N 299.443 4.672 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C(CC(C)C)CC(C)C)C1 1641029875 MTBHWEOSMVIGMN-INIZCTEOSA-N 279.468 4.510 30 10 CJEE C=CCCCCN(c1ccccc1F)C1CCCC1 1642115511 ISMTWRSZCSAYEG-UHFFFAOYSA-N 261.384 4.931 30 10 CJEE C=CCCC[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccccc1 1651483877 FNXRXORWAPWFAP-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=CC[C@H]1N(C[C@@H]2CC3CCC2CC3)CCCC1(C)C 1653458058 YTNYZMUTQSXWRZ-ZGUYJTEBSA-N 275.480 4.879 30 10 CJEE CCCCCCCCN1CCS[C@@H]2CCCC[C@H]21 1653498508 WLRYRIATSOGGHD-HZPDHXFCSA-N 269.498 4.707 30 10 CJEE C=CCCCCCCNC(=O)Nc1c(C)cccc1Cl 1669996110 NZTCLQHSIRFPDJ-UHFFFAOYSA-N 294.826 4.906 30 10 CJEE Cc1ccc(C(=O)ON=C2CCCCCCC2)cc1C 1860820832 SUYDDQJODBCALI-UHFFFAOYSA-N 273.376 4.561 30 10 CJEE CCC[C@H](CC)N(C)[C@H]1C[C@H](CCC)CC[C@@H]1C#N 1879296531 PRJKTHBZYZFUMZ-NCOADZHNSA-N 264.457 4.605 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@H](CC)CCC 1879354358 XNZHXMAGKVXBNE-SJORKVTESA-N 270.505 4.575 30 10 CJEE CC#CCCC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 1879642556 AFCLLHQJZFLUGU-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE C=C1CCC(CN(C)C2CC(C)(C)C(C)(C)C2)CC1 1884406650 FSKFDFHEKYXXCD-UHFFFAOYSA-N 263.469 4.879 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1C2 1885226445 CIBYJLFGDYAJTI-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCC[C@@H]1C(C)C 1885235879 HUIYFRHFSMXCIP-SQNIBIBYSA-N 263.469 4.621 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNC(C)C)CCCCC1(C)C 1887475638 OFTMATWMKSMMTQ-SJLPKXTDSA-N 263.469 4.621 30 10 CJEE CCN(c1ccc(Cl)cc1C#N)C1CCCCCC1 1888650405 NTPCYWSIZSMLHG-UHFFFAOYSA-N 276.811 4.761 30 10 CJEE C=C(C(=O)CSc1ccccc1Cl)c1ccccc1 1888690511 XTJNVOZFSGDREJ-UHFFFAOYSA-N 288.799 4.715 30 10 CJEE CC(C)Sc1cccc(Cl)c1[C@@H]1C[C@@]1(C)C=O 1906079110 QBSKXDCDWSUWJP-HZMBPMFUSA-N 268.809 4.533 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CC2(CCCC2)C1 1912623925 FRQGTZBZTVLDOM-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@@H]1CCC2(CCCCC2)C1 1916125109 DSXFQXLJUWZHNH-HZPDHXFCSA-N 276.468 4.750 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@](O)(CC)c2ccc(Cl)cc2)C1 1921034447 SLVQSOOZVIGTOP-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE CC[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC23CCC3)CC1 1921307730 ZJJLWBJQPUYXHG-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCSc1cccc(N(C)CC[C@H](C)CC)c1C#N 1926056489 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C=CCCCCCC[C@H](O)C1(C2CC2)CCCC1 2085845476 WYHLOAXSVVPDNV-INIZCTEOSA-N 250.426 4.844 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc2c(s1)CCC2 2085848824 FGQGDUDPBOBCCN-CQSZACIVSA-N 264.434 4.797 30 10 CJEE C=CCCCCCC[C@H](O)[C@H]1CCCC2(CC2)C1 2085851987 MSXROQKUEPZRFB-HOTGVXAUSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1F 2086279439 UAGDCVBTGPHACC-PMPSAXMXSA-N 255.421 4.629 30 10 CJEE CCCCCCCCCCC[C@H](O)C1=CCOCC1 2089404369 NJKRQIRVSZPBMV-KRWDZBQOSA-N 268.441 4.615 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCCC)[C@H](C)CCC 2091313319 DYCHAOIVWPBRQC-IKGGRYGDSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)c1cccs1 2092182078 PBVNZAZOAZBKTB-HOCLYGCPSA-N 283.481 4.510 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)C(C)(C)CC 2092186529 OPJJKVFIIRPQBT-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1C(F)(F)C12CC2 2095596289 ILOFATQZDHTSPP-UONOGXRCSA-N 274.395 4.923 30 10 CJEE CCCCCCCCC[C@H](O)c1coc(C(F)F)n1 2097220701 FBDLSYVCIWKWID-LBPRGKRZSA-N 275.339 4.786 30 10 CJEE 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84858484 AXSLXAFEHHZKRU-UHFFFAOYSA-N 298.389 4.765 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)CC1 86891545 GRCZSLKJRYBKLT-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE Cc1cc(C)cc(C[C@@]2(C#N)CCCc3ccccc32)c1 87930161 FQNKPRCBLACIOS-HXUWFJFHSA-N 275.395 4.644 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C(F)(F)F)c1F 94601404 BZLPBKXASOHYTG-ZDUSSCGKSA-N 289.316 4.851 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 97220108 BCCPFKVZTJJRBO-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CC(C)c1ccc(C(=O)/C=C\Nc2ccc(F)cc2)cc1 103029917 SSDYRZQTGBDGLZ-QXMHVHEDSA-N 283.346 4.758 30 10 CJEE CCCCCCCCC[C@@H](CCC)CNCCOC 104006307 WHJZUBJQXKQQAX-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE CCCCCCC[C@@H](C)NCc1cc(F)ccc1F 104267873 RECXQVUUQBTMOH-CYBMUJFWSA-N 269.379 4.803 30 10 CJEE C=CC[C@@H](CC)c1ccc(C(F)(F)F)cc1OC 107476554 BMQLLSFOJNIMBV-SNVBAGLBSA-N 258.283 4.784 30 10 CJEE C#CC[C@@H](CCC)c1cc(Cl)ccc1OCC 107582280 NPDGAAQIWLNCKJ-LBPRGKRZSA-N 250.769 4.646 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCC)c(C(C)C)c1 107598916 MURBKDWXAGVOCH-HNNXBMFYSA-N 258.405 4.801 30 10 CJEE CCCCCCCCCCN(CCO)Cc1ccccc1 110051630 DQMDTPWQKRMPMV-UHFFFAOYSA-N 291.479 4.622 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1C=O 110311124 DGSMRVKOHWWHLR-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2ccc(Cl)cc2C#N)C1 110354398 XHNSIFJTXXBFCJ-ZWNOBZJWSA-N 265.809 4.882 30 10 CJEE CCCCCCCOc1cc(OCCC)c(F)cc1N 110642556 GQADQCIGQOGAQR-UHFFFAOYSA-N 283.387 4.546 30 10 CJEE CCCCCCCCC(=O)C1(N2CCCC2)CCCC1 118176583 KNKZRKFTTTVERC-UHFFFAOYSA-N 279.468 4.715 30 10 CJEE CCCCCCCCCn1ccc([C@H](NC)C2CC2)c1 118248607 MMBNUPGPRIHVLT-GOSISDBHSA-N 276.468 4.909 30 10 CJEE C#CCCC[C@H](NCCC)c1ccccc1C(F)(F)F 122843320 COGKLCUBCXEMFK-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)c(C)cc1C 123459348 REZOGOUNXWGSEV-SFHVURJKSA-N 276.468 4.867 30 10 CJEE CCCCCCCCCOc1c(F)cc(C=O)cc1F 125055876 KMOYZPZPEWSUKJ-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](OC)C(C)C 127986680 BAXLVSJLSFIGKP-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](C)COC 135559614 BXYBUFIUAYROJT-HZPDHXFCSA-N 258.446 4.551 30 10 CJEE CCCCCCCCC[C@H](N)Cn1cnc2ccccc21 139387964 ZHSJIKCSKIOGFS-INIZCTEOSA-N 287.451 4.504 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CC)CC[C@H]1CNCC(C)C 156100388 WOOPDQHQFVGEDR-YESZJQIVSA-N 251.458 4.641 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 156141624 TXCANJMSSVSDTD-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCC1CCC(C#N)([C@@](O)(CC)c2cccc(F)c2)CC1 167007208 CIFQGCWRHSPWFC-IUPXNIOVSA-N 289.394 4.533 30 10 CJEE CCCCCCCCCCC(=O)CCCCCCN 167058640 UJWUDKKAJQHGDA-UHFFFAOYSA-N 269.473 4.996 30 10 CJEE CCCCCCC[C@@H](Cc1ccn([C@@H](C)CC)n1)NCC 168503922 LGUAPUYJCQUAIV-IRXDYDNUSA-N 293.499 4.735 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC1(C)C 189873013 QPSOOYBCIPJOKX-OAHLLOKOSA-N 271.404 4.523 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)SC 189896066 GBXUWBSUYMHQPK-ZDUSSCGKSA-N 291.460 4.619 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1cccc(C)c1 203276366 LWHIIQPVGBCTQP-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2c(C)cccc2C)C1 215756530 JVFUVQKXFUOSFB-WMZOPIPTSA-N 255.405 4.956 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1nccc(-c2ccccc2)c1C#N 218489306 PTAYJWMRQRXXIU-RDTXWAMCSA-N 291.398 4.611 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 228821791 SVDDMWVEVZPQQO-NEPJUHHUSA-N 271.326 4.711 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@H]1CCCO1 229275362 ZCVJGFZMWMYQRY-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCc2cccnc21 229816859 YBRUKUJSRGEFME-ROUUACIJSA-N 288.479 4.840 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 230988889 NMXYLYIONFYVHC-DOMZBBRYSA-N 276.811 4.838 30 10 CJEE C=CCCCCCC(=O)c1ccc2ncccc2c1 232569252 ZXFGNOAAWYFZDP-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CC[C@](C#N)(CCCSC1CCCCC1)NC(C)C 234163261 YPFDTTQLIFMNRL-MRXNPFEDSA-N 282.497 4.503 30 10 CJEE O=C(C1=CCCCCCC1)C1C2CC3CC(C2)CC1C3 236400822 DVDUKTRSADREDP-UHFFFAOYSA-N 272.432 4.908 30 10 CJEE N#CC1(c2ccc(F)c(-c3ccccc3)c2)CCCC1 260383445 VIJFPFVWRIOXMZ-UHFFFAOYSA-N 265.331 4.828 30 10 CJEE CCCCCCC[C@@H](C)NCC(CC)(CC)OC 310809465 BVNFXVLGYMPKBF-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C([C@H](NCC)c1cccc(Cl)c1Cl)C(F)(F)F 311018472 NMAIUEZTSXRCHK-NSHDSACASA-N 298.135 4.763 30 10 CJEE CC(C)(C)CCCNc1ccc(C(F)(F)F)c(C#N)c1 313479058 HIZUTCAHGKSTBF-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](CC)C1CC1 324768806 YNBWTKMDFUQLJL-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCNCc1csc(C)c1 381415909 SPEKOAXBXFIXII-UHFFFAOYSA-N 253.455 4.897 30 10 CJEE CC(C)(C)C#CCC(=O)C1(c2ccccc2)CCCC1 383559764 WNMBITGAOQUSEE-UHFFFAOYSA-N 268.400 4.507 30 10 CJEE C=CC[C@H](CC)Nc1ccnc2cc(Cl)ccc12 393749940 QIZLSWAZTKJNFY-LBPRGKRZSA-N 260.768 4.655 30 10 CJEE CC(C)(C)[C@@H]1CSC(=Nc2cccc3ccsc23)N1 393986770 ZHMVGVWDVWZRBX-LBPRGKRZSA-N 290.457 4.640 30 10 CJEE CC1([C@@H](C#N)NC2CCCCCC2)CCCCCC1 394681885 ZSKWVMPNPLIZKF-MRXNPFEDSA-N 262.441 4.551 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H](CC)CC(F)(F)F 402646576 QVIXZKKBZSOHQP-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=C(CC)C[C@H](NCC)c1cscc1Br 404786090 ALGDKCXQGQDMBF-LBPRGKRZSA-N 288.254 4.518 30 10 CJEE CCCCCCCCC[C@@H]1[C@H](NCCC)CO[C@H]1C 405738627 OGPJGAUQOVWJQO-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1Cl 446851082 AOSUIYNODJQHND-WZRBSPASSA-N 297.229 4.726 30 10 CJEE CSc1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 512661281 QVQYAEMMJNLCFH-LLVKDONJSA-N 286.375 4.592 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC2CC1(C)C2 666866271 KWURQWAVNLVMBY-UHFFFAOYSA-N 298.430 4.555 30 10 CJEE C=CCCc1ccccc1NCc1nc2ccccc2o1 669661059 KRGJWRIAHSKNDQ-UHFFFAOYSA-N 278.355 4.559 30 10 CJEE C#CCCCCC[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC 686691912 WYYJEZHLVZGVCH-WDSOQIARSA-N 271.448 4.727 30 10 CJEE C#CCCCOc1ccc(Oc2ccc(C)cc2)cc1 686897661 QMWKZTIMUFLRPU-UHFFFAOYSA-N 266.340 4.580 30 10 CJEE CCCCCCCCC[C@@H](N)c1scc2c1OCCO2 691526892 RTGOJHTXRAVTAU-CYBMUJFWSA-N 297.464 4.660 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(F)ccc1F 692233684 CRJHZXFYXQVCRI-AHIWAGSCSA-N 279.374 4.750 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3ccc(F)cc3)C[C@@H](C1)C2 697311010 KDFHYBCZGHADCZ-HPPSQRKUSA-N 273.395 4.611 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1nc(Cl)c(C#N)s1 703772827 WEFGLIQYAKGTKR-OUAUKWLOSA-N 297.855 4.541 30 10 CJEE C=C(CNCC(C1CCC1)C1CCC1)c1ccccc1 704447929 URXUFKBJWFIDJM-UHFFFAOYSA-N 269.432 4.506 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C#N)CCCC(C)(C)C1=O 709239627 XHALRFOLDIKXGW-DYVFJYSZSA-N 263.425 4.738 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cccc(Oc2ccccc2)c1 715029093 OGIUCCOZAIEWKD-RDTXWAMCSA-N 268.356 4.725 30 10 CJEE CCCCCCC[C@H](C)n1cc(CNCCC)c(C)n1 716460635 FSQHXUXONOYNSU-HNNXBMFYSA-N 279.472 4.613 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NCCC 716939379 JWZQDYZJFZKRLZ-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(C)[C@H]1C 719597293 GUEFCYQBCANUJB-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](Cc1scnc1Cl)NC 722019715 MPHMAIMJLAQQER-GFCCVEGCSA-N 288.888 4.678 30 10 CJEE CCCCCCCCCN[C@@H](C1CC1)[C@H]1CCCOC1 723986109 HSPMAFHKSRUJPW-ROUUACIJSA-N 281.484 4.532 30 10 CJEE C=C1CCC(CNCc2cc(Cl)cc(Cl)c2)CC1 724440359 AAQRQWNSJFLZBM-UHFFFAOYSA-N 284.230 4.829 30 10 CJEE C=C1CCC(C[C@H](C[C@@H](C)CC)NCCC)CC1 724591901 FWHZHZDLQSZPGS-YOEHRIQHSA-N 251.458 4.927 30 10 CJEE O=C(/C=C/c1ncc(-c2ccccc2)s1)c1ccccc1 770569570 PFADYTACBKMUTD-VAWYXSNFSA-N 291.375 4.706 30 10 CJEE COc1ccc(C=Nc2cc(Cl)cc(Cl)c2)cc1 1084051809 KYZPPCXECDTJMV-UHFFFAOYSA-N 280.154 4.753 30 10 CJEE C=C1CCC(C(=O)Oc2c(C)cc(Cl)cc2C)CC1 1124301173 OCULRSFSTMTREP-UHFFFAOYSA-N 278.779 4.609 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1ccc(Cl)cc1Cl 1126768605 PKLHRTIXJZLCFJ-JTQLQIEISA-N 287.186 4.639 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@H]1CC 1128305685 YOHSLZONCJFCEP-GDBMZVCRSA-N 271.404 4.570 30 10 CJEE C=CC[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 1128433796 NNLJJUYOFONRJI-PXWWUCIGSA-N 299.197 4.810 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 1131134941 RLQXIMMGMJXJAS-MOPGFXCFSA-N 292.378 4.577 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)CCc1ccc(Cl)s1 1205550958 GNDSHKNACCLTNW-RYUDHWBXSA-N 271.857 4.667 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@H]1CCCC[C@@H]1C 1221964089 RLDRRRIJXDRPIY-DLBZAZTESA-N 294.483 4.591 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1 1229653196 OBBWLRNXVMTXAV-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=CCC[C@@H](NCc1cnc(-c2ccccc2)s1)C1CC1 1320009778 MWGGDJHOIRTOGT-QGZVFWFLSA-N 298.455 4.645 30 10 CJEE C=C(CC)C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 1444938540 MOSHNLVMYYPDKY-MRXNPFEDSA-N 293.410 4.839 30 10 CJEE C=C(C)CN[C@H](Cc1ccccc1)c1sccc1C 1459927019 QTHOECUYGXKEQA-MRXNPFEDSA-N 271.429 4.506 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@H](CCCCC)C(C)C 1461783778 HFIHSLUJTPRPSZ-OAHLLOKOSA-N 267.457 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCCC[C@@H]1C 1470383620 WQFGDVWTBIIUEI-KRWDZBQOSA-N 294.483 4.877 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 1473121046 WXRAGETVJMITGD-MUJYYYPQSA-N 287.438 4.960 30 10 CJEE C=CCCC[C@@H](NC[C@@H]1C[C@H]1CC)c1ccccc1 1473759658 MBIHDMJJPTXAIQ-BPQIPLTHSA-N 257.421 4.720 30 10 CJEE C=CCCCC(=O)Oc1cccc(C(C)(C)C)c1Cl 1527851249 RTPZGZNPNZVNJV-UHFFFAOYSA-N 280.795 4.899 30 10 CJEE C=CCCC(C)(C)CNC(=O)C(C)(C)C1CCCCC1 1534975265 UAZQHRSNEYYOBS-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(\C)c2ccccc2)c1 1539557832 GJHXXAHVTYLEDS-NTCAYCPXSA-N 277.367 4.762 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC(C)(C)Sc2ccccc21 1543849483 QQHUUVSHHOXOSK-ZDUSSCGKSA-N 289.444 4.506 30 10 CJEE C=CCCC(C)(C)CNC(=O)C(CC(C)C)CC(C)C 1543937884 NJYDYONFKBMKQU-UHFFFAOYSA-N 281.484 4.803 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(F)c2ccccc12 1559880711 PVGQPEZIHVWTKP-OLZOCXBDSA-N 257.352 4.594 30 10 CJEE C=CCCCNC(=O)Nc1ccc(CCCCC)cc1 1562101148 YYEMRHBSFQLGHT-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 1563363896 HPULJPRFIRAWHD-WBAXXEDZSA-N 298.430 4.762 30 10 CJEE C=C[C@@H](CC(=O)NC1(C)CCC(C)(C)CC1)c1ccccc1 1588191867 JPLFFQQSRSFOQA-INIZCTEOSA-N 299.458 4.821 30 10 CJEE C=C(C)CN(CC)Cc1cc(Cl)ccc1OCC1CC1 1621213066 PFGXAIDPIBNNOV-UHFFFAOYSA-N 293.838 4.527 30 10 CJEE C=CCCCC[C@@H](C)NCc1cc(F)c(Cl)cc1F 1652339959 DKSBFFMCTBDCTG-LLVKDONJSA-N 287.781 4.843 30 10 CJEE C=CCCCN[C@H](c1ccccc1F)C1CCCC1 1653886270 FWIJMRNQMZMRDP-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CC[C@@H]1N(CCc2c(F)cccc2F)CCCC1(C)C 1654317912 MDDNGGATUNRJHB-KRWDZBQOSA-N 293.401 4.574 30 10 CJEE C#CCC1(NCc2ccc(Cl)cc2Cl)CCCCC1 1654888804 HTQKIZLKGHCZMQ-UHFFFAOYSA-N 296.241 4.809 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(Cl)cc2Cl)C1 1655196284 PAROFKPDOKKFIP-SMDDNHRTSA-N 284.230 4.828 30 10 CJEE C=CC[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 1660233641 DFSWPEMADXIMOZ-NSHDSACASA-N 289.366 4.555 30 10 CJEE C=CCN(CCc1ccco1)CC[C@H](C)c1ccccc1 1664017748 SPIBIMUKEXHAPU-KRWDZBQOSA-N 283.415 4.504 30 10 CJEE C=CCN(C[C@@H]1CCCC[C@H]1CC)c1ccccc1 1664344611 AIGOFIYHHVFNLA-SJORKVTESA-N 257.421 4.895 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@H](C)CC(C)(C)C 1681410073 NCAFWVAHMQGYQX-INIZCTEOSA-N 296.499 4.837 30 10 CJEE C=CCCCCCCCNC(=O)N(C)CCC(C)(C)C 1683131730 UFYSPEKBXZMNRL-UHFFFAOYSA-N 282.472 4.591 30 10 CJEE C=CCN(C(=O)CCCCCC)[C@H]1CCCC[C@H]1C 1860025578 GEVWIJDIGZTOSQ-CVEARBPZSA-N 265.441 4.550 30 10 CJEE CCC1CCC(C[C@]2(C#N)CCOCC2(C)C)CC1 1878361758 XQWZUFCAHSRIMV-DQPZFDDXSA-N 263.425 4.549 30 10 CJEE Cc1ccc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)c(Cl)c1 1885274988 QMPNYADKNTWLDP-STQMWFEESA-N 292.615 4.598 30 10 CJEE CCCCCCCN1CCC[C@@H](OCc2ccccc2)C1 1886767930 ZGLIMUDGUGBJJD-LJQANCHMSA-N 289.463 4.638 30 10 CJEE C#CC[C@H](C[C@@H]1CCCCCCCC[C@@H]1O)C1CC1 1887103310 PBCFBUCGMHGHIF-SQNIBIBYSA-N 262.437 4.538 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)sc1C=O 1899389616 LLEZBJRIXRWENG-UHFFFAOYSA-N 272.822 4.827 30 10 CJEE C[C@@H]1CCC[C@@H](CCN=C2N[C@@H](CC(C)(C)C)CS2)C1 1912051285 HPONVCSHRYNICN-ILXRZTDVSA-N 296.524 4.700 30 10 CJEE CN(C[C@H](C#N)C(C)(C)C)[C@H]1CCC2(CCCCC2)C1 1916126118 NXGBMSUZNZKDFJ-HOTGVXAUSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(Br)o1 1917575262 QXHAELLQNYMLDX-LLVKDONJSA-N 288.229 4.711 30 10 CJEE CCCCCCCCC[C@H]1CCN[C@H](C(F)F)C1 1918497188 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C=C(C)CCCC[C@@H](NCCC)c1ccn(C(C)C)n1 2287409801 ZHSSHICBDYFYQL-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2287464871 DSCKNTBTKARWAV-MLHJIOFPSA-N 295.536 4.880 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1c(F)cncc1F 2287467286 URLUONFUZHKPJH-HNNXBMFYSA-N 282.378 4.537 30 10 CJEE CC(C)CCC[C@H](C)CCNc1cccc(F)c1C#N 2287933387 RMLKAHRBOYRUDD-AWEZNQCLSA-N 276.399 4.962 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@H]1CCCC2(CC2)C1 2289855789 VTPBESUPIYLOLS-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE O=C(CC#CC1CCCC1)c1ccc2ccccc2c1 2289905188 QJELZDLSPNZQFM-UHFFFAOYSA-N 262.352 4.606 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)CC1CC(CC(C)(C)C)C1 2290030392 ISTNBTLGQLRGDD-QQFBHYJXSA-N 278.484 4.709 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C1(C)CC(C)C1 2291559453 QLTQZRYDINTLGQ-ISXOHVOVSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@H]1CCCC[C@H]1C 2291783922 DXBUYUOQGPCFOG-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CCC[C@@](C)(CCCCCC1CC1)OCCC(=O)O 2292141589 LESNNHYOZURWKT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CS[C@@H](C)C1 2292650982 VZMPMYHVUOURCQ-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE C=CCCCCCC1(OCCCN)CCCCCCC1 2292885894 RSLBKDGOTKJLQX-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H](C)C1)OCCCN 2293117307 KEJAYHRBGFIAPF-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCC(C)(C)C[C@@H]1C 2293351049 YLUUJOCZRVRNMV-KSSFIOAISA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CC=CCC1 2293412269 AIGIMAUXNQEKME-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C 2293503870 FTBVFKHLQCUVOM-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1(C)CC(C)(C)C1 2293717230 KZSAGXYQHDZHSE-MRXNPFEDSA-N 283.500 4.907 30 10 CJEE CC#CCCCC[C@](C)(CCCCCC)OCCCN 2293936338 PLROUBJVDFWBMQ-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCC[C@H](C(C)C)CC1 2294058793 HFIILTYNSICDSG-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H](F)C1)OCCN 2294252934 WUYKPCQHUUWLFS-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE C=C[C@@H](NCc1c(C)c(C)c(C)c(C)c1C)C1CCC1 2294675538 PPBMLAJELQDTTH-LJQANCHMSA-N 271.448 4.673 30 10 CJEE C=C[C@@H](CC)O[C@@](C)(CCCCCCCCC)C(=O)O 2295587804 CYVYNODRXHJNET-RDJZCZTQSA-N 284.440 4.952 30 10 CJEE CCCCCCCCC[C@H](C)NCC(OCC)OCC 2295669168 RBYOBNIALSDEDQ-INIZCTEOSA-N 287.488 4.504 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1)c1cc(Cl)ccc1O 2296797074 TTWITESQDJUURJ-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@@H]1CC[C@@H]2C[C@@H]2C1 2312621043 NGONZGJMBCGYHA-QBPKDAKJSA-N 251.458 4.891 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CCCCC1)NCC 2321114240 WBFZPZPZYCVELL-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCC(C)(F)F)NC 2321118865 VQYKMGCKCSDEMP-KBPBESRZSA-N 261.400 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCC1CC1)NCCC 2321147023 DHYWDJFUQPYHGM-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(F)c(C)c1Cl 2321230737 AXNVPSXJKUHRJA-CABCVRRESA-N 270.775 4.813 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(F)c1F 2321231724 HDLWFBMBSCGBJC-KBPBESRZSA-N 274.738 4.644 30 10 CJEE COc1cccc(SC[C@](C)(CS)C(C)(C)C)c1 2327294328 KTNNUCRQMMTDAB-HNNXBMFYSA-N 284.490 4.770 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329793478 XEIQQYWJOHGPPJ-SEBNEYGDSA-N 267.363 4.778 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(F)F 2333705969 BSRIICYPZJQEBF-RBSFLKMASA-N 273.411 4.782 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCCC2=O 2335174748 PMAPIOXKDMBHDM-UHFFFAOYSA-N 272.413 4.819 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)ccc21 2337068333 ZJSIURDERHSWDO-VUCTXSBTSA-N 275.823 4.662 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(Cl)ccc21 2337150226 BQPSDWONLYTWQM-MFKMUULPSA-N 292.835 4.896 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cc(C)c(OC)c(Cl)c1 2337634170 JWQLYHAZRVQVEG-NHYWBVRUSA-N 281.827 4.520 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CC12CCC(F)(F)CC2 2338659781 JZGKTMMSOQQVEH-ZDUSSCGKSA-N 268.347 4.540 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CCCC1(F)F)NCC 2338739296 UPCYENMJYAAWSH-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE CCCCCCCCCCOCC[C@H](N)CC(C)C 2339973700 UWBPULNTCMAEPJ-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(C)(F)C1)NCCC 2344336009 FPHHHPALRFBYNO-VUROTCPHSA-N 269.448 4.875 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc2occc2c1 2344339874 MRNNKGJQBQMKKU-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC2(CC(C)C2)C1)NC 2344348402 KKBBFTIPMWLNGM-PXUJOYAKSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)c(F)c1)NC 2344350144 ZEBCGMLXTAIERM-JKSUJKDBSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(CC2CC2)c1 2344383720 JILPLSDSQSFRRP-QZTJIDSGSA-N 257.421 4.631 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(CSC)cc1 2344384573 MFUJWIWPSSDHRV-IAGOWNOFSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1coc(C(F)(F)F)c1 2344397005 QCZNVOPVEUBWFS-OLZOCXBDSA-N 275.314 4.551 30 10 CJEE CCCCCCC[C@@](C)(SCC1CC(C)C1)C(=O)O 2352196958 DAFQPMUTUNRQHR-ZBCRRDGASA-N 286.481 4.970 30 10 CJEE CC(C)[C@@H](C#N)COc1ccc2ccccc2c1Cl 2353163485 AZUMTCPWZSUWJD-ZDUSSCGKSA-N 273.763 4.668 30 10 CJEE CSc1cc(N[C@H](C)CC2CCCC2)ccc1C#N 2353835127 QXFWWHBMWDJRGH-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@](C)(N[C@@H](C)C(CC)CC)C(=O)O 2353866968 GTPOHFLWOLBJIF-YOEHRIQHSA-N 285.472 4.605 30 10 CJEE CCCCCCCO[C@@H]1[C@H]2CCC[C@H]2C[C@H]1NCCC 2354732068 RQIMJLXWEOPMIK-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@H](CCCCC)c2ccccc2)C1 2358847171 JUISMBQAZDNKBH-QXAKKESOSA-N 269.432 4.700 30 10 CJEE Cc1sc(N/N=C\c2cccs2)nc1-c1ccccc1 13142174 AWDSAJYBMPMVJZ-YBEGLDIGSA-N 299.424 4.626 30 10 CJEE CCCN(C(C)C)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147107 UENLLCPQYIZXNB-ZACQAIPSSA-N 278.484 4.851 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCc2ccco2)C1 37156294 RXNOYKQLOISFSQ-UMVBOHGHSA-N 263.406 4.621 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 37271962 FCPCOOUJIHGODD-JCGIZDLHSA-N 284.447 4.814 30 10 CJEE N#CC1(Nc2ccccc2Cl)CCCCCCC1 37938275 JRKCZTBVEPEPBV-UHFFFAOYSA-N 262.784 4.759 30 10 CJEE CCCN[C@H](CC)c1cccc(-c2ccc(C#N)s2)c1 50266958 DSYGEAHDJVPINW-MRXNPFEDSA-N 284.428 4.737 30 10 CJEE Cc1ccc(C)c(/N=C2/NC3(CCC(C)CC3)CS2)c1 53099124 UPLGITCNSHGUFL-UHFFFAOYSA-N 288.460 4.576 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)c2ccc(C(C)C)cc2)c1 55332218 OECSJALFPWDDTE-GOSISDBHSA-N 277.367 4.609 30 10 CJEE N#C[C@H](CCCOc1ccc(Cl)cc1)c1ccccc1 57684415 XBLGEBFUTXNGDV-HNNXBMFYSA-N 285.774 4.806 30 10 CJEE CCCCCCCCNCCCOC1CCCCC1 59055688 QHWWQWOHZZCTEV-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CC(=O)c1cccc(/N=C/c2cccc(Cl)c2Cl)c1 59457092 USAIVFSBKDWITL-GIJQJNRQSA-N 292.165 4.947 30 10 CJEE Cc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccc(F)cc1 71465087 AVVITPFTKGRHSK-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE N#CCc1oc2c(ccc3ccccc32)c1C(F)(F)F 77072304 WSJUUPVNNCCFQY-UHFFFAOYSA-N 275.229 4.671 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 83204702 ABXQUDPUWQAWCS-LFYBBSHMSA-N 284.330 4.511 30 10 CJEE N#Cc1c(F)cccc1Oc1ccccc1C(F)(F)F 93406756 NJWRSNYKBSEKHY-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CC(C)(C)C1CCC(C#N)(Cc2cccc(O)c2)CC1 94691126 ONDISLULDPWDNR-UHFFFAOYSA-N 271.404 4.681 30 10 CJEE CCC(CC)N(C)CCCCCCCCCS 97799235 FYEUWVRECRWRPT-UHFFFAOYSA-N 259.503 4.767 30 10 CJEE CCCCCCCOc1ccc(NCC2CC2)cc1 100033559 RKBWTVDGKREHEV-UHFFFAOYSA-N 261.409 4.858 30 10 CJEE CCCCCCCOCCNc1ccc(Cl)cc1 104002733 QVMIYASJAUWLFL-UHFFFAOYSA-N 269.816 4.739 30 10 CJEE Cc1ccc(C)c(Oc2ccc(C#N)c(Cl)c2)c1C 104178922 NQQRVSDTDLIWBE-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCCn1c(CCS)nc2cc(C)ccc21 105502109 HVYJFAQPOHYMSM-UHFFFAOYSA-N 290.476 4.787 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(C)c(Br)c1 107497130 CZWRGNXUCFTSSV-WCQYABFASA-N 279.221 4.911 30 10 CJEE CCCCCCCO[C@H](CNCC)c1ccc(Cl)cc1 110067946 JGEHFYOSWDUCRA-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCCCCCCC[C@H](O)Cc1cc(C)cc(C)c1 110446431 YMRJZFDHZJISEY-SFHVURJKSA-N 262.437 4.957 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)(C)C)CCOC1 110521370 OCHAQEBUELROME-SFHVURJKSA-N 283.500 4.922 30 10 CJEE N#Cc1cc(F)ccc1Oc1cc(Cl)ccc1Cl 111036948 QKZAZYOIHKGHET-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(OC)cc1 112893752 XIQHJDFQXLKXTJ-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@@H]1C(C)(C)C 114058972 HFBMVSBBGOVBKJ-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](N)CSc1cccc(F)c1 117399009 BPCMRLBTRHAWES-CQSZACIVSA-N 269.429 4.606 30 10 CJEE CCCCCCCCSc1csc(C(=O)O)c1 118306005 AIMJSBBYULGFPC-UHFFFAOYSA-N 272.435 4.899 30 10 CJEE CCCCCCC[C@H](O)Cc1nc(C(C)(C)C)cs1 122315215 MCUVEUPJVUWHBV-ZDUSSCGKSA-N 283.481 4.705 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)cc1C#N 126235395 FVDUWZCTNJMRSD-ZDUSSCGKSA-N 262.372 4.858 30 10 CJEE CCCCCCCOc1c(Cl)cccc1CNCC 128920555 UFFCJWGSBAJBDB-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCC[C@H](N)c1cc2cccc(F)c2o1 130172847 PUJUJRCEHKDNCS-AWEZNQCLSA-N 263.356 4.932 30 10 CJEE COc1ccc(C#N)c(Oc2cc(C)ccc2C(C)C)c1 130502960 WBMWXSOTTQQMDH-UHFFFAOYSA-N 281.355 4.791 30 10 CJEE CCCCCCCCCC[C@@H](CCCCC)NN 131276444 PZKWNRCZRPVSQS-MRXNPFEDSA-N 256.478 4.929 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2cc(F)ccc21 157848144 UKZOMIAKZKALIS-QGZVFWFLSA-N 263.400 4.677 30 10 CJEE CCCCCCCCNc1cc(NCC)cc([N+](=O)[O-])c1 159048910 SCHVWEKBGUFVKC-UHFFFAOYSA-N 293.411 4.799 30 10 CJEE CCCCCCC[C@H](N)c1cccc2cnccc12 164314281 BCVSIVVKYOCQSO-KRWDZBQOSA-N 256.393 4.595 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1coc2ccccc12 164735171 FRNYNNROEQQMEV-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE N#Cc1cc(NCC2CCCCC2)ccc1C(F)(F)F 211146948 PHDQXBCIOMNNBC-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCCN(CCC)[C@H](C#N)c1ccc(Cl)cc1Cl 212986084 WSDVQGQYQNCDJR-CQSZACIVSA-N 285.218 4.680 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCC[C@H]1C(C)C 214681389 SVSQMEYCJOCOKV-DOTOQJQBSA-N 256.393 4.516 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@H]1Nc1ccccc1C#N 214793274 BOQUWECVZVJFLB-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE C#CCCCCOc1ccc(-c2ccccc2)cc1 220914666 AJUKEJNKVIBOQS-UHFFFAOYSA-N 250.341 4.536 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(Br)cc1C#N 229174124 YQPUOQKCRYHAHU-GHMZBOCLSA-N 295.224 4.557 30 10 CJEE C#CCCC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 229287073 MIEKUEPUIMXKBK-RWSSSABPSA-N 287.491 4.765 30 10 CJEE C[C@H](N)c1cccc(SCCCCC(C)(C)C#N)c1 235514187 CACAXTYVGQOVCD-ZDUSSCGKSA-N 276.449 4.518 30 10 CJEE Cc1cccc(C(C)C)c1NC(=O)Nc1ccc(C#N)cc1 240765760 AUEWCEYZPRDMBX-UHFFFAOYSA-N 293.370 4.634 30 10 CJEE CCCCCCCN1CCCC[C@@H]1[C@H]1CCCCC1=O 250805666 FRFTZCIHILLKBZ-IAGOWNOFSA-N 279.468 4.571 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 250916962 JBMKLPPNBFKKIR-IXDOHACOSA-N 268.404 4.638 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC 251224094 NWWRYWVORQAKSR-ARFHVFGLSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253044351 OBPIWDCRZWQUDH-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE N#CC[C@H](c1cc(Cl)c(F)c(Cl)c1)C1CC1 260880174 SKLCRTPIRKTCAX-VIFPVBQESA-N 258.123 4.540 30 10 CJEE CC[C@@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 307202441 DWZAYVSGLDQDJD-NXXVSJRMSA-N 264.218 4.535 30 10 CJEE Cc1cc(C)c([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c(C)c1 307520881 RUXRPKLPLYMYHP-LSDHHAIUSA-N 286.224 4.562 30 10 CJEE CCCCCCCc1nc2c(Br)cccc2[nH]1 310205100 BOFSQYNOLSFIAX-UHFFFAOYSA-N 295.224 4.838 30 10 CJEE CC[C@@H]1CCC[C@@H](n2ccc3c(C#N)cccc32)C1 311268255 SLLOUILJALODPD-UKRRQHHQSA-N 252.361 4.654 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 311359927 BAIJCFGCXLJSNU-ZDUSSCGKSA-N 298.257 4.564 30 10 CJEE CC(C)Cc1ccc([C@@]2(C)CCC[C@H](CC#N)O2)cc1 312996128 YFGXUZSJERBMNT-QZTJIDSGSA-N 271.404 4.583 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCC[C@@H](C)C1 318611850 BYTISTWAFMRVCY-IEBWSBKVSA-N 277.496 4.868 30 10 CJEE CC(C)(CC1CCCCCC1)/N=C(/O)[C@@H]1CCCC(O)=N1 329957916 MGUNNMJCYCGYIF-AWEZNQCLSA-N 294.439 4.591 30 10 CJEE C=CCCCN[C@H](C)c1cc(Cl)sc1Cl 379771749 APMPOFYDTRXLFX-MRVPVSSYSA-N 264.221 4.672 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CCCc2ccccc21 384868199 OHLBNHDKDKSGJQ-HFTRVMKXSA-N 253.389 4.827 30 10 CJEE CCCCCCCCCC[C@](C)(O)[C@H]1C[C@H]2CC[C@H]1O2 386574856 RTEPIQYFJREPBT-XDNAFOTISA-N 282.468 4.836 30 10 CJEE CC[C@@H](CNc1cc(C#N)ccc1Cl)CC(F)(F)F 402581682 WQLTXLCWTDHRLD-SECBINFHSA-N 290.716 4.602 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H](C)CC(F)(F)F 402978229 FVIJOCXNTNQEDV-VXGBXAGGSA-N 265.363 4.545 30 10 CJEE N#CCC1(CNc2cc(Cl)c(Cl)c(Cl)c2)CC1 404256268 RIWYXFWZUYIMBF-UHFFFAOYSA-N 289.593 4.753 30 10 CJEE C=C[C@@H](CC(=O)N1CCCC[C@@H]1C1CCC1)c1ccccc1 648702662 ZMNVOSWNEMXUPQ-QFBILLFUSA-N 297.442 4.528 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CC[C@H](CC)C1 686681465 QOYFFKIQVXUHFO-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCC(C)C 686696178 WJUKYRKYMBDUMN-OTWHNJEPSA-N 277.496 4.868 30 10 CJEE C#CCCCCCC(=O)c1cc(C)ccc1Br 686697168 IHBOZDPTGLCORP-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CCCCCCCCCCCCN(C[C@H](C)O)C(C)C 691373831 GFISPZOGVJGCDE-SFHVURJKSA-N 285.516 4.999 30 10 CJEE CC(C)(CC(F)F)C[C@@]1(C#N)CCCc2ccccc21 694104033 ROIDSNXGSSZYQQ-QGZVFWFLSA-N 277.358 4.856 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CCC[C@@H]2C[C@H]21 694461886 QCMGPKVEQQFSLI-IXDOHACOSA-N 297.552 4.871 30 10 CJEE CN(C[C@H]1CCCC2(CC2)C1)c1ccc(C#N)cc1Cl 696196883 VYEPQALDGIGWSS-AWEZNQCLSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(C)CCCC[C@@H]1N 696618676 XCPYUCDPEYYVEI-OKZBNKHCSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1N 698762232 DPPHEYIWBBGZAY-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CCCCCCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 703779773 IZQOXTYMHDCBNS-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC[C@H](N(C)c2ccc(Cl)cc2C#N)CC1 704532553 YLXQMRRHQBKNCF-DOMZBBRYSA-N 276.811 4.617 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCS[C@H]1C 707486985 COEJMBZKTRPOSL-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE C=C(Cl)CC1(CNCC)CC(C)(C)CC(C)(C)C1 710682158 PSJSPEFLFFDRHZ-UHFFFAOYSA-N 271.876 4.961 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2ccc(C)cc2Cl)C1 710740993 PDPBIAZVTVSFEE-COXVUDFISA-N 293.838 4.556 30 10 CJEE Cc1ccccc1N=C1NC2(CCCCCCC2)CS1 713179353 CYXSPENIFGQPOR-UHFFFAOYSA-N 288.460 4.802 30 10 CJEE CCC(C)(C)CC/N=C1/NC2(CCCCCCC2)CS1 713286809 UGPSXLDUHBNHCA-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CCCCCCCCCC1(O)CCC(C)(N(C)C)CC1 715197874 ADOHPODXAUAOFM-UHFFFAOYSA-N 283.500 4.753 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1scc(C)c1Cl 715720223 NJHNNTSEHSGAAN-ZWNOBZJWSA-N 271.857 4.963 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1c(F)cccc1Cl 715771083 RUCPXWXNKBGITO-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Cl)cc1Cl 717915334 FEGGBJIYQCDNDZ-UHFFFAOYSA-N 272.219 4.828 30 10 CJEE C#CCCCCC[C@](C)(O)c1ccc(C(F)(F)F)s1 717963137 RZKOVAVKVXGTTR-ZDUSSCGKSA-N 290.350 4.558 30 10 CJEE CCCCCCCNCc1ccc(CSC)cc1 724723614 LJQUFCSJVPJYGV-UHFFFAOYSA-N 265.466 4.610 30 10 CJEE N#Cc1cc2ccsc2c(S)c1SC(F)(F)F 725291887 GBCKWCLFDRCTRZ-UHFFFAOYSA-N 291.344 4.674 30 10 CJEE CCc1ccc2c(CC#N)csc2c1C(F)(F)F 725302284 CMTSUKTZQUTVLI-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE Cc1cc2cc(CC#N)cc(SC(F)(F)F)c2s1 725314893 ZIBUFLWAOLIHME-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE Cc1cc(F)ccc1C#Cc1ccc(C(C)(C)C)cc1 725410173 ZWQBJWSNTUXYBC-UHFFFAOYSA-N 266.359 4.831 30 10 CJEE Cc1ccc(NN=Cc2ccc3ccccc3n2)cc1Cl 1083969236 IHRSLNCQHHIXSE-UHFFFAOYSA-N 295.773 4.643 30 10 CJEE Cc1ccccc1NN=Cc1ccc(Cl)cc1Cl 1084350353 QEFPYBVTKKECHL-UHFFFAOYSA-N 279.170 4.748 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC(C)C)c1ccccc1Cl 1129810553 VEAFVDRWJXVDED-CQSZACIVSA-N 293.838 4.931 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCC2(CCCC2)O1 1182644128 GQUYKNPHECNUTN-DLBZAZTESA-N 279.468 4.593 30 10 CJEE C#C[C@H](CCC)NC(=O)Nc1cccc(C2CCCCC2)c1 1219599232 QIYSRGMGQWAGPE-QGZVFWFLSA-N 298.430 4.658 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccccc1 1266420582 FEHZSVLWIKKPIP-JQHSSLGASA-N 285.431 4.636 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)C2CCCCC2)CCCCC1 1270324883 PCLQTFOZKGDBQN-INIZCTEOSA-N 291.479 4.940 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)CC1CCCCC1 1278999777 WUDFZNKORYOCJV-JQHSSLGASA-N 291.479 4.844 30 10 CJEE N#CC1(CSc2nc3cc(F)ccc3s2)CCCC1 1307394598 DHDKPDFFDSRWNC-UHFFFAOYSA-N 292.404 4.611 30 10 CJEE C#C[C@H]1CC[C@H](NC/C(C)=C/c2ccc(Cl)cc2)CC1 1308509764 HBRWJRKNERICRL-RJHCJRLMSA-N 287.834 4.525 30 10 CJEE C=CCC[C@H](CC)N[C@@H](C)c1ccc(F)cc1Cl 1308781992 KCQARODILNJEJX-AAEUAGOBSA-N 269.791 4.875 30 10 CJEE C=CCN(C(=O)c1ccc(CC(C)C)cc1)c1ccccc1 1352311161 GCJDSBZSOJUHBL-UHFFFAOYSA-N 293.410 4.718 30 10 CJEE C=C(CC)C(=O)NC(C1CCCCC1)C1CCCCC1 1455177766 MYKNDDDZMMLTSV-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C#CC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)c1ccccc1 1458089494 RLULYRHVBPWPOZ-PKOBYXMFSA-N 297.442 4.640 30 10 CJEE CCCCCCCCN(C)[C@H](C)c1cccc(O)c1 1459714937 CTFODIAIOLHYPT-OAHLLOKOSA-N 263.425 4.746 30 10 CJEE C=C(CC)CN[C@H](Cc1ccccc1)c1sccc1C 1459925569 MUVNIDQTIIXMDZ-QGZVFWFLSA-N 285.456 4.896 30 10 CJEE C#C[C@H](NC1CCCCCCC1)c1ccc(Cl)cc1 1462302779 BWSCKOUTUXUEFK-KRWDZBQOSA-N 275.823 4.717 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc(C2CCC2)c1 1466715731 LGNBJVKMXNMSCI-UHFFFAOYSA-N 286.419 4.820 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)C(C)C 1473479348 QYJBYSVCXBPQDD-INIZCTEOSA-N 265.828 4.983 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)OC[C@H]1C 1473605877 OSKNMSVBVVESFS-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE C=CCCCCCCN[C@H](C)C1CCC(F)(F)CC1 1474512535 MLWDRNKZXPXNMP-CQSZACIVSA-N 273.411 4.927 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](CCC)C(C)C 1523897233 XWIDCZUSHHVKRJ-MRXNPFEDSA-N 273.420 4.816 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1524538053 RORFPLYTBMNHMB-YESZJQIVSA-N 279.468 4.702 30 10 CJEE C=C(C)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 1524739508 WQUGTDHYPRPPSO-JTQLQIEISA-N 286.202 4.527 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 1528310101 RGTLYHOJKURSNX-LPHOPBHVSA-N 299.458 4.665 30 10 CJEE C=CCN(C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C)C(C)(C)C 1532929686 OSQHLIXIBXXOGP-ULILPIJMSA-N 291.479 4.818 30 10 CJEE C=CC[C@H]1CCN1[C@H](C)c1ccc(Cl)c(Cl)c1 1560206275 UNVLPTBXDYVQDU-PWSUYJOCSA-N 270.203 4.705 30 10 CJEE C=CCCCCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 1617611391 RJOUSYVFLYUWAE-SJLPKXTDSA-N 257.421 4.529 30 10 CJEE C=C(C)[C@H](CC(=O)Nc1cccc([C@H](C)CC)c1)OCC 1618230808 UKSWMFNCDIRDKU-PBHICJAKSA-N 289.419 4.510 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2CCc3ccccc3CC2)C1 1621017257 MMAGDACRTMEHNZ-UZLBHIALSA-N 283.459 4.516 30 10 CJEE C=CCCCCN(C1CC1)[C@@H]1CCCc2ccccc21 1642056585 OVCZRCRGDPZKDB-LJQANCHMSA-N 269.432 4.885 30 10 CJEE C=CCCCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 1642808658 STWYVADUWXYSKO-MOPGFXCFSA-N 271.448 4.734 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](NCc2cc(C#N)cs2)CC1 1650957266 FSUKGPUGIIOHOI-GJZGRUSLSA-N 290.476 4.704 30 10 CJEE C=CCCCCCN1CCSC[C@H]1c1ccccc1 1652516525 XRPKWIKMZLKLML-KRWDZBQOSA-N 275.461 4.523 30 10 CJEE C=CC[C@@H]1N(CCCc2cccc(C)c2)CCCC1(C)C 1653457144 OKQUOUDMGLUFTN-IBGZPJMESA-N 285.475 4.994 30 10 CJEE C=CC[C@H]1N(Cc2cccc(OC)c2C)CCCC1(C)C 1654317761 ITSJXBOGWGKEEE-GOSISDBHSA-N 287.447 4.570 30 10 CJEE C=CCCc1ccccc1NCc1sccc1C 1656139047 HTTLSJKRMMBGMQ-UHFFFAOYSA-N 257.402 4.787 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc([C@H]2CCOC2)cc1 1659312372 GXNSILNETGZOGG-DLBZAZTESA-N 273.420 4.737 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](C)c1ccccc1O 1660505524 RADNAVIIHNKZSG-HUUCEWRRSA-N 261.409 4.568 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCC(C)(C)O1 1665842399 SFHJGHOEAIIEJZ-CVEARBPZSA-N 269.473 4.673 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N[C@H](CCC)c1ccccc1 1682632951 VMRIWOOBOAZZET-NVXWUHKLSA-N 288.435 4.572 30 10 CJEE CCCCCCCCCCN1C[C@@H]2[C@H](C(F)F)[C@@H]2C1 1883818973 MXCSKUSUKOAOIV-QDMKHBRRSA-N 273.411 4.570 30 10 CJEE C=C1CCC(CN(C)[C@@H](C)C2CC3(CCC3)C2)CC1 1884400714 WRQSHYHNFNBSRK-HNNXBMFYSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C 1885226264 BTLWSSCDICKZHF-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CC#CCCCCN(C)[C@@H](C)C1CCC(C)(C)CC1 1885368805 BTPSPLYBEIYFSD-INIZCTEOSA-N 263.469 4.717 30 10 CJEE C=C1CCC(C[C@H]2CCCC(C)(C)[C@@H]2NCC)CC1 1888257437 RGSMWMFHUMPFES-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H](CC1CC1)C1CC1 1892556969 KEWZCDHZSSIBSK-LJQANCHMSA-N 269.432 4.643 30 10 CJEE CC[C@@](C)(C#N)Cc1sc(Cl)cc1Br 1892988933 CTKOTDNDPBIREX-SNVBAGLBSA-N 292.629 4.646 30 10 CJEE CCCCCCC[C@H](C)NCc1cccc(C)c1F 1900652673 KWMUYQKHSGJNKU-HNNXBMFYSA-N 265.416 4.973 30 10 CJEE CC1(C)CCC[C@](C=O)([C@@H]2C[C@]2(C)C(F)(F)F)CC1 1909515481 LQROPLTYORAMOB-XBFCOCLRSA-N 276.342 4.751 30 10 CJEE C[C@@H](N=C1N[C@@H](C(C)(C)C)CS1)c1ccc(Cl)cc1 1911866046 YEDGFTBVBPUZRK-ZWNOBZJWSA-N 296.867 4.508 30 10 CJEE CCCCCCCCCCO[C@@H](C)C(C)(C)CN 1913805038 AYRHPAJPFFDBIQ-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1917562231 VRVXPKAGBYZGRR-LMMHAMTPSA-N 263.469 4.747 30 10 CJEE CCCCCCCC[S@](=N)(=O)Cc1ccccc1 1917859752 DCPXYQWDFNCBLM-SFHVURJKSA-N 267.438 4.594 30 10 CJEE CCC[C@@H](C#N)[C@@H](O)c1ccc(-c2ccccc2F)s1 1921074556 RIMJUBBTKYOZKU-MEDUHNTESA-N 289.375 4.527 30 10 CJEE CCCCCCCCC[C@@]1(F)CNCC(C)(C)C1 1922814973 HJDIKNYRIXSWCA-INIZCTEOSA-N 257.437 4.855 30 10 CJEE C=C([C@H](O)c1cc2ccc(F)cc2s1)[Si](C)(C)C 1922978139 LJSHREYSFWQAAK-AWEZNQCLSA-N 280.440 4.507 30 10 CJEE N#Cc1cccc(N(Cc2ccccc2)C2CCCC2)c1 1932027438 NEXIWWVXLHFHJS-UHFFFAOYSA-N 276.383 4.507 30 10 CJEE C=C([C@H](NC)c1cc(Cl)ccc1C)C(C)(C)C 1947434421 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C=CCCCCCC[C@H](N)CSC1CCCC1 2026022337 TVEJDJPKLIFHFH-AWEZNQCLSA-N 255.471 4.516 30 10 CJEE C#CCCN(Cc1ccsc1Cl)C1CCCCC1 2028935609 KWVBURUNPYVFPM-UHFFFAOYSA-N 281.852 4.560 30 10 CJEE C=CCC(C)(C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2041739192 QERJKWFGMZMCQL-UHFFFAOYSA-N 289.162 4.668 30 10 CJEE Cc1cccc(C(=O)C2=CCC(F)(F)CC2)c1Cl 2045231789 ALJQXBRFDXVGKP-UHFFFAOYSA-N 270.706 4.577 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCCC1(F)F 2047872705 CQBMTVREZRPOCX-UONOGXRCSA-N 262.384 4.923 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1F 2048237946 JNGGWOKKQNKRTH-SECBINFHSA-N 261.262 4.611 30 10 CJEE CCCCCCCCNC[C@]1(C)CCCC1(F)F 2049015460 LFEQVINUOODCQL-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE C=CC1(C[C@H](O)[C@@H]2CCC[C@H](CC)CC2)CCC1 2049032225 HGHNRXFOZDXPDH-XHSDSOJGSA-N 250.426 4.700 30 10 CJEE CCC1(C)CCC(N(C)CCCCCCS)CC1 2051646819 VUVKIRRGCBTRGJ-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE CCCCCCCN(C)[C@H]1CCCCC(F)(F)C1 2052294581 KGXUVXAMDYSKME-AWEZNQCLSA-N 261.400 4.857 30 10 CJEE 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267.413 4.555 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1C(F)(F)F 2329283943 SVIBCPYRUVKUKH-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CCCCON=C(CC)c1ccc(C(C)(C)C)cc1 2330263315 FAQHOFJWJVTXFW-UHFFFAOYSA-N 261.409 4.915 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1CCCCC(F)(F)C1 2338731195 YBKOCWDRHVZLCY-CABCVRRESA-N 271.395 4.558 30 10 CJEE C#CCCCCCCNC1CC[Si]2(CCCC2)CC1 2338795579 MWDWMPCPJFJIPZ-UHFFFAOYSA-N 277.528 4.565 30 10 CJEE C=CC1(C[C@@H](NN)c2ccc(Cl)c(Cl)c2C)CCC1 2339137977 BGJDNAXFXRDZBS-CYBMUJFWSA-N 299.245 4.553 30 10 CJEE C=CCCC[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC 2339273449 SHTIUSCJYZUCCL-BRSBDYLESA-N 261.453 4.703 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc2sccc2s1 2339571476 GHVBNPIITGYDKW-RYUDHWBXSA-N 289.469 4.663 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCC[C@H]1C(C)(C)C 2339904673 ISHSVYPHYAVKHY-NVXWUHKLSA-N 255.405 4.685 30 10 CJEE CCCCCCCN(C)C(=O)c1ccc(F)c(Cl)c1 2340749082 NMCUWVSHLNRFFS-UHFFFAOYSA-N 285.790 4.522 30 10 CJEE C#CCCCCC[C@H](CCC[C@H]1C[C@H]1C)NCCC 2341493777 DNKIPXJRWASYQI-FGTMMUONSA-N 263.469 4.765 30 10 CJEE C=CCC(C)(C)[C@@H](CCc1ccc(Cl)cc1)NCC 2344341010 XYZSELNZDDCPJF-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE Cc1cc(CN(C)C[C@](C)(CS)C(C)(C)C)sc1C 2352080402 BBHOXVUIOJVVTK-MRXNPFEDSA-N 299.549 4.779 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353049403 BIFUAXRCKZMXRB-XHDPSFHLSA-N 296.241 4.754 30 10 CJEE CSc1cc(N[C@H](C2CC2)C(C)(C)C)ccc1C#N 2353824093 JNJCBTRDDGLZNN-OAHLLOKOSA-N 274.433 4.517 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@]12COC[C@@H]1C2 2354593574 ZYTMWPIVPCTLRK-KSZLIROESA-N 281.484 4.532 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2CC[C@H]2C(F)(F)F)CC1 2358403047 FZPSRYNGZRSOOU-RBSFLKMASA-N 289.385 4.690 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCc2ccccc21 2359358597 LYJIALFRJTZKMO-XZKMEQPCSA-N 265.400 4.611 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2360341862 AAKGGCRYLFPRQB-OWCLPIDISA-N 276.420 4.657 30 10 CJEE CC(C)c1ccc(/N=C2\NC[C@H](c3ccccc3)S2)cc1 35082565 VNLSLWJMZWPJFG-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc(F)ccc1F 36954426 KNJYIJXGHNMJAJ-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=CCSc1ccccc1NCc1ccc(OCC)cc1 37496229 AWBCABNSRGSZJS-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2ccccc2)c1C 57684471 NVSCSQLAKOFYOQ-SFHVURJKSA-N 279.383 4.770 30 10 CJEE C[C@@](C#N)(CCCOc1cccc(Cl)c1)c1ccccc1 57687523 JXFXIWQSGYPOBG-SFHVURJKSA-N 299.801 4.980 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3cc(F)ccc32)c1 71465437 BUKMLGPCGBZPGU-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE COc1ccc(C2(C#N)CC3(CCCCCC3)C2)cc1 86543292 QYBLFNHLLCBEGP-UHFFFAOYSA-N 269.388 4.591 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86954385 DDWONPAYFXYEBP-JKSUJKDBSA-N 270.420 4.965 30 10 CJEE SCC1(CSc2ccc(Cl)c(Cl)c2)CC1 87098365 QNVJPKCQUNCMBY-UHFFFAOYSA-N 279.257 4.796 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2cc(Cl)ccc2Cl)C1 87973494 BNEMTYPWZYKCFP-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1c(F)cccc1Cl 88154670 RHSFJIRFEYHCJS-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CC(C)C1CC(C#N)(Sc2ccccc2Cl)C1 90234076 KELVJHUTIFDOTJ-UHFFFAOYSA-N 265.809 4.760 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(C)s2)CC1 91882221 BDTKXDTXDRHXAX-SIWZUTFBSA-N 277.433 4.590 30 10 CJEE C=CCC(CC=C)C(=O)N(C)c1c(Cl)cccc1Cl 93263821 WQYRCLKXIGWKQN-UHFFFAOYSA-N 298.213 4.725 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)CC1(CS)CCCC1 94579687 IBZNTYIDCKFJHX-CYBMUJFWSA-N 297.895 4.823 30 10 CJEE COc1ccc(SC[C@H](CS)c2ccccc2)cc1 94588843 UKTWVIQWSJPMDF-AWEZNQCLSA-N 290.453 4.501 30 10 CJEE CC(C)(C)c1csc(CC2(C#N)CCCCCC2)n1 94981743 UZIHABXRGZNMCG-UHFFFAOYSA-N 276.449 4.847 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1c(C)cc(OCC)cc1C 107646244 DWIPHILUIYGLJO-CZUORRHYSA-N 258.405 4.855 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C1CCC(CC)CC1 110020641 JEXKFLRKMGZRKK-CTWPCTMYSA-N 296.543 4.965 30 10 CJEE CCCCCCCO[C@@]1(CNC(C)C)CCC[C@H](C)C1 110067915 DMEGAFSDHAXZSS-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCOCc1cc(C)c(CNCCC)o1 110170272 BCIIQSRLTICOSW-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE Cc1ccc(Nc2ccc(Cl)cc2C#N)c(Cl)c1 110253667 PWIIETRGHOMUPC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCC1CCC(N(C)c2cccc(Cl)c2C#N)CC1 110255368 PMRMJUWKSJNADI-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(OC)c(OC)c1 112884930 DXCRIAMAIQXULR-INIZCTEOSA-N 294.435 4.878 30 10 CJEE CCCCCCCCCn1ccc(CNC(C)(C)C)n1 112934713 BSRTXCNOSWLMCB-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCCCCCCCCCNC1C[C@@H]2CCC[C@H](C1)N2C 115890131 NIAURYHCOQFKKV-YQQQUEKLSA-N 294.527 4.732 30 10 CJEE CCCCCCCCOc1cccc2c1CCC[C@@H]2O 116380900 NTNTYUSQQJGPBD-KRWDZBQOSA-N 276.420 4.796 30 10 CJEE CCCCCCC[C@H](CO)c1ccccc1Br 118663952 KLARMCGHIDVKQS-CYBMUJFWSA-N 299.252 4.886 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cnn(CCC)c1 125563700 SSLCOSFJMVKYKV-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccncc1OC 134643220 IRFRFTKZDSLDJT-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc(F)c(F)c1 147342928 XNRWHVKYUBNGKV-CQSZACIVSA-N 269.379 4.585 30 10 CJEE CCCCCCCCC(=O)CC1CCSCC1 157651462 GDEYEWIFFKYLKR-UHFFFAOYSA-N 256.455 4.839 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCCCS1 158009628 YTGYIIKHQFSRLL-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE N#CC1(c2cccc(Cl)c2Cl)CCCCC1 169836356 MUKSPWLQPCKGAU-UHFFFAOYSA-N 254.160 4.719 30 10 CJEE CCCCCCCOc1ccccc1-c1nccn1CC 169969899 AYWHCHNJAJIHIP-UHFFFAOYSA-N 286.419 4.919 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCCOC1 203405942 ITLXHEJHNRXJBA-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE N#CC1(c2cccc(Cl)c2F)CCCCCC1 213691484 RSYPPDIAEOWLTD-UHFFFAOYSA-N 251.732 4.595 30 10 CJEE C=CCC[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 219514272 VVXDMPFYLRVQKS-IXDOHACOSA-N 251.458 4.783 30 10 CJEE C=CC[C@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)(C)C 219656977 RGXAPTLLDUAJAT-OWCLPIDISA-N 251.458 4.639 30 10 CJEE Cc1cccc(C#N)c1Nc1cccc(Cl)c1Cl 220999254 RZFLKIVXVPVMIZ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1cccc(C#N)c1Oc1ccccc1C(C)C 221138656 JYANYMAMTAITGS-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCC[C@H](CCC)Nc1cc(Cl)ccc1C#N 226031422 HBVIVVXGQQCSNA-AWEZNQCLSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCN[C@H]1C 226688533 MUCQGUOWBFMKBU-IRXDYDNUSA-N 281.484 4.865 30 10 CJEE CCCCCCCC[C@@H](CCOCC(F)F)NCCC 232092560 MFWWYQFPQYIUAE-HNNXBMFYSA-N 293.442 4.777 30 10 CJEE CC(C)(C)c1cccc(Oc2nccc(C#N)c2Cl)c1 232520890 FWQSXOLENUCFMQ-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE C=CCCCCC[C@H](NCCC)c1sccc1OC 233124956 FNHPOMVROARABW-AWEZNQCLSA-N 281.465 4.934 30 10 CJEE CCC[C@H](C)[C@@H](C#N)Sc1ccc(Cl)cc1 233353132 XOQBRLUTNQBBFI-GXFFZTMASA-N 253.798 4.760 30 10 CJEE C=CCCCCC[C@H](N)[C@@H](C)Oc1cccc(Cl)c1 235246180 PEDFJUIYNHFOIC-CJNGLKHVSA-N 281.827 4.571 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1 235289040 IQHOLGMJIIGRPN-AWEZNQCLSA-N 270.416 4.842 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(CCC(C)=NO)cc2)C1 252464109 FCPMRCBATWVWHD-MAUKXSAKSA-N 289.419 4.817 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@H]1c1ccccc1 253055912 YVQONSUOEVZECQ-BZSNNMDCSA-N 259.437 4.868 30 10 CJEE Clc1ccc(N=Cc2cc(Cl)nc(Cl)c2)cc1 255004207 TZWXHSROSPFTIX-UHFFFAOYSA-N 285.561 4.792 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300607384 LOGCMPNSFAFNKH-UXJCHEOYSA-N 263.469 4.617 30 10 CJEE CCCCCCCCCC[C@@H](O)c1coc(C)n1 302614170 YSDBDOMJZMKXNM-OAHLLOKOSA-N 253.386 4.547 30 10 CJEE C=CCCCCCCNc1cc(C)c(Br)cn1 310438600 VJEPIAGMWWZAEW-UHFFFAOYSA-N 297.240 4.701 30 10 CJEE N#C[C@]1(C[C@@H]2CCCCC2(F)F)C[C@H]2CC[C@H]1C2 382109017 KQUTYYPRXKVWIS-XDQVBPFNSA-N 253.336 4.532 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1c(F)cccc1Cl 387520189 KDUGPGCSFGHFOK-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(F)cc1Cl 388817642 SDYZRZINTMMGGL-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE C=CC(C)(C)CNCc1cccc(OCc2ccccc2)c1 394485936 UPABJCVJZVILHJ-UHFFFAOYSA-N 295.426 4.567 30 10 CJEE CCC1CCC(C#N)([C@@H](O)C2(C)CCCCCC2)CC1 394669383 LJRKPQSZEOUNPR-PQUAAJSLSA-N 277.452 4.818 30 10 CJEE N#C[C@H](CSc1ccc(F)c(F)c1)C1CCCCC1 397128516 OSUYWFDIMSGYHX-GFCCVEGCSA-N 281.371 4.777 30 10 CJEE CC[C@@](O)([C@@H]1CC1(C)C)C1(C#N)CCC(C(C)C)CC1 397739083 YMRCHASWFQUFRT-XPJGSDBHSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@]1(C)C[C@@H]1F 399338211 GGBYCPRJMAELEZ-ULQDDVLXSA-N 286.479 4.877 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CCCC1CC1 400784940 YGDUDBBYNUVHFX-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@H]1CCOC1 401356136 GRTYRKKVDRIGMJ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCc2n[nH]cc21 401562292 YAYHPYHZZWAHNO-MRXNPFEDSA-N 277.456 4.517 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H](CC)CC(F)(F)F 402547260 DVJKUKKSCAYIHG-KBPBESRZSA-N 279.390 4.793 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)s1 466438751 PHNKUFKQMJHLCQ-QWRGUYRKSA-N 285.840 4.571 30 10 CJEE C=C[C@@H](CC(=O)N1CCC(C(C)(C)C)CC1)c1ccccc1 530467584 ISMIKUICIDZGQQ-INIZCTEOSA-N 299.458 4.631 30 10 CJEE C#CCCCCC[C@H](CSC1CCCC1)NCCC 686681302 NZVHYCOPVUFFNL-MRXNPFEDSA-N 281.509 4.614 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC[C@H]1C 686700101 XTYYGEDIAOBCMW-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H]1CCCC2(CC2)C1 686704432 UYGOBNYESZBEFB-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC[C@@H]1CC[C@H](/N=C2/NC3(CCCCC3)CCS2)[C@@H]1C 687318652 SRXRKCHPOWQUDW-KFWWJZLASA-N 294.508 4.597 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCOC1(C)C 693066849 UHZXMPQHBOBBRT-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CCCOC2CCCCC2)C1 699955719 ZMYXAGPOJBXKRR-WBVHZDCISA-N 266.425 4.511 30 10 CJEE Cc1ccc(COc2cccc(C(C)C)c2)cc1C#N 701875207 WIUBJENEVLBLMT-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@@H](CS)C1CC1 702032089 JMWHKRDBYODPPI-JSGCOSHPSA-N 264.434 4.535 30 10 CJEE N#Cc1ccc(NCCc2cccc(Cl)c2)cc1Cl 702855937 CIHLYZAAEVOYQN-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE C=CCCCNc1cc(Cl)c(Br)cc1F 703801607 ZPULHYALJPLAGD-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ncccc2Cl)C1 703853653 HOZNTDLMWCJDBX-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cc2ccccc2s1)C(C)(C)C 705329727 CFRPUHFWJRJPQS-BLLLJJGKSA-N 271.429 4.600 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC(c2ccccc2)C1 709321899 AHBFFUNQVHOPCR-LWSMDNFKSA-N 269.432 4.657 30 10 CJEE CCCCCCCC1(CNCC(C)C)CC=CC1 709785469 DUGLRPLOUVXOLS-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCC1CCC(C#N)(C2(O)CCC3(CC3)CC2)CC1 710200077 MPYVQQOWJKAXON-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc(F)ccc1C(F)(F)F 710482662 BAQJEZWVYGJTDV-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CCCC[C@@H](C)/N=C1/NC2(CCCCCCC2)CS1 713287134 WQGRCHCUFVFASR-CQSZACIVSA-N 282.497 4.741 30 10 CJEE C=CC[C@H](C)C(=O)C(c1ccccc1)c1ccccc1 715735306 CAPGSUFBVNTPBF-HNNXBMFYSA-N 264.368 4.600 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1(OCC)CCCCCC1 715755807 ZXZBBTVIRSGSLT-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1CCC(SC)CC1 720410940 QXQXDOFEAZNXOE-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC[C@@H]2CCCC[C@@H]2C1 723610371 RFBRRAZATOGGQD-LZLYRXPVSA-N 268.404 4.660 30 10 CJEE C=C1CCC(CNc2c(C)cccc2Br)CC1 724546295 XXTOAVADXKQELA-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)NC)CC1 724581879 HSWNAISOXCDQSD-WNRNVDISSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H]2CCCC[C@@H]2CNC(C)C)CC1 724616259 JULQPRKRRHIIPM-ZWKOTPCHSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](c1ccccc1)C1CC1 821996746 LLIKGHHIADVYJM-AYOQOUSVSA-N 269.432 4.862 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccccc1Cl)C(C)C 1126183224 NLXDXSMJQKFHOP-INIZCTEOSA-N 279.811 4.510 30 10 CJEE C=C[C@@H](C)NC(=O)C1(c2ccc(C(C)C)cc2)CCCCC1 1127095211 TVAVNAPRSJBIKI-MRXNPFEDSA-N 299.458 4.703 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cc(C)cs1)c1ccccc1 1133171195 DJLZJEILVKLDCB-MRXNPFEDSA-N 299.439 4.884 30 10 CJEE C=CC[C@H](C(=O)N1CCC(CC(C)C)CC1)c1ccccc1 1149362699 BNJWMYVHZSSZOQ-IBGZPJMESA-N 299.458 4.631 30 10 CJEE C=CCN(Cc1ccc(Cl)c2cccnc12)C(C)(C)C 1174641465 IOGOMWUIASAFBE-UHFFFAOYSA-N 288.822 4.675 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1CCCC(C)(C)C1 1182387736 LQDNQSVRSKPRDF-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCCCN1CC[C@H](c2ccccc2)c2ccccc21 1196831505 LXUHXDIYHGFDAD-GOSISDBHSA-N 277.411 4.995 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)C1CCC1 1205849524 RDQNGJPXZPBAEV-HNNXBMFYSA-N 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CJEE CCCCCCCC[C@@H](Cc1ccc(C)cc1)NC 109739771 MLCCXLPLWMGDMG-SFHVURJKSA-N 261.453 4.876 30 10 CJEE Cc1ccc(C#N)c(Nc2c(Cl)ccc(C)c2Cl)n1 110251274 BHOFYOHAIYYHEV-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCC1CCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2C#N)CC1 110263782 SJCBQHATKFQLIX-FGTMMUONSA-N 290.495 4.853 30 10 CJEE CCCCCCCCOc1ncnc(Cl)c1C(C)C 111293132 UOZNDAWQNOHDJM-UHFFFAOYSA-N 284.831 4.993 30 10 CJEE CCCCCCCCCCCC[C@@](C)(CN)[C@@H](C)O 115032253 UDOMGLLSFBHJKB-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCCCCC[C@@H](COCC)NC 115249295 XXQCXLRBSCUKPW-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCc1onc(N)c1-c1ccccc1F 116907231 RSYXHOHZUPVDCR-UHFFFAOYSA-N 276.355 4.576 30 10 CJEE CCCCCCC[C@H](CO)Cc1cccc(Cl)c1 117328284 YHWRLPIYNODLAI-HNNXBMFYSA-N 268.828 4.852 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NC)C12CCCCC2 117341608 RIPFXVGORXTLIK-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@H](N)CSc1ccc(F)cc1 117402403 VSEOILWGEMPWEV-OAHLLOKOSA-N 283.456 4.996 30 10 CJEE CCCCCCCC[C@@H](N)C(C)(C)N1CCCCCC1 118149476 PZJFAUPTENIPPW-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@@H](O)c1c(C(C)C)nn(C)c1Cl 122459585 CGHCHVPSBKZMJR-GFCCVEGCSA-N 286.847 4.591 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](OCC)C(C)(C)C 123617102 SYERMCLYHGLDST-HZPDHXFCSA-N 272.473 4.939 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cncc(F)c1 124110387 WIKLGMPZWICBIQ-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(C)c(F)c1 124682981 HCXMLNGJCABMFW-INIZCTEOSA-N 252.373 4.702 30 10 CJEE CC[C@@](O)(Cc1ccccc1)C1(C#N)CCCCCCC1 125256781 HHSJKCWPLOVGSY-LJQANCHMSA-N 285.431 4.624 30 10 CJEE N#CC[C@@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 131685657 YPECHSUNBPLUCE-OAHLLOKOSA-N 274.726 4.546 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCC(C)(C)C[C@@H]1C 131737198 DZVREZGDWWQMBZ-NHYWBVRUSA-N 274.383 4.633 30 10 CJEE Cc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)s2)c(C)s1 134708405 NMBHNICMBMYZPR-QWRGUYRKSA-N 290.457 4.710 30 10 CJEE CCSc1cccc(Oc2cccc(F)c2F)c1C#N 136717418 LABBZLFAWXHUEA-UHFFFAOYSA-N 291.322 4.741 30 10 CJEE C#CCCC[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 157942636 NZVLEZFYXYSCCJ-KVMJBUIKSA-N 274.448 4.538 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc(C(F)(F)F)c1 158921706 CLNMVRZENMPBGA-MRXNPFEDSA-N 299.380 4.828 30 10 CJEE C=C(C)CCOc1ccc(CNC(C)(C)C)cc1Cl 164383387 ICDLPWAWLGAIFR-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(C#N)cc2)s1 165862211 JWJMSBJFYPAOTI-UHFFFAOYSA-N 270.401 4.529 30 10 CJEE CCCCCCCCCOC(=O)c1ccc(N)c(Cl)c1 168661480 XRUCDOANIVXFMW-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE C=CCC[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccccc1 183347284 MNJVMJIRJWXWKM-RHSMWYFYSA-N 296.439 4.978 30 10 CJEE C=CCCCCCCC(=O)c1ccc(OCCF)cc1 201613275 ZCSGRUGHQPVKLA-UHFFFAOYSA-N 278.367 4.744 30 10 CJEE CCCCCCC[C@@](CC)(CCCC)CC(=O)NO 207009954 HCOAPURSRFJSTE-MRXNPFEDSA-N 271.445 4.829 30 10 CJEE C=CCCCC[C@H](CNC(C)(C)C)c1ccccc1 211904850 ZUCZOHQKYXLUES-QGZVFWFLSA-N 259.437 4.905 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1ccccc1F 222556216 PRWLENJQLIMKGF-KEYYUXOJSA-N 274.383 4.592 30 10 CJEE CCCC[C@H](CCC)N[C@H](C)c1ccc(C#N)cc1 225973190 VGCOEGOAODJWDS-PBHICJAKSA-N 258.409 4.568 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCCCC[C@H]1N 226743237 PUKJVSOCBMZQSF-JKSUJKDBSA-N 267.457 4.604 30 10 CJEE CC(C)c1cccc(Oc2cc(F)cc(C#N)c2)c1 227633606 ZCYCAYZHIPCEEN-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE C=CCN(c1ccc(C#N)c2ccccc12)C(C)(C)C 232501919 AIJPVWRGVHZFLT-UHFFFAOYSA-N 264.372 4.502 30 10 CJEE CC1(CNc2cccc(Cl)c2C#N)CCCCC1 232804431 OAKVTOHHPKBELI-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(Cl)c(Cl)c2)CC1 235293462 HAQHLROFECBDES-VIFPVBQESA-N 269.171 4.923 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc(Cl)ccc1Cl 236061195 KPRDAWVIIKJLGG-CQSZACIVSA-N 277.154 4.670 30 10 CJEE CCCCS[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252373341 QNUJEJJQJXZDCU-IXDOHACOSA-N 273.445 4.996 30 10 CJEE C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 252431378 IGWSAPXGPHZUHW-KLIQENQMSA-N 282.431 4.568 30 10 CJEE CC(=NO)c1ccc2ccccc2c1OCc1ccccc1 252454680 IHNRXCOQLIZOTH-UHFFFAOYSA-N 291.350 4.617 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2Cc3ccccc3S2)C1 252635361 FTSVFWYXJOXAGI-UNEWFSDZSA-N 271.429 4.814 30 10 CJEE CSc1ccc([C@@H](CC#N)C2CC2)c(SC)c1 260104015 GGAMGMLKMNTXJI-LBPRGKRZSA-N 263.431 4.538 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H]2C[C@H]21 302714506 YVBXVRPVBHKTAI-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE CC1(C)OB(/C=C/C2CCCCCCC2)OC1(C)C 307061915 MLNSSZGDRXZQJC-OUKQBFOZSA-N 264.218 4.535 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(OCc2ccccc2)cc1 309967098 LMYRYCIWUUOTAK-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@@H](CCC(C)(C)C)Nc1ccc(Cl)c(C#N)c1 310687978 OCTZKMNLABBNIL-NSHDSACASA-N 264.800 4.838 30 10 CJEE CCCC[C@H](CC)COc1nc(C)c(C#N)cc1Cl 311496872 VYECRASEOVRESY-LBPRGKRZSA-N 280.799 4.510 30 10 CJEE CCCCCCCCNc1nc(NC)nc2ccsc12 312770948 DKCYVUHMLYMABB-UHFFFAOYSA-N 292.452 4.505 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)CCCCO1 315114694 WFMUGIPWXZYDEO-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE CC(C)C1CCC(C=O)(CC2(C)CCCC2)CC1 317226364 LRZDGFBZFHYKPP-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=C[C@@H](C)C1(CNC2CC2)CCC(C(C)(C)C)CC1 319326129 HGEAERZRDQVVKJ-KSTDHSDQSA-N 263.469 4.783 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)CCCCCCC1 379281178 QRWCSHNRTXXIGI-YESZJQIVSA-N 275.436 4.978 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(OC(F)F)cc1 381758947 WPAHCKUPMZNYPD-BXUZGUMPSA-N 267.319 4.577 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCCOCc2ccccc2)C1 382011639 USFCRHHZMXSLAO-SJLPKXTDSA-N 271.404 4.703 30 10 CJEE C=CCCCCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 382226826 TUODOWKTOYGYQU-GOEBONIOSA-N 261.409 4.629 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CCC[C@@H](C)C1 383129353 RBKQYACZXNKXBK-ZIAGYGMSSA-N 258.471 4.566 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)CC1(CS)CCCC1 387311924 AILLIXWZMGOONN-INIZCTEOSA-N 291.504 4.777 30 10 CJEE C=C([C@H](CCC1CCCCC1)NCCC)C(F)(F)F 388553232 WKXUQDUWYGHMIZ-AWEZNQCLSA-N 277.374 4.834 30 10 CJEE N#CCc1cc(C(F)F)cc2scc(Cl)c12 396188282 KBEPTKLRMJGYDC-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)CCc1cccc(C)c1 398187564 QLVNQRDIPWOWHA-DLBZAZTESA-N 259.437 4.651 30 10 CJEE CCCCCCCCCC[C@@H](N)CCCSC 401498643 MRCHYDAQSCUINL-OAHLLOKOSA-N 259.503 4.988 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@@H](CSC2CCCCC2)C1 402946249 CAMKMWUTIXLEKR-WBVHZDCISA-N 294.508 4.503 30 10 CJEE C=CCCO[C@@H]1CCCCCCCCCC[C@H]1NCC 403415916 PGICCUMPQYBBGV-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE CCCCCCCCCNCc1ccc(C#N)c(F)c1 404111386 DRGOTFSFWUHTBZ-UHFFFAOYSA-N 276.399 4.538 30 10 CJEE CCCCCCCCCCCC[C@@H](N)C1CSC1 404991300 JWLMGNDXXKYWTO-MRXNPFEDSA-N 271.514 4.988 30 10 CJEE C#CCCCCCOc1ccc(Cl)cc1[C@H](C)NCC 686685658 KZEJMWMLIKDUKD-AWEZNQCLSA-N 293.838 4.583 30 10 CJEE C#CCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 686692726 GOQKHKBPSYBZSM-AWEZNQCLSA-N 270.203 4.577 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](C)C(C)(C)C 686696945 LNZALMRVTWECSR-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CC(C)(C)C#CC[C@@H](N)C1CC(C)(C)CC(C)(C)C1 688314898 BUWYRWFEEPBYEK-OAHLLOKOSA-N 263.469 4.606 30 10 CJEE CCSc1cccc(N=C2N[C@@H](C(C)C)CCS2)c1 690174356 BXNGYBAWVASDLF-CQSZACIVSA-N 294.489 4.537 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC(C)(C)C(F)(F)CC)C1 691808681 UXHXYWKWYOSCCZ-GXTWGEPZSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC[C@H](C)c1ccccc1 692215375 QIIVTEVLDPUAFW-QXAKKESOSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCC[C@H](O)c1cccc(F)c1N 696114817 QSRDVGDSTYSURA-INIZCTEOSA-N 281.415 4.972 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H](CC)[C@@H]3C)C[C@@H](C1)C2 697298079 VULGFIUTQPIUDZ-AHIDKQARSA-N 261.453 4.536 30 10 CJEE Cc1cc(C#N)ccc1N[C@H]1CCCC(C)(C)CC1 697603425 IAZARGXCVDAAKP-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@@H](Cc1csc(C2CC2)n1)NC 698856314 HOIPVRZXOJFLJS-HNNXBMFYSA-N 294.508 4.902 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@H](CCC)CC1 701856564 UYTMXGLOUSROBY-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@](C)(N)CC 702498162 DJIICCDDMSMYDF-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc2ccncc2c1 702705285 NYWWGEOWQOVORT-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@H]1CCCC12CC2 706270819 VQMDRQXFEBZYBH-HNNXBMFYSA-N 281.509 4.521 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc2sccc12 707672693 ZOWGYCZEHMYUQV-UHFFFAOYSA-N 265.337 4.874 30 10 CJEE C[C@H](N(C)c1ccc(Cl)cc1C#N)[C@]12CCCC[C@@H]1C2 709271905 ZMCGUXSEDROQEX-DXCKQFNASA-N 288.822 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CC(c2ccccc2)C1 709321908 AHBFFUNQVHOPCR-UGXKVIGPSA-N 269.432 4.657 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1OCC 709679371 OOYGKGVQVSPJPH-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccsc1Cl 710929733 TUVDGRFSAVKEAL-NSHDSACASA-N 271.857 4.524 30 10 CJEE CCCCCCC[C@@H](CNCCOC)C1CCCCC1 711299222 JFYXVTJYLQRBDJ-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2CCCC[C@@H]21 712491814 UBBZVXZDVNMECC-YESZJQIVSA-N 251.458 4.905 30 10 CJEE CCCCCCCN[C@@H]1CCC[C@H]2CCCC[C@@H]21 714305274 SJUZJJQCWUQUGO-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@@H](C)NC1CCC(C)(N(C)C)CC1 715580854 NSRYKTNEAKHEEB-WWDZGPRUSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715706863 USIRTOMYSAAHRB-XQFXFKQQSA-N 275.480 4.913 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cscc2s1 715724716 WKXDYARHWKVUAM-HZMBPMFUSA-N 265.447 4.826 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(Cl)cc2)CC1 724549906 RZCYBVFWGSCZPY-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=C1CCC(CC(=O)c2cc3c(s2)CCSC3)CC1 724589333 DUIRMLHJSLHIDA-UHFFFAOYSA-N 292.469 4.857 30 10 CJEE Cc1cc(CC#N)cc2sc(SC(F)(F)F)cc12 725314246 IHNLAKRWXJXXPA-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE CSc1cc2c(CC#N)ccc(C(F)(F)F)c2s1 725316139 INVRDKJPRHWXRF-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE CCC(CC)SCc1cc(Cl)ccc1OCC#N 735233069 HYVITZGNGBWVPV-UHFFFAOYSA-N 283.824 4.664 30 10 CJEE C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1sc(C(C)C)nc1C 767121227 BDIWOAORFDJWQR-AAEUAGOBSA-N 295.448 4.781 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(Cl)cc(OC)c1 829370647 KPBPATFVPCOYTO-MRXNPFEDSA-N 283.843 4.970 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 1124675772 MSXORNVRTKYGNE-INIZCTEOSA-N 291.822 4.654 30 10 CJEE C=CCCCN(CC)Cc1ccccc1CC(C)C 1176798807 YUZYHPBERCWKCZ-UHFFFAOYSA-N 259.437 4.673 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(OC3CCCC3)cc2)C1 1178700169 ITXPQXCWVBFJID-SJLPKXTDSA-N 299.458 4.842 30 10 CJEE CCCCCCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl 1192071236 RTYGYFXRUVSKDN-UHFFFAOYSA-N 298.814 4.650 30 10 CJEE C=CCCC[C@@H](NCc1ccc(C)nc1C)c1ccccc1 1308041914 YVVYABNEACUUOJ-HXUWFJFHSA-N 294.442 4.886 30 10 CJEE C=CC1(CC(=O)Nc2ccc(OCC)cc2)CCCCC1 1352082937 ZPWQSDJRQKHIIR-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1c(Cl)cccc1Cl 1355129310 BLOJKPHTHIEYSD-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H]1CCC[C@H](C)C1)c1ccccc1 1357585547 OPORVPGLDPAGHH-SCTDSRPQSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCNC(=O)c1cccc(C(F)(F)F)c1 1436189997 YKWFGRVGIFNCEO-UHFFFAOYSA-N 299.336 4.572 30 10 CJEE C=C(CC)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 1459564989 QLGQPRQNHIHIMM-ROUUACIJSA-N 257.421 4.529 30 10 CJEE C#Cc1ccc(CN2CCCCC[C@@H]2c2ccc(C)o2)cc1 1461901015 LKOISLUMYJGXSS-LJQANCHMSA-N 293.410 4.687 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C=C 1467150759 FAPRDYDQDNNMPQ-DOTOQJQBSA-N 284.403 4.586 30 10 CJEE C#CCN(CCc1ccc(C(C)C)cc1)C1CCCCC1 1474338995 LAMASRMYQWIIHB-UHFFFAOYSA-N 283.459 4.620 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 1514924223 BQSIOMWZLGHCPA-UHFFFAOYSA-N 295.810 4.668 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC=CCCC1 1520345735 OAKWWAHSEULRSR-LJQANCHMSA-N 297.442 4.728 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc2ccn(CCC)c2c1 1523493392 YYGUYNYHFXDBRU-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE C=C(C)CCC(=O)O[C@H](C)c1ccc(OCC(C)C)cc1 1524257893 FNNICDVIVRLGKM-OAHLLOKOSA-N 290.403 4.682 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccccc1)C(CC)CC 1526628625 QALACKVMNVJBCD-SFHVURJKSA-N 273.420 4.636 30 10 CJEE C=CC[C@H](C(=O)N(C)c1ccc(C)c(C)c1)c1ccccc1 1528936668 NQUQWDWRTCJQKB-IBGZPJMESA-N 293.410 4.626 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(C)cc2ccccc12 1533474087 KUYGYKJFZSIARW-UHFFFAOYSA-N 267.372 4.689 30 10 CJEE C#CCCCCCCN(c1ccc(OC)c(F)c1)C(C)C 1559644460 BIHVSCAFLGBUMQ-UHFFFAOYSA-N 291.410 4.633 30 10 CJEE CC1(C)CCCN(Cc2cc(Cl)ccc2Cl)[C@@H]1C#N 1559812646 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1659031809 AFSNCQIJRMFULK-OAHLLOKOSA-N 292.492 4.833 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(Cl)c2c(c1)OCCO2 1659139659 MLEWUOPZYCZMHJ-GFCCVEGCSA-N 295.810 4.658 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)C1 1664297156 ZXAUOBPUBVIZRG-HNAWSFBYSA-N 296.458 4.832 30 10 CJEE CCCC[C@](C)(C#N)SC(=S)c1ccccc1 1848434319 CDMXQLSMGWDAFL-CQSZACIVSA-N 263.431 4.568 30 10 CJEE C=C(C)Cn1c(-c2ccc(F)cc2F)nc2ccccc21 1873522092 JTUDSAUCOGWNHP-UHFFFAOYSA-N 284.309 4.558 30 10 CJEE CC(C)(C(F)(F)F)[C@@](C)(C#N)Nc1ccccc1Cl 1878632256 LMSJVSHATFQUMZ-GFCCVEGCSA-N 290.716 4.623 30 10 CJEE CCCCC[C@H](CC)Nc1ccc(C#N)c(F)c1F 1879301775 VNEFGYNYVPBZBZ-LBPRGKRZSA-N 266.335 4.607 30 10 CJEE CCCC1(C[C@]2(C#N)CCc3ccccc3C2)CC1 1882280049 UISIBDZSZKNMHV-SFHVURJKSA-N 253.389 4.656 30 10 CJEE C=C(CN(C)[C@@H](C)C1CCCCC1)c1ccccc1 1883329117 SWMMXJHBPHCAAT-INIZCTEOSA-N 257.421 4.600 30 10 CJEE C=CC1(C[C@H](NCC)c2c(C)cccc2F)CCC1 1887321758 GUBPHDHAUIUKFZ-HNNXBMFYSA-N 261.384 4.531 30 10 CJEE C=C(C(=O)c1ccc(SCC)cc1)c1ccccc1 1888718032 CUZDKZCBFZOFLG-UHFFFAOYSA-N 268.381 4.695 30 10 CJEE CC(C)C[C@H](CS)CSCC1CC(C)(C)C1 1905528648 CGJXGHPXSVVLQG-GFCCVEGCSA-N 260.512 4.748 30 10 CJEE CC1(C)CCC(C#N)([C@]2(O)CCC3(CCCC3)C2)CC1 1916400402 QLTHUIGHZVCNLY-SFHVURJKSA-N 275.436 4.572 30 10 CJEE N#Cc1cc(N[C@@H]2CCC3(CCCC3)C2)ccc1Cl 1916414384 DLLFYBPDYVHCMB-CQSZACIVSA-N 274.795 4.736 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 1919884389 WFXGSJIOFJEXMW-NCOADZHNSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](N)[C@@](O)(CC)C[C@@H](C)CC 1920219002 DBJHHXCYAFADKS-YESZJQIVSA-N 271.489 4.642 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1sccc1C1CC1 1920353853 YWKYTFPMNZZKRO-IAGOWNOFSA-N 295.492 4.737 30 10 CJEE C=C(C(=O)C1CCC(CCC)CC1)[Si](C)(C)C 1922943928 ZPVWZUCIEMCTND-UHFFFAOYSA-N 252.474 4.596 30 10 CJEE C=C([C@@H](NCC)[C@@H](C)C1CCCCC1)C(C)(C)C 1924102723 BSOMFNVMWIPOEO-BBRMVZONSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCCN1c1ccc([C@H](C)NCC)cc1Cl 1925155051 LWYQKLHYHDXURG-DZGCQCFKSA-N 292.854 4.555 30 10 CJEE Cc1cc(COc2cc(Cl)cc(Cl)c2)ccc1C#N 1968400433 CSIHSMIKNFSJCP-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CSc1ccc(CNc2ccc(C#N)cc2Cl)s1 1973404590 VUZZWAMIRTXHCT-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cc(Cl)cc(Cl)c1 1975918846 GNKNBNFJPABCIA-NOZJJQNGSA-N 258.192 4.596 30 10 CJEE C=CCCCC[C@H](N)c1ccc(Br)c(C)c1 1984522860 YSBHIINTCOWWHH-AWEZNQCLSA-N 282.225 4.504 30 10 CJEE CCCCCCCC(=O)c1cnc(CCC)s1 2004066133 CWAIHIQJTLAXLK-UHFFFAOYSA-N 253.411 4.639 30 10 CJEE C#CCCCC[C@H](NCC)c1cc(Cl)sc1C 2005491258 FVOONVPOMLEDOT-ZDUSSCGKSA-N 269.841 4.554 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1cccc(C)c1Cl 2024390297 DRKFWHSPERUFDH-RISCZKNCSA-N 251.801 4.511 30 10 CJEE CCCCCCCCCNc1ccc(Cl)nc1 2026318027 DJADJVLUIXQSPG-UHFFFAOYSA-N 254.805 4.898 30 10 CJEE C=C1CC(CN[C@H](CCC)c2ccc(Cl)cc2)C1 2029672061 SEJRGYNEWFJBHZ-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE CC1(C)CCC[C@@]1(C=O)CC[C@@H]1CCCC1(F)F 2032102618 BXZLQSCNWVFWNS-JSGCOSHPSA-N 258.352 4.597 30 10 CJEE CCC[C@](O)(CC#CC1CCCCC1)C(C)(C)C 2032501550 ROJRPQLKVCZZJS-KRWDZBQOSA-N 250.426 4.538 30 10 CJEE O=C(C=C1CCCCC1)c1cccc2sccc12 2033786636 BVELCNVNFNNNRX-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CCCCCCCCC(=O)C[C@H]1COC(C)(C)C1 2041408956 SCNPIOASBLRDQC-CQSZACIVSA-N 254.414 4.511 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCC(F)(F)CC1(C)C 2046427035 MKNFPYIOMXNCRI-OLZOCXBDSA-N 259.384 4.535 30 10 CJEE CCCCCCCCNCC1[C@@H]2CCCCC[C@@H]12 2048401331 UBXBXJWDWNIEFN-HZPDHXFCSA-N 251.458 4.763 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@]2(C)CCCC2(F)F)C1 2048967856 KVJWBJZVRIUSLD-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=CC1(C[C@@H](NC)c2cc(C)ccc2Cl)CCC1 2049038459 UIIRABDDYAADHY-OAHLLOKOSA-N 263.812 4.655 30 10 CJEE CCCCCCCCCN(CCC#N)C(C)(C)C 2050652041 PIHWGECHASXWPT-UHFFFAOYSA-N 252.446 4.751 30 10 CJEE CCCCCCCN(C)[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 2052293726 BIEAESKCDCBHEX-QZWWFDLISA-N 251.458 4.713 30 10 CJEE CCCCCCCCCCOCC[C@@](C)(N)CC 2056124894 IIHRZDJHFCXCOO-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1CCC[C@@H]1C(C)C 2059119323 PBLTXXMASIFEQW-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE C=C(F)C[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2062221336 OJMPJFAFJMRMAA-LBPRGKRZSA-N 281.783 4.942 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C=O)CCCC(F)(F)C2)C1 2065222617 YQVCKWHFKZUZEJ-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1(C(C)(C)C)CCC1 2071931907 BVLDCBISRIJDCR-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCNCC[C@H](C)P(C)(C)=O 2072367554 JCFUFEQSCHFAJV-HNNXBMFYSA-N 275.417 4.728 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CC[C@H](C)CC2)C1 2072787999 IOUGZSNWCBJNLP-ZOBUZTSGSA-N 250.426 4.988 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(CC)s1 2075370058 KJYSQYJEKAGEMQ-HNNXBMFYSA-N 263.450 4.545 30 10 CJEE CCC[C@@H](CS)CN(CC(C)C)C1CCCCC1 2076589210 HJOOWVVMZREKQI-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCCC(C)(C)C1 2083039501 WDQQKGNPLXUSOI-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@H]1C[C@@H]1CNC1CCC1 2083189358 ALIRBGWZXQIRPD-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CCCCCCCN(C)c1cc(Cl)c(C)cc1N 2085721065 WLSDCDBWBBXIBG-UHFFFAOYSA-N 268.832 4.637 30 10 CJEE C=CCCCCCC[C@H](CCC(F)F)NCCC 2085846580 HLMCXQRXJGGRKC-CQSZACIVSA-N 261.400 4.927 30 10 CJEE C=CCCCCCCCCCNC[C@H](C)C(F)F 2086282081 DHUPBXVAEQOZLY-AWEZNQCLSA-N 261.400 4.784 30 10 CJEE Cc1cccc(N[C@@H](C)C(C(C)C)C(C)C)c1C#N 2087316068 RSOFDSFANCJXQI-AWEZNQCLSA-N 258.409 4.595 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1ccc(Cl)c(C)c1 2089353837 DGXAOWDMWKORJX-MRXNPFEDSA-N 279.855 4.629 30 10 CJEE CCCN[C@H](CC#CC1CC1)c1cccc(Cl)c1Cl 2090199693 SUGMVJATUSRUDC-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE CC(C)(C)C1CCC([C@]2(C=O)CCC(F)(F)C2)CC1 2090727909 NEABAWHUGMNCPQ-SSDMNJCBSA-N 272.379 4.843 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](NCCC)C(C)C 2092182543 RFKFZSGJEAXMLC-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE C=CCCCN(CC)C[C@H]1CCCC[C@H]1C(F)(F)F 2092665487 GMOMMTCJPGNRJH-ZIAGYGMSSA-N 277.374 4.643 30 10 CJEE CC(C)C(C(C)C)[C@](C)(O)CC#CC1CCCCC1 2093449723 DLCJKDZBRYVESZ-GOSISDBHSA-N 264.453 4.639 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@@H](C)CC(C)C 2093450191 JOPGJKBSAYGCTQ-FUHWJXTLSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)CCc1nccs1 2094600339 BRVCAKGOEWGLDQ-GJZGRUSLSA-N 282.497 4.803 30 10 CJEE CCCCCCCCC[C@H](Cc1scnc1C)NC 2096127658 POEICEMKDTYNKQ-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CC(C)[C@@H]1[C@@H](C)CC[C@H]1Nc1ccc(Cl)c(C#N)c1 2096597553 SJDLPKGQGMNNHT-IUIKQTSFSA-N 276.811 4.694 30 10 CJEE CC(C)CCOCC[C@]1(C=O)CCCC(C)(C)CC1 2100872761 LNLYFEGMTFXTOC-KRWDZBQOSA-N 268.441 4.615 30 10 CJEE CCCCCCCC[C@H](NCC)C1(COC)CCC1 2101244039 XUGCTGOZCLKNCJ-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C[C@H](N(C)C[C@H](CS)C1CCC1)C1(C)CCCCC1 2101357470 BBKJCVQDGAZSNU-GOEBONIOSA-N 283.525 4.623 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(SC(F)(F)F)cc1 2102092252 ALOWCZPLLHDLHZ-MFKMUULPSA-N 290.350 4.934 30 10 CJEE N#C[C@@]1(C[C@H]2CCCc3ccccc32)CC=CCC1 2103895645 HFMFXDCQZQJBCB-AEFFLSMTSA-N 251.373 4.747 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1CC2(CCC2)C1 2105495012 RNWJUYPMOCBCFK-UXLLHSPISA-N 261.453 4.680 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(F)nc1 2107740283 WKRFOULYSMHXGV-UHFFFAOYSA-N 265.372 4.934 30 10 CJEE CSc1cccc(C(=O)CC#CC2CCCCC2)c1 2107752199 ZDDJSUPMMTZIRM-UHFFFAOYSA-N 272.413 4.565 30 10 CJEE CCCCCCCCC[C@@H](N)c1sccc1C(=O)O 2107787052 HZQPKHXMKFRJEF-CYBMUJFWSA-N 283.437 4.587 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@]1(CC)CCCCO1 2107787999 ABEYZPSVGMPODC-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=CCOc1ccc([C@H](N)CCCCCCC)cc1 2107803774 KIPUGONLNLICCM-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(SC(F)(F)F)cc1 2107900420 UTWKSLCWVZFQHX-CYBMUJFWSA-N 289.366 4.915 30 10 CJEE CCCC[C@@](C)(C#N)C1(O)CC(C)(C)CC(C)(C)C1 2108206544 LSKJBLVGAFHLBP-INIZCTEOSA-N 265.441 4.674 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cc2ncccc2s1 2108730354 ZHKGKSRJRXNFGR-BLLLJJGKSA-N 270.401 4.559 30 10 CJEE CCCCCCCCCCCCNCCC1COC1 2111195357 CRXDBJMOOTWGFL-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE C=CC1(C[C@H](N)c2cc3ccc(F)cc3s2)CCC1 2111711254 MAESLHBIAOCWLK-ZDUSSCGKSA-N 275.392 4.787 30 10 CJEE CC(C)C1CCC([C@@](C)(N)CC#CC(C)(C)C)CC1 2112095446 MSXFLXUYNSRXSN-HTWSVDAQSA-N 263.469 4.606 30 10 CJEE CC1(C)CCC[C@@](C#N)(C2(O)CCCCCCC2)C1 2112244091 LPGXVAMAYRFFDY-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE C=CCCC[C@@H](Cc1cc(F)ccc1Cl)NCCC 2116484652 RSMIBWUPLCDQME-HNNXBMFYSA-N 283.818 4.746 30 10 CJEE C#CCCCCC(=O)C(CC)(CC)c1ccccc1 2116844206 CZQJFZUBTZOYEH-UHFFFAOYSA-N 256.389 4.507 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccccc1C(C)(C)C 2117652288 UGGYYQUYDYDXTO-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE CCCCCCCCCCC(=O)c1cc(CN)cs1 2121253508 UTVOATLOLBKVOU-UHFFFAOYSA-N 281.465 4.920 30 10 CJEE C=CC[C@H]1CCCCN1Cc1cc(Cl)c(N)c(Cl)c1 2121943340 YNFPQAFZQRUOHP-LBPRGKRZSA-N 299.245 4.506 30 10 CJEE CC[C@H]1CC=C(C(=O)CSc2ccccc2F)CC1 2125223250 NDESTQVGAZRMFI-LBPRGKRZSA-N 278.392 4.623 30 10 CJEE C=C1CC([C@H](C[C@H]2CC23CCCCC3)NCCC)C1 2125666066 LUFSCXMILMVGPU-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](N)c2scc3c2CCCC3)CC1 2130575622 FQVOGLBHDYPHBR-INIZCTEOSA-N 275.461 4.763 30 10 CJEE CCCCCCCC[C@H](N)[C@](C)(O)CCC=C(C)C 2134042936 NXVNGXNNKWQZLC-DLBZAZTESA-N 269.473 4.562 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2134375538 IBOFVSKKZIVTLP-LVRVARRCSA-N 263.469 4.617 30 10 CJEE C=C[C@H](NC[C@H]1C[C@H]1C1CCCCCC1)C1CCC1 2135546838 VMXHNRCGQCDOOQ-SQNIBIBYSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@]1(C)NC[C@@]2(CCCC2(C)C)O1 2136786388 OPXCZCRFASGNFP-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCCCCC#CC[C@@](C)(O)[C@H]1CCCC(C)(C)C1 2138946200 AOMZAYUBDNGQAP-FUHWJXTLSA-N 264.453 4.928 30 10 CJEE CCCC#CCC1(CNC(C)C)CCCCCCC1 2139010116 ZSWZAPRDVZKZQV-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE CCCC#CCC(=O)c1cc(C(F)(F)F)ccc1Cl 2139051250 FDZNVGHLEVQXPT-UHFFFAOYSA-N 288.696 4.735 30 10 CJEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1)C1CCCC1 2139193983 CTXGKXADFGHXOW-IRXDYDNUSA-N 275.823 4.573 30 10 CJEE C=C1CCC(CN[C@H](C(F)F)C2CCCCC2)CC1 2139220646 LWVBYXNGGAPBPP-HNNXBMFYSA-N 271.395 4.536 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@H](CC)OCC 2141908267 MIBSMWASIMOKSY-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCC[C@@](N)(CC)c1cccc(F)c1 2141909295 SAMXZSNQBTWDPC-KRWDZBQOSA-N 263.400 4.916 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@H]2CCCC[C@@H]21 2141914494 RVNJKZRKTYIBSW-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@@H](Cc1cscn1)NCCC 2141918289 DRCOBTUWZWOBDT-HNNXBMFYSA-N 280.481 4.580 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](C)(O)CCC=C 2142398773 XSRGNWCSVROKCN-KRWDZBQOSA-N 266.425 4.580 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@H]1CC[C@@H](C)O1 2142435841 RJKGBULEYNVMMK-IXDOHACOSA-N 268.441 4.612 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccc(F)cn1 2142445719 IWFTUAIMTILPIG-MRXNPFEDSA-N 265.372 4.561 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H](CC)C(C)C 2142449507 ASUIIYJLDGUXPL-IRXDYDNUSA-N 268.489 4.807 30 10 CJEE CC[C@@H]1CC[C@@H](N=C2NC3(CCCCC3)CCS2)[C@@H]1C 2143395935 SRXRKCHPOWQUDW-RBSFLKMASA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H]2COC[C@@H]21 2143863926 BXUMAQHGYQIVAZ-BZSNNMDCSA-N 282.468 4.695 30 10 CJEE CCC[C@H]1CCSC(=NCC(C)(C)C2CCCCC2)N1 2144299408 UOYKAXLLVZLQOU-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC1(C)CCCC1)NCC 2148023606 YCDJLEBLEZTJPQ-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)C1CC(C)(C)C1 2148587522 CUURIHWNVOWMDO-SJORKVTESA-N 283.500 4.642 30 10 CJEE O=C[C@]1(CC2CCC(C(F)(F)F)CC2)C[C@H]2CC[C@H]1C2 2149006522 SHHFBLKVWNPRJK-HAGFKGRBSA-N 288.353 4.751 30 10 CJEE CCNCC1(CC#CC2CCCCC2)CCCCCC1 2149857667 KSRXLRPITVMLPX-UHFFFAOYSA-N 275.480 4.910 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnn(C2CC2)c1 2150424910 FRSAGQQBTDTKTI-KRWDZBQOSA-N 277.456 4.619 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1CCN(C)CC1 2151302558 AFMWANNAENHZPD-GOSISDBHSA-N 283.500 4.610 30 10 CJEE C=C(C)CC[C@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] 2152856559 ONGAZQBMIPUMBK-JTQLQIEISA-N 284.306 4.689 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCCC12CCC2 2153443677 UHJQTKZFIJKPIR-MRXNPFEDSA-N 272.367 4.531 30 10 CJEE C=C1CCC(C[C@](C)(N)c2c(C)cc(C)cc2C)CC1 2154683566 WNDGLYFZGGDASZ-IBGZPJMESA-N 271.448 4.922 30 10 CJEE CC1(C)CCC[C@](CC#CC2CC2)(CNC2CC2)CC1 2157117464 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GQSAVOOLIJTNPE-HOCLYGCPSA-N 295.785 4.623 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCCC23CCCCC3)cc1 2177232789 WWQPTMDSTATOAP-GOSISDBHSA-N 267.416 4.973 30 10 CJEE N#Cc1cc(F)c(NC2C[C@H]3CC=CC[C@@H]3C2)cc1Cl 2177383710 QCBWIOPDLYOFNM-GHMZBOCLSA-N 290.769 4.507 30 10 CJEE CCCCCCCCCCN1[C@@H](CC)CCC[C@H]1CN 2178462623 KDIVEAMKRCBMGL-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCOC1(C(=O)C2=CC[C@H](C)CC2)CCC(C)(C)CC1 2181255074 UYRPKPUPUPBJJI-AWEZNQCLSA-N 278.436 4.677 30 10 CJEE C#CC1(CN[C@@H]2CCCC[C@H]2C2CCCCC2)CCC1 2182313449 UGWIVYZRGYBOPW-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@@H]1COC(C)(C)C[C@@H]1NCC 2186190957 WHHRQJGARYREDN-SJORKVTESA-N 283.500 4.920 30 10 CJEE C[Si](C)(C)C#CCC1(O)CCC2(CCCCCC2)CC1 2187478676 MNAKRNLDPZNQDD-UHFFFAOYSA-N 292.539 4.903 30 10 CJEE CCC(C)(C)C1CCC(O)([C@]2(C#N)CCC2(C)C)CC1 2188517050 QOTNOONGQMSTTL-GMXGEUMGSA-N 277.452 4.674 30 10 CJEE C=CC1(CN[C@H]2CCCCc3ccccc32)CCCC1 2189509886 UXPYCQRDULLLEN-SFHVURJKSA-N 269.432 4.790 30 10 CJEE CC[C@H]1CC[C@H](CN(C)c2ccc(C)cc2C#N)CC1 2192822545 BLRSNPCDYNAICK-WKILWMFISA-N 270.420 4.519 30 10 CJEE CCCCCCCCCCCCNOC1CCOCC1 2193248647 QVFPJIQNCLWWRE-UHFFFAOYSA-N 285.472 4.608 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](CCC)COC)CC1 2193452667 UAGILJYFLSRCKI-ROUUACIJSA-N 281.484 4.554 30 10 CJEE C=C(CN(C)[C@@H](C)C[C@@H](C)C(F)(F)F)c1ccccc1 2195511879 AJZMAZFUNVBMMF-KGLIPLIRSA-N 285.353 4.609 30 10 CJEE CCCCCCCCCN1CCn2c(C)ccc2[C@H]1C 2195534336 YWKBLTOECKPGSZ-QGZVFWFLSA-N 276.468 4.924 30 10 CJEE CC#CCCCC[C@@H](NC)c1c(C)oc2ccccc12 2196175212 VYGVUNDFOMQVLW-MRXNPFEDSA-N 269.388 4.585 30 10 CJEE CCCCCCCCN(C)C[C@@](C)(CC)CNC(C)C 2196739572 TVLLKYSFAPBFJB-SFHVURJKSA-N 284.532 4.693 30 10 CJEE C#CC[C@H](C[C@@]1(CNC(C)C)CC[C@@H](CC)C1)C1CC1 2196855650 RVHKBPVETPJLQC-BHIYHBOVSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C1CC(C)(CC)C1 2197137786 QSWBSIUGZWASHT-JLAWEPINSA-N 271.448 4.894 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1 2200036679 XKGRPUZGKYBQGM-AITUJVMLSA-N 275.480 4.621 30 10 CJEE C[C@](C#N)(C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 2200496455 DYAVKWJWVYJNBG-BHIYHBOVSA-N 261.368 4.662 30 10 CJEE Cc1cc(C)c(C)c(C[C@]2(C=O)CCCC(C)(C)C2)c1 2203044650 MUBPXWLPMVMYDQ-LJQANCHMSA-N 272.432 4.940 30 10 CJEE CCCCCC#CC[C@@](O)(CC)C1CCC(F)(F)CC1 2203750997 LSUYTCPKTPHCNL-INIZCTEOSA-N 286.406 4.927 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc(C)c(F)c(C)c1 2203787983 SWBXSTJWZIWVIJ-KRWDZBQOSA-N 275.411 4.677 30 10 CJEE CCCCC#CC[C@H](NC)[C@@H]1CCC[C@H]2CCCC[C@H]21 2203811052 SXFAPDUNKRZBNC-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1cnc(CCC)s1 2203831826 GBVFLTRCHBHPJZ-OAHLLOKOSA-N 292.492 4.720 30 10 CJEE C#C[C@H](NC[C@H]1CC[C@H](CCC)CC1)C1CCCCC1 2203845779 ISDCZHZZLSRRIN-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE CC(C)[C@H]1CC[C@H](N=C2NC3(CCCCCC3)CS2)C1 2206139528 ZPKSEFHNZXZOFI-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE CCCC[C@@H](C)CCC(=O)Nc1cc(Cl)ccc1C#N 2207020109 WLBWZNJCYRUAEX-GFCCVEGCSA-N 292.810 4.757 30 10 CJEE C=CCCCCCCCCN1CCC(OCCC)CC1 2207374343 BBLYAWFPJZHHJD-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCN1CCC[C@](C)(OC)C1 2207381154 GIWSURLDZLNFFW-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCC[C@H](O)CC[C@@H](CC)CCN 2207395023 BIJNGZKQYOBKBG-MSOLQXFVSA-N 283.500 4.809 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCOC12CCCC2 2207397255 ROXDKQGEARUSRM-QGZVFWFLSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1CCOC1(C)C 2207401346 BILKJIVWVDRUFJ-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@]1(CN)COC(C)(C)C1 2207407487 DLOIPXMSVCPGBN-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@@](C)(N)C[C@H]1CCCO1 2207432283 NOBCAIRJMYDYIM-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1CCCCN1C 2207434698 GNNADJGXASLVIA-ZWKOTPCHSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC(=O)CCc1ccccn1 2207440356 DMCXZKLAQLFHCX-UHFFFAOYSA-N 273.420 4.890 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1CCC2(CC2)C1 2207448370 LHQPXNMAJJIQDF-CVEARBPZSA-N 280.452 4.637 30 10 CJEE C=CC1(CC(=O)c2scc(Br)c2C)CCC1 2210635111 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CCCCCCCCCO[C@@H](C)CCCNC1CC1 2230992001 ZJBGVUXECLWMQG-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=C[C@@H](CC)OCCC(CC)(CC)CN[C@@H](C)CC 2231021520 GYWAQSYLLLHFQP-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2231898310 GHRSHFZAPJUQES-FFRHEMAXSA-N 263.469 4.747 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)c1 2233673206 DGBDTMKRNKOQCQ-AGGWBTHJSA-N 288.822 4.840 30 10 CJEE CC(C)(C)C#CC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2233872232 SDIPQVXXWMRGFU-KOCGSPDRSA-N 272.432 4.602 30 10 CJEE C=CCCCCCCCCOC[C@@H](N)C(C)(C)C(F)F 2234049299 VIZSKWRCIUFLPM-CQSZACIVSA-N 291.426 4.538 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1nccc(C)c1F 2235513676 LVUWFSOSXBHKSD-OAHLLOKOSA-N 278.415 4.706 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCC12CCOCC2 2235532296 IZJVWVOJEHQRKB-SFHVURJKSA-N 280.452 4.615 30 10 CJEE C=CCCCCCCC[C@@H](N)C1(OCC)CCCCC1 2235540097 SWLFVQYPIIIZOM-QGZVFWFLSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@H](C)c1ccccc1 2235542438 SFYYMGYFDDHNQG-FUHWJXTLSA-N 274.452 4.539 30 10 CJEE CCCCCCC[C@](C)(O)c1cc2ccccc2cn1 2235978811 INXIHISXLUDZSJ-SFHVURJKSA-N 271.404 4.803 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)[C@H]1CC1(C)C 2239449218 NPZSSQVHRLDCJF-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE C=C[C@H](CC)OC[C@@H](NCCC)c1ccc(Cl)c(F)c1 2239491424 AGHJVCKOVQPTPL-CZUORRHYSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCCO[C@](CC)(C(=O)O)C1CC1 2239497989 CSGVVZWXAIQJNY-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE O=C(C#Cc1ccc(Cl)cc1)c1cc2ccccc2s1 2239556673 LVXAFFBPTXILIZ-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCCCCCC[C@@H](O)C#Cc1ccc(C)cc1 2239631539 HHMWHOIRLKNKKA-LJQANCHMSA-N 272.432 4.848 30 10 CJEE Cc1ccc(-c2nc(Cl)cc3ccccc23)cc1C#N 2239762607 MMPVICGWBKWIAJ-UHFFFAOYSA-N 278.742 4.735 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H]1CC[C@H](C)C1)C(=O)O 2240616585 SNLLNHGBZSVZBA-UXLLHSPISA-N 284.440 4.786 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCCC(F)(F)F 2240638480 UXIDLXLSUFXENU-ZIAGYGMSSA-N 297.405 4.548 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCCOC1(C)C 2240641716 DOYHHDNOWGVCSI-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](C)NCc1ncc(C)cc1C 2240646630 BGFOQCBZSFSNIW-KRWDZBQOSA-N 276.468 4.927 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2(C)CCC2)C1 2251704172 AJJUQIUKUCXYHV-RDBSUJKOSA-N 251.439 4.628 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@H](CC)CCC 2259440203 CPARJRMLVBZFRQ-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCCCCCC[C@@](C)(O)CC#CC1CCCC1 2261157024 STSNHDFBNDJOHT-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE Cc1cc(NCc2ccsc2C#N)cc(C)c1Cl 2263184658 PEOXGTYDWLKAOC-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCCCCCCCC[C@H](C)[C@H](F)C(=O)OCC 2263660859 KDGOUIQWJMFZFG-KBPBESRZSA-N 260.393 4.664 30 10 CJEE CCCCCCCC[C@]1(F)CN[C@H]2CCCC[C@H]2C1 2264958358 SIBPVAIKRCEVCR-YESZJQIVSA-N 269.448 4.997 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@@H]1CCCC12CC2 2266602541 NBGNXYIQDHNMMH-YESZJQIVSA-N 259.437 4.530 30 10 CJEE C[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)CNC(C)(C)C 2268736210 RDUUNQFZHATHQG-HOTGVXAUSA-N 263.469 4.643 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1sccc1C 2268736878 CXUNMRPTZYSTLS-HNNXBMFYSA-N 275.461 4.703 30 10 CJEE C=CCCCSc1ccc(C(C)=O)c(C(F)(F)F)c1 2271596953 PENYQGIOEIYHOA-UHFFFAOYSA-N 288.334 4.966 30 10 CJEE C=C(C)CCCC[C@H](NC)c1c(F)cc(F)cc1F 2271792545 VHZDUYTYSZODJT-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CCCCCCCOCC[C@@H]1CCCC[C@H]1NCC 2273191518 MKIBMMIHJNVNLS-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1scc(C)c1C 2273964936 IVCSEVCYQIVZRT-MRXNPFEDSA-N 275.461 4.599 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1ccoc1Cl 2273975319 IEIPZBCXQNAUJW-OAHLLOKOSA-N 279.811 4.557 30 10 CJEE CCC[C@H]1CCC[C@H](NCC#CC2CCCC2)CC1 2274111835 BOVBIRVIQQYLPW-WMZOPIPTSA-N 261.453 4.519 30 10 CJEE C=C(C)CCCC[C@H](CCCCCC)OCC(=O)O 2276113839 JMIDKMLPMBFACY-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@H](CCCCF)OCCCN 2276209942 ICIQOCPTKMXHJM-MRXNPFEDSA-N 275.452 4.611 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ncoc1C 2278234028 JRYURBRGODDVGC-CQSZACIVSA-N 266.429 4.602 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H](C)O1 2278239461 ZCHCFWYXFFONJA-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCCCCCOc1cc(C(=O)O)cc(C(C)C)c1 2280728599 KJGBAMWYUQIIGE-UHFFFAOYSA-N 278.392 4.857 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCC[C@H]2CC[C@H]1O2 2283903538 MAPHYZIEPOWZQM-RCCFBDPRSA-N 281.484 4.946 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CCC(C)(C)C1 2284098053 DAGURWPQNPWKFF-SJORKVTESA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(C(F)F)cc1 2284137738 RWTVGDYKIISMOD-OAHLLOKOSA-N 278.342 4.653 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)CC(F)(F)F 2284171321 UKPDFODOSBZWEN-ZDUSSCGKSA-N 289.385 4.549 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](NCC=CC#CC(C)(C)C)CC1 2284183670 VKBPKBZALDXHAV-QZTJIDSGSA-N 275.480 4.787 30 10 CJEE CCC[C@@H](CC)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2287673525 MXCBBOMIQKKOHQ-CTMQZQKCSA-N 279.468 4.920 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C 2289684912 ATTYJUOPEPPCHY-SZVBFZGTSA-N 275.480 4.621 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1ccc2sccc2c1 2289695793 LRNXOUKINHGESW-QGZVFWFLSA-N 283.440 4.746 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1cccc(C)c1 2289704497 LTHDCSSHDDTLLT-LJQANCHMSA-N 269.432 4.619 30 10 CJEE Cc1ccc2oc(C(=O)C#CC3CCCCC3)cc2c1 2289761007 VYHCQCWAWXNPIU-UHFFFAOYSA-N 266.340 4.508 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C12CCC(CC1)CC2 2289788183 BOZRVQRVCCVHBN-JLAWEPINSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@H]1C[C@@H]1C(C)(C)C 2289856283 ZXVWYWXQDSWMJH-OKZBNKHCSA-N 275.480 4.621 30 10 CJEE CCCN[C@@H]1[C@H](CC#CC2CCCC2)CCCC1(C)C 2289884543 XJGUHWXVMAIOIO-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE N[C@@H](CC#CC1CCCC1)[C@H]1C[C@H]1C1CCCCCC1 2289905622 UARUIHLKXRUSFP-FHWLQOOXSA-N 273.464 4.504 30 10 CJEE CC(C)(C)CC1CC(CN[C@H]2CCCCC[C@@H]2C#N)C1 2290037421 PRCFSDGOGZUKLJ-BACDZXNISA-N 276.468 4.511 30 10 CJEE C=C(C)CC[C@]1(OCCC(=O)O)CCCC(C)(C)CC1 2291686684 IHCATFFSQUMTAZ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@H](C)C1CCC1 2292775816 GQBOXYXGHRWUSH-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(C=C1CCCC1)OCCN 2293169375 YMOVIYKPBCYYKV-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](OCCN)C1=CCCCCCC1 2293248999 PYSVNOGZDRARKR-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)C=CCCC1 2293529129 ZTPLCSPXKPAMJS-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CC[C@H](CC)C1 2295522610 PWGNHSRXQMOIMP-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1sncc1C 2295597110 QYCRDNNWBCZTEW-INIZCTEOSA-N 297.464 4.526 30 10 CJEE CCCCCCSC[C@@](C#N)(C[C@@H](C)CC)NC1CC1 2295711571 PIHQOLZFRIOIJR-RDJZCZTQSA-N 296.524 4.750 30 10 CJEE C=CC[C@H](C)Sc1nc(C(C)C)nc(Cl)c1C 2298885156 JHHINMSJOJXUPR-VIFPVBQESA-N 270.829 4.619 30 10 CJEE O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccsc1 2301260025 UHHAXQBDDZUZTK-UHFFFAOYSA-N 291.375 4.706 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(CC)c1 2304039065 STXKRTHITHAQGZ-WFASDCNBSA-N 251.439 4.563 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C)cc(Cl)c1 2304124448 DSNOYQRJSGJXFD-LSDHHAIUSA-N 252.785 4.674 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]12C[C@H]1[C@H](C)C2 2308838011 CZDCZGSARIBDSA-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCC2)CCS1 2311618374 SCZSCSLBNPVUFK-SYAUCNOPSA-N 263.450 4.628 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(C)sc1C 2316750472 UFADCBSIEPSZBX-INIZCTEOSA-N 263.450 4.784 30 10 CJEE CN(c1ccccc1Cl)c1ccc(Cl)cc1C#N 2317127056 NMXNOQNRVIOKOA-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE C=C(C)C[C@H](C[C@@]1(C)CCCC1(F)F)NCCC 2319290243 DKSCBPQTNAYSAP-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccc(Cl)cc1C 2321229603 XKDCOOJBNSXITG-HZPDHXFCSA-N 266.812 4.544 30 10 CJEE CC1(C)CC(CS)(CO[C@H]2CC(C)(C)C2(C)C)C1 2321722220 GMKDFCWCQKVIEP-LBPRGKRZSA-N 270.482 4.564 30 10 CJEE CC[C@@H]1CCC[C@@H](OCC2(CS)CC(C)(C)C2)C1 2321741848 SBIKXKJOPLZEGP-ZIAGYGMSSA-N 270.482 4.708 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334334687 PFWZMKYVGWVZCI-CVYDXHPNSA-N 262.437 4.988 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@]23CCCC[C@@H]2CC3)CC1 2334784260 CUIFWJJEDNSXKN-YXJHDRRASA-N 260.421 4.908 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@@H](SC)C2)CC1 2335884388 RAHJTSIOARCECX-IXDOHACOSA-N 281.509 4.633 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(C)c(CC)c1 2336274751 OKGNWXJTRVUWLS-RDTXWAMCSA-N 259.437 4.810 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccncc1C(C)C 2338608058 AODPWEVSLPNCHU-QGZVFWFLSA-N 260.425 4.731 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC 2338659194 CTOJLHRWJKEMMN-UAGQMJEPSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCC[C@@H](C)CC1 2338730631 SCPWWYCCMMURDJ-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE C=CCCCCCCCCC[C@@H]1CCC(=O)CC1=O 2339536305 JOMKGBZECNVUIV-OAHLLOKOSA-N 264.409 4.622 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCCC 2344337060 NUCZYERIJBFGGQ-VVLHAWIVSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(C)cc1Cl)NCC 2344347094 YUKGBBVXQFEROC-MRXNPFEDSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@H]1c1ccccc1 2344473770 MOCJEHBESDNYAK-XDNAFOTISA-N 258.405 4.534 30 10 CJEE CC1(C)CC[C@H](CC[C@@](C)(C=O)c2ccccc2)C1 2344887309 ZCJKHRIVXRKYLX-QAPCUYQASA-N 258.405 4.750 30 10 CJEE CCCCCCCCCOCc1cc(F)ncc1C 2352396525 ARCLSSZHLBTTHA-UHFFFAOYSA-N 267.388 4.796 30 10 CJEE C=CCCCC[C@@H](N)C1CCC(CC(F)(F)F)CC1 2353611888 ARHGFYAJPGGSTF-JXQTWKCFSA-N 277.374 4.819 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@]1(CN)C[C@@H]1C 2354274146 MNBJRUKUDVFIGI-RCCFBDPRSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CCC[C@@H]1C[C@H]1C 2356060550 NVUDUJRQKGXVCE-BRSBDYLESA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)Oc1cccc(Cl)c1[C@@H](C)NCC 2360214535 JMAJPYZJEQGOCX-CYBMUJFWSA-N 293.838 4.910 30 10 CJEE C[C@@H](Nc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 19905196 QJVNFGPRRHAEOE-LLVKDONJSA-N 290.288 4.750 30 10 CJEE Cc1ccccc1C1CC(Nc2ccc(C#N)c(Cl)c2)C1 36846142 KYONZNQNCWDFRL-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE N#Cc1c(Cl)cccc1Sc1ccc(F)cc1 48935859 HKCKCOHBAWXVNE-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1 49541003 IUYYSDDZCGDALV-CJNGLKHVSA-N 284.428 4.812 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@H]2C#N)c(Cl)c1 54824615 BVMFSCZZDGKYNU-GXTWGEPZSA-N 262.784 4.533 30 10 CJEE Cc1ccc(N[C@@H](CC#N)c2ccccc2)c(Cl)c1 55016101 IPIBOGOKXWBZGC-HNNXBMFYSA-N 270.763 4.715 30 10 CJEE C[C@@](C#N)(CCOc1ccccc1Cl)c1ccccc1 57687647 LJHJNJZZXKNZGT-KRWDZBQOSA-N 285.774 4.590 30 10 CJEE CCc1ccc(OC)c(C[C@@H](C#N)c2ccc(Cl)cc2)c1 57761571 YGRXLFSWGRQENS-INIZCTEOSA-N 299.801 4.761 30 10 CJEE C[C@H](CCc1ccccc1)Nc1cccc(Cl)c1C#N 70144729 BWTDHSBJRGGKHZ-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE Cc1cc2c(C#N)c(Cl)n(Cc3ccccc3)c2cc1C 71465771 ZRMKZVRVUZFRMC-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CCC(CC)(CC)Nc1ccc(Cl)cc1C#N 86643808 DJCCOBDRKDMRIV-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCCOc2ccccc2)C1 87930301 OYVOWCYFZWNILZ-RDJZCZTQSA-N 257.377 4.566 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87930432 KRSVQEWTYJHCHS-IUODEOHRSA-N 281.321 4.968 30 10 CJEE Cc1ccc(SC[C@H](CS)c2ccccc2)cc1 94588739 WJCDZRFSVWECAL-HNNXBMFYSA-N 274.454 4.801 30 10 CJEE CCCCCCCO[C@H]1C[C@H](CCC)CC[C@@H]1NC 103978095 VDAOIQNAEBQKAL-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCOCc1cc([C@@H](C)O)ccc1OC 105876190 QPCDJXGMIPQMOZ-OAHLLOKOSA-N 294.435 4.626 30 10 CJEE C=CC[C@H](C)c1cc(C(F)(F)F)ccc1OCC 107475073 BDECUVGYUALSCR-JTQLQIEISA-N 258.283 4.784 30 10 CJEE COc1c(C(C)C)cc(Cl)cc1[C@@H](C)CCS 107631255 MKARTLXNKGCKCI-JTQLQIEISA-N 272.841 4.895 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)CC[C@@H]1NCCC 110083705 SYCWCIVWAYVCJV-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCN(CCC)C1(CN)CCCCC1 110106562 OFBHLVMYEDMVMN-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCCN[C@]1(CO)CCC[C@H](C)C1 110169134 OKIYAQQKRVQHPK-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE Cc1cccc(C)c1Nc1ccc(C#N)cc1Cl 110253210 UJQIPMAVMUNNFK-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCC[C@H](C)Nc1c(C#N)cnc2ccccc12 110465453 ZPFGUSYPEWFMQL-AWEZNQCLSA-N 281.403 4.877 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1OC)NCCC 112893691 RWJHIXOXSLLNOW-SFHVURJKSA-N 291.479 4.966 30 10 CJEE C=CC[C@H](NCCC)C1(c2ccccc2)CCCCC1 112900133 SXASFBBQULVCFX-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCCCCCCCCC[C@@H](N)CSCCC 114861860 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CCCCCCC[C@@H](NC)c1ccc(C)c(OC)c1 158100409 KPXMDDMJBIJLFD-MRXNPFEDSA-N 263.425 4.625 30 10 CJEE CCCCCC[C@@H](O)C1(C#N)CCCCCCC1 158990678 PHYDWXFYISZCBS-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCCC[C@H](CNCCOC)C1CCCC1 160024315 GZEIAKKVNXULKQ-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCNc1ccc(Cl)cc1C(=O)O 161038209 ZJQOGRRPFDEMEU-UHFFFAOYSA-N 283.799 4.811 30 10 CJEE Cc1cc(C#N)ccc1COc1cc(C(C)C)ccc1C 165556185 MQIPSDNQZAMXBP-UHFFFAOYSA-N 279.383 4.878 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2ccccc2s1 167723989 AZBFRZCKYGALBY-CQSZACIVSA-N 259.418 4.908 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC1CC1 219716688 QGFHDVFZTMAIRT-ARFHVFGLSA-N 263.469 4.783 30 10 CJEE CC(C)CCCCNc1cc(Br)cc(C#N)c1 227625577 FKVNXSLESLPJCM-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCCCCCCCSCC1(CC(=O)OC)CC1 232955949 DULDFDUHEOFVPR-UHFFFAOYSA-N 286.481 4.814 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@@H]1CNCC 232960848 OUUOVWWIRBJTJG-SJORKVTESA-N 269.473 4.532 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc2c1CCCN2 236394330 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281.484 4.673 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@@H](C)c3ccccc32)CC1 724451790 SKXBJUQUSXGYHU-BEFAXECRSA-N 269.432 4.961 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(C)c(F)c2)CC1 724553378 HWKIJHYUJZLDTQ-CQSZACIVSA-N 261.384 4.531 30 10 CJEE C=C1CCC(CC(=O)c2cccc3ccncc23)CC1 724608398 KEWWVCRKUOFPGO-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE CCc1cccc(N=C2N[C@H](C3CCCC3)CCS2)c1 725070918 OATJHXIPBFYWAI-INIZCTEOSA-N 288.460 4.522 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1129405329 DRNSPDPCOICXAR-UONOGXRCSA-N 299.389 4.758 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C)c(SC)c1)c1ccccc1 1144582344 HTRRICLBDWQFDV-MRXNPFEDSA-N 297.423 4.625 30 10 CJEE C=C[C@@H]1CCCCN1CCCc1ccc(C(F)(F)F)cc1 1169865118 ZGNNAKWROCVOCT-MRXNPFEDSA-N 297.364 4.679 30 10 CJEE C=C(C)CN(CCCCC(F)(F)F)Cc1ccccc1 1169952955 MVMULFFLGVQNRW-UHFFFAOYSA-N 285.353 4.797 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccc(SC)cc2)C1 1181154139 LHHSXLBYRFSWKU-FMKPAKJESA-N 275.461 4.804 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 1183255836 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4.696 30 10 CJEE C=CCCCCCCC[C@@H](C(=O)O)c1ccc(F)cc1 2235536424 VOSFKZGLNNSVQV-MRXNPFEDSA-N 278.367 4.911 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ncc(F)cc1F 2235537549 CJWNQIASWLPQFP-OAHLLOKOSA-N 282.378 4.537 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](C)Oc1ccccc1 2235539650 QNZGYECOUULLLA-MRXNPFEDSA-N 274.404 4.940 30 10 CJEE Cc1sc([C@H](O)[C@]2(C#N)CCCC23CCC3)c(C)c1C 2236831907 AJWLMHXFVLJLLC-DOTOQJQBSA-N 289.444 4.571 30 10 CJEE CCCCCCCCCCOCC1(C(=N)N)CCCC1 2239506611 BOROCFSBAFFWNI-UHFFFAOYSA-N 282.472 4.640 30 10 CJEE CCCCCCCCCCCOC[C@]1(F)CCCNC1 2239548649 FSUBIIZWKHDXLK-KRWDZBQOSA-N 287.463 4.626 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)c1nccs1 2239554772 OJIXDIPCQKKJCF-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE CCCCCCCCCCCOC[C@H]1CNC[C@@H](C)C1 2239555025 RODHNENLHITSLJ-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(N)C#Cc1ccc(Cl)cc1 2239562122 HOZPITVYNQTHKJ-SJLPKXTDSA-N 289.850 4.625 30 10 CJEE CCCCCC[C@H](C#Cc1ccc(CC)cc1)NCC 2239752959 GHDQLIAIEZXRSX-LJQANCHMSA-N 271.448 4.549 30 10 CJEE 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CCCCCCCCC[C@H](OCCN)C1(CC)CC1 2276639096 LUESEUVZKRGZNW-INIZCTEOSA-N 269.473 4.661 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@H]1CCC[C@@H](CC#N)O1 2277709643 AEDBUJLVKBRNAH-VHSXEESVSA-N 289.322 4.599 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC(C)(C)CCO2)CC1 2280344224 ODDIQXVOEKOCEG-UPTPFMHGSA-N 280.452 4.757 30 10 CJEE Cc1cc(NC[C@@H]2CCC=CCCC2)cc(C)c1C#N 2280563627 XSEFUTBFZCMXPD-MRXNPFEDSA-N 268.404 4.724 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CC(F)(F)C12CCC2 2280811125 MTFFIAKDYSMBTM-UKRRQHHQSA-N 284.390 4.988 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CC(F)(F)C23CCC3)CC1 2280915924 VVCPVCIELZSOMN-OCCSQVGLSA-N 282.374 4.764 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CCCc1ccccc1 2284108238 SXLQSIZSHXQGQF-UHFFFAOYSA-N 268.400 4.574 30 10 CJEE CC[C@H]1CC[C@H]([C@H](CC=CC#CC(C)(C)C)NC)CC1 2284158280 JFPXIIUMELDYHO-BZSNNMDCSA-N 275.480 4.787 30 10 CJEE N#C[C@@H](c1c(F)cccc1F)[C@H]1CCC2(CCCC2)C1 2285129002 NPKSVSFHXHCWJZ-QWHCGFSZSA-N 275.342 4.932 30 10 CJEE C=CCCSC[C@@H](NCCC)c1ccc(CCC)cc1 2287195891 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277.456 4.576 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cscn1 157313317 CHQGZJWZFRWQJK-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CNc2ccccc21 158022219 YXXUGMMZEBSPFQ-INIZCTEOSA-N 273.420 4.906 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(C)(C)OCC 159812138 YJDDOYYWMNWVBF-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE N#Cc1cc(-c2ccc(-c3ccccc3)cc2)ccc1O 161432339 PRYLIHYKGQJXRG-UHFFFAOYSA-N 271.319 4.598 30 10 CJEE C=C(C)CCOc1ccc2ccccc2c1Br 164431337 AEIQQQNQMZXPFE-UHFFFAOYSA-N 291.188 4.947 30 10 CJEE CC(F)(F)c1cccc(N[C@@H](C#N)C2CCCCC2)c1 187041473 RXEXWGLTNYMQSX-HNNXBMFYSA-N 278.346 4.683 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncc(C)cc1C 227562240 SCPXHQRXHUVODY-MRXNPFEDSA-N 263.425 4.873 30 10 CJEE CCCCCCCC(=O)Cc1cccc(F)c1Cl 229500489 OYAVDGJXJMVPMB-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE C=CCCCCC[C@H]1CCCC[C@@H]1CNC(C)C 232664219 KUUXKXHHZYRCOT-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Br)cc1C 235767758 CIZNEYHIQBBYBV-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE Cc1ccc2sc(Nc3ccc(C#N)cc3Cl)nc2c1 236006392 WVKBYACUOUQOOQ-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(Cl)c(F)c1 236161667 GNYJBHYJNGANQP-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Cl)cc1F 236315869 OVJWRXUMHQILPP-CQSZACIVSA-N 255.764 4.615 30 10 CJEE CCC[C@@H](CS)CN(C)[C@H](C)c1ccccc1Cl 251213150 XFNUPXHMFCSHTP-CHWSQXEVSA-N 285.884 4.679 30 10 CJEE Cc1cc2c([C@H](C)C#N)c3oc(C)cc3c(C)c2o1 260787823 YKGJVPFLXRUTQV-MRVPVSSYSA-N 253.301 4.731 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCCC(F)(F)C1 302390740 PIUPNOXQZIAGIE-KBPBESRZSA-N 262.384 4.923 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(C)cc2C)c1 308121448 KEKMSAXCZNYUIU-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE N#CC1(C[C@@H]2CCCc3ccccc32)CCCCC1 311385961 PACWIGZMYNMENH-INIZCTEOSA-N 253.389 4.971 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnc(C)n1C 312383904 MTMUXNOAXIKVIL-INIZCTEOSA-N 279.472 4.520 30 10 CJEE C=CCCCCCCNc1c(F)c(F)c(F)c(F)c1F 312506110 YTIQWVMHFXVZDJ-UHFFFAOYSA-N 293.279 4.931 30 10 CJEE CSc1cccc(NCc2ccsc2Cl)c1C#N 312771724 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4.742 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@@H](CS)C(C)(C)C 387398434 KMKCZARPQZJIQO-RDJZCZTQSA-N 293.520 4.879 30 10 CJEE C=C(COC(C)C)[C@@H](NC)C1CCC(CCCC)CC1 387628568 DTTHTVCVIJQMJC-DAWZGUTISA-N 281.484 4.552 30 10 CJEE CCCCCCCn1ccc(CNC(C)(C)C)c1C 388805163 PYQKIDJMLUXSCA-UHFFFAOYSA-N 264.457 4.655 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccsc2Br)C1 389058769 AUMUUPHDHJDVHK-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CCCCCCCCCCNCc1ccc(CC)cn1 393278962 XBZTYUNXWDKYCI-UHFFFAOYSA-N 276.468 4.874 30 10 CJEE O=C(C1=CCCCCCC1)c1csc(Cl)c1 393949126 VOQQLBAIAUZRBP-UHFFFAOYSA-N 254.782 4.865 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@H]1CCC[C@H](CC)C1 395738741 UQVLTOAGVGOFGZ-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 398050750 DGKIFNFOEVMVPW-LLVKDONJSA-N 282.309 4.734 30 10 CJEE N#Cc1cccc(Nc2cc(Cl)c(Cl)c(Cl)c2)n1 404288883 ZFQIAPPKYARZNV-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE N#CCc1cc(-c2c(Cl)cccc2Cl)cnc1Cl 514262701 YZUBXSCYEUABIO-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCCNc1ccc(Cl)c(C(F)(F)F)c1 686680784 FHUCEWSNZSGBQB-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCC2CCOCC2)C1 688336761 GWJIJHOEWHUMID-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE C[C@H]1CC[C@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)O1 688341542 HNZAZBGNUINABE-UONOGXRCSA-N 263.425 4.690 30 10 CJEE CC[C@@H]1NC(=Nc2cccc(C3CCC3)c2)S[C@H]1CC 690149903 GZIKOGLIPYQMLS-HOTGVXAUSA-N 288.460 4.835 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(Cl)cc(F)c1F 690912958 ILJLKZPMBLENMI-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C1CCC1 692691332 CJTGOGUBVXJLBJ-SKDRFNHKSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCC(=O)CCNCc1ccccc1 701212657 SGXYMSCSDPNXQO-UHFFFAOYSA-N 289.463 4.876 30 10 CJEE CCCCCCCc1ccsc1CNCCC 703124022 LFJIYVWWRHEYFS-UHFFFAOYSA-N 253.455 4.761 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@@H](C)N)cc2Cl)C1 703690262 MOZKPFCFLWJFDH-KGLIPLIRSA-N 292.854 4.542 30 10 CJEE CC(C)CCCCC[C@]1(C#N)OCCc2ccccc21 710272641 BFJBLBNMBPRGAW-GOSISDBHSA-N 271.404 4.585 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712571169 VFECBYBNSNBLJK-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1ccc(SC(F)(F)F)cc1 715028986 MTTRJNMQUKSYEP-JOYOIKCWSA-N 276.323 4.544 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1ccccc1C#N 720944866 QTSJKFZSRKMQMP-MRXNPFEDSA-N 256.393 4.719 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@H]2CCN[C@H]1C2 721829606 BNBYGAIZIBPWFY-ULQDDVLXSA-N 269.448 4.997 30 10 CJEE C=CCCCCC[C@@H](C)NCC(C)(C)C(F)(F)F 793565420 KNRMQSHLVBNVGJ-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=C(C)c1cccc(NC(=O)C2CCC(C3CC3)CC2)c1 1134629270 IKDCOXABRGUSNS-UHFFFAOYSA-N 283.415 4.875 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C(\C)C1CC1)c1ccccc1 1176187252 APJKPPITMPUXDN-JJJPLKNQSA-N 283.415 4.557 30 10 CJEE C=C(CC)COc1ccc(Cl)c(C(F)(F)F)c1 1188342885 YUNCOOQTUXZGFR-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CC[C@H](C)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 1194497773 QUCVCQZFCHWEKL-AWEZNQCLSA-N 295.829 4.651 30 10 CJEE C#Cc1cccc(N[C@H]2CC[C@](C)(c3ccccc3)C2)c1 1205277626 RVIKTEKIAYQTOC-PMACEKPBSA-N 275.395 4.590 30 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KLKXLEAAQWBJPK-HKUYNNGSSA-N 293.495 4.650 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)CCCC1 1514864109 KAZUASYMSBAECJ-AEFFLSMTSA-N 297.442 4.528 30 10 CJEE C=CC1(CC(=O)NCC(C)(C)C(C)(C)C)CCCCC1 1526756822 JGFCLSCWUBQCCL-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C[C@@H](CC(=O)N(C)c1cccc(CC)c1)c1ccccc1 1528153421 QXAGJNCJTWVGDB-KRWDZBQOSA-N 293.410 4.572 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C)c1ccccc1 1530647462 BETWSSAKWNYUHS-LMMKCTJWSA-N 299.458 4.774 30 10 CJEE C=CC[C@H]1CCN(C(=O)[C@H](C)CCCCCCCC)C1 1533761715 AUXKUZKGJOMZFK-SJORKVTESA-N 279.468 4.798 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CC)CC1 1584863701 LCTGHBVNTMGAHS-WDSOQIARSA-N 299.458 4.506 30 10 CJEE CSc1ccc(C#Cc2ccc(Cl)cc2F)cc1 1614825256 SRSGKLWZAHASEJ-UHFFFAOYSA-N 276.763 4.601 30 10 CJEE Fc1ccccc1C#Cc1cc(Cl)ccc1Cl 1614901774 UBKZEVDMOHLTRQ-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H](C)CC(C)C 1617694209 PQXRVVIZDHACKS-QGZVFWFLSA-N 259.437 4.747 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)CCCCC1 1634579773 OENYZYHLTGXMGB-WMZOPIPTSA-N 297.442 4.733 30 10 CJEE C#Cc1cccc(N(C)Cc2cccc(Cl)c2Cl)c1 1641718156 NWEOHXQZIPNFQD-UHFFFAOYSA-N 290.193 4.611 30 10 CJEE C=CCCCN[C@@H](CCc1ccccc1)c1ccccc1 1645070927 ZKXWUBWZUMLGBO-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE C=C(CC(C)C)C(=O)N1CC=C(c2cccc(C)c2C)CC1 1648565141 JCQKQVOJKDEADJ-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE C=CCSc1nc2ccccc2n1-c1ccc(C)cc1C 1651775206 XLVJVJPUWJHBEJ-UHFFFAOYSA-N 294.423 4.920 30 10 CJEE C=CCN(Cc1ccc2oc3ccccc3c2c1)C(C)C 1651814025 IKIFAMFFYJXMGH-UHFFFAOYSA-N 279.383 4.982 30 10 CJEE C#Cc1cccc(N(C)Cc2ccc(C(C)(C)CC)cc2)c1 1653326457 XRYRJSJVZAWXQX-UHFFFAOYSA-N 291.438 4.992 30 10 CJEE C=CCC[C@H]1CCCN1CC[C@@H]1CCc2ccccc21 1654999543 ZVBIOVGOEZDTSP-ROUUACIJSA-N 269.432 4.537 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1655141270 KVECHIQXCTUPFF-VZOYXLRWSA-N 261.453 4.632 30 10 CJEE C=CCOc1ccccc1CNC[C@@H]1CCC[C@H](CC)C1 1657230986 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286.806 4.505 30 10 CJEE CCCCCCCCN1C[C@H]2CCCC(F)(F)[C@@H]2C1 1883320968 XYRDPUPBYFSUDN-HUUCEWRRSA-N 273.411 4.714 30 10 CJEE C=CCCCCCN1CCC(CC)(CC)CCC1=O 1884241807 SWEWYZAJXULDEI-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE CCCCCCCCN(C)c1ccc(CN)c(Cl)c1 1887151461 CJJJVMQMYRNTRW-UHFFFAOYSA-N 282.859 4.595 30 10 CJEE C=CCCCC[C@H](NCCC)c1c(C)cccc1F 1887323085 YIMCMIZXOOVOAZ-INIZCTEOSA-N 263.400 4.921 30 10 CJEE Cc1ccc([C@@H](C)N=C2N[C@@H](CC(C)(C)C)CS2)s1 1912014576 WVGJRQIXQRQIDV-NEPJUHHUSA-N 296.505 4.615 30 10 CJEE CCCCCCCCCC[C@H](O)C(F)(F)C1CC1 1912505948 JAGUHWSHNAKZMV-AWEZNQCLSA-N 262.384 4.923 30 10 CJEE C[C@@](O)(CC#CC1CCCCC1)c1csc(Cl)c1 1919980882 KEGSIKWZRMDMAT-OAHLLOKOSA-N 282.836 4.583 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)CC1(C)CCCCC1 1920377528 UHXKNDDOHMKKSX-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE CC[C@@H]1CCC[C@@](O)([C@@]2(C#N)CCCC23CCC3)CC1 1921307733 ZJJLWBJQPUYXHG-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE C=C([C@@](C)(O)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922964363 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C=CCCC[C@H](Cc1ccc(Cl)cc1C)NCC 2052915619 BKNFCGQCRZRGFC-MRXNPFEDSA-N 265.828 4.525 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@@H](CN)C12CCC2 2053036386 JEIYKAGKIMNDLP-GOEBONIOSA-N 255.421 4.594 30 10 CJEE C=CCCCC[C@@H](O)c1cc2c(s1)CCCCC2 2059158857 BZZSODQHPDTYJE-CQSZACIVSA-N 264.434 4.797 30 10 CJEE FC(F)Oc1cc(S)cc(C(F)F)c1C(F)(F)F 2060209727 NVDVSCVQMFSFJO-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H](C)CC(F)(F)F)CC1 2061175022 VWHLAWLVMBPMQR-WDEREUQCSA-N 262.315 4.527 30 10 CJEE CCC(C)(C)CN(C)CC1(CS)CCCCCC1 2061968272 JDOGPMLSFPNHDM-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C=C(C)C[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2065215124 ZTUPVAMDCXGRAO-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CC1(C)CC=C(C(=O)C(F)(F)C2CCCC2)CC1 2065523592 NIMPUXIOPLDDIU-UHFFFAOYSA-N 256.336 4.518 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1C[C@@H]1CC)NCCC 2071510958 LMNGYQNGLBBROH-YESZJQIVSA-N 251.458 4.927 30 10 CJEE CCCCCCCCN(C)[C@H]1C[C@@H]2CCC[C@@H]2C1 2074908633 KYWHPCRQPNURNH-BJWYYQGGSA-N 251.458 4.857 30 10 CJEE CC#CCCCCNc1ccc(SC(F)F)cc1 2075360496 OOOFLTOSRFNSTI-UHFFFAOYSA-N 269.360 4.607 30 10 CJEE Cc1ccc(C(=O)C2=CC[C@H](C)CC2)c(Cl)c1F 2082029434 OYDFMRQWNWNRKO-VIFPVBQESA-N 266.743 4.717 30 10 CJEE C=CCCCCC[C@H](CC[C@H](C)CCCC)NN 2085943321 JETHKHSSVAFDHG-HZPDHXFCSA-N 254.462 4.561 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1C[C@@H]1CF 2086283628 YQHIIVHBUBWKKB-PMPSAXMXSA-N 256.405 4.650 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](CS)C1CCC1 2089759039 XIUOUKHUDDMDJE-XLNGHYISSA-N 284.509 4.810 30 10 CJEE CCCCCCCC[C@H](O)c1cccc2c1CCC2 2090237415 ACAVUPYKMKEPGU-SFHVURJKSA-N 260.421 4.959 30 10 CJEE C#CCCCCC[C@@H](NCC)C(C)(C)C1CCCC1 2093214982 LXBPSBYJNJNGAP-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@H](O)c1cc2ccccc2cn1 2095003687 BTKIXCOQOLFIJX-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CC[C@@H]2CCCC[C@@H]21 2095354039 XLRILEPYLKWZHV-VBNZEHGJSA-N 274.795 4.614 30 10 CJEE C=C([C@H](NCC)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)C(C)(C)C 2096633101 PMPXGIDMGUQBEB-JONQDZQNSA-N 263.469 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CRWMLSFHMYBRRC-QAPCUYQASA-N 258.405 4.593 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccccc1Cl)C(=O)O 2271792072 OYAKLNBZVNTIEE-CQSZACIVSA-N 280.795 4.720 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274000768 RFQWOBOTVORQPU-INIZCTEOSA-N 296.241 4.838 30 10 CJEE CCCCCCCN(C)CC1(CSC)CC(F)(F)C1 2274085005 MUAFHRFZEFYZTI-UHFFFAOYSA-N 293.467 4.667 30 10 CJEE C=C(C)CCCCC(OCCCN)(C(C)C)C(C)C 2276158714 LSFPNJHMTABRES-UHFFFAOYSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H](C)C1CCC1 2276777092 BGCKAZWCLFQLCQ-WBVHZDCISA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CO[C@H](C)C1 2278231982 AVNNTDDXVLHTAU-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@@]2(C=O)CCc3ccccc32)C1 2279887881 ZMJBYUALUMFGOZ-GJYPPUQNSA-N 270.416 4.676 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CCCC[C@H]1C[C@@H]1C 2280455481 LGKPWMQOJBWRSI-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE C=C1CCC(N[C@@H](CCC)c2ccc(OC)cc2)CC1 2283565623 GHLIFAYEADGMEO-SFHVURJKSA-N 273.420 4.625 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1COC2(CCC2)C1 2284818402 FAIGOFHDCUQWBD-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCC#CC[C@H](NCC)c1csc(C)c1OC 2287256209 FLZKMRWDBQPYAF-INIZCTEOSA-N 293.476 4.690 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1scc(C)c1C 2287389178 BAZDFEXUSGCKFC-HOTGVXAUSA-N 295.492 4.513 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CC(C)(C)OC1(C)C 2287409120 QJSOBMPWLJRBPM-CVEARBPZSA-N 281.484 4.695 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cccc(C)c1Cl 2289682572 VICUYJCDNBZKPI-KRWDZBQOSA-N 289.850 4.883 30 10 CJEE CCN[C@H](CC#CC1CCCC1)CC1CC2(CCC2)C1 2289881692 MKUKEDLKEYPTQM-GOSISDBHSA-N 273.464 4.519 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1cccc(C(C)(C)C)c1 2290195540 WWKCYMWCIZWHAN-IBGZPJMESA-N 273.464 4.717 30 10 CJEE C=C1C[C@H]1C[C@H](CCCCCCCCC)OCC(=O)O 2291034726 UZUPTELLZFOAJO-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](C[C@H]1C=CCCC1)OCC(=O)O 2291099030 FFJOUNXJZPASNZ-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@H](CCC)OCCC(=O)O 2291262276 SBSFNICKMZMIFK-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@]1(OCCN)C[C@@H](C)CC[C@@H]1C 2292806018 QNKCLTGTVJNSJJ-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](C[C@]1(C)C[C@H]1C)OCCN 2292846730 KYYAZIZXRBMPNG-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@](OCCCN)(c1cccs1)C(C)C 2293348352 MKQJWLIXBOKWOY-KRWDZBQOSA-N 295.492 4.567 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C(C)(C)C 2293367522 DQNKTTAVIWXFBO-BBWFWOEESA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1C(C)C 2293465682 FJZGHGTUVDGBEX-SQNIBIBYSA-N 283.500 4.763 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCCN)CCC[C@H](C(C)(C)C)C1 2293518112 CXSCNMAEUMLDKZ-XYJFISCASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CC(F)F)OCCN 2293600971 SBKOEFDFCSFXRS-CABCVRRESA-N 293.442 4.762 30 10 CJEE C=CCCC1(OCCN)CCC2(CCCCCC2)CC1 2293705503 KMUZUMGKYJHXSZ-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C1CCC(C[C@@H](CCCCCCC)OCCN)CC1 2294090915 BPUYVSJFARVKET-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C1CCC(C[C@](CC)(CCCC)OCCCN)CC1 2294095988 NCSPOOAZXWUSIR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](CC1(C)CC(C)C1)OCCN 2294162056 ZOWASADXIFPCSX-LXPRWKDFSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C=CCCC1 2294452707 MGLFHVPNTRVPPJ-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE N#C[C@@]1(c2ccc3ccc(Cl)cc3n2)CCCC12CC2 2294982592 WVHGGLUHMCXTRD-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)C1CCC(N)CC1 2295521213 ZGEDFYCHMRNYBS-WWDZGPRUSA-N 282.516 4.717 30 10 CJEE CC#CCCCC(=O)[C@](C)(O)CCCCCCCCC 2295604385 WOOAMEGKYZZNGH-GOSISDBHSA-N 280.452 4.641 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)C1=CCCCC1 2295678820 JYYLOXNLPMBRSO-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](NC)CCN1CCC 2295679238 NTQZZECQCDBLEM-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2302213949 ZJLHILFVTSFZGK-AMIZOPFISA-N 276.182 4.605 30 10 CJEE CCC[C@H](CC)COc1c(Br)cccc1C#N 2307751179 CVJFGFNPSRANNB-NSHDSACASA-N 296.208 4.526 30 10 CJEE C=CCC(CC=C)Sc1csc(CNCCC)c1 2313697617 FRKCFDUDWPUQTF-UHFFFAOYSA-N 281.490 4.861 30 10 CJEE C[C@H]1CC[C@H](CSc2nccc(C#N)c2Cl)CC1 2313830991 CEQJFNZDCCBEAL-XYPYZODXSA-N 280.824 4.525 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2CC[C@H](C2)C1 2314549706 PYZBUUNEJZFWIL-FVQHAEBGSA-N 251.458 4.857 30 10 CJEE C#CCCCCCCNc1c(N)ccc(Cl)c1Cl 2316832089 FXPGNJNWSKBGMP-UHFFFAOYSA-N 285.218 4.571 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)cc1F 2321103359 YVRVSZFSHOXMGM-BONVTDFDSA-N 269.791 4.650 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CCC(CCC)CC1)NC 2321115353 DZBRARXPUBLWDX-VXLLPVPCSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(C)ccc(Cl)c1F 2321134023 KZQIEMGWRIQXGY-IAQYHMDHSA-N 269.791 4.650 30 10 CJEE CCCCCCCCC[C@@]1(F)CN[C@H](C(C)C)C1 2321523083 YEEBOYGFJMYMGR-HOTGVXAUSA-N 257.437 4.853 30 10 CJEE CCc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 2322974691 QBGBQQSVEJWHGC-UHFFFAOYSA-N 272.779 4.657 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@H]1CC12CCCC2 2327109169 IJVLEUOTWYOJKT-HIFRSBDPSA-N 270.482 4.566 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@@H]2C[C@H]1C[C@H]2N 2329578815 HYCDONASJRMUME-NXOAAHMSSA-N 269.448 4.983 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2329749324 NPWXAONGDMWPEU-ARILJUKYSA-N 267.363 4.778 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)[C@@H]1CCC1(C)C 2335099430 WICFJDOXZKIARX-HOTGVXAUSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H](C)CC(F)(F)F 2338732441 JFFXNECXLDQYCS-GXTWGEPZSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc2c1CCCC2 2338733347 RKGJUIVOUAMMRW-UHFFFAOYSA-N 254.373 4.517 30 10 CJEE C#CCCCCCCNCC1CC(CC(C)(C)C)C1 2338809321 CVLMWYACQKTAIQ-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339279397 JBDGIBVSHNIRJK-ANQUJSFKSA-N 258.405 4.684 30 10 CJEE C=C[C@H](C1CC1)N(C)CCCc1cc(Cl)cc(Cl)c1 2341136073 FQLCXGIQKRWFTQ-MRXNPFEDSA-N 298.257 4.822 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC2(C1)CC(C)(C)C2)NC 2344345441 WMFLMJROCDZTGQ-HNNXBMFYSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(C)ccc1C 2344372082 PHWQIVIFWRDGAQ-KRWDZBQOSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cccc(Cl)c1C(F)(F)F 2344463251 DSBSYMMEUQQECE-LBPRGKRZSA-N 292.728 4.995 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1nc(C)c(C(C)(C)C)s1 2344470470 ZMDKEINXNOLMQA-BLLLJJGKSA-N 281.465 4.775 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC[C@@H](C(C)(C)C)C1 2352010255 XZNCFMNPMZUKKG-CJNGLKHVSA-N 284.465 4.746 30 10 CJEE CSc1cc(NC2(C)CCCCCC2)ccc1C#N 2353826282 GBAFUSRJRGFRCL-UHFFFAOYSA-N 274.433 4.805 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354891073 QTYIYWUTYDSKJG-NUTKFTJISA-N 288.822 4.982 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H](COC)C1 2355997290 OEMXOAALMAGABQ-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358286703 SFRPRXQYBKTPET-XUWVNRHRSA-N 285.422 4.782 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccc(C#N)cc1F 2360305957 HXKTYEARSZDYCY-UHFFFAOYSA-N 277.383 4.675 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@@H](C)CC1CC1 2360339699 LBOSSUXCKTVBPZ-RYQLBKOJSA-N 283.500 4.512 30 10 CJEE Cc1ccc(F)c([C@H](N)CC=CC#CC(C)(C)C)c1Cl 2360709897 GCPLMQRCCUXHHZ-CQSZACIVSA-N 293.813 4.783 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)cc(F)c2C)cc1C 37089229 ROELHIHNTFWAJK-CQSZACIVSA-N 282.362 4.796 30 10 CJEE N#CCc1ccc(N[C@@H]2CCSc3c(F)cccc32)cc1 37301959 IDJSPTZXWFUWOQ-MRXNPFEDSA-N 298.386 4.541 30 10 CJEE N#CC[C@@H](Nc1cccc2c1CCCC2)c1ccccc1 55015128 YYAXGYXTQWZUQK-GOSISDBHSA-N 276.383 4.632 30 10 CJEE Cc1cc(Cl)ccc1OCC1(C#N)CCCCC1 57551142 XNPDHQVKEPULCR-UHFFFAOYSA-N 263.768 4.501 30 10 CJEE N#C[C@@H](CCOc1cccc(Cl)c1)c1cccc(F)c1 57688873 HEIAALJICPBUST-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCCCCCCCCN(CCCN)c1ccccc1F 59094115 MFSZMXYTLCGIFL-UHFFFAOYSA-N 294.458 4.732 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1cc(C)ccc1OC 59211535 RWVFGZSTKUWAOA-MRXNPFEDSA-N 287.403 4.540 30 10 CJEE CCCc1oc(-c2ccc3c(c2)CCCC3)cc1C#N 77080887 DSACKSPGRXNRKO-UHFFFAOYSA-N 265.356 4.650 30 10 CJEE COc1cccc(-c2nc(C(C)(C)C)c(CS)s2)c1 82440454 PHPMBERZKGOXKU-UHFFFAOYSA-N 293.457 4.546 30 10 CJEE CC(C)(C)Oc1ccccc1CNc1ccc(CC#N)cc1 82712490 FKFRVYJZANZJDB-UHFFFAOYSA-N 294.398 4.542 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccc3c(c2)CCC3)CC1 87940107 AWBBRIPIJNQKII-UHFFFAOYSA-N 267.416 4.828 30 10 CJEE N#C[C@]1(CCCc2ccccc2)CCc2ccccc2C1 87998350 GEICQSVHYHTLCP-HXUWFJFHSA-N 275.395 4.708 30 10 CJEE CCCC[C@@H](CC)COc1c(C)cc(C#N)cc1C 88154460 WPCSVDQTUYLAAT-OAHLLOKOSA-N 259.393 4.770 30 10 CJEE CCC(CC)N(CC(C)C)CC1(CS)CCCC1 94582114 QYGVTBPSNHHRKT-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE CCCOc1ccc(OCC(CC)(CC)CS)cc1 94584232 IQMWGZPSLMCLHE-UHFFFAOYSA-N 282.449 4.590 30 10 CJEE N#Cc1cc(/C=C\c2ccccc2)c(N=[N+]=[N-])cc1C#N 97620296 PEAMWAMVIAHZKX-SREVYHEPSA-N 271.283 4.542 30 10 CJEE CCCCCCCCCCCNC(=O)/C=C\c1ccco1 102252676 IHOYDORCTMAJAY-YPKPFQOOSA-N 291.435 4.940 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1c(C)cccc1C(C)C 104974810 PZBCEGLAUHDLBS-UHFFFAOYSA-N 274.408 4.548 30 10 CJEE C=CC[C@@H](C)c1cc(C(F)(F)F)ccc1OCC 107475078 BDECUVGYUALSCR-SNVBAGLBSA-N 258.283 4.784 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(Cl)c(OC)c(Cl)c1 107536921 LOBIFOKVOWPADP-ZJUUUORDSA-N 271.187 4.765 30 10 CJEE C#CC[C@H](C)c1cc(Cl)cc(Cl)c1OCCC 107656890 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CCCCCCCCCC[C@@H](N)CC[C@@H](C)OC 143460201 KMBOTSPFQKRGMN-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE C=C(C)CC[C@H](NCC)c1sccc1Br 156927952 RCWJCUVEPVYDBE-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCCCCCCCCNCc1cccc(C)c1O 165046723 MSCHOKRQVLHUDD-UHFFFAOYSA-N 277.452 4.931 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](OC)c1ccccc1 167746022 DPIDHBMDJBFWGG-QZTJIDSGSA-N 277.452 4.713 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)cc(Br)c1 167788174 QILHHTXULANRDO-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnccc1C 168123577 VEACWKBKLIQUQI-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C=CCCCCCSCc1csc([C@@H]2CCCO2)n1 192543433 ZXIAQYDPQAPVOW-AWEZNQCLSA-N 297.489 4.974 30 10 CJEE Cc1cccc(N[C@@]2(C#N)C[C@@H](C)CC[C@H]2C(C)C)c1 218576679 ROEQRPHKFFVJQE-RYQLBKOJSA-N 270.420 4.762 30 10 CJEE C=CC[C@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)(C)C 227532642 RGXAPTLLDUAJAT-PMPSAXMXSA-N 251.458 4.639 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(F)c1Cl 229754799 LOHJQJOTKHCXPR-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(C)c(F)c1F 231744866 KAQMHSIKPXQDGZ-CYBMUJFWSA-N 255.352 4.634 30 10 CJEE CC[C@H](C)c1ccc(OC[C@@H](CS)C(C)C)cc1 232360724 WYQUKKYZWCPNKB-ZFWWWQNUSA-N 266.450 4.781 30 10 CJEE CCCCCCCCC(=O)C(F)(F)C(F)(F)F 232907674 KVCHOAQLOZNXGT-UHFFFAOYSA-N 260.246 4.504 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H](CC)c1ccccc1 233904462 PVEYCIRGOIVDDW-QZTJIDSGSA-N 259.437 4.905 30 10 CJEE CC[C@H](C)[C@H](C)Nc1ccc(C#N)c2ccccc12 234001769 RDECYZMORMSZET-STQMWFEESA-N 252.361 4.558 30 10 CJEE C=CCCCCC[C@H](N)c1cc(Cl)ccc1C 235781738 BYECXRZIPIOWRO-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Br)cc1 236315765 QWUGUSNPTXOONY-CQSZACIVSA-N 282.225 4.585 30 10 CJEE O=C(C=C1CCCCC1)Cc1cccc2ccccc12 236398879 WFBJOFOUGOKXGU-UHFFFAOYSA-N 264.368 4.842 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CC[C@H]1O2 250838080 WGVOFFVAFGKKPY-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CCC[C@@H]1CCCN([C@@H]2C[C@@H](CC)CC[C@H]2C#N)CC1 251374630 QXOUDLOGZAQQTM-XWTMOSNGSA-N 276.468 4.607 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](OC[C@H](CS)c2ccccc2)C1 252177492 SHIHRPZKVAAJCE-WTTBNOFXSA-N 278.461 4.541 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)CC1 307922909 IIORHJAYMSSNNP-ZFWWWQNUSA-N 274.383 4.858 30 10 CJEE C[C@H](CCS)CCSc1ccc2ccccc2n1 310695643 PGTQHSIWFSWTGJ-GFCCVEGCSA-N 277.458 4.673 30 10 CJEE CCCCCCCCSC1(CO)CCCCC1 312978971 ONXGYRDEWLQMIT-UHFFFAOYSA-N 258.471 4.775 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1CC[C@H](CC)CC1 328368578 VNUIRVSXHIAJBE-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCC(=O)c1ccc2c(n1)CCC2 380506866 FIOOELPDXRNETN-UHFFFAOYSA-N 273.420 4.894 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCC2CCCCC2)C1=O 381724539 KLCUEHMDHSZYHL-KRWDZBQOSA-N 261.409 4.636 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccsn1 382532331 ZDMQMFCORTTYNH-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)cc1[N+](=O)[O-] 385020515 OLCCDYGRMMXNGT-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(Cl)nc2sc(C)cc12 398270714 FFCNVHUSFJHDGT-SECBINFHSA-N 295.839 4.810 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCCCCCCC[C@H]1O 402435787 LPDMGGMAZQXWPW-SJORKVTESA-N 282.468 4.859 30 10 CJEE C=C(C)CCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCCC 403460137 ZUGVDYXLYXJYLJ-YESZJQIVSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@H](C)O[C@H]1C 686448820 LMTXBGBAHNUXIE-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CCCCCC1 686681237 LRKKRHZAHDFEOB-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C#CCCCCC[C@H](NC)c1cccc(C(C)(C)C)c1 686689011 DMAZQKMKUZYTAF-SFHVURJKSA-N 271.448 4.828 30 10 CJEE C#CCCCCC[C@@H]1CC(C)(C)CC[C@H]1CNC1CC1 686694748 DJEAABLHVDKQAA-SJORKVTESA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@@]1(CNCC)CCC[C@@H](CC)C1 686695274 VSSROQPDAICOLJ-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE C[C@H]1CCC[C@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688340751 ZYAWONCMINZEJO-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 692253229 QEFKKGYVAYKRDJ-AAEUAGOBSA-N 294.782 4.795 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(F)(F)C(F)(F)F 692556947 ZTJQCNWMBFFBKP-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693355652 YKPHLDFFRUFDFP-LXTVHRRPSA-N 273.411 4.616 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2cscc2s1 694425817 LPCIRNQTQXFWIQ-ZDUSSCGKSA-N 277.458 4.807 30 10 CJEE CCCCCCCCC[C@H](O)CCc1ccc(N)cc1 695925771 PHYYOQZQSMNADS-SFHVURJKSA-N 277.452 4.703 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 695961801 RMQLLGGSJPZMIZ-ZDUSSCGKSA-N 290.234 4.970 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc(CCCC)cc1 696087198 VTZYZVOZQIYNQK-INIZCTEOSA-N 291.504 4.989 30 10 CJEE CCCCCCCCCCOC[C@@H](C)[C@@H]1CCCCN1 697207744 NYHQFCIASVRVMZ-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H]2CCCC[C@]2(C)O)C1 699325082 UXUDMYFQKOGLSI-YOEHRIQHSA-N 277.452 4.674 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(OC(C)C)cc1 701921334 UQBOWCNUJGXLEX-HNNXBMFYSA-N 275.436 4.727 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)c1ccc(OC)cc1 703996980 ZGFBXQMCUYTVJF-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cc(C)c(C)cc21 706406551 KLDGESWWTPZAOZ-UHFFFAOYSA-N 274.433 4.544 30 10 CJEE CCC(CC)(CS)CN1CCC(C2CCCC2)CC1 708822824 PTXDMLLOHNNHIQ-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCCC(F)(F)F 709358017 XAAQUKSQBSLRIY-MCIONIFRSA-N 277.374 4.832 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(OCCCC)cc1 710695789 IPYWBVPQOGZKNA-MRXNPFEDSA-N 281.827 4.659 30 10 CJEE N#Cc1ccc(N[C@H](C2CCCC2)C2CCC2)c(Cl)c1 711835778 QTRPQMNDJPOSTM-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE CCCC(C)(C)/N=C1/NC2(CCCCCCC2)CS1 713284878 KDDOWPKBFMKULL-UHFFFAOYSA-N 282.497 4.741 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C(CC)(CC)c1ccccc1 715749214 MLCIEJUYIORILV-WMZOPIPTSA-N 273.464 4.935 30 10 CJEE C=CC[C@H](C)C1(CNC(C)C)CCC(CC)CC1 715827221 GHYGUUYCXHHUGN-GTPINHCMSA-N 251.458 4.783 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@H](CC)C[C@@H](C)S1 716899969 LFYKHDHWMHFTEQ-ZIAGYGMSSA-N 284.513 4.843 30 10 CJEE N#Cc1cc(F)cc(N[C@@H]2CCc3sc(Cl)cc32)c1 718619756 SVBIODVTQAJBDX-GFCCVEGCSA-N 292.766 4.512 30 10 CJEE C=C1CCC(CC(=O)c2ccc(C)cc2Cl)CC1 724595003 KRSPEOBYWJWSNC-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE Clc1cccc(N=C2N[C@@H](C3CCCC3)CCS2)c1 725075792 ZPBDAQFFQIHGQK-CQSZACIVSA-N 294.851 4.613 30 10 CJEE C=C(C)CO/N=C(\CC)c1ccc(C(C)(C)C)cc1 821220723 NVIVZBUTJNPMMA-FBMGVBCBSA-N 259.393 4.691 30 10 CJEE CCOc1ccc(-c2csc(N=Cc3ccco3)n2)cc1 1084506032 YLMOHFLUUYAHRA-UHFFFAOYSA-N 298.367 4.552 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)CCSCC)CCCCC1 1126511300 OTQAMMQGNGYCMD-HNNXBMFYSA-N 297.508 4.503 30 10 CJEE C=C[C@@H](CC)CC(=O)NC1CCC2(CCCCC2)CC1 1128014297 RQQNCTZQASTJLA-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@H](C(C)C)CC2)C1 1205480851 MQTKBOOUSCNMQF-XDNAFOTISA-N 263.469 4.926 30 10 CJEE CC(C)(C)CN(CCC#N)C(=O)CCC1CCCCCC1 1264999663 BFGYOGREVMXOHR-UHFFFAOYSA-N 292.467 4.525 30 10 CJEE C=CCCCCCN[C@@H]1CCC[C@H]1CCC(C)C 1307691153 QJMRJNFGXRYHCM-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=C(C)c1cccc(NCc2ccc3c(c2)CCC3)c1 1308544208 PRNNVPHDWIGJQY-UHFFFAOYSA-N 263.384 4.821 30 10 CJEE C=CCC1(NCc2cc3c(O)cccc3s2)CCCC1 1308866066 SDBRNWQALJRGSI-UHFFFAOYSA-N 287.428 4.585 30 10 CJEE C#CCCCCCC(=O)N(CCC)[C@H](CC)c1ccccc1 1350049410 UJGOICDRDDELMS-LJQANCHMSA-N 299.458 4.960 30 10 CJEE C=C1CCC(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)CC1 1360209324 PYYAWEACRNRDCU-MDZRGWNJSA-N 297.442 4.526 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](CC)[C@H]1CC1(C)C)c1ccccc1 1436879196 GHAPACPCIMCUTO-RCCFBDPRSA-N 299.458 4.677 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@](C)(CC)CCCCC 1460380888 YXUURZOMWYVCKO-QGZVFWFLSA-N 267.457 4.702 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@@H](c1ccccc1)C(C)C 1460391474 RWGMOLAJPRRVOT-QGZVFWFLSA-N 287.447 4.535 30 10 CJEE C=CCC[C@@H](C)N[C@@H](CC(F)(F)F)c1ccc(C)cc1 1462053641 PDIXFWMICFDQQW-HIFRSBDPSA-N 285.353 4.933 30 10 CJEE CCCCCCC[C@H](C)NCC1CCC(F)CC1 1462399331 HUKANVJMCNAPGE-FHERZECASA-N 257.437 4.853 30 10 CJEE C=CCC[C@H](CC)NCc1cc(Cl)cc(Cl)c1 1462429217 UZRPKLHZRJBWCX-AWEZNQCLSA-N 272.219 4.828 30 10 CJEE C=CCCCCNC(=O)Nc1ccccc1SC(C)C 1476286385 WZPRQYCETUQXFT-UHFFFAOYSA-N 292.448 4.665 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC[C@@H](C)[C@H]1C 1478752252 FYLLUWRDHQKAAI-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(F)c(C)c1 1527714430 SQYLJLYGAOISDO-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=CCCCCCN(C)C(=O)C1(c2ccccc2C)CCC1 1532191797 KGJLJUVNWBNRAA-UHFFFAOYSA-N 299.458 4.622 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cccc(C(C)(C)C)c1 1534158458 JMECGCFDSWINEX-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE C=CCCC[C@@H](C(=O)NC1C(C)(C)C1(C)C)c1ccccc1 1543611860 ORVIKMCAAZOKEH-MRXNPFEDSA-N 299.458 4.677 30 10 CJEE C=C(C)CCN(Cc1cccs1)C1Cc2ccccc2C1 1559833837 MURFCMXXLHRMSJ-UHFFFAOYSA-N 297.467 4.684 30 10 CJEE C=C(C)CCN1CCC[C@]1(CC)CCc1ccccc1 1560107145 XWFFHINTRHJAEP-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCCCCc2ccc(F)cc2)C1 1560446347 ILEXMEQDSXRJDH-IEBWSBKVSA-N 289.438 4.873 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)CCCCC1 1586331768 PBVONFQFLBJOIX-BBWFWOEESA-N 291.479 4.702 30 10 CJEE C=C[C@@H](OC(=O)C=C1CCC(C)CC1)c1ccccc1 1617547737 BGZUWJUTSCJPLR-FBMWCMRBSA-N 270.372 4.593 30 10 CJEE C=CC(C)(C)C(=O)NCC1(c2ccccc2C)CCCCC1 1626443733 KUGYDVLRCYFHCO-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccc(CCC)cc1)C(C)C 1644998793 BHVFYCHJNYKZGU-CRAIPNDOSA-N 259.437 4.890 30 10 CJEE C=CCCC1(CNCc2ccc(CC)s2)CCCC1 1651322370 PYBHMDDOGFFCPU-UHFFFAOYSA-N 277.477 4.927 30 10 CJEE C=CCC[C@H](CCC)Nc1cccc(N=S(C)(C)=O)c1 1653012593 NUEAHFMFRYIVRB-AWEZNQCLSA-N 294.464 4.593 30 10 CJEE CCC1(CC)CCC(Nc2cccc(CC#N)c2)CC1 1658128761 MHRLKMREGDZOAW-UHFFFAOYSA-N 270.420 4.914 30 10 CJEE C=CCCC(C)(C)CN[C@H](CCc1ccccc1)C(F)F 1659809161 ZDGSVZLHQYPMAV-MRXNPFEDSA-N 295.417 4.835 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccccc2OCC(C)C)C1 1660234931 WPMHZTHYYIAORG-KRWDZBQOSA-N 287.447 4.510 30 10 CJEE N#Cc1cc(Cl)cc(-c2cccc(C(F)(F)F)c2)c1 1848368452 QIMLNBMWSFYKTB-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE N#CCc1cncc(-c2ccc(Cl)c(Cl)c2Cl)c1 1848373281 UJPFVPLEKSVLBC-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCCN(C)[C@@H](C)[C@@H]1CCCCO1 1883430200 QRYFZFQRLWUTQY-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE CC#CCCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@H]21 1885239113 ZFLSQLULPBHQJE-TVFCKZIOSA-N 261.453 4.504 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H](C)COCc1ccccc1 1892646136 TVNQOHAYXMPEHL-WDSOQIARSA-N 289.463 4.549 30 10 CJEE Cc1cccc(SC[C@@H](CS)CC(C)C)c1 1905529658 PKMNEVOHFZJOJQ-CYBMUJFWSA-N 254.464 4.679 30 10 CJEE CC1(C)CCC[C@](C=O)([C@H]2C[C@@]2(C)C(F)(F)F)CC1 1909515483 LQROPLTYORAMOB-YUTCNCBUSA-N 276.342 4.751 30 10 CJEE CC(C)(C)[C@@H]1CCCC(=N[S@@](=O)C(C)(C)C)CC1 1912011404 KDHRNKGKOARQKD-XIKOKIGWSA-N 271.470 4.516 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1cccc(SC(F)(F)F)c1 1912927752 XXJAMGNSFDQMKG-JOYOIKCWSA-N 276.323 4.544 30 10 CJEE Cc1c(Cl)cccc1C[C@@]1(C=O)CCCC1(C)C 1913064953 MLVAHRVPSGVOKZ-MRXNPFEDSA-N 264.796 4.586 30 10 CJEE Cc1c(Cl)cccc1C[C@@]1(C#N)CCC[C@@H](C)C1 1913192044 LATFYTFZVRNQMV-MLGOLLRUSA-N 261.796 4.911 30 10 CJEE C=C([C@H](NCCC)c1cc(Cl)ccc1F)[Si](C)(C)C 1922972940 DUZZMKGAXHAIDL-HNNXBMFYSA-N 299.893 4.953 30 10 CJEE CCCCCCCCCC(=O)C(F)(F)Br 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CCC[C@@](C=O)(CC)CN(C)CCCCCCC1CC1 2287676201 XWSCMZRPOSNVGE-SFHVURJKSA-N 281.484 4.674 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(F)ccc1Cl 2289673160 YTSFMGBYECKUFV-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1c(F)cccc1Cl 2289680725 HQUJGQGXJDLFRW-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1CCC(CC)CC1 2289704731 MWVNDQKLKOEGJC-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1ccccc1C(C)C 2289789971 ZCECBAZIHKJTPI-IBGZPJMESA-N 269.432 4.654 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1sc(C)cc1C 2289862853 DENJQKHKMBJZBW-QGZVFWFLSA-N 289.488 4.989 30 10 CJEE C[C@@H]1CCC[C@@]1(CC#CC1CCCC1)CNC(C)(C)C 2289898599 GBSFYAPPYWMNMB-VQIMIIECSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC(C)(C)[C@](O)(C2(C#N)CCCCCC2)C1 2290267342 LLPXMEFPDFEGGB-SFHVURJKSA-N 277.452 4.818 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1[C@H](N)C(C)(C)CCC1(C)C 2290326348 QSLQQIKJTXRUIE-CVEARBPZSA-N 275.480 4.772 30 10 CJEE C=CCCCC[C@@]1(OCCC(=O)O)CCC[C@H]1CCC 2291485757 TZIIOLUYKHYHTI-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@@]1(OCCC(=O)O)CCCC(C)(C)CC1 2291771355 MWTGWGUVFBZDQG-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@@H](OCCCN)C1CCC(C(C)C)CC1 2292726008 GYXDLHYLHLAJLU-DAWZGUTISA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCCC12CCC2 2292900652 WWBVHJQUTZICOM-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)C1CC1)OCCCN 2292916229 OHHNBOGQYKUBHB-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCN)[C@@H]1CCCC(C)(C)C1 2293362848 UFSKMWPMTSSBGM-CRAIPNDOSA-N 281.484 4.539 30 10 CJEE CCOc1ccc(C=CC(=O)c2cc3ccccc3o2)cc1 2293385585 ISTHWULQTNYKKY-UHFFFAOYSA-N 292.334 4.728 30 10 CJEE CCCCCCC[C@](CCC)(OCCN)[C@H]1CC1(C)C 2293656721 BSZQUPXHUJFOKZ-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(C(F)F)o1 2293662641 DCUPRLAEJQCBBE-LBPRGKRZSA-N 289.366 4.594 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1=CC[C@@H](C)CC1 2294401603 BLNHBASEMSGHHK-SJLPKXTDSA-N 281.484 4.827 30 10 CJEE CC(C)(C1CCCCC1)[C@@H](O)C#Cc1ccccc1Cl 2295223812 GYISSNJIYDJUEE-KRWDZBQOSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)n1cc(CNC)c(C)n1 2295537402 YWYGUSBNJFYUEL-OAHLLOKOSA-N 279.472 4.613 30 10 CJEE C=CC[C@H](C)Sc1c([C@@H](C)O)ccc(Cl)c1F 2298906489 ZLQVQFPTIDMJJA-DTWKUNHWSA-N 274.788 4.589 30 10 CJEE CC(C)(C)[C@](C)(CS)CSCC1[C@@H]2CCC[C@@H]12 2307096988 JNBZDWXBZWJDEA-LALPHHSUSA-N 272.523 4.748 30 10 CJEE C=CCCC(C)(C)NCc1c(F)ccc(C)c1Cl 2313865606 KHFZSRHTPOTNRZ-UHFFFAOYSA-N 269.791 4.622 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@]1(C)CCCC1(F)F 2321144883 LHTBWWFFNSAATC-UONOGXRCSA-N 258.352 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc2ccsc2c1 2321235786 YUKXRXAWWVSILM-HOTGVXAUSA-N 260.402 4.927 30 10 CJEE CCC[C@H](C)CCNc1ccc(C#N)c(SC)c1 2328528139 NVWYFYHPXOBJBJ-LBPRGKRZSA-N 262.422 4.518 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1 2337105030 TVQSPYNWZBQUPS-OAGGEKHMSA-N 261.453 4.680 30 10 CJEE CCC[S@](=O)N=C(C1CCCCC1)C1CCCCC1 2338348120 PELFLSXWRFHZII-IBGZPJMESA-N 283.481 4.662 30 10 CJEE C#C[C@@H](NCC=C(C)CCCC(C)C)C1CCCC1 2338439423 FYFZHPYDQABXAV-GOSISDBHSA-N 261.453 4.541 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccccc1C1CCC1 2338725792 UYQNZJUIDUTKNB-SFHVURJKSA-N 256.389 4.756 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccc(C)cc1 2338748815 CTLASYCOICMPRL-SFHVURJKSA-N 257.421 4.804 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(C)CC(F)F 2338751032 YJMYHBKXXQPOPY-HNNXBMFYSA-N 273.411 4.804 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 2338794809 IBXAVLNJYHQOCX-FGTMMUONSA-N 261.453 4.519 30 10 CJEE Cc1c(C[C@@]2(C=O)CCC23CCC3)ccc(Cl)c1Cl 2338891807 SINSLVLZFHXOFR-MRXNPFEDSA-N 297.225 4.994 30 10 CJEE C=C[C@@](N)(CCCCC(F)(F)C(F)(F)F)C(C)(C)C 2342305769 FPKWFLLIGHKZSQ-LLVKDONJSA-N 287.316 4.674 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@H]1CCC[C@H](C(F)(F)F)C1 2344345174 VIEJHJZMSRNBRO-RWMBFGLXSA-N 277.374 4.675 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Cl)c(F)c1F 2344358745 WJUMLVRQSVSCKE-CABCVRRESA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@@H]1CC[C@H]1C1CC1)NCCC 2344369621 RUTUQWNBQQXQJR-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C/C=C/c1ccccc1)NCCC 2344379829 JPMGNPBOWJQNMU-GNOWRCIYSA-N 257.421 4.670 30 10 CJEE C=CC[C@@](C)(NC[C@@H]1C[C@H]1C1CCCCC1)C(F)(F)F 2357756470 IUJANPVVAXVMKS-SOUVJXGZSA-N 289.385 4.690 30 10 CJEE C=CCC(CC=C)NC1CCC(c2ccccc2)CC1 2360216095 CLDSEJWPEMUAFY-UHFFFAOYSA-N 269.432 4.823 30 10 CJEE Cc1ccc(F)c([C@@H](C#N)Nc2ccc(F)cc2)c1Cl 2360544009 ABWGIKCAAKWDEK-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE C(=N\Cc1ccccc1)\c1ccc(-c2ccccc2)cc1 2557064 MBJGFVKTDXQEPJ-PGMHBOJBSA-N 271.363 4.973 30 10 CJEE CCc1ccc(OCc2ccc(C#N)cc2)c(C(C)(C)C)c1 11834259 UZJNRURJSSLMGR-UHFFFAOYSA-N 293.410 4.997 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OCCC#N)cc1 20564591 QLKAKGAKGKFIDZ-UHFFFAOYSA-N 259.393 4.693 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147239 MYLBCGMEOFXIQL-YLFCFFPRSA-N 278.484 4.851 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1nc2ccccc2s1 37153994 HTHXGRQHYFQARJ-AAEUAGOBSA-N 288.441 4.861 30 10 CJEE Cc1cccc(/N=C2/N[C@@]3(CCC[C@@H](C)C3)CS2)c1C 53099495 IBKPJLBQQCSUEE-SJKOYZFVSA-N 288.460 4.576 30 10 CJEE C[C@@H](c1ccccc1)[C@@H](C#N)c1ccccc1Cl 57746127 ZXJRAAVBVBHVGX-SWLSCSKDSA-N 255.748 4.751 30 10 CJEE CCCCCCCOC[C@@H](N)c1ccc(CC(C)C)cc1 59083361 QWTRCRDZWOSFNP-LJQANCHMSA-N 291.479 4.872 30 10 CJEE N#Cc1cnc2ccc(F)cc2c1Nc1cccc(Cl)c1 64438647 CLPFCDSAZJEOSO-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C=CCc1cc([C@H](N)CC)ccc1OCCCCCC 66118331 LIKVGZFUUPOUIV-QGZVFWFLSA-N 275.436 4.784 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCO[C@@H](C(C)C)C1 70357465 SSLHTCKJVTXXAM-GDBMZVCRSA-N 291.460 4.580 30 10 CJEE CCCc1nc(Cc2cccc3ccccc23)sc1C#N 82426701 XQCDYQFHSNPRHY-UHFFFAOYSA-N 292.407 4.711 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87930345 PPKSQFZCSKHVLH-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE N#CC1(CCCOc2ccccc2)CCCCCC1 87945771 JDABDTMARGAAKR-UHFFFAOYSA-N 257.377 4.710 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(C)cc(C)c2)C1 87973048 GGNZQOSAPCCIBL-SJLPKXTDSA-N 255.405 4.956 30 10 CJEE CC(C)c1ccc(C[C@]2(C#N)CCc3ccccc32)cc1 87998139 RAHDOANWCARLJW-FQEVSTJZSA-N 275.395 4.760 30 10 CJEE C=C(C)C[C@@H](CSc1ccccc1Cl)NCCC 92130032 WQEKAQNBPGNSPN-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE CC[C@@H]1CCC[C@H](OCC(CC)(CC)CS)C1 94585865 YJIXJXWJCYQPGV-KGLIPLIRSA-N 258.471 4.708 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H](C)Oc1cccc(Cl)c1 97283910 ZWMLFVUKFJXRFV-YOEHRIQHSA-N 295.854 4.832 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(F)c(Cl)c1 104149264 HYNMXVPNPKSWIS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCCCN(C)C1CCNCC1 109687716 QRYDQGJELJZHNV-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCc2ccccc2C1 109947442 DIWCYHDDRNCPEJ-APWZRJJASA-N 273.464 4.883 30 10 CJEE Cc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1C(F)(F)F 110167453 FQXCYQVEBNOLCU-WFASDCNBSA-N 296.336 4.898 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCC(C)CC2)C1 110263931 XIFIGZXVHHULCA-VSQHIIRESA-N 276.468 4.605 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](SCc2ccccc2C)C1 110354947 UHFWQAHKOUOWDT-ZMSDIMECSA-N 273.445 4.947 30 10 CJEE CCCCCCCOc1ccc(C(C)=O)c(Cl)c1 112735961 FTSMTRQYXOVQHK-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 113049031 JGDPWIMSDWVTAC-LLVKDONJSA-N 296.336 4.958 30 10 CJEE CCCCCCCCCN1CCNC[C@H]1C1CCCCC1 114056762 XEKJDNLJZAJRHI-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCC(=O)c1cc(C)c(F)c(C)c1 114973884 JNUHUDFUEHJADT-UHFFFAOYSA-N 250.357 4.986 30 10 CJEE CCCCCCCCCCNCC[C@@H](C)CCC(=O)O 115731698 YTMMOHZUENAAIZ-INIZCTEOSA-N 285.472 4.608 30 10 CJEE CCCCCCCC[C@H](NC)C1(N2CCCC2)CCCC1 118177635 KXJORIJJPZKXFG-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC[C@@H](O)C1(N(C)C)CCC(C)CC1 118182385 NSFFVNVSZOFJFO-JLAWEPINSA-N 297.527 4.999 30 10 CJEE CCCCCCCCCn1ccc([C@H](N)CC)c1 118242135 LYIUYUHLQMHCPV-MRXNPFEDSA-N 250.430 4.649 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@H](N)CC 125694656 IVPBLZMAJZMENB-MRXNPFEDSA-N 269.473 4.994 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 125725342 GYDDLLLEBIZLRF-OCCSQVGLSA-N 276.811 4.982 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(F)ccc1C 126960829 LUWMOALGDRUNIO-QGZVFWFLSA-N 266.400 4.788 30 10 CJEE CCCCCCCCCCNc1ccc(N)cc1C#N 129211876 QWMOUQVYKRMILF-UHFFFAOYSA-N 273.424 4.693 30 10 CJEE CCCCCCCCCCn1cncc1CNCCC 129491178 XHRWAQVYORZPDF-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc2sccc2s1 130908480 OFRWMBBYGOECRN-SNVBAGLBSA-N 251.420 4.580 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccncc1CC 135372952 BHNONXDOKJMBNX-QGZVFWFLSA-N 262.441 4.785 30 10 CJEE C=CCCCN(C)c1ccc([C@@H](C)NCCC)cc1Cl 135983229 WNULPCNQJAYZOT-CQSZACIVSA-N 294.870 4.803 30 10 CJEE CCSc1cccc(Nc2cccc(COC)c2)c1C#N 136640052 QTOPLTZSINTYAO-UHFFFAOYSA-N 298.411 4.560 30 10 CJEE O=C(/C=C/c1cc2ccccc2s1)c1ccccc1O 143116406 NWKYDLFFVZFQMV-MDZDMXLPSA-N 280.348 4.503 30 10 CJEE C=CCC[C@@H]1C[C@@H](CC)CC[C@H]1CNCC(C)C 156101828 HGWYBEXMBQOFHT-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@@H]1O 164271963 LDLZUAPLDYIKAP-QGTPRVQTSA-N 276.420 4.583 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(C(F)(F)F)c1 203348284 MCWDRBYKYXSAIL-UHFFFAOYSA-N 268.278 4.779 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 218128306 ZBVCWCGLRRYWDY-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1c(F)cc(C#N)cc1F 221636440 SCZCPJKYIIWBMT-GHJWDPDVSA-N 293.357 4.676 30 10 CJEE CCCCCCCCOc1nc(NCC)c(F)cc1F 232941890 JKTDICBRLGNUPX-UHFFFAOYSA-N 286.366 4.531 30 10 CJEE C=CCCCCC[C@H](Cc1cc(C)cc(C)c1)NCC 233602911 PRMDULHREKRIPR-LJQANCHMSA-N 273.464 4.961 30 10 CJEE Cc1ccc(N[C@H](C)c2cc(C)sc2C)c(C#N)c1 235274740 RTDNABASJDURDF-GFCCVEGCSA-N 270.401 4.718 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](CS)C(C)(C)C 251518629 KIWYQOCBRZVJED-GXTWGEPZSA-N 299.911 4.925 30 10 CJEE CC(C)S[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252439382 NWSWHOSXPZUFIN-OWCLPIDISA-N 259.418 4.604 30 10 CJEE CCCCc1ccc(N=Cc2cccc(OCC)c2O)cc1 263632466 HOBKEKDRYWXYKD-UHFFFAOYSA-N 297.398 4.884 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 307948777 MEZPPTZFLQUPMS-INIZCTEOSA-N 288.753 4.914 30 10 CJEE C=CCCCCCCNCc1ccc(CC)s1 310330297 YGXSOEZYUCSRPP-UHFFFAOYSA-N 251.439 4.537 30 10 CJEE CCCCCCCCCOc1cc(F)cc(C#N)c1 311653016 FEAXEOYEPLNIKX-UHFFFAOYSA-N 263.356 4.827 30 10 CJEE C=CCCCNCc1cccc(Oc2ccccc2)c1 312550298 JCLKRSJUSZZDBE-UHFFFAOYSA-N 267.372 4.535 30 10 CJEE CC[C@H]1CCCC[C@H]1C1(C=O)CCC(C)(C)CC1 316823240 KPQCQKXEXSKXIB-LSDHHAIUSA-N 250.426 4.988 30 10 CJEE CC(C)c1ccc(CC2(C=O)CCCCCC2)cc1 316851232 XCDZHPGTOJRZPN-UHFFFAOYSA-N 258.405 4.892 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC)[C@H](C)C2CCC2)C1 325728312 AILWYORABOKGJX-JOCBIADPSA-N 276.468 4.605 30 10 CJEE C=C([C@H](NCCC)[C@@H](CC)CCCC)C(F)(F)F 385676779 ZYHNHAQFVVXNTI-STQMWFEESA-N 265.363 4.690 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@@H](C2CCCCC2)CS1 386163866 XARXSSADOABGEU-JKSUJKDBSA-N 296.524 4.987 30 10 CJEE CCCCCCCCCC/N=C1/N[C@H](CC)[C@H](C)S1 386730572 BCCYILAPWXBZSW-LSDHHAIUSA-N 284.513 4.987 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=Nc2ccsc2Cl)N1 387450743 USMBTAIJYIIAGI-VIFPVBQESA-N 288.869 4.530 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc2ccccc2s1 388882598 HQCYJMNJENSBSY-AWEZNQCLSA-N 271.429 4.601 30 10 CJEE C=C(C)CCOCc1cccc(CNCC(C)C)c1Cl 394489474 BLIGBYQKQBCIPQ-UHFFFAOYSA-N 295.854 4.568 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)C(=O)[C@H]1CC1(C)C 397692688 NMENHOHREFMQPV-ZIAGYGMSSA-N 266.425 4.557 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CC(C)(C)Oc2ccccc21 398055618 DPHKCHPEWBINEQ-HOCLYGCPSA-N 273.420 4.623 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1nccc2ccccc12 401652948 HUSITPVOYXMEHI-ZBFHGGJFSA-N 282.412 4.799 30 10 CJEE C[C@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1 405592789 IOTVSBCEPKJMEK-HNNXBMFYSA-N 275.273 4.535 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CC1CCCCC1 464649667 NTNZCYYPRBTFBT-WBVHZDCISA-N 277.452 4.550 30 10 CJEE CCCCCCCCC[C@@H](O)CCCC(F)F 687840474 XNDMRIIYXZHLPV-CYBMUJFWSA-N 250.373 4.923 30 10 CJEE COCC1(CC2(C#N)CC(C)(C)CC(C)(C)C2)CCC1 688339068 SWWBFUREWPRAKC-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE CCCCCCC[C@H](NC)c1cc(COC)cs1 689971066 PTFVEYSROULBKB-AWEZNQCLSA-N 269.454 4.516 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC12CCOCC2 690048095 HUXWANZQGJNJJN-DLBZAZTESA-N 281.484 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)C(F)(F)CC 690999641 DSQYZXZGAKKUSP-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C#CCCC[C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 698996275 MEJRWSPJNCRGBI-JFIYKMOQSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCCCC[C@H]1N 702475160 HIQOCCRIHXDNNQ-KURKYZTESA-N 283.500 4.786 30 10 CJEE CCCCCCCCCOc1c(F)cc(F)cc1CN 708453805 KBDKQRPGNSDZIM-UHFFFAOYSA-N 285.378 4.553 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCC(C)(C)C1=O 709239617 XHALRFOLDIKXGW-CXAGYDPISA-N 263.425 4.738 30 10 CJEE CCc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1Cl 709247294 ICUWYFMRWKGTCM-CJNGLKHVSA-N 276.811 4.787 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1cccc(Cl)c1 709511709 GFUFUMIUIOFDNS-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE N#CC1(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CCCCCCC1 721395435 FBZQZAKUGIOJIA-STQMWFEESA-N 289.341 4.741 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2sccc2C)CC1 724569277 GNOPSLKFEXQCLP-OAHLLOKOSA-N 263.450 4.844 30 10 CJEE CCCCCCCCC(=O)Nc1nc(C(C)C)cs1 1126112991 BNVZREBAWHYBEW-UHFFFAOYSA-N 282.453 4.956 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C[C@H](C)c1ccc(CC)cc1 1127519381 JWZCMOILWPBKRC-JKSUJKDBSA-N 287.447 4.604 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CC(C)CCCCCCN[C@@H](C)c1ccc(C#N)cc1 21516142 XIFRZSJHVHWFLS-INIZCTEOSA-N 272.436 4.815 30 10 CJEE c1ccc2c(CON=C3CCCCC3)cccc2c1 32180775 VNFBFQNKRGHWIH-UHFFFAOYSA-N 253.345 4.677 30 10 CJEE C=CCOc1ccccc1CNc1ccccc1C(C)C 37198045 VNKCIFPSDMRYQS-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE C=CCOc1ccccc1CNC(C)(C)CC(C)(C)C 37312493 YXBAGZUVBZUFIJ-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cccc2ccccc12 37970171 DGZMZURPXYYYMD-LJQANCHMSA-N 278.399 4.717 30 10 CJEE CSc1ccc([C@@H](C)Nc2ccc(F)c(C#N)c2)cc1 51635532 UTXNGYPIGMIPLX-LLVKDONJSA-N 286.375 4.592 30 10 CJEE CCN[C@H](C)c1cccc(SCc2ccccc2C#N)c1 84124969 KGDYTFHAIRIZIA-CQSZACIVSA-N 296.439 4.521 30 10 CJEE C[C@H]1CCC[C@H](Nc2cccc(OCCCC#N)c2)CC1 86888279 KAMQBOWWXBVLMG-HOTGVXAUSA-N 286.419 4.750 30 10 CJEE CCCCCC[C@@H](O)C1(C#N)CCC(CCC)CC1 91884827 ULAUEEFPTWYABS-AQFXKWCLSA-N 265.441 4.818 30 10 CJEE Cc1cccc(CSC[C@H](CS)C(C)(C)C)c1 94589552 MUKOXPGVUVSJFA-AWEZNQCLSA-N 268.491 4.820 30 10 CJEE CN(C[C@@H](CS)c1ccccc1)C1CCC(C)(C)CC1 94862543 OHMQBFZHGFMCBA-INIZCTEOSA-N 291.504 4.601 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(CC(C)C)cc2)cc1 94896904 IKHQBDOOQPXWNZ-LJQANCHMSA-N 278.399 4.870 30 10 CJEE CC(C)CC1(C(=O)[C@@H](C#N)c2cccs2)CCCC1 94902797 KZRGDKMKAJJJKT-ZDUSSCGKSA-N 275.417 4.531 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981775 AVFIOORYXWLSGR-MLGOLLRUSA-N 276.449 4.703 30 10 CJEE C=C(CC)COc1c([C@H](C)NCC)ccc2ccccc12 97191219 PHBMUOWIHDKDCR-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE C=C(CC)CNc1cccc(Oc2ccccc2)c1 97208048 YLJWPMXCTJROKI-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE C=C(CC)C[C@@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 97208329 FGKAXQYUJREBGB-QGZVFWFLSA-N 274.448 4.861 30 10 CJEE CCCCCCCNCc1ccccc1O[C@@H](C)CC 100126237 PFZBZIWTEXTMBE-INIZCTEOSA-N 277.452 4.924 30 10 CJEE CCCCCCCCNCc1ccc2cc[nH]c2c1 106267518 YLJYUUSGPGVKKS-UHFFFAOYSA-N 258.409 4.618 30 10 CJEE CCCCCCCNC[C@@H](c1ccccc1Cl)N(C)C 106351631 IENMHMAJWQPLTA-KRWDZBQOSA-N 296.886 4.503 30 10 CJEE CCCCCCCN1C[C@@H](C)Nc2cc(C)c(C)cc21 106597730 MVEKNVIEYZUWJA-MRXNPFEDSA-N 274.452 4.894 30 10 CJEE CC[C@H](C[C@@H]1O[C@H]1C)c1ccc(Cl)c(Cl)c1 107563269 HBKXLMZCNXAIKP-RWEMILLDSA-N 259.176 4.664 30 10 CJEE C#CC[C@@H](CCC)c1cc(Cl)c(C)cc1OCC 107621323 RJHGUZACTLZTPR-ZDUSSCGKSA-N 264.796 4.954 30 10 CJEE CCCCCCCCCCOC(=O)c1ccc(N)c(F)c1 109895892 IIPHCVFYASFKKM-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(F)c1 112885008 JQBCEBVIHRVZNZ-INIZCTEOSA-N 252.373 5.000 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(CCOC)cc1 115856267 ZUGFLQQLJKTOLS-IBGZPJMESA-N 291.479 4.887 30 10 CJEE CCCCCCCCCn1ccc([C@H](O)C(C)C)c1 118245899 UBVCEYHLSNDJQE-QGZVFWFLSA-N 265.441 4.928 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)c(OC)c1 122191756 VQPOTAKBEDWETH-QGZVFWFLSA-N 292.467 4.649 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cscn1 124369529 QRNPVMVQYHCPQY-CQSZACIVSA-N 255.427 4.707 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CSCCS1 125134000 CIKWXHGGGPVOJI-OAHLLOKOSA-N 288.522 4.935 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H](CCC)OCC 126197359 STLANUAXDARYAZ-CVEARBPZSA-N 257.462 4.530 30 10 CJEE N#Cc1cccc2nc([C@@H]3CC[C@H]4CCCC[C@@H]4C3)[nH]c12 126743235 IMONWRNOSWXFST-MGPQQGTHSA-N 279.387 4.508 30 10 CJEE CCCCCCCCn1ccc2cc([N+](=O)[O-])ccc21 128506861 VFDYKAOJWLIOJW-UHFFFAOYSA-N 274.364 4.910 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](OC)C(C)(C)C 130770391 NUNAAUDCSURVDS-HZPDHXFCSA-N 271.489 4.906 30 10 CJEE CCCCCCCCC[C@H]1CSC[C@H]1NCCC 134624127 CDLPFRYFVFWPNU-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccncc1OC 134688809 AAXWERAMXITQDH-INIZCTEOSA-N 279.424 4.654 30 10 CJEE Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C#N)s2)c1 134908603 UVXWYJNACCJUAO-ZIAGYGMSSA-N 284.428 4.648 30 10 CJEE Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)c(C#N)c1 160570648 NJXIMSDHMAZTCV-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE N#Cc1cc(OCC2CCCCC2)ccc1C(F)(F)F 164503675 MPEFTVUJBBHXQD-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE C=C(C)CC[C@@H](NC)C(c1ccccc1)c1ccccc1 164516820 HWDZKAVBIUZPNH-LJQANCHMSA-N 279.427 4.763 30 10 CJEE Cc1ccc(Oc2nc(-c3ccccc3)ccc2C#N)cc1 205865219 XUAYSYZSVDWDJU-UHFFFAOYSA-N 286.334 4.721 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c2cccnc12 227856754 PQXQMEBCTAFLMQ-WFASDCNBSA-N 299.805 4.773 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)C1 231020623 AGDKWZRYEPPNIY-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@@H](O)CC1CC(OCC)C1 232185389 QOQFEHQPVVAQIJ-AQFXKWCLSA-N 270.457 4.693 30 10 CJEE CC(C)(C)c1ccccc1Oc1nccc(C#N)c1Cl 232515217 JDDKWFGNRPHWPM-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE C=CCCCCC[C@H](N)C(C)(C)c1ccc(F)cc1 232590617 CDJSFJGEKSTJDI-INIZCTEOSA-N 263.400 4.567 30 10 CJEE CCCCCCCCCCNc1cc(N)cc(Cl)n1 232920376 SJSIXDGZJZBEJY-UHFFFAOYSA-N 283.847 4.870 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@@H](SC)C1 232949681 UMYRXRRFOQNUDY-HRCADAONSA-N 271.514 4.999 30 10 CJEE C=CCCCCCSc1ccc(Cl)c(C(=O)O)c1 236461648 XSJRWUMHYIZOSQ-UHFFFAOYSA-N 284.808 4.877 30 10 CJEE CC(=Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 254513596 FQXZWOFANTVMGB-UHFFFAOYSA-N 284.384 4.541 30 10 CJEE CCCCCCCCC(=NO)C(=NO)c1ccc(C)cc1 254624806 SGARMSAMQNNUMH-UHFFFAOYSA-N 290.407 4.754 30 10 CJEE CCCC(F)(F)c1cccc([C@@H](C#N)C(C)C)c1 259688433 ZLEBCVGIKWBEHQ-AWEZNQCLSA-N 251.320 4.842 30 10 CJEE C[C@H](C#N)c1cc2cccc(C(F)(F)F)c2s1 260070825 CZNICGHDFILBHN-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE CC[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1 313425705 KXEUIRZGPLNWMB-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC/C=C\c2ccccc2)C1 316752776 QWNUFSWBHZJIGF-VRNJFQDWSA-N 256.389 4.875 30 10 CJEE C=CCC1(CNC(C)(C)C)CCC(CCC)CC1 318198042 BPZPKHJZSMSIDM-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCC[C@@](O)(C1CCC1)C1(C#N)CCCCCCC1 322930093 NCPHUBAKQGWKSO-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE CCC[C@@H](Nc1cccc(SCC)c1C#N)C1CC1 323835859 APLRXJIFQZNASW-CQSZACIVSA-N 274.433 4.661 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC(C)(C)c2ccccc21 384838619 HSPNFNKAIMLBOI-INIZCTEOSA-N 257.421 4.601 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)CCCC2 393779495 NJRKUKPVVCUEAS-KDOFPFPSSA-N 257.421 4.571 30 10 CJEE C=C(COCCC)[C@H](CCCCCCC)NCCC 395809111 ITXCPPCXCKEXMP-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE N#C[C@@H](CSc1ccc(Cl)cn1)C1CCCCC1 397288967 HPHCEQGUDNCHIE-LBPRGKRZSA-N 280.824 4.547 30 10 CJEE C=CCO[C@@H]1CCCCCCCCCC[C@H]1NCCC 403910494 OTKVQGBOXGURIJ-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE CCc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1C 512292874 CCOFIAQIZDLTAG-CYBMUJFWSA-N 282.362 4.741 30 10 CJEE C#CCCCCC[C@@H](CC(C)(C)C1CC1)NCCC 686693580 DVANIFZBPWDKBU-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCc2cc(F)ccc21 692215304 OSAQUZFXQYPOMF-FSPWUOQZSA-N 273.395 4.538 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)c1cc2cscc2s1 694327644 IQHVUJKKVOZUQR-CYBMUJFWSA-N 297.404 4.761 30 10 CJEE CCCCCCCC[C@@H](O)CC[C@@H](N)c1ccccc1 695173598 HSGJZQNUOJOMPO-QZTJIDSGSA-N 277.452 4.578 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc(Cl)c(Cl)c1 695777203 BQOOPFVUOILKCU-VIFPVBQESA-N 272.175 4.701 30 10 CJEE C=CCCC(C)(C)CNc1nccc2ccsc12 703983308 ZLGLETZUJOVJNH-UHFFFAOYSA-N 260.406 4.701 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2cccc3sccc23)n1 705118680 OOAVMCWXLHFGKV-UHFFFAOYSA-N 280.352 4.577 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC12CCOCC2 709649182 CIQRQJHJGJZJIH-HNNXBMFYSA-N 266.425 4.513 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc(C(F)(F)F)ccc1F 710497889 XVVJWUGHJVYINN-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2cc(Cl)ccc2C)C1 710736335 DIRREMABONWOBU-COXVUDFISA-N 293.838 4.556 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CCCC1(F)F)NCC 714004644 ZVRGHPBWESTLOZ-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714466811 QMHLHTVNXPFHQA-XMTFNYHQSA-N 275.480 4.621 30 10 CJEE C=CC[C@H](C)Oc1cc(C)c(Br)c(C)c1C 715758526 NDYRVWJPQQZCRJ-JTQLQIEISA-N 283.209 4.718 30 10 CJEE C=CC[C@H](C)n1ccc2cccc(CNC(C)(C)C)c21 715801582 YNNPEBJWIAHYSM-AWEZNQCLSA-N 270.420 4.667 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCc2cccnc21 716099786 IVJYKWSXRQZZEL-GOSISDBHSA-N 274.452 4.713 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@H](C)CO1 718493070 QUYMPJQNMMKOEL-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSCC(C)(C)C(C)C 718870788 VOJPKAWOHFQWIR-KRWDZBQOSA-N 298.540 4.854 30 10 CJEE CCCCCCCCCNCc1ncc(C)cc1C 724087526 UOZPWYCVVAXRLU-UHFFFAOYSA-N 262.441 4.539 30 10 CJEE C=C1CCC(C[C@H](CCCSC)NCCC)CC1 724591710 BBGHLXPICLEPSS-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(F)(F)C(F)(F)F)CC1 724607606 PWWFSVPDAYJSJV-GFCCVEGCSA-N 299.327 4.689 30 10 CJEE CCCCCCCCCCN1CC[C@H]1CNC(C)(C)C 829217960 GOLGRMHKLFFSOI-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCC[C@@H](C)/C(=N/C)Nc1ccc(C)c(Cl)c1 1088738310 NANCZHUAYCQJQD-LLVKDONJSA-N 252.789 4.525 30 10 CJEE C=CCC[C@H](C(=O)N(CC)C[C@H](C)CC)c1ccccc1 1126766620 CZHFWRZLEHRAFL-AEFFLSMTSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H]1CCCN(CCc2cc(Cl)cc(Cl)c2)C1 1171846378 ARHUYWCJQLSDGT-CYBMUJFWSA-N 298.257 4.824 30 10 CJEE C=CCOc1cccc(CNCCC2=CCCCCC2)c1 1178454260 IJLDGHINDIDXAF-UHFFFAOYSA-N 285.431 4.622 30 10 CJEE C=CCCc1ccccc1NCc1ccc(OCC)cc1 1178552673 FKZZWGBVPSGRCJ-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc3sccc3c2)C1 1178855515 KTQMLDOLXPGREK-CZUORRHYSA-N 271.429 4.736 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H](C)CCC=C(C)C 1266594335 GHPCYCUFPFWUND-CVEARBPZSA-N 265.441 4.620 30 10 CJEE C=CCCCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 1280385728 DFMAPJAVUHLQSI-KRWDZBQOSA-N 273.420 4.731 30 10 CJEE C=C(CC)CN1CCC(Cc2ccccc2Cl)CC1 1308005619 INYCORUAPWTHBJ-UHFFFAOYSA-N 277.839 4.561 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(OC)ccc2C2CC2)C1 1308912532 WUPPMRCSHQGXAU-HIFRSBDPSA-N 271.404 4.729 30 10 CJEE C=CCC[C@@H](NC(=O)N(CCC)C(C)C)c1ccccc1 1312334678 QXHMNWFCJYMCQY-QGZVFWFLSA-N 288.435 4.524 30 10 CJEE C=CC1(CC(=O)Oc2cccc(C)c2C)CCCCC1 1351729415 TXTJXTDACDYVMB-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C=CC1CCN([C@H](C)c2c(C)cc(C)cc2C)CC1 1459481997 BATGCWDVLVUYQO-MRXNPFEDSA-N 257.421 4.571 30 10 CJEE C#CCCCCCCN(C)c1ccc(-c2nccs2)cc1 1460213765 LDXGQJNKKUDARA-UHFFFAOYSA-N 298.455 4.830 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCC2(C)C)cc1Cl 1474033746 YRJWPERRKMGLDJ-MRXNPFEDSA-N 293.838 4.573 30 10 CJEE C=C[C@@H](CC(=O)NC(C)(C)CC(C)(C)C)c1ccccc1 1524201937 UXKXBNIXVHYYIV-HNNXBMFYSA-N 287.447 4.677 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](CCCC)C(C)C 1526098834 AGYWRWGCKOBNFG-GOSISDBHSA-N 287.447 4.664 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2ccn(C(F)F)c2c1 1527944702 IYEOJLRCRLYFAI-LLVKDONJSA-N 292.329 4.577 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cccc(C2CCC2)c1 1534159359 SITBNUABPZYAIE-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C=CCC1(NC(=O)/C(C)=C\c2ccc(C)cc2)CCCCC1 1543288742 PBFOGAKPOBGFNC-ICFOKQHNSA-N 297.442 4.794 30 10 CJEE CCCCCCCN(C)[C@H]1CCCc2nc(C)sc21 1559622563 NWOJONFHSLUMRO-HNNXBMFYSA-N 280.481 4.731 30 10 CJEE C=C(CC)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1559767274 WDWHYVKCPZVRBS-QRVBRYPASA-N 269.432 4.611 30 10 CJEE C=CCCCC[C@H](C)NCC1(c2ccccc2F)CCC1 1560914139 BCCMGYZBYNPYKU-INIZCTEOSA-N 289.438 4.972 30 10 CJEE C=COc1ccc(NC(=O)C[C@@H](C=C)c2ccccc2)cc1 1584624563 YNSWLOYHDNCMHH-OAHLLOKOSA-N 293.366 4.507 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 1618527564 CJBXVLYYGOOSAE-IAGOWNOFSA-N 283.415 4.897 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(F)c(C)c1)C1CC1 1645116981 CNSGZYIGDZMZQR-IBGZPJMESA-N 287.422 4.759 30 10 CJEE CCCCCCCCCN1C[C@H](CC)OC[C@H]1CC 1647066360 LOYITSUOROEBIZ-SJORKVTESA-N 269.473 4.626 30 10 CJEE C=C(CC)CN[C@H]1CCCC[C@H](c2ccccc2)C1 1651212720 BDRPQHRNRUINDB-ROUUACIJSA-N 257.421 4.659 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(F)cc2OC(C)C)C1 1652024926 KSFFRNQWIFQUMG-HIFRSBDPSA-N 277.383 4.770 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(Cl)cnc2OC(C)C)C1 1652463260 VPJUZUYRBKAWJF-TZMCWYRMSA-N 294.826 4.679 30 10 CJEE C=C(C)CN(CCCC(C)(F)F)Cc1ccccc1 1653500342 NHSSWXIYRZLNPL-UHFFFAOYSA-N 267.363 4.500 30 10 CJEE C#CCCCCCCN1CC[C@@H](Cc2ccccc2)[C@@H]1C 1653539469 HCCXIYJOKPOBFJ-ICSRJNTNSA-N 283.459 4.523 30 10 CJEE C#CCCCCCCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 1657915998 BJRYDQNRPKIGJA-YLJYHZDGSA-N 299.458 4.662 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 1658302034 WKPCTSLSHVEBGD-YPMHNXCESA-N 284.230 4.828 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 1659523603 ZWDVPSVIXSZGNW-WOJBJXKFSA-N 283.459 4.571 30 10 CJEE 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30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1cc(C)ccc1Cl 1888681895 JBUAYLKETPZMFW-QGZVFWFLSA-N 271.791 4.622 30 10 CJEE C=C(c1ccccc1)[C@H](CCC1(C)CC1)NCCC 1888689027 MHSAUNQSJKIZGO-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)C1CCC(C)(C)CC1 1888704589 AEMIQLURTCAUFX-SFHVURJKSA-N 257.421 4.634 30 10 CJEE C=C(c1ccccc1)[C@@H](O)[C@H]1CC[C@H](CCC)CC1 1888719574 UAZDJUHOBPLYNN-KBAYOESNSA-N 258.405 4.667 30 10 CJEE C=CCCCCCn1cc(C(C)C)nc1Br 1903347757 YSWHKQVWNJEHMR-UHFFFAOYSA-N 285.229 4.515 30 10 CJEE CCCCCCCCC[C@H](O)c1cn(CC)c(CC)n1 1913438103 YOSIHWCUBVQYBV-INIZCTEOSA-N 280.456 4.640 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc(Cl)cc1C#N 1914534747 NANHKBTWZNKROS-UHFFFAOYSA-N 296.801 4.794 30 10 CJEE CCCCCCCC[S@@](=N)(=O)Cc1ccccc1C 1917862731 DQRGBTZOKGNUAP-LJQANCHMSA-N 281.465 4.902 30 10 CJEE CCCCCCC[C@](C)(N)c1cc2ccccc2o1 1920476650 JHICGMYFTQTZBD-KRWDZBQOSA-N 259.393 4.967 30 10 CJEE C[C@@](O)(c1c(F)cccc1Cl)C1(C#N)CCCCCC1 1921048038 FYIYQNMTKYVOJW-OAHLLOKOSA-N 295.785 4.551 30 10 CJEE 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CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87930312 ORJZCFKORGEYAG-CRAIPNDOSA-N 285.435 4.651 30 10 CJEE C=CCCC[C@H](NCC)C1CCC(C(C)C)CC1 87966399 GPDXQUPKPZXIGS-JCYILVPMSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87996742 CBBJFBCBNRSTMG-IAQYHMDHSA-N 292.766 4.511 30 10 CJEE Cc1ccc(Cl)c(OC[C@H](CS)c2ccccc2)c1 94584418 KCQHQNJCDZOGGZ-CQSZACIVSA-N 292.831 4.741 30 10 CJEE CCCc1ccc(OCCCCCCS)cc1 94585128 HVXLWTOZPZWEAJ-UHFFFAOYSA-N 252.423 4.508 30 10 CJEE CCCCCCC[C@H](NC)c1nc(CC)c(C)s1 104440056 VYHSRGTWPLOSBL-AWEZNQCLSA-N 268.470 4.635 30 10 CJEE CCCCCCCCCCN1Cc2ccc(CO)cc2C1 104680919 OCOAQRZUNUZAOR-UHFFFAOYSA-N 289.463 4.635 30 10 CJEE C=C[C@@H](C)Cc1ccc(OCc2ccccc2)cc1 107579305 ZFIURRLSZHVPMC-OAHLLOKOSA-N 252.357 4.630 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@H]1CNC 109687973 KXAQOIIZDGRZRE-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCCOC1(CNC)CCC(CC)CC1 110070180 VIWJJCODRCRFID-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOCCNCCCCCC 110239519 JPKLEHTYHCDVIC-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCCCCn1cc(CNC(C)C)cn1 110267856 GOOCWRZABCIQRA-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCCCCCC[C@H]1CCCc2ccccc2[C@H]1N 111609864 VYXSRKSEKDIRAS-WMZOPIPTSA-N 259.437 4.999 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1CNCC(C)C 111610774 JKGQBPPPYIVQED-IBGZPJMESA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc21 114383586 XMELSDRJGGNJIV-QZTJIDSGSA-N 259.437 4.794 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)c(N)c1 115061976 BZFSTTGDDMDZRN-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE CCCCCCC[C@]1(O)CCCCc2ccccc21 115649575 VHIPIYFMXLCNMH-SFHVURJKSA-N 260.421 4.961 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(F)c1F 122241345 MHQZLBASZXWFFI-OAHLLOKOSA-N 284.394 4.610 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCC[C@@H]1CC 123292699 DFNZMTRSLDBKSI-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCCCNc1cccc(Cl)c1N 125133904 DMUOBSKYCOVAJN-UHFFFAOYSA-N 254.805 4.695 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(F)ccc1N 126787546 RCSGVZVUSBUCSD-INIZCTEOSA-N 267.388 4.582 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](C)CCC 131279983 FNHLZBCATRBKSA-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE CCCCCCC[C@@H](N)c1ccnc2ccccc12 139652000 XLUNGYUXJIFIKK-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE CCCCCCCC[C@H](O)c1c(Cl)cnn1C(C)C 158940148 MGCZGWQTXDYCQJ-AWEZNQCLSA-N 286.847 4.901 30 10 CJEE C=C[C@@H](C)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 159743403 VKPPZRPZTGOVCQ-CYBMUJFWSA-N 289.463 4.651 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCCCS1 161236104 DKJLQUXTYVZQIL-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCC(=O)Cc1nn(CC)c2ccccc12 167084387 URWVPVPURCVILU-UHFFFAOYSA-N 286.419 4.528 30 10 CJEE CCCCCCC[C@H](O)c1ccc(SC)cc1 168208503 WTPPIZSNJKUPIF-HNNXBMFYSA-N 252.423 4.802 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CCC)CC[C@@H]1CNCC 219441036 WMVQVHQZJRMLHQ-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CC(C)CCN(CCC(C)C)CC1(C=O)CCCCC1 232548875 RTAKJUDJGPWIAZ-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1(O)CCCC1 232913597 FYIWJWAQSZBYHR-KRWDZBQOSA-N 284.484 4.963 30 10 CJEE CSCCCCCCNc1ccc(C#N)cc1Cl 235031760 LCVAAQUNUTWDJO-UHFFFAOYSA-N 282.840 4.547 30 10 CJEE ON=Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 250529945 DLMYVNYJAMLJJK-UHFFFAOYSA-N 289.334 4.954 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCCC[C@H]2C)C1 251361417 WYRVWCAXRQUAKO-BRSBDYLESA-N 290.495 4.996 30 10 CJEE CC(CCc1ccc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1)=NO 252472141 MXHGXTLZFHHOGL-QWQRMKEZSA-N 289.419 4.673 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 252997301 MHUWILJXQMMSQY-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC(C)c1nc2cc(CC(C)(C)C#N)ccc2s1 260240635 BBDQYWSQVDEXTP-UHFFFAOYSA-N 258.390 4.512 30 10 CJEE CC[C@H](C#N)c1ccc(C(C)C)c(Br)c1 260867596 KUKTUUODJXOWNX-SNVBAGLBSA-N 266.182 4.590 30 10 CJEE C[C@H](C#N)CCC1CCC([C@H](F)C(F)(F)F)CC1 261118772 HWRZTAKPUOUXNE-XKGSQUFQSA-N 265.294 4.633 30 10 CJEE CCCCCCCOc1cc(Cl)cc(C#N)c1 310143200 CTGSCEMBMQZZFP-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE Cc1nc(S[C@H]2CCC[C@H](C)C2)c(Cl)cc1C#N 311066718 CKGJQCATOHTWJN-CABZTGNLSA-N 280.824 4.586 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnc(C)c(C)c1 311984835 PCQMMGDGKMGAKQ-QGZVFWFLSA-N 263.425 4.873 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1c(C)oc(C)c1C 312200216 FSNVDHYZFCURSO-MRXNPFEDSA-N 275.436 4.685 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCCC[C@@H]1C 317221794 FWBMMJKXHOAMLD-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C(C)CC[C@@]1(CNCCC)CCc2ccccc2C1 317610466 LRROHLWHIZOXOI-LJQANCHMSA-N 271.448 4.518 30 10 CJEE CCC1CCC(CC#CC(C)(C)C)(CNC2CC2)CC1 319049423 LQAJCFAOJNPMQQ-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE N#Cc1ccc(OCC/C=C\c2ccccc2)cc1Cl 323755577 VSASDXKZGXHHDB-YWEYNIOJSA-N 283.758 4.694 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CC2CCC1CC2 380939599 LLJKIAIEVFERDG-GQGLESIBSA-N 252.442 4.924 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2cc(F)ccc21 388356336 CRJMHIIQUWOFBP-QGZVFWFLSA-N 261.384 4.539 30 10 CJEE CCCCCCCCCCN1CCC(CCCN)CC1 399395805 MAVAYNDXBAKONC-UHFFFAOYSA-N 282.516 4.578 30 10 CJEE CCC[C@H](CS)CSc1nccc2ccccc12 401497994 FKQPVSOXIRFYST-GFCCVEGCSA-N 277.458 4.673 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](O)C1(C#N)CCC(C)(C)CC1 401970708 ZFWALXNUZIBWFZ-BZUAXINKSA-N 277.452 4.674 30 10 CJEE C[C@H](CC(F)(F)F)C[C@@]1(C#N)CCc2ccccc2C1 402531253 VCTIGMXIWZBXAN-WFASDCNBSA-N 281.321 4.664 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnsc1 404720619 KAHYPYCFJOWSTO-OAHLLOKOSA-N 268.470 4.934 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Cc2cccc(O)c2)C1 688316028 PWQOIHUAVIUNPL-UHFFFAOYSA-N 271.404 4.681 30 10 CJEE C#CCC[C@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688345663 MIYGGSUHAZMHEO-INIZCTEOSA-N 263.469 4.621 30 10 CJEE CN(CCCCCCCCCS)CCC1CCC1 688689281 GWIRBJXBEBDAQW-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CC(C)[C@@]1(C)CSC(=Nc2cccc(C3CCC3)c2)N1 690151784 YYHKUNDNAFHMFH-QGZVFWFLSA-N 288.460 4.693 30 10 CJEE CC[C@@H]1N/C(=N/CCCC2CCCCC2)S[C@@H]1CC 694078514 NMAHWITVUOUWAW-LSDHHAIUSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C#N)C1 694548107 FSOMECYCOUSZNF-QGZVFWFLSA-N 264.457 4.753 30 10 CJEE CCCCCCC/N=C1/N[C@]2(CCC[C@H](C)C2)CS1 705860222 GSSFHUNMDSJCHV-HOCLYGCPSA-N 282.497 4.598 30 10 CJEE CCC(=NO)c1ccc(OC[C@@H](C)CC(C)(C)C)cc1 709232503 CDFHCJYOSAEGGK-ZDUSSCGKSA-N 277.408 4.726 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc2sccc2c1 709980676 NOGDIMMRVNEOAE-NSHDSACASA-N 258.390 4.642 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H](C)c2ccccn2)C1 710262842 IURUEWJBCJHYMK-BFYDXBDKSA-N 256.393 4.685 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(F)c(Cl)c1 710594751 SENPZRHCMKEFSZ-ZDUSSCGKSA-N 276.182 4.662 30 10 CJEE C=CCCC[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712605254 GKHGGUZHGYNRBY-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1c(Cl)cccc1Cl 715720966 PKMSRAPTJWUHPC-IINYFYTJSA-N 272.219 4.856 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 715798950 MMFVYAIRQIJWFR-NHYWBVRUSA-N 286.246 4.726 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1CC(C)(C)CO1 717025541 JYYHTZPCMACJOV-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE C=CCCC(C)(C)Nc1cc(F)c(Cl)cc1[N+](=O)[O-] 717668397 ZRDIVJHWGNPCGZ-UHFFFAOYSA-N 286.734 4.544 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H](C)COCc2ccccc2)CC1 719182896 OECGKTHRAJQFEM-JKSUJKDBSA-N 286.415 4.545 30 10 CJEE C=C1CCC(C[C@H](N)CSc2ccc(Cl)cc2)CC1 724550522 XIEGMGIZMHBAFX-HNNXBMFYSA-N 295.879 4.896 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@](C)(CC)OCC)CC1 724570288 AJRGVIGZHLIORS-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 724595123 MMHVTIKQEVKTLQ-BBWFWOEESA-N 250.426 4.556 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)CC[C@H](C)C2)CC1 724605516 ABMDEZUCCGNTQQ-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc2ccccc2o1 821996168 FQQVEIIFYSHJPB-RHSMWYFYSA-N 269.388 4.657 30 10 CJEE C=CCCCCCCNc1ncnc2c1oc1ccccc12 1163261069 YMDROIUWNXKWDE-UHFFFAOYSA-N 295.386 4.924 30 10 CJEE C=CCCCCCN(C)[C@H](CC)c1ccccc1OC 1170783070 LMOWZQMDWINZJW-QGZVFWFLSA-N 275.436 4.825 30 10 CJEE C#Cc1ccc(NC[C@H](CC)c2ccccc2)c(Cl)c1 1179699727 HGMLBXTUKPUWGK-HNNXBMFYSA-N 283.802 4.927 30 10 CJEE C#CCN(C[C@@H]1CCCC[C@@H]1C)[C@@H]1CCCc2ccccc21 1198105242 WLXGYRJJSNIBEE-HFSMHLIXSA-N 295.470 4.826 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)c1cc(F)ccc1N(C)C 1207862134 SFYKSDPAARWSEP-LSDHHAIUSA-N 292.442 4.677 30 10 CJEE C=C(C)[C@H](NC(=O)CC(CC)CC)c1ccc(F)c(F)c1 1269599424 FPQKHLPITQDPAT-KRWDZBQOSA-N 295.373 4.525 30 10 CJEE C=C(C)CCC(=O)N(CCCCCC)Cc1ccc(C)o1 1289054538 JQIOZGJKBDDNSC-UHFFFAOYSA-N 291.435 4.853 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CCC(C)(C)c1ccccc1 1289491733 BZBOKOJJDXFVOZ-GOSISDBHSA-N 299.458 4.702 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 1292065031 DIGZFLLLVLVPEH-OAHLLOKOSA-N 299.414 4.945 30 10 CJEE C=CCCCCCN(C)c1ccccc1Br 1307954855 RSDYBYLTIOKGML-UHFFFAOYSA-N 282.225 4.632 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2OCC)CCCCC1 1349610176 YPLZFAJXLDGDEB-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 1435153118 KKPLRJSQZXPJMO-FHWLQOOXSA-N 297.442 4.528 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCCc2cc(C(C)(C)C)ccc21 1435572619 AQRISKSURYHXAH-UHFFFAOYSA-N 299.458 4.866 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@H](C)CC2)CCCCC1 1459100777 OXOWVQMIMRPCOA-JKSUJKDBSA-N 277.452 4.598 30 10 CJEE C=CCCCCCN(C)Cc1cc(C)cc(Cl)c1 1461956775 SXOHVVRNORKINT-UHFFFAOYSA-N 265.828 4.827 30 10 CJEE C=CCC[C@H](CC)Nc1cccc(OC)c1Br 1462129136 SHDWPPRUGFPFAH-NSHDSACASA-N 298.224 4.614 30 10 CJEE C#CCN(CCC1C[C@@H](C)C[C@H](C)C1)C1CCCCC1 1473137574 XAFLXDAXEWDRIQ-IRXDYDNUSA-N 275.480 4.717 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1CSc2ccccc21 1474542055 QKOHODZGQVTWAG-HZPDHXFCSA-N 289.488 4.991 30 10 CJEE C=CCC1(CNC(=O)N[C@H](C)CCC(C)(C)C)CCCC1 1477949451 MYWIUBFDQQOUEV-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CCCCC(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 1523758925 GCTQAJZNAFPKLF-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE C=CCCCCCCCNC(=O)c1ncsc1C(C)C 1524537933 QFKDGOORXOSWEW-UHFFFAOYSA-N 294.464 4.523 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](C)C1CCCCC1)c1ccccc1 1526209619 OVJSIEBTUAZNHK-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CCCC(C)(C)C 1531517030 ZZLHDKLJFWHWCL-UHFFFAOYSA-N 287.447 4.808 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](CCC)CC1CCCC1 1536776921 DXJSCVBZKQOWST-DOTOQJQBSA-N 279.468 4.844 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]1CCC 1537944560 WYZYHFKVYLYSBA-ROUUACIJSA-N 291.479 4.798 30 10 CJEE C=C1CCC(C(=O)Nc2ccccc2NC(C)(C)C)CC1 1538458021 PANIVCUWHGIASB-UHFFFAOYSA-N 286.419 4.582 30 10 CJEE C=CCC[C@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)c1ccccc1 1538808492 MAZAVVPPFIHXST-NEWSRXKRSA-N 299.458 4.821 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CC)Nc2ccccc2)c1 1559042578 BGEKQAOKYRJSAC-SFHVURJKSA-N 294.398 4.549 30 10 CJEE C=CCN(CC[C@H]1CC1(Cl)Cl)CC1CCCCC1 1559537860 IBQZSALHWARXAZ-AWEZNQCLSA-N 290.278 4.639 30 10 CJEE C=CCCC1(CNCc2csc(C3CC3)n2)CCCC1 1560531667 JEAZSKGNGDQKAI-UHFFFAOYSA-N 290.476 4.637 30 10 CJEE C=CCCC1(CNC[C@@H]2CC[C@@H]3C[C@H]3C2)CCCC1 1560928941 IXZMYURMFJJGQM-BRWVUGGUSA-N 261.453 4.539 30 10 CJEE CCOc1ccccc1C#Cc1cccc(C(F)(F)F)c1 1614825471 HRCVOBUFWLZLDT-UHFFFAOYSA-N 290.284 4.504 30 10 CJEE C=CCCN[C@@H](c1ccc(CCCC)cc1)C(C)C 1616440816 CYPXEIQNLZODDW-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc2occ(C)c2c1 1623883108 AAIGGTHOVOZZIZ-ZDUSSCGKSA-N 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CJEE CCCCCCCCCCCOC[C@H](N)C(C)C 2223264118 INAPHSOQJJKHSL-INIZCTEOSA-N 257.462 4.517 30 10 CJEE CCCCCC#CCNc1ccc(Cl)cc1CC 2223749963 INGWMUWILMRWNF-UHFFFAOYSA-N 263.812 4.898 30 10 CJEE CCCCCCCC[C@H](C)Nc1cn(C)nc1Cl 2223848639 QYAITGVQXJAKDT-LBPRGKRZSA-N 271.836 4.625 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CC[C@H]1C(F)(F)F 2224366115 DOOKDCGFKRNSCC-MJBXVCDLSA-N 279.390 4.914 30 10 CJEE C=CCCCCCCCCO[C@H](CC)[C@H](O)CCC 2225682567 VJKNCHATLQJSSC-IAGOWNOFSA-N 270.457 4.859 30 10 CJEE C=CCCCCCCC[C@@]1(N)CS[C@H](C(F)(F)F)C1 2227271373 KYXNKCDGRYEGCH-STQMWFEESA-N 295.414 4.668 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncoc1C(F)F 2227290495 HPJQEBZSDHAYIB-NSHDSACASA-N 272.339 4.529 30 10 CJEE C=CCCC[C@H](NC)c1cccc(C(F)(F)F)c1C 2227657171 BPRPLXIMMMYZEN-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE Cc1cccc(N[C@H](C#N)c2sc(C)c(C)c2C)c1 2228568579 NKOSMESGOVWCBL-OAHLLOKOSA-N 270.401 4.659 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1N 2230979457 WCQYOQYRZNACNZ-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCOC[C@@H](NCCC)C(C)C 2230994039 ISHMVMHQIJHYGI-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCOCCCCNC(C)C 2231013174 DKKDQALLKDYQIM-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE C=C[C@H](C)CC(=O)c1cc(Cl)ccc1OC(F)(F)F 2231134081 LDYKFBCOTXQSDJ-QMMMGPOBSA-N 292.684 4.634 30 10 CJEE CCCCCCC[C@H](C)NCc1cc(F)cc(F)c1 2231380202 XTUFXJMFWCYJTC-ZDUSSCGKSA-N 269.379 4.803 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(C2CC2)cc1 2231695523 WUFJFMRVTRKQKM-RDTXWAMCSA-N 253.389 4.827 30 10 CJEE C=CCCCCc1ccc(C[C@@H](C)NCCC)cc1 2231745848 PBTZALVITWFPHA-MRXNPFEDSA-N 259.437 4.516 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1cscc1C 2231925607 ODXPOELLZAZYNF-HOTGVXAUSA-N 283.481 4.558 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)c1sccc1C 2231946294 OGCYNXKMTZSOIS-INIZCTEOSA-N 282.449 4.741 30 10 CJEE COc1ccc(C(=O)C2=CCCCCC2)cc1C(C)C 2233170616 UJMGELJZOZYGLA-UHFFFAOYSA-N 272.388 4.892 30 10 CJEE C=CCCCCCCCCO[C@](C)(CC(C)C)C(=O)O 2234039180 ZFJJUTKSUDVFPK-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cnc(C)cc1C 2235524748 SXPJKRUCAQHRHT-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc(COC)c1 2235539244 OBAACKPNFCGQGD-SFHVURJKSA-N 275.436 4.750 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cc(F)ccc1C 2235539265 OHKPNNQIOAFWHU-QGZVFWFLSA-N 278.415 4.555 30 10 CJEE C=CCCCCCCCC(=O)C1(O)C[C@@H](C)C[C@H](C)C1 2235541690 KPVHRAZXEPMZMV-HOTGVXAUSA-N 280.452 4.659 30 10 CJEE C=C(C)CCOC[C@@H](NCCC)c1ccc(Cl)c(F)c1 2235855779 COYKRTIQAATAPP-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE C=CCCCCCCCCN1CCC[C@@H]1COC(F)F 2236746808 RVHWZXJMFIKBEX-OAHLLOKOSA-N 289.410 4.607 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(C#N)c(F)c2)c1 2237991369 BWNGSVOPXHQQTO-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@H]1N 2239454377 HNARLHBQOSIRSW-KZNAEPCWSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCCOc1nc(C)c(CNC)s1 2239494426 DGJLKOWQDXMREN-UHFFFAOYSA-N 298.496 4.690 30 10 CJEE C=C[C@H](CC)OCc1cccc(CN[C@@H](C)CC)c1Cl 2239502847 OWZAMIKESUELHZ-XJKSGUPXSA-N 295.854 4.709 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CNCC(C)C)CC(C)C 2239503115 PTJJHGYGQVQAOU-QZTJIDSGSA-N 283.500 4.798 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 2239511855 YJDDDGMYLHHMQS-WCXIOVBPSA-N 281.484 4.680 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@H](CC)CC[C@@H]1NCC 2239511996 ZHDACTNUVOWLCZ-ZJPYXAASSA-N 281.484 4.695 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccnc(OC)c1Cl 2240629540 UGRAIXAAVMFXEY-MRXNPFEDSA-N 299.842 4.702 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C[C@@H]1CC12CCC2 2240639908 KLJAXLYMRVEMMF-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@H](C)NC1CC2(CCOCC2)C1 2240654285 QBXOKUMFQYZTST-INIZCTEOSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1OC[C@@H]2CCC[C@@H]21 2240667589 XYORJFDSKLCQBX-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(Br)c1 2250157122 SPOJYLLXAJOELE-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CC(C)(C)[C@@H](C#N)CSC[C@@H]1CCCCC1(F)F 2256100564 YZOOEYQWXNSKOK-RYUDHWBXSA-N 275.408 4.731 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)CCC(C)(F)F 2256418786 ARAYJDFRLWQRPH-GOSISDBHSA-N 281.412 4.605 30 10 CJEE CCCCCCCSc1ccccc1C(=O)OC 2259114965 XSMPTOROCZRCPT-UHFFFAOYSA-N 266.406 4.536 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CCCSCC1 2259192308 DVPIQHVIRFHLAX-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C=C(F)C[C@@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2261435460 MGYWHAAJYBDHDD-KGLIPLIRSA-N 255.421 4.690 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)nc1C 2266848658 YSSXVHBJRBKXRF-CYBMUJFWSA-N 264.413 4.560 30 10 CJEE C=CCCCCCCCSCc1ccc(N)c(C)n1 2271513866 DKHBBSXVLFGYPB-UHFFFAOYSA-N 278.465 4.732 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(F)c(F)c(F)c1 2271792384 UNOQWONQDHCPMI-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCCCCOC)C1 2271917721 AFYYJDSJABOIED-OAGGEKHMSA-N 283.481 4.645 30 10 CJEE CCN[C@H](CC#CC1CCCC1)CCC1CCCC1 2274119380 CMSLTZFGKGEGLY-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CC1(C)CCC(C)([C@@H](O)CC#CC2CCCC2)CC1 2274133256 VTKKQXBCNKKCFA-INIZCTEOSA-N 262.437 4.538 30 10 CJEE C=CCCCCC[C@](C)(OCCN)[C@@H](C)CC(C)C 2277004060 FDMNJUQDQXXGIN-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@H](CCC(C)(C)C)OCCN 2277137884 LDROJJTWCPYPJM-INIZCTEOSA-N 271.489 4.907 30 10 CJEE CCCCCCCCCC[C@@H](OCCCN)C1CC1 2277354844 VMCKCONJXPMKCI-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE Cc1cc(Cl)ccc1C(=O)C#Cc1ccccc1Cl 2277775948 PQUREFOBYRSNPA-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CN(CC[C@@H]1CCCCC12CC2)C[C@@H](CS)CC1CC1 2279563235 WVEHBRSNXSWPLC-IRXDYDNUSA-N 295.536 4.625 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279601158 JHOGPIXRPORVSJ-AJNGGQMLSA-N 291.401 4.936 30 10 CJEE CO[C@@H](CSC[C@@H](C#N)C1CCCC1)C1CCCCC1 2283993767 OGHSIRIDFGDABK-SJORKVTESA-N 295.492 4.645 30 10 CJEE CC(C)c1ccc([C@H](N)CC=CC#CC(C)(C)C)cc1 2284086463 QYAMEILMETVPDX-GOSISDBHSA-N 269.432 4.806 30 10 CJEE CC(C)=CCC[C@H](C)CCOc1cccc(F)c1C#N 2285115659 SXOHRBILBRSJRS-AWEZNQCLSA-N 275.367 4.849 30 10 CJEE C=CCCSC[C@@H](NCC)c1ccc2ccccc2c1 2287197083 ZIZSWSUOQZEZEB-GOSISDBHSA-N 285.456 4.800 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CCc2ccccc21 2287368926 BZOOXIMNXFHLNM-LJQANCHMSA-N 271.448 4.617 30 10 CJEE C=C(C)CCCCN1CCCCC[C@H]1c1ccncc1 2287380861 WTLOVODJXIPKIX-SFHVURJKSA-N 272.436 4.745 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)cnc1OC 2287412308 BXXGOSPQLNDIFT-HNNXBMFYSA-N 296.842 4.531 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCC[C@H](CC(C)C)C1 2287472156 HWHWVUBPMXFSOK-SJLPKXTDSA-N 280.452 4.659 30 10 CJEE CCC[C@H](CC)CNc1ccc(C#N)c(C(F)(F)F)c1 2287679861 YTMAOSLNSCKXEW-NSHDSACASA-N 284.325 4.815 30 10 CJEE CCCCCCCCCCC(=O)[C@@]12C[C@@H](CO1)C2(C)C 2289225794 ZITORIYXCWXMPI-MAUKXSAKSA-N 280.452 4.901 30 10 CJEE CCCN[C@](C#N)(CCCSCC1(C)CCC1)C(C)C 2290352347 UMNPHNVBQKPDQV-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)c1cscc1C 2291277553 KVUMKBDPISFQOP-HNNXBMFYSA-N 296.432 4.725 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@H]1C[C@@H]1C(C)(C)C 2292807432 WNAVRELMXZWDSL-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1CC1(F)F)OCCN 2293180965 KRYDUFJWBVBBIQ-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCCCC[C@@H]1C 2293600196 PLOUTOUNJKYNFJ-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC1(C)C)OCCCN 2293643682 SJPQPDJMLAPMLI-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@@H]2CCCC[C@H]21 2293699662 KCPNHLHCRGLULO-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCC[C@@H](C(C)C)CC1 2294058791 HFIILTYNSICDSG-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C#CCC1(Nc2ccc3ccc(Cl)cc3n2)CCCC1 2295007581 YSODPLGBVUTBBG-UHFFFAOYSA-N 284.790 4.636 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)CCCC1CC1 2295241710 CWVZXJMDAGTNFV-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@H](N)CC1(C)C 2295514799 MUCBTSCRJAJRAO-SJORKVTESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CCC 2295535332 BSQVSBXINHLZMB-ROUUACIJSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nccc(C)c1F 2295589536 KJUXKLLOVRLTOS-KRWDZBQOSA-N 280.431 4.844 30 10 CJEE CCCC[C@H](CC)CSC[C@H]1CCC[C@@](C#N)(NC)C1 2295763850 MTBWGVSBFDWICJ-YESZJQIVSA-N 296.524 4.608 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1ccc2ccsc2c1 2295882407 WBKHPUCNDYCKST-WBVHZDCISA-N 291.460 4.623 30 10 CJEE CC#CCCOc1ccc(Br)cc1C(C)(C)C 2302314821 BDLBCOUADGPHJT-UHFFFAOYSA-N 295.220 4.539 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cccc(Cl)c1Cl 2304043622 LOXOSWOFSHJEHG-UHFFFAOYSA-N 271.187 4.707 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1CCC1(F)F 2313779662 PUNUMBBUKDGLGO-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C=CCC(CC=C)[C@H]1[C@@H](O)C(C)(C)CCC1(C)C 2316734740 VDMYOASIYSIZOL-LSDHHAIUSA-N 250.426 4.578 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C)cc1SC 2319567449 NDAJQJATUQXNNY-HNNXBMFYSA-N 263.450 4.724 30 10 CJEE CC1=C(C)C[C@H](Nc2cc(Cl)ccc2C#N)CC1 2320374724 JDOLBNNJHAFFDF-CQSZACIVSA-N 260.768 4.512 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(F)(F)F)NCCC 2321141555 OWOBUUMSTUCKLD-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=C(C)COc1ccccc1C=CC(=O)c1ccccc1 2322542482 MRPOMKOKWCYRCZ-UHFFFAOYSA-N 278.351 4.538 30 10 CJEE C=CCC(C)(C)[C@H](N)Cc1cc(F)c(Cl)cc1Cl 2325263074 WCHRBLYRZYHSMB-CYBMUJFWSA-N 290.209 4.605 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)c(F)c1 2337112758 FUMPFHUGHNFULE-VBQJREDUSA-N 261.384 4.530 30 10 CJEE C#CC[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2C)C1 2338674433 QXEOLWBNIOMYJR-ZDUSSCGKSA-N 296.241 4.537 30 10 CJEE C=CCC(CC=C)Nc1cccc(C(F)(F)F)c1C 2338730345 PLXWSJFBKZPPNN-UHFFFAOYSA-N 269.310 4.947 30 10 CJEE CCCCCCCN[C@H]1CCc2ccc(C)c(C)c21 2339623451 VKHPLGVIKYXCFG-KRWDZBQOSA-N 259.437 4.851 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCC1=CCCCC1 2341090720 FZYTVQYMJOEVSM-QZTJIDSGSA-N 261.453 4.992 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1ccc(CCCC)cc1 2341891717 FCTZNYQSRNSIOA-ROUUACIJSA-N 257.421 4.646 30 10 CJEE C=CCCC[C@H](N)[C@@H](c1ccccc1)C1CCCC1 2342370697 OJVDGWWLNCLNPQ-ROUUACIJSA-N 257.421 4.644 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@H]1C(C)(C)C 2343228580 DFHPSEXMUUJYQP-OAGGEKHMSA-N 268.489 4.641 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C=O)CCCC(F)(F)C1 2343370699 FKAYICYLUFMPCR-GUTXKFCHSA-N 272.379 4.843 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CCC2(CC1)CC2)NC 2344372145 PPECPAVMBFKCPQ-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C)c(Cl)cc1OC 2344463928 SMIPUICXYMQZCO-JKSUJKDBSA-N 282.811 4.683 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCCC12CCC2 2352083333 HYKVEQKBUYPBLW-GOEBONIOSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NN 2353927499 JNBXEGOBZDHJQF-XWTMOSNGSA-N 280.500 4.785 30 10 CJEE CCCCCCCCN(C)C[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2357435443 QQNOXVWHCRJYJH-JYJNAYRXSA-N 287.438 4.960 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)C[C@]2(C)CCO[C@@H]21 2358322236 NERRRIXFUSXAFF-OKZBNKHCSA-N 279.468 4.580 30 10 CJEE CCN(CC)c1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1 33572343 GOHYMFVFZLTJER-GDNBJRDFSA-N 293.410 4.737 30 10 CJEE CCCCCC[C@H](C)Nc1cc(C#N)cc(F)c1C 37089251 PIXWPLFMTOHLEO-LBPRGKRZSA-N 262.372 4.777 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](c1ccccc1)C(C)C 37305246 HWYVWYFZXCZZJW-GOSISDBHSA-N 282.362 4.815 30 10 CJEE N#CC[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 55015039 RSMQBADYIBIYKY-OAHLLOKOSA-N 290.288 4.772 30 10 CJEE CCCCCCCCNc1cc(C#N)cc(F)c1C 59462108 AXEQHJWWIPOHSL-UHFFFAOYSA-N 262.372 4.778 30 10 CJEE COc1ccc(C(=O)/C=C/c2sccc2C)c(Cl)c1 83193884 QFNRIHFFCWUFLJ-AATRIKPKSA-N 292.787 4.615 30 10 CJEE Cc1ccccc1SC[C@@H](CS)C(C)(C)C 87097678 QUIXBJROHJTQLB-GFCCVEGCSA-N 254.464 4.679 30 10 CJEE CCCn1c(-c2cc(C)c(C)s2)nc2cc(C#N)ccc21 87570404 MBDCIAXWSJHWEQ-UHFFFAOYSA-N 295.411 4.663 30 10 CJEE C[C@H]1CCC[C@@H](N(C)CC2(CS)CCCCCC2)C1 94580317 YIAIPVTVLXJPAM-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE CCCC(CS)(CCC)COc1cccc(F)c1 94583001 NGDBXIKVFYVTBC-UHFFFAOYSA-N 270.413 4.721 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc3ccccc3[nH]2)C1 94629316 RWFZZEZDBSYQGQ-XNRPHZJLSA-N 284.428 4.978 30 10 CJEE Cc1ccc(C(=O)/C=C/C=C\c2cccs2)cc1 103044141 CNOBLRLRFISOQL-CGHHVMRMSA-N 254.354 4.509 30 10 CJEE CCCCCCCNCc1cccc(Cl)c1F 106265550 GSZOMATXUGLFDC-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCC#CC[C@@H](C)c1c(C)cc(OCCC)cc1C 107647548 MOBFBRZZJMIOPX-CQSZACIVSA-N 258.405 4.999 30 10 CJEE CCCCCCCCCCCC[C@@]1(C(=O)O)CCOC1 109674329 JSBAUSMGZRKVIT-QGZVFWFLSA-N 284.440 4.789 30 10 CJEE CN(Cc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 110247706 SRKMDJAPDZWFMW-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2Cl)c2ccccc2n1 110251956 ZJCPBPCCUCXECT-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1Cl 110465270 MXLMDPHPZILOHM-GXTWGEPZSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@@H](CNC)Cc1cccc(OC)c1 110521049 ARUTXNVMBJRVIO-GOSISDBHSA-N 291.479 4.824 30 10 CJEE CCCCCCC[N+](C)(C)[C@@H]1C[C@H](C(C)C)CC[C@@]1(C)O 111351781 DIJKBRDXKVVKLG-GUDVDZBRSA-N 298.535 4.609 30 10 CJEE CCCCCCCCCN[C@@H]1CCOc2ccccc21 113013325 YFLHBJUQHPGHLW-QGZVFWFLSA-N 275.436 4.850 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccccc1[N+](=O)[O-] 115862139 IGSIBRAJYAZPGG-MRXNPFEDSA-N 293.407 4.639 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc2ccccc12 126023071 IXGHEZOAOIIENG-GOSISDBHSA-N 270.420 4.705 30 10 CJEE Cc1cc(Oc2cccc(C(C)(C)C)c2)ccc1C#N 126909585 HWOZRKHGPHBASI-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 126990364 NJNHINOCPLPGOA-YRGRVCCFSA-N 274.433 4.517 30 10 CJEE C=C(C)[C@@H](NCCC)c1c(Cl)cccc1Cl 131304785 NJXYRICOTTWDFO-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C=CCCN[C@@H](c1ccccc1)c1ccc(C)cc1C 134967529 ISVLEPAFUMAWFQ-IBGZPJMESA-N 265.400 4.559 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnn(C)c1C 143454429 ISZOHQNYTVRVCE-GOSISDBHSA-N 293.499 4.910 30 10 CJEE C=CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC(C)C 156155091 KMNKMPUKCOKCLG-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE C=CCCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C 156299126 JKRYGOGIPPRANJ-CVEARBPZSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](N)Cc1c(C)cc(C)cc1C 157032542 VRPHTKZHFZHLFK-KRWDZBQOSA-N 261.453 4.842 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1F 161102356 TUQJHLSNRJQVFR-CQSZACIVSA-N 295.144 4.809 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCC)cc1Cl)C(C)(C)C 162271114 QQGAYZRJIRIOAB-CYBMUJFWSA-N 294.870 4.801 30 10 CJEE C=C(C)CC[C@H](CSc1ccccc1Cl)NCC 164644232 LVHZNQAYTZFQNZ-CYBMUJFWSA-N 283.868 4.767 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](OCC)C1CCCCC1 167601826 KSSKILRNBDOJSO-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE C=C(Cl)CSC(=S)Nc1ccc(Cl)cc1 205875598 ZWYPCKKIXMUQNI-UHFFFAOYSA-N 278.229 4.523 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC2CCOCC2)C1 217925587 QYXANOLXGRRYBG-FMKPAKJESA-N 295.492 4.643 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@@H](C)[C@@H](C)C2)CC1 218543329 UHNRGSFSUSZVLK-VGAKTEPXSA-N 277.452 4.674 30 10 CJEE CC(C)[C@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@@H](C)C2)CC1 218601383 ZXUDUOBIQXVTHW-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE CCCCCCCC(=O)C[C@@H]1CNc2ccccc21 226706698 YQWIOLHWOSUYQT-CQSZACIVSA-N 259.393 4.515 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1ccc(Br)cc1C#N 229174157 YQPUOQKCRYHAHU-QWRGUYRKSA-N 295.224 4.557 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)cc1OC 229756266 DGOROSNADBZFFN-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE Cc1cccc(C(C)C)c1Nc1nccc(C#N)c1Cl 232748359 RTRYXUJQUZYGLF-UHFFFAOYSA-N 285.778 4.782 30 10 CJEE CCCCCCCCCCNc1ccccc1CO 232925538 ILXLMXXCBXAHOR-UHFFFAOYSA-N 263.425 4.732 30 10 CJEE C=CCCCCCNCc1cccc(C(F)(F)F)c1 236151160 RADRYYVTLHRLDE-UHFFFAOYSA-N 271.326 4.541 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H](C)O[C@H](C)C1 250822976 MEDUTAQXVFXELS-FVQHAEBGSA-N 270.457 4.836 30 10 CJEE CCCCN(CC)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252432939 AVMBKTVIIHLNAZ-CEXWTWQISA-N 284.447 4.584 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1[C@H]2CCC[C@H]21 253050520 UJDZVEBEQJFEFB-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE FC(F)(F)c1ccc(N=Cc2cccs2)cc1 254874527 NIKCFNMVUZMANS-UHFFFAOYSA-N 255.264 4.518 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CCC(F)(F)C1 302272982 AXIXQTKXJUZMQY-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CCCCCCCCCCN[C@H](C)C(C)(C)OC 302411593 KUFDLPJQYRFYQV-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCC(F)(F)C1 305991576 UJUOOPOJSGBGDX-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=C(CNCCC)CSc1cc(Cl)cc(Cl)c1 306098927 ODDJTKVCXRYZLU-UHFFFAOYSA-N 290.259 4.641 30 10 CJEE CC1(C)CCC(CNc2cccc(Cl)c2C#N)CC1 311592528 RDESJODVCSQVJL-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE Cc1cc(OCc2cccc(Cl)c2)c(C)c(C)c1C#N 312234947 ANPVDAGKXXTXEH-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(F)cc(OC)c1 312336566 LYVJPCWVVSYNJK-QGZVFWFLSA-N 281.415 4.845 30 10 CJEE N#CC[C@H]1CCC[C@H](c2cc(Cl)sc2Cl)O1 312674496 ZJYZHGULCUUVEX-VXNVDRBHSA-N 276.188 4.579 30 10 CJEE CCCC1CCC(C=O)([C@H]2C[C@@H](OCC)C2(C)C)CC1 317276291 SJRINCGNCLDREG-BNQMIIOLSA-N 280.452 4.613 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccccc1C(F)(F)F 317441545 RGQBYEWHDDQHCO-IUODEOHRSA-N 284.321 4.643 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)CC1 380958362 BTSXYNXTTKDAMI-PMPSAXMXSA-N 275.436 4.834 30 10 CJEE C[C@H](C[C@@]1(C#N)CCc2ccccc21)c1ccccc1 384926594 PUGYDXUADQYWKI-DNVCBOLYSA-N 261.368 4.588 30 10 CJEE CC(C)(C)C[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 394987613 ADELZCAYDNJJRD-GMXGEUMGSA-N 279.468 4.920 30 10 CJEE N#CCc1sc2cc(Cl)ccc2c1C(F)F 396185755 FFQBGCGQLVKEPE-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)c1ccc(SC[C@H](C#N)C2CCC2)cc1 397285154 JLMNVDHEBVCHEB-HNNXBMFYSA-N 259.418 4.842 30 10 CJEE CC(C)[C@]1(C)CS/C(=N/[C@@H](C)c2ccccc2Cl)N1 398599136 VPWYZJNYGUWPOU-NHYWBVRUSA-N 296.867 4.508 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2ccc(C#N)c(F)c2)C1 404743596 IXWFZLGSCOWTMS-BXUZGUMPSA-N 263.381 4.509 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC1(C#N)CCCC1 405098500 CAQVTXUJUNIOSU-PMPSAXMXSA-N 263.425 4.548 30 10 CJEE C[C@@](C#N)(C[C@@H]1Cc2ccccc2S1)c1ccccc1 405683725 UUNWKTMOUHVUOA-WMZOPIPTSA-N 279.408 4.575 30 10 CJEE C=CCCCN(C)C(=O)Nc1c(CC)cc(C)cc1CC 435186302 CNFBJSHHBPMIQI-UHFFFAOYSA-N 288.435 4.550 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 464539745 DZEDEBQWKHHWTG-IUODEOHRSA-N 279.811 4.510 30 10 CJEE C=CCCCCCN(C)C(=O)CC/C=C/c1ccccc1 606814363 HIHIUZGBVQQADZ-XNTDXEJSSA-N 285.431 4.685 30 10 CJEE C#CCCCCC[C@@H](O)C1(CC(C)C)CCCC1 686673020 RMKXWWKHNMSWRA-MRXNPFEDSA-N 250.426 4.538 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnsc1 687176201 SUCCLOVQYXDDAH-AWEZNQCLSA-N 254.443 4.674 30 10 CJEE CCSc1cccc(N=C2N[C@@H](C(C)(C)C)CS2)c1 690176209 VWZLRCCSPYFYRZ-CYBMUJFWSA-N 294.489 4.537 30 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C=C[C@H](CCCCC)Oc1ccc(N)cc1Br 2216942619 CXGKPOQSXXCEKN-GFCCVEGCSA-N 298.224 4.545 30 10 CJEE C=CCCCCCCC[C@@H](N)CCCC(F)(F)F 2220087351 IUFYQKYJCIPKKM-CYBMUJFWSA-N 265.363 4.963 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)[C@H]1CC1(C)C 2220092713 MHRSAFYJQVBNNO-HZPDHXFCSA-N 251.458 4.879 30 10 CJEE CCCCCCCCCCCOCC[C@@H](C)NC 2223268091 WNUVMYRSOSRFQR-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C[C@H]1C[C@@](C=O)(CC2C[C@H]3CCC[C@H](C2)C3)CCS1 2225365186 XRNLBEUPHXCKOO-QBYUYEEZSA-N 280.477 4.694 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccc(C(C)(C)C)s1 2225433540 JHWSTVXYNYLFJJ-CQSZACIVSA-N 277.477 4.890 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1(C(C)(C)C)CCC1 2225437015 RIJXOBQJBYWAMA-HNNXBMFYSA-N 263.469 4.621 30 10 CJEE CCCCCC#CC[C@H](N)Cc1cc(Cl)ccc1Cl 2225673620 IKARIYGSEJUPJS-HNNXBMFYSA-N 298.257 4.837 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)(C)C 2225686902 CVDQYILDGIQMDG-CABZTGNLSA-N 298.213 4.852 30 10 CJEE N#Cc1ccc(NCCCCCCC2CC2)cc1Cl 2225786780 ILILEIGINWERKN-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 2227270738 GOFZZIWOYMFOLB-AESZEHBQSA-N 266.425 4.532 30 10 CJEE C=CCCCCCCCC(=O)c1ncoc1C1CC1 2227273354 QYSIHEGYQVXVGP-UHFFFAOYSA-N 261.365 4.651 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1ccccc1C 2227274005 IWGQQOOECMEGHS-SFHVURJKSA-N 259.437 4.782 30 10 CJEE CCCCC#CC[C@H](NCC)[C@]1(C)CC=C(C)CC1 2229044653 NKDUZMBETDENOQ-ZWKOTPCHSA-N 261.453 4.685 30 10 CJEE CCCCCCCCC[C@H]1CNCC[C@H]1C(F)(F)F 2229400029 FOFGECOVBPWUOJ-UONOGXRCSA-N 279.390 4.915 30 10 CJEE CCCCCCC[C@](C)(O)C#Cc1ccc(Cl)cc1 2230996986 YNWMZMNHMOECNO-KRWDZBQOSA-N 278.823 4.803 30 10 CJEE CCCCCCCCCCOC1(CC(=O)O)CCC1 2231029528 AALFEPZILGPCCZ-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CNC(C)(C)C)C(C)C 2231102182 CNKLPWCFAQOQIH-HZPDHXFCSA-N 269.473 4.551 30 10 CJEE FC(F)(F)[C@@H]1CCCC[C@H]1OCC1(CS)CCCC1 2231401026 ZFQCBDLIVNSNBZ-VXGBXAGGSA-N 296.398 4.614 30 10 CJEE C=CCCCO[C@@](C)(CCCCCCCC)C(=O)O 2231903799 IIRKJLNSXRZMPZ-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CC=CCCC[C@H](N)[C@](C)(O)CCCCCCCC 2231930147 UFSXHCPMPVHGGZ-DLBZAZTESA-N 269.473 4.562 30 10 CJEE C=CCCCCCCC[C@@]1(CNCC(C)C)CCOC1 2235521977 ORZIGBHGAGGEOI-SFHVURJKSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCC[C@@H](COc1ccccc1)NC 2235532945 PNKCRBKZQAXOEQ-KRWDZBQOSA-N 275.436 4.570 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCC[C@H](CC)C1 2235538409 IOXOMCXXGAGZPO-KSZLIROESA-N 280.500 4.951 30 10 CJEE CN(C[C@H](CS)CC1CC1)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238147285 HYFKPWVCWAKLAV-ZACQAIPSSA-N 297.552 4.869 30 10 CJEE CCCCCCCCCOCCC(F)(F)CNC(C)C 2239466052 BGYSGIZWDFOEJK-UHFFFAOYSA-N 293.442 4.777 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](N)c1cc(F)cc(Cl)c1 2239497816 GZEUUYLLRNURTN-JKSUJKDBSA-N 299.817 4.630 30 10 CJEE CCCCCCCCCCCOc1cc(C)nc(F)n1 2239559098 NELVVSLFWFMGEP-UHFFFAOYSA-N 282.403 4.834 30 10 CJEE CCCCC#CC[C@H](NC)c1ccc(C2CCC2)cc1 2240355967 VGSYRIVTZAZJKV-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCCCCC[C@H](O)C12CCC(OC)(CC1)C2 2240384679 YWXUQCVWBDNKKI-AOCRQIFASA-N 282.468 4.837 30 10 CJEE C[C@]1(C2CCC2)CCCN1c1cc(Cl)c(C#N)cc1F 2240556367 OWJNNADPHWCWRS-MRXNPFEDSA-N 292.785 4.510 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CC1(C)CCCC1 2240640404 PTHWKQQDTJQPIJ-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@]1(C)[C@H](NCCC)CCN1CC 2240640418 PZGXYPJELNIGNF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=C(C)CCCCOc1ccc(Br)c(C)c1 2244628532 JCNCSWPLKANJFP-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE CN[C@H](C#CC1CCCC1)c1scc(Cl)c1Cl 2251475624 XWRPFTYATPAEAZ-LLVKDONJSA-N 288.243 4.509 30 10 CJEE CC[C@@](C#N)(CC1(C)CC(C(F)(F)F)C1)C(C)C 2253690823 HXARAYUNQNAQLV-BPCQOVAHSA-N 261.331 4.931 30 10 CJEE N#Cc1ccc(CSC[C@H]2CC23CCC3)c(Cl)c1 2254041176 HPRFEACCBAVAPX-CYBMUJFWSA-N 277.820 4.635 30 10 CJEE CCCCCCCCCN1[C@H]2CCC[C@H]2C[C@H]1C 2254253382 BTCNCXLRXFPIGR-IKGGRYGDSA-N 251.458 5.000 30 10 CJEE C=C(C)CCCC[C@@H](O)C[C@H](C(F)F)C(C)(C)C 2259207740 XIIQIERHJYCQGN-CHWSQXEVSA-N 262.384 4.801 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(F)ccc(F)c1Cl 2259234272 ZTAVAPOYZKKSDY-GFCCVEGCSA-N 274.738 4.788 30 10 CJEE C=C[C@@H](NCC[C@H](C)CCCC(C)C)C1CCC1 2259639772 WUHXZISVQVROAP-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)Oc1cc(Cl)sc1CN[C@H](C)CC 2259946176 KOXIHDWMHJKXQF-MNOVXSKESA-N 287.856 4.633 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cc(C)c(Cl)s1 2261108537 FJLAYNHHTWZLQC-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C)C[C@H](C)O1 2263643408 ATKWHPAFFGGUEG-OWCLPIDISA-N 255.446 4.630 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccc(CCC)cc2)C1 2268205405 JDKAQMAAKQQPFY-GOSISDBHSA-N 257.421 4.646 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)CC=CC#CC(C)(C)C)C1 2268738437 JNSNHXUPSIDLAR-IXDOHACOSA-N 262.437 4.560 30 10 CJEE CC(C)C[C@H](C(C)C)[C@H](O)CC=CC#CC(C)(C)C 2268829636 IKCSNFQSRGFMAE-IAGOWNOFSA-N 264.453 4.661 30 10 CJEE C=CCCCSc1ccc(C)cc1CNCC(C)C 2271596979 PKCDQEHJSXCZJA-UHFFFAOYSA-N 277.477 4.799 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C(F)(F)C12CC2 2271793774 ZKMZJDHGQDFVQH-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1 2271833691 SXJPWYWNVXEYKM-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCC[C@](C)(CCCCCC)OCCN 2276224951 QMJQKVHQAVQCQM-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1ccco1 2278235428 MQWDOUUCAWGPHL-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE Cc1cc(N[C@H]2CCCC3(CCC3)C2)cc(C)c1C#N 2280555187 GVQJLPLBPOPWMP-HNNXBMFYSA-N 268.404 4.700 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@H]1CCC1(C)C 2280951124 WPOVVTRGAWZRIY-IKGGRYGDSA-N 283.500 4.642 30 10 CJEE N#C[C@]1(C[C@H]2CC(F)(F)C23CCC3)CCCC(F)(F)C1 2280997510 STWHQAUUAGJRDO-RYUDHWBXSA-N 289.316 4.921 30 10 CJEE C=CCCCCCCOc1ccc(CNCC)c(C)c1 2282785242 RPNXIDIBXFCBMS-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE CCCCCCCCCN(C)C[C@H]1COC2(CCC2)C1 2284833288 JGMOIBBRUUCKDY-KRWDZBQOSA-N 281.484 4.628 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)cc1C 2285157367 HTMIKZOMNCXQLN-HDMKZQKVSA-N 275.411 4.920 30 10 CJEE CC[C@@]1(C)CCSC(=Nc2cccc(C(C)(C)C)c2)N1 2285745835 PDZQWFZQCVFAAR-KRWDZBQOSA-N 290.476 4.867 30 10 CJEE CO[C@@H](CSC[C@@H](C#N)C1CCCCC1)CC(C)(C)C 2287300057 HRUAHXBCXQVADD-HZPDHXFCSA-N 297.508 4.891 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)CCOCC1(C)C 2287465666 LWWRAMCUHCKFBC-SFHVURJKSA-N 281.484 4.554 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1coc(C(C)C)n1 2287469333 FJSMELCREATNII-HNNXBMFYSA-N 278.440 4.975 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)CC1CCC(CC)CC1 2287670291 PAEHJGANXODZAX-ABHNRTSZSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@]12CCCC[C@@H]1CC2 2289005503 PPVXSIQMPNYBPD-SQNIBIBYSA-N 278.484 4.705 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1C(C)(C)C1(C)C 2289876475 XBGTYBZJGYEJAN-MRXNPFEDSA-N 275.480 4.621 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)ccc1C 2289881352 LPLJMXCYTKLDGK-SFHVURJKSA-N 289.850 4.883 30 10 CJEE C=CCCCC[C@@H](OCCCN)C1CC(C(C)(C)C)C1 2293268704 LRZWTAJLWPXBNH-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H]1CCC(C)(C)C1 2293323284 VIAAIRUWQJMZBR-DLBZAZTESA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)C1CCC(C)CC1 2293364926 NZQVWEUDRQUJPD-PVARCSIZSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)c(F)c1 2294418627 CXVJYJWGVLLBFN-INIZCTEOSA-N 299.817 4.632 30 10 CJEE N#C[C@@]1(C2C3CC4CC(C3)CC2C4)CCCCC12CC2 2294865645 QIDQELBOVDFGQD-IJNOCJQWSA-N 269.432 4.923 30 10 CJEE ON=C(c1ccccc1)c1ccc(-c2ccccc2)cc1 2295096306 BAOBNLDSPZIJFY-UHFFFAOYSA-N 273.335 4.580 30 10 CJEE CCCC[C@H](C)[C@H](C#Cc1ccccc1Cl)NCCC 2295222499 TYOYMXLHCTXWPR-YJBOKZPZSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H](C)CC(C)C 2295679002 LPNCKRHUBSDGDH-KSZLIROESA-N 285.516 4.888 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](CCC)N(C)C 2295682266 OMMBYFODERXYGS-ROUUACIJSA-N 284.532 4.836 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1ncc(Cl)cc1Cl 2300182231 CUXANAJOGSFOGF-BXKDBHETSA-N 271.191 4.545 30 10 CJEE C=CC[C@H](C)C(=O)Cc1ccc(Cl)c(Cl)c1C 2304063130 RHMSBWXLUACIMK-VIFPVBQESA-N 271.187 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(Br)c1C 2304119519 KUSTUNMGTRUBFV-CABCVRRESA-N 297.236 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)ccc1C 2304132009 JFSHLLYCTIFRNW-LSDHHAIUSA-N 252.785 4.674 30 10 CJEE C[C@H]1C[C@@](C#N)(C[C@@]23CCCC[C@@H]2CC3)CCS1 2313321308 LRONKGMVDFDLNW-JJXSEGSLSA-N 263.450 4.772 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)NCC)cc1F 2313689049 LLXQIKOZFFANGY-NEPJUHHUSA-N 267.413 4.553 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@](C)(CC)C(F)F 2315000193 ZJJJEVFRCYRXGL-UKRRQHHQSA-N 262.384 4.945 30 10 CJEE CCC#CC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2316945686 OBMZMBSDWCIGBB-CQSZACIVSA-N 284.230 4.756 30 10 CJEE CCC[C@H](OCC1(CS)CCC1)c1ccccc1 2318156817 JBLGEZIJEBYYSV-HNNXBMFYSA-N 264.434 4.645 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC1(C)C)NCCC 2321100410 AZYJSYVSDMOQIL-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C)c(Cl)c(C)c1 2321109554 ZKDIQWNLIJJBHD-OAHLLOKOSA-N 265.828 4.820 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C)CCCCC1)NC 2321117435 OHYQVDBFNNIQPK-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1 2321138540 SAAITKVHZFLPNE-TWMKSMIVSA-N 251.458 4.913 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCCCCCC1CC1)NC 2321146586 ZRUPJIMGTRBJQP-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C[C@@H](OC[C@](C)(CS)C(C)(C)C)c1ccccc1 2327165695 LTZMEZXAFVPWRU-CZUORRHYSA-N 266.450 4.746 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NCCCCC#N)c1Cl 2327860358 NYYAWVZWFVWMDQ-LLVKDONJSA-N 285.218 4.646 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329822829 XKHRCPPKZZMTSC-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C[C@H]1CCCCC1=NOCc1ccc(Cl)cc1F 2329917886 YZDUDXFJXZDJPY-JTQLQIEISA-N 269.747 4.562 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1cc(C)ccc1C 2335199899 HEZUZZPEGCGWNX-KRWDZBQOSA-N 275.461 4.557 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)c1c(F)ccc(C)c1Cl 2335581998 PLMKBQUOFKDJIQ-HUUCEWRRSA-N 283.774 4.541 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1 2337080301 GILGYXJXZAUGRC-SFFUCWETSA-N 261.453 4.680 30 10 CJEE CCc1cc(F)cc(NCCCCC(C)(C)C#N)c1 2344323170 VFAIRDCYAVCJOE-UHFFFAOYSA-N 262.372 4.520 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C(C)(F)F)CCC1)NC 2344339445 JIHPOVLFUZTMBC-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccccc1CSC 2344348243 ITJNWPZLNFRAPK-IAGOWNOFSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(C)(F)F)cc1 2344348799 NRGBXUUIMDKEJV-CABCVRRESA-N 267.363 4.791 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@@H]1C(F)(F)F)NC 2344357451 RBOIYHODVFGNBI-AGIUHOORSA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1nccc2sccc12 2344385457 PQFHXKGFPITNEI-WFASDCNBSA-N 274.433 4.549 30 10 CJEE CC(C)(C)[C@H]1CCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352089728 ZMOMTFAGBUPDHW-YOEHRIQHSA-N 285.541 4.727 30 10 CJEE CCN(CCc1cccs1)C[C@](C)(CS)C(C)(C)C 2352167084 DGODHJGHJWKFGF-MRXNPFEDSA-N 299.549 4.595 30 10 CJEE C=CC1(C[C@@H](NN)c2c(Cl)cc(C)cc2Cl)CCC1 2353121974 OGBAATWLFGUBRR-CYBMUJFWSA-N 299.245 4.553 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](O)[C@@H]1C[C@H]1CCC 2357786747 XMTUSKFSAJYASN-BRSBDYLESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@H]1CCC[C@@H](N)C1 2358322478 QYCMWVXDQFZLHT-RCCFBDPRSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC[C@@H]1C[C@@H]1CC 2358948094 OFHAIQKAVNEHKI-BSDSXHPESA-N 283.500 4.642 30 10 CJEE C#Cc1cccc(N[C@H](CC(C)C)c2ccccc2)c1 21010549 AZBGWRBBNLAQMJ-LJQANCHMSA-N 263.384 4.867 30 10 CJEE CCc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1 32115982 PIXSTCQTVOCHBQ-DHZHZOJOSA-N 268.331 4.593 30 10 CJEE C=C[C@H](CCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 34236208 IHKCLGOVTHTVJE-GFCCVEGCSA-N 299.411 4.513 30 10 CJEE CC(C)(C)C1CCC(C#N)(Nc2ccc(F)cc2)CC1 37935808 CZQPLLHOBFLRNS-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE COc1cc(C)c(/C=N/Nc2ccccc2C)cc1C(C)C 59166721 OWXSCSMAXCJNOI-UDWIEESQSA-N 296.414 4.881 30 10 CJEE CCN(CC)c1ccc(/N=C/c2cccc(Cl)c2)cc1 59514045 OQTIOVIQFLWGOU-CPNJWEJPSA-N 286.806 4.937 30 10 CJEE N/C(=N/c1cc(C(F)(F)F)ccc1Cl)C1CCCC1 62988992 PZKUBBFSFCGPGE-UHFFFAOYSA-N 290.716 4.538 30 10 CJEE CC(C)c1ccccc1Nc1ccc(F)cc1C#N 71575711 URBFVIKMSNSDEZ-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE COc1c(C)cc(-c2cc(C#N)c(C(C)C)o2)cc1C 77079879 ZKLDZRNMCZAGHX-UHFFFAOYSA-N 269.344 4.567 30 10 CJEE CC(C)c1cccc2c(CC#N)cc(C(C)(C)C)nc12 82464978 KWUPHARIXUEXRV-UHFFFAOYSA-N 266.388 4.722 30 10 CJEE C[C@H]1CC(Nc2cccc(OCCCC#N)c2)C[C@H](C)C1 84468758 QFKGJQOHXFFCFP-HUUCEWRRSA-N 286.419 4.606 30 10 CJEE N#C[C@]1(CCSc2ccccc2)CCCc2ccccc21 92273546 JXOBRLZCPUBVJE-LJQANCHMSA-N 293.435 4.967 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCS[C@@H]1C 94477850 HTZIACLSIUQYGY-OLZOCXBDSA-N 279.474 4.661 30 10 CJEE C=C(CC)CC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547007 WRSJEWKVVMUQBC-JGAFYBCUSA-N 260.421 4.908 30 10 CJEE CCCCCN(C)CC(CS)(CCC)CCC 94579007 TULWMQZDOYAGQO-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE CC(C)c1ccccc1OCC[C@H](C)CCS 94583169 XPIHDZHZVXQJEH-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE Fc1cccc(OCC2(CS)CCCCCC2)c1F 94585617 HPIBWFIRFVPMLJ-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE CCCCCCCCCCCCN(C)CCC(=O)OCC 110046073 YGBVAWPLDZFZEZ-UHFFFAOYSA-N 299.499 4.792 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1cccc(C)c1 110067814 OYADCVVSKIWAJJ-IBGZPJMESA-N 289.463 4.775 30 10 CJEE CCCCCCCO[C@H](C)[C@@H](NC)c1ccc(C)cc1 110081484 TVCQZQRFWIUIGK-SJLPKXTDSA-N 277.452 4.631 30 10 CJEE CCCC[C@@H](CC)CN(CCC#N)c1ccccc1 110246634 RTIVFAMULQKNBW-MRXNPFEDSA-N 258.409 4.623 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1OCC1CCCCC1 110263020 FOKUTCOWXNGWFH-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE N#Cc1cc(F)ccc1Oc1cccc(Cl)c1Cl 111037053 YTLCHGFZZJASSF-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCC[S@](=O)c1ccc(F)cc1 113540391 DDOQUFVMJSHCGI-GOSISDBHSA-N 270.413 4.684 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccccc1F 114871627 HZBJHHAEMJPTJJ-MRXNPFEDSA-N 252.373 4.784 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(O)cc1F 115858587 FCXVFAZOCNVRAZ-UHFFFAOYSA-N 281.371 4.611 30 10 CJEE C=C(C)CC[C@@H](CC12CC3CC(CC(C3)C1)C2)NC 125711941 SBLFIUUSHOKEPA-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCNCc1ccc(O)c(OC)c1 129308658 KDEDMKWIDSIATQ-UHFFFAOYSA-N 293.451 4.631 30 10 CJEE N#CC1([C@@H](O)c2ccc(C(F)F)cc2)CCCCCCC1 131713758 ZMSCVUUSUSZSJT-HNNXBMFYSA-N 293.357 4.912 30 10 CJEE C=C(Br)CNc1cc(Cl)c(C)cc1Cl 132156264 NDZLUGMOQHPWKT-UHFFFAOYSA-N 295.007 4.622 30 10 CJEE CCCCCCCCC[C@@H](NC)c1occc1C 133127235 HXTADKUHUNVLDQ-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE CSc1cccc(Nc2ccc(F)cc2Cl)c1C#N 136619813 IEMWWPWTQNKIJB-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCCCC[C@H](CC[C@H](C)OC)NCC 139440343 RYTBGKIDMFCVQP-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cncc(C)c1 143458588 KCEWIODOXXAWEA-QGZVFWFLSA-N 262.441 4.921 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 158339795 ZXRJGIOYLLAPOC-ZWNOBZJWSA-N 282.309 4.568 30 10 CJEE C=C[C@@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1C 159756058 AVDKWJXMHQYOMQ-APWZRJJASA-N 265.400 4.557 30 10 CJEE C=C(C)CCOc1ccc([C@H](C)NCCC)cc1Cl 164408053 JKZMZGHTXFVTTM-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)CCCC 167646869 WZVCGTPUOHTKKP-HNNXBMFYSA-N 255.446 4.604 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](CC)c1cccs1)c1ccccc1 179040819 IQYRVBCAWAFVRM-HOCLYGCPSA-N 299.439 4.675 30 10 CJEE CC(C)[C@H]1CCCC[C@]1(C#N)Nc1ccc(Cl)cc1 214722011 BDQSJRJFXGJNBG-HZPDHXFCSA-N 276.811 4.860 30 10 CJEE CCCCCCC[C@@H](N)c1cccc2ncccc12 228902637 VVBHTLOWNWWNAR-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE CCCCCCC[C@H](NCCC)c1cncc(C)c1 229002959 SVEGFEWJTKMACC-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H]1C[C@@H](NC)c2ccc(F)cc2O1 229330389 FYESZBQKUMBQOV-GOEBONIOSA-N 279.399 4.598 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(Cl)ccc1F 234436154 XEKYEAHHFJTAMT-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CC(C)(C)C1CCC(C#N)(COCc2ccccc2)CC1 309942209 HOQKIXMQSPNCIC-UHFFFAOYSA-N 285.431 4.949 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccccc1SC 312308581 WKSAIOZTNUDIMY-MRXNPFEDSA-N 289.488 4.889 30 10 CJEE CCCNC[C@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 317204342 QLXHTFQMXBTIIW-WMZOPIPTSA-N 263.469 4.622 30 10 CJEE C=C[C@H](C)C1(CNCC(C)C)CCC(C(C)C)CC1 318023153 KUUBRSOGZLVDPD-AOCRQIFASA-N 265.485 4.887 30 10 CJEE CCCCCCCOCc1ccsc1CNCC(C)C 378732608 XQVADZOVLULYGG-UHFFFAOYSA-N 297.508 4.981 30 10 CJEE C=CCCCCCOc1cccc(CNC2CC2)c1Cl 381339979 ZVENUMZMSHXEKP-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE CCCCCCCOc1cc(Cl)c([N+](=O)[O-])cc1C 381797987 DIBJXHQTVYFMDX-UHFFFAOYSA-N 285.771 4.906 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCCC[C@H]1c1ccccc1 384815204 ATMAZSZTQCCYLR-DLBZAZTESA-N 257.421 4.515 30 10 CJEE C=CC(C)(C)CNCc1ccc(OCCCCC)cc1 384862087 OOUKVPAJEJMYIH-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CCC(C)(C)COCCCCCCNC(C)(C)C 393205053 FIBFZMQLUXKMFQ-UHFFFAOYSA-N 269.473 4.554 30 10 CJEE N#CCc1cc2cc(Cl)c(C(F)F)cc2s1 396193586 SXZMYPLKXDWHTQ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(C(F)(F)F)c1 398154512 FXSHSCIHYOTTNB-GFCCVEGCSA-N 271.326 4.540 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CNC[C@@H](C)C1 401795673 QFVTXABPRISNQI-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CN(CCCC(F)(F)F)CC1(CS)CCCCCC1 402491100 AIHNNMVZZUFTFP-UHFFFAOYSA-N 297.430 4.531 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@@H](CC)CC(F)(F)F 402575447 QVVRJWJRSUORFK-OLZOCXBDSA-N 265.363 4.545 30 10 CJEE CC[C@@H](CNc1cccc(Cl)c1C#N)CC(F)(F)F 402662088 LJHXZJZOWSHWEQ-SECBINFHSA-N 290.716 4.602 30 10 CJEE C=CCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 404317392 WQRDKKVNADYMFN-ZDUSSCGKSA-N 277.166 4.696 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C(C)C)[C@H](C)c1ccsc1 421693547 RZRRHAHIRKTNPG-ZIAGYGMSSA-N 279.449 4.648 30 10 CJEE N#Cc1cc(-c2c(Cl)cccc2Cl)cnc1Cl 514260861 BXTWEFYKQMXZAV-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE Cc1c(OC(F)F)cc(C(F)F)cc1C(F)(F)F 575664357 FFRPHJFZVPRKMI-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@@H]1C 686467233 NCNCUTGZBDUQDP-HZMVEIRTSA-N 269.473 4.529 30 10 CJEE C[C@H](CC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690199727 QMEBAOXJADCOHH-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE C[C@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCCC1 691132231 JYMXXRPGGHMVMF-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CSCc2ccccc21 692234800 MGKDBOTXBVMYCZ-ZTFGCOKTSA-N 287.472 4.699 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1CCC 692241330 HVMWRSKPQLQDAU-OCCSQVGLSA-N 293.842 4.629 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C1CCC1 692691330 CJTGOGUBVXJLBJ-JOYOIKCWSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](CC(C)(C)C)NC 695956048 HUTGKFPFXQBCOL-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@@H](C3CCCC3)CS2)CC1 697621845 MPPILDKMKGSKIU-LSDHHAIUSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](O)c1ccnc(OC)c1Cl 701643900 OKYSBKNOMLGDSU-AWEZNQCLSA-N 299.842 4.918 30 10 CJEE C[C@H](C/N=C1/NC2(CCCCCCC2)CS1)C1CCC1 713209359 UHMFKNORDAPEPQ-CQSZACIVSA-N 294.508 4.598 30 10 CJEE C[C@H]1C[C@@H](/N=C2/NC3(CCCCCC3)CS2)CC[C@H]1C 713212384 CGNVYFQGGXBGPI-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CCCC[C@]1(C)/N=C1/NC2(CCCCCC2)CS1 713284521 LXCDFHPMMAQOAT-ZBFHGGJFSA-N 294.508 4.741 30 10 CJEE CCCCCCCCCCNC[C@H](COC)C(C)C 721918068 YUSKGXTXFSEHMZ-QGZVFWFLSA-N 271.489 4.635 30 10 CJEE C=C1CCC(CN[C@H](C)c2nc3ccccc3s2)CC1 724447098 QUSVVRGWKOEDMJ-CYBMUJFWSA-N 286.444 4.693 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CCCC3(CC3)C2)CC1 724559426 MFBZWPIAERFTRW-DLBZAZTESA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H](OCC)C(C)(C)C)CC1 724570526 CTILOBJJVDHYEG-DLBZAZTESA-N 281.484 4.552 30 10 CJEE C=C1CCC(C[C@@H](O)c2cscc2Cl)CC1 724571691 TWZCDTCLUPVWCW-CYBMUJFWSA-N 256.798 4.571 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H](C)C(C)(C)C)NC)CC1 724616692 LTANOWBBRDAQKM-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCCC(C)(C)C2)CCCCC1 1128063956 NKRGTPAVZOLUBY-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCC[C@H](C(=O)NCC1CCC(=C)CC1)c1ccccc1 1133320459 LWQDUZCNVAQGLS-IBGZPJMESA-N 297.442 4.599 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CCC1CCCCCC1 1134514900 IYVQRNKYQHBPCX-QGZVFWFLSA-N 277.452 4.694 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 1141271483 WAIJWRSUBUIXDF-KRWDZBQOSA-N 273.420 4.590 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1CCCc2c(F)cccc21 1182108264 BSGCKNCYOHWOKF-KDOFPFPSSA-N 275.411 4.928 30 10 CJEE C=CC1CCN(Cc2ccc(C3CC3)c(C3CC3)c2)CC1 1204180994 YRZISXSZHRVPTK-UHFFFAOYSA-N 281.443 4.839 30 10 CJEE C#C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccc(Cl)cc1 1206085397 WGQFPDNYBQDIJW-DLBZAZTESA-N 289.850 4.963 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C 1293970204 JZPRPSFSCSIWRG-LJQANCHMSA-N 299.458 4.959 30 10 CJEE C=CCN(C[C@@H](C)c1ccc(F)cc1)c1ccccc1 1308695716 HNRPILKVCQJKSO-OAHLLOKOSA-N 269.363 4.622 30 10 CJEE C=CCCC[C@H](C)NC(=O)C1=C(c2ccccc2)CCCC1 1357586965 MJIIEHJRZYFCOH-INIZCTEOSA-N 297.442 4.875 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)C[C@@H](C)CC)c1ccccc1 1360485774 ODYRKWPHCUHZEJ-FUHWJXTLSA-N 287.447 4.631 30 10 CJEE C=C1CCC(C(=O)O[C@@H](c2ccccc2)C(F)(F)F)CC1 1435532422 OZJFSPGWNBNMBO-AWEZNQCLSA-N 298.304 4.580 30 10 CJEE C=CCCC[C@@H](NC(=O)C(CC)CC)c1ccccc1 1438917184 CUZGUKPPRKFCSQ-QGZVFWFLSA-N 273.420 4.636 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCCC[C@@H]1c1ccccc1 1442749404 ZKOFITBRTRLSHO-GOSISDBHSA-N 285.431 4.733 30 10 CJEE CC#CCN[C@@H](CCCCc1ccccc1)c1ccccc1 1459817798 NSFAEJUXQXPKIB-NRFANRHFSA-N 291.438 4.754 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](C(C)C)C1 1461205805 WUJHKLHFYRFCNZ-SJLPKXTDSA-N 287.447 4.556 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1462164611 RUYOBKBWKKDBAF-ZWKOTPCHSA-N 273.395 4.706 30 10 CJEE C=CCCCCCN(C)C[C@H]1[C@H](c2ccccc2)C1(F)F 1473180432 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CCCCCCCC[C@@H](CNCC(C)C)OC(C)C 2142452627 JRKIYHAWQNZNBI-KRWDZBQOSA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)C1CCCCCC1 2142461754 ODGPUSVHPMQKGA-MRXNPFEDSA-N 268.441 4.637 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NCCC)C1CCC1 2147502771 UYJMBCQRYUFATG-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C[C@H](C)C1CC1)NC 2148335751 PCMFBUFIGRSUJV-JQHSSLGASA-N 283.500 4.512 30 10 CJEE CC1(C)[C@@H]2CC([C@@](C)(C#N)Nc3cccc(Cl)c3)C[C@H]21 2149747700 JNFYAUMZACFFIB-BFYDXBDKSA-N 288.822 4.716 30 10 CJEE O[C@H](CC#CC1CCCCC1)c1cc2c(s1)CCCC2 2149857662 KRVCBPZIAYNHFR-MRXNPFEDSA-N 288.456 4.634 30 10 CJEE Cc1ccccc1NC1(C#N)CC(C2CCCCC2)C1 2151226126 TZJDFYPQDJFRFE-UHFFFAOYSA-N 268.404 4.660 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)C(C)(C)C2CCCCC2)C1 2151475185 FWMATDHZELSRMF-KYJSFNMBSA-N 277.452 4.674 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)c2ccc(Cl)cc2F)c1 2151931522 WIJZEGIFUYUOHE-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CCCCCCCO[C@@H]1CCCCCC(F)(F)[C@H]1NC 2152684491 MEIFQMJLFWFIOZ-CABCVRRESA-N 291.426 4.529 30 10 CJEE CC1CCC(C#N)(Cc2ccc3c(c2)CCCC3)CC1 2152829395 DTMCHAZGFFANSC-UHFFFAOYSA-N 267.416 4.828 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2ccc3c(c2)CCCC3)C1 2152832994 OHZMTGSLFWMINM-KXBFYZLASA-N 270.416 4.503 30 10 CJEE Cc1cnc2ccccc2c1[C@@]1(C#N)CCCC[C@@H]1C 2154735566 PLFRKNFOXDJSRM-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CCC[C@@]2(C1)CC2(F)F 2156153885 HPLNIALWPDVBAP-OWCLPIDISA-N 285.422 4.927 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C1(O)CC=CC1 2158000282 XXYSTWRHGZOUGF-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CC[C@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2C)CC1 2159506642 PPZXZSWPDZAWIT-DOTOQJQBSA-N 270.420 4.662 30 10 CJEE CCCCCCCCCCNCc1nc(CC)oc1C 2160609009 VFIOIHIFMULFCG-UHFFFAOYSA-N 280.456 4.776 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CCOC(C)(C)C1 2161538138 COSVHTJBMKSSJF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=C([C@H](NC)c1ccc(C(F)(F)F)cc1F)C(C)(C)C 2164150344 VGFLTGFBBRWWBX-ZDUSSCGKSA-N 289.316 4.707 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc(CSC)cc1 2164480641 VLUZLEHRGONKMB-IRXDYDNUSA-N 291.460 4.693 30 10 CJEE O=C(CC#CC1CCCCC1)[C@@H]1CCCCCC1(F)F 2164933184 RKOVGIBMGHTSMA-HNNXBMFYSA-N 282.374 4.745 30 10 CJEE C=CC1(C[C@@H](CCc2ccccc2C)NCC)CCC1 2168027092 ARULUXVPAMUHET-GOSISDBHSA-N 271.448 4.652 30 10 CJEE CN(C[C@H]1CCCC(C)(C)C1)c1cc(Cl)ccc1C#N 2168554301 RIRDGFMIWZGWRO-ZDUSSCGKSA-N 290.838 4.864 30 10 CJEE CC(C)[C@@H]1SC(=N[C@H](C)[C@H]2CCCC(C)(C)C2)N[C@H]1C 2168632118 YKLHQHVBVAEIGK-QPSCCSFWSA-N 296.524 4.697 30 10 CJEE C[C@@H](Nc1cc(F)c(F)cc1Cl)c1cccc(C#N)c1 2168656751 RIZRDIYBKLWZNN-SECBINFHSA-N 292.716 4.663 30 10 CJEE N#CCN(CC1CCC2(CC1)CC2)C1CCCCCC1 2169061409 LNYPJFPTHHDLSF-UHFFFAOYSA-N 274.452 4.505 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(C(C)(C)C)nc1 2170369657 VUWJEKIGJZDWCD-RHSMWYFYSA-N 274.452 4.632 30 10 CJEE CCC1(CC)CCC(O)([C@]2(C#N)CCCC2(C)C)CC1 2171426961 KFRSQFMVADUGSE-KRWDZBQOSA-N 277.452 4.818 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NCC 2173291478 ZNFABUCNFGZBHQ-GBJTYRQASA-N 291.401 4.936 30 10 CJEE CCC1(CC)CSC(=NC[C@@H]2CCCCC23CCC3)N1 2173708735 DXECXTITTIRAEA-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@]1(O)CCCC(C)=C1C 2175785011 NYLAQSOWHTYNCF-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE N#CC1([C@H](O)c2cccc(F)c2Cl)CCCCCCC1 2176159742 LTLJFZYYVIWHGF-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCCCCCCCCCO[C@]1(C(C)C)CCCNC1 2176280392 SJDRRACIKPVWQD-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C=CCCCC[C@@H](NCC)c1cnc2ccccc2c1 2179678028 CHVUQSLPYWPKOZ-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 2181647125 YFWNYQCMCJUNTB-NQLMQOPMSA-N 272.432 4.620 30 10 CJEE COc1cc(Cl)ccc1C(=O)C1=CC[C@@H](C(C)C)CC1 2181672528 YLXBHRRJAFUVEU-GFCCVEGCSA-N 292.806 4.914 30 10 CJEE C=C1CC(CC[C@H](CNC(C)(C)C)c2ccccc2)C1 2182126446 CDYZMIVMAPSWCR-GOSISDBHSA-N 271.448 4.905 30 10 CJEE CO[C@@H]1CCC[C@H](C(=O)C2=CC[C@@H](C(C)(C)C)CC2)C1 2182795794 ISPWQTPQKUKLSK-ARFHVFGLSA-N 278.436 4.533 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CNc2cc(Cl)c(F)cc2C#N)C1 2184458319 PBGDPDDZHCSROJ-GDNZZTSVSA-N 294.801 4.835 30 10 CJEE N#C[C@]1(CC(F)(F)c2ccccc2)CCCC(F)(F)C1 2184840070 FSVJNAIZGDGVTJ-CYBMUJFWSA-N 285.284 4.888 30 10 CJEE CCCCCCCCCc1nc(F)c2c(n1)[C@@H](C)CC2 2187978691 ICRQDAGNSBBVHH-ZDUSSCGKSA-N 278.415 4.959 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(O)[C@H]1CCC1(C)C 2188561436 RJIQIQPJIBSWKU-XYJFISCASA-N 283.500 4.642 30 10 CJEE CC(C)(C)C1CCC([C@@]2(C#N)CCOCC2(C)C)CC1 2189809696 CTQJUERCBCFYCQ-JMLCCBQJSA-N 277.452 4.795 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2N[C@H](C(C)(C)C)CS2)CC1 2192877237 POUUVEZIRSXJBC-KKUMJFAQSA-N 296.524 4.700 30 10 CJEE CC#CCCCC(=O)c1ccc(-c2ccccc2F)s1 2194070399 AGOOKVPBOFXWMH-UHFFFAOYSA-N 286.371 4.931 30 10 CJEE CCCCCCCCN(C)CC(CN)(CCC)CCC 2196739808 VWXPYOGCOMBRCY-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE C#CC[C@H](C[C@@H](NCC)c1cc(C)cc(Cl)c1)C1CC1 2196835804 FMKQOMCFBNUVLG-CRAIPNDOSA-N 289.850 4.739 30 10 CJEE CCCCN(C1CCC1)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 2197403349 WUEHIKUZPNQJTL-LZLYRXPVSA-N 276.468 4.750 30 10 CJEE C=C(CNCC[C@H]1CC2CCC1CC2)c1ccccc1 2198102409 SHNJASGSMIOIPB-KVZIAJEVSA-N 269.432 4.506 30 10 CJEE O[C@H](CC#CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCC1 2199984229 KDCLQMHEHKEFCS-IPMKNSEASA-N 274.448 4.538 30 10 CJEE O=CC1(C[C@@H]2C[C@@H]2c2ccccc2)CCC2(CC1)CC2 2200380856 HKGRWTLFNMLIIC-DLBZAZTESA-N 268.400 4.720 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1[C@@H](C)CCN[C@@H]1C 2200624832 KXCKQVULYIVSNL-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE N#Cc1ccc(Cl)cc1O[C@@H]1CCC[C@H]2CCCC[C@@H]21 2201104938 KYAKBAIIPZPKJM-UHOFOFEASA-N 289.806 4.949 30 10 CJEE C#C[C@@H](N[C@H](C)[C@H]1CCCC(C)(C)C1)C1CCCCC1 2203788740 BNWYHKIBYDFIHI-BPQIPLTHSA-N 275.480 4.763 30 10 CJEE C#CCCCCCN[C@@H](C)c1cccc2ccccc12 2206330839 TZEVJTCEDVKVGK-INIZCTEOSA-N 265.400 4.684 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H](OCC)C1CCCCC1 2206892680 SYOONFSAIFVTAR-MSOLQXFVSA-N 282.468 4.859 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@H]1C[C@@H]2COC[C@@H](C2)C1 2206976043 UPSOKWVXLLWKKQ-CUSZFKRNSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)CC1CCCC1 2207382090 OFBNSNQFLCCXOU-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CC[C@@H](OC)C1 2207382844 WRWMPOJCZOGXAG-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCN1C(=O)[C@H](C)[C@@H](C)[C@H]1C 2207385728 QFLOKKONTSQRLP-BRWVUGGUSA-N 279.468 4.796 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@](C)(O)CC(C)C 2207388683 ANUCHBOEODCIDA-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2207402028 HSKFJXBNAQCETN-VGWMRTNUSA-N 286.406 4.945 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1CCC[C@H](C)C1 2207456446 JYEQOGZVDLDTSY-ULQDDVLXSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)c1ccc(CC)s1 2207459601 WVMNBPRVZABQRG-DOTOQJQBSA-N 297.508 4.683 30 10 CJEE C=CCCCCCCCC(=O)c1scnc1Cl 2214621100 DITXPYYEJVHMPF-UHFFFAOYSA-N 271.813 4.896 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(N)cc1Br 2216942620 CXGKPOQSXXCEKN-LBPRGKRZSA-N 298.224 4.545 30 10 CJEE C=CCCCCCCC[C@@H](N)C1C(C)(C)C1(C)C 2220080055 OTCJGXMIXSJMCP-CQSZACIVSA-N 251.458 4.913 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@H]12 2220096683 HNYBSFNOCPQFOM-VVLHAWIVSA-N 250.426 4.700 30 10 CJEE CCCCC#CC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2221971225 ZARSRFDLICTNLE-HNNXBMFYSA-N 285.214 4.785 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1C[C@](C)(F)C1 2223847920 JNENQNIQICOVCL-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)c1ccncc1 2227282453 WAUHBAKIIFYMRX-MRXNPFEDSA-N 260.425 4.601 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@]1(C)CC=C(C)CC1 2229047219 XINWGZSAOSGDCG-MSOLQXFVSA-N 261.453 4.685 30 10 CJEE C=CC[C@@H](C)Oc1cccc(Cl)c1CN[C@@H](C)CC 2231568349 XPHXLIQJAACXKZ-QWHCGFSZSA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@](C)(O)[C@](C)(CN)CCCC 2231905283 GUENATGWXFYWSH-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)c1ccccn1 2231923535 BUUICDSZHQFCTD-HOTGVXAUSA-N 262.441 4.871 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cnn(C2CC2)c1 2231942928 YMJGYANETUPKKP-CQSZACIVSA-N 263.429 4.769 30 10 CJEE COc1c(C(=O)C=C2CCCCC2)cccc1C(C)C 2233156131 XOSIHINZXBTJLP-UHFFFAOYSA-N 272.388 4.892 30 10 CJEE C=CCCCCCCCCCC(=O)C1(CC)CC(N)C1 2233456141 KMFKBTRSVGGMAX-UHFFFAOYSA-N 279.468 4.770 30 10 CJEE C=CCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCCC 2234039439 BFPJDEJICMKKER-RCCFBDPRSA-N 281.484 4.552 30 10 CJEE O=C[C@]1(CCCCCCC2CC2)CCc2ccccc21 2234159668 HNGFKBAPKRRJMC-IBGZPJMESA-N 270.416 4.820 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc([C@@H](C)OC)cc1 2234967509 YQQRFJMTJKHRAB-CRAIPNDOSA-N 277.452 4.928 30 10 CJEE CCCCCCCCCOC[C@H]1CC[C@@H]1CNC1CC1 2239448156 GIHBMROQEDFYRC-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCOCc1cc(C)cnc1N 2239486035 BPDQMFQGQXOCRX-UHFFFAOYSA-N 278.440 4.630 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@@H]1CCc2cccnc21 2240628120 LFEOCRIVPQZNHB-SJLPKXTDSA-N 274.452 4.579 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(F)c(C)c1 2240775811 BRDKPMWTKYALNX-UHFFFAOYSA-N 278.367 4.637 30 10 CJEE SCC1(CS[C@H]2C[C@@H]3C[C@@H]3C2)CCCCCC1 2249215459 PZCKNCLRBCESFB-BTTYYORXSA-N 270.507 4.789 30 10 CJEE C=C1CC(C[C@@H](N)c2cc(Cl)c(Cl)cc2C)C1 2249733416 KLNVOGSGDMEKEI-CQSZACIVSA-N 270.203 4.658 30 10 CJEE Fc1cc(Cl)cc(OCCCCCCCS)c1 2252611840 ODERWIQZMVYYOO-UHFFFAOYSA-N 276.804 4.738 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](C)CCS1 2252952040 AWKNWDQQMNEJQB-GJZGRUSLSA-N 257.487 4.958 30 10 CJEE Brc1ccc(C#CCC2CC(=C3CC3)C2)cc1 2253247174 QYDYDDSNXRCSTM-UHFFFAOYSA-N 287.200 4.691 30 10 CJEE CCCCCCCCCC1(F)CCCNCCC1 2256989453 OXONUNKLGCSQQR-UHFFFAOYSA-N 257.437 4.999 30 10 CJEE C=CCCCOC(=O)c1sc2ccccc2c1Cl 2257416381 BNLFTBFFINMGDK-UHFFFAOYSA-N 280.776 4.678 30 10 CJEE C#CCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2258577576 CTOVEWSDHMVYHX-OAHLLOKOSA-N 284.230 4.756 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Cl)nc2Cl)C1 2258722566 TUOXDTSOIWUPBV-YGRLFVJLSA-N 283.202 4.651 30 10 CJEE C=CCCCCCCCS[C@@H]([C@@H](C)N)C(F)(F)F 2259011264 VVERINVWQVSEPI-NEPJUHHUSA-N 283.403 4.524 30 10 CJEE C=CCCCCCCCS[C@H]([C@@H](C)N)C(F)(F)F 2259011350 VVERINVWQVSEPI-VXGBXAGGSA-N 283.403 4.524 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C)CC[C@@H]1NCCC 2259210731 IOQMUUJOOBXUER-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCN(CC[C@@H](C)CCCC(C)C)CC1CC1 2259685282 UEITVYLUYIFZSG-INIZCTEOSA-N 251.458 4.737 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@@H]2CC3)CCCC(F)(F)C1 2260644816 DFYAFMYDOSWPPT-RDBSUJKOSA-N 253.336 4.676 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@H](O)C#CC1CCCC1 2261007807 FNPHXFLHHQSCMP-OAHLLOKOSA-N 283.198 4.529 30 10 CJEE C(#CC1CCCC1)CNc1cccc2ccsc12 2261103320 QNGVUNBKXQWWTR-UHFFFAOYSA-N 255.386 4.507 30 10 CJEE CCCCCCCCN1CC(F)(F)CC12CCC2 2261492240 ZCBOJAITYMNKGG-UHFFFAOYSA-N 259.384 4.611 30 10 CJEE CCCCCCCCC[C@](C)(O)c1sncc1C 2263671688 RLPWUDNTPMGYFI-HNNXBMFYSA-N 269.454 4.800 30 10 CJEE CCCCCCC[C@@](C)(N)c1ncc(C(C)(F)F)s1 2264610632 XTARMIIMIISXAT-CYBMUJFWSA-N 290.423 4.789 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@H](C)CC2)cc(C)c1C#N 2265854338 PZHLIFXQBSYBQD-SWLSCSKDSA-N 256.393 4.556 30 10 CJEE Fc1cc(Cl)cc(F)c1NCC#CC1CCCCC1 2266842183 ZFMHIGOOLSZWOA-UHFFFAOYSA-N 283.749 4.614 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1c(F)cc(C)cc1F 2268231853 NKPZEJPNBJWKIX-BLLLJJGKSA-N 267.363 4.526 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)CCC[C@H](C)C2)cc1 2268243563 PNAFSDRVRXIJDC-MAUKXSAKSA-N 255.405 4.902 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc2sccc2s1 2268821560 DUGNELDCWPOFTN-LBPRGKRZSA-N 290.453 4.992 30 10 CJEE CCCCCCCCN(C)C[C@@H](CC(C)(C)C)OC 2271699403 XBSZFIMXKFULDE-MRXNPFEDSA-N 271.489 4.730 30 10 CJEE CCCCCCC[S@@](=N)(=O)CC1CC(C(F)(F)F)C1 2271714234 MFIADPMZYRTLPV-ZYYDUNOVSA-N 299.402 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1CC2(CC(C)C2)C1 2272187854 IFXHGKNRFSVAOS-OSHDJIMYSA-N 261.453 4.537 30 10 CJEE C=C[C@@H](C)CCNC1CCC(c2ccccc2)CC1 2273034488 VYUHUSIBXKZKAY-FAEJEUNOSA-N 257.421 4.515 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(C#CC2CCCCC2)CC1 2274053938 XFLFOHRFJJOTAS-ROUUACIJSA-N 262.437 4.538 30 10 CJEE CCCC[C@H](CC)[C@H](CC#CC1CCCC1)NCC 2274120768 KDUITIWIPZAJTA-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(N)CC#CC2CCCC2)C1 2274181100 NDCXKKSMKPZDDS-AEFFLSMTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H]1CC(C)C 2277230179 XAKYZVYMCIAJLX-IRXDYDNUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@H](NCCC)CO1 2278170425 BHOJVHKABAQWDI-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](O)[C@@H](C)CC 2278228022 DJLYDQQNDNRKDG-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CC1CC(CS)(CN(C)CC[C@@H]2CCCCC23CC3)C1 2280050155 JELHDZZEUMKOKV-CGZBRXJRSA-N 295.536 4.625 30 10 CJEE CCCC[C@](C)(CC=CC#CC(C)(C)C)CNC1CC1 2284075745 KOKYTXKZECPOQL-LJQANCHMSA-N 275.480 4.931 30 10 CJEE CCCCCCCC[C@@](C)(N)c1nccc2occc12 2284204109 XRBHIJGLSXBFFX-QGZVFWFLSA-N 274.408 4.752 30 10 CJEE CC(C)(C)Oc1cccc(OC[C@@H](CS)C(C)(C)C)c1 2285774041 YDKKOJUIJBAXOA-ZDUSSCGKSA-N 296.476 4.835 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@H]2CC3)CCc2ccccc2C1 2289131459 HBXHIDYGOCOOTE-OTWHNJEPSA-N 265.400 4.656 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1CCC(C)(C)CC1 2289855410 RVEXRVLCCUABEU-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CC=C(CC)[C@@H](CCCCCCCC)OCCC(=O)O 2291402864 YAWZXVJMHRLPNQ-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)c1cscc1C 2291457370 VBBAAUUXBLVXPX-OAHLLOKOSA-N 296.432 4.725 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1cc(C)c(C)s1 2293573552 DVCBLFMFHYALOQ-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCCC12CCC2 2293669722 KTTVUOSNCMDCPH-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C[C@@H]2CCC[C@@H]2C1 2293682799 FBOHDLXUBHGNAQ-PIIMJCKOSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ccc(CC)o1 2293717910 REHGMEPGIBBZCS-INIZCTEOSA-N 281.440 4.609 30 10 CJEE C=CCCCCCC[C@@](C)(CCC1CC1)OCCCN 2294018146 KYPDOTUPGJFATM-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@](CCC)(OCCN)C(F)F 2294455225 JGSKNSTUYIBBGT-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC 2294723622 RZINRYKAYXJLFW-KZULUSFZSA-N 273.464 4.571 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](O)(C#Cc2ccccc2Cl)C1 2295228612 GQIHFZFMZPHHFM-YJBOKZPZSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1cccnc1 2295684665 OXQKAQNNRKUCJE-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCC[C@H](CC)CSCC[C@@H]1CCC[C@]1(C#N)NC 2295764363 RVSCYZSTROZNDH-YESZJQIVSA-N 296.524 4.608 30 10 CJEE C=C(C)CN(CCCCCCCCCCCN)C(C)C 2296285372 ACNLYUDCZNMNNJ-UHFFFAOYSA-N 282.516 4.743 30 10 CJEE Cc1ncsc1C=CC(=O)c1ccc2ccccc2c1 2297687464 PCZUPYNQOROHRD-UHFFFAOYSA-N 279.364 4.501 30 10 CJEE C=CC[C@H](C)S[C@@H](c1sccc1C)[C@H](N)CC 2298817758 VNZDEFXOXXNOKZ-OUCADQQQSA-N 269.479 4.533 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cccc(Cl)c1Cl 2301036625 IFCFICGTWJVQDO-CQSZACIVSA-N 271.187 4.795 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2302843480 RUADCEURQYJOLP-AMIZOPFISA-N 290.621 4.874 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1sc(C)c(C)c1C 2304039236 VGNAWDXPNGBKQX-CQSZACIVSA-N 251.439 4.536 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCC(F)(F)CC1 2316747646 SEXRQKMPZBLKLY-ZDUSSCGKSA-N 256.336 4.540 30 10 CJEE C=CCCCCCCN(C)[C@H]1C[C@H](C)S[C@H](C)C1 2317708810 YLXMDZYHRDMESN-MUJYYYPQSA-N 269.498 4.727 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(OC)c(Cl)s1 2318008121 MCDAHXZJXXNIDD-NSHDSACASA-N 287.856 4.807 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(C)cc1SC 2319612261 LNRIJWJPYNJNOQ-OAHLLOKOSA-N 263.450 4.724 30 10 CJEE C=CC1(Cc2cccc(CC(F)(F)F)c2)CCC1 2327973058 WTGISWIIJOYQPG-UHFFFAOYSA-N 254.295 4.690 30 10 CJEE CCN(C[C@H](CS)CC(C)C)C1CCCCCC1 2328538197 IUWICCLNKOHTOP-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE CC[C@H]1CC[C@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329795195 VLQAVGFCGLINNR-XPABHHOTSA-N 267.363 4.778 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1CC[C@@H](CC)O1 2333365177 FHFUQRPKTQKTAV-BRWVUGGUSA-N 267.457 4.578 30 10 CJEE C=CCC(CC=C)Oc1ccc(CN[C@@H](C)CC)s1 2335109855 WWTIWSFIAWQJPS-ZDUSSCGKSA-N 279.449 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccc(C)cc1 2337108131 BKCGKLNOPYODMW-KBAYOESNSA-N 257.421 4.781 30 10 CJEE C=CCC(CC=C)[C@]1(CNC2CC2)CC[C@@H](CC)C1 2338727028 HHSNTABSGFJCEU-CRAIPNDOSA-N 261.453 4.703 30 10 CJEE C#CC[C@H](C[C@@H](O)c1ccc(Cl)c(Cl)c1C)C1CC1 2339050523 QYGVRCGBZXXQRH-IUODEOHRSA-N 297.225 4.775 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(F)cc1C1CC1 2339211156 OPFTUWSILIDYIE-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE CC1(C)C[C@H]1C#C[C@@H](N)c1cc(-c2cccs2)cs1 2339623957 YWEFFFUUENSELU-CHWSQXEVSA-N 287.453 4.526 30 10 CJEE N[C@H](CC#CC1CCCCC1)CCC1=CCCCC1 2340297046 GTIPGKHCWORKFX-GOSISDBHSA-N 259.437 4.568 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccccc1C1CC1 2341677885 CMXYPZHXKGKJNZ-SFHVURJKSA-N 258.405 4.892 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(F)ccc1C1CC1 2341792614 LKOQZPFLHUKQPE-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE C=CCCCCCCCN(C)CCCCCCOC 2342756038 AWNHSKPTNZCNOA-UHFFFAOYSA-N 269.473 4.652 30 10 CJEE CCCCCCCCCCOC[C@@](C)(CC)C(=O)O 2343160693 JOFZGFOKQFNLEZ-MRXNPFEDSA-N 272.429 4.645 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2 2344336961 NBYYMLDMTQPFQD-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(CC2CC2)cc1 2344368388 DBOYMHYVCQWEBR-KBXCAEBGSA-N 257.421 4.502 30 10 CJEE Cc1cc(C)c(CN(C)CC2(CS)CC(C)(C)C2)s1 2345019620 UACGVIKNUXLYSA-UHFFFAOYSA-N 297.533 4.533 30 10 CJEE CCCCCCCCOC[C@H](N)C1CCC(C)CC1 2351757352 XBQGZGRZLNBBOV-JCYILVPMSA-N 269.473 4.517 30 10 CJEE C=CC[C@H](C)S[C@@](CC)(C(=O)O)c1cccc(Cl)c1 2352002147 NMFZIIBJBSANGC-XHDPSFHLSA-N 298.835 4.728 30 10 CJEE CCC[C@@H](CC)C[C@]1(C=O)CCc2ccccc2C1 2353445318 AEGJHDWCLMUQQJ-CRAIPNDOSA-N 258.405 4.577 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@@H]1CNC(C)(C)C 2358903539 UPASBPGXWPSPNS-IKGGRYGDSA-N 281.484 4.552 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2359307826 QTQZARGKDLNJND-FCGDIQPGSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12C[C@H](CO1)C2(C)C 2359838595 PJQRUTZKIXVYEC-RYRKJORJSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)Sc1ccccc1CNC1CCC1 2360373143 CLEUDGOKLJFFTQ-UHFFFAOYSA-N 287.472 4.942 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccsc1)CC2 6903365 IBBYTGUEYCYBIH-NTEUORMPSA-N 268.381 4.577 30 10 CJEE C[C@H]1CCC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 37306490 NSFDISJJNOMPBJ-JQWIXIFHSA-N 283.293 4.535 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 37393286 RCDOFELNESWRKQ-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(C)c2)C1 40696150 WRKDLELFDUSIBK-IJEWVQPXSA-N 259.418 4.806 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccc(F)cc2)cc1 57685547 GDBVOQNOCSYRDO-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCC1)c1ccc(F)cc1Cl 62610726 NXXYGXGTWDCEDL-CQSZACIVSA-N 293.769 4.626 30 10 CJEE N#Cc1cc(Oc2ccccc2Cl)nc2ccccc12 68796565 NGNRQOBJDWNLDF-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(Br)s1 85063552 HRVMGFPJLRJUNP-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCCc3ccccc32)s1 87930151 LIUORRCTDKMGKD-GOSISDBHSA-N 281.424 4.651 30 10 CJEE c1ccc(CC/N=C2/CCCc3c2[nH]c2ccccc32)cc1 101376511 OFKPNWSGKKQHTO-VZCXRCSSSA-N 288.394 4.536 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(Br)s1 107596915 NXHBLYKPZWZUGO-NXEZZACHSA-N 271.223 4.664 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(F)c(F)c1 109935024 DXOACPAJIRBFQB-CYBMUJFWSA-N 269.379 4.803 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccccc1OC 112893643 WONQEPTTWGAQGK-QGZVFWFLSA-N 277.452 4.706 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(CC)s1 114875664 OOIPBSWWNNSRFR-CYBMUJFWSA-N 254.439 4.574 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1cnn(C)c1 115689075 RHOLJBULZSXUBV-SFHVURJKSA-N 293.499 4.992 30 10 CJEE CCCCCCCCCCCCS[C@H](C)CN 116951482 IQSHTJXDDKWKRD-OAHLLOKOSA-N 259.503 4.988 30 10 CJEE CCCCCCC[C@H](Cc1cc(F)ccc1C)NC 126919481 IGCPEWCZZHPSTL-QGZVFWFLSA-N 265.416 4.625 30 10 CJEE CCCCCCCCOCc1ccc([N+](=O)[O-])c(NC)c1 128521611 MZDCMVPAVICUJX-UHFFFAOYSA-N 294.395 4.514 30 10 CJEE CCCCCCCCCC[C@H](C[C@H](C)CC)NN 131279585 KGAMSBUJKVYODW-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE CCCCCCCC[C@@H](CCOCCC)NCC 140317581 HLRCNTYVXIOLEI-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@H](N)C1CCC(F)(F)CC1 140413970 ATIZFVCODLDEQS-AWEZNQCLSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCC[C@@H](N)CCCOCC 143458975 KFNAIJYNKZDQOF-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(C#N)Nc1cccc(Cl)c1 156058970 QOLZOMAMFFZIMH-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CCCCCCC[C@H](NCCC)C1C[C@H]2C[C@@H]2C1 158023608 ZQHPJIIGWGYKRM-INMHGKMJSA-N 251.458 4.761 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ccc(C#N)c(F)c1 160494545 HYEVMLRVDSMKRU-UHFFFAOYSA-N 268.335 4.873 30 10 CJEE N#Cc1cc(F)cc(COc2ccc(Cl)cc2Cl)c1 163707932 PXDVGEAWSROWTG-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(F)c1 215034377 VQIVVHDPRYWQDB-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC1(CS)CCC1 227281681 UOLFUEMWBKLCBG-ILXRZTDVSA-N 270.482 4.564 30 10 CJEE Cc1cccc(C(=O)C2=CCCCCC2)c1Br 235886225 CXQSKLFNOOGEDM-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)C[C@H]2CC[C@H]1O2 250808568 GQBRDNIHHQWBRJ-BFYDXBDKSA-N 282.424 4.540 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1CCC 250837544 VVJANEYSBKZGEX-GUDVDZBRSA-N 296.543 4.836 30 10 CJEE Cc1cc(N[C@H]2CCCC23CCCCC3)ccc1C#N 313041728 YCLVLPBVLNXWBP-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CCCCCCCCOC[C@@H]1CCc2ccccc2N1 313090157 XXZVOUSQGLBMGG-KRWDZBQOSA-N 275.436 4.790 30 10 CJEE CCCCCCCCC[C@H](O)c1cnccc1OCC 313704404 STXIBKFDXQNCFB-INIZCTEOSA-N 279.424 4.654 30 10 CJEE C[C@@H]1CC[C@](CC#CC(C)(C)C)(CNC(C)(C)C)C1 317976467 HIKBDBCAFXRCAR-QAPCUYQASA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@]1(CNCCOC)CC[C@@H](CC)C1 318287232 JDXCCHWCCMQHEV-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE C[C@@H](C1CCCCC1)[C@@H](C#N)Nc1ccccc1Cl 381889299 PVFKXAAGZGJDME-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCCC2(F)F)CC1 382043653 DSEBIWJXCBSHNJ-ROKHWSDSSA-N 255.352 4.922 30 10 CJEE C=CC[C@@H](CC)NC(c1cccs1)c1cccs1 393765237 GNEYZWSGJMTCSI-GFCCVEGCSA-N 277.458 4.843 30 10 CJEE C=CCCC[C@H](C)NCc1nc(-c2ccccc2)cs1 398093417 ZDAAGFDCZIALMD-AWEZNQCLSA-N 286.444 4.645 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 399188304 WIQNUWMFZUVPSK-VHSXEESVSA-N 298.213 4.852 30 10 CJEE CCCCCCCCCC[C@H](C)[C@H]1[C@H]2CN[C@H]1C2 400104244 FSCROMFZBCZCKK-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CCCCCCCC(=O)C[C@@H](CC)NC(=O)OC(C)(C)C 405645001 ZTNHMISGDGDHLA-CQSZACIVSA-N 299.455 4.609 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 464654303 DSRZIEXIGYXENO-YTQUADARSA-N 299.458 4.774 30 10 CJEE C=CCC[C@@H](Nc1cnn(CC(C)C)c1C(F)F)C1CC1 495064831 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HVVYCNRTRHGHCJ-FGTMMUONSA-N 283.500 4.778 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(CC)ccn1 2287465675 AZLMWMSYFNKBNJ-KRWDZBQOSA-N 274.452 4.821 30 10 CJEE CCC[C@](C=O)(CC)CN1CCCC12CCCCCC2 2287702920 HHGSKUIDWQZLOR-QGZVFWFLSA-N 279.468 4.571 30 10 CJEE CCC1(C#N)CCN(CC[C@@H](C)CCCC(C)C)CC1 2287882218 AJOOVJWOXLVWFY-KRWDZBQOSA-N 278.484 4.855 30 10 CJEE C=CCCCCCCCCCN(C[C@@H](C)O)C1CCC1 2287950246 RXVASLWMVBSZHL-QGZVFWFLSA-N 281.484 4.529 30 10 CJEE CC(C)N[C@@](C#N)(CCCSC1CC(C)(C)C1)C(C)C 2288950746 XCBLQYHWMOAOKL-QGZVFWFLSA-N 296.524 4.605 30 10 CJEE CC(C)[C@H]1CSC(=Nc2cccc(C3CCCC3)c2)N1 2289268623 PCBYDJHXIOYVLI-MRXNPFEDSA-N 288.460 4.693 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(Cl)cc1C 2289878213 AFTNDQMIICIJIF-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)C1CC(C)C1 2290878840 WJLPHTXWXGXUEW-DQPZFDDXSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCC[C@@H](CC(C)C)OCC(=O)O 2291665522 LICOCSRZBBEUOV-INIZCTEOSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@](C)(CCC=C(C)C)OCCCN 2292881925 JMMNSRNONBKLGY-SFHVURJKSA-N 281.484 4.993 30 10 CJEE C=CCCCC[C@](C)(OCCN)[C@@H]1CCCC(C)(C)C1 2293291410 HBGYMEXMEQIVBB-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE N#Cc1sccc1COC[C@@H]1C[C@H]1C1CCCCCC1 2294723447 PYGIMBWPTQBBIU-HOTGVXAUSA-N 289.444 4.743 30 10 CJEE C#Cc1ccc2c(ccn2C[C@@H]2CC23CCCCC3)c1 2295162062 LPHKQFHAODWNHH-KRWDZBQOSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@]12CO[C@](C)(C1)C2 2295676483 LDDAMGSFRCPSQA-KURKYZTESA-N 281.484 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NC)[C@](C)(O)CCCCCCCCC 2295679381 ORJQETAUSWFOJE-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@@H](C)O[C@H]1C 2295688836 JVMKTTODTXXFLZ-MHORFTMASA-N 283.500 4.919 30 10 CJEE Cc1ccc(C=C2CC[C@@H](C3CCCC3)C2=O)cc1 2297334002 SMPHJPBYPSFKHQ-KRWDZBQOSA-N 254.373 4.548 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(C)c1Cl 2304061046 BWEJQIBKUQSOLR-LSDHHAIUSA-N 251.801 4.641 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(CCC)s1 2304120676 VCZICJWCZSVGCT-LSDHHAIUSA-N 252.423 4.726 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@H]1SC 2307622746 BWPYOWDMVFOXSQ-CABCVRRESA-N 256.455 4.550 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313184761 LCULQJZXXVGRFQ-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]1CF 2313502532 JTICQMZLMZZVRM-HRCADAONSA-N 257.437 4.840 30 10 CJEE C=C1CC([C@H](NCC)c2c(Cl)cc(F)cc2Cl)C1 2313822357 SVILHZKOANYKII-AWEZNQCLSA-N 288.193 4.749 30 10 CJEE N#C[C@H](c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1F 2315351544 PMNPOFUEUSBMSD-NQBHXWOUSA-N 269.722 4.615 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(Cl)c(F)c1 2316739600 SYNWVEGOCIGEDV-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE CCC#C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2318362109 IUQYIYJVUSAPEF-CYBMUJFWSA-N 288.193 4.587 30 10 CJEE C=C(C)CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2318599053 IZJTUYDFCILMST-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCC(C)(C)C1 2319068175 ZHOXJDDVCIHGOG-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C)cc1SC 2319607611 AHONUSMKTVDTTF-OAHLLOKOSA-N 263.450 4.724 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C=O)CCS[C@@H](C)C2)CC1 2320407994 GXYAFFOPVGQBRJ-ARFHVFGLSA-N 266.450 4.614 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](OCC2(CS)CC(C)(C)C2)C1 2321742368 ZLFQUGJQJSCIBM-WDNDVIMCSA-N 270.482 4.564 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1C)OCCN 2334985636 OPYYXEGWXQKNTL-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)N[C@@H]1CCCCCCCC1(F)F 2335197642 OPDGZDGWFRAGCQ-OAHLLOKOSA-N 271.395 4.845 30 10 CJEE CCCCCCC[C@@]1(C(=O)O)C[C@H]2C=C[C@H]1CCC2 2338636507 XUWMRYYUZCURIB-BFYDXBDKSA-N 264.409 4.794 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1c(C)cc(C)cc1C 2338679578 ZJVQEZDPIIMNQA-SFHVURJKSA-N 257.421 4.554 30 10 CJEE C=CCC(CC=C)N(C)C1CC2(CCCCCC2)C1 2338704316 CARMMFOISDSBMR-UHFFFAOYSA-N 261.453 4.942 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1(C2CCC2)CC1 2338730078 NFAKMDOAUDAZLE-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCCC2(CC2)C1 2338734260 YEGGCGPZEMQGAO-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C=C(C)CCCCC(=O)C1(c2ccc(F)cc2)CC1 2338778766 OIHOORNNJHKPOF-UHFFFAOYSA-N 260.352 4.563 30 10 CJEE C=C[C@@](C)(CNCCC)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338992090 MLLREOGORRCJAS-XLAORIBOSA-N 263.469 4.785 30 10 CJEE C=C1C[C@H]1[C@H](CC1CC(CC(C)(C)C)C1)NCCC 2341891499 CXIUCGAGEHBWDO-BACDZXNISA-N 263.469 4.783 30 10 CJEE CCC(CC)(CS)COC[C@H]1CSc2ccccc21 2343308716 FDYRJLNPLQRXAB-ZDUSSCGKSA-N 296.501 4.629 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC12CCC2)NCCC 2344336695 LBDPRBNOKNKSJW-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1c(C)cccc1C 2344337360 PWQNXJVFXQCADN-QGZVFWFLSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(C)cc(C)cc1F 2344349461 STSIJOWUXIVMSV-IAGOWNOFSA-N 263.400 4.695 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cnc(C(C)(C)C)s1 2344381199 UPRFKPMNEYVZQY-CYBMUJFWSA-N 280.481 4.694 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCC#CC)NCCC 2344384767 XWYUQAANIDTMAK-ZWKOTPCHSA-N 263.469 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C2(C)CC2)cc1 2344458459 YHTYASNTTXLIAF-SJORKVTESA-N 258.405 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ncsc1C1CC1 2344630195 SLFIIUIPKJDLTQ-CVEARBPZSA-N 278.465 4.664 30 10 CJEE C=C1CC([C@H](NCC)c2cc(C)ccc2C(C)C)C1 2352924216 RIFCWOZBWNZVCU-SFHVURJKSA-N 257.421 4.735 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)C[C@H]1CCOC1 2353230234 OAAFQWOVUQTSRC-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CC(C)c1cc(C(=O)C2=CCCCCCC2)ccn1 2353571889 FLUORQXWZIQZPS-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE CC(C)C[C@@H](CS)COc1ccc2ccccc2c1 2353825959 DWLWFWUXYAUXMF-CQSZACIVSA-N 274.429 4.811 30 10 CJEE CC(C)C[C@@H](CS)Cn1ccnc1C1CCCCC1 2353848995 OTHWGNFGOUVXID-CQSZACIVSA-N 280.481 4.523 30 10 CJEE CCCCCCCCC[C@@]1(OCCCN)CC[C@@H]2C[C@@H]21 2360079684 LQOOUZAUAMXSKS-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 3895210 FIBOWLAQFMCLBQ-VJSYINPZSA-N 268.400 4.802 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C(C)=O 15121428 GWLGWWOKIBLQJF-FOUWAKMZSA-N 260.421 4.930 30 10 CJEE biogenic CC(C)c1ccc([C@@H](C#N)NCc2ccccc2Cl)cc1 20174477 TYISQJJHQQXVEX-GOSISDBHSA-N 298.817 4.818 30 10 CJEE N#Cc1ccccc1Nc1cc(Cl)cc(Cl)c1 21804736 PCMUWBZNDTXBRW-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE COc1cccc(C(=O)/C=C\c2ccc3ccccc3c2)c1 33502386 FXUOBXOBUTYOAW-BENRWUELSA-N 288.346 4.745 30 10 CJEE C=CC[C@H]1Cc2cccc(Cl)c2N1C(=O)OC(C)(C)C 34442420 RJTVRQZHJATFDQ-LBPRGKRZSA-N 293.794 4.582 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)c2)CC(C)(C)C1 36973170 XLRMUVUIOVPRCQ-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE CC(C)N[C@](C)(C#N)CCSc1ccc(C(C)C)cc1 45218128 LYSIEAAWWJNFKL-KRWDZBQOSA-N 290.476 4.572 30 10 CJEE N#Cc1oc2c(Cl)cc(F)cc2c1-c1ccccc1 52068704 DMOVDCYXELZFMH-UHFFFAOYSA-N 271.678 4.764 30 10 CJEE N#Cc1cnc2ccccc2c1Sc1cccc(Cl)c1 54185499 ZEIHYMMDNILJEZ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCc1cc([C@@H](C#N)Cc2ccc(Cl)cc2)ccc1OC 57723873 USEVBPSUHQIUKU-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCCCCCCO[C@H]1CCCc2ccccc2[C@@H]1N 59083758 SGBAYDGRXRJYBU-OALUTQOASA-N 289.463 4.768 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(OCC)cc1 59469218 WCEXVJIVTASDAX-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE C=CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 71277000 PUHZHMIEIWDUCT-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE SCCCCCCOc1cc(Cl)ccc1Cl 87078034 MFQFUKIYNLRTOM-UHFFFAOYSA-N 279.232 4.862 30 10 CJEE CCCC(CCC)Nc1ccc(C#N)c(C(F)(F)F)c1 88191330 MGEQZUHWCAJZFT-UHFFFAOYSA-N 284.325 4.958 30 10 CJEE CC1CCC(C#N)([C@]2(O)CCCC[C@@H]2C(C)(C)C)CC1 91876184 QFSLXGSUDZOACZ-NRLXWARBSA-N 277.452 4.674 30 10 CJEE CCC(CC)N(CC(C)C)[C@H]1CCCCC[C@@H]1C#N 93309006 ASXHIESQUGLLFU-WBVHZDCISA-N 264.457 4.605 30 10 CJEE CC1(C)CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 94328866 TXRZQVMCMQBJHQ-CQSZACIVSA-N 296.336 4.958 30 10 CJEE CC(C)(C)[C@@H](CS)CSc1ccc(F)c(F)c1 94588913 MRRPTBQBXMFTEZ-VIFPVBQESA-N 276.417 4.649 30 10 CJEE Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(Cl)n1 96887874 HQSSVIUTFFBYDK-UHFFFAOYSA-N 297.572 4.889 30 10 CJEE CC#C[C@@H](C)Cc1cc(C)cc(C(C)(C)C)c1OC 107671757 MXYVUAMRADYLMT-CYBMUJFWSA-N 258.405 4.503 30 10 CJEE N#C[C@H]1CCC[C@@H]1NC1CCCCCCCCCCC1 109960433 BZTFIOIRLLSGSY-AEFFLSMTSA-N 276.468 4.942 30 10 CJEE CC(C)c1ccc(Sc2nc3c(cc2C#N)CCC3)cc1 110354039 JGHJNUBYFOYXNY-UHFFFAOYSA-N 294.423 4.717 30 10 CJEE CCCCCCCC[C@H](CO)Cc1ccc(F)cc1 116633070 NAIFBARHRAHUKT-INIZCTEOSA-N 266.400 4.727 30 10 CJEE CCCCCCCCCCCc1onc(N)c1CC 116908277 UABBRCRPSXIJAH-UHFFFAOYSA-N 266.429 4.893 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc2c(c1)CCC2 122231534 QUJAMMVKZBATJW-IBGZPJMESA-N 288.479 4.820 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccccc1C(F)(F)F 122843575 COGKLCUBCXEMFK-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE O=C(/C=C/c1ccc2ccccc2n1)c1c[nH]c2ccccc12 125336154 QDMVOFJEWLIUSG-VAWYXSNFSA-N 298.345 4.612 30 10 CJEE CCC[C@H](Nc1cc(C)nc(C)c1C#N)c1cccs1 126259971 AMLOAMBYLKEFDX-AWEZNQCLSA-N 285.416 4.585 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](C)NCC)cc1 126863738 ZJWRWJASNKYNIL-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1cccc(SC)c1C#N 127075812 OUJXFGKOEWZGRF-NEPJUHHUSA-N 262.422 4.517 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cc(F)ccc1F 127752233 QLBLHKQHTUPVCD-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(C)CCCC1 130007843 MQIWWAIKWCITEQ-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CSc1cccc(N[C@@H](C)CCc2ccccc2)c1C#N 130540790 VVEOYASPMZMAKP-AWEZNQCLSA-N 296.439 4.713 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCO[C@H]1C 149685863 XETWESGRHGFVJC-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCNc1ccnc(F)c1 156375331 RNNFAVFNSPLKIR-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE CCCCCCCC[C@H](NC)c1c(OC)cccc1OC 159002774 HNDXJXYQOLURFW-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE CCCCCCCCCCCC[C@@H]1CC[C@H](C(=O)O)N1 160237014 VYBQTIAWSAGHJE-HZPDHXFCSA-N 283.456 4.503 30 10 CJEE CC(C)c1ccccc1OCc1ccc(C#N)cc1Cl 162969852 QGDCQGBYZDSBEO-UHFFFAOYSA-N 285.774 4.914 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(CC#N)cc2)c2ccccc21 163726424 IGAZENLMXHWRPO-AUUYWEPGSA-N 276.383 4.803 30 10 CJEE C=C(C)CC[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 164485025 ITWPKQXZEGQSBF-KRWDZBQOSA-N 274.448 4.861 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)C2(C#N)CCCCC2)s1 166301587 HFEBXNYKFXSOQL-CQSZACIVSA-N 277.433 4.553 30 10 CJEE CSc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1C#N 167597469 RLYZIURNWBAHKB-UONOGXRCSA-N 288.460 4.908 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 225556789 YXQADHZTGPSZKE-ZETOZRRWSA-N 296.336 4.814 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC(C)C 227926169 BCVFNQWPWCOXOY-IPMKNSEASA-N 277.496 4.724 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2cc(F)ccc2O1 229359423 CLRZZBYPUPEOIS-DOTOQJQBSA-N 280.383 4.761 30 10 CJEE CCCCCCCCCCNC(=O)OCC(C)C 231202730 XUFMMPHELKDXCI-UHFFFAOYSA-N 257.418 4.509 30 10 CJEE CCCC(CS)(CCC)COc1cc(C#N)ccc1C 232333317 AJKIAABEGWMACK-UHFFFAOYSA-N 291.460 4.762 30 10 CJEE CCCCCCCCNC1CCC(SC)CC1 232920170 CNRZULPPOWRQIG-UHFFFAOYSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCCNC[C@H]1CCO[C@H]1CC 232949285 MUYBCPINKLOGLY-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCOc1cc(C#N)cc(OC)c1 232953598 GAYCBVHAYINKIK-UHFFFAOYSA-N 275.392 4.696 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(Cl)c(F)c1 234459283 QMYOLEFIVLIQIK-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE Cn1cc(C=Nc2nc3ccccc3s2)c2ccccc21 252608328 HJENXKPLCBPDCZ-UHFFFAOYSA-N 291.379 4.539 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H]2C[C@@H]21 302714508 YVBXVRPVBHKTAI-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@H]1CCCC[C@@]1(C)Nc1ccc(C#N)cc1Cl 308731508 UCYMIEPCUVTMAK-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE C=CCCCCN[C@H](C)c1ccc2ccccc2c1 311674443 ZCTSGWGCRFANSN-OAHLLOKOSA-N 253.389 4.847 30 10 CJEE Cc1cc(N2CC[C@H](C)c3ccccc32)ccc1C#N 312344208 HCHAIWXHGRWVJM-ZDUSSCGKSA-N 262.356 4.512 30 10 CJEE CCCCCCCC[C@@]1(CNCC(C)C)CCCO1 315793907 ZMTLBDIBMCHEFQ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCC1CCC(C=O)(Cc2c(F)cccc2F)CC1 316840324 MOEXQBXGTOBWGF-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2CCC(C)CC2)C1 317344414 SCFBMVBWCQIJRO-XGHPGWEVSA-N 250.426 4.988 30 10 CJEE CC#CCCC1(CNC(C)(C)C)CCCCCCC1 318297777 RVCWGDGTXNYDBF-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@@H](OCC)C1(C)C 378671200 LXCOZJVBGWUVNX-IXDOHACOSA-N 283.500 4.776 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F 398061478 HNSBKPZOSXRCMU-OLZOCXBDSA-N 283.362 4.683 30 10 CJEE C=CCCCCCC(=O)c1csc2c1CCCC2 399806007 GUUZMBWJOVUEKY-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE CCCCCCCCCCCC(=O)Cc1cnsn1 399898879 BCZXWNPQQLXZIH-UHFFFAOYSA-N 282.453 4.571 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCCCC[C@H]1O 402309778 JQFIZTVJCKZVJF-SJORKVTESA-N 268.441 4.613 30 10 CJEE N#Cc1ccc(COc2cccc(Cl)c2Cl)cc1F 403996986 APXRGITVLFLPHT-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1ccc(CC)cc1 410351835 GDLHKYINMBWLFH-UHFFFAOYSA-N 293.410 4.549 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC)c1ccc(F)cc1F 466424866 HMOGKTADIAXRTQ-WBMJQRKESA-N 295.373 4.525 30 10 CJEE CCCOc1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 512648259 MBCYGPZJZBAKPM-CYBMUJFWSA-N 298.361 4.659 30 10 CJEE C=CCC[C@H](NCc1c(C)nsc1C)c1ccccc1 583211562 BYCFFTHDWOTVBR-KRWDZBQOSA-N 286.444 4.557 30 10 CJEE C#CCCCCC[C@H](O)c1cc2cscc2s1 686674769 UUERUVPLRHSSIX-LBPRGKRZSA-N 264.415 4.580 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(F)c2ccccc12 686676389 UDENOXDPWRVRFS-SFHVURJKSA-N 270.347 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CCC1CCC(CN(C)CCCCCCS)CC1 2072672578 UJLPJKYXDITXPS-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CC[C@@](C)(C#N)CC1CC2(C1)C(F)(F)C21CCC1 2074475440 VIXXMHHNMYGIAZ-MBHSVXNSSA-N 253.336 4.532 30 10 CJEE CCCCCCCCCCN(C)Cc1ccsn1 2075041467 AFQZJILUUTWXGC-UHFFFAOYSA-N 268.470 4.716 30 10 CJEE CC#CCCCC[C@H](NCC)C(CCC)CCC 2075368444 SXPQOKCCDBRLIO-KRWDZBQOSA-N 251.458 4.765 30 10 CJEE C=C1CCC(C[C@@](N)(c2cccs2)C(C)C)CC1 2075820805 NRWMPBAHHYZPGI-INIZCTEOSA-N 263.450 4.695 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2C[C@](C)(F)C2)CC1 2077719433 MVGPXXFACOYHQP-OIBGERBOSA-N 254.389 4.546 30 10 CJEE CCC[C@@H](CS)CN(C)Cc1cc2sccc2s1 2084719927 RVCJAHMLOKRRDN-LLVKDONJSA-N 299.530 4.741 30 10 CJEE C=CCCCCCCN1CCC[C@@H](SCCC)C1 2085858186 HJASMUGYFVGZHG-MRXNPFEDSA-N 269.498 4.731 30 10 CJEE C=CCCCCCCCC[C@H](N)C[C@@H](C)C(F)F 2086259977 UWSBVYWLECLASP-KGLIPLIRSA-N 261.400 4.912 30 10 CJEE CC[C@H]1C[C@H](C)SC(=NCCCCCCC(C)C)N1 2087221350 ZWLHHVMNJBREID-GJZGRUSLSA-N 284.513 4.843 30 10 CJEE CCCCCCC[C@@H](O)c1cccc([Si](C)(C)C)c1 2087491122 NPTJSFYSGOBKDU-QGZVFWFLSA-N 278.512 4.626 30 10 CJEE C=C(C)CCCN[C@H](C)c1ccc(C(F)(F)F)cc1 2088210707 PFZJSTMYIFZSIK-GFCCVEGCSA-N 271.326 4.712 30 10 CJEE CC[C@@H](C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)C 2088620664 XSCXCCZEOPTQJT-MNOVXSKESA-N 298.213 4.852 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2090805979 LUOPNXAPQBFEAW-KBXIAJHMSA-N 274.395 4.779 30 10 CJEE CCCCCCCC(=O)[C@H](O)CCC1CCCCC1 2091044612 MYVIQBWCCYHQNX-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](O)(CC)C(C)(C)C 2092173085 ILCSYQIGIKSBAJ-RDJZCZTQSA-N 271.489 4.512 30 10 CJEE O=CC1(C[C@H]2CCCC[C@H]2C(F)(F)F)CCCCC1 2092591494 USFHACQZZBHFBO-CHWSQXEVSA-N 276.342 4.895 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCC[C@H]1C(F)(F)F 2092595815 WTQSYDHCZYSTFU-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@H]1CSc2ccccc21 2093009275 SZUWTXQLOQSCDK-GUYCJALGSA-N 271.429 4.986 30 10 CJEE CCCCCCCCCC[C@@H](Cc1cscn1)NC 2096232324 RGWTZNSARUOOLD-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=CCC[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC 2096542829 QOLGYJWYGHPALJ-KSZLIROESA-N 257.421 4.515 30 10 CJEE C=C([C@H](NCC)[C@H](CC)c1ccccc1)C(C)(C)C 2096625946 WCSMQRQWPGMJIO-SJORKVTESA-N 259.437 4.761 30 10 CJEE C=C([C@H](NCCC)c1cc(F)cc(F)c1)C(C)(C)C 2096626982 FGBAJJOKCNNTMK-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE CCCCCCC[C@](C)(N)c1coc(C(F)(F)F)c1 2098490228 DOSDTJNJGGKWDF-ZDUSSCGKSA-N 277.330 4.833 30 10 CJEE CCCCCCC[C@@H](N)c1nc2c(s1)CCCCC2 2098547279 UNYOSEGADOLSKF-CYBMUJFWSA-N 280.481 4.772 30 10 CJEE CCC(C)(C)C[C@@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2100884443 ZKZCSXCGERGCHJ-PBHICJAKSA-N 265.441 4.674 30 10 CJEE C[C@@H]1CCO[C@@H]1CC[C@]1(C#N)CCCC(C)(C)CC1 2101089618 VIJOCQURLYEUEU-BFYDXBDKSA-N 263.425 4.692 30 10 CJEE CCCCCCCCCN[C@H]1CCCc2occc21 2104175187 DJKONYWUVZKOJC-INIZCTEOSA-N 263.425 4.997 30 10 CJEE CCCCCCCCCC[C@H](N)c1nc(C)oc1C 2104218378 ZKONATHDDCDTGY-HNNXBMFYSA-N 266.429 4.822 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H](C)O1)NCC 2104803677 XGBDXLMGPZORRD-BBWFWOEESA-N 269.473 4.673 30 10 CJEE N#Cc1ccc(NC2(C3CC3)CCCCC2)c(Cl)c1 2104866838 FLSIPTLMDKBONJ-UHFFFAOYSA-N 274.795 4.736 30 10 CJEE C=CC[C@@H](CNCCC)Cc1cc(C(F)(F)F)cs1 2104937055 RLJMAUYKDSJUGH-LLVKDONJSA-N 291.382 4.501 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCO[C@H](C)C1 2105303375 LMRDLHJPJNTDAQ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc(C(F)(F)F)ns1 2107911980 VOGZRPGVEOYZAI-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cccc(C(F)F)c1 2107922030 IVELTIXDFYGVDK-WFASDCNBSA-N 267.363 4.877 30 10 CJEE C=C([C@H](C[C@@H](C)c1ccccc1)NCC)C(C)(C)C 2107924573 KYMPEZPZQYEDCF-PBHICJAKSA-N 259.437 4.761 30 10 CJEE CCCC[C@](C#N)(CC)[C@@]1(O)CCCC(C)(C)CC1 2108214735 YNJBZWDEKHUXSS-DLBZAZTESA-N 265.441 4.818 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CCC1(C)C 2108234264 NLWQZQHHCKULMG-JKSUJKDBSA-N 268.489 4.785 30 10 CJEE N#C[C@@]1(Cc2cc3ccccc3s2)CCC(F)(F)C1 2108719843 NREAYCBCZYAMCM-CQSZACIVSA-N 277.339 4.773 30 10 CJEE N#Cc1ccc(Cl)cc1OC[C@@H]1CC12CCCCC2 2109421982 IHBKJRDIBCOEFS-ZDUSSCGKSA-N 275.779 4.561 30 10 CJEE N#CC[C@@H]1CCC[C@]2(CCCCC23CCCCC3)O1 2110035611 PYRKYGRRVCFGRG-RDJZCZTQSA-N 261.409 4.732 30 10 CJEE C#CC(C)(C)C[C@]1(CNCCC)CCCC(C)(C)C1 2112246637 VUSPQTWKNCMHCJ-GOSISDBHSA-N 263.469 4.622 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H](O)c1cccc(Cl)c1 2113449980 PLVHQWKKFOFULU-HZPDHXFCSA-N 282.811 4.549 30 10 CJEE CN(CC1(CS)CCC1)C1CCC2(CCCC2)CC1 2114954741 WKEGWVAXMWJSPQ-UHFFFAOYSA-N 281.509 4.521 30 10 CJEE CCC[C@@H]1CCSC(=NCC2(C)CCCCCC2)N1 2116017631 FNTUQHLLLWYFLH-CQSZACIVSA-N 282.497 4.598 30 10 CJEE C[C@H]1C[C@H](C)SC(=NCC2(C)CCCCCCC2)N1 2116018295 OENPQVBMHFYYQV-KBPBESRZSA-N 282.497 4.597 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)([C@H]2CCCC[C@@H]2F)C1 2118845396 DPXSYXRHWRFTND-KBPBESRZSA-N 268.416 4.936 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cncc(Cl)c1 2119316425 HVBHAMSVNQBXNK-WOSRLPQWSA-N 278.827 4.521 30 10 CJEE CCCCCCCCCCCCCc1nnc(O)o1 2121350717 OQTHWXLPDLAEDT-UHFFFAOYSA-N 268.401 4.629 30 10 CJEE CCCCCCCC[C@H](NN)C1=CC[C@H](CC)CC1 2125191184 FBSWYIIQKAMRKL-RDJZCZTQSA-N 266.473 4.705 30 10 CJEE C=CC[C@](C)(Nc1cc(Cl)c(N)cc1C)C(F)(F)F 2125765534 IYUSPMMTHIDVBL-LBPRGKRZSA-N 292.732 4.540 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CCCC(F)(F)C1 2128435045 QWNIQIAWWJZMSF-GJZGRUSLSA-N 273.411 4.640 30 10 CJEE N#C[C@]1(CC2(F)CC3(CCC3)C2)CCCC(F)(F)C1 2128441176 BRHHBZVEJVNHCF-ZDUSSCGKSA-N 271.326 4.768 30 10 CJEE CC1(C)CC[C@]1(C#N)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2131997080 YKCAXXYJKUMMQQ-LSDHHAIUSA-N 298.213 4.531 30 10 CJEE C#CC[C@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CC1 2132067195 ZUBBQQIVXXCHEO-HOTGVXAUSA-N 296.241 4.836 30 10 CJEE CCc1ccc(C#N)c(Oc2cccc(C)c2C)c1 2132308803 BOPRCBOVCLAOBK-UHFFFAOYSA-N 251.329 4.530 30 10 CJEE C=CC1(CN[C@H]2C[C@@H](C)CC(C)(C)C2)CCCCC1 2132976685 YYJAOZNDRUMKDC-CVEARBPZSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCOC12CCCC2 2133778544 JHWWYAIZHCMLRG-OAHLLOKOSA-N 266.425 4.655 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@H]2CC[C@H]3C[C@H]32)C1 2134445125 MGRMNTYYSTZMBV-SOUVJXGZSA-N 262.437 4.844 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC1(C(F)(F)F)CCC1 2134783787 UEJBWETXRAAADE-CQSZACIVSA-N 276.342 4.895 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1CCCCCC1(F)F 2138911898 IBFIBHJWGWWQKH-LSDHHAIUSA-N 272.379 4.537 30 10 CJEE CCCCCC#CC[C@@H](N)[C@@H]1CCCCCC1(F)F 2138955709 CQNZVLQTDMEJOZ-LSDHHAIUSA-N 271.395 4.503 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1cccc(C)c1Cl 2138961802 SCPDGIXXPRKMEX-CQSZACIVSA-N 282.811 4.553 30 10 CJEE CCCCC#CCC[C@@H](NCC)c1ccc(Cl)cc1 2138980633 FQLVDWOMIOHPJK-QGZVFWFLSA-N 277.839 4.964 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cccc(C)c1F 2141904438 BIOSORZFYVLRCB-MRXNPFEDSA-N 263.400 4.921 30 10 CJEE C=CCCCCCCOc1cccc(CNC)c1Cl 2141916799 OTHCNAGIPBZKAK-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE C=CCCCCCCCCC[C@H](CCC1CC1)NN 2142447967 LDXCAWVVORJSTN-QGZVFWFLSA-N 266.473 4.705 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C=C1CCCCC1 2142459892 ZTJFJHJRRVGHBX-INIZCTEOSA-N 266.425 4.558 30 10 CJEE CCCCCCCCCCCCN(C)C1(C)COC1 2143182269 ILQQDRBMNBIDJY-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE COc1ccc(C#N)c(Oc2cccc3ccsc23)c1 2144679825 BXCFYONFLQRVNP-UHFFFAOYSA-N 281.336 4.574 30 10 CJEE CC1(C)CCC(CC#CC2CC2)(CNC(C)(C)C)CC1 2146390742 BYTSPHQFHASJJV-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)C[C@H]2CC[C@H]1C2 2147040837 IPMAUNTWJYXKTQ-BQFCYCMXSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NCC)C(C)(C)CC 2147468905 LGIKAWAIRZEHCU-DLBZAZTESA-N 285.516 4.902 30 10 CJEE N#C[C@@]1(CCSC2CCCC2)CCCc2ccccc21 2149126569 HVVDJYICDJXLOX-SFHVURJKSA-N 285.456 4.850 30 10 CJEE CC(C)(CC[C@@]1(C#N)CCc2ccccc21)C(F)(F)F 2150423694 VBAYHAXLOGYJKP-OAHLLOKOSA-N 281.321 4.763 30 10 CJEE CC(C)C[C@H](C)[C@H](C)N=C1NC2(CCCCC2)CCS1 2153921185 MAUBPRVNYOYTNL-GJZGRUSLSA-N 296.524 4.843 30 10 CJEE CC1(C)CCC(C#N)([C@]2(O)CCCCC23CCC3)CC1 2154081796 NALOEAGXJSQDDP-SFHVURJKSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCC[C@H](N)c1cncn1CCC 2154651192 QBQHEDJZBMGUOY-INIZCTEOSA-N 279.472 4.824 30 10 CJEE CCO[C@@H]1C[C@@H]([C@]2(C#N)CCCC(C)(C)CC2)C1(C)C 2157120393 MBXXVJVGTQDOBV-IIDMSEBBSA-N 277.452 4.938 30 10 CJEE CCC1(OCc2cccc(Cl)c2C)CCC(=NO)CC1 2161467632 NMLZHQDPOINFQI-UHFFFAOYSA-N 295.810 4.718 30 10 CJEE C=CCOc1ccccc1[C@H](NCCC)[C@H](C)C(C)C 2164191652 OQXGKRKLNIMSRZ-CRAIPNDOSA-N 275.436 4.584 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc2nc(C)ccc2c1 2164266613 VEKAETOPTHHXGC-QGZVFWFLSA-N 288.822 4.727 30 10 CJEE C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)c1ccc(C#N)c(Cl)c1 2168522106 CQFRDQQXUIHOTQ-RDBSUJKOSA-N 290.838 4.863 30 10 CJEE CC1(C)CCC[C@@](C#N)(C2(O)CC(C)(C)C(C)(C)C2)C1 2168554758 IHIOOCGLMUHQQI-QGZVFWFLSA-N 277.452 4.674 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@@H]3CCC[C@H](C)C3)C[C@@H](C1)C2 2168634801 HEJWTYBNSZHATC-SSQSRCMGSA-N 275.480 4.926 30 10 CJEE CCCCCCC[C@@H](O)C(=O)C[C@@H]1CCCC2(CC2)C1 2169085603 OYCSINLIGDWXRD-JKSUJKDBSA-N 280.452 4.637 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H](O)c2ccccc2Cl)C1 2169746146 YALJVLLISBNGGT-NVXWUHKLSA-N 294.822 4.549 30 10 CJEE CC(C)C[C@@H]1CSC(=NCC2(C)CCCCCCC2)N1 2172661062 BONJDRPFSJVTBC-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(N)CC(F)(F)F 2175188484 OSQIDSXCGSOERJ-CQSZACIVSA-N 295.389 4.756 30 10 CJEE CC1=C(C)C(=O)[C@@H](Cc2csc(C3CCCC3)n2)CC1 2175713687 OSGOXPNNKTXWPV-CQSZACIVSA-N 289.444 4.659 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](C)(O)CCC(F)F 2177872560 SCKQTLDKWXYRGN-HOCLYGCPSA-N 293.442 4.511 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CCc3ccccc3C2)C1 2178408976 DFFXKGGYCRRQRR-GJYPPUQNSA-N 267.416 4.902 30 10 CJEE CCCC1CC(N=C2NC3(CCCCCCC3)CS2)C1 2180047806 MAOQDPZSILDWJE-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CC[C@@]3(C2)CC3(F)F)CC1 2181644469 KDYPEENGDLAULR-XNRPHZJLSA-N 282.374 4.764 30 10 CJEE CCCc1ccccc1C[C@@]1(C#N)CCCC(F)(F)C1 2184843948 HBRIKGLSXWTGPX-INIZCTEOSA-N 277.358 4.901 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CCOC[C@H]1F 2186828955 FGOBJRBWCNWOCH-SJORKVTESA-N 287.463 4.753 30 10 CJEE CCc1ccc(C#N)c(NC[C@H]2CCCC23CCC3)c1 2188845805 ZJNJCUHPCZSXFI-MRXNPFEDSA-N 268.404 4.503 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C12CC(CO1)C2 2193099606 MUEBKRWKZXOYNM-LXPRWKDFSA-N 281.484 4.674 30 10 CJEE CC#CCCC[C@@H](NCCC)c1scc2c1CCCC2 2194068568 WCXGCTGEKDLQGQ-QGZVFWFLSA-N 289.488 4.861 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CCCCCC 2196737689 SKYVZFZSVQFXFR-SFHVURJKSA-N 284.532 4.967 30 10 CJEE C#CC[C@H](C[C@H](NCCC)C1(CC(C)C)CC1)C1CC1 2196856460 GYHAEGHMASWVLO-MSOLQXFVSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@H]1CCC(C)(C)[C@H](NCCC)C1)C1CC1 2196858467 ZKJCQUIJDGRIPQ-KBAYOESNSA-N 275.480 4.621 30 10 CJEE CC1(C)CC[C@]1(C)Nc1ccc(C(F)(F)F)c(C#N)c1 2197285594 NVSPSHRURUDPJQ-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE C=C1CC(CNC(C)C)(C[C@H]2C[C@H]2c2ccccc2)C1 2200334032 PUBQBXVHVRNZBL-MSOLQXFVSA-N 269.432 4.515 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1CCCSCC1 2203791026 KPNYYIZRZOTJBC-MSOLQXFVSA-N 295.536 4.862 30 10 CJEE CCCCC#CC[C@H](CC1CC(C(F)F)C1)NCCC 2203809287 FFISOGHGGBIXQM-UYSNPLJNSA-N 285.422 4.620 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H]1C 2206890104 DYRZXWGCCWGKFC-FJIDUMEYSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2206897406 MOKKIZRBSHQGDH-BZUAXINKSA-N 285.422 4.736 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@]1(CC)CCCO1 2206902510 KVYCKQRXOGHHIH-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN(C)C[C@@H]1CO[C@@H](C)C1 2207381088 FYQJRHWDYNXREN-ZWKOTPCHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1CCOC[C@H]1C 2207406642 ZJDMTIKLQYNOCC-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CCCCNCC 2207425921 VZXXAKPZUZVYII-GOSISDBHSA-N 283.500 4.824 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CC12CCCC2 2207432417 OUXKCLWKWNIONH-SJORKVTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCCCN(C[C@H](O)CC)C1CC1 2207434517 DAAICTWKFBMQCA-GOSISDBHSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1ccc(F)cc1 2207438011 QDUAZNKUSLDZTG-QGZVFWFLSA-N 278.415 4.637 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H](O)CCCCCCCC 2207457143 NBFLJKWUOLZZJT-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCC[C@](C#N)(CSc1ccc(C(C)C)cc1)NCC 2207594809 JRGWRFCXHYNFAU-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE C=CCCN(C/C=C/c1ccccc1)Cc1ccccc1 2209562173 ALXCHUFSSJXAHO-XNTDXEJSSA-N 277.411 4.778 30 10 CJEE CCCCCCCCC[C@H](NCC)P(C)(C)=O 2215715282 INBJVKYCMGCUPL-CQSZACIVSA-N 261.390 4.685 30 10 CJEE C=CCCCCCCCNCC1(CC(C)C)CC1 2220084718 LZSFNQNXCYJAOQ-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCC(CS)(CCC)CO[C@H]1CCC(F)(F)C1 2222455444 NWSCHXUICMWJOK-LBPRGKRZSA-N 280.424 4.707 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C(C)(C)C1(F)F 2223847760 HYSZBYYLAMAEFY-QWHCGFSZSA-N 261.400 4.759 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1ccccc1C#N 2226054738 VIQFDIGTNNPWTO-KRWDZBQOSA-N 259.393 4.932 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCCC[C@H]1C 2227281950 IOOXCLPHYXBSQD-ZACQAIPSSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCN(C)Cc1ccccc1C 2227283198 YSUJAKSAFLYKOX-UHFFFAOYSA-N 259.437 4.953 30 10 CJEE C=CCC[C@H](C)N(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2230668547 DJZMUYATJSWVNF-XWTMOSNGSA-N 263.469 4.879 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@H](NC)[C@@H]1C 2230982954 VPOHVHQIPJKRJY-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C(CC)COc1ccc(Cl)cc1CN[C@@H](C)CC 2231571010 CLSQRQQYMQJXOP-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@@](C)(CNCCC)OC(C)C 2231856693 PPJNUWZZMNPWIK-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H]1OCC[C@@H]1C 2231926107 QXOLLHXCUGRXOJ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCC(F)(F)C(F)(F)F 2231942898 YHGGEFSBFMOUFP-LLVKDONJSA-N 289.332 4.913 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2232570315 OVLJNKSKPLRXDX-KFWWJZLASA-N 289.385 4.527 30 10 CJEE C#CCCCC[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2233639426 MQSRSJRPCJHGJD-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE CCCC#C[C@@H](NCCC)C1CC2(C1)CC1(CCC1)C2 2233782282 MOMHBIVFGFIYTN-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCc2cccnc21 2235512247 BCPVOMRWDXTCAC-SFHVURJKSA-N 273.420 4.522 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1[C@@H]2[C@@H]1CCC2(F)F 2235517987 BWSCEBKSLNFZKR-UGUYLWEFSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@]1(N)CCc2ccccc2C1 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CCCCCCCCC[C@@H](NC)[C@@H]1Cc2ccccc2O1 126431223 SWMILRYHQCFSFS-MJGOQNOKSA-N 289.463 4.719 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1C)c1ccccc1F 127299769 NRWFTAHBJHWWHY-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(Cl)c(C)c1 130043548 JJPUEJIVRNADBD-HNNXBMFYSA-N 268.832 4.513 30 10 CJEE Cc1cc(Sc2ccc3c(c2)CCC3)ccc1C#N 133532117 GNSDVJHYLVANLA-UHFFFAOYSA-N 265.381 4.507 30 10 CJEE CCCCCCCCCCCCCC(=O)N1CCC1 138794229 BNFPVVINQHCLIP-UHFFFAOYSA-N 267.457 4.920 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1ccc(C(C)(C)C)cc1 158828572 MUFQTUKSBGYRRC-LJQANCHMSA-N 273.464 4.717 30 10 CJEE C=C[C@](C)(CCSc1ccccc1)CNCC(C)C 158968379 OKUUOJUFZKKMIP-QGZVFWFLSA-N 277.477 4.607 30 10 CJEE CCCCCCCCC[C@H](O)c1c(OC)cnn1C(C)C 159574661 XJTONSTYHSUJOZ-HNNXBMFYSA-N 296.455 4.647 30 10 CJEE CCCCCCCCNc1ccncc1Br 159869256 UZJOKTPRVFCRBI-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC 164936889 JCPRIJVXDGWOLE-BBWFWOEESA-N 251.458 4.785 30 10 CJEE N#C[C@@H]1CCCC[C@H]1SCc1ccc(Cl)cc1 165997328 IFFYEEJLGMIQPV-GXTWGEPZSA-N 265.809 4.656 30 10 CJEE C=CCCN[C@@H](CC)c1ccc(Cl)cc1Cl 168549922 SXDILVCSLSKPQL-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(Cl)c1Cl 203443067 MTHQLMUCGPSWIZ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cccc(F)c12 212722439 MAUSQELYLINQNN-UHFFFAOYSA-N 261.340 4.850 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 215059434 RJDJZDCTQFIYNE-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCC[C@@H](C)COc1c(/C(C)=N\O)ccc2ccccc12 215134401 FXGLDDNFYYVSHD-ZDKYXOAUSA-N 285.387 4.853 30 10 CJEE Cc1cccc(C#N)c1SCc1ccccc1Cl 221503771 SFGRIKMPJAYQPK-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE CCCCCCCCCCNCCNCc1ccccc1 224564057 KXBFKBWSKZJHIZ-UHFFFAOYSA-N 290.495 4.507 30 10 CJEE CCCCOc1ccc(C(=O)C=C(SC)SC)cc1 224808541 PWKHMMXKZVYSFR-UHFFFAOYSA-N 296.457 4.616 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCCCN1 226520343 MHJRVYPHWPBBRR-MRXNPFEDSA-N 267.457 4.619 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(C(F)F)c2)C1 228430673 VBDXPTWTKAOZLL-ISTRZQFTSA-N 293.357 4.768 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OC(C)C)c(Cl)c1 228822105 LBORJBMSASUCQY-LBPRGKRZSA-N 267.800 4.894 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCO[C@@H]1CC 232916897 PJPTZHZJNMPVJF-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(Cl)o1 232925838 QMGITGKMOLLWRN-LBPRGKRZSA-N 272.820 4.578 30 10 CJEE CCCCCCCCCCCCN1CC[C@@](C)(CN)C1 232933373 ZXUSWPNEAKIQFX-SFHVURJKSA-N 282.516 4.578 30 10 CJEE CCCCOc1ccc(C=Nc2ccc(C)cc2)cc1 254818271 DAZXLRVNORTXSI-UHFFFAOYSA-N 267.372 4.925 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(C)c(C)c1 308055145 MFVCVHSXJDQXRN-DOTOQJQBSA-N 271.404 4.552 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2c(Cl)cccc2[N+](=O)[O-])C1 312226488 CJNAXCJORGIVKY-IAQYHMDHSA-N 292.766 4.610 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C#N)CCc3ccccc3C2)C1 312436562 BCGSBRWRCWNZDR-SFUIVIKGSA-N 267.416 4.758 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CCc2ccccc21 317802341 GKKGHQMZHWINTL-LJQANCHMSA-N 271.448 4.615 30 10 CJEE CCCCCCCCCCC(=O)CN1CCCCC1 328249507 IUFKDCGRMLERCV-UHFFFAOYSA-N 267.457 4.572 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@@H](O)C1CCC(C(C)(C)C)CC1 384761399 ANSUMAYDQCQJAA-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE C=C(C)CCN[C@H](Cc1ccccc1)c1ccccc1 387437877 PDFKZWRINQACFD-LJQANCHMSA-N 265.400 4.526 30 10 CJEE CC[C@H]1CC[C@](C#N)(CCCCC2CCOCC2)C1 388915408 OBUVJTJABODCQU-DOTOQJQBSA-N 263.425 4.693 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)c(C)cc1F 395786736 AELZVXRQYVPAPX-INIZCTEOSA-N 251.389 4.803 30 10 CJEE CCCCCCCCCCCCNCC1(N(C)C)CC1 397966723 GJIUPVSZKZESIQ-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE C=CCCC[C@H](C)N[C@H]1c2ccccc2CC1(C)C 398205553 XXXAZIQZIVMROY-YOEHRIQHSA-N 257.421 4.644 30 10 CJEE CC(C)[C@]1(C)CS/C(=N/[C@@H]2CCCCC23CCCC3)N1 398560733 RFZPPEGHCNJLTD-ZBFHGGJFSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(F)c1C 399060581 IWBCDPYFJBXRON-INIZCTEOSA-N 251.389 4.885 30 10 CJEE C=CCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1NCCC 403474289 UWGVDJDLZARENC-IXDOHACOSA-N 281.484 4.552 30 10 CJEE C#CCCCCCN(C)[C@@H](C)c1ccc(Cl)cc1 686681494 SEKKEQHYYAEZKU-AWEZNQCLSA-N 263.812 4.526 30 10 CJEE CC(C)OCCC1(C#N)CC(C)(C)CC(C)(C)C1 688336483 UGDUWOTXOLEHJQ-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE CC[C@@H](CC(F)F)C[C@]1(C=O)CCCc2ccccc21 688768880 XGFQFSKBZNOVOM-GUYCJALGSA-N 280.358 4.531 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCCC[C@H]2CC)C1 691104029 NIVVNEBASOZRCI-ZJPYXAASSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1Cl 692205018 OBDULBCWUGQNKJ-WBMJQRKESA-N 281.802 4.704 30 10 CJEE CCCCCCCCCCNC[C@H](C)c1ccccn1 692943288 ZWRRWPBPPWVPNJ-KRWDZBQOSA-N 276.468 4.915 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCC23CCCC3)cc1 694420300 SSDMVLWJSJYWJB-MRXNPFEDSA-N 268.404 4.622 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1cc(Cl)ccc1F 695713637 LPTPGCZVBNJIEX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCSCCN[C@@H]1CCC(C)(C)c2ccccc21 696063990 WBCYWGOGSQWUNJ-QGZVFWFLSA-N 289.488 4.698 30 10 CJEE CC[C@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C(C)C 698357670 GKGLKEFKAVGJBO-YOEHRIQHSA-N 296.455 4.740 30 10 CJEE CC(C)CN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC(C)(C)C 698842562 UEROTNWUSMHJPS-QGZVFWFLSA-N 296.455 4.598 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(N)CCC[C@H](C)C1 702887570 GRSMWDKKKVUQPC-OKZBNKHCSA-N 283.500 4.786 30 10 CJEE CCCC1CCC(C#N)(Cc2ncccc2Cl)CC1 703883307 WGZSBUSTNFKASJ-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@H]1CCCC[C@H]1C 704951189 YXDTZUZQRLTIDH-OSAQELSMSA-N 277.795 4.782 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H]2CCCCC[C@@H]21 708310268 KXHHEOLCWGIADG-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)[C@@]12CCCC[C@H]1C2 709190766 SPQOSWIKWVCZQN-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716498892 VXOBVPAXZZUATE-UTSKFRMZSA-N 251.458 4.617 30 10 CJEE CCCCCCCCC(=O)C[C@H]1CC(C)(C)CO1 717028656 PKBFVEUTGRVVHX-HNNXBMFYSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCc1nc(CC(=O)OCC)cs1 720998733 JDKWHRBYIBYZFG-UHFFFAOYSA-N 297.464 4.542 30 10 CJEE Fc1ccc(C#Cc2c(F)cccc2Cl)cc1Cl 725434521 XUTTYILOOXSXIM-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCC[C@H](C(=O)O[C@@H](C)c1ccco1)c1ccccc1 778697396 KYUWBBCAUCWQFO-HOCLYGCPSA-N 284.355 4.634 30 10 CJEE C(=Nc1ccccn1)c1c(-c2ccccc2)[nH]c2ccccc12 1084307148 GUWOCGFUXBHEPR-UHFFFAOYSA-N 297.361 4.981 30 10 CJEE C=CCC(CC=C)C(=O)Oc1cccc2ccccc12 1124316200 CTUDAYVYUGBUDF-UHFFFAOYSA-N 266.340 4.514 30 10 CJEE C=CC1(CC(=O)N[C@H](CC)C2CCCC2)CCCCC1 1128866272 KJBRFZBIARUKML-MRXNPFEDSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)CCCCC1 1130743830 OATIUSUNPMJOKD-HZPDHXFCSA-N 291.479 4.702 30 10 CJEE C=CCCCN(Cc1ccco1)c1ccc(C)c(C)c1 1167943138 NWIZDLGPXDBLDW-UHFFFAOYSA-N 269.388 4.869 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc(OC)c3ccccc3c2)C1 1206599051 ZWMJKKWSJZHOAC-INIZCTEOSA-N 295.426 4.637 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 1229653194 OBBWLRNXVMTXAV-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C#Cc1ccc(NC(=O)[C@](C)(CC)CCCCCC)cc1 1289618057 XLYMTEWNYARJFQ-LJQANCHMSA-N 285.431 4.993 30 10 CJEE C=C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1)c1ccccc1 1296727430 DAQIQCBISBCASG-QRQLOZEOSA-N 299.458 4.677 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2ccc(OC(F)F)cc2)C1 1307915575 WCFASZUYUJUWGL-KGLIPLIRSA-N 295.373 4.637 30 10 CJEE CC1(C)CCC(=Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 1345512192 FHQUDMJUHAXTDH-UHFFFAOYSA-N 293.370 4.592 30 10 CJEE C=CCN(c1ccccc1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1349733854 LNHNFTADLIZENP-IYARVYRRSA-N 297.442 4.812 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H]1CCCCC1(C)C 1438259189 MVRQNDCEVQAIBE-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C#C[C@@](C)(CC)NCc1c(OC(C)C)ccc2ccccc12 1473488838 SPFYONGIMVCYLP-FQEVSTJZSA-N 295.426 4.519 30 10 CJEE C#Cc1ccc(CNCc2ccc(C(C)(C)CC)cc2)cc1 1474082301 OSQOZAROLPKHNA-UHFFFAOYSA-N 291.438 4.645 30 10 CJEE C=CCC1(NC/C=C/c2ccc(F)cc2F)CCCCC1 1474147183 YNABRHUNYPXCCD-VOTSOKGWSA-N 291.385 4.847 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(Nc2ccccc2)cc1 1540694061 DGILBXSRXWJGJW-OAHLLOKOSA-N 294.398 4.971 30 10 CJEE C#CCCCCCCN(Cc1ccco1)c1ccccc1 1559630977 MZQHWBQXGRIBSG-UHFFFAOYSA-N 281.399 4.870 30 10 CJEE C#Cc1ccc(CNc2cccc(C(F)F)c2Cl)cc1 1560434713 HXHZVLHVLYEPQR-UHFFFAOYSA-N 291.728 4.871 30 10 CJEE C=CCCSCCNC/C=C\c1cc(C)c(C)cc1C 1560526358 NKJVROPZSBCVER-FPLPWBNLSA-N 289.488 4.524 30 10 CJEE C=CCC1(CNCC[C@@H](C)c2ccccc2)CCCC1 1560831463 PSHLYYFRDRRTGQ-QGZVFWFLSA-N 271.448 4.906 30 10 CJEE C=C1CCC(CNc2nc(-c3cccc(C)c3)ns2)CC1 1612875367 ZETVHAKFTWJIDU-UHFFFAOYSA-N 299.443 4.672 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 1618139554 BNDPMCGSFXXNCK-UHFFFAOYSA-N 289.419 4.534 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CC[C@H]1C1CCCC1 1624138276 CEULKJGVAZNGRX-SFHVURJKSA-N 298.430 4.602 30 10 CJEE C=CCCN[C@H](c1cccc2ccccc12)C(F)(F)F 1642681207 BTIPXIOWZSGUIO-OAHLLOKOSA-N 279.305 4.609 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCC(c2cc(C)ccc2C)CC1 1646473760 DLIXNUCMFQZHMU-FQEVSTJZSA-N 299.458 4.612 30 10 CJEE C=CCN(C/C=C/c1ccc(F)cc1)Cc1ccccc1 1651814067 JGZQTGOVFNIRGD-RMKNXTFCSA-N 281.374 4.527 30 10 CJEE C#CCCCCCCN[C@H](c1ccccc1C)C1CC1 1653896586 LHEXJRZCKXIGAI-IBGZPJMESA-N 269.432 4.619 30 10 CJEE C=C(C)CCN1CCCC[C@@H]1c1cccc(C)c1C 1657406891 MJJJNJLYXLUDMZ-GOSISDBHSA-N 257.421 4.797 30 10 CJEE C#CCCCCNCc1ccc(-c2ccccc2)c(Cl)c1 1661908719 HVYISAJFGUTWJB-UHFFFAOYSA-N 297.829 4.900 30 10 CJEE C=CCCCC[C@@H](C)NCc1ccc2[nH]c(C)cc2c1 1664636022 VXIRIDFABQVEPM-CQSZACIVSA-N 270.420 4.701 30 10 CJEE C=CCC1(CN[C@@H](CCC)[C@H]2CC2(C)C)CCCC1 1664711715 BPGGUILFXQOFDT-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=C(C)CCN[C@@H](C)[C@H](C)c1ccc(CC(C)C)cc1 1664776460 YQICVXNBQIQJDZ-IRXDYDNUSA-N 273.464 4.933 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C(C)(F)F)on1 1878115035 ONRONFYJFUGGJN-LLVKDONJSA-N 274.355 4.537 30 10 CJEE CCC(C)(C)[C@](C)(O)C1(C#N)CCC(C(C)C)CC1 1878585071 VDMOUNUWRQKVNU-WIHSUSGWSA-N 265.441 4.530 30 10 CJEE CC#CCCCCC(=O)c1cc2c(s1)CCCCC2 1885367505 JDFJIQJMQUSWAP-UHFFFAOYSA-N 274.429 4.783 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1csc(C2CC2)n1 1886639467 QAVYGIOPVZWAAL-UHFFFAOYSA-N 298.455 4.599 30 10 CJEE C#CC[C@H](C)C[C@H](C[C@H](C)CC(C)(C)C)NCCC 1887474209 FHKAQHPOYZGPMZ-YESZJQIVSA-N 265.485 4.867 30 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C=C(C)CCCC[C@H](O)c1cccc(OC(C)C)c1 2271789382 WWDQZZKIYGQIAT-KRWDZBQOSA-N 262.393 4.644 30 10 CJEE CCCCCCCCCOCC[C@H]1CCCC[C@@H]1O 2273081524 QCPFLESGMFOTKA-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCC#C[C@H](NCCC)C1CC(CC(C)(C)C)C1 2274196024 FEMAOENXWKFAKZ-JCYILVPMSA-N 263.469 4.621 30 10 CJEE N#Cc1cccc(F)c1SCC1(C(F)(F)F)CCC1 2274597241 LVFSOTCDKAZSDH-UHFFFAOYSA-N 289.297 4.522 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@@H](C)C1 2276784934 NSEBIQLBOGLNGB-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CCO)C(C)C 2278239938 XSVHMFFOJGUPLL-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE O=C(C1=CCCCCCC1)c1nc(C(F)(F)F)cs1 2278633088 SDXXISYNFSFJSY-UHFFFAOYSA-N 289.322 4.625 30 10 CJEE Cc1cc(N[C@H]2CCCC(C)(C)CC2)cc(C)c1C#N 2280561642 BAIKPXHKGVPYRG-HNNXBMFYSA-N 270.420 4.946 30 10 CJEE Cc1cc(N[C@@H]2CC(C)(C)CC[C@@H]2C)cc(C)c1C#N 2280564792 WQIATSMTSVLOQY-YVEFUNNKSA-N 270.420 4.802 30 10 CJEE CC(=NO)c1ccc(OCC(C(C)C)C(C)C)cc1C 2283279881 PSUVIWDYXHMYNA-UHFFFAOYSA-N 277.408 4.500 30 10 CJEE CCCN[C@H]1CCCCC[C@H]1CC=CC#CC(C)(C)C 2284114148 XHHWHBCBJBRDBU-ROUUACIJSA-N 275.480 4.931 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCCc2ccccc21 2287467417 NOCXXRPMXKXZFM-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE C=CCOc1ccc([C@@H](CCCCC(=C)C)NC)cc1 2287470491 QVKMWMCMVKQEMB-GOSISDBHSA-N 273.420 4.648 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](C)[C@H]1CCC[C@H](C)C1 2287676464 YSFAUUVJKWVTEQ-XWTMOSNGSA-N 281.484 4.528 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1NC[C@@H](C(C)C)CS1 2287885271 MXDHULUYBPGWOY-HZPDHXFCSA-N 298.540 4.804 30 10 CJEE C#CC[C@@H](CN(C)CC[C@H](C)CCCC(C)C)C1CC1 2287918303 UCOJRDHSXGFQAD-MJGOQNOKSA-N 277.496 4.820 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](O)(C#CC2CCCCC2)CC1 2289614556 PLIGYKHZBPFROR-HKUYNNGSSA-N 276.464 4.928 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(F)ccc1Cl 2289673159 YTSFMGBYECKUFV-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(C)CCC(C)CC1 2289708169 AXOOZDBBTSNFAB-AVAKVYKDSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@]1(C)C=CCCC1 2289783768 CHQZQPVBBUNEDG-RTBURBONSA-N 273.464 4.685 30 10 CJEE CN[C@@H](CC#CC1CCCC1)[C@H]1CCCCC12CCC2 2289862906 DLYSTBCYBUQXGU-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@]1(C)NC2(CO1)CC(C(C)(C)C)C2 2290002731 WFFHUELVIHVEJC-IIIMJFFVSA-N 281.484 4.878 30 10 CJEE Cc1cc(C#N)ccc1NCC1CC(CC(C)(C)C)C1 2290066288 MOWZOWIINDGGSB-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCC[C@@](C)(C[C@H](C)CC(C)(C)C)OCCC(=O)O 2291616071 OKHDNRGRNNUJTB-PBHICJAKSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CC[C@@H]1CC(C)C 2291799879 STQWJKRWUJZFCW-NVXWUHKLSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1ccccc1Cl 2292710529 DJYAFPGTFHCALG-HNNXBMFYSA-N 296.794 4.619 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)c1sccc1C 2292896330 UGHUUZGJYALANL-KRWDZBQOSA-N 295.492 4.774 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(SC)cc1 2292905139 DNVSLKPLJQTSFO-KRWDZBQOSA-N 293.476 4.561 30 10 CJEE C=C1CCC(C[C@@H](OCCN)C(CC)(CC)CC)CC1 2292910291 WIZSJMITTMSCMT-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE C=CC1(C[C@H](CCCCCCCC)OCCN)CCC1 2293518258 FHDKJPMMYPMSFI-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@@H](C)[C@H]1C(C)C 2293669920 MEVFWJIJQBWSMK-KURKYZTESA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)c1ccco1 2293874501 XCEFAGPKTBRBQZ-MRXNPFEDSA-N 279.424 4.603 30 10 CJEE C=CCCC[C@]1(OCCN)CCC[C@H](C(C)(C)C)CC1 2293879245 PJRNYIZWSLIWPN-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]2C[C@@H]2C1 2293928515 WVVRGCQXOMIPDT-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE C=C(C)CC[C@@]1(OCCN)CCCC2(CCCCC2)C1 2294082527 CGDYTGGRMDOCPT-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@](C)(OCCCN)C1CCC(C)CC1 2294409651 NQDQJOXWOHGNHK-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE N#C[C@]1(c2ccc3cc(Cl)ccc3n2)CCCC12CC2 2294976863 NTBWLCMESPDYJX-KRWDZBQOSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@@H](C)NCC12COCC(C1)C2 2295681961 LKLSCRGYWMOJKA-WWDZGPRUSA-N 281.484 4.532 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(NC1CC1)C(C)C 2295712411 WYAYXZLOQHHVEC-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE C=C[C@@](N)(c1ccc2oc3ccccc3c2c1)C(C)C 2295832792 IVCPCJYFHYEMFN-SFHVURJKSA-N 265.356 4.582 30 10 CJEE C=CCN(CCCCCCCCCCCN)C(C)(C)C 2296273655 QLCDAZBDSNSWCS-UHFFFAOYSA-N 282.516 4.743 30 10 CJEE CCOc1ccc(C(=O)C=CNc2cc(C)ccc2C)cc1 2296876043 SFYRUPCCVWNALB-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CCC(CC=C)C[C@@H](N)c1ccccc1Br 2301063459 TWWFFDNOGIKVRT-OAHLLOKOSA-N 294.236 4.607 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cscc1CC 2304040514 GXWRUSAQZXWWTL-CQSZACIVSA-N 251.439 4.563 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(C)c1Cl 2304061044 BWEJQIBKUQSOLR-GJZGRUSLSA-N 251.801 4.641 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](NCCC)CC(C)(C)C1 2313644587 JIBKGTJTEDTYHP-RRFJBIMHSA-N 269.498 4.631 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCC[C@H](C)C1)NCCC 2321142680 YHGXLXYNTLHGHY-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC 2321147603 IZYJQYXUYMKWPC-NNXHMXCWSA-N 251.458 4.639 30 10 CJEE CCCN(C[C@](C)(CS)C(C)(C)C)C1CCCC1 2327162821 IXPATPCHGZSUPT-MRXNPFEDSA-N 271.514 4.623 30 10 CJEE CCCC#C[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2327878840 BWPDUORPAFZJTF-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C=CCC(CC=C)Sc1nc(CN[C@H](C)CC)cs1 2335243670 ZXPASGVQAYGRRZ-GFCCVEGCSA-N 296.505 4.644 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@H]1C[C@@H]1C1CCCCC1 2337064910 ZYUSPICWYACUDH-TVFCKZIOSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(Cl)c(F)c1 2337111140 ITOTWQBJCAYFSF-OZVIIMIRSA-N 281.802 4.875 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cscc1C(F)F 2337438645 IKSWVAJXXXRORQ-CQSZACIVSA-N 283.387 4.530 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)C)CCCC1(C)C 2338726586 CEDHPNIVBNWPAL-SFHVURJKSA-N 263.469 4.949 30 10 CJEE CCCC[C@H](CC)[C@H](C#C[C@@H]1CC1(C)C)NCCC 2339567864 MZVMKKFFYBXGRL-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=CCCCCC[C@](C)(O)c1ccc(F)c(C)c1C 2341069576 NDUVKHFBVMSRNT-KRWDZBQOSA-N 264.384 4.787 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C)CC2(CCC2)C1)NC 2344348777 NPHATLKPFRGPFC-RDJZCZTQSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@H]1C(F)(F)F)NC 2344356181 LGOQLDUCSNLSOD-MQYQWHSLSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)C(=O)CC1CC2(C1)CC1(CCC1)C2 2344378125 FJWOUVAJIDRYNC-UHFFFAOYSA-N 260.421 4.908 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1nc2ccccc2s1 2344394796 GHEMJOLKHZQZJZ-GOEBONIOSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc2cccc(F)c2o1 2344461117 XSHRYQJHJMKTTF-JKSUJKDBSA-N 262.324 4.598 30 10 CJEE CC1(C)CC(CS)(COC[C@@H]2C[C@@H]2C2CCCC2)C1 2344978618 XMSIIVCHGIVUIC-LSDHHAIUSA-N 282.493 4.566 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@@H](C(C)C)CC1 2352014355 OXHGDZONGRTRKI-LZWOXQAQSA-N 284.465 4.744 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@@H](CS)CC(C)C 2353836579 SQMDFMIIKBGEID-KRWDZBQOSA-N 287.557 4.973 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@H]1CCC[C@@H]1C(C)C 2353843379 RLZJZRAQPPJRJO-GVDBMIGSSA-N 285.541 4.583 30 10 CJEE Cc1cc(C#N)ccc1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2354142586 YLJVURZFCRICCH-XYJFISCASA-N 268.404 4.638 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1cc(F)c(C)cc1F 2360204840 GVJOLLSGCATJEK-INIZCTEOSA-N 297.414 4.527 30 10 CJEE C=CCC(CC=C)NC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2360323858 LKTCFOHTRNWVRF-QDMKHBRRSA-N 283.406 4.558 30 10 CJEE O=C(c1ccccc1)[C@@H]1CCCC/C1=N\Cc1ccccc1 5881869 OSZLFPYOGNOYNM-BWVDKLOVSA-N 291.394 4.701 30 10 CJEE N#C[C@H]1CCC[C@H]1Sc1ccc2ccccc2c1 35676474 HJQXBUZYQUVCNA-GDBMZVCRSA-N 253.370 4.624 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccccc1Cl 37154809 ZCPRQCGBOGAETE-YPMHNXCESA-N 265.809 4.905 30 10 CJEE CCCCCCC[C@@H](N)Cc1nc2ccccc2s1 59082618 FJKMNQBIIBHBMZ-CYBMUJFWSA-N 276.449 4.527 30 10 CJEE N#C[C@]1(c2ccccc2)Cc2ccc(C3CCCC3)cc2C1 75933631 YSRCRRBQPGCWHJ-NRFANRHFSA-N 287.406 4.904 30 10 CJEE CCc1sc(-c2cccc(OC(C)C)c2)cc1C#N 77097011 SWUJWIHOFVGSGI-UHFFFAOYSA-N 271.385 4.636 30 10 CJEE CCCc1nc(CSc2ccccc2)sc1CS 82427709 VDKUFKZYDFKELT-UHFFFAOYSA-N 295.498 4.818 30 10 CJEE C[C@@H](NCCCC(C)(C)C#N)c1ccc(Cl)cc1Cl 87597116 BBJVVZHIEFWAAD-LLVKDONJSA-N 299.245 4.974 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(Cl)c(F)c2)CC1 91883759 KJYQPUJBFUCATL-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Sc1ccc(Cl)cc1 93955906 OYLZWMGOPLLDOD-ZWNOBZJWSA-N 251.782 4.514 30 10 CJEE CCCC1(CCC)CN(c2cc(Cl)ccc2C#N)C1 93965920 KKVGWZWLSYVUQZ-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1C 96887853 JCLIAQZKRDELQU-MDZDMXLPSA-N 275.351 4.681 30 10 CJEE CCCCCCC(=O)[C@@H](C#N)c1cccc(C(F)(F)F)c1 97469456 AHEZEOUUWNSGIC-AWEZNQCLSA-N 297.320 4.852 30 10 CJEE C=C(C)CC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NN 97783808 ADKUUPYYOCOWDC-KVMJBUIKSA-N 290.495 4.561 30 10 CJEE CCOc1ccc(C(F)(F)F)cc1[C@H](C)CCC#N 107474972 SYBGTUZDBOALCK-SNVBAGLBSA-N 271.282 4.511 30 10 CJEE Cc1cc(C)c(OCC(C)C)c([C@@H](C)CCS)c1 107665718 XTSLEUHUNWYNBJ-ZDUSSCGKSA-N 266.450 4.762 30 10 CJEE CCCCCCCCOCCCCCNCC(C)C 110171299 YZKRWIABMCLKJG-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCCCCCCCO[C@@H](C)CNc1ccccc1 110239482 BIVVEBXFNMGBNA-INIZCTEOSA-N 263.425 4.864 30 10 CJEE CCCCCCCCCCCCN(C)CCC#N 110246690 MXGAJECBXWKDEE-UHFFFAOYSA-N 252.446 4.753 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1ccc(Cl)cc1C#N 110257102 RMXPJFSNKQIDLB-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(CC2CC2)C(C)C)C1 110264801 RDUQAZBZIQPSHP-RCCFBDPRSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@H]1C(C)(C)C 114061924 STLLWBNZNRIMBL-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@](C)(O[C@@H](C)CC(C)C)C(=O)O 114390329 XNXYBUNWWOAKCI-GOEBONIOSA-N 272.429 4.641 30 10 CJEE CCCCCCC[C@@H](C)NCC1(O)CCC(CC)CC1 115637601 SJVGUBBKUVKXFG-WWDZGPRUSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CCOc2ccccc21 123063776 HIMUFQDVHBNDIQ-HOTGVXAUSA-N 275.436 4.631 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@]1(C)CCCCO1 125294472 XZQCJYJWHWUDEO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCC[C@H](C)Nc1cccc(SCC)c1C#N 127044205 HEMSSVBKKBNYGS-LBPRGKRZSA-N 262.422 4.661 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](OCC)C1CC1 130476220 BWIBIFLSIIYMEL-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](C[C@H](C)COC)NC 143473853 MKLOKRNIMMYKQJ-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCC[C@@H](O)C1=CCCCO1 160455184 ONNCKDDLWJZFLE-MRXNPFEDSA-N 268.441 4.963 30 10 CJEE CC(C)c1cccc(NCc2ccc(C#N)cc2Cl)c1 162604618 HWKWJIDQZGDJOE-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccccc1)C1CCCCC1 162645341 XBPBIFWQLOCHBJ-MAUKXSAKSA-N 257.421 4.862 30 10 CJEE Cc1cc(OCc2ccc(C#N)cc2Cl)ccc1Cl 162976031 LKNAXRDWGQHJCC-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C[C@@H]1C[C@@H](OCc2ccc(C#N)cc2Cl)CC(C)(C)C1 162978373 RFIBEQBWZXSEFC-IUODEOHRSA-N 291.822 4.943 30 10 CJEE CCCCCCC[C@H](O)[C@H](OCC)C1CCCCC1 163064094 NLVFAMWSMJDAET-DLBZAZTESA-N 270.457 4.693 30 10 CJEE CCCCCCCOc1cc(NCC)nc(C(C)(C)C)n1 163958317 QFMWMEUYAKCTJT-UHFFFAOYSA-N 293.455 4.555 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cncc2ccccc12 165034934 GGPVOIHYGHZVDV-QGZVFWFLSA-N 293.757 4.565 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(Cl)c1 165981994 KEOCIQQALPGIFV-HNNXBMFYSA-N 268.832 4.595 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccn(C2CCCCC2)n1 167834197 KFAFNXHAAPXQQP-MRXNPFEDSA-N 291.483 4.619 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2ccc(C)cc2)C1 222204707 HLHZRZGOADTIGO-NEWSRXKRSA-N 284.447 4.535 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(OC)cc2)C1 222252030 CZGLSLKVGUVZQT-CPUCHLNUSA-N 289.444 4.896 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CC2CCCC2)C1 223342540 SQPPTDNURXSNNR-KSZLIROESA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(OC)c1F 229064500 GTFMAJCULALVGH-HNNXBMFYSA-N 281.415 4.845 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCC3(CCCC3)O2)CC1 229465652 WWVZCIABDKGGOB-HWOWSKLDSA-N 261.409 4.588 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 230774096 AYGNDNWKJYRBKE-CJNGLKHVSA-N 274.383 4.714 30 10 CJEE CC(C)C[C@H]1CCC[C@@](C#N)(NC2CCCCCC2)C1 230779929 HPFCUBWGOGXCCW-SJLPKXTDSA-N 276.468 4.797 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)C1 231003978 CMVPQQRIFWNHAX-CJNGLKHVSA-N 276.811 4.860 30 10 CJEE C=CCSCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 231933443 NTLRMOHAQNQNOF-JTQLQIEISA-N 290.259 4.563 30 10 CJEE CCCCCCCCCOc1ccc(C#N)cc1F 232363957 LPNVTZAPJUIGDY-UHFFFAOYSA-N 263.356 4.827 30 10 CJEE C=CCCCCC[C@H](N)[C@H](C)Oc1cccc(Cl)c1 235554163 PEDFJUIYNHFOIC-BBRMVZONSA-N 281.827 4.571 30 10 CJEE O=C(C1=CCCCC1)c1cc(Cl)ccc1Br 236043128 ZLBZGHOZRHOCKY-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCCCCC[C@H](NN)c1cc2cc(F)ccc2s1 236246810 WLVBEBAPBWQHCM-AWEZNQCLSA-N 292.423 4.681 30 10 CJEE CCCCCCCCN1C[C@H](C2CCCCC2)NC[C@H]1C 250839985 XEUHDVLZNPTOKH-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCCC[C@H]1C(F)(F)F 253001561 SJTLVIHMDMGSRX-KFWWJZLASA-N 289.385 4.527 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1=CCCCC1 276488859 UHMVUPWCWQXNDL-UHFFFAOYSA-N 283.415 4.977 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)CC1 307922904 IIORHJAYMSSNNP-HIFRSBDPSA-N 274.383 4.858 30 10 CJEE CCCC[C@H](CC)COCCCB1OC(C)(C)C(C)(C)O1 309878910 YECHIMQEOSHPBZ-HNNXBMFYSA-N 298.276 4.702 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C#N)CCc2ccccc21 311372879 JQIWIKJUSOUDSK-HFTRVMKXSA-N 253.389 4.611 30 10 CJEE N#Cc1cc(N[C@H]2CCCCC23CCCC3)ccc1F 313104992 NUSHXBXTRRKWQC-INIZCTEOSA-N 272.367 4.612 30 10 CJEE CNCC1(CC#CC(C)(C)C)CCC(C(C)(C)C)CC1 317114588 ZEEDFHBVDKKSJI-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE C=CCCCCCCN[C@H]1CSCc2ccccc21 388496199 HGHKUDQOXGIXHJ-KRWDZBQOSA-N 275.461 4.701 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H](CC(C)C)C1 394140270 UIIHPRASXURLKY-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(Cl)cc1 398073027 ANCCSGMDILOZGV-QWHCGFSZSA-N 251.801 4.735 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](C)OCc1ccccc1 404520166 VPDNBGKZGGPJEM-FUHWJXTLSA-N 277.452 4.670 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 613901070 NACUCHXBZXWDBB-ZSHCYNCHSA-N 283.415 4.523 30 10 CJEE N#C[C@H](CNc1ccc(SC(F)F)cc1)C1CCCC1 690222133 WUUSZOJZOVYXKS-GFCCVEGCSA-N 296.386 4.743 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCCSCC1 690345160 OXJNVTPFVFYDLB-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncccc1C(F)(F)F 692249987 BJVMYNLIKCQRQH-YPMHNXCESA-N 284.325 4.647 30 10 CJEE Cc1ccc(NC2(C#N)CCC(C3CCC3)CC2)cc1 695938697 SYWLLAKLQAHOMR-UHFFFAOYSA-N 268.404 4.660 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H](N)c1ccccc1 697463800 PPXZMURJABGIIE-MSOLQXFVSA-N 277.452 4.578 30 10 CJEE Cc1cc(CC2(C#N)CC(C)(C)CC(C)(C)C2)ccn1 698176945 WZAWWSQNIUBZTJ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCC[C@@H](CS)CN1CCC[C@@H](C2CCCCC2)C1 708236990 YPEYFVVOMQMKRF-NVXWUHKLSA-N 283.525 4.625 30 10 CJEE CCC[C@H](CS)CN1CCC(C2CCCCC2)CC1 708823080 QPFHWNRUALVQJD-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CC[C@H](CC)C1 710633378 HSUSRBLRTUOKDS-LSDHHAIUSA-N 257.849 4.571 30 10 CJEE CC1(C)C[C@@H](CC2(C#N)CCCCCC2)C(C)(C)O1 711322337 LFOQFSATXDIMKV-AWEZNQCLSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@H](NC)C1 712756725 CNANKCUWCJKNNV-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(Cl)c1 715706427 RSPHPKRFTDVARV-ZWNOBZJWSA-N 257.830 4.654 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Br)ccc1C 715726917 VYAPPUCWNWGERP-IUODEOHRSA-N 296.252 4.620 30 10 CJEE C=C1CCC(C[C@H](CSCCC)NCCC)CC1 724550578 SVBAHESFMMZDCW-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=C1CCC(C[C@@H](CC2=CCCCC2)NCC)CC1 724588080 FEPIYUWPGZZTTA-GOSISDBHSA-N 261.453 4.992 30 10 CJEE C=C1CCC(C[C@@H](N)C[C@@H](CC)C(C)(C)C)CC1 724607624 QIHWAJMKARASLV-HZPDHXFCSA-N 251.458 4.913 30 10 CJEE CC(C)C1CCC(C#N)(CC2C[C@H](C)O[C@@H](C)C2)CC1 724881433 BYUYFWNBTNSMKN-QEFXCSQDSA-N 277.452 4.936 30 10 CJEE Cc1cccc(N=C2N[C@@H](C3CCCC3)CCS2)c1C 725070415 KKOAYQQQDZLQIK-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)CC1CCCCC1 822177934 VLDQASKRADRPDW-CQSZACIVSA-N 256.393 4.638 30 10 CJEE Cc1ccc(C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 1116466956 OKBYATRZWYGZHF-XLIONFOSSA-N 292.426 4.561 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 1125523189 DJURAAVNGYVSAP-INIZCTEOSA-N 285.431 4.518 30 10 CJEE C=CCCCCCN(C)C(=O)/C(C)=C\c1ccc(C)cc1 1126398645 WNPMJFGKWUYYFN-ICFOKQHNSA-N 285.431 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C)c1Cl 1131106597 UPNYGKTXQSQWOG-HIFRSBDPSA-N 291.822 4.513 30 10 CJEE C=CCCCCCN1CC2(CCC2)c2ccccc21 1169226197 RPPMMMVXGVFZOL-UHFFFAOYSA-N 255.405 4.675 30 10 CJEE C=CCOc1cccc(CNCCCCC(C)(C)C)c1 1177779552 MZVIAXIABKGNQK-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CCCCCCN[C@H](c1ccc(F)cc1F)C1CC1 1192615061 FRSDMCFVXIFTSQ-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE C#Cc1cccc(N[C@@H](C)Cc2ccccc2SCC)c1 1205277320 RBDDCZDWQSREIN-HNNXBMFYSA-N 295.451 4.823 30 10 CJEE C=CCC1(NC[C@@H](C)c2cc(F)cc(F)c2)CCCC1 1206680170 BWPYVQDECHNWFS-CYBMUJFWSA-N 279.374 4.547 30 10 CJEE C=CCCC(C)(C)CNCc1cc2c(O)cccc2s1 1207083178 KLDZCPBUPMVTTE-UHFFFAOYSA-N 289.444 4.689 30 10 CJEE COc1c(Cl)cccc1Nc1ccc(C#N)cc1Cl 1213995791 NAQZEFSJVMKUCZ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C=CC[C@H]1N(CCCC(C)(C)C)CCCC1(C)C 1307730228 WDNACKHPMQJWTG-OAHLLOKOSA-N 251.458 4.879 30 10 CJEE C=CCCCCCN1CCCCc2ccc(OC)cc21 1307861825 YMFKUISHMXRODU-UHFFFAOYSA-N 273.420 4.584 30 10 CJEE C#CC[C@H]1CCCN(Cc2ccc(C3CCCC3)cc2)C1 1307871628 FGTZOPXEYUYXHN-KRWDZBQOSA-N 281.443 4.580 30 10 CJEE C=CCC1(CNCc2ccc(CSC)cc2)CCCC1 1308403102 LEWMQXPVFINJMC-UHFFFAOYSA-N 289.488 4.776 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@]2(c3ccccc3)CC2(C)C)C1 1308473774 PASWHAQAWMSBKS-POAQFYNOSA-N 283.459 4.689 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1C(C)(C)C 1350934496 FJULZQKCRHOYJT-CYBMUJFWSA-N 259.393 4.525 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(CCC(C)C)cc1 1357438389 ZJOOTGYFYKYJSL-HNNXBMFYSA-N 273.420 4.816 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccccc1Nc1ccccc1 1448564986 MRPWEBSXQYPVED-OAHLLOKOSA-N 294.398 4.515 30 10 CJEE C=C1CN(C(=O)C(C)(C)CCCCCCCCCC)C1 1453262637 IJWAIERHMOCPSE-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE CCCCCCCCCN1CCSC(C)(C)C1 1459658147 WEACFEJBIKPKNQ-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE C=CCC1(NC(=O)c2cc(C(C)C)oc2C)CCCCC1 1460095466 VVUGMDLVUFXXHL-UHFFFAOYSA-N 289.419 4.720 30 10 CJEE C=C(CC)CN[C@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 1462341674 LPOUYYVPGROXNF-IAGOWNOFSA-N 273.464 4.933 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC(F)F)cc1 1473637389 GFLOSLSXFOAHDY-GDBMZVCRSA-N 295.373 4.513 30 10 CJEE C#Cc1ccc(NC[C@@H](C)C2CCCCC2)c(Cl)c1 1474731524 KVSMGTFDGBZQMY-CYBMUJFWSA-N 275.823 4.950 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[C@@H]2CC)c1 1477188704 PQRKIYMCJXJPEV-GOEBONIOSA-N 286.419 4.668 30 10 CJEE C=C[C@@H](CC(=O)NCC1(CC)CCCCC1)c1ccccc1 1528209312 KBPIFFDAZMSSQI-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=C(C)CN(CC)C(=O)[C@@](C)(CC)CCCCCC 1532352344 FARKNROCZOEIJK-KRWDZBQOSA-N 267.457 4.798 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 1535869983 LYZSUXLLPPAQLE-AWEZNQCLSA-N 286.202 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](CC)CCCC 1538890056 IXVWSGLRHPCSEN-BRWVUGGUSA-N 279.468 4.844 30 10 CJEE C=CCCC[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccccc1 1560109169 VFLUUDMFFFLNJW-ZWKOTPCHSA-N 287.447 4.631 30 10 CJEE C=C(C)COc1cccc(NC/C=C/c2ccccc2)c1 1560382073 FYECLYCNANKVJK-JXMROGBWSA-N 279.383 4.767 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1C[C@]1(C)C(C)C)c1ccccc1 1583321417 ALEUNMXRKZVMEH-CMKODMSKSA-N 299.458 4.677 30 10 CJEE C=CCCC[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 1583544163 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BICFCRJBLJGECH-RVZJWNSFSA-N 291.385 4.677 30 10 CJEE C=C(C)[C@H](NCCC(C)(C)CC)c1ccc(F)c(F)c1 1653342921 HYHSNJIKZLOWON-INIZCTEOSA-N 281.390 4.998 30 10 CJEE C=CCCCCCNC(C)(C)Cc1ccc(C)cc1 1653938136 IFPDJKPHDPCUNE-UHFFFAOYSA-N 259.437 4.652 30 10 CJEE C#C[C@H](NCCCCc1ccc(Cl)c(Cl)c1)C(C)C 1659150435 YWDWEMDBDNSHSZ-INIZCTEOSA-N 298.257 4.564 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](CC)C1 1659440124 BJVABDQQRYOXRG-BHIYHBOVSA-N 271.448 4.732 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 1665184662 RQRPSDJQGLZSOB-JKIFEVAISA-N 286.419 4.666 30 10 CJEE CC[C@](C#N)(C[C@@H](C)COCc1ccccc1)C(C)C 1882602853 LJDFQIJFROQZCH-SJLPKXTDSA-N 273.420 4.805 30 10 CJEE CC#CCCCC[C@@H](O)c1ccccc1C1CCC1 1885235014 FNGZTARAFRQOFU-GOSISDBHSA-N 256.389 4.571 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1ccsc1C)C1CC1 1887462729 BHBUEDRRARBSEQ-WBVHZDCISA-N 275.461 4.537 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CC(C)(CC)C1 1888674257 KOOXBKLUSGLIBG-ADKAHSJRSA-N 257.421 4.504 30 10 CJEE C=CCSc1ccccc1N[C@H](C(F)F)C1CCC1 1892884572 CJTUJVHCKYTHMH-AWEZNQCLSA-N 283.387 4.810 30 10 CJEE C=CC[C@@H](C)C(=O)c1cc(Cl)cc(F)c1Cl 1903173350 MVWMLCZEXAHUFE-SSDOTTSWSA-N 261.123 4.527 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)C(C)(C)C#N)c1Cl 1905241641 RBOCLRZXSOPROC-SECBINFHSA-N 256.176 4.955 30 10 CJEE CN(CCCC(C)(C)C#N)[C@@H]1CCC2(CCCCC2)C1 1916121382 PHTKXNMSJFQKMJ-MRXNPFEDSA-N 276.468 4.751 30 10 CJEE CCCCCCC[C@H](C[C@@H]1OCC[C@@H]1C)NCCC 1918132821 SYKVQYDGPHBASB-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@@H]1C[C@H](C)O[C@H](C)C1 1919505062 OSMKXSCCMXIUGP-LTIDMASMSA-N 269.473 4.658 30 10 CJEE CCCCCCC[C@H](NC)[C@@](O)(CC)C[C@@H](C)CC 1920582631 AAKKJJISQCRVSV-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CC1(C)CCC(C#N)([C@@](C)(O)c2ccc(Cl)s2)CC1 1921103013 QNFTWPSFVARFHZ-AWEZNQCLSA-N 297.851 4.719 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H](C)C1CC1)NCC 1921157900 WWXKBEFJCPPKNT-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE CSc1cccc(N2C[C@@H](C(C)C)CC[C@@H]2C)c1C#N 1924182430 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269.841 4.636 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@H](C)SC1 2019197176 XQFCPNUWUVNDMY-LSDHHAIUSA-N 257.487 4.563 30 10 CJEE O=CC1(CC2CCC(F)CC2)CCCCCCC1 2032094653 OJGYLLNJIDWITA-UHFFFAOYSA-N 254.389 4.834 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]12CC[C@@H]1C2 2039708467 XTCYNVAYRHNVGX-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1[C@H]2CCCCC[C@H]21 2048441097 HPVOGDQCTXKRTR-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE C=CC1(C[C@H](O)c2ccc3sccc3c2)CCC1 2049030309 ONQPQFLEMHDEDY-AWEZNQCLSA-N 258.386 4.681 30 10 CJEE C=CC1(CC2(O)CC(C)(C)CC(C)(C)C2)CCC1 2049031909 DCWJKQZJVRXBDB-UHFFFAOYSA-N 250.426 4.700 30 10 CJEE C=CC1(CC2(O)CCCCCCCCC2)CCC1 2049033255 QALCOFUUKSDFHM-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=CC1(C[C@@H](NC)c2cc3sccc3s2)CCC1 2049037834 MYFSBCPCXKJXOF-LLVKDONJSA-N 277.458 4.970 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)C1CCC(CCC)CC1 2049422520 XFGNKCLIUCETBR-XNIRIUNOSA-N 251.458 4.926 30 10 CJEE C=C([C@@H](NCC)[C@H]1CCCC(C)(C)C1)C(C)(C)C 2049490325 NVASJJCEKLFJOG-LSDHHAIUSA-N 251.458 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4.846 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@H](C(C)C)CC2)c1 86949159 QSBMBTNSCJESDL-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@@H](C)[C@H](C)C2)CC1 91887047 UHNRGSFSUSZVLK-IUGQGLEPSA-N 277.452 4.674 30 10 CJEE C=CCC[C@H](NCCC)c1oc2ccc(F)cc2c1C 97220774 WRBTVDQSKIWIHW-HNNXBMFYSA-N 275.367 4.887 30 10 CJEE CCCCCCCCCC(=O)OCCN(C(C)C)C(C)C 97972972 UFVMRVRFBBXYAW-UHFFFAOYSA-N 299.499 4.789 30 10 CJEE CCCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1 97978549 FJQJNVCOIJSMGZ-RCCFBDPRSA-N 283.500 4.799 30 10 CJEE in-vitro CCCCCCC[C@@](C)(NCCC)c1nccs1 104443114 KSJPRGIJASKFOI-OAHLLOKOSA-N 268.470 4.718 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccccc1Cl 109713491 KKDNQABZUIVKGG-HNNXBMFYSA-N 268.828 4.994 30 10 CJEE CCCCCCCO[C@H](C)[C@H](O)c1ccc(CC)cc1 110022294 GHGAMPCHDQBIMQ-QAPCUYQASA-N 278.436 4.658 30 10 CJEE CCCCCCCCCn1cc(-c2ccccc2N)cn1 110520622 WQCYBPUSECWFKA-UHFFFAOYSA-N 285.435 4.883 30 10 CJEE CCCCCCCCN1CC[C@H](NC)c2ccccc21 112726039 LFMHLSAIRQCGGY-KRWDZBQOSA-N 274.452 4.518 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnn(C)c1 115689087 DODGKPATHPXHSV-KRWDZBQOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCCCc1nc([C@H](N)C(C)C)no1 115861813 RQLWHZVNXWHXPL-MRXNPFEDSA-N 295.471 4.799 30 10 CJEE CCCCCCCCCCC(=O)C(C)(C)N1CCCC1 118142783 GQJSXCVNOMGVLM-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@](C)(CC)N(CC)CC 118155519 LZQIAFQDYAMNJO-QZTJIDSGSA-N 285.516 4.999 30 10 CJEE CCCCCCCC[C@H](CNC)c1ccc(F)cc1 118655155 QPRCREKYGFMTFA-MRXNPFEDSA-N 265.416 4.879 30 10 CJEE CCCCCCCCC(=O)Nc1c(C)cc(N)cc1C 124697249 UOTDVALPNGPPLQ-UHFFFAOYSA-N 276.424 4.575 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCO[C@H]1C 125188046 SJOADCWDPZGMMR-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1Cc2ccccc2O1 126059866 QPDDFFHZWKKDSE-MJGOQNOKSA-N 290.447 4.882 30 10 CJEE CCCCCCCCCCCc1nc(Cl)no1 128778801 WXDFNNXNNPNHGY-UHFFFAOYSA-N 258.793 4.796 30 10 CJEE CCCCCCCC[C@H](CC1CCCCC1)NN 130334760 BZQKRPDAMQJFPD-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCCC[C@H](O)COc1cccc(Cl)c1 135381883 ANEXCLGDEYWRHG-HNNXBMFYSA-N 284.827 4.830 30 10 CJEE CCSc1cccc(Oc2ccc3c(c2)CCC3)c1C#N 136707790 OMDBGBQDSMPOLK-UHFFFAOYSA-N 295.407 4.951 30 10 CJEE CCCCCCC[C@H](CCc1ccc(C)cc1)NC 139545766 YSEGNBDSYVPPIE-GOSISDBHSA-N 261.453 4.876 30 10 CJEE CCCCCCCC[C@H](N)COc1ccc(Cl)cc1 140289169 OUTBZRMVDAHOII-HNNXBMFYSA-N 283.843 4.797 30 10 CJEE CCCCCCCCCO[C@H]1CCCCCC[C@@H]1O 146300916 PEECMCOIZVJRRQ-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCC(=O)CC[C@@H]1CCCCN1 157946072 BCUIMICKIFUGHE-INIZCTEOSA-N 267.457 4.619 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](CCC)OC 158221620 KZAWNEBDNNGUQC-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=C[C@](C)(CNCCC)Cc1cc(Cl)ccc1Cl 158781234 LBAJYNKMAUTEQE-HNNXBMFYSA-N 286.246 4.728 30 10 CJEE CCCCCCCC[C@@H](NCC)c1coc(C)c1 159062163 QWJIOXPXTCVLCJ-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE C[C@H]1CC[C@H](Nc2cccc(F)c2C#N)c2ccccc21 163709533 VWZOIRNWZMSHMX-SGTLLEGYSA-N 280.346 4.748 30 10 CJEE C=C(C)CC[C@H](N)C(c1ccccc1)c1ccccc1 164506763 MHZXGHBQGPJIHK-SFHVURJKSA-N 265.400 4.502 30 10 CJEE N#Cc1cc(SC2CCCC2)ccc1C(F)(F)F 164519429 AFPPKPSAECKULC-UHFFFAOYSA-N 271.307 4.612 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OCc1ccc(F)cc1)C2 229801584 DOJRVNPEQYTUIW-QLYAPRMXSA-N 275.367 4.545 30 10 CJEE CC(C)(C#N)CCCCSc1ccc(Cl)cc1N 232524154 XPAIRBKEYLWDCT-UHFFFAOYSA-N 282.840 4.734 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(Cl)o1 232958947 JFMKUSOFHONACV-GFCCVEGCSA-N 257.805 4.944 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@@H]1C(C)C 232975720 ALPGBPALLNJOSQ-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(F)c2ccccc12 233588694 BSYLBROHJPUSMS-QGZVFWFLSA-N 257.352 4.596 30 10 CJEE Cc1cc(CNc2ccc(C#N)cc2Cl)c(C)s1 235859077 AUQKVVMDRGKHIY-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 253186293 IQKYZUQQCWZTTN-IVSAIRAKSA-N 268.441 4.756 30 10 CJEE C=C(C)CC(=O)c1cc(Cl)c(C)cc1Br 307649243 PMNUCQSFWGETSC-UHFFFAOYSA-N 287.584 4.560 30 10 CJEE C[C@@H]1CCC[C@H]([C@]2(C#N)CCc3ccccc3C2)C1 311555963 LZCNOHFZIKLKFA-FHLIZLRMSA-N 253.389 4.512 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@H](C#N)c1ccccc1 387404913 RMCLVLZDMRGGLP-PXNSSMCTSA-N 292.426 4.594 30 10 CJEE C=CCCCCCCN[C@@H](C)Cc1ccc(Cl)cc1 388494565 GNIZOKJXETZCES-HNNXBMFYSA-N 279.855 4.997 30 10 CJEE C=CCCCCCCNc1cccc(SC)c1C#N 389088174 GAVXINADUMVWIE-UHFFFAOYSA-N 274.433 4.829 30 10 CJEE CC(C)(C)c1ccccc1N=C1N[C@@H](C(C)(C)C)CS1 393985830 VJDRHHQGXXGOBN-CQSZACIVSA-N 290.476 4.723 30 10 CJEE Cc1cccc(N[C@H](C#N)CC2CCCCCC2)c1 394532713 LQIZYWZOQOWCOW-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)C1CCCC1 397134367 URNQSQQHAYVMBM-CJNGLKHVSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCC[C@@H](CC(C)C)C1 398111557 NFAMKYSUHXXDJA-YESZJQIVSA-N 251.458 4.926 30 10 CJEE C=CCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1NCCC 403421816 QIDFJLHQERKREA-IXDOHACOSA-N 281.484 4.552 30 10 CJEE N#CCc1cc(F)cc(-c2ccc(Cl)cc2Cl)c1 514262844 RSVCJCVSCWZLPP-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@H](O)c1cc(Cl)sc1Cl 686676805 IAOUTSFMFKAQAI-JTQLQIEISA-N 277.216 4.672 30 10 CJEE C#CCCCCCSc1cccc(Br)c1 686685193 BXNZAKLEUSTRFO-UHFFFAOYSA-N 283.234 4.735 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CCCc2sccc21 686690561 BKGJRKKHNUWOJH-RDJZCZTQSA-N 289.488 4.730 30 10 CJEE C[C@@H]1CC[C@H](/N=C2/NC3(CCCCC3)CCS2)[C@H](C)C1 687319705 GVNGHSHCPHOGSY-KFWWJZLASA-N 294.508 4.597 30 10 CJEE CCCC1([C@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 687557551 VBIUBYMNQPGNJS-AWEZNQCLSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCOCC2CCC2)CC1 689443341 AYBMXDLFKBYGJK-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCCOC1)NCC 689573831 CXWSCGZOORJMIF-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCCSCC1 690293746 XOBPXERBBKJSNV-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc(F)c(C(F)(F)F)c1 695841620 ITQXROOVLMCKNW-SECBINFHSA-N 288.288 4.585 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](C)CC(C)C 698452843 SBVGKRYNBVRHLO-SOUVJXGZSA-N 296.455 4.596 30 10 CJEE O=C(C1=CCCCCC1)c1csc(C(F)(F)F)c1 703216279 WKDSDWAOSMNFED-UHFFFAOYSA-N 274.307 4.840 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccccc1OCC 704006222 PXJICMBSHIBHBX-OAHLLOKOSA-N 275.436 4.728 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(OC(F)F)cc1 704951025 KCNIGRUQBRAPMP-UGFHNGPFSA-N 279.330 4.721 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)[C@H](C)C(C)C 706682798 ZJCCFUDEFDWRET-MSOLQXFVSA-N 284.532 4.821 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H](C)CC(C)(C)C 709133373 ZRLHDZMPVSESSL-WBVHZDCISA-N 253.474 4.887 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCCSCC1 709597241 STINDHCTVQQHAQ-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cc(C(F)(F)F)ccc1Cl 715023922 PWZQYKZAUBYWNP-UFBFGSQYSA-N 278.701 4.604 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)ccc1Cl 715719014 JRWNREFXIVZWET-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCC3(CCC3)CO2)C1 716304134 JGDGOMZRDLQGJI-NUJGCVRESA-N 278.436 4.511 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NCCCCC1CC1 716358083 MJVGAFGSTGTUJU-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(Cl)c(F)c2)CC1 724596721 PQZGLDXYZGMEMB-INIZCTEOSA-N 281.802 4.876 30 10 CJEE Cc1c(CC#N)cc(SC(F)(F)F)c2sccc12 725314194 DWBSLTSCYCEAML-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE Clc1cccc(CO/N=C(/c2ccccc2)C2CC2)c1 821226067 BLRPJDCHGIQLOA-ZPHPHTNESA-N 285.774 4.671 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)CCCC1 1126162874 JVUMZWSBOSRAFK-WMZOPIPTSA-N 297.442 4.528 30 10 CJEE C=C[C@@](C)(CC)C(=O)NC1CCC(C)(c2ccccc2)CC1 1127070449 ANNCUTMPFIUUDX-SYYJFZTOSA-N 299.458 4.605 30 10 CJEE C=CC[C@H](CC)NC(=O)C1(c2ccc(C(C)C)cc2)CCC1 1128531581 BUKWCNGEIUIEJU-SFHVURJKSA-N 299.458 4.703 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)CC(C)(C)C 1130905079 VCIVKSCXAWMFNM-XHSDSOJGSA-N 279.468 4.700 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)c1ccc(CC)cc1)c1ccccc1 1130934091 CTMMXXOMACJTPV-KXBFYZLASA-N 294.394 4.823 30 10 CJEE C=C1CCC(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)CC1 1132258592 FRCKPGXRRQTZLV-HNNXBMFYSA-N 283.415 4.565 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)ccc1NCCC 1137532805 OJDRWNUDOYPGCK-UHFFFAOYSA-N 294.826 4.703 30 10 CJEE C=C1CCN([C@H](C)c2ccc(C(C)(C)C)cc2)CC1 1167329335 DNOBOLBDNKTQFW-OAHLLOKOSA-N 257.421 4.697 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OC)cc1Br 1181880153 NTKJTMJRSHLCEC-LLVKDONJSA-N 298.224 4.614 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(Cl)cn1 1258039616 URDNWYCVLGVIER-CYBMUJFWSA-N 268.832 4.574 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc([C@H](C)CC)c1 1279962484 KOIJHBWWVFNWNV-KGLIPLIRSA-N 259.393 4.741 30 10 CJEE C=C1CCC(C(=O)Oc2ccccc2[C@@H](C)CC)CC1 1351464110 OFDJLJRGXKJDFD-AWEZNQCLSA-N 272.388 4.852 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 1354112493 YIZZWQVJCDDQLO-INIZCTEOSA-N 299.801 4.947 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H](C)CC(C)C)c1ccccc1 1357219007 HCGJUDILIFLFCF-AEFFLSMTSA-N 287.447 4.882 30 10 CJEE C=CCCCCCN(C)C(=O)c1cccc2c1CCCCC2 1360624687 TYEBCNMNBRUZKC-UHFFFAOYSA-N 299.458 4.774 30 10 CJEE N#Cc1c(F)cccc1NC[C@@H]1CCC[C@H]1c1ccccc1 1458403413 FTFFDEOVEOWSFI-HOTGVXAUSA-N 294.373 4.693 30 10 CJEE C#CCCCCCCN(CC)c1ccc(F)c(C)c1 1460732694 IXRWYZRGEYVBDL-UHFFFAOYSA-N 261.384 4.544 30 10 CJEE C=CCC1(CNC2CCc3ccccc3CC2)CCCC1 1461498833 DELJICTZBGLGKO-UHFFFAOYSA-N 283.459 4.660 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 1469927905 WKMIKUYWYQXKPR-IRXDYDNUSA-N 277.452 4.574 30 10 CJEE C=C(CC)CN1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1473387909 DLSRPXGAHQXIRZ-SFHVURJKSA-N 295.430 4.570 30 10 CJEE C=CCCCCCN1CC[C@@](F)(c2ccccc2C)C1 1473422073 XFJRREHIPKTHCX-SFHVURJKSA-N 275.411 4.612 30 10 CJEE C=CC[C@@H]1N(CCc2ccccc2CC)CCCC1(C)C 1473431615 IJURNPCEWNFVCW-IBGZPJMESA-N 285.475 4.858 30 10 CJEE C=CCCC1(CN[C@H](C)CCc2ccco2)CCCC1 1474625788 PSXYRNMLROYCRZ-MRXNPFEDSA-N 275.436 4.717 30 10 CJEE C=CC[C@H](C(=O)N[C@H](C)CCCC(C)C)c1ccccc1 1522172508 GPNBELBVTAYLJS-AEFFLSMTSA-N 287.447 4.677 30 10 CJEE C=CC1(CC(=O)N(C)C[C@H](C)c2ccccc2)CCCCC1 1529856905 DLRAGVYBVPACOU-KRWDZBQOSA-N 299.458 4.775 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1csc2cc(C)ccc12 1538892214 QEVJPSUMCHAPTL-CQSZACIVSA-N 299.439 4.781 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@H](CCC)CC1CCCC1 1544422730 LTQMFZBPHQSTOD-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=CCCC[C@H](NCc1cncc(C)c1)c1ccccc1 1560109068 SHMRPLMORHJQET-IBGZPJMESA-N 280.415 4.577 30 10 CJEE C=CCCC1(CNC2CCC(F)(F)CC2)CCCC1 1560531516 DILIVQUALGXDSI-UHFFFAOYSA-N 271.395 4.681 30 10 CJEE C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1588172088 HJXFQXNFPIQDSN-AWEZNQCLSA-N 285.387 4.555 30 10 CJEE C=CCCCCCCNC(=O)Nc1cc(Cl)ccc1F 1622753684 GZENVJOZNGFQJX-UHFFFAOYSA-N 298.789 4.737 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC12CCCC2)c1ccccc1 1640858916 YWBAXZJSUMLOCF-GOSISDBHSA-N 297.442 4.672 30 10 CJEE C=CCC1(CNCc2ccc3c(c2)CC(C)(C)O3)CCCC1 1651073344 HDFPBEALUDUHAY-UHFFFAOYSA-N 299.458 4.626 30 10 CJEE C=CCCSc1nnc(Nc2cccc(C)c2C)s1 1651735920 KFZDSCCJWZRVTP-UHFFFAOYSA-N 291.445 4.567 30 10 CJEE C=C(C)COc1cccc(NCc2cc(C)cc(C)c2)c1 1657468919 IIURLWJCFXWGJV-UHFFFAOYSA-N 281.399 4.870 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(Cl)cc2OCC)C1 1657621461 VYAGFLMLXYQMJZ-CJNGLKHVSA-N 293.838 4.573 30 10 CJEE C=CCC[C@H](NCC(=C)C)c1ccc(C(F)(F)F)cc1 1657967619 GICNAFTZMXJQTP-HNNXBMFYSA-N 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282.424 4.563 30 10 CJEE CCCCCC#CC[C@@](C)(CCCCCC)OCCN 2292854120 ZFZGBNQHSVPXTD-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C(C)CC[C@@H](OCCCN)c1ccccc1C(C)C 2292881265 DTWURBZYRNKVDF-GOSISDBHSA-N 275.436 4.573 30 10 CJEE C=CCCCCC[C@@](C)(OCCN)c1ccc(Cl)cc1 2294032808 MYWPYCHHDRUFBT-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC[C@H]2CC[C@H]1C2 2294596079 YUMRLUYILFVBBL-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@H](OC)C1(C)C 2295678937 LDHXZFSCWSHWTR-GVDBMIGSSA-N 283.500 4.919 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CC2(COC)CC(F)(F)C2)C1 2295749947 RIABRUKYUHWZPX-KBPBESRZSA-N 285.378 4.549 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(Br)cc1CC 2304086101 MCLPFWYJVCKOID-UHFFFAOYSA-N 295.220 4.797 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(F)c1Cl 2304124581 FUERHBUEBWAEJH-KGLIPLIRSA-N 256.748 4.505 30 10 CJEE C=CCC(CC=C)[C@@](C)(CCCC)CNCCC 2316734506 RXKRYLNXMWKADE-KRWDZBQOSA-N 251.458 4.951 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cscc1C(F)(F)F 2316745360 WXYVVCKTMPZNSC-LBPRGKRZSA-N 275.339 4.535 30 10 CJEE C=CC[C@H]1CCN1CCCc1cc(Cl)cc(Cl)c1 2318608882 ADQMDHAPFQZACM-HNNXBMFYSA-N 284.230 4.576 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc2sccc12 2319290585 ILDPBKGVDHGEMO-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CC(C)C[C@H](CS)CSc1cc2ccccc2[nH]1 2328534130 DYARUAMGLCIDPZ-GFCCVEGCSA-N 279.474 4.852 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2CCC[C@@H]3C[C@H]23)NC)CC1 2330814783 XFCCRJNEOIEYEE-ZJPYXAASSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCOc1cccc(OC)c1C 2335379115 UPLGQPJHTSPXSL-UHFFFAOYSA-N 262.393 4.909 30 10 CJEE CCCCCCCC[C@H](N)c1snnc1C1CCC1 2335703019 ZKOSFCYNBBTVPD-ZDUSSCGKSA-N 281.469 4.556 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(F)cc(Cl)c1 2337110331 ZPBKJUYYHPMFNQ-XHBSWPGZSA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C)CC[C@@H]1CNCCC 2338724353 GSPHGBXKWXXBIO-JQHSSLGASA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CC)CC[C@@H]1CNCC 2338725157 OFQUOQLXDCCQEB-NXHRZFHOSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@]12CCCC[C@H]1C2 2338735224 JPOZQDLOKCAIFV-BZSNNMDCSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H]1C[C@H]1C1CCCCCC1 2338743457 FOGLTVBPOJUSLJ-BZSNNMDCSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CC(=C2CCC2)C1 2338747268 OTOSZZNERIESAC-SFHVURJKSA-N 259.437 4.623 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2338803753 FZYIXPDFLIBJPK-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CCCCCCCCOC[C@H](CCC1CC1)NCC 2340732592 GWGMKPREDVKCHP-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCOC[C@H](CC1CCC1)NCC 2340874422 PSRRFKXLBDUBDO-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE C=C(C)CC[C@@H](O)[C@@H](c1ccccc1)C1CCCC1 2342359834 KNNQGLCMDIVCPZ-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE C=C(C)C[C@H](N)C[C@H](c1ccccc1)C1CCCC1 2342555589 DAYCKPCDXWQSNX-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1=C[C@H]2CC[C@H]1C2 2344341687 DOMPAVXGMARQDZ-ONIAQPFYSA-N 261.453 4.703 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc(C(F)F)c1F 2344420778 NWJYAPBAVQHJTL-HNNXBMFYSA-N 270.294 4.938 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(F)ncc1C 2352406845 FMZRTXMVCVBEKE-HNNXBMFYSA-N 266.404 4.540 30 10 CJEE C#CCCCCCCCOc1cc(Cl)cc(C=O)c1 2352998226 KDGFNYCAOVQGKY-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE FC(F)(F)CC1CCC(COCCCCCS)CC1 2353020279 ILOPDZRXDDUTFX-UHFFFAOYSA-N 298.414 4.862 30 10 CJEE N#CC1(CC2CCC(CC(F)(F)F)CC2)CC=CC1 2353156885 WTLCEAVNEHRHDA-UHFFFAOYSA-N 271.326 4.995 30 10 CJEE CC[C@H](CS)COCC1CCC(CC(F)(F)F)CC1 2353165810 FPLJDJAGEKTCGU-HIFPTAJRSA-N 298.414 4.718 30 10 CJEE C=CCC[C@H](C)NCC1CCC(CC(F)(F)F)CC1 2353168452 YUAIPKGBGMEZHG-HSBZDZAISA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(F)cc2SC)CC1 2353837788 KMGOLMCKUCETMK-OAHLLOKOSA-N 280.408 4.718 30 10 CJEE C=CC[C@@H](C)SCc1cc([N+](=O)[O-])c(C)cc1NCC 2360202990 PNISAPSSCAOTNI-GFCCVEGCSA-N 294.420 4.533 30 10 CJEE C=CCOc1ccc(CNC[C@H](CC)CCCC)cc1 20546712 HCCQUGJUKPNLOR-MRXNPFEDSA-N 275.436 4.557 30 10 CJEE O=C(/C=C\Sc1ccc(Cl)cc1)c1ccccc1 32224609 FDDBYOCZLOQIKX-KHPPLWFESA-N 274.772 4.829 30 10 CJEE CCCCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 36333097 QNUJEJJQJXZDCU-BBWFWOEESA-N 273.445 4.996 30 10 CJEE Cc1ccc(F)cc1Nc1ccc(C(F)(F)F)cc1C#N 36926919 ZZDMFLVZIMBAOZ-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCOC[C@H](N)c1ccc2ccccc2c1 59083390 SIJFCVQUMUOAEL-IBGZPJMESA-N 285.431 4.827 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)CCc1ccco1 59090264 FFOMUFGHBUQBLM-JKSUJKDBSA-N 265.441 4.939 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC)C1CCCCC1 59246988 XTPZNUXVXUVCTL-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCNc1c(N)cnc2ccccc12 59282159 AKLTYBDFKRLDDG-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1cccc(O)c1 59487410 HLHJVMZXEQFZLC-HUUCEWRRSA-N 263.425 4.792 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C(F)(F)F)c1 71276483 JEQREYKVMNQSDQ-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CCCC[C@H](CC)COc1nc2ccccc2cc1C#N 71390580 UCKJJBXDRBCKNM-AWEZNQCLSA-N 282.387 4.702 30 10 CJEE C=CCn1c(-c2ccc(N)cc2)nc2cc(C(C)C)ccc21 74296951 NXXCBPVHTPHLBT-UHFFFAOYSA-N 291.398 4.595 30 10 CJEE N#C[C@]1([C@H]2C=CC=CC2)CC2=CCC(C(F)(F)F)=C[C@H]2C1 75933644 UXQSYWKNCIVURX-DZKIICNBSA-N 291.316 4.857 30 10 CJEE Cc1ccsc1-c1nc2cc(C#N)ccc2n1C(C)(C)C 86636986 YNDUQVAKAQZIKE-UHFFFAOYSA-N 295.411 4.700 30 10 CJEE N#Cc1ccccc1Nc1c(Cl)cccc1Cl 88170982 ASGUGOLSLNFFSB-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CC(C)(C)[C@H](CS)CSc1ccc(F)c(F)c1 94588914 MRRPTBQBXMFTEZ-SECBINFHSA-N 276.417 4.649 30 10 CJEE C[C@H](CCS)c1cc2c(cc1Cl)CCCC2 107568422 CSNIQQCBQYDXCI-SNVBAGLBSA-N 254.826 4.642 30 10 CJEE CCC#CC[C@H](C)c1c(OC)cc(C)c(Cl)c1C 107626139 UJODVTDGZKQBQT-NSHDSACASA-N 264.796 4.872 30 10 CJEE CCOc1c(CCCS)cc(C)cc1C(C)(C)C 107672365 WEHKWAXHKCQJFR-UHFFFAOYSA-N 266.450 4.554 30 10 CJEE Cc1cccc(C)c1Nc1ccc(Cl)cc1C#N 110253203 KWQPRPFMIWIFKI-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(Cl)c(F)c1 110255642 LYONJHAQOLBZQB-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCn1nc(C)c(CNCC(C)C)c1C 110267758 ZXYDGNFUOVBEJW-UHFFFAOYSA-N 293.499 4.606 30 10 CJEE CCCCCCCCCN1CCC([C@@H](C)NCCC)CC1 111710099 IVNRSHAMFDPVDC-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccc(OC)cc1 112885972 WGEJRUBTPMWQMZ-QGZVFWFLSA-N 278.436 4.739 30 10 CJEE CCCCCCC[C@H](C)NCC1(O)CCC(C)(C)CC1 115636562 IUGIWTIUBPNIDU-INIZCTEOSA-N 283.500 4.656 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122388821 IOSXLQVEGAIOBP-YPMHNXCESA-N 297.320 4.925 30 10 CJEE N#Cc1c(F)cccc1Nc1c(Cl)cc(F)cc1Cl 123441128 QGIQELVTHKONOM-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2ccccc2o1 126229202 RFJCRAAGVACUGW-OAHLLOKOSA-N 274.408 4.688 30 10 CJEE CCCCCCCCC[C@@H](CC1CCCC1)NN 130014170 IYECAJUEYFAQIV-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCCC[C@H]1N 136278238 ZXPFZTGNZUGORL-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCSc1cccc(Nc2cc(F)ccc2F)c1C#N 136607706 ACJMEAQJDSAUBH-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE CCSc1cccc(Nc2cccc(F)c2C)c1C#N 136651142 RHBTVKGXGLOEKJ-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCSc1cccc(Oc2cccc(N(C)C)c2)c1C#N 136715278 ORJKDXJFMXKLHM-UHFFFAOYSA-N 298.411 4.529 30 10 CJEE C=C(CC)C[C@@H]1CC(C)(C)CC[C@@H]1CNCCC 156287271 JRPJLNCCXIPNLG-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCn1ccc2cccc(N)c21 157922145 APZBGCRPFXELPJ-UHFFFAOYSA-N 258.409 4.974 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc(F)c1Cl 158910487 QPUBPLPZQFWGBD-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE C[C@@H](CCCC(F)(F)F)Nc1cc(C#N)ccc1Cl 163464537 QYBQCGLADAOORY-VIFPVBQESA-N 290.716 4.745 30 10 CJEE CCCCCN(c1ccc(C(F)(F)F)c(C#N)c1)C(C)C 164444464 ISSMMKNULICFHA-UHFFFAOYSA-N 298.352 4.982 30 10 CJEE CCCCCCCCCC[S@](=O)c1cccc(N)c1C 166000029 OKDKQBHTPIUTOZ-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE C=CCCC[C@H](NCCC)c1ccccc1SC 167719171 KSGIBFRQYCPIJI-HNNXBMFYSA-N 263.450 4.806 30 10 CJEE CCCCCCCCCCCOCCCC(C)=O 168171451 KGSGOMHDZMLYKQ-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCCCCCNc1ncnc2[nH]c(C)cc12 169816578 XCLAEEAYQAWAFO-UHFFFAOYSA-N 288.439 4.819 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CCC)CCC 219680450 KYRRVILOUWOHKL-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(C)ccc1Br 229737253 VEMCZQZOMOYINO-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=C(CC)C[C@@H](NC)C1CCC(CCCC)CC1 229756466 BRIISEOAMBLOSL-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 230767375 PYLAFAHEKKJNFW-UONOGXRCSA-N 274.383 4.714 30 10 CJEE CCCCCSc1ccc(C#N)c(Br)c1 233088561 FVSJQVGLRQOHRB-UHFFFAOYSA-N 284.222 4.603 30 10 CJEE C=CCCCCC[C@H](NCC)C1(c2ccccc2)CC1 233534970 SLWXWGHEINFTJC-SFHVURJKSA-N 271.448 4.833 30 10 CJEE C=C(C)CC[C@H](NCC)c1scc(C)c1Cl 233549565 SHSNTEMTISBDRY-NSHDSACASA-N 257.830 4.717 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)c(F)c1 234438840 QMYOLEFIVLIQIK-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)C[C@H]1C 252689937 SRRARQDIWJFNRD-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CC[C@H](C#N)c1ccc(C(F)(F)CC(C)C)cc1 259375151 GMMOLAZZNHMVMX-GFCCVEGCSA-N 251.320 4.842 30 10 CJEE COc1c(C(C)C)cc(CCCC#N)cc1C(C)C 260619032 POOJZPYAVXTXGJ-UHFFFAOYSA-N 259.393 4.788 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@H](SC)C1 300675415 RDVIXDHLLGARPB-KKUMJFAQSA-N 257.487 4.609 30 10 CJEE CCC1(C[C@]2(C#N)CCc3ccccc3C2)CCC1 311604629 DDPHHNQUFFOZJZ-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CCCCCCCCCCCC[C@H](O)C(C)(C)NC 312040630 VYWDPPSEKCGQQE-INIZCTEOSA-N 271.489 4.656 30 10 CJEE N#C[C@@H](NC1CCCCC1)c1cc(Cl)sc1Cl 312577977 IIQCZWLMQLYDCV-SNVBAGLBSA-N 289.231 4.542 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccsc2Cl)C1 312696669 NEAVFXGUOTVCKD-MPKXVKKWSA-N 283.824 4.545 30 10 CJEE CCCCCCCC(=O)[C@H](CC)C(=O)C1CCCC1 313517333 NVYYUCQOBOFVJX-HNNXBMFYSA-N 266.425 4.702 30 10 CJEE CCCCCCCCCCNC1=NC[C@H](C2CCC2)S1 315868610 HOGNWLGVKWWYQZ-MRXNPFEDSA-N 296.524 4.988 30 10 CJEE O=C[C@]1(Cc2cc(Cl)ccc2Cl)C[C@H]2CC[C@H]1C2 316365440 AUWNVOSVCFIBPL-ITDIGPHOSA-N 283.198 4.541 30 10 CJEE CCCCCCC[C@H](CN1CCCCCC1)NCCC 328077090 FWLNBVDWNUSFGS-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@@H]2C[C@H]12 378969361 YVBXVRPVBHKTAI-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H](C)CCCC 380591889 XWDKIBFRSRTNMN-QZTJIDSGSA-N 284.532 4.965 30 10 CJEE C=CCCC[C@@H](NCCC)c1cnc2ccccc2c1 380865197 LBFYHYVBRPJIOT-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=C[C@@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 381772450 BEDBESDVJWUBQS-MRXNPFEDSA-N 291.316 4.722 30 10 CJEE N#C[C@]1(C[C@@H]2CCCC2(F)F)CCCc2ccccc21 382022084 AVHYHCDXJXZRMC-GOEBONIOSA-N 275.342 4.610 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1sccc1Br 384828960 GNOOJLNFDMHWMU-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE Cc1cc2ccccc2nc1[C@]1(C#N)CCCC[C@H]1C 384862469 NCOFIOWBYXXUSJ-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CCCOCc1ccccc1 384887906 SPBUYFCIZLQMSU-AEFFLSMTSA-N 271.404 4.703 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)c1cccc(Br)c1 393797746 JNGPGBPACCQIFX-LSDHHAIUSA-N 296.252 4.845 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H]2CCCC[C@@H]2C)CC1 394835563 CAHNJYHVLIJNAH-DROMLMRLSA-N 277.452 4.674 30 10 CJEE Cc1cnccc1CCC1(C#N)CCC(C(C)C)CC1 397518241 CDJBUGMKUBJDSY-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)C(C)(C)C 399121076 ONLNUTPOHFUGNB-HUUCEWRRSA-N 256.478 4.641 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 649154371 MVSIVFMYYUYPCU-SJLPKXTDSA-N 295.426 4.509 30 10 CJEE CC[C@@H]1SC(=Nc2cccc(C3CCC3)c2)N[C@@H]1CC 690149900 GZIKOGLIPYQMLS-CVEARBPZSA-N 288.460 4.835 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CCCOC2)C1 690506600 VUGIAYWVDHOKBN-CQSZACIVSA-N 263.425 4.549 30 10 CJEE C=CCC1(NCc2c[nH]c3cc(Cl)ccc23)CCCC1 690720983 CWLNJEGACDLAQC-UHFFFAOYSA-N 288.822 4.800 30 10 CJEE C=CCC1(Nc2nc3ccccc3nc2Cl)CCCC1 690731154 MYMQAGKTXLKWKS-UHFFFAOYSA-N 287.794 4.584 30 10 CJEE C=C(CNc1cc(Cl)cc(F)c1F)c1ccccc1 691000411 PFRSBNLTTTZTLC-UHFFFAOYSA-N 279.717 4.744 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CC2CCC1CC2 692270188 CFALOVRETFHIOY-DCZAMVSPSA-N 275.480 4.926 30 10 CJEE CCCCCCCCC[C@H](O)CNc1ccccc1 695405035 GIOUKOOOFYPTID-KRWDZBQOSA-N 263.425 4.600 30 10 CJEE CCCCCCCCC(=O)c1c(C2CCC2)cnn1C 696309375 JIDPKALGXWUQSW-UHFFFAOYSA-N 276.424 4.621 30 10 CJEE C=CCC[C@H](NCCC)[C@@]1(C)CC[C@H](C)C1(C)C 699099851 YYSYWSFJAXPOFM-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2ccncc2c1 702673702 IPAXLFMBFBKJHK-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCNCc1cc(Cl)cc(Cl)c1O 703772400 VKCJZFXKFNFPNY-UHFFFAOYSA-N 290.234 4.759 30 10 CJEE C=CCOCC1(CNC(C)(C)C)CCC(CCC)CC1 707473309 FHDAEXGUJFGICK-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](C)CC(C)(C)C 708256561 VVEMVOSCBMSQRL-HOTGVXAUSA-N 265.485 4.867 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc(Cl)c(C#N)c1 713042676 JHWSNYJWGNCYCC-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CCC(C)(C)CO2)CC1 714103042 NSSZMRUBRPUVDQ-CQSZACIVSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(OC(C)C)c1 715703220 GASONMQUFPGSEA-MAUKXSAKSA-N 275.436 4.727 30 10 CJEE C=CC[C@H](C)n1ccc2c(Br)cccc21 715714240 KCRLLDNQJHLJOO-JTQLQIEISA-N 264.166 4.541 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](N)CC1CC1 716297199 YUWOLRNGULRIMI-KRWDZBQOSA-N 281.484 4.994 30 10 CJEE CC(C)(C)CSc1ccc(C#N)c2ccccc12 718772550 MFBDMYXRDUMUAU-UHFFFAOYSA-N 255.386 4.850 30 10 CJEE CC1(C)CCCCC[C@@H]1/N=C1/NC2(CCCCC2)CS1 718960594 HRKQHICQKLGYBG-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C[C@H]1CC(=O)C=C(CCc2cc(Cl)cc(Cl)c2)C1 722119722 MCHTZCYDTBKKTP-SNVBAGLBSA-N 283.198 4.851 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@H](C)O[C@H](C)C1 724500693 YMFUOYUZSWJFMK-LTIDMASMSA-N 269.473 4.658 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(Cl)cn2)CC1 724546121 WFEWARMQNGJWQF-INIZCTEOSA-N 278.827 4.522 30 10 CJEE C=C1CCC(CC(=O)c2ccnc3ccccc23)CC1 724590850 XJZPBBUDDGHOOT-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2CC2(F)F)NCCC)CC1 724601067 UYBZAHXEIRUXBY-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE CC(=NNc1cccc(F)c1F)[C@@H](C)c1ccccc1 746372556 RSYSHUJGFOWXRR-LLVKDONJSA-N 274.314 4.556 30 10 CJEE C=CCC[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 799726860 SBBVFZCIPHGQOC-FAFZWHIHSA-N 282.431 4.613 30 10 CJEE CCn1c2ccccc2c2cc(C=Nc3ccccn3)ccc21 1083988823 BRLSMONUUQGDKE-UHFFFAOYSA-N 299.377 4.960 30 10 CJEE C=CC1(CC(=O)N(CC)c2ccccc2C)CCCCC1 1124818950 ABPRWADHWHMCGZ-UHFFFAOYSA-N 285.431 4.875 30 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4.927 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@H](C)c2ccc(Cl)cc2)N1 2136524708 GSUUUNJLABCUKS-WDMOLILDSA-N 296.867 4.508 30 10 CJEE CCCCC#CC[C@H](CSc1ccccc1Cl)NC 2138959115 OKYVKTLQEVGFIO-CQSZACIVSA-N 295.879 4.604 30 10 CJEE CCCCCC#CCN1CC=CCC12CCCCC2 2139024250 QVRXHHLPBJHOTD-UHFFFAOYSA-N 259.437 4.535 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cccc(OC)c1 2141906670 WVLYBTFWEVBPJP-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE C=CCCCCCC[C@@H](NN)c1cccc(Cl)c1C 2141914838 VSZGSJLOZJSMKJ-MRXNPFEDSA-N 280.843 4.679 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ccc(C)cn1 2142433273 VUCSBDUGFQDCKG-MRXNPFEDSA-N 260.425 4.697 30 10 CJEE C=CCCCCCCCCNC[C@H]1C[C@H]1C(F)(F)F 2142439612 NMEMCDWDPDORMB-ZIAGYGMSSA-N 277.374 4.691 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2142439743 OCNVGSWSFYHHFE-SQDXWYPISA-N 260.421 4.764 30 10 CJEE C=CCCCCCCCC[C@](C)(O)C[C@@H]1CCCO1 2142449562 BGKNBXJLTXQMIR-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](N)C[C@@H](CC)COC 2142454021 WVMMLQUSXCDDMF-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CCCC1CCC1 2142461858 CRMUUQZQRSBTCP-INIZCTEOSA-N 268.441 4.637 30 10 CJEE CC#CCC[C@H](NCCC)C1(C(F)(F)F)CCCCC1 2144266117 XQEKVNWWTJFPKZ-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE CCNCC1(CC#CC2CC2)CCC(C(C)(C)C)CC1 2146383753 GHLSYHOQYCDFKC-UHFFFAOYSA-N 275.480 4.622 30 10 CJEE CCCCCCC[C@H](NC)[C@](O)(CCC)[C@H]1CC1(C)C 2148582955 NVZPPZCXDHLPLA-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(O)CCC(C)(C)C 2148592352 SERLINBBVNHFNE-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](O)C(CC)CC 2148605824 XFKIXIOJBKTVFV-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCCCCCO[C@H]1CCNCCC1(F)F 2150039763 QCGOPLJLGNKXMT-HNNXBMFYSA-N 291.426 4.531 30 10 CJEE CCCCCCCCCCN=C1N[C@@H](C2(C)CC2)CS1 2150526712 CFRZBIFVDMOOMH-OAHLLOKOSA-N 296.524 4.988 30 10 CJEE C[C@@H](CCC(C)(C)C)N=C1N[C@]2(CCCC2(C)C)CS1 2150539891 DWXBWYDMCDIQBK-SUMWQHHRSA-N 296.524 4.843 30 10 CJEE C#CC1CCC(N[C@@H](CC(C)C)c2ccccc2)CC1 2153351760 DYSAXZRMWYRJTQ-KVZIAJEVSA-N 269.432 4.555 30 10 CJEE CCC[C@@H](NCc1ccc(C#N)c(C)c1)c1cccs1 2153528303 KSOHYSPILHXITQ-MRXNPFEDSA-N 284.428 4.559 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccn(C(C)C)n1 2153901855 KGKVVCQFZQOFKF-INIZCTEOSA-N 277.456 4.641 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCC)[C@H]1CCC(C)(C)C1 2155227902 ZYRBJQNIAMOKTA-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE CCC[C@](O)(CC1(C#N)CCC(C)(C)CC1)C(F)(F)F 2155593591 PGCHMZOYSWONHW-AWEZNQCLSA-N 291.357 4.580 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CCC3(CCC3)O2)CC1 2157102530 ZQDQJQMONKGCOT-WBVHZDCISA-N 278.436 4.654 30 10 CJEE CCCCCCCCCCN[C@@H]1COC[C@@H]1CC1CC1 2157983300 SGFMWUAZNLLYBH-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)C1CC2(CCC2)C1 2158878689 WJSRJEJOVDXKJU-KRWDZBQOSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc2c(s1)CCOC2 2159484018 VKHVWUJRKVZOCT-OAHLLOKOSA-N 295.492 4.961 30 10 CJEE C=C1CC(CNCC(C)C)(Cc2ccc(Cl)c(F)c2)C1 2159584969 TWPQPDHYRBFKFL-UHFFFAOYSA-N 295.829 4.604 30 10 CJEE CSc1cccc(NCC2CC(C(C)(C)C)C2)c1C#N 2161247247 PTUNCZPNFAPGTJ-UHFFFAOYSA-N 288.460 4.764 30 10 CJEE C#CC(C)(C)CC(=O)c1ccc(-c2ccccc2F)s1 2167593163 IVGIAXFYNMSNLJ-UHFFFAOYSA-N 286.371 4.786 30 10 CJEE C=CC1(C[C@H](N)[C@@H](c2ccccc2)[C@H](C)CC)CCC1 2168027669 GFJOWNFJAJUZMN-BPQIPLTHSA-N 271.448 4.890 30 10 CJEE C=CC1(C[C@@H]2C[C@H](c3ccccc3)CC[C@H]2N)CCC1 2168032071 WKMQYGFZNQBUHD-FGTMMUONSA-N 269.432 4.644 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccc3ccccc3c2)CC1 2168319166 GIJCMFWYXLTVAX-AWEZNQCLSA-N 264.368 4.698 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)C(C)(C)C2CCCC2)C1 2168553906 PCAZGTDKWZCSFX-MAUKXSAKSA-N 277.452 4.674 30 10 CJEE CCC(C)(C)N(CCC#N)CC1(CS)CCCCCC1 2170770952 TUNDWZAXYXGXFC-UHFFFAOYSA-N 296.524 4.661 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](O)C(CCC)CCC 2172276167 PMXSHPIIFAVOMC-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE Cc1ccc(CC[C@@]2(C#N)CCCCC23CCC3)nc1 2173623694 WMCCKZYHJJHQBU-GOSISDBHSA-N 268.404 4.577 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H](O)c1cccc(Cl)c1 2173639363 NFRZQUXIJSBZRH-WBVHZDCISA-N 291.822 4.874 30 10 CJEE O[C@H](CC#CC1CCCCC1)[C@@H]1CCCCC12CCC2 2173678274 GNIQHRSPKOPOAX-ZWKOTPCHSA-N 274.448 4.682 30 10 CJEE O=C[C@]1(Cc2cc(Cl)ccc2F)CCCCC12CCC2 2173679210 YOMVPSKAOJSHIV-QGZVFWFLSA-N 294.797 4.951 30 10 CJEE CCCN[C@]1(C#N)C[C@H](CC)C[C@@H](SCC(C)(C)C)C1 2175421792 PTHZOPJDVSSAHO-BFYDXBDKSA-N 296.524 4.606 30 10 CJEE Cc1cc(C(=O)C=C2CCCCC2)c2ccccc2n1 2177048619 VDKIHBZFBDFGOQ-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc2nsnc2c1 2177229132 BXYROMFQCFVGSK-CQSZACIVSA-N 291.464 4.702 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@]1(C)C(F)F 2177453027 XAKPEEVNJPXXHK-OFQRWUPVSA-N 290.442 4.640 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CCO[C@H]1C)NC 2177646755 GUPYZPYGKRNESH-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@]1(O)CCC=C1C 2179169626 BDPQIGUBBUUHMO-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCCCCCCOc1nc(CNCCC)ccc1Cl 2181983766 VHIPAIFNZDOAAZ-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE C=C1CC(C[C@H](NCC)[C@H]2CCC[C@@]3(C2)CC3(F)F)C1 2182174595 RKUMBRXSYMNYNQ-HRCADAONSA-N 283.406 4.536 30 10 CJEE CCC1CCC(C=O)(CN(C)CC(C)(CC)CC)CC1 2182252605 WJJQUZGAPJJIOJ-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CCCCC1CCC(CC#C[Si](C)(C)C)(C(=O)O)CC1 2187469414 ZEPOJNQYWMYWKJ-UHFFFAOYSA-N 294.511 4.709 30 10 CJEE C=CCOc1ccc(C(=O)CC(C(C)C)C(C)C)cc1 2189283364 XKIUGIZHBTUYSA-UHFFFAOYSA-N 274.404 4.752 30 10 CJEE C=CC1(CN[C@@H](C)c2nc3ccccc3s2)CCCC1 2189514794 MPWDYZSUFWGYBY-ZDUSSCGKSA-N 286.444 4.693 30 10 CJEE CCCC1CCC(C[C@@]2(C=O)C[C@H](OC)C2(C)C)CC1 2192997701 SHSQXJOEDVCZKJ-OBQMCRIKSA-N 280.452 4.613 30 10 CJEE C=CCOc1ccccc1C(=O)C[C@H]1CC[C@H](C)CC1 2193134561 ZXWWUNUICWUEMJ-SHTZXODSSA-N 272.388 4.651 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 2196172350 SARJEBMVECMJDZ-OAHLLOKOSA-N 299.792 4.853 30 10 CJEE C#CC[C@@H](C[C@@H](CC1CC(C)(C)C1)NCCC)C1CC1 2196859150 RFZBUVHSLKHTNU-ZWKOTPCHSA-N 275.480 4.621 30 10 CJEE CCCCCCCCN(C)Cc1cc(N)c(C)cc1F 2202074156 MHGURLMJJVDWGP-UHFFFAOYSA-N 280.431 4.509 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1CCCC12CCC2 2203786635 GPOUFVVLSQDFQM-ROUUACIJSA-N 275.480 4.909 30 10 CJEE CCCC#CC[C@@H](NCCC)C(C1CCC1)C1CCC1 2203787134 IXPREJAKVYTPCP-GOSISDBHSA-N 275.480 4.765 30 10 CJEE C#C[C@@H](N[C@H]1CCC[C@@H](C(C)C)CC1)C1CCCCC1 2203803207 YYTSTHAKYLVGEG-NZSAHSFTSA-N 275.480 4.763 30 10 CJEE CCCCCC#CC[C@@H](N)C1CC2(C1)CC1(CCC1)C2 2203833348 MRGNQVHYZUNTOG-QGZVFWFLSA-N 273.464 4.648 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CCC[C@@H](C(C)C)C1 2206901693 DMPRDLDSQZMMHY-SJLPKXTDSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCN(C)[C@@H](C)CNC(C)(C)C 2207398140 YKKVCHBADHDNCA-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCCCn1ccc(CNC2CC2)c1 2207401926 GMZVHORMIFSULU-UHFFFAOYSA-N 274.452 4.657 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C1=CC[C@@H](CC)CC1 2207453689 ORCCOBICIQDPPM-WBVHZDCISA-N 280.452 4.804 30 10 CJEE CCC[C@@H](CS)COCc1ccc(Cl)cc1Cl 2217020989 WYXPMPBHIMVWLM-SNVBAGLBSA-N 293.259 4.856 30 10 CJEE CCCCCCCCOc1c(C)sc(C=O)c1C 2219354926 OYCUZNZFWHENLS-UHFFFAOYSA-N 268.422 4.917 30 10 CJEE C=CCCCCCCCN1CC[C@H](C)C[C@@H](C)C1 2220093309 QOIPGEOONVEQOB-DLBZAZTESA-N 251.458 4.881 30 10 CJEE C[C@H]1CC[C@@](C#N)(CCCC(F)(F)C(F)(F)F)C1 2223718376 VNCZLDOKICZRJL-UWVGGRQHSA-N 269.257 4.684 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H]2CC[C@H]1C2 2223857348 NONXHMXWBQWGCH-QAETUUGQSA-N 251.458 4.904 30 10 CJEE CCCCCCCC(=O)c1cc(Cl)cc(C)c1N 2223986645 AMJICPHKUNNKTE-UHFFFAOYSA-N 267.800 4.774 30 10 CJEE C=CCCCCCCCN1CCC[C@H](N=[N+]=[N-])CC1 2227287603 MAOPIXAMRUBOBF-HNNXBMFYSA-N 264.417 4.678 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(C)CC(C)(C)C1 2227291698 TWNVAFIPZWZTOO-OAHLLOKOSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCCN1CC(SC(F)(F)F)C1 2229171405 UZARKIIJQPPBNW-UHFFFAOYSA-N 295.414 4.840 30 10 CJEE N#Cc1ccncc1SCCCCCCCC1CC1 2230877698 CMUMLYFYVHOAFU-UHFFFAOYSA-N 274.433 4.796 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@H]1N 2230978397 OJSNJQCDYCAJOL-CVEARBPZSA-N 269.473 4.660 30 10 CJEE C=C[C@H](CCCCC)OCCNc1ccccc1C 2231037985 PMBWRRWGMZZILZ-MRXNPFEDSA-N 261.409 4.558 30 10 CJEE CCc1cc(Cl)ccc1Nc1cc(C)ccc1C#N 2231795732 DTYDKXGGKGWMAJ-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233625879 XRYBMFACUGGCCL-ZSHCYNCHSA-N 285.422 4.927 30 10 CJEE CN(c1cc(Cl)ccc1C#N)C1CCC(C2CC2)CC1 2234296095 FRMGSFGRVYTCJO-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](OCC)C(C)C 2235513149 INBRTBUVGMDPNJ-ZWKOTPCHSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(F)ccc1OC 2235541966 NHIDBRQORXYPCQ-INIZCTEOSA-N 279.399 4.751 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@]1(C)C=CCN1 2237103271 PVNPJEXOEIAHGA-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCCCCCCCCCO[C@H](CN)c1ccc(C)o1 2239489103 FVAFFMPPOLKRBO-QGZVFWFLSA-N 281.440 4.745 30 10 CJEE CCCCCCCCCCOC(=O)c1csc(CN)c1 2239503560 MIUTYSFXCUKLOZ-UHFFFAOYSA-N 297.464 4.504 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NCC)C1CCCCC1 2239509679 GRGQSOPYJKEQOV-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CC(C)(C)CC[C@H]1NCC 2239509766 HSQYGVNYQKLKNJ-ZACQAIPSSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](O)CC2(CCC2)C1 2239548456 ZWKBSUSORULQLB-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@@H](CN[C@@H](C)CC)C1CCOCC1 2240114301 RUYBSKOYUSOYLJ-WMZOPIPTSA-N 283.500 4.778 30 10 CJEE C=CC[C@H](C=C)O[C@@](C)(CCCCCCCC)C(=O)O 2240617838 KIUIGQIADBTYMS-RDJZCZTQSA-N 282.424 4.728 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1COC(C)(C)C1 2240642394 LUHOAEQMINTEAX-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1ccsc1C 2240642919 ROOQLGQDJJZZNB-DLBZAZTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)c1ccc(C)cc1 2240656438 GSTNJDDISFETLN-SFHVURJKSA-N 276.420 4.679 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1c(Cl)c(C)nn1C 2240892452 FCKCPOWYJSPVSA-CQSZACIVSA-N 297.874 4.559 30 10 CJEE CC1(C)CC(CSC[C@H](CS)C2CCC2)C1 2243627097 NIKJETUIYSLLJQ-ZDUSSCGKSA-N 258.496 4.502 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2255396778 CQVFXEAYJCTFIM-ZDUSSCGKSA-N 288.218 4.619 30 10 CJEE C=CCCCCC[C@H](NC)C1(C)CC(C(F)(F)F)C1 2264649311 BAEKQESAGVRFLH-MOKVOYLWSA-N 277.374 4.690 30 10 CJEE CCC1(C)CCC(N(C)CC2(CS)CC(C)C2)CC1 2265314720 XXFVXJVARVFFJQ-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE CC(C)(C)C#CC=CCn1ccc2ccc(Cl)cc21 2268758248 GJEMXBGYPZHNJP-UHFFFAOYSA-N 271.791 4.900 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC12CCC2 2270129295 PVMGDGCVZQHCDF-WOSRLPQWSA-N 267.363 4.922 30 10 CJEE C=CCCS[C@H]1CC2(CCCCCC2)CC[C@@H]1NC 2271595229 WACPRNCRWCHPCZ-HOTGVXAUSA-N 281.509 4.777 30 10 CJEE C=C1CC(C[C@H](NCCC)C2CC3(CC(C)C3)C2)C1 2272224583 BKEMGZUYMPWPTB-QVNWPQDDSA-N 261.453 4.537 30 10 CJEE C=CCC[C@H](C)C(=O)Cc1cccc(C(C)(C)C)c1 2274440517 IWIGPQSDKSMHGB-AWEZNQCLSA-N 258.405 4.698 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1nc2ccccc2s1 2277995169 KORNSRBDJSAIHE-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C=C(C)CC[C@@H](N)[C@@](C)(O)CCCCCCCCC 2278234096 KNGGBSICDASRFO-SJORKVTESA-N 269.473 4.562 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1OCC[C@@H]1C 2278237363 PPVVUVBWCGKLTE-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCSCCC[C@@](C#N)(CC)NCCC 2278261971 XOHOCRKMJWRGBF-MRXNPFEDSA-N 284.513 4.752 30 10 CJEE CC1(C)OCCC[C@]1(C=O)CC[C@@H]1CCCCC12CC2 2279657805 UNNGZIYAOQRBBQ-MAUKXSAKSA-N 278.436 4.511 30 10 CJEE CC(C)(C)C#CC=CCN1CCC2(CCCCCC2)C1 2284177356 HGGTWAHRJLPSLC-UHFFFAOYSA-N 273.464 4.638 30 10 CJEE C=CC[C@H]1CCCCN1CCCCCCCCCCO 2286802547 KEGTUIWILIGOCO-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCS[C@@H](C)[C@@H](NCC)c1ccc(CC)cc1 2287075520 DIIQOXICSPSMNB-MAUKXSAKSA-N 291.504 4.988 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1sc(C)cc1C 2287373524 WKDIEOOOSDAZLR-CVEARBPZSA-N 295.492 4.513 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1nccn1C(C)C 2287470963 WNLOHAVGCFKMKB-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCCCOCC[C@@H]1CCCC[C@H]1O 2288736680 SRANNHCLJQGCNN-ZWKOTPCHSA-N 282.468 4.861 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H]1CCCCC1(C)C 2289680888 IOGKTPYPMWWKRR-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1sc(C)c(C)c1C 2289685073 BLQVKCIZRCJAQT-KRWDZBQOSA-N 289.488 4.908 30 10 CJEE CCCCCCCCCC[C@@](C)(OCC(=O)O)C1CC1 2290572827 LPXXTNHSENGIHD-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=C(C)CCC(CC(C)C)(CC(C)C)OCCC(=O)O 2291444707 ITIIYUZHOMVGEE-UHFFFAOYSA-N 284.440 4.665 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@@H]1[C@@H](C)[C@H]1C 2292645563 FZOQPMCHPQOACN-XWTMOSNGSA-N 281.484 4.539 30 10 CJEE C=CCCCCCC[C@H](OCCN)C1(C)CCCCC1 2292799482 FALZFZJKCIKWLP-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCCCC12CC2 2293376366 XMDGGCZKEHBPKP-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1[C@H]2CCC[C@H]21 2293562687 BUIJFHOBOQRHJR-MHORFTMASA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC(C)=C1C 2293689297 XEBGYMRCRGGHRI-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=CCC[C@]1(OCCCN)CCC[C@H](C(C)(C)C)CC1 2293722655 UKXFSFSBSLKICP-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1CC 2294452327 ITUMTESNLPRGKS-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@H](COC)C1 2295676147 IISNNFDVORZLOO-KSZLIROESA-N 283.500 4.920 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(OC(F)F)cc1 2295979675 BSKCLJIRHHRKAH-DOMZBBRYSA-N 283.362 4.541 30 10 CJEE C=CCCN(C)CCCCCCCCCCCNCC 2296285721 DFDVUTZHRRDFON-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE CC[C@H](C)N[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301288217 BTCLWKIQMCEJFN-XVKPBYJWSA-N 291.609 4.600 30 10 CJEE C=CCCCCCCN[C@@H](C)C1(Cl)CCCC1 2302180803 QOLQWOTWXVKULW-AWEZNQCLSA-N 257.849 4.653 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)s1 2304024419 KPDIATRZTQCXPN-GJZGRUSLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)cs1 2304027613 JSCYBAGLNQUICY-HUUCEWRRSA-N 251.439 4.700 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@@H]2CN[C@H]1C2 2308478326 SQHIXSCNVMGTTM-OWCLPIDISA-N 255.421 4.607 30 10 CJEE Cc1ncccc1C=CC(=O)c1cc2ccccc2s1 2310467495 HEFAGXGXLOBBIK-UHFFFAOYSA-N 279.364 4.501 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCS1 2311616828 PEEIOKLQQZEDDL-JYJNAYRXSA-N 263.450 4.772 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC[C@H]1NCCC 2313651355 NAZJEBLBMQRZHG-CVEARBPZSA-N 267.482 4.551 30 10 CJEE C[C@@H](CC1CC1)C1(C=O)CCC(C(C)(C)C)CC1 2313661618 WWLQVKASUSSPGM-KTAKPFMOSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](C)Sc1ccccc1[C@@H](CC)NCC 2313693336 WLFNKRYGXKZGKO-UKRRQHHQSA-N 263.450 4.804 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC2(F)F)CC1 2313720502 CVBYRLMCFFBSHY-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE CCc1ccccc1COCC(CC)(CC)CS 2315967998 DEXIETMZHFEGJU-UHFFFAOYSA-N 266.450 4.502 30 10 CJEE CC(=CCC#Cc1nc(C)cs1)CCCC(C)C 2316566171 VBERFKLFYODJOU-UHFFFAOYSA-N 261.434 4.966 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H]1CC[C@@H]1C(C)(C)C 2320194239 HECHCQHOOXLHPP-PMPSAXMXSA-N 251.458 4.913 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@]23CCCC[C@@H]2CC3)C1 2334759274 GOCZIWXKPMYYJY-KZNAEPCWSA-N 261.453 4.681 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 2337110634 CQDISADVKWJWAP-AAEZLKGMSA-N 261.453 4.536 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21 2338738169 KJBVMEFKMNKQQL-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2338739772 YVHJPTFVSYLYEU-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1ccc(SC)cc1 2339962998 CXUYHXJWWSHTPI-ZDUSSCGKSA-N 267.397 4.563 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(F)nc1C 2340090819 QWMBJWRVEANUGS-HNNXBMFYSA-N 267.388 4.703 30 10 CJEE C#CCCCCCOCc1cccc(C2CCC2)c1 2343809731 UUZOQQCBMWIVHQ-UHFFFAOYSA-N 256.389 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(C)cc(C)cc1C 2344349810 WHDGPRUWHWOTSE-MSOLQXFVSA-N 259.437 4.865 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H]1CCCC12CC2)NCC 2344358479 VJRPCYXFIZBJHN-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCC[C@@H](C)CC1 2352213575 BDKQDATUJGEPQK-CJNGLKHVSA-N 282.449 4.664 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCC[C@@H]1C[C@@H]1C 2358947993 MABFKCFMOROFHZ-BSDSXHPESA-N 283.500 4.642 30 10 CJEE CC[C@@H](Nc1ccccc1C#N)c1cccc(Cl)c1 20001466 YAQRSQACVIUCFU-OAHLLOKOSA-N 270.763 4.775 30 10 CJEE CCN(C1CCCC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35766049 YXVBFUNLSOBQHO-INMHGKMJSA-N 276.468 4.605 30 10 CJEE COc1ccccc1N[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 37938658 JFTHTXYYDRQWJM-SJLPKXTDSA-N 286.419 4.606 30 10 CJEE N#CCc1ccc(Nc2nc3cccc(Cl)c3s2)cc1 51601768 UKEYJKKTKGENET-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE CCCCCN(C(C)C)[C@@H](CC#N)c1ccccc1 55020562 CXHRWATUACYULY-KRWDZBQOSA-N 258.409 4.542 30 10 CJEE C=CCc1cc(C=O)cc(C)c1OCCCc1ccccc1 66117651 UONOCGTZGNHMSJ-UHFFFAOYSA-N 294.394 4.548 30 10 CJEE C=CCCC[C@@H](O)C1(c2ccccc2)CCCCC1 71276307 NBJIHZQIPXHIFG-QGZVFWFLSA-N 258.405 4.606 30 10 CJEE CCSc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 83192735 UTCBUDHYHAQXEJ-AWNIVKPZSA-N 298.407 4.703 30 10 CJEE CCC(CC)(CS)CSc1ccc(F)cc1 87096080 LTVCDDLWXOZOOR-UHFFFAOYSA-N 258.427 4.654 30 10 CJEE Cc1cc(Cl)cc(C)c1OCCCC(C)(C)C#N 87608918 PEERYVDBGGDLLR-UHFFFAOYSA-N 265.784 4.666 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc3c(c2)CCC3)C1 87972538 PEDVASJHLZXGBT-BEFAXECRSA-N 267.416 4.828 30 10 CJEE C=CCC[C@H](NCC)C1CCC(C(C)(C)C)CC1 87987968 SGVMPFVBOYUYFT-GPANFISMSA-N 251.458 4.783 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1c(C)cccc1Cl 90537774 MLYODSDKRBJKOR-UHFFFAOYSA-N 292.810 4.697 30 10 CJEE CCc1ccc(OC[C@@H](CC)CS)c(C(C)(C)C)c1 94582379 IAGVRSNGVXGVSB-CQSZACIVSA-N 280.477 4.881 30 10 CJEE CCc1cc(OCC2(CS)CCCC2)ccc1Cl 94584448 IGGHRZSMQVLQLU-UHFFFAOYSA-N 284.852 4.771 30 10 CJEE Cc1cc(CNc2ccc(C#N)c(Cl)c2)cc(C)c1F 94894810 HVUNTSXKMPVJMS-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE SCCCCc1ccc(SC2CCCC2)cc1 96890989 VHYWIRJBGUOXBY-UHFFFAOYSA-N 266.475 4.974 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(Cl)cc1F 97208745 QAUYPVSSJNCUFC-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(F)c(Cl)c1 97208748 IADVCIRHXRHOTE-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCC#CCCc1ccc(OCCCCC)cc1 107575701 AIZPELSEZRKCBD-UHFFFAOYSA-N 258.405 4.992 30 10 CJEE CCCCCCCCCC(=O)Cc1csc(C)n1 108174361 QOMIZNJYGQSPSP-UHFFFAOYSA-N 267.438 4.704 30 10 CJEE CCCCCCCCCOC(=O)c1ccc(N)cc1Cl 109895299 FBPCGPNFDXTGAB-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@@H]1C1CCCC1 110024599 UHWUFKMLOXHQTL-RTBURBONSA-N 294.527 4.719 30 10 CJEE CCCCCCCCCCCCNCCCCN(C)C 110167891 YFBOVUKPNMJPBM-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)CCOC1 110213396 CCYGREKAFGEYLO-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CC1CCC(CNc2ccc(C(F)(F)F)cc2C#N)CC1 110259239 LCQZHPLJWYCVAO-UHFFFAOYSA-N 296.336 4.815 30 10 CJEE CCCCCCCCCCCCN1CC(C)(C)NC[C@@H]1C 114060452 GSMCISQHBHXBSW-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCN1C[C@@](C)(CC)NCC1(CC)CC 114067756 MKACPLFVHGRJGP-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCO[C@@H](CC)C1 114876003 QKSNUOKCNUQWOL-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCOc2ccccc21 115844588 VMFQPACJDZCOHT-AEFFLSMTSA-N 289.463 4.891 30 10 CJEE CCCCCCC[C@H](N)c1cc(F)c(C)cc1F 122069022 FFPWTLUVQXKCNV-HNNXBMFYSA-N 255.352 4.634 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)c(OC)cc1C 124662842 LZCZWCGQINDGHO-KRWDZBQOSA-N 292.467 4.567 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](CC)OCC 125170531 SXBZYVBJXICZFV-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC(=O)C#Cc1ccccc1 139146938 PCZVKPGISCZFHJ-UHFFFAOYSA-N 256.389 4.748 30 10 CJEE C=C(CC)C[C@H]1CCCCC[C@@H]1CNCC(C)C 155866518 UPGDYZVBMAVUEA-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cc(F)cc(Cl)c1 161090648 JFCIUTQLZINUMV-CQSZACIVSA-N 295.144 4.809 30 10 CJEE Cc1ccc(OCc2ccc(C#N)cc2Cl)c(Cl)c1 162988930 QWPWRKBKABKSME-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@](C)(CC)OC 163537580 RDUVDGQXCAUHSL-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 169067982 REGCVKPOTWMJBY-KSZLIROESA-N 263.469 4.621 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 185655237 IJAIPJNBKDOWEP-CRAIPNDOSA-N 285.431 4.569 30 10 CJEE Cc1nc(-c2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)cs1 185718282 YERCCGJWLCBUGP-ZFWWWQNUSA-N 297.427 4.613 30 10 CJEE CCCCCCCCCCNc1ccc(OC)cc1N 213436007 XGVQCGOTHPPWEW-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE Cc1cc(C)cc(CSc2c(C)cccc2C#N)c1 221502732 MXOJWZIBFWNHQP-UHFFFAOYSA-N 267.397 4.776 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1cccc(C#N)c1F 221998946 NWWXZNFDKLQULG-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](N)c2ccc(F)cc2O1 229138127 UATJVMAYKCYDIL-DOTOQJQBSA-N 279.399 4.727 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCc2cccnc21 229818385 FPRAKLREJRTRTM-SJORKVTESA-N 274.452 4.579 30 10 CJEE CCCCCCCCCCNc1ccc(F)nc1 232922743 CTLUDLHNLNTBOP-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE C=CCCCCC[C@@]1(C(=O)O)CCC[C@H](CC)C1 234051808 HGPVOQVXSZTIDA-GOEBONIOSA-N 252.398 4.794 30 10 CJEE Cc1ccc(CNc2ccc(C#N)c(Cl)c2)c(Cl)c1 235880340 PYAJJWIETITHTA-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)c1ccc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 252820042 NVMQJDCRVVWMSF-SZMVWBNQSA-N 253.389 4.682 30 10 CJEE Cc1cc(C)c(C=NN=Cc2c(C)cc(C)cc2C)c(C)c1 254593787 UIJLCENRBFHLBI-UHFFFAOYSA-N 292.426 4.990 30 10 CJEE CC(C)(C#N)CNc1ccc(C2CCCCC2)cc1 258867086 GKHIYYVRIQQPLO-UHFFFAOYSA-N 256.393 4.696 30 10 CJEE C[C@@H](C#N)CC1CCC(C[C@H](F)C(F)(F)F)CC1 261129859 LGKVQYAVFMCHBG-YYJSSNLHSA-N 265.294 4.633 30 10 CJEE CCCCCCC[C@@H](NN)[C@@H](CCC)CC(C)C 308078278 YGSIOTCSAMWCRK-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE CCCCCCCCC[C@H](NN)c1sccc1F 310770258 OZFQRKCKPUFXNT-ZDUSSCGKSA-N 272.433 4.532 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H]1CCC[C@H](C)C1 311002745 NNFBMGYLKCOHJF-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(OC)s1 311044083 PLFCTXFFSVPJFV-ZDUSSCGKSA-N 269.454 4.768 30 10 CJEE CCCCCCCCC[C@H](N)CCC1CCOCC1 311778372 YBOBXLWOJUJSHX-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CC1(C)CCC(C#N)(c2nccc3ccccc23)CC1 312519518 BNQTZRRSGLRUJI-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE C=CCCCCN[C@@H](Cc1ccccc1)c1ccccc1 314366859 YMZBVCNXMLLLKE-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE Cc1ccc(Br)cc1C[C@]1(C#N)CCC[C@@H]1C 314475706 BAIYBJAOUYVTGP-WFASDCNBSA-N 292.220 4.630 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cccc(C(F)(F)F)c1 316940884 GYUJYCHZSNQSPW-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1 317956854 JBENHXAYDBWGQO-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@]1(CNCCC)CCCc2ccccc21 318557996 IOPOMLMGHPKZAD-LJQANCHMSA-N 271.448 4.617 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1ccc(OC(F)F)cc1 381758952 WPAHCKUPMZNYPD-SMDDNHRTSA-N 267.319 4.577 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCCCC1(F)F 384818932 DTFDHEMQSCLKQA-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCCC1CCC(C#N)(CCC2CCOCC2)CC1 389204822 SFKXJTSXZZANSX-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 398054238 CPOHFUVESLOGLX-STQMWFEESA-N 283.362 4.683 30 10 CJEE N#Cc1ccc(CSc2ccccc2Cl)cc1F 404714742 CDCHUCMAXORBLM-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=CCCCN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 524842802 VLKNQUKMZIHVDI-HXUWFJFHSA-N 295.426 4.649 30 10 CJEE C#CCCCCC[C@H](NCC)C1CCC(C)(C)CC1 686679422 ATVKJCFONAXTNE-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC 686693858 YUBAUWVQKBFYDW-INDMIFKZSA-N 275.480 4.765 30 10 CJEE C[C@H](/N=C1/NC2(CCCCC2)CCS1)c1ccccc1 687320160 UFZCOKFFHXCFRO-AWEZNQCLSA-N 288.460 4.533 30 10 CJEE Fc1ccc(N=C2NC3(CCCC3)CCS2)c(Cl)c1 687325488 DWIAFOPVSZKGCX-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE Cc1ccc(CC2(C=O)CC(C)(C)CC(C)(C)C2)cc1 688280081 NPBGDYGJLCGEDP-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H](C)SC1 689642205 OBDDVKJSGCCBFE-SOUVJXGZSA-N 257.487 4.609 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]1OC 690012250 ATDSOMJULTWFEZ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE Cc1c(Cl)cc(NCC2(C#N)CCCC2)cc1Cl 690286847 XZEBLEIHUSMWKU-UHFFFAOYSA-N 283.202 4.798 30 10 CJEE CC[C@H]1CCCCC[C@@]1(O)C1(C#N)CCC(C)(C)CC1 691105584 QUNMHYLETLALKP-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@@H](C2CCC2)CCC1=O 695977807 TVUWOEXWGDQJJC-JKSUJKDBSA-N 278.436 4.702 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@@H](CC)CCN 696158646 JSGVMICNVGXTAH-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCC(=O)c1cnc(C2CC2)s1 699897253 IVMJBWITWZMLFG-UHFFFAOYSA-N 251.395 4.564 30 10 CJEE Cc1ccc(SCc2ccc(C)c(C#N)c2)cc1C 701874485 KTPZCRRUAWKZGD-UHFFFAOYSA-N 267.397 4.776 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCCSCC1 701987994 BXLRFZSXUUYVGA-HOTGVXAUSA-N 271.514 4.988 30 10 CJEE CCCCCCCN[C@@H](C)c1cc(F)c(C)cc1F 705965456 OKZKGCCGGAFUNX-ZDUSSCGKSA-N 269.379 4.894 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cn(C)c(C)n1 706133868 QODDDLGJBQXQJF-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@H]2CCC[C@H]21 707849428 YPEBPDXXGQERON-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCCSCCNC1CCC(c2ccccc2)CC1 710182496 GQODATGDBINYSV-UHFFFAOYSA-N 289.488 4.612 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714408908 FWNRBHAEBPPJAK-MLHJIOFPSA-N 261.453 4.504 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714427876 KHLMJDUYBYOSGP-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2cc(C)ccc2o1 715792280 ASRKKQCVLYQOMS-SUMWQHHRSA-N 257.377 4.604 30 10 CJEE C[C@@H](N[C@@H]1CCCCCC1(C)C)c1cccc(C#N)c1 718952568 ACFYVIBFFWHSSW-RHSMWYFYSA-N 270.420 4.568 30 10 CJEE C=C1CCC(C[C@@H](CC2CCSCC2)NCC)CC1 724597467 YNKVPQSMSVMUDG-KRWDZBQOSA-N 281.509 4.634 30 10 CJEE C[C@H](CC(C)(C)C)/N=C1/N[C@@H](C2CCCCC2)CCS1 725073575 YNMINEMJMIFRFG-UKRRQHHQSA-N 296.524 4.843 30 10 CJEE N#Cc1c(C(F)F)ccc2sc(C(F)(F)F)cc12 725277065 ZELJRJSAMROPJG-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=C[C@H](CC)CC(=O)NCC1(c2ccccc2)CCCCC1 1124706233 SRBJVVOBVIGLJV-QGZVFWFLSA-N 299.458 4.607 30 10 CJEE C=CCC1(C(=O)NCC(C)(C)c2ccccc2C)CCCC1 1125640588 AFKNNICKXGVRRR-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)CC(C)(C)C)c1ccccc1 1125674518 GAYGBBAWGSIXAM-QGZVFWFLSA-N 287.447 4.631 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CCCC1 1131111486 MNTRSFKKYSKXQC-JKSUJKDBSA-N 291.479 4.702 30 10 CJEE C=CCC1(NC(=O)CCCC[C@H](C)CC)CCCC1 1131251491 MQIGMGHVFJFTOV-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=CC[C@H](NCc1ccc2ccccc2c1)c1ccncc1 1177885317 OYYJQYRWMPXTRV-FQEVSTJZSA-N 288.394 4.642 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@H]2CCC[C@H]2c2ccccc2)C1 1178794949 FOOVEJLAKSYNRN-LMCOJAPRSA-N 283.459 4.905 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc2cccc(OC)c2o1 1179142336 FHIKZXQYUYZRRB-WMLDXEAASA-N 299.414 4.666 30 10 CJEE C=C1CCC(CNCc2cccc(OC3CCCC3)c2)CC1 1179541992 UZTWYQITBQWJHV-UHFFFAOYSA-N 299.458 4.844 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1cccc(C(F)(F)F)c1 1206778097 YUCFYRLSMJAXDI-CYBMUJFWSA-N 299.380 4.828 30 10 CJEE C=CCCCC[C@H](C)NC[C@H]1C[C@H]1Cc1ccccc1 1207806851 YYSVOYWIRGFHIH-QXAKKESOSA-N 271.448 4.590 30 10 CJEE Cc1nc2ccc(Nc3ccc(C#N)cc3C)cc2s1 1210375978 HMUADAPAJXNIDG-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cncs1 1258230534 XONAWIGGUODCPP-AWEZNQCLSA-N 268.470 4.762 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CC)c(Cl)c2)CCC1 1271838948 MPTUDPUEDRJSHL-UHFFFAOYSA-N 277.795 4.587 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCC(C)=C(C)C1)c1ccccc1 1279069305 IEUBCJNZTKQQGZ-SJORKVTESA-N 270.372 4.593 30 10 CJEE C=CCCC1(CNC(=O)C2CCC(C)(C)CC2)CCCC1 1437627502 FFJGZZYNHYWLSG-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE CCCCCCCCCCN1CC[C@H]1C(F)(F)F 1460195472 KCMNYYFUIXYEEN-ZDUSSCGKSA-N 265.363 4.764 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](CCC)c1ccccc1 1462036289 GJNYKRMHYKMXDS-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(C)c2Br)C1 1462133919 OEEQNKCDEOMSPZ-STQMWFEESA-N 294.236 4.914 30 10 CJEE C=C(C)CN(C1CC1)[C@H](C)c1ccc2ccccc2c1 1473152684 GTRHBMUMRANVAH-OAHLLOKOSA-N 265.400 4.941 30 10 CJEE C=CCCC[C@H](N[C@H](C)CC1CC1)c1ccccc1 1474685763 ASTJNUFHBDCGMD-QAPCUYQASA-N 257.421 4.862 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(CC)c(Cl)c1 1476562932 PRRMONABKJTFCQ-UHFFFAOYSA-N 294.826 4.626 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1519856536 ZUROCSJMEYOBBS-LSDHHAIUSA-N 279.468 4.557 30 10 CJEE C=CC[C@H](C(=O)N(C)c1cc(C)cc(C)c1)c1ccccc1 1526281944 YKERWEQEIIESSB-IBGZPJMESA-N 293.410 4.626 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(-c2ccccc2)cnc1C 1528013295 PGCOHTXUXPBWOX-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE CCCCCCCCCN1CCc2cccc(F)c2C1 1559716582 OVJDNMOWNXDYOX-UHFFFAOYSA-N 277.427 4.934 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)c1ccc(Br)cc1 1560791990 WVJSIMZSPFNIBN-DOMZBBRYSA-N 296.252 4.845 30 10 CJEE C=CCC1(C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)CCCC1 1587191833 CRCKDBQAKGWMAV-HUUCEWRRSA-N 278.436 4.881 30 10 CJEE COc1cccc(F)c1C#Cc1ccc(C(C)(C)C)cc1 1614827308 UKSRTGMIFWMMFO-UHFFFAOYSA-N 282.358 4.532 30 10 CJEE C=C[C@H](CC(=O)NCC[C@@H]1CCCC1(C)C)c1ccccc1 1618464545 MDXIMWZDIFHWKW-AEFFLSMTSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)[C@H](C)c1ccc(OC)cc1 1621510624 CKFFALILEUMAOA-HOTGVXAUSA-N 289.463 4.769 30 10 CJEE Cc1cc(Cl)cc(C#N)c1OC[C@H]1CCCCC1(F)F 1644017512 BFFLWOSXFITGGT-GFCCVEGCSA-N 299.748 4.724 30 10 CJEE C=CCN(CCc1ccco1)[C@H](C)c1cccc(Cl)c1 1653044481 KVDKPKMLPQSSEX-CQSZACIVSA-N 289.806 4.725 30 10 CJEE C#CCOc1ccccc1CNc1ccc(CC(C)C)cc1 1657509187 FXCSNJPNRRTDQA-UHFFFAOYSA-N 293.410 4.509 30 10 CJEE C=CCC1(NCc2ccc3c(c2)CCCC3)CCCC1 1657676818 QRQFPYVBOITJRO-UHFFFAOYSA-N 269.432 4.544 30 10 CJEE C=CCC[C@H](CCC)NCC(F)(F)c1ccccc1C 1665340144 GRRGDOFJBZTAFA-HNNXBMFYSA-N 281.390 4.811 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H](CCC)C2)c1 1675381828 NAXBWRDOJLPAAQ-OAHLLOKOSA-N 286.419 4.764 30 10 CJEE CC#CCCCC[C@H](NCCC)C1CC(CCC)C1 1885229774 UJLQBVAVUJDGIW-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE C=CCC(CC=C)N(Cc1ccccc1)[C@H](C)C1CC1 1888152767 VEUKDLXKGNOAEH-MRXNPFEDSA-N 269.432 4.808 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C1CCC(C)(C)CC1 1888688736 JWYRCXQJWQPBMU-QGZVFWFLSA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@]1(N)CCCC12CCCCC2 1888705375 KCKZGSSUARQUBY-GOSISDBHSA-N 255.405 4.532 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)CC(C)(C)C 1918070897 YYEVFELCNIPDBB-QGZVFWFLSA-N 261.475 4.830 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCCC(C)(C)C 1919424684 XYVVHHZQZSRSMO-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(C)cc1F 1919507823 ABPZCWKBOUECKJ-MRXNPFEDSA-N 251.389 4.669 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(F)c(F)c1F 1919527473 WAQZSLZMVQTXMS-OAHLLOKOSA-N 273.342 4.638 30 10 CJEE C#CCCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 1920039694 ZMTYHJLSOHMFBS-OAHLLOKOSA-N 285.214 4.785 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CCCC12CCC2 1921595110 LUOCPYZPWWYHGY-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C=C([C@@H](NCC)C(C1CCC1)C1CCC1)[Si](C)(C)C 1922961516 AXEFWLGBHCVVQG-QGZVFWFLSA-N 279.544 4.615 30 10 CJEE C=C([C@@H](NCC)c1cc2ccccc2o1)[Si](C)(C)C 1922974174 PTKZZMMZGDLGAB-MRXNPFEDSA-N 273.452 4.517 30 10 CJEE C#C[C@@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 1925516209 MJWUTBHOQQJDMA-CQSZACIVSA-N 258.405 4.801 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C(C)C)C1 1927730556 SBTNYEOABVHJMG-QRQLOZEOSA-N 284.447 4.615 30 10 CJEE CC(C)[C@H](CC#N)Nc1cc(Cl)c(Cl)cc1Cl 1944263211 YZVYTYFIACJFOC-NSHDSACASA-N 291.609 4.997 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnsc1C 1945456047 KNJZVLXJAORCIS-CQSZACIVSA-N 254.443 4.592 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncc(Cl)s1 1948938203 BKSXVRKXKMNTAW-LLVKDONJSA-N 274.861 4.937 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cc(Cl)c(Cl)s1 1975915307 ZXECXUAFYFDIDT-KWQFWETISA-N 278.248 4.918 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc2cscc2s1 1975920349 KLUUFWAIXPOPNB-TVQRCGJNSA-N 251.420 4.565 30 10 CJEE CCCC#CCC(=O)c1c(Br)sc(C)c1C 1994208340 JPCDFTNOHQBJCK-UHFFFAOYSA-N 299.233 4.504 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(C(C)(C)C)s1 1996460312 IJMWAVIVYSWDNF-RISCZKNCSA-N 252.423 4.681 30 10 CJEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)CC=CCC1 1997602366 SELMLKJLHLWEQD-AWEZNQCLSA-N 266.171 4.786 30 10 CJEE C=CC1(CNc2cc(F)c(Br)cc2C)CCC1 2002639595 RSIZZWPTNCGCPJ-UHFFFAOYSA-N 298.199 4.665 30 10 CJEE C=C1CC(C[C@@](C)(N)c2ccc(Cl)cc2Cl)C1 2011043430 NQKCEHBSHSEAAR-CQSZACIVSA-N 270.203 4.524 30 10 CJEE CC(C)C1(C[C@]2(C#N)CCS[C@@H](C)C2)CCC1 2017128716 GJJHGSMHYDSDTF-KBPBESRZSA-N 251.439 4.628 30 10 CJEE CCCCCCCC[C@@H](NC)c1nc(Cl)cs1 2020257521 QDWWALXEYHYYIF-LLVKDONJSA-N 274.861 4.808 30 10 CJEE SC[C@H](CSc1nc2ccccc2s1)C1CCC1 2029285823 WVSNRJYELIAAQJ-LLVKDONJSA-N 295.498 4.735 30 10 CJEE CCCCCCCCCCCC[C@@H](F)[C@@H]1CCN1 2033293117 IDUHLGKVCRKCHC-CVEARBPZSA-N 257.437 4.997 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCC(C)(C)C1)C(C)(C)C 2035429730 WXRICLXLJJQPPA-CABCVRRESA-N 251.458 4.783 30 10 CJEE CCCCCCCCCNC[C@@H]1CC12CCCC2 2036129154 PGLYEKVVCHRBGX-INIZCTEOSA-N 251.458 4.907 30 10 CJEE C=CCCC[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1 2039380611 KBFGRPLSPWQYSX-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC(=Cc1ccc(Cl)cc1)C(=O)c1cccs1 2040461461 RDVNDCXIRSJYSR-UHFFFAOYSA-N 262.761 4.688 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)CC[C@@H](C)CCS)CC1 2041530111 OGTIOGQSOGUSBI-OAGGEKHMSA-N 271.514 4.623 30 10 CJEE CCCCCCCC[C@]1(C#N)CCOC(C)(C)C1 2043354302 DIOURQPHEHMQAV-INIZCTEOSA-N 251.414 4.836 30 10 CJEE C=CC[C@@H](C)C(=O)c1ccc(SC(F)(F)F)cc1 2045587416 SXKRMCPMWQOFIX-SECBINFHSA-N 274.307 4.693 30 10 CJEE C=C(Cl)C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)o1 2045621827 CTTLSEOSEQOEOD-GFCCVEGCSA-N 282.170 4.742 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C(F)F)cc1 2045759774 ANDBAXFPPBUSBC-AWEZNQCLSA-N 253.336 4.631 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C(F)F)cc1 2045759775 ANDBAXFPPBUSBC-CQSZACIVSA-N 253.336 4.631 30 10 CJEE CCC[C@](C)(C#N)C1(O)CCCCCCCCC1 2045991142 WYVYDEAHUDWPAW-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCC[C@H](O)C[C@@]1(C)CCCC1(F)F 2048955164 CDZUFTMOYDQQKP-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2csc(C(C)C)n2)C1 2050597469 RGIIWJBXZMEPCD-IUODEOHRSA-N 262.422 4.529 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(C)c(Cl)s1 2053233059 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2090198268 FEUWOXBPLJDYLY-ZDUSSCGKSA-N 289.469 4.807 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(O)CCCCC 2092175728 CKIMTOAJCSXSHM-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE C=C1CCC(C[C@@H](NC)C(C)(C)C2CCCC2)CC1 2093213626 HXHDVAFCJWXFAA-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)C(C)(C)CC 2093460610 SXDMMCVRNCSYLH-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC[C@H](C[C@H](O)CC#CC1CCCCC1)C(C)(C)C 2093461512 BZISIZZYQAKEAR-IAGOWNOFSA-N 264.453 4.784 30 10 CJEE C#C[C@H]1CCN(CCCCCCCCCCCC)C1 2093853071 NVLDXDLIRNPXNB-SFHVURJKSA-N 263.469 4.862 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](CC)CCOC 2095661164 GVPZQIDGKOLUNI-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CCC[C@H]2C[C@H]21 2099181733 UVRWCYIQCVXZFK-GVDBMIGSSA-N 283.525 4.767 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cscc2OC)CC1 2100080779 QKYUMROLVSFVBN-OAHLLOKOSA-N 279.449 4.544 30 10 CJEE C=C1CCC(CC2(CNC(C)(C)C)CC(C)C2)CC1 2100316446 AFBRVMKMUWSLAC-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE 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CC(C)(C#N)CCNc1cc(C2CC2)ccc1Cl 2316235636 MHUCXJNHROUYPE-UHFFFAOYSA-N 262.784 4.569 30 10 CJEE C=CCC(CC=C)[C@H](N)CSc1ccccc1Cl 2316736111 IOEHJBVYNWRRCX-CQSZACIVSA-N 281.852 4.528 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H](CC)CC(C)C 2316751177 AVUKWNLJIHXOAK-NVXWUHKLSA-N 251.458 4.805 30 10 CJEE C=CC1CC(O)(CCCc2cc(Cl)cc(Cl)c2)C1 2318606619 BAWRQLUHXCBBEW-UHFFFAOYSA-N 285.214 4.643 30 10 CJEE CC1(C)CC[C@@H](C[C@]2(C=O)CCCCC2(C)C)C1 2319037355 QEYJKPYKHODFOW-PBHICJAKSA-N 250.426 4.988 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2319259779 ACNYHFKTCLAESY-QMTHXVAHSA-N 288.193 4.749 30 10 CJEE C=CCCCCCCN(C)C[C@H]1CCC(C)(C)C1 2319844580 AGGZUPSFXNGQBQ-INIZCTEOSA-N 251.458 4.881 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC1CC(C(C)(C)C)C1 2321107086 DBKXQIVUPPKYSL-BOXZVXIZSA-N 251.458 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1CC12CCCCC2 2321236904 IJZIXXCGLFQIKV-JYJNAYRXSA-N 250.426 4.700 30 10 CJEE CC1(C)CC(CS)(COc2c(F)cccc2Cl)C1 2321740582 BNTNZRXBEBEMIQ-UHFFFAOYSA-N 288.815 4.594 30 10 CJEE C=CCN(Cc1cc(F)c(Cl)cc1Cl)C(C)(C)C 2325258337 KFFBTJFULYXYBI-UHFFFAOYSA-N 290.209 4.919 30 10 CJEE C=C(C)CC[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329822915 YABVBKQPXBDYTM-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334314915 FUZJKTWRQQQSBY-SYAUCNOPSA-N 260.421 4.764 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCC[C@H]1NCC 2335096919 SBWZHXCQMOKZCM-SJORKVTESA-N 281.509 4.941 30 10 CJEE C=CCC(CC=C)C1(CNC(C)(C)C)CCSCC1 2338728765 YNSCWHAQPYEIMP-UHFFFAOYSA-N 281.509 4.656 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cccc(C)c1F 2338733627 UPGRUMKZPFDMQD-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccc(CC)o1 2338741610 OWOTUSDQXJRYOA-KRWDZBQOSA-N 261.409 4.651 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(F)cc(Cl)c1 2338748365 XXXURFSIDMEWTI-INIZCTEOSA-N 281.802 4.898 30 10 CJEE C=C(C)CC[C@H](C)Nc1cc(C(F)(F)F)c(C)cn1 2338766365 VBKMUMILGKCDRZ-NSHDSACASA-N 272.314 4.566 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(F)cc2C2CC2)CC1 2339212420 CNTTWYZLCVKABL-LLVKDONJSA-N 258.336 4.632 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC#CCCCC)NCCC 2344344954 UQZGDYGFGFYVAI-QZTJIDSGSA-N 263.469 4.931 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21 2344349204 QTVSMXIRJUPHTQ-LTIDMASMSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1C[C@H]1c1ccccc1 2344370576 CSSQRPIWVBMYIT-XYJFISCASA-N 256.389 4.742 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1csc(C2CC2)n1 2344385999 SXCLYMJJCQNGMZ-GOEBONIOSA-N 278.465 4.664 30 10 CJEE C=CC[C@@H](C)C(=O)c1cc(Cl)ccc1OC(F)(F)F 2344419848 JVFNAQIAGOIZQF-MRVPVSSYSA-N 292.684 4.634 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Cl)c(F)cc1OC 2344477111 QSGODNBVGQXODQ-GJZGRUSLSA-N 286.774 4.514 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1NC2 2345964630 WYFNRXYJQTUQNE-BRWVUGGUSA-N 269.448 4.997 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@@H](C(C)(C)C)C1 2352008433 LBUPXSULHOYYSQ-ZENOOKHLSA-N 284.465 4.744 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@@H]1C[C@H]1c1ccccc1 2357777179 RCWFIEOLRJSRKY-LNLFQRSKSA-N 270.416 4.966 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)[C@@H](C)CC1CCC1 2360334046 PRPWAWCIDYLMIX-RDJZCZTQSA-N 282.468 4.883 30 10 CJEE SCCCCCCCCCOc1cccc2c1CCO2 2360480436 ABWNUYUOTUPXTD-UHFFFAOYSA-N 294.460 4.661 30 10 CJEE CCc1cccc(C)c1/N=C1\NC[C@H](c2ccccc2)S1 35294313 GOWJVDUTGKEKAE-MRXNPFEDSA-N 296.439 4.623 30 10 CJEE C[C@H]1CCC[C@H](C)C1Nc1cccc(OCCCC#N)c1 37777395 LCJHABGCNDOSPU-GJZGRUSLSA-N 286.419 4.606 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1C)c1ccc(F)cc1 50429498 MRBLNHIGOAETDW-INIZCTEOSA-N 268.335 4.569 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2ccc(Cl)cc2)c1 57685033 NXBHBDPLPXDZMT-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2cccc(F)c2)cc1C 57688916 QDFACQRXTVYFQV-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE CCCCCCCOc1cc(CNC(C)C)ccc1OC 59178893 VXNQVNGHEOUDJJ-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccc(OC)cc1 59526296 DQUDHDLMUCWTTL-OAHLLOKOSA-N 292.419 4.644 30 10 CJEE C=CCNc1ccc(-c2nc3ccccc3s2)cc1 75825229 LKHYJCQUZOBSKG-UHFFFAOYSA-N 266.369 4.561 30 10 CJEE 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XCTMHENTVSQPSD-MRXNPFEDSA-N 284.394 4.610 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(C)cc1)NN 125948261 HGJNVYHPXHRAGT-GOSISDBHSA-N 276.468 4.510 30 10 CJEE CCCCCCCC[C@H](NN)c1sccc1Cl 130329340 LFEHBHVINZHAOV-LBPRGKRZSA-N 274.861 4.657 30 10 CJEE CCCCCCCCCC[C@@H](NC)C(C)(C)OCC 132363087 IZXSKYYPBNKPSK-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCSc1cccc(S[C@H](C)CC)c1C#N 136990950 FKWOQIRTMRSVRQ-SNVBAGLBSA-N 251.420 4.561 30 10 CJEE CCCCCCCCC[C@H](CCc1ccco1)NC 139453300 HXSSCYGJNGTIBL-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE COc1ccc(C#N)c(Nc2cc(Cl)ccc2Cl)c1 149896218 CAUJAIDNURIHQE-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE N#CC1(C[C@@H]2Cc3cc(F)ccc3O2)CCCCCCC1 156740911 JYBKRKFVHOLFOI-INIZCTEOSA-N 287.378 4.774 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCN2CCC[C@@H]2C1 156902815 WLOWVTDHTOIXCG-QZTJIDSGSA-N 281.484 4.507 30 10 CJEE C[C@@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)CC1 159005263 ORQQNNFPDQXENW-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CCCCCCCCNC1CC(c2ccc(OC)cc2)C1 159137733 VQWYPZZATWNTJN-UHFFFAOYSA-N 289.463 4.891 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](OC)C(C)(C)C 159807162 CIFQBWSLRNUZNL-HUUCEWRRSA-N 257.462 4.516 30 10 CJEE C=CC[C@@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 162621935 YZQVUZUPVPNZPY-QMTHXVAHSA-N 272.219 4.999 30 10 CJEE CC1(C)CCC(C#N)([C@](C)(O)CCCC(F)(F)F)CC1 163799258 JWCPBNYLKAFNAQ-CYBMUJFWSA-N 291.357 4.580 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C)cc1Br 167702567 IGCMNTIZAONUCU-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCCCOCCNCC1CC1 168775834 MQQWPZSFUKEKCQ-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CC)CC[C@@H]1CNCC(C)C 219363227 WOOPDQHQFVGEDR-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCCc2cccnc21 229781956 TZKCPXGZIPHTIP-IAGOWNOFSA-N 274.452 4.579 30 10 CJEE CCC(=CC(=O)c1cccc(Br)c1F)CC 232880722 RSZFJKRUMZGTQT-UHFFFAOYSA-N 285.156 4.517 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(C(F)(F)F)cc1 236315821 YBENGLNRYIYBCU-CQSZACIVSA-N 271.326 4.842 30 10 CJEE O=C(C=C1CCCCC1)c1cccc2ccccc12 236405381 LLSWGWQNFULZHI-UHFFFAOYSA-N 250.341 4.913 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)C1 251734940 JBQUVYABOSFZPQ-MDMSPXHWSA-N 290.495 4.851 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CN 300257407 ODBQBJLARIJZCR-BBWFWOEESA-N 251.458 4.770 30 10 CJEE CCCC[C@H](CC)Nc1cc(Br)ccc1C#N 300436968 RAZFERAVMJIQGL-ZDUSSCGKSA-N 295.224 4.701 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H](OC)C12CCC2 308330407 BJBWGUUYMQCUGP-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C([C@H](NCC)c1csc2ccccc12)C(F)(F)F 311547646 VIMUCSHWAKLJRH-ZDUSSCGKSA-N 285.334 4.670 30 10 CJEE CC(C)c1ccc([C@@]2(C)CCC[C@H](CC#N)O2)cc1 312118480 SJXAIWNSWMTDPP-IAGOWNOFSA-N 257.377 4.508 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCCC23CCCCC3)CC1 312995327 RAQPEWPKVJMSIK-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CCCC1CCC(C=O)(CCCSCC)CC1 317369137 VQGKMWMGKIBJHF-UHFFFAOYSA-N 256.455 4.695 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 380439678 BTKVGOYEHNNBDA-YGRLFVJLSA-N 285.284 4.816 30 10 CJEE CCCCCCCN[C@H](C)[C@H]1CC2CCC1CC2 382071976 HFDCQRFTOVCMFL-RDHHWEPZSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1ccc(Cl)cc1Cl 387266339 XEAYSPADQCOLBR-LBPRGKRZSA-N 286.246 4.726 30 10 CJEE C=C(C)CCNc1ccccc1OCc1ccccc1 390744882 PBBMPEPISDDOPB-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE C[C@H](C1CC1)N(Cc1ccccc1)C[C@@H](C#N)C1CCCC1 397451134 KCWYWMLJCKRXFU-OXQOHEQNSA-N 296.458 4.617 30 10 CJEE C=CCC[C@@H](Nc1cccc([C@H](C)OC)c1)C1CC1 537534231 WQJBWVLERBRHNN-SUMWQHHRSA-N 259.393 4.551 30 10 CJEE N#Cc1ccc(CNc2cccc(C3CC3)c2)c(Cl)c1 690073201 AIYSUBPTROVVPD-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](OC)C1CCC1 692672858 MPTVSSTVWRPAKO-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C[C@H](CCC#N)Nc1c(Cl)cc(Cl)cc1Cl 695834159 BDBFFFGIIZHUDL-SSDOTTSWSA-N 277.582 4.751 30 10 CJEE C[C@H](CCC#N)Oc1ccc(Oc2ccccc2)cc1 695860872 XZQOCEYCBXRKGW-CQSZACIVSA-N 267.328 4.550 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCCC[C@@H]1C1CC1 695969544 RFEVEPXZXRUBFG-CVEARBPZSA-N 274.795 4.614 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](N)CC(C)(C)C 696083440 GZGJJCKJJRVBBH-HZPDHXFCSA-N 271.489 4.642 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697312010 UUEDSGWUXUAIQE-NBHYWIONSA-N 273.464 4.536 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)CN1c1ccc(C#N)cc1Cl 699411184 LHXIWYNCBFLTIL-SUMWQHHRSA-N 288.822 4.617 30 10 CJEE Cc1ccc(C(C)(C)C)c(OC[C@@H](CS)C2CC2)c1 701997609 GGPZPMZIIJJXNX-AWEZNQCLSA-N 278.461 4.627 30 10 CJEE CCCCCCCCNCCc1cccc(Cl)c1 702919327 RINQTMPGZKZXAD-UHFFFAOYSA-N 267.844 4.833 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(F)cc1Cl 704931088 UAHAFFQJFHNYGL-SCDSUCTJSA-N 265.759 4.913 30 10 CJEE C[C@H](C[C@@]1(C=O)CCCc2ccccc21)C(C)(C)C 711206733 HGRYXIGUBXEKSP-RDTXWAMCSA-N 258.405 4.532 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](C)C=NO 714441629 HURRZQVDRIWTMP-MRXNPFEDSA-N 270.461 4.688 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(Cl)c1C 715703249 GGMKANNXTMBOKG-NHYWBVRUSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)c(C)s1 715706219 QRPZRMJCBAXRAR-XHDPSFHLSA-N 251.439 4.618 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1Nc1ccc(Cl)cc1C#N 717552089 DELBHJSSUAWYEB-NHYWBVRUSA-N 276.811 4.838 30 10 CJEE CC[C@](O)(CC1CCCCC1)C1(C#N)CCC(C)CC1 720399439 LHKSPBUORRZNMO-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE CC1(C)C[C@@]1(C=O)CCc1cc(Cl)cc(Cl)c1 722139760 MQVUCWKOVIMFTA-CQSZACIVSA-N 271.187 4.541 30 10 CJEE C=C1CCC(C[C@H](C)[C@@H](C)CNCC(C)C)CC1 724617156 OAIUWDVATJOHNV-HOTGVXAUSA-N 251.458 4.641 30 10 CJEE C=C1CCC(C[C@H]2CCC[C@@H]2CNC(C)(C)C)CC1 724620031 ZANOLVYUHSAUKW-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE N#CCc1cc2cc(C(F)F)c(C(F)(F)F)cc2s1 725277543 KGUIVYCQGHUMTM-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE N#Cc1c(OC(F)(F)F)sc2cc(C(F)F)ccc12 725291147 BNVBMRPDSRPNAH-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE CCN(CC)c1ccc(C=Nc2ccc(C)c(C)c2)cc1 1084475052 XGXFUDFKRCGSPQ-UHFFFAOYSA-N 280.415 4.900 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](c1ccc(F)c(F)c1)C(C)C 1127232861 NWDVIHSEDLWCQX-INIZCTEOSA-N 296.357 4.807 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C1CCC(CCCC)CC1 1127519937 PCOKNAQFUFXKPD-KLAILNCOSA-N 279.468 4.844 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(C(F)F)cc1 1143251974 IIOIULARMSEHAV-UHFFFAOYSA-N 287.353 4.812 30 10 CJEE CCCCCCCN1CC[C@H](C(F)(F)F)C1(C)C 1169300343 LVSITDBYDJJKQM-LBPRGKRZSA-N 265.363 4.620 30 10 CJEE C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)C1 1179336350 PFLDYKXQKPCZTN-MSOLQXFVSA-N 297.442 4.575 30 10 CJEE C=CCC1(NCc2cnc3ccccc3c2)CCCCC1 1196953484 XGSRGBZTFYCFQA-UHFFFAOYSA-N 280.415 4.603 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@H](C(C)C)CC1 1205477515 AVNODQNKYAEAQO-ROUUACIJSA-N 263.469 4.765 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@@H]2CC3CCC2CC3)c(Cl)c1 1207703607 HTLGCCGJHONARR-MFNGEMCRSA-N 287.834 4.948 30 10 CJEE C#CCCCCCC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1269352106 OZCDIRQGBDESMN-IRXDYDNUSA-N 291.479 4.681 30 10 CJEE C=CCCCN1CC[C@H](Cc2ccc(C(C)C)cc2)C1 1307655220 LDKBZWBCDKSFBI-GOSISDBHSA-N 271.448 4.641 30 10 CJEE C=CC(C)(C)CCCNCc1cc2ccccc2s1 1308510281 QDTDPBADSIBYMB-UHFFFAOYSA-N 273.445 4.983 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc2c(c1)oc1ccccc12 1310118927 VGGJQJIPDGASMP-UHFFFAOYSA-N 294.354 4.674 30 10 CJEE C=C(C)c1cccc(NC(=O)NC(CC)(C2CC2)C2CC2)c1 1311299018 QRFMCBDEOHIXQA-UHFFFAOYSA-N 298.430 4.810 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC(c2cc(C)cc(C)c2)CC1 1472259579 QRCIPJUUBPYWCP-QGZVFWFLSA-N 299.458 4.612 30 10 CJEE C=CCCCCCCCNC(=O)Cc1sc(C)cc1C 1527549708 QJKRKILXRFTXGX-UHFFFAOYSA-N 293.476 4.550 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(OCCC(C)C)c1 1528389578 GEUJTUCZKYLAFE-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(Cl)c(Cl)c1 1530695416 WWLJZWOOSITZEU-VIFPVBQESA-N 273.159 4.501 30 10 CJEE C=CCCC1(CNC(=O)c2cc(C)c(C)s2)CCCC1 1531944169 TVUPKMCLFREQFA-UHFFFAOYSA-N 291.460 4.621 30 10 CJEE C=CCCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 1536552965 PVSNGTYWLOIKLM-SFHVURJKSA-N 285.431 4.781 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)c(C(C)=O)c(C)c2)CCCC1 1536748168 VSYONJZQHCCSOF-UHFFFAOYSA-N 299.414 4.581 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCCC[C@H]2CC)CCCCC1 1543289019 RYGICBWYQIQWCT-HZPDHXFCSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N 1559235144 KJCMTINRLZKLGG-GDBMZVCRSA-N 297.446 4.798 30 10 CJEE C=CCCCCN1C[C@H](C(C)(C)C)c2ccccc21 1559797074 GAKBFZSNLUCLJS-INIZCTEOSA-N 257.421 4.993 30 10 CJEE C#C[C@H](CC)N[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1560819427 SEMIYEXTQCQCDD-WWGRRREGSA-N 296.241 4.631 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(Cl)c(C)c2Cl)C1 1560901198 NNWVQFGPBYGYIU-CYBMUJFWSA-N 296.241 4.537 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1OCCC(C)C 1570791687 USTNCQLSKLDUMH-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=CCCCNC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1586662640 VUTGBSIEQSVYCN-ROUUACIJSA-N 299.458 4.679 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1616654445 SQRYBFYNIGXNFH-GUYJKWIASA-N 263.812 4.591 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2csc(C(F)(F)F)c2)C1 1621025170 CXSKDKKCGKYDCW-CMPLNLGQSA-N 289.366 4.601 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(-c2ccncc2)c(C)c1 1636786088 ISZGQWJCQDASSD-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE CCCCCCCCCCN1CC[C@@H](C2CC2)C1 1642307437 GPTDCALESHHCIY-QGZVFWFLSA-N 251.458 4.859 30 10 CJEE C#C[C@](C)(CC)NCc1ccc(Oc2ccccc2)c(F)c1 1643154738 KBDXIGXQFPZKBM-LJQANCHMSA-N 297.373 4.510 30 10 CJEE C=CCC[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ccccc1 1645079595 BEFWJGSSXDNPQY-ROUUACIJSA-N 287.447 4.631 30 10 CJEE C=CCCCCCN1CC(C)(C)[C@@H]1c1cccs1 1646026071 KFCSULYJHGQUAZ-HNNXBMFYSA-N 263.450 4.877 30 10 CJEE C=CCCCCCNC1(c2ccccc2F)CCC1 1654847481 LYYFAYPXRVZYMW-UHFFFAOYSA-N 261.384 4.541 30 10 CJEE C#CCCCCCCSc1nc2ncc(Cl)cc2o1 1656907092 IJXPZJUCWWPTEV-UHFFFAOYSA-N 294.807 4.552 30 10 CJEE C#Cc1cccc(NC[C@H](CCC)c2ccccc2)c1 1657019795 NBMBURRDFDXBHZ-SFHVURJKSA-N 263.384 4.664 30 10 CJEE C#Cc1cccc(N(C)Cc2cc(Cl)cc(Cl)c2)c1 1657206367 UVSJXVSIWSISIQ-UHFFFAOYSA-N 290.193 4.611 30 10 CJEE C=CCC(C)(C)CNC/C=C\c1c(C)cc(C)cc1C 1658026292 WYZVMSHOTOPKBT-HJWRWDBZSA-N 271.448 4.817 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(C2CCC2)cn1 1658225753 HTVLSPILWKPJRP-MRXNPFEDSA-N 258.409 4.896 30 10 CJEE CCC[C@@H](CCc1ccccc1)Nc1ccc(CC#N)cc1 1658783083 ANLVZVSQXCEJBR-IBGZPJMESA-N 292.426 4.966 30 10 CJEE C=CCN(Cc1ccc(OCC2CC2)cc1)c1ccccc1 1658906113 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292.448 4.647 30 10 CJEE CCC1(CC)CCC(N=C2N[C@H]3CCC[C@@H]3CS2)CC1 2171539040 WYRKXQGOTZPREN-HIFRSBDPSA-N 294.508 4.597 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2173787006 ZEJTYSCRYHLEQK-NNPSNHGLSA-N 273.464 4.632 30 10 CJEE CC(C)[C@H]1CCC[C@@H]1CN(C)c1ccc(Cl)cc1C#N 2176481619 FKRZTPRSYLIPQW-CZUORRHYSA-N 290.838 4.720 30 10 CJEE CCCCCCCCCOc1ccc(C(N)=S)cc1C 2176606369 QDHZPUNUFWAVML-UHFFFAOYSA-N 293.476 4.759 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CCc2ccccc2C1 2178381756 XWUVLNMNCIRBME-GPMSIDNRSA-N 270.416 4.577 30 10 CJEE C=C1CC(C[C@@H](O)c2ccccc2-c2ccccc2)C1 2182124251 ZQXQHECHBJKBFD-LJQANCHMSA-N 264.368 4.743 30 10 CJEE C=C1CC(C[C@@H](N)c2ccc(-c3ccccc3F)s2)C1 2182166395 JAEFKEWVBLNOSX-OAHLLOKOSA-N 287.403 4.910 30 10 CJEE CCC1(CC)CCN(c2cc(Cl)c(F)cc2C#N)CC1 2184417051 SEUBYWZOJVRDDP-UHFFFAOYSA-N 294.801 4.757 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C(F)(F)C1CCCC1 2185240490 LCSQVBXTQKOKMU-HNNXBMFYSA-N 285.422 4.620 30 10 CJEE 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CCCCCCCCOC[C@@H](O)c1ccccc1CC 2201171561 YCAIFRIUOPCMBU-GOSISDBHSA-N 278.436 4.660 30 10 CJEE CCCCCCCCCCCCOC[C@H]1[C@H]2CN[C@H]1C2 2203133889 ZBQKHPONSYWOJR-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE CCCCCCCc1cc([C@@H](N)C2CCCCC2)on1 2203847362 XYNRKKKOFXQBLK-KRWDZBQOSA-N 278.440 4.768 30 10 CJEE CCCC[C@](C#N)(CC)c1nnc(C2CCCCC2)s1 2205071214 KEPVMNLALVUEFU-INIZCTEOSA-N 291.464 4.947 30 10 CJEE C=CCCCCCC[C@H](O)c1ccccc1OCC=C 2206901295 AZRWJEABGUIQQI-KRWDZBQOSA-N 274.404 4.811 30 10 CJEE C=CCCCCCC[C@]1(N)c2ccccc2CC1(C)C 2206901302 BABBXDOEYKQWDP-IBGZPJMESA-N 271.448 4.950 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@](C)(O)CCCC 2206901407 BPUUBDRCANPDQG-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCC[C@H](C)CCC(=O)[C@@H](C#N)c1cccc(C)c1 2207000770 XSIULORKEVAREK-YOEHRIQHSA-N 271.404 4.778 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C)OCC[C@H]1C 2207377313 MWIRPFRYGBFXAT-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCO[C@@H]1[C@@H](C)CNC[C@H]1C 2207392385 QBISXQKYVCVUNW-PIIMJCKOSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1csc2cncn12 2207401724 DRDPTXKOKZWAJB-OAHLLOKOSA-N 292.448 4.736 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H](C)CCOC 2207402442 JYLXIKZVGWMCCC-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](CC)CCOC 2207437362 PZTXIUYSEZYOOR-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](OC)C(C)(C)C 2207442057 NMWYPWYUJVQWBX-SJORKVTESA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1COC 2207442263 PNQUCSZBBWDOIK-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1ccncc1Cl 2207443154 XQFHHTZTMCQTPZ-MRXNPFEDSA-N 295.858 4.546 30 10 CJEE CC[C@](C)(C#N)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2218378685 UYLUCVHYUAJWEW-GSPSYOTPSA-N 255.352 4.778 30 10 CJEE C=CCCCCCCC[C@H](NCC)C(F)(F)CC 2220090160 BEIMTMJCWOZFAA-AWEZNQCLSA-N 261.400 4.927 30 10 CJEE C=CCCCCCCNCc1sc(C)c(C)c1C 2221233503 CITFGZDVMXDNRN-UHFFFAOYSA-N 265.466 4.899 30 10 CJEE Cc1cc(C2(C#N)CCCCCCC2)ncc1Cl 2223905254 BZUAEOMZLOWDIQ-UHFFFAOYSA-N 262.784 4.549 30 10 CJEE 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290.538 4.661 30 10 CJEE C=CCCCCCCCSc1cc(C)nc(F)n1 2258982008 VAHSKCGSXZVZQJ-UHFFFAOYSA-N 268.401 4.543 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@@H]1C(C)(C)C 2259231252 GYHCJPUGTKAAHB-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1CCN(CC[C@H](C)CCCC(C)C)C1 2259607008 KWQZVONXCOFFKL-IAGOWNOFSA-N 251.458 4.737 30 10 CJEE Cc1ccc(Nc2c(F)cc(Cl)cc2F)c(C#N)c1 2266840750 GQVMFMUPRLQIMU-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(C)cc(O)cc1C 2267786786 MIPYBPNMBJPUGM-MRXNPFEDSA-N 261.409 4.535 30 10 CJEE Cc1nc(CC=CC#CC(C)(C)C)sc1C(C)(C)C 2268756440 FFHMOWSEZAKKBW-UHFFFAOYSA-N 275.461 4.897 30 10 CJEE C=CCCCCCCCSc1cc([C@@H](C)N)ccn1 2271503786 VWIJBKYXWMUBQW-CQSZACIVSA-N 278.465 4.720 30 10 CJEE CO[C@@H](CSc1cccc(Cl)c1C#N)CC(C)(C)C 2271711419 AUEQHWGTZMQRNO-LLVKDONJSA-N 297.851 4.755 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2271796221 DLUDBVFCUQJOLK-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(C(F)(F)F)c1 2271834726 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C=C=CCC[C@@H](CCCCCCCCC)OCC(=O)O 2291338722 GDQXICACXSPCSW-INIZCTEOSA-N 282.424 4.718 30 10 CJEE C=C(CC)CC(CC(C)C)(CC(C)C)OCCC(=O)O 2292135162 LTISNJROYKRMTH-UHFFFAOYSA-N 284.440 4.665 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC[C@@H]1C)OCCN 2292656202 SECINUJJEBDNQF-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCC[C@@H](CCC)CC1 2292882821 RDDNCRZUIAJZNU-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1ncc(C)s1 2293029326 MTSOGVABDMFGON-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)[C@@H]1CCC1(C)C 2294053995 PMWVFDNCFWBZBU-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@@H](F)C1)OCCN 2294252950 WWZIXIACHKPBLS-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H]2CC[C@H](CC)CC2)c1 2295204312 CYLFRLZUDRFCLY-JCNLHEQBSA-N 265.400 4.839 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)C1 2295228610 GQIHFZFMZPHHFM-MAUKXSAKSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(O[C@@H](C)C(F)F)C(=O)O 2295587884 DQGUXVIZDAFKQB-WFASDCNBSA-N 294.382 4.641 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NC)C1=CCCC1 2295688255 CSURRXSFXYJFCL-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCCCCCS[C@@H]1CC[C@@H](C)[C@@](C#N)(NC(C)C)C1 2295761968 SESVFJIGWLYNNM-BRWVUGGUSA-N 296.524 4.749 30 10 CJEE C=C[C@@](N)(c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2298975618 IQTVAEXVVMTWLA-CYBMUJFWSA-N 276.182 4.519 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)s1 2300146178 DTOWEPLUOFPWIS-SDDRHHMPSA-N 269.841 4.797 30 10 CJEE C=CCC[C@H](C)NCc1ccc(Cl)c(Cl)c1C 2301019901 RLHHAFZGUBDHFO-JTQLQIEISA-N 272.219 4.746 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(F)cccc1Cl 2304121047 YHUTVSLQZGTPSO-ZIAGYGMSSA-N 256.748 4.505 30 10 CJEE C=CC[C@@H](C)[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2307671577 RTMHPVCYGDNHFG-YMTOWFKASA-N 273.203 4.722 30 10 CJEE CCCCCCCCC(=O)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2309473966 JFWXAIYVLPTSKR-YUTCNCBUSA-N 258.352 4.597 30 10 CJEE CCCCCCCCCC[C@H]1CCN[C@@H]2CC[C@H]12 2309988152 ACROERYATOWAPR-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC(C)(C)[C@@H]1NCCC 2313531903 OZMNHKVPUFNWIM-SOUVJXGZSA-N 269.498 4.631 30 10 CJEE C=CCC(CC=C)c1ncc(C(F)(F)F)cc1Cl 2316719218 BWRVVAKZAJQBLB-UHFFFAOYSA-N 275.701 4.990 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 2316738317 GYZXRYRKJMVDQS-UKPHBRMFSA-N 250.426 4.578 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H](C)[C@@H](C)C(C)C 2321100505 CAXGPORMVPWXIH-HZMVEIRTSA-N 253.474 4.885 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1CC(C)(C)[C@H]1C 2321103301 YMODRWLGJWTSHM-HWMZRRJGSA-N 251.458 4.639 30 10 CJEE O=CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCCC1 2329776122 LZEDABNJTLDMJG-MJBXVCDLSA-N 270.363 4.597 30 10 CJEE C=CCC(CC=C)Oc1ccsc1CN[C@@H](C)CC 2335110190 YXDMJHSGKRHILU-ZDUSSCGKSA-N 279.449 4.536 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@](C)(CC)C(F)F 2336606116 UAXKODDKXRXZRD-ZBFHGGJFSA-N 273.411 4.620 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338683185 ZAJDFRLSTZZGLM-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCCCC12CC2 2338724957 MGKPTAURZURBCN-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2338742245 UPBSURJNNCIMMA-HYVNUMGLSA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCC12CCC2 2338743654 HQDSDMYNJVPFGA-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE CCCCCCC[C@@](C)(O)c1csc(C(C)(C)F)n1 2341984811 NBPYRAUKYUAXJB-OAHLLOKOSA-N 287.444 4.916 30 10 CJEE CO[C@@H](C#CCCCC1=CCCCC1)C1CCCC1 2343585045 SGHIQTVAWWRTHR-SFHVURJKSA-N 260.421 4.866 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cccc(C(C)C)c1 2343603761 NWXAWJGUPOEBOV-SFHVURJKSA-N 257.421 4.839 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(C)cc1Cl)NCCC 2344345310 MOXAARVYKYBRPP-WMLDXEAASA-N 279.855 4.771 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H](C)C(F)(F)F)NCCC 2344358225 UKPTZDZMEVQHKT-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(CC)cc1 2344376432 GIYNOIMRSNNWQU-ROUUACIJSA-N 259.437 4.892 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)CC(F)(F)F)NCCC 2344380051 ZAYMCUDKSLQNPP-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc2cc(F)ccc2o1 2344396342 NFCMJPHIESFRMS-MRXNPFEDSA-N 260.308 4.747 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2cc(F)cc(F)c2)C1 2352117544 URJRUGJREFACMP-UHFFFAOYSA-N 263.331 4.572 30 10 CJEE CC1(C)CCC[C@@](C=O)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2354793726 CEKFKEMFXYDMSZ-KNCOVGOOSA-N 284.390 4.843 30 10 CJEE CCCCC#CC[C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCCC 2358138202 KERZYTBGQDHXSU-NCXUSEDFSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCC[C@@H]1C[C@@H]1C 2358948112 OTSALAHAVKPERN-LZLYRXPVSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)N[C@@H](CCC)c1ccc(OC)cc1 2360325514 YQZQEJBHHAEXLH-SFHVURJKSA-N 273.420 4.647 30 10 CJEE C=CCC(CC=C)S[C@H]1CCc2ccccc2[C@@H]1NC 2360335391 AMGDPOYTFOOMSD-ROUUACIJSA-N 287.472 4.516 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccc(CCC)cc1 2360338447 VCCSGSALUYIXSP-GOSISDBHSA-N 289.488 4.893 30 10 CJEE FC(F)(F)c1ccccc1/C=N/Nc1ccccc1Cl 6473571 IYXAEKCMBNNSJG-DJKKODMXSA-N 298.695 4.805 30 10 CJEE CCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37156127 LPXISHODBVGQRW-BZUAXINKSA-N 259.418 4.606 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(OC)cc1 59089796 GGUYICXVAZCQBD-OAHLLOKOSA-N 263.425 4.534 30 10 CJEE C[C@H]1CCC[C@@H](Nc2cccc(OCCCC#N)c2)[C@@H]1C 68625326 YQNXHFPJPAJLET-HDMKZQKVSA-N 286.419 4.606 30 10 CJEE COc1c(C)cc(C)cc1-c1cc(C#N)c(C(C)C)o1 77079862 FVAIWNRORKJYTB-UHFFFAOYSA-N 269.344 4.567 30 10 CJEE CCCCCCCCCCCOC(=O)CCCCCN 82019538 XELDODKBAUITKX-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE Cc1cc2nc(C(C)(C)C)cc(CS)c2cc1C 82466519 XXSBRCOSVWYTQJ-UHFFFAOYSA-N 259.418 4.579 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(Br)s2)C1 83791702 JCNTVJDCFPMLKA-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86901748 WLQZZWHTTHNMHH-GOEBONIOSA-N 256.393 4.523 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 91880782 CCBHJELYCHYJMH-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE Cc1ccc(OCC2(CS)CCCCC2)c(C)c1 94582568 WZSUDQMWXWOYCN-UHFFFAOYSA-N 264.434 4.563 30 10 CJEE CCCCCCCn1c(C2CC2)nc2ccccc21 101262885 VFPNHBZDYSKJLY-UHFFFAOYSA-N 256.393 4.884 30 10 CJEE CCCCCCCOc1ccc([C@H](C)N)cc1Cl 104169663 QMLGMXQNAYPJKK-LBPRGKRZSA-N 269.816 4.709 30 10 CJEE CCCCCCCCCN1C[C@@H](C)Oc2cccc(N)c21 105519092 CWTRPXZZBTZKKK-OAHLLOKOSA-N 290.451 4.607 30 10 CJEE C[C@H](CCS)c1ccc(Oc2ccccc2)cc1 107633623 MWQJNBXAUKTCIA-CYBMUJFWSA-N 258.386 4.902 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(OC)cc1)NCCC 109728763 ACQOOXVFYXQFII-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCCO[C@@H]([C@H](N)CC)C(C)(C)C 109989021 DNVWMCCXMHJDMV-CABCVRRESA-N 257.462 4.516 30 10 CJEE Cc1cccc(N[C@@]2(C#N)C[C@@H](C)CC[C@@H]2C(C)C)c1 110028720 ROEQRPHKFFVJQE-CGTJXYLNSA-N 270.420 4.762 30 10 CJEE CCCCCCCCCCNCCCCN(C)C(C)C 110167893 SXAOXNDXTPOIGJ-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCCN(CCC#N)C(C)C 110246938 HPADUWLYGMSSPJ-UHFFFAOYSA-N 252.446 4.751 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2cc(C(C)C)ccc2C)n1 110262805 JBADEEILEQKZCI-UHFFFAOYSA-N 280.371 4.794 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(C)CC2)C1 110263939 XIFIGZXVHHULCA-HBWZYELFSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1ccc(OC)cc1 113022710 ZTKSRYOSITVMLM-SFHVURJKSA-N 291.479 4.824 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCc2ccccc2C1 115848151 MWEJDTKZYMLYCJ-RTBURBONSA-N 273.464 4.740 30 10 CJEE CCCCCCC[C@@H](O)C1(CN)CCC(CCC)CC1 118287702 AUXOOPURTRFAHK-LXPRWKDFSA-N 283.500 4.643 30 10 CJEE N#Cc1cc(Cl)nc(Oc2ccc(Cl)c(Cl)c2)c1 122570525 PCLOUNNTKAZILJ-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)[C@H]1CCCNC1 126205335 YHCSKYBJCHPGCW-INIZCTEOSA-N 281.484 4.722 30 10 CJEE CCc1ccc([C@@H](CC)Nc2ccc(F)cc2C#N)cc1 126236125 NTMGDXYZABWZIK-QGZVFWFLSA-N 282.362 4.823 30 10 CJEE C#CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 129867375 TWJVCMXTZNRSHN-IUCAKERBSA-N 290.621 4.709 30 10 CJEE CCCCCCCCC[C@H](CCOCCC)NC 139415745 CEIZOQOOKHJBBY-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C)nn1CC 140435367 RCEZONLMVXRPJI-MRXNPFEDSA-N 279.472 4.613 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cncs1 147595417 HQUDIGGMTXASPH-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=CCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 156006423 GGQBSRFRYOIKEF-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CCCCCCCCOCc1ccc(C(=N)N)cc1Cl 163394408 VPYAONNSAHDTIE-UHFFFAOYSA-N 296.842 4.501 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cccc(Cl)c2Cl)C1 228941117 YQPVHZQOAIOIKR-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE C=CCC[C@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1 230671724 HUQQXEAYPGFACX-ZDUSSCGKSA-N 290.407 4.800 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC(C)(C)CC1 232964517 DITWYDMPVQISOA-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](N)c1sc(C)nc1C 232991070 VPMDDVGZZXLIRO-AWEZNQCLSA-N 268.470 4.900 30 10 CJEE CCCOc1ccc(OCCCCC(C)(C)C#N)cc1 233244321 KIMNIVVHBIRLGM-UHFFFAOYSA-N 275.392 4.574 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@H]1C1CC1 250837100 VPQUJEBOMDYZPX-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1CC 250842533 YMAIPXWIZHMETF-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252373342 QNUJEJJQJXZDCU-YESZJQIVSA-N 273.445 4.996 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1occc1C 311865594 VWYQGXPFOSBSTA-UHFFFAOYSA-N 283.481 4.536 30 10 CJEE N#CCc1cccc(N[C@@H]2CCc3cc(Cl)ccc32)c1 313428992 PDEOQKJDVLDKIY-QGZVFWFLSA-N 282.774 4.505 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H](C)C2CCCCC2)C1 317668371 FJIZOCVMSRYYHF-ZMSDIMECSA-N 250.426 4.988 30 10 CJEE CCCNC[C@]1(CC#CC(C)(C)C)CCCC[C@@H]1C 319363285 XSPNBOCMQUSPQC-FUHWJXTLSA-N 263.469 4.622 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(OC)ns1 319667523 FHEQWWOCGDMGLT-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCSc1cccc(N[C@H](C(C)C)C2CCC2)c1C#N 324705993 AUXOJKLAMSCMAO-QGZVFWFLSA-N 288.460 4.907 30 10 CJEE CC[C@H](C)[C@@H](COCCCCCCCCCS)OC 384674477 DPJAONAMGPPQBB-JKSUJKDBSA-N 290.513 4.725 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@H]1CCCc2ccccc21 384868200 OHLBNHDKDKSGJQ-KYJSFNMBSA-N 253.389 4.827 30 10 CJEE CCN[C@@H](C)c1ccc(SCCCCCC#N)cc1 385294497 IYIHGCUDLIBVOF-AWEZNQCLSA-N 276.449 4.533 30 10 CJEE C[C@]1(c2ccc(Cl)c(Cl)c2)CCC[C@@H](CC#N)O1 386154651 PMKHOIDKDQGTFG-SMDDNHRTSA-N 284.186 4.691 30 10 CJEE C=C(COCCC)[C@H](C[C@@H](C)CC(C)(C)C)NCCC 387525059 LCLCTKJJOZBVIK-WBVHZDCISA-N 283.500 4.800 30 10 CJEE CCCCCCCCC[C@H](O)CC1(COC)CCC1 388686427 FOBHCMPBENREMO-INIZCTEOSA-N 270.457 4.695 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2c(OCCC)cccc21 393802342 UPHMRKUWIHBSQA-LBPRGKRZSA-N 290.432 4.641 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(C)C[C@@H]1F 399743973 MNQOYKBUBNKYIA-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE CCCCCCCCCCCCN1C[C@H](O)[C@H](CC)C1 400284496 KRXMXBQCYJUTIR-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CC(C)(C)C1CC1 405792755 TUBWEJAILQSYIC-INIZCTEOSA-N 263.469 4.621 30 10 CJEE CC(C)C[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 442850754 DVXFUGJQNSPSSA-FAFZWHIHSA-N 284.447 4.693 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)c(F)c1 511895002 JNUWLUKEFQAIQJ-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=C(C)C[C@H](C)c1nc([C@@H](C)c2ccc(C)cc2)no1 571444956 PGNPIEPNRSAEPX-KBPBESRZSA-N 270.376 4.600 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(COC(C)(C)C)cc1 681000999 LOSPCHJDRKLLJA-AWEZNQCLSA-N 289.419 4.543 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(Cl)c1F 686694516 ZXXRTSHNUZBDOE-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CC[C@H](CC)C1 686695199 VFLIAQGDYURBNP-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)C)CC[C@H](CC)C1 686701231 OJXNMGRYKODPHT-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]12CCCC[C@@H]1C2 693269343 ZFRKZBYWQFRGPS-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE C[C@@H]1CCC[C@H](N(C)[C@@H](CC#N)c2ccccc2)CC1 697854706 HCYPUBKXFBXGBG-NJAFHUGGSA-N 270.420 4.542 30 10 CJEE CC(C)CCCCOc1cc(Br)cc(C#N)c1 703569946 SSTCHPAUUZOGLJ-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CC(C)CCCCOc1cc(Br)ccc1C#N 703571234 YIKWMIHUKCNNJB-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CCCCCCCNc1cc(OCCC)c(F)cc1N 703712622 JQGBEUFKZFVKSG-UHFFFAOYSA-N 282.403 4.579 30 10 CJEE CCCCCCCN[C@@H](CC)c1ccc(F)cc1 705953214 JFJOEEJDTRAHOA-INIZCTEOSA-N 251.389 4.837 30 10 CJEE Cc1nc(N[C@H]2C[C@H](C)CC(C)(C)C2)c(Cl)cc1C#N 708333543 ZCOSURZMJCRNKC-GWCFXTLKSA-N 291.826 4.542 30 10 CJEE 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251.458 4.926 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccccc1OCCF 1205931882 IRAATLBKVFBSHG-CQSZACIVSA-N 265.372 4.582 30 10 CJEE C=CCCCC[C@H](C)NC[C@H]1C[C@@H]1Cc1ccccc1 1207806862 YYSVOYWIRGFHIH-YTQUADARSA-N 271.448 4.590 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1ccc(Cl)cc1)C1CC1 1258719945 MWMYGIRYUYWGKU-BLLLJJGKSA-N 263.812 4.735 30 10 CJEE C=CC1(CC(=O)NC[C@@H](CC)CCCC)CCCCC1 1264070447 XOZBPUBTOKNUSW-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCC1(NC(=O)CC2CC(c3ccccc3)C2)CCCC1 1279400701 YFPLLIGHFWXEDZ-UHFFFAOYSA-N 297.442 4.575 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(CC(C)C)cc1 1288551591 GTMHJFZIPLCVLB-UHFFFAOYSA-N 287.447 4.607 30 10 CJEE C#CCCCCCCN1CCCSc2ccccc21 1307873129 CUWMJMSMXFJKDB-UHFFFAOYSA-N 273.445 4.573 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 1307915573 WCFASZUYUJUWGL-KBPBESRZSA-N 295.373 4.637 30 10 CJEE C#Cc1ccc(NC2CCC(=C3CCC3)CC2)cc1 1308974514 QGJGRNHAUAEZMD-UHFFFAOYSA-N 251.373 4.503 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(-c2ccccc2)cc1C 1355863231 IXKNASWURDEIIW-UHFFFAOYSA-N 279.383 4.957 30 10 CJEE C=CC1CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 1458187498 PANXSOVCYAQGGA-UHFFFAOYSA-N 297.185 4.537 30 10 CJEE C=C[C@@H](OC(=O)CCCC(C)(C)C)c1ccccc1 1461546733 CWTBPFHCKQAYGK-OAHLLOKOSA-N 260.377 4.673 30 10 CJEE C=C/C=C/CCNC(=O)N[C@H](CCCC=C)c1ccccc1 1471202936 DZVCJQFYRGOVKV-SUQGKYDKSA-N 298.430 4.516 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1CC(C)(C)C1)c1ccccc1 1516747323 WMLNKQNRLAHXLU-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=C[C@H](OC(=O)c1ccc(C(F)F)cc1)c1ccccc1 1528623960 QJHLWVXFARDJEM-HNNXBMFYSA-N 288.293 4.708 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCCCC)C(C)C 1529652690 ZFGQMYDVMTWFAN-IXDOHACOSA-N 277.452 4.549 30 10 CJEE C=CC[C@@H]1N(C(=O)C2C[C@@H](C)C[C@H](C)C2)CCCC1(C)C 1530840135 QNBYSATWOAZNRM-ZOBUZTSGSA-N 291.479 4.652 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCCC2(C)C)CCCCC1 1544109984 VLMVZNOHLXTMSR-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H](CC)CC(C)C)c1ccccc1 1583038897 YFQBCKSQYFTMJF-WMZOPIPTSA-N 287.447 4.882 30 10 CJEE 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4.782 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](O)[C@@H](C)CCC 2235524507 QTECIBQRZIGOKN-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@@H](N)COc1ccccc1Cl 2235525892 FQLPRGHJKMYZHT-OAHLLOKOSA-N 295.854 4.963 30 10 CJEE CN[C@@]1(C#N)CCC[C@H](SCCCCCCC2CC2)C1 2239359988 SBMFFNRLSLVERD-IRXDYDNUSA-N 294.508 4.504 30 10 CJEE CCCCCCCCCCOc1ncccc1[C@@H](C)N 2239508584 WNZSPGPQNZAGMA-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE N#CC1(C[S@](=O)CCCCCCCC2CC2)CCCC1 2239552198 KPNQPAFYPJJQKF-HXUWFJFHSA-N 295.492 4.570 30 10 CJEE C=CCCCCCC[C@@](C)(O)c1c(F)cc(F)cc1F 2239612959 FZYZVMUQYDGCPV-MRXNPFEDSA-N 286.337 4.838 30 10 CJEE CCc1ccc(C#C[C@H](O)c2cc3sccc3s2)cc1 2239622187 JWALQODBTZXBBI-AWEZNQCLSA-N 298.432 4.610 30 10 CJEE CCCN[C@@H](C#Cc1ccc(C)cc1)CC(C)(C)CC 2239632949 OXLVSQLHAKZOJR-SFHVURJKSA-N 271.448 4.541 30 10 CJEE CCCc1ccc(C#CC(=O)C2CCCCCC2)cc1 2239726402 PLYBWZAWNJTYEL-UHFFFAOYSA-N 268.400 4.530 30 10 CJEE CCCCCCCC[C@@](C)(O[C@H](C)C1CCC1)C(=O)O 2240614857 VOYWIJWDCBDPQU-RHSMWYFYSA-N 284.440 4.786 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CCC[C@@H]1C[C@@H]1C 2240640304 OTSALAHAVKPERN-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC[C@H]1C[C@@H]1CC 2240644393 IVARMBCOXMZNNC-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H](C)c1ccc(C)cc1 2240818725 QGHPRZNKJSCWCI-PKOBYXMFSA-N 271.448 4.660 30 10 CJEE C=CCCCS[C@H](c1ccc(C)s1)[C@H](N)CC 2250027498 GZNPITGWNPPKBY-OCCSQVGLSA-N 269.479 4.534 30 10 CJEE C=C[C@H](CCCCC)Oc1sc(C=O)c(C)c1C 2254693938 WASJNIYCUHKDEJ-CYBMUJFWSA-N 266.406 4.691 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccc(Cl)cc1F 2259189878 HDOAYEDPPIXNMI-HNNXBMFYSA-N 270.775 4.823 30 10 CJEE C=C(C)CCCC[C@@H]1CCCC(C)(C)[C@H]1NCC 2259236923 IJVLBVADAVFQFC-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCC(=O)c1c(F)cc(C)cc1F 2259239621 QLIXZRDQEJSFCO-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE CC1=CC[C@@H](CCC23CC4CC(CC(C4)C2)C3)C1=O 2265028300 WZSINOLCIDRCSO-KUNBBXKYSA-N 258.405 4.518 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC23CCC3)c(F)c1 2266777443 BYHFUCYJLCPASY-KRWDZBQOSA-N 257.352 4.541 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(OC)ccc1Cl 2268109509 JIXQQFHAZQFTRY-INIZCTEOSA-N 281.827 4.746 30 10 CJEE C=CCCCOc1c(CN[C@@H](C)CC)sc(C)c1C 2269401838 FLNYDCWSZLHOGM-LBPRGKRZSA-N 281.465 4.598 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](OC)C(C)(C)C 2271780468 GEDCDLLXFQLJGM-CVEARBPZSA-N 269.473 4.552 30 10 CJEE C=C(C)CCCC[C@H](NN)c1ccc2sccc2c1 2271833405 PBFPQGAMHOJZCO-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE C=C(C)CCCCSc1ccc(C(OC)OC)cc1 2271833776 UVUYWXAIGOVORL-UHFFFAOYSA-N 280.433 4.817 30 10 CJEE CC1CC2(C1)CC(C[C@@]1(C=O)CCCCC13CC3)C2 2272165994 JWYKOQBDMGJYHN-XKVNHCMESA-N 260.421 4.742 30 10 CJEE CC[C@@](N)(C#CC1CCCC1)C1CCC(C)(C)CC1 2273992569 NNTKKVAGIDAGRR-GOSISDBHSA-N 261.453 4.504 30 10 CJEE CCCCCCCC[C@H](CCC(C)C)OCC(=O)O 2275453813 QCIRJODKFOARLT-OAHLLOKOSA-N 272.429 4.643 30 10 CJEE C=CCCCCC[C@@H](OCCCN)[C@H](C)C(C)(C)C 2276210734 ACBPLHHWLXKQAD-JKSUJKDBSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1(CC)CC1 2277362462 TZYGHWPYVYYDTM-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE Cc1c(C)c(C)c(CC2(C#N)CCCC2)c(C)c1C 2277468928 LIHZMQVWJGTVOG-UHFFFAOYSA-N 255.405 4.855 30 10 CJEE CC(C)CCC[C@@H](C)CCNCc1ccsc1C#N 2277477318 AQLNHAIFPXTNLE-CQSZACIVSA-N 278.465 4.562 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1cn[nH]c1 2278246468 QCHDOKCWCHEJPO-LSDHHAIUSA-N 265.445 4.590 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CCCCC12CC2)NN 2279618069 CIWWOZHNXKRFFD-DLBZAZTESA-N 278.484 4.705 30 10 CJEE C=CC[C@@](C)(NCC[C@@H]1CCCCC12CC2)C(F)(F)F 2279725311 GHCXUCKXYANLAP-UONOGXRCSA-N 289.385 4.834 30 10 CJEE N#CC1(c2ccc3ccccc3c2)CC(CC2CC2)C1 2279754574 LFNGDTNNTYNEJR-UHFFFAOYSA-N 261.368 4.811 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCCCCC1(F)F 2284074032 XFBYTVYKTICVCY-CQSZACIVSA-N 282.374 4.767 30 10 CJEE CC(C)(C)C#CC=CCCc1ccccc1OC(F)F 2284090770 QWFAXKFEQKEIPT-UHFFFAOYSA-N 278.342 4.826 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cscc1C(F)F 2284166515 ZKZBBFQXLDDFPK-AWEZNQCLSA-N 297.414 4.942 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C[C@H](C)C(F)F 2284179261 XVWBILBPFZVFFO-GJZGRUSLSA-N 285.422 4.642 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@](C)(N)CC(C)C 2285448565 MCMWFQQWGIJRNZ-ZWKOTPCHSA-N 283.500 4.808 30 10 CJEE C=C(C)CCCCn1ccc(CNCC(C)C)c1CC 2287467626 OYFWBSKYSUBWSI-UHFFFAOYSA-N 276.468 4.543 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@H](O)c1cccc(C#N)c1 2287933153 QKTFLFIAAOXZDM-MAUKXSAKSA-N 273.420 4.834 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1CCCC[C@H]1CC 2289614620 AMJLQJCBHDRVPA-GUDVDZBRSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1ccc2sccc2c1 2289695792 LRNXOUKINHGESW-KRWDZBQOSA-N 283.440 4.746 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc2c(s1)CCCCC2 2289711464 IKMCOWRBKRVLBD-INIZCTEOSA-N 288.456 4.634 30 10 CJEE CCCCCCCCC[C@]1(OCC(=O)O)CCC[C@@H]1C 2290567887 XWMLZJWDEUBQLC-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@](C)(CC(C)(C)C)OCCC(=O)O 2292730072 YNNXWZVAIUJBNQ-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1CC1(F)F)OCCN 2293180967 KRYDUFJWBVBBIQ-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1CC=CCC1 2293412268 AIGIMAUXNQEKME-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@]1(OCCCN)C=CCCC1 2293458290 GKXFRKCYAILYDZ-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@H]1CC12CCC2 2293653975 DEXVTRONDIBCMB-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1CCC[C@H]1F 2293909567 KWEOYHCBUZSZLI-BBWFWOEESA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1ccc(C)o1 2294351395 MARPEQFOESDWSV-QGZVFWFLSA-N 281.440 4.529 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H]2CCCC3(CC3)C2)c1 2295162545 RQHRBQWFGZRMBS-INIZCTEOSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1csnc1C 2295604172 UKNUBXAQZRMQOO-INIZCTEOSA-N 297.464 4.526 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Br)cc1C 2304038411 NLSVAOFXGDBLLX-CQSZACIVSA-N 296.252 4.620 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C(F)F)cs1 2304124209 BPJFHHZMZRXOSR-DGCLKSJQSA-N 260.349 4.712 30 10 CJEE CC1(COC[C@@](C)(CS)C(C)(C)C)CCCC1 2307104711 XHRCHKODSMEDCK-HNNXBMFYSA-N 258.471 4.566 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312874653 KQIIJMFJTDNMEU-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCO[C@@H](C)CCCCNC 2318022661 DLWDCWWQMVHVOI-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=CCCCSc1ccc([C@H](C)NC)c(C)c1C 2318391531 DINLYZVAPDKCAN-AWEZNQCLSA-N 263.450 4.642 30 10 CJEE CC(C)c1cccc(COCCCCCCS)c1 2320655809 TZFFKSARJDGRJM-UHFFFAOYSA-N 266.450 4.817 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)[C@@H](C)CC1CCC1 2321101433 JNMDZIBRCGEIQI-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CCC[C@H](CC)C1 2321108624 RHQOMHIFAKDTGH-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1CCCCC1(F)F 2321176629 FZGGMVCLJAMFKF-GXTWGEPZSA-N 258.352 4.764 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2321234054 QNCFDXZFBWKQJE-QKPAOTATSA-N 250.426 4.556 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCCOC(C)(C)C)C1 2321962407 BTDKNHJUQJBUQW-GDBMZVCRSA-N 251.414 4.692 30 10 CJEE CCCCCCCC[C@@](C)(SCCSC)C(=O)O 2326935538 YHUCIKIMZQSAHK-CQSZACIVSA-N 292.510 4.677 30 10 CJEE N#C[C@]1([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2329750107 XHJVHINCDUEKBW-XFMPKHEZSA-N 265.347 4.532 30 10 CJEE C=CCCC[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329821626 KYRLZSATKKIUFR-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C[C@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332781292 AHEPIZUSBHQXQV-DKIMLUQUSA-N 256.389 4.576 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCC(F)(F)[C@@H]1N 2335096799 QRFAFNMVYVUASA-UONOGXRCSA-N 289.435 4.536 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)C1CC(C)(C)C1 2335200219 JTILBAZIUSNQPD-INIZCTEOSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(F)cc1[C@@H](C)N 2335233229 WWAFIQAIGYGZCC-GFCCVEGCSA-N 279.424 4.767 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1CCC[C@@H](CC(C)C)C1 2337079265 OBVHZKFCUFLXRY-XLAORIBOSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccccc1C(C)C 2338742515 WODAQNMQQXTWNX-GOSISDBHSA-N 257.421 4.839 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCC 2338743044 BJCWYDIXDUZZCC-BDXSIMOUSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC12CCC2 2338743655 HQDSDMYNJVPFGA-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(F)c(Cl)c1 2338744903 RTTFXMHMXHXSNM-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE C[C@H]1CC[C@@](C=O)(CC(C)(C)Cc2ccccc2)C1 2339405290 WIYHBTLXRXWQKH-YJBOKZPZSA-N 258.405 4.651 30 10 CJEE CC1(C)CC[C@@H](C[C@@]2(C#N)CCc3ccccc32)C1 2341734873 GQLZUKQYBFMTJV-RDTXWAMCSA-N 253.389 4.611 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341924112 SDTHQQBSCZMNPJ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(F)c(Cl)c1)NC 2344347733 DSDIAVMEFFZGGR-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cccc(F)c1 2344376738 HDDUGXIKVGWFFK-IAGOWNOFSA-N 263.400 4.859 30 10 CJEE C#Cc1ccc(NCc2cc(F)c(Cl)cc2Cl)cc1 2349796805 CCFZVKGFAOALTA-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1cc(F)c(Cl)cc1Cl 2349823349 BCKQGZXWAJTBMW-OAHLLOKOSA-N 296.172 4.846 30 10 CJEE CCc1ccc(N(C)C[C@@](C)(CS)C(C)(C)C)cc1 2352101048 TYKWSDYRIMKKLL-KRWDZBQOSA-N 279.493 4.667 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2355296511 BHATVMINDQDJHZ-IECFSIQFSA-N 295.536 4.623 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)NCCC 2355319009 MFPFOMQVYXSWKS-GVRJEKJASA-N 285.422 4.638 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)CC[C@@H]1C[C@H]1C 2357483240 OKRWDHWPAVIJEN-QRQLOZEOSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C1CCCCCC1 2357708960 VXNIECWHMDEZBN-RCCFBDPRSA-N 280.500 4.785 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1cccc(C#N)c1 36854785 WZQIHLUQDGNQKE-FHLIZLRMSA-N 271.404 4.536 30 10 CJEE N#Cc1cnc2ccccc2c1Sc1ccccc1Cl 36913490 HQVSGRYRUANUSI-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE C[C@H](N[C@H](CC#N)c1ccccc1)c1ccccc1Cl 55018170 MKIYMGIEAZYQQL-SUMWQHHRSA-N 284.790 4.646 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)c(OC)c1 59089792 KRNIEKAOUXITPO-CQSZACIVSA-N 279.424 4.865 30 10 CJEE C=CCc1cc(C(C)(C)CC)cc(C=O)c1OCCC 66117866 MWFJYQVHSCGOTI-UHFFFAOYSA-N 274.404 4.704 30 10 CJEE CCCC(C#N)(CCC)c1ccc(Br)cc1 71137530 DCGBSRODYBPJPA-UHFFFAOYSA-N 280.209 4.811 30 10 CJEE CC(C)n1c(CCC2CCCC2)nc2cc(C#N)ccc21 86636322 ITMYCGPDSDSSGV-UHFFFAOYSA-N 281.403 4.612 30 10 CJEE C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccc(C#N)cc1 86900389 RWWLOXYYJIUCAJ-RHSMWYFYSA-N 270.420 4.568 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(Nc2ccccc2F)CC1 86949229 TXZHJTHWXZWVRK-PBHICJAKSA-N 274.383 4.880 30 10 CJEE CC[C@@H](CS)CN(Cc1ccccc1)Cc1ccccc1 94578939 NCSCPUHACKMSOE-QGZVFWFLSA-N 299.483 4.645 30 10 CJEE CN(Cc1ccc(F)cc1)CC1(CS)CCCCCC1 94581313 GQLXLPSDPAVDEW-UHFFFAOYSA-N 295.467 4.528 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@H](CS)C(C)(C)C 94583457 URBMZIQZKCJFIF-GFCCVEGCSA-N 286.868 4.928 30 10 CJEE CCCc1ccc(OC[C@@H](CS)c2ccccc2)cc1 94585126 LMCFNHHUHVQYGK-KRWDZBQOSA-N 286.440 4.732 30 10 CJEE Cc1cc(C)c(OCC2(CS)CCCCC2)c(C)c1 94585556 DCXJEVSJCNRBTR-UHFFFAOYSA-N 278.461 4.871 30 10 CJEE CCC(CC)(CS)CSc1ccccc1OC 94589603 PKLSBJIQHVBENR-UHFFFAOYSA-N 270.463 4.524 30 10 CJEE C=C(CC)C[C@H](NCC)C12CC3CC(CC(C3)C1)C2 97208656 JBBPHIXKBMZLKH-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1Cl)C(=O)O 102949993 UHYCBRWDVAQWMA-AWEZNQCLSA-N 282.811 4.944 30 10 CJEE CCCCCCCN[C@@H](c1ccccc1)c1ccco1 104456486 ORCCXHAUEDVILX-SFHVURJKSA-N 271.404 4.929 30 10 CJEE CCC#CC[C@H](C)c1ccc(C)c(Br)c1 107497109 YCIGENSXRDQKLZ-NSHDSACASA-N 265.194 4.665 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C)CC[C@@H]1NCC 110083989 GUOFFGCPGHLOHS-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1ncc[nH]1 123804108 FJPCUQVQNZZCFA-MRXNPFEDSA-N 279.472 4.981 30 10 CJEE CCCCC1CCC(c2nc3cccc(C#N)c3[nH]2)CC1 126769337 XKISZPCMROVLNJ-UHFFFAOYSA-N 281.403 4.899 30 10 CJEE CCCCCCCCC[C@H](Cc1cc(F)ccc1C)NN 126973578 GGAVOPWZJNDLKJ-GOSISDBHSA-N 294.458 4.649 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1cncc(F)c1 131379378 ZRCXJRXOYKJYEV-KRWDZBQOSA-N 295.446 4.646 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(O)C1(C#N)CCC(C)(C)CC1 132208925 JUEAUEQEUYODGT-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE CCC(CC)CN(CC)c1cccc(SC)c1C#N 136635948 WPESNJZNJVIOJY-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CCCCCCCCCOC(=O)c1ccc(F)cc1 136644421 JJFLFNJWBHDZNJ-UHFFFAOYSA-N 266.356 4.733 30 10 CJEE N#Cc1ccc(COc2ccc3ccccc3c2)c(Cl)c1 162969609 ZTHFTMVMYUKSFB-UHFFFAOYSA-N 293.753 4.944 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2ccc(F)c(Cl)c2)CC1 164697992 LGYOSUJXRXXHKV-CQSZACIVSA-N 295.785 4.623 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1nccn1CC 166139976 GXIGBJWPFVIBOH-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1 166630088 XURFFGKFIBNZFT-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE C=CCCC[C@H](NCCC)C1(OC)CCC(C)(C)CC1 166870852 YPTRKEGXSAMLDH-INIZCTEOSA-N 281.484 4.696 30 10 CJEE CC1(C)CCN(C2CC2)c2ccc(C#C[Si](C)(C)C)cc21 196992349 COHOBIZKJTUKAL-UHFFFAOYSA-N 297.518 4.566 30 10 CJEE CCCCCCCC[C@H](NN)C1C[C@H](C)C[C@@H](C)C1 217317566 JMPZNKULRTZQFO-INMHGKMJSA-N 268.489 4.641 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1C#N 223510566 WZIYDPHDNFYXOS-MJEQTWJJSA-N 275.367 4.537 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cccc(Cl)c2F)C1 228392215 ZNKSYJUDCWHXDN-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 228421955 YYVLXODZABBZRS-SECBINFHSA-N 286.268 4.774 30 10 CJEE COC(C)(C)CCC1(C#N)CCC(C(C)C)CC1 230917411 REHIDQJGNPKOER-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE C=CCCCCC[C@H](NCCC)c1scnc1C 233124958 NTONHUXEFAIXML-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE CCc1cccc(CC)c1Nc1ccc(C)cc1C#N 234159788 IPSZFQQYFAPGQI-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CCCc2sccc21 234454281 DIZUPYAAIWJWIG-GOEBONIOSA-N 277.477 4.893 30 10 CJEE CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 249794925 FCNPLZLZMXWSDQ-MELADBBJSA-N 253.455 4.874 30 10 CJEE Fc1ccc(N=C/C=C/Nc2ccc(F)cc2F)c(F)c1 254614546 LZUKBYXBVILTLB-PGHIYXDYSA-N 294.251 4.571 30 10 CJEE CC(C)CC(F)(F)c1cccc(C2(C#N)CCC2)c1 259498589 NRVPXXYFNDDZKU-UHFFFAOYSA-N 263.331 4.770 30 10 CJEE CC[C@H](C)c1ccc(C[C@@H](C)C#N)cc1Br 260552173 OHXVFZKGKDVPCD-MNOVXSKESA-N 280.209 4.665 30 10 CJEE C#C[C@H](NC1CCCCCCCCCCC1)C(C)C 311287590 MHDBGOYGPFWAOA-SFHVURJKSA-N 263.469 4.907 30 10 CJEE CC(C)c1ccc([C@H](C#N)[C@H]2C[C@H]3CC[C@H]2C3)cc1 311332290 IEQOKFIPBXQCMI-MGHWNKPDSA-N 253.389 4.853 30 10 CJEE C=CCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 379743446 VSWKQSFMMXDWPM-SECBINFHSA-N 276.182 4.749 30 10 CJEE CCO[C@@H]1C[C@@H](C2(C#N)CCC(C)(C)CC2)C1(C)C 381236670 QWOIFSVNCZHWBE-ZIAGYGMSSA-N 263.425 4.548 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1csc(Cl)c1 382086685 KDGSPNXASJKEQC-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE CCN(CCCCCCCCCS)C(C)(C)C 382228853 GQSTUAMJNRMCJU-UHFFFAOYSA-N 259.503 4.767 30 10 CJEE CC(C)C1CCC(C#N)(CC2CC(F)(F)C2)CC1 383264690 YFKLACYMTUEGLX-UHFFFAOYSA-N 255.352 4.778 30 10 CJEE Cc1cc(Br)cc(C)c1NCCCCCC#N 385372522 LGQLIQTVEHCVHE-UHFFFAOYSA-N 295.224 4.562 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(C)c(N)cc1C(F)(F)F 398072949 NEVSXKFLGDDWJE-LLVKDONJSA-N 286.341 4.753 30 10 CJEE CCCCCCCC[C@H](NN)c1csc2c1CCCC2 399773406 MVWWWJMOUVOESK-INIZCTEOSA-N 294.508 4.882 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1c(Cl)cccc1Cl 400802801 FHHWLMCRFNZSMG-ZJUUUORDSA-N 258.192 4.609 30 10 CJEE Cc1ccc(C[C@](C)(C#N)c2ccccc2)c(Cl)c1 405686561 LWLNBGMBPYTIMW-QGZVFWFLSA-N 269.775 4.672 30 10 CJEE C=CCCc1ccccc1NC(=O)c1c(C)cccc1C 410375217 WSQXYOLAXZPWNQ-UHFFFAOYSA-N 279.383 4.674 30 10 CJEE C=CCC[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccccc1 430742450 OSGLJKOYEQDSHQ-GDBMZVCRSA-N 279.374 4.719 30 10 CJEE N#CCc1cc(Cl)ncc1-c1cccc(Cl)c1Cl 514262733 CJDLIRBICUTLDA-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCc1cc(N[C@@H](C)c2ccc(C#N)cc2F)ccc1F 586794710 BJRVRIMZWKNYMH-NSHDSACASA-N 286.325 4.572 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@H](C)O[C@@H]1C 686454083 AKZYACMYWHZCIU-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)([C@H]2C[C@H]3CC[C@H]2C3)C1 688007643 QKGUDTSKEZZWKR-KKUMJFAQSA-N 262.437 4.844 30 10 CJEE CO[C@@H]1CCCC[C@@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688337968 NRSARPXYKKPDPQ-LSDHHAIUSA-N 277.452 4.938 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(C)c(Cl)c(C)c2)c1 690235295 PTOBGPCQFRUYSF-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1ccccc1C 691072828 DIOIBBMVKBNPQG-WBVHZDCISA-N 256.393 4.660 30 10 CJEE CCCCCCCCCNCC1(SCC)CC1 691786406 DOXMSAAGEOJLLF-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccc1F 692271284 HEVIEOJORAJDJA-CKEIUWERSA-N 261.384 4.611 30 10 CJEE C[C@H](CCC#N)Sc1cc(Cl)cc(Cl)c1 695887039 OROBXNAACIWDID-MRVPVSSYSA-N 260.189 4.778 30 10 CJEE CCCCCCCC[C@@H](O)CC[C@@H](CCC)CCN 696284342 YSJNXJCQNMKNCY-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)C(CC)(CC)CC 698963947 JINZHAGVMOFZER-AWEZNQCLSA-N 294.439 4.518 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@]1(CCC)CCCN1 702906770 LZKGXLWPMZXDBN-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CCCCCCCNc1cc(C)c(N)cc1Br 703780545 QGFNKJWOMPWDBD-UHFFFAOYSA-N 299.256 4.722 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CO[C@@H](C)C1 704922741 SLBSPXZUMPTFPF-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1ccc(F)cc1 704930483 DUDWXRNYRKJILS-BYCMXARLSA-N 263.381 4.636 30 10 CJEE CCCCCCCC[C@H]1CCCN[C@@H]1C(F)(F)F 706728041 NVWHETKCHNUOKP-STQMWFEESA-N 265.363 4.668 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 714286906 NMSXRADVAHGPRF-IIAWOOMASA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)Oc1ccc([C@@H](C)NCCC)cc1Cl 714999888 FFXZJLSCEDUTFQ-QWHCGFSZSA-N 281.827 4.744 30 10 CJEE C=CC[C@@H](C)[C@H](N)c1c(Cl)cccc1C(F)(F)F 715724285 UYECXLCKMGRGIF-PELKAZGASA-N 277.717 4.571 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)c(C(F)(F)F)c1 715732595 KSRKKSSJLYUWJU-IUODEOHRSA-N 285.353 4.877 30 10 CJEE C=CC[C@H](C)[C@H](CCCc1ccccc1)NCCC 715796907 QTVNKVRKWQRQMF-WMZOPIPTSA-N 259.437 4.590 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H](C)CO1 718394707 KOWWEEVCIYKUDZ-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)CO1 718417052 XTGBKGTVCDTKNM-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCCCC2(C)C)c1 719198518 SOQSVSDBXOVIBH-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CC(C)C1CCC(C#N)(Cc2scnc2Cl)CC1 721150189 KCDMJASGGZWBKE-UHFFFAOYSA-N 282.840 4.695 30 10 CJEE CC(C)(C)c1cnc(SCc2ccc(C#N)cc2)s1 759717849 HLONMVUFSYOKAU-UHFFFAOYSA-N 288.441 4.605 30 10 CJEE CC(=NNc1cccc(Cl)c1C)C1CCSCC1 777430314 KKAZSGFDONQEPF-UHFFFAOYSA-N 282.840 4.579 30 10 CJEE C=CCCC[C@H](C)OC(=O)c1cc(C2CC2)cnc1Cl 796165044 AUBVFXXBXAYTEW-NSHDSACASA-N 293.794 4.514 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCCC(C)C)CCCCC1 1124360989 QSSINFMFZOSJSB-MRXNPFEDSA-N 279.468 4.844 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@H](CC)c1ccccc1 1206262678 BERPPMSXEWQMHB-FPOVZHCZSA-N 293.454 4.957 30 10 CJEE C=CCC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1 1264335807 OATIJCJVWFAERX-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=C(C)c1cccc(Nc2cnc3cc(F)c(F)cc3n2)c1 1307228599 QHLQUHNDZFRKJP-UHFFFAOYSA-N 297.308 4.685 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H](C)CCC(C)C)c1ccccc1 1354598155 SWLXIMJEWBQJKG-FUHWJXTLSA-N 287.447 4.677 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(-c2ccncc2)ccc1C 1434964072 SUROPJUJKBGMOY-OAHLLOKOSA-N 294.398 4.598 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCc2cc(C)cc(Cl)c21 1436636200 QLMQSCQQRKVYFJ-UHFFFAOYSA-N 291.822 4.530 30 10 CJEE C=CCC[C@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 1458138403 ZFEIZSMLKZVSLO-BDEQVGPYSA-N 297.442 4.947 30 10 CJEE C=CCC[C@H]1CCCN1c1cc(C(C)C)nc(C(C)C)n1 1458674712 RDVZXMBBDVTPGM-HNNXBMFYSA-N 287.451 4.658 30 10 CJEE C=CCC[C@@H](C)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 1474387678 QHTHKCQPZBSAAL-HZPDHXFCSA-N 287.451 4.535 30 10 CJEE C#C[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C 1474563498 QPQPPARHTNJCLK-GFQSEFKGSA-N 295.879 4.531 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc2cnn(CC=C)c2c1 1474730671 XUIZDACJOALSKG-MRXNPFEDSA-N 283.419 4.769 30 10 CJEE C[C@@H](OC(=O)CC1CCCCCC1)c1cccc(C#N)c1 1516898195 DAHNSRQCPSFYSW-CQSZACIVSA-N 285.387 4.523 30 10 CJEE C=CCC1(C(=O)N(Cc2ccccc2)CC(C)(C)C)CCC1 1521150088 YYPKIKXXZASAKC-UHFFFAOYSA-N 299.458 4.808 30 10 CJEE C=CCN(C(=O)C/C=C/c1ccc(C(C)C)cc1)C(C)C 1526152153 NOKORZIVZMNMGZ-BQYQJAHWSA-N 285.431 4.636 30 10 CJEE C=CCCCCCCCNC(=O)c1csc(C(C)C)n1 1527549481 KDNYXWLZKUJIBX-UHFFFAOYSA-N 294.464 4.523 30 10 CJEE C=CCCCCN1C[C@@H](c2ccccc2)CC1(C)C 1560187521 LFXSQVVTIUBBJB-KRWDZBQOSA-N 257.421 4.611 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21 1560941011 CHRTYLHPQDBZDO-DZOHQFGASA-N 289.850 4.703 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](CC)CCCC 1563431822 XNMGIIRMOHOVBI-GVDBMIGSSA-N 294.483 4.637 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@]1(C)Cc1ccc(C)cc1 1587359567 YSTDHHRNVQCUAN-YLJYHZDGSA-N 299.458 4.521 30 10 CJEE C=CC[C@H]1CCN1C(=O)CC1CCC(C(C)(C)CC)CC1 1603352913 IRNHYTXMDFFASI-JCYILVPMSA-N 291.479 4.796 30 10 CJEE Fc1ccc(C#Cc2cc(Cl)ccc2F)cc1Cl 1614827631 PSXJNNRJJHVCIG-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE Cc1ccc(C#Cc2cc(Cl)ccc2Cl)cc1 1614901348 DIHQXOYUEWDSCZ-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C#CCCCCCCN[C@@H]1CCCCC12CCCC2 1618114342 NJWIHBJVCSVWNO-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE C=C1CCC(CNCc2ccc(OCC(C)C)cc2)CC1 1621060561 DMFCLBFVKWKOQN-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCCCN(CC)C(=O)C(CC)(CC)c1ccccc1 1627341177 NMZPMWOOQGIDCU-UHFFFAOYSA-N 287.447 4.559 30 10 CJEE C=CCCCCn1nc(-c2ccccc2Cl)nc1Cl 1641422548 PWSXKDCKRRHJGT-UHFFFAOYSA-N 296.201 4.608 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc(C2CCCC2)ns1 1651237488 OXGCAPZULPDRDG-OCCSQVGLSA-N 291.464 4.743 30 10 CJEE C=CC[C@H](C)Sc1nc2cc(Cl)cc(C)c2o1 1651818630 UGPPCJYLMZRDJY-VIFPVBQESA-N 267.781 4.846 30 10 CJEE C#CCCCCCCSC[C@H]1OCCc2ccccc21 1652188897 RQHDRLOXDMMEKS-GOSISDBHSA-N 288.456 4.617 30 10 CJEE C#Cc1cccc(N(CC)CCCc2ccccc2Cl)c1 1652884064 YZIFBBPWEKEHRY-UHFFFAOYSA-N 297.829 4.780 30 10 CJEE C#Cc1cccc(N(CC)C[C@H](CC)CCCC)c1 1657774871 WMAKNJZNHUSAKC-QGZVFWFLSA-N 257.421 4.711 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1cc(Cl)cc2c1OCC2 1658965910 DQTURWVKJTWUFV-SWLSCSKDSA-N 293.838 4.670 30 10 CJEE C=CCOc1cccc(CNc2ccc(OC(C)C)cc2)c1 1661033930 OUTDXHNQUHZCHR-UHFFFAOYSA-N 297.398 4.651 30 10 CJEE C#CC[C@@H](NCc1cccc(Cl)c1C)c1ccccc1 1661967003 JBUHBPVIZKXXMW-GOSISDBHSA-N 283.802 4.503 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)CC1 1664328344 ARYFNXOALVDSCL-NCOADZHNSA-N 276.468 4.653 30 10 CJEE C=C(C)c1cccc(NC(=O)NCc2cccc(CC)c2)c1 1673600515 KXWLZCFYFRLDCI-UHFFFAOYSA-N 294.398 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CCCCCCC[C@H](O)[C@H](CCCC(C)(C)C)NC 2091795951 BXRZAWZPFCOSMV-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](CCCOCCC)NCCC 2092613606 INUJYVOBOMAKQU-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CC[C@@H]1CCC[C@@](O)(CC#CC2CCCCC2)CC1 2093458888 ACBMTUHIXCJMRA-SJLPKXTDSA-N 262.437 4.682 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H]1c2ccccc2CC1(C)C 2096547269 VGPYICJOOJYZSW-PBHICJAKSA-N 257.421 4.644 30 10 CJEE CCCCCCC[C@@H](NCCC)c1scnc1OC 2097768802 XXBPDUSOSGIFIC-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE C=C1C[C@H]1C[C@@]1(CNC(C)C)CCCC(C)(C)CC1 2102471420 RBZHYABUVLBSTO-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(OC)c(Cl)c1 2107077095 QRFCFDZZTUFJAQ-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2107652971 LIIVUIBRJGXUQP-XQLPTFJDSA-N 273.411 4.616 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(Cl)c(C)c2)cc1 2107697256 HHZZDJHLJDKRGD-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1c(F)cccc1Cl 2108213270 KKTUNKQDQNYKAM-HUUCEWRRSA-N 283.774 4.623 30 10 CJEE Cc1ccc(N(C)Cc2cc(C)c(Cl)s2)c(C#N)c1 2109076863 PBSWJKUHCGHFAL-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE CCCCCCCCNC[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2109724807 JEKVESSRZASNHG-KFWWJZLASA-N 273.411 4.618 30 10 CJEE C[C@](C#N)(C[C@@H]1[C@H]2CCCCC[C@H]21)c1ccccc1 2111051252 DNRBXXNVMGQCBV-VSZNYVQBSA-N 253.389 4.684 30 10 CJEE C=CC1(CC2(CNC3CC3)CCC(C)CC2)CCC1 2111708521 NUVQYSIXZWDVCF-UHFFFAOYSA-N 261.453 4.681 30 10 CJEE C=CC1(C[C@@H](NCCC)C(F)(F)CC2CC2)CCC1 2111710844 ISTSPUQSLOBYHO-CQSZACIVSA-N 271.395 4.536 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@H](C)C1CCC(C)(C)CC1 2112197932 RGEUTPSOHUFULQ-GDBMZVCRSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@@]12CC2(F)F 2115298342 SYLTVEIUWVCXDZ-SOUVJXGZSA-N 273.411 4.760 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1ccc(C2(C)CC2)cc1 2116659459 ZXYHJBRIBYOZEA-PBHICJAKSA-N 257.421 4.601 30 10 CJEE C#CCCCC[C@@]1(CNCCC)CCCC12CCC2 2116864407 DGYRVPCKCRWGTG-SFHVURJKSA-N 261.453 4.520 30 10 CJEE CC1=CCC[C@H](C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1=O 2119190103 AJYQGJJSKGQJDC-XQQFMLRXSA-N 274.326 4.671 30 10 CJEE CCCCCCCCCCO[C@H](C)C1CCNCC1 2119696025 WBFFFFGLRCHCOG-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C2C[C@@H]3[C@@H](C2)C3(C)C)CC1 2125187374 LQZSPRHKXXKQON-DAXOMENPSA-N 260.421 4.620 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@@]2(C)C(F)F)CC1 2125190894 DDYHOVRZUREMFB-BFQNTYOBSA-N 270.363 4.619 30 10 CJEE C=C1CC(CN(CC)c2cccc3ccccc23)C1 2125715967 SAHFAZBEUVFZHF-UHFFFAOYSA-N 251.373 4.632 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2CCC[C@@H](CC)C2)C1 2125729256 QHIQWWFHHWARPZ-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE CCCCC(C)(C)N=C1NC2(CCCCCC2)CS1 2129903122 RJGYPNZEXUCGFO-UHFFFAOYSA-N 282.497 4.741 30 10 CJEE CCC1(CC)CCC(N(C)CC#C[Si](C)(C)C)CC1 2130922939 LXDLBHMMWBBOJP-UHFFFAOYSA-N 279.544 4.548 30 10 CJEE C=CC1(CN[C@H]2CCCCC23CCCC3)CCCC1 2132973000 CHNFNIKIHLXKAZ-INIZCTEOSA-N 261.453 4.825 30 10 CJEE C=CC1(CN[C@H](C)[C@@]23CCCC[C@H]2C3)CCCCC1 2132979653 RLWIPNFBGODHMJ-RYRKJORJSA-N 261.453 4.681 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCCCCCCCCO)C1 2134073873 BPVPZTOMAXLCAV-IRXDYDNUSA-N 265.441 4.820 30 10 CJEE CC(C)C1CCC([C@@]2(C)C[C@]2(C=O)C(F)(F)F)CC1 2138789714 SXXOQSSAKOANGW-NWINJMCUSA-N 276.342 4.606 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1ccoc1C 2138961832 BAGFYPPEOOHWAK-QGZVFWFLSA-N 261.409 4.603 30 10 CJEE CCCCCC#CC[C@@]1(N)CCC[C@@H](C(C)C)CC1 2138989981 INPYZSGCWLFKCP-QZTJIDSGSA-N 263.469 4.894 30 10 CJEE CC#CC[C@H](NCCC)c1ccc(-c2cccs2)s1 2140967440 LVZZFSWXKNWFRV-ZDUSSCGKSA-N 289.469 4.931 30 10 CJEE C=CCCCCCC[C@H](NC)C(F)(F)C1CCCC1 2141908496 NLAJAMRIWHUEEI-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1OC 2142374114 FQBYJCUEYZYSRX-CQSZACIVSA-N 287.806 4.848 30 10 CJEE C=CCCCCCCCCO[C@@]1(C)CCC[C@H](N)C1 2142446752 QDKKETIHQJTVBB-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1cccs1 2142456944 JJJYWFSERYGPOF-GDBMZVCRSA-N 283.481 4.510 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCC(C)C)NCC 2142459718 YNOWKDBGFNQEON-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(C(C)C)nn1C 2144459643 HKSZOJSRPXHKKX-HNNXBMFYSA-N 279.472 4.555 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1NC[C@@H](C)C[C@H]1C 2144953779 PANNBKMPLUEUPW-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCC1(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 2146181279 COMJRCQXYQWMRY-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)C(C(C)C)C(C)C 2148604364 PRSBQFWFOWWHRK-WMZOPIPTSA-N 285.516 4.744 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](O)[C@@H](C)C(C)(C)C 2148610921 CDVKODMECWEFAI-IKGGRYGDSA-N 285.516 4.758 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(O)Cc1cccs1 2148622289 WXQPCGKQHJNIPX-IRXDYDNUSA-N 297.508 4.510 30 10 CJEE C=CCN(C[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCCC1 2149099861 WPVBJYOBOKFJPQ-DZGCQCFKSA-N 289.385 4.786 30 10 CJEE CC[C@@H]1CCCC[C@@H]1N=C1N[C@]2(CCCC2(C)C)CS1 2150546879 VRBSXJWJXAKZBN-JKIFEVAISA-N 294.508 4.597 30 10 CJEE CC1(C)C2CCC1([C@H](N)CC#CC1CCCCC1)CC2 2150873808 QTRVFHHNRFOOAD-TVRKMHQQSA-N 273.464 4.504 30 10 CJEE N#Cc1ccc(NC2CC(C3CCCCC3)C2)cc1Cl 2151223771 KUWDJHCVASVUAC-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE CCC1(CC)CSC(=N[C@@H]2C[C@@H]3CCCC[C@@]3(C)C2)N1 2154175578 PLNMIAIRCAGTKS-LZWOXQAQSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1cnc2sccn12 2155735151 FXXHFCBOBDEDFL-ZIAGYGMSSA-N 293.480 4.795 30 10 CJEE CCCCCCCCCN[C@H](C)c1cnc2sccn12 2155746419 TXGYFBMJRNYGDH-CQSZACIVSA-N 293.480 4.797 30 10 CJEE CC1(C)CCC[C@@](CC2(C#N)CCCC2)(C(=O)O)CC1 2157080931 AISQBELTPDIJJT-QGZVFWFLSA-N 277.408 4.522 30 10 CJEE C[C@@H]1CC[C@@H]([C@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)C1 2157916639 LAYZORQNGIQVIW-KFWWJZLASA-N 277.452 4.530 30 10 CJEE CC[C@H]1CCC[C@H](CN=C2NC(CC)(CC)CS2)CC1 2159519994 VDKVEEODFJNZPO-GJZGRUSLSA-N 296.524 4.844 30 10 CJEE O=C[C@@]1(CC2(c3ccccc3)CCCC2)CC=CCC1 2160088769 GCTIMDWVQUGOAW-SFHVURJKSA-N 268.400 4.814 30 10 CJEE CCCCCCCCC[C@@H](N)c1nsc(C(C)(C)C)n1 2163351855 YDODEJAXTPMWHJ-CYBMUJFWSA-N 297.512 4.976 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cccc2cccnc12 2164463332 XIWWJUADSDUGHB-GOSISDBHSA-N 269.388 4.563 30 10 CJEE C=CC1(C[C@H]2CCCc3ccccc3[C@@H]2NC)CCC1 2168032225 XPGYJGCBKUQRHS-SJLPKXTDSA-N 269.432 4.646 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)[C@H]1CCCCC(F)(F)C1 2168918577 NLRLRNNFOVMPSC-GJZGRUSLSA-N 285.422 4.620 30 10 CJEE CC(C)(F)[C@@](C)(F)C[C@]1(C#N)CCc2ccccc2C1 2168987342 GPUIYEQXARNBKK-IRXDYDNUSA-N 277.358 4.552 30 10 CJEE CCC1(CC)CCC(C#N)(Nc2cccc(F)c2)CC1 2171385258 VGASHCOTXRKMAM-UHFFFAOYSA-N 274.383 4.880 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N1CCCC[C@@H]1C1CCCC1 2171664274 JQFYISLIKZNCJT-KSZLIROESA-N 274.452 4.504 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@](C)(O)C1(C)CCC1 2172427252 RGXNJIXVRXEFCQ-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C#CCCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2)o1 2173455240 LBSFYDLOIDLHLX-HNNXBMFYSA-N 288.774 4.827 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)CC1CCCCCC1 2173632306 CUUIOIAEJNHXSN-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE CC1(C)CCC[C@H]([C@H](O)[C@@]2(C#N)CCCCC2(C)C)C1 2173640708 XOYGWDMSHOLTAM-MPGHIAIKSA-N 277.452 4.674 30 10 CJEE CCC#CC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 2174098595 SADCUBYECKECFN-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(F)c2Cl)C1 2176159286 DQRGXVRWDRRTGH-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cccc(F)c2Cl)C1 2176160517 YIAAWVJNQKGOKV-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1cccc(Cl)c1 2176544422 IOMBJDSOGYKHEY-JYJNAYRXSA-N 289.806 4.589 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCC3(CC3)CC2)c(Cl)c1 2176622331 XICUAUFYVMTDDG-HNNXBMFYSA-N 289.806 4.546 30 10 CJEE C=CC[C@@H]1CCCCN1c1c(C(C)=O)ccc(Cl)c1F 2178457026 MAOAGQSNRMGSRI-GFCCVEGCSA-N 295.785 4.617 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(OC(F)(F)F)cc1 2179682507 XJWRWEWNIDVTEA-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1CCOC2 2182425518 BDNWYNXRSOALFJ-UHFFFAOYSA-N 274.404 4.693 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCCC 2182512856 ONTHLMNCBWLQAY-RCCFBDPRSA-N 275.411 4.812 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(C)cccc1OC 2183190644 GPSFTNRDAQZVLA-CRAIPNDOSA-N 275.436 4.647 30 10 CJEE CCC1(C)CC(CN(C)c2cc(Cl)c(F)cc2C#N)C1 2184411550 SVDZFKHKDIHCKV-UHFFFAOYSA-N 294.801 4.613 30 10 CJEE C=C1CCC(C[C@H](NC)C(F)(F)C2CCCCC2)CC1 2185230641 MQBMWIFRBQNOFF-INIZCTEOSA-N 285.422 4.927 30 10 CJEE CCCC[C@](C#N)(CC)Cc1cncc(C(C)(F)F)c1 2188144213 JPMOSMPYBBCSCK-MRXNPFEDSA-N 280.362 4.846 30 10 CJEE N#C[C@]1(CC2CCC(F)CC2)CCOC12CCCCC2 2190628123 BAEOMMDHENRPNI-UYSNPLJNSA-N 279.399 4.538 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@]1(C)C[C@@H]1C)NCCC 2190939083 XKBLUQUYTHHNQG-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CC[C@@H]1C[C@H]1CCN=C1NC2(CCCCCCC2)CS1 2191456932 BAGLVGGKGJYCMS-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cnc(C(C)(C)C)s1 2196171602 LADLPFSBXAOTGR-CQSZACIVSA-N 292.492 4.675 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc(OC)cc1Cl 2196173129 ZCYDJNWNWWDKLY-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1ccc(F)c(C)c1 2196174019 JOTYEIRPQPLTLV-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C#CC[C@H](CN[C@H](C)c1cc2ccccc2s1)C1CC1 2196810305 KRADJZLPLZABLY-CZUORRHYSA-N 283.440 4.601 30 10 CJEE C#CC[C@H](C[C@H]1C[C@@H](NCCC)CC(C)(C)C1)C1CC1 2196857572 XIYCGSRRRJXTQP-CGTJXYLNSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@H]1CCCC(C)(C)CC1 2197139772 MDORJSAHHQQDNS-ROUUACIJSA-N 271.448 4.894 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC12CCOCC2)NCC 2198169503 UPMXWYJTHBCJPY-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CCCc2sccc21 2203788265 WSWINSACRPEWAW-RDJZCZTQSA-N 289.488 4.730 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](CC(C)C)C1)C1CCCCC1 2203802704 XAYBPECXTWKCEY-UHOSZYNNSA-N 275.480 4.763 30 10 CJEE CCCCCC#CC[C@H](N)c1ccccc1C(C)(C)C 2203830174 ZOSODLXXXKRRIV-SFHVURJKSA-N 271.448 4.958 30 10 CJEE CCCCCC#CCC(=O)[C@@H](c1ccccc1)C(C)C 2203882155 XNIZBRDGMKGFGW-LJQANCHMSA-N 270.416 4.969 30 10 CJEE C=CCCCCCC[C@]1(CNCC)C[C@H](OC)C1(C)C 2206891831 NFZVOVLKNBMHKA-FUHWJXTLSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCC[C@H](P(C)(C)=O)C1 2206896981 JULDJPHQBKBOBR-SJORKVTESA-N 299.439 4.989 30 10 CJEE C=CCCCCCCC(=O)C(CC)(CC)N(CC)CC 2206898069 FHORADOLYRXMET-UHFFFAOYSA-N 281.484 4.983 30 10 CJEE C=CCCCCCCN(C)Cc1ccc(OCC)cc1 2206900389 SSSMBGVZHLKIMT-UHFFFAOYSA-N 275.436 4.654 30 10 CJEE C=CCCCCCC[C@@H](CC1CC(OCC)C1)NCC 2206903928 WEIMMOSYYIRKDX-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@](O)(CC)CCC 2206904231 ZBHFQFMJVRKUOK-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCN1CCCO[C@@H](C(C)C)C1 2207382039 NOBNVKHZAPYILG-GOSISDBHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1cc(Cl)n(C)n1 2207395493 FCVYWLSJLMTAMJ-AWEZNQCLSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCCCC(=O)C[C@@H](CN)CC(C)C 2207402364 BNDVCZBVPISHAI-KRWDZBQOSA-N 281.484 4.873 30 10 CJEE C=CCCCCCCCCCOC[C@@H]1CCCCNC1 2207410369 QRGKOTDHMXQGFI-GOSISDBHSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CC2(CCC2)CO1 2207411369 CIPAGUSPKGJPLS-IRXDYDNUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCO[C@H](CN)c1ccccc1 2207412552 HDFNPDQHULXURM-GOSISDBHSA-N 275.436 4.620 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CCOCC1(C)C 2207424092 ASJCRWJSAYDROJ-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@]1(OC)CCSC1 2207434663 DSOPZVJUPXVOHG-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1CCC[C@@]1(C)N 2207435245 FYKUKMGLSOOXMR-FUHWJXTLSA-N 279.468 4.770 30 10 CJEE CCCCCCCCc1nc2n(c1N)[C@@H](C)C[C@H](C)C2 2207471709 YTDIMNAZINKGHM-KBPBESRZSA-N 277.456 4.512 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1ccsc1 2214614349 YHWRIZVHMCGRFV-HNNXBMFYSA-N 251.439 4.535 30 10 CJEE C=CCCCCCCCCOC[C@@H](CS)C1CC1 2218653554 VQOIZDRKCFCUJP-INIZCTEOSA-N 270.482 4.876 30 10 CJEE C=CCCCCCCC[C@@H](N)c1nc(C)c(C)s1 2220083328 OUGYXLZCFXYOPD-CQSZACIVSA-N 266.454 4.676 30 10 CJEE C=CCCCCCCCNC[C@H]1CCC[C@@H](F)C1 2220087246 QUAWRZHWLNNXJE-JKSUJKDBSA-N 255.421 4.631 30 10 CJEE C=C([C@@H](CCCC(F)(F)F)NCCC)[Si](C)(C)C 2222298529 STXURZYCJVAIGH-GFCCVEGCSA-N 281.438 4.521 30 10 CJEE CC(C)(C#N)CCCOCc1ccc(Cl)cc1Cl 2223302755 STEQOSLYDBBQCX-UHFFFAOYSA-N 286.202 4.840 30 10 CJEE N#Cc1ccc(N[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Cl)c1 2225296746 YRKLTRMLFMWOEH-DABQJJPHSA-N 274.795 4.592 30 10 CJEE CCCCC[C@H]1CC[C@H](C(=O)C#CC(C)(C)C)CC1 2225517988 LFAMTUBUGXAKDM-WKILWMFISA-N 262.437 4.992 30 10 CJEE C[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)C1 2225691150 NGRHASFFCGOXBZ-GIPNMCIBSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)C[C@H]2CC[C@H]1C2 2227271846 MHIVNAGRIUXUFD-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1C2(CC2)C12CC2 2227292224 YHAIJWUNNAZKHL-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE C#CC[C@H](C)C[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227501109 AOLHYPNSZWRCLR-JSGCOSHPSA-N 298.257 4.564 30 10 CJEE C=C[C@](C)(CNC1CCC1)CC(C)(C)CC(F)(F)F 2231488638 BDYVAKQCHZDABY-AWEZNQCLSA-N 277.374 4.690 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H](C)c1ccc(C)cc1 2232075673 GYSCAOQVDNLRAP-FUHWJXTLSA-N 259.437 4.823 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1OC[C@H]2CCC[C@@H]21 2233197818 MLFUGFQHLVBONX-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1CCC(C(C)C)CC1 2233781422 HCPANJHEHYIDKR-DAWZGUTISA-N 277.496 4.867 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CC[C@@H]1CC(C)C 2235536271 UMHVYSORLIHZMW-SJLPKXTDSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H](F)C1CCC1 2236403222 UEFQKIXPILGIOR-IRXDYDNUSA-N 284.463 4.653 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CC[C@@H]1C[C@H]1C)NC 2236452870 XHEYMTPJARKPHN-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=CCCCOC[C@@H](NCCC)c1cc(C)cc(Cl)c1 2238013975 CTFQCYLHCYOLMA-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CC1(C)CC=C(C(=O)C2(C)CC3(CC(F)(F)C3)C2)CC1 2239154597 ZEUSUJHZAVBTCK-UHFFFAOYSA-N 282.374 4.908 30 10 CJEE CCCCCCCCCO[C@H]1CCC(C)(C)[C@H]1NCC 2239468479 QOFDDFAPGUVDRD-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](N)CC)nc1 2239487418 QAAMVROVYVWXGD-INIZCTEOSA-N 278.440 4.621 30 10 CJEE C=C1CCC(CN[C@H](C)c2c(F)cc(F)cc2F)CC1 2239595120 YBDZXWDFKGKTQF-LLVKDONJSA-N 283.337 4.501 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@H](OC)C1CCCCC1 2240142519 TVHRDEYOBXCCAT-SZMVWBNQSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@@H](C)NCC12CCC(OC)(CC1)C2 2240530496 IWHGZMXMAJFQKS-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCCC[C@@H](C)C1 2240564129 AOACWIPWWHNNHX-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@H](C)NCC#Cc1ccccc1 2240641077 XAFVACKOQCWSHZ-GOSISDBHSA-N 271.448 4.767 30 10 CJEE CCCCCCCC[C@H](C)NCCc1cccc(C)n1 2240641218 YMPPFVVROONLOA-INIZCTEOSA-N 276.468 4.661 30 10 CJEE CC=C(CC)[C@H](NCC)[C@](C)(O)CCCCCCCC 2240654979 XDCVTUKAWZVXNL-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE Cc1c(Br)sc(C2=CC(=O)CCCC2)c1C 2243071393 ANRZQVFELDQIBC-UHFFFAOYSA-N 299.233 4.654 30 10 CJEE CCC(=CC(=O)c1cc2sccc2s1)CC 2246039486 JURCUSFVZPFWJR-UHFFFAOYSA-N 250.388 4.892 30 10 CJEE C=C1C[C@H]1C[C@H](N)c1cc(Br)cc(C(C)C)c1 2247236727 HEXZIAVFOAYFHF-WFASDCNBSA-N 294.236 4.539 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1scnc1Cl 2250135936 KUGWGDXZPVBZCH-NSHDSACASA-N 272.845 4.584 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(C)ccc1Cl 2250185494 OEENVRHMJSWFAL-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C)CCS1 2252952041 AWKNWDQQMNEJQB-HUUCEWRRSA-N 257.487 4.958 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1cnc(C)s1 2257384181 WRKQXSXOYZUMBN-OAHLLOKOSA-N 266.454 4.542 30 10 CJEE C=C(C[C@@H](NCC)c1cc(Cl)c(Cl)cc1C)OC 2258582706 HEGZLCQUMNOJNJ-CQSZACIVSA-N 288.218 4.503 30 10 CJEE C=CCCCSC[C@H](NCCC)C1CCCCC1 2258976053 NSFSULOTEXIIIU-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](SC)C1CC1 2259193801 GFZKFFRGYCVSEQ-HOTGVXAUSA-N 269.498 4.633 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CC(C)(C)CCO2)CC1 2265608736 SCAGDCAWEQZCLQ-CQSZACIVSA-N 263.425 4.692 30 10 CJEE CCCC#CC[C@H](C[C@H]1CCCC12CC2)NCCC 2266596008 QHGCYQUEMPWYSC-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C1(C)CCCCCC1 2268749974 GPOTZZGRBSFLEH-INIZCTEOSA-N 262.437 4.704 30 10 CJEE C=C(C)CCCCC(=O)c1ccnc2ccccc12 2271758277 KGQVNIVXIHUJRA-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc2ccccc12 2271769599 IKAMXKRRPCFCOP-SFHVURJKSA-N 253.389 4.976 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cc(C)cc(C)c1)NC 2271786055 SLMPCKKQNCJLFV-SFHVURJKSA-N 259.437 4.570 30 10 CJEE C=CC1(C[C@H](NCC)C2CC3(CC(C)C3)C2)CCC1 2272129088 RDZSPQUISBOZJK-HVEGKCCWSA-N 261.453 4.537 30 10 CJEE C[C@](O)(CC#CC1CCCC1)c1cccc(Cl)c1Cl 2274170893 JMQUOGISBMUQAJ-INIZCTEOSA-N 297.225 4.785 30 10 CJEE C=CCCCCCCC[C@@](C)(CCC=C)OCCN 2276064149 OPEOTBDSKPNCPH-QGZVFWFLSA-N 267.457 4.603 30 10 CJEE CCCCCCC[C@@H](OCCN)C1CCC(C)CC1 2276321908 RZVHCIGTDJSCLO-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1CCC 2276574003 AEVFRRCVMWZYJD-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](CCCC1CC1)OCCCN 2277264264 ZOFVKMRWZNTGHS-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=C(F)C[C@](C)(CCCCCCCCC)OCCN 2278241837 XFEGRTRNESOKGM-INIZCTEOSA-N 273.436 4.734 30 10 CJEE CC1CCC(C#N)(Cc2ccccc2OC(F)F)CC1 2282928895 OVQXNTANABQTLV-UHFFFAOYSA-N 279.330 4.551 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1COC2(CCC2)C1 2284757846 URAYJMGBURDXBI-SJORKVTESA-N 282.468 4.837 30 10 CJEE C=C(C)CCCC[C@H](N)Cc1ccc(C(F)(F)F)cc1 2287408697 LEPZKKMBIWSVON-HNNXBMFYSA-N 285.353 4.712 30 10 CJEE CCCCCCC[C@@H](CC1CC=CC1)OCCC(=O)O 2292191077 VGLMUBXPQCLQDM-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCC#CC[C@@H](OCCCN)[C@@H](CC)CCC 2292843208 MLYHYGUNAKQQCB-ZWKOTPCHSA-N 281.484 4.521 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1[C@@H](C)[C@H]1C)OCCN 2293164275 CPXLQVQBNNUNSF-MHORFTMASA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCC[C@H](C)C1 2293208530 MMEWGCFOZHXQST-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCC[C@@H]1C)OCCN 2294146292 USZPFIAETUHJDR-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCCN)c1ccccc1Cl 2294251523 KZZFNAWWBUNKHX-QGZVFWFLSA-N 295.854 4.523 30 10 CJEE CCCN[C@H]1CCCCC[C@H]1C#Cc1ccccc1Cl 2295205805 ZBCURPNBZDENHN-WMZOPIPTSA-N 289.850 4.640 30 10 CJEE CCC[C@H](CC(C)C)[C@H](C#Cc1ccccc1Cl)NC 2295213804 GNYIHLZDZYKUBB-AEFFLSMTSA-N 291.866 4.742 30 10 CJEE C#CCCCCC(=O)[C@](C)(O)CCCCCCCCC 2295601157 LFCBUUSINMYPGC-GOSISDBHSA-N 280.452 4.641 30 10 CJEE Cc1ccc(NC=CC(=O)c2cc(C)ccc2C)c(C)c1 2296876296 JNGXQBBKNSWWEP-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE O=C1C(=Cc2cccc(F)c2)CCC1=Cc1cccc(F)c1 2297334151 IFEQEPPBJWNCLN-UHFFFAOYSA-N 296.316 4.795 30 10 CJEE O=C(C=CNc1cccc(Cl)c1)c1ccc(Cl)cc1 2297533848 PLJUWJNEEQFOML-UHFFFAOYSA-N 292.165 4.802 30 10 CJEE C=CCC(CC=C)SCc1cc(N)ccc1Cl 2298820483 AJTNYZWGDMPNSP-UHFFFAOYSA-N 267.825 4.676 30 10 CJEE C=CCC(CC=C)NCc1cc(Cl)cc(Cl)c1 2298832666 XKONRWMFJYBFKI-UHFFFAOYSA-N 270.203 4.604 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)s1 2304020792 AKHJCJGJFUPTIG-AWEZNQCLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1sc(C)c(C)c1C 2304085304 CDXJJEAIGROQPO-OAHLLOKOSA-N 250.407 4.848 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(C)(F)F 2308967623 GVNYQLUDKHIHOV-MGPQQGTHSA-N 261.400 4.746 30 10 CJEE C#Cc1ccccc1NCc1cc2cscc2s1 2317692889 PCQGWSGMIFBOED-UHFFFAOYSA-N 269.394 4.556 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)cc1OC 2321179352 IDHACAYICOPIPQ-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(F)c(C)c1Cl 2321230738 AXNVPSXJKUHRJA-GJZGRUSLSA-N 270.775 4.813 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2CC[C@H]1C[C@H]2N 2334442874 QDTHYSWPTGZPSN-MWDXBVQZSA-N 269.448 4.983 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1(CC2CCC2)CC1 2338735420 LEVODFPYNRKYMU-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2cccc(F)c2o1 2341927721 ZZSAMDALWJSINK-AWEZNQCLSA-N 261.340 4.579 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(C2CCC2)c1 2341930705 VLJCFYIWXOZJKT-SFHVURJKSA-N 257.421 4.961 30 10 CJEE CCCCCCCCCNCc1ncc(C(F)F)s1 2343530663 ADMCVXBPEWNTKQ-UHFFFAOYSA-N 290.423 4.921 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc2ccccc2c1 2344337005 NMANXSGQOXFLMY-QZTJIDSGSA-N 253.389 4.832 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)c(F)c1 2344371473 KLFNRZBFWDZMMT-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=CC[C@H](C)[C@H](CC1C[C@H]2CCC[C@H](C1)C2)NCC 2344396349 NGWYZXREYIWXCC-OVWQWFNUSA-N 263.469 4.783 30 10 CJEE C=CCCCS[C@](C)(C(=O)O)[C@@H]1CCCC(C)(C)C1 2352009935 XFOUOGBPSSFDKG-CJNGLKHVSA-N 284.465 4.746 30 10 CJEE C=CCCCS[C@@](C)(C(=O)O)[C@H]1CCCC(C)(C)C1 2352009937 XFOUOGBPSSFDKG-XJKSGUPXSA-N 284.465 4.746 30 10 CJEE Cc1c(Cl)ccc([C@@](C)(O)C2(C#N)CCCC2)c1Cl 2353221126 FZXUPHCVOOQHNU-CQSZACIVSA-N 298.213 4.593 30 10 CJEE C=C(C)[C@H](NCCC)C1CCC(CC(F)(F)F)CC1 2353608383 ZONCDQVVXDPDEC-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc(C2CCC2)c1 2353835295 SBAOWAANEWDOAG-CQSZACIVSA-N 278.461 4.925 30 10 CJEE CCCCN(CCCC)c1ccc(C#N)c(SC)c1 2353837802 KQWBLZFLGGMCAQ-UHFFFAOYSA-N 276.449 4.687 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@]12COC[C@@H]1C2 2354589873 KORUPSMKJYZNNL-KSZLIROESA-N 281.484 4.532 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359890583 FATYKOWHURYJSU-CADBVGFASA-N 273.464 4.504 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccccc1C 2360203717 UKWDQOYHFTXQBB-SFHVURJKSA-N 289.488 4.900 30 10 CJEE Cc1ccsc1/C=N/c1cccc2ccccc12 271345 SNZBGSREMLDIPE-GZTJUZNOSA-N 251.354 4.960 30 10 CJEE CC[C@@H](C)[C@](C#N)(CCN(C)C)c1cccc2ccccc12 2039496 UVRPCMHJVMFIDJ-OXQOHEQNSA-N 294.442 4.599 30 10 CJEE C=C(C(=O)c1ccc(OC)c(Cl)c1Cl)C1CCCC1 39220279 CVSBGEUKAXLHQP-UHFFFAOYSA-N 299.197 4.931 30 10 CJEE C[C@H](C[C@H](C#N)Nc1cccc(Cl)c1)c1ccccc1 43535245 HNONZTQSXVJDMJ-CXAGYDPISA-N 284.790 4.838 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](O)c2ccc(OC)cc2O1 43967886 MIYVMTJIVXTHRF-WMZOPIPTSA-N 292.419 4.630 30 10 CJEE Cc1ccccc1CSc1cccc(Cl)c1C#N 48935932 LSEAPVMTULLHPR-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1csc2ccccc12 54465010 LJGZVSNCEACNIF-MRXNPFEDSA-N 284.428 4.778 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(OC)ccc1OC 59134420 KWPPGISAVQXHNZ-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccco1 83194256 BSCJFNYLYRAMAC-MDZDMXLPSA-N 268.356 4.782 30 10 CJEE CC(C)CCC[C@@H](C)Nc1nc2ccccc2cc1C#N 83686316 IHFAIZXQLCXJIA-CQSZACIVSA-N 281.403 4.733 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(N2CCCCCC2)CC1 86961866 HOXHCKXOYVWCIC-WMZOPIPTSA-N 276.468 4.751 30 10 CJEE CC(C)(C)c1ccc(OC[C@@H](CS)C(C)(C)C)cc1 94582790 WXCVMJQKXPWFNZ-AWEZNQCLSA-N 280.477 4.955 30 10 CJEE C=CCCC[C@H](N)c1cc2cccc(Br)c2o1 97220210 GIFBLKGJHXBGAR-LBPRGKRZSA-N 294.192 4.551 30 10 CJEE CCCCCCCCCOc1ccc(CCN)cc1Cl 107718203 ATAQOZBBKVRIRJ-UHFFFAOYSA-N 297.870 4.971 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H](C)OCC 113370638 RGCQRKORLGRWSW-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](CSC1CCCC1)NC 114868107 FUNHTZSZXNPYKD-CQSZACIVSA-N 257.487 4.611 30 10 CJEE CCCCCCCCC(=O)c1cc(N)cc(Cl)c1 122352702 MWOFSTMGKPZXPW-UHFFFAOYSA-N 267.800 4.856 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)c(F)cc1F 126265058 CGURIGINVATZKQ-OAHLLOKOSA-N 256.336 4.667 30 10 CJEE C#CCCCn1c(-c2ccccc2)cc2ccccc21 128482602 WZWDAZXUTKBUJU-UHFFFAOYSA-N 259.352 4.722 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](OC)C(C)(C)C 130908651 LADQAJWWAYULII-HZPDHXFCSA-N 271.489 4.776 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(O)C1(C#N)CCC(C)(C)CC1 132209125 JUEAUEQEUYODGT-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCNCC[C@@H](O)CC 135038515 KATBNSSBOKFNTD-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE C=C(CC)C[C@H](O)c1cc2cccc(Br)c2o1 137130762 YAWXTEAPGDTBAD-LBPRGKRZSA-N 295.176 4.585 30 10 CJEE C[C@H]1CC(C)(C)C[C@](O)(C2(C#N)CCCCCCC2)C1 156785688 HVASRTIYIQFNEC-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCNc1cc(NC)nc(CC)n1 161981433 RCHZHRTXGNFDOR-UHFFFAOYSA-N 292.471 4.633 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 162615957 WBUAMKZIJALDEM-DTWKUNHWSA-N 276.182 4.748 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 162648855 ILKHYEOUDZKEIP-JKSUJKDBSA-N 265.400 4.969 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc2ncccc2c1 164590212 RITORWYSEFXMFN-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCCCCCCCOc1cccc(/C=C\C(=O)O)c1 204550547 KLKIYWLHYABZHD-QXMHVHEDSA-N 276.376 4.524 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(F)c(OC)c1 215438865 AWCVFLLQFMXIOL-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C1CCCCC1 219676981 GATZAIJDLNBKPP-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccn2)C1 222252415 YPXQKXDBBDRWNB-ZNMIVQPWSA-N 288.460 4.918 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H](CC)c1ccccc1 229755422 SGXROGZVOGTTPX-ZWKOTPCHSA-N 259.437 4.905 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@H](CC(C)C)C2)c1 230779412 QULUHYXXNBPVQI-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCC[C@@H]1OC 232928974 XISJAIBBKCZYFF-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCOC1(CCNCCC)CCC1 232957478 CEKIUAYQYOQCIS-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE C=CCCCCCNc1cc(OCC)ccc1OCC 233797041 ZOUDDPHPBYQLCR-UHFFFAOYSA-N 277.408 4.642 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cccc(C)c2C#N)CC1 234072082 RCLDJOQOKOTLCY-LSDHHAIUSA-N 256.393 4.638 30 10 CJEE Cc1cccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1C#N 235929371 LXXWLCBVDZUXMF-WBVHZDCISA-N 270.420 4.884 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2cccs2)C1 251223821 ZDHKOHZOOWRQQK-KLHDSHLOSA-N 290.476 4.849 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NN 253009968 RAKRUCFKDJWBNJ-XSLAGTTESA-N 280.500 4.785 30 10 CJEE CCc1nc2ccc(C3(C#N)CCCCC3)cc2s1 260250312 APPPIESKSMSBMD-UHFFFAOYSA-N 270.401 4.584 30 10 CJEE N#CC[C@@H](c1ccc(Cl)cc1Br)C1CC1 260467631 WDVDECVCFBVXEB-SNVBAGLBSA-N 284.584 4.510 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)ccc1Cl 310337938 NFDDWVSWDBAUAI-CQSZACIVSA-N 255.764 4.615 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(F)c1 311417661 LPRWVAXJISDMQU-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CCCCCCCOCc1ccc2c(c1)CCCN2 311733045 ZFHDAUNILUWUMS-UHFFFAOYSA-N 261.409 4.532 30 10 CJEE Cc1ccc(N[C@@H](C#N)[C@H](C)C2CCCCC2)cc1 311758328 VUPWMNDZDXUDTG-PBHICJAKSA-N 256.393 4.516 30 10 CJEE CCCCCCCCOc1cc(F)c(N)cc1Cl 385339316 VTNFZBXHNYJBQM-UHFFFAOYSA-N 273.779 4.801 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/CC2CCC(C)(C)CC2)N1 393478672 NDPWKOGUJVWWNG-CQSZACIVSA-N 296.524 4.700 30 10 CJEE CCCCCCCC[C@H](COCc1ccccc1)NCC 395535949 SJABNRZPIGTOSK-LJQANCHMSA-N 291.479 4.932 30 10 CJEE CC(C)[C@H](C#N)CNc1cc(C(F)(F)F)ccc1Cl 397506222 GEUDNZVUMZGAIC-SECBINFHSA-N 290.716 4.566 30 10 CJEE C[C@@]1(c2c(Cl)cccc2Cl)CCC[C@H](CC#N)O1 400826092 UOTBODDBZLVULL-YGRLFVJLSA-N 284.186 4.691 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3C[C@H]3C2)CCc2ccccc2C1 403375592 KESIJNNCPVCNJM-HYEGPXJVSA-N 265.400 4.512 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C[C@H]2C1 403603401 HDNSMJYOFIHRGS-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCOC[C@H]1CCC[C@H](NCC)C1 404039171 ICWNUVHKGRNJDB-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](C)NCC=C(Cl)Cl 407164264 RZQBFECDZLFQFH-LLVKDONJSA-N 252.229 4.644 30 10 CJEE C[C@H](CC(C)(C)c1ccccc1)NCC1CCC(C#N)CC1 442874656 UNZIEYZSWGKIMG-WWDZGPRUSA-N 298.474 4.662 30 10 CJEE C[C@H](c1ccc2ccccc2c1)N1CCC(C)(C#N)CC1 506047230 IYIASRJGHRBJKM-OAHLLOKOSA-N 278.399 4.526 30 10 CJEE CCCc1ccc(C(=O)/C=C\c2ccccc2)cc1 642882830 ZYQKFQGMXWMPNT-KAMYIIQDSA-N 250.341 4.535 30 10 CJEE C#CCCCCC[C@@H](O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 686685958 QWPAPLVLVYRQRZ-UPMGZUDPSA-N 274.448 4.538 30 10 CJEE O=C(CC1(c2ccccc2)CCCC1)C1=CCCC1 686738875 XLKNSOAXDVHGJF-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc2ccccc2n1 692233770 DYXLSCWGHOPXEH-GOEBONIOSA-N 266.388 4.782 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(F)cc1 692272778 NJKQKTUHSSTJFA-FRFSOERESA-N 261.384 4.611 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CNc2ccccc21 695628535 FMNJABDMYFZONC-SJLPKXTDSA-N 275.436 4.697 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 696086114 PWWLDOXDNGCOMT-HNNXBMFYSA-N 291.504 4.944 30 10 CJEE CCCC[C@H](CC)COCc1ccc(C)c(C#N)c1 701861944 XODUVIYIXWHYFX-HNNXBMFYSA-N 259.393 4.600 30 10 CJEE C#C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C(C)(C)C 702268370 UWWBQUQTNBAHII-ZWNOBZJWSA-N 284.230 4.692 30 10 CJEE CCCCCCCNCc1cc(F)ccc1Cl 703734035 LWYBHQNLXJXHJI-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCCCCCCCCN(CCN)c1ccccc1 703946259 OPFBSHXIGZAMQL-UHFFFAOYSA-N 276.468 4.592 30 10 CJEE CC(C)CCC[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 703987218 NSJLVEQMKOTDQN-PQUAAJSLSA-N 279.468 4.920 30 10 CJEE C[C@H](N(C)CCCCC(C)(C)C#N)[C@@]12CCCC[C@H]1C2 709084446 WIFUTHPUFHPXLY-BQFCYCMXSA-N 276.468 4.607 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CC(C)(C)CC[C@H]1C 713084546 UEQDPXKROCLZMR-BZNIZROVSA-N 274.383 4.633 30 10 CJEE CC[C@@H]1CCCC[C@H]1/N=C1/NC2(CCCCCC2)CS1 713212199 AAYGSDCOTHLFSM-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1coc2ccccc12 715809976 AXQXLCLWKLXMFA-SUMWQHHRSA-N 257.377 4.686 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CCC2(CCC2)O1 717154790 AXKFBSKDDJZODM-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE C=CCCC(C)(C)N[C@H](c1ccccc1)C(F)(F)F 717943289 FIQXCUMLZQIDKV-CYBMUJFWSA-N 271.326 4.624 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Br)cc2)CC1 724612739 LQVCPIHNCOVXFJ-HNNXBMFYSA-N 295.220 4.619 30 10 CJEE CCCCCCCCCCN(CC)CCCCC(=O)O 725079221 IEFCZOMKRJIFMS-UHFFFAOYSA-N 285.472 4.704 30 10 CJEE CCCCCCC[C@H](C)NCC1CCC(C#N)CC1 799735730 IGCJPQPINBYDGZ-GTPINHCMSA-N 264.457 4.655 30 10 CJEE CC1(C)CC(CNCC2(C#N)CCCC2)CC(C)(C)C1 829416013 IFVRQEIVOLORAW-UHFFFAOYSA-N 276.468 4.512 30 10 CJEE C=C(C)c1cccc(NC(=O)c2nccc3ccsc23)c1 1134629490 NSIJHZULHRPNSE-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(Cl)c(OC)c(OC)c1 1182626280 XDXCQPSATYIQEQ-GFCCVEGCSA-N 297.826 4.904 30 10 CJEE C=C1CCC(CN[C@H](C)Cc2ccccc2SC)CC1 1183726725 ALTGHZKCBKVWKW-OAHLLOKOSA-N 289.488 4.676 30 10 CJEE C=CCCCCCCCCNC(=O)NC1C(C)(C)C1(C)C 1229461070 UVJIXSSYZFHMEY-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=C[C@H](CC)CC(=O)N1c2ccccc2S[C@H](C)[C@@H]1C 1265784314 QVOMFYDGZVGBCC-BFHYXJOUSA-N 289.444 4.505 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H](C)SCCCC)CCCC1(C)C 1270803988 XXTDCDQEPLXAHK-LSDHHAIUSA-N 297.508 4.502 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)[C@H](CC)c1ccccc1 1307440534 NKNSTCLBQHFPFM-HXUWFJFHSA-N 290.410 4.698 30 10 CJEE C=C(Cl)CNC/C(=C\c1ccccc1)CCCCC 1308283119 QTCZZRCBAMKVJT-ATVHPVEESA-N 277.839 4.992 30 10 CJEE C=CCCC1(CNC2CCC(C)(C#N)CC2)CCCC1 1308464291 SLSVVLDGGDHPMK-UHFFFAOYSA-N 274.452 4.575 30 10 CJEE C=CCN(CC1CCC(C)(C)CC1)c1ccccc1 1308694966 CGKQDHVSAQRRLS-UHFFFAOYSA-N 257.421 4.895 30 10 CJEE C=CCCCC[C@@H](C)NCC[C@@H]1CCCC1(C)C 1308875190 ZHZRQYMXOHHIJG-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C#C[C@H](NC(=O)Nc1cccc(C2CCCCC2)c1)C(C)C 1311039881 ARHLFKGPEKIOKI-SFHVURJKSA-N 298.430 4.514 30 10 CJEE C=C(C)C(C)(C)C(=O)N(Cc1ccccc1)CC(C)(C)C 1359984953 RDSIPTTVBGMSNL-UHFFFAOYSA-N 287.447 4.664 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CCCCCCCCCCCCN1CC[C@H](O)[C@@H]1CC 2288844378 JACNXUZOSCONGH-ROUUACIJSA-N 283.500 4.753 30 10 CJEE C=CCCCCCCCSCC1(C)CC(C#N)(NC)C1 2289610769 OBGSPBOJYNGILM-UHFFFAOYSA-N 294.508 4.528 30 10 CJEE CCN[C@H](C#CC1CCCC1)C(CC)(CC)C(F)(F)F 2289783525 QKSNYIMMNDYWJA-CQSZACIVSA-N 289.385 4.527 30 10 CJEE CC(C)NC[C@@H]1CC[C@@H](C)C[C@H]1CC#CC1CCCC1 2289873169 AYCLIFHBIANVGI-QRQLOZEOSA-N 275.480 4.621 30 10 CJEE CCCC1CCC([C@](C)(N)CC#CC2CCCC2)CC1 2289905415 RXCYVFPYEADPSY-NKELODKYSA-N 275.480 4.894 30 10 CJEE CC(C)(C)CC1CC([C@@H](O)C2(C#N)CCCCCC2)C1 2289942550 AJKFMUIFTUBGAA-UYSNPLJNSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)C=CCCC1 2290625777 MGWOPUDGGMIGBS-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@](C)(OCC(=O)O)C1(C)CC1 2292591361 ZFMJYYIOISBYDD-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE Cc1ccc(C(=O)C=CNc2ccc(F)c(Cl)c2)cc1 2293250283 MOQGJGJAJIWCRW-UHFFFAOYSA-N 289.737 4.596 30 10 CJEE CCCCCCC[C@@](C)(CCC1(F)CCC1)OCCN 2293737905 WBYIWVGKDRIMHN-INIZCTEOSA-N 287.463 4.753 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCCN)C1CC1 2294022114 WMWJTKZUGYWMRX-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@](CC)(OCCCN)[C@H]1CC1(C)C 2294031571 BPKCMDMXECBLKJ-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1[C@@H](C)[C@@H]1CC 2294152789 ZQLCMJXIHOQLMD-XLAORIBOSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC[C@H]1C1CC1 2294342228 JMKNFBZYSXSJJH-ZWKOTPCHSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCCN)CCC[C@H](C(C)C)CC1 2294554764 WGHKJHVVMLBLFU-OKZBNKHCSA-N 281.484 4.539 30 10 CJEE CC1(C)CCC[C@]1(C#N)c1ccc2ccc(Cl)cc2n1 2294981476 LKOXPAXMIFJUOB-KRWDZBQOSA-N 284.790 4.860 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)Cc2ccc(Cl)c(F)c2)CC1 2295291399 GEHRFACWFAQFPN-CYBMUJFWSA-N 294.797 4.973 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CCCCN1C 2295690804 GBFNOHDHHVWBLK-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=C(C)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2302872452 XVBIXGXSVLJHDJ-LLVKDONJSA-N 276.182 4.749 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(F)c(Cl)cc1Cl 2306215111 PVBZVNMGTMWHBQ-OQPBUACISA-N 276.182 4.605 30 10 CJEE CC[C@H](OC[C@](C)(CS)C(C)(C)C)C1CCC1 2307101435 ARAXOFIBBIHVKB-DZGCQCFKSA-N 258.471 4.564 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2C[C@H]12 2312118006 QBRWREHVMTZMST-LTIDMASMSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@H]1CC[C@@H]2C[C@H]12 2312409926 HNYBSFNOCPQFOM-WCXIOVBPSA-N 250.426 4.700 30 10 CJEE C=CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2316689547 ANHOMLLFQWIGOA-ZDUSSCGKSA-N 286.246 4.789 30 10 CJEE SCCCCCCCCCOC[C@H]1CC12CCC2 2318812162 BCUDWMSQJBATCM-OAHLLOKOSA-N 270.482 4.854 30 10 CJEE SCC1(CO[C@@H]2CCCC3(CC3)C2)CCCCC1 2319055361 HSWGZZWUAMZMLE-CQSZACIVSA-N 268.466 4.606 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]2C[C@H]21 2319370906 ZYYWTTOSGLOANG-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]1C1CC1 2319770242 VLRSLDNXHHIIPF-BHYGNILZSA-N 251.458 4.761 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C)(C)C(C)(F)F)NC 2321117011 MCGOPXKEMDTPRQ-GXTWGEPZSA-N 261.400 4.638 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(F)c(Cl)c(F)c1 2321139107 WZBYEIVHJUHVFF-CQSZACIVSA-N 272.722 4.793 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C)CCCC1)NCC 2321146210 WSXHSNXWQWIRIZ-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCCCc1ccc(C(=O)C=Cc2cccc(OC)c2)cc1 2323078610 WHNXEYXYKGPLHK-UHFFFAOYSA-N 294.394 4.934 30 10 CJEE C=CCN(Cc1cc(F)c(Cl)cc1Cl)CC1CC1 2325183161 DFHVRWPAZFWSHN-UHFFFAOYSA-N 288.193 4.531 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C[C@H]1C[C@@H](C(F)(F)F)C1 2327728162 BSQKWOGYMJZUFO-RVMXOQNASA-N 259.315 4.685 30 10 CJEE C=CC[C@H](C)OC(=O)CCCSc1ccc(Cl)cc1 2335110559 LMZLVWVJJPYRAH-LBPRGKRZSA-N 298.835 4.720 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](NCC)CC(C)(C)C1 2335189461 ZOOKYEJWPMQQRX-GDBMZVCRSA-N 281.509 4.797 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2335201352 SZXCRIWBJPCTOG-ZNMIVQPWSA-N 283.525 4.877 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(COC)s1 2336717378 WXEKFVKUGTVVCA-INIZCTEOSA-N 284.465 4.853 30 10 CJEE CC(C)CCC[C@@](C)(O)[C@]1(C#N)CCCC(C)(C)C1 2337651544 QFWFPCVYHLXSOX-IAGOWNOFSA-N 265.441 4.674 30 10 CJEE C#CCCCCCCNCC1CCC(CCC)CC1 2338856523 QBIKGQNYHQYPNG-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C)c(C)c1F 2344341182 ZPNGTCPXKCQKTE-SJORKVTESA-N 263.400 4.695 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)NCCC 2344369296 OGSBYNDWJAYPNT-IECFSIQFSA-N 263.469 4.783 30 10 CJEE C=CCCCSC1(C(=O)O)CCC(C(C)(C)C)CC1 2352006790 OLPYJPGJGBIQDU-UHFFFAOYSA-N 284.465 4.746 30 10 CJEE CCCCCCC[C@](C)(SC[C@@H]1CC1(C)C)C(=O)O 2352188563 DCWQGGUWRODKKT-BBRMVZONSA-N 286.481 4.970 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@@H](CC)C1 2352213797 DAUKKQXKVMCXBL-CZUORRHYSA-N 282.449 4.664 30 10 CJEE CC(C)c1cccc(NCCCC(C)(C)C#N)c1F 2352917446 UJVFEXWSOVEBEE-UHFFFAOYSA-N 262.372 4.691 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355162085 IFMZGVZMLRKZQL-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCNC[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358322938 ZEVBRQKUFXXKED-OAGGEKHMSA-N 285.422 4.784 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(N)C[C@@H]2CCC[C@@H]21 2359729379 NKMGTZJWCSIBJS-XYJFISCASA-N 279.468 4.604 30 10 CJEE C=CCC(CC=C)Sc1cc(F)cc(C[C@H](N)CC)c1 2360207965 LEFSPSMLEIYHHO-OAHLLOKOSA-N 293.451 4.718 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCC2(F)F)NCCC)CC1 2360544832 DRPLJLCFVZFBBA-HZPDHXFCSA-N 285.422 4.927 30 10 CJEE CCCCCC[C@H](C)N[C@@H](CC#N)c1ccccc1 55018028 IZZYDSSEOGJAAX-RDJZCZTQSA-N 258.409 4.590 30 10 CJEE Cc1cccc(CSc2nc3ccccc3cc2C#N)c1 71390716 BVCQMXRJNPFUOM-UHFFFAOYSA-N 290.391 4.707 30 10 CJEE CCOc1cc(C)c(Cl)cc1C(=O)/C=C/c1ccco1 83193217 CVLGUZLLIADBGP-VOTSOKGWSA-N 290.746 4.536 30 10 CJEE N#Cc1cc(F)ccc1Nc1c(Cl)cccc1Cl 88171000 VBZANCZWNADONA-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCC[C@@](C)(O)CCNC(C)C 91466458 OXVVJMVJSSIDBV-QGZVFWFLSA-N 271.489 4.656 30 10 CJEE SCC1(COCc2ccccc2Cl)CCCCC1 94583587 YUYHFRYIEKTOJM-UHFFFAOYSA-N 284.852 4.737 30 10 CJEE CCCCCC[C@@H](C)OC[C@@H](CS)C(C)(C)C 94583941 JCICSODKXYGHLD-KGLIPLIRSA-N 260.487 4.954 30 10 CJEE Cc1ccc(OC[C@@H](CS)C(C)(C)C)c(Cl)c1 94585136 HFHQULIQIRVCCO-NSHDSACASA-N 272.841 4.619 30 10 CJEE CCCC(CS)(CCC)CSc1ccncc1 94616531 YKGIFEYVYJXTME-UHFFFAOYSA-N 269.479 4.690 30 10 CJEE C=C(CC)C[C@H](CSc1cccc(F)c1)NCCC 97323497 DTUJCJUWUWYEPP-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE CCCCCCCCOCCN[C@H](C)CCC(C)C 104013003 WTUVPKXELBVAMA-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(F)ccc1OCCC 107682000 BRVUBPMKCOZXFH-ZIAGYGMSSA-N 262.368 4.768 30 10 CJEE CCCCCCCO[C@H](c1ccc(F)cc1)[C@H](N)CC 109987454 FBPLHMDPRLGAKB-IAGOWNOFSA-N 281.415 4.591 30 10 CJEE CCCCCCCOC[C@H](O)c1ccc(CCC)cc1 110022408 FSTLQXVNIYAXIM-SFHVURJKSA-N 278.436 4.660 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1NCC 110083991 GUOFFGCPGHLOHS-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](C)CC[C@@H]1NCC 110083995 GUOFFGCPGHLOHS-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCn1ccc2c(CCN)cccc21 112985323 DDLYLSNVLQXNMD-UHFFFAOYSA-N 286.463 4.893 30 10 CJEE CC(C)CCN(c1ccc(C(F)(F)F)cc1C#N)C1CC1 113048306 HCDCTDWRWFJGEG-UHFFFAOYSA-N 296.336 4.592 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@H]1CC 113217839 UJFXGSRSZMJRFC-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(N(C)C)CCCC1 118173091 YGHNPVDRJKEOMC-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCn1ccc([C@@H](O)CC)c1 118241804 ZIJBTBHREKNDOV-INIZCTEOSA-N 251.414 4.682 30 10 CJEE CCCCCCCOCC[C@H]1CCC[C@@H]1NCCC 118779328 DQQSUVBBPHBENN-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(C)c1C 122350814 WHWPOVZGYAGIKZ-QGZVFWFLSA-N 262.441 4.558 30 10 CJEE CCCCCCCC[C@H](O)CCc1cccs1 122373323 SFHISECUYSMGPI-AWEZNQCLSA-N 254.439 4.792 30 10 CJEE CCCCCCCC(=O)c1c(Cl)cnn1C(C)C 124168148 AMBKOZAYZXIKEN-UHFFFAOYSA-N 270.804 4.661 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(Cl)ccc1OC 125763876 GSIKQTPTAUMYTB-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CCCCc1ccc(Oc2c(F)cc(C#N)cc2F)cc1 126282084 BWUVLGQHOVVRRT-UHFFFAOYSA-N 287.309 4.971 30 10 CJEE CSc1cccc(SCc2cccc(C)c2)c1C#N 136995499 KNKAMYUUEJVEIU-UHFFFAOYSA-N 285.437 4.881 30 10 CJEE CCCCCCCCCC[C@H](CC[C@H](C)OC)NC 143435968 FHWGCVBMENYPGP-DLBZAZTESA-N 271.489 4.920 30 10 CJEE C[C@H]1CC(C)(C)CC[C@H]1Nc1cc(Cl)ccc1C#N 155868812 LHEBDYNISZCLTG-SMDDNHRTSA-N 276.811 4.838 30 10 CJEE C=CCCC[C@@H]1CC(C)(C)CC[C@H]1CNCCC 156288014 DUCYGKCQDGLUOV-CVEARBPZSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CCCCO1)NCC 158022736 WGRMJZFFGHBWJQ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCc1ccc(NCc2cc(F)cc(C#N)c2)cc1 162930002 GPGOFKJFFAQTOO-UHFFFAOYSA-N 282.362 4.652 30 10 CJEE C[C@](C#N)(CCCC(F)(F)F)Nc1ccccc1Cl 163593964 NITXXBTXAVLGQI-GFCCVEGCSA-N 290.716 4.767 30 10 CJEE CC(C)(C)c1cccc(OCc2cc(F)cc(C#N)c2)c1 163728124 XBUPOVHKUYYBKL-UHFFFAOYSA-N 283.346 4.574 30 10 CJEE CCCCCCCCC[C@@H](N)C(CC)(CC)OC 164428089 JDQRSSGNORGRSR-OAHLLOKOSA-N 257.462 4.660 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(F)c(Cl)c1 164588692 MCIGYYDJHBYKQG-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCCCCCCCCCC[C@H](CCC)NN 167277188 FYXQUKIBABADRH-INIZCTEOSA-N 256.478 4.929 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(OC)cccc1OC 168175249 JOOVWCVMUDBUSF-OAHLLOKOSA-N 294.435 4.878 30 10 CJEE CCC1CCC(Oc2cc(C)ccc2/C(C)=N\O)CC1 212858718 XWNXFDAOTPQHGE-AQTBWJFISA-N 275.392 4.541 30 10 CJEE CCCC[C@H](CC)COc1cc(F)ccc1/C(C)=N\O 215136181 LPIZNKPSMAUCFC-CYUIRQCWSA-N 281.371 4.619 30 10 CJEE C[C@H](N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccccc1 219547366 LQJCMFQDAVPBSL-KXBFYZLASA-N 292.426 4.900 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 226593900 WANXLJHTACIILJ-JLLWLGSASA-N 296.197 4.606 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H](CC)CC1 226969040 CRSFGQIYWBZZNJ-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CC1(C)CCCN([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 227888865 VRUILGNKKUWFMN-GVDBMIGSSA-N 290.495 4.853 30 10 CJEE C=CCC[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229384229 GOJUVBFUUKLLAV-HYLCPLCXSA-N 261.453 4.537 30 10 CJEE CCC[C@@H]1CCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2C#N)C1 230258666 QFUJHAOGDOJJIK-ZJPYXAASSA-N 290.495 4.853 30 10 CJEE CCCCCCCCC(=O)CC1CC(OCC)C1 232176347 YUZCQAUCJHHOHW-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE CC(C)CCN(CCC(C)C)CC[C@@H](C)CCS 232549104 KJIRDKNUWPLHSM-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE CCCCCCC[C@@H](C)NCc1ncc(CC)s1 232930568 FHKIZPLJLPRYHP-CYBMUJFWSA-N 268.470 4.544 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@H]1SCC 232939317 CPBNMWQXYBZQSQ-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE C=CCCCCC[C@@H](NCC)c1sccc1OC 233611004 KVZHCGUGSCCDNQ-CYBMUJFWSA-N 267.438 4.544 30 10 CJEE N#CC1(c2ccc(OCc3ccccc3)c(Cl)c2)CCC1 260325769 CIMDLOQZBAREDT-UHFFFAOYSA-N 297.785 4.864 30 10 CJEE C=C(C)c1cc(Br)cc(C(C)(C)CC#N)c1 260479180 KXDOTUTUJUXEHU-UHFFFAOYSA-N 278.193 4.673 30 10 CJEE C[C@@H](C#N)c1ccc2sc(C(F)(F)F)cc2c1 260909853 XUUXRMBCOQEHBT-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE CCCCCCCOc1ccccc1C(CC)=NO 310713674 CDMYKROLYANSQI-UHFFFAOYSA-N 263.381 4.624 30 10 CJEE Cc1c(Cl)ccc(N)c1Oc1cccc(Cl)c1C#N 311408781 YSWWQERIMNHUDZ-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE N#Cc1ccc(COc2cc(F)ccc2Cl)c(Cl)c1 311550460 LPGGHMSQZWAZMS-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCc1ccc(Oc2nc(Cl)c(C#N)s2)cc1 312055958 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30 10 CJEE C=C[C@@H](CCCCC)Oc1nc(CNC(C)(C)C)cs1 2239505212 QMGLFYYVBSKYDV-AWEZNQCLSA-N 296.480 4.545 30 10 CJEE CCCCCCCCCCCOC[C@H]1CC(F)(F)CN1 2239553937 GCTXJUORXHDMHM-OAHLLOKOSA-N 291.426 4.531 30 10 CJEE CCCN[C@@H](CC#Cc1ccc(CCC)cc1)CCC 2239734837 LTKFLJCFGSROFI-LJQANCHMSA-N 271.448 4.549 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@H]1CSc2ccccc21 2240221945 LFQUGRQEXYIZEZ-GJZGRUSLSA-N 287.472 4.600 30 10 CJEE CCCCCCCC[C@H](C)NCCC1(O)CCCCC1 2240640917 VQNJMDMCTMBUNX-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE CCC[C@H](CC)[C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 2242039652 IGKXZFUJNRJNTF-LSDHHAIUSA-N 296.455 4.598 30 10 CJEE CCCCCCC[C@H](NC)c1cocc1Br 2244217616 RMKVXXRKPHEKEV-ZDUSSCGKSA-N 288.229 4.663 30 10 CJEE C=C(C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2247238412 FNLUJMNWNYDVPY-HNNXBMFYSA-N 296.252 4.799 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cscc1Cl 2248464872 IGTMEROMBBMKQT-UHFFFAOYSA-N 266.793 4.580 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccccc1Br 2250154442 UYHQIBMYSYJYCV-OAHLLOKOSA-N 296.252 4.760 30 10 CJEE CCC[C@@H](CC)CNc1ccc(C#N)c(Br)c1 2250379325 SIZDMVFIHITKNN-LLVKDONJSA-N 295.224 4.559 30 10 CJEE CCCCCCCCCN(C)CC1CC(SC)C1 2256771123 XVNVKXHJJNUXTO-UHFFFAOYSA-N 271.514 4.810 30 10 CJEE C=C(C)CCCC[C@@H](CC1CC(F)(F)C1)NCC 2259210388 HYBLQJGMGSKHRM-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(C(F)(F)F)cs1 2259212026 VGWOEXQPTWUJIO-NSHDSACASA-N 278.339 4.937 30 10 CJEE C=C(C)CCCC[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C 2261447913 ZOWPMFUSCMRKMU-HUUCEWRRSA-N 251.458 4.913 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC2(C)CC(C(F)(F)F)C2)C1 2264523647 GHUBLNYLGISSRF-ABXWRUBCSA-N 276.342 4.751 30 10 CJEE O=C(CCC12CC3CC(CC(C3)C1)C2)C1=CCCC1 2265108901 ITYGZEWTWXLPGR-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@H]1CC(F)(F)C12CCC2 2266116474 HHTFXHVYRQJJQK-GXTWGEPZSA-N 270.363 4.597 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)c1ccsc1 2268757595 QSCPUZQXUQJEMN-MRXNPFEDSA-N 275.461 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCCCCCC[C@H]1N 2268767090 CJHIDGISVLWCOA-DLBZAZTESA-N 261.453 4.670 30 10 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CC[C@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2F)C1 87972837 USWFXJBPNPBFJU-LRDDRELGSA-N 263.331 4.617 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2csc3ccccc23)C1 87973415 SHUQOWLGIDOKMT-BLLLJJGKSA-N 255.386 4.774 30 10 CJEE CCC[C@H]1CCC[C@](O)(C2(C#N)CCCCCC2)CC1 91903435 PAIFJNDFYIXKBV-FUHWJXTLSA-N 277.452 4.962 30 10 CJEE CC(C)(C)[C@@H](CS)COc1ccc(C(F)(F)F)cc1 94582277 MWKSBAWCGNDKDZ-LLVKDONJSA-N 292.366 4.676 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(F)c2)C1 94623131 AMWPYWOLVSNKLE-TYNCELHUSA-N 263.381 4.636 30 10 CJEE CCCCCCCOC(=O)c1cnc(Cl)c(Cl)c1 104418204 PIQKMOVBFBXFDQ-UHFFFAOYSA-N 290.190 4.516 30 10 CJEE CCCCCCCn1cc(C2=CCNCC2)c2ccccc21 107037070 OSZMEGWWFIXYOF-UHFFFAOYSA-N 296.458 4.988 30 10 CJEE CCCOc1ccc(C(F)(F)F)cc1[C@H](C)CCC#N 107475732 RGQNBXXAKIWVPP-LLVKDONJSA-N 285.309 4.901 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(Cl)c(OC)cc1OC 107675110 BLGBBXYHGPUWDJ-RYUDHWBXSA-N 280.795 4.510 30 10 CJEE CCCCCCCCCCC1(CNCC)CCOCC1 110214556 AIYLBJQEECNBON-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE Cc1cc(Nc2cc(Cl)ccc2C#N)c2ccccc2n1 110251969 DOBHYUNRNWCVMW-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE C[C@H]1Cc2ccccc2N(c2cc(Cl)ccc2C#N)C1 110259477 SJCBLXUAXFTYKE-LBPRGKRZSA-N 282.774 4.542 30 10 CJEE CC(C)[C@@H](Nc1ccc(F)cc1C#N)c1cccs1 111762410 BNZNELXROJAIKN-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE C#CCCC[C@@H](C[C@H](C)CC(C)(C)C)NCCC 122946153 MFNJIRJTBOQFQV-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CCCCC1 125620960 HTFHWUUTWJMHQL-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCC[C@H](CSCC(C)C)NN 126615462 HVFBDKAGQGNDNQ-MRXNPFEDSA-N 288.545 4.738 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2Cl)cc1F 135232214 IMXNMBPYBOLSOT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@@H](NC)c1snnc1CCC 139395834 GLNYTSWZKOQJPY-CQSZACIVSA-N 297.512 4.892 30 10 CJEE C[C@H](N[C@@H](C)C1CCCCCC1)c1ccc(C#N)cc1 149837963 DAKXZWMYZLYUNW-GJZGRUSLSA-N 270.420 4.568 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1CCCN2 158058690 ZKGJSVWJJHFKKT-UHFFFAOYSA-N 273.420 4.978 30 10 CJEE CCCCCCCC[C@@](C)(O)Cc1ccccc1F 158712668 FJHQAIWJAWVYSF-QGZVFWFLSA-N 266.400 4.870 30 10 CJEE C=C(C)CCOc1c(Cl)cccc1CNC(C)(C)C 164403918 JXDRKBXWFNNIIW-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166298273 FIIXDDQOBQFOHH-SRCQZFHVSA-N 291.460 4.799 30 10 CJEE CCC(CC)[C@H](C)Nc1cccc(Br)c1C#N 168545293 XWFIJOAFCCHFTG-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 212288874 SQQKYWBBYQMSEW-BZSNNMDCSA-N 265.485 4.887 30 10 CJEE C=C(C)C[C@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 219363306 WOOPDQHQFVGEDR-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCC[C@@H]2C(C)C)C1 227956713 QVOKBOPCJAJZKI-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE C=CCSCCN[C@H](CCCCC)c1ccccc1 231933098 YZMNVHXMTLHJJQ-QGZVFWFLSA-N 277.477 4.817 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232364188 ANXUQWTWUVGCKD-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@@H]1NCCc2ccc(OC)cc21 232941004 OSKSXRQIWADHHI-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=CCCCCCC(=O)c1cccc(OCCC)c1 233243373 DPTRFIKLUSRUKV-UHFFFAOYSA-N 260.377 4.795 30 10 CJEE C=CCCCCCNc1cc(OC)ccc1Br 234825972 WOXYZGMBRGUXEY-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE O=C(C1=CCCCCCC1)C1(c2ccccc2)CCC1 236393944 KYOVWHWWMUFARE-UHFFFAOYSA-N 268.400 4.958 30 10 CJEE N#Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 250086850 UKEDGDGINXCQRS-XYJFISCASA-N 290.341 4.524 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 250181315 LVBWRPWNQXFPCV-ARFHVFGLSA-N 251.458 4.641 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C)CC[C@H]1CNC(C)(C)C 251228063 PMVHUFYPLCXNPN-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CC[C@H](C(C)C)C2)C1 252839157 ASGVYIXWMVGDHO-XDNAFOTISA-N 290.495 4.709 30 10 CJEE CCN(CC)c1ccc(N=C/C=C\c2ccccc2)cc1 254576769 BODGKRNEHJKQCY-ATWLRJHWSA-N 278.399 4.949 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H](C(C)C)CC1 311188554 BVEUNLYNHPHCKA-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE Cc1cccc(N[C@@H](CC#N)c2ccccc2)c1Cl 311489031 NBHHUDVWSVQSQX-AWEZNQCLSA-N 270.763 4.715 30 10 CJEE CC1(C)CCC(C#N)(c2nccc3sccc23)CC1 311664758 KMVCCXDBXXLTRQ-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)c(F)c1)C(F)(F)F 311891338 DFNANBLAOYVEIA-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cn(CC)cn1 312548868 QELIDCSVPANHNR-INIZCTEOSA-N 279.472 4.694 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2C[C@@H]2c2ccccc2)C1 316793479 HYYGCEDGBCQKHL-DDBAPUKQSA-N 256.389 4.576 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccccc2Cl)CC1 317293498 LBXDGIYROWFTSJ-UHFFFAOYSA-N 264.796 4.668 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 320095043 VEOTYIJSVHHTCV-COPLHBTASA-N 269.310 4.995 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CC(F)(F)c1ccccc1 384734496 BUYIHMFDPDDUPZ-DZGCQCFKSA-N 263.331 4.889 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cccc(Cl)c1F 384819670 DXDHISSUBUTWQL-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCc1ccc(NC[C@@H](C#N)C(C)(C)C)cc1 397597599 QXPSOSWUTVRWAE-OAHLLOKOSA-N 258.409 4.627 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CCOC1)NCCC 400991391 YMZKHEOLDLCWLL-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@@H](N)C1(C)C 404827378 GUZZTJFMOORHGG-SJLPKXTDSA-N 283.500 4.786 30 10 CJEE C=CCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 405685093 BGQGMAGFRUJODF-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C[C@](C#N)(CC/C=C\c1ccccc1)c1ccccc1 405755861 MPQHQGMCDKDLNE-KEEQEYLASA-N 261.368 4.961 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 505000993 MVVDFKIOMJTUAF-HNNXBMFYSA-N 294.398 4.688 30 10 CJEE CCCCCCCCOCc1ccc(C)nc1Cl 688576799 NVLDHNIJLWCUDV-UHFFFAOYSA-N 269.816 4.921 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@]12COC[C@H]1C2 689162840 KTJFFUUWAQXAMJ-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1cccc(C#N)c1 691050779 XKUZNLCVXXDCFE-DLBZAZTESA-N 256.393 4.575 30 10 CJEE CCc1ccc(N=C2N[C@@H](C(C)(C)C)CS2)cc1Cl 691292461 MPLMBFOIOHTINS-CYBMUJFWSA-N 296.867 4.641 30 10 CJEE CCCC1CCC(C=O)(C[C@@H](C)c2ccccn2)CC1 692924497 SAQJNLJORUICLU-KLHKWILBSA-N 273.420 4.751 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1cc2cscc2s1 694402124 XRVJKABTRFBWOS-OAHLLOKOSA-N 295.473 4.595 30 10 CJEE CCCCCCCCCC[C@H](NC)c1c(Cl)cnn1C 696514340 ATVJCJKBBZXGHO-HNNXBMFYSA-N 299.890 4.865 30 10 CJEE CC(C)(C#N)CCCCNCc1c(Cl)cccc1Cl 696976592 UIRKEEHOONZXFW-UHFFFAOYSA-N 299.245 4.803 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2ccncc2c1 702705283 NYWWGEOWQOVORT-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCC[C@@H]1CCS/C(=N/[C@H](C)c2cccc(Cl)c2)N1 716798926 KBNWHJFQTABPLF-BXUZGUMPSA-N 296.867 4.652 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C(F)(F)F)cc1 717918876 HYVSYOPSBMKFNK-UHFFFAOYSA-N 271.326 4.540 30 10 CJEE C[C@H](OC[C@H](CS)C(C)(C)C)C1CCCCC1 719741789 CBUVJWYCBVWRNB-GXTWGEPZSA-N 258.471 4.564 30 10 CJEE C=CCCCCC[C@H](NCC)C1(C)CC(F)(F)C1 720508033 YOFQJVQKTWTIIP-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@H](C)O[C@H](C)C1 724300166 DFLVFHWRDABNPN-NCOADZHNSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H](NC)c2csc(C)c2C)CC1 724556854 AYBQHDWWPCEYRF-MRXNPFEDSA-N 263.450 4.762 30 10 CJEE C=C(CC)CNC(CCC(F)(F)F)CCC(F)(F)F 926550643 MWFFEILLCHDWMI-UHFFFAOYSA-N 291.279 4.596 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccc(CCC)cc2)c1 1192140192 QMNYTPNJJHKXLR-UHFFFAOYSA-N 277.411 4.647 30 10 CJEE C=CCC[C@H](CCC)NCC[C@@H]1CCC(F)(F)C1 1207752534 CHSHGXDQPUWLIH-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](CC)CC[C@H]2C)c1 1210299362 HHADGIDAVGPBNU-HUUCEWRRSA-N 286.419 4.762 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H](C)[C@H](C)CC)c1ccccc1 1265309593 VXVBTOBEZZVUPX-NUJGCVRESA-N 287.447 4.677 30 10 CJEE C#CCCCCCCNC[C@]1(c2ccccc2)CC1(C)C 1308876278 JJDZFIPXQXAOPG-FQEVSTJZSA-N 283.459 4.528 30 10 CJEE C=C(C)c1cccc(NC[C@@H]2CCN(c3ccccc3)C2)c1 1308970407 KBXWGEDSCZQLKO-KRWDZBQOSA-N 292.426 4.658 30 10 CJEE C#C[C@@H](NC(=O)Nc1cccc(C2CCCCC2)c1)C(C)C 1311039880 ARHLFKGPEKIOKI-GOSISDBHSA-N 298.430 4.514 30 10 CJEE C=C[C@@H](CC(=O)NC1CCCCCCC1)c1ccccc1 1350666756 NCBOKHCFYJVZNL-INIZCTEOSA-N 285.431 4.575 30 10 CJEE C=CCC[C@@H](NC(=O)C=C(CC)CC)c1ccccc1 1435621408 NNDMQBCRDBWWHE-QGZVFWFLSA-N 271.404 4.557 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(Cl)cc1SC 1453216791 VKACCXLXZWDEIH-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=CCC1(C(=O)Nc2cccc(OCC(=C)C)c2)CCCC1 1455930581 SFZOJMXEJOQITK-UHFFFAOYSA-N 299.414 4.717 30 10 CJEE C=CCC[C@H](NCCSC(F)(F)F)c1ccccc1 1459855198 YYAONMOIIKORMN-ZDUSSCGKSA-N 289.366 4.537 30 10 CJEE C=CCCC[C@H](NCc1ccc(C#N)s1)c1ccccc1 1460710416 PGRLGVSCHNCBOT-SFHVURJKSA-N 296.439 4.807 30 10 CJEE C#CCCOc1ccc(CNCCCCC2CCCC2)cc1 1461250577 DZBFMWGCUDEBDT-UHFFFAOYSA-N 299.458 4.539 30 10 CJEE C=CCCCCCN(C)Cc1ccsc1Cl 1473179792 TYLMKVFHQWHTJO-UHFFFAOYSA-N 257.830 4.580 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCCC[C@@H]2CC)CCCCC1 1526995035 FKGRXUXLVBDTSY-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1530314005 FPQJDWXELUNBAS-BHYGNILZSA-N 276.420 4.657 30 10 CJEE C=C1CCC(C(=O)N[C@H](C)CCC2CCCCC2)CC1 1538011218 JYKFRARRHAWGEC-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=C(CC(C)C)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1538416053 WZIUUDFRVATLAQ-UHFFFAOYSA-N 287.447 4.545 30 10 CJEE C=CC(C)(C)C(=O)O[C@H](C)c1ccc(OCC(C)C)cc1 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260.487 4.812 30 10 CJEE CCCCCCCCC[S@](=N)(=O)[C@H]1C[C@@H]2C[C@@H]2C1 2257885947 JLSBVDXRGLYKSU-KRXQYRFLSA-N 271.470 4.582 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCC(C)(C)C1 2259199481 RZURQYBSYSGLSL-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(OC)cc1Cl 2259200475 MAWYROQNLAYXSY-OAHLLOKOSA-N 268.784 4.519 30 10 CJEE N#C[C@@H](CSC1CC2(CCC2)C1)C1CCCCC1 2260492171 XCODCMCOCLEDHU-AWEZNQCLSA-N 263.450 4.772 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(C)(C)[C@H]1NCCC 2261424949 OHASVMHHKXGZEL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2261440308 AHONATFPGMJCGG-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@@H]1CF 2263669579 JTICQMZLMZZVRM-OAGGEKHMSA-N 257.437 4.840 30 10 CJEE C[C@](C=O)(CC1CC2(CCCC2)C1)c1ccccc1 2265203924 UTRXHBPWAGMEJL-QGZVFWFLSA-N 256.389 4.504 30 10 CJEE C[C@@H](Nc1c(F)cccc1C#N)c1ccccc1Cl 2265764963 NFFJSOXFDWWOBG-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CC1CCCCC1 2268751369 XAHGQISHKOQYJK-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE CC(C)(C)C#CC=CCOc1ccc(Cl)c(N)c1Cl 2268835101 RQFZEEWLEWPCBT-UHFFFAOYSA-N 298.213 4.560 30 10 CJEE C=CCCCCCCCNCCc1ccccc1Cl 2269545460 YFWQAXAAJHMZLA-UHFFFAOYSA-N 279.855 4.999 30 10 CJEE C=CCCS[C@@H]1CCCCCC(F)(F)[C@@H]1NCCC 2271600277 ZNFAMUTYACKDQR-ZIAGYGMSSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc2ccccc2c1 2271784778 HFCOQMXPCYGMAO-GOSISDBHSA-N 253.389 4.976 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@@H]21 2271793399 WHIGXQGKNOLEDK-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)c1cc2sccc2s1 2271840139 ZCJVICGRDMIPOI-OAHLLOKOSA-N 294.441 4.702 30 10 CJEE CCC1CCC(C#N)(CCCc2ccncc2)CC1 2272102292 ZSCGRSCDHVYVGI-UHFFFAOYSA-N 256.393 4.514 30 10 CJEE C=C[C@@H](C)CCN(C)c1nc(Cl)cc2ccccc12 2273251173 QPYBYQPBLOOACD-GFCCVEGCSA-N 274.795 4.537 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(SC)s1 2274165418 WNWSKMUVAHHIEH-CQSZACIVSA-N 293.501 4.704 30 10 CJEE CCCCCCCC[C@H](CC1(C)CCC1)OCCN 2276633615 LBKXSQPSZQZPEN-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@](CC)(OCCCN)C(C)(C)C 2276774552 WZRYGCFSFATYDO-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1sccc1CC 2283076532 PWVUUSZHEVVEML-MRXNPFEDSA-N 294.460 4.830 30 10 CJEE CCCc1ccc(C(=O)C#Cc2cccc(Cl)c2)cc1 2283385175 DVRUBRHIPFLGTP-UHFFFAOYSA-N 282.770 4.527 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1(CC2CC2)CCC1 2284102914 KRHJIZVRJMHWQJ-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(C)c(C)c1 2284106720 VRIPADSKJFWGOB-GOSISDBHSA-N 269.432 4.560 30 10 CJEE CC(C)(C)C#CC=CCNC1C[C@@H]2CCCCC[C@H]2C1 2284183239 OHKYPZMVGRACQQ-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE C=C1CCC(NCCCCCCCCCCCO)CC1 2286804093 BNXLOZDMZVLSAY-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE C=CCCCS[C@H](C)[C@@H](NCC)c1ccc(CC)cc1 2287075519 DIIQOXICSPSMNB-CRAIPNDOSA-N 291.504 4.988 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@]1(OCC)CCC[C@H](C)C1 2287467203 MIKRUUOKAFYVMF-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE N#C[C@]1(CCCc2ccncc2)CCCCC12CCC2 2287711852 KCBDTLGJXVLJHJ-GOSISDBHSA-N 268.404 4.659 30 10 CJEE C=C(CC)C[C@@]1(OCCC(=O)O)CCCCC[C@H]1CC 2292125754 OIGSLUOAJOSYEV-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](C)(OCC(=O)O)C1CCCC1 2292433222 ITAJPKKYYISDAU-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C([C@](CC)(OCCCN)C1CCCCC1)[Si](C)(C)C 2293322377 MYYHHLVIWAWURZ-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C(C)(C)C 2293367525 DQNKTTAVIWXFBO-ZACQAIPSSA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1(CC)CCC1 2293775066 AXWRTXRYWGDIKI-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCN)C1(C)CCCCC1 2293900907 JJDMWLUVGKSBBA-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@](CCC)(OCCCN)C1CCC1 2294049254 YWCWLLXBKBZREU-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1csnc1C 2294068982 NKPQXFXISAVLJF-MRXNPFEDSA-N 298.496 4.609 30 10 CJEE CCCC[C@H](CC)[C@H](C#Cc1ccccc1Cl)NCC 2295211042 FXWGNJHKTQYBLY-YJBOKZPZSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@@H](OC)C1CC1 2295679687 RQWQXQOHLAJSRQ-LZLYRXPVSA-N 283.500 4.919 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CCCCF)NC 2295685326 WIXRBLFMFDTXHP-DLBZAZTESA-N 289.479 4.606 30 10 CJEE CCCCCCCCC[C@H](C)NCCCCCN(C)C 2295689152 NFMMDPVXXRBHEA-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@H]1CCC[C@@H]1O 2295690182 YTEFWCFZNIALTH-MLHJIOFPSA-N 283.500 4.655 30 10 CJEE COc1ccc(C(=O)C=C(C)Nc2ccc(C)c(C)c2)cc1 2297351384 RWVFITHZLQAXPP-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CCC(CC=C)SCc1cccc(Cl)c1N 2298900913 KDDAGOOMNJMOFR-UHFFFAOYSA-N 267.825 4.676 30 10 CJEE C=CC[C@H](C)Sc1sc(CNC(C)C)cc1C 2298951099 VRSZSKJBVNEJIH-LBPRGKRZSA-N 269.479 4.611 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Cl)s1 2301067290 YKVSFBHKYIITOP-CQSZACIVSA-N 269.841 4.821 30 10 CJEE Cc1ccc(Cl)cc1OC[C@H](CS)CC(C)C 2308052950 GLUJGHMJIINULG-GFCCVEGCSA-N 272.841 4.619 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)nc(C(C)C)n1 2313628861 MJKQLABLJPSKIW-UHFFFAOYSA-N 282.840 4.866 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(F)(F)F)c(C=O)c1 2313633074 OZYAVLALLZUGAX-SECBINFHSA-N 274.307 4.575 30 10 CJEE CC(=CCOC[C@H](CS)C(C)C)CCCC(C)C 2316548193 WDKAIYLBKFFDDH-MRXNPFEDSA-N 272.498 4.978 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H](C)CC(C)(C)C)NC 2316738723 KQHXYNSUYKAPNJ-HOCLYGCPSA-N 251.458 4.805 30 10 CJEE Cc1c(F)ccc(C[C@]2(C#N)CC[C@@H](C)C2)c1Cl 2317097806 UGBZGGFGCDDUQP-BMIGLBTASA-N 265.759 4.660 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)ccc1Cl 2321111808 BASUQKPKQBYZJB-CVEARBPZSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](CC)CC(F)F)NC 2321128961 XYESTGDBRNEEGX-NFAWXSAZSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C)c(F)c1Cl 2321139210 XSNOZSOSWXNJCS-HNNXBMFYSA-N 268.759 4.963 30 10 CJEE C[C@@H]1[C@@H](OCC2(CS)CC(C)(C)C2)CCC[C@H]1C 2321722749 KVLZKGFZZMJCPB-RDBSUJKOSA-N 270.482 4.564 30 10 CJEE C=CCCON=C(C)c1ccc(-c2ccccc2)cc1 2330458797 FIUPBVAOGDEPRI-UHFFFAOYSA-N 265.356 4.670 30 10 CJEE C=CCC(CC=C)SCC[C@@H]1CCC[C@H]1NCCC 2335095885 GZMDYJLKZOEMHW-DOTOQJQBSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)Oc1cccc(F)c1C(F)(F)F 2335105125 ACPZRUGFGVXDQR-UHFFFAOYSA-N 274.257 4.744 30 10 CJEE Cc1cc(C#N)ccc1OC(CC(C)C)CC(C)C 2335227690 AEOOQQADXWAQPF-UHFFFAOYSA-N 259.393 4.706 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccccc1CC 2337079499 RUVGLNMLMODAQH-QILLFSRXSA-N 257.421 4.644 30 10 CJEE CCCCCCCCCCOCCC[C@@H]1C[C@H]1CN 2337490888 KKBMIDGQWPSDRD-SJORKVTESA-N 269.473 4.519 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN 2338725684 TWTMHNPGMNINCL-BBWFWOEESA-N 263.469 4.792 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCCC[C@H]1C(C)C 2339906816 AKBUGZDRWHONPR-WMZOPIPTSA-N 255.405 4.685 30 10 CJEE Cc1c([C@H](C#N)NC2CCCCC2)ccc(Cl)c1Cl 2340524984 FGDQIWRBEMAPKY-AWEZNQCLSA-N 297.229 4.789 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1CC(F)(F)C12CCC2)NCCC 2341922080 IRQZYPDDMGIIDF-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1csc(C(C)(C)F)n1 2342049676 XAZMSIJPCNEZGE-NWDGAFQWSA-N 284.444 4.601 30 10 CJEE C[C@H](CS)COC[C@H](c1ccccc1)C1CCCC1 2342481837 KEKGYPGGZLCICH-WMLDXEAASA-N 278.461 4.543 30 10 CJEE C=C[C@@](N)(CC)C[C@H](c1ccccc1)C1CCCC1 2342486134 RWYOFNFHYAIQHY-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE CCCCCC#CCN(C)C[C@@H]1CC[C@@H]1C(C)(C)C 2343218367 UNYWSLQXANJWKH-IRXDYDNUSA-N 263.469 4.574 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC2(CCCC2)C1)NC 2344348748 NEMISRRJTJYQBQ-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C(F)(F)F)CCC1)NCC 2344395183 IHHPOGIRGCDJFB-LBPRGKRZSA-N 277.374 4.690 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cccc(C(C)(C)C)c1 2344408884 GGPBTLISZOGWNO-UHFFFAOYSA-N 258.405 4.698 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C(C)(F)F 2352145549 XLXXVNJVBVCHTB-CYBMUJFWSA-N 294.407 4.745 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H]1CCC2(CCCC2)C1 2353841376 NIGNKUIGTFBSDP-CVEARBPZSA-N 283.525 4.623 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H]1CCCCCC12CC2 2353844677 DKXJYIIJTWUGAX-CVEARBPZSA-N 283.525 4.623 30 10 CJEE CCCCCC[C@@H](C)OCCOc1ccc(CC#N)cc1 37138615 QWQKANABZUBVSV-MRXNPFEDSA-N 289.419 4.507 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)c(F)c1 43390712 IGOMGXYWRSUAFA-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1c(C)cc(C)cc1C 44809070 ULUCJGVLSLTLEI-UHFFFAOYSA-N 286.419 4.661 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C)c2ccc(Cl)cc2)c1 51579982 KFORWQVLJLJLMG-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1csc2ccccc12 54464693 ZOQHDRHDFFHEGN-OAHLLOKOSA-N 282.343 4.717 30 10 CJEE CCCc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1 54824989 LBCRLXNDKNDGJL-NVXWUHKLSA-N 256.393 4.523 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccc(C)cc2)cc1 57684734 ALEWREGCSHGMAU-GOSISDBHSA-N 279.383 4.770 30 10 CJEE C[C@](C#N)(CCCOc1ccc(Cl)cc1)c1ccccc1 57687452 ANEZRJGDLOFWDK-GOSISDBHSA-N 299.801 4.980 30 10 CJEE CCCCCCCNc1ccccc1N1CCCC1 59426987 SRKHFGXSUMDEAK-UHFFFAOYSA-N 260.425 4.669 30 10 CJEE CCCCCCCCNc1ccc(C)cc1[N+](=O)[O-] 59456479 OJTLVWJWGHQFJM-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1cc(C)ccc1C 59526169 ZGYHXQCVZXTOPB-MRXNPFEDSA-N 276.420 4.862 30 10 CJEE C[C@H]1CCC[C@@H](CCNc2ccc(Cl)cc2C#N)C1 71029743 LLZRHWZCVJGPSQ-STQMWFEESA-N 276.811 4.840 30 10 CJEE Cc1cc(C)cc(C2(C#N)CC(c3ccccc3)C2)c1 86559316 UJVYWKITEDZOPY-UHFFFAOYSA-N 261.368 4.642 30 10 CJEE SCC1(CSc2ccc(Cl)cc2)CCCC1 87095992 LGRYKTIKXOWORV-UHFFFAOYSA-N 272.866 4.922 30 10 CJEE CCC(CC)(CS)COc1ccc(Cl)c(C)c1 94582254 ADNBNVFYCWEVND-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE Cc1cc(C)cc(CSc2cc(C)ccc2C#N)c1 94718354 PQTUKGYIOXQJRY-UHFFFAOYSA-N 267.397 4.776 30 10 CJEE O=C1/C(=C\Nc2cccc(Cl)c2)Sc2ccccc21 100404411 LZMOOHFHZGBUIN-NTEUORMPSA-N 287.771 4.582 30 10 CJEE C=CCSc1ccccc1NCCc1ccccc1 103972786 HNVZWWQWMTVAHA-UHFFFAOYSA-N 269.413 4.619 30 10 CJEE N#Cc1cc(F)ccc1Sc1cccc(Cl)c1 104241312 IBWMHVNXEKCDKR-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cccc(Br)c1C 107511206 SAOHHXKHKHDVBO-WDEREUQCSA-N 265.194 4.520 30 10 CJEE CCCCCCCCOCc1cc(CNCCC)co1 110171285 SXJDKWLJNGYIHU-UHFFFAOYSA-N 281.440 4.656 30 10 CJEE CCCCCN(c1ccc(C(F)(F)F)cc1C#N)C(C)C 110256321 HGSHYQFPYSQKHK-UHFFFAOYSA-N 298.352 4.982 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)ccc1F 110258222 QUPXRXCEHRDWMM-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCC[C@H](Nc1ccccc1Cl)C(=O)OC 110318932 KRCSVPURTILNOW-HNNXBMFYSA-N 297.826 4.654 30 10 CJEE CCCCCCCCN(CCC)C(CC)(CC)CN 110464444 LHVMAQQHIJNNER-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCCCCC[C@H](NCC)c1cc(C)ccn1 111728407 LZVWJOMBWIUFRL-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCNCc1cccc(C#N)c1 113011642 HVKYPGYGEQBCSY-UHFFFAOYSA-N 272.436 4.789 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H]1CCCO1 114994211 APOQVUIFTCDDKO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(CC)o1 115063102 LWIYZJAMSUUXED-HNNXBMFYSA-N 251.414 4.853 30 10 CJEE CCCCCCCCCCS[C@H](C)CC(=O)OC 116781220 CLJNVVXBOAFBEN-CQSZACIVSA-N 274.470 4.812 30 10 CJEE CCCCCCCCC(=O)Cc1cccc(OC)c1F 122247454 XBOMSUJHBTZRCR-UHFFFAOYSA-N 280.383 4.697 30 10 CJEE CSc1cccc(Nc2cccc3ccncc23)c1C#N 136684427 SIXPKJUPJBNLEQ-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CCCCCCCCn1c(C)cc2c1CCC[C@H]2O 147326588 DUISDNWGOWBLLZ-QGZVFWFLSA-N 263.425 4.527 30 10 CJEE CC(C)CCCCNc1ccc(C(F)(F)F)cc1C#N 147507964 VSJCQYNAIVOBLJ-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE C=C(C)CC[C@@H](Cc1c(F)cccc1Cl)NCCC 159193205 BZWSVNABQPTMSU-ZDUSSCGKSA-N 283.818 4.746 30 10 CJEE N#CC1([C@@H](O)c2cccc(Cl)c2F)CCCCCCC1 167058301 CPRSDUQFZJEUDP-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE CCCCCCCCCCC(=O)CCCNC(C)C 167802712 JZWIIMRAXAMWGS-UHFFFAOYSA-N 269.473 4.865 30 10 CJEE CC[C@H](C)/N=C(\O)OCC1c2ccccc2-c2ccccc21 202270562 PHZJRFZPKNTWLE-ZDUSSCGKSA-N 295.382 4.528 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccc(Cl)cc1Cl 212966920 FPEGOCQUXUSPIB-DOMZBBRYSA-N 297.229 4.823 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H](C(C)C)CC1 227428305 YKCQTNGZMFVDGR-MOPGFXCFSA-N 296.543 4.822 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C)c(Cl)c1 229734937 CUSXDXDIRFQHNX-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE N#Cc1ccc(Nc2cc(F)ccc2Cl)c(Cl)c1 231820401 YQGIGSKYOODFDP-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C#CCSCCNC1CCCCCCCCCCC1 231935082 AONZANNMVQHROY-UHFFFAOYSA-N 281.509 4.616 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)Sc1ccccc1Cl 233282831 MREXSHSKFIIKAC-ZWNOBZJWSA-N 253.798 4.760 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(SCC)cc1 233870287 LQCFXHSLZYHXCS-MRXNPFEDSA-N 264.434 4.969 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)c2ccccc12 233986667 DBLIHOCWQRAVMU-UONOGXRCSA-N 266.388 4.948 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)cc(Cl)c1 235794337 NHMBVINVYOWOFP-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252435183 INHRHABVIPNKLC-WNRNVDISSA-N 290.495 4.996 30 10 CJEE C=CCC[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 253055150 YMQQLYXKEZFBRL-BPQIPLTHSA-N 259.437 4.761 30 10 CJEE Cc1cc(N=CC2=C(O)/C(=C\c3ccccc3)CCC2)[nH]n1 254624783 ROZHBWHLRICCMA-TWERBRQASA-N 293.370 4.500 30 10 CJEE Cc1cccc2c1-c1ncccc1C2=Nc1ccccc1 254679357 YTLVNNCRRHHLLO-UHFFFAOYSA-N 270.335 4.540 30 10 CJEE N#CC[C@@H]1CCc2cc(F)ccc2C12CCCCC2 260572493 LOVUMELGDAINSZ-AWEZNQCLSA-N 257.352 4.504 30 10 CJEE C[C@H]1CCCc2ccc(C3(C#N)CCCCC3)cc21 260618654 LXMVJHWGAIQXSZ-AWEZNQCLSA-N 253.389 4.852 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2C[C@@H](C)c3ccccc32)c1 308158829 VWUJSCAKHKVBFO-ACJLOTCBSA-N 262.356 4.527 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccccc2C(F)(F)F)C1 311342175 LAKZJCJYMHPVLZ-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CCC(F)(F)C2)CC1 317392915 YPVOZUOLYMHPKI-WLYUNCDWSA-N 272.379 4.843 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CC[C@@H](CC)C1 319291857 ZPVXUGMYRHYCHD-SJORKVTESA-N 251.458 4.785 30 10 CJEE CCC1CCC(C#N)([C@@H](O)C2CCCCCCC2)CC1 382940047 VFDLTONIOJFZJA-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cccc(Br)c1 394972125 SFOYGJOCIJBCJA-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](NCC2CCC(C#N)CC2)C1 441336742 SXVPQSCOJOHCFK-OPQOLIRYSA-N 276.468 4.511 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@]2(C)CCC[C@@]2(C)O)C1 688341166 FYBWQEYIHBNQSK-DLBZAZTESA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@]12COC[C@@H]1C2 689168288 ZYTMWPIVPCTLRK-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE C[C@@](O)(CC1CCCCC1)C1(C#N)CCCCCCC1 689822953 QZXSOXFHRKGHKU-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE CCc1cc(C)cc(CC)c1NCc1cc(C#N)cs1 690210922 BODGPOFSTWPJLV-UHFFFAOYSA-N 284.428 4.665 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCN(C)C1 690448929 LMHSIZVAAWSKSB-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE CCc1ccc(NC[C@@H](C#N)c2ccccc2)cc1Cl 691227511 CCYAVVOJOKGWCW-OAHLLOKOSA-N 284.790 4.622 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)c1ccc(O)cc1 692222319 TZZFRQKVSSUWOB-OLMNPRSZSA-N 273.420 4.568 30 10 CJEE CC[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1 695742801 FGRUEHUWNSGLAI-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCN[C@H](C)c1ccc(S[C@H](C)CCC#N)cc1 695911187 PZZFPGSTIADAQI-ZIAGYGMSSA-N 276.449 4.532 30 10 CJEE CC(C)C1CCC(C#N)(Cc2csc(C3CC3)n2)CC1 696589124 HYDWRHFPERTMIA-UHFFFAOYSA-N 288.460 4.919 30 10 CJEE Cc1cccnc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 701358208 LHRUDTBITNQNMY-RRFJBIMHSA-N 288.460 4.837 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cccnn1 701765778 CJELLXSQGZVCIB-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1 703995409 FLKLLZPQHSYUKF-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE CCCCCCCCCCC(=O)c1ccsn1 705385418 FXCFHJYHDCZIGY-UHFFFAOYSA-N 253.411 4.857 30 10 CJEE Cc1cc(Cl)cc(N)c1Oc1ccc(C#N)c(Cl)c1 707091569 ZMVOJCZHLOOMSD-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc2c1CCCC2 715702292 BLTDQBKBLTTXRR-DYVFJYSZSA-N 277.477 4.880 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@@H](CCC)CCS1 716824361 RUDWMDJNWGHDIY-KBPBESRZSA-N 270.486 4.597 30 10 CJEE CC1CCC(C#N)(C[C@H](C)COCc2ccccc2)CC1 719625617 ROQFSMHVCJCJNU-HFCFLWKCSA-N 285.431 4.949 30 10 CJEE CCCCCCCCC[C@H](O)c1ccnn1C1CCC1 724483539 AAFWXPGXOJJOTP-KRWDZBQOSA-N 278.440 4.782 30 10 CJEE C=C1CCC(COc2c(Cl)cccc2CNCC)CC1 724556211 LIBZGAQFRFHHIF-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C1CCC(CC(=O)CSc2ccc(C)cc2)CC1 724589862 KKCUTFAFJCSPAJ-UHFFFAOYSA-N 274.429 4.793 30 10 CJEE C=C1CCC(CC(=O)[C@]2(OCC)CCC[C@H](C)C2)CC1 724592614 PPQNHNAJSKXSGE-YJBOKZPZSA-N 278.436 4.677 30 10 CJEE CC(C)[C@H](C)SCc1cc(Cl)ccc1OCC#N 742460659 VPQBUUDWRGIPNT-NSHDSACASA-N 283.824 4.520 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C(C)=C(C)C 789718567 IMTTZOQFHWYCHR-UHFFFAOYSA-N 271.404 4.833 30 10 CJEE C=CCC[C@@H](N[C@H]1CCCc2oc(C)nc21)c1ccccc1 925579254 KPBLLTHJPZWXJO-SJORKVTESA-N 296.414 4.658 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 1183727358 HPKCDINPGFZTNZ-VQTJNVASSA-N 283.459 4.833 30 10 CJEE COc1cc(Nc2ccccc2C#N)c(Cl)cc1Cl 1210739955 QKHGKGDHGGUTIP-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C=CC(C)(C)CCCNC(=O)CCCCC(C)(C)C 1288554118 UONGDEKREMQJSC-UHFFFAOYSA-N 267.457 4.702 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc2cc(C)cn2c1 1298888250 SNBYPFLMKPDXPC-UHFFFAOYSA-N 298.430 4.504 30 10 CJEE C=CCN(C(=O)CC(C)(C)CC(F)(F)F)c1ccccc1 1352311110 DBCPXBUJKKHZDF-UHFFFAOYSA-N 299.336 4.574 30 10 CJEE C=C[C@@H](C(=O)N(CCC)CC1CCCCC1)c1ccccc1 1442087263 GIOOYKDHFMNQDQ-LJQANCHMSA-N 299.458 4.775 30 10 CJEE C=C(C)CCN[C@H](c1cccc2ccccc12)C(F)(F)F 1459930098 MEJBZOCFSOLIEV-MRXNPFEDSA-N 293.332 4.999 30 10 CJEE C=CCC1(CNC(=O)Nc2ccc3occc3c2)CCCC1 1467159450 SGHUIRLYUWZVAP-UHFFFAOYSA-N 298.386 4.691 30 10 CJEE C#CCCCCCCN(C)[C@H](C)c1ccccc1C 1473686688 HFXYJBPJFWYDCI-QGZVFWFLSA-N 257.421 4.572 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2ccccc2)c1 1525564324 JIUCIEDEOVUNJE-IBGZPJMESA-N 279.383 4.894 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(CCCC)cc1 1562050160 JSGUFDPMGSLGCK-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(COc2ccccc2)cc1 1583747282 PEKNMGHXZRSKEW-UHFFFAOYSA-N 295.382 4.560 30 10 CJEE C=CCCC[C@H](C(=O)NCCCC1CCC1)c1ccccc1 1586548723 PCXXHMCKIQZBJG-IBGZPJMESA-N 299.458 4.823 30 10 CJEE C=C[C@@H](OC(=O)CCCc1ccc(F)cc1)c1ccccc1 1617556650 JXHZQFRFOGTSIY-GOSISDBHSA-N 298.357 4.619 30 10 CJEE C=CC1(CC(=O)Nc2ccc3[nH]c(C)cc3c2)CCCCC1 1625504222 XOWBZHBHMRLFRG-UHFFFAOYSA-N 296.414 4.941 30 10 CJEE C=CCCCCCCNC(=O)NCC[C@H]1CCCC1(C)C 1635114105 PVPBYFHRYAQWPH-MRXNPFEDSA-N 294.483 4.639 30 10 CJEE C=C(Br)CN(C)CCCCCCCCC 1644392110 ODQWZMWDVUVEBA-UHFFFAOYSA-N 276.262 4.577 30 10 CJEE C#CCC1(N[C@H](C)c2cc(Cl)ccc2Cl)CCC1 1648399685 LVQFZZNQZZFRLN-LLVKDONJSA-N 282.214 4.590 30 10 CJEE C#CCCCCCCSc1nc(CC)c(C)s1 1652082537 SVZWNIANBHDVFF-UHFFFAOYSA-N 267.463 4.690 30 10 CJEE C=CCN(CCc1ccccc1)Cc1c(C)cccc1Cl 1653272067 YTQRHFORAFMVFP-UHFFFAOYSA-N 299.845 4.879 30 10 CJEE C=CCCCCCN1Cc2ccccc2C(C)(C)C1 1654011483 PKNMJLRCIFTVLH-UHFFFAOYSA-N 257.421 4.526 30 10 CJEE C=CCN(C[C@@H]1CCC2(CCCCCC2)O1)C(C)(C)C 1655094148 SMQPMRLZFWRBDY-INIZCTEOSA-N 279.468 4.545 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1coc(-c2ccccc2)n1 1657665792 VIMKOXQTTSPRLU-CRAIPNDOSA-N 296.414 4.566 30 10 CJEE C=CCC[C@H](CC)N[C@H](CC)Cc1cn(C)c2ccccc12 1659801244 FEBCAARRQAOHSY-ZWKOTPCHSA-N 298.474 4.834 30 10 CJEE C=CCC1(NCc2ccc3nc(C)ccc3c2)CCCC1 1660280948 QRYOAMJBCROQCL-UHFFFAOYSA-N 280.415 4.522 30 10 CJEE C=C1CCC(CNC2CC(c3ccc(F)cc3F)C2)CC1 1660673832 GXFMSHHPMDDNAP-UHFFFAOYSA-N 291.385 4.547 30 10 CJEE C#CCCCCCCN(C)CC12CC3CC(CC(C3)C1)C2 1664103332 LXMVQCNYKZCCRF-UHFFFAOYSA-N 287.491 4.718 30 10 CJEE C=CCn1ncc2ccc(N[C@H](C)[C@H]3CCCC[C@H]3C)cc21 1665790562 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263.469 4.861 30 10 CJEE CCCCCCC(C)=CB1OC(C)(C)C(C)(C)O1 1911612498 BIKHVTSJUUAMPX-UHFFFAOYSA-N 252.207 4.535 30 10 CJEE C#CCCCCC[C@H](NCC)C1CC2(CCCCC2)C1 1912607657 UNSQEKNOQKWIGA-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C2(O)CC3(CCCCC3)C2)C1 1912706861 XKQQTVXLDTZVSV-NVXWUHKLSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H](CC)CCN1 1912749727 IBGOLMKIMAPJFT-IAGOWNOFSA-N 281.484 4.865 30 10 CJEE CCCCCCCCCN(Cc1ccccc1)C[C@H](C)N 1914658589 ZQYPTHQWPDYOME-SFHVURJKSA-N 290.495 4.586 30 10 CJEE C(#CC1CCCCC1)CN[C@@H]1CCC2(CCCCC2)C1 1915902961 RWEURVYZIGEMID-GOSISDBHSA-N 273.464 4.663 30 10 CJEE CCCCCCCC(=O)c1cnc(Cl)c(Cl)c1 1917225241 AWGMYDUKFUCDNX-UHFFFAOYSA-N 274.191 4.932 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(F)cc(Cl)c1 1918510957 OJYSIOBWBFIWIB-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](N)CC#CC1CCCCC1 1924129996 KLHOCQKIHQTIEI-MAUKXSAKSA-N 261.453 4.504 30 10 CJEE C=C1CCC(Nc2nc(Cl)c(Cl)cc2Cl)CC1 1951177318 VVJFLVAVAUIJCZ-UHFFFAOYSA-N 291.609 4.953 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1c(Cl)cccc1Cl 1975907526 CTVTVFGRTFJAEU-TVQRCGJNSA-N 258.192 4.596 30 10 CJEE C=CCCCC[C@H](N)c1cc(C)cc(Br)c1 1984522343 SNHWROVCSQXVLS-AWEZNQCLSA-N 282.225 4.504 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1ccc(Cl)c(Cl)c1 1996711255 ZZPVDHSRIXAXFZ-FZMZJTMJSA-N 270.203 4.610 30 10 CJEE C#CCCC[C@H](NCCC)c1cc(Cl)sc1C 2000364483 HYMCGUHWZVPFMD-ZDUSSCGKSA-N 269.841 4.554 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1sc(C)cc1C 2000383017 UHZCSKUGJONODW-BXUZGUMPSA-N 251.439 4.618 30 10 CJEE CC[C@](C=O)(Cc1ccc(Cl)c(Cl)c1)C(C)C 2012437320 UJQBZGQMIQVTKL-CQSZACIVSA-N 273.203 4.787 30 10 CJEE CCCCN(CCCCCCS)C1CCCC1 2020535993 PXGFMHXDRJQLJM-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE C[C@H]1C[C@@H](C2(C#N)C[C@@H]3CC[C@H](C2)S3)CC[C@H]1C 2029272344 RFNWTQWDHQNFNA-HVZNVFPESA-N 263.450 4.627 30 10 CJEE CCCCCCC[C@@H](N)c1coc(C(F)(F)F)c1 2032849005 QCWLKBQVEGLIFC-LLVKDONJSA-N 263.303 4.659 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc(O)c1Cl 2037040637 UOAVVGRIAAPPMP-CYBMUJFWSA-N 269.816 4.796 30 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WHBWILNLLHSCES-GOEBONIOSA-N 283.481 4.510 30 10 CJEE C=CCCC(C)(C)Nc1ccc2cc(C)ccc2n1 2232281960 STPFXHZAYNNGEG-UHFFFAOYSA-N 254.377 4.700 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC(OC(C)(C)C)C1)NCCC 2232960522 OBFIOMMCBBKUJT-RDHHWEPZSA-N 281.484 4.551 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233637183 TUROZASSBVLELX-JONQDZQNSA-N 286.406 4.945 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc([C@H](C)OC)cc1 2234964779 ZBPSPUIUBRBZBR-YJBOKZPZSA-N 275.436 4.791 30 10 CJEE N#Cc1cc(SCCCCCC2CC2)ccc1[N+](=O)[O-] 2235471226 QQKQEICIVYAZEO-UHFFFAOYSA-N 290.388 4.529 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1COC[C@H]1C 2235543022 YLRWNSHXHNXLOP-KURKYZTESA-N 281.484 4.554 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1(C)CC2(CCC2)C1 2236509206 VIXCZUBKXIQURA-QGZVFWFLSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](C)CNC1CCC1 2239450692 XGURARHQGAKFHI-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](NCC)[C@@H]1C 2239488458 ABAIGBXJSFOMLA-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=C[C@H](CCCCC)OCC1(CNC(C)C)CCCC1 2239493112 PPSNTVOZJKRENR-QGZVFWFLSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCOCc1[nH]c(=N)sc1C 2239493431 SIDGIOKBQMXSBU-UHFFFAOYSA-N 298.496 4.911 30 10 CJEE C=C[C@H](CCCCC)O[C@](CCC)(C(=O)O)C1CCC1 2239499642 BJOAYWLVGCUGCM-WBVHZDCISA-N 282.424 4.562 30 10 CJEE CCCCCCC[C@H](CNC1CCC1)C1CCOCC1 2240126905 OGRKOXRHOCOXTD-QGZVFWFLSA-N 281.484 4.532 30 10 CJEE C=CCCCC[C@H](Cc1ccc(C(C)(C)C)cc1)NC 2240130868 KRIRGOPLQKRBMG-GOSISDBHSA-N 273.464 4.861 30 10 CJEE CC[C@@H](C)NCc1ccc(S[C@@H](C)C(C)C)c(C#N)c1 2240289173 LOPYZJMRCAXHJG-KGLIPLIRSA-N 290.476 4.583 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@@H](C)CC1 2240555874 KTAXHKZPOXIJEU-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(F)cc1OC 2240616981 YIECCXNGZOFUJY-QGZVFWFLSA-N 281.415 4.759 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCO[C@H](C(C)C)C1 2240658300 QSXVBHQIZJYWEC-KSZLIROESA-N 283.500 4.919 30 10 CJEE Cc1ccc2nc([C@@]3(C#N)CCC[C@H](C)C3)ccc2c1 2241099756 LQELXYCWIJGBII-KSSFIOAISA-N 264.372 4.515 30 10 CJEE CC(C)(C)C#CC=CCc1c(Cl)ccc(Cl)c1O 2256683442 KGOLKSPYGKZFAF-UHFFFAOYSA-N 283.198 4.847 30 10 CJEE C=C(C)CCCC[C@H](CC[C@@H]1C[C@@H]1C)NCCC 2259196004 CAKHCMMNTKGWFH-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCS[C@H](C)C1 2259199676 TXHBQZJTQSDULX-PMPSAXMXSA-N 269.498 4.633 30 10 CJEE CCCCCCCCNCC1CC2(CC(C)C2)C1 2259560299 FKFTVEPPFYGMFK-UHFFFAOYSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@@H](CCC(C)C)OCCCN 2262566435 YHZABKVGKQHRHA-INIZCTEOSA-N 257.462 4.517 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1sc(C(F)(F)F)cc1C 2263304909 SJWJPNJKDRWNGP-KWQFWETISA-N 277.355 4.677 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)CCCC23CC3)cc1 2268252080 NOUUETLHCIEXSW-GOSISDBHSA-N 253.389 4.656 30 10 CJEE C=C1CC(CCCCC[C@H]2C[C@@H]2C)(CNC(C)C)C1 2269465447 CZCGVFVJARNYGS-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=CCCCSc1cccc(F)c1[C@@H](C)NCCC 2271587481 WDQBSYVCXKHYOL-CYBMUJFWSA-N 281.440 4.945 30 10 CJEE C=CCCCCCCCSC[C@H]1CCC2(CC2)CN1 2271587763 WFKBLNYEFMXMHX-MRXNPFEDSA-N 281.509 4.778 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc2ccccc2c1 2271784779 HFCOQMXPCYGMAO-SFHVURJKSA-N 253.389 4.976 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C(C)(CC)CC 2273999637 MMQKRILVZWEIOI-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C[C@H]1CC[C@@](C)(C(=O)CC#CC2CCCC2)C1(C)C 2274113448 RQFSSADVLXDUES-KSSFIOAISA-N 260.421 4.602 30 10 CJEE CCCC[C@@](C)(CC#CC1CCCC1)CNC(C)C 2274165654 ZLEANRRVTVCRTA-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@](C)(CC(C)(C)C)OCCCN 2276087114 VIOKVJDNPWQBRR-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=C(C)CCCC[C@@](C)(CC(C)(C)C)OCCCN 2276145301 NODFVKSCEHCTAV-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C[C@H](N(C)CCCCCCCS)C12CCC(CC1)C2 2277501748 JBXJAAUKSYLKQJ-GTPINHCMSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C=C1CCC1 2278177395 HFAZKHHMZCYHBG-KRWDZBQOSA-N 266.425 4.558 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COC[C@@H]1CC 2278243350 FIUSUQDHAPFSTE-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CC)COC 2278247837 PIBKNAACHLUJAU-DLBZAZTESA-N 271.489 4.778 30 10 CJEE Cc1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1C#N 2279013654 MUNBSZRLIISSRD-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCC#CC[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279603047 RJNUZXLJFAWSEJ-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1ccc(Cl)cc1CC 2283892518 OTCPURCIGYFEOE-INIZCTEOSA-N 296.838 4.807 30 10 CJEE CC(C)(C)C#CC=CCNc1ccccc1C1(C)CC1 2284183777 WRDSHFDGLCXUMG-UHFFFAOYSA-N 267.416 4.756 30 10 CJEE CC(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1C 2285123947 KAWOPLAAVZPZDG-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE C=CCCCCCCCSCCC[C@](C)(C#N)NCC 2287093148 BEMKONAHHMCYFL-QGZVFWFLSA-N 296.524 4.918 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)C(CCC)CCC 2287388490 SPHCSOBSZASXID-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](O)(C#CC2CCCCC2)CC1 2289614558 PLIGYKHZBPFROR-MJGOQNOKSA-N 276.464 4.928 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)C1CC(CC(C)(C)C)C1 2289933218 DZWOJKVDMOVNIL-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE C=C1CC(C[C@@](CC)(CCCCC)OCCC(=O)O)C1 2291352124 SKLUPYRCIRMZAT-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(Cc1ccsc1)OCC(=O)O 2291927446 DVONQSILICPYPW-MRXNPFEDSA-N 298.448 4.511 30 10 CJEE C=CCCCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1C 2292803848 ZEECVRHBZOEOAX-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCC1(OCCCN)CCC(C)(C)CC1 2292893493 NNHWTLMPEAJHGK-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCC2(CC2)C1 2293367757 GPRHDILEVNKKCR-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](CC[C@]12CCC[C@@H]1C2)OCCN 2293633264 JTZRJAPLLOHNPE-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C1(F)CC1 2293702257 HDWMGIYUYGEREK-MRXNPFEDSA-N 287.463 4.753 30 10 CJEE C=C(CC)CC1(OCCCN)CC(C)(C)CC(C)(C)C1 2293832951 IQEBAMQHNCMAHA-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=C(C1(OCCCN)CCC(C)(CC)CC1)[Si](C)(C)C 2294338034 YZOKWBJTQUHEBX-UHFFFAOYSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)[C@H]1CCCCNC1 2295520458 RAHSOOHKCRFZQU-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@]1(C)CCCN1C 2295677862 WBRHCBBFZNHXQM-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1C 2301018359 YZRRUWRYIPLKQR-LBPRGKRZSA-N 272.219 4.528 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1ccc(Cl)c(Cl)c1C 2301269063 SSDZZHJPRXODEN-OTYXRUKQSA-N 272.219 4.904 30 10 CJEE Cc1c(Cl)ccc(NC[C@@H](C#N)C(C)C)c1Cl 2301848654 LVSSFSLPCWDILO-SNVBAGLBSA-N 271.191 4.510 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1csc(C(F)F)c1 2304047644 DBWUAPTWUHJOHV-YPMHNXCESA-N 259.365 4.678 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1c(Cl)cc(F)cc1Cl 2304121431 BLDRJDWZBSVORH-LBPRGKRZSA-N 277.166 4.768 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(C)c1Cl 2304131935 IPIJIWDTDLTFCT-CABCVRRESA-N 252.785 4.674 30 10 CJEE C=C[C@](N)(c1cc(F)c(Cl)c(Cl)c1)C(C)(C)C 2307392993 XURGSCYJGUXIOW-ZDUSSCGKSA-N 276.182 4.519 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(C)(F)F 2308968475 GIGFMHXCWGPNAQ-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE CCCCCCCCN[C@H]1C[C@H]2CCC[C@H]1CC2 2317014259 XKSMPHBITRFSDX-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@H](F)[C@@H]1CCCC[C@H]1N 2318803812 NUSNLNONZVAEBG-HRCADAONSA-N 257.437 4.983 30 10 CJEE N#CC1(CCC2(C(F)(F)F)CC2)CCCCCC1 2321589528 JXQHAPIEFHKQEK-UHFFFAOYSA-N 259.315 4.973 30 10 CJEE C=CCC[C@@H](CC[C@@H]1CCC(C)(C)C1)NCCC 2321631566 BBLPSNSUBWFLTI-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1C[C@@H](C(F)(F)F)C1 2327659013 CHQHCRPEROQGEZ-XQQFMLRXSA-N 266.347 4.686 30 10 CJEE CCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@@]2(C)N 2327841504 ZWVRQMFRVQIZLI-QKPAOTATSA-N 255.421 4.593 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1cccc(Cl)c1 2330497435 HGLNGHJELHFPMR-UHFFFAOYSA-N 294.181 4.934 30 10 CJEE C=CCC(CC=C)NC[C@H]1C[C@H]1C1CCCCCC1 2335095561 CJXZAANCNCANPQ-AEFFLSMTSA-N 261.453 4.703 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@@H](C)CC1CC1 2335188855 UTSAEELBCQTYAX-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](C)(OC(C)(C)C(C)C)C(=O)O 2337630213 ZTHQENGTMOKXFY-INIZCTEOSA-N 272.429 4.641 30 10 CJEE CCCCCCCCCC[C@H](O)C#Cc1cccs1 2338248949 MNDVYMVLNZICTI-INIZCTEOSA-N 278.461 4.991 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338727182 ISSSDNHEZXMXIU-DZJNRPSUSA-N 262.437 4.700 30 10 CJEE C#CCCCCCCN[C@@H]1CC(C)(C)CC2(CC2)C1 2338795289 JXWVQUVZVODVHI-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](O)c1c(F)cccc1OCC 2341809296 PDEHDZJFVVHRDX-CQSZACIVSA-N 268.372 4.618 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1C 2341926018 HPGXDAFLJBNYOS-CQSZACIVSA-N 271.326 4.631 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ccc(COC)s1 2342073701 GBDNANNGMFOHBP-OAHLLOKOSA-N 281.465 4.682 30 10 CJEE CC1=CC(=O)[C@H](CCCCC(F)(F)C(F)(F)F)CC1 2342333773 CZNFWORVLZIHNK-SNVBAGLBSA-N 284.268 4.670 30 10 CJEE CC1=C(C)C[C@@H](COc2cc(Cl)cc(C#N)c2)CC1 2343435897 BAPGIOKHDCETMA-ZDUSSCGKSA-N 275.779 4.727 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(C(C)(C)F)n1 2344368850 JFXOPPSRTUTLOJ-YPMHNXCESA-N 284.444 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCc1ccc(Cl)cc1)NC 2344369902 VRENMAFHKIFSKZ-IAGOWNOFSA-N 279.855 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C2(C)CC2)cc1 2344458458 YHTYASNTTXLIAF-IRXDYDNUSA-N 258.405 4.764 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1nc2ccccc2o1 2352084310 SQZUCHKCCSFNJH-OAHLLOKOSA-N 295.473 4.902 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)C[C@H](CC)CCC 2353453069 DCQUGAKKSWOOOK-IKGGRYGDSA-N 271.489 4.642 30 10 CJEE CC(C)C[C@H](CS)COC[C@H]1C[C@H]1C1CCCCC1 2353830074 JCTATVVZINSBKX-UAGQMJEPSA-N 284.509 4.812 30 10 CJEE CC(C)C[C@H](CS)COC[C@H]1C[C@@H]1C1CCCCC1 2353830075 JCTATVVZINSBKX-USXIJHARSA-N 284.509 4.812 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1N[C@@H]2CC[C@H]1C2 2355605536 HMGLTYBSCDPFIO-JZXOWHBKSA-N 279.468 4.617 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)NC2CCCCCC2)cc1 20175433 MQGFRYDXCHXPIE-GOSISDBHSA-N 284.447 4.861 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C)c2ccccc2Cl)c1 51579975 NQWDKONXKRUWFD-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C[C@H]1CCC[C@@]2(CS/C(=N\c3ccccc3Cl)N2)C1 53099254 SMSOFLDPWREIBJ-NHYWBVRUSA-N 294.851 4.613 30 10 CJEE CC(C)(C)c1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 54823236 FHKNMWVLSAOQJI-PBHICJAKSA-N 270.420 4.868 30 10 CJEE C=CCNc1ncnc2scc(-c3ccc(C)cc3C)c12 62048789 PSSIRFGGBWDLES-UHFFFAOYSA-N 295.411 4.573 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1ccc(F)cc1Cl 71390609 BFZKRNZXLWTVIV-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCCOc1ccc(-c2cc(CC#N)c(CCC)o2)cc1 77081545 WUCGMRIVMNWRCL-UHFFFAOYSA-N 283.371 4.754 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)CC2)cc1 86949122 ZLJIZHQQTPPRNR-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE Cc1ccc(C#N)c(Nc2c(C)cccc2Cl)c1 90537834 JOYHJAXIOYWSMU-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE SCC1(CSc2nc3ccccc3o2)CCCCC1 94589226 RHSFQINAUAJBSF-UHFFFAOYSA-N 293.457 4.800 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1cc(C)ccc1C 104732822 AVIXSUFPETVFKE-VBKFSLOCSA-N 279.383 4.810 30 10 CJEE CCCCCCCCCn1nc(C)c([C@H](N)CC)c1C 108042216 NMERZETYXRPXBV-MRXNPFEDSA-N 279.472 4.660 30 10 CJEE CCCCCCCCOC[C@H](O)c1cc2ccccc2o1 110023295 VSSMVCGYRLCUFD-INIZCTEOSA-N 290.403 4.843 30 10 CJEE CCCCCCCCCCN(C)C1(CN)CCCCC1 110106485 YKOHTSZOBARJKL-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCN(CC)C1 110164096 PXFSJUSVORBVEU-LJQANCHMSA-N 296.543 4.839 30 10 CJEE Cc1cc(Cl)ccc1Nc1cc(Cl)ccc1C#N 110253539 KELVBTHIGKWULR-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1ccc(C#N)c(Oc2c(C)cc(Cl)cc2C)c1 110260286 PKGUMKVPLPUQLT-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCC1(C)CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265598 PFKJFOJDNSXDTL-IXDOHACOSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@@H]1C(C)C 114061576 RMOUADHDDKBGLX-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](CS[C@H](C)CC)NCC 114866677 AYSDOQCVOVXVBL-CABCVRRESA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C)ccc1OC 115062882 QEPACSVYBIQDQW-MRXNPFEDSA-N 263.425 4.754 30 10 CJEE CCCCCCCN1C[C@](C)(C2CC2)NCC1(CC)CC 115248370 CCYWBFQAPHYTKY-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](CCCOC)NCC 115746901 BUAYGALWJYUIML-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)N1CCCC1 118142813 ONDWFGIEAPHSIS-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(C)(C)N1CCCC1 118144438 LBRHMKXEPZRKKX-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@](C)(CC)N(C)C 118154313 NJSDIODTNXXNEG-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(N(C)C)CCC[C@H](C)C1 118184129 FIRUVAXVMNJZEA-OKZBNKHCSA-N 283.500 4.608 30 10 CJEE CCCCCCCCn1ccc([C@@H](NC)C(C)C)c1 118246669 OYPXMMYKJGCVHI-KRWDZBQOSA-N 264.457 4.765 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C)c(Cl)c1 122398375 OIIPSCMUTOGRBZ-INIZCTEOSA-N 282.859 4.903 30 10 CJEE CCC[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 126280182 RTZUGGXHLBUPHJ-MRXNPFEDSA-N 268.335 4.651 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](OCC)C(C)C 128333984 ZHGSKHMTJYMESX-IRXDYDNUSA-N 271.489 4.906 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(COC)o1 132895086 BVVIEMOUAPDMMC-OAHLLOKOSA-N 267.413 4.567 30 10 CJEE N#C[C@H](Sc1ccccc1Cl)C1CCCC1 167878045 CBYXPFKKYNJXPA-ZDUSSCGKSA-N 251.782 4.514 30 10 CJEE Cc1c(Br)cccc1C(=O)C1=CCCCCC1 203658006 AJYUKWZIHHNPAH-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CC(C)c1ccccc1N/C=C\C(=O)c1ccccc1 206336477 FAGUELRKPSYQCG-SEYXRHQNSA-N 265.356 4.619 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCC[C@H]2C(C)C)c1 214739202 XLCNUJLSWHXYNL-DLBZAZTESA-N 256.393 4.516 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(CC/C(C)=N\O)cc2)C1 217223877 FCPMRCBATWVWHD-GRXRTFJCSA-N 289.419 4.817 30 10 CJEE CCCCCCCC(=O)C[C@H]1CNc2ccccc21 226706709 YQWIOLHWOSUYQT-AWEZNQCLSA-N 259.393 4.515 30 10 CJEE C=C(C)C[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 227526638 TXCANJMSSVSDTD-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](N)c2cc(F)ccc2O1 229047077 RJJYDZMVKZXOSP-WBVHZDCISA-N 279.399 4.727 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc(Br)s1 232487241 PWUKDYOBZSRFJC-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(C)c(Cl)c2)CC1 232909222 JJGZHTCTSOFSOF-PWZRNIHTSA-N 291.822 4.792 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)NC)c(F)c1 232938759 BVFXTHBIMQBILG-CQSZACIVSA-N 281.415 4.845 30 10 CJEE C=CCCCCC[C@H](CCc1ccccc1C)NC 234448161 CNFAYHOXGFYYKT-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCSc1ccccc1NCc1cc(F)cc(F)c1 236283774 LGBVBNTXICLCMS-UHFFFAOYSA-N 291.366 4.855 30 10 CJEE CCCC[C@H](CC)COc1ccccc1C(CC)=NO 252430339 JEVSWMAZZIADDM-AWEZNQCLSA-N 277.408 4.870 30 10 CJEE CCC(=NO)c1ccccc1O[C@@H]1CCCC[C@H]1CC 252461505 IEJAZZFSJCAEPK-CZUORRHYSA-N 275.392 4.623 30 10 CJEE N#C[C@@]1(Cc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@H]1C2 252817298 KZYRNDUSBBPJJI-KCQAQPDRSA-N 279.305 4.578 30 10 CJEE N#Cc1cc(Br)cc(-c2ccccc2Cl)c1 309194937 SAQNBGNTSLBGGB-UHFFFAOYSA-N 292.563 4.641 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2cccc(Cl)c2Cl)O1 310910861 QSUUVMLNSOXSTI-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE CCCCCCCC[C@]1(C=O)CCc2ccccc21 316680968 XBKFJSRJOQSCJV-GOSISDBHSA-N 258.405 4.820 30 10 CJEE CCCC1CCC(C=O)(CCCOCC(F)(F)F)CC1 317293855 VXDOBJXIPIINMG-UHFFFAOYSA-N 294.357 4.521 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCC3(CCCCC3)O2)C1 317317042 VQEULWULASBCKC-IKGGRYGDSA-N 278.436 4.654 30 10 CJEE C=C[C@@](C)(CCC1CCCCC1)CNC(C)(C)C 385390971 GVLFCXJRLCQQIR-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE C=C([C@@H](NCC)c1ccc(Cl)c(Cl)c1)C(F)(F)F 385658268 XLKAUVGHOKFSPH-LLVKDONJSA-N 298.135 4.763 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2cc(Cl)cc(Cl)c2)O1 393842713 ACXXAOBWTVZDID-STQMWFEESA-N 270.159 4.517 30 10 CJEE C=C(C)C[C@H](NCCC)c1csc2c1CCCC2 399906253 VGJJOZYYJPXHBR-HNNXBMFYSA-N 263.450 4.634 30 10 CJEE CC(C)/N=C(\Cc1ccccc1)N(C(C)C)[Si](C)(C)C 585666983 OTTHCQQVOLYYJG-ISLYRVAYSA-N 290.527 4.581 30 10 CJEE C#CCCCCC[C@H](CCC1CCCC1)NCCC 686695719 OHYFEEJFTQRUNX-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCCCC(=O)c1cc(C)nn1C 686795670 FFQRLIPKCVDCEE-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE CC[C@@H](CC(F)F)C[C@@](C)(C#N)c1ccccc1 688760450 OOFLJSIECLRSOK-WFASDCNBSA-N 251.320 4.539 30 10 CJEE Cc1c(Cl)cc(NCc2ccc(C#N)s2)cc1Cl 690249969 RVVOJEVQWKTUES-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCc1ccc(NC[C@@H](C#N)C(C)(C)C)cc1Cl 691195407 BZTRJUDIINPEHA-GFCCVEGCSA-N 264.800 4.500 30 10 CJEE CCCC[C@@](CC)(C[C@@H](C#N)C1CCCCC1)C(=O)O 691688530 LTVIIPDQOMNWFV-RDJZCZTQSA-N 279.424 4.768 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 692227174 NCILANMXDSCBJQ-BLLLJJGKSA-N 274.795 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCC(C)(C)C 692256064 WMXZXICVXYFBJU-OAGGEKHMSA-N 251.458 4.926 30 10 CJEE C[C@H](CC(C)(C)C#N)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 695872161 NVHCFTPLYAMKHD-VWPFQQQWSA-N 263.425 4.546 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc4ncsc4c3)C[C@@H](C1)C2 697334205 SIYHNLVWTYQWNH-NNQSOWQGSA-N 284.428 4.843 30 10 CJEE CCc1cc(OCc2ccc(C)c(C#N)c2)ccc1Cl 701879985 IKOLBTIHFIVTBE-UHFFFAOYSA-N 285.774 4.662 30 10 CJEE C#C[C@H](N[C@@H](c1cccs1)C1CCCC1)C(C)(C)C 702291283 SSZIEQUWAXHRDT-JKSUJKDBSA-N 275.461 4.617 30 10 CJEE C[C@H](CCS)CCN1CCC[C@@H](C2CCCCC2)C1 708236895 WNAHUGXPFSJGDF-DOTOQJQBSA-N 283.525 4.625 30 10 CJEE C[C@H](N(C)CCCCC(C)(C)C#N)[C@]12CCCC[C@H]1C2 709084460 WIFUTHPUFHPXLY-XYJFISCASA-N 276.468 4.607 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCc2ccccc2C1 710636366 XMHGYYPINWIBEG-SFHVURJKSA-N 291.866 4.550 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNCC(C)C 710642178 RFGXRRQPYFJYEA-ARFHVFGLSA-N 271.876 4.817 30 10 CJEE CCCCCCCCOCc1cnc(CNCCC)s1 711361296 KQAKVGBNFKIAGS-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE Cc1cccc(F)c1N=C1NC2(CCCCCC2)CS1 713202373 JFYZFIIZSONEMU-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CCC[C@@H](/N=C1/NC2(CCCCCC2)CS1)C1CCC1 713262290 IPLFNVUSSHUHLM-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE C#CCCCCC[C@@H](NC)c1cscc1C(F)(F)F 717194196 RSZJEMGSVKMAIG-CYBMUJFWSA-N 289.366 4.611 30 10 CJEE C[C@H]1CC([C@H](C#N)Sc2ccccc2)C[C@H](C)C1 719359254 AVVYBTUJZKYXHS-IOASZLSFSA-N 259.418 4.743 30 10 CJEE C=C1CCC(C[C@H](Cc2ccc(C)cc2)NCC)CC1 724553976 QBZNEIVFLMENTH-LJQANCHMSA-N 271.448 4.652 30 10 CJEE CCOc1ccc(C=Nc2ccc(N(CC)CC)cc2)cc1 1084496101 FUCUBUNGYWIHOQ-UHFFFAOYSA-N 296.414 4.682 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)c1cccc(F)c1)c1ccccc1 1130934448 NEQQRRRHGQELEP-KDOFPFPSSA-N 298.357 4.790 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)C=CCCC2 1131086712 LKOZNEOUWFZGJM-SFHVURJKSA-N 269.388 4.577 30 10 CJEE C#Cc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1 1180129322 OJCHPRSAKPKHKM-IBGZPJMESA-N 295.813 4.658 30 10 CJEE C=CC(C)(C)CCCNCCCc1c(F)cccc1Cl 1183674222 VUZDXNZMGFMQNI-UHFFFAOYSA-N 297.845 4.994 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](CCC)[C@@H]3CC3(C)C)cc21 1207696006 IAQMLLFEQLVODM-IRXDYDNUSA-N 297.446 4.849 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1F 1288101155 FTUIIMLRSZKDBC-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=CCCCCCN(C)C(=O)C1CC2(CCCCC2)C1 1354055063 SMZVPXKHDODJRC-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1OC1CCCC1 1355806246 KOJQGIHOSWHQAP-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc(CC)c(C)c1)c1ccccc1 1435582724 UYLQKZYRUQHYIB-KRWDZBQOSA-N 293.410 4.856 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 1438921919 PCKHEJPAUSUJTB-BDEQVGPYSA-N 297.442 4.947 30 10 CJEE C=C(CC)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 1442972946 COIJCLQZCMJAOZ-UHFFFAOYSA-N 299.801 4.589 30 10 CJEE C=C(CC)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 1459733195 FJSDKMMBSKYHDY-GOSISDBHSA-N 268.404 4.661 30 10 CJEE C=CCCCC[C@H](C)NC[C@H](C)Oc1ccc(Cl)cc1 1462087278 BNGPZXOPMPCPBU-GJZGRUSLSA-N 295.854 4.832 30 10 CJEE C=CCCCCCSC1CCC(C(=O)OCC)CC1 1473033554 SGAMLXRZKFWFFP-UHFFFAOYSA-N 284.465 4.588 30 10 CJEE C=CCC1(C(=O)N[C@@H](CCC)CCCC)CCCCC1 1514797496 GYNJKBBFJMEQAQ-INIZCTEOSA-N 279.468 4.988 30 10 CJEE C=CCC1(C(=O)OCc2ccc(C)cc2)CCCCC1 1522268806 OQMGKDVQCQXTRX-UHFFFAOYSA-N 272.388 4.565 30 10 CJEE C=C(C)CCC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 1522548965 VVXJHLPIYGERHX-MRXNPFEDSA-N 285.431 4.733 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(CCCCC)cc1 1523026654 DMLGSRZFLNALJZ-UHFFFAOYSA-N 273.420 4.960 30 10 CJEE C=CC1(CC(=O)OCc2ccc(C)cc2C)CCCCC1 1529347418 SNQVCJBCSMAAFI-UHFFFAOYSA-N 286.415 4.873 30 10 CJEE C=C1CCC(C(=O)N[C@](C)(CCC)c2ccccc2)CC1 1537771376 ISOMXJCCVLDTOU-LJQANCHMSA-N 285.431 4.565 30 10 CJEE C=CCC(CC=C)C(=O)N(CCC)CC1CCCCC1 1542240274 BKWGNPLZIJKAOP-UHFFFAOYSA-N 277.452 4.574 30 10 CJEE CCCCCCCCN1CCCC[C@H](SC)C1 1559663961 SLARBNWTHFJFAS-HNNXBMFYSA-N 257.487 4.564 30 10 CJEE C=CC[C@@H](C)N[C@@H](Cc1ccccc1)c1sccc1C 1559736328 IIXJMZFHPHYNDQ-WBVHZDCISA-N 285.456 4.895 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CC)Cc1ccccc1 1621510791 ILIUHNBCAAGYCH-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CCC[C@H](Nc1ncnc2sccc12)c1ccccc1 1639670330 GNXYJORXJQEWRM-HNNXBMFYSA-N 295.411 4.811 30 10 CJEE CCCCCCCCCN(C)Cc1ncc(C)s1 1644394438 CIZOMMZPJNRXGK-UHFFFAOYSA-N 268.470 4.634 30 10 CJEE C=CCCCN(CC)Cc1ccc(Cl)cc1Cl 1648544671 XIFCQAMXWJQPLW-UHFFFAOYSA-N 272.219 4.782 30 10 CJEE C=C(C)COc1cccc(NCc2ccc3[nH]ccc3c2)c1 1650715702 SXOUJWZZIZQZTJ-UHFFFAOYSA-N 292.382 4.735 30 10 CJEE C=CC[C@@H](C)Sc1ncc(C(C)C)n1C(C)C 1652670626 CCAIZYFFJJOXIR-GFCCVEGCSA-N 252.427 4.644 30 10 CJEE C=CCCCN(Cc1ccccc1)Cc1ccccc1C 1653235216 HYQXVRVOUJWLNX-UHFFFAOYSA-N 279.427 4.963 30 10 CJEE C=CCN(CCCc1ccccc1Cl)C(C)(C)C 1655094291 UUPHHMDFNTVKFS-UHFFFAOYSA-N 265.828 4.559 30 10 CJEE C=CCCCCCSc1nc2ccccc2nc1C 1656211332 HHAROQLDSSJMRB-UHFFFAOYSA-N 272.417 4.777 30 10 CJEE C=C(C)CCSc1ccc(OC)c(Br)c1 1656881737 GTKMHNDDUWFKQK-UHFFFAOYSA-N 287.222 4.516 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)S[C@H](C)C1 1657463476 PRHCURWQDOAMBK-HZPDHXFCSA-N 271.514 4.953 30 10 CJEE C#CCN(CC)Cc1cccc(Oc2ccc(Cl)cc2)c1 1657483408 KNFDBDAVWMJPRH-UHFFFAOYSA-N 299.801 4.587 30 10 CJEE C=CCC[C@@H](NC(C)C)c1ccc(C(F)(F)F)cc1 1657621169 JRIJFVMZYKEORK-CQSZACIVSA-N 271.326 4.711 30 10 CJEE C=CCC(C)(C)CNC[C@@H](C)c1cccc(Cl)c1 1659868513 MJDJDECIENIHGD-CYBMUJFWSA-N 265.828 4.635 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)c1cccc(C2CC2)c1 1659878348 UAFXOKIJZTVMID-RDTXWAMCSA-N 257.421 4.959 30 10 CJEE C#CC[C@H](NCc1cccc(Cl)c1C)c1ccccc1 1661967004 JBUHBPVIZKXXMW-SFHVURJKSA-N 283.802 4.503 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc(CC)c1 1662648550 YXHRAJGIEYJHRA-FQEVSTJZSA-N 279.427 4.526 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1772545195 NRRPNWFOCFYJPI-UHFFFAOYSA-N 294.398 4.750 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1cc(F)ccc1Cl 1883570119 NDNXIWFUGYBYMG-GASCZTMLSA-N 279.786 4.552 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1 1887489474 NSRKYBQJYAWNNA-XYJFISCASA-N 263.469 4.621 30 10 CJEE 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271.379 4.658 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)[C@@H]1CCCC(C)(C)C1 2280477497 CPZVXYBRVOFRLQ-QWHCGFSZSA-N 274.383 4.714 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H]1CCC1(C)C)NC 2280963686 MZKSHQIAGJUDLO-IKGGRYGDSA-N 283.500 4.512 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCC(C)(C)C2)cc1 2283543863 QXWFMINZPAFDME-IBGZPJMESA-N 272.432 4.967 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCCCC1(F)F 2284074031 XFBYTVYKTICVCY-AWEZNQCLSA-N 282.374 4.767 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(OC2CCC2)cc1 2284100860 KXZZDQHUJVVQDQ-UHFFFAOYSA-N 268.400 4.766 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1(C)CCC(C)(C)CC1 2284102012 ZTXGNCHRXGRQKH-MRXNPFEDSA-N 275.480 4.916 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@]1(C)COC 2284687635 AAEYELVXXGQCEY-OKZBNKHCSA-N 283.500 4.778 30 10 CJEE CO[C@@H]1C[C@](C#N)(CCCCC[C@@H]2C[C@@H]2C)C12CCC2 2284943849 AGRBOPSZEXVRCE-HZMVEIRTSA-N 275.436 4.692 30 10 CJEE O=C[C@]1(C[C@@H]2CCC[C@@H]2C(F)F)CCCCC12CCC2 2285545875 LFWXXRJRMVUWCT-GRDNDAEWSA-N 284.390 4.988 30 10 CJEE 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30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C1(C)CCCCC1 2290927630 ZIJXVUAZYXXYPU-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@@](C)(OCCC(=O)O)C(C)(C)CC 2291420106 RPRINFBXAFLQHC-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCC[C@](C)(OCCC(=O)O)C1CCC1 2292430130 VHABJTRYNONFNR-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCC=C1C 2292647956 SZOHENNTIUELAL-SFHVURJKSA-N 279.468 4.747 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)c1csc(C)c1 2292904160 WCICCRJLCGYCDD-KRWDZBQOSA-N 295.492 4.774 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC(C)(C)C[C@@H]1C 2293407859 MBMKZHCVFLWWCC-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CCC1(C)C)OCCN 2293890572 QBNMODYRJRHDNI-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CC#CCCC[C@H](CCCCCCCC)OCCCN 2294081086 RCRDSJVWNFGEGA-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@H](F)C1)OCCN 2294252953 WWZIXIACHKPBLS-YESZJQIVSA-N 287.463 4.609 30 10 CJEE C=CC1(C[C@H](OCCCN)c2scc(C)c2C)CCC1 2294556403 KPCXKWNQBHSANO-HNNXBMFYSA-N 293.476 4.518 30 10 CJEE C=CCCC(C)(C)CN=c1ccc2cccc(Cl)c2[nH]1 2295001197 JUOUNLAPIMMNPM-UHFFFAOYSA-N 288.822 4.714 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@H](C(=O)O)C(C)C 2295534212 PDHHLOUICNHZHA-HOTGVXAUSA-N 285.472 4.557 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccncc1F 2295679695 RTPWEDNPYGJPLT-HNNXBMFYSA-N 280.431 4.840 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CO[C@H](C)C1 2295682140 NAVUVWFWBWIVSH-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(N(C)C)CCC1 2295687333 SPTCHRGKDUDZHR-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(C[C@@H](C)CC)NC 2295712175 VEEZCZFFGLTZPY-YESZJQIVSA-N 298.540 4.854 30 10 CJEE CCCOc1ccc(C)cc1C(=O)C=Cc1ccccc1 2295968024 UVIVWDZUNPGDCR-UHFFFAOYSA-N 280.367 4.680 30 10 CJEE CCCCCCCCCCCCN[C@H](CN)[C@@H](C)CC 2296241090 KENUHGSLEOINSC-ZWKOTPCHSA-N 284.532 4.870 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)c(C)cc1[N+](=O)[O-] 2298888177 GJAITNTUNYJPTO-SECBINFHSA-N 271.769 4.613 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)c(Cl)c1 2304041402 NQQDFLJVKAADGI-UONOGXRCSA-N 272.219 4.986 30 10 CJEE C=C(C)C[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2304904955 LKGIXWUYZNXHDW-ZDUSSCGKSA-N 296.252 4.649 30 10 CJEE C=C1C[C@@H]1C[C@H](NC)c1c(Cl)cc(C)cc1Cl 2307613444 LMORBNBBXUBKOI-MFKMUULPSA-N 270.203 4.529 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)cc1SC 2319569467 ZTENVMRNMKDOQU-CZUORRHYSA-N 263.450 4.580 30 10 CJEE C=C([C@H](NC)c1cccc(C(C)C)c1)[Si](C)(C)C 2320527357 KMPKEKFCRQUXHG-INIZCTEOSA-N 261.485 4.504 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CCC[C@H]1C 2321132170 XBHSWNHMVMUTPA-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE CCC#CC[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2327880258 UJKGSJBORXNGKN-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC1 2331317882 UBUBPBNODLLCDZ-QJPTWQEYSA-N 274.326 4.527 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2333961131 XZPRNTZLSAXTKF-MCEUPANISA-N 263.469 4.760 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@H](NCC)C[C@H]2CCCCC[C@@H]12 2335194755 RNXIJRPFNRAZCA-UTSKFRMZSA-N 281.509 4.631 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1cc(F)cc(Cl)c1 2335204138 RGYFZUXQSKDSSM-HNNXBMFYSA-N 299.842 4.733 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(F)ccc1C(F)F 2338276971 OKTYTERGTSGERR-CYBMUJFWSA-N 291.744 4.947 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCCC 2341930284 JHEPOCXLCALBOU-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=CC(C)(C)CCNCCCCC(F)(F)C(F)(F)F 2342343017 NFNBUWIGDWUQLX-UHFFFAOYSA-N 287.316 4.546 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CC[C@@H]1C(C)(C)C 2343232788 DFHPSEXMUUJYQP-JYJNAYRXSA-N 268.489 4.641 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1nc(C)cc2sccc12 2344343331 OEHXHJRVWCDNBP-HOTGVXAUSA-N 274.433 4.597 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(C)cc1)NCC 2344344750 UBOHUFHGHHGSSG-ZWKOTPCHSA-N 259.437 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(C2(C)CC2)c1 2344345870 OZISDVPSSGATPM-IRXDYDNUSA-N 257.421 4.730 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)ccc1OC 2344347388 BBWKHGNONVBBFZ-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccccc1C1CCC1 2344458747 BFROIMCEYORNCN-MSOLQXFVSA-N 258.405 4.980 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1[C@@]1(C#N)CCCCC1(C)C 2344803939 TUMCWWYYJCYFBS-UXLLHSPISA-N 263.425 4.690 30 10 CJEE C=C1CC([C@H](NCCC)C23CC(CC(C)C)(C2)C3)C1 2344823553 UNPAZEFSEPWOIS-AOCRQIFASA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C#N)c(SC)c1 2353825980 SXBCXLFKFZCUNW-IUODEOHRSA-N 275.417 4.628 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1C[C@H]1C1CCCCC1 2357744254 LVCZKPUBVJTLOZ-GVDBMIGSSA-N 288.822 4.860 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@H](NCCC)c1ccc(F)cc1 2360206890 CXAXNEZVKHYPRP-ZQIUZPCESA-N 295.467 4.953 30 10 CJEE Cc1cccc(N[C@@]2(C#N)C[C@@H](C)CC(C)(C)C2)c1 37936662 UPZCNJSSAZYSNP-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2ccc3c(c2)CCC3)cc1 57684949 XICBKHKEEGMDQF-LJQANCHMSA-N 291.394 4.560 30 10 CJEE N#C[C@]1(Cc2csc3ccccc23)CCc2ccccc21 87998095 LDUOFJSQSGIFKJ-LJQANCHMSA-N 289.403 4.852 30 10 CJEE CC[C@H](C)[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91878449 FRWHKWZYPZJBJY-SMOLVSOFSA-N 265.441 4.530 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)CC2(CS)CCCCCC2)C1 94580316 YIAIPVTVLXJPAM-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CC(C)(C)[C@H](CS)COc1cc(Cl)ccc1Cl 94582519 GCSSKNMATINMRU-VIFPVBQESA-N 293.259 4.964 30 10 CJEE C=C(CC)C[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 97208659 PNAIEOCMARQVTF-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H]1CCCc2sccc21 97219705 KMNBRROKAMVLRA-GDBMZVCRSA-N 277.477 4.893 30 10 CJEE CCc1ccc(C(C)(C)C)cc1C[C@H](C)CS 107525918 UIFZBFZNQRMHRJ-LBPRGKRZSA-N 250.451 4.655 30 10 CJEE C=CC[C@H](C)c1ccc(OCCC)c(OCCC)c1 107569950 HTFRHFDNGCWLAM-AWEZNQCLSA-N 262.393 4.944 30 10 CJEE C=CC(=O)c1c(Cl)c(Cl)cc(Cl)c1Cl 107711073 BOUBXLXWJPEXHE-UHFFFAOYSA-N 269.942 4.669 30 10 CJEE CCCCCCCCOCc1cc(CNCCC)oc1C 110171195 QPODPVNLRDKQTL-UHFFFAOYSA-N 295.467 4.965 30 10 CJEE N#Cc1ccc(Nc2ccccc2Cl)cc1Cl 110253012 LVLJRVSUTUNEDH-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)cc1F 110258385 PHGSRSJCJNNSLE-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCCOc1nc2c(cc1C#N)CCCC2 110262002 YPCVUNKDXJZPHJ-UHFFFAOYSA-N 286.419 4.571 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2CC[C@@H]1C2 111613906 PMTUTZLBRSRRLX-BBWFWOEESA-N 251.458 4.763 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NCC1(C)C 114067597 CRQDVDXVNGAURZ-IBGZPJMESA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCSC[C@@H](C)C(=O)O 114142254 BVSZUSBPRLFOKT-CYBMUJFWSA-N 260.443 4.581 30 10 CJEE CCCCCCCCOCc1cc(NCCC)ccn1 118598061 BLQALXRHAWCYKQ-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2coc3ccccc23)CC1 124298165 MVJSEIGRPDODBB-VXVMZULRSA-N 283.371 4.576 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](CCC)OC 126663203 SNFZGULXJKBSQY-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCCCC[C@@H](C[C@H]1CCOC1)NN 130589839 MPRWKNVUJFWVQP-MSOLQXFVSA-N 298.515 4.556 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(C(F)F)cc2)c1 131481007 BWEILUXBXADAEP-HNNXBMFYSA-N 272.298 4.609 30 10 CJEE Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)s1)C(C)C 134932341 DRLVVWRQRBRYCP-KSSFIOAISA-N 298.455 4.976 30 10 CJEE Cc1ccc(-c2cnc(C#Cc3ccc(C)s3)s2)cc1 150136203 LXBBIYPLGDALHC-UHFFFAOYSA-N 295.432 4.888 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 156227522 LVBWRPWNQXFPCV-PMPSAXMXSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@@H](O)C1(OC)CCCCCC1 158379382 VBGJXOAMPASOTF-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE C[C@H]1CC(OCc2ccc(C#N)cc2Cl)C[C@H](C)C1 162992719 CIGRJXKTVIDONE-VXGBXAGGSA-N 277.795 4.553 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 232512687 CLCBXUHAXMEYPO-DAYGRLMNSA-N 276.468 4.511 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@H]1CNC(C)(C)C 232950800 UBRGEOXMETXXIT-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@H](NCC)c1c(C)oc(C)c1C 233542687 GHWXXYIPAMIYJT-INIZCTEOSA-N 263.425 4.992 30 10 CJEE O=C(C=C1CCCCC1)Cc1csc2ccccc12 236389462 MSGVQKNCNZPSLB-UHFFFAOYSA-N 270.397 4.903 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@H](C)C2)CC1 252544362 ICJOGRRXKFNZEY-XWTMOSNGSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1[C@H]2CCCC[C@H]21 252898051 FFKHJNCLXHNGBH-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H](CC)CC(C)C 308066149 LEWPSIPTLFZZGN-HOTGVXAUSA-N 256.478 4.641 30 10 CJEE C=CC[C@@H]1CC[C@H]2[C@H](CCC[C@H]2C)N1C(=O)OC(C)(C)C 309595272 WSKQKIUMMYRGCD-FPCVCCKLSA-N 293.451 4.767 30 10 CJEE CC[C@H]1CCC[C@@H](n2ccc3c(C#N)cccc32)C1 311268249 SLLOUILJALODPD-DZGCQCFKSA-N 252.361 4.654 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)C[C@H]2CC[C@H]1O2 318291524 MDXYFFCYAGNUIG-KURKYZTESA-N 281.484 4.674 30 10 CJEE CO[C@H](CC1(C#N)CCC(C)(C)CC1)c1ccccc1 381040616 OHVXHMFZMSLEGJ-MRXNPFEDSA-N 271.404 4.874 30 10 CJEE CO[C@](C)(C[C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 384928259 PXCWMVCJWMEDLN-JQHSSLGASA-N 271.404 4.658 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1cccc(Cl)c1Cl 387135364 IARKSWXPHHXTLP-GFCCVEGCSA-N 286.246 4.726 30 10 CJEE CC1CCC([C@@]2(C#N)CCCc3ccccc32)CC1 388713579 VHOSVPIZGWOFIM-PVARCSIZSA-N 253.389 4.611 30 10 CJEE N#CCc1cc2cc(OCc3ccccc3)ccc2s1 396132700 LQDUPFHVQFMWAP-UHFFFAOYSA-N 279.364 4.546 30 10 CJEE CN(Cc1ccc(Cl)s1)C[C@@H](C#N)C1CCCCC1 397358409 QAQYBYOEEQKPQD-CYBMUJFWSA-N 296.867 4.553 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@](C)(O)[C@@H]2CC2(C)C)CC1 397870719 ZYYQVQFVAAAQKT-KJUJZPGYSA-N 277.452 4.530 30 10 CJEE CC(C)[C@@H](C)CN(C)CCCCCCCCCS 399613755 ILENABHSOFAJAO-INIZCTEOSA-N 273.530 4.871 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](C#N)Nc1ccc(Cl)cc1 401752335 OEWSDMMLHUFCLG-DAXOMENPSA-N 276.811 4.860 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccoc1Cl 686687424 QGFUEFRRCZFQCT-AWEZNQCLSA-N 267.800 4.557 30 10 CJEE Cc1cc(NC[C@@H](C#N)c2ccccc2)cc(C)c1Cl 690301736 QCAFHKSARQVDBB-OAHLLOKOSA-N 284.790 4.676 30 10 CJEE CCc1ccc(Nc2cc(C)c(C#N)c(C)n2)cc1Cl 691235776 ZURWTJMYVQYTRW-UHFFFAOYSA-N 285.778 4.530 30 10 CJEE C=CCCCCCCNc1ncc(Cl)cc1C 695224287 UNDBASPRXLNMCS-UHFFFAOYSA-N 252.789 4.592 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(F)cncc1F 699030140 GPNXCENKVSBWGL-CQSZACIVSA-N 271.351 4.534 30 10 CJEE CCCc1ccccc1Oc1ccc(C#N)cc1C 699500217 NVKBDJXCVQBELK-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE C=C1C[C@H]2CC(Nc3c(F)ccc(C)c3F)C[C@@H](C1)C2 700424057 VNYINKFVIGBYQT-PBWFPOADSA-N 277.358 4.820 30 10 CJEE C=CCCC(C)(C)CNc1ccc(Br)c(C)n1 707764582 AMZGDSSTBQKWGI-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)c1cccc(Cl)c1C#N 709246865 YVSDIIUFNOUXSD-SWLSCSKDSA-N 276.811 4.617 30 10 CJEE CCCCCCCCOCc1cnc(CNC(C)C)s1 711276358 MYAIVCPCBYWXKM-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE CCCCCCCC[C@H](NCCC)c1csnc1OC 712856476 UXFUXEWUCSAIEW-HNNXBMFYSA-N 298.496 4.943 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)[C@H](N)C(C)C 713028723 FUFCQDCXZPHHSP-DLBZAZTESA-N 285.516 4.888 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 715734571 URYPVTYKPDTPGE-NOZJJQNGSA-N 291.744 4.832 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)CC=C(C)C 719586125 YECKSWNBPKEJSR-SJORKVTESA-N 269.473 4.562 30 10 CJEE CCCCCCC[C@H](NCCC)C1C[C@H](C)O[C@@H](C)C1 724266268 UXGSAPXQGJQAEX-BQFCYCMXSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](Cc2cc(C)ccc2C)NC)CC1 724620466 ZENUTDXDBSRXSJ-IBGZPJMESA-N 271.448 4.570 30 10 CJEE CC(CCC1CC1)=NNc1ccc(C#N)cc1C(F)(F)F 799491049 AGNWLUZGEURHFO-UHFFFAOYSA-N 295.308 4.555 30 10 CJEE C=C(C)CCC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 1129012214 HATPWXJEBRKMHE-MRXNPFEDSA-N 291.822 4.750 30 10 CJEE C=CCCC[C@H](NC1CC2(CO[C@H](C)C2)C1)c1ccccc1 1183550593 JQMOFCNDAHKRIA-OTBHMBEGSA-N 299.458 4.631 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1OCc2ccccc21 1184336535 AGPSUYCXCVGHNF-YJBOKZPZSA-N 275.436 4.597 30 10 CJEE C=C(C)CCN1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 1196991093 DEZZTHCTIRRMQH-MRXNPFEDSA-N 297.364 4.983 30 10 CJEE C=CCCC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCC1 1203113511 MXWDGTHJNVWPGE-OALUTQOASA-N 283.459 4.906 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(OC)c2cccnc12 1205441930 DJXJZUNDDKKYSN-AWEZNQCLSA-N 284.403 4.790 30 10 CJEE C=CCCCCCCCN1CCC[C@@H]1c1ccncc1 1209438994 FDDSWOSMKRKTQI-GOSISDBHSA-N 272.436 4.745 30 10 CJEE C=CC[C@H](CC)NC(=O)N[C@H](C)c1cccc2ccccc12 1246323733 UAUSDDXYWKXAQF-ZBFHGGJFSA-N 296.414 4.555 30 10 CJEE C=C(CC(C)C)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 1292426789 KDIUKVPHTNGWNX-IBGZPJMESA-N 297.442 4.657 30 10 CJEE CC(C)(C)C1CCC(COc2cccc(F)c2C#N)CC1 1307319306 DMNCCOOPCZUORV-UHFFFAOYSA-N 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30 10 CJEE C=C1CC(C[C@H](NCC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225313007 YIKIEENXAOMQAS-IDCNUPLLSA-N 261.453 4.537 30 10 CJEE N#C[C@]1(CC2C[C@@H]3CCC[C@H](C2)C3(F)F)CCCS1 2225356476 BCOGNSBFKVDRQW-WTUNAVPPSA-N 285.403 4.627 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 2226321851 LAMKANHIIYXEIR-ZACQAIPSSA-N 263.469 4.619 30 10 CJEE C=CCCCCCCCNCc1csc(CCC)n1 2227270219 DELIXYSDMPNWDS-UHFFFAOYSA-N 280.481 4.712 30 10 CJEE C[C@H](CCS)CCN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1 2229813201 LEOISXDEQHSKBI-HRCADAONSA-N 285.541 4.869 30 10 CJEE C1C[C@@H](CC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]2O[C@H]2C1 2230646440 DPUVHSGXXPPBKC-WJWMFLMHSA-N 262.437 4.941 30 10 CJEE CCCCCCCCCO[C@H](CNC1CC1)C(C)C 2230986900 AHIXVJSMVZOHAB-QGZVFWFLSA-N 269.473 4.530 30 10 CJEE C=C[C@@H](CCCCC)Oc1nc(Cl)ncc1C1CC1 2231043374 YOAFPJLJGADVPE-LBPRGKRZSA-N 280.799 4.521 30 10 CJEE CCCCCCCOc1sccc1CN[C@@H](C)CC 2231475289 AGQCUIZUOLLUBZ-AWEZNQCLSA-N 283.481 4.985 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2231898325 GHRSHFZAPJUQES-MULDDASSSA-N 263.469 4.747 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](OC)C1CCC1 2231928193 IZQSVXGCNFJKGP-WBVHZDCISA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CCC)NCCC 2231933123 QYQXJELNGSMWLC-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@@H](C)NCC1CC2(CSC2)C1 2231947388 YEBNAMSDALFKKX-OAHLLOKOSA-N 283.525 4.858 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc2ccoc12 2232397088 XCRNSKCPEVWNOJ-CJNGLKHVSA-N 257.377 4.686 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](CCCCC)c1ccccc1 2234704099 WQNWVYUKDQRRJG-MOPGFXCFSA-N 271.448 4.946 30 10 CJEE C=CCCCCCCCOc1cc(F)ccc1[C@H](C)O 2235533799 CVALTWSOHIVEAW-AWEZNQCLSA-N 280.383 4.784 30 10 CJEE C=C(C)CCOC[C@H](NCCC)c1cc(F)cc(Cl)c1 2237997415 MTXBPNAFJFUXQW-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@@H](F)C1CCCCC1 2238372486 KXOKLEXXHNGIRA-MRXNPFEDSA-N 282.447 4.557 30 10 CJEE CCCCCCCCOCCC(F)(F)CN[C@H](C)CC 2238946012 RJDSVPHJOGAWGI-OAHLLOKOSA-N 293.442 4.777 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NC)C1CCCCCC1 2239501618 ROOYZAXYRQDFEG-ROUUACIJSA-N 281.484 4.696 30 10 CJEE CC(C)(C1CCCCC1)[C@H](O)C#Cc1ccc(Cl)cc1 2239561617 JCDUERDLAVCGBX-QGZVFWFLSA-N 290.834 4.659 30 10 CJEE C=C(C)CN(CC)c1ccc(CN[C@H](C)CC)c(Cl)c1 2240015865 BYMLZSZXAOJJLK-CQSZACIVSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@H](N)c2ccccc2O1 2240561518 XMGHDVRXCMZMOI-SJLPKXTDSA-N 275.436 4.978 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1COCCC1(F)F 2240617363 DNCUDTSOPFXEQB-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCN1C(C)(C)C 2240640758 TZBMPILKZSADSN-IAGOWNOFSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@H](C)NCc1cccc(C#N)c1 2240641517 BMKSVMYXIWTUIL-INIZCTEOSA-N 272.436 4.787 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](C)c1ccccn1 2240652962 AOQBFWYQSSUENR-SJORKVTESA-N 276.468 4.914 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC12CC(OCC)C2 2240654632 TZDOSTPMEDYWDE-NALMEZQBSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)[C@H]1CCCC[C@@H]1C 2240666639 OOJHCZMADYNSAW-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE C=CCCCCCCCCn1nc(Cl)nc1Cl 2246697622 YOUVHNRQJADVIK-UHFFFAOYSA-N 276.211 4.502 30 10 CJEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(C#N)cc1 2255385350 DLVXGIGFJZVWIS-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(Cl)ccc1F 2259197334 XFGXJJOXEJBJGV-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 2260240860 QJTYIOPEOPTHCH-UWVGGRQHSA-N 290.209 4.995 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H](C)CCC 2262559187 PGXWVQVUCIDCSC-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE N#CC1(c2ccc(F)c(Cl)c2)CCCCCCC1 2263178050 MZCBLVBGHGVXGX-UHFFFAOYSA-N 265.759 4.985 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(CCC)cc2)CC1 2268214597 NKMAOEYTDUEPLC-GOSISDBHSA-N 257.421 4.775 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2C[C@@]2(C)COC)CC1 2269235025 XBMKWOIDBOOXPS-YZUHTNEWSA-N 263.425 4.549 30 10 CJEE C=C(C)CCCCC(=O)c1cc(C(C)(C)C)ccn1 2271749930 ILKOBALKLOIKMA-UHFFFAOYSA-N 259.393 4.698 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cnc(CC)s1 2271842546 XKCGECJQEFCGQN-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2ccc(C#N)cc2)C1 2274486746 ZKMYHKSJDKSQOA-HNNXBMFYSA-N 256.393 4.575 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCCC)OCC(=O)O 2275500498 HASDZHXRDUQUKB-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@H](C=C(C)C)OCCCN 2276445104 GYTZOVLXOKYADS-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H](C)C(C)(C)C 2277360948 LXMZLRZQKUFTJM-HZPDHXFCSA-N 271.489 4.763 30 10 CJEE C=CCC[C@@H](NCC)c1ccc2cccc(Cl)c2n1 2277646013 BATXHEPEFKOIMU-CQSZACIVSA-N 274.795 4.505 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@H](C(C)(C)C)O1 2278127011 KGRSFIKWQOOKHK-WBVHZDCISA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@H](C)C(C)C 2278178562 PKDJBXAQMYGDSN-NVXWUHKLSA-N 270.457 4.739 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC(C)(C)O1 2278238855 UGUQYJBURZIQQD-JKSUJKDBSA-N 269.473 4.673 30 10 CJEE O[C@@H](CC#CC1CCCCC1)C[C@@H]1CCCCC12CC2 2279604793 CHMSBDNVBRHHRH-ROUUACIJSA-N 274.448 4.682 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C[C@@H]1CCC1(C)C 2280961509 YPZBDBAWEGAPNS-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(F)ccc2Cl)CC1 2283354858 YNWLSMUNMSKJLW-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C1(C)CC=CC1 2284087843 GZJMGGWKYDGLJR-KRWDZBQOSA-N 273.464 4.707 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@]12CCCC[C@H]1C2 2284157609 GLZSNICQPOKIQC-YQVWRLOYSA-N 273.464 4.541 30 10 CJEE C=C1C[C@H]2CC(NCCc3ccccc3Cl)C[C@@H](C1)C2 2285025913 MJSVUUMVQOXPKY-FKEKPDDDSA-N 289.850 4.607 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cnc(OCC)s1 2287385620 OXFVJASQGZSOOM-AWEZNQCLSA-N 296.480 4.719 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](O)(CC)C(C)(C)C 2287391304 ZSTRYFWLFNTEGP-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE CC(C)CCC[C@H](C)CCN(C)c1ccccc1C#N 2287965159 LXYZGRRSOIBBGE-INIZCTEOSA-N 272.436 4.847 30 10 CJEE CC1(C)CCC2(CCCN2CC#CC2CCCC2)CC1 2289859690 NJMYKIJTLQWWBQ-UHFFFAOYSA-N 273.464 4.615 30 10 CJEE C[C@H]1C[C@](C#N)(CC2CC(CC(C)(C)C)C2)C[C@@H](C)O1 2290110043 MLDLZGQXKXEDQB-OVZGVZAJSA-N 277.452 4.936 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H]1CCC1(C)C 2290902666 JESQAQSJUQKSJW-YOEHRIQHSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CCCC1(C)C 2291309025 QYQCFNZYYFAFQU-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](C#CC(C)(C)C)OCCN 2292609276 QROSNBVJYIQPAX-QGZVFWFLSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)C=CC[C@H](C)C1 2292652530 KWBKQKPUJGSUQL-ROUUACIJSA-N 279.468 4.603 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)C(C)(C)C1CCCC1 2292787035 KAAMHROWIDNPOQ-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CC12CCCC2 2293413304 KGJBAOBQVRJUNF-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1cc(C)co1 2293501639 KPEYRGPJOHNWPM-MRXNPFEDSA-N 281.440 4.745 30 10 CJEE CCCCCCC[C@]1(OCCN)C[C@@H](C)CC(C)(C)C1 2293667521 PUFQECDYYCYSAH-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@H]2CCC[C@H]21 2294567255 FGYPCTGJKDWKGK-KURKYZTESA-N 281.484 4.661 30 10 CJEE CC1(C)CC(=O)N(CCCCCCCS)CC(C)(C)C1 2294702266 CREKCBGPGZDJAT-UHFFFAOYSA-N 299.524 4.542 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)CN(C)C(C)C 2295690564 CWUYKKOZEDKOEG-QZTJIDSGSA-N 284.532 4.834 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H](CO)C1 2295692401 WEMJEVPRJBGNAY-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE CCCCCCCN[C@H](C)COc1c(C)cccc1C 2295739574 PBXYKQQHWAEFLX-QGZVFWFLSA-N 277.452 4.631 30 10 CJEE C=CCC(CC=C)Nc1c(C)cc(Br)cc1C 2301010218 PKTZXZLOWRPXHV-UHFFFAOYSA-N 294.236 4.999 30 10 CJEE C=CCCCCCCCCSCCC1(O)CC1 2303581892 DYCPHFFBWUXXCF-UHFFFAOYSA-N 256.455 4.551 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]12C[C@H](C)[C@@H]1C2 2308834077 AHPWCPABQYKNBR-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE C=CCCCCCC[C@H](CCC[C@H]1C[C@@H]1C)NC 2318944471 QLIZPIRGGAVGQL-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@H](CC(C)(C)CC(F)(F)F)NCCC 2319289297 RHRNDBBWDLSSSS-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CC(C)(C)[C@H]1C 2319877957 JLNNLHPZHASHFK-HOTGVXAUSA-N 251.458 4.879 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](CC1CC1)C1CC1 2320519742 APZLKAVECDGKBB-RHSMWYFYSA-N 251.458 4.904 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc2sccc2c1 2321146263 XCFGTWYGYNSLSC-JKSUJKDBSA-N 259.418 4.894 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H]1CC[C@@H]2CC[C@H]1C2 2327117145 ZUBLGNDDWHLQOX-RZLSGREXSA-N 270.482 4.564 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2329185634 CGOFFHFGEIYOML-YJNKXOJESA-N 273.411 4.746 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 2332224397 BKFAELATVFVVLE-YYWYGQEZSA-N 263.469 4.761 30 10 CJEE C=CCCCCCCN[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2334218017 KDOWGEZBTWYGJC-ICUGJSFKSA-N 261.453 4.537 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2334615390 FUZJKTWRQQQSBY-LCGIIJARSA-N 260.421 4.764 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCCCCC2)CC[C@H]1N 2335103497 MKJUVPRZPYQMAH-XHSDSOJGSA-N 281.509 4.905 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@@H](C)N)cc1Cl 2335103589 NYLUIZBSJCQKIM-GFCCVEGCSA-N 295.879 4.843 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]21 2338738482 MYIZHTHJNUOZAH-FJIDUMEYSA-N 261.453 4.559 30 10 CJEE C#Cc1ccccc1N[C@H](C)[C@H]1CCCC(C)(C)C1 2339966883 YGCZNGZIZMCXFU-ZBFHGGJFSA-N 255.405 4.685 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CC[C@H]2C(C)(C)C)C1 2343385193 SQRXDFIAQLFQRJ-HZPDHXFCSA-N 263.469 4.785 30 10 CJEE N#Cc1cc(Cl)ccc1O[C@H]1CCC2(CCCC2)C1 2343548089 YGDDXOLEDNZQBN-AWEZNQCLSA-N 275.779 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@]12CCCC[C@@H]1CC2)NC 2344359175 XODMQUMCVRCBHW-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@]1(C)CCCC1(F)F)NC 2344370960 GSTKVAHNBDUVIT-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1[C@H]2CCC[C@H]21)NCCC 2344375003 LMHPKADVMGZDNJ-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344789302 LGYAIDUEERQJRS-CHWSQXEVSA-N 276.342 4.895 30 10 CJEE Cc1ccc(COC[C@@](C)(CS)C(C)(C)C)cc1C 2352107047 KQWMPJKMFDJBKZ-KRWDZBQOSA-N 280.477 4.802 30 10 CJEE C=CC[C@H](C)[C@H](O)CC1CCC(CC(F)(F)F)CC1 2353171420 GFUIGZHYFHAMCO-GFJIZPEISA-N 278.358 4.708 30 10 CJEE C=C(C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1)OC 2357718018 DNNVXWOPGOVQSU-RCCFBDPRSA-N 279.468 4.511 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@H]1CC[C@@H]2C[C@H]12 2358323824 YSSJREUNRIOMEV-VSZNYVQBSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1OC[C@@H]2CCCC[C@H]12 2358461519 MRCNUAXQXLMTMZ-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)Sc1c(CNCC(C)C)ccc(F)c1F 2360375557 PDGFZEKZCQLRKS-LBPRGKRZSA-N 299.430 4.767 30 10 CJEE C(=N/c1cccc(-c2nc3ccccc3o2)c1)\c1ccco1 6603281 YABKGKWCSWBUHK-XDHOZWIPSA-N 288.306 4.838 30 10 CJEE CC[C@@H](Nc1ccccc1C#N)c1ccc(Cl)cc1 21043030 DRTKOVDULZBQNG-OAHLLOKOSA-N 270.763 4.775 30 10 CJEE C=CCOc1ccccc1CN[C@@H](C)CCCCCC 34991498 DSSGSDDXTDLXAY-INIZCTEOSA-N 275.436 4.700 30 10 CJEE CC(C)CS[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37156408 IBPXRZKPXWKCLO-ZACQAIPSSA-N 273.445 4.852 30 10 CJEE C=CCn1c(-c2ccccc2)nc2cc(Cl)ccc21 43255776 KSJLNVKIUZRNSR-UHFFFAOYSA-N 268.747 4.543 30 10 CJEE N#CC1([C@]2(O)CCCC[C@@H]2C2CCCCC2)CCCC1 91876059 ORZRLBCLSAMGOH-AEFFLSMTSA-N 275.436 4.572 30 10 CJEE CC(C)CCN(C[C@H](C#N)c1ccccc1)C1CCCC1 94848778 XNNXCNNFLBDFBY-SFHVURJKSA-N 284.447 4.584 30 10 CJEE CC(C)CCN(CC[C@@H](C)CCS)C1CCCC1 94853850 RTEDRIGKEUJRAR-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE CCCCC[C@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633824 TULRFLLLDGKLAJ-SFHVURJKSA-N 294.394 4.772 30 10 CJEE CCCCCCCCCc1nc(C)c(CCC(=O)O)s1 104654844 RVVXSVRFLIRSEL-UHFFFAOYSA-N 297.464 4.762 30 10 CJEE CCCCCCCCCNC(=O)c1ccccc1OCC 106107445 TYBDRHPLELCBFE-UHFFFAOYSA-N 291.435 4.566 30 10 CJEE CCCCCCC[C@@H](Cc1csc(C)n1)NCCC 108175204 NQKCXOGNNGVOKW-HNNXBMFYSA-N 282.497 4.723 30 10 CJEE CCCCCCCCCCN(CCC)C(C)(C)CN 110107660 GCHKAWAWCWDHMQ-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 110255606 FMDPYRQYQKGMRN-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](CCC)C1 114054577 ADFIQUNMYCHSME-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1Cc2ccccc21 114384547 PWPMIMGAWPQDFP-ZWKOTPCHSA-N 259.437 4.665 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OC)c(C)c1 114874853 IXHDHTUPHZGANH-INIZCTEOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCN1C[C@H](C)NC[C@@H]1C1CCCCC1 115219792 RSRBHCNYJWACSN-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@]1(C)CCCCO1 122023734 OPBLAQKHWODCNN-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@H](NC)C1(OC)CCC1 123979385 MJLJNLKGWRJVQL-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](CCc1ccccc1)NN 125746177 KMKFBFHDOQIUHI-GOSISDBHSA-N 276.468 4.592 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1CCN 128954564 RPZKLXSPHYGXMN-UHFFFAOYSA-N 283.843 4.581 30 10 CJEE CCCCCCCCCCN[C@@H]1COc2cc(O)ccc21 129237064 HTBJUMNWVABJML-QGZVFWFLSA-N 291.435 4.556 30 10 CJEE N#Cc1cc(F)c(Nc2ccc(Cl)cc2Cl)c(F)c1 133932849 AOQILCTYFLWULX-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCC[C@](C)(F)C[C@@H]1CCCCN1 157401600 DLKYAVQTWYNLEY-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)cc2F)CCCCCCC1 165703861 OIKUHVQZOATZPF-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(Cl)c(C)c1 167727959 PVXSPBYNOUCPSB-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCCCN[C@H](C)c1ccccc1O 226314608 ZEDVLDQQQILDII-OAHLLOKOSA-N 263.425 4.793 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H]1CCCO1 229275371 ZCVJGFZMWMYQRY-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@@H](CC1CC(OCC)C1)NC 232178462 DZWHSTDDCVBPKK-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE Cc1ccc(NCC2(CC(C)C)CCCC2)c(C#N)c1 232581288 UODUVQVNWWTACL-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CCCCCCCCCCNc1snc(N)c1C 232932125 GRWVFBISKOHGEG-UHFFFAOYSA-N 269.458 4.586 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cncc(C)c1 233124884 XCZJCBYOFSWFHX-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@H]1C(C)C 250799748 CFUKXRJBKYUYBZ-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1C[C@H](C2CC2)NC[C@]1(C)CC 250800589 CNWRLYUHNDWPKT-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCN(C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252433505 CIOPFDLDZDVBMM-XYJFISCASA-N 290.495 4.996 30 10 CJEE CC(C)(C)n1cnc2cc(N=Cc3cccs3)ccc21 254815351 PZMLOZAKTQEKAG-UHFFFAOYSA-N 283.400 4.603 30 10 CJEE CCn1cc([C@@H](C)CC#N)c2c(C(F)(F)F)cccc21 259900494 BEEQSKDHBWZUEN-JTQLQIEISA-N 280.293 4.697 30 10 CJEE CC(C)c1ccc(Nc2nc(Cl)c(C#N)s2)cc1 310994555 HFQURIBZVDQMAF-UHFFFAOYSA-N 277.780 4.535 30 10 CJEE CCCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NC 311834131 MDXAZFJDLDPUOH-CVEARBPZSA-N 269.473 4.530 30 10 CJEE N#CC[C@H](C(=O)C1CCCCCCC1)c1ccccc1 312171129 SDOKTVLXQQCZDY-KRWDZBQOSA-N 269.388 4.613 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 316542471 CAEUJOQXBNUCOJ-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)Sc1ccccc1Br 319664278 GAMULWJEQSXLSE-MFKMUULPSA-N 298.249 4.725 30 10 CJEE Cc1cc(C#N)cc(Sc2ccc(Cl)cc2Cl)n1 322908765 IGZHVRJDERTMMF-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE C=CCCCCCCN[C@H](C)CCCC(F)(F)F 385022968 DFUTVMVBVGTUPK-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cccc(C)c1Cl 387522758 AGSAEYYEXMDOLH-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE CCCCCCCCCCN[C@H](C)C(F)(F)F 389482474 WYUAZLCAOWCQCX-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CC1CCC(C[C@]2(C#N)CCc3ccccc32)CC1 394019215 HWXBMGGWKVQLAB-JMLCCBQJSA-N 253.389 4.611 30 10 CJEE CCCCCCC[C@@H](CCOC(C)C)NCCC 395368082 JFSZMBNMRHBYQC-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CCC[C@H]1CCCN1CC(CS)(CCC)CCC 396962761 BJDYQVNTUBNONO-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CCCCCC(C)(C)CNC[C@@H](C#N)C1CCCCC1 397129634 PTZSLUIGLZETTQ-QGZVFWFLSA-N 278.484 4.903 30 10 CJEE C[C@@H](C1CC1)N(Cc1ccccc1)C[C@@H](C#N)C1CCCC1 397451130 KCWYWMLJCKRXFU-OXJNMPFZSA-N 296.458 4.617 30 10 CJEE C=C(C)CONC1CCCCCCCCCCC1 400858306 KQWUXDOQKRDIQP-UHFFFAOYSA-N 253.430 4.757 30 10 CJEE CCCCCCC[C@H](NCCC)C1CCC(OC)CC1 686355138 YNHUOQUGHMBHLN-ABHNRTSZSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H](CC)CC(C)C 686696332 ZRJIDXZYYFPVNL-IAGOWNOFSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H](CC)CC(C)C 686696333 ZRJIDXZYYFPVNL-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCSC1 689480358 SQHRSFDTKNITKH-OAHLLOKOSA-N 258.471 4.775 30 10 CJEE C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 691038551 NXPSPSRYERFDJK-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)C[C@H](C)CC 692254337 ODQVHVCEHZIIQD-NCOADZHNSA-N 251.458 4.926 30 10 CJEE C[C@@H]1CCC[C@H](N(C)c2ccc(C#N)c(Cl)c2)CC1 697551762 SZWBQBSBURBCLO-OCCSQVGLSA-N 276.811 4.617 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@@H]1CCCC(C)(C)CC1 697845091 SONCYHGFWDPHRK-MRXNPFEDSA-N 278.484 4.997 30 10 CJEE C#C[C@H](N[C@@H](C)c1sc2ccccc2c1C)C(C)(C)C 702254723 DUKAQZBYVVJLGY-BBRMVZONSA-N 285.456 4.908 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(Br)o1 703732682 DUZOKMBCFJVXHH-LLVKDONJSA-N 288.229 4.663 30 10 CJEE C[C@@H](COc1ccc(C#N)cc1Cl)CC(C)(C)C 709236989 QIGXFPSPPURRHA-LLVKDONJSA-N 265.784 4.663 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C(C)C 709344518 NGXINPDPYCYTII-ZJPYXAASSA-N 263.469 4.926 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2cc(C)c(C)cc21 709412328 MMSFXVDVZDOYQS-UHFFFAOYSA-N 288.460 4.934 30 10 CJEE CCCCCCCCCCCCNCC1(COC)CC1 709506083 SQXXETHSRWKCIJ-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCOC[C@@H](NC)c1ccccc1Cl 709516966 OIGIHFTZFPXWIC-MRXNPFEDSA-N 283.843 4.588 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)C 710619473 VEMOBGRLWNMBCH-RBSFLKMASA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCCC[C@H]1C 710622922 ROQIPEOQTQSSIC-UKRRQHHQSA-N 257.849 4.571 30 10 CJEE CC[C@@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 711149125 SVPQSLZRMPTKAP-ZFWWWQNUSA-N 291.822 4.979 30 10 CJEE CC[C@H](/N=C1/NC2(CCCCCC2)CS1)C1CCCC1 713276684 RSBKDFOJMJDEOB-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE N#CCc1cc(Cl)c(OC(F)(F)F)c2ccsc12 725287004 WUSQJOORGOGXGA-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE CCc1c(SC(F)(F)F)cc2ccsc2c1C#N 725292232 STAVZXJRKLPHJN-UHFFFAOYSA-N 287.331 4.947 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](CC)c1nccs1 793532584 HDWRBQRHIDEOND-ZIAGYGMSSA-N 266.454 4.709 30 10 CJEE Clc1ccc(N=C2CCN(Cc3ccccc3)CC2)cc1 1088675154 UZXWFRSOPURBAT-UHFFFAOYSA-N 298.817 4.709 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 1124768620 OQICZMDDWJICIQ-MRXNPFEDSA-N 297.442 4.560 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1ccsc1)c1ccccc1 1125623550 XNZSSXVEYFYFEL-UHFFFAOYSA-N 299.439 4.884 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccccc1 1130934544 PTCNRWBDFCUXJT-ULQDDVLXSA-N 284.399 4.695 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 1131602424 LEBTWVOFLJXQEU-WBVHZDCISA-N 287.447 4.535 30 10 CJEE C=CCC1(C(=O)N2Cc3ccccc3[C@@H]2CC)CCCC1 1134850005 FLPZYJZPDVQGHT-KRWDZBQOSA-N 283.415 4.616 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(Nc2ccccc2)cc1 1136132210 DNOHUIDIDXHKGJ-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1C[C@H]1c1cccc(OC)c1 1182369411 MNNXSYVKPOWJTH-LNLFQRSKSA-N 287.447 4.523 30 10 CJEE C=CCC1(CNCc2sccc2Cl)CCCC1 1202380689 GRAUVNRLJXBZEC-UHFFFAOYSA-N 269.841 4.628 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](CC)c1ccc(C)c(F)c1 1266902749 VTNKZRZABXRPIB-HNNXBMFYSA-N 278.367 4.731 30 10 CJEE C=CCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 1294954213 NKHZXRQIBKIJFQ-CLHDZIPGSA-N 297.442 4.827 30 10 CJEE C=CCCCCCN(C)Cc1ccc(OC)c(Cl)c1 1307485098 CNQDXMSAXJVMSV-UHFFFAOYSA-N 281.827 4.527 30 10 CJEE C=CCC1(NC/C=C/c2ccc(F)c(F)c2)CCCCC1 1308404423 WOVJCTKSQNGEDK-VOTSOKGWSA-N 291.385 4.847 30 10 CJEE C=CCC1(C(=O)Nc2ccc3ccccc3c2)CCCC1 1349018930 RTQMCDFVGWZKRF-UHFFFAOYSA-N 279.383 4.915 30 10 CJEE C=CCOc1cccc(NC(=O)C[C@@H](C)CC(C)(C)C)c1 1355574181 GOKUORHHYKFJMF-CQSZACIVSA-N 289.419 4.652 30 10 CJEE C=C(C)C(C)(C)C(=O)Oc1ccc2cc(C)ccc2c1 1439447199 XPALIWCXUUJHLZ-UHFFFAOYSA-N 268.356 4.656 30 10 CJEE C=CC[C@H]1N(Cc2cc(C)nc(Cl)c2)CCCC1(C)C 1460033177 QUBPECCQOLLOIB-OAHLLOKOSA-N 292.854 4.610 30 10 CJEE C=CCCCN(CC)C(=O)/C(C)=C\C1CCC(C)CC1 1463242208 YAWYEERTMVFNIY-PEZBUJJGSA-N 277.452 4.574 30 10 CJEE C=CC[C@H]1N(CCC2=CCCCC2)CCCC1(C)C 1473431506 GJTVGYUTQDWKFP-QGZVFWFLSA-N 261.453 4.944 30 10 CJEE C=C1CCC(CN[C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1474702107 OJGBGSZKVFTNQE-CDHQVMDDSA-N 299.458 4.523 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)CCCCCC 1537213217 HNCHYQBIXQYGBI-IAGOWNOFSA-N 279.468 4.940 30 10 CJEE C=CC[C@@H]1N(C(=O)CCSCCCC)CCCC1(C)C 1542578241 FMSKSWYEJCDVKZ-HNNXBMFYSA-N 297.508 4.503 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1csc(C)c1C 1560503009 XHVGZLLRHUYBSE-SFHVURJKSA-N 285.456 4.642 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1C[C@@H]1c1ccccc1 1560683472 ZMYJGYRVYGQMIR-RTBURBONSA-N 295.401 4.617 30 10 CJEE Cc1ccccc1C#Cc1cc(Cl)ccc1Cl 1614827126 MDSOTUZTIKPDND-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CCCCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 1641842122 ILHFRPIMIUOJCY-IRXDYDNUSA-N 257.421 4.529 30 10 CJEE C#C[C@H](C)N(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1645453178 FSFMLUWWNMPKGY-AWEZNQCLSA-N 299.801 4.586 30 10 CJEE C=CCCCN(CCc1ccccc1)CCC(C)(C)C 1655433197 HJRMPBPYQJSDNV-UHFFFAOYSA-N 273.464 4.934 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(C)oc2ccccc12 1658533205 IFVSWIAXBYQVGW-QAPCUYQASA-N 283.415 4.966 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O 1659138581 JFQFYIJKURFZGW-CABCVRRESA-N 291.435 4.576 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@@H]1CCC(F)(F)C1 1660868487 ZBXRPLYSFAGAFW-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1OCC 1664995946 COBVKCLDIZHLPE-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CC)Cc1cccs1 1665595877 WAOHYSYLKXJFQU-AWEZNQCLSA-N 265.466 4.651 30 10 CJEE C[C@@H]1C[C@H]1CCC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1876928541 KZGPTBRZKWGROE-FOGDFJRCSA-N 296.197 4.606 30 10 CJEE C[C@H](OC(C)(C)C)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 1876959132 JLTFSWLYNQPFSB-GXTWGEPZSA-N 266.425 4.532 30 10 CJEE CC#CCCC[C@H](CCCc1cccs1)NCCC 1879643777 JYOYPOBNTZFMPR-MRXNPFEDSA-N 277.477 4.633 30 10 CJEE Cc1cccc(N=C2N[C@]3(CC[C@@H](C)C3)CS2)c1Cl 1880885019 GMLQCIWZIXPJKM-BMIGLBTASA-N 294.851 4.531 30 10 CJEE CC#CCCCC[C@H](NC)C1(C)CCC(C)(C)CC1 1885244152 HPQYMXYVTQATLE-INIZCTEOSA-N 263.469 4.765 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@@]1(C)CC[C@H](C)C1(C)C 1888681735 HYOILESFGJYYQZ-QANKJYHBSA-N 258.405 4.523 30 10 CJEE CC(C)(C)[C@@](C)(CS)CS[C@@H]1C[C@@H]2C[C@@H]2C1 1904860736 XPOGEBSDQDGHQM-SFTQSGBHSA-N 258.496 4.500 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCC=Cc2ccccc2)C1 1912010985 GMSDYTKOOIIFLN-WMZOPIPTSA-N 256.389 4.875 30 10 CJEE CCCCc1ccc(Oc2ncc(C#N)cc2Cl)cc1 1917260632 LCHNLSGTJUYEHX-UHFFFAOYSA-N 286.762 4.742 30 10 CJEE CCCC1CCC(C#N)([C@](O)(CC)C2CCCC2)CC1 1921035363 ZQHPLGVDDJCSRP-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE C=C([C@@H](CCCc1cccs1)NCCC)[Si](C)(C)C 1922868680 KECNLCZRNBZFGM-MRXNPFEDSA-N 295.568 4.873 30 10 CJEE C=C([C@H](NCC)[C@H]1CCCc2sccc21)[Si](C)(C)C 1922870890 WDSYWHHBLSIMEI-HOCLYGCPSA-N 293.552 4.580 30 10 CJEE CN[C@H](CC#CC1CCCCC1)[C@@H](C)C1CCCCC1 1924087020 QWDMWUXLNPOBBE-QFBILLFUSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCNC12CC2 1925752361 UAVJGMUKBKUKQQ-GOSISDBHSA-N 281.484 4.554 30 10 CJEE CC1(C)CC[C@@H](N=C2N[C@H](CC3CCCCC3)CS2)C1 1926708787 OUZFSKHZZJLEFI-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@H]1C(F)(F)F 1966309695 KGPOOFFXGLOSHU-BARDWOONSA-N 289.385 4.690 30 10 CJEE C[C@@H](CC(C)(C)C#N)N[C@H]1CCCC2(CCCCC2)C1 1973863396 LKVWIKMPLSFGSW-HOTGVXAUSA-N 276.468 4.797 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(Br)ccc1C 1975914993 ZFLIPAQNRZNHPW-NSHDSACASA-N 281.193 4.543 30 10 CJEE C=CCC[C@@H](C)n1c(S)nc2cccc(Cl)c21 2002053797 VRAMTONVPJIFQU-SECBINFHSA-N 266.797 4.506 30 10 CJEE N#C[C@]1(Cc2ccsc2Cl)CCCCC12CC2 2005581261 XBGXCSKQMDHXKW-CQSZACIVSA-N 265.809 4.808 30 10 CJEE C=CC1CC(NCc2c(Cl)ccc(Cl)c2Cl)C1 2011162039 CVLNGFDWGCOPDO-UHFFFAOYSA-N 290.621 4.701 30 10 CJEE CC[C@@](C#N)(Cc1cc(Br)ccc1F)C(C)C 2012407571 CELKDMUDTBUNQH-AWEZNQCLSA-N 298.199 4.707 30 10 CJEE Cc1c(Cl)cc(N[C@H](CC#N)C(F)(F)F)cc1Cl 2026848772 OVYQXIWETMPBKE-SNVBAGLBSA-N 297.107 4.558 30 10 CJEE CC1(COc2cccc(Cl)c2C#N)CCCCC1 2027290952 CZQXGSZEBZYUKR-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1C[C@H]2CCCC[C@H]21 2028760772 WQPCYLPLMLTUNN-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE CCc1ccc(CSc2ccc(C#N)c(Cl)c2)o1 2028953388 PBCWJIOOVVCZCU-UHFFFAOYSA-N 277.776 4.659 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1CCSC1 2029467310 RETLZKOVRBFZFZ-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE 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4.981 30 10 CJEE C=CCCC[C@@H](NC)C1CCC(CC(F)(F)F)CC1 2353595167 GNCRIGALIOORTJ-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CSc1cc(NC[C@@H]2CCC(C)(C)C2)ccc1C#N 2353828578 RFSFRWZMRZLESY-GFCCVEGCSA-N 274.433 4.518 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CC[C@H](C[C@@H]1N)C2 2354512736 HBYIYUGFJYVOBC-RYRKJORJSA-N 279.468 4.604 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2CC[C@@H]1O2 2360179285 AZRXGOHEIKFYFO-XDNAFOTISA-N 281.484 4.673 30 10 CJEE Cc1ccc(/N=C2/N=C(O)S/C2=C\c2ccccc2)cc1 18058655 NGIOJRXZYMYTPT-PTNGSMBKSA-N 294.379 4.727 30 10 CJEE N#CCCCn1c(C2CC2)nc2cc(Cl)c(Cl)cc21 57869286 SRVYHCCHEPELGH-UHFFFAOYSA-N 294.185 4.524 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccc(C)cc3[nH]2)C1 61440252 SMDYBYMOVTUTDJ-DVOMOZLQSA-N 299.443 4.682 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](SC2CCCC2)C1 62829644 KWCPDOUMXIUYHV-KCQAQPDRSA-N 251.439 4.771 30 10 CJEE C=CCCCOc1ccc2ccccc2c1CNC(C)C 71274466 SUMYXOSDZKARDW-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE C=CCCC[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 71277191 VYZSRDLZKPRIFD-NNGLDNROSA-N 275.480 4.927 30 10 CJEE Cc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccccc1C 71465072 FFKKGSMBBFMXCX-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CCCCn1nc(C#N)cc1-c1ccc(Cl)c(Cl)c1 76849153 YQMFVLOWZIPZNP-UHFFFAOYSA-N 294.185 4.529 30 10 CJEE CCCCCCn1nc(C#N)cc1-c1cccc(Cl)c1 76850994 HQNCEGCYNJQHID-UHFFFAOYSA-N 287.794 4.655 30 10 CJEE CC(C)Oc1ccccc1-c1cc(CC#N)c(C2CC2)o1 77083361 CQCHUKXORZFGMJ-UHFFFAOYSA-N 281.355 4.677 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)[C@@H](C)c2ccccc2)CC1 91884775 KABBADNSZWVFQY-YQBZFSLMSA-N 285.431 4.507 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)CCCCCCS 94579657 HUJSYNLPXXAERK-CYBMUJFWSA-N 285.884 4.823 30 10 CJEE CCCCCCCOc1ccc(C(C)(C)C)cc1N 100146897 MLIFOJHAQBLDER-UHFFFAOYSA-N 263.425 4.916 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1[C@@H](C)N 103993671 DHWYBXIMNVOALG-GFCCVEGCSA-N 269.816 4.709 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2ccccc2C1 104147370 NXKRIAVPIUAJCY-GOSISDBHSA-N 259.437 4.623 30 10 CJEE CCOc1ccc([C@@H](C)CCC#N)cc1C(C)(C)C 107591391 WGWVACFWXCEBAF-ZDUSSCGKSA-N 259.393 4.790 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)cc(C(C)C)c1OC 107631851 IMFPAFVTUMXGLZ-LBPRGKRZSA-N 264.796 4.989 30 10 CJEE N#CC1(NCC(F)(F)F)CCCCCCCCCCC1 110029518 PWRZRCRGPUHYRR-UHFFFAOYSA-N 290.373 4.705 30 10 CJEE CCCCCCCCCCCCN1CCC(=NO)CC1 110323172 QFMVCVNTCXFZQR-UHFFFAOYSA-N 282.472 4.833 30 10 CJEE CCCCCCC[C@@H](C)N1C[C@H](CCN)c2ccccc21 110418197 OQBLSCYPCLXZSM-SJORKVTESA-N 288.479 4.688 30 10 CJEE CCCCCCCCCN1C[C@@H]([C@@H](C)CC)NCC[C@@H]1C 114349805 UXASPABEXJJMLJ-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@](C)(O[C@@H](C)CC(C)C)C(=O)O 114390325 XNXYBUNWWOAKCI-HOCLYGCPSA-N 272.429 4.641 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1CCCO1 114994526 QBOHUICNSYLNGC-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC(=O)Nc1ccc([C@H](C)NC)cc1 115854922 POKHYHSUUCWDSM-HNNXBMFYSA-N 290.451 4.656 30 10 CJEE CCCCCCCC[C@H](CCCc1cccs1)NN 122412289 HIWBKWWFLXJTPX-OAHLLOKOSA-N 282.497 4.653 30 10 CJEE CCCCCCCCCCNCc1ccn(C(C)C)n1 129352232 AMTLZUBRXSZOOS-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)NCc2cccs2)CC1 130052310 DYIKQXAAPOPLFC-XUJLQICISA-N 290.476 4.582 30 10 CJEE CCCCCCCCOC1CCC(NCCC)CC1 131279594 RLRVRCIWHPFTKV-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(OC)CCC[C@H](C)C1 158371112 LIXNMUYLWFQWSI-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE C=C(C)CC[C@@H]1CCCCC[C@@H]1CNC(C)(C)C 164929855 OYOBNGDKPKHINK-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCO[C@@H]1C1CC1 166168458 RSIBKDAHRGDMMN-RTBURBONSA-N 295.511 4.922 30 10 CJEE CCCCCCCn1cc(CN)c2ccc(Cl)cc21 166692771 VGHXFXIUQSBWDE-UHFFFAOYSA-N 278.827 4.724 30 10 CJEE C=CCC[C@@H](NCCC)C1(CC(C)C)CCCC1 167767311 VUWJCUXULPKJJJ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCNC[C@H]1C 169216937 VWBZVDNZIOAYGV-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C(C)C 191484751 SDYSNFNGXPWTTR-AWEZNQCLSA-N 288.435 4.705 30 10 CJEE C=CCCCCCCCC(=O)OCc1ccccc1 217444964 FPICZNHNASWVCC-UHFFFAOYSA-N 260.377 4.647 30 10 CJEE CCCCCN(C(C)C)[C@H]1C[C@@H](CCC)CC[C@@H]1C#N 217942773 NQAGRZZKOKLPGS-KSZLIROESA-N 278.484 4.996 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 219669564 SCGGOYHLQVZJLP-KZNAEPCWSA-N 265.485 4.887 30 10 CJEE CC(C)c1ccc(COc2ccc(C#N)c(Cl)c2)cc1 226059540 SKZHRZNHRJWDGW-UHFFFAOYSA-N 285.774 4.914 30 10 CJEE CCCCCCC[C@@H](CCCC(F)(F)F)NC 229036932 OTBOZCIBCFHAFD-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cc(F)cc(Cl)c1 230017075 QQOIMTBQTISCNR-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCC[C@H](C)Nc1ccc(C#N)c(F)c1F 232943908 YROSZYZPZYTLGY-NSHDSACASA-N 266.335 4.607 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Cl)c(F)c2)C1 233938955 GNGJMRNWYZYMGH-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Cl)cc1OC 234823133 DCSQIHGYFROBJX-AWEZNQCLSA-N 268.784 4.519 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)c(F)c2)c(Cl)c1 236152633 SKHWORAOUYSDKB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2ccccc2s1 236225724 KVJWGTZXMYVBSC-CQSZACIVSA-N 274.433 4.542 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(F)c(C(F)(F)F)c1 236303004 OKAIVQZZZGIJTP-AWEZNQCLSA-N 289.316 4.981 30 10 CJEE C[C@H]1C[C@@H](C)C[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 252565561 YYRJJRMRGBFEBU-HZNCNYQSSA-N 291.479 4.920 30 10 CJEE CC(C)CCN(C1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252893657 RGBNYLVUNJNRJY-LZLYRXPVSA-N 290.495 4.851 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 253336417 YJIIOMXLFNOGCA-HZSPNIEDSA-N 252.398 4.506 30 10 CJEE CC(C)n1c(CCC#N)cc2ccc(C(F)(F)F)cc21 259968718 IIDMPYFZVJAUEF-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H](C)C(C)(C)C 311445249 WISRCDKNWSQISP-CVEARBPZSA-N 265.485 4.867 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(C)c1 311485820 MHZBITCMTSTFLA-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE C=CCCCCCCN[C@@H](CC)Cc1ccccc1 311961846 LNYGFMNACLOUJZ-SFHVURJKSA-N 259.437 4.734 30 10 CJEE CCCCCCCOC[C@H]1C[C@@H](C)Nc2ccccc21 312524471 OYWYAPMHRKGURD-HZPDHXFCSA-N 275.436 4.961 30 10 CJEE C=C(CC)C[C@]1(CNCC(C)C)CC[C@H](CC)C1 318145869 GKXJTCLWCAOMCC-DLBZAZTESA-N 251.458 4.785 30 10 CJEE CC(C)[C@H](CS)CSc1ccc2ccccc2n1 380651779 YPYZZMXOEKUHHA-CYBMUJFWSA-N 277.458 4.529 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H]2CCCCC2(F)F)CC1 382042363 DMQLUVFBVOJLKD-DGCLKSJQSA-N 256.336 4.518 30 10 CJEE Cc1cc([C@@]2(C#N)CCCC[C@@H]2C)c2ccccc2n1 384848981 KNHKVYFSJXVQQZ-SCLBCKFNSA-N 264.372 4.515 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@H](C(C)(C)C)CC1 385128168 GSBYZHRCROVAFD-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc2sccc2c1 386523639 FJGQFPZPYNHJHW-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(C)c(Cl)c1 387524508 AOSZLPMNVWFMRM-KRWDZBQOSA-N 295.854 4.670 30 10 CJEE CCC1CCC(C#N)([C@H]2C[C@@H]2c2ccccc2)CC1 388692229 UKVVHHWYYVIKHS-MKFDVMFOSA-N 253.389 4.900 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)cc1Cl 393802978 NDWBAENFGUGPCX-CMPLNLGQSA-N 272.219 4.999 30 10 CJEE CCC1CCC(C#N)([C@H](O)CCC2CCCCC2)CC1 395114136 QIZWXLLTGATKDS-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](CCN1CCCCC1)NCC 395894554 WERFQXSAHNCZHY-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCC(CC)(CS)COc1ccc(Cl)c(F)c1F 396602093 BEFVQUXQPUNMFS-UHFFFAOYSA-N 294.794 4.733 30 10 CJEE C=CCCC[C@H](C)Nc1cccc(SCC)c1C(=O)O 398206908 HPNSIVIITZEHQO-LBPRGKRZSA-N 293.432 4.654 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccns1 401134844 SDRBYGFEPXKIBY-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C#CCCCCCOc1nc(Cl)c(Cl)cc1Cl 686288912 GOPBCSDYYSZQIB-UHFFFAOYSA-N 292.593 4.614 30 10 CJEE C#CCCCCC[C@H](NCC)C1CCC(CC)CC1 686680751 DMNYGNGMAJDJHD-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cnsc1 687176202 SUCCLOVQYXDDAH-CQSZACIVSA-N 254.443 4.674 30 10 CJEE CCn1ccnc1SCCCCCCCCCS 689786993 CDTXQJNXZVKPFX-UHFFFAOYSA-N 286.510 4.656 30 10 CJEE C=CCC1(N[C@@H](c2ccccc2)C(F)(F)F)CCCC1 690816103 WINOKIUIITYWJA-AWEZNQCLSA-N 283.337 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692226983 MTLCEJHVGNIHTF-VYIWNADRSA-N 275.480 4.926 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCC12CCCCC2 692235385 RMSXVESQHOFYKR-ZACQAIPSSA-N 261.453 4.824 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CCC(CSC)CC1 692274543 BVJQFLLURYGUGG-XGHPGWEVSA-N 281.509 4.633 30 10 CJEE N#Cc1cc(Cl)ccc1NCC/C=C/c1ccccc1 695755519 DAIOTPXJNRYAAG-XBXARRHUSA-N 282.774 4.727 30 10 CJEE CN(CC1(CS)CCCC1)[C@H]1CCCC(C)(C)CC1 697826230 CJKLJXXUNDIGBB-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE Cc1cc(Cl)cc(N)c1Oc1cc(Cl)ccc1C#N 706441837 MHYKTFZMVXHKSX-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=CC[C@@H](C)[C@@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715008709 FUOHYURXVASVFD-VWPCXCKMSA-N 262.437 4.556 30 10 CJEE CC[C@@H](Nc1cc(F)cc(C#N)c1)c1cccc(Cl)c1 718512260 YDOQXZOJVUQSOC-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCCCNCc1cnoc1 718986357 ZTPWQZBEHPHSPE-UHFFFAOYSA-N 266.429 4.685 30 10 CJEE C=CCCCCCC1(CNCCC)C[C@@H](C)O[C@H](C)C1 724234923 MCLFKIBWTVVARR-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE N#CCc1cc2cc(OC(F)F)c(C(F)F)cc2s1 725293786 RSFIJOBXVUPTRX-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C#CCCCCCC(=O)O[C@H](C)c1oc2ccccc2c1C 1127965711 RWRJEUYWZTUDHA-OAHLLOKOSA-N 298.382 4.929 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CCCCCCCCCO[C@H]1CCCC2(CCC2)[C@@H]1N 2239469484 UTYJCVCNXGJRNW-DLBZAZTESA-N 281.484 4.804 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNC1CCC1)C(C)(C)C 2239486597 IKEIMRBMMOYEQJ-IRXDYDNUSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@H](NC)[C@H]1C 2239489755 LJRXTXMZNUPFQO-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](N)C#Cc2cccc(Cl)c2)CC1 2239509413 DKWYRTBZPQDOAG-KYJSFNMBSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCCCOc1cc(C=O)ccn1 2239558808 KEPYXIAUULFCBW-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccc(C)c(F)c1F 2239760615 AZILLFLOGMYNKZ-OAHLLOKOSA-N 279.374 4.508 30 10 CJEE CCCCCCCC[C@@H](C)NC1CCN(C(C)C)CC1 2240650619 SUJFLWOSKBCBSM-QGZVFWFLSA-N 282.516 4.588 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2ccc3occc3c2)CC1 2241165803 PPQIGTDOHAIZOT-CYBMUJFWSA-N 268.356 4.998 30 10 CJEE C=CC[C@@H](C)c1sc(Br)c(C)c1C 2241373626 UENIQPNWBRMLDX-SSDOTTSWSA-N 259.212 4.807 30 10 CJEE N#Cc1cc(Br)ccc1SCC1=CCCC1 2246282070 XDGKOMNQSFSSEF-UHFFFAOYSA-N 294.217 4.523 30 10 CJEE C[C@@H](CCS)CCSC[C@@H]1CCCCC1(F)F 2248089962 BELQPQITVZNEQZ-RYUDHWBXSA-N 282.465 4.891 30 10 CJEE C=CCCCCCCCSCCCNCCC 2250027820 IXOKIZRKXFSHHV-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE C=CCCCSc1sccc1CNCC(C)C 2250055424 RMSHLVTUFQFUGW-UHFFFAOYSA-N 269.479 4.552 30 10 CJEE C=C[C@H](C)CCN[C@@H](CC)c1ccc(Br)cc1 2250902402 SRMPXUIQMWVKDD-WFASDCNBSA-N 296.252 4.702 30 10 CJEE Cc1cc(NCc2csc(Cl)c2)cc(C)c1C#N 2254660006 DSKSIXCCAACAEF-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCC[C@@H](O)C1 2259010488 RPZBODJRQYTVAX-HZPDHXFCSA-N 270.482 4.797 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1scnc1Cl 2259163614 ISYWZCDDQNNDQD-LBPRGKRZSA-N 286.872 4.974 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C(C)(C)CC(F)F 2259231087 DIRNVCGYXIARGA-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ncc(Cl)cc1Cl 2259237030 JTHWPHFCGCFUGC-CYBMUJFWSA-N 287.234 4.785 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@](C)(CC)O1 2263646663 IXUQEYIZQASJCZ-HZPDHXFCSA-N 255.446 4.632 30 10 CJEE C#CC[C@@H](COCC[C@H](C)CCCC(C)C)C1CC1 2269427072 RNYFDGVFXLLABK-AEFFLSMTSA-N 264.453 4.905 30 10 CJEE C=CCCCS[C@@H](CC)[C@H](NCC)c1ccccc1 2271484092 AEBHZFNPEDZVNE-DLBZAZTESA-N 277.477 4.815 30 10 CJEE C=CCCCSc1cc(C)ccc1CNCC(C)C 2271584493 CDPJVRHLJNBYLE-UHFFFAOYSA-N 277.477 4.799 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccc(Cl)c(OC)c1 2271774708 FOJDZVYLAWBJLI-INIZCTEOSA-N 282.811 4.693 30 10 CJEE C=C(C)CCCC[C@H](N)[C@H]1CCC[C@]2(C1)CC2(F)F 2271784408 FMTZILDUCMYIOU-KKUMJFAQSA-N 271.395 4.666 30 10 CJEE C=C(C)CCCC[C@@H](Cc1ccccc1Cl)C(=O)O 2271792071 OYAKLNBZVNTIEE-AWEZNQCLSA-N 280.795 4.720 30 10 CJEE C=C(C)CCCC[C@@]1(CNC2CC2)CCCC12CC2 2271833173 MFZPVTPACCLAPK-SFHVURJKSA-N 261.453 4.825 30 10 CJEE CC[C@@H]1SC(=NCC[C@H](C)CCCC(C)C)N[C@@H]1C 2272365098 YQTWOIPVOQFYKR-KFWWJZLASA-N 284.513 4.698 30 10 CJEE C[C@@H]1CC[C@@](C)(C(=O)C#CC2CCCCC2)C1(C)C 2274047059 OXOFJXSPGLGHTA-KDOFPFPSSA-N 260.421 4.602 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc3cccc(C)c3n2)C1 2279724470 XZHDAIMHQVUDDL-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CC1(C)CCO[C@@H](C[C@@]2(C=O)CCCCC23CCC3)C1 2280340907 AYBBVFAMCJHLLG-CRAIPNDOSA-N 278.436 4.511 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CC(C)(C)CCO2)CC1 2280344607 PYKCRNJHLNHCSH-UPTPFMHGSA-N 277.452 4.938 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CCCC[C@H]1C[C@H]1C 2280455484 LGKPWMQOJBWRSI-XDNAFOTISA-N 283.500 4.642 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C=O)CCCc2ccccc21 2280497351 CDJRKJZVIZDPQT-HHXXYDBFSA-N 270.416 4.676 30 10 CJEE Cc1cccc([C@H](C)Nc2cc(C)c(C#N)c(C)c2)c1 2280564182 RTLZRUNEGLKECI-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(OC)c1Cl 2283563056 RBCQICXSPDXKMW-AWEZNQCLSA-N 298.858 4.604 30 10 CJEE C[C@@H]([C@@H]1CC12CCC2)N(C)CC1(CS)CCCCCC1 2283745148 NEZGVWLGXXJTRE-HOTGVXAUSA-N 295.536 4.767 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@]1(C)CCCCC1(F)F 2284183007 LPJITVCRMSDYPP-ZBFHGGJFSA-N 284.390 4.559 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(C)cnn1 2288593400 LTALRSPAPHBKGD-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CC[C@@H](C)[C@@H](C(=O)C#CC1CCCC1)c1ccccc1 2289766769 RCPXOIAMEAQWPM-DNVCBOLYSA-N 268.400 4.579 30 10 CJEE O[C@H](C#CC1CCCCC1)c1ccc(C2CCC2)cc1 2289786923 PHITYZYOCIXQFF-LJQANCHMSA-N 268.400 4.571 30 10 CJEE O[C@@H](CC#CC1CCCC1)c1cc2ccc(F)cc2s1 2289850866 ZYWMIGOFOQNXKS-HNNXBMFYSA-N 288.387 4.658 30 10 CJEE CN[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)CC#CC1CCCC1 2289873750 GJYYKHRSCHPVAH-KBAYOESNSA-N 275.480 4.621 30 10 CJEE CC(C)NC[C@@]1(CC#CC2CCCC2)CCC[C@@H](C)C1 2289899176 MRIJRXYRIYNSSR-IEBWSBKVSA-N 275.480 4.765 30 10 CJEE CC(C)NC[C@@]1(CC#CC2CCCC2)CCC12CCC2 2289902115 XQVLUDWHVLUPJQ-LJQANCHMSA-N 273.464 4.519 30 10 CJEE CN(CC1(C#N)CCCC1)[C@H]1CC(C)(C)CCC1(C)C 2290306388 GKBANFQRRCUKIZ-HNNXBMFYSA-N 276.468 4.607 30 10 CJEE CCCCCCCCC[C@@]1(OCC(=O)O)C=C(C)CC1 2290576199 IKGRXUWERNQMJD-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)c1ccc(Cl)cc1C 2291443290 DWCLAMQACOJIIN-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CCC[C@H]1CC 2291753045 KGXRIZKSJFNYCD-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(CC)C[C@H](OCCCN)C(C)(C)C1CCCCC1 2293053311 LOLOCIVXOVCJIV-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(OCCCN)C(F)(F)F 2293459122 KISWIWRZSBHIGH-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)C=CCC[C@H]1C 2293599397 ITJKWVSINPNNQQ-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE CCCCCCCC1(OCCN)CCC(C(F)F)CC1 2293678081 GSVMZTWWGOPTDH-UHFFFAOYSA-N 291.426 4.516 30 10 CJEE CCCCCCCCCCC1(OCCN)CC(F)(F)C1 2294558617 DUMKTMKSJMPZAU-UHFFFAOYSA-N 291.426 4.660 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@H]2CCC[C@H]1C2 2294594622 MHLRDFLSOOBCLT-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(F)c(Br)c1 2301011843 ZUWPPFHWZUMDML-UHFFFAOYSA-N 297.167 4.539 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CC[C@@H]2C[C@@H]21 2308142049 HNSPEYYCWFNGMJ-QBPKDAKJSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(C(F)(F)F)s1 2316747710 SRXZCGNQXAYQDL-GFCCVEGCSA-N 275.339 4.535 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)cc1CC 2321102928 VHBNIKBLWYEULH-BLLLJJGKSA-N 265.828 4.765 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCC[C@@H]1C 2321132168 XBHSWNHMVMUTPA-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE CCCCCCCCN(C)C1CC(CCSC)C1 2321266145 VSVFHBLZFLNXAG-UHFFFAOYSA-N 271.514 4.810 30 10 CJEE C=CCC(CC=C)S[C@H]1C[C@@H](NC)CC2(CCC2)C1 2335099318 VGRKRKBZSDIQMG-ZBFHGGJFSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC(CC)(CC)CC[C@H]1N 2335191712 RLPJDEUNJKCOHS-HZPDHXFCSA-N 281.509 4.927 30 10 CJEE C=CCC(CC=C)[C@H](O)C1(C(F)(F)F)CCCCC1 2338732212 GYYQZCWORNZNCJ-ZDUSSCGKSA-N 276.342 4.629 30 10 CJEE CCCCCCCCNC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339238821 XQCGRCWPQNCUJW-KURKYZTESA-N 263.469 4.929 30 10 CJEE N#Cc1sc(OCCC2CCCCCCC2)nc1Cl 2342403288 HOHFBJXMRMDTRD-UHFFFAOYSA-N 298.839 4.798 30 10 CJEE C=C1CC([C@H](C[C@H]2CC[C@H]2C(C)(C)C)NCCC)C1 2343286589 JIEUQUOQNBSHGL-OIISXLGYSA-N 263.469 4.783 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CCC(C)=C(C)C2)C1 2343393209 ZPWLMDFGDIZXSI-KRWDZBQOSA-N 261.453 4.849 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC#CC1CCCC1)NCC 2344335647 BFSXCLGJOQMCKA-ROUUACIJSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2344344487 SHAUDKNFLBHSDV-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(C)cc(C)c1 2344380561 RQQFHTJSBPTULR-ZWKOTPCHSA-N 259.437 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1CC2(C1)CC(C)(C)C2 2344463130 PKRNKJHJAZDDAW-RDJZCZTQSA-N 264.453 4.946 30 10 CJEE CC[C@H](C1CCCC1)N(C)C[C@@](C)(CS)C(C)(C)C 2352083906 IVXFIKLOGMJXSO-WBVHZDCISA-N 285.541 4.869 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C)ccc1C(C)C 2352930626 PSJRJBFMQHPENJ-QGZVFWFLSA-N 259.437 4.981 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@H]1CCC[C@@H]2C[C@H]12 2355650749 ZZXMOTFCFSWMAG-BRSBDYLESA-N 275.480 4.621 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@@H]2C[C@H]2C(C)(C)C)CC1 2357839709 STXXAYPATMKYQF-YLADIXGZSA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1OC[C@@H]2CCCC[C@H]12 2358491835 OLAKVKASSLTRKH-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2359620841 TYCZGEAEEXBLSO-WJFTUGDTSA-N 275.480 4.927 30 10 CJEE C=C(C(=O)O)[C@H]1O[C@@H]1CCCC/C=C(\C)CCCCCC 3643581 WSCIWZRMZZZKRD-SIMUAJLNSA-N 294.435 4.872 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ccccc1C#N 21519349 QYPSTUVLEXVELK-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE N#Cc1ccc(Nc2cc(F)ccc2F)cc1C(F)(F)F 36805560 ZYSSLNVTIYOZQY-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CSc1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954186 HZDXXBVBMMIPIH-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccn2)C1 37155140 OUOJTDHFMHYNRX-MGPQQGTHSA-N 274.433 4.528 30 10 CJEE N#CCCCCOc1ccc(Oc2ccccc2)cc1 42301195 FWBUXNUFUJLTIL-UHFFFAOYSA-N 267.328 4.552 30 10 CJEE C[C@H]1CCC[C@@]2(CS/C(=N\c3cccc(Cl)c3)N2)C1 53099178 YTEYYNWDXMUYOB-NHYWBVRUSA-N 294.851 4.613 30 10 CJEE Cc1ccc(C[C@@H](C#N)c2cccc3ccccc23)cc1 57723227 LSEFSLCPZMEKDC-SFHVURJKSA-N 271.363 4.998 30 10 CJEE CCCCCCCCNc1ccc(NC(=O)C2CC2)cc1 59090645 BRSMFDUXJGJZLN-UHFFFAOYSA-N 288.435 4.808 30 10 CJEE CCCCCCCOc1cccc(CNC(C)C)c1 59178837 KQBITEXYMFWIDR-UHFFFAOYSA-N 263.425 4.534 30 10 CJEE CCCCCCCCOc1ccc(N)c2cccnc12 59266804 DRRVKDQVEOEAKX-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C(=O)O)s1 59275086 AOUGQHBUIIHTOR-UHFFFAOYSA-N 297.420 4.526 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(Cl)cc1 59276913 YZXOLZGQKFKKMB-HNNXBMFYSA-N 253.817 4.961 30 10 CJEE Cc1ccc(Nc2cc(C#N)c3ccccc3n2)cc1Cl 68771888 QOZDZFWHUMYNDK-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE COc1cc(C)c(C)cc1-c1cc(C#N)c(C(C)C)o1 77079896 IXISLTXAKARCOL-UHFFFAOYSA-N 269.344 4.567 30 10 CJEE CCCc1oc(-c2ccc3c(c2)CCCC3)cc1CC#N 77080895 UBAGTVJSUXAAHO-UHFFFAOYSA-N 279.383 4.844 30 10 CJEE CCCOc1ccc(-c2nc(CC)c(CS)s2)cc1 82424499 AFLQFUAKKXWPJW-UHFFFAOYSA-N 293.457 4.591 30 10 CJEE CCCCc1ccc(NC[C@@H](C#N)c2ccccc2)cc1 83861016 YDLRHJASXUOGDL-GOSISDBHSA-N 278.399 4.748 30 10 CJEE CCC(CC)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91882262 BUVNNBGEMTXSDC-CKDBGZEDSA-N 265.441 4.530 30 10 CJEE CC(C)(C)C[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884981 NEEZOQKQUMTBDU-XOYHFGRZSA-N 265.441 4.530 30 10 CJEE CCC(CC)[C@H](C#N)Sc1ccc(Br)cc1 94674673 AQOCQPHHNGHPLK-ZDUSSCGKSA-N 298.249 4.870 30 10 CJEE C=CCC[C@H](Cc1ccc2ccccc2c1)NCCC 97220967 FHSXGJHWKKCTII-LJQANCHMSA-N 267.416 4.717 30 10 CJEE N#C[C@@]1(Nc2ccccc2)CCCC[C@H]1c1ccccc1 97898365 RTFWWBGWLQXIJT-OALUTQOASA-N 276.383 4.719 30 10 CJEE CCCCCCCCNCc1cn(C)c2ccccc12 100677942 MGDBZKHTKSECOS-UHFFFAOYSA-N 272.436 4.628 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ncccn1 107680826 AVXKYTZCVLTNPF-INIZCTEOSA-N 278.440 4.821 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CC(=O)OC 110044031 LVYDTXQZODSXIT-QGZVFWFLSA-N 297.483 4.545 30 10 CJEE CCCCCCCCCCN(C)[C@@]1(CN)CCC[C@H](C)C1 110106700 FEKHFSGKZNQGNT-OALUTQOASA-N 296.543 4.967 30 10 CJEE CCCCCCCCCCCCN(CCC#N)CCOC 110247769 CAYJZINZAOJPCI-UHFFFAOYSA-N 296.499 4.769 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1C 110260926 AONHTBHAYWWNAO-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE Cc1cc(Oc2ccc(F)cc2C#N)cc(C)c1Cl 111037156 OBTIYLVCGZTUFE-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE N#Cc1ccccc1Nc1ccc(C(F)(F)F)cc1Cl 111042491 ZRMPWGUABFWKKJ-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccc(Cl)s1 111143125 WAWPCASKFZQPIM-SSDOTTSWSA-N 298.745 4.724 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CCOc2ccccc21 115844597 VMFQPACJDZCOHT-FUHWJXTLSA-N 289.463 4.891 30 10 CJEE CCCCCCC[C@@H](O)C1(N2CCCCC2)CCCC1 118178384 CJYAUXCGEMCLKU-QGZVFWFLSA-N 281.484 4.507 30 10 CJEE CCCCCCCOC[C@@H]1CSc2ccccc21 118642877 LHRDSJHOCUNXSM-CQSZACIVSA-N 264.434 4.863 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@@H](C)C[C@H]2C 122437901 UKNRTHJLZMXLCF-UONOGXRCSA-N 262.441 4.999 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCOc2ccccc21)NC 123125175 ASSVVGOGTNSPHE-IRXDYDNUSA-N 289.463 4.891 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1Oc1cccnc1C#N 130131741 DHYFRDTYNNKVHM-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCSc1cc(C(=O)O)ccc1F 132517498 SFUZBCLTLKFITL-UHFFFAOYSA-N 270.369 4.586 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)cn1 135384434 JHYGRMNNOVEOHS-CQSZACIVSA-N 289.341 4.884 30 10 CJEE CSc1cccc(N[C@H](C)c2ccc(C)cc2)c1C#N 136641640 BZKSEUAIHZRJJG-CYBMUJFWSA-N 282.412 4.762 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](N)[C@H](CC)C1 147521491 FUUYAHHQVOWWBL-RTBURBONSA-N 296.543 4.967 30 10 CJEE CCCCCCCCOC[C@H](NCC)C1CCCC1 157568306 RBOIJHPICZATKW-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1CCCO1)NC 157842343 MDPPMKZIVYCLFP-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](CC)OC 158208721 XSBJOYDGNSBZOT-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C=C(C)CCNc1ccc(Br)c2ccccc12 164427158 QNGVSOBTUHEUSK-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE Cc1cc(C#N)ccc1CS[C@H]1CCC[C@@H](C)C1 166000488 UZFAJFWXJFDKGV-WBMJQRKESA-N 259.418 4.679 30 10 CJEE CCCCCCCC[C@H](N)CCc1cccs1 166387303 XHMOOPSNRVPSBY-AWEZNQCLSA-N 253.455 4.759 30 10 CJEE N#Cc1ccc(OC2CCCCCC2)c(C(F)(F)F)c1 167437783 SUCONEBLIGBSNZ-UHFFFAOYSA-N 283.293 4.679 30 10 CJEE C=CCCC[C@H](Cc1cc(C)ccc1C)NCCC 167721286 HLQQKWWZAJIPPA-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)CCCOC1 203407374 KLTQHBAPGSTDJV-SFHVURJKSA-N 283.500 4.924 30 10 CJEE N#CCCCc1c(Cl)cccc1-c1ccccc1 207707858 GEWZLTUWRQOGMX-UHFFFAOYSA-N 255.748 4.853 30 10 CJEE CCCCCCCCCCOc1cc(F)cc(CN)c1 223186760 PMODFSQLBRLTBR-UHFFFAOYSA-N 281.415 4.804 30 10 CJEE CCCCCCCCCOc1cc(F)cc(CNC)c1 223204676 JWVXBPYTBRUDMA-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CCC3(CCCC3)O2)CC1 229466204 QCLZCAOSRISFAI-HNNXBMFYSA-N 275.436 4.978 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 230765608 CYHHXLQHHDAIKU-WBVHZDCISA-N 256.393 4.575 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCC[C@@H](C(C)C)C2)CC1 231020660 ZAFFMQOLGMRBMX-FPQWYMTMSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCC[C@@H]1CO 231308213 VMFJWXRXDKOVRT-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCNc1ccc(N(C)C)nc1 232923191 JRKBKRLHJSNRDL-UHFFFAOYSA-N 277.456 4.700 30 10 CJEE CCCCCCCCOC(=O)c1ccc(F)c(S)c1 232956570 OYBCRUXTQLBETB-UHFFFAOYSA-N 284.396 4.632 30 10 CJEE CCCCCCCCOCCC[C@@H](CC)NCC 232958569 IRYZEIXTEYJOEM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 235289073 NKMMPRCTLYABTJ-NSHDSACASA-N 282.305 4.563 30 10 CJEE CCC(=NO)c1ccc(O[C@H]2CCCC[C@@H]2CC)cc1 252461742 SBKPIODKRBDACG-GUYCJALGSA-N 275.392 4.623 30 10 CJEE Cc1ccc(N2CCSC2=Nc2ccccc2)c(C)c1 254692787 YGGRTEZZYYJYCU-UHFFFAOYSA-N 282.412 4.544 30 10 CJEE CCCCCCCCNc1ccnc(Br)c1 309362685 MOCBFVAMYHDADR-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE CCCC[C@@H](CC)COc1ccc(CC(C)=NO)cc1 312149408 FVIMNQUKIYIJKT-OAHLLOKOSA-N 277.408 4.674 30 10 CJEE CCCC[C@H](C)N(C)c1ccc(C#N)c2ccccc12 312627591 HGBNPYWHPJEBJG-AWEZNQCLSA-N 266.388 4.726 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1 318489397 COHHRNBFHMGSAA-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@H]1CC[C@H](CC)CC1 328368579 VNUIRVSXHIAJBE-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@]2(CCC[C@H](CC#N)O2)CC1 382266848 OSNPZZBYKIZFTM-BFYDXBDKSA-N 263.425 4.834 30 10 CJEE CCC(CC)(CC)[C@@H](C#N)Nc1ccc(Cl)cc1 395132763 SGHCWGOJDQHFHE-CQSZACIVSA-N 264.800 4.860 30 10 CJEE N#CCc1c(C(F)F)cc2sccc2c1Cl 396188274 KAHKCVBVJWOSPD-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]2CC(C)C)C1 396871068 OGIZFVDHOSLJNK-BRSBDYLESA-N 276.468 4.605 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)C(C)(C)C 397493823 NVBDGZVWVIQWCM-GXTWGEPZSA-N 278.827 4.519 30 10 CJEE C=CCCC[C@H](C)Nc1cc(C(F)(F)F)cc(Cl)n1 398308766 OJNUBIBCLBOBPZ-VIFPVBQESA-N 292.732 4.911 30 10 CJEE Cc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)c(C)c1 606208265 AGHRPJXIIKCIAI-HJWRWDBZSA-N 288.749 4.992 30 10 CJEE C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 611438607 HRLHMFQEAAOBOP-BEVDRBHNSA-N 290.410 4.545 30 10 CJEE C=CC[C@H](CC1(c2ccccc2)CCCC1)NCCC 686719310 JJHRSQOKCKLGGZ-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H]1C1CCC1 688948228 LWDNVEAHNZBJTD-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE C=CCC1(Nc2nc(C(C)C)nc(Cl)c2C)CCCC1 690722444 KDZQMBVUZYZVRO-UHFFFAOYSA-N 293.842 4.863 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(OC)c(Cl)c1 692240087 NDVYHSVDHQOQQZ-GOEBONIOSA-N 293.838 4.573 30 10 CJEE CCCCCCCO[C@@H](CC)CNC(CC)CC 695063404 YORSRSPUOPPEAE-INIZCTEOSA-N 257.462 4.530 30 10 CJEE C=C1C[C@H]2CC(Nc3ccccc3Cl)C[C@@H](C1)C2 697297062 PNYSVFXIXRQBSI-PBWFPOADSA-N 261.796 4.887 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H](C)c3ccccc3)C[C@@H](C1)C2 697305428 WQGINBUIZYDXFF-VLFFPSDRSA-N 269.432 4.515 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C1CCC1 701308283 MHCZHHVSGXXOCO-NOZJJQNGSA-N 296.197 4.606 30 10 CJEE CCCCCCCNc1ccc(Br)c(C)n1 703745200 WGJGZQXUUCTBEJ-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE CCCCCCCCCCCC[C@@H](CN)COCC 704125599 JDODGJQYGYFGTO-KRWDZBQOSA-N 271.489 4.909 30 10 CJEE O=C(C1=CCCCCC1)c1c(F)ccc(F)c1Cl 707865154 BBMSMPYORDLGMF-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCC(C2CCCC2)CC1 708858159 MCOLVPRECPQBME-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CCC(CC)CC1 710550265 WTQLKBKYHIXUJB-YMAMQOFZSA-N 257.849 4.714 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1Nc1cccc(Cl)c1C#N 717552585 FJRDIMYPBHMWFJ-IAQYHMDHSA-N 276.811 4.838 30 10 CJEE CC(C)(C)CSc1ccc(C(F)(F)F)cc1C#N 718775475 XSPDQHIZUGYAFN-UHFFFAOYSA-N 273.323 4.715 30 10 CJEE CCCCCCCCC[C@@H](NC)C1C2(CC2)C12CC2 720261188 VBZROJBQKQKEPI-OAHLLOKOSA-N 263.469 4.905 30 10 CJEE C[C@H](CC(C)(C)C)CC1(C#N)C[C@@H](C)O[C@H](C)C1 724237876 YSGUQECEYCPHQR-MGPQQGTHSA-N 251.414 4.546 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCC[C@H](CC)C2)CC1 724541657 BFVJNBAXZGQLJC-XIRDDKMYSA-N 250.426 4.700 30 10 CJEE CSc1ccc(C=Nc2cc(C)cc(C)c2)cc1 1084506814 ZVTPOHFEPNIZBI-UHFFFAOYSA-N 255.386 4.776 30 10 CJEE C#CCCCCCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1125072311 WLJHQLVCRGELJP-SFHVURJKSA-N 299.458 4.864 30 10 CJEE C=CCN(C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(C)(C)C 1131324671 NNJVCOFCZWPYMW-HUUCEWRRSA-N 279.468 4.652 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H](C)c1cccc(C#N)c1 1167392030 RNIQGIJSPJCLEX-INIZCTEOSA-N 282.431 4.688 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@@H]1c1ccccc1 1207075278 CLHOGYRTHUCQTF-QZTJIDSGSA-N 271.448 4.905 30 10 CJEE C=CC[C@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 1270623639 XJQDKKRIEFQTTH-JKSUJKDBSA-N 293.838 4.551 30 10 CJEE CCCCCCCCCN1CC[C@@H](c2ccco2)C1 1307475569 CLZWKJMMDMUMLK-MRXNPFEDSA-N 263.425 4.820 30 10 CJEE C=CCCCCCCCN[C@@H]1CCC[C@H]1C(C)C 1308804168 ZLIOXXLHUAFMOT-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@H](C)NCC1(C#N)CCCCC1 1308867462 RSLGUMRZXGUIQH-INIZCTEOSA-N 262.441 4.575 30 10 CJEE C=CC1(CC(=O)N(C2CC2)[C@H](C)[C@H](C)CC)CCCCC1 1353083877 UBAWTIFWTCAASO-HZPDHXFCSA-N 291.479 4.939 30 10 CJEE C=CCN(C(=O)[C@@H](F)CC1CCCCC1)c1ccccc1 1355009797 SCAQPGNOAVWTCN-KRWDZBQOSA-N 289.394 4.514 30 10 CJEE C=CCCCN(CC)C(=O)C1CCC(c2ccccc2)CC1 1439893856 GPXCOXRRPUYBJO-UHFFFAOYSA-N 299.458 4.775 30 10 CJEE C=CC[C@H]1N(CCCSCC(C)C)CCCC1(C)C 1460032550 YNOWSBFWCLURSZ-MRXNPFEDSA-N 283.525 4.832 30 10 CJEE C=CCC(C)(C)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1462160807 CWZXBUUKDFASRU-MRXNPFEDSA-N 299.458 4.840 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 1474208162 UFMPSKVQFBMGJC-YDZRNGNQSA-N 269.432 4.515 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCSC(C)(C)C1 1474725266 AXIHDXJBCXETFP-GJZGRUSLSA-N 269.498 4.775 30 10 CJEE C=CC[C@@H](C)NC(=O)Nc1cccc(C2CCCCC2)c1 1476912594 ZEWLGNOSUHXBMD-CQSZACIVSA-N 286.419 4.820 30 10 CJEE C=CCC1(C(=O)Oc2ccc(C)c(C)c2)CCCCC1 1522283286 LLGHSMWIRLYQNR-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C=CCC[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 1523510141 MDIMTNNWJUBVCQ-LJQANCHMSA-N 297.442 4.743 30 10 CJEE C=CCC(C)(C)CNC(=O)c1csc2cc(C)ccc12 1523517954 XXMHDRYIHDODSH-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=CCC1(NC(=O)/C=C/C2CCCCCC2)CCCC1 1532276651 NFQIYFFKZIDKON-VAWYXSNFSA-N 275.436 4.518 30 10 CJEE C#C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(C)(C)C 1535510291 MSAHWPQYJJVWBY-SFHVURJKSA-N 297.442 4.512 30 10 CJEE C#CCN(Cc1cccc(C(C)(C)C)c1)C1CCCCC1 1559513712 FQQPXJDEYIYSKQ-UHFFFAOYSA-N 283.459 4.752 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 1560556589 FTFJWKFEEFGVPE-ISTRZQFTSA-N 275.823 4.662 30 10 CJEE C=C(C)c1cccc(NCc2ccc(C)cc2C)c1 1560611580 CHBMJWHTLGTTAI-UHFFFAOYSA-N 251.373 4.949 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCC[C@H](CC)C1 1560699383 RUWPMJKALMPOHV-PKOBYXMFSA-N 296.458 4.763 30 10 CJEE C#CCCCCCCN[C@H]1c2ccccc2CCC[C@H]1C 1560735106 RHHRRRDVLMUTGN-YLJYHZDGSA-N 283.459 4.873 30 10 CJEE C=CCC1(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCCC1 1560830597 CAEGKTRXDPFJGU-HZPDHXFCSA-N 293.495 4.695 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cccc(C)c1OC 1560907996 CQPOQXYGYHIBHR-MRXNPFEDSA-N 275.436 4.618 30 10 CJEE C=CC1CCN(CC2CCC(c3ccccc3)CC2)CC1 1615519064 BXYMWSARUMKXHE-UHFFFAOYSA-N 283.459 4.858 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C(F)(F)F)c(C)c1 1621016499 JOZASKSNSYRPDI-UHFFFAOYSA-N 285.353 4.848 30 10 CJEE C=CCC[C@@H](CCC)N[C@H](c1ccccc1)C(F)F 1621577023 HLLITZPPPYHQPA-HUUCEWRRSA-N 267.363 4.717 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc2ccn(CCC)c2c1 1629942873 XCBJUJCXQVRTQL-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE N#C[C@H](SCc1cccc(F)c1F)C1CCCCC1 1652200221 COBITJLSBQHGCS-AWEZNQCLSA-N 281.371 4.670 30 10 CJEE C=C(C)c1cccc(NC(=O)CCC[Si](C)(C)C)c1 1653376654 YFCOSKUIBYDPMN-UHFFFAOYSA-N 275.468 4.777 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C3CC3)cc2F)C1 1656357050 NOTBWIAERYEAQC-SUMWQHHRSA-N 273.395 4.538 30 10 CJEE C#CCCCCCCNCc1ccc(C2CCC2)cc1 1658863098 ULKMVEGFJRQYHT-UHFFFAOYSA-N 269.432 4.627 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@@H](CC)CC1)c1ccc(Cl)cc1 1659355374 SVHHUBJGEGJNKS-JLSDUUJJSA-N 289.850 4.963 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@H]1CCC(F)(F)C1 1660868489 ZBXRPLYSFAGAFW-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)[C@H](C)C1CCCCC1 1675760325 KRYXPIXWAFRPIB-OAHLLOKOSA-N 294.483 4.589 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 1685868602 BEQXEWDRXGNJBW-ARFHVFGLSA-N 294.483 4.587 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C2CC(c3ccccc3)C2)C1 1875794920 HZGDDFRIDUDFOF-LTDKPHRXSA-N 256.389 4.576 30 10 CJEE CC#CCCC[C@]1(CNCC)CCCCC12CCC2 1879651921 XWOKPDRTBKMLRI-GOSISDBHSA-N 261.453 4.520 30 10 CJEE CC#CCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 1879652155 ZPSBROXQQZOWTC-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE C=CC[C@H](C)c1c(Cl)ccc(Br)c1F 1885155840 PVZMGCIPVWBTKJ-ZETCQYMHSA-N 277.564 4.921 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(Cl)cc1F 1885234642 AHADTLCVRNNXQO-INIZCTEOSA-N 281.802 4.713 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1CC(C)=C[C@H](C)C1 1885245768 XILUMDUROGGHHH-SZMVWBNQSA-N 261.453 4.541 30 10 CJEE C=CCC(C)(C)[C@H](CCCOCc1ccccc1)NCC 1892652598 KXDAXZMXVJKHCY-SFHVURJKSA-N 289.463 4.564 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CN=C2N[C@H](CC(C)(C)C)CS2)C1 1912049232 AORLIWQBNYUSPD-CBBWQLFWSA-N 296.524 4.556 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@@H]1CCC2(CCCCC2)C1 1916124664 ZXMQADIZEQHMDQ-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ncc(C#N)cc1Cl 1917200473 TYIZRHKFVPRSDV-UHFFFAOYSA-N 285.778 4.782 30 10 CJEE C=CC[C@@H](C)[C@](C)(O)c1ccc(-c2ccccc2)cc1 1919690133 TVBKCSJTGYOFOD-BEFAXECRSA-N 266.384 4.773 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(F)c(F)c1 1919908891 FEAGMDKQAJKOPA-OAHLLOKOSA-N 256.336 4.533 30 10 CJEE C=CCOc1ccc([C@@H](O)CC2CCC(C)CC2)cc1 1920022128 KKSOCIVQAPDGLS-JMLCCBQJSA-N 274.404 4.501 30 10 CJEE C=C([C@H](Cc1cc(C)cc(C)c1)NCCC)[Si](C)(C)C 1922986506 HBUFDJASRQGCBA-SFHVURJKSA-N 289.539 4.648 30 10 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C=CCCCCCCC[C@@H](NCCC)[C@@]1(C)CCCO1 2235538510 IZWJGQDRPMIETM-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCN1CCc2ccc(F)cc2C1 2235541481 INZQWUDSXFZRBD-UHFFFAOYSA-N 275.411 4.710 30 10 CJEE C=CCCCCCCCOc1cccc2c1[C@@H](O)CC2 2235542779 WDCYQUKSCQLTKH-INIZCTEOSA-N 274.404 4.572 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)C1(C)CC2(CCC2)C1 2236506095 HCUJYRRXEOPCDK-INIZCTEOSA-N 291.555 4.596 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](O)CC)nc1 2239446448 NXLXFHZVSQVWJD-KRWDZBQOSA-N 279.424 4.654 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NCC)C1CCCCC1 2239509677 GRGQSOPYJKEQOV-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H]1CC[C@@H](C)C1)C(=O)O 2240616584 SNLLNHGBZSVZBA-INMHGKMJSA-N 284.440 4.786 30 10 CJEE CCCCCCCC[C@](C)(O)c1ncnc2cscc12 2240619785 LQDZRMVTUUKKRK-INIZCTEOSA-N 292.448 4.649 30 10 CJEE C=CCCCCCCCS[C@@H](C)C[C@@H](C)NC 2250064937 IEQWJCKIMPMYLD-CABCVRRESA-N 257.487 4.633 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2257492420 VGAQONWMEZZIHX-PELKAZGASA-N 277.717 4.571 30 10 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CCCCCCCCC[C@](C)(O)CC(C)(C)COC 2278180073 GTYLCYJGTLEHTB-KRWDZBQOSA-N 272.473 4.941 30 10 CJEE C=CCOc1ccc([C@H](O)CCCC[C@H]2C[C@@H]2C)cc1 2280450705 DWDDRKXOVALRQS-QILLFSRXSA-N 274.404 4.501 30 10 CJEE CCCCCCCCCC[C@H](O)CNC1CCCCC1 2288157251 BUJNKUITIFSBCK-SFHVURJKSA-N 283.500 4.800 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)C1CC(CC(C)(C)C)C1 2289945636 PUTVRJOQAXCWEN-DQPZFDDXSA-N 280.452 4.515 30 10 CJEE CC(C)(C)CC1CC(COC2(C)CCC(=NO)CC2)C1 2290060927 ODBMPYPXVFRALW-UHFFFAOYSA-N 281.440 4.628 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](N=C2N[C@@H](C(C)(C)C)CS2)C1 2290304843 JQDFRBXHTNEXJI-QWHCGFSZSA-N 296.524 4.698 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)C1CC1 2290574040 TZFHJBLCESKWLM-GOEBONIOSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@](C)(OCC(=O)O)C(F)(F)F 2291707537 NPLLADOFXHHOQK-ZDUSSCGKSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1csc(C)c1C 2291947586 OFTYYLDCDUDVMR-OAHLLOKOSA-N 298.448 4.868 30 10 CJEE C=CCCCCC[C@H](OCCN)C1C[C@@H](C)C[C@H](C)C1 2292891843 LECPSOAZJSLLEQ-BQFCYCMXSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC[C@@H](C(C)C)CC1 2293299774 BMZAHIRKMQAUSU-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCC(C)(C)C[C@@H]1C 2293351047 YLUUJOCZRVRNMV-KBXCAEBGSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H](C)C1CCC1 2293855028 IHHDUYPDUZKBTP-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C1CCCC1 2293873993 RWSBOSHFBYKCOZ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C1CC(C)C1 2294020040 CJTYUWUCIKDLMO-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1C[C@H]2C[C@@H]2C1 2294328512 UEFFUHRKCCSOKG-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O[C@@H]1C=CCC1)C(=O)O 2295596950 PJGPDOZVHJUJMJ-WBVHZDCISA-N 282.424 4.706 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc2ncsc2c1 2295876225 BUQDBJMRMXZIBD-CQSZACIVSA-N 291.464 4.551 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1C#N 2298931166 WOTNUWFYHZPGTL-UHFFFAOYSA-N 263.793 4.825 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(Cl)cc(Cl)c1 2301038331 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CC1(C)CCCC[C@]1(C=O)CCC1(C(F)(F)F)CC1 2344914500 VILGEFHEYDYIMH-CQSZACIVSA-N 276.342 4.895 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)OCC(=O)O 2360035892 SNFDTABISLETSS-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CC1CCC(CS[C@@H](C)C[C@](C)(C#N)NC(C)C)CC1 2360506527 MCJFASNPJOHALG-ODZFXCKXSA-N 296.524 4.605 30 10 CJEE Cc1c2c(cc3ccccc13)-c1ccccc1[C@@H]1O[C@H]21 2039852 MFBSRFKHKCKLIC-RBUKOAKNSA-N 258.320 4.941 30 10 CJEE C=CCc1ccc(OC)c(-c2ccc(O)c(CC=C)c2)c1 26578365 QVLJMPBNVQXYEL-UHFFFAOYSA-N 280.367 4.525 30 10 CJEE N#Cc1ccc(N[C@@H](CC(F)(F)F)c2ccccc2)cc1 37212205 VQOKPEGFOOZSOR-HNNXBMFYSA-N 290.288 4.664 30 10 CJEE CCCCCC[C@H](C)OCCCC[C@](C)(C#N)NC(C)C 45323945 GDBWEYRVABRQKD-ZWKOTPCHSA-N 296.499 4.812 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)cc(Cl)c1 54823592 PRTWIIBWNXHVKB-HZMBPMFUSA-N 283.202 4.878 30 10 CJEE CC(C)(C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 59138568 VVKLZKUERJKUJV-XSFVSMFZSA-N 296.414 4.928 30 10 CJEE CCCCCCCCCOc1ccc(CNC)cc1 59178690 BRUHIRMMBMRBEW-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCCCNc1ccccc1C(=O)OCC 59207953 XWZZQXPMLDVMMK-UHFFFAOYSA-N 277.408 4.636 30 10 CJEE CCCCCCCCN(CCC)Cc1ccccc1N 59267383 GKHGYYAJSHBUKR-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)cc(F)cc1F 59277427 QPBYDBSETPZPRH-AWEZNQCLSA-N 273.342 4.725 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C(F)(F)F)c1 71276481 JEQREYKVMNQSDQ-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CCCc1oc(-c2cccc(O[C@H](C)CC)c2)cc1C#N 77081424 VNVSWYGAVFZQQR-CYBMUJFWSA-N 283.371 4.948 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1 83194295 VACNOWRZDRFWOE-ZHACJKMWSA-N 294.394 4.988 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297297 PERQLSCMQXLHBY-CPUCHLNUSA-N 271.429 4.986 30 10 CJEE C[C@H]1CCc2ccccc2N1CC1(CS)CCCCC1 94578494 JPJJDKVBSSOOAQ-HNNXBMFYSA-N 289.488 4.708 30 10 CJEE CCN(Cc1cccs1)CC1(CS)CCCCCC1 94580962 KNOCZLYUQNZINU-UHFFFAOYSA-N 297.533 4.840 30 10 CJEE Cc1ccc(C(C)C)cc1OCCCCCS 94585483 AFZIANHATGVEJN-UHFFFAOYSA-N 252.423 4.597 30 10 CJEE Cc1ccc(SCC2(CS)CCCC2)cc1C 94588748 OSXMBZLIDYXVES-UHFFFAOYSA-N 266.475 4.886 30 10 CJEE SCCCCCCCCCN1CCCCCC1 97799158 LNMYSFDHVCFBEX-UHFFFAOYSA-N 257.487 4.523 30 10 CJEE SCCCCCCCCCOCc1cccs1 97799821 VRLHKOLRTXCBRV-UHFFFAOYSA-N 272.479 4.925 30 10 CJEE CC(C)(C)[C@@H]1CC(=O)N(CCCCCCCCCS)C1 97800053 YTANMPXDUOAHBZ-OAHLLOKOSA-N 299.524 4.542 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(C)c1)C(=O)O 103061141 WWNYCXPCJUIDFY-INIZCTEOSA-N 262.393 4.599 30 10 CJEE CCCCCCCCOCCCC[C@@](C)(C#N)NC1CC1 106113105 RPBRYZRDPRQVMB-SFHVURJKSA-N 294.483 4.568 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1ccc(OCc2ccccc2)cc1 107579411 DQRAYOMIDGQQTR-XAUMDUMWSA-N 296.410 4.937 30 10 CJEE CCC#CC[C@H](C)c1cc(Cl)ccc1OCC 107582269 CWPYNIMBSMROAC-LBPRGKRZSA-N 250.769 4.646 30 10 CJEE CCCCCCC[C@H](CNC)Cc1ccccc1F 110191967 KNSYWWVJGHBZRV-HNNXBMFYSA-N 265.416 4.564 30 10 CJEE COc1ccc(Cl)c(Nc2cc(Cl)ccc2C#N)c1 110256939 DNYVEANNAVULSS-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCC[C@H](Cc1cc(F)cc(F)c1)NC 112893945 WKQVCXLYMNIJGJ-QGZVFWFLSA-N 283.406 4.846 30 10 CJEE CCCCCCCCn1nc(CNCC)c2ccccc21 112932103 QHIXFQXQSVQYPR-UHFFFAOYSA-N 287.451 4.506 30 10 CJEE CC1(C)[C@@H](Nc2ccc(Cl)c(C#N)c2)[C@]2(C)CC[C@@H]1C2 112939279 IDKFCGFZJJSUCH-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCN1CC[C@@H](NCC)c2ccccc21 113831315 WOWBFGVKUAWIDO-QGZVFWFLSA-N 274.452 4.518 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2c(s1)CCCCC2 124671264 SDMNNVSMDXBGKU-INIZCTEOSA-N 289.488 4.861 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(OC(C)C)c1 125811639 CKUSMASXHVVZKV-GOSISDBHSA-N 275.436 4.871 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCC[C@H](CC)C1 126787025 MUHMJDKIGGUJMG-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCn1nc(CC)c([C@H](C)N)c1CC 130935478 CMAOURZEBARAOB-HNNXBMFYSA-N 293.499 4.778 30 10 CJEE CCCCCCCC[C@@H](NN)C1(OCC)CCC(C)CC1 131041229 LWBXBLDNAFNQIB-LXPRWKDFSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCCCc1nncn1CCC 136179465 LGQDSCDCKCZUDZ-UHFFFAOYSA-N 265.445 4.761 30 10 CJEE CCCCCCCCCCCCCc1nnc(N)o1 138197340 QYHVDQHXZZHUFE-UHFFFAOYSA-N 267.417 4.505 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@]1(C)CCCS1 139450597 GYUXSCFBDRGCGT-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE CCCCCCCCCCNc1cc(NCCC)ncn1 157455076 VGNSXJCYGPNXOA-UHFFFAOYSA-N 292.471 4.851 30 10 CJEE CCCCCCC[C@@H](NC)c1c(C)oc(C)c1C 158120223 GDAYXAFQIURKDL-OAHLLOKOSA-N 251.414 4.826 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C)cc1Br 167774312 RSJNUBGKBLUCCA-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=C(C)c1cccc(CC[Si](C)(C)C)c1C(C)=O 205186615 COUORYYBFNKYJE-UHFFFAOYSA-N 260.453 4.803 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 227532040 XTENQSSJFMXOJK-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCC(=O)Nc1[nH]nc(C)c1C 228367701 QXMFIADMJXRQDC-UHFFFAOYSA-N 293.455 4.886 30 10 CJEE CCCCCCCCCCCCNCCNC(C)(C)C 228727506 GPXYYNDCLXXBEG-UHFFFAOYSA-N 284.532 4.885 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)ccc1OCC 228824686 HLPYTGNIQVVLPF-LLVKDONJSA-N 253.773 4.505 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2c(s1)CCCC2 229756675 MCWLPPGTZNHIIM-CQSZACIVSA-N 263.450 4.634 30 10 CJEE C=C(CC)C[C@H](NCC)c1csc2ccccc12 229758378 VLLZTFMWUFQEGR-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=CCC[C@H](C)Nc1cc(C)cc(Br)c1 232062793 XPJJSBDUQGBDDC-NSHDSACASA-N 268.198 4.524 30 10 CJEE C=CCCCCCNCc1cccc2ccccc12 232579349 AQCDPUSPUACAGK-UHFFFAOYSA-N 253.389 4.676 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(Cl)cc1OC 234459480 KBNJQIBZSBDEAK-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE Cc1ccc(Sc2ccccc2Cl)c(C#N)c1 235894505 IIPXTXVRBWFJEE-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C=CCCCCC[C@H](O)C1CCC(C(F)(F)F)CC1 236534133 LQCJIFHKFZIEQR-RUXDESIVSA-N 278.358 4.853 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 249798450 MIVWKQNHLBQNTG-ZJPYXAASSA-N 278.484 4.996 30 10 CJEE CCCCCCCCCN1C[C@](C)(C2CC2)NC[C@H]1CC 250803799 DTNYQWJRSPJKQE-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@H]1[C@H](C)CC 250829364 PSTFEICONPNCDP-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CCCCCCCCOc1ccc(C(C)=NO)cc1OC 252413042 MVRBXDSXRLFEOA-UHFFFAOYSA-N 293.407 4.633 30 10 CJEE O=C(C=C1CCCCC1)c1c(F)cccc1Cl 304388500 YAPHXYJPRVGPGS-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE C=CCS[C@H](C)[C@H](NCCC)c1ccc(CC)cc1 311480486 TXHDQNLPTDMJMH-PBHICJAKSA-N 277.477 4.597 30 10 CJEE CCC1CCC(C=O)(Cc2cccc(Cl)c2F)CC1 317873566 LOEPKVYJUWCFLE-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C=C(C)CC1(CNCC(C)C)CCC(C)(C)CC1 318311872 QVFPHNCAFWEXBR-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(CSC)cc1 327954451 ZOGDIAPDBLZEDT-KRWDZBQOSA-N 294.508 4.805 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccc[nH]1 380822960 YGWMCKNTSDGRQF-OAHLLOKOSA-N 250.430 4.806 30 10 CJEE CC1(C)CCC(C#N)(CCOCc2ccccc2)CC1 381070471 OXUUKHSWPGTRNH-UHFFFAOYSA-N 271.404 4.703 30 10 CJEE C=CCCCOCc1cccc(CNC(C)(C)C)c1Cl 381687482 MZRVIYAZBQIMIR-UHFFFAOYSA-N 295.854 4.711 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)OC(C)C 384155322 URZXENGNWNARFK-MRXNPFEDSA-N 271.489 4.919 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccc(C(F)(F)F)cc1 385001899 MBGULOWVDJOPCE-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE C[C@]1(c2cccc(Cl)c2Cl)CCC[C@@H](CC#N)O1 386292878 DFJQILAMGPMLBC-IINYFYTJSA-N 284.186 4.691 30 10 CJEE CCCN(CC1(CS)CCCCCC1)C(C)(C)C 387199081 ZZIOWWSDCDYINC-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=C(COC(C)C)[C@H](CC1CCCCCC1)NCCC 387685911 UBZRKQUIRKEXPB-SFHVURJKSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCCNC[C@H](CC)N(C)C 388778315 GKCBNJVWFOMTRD-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cc2ccccc2o1 389080884 CZGALYVSNNXYGL-ZDUSSCGKSA-N 257.377 4.686 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@H](C2CCCCC2)CS1 391367867 PNSMAJWCSKSQAT-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE CSc1cccc(N=C2N[C@H](CC(C)(C)C)CS2)c1 393493779 WLDVOBYDLWCEES-GFCCVEGCSA-N 294.489 4.537 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)C1CCCC1 397128779 OYOZXGKOVRQXKP-CJNGLKHVSA-N 290.838 4.663 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C(F)(F)F 476160181 SGIRCFMNQRWTHY-NSHDSACASA-N 299.336 4.675 30 10 CJEE C=CCC[C@@H](NCc1cccc(-c2ccccn2)c1)C1CC1 536829869 ABZGUTHCMWAUCH-LJQANCHMSA-N 292.426 4.583 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1(C)CC=CC1 654047263 NIDDRLBAILDENT-UHFFFAOYSA-N 298.430 4.769 30 10 CJEE C#CCCCCC[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 686676299 DBIFDRWMBPGSOO-MLHJIOFPSA-N 262.437 4.538 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC[C@H]2CCCCO2)CC1 688057930 LFBGIWDPBQWYQM-UPTPFMHGSA-N 280.452 4.757 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@]2(C)CC2(F)F)CC1 689317703 KFWBUZJUVFRFED-HNFVBEJKSA-N 272.379 4.843 30 10 CJEE C#C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccccc1 690076581 OEHIHISREPEHQL-LJQANCHMSA-N 261.368 4.741 30 10 CJEE C#CCCC[C@H](NCCC)C(CC)(CC)C(F)(F)F 690271275 JYZSUXFBKKIDKA-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)c1 691699706 MFATXGVIMIVJKJ-YUELXQCFSA-N 280.396 4.585 30 10 CJEE CCCCC1CCC(CCC(C)(C)C#N)(C(=O)O)CC1 691753620 QCGYTPWSKPLLCP-UHFFFAOYSA-N 279.424 4.768 30 10 CJEE C[C@H]1CC(N(C)CC2(CS)CCCCC2)C[C@H](C)C1 697666462 PUDBENRDMJDPOY-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 701012198 LLWLEBWOTPUTCJ-YVSFHVDLSA-N 269.473 4.529 30 10 CJEE CC1(C)C[C@@]1(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 702172623 MXUYLBUHOFUWGL-NHYWBVRUSA-N 296.197 4.606 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC2(c3ccccc3)CC2)C1 704053035 PNHNPLOGKCWKAA-DOTOQJQBSA-N 256.389 4.504 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CO[C@H](C)C1 704922742 SLBSPXZUMPTFPF-SJORKVTESA-N 269.473 4.804 30 10 CJEE CC1(C)C[C@H](SCC2(CS)CCCCCC2)CO1 705496064 WKSLHWFJZDMBCK-ZDUSSCGKSA-N 288.522 4.558 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2c(F)ccc(F)c2Cl)cc1 705779916 VHHCSOFEKHSQLK-ZDUSSCGKSA-N 292.716 4.603 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2CCC[C@@H]21 707770767 AKQFJFYHLJCHMA-QLFBSQMISA-N 273.445 4.955 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H]1C[C@H](C)CC(C)(C)C1 709186725 ZRYGUQSYYTZVCO-BBRMVZONSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccccc1Cl 710565128 CRRDLLVZFCNNEO-ZDUSSCGKSA-N 258.192 4.523 30 10 CJEE C=C(Cl)C[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712560555 MELUBKXXRMDWCT-JTQLQIEISA-N 285.092 4.535 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1CCCCCCC1 715772684 WKYPKWFWRCKGER-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCSc1ccccc1NC[C@@]1(C)CC1(C)C 717075368 KNBOGMSSCWDBRM-MRXNPFEDSA-N 261.434 4.813 30 10 CJEE CC1(C)C[C@]1(C#N)Cc1cccc(Cl)c1Br 719433259 YODIUYFRFIJONI-ZDUSSCGKSA-N 298.611 4.585 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)/C(C)=C/C(C)(C)C 791865491 RMBMPJVOMPFQCM-FOWTUZBSSA-N 285.431 4.584 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)C=CCCC2 1131086711 LKOZNEOUWFZGJM-GOSISDBHSA-N 269.388 4.577 30 10 CJEE C#CCN(Cc1ccc(C(C)C)cc1C(C)C)CC1CC1 1168235165 QQVJARHOGHJLQW-UHFFFAOYSA-N 283.459 4.779 30 10 CJEE C=CCCCCN(C)[C@H](C)c1sc(C(C)C)nc1C 1168847645 FGFMCUNYOUMEEJ-CQSZACIVSA-N 280.481 4.924 30 10 CJEE CC(=O)c1c(C)cc(OCCCCC(C)(C)C#N)cc1C 1190029220 CSOZCDDRQUIHBX-UHFFFAOYSA-N 287.403 4.605 30 10 CJEE C=CCCCCCN1C[C@@H](C)C[C@@H]1c1ccccc1F 1191317922 ODSVBPNMISKJFK-MAUKXSAKSA-N 275.411 4.955 30 10 CJEE C=CCCCCCN1CCCC[C@@H]1Cc1ccc(O)cc1 1198611728 DAVZIMUPAORSHH-GOSISDBHSA-N 287.447 4.536 30 10 CJEE C=CCC1(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CCCCC1 1272725874 LOBXJZQKMNWWLX-QAQDUYKDSA-N 291.479 4.844 30 10 CJEE C=CCC1(NCCCc2ccc(Cl)cc2)CCCC1 1307933271 OPHQROSVJBRQPT-UHFFFAOYSA-N 277.839 4.751 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CC)[C@H]1CCCCO1 1308840528 OAGUBBCQGZQXJU-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C=CCC1(C(=O)N(C)Cc2ccc(C)s2)CCCCC1 1358018207 QVIUQADNNHHRFQ-UHFFFAOYSA-N 291.460 4.542 30 10 CJEE C=CCCCCCCNC(=O)CCc1ccc(Cl)cc1 1436189402 HDQLCDJJOZBDMR-UHFFFAOYSA-N 293.838 4.525 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CC1CCCCCC1 1456309569 SMDHUPTUIIUHTC-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)[C@@H]2C=CCCC2)c1 1459802120 SJKZAVXYQGAGDR-HXUWFJFHSA-N 287.406 4.783 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)nc1Cl 1460412033 SRCHHACXIFHVNR-AAEUAGOBSA-N 299.245 4.613 30 10 CJEE C=CCC1(CN[C@@H]2CCC(C)(C)C[C@H]2C)CCCC1 1462235755 WMDHUHIDVMVBOE-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc(F)c1F 1462479750 JBALVLUKPAZQRH-ZDUSSCGKSA-N 267.363 4.579 30 10 CJEE C=CCCCCCCCCN[C@H]1CCCC12CCOCC2 1474558166 XFEGYWUYIAMRAF-SFHVURJKSA-N 293.495 4.842 30 10 CJEE C=CCCCCCCNC(=O)C[C@@H](C)c1ccc(F)cc1 1525671275 BRUUDVLXZDZFJF-OAHLLOKOSA-N 291.410 4.572 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1CC 1528291271 RRRSPVRXBQMBNV-GUDVDZBRSA-N 299.458 4.506 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1oc2ccccc2c1CC 1531440757 CDLWYOBKXGZGHZ-UHFFFAOYSA-N 299.414 4.717 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCCC1 1535474677 MIFMVYJGFATHKV-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@H]2CCCC[C@H]2C)c1 1537410068 XBWSDFILXAHMFI-GDBMZVCRSA-N 271.404 4.875 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2C(F)F)c1 1537414261 IWTGCDWSLXIWBV-UHFFFAOYSA-N 287.309 4.910 30 10 CJEE C=CCCCCN[C@@H](CCC)c1ccc(F)cc1F 1559681432 HTJUYNXXSLWGGD-INIZCTEOSA-N 267.363 4.752 30 10 CJEE C=C[C@@H](OC(=O)C1CCC(C2CC2)CC1)c1ccccc1 1587283108 LNAOYBIQSHTUHW-VMWRSERWSA-N 284.399 4.673 30 10 CJEE C=CCCCCCNC(C)(C)c1ccc(CC)cc1 1616737662 CXWOATJYFAQIHM-UHFFFAOYSA-N 259.437 4.820 30 10 CJEE C=CCCC(C)(C)CNC1CC(C)(c2ccccc2)C1 1621473997 GXUFIZRBNBKJGI-UHFFFAOYSA-N 271.448 4.689 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H]1C[C@H]1c1cccc(F)c1 1644389342 PQGJXKIQGJWKEX-HKUYNNGSSA-N 299.364 4.509 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cnc2c(F)cccc2c1 1651322485 SVMGEXRELZHBQK-MAUKXSAKSA-N 298.405 4.598 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 1656684802 DOXSZCZJAZZDCE-DOMZBBRYSA-N 283.337 4.540 30 10 CJEE C#Cc1ccc(CNc2ccccc2OCCC(C)C)cc1 1657591937 KVCZTAQCBGCQBO-UHFFFAOYSA-N 293.410 4.705 30 10 CJEE C=C1CCC(CNC/C=C/c2c(C)cc(C)cc2C)CC1 1657954864 LMKSBHSPQMMTCU-AATRIKPKSA-N 283.459 4.961 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C1CC1)C(F)(F)F 1658269416 AQAFAAAFWBVVEK-DGCLKSJQSA-N 265.363 4.666 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1658273832 UKMPSCJBPFEYCP-MTHXSQLBSA-N 275.480 4.927 30 10 CJEE C=CCC1(NC[C@H](CC)c2ccccc2)CCCC1 1660279918 BQPXJKGSWCTVBV-INIZCTEOSA-N 257.421 4.659 30 10 CJEE C=CCCCCC[C@@H](C)NCC[C@@H]1CCC(F)(F)C1 1660868486 ZBXRPLYSFAGAFW-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(F)c(C)c2)CCCCC1 1668233326 VHNPYBKYIHNAED-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1cccc(Cl)c1 1874576437 MXRQWAJMWMCEEK-ZHACJKMWSA-N 298.769 4.801 30 10 CJEE C=C[C@@](N)(CC1(C(C)(C)C)CCC1)c1ccccc1 1876777106 KBGYCEZCKXTYCP-GOSISDBHSA-N 257.421 4.633 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2(C)CCSCC2)CC1 1879836418 QXRCUIXKYONXHE-MRXNPFEDSA-N 281.509 4.634 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2cc(F)ccc2Cl)C1 1883573557 LRMZWANPTDWONU-CYBMUJFWSA-N 281.802 4.657 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 1886641971 JCMUZTQZLFQJIO-ACDBMABISA-N 283.459 4.891 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)c1ccc(C(C)(C)C)s1 1887474850 JGFCYWMQBYYPDA-KBPBESRZSA-N 277.477 4.746 30 10 CJEE C#CC[C@H](C[C@H](NC)c1cc2cscc2s1)C1CC1 1887489989 QYQJETKOCXCEIQ-OCCSQVGLSA-N 289.469 4.663 30 10 CJEE CC(C)CN(C[C@H](CS)C(C)C)C1CCCCCC1 1888617794 BGMPSRNAHZQGGP-MRXNPFEDSA-N 285.541 4.869 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C1(C)CCC(C)CC1 1888704815 DACCVDBIJGLTBT-ZCDVPAHGSA-N 257.421 4.504 30 10 CJEE 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292.370 4.559 30 10 CJEE C=C1CCC(C[C@]2(N)CCC(F)(F)CC2(C)C)CC1 2108726666 LOMNXKACUPYWEU-OAHLLOKOSA-N 271.395 4.666 30 10 CJEE CC(C)(C)C#CCN[C@@H]1CCCCC12CCCCC2 2110069959 LNWMDOCSDBJKLE-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@@H](N)c1ccncc1C(F)F 2110666614 AJWBXLPWPQGOND-CQSZACIVSA-N 270.367 4.770 30 10 CJEE N#CC1(C[C@@H]2[C@H]3CCCCC[C@H]32)C[C@@H]2CC[C@H](C1)S2 2111058722 OCJLFFJRVAZEKR-FLBPKRMOSA-N 275.461 4.771 30 10 CJEE C=CC1(C[C@H]2CC(C)(C)CC[C@@H]2CNCC)CCC1 2111719929 FYVLADRJALBYAJ-HZPDHXFCSA-N 263.469 4.785 30 10 CJEE CC1(C)CCC[C@](C=O)(CCOC2CCCCC2)C1 2112210933 HZMCIPGDYRZKNG-KRWDZBQOSA-N 266.425 4.511 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cnc(Cl)cc2C)C1 2112912933 RHOJNDPLLZMDGD-CZUORRHYSA-N 276.811 4.696 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1 2116658955 UXMLGJLHOZYAOO-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=C[C@H](C)C[C@H](CCCc1ccccc1)NCCC 2116659215 XHYACRLQCRCPPM-WMZOPIPTSA-N 259.437 4.590 30 10 CJEE N#C[C@@]1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCC12CC2 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CCCCCCCC(=O)[C@@H]1CCOC12CCCCC2 2133780347 SQQGLZSAOYPELU-HNNXBMFYSA-N 266.425 4.655 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2134659794 GNSYZPCBFXUFPV-LHKMKVQPSA-N 262.437 4.988 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccccc1CC 2136478848 KQSDTENDWUVLBB-HNNXBMFYSA-N 259.437 4.892 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1 2138954559 NGOIVACSCDPUPR-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@H](O)c1cc2c(s1)CCCC2 2138956823 OXTOSNAGPLHLLV-HNNXBMFYSA-N 276.445 4.634 30 10 CJEE CCCCCC#CC[C@@H](N)Cc1ccc(Cl)cc1Cl 2138962084 DGKLWIPAICPTMM-OAHLLOKOSA-N 298.257 4.837 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@H](C)CC(F)(F)F 2138988545 WWDJGZFFBPBZPP-KBPBESRZSA-N 277.374 4.527 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@H](C)CC(F)(F)F 2138988546 WWDJGZFFBPBZPP-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE CCCCCC#CC=C1CCCNC12CCCCC2 2139463786 RIDBEWOZGBJDPH-UHFFFAOYSA-N 259.437 4.583 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C(F)(F)C12CC2 2141918220 CSYCYMALQHJRQQ-KBPBESRZSA-N 271.395 4.536 30 10 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N#Cc1cc(F)c(Cl)cc1N[C@H]1CCCC[C@H]1C1CC1 2184457554 FNPIQQXXMAAORG-WFASDCNBSA-N 292.785 4.731 30 10 CJEE CC[C@@H](C1CCCC1)N(C)[C@@H](CC#N)c1ccccc1 2185842387 ZHPCDOMDTHVTMX-ROUUACIJSA-N 270.420 4.542 30 10 CJEE CC(C)(C)C1CCC([C@@]2(C=O)CCCOC2(C)C)CC1 2187037950 WRQYTHHVIBZNQU-JMLCCBQJSA-N 280.452 4.613 30 10 CJEE CCCCCCCC[C@@H](NN)c1scc2c1CCCC2 2187129723 FNXVGDIYHKOUNI-MRXNPFEDSA-N 294.508 4.882 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](C)c2ccc(C)cc2)c1 2188844963 NHPBJCSVDPZADY-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC12CC(F)(F)C2 2189394643 JDRLJHVHTHBWPO-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE CC(C)(CC(F)(F)F)C[C@]1(C#N)CCOC12CCCC2 2190320055 MKFLTVSNDIPTHH-ZDUSSCGKSA-N 289.341 4.598 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)C[C@H]1CC[C@H](CC)CC1 2193034055 GCWZXDFVUZQQPL-XLAORIBOSA-N 283.500 4.642 30 10 CJEE CC#CCCC[C@@H](NCC(C)C)[C@@H](C)c1ccccc1 2194058982 LAIGIJACKCAINM-PKOBYXMFSA-N 271.448 4.598 30 10 CJEE CCCCCCCCCCCCN1CC[C@@]2(CCO2)C1 2195924385 QTFVXACHHATGCO-GOSISDBHSA-N 281.484 4.772 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1cc2c(s1)CCCC2 2197138618 ZCKZAENKASUCQM-GOSISDBHSA-N 283.440 4.601 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H]1C[C@@H]1C(C)C 2200492437 SKPFFJCBDJQHAX-ZACQAIPSSA-N 282.468 4.739 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@H]1C[C@@H]1C1CCCCC1 2200636801 WTTYKVMVOCNAMZ-INDMIFKZSA-N 273.464 4.776 30 10 CJEE CC[C@@]12CC[C@@](C[C@@]3(C#N)CCCC(C)(C)C3)(CO1)C2 2201950633 VMPRMWWSGKFYOI-SQNIBIBYSA-N 275.436 4.836 30 10 CJEE CCCCCC#CC[C@@H](O)c1ccc2ccccc2c1 2203780280 DGEKXJLUYFZFRB-LJQANCHMSA-N 266.384 4.847 30 10 CJEE CCCCC#CC[C@H](NCCC)c1csc(C2CC2)n1 2203809111 CNSGXFMEQFLJOT-HNNXBMFYSA-N 290.476 4.645 30 10 CJEE CCCCCC#CC[C@]1(CNC2CC2)CCCC12CC2 2203811250 UZMXHMDTHXARCT-LJQANCHMSA-N 273.464 4.663 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@]1(CC)CC1(F)F 2203818811 IQAMVTYFDUIWBA-CVEARBPZSA-N 285.422 4.764 30 10 CJEE C#C[C@@H](N[C@@H]1CCC[C@H](C(C)(C)C)CC1)C1CCCC1 2204030082 AELGCAYAIVPBNU-RCCFBDPRSA-N 275.480 4.763 30 10 CJEE CCCCCCC[C@@](C)(N)c1nnc(C2CCCC2)s1 2204844894 SEWOWSKQLSMWDI-MRXNPFEDSA-N 295.496 4.730 30 10 CJEE C=CCCCCCCN(C)C1C2CC3CC(C2)CC1C3 2206898610 SRMLRIRSLPEOPR-UHFFFAOYSA-N 275.480 4.879 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CC[C@H](COC)C1 2207376020 IGIMJCXJHZKGEZ-DLBZAZTESA-N 280.452 4.925 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)[C@@H]1CCCS1 2207379392 YXVJPWPMXMSKEZ-IRXDYDNUSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2207381230 GXUCBYHVQUJKFB-BPJBSSMVSA-N 275.480 4.879 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1([C@@H]2CCCO2)CC1 2207402041 HVEHROJKZDWHJQ-SJORKVTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)c1nn(C)cc1Cl 2207405940 UVPCUISOJXTVTD-UHFFFAOYSA-N 296.842 4.953 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1cc(Cl)n(C)n1 2207406654 ZKLXAVPKDLEDRO-AWEZNQCLSA-N 297.874 4.770 30 10 CJEE C=CCCCCCCCCC[C@@H](N)COC1CCCC1 2207413248 JARUPUFXPJBKCZ-QGZVFWFLSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@H](NCCC)[C@H]1CCOC1 2207436120 JTMGTMORQQJFLX-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](CCSC)NCC 2214617635 JEYXVDFFIDMWSB-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=CCSc1ccc(Cl)cc1CN[C@H](C)CC 2217179133 GTPKJBVZYSIQDJ-LLVKDONJSA-N 269.841 4.506 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC(C)(F)F 2217291254 YSTLAXGBAWTWHL-CYBMUJFWSA-N 250.373 4.923 30 10 CJEE N#C[C@@H](c1ccc(F)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 2218217304 PHMFLKVTHOHGSN-UKJIMTQDSA-N 263.743 4.522 30 10 CJEE C=CCCCCCCCC(=O)c1ncccc1Cl 2220091272 FFFLBKGYLKNYHF-UHFFFAOYSA-N 265.784 4.834 30 10 CJEE C=CCCCCCCCC(=O)[C@H](C)OC(C)(C)C 2220098812 YGEUXUYNXXGCDC-AWEZNQCLSA-N 254.414 4.676 30 10 CJEE C=CC[C@@H](CCC1CCCCC1)CN[C@@H](C)CC 2223539610 OPRQDMIZGJPUTE-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(C)(C)C 2225321223 HPKUNEGLYQEREZ-HZMVEIRTSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@H](C#CP(C)(C)=O)NCC 2225442026 JASNUKHJYZCLEQ-MRXNPFEDSA-N 285.412 4.689 30 10 CJEE C=CCCCCCCCCO[C@H](C)CCNC(C)C 2225685093 PWKAAKGTLNGXFP-QGZVFWFLSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ncccc1C 2227274915 LGQUOMGBYACGMM-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE C=C1CC(C[C@H](NCCC)C2(C)CC3(CCC3)C2)C1 2228269172 GJJSPVAZCIXFHH-INIZCTEOSA-N 261.453 4.681 30 10 CJEE CCCCCCCO[C@H](CN[C@H](C)CC)CC(C)C 2230187618 IJSDIHBHDIEOFV-SJORKVTESA-N 271.489 4.776 30 10 CJEE CC(C)(C)C#CCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1 2230503929 ZFXSXEHVBGJUQL-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CCCCCCCOCC1(CNC(C)C)CCCC1 2230899187 ZLFZWYWKZTWMCU-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCO[C@H](C)[C@@H](C)NCC 2231079991 NVWQQJQZHRVEKW-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@H]1CC2CCC1CC2 2231487123 PQSAKTYSIIGITM-MNAZLIDISA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)C1CC2(C1)CC(C)(C)C2 2231548387 IXVJFVPSKSMPET-GJZGRUSLSA-N 263.469 4.783 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(C2CCC2)cc1 2231683348 AKCAXJHGPJWOOH-GOSISDBHSA-N 255.405 4.538 30 10 CJEE CC#CCCC[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2233642360 MCWAHNQBFXHNOX-JENIJYKNSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cnc(C(C)(C)C)s1 2233781155 FIWQXKCYZMMSPR-CYBMUJFWSA-N 292.492 4.531 30 10 CJEE C=CCCCCCCCCOCc1cc(C)cnc1F 2234044112 SRWCORXSGCBORH-UHFFFAOYSA-N 279.399 4.962 30 10 CJEE C=CCCCCCCC[C@](N)(CC)c1cccc(C)n1 2235518076 COZAJOSMRPSBGK-GOSISDBHSA-N 274.452 4.871 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc2S1 2235523962 LBCDXXCPRFVKIP-AEFFLSMTSA-N 289.488 4.947 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cccc(COC)c1 2235531686 BTNXHEHKLWLXLG-GOSISDBHSA-N 276.420 4.783 30 10 CJEE C=C1CCC(C[C@](C)(O)c2ccc(Cl)c(OC)c2)CC1 2235816540 ACTWNKCPWHYINK-KRWDZBQOSA-N 294.822 4.693 30 10 CJEE CC1(COC[C@H](CS)c2ccccc2)CC2(CCC2)C1 2236530247 QCBFJGGXVHOELT-MRXNPFEDSA-N 290.472 4.687 30 10 CJEE CN(CCCC(C)(C)C#N)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238154362 DBTOVZUPZGITRY-CVEARBPZSA-N 278.484 4.853 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)[C@H](C)CC(C)(C)C 2239456241 IYFHOLFKOBXSRI-RHSMWYFYSA-N 291.866 4.742 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CN[C@H](C)CC)CC(C)C 2239490096 NSUVCEPYLUNKCL-KURKYZTESA-N 283.500 4.941 30 10 CJEE C=C[C@H](CCCCC)OCCC(C)(C)CNCC(C)C 2239502451 ODMOBXVGVUNZBL-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](O)CC2(CCC2)C1 2239548457 ZWKBSUSORULQLB-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1c(C)cc(C)cc1C 2240092782 DRIKPSRPGDPZGK-ZWKOTPCHSA-N 273.464 4.735 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@]1(C)C(C)C 2240577545 ZYGNIVJRFCARCP-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](C=C1CCC1)NCC 2240639693 IEWXBQPCQNUXLP-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCCCCCCCCOc1ccc(CN)c(F)c1F 2240639694 IFIQMLKHGIKYIQ-UHFFFAOYSA-N 285.378 4.553 30 10 CJEE C=C(C)CCCCc1sccc1Br 2241946102 ANZALBJMHTZDKN-UHFFFAOYSA-N 259.212 4.800 30 10 CJEE CCCCCCCCC[C@@](C)(Br)C#N 2242456204 OHCSIJZYQVVHDP-GFCCVEGCSA-N 260.219 4.804 30 10 CJEE N#Cc1cccc(Br)c1SCCC1CCC1 2244110717 FBANVHXDHCORHJ-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE C=C(C)CCCCN(C)Cc1cccc(Br)c1 2250138304 CCJGFWXBKMDSET-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCC(C)(F)F)C1 2256447348 ZYRQTXGTJMRZDT-JHJVBQTASA-N 275.408 4.873 30 10 CJEE C=CCCSc1ccc(C)cc1CN[C@@H](C)CC 2258979640 XATLANDIJZHGDM-AWEZNQCLSA-N 263.450 4.551 30 10 CJEE CC(C)c1ccccc1Nc1c(F)cccc1C#N 2265769912 PMJHGNPWLLNBFF-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCC[C@@H](C)C2)cc1 2268243245 PVZFSBZWHSREHN-CRAIPNDOSA-N 258.405 4.577 30 10 CJEE CCCC[C@@](C#N)(CC)c1cc(C(C)(F)F)ccn1 2268760337 DDNIGSCBHHEVHO-OAHLLOKOSA-N 266.335 4.555 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1nccc2sccc12 2268942272 BEOXRIOMRQAVIV-JSGCOSHPSA-N 274.433 4.549 30 10 CJEE C=CCCCCCCCSc1nc(C)c(CNC)s1 2271491801 PMKYIKJEVTZNAH-UHFFFAOYSA-N 298.521 4.790 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC2(CCC2)[C@@H]1N 2271589610 HDBICDZTBWHZHE-HZPDHXFCSA-N 281.509 4.906 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@@]1(C#N)CCCC12CCC2 2271710077 FMXSGVBYNHYEDH-WMLDXEAASA-N 263.425 4.692 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(C)c(F)c1 2271781732 RDMGLBRQTICFAV-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cccc(C)c1)NCC 2271836508 HMPUOLSRHWHGJX-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C)C[C@@H](C)S1 2272259786 GEXPSBYHGQJUIV-SOUVJXGZSA-N 284.513 4.698 30 10 CJEE O=C[C@]1(C[C@@]23CCCC[C@H]2CC3)CCCCC12CC2 2273406466 XJIXDKYOQVJXRE-XYJFISCASA-N 260.421 4.886 30 10 CJEE CC=C[C@](C)(CCCCCCCC)OCCC(=O)O 2275747185 XREDHPJILOUWQW-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=C([C@@H](OCCN)c1cc2sccc2s1)C(C)(C)C 2276571607 DWXZMHKXKVOPCA-CQSZACIVSA-N 295.473 4.582 30 10 CJEE CCCCCCC[C@H](OCCN)C(CC)(CC)CC 2276783712 FXGQTZMCLYRKNP-INIZCTEOSA-N 271.489 4.907 30 10 CJEE SCCCCCCCN1CC[C@@H]2CCCCC[C@H]2C1 2277503849 ZPZJINXEJPEELV-IRXDYDNUSA-N 283.525 4.769 30 10 CJEE C=C1CC(C[C@H](NC)c2sc(C(F)(F)F)cc2C)C1 2277674965 DAEYRVLARNMQLI-NSHDSACASA-N 289.366 4.692 30 10 CJEE CCCCC#CC[C@@H](N)c1sc(C(F)(F)F)cc1C 2277881581 QQXZJIKYFZYEKG-LLVKDONJSA-N 289.366 4.659 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C2CC2)CCO1 2278126399 CSCAKXFVQOGEOY-IRXDYDNUSA-N 267.457 4.632 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(CC)NC(C)C 2278261949 XLJBPKRYBFFKID-CVEARBPZSA-N 284.513 4.606 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2279725065 DETUCYGOVHNATO-YJNKXOJESA-N 291.401 4.936 30 10 CJEE Cc1cc(C#N)ccc1NCC[C@@H]1CCCCC12CC2 2279746047 BRGTVVVUZBNELF-INIZCTEOSA-N 268.404 4.639 30 10 CJEE O=C(C1=CCCCCCC1)[C@H](O)c1csc(C2CC2)c1 2283057218 SYLLUBYIQLEDSL-QGZVFWFLSA-N 290.428 4.509 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(N)CC=CC#CC(C)(C)C)c1 2284085307 CEEFCQZBWORHLC-SFHVURJKSA-N 289.850 4.818 30 10 CJEE CC1CC2(C1)CC(C#N)(c1cccc3ccccc13)C2 2285322402 SHSLXUUXFDKPBV-UHFFFAOYSA-N 261.368 4.811 30 10 CJEE C=CCCCSc1c(F)cc(CNC2CCC2)cc1F 2287196553 WPGZRIRPUHOANB-UHFFFAOYSA-N 297.414 4.665 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@H](N)c1cccc(C#N)c1 2287921676 ATTDAVGYEDZSDB-QAPCUYQASA-N 272.436 4.801 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1CC2 2289005501 PPVXSIQMPNYBPD-FGTMMUONSA-N 278.484 4.705 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc(C)c(F)c1F 2289663617 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2294184326 YOLXEEVRDQORAQ-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@@H]1CCCC[C@H]1CC 2294401453 ABTVTYMWAXELAG-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCC[C@H](C(C)C)[C@H](C#Cc1ccccc1Cl)NCC 2295210963 FEXCKLWEAVAFCM-AEFFLSMTSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@H](C)N1CCN[C@@H](C)C[C@H]1C 2295513692 AHUCXWQADVASDU-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE C#CCC[C@@](C)(CCCCCCCCC)OCCCN 2295675590 CXGJYTCJKFTDIE-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@H](COC)C1 2295676146 IISNNFDVORZLOO-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C[C@H]1C[C@@H]1C)NC 2295679804 SXLSMRXLBCDZCR-MHORFTMASA-N 283.500 4.512 30 10 CJEE C=C(C)CN(CC)CCCCCCCCCCCNC 2296292276 WYMRGGNEJVHNNB-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE O=C1C=C(c2ccccc2)C[C@H](C=Cc2ccccc2)C1 2297463833 NIARZVSDSHNPGJ-KRWDZBQOSA-N 274.363 4.763 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1cccc(Br)c1 2298900568 RWIBFRNNBQPILV-LBPRGKRZSA-N 294.236 4.621 30 10 CJEE 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281.399 4.622 30 10 CJEE CCCCCC#CCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2333166624 NXZDLRCNJFRQMA-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCCC 2333471761 HFEXNIWKRUMCKL-XJFOESAGSA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1cccc2ccccc12 2335207378 RXBRTMZWQQIVLW-SUMWQHHRSA-N 271.429 4.537 30 10 CJEE C=C(C)CC[C@H](C)NCc1cc(F)ccc1C(F)F 2338015370 NRMYDCWJGJCVIJ-NSHDSACASA-N 271.326 4.598 30 10 CJEE CCCC[C@@H](C)CC[C@H](C#Cc1cccs1)NCC 2338250804 XJEFFCKFJQYSMX-HZPDHXFCSA-N 277.477 4.684 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(F)cc1C1CC1 2339205324 PYQGPZCOGSITTQ-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCC12CCC2 2339251409 RXWUJOCTHFBXKP-XLMAVXFVSA-N 255.405 4.843 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340265771 RKRMQAFXOKNTBJ-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc(C)cc1SC 2342309357 CBFIAHZONADEFE-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE O=C[C@]1(CC[C@@H]2CC[C@H]2C2CC2)CCCCC12CC2 2342387526 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CCCCCCCCC[C@@H](C[C@@]12CCOC[C@@H]1C2)NC 2357374333 SUNSBCHOXSNDKI-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@H](C)NCCC)cc1 2360214622 KOGHMADJQYMAHY-HNNXBMFYSA-N 273.420 4.647 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2)cc1C(F)(F)F 37306380 PYPAMFVCSBDIQS-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CC(C)c1ccc(C(=O)[C@H](C#N)c2ccccc2Cl)cc1 44268277 CJUMOMPFCNMVJF-MRXNPFEDSA-N 297.785 4.953 30 10 CJEE Cc1ccc(C)c(OCC[C@@H](C#N)c2ccccc2)c1C 57684635 YPVWFPGLJKQSRF-SFHVURJKSA-N 279.383 4.688 30 10 CJEE C[C@H](c1ccccc1)[C@H](C#N)c1c(F)cccc1Cl 57746293 HWAQYSUKHHFHOY-YPMHNXCESA-N 273.738 4.890 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)Cc1ccccc1 59090503 VHTIVMFAKZFPKA-IBGZPJMESA-N 290.495 4.586 30 10 CJEE CCCc1oc(-c2ccccc2O[C@H](C)CC)cc1C#N 77081290 ZLDULRDXMKPCHA-CYBMUJFWSA-N 283.371 4.948 30 10 CJEE Cc1cccc(C(C)C)c1N[C@@H]1CCCC[C@H]1C#N 84110190 QRHZPWWJDPKYLP-GOEBONIOSA-N 256.393 4.613 30 10 CJEE CCC1CCC(C#N)(CCOc2ccccc2OC)CC1 88415883 SZJWPQKNTQHTBD-UHFFFAOYSA-N 287.403 4.574 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc2ccccc2c1 92129542 QKGJUVXUIBDVSU-GOSISDBHSA-N 253.389 4.847 30 10 CJEE N#CCc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 93429458 OFCDCWNUEUFRHL-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE CSc1ccccc1OC[C@@H](CS)c1ccccc1 94585196 PACBUILQHNZAFP-AWEZNQCLSA-N 290.453 4.501 30 10 CJEE CCC(CC)(CS)COC1C[C@@H](C)C[C@H](C)C1 94585913 ASXPKMGEIZOSMW-STQMWFEESA-N 258.471 4.564 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)nc2ccccc12 97219390 UPXXACVFQFPIAI-SFHVURJKSA-N 282.431 4.940 30 10 CJEE CCCCCCCCCCCC[C@H](COC)NCC 103933976 CQLFBEHHPUSJKF-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)ccc1C 109740084 XZVGOWZEGKVXOV-MRXNPFEDSA-N 251.389 4.885 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCC[C@H]1C 109901101 PNMQYNXPSSSOOZ-KGLIPLIRSA-N 261.434 4.955 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1[C@H](C)NC 110096363 NQJQFHHPAXLGQR-ZDUSSCGKSA-N 283.843 4.970 30 10 CJEE CCCCCCCCCN[C@@H](C)c1ccc(C#N)cc1 110164344 FUCFNUOFYLCZBA-INIZCTEOSA-N 272.436 4.959 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCCc2ccccc2C1=O 110325769 NPRJBFILBFKNQE-KRWDZBQOSA-N 286.415 4.751 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1[C@H](C)O 110369723 HGUGHDWQARHSJZ-LBPRGKRZSA-N 270.800 4.743 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)(C)C)NCC1(C)C 114063553 AQAMVVFQDUYTQG-QGZVFWFLSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCSC[C@H](C)C(=O)O 114142257 BVSZUSBPRLFOKT-ZDUSSCGKSA-N 260.443 4.581 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCCCCCS)C2 124520351 MFWHJOQSEDQNLV-LZWOXQAQSA-N 270.482 4.708 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2ccccc2s1 125742006 CBHCGNJFPRNSKR-CQSZACIVSA-N 259.418 4.908 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(Cl)c(C)c1 130043749 JJPUEJIVRNADBD-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(CCCO)c1 139017419 DZHRAJPIXHLMKW-MRXNPFEDSA-N 277.452 4.772 30 10 CJEE CCCCCCCCC[C@@H](N)Cn1cnc2ccccc21 139388055 ZHSJIKCSKIOGFS-MRXNPFEDSA-N 287.451 4.504 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 163907980 FCMUARGYZPOPKZ-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 164936548 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UHCPUICGBXFHCX-HUUCEWRRSA-N 296.336 4.535 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C 251955052 XDSFZKNHCNYQFZ-CKEIUWERSA-N 270.420 4.724 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@H]1C 253044875 OMCULHXLHOQKMD-BBWFWOEESA-N 269.473 4.530 30 10 CJEE N#CC1(c2ccc(C(F)(F)F)cc2)CCCCCC1 311734257 WRJJGVJPIKQBLK-UHFFFAOYSA-N 267.294 4.821 30 10 CJEE C=CCC(C)(C)CN[C@H](C)CC(C)(C)c1ccccc1 312510338 DHQMORNRDVEIEW-MRXNPFEDSA-N 273.464 4.935 30 10 CJEE CCCCCCCCC[C@@H](Cc1csnn1)NCCC 312648458 SYAJXAPVCMUQHV-HNNXBMFYSA-N 297.512 4.590 30 10 CJEE C[C@H]1C[C@@](C#N)(Nc2ccc(Cl)cc2)c2ccccc21 313458042 CWZOYPKZOSUJQL-SJCJKPOMSA-N 282.774 4.678 30 10 CJEE CC(C)COc1ccc([C@@H](C#N)[C@@H](C)C(C)C)cc1 320257624 YSTLBEYUTGCHOT-YOEHRIQHSA-N 259.393 4.621 30 10 CJEE C=CCC(C)(C)COc1cc(Cl)c([N+](=O)[O-])cc1C 381089221 CXIPJUYMEIWBSW-UHFFFAOYSA-N 283.755 4.538 30 10 CJEE C=C(C)CCOCc1cccc(CNC(C)(C)C)c1Cl 381676745 LSFOJMVYFQMJCZ-UHFFFAOYSA-N 295.854 4.711 30 10 CJEE C=CC(C)(C)CN[C@H]1CCCC[C@H]1c1ccccc1 384815206 ATMAZSZTQCCYLR-IRXDYDNUSA-N 257.421 4.515 30 10 CJEE CC(C)CC[C@H]1CCC[C@H]1NCC1CCC(C#N)CC1 442851377 FZXRKLAJINWICW-OPQOLIRYSA-N 276.468 4.511 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H]1CCCCC1(C)C 686695739 OZHYRSZIARDYRJ-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CCC(F)(F)CC1 686700653 CLQQHEQHOBUPRW-INIZCTEOSA-N 285.422 4.764 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)s1 688340530 CIADNGBTMIXLLH-CQSZACIVSA-N 291.460 4.836 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](CC)c1ccccc1O 692215299 OOFFAKZXURZEBN-DJIMGWMZSA-N 273.420 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](CC)CC(F)(F)F 692221577 RNFCOWMSOBVKLW-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)oc1C 692274700 DSQCEOKQHFDRIZ-LXZKKBNFSA-N 261.409 4.682 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(COC)cc1 693433441 DSHQJPUOOFYMIU-SFHVURJKSA-N 277.452 4.974 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H](O)CC(C)(C)C1 693829982 IJMUOMIZSIJWAO-SJORKVTESA-N 283.500 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CC(C)C[C@@H](C)C(=O)[C@H](C#N)c1ccc(C(C)C)cc1 709130734 WEFVSMBLVFYMKU-RHSMWYFYSA-N 271.404 4.668 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H]2C[C@H](C)CC(C)(C)C2)c1 709181299 DBHLVXCRMLDVTE-GOEBONIOSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)ccc1OC 710639760 DJIYIHOSPXVZEZ-ZDUSSCGKSA-N 288.218 4.532 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCCC(C)(C)O2)C1 714370185 LVJLMQZJDFALLD-VYDXJSESSA-N 263.425 4.834 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C(F)(F)F)cc1 715706691 TTXBHFPOFHLPCZ-DOMZBBRYSA-N 285.353 4.958 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C 715720511 NODSBGBABLCPSV-QBYUYEEZSA-N 251.458 4.639 30 10 CJEE CC[C@@H](Nc1cc(F)cc(C#N)c1)c1cccc(C)c1 718566384 XGUQSBGOWGUVQX-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE COc1cc([C@H](C#N)C2C[C@H](C)C[C@@H](C)C2)ccc1C 719378220 SFQDIWIQUFZRAJ-XNJGSVPQSA-N 271.404 4.683 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 720811665 UARPRWBMCZYQQT-WHRQZHCMSA-N 278.436 4.510 30 10 CJEE 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MXZLVAQZHUCSNJ-INIZCTEOSA-N 277.452 4.576 30 10 CJEE CCCCCCCCCC[C@H](CSCC)NC 114861198 YAKJYSALCROTDX-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCNCc1cc(C)c(C)s1 114940529 OGVNUWYSLIKQTA-UHFFFAOYSA-N 253.455 4.815 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCN(C(C)C)CC1 115654815 JTXZNPCCUZSLNF-GOSISDBHSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@H](N)C(CC)(CC)N(CC)CC 118169908 MLLPGPYFHTYQLW-KRWDZBQOSA-N 284.532 4.965 30 10 CJEE CC[C@@H]1CCCCCN1c1ccc(C(F)(F)F)c(C#N)c1 124985786 SIDZKSQAOQPTCX-CYBMUJFWSA-N 296.336 4.736 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccc1Cl 125668802 RFHVYQPWUKCPIX-JSGCOSHPSA-N 262.784 4.592 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C)cc1Br 125698967 QGIBUHTXIFZUSO-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C#CC[C@@H](CC)N[C@H](CCCCC)c1ccccc1 129815454 JDLMGXLHWOOKFX-QZTJIDSGSA-N 257.421 4.700 30 10 CJEE CC1(C)CC(N[C@@H]2CCCCC[C@@H]2C#N)CC(C)(C)C1 130884866 RCTNQTDBCDJLDN-GDBMZVCRSA-N 276.468 4.653 30 10 CJEE Cc1cc(Cl)c(NCCC(C)(C)C#N)cc1Cl 132126938 LJVBXSFAZDZDAZ-UHFFFAOYSA-N 271.191 4.654 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)[C@H](CC)C1 147521276 FUUYAHHQVOWWBL-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CCCCCCC[C@H](N)c1ccccc1OC(F)(F)F 163632505 OQUHFPZBJUFLJP-ZDUSSCGKSA-N 289.341 4.946 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc(F)c(Cl)c1 163725000 MXACBOHHXVXFSO-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCCNc1cc(N)nc(C(C)C)n1 163913974 VQJKKBWNCOFPRZ-UHFFFAOYSA-N 292.471 4.735 30 10 CJEE C=C(CC)C[C@@H](NCC)c1csc(Br)c1 164151108 IWBDBQHVDGPLSI-LLVKDONJSA-N 288.254 4.518 30 10 CJEE C=C(C)CC[C@H](NCC)C1(c2ccccc2)CCCC1 164581228 GOJKGMYCHYGNKS-SFHVURJKSA-N 271.448 4.833 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(OC(F)F)c1 167723535 UXFFMSKVTWWTLW-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](OC)c1ccccc1 167854611 SBGIFLLGLNQZOD-QZTJIDSGSA-N 277.452 4.842 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C(C)C 189902625 QVZPOEVXYQNCLD-IAGOWNOFSA-N 285.431 4.769 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(OC)CCC[C@@H](C)C1 227668776 LIXNMUYLWFQWSI-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](NC)c2ccc(F)cc2O1 229331620 VFNMUPZZDBWTDS-FUHWJXTLSA-N 293.426 4.988 30 10 CJEE CCCCCCCCC(=O)c1cccc(OC)c1F 229377514 LXCMKMVLRKHIEO-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1ccc(F)cc1 232981903 BNUQPXRAWCUPMJ-QGZVFWFLSA-N 280.431 4.706 30 10 CJEE C=CCC[C@H](NCC)c1ccc(F)c2ccccc12 233566270 BSYLBROHJPUSMS-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE CCO[C@]1(C(=O)C2=CCCCCCC2)CCC[C@@H](C)C1 233786143 KHBAFCOPOVOQST-CRAIPNDOSA-N 278.436 4.822 30 10 CJEE CC[C@](C#N)(CCCS[C@H]1CCC[C@@H](C)C1)NC(C)C 234168766 SWGMQRGACIGGMS-IXDOHACOSA-N 296.524 4.749 30 10 CJEE C=CCCCCCN[C@@H](C)c1cccc(Br)c1 235511012 WZYOUNXHVDNPQF-ZDUSSCGKSA-N 296.252 4.846 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cc(Cl)ccc1Cl 236214306 AIIYFNUORUNSQE-CQSZACIVSA-N 295.144 4.809 30 10 CJEE C=CCCCCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 236548219 RSKIDJRIFTXQHY-OAHLLOKOSA-N 286.337 4.745 30 10 CJEE COc1ccc(C=Nc2cccc(C)c2)c2ccccc12 254382625 HHGWQEHNHCQBTI-UHFFFAOYSA-N 275.351 4.907 30 10 CJEE CC1(C)OB([C@H]2C[C@H]2c2cccc3ccccc23)OC1(C)C 307522949 YIBKTSKVRUUIGK-IRXDYDNUSA-N 294.203 4.790 30 10 CJEE C=C[C@@](C)(CCCOCc1ccccc1)CNC(C)(C)C 309981869 VIKMNHOPULNUNC-IBGZPJMESA-N 289.463 4.564 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2cc(Cl)cc(Cl)c2)O1 310420410 QMNCQIPZQIABOP-QWHCGFSZSA-N 270.159 4.517 30 10 CJEE C=CCCCCC[C@@]1(C#N)CCCc2ccccc21 311636845 WPLBFPQAJGYNOB-SFHVURJKSA-N 253.389 4.921 30 10 CJEE C=CCC(C)(C)CNc1ncc(C(F)(F)F)cc1Cl 311710982 NSRPFZAJAOKMJV-UHFFFAOYSA-N 292.732 4.768 30 10 CJEE CCCc1ccc(Oc2nc(C)c(C#N)cc2Cl)cc1 313048183 GZMWXGKSRPEXPZ-UHFFFAOYSA-N 286.762 4.660 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCCCO1 315072754 OXBMYIJIPGFHRM-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317317878 ORDTXLWWITYCJS-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CCCNC[C@@]1(CC#CC(C)(C)C)CC[C@@H](CC)C1 318455969 QIAMYZCVVXFICE-AEFFLSMTSA-N 263.469 4.622 30 10 CJEE CC(CCc1ccc(OCCCC(C)(C)C)cc1)=NO 379673761 RXTHWMWFJXYIGH-UHFFFAOYSA-N 277.408 4.674 30 10 CJEE CCCCCCCC[C@H](NCC)c1cc(C)ns1 382240897 XXKMGSNNPMJUKA-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE C[C@H]1CCC[C@@H](CC2(C#N)Cc3ccccc3C2)C1 389018218 YLJCQQRRIVQXNB-LSDHHAIUSA-N 253.389 4.512 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1c(Cl)cc(F)cc1Cl 397505044 DWGJYSOCYXLHRM-QMMMGPOBSA-N 289.181 4.730 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H](C)C[C@H]1CC 399658940 KOJFCDGKCGIOLO-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE C=CCCCN[C@H](C)c1c(Cl)cccc1Cl 400806158 HGQKLEZRSRBGEN-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccs1 512665911 IAPDDGKCDLJFKL-XHDPSFHLSA-N 288.391 4.561 30 10 CJEE N#CCc1cnc(Cl)c(-c2c(Cl)cccc2Cl)c1 514263742 DZPMTKGHUTUINI-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccc(C)c2s1 620303371 OMNNKQHNPDCXCX-GASCZTMLSA-N 297.423 4.533 30 10 CJEE C=CC[C@@H](CC1(c2ccccc2)CCCC1)NCCC 686719311 JJHRSQOKCKLGGZ-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCSc1cccc(N=C2N[C@@](C)(C(C)C)CS2)c1 690079733 RPYOWACEZUCNQW-OAHLLOKOSA-N 294.489 4.537 30 10 CJEE Cc1c(Cl)cc(N[C@@H]2CCCC[C@@H]2C#N)cc1Cl 690267571 IVWUICDSGPTOHV-QMTHXVAHSA-N 283.202 4.796 30 10 CJEE C=CCC[C@@H](C)Nc1c(C)cccc1Br 690435093 PVAGMLZMLQWCLJ-LLVKDONJSA-N 268.198 4.524 30 10 CJEE CCCCCCCCC[C@@]1(F)CCNC(C)(C)C1 691749474 JWJDYQPLKBHVFI-MRXNPFEDSA-N 257.437 4.997 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@H]1CCCC2(CC2)C1 696224195 HZPKMAHKYGKLKH-INIZCTEOSA-N 276.468 4.609 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2csc(C3CC3)n2)C1 696581500 ZPXALKHOOKWMGE-MLGOLLRUSA-N 274.433 4.673 30 10 CJEE CCCCCCCCCCCCC(=O)[C@]12COC[C@@H]1C2 701903922 IJUFYBFUZDJGMT-FUHWJXTLSA-N 280.452 4.903 30 10 CJEE CCCCCCCCCCCC(=O)c1cncn1C 704574677 KWQUIVQZUFQDPA-UHFFFAOYSA-N 264.413 4.524 30 10 CJEE C=CCCCOC[C@@H](NCCC)c1c(F)cccc1Cl 708930796 WGSSQCNLQKMWTA-OAHLLOKOSA-N 299.817 4.503 30 10 CJEE C[C@](C#N)(CC1CCCCC1)NC1CCCCCC1 709755233 GANXXXXUORMRTG-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE CCCCCCC[C@@H](C[C@H](CC)C(C)(C)C)NN 711098971 VZTLBQATXSYMBO-GJZGRUSLSA-N 256.478 4.641 30 10 CJEE C#CCCCCC[C@H](NCCC)C12CCC(CC1)C2 711143902 PTXMECPEUINQGO-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CC(C)(C)OC1(C)C 711366655 UWIQRGNBJFBOBY-CABCVRRESA-N 269.473 4.658 30 10 CJEE CCCCCCCCC[C@H](NCC)c1csnc1OC 712852396 JPTYUPXOSOEJCL-HNNXBMFYSA-N 298.496 4.943 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@H]2CCCC[C@H]21 714286413 LCIOELMQNLIKMW-XJKCOSOUSA-N 288.822 4.982 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(C(F)(F)F)c1 715755062 WFQPRLYHOAUMGT-DOMZBBRYSA-N 285.353 4.958 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 715795482 MJBMQSNVLJRMQG-YVSFHVDLSA-N 265.485 4.887 30 10 CJEE C=C1CCC(CC[C@H](CNC)c2ccccc2)CC1 724614594 AKSDEGGOQRXWFA-GOSISDBHSA-N 257.421 4.516 30 10 CJEE Cc1ccc2nc3c(c(C)c2c1)[C@@H]1O[C@H]1c1ccccc1-3 725421570 XGAXQVOCXOFDNH-OALUTQOASA-N 273.335 4.645 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1CCC(C(C)C)CC1 821986833 DAWJGIJDIXPCTP-JYSRZZCRSA-N 263.469 4.926 30 10 CJEE Cc1cccc(N=Cc2c(C)n(C)c3ccccc23)c1 1083962477 SUCXGCFBLXDTNQ-UHFFFAOYSA-N 262.356 4.546 30 10 CJEE C(=Nc1ccc(N2Cc3ccccc3C2)cc1)c1ccccc1 1084160977 USZUXHOLIBHYGK-UHFFFAOYSA-N 298.389 4.957 30 10 CJEE CCCCCCCCCN1CCC(OC(C)C)CC1 1201846317 HXHLGSVJKAOMCK-UHFFFAOYSA-N 269.473 4.626 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1SC 1437583003 MKVYXVOYDMNWTE-JTQLQIEISA-N 283.824 4.603 30 10 CJEE C#CC1(NC(=O)/C=C\CCCCCCCCC)CCCC1 1455191560 YXUBBXOFMBACSQ-QINSGFPZSA-N 289.463 4.746 30 10 CJEE C=CCCCCCCNC(=O)/C=C\c1ccc(Cl)s1 1459912955 CRBIOCFLFQUTSY-LUAWRHEFSA-N 297.851 4.667 30 10 CJEE C=C(C)[C@@H](NCCSC(C)(C)C)c1ccc(F)c(F)c1 1459977944 AQBWDUZYRFEMHB-OAHLLOKOSA-N 299.430 4.703 30 10 CJEE C=C(CC)CN(C)c1ccc2c(c1)oc1ccccc12 1460116840 BTQCBZHKPQGJLH-UHFFFAOYSA-N 265.356 4.988 30 10 CJEE C#Cc1cccc(NC[C@H](C)c2cccc(Cl)c2)c1 1462052348 NJJBOKGDESNWQO-ZDUSSCGKSA-N 269.775 4.537 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCC(C)(C)C[C@@H]1C 1462563107 NMSFEEIDSNIWHR-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE Cc1cccc(C#N)c1SC[C@@H]1CCCCC1(F)F 1473080422 SSROVPMOYHPEKS-ZDUSSCGKSA-N 281.371 4.784 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CCCc2ccc(C)cc21 1474557478 RNPZHRBRTPRSBC-AEFFLSMTSA-N 257.421 4.707 30 10 CJEE C=CCC[C@H](CC)Nc1cc(F)c(Cl)cc1OC 1474727305 YVXWZLJVUPPXAA-JTQLQIEISA-N 271.763 4.644 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCCc2cc(C(C)C)ccc21 1525041099 QMEJYOLAHVXCMC-IBGZPJMESA-N 285.431 4.692 30 10 CJEE C#Cc1ccc(CNC(=O)[C@@H](C)CCCCCCCC)cc1 1526683911 OFBIUMWKOVIFAR-KRWDZBQOSA-N 299.458 4.671 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](CC)CC(C)C)c1ccccc1 1532386804 DXZSPGUATNYZTF-GOEBONIOSA-N 260.377 4.529 30 10 CJEE C=CC(C)(C)CCCNC(=O)Cc1ccc(C2CCC2)cc1 1534159086 QQBIFPCRSITFOI-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1 1540438255 APAMHANEYLLKMC-LJQANCHMSA-N 287.362 4.748 30 10 CJEE C=CCN(CCc1ccco1)CC[C@H]1CCC[C@@H](C)C1 1559689711 VIZPPXYMUMNQOV-IAGOWNOFSA-N 275.436 4.527 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 1585673376 XGWWQMZEDHJBPU-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=C(C)CCC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1585828226 SWFMRYWTUFJSJI-KRWDZBQOSA-N 285.431 4.563 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCSC1CCCCC1 1620414776 IPQMSDCQIYSHMW-WBVHZDCISA-N 281.509 4.777 30 10 CJEE C#Cc1ccc(NC(=O)c2ccccc2C(C)C)c(Cl)c1 1627146555 LVXJNYMGEXBXKA-UHFFFAOYSA-N 297.785 4.697 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(NC3CCCC3)c2)CC1 1630627517 QYKYSXOXIRDXKH-UHFFFAOYSA-N 298.430 4.726 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N(CC(C)C)C(CC)CC 1633585747 UTHABVVWAFDJDR-OAHLLOKOSA-N 282.472 4.587 30 10 CJEE C=CCCCCCCNC(=O)N1CCC(CC)(CC)CC1 1635113466 HMSGWPZODFSTNR-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=CCN(CCc1ccccc1)[C@@H](C)c1cccc(F)c1 1653271882 SLZDGHMPMQUABR-INIZCTEOSA-N 283.390 4.617 30 10 CJEE C=CC(C)(C)CCCNC1CCc2ccccc2CC1 1656906270 FTSWLDKHDBUPRP-UHFFFAOYSA-N 271.448 4.516 30 10 CJEE C#Cc1ccc(CN2CCC[C@@H]2CCC2CCCCC2)cc1 1658214570 UGSYVUHBYIEUHK-OAQYLSRUSA-N 295.470 4.993 30 10 CJEE C=CCC[C@@H](C)NC[C@H](C)Oc1ccc(C(C)C)cc1 1659157429 CGEIDVDGGSQPQC-CVEARBPZSA-N 275.436 4.522 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1nc(Cl)ccc1Cl 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284.230 4.919 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334657586 CRKDYYDFEPFBEX-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccccc1CC 2335198432 VGHNFFBWTALLPQ-RHSMWYFYSA-N 277.477 4.597 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC1C[C@H]2CCC[C@H](C1)C2 2337070188 ZWSHPYXFGMZIDN-ONIAQPFYSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(F)c(C)c1 2337106822 MRJRDLOFPPUTNZ-VBQJREDUSA-N 261.384 4.530 30 10 CJEE O=C(C#CC1CC1)c1ccc(-c2ccccc2Cl)s1 2337563127 HODCDLNRDVJQMP-UHFFFAOYSA-N 286.783 4.665 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1cc(C)c(OC)c(Cl)c1 2337634168 JWQLYHAZRVQVEG-ABAIWWIYSA-N 281.827 4.520 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339023410 HJAYPFXTMGIDFK-RSJGLCBASA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 2344337664 SLQMQZGXPYITKN-FPSMNIFISA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1c(F)ccc(CC)c1F 2344350211 ZUHMOTIOLKHGDU-JKSUJKDBSA-N 267.363 4.519 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@]12CCCC[C@@H]1C2)NCC 2344378602 MMHLRUHPLCUKPV-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC#CC(C)(C)C)NCCC 2344381215 USYFSAKBBQSEJR-AEFFLSMTSA-N 263.469 4.787 30 10 CJEE C=CCC(CC=C)S[C@@](CCC)(C(=O)O)C1CCC1 2351993359 YNWHBJOOTUYTTR-MRXNPFEDSA-N 282.449 4.664 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC[C@H](C(C)C)CC1 2352014356 OXHGDZONGRTRKI-OFQRWUPVSA-N 284.465 4.744 30 10 CJEE Cc1cc(C#N)ccc1N[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354887548 YLXNGLAXQZYLNN-BQFCYCMXSA-N 268.404 4.638 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CCC[C@@H]1C[C@@H]1C)NC 2356074647 YQOANULTHIUOBF-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)Sc1nc(C2CC2)nc(NCCC)c1C 2360209224 ZORNEWDGNPKGCQ-NSHDSACASA-N 291.464 4.541 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(F)c(C)c1 2360336356 JODAHNKVSFFYLE-KRWDZBQOSA-N 293.451 4.649 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1c(Cl)cccc1Cl 37938061 KPPXPYFWEXILDJ-CQSZACIVSA-N 291.181 4.979 30 10 CJEE C=C(C)Cn1c(-c2cccc(Cl)c2)nc2ccccc21 40250368 XOIYYHGYQVAUJW-UHFFFAOYSA-N 282.774 4.933 30 10 CJEE CCCCCCCCOc1ccc(N)c2ncccc12 59266800 DWLOFWDQDTUWLL-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc2ccc(O)cc2c1 62786134 MHMFVEJDSLWWFB-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE CC1CCC(C#N)(Cc2sccc2Br)CC1 83776234 AGBJIWMGIKHHER-UHFFFAOYSA-N 298.249 4.773 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@H](C(C)C)CC2)c1 86949160 QSBMBTNSCJESDL-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2ccc(C(C)(C)C)cc2)C1 87973465 JHKHGPBTCDAXIK-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE CCCCCCCCCCCCN(CC(=O)O)C(C)C 88230956 QFIAYBIEPPGCOZ-UHFFFAOYSA-N 285.472 4.702 30 10 CJEE CC(C)(C)c1ccc(/C=N/c2ccc(F)cc2)cc1 100074276 SQZBNPSEKQVQCS-XDHOZWIPSA-N 255.336 4.874 30 10 CJEE CCCCCCCCCCCCNC1CCOCC1 103469317 GTAQQYDYSUWZCM-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCC[C@@H](O)Cc1csc(C)n1 103936352 FIWSOKDUERHUFL-MRXNPFEDSA-N 283.481 4.886 30 10 CJEE CCCCCCCCO[C@@H](CN)c1ccccc1Cl 103975296 JBDHDPNGEHQOQY-INIZCTEOSA-N 283.843 4.717 30 10 CJEE CCCCCCCCCn1nc(C)c(C[C@@H](N)CC)c1C 109010603 BNWVDLUMSFVXNV-KRWDZBQOSA-N 293.499 4.530 30 10 CJEE CCCCCCC[C@H](O)C(C)(C)c1ccc(F)cc1 115092601 JGRIPTLMZKKUOV-INIZCTEOSA-N 266.400 4.825 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)C(OC)OC 116658090 GLYAUKKHTYCQNU-KRWDZBQOSA-N 288.472 4.667 30 10 CJEE CCCCCCCCCCCc1nnc(S)n1CC 116938521 XPRWWMGNURZPPI-UHFFFAOYSA-N 283.485 4.660 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)c1ccncc1 117684587 IAJDVHSUUBHKCN-RDJZCZTQSA-N 262.441 4.524 30 10 CJEE CCCCCCC[C@@H](CO)c1ccc(Br)cc1 118656204 RYPNPSGTXCVXNA-AWEZNQCLSA-N 299.252 4.886 30 10 CJEE CCCCCCCCC[C@H](CCCc1ccccc1)NN 122248490 SWUWYTGNBLGACF-LJQANCHMSA-N 290.495 4.982 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(Cl)ccc1OC 125764095 GSIKQTPTAUMYTB-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE C=C(CC)CC(=O)c1ccc(Cl)c(Br)c1 126745617 SERRTYXMUUILGQ-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CSc1cccc(Nc2cc(C)cc(C)c2)c1C#N 136613081 CLDNIUZYDUTZIE-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CCSc1cccc(Nc2ccc(C)cc2F)c1C#N 136618347 SQAYZLQUBVOLQD-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CSc1cccc(S[C@@H]2CCC[C@H](C)C2)c1C#N 136995297 PFVDDBCBKUPOQW-NWDGAFQWSA-N 277.458 4.951 30 10 CJEE CCCCCCCCCCCCNC(C)(C)CCO 142141194 YIVCMRKRPISTSQ-UHFFFAOYSA-N 271.489 4.658 30 10 CJEE CCCCCCCCNc1ccc(N)c(OC(C)(C)C)n1 159126686 RJVPBDZHSAXOTR-UHFFFAOYSA-N 293.455 4.614 30 10 CJEE CCCCCCCCCCNCc1ccnn1CCC 160177522 CHSLKNGLXITDDH-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCC[C@@H](O)C1(OC)CCC(C)(C)CC1 162757686 IGFLESCQVPZRPT-OAHLLOKOSA-N 270.457 4.693 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc2ccccc2n1 164591703 PJIXYWJRLXLZDC-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC(=O)CCc1ccc(OC)cc1 164741215 GUHLLDIUXAASKQ-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)ccc2F)C1 165712826 WAPPOIMPHJZAHZ-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C1CC1 189883905 RPYVIAJCTPRQGZ-IAGOWNOFSA-N 283.415 4.523 30 10 CJEE Cc1ccc(C(F)(F)F)cc1Nc1cccc(C#N)c1 227622381 CMCTYLSPHXGGKK-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@H](CC(C)C)C2)c1 230764509 LPRJBUBREDAMRQ-AEFFLSMTSA-N 255.405 4.685 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Cl)cc1C 233106365 NLBQNCIYHVTJAV-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CC[C@H](C)c1ccccc1O[C@@H]1CCCC[C@H]1C#N 251374041 RLYKNDOCTVKHHI-OFQRWUPVSA-N 257.377 4.661 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 252746934 BYNGQMPIDHZBGW-KSZLIROESA-N 263.469 4.622 30 10 CJEE N#CC1(c2nc3ccccc3s2)CCCCCCC1 311425166 PDNZXYMBOHSVCK-UHFFFAOYSA-N 270.401 4.802 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H](C)C2CCCCC2)C1 317668370 FJIZOCVMSRYYHF-UXLLHSPISA-N 250.426 4.988 30 10 CJEE C=CCCC[C@@]1(CNCCC)CCC[C@H](CC)C1 317796675 GGQGTDHMILOPDA-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C[C@@H](c1ccncc1)N(C)CCCCCCCCCS 383751927 PZXBAOZEGOWHES-INIZCTEOSA-N 294.508 4.735 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@]1(O)CCCCC12CCCC2 385235521 UTGVSRDIQZKOKS-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CC(C)(C)[C@H]1CCSC(=Nc2cccc(C(F)F)c2)N1 386199573 DSRDCEWDHMRWQB-GFCCVEGCSA-N 298.402 4.753 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@@H](CNCC)O1 389075752 YTYCZVHDPFGHTK-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)[C@@H]1CC2CCC1CC2 394609985 ARDJMEUVQCCHLG-AJTLQJAISA-N 268.404 4.516 30 10 CJEE CCc1ccccc1N=C1N[C@H](C2CCCCC2)CS1 395399533 CSBCNPVMMYVNGA-INIZCTEOSA-N 288.460 4.522 30 10 CJEE N#C[C@H](CNc1ccc(F)cc1Cl)C1CCCCC1 397165309 YZFAZBDZJQMFDZ-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE C[C@H](C1CC1)N(Cc1ccccc1)C[C@H](C#N)C1CCCC1 397451143 KCWYWMLJCKRXFU-UZLBHIALSA-N 296.458 4.617 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(OCCC)cc1 398068664 KXVQPVXZVPSHAL-HOTGVXAUSA-N 275.436 4.871 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1cc(C)sc1C 398137078 XWUKAPBVESBYJS-WCQYABFASA-N 251.439 4.760 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)Sc2ccccc21 464537333 GBWWKTPOBRSQSL-KBPBESRZSA-N 289.444 4.506 30 10 CJEE Cc1cccc(C)c1CSCc1ccc(C#N)cc1 566646707 RCIATYMWECDWLG-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CCCCCCCCC[C@]1(CNC)C[C@@H](C)O[C@H]1C 686470380 KCHCOPJWQACONT-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC1(C)C 686695479 KFCQCUONOBWLTM-SJORKVTESA-N 263.469 4.765 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@]2(C)CC2(F)F)C1 689320245 OMMBRFDDJDWJHT-AWEZNQCLSA-N 272.379 4.843 30 10 CJEE C=CCCCCC[C@H](NN)c1cccc(C(C)(C)C)c1 691665036 JLRXUZDZFXLSRE-KRWDZBQOSA-N 274.452 4.625 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2ccccc21 692193084 QUEBPFJBHJMEDE-OCCSQVGLSA-N 272.417 4.632 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1Cc2ccc(Cl)cc2C1 692235991 XSYNHFOYZMJQOQ-BVGQSLNGSA-N 289.850 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1F 692271290 HEVIEOJORAJDJA-JJRVBVJISA-N 261.384 4.611 30 10 CJEE CCCCCCCC[C@H](NC)C(F)(F)C(F)(F)F 692613862 LHGVHAQGXPLSCE-JTQLQIEISA-N 275.305 4.523 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCC1 698460437 ZINIPMNWNKABPG-AWEZNQCLSA-N 294.439 4.639 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C)Oc1ccccc1 700690595 HYCGFUWEEFMKSN-DOTOQJQBSA-N 264.409 4.565 30 10 CJEE C=CC(C)(C)CCNc1ncc(C(F)(F)F)cc1Cl 701875817 CWHFJONNKPZGBK-UHFFFAOYSA-N 292.732 4.768 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cn(C)c(C)n1 706277106 URXAKCJCKCJULB-INIZCTEOSA-N 279.472 4.520 30 10 CJEE C[C@@]12CCCC[C@H]1CN2CC1(CS)CCCCCC1 707195700 CMJZIEXOUVNUQT-JKSUJKDBSA-N 281.509 4.521 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1CCC(CC)CC1 710550264 WTQLKBKYHIXUJB-NRXISQOPSA-N 257.849 4.714 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(OC(F)F)c1 715706571 SPTZUQMPVLCECY-WFASDCNBSA-N 283.362 4.541 30 10 CJEE C=C1CCC(COc2ccc(C(C)=O)cc2Cl)CC1 724589171 AOZYQDVDXVFHFH-UHFFFAOYSA-N 278.779 4.668 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)(C)C)CCCS2)CC1 724611147 RNRIUBLZCOZEMJ-QGZVFWFLSA-N 281.509 4.777 30 10 CJEE CCOc1ccc(/C(CC)=N/OCc2ccc(C)cc2)cc1 821219947 FDWFAOVMPMNQPT-FMQUCBEESA-N 297.398 4.725 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)Cc1ccccc1F 1136559332 UYERXZWVSKKBCV-UHFFFAOYSA-N 291.410 4.557 30 10 CJEE C=CCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1167061691 DEZTVMIAPDKNMH-AWEZNQCLSA-N 270.203 4.706 30 10 CJEE C=CCN(C[C@H](C)CSc1ccccc1C)C(C)C 1167227500 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10 CJEE Cc1ccc(CSCC23CCC(CC2)C3)cc1C#N 2274348162 ISRMOMBQMXDNIS-UHFFFAOYSA-N 271.429 4.680 30 10 CJEE N#Cc1ccc(SCC2(C(F)(F)F)CCC2)c(F)c1 2274597080 LFKVPELCSIVCAH-UHFFFAOYSA-N 289.297 4.522 30 10 CJEE C=CCC[C@H](C)[C@@](CC)(CCC(C)C)OCCCN 2276386944 ZLVUDVJBUJBAQS-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)[C@@H](C)CC 2276571395 BTRYQWMIGQRUMN-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCC[C@H](C#Cc1ccccc1Cl)NCC 2277850786 ROWXBLSMVZIGKJ-MRXNPFEDSA-N 277.839 4.640 30 10 CJEE CCCCCCCCC[C@](C)(O)CC1CCOCC1 2278168291 CVSILVPMLQIQGM-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CC)[C@@H](O)CC 2278233994 GJQUWKFRXOCLMF-BBWFWOEESA-N 271.489 4.655 30 10 CJEE C#CCCCC[C@@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279187850 BBHWKLKZKXIYOV-SHARSMKWSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CC1(C)CC(C)C1)NC 2279486256 VVDCGBSGMMFPLY-JYSRZZCRSA-N 283.500 4.512 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)C1 2279725062 DETUCYGOVHNATO-AJNGGQMLSA-N 291.401 4.936 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C=O)CCOC12CCCCC2 2280515478 OUGCVIQQUOAWFB-BRWVUGGUSA-N 278.436 4.511 30 10 CJEE Cc1cc(NCC2CCCCCCC2)cc(C)c1C#N 2280561563 MBRAWMRBKDEUCY-UHFFFAOYSA-N 270.420 4.948 30 10 CJEE N#Cc1cc(F)c(Cl)cc1OCC[C@@H]1CCCC12CC2 2281382336 ZPTGFPFUIOWYLU-LBPRGKRZSA-N 293.769 4.700 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1C[C@@H]1C1CCCCCC1 2284101376 RHLVBTAZKPCJQC-QZTJIDSGSA-N 273.464 4.541 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1C[C@H]1C(C)(C)C 2284109021 YWBTXVWMIUGFEA-GVDBMIGSSA-N 275.480 4.643 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(OC)c1C 2287464904 FBHVGXWINZAYCO-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1c(C)cc(OC)cc1C 2287470668 SRQRSOBRSGXYDF-QGZVFWFLSA-N 275.436 4.709 30 10 CJEE CC(C)CCC[C@@H](C)CCC1(C#N)C[C@@H]2CC[C@H](C1)N2 2287973427 BUTPTXHRHBSWLI-HRBLRVMOSA-N 276.468 4.653 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]12COC[C@H](C1)C2 2288767687 KKCUZWBRQHXNIZ-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(Cl)cc1F 2289882486 PQHSBZHUXFMKHF-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1[C@H](N)C(C)(C)CCC1(C)C 2290209003 DMFHGDHUYGOCHC-PMPSAXMXSA-N 281.484 4.680 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)c1cscc1C 2290619435 HYMJLIVFGXZLAR-HNNXBMFYSA-N 298.448 4.949 30 10 CJEE C=CCCC[C@@H](CCCCCCCCC)OCC(=O)O 2290648781 SQUPPWXJGHSQSP-INIZCTEOSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C1(C)CC(C)(C)C1 2291789360 WUFUYKMXXBAALQ-AWEZNQCLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)C1(C)CC(C)(C)C1 2291789361 WUFUYKMXXBAALQ-CQSZACIVSA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](OCCC(=O)O)c1ccc(C(C)(C)C)s1 2291892702 RMSYOUOKUJZSHN-LBPRGKRZSA-N 296.432 4.544 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)C1CC(CC)C1 2292058274 XUKMBQHWBUIZRI-VMBOVVBDSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H](C)C(C)(C)C 2292783622 CCILWDYARGOVFW-SJORKVTESA-N 283.500 4.929 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)c2cscc2C)CC1 2292908997 LDVQLZAXGMKYCF-QGZVFWFLSA-N 293.476 4.600 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC1CC(F)C1 2295601162 LISGHNCNCMMBML-DQPZFDDXSA-N 286.431 4.585 30 10 CJEE C#C[C@H](c1ccccc1)[S@@](=N)(=O)C[C@@H](CC)CCCC 2295698563 CIVSBLORUUALMN-VPWXQRGCSA-N 291.460 4.624 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(C)c(Cl)c(C)c1 2304042650 YFMCAAKLJLFJCC-CQSZACIVSA-N 251.801 4.559 30 10 CJEE CCCC[C@@H](CC)OC[C@@](C)(CS)C(C)(C)C 2307110246 VFPPLXZCWSWDQN-HIFRSBDPSA-N 260.487 4.954 30 10 CJEE CC(C)C[C@H](CS)CSc1cc(F)ccc1F 2308068691 PULDHKNTUKFDKK-SNVBAGLBSA-N 276.417 4.649 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2311080053 ZNPIDOPPWHFKMM-HMDCTGQHSA-N 250.426 4.534 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1C2 2313194934 NONXHMXWBQWGCH-YYIAUSFCSA-N 251.458 4.904 30 10 CJEE Oc1ccc2ccccc2c1C=NCCC1=CCCCC1 2313499092 KKMKFOUCRSRWPA-UHFFFAOYSA-N 279.383 4.855 30 10 CJEE C=CCC(CC=C)NCc1cc2ccccc2s1 2313639274 RFYSYEVRZHTGQX-UHFFFAOYSA-N 257.402 4.512 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(C(F)F)cs1 2316707974 XSHHJAMYHVNGHG-CYBMUJFWSA-N 271.376 4.715 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1c(Cl)cccc1Cl 2316728298 DTGGFGKDYMVFRH-HNNXBMFYSA-N 284.230 4.936 30 10 CJEE C=C(C)CN(CC)CCCc1cc(Cl)cc(Cl)c1 2318612183 NQROHWQEAJCHFL-UHFFFAOYSA-N 286.246 4.824 30 10 CJEE C=CCCCCNc1cc(Cl)nc2ccccc12 2321124861 JYVLOIXTDDIZIX-UHFFFAOYSA-N 260.768 4.656 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C(C)C)NCC 2321129186 ZRGVQWIHMYVRSF-MWDXBVQZSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H](C)C1CCCCC1 2321223308 FVQCYOZKZFIJMU-XIRDDKMYSA-N 252.442 4.946 30 10 CJEE CCCCCCCC[C@H](N)CCCOC(C)(C)C 2321953854 LYEPMDKCPCFUAJ-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@@](C)(SC1CCC1)C(=O)O 2327172858 GTWQMEHJHQDFOG-OAHLLOKOSA-N 272.454 4.866 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCCN 2335026911 OPYYXEGWXQKNTL-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC[C@H](C)[C@H](NCCC)C1 2335097690 AWCSBCXTKGZQCF-USXIJHARSA-N 281.509 4.797 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(F)cc1C1CC1 2339162236 XRAKBROXZNJUPZ-KRWDZBQOSA-N 262.368 4.873 30 10 CJEE C#Cc1ccccc1N[C@@H](C)[C@@H]1CCCC(C)(C)C1 2339966879 YGCZNGZIZMCXFU-GOEBONIOSA-N 255.405 4.685 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccccc1C1CC1 2341538855 KREYNCXTCCGSLG-QGZVFWFLSA-N 259.437 4.794 30 10 CJEE CC#CCCCC[C@@H](O)c1cccc(C2CCC2)c1 2343776903 AHMSROUYFCMZMX-GOSISDBHSA-N 256.389 4.571 30 10 CJEE CCCCCCCC[C@]1(F)CCCN[C@@H]1C(F)(F)F 2344128183 NCDAQYYWIDZJRB-STQMWFEESA-N 283.353 4.760 30 10 CJEE C=CC[C@H](C)[C@H](CCCC(F)(F)C(F)(F)F)NCC 2344342213 IHLNMULIJDKAJD-QWRGUYRKSA-N 287.316 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C)cc1F 2344346350 RTJOMTMWFQOTQB-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc2occc2c1 2344348804 NSXHMAVLJDJKMO-DLBZAZTESA-N 257.377 4.686 30 10 CJEE CSc1cc(Sc2cc(F)cc(F)c2)ccc1C#N 2353835206 KOKLPXNWLBMICS-UHFFFAOYSA-N 293.363 4.710 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1OC[C@@H]2CCCC[C@H]12 2358491836 OLAKVKASSLTRKH-XLAORIBOSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)NCCC12CC3CC(CC(C3)C1)C2 2360205578 OCPDZTAZVHBPSI-UHFFFAOYSA-N 273.464 4.703 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CC)C[C@@](C#N)(NC(C)C)C1 2360208662 RQHGBUJIVUTLHO-YLFCFFPRSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)Sc1cc(OCCC)c(F)cc1N 2360325808 ASEQBMHXVQGVQE-UHFFFAOYSA-N 295.423 4.810 30 10 CJEE CC(C)c1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1 26462473 NTQPRIYRPKGPNO-FMIVXFBMSA-N 290.366 4.582 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1C 37333972 MZBMLKIDANTMPL-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE C=CCn1c(C(C)C)nc2ccc(SCCC)cc21 43256522 DLVXXFHNSWBZBI-UHFFFAOYSA-N 274.433 4.848 30 10 CJEE CC[C@H](Nc1cccc(Cl)c1C#N)c1cccs1 52904373 YIULDVOFRMIBMJ-LBPRGKRZSA-N 276.792 4.836 30 10 CJEE Oc1cccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 59302931 NSXPZIYWSWHOBQ-XDHOZWIPSA-N 296.757 4.587 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(F)c1C#N 59348170 PEDLWONUUSOGKO-ZDUSSCGKSA-N 262.372 4.858 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(C(=O)OC)c1C 59451538 FVIFNKAZABURTG-AWEZNQCLSA-N 291.435 4.943 30 10 CJEE CC[C@@H](C)c1ccc(-c2cc(C#N)nn2C(C)C)cc1 76849399 RMAPLGHYKQPWAP-CYBMUJFWSA-N 267.376 4.516 30 10 CJEE CCCOc1ccc(-c2cc(CC#N)c(C3CC3)o2)cc1 77083646 GELQKAYBYITEGD-UHFFFAOYSA-N 281.355 4.679 30 10 CJEE CC(C)(C)[C@H]1CCCN(c2cc(Cl)ccc2C#N)CC1 79343732 OVMMTYOQHCXFKU-AWEZNQCLSA-N 290.838 4.864 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)CC1 86922675 SRHZJQMQFPWZAE-HOTGVXAUSA-N 256.393 4.575 30 10 CJEE N#Cc1ccc(F)c(CNc2c(Cl)cccc2Cl)c1 88171235 RVEFLRRTJJHEAV-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCC1CCC(O)(C2(C#N)CCC(C(C)C)CC2)CC1 91876003 GAGIDWUPECOYBT-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCCCN1CC1(CS)CCCCCC1 94577991 AOYOPDGBAXDPQO-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE CCCCCCCCNCc1cc2ccccc2o1 105807619 GEZJUCXRQGBGLY-UHFFFAOYSA-N 259.393 4.883 30 10 CJEE CCC#CC[C@@H](C)c1ccc(OCC(C)C)cc1C 107615654 LNTHFZRHPKSPHC-OAHLLOKOSA-N 258.405 4.937 30 10 CJEE CC#C[C@H](C)[C@H](C)c1c(C)c(Cl)cc(C)c1OC 107648938 SULRFPJCBDSBEV-JQWIXIFHSA-N 264.796 4.728 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@@H]1c1ccccc1 109941163 QFFHWJVGBDFPCP-JQHSSLGASA-N 259.437 4.881 30 10 CJEE CCCCCCCc1nc(CCC)n(CC(C)C)c1N 110055194 UOCTWDJYAKZZRG-UHFFFAOYSA-N 279.472 4.587 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CNC(C)C 110326020 XZEHYEZJRGLAID-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](N)Cc1cccc(C(F)(F)F)c1 116722711 OCCDCJYBCPKAFG-HNNXBMFYSA-N 287.369 4.936 30 10 CJEE CCCCCCCCCC[C@H](NC)C(C)(C)N1CCCC1 118144166 FDZVBZACBCGCJQ-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@@H](O)C(CC)(CC)N(CC)CC 118169515 LHHVLEDGFXLRQL-MRXNPFEDSA-N 271.489 4.608 30 10 CJEE CCCCCCCCN1CCC[C@@H](NC)c2ccccc21 122937821 NEHRBZXIKDFSOW-GOSISDBHSA-N 288.479 4.908 30 10 CJEE CCCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1NCC 122997045 KUKUHARVZPSBFH-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc2c(c1)CCC2 125766103 JIMHEHBVXVWVAH-SFHVURJKSA-N 257.421 4.572 30 10 CJEE CCCCCCCCOC[C@H](CS)C(C)(C)C 127156917 QGWVRUIXMTTXJE-CQSZACIVSA-N 260.487 4.956 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1 129278169 FDRPLJYIIDXHHQ-OTWHNJEPSA-N 294.527 4.637 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)C[C@@H]1C 129389352 UPZCTGXKIKOJCV-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=C(C)C[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 129700897 TYTLQFKDINOEPU-NNCLKIPCSA-N 262.437 4.700 30 10 CJEE CCCCCCCC(=O)c1cc(Br)ccc1N 132812320 CHICAJKXBYKMSE-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 136160352 DOKRJCVDUSFNRF-YYWYGQEZSA-N 290.495 4.994 30 10 CJEE CSc1cccc(Nc2cccc(SC)c2C#N)c1 136605028 VDCZGWHZDLGUHJ-UHFFFAOYSA-N 286.425 4.746 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(C)nnc1C 139421201 FIQLCLFPBBGNIF-SFHVURJKSA-N 291.483 4.885 30 10 CJEE CS/C(=N\C(C)C)Nc1ccc(Cl)c(Cl)c1 144459926 DLJQWSIXTZLFJG-UHFFFAOYSA-N 277.220 4.533 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)c(F)c1)NCC 147358802 CPIYJKXNUDHXJM-HNNXBMFYSA-N 283.406 4.846 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](OC)C(C)(C)C 158248572 MFTMJGIQHXPEMB-JKSUJKDBSA-N 271.489 4.776 30 10 CJEE Cc1cc(C)cc(CSCc2cc(F)cc(C#N)c2)c1 163784234 MXGXROTYBDIBGT-UHFFFAOYSA-N 285.387 4.748 30 10 CJEE CCCCCCC[C@H](NCCC)c1nccn1CCC 165902166 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C=CCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2332701074 YGBCEJBENZMSBB-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Nc1cc(C(F)(F)F)cc(Cl)n1 2335093293 KAPXJOWQJLLLKC-UHFFFAOYSA-N 290.716 4.687 30 10 CJEE O=C(C=C1CCCCC1)c1cc(F)ccc1C(F)F 2338273047 ZIMQUJQPRMUIFI-UHFFFAOYSA-N 268.278 4.837 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CCCC1(F)F)NCC 2338739295 UPCYENMJYAAWSH-CABCVRRESA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1CC(C(C)(C)C)C1 2338740180 CKLQIYUGYFQWBO-OFLPRAFFSA-N 263.469 4.805 30 10 CJEE C=C[C@@H](C)C[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2342328715 LYASFLOBWCMZMG-NOZJJQNGSA-N 291.744 4.832 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@](C)(C#N)c1ccccc1 2343374748 RULLXTBISJXSLK-LESCRADOSA-N 255.405 4.930 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(Cl)cccc1OC 2344338956 FFYVBHVRUTYWSF-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1cccc(F)c1Cl)NCCC 2344343671 FICFMGYUGOYOCI-DOMZBBRYSA-N 283.818 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(C2CCCC2)cc1 2344348113 HTTZAUWNABZXFT-KDOFPFPSSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1cccc(C(C)C)c1 2344349438 SQMZLLBMNHAMJR-ZWKOTPCHSA-N 259.437 4.672 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)N(C[C@](C)(CS)C(C)(C)C)C1 2352071742 JACXPWRKXZEPTL-ZMSDIMECSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@](C)(SCC1CC(C)C1)C(=O)O 2352196957 DAFQPMUTUNRQHR-XUJLQICISA-N 286.481 4.970 30 10 CJEE CC(C)[C@H]1CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352320101 PRIQYLZOTVAFOM-DOTOQJQBSA-N 285.541 4.727 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1[C@@H]2CCO[C@@H]21 2355579750 RWJWNAIHKRRGIH-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCc1cc([C@H](C#N)[C@@H](C)c2ccccc2)ccc1OC 57746978 SAKSNQBVFZODKD-KBXCAEBGSA-N 279.383 4.668 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1cccc(O)c1 59487411 HLHJVMZXEQFZLC-LSDHHAIUSA-N 263.425 4.792 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SC2CCOCC2)C1 62054435 QYXANOLXGRRYBG-IIAWOOMASA-N 295.492 4.643 30 10 CJEE C[C@@H]1CCCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 70409549 GJDSZJARUHOUBI-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CCc1oc(-c2ccc(Cl)cc2Cl)cc1C#N 77076524 CLMJZPHSGGHQSN-UHFFFAOYSA-N 266.127 4.687 30 10 CJEE C[C@](C#N)(NC1CCCCCC1)c1ccc(F)cc1Cl 78900836 YOLJLDVEVHLNHV-MRXNPFEDSA-N 294.801 4.530 30 10 CJEE CC(C)CCOCCC1(C#N)CCC(C)(C)CC1 87940111 RPAXMIKQSVOAPM-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE N#Cc1ccc(NCC2CCCCCC2)cc1Cl 89557257 YMMDRDNKHAKDAR-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE Cc1cccc(Cl)c1-c1cc(Cl)ccc1C#N 90535308 SEFLVEQLRBMFTE-UHFFFAOYSA-N 262.139 4.841 30 10 CJEE CCCCCCCCCCNC(=O)c1scnc1CC 104054407 BJIVKPCDCAYMBV-UHFFFAOYSA-N 296.480 4.576 30 10 CJEE C/C(=N/Cc1ccccc1)c1cc(Cl)cc(Cl)c1O 106913264 GBGLMAKHLWWEEE-ZDLGFXPLSA-N 294.181 4.708 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(F)cc1 109709013 XJJRGSKQUVFJGR-UHFFFAOYSA-N 250.357 4.688 30 10 CJEE C[C@H](CCNc1cc(Cl)ccc1C#N)c1ccccc1 109788101 JTYQRYPLRMHRLV-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE Cc1cc(Br)cc2c(CC(C)C)c(C#N)oc12 110162478 WKRDRBNGPPWDKL-UHFFFAOYSA-N 292.176 4.574 30 10 CJEE CSc1cccc(Nc2cc(Cl)ccc2C#N)c1 110250812 VVTVRMMUHWAHAP-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCC[C@](C)(N)c1ccccc1Br 112882720 NHYGVODHAOJGJE-HNNXBMFYSA-N 298.268 4.984 30 10 CJEE CCCCCCCc1n[nH]c(N)c1-c1ccccc1Cl 113077761 GKJVFTZFBQUNDS-UHFFFAOYSA-N 291.826 4.825 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCC)C12CCCC2 117341570 AXCVTAMVDVOUCJ-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCn1ccc([C@@H](NC)C2CC2)c1 118248614 KNAUHNBNNGCGOR-KRWDZBQOSA-N 262.441 4.519 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(C)cc1C 122205932 KLJZHOBTNRDXOM-SFHVURJKSA-N 276.468 4.949 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCc3sc(Cl)cc32)cc1 127302035 QWIFGNCDHPYWSI-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE CCCCCCCCn1cc2c(c1)C(=O)CCCC2 128520257 BCMLOYUXAXLQQM-UHFFFAOYSA-N 261.409 4.758 30 10 CJEE C[C@@](O)(c1cccc(Cl)c1)C1(C#N)CCCCCCC1 156790039 OXKIRJSNXRPNFW-MRXNPFEDSA-N 291.822 4.802 30 10 CJEE C=C[C@](C)(CNCCC)Cc1cccc2ccccc12 158769874 XFMCOTZZISXDIQ-IBGZPJMESA-N 267.416 4.574 30 10 CJEE C=C(Cl)CN[C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 160995772 YHGJBTPEVZMBCC-ZDUSSCGKSA-N 283.802 4.661 30 10 CJEE N#Cc1cc(F)cc(CNc2ccc3sccc3c2)c1 163047859 ROMFQWSIWFSYBP-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE C=C(C)CC[C@@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 164506520 MLCGBEZEUMIGSA-QGZVFWFLSA-N 273.464 4.827 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cncc2ccccc12 165034289 FHZQYCXLVNJENA-KRWDZBQOSA-N 293.757 4.565 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)c(C(F)(F)F)c1 203378515 XEKNDCGRFRNHLL-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc(Cl)c(F)c1 215059386 RJDJZDCTQFIYNE-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C=CCC[C@H](C)Nc1cccc(-c2csc(C)n2)c1 228820969 NAHLLUPBFSADPO-LBPRGKRZSA-N 272.417 4.885 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N 228887283 PIMLSHWAUAQRMM-MBNYWOFBSA-N 274.433 4.517 30 10 CJEE C=CCCCCC[C@H](COc1ccccc1)NCCC 233163493 WNUQLLHGDPYPHU-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(Cl)cc2)c1C#N 235251737 OOYFSXCMNWKMJF-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCCCC[C@]1(C#N)C[C@H]2CC[C@H]1O2 250813334 ICKLUMVYKOSGAF-BRWVUGGUSA-N 263.425 4.978 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H](C(C)(C)C)CC2)C1 251498495 DNUIUOBTOCKZER-BDXSIMOUSA-N 290.495 4.853 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@H](CS)c2ccccc2)C1 251841004 QTWOBXNODKUVRA-OIISXLGYSA-N 278.461 4.685 30 10 CJEE COc1ccc(C=Nc2ccc3ccccc3c2)cc1 254569951 ZKRQVKVNBHYPNW-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1C(C)(C)CS 259370506 VLTJKEPXPXVUNA-UHFFFAOYSA-N 250.451 4.808 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 310922404 RKSDHNCLRPZAAN-RISCZKNCSA-N 263.768 4.559 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCCC23CCCC3)c1 311700933 MALALKRLGYCADD-QGZVFWFLSA-N 253.389 4.583 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cn[nH]c1 311758719 USZZSHURSZLZNW-MRXNPFEDSA-N 265.445 4.721 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(COC)CCCC1 312938047 QSZSRVVWMGETEA-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C[C@@H](Cn1ccc2c(C#N)cccc21)C1CCCCC1 313456476 CMCBYQSYHZFLFY-AWEZNQCLSA-N 266.388 4.729 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCC[C@H](C)C2)c(Cl)c1 317432947 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BQATXRRXTPPNRC-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE CC(C)C[C@H]1CCCN1CC1(CS)CCCCCC1 396970059 JBSSCJXOZYCMCZ-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE CCC[C@H](/N=C1/N[C@](C)(C(C)C)CS1)c1cccs1 398564808 JKKXLCIUXIZDBV-WFASDCNBSA-N 296.505 4.696 30 10 CJEE CC(C)[C@]1(C)CS/C(=N/[C@@H](C)c2ccc(Cl)cc2)N1 398603508 WZUATIHCSJRJKN-NHYWBVRUSA-N 296.867 4.508 30 10 CJEE CCCCCCCOC[C@H]1CCC[C@@H](NCCC)C1 403793116 JAVWHWQADDSXDE-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)O[C@@H]1C 686464347 NRLJNLLKQQIDPU-HZMVEIRTSA-N 269.473 4.529 30 10 CJEE C#CCCCCCNc1c(Cl)cccc1C(F)(F)F 686682124 YWXOAYRYJXZKKL-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(F)ccc1Cl 686690858 KFGLCVIHRYMDPD-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CCSc1cccc(N[C@@H](CC#N)c2ccccc2)c1 690156493 COBOZFCCKQFKRV-KRWDZBQOSA-N 282.412 4.865 30 10 CJEE Cc1c(Cl)cc(N[C@@H]2CCCC[C@H]2C#N)cc1Cl 690267567 IVWUICDSGPTOHV-IINYFYTJSA-N 283.202 4.796 30 10 CJEE CCCCCCCCCN(C)C1(C#N)CCCC1 690411603 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UZYVFYXFHRRFGB-CYBMUJFWSA-N 288.357 4.851 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708029150 QBRLFYDLXDXLRJ-RISCZKNCSA-N 269.310 4.995 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CCCC2(CC2)C1 710143008 VWNPWHRTPPXRHM-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)cc1OC 710581376 DBAOYRYQEGUKNU-CYBMUJFWSA-N 288.218 4.532 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnn(C)c1Cl 712481865 RRESTQHOPGNZQR-AWEZNQCLSA-N 286.847 4.638 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 715704430 JQBBFHRBCVHDDK-VKUBSOMUSA-N 275.480 4.783 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H](C)CO1 718493068 QUYMPJQNMMKOEL-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)CC1CCCCC1 720971561 WVROCBFGMAMTHD-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@H]2CC2(C)C)CC1 722607502 KCYQTGVXDIYLCI-XOYHFGRZSA-N 250.426 4.844 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(C)cc(Cl)c2)CC1 724548761 FZVOZSRISSJZNF-INIZCTEOSA-N 263.812 4.785 30 10 CJEE 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299.446 4.631 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CCCC1(C)C 2352311189 CFYYNTIHDJYJKD-YOEHRIQHSA-N 285.541 4.869 30 10 CJEE C=C(C)CC[C@H](NC)C1CCC(CC(F)(F)F)CC1 2353652768 VZQYPUUXUDWGIS-RUXDESIVSA-N 277.374 4.690 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2c2ccccc2)CCCC(F)(F)C1 2357828537 ZFERUYDCWULWHJ-HRCADAONSA-N 275.342 4.899 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1cc(F)cc(F)c1 2360326116 DDQYIIBCAXYBPF-LRDDRELGSA-N 299.430 4.703 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1CCC1(F)F)NN 2360487954 ZJBAHRSHAYMKRN-GJZGRUSLSA-N 288.426 4.561 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc2c(c1)CCCC2 20547998 LAVCPDLQLAHUKA-AWEZNQCLSA-N 276.383 4.610 30 10 CJEE C=CCOc1ccc(CNc2ccc(C(C)C)cc2)cc1 21799022 LZSZASGWHAJUQJ-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1 35285601 SPLRETAREKCOFJ-JTQLQIEISA-N 261.777 4.556 30 10 CJEE C[C@@H](CCc1ccco1)Nc1ccc(C(C)(C)C#N)cc1 36922338 NLPWJDRVZSTFKG-AWEZNQCLSA-N 282.387 4.514 30 10 CJEE CCCCN(CCCC)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 37146850 AIGDDMOTACVGRT-GVDBMIGSSA-N 264.457 4.607 30 10 CJEE N#CCc1ccc(-c2ccc(F)cc2)c(C(F)(F)F)c1 47205221 JORNBNLPWCHQJQ-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)Nc2ccccc2Cl)c1 49670632 AAUYJGPZIOSQDW-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE Fc1ccc(/N=C2/NC3(CCCCC3)CS2)cc1Cl 53097485 GXFLXDUBBMGILQ-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2cccc(F)c2)c1 57695394 QLOUDSUQWFGMAK-OAHLLOKOSA-N 283.346 4.519 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 71132149 RXINTAYCEMJCMS-SMDDNHRTSA-N 297.320 4.925 30 10 CJEE C=CCSc1ccccc1NCc1ccn(CCC)c1 91012301 KLWHHKHYKXCPDR-UHFFFAOYSA-N 286.444 4.788 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)CC1 91903437 PAIFJNDFYIXKBV-WMZOPIPTSA-N 277.452 4.962 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@@H]1CCSC1CCCCC1 93580905 ADXDQYZQCQXOOP-WBVHZDCISA-N 294.508 4.503 30 10 CJEE Cc1cscc1C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 94247766 QPSNHHSVGOSSPP-HNNXBMFYSA-N 283.396 4.670 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(C)ccc1OCCC 107584610 YSQSGNHWSFWBKN-HOTGVXAUSA-N 258.405 4.937 30 10 CJEE CCOc1cc(OCC)c([C@H](C)CCC#N)cc1Cl 107676008 KFRUZNSTOGEKOV-LLVKDONJSA-N 281.783 4.545 30 10 CJEE CCCC[C@@H](CC)CNc1ccc(C#N)c(Cl)c1 110162897 YOSQACVQXJZPMJ-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCCN(C)C1 110167579 DRYAMULSKXPXOG-IBGZPJMESA-N 296.543 4.839 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)OCCCO2 115653064 YDRPKLCXXYIDKQ-INIZCTEOSA-N 292.419 4.632 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(C#N)c1 116384012 DTDMVJBUDQOAKG-HNNXBMFYSA-N 284.790 4.645 30 10 CJEE CCCCCCCC[C@H](NC)[C@](C)(CC)N(CC)CC 118156965 MUDLESHZYNWXMU-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCNC1CCC(OC)CC1 130090653 RTCAKPCLPXLZHJ-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CCCCCCCn1nc(CC)c([C@H](CC)NC)c1CC 131087191 KDYUVLPHPVOCEW-HNNXBMFYSA-N 293.499 4.649 30 10 CJEE CCCCCCCCCC[C@H](CCCCC)NN 131276644 PZKWNRCZRPVSQS-INIZCTEOSA-N 256.478 4.929 30 10 CJEE CCCCCCCCCN1CCC[C@@H](C(C)(C)C(=O)O)C1 135024887 GTPDYQPUQFGFDC-MRXNPFEDSA-N 297.483 4.560 30 10 CJEE FC1=C(F)[C@]2(F)C(F)=C(F)C(F)(F)[C@]2(F)C(F)=C1F 138861782 GFZNBPMSRVLSRB-YUMQZZPRSA-N 298.079 4.517 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](OC)C(C)(C)C 158205744 PZUJVTUNDIHCTA-GJZGRUSLSA-N 258.446 4.549 30 10 CJEE C#CCC[C@@H](CCCCCCCCCCC)NC 165974195 RFFPTZICULWXQG-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CCCCCCCCCC[C@@]1(CN)CCO[C@H]1C1CC1 166102009 CQXQVKQFPYZYFL-ROUUACIJSA-N 281.484 4.661 30 10 CJEE C=C(Cl)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 167727149 GRDUIIBDRXRTNP-ZETCQYMHSA-N 282.573 4.536 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(O)C1(C#N)CCC(C)(C)CC1 214829498 MDVJCJLSVQIYFG-QAPCUYQASA-N 277.452 4.674 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 226200334 LUZBTIMSOLIJAW-ZETOZRRWSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C=C[C@H](N)C1 226565534 HSGPDYRYSVGIGO-SJORKVTESA-N 279.468 4.770 30 10 CJEE N#Cc1ccc(Oc2cccc3ncccc23)c(Cl)c1 231098158 RVICCEBJJUYGHQ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#CC1(Cc2cc(Cl)ccc2F)CCCCCC1 231191344 SDRWSEZHFLYYCY-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE C=CCCCCCC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 232564830 CZDFZDZUOVJOCC-WDSOQIARSA-N 268.400 4.668 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncccc1Cl 232920691 DELMZAVEZLAXGC-CQSZACIVSA-N 268.832 4.746 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(C)cccc1C 232929014 PQOTWLLKLLDSAX-MRXNPFEDSA-N 262.441 4.558 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccoc1Cl 232954462 MLZCFAWMHJMOGW-CYBMUJFWSA-N 257.805 4.944 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(C)c1F 233545654 PEHVNNOKKUHVFV-INIZCTEOSA-N 263.400 4.921 30 10 CJEE C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 235545717 AYGVVQFGXXKXLS-BBRMVZONSA-N 270.420 4.724 30 10 CJEE C=CCCCCCC(=O)c1c(F)ccc(C)c1F 235753120 YTIVGTBKUNAKFL-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE Cc1ccc(Nc2ccc3ccccc3c2)c(C#N)c1 235992665 LUVIDUOGHXEPDE-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CCCN[C@]1(C#N)CCC[C@H](S[C@H]2CCC[C@H](C)C2)C1 250719368 ALDFYMMQMRFRRA-LUKYLMHMSA-N 294.508 4.503 30 10 CJEE C[C@H]1CCCN(CCCCCCCCCS)[C@H]1C 252974236 UPPOSYJTTXLNNW-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE CC[C@H](C#N)CNc1ccc(C2CCCCC2)cc1 258930494 HTKOXCQGHKWPLD-CQSZACIVSA-N 256.393 4.696 30 10 CJEE Cc1cc(C2(CC#N)CC2)ccc1OCc1ccccc1 260479230 KXNNXUBKUGOKGJ-UHFFFAOYSA-N 277.367 4.519 30 10 CJEE N#CC[C@H](c1cccc2[nH]c(C(F)(F)F)cc12)C1CC1 260511494 MLGAXGPGSCFWFR-JTQLQIEISA-N 278.277 4.594 30 10 CJEE C[C@H](Nc1ccc(C#N)cn1)c1cc2cc(Cl)ccc2o1 301297480 YKXFQCOVBDAECJ-JTQLQIEISA-N 297.745 4.526 30 10 CJEE C[C@H]1CCCC[C@]1(C)Nc1ccc(C#N)cc1Cl 308731507 UCYMIEPCUVTMAK-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2ccccc2)C1 309643643 PMBTUNVMNZBJJY-QRVBRYPASA-N 298.474 4.863 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2snc3ccccc23)C1 311335638 IGRLIDHTJHLQKV-WBMJQRKESA-N 270.401 4.658 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCC1(C)C 311851169 OYILNXCIBXQFAP-CVEARBPZSA-N 263.469 4.621 30 10 CJEE C=CCSC[C@@H](NCCC)c1ccc(CC(C)C)cc1 312360681 OGCYMVYZNCBPGY-GOSISDBHSA-N 291.504 4.845 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@H](C)[C@H]1CC 383948774 SKFAPOOZWJOLCR-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCc2cc(Cl)ccc21 386470761 HEJHUWZQTDMDOU-HNNXBMFYSA-N 263.812 4.519 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)CC2CCCCCC2)CC1 394621708 LTSYHYJJJPMBSS-INIZCTEOSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCNC[C@H](C)CC(F)(F)F 396936145 WTOAPUWTCYLCEQ-CYBMUJFWSA-N 267.379 4.915 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404237752 AVDUKESWUAHFCZ-CPCISQLKSA-N 289.593 4.751 30 10 CJEE C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F 512612639 PRNYEGZHOWCJSF-ILXRZTDVSA-N 296.389 4.540 30 10 CJEE C#CCCCCCNc1cccc(SC(F)F)c1 686688471 UNDULDAEYSZRQE-UHFFFAOYSA-N 269.360 4.607 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)C)CCCC[C@@H]1C 686703072 UYINMBSDBUNVKZ-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@H](N)c1cc(COC)cs1 690000858 BOLOKZMEYJKZAJ-AWEZNQCLSA-N 269.454 4.645 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CCOC1(C)C 693203833 ZJKKPCRNFVOQAW-GOSISDBHSA-N 283.500 4.920 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@@H]2CCCC[C@@H]2CS1 694632519 CBJYBNQYVZQQCC-FVQBIDKESA-N 294.508 4.597 30 10 CJEE CC[C@@H](Nc1ccc(Cl)cc1C#N)c1ccsc1 695661784 SHMSSYQZALSTBB-CYBMUJFWSA-N 276.792 4.836 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCc2sc(Cl)cc21 701865747 WCMLHBJZNXQRKD-LBPRGKRZSA-N 283.868 4.971 30 10 CJEE C=C(CC)C[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712610584 SKTUJGCOCVYCEG-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCO[C@H]1CCCC(=NO)C1 712721104 HUDBRSBVOYFSQX-HNNXBMFYSA-N 255.402 4.526 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 715705196 MNTDIMAZMAKORJ-YJNKXOJESA-N 291.401 4.936 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 715792539 CEWHRFVQOCNDJS-NXOAAHMSSA-N 251.458 4.641 30 10 CJEE C=CCCC(C)(C)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 717914925 AQBHKJVXFKRZCN-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CCCCCCC[C@@H](C)NCc1nc2c(s1)CCCC2 719527480 JGBDXEYQDQHTAE-CQSZACIVSA-N 294.508 4.861 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 724372544 AWAWWIYYHGZXMB-YSXWNCMOSA-N 280.452 4.756 30 10 CJEE O=C(/C=C/c1cccc(O)c1)c1cc(Cl)cc(Cl)c1 755705208 NREHIJPTIXHDJI-SNAWJCMRSA-N 293.149 4.595 30 10 CJEE C=C(C)C[C@H](C)C(=O)Oc1c(Cl)cccc1Cl 767044960 CZMRAPLKRAXVIU-VIFPVBQESA-N 273.159 4.501 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1cccc(Cl)c1Cl 1124324058 VRAVHZYLESHFFY-ZDUSSCGKSA-N 273.159 4.501 30 10 CJEE C=CCC[C@H](NC(=O)[C@H](C)CCCC)c1ccccc1 1127383524 DEJOCQYQZKCBDR-WBVHZDCISA-N 273.420 4.636 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2sccc2c1 1130905089 VGDODDAJAZEKKP-CZUORRHYSA-N 299.439 4.766 30 10 CJEE CCCCCCCCC(=O)Nc1ccc2cc[nH]c2c1 1155932385 NZOHVFHAWKGNKB-UHFFFAOYSA-N 272.392 4.857 30 10 CJEE CCCCCCCCCN1CCc2c(F)cccc2C1 1168235894 ZHVJPAPYIXBDEB-UHFFFAOYSA-N 277.427 4.934 30 10 CJEE C=C(C)CCN[C@@H](CCc1ccccc1)c1ccccc1 1168604339 NRPWJAAQAYUZKT-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE C=C[C@H]1CCCCN1CCCOc1ccc2ccccc2c1 1169863932 LVSNOQHOESNVQV-IBGZPJMESA-N 295.426 4.649 30 10 CJEE C#CCN(CC12CCC(CC1)C2)[C@H]1CCCc2ccccc21 1176452598 LEHBMMKNSJPDKE-SGDIKTSBSA-N 293.454 4.580 30 10 CJEE C=CCCCCCN1CC[C@H](c2ccccc2C)C1 1190692494 YLOJTOKHTVRVFR-KRWDZBQOSA-N 257.421 4.531 30 10 CJEE C=CCCCCCCCCN1CCC(CC#N)CC1 1209444048 LTFPBGNLBOQZGQ-UHFFFAOYSA-N 262.441 4.529 30 10 CJEE CCCCCCC[C@H](C)NC1CC2(C1)CC(F)(F)C2 1258040728 HKGUGEHYJXZZMB-ZDUSSCGKSA-N 273.411 4.903 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C)c3ccccc32)CCCC1 1264540836 BWJFZZOFULZRDV-HNNXBMFYSA-N 283.415 4.663 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H]1CCCCC)c1ccccc1 1266104025 DHRGVIJXOXEAGN-IEBWSBKVSA-N 299.458 4.918 30 10 CJEE C#CCCCCCCN1C[C@@H](c2ccccc2C)C[C@H]1C 1307492247 ZRHUOHQDLMGAGW-MOPGFXCFSA-N 283.459 4.757 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N(CCC(C)C)C1CCCC1 1312364194 AGRKRJUKQVVNJQ-MRXNPFEDSA-N 294.483 4.732 30 10 CJEE C#CCCCCCC(=O)N(C1CCC(CC)CC1)C1CC1 1356144836 BZJLGJKPEHDYGU-UHFFFAOYSA-N 289.463 4.530 30 10 CJEE C=C1CCC(C(=O)O[C@H](CC)c2ccc(F)c(C)c2)CC1 1435811441 ZMHRCZPUEYYIJM-QGZVFWFLSA-N 290.378 4.875 30 10 CJEE C=CC[C@@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)c1ccccc1 1459507911 DRFJJNDYZRFTRQ-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE 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C=CCCCC(=O)Cc1c(C)c(C)c(C)c(C)c1C 2277467857 WTAFHBVQKQOSGO-UHFFFAOYSA-N 258.405 4.697 30 10 CJEE C#CCCCC[C@H](NC)c1sc(C(F)(F)F)cc1C 2277675222 DSMFHMBFKFWXLW-NSHDSACASA-N 289.366 4.529 30 10 CJEE C#CCCCC[C@H](NCCC)c1ccc(CCC)cc1 2283484621 VPGDWRMVIQTPEX-IBGZPJMESA-N 271.448 4.873 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](C)N(C)CC=CC#CC(C)(C)C)C1 2284179516 QGWQYRFIPYBESX-KURKYZTESA-N 275.480 4.739 30 10 CJEE N#C[C@@]1(C[C@@H]2COC3(CCC3)C2)CCCCC12CCC2 2284778247 YEBKBCUMVOGCFC-RDJZCZTQSA-N 273.420 4.590 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C#N)c(C(F)(F)F)c1 2286977825 MZRSJSIPWGBSOB-GFCCVEGCSA-N 285.309 4.925 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1Cc2ccccc21 2287413948 MMLJOFPJVQHUSQ-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=C1CCN(CCCCCCCCCCCCO)CC1 2289418551 DFTOMMCLWZOJPI-UHFFFAOYSA-N 281.484 4.532 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1CCCCCCC1 2289707080 ZPOOPGOUIOOFQQ-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1C[C@@H]1C(C)(C)C 2289856281 ZXVWYWXQDSWMJH-FGTMMUONSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCCC[C@@H]1C 2290915039 NXAXWDWWHJJWAI-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@H](C)CC(C)C 2292784771 OCDLMKIJILVPFU-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE CC#CCCCC[C@H](CCCCCCCC)OCCN 2292827731 HGBFDJVNTCABFA-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccccc1F 2293235614 IPOYAQGNEOSIAJ-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE C=CCCC[C@@]1(OCCCN)CCC[C@H](C(C)(C)C)C1 2293893886 VLUBDZVDFJYMGE-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nccc(C)c1F 2295589537 KJUXKLLOVRLTOS-QGZVFWFLSA-N 280.431 4.844 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@]1(CN)CCC[C@H]1C 2295590340 SHEVFOLWORUVCH-FGTMMUONSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCN(C)C1(C)C 2295676709 NNNWULKNPNIEMS-IAGOWNOFSA-N 282.516 4.588 30 10 CJEE CCOc1ccccc1NC(C)=CC(=O)c1ccc(C)cc1 2297351411 IOFQMIZHESWOFV-UHFFFAOYSA-N 295.382 4.592 30 10 CJEE Clc1cccc(Cl)c1N=CC#Cc1ccccc1 2297672185 OPHKORGKYWYMFY-UHFFFAOYSA-N 274.150 4.747 30 10 CJEE C=CCC[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2302404785 BYBSPZOOEKJFRZ-AWEZNQCLSA-N 273.203 4.643 30 10 CJEE C#CCCCC[C@@H](O)c1c(Cl)cc(C)cc1Cl 2307624648 ACPNHDAHJVIPGR-CYBMUJFWSA-N 271.187 4.529 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309149501 HDNSMJYOFIHRGS-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCNC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C 2313081221 GZROSZZOBXFFLO-ARFHVFGLSA-N 251.458 4.619 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC(=O)CC2(CCC2)C1 2313704853 OGSMVILRVCYDNC-OAHLLOKOSA-N 264.434 4.532 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 2316750122 QPLPFQOOFADZSJ-BMFZPTHFSA-N 250.426 4.578 30 10 CJEE O=C(C#CC1CCCC1)c1cc(F)c(Cl)cc1Cl 2325267407 VRIJBIGUOFMMPB-UHFFFAOYSA-N 285.145 4.509 30 10 CJEE CC1(C)CC=C[C@H](OC[C@@](C)(CS)C(C)(C)C)C1 2327116121 QSQLHEQTJAUTAN-BBRMVZONSA-N 270.482 4.730 30 10 CJEE C=CCN(CC=C)N=Nc1ccc(CCCC)cc1 2330164779 SNXKSBDSEOGYKI-UHFFFAOYSA-N 257.381 4.702 30 10 CJEE C=CCC(CC=C)SCc1cc(C)cc(NCC)n1 2335099002 QHYGWJWOJUZMHR-UHFFFAOYSA-N 276.449 4.576 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1cc(C)cc(C)c1 2335103081 GXDXDLYHGBUKJV-WBVHZDCISA-N 277.477 4.652 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](C)N)c(C(F)(F)F)c1 2335237806 ISCMHAIBMDLUHB-UWVGGRQHSA-N 289.366 4.782 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H]1CCCC(C)(C)C1 2337096916 JEBRWGWKYDNVOQ-HZMVEIRTSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)cc(C)c1 2337114230 OJQYRAQVWCDTHZ-JZXOWHBKSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@H](C)C1 2338733548 TXXMUMDHXREEMC-JQHSSLGASA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H](C(F)F)C(C)(C)C)NC 2338747750 SUOSUZSECZNCPU-KGLIPLIRSA-N 273.411 4.660 30 10 CJEE COc1c(Cl)cc(C[C@]2(C#N)CCC[C@H]2C)cc1Cl 2339971462 PRRUGUNGJNGZMF-BMIGLBTASA-N 298.213 4.874 30 10 CJEE CC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341114083 JECZPQJJOAPUAG-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2344010901 GKAUAKJUKUUYIT-RMEBNNNOSA-N 267.363 4.778 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cnc(C(C)(C)C)s1 2344385319 OSBNZDQARGTAIN-CZUORRHYSA-N 280.481 4.694 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccccc1C(C)C 2344395044 HNVXNWMROUJLIX-QZTJIDSGSA-N 259.437 4.672 30 10 CJEE CN(CCCCC(C)(F)F)C[C@](C)(CS)C(C)(C)C 2352087714 XHCXEDMQGHCXIK-CQSZACIVSA-N 295.483 4.726 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@]1(C)C1CCC1 2352100468 RJBOXIPABSADFG-SJORKVTESA-N 283.525 4.623 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352800937 ARTRIZDQUJMTQS-YIYPIFLZSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(CC(F)(F)F)cc1 2353086026 WHAIJVIORUMQEF-UHFFFAOYSA-N 270.294 4.576 30 10 CJEE CC[C@@H]1CCC[C@@H](N(C)C[C@@H](CS)CC(C)C)CC1 2353846204 SPFCAEZGGIICJH-IXDOHACOSA-N 285.541 4.869 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@H]2C2CCCC2)CC1 2357698031 NDNFAERHPLAVQT-IPMKNSEASA-N 275.480 4.927 30 10 CJEE CCCCCC#CC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2358137704 WEAATTRZVLFNEH-INDMIFKZSA-N 275.480 4.894 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219950 PCSIDPLLLMUDCL-CJNGLKHVSA-N 293.838 4.664 30 10 CJEE c1ccc(C/N=C(/Oc2ccccc2)c2ccccc2)cc1 15769087 KQUPWUACXWYBGR-QZQOTICOSA-N 287.362 4.712 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156542 CCKNHMQTCAOYJZ-UEKVPHQBSA-N 281.371 4.775 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 37306377 GHBXKTBGCNZDCB-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE C=CCSc1ccccc1NCc1ccc2c(c1)CCO2 37766670 YSPPOPMXOQWNKR-UHFFFAOYSA-N 297.423 4.512 30 10 CJEE C[C@H](CC(=O)NC1(C#N)CCCCCCC1)CC(C)(C)C 40222169 YLEVQPOJGQPTOB-OAHLLOKOSA-N 292.467 4.572 30 10 CJEE Cc1cccc(CSc2cccc(Cl)c2C#N)c1 54965690 WFOVFYQCJLTCQJ-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE CCCCCCC[C@H](N)c1ccc(Br)cc1 59082360 BTWKXJRIUVNYGY-AWEZNQCLSA-N 284.241 4.809 30 10 CJEE CCCCCCCOc1cccc2c1N[C@H](C)CC2 59089490 VROWZHCHHZPGMZ-CQSZACIVSA-N 261.409 4.782 30 10 CJEE CCCCCCC[C@H](C)NCCCOCc1ccco1 59090289 DMZISVSLFWBICQ-INIZCTEOSA-N 281.440 4.525 30 10 CJEE CSc1ccc(/C=N/c2cc(C)ccc2C)cc1 59459036 UXTSSUSDAGGJCQ-GZTJUZNOSA-N 255.386 4.776 30 10 CJEE C[C@H](C#N)[C@@H]1CCCC[C@@H]1c1ccccc1Br 62707335 UCCHJICDJQLOTG-AGIUHOORSA-N 292.220 4.883 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1cccs1 62791097 LLVIJSOTCNDEBS-GFCCVEGCSA-N 276.792 4.836 30 10 CJEE C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccc(C#N)cc1 86900395 RWWLOXYYJIUCAJ-PBHICJAKSA-N 270.420 4.568 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2ccccc2)CC1 86949114 LKZLUWJALDWIJF-RDJZCZTQSA-N 256.393 4.597 30 10 CJEE CCC1CCC(C#N)(CCOc2ccccc2)CC1 87933704 YISJHVCZNLWDHF-UHFFFAOYSA-N 257.377 4.566 30 10 CJEE CCC(CC)N(CC(C)C)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 93309027 RBTGTKMWJUJCDT-JFIYKMOQSA-N 278.484 4.851 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OCCS)cc1 94582532 SKOGEHFMTVEFKE-UHFFFAOYSA-N 266.450 4.709 30 10 CJEE CCCCCCC[C@H](Cc1cccc(Cl)c1)C(=O)O 103061175 GXOASORCYNJXJB-CQSZACIVSA-N 282.811 4.944 30 10 CJEE CCCCCCC[C@@](C)(NC)c1nc(C)c(C)s1 104439958 SMTUPOUQHJOBTK-OAHLLOKOSA-N 268.470 4.555 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(C)cc1 104731533 FVPQEDWDZXKLLZ-QINSGFPZSA-N 265.356 4.502 30 10 CJEE CC#CCCc1cc(C(C)(C)C)ccc1OCCC 107602183 DBMZSDNDJHFGED-UHFFFAOYSA-N 258.405 4.729 30 10 CJEE CCC#C[C@@H](C)Cc1c(C)c(Cl)cc(C)c1OC 107648863 COWGZFZDWBMTKC-LLVKDONJSA-N 264.796 4.557 30 10 CJEE CCCCCCCCCCCCN(CCC)CCNC 110325919 NYQHTFPBUHVEBE-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE C=C(C)CN(CC)c1ccc([C@@H](C)NCCC)cc1Cl 110358124 YQZPXNDELLHKKJ-CQSZACIVSA-N 294.870 4.803 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1C#N 111036940 MGESEIWRGYQPPW-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccccc1Br 111817639 OAWRMNMMZUXLEU-CQSZACIVSA-N 299.252 4.713 30 10 CJEE CCCCCCCn1cc(CCCNC)c2ccccc21 112931940 BAUFXZWZRNGBOD-UHFFFAOYSA-N 286.463 4.764 30 10 CJEE CCCCCCCCCC[C@H](N)CSCCC 114861858 MEWQFFQAZIZOHN-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](C)c1ccncc1 117683264 SPEZNVMSDXYIJY-RDJZCZTQSA-N 262.441 4.653 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccn(C(C)C)n1 125098091 ZGOJWOIBXPVVEF-QGZVFWFLSA-N 280.456 4.508 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1 125661758 TYZCGTULHZGZRC-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(F)c(C(F)(F)F)c1 125735776 RXFHIDMMORFBBO-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCCCC[C@H](NCC)c1c(Cl)cnn1C 129796765 JAHPMNPAQMXAQJ-HNNXBMFYSA-N 299.890 4.865 30 10 CJEE C=C(CN[C@H](CCC)c1cccs1)c1ccccc1 134361741 ZKVCNQPSNDMALF-MRXNPFEDSA-N 271.429 4.892 30 10 CJEE C=CCOc1ccc(CN[C@H](C)C2CCCCCC2)cc1 149997262 GBGHHTQXKUQMRF-MRXNPFEDSA-N 287.447 4.700 30 10 CJEE CCCCCCCCN[C@@H]1CCCc2cc(O)ccc21 159145760 UKMWJBYODPVANR-GOSISDBHSA-N 275.436 4.720 30 10 CJEE CCCCCCCC[C@@H](CC1CCOCC1)NCCC 162554810 NOLAGYKMSOIRCP-SFHVURJKSA-N 283.500 4.922 30 10 CJEE Cc1ccc(Cl)cc1NCc1ccc(C#N)cc1Cl 162567558 CLGZUXWVOBBZCB-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1CCC(C)(C)CC1 164618828 RYRQNTFZYICBQF-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C(C)CN[C@H](CC)c1ccc(Cl)cc1Cl 167474347 VXLIWYCZXMQWLH-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE N#Cc1ccc(CSc2ccnc3ccccc23)cc1F 187964721 YHCUDBYTCKWGBP-UHFFFAOYSA-N 294.354 4.538 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@H](C)c1cccc(Cl)c1 221054043 JNZBQLAAAGMIGI-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2)C1 222241104 QWNNWUWPKZGILX-KBMXLJTQSA-N 259.418 4.638 30 10 CJEE CCC(CC)(CC)Nc1ccc(C#N)c(Br)c1 228189475 JILCPSUWXLOGOD-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(F)c(Cl)c1 231060959 JDBRIZVUNWYTHM-CYBMUJFWSA-N 272.791 4.743 30 10 CJEE C=CCCCCCOc1ccc(Br)cc1 232475458 OQCVGFZGDHMHDT-UHFFFAOYSA-N 269.182 4.574 30 10 CJEE CCCCCCCC[C@H]1CNc2c1cccc2[N+](=O)[O-] 232929451 JKOLFXSNQLPZQC-ZDUSSCGKSA-N 276.380 4.855 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccnc(C)c1 232935343 PYARFQYZGIRTQV-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCC1(CNc2cccc(SCC)c2C#N)CC1 233056991 JSMKYNVPLZRGAD-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](CCC)OCC 233163935 YIPWAZKKSDSHJH-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@@H](COc1ccc(Cl)cc1)NCC 233536448 GZLVJNGDOYKYPX-INIZCTEOSA-N 295.854 4.833 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccccc1SC 234461888 FTRJKAODGWSCRH-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE Cc1ccc(C)c([C@@H](C)Nc2cccc(C)c2C#N)c1 235249743 BGDNWOYCFVYHDP-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2csc3ccccc23)CC1 235378442 HAKWSAPWUUFGGY-LBPRGKRZSA-N 270.397 4.759 30 10 CJEE CCCCCCCCCCCC[C@]1(N)C[C@H]2CC[C@H]1O2 250811350 HMRASBCUCNTHMI-KURKYZTESA-N 281.484 4.946 30 10 CJEE CC[C@H](C#N)c1ncc(-c2cc(C(C)C)ccc2C)[nH]1 259178693 VVOMLOSOXJEAMN-CYBMUJFWSA-N 267.376 4.526 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CCCC(F)(F)C1 302318618 CAXWDZINBCHQOB-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE N#C[C@]1(C[C@H]2CCCC(F)(F)C2)C[C@H]2CC[C@H]1C2 302324357 CMNQVIQTXVWVPT-RFQIPJPRSA-N 253.336 4.532 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CCC(F)(F)C1 302389583 PHCAQIJMHMEYDI-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)CC1 307932772 YPYMTJIUPZJVSH-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE O=CC1(C[C@@H]2CCC3(CCCCC3)O2)CCCCCC1 316360672 ACQIIBMOWLCSBL-INIZCTEOSA-N 278.436 4.798 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 318657730 BRYXLDNEKRJWLG-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CC[C@H](C)C1 319214702 MFOGJGMAKAZXMX-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCC[C@@H](C)Oc1c(C(C)=NO)ccc2ccccc12 379727107 LBSUSRVVCVTRNQ-GFCCVEGCSA-N 271.360 4.605 30 10 CJEE C=C[C@](C)(CCCCC1CCOCC1)CNC(C)(C)C 383454047 LPCUGPPMFPYBHC-GOSISDBHSA-N 281.484 4.554 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1c(F)cccc1Cl 384907801 XXYZFOOGZBFEFD-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCC(CS)(CCC)CN(CC)CC(C)(C)C 386038039 ZHIMNMMFOHFJSU-UHFFFAOYSA-N 273.530 4.871 30 10 CJEE CCCC(CS)(CCC)CN(CC)C(C)(C)C 394335415 SMKQHYRNZAGVKB-UHFFFAOYSA-N 259.503 4.623 30 10 CJEE C=CC(C)(C)CN[C@H]1CCCC[C@H]1C1CCCCC1 395500412 KDGSOYLQNLXXHQ-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1ccc(Cl)cc1 397492705 AYLUVYOGNUOEEC-JTQLQIEISA-N 253.798 4.618 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCOc2c(C)cccc21 398063343 IHTZJCJIOQDVAQ-DOTOQJQBSA-N 273.420 4.543 30 10 CJEE C=CCCC[C@@H](C)N[C@H](c1ccccc1)c1ccco1 398205637 YAAGUYIWZFEGRG-CRAIPNDOSA-N 269.388 4.703 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)C[C@H](C)CC 400811369 XOIFRZDUJUJNBR-CVEARBPZSA-N 269.473 4.850 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CCOC1)NCC 400964355 JUMZZBXITFRFCO-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc2occc2s1 669675551 KPJUSLMKRKKCAH-UHFFFAOYSA-N 297.379 4.865 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@]12CCCC[C@@H]1C2 686693621 PQNUGSUUCPTYAF-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H](CC)CC(F)(F)F 686704487 WDZLGMAPWDQDDJ-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C)cc(N)c1 687313845 FDRAQLURFZEDAB-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCc1ccc(CC)c(Nc2ccc(C#N)c(F)c2)c1 689596129 NISBYRMZGORSQQ-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE C=CCOCCCNC(CCCCC)CCCCC 691810627 FBKJEDZWHSDRAA-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCOC1(C)C 693278098 SYBIANIDPLPLNB-CQSZACIVSA-N 254.414 4.511 30 10 CJEE CC(C)[C@@H]1CCCN(CC2(CS)CCCCCC2)C1 694442698 NHXGVNMMWZPACR-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CCCC1(CCC)CN(c2ccc(Cl)cc2C#N)C1 695660422 WZGFWFKUKLYLOW-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE CCCCCCCCCCOC[C@H]1CCCCNC1 697034912 BEXHYLGIABCNAB-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCSCCCCCN 698132502 ACRMTSJTWWTHOM-UHFFFAOYSA-N 259.503 4.989 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1CC12CC2 698154270 RDPPOBAYDFSWRL-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CCCCCCCCN1CCCCc2cc(N)ccc21 699911883 SGDJRTHHQVCGBU-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CC(C)C1CCC(C#N)(CC[C@@H]2CC2(F)F)CC1 701063082 UIVIVEBQSURJSC-ROKHWSDSSA-N 255.352 4.778 30 10 CJEE C=CC(C)(C)CCNCc1ccc(Cl)cc1Cl 701920316 OJGYFRBQCAHFHP-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE C=CCCCCCCNCc1csc(C(F)(F)F)c1 703372943 BHUGOHUOFUGPEZ-UHFFFAOYSA-N 291.382 4.993 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C#N)CCOc2ccccc21 709239754 YDRWEFFIUYCFFP-KDOFPFPSSA-N 271.404 4.693 30 10 CJEE C[C@H](CNc1ccc(C#N)cc1Cl)CC(C)(C)C 709250144 SMNKYBWEWFSQNO-NSHDSACASA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc(F)cc1Cl)NCCC 710580611 BAGSZTFJWPIGKN-CYBMUJFWSA-N 290.209 4.532 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1ccccc1C)C(C)(C)C 711148110 QASXRUDRTSOYLG-GDBMZVCRSA-N 271.404 4.634 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@@H]21 712381246 ACUYCXXIVVBOQY-LUKYLMHMSA-N 251.458 4.904 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)[C@H](N)C(C)C 713028725 FUFCQDCXZPHHSP-IAGOWNOFSA-N 285.516 4.888 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(O)C1(C#N)CCC(C)(C)CC1 713120346 PJHRCPZIGMJRDH-RDTXWAMCSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](CC[C@H]1C[C@H]1C1CC1)NC 714775078 CAYGRTYIESBBIE-BBWFWOEESA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H](N(C)C)C1 715490488 KNMFWNNWBIKUQQ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716521712 XAMGINZUMWCIHJ-UTSKFRMZSA-N 252.442 4.780 30 10 CJEE CCCCCCCC1(CNC(C)C)C[C@@H](C)O[C@H](C)C1 724288290 GIUJSUWTOOWLOB-IAGOWNOFSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](N)C2CCC(C(F)(F)F)CC2)CC1 724608834 ZLSNZVNBSFNXLI-NRXISQOPSA-N 289.385 4.819 30 10 CJEE Fc1ccc(C#Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 725414494 YCCUSIYVHMFDSG-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE Clc1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1 821229636 NNIQLCMOPADNFS-HTXNQAPBSA-N 285.774 4.671 30 10 CJEE C=CCOCCSc1cc(C(C)(C)C)ccc1C 1164537306 KZDMOAKBKGLRMO-UHFFFAOYSA-N 264.434 4.587 30 10 CJEE C#CCCCCCCNC(C1CCCC1)C1CCCC1 1176365410 PKZWXXJAOLMWOF-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C=CCC[C@H](CC)NCCCc1c[nH]c2ccc(F)cc12 1181739306 IISVMTNOCSASFH-INIZCTEOSA-N 288.410 4.574 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC[C@@H](C)C1 1190456664 COIXQZKZQQUYFJ-SJLPKXTDSA-N 287.447 4.510 30 10 CJEE C=CC[C@@H](C)N(C)Cc1ccccc1-c1ccccc1 1190707663 LHFMJGKRTMULLQ-MRXNPFEDSA-N 265.400 4.750 30 10 CJEE C=CCC1(C(=O)NCC2(CC(C)C)CCCC2)CCCC1 1265937549 KBTYCJMZOVAFCS-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCCC1(CNC(=O)CC2(C)CCCC2)CCCC1 1279011517 QQTQJCUOFPNCAY-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C(C)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1307609291 VQQLPRHWHWLPMZ-CQSZACIVSA-N 271.326 4.568 30 10 CJEE C#CCCCCCCN[C@H](C)c1nc(C(C)(C)C)cs1 1307658869 PSVCMAJFCUJSLJ-CQSZACIVSA-N 292.492 4.675 30 10 CJEE C=CCC[C@@H](CC)NCc1cc2ccccc2s1 1308781521 DKHVISFNUXZHOI-CQSZACIVSA-N 259.418 4.736 30 10 CJEE C=C(C)CCC(=O)N[C@@H](CC(C)C)c1ccccc1C 1360171108 VCGMKDMFAIOAFE-KRWDZBQOSA-N 273.420 4.555 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@@H](CC)C(C)(C)C 1360895266 WCXJQYLHXJGHIU-OAHLLOKOSA-N 267.457 4.654 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C(/C)c1ccccc1 1459419502 UZGHOEPRFLXNFS-NXVVXOECSA-N 291.394 4.847 30 10 CJEE C=C(CC)CN[C@H](COCc1ccccc1)c1ccccc1 1459886364 WPJIDGMGHIVPED-HXUWFJFHSA-N 295.426 4.500 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC1CC1)c1ccc(CC)cc1 1460204733 CDMXDQUEKPUEAN-OAHLLOKOSA-N 285.431 4.594 30 10 CJEE C=CCC[C@H]1CCCN1CCc1ccc2ccccc2c1 1460886277 LDNHMHUTAKYJLO-FQEVSTJZSA-N 279.427 4.813 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc2ncsc2c1 1461994712 MHJXPIMRNSKQLK-GFCCVEGCSA-N 260.406 4.843 30 10 CJEE C#CCCCCCCNc1ccccc1CCC=C 1462146466 FWHKMDYZABAIFS-UHFFFAOYSA-N 255.405 4.801 30 10 CJEE C=CCCCCCN(C)CC[C@@H]1CCC[C@H](C)C1 1473180560 XMJNJRFNWSTZCJ-IRXDYDNUSA-N 251.458 4.881 30 10 CJEE C#CC[C@H](NCC[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1473332220 VMVYNMJJCIIZCA-XFKSJGNHSA-N 283.459 4.803 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1CC 1525311871 HBLORJPPNXOGRM-MOPGFXCFSA-N 299.458 4.808 30 10 CJEE C/C(=C\C(=O)N(CC(C)C)c1ccc(C#N)cc1)C(C)(C)C 1526172170 BZEXRXBWZBDOLU-RVDMUPIBSA-N 298.430 4.540 30 10 CJEE C=CCC(C)(C)C(=O)OCc1cc(Cl)sc1Cl 1544699472 ZIKOPRKBTXVWOH-UHFFFAOYSA-N 293.215 4.700 30 10 CJEE C=CC[C@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 1559360799 BFIXOZLHUOHQFD-QMMMGPOBSA-N 286.322 4.638 30 10 CJEE CC(=O)c1c(C)cc(OCCCCC2(C#N)CCC2)cc1C 1559460432 ODOBTXOYWINWQQ-UHFFFAOYSA-N 299.414 4.749 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H](CC)CC(F)F 1559537643 CDLFLCWUSHXRQR-CQSZACIVSA-N 273.411 4.736 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCC1(F)F 1559993960 OGQLVQFJEJWFSK-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE C=CCCCN(CC)CCn1ccc2cc(Cl)ccc21 1560204778 ZIZJDMZELYQSKO-UHFFFAOYSA-N 290.838 4.583 30 10 CJEE C#C[C@@H](N[C@H]1C[C@H](C)CC(C)(C)C1)c1ccc(Cl)cc1 1560864594 HXKXLDXHMKZOMK-RRQGHBQHSA-N 289.850 4.819 30 10 CJEE C=CCCCCCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1584289982 ZJNLUKWEFCIFIT-DLBZAZTESA-N 291.479 4.868 30 10 CJEE C=CCCCCNC(=O)c1ccc(-c2ccccc2)s1 1585772036 UFLSITPBWVXKIR-UHFFFAOYSA-N 285.412 4.501 30 10 CJEE FC(F)(F)c1cccc(C#Cc2ccc(Cl)s2)c1 1614730650 HCTASRYNNSERMT-UHFFFAOYSA-N 286.705 4.820 30 10 CJEE C#CCCCCCCN1CCCC[C@@H]1c1ccccc1OC 1615444578 CPNNRGFJFAGXOO-LJQANCHMSA-N 299.458 4.806 30 10 CJEE C#Cc1ccc(NC(=O)C[C@H](CC)CCCC)c(Cl)c1 1616349614 HUQXWGQOVFLGJK-CYBMUJFWSA-N 291.822 4.866 30 10 CJEE C=C(CC)CN[C@@H](CCc1ccccc1)c1ccccc1 1616700294 TWKHUDIZCNLNDQ-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE C=C(C)[C@@H](NCC(CC)CC)c1ccc(F)c(F)c1 1617345016 KKWLCLSVVJICCA-MRXNPFEDSA-N 267.363 4.608 30 10 CJEE C=C(CC)CN[C@H](c1cccc2ccccc12)C(F)(F)F 1642681376 GQOYYLVKNFWTLF-MRXNPFEDSA-N 293.332 4.999 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCN(C)[C@@H](C)C1 1652649132 GPQGYICFYSUSHD-ZWKOTPCHSA-N 282.516 4.542 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CC(C)(C)O2 1656622583 KZHMZOLHXXISNC-AEFFLSMTSA-N 299.458 4.625 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cn(C)nc2C2CCCCC2)C1 1658163820 SHQRXZZZBOORBN-ZBFHGGJFSA-N 287.451 4.625 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H](c1ccccc1)C1CC1 1664842637 HZGXBDDFZWZUIO-APWZRJJASA-N 271.448 4.905 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCS[C@@H](C)C1 1665820604 QFCCQONIAPKMLM-SOUVJXGZSA-N 257.487 4.609 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 1667113511 OEVVKZWUKJWUGQ-GFCCVEGCSA-N 280.799 4.515 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2C)c(C)cc1Cl 1878894742 ZISADJRWCDFBKM-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccccc1SC 1879643871 KNJFJDXWAWHQCL-INIZCTEOSA-N 275.461 4.643 30 10 CJEE CC#CCCC[C@@H](CC1CCCCCC1)NCCC 1879645313 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213972654 BLDPCVBLAUZKEH-CQSZACIVSA-N 283.818 4.746 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@](CCC)(C(=O)O)C1 227833731 WHGCOZIYRGZJAL-WMZOPIPTSA-N 297.483 4.702 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccoc1)NC 229207982 BOTXCSDSFYWBMA-INIZCTEOSA-N 251.414 4.551 30 10 CJEE N#Cc1cc(CNc2ccc3sccc3c2)ccc1F 229721624 FOXLLKIJZXMSFV-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCOC2(CCC2)C1 229833088 DYDUTAWUKWZGQG-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(F)c(Cl)c1 231060961 JDBRIZVUNWYTHM-ZDUSSCGKSA-N 272.791 4.743 30 10 CJEE C=C(CNC(C)C)CSc1ccc(Cl)c(Cl)c1 231580982 SCMLUMBLDUEOJM-UHFFFAOYSA-N 290.259 4.640 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(C)cc1OC 232950102 SHHQKIREXAFJGG-MRXNPFEDSA-N 263.425 4.625 30 10 CJEE C=CCCCCC[C@H](N)C1(OCC)CCC(C)(C)CC1 233736020 ZKQZKUOINFXXCH-INIZCTEOSA-N 281.484 4.826 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2C)C1 233923816 JYHLYABJDJUHOQ-COXVUDFISA-N 291.822 4.792 30 10 CJEE C[C@H]1CCC[C@@H](SCc2ccc(F)c(C#N)c2)C1 235679418 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BYYNHLCYDQHSNR-FUHWJXTLSA-N 258.405 4.795 30 10 CJEE CCCCCCCCCCCCNC1CN(C(C)C)C1 381036031 NRRWMOHOXPCTRB-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCN([C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N)C(C)(C)C 382167929 USUHXEGUBDNOBY-BZUAXINKSA-N 278.484 4.851 30 10 CJEE C=CCSc1ccc(Cl)cc1CNC(C)(C)C 384178747 YQCAJWPFJRXEIC-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE N#CCc1sc2cccc(Cl)c2c1C(F)F 396186903 HAIXSJOYKLLLKO-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCSc2c(F)cccc21 398205198 XUEUTPOSBSQSSS-WFASDCNBSA-N 279.424 4.697 30 10 CJEE CCCCCCCCNCC[C@H]1CC1(Cl)Cl 399075183 PZIJQPQXYOKVMQ-LBPRGKRZSA-N 266.256 4.520 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@@H]2C[C@H]2C1 403469719 OGKDSMCENMJCAM-BRWVUGGUSA-N 251.458 4.763 30 10 CJEE N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Cl 514258957 CLLAVLCIRBISKK-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1F 587916698 SUTUMTYSOFZOOR-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccsc1Cl 688008596 XTZHNTGTOQERAI-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCC(CCC)Nc1ccc(Cl)cc1C#N 695662311 WIPFPKLCXLVJLQ-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@]1(CC)CCCNC1 696478999 YYKUKVHBOJAYBG-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CC12CC2 698106816 ARRCPRJKYDARRZ-SJORKVTESA-N 280.500 4.929 30 10 CJEE C=CCCC(C)(C)CNCc1csc(C(F)(F)F)c1 703961636 PLHBEDVBCIRRMY-UHFFFAOYSA-N 291.382 4.849 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC(C)(C)C[C@H]1C 704038455 PBGLBUSDMXUDFF-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(SC(F)F)cc1 709667112 MZLZQNAXSWBFHE-SMDDNHRTSA-N 296.386 4.886 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](NCCC)CCN1CCC 712248284 YBYSWVXYSDNHKH-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]2CCCC[C@H]21 714289830 YYKDYWRMZCQZPF-DAXOMENPSA-N 288.822 4.982 30 10 CJEE CCCCCCCCNc1cnc(C(C)(C)C)cn1 724765008 OUZQMMICGRPUJX-UHFFFAOYSA-N 263.429 4.547 30 10 CJEE CC(C)CCCC/N=C1/N[C@@H](C2CCCCC2)CCS1 725107970 LJKSJLCAIDJNIR-MRXNPFEDSA-N 296.524 4.844 30 10 CJEE 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GTTDZRUZZGINNH-FGTMMUONSA-N 281.484 4.674 30 10 CJEE FC1(F)CCCC[C@H]1CSCCCCCS 2243510991 QCFHYSWRWZMAEG-NSHDSACASA-N 268.438 4.645 30 10 CJEE C=CCCCSC[C@H](N)c1ccc(Cl)c(Cl)c1 2250015691 HSZSVLSPBYMHLH-ZDUSSCGKSA-N 290.259 4.693 30 10 CJEE C[C@H](OCCCCCCCS)C1CCCCC1 2252608201 ARQDKQDBSPFRHN-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE CCc1cc(Cl)ccc1-c1cccc(F)c1C#N 2256536635 SDWXDPFEZSUYQT-UHFFFAOYSA-N 259.711 4.580 30 10 CJEE CCSc1cccc(S[C@H]2C[C@@H]3C[C@@H]3C2)c1C#N 2257862808 JREWZONILZGVQN-ZSBIGDGJSA-N 275.442 4.561 30 10 CJEE C=C(C)CCCC[C@@H](O)C1C[C@H]2CCC[C@H](C1)C2 2259236119 YBOZQIONJAMRKF-YQQAZPJKSA-N 250.426 4.700 30 10 CJEE CCCCCCCCC[C@H](C)NOCC(F)(F)F 2263717281 GQEGKJCSSWRLCW-LBPRGKRZSA-N 269.351 4.599 30 10 CJEE C=CCCCCCC[C@H](N)c1cccc(Cl)c1OC 2267961430 XGXWIVUNHAQQKD-HNNXBMFYSA-N 281.827 4.875 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@H]1CC[C@H](C(F)(F)F)CC1 2271799569 UPRJJXBYLKLDKQ-MGPQQGTHSA-N 277.374 4.819 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CC[C@H](C(F)(F)F)C1 2271799579 URKFXVIKYKPPFU-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(C(F)(F)F)cc1 2271837374 RWZTVRHUHKAJLB-CQSZACIVSA-N 272.310 4.875 30 10 CJEE C=CCCCC[C@@H](NCCC)C1CC2(CC(C)C2)C1 2272135457 AWYUAWHKVTUNKZ-QQQDYKAYSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC([C@@](C)(O)C#CC2CCCCC2)CC1 2274071031 JGRHZCHUNRABNM-SFHVURJKSA-N 262.437 4.538 30 10 CJEE CCC[C@H]1CC[C@H]([C@@H](N)C#CC2CCCCC2)CC1 2274073411 MQFPBMHFBRRDFG-SZMVWBNQSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@H](C)[C@H]1C 2276761957 OVUOOBYUYREHGZ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@@H]1CC)OCCN 2277342262 PPCAIOYUVWPDEP-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC1(OCCN)CCC(C)CC1 2277363033 VNNVHABWIPVRRN-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCC#CC[C@H](C[C@@H]1CCCCC12CC2)NCCC 2279578927 KZYOSBGGRSOHPA-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE CC1CC(CS)(CN(C)CC[C@H]2CCCCC23CC3)C1 2280050153 JELHDZZEUMKOKV-AQFXKWCLSA-N 295.536 4.625 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@@H]1CCC1(C)C 2280926305 OBAJKGLVDRSLOK-JKSUJKDBSA-N 282.468 4.883 30 10 CJEE CC(C)[C@@H]1CCC[C@@](N)(CC=CC#CC(C)(C)C)CC1 2284098128 DKWXPOFZBGCMBD-MJGOQNOKSA-N 275.480 4.916 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCCC[C@H]1C 2284101961 ZJLCNPBATGFNGZ-FGTMMUONSA-N 275.480 4.787 30 10 CJEE CCCCCCCC[C@H](C)NCc1c[nH]nc1C1CC1 2284762636 VUOJTUXADRWDRG-AWEZNQCLSA-N 277.456 4.516 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(C)cc(OC)cc1C 2286463706 YZBZBRYUUBOYRV-QGZVFWFLSA-N 275.436 4.709 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)cc(OC)cc1C 2286516963 CIICJWFAZDRSBV-ACJLOTCBSA-N 275.436 4.565 30 10 CJEE C=CCCCCCCCSCc1cc[nH]c(=NCC)c1 2287183855 HQWZIDQAGIHXSC-UHFFFAOYSA-N 292.492 4.695 30 10 CJEE C=CCCCCCCCS[C@@H]1[C@H](NC)C[C@H]2[C@@H]1C2(C)C 2287192931 NUSLIKYFBFZFRE-VVLHAWIVSA-N 295.536 4.879 30 10 CJEE C=C(C)CCCCC(=O)c1cc(Cl)c(OC)c(OC)c1 2287369184 FVAAGQUKHZYAPG-UHFFFAOYSA-N 296.794 4.676 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCCCC[C@H]1C(C)C 2287471319 ZWUQXBSDTPRBKK-WMZOPIPTSA-N 280.452 4.659 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@@]12CCCC[C@@H]1CC2 2289044649 KBHASOAKPWWIND-AEFFLSMTSA-N 276.468 4.609 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(C)C(C)(C)C1(C)C 2289692443 HXKHKIIIJBZQEQ-INIZCTEOSA-N 275.480 4.621 30 10 CJEE CN[C@H](CC#CC1CCCC1)[C@@]12CCCC[C@H]1CCC2 2289866596 JPSWZAZXPJGWCU-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CCN[C@@H]1[C@@H](CC#C[Si](C)(C)C)C(C)(C)CCC1(C)C 2290345769 OYNXMOGJBHYEDI-HZPDHXFCSA-N 293.571 4.698 30 10 CJEE C=CCCCCCCCC1(OCC(=O)O)CC(CC)C1 2291814990 VLQKTELLELBOSR-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](OCCN)C1(C)CCCCCC1 2292897438 WZKNDSSIORIHRB-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCC[C@@H](C(C)C)CC1 2294058790 HFIILTYNSICDSG-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@](C)(OCCN)[C@H](C)CC(C)C)CC1 2294117743 UBDJZMMRRDSMSY-SJLPKXTDSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccnn1C(C)C 2295590558 VPVPHISGPAQESH-KRWDZBQOSA-N 280.456 4.812 30 10 CJEE C=CC=CCC[C@@H](N)[C@@](C)(O)CCCCCCCCC 2295677811 VPGRHSWKCSMOBV-MSOLQXFVSA-N 281.484 4.728 30 10 CJEE O=C(C=Cc1cnc(C2CCCC2)s1)c1ccsc1 2301069920 MLVFQLZXOIGWSV-UHFFFAOYSA-N 289.425 4.758 30 10 CJEE C=C(C(=O)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2302213868 XZYLEOIKUXLURN-UHFFFAOYSA-N 275.150 4.918 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2306215407 UMPRERPUNUHOPA-CYBMUJFWSA-N 276.182 4.749 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CC[C@H]1SC 2307853523 QBRJVAONVAMBPI-HUUCEWRRSA-N 257.487 4.563 30 10 CJEE Cc1cc(OC[C@H](CS)CC(C)C)ccc1Cl 2308053514 LQCHFEZMJMSSIH-GFCCVEGCSA-N 272.841 4.619 30 10 CJEE C=CC[C@@H](C)Sc1cccc(SCC)c1C(=O)O 2313525189 UAPQTGKCJXLTBW-SNVBAGLBSA-N 282.430 4.554 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1c(F)ccc(C)c1Cl 2313993984 ONMCOISVVWDJEW-MFKMUULPSA-N 269.791 4.650 30 10 CJEE O=C1C(=Cc2ccccc2Cl)Oc2ccc(Cl)cc21 2314519270 HCOMSYLYEXUNRQ-UHFFFAOYSA-N 291.133 4.610 30 10 CJEE C=CCC[C@@H](C)[C@@H](CCCCC1CC1)NCCC 2318877914 TWBALANZWOIWLR-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CCCCC[C@H]1C[C@@H]1C)NCC 2321128528 UFUIKPWPCDOAFW-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)C1CC(C(C)C)C1 2321130944 MXRLNHCPLZLSMJ-SJJHQCBESA-N 251.458 4.639 30 10 CJEE C[C@H]1C[C@](C#N)(CCC2(C(F)(F)F)CC2)CCS1 2321547951 RXJAZICRKUTNQL-QWRGUYRKSA-N 277.355 4.535 30 10 CJEE C[C@H](OCC1(CS)CC(C)(C)C1)c1ccccc1 2321709756 GZLRLDAPKJMZSM-ZDUSSCGKSA-N 264.434 4.500 30 10 CJEE CCCCC#CC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2325186829 QVFNBUOZLOKNSW-CQSZACIVSA-N 288.193 4.716 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1C[C@@H]2CC[C@H]1O2 2329961233 ZPDLVPYYJANKSR-BHYGNILZSA-N 266.425 4.654 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2332409974 LBLOQEONFWUWMG-FLXSYLCISA-N 263.469 4.713 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@@H](NCC)c1ccc(F)cc1 2335188038 NNTQSGUINOPEIA-WOSRLPQWSA-N 281.440 4.563 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cccc(C2CCC2)c1 2336325189 BKMXCDGTBOKMNY-CYBMUJFWSA-N 257.377 4.661 30 10 CJEE C=CC1(C[C@H](NCCC)[C@](C)(CC)C(F)F)CCC1 2336605205 INMHKZCDPKOQRI-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2338734392 YZCCFHSVXRWZTJ-SPUZQDLCSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](C)C1CCCCC1 2338747919 VESXLRIDEXQPJI-QAPCUYQASA-N 263.469 4.949 30 10 CJEE Cc1c(F)ccc(C(=O)C=Cc2ccccc2)c1Cl 2338768255 OQPUWTLVLMLLPG-UHFFFAOYSA-N 274.722 4.684 30 10 CJEE COc1c(Cl)cc(C[C@]2(C#N)CC=CCC2)cc1Cl 2339973390 PUDGEZZQXANURL-HNNXBMFYSA-N 296.197 4.795 30 10 CJEE CCCCCCCCCCO[C@H](C)CCCC(=O)O 2340499571 QDEZCAIAYQVMDK-OAHLLOKOSA-N 272.429 4.787 30 10 CJEE C[C@H]1C[C@@H]1CCCCN(C)CC1(CS)CCCCC1 2342930111 KLHYWQRJRHKDGT-HOTGVXAUSA-N 283.525 4.625 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2343215485 MJPIGLIBHIWDQM-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(CC(C)C)cc1 2344339126 GJUNSUMCAOOOJV-KRWDZBQOSA-N 259.437 4.748 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1cccc(Cl)c1)NCC 2344348706 MXNSKRXPYRKZST-IRXDYDNUSA-N 279.855 4.853 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(F)cc(C(F)F)c1 2344475790 IMCHWHVZMOPGBF-DZGCQCFKSA-N 272.310 4.789 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C12CC(CC(C)C)(C1)C2 2344837860 OWGHRBJUAPBTCF-KNXWPPODSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)S[C@](CC)(CC1CCCCC1)C(=O)O 2352222765 NWOZZKRUMIICQV-CZUORRHYSA-N 284.465 4.888 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@H]1C(C)(C)C 2357844995 SOOYMARHUDGYGE-INMHGKMJSA-N 282.468 4.739 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@]12CCC[C@H]1OCC2 2358322232 MZMCNOYBZSVDMM-KZNAEPCWSA-N 279.468 4.580 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(F)cc1)[C@@H](N)CC 2360198193 FABKICRCAKHWLR-IRXDYDNUSA-N 293.451 4.858 30 10 CJEE CC1CCC(CSCCC[C@](C)(C#N)NC(C)C)CC1 2360509662 YQZRZABHUUJUDL-OFLPRAFFSA-N 296.524 4.606 30 10 CJEE Clc1cccc(N/N=C/c2cccc3ccccc23)c1 6675073 FYNDCENISCHQHR-XDHOZWIPSA-N 280.758 4.939 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(F)c1C#N 36138595 MAYFKQNUUKZUEG-BBRMVZONSA-N 274.383 4.714 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154468 BKUSSSRRUUQCPS-IIAWOOMASA-N 259.418 4.806 30 10 CJEE N#Cc1cccc(N[C@@H](CC(F)(F)F)c2ccccc2)c1 37203301 GBMHRLDNGLVSKF-HNNXBMFYSA-N 290.288 4.664 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1 37344460 OKGHVIVFLUCSGX-DOMZBBRYSA-N 277.795 4.733 30 10 CJEE C#Cc1cccc(NCc2cc(Cl)cc(Cl)c2)c1 37423266 NOXYVHBDSBNSDA-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE CCC(CC)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 50039075 YXWQAQWCBPOSCA-NSHDSACASA-N 284.186 4.606 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)C[C@@H](C)O2 59191593 YNNUILLJQRHYMB-CYBMUJFWSA-N 260.377 4.553 30 10 CJEE CCCCCCCOc1cc(OCCC)ccc1C=O 59272056 HDELWXDCDADDEV-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCCNc1cc(C(=O)OC)ccc1Cl 59451560 MZNRJPHARSSGEN-UHFFFAOYSA-N 283.799 4.509 30 10 CJEE C=CCc1cc(-c2ccccc2)cc(C=O)c1OCCC 66117713 OTYGKYNOYPAKLL-UHFFFAOYSA-N 280.367 4.683 30 10 CJEE Cc1cc(C)cc(Oc2cccc(Cl)c2C#N)c1 70139504 ZYVDDVAQGHBWNG-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc(F)cc1F 86580155 VSKBISPDYUNGBY-OAHLLOKOSA-N 291.341 4.502 30 10 CJEE COc1ccc(CSc2cccc(Cl)c2)cc1C#N 87833742 OZEDNHUCEYCDNE-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCC(C)(C)N(C)CCCCCCCCCS 97799129 USDJANAPKBVLCA-UHFFFAOYSA-N 259.503 4.767 30 10 CJEE CC(C)C1=CC[C@H](C)/C(=C\c2ccc(Cl)cc2)C1=O 100313422 YIEGUGCWMTVPJI-SEJMYLSOSA-N 274.791 4.915 30 10 CJEE CCCCCCCCCCNCc1cccs1 103466109 IHIXDBFLXZHLQX-UHFFFAOYSA-N 253.455 4.978 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CNC(C)C)C1 109687937 LDARJNJCAMXZQM-LJQANCHMSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCO1)NCCC 109724168 CRDGNJSJKBRNIL-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(F)c(C#N)c1 109947719 XKNBJWPXQLKGET-GDBMZVCRSA-N 274.383 4.714 30 10 CJEE CCCCCCCO[C@H](c1ccc(Cl)cc1)[C@@H](C)N 109987466 DGXNBWHBKHICDU-CJNGLKHVSA-N 283.843 4.715 30 10 CJEE CCCCCCC[C@H](CNC)Cc1ccccc1C 110191109 XVVLKFUTYPDNHG-KRWDZBQOSA-N 261.453 4.734 30 10 CJEE CC(C)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 110252464 BGNBKSJDYLGAKK-UHFFFAOYSA-N 284.790 4.627 30 10 CJEE CCCCCCCCCCN1CCc2ccc(N)cc21 110368974 KWHNHTTWUFPCAP-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(c1)CCC2 115062585 KZZKRUPWEMLTIS-GOSISDBHSA-N 259.437 4.926 30 10 CJEE CCCCCCCCCn1ccc([C@H](O)CC)c1 118241801 ZIJBTBHREKNDOV-MRXNPFEDSA-N 251.414 4.682 30 10 CJEE CCCCCCCCC[C@H](NN)c1sccc1CC 122200892 SUUYDAFYTNVVSQ-HNNXBMFYSA-N 282.497 4.956 30 10 CJEE CC#CCC[C@H](C[C@H](C)CC(C)(C)C)NCCC 124768413 DDPMOKIDTYTQFO-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@H](Cc1cccc(C)c1)NN 125856163 PLJHRSAOOHUHEE-LJQANCHMSA-N 290.495 4.900 30 10 CJEE CCCCCCCCCCNc1cc(OCCC)ncn1 129423654 BWVBMQRGNWTVRQ-UHFFFAOYSA-N 293.455 4.818 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1csnn1 139423194 MNIKCXUMSQFPQZ-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 149830744 RETVPEVDTPKLIW-CYBMUJFWSA-N 296.336 4.958 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCCCCCC2)cc1C 156809356 QIBZNQMNALNLMK-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE N#Cc1cc(NCc2cc(Cl)ccc2F)ccc1Cl 160707392 JBTVREIXSFEMPF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCC[C@H](O)C1(OC)CCC(C)(C)CC1 162757578 IGFLESCQVPZRPT-HNNXBMFYSA-N 270.457 4.693 30 10 CJEE C=C(C)CC[C@H](O)C1(c2ccccc2)CCCCC1 164487236 FXBDVZSPWQTALG-KRWDZBQOSA-N 258.405 4.606 30 10 CJEE CCCCCCC[C@@]1(CNC(C)C)CCO[C@@H]1C1CC1 166292598 SIPWRWUJNIRFIG-MSOLQXFVSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@H](CN)C1 167770213 CFEIUACOUXEUCQ-RBUKOAKNSA-N 296.543 4.824 30 10 CJEE C=C1C[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 201125801 TUJQVRFWMWRMIO-DWIKVQACSA-N 288.475 4.948 30 10 CJEE endogenous,in-man CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccn2)C1 222252518 YPXQKXDBBDRWNB-KFWWJZLASA-N 288.460 4.918 30 10 CJEE C=C(C)C[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229740479 HMNMIRQBWLCSJX-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 232513544 CLCBXUHAXMEYPO-MPGHIAIKSA-N 276.468 4.511 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(Cl)c(F)c1 233159158 DPXJBRYJCWMLAO-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 252746044 BCVFNQWPWCOXOY-OTWHNJEPSA-N 277.496 4.724 30 10 CJEE N#C[C@]1(CCc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 308488416 ASZQQTUJNJNQSS-DZKIICNBSA-N 259.780 4.603 30 10 CJEE C=CCCCCCCN[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 312068112 LZMCNJDDZWOQNW-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CCCNC[C@@H]1CCC(C)(C)C[C@@H]1CC#CC(C)(C)C 312218457 YRJLWRGHKKUDBF-IRXDYDNUSA-N 277.496 4.868 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ccc(C(C)(C)C)cn2)C1 312229662 DHSILXAOPOCITD-KDOFPFPSSA-N 270.420 4.741 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(C)cc1)C1CCCC1 313411290 PSANAWAJMOWSCB-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCCC1CCC(C=O)([C@H]2CCOC3(CCC3)C2)CC1 316638675 AREVJKWELBQTTA-CGZBRXJRSA-N 278.436 4.511 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2 317377378 KRULEYJNYAJRKX-OKZBNKHCSA-N 263.469 4.927 30 10 CJEE CC1CCC(CC2(C=O)CCC(C)(C)CC2)CC1 317869523 KQYGLTBYZYQIBD-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCC1CCC(C=O)(CCc2ccccc2)CC1 317944037 XUDIRGCHFVDUHM-UHFFFAOYSA-N 258.405 4.795 30 10 CJEE C=CCCCCC[C@]1(CNCCOC)CC[C@@H](CC)C1 318361750 ZFSQKYQCTWGNFY-MSOLQXFVSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCNc1ccc([N+](=O)[O-])c2cccnc12 319996702 HGINIDIFFNSDDD-UHFFFAOYSA-N 299.374 4.691 30 10 CJEE CCCC1CCC(C#N)([C@@H]2C[C@H](OCC)C2(C)C)CC1 378733363 XZBMOCVJKKSJEX-NDUQDZPOSA-N 277.452 4.938 30 10 CJEE CCCCCCCCC(=O)c1coc(Br)c1 378946186 MAVUSTUWJFCZBR-UHFFFAOYSA-N 287.197 4.975 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1CCCCO1 379218092 IHMCGNRUSUTASC-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)cc1Cl 393802981 NDWBAENFGUGPCX-ZYHUDNBSSA-N 272.219 4.999 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]2CC(C)C)C1 396871070 OGIZFVDHOSLJNK-ZJPYXAASSA-N 276.468 4.605 30 10 CJEE C=CCCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O 398213824 KUNFLZPSYMEWJL-GUYCJALGSA-N 275.436 4.720 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C[C@H](C)C(C)(C)C)C1 399682472 KALISJRYNQNLJU-HZMVEIRTSA-N 278.484 4.709 30 10 CJEE CCCCCCCCCC[C@H](N)CCCSC 401498642 MRCHYDAQSCUINL-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(F)cc1Cl 686680696 CSTVZOXFTSUMNL-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE N#Cc1ccc(Nc2cccc(C3CCC3)c2)cc1F 690290930 XSHJOIOSDZDYSN-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE CC[C@H]1CCCCC[C@]1(O)[C@@]1(C#N)CCC[C@@H](CC)C1 691104026 NIVVNEBASOZRCI-VSZNYVQBSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](OC)C1CCC1 692713238 MVOQLBILBVIMME-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CCCCCCOc1cccc(F)c1Br 694735261 ZWNXYLUKCDIBJJ-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE CCCCCCCCC[C@@](O)(CC)C(F)(F)F 702939969 JUCNPLBGPYYTIQ-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H](C)C(F)(F)F)NN 705547953 DZDQJTXBEKXWKJ-KBPBESRZSA-N 296.421 4.938 30 10 CJEE C[C@H](COc1ccc(C#N)c(Cl)c1)CC(C)(C)C 709236318 PKQAZVHDQDJPIF-NSHDSACASA-N 265.784 4.663 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc(Cl)cc(Cl)c1 710567491 MUELOVGXUFYZDM-LBPRGKRZSA-N 278.610 4.787 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714493109 UFQFTDKJJZZLQL-YESZJQIVSA-N 260.421 4.746 30 10 CJEE C=C1CCC(C[C@@H](O)c2sccc2Cl)CC1 724541680 BKFHJZVBSVLRJS-GFCCVEGCSA-N 256.798 4.571 30 10 CJEE Cc1sc2cc(CC#N)ccc2c1SC(F)(F)F 725314149 BKFIJAVHZQSVIX-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE CSc1cccc2c(CC#N)c(C(F)(F)F)sc12 725316286 OKUNFMMIEUSADX-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCOc1ccccc1CNc1ccc2occc2c1 864017566 RBOMAOUDXQWVFV-UHFFFAOYSA-N 279.339 4.610 30 10 CJEE C=CCCC[C@H](NCc1nccn1C(C)C)c1ccccc1 880388554 LXSGARWFVTXZPU-SFHVURJKSA-N 297.446 4.651 30 10 CJEE C=CC[C@@H](C(=O)NCC(C)(C)CC(C)C)c1ccccc1 1126780469 WSPNWTYAOUQRCA-QGZVFWFLSA-N 287.447 4.535 30 10 CJEE C=CCCC1(CNCc2ccc3c(c2)C[C@H](C)O3)CCCC1 1179142419 HXLGXNWXGKWXPS-INIZCTEOSA-N 299.458 4.626 30 10 CJEE C=CCC[C@@H]1CCCN1CC/C=C/c1ccccc1 1198414428 RKOPZBZDNHDHEH-VWGXWWAPSA-N 255.405 4.521 30 10 CJEE C#CCC1(C(=O)Nc2cccc(C(C)C)c2)CCCCC1 1348466357 NTQQZJDFCGIVTQ-UHFFFAOYSA-N 283.415 4.722 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)c2ccccc2)CCCCC1 1350636251 YGTQGYNKJOFHHL-INIZCTEOSA-N 285.431 4.733 30 10 CJEE CCCCCCCCCCN1C[C@H]2CSC[C@@H](C2)C1 1460899491 LIUGSHIQWLTQKY-IRXDYDNUSA-N 283.525 4.812 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(C)cc2)CCCC1(C)C 1473432137 JLTLBWLCNKHSJW-SFHVURJKSA-N 271.448 4.604 30 10 CJEE C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 1521623890 NEOCZCBWJVIHLY-WSTZPKSXSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N(C(C)C)[C@@H](C)c1ccsc1 1525801032 QZKSQUAXHCDPGS-ZDUSSCGKSA-N 279.449 4.648 30 10 CJEE C=CCC(C)(C)CNC(=O)c1cc2cc(C)ccc2s1 1527069203 QBQDKVLRHHIWRB-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=CCC1(NC(=O)CCCc2ccc(C)cc2)CCCCC1 1532897299 UDQPNAGUGKHRCB-UHFFFAOYSA-N 299.458 4.713 30 10 CJEE C#CCCCCCCN(C)[C@H](c1ccccc1)C(C)C 1559535489 RRHWHJWGQKDWFY-IBGZPJMESA-N 271.448 4.899 30 10 CJEE C=CCCCCN(C)CC(C)(C)c1ccc(C)cc1 1559567062 UUHITGOLTFDXFK-UHFFFAOYSA-N 259.437 4.561 30 10 CJEE C=CCC1(C(=O)NCc2cscc2Cl)CCCCC1 1584461959 UTAFVGRPDUNMLE-UHFFFAOYSA-N 297.851 4.544 30 10 CJEE C=CCCC[C@H](C)Nc1nc2c(C)cccc2s1 1612183991 JNCOZDJKEWVCMT-LBPRGKRZSA-N 260.406 4.761 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 1621287887 PBJNDPIFKBRBHE-HIFRSBDPSA-N 292.854 4.558 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(OC)c(C(C)(C)C)c1 1621294446 FNAIQYDHSSCKFJ-MRXNPFEDSA-N 287.447 4.533 30 10 CJEE C#C[C@@H](NC[C@H](C)C1CCCCC1)c1ccc(Cl)cc1 1621368651 PKSZDEXVOTUDLL-KBXCAEBGSA-N 289.850 4.820 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cccs1)c1ccccc1 1625197290 QQILONNSSZLGLK-OAHLLOKOSA-N 285.412 4.576 30 10 CJEE C=CCN(CC1CCC(C(C)(C)C)CC1)C(C)C 1653232080 DUGWQQNMCAMPGS-UHFFFAOYSA-N 251.458 4.735 30 10 CJEE CCCCCCCCCNCc1cccc(C)c1F 1656669041 KLSMVYSKDLPGSC-UHFFFAOYSA-N 265.416 4.974 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC[C@@H]2C[C@H]2Cc2ccccc2)C1 1657082068 LWNVTLXKPKYNEN-MTFMMBMASA-N 283.459 4.590 30 10 CJEE C=C(C)c1cccc(NCc2c(C)cc(C#N)cc2C)c1 1657093478 FDZTXNXGHSZWPH-UHFFFAOYSA-N 276.383 4.820 30 10 CJEE C=CCCCCCCNC[C@H]1CCCC(C)(C)C1 1657940551 YHBJSKNBYBAVJW-INIZCTEOSA-N 251.458 4.929 30 10 CJEE C=CC(C)(C)CCNCc1cccc2c(OC)cccc12 1662941594 YTLWQXCUUFOHIJ-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)CCCCC 1664987232 JAGPSBIOXJGDSE-AEFFLSMTSA-N 259.437 4.732 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@@H](C)CC(C)(C)C 1681410074 NCAFWVAHMQGYQX-MRXNPFEDSA-N 296.499 4.837 30 10 CJEE C=CCN(CC=C)c1nc2c(Cl)cc(Cl)cc2s1 1859808820 MJGGHYDLGOJNIS-UHFFFAOYSA-N 299.226 4.782 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H](C)C1CCCCC1 1879644839 RBOJRAAFAMAHBB-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE C=CCCN(Cc1ccccc1)C1C[C@H](C)C[C@@H](C)C1 1882664481 UJZYMFOJSPIRRM-IAGOWNOFSA-N 271.448 4.889 30 10 CJEE CC#CCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1885367442 IHQLNWUWOKSDJJ-YESZJQIVSA-N 260.421 4.746 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(-c2ccc(F)cc2)s1 1886379619 DQLFXAZUFZMUCY-AWEZNQCLSA-N 276.376 4.944 30 10 CJEE N#CCCCCCSCc1ccc(Br)cc1 1902055120 XTOVJLVXSUQKAG-UHFFFAOYSA-N 298.249 4.766 30 10 CJEE C=C([C@@H](NCCC)c1cc(F)ccc1C)[Si](C)(C)C 1922962730 MFOOYBNAUIQLRH-MRXNPFEDSA-N 279.475 4.608 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1C[C@H]2CCC[C@H](C1)C2 1923467245 OJBDMSKOKCGEHW-LISAXSMJSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCCN1c1nc(Cl)c(Cl)cc1Cl 1925170294 VTYQUVFYSSWHAD-MRVPVSSYSA-N 291.609 4.587 30 10 CJEE N#C[C@H]1CCC[C@@H]1N(Cc1ccccc1)C1CCCCC1 1932018480 CFQOIBKHFPFFMS-MJGOQNOKSA-N 282.431 4.514 30 10 CJEE CC[C@@](C)(C=O)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1932023895 GHRCJRRRTACAMT-VQIMIIECSA-N 289.463 4.538 30 10 CJEE CCCCCCCCN[C@@H]1CCSC(C)(C)C1 1940329425 XROZWDYFVQCYPV-CQSZACIVSA-N 257.487 4.611 30 10 CJEE CC(C)(C#N)CCCCSCc1ccc(Cl)o1 1941855302 XUTSEQOROOPPTR-UHFFFAOYSA-N 271.813 4.886 30 10 CJEE Cc1cc(C)c(C(=O)C=Cc2ccco2)c(C)c1Cl 1951312146 XLJJGTVJFUXRAL-UHFFFAOYSA-N 274.747 4.754 30 10 CJEE CCCCCCCN1CCC[C@@H](c2nc(C)c(C)s2)C1 1964129588 IRHVIMOYQLJRRI-MRXNPFEDSA-N 294.508 4.910 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 1964152022 IWZAFFHXYBGKHH-RYUDHWBXSA-N 269.791 4.875 30 10 CJEE C=CCCCC[C@H](N)c1cc(Br)c(C)s1 1975339014 JIFXZQIVGPGADN-NSHDSACASA-N 288.254 4.565 30 10 CJEE C=C1C[C@H]1C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1976082845 IQKWLOKQAUFHDH-OIBJUYFYSA-N 277.578 4.646 30 10 CJEE CCC[C@@](C)(C#N)Cc1cccc(Br)c1C 1978647101 GPKMVFDLMNZCQK-CQSZACIVSA-N 280.209 4.630 30 10 CJEE SC[C@H](CSc1cccc(Cl)c1)CC1CC1 1980503400 HIARAUZBWZYONP-LLVKDONJSA-N 272.866 4.778 30 10 CJEE CCCC[C@H](CC)C[C@]1(C=O)CCS[C@@H](C)C1 1997354874 JCGYXSQIUWZJFI-KKUMJFAQSA-N 256.455 4.694 30 10 CJEE C=CC1(C[C@H](N)c2cc(Br)ccc2C)CCC1 2002638225 WBTRQSVWJLPJPJ-AWEZNQCLSA-N 294.236 4.504 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1cscc1CC 2005344260 BZZZVWFEWKEPOA-WFASDCNBSA-N 251.439 4.563 30 10 CJEE Cc1ccc(C(=O)C=C2CCCCC2)cc1Br 2007986934 POKIPSOOHLMEEQ-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CCC(=CC(=O)C[C@H]1CCC[C@@H]1C(F)(F)F)CC 2031785161 XAGBVCVHLBESQK-YPMHNXCESA-N 262.315 4.671 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]1(C)CC1(F)F 2036116756 KJJAELNBCMPQDD-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C#CCCCCC[C@](C)(N)c1cccc(Cl)c1Cl 2037154910 MVTBYEPWKNHHPU-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE C[C@@H]1C[C@](C=O)(CC2CC(C(C)(C)C)C2)CCS1 2043033506 CLGAAIICXUGBEB-WOICTCIZSA-N 268.466 4.550 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CC1=CCC[C@@H](CC2(C)CC3(CC(F)(F)C3)C2)C1=O 2230574789 HFPFRGIHDHUOPI-LBPRGKRZSA-N 268.347 4.518 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNC(C)C)C(C)(C)C 2231007954 DXZYMFNXYBTZAR-HOTGVXAUSA-N 269.473 4.551 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@H](CC)NCC 2231015530 JLMFKLRQQYNERC-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCOc1ccsc1CN[C@H](C)CC 2231472265 QGYWAZKFMBODCZ-CQSZACIVSA-N 283.481 4.985 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233671908 QSVULUIXNATKAE-ICBNADEASA-N 275.480 4.927 30 10 CJEE CC1(C)CC[C@]1(C=O)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2233701824 WWVQUIFCYUPOKP-NQKGRLOXSA-N 284.390 4.843 30 10 CJEE C=CCCCCCCCNC[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2235523548 HBSINYIISMVCPB-OAGGEKHMSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCCC12CCC2 2235525129 XZPHOCIJKCYPAA-IRXDYDNUSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCn1ccc(CNC2CC2)c1C 2235538602 JJAHUKHIOHMILH-UHFFFAOYSA-N 274.452 4.575 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CC[C@H]1C[C@H]1CC 2236524922 INUZDXXGCSTEBP-XDNAFOTISA-N 283.500 4.642 30 10 CJEE Cc1sc([C@H](O)[C@]2(C#N)CCCCC2(C)C)c(C)c1C 2236833227 MFGRABGSLNRWQM-DOTOQJQBSA-N 291.460 4.817 30 10 CJEE CCCCCCCCCCN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 2236986100 AGGDRMGJUVISTO-FCGDIQPGSA-N 275.480 4.881 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)C1 2238159161 WLGIQECDBRVYJG-QAPCUYQASA-N 277.452 4.818 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)CC(F)(F)c1ccccc1 2240140389 JCSWZFKWTKUYPH-ZBFHGGJFSA-N 281.390 4.749 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1ccc(C2CCC2)cc1 2240349997 NHOKOEVNMRSXDP-GOSISDBHSA-N 269.432 4.654 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)[C@@H](C)CC(C)C 2240641557 BYZQBMHXHFHOMY-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)c1cc(OC)ns1 2240642356 LOAKNCHIYIBBLU-KBPBESRZSA-N 298.496 4.941 30 10 CJEE CCCCCCCC[C@@H](C)NCC1([C@@H]2CCCO2)CC1 2240666698 PAUVVLWNIKYBIM-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=C(C)CN(CC=CC#CC(C)(C)C)Cc1ccccc1 2241572739 UIKCBSCJCBZLEZ-UHFFFAOYSA-N 281.443 4.670 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(Br)c1 2250157123 SPOJYLLXAJOELE-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2CC(C)C2)C1 2256501655 ZLPOWMPVKUUFEV-MXPGSBBYSA-N 265.466 4.874 30 10 CJEE C=CCCCSc1sc(CNCCC)c(C)c1C 2259060566 OXTUDZGPHGWOLM-UHFFFAOYSA-N 283.506 4.923 30 10 CJEE Cc1cc(C#N)ccc1SCC12CCC(CC1)C2 2261285688 FACRTMPRDOYVLB-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE C=CCCCCCCCCN1CCSC2(CCC2)C1 2264478902 QBELMOZQHSTKJL-UHFFFAOYSA-N 281.509 4.875 30 10 CJEE C[C@H]1C[C@@H]1CCCCCOc1cc(Cl)cc(C#N)c1 2269399847 WFYKFIBABUXLRI-JSGCOSHPSA-N 277.795 4.807 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@@H]1C(F)F 2270083174 XXZXXFDTGXECAX-XEZPLFJOSA-N 273.411 4.638 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](N)(C#CC2CCCCC2)C1 2273981002 UOVJBKOGYNXLEK-AEFFLSMTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@](C)(CCCCC)OCC(=O)O 2275020173 RQKZWIFDRYIXHM-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCCN)C(C)C 2276148889 WPMLTFXFQWCXOL-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=C(C)C[C@@H](CCCCCCCCC)OCCCN 2276319471 HLHRUUCNAWQYGY-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCC[C@@H](C)[C@@H](CCCCCCCC)OCCN 2276393238 TZZWOCXYRHFGJK-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CC[C@](C#N)(c1ccc2ccc(Cl)cc2n1)C(C)C 2277660461 IVRMTLJOMMCJHK-MRXNPFEDSA-N 272.779 4.716 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H](CC)CCCC)c1 2277791457 KODFNCIKWQVGJU-MRXNPFEDSA-N 253.389 4.839 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2277803038 DLKQUCWUBDVTMF-CQSZACIVSA-N 283.818 4.746 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1C#N 2278248015 ZAFVWMAAKVOAOV-BBWFWOEESA-N 264.457 4.797 30 10 CJEE O=C(CC#CC1CCCCC1)[C@@H]1CC[C@H](C(F)(F)F)C1 2279668719 PZSCRABXQVEWNC-KGLIPLIRSA-N 286.337 4.508 30 10 CJEE C[C@@H]1CCC[C@H](CCn2ccc3c(C#N)cccc32)C1 2279813927 SHEQGWCDNNHAFE-HUUCEWRRSA-N 266.388 4.729 30 10 CJEE C=C(c1cc(CNC(C)C)cc(C(C)C)c1)C(F)(F)F 2280654649 RRNANONFQSQAQT-UHFFFAOYSA-N 285.353 4.884 30 10 CJEE CC(C)(C)C#CC=CCC(=O)Cc1ccc(F)cc1Cl 2284071631 VILXTTRCNUHVIB-UHFFFAOYSA-N 292.781 4.587 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC)c2c1CCC2 2284529725 GCCHJERZAUTYAX-KRWDZBQOSA-N 275.436 4.544 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C)c2ccccc2[C@H]1NCC 2287076093 GSRWDIUQAPCNFB-BMGDILEWSA-N 289.488 4.912 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccccc1OC(C)C 2287385459 XYCDHWIDKZPUAN-KRWDZBQOSA-N 275.436 4.871 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1ccc(F)cc1C(F)(F)F 2288685183 ZOZPFDUXIALXRY-MNOVXSKESA-N 289.316 4.707 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C(C)(C)CC(F)(F)F 2289679539 YMWPYHBYRYTPID-CQSZACIVSA-N 289.385 4.527 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(F)c(Cl)c1 2289851161 CMNYASJXVRYCAH-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CC(C)CN(CC#CC1CCCC1)C1CCCCCC1 2289863810 CWQKXTFXSXNYLB-UHFFFAOYSA-N 275.480 4.861 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1CCC(C)CC1 2289871586 YILOKOJBIQCVEH-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@H](C)C1CCCCC1 2289875549 RBAQFTPMMNBWHR-APWZRJJASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](CC1CCCC1)OCC(=O)O 2290602652 DLDAWVNLZMQOEL-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C1CC=CC1 2292648108 VBNXHKBFVCVYNL-GOSISDBHSA-N 279.468 4.603 30 10 CJEE CCCCCC#CC[C@H](CCCCCC)OCCCN 2292842023 BGZFPHDRVYNDGP-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@@](C)(Cc1ccsc1)OCCN 2293406292 YKMGOYSDACTBII-KRWDZBQOSA-N 297.508 4.775 30 10 CJEE CCCCCCCC[C@@H](CC1(CF)CCC1)OCCN 2293459990 OLWMIHVOWMNHMY-INIZCTEOSA-N 287.463 4.611 30 10 CJEE C=C1CCC(C[C@H](OCCCN)[C@H](CC)C(C)C)CC1 2294119327 FRPFUQWCULKVPK-MSOLQXFVSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@H](C)NCC12CCC(CC1)O2 2295668127 FABSATFVLIFJIX-WWDZGPRUSA-N 281.484 4.817 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H](OC)C1 2295685980 CMTAYIFUXAMVMA-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE O=C(C1=CCCCC1)c1cc(F)c(Cl)c(Cl)c1 2307392170 TWUBVZMHEWTGQZ-UHFFFAOYSA-N 273.134 4.816 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@@H]1N 2313525004 ROWKDPNLHHOJIC-VNQPRFMTSA-N 267.482 4.537 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CCC1(F)F)NC 2313735614 CHYKJOJJBWANKQ-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)CC=CCC2)c1Cl 2317100618 ZALHLBUEUPWCLW-OAHLLOKOSA-N 263.743 4.580 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CCCC(C)(C)C1)NC 2321107318 FTXQLZLKNVXYRX-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H](CC)CC(F)(F)F 2321116817 LKLXNXRYUJSDOX-AGIUHOORSA-N 265.363 4.675 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC1(C)CC1)NCCC 2321130753 LONMSIBXJOEZJE-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCCCCC)NN 2321148092 MRRNDXPLVFDVJB-HOTGVXAUSA-N 254.462 4.561 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(C)ccc(Cl)c1F 2321180347 RGGOATOUYUQDOC-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2329632350 MMXWQBWCMMTIET-XJFOESAGSA-N 277.374 4.545 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@H]2C[C@@H]3CC[C@H]2C3)C1 2334354213 PRAIVVWQUKLTKW-PMPSAXMXSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)Nc1cccc(O[C@H](C)CC)c1 2338727611 MJXAUZMAMLDEEG-CQSZACIVSA-N 259.393 4.797 30 10 CJEE Cc1c(C[C@]2(C#N)C[C@@H](C)O[C@H]2C)ccc(Cl)c1Cl 2338855329 ZRMSBAPMGAADSM-VPJDZLOFSA-N 298.213 4.552 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2ncoc2c1 2340390070 GTLWJZKDEGVRRW-ZDUSSCGKSA-N 260.381 4.989 30 10 CJEE C=CCCC[C@@H](N)[C@@H](c1ccccc1)C1CCCC1 2342370695 OJVDGWWLNCLNPQ-MSOLQXFVSA-N 257.421 4.644 30 10 CJEE C=C1CCC(CN(C)C[C@@H]2CC[C@H]2C(C)(C)C)CC1 2343202919 WSHALCYNHFNJCE-DLBZAZTESA-N 263.469 4.737 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@H]2CC[C@@H]2C(C)(C)C)C1 2343356005 QCQKLRBOAYMCJY-ZACQAIPSSA-N 263.469 4.737 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(F)c(F)c1C 2344356169 LDTOZNNCFCGGHA-MEDUHNTESA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)ccc1OC 2344375053 ARTJDYGGRVMEDO-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@@H]1C)NCC 2357154813 KCAYSOOCOAVGHF-XLAORIBOSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CC[C@@H]2C[C@@H]2C1 2360076752 GNMBITUXSXNZKO-XDNAFOTISA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(CC)cc1 2360336602 LMBKNOJNNKVDRO-SFHVURJKSA-N 289.488 4.764 30 10 CJEE Cc1ccc(N/C=C/C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)cc1 4235364 QQWKZFTXPAXXIF-DZNCOFOMSA-N 285.431 4.952 30 10 CJEE Cc1[nH]c2ccccc2c1/C=C1/Sc2ccccc2C1=O 33694727 DVRJXCMBNZPEOW-LICLKQGHSA-N 291.375 4.806 30 10 CJEE C[C@@H](C#N)Cc1ccc2cc(Cl)cc(C(F)(F)F)c2n1 62712257 MPXXAIKWVAFQDR-MRVPVSSYSA-N 298.695 4.609 30 10 CJEE N#C[C@H](C(=O)CCC1CCCCC1)c1ccc(F)cc1F 83882748 UIVXLXVBKASIOE-HNNXBMFYSA-N 291.341 4.502 30 10 CJEE C=C[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCCC 88504726 DSYVKKJUYABFDL-KRWDZBQOSA-N 273.464 4.698 30 10 CJEE CCCCCCCCCCCCN1CC(O)(C(C)C)C1 91383411 BDLTULLKQPKVEK-UHFFFAOYSA-N 283.500 4.610 30 10 CJEE C[C@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582628 RKBGWTFTCZGEMH-LBPRGKRZSA-N 292.831 4.952 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)c2ccccc2n1 97816686 BDYRQRSXICTLFC-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE CCCCCCCCOc1ccc([C@H](O)CC)cc1 104154543 QUFPBENQPPQQRZ-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCOc1ccc(C(C)(C)C)cc1[C@H](C)CCC#N 107601023 QMIYHOANJSLOJV-CYBMUJFWSA-N 259.393 4.790 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccccn1)NC 109724640 SXFHXYQCHVMMLZ-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc3c(c2)CCCC3)c1 110262893 MUWMEEKIILNKTN-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE CCCCCCCN1CC[C@@H](NCCC)c2ccccc21 112726273 RYAYHDDYEQYRRB-GOSISDBHSA-N 288.479 4.908 30 10 CJEE CCCCCCCCN1C[C@@H](C2CC2)NCC1(CC)CC 114349574 KBGSXGOKKUSVPE-SFHVURJKSA-N 294.527 4.590 30 10 CJEE N#C[C@@]1(Cc2cccc(F)c2Cl)CCc2ccccc2C1 123384249 WSDINGBNFDAXDW-SFHVURJKSA-N 299.776 4.720 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)C[C@H](N)C1 124681676 BISBKRSYHAQTGN-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1C#N 126220322 FADUQNZUHLJASG-HOCLYGCPSA-N 274.383 4.714 30 10 CJEE C[C@@](O)(c1cc2ccccc2s1)C1(C#N)CCCCCC1 127292946 BAHVYACVMIYCPP-QGZVFWFLSA-N 299.439 4.973 30 10 CJEE CCCc1ccc(Nc2c(F)cc(C#N)cc2F)cc1 127430029 RKCRLZGQNFHJNX-UHFFFAOYSA-N 272.298 4.533 30 10 CJEE CCCCCCCCCSc1ccc(CN)cc1 128317042 VREJEOPTAUVBJN-UHFFFAOYSA-N 265.466 4.988 30 10 CJEE CCCCCCOc1cccc(SCC)c1C#N 136709809 MYKWKJVWVOKISA-UHFFFAOYSA-N 263.406 4.629 30 10 CJEE CCCCCCCC[C@H](CC[C@H](C)OC)NCCC 140306990 TVLWLASBTIQWEY-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCNc1ccc(N)cc1Br 160768295 NUJLJODMFXHALU-UHFFFAOYSA-N 299.256 4.804 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(F)cc(Cl)c1 161088201 KNIWVCIAVZMQPN-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE N#C[C@H](C(=O)CC1CCCCCC1)c1cccc(Cl)c1 162025440 ZWLTYTSFRAOBNO-INIZCTEOSA-N 289.806 4.877 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1oc2ccccc2c1CC 162641250 VDRLTQINKKNOFK-CHWSQXEVSA-N 257.377 4.610 30 10 CJEE CCC[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccccc1 179379096 GYOMNKWETAMNRZ-BBRMVZONSA-N 284.428 4.812 30 10 CJEE Cc1ccc(CS[C@@H](C)c2cccc(C#N)c2)c(C)n1 190828622 WUIORIDIEMWLNU-AWEZNQCLSA-N 282.412 4.565 30 10 CJEE SC/C=C\COc1c(Cl)cc(Cl)cc1Cl 211613779 VUWFBUHMWSRASI-UPHRSURJSA-N 283.607 4.512 30 10 CJEE CCCCCCCCN[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 216315622 LWJSMOASKZOHCR-ILOCAZANSA-N 263.469 4.761 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 229345931 HIVWRZPSXLVURJ-WCIQWLHISA-N 283.459 4.687 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@@H](C)C2)c1C#N 230425798 UPVIUVBAIOGUFV-CHWSQXEVSA-N 274.433 4.518 30 10 CJEE C=CCCCCC[C@@H]1CCCc2ccccc2C1=O 232589286 RBCFAXAUWMVPPP-MRXNPFEDSA-N 256.389 4.958 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CSc2ccccc2O1 232922673 CDTMNQWUTWZIBR-HOCLYGCPSA-N 294.460 4.651 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)C1CCCCC1 232937865 OVEKEDMSYBVDCX-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=CCCCCC[C@H](NCC)c1ncccc1Cl 233547643 BCANKQFPLNRSJL-AWEZNQCLSA-N 266.816 4.522 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c3ccccc23)cc1 235990407 WTQQFLHTWHIYCA-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 236210101 DYOGNBOZVOOAHY-CQSZACIVSA-N 287.234 4.634 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@H]1CCC 250837516 VTHQTANUNLKWDX-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@H](C#N)c2ccc(Cl)cc2Cl)C1 252208376 XOQZCKGEOHVILA-JRPNMDOOSA-N 297.229 4.536 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252436692 QQSQRXFCIHFCBG-CEXWTWQISA-N 284.447 4.583 30 10 CJEE CC(C)c1ccc(Br)cc1[C@H](C)CC#N 260905318 RTDLOGPRDPNSFX-SNVBAGLBSA-N 266.182 4.590 30 10 CJEE N#C[C@H]1CCC[C@@H]1Sc1cc(Cl)cc(Cl)c1 304300140 AYEJPOQSMZZZCJ-PELKAZGASA-N 272.200 4.778 30 10 CJEE CCCCCCCC[C@H](NN)c1ccsc1Cl 312553481 WTGWLPMUDUVBSL-LBPRGKRZSA-N 274.861 4.657 30 10 CJEE C#C[C@H](Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1 378701839 GGPBMMUVSRDLNZ-AWEZNQCLSA-N 294.156 4.919 30 10 CJEE C=C(C)C[C@H](NCC)c1ccccc1OCc1ccccc1 381931796 SBAIUPUYCUVGDH-IBGZPJMESA-N 295.426 4.882 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cc(Cl)ccc1Cl 385097205 ZAZWAWIVTCODND-IINYFYTJSA-N 268.187 4.866 30 10 CJEE O=C(C=C1CCCCC1)c1c(Cl)ccc(F)c1F 385574855 YXQDYUGAIADLOO-UHFFFAOYSA-N 270.706 4.691 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(Cl)c(F)c1 387498073 XHMWFHRECOFBOA-ZDUSSCGKSA-N 283.818 4.602 30 10 CJEE CCCC1(C/N=C2/N[C@]3(CCC[C@@H](C)C3)CS2)CCC1 391981938 PCNCAIMXGQEDAO-PBHICJAKSA-N 294.508 4.598 30 10 CJEE CSC[C@@H](C)COCCCCCCCCCS 394960426 SEYLCSZWUIQYAP-AWEZNQCLSA-N 278.527 4.663 30 10 CJEE CCCC[C@H](CC)C/N=C1/N[C@H](C2CCCCC2)CS1 395163666 SJAXRGLEMIWVAH-HOCLYGCPSA-N 296.524 4.844 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCCC1)c1ccc(Cl)s1 397096032 BGJVQVIINORYJV-AAEUAGOBSA-N 296.867 4.772 30 10 CJEE C=CCCC[C@@H](C)NCC1CCC(C(C)C)CC1 398117963 PWUNXNOBPOAHLT-KLAILNCOSA-N 251.458 4.783 30 10 CJEE N#Cc1ccc(CSCc2cccc(C(F)F)c2)cc1 479598693 CNCIBALVTIOXGP-UHFFFAOYSA-N 289.350 4.929 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 552834998 UYHOKCIWAGPZSD-YLJYHZDGSA-N 299.458 4.559 30 10 CJEE Fc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)F 575381633 XMNKQYHQWMDEGJ-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE Cc1c(CNc2ccc(C#N)c(Cl)c2)oc2ccccc12 609670217 FQDHQNAKIMFZJB-UHFFFAOYSA-N 296.757 4.878 30 10 CJEE C=CCCC[C@@H](C)N1CCC[C@@H](c2nc3ccccc3o2)C1 678714694 JVYMTROINFVDDT-HZPDHXFCSA-N 298.430 4.752 30 10 CJEE C=CCCCCCOc1cc(F)c(Cl)cc1[N+](=O)[O-] 690570379 BRCGRSJFYQZSLF-UHFFFAOYSA-N 287.718 4.513 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(Cl)c1[N+](=O)[O-] 692250486 FRWJNDBNCFVMFR-YPMHNXCESA-N 294.782 4.795 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCOCC2CCCC2)C1 693046203 FJHOWAYWDKPPDF-NVXWUHKLSA-N 263.425 4.693 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCC12CCCCC2 694369275 LHFLFAJQZJOOMC-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE C[C@@H](CCC#N)n1ccc2c(Cl)cc(Cl)cc21 695813394 SVBFDXGYAQSGNC-VIFPVBQESA-N 267.159 4.813 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC2C[C@@H]3C[C@H]3C2)C1 698021179 HGILGNSNGZTAEZ-HUUCEWRRSA-N 262.437 4.844 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 698029291 WGCBYGDHWHFIBD-MXOPCQGISA-N 262.437 4.844 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(F)cc(F)c1 703995408 FLKLLZPQHSYUKF-GFCCVEGCSA-N 267.363 4.608 30 10 CJEE CCC[C@@H](CS)COc1cccc2sccc12 705011499 UNJXWKQBXPTIJQ-LLVKDONJSA-N 266.431 4.626 30 10 CJEE C[C@@H]1C[C@H](N(C)[C@H]2CCCCC[C@@H]2C#N)CC(C)(C)C1 708763954 MXUQFPHYQQAPTI-NCOADZHNSA-N 276.468 4.605 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1CCC[C@H](C(F)(F)F)C1 713063075 WRKWOFVERGPYMA-KBPBESRZSA-N 291.401 4.937 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC[C@H](C3CC3)O2)CC1 715437259 FHRYUGHMGUGLIN-FFDQMNFHSA-N 275.436 4.690 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H]1CCCS1 715661630 WZWIOHFOLMQIQI-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CC1(C)C[C@]1(C#N)CCc1cc(Cl)cc(Cl)c1 722122920 DZWBAAFYDITIKX-AWEZNQCLSA-N 268.187 4.866 30 10 CJEE C=C1CCC(C[C@H](N)C2C3CC4CC(C3)CC2C4)CC1 724560804 RUXAHAFOGREGHT-YXOSVLIBSA-N 273.464 4.523 30 10 CJEE C=C1CCC(C[C@H](O)c2cscc2C(F)(F)F)CC1 724578232 WSPZGLONOHWFKB-ZDUSSCGKSA-N 290.350 4.937 30 10 CJEE C=C1CCC(C[C@@H](NC)c2csc(Cl)c2)CC1 724601853 GRBZODLRAGXFCX-CYBMUJFWSA-N 269.841 4.799 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 1125365138 OOURJBIQQCLWNA-SFHVURJKSA-N 299.458 4.967 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(O[C@@H](C)CC)c2)CC1 1129371546 XSYZYKXDKSHIPY-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](CCCC)C(C)C 1131970879 WPCXTEPRPYJMAJ-OAHLLOKOSA-N 267.457 4.557 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 1141363330 RXSLVJLUQXWPIS-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 1195947218 RIJKZYUYWBWNPU-UONOGXRCSA-N 263.812 4.689 30 10 CJEE C=CCN(Cc1cccs1)C(=O)[C@H](C)CCC(C)(C)C 1264247195 NCRGOLCGNVNFEU-CQSZACIVSA-N 293.476 4.725 30 10 CJEE C=CCC1(CNC(=O)[C@H](CCCC)C(C)C)CCCC1 1272425618 GTNZDEMCKAZSSF-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1ccc(-c2ccccc2)cc1 1353775023 UWTLTHZRRCTKLU-FQEVSTJZSA-N 294.394 4.999 30 10 CJEE C=CC1(CC(=O)NCCC2CCCCC2)CCCCC1 1354625022 KRCQHIXXMVSNBY-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CCCC1CCCC1 1436135477 ONZYCKRHXAZHSQ-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCCCCCCC)c1 1456035899 OZAIPCAYRYKBEK-UHFFFAOYSA-N 285.431 4.771 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2ccc(Cl)cc2)cc1 1461340123 PCLHYMBTTQEBTC-ZDUSSCGKSA-N 271.791 4.671 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1cc(OC)c2ccccc2c1 1462635990 HEQPAUCAWNMHMP-LSDHHAIUSA-N 283.415 4.854 30 10 CJEE C=CC(C)(C)CC(=O)OCc1cccc(OC(C)(C)C)c1 1462904905 CLSCCRIAEKJHHV-UHFFFAOYSA-N 290.403 4.509 30 10 CJEE C#CCC1(NCc2ccc(CCC)s2)CCCCC1 1474279375 RUOHNFDNHZVKES-UHFFFAOYSA-N 275.461 4.516 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(OC)cc1)C1CCC1 1474736433 HIOCDFLLTKDLNK-FQEVSTJZSA-N 299.458 4.710 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C)nc2C(C)C)c1 1539558740 XYJCMYZHALUBTD-UHFFFAOYSA-N 294.398 4.799 30 10 CJEE CCC[C@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 1559212130 BRTXXPBMAVFELZ-WDEREUQCSA-N 297.855 4.687 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc2cccc(F)c2s1 1559234729 BQEDSRKOIQIOIL-YPMHNXCESA-N 290.407 4.982 30 10 CJEE C=C(CC)CN1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 1560074880 KDDUMIWQSZYJBF-KRWDZBQOSA-N 295.829 4.842 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(SCC)cc2)C1 1560570197 BEMMOVDEHVLJTK-GOEBONIOSA-N 275.461 4.633 30 10 CJEE C=CCN(CC=C)Cc1cccc(C2CCCC2)c1 1560715439 IEEWGNNGRGHKCQ-UHFFFAOYSA-N 255.405 4.518 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 1585984396 WROPVAHUAUGKSH-RBUKOAKNSA-N 291.394 4.770 30 10 CJEE C#CCCCCCCN(C)c1cccc(C(C)C)c1 1644403173 UFRAYHSTACZZLA-UHFFFAOYSA-N 257.421 4.830 30 10 CJEE C=CCCCN(C1CCC(C(C)(C)C)CC1)[C@@H](CC)CO 1647857589 WWXOUIAMQNWZDE-ADKAHSJRSA-N 295.511 4.630 30 10 CJEE C=CCCCCCN(CCc1ccccc1)C(C)C 1652357794 MTBFGSKUIYWIJB-UHFFFAOYSA-N 259.437 4.686 30 10 CJEE C=C(CC)CN[C@@H](Cc1ccccc1)c1cccs1 1653236805 JYTRVNMHARMIOB-INIZCTEOSA-N 271.429 4.588 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1ccc(OC(F)F)cc1 1654303708 BSQOXWARNXEZSK-AEGPPILISA-N 293.357 4.532 30 10 CJEE C=CCN(CCCc1ccc(F)c(F)c1)c1ccccc1 1657810303 WXXWNCCLFYNMEM-UHFFFAOYSA-N 287.353 4.590 30 10 CJEE C=CC[C@@H](C)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 1657948646 YHVGYHODYAUKHE-DNVCBOLYSA-N 271.448 4.890 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)CC12CC3CC(CC(C3)C1)C2 1659021730 HZQFSEHEEWCFQC-UXJMZZSFSA-N 275.480 4.926 30 10 CJEE C#CC[C@H]1CCCN([C@@H](C)c2cccc3ccccc23)C1 1659142331 ICWAJHBCVJNGOZ-IRXDYDNUSA-N 277.411 4.636 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](CC)c2ccc(F)cc2)C1 1659352986 XHNAKRSNMPGWLE-PBHICJAKSA-N 261.384 4.565 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(Cl)cc1C 1666300929 ZQXOMOYYCSWGHP-UHFFFAOYSA-N 294.826 4.906 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(C2CCC2)cc1 1671283561 LZUHCVOBHFOFRQ-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(C)c(C)c1Cl 1673087273 VFUVPSLFHOKDNU-UHFFFAOYSA-N 294.826 4.777 30 10 CJEE C=C1CCC(CNC(=O)N(C)CCCC(CC)CC)CC1 1685166303 OGAPGKNQGFCDDK-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE CCCC[C@H](CC)N(C)CC(C=O)(CCC)CCC 1879148945 DUDMDLMYLWLCQD-INIZCTEOSA-N 269.473 4.673 30 10 CJEE C#CC[C@H](C[C@H](NC)c1cc(Cl)cc(Cl)c1)C1CC1 1887518249 QEUDKIHDYICCIT-WBMJQRKESA-N 296.241 4.694 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(C)=O)c(Br)c1 1899387656 QABCJDBGFOQYNU-SECBINFHSA-N 299.233 4.708 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@@H](C)CCC(C)C 1919400783 AOTOUNDIIGTTJG-RDJZCZTQSA-N 270.457 4.739 30 10 CJEE C=CCOc1ccccc1[C@H](O)[C@H]1CCCC[C@@H]1CC 1920031619 VRUBENHFXSOILX-RLFYNMQTSA-N 274.404 4.501 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H](C)C1CCCC1 1924129254 CYLAXMMXMAJUKV-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CC1CC(CC(=O)[C@H](C#N)c2c(Cl)cccc2Cl)C1 1925121338 YXAHMFWGACQKJD-ILDUYXDCSA-N 296.197 4.606 30 10 CJEE Cc1cc(CC2(C#N)CCC(C)(C)CC2)cnc1Cl 1925351017 BHLWNWQOWLHUSM-UHFFFAOYSA-N 276.811 4.696 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccccc1Cl 1947379553 AEIPJYAGXRLGTA-OLZOCXBDSA-N 251.801 4.735 30 10 CJEE C=CCC[C@@H](C)N(Cc1ccccc1)[C@H](C)C1CC1 1953462072 FWPDELYHGZBNKK-HZPDHXFCSA-N 257.421 4.642 30 10 CJEE CCCC[C@@](C=O)(CC)CCCOCc1ccccc1 1954794779 JPRCPNMZZHWBMB-SFHVURJKSA-N 276.420 4.769 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1sccc1Br 1960521610 MODPYRPEZLKWMK-UWVGGRQHSA-N 288.254 4.516 30 10 CJEE CC1(C)CCC[C@H](CNc2cc(Cl)ccc2C#N)C1 1970084843 BAFPPZGOYQMREP-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE N#CC1(Cc2cc(Cl)cc(Cl)c2)CCCC1 1992080981 KEUNOMXHEVZWSU-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1csc(Br)c1 1994465354 MMRYBTNSMWGJTP-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1csc(Br)c1 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4.662 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1C1CCCCC1 2200282613 PJXWNEBWIATHNZ-ZACQAIPSSA-N 288.822 4.860 30 10 CJEE CCCCCCCCCN(C)[C@H](C)Cc1ccncc1 2203523086 GFVPFNBFYYWWNL-QGZVFWFLSA-N 276.468 4.695 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccccc1C1CCC1 2203787752 QILLQFFCTUFVCM-LJQANCHMSA-N 269.432 4.928 30 10 CJEE CCCC#CC[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2203788982 AAHGPYXTXVLHRU-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE CCCC#CC[C@H](NCCC)C12CCC(CC1)C2(C)C 2203793800 WUEWSFFIHKRFLY-HFCFLWKCSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@]1(CNCC)CCCC12CCC2 2203808399 WDQGJCDSGUKORF-IBGZPJMESA-N 275.480 4.910 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@]1(CC)CC1(F)F 2203818813 IQAMVTYFDUIWBA-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccc(C)cc1F 2203820973 ZFPKVELICNKDBX-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCCCC#CC[C@H](NC)c1ccc(C(C)(C)C)cc1 2203821107 ZRHRMARKFDPSEQ-SFHVURJKSA-N 271.448 4.828 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@](C)(O)CCCC 2206901406 BPUUBDRCANPDQG-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCC[C@H](O)c1ccc(OCC=C)cc1 2206902706 MIPHPFIRXLHOLL-SFHVURJKSA-N 274.404 4.811 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](C)(O)C1CCCC1 2207380622 ASFUYZRKNRJAEW-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)S1 2207396321 LEXXJYCIRBYMIR-IKGGRYGDSA-N 298.540 4.799 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1CC[C@H](CN)C1 2207396471 LPFCQGQLGBCBDR-IRXDYDNUSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CCO[C@@H]1CC 2207402813 FEBPECKSGBMHNS-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@@H]1CCCC[C@H]1N 2207424320 DBYKKAFAYKGLJX-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](COCC(C)C)NC 2207426410 BDGUMHFQJVISPU-GOSISDBHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CCCCC[C@H]1O 2207427793 QBIRKPJQBIFZFQ-QZTJIDSGSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)CC1(C(C)C)CCC1 2207448114 ZLBJGZXSBBPIRT-IRXDYDNUSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@@H](C)CCC(C)C 2207469697 OEINFDJHQHYGPO-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE C=C(C)CC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2211982193 GRLFBJACBOECSF-CYBMUJFWSA-N 258.192 4.524 30 10 CJEE CCCC1CCC(C=O)(CC(F)(F)C2CC2)CC1 2218538696 AMFNDIFSSNIVQR-UHFFFAOYSA-N 258.352 4.597 30 10 CJEE Cc1cc(CSCCCCC2CC2)ccc1C#N 2220021748 WJOXKZXGLXEOLC-UHFFFAOYSA-N 259.418 4.680 30 10 CJEE C=CCCCCCCCNC[C@@](C)(F)C(C)(C)F 2220085390 LPWBZKCWFUDBPY-OAHLLOKOSA-N 261.400 4.579 30 10 CJEE C=CCCCCCCC[C@H](O)c1csc(CC)n1 2220085581 CFJHYMCJMFWSBD-AWEZNQCLSA-N 267.438 4.656 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1C 2220089609 RPJRBHUVAMIOPO-ILXRZTDVSA-N 288.522 4.501 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)CC(C)(C)C(F)(F)F 2223551966 UFGMIZWNMXUFJQ-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE CCCCCCCC[C@]1(C)NC[C@@](C)(CCC)O1 2223777413 VIMNGYDZJTWGGE-HZPDHXFCSA-N 255.446 4.632 30 10 CJEE C=CCCCCCC[C@@H](N)CCc1cccc(F)c1 2224577576 XRWSRJVKXKXRNT-QGZVFWFLSA-N 263.400 4.612 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(Cl)c(F)c1 2225417315 MMCKGYNANVZKNP-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE C=CCCCCCCCCOc1cc(F)ccc1N 2225665978 KKKSLHFTKQHBBI-UHFFFAOYSA-N 265.372 4.703 30 10 CJEE C=CCCCCCCC[C@]1(O)[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 2227279800 KKCFDRPHHQSGMM-TXTZMMAHSA-N 262.437 4.700 30 10 CJEE CCCCCCCCCCNCCCCCCOC 2228764080 AWTDIRNETBCOGE-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCOCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2229792837 LIWUKZMXFRKEOS-SOUVJXGZSA-N 283.481 4.501 30 10 CJEE CCCCCCCCCCCOC[C@H]1CC[C@@H](N)C1 2231080651 UUZJHPRBEACNLK-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCC[C@@H](C)CCC(=O)C#Cc1ccc(C)cc1 2231214275 JQKXJJXXAOFXDT-OAHLLOKOSA-N 256.389 4.522 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)CC(C)(C)CC(F)(F)F 2231492247 NOQDWIOVFKWVNN-JSGCOSHPSA-N 279.390 4.936 30 10 CJEE CCc1cc(Cl)ccc1N[C@H]1CCCCC[C@@H]1C#N 2231879370 ZMDBBYUZNZPXOC-HIFRSBDPSA-N 276.811 4.787 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cccnc1OC 2231945218 DBAHFTCJTCFQSC-CQSZACIVSA-N 264.413 4.641 30 10 CJEE C#C[C@H](N[C@@H](C)CCCCCCCC)C1CCCC1 2231947445 YVIHNXCNNMRYQX-WMZOPIPTSA-N 263.469 4.907 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cccc2ccoc12 2232403968 NLMKJCQYLYDZHL-CXAGYDPISA-N 253.345 4.695 30 10 CJEE CCCCCCC[C@@H](CC1C[C@H]2CCC[C@H](C1)C2)NN 2233592936 KIEMMSNSYDCVAA-BQFCYCMXSA-N 280.500 4.785 30 10 CJEE C(CCN=C1NCC2(CCCCC2)CS1)CCC1CC1 2234187720 ZSEVIFAJJQZTLZ-UHFFFAOYSA-N 294.508 4.600 30 10 CJEE COc1cc(Oc2cccc3sccc23)ccc1C#N 2234318274 OZWAVQFZAALKDG-UHFFFAOYSA-N 281.336 4.574 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1cc(C#N)cc(Cl)n1 2234434642 SPSYNKISZDZFEB-MRXNPFEDSA-N 294.826 4.980 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](CC(C)(C)C)c1ccccc1 2234695447 WLIRGQRBWUIIJT-ZWKOTPCHSA-N 271.448 4.801 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1CCC[C@@H](C)O1 2235179691 MGIKPALAQTUUHQ-SQNIBIBYSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(CCC)CCCCN1 2235521714 LWGTUZWTCXVCCJ-SFHVURJKSA-N 279.468 4.785 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(CC)ccc1N 2235535086 MBHWXBKUNPOPHM-GOSISDBHSA-N 275.436 4.781 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cccc(C)c1F 2235540315 WAPNYDFCXXIWSG-MRXNPFEDSA-N 278.415 4.555 30 10 CJEE CCCCCCCCOCC1(CNC(C)C)CCCC1 2239371818 YCIANCJXMJPNEZ-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)CCCC(C)C 2239471350 MZJOPWVFZSCCSH-SFHVURJKSA-N 291.866 4.886 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](NCC)C1(C)C 2239487444 QKBKGVVMQKKJIT-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE N#C[C@]1(Cc2ccc(C3CC3)cc2)CCCC(F)(F)C1 2240356276 YSZBJVHMGWDFGE-INIZCTEOSA-N 275.342 4.826 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@H](COC)C1 2240638266 SAGHHHKAORBSLJ-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@H]1CCC 2240645904 ZMIYTTFJJIEFOP-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@H]12 2240657299 LFBCAZSFUGZNGO-BSDSXHPESA-N 281.484 4.673 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(F)cc(Cl)c1 2250132976 NALHZJYCWQQGHI-CQSZACIVSA-N 255.764 4.615 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C)cc(Br)c1 2250147582 KOHMBRNRYVEZIZ-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccsc1C 2250182748 DLQXLNPFMVHHJW-HNNXBMFYSA-N 251.439 4.844 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC)c1Cl 2256194619 ZGSCMWXSYAKALL-ZDUSSCGKSA-N 269.816 4.709 30 10 CJEE O=C(C=C1CCCCC1)C[C@@H]1CCC[C@@H]1C(F)F 2257787234 DRVIFPRRNHLALF-JSGCOSHPSA-N 256.336 4.518 30 10 CJEE C=CCC(C)(C)OC(=O)c1cc(Cl)c(Cl)cc1C 2258556602 ALGNNGLVARLGAP-UHFFFAOYSA-N 287.186 4.813 30 10 CJEE C=CCCCS[C@@H]1CCC(C)(C)[C@H](NCCC)C1 2258976176 OXZASXMTMWQPCW-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@@H](C)C[C@H](N)C1 2259069550 BYJYXUPEJVWTIQ-HRCADAONSA-N 269.498 4.762 30 10 CJEE C=C(C)CCCC[C@@H](O)c1csc2c1CCCC2 2259195582 VJJCCCHLFROGSV-OAHLLOKOSA-N 264.434 4.797 30 10 CJEE CCCCCCCCC(=O)C1CC2(CC(F)C2)C1 2259457908 LOLGQEQTTAQRSY-UHFFFAOYSA-N 254.389 4.834 30 10 CJEE CCCCCCC[S@@](=N)(=O)C1CC2(CC(C)C2)C1 2260474398 PSKFQWCZMCHAIZ-NRCYXERYSA-N 271.470 4.582 30 10 CJEE N[C@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2261115452 HNMBZYLOSFVZLT-CQSZACIVSA-N 282.214 4.577 30 10 CJEE C=C(CC)C[C@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2261444979 MJTAQJTZALYEQS-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1sc(C(F)(F)F)cc1C 2263309405 FOMPFRCMJCXAHD-GZMMTYOYSA-N 277.355 4.548 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1c(C)sc(C)c1C 2268433177 YPKCCVWXJPSDPA-AWEZNQCLSA-N 282.449 4.577 30 10 CJEE CCCN[C@H]1CCC[C@@H](CC=CC#CC(C)(C)C)C1 2268725763 IYHVMTQPVHTTCW-SJORKVTESA-N 261.453 4.541 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]1C1CCC1 2271786522 YRTRJKIRWUTQFW-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@@]23CCCC[C@H]2CC3)c1 2273421460 KMDIMSKTLNLDLJ-BBRMVZONSA-N 274.795 4.594 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CCC1(C)CC1 2274069187 DLAZANCQEMZAFT-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)CC#CC1CCCC1 2274133204 MXGYKLMOLUWMMM-CQSZACIVSA-N 275.823 4.526 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(CCCCC)OCCCN 2276389890 IJELJCFPSKOPEZ-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1csc(C2CC2)c1 2277830867 GENVUDKGSSQRRE-UHFFFAOYSA-N 286.783 4.513 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CCC)NCC 2278245380 VSRCCKGZPFQPJX-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCC#CC[C@@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279600349 BJYOXCZXCHDFNH-RBSFLKMASA-N 289.385 4.527 30 10 CJEE CC[C@@H](Nc1cc(C)c(C#N)c(C)c1)C1CCCCC1 2280556995 OBYOJLLQSSCISR-GOSISDBHSA-N 270.420 4.946 30 10 CJEE CC[C@H](Nc1cc(C)c(C#N)c(C)c1)c1occc1C 2280562424 QROIGUHMOHHPDY-INIZCTEOSA-N 268.360 4.640 30 10 CJEE CCCCCCCCC[C@H](NCC)C1(OC)CC(C)C1 2281093888 MLSYNPLNNAZMIK-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCCCC12CC2 2284180983 XVTXLMPPHKTQOV-DLBZAZTESA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCC[C@@]1(C)CN 2286883039 YXWYOMDSSMMAOH-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCS[C@H]1CCC[C@@](C#N)(NC)C1 2287093546 FUGOOWRQMNVOLL-DLBZAZTESA-N 294.508 4.671 30 10 CJEE N#Cc1ccc(Nc2cc(C3CC3)ccc2F)c(Cl)c1 2287318914 FUQWSXMRPSBRND-UHFFFAOYSA-N 286.737 4.972 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@@H]1O 2287399210 HGTPCFOGAGXEJT-YESZJQIVSA-N 288.447 4.785 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(C)nc1C 2287409832 ZSGLJZYAIMEBGU-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F 2287412560 DVOYEDYOHXTJGG-QMMMGPOBSA-N 293.279 4.518 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CCOC(C)(C)C1 2287465786 CEASGTMWNWNAHC-DLBZAZTESA-N 281.484 4.696 30 10 CJEE CSc1cccc(NC[C@]23CCCC[C@@H]2CC3)c1C#N 2288991955 MLWGWOBYPYMTPA-CXAGYDPISA-N 286.444 4.662 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1C[C@@H]1C(C)(C)C 2289684680 PGCBPEMUYWCZPF-OKZBNKHCSA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CC1(F)F)OCCN 2293551483 GZSDREFPDGGORP-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCC1(OCCCN)CC(CC2CC2)C1 2293651103 GGIUGFBRFSBWEZ-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCCC1(C)C 2293776026 LAEAWGNHQOGBBK-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@H](CC1=CCCC1)OCCN 2294071557 KUUODMAURNLGDW-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1coc(C)c1 2294458046 IVJOCVBNAXFUDA-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCCCC[C@@H](C)N(CCC)[C@@H]1CCNC1 2295536541 PGUKSLYRULRFDB-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnn(CCC)c1 2295599194 PKCBLWUWFVQDHF-KRWDZBQOSA-N 279.472 4.608 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CC1(C)CCC1 2295676726 NPRWJIHFRSGQGC-AEFFLSMTSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1OCCC1(C)C 2295677360 BTKLVXQRIIZFGU-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCC1(C)CC1 2295681743 JLXNWOCYQYGYII-SJLPKXTDSA-N 283.500 4.786 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(Br)c1C 2304034236 YCTWJFBQDPJVOL-LSDHHAIUSA-N 296.252 4.750 30 10 CJEE Cc1cc(Cl)cc(OC[C@H](CS)CC(C)C)c1 2308058033 UESVFSKDNAQBDS-GFCCVEGCSA-N 272.841 4.619 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Cl)cc1C[C@@H](N)CC 2313531365 IQAVWZZEKBQTAL-RISCZKNCSA-N 283.868 4.677 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC1CCCCCC1 2317017271 ZPAFBDZNJIJGHS-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCC1(O)C[C@@H](C)S[C@H](C)C1 2317684866 VIVAGUDCKXZPTJ-HUUCEWRRSA-N 270.482 4.938 30 10 CJEE C=CCCCCCCCSC[C@@H](N)CCC1CC1 2318292790 IYTKSMAFFJSHFL-INIZCTEOSA-N 269.498 4.764 30 10 CJEE C=CCCC[C@H](C[C@@H]1CCC(C)(C)C1)NCCC 2319111938 AXERRCPFEVPOEM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE SCCCCCCCOCC[C@@H]1CC[C@@H]1C1CC1 2319607516 ZPRQXYWTZZHWRB-JKSUJKDBSA-N 270.482 4.710 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CC(C)(C)[C@H]1C 2319877959 JLNNLHPZHASHFK-JKSUJKDBSA-N 251.458 4.879 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(CC)CC1)NCCC 2321103019 WCSWYVKMILYINJ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CCC[C@H](C)C1)NC 2321113769 RENXMABDKWDNMU-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC(C)(F)F)NCC 2321115620 GMLNTWIQZSKLNH-KBPBESRZSA-N 261.400 4.782 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCC1(CS)CC(C)(C)C1 2321710824 PXYMANYOGAUVJP-ZIAGYGMSSA-N 270.482 4.708 30 10 CJEE C=C(C[C@H](NCC)c1c(Cl)cc(C)cc1Cl)OC 2327879735 OBCJTBZSNVOWAG-ZDUSSCGKSA-N 288.218 4.503 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](C(C)C)CC[C@H]1NC 2335097522 YUJOETCIEYHPDU-USXIJHARSA-N 281.509 4.653 30 10 CJEE CC=CC[C@](C)(CCCCCCCC)OCCCN 2338447212 OTMFDDHAYCHDGM-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCC(CC=C)C[C@@H](NCC)c1ccc(C)cc1 2338744036 KYEJGSMURGJNQV-GOSISDBHSA-N 257.421 4.804 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccnc2C(C)C)CC1 2342157989 LMLSJJZYJWECDB-ZDUSSCGKSA-N 257.377 4.524 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccnc1C(C)C 2342159525 YNLXDKUHWIMRHL-INIZCTEOSA-N 260.425 4.602 30 10 CJEE C=C[C@@H](C)C[C@H](CCCCC(F)(F)C(F)(F)F)NC 2342336897 CXEYDTJDPWNHNW-MNOVXSKESA-N 287.316 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc2cc(Cl)ccc2o1 2344340400 RBUZGEGBDDSJEN-OAHLLOKOSA-N 277.795 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCCCCC1CC1)NN 2344378100 LBMVQKNABVNOIA-IRXDYDNUSA-N 266.473 4.561 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1c(C)cc(C)cc1C 2344461885 FXQJLEFHHUIWAO-ROUUACIJSA-N 260.421 4.508 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)C1CCC(C)(F)CC1 2352169132 PDDOSFVICPJCIY-OGVSOVDVSA-N 289.504 4.571 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359117265 XBZBGLVCKMSWOR-BSDSXHPESA-N 281.484 4.530 30 10 CJEE Cc1c2c(cc3ccccc13)-c1ccccc1[C@H]1O[C@H]21 2039851 MFBSRFKHKCKLIC-RTBURBONSA-N 258.320 4.941 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1ccc(C#N)c(Cl)c1 37393188 KZJKDGJINFOSLU-DGCLKSJQSA-N 264.800 4.838 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cc(Cl)cc(Cl)c2)cc1 37935677 KEGURPVAJFNKNA-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccc(C)cc2)cc1 57684732 ALEWREGCSHGMAU-SFHVURJKSA-N 279.383 4.770 30 10 CJEE N#Cc1ccc(Oc2cc3ccccc3cc2O)c(Cl)c1 62791488 YNHBVOZMBFDOSB-UHFFFAOYSA-N 295.725 4.863 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)CC1 86922574 WGDWITASYZMCTN-ZBFHGGJFSA-N 256.393 4.719 30 10 CJEE CCN(C[C@H](CS)C(C)C)c1cccc2ccccc12 94578515 GLTHHSMAIOAAFN-MRXNPFEDSA-N 287.472 4.868 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](CS)C(C)(C)C 94579547 KIWYQOCBRZVJED-OCCSQVGLSA-N 299.911 4.925 30 10 CJEE CCCCCCCNC[C@@H](C)Oc1cc(C)ccc1C 100027257 CUXAPLYBPLCNBZ-QGZVFWFLSA-N 277.452 4.631 30 10 CJEE CCCCCCCCCCCCOCCCn1cnnc1 100311514 DCJRNUHBEIGJID-UHFFFAOYSA-N 295.471 4.606 30 10 CJEE CCCCCCC[C@@H](N)c1nc(C(C)C)cs1 104438059 MCNQTEUVKJLKDL-GFCCVEGCSA-N 254.443 4.627 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(OC)cc1 109709523 CYMIHMTVFGZBQO-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NC 110081695 MGROHZFJMRINCC-ULQDDVLXSA-N 283.500 4.776 30 10 CJEE CCCCCCCOC1(C(=O)O)CCCCCCC1 114390953 GTCYHZWUHZNPCM-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE CCCCCCCCSc1ccc(CNC)cc1 123853901 XPLZRDURMBTYIG-UHFFFAOYSA-N 265.466 4.859 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1cc(C#N)ccc1Cl 125711309 NKCQJTDRUSVWAY-DGCLKSJQSA-N 264.800 4.838 30 10 CJEE CCCCCCCCNc1cccc(Br)n1 126929678 UUVXWNPJOXSOAH-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE CCCOc1ccc2c(ccn2CCCC(C)(C)C#N)c1 130261156 ATPNCKZVZVNKPW-UHFFFAOYSA-N 284.403 4.760 30 10 CJEE CCCCCCCCCCCCCCCCNN 142022856 JPWNSMBCNUAXMJ-UHFFFAOYSA-N 256.478 4.931 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(OC)c1F 156912020 XUDFEUWJWXWVJK-CQSZACIVSA-N 268.372 4.618 30 10 CJEE CCCCCCCCNCc1cc2cccc(OC)c2o1 159147650 KOEFEDWSAMSTBB-UHFFFAOYSA-N 289.419 4.892 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CO[C@@H](C)C1 159159285 RVIFSEITBAPSAJ-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCC(=O)c1cc(N)cc(Br)c1 159693897 JHYDZWWRLKSYEF-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)CCSC 162613979 VSXAKPQNFQPSQC-AWEZNQCLSA-N 291.570 4.576 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@@H]1NC 164008939 AAMWBYMDPLNQER-IPELMVKDSA-N 289.463 4.810 30 10 CJEE Cc1cc(C#N)ccc1N1CCC[C@@H](C(C)(C)C)CC1 203589778 SLACKISJWUNXEY-MRXNPFEDSA-N 270.420 4.519 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)c2ccc(C)c(C)c2)C1 218261493 XIXDVGIBJWSUNI-NEWSRXKRSA-N 285.431 4.621 30 10 CJEE CC[C@H]1CCC[C@](C#N)([C@@]2(O)CCC[C@@H](CC)CC2)C1 218593494 PUKYWGLBMWGAJV-VSZNYVQBSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN2CCC[C@@H]12 219106526 UMKJDHMCTMAVOI-MOPGFXCFSA-N 294.527 4.734 30 10 CJEE Cc1cccc(C#N)c1Sc1ccc2c(c1)CCC2 221496989 SOMAHRVIGMTTTN-UHFFFAOYSA-N 265.381 4.507 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cncc(F)c1 226031948 LIILYMJUWUEFSI-GFCCVEGCSA-N 288.391 4.672 30 10 CJEE CCCCCCCCCCNc1nc(C)cc(OCC)n1 226651754 UBSPSHJQOJYCCZ-UHFFFAOYSA-N 293.455 4.736 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC(CC)(CC)C2)C1 228235823 VNYQNRBRBTUXPC-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(OC(F)(F)F)cc1 229736106 WGTZTMRMHHTJEB-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2F)C1 231191549 LWLNTBCPIXSIHT-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCC[C@H](O)C1(C#N)CCCC1 232929747 TWLBOZHPHBPMPG-HNNXBMFYSA-N 251.414 4.572 30 10 CJEE CCCCCCC[C@@H](NC)c1c(C)cc(C)cc1OC 232948951 IFAAVVJEVPZXPY-MRXNPFEDSA-N 277.452 4.933 30 10 CJEE CCCCCCCCNc1nccc2ccc(O)cc12 232949564 BQSDMVFKORDVFR-UHFFFAOYSA-N 272.392 4.713 30 10 CJEE CSc1ccc(CNc2ccc(C#N)cc2Cl)cc1 235092406 IYPMCFQGWJISGO-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C[C@H](N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N)C(C)(C)C 251083160 WTDPRHSFNACXDS-YHUYYLMFSA-N 278.484 4.707 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 252149255 OJCMIVQCPMSVPM-YABSGUDNSA-N 296.336 4.814 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@H]1SCC 300658653 LSCIIBMXCRNWGX-HRCADAONSA-N 271.514 4.999 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)CCCC 300956456 PSAZEQZUFPRTTK-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CC(C)(C)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cc1 306873727 YFRZHSQPVQZMJR-OUKQBFOZSA-N 286.224 4.629 30 10 CJEE CCCCCCCCCCN[C@H](CC)[C@H]1CCOC1 311701587 HXGNZBCTMXDJJG-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC(C)(C)CCCOc1ccc(C#N)cc1C(F)(F)F 312172073 XUSNACBNYPFEIK-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CCCCCCCCn1ccc(CNCC(C)C)c1C 312257368 YVXHOGSRIODXEV-UHFFFAOYSA-N 278.484 4.903 30 10 CJEE N#Cc1ccc(OCC/C=C/c2ccccc2)c(Cl)c1 323710108 MNCDHQBDXRJUKS-XBXARRHUSA-N 283.758 4.694 30 10 CJEE CC[C@H](/N=C1/N[C@H](CC)[C@H](CC)S1)C1CCCCC1 328585032 GYUJQBCLQXFOFH-ZNMIVQPWSA-N 282.497 4.595 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(CC)cs2)C1 383114898 ZTWADAVSXKYKSA-YRGRVCCFSA-N 294.489 4.906 30 10 CJEE C=C(COC(C)C)[C@H](NCC)c1cc2sccc2s1 387567961 MBKAKNQVZNJTMI-HNNXBMFYSA-N 295.473 4.595 30 10 CJEE CC(C)[C@@H](C#N)CNc1c(Cl)cc(Cl)cc1Cl 397502910 BHJBWZMASQYGKJ-QMMMGPOBSA-N 291.609 4.854 30 10 CJEE CC[C@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 403132546 SLYCCGZTESPEKK-HNNXBMFYSA-N 271.747 4.742 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2cc(C)ccc21 692190236 JDQWCSMUDZGMFG-ZFWWWQNUSA-N 286.444 4.941 30 10 CJEE C[C@@H](CCCC(F)(F)F)Nc1ccc(Cl)cc1C#N 695706113 XOKLZYGJPIAQGS-VIFPVBQESA-N 290.716 4.745 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C[C@H](C)CC 698916043 IWRBWQFRXMPQKH-PBHICJAKSA-N 296.455 4.742 30 10 CJEE CC(C)(C#N)CCCNCC1CC(C)(C)CC(C)(C)C1 699430162 NVTFRAZXOUYYHD-UHFFFAOYSA-N 278.484 4.758 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCCC[C@@H]3C)C[C@@H](C1)C2 700367123 TZZRQEZRMAHLQU-AQDBYXPISA-N 261.453 4.680 30 10 CJEE C=CCCC(C)(C)CNc1cccc(Cl)c1[N+](=O)[O-] 707734380 GBKLXBPRVCJCFV-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCCOC1)NCCC 708338972 RAOQVVJTHIKMSC-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CN([C@H]1CCCC(C)(C)C1)[C@@H](CC#N)c1ccccc1 708584190 OKRKTZRJENSTIE-IRXDYDNUSA-N 270.420 4.542 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714397582 SQWJUGDJJKTLHT-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn(C)c1C(F)F 714780408 FSNXUBSJMUKSJR-CYBMUJFWSA-N 288.382 4.532 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](CC)CC(F)(F)F 715706505 SFUFHHJMMMGPJP-RWMBFGLXSA-N 265.363 4.545 30 10 CJEE C=CCCC(C)(C)Nc1cc(C(F)(F)F)cc(Cl)n1 717608053 IRQPBJNFXGBUCP-UHFFFAOYSA-N 292.732 4.911 30 10 CJEE CC[C@@H](Oc1ccc(C(F)(F)F)cc1C#N)C1CCC1 719793384 GTMLWXORUIGDGV-CYBMUJFWSA-N 283.293 4.535 30 10 CJEE CCCCCCCCC[C@H](O)C1C2(CC2)C12CC2 720225313 RWKPAZIJRNTARZ-AWEZNQCLSA-N 250.426 4.678 30 10 CJEE CCCCCCCCC[C@H](N)Cc1scnc1Cl 722018629 IJQKTJBCEKOEBZ-LBPRGKRZSA-N 288.888 4.807 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cccc(Cl)c2F)CC1 724543705 GMDRWNHVFUUKAC-OAHLLOKOSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](CCC)CC[C@@H]2CN)CC1 724619035 USRKHLGZZNOARD-NXHRZFHOSA-N 263.469 4.914 30 10 CJEE CC[C@@H]1CCCC[C@@H]1/N=C1/N[C@H](C2CCCC2)CCS1 725079408 ATNGSPCKPMCSLN-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE CSc1sc2cccc(CC#N)c2c1C(F)(F)F 725316515 ZMZVGWDCBHNYHU-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCCCN(CC)C(=S)Nc1cccc(C(C)C)c1 899695677 IFKRZSZHPUJVRB-UHFFFAOYSA-N 290.476 4.795 30 10 CJEE C=CCc1ccc(OC(=O)CCCCC(C)C)c(OC)c1 1124102509 QGELQSFIMMRYER-UHFFFAOYSA-N 290.403 4.546 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC(C)=C(C)C1)c1ccccc1 1139500330 PEPWXNLUGBHQFU-LJQANCHMSA-N 297.442 4.695 30 10 CJEE C#CCCCCCCN1CCC(c2ccccc2C)CC1 1169101823 HHLNGANDTIYZRK-UHFFFAOYSA-N 283.459 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc2cccc(OC)c2o1 1179142335 FHIKZXQYUYZRRB-RHSMWYFYSA-N 299.414 4.666 30 10 CJEE C#CCCCCCCN(CC)Cc1c[nH]c2ccccc12 1180928426 YWBHPLISXIKEIV-UHFFFAOYSA-N 282.431 4.574 30 10 CJEE C=CCC1(N[C@H]2CC[C@@](C)(c3ccccc3)C2)CCCC1 1182902440 MLBCKDGQVQHEII-RBUKOAKNSA-N 283.459 4.975 30 10 CJEE C=C(C)CCN(Cc1c(F)cccc1F)C1CCCC1 1190905119 VXTOKPVJTQJRHJ-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 1204938596 RDQGPBPARXOAFM-CABCVRRESA-N 272.392 4.524 30 10 CJEE C#C[C@@H](NCC[C@H](C)c1ccccc1)c1ccc(Cl)cc1 1206085430 XATDNBXJBYQHIJ-HNAYVOBHSA-N 297.829 4.798 30 10 CJEE C=CCCCCC[C@H](C)Nc1cncc2c1CCCC2 1206637098 WDBLEYKZZMWOMB-HNNXBMFYSA-N 272.436 4.897 30 10 CJEE C=C1CCC(C(=O)N[C@H](CC)c2cc(C)ccc2C)CC1 1287821991 WZVNNOYYTCLIQD-GOSISDBHSA-N 285.431 4.617 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1287906882 YDPGGHQRBHEZRT-FUHWJXTLSA-N 291.479 4.796 30 10 CJEE C#C[C@H](NCCC1CCCCC1)c1ccc(Cl)cc1F 1308758568 RFCWTTCAJWQOIL-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE C=CCC1(C(=O)NC[C@@H](c2ccccc2)C(C)C)CCCC1 1350113045 MYQCZGSJYPPVBO-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CC1(C=C)CCCCC1 1354035191 IOEGJUMGPASDNC-UHFFFAOYSA-N 297.442 4.728 30 10 CJEE C=CCCCN(CC)C(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 1439896495 YNALQQFYWJVNED-IAGOWNOFSA-N 299.458 4.791 30 10 CJEE C=CCCCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 1459444529 KZFKIVPJTDWZFN-LLVKDONJSA-N 272.219 4.952 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)Cc1cccc(C(F)(F)F)c1 1462161323 GRMQXPDWBLTCDB-IUODEOHRSA-N 285.353 4.581 30 10 CJEE C#CCN(Cc1sc2c(Cl)cccc2c1C)C(C)C 1462628177 DFQUHHZBQQUCFO-UHFFFAOYSA-N 291.847 4.707 30 10 CJEE C=CCN(CCCC1CCCCC1)CCc1ccco1 1473318823 HTSIEKPBNLSPIA-UHFFFAOYSA-N 275.436 4.671 30 10 CJEE C#CCCCCCCN1CCC[C@@]1(C)Cc1cccc(C)c1 1473687068 RUQFCIFQEPYDCP-NRFANRHFSA-N 297.486 4.976 30 10 CJEE C=CC(C)(C)CCCNCC1CCC(C)(C)CC1 1474256530 QLHCGPFQVDBDIT-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(OC)c(OC(C)C)c2)C1 1474419115 SIKSLUBAWUSNBT-GJZGRUSLSA-N 289.419 4.639 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CCCC)CCCC 1478964491 QFAOWMOUOBMNBR-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=C(C)CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 1515927397 QNQHXSJHGNSGPP-MRXNPFEDSA-N 291.410 4.776 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1cc(Cl)ccc1Cl 1521732609 RIAKXURJKIRQNS-JTQLQIEISA-N 287.186 4.639 30 10 CJEE C=CCN(C(=O)C=C(CCC)CCC)c1ccccc1 1525888066 WQZWFUPJDVYSRK-UHFFFAOYSA-N 271.404 4.732 30 10 CJEE C=CCC1(C(=O)OCc2csc(C)c2C)CCCCC1 1532100546 DCPTYYNGBQVUCE-UHFFFAOYSA-N 292.444 4.935 30 10 CJEE C=CCC1(C(=O)N2C[C@H](CC)CC[C@H]2C)CCCCC1 1532335152 UVKJKZJLOKLOKA-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=C1CCC(CNC(=O)c2ccc([C@@H](C)CC)cc2)CC1 1537408069 HKYDPBBGNGREKH-HNNXBMFYSA-N 285.431 4.676 30 10 CJEE C#Cc1ccc(CN[C@H]2CCc3ccc(C(C)C)cc32)cc1 1560448019 OZVYIWMLMFTJJK-NRFANRHFSA-N 289.422 4.568 30 10 CJEE C=C(CC)CNCc1ccc(Sc2ccccc2)cc1 1560503471 NSKHLSTXBIBPPU-UHFFFAOYSA-N 283.440 4.894 30 10 CJEE C=CC(C)(C)CCNCc1cc2ccccc2cc1OC 1560543092 DHBKIRGIXFGEBS-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(COC)cc1 1560792363 HPYBFEVGIUBSFA-HNNXBMFYSA-N 261.409 4.770 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CC(C)C)CCC1 1584863997 OREZWCOZRIYOCS-SFHVURJKSA-N 299.458 4.506 30 10 CJEE 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CCCC[C@@](C)(CC#CC1CCCC1)CNC1CC1 2274167228 UNYGZAXNIUHCLI-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C1(Cl)CC1 2277358322 QVKABBYZBSBZLJ-HNNXBMFYSA-N 289.891 4.633 30 10 CJEE CCCCCCCC[C@@]1(F)CCN[C@H](C(F)(F)F)C1 2277412850 JWVAVDPVHHVMKI-QWHCGFSZSA-N 283.353 4.760 30 10 CJEE CCCC[C@H](CC)C[S@@](=N)(=O)[C@@H](C)CC(C)(C)C#N 2278253797 UOEJKMPMVZERRS-CKFHNAJUSA-N 286.485 4.578 30 10 CJEE CC#CCCC[C@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279185445 DLKIFNPVLLADAZ-SLTAFYQDSA-N 289.385 4.527 30 10 CJEE Cc1cc(N[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)cc(C)c1C#N 2280568717 MKZLGHHTDOTMDZ-NYPXFFEGSA-N 270.420 4.658 30 10 CJEE C[C@@H](NC(C(C)(C)C)C(C)(C)C)c1cccc(C#N)c1 2281572928 OHLXTAJVAQNZPO-CYBMUJFWSA-N 272.436 4.670 30 10 CJEE Cc1c(F)cc(C#N)cc1NCc1csc(C2CC2)c1 2283081619 MKQGTHOETBXCSP-UHFFFAOYSA-N 286.375 4.557 30 10 CJEE CC[C@@](O)(CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2284070047 AVOSFENROALWFF-GOSISDBHSA-N 290.834 4.933 30 10 CJEE CCc1ccccc1[C@H](CC=CC#CC(C)(C)C)NC 2284105557 OYSRSIKAWDWAMJ-SFHVURJKSA-N 269.432 4.505 30 10 CJEE C=C(C)CCCC[C@H](N)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2287416128 XGFYHJBLEVJMHC-UYTSQGDYSA-N 285.422 4.912 30 10 CJEE C=C(C)CCCC[C@@H](Cc1c(F)cccc1F)NCC 2287469137 CNOLINGLBTWDEN-AWEZNQCLSA-N 281.390 4.622 30 10 CJEE CCCCCCCOCC[C@@H]1CCCC[C@H]1NCCC 2288864014 ZMSYWXZSXQFWET-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(C(C)C)CCC1 2289854010 FRXAMVOAACFKLJ-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1(C)CCC2(CC2)CC1 2289905641 UHVYMZKPWVDKAF-KRWDZBQOSA-N 273.464 4.519 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(CC2CC(CC(C)(C)C)C2)C1 2290114868 WVEAKOPXKZQXCH-AJTLQJAISA-N 277.452 4.938 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCCC(C)(C)C1 2290916740 BZJYKWWRAXTROJ-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@]1(C)CC1(C)C 2290929014 WCDDQKDQPNZGKE-PBHICJAKSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@@](C)(CCC(C)(C)C)OCC(=O)O 2291442312 VEYYHEVTVWTQTD-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](OCCCN)(C(C)C)C(F)(F)F 2293650496 ZRTHFABMBCQYQB-AWEZNQCLSA-N 297.405 4.669 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CC[C@@H](C)[C@H](C)C1 2293676993 XFMHQTSXUFNNKC-TVFCKZIOSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]2C[C@H]2C1)OCCN 2293921593 MADJSEHLBWOQHK-MHORFTMASA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NCCn1cc(Cl)cn1 2295676039 HNQDXMOBGGQRCY-OAHLLOKOSA-N 299.890 4.655 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CCCC1CC1 2295677961 FKCOIAWHYCIQFI-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCOCC[C@@H]1C 2295683624 DLAUHMRURFWBTK-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(CCC)NC(C)C 2295710782 JNFIXRZAQSJLNG-SJORKVTESA-N 298.540 4.996 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(Cl)s1 2298823749 GJYYXDDQEHGMDT-MNOVXSKESA-N 289.897 4.750 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(F)cccc1Cl 2304085812 IUPRLJXSLMRHEC-AWEZNQCLSA-N 254.732 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@@H]1C)NCCC 2321102859 URSBSWCZPAFGDT-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NCCC 2321117838 PZOCDIRXMAEFOS-QXSJWSMHSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1C[C@H]1C1CCCCC1 2321233216 NNJKIPUCLXASOQ-OWCLPIDISA-N 250.426 4.556 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)c1ccc(Cl)cc1 2327080240 MYNGFXGBRGCQLY-OAHLLOKOSA-N 285.884 4.758 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@H]2F 2329118942 IIXVHAGJUVTPIM-MWDXBVQZSA-N 269.448 4.853 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC[C@@H]1C[C@H]1C1CCCCC1 2337156598 ZYUSPICWYACUDH-XLAORIBOSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CCC(CC)CC 2338129328 SMFCELNJMLSQOY-SJORKVTESA-N 271.489 4.642 30 10 CJEE CC1=CC(=O)[C@@H](CC(C)(C)Cc2ccccc2)CC1 2339496384 SHXCQYITJGXLKH-MRXNPFEDSA-N 256.389 4.571 30 10 CJEE O=C[C@@]1(CCCCC(F)(F)C(F)(F)F)CC=CCC1 2342350662 YYUZVYCSDUIYKP-NSHDSACASA-N 284.268 4.670 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)cc(OC)c1 2344372938 WRCRIAZXAFGMOX-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(F)ccc(F)c1Cl 2344373822 CYJHPIAVMKBPOW-GJZGRUSLSA-N 287.781 4.871 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(C)ccc1C(F)(F)F 2344384496 MAUOWYPQIRHJPH-ZDUSSCGKSA-N 271.326 4.616 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1nc(C)cc2sccc12 2344413048 YFKNLWQKUNQYEH-INIZCTEOSA-N 273.401 4.780 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(C)c(C(F)(F)F)c1 2344470382 YQAUNFMDMBJBQO-CYBMUJFWSA-N 272.310 4.650 30 10 CJEE C=CCC[C@@](C)(O)c1ccc(CCCCCC)cc1 2353112770 QUBYWMRWPRFARD-GOSISDBHSA-N 260.421 4.983 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCCC2(CCC2)C1 2353843084 NNCHKWXVTXYAIQ-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1C[C@@H]2CC[C@H]1O2 2358321848 GEUDBEXMTKKMDE-BSDSXHPESA-N 280.452 4.612 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)OCCN 2360146571 WJEXUJIUPIZEDX-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE c1ccc(CN=C2c3ccccc3Cc3ccccc32)cc1 4566550 YYTAAYHJLNKFDY-UHFFFAOYSA-N 283.374 4.628 30 10 CJEE Cc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1 36255829 BQILPHVLXOYTAJ-UHFFFAOYSA-N 295.411 4.561 30 10 CJEE N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 36930354 SMRQJJGYNOVYEU-OAHLLOKOSA-N 295.407 4.507 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc2[nH]cnc3cccc1c32 38168310 RFPSGLGXMUTAFY-XFXZXTDPSA-N 298.345 4.612 30 10 CJEE Cc1ccc([C@@H](C#N)Cc2c(C)cc(C)cc2C)cc1 57760602 DKCDHTUQQWZIIX-GOSISDBHSA-N 263.384 4.770 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)NCC)c1 59423064 VIJWHQGCLGJCPT-OAHLLOKOSA-N 290.451 4.597 30 10 CJEE C/C(CCc1ccc(O[C@@H](C)c2ccccc2)cc1)=N\O 70543915 BZUMPTLFFVTKHQ-FHHIAAGZSA-N 283.371 4.609 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86901754 LISPTCLKGDANIW-OAHLLOKOSA-N 256.393 4.523 30 10 CJEE CCC[C@H](CS)CSCc1cccc(C)c1 87098060 QBCAAQDHPOWPGB-CQSZACIVSA-N 254.464 4.574 30 10 CJEE N#C[C@]1(Cc2cccc(Cl)c2)CCc2ccccc2C1 87998287 YKGVWBBICBUGEN-SFHVURJKSA-N 281.786 4.581 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)c1ccc(Cl)cc1Cl 93955751 DRXSRYSZENCVBO-ZANVPECISA-N 254.160 4.575 30 10 CJEE SCCCCCCN1CCC2(CCCCC2)CC1 94579373 ZOTVOMYMOQDXMJ-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(C)ccc1OCCC 107584615 YSQSGNHWSFWBKN-CVEARBPZSA-N 258.405 4.937 30 10 CJEE CCC#CCCc1c(OCC)cc(C)c(Cl)c1C 107623734 VRQKELRBXJADFH-UHFFFAOYSA-N 264.796 4.702 30 10 CJEE CCCOc1cc(C)c([C@H](C)CCC#N)c(C)c1C 107639902 XTGPHNLPHZZIDN-GFCCVEGCSA-N 259.393 4.808 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1ccc(C#N)c(Cl)c1)C2 109772266 MVRXGVSWLPPBAO-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE C=C(Cl)COc1ccc(Cl)cc1[C@H](C)NCCC 110096625 IUJFXDJDUNVUGH-NSHDSACASA-N 288.218 4.532 30 10 CJEE CCCCCCCO[C@H](CNCC(C)C)c1ccccc1 110170267 CGPGLYIROYWVRJ-LJQANCHMSA-N 291.479 4.960 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CNC2CC2)C1 111610801 HBKWUWONQCZBAZ-GOSISDBHSA-N 294.527 4.591 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H](CCC)CC1 112756906 HZRAIKFGZGGXOK-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CCCCCCC[C@]1(C#N)CCOc2ccccc21 115045471 QQIICQGZYXBNSG-QGZVFWFLSA-N 257.377 4.591 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(OC)cc1OC 115856348 RZARDYZWWYBLQG-QGZVFWFLSA-N 293.451 4.715 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1coc(C)c1 122671081 VFOQCOQNTNYGQS-MRXNPFEDSA-N 266.429 4.623 30 10 CJEE CCCCCCCCCCNCc1cnc(CC)s1 124771319 WWEBKSKIVXICJO-UHFFFAOYSA-N 282.497 4.936 30 10 CJEE CCCCCCCCCCNc1cnccc1C#N 125011105 DRAYADMKDXIYEF-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(CCC)c1 125131774 NWXDSKZJODHIST-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 128039504 POKKNQPXPPCDCY-UWVGGRQHSA-N 258.192 4.609 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(C)cc(F)c1 130230045 HLXNNJGISGKINH-KRWDZBQOSA-N 280.431 4.779 30 10 CJEE CCSc1cccc(OC2C[C@@H](C)C[C@H](C)C2)c1C#N 136719873 QFOYMGRTALLJAT-STQMWFEESA-N 289.444 4.874 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(OC)cs1 157957155 HPCFSOCIRVVYHT-AWEZNQCLSA-N 269.454 4.897 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1ccccc1F 158951465 LWODNBMHFYVPCG-QGZVFWFLSA-N 265.416 4.836 30 10 CJEE CCCCCCCC[C@H](O)c1c(Cl)cnn1CCC 159068807 MEIIEVWZCWOCAW-AWEZNQCLSA-N 286.847 4.731 30 10 CJEE CCCCCCCCCCC[C@@H](O)CCc1nccn1C 159768422 DFRJBTBSBBXTOI-QGZVFWFLSA-N 294.483 4.635 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@](C)(CC)OCC 159871167 DWEUMSVSERXYFB-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCCCS1 161326287 DWNMXKHMGRBHSV-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CO[C@@H](C)C1 162365869 CYVFHPIUVKPDIC-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1(c2ccccc2)CCC1 164579871 BUTJKVRKLYPUSY-GOSISDBHSA-N 271.448 4.833 30 10 CJEE C=CCCC[C@@H](NCCC)C1(OC)CCC(C)(C)CC1 166870930 YPTRKEGXSAMLDH-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN2CCC[C@@H]21 168256014 NHJNUJKOYOHODD-RTBURBONSA-N 295.511 4.897 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(Cc1ccoc1)C1CCCCC1 185893762 MJFBKPHOYOOVDS-HNNXBMFYSA-N 289.419 4.543 30 10 CJEE Cc1cc(Cl)ccc1Nc1ccc(C#N)cc1C 203440007 HEICCOOYRGYWQG-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCC[C@@H]1C(C)C 214681281 SVSQMEYCJOCOKV-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE C=C(COCCCCCCCCCCCC)C(=O)O 218620268 AEAJDNCNIAMTMD-UHFFFAOYSA-N 270.413 4.565 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC3(CCCC3)CC2)C1 222808607 UWWSRJZDUDJNJU-KURKYZTESA-N 288.479 4.751 30 10 CJEE CCCCCCCCNC1=NC[C@H](CC(C)(C)C)S1 226171008 PLKUGNRIEODEHX-AWEZNQCLSA-N 284.513 4.844 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1ccc(Cl)cc1C#N)C2 228970761 DROWPWQUBCCUJO-NUTKFTJISA-N 289.806 4.805 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc(C)co2)C1 232842406 BIILZDQGCOWHTP-MJBXVCDLSA-N 292.448 4.820 30 10 CJEE C=CCCCCC[C@H](NC)C1CCC(CC)CC1 232909354 JSVVDUVSIHNFHJ-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@@H](NCC)c1scc(C)c1Cl 233583365 SGJIZOSKBAKCAN-LLVKDONJSA-N 257.830 4.717 30 10 CJEE ON=C(c1ccccc1)c1cc(C2CCCCC2)ccc1O 254557363 TYNXZCMIRQJMGE-UHFFFAOYSA-N 295.382 4.667 30 10 CJEE Cc1cccc2c1CC[C@H](CC#N)C21CCCCC1 260596122 MRGRQMATMRVISG-OAHLLOKOSA-N 253.389 4.673 30 10 CJEE Cc1c(Cl)ccc(C(=O)C2=CC[C@@H](C)CC2)c1F 310802621 XQKLNTCTIDGNKB-SECBINFHSA-N 266.743 4.717 30 10 CJEE C=CCC(C)(C)CNCc1ccc2ccccc2c1 311596534 BMEUOMSBJQYBIN-UHFFFAOYSA-N 253.389 4.532 30 10 CJEE CC(C)C(C(=O)[C@H](C#N)c1c(F)cccc1Cl)C(C)C 312237962 JFABECAYPZEPCQ-LLVKDONJSA-N 295.785 4.584 30 10 CJEE C[C@@]1(c2ccc3ccccc3c2)CCC[C@H](CC#N)O1 312596819 DKXZJGRHJWSHDI-MSOLQXFVSA-N 265.356 4.538 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCCCC2(F)F)C1 317254541 DUQAGVRCVMDPSW-QLFBSQMISA-N 272.379 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC[C@H](C)C2)C1 317339814 RFSTZDMHJSOCPY-YLFCFFPRSA-N 250.426 4.988 30 10 CJEE C=C(CC)C[C@@]1(CNCCC)CCc2ccccc2C1 317498415 NUFKKDTWLBZCCU-IBGZPJMESA-N 271.448 4.518 30 10 CJEE C#CCCC[C@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317778404 DNEOKVMOFJVYDL-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)[C@@H](C)CC 319572436 HLADSTAEDPPCBL-JYJNAYRXSA-N 256.478 4.641 30 10 CJEE C=CCC(C)(C)COCc1cc(Br)cs1 378691925 ZWZTYSMDNZIKLK-UHFFFAOYSA-N 289.238 4.630 30 10 CJEE C#C[C@@H](Nc1c(Cl)cc(F)cc1Cl)c1ccccc1 378696725 GJUDGPABJBATIQ-CQSZACIVSA-N 294.156 4.919 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2cccc(Cl)c2Cl)O1 380063037 YNQXFNWZDAMBQH-DGCLKSJQSA-N 270.159 4.517 30 10 CJEE C[C@H]1C[C@](C#N)(Nc2cccc(Cl)c2)c2ccccc21 380318144 MYPOEJZRPOJMEU-YVEFUNNKSA-N 282.774 4.678 30 10 CJEE O=CC1(c2ccc(OCc3ccccc3)cc2)CCCCC1 383408875 DDWXDJCVINWMPT-UHFFFAOYSA-N 294.394 4.666 30 10 CJEE C[C@](O)(c1c(Cl)cccc1Cl)C1(C#N)CCCCC1 400919499 RYBHFNKHIJLCOW-AWEZNQCLSA-N 298.213 4.675 30 10 CJEE Cc1ccc2cc([C@H](C)NCC3CCC(C#N)CC3)oc2c1 442866430 LLJYMZLIPFMKRE-FHERZECASA-N 296.414 4.722 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1Nc1ccccc1 467932435 WUEQTUSLIWMBNH-OAHLLOKOSA-N 294.398 4.971 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 553507310 OPTQSTATVSNGSR-RYRKJORJSA-N 285.431 4.589 30 10 CJEE CCCCCCCC[C@H](O)c1csc(COC)c1 688133457 YHUUKOUMQOWBBA-HNNXBMFYSA-N 270.438 4.679 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCO[C@H]2CC2(F)F)CC1 688986481 OUQCHWNVBGVCEY-OWYJLGKBSA-N 285.378 4.547 30 10 CJEE CCc1ccc(N=C2N[C@H](CC)[C@H](CC)S2)cc1Cl 691292448 MLGHJUMRIBCYFK-KGLIPLIRSA-N 296.867 4.784 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CC2CCC1CC2 692222871 VEPCZXCDMBDEAA-NHHFINERSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](OC)C1CCC1 692756702 GPUSNELXTYVZPX-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE C=CCCC[C@@H](NC)c1ccc(C)c(C(F)(F)F)c1 693442682 GUNLESQWBMBHID-CQSZACIVSA-N 271.326 4.631 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](CC)NC 695607480 FZZQZIAPSUJEAF-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCCCOCC[C@H]1NCCC[C@@H]1C 697238677 JTPGLZAFXYOGSY-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)C(CC)(CC)CC 698967988 LRKCALVEGGSQKJ-AWEZNQCLSA-N 296.455 4.742 30 10 CJEE CCCCCCCCCCCCN[C@@H]1COC[C@H]1C 699804209 HFULLQPFFADBCO-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CCCC(C)(C)CN[C@H](c1ccccc1)C(C)C 704047486 QKGBIFWJSGXFHN-KRWDZBQOSA-N 259.437 4.966 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CCSC1 708730166 MUCDHSSVUXWWHA-CQSZACIVSA-N 256.455 4.839 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@@]12CCCC[C@@H]1C2 709097999 QPOHVYPFDMLRGU-DAXOMENPSA-N 274.795 4.614 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2ccc(Cl)cc2C)C1 710741042 PSRHBLAXSMNNIW-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE CCCCCCCCC[C@H](N)C(C)(C)c1ccncc1 714323309 RVQSFLLFQFIMHP-KRWDZBQOSA-N 276.468 4.827 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714452835 WYDMUUIPWDXHRP-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1F 715737599 KQRQVOFIYOPBSX-BONVTDFDSA-N 287.781 4.871 30 10 CJEE CCCCCCCCCCCC[C@@H](N)COC1CC1 716901210 VTDATTMFJUVKQD-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccc(Cl)cc2)C(=O)O)CC1 724575633 DSQNTBWFRSAQQC-HNNXBMFYSA-N 292.806 4.720 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)C[C@H]3CC[C@H]2C3)CC1 724598686 CSBKWTHVGPZHQC-FHWLQOOXSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](C)[C@@H](C)CNC(C)(C)C)CC1 724615350 DVGFCIMFMVWPOB-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1cccc(C2CCCC2)c1 1130487459 UCTPZXLBQGPIBV-SFHVURJKSA-N 272.388 4.852 30 10 CJEE 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4.827 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](OCC)C(C)(C)C 2235514754 XOLGXJSHLLMVND-SJORKVTESA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1cccc(CC)n1 2235520169 WWMYVYODWUPOQS-GOSISDBHSA-N 274.452 4.735 30 10 CJEE C=CCCCCCCCOC[C@H](N)CC1CCCCC1 2235523647 HVTZQOUFCGAGTB-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@H](O)CC(C)C 2235525388 AROFAUQVUQFKSR-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1OC[C@H]2CCCC[C@@H]21 2235536033 SELYBONZKICJOS-SOLBZPMBSA-N 278.436 4.677 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1nc(C)oc1C 2235536568 WNBSDLCPEHBFBO-MRXNPFEDSA-N 278.440 4.859 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CCOC12CCCC2 2235539965 SEGPTEWFPCBNLF-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCN1CCO[C@@H](C(C)(C)C)CC1 2235540790 AUBMELMRPZASHG-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE C=CCCCCOC[C@@H](NCC)c1cc(C)cc(Cl)c1 2238015190 KCHXRJYKTGAUHX-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CC(C)Cc1ccc([C@H](C)NCC#CC(C)(C)C)cc1 2238714621 AIQBPRGIVMJJLS-INIZCTEOSA-N 271.448 4.585 30 10 CJEE C=CCCCCOCC1(CN[C@H](C)CC)CCCCC1 2239373788 GOZHJCORTGHMIC-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CCCCCCCCCO[C@@]1(C(=O)O)CCCC12CC2 2239513057 KESMFMDRENRDQK-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](C#Cc1ccc(Cl)cc1)NCC 2239568306 KGWWADVCTBIEQS-ZWKOTPCHSA-N 291.866 4.742 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc2nccn2c1 2240646595 BBYZFOWPJYHOBO-HNNXBMFYSA-N 273.424 4.885 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc3occc3c2)C1 2241153755 BVQPUIVCQCCULG-OAHLLOKOSA-N 269.388 4.611 30 10 CJEE C[C@@H]1CC[C@@H](CSCCCB2OC(C)(C)C(C)(C)O2)C1 2241574938 DRJWUQXMRPGXNV-ZIAGYGMSSA-N 298.301 4.638 30 10 CJEE CCC[C@@H](CC)CNc1ccc(Br)c(C#N)c1 2250383071 VYSJMYBIPPNXAV-LLVKDONJSA-N 295.224 4.559 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](C)C1(C)C 2258759669 FOUBZDMUSXUMRJ-CQSZACIVSA-N 271.514 4.623 30 10 CJEE C=C(C)CCCCN(C)CC(C)(C)CC(F)(F)F 2259175962 JHTMXPHVAAESPM-UHFFFAOYSA-N 265.363 4.643 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CN 2259193188 NYFKLRZOPIYUQN-ZACQAIPSSA-N 251.458 4.770 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](SC)C1CC1 2259193802 GFZKFFRGYCVSEQ-HZPDHXFCSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@@H]1CC[C@H](C)CC[C@H]1NCC 2259210350 HNMYEPZBGPSINF-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H]1[C@H](NCC)C(C)(C)CCC1(C)C 2261440304 AHONATFPGMJCGG-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2261444983 MJTAQJTZALYEQS-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cocc1C 2263666569 RRLHNUHAUSVKOW-INIZCTEOSA-N 252.398 4.936 30 10 CJEE N#C[C@@]1(C[C@@H]2CC(F)(F)C23CCC3)CCC(F)(F)C1 2266258192 AJYRUGPOICFEJS-GHMZBOCLSA-N 275.289 4.531 30 10 CJEE CCCC1CCC(NCC=CC#CC(C)(C)C)CC1 2268825147 SHPHIJYTVZONKB-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(CC)NCC 2271515988 LUDFBRKAXXGCSB-MRXNPFEDSA-N 282.497 4.528 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](C)C[C@@H](C)S1 2272259785 GEXPSBYHGQJUIV-RRFJBIMHSA-N 284.513 4.698 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cccc(Cl)c1 2273980434 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CCCCCCCCCC[C@@H](OCCN)c1nccs1 2294563010 ROMRSNZTKSVDFE-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@]2(C)CO[C@H]1C2 2295689704 TWIIMQVPQWSZDR-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H](C)C1CC1 2295689724 UBVMQBJGXWPUSG-NJAFHUGGSA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)S[C@@H](c1ccc(Cl)s1)[C@H](N)CC 2298816843 LNCIUCZXUNWTEY-OPQQBVKSSA-N 289.897 4.878 30 10 CJEE CC[C@H](CS)COCC=C(C)CCCC(C)C 2300918938 PZMKXDLLIGVTSW-HNNXBMFYSA-N 258.471 4.732 30 10 CJEE CCCCC[C@H](CC)OC[C@H](CS)CC(C)C 2308056216 JFMJAVCADVNJTA-CABCVRRESA-N 260.487 4.954 30 10 CJEE C=CCC[C@H](C)[C@@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2309181792 GSEXSRIAYHILGH-QUSNUVHPSA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312880037 METQABJBXZXELA-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CCC2(F)F)CC1 2313723088 QPQSGAKKSJBBGH-JSGCOSHPSA-N 258.352 4.597 30 10 CJEE CCC1(CC)CC(C#N)(c2ccc(Cl)c(F)c2)C1 2315343719 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CC(C)C[C@H](CS)CN(C)C[C@H]1CCCC(C)(C)C1 2353835427 MMGVFHGBDPMZCC-HOTGVXAUSA-N 285.541 4.727 30 10 CJEE CCCCC#CC[C@@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC 2358138201 KERZYTBGQDHXSU-AKHDSKFASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2 2359314380 QTQZARGKDLNJND-YDZRNGNQSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H]1C[C@@H]1C)OCC(=O)O 2360033385 BMCSXONGYFKWKP-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@H](C)CC1CC1 2360309405 LRZGTYMLGPYIKB-NJAFHUGGSA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)S[C@H]1CCc2ccccc2[C@H]1NC 2360335392 AMGDPOYTFOOMSD-ZWKOTPCHSA-N 287.472 4.516 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC(C)C)cc1F 2360368617 PBEKKAWWCWVTET-UHFFFAOYSA-N 293.451 4.937 30 10 CJEE CCC[C@@H](Nc1cccc(C#N)c1)c1ccccc1 21794522 PXQLARKAGJUWJW-QGZVFWFLSA-N 250.345 4.512 30 10 CJEE N#Cc1ccc(Nc2cc(F)cc(F)c2)cc1C(F)(F)F 36805577 QZROMSLOHQCBQO-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37147104 QQSQRXFCIHFCBG-GUDVDZBRSA-N 284.447 4.583 30 10 CJEE CCc1ccc([C@H](CC)Nc2ccc(C#N)cc2)cc1 37223826 CMGZZUOCBLIFKJ-SFHVURJKSA-N 264.372 4.684 30 10 CJEE N#Cc1sc2cc(Cl)cc(Cl)c2c1Cl 40175343 RWOSASKRWBLIDR-UHFFFAOYSA-N 262.548 4.733 30 10 CJEE CCCc1ccccc1/N=C1/NC(CC)(CC)CS1 53066461 LLNVKCOBKNCZAL-UHFFFAOYSA-N 276.449 4.522 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(Cl)c1Cl 54824545 DEEODYHLJGGMJW-ZYHUDNBSSA-N 283.202 4.878 30 10 CJEE CCC[C@@H](N[C@@H](CC#N)c1ccccc1)c1cccs1 55018282 JQDOORNLEGNZQP-JKSUJKDBSA-N 284.428 4.834 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccc(F)cc1F 59526219 HTIAPEFOEWKRIV-CYBMUJFWSA-N 298.373 4.913 30 10 CJEE N#CC1(c2cccc(Br)c2)CC2(CCCC2)C1 86523249 LKDURSGHVCOMIA-UHFFFAOYSA-N 290.204 4.565 30 10 CJEE CCC(CC)n1ccc(C[C@@]2(C#N)CCC[C@@H](CC)C2)n1 87972349 MARYJBLWEFYHNL-CRAIPNDOSA-N 287.451 4.897 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@H](C)[C@@H]2C)CC1 91887196 PKBSTGCISQMGHE-QOCJCZBQSA-N 277.452 4.674 30 10 CJEE CCCCCCCSc1nc2ccc(N)cc2s1 103480807 OABNXNASODTXQR-UHFFFAOYSA-N 280.462 4.941 30 10 CJEE CCCCCCCOCc1cc(CNC(C)C)c(C)o1 107344984 JEORDXVRZMUDRR-UHFFFAOYSA-N 281.440 4.573 30 10 CJEE C=CC[C@H](C)c1ccc(OCC)c(Br)c1 107513216 DSRBLUAEUMLERT-JTQLQIEISA-N 269.182 4.527 30 10 CJEE C#CC[C@H](CCC)c1cc(Cl)c(OC)c(Cl)c1 107536871 LOXKJCJTNPLDAM-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CCCCCCCCOCCCC[C@@H](C)NCCC 110084039 IUJLQZYLPLDVCN-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCN(CCC)CCCN 110105427 SUXOMYBWXQDJJE-UHFFFAOYSA-N 284.532 4.968 30 10 CJEE CCCCCCCCN1CCSc2ccc(N)cc21 110369071 JBGUOUNFAQMSOZ-UHFFFAOYSA-N 278.465 4.541 30 10 CJEE CCCCCCC[C@H](NCC)C1(N(C)C)CCCCC1 118181631 JCTUVCHJRJLCPA-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC[C@H](CC[C@H]1CCCO1)NN 123526711 AAEWPDYNMWBMSO-QZTJIDSGSA-N 298.515 4.698 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)CCO[C@H]1C 125576178 QCYKDWAKORWYSR-FUHWJXTLSA-N 281.484 4.674 30 10 CJEE C=C(CNc1cccc(SC)c1)c1ccccc1 134355500 XRLGPALHMICRAU-UHFFFAOYSA-N 255.386 4.534 30 10 CJEE CCSc1cccc(O[C@H](C)c2ccccc2)c1C#N 136700475 LTJVNMBXXMDTOY-CYBMUJFWSA-N 283.396 4.810 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(CC)nn1CC 139605102 GEMHKLNUKZSRHG-QGZVFWFLSA-N 293.499 4.867 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cccnc1C 139605500 UTOJDOBVHXRHOE-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCOCc1cc(CNCC)sc1C 156170869 CPEGLFAZAPBZGV-UHFFFAOYSA-N 283.481 4.653 30 10 CJEE CCCCCCCC[C@@](C)(F)C[C@@H]1CCCCN1 157401742 DLKYAVQTWYNLEY-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(F)cc(F)c1 160866855 ACPXLKVTASESBN-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(Cl)ccc1OC 167734776 DNXYPYUVXZETLZ-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2ncccc2c1 183315945 NFOLDELRZQSNEN-CQSZACIVSA-N 287.366 4.588 30 10 CJEE CC(C)(C)c1ccc(C[C@](C)(C#N)N2CCCCCC2)cc1 212306949 RTNXPLJRBNCPAZ-HXUWFJFHSA-N 298.474 4.685 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c(OC)c(C)c1 214933984 HKJQXUHWYHYYLD-INIZCTEOSA-N 264.409 4.706 30 10 CJEE CCCCCCCCC[C@H](CN)N(CCC)CCC 219680530 KYRRVILOUWOHKL-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nccs2)C1 226712938 ZBXMKDOXKQGNDL-TUAOUCFPSA-N 280.462 4.590 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCCC)[C@@H](C)C1 227579966 NODGNODSLWLINW-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCn1cncc1[C@H]1CCCCN1 228972652 MUHIVYBGGHDBMQ-QGZVFWFLSA-N 291.483 4.838 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cc(F)cc(Cl)c1 230016392 MDPBMBAXDQCGTA-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCC23CCCCC3)c1 230173684 KDGXSPYSYQHFHQ-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CCCCCCCCCCCC(=O)c1ccn(C)n1 231999118 CRSVFLYIGXUQLE-UHFFFAOYSA-N 264.413 4.524 30 10 CJEE CC(C)[C@@H](NCCCCC(C)(C)C#N)c1cccs1 232690858 HYEAIVZKHACVAK-OAHLLOKOSA-N 278.465 4.755 30 10 CJEE CCCCCCCCC[C@](O)(COC)c1ccccc1 232955453 WPOTZJLWYFVWAL-SFHVURJKSA-N 278.436 4.661 30 10 CJEE N#Cc1ccnc(Nc2cc(Cl)ccc2Cl)c1Cl 236057517 ZQDIWQXEZPAPEI-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE O=C(C1=CCCCCCC1)c1cc(Cl)ccc1F 236138268 ZVAINDGOIANXGJ-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE CCC(CC)(CS)CO[C@@H]1C[C@@H](C)C[C@@H](C)C1 250372838 ASXPKMGEIZOSMW-WDNDVIMCSA-N 258.471 4.564 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CCC)CC[C@H]1NC 250836427 VDAOIQNAEBQKAL-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCC[C@@H]1CCCN([C@@H]2C[C@H](CC)CC[C@H]2C#N)CC1 251374634 QXOUDLOGZAQQTM-ZJPYXAASSA-N 276.468 4.607 30 10 CJEE CC[C@@H]1O[C@H]1[C@H](C)Cc1ccc(OCc2ccccc2)cc1 251806219 YNKGLMHHOSOQDU-XPGWFJOJSA-N 296.410 4.622 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C(C)=NO)cc1 252676830 LXPQWDGKAOCVGW-UHFFFAOYSA-N 290.407 4.574 30 10 CJEE CSc1cccc([C@@H](CC#N)C2CC2)c1SC 260093212 FPXBLSWWFFOTTB-NSHDSACASA-N 263.431 4.538 30 10 CJEE N#CC[C@H](c1ccc(OCc2ccccc2)c(F)c1)C1CC1 260759879 QSOMVJWQZYTISE-KRWDZBQOSA-N 295.357 4.812 30 10 CJEE CCCCCCC[C@H](N)Cc1sccc1Cl 304627540 YNOSYKJHLSKHBW-NSHDSACASA-N 259.846 4.632 30 10 CJEE C=CCCCCCCNc1cc(Cl)nc(C2CC2)n1 312048667 AXQXDWZNOXFJDI-UHFFFAOYSA-N 279.815 4.556 30 10 CJEE CCCCCCCCn1cc([C@H](C)NCCC)nc1C 312844761 LHMRZCVSJWMTOG-HNNXBMFYSA-N 279.472 4.613 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCCC12CCCC2 313173328 UVZVHKOFZOSYBS-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE Cc1ccccc1CC1(C=O)CCC(C(C)(C)C)CC1 316797028 IKMHAZQTIQHTIX-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE CC(C)C1CCC(C=O)(Cc2sccc2Cl)CC1 316866479 PPOGKVZDKHAWEV-UHFFFAOYSA-N 284.852 4.976 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 318005299 QYZIJGXDOROHPW-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cc(OC)ns1 320495253 OFSMPLBSOLICFO-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 324030892 OSWMKFFZYVJYCG-CQSZACIVSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCCCNC[C@@H](O)C(C)(C)C 324532707 PRLZTKYLFIQJRA-QGZVFWFLSA-N 285.516 4.904 30 10 CJEE CCCCCCCCCCCCC(=O)CN1CCC1 328507770 YZIUPOVJGCTIFR-UHFFFAOYSA-N 267.457 4.572 30 10 CJEE CC(CCc1ccc(OC[C@H](C)CC(C)C)cc1)=NO 379668144 AOOVXQGKSCSOEH-CQSZACIVSA-N 277.408 4.530 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cccc(Cl)c1Cl 385043074 ONUCKGGKBBIDQM-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C1(O)CC(C)(C)CC(C)(C)C1 385152730 KIIIQEPWIPYXRW-RHSMWYFYSA-N 277.452 4.674 30 10 CJEE C=C(COCC)[C@@H](O)CCCCCCCCCCC 387541721 GHAMFPSOYAAEGP-KRWDZBQOSA-N 270.457 4.861 30 10 CJEE CCCCCCCN(C)Cc1ccc(Br)cc1 404166677 JGMUDVUDHLJQJJ-UHFFFAOYSA-N 298.268 4.851 30 10 CJEE CCCCCCCC[C@@H](C)/C=C/CCC(=O)OC 504231357 JWWCQMLKFJOOAT-NRMKIYEFSA-N 254.414 4.883 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1C2CCC1CC2 530447169 FUQNYIVCYVWRSZ-UHFFFAOYSA-N 298.430 4.697 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H]2CC[C@@H](N2)[C@@H]1C 686080467 AYGISBOBXKVUQQ-BSDSXHPESA-N 281.484 4.673 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)C2(C)CCCC2)C1 688314436 DEHZQDUPVKCQOE-AWEZNQCLSA-N 277.452 4.674 30 10 CJEE C=C1CCCN(c2ccc([C@@H](C)NCCC)c(Cl)c2)C1 689057430 PYFHSBOWEHJXMX-CQSZACIVSA-N 292.854 4.557 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@H](C)SC1 689608992 HSZILKXIJYXIHP-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@H](NC)[C@]12CCCC[C@H]1C2 693239359 GTCXPZMSCSTTSK-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@H]1CCC12CCCCC2 694276609 GSPNCZYEKORSQZ-INIZCTEOSA-N 288.822 4.761 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1ccc(F)c(C(F)(F)F)c1 695862689 GDWUFJIUDTZHNZ-SECBINFHSA-N 289.272 4.552 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)c(C)c3)C[C@@H](C1)C2 697304457 KPOZCWHAHASHQM-BYICEURKSA-N 255.405 4.850 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1(N)CCCCC1 702753549 APAWQBCGIGGWGN-QGZVFWFLSA-N 283.500 4.930 30 10 CJEE CCCCCCCCCCCC(=O)c1cn(C)c(C)n1 706288455 TTXJGLPRGDLZMV-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE N#Cc1ccc(Cl)cc1N1CC[C@H](C2CCCCC2)C1 708814405 JMWCAPIOSAHWOZ-HNNXBMFYSA-N 288.822 4.618 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)[C@]12CCCC[C@@H]1C2 709207664 WDYGCOYCTYKIFE-NORZTCDRSA-N 274.795 4.592 30 10 CJEE CCc1cc(NCCCCC(C)(C)C#N)ccc1F 709659889 WACKYRWTZSGASN-UHFFFAOYSA-N 262.372 4.520 30 10 CJEE C=C(Cl)C[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 710476525 MTHUYDAYUNOZIH-INIZCTEOSA-N 293.882 4.874 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C1CCC1)[C@H]1CCOC1 711841594 JKFFVMXMJOPGMP-SZMVWBNQSA-N 281.484 4.530 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(F)c1Cl 715767427 COAOABPNTIMJOW-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE CCCCCCC[C@@H](C)n1cc(C(=O)O)c(C(C)C)n1 716010994 ZOAKMVOSIODMID-CYBMUJFWSA-N 280.412 4.626 30 10 CJEE SCC1(CN(Cc2ccoc2)C2CC2)CCCCCC1 723759205 WAGFFFKPQRYOBL-UHFFFAOYSA-N 293.476 4.514 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccnn1C1CCC1 724483540 AAFWXPGXOJJOTP-QGZVFWFLSA-N 278.440 4.782 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@H]2CC3CCC2CC3)CC1 724574577 DRKSOZCWOOZQMD-HRSCSKTISA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](O)C2(OCC)CCCCCC2)CC1 724577791 SHUSOQTYDQAZFZ-KRWDZBQOSA-N 280.452 4.613 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)CC[C@@H]2CNCC)CC1 724616754 MRDPOFQXFMENJX-NXHRZFHOSA-N 263.469 4.785 30 10 CJEE C(=Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc[nH]1 1083935359 HIKBEDZWQVHWQJ-UHFFFAOYSA-N 287.322 4.574 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C\c1cc(C)c(C)cc1C 1126324864 FAQFCLFLHXOREV-QXMHVHEDSA-N 299.458 4.830 30 10 CJEE C=C1CCC(C(=O)Oc2ccc3ccccc3c2OC)CC1 1129010876 HFNZCLJORUVPAS-UHFFFAOYSA-N 296.366 4.500 30 10 CJEE C=CCCCN1CCC[C@H]1c1ccc(Br)cc1 1167582932 XUFULKDPNKLWPX-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C=CCOc1cccc(CNCC2(C)CCCCCC2)c1 1178321630 IGDZOICLZQDOOE-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCc3cc(C)ccc32)CCCCC1 1264784158 OWZVNQFSDGGZJS-SFHVURJKSA-N 297.442 4.625 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)CCC=C(C)C)CCCC1 1279400273 PZRYJVARIYIFNW-MRXNPFEDSA-N 277.452 4.764 30 10 CJEE C=CCCC[C@@H](Nc1cc(C2CC2)ncn1)c1ccccc1 1307196801 BVGMBLFBKOONEW-QGZVFWFLSA-N 293.414 4.864 30 10 CJEE C#Cc1cccc(CN[C@H]2CCC[C@H]2CCCCCC)c1 1308822134 YTJMQIZDNZIJBC-UXHICEINSA-N 283.459 4.897 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(OC)ccc2C2CC2)C1 1308912533 WUPPMRCSHQGXAU-UKRRQHHQSA-N 271.404 4.729 30 10 CJEE C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 1358503480 NYXDCVZYXQGYJB-RLFYNMQTSA-N 279.468 4.557 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(CCCC)cc1 1458272013 LCLOYWMSWGNVMU-OAHLLOKOSA-N 273.420 4.504 30 10 CJEE C=CCC1(NCc2c(C)cc(C)cc2C)CCCCC1 1460632365 UVJRIPCNFLUQCE-UHFFFAOYSA-N 271.448 4.980 30 10 CJEE C#Cc1ccc(CNC(C2CCCC2)C2CCCC2)cc1 1461779628 WPAOMNYTFLUCAG-UHFFFAOYSA-N 281.443 4.507 30 10 CJEE C=CC(C)(C)CCNC(=O)C1(c2ccccc2C)CCCC1 1461783694 GNZFUWXNJZYYLD-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1Cl 1465184953 BPFWOLKLDPQRAD-JSGCOSHPSA-N 292.810 4.596 30 10 CJEE C=CCC1(CN[C@H]2C[C@H](C)CC(C)(C)C2)CCCC1 1474144745 AAHYTFBFIZUXCK-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc2occ(C)c2c1 1476438159 GODBXQBUUCORQX-HNNXBMFYSA-N 298.386 4.704 30 10 CJEE C=CCCCNCC1CCC(c2ccccc2)CC1 1560804004 NMGDARLBYIEEOO-UHFFFAOYSA-N 257.421 4.516 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc2cc(C)ccc2s1 1583437490 VWFFNIDWMFDJHP-CYBMUJFWSA-N 287.428 4.684 30 10 CJEE CCC(=O)/C=C/C=C/C/C=C/CCCCCCCC(=O)O 1615671690 UDNFCQRCBRMBQF-RHYAERGNSA-N 292.419 4.840 30 10 CJEE C=CCCCCN1CC=C(c2c(C)[nH]c3ccccc23)CC1 1615976417 WCPUBAHDFGLMBL-UHFFFAOYSA-N 294.442 4.922 30 10 CJEE C=C(C)CCN[C@@H](c1ccccc1Cl)C(C)C 1616817652 YSKKYEVFHCRQBZ-OAHLLOKOSA-N 251.801 4.593 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C2CCC2)cc1 1625512637 MFQSUWCZFDYSDL-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE CCCCCCCCCN1CCc2ccc(O)cc2C1 1642120319 KRAKRUUHMVRMTB-UHFFFAOYSA-N 275.436 4.501 30 10 CJEE C=CC1CCN(C[C@H](C)CSc2ccccc2C)CC1 1644617776 JFPFMXKLOWBABJ-HNNXBMFYSA-N 289.488 4.621 30 10 CJEE C=CCN(Cc1cccs1)Cc1cscc1Cl 1652084918 BEGYGJJVGHDEGC-UHFFFAOYSA-N 283.849 4.651 30 10 CJEE CO[C@@H](CSc1cccc(Cl)c1C#N)C1CCCC1 1652747837 UECIFECZMKVDCM-AWEZNQCLSA-N 295.835 4.509 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc2c(c1)CCCO2 1654296895 KCWJTRDPWBVWOF-HNNXBMFYSA-N 275.436 4.633 30 10 CJEE C=CCN(Cc1ncc(C(C)C)s1)CC1CCCCC1 1658569315 YYGICFBTTBZXOV-UHFFFAOYSA-N 292.492 4.835 30 10 CJEE C=CCCCCCN(C)Cc1ccsc1C(F)(F)F 1659099402 GEUAOBITUUJEIL-UHFFFAOYSA-N 291.382 4.945 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](CC)c1ccccc1 1665224323 VUNNINCNLZWJBA-UHOSZYNNSA-N 271.448 4.905 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCC[C@@H]1C=C 1681687100 WSQFUSVTWCLXOK-KRWDZBQOSA-N 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274.383 4.714 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@]12CC[C@](C)(CC1)OC2 2173644493 IITOUTWDGXWUEQ-FGTMMUONSA-N 275.436 4.836 30 10 CJEE N#Cc1cc(F)c(NC2C[C@H]3CCC[C@H](C2)C3)cc1Cl 2177392154 AAIRYMCLOCRNOZ-QWRGUYRKSA-N 292.785 4.731 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CCC=C1CC 2179168842 WSTLLOHXFYJUOK-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCC1(CC)CC(N(C)C[C@@H](C#N)C2CCCCC2)C1 2179353158 XAEWZAHRIGVIMJ-MRXNPFEDSA-N 276.468 4.607 30 10 CJEE C=CCCCC[C@H](NCCC)c1ccc(F)c(OC)c1 2179683624 WFAIPQHODKUSLO-INIZCTEOSA-N 279.399 4.621 30 10 CJEE CC1(C)CC=C(C(=O)c2ccccc2OC(F)F)CC1 2181648606 WPTYBTYXRIVEJG-UHFFFAOYSA-N 280.314 4.607 30 10 CJEE C=CC[C@@](C)(Nc1cccc(F)c1C(F)(F)F)C(F)F 2182189570 KDSSDSQKEQNVSO-GFCCVEGCSA-N 297.242 4.856 30 10 CJEE C#C[C@H](NC1CCC2(CCCCCC2)CC1)C(C)(C)C 2185758660 PMJPIHQMUKUZOC-KRWDZBQOSA-N 275.480 4.907 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1C[C@@H](N)C1(C)C 2186200233 IPILFSCIWOAUOJ-NVXWUHKLSA-N 281.484 4.850 30 10 CJEE C=CCC(C)(C)O[C@@]1(C(=O)O)CCC[C@H](CCC)CC1 2187196821 SWHPBTIXIDMNBY-YOEHRIQHSA-N 282.424 4.562 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)CC1CC2(CCC2)C1 2187476982 RLQXLVJQZQCPIV-KRWDZBQOSA-N 291.555 4.596 30 10 CJEE Cc1nc(OC2CC(CC(C)(C)C)C2)c(Cl)cc1C#N 2188324138 JMWYABQICYYGDV-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE CCCCCCCC[C@H](NC)[C@](C)(O)[C@@H]1CCC1(C)C 2188561283 QNCIHZCYVVXNCS-SOLBZPMBSA-N 283.500 4.512 30 10 CJEE C=CC1(CN[C@@H](C)C2CCC(F)(F)CC2)CCCCC1 2189516804 FVZMVOHPIUQYNL-AWEZNQCLSA-N 285.422 4.927 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2ccc(F)cc2Cl)CCC1 2189684744 MCWKAJRDXOGPQP-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE CC1(C)C[C@H]1CCC[C@]1(C#N)CCOC12CCCCC2 2190624871 AGISKORXHAHIGP-NVXWUHKLSA-N 275.436 4.836 30 10 CJEE C=C(COCCC)[C@H](NCCC)C1(C(C)(C)C)CCC1 2191981238 MRKIQCNKHTWWAI-INIZCTEOSA-N 281.484 4.554 30 10 CJEE CCCCCCC[C@H](O)C(=O)CC1CCC(CC)CC1 2193141278 SZDDXRVVXVYAFW-JCYILVPMSA-N 282.468 4.883 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@]2(CCCC2(C)C)CS1 2193724900 JMDZDDQEBLWNID-RHSMWYFYSA-N 296.524 4.987 30 10 CJEE CC#CCCC[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2194064582 CNDKMWUDXZMVFM-MWXXRFSMSA-N 274.448 4.538 30 10 CJEE CCCCCCCCC(=O)[C@H](O)[C@H]1CCCC2(CC2)C1 2194291462 DPORCAJABDGCFM-DOTOQJQBSA-N 280.452 4.637 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC2CC3(C2)C(F)(F)C32CC2)C1 2195065172 RXJBTJBMLGCPKM-ILTLLKDXSA-N 279.374 4.922 30 10 CJEE CC#CCCCCSc1ccc(CNC(C)(C)C)cc1 2196173115 YXUIISGQJDSGCC-UHFFFAOYSA-N 289.488 4.860 30 10 CJEE C#CC[C@@H](CN(C)C[C@H]1CC[C@H](CCC)CC1)C1CC1 2196751879 CTAWBRVEMWOJOL-LNLFQRSKSA-N 275.480 4.574 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 2196854178 MERIQHCFTHDBPQ-INDMIFKZSA-N 277.496 4.724 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)C1(C)CCCCC1)C1CC1 2196858334 ZGXKLWYJGIKPOE-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)C2CCCCCC2)C1 2197123067 AQOFKUFMHRUJMK-SOLBZPMBSA-N 276.468 4.750 30 10 CJEE CCCN(C1CCCCC1)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 2197160038 DYMVVMSNKLLGIL-JFIYKMOQSA-N 276.468 4.750 30 10 CJEE CCCCN(C[C@@H](CS)c1ccccc1)C1CCCC1 2197160622 KAPBMSCPQVGOGB-KRWDZBQOSA-N 291.504 4.745 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@]12CCOC2)NCCC 2198179134 HZRTUMNPAGNORP-KSZLIROESA-N 281.484 4.532 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@H]1C[C@@H]1C1CCCC1 2200137289 GFNABQWLCMLABQ-CHWSQXEVSA-N 292.785 4.589 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@@H]1C(C)(C)C 2200493226 QHDWIPBFTBADDM-VKJFTORMSA-N 282.468 4.739 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1cc(C)cc(C)c1C 2203068127 CKWNQCHCNLNDFV-KRWDZBQOSA-N 273.464 4.735 30 10 CJEE CC1(C)CC(COc2ccc(C#N)cc2)CC(C)(C)C1 2203136767 HITSTNYTRNMDSP-UHFFFAOYSA-N 271.404 4.790 30 10 CJEE CCCCCC#CCC(=O)[C@H](C)Oc1cccc(Cl)c1 2203880034 RACGZXSGCYXTCL-AWEZNQCLSA-N 292.806 4.650 30 10 CJEE C#C[C@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CCCC1 2204042294 AHGOCSBBYWRUBE-MSOLQXFVSA-N 273.464 4.661 30 10 CJEE C=CC1(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CCCCC1 2204628098 WJEUIDOPPGNHII-UHFFFAOYSA-N 294.782 4.857 30 10 CJEE C=CCCCCCCN1C[C@H](c2ccsc2)O[C@H](C)C1 2206896100 AMXCXSRMFOXURJ-NVXWUHKLSA-N 293.476 4.646 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@](O)(CC)C(C)C 2207393209 UYCIVHHUCIODLE-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H](C)S1 2207396322 LEXXJYCIRBYMIR-IXDOHACOSA-N 298.540 4.799 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H]1CC[C@H](C)O1)NC 2207408705 JOOUIAQFOOOJPE-RCCFBDPRSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCCC[C@H](N)C1C[C@H]2[C@H](C1)C2(F)F 2207433246 XXNNQVISMLDDBM-JYJNAYRXSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ccc(O)cc1F 2207437585 OLKZOFZCVZUMDK-QGZVFWFLSA-N 279.399 4.838 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1CCC[C@H](OC)C1 2207438066 RXLGAXVQXNRHIR-FGTMMUONSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1CCC12CCC2 2207439899 BZVBTSNCFYUJST-IAGOWNOFSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCCCC(=O)c1cn(CC)cn1 2207440217 YFNVRQYHMGJTTB-UHFFFAOYSA-N 276.424 4.783 30 10 CJEE C=CCCCCCCC[C@H](N)c1cscc1F 2214612959 ITCIRVQEQHDDOO-AWEZNQCLSA-N 255.402 4.804 30 10 CJEE C=CCCCCCCC[C@]1(N)CC[C@@H](C)SC1 2214623306 NLMAXQBTTGTXQX-CABCVRRESA-N 255.471 4.516 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]1C(F)(F)F 2217693298 HDPMMXWBQDFNLC-RWMBFGLXSA-N 265.363 4.666 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(F)C(C)(C)F 2220087708 SBLHARDNIKUHIW-UKRRQHHQSA-N 261.400 4.707 30 10 CJEE C=CCCCCCCCCCN(C)CC1(Cl)CC1 2222059369 YBBDYKCXTVHZJL-UHFFFAOYSA-N 271.876 4.996 30 10 CJEE C=C[C@H](N[C@H](C)c1cc(Cl)cc(Cl)c1)C1CCC1 2222133516 DSYFYGRKSVRGQR-BMIGLBTASA-N 284.230 4.999 30 10 CJEE CCCCCCCCCCOC[C@H](O)[C@@H](C)CC 2223236593 XLISKUSHULYBSK-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE CCCCCCCC[C@H](C)[C@H](CC)C(=O)OCC 2223776757 MSZPKBRAWUQSRX-GJZGRUSLSA-N 256.430 4.962 30 10 CJEE CCCCCCCC[C@H](C)NC(C1CC1)C1CC1 2223856323 BVPUBRYWGQCUAT-AWEZNQCLSA-N 251.458 4.904 30 10 CJEE C=CCC[C@@H](C)C(=O)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225284875 SEKVHCZUPSBZFU-SYQHCUMBSA-N 270.363 4.619 30 10 CJEE C=CCCCCCCCCOCC(=O)C(C)(C)CC 2225686543 BLJYIAZNYYPMRR-UHFFFAOYSA-N 268.441 4.925 30 10 CJEE CC[C@](C)(CCCC(C)C)OC[C@H](C#N)C(F)(F)F 2226042147 NVRQQNYXLMGSIG-QWHCGFSZSA-N 279.346 4.700 30 10 CJEE C=CCCCCCCCN[C@H](C1CCC1)C(F)(F)F 2227271016 JKFYRZVDQYMWFT-CQSZACIVSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)CCCCCC 2227275887 ZEDZXBOBBZBWDY-SJORKVTESA-N 269.473 4.562 30 10 CJEE C=CCCCCCCC[C@H]1CCC(F)(F)[C@@H]1NCC 2227284830 CJPRJNMJCDXUNF-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2cc(F)cc(Cl)c2)c1 2229678879 AYCLRCYJQYDDHH-NSHDSACASA-N 273.738 4.634 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H](O)[C@@H]1C 2231025330 CZMFVRCQGNJEFI-GVDBMIGSSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCCO[C@H]1C[C@@H](N)C[C@@H](C)C1 2231027006 UKKUTJYQXXQMTN-IXDOHACOSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(F)c(C)n1 2231092982 BIVXIAAMHHLXAL-HNNXBMFYSA-N 266.404 4.540 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)CC(C)(C)CC(F)(F)F 2231483003 IECFGVIJZRHMAH-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CCC[C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652001 FCINIRBEOUGKOC-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCO[C@@](C)(C(=O)O)[C@H](C)CC 2234035580 LGHVQRNNHAWFTH-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE C=CCCCCOCCC(CC)(CC)CNC1CCC1 2234047481 HOTHYIZZHQMLKS-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCO[C@H](CC)CNC1CCC1 2234057088 LYLPKBCPKWDZAO-GOSISDBHSA-N 281.484 4.840 30 10 CJEE CC(C)(C(=O)C#Cc1cccc(Cl)c1)C1CCCCC1 2239473314 IYHWVBJPYMZVBP-UHFFFAOYSA-N 288.818 4.867 30 10 CJEE CCCCCCCCCCCOCCCCC(=O)OC 2239499015 LIHMEMQDQUVSKX-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)C#Cc2ccc(C)cc2)CC1 2239727398 RQQNIGSVMGIXHK-SAABIXHNSA-N 268.400 4.522 30 10 CJEE CCCCCCCC[C@]1(O)CCc2c(OC)cccc21 2240142633 UTAMZWMVOTYQKZ-SFHVURJKSA-N 276.420 4.580 30 10 CJEE CCCCCCCC[C@]1(C)NC[C@H](c2ccccc2)O1 2240566853 WIKZWQQEAQOFQU-QZTJIDSGSA-N 275.436 4.814 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc2occc2c1 2241178392 QTJBUMNNQDJWIL-INIZCTEOSA-N 269.388 4.523 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cccc2ccoc12 2241185965 VQVLHTBHCYMKRR-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE C=CCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2243088073 KAHHSVUFVARLLV-AWEZNQCLSA-N 282.225 4.539 30 10 CJEE C=CCC[C@H](C)Nc1cc(F)cc(Br)c1C 2244839785 BDWKDJUYQMFCQM-VIFPVBQESA-N 286.188 4.663 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(SC)s1 2250155374 CTDUCUBPFLXOBA-LBPRGKRZSA-N 269.479 4.867 30 10 CJEE C=C(C)CCCC[C@H](O)C(F)(F)C1CCCCC1 2259198769 LXFTUBUOSSLUTF-AWEZNQCLSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1NCC 2259210739 IPYCZTHLLIAOKN-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)CCCOC1 2259621979 QOXHTMDUYSBHIX-CVEARBPZSA-N 251.414 4.549 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1sc(C(F)(F)F)cc1C 2263314828 SJWJPNJKDRWNGP-KWQFWETISA-N 277.355 4.677 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1ccc2ccsc2c1 2263967191 YVEUTYHTAKDINU-DOMZBBRYSA-N 259.418 4.764 30 10 CJEE CCC[C@@H](CS)CN(C)CC[C@@H]1CCCCC12CC2 2264865521 QVHZNOJGUSVZHV-CVEARBPZSA-N 283.525 4.625 30 10 CJEE O=C[C@@]1(CC[C@@H]2CCCCC23CC3)CCC12CCC2 2264932375 SAEMWJXCDYIZOR-MAUKXSAKSA-N 260.421 4.886 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@H]1CCCC12CC2)NCCC 2266595271 PBWWNHFMPVPQRL-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1C[C@@]1(C)COC 2269236025 LINSCIHMBOHYJE-RDJZCZTQSA-N 268.441 4.759 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 2271799791 VQZXOFXSQAVODT-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCCCCOC)C1 2271917720 AFYYJDSJABOIED-BZUAXINKSA-N 283.481 4.645 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC1CC2(CC(C)C2)C1 2272187856 IFXHGKNRFSVAOS-PXUJOYAKSA-N 261.453 4.537 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(SC(F)(F)F)cc1 2273030155 DCNGAMVRMLJMCL-LLVKDONJSA-N 289.366 4.600 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCCC[C@@H]1CC2)NN 2273411491 AMXPVKIGGSRUGX-ZACQAIPSSA-N 266.473 4.539 30 10 CJEE CCCCCCCC[C@@H](CCCCF)OCCCN 2276209941 ICIQOCPTKMXHJM-INIZCTEOSA-N 275.452 4.611 30 10 CJEE C=CCCCCC[C@](C)(OCCN)[C@H](C)CC(C)C 2277004161 FDMNJUQDQXXGIN-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2scnc2c1 2278671374 CLNRFPKJACUORT-CQSZACIVSA-N 276.449 4.917 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NC)c1sc(C)c(C)c1C 2280028792 QRNLOIOEMCWBCO-HZPDHXFCSA-N 297.508 4.655 30 10 CJEE N#Cc1cccc(F)c1NCc1ccc2sccc2c1 2280476135 KFZHQTMGJXAPPK-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE CCCc1ccc([C@@H](C#N)Nc2ccc(C)cc2)cc1 2283520720 FOVFWSVKBKMCND-GOSISDBHSA-N 264.372 4.624 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(C)ccc1Cl 2284112536 NMADGDQUUJJQJS-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE CC[C@@H](CC(F)(F)F)[C@@H](CC=CC#CC(C)(C)C)NC 2284160717 WOMAJUKRSKXSNS-UONOGXRCSA-N 289.385 4.549 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@@]1(C)COC 2284681588 FNSQINRBQBJOAT-ROUUACIJSA-N 281.484 4.555 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@]1(C)COC 2284687634 AAEYELVXXGQCEY-FGTMMUONSA-N 283.500 4.778 30 10 CJEE C=C1CC(CNCC(C)C)(CC2CC3(CC(C)C3)C2)C1 2287791979 MYOBGJYNIAJWCW-UHFFFAOYSA-N 275.480 4.785 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1CCCCC1 2292643699 ZQMOVKYHHQTMJF-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)C1(C)CCCC1 2292883132 VAVDLBVEWGSRAI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H](C)C1CCC1 2293462551 DXTHIPHIETUVSN-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CC(C)=C[C@@H](C)C1 2293667280 NUAIAVLDUZFDIQ-NJAFHUGGSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H]1CC12CCCC2 2293681582 APKJVWDDTLGTMG-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1C[C@H]2CC[C@H]1C2 2294355266 IXWLUVRXNFMGCX-XSLAGTTESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1CC(F)(F)C1 2294455384 KHTVYBZIEKSCCN-HNNXBMFYSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)C=C(C)CC1 2294463944 KNSHAVICTFCEKJ-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cn(C(F)F)cn1 2295581335 PKTVHTAIAXSJDM-OAHLLOKOSA-N 287.398 4.593 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CC(C)C)NCC 2295677901 DXPWEYCPCPXRHE-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@](C)(C[C@@H]1C[C@H]1C)OCCN 2295687396 UBWNSHJIPHPHQU-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1cccc(F)c1 2307228997 CKXRNHHOMGTBMH-CQSZACIVSA-N 272.454 4.900 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCC 2308144887 LGXUVULCEMNGQR-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@@H]2CC[C@H]1C2 2312898334 HFNWQAGBBDZMPH-QZWWFDLISA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCC[C@@H]1NCCC 2313531779 NMTRZYMEYISPTA-HRCADAONSA-N 269.498 4.775 30 10 CJEE CCCCCCCC[C@@H](O)c1cnccc1SC 2315028884 GACPKMXFMZALQJ-CQSZACIVSA-N 267.438 4.588 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H](CC(C)C)C(C)C 2316745069 UQJACCMKPKFRQL-IAGOWNOFSA-N 251.458 4.661 30 10 CJEE Cc1c(F)ccc(C[C@]2(C#N)CCC[C@@H]2C)c1Cl 2317100194 UOIXHNRHRAGONB-BONVTDFDSA-N 265.759 4.660 30 10 CJEE CCCCCCCCC=C1CC(N)(C(F)(F)F)C1 2318027284 CCQQNEOSKHSBCP-UHFFFAOYSA-N 263.347 4.717 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NC)c(C)c1C 2318560796 QNJJSQSADJOQDI-SMDDNHRTSA-N 263.450 4.641 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CCC[C@H]1C(F)F 2321141755 QGQGORVMMLCELO-ZOWXZIJZSA-N 258.352 4.619 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)c(C)c1F 2321228134 KPRVLARSXYXPLZ-LSDHHAIUSA-N 270.775 4.813 30 10 CJEE C=C[C@H]1CCCCN1C[C@@H]1C[C@H]1C1CCCCCC1 2332858235 SSKPQWRGRBQHQL-BZSNNMDCSA-N 261.453 4.633 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12 2333364764 RHGYCVLYKPFBJQ-MHORFTMASA-N 261.453 4.633 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCCC2)CC[C@H]1NC 2335096365 MBFALELWWSYQJO-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1ccc(CC)cc1 2335103128 HKNGYDYOTJXNMM-WMLDXEAASA-N 277.477 4.597 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1ccc(CC(C)C)cc1 2335103371 KXHYYQFYBBTTOE-PBHICJAKSA-N 277.477 4.583 30 10 CJEE C=C1CCC(CN(C)C(CC2CC2)CC2CC2)CC1 2337072054 BGHAVDPFOTZUME-UHFFFAOYSA-N 261.453 4.633 30 10 CJEE C#CCCN(CC=C(C)CCCC(C)C)C1CCC1 2338462669 RWKUMQNSVYELQY-UHFFFAOYSA-N 261.453 4.637 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](CC)C[C@@H](NCCC)C1 2338658917 AEECTHZNZMIRFK-KBAYOESNSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CC[C@H](CC)CC1 2338739415 VSCYDLHXUWUPIP-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE CCCCCCC[C@H](NC)c1ncccc1C(C)C 2340241616 ICVYRFGUELTFQO-INIZCTEOSA-N 262.441 4.826 30 10 CJEE C=CCCCCCCCCCOC[C@@H](NC)C(C)C 2341353587 FOOJFLZVEUQAIX-QGZVFWFLSA-N 269.473 4.554 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCC[C@@H]1C[C@H]1C 2341500476 XUMYLLQFDKOMRZ-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=C(CS)CO[C@H](CC)c1ccc(C(F)(F)F)cc1 2343729080 FXUFUHXVFRNNAD-CYBMUJFWSA-N 290.350 4.659 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C(F)(F)F)CCC1)NC 2344339170 GVPBCXKHUJZKCL-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(C(F)F)c1F 2344420779 NWJYAPBAVQHJTL-OAHLLOKOSA-N 270.294 4.938 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCC12CCCC2 2352318474 RPAMQRGYDWQIEM-GDBMZVCRSA-N 283.525 4.623 30 10 CJEE C#CC[C@H](C[C@H](N)c1c(Cl)cc(C)cc1Cl)C1CC1 2353056020 DEQFVKJIQGJTJU-DOMZBBRYSA-N 296.241 4.741 30 10 CJEE N#C[C@@]1(CC2CCC(CC(F)(F)F)CC2)CCCS1 2353170790 YWDOAXKNVUWQNK-BPCQOVAHSA-N 291.382 4.925 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@@H]1C[C@@H]2CCO[C@@H]21 2358108136 DONDUYBGDZKDJH-XWTMOSNGSA-N 282.468 4.693 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@]1(C)CC[C@H](N)C1 2358323609 RKEUZTZFZLOLAH-KSZLIROESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NN 2358665637 JPTIXRKVYAFGDO-BRSBDYLESA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)C[C@@H]1CCC[C@H]1C 2358948279 SLHFMVJGKSAKJZ-XMTFNYHQSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359126728 PBRHQUWVSUVPNW-XMTFNYHQSA-N 281.484 4.660 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1CCC 2360138841 TXABLFITBSKYEW-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)SC[C@@H](NC)c1ccc(CC(C)C)cc1 2360324123 NLWRQFIXHRNQPP-MAUKXSAKSA-N 291.504 4.843 30 10 CJEE C=CCOc1ccccc1CN[C@H](C)CCCC(C)C 34991175 NUBLGAGGHASLKV-MRXNPFEDSA-N 275.436 4.556 30 10 CJEE CC(C)c1ccc(S[C@@H]2CCCC[C@@H]2C#N)cc1 37154719 VZGQZDBBFRZARQ-GDBMZVCRSA-N 259.418 4.984 30 10 CJEE N#C[C@H](C(=O)CCCc1ccccc1)c1ccccc1Cl 44268917 OZCJYAGAGUBDDC-INIZCTEOSA-N 297.785 4.539 30 10 CJEE CC(C)c1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 54823636 RSZZIOGALYQNKU-RDJZCZTQSA-N 256.393 4.694 30 10 CJEE CCCCCCCCCN(CC)c1ccc(CN)cc1 59178598 NAGHCVYBBRCAPI-UHFFFAOYSA-N 276.468 4.722 30 10 CJEE N#Cc1cc(Sc2cc(F)ccc2F)nc2ccccc12 68796794 IWMJZMCQQMJGEP-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE C=C(C)Cn1c([C@H](N)CCC)nc2cc(C(C)C)ccc21 74297000 KGOZSMLRUDGAMV-OAHLLOKOSA-N 285.435 4.536 30 10 CJEE N#C[C@H](CSc1nc2ccccc2s1)c1ccccc1 80800545 HJOFCMQZPIBTAT-CYBMUJFWSA-N 296.420 4.696 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2ccccc2F)CC1 86949228 TXZHJTHWXZWVRK-WMLDXEAASA-N 274.383 4.880 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2c(F)cccc2Cl)C1 87930311 GFZRPCNMXYHAJR-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCc3ccccc3C2)s1 87998371 WFGVSTLLOQLGQC-SFHVURJKSA-N 281.424 4.552 30 10 CJEE CCC(C#N)(CC)Sc1ccccc1Br 90246242 UXBSPFXQSHXDBZ-UHFFFAOYSA-N 284.222 4.624 30 10 CJEE CC[C@](O)(C(C)C)C1(C#N)CCC(C(C)(C)C)CC1 91878491 OOCVLGWHFVFRAL-PREGVCBESA-N 265.441 4.530 30 10 CJEE Cc1cc(OCC[C@@H](C)CCS)ccc1C(C)C 94582773 LUOKWBBKYHOABZ-CYBMUJFWSA-N 266.450 4.843 30 10 CJEE C[C@@H]1CC(OCCCCCCCCCS)C[C@@H](C)O1 97799876 AORAJKBYDRWZKU-HUUCEWRRSA-N 288.497 4.620 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N/C(=O)c1cccc(Cl)c1)C2 100845606 PFNYOUISAXYRQC-MOMDUKOGSA-N 289.806 4.767 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OC)c(Cl)c1 107535805 SUNUJCUYNWWQNQ-VXGBXAGGSA-N 250.769 4.502 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1c(C)c(Cl)cc(C)c1OC 107648935 SULRFPJCBDSBEV-PWSUYJOCSA-N 264.796 4.728 30 10 CJEE Cc1ccc(C(=O)/C=C/Nc2ccc(Cl)cc2F)cc1 108740054 UGTTZIKZYFMBDP-CMDGGOBGSA-N 289.737 4.596 30 10 CJEE CCCCCCCCCOC(=O)c1ccc(Cl)cc1N 109895430 UOCKQQNACPKEGF-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCC(C#N)(CCC)c1c(F)cccc1Cl 110387041 HOSTVLULJWHZLU-UHFFFAOYSA-N 253.748 4.841 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1)C(C)(C)C 111650389 FYLJAOOMZQZGLO-SMDDNHRTSA-N 277.795 4.589 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(CC)N1CCCCC1 118164543 LFYSUYNFUBMXAZ-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1ccc(C)cc1 118654364 KHSTXNMUHJXKHK-MRXNPFEDSA-N 262.393 4.914 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(F)c(Cl)c1 126215648 RTJZJLASDBRBBT-OAHLLOKOSA-N 286.822 4.734 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CC[C@H](C)C1 126811199 VHMXXWVCVLMZQH-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCNC[C@H](O)c1cccc(F)c1 129366428 KRCDWINIVBQXPN-SFHVURJKSA-N 295.442 4.589 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](CC)CCCC 130335668 RXQFIMWVFKDGNQ-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCC(C)(C)C[C@H]1C 131737634 DZVREZGDWWQMBZ-ABAIWWIYSA-N 274.383 4.633 30 10 CJEE C#CCC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC(C)C 133190674 ZYYFWTJONCPCDM-OKZBNKHCSA-N 277.496 4.724 30 10 CJEE CCCCCCCC[C@@H](O)CCCC(F)(F)F 134151583 PHNGOIJCDUXHDG-GFCCVEGCSA-N 254.336 4.831 30 10 CJEE Cc1ccccc1[C@H](N[C@H](C)c1ccc(C#N)s1)C(C)C 134932361 DRLVVWRQRBRYCP-RDTXWAMCSA-N 298.455 4.976 30 10 CJEE CCCCCCCCCCNC1=NCC(C)(C)CS1 135136322 BVYACVXMNWXDHE-UHFFFAOYSA-N 284.513 4.846 30 10 CJEE CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccco1 158334689 YPFGXWGOSKTCFG-LBPRGKRZSA-N 294.276 4.733 30 10 CJEE CCCCCCC[C@@H](NC)c1cnc2ccsc2c1 163575012 YDQXRIBJSSGYAY-CQSZACIVSA-N 276.449 4.917 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc2ccccc2c1 164565222 OOOCKOMWHONNJE-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CC#CCC[C@H](CSc1ccc(Cl)cc1)NCCC 168177014 VUZYXDYANXPFFK-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE C=CCCC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 168806348 ZAJQDBCUGBEESN-LJQANCHMSA-N 266.384 4.917 30 10 CJEE CCCCCCC#CC[C@@H]1CCCN1C(=O)OC(C)(C)C 205228269 CYKDOXQAMRJWCQ-MRXNPFEDSA-N 293.451 4.750 30 10 CJEE CCCCC1CCC(c2nc(C#N)c3ccccn23)CC1 213357469 DAXBFSGBZUDPQQ-UHFFFAOYSA-N 281.403 4.670 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCC[C@H]2C(C)C)c1 214739147 XLCNUJLSWHXYNL-IRXDYDNUSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(N)CCC[C@@H](C)C1 226462967 ANMRESKZAHBOJD-NVXWUHKLSA-N 267.457 4.604 30 10 CJEE CC(C)(C)[C@H]1CCCN(C[C@H](CS)C(C)(C)C)CC1 227273105 YTSKANDAGMQIMY-LSDHHAIUSA-N 285.541 4.727 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2cccnc12 228944401 FFLIIOPGRZOLRF-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE C=CCSCCN[C@@H](C)c1cc(Cl)sc1Cl 231931359 CCCBPOXGNXXBFD-QMMMGPOBSA-N 296.288 4.625 30 10 CJEE CC(C)CCN(CCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C#N 232551570 MNTOAAHHROADBT-KZNAEPCWSA-N 278.484 4.709 30 10 CJEE CCCCCCCCCCNCCc1nc(C)cs1 232945765 RNGAJYYNFRKNQW-UHFFFAOYSA-N 282.497 4.724 30 10 CJEE CCCCCCCCCc1cccc2c1CCNC2 232958318 HCWGZLUNOCPDRF-UHFFFAOYSA-N 259.437 4.625 30 10 CJEE C=CCCCCC[C@H](NC)c1ccccc1SC 234442607 FTRJKAODGWSCRH-HNNXBMFYSA-N 263.450 4.806 30 10 CJEE Cc1cc(Cl)ccc1CNc1ccc(Cl)c(C#N)c1 235799067 XCNYOVGPLMHXNE-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE O=C(CSC1CCCCC1)C1=CCCCCCC1 236399322 ZBUACZJCKWGSRL-UHFFFAOYSA-N 266.450 4.902 30 10 CJEE Cc1ccc(N=C/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 252629412 UFHNXMJRKANILJ-ZRSOARAGSA-N 280.327 4.627 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 252898255 FOPVZXWCPRGJOS-ATIWLJMLSA-N 283.500 4.775 30 10 CJEE CC(=Nc1ccccc1)c1cccc(Br)c1 256164799 GWVSMBGSVIIUKI-UHFFFAOYSA-N 274.161 4.590 30 10 CJEE N#CC1(c2ccc3sc(C4CC4)nc3c2)CCCC1 260709064 XBQSRBOYUDCMSZ-UHFFFAOYSA-N 268.385 4.509 30 10 CJEE C=CCCCCC[C@H](N)c1c(C)cccc1Br 310476179 KGEXXQUIODROHW-AWEZNQCLSA-N 296.252 4.894 30 10 CJEE C=CCCCCCN1CCC(Cc2ccccc2)CC1 312284902 KRMYXOPFUMVRCI-UHFFFAOYSA-N 271.448 4.688 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccsc1Cl 312757253 JJOXKQANFVZIBW-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCCCOCc1nc(Cl)cc(Cl)n1 313381486 BTZGBYMUSJQHOZ-UHFFFAOYSA-N 291.222 4.661 30 10 CJEE C=CCCCC1(CNC(C)C)CCC(C)(C)CC1 318048645 JXLHGXFBNMMPCZ-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccnn1C(C)C 379898936 ATVMZWFQGUXXRA-INIZCTEOSA-N 279.472 4.865 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC[C@H](CO)C1 380183379 CUTGBNIGASOYBO-MSOLQXFVSA-N 283.500 4.515 30 10 CJEE C[C@H]1CCC[C@H](SCCCB2OC(C)(C)C(C)(C)O2)C1 382074296 TWESFNNWKABKSF-KBPBESRZSA-N 298.301 4.781 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)(F)F)cc1C#N 383826298 IPORYEVEBKXBKA-UHFFFAOYSA-N 282.309 4.591 30 10 CJEE C#C[C@@](C)(CC)NC(=O)CCCCCCCCCCC 384186909 SUUVYFARSUXMCC-SFHVURJKSA-N 279.468 4.825 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2ccc(F)cc2)o1 393772749 BZLKDLCSRILDPL-HNNXBMFYSA-N 273.351 4.530 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CO)[C@H]1C 395231252 ZYMHMTLLXCTCAA-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE CC(C)[C@H](NC[C@@H](C#N)C1CCCCC1)c1cccs1 397201306 QEZBJZVLEPAOMR-WBVHZDCISA-N 290.476 4.755 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(F)c(Cl)cc1[N+](=O)[O-] 398050695 DFKIWGONVDHCAC-SECBINFHSA-N 286.734 4.544 30 10 CJEE C=CC(C)(C)CO[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC 403912822 PKVMIIQEQZWKTO-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C=CCC[C@@H](CC)NCc1cccc(-c2cccnc2)c1 467638097 DMVFAEAXYRGOAC-LJQANCHMSA-N 280.415 4.583 30 10 CJEE N#CCc1cc(-c2cc(Cl)c(Cl)cc2Cl)ccn1 514264104 PBXRXEHRQSOPNV-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@H](O)[C@H](c1ccccc1)[C@@H](C)CC 686685668 LEKONOXABVIJRE-WDSOQIARSA-N 272.432 4.761 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(C)c(C)c1 686689348 HOJJQDNLPFFGGH-GOSISDBHSA-N 257.421 4.538 30 10 CJEE C#CCCCCC[C@H](NCCC)c1sccc1CC 686701770 PZLVCKWOFNTMCD-INIZCTEOSA-N 277.477 4.935 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1C2CC3CC(C2)CC1C3 692221794 SGCFQDCLAWNAES-OEOKKZFJSA-N 273.464 4.536 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccccc1SC(F)F 695837008 PMAWUAGJHGTFMM-JTQLQIEISA-N 284.375 4.742 30 10 CJEE CCCCCCCCNCc1ccc(Cl)c(OC)c1 703704107 WXWPUWRNQWGEAA-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1nc2ccccc2s1 703956088 XVYGIJGRZPWWTB-CYBMUJFWSA-N 288.460 4.939 30 10 CJEE SCCCCCCCCCN1CCC[C@H]1C1CC1 706681959 ANZMAINOBCKYGU-INIZCTEOSA-N 269.498 4.521 30 10 CJEE Cc1cc(Nc2ccccc2C#N)cc(C)c1Cl 709681621 KVKMPQXLIOFLBW-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 710589248 GIDPNVUQAAWQPK-FPCVCCKLSA-N 269.860 4.714 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Nc2ccc(C)c(Cl)c2)C1 710742576 VFRLZQLXGGYWGN-XOKHGSTOSA-N 293.838 4.556 30 10 CJEE 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HOTSSMXKOLDRPA-INIZCTEOSA-N 262.393 4.635 30 10 CJEE CC(C)CCn1nc(C#N)cc1-c1ccc2ccccc2c1 76844500 FNYRCWHRUFQSDY-UHFFFAOYSA-N 289.382 4.621 30 10 CJEE C=C(C)CN1C[C@H](CC)Nc2cc(Cl)c(Cl)cc21 76930223 WPSIQTDDURYLCJ-JTQLQIEISA-N 285.218 4.580 30 10 CJEE CCCc1oc(-c2ccc(Cl)s2)cc1CC#N 77082353 DISYKMROEHPYFA-UHFFFAOYSA-N 265.765 4.680 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@@H](C#N)c2ccccc2)C1 80800913 VVYKAHFXPIFFJG-BMFZPTHFSA-N 259.418 4.606 30 10 CJEE C[C@@H]1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)C1 84978430 KWRVKKQBRUSHCI-QWRGUYRKSA-N 296.336 4.814 30 10 CJEE CCCC/C=C(\C(=O)CC)[C@@H](O)c1ccc2ccccc2c1 90416540 LPUSNKZZTNSFDL-OBXYEHHASA-N 296.410 4.969 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)[C@@H](C)c2ccccc2)CC1 91884774 KABBADNSZWVFQY-MEWCUZTCSA-N 285.431 4.507 30 10 CJEE CC1(C)C(CNc2ccc(C(F)(F)F)cc2C#N)C1(C)C 92818589 YIQPWMZXXHCETJ-UHFFFAOYSA-N 296.336 4.671 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)c2ccccc2n1 97816852 HGFZHQUFAMAIAS-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(F)c(F)c1 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BLSLSVGXBJXTNW-SFHVURJKSA-N 288.479 4.691 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1c(Cl)cnn1C 129595723 GYHLXWGNLPHCBS-OAHLLOKOSA-N 299.890 4.865 30 10 CJEE CCCCCCCCCCOc1ccc(F)nc1 135329471 CIVKHUAFNKEBPU-UHFFFAOYSA-N 253.361 4.740 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(C)nnc1C 143450261 JUERCBJOJCJPRZ-KRWDZBQOSA-N 277.456 4.624 30 10 CJEE CCCCCCCOc1cc(F)cc(CNCC(C)C)c1 157485854 VDWHOVCSYYFHPF-UHFFFAOYSA-N 295.442 4.921 30 10 CJEE CCCCCCC[C@@H](NCC)C(CC)(CC)OC 158410380 KZFLERUMPMWNCZ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C)CC[C@H]1CNCC(C)C 164932976 GEFLTGHKHADRBG-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCC[C@H](N)C1 169135208 KIDQODPOCFWLCY-CVEARBPZSA-N 267.457 4.604 30 10 CJEE C[C@@H](CCCC(F)(F)F)Nc1ccc(C#N)cc1Cl 235071724 HQUXAUTUOXCUDG-VIFPVBQESA-N 290.716 4.745 30 10 CJEE N#Cc1cc(F)cc(CSCc2ccccc2Cl)c1 236163272 UKLKAZSXRQPNBO-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE N#Cc1sccc1-c1cccc(Cl)c1Cl 238550029 WTJXZYONUQGFKT-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252423914 CNRRSCLRYUEOOV-DVOMOZLQSA-N 288.822 4.982 30 10 CJEE CCCS[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252435835 LPXISHODBVGQRW-OWCLPIDISA-N 259.418 4.606 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@H]2CSc3ccccc32)C1 252633834 DHHBAYIMAJBULS-WWGRRREGSA-N 257.402 4.596 30 10 CJEE N#Cc1cccc(-c2csc([C@H]3C[C@H]4CC[C@H]3C4)n2)c1 252833180 ZNCSQJWJKUTQAS-WHOFXGATSA-N 280.396 4.585 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21 252895091 AANWTCQKMKJXHT-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE CC(=NOCCCC(C)(C)C#N)c1cc2ccccc2o1 255295649 LPSGCKAJXSSLMR-UHFFFAOYSA-N 284.359 4.503 30 10 CJEE CCC(=NO)c1ccccc1OCc1ccc(Cl)s1 310715945 LZSBRSYLHPIUEH-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE CCCCCCCCCCCC(=O)C1=COCC1 310858375 KATVGUKMRWQFMM-UHFFFAOYSA-N 252.398 4.781 30 10 CJEE C=C([C@@H](NCC)c1csc2ccccc12)C(F)(F)F 311547642 VIMUCSHWAKLJRH-CYBMUJFWSA-N 285.334 4.670 30 10 CJEE C#C[C@H](N[C@H](c1ccccc1)C1CCCCC1)C(C)C 312153088 BJCVOAWUYVKPDV-RBUKOAKNSA-N 269.432 4.555 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCC3(CCCC3)O2)CC1 317078312 CLMLESCIHNTBKA-AQFXKWCLSA-N 278.436 4.654 30 10 CJEE CCCCCCCCOc1cc(C)c(N)cc1Cl 380675149 NPBIEQJSLNRHFF-UHFFFAOYSA-N 269.816 4.970 30 10 CJEE SCCCCCCCCCN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 380744630 MBUMAVKEDXVKIW-WNRNVDISSA-N 295.536 4.625 30 10 CJEE CC1(C)CCC[C@](C#N)(CCC2CCCCC2)C1=O 381724540 KLCUEHMDHSZYHL-QGZVFWFLSA-N 261.409 4.636 30 10 CJEE CCCCCCCCCCNCc1oc(C)nc1C 389146506 UOEZOUMMTLAECC-UHFFFAOYSA-N 266.429 4.522 30 10 CJEE C=C[C@](C)(CNCCC)C[C@H](CC)CC(F)(F)F 402560638 JTKGXPYDGBIZIB-STQMWFEESA-N 265.363 4.547 30 10 CJEE C=CCCCO[C@H]1CCCCCCCCCC[C@H]1N 403477404 TURDRVMZJSVYJL-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCCC[C@@](C)(CNC(C)(C)C)c1ccccc1 405695854 XQDIOUWOYBTWDJ-SFHVURJKSA-N 259.437 4.689 30 10 CJEE C=CCCc1ccccc1NC(=O)c1sccc1C1CC1 410360848 BTJUATFGOBOMAU-UHFFFAOYSA-N 297.423 4.996 30 10 CJEE C=C(C)CCSCC(=O)Nc1ccccc1C(C)(C)C 507877781 WVNCYQAOOLGSRZ-UHFFFAOYSA-N 291.460 4.622 30 10 CJEE C=CCC[C@@H](CCC)[C@H](OC(=N)O)c1ccccc1 585665326 KVQBYLNYGNIXHV-HIFRSBDPSA-N 261.365 4.620 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(C)CCOC1 687395900 WOWSCUNMFDNDOH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](N)CCCOC(C)C 689548328 WLCXOWTVZDIJGS-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE CCSc1cccc(N=C2N[C@H](CC)[C@H](CC)S2)c1 690080192 XMEQPRAJZMUHQW-KGLIPLIRSA-N 294.489 4.680 30 10 CJEE N#Cc1cc(N[C@@H]2C=CCCCCC2)ccc1Cl 690181405 NKETZQXHCUZEEO-CYBMUJFWSA-N 260.768 4.512 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(Br)c(C#N)c1 690182374 YPJTUSSWTXTJNW-GFCCVEGCSA-N 295.224 4.701 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1cccc(F)c1C#N 691180977 WIQRRTSVVICUNG-BBRMVZONSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCc2cc(F)ccc21 692215303 OSAQUZFXQYPOMF-BVGQSLNGSA-N 273.395 4.538 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 692316648 ZMLSUIYQTMEXAY-GXSJLCMTSA-N 288.193 4.585 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]12CCCC[C@@H]1C2 693558420 MVFZNTAESZSLDX-BBWFWOEESA-N 251.458 4.905 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CCC1(C)C 694227275 KDQQWGDZLAWANI-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H]1CCC1(C)C 694299193 QXNCLHOWCQCQJJ-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE C=C(C)C[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 695060148 BYKNJADTMCOIIT-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 701919139 IFUWUJCKZIYGPL-LBPRGKRZSA-N 285.353 4.958 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)C(F)(F)F 702930758 BODRKGFYECDVLJ-GFCCVEGCSA-N 275.339 4.718 30 10 CJEE CC1(C)C[C@H](CC2(C#N)CCCCCC2)C(C)(C)O1 711322340 LFOQFSATXDIMKV-CQSZACIVSA-N 263.425 4.834 30 10 CJEE CCCC(CS)(CCC)CN1CCc2ccsc2C1 711837406 WCAVRVSIXFENAR-UHFFFAOYSA-N 297.533 4.623 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)[C@@H]1CCCCO1 711858314 MFSAOXNAYDMOJE-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NCC 712938171 ATWMBHJECPUQSP-ZACQAIPSSA-N 251.458 4.761 30 10 CJEE CC1(C)CCC[C@H]1C/N=C1/NC2(CCCCCC2)CS1 713257246 WEHTTXCGSIQVHL-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE C=CC[C@H](C)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 715058322 OKHWLNMQEBFFEF-IINYFYTJSA-N 273.203 4.803 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1Cl 715800680 TWHHJORGRFODRU-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc2ccccc12 715816758 ZOTWVNHVRXHVNP-KDOFPFPSSA-N 253.389 4.703 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)C[C@H](C)CO1 718548981 FTHKGPBJSPGMDD-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CC3CCC2CC3)CC1 724605544 MZYFRCHSVAFHBA-SYNTWQANSA-N 261.453 4.537 30 10 CJEE C#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1 809601926 FSCJEVMJLUQZLD-IBGZPJMESA-N 295.813 4.562 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CCC)cc1 1130903825 AGADSPMCRGDJOT-FUHWJXTLSA-N 285.431 4.504 30 10 CJEE C=CC[C@H](C)SCc1ccc(C(F)(F)F)cc1 1166130085 CHFHOHCHYBGXMP-JTQLQIEISA-N 260.324 4.903 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc(-n2ccnc2)c1 1180301679 PPVUYVRJHMIEBM-INIZCTEOSA-N 283.419 4.809 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2oc3ccc(F)cc3c2C)C1 1200673277 YVBUZIJFXBRDKR-UKRRQHHQSA-N 287.378 4.715 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1[C@@H](C)CCC 1254022142 PXKUDBCGIMKHEQ-JKSUJKDBSA-N 294.483 4.589 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H]2CC[C@H](CC)CC2)CCCC1(C)C 1270793033 NQDDADZBNRASQK-BRWVUGGUSA-N 291.479 4.796 30 10 CJEE C=CCC1(C(=O)NC[C@H]2CCC=CCCC2)CCCCC1 1289651157 FNAVJGSULXMTBF-KRWDZBQOSA-N 289.463 4.766 30 10 CJEE C=CCCC1(CNC[C@H]2CCCC[C@@H]2C)CCCC1 1308463967 PKOJRPYECVZEFV-DLBZAZTESA-N 263.469 4.929 30 10 CJEE C=CCCC1(CNC(=O)N(CC(C)C)C(C)C)CCCC1 1313004013 OLZFEQPUCYHWQK-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=C1CCC(C(=O)Nc2sc3c(c2C)CCCC3)CC1 1360827985 FBMUAMJSVUZITG-UHFFFAOYSA-N 289.444 4.620 30 10 CJEE C=CCC1(C(=O)NCc2cccc3ccccc23)CCCC1 1435089573 YMSIWCVIKCOUKI-UHFFFAOYSA-N 293.410 4.593 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1 1458138404 ZFEIZSMLKZVSLO-CLHDZIPGSA-N 297.442 4.947 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](CC)c1cc(C)ccc1OC 1458278172 DDVTUZMETZJYRZ-HNNXBMFYSA-N 290.403 4.600 30 10 CJEE C=CCCCCNCc1ccc(F)c(Cl)c1Cl 1461456475 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C=CCCCCCC[C@]1(OCCN)CCCC(C)(C)C1 2294015904 RIPWAUCVLMMSDC-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC[C@@H]1C)OCCN 2294146293 USZPFIAETUHJDR-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCCCC[C@H]1CC 2294403358 PUDKYDHGPDFOCG-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCCC1(OCCN)CC2(CC2)C1 2294560547 XMKWWFPQNYLGOS-UHFFFAOYSA-N 281.484 4.805 30 10 CJEE CC(=NC[C@@H](C)N=C(C)c1cccs1)c1cccs1 2294953966 PQWMSOFECDVPSP-LLVKDONJSA-N 290.457 4.516 30 10 CJEE Cc1ccc(CCOCC2(CS)CCCCCC2)cc1 2295167545 ROPZUAWKIGOVEQ-UHFFFAOYSA-N 292.488 4.825 30 10 CJEE CCCCCCCCC[C@](C)(CN)NC1CCCCC1 2295521354 ANPOILKUTSPABV-GOSISDBHSA-N 282.516 4.767 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(CN)CCC[C@@H]1C 2295590339 SHEVFOLWORUVCH-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@H]1CC 2295595714 BTWIQPSCCNJOKP-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@H]2CC[C@H](C1)O2 2295678046 WVWULGPGJCTEHZ-XLAORIBOSA-N 281.484 4.815 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@]2(C)CCO[C@@H]12 2295678729 JCRHHBICVVSFLK-MHORFTMASA-N 281.484 4.673 30 10 CJEE C=C(C)C[C@@](C)(CCCCCCCCC)OCC(=O)O 2295679958 UXHBNYKQOYPBJX-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE [N-]=[N+]=Nc1ccc(Cl)c(Br)c1Cl 2297005307 RAEOZXMDXNDEEV-UHFFFAOYSA-N 266.913 4.698 30 10 CJEE CCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2301929088 RXKIARSXIPHGMG-SNVBAGLBSA-N 275.845 4.770 30 10 CJEE CCC[C@@H](CC)COC[C@](C)(CS)C(C)(C)C 2307924831 ZVPBFZJGFXCAAV-UKRRQHHQSA-N 260.487 4.812 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCC[C@@H]2C[C@@H]21 2308610291 OTTXDUHWZBHCTB-WCXIOVBPSA-N 252.442 4.924 30 10 CJEE C=C(C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)[Si](C)(C)C 2309180546 FLALCWXBSNFQNH-KKUMJFAQSA-N 264.485 4.596 30 10 CJEE CCc1ccccc1COCCCCCCCS 2315969120 KQKRROFFNNXCAU-UHFFFAOYSA-N 266.450 4.646 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065916 YOFYNEBITBFGJN-SMDDNHRTSA-N 284.230 4.919 30 10 CJEE C=CCCCCCCCSC[C@@](C)(CC)C(=O)O 2320207900 DYCHUFVIAUKPIF-OAHLLOKOSA-N 272.454 4.747 30 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C=CCCCCCCCCNCC[C@H]1CCC1(F)F 2335267005 AREUNEHKIUCAHK-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE C#CCCCCC[C@H](NC)c1c(F)ccc(C)c1Cl 2335568894 RGVYHHBVWYZMHF-AWEZNQCLSA-N 281.802 4.632 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 2337068332 ZJSIURDERHSWDO-JCURWCKSSA-N 275.823 4.662 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CCCCC[C@H]1C(C)C 2337068870 HSIRQJSEBJHKJW-WNRNVDISSA-N 263.469 4.926 30 10 CJEE C=CC1(C[C@@H](N)c2cc(F)ccc2C(F)F)CCC1 2338267202 QFQCALCUDRTTJN-CYBMUJFWSA-N 269.310 4.510 30 10 CJEE CCCCCCCCN(C)Cc1ccc(COC)s1 2342414841 NUXSBAPQCDKERY-UHFFFAOYSA-N 283.481 4.687 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1COc1cccc(Cl)c1C#N 2343153993 QQZHQVNYSVRNNS-DGCLKSJQSA-N 277.795 4.663 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(CCF)CC1)NCCC 2344342126 HIZFCRWVSNLRIX-HZPDHXFCSA-N 269.448 4.877 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC#CCCCCC)NCC 2344373712 CFDRJGMFFBDSQM-QZTJIDSGSA-N 263.469 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC(F)(F)C1)NCCC 2344378300 UXGTWFDOECHDHH-GJZGRUSLSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2344468290 NVTDRZXJGGRBGX-LBPRGKRZSA-N 292.728 4.995 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1(C)CC(C(F)(F)F)C1 2344477619 VZAQNMSJIYIXQI-FKZOYECMSA-N 278.358 4.708 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCCC[C@@H]1C1CCC1 2352101897 WYVDJCHMWSIEIT-NVXWUHKLSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@H]1C[C@@H](C(F)(F)F)C1 2352914120 WDDQBQCEWOBFCV-NTZNESFSSA-N 298.414 4.574 30 10 CJEE CCC[C@H](CC)COc1cccc(SCC)c1C#N 2353561289 PIXPVCGTMKMMGX-ZDUSSCGKSA-N 277.433 4.875 30 10 CJEE CC(C)C[C@H](CS)COCC[C@H]1CCCCC12CC2 2353836246 YJBVPXLHAWHNBV-JKSUJKDBSA-N 284.509 4.956 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](O)[C@@H]1C[C@H]1CCC 2357786748 XMTUSKFSAJYASN-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 19921863 GEFKPRKCNWMFNO-LLVKDONJSA-N 290.288 4.750 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)ccc2Cl)c(F)c1 36886445 FMBIYACMUWMGNA-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1cccc(O)c1 37766164 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CJEE CCCCCCCCCCCCCc1nnc(N)s1 140119687 RCIVLMSLUIAUMZ-UHFFFAOYSA-N 283.485 4.974 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(C)nnc1C 143450423 JUERCBJOJCJPRZ-QGZVFWFLSA-N 277.456 4.624 30 10 CJEE CC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 163857075 AOJIZBPCVFUKJJ-YPMHNXCESA-N 282.309 4.568 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@H]1CC 164024387 ONXPPHSGQMUQPY-KGLIPLIRSA-N 261.434 4.955 30 10 CJEE N#Cc1cc(Cl)nc(SCc2ccc(Cl)cc2)c1 166034610 AKHRESJMLQXCCA-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1C)C1CCCCC1 203439747 DYDYNWGSNGKBJT-INIZCTEOSA-N 256.393 4.638 30 10 CJEE C=C(CN[C@@H]1CCCC[C@@H]1C(C)C)c1ccccc1 215086337 NFMHLMRYADPQQL-QZTJIDSGSA-N 257.421 4.504 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2nccs2)C1 226712924 HZZBWQWFGZNXFP-UPJWGTAASA-N 294.489 4.980 30 10 CJEE Cc1ccc(C(C)C)c(Oc2cccc(C#N)c2)c1 227633708 XFNVLJRWKWXEHJ-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)C1 230995761 MNUIWRJRBOABKK-KBPBESRZSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccoc1Cl 232948183 ZIVDFEIKKXFZKP-CQSZACIVSA-N 286.847 4.968 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(Br)c1C 235743498 WKPUFQRWFWAIEI-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE C=CCCCCCC(=O)c1ccc(F)cc1Br 236160891 VKVZHNJOJMPQSW-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE CCC(=NO)c1ccccc1O[C@@H]1CCCC[C@@H]1CC 252461506 IEJAZZFSJCAEPK-XJKSGUPXSA-N 275.392 4.623 30 10 CJEE C[C@@H](C#N)c1csc2ccc(C(F)(F)F)cc12 259915046 CQKVBSBUDPTSMW-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@@](C)(O)c2ccc(Cl)c(Cl)c2)C1 307891999 KPKJQZPDQSMAFG-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2cc(C)ccc2C)c1 308120325 GIOBJDFQDRMAHG-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CC(C)(C)CC[C@@](C)(C#N)Nc1ccccc1Cl 310851714 MAQMCFZXDBHUQC-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1c(F)cccc1Cl 311679307 IYTZNQPVDMMXRG-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C1=COCC1 311937119 HGOXXOCFNKEETI-QGZVFWFLSA-N 267.457 4.800 30 10 CJEE 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BQQZLHRRDQCAQP-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE CCCCCCCC[C@H](NCCC)C(C)(C)COC 395461449 FLKIEQAGORWNBZ-INIZCTEOSA-N 271.489 4.778 30 10 CJEE Cc1ccc([C@H](C)N(C)CCCCCCS)s1 395763555 WCNZJQOWWKXFRX-ZDUSSCGKSA-N 271.495 4.540 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCCN[C@H]1C 396718771 SBXRKTXIIVUQPG-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CC(C)C[C@@H]1CCCN1CC1(CS)CCCCCC1 396970058 JBSSCJXOZYCMCZ-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCNCc1cnc(C)cc1C 397073737 NMSDNKFHMPQMLF-UHFFFAOYSA-N 262.441 4.539 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)c1ccccc1Cl 397208994 VNXQRUOAKHPOJP-HIFRSBDPSA-N 290.838 4.711 30 10 CJEE C=CCCC[C@@H](C)Nc1cccc(SCC)c1C#N 398044503 AMZMVZYFAWLUQW-CYBMUJFWSA-N 274.433 4.827 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F 398154738 HYMALNRVRPNKJU-SNVBAGLBSA-N 284.306 4.689 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)C1CCC1)NN 398605318 COTDSRONDZRKDL-NVXWUHKLSA-N 268.489 4.785 30 10 CJEE CC(C)(C#N)CCNc1cc(Cl)c(Cl)c(Cl)c1 404237554 ALRLHSCVWYOQLA-UHFFFAOYSA-N 291.609 4.999 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](C)OCc1ccccc1 404378729 MGLIVZHCBTZRFP-IEBWSBKVSA-N 291.479 4.930 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(F)cc(F)c1 686696635 IGNIKJGUXJKIRE-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE CCCCCCCCOc1ccc2c(c1)[C@@H](NC)CC2 690815038 WGJXAQAXJKGYEK-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=C1C[C@H]2CC(NCC(C)(C)C3=CCCC3)C[C@@H](C1)C2 697270658 RSMGKMZHKXSWQJ-BYICEURKSA-N 273.464 4.847 30 10 CJEE C=C(CN[C@@H]1CCCC(C)(C)CC1)c1ccccc1 697620742 HEPOMHTYTPGNLN-QGZVFWFLSA-N 257.421 4.648 30 10 CJEE C=CCCCCC[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C 699074344 GBUKPDDZZAMGBL-VYDXJSESSA-N 251.458 4.913 30 10 CJEE CCCc1ccccc1Oc1ccc(Cl)cc1C#N 699507584 SDGYBORXXDNUBX-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@@H](C)c2ccccc21 701866845 FDGSMDBXPOMQJJ-PBHICJAKSA-N 257.421 4.817 30 10 CJEE C=CC(C)(C)CCNc1cc(C(F)(F)F)cc(Cl)n1 701881709 OIMWQANSBHBSCZ-UHFFFAOYSA-N 292.732 4.768 30 10 CJEE Cc1ccc(CO[C@H]2C[C@@H](C)CC(C)(C)C2)cc1C#N 701882791 SNBDRTJIRNAUAS-DYVFJYSZSA-N 271.404 4.598 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCC(C)(C)CC1 704038344 NJVIBDJYCDXRBO-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(Br)cc1 704909990 NFGWPIRRXYBQNP-KCPJHIHWSA-N 292.220 4.883 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H]1CCSC1 708794933 NWXCHULNOSKLLE-HZPDHXFCSA-N 271.514 4.988 30 10 CJEE C=CCCC(C)(C)CNc1nc(CCC)nc(Cl)c1C 709452879 CYJWUDKNDKIFJN-UHFFFAOYSA-N 295.858 4.795 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccc(Cl)cc1 709570377 SHJYNLYHQNYOMK-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE CCCCCCC[C@@H](NC)c1csc(COC)c1 710946262 AFOJOGWCDYLJEY-OAHLLOKOSA-N 269.454 4.516 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c(Cl)c1 714286912 NMSXRADVAHGPRF-OFQRWUPVSA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 715704426 JQBBFHRBCVHDDK-DLUNXRHZSA-N 275.480 4.783 30 10 CJEE CCCCCCC[C@@]1(C(=O)O)CCC=CCCC1 719104617 IWNAFVNIUSXJMY-MRXNPFEDSA-N 252.398 4.938 30 10 CJEE CC[C@@H]1C[C@@H]1CC1(C=O)CC(C)(C)CC(C)(C)C1 723105616 FZEHYHXIXZEXFG-ZIAGYGMSSA-N 250.426 4.844 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2CCCC3(CC3)C2)CC1 724559429 MFBZWPIAERFTRW-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(CC)CC)CC1 724576129 UFRBZOXILDQTAO-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE C=C1CCC(CSc2cccc([C@@H](C)O)c2)CC1 724594634 FQTFOXSPPDQIFH-CYBMUJFWSA-N 262.418 4.578 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1sccc1C 733748510 AXBIAXUXRNOOKR-CMDGGOBGSA-N 284.380 4.517 30 10 CJEE Cc1ccccc1C1CC(=NNc2cccc(F)c2F)C1 743443564 ZKNUAFKJVAZOPF-UHFFFAOYSA-N 286.325 4.619 30 10 CJEE Cc1ccccc1C=Nc1ccc(Br)cc1 1084193970 XCZSIPQUKFAFNV-UHFFFAOYSA-N 274.161 4.508 30 10 CJEE Cc1ccc(C=Nc2ccc(C(=O)c3ccccc3)cc2)cc1 1084653984 WTJJQEQYYGFIOD-UHFFFAOYSA-N 299.373 4.977 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2CCC)c1 1134626661 MRKOKXXPSYRMDI-WMLDXEAASA-N 271.404 4.875 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)C1 1153113356 YGJGNTQYLRPFTM-UHFFFAOYSA-N 297.442 4.940 30 10 CJEE C=C(C)CCN[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1193248249 CWARYSPLKWUCCJ-CHWSQXEVSA-N 285.353 4.753 30 10 CJEE C#CCCN[C@H](CCCCc1ccccc1)c1ccccc1 1307613156 PAFWJTJFISFWBM-OAQYLSRUSA-N 291.438 4.754 30 10 CJEE C#Cc1ccc(NCc2c(C)cc(C)cc2C)c(Cl)c1 1308537678 GCQCFPRWJHJFHK-UHFFFAOYSA-N 283.802 4.859 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCCC[C@@H]1CC 1308792239 OOTUXALWFFFPQI-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C#Cc1ccc(NC(=O)N2CCCC2(CCC)CCC)cc1 1311302985 YQSGGSVPEPXTKS-UHFFFAOYSA-N 298.430 4.635 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)C1CCC(C(C)(C)C)CC1 1352866405 CDZCKTUSRWNRRR-QQFBHYJXSA-N 279.468 4.652 30 10 CJEE C=CCN(CCc1ccc(C)cc1)CC1CCCCC1 1459485533 MEBBWMHNUKCWGP-UHFFFAOYSA-N 271.448 4.606 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccccc2OCC(C)C)C1 1461095006 VXWCIYNOZULPPU-WMZOPIPTSA-N 287.447 4.556 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1c(CC)oc2ccccc12 1462608674 FZALMPKPLBRWHK-UHFFFAOYSA-N 299.414 4.717 30 10 CJEE C=CCCCCN[C@H](c1ccccc1)C1CCCC1 1473246630 CHINTGNBUSTCHM-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CC[C@@H]1CCCN([C@H]2CCc3cc(Cl)ccc32)C1 1473627893 TZWJELOTCGXXHF-DYVFJYSZSA-N 275.823 4.615 30 10 CJEE C=CCOc1ccccc1CNC1CCC(C(C)C)CC1 1474005854 JVORVEULARIOSG-UHFFFAOYSA-N 287.447 4.556 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cccc(OC(C)C)c1 1523050091 UDEDTDOLYISRCT-KDOFPFPSSA-N 290.403 4.680 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(Cl)c(F)c1 1524524907 BHKMTIYAEMVPLN-UHFFFAOYSA-N 297.801 4.736 30 10 CJEE C=C[C@@H](OC(=O)CCCc1ccsc1)c1ccccc1 1528632225 QMDNELFINPERAB-MRXNPFEDSA-N 286.396 4.541 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2c(C)oc3ccccc23)C1 1560431408 TYKLSQYARFXQQG-HUUCEWRRSA-N 269.388 4.576 30 10 CJEE C=CCC1(CN[C@H](C)[C@@H]2CCCC[C@H]2C)CCCC1 1560831854 VNYIKNPIVJNPCI-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](C)Nc1ccc2c(c1)C=CC1(CCC1)O2 1561005929 WNDYMRAVHBXTNX-AWEZNQCLSA-N 269.388 4.782 30 10 CJEE C#Cc1cccc(N(Cc2cccs2)[C@@H]2C=CCCC2)c1 1616145769 QPKKGDJGCHJWRP-QGZVFWFLSA-N 293.435 4.845 30 10 CJEE C=CCCCCNC1(c2ccc(Cl)cc2)CCC1 1617895120 WFZZDJNGVOCXLC-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(Br)c(C)c2)C1 1620732878 GYHPIDQVJNZCIO-TZMCWYRMSA-N 294.236 4.914 30 10 CJEE C#CCCCCCCSc1c(C)cccc1C#N 1641381896 XWYUVGADKANOTD-UHFFFAOYSA-N 257.402 4.543 30 10 CJEE C#CCCCCCCN(CC)c1ccc(C)cc1C 1644804493 ZZBWKTVOHXPNCM-UHFFFAOYSA-N 257.421 4.713 30 10 CJEE C#CCN(CCC1CCCCCC1)C1CCCCC1 1652403329 JZIFLGYSLFPQHY-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE CC[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1C(C)(C)C#N 1654169076 HLIISKMNFHELQH-LPHOPBHVSA-N 298.474 4.888 30 10 CJEE C=CCC(C)(C)CNCc1ccc(F)c(Cl)c1Cl 1657433779 GMAWNEHBTFLHKN-UHFFFAOYSA-N 290.209 4.824 30 10 CJEE C=CCCCCCCCNC1CCC2(CC1)CSC2 1659961682 WZMHZXUKPKVFCZ-UHFFFAOYSA-N 281.509 4.778 30 10 CJEE C#CCSc1nc(-c2ccc(C(C)(C)C)cc2)cs1 1860801663 ZJLCHOUORDVRHZ-UHFFFAOYSA-N 287.453 4.833 30 10 CJEE CCC1CCC(CC2(C#N)C[C@@H](C)O[C@H](C)C2)CC1 1878387388 JLHKLPDOSXOTAG-WXLSXGNJSA-N 263.425 4.690 30 10 CJEE C=CCCN(Cc1ccccc1)CC(C)(C)CC(F)F 1882663665 HFOJTNNQHZJMST-UHFFFAOYSA-N 281.390 4.746 30 10 CJEE CCCCCCCCN(C)C[C@@]1(C)C[C@@H]1C(F)(F)F 1883319291 HRQXQFZPBUEEHT-UONOGXRCSA-N 279.390 4.867 30 10 CJEE CC#CCCCC[C@@]1(CNCCC)CC[C@H](CC)C1 1885238903 YKQIVNLGYRCIRT-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE CC#CCCCC[C@@H](N)c1ccccc1C1CCC1 1885244942 PHCRPEHTKPTDNW-GOSISDBHSA-N 255.405 4.538 30 10 CJEE C=C[C@H](N[C@H](C)c1cc2c(s1)CCCC2)C1CCC1 1892935563 YPMOURGKHLTSLT-DOMZBBRYSA-N 275.461 4.632 30 10 CJEE N#CCCCCCSCc1cccc(Br)c1 1902047879 MMHDVSOBSQRARO-UHFFFAOYSA-N 298.249 4.766 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1csc(CC)c1 1920808259 AXZNEMOCZFAAOF-IAGOWNOFSA-N 297.508 4.683 30 10 CJEE CSc1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)cc1 1921048856 JRAGASFHROVWQD-HNNXBMFYSA-N 289.444 4.552 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)c1csc(C)c1 1921138147 MRDQRQLKKNQWEY-SJORKVTESA-N 297.508 4.819 30 10 CJEE N#C[C@@]1(CCCc2ccccc2)CCCC12CCC2 1921618682 YQZFOVRTPOVFBK-GOSISDBHSA-N 253.389 4.873 30 10 CJEE C=C(COCc1ccccc1)C(=O)C[C@H](CC)C(C)(C)C 1922052515 TUDZTJXWKLNUHA-KRWDZBQOSA-N 288.431 4.791 30 10 CJEE 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ZZQWUUPZXYIEEO-ULQDDVLXSA-N 297.508 4.913 30 10 CJEE CCCCCCCC[C@H](C)Nc1cccnc1N(C)C 2240637843 NDXTWIOQLRRWMO-HNNXBMFYSA-N 277.456 4.699 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@H]2OCC[C@H]2C1 2240666047 JKUMWZILCMTPKR-WNRNVDISSA-N 281.484 4.673 30 10 CJEE C=C(C)CCCCNc1cccc(Br)c1F 2244639272 LVTVMGHCMRRZJP-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C=CCSc1sc(CN[C@H](C)CC)c(C)c1C 2247225476 VWQDKIOQSQDYPH-SNVBAGLBSA-N 269.479 4.531 30 10 CJEE C=CCCCSc1cccc(Cl)c1CNCC 2250065503 OHYQGCPFTKHGLF-UHFFFAOYSA-N 269.841 4.508 30 10 CJEE N#CCCCCCSCC1(C(F)(F)F)CCC1 2251704581 GLVOHDYEQTWJFA-UHFFFAOYSA-N 265.344 4.536 30 10 CJEE CC(C)CC[C@H](C)[C@@H](C#N)c1c(F)cccc1F 2257460340 QBMFPTDMUOMTJK-NWDGAFQWSA-N 251.320 4.644 30 10 CJEE C=C(C(=O)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2263445594 DNGFNDQMPVFOKS-UHFFFAOYSA-N 292.398 4.692 30 10 CJEE CCCCCCCCC[C@H](C)NOCC1CCC1 2263716940 FDYQLPRQBXFYDI-HNNXBMFYSA-N 255.446 4.837 30 10 CJEE C[C@@H]1C[C@H]2CCC[C@@H]2N1CCCCCCCCCS 2265580340 WVZWHYJZSPKWSW-ZACQAIPSSA-N 283.525 4.910 30 10 CJEE C=C1CC([C@H](CC[C@@H]2CCCC23CC3)NCCC)C1 2266647266 NBHNJCZCGXHFFN-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1cc(Cl)ccc1OC 2268080478 ZIUIAXVQEKAEOX-LBPRGKRZSA-N 281.827 4.602 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccc(CCC)cc1 2268212674 COEWFMLQKAUAIT-GOSISDBHSA-N 257.421 4.613 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](O)CC=CC#CC(C)(C)C 2268829444 GPACECQTBBFCOP-DLBZAZTESA-N 264.453 4.806 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCNc1cc(C#N)ccc1Cl 2269517888 CXMVYKWHGLLPEY-OCCSQVGLSA-N 276.811 4.840 30 10 CJEE C=CCCCCCCCSCc1cc(C)[nH]c(=N)c1 2271593557 FIFGFOMIFDBWMF-UHFFFAOYSA-N 278.465 4.562 30 10 CJEE C=CCCCCCCCS[C@H]1[C@H]2[C@H](C[C@H]1N)C2(C)C 2271595007 SSGCAYFNTHLLJY-ZJIFWQFVSA-N 281.509 4.618 30 10 CJEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 2271792710 SBGMUQCVGUDAEW-AWEZNQCLSA-N 280.795 4.720 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](OCC)C(C)C 2271834465 FRHDXNIJYHPDLQ-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H](OCC)C(C)(C)C 2271835215 PTTNGNROVARAHF-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1sc(C(C)(C)C)nc1C 2273030399 DUQPULAXPOAAQQ-RYUDHWBXSA-N 280.481 4.612 30 10 CJEE C=C[C@H](C)CCN[C@@H](CCCC)c1ccc(F)cc1 2273232495 GYBRGNPGAJMABJ-YOEHRIQHSA-N 263.400 4.859 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1sc(C)c(C)c1C 2273974605 AWXSRANUHOCSBD-INIZCTEOSA-N 275.461 4.518 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)cc1 2273997850 BVHZIRIJCKOGSU-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE CCCCCCC[C@@H](CCC=C(C)C)OCC(=O)O 2275440161 GOCREMVWWLUMSD-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccc(C)s1 2276062747 BKYKDCGHFRYVJE-HNNXBMFYSA-N 283.481 4.824 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H](C)C[C@H]1C 2277228026 LRCGAICANGMXBK-BBWFWOEESA-N 269.473 4.517 30 10 CJEE N#CC1(c2ccc3cccc(Cl)c3n2)CCCCC1 2277660184 FTFYYWMSTHBPAY-UHFFFAOYSA-N 270.763 4.614 30 10 CJEE CCCC#CC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2277671814 FMZOYVUJBIYPMA-LLVKDONJSA-N 289.366 4.611 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2(C)CC(F)(F)C2)CC1 2278136558 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C=C(C)CCCC[C@@H](OCCN)c1cccc(F)c1Cl 2292778301 DLZHTNGZXRALRC-OAHLLOKOSA-N 299.817 4.632 30 10 CJEE CCCCCC#CC[C@](CC)(OCCCN)C(C)(C)C 2292840919 QZNZSKLSWKIXGD-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C=CCCC1 2293408422 REHPJYXLFBTHBW-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)c1cncs1 2293526447 AIPUEADIMFVAPY-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE CCCCCCC[C@@](CC)(OCCN)c1ccccc1 2294360936 GTMXHXAIFUYEMW-GOSISDBHSA-N 277.452 4.628 30 10 CJEE CCN[C@H](CC#Cc1ccccc1Cl)CC1CCCC1 2295203511 WECRGTJAXRYDNI-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C1(CC)CC1 2295525128 QUNJHZWYUSYJNR-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC1=CCCC1 2295597616 XQPOYMWSENKMBV-SFHVURJKSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@H](OC)C1CC1 2295679686 RQWQXQOHLAJSRQ-JZXOWHBKSA-N 283.500 4.919 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNCC(C)C)s1 2298942121 JFFYZGKNYXUZLH-LBPRGKRZSA-N 269.479 4.550 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301281693 UCTVWCPNWFLKBU-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(C)cc(Cl)c1 2304079274 SJOSPCJAMNAUJF-OAHLLOKOSA-N 250.769 4.824 30 10 CJEE C=CC[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2307636072 GQMRLKVMYDUUJH-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)C)cc1Cl 2313704227 JGRZRGMJYNANLO-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cccc(F)c1Cl 2316739481 RZVIKTUDXWRCSG-HNNXBMFYSA-N 267.775 4.508 30 10 CJEE C=CCC(CC=C)C[C@@H](NC)c1cccc(Cl)c1 2316748396 ZTYUALBQBUZAJZ-MRXNPFEDSA-N 263.812 4.759 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1CCC(C)CC1 2321095490 JFTIIIBQKJFXGK-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(F)c(C)cc1Cl 2321097145 YUVNIZZLJMZDJY-GJZGRUSLSA-N 269.791 4.780 30 10 CJEE C=CCC(C)(C)[C@H](CCC[C@H]1C[C@@H]1C)NCCC 2321113152 LYKOJOIAFBYLAD-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2321219610 KJHOWPMSKUPDAA-ABAIWWIYSA-N 287.230 4.889 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC(C)(C)C(F)(F)CC 2321221938 FFRWAVVPKXLMNR-GXTWGEPZSA-N 262.384 4.801 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1)C(C)(C)C 2332701170 VHOFUGDDLWWICI-GVDBMIGSSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCCCN1C[C@H]2C[C@H](C)[C@H]2C1 2333362569 CNTRTDCZYVSNKM-RCCFBDPRSA-N 263.469 4.881 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](c1ccccc1)C(C)C 2337067597 NJHFVGLMQPRTIH-CGTJXYLNSA-N 257.421 4.718 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1F 2337105924 CJHTUYKOQGHQJD-HWWQOWPSSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CCC(CC)CC1 2337110942 GUGXTKOHXCKBJH-QUFRXWBVSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ncc(CC)s1 2338698888 JDJIIYYRYXDRCQ-HNNXBMFYSA-N 278.465 4.515 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCCC 2341882125 BICZBZPAUCAIQI-XSLAGTTESA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C 2343071597 ZCFGBPFXFIBRJW-ULQDDVLXSA-N 263.469 4.805 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)c(C)cc1OC 2344359260 XWGKVAAAGMTXAT-OAHLLOKOSA-N 281.827 4.520 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(C)cc(F)c1 2344372631 UHQKJXKORIBBHG-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(C(F)(F)F)c1 2344418898 DHZAREZOCYAXHF-CQSZACIVSA-N 270.294 4.881 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)C[C@](C)(CS)C(C)(C)C 2352081897 FFWIPKAZHVEMST-HLLBOEOZSA-N 285.541 4.869 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC[C@@H]1CC[C@H]1C1CC1 2352177168 VCNZHRKAJNMMGB-ZOBUZTSGSA-N 284.509 4.812 30 10 CJEE CCCCCCCN(C)c1nc([C@@H](N)CC(C)C)cs1 2360364389 QPOOZIIROOCIFG-AWEZNQCLSA-N 297.512 4.596 30 10 CJEE C=CCC(CC=C)Sc1ccncc1CN[C@@H](C)CC 2360375064 NEVITVBXKFTNTR-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE N#Cc1ccccc1N[C@H]1CCCC[C@H]1c1ccccc1 37203041 XDYAZHKNNVFXMF-HKUYNNGSSA-N 276.383 4.697 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](c1cccs1)C(C)C 49558369 GOUZTQYGXIFLMN-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE N#Cc1oc2ccc(Br)cc2c1-c1ccccc1 52068781 SWNXGSWTUDSWTK-UHFFFAOYSA-N 298.139 4.734 30 10 CJEE CCCCCCCCNc1ccc(NC(=O)OC)cc1 59462147 DBZNUTOZWAORSM-UHFFFAOYSA-N 278.396 4.637 30 10 CJEE Cc1cccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)c1 59513994 KQVXLGXPEXLEQD-PXLXIMEGSA-N 299.373 4.977 30 10 CJEE Cc1sc(-c2cccc(OC(C)C)c2)cc1CC#N 77094493 PHENHUKROVMFTQ-UHFFFAOYSA-N 271.385 4.577 30 10 CJEE CCOc1ccc(C)cc1C(=O)/C=C/c1sccc1C 83205239 KPBOAWPJPQXDTL-SOFGYWHQSA-N 286.396 4.660 30 10 CJEE C[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)CC[C@H]1C 85017946 OYVAGOVETOHFQT-SUNKGSAMSA-N 297.320 4.781 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)[C@@H]2CCC[C@@H](C)C2)CC1 91903967 PMFRYZDIRPSZEJ-ZGOYPJMSSA-N 277.452 4.530 30 10 CJEE Fc1ccc(OCC2(CS)CCCCC2)c(Cl)c1 94582199 AHSHHLOQFWJWKQ-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 94848782 NGYLPXNDONXWKW-LZLYRXPVSA-N 276.468 4.605 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 94902682 XHNSYEJBTKSDBU-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccnc2ccccc12 97219701 YKPUNUGTQNCLHR-GOSISDBHSA-N 268.404 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127709866 GVYUAFSIESRFRX-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE CCCCCC[C@@H](C)Nc1c(F)cc(C#N)cc1F 133601268 VKKGPXOVHCULBH-LLVKDONJSA-N 266.335 4.607 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ncccc1N 134654160 IWNBPZJWAPTRHP-UHFFFAOYSA-N 291.439 4.523 30 10 CJEE CCCCCCC[C@H](N)CCCc1cccs1 139608023 GOGRAWVZJWGXLT-AWEZNQCLSA-N 253.455 4.759 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 149835737 SAOMACBCVTZEPM-LBPRGKRZSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@](C)(O)Cc1ccccc1F 158712528 FJHQAIWJAWVYSF-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)c2cc(OC)ccc2O1 165284315 XHHCPFJJQIKMGS-SFHVURJKSA-N 290.403 4.780 30 10 CJEE C#CCC[C@H](CCCCCCCCCCC)NC 165974052 RFFPTZICULWXQG-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCC[C@H]2C(C)C)CC1 214732163 XRNYYZYCHQIEGZ-VLOYRQLPSA-N 291.479 4.920 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(O)C1(C#N)CCCCCCC1 214851424 CPUQMFOFGSVNSY-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2C)C1 222883619 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JGQVPASLYAIKLW-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]2CC[C@H]1O2 250827119 OGQQUXOTYZBCIO-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@H]1[C@H](C)CC 250827158 OJEVQBZGCPTKMZ-QYZOEREBSA-N 296.543 4.836 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(SC)cc1 311146941 HOVTWMVAQXXWRA-CYBMUJFWSA-N 263.450 4.661 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC(F)(F)C2)CCc2ccccc21 312135292 LPBLCUQZMILLES-BBRMVZONSA-N 275.342 4.610 30 10 CJEE C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)c2ccccc21 313544304 RAYFIIQDJUNWJV-GTNSWQLSSA-N 282.774 4.872 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1ccc(C(C)(C)C)cc1 317231357 YDTGLMSVTRADBS-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE SCCCCCCCCCN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 380744643 MBUMAVKEDXVKIW-XSLAGTTESA-N 295.536 4.625 30 10 CJEE CCO[C@@H]1C[C@H](C2(C#N)CCC(C(C)C)CC2)C1(C)C 381019435 BNHLPVUZNKGEAM-BNQMIIOLSA-N 277.452 4.794 30 10 CJEE C=C(COC(C)C)[C@@H](CCC1CCCCC1)NCCC 395539401 LKTLCDDBPRXXPT-GOSISDBHSA-N 281.484 4.696 30 10 CJEE C=CCCCOCCC(CC)(CC)CNC(C)(C)C 395586878 AQSNMILQVDUIJF-UHFFFAOYSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCNC[C@@H](CC)CC(F)(F)F 402710923 GEGIZHOYTATLBE-ZDUSSCGKSA-N 265.363 4.691 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)OCc1ccccc1 404378726 MGLIVZHCBTZRFP-HKUYNNGSSA-N 291.479 4.930 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccccc1C(C)(C)C 686693338 RSFMYTDGPVTVJN-GOSISDBHSA-N 271.448 4.828 30 10 CJEE C#CCCCCCC1(CNCC)CCC(C)(C)CC1 686694792 RPXDVXJRKWUPDT-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C[C@@H](CCC(C)(C)C)/N=C1/NC2(CCCCC2)CCS1 687319791 JGRDTBVUBWXJRO-AWEZNQCLSA-N 296.524 4.987 30 10 CJEE C#C[C@H](Nc1cccc(C2CCC2)c1)c1ccccc1 690153517 WBKZVBRTNJIIII-IBGZPJMESA-N 261.368 4.741 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(F)cc1 692272781 NJKQKTUHSSTJFA-LXZKKBNFSA-N 261.384 4.611 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCOC1(C)C 693157058 XKPOJVYMDNCWEO-CVEARBPZSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)CC(F)(F)F)NN 694700526 MKLSKVLZSVWHDB-ZDUSSCGKSA-N 296.421 4.938 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2Cl)CC1 697549318 DAMABQAOCPSDKI-GXTWGEPZSA-N 276.811 4.617 30 10 CJEE C=CCCC[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C 698997248 PDIGLMXUOSLXCQ-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE CC[C@@H](Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F 702901640 VXAZYXYMLNZFPD-SECBINFHSA-N 289.194 4.597 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc(Cl)cn2)CC1 703872607 FMYZEWXVDCSYLE-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(Br)cc1 704909987 NFGWPIRRXYBQNP-DFBGVHRSSA-N 292.220 4.883 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(F)ccc(F)c1Cl 705541302 CZSYTAPSGTWYPQ-ABAIWWIYSA-N 299.792 4.843 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H](C)CC(C)(C)C 708256852 VVEMVOSCBMSQRL-HZPDHXFCSA-N 265.485 4.867 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCSc2ccccc21 709358915 ZTXAPGAYXMESEQ-OIISXLGYSA-N 287.472 4.948 30 10 CJEE C1CCCC2(CCC1)CS/C(=N/CC1CCCCC1)N2 713204159 ZFNXERMVVYRCFP-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(F)c1Cl 715767430 COAOABPNTIMJOW-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CC[C@H](C)[C@H](NC)[C@@H](c1ccccc1)[C@@H](C)CC 715796107 ODPCJJUKBJJPDM-ONIAQPFYSA-N 259.437 4.617 30 10 CJEE CCC(C)(CC)c1nc(-c2ccc(C#N)cc2)cs1 721695797 CDVOASISHPXGCL-UHFFFAOYSA-N 270.401 4.759 30 10 CJEE C=C1CCC(COc2cc(F)ccc2Br)CC1 724569977 MQJRRZVBMGMBBO-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE C=C1CCC(C[C@@H]2CC(C)(C)CC[C@H]2CNC)CC1 724619102 VFXMCQJBXFYIQZ-DLBZAZTESA-N 263.469 4.785 30 10 CJEE C=CCC[C@H](NC(=O)c1sc(C)cc1C)c1ccccc1 1127384650 RXAOVFLDOWYMGT-INIZCTEOSA-N 299.439 4.802 30 10 CJEE C=C(CC)C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 1141834502 DAXCVHCWLGVRQQ-KRWDZBQOSA-N 285.431 4.614 30 10 CJEE C=C(C)CN(CC(C)C)[C@@H](C)c1ccccc1Cl 1170245414 VWJNBRFMCQYVLX-AWEZNQCLSA-N 265.828 4.935 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(Cl)oc2ccccc12 1174780863 SDWFMJJTVCGFQT-BETUJISGSA-N 287.790 4.769 30 10 CJEE C=C[C@@H]1CCCCN1[C@H]1CC[C@](C)(c2ccccc2)C1 1181314499 GFBHCRJZUHJCQG-QYZOEREBSA-N 269.432 4.537 30 10 CJEE C#C[C@H](N[C@H](CC)C[C@H](C)CC)c1ccc(Cl)cc1 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285.475 4.980 30 10 CJEE C#Cc1cccc(NC(=O)c2ccc(C(C)C)c(Cl)c2)c1 1525548919 MHFMKTAXPJRGCD-UHFFFAOYSA-N 297.785 4.697 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccccc1 1526453120 SJTYDGAKKLFROZ-QZTJIDSGSA-N 297.442 4.781 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(C)c1 1531922718 DNRRFJMLZNGRAY-CZUORRHYSA-N 291.822 4.513 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1538139060 GVDRPJVZIROMKB-ZMSDIMECSA-N 285.431 4.816 30 10 CJEE C=C(C)c1cccc(NC(=O)C23CCC(CC2)CC3)c1 1539122020 RYOSIBIIMIKCBF-UHFFFAOYSA-N 269.388 4.629 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)C[C@@H]1c1ccco1 1559563212 QRCLZBRLSDDBHZ-IAGOWNOFSA-N 273.420 4.636 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 1561041919 KCPONCHJRARJEK-GUYCJALGSA-N 277.839 4.532 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C1(C)CCC(C)CC1 1597189727 BOHUUNSMFKCHLN-KGXSXCIVSA-N 299.458 4.506 30 10 CJEE C#CCCCCCCOc1ccc(Br)cc1F 1613237906 AZBZWMYAEIEACG-UHFFFAOYSA-N 299.183 4.551 30 10 CJEE FC(F)(F)Oc1ccccc1C#Cc1cccc(Cl)c1 1614731263 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4.827 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCN)CCC[C@H](C(C)(C)C)CC1 2294550535 JRRNFXXQRRDUME-XYJFISCASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@H]2C[C@@H]1C2 2294567601 HWUDESBQIDEXRH-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CCC(C)(C)CNCc1c(C)c(C)c(C)c(C)c1C 2294692949 STXFCJUCXQFXTR-UHFFFAOYSA-N 273.464 4.921 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCNCC1(C)C 2295519891 LJTPKAJPIUZXHQ-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)NCCCN(C)C(C)C 2295679129 MYBOFWIFRMECOZ-SFHVURJKSA-N 284.532 4.836 30 10 CJEE CCCC[C@H](CC)C[S@](=O)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 2295765846 HSQCHFLCDAICOE-ZTTBQOKTSA-N 297.508 4.670 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](CCC(F)F)C(C)C)C[C@@H](C1)C2 2296260383 TZVPXIHIOVBUBI-QXULXFAOSA-N 285.422 4.781 30 10 CJEE C=C1CC(C[C@@H](O)c2ccc(Cl)c(Cl)c2C)C1 2301222421 GHSFXIWUDRECAI-CYBMUJFWSA-N 271.187 4.692 30 10 CJEE Cc1sccc1OCC1(CS)CCCCCC1 2307204638 RAJDPEVEIHRIQU-UHFFFAOYSA-N 270.463 4.706 30 10 CJEE CC(C)C[C@H](CS)CSc1ccc(F)cc1F 2308067775 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C=CCC(CC=C)S[C@@H]1C[C@@H](CC)CC[C@H]1NCC 2335095743 FOWMTBSMYQWVKL-USXIJHARSA-N 281.509 4.797 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cc(C2CC2)ccc1Cl 2338122539 DODRHVPRNRAXNH-NSHDSACASA-N 276.811 4.958 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)ccc1C(F)F 2338287502 UUWKXKNCWCAATA-UHFFFAOYSA-N 268.278 4.837 30 10 CJEE CC(=CCNc1ccccc1C#N)CCCC(C)C 2338445550 UMLYLJLDIFPZOX-UHFFFAOYSA-N 256.393 4.743 30 10 CJEE C=CCC(CC=C)[C@H](NC)C1C[C@H]2CCC[C@H](C1)C2 2338740595 GSSPTXDKTSVWEW-MPGHIAIKSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1nc(C)c(C)s1 2338750312 QZQZLYMQMIACLU-OAHLLOKOSA-N 278.465 4.569 30 10 CJEE CCCCCCCCCCNC(C)(C)[C@H](O)C(C)C 2340363351 PXYSCXGAWRPSOX-MRXNPFEDSA-N 271.489 4.512 30 10 CJEE CC1CCC(C=O)(Cc2ccccc2C2CC2)CC1 2341681782 OEWODALOELRIJB-UHFFFAOYSA-N 256.389 4.502 30 10 CJEE O=C(CCCCC(F)(F)C(F)(F)F)CCCC(F)F 2342333337 ALMUZISIRSSQFI-UHFFFAOYSA-N 296.226 4.749 30 10 CJEE C#Cc1c(F)cc(N[C@H](CC)CCC(C)C)cc1F 2344192956 GFFGGKZWKSHZTM-GFCCVEGCSA-N 265.347 4.573 30 10 CJEE C#Cc1c(F)cc(NCCCCCCCC)cc1F 2344197952 RJWGRLDXMDDIIK-UHFFFAOYSA-N 265.347 4.719 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CCCC(F)(F)C1)NCC 2344347008 XXPBUMALEBRSPV-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE CC1(C)[C@@H]2CC[C@@]1(C)CN(CC1(CS)CCCCC1)C2 2354117604 PCDWBMZQACFDOK-WBVHZDCISA-N 295.536 4.625 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H]1C[C@H]1CC(C)C 2359893745 QKMHAMYHYKHLFZ-QRVBRYPASA-N 275.480 4.621 30 10 CJEE C[C@@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 36921047 WPUWTGGZYHIVRL-FHLIZLRMSA-N 284.447 4.814 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155090 CZGLSLKVGUVZQT-JJRVBVJISA-N 289.444 4.896 30 10 CJEE N#Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1Cl 37282068 CUYYOHHXVRLOCX-GZBFAFLISA-N 288.822 4.982 30 10 CJEE N#C[C@@H](CCc1ccccc1)c1c(F)cccc1Cl 57686366 WDLLZEYIXHJSEH-CYBMUJFWSA-N 273.738 4.719 30 10 CJEE COc1ccc([C@H](C#N)[C@@H](C)c2ccccc2)cc1Cl 57747034 SVGZODNZVCFFTO-SWLSCSKDSA-N 285.774 4.759 30 10 CJEE CCCCCCCCOc1ccc(C)cc1[C@H](C)O 59295538 OQOJLQCHKKTIJI-HNNXBMFYSA-N 264.409 4.788 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc([N+](=O)[O-])c1 59456428 OEZHCWXYDRITCM-ZDUSSCGKSA-N 264.369 4.756 30 10 CJEE N#Cc1ccc(Nc2cccc3cccnc23)cc1Cl 61850685 PUTIFFBKMKORMD-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N#CC1(c2ccc(F)cc2F)CC2(CCCCCC2)C1 86543343 JBWHTGPROGSFRK-UHFFFAOYSA-N 275.342 4.861 30 10 CJEE CCN(CC(C)(C)CS)c1cccc2ccccc12 94578505 LUUPDCUQSZFKTQ-UHFFFAOYSA-N 273.445 4.622 30 10 CJEE CC(C)c1cccc(C(C)C)c1OC[C@@H](C)CS 94585521 WVYOLVSSPHVHPC-CYBMUJFWSA-N 266.450 4.878 30 10 CJEE Cc1ccc(SCC2(CS)CCCC2)c(C)c1 94588768 SZYDBBKCFIDICC-UHFFFAOYSA-N 266.475 4.886 30 10 CJEE Cc1ccc(C#N)c(NCC2(CC(C)C)CCCC2)c1 94877941 OBMPSGGKDAFDFI-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE C=CCCC[C@H](N)c1cccc(OCc2ccccc2)c1 97219979 XURNSDLVLFZZOA-IBGZPJMESA-N 281.399 4.622 30 10 CJEE Cc1cccc(SC2(C#N)CC(c3ccccc3)C2)c1 97394323 KSZAPKJJQMMEEA-UHFFFAOYSA-N 279.408 4.927 30 10 CJEE CCO/C(=N\Sc1ccc(Cl)cc1)c1ccccc1 103651052 JQDGORDGTMCXAB-ICFOKQHNSA-N 291.803 4.830 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC(C)C)cc1 104048181 UNLLFROBHOZDBV-QGZVFWFLSA-N 264.409 4.868 30 10 CJEE CCCCCCCCOc1ccc(C(N)=S)cc1Cl 104171476 ZLRIBFSWSRDDQF-UHFFFAOYSA-N 299.867 4.714 30 10 CJEE CCC#C[C@H](C)Cc1c(C)c(Cl)cc(C)c1OCC 107650323 XSZZEEXLXFHQOC-LBPRGKRZSA-N 278.823 4.948 30 10 CJEE CCCOc1c(C)cc(Cl)c(C)c1CCCC#N 107651587 ZTKWAXMPBIGBNJ-UHFFFAOYSA-N 265.784 4.592 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CCNC1 109652744 ZEUSTAVISRLMCL-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@](C#N)(Nc2cccc(Cl)c2)C1 110028759 DWJAPNUUNPZBLY-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CCCCCCCCCn1cc(-c2ccc(N)cc2)cn1 110175998 PQRXURFDQSMDMX-UHFFFAOYSA-N 285.435 4.883 30 10 CJEE CCN(c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 110257805 WGQXUWJBAOAQCD-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE N#Cc1ccc(Nc2ccc(F)c(Cl)c2)c(Cl)c1 110465240 VBAKUTSNPQVCMX-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)cc1 112888474 BKUXDKDYMSORJL-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCO[C@H](CN)c1cccc(Cl)c1 112964913 WVRPMYGPKXEILP-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE CCCCCCCCCCN1CCCN[C@H](CCC)C1 114077424 CHQUBFVQOUXVFO-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCN1C[C@H]([C@@H](C)CC)NCC1(C)C 115238726 OMDAIEGDXVKEQJ-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)[C@H]1COc2ccccc21 124207750 VVBRAYDKRJZSBX-INIZCTEOSA-N 274.404 4.872 30 10 CJEE CCCCCCCC[C@]1(O)CSCC(C)(C)C1 124957532 KNNJLWDPOQOHLP-OAHLLOKOSA-N 258.471 4.631 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccnc2ccccc12 127699742 QVDYQHKLZRDHRD-KRWDZBQOSA-N 285.431 4.889 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCOC1 129958563 UMZVCEHGLRMWGU-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(C)cc(N)c1 137119242 ONKPLFKLHZFDPV-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CCCCCCCCCCNCc1cn2ccsc2n1 148705565 PDRVMGUPPWYZRX-UHFFFAOYSA-N 293.480 4.626 30 10 CJEE CCCCCCC[C@@H](N)c1cc2c(s1)CCCC2 158004587 QJLORVZHWLVMIB-CQSZACIVSA-N 265.466 4.987 30 10 CJEE Cc1ncsc1CCC1(C#N)CCCCCCC1 158873074 VLKXDGCDUUJXDV-UHFFFAOYSA-N 262.422 4.638 30 10 CJEE CCCCCCCCNc1ccc(F)c(OC)c1 160059064 ZTQNGCIEDLIPQV-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CCCCCCCCCOC(=O)c1cccc(N)c1Cl 161359253 VUMUJQDHZYSUGA-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCCCCCCCCCCN1CCC(=O)[C@@H](C)C1 168873890 OJWDXTAYBTUWJH-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCCC/C(C)=C/B1OC(C)(C)C(C)(C)O1 210690310 BIKHVTSJUUAMPX-OUKQBFOZSA-N 252.207 4.535 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3s2)C1 222235751 LPPGCMULUPQTTF-GYSYKLTISA-N 288.441 4.717 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1OCC[C@@H]1C 229029883 GAJBQXBKSABGBM-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H](C)C1 229224154 VHMXXWVCVLMZQH-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CC(C)c1cccc(Nc2ccc(C#N)c(F)c2F)c1 232747549 XRMWPUBFPSBJPT-UHFFFAOYSA-N 272.298 4.703 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)c1ccccc1 232917703 NHXQYOMMHCKVDI-GOSISDBHSA-N 276.420 4.820 30 10 CJEE C=CCCCCC[C@H](CSC1CCCCC1)NC 234448780 ZMANWTBJUCAGIX-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE C[C@H](CCS)CCSCc1ccccc1Cl 235448349 WTMPPTMWLSWDIQ-LLVKDONJSA-N 274.882 4.919 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCc3ccccc32)c(Cl)c1 235997258 JKKPDHZDMRVOTN-SFHVURJKSA-N 281.786 4.599 30 10 CJEE CCCCCCCCCCN1C[C@](C)(C2CC2)NC[C@H]1C 250839131 WUIVGIVRCPYZCJ-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H]([S@](=O)CCC(C)C)C1 300445633 JJMVWXZURNBXLP-IHSNIMORSA-N 297.508 4.526 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCC(F)(F)C1)NN 302419032 LMFZCCIVKMKOGO-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC(F)(F)C1)NC 306038230 SVKRZWGEKSYXJV-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CCCCCCCNc1ccc(C#N)c(Br)c1 310181631 UFVWORIXKFYCOA-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE C=C([C@H](CCCCCCCC)NCC)C(F)(F)F 311208523 NWLBRBJGFFMUTG-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE Cc1cc(OCCCC(C)(C)C)c(C)c(C)c1C#N 311388969 CMDWBGHPRLCWMY-UHFFFAOYSA-N 259.393 4.689 30 10 CJEE CCC1CCC([C@]2(C#N)CCc3ccccc32)CC1 311392164 RBRSOXVHJJFOCZ-JFUPDXTOSA-N 253.389 4.611 30 10 CJEE N#Cc1ccc(COCC2CCCCCC2)c(Cl)c1 311481702 LDFGSRUARSBPEZ-UHFFFAOYSA-N 277.795 4.699 30 10 CJEE CC(C)(C)C#CCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 312199530 CBBSBHISHXTJDZ-GKVPXEHWSA-N 272.432 4.602 30 10 CJEE C[C@@H]1CC[C@H](CNC(C)(C)C)[C@H](CC#CC(C)(C)C)C1 312216301 VOOQBIZUEDJYHT-BRWVUGGUSA-N 277.496 4.867 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@@H](C(F)(F)F)C1 312279777 NWEPIVVYQUEDFC-KGLIPLIRSA-N 296.373 4.600 30 10 CJEE CCCC[C@@H](C)c1nc2cc(C#N)ccc2n1C1CC1 312338402 CPXJVZBWWYBSEO-GFCCVEGCSA-N 267.376 4.537 30 10 CJEE Cc1cccc(N[C@@H]2CCCCC[C@@H]2C#N)c1Cl 380616824 METPDSIHRYJINJ-CHWSQXEVSA-N 262.784 4.533 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)c1ccc(C(F)(F)F)cc1F 384768125 BKKSDJYCTQHOOV-YGRLFVJLSA-N 285.284 4.816 30 10 CJEE C[C@@H](C1CC1)N(Cc1ccccc1)C[C@H](C#N)C1CCCC1 397451124 KCWYWMLJCKRXFU-JXFKEZNVSA-N 296.458 4.617 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H](CC)CC(F)(F)F 402560282 LCTUVOWBXZGHDA-JSGCOSHPSA-N 279.390 4.936 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](OC)C1 686347864 CBZPPFFQRWGBDH-ZACQAIPSSA-N 269.473 4.530 30 10 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4.532 30 10 CJEE CC1(C)C[C@](C#N)(C[C@H]2C[C@H]2C2CCCCCC2)CO1 2200495639 ZXMJOULKFOJDNT-RYRKJORJSA-N 275.436 4.692 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@H]2CCC3(CCCCC3)C2)N1 2201218794 SGFSDTPHLVNXTK-KKUMJFAQSA-N 294.508 4.597 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1ccccc1F 2203785281 MMJRMJZTIYOOBJ-GOSISDBHSA-N 275.411 4.840 30 10 CJEE CCCCCC#CC[C@H](NCCC)C1(C2CCC2)CC1 2203789830 FQEYIFCMXZCPDS-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H](C)CC(F)(F)F 2203811582 XWWJOQNSCLDIIW-GJZGRUSLSA-N 291.401 4.917 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1 2203819708 PNJFGNKTMYNQOX-QYZOEREBSA-N 275.480 4.765 30 10 CJEE CCCCC#CCC(=O)[C@H](O)CCCCCCCCC 2203847958 MFUXMOHBENVZBX-GOSISDBHSA-N 280.452 4.641 30 10 CJEE CCCCCC#CCn1cc(C=O)c2ccc(Cl)cc21 2203885036 WYWHQIKQEOAAGK-UHFFFAOYSA-N 287.790 4.691 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)c1nnc(C2CCCC2)s1 2204833948 ZGWCWKCUWGFOPE-MRXNPFEDSA-N 289.448 4.557 30 10 CJEE CCCCCCCCCC(=O)CCC1CCC(N)CC1 2205424024 GCOAAQJGEOMXFE-UHFFFAOYSA-N 281.484 4.994 30 10 CJEE CCC#CC[C@H](NCC)c1ccc(-c2ccccc2)s1 2206186678 KXVQLPGSTMSDBK-INIZCTEOSA-N 283.440 4.869 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(F)cc1COC 2206295535 YXIXKORMOFYHPY-QGZVFWFLSA-N 282.399 4.540 30 10 CJEE C=CCCCCCC[C@H](O)C1C2CC3CC(C2)CC1C3 2206992217 WOGZTOQORBHFOQ-YXOSVLIBSA-N 276.464 4.946 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CCO[C@H](C)C1 2207378966 WLRKALQJIKSWDT-MSOLQXFVSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@@H](CC)CN 2207397576 USDLSOSXULUQEF-ZWKOTPCHSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H](O)CC(C)C 2207402374 BOPOWEVPVCHQAD-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCCCC[C@H]1O 2207427795 QBIRKPJQBIFZFQ-ZWKOTPCHSA-N 281.484 4.529 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](O)CCCCCCCC 2207444146 HDQGPPIVEHBUSJ-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCC2CC2)C1 2214548496 CMPXZYOWQDTSID-KFWWJZLASA-N 251.439 4.628 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1C[C@@H]1C(C)(C)C 2220080652 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4.530 30 10 CJEE C=CC[C@H](C)OCCC(CC)(CC)CN[C@H](C)CC 2230203266 LVVLUWVMKFLQQA-CVEARBPZSA-N 269.473 4.552 30 10 CJEE C=C(CNCC)COCCCCCCCCCCC 2231023961 GAGBYKVFICZGKP-UHFFFAOYSA-N 269.473 4.700 30 10 CJEE FC(F)(F)[C@@H]1CCC[C@@H](OCC2(CS)CCCC2)C1 2231395993 ASJNMKBBYVWXNY-VXGBXAGGSA-N 296.398 4.614 30 10 CJEE CCCCCCCC[C@@]1(C)N[C@H](C2CCCC2)CO1 2231855608 LFTWAOLDZHOQIU-IRXDYDNUSA-N 267.457 4.632 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233633773 FVPGJWLSGOXQGS-VSZNYVQBSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCC[C@@H](Cc1scnc1C)NCC 2235514661 WQJJELCRMXGKOD-INIZCTEOSA-N 294.508 4.889 30 10 CJEE C=CCCCCCCCC1(N)CC2(C1)C(F)(F)C21CC1 2235519362 PBMHTJWQXYPHFC-UHFFFAOYSA-N 283.406 4.810 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(O)C1(C)CCCC1 2235541302 GVZYHMXTSJZGQA-SJLPKXTDSA-N 281.484 4.562 30 10 CJEE CCCCCCCCCCCO[C@@H](C(=N)NO)C(C)C 2239487014 LZOAHEVEYPVZSW-OAHLLOKOSA-N 286.460 4.514 30 10 CJEE CCCCCCCCCCO[C@H](C)C(=O)OC(C)(C)C 2239498362 IWCBIFSAXQDFIG-OAHLLOKOSA-N 286.456 4.874 30 10 CJEE CCCCCCCCCCCCOCCC(F)(F)CN 2239556055 DRBUSNOCXYAQBL-UHFFFAOYSA-N 293.442 4.908 30 10 CJEE CCCCCCCC[C@](C)(N)[C@@H]1CCOC2(CCC2)C1 2240628138 LMQFRXXQBCVDQH-SJORKVTESA-N 281.484 4.804 30 10 CJEE C=C(C)C[C@H](N)c1cc(Br)cc(C(C)C)c1 2243088119 KSTYOACETPSVHI-AWEZNQCLSA-N 282.225 4.539 30 10 CJEE C=CCCCCCCCSc1ccnc(Cl)n1 2250016889 RKJYJTHSUHQNET-UHFFFAOYSA-N 270.829 4.749 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCC[C@H]2C[C@H]2C)C1 2254587843 RIPQYIJCCMYZGG-WCXIOVBPSA-N 250.426 4.988 30 10 CJEE N#Cc1cc(Cl)ccc1SCC1(C(F)(F)F)CC1 2255166268 WRMUOSPSGAWPFI-UHFFFAOYSA-N 291.725 4.646 30 10 CJEE FC1(F)CCCC[C@@H]1CSC[C@H](CS)CC1CC1 2256113391 LBDMVEOFSITNLX-QWHCGFSZSA-N 294.476 4.891 30 10 CJEE CC(C)(C)C#CC=CCc1cc(F)c(Cl)c(F)c1 2256694878 ULQZVPPYXVMJBX-UHFFFAOYSA-N 268.734 4.766 30 10 CJEE Cc1cc(C2=CC(=O)C[C@@H](C)C2)cc2ccsc12 2256876508 XQGYKTRAUSKXJG-JTQLQIEISA-N 256.370 4.592 30 10 CJEE CCCC[C@H](CC)OC[C@H](CS)c1ccccc1 2258818122 OOQURPPQJIAVDA-CVEARBPZSA-N 266.450 4.685 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1CCCCCC1(F)F 2259188261 SGGFTDSAYUVBFH-KGLIPLIRSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCCNC1CC[Si]2(CCCC2)CC1 2259199007 OGIFREVJJVHJKO-UHFFFAOYSA-N 265.517 4.727 30 10 CJEE C=C(C)CCCC[C@H](O)C[C@H](C(F)F)C(C)(C)C 2259207742 XIIQIERHJYCQGN-QWHCGFSZSA-N 262.384 4.801 30 10 CJEE C=C(CNC(C)(C)C)CSC[C@H](CC)CCCC 2263774464 CBSDPSLIFLBXCL-OAHLLOKOSA-N 271.514 4.880 30 10 CJEE C=CCC[C@@H](CCC12CC3CC(CC(C3)C1)C2)NC 2265160071 XHSORWPJFMDVKG-LESVLKBLSA-N 261.453 4.537 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@@H]1CC12CCC2 2268411882 QHZXTJRVNLRQLO-KBPBESRZSA-N 273.445 4.955 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1C[C@]1(C)COC 2269218979 RQRANZOBHQYQJY-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C(=O)O 2271493781 WJCBRYPHSHBSJF-HZSPNIEDSA-N 284.465 4.601 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCCCC1(F)F 2271783994 AKSGAMBBGVATIM-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC 2271798936 RGJPVJMJKXUKNO-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1cc2cscc2s1 2274064930 ZLKCYBKFVFCQLD-AWEZNQCLSA-N 289.469 4.807 30 10 CJEE CC1(CNCC#CC2CCCC2)CCCCCCC1 2274115527 GYADTGXQSSLYEF-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CCC1(C)C 2276293214 RCRDLZHIHOTOEZ-CVEARBPZSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)SC)OCCCN 2277224113 GBWIMQNLTUKUCC-HNNXBMFYSA-N 289.529 4.613 30 10 CJEE CCCCCCCC[C@H](O)C#Cc1ccccc1Cl 2277848910 KTBQJYZWVCURFY-INIZCTEOSA-N 278.823 4.803 30 10 CJEE C=CCCCCCC[C@H](N)c1nc2ccccc2s1 2277981573 KRGFKPRYLJOMQS-ZDUSSCGKSA-N 274.433 4.823 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ncccc1C 2278166817 QAUDFDSDZAGQSR-KRWDZBQOSA-N 263.425 4.738 30 10 CJEE N#CC1([C@@H](O)c2csc(C3CC3)c2)CCCCCCC1 2283065285 ZZUUNEJVZZXABJ-INIZCTEOSA-N 289.444 4.913 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)ccc1C 2284071070 OHDYUWLJUFGNBM-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCCC[C@H]1CNC1CC1 2284072708 IBSSFDZEUIFBPM-SJORKVTESA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cc(Cl)cc(F)c1F 2284106070 RKJSBGBZKOKZQG-UHFFFAOYSA-N 296.744 4.797 30 10 CJEE CO[C@@H](CSCc1ccc(C#N)c(C)c1)CC(C)(C)C 2287301493 NWVIGAWKGSRTNK-MRXNPFEDSA-N 291.460 4.551 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCOC(C)(C)C1 2287382609 AQGQEZDYQGYKBJ-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCOCC1(C)C 2287465603 LDMKAZDAQGILMR-GOSISDBHSA-N 281.484 4.555 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)(C#CC2CCCCC2)CC1 2289614557 PLIGYKHZBPFROR-IEBWSBKVSA-N 276.464 4.928 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1cc2ccccc2s1 2289672418 QORXVUFXVRPWBC-INIZCTEOSA-N 283.440 4.746 30 10 CJEE Cc1cc(C#N)ccc1CSCC1(C(F)(F)F)CCC1 2290346686 BXWQWWURBRODBM-UHFFFAOYSA-N 299.361 4.833 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1cc(C)c(C)s1 2291712100 SQLANYHBJLYQME-AWEZNQCLSA-N 296.432 4.644 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)C1CCC1)OCC(=O)O 2291727414 MFRQWUDNGZFZTR-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(CC1CC(F)(F)C1)OCCN 2292959789 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C=CC[C@](C)(CC)[C@H](O)c1c(Cl)ccc(F)c1F 2321225566 QOWJVGPWKZBSEN-KGLIPLIRSA-N 274.738 4.644 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329817573 PMRXNHWGFNVVSM-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Sc1nnc(Cl)c2c1CCCC2 2335181703 WMIKTWPSPATDIY-UHFFFAOYSA-N 294.851 4.622 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(Cl)c(OC)c1 2335187903 MLUXDZKILYDZBI-LBPRGKRZSA-N 279.811 4.520 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1NC 2335191743 RSGAHZSDOQDKAE-YHUYYLMFSA-N 283.525 4.877 30 10 CJEE CCCN[C@H](C#CC1CCC1)C1CCCCCCC1 2337423126 WINZYBMIPWHFOF-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CC(=CCN(CCC#N)CC(C)C)CCCC(C)C 2338461118 XSURZBXEWYREOE-UHFFFAOYSA-N 264.457 4.631 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1C[C@H]2CC[C@@H]2C1 2338736987 ZQDKKQBFUGMZCG-NUJGCVRESA-N 261.453 4.559 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2341885425 OUHUDKAADGILDW-ZWNOBZJWSA-N 289.728 4.586 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cccc(C(C)(C)C)c1 2341896723 NBOURSOTPWDDFB-IAGOWNOFSA-N 257.421 4.601 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@H]1CC[C@H]1C1CC1)NCCC 2342281828 UCAVBQBZGYDRSA-RANZSIQMSA-N 263.469 4.783 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2342328774 LYASFLOBWCMZMG-ZANVPECISA-N 291.744 4.832 30 10 CJEE C=C(CC)CC(=O)[C@H](c1ccccc1)C1CCCC1 2342370112 IQAUXTNLVILYOI-GOSISDBHSA-N 256.389 4.886 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)c(C)cc1OC 2344343949 QNBGGKZNUPFGEZ-CVEARBPZSA-N 281.827 4.649 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(F)ccc(OC)c1Cl 2344463370 DVWZFBKCQPUAFJ-HUUCEWRRSA-N 286.774 4.514 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC2(CCCCC2)C1 2352023104 TVLRGLSSTXSRKX-MRXNPFEDSA-N 282.449 4.644 30 10 CJEE C=CC[C@@H](CC1CCC(CC(F)(F)F)CC1)NCC 2353164242 FNLAANSZXOYJIE-RUXDESIVSA-N 277.374 4.690 30 10 CJEE O=C1C=CCC[C@@H]1CC1CCC(CC(F)(F)F)CC1 2353243961 YBSWEJTWQGDWFX-WXRRBKDZSA-N 274.326 4.671 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@@]12CCC[C@@H]1C2 2357120538 QMWUVMPEOIIQLI-NUJGCVRESA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)[C@@H](C)CC1CCC1 2360327400 NOKBQRXWANDRCV-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](O)[C@@](CC=C)(c1ccccc1)c1ccc(C)cc1 6788562 OSKIJTKKSVPDBV-SFTDATJTSA-N 292.422 4.794 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)c(Cl)cc2Cl)nc1 21055158 PCMHZACRLUNUAW-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE Cc1ccccc1/C=C1/CCCc2ccccc2C1=O 33286984 ACZBCHAUHNAVHQ-LGMDPLHJSA-N 262.352 4.598 30 10 CJEE COc1ccc(/C=C2\CCC/C(=C/c3ccco3)C2=O)cc1 33352508 RLCAXHXQSJKNAL-SWPSDAPNSA-N 294.350 4.508 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc(-n3cccc3)cc2)cc1 33372342 GOUKIWYMXQWEEX-JYRVWZFOSA-N 287.362 4.682 30 10 CJEE N#Cc1ccc(Sc2cccs2)cc1C(F)(F)F 36805641 BUUGPFXDDDVTME-UHFFFAOYSA-N 285.315 4.790 30 10 CJEE Cc1ccc(Cl)c(Oc2c(C#N)cnc3ccccc23)c1 36913473 BCWNGVIHNJDDHM-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 37253350 RCNOUWLMPNUVCT-NSHDSACASA-N 262.784 4.592 30 10 CJEE C=CCSc1ccccc1NCc1cccc(C)c1 37496224 FVMPWPKQVUZVOD-UHFFFAOYSA-N 269.413 4.885 30 10 CJEE CCCCCCCNc1ccc(OC)c(OC(F)F)c1 59462174 VKZHZBIXAHHKLW-UHFFFAOYSA-N 287.350 4.679 30 10 CJEE N#C[C@H]1CCCC[C@@H]1c1cc(Cl)cc(Cl)c1 62625233 XEHYNDPYWLRFJL-RNCFNFMXSA-N 254.160 4.791 30 10 CJEE CCCOc1ccccc1Oc1ccc(C#N)cc1Cl 62793922 CWJSMOGWPATQMG-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 71132215 HVELATUYZLIYTM-AAEUAGOBSA-N 297.320 4.925 30 10 CJEE C=CCCC[C@H](N)C1(c2ccccc2)CCCCC1 71277414 KTMUXBDPNJLEQR-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE CCCc1oc(-c2cc(CC)ccc2OC)cc1CC#N 77081871 UFARLWPZMRRNPO-UHFFFAOYSA-N 283.371 4.536 30 10 CJEE SCc1c2c(nc3c(Cl)c(Cl)ccc13)CCCC2 82480088 CTLKUQPPRMYBRG-UHFFFAOYSA-N 298.238 4.850 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2sccc2Br)C1 83791873 PUVPNDJRDPAQFT-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccc(F)cc1Cl 86114873 IIKCVMZFMIHZDI-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#CC1(Cc2ccccc2Br)CCCCCC1 87945781 UQUGGIDBXLBAEA-UHFFFAOYSA-N 292.220 4.856 30 10 CJEE C[C@H]1CC[C@@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 87994067 KQQCCAOBGBHLIW-SMDDNHRTSA-N 268.385 4.585 30 10 CJEE CCCC[C@@H](CC)C[C@@](C#N)(C(C)=O)c1ccccc1 91327432 GCWRWNGSBHNAEY-SJLPKXTDSA-N 271.404 4.643 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccccc1C1CC1 94527890 XDEYDLRRJHRITD-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H](C)CC1 94577669 KXOQIKCPAXQYCU-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE Cc1cc(OCCCCCCS)ccc1C(C)C 94582778 MUXVNGODMVLJDI-UHFFFAOYSA-N 266.450 4.987 30 10 CJEE CCC(CC)(CS)COc1ccc(Cl)cc1C 94583134 JAYBVRCHGUHGFC-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2cc(C)ccc2o1 97417189 AGELRFZNQQNACD-INIZCTEOSA-N 269.388 4.585 30 10 CJEE CCCCCC(CCCCC)N[C@@H]1CCC[C@H]1C#N 103983999 PHJSEFFMGPPZJI-DOTOQJQBSA-N 264.457 4.797 30 10 CJEE CC1(C)C/C(=N/O)c2cnc3ccc4ccccc4c3c2C1 104205523 WBKLTQPDCLZYHH-FXBPSFAMSA-N 290.366 4.539 30 10 CJEE CCCCCCCOCc1cc(C)c(CNCC(C)C)o1 110170278 ULPKCOSWEVJVHH-UHFFFAOYSA-N 295.467 4.821 30 10 CJEE CCc1cccc(Nc2ccc(Cl)cc2C#N)c1 110253244 SJFOJCTZHIBRHQ-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccccc1OC 110446469 MUHDSIQNXATHOD-MRXNPFEDSA-N 263.425 4.706 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C)cc1/C(C)=N/O 111780329 NNIUUQSTYFSJKF-MZJAIECTSA-N 275.392 4.541 30 10 CJEE CCCCCCCCCN1CCC[C@@H]([C@@H](C)NCCC)C1 111890933 GOTNEUKMSLCXLH-RTBURBONSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCC[C@H](O)CCCCC(=O)O 111923991 GEXGFYJRBXKDLJ-INIZCTEOSA-N 286.456 4.913 30 10 CJEE CCCCCCCCCCN1CCCN[C@H]([C@@H](C)CC)C1 114076966 KRJHMONHMRZJQV-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cncc(F)c1 124040373 LLCNGNOPDFMTER-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCCCc1nncn1C1CC1 136138526 ROTBSOCBUBSACY-UHFFFAOYSA-N 263.429 4.686 30 10 CJEE CCSc1cccc(O[C@H]2CCCC[C@@H]2C)c1C#N 136699963 ZUSIBDBWTALGIR-JSGCOSHPSA-N 275.417 4.628 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1OCCc2ccccc21 139389347 CVWDCPWCYSDWSA-RBUKOAKNSA-N 289.463 4.768 30 10 CJEE CCCCCCCCC[C@H](N)c1scnc1C 139425253 ZCYYHCQWIJZVPO-ZDUSSCGKSA-N 254.443 4.592 30 10 CJEE CC1(C)CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 164875021 MDOUSJJEJMTXAA-GFCCVEGCSA-N 282.309 4.568 30 10 CJEE Cc1ccccc1NC(C#N)(CC(C)C)CC(C)C 165899859 VQSLHOGDENTEJY-UHFFFAOYSA-N 258.409 4.762 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1(OCC)CCC(C)CC1 166151406 WSQKSJFDQOLEHQ-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)[C@H]1CCOC1 166152649 NIRAQOBASIGJIN-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCN1CCC(=O)[C@H](C)C1 168873784 OJWDXTAYBTUWJH-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccs1 184102124 YMKBOFCRYKOIAM-MRXNPFEDSA-N 298.455 4.790 30 10 CJEE Cc1ccc(CS[C@H](C)c2ccc(C#N)cc2)c(C)n1 184824370 BUAHEDIVHSLLFU-CQSZACIVSA-N 282.412 4.565 30 10 CJEE CCCCCCCCCCN(C)[C@]1(CN)CCC[C@@H](C)C1 218844637 FEKHFSGKZNQGNT-RTBURBONSA-N 296.543 4.967 30 10 CJEE CCCCCCCCO[C@H]1[C@@H](C)C[C@@H](C)C[C@@H]1NCC 219568443 WTJHSWRHVAPXDM-OWSLCNJRSA-N 283.500 4.776 30 10 CJEE Cc1cc(Oc2cc(F)cc(C#N)c2)cc(C)c1Cl 227634989 XABLWYWZDRQERF-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCCCCCCCCCNCC(C)(C)CCCO 227917107 RXVAXXVATDYQSG-UHFFFAOYSA-N 271.489 4.515 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN2CCC[C@H]21 228030660 NHJNUJKOYOHODD-RBUKOAKNSA-N 295.511 4.897 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)(C)C 228822790 USGCVKFMZKAYFQ-BBRMVZONSA-N 263.400 4.857 30 10 CJEE CSc1cccc(Nc2cc(F)ccc2Cl)c1C#N 231820287 QKHUFUXTLVKTLL-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccoc2C)C1 233308616 BBSNLYGVGAJORQ-NFAWXSAZSA-N 263.406 4.789 30 10 CJEE CCCCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1C 250815056 IXFCVTBMXCCPRE-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252901921 LWDNPQVQLSBCIS-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE C#C[C@@H](NC(CCCCC)CCCCC)C(C)C 302439037 WHFUJYRHQZGRJH-QGZVFWFLSA-N 251.458 4.763 30 10 CJEE CC1(C)OB(C2=CCCCC23CCCCC3)OC1(C)C 306944490 YBWZVJHJIJUIMN-UHFFFAOYSA-N 276.229 4.679 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)s1)C(F)(F)F 310142445 COQKPDHGVRWTQP-SNVBAGLBSA-N 283.746 4.561 30 10 CJEE CC(C)CC[C@H](Nc1cc(Cl)ccc1C#N)C1CC1 311414314 AKTRTNMCXXDKDY-HNNXBMFYSA-N 276.811 4.838 30 10 CJEE CCC1CCC(C#N)(c2ccnc3ccccc23)CC1 312568067 IUYKPXRHIACVCY-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE Cc1cc(C#N)cc(NCc2cc(Cl)sc2Cl)c1 312612788 YHFHGANEUKRTLN-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H]2CCOC3(CCCCC3)C2)C1 312615210 XKDWDXCWDYEPCG-IKGGRYGDSA-N 275.436 4.836 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(C)c(C)n1 316390613 KTABCGYSYMXIIP-INIZCTEOSA-N 262.441 4.710 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CC1 380958361 BTSXYNXTTKDAMI-OWCLPIDISA-N 275.436 4.834 30 10 CJEE C=CCN(c1cccc(Cl)c1[C@@H](C)NC)C1CCCC1 383783388 XQXGBZPPFNOVST-CYBMUJFWSA-N 292.854 4.555 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cnc(Cl)cc2Cl)C1 385547642 OTNQTMCDENWVNT-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE N#C[C@@H](CNc1c(Cl)cccc1Cl)C1CCCC1 397412662 YEVVSUKCNSLJFR-NSHDSACASA-N 283.202 4.735 30 10 CJEE CN(CCC(C)(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 399807066 DQYTUMMNOQBQQU-HRCADAONSA-N 278.484 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4.852 30 10 CJEE C=CCCCOC(=O)C=Cc1cccc(Cl)c1Cl 2257416195 AIYAHBFMYIVSMC-UHFFFAOYSA-N 285.170 4.516 30 10 CJEE CCCCCCCCC[C@@H]1[C@H]2CC[C@@H]1C[C@H](N)C2 2258012101 OGSYXTJQDZVSGP-GANOOXTDSA-N 251.458 4.891 30 10 CJEE C#C[C@@H](c1cccc(Cl)c1Cl)N1CCCCCC1 2258112404 KEQHMTFNFXWACY-AWEZNQCLSA-N 282.214 4.544 30 10 CJEE C=CCCCS[C@H](c1cccc(Cl)c1)[C@H](N)CC 2259004364 VBTYXUBFZCEEOJ-HUUCEWRRSA-N 283.868 4.818 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@]12CCC[C@H]1CC2 2260517238 QNCFYHOBCFFARY-YESZJQIVSA-N 250.426 4.844 30 10 CJEE C=CCCCCCC[C@H](CCC1CC(C)C1)NC 2261499641 NHSVKXMGZLRNBL-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)CC(C)(C)OC 2265573655 YZAZKEWCMRQEHS-IBGZPJMESA-N 291.501 4.599 30 10 CJEE CC[C@@H]1C[C@H](C)SC(=NCC(C)(C(C)C)C(C)C)N1 2268554042 IXZGGOSVCPBCDI-UONOGXRCSA-N 284.513 4.554 30 10 CJEE CC(C)(C)C#CC=CC[C@H](CO)C1CCCCCC1 2268726447 PXQFYCRXZVEBBM-QGZVFWFLSA-N 262.437 4.561 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C(C)(C)C(C)C 2268737161 DXGMEHAXLCNYJF-MRXNPFEDSA-N 263.469 4.643 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1C[C@]1(C)COC 2269291649 VJWWLIAYOYXEQV-NVXWUHKLSA-N 266.425 4.535 30 10 CJEE C=CCCCCCCCSc1cccc(=NCC)[nH]1 2271511680 CGIYFWWHHZLFQD-UHFFFAOYSA-N 278.465 4.554 30 10 CJEE C=C(C)CCCC[C@H](CCc1ccccc1C)NC 2271781074 LGJFZYDMJOKXEM-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=C[C@H](C)CCN[C@H]1CCCC[C@@H]1c1ccccc1 2273026859 PXAYUPCVLNEMIL-JQHSSLGASA-N 257.421 4.515 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(CC2CC2)c1 2273863677 YYOLRNRJPNLKIY-UHFFFAOYSA-N 254.373 4.712 30 10 CJEE CCCCC1CCC([C@@H](O)C#CC2CCCC2)CC1 2274052667 ILDGQSCKNAFHTD-ABHNRTSZSA-N 262.437 4.538 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C(F)(F)F)CCC2)C1 2274540106 OXAMXXWBJVGQGP-UTUOFQBUSA-N 291.382 4.781 30 10 CJEE C=C(Cl)C[C@@](CC)(CC1CCCCC1)OCCCN 2276217769 XCXGFTCRGSLJHA-INIZCTEOSA-N 287.875 4.614 30 10 CJEE N#CC1(c2ccc3cc(Cl)ccc3n2)CCCCC1 2277659110 TURLGZFDKBVWNL-UHFFFAOYSA-N 270.763 4.614 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC(C)(C)O1 2278238852 UGUQYJBURZIQQD-HOTGVXAUSA-N 269.473 4.673 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@H](C(C)C)C2)cc(C)c1C#N 2280570365 LWGJKODSSAJDFV-JKSUJKDBSA-N 270.420 4.802 30 10 CJEE CCCc1ccc([C@@H](N)CC=CC#CC(C)(C)C)cc1 2284089801 QXQMAXJBIVRPDE-SFHVURJKSA-N 269.432 4.635 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C(F)(F)C(C)C 2284155204 JWPBLRVWNDDBTJ-HNNXBMFYSA-N 285.422 4.642 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCO[C@H]1CC(C)(C)CCC1=NO 2284933538 XYVLLICYJFTIML-YCPHGPKFSA-N 281.440 4.628 30 10 CJEE C=C(C)CCCCN1CCC[C@@H]1c1ccc(OC)cc1 2287379538 PFNMTGOPVJQXEP-GOSISDBHSA-N 273.420 4.579 30 10 CJEE C=C(C)CCCC[C@H](Cc1cc(F)ccc1F)NCC 2287413314 IVSSNOOKBHLLHZ-MRXNPFEDSA-N 281.390 4.622 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2287470008 MDQDYLOFCOFEKE-UGUYLWEFSA-N 285.422 4.782 30 10 CJEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)[C@@H](CC)CCC 2287643385 ITCKHSYBSNBETE-WMZOPIPTSA-N 291.866 4.886 30 10 CJEE C=CCCCCCCCCN1C[C@H](C)OC(C)(C)[C@H]1C 2287890917 XVEMBJCWKFPREH-DLBZAZTESA-N 281.484 4.791 30 10 CJEE CC(C)CCC[C@H](C)CCC1(C#N)C[C@@H]2CC[C@H](C1)N2 2287973428 BUTPTXHRHBSWLI-XNHLSEOASA-N 276.468 4.653 30 10 CJEE CC(C)(C)c1cccc([C@@H](C#N)C(=O)c2ccsc2)c1 2290190224 KEWICSDSDNOBQG-OAHLLOKOSA-N 283.396 4.536 30 10 CJEE CCCCCC#CCNCc1cccc(C(C)(C)C)c1 2290190432 LNQJUBPUDPZESA-UHFFFAOYSA-N 271.448 4.657 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSCC1(C)CCC1)NC(C)C 2290413021 FBVSRTRKIRLRQP-WBVHZDCISA-N 296.524 4.606 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C=CCC1)OCC(=O)O 2291095647 OGHYYIVQLKNHKH-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](C)(CCC=C)OCCC(=O)O 2291282659 CEYDYKCJYWQACF-KRWDZBQOSA-N 282.424 4.729 30 10 CJEE CCCCCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)OCCN 2292846732 KYYAZIZXRBMPNG-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=C(C)CCC1(OCCCN)CCC(CC)(CC)CC1 2292910513 YAZXAUWHUVFOPS-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=C1C[C@H]1C[C@H](CCCCCCCCC)OCCCN 2293121619 CMQTVDXRGBBQMI-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCN)C(C)(C)C1CCCCC1 2293268508 JYJICXNAVLUOCR-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@](OCCCN)(c1cccs1)C(C)C 2293270210 ZDJFXKVPPLWTCW-KRWDZBQOSA-N 295.492 4.711 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1cc(C)co1 2293501638 KPEYRGPJOHNWPM-INIZCTEOSA-N 281.440 4.745 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCC[C@H](CC)CC1 2294275434 MLYYLTPJNGSYDH-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](NCCC)CCN1C 2295680004 VEZNVGCGHFKCRL-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)c1ccsc1 2295680158 WNBVRTCFCJUENC-SJORKVTESA-N 297.508 4.900 30 10 CJEE CCCC[C@H](CC)C[S@](=O)C[C@@H](C#N)C1CCCCC1 2295709343 BDSAYOFBYJUZLT-VPWXQRGCSA-N 297.508 4.672 30 10 CJEE CC1(C)CC(CS)(CSCc2ccc(Cl)o2)C1 2304520403 IIBQFCYQYQXRRB-UHFFFAOYSA-N 290.881 4.902 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1c(Cl)cc(C)cc1Cl 2307523472 UWBDDBCDXVFEID-HZMBPMFUSA-N 272.219 4.775 30 10 CJEE C=CCC(CC=C)OC(=O)C[C@H](CC)C(C)(C)C 2313537362 QVMQXEURDNQZOW-ZDUSSCGKSA-N 252.398 4.513 30 10 CJEE C=CCCCCC(=O)c1cc(C)c(OC)c(Cl)c1 2313544596 JZBLNWDISJMVBT-UHFFFAOYSA-N 266.768 4.586 30 10 CJEE C=C(C)C[C@@H](NCCC)c1c(Cl)ccc(F)c1F 2319289958 ZYSLPLCFXAJJAM-GFCCVEGCSA-N 273.754 4.625 30 10 CJEE CC(C)(C#N)CCOCCC1CCCCCCC1 2319625205 LKXCTSFOEQVLOJ-UHFFFAOYSA-N 251.414 4.693 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)C1CC(C(C)(C)C)C1 2321100085 YCISTJRKOYSUDU-NDTCATRNSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC(CC)C1)NCC 2321101178 HVGQFVGKBUQMEW-BACDZXNISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]1(C)C[C@@H]1C)NCCC 2321101193 HZQHTFJRJSGBDH-LUKYLMHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(C(C)C)C(C)C)NC 2321104830 JHDUHNPPLDOODC-SJORKVTESA-N 253.474 4.885 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCC(C)(C)C1)NC 2321133885 JSQZZFSFAFVHTG-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1c(F)cccc1Cl 2321145659 ROMSHOVNALQISE-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE C[C@@H]1CCCCCCN1C[C@@](C)(CS)C(C)(C)C 2327080813 QLEMGPHVWPZHJN-ZBFHGGJFSA-N 271.514 4.623 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C1(C)CCCCC1 2327090727 VLHHLHBUYLAXRP-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE C=CCCC[C@@H](NC)c1cccc(SC(C)C)c1 2327781454 JRDCVQVABXXSSH-MRXNPFEDSA-N 263.450 4.804 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2329118941 IIXVHAGJUVTPIM-LUKYLMHMSA-N 269.448 4.853 30 10 CJEE CCC(=NOCc1ccccc1F)c1ccc(CC)cc1 2330249347 WBFXGEKBASBYMC-UHFFFAOYSA-N 285.362 4.719 30 10 CJEE CC(=NOCc1cccc2ccccc12)c1ccc(F)cc1 2330458154 WUQHYHHGRQRYJV-UHFFFAOYSA-N 293.341 4.920 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2330728139 PTEYDTAYSGSZQJ-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE O=C[C@@]1(C[C@@H]2CC[C@H]2C(F)(F)F)CCCCC12CC2 2333469375 FHTKMWQUSYSXEU-SCRDCRAPSA-N 274.326 4.505 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)NN 2333755672 NGGGWYNDURDMSS-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1CCO[C@@H]1C 2335075320 XNBVLAJDCDPBFJ-IXDOHACOSA-N 269.473 4.660 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@@H]1NC 2335096556 OGKIDXFZSSUIKW-BHYGNILZSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)S[C@H]1C[C@@H](NCCC)C[C@@H](C)C1 2335098080 FYICSUMKNUHKFR-HLLBOEOZSA-N 281.509 4.797 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H](C)CC1CC1 2335196267 DLEOGMJILQEEAP-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1sc(C(F)(F)F)cc1C 2338677417 NLMWLXZZFXQBTC-GFCCVEGCSA-N 289.366 4.844 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2)C(C)(C)C 2338788708 YDGBCVFSHUEJGZ-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE C=C(C)CC[C@@H](C)NCC(C)(C)Cc1ccccc1 2339400002 ZHMXZHGTQDYERI-MRXNPFEDSA-N 259.437 4.590 30 10 CJEE CC[C@@](N)(C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339547734 SKONZCTVTHBGHR-MLGOLLRUSA-N 296.241 4.607 30 10 CJEE CCCCCCCCOC[C@@H](CC1CCC1)NCC 2340874424 PSRRFKXLBDUBDO-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cccc(C2CCC2)c1 2341894199 SESFLUVSBXBEHH-QZTJIDSGSA-N 255.405 4.571 30 10 CJEE COCc1ccc(C[C@]2(C#N)CCCC(C)(C)C2)s1 2342137901 WRIUPDPKTGJFAZ-MRXNPFEDSA-N 277.433 4.547 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@@H]2C2CC2)CCCCC12CC2 2342387517 OVMQDMKYNNKWGQ-JFIYKMOQSA-N 260.421 4.742 30 10 CJEE C=CC[C@@H](C)NC[C@@H](c1ccccc1)C1CCCC1 2342470413 OHCYFWYOXFVTCZ-QAPCUYQASA-N 257.421 4.515 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ncc(CC)s1 2344337792 UOIVIXPVPSNXJR-HOCLYGCPSA-N 280.481 4.739 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C)cc1C 2344341716 DSPQVQTZFXAFMN-QZTJIDSGSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cccc(C2CCCC2)c1 2344467347 WEJQOGKIAWQNFW-KRWDZBQOSA-N 258.405 4.980 30 10 CJEE CC1(C)CC[C@H](CCNc2ccc(Cl)c(C#N)c2)C1 2344850886 HDPXIUAUPFVRGO-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C[C@@H]1CC(C#N)(CC[C@H]2CCC(C)(C)C2)C[C@@H](C)O1 2344881798 NUVDLOFZWPTAIJ-RBSFLKMASA-N 263.425 4.690 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]2C[C@@H]2CO1 2355829288 YKOWJXDMTZJANC-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SCCCOc1ccccc1C#N 2360349823 KTXBPEYGDXLDKZ-UHFFFAOYSA-N 287.428 4.581 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1c(F)ccc(C)c1Cl 2360714682 QJQDNXTWXBVNPH-CQSZACIVSA-N 295.829 4.878 30 10 CJEE CCCCCCCCOc1ccc(CC(C)=O)cc1 2518685 BPMKWXQJMBGMBK-UHFFFAOYSA-N 262.393 4.557 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccccc1C#N 21009069 ZYEILHBBQLYVEC-ZBFHGGJFSA-N 256.393 4.575 30 10 CJEE CC(C)CCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 36930411 DWIFLWKHJFEEND-JTQLQIEISA-N 284.186 4.606 30 10 CJEE Cc1ccc([C@H](C#N)CCCOc2cccc(F)c2)cc1 57684772 PMDHBVNBABYYLE-INIZCTEOSA-N 283.346 4.601 30 10 CJEE C[C@H]1CCC[C@H](CCNc2cccc(Cl)c2C#N)C1 70539798 JAMYWFRDJNJUCB-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE CC(C)(C)c1oc(-c2ccc3c(c2)CCCC3)cc1C#N 77084801 JIAMVNALUMOKIR-UHFFFAOYSA-N 279.383 4.995 30 10 CJEE Cc1sc(-c2ccccc2OCC(C)C)cc1C#N 77094381 ARWXJQMVZCBNFO-UHFFFAOYSA-N 271.385 4.630 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCC[C@@H](CC)C2)s1 87973001 OMSHHHHGBABQCL-CJNGLKHVSA-N 261.434 4.963 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1F)c1ccc(C)cc1 90784839 HKJPSQKAKCKDRO-INIZCTEOSA-N 268.335 4.569 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(C)cc1 90784840 HKJPSQKAKCKDRO-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CCCC1CCC(O)(C2(C#N)CCC(CC)CC2)CC1 91875851 CYHVQXWGMRSBOT-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2c(F)cccc2Cl)CC1 91881298 OBYIEVMHLIKVIZ-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE CC(C)(CS)COc1ccc(-c2ccccc2)cc1 94582732 CIHQGXNCUTUWKG-UHFFFAOYSA-N 272.413 4.688 30 10 CJEE C=CCOc1ccc(NC(=O)CCCCCCC)cc1 100168823 TWQIMAYGXNFZEY-UHFFFAOYSA-N 275.392 4.550 30 10 CJEE CCCCCCCn1cc(CNC)c2c(Cl)cccc21 107021606 JOFHDYMVPQIALV-UHFFFAOYSA-N 292.854 4.985 30 10 CJEE CCOc1ccc([C@H](C)CCS)cc1C(C)(C)C 107590953 VCIJWEJHRIGGFV-GFCCVEGCSA-N 266.450 4.806 30 10 CJEE CC#CC[C@H](C)c1cc(C)cc(C)c1OCC(C)C 107666140 RHBORARKRRRZSV-HNNXBMFYSA-N 258.405 4.855 30 10 CJEE CCCCCCCCn1nc(C)c([C@H](CC)NC)c1C 108043312 DXESVQLXZJNKFQ-INIZCTEOSA-N 279.472 4.531 30 10 CJEE CCCCCCCCCCCCN(CC(=O)O)CC(C)C 108941230 PLIICTAOXYQUNF-UHFFFAOYSA-N 299.499 4.950 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(Cl)c2C)c1 110251598 KSEYOEPKZCASQG-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCOc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1 110261649 UAFRFYVRKJOKAD-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE CCCCCCCCC[C@@H](C(=O)O)c1ccccc1 111875778 MFFBRYVNFNFSMY-MRXNPFEDSA-N 262.393 4.996 30 10 CJEE CCCCCCCCn1nc(CC)c([C@@H](N)CC)c1CC 123893452 MGGULUJOEZXWEY-HNNXBMFYSA-N 293.499 4.778 30 10 CJEE CCCCCCCCCCN[C@H]1CCCC[C@H]1OC 124774986 QHANYTHHWFGIKO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCc1cc(Oc2c(F)cc(C#N)cc2F)ccc1Cl 127475118 GMVMGFBSKJGZTE-UHFFFAOYSA-N 293.700 4.845 30 10 CJEE CCCCc1ccc(OCCCCCCS)cc1 130408172 JUHAGJPSOAVBIX-UHFFFAOYSA-N 266.450 4.898 30 10 CJEE CCCCCCCC[C@H](N)c1cccc2c1OCCC2 131110912 KIPIVOIQKWYQQT-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(C)nc1C 135353508 SULBTMYSFNYLNM-QGZVFWFLSA-N 263.425 4.873 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ncc(C)cn1 135465575 MLGZEFYOAADXFD-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H](N)c2ccccc21 157394078 NVXDKNGOIAMEAH-DOTOQJQBSA-N 296.439 4.521 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCCCS1 158289699 WUIYOVWCWHXSRO-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE CCCCCCCCNCc1nn(CC)c2ccccc12 159276181 PVJUGRAGEGNQEU-UHFFFAOYSA-N 287.451 4.506 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(C#N)cc2F)cc1C 168250629 IASISGBGTQEVFO-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CN(C1CCCCC1)[C@@H](C#N)c1ccc(Cl)cc1Cl 213030036 WKDJAGPMAKYYRX-HNNXBMFYSA-N 297.229 4.823 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2ccc(C)c(C)c2)C1 218261372 XIXDVGIBJWSUNI-NZSAHSFTSA-N 285.431 4.621 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(F)ccc2F)C1 222979939 GBTIYLLTJYJUIN-GYSYKLTISA-N 281.371 4.775 30 10 CJEE CC[C@@H]1CCCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 231021363 QBVHIQNUPHMVLX-XMTFNYHQSA-N 290.495 4.996 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@](C)(O)CC 232915007 BXHKHGNHDQTGBH-DLBZAZTESA-N 272.473 4.819 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(Cl)c(F)c1 232941138 RECOVGSYBXAZIW-ZDUSSCGKSA-N 272.791 4.743 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cnccc1C 233164502 ONSIVQKDFJSPIA-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE Cc1ccc(N(C)[C@H](C)c2ccccc2Cl)c(C#N)c1 235156445 NBAKHMYTYNEYEL-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE C[C@@H](Nc1cccc(F)c1C#N)c1csc(Cl)c1 235215681 XWFZYSVBYYTBGA-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1C(C)(C)C 250829975 QFYNCNHXPLACMR-SJORKVTESA-N 296.543 4.691 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@H]1C(C)(C)C 250831042 RDYUWCRECDNHLO-KSZLIROESA-N 296.543 4.691 30 10 CJEE Cc1cccc(N[C@]2(C#N)C[C@H](C)CC[C@H]2C(C)C)c1 251074837 ROEQRPHKFFVJQE-NJAFHUGGSA-N 270.420 4.762 30 10 CJEE CCCCCN(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252437597 WPXNOVGHLQDBTN-GVDBMIGSSA-N 278.484 4.853 30 10 CJEE CCCCCCCCCCCCN1C[C@@H]2CC[C@@H](O)[C@H]2C1 252871627 OTCWMWYBDDMGML-GBESFXJTSA-N 295.511 4.610 30 10 CJEE N#CC1(Cc2ccc(C3CCCCC3)cc2)CCC1 259097913 JWOZCQBAOHKIEL-UHFFFAOYSA-N 253.389 4.971 30 10 CJEE CCn1cc([C@H](C)CC#N)c2ccc(C(F)(F)F)cc21 260090146 QVESWNXMQUJWHM-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE CCCCCCCCC[C@@]1(CNCC(C)C)CCCO1 315149509 CXJOTJWBMUIHQF-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=C(C)CC1(CNCC)CCC(C(C)(C)C)CC1 317329690 VVZOSFZJADAPGO-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C=C([C@@H](NCCC)C1CCC(C(C)C)CC1)C(F)(F)F 380190723 STQZDSSIBYYARX-YMAMQOFZSA-N 291.401 4.936 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(C)(C)OC(C)C 383955938 BONPJBVJUOMFSW-MRXNPFEDSA-N 269.473 4.695 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384431227 RQUAFKKMBBSDAR-IMFGXOCKSA-N 296.458 4.760 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1 385073783 VXOZLEVQTKUEBT-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CCCCCCCCC[C@H]1NC(=O)[C@H]1C1CCCCC1 385336729 RHLHXGNFNZGQLL-SJORKVTESA-N 279.468 4.822 30 10 CJEE C=C([C@@H](C[C@H](C)C(C)(C)C)NCCC)C(F)(F)F 385588869 HWZMMYJRHZZKTM-CMPLNLGQSA-N 265.363 4.545 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)cs1 385998036 RADGQRWUOBHQDW-AWEZNQCLSA-N 263.450 4.537 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCC[C@H]1C(C)(C)C 386213499 NEUPVDPRSOEXCU-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1csc(Cl)c1 386769736 JPXHUHVHMHRJFV-NSHDSACASA-N 271.857 4.524 30 10 CJEE C=CCCCCCCNCc1cc(Cl)ccc1OC 388509349 NEGVHFGEDLPPGS-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(C)c(C)c1 389182600 LDLUZHPVSQGSQI-KRWDZBQOSA-N 262.441 4.839 30 10 CJEE CCCCCCC[C@@H](CCOCc1ccccc1)NC 395561053 LOCXXEQAQLBPFT-SFHVURJKSA-N 277.452 4.542 30 10 CJEE CCC[C@@H]1CCCN1CC(CS)(CCC)CCC 396962767 BJDYQVNTUBNONO-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@H](C#N)C2CCCCC2)s1 397209870 WEQBRKXYZAQDEI-HOCLYGCPSA-N 290.476 4.769 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(C)cc1C 397447511 NHWJWNSSHMWRCT-KRWDZBQOSA-N 262.441 4.839 30 10 CJEE CCCCCCCC[C@H](N)CC(C1CC1)C1CC1 400989793 GKGPMCFQDIJQEX-INIZCTEOSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@H](C[C@H](C)CC(F)(F)F)NC 402912446 ZNKULGUYZYPXIQ-QWHCGFSZSA-N 267.379 4.914 30 10 CJEE C[C@](C=O)(Cc1csc2ccccc12)c1ccccc1 405705293 ZYYHIBWIBOFMAG-GOSISDBHSA-N 280.392 4.601 30 10 CJEE C=CCCCC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 429228171 BQGCQMHOVOFJIT-UHFFFAOYSA-N 299.336 4.821 30 10 CJEE N#C[C@@H]1CC[C@H]([C@H]2C[C@@H]3CCCc4cccc2c43)C1 442761243 BTANJKAROJMJHD-VWNJHIHFSA-N 251.373 4.534 30 10 CJEE CC(C)(CNc1ccc(Cl)c(C#N)c1)c1ccccc1 686664407 STTNKNYQFHZAJX-UHFFFAOYSA-N 284.790 4.601 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)c(C)c1 686708589 KDZZJMRDIILBFM-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CCc1ccccc1 692214659 KOCCVSLVHQEWQU-BHIYHBOVSA-N 271.448 4.732 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CCCN 693951524 DCBDLADGHOWXOS-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCSc1cccc(NC[C@@]2(C)CC2(C)C)c1C#N 702361939 CDEIVYZCMBZEJV-MRXNPFEDSA-N 274.433 4.518 30 10 CJEE CCC[C@H]1CCCCN(CC2(CS)CCCCC2)C1 703283696 JXGUXPABXVJONU-INIZCTEOSA-N 283.525 4.769 30 10 CJEE CCCCCCCCCCNC(=O)N[C@@H](C)CCC 703822141 OMSKSJZWHWHFBC-HNNXBMFYSA-N 270.461 4.615 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1c(F)ccc(F)c1Cl 705541316 CZSYTAPSGTWYPQ-XHDPSFHLSA-N 299.792 4.843 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1ccccc1Cl)C(C)(C)C 711153572 DWSBAZQEPQHLMC-TZMCWYRMSA-N 291.822 4.979 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ncsc2Cl)C1 712003198 CWUBCYJJJDOANH-UHFFFAOYSA-N 299.867 4.761 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@H]2CCCC[C@H]21 714317358 WXVYZEVRGOUXKC-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(OC(F)F)cc1 715706456 SAAGJTYCUOZDBZ-IUODEOHRSA-N 283.362 4.541 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](N)C1CCCC1 718815306 DODVFQONOZVVMI-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](N)CC=C(C)C 719586122 YECKSWNBPKEJSR-DLBZAZTESA-N 269.473 4.562 30 10 CJEE COC[C@H](CC1(C=O)CCC(C(C)(C)C)CC1)C(C)C 721820809 WYGZXFPEDOHKRL-HJOIGYKYSA-N 282.468 4.717 30 10 CJEE CCCCCCCCCCCC[C@@]1(CO)CCCCN1 722758807 XYWKNGCNQNTCHV-SFHVURJKSA-N 283.500 4.802 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(F)ccc2Cl)CC1 724551376 CIAQRGLMWIQYBJ-HNNXBMFYSA-N 268.759 4.649 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(C)cc2c1CCCC2=O 821996256 GNKSZJRHINDTBA-HOCLYGCPSA-N 271.404 4.623 30 10 CJEE CCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 1084472720 YUCCSVIGDPSFQH-UHFFFAOYSA-N 297.358 4.601 30 10 CJEE C=CCN(CCc1ccco1)Cc1cccc2ccccc12 1168578316 ALRGOOMCMSDLJI-UHFFFAOYSA-N 291.394 4.664 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCCC[C@@H]1CC 1182326570 JEXLLJWREADLTM-SLFFLAALSA-N 285.475 4.980 30 10 CJEE C=CCCCCNCc1cc(Cl)ccc1OCC1CC1 1202111133 NIMYLSRGVIAVLZ-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 1205860278 NRAJTFXGHHROFQ-MEDUHNTESA-N 281.802 4.875 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1 1210292969 VLMJZZZZIHRJBD-KRWDZBQOSA-N 284.403 4.516 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCO[C@@H](C)C1 1258230877 DCOFBYXQZSSDRI-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 1288363688 AKFAJAVQXYEKMQ-QZTJIDSGSA-N 283.415 4.557 30 10 CJEE C=CCNCc1ccccc1O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1308187605 VHHFWQDRLGIKFO-YVWKXTFCSA-N 299.458 4.556 30 10 CJEE C=C(C)c1cccc(NC[C@H]2CCOc3ccccc32)c1 1308543884 OEJAZFBULAGEJB-MRXNPFEDSA-N 279.383 4.698 30 10 CJEE C=CCC[C@@H](CC)NCc1ccsc1C(F)(F)F 1308893141 ZCFMMUGLUBODSZ-LLVKDONJSA-N 277.355 4.601 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc1 1308974732 TWHFVXQYLWLOLP-VQTJNVASSA-N 275.395 4.725 30 10 CJEE C=CCC1(C(=O)OC[C@H]2CC=CC[C@@H]2C)CCCCC1 1348915683 ZFQLAQAGDNXBIV-JKSUJKDBSA-N 276.420 4.659 30 10 CJEE C=CCC1(C(=O)N(C)[C@H](C)c2ccccc2)CCCCC1 1350636252 YGTQGYNKJOFHHL-MRXNPFEDSA-N 285.431 4.733 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H]2CCCCC2(C)C)CCCC1(C)C 1436083450 HUGANJGAOIRYLO-HZPDHXFCSA-N 291.479 4.796 30 10 CJEE C=C(C)[C@H](NC(=O)CCCCCC)c1ccc(F)c(F)c1 1459179702 AIJHQVZZWPCQOV-KRWDZBQOSA-N 295.373 4.669 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC(C)(C)C)c1ccccc1 1459224483 KYPZSAVPSBCVME-HNNXBMFYSA-N 273.420 4.668 30 10 CJEE C=CCN(CCc1ccccc1)[C@@H]1CCCc2ccccc21 1459390106 GHAHJNDLAPKOJA-OAQYLSRUSA-N 291.438 4.795 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 1467476044 TWDPUQYYSMHOFK-RHSMWYFYSA-N 286.419 4.762 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1468926444 BIQCKMJQHZPAJI-OAHLLOKOSA-N 279.468 4.652 30 10 CJEE C=CCCSCCNCc1ccc(-c2ccccc2)cc1 1474201996 CIPLYTCIFAJHNG-UHFFFAOYSA-N 297.467 4.753 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)[C@@H](O)c1ccc(C)cc1 1474600675 SGHDBTFTLJXZLL-YQVWRLOYSA-N 289.463 4.532 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(C2CC2)cc1 1476342345 NBQPYZUIKSCRDN-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CCCC[C@@H](C(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 1533747066 WNRBPCJMXCZRML-UYAOXDASSA-N 299.458 4.775 30 10 CJEE C=C[C@@H](CC(=O)NCC1CCC(CC)CC1)c1ccccc1 1534620925 HHATYFOPORGHAE-ABHNRTSZSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1SC 1538793686 XZYGGZCECPQWLP-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C#CCN(Cc1ccccc1)[C@H](C)c1ccc(Cl)cc1 1559819824 DBRJUQZREHJGLH-OAHLLOKOSA-N 283.802 4.536 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(SC)s1 1560554698 ISAMSMWOKFVLPN-UHFFFAOYSA-N 269.479 4.552 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 1560941013 CHRTYLHPQDBZDO-XOYOTBSWSA-N 289.850 4.703 30 10 CJEE Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)c(F)c1 1614826971 WUMXYAAOEGHEHK-UHFFFAOYSA-N 278.248 4.553 30 10 CJEE C=CCC1(CNCc2c(C)cccc2C)CCCC1 1620935326 LKASAJNWMLKGIG-UHFFFAOYSA-N 257.421 4.530 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccc(C)cc1 1641521993 LZILYBZIVZJRNE-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE C=C(C)COc1cccc(NCc2c(F)cccc2F)c1 1650715742 WFKHVXPZHSWBND-UHFFFAOYSA-N 289.325 4.532 30 10 CJEE C=CCCCCCN1CC=C(c2ccc(Cl)nc2)CC1 1658022953 HCRFBUQHUJZDRP-UHFFFAOYSA-N 290.838 4.571 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 1658614002 NENFKSHTDKXYKN-GOSISDBHSA-N 287.422 4.954 30 10 CJEE C=CC[C@@H]1CCCN([C@H](CC)c2ccc(F)cc2)C1 1659352987 XHNAKRSNMPGWLE-RHSMWYFYSA-N 261.384 4.565 30 10 CJEE C=CCCCN(CC)C(=O)N[C@@H](CCC)c1ccccc1 1677244606 HBGXUCYXFFJRFM-KRWDZBQOSA-N 288.435 4.526 30 10 CJEE O=C(ON=C1CCCCCCC1)c1c(F)cccc1Cl 1860820766 JYZDYAUWDJXLJX-UHFFFAOYSA-N 297.757 4.736 30 10 CJEE CC#CCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 1879653966 RHVBOMHUYASRQQ-AWEZNQCLSA-N 299.245 4.623 30 10 CJEE C=CCCCCCCC(=O)[C@H](C)OCc1ccccc1 1884246372 PXFVAEBIXGIPEB-INIZCTEOSA-N 274.404 4.687 30 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CCCCCCC[C@@](C)(O[C@H](C)CCCC)C(=O)O 2228007330 QEQJEIZBUTUZEJ-GDBMZVCRSA-N 272.429 4.786 30 10 CJEE CC1(CNc2ccc(Cl)c(C#N)c2)CC2(CCC2)C1 2228294319 NESZAJMYMCMHEH-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2230431998 ADUJMAVQRDHXSU-RBSFLKMASA-N 273.411 4.713 30 10 CJEE C=CC[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NCCC 2230651030 DAELTZRTBQGOIS-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE ON=C1CCCC[C@H]1OCCCCCCCC1CC1 2230882152 WBXIOSKZGWAKOV-MRXNPFEDSA-N 267.413 4.526 30 10 CJEE CCCCCCCCCOc1c(CN)sc(C)c1C 2231068070 AZQUBQQDYNKOFE-UHFFFAOYSA-N 283.481 4.953 30 10 CJEE C=C(C)CCOc1ccc(Cl)cc1CN[C@@H](C)CC 2231574311 PXISCIJGAGLCJY-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@](C)(O)c1nnc(C(C)C)s1 2231909079 HWWZBMNNDQDMQZ-HNNXBMFYSA-N 284.469 4.620 30 10 CJEE CCCCCCCCC[C@H](N)c1c(Cl)c(C)nn1C 2232149834 DQGYJJLWXCPJBH-ZDUSSCGKSA-N 285.863 4.522 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(C(C)C)c1OC 2233237778 DHVHJSLPDPKLJI-QGZVFWFLSA-N 275.436 4.826 30 10 CJEE CCC(CC)(CC)C(=O)[C@H](C#N)c1ccc(F)c(Cl)c1 2233406222 YCASFBJWGHMQOO-GFCCVEGCSA-N 295.785 4.872 30 10 CJEE C=C[C@@](N)(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)c1ccccc1 2233575186 PEEUPNPXSNIIMN-VUHPKUFZSA-N 269.432 4.633 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2235513007 HQYWLFOJWMQCGL-WCVJEAGWSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCC[C@H](NCCC)c1cnc(C)o1 2235524106 MSNXCBTZKVLUSF-INIZCTEOSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1cccc(OC)c1 2235524124 NBSXWKMNXBABFF-GOSISDBHSA-N 275.436 4.786 30 10 CJEE CN(C[C@H](CS)C1CCC1)[C@@H]1CCC[C@H](C(C)(C)C)C1 2238147030 FCWVSAVNSWWNEO-IXDOHACOSA-N 297.552 4.869 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(F)c(C#N)c2)C1 2238161809 JHFVHPBRQLUUTK-UONOGXRCSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](C(F)F)CC[C@@H]1N 2239461777 GUTPUFUZJYSZFG-QLFBSQMISA-N 291.426 4.515 30 10 CJEE CCCCCCCCCCOC[C@@H](N)C(C)(C)C(F)F 2239490701 TZBFMWRJAZWISF-CQSZACIVSA-N 293.442 4.762 30 10 CJEE CCCCCCCCCOc1ncc(Cl)cc1C(=O)O 2239524351 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CKLFJPXUEMWXNN-GOSISDBHSA-N 251.373 4.710 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H](C)c1ccccc1)NC 2271833243 MURPNCWCLHTMJN-WMZOPIPTSA-N 259.437 4.905 30 10 CJEE C#CCC1(NCC[C@H](C)CCCC(C)C)CCCC1 2272298061 VTUAUYQQMCBQDB-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@H](C)CC 2276147147 GDMZHPQGKKFHHV-SJORKVTESA-N 269.473 4.683 30 10 CJEE C=CCC1(OCCN)CCCCCCCCCCC1 2276338233 ZLCJCLYQGNYWDC-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C=CCC[C@@](C)(O)c1ccccc1-c1ccccc1 2277482299 PUPFTGJWBLVODY-GOSISDBHSA-N 252.357 4.527 30 10 CJEE CN(CCCCCCCS)C[C@@H]1C[C@@H]1C1CCCC1 2277507491 PBGGVIJLCQDWTJ-DLBZAZTESA-N 283.525 4.625 30 10 CJEE CN(CCCCCCCS)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2277510235 SYOKZGIAXKZNCV-HRCADAONSA-N 283.525 4.623 30 10 CJEE C#CCCCCCC(=O)c1sc(C(F)(F)F)cc1C 2277666562 BWMUEUCHKVENJH-UHFFFAOYSA-N 288.334 4.842 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(OCF)c1 2278483707 LXMJMJQTBTVAFW-INIZCTEOSA-N 267.388 4.743 30 10 CJEE CCCCCCC[C@@H](O)[C@H](NCC)c1csc(C)c1C 2279093293 GHKBWNFXBNGRFM-IAGOWNOFSA-N 297.508 4.737 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C[C@@H]1CCCCC12CC2 2279518859 ACVRBPPMXOGXGO-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE C=CCCC[C@@H](CCC12CC3CC(CC(C3)C1)C2)NC 2279883414 GRSKRWRIVKZHLB-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1sccc1CC 2283057052 JFFZGTPVIZYICQ-IAGOWNOFSA-N 297.508 4.812 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CCCC[C@H]1CNC1CC1 2284072707 IBSSFDZEUIFBPM-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CCNCC(C)(C)C1CCCCC1 2284109057 JNJZSFGBZPWBAX-UHFFFAOYSA-N 275.480 4.788 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cn(C(F)F)cn1 2284789398 CAMGUXFGWMCHPF-CYBMUJFWSA-N 287.398 4.679 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1cccc(-c2ccccc2)c1 2285331499 ZTRLDLOCDXUSNP-BEFAXECRSA-N 265.400 4.826 30 10 CJEE C=CCCCCCCCSC[C@](N)(C#N)C1CCCC1 2287096137 HRSFHSXEJNPXLW-QGZVFWFLSA-N 294.508 4.657 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(F)cc(C(F)(F)F)c1 2287466755 JCGQMCNFVWSNBZ-CQSZACIVSA-N 289.316 4.981 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1C[C@H](N)CC 2287469595 IMAMXSJZAHKPGC-OAHLLOKOSA-N 295.854 4.745 30 10 CJEE CCC[C@@H]1CC[C@@H](CNC)[C@H](CC#CC2CCCC2)C1 2289875403 QHWCVSATLLDCDM-QRVBRYPASA-N 275.480 4.622 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1[C@@H](O)C(C)(C)CCC1(C)C 2290228369 BWZLTQCOQNPJBC-BZUAXINKSA-N 282.468 4.714 30 10 CJEE CCCCCCC[C@@](C)(CC#CC(C)(C)C)OCCN 2292899642 RMQHDYBOVBCXAF-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1[C@H]2CCC[C@H]21)OCCN 2293271567 KEERNGBYSOSKJI-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@H]1CC12CC2 2293505411 SVBYRIWLRGHMBK-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1cc(C)co1 2293518125 DAWARYPYCKJMMH-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCCC1(OCCN)CC(C)(C)C(C)(C)C1 2293656797 CHTYLVLPHJZRQI-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1[C@@H]2CCOC[C@H]21 2295591203 BVBFQJVXHHYQQC-MLHJIOFPSA-N 282.468 4.551 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@@H](C)N1C 2295674718 USBJVHXNKUIRRF-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCO[C@H]1C1CC1 2295691381 LCSQSVVRBFSHQH-SZMVWBNQSA-N 281.484 4.673 30 10 CJEE C=CCCCCCC[C@@](C)(O)C1(Cl)CCCC1 2302167216 UIONCOLLIFPMBY-CQSZACIVSA-N 258.833 4.816 30 10 CJEE CCCCC[C@@H](C)OCC1(CS)CC(C)(C)C1 2304485549 AITVDHOFHHIOPI-CYBMUJFWSA-N 258.471 4.708 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1CF 2310939268 QOALCNLHYXSWJW-HRCADAONSA-N 258.421 4.874 30 10 CJEE C=CCC(CC=C)S[C@H](c1sccc1C)[C@@H](C)N 2313646358 YBFYJRHSSHVACE-DOMZBBRYSA-N 281.490 4.699 30 10 CJEE C=CCCCC[C@H](C[C@@H]1CCC1(F)F)NCCC 2313734280 WVQYSUSPWHZCIW-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C#CCCCCCCN[C@@H]1CCc2sc(Cl)cc21 2316801183 VFCIGZSODLMDRH-CYBMUJFWSA-N 281.852 4.562 30 10 CJEE CCCCCCC[C@](C)(N)[C@@H](CC1CC1)C1CC1 2320771887 KWMKQZNHBIDQHD-IRXDYDNUSA-N 251.458 4.891 30 10 CJEE C=CCC(C)(C)[C@H](CCC1CCCC1)NCCC 2321095318 HWACYPYOYBJFBT-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)cc(Cl)c1 2321102980 VRFWPEVDEIZHKB-CVEARBPZSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC[C@@H]1C[C@H]1C)NCC 2321114922 ZTJVQBRJMJUXRC-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(Cl)cccc1OC 2321127208 HRUFLPICMPQRQE-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@@H](CS)CC(C)C)s1 2328541889 QTKIMKVSIMGGIN-KBPBESRZSA-N 285.522 4.641 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@@H]2F 2333365870 XZBRMSBPQPBVGC-LUKYLMHMSA-N 267.432 4.759 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CCCC2)CC[C@@H]1N 2335190430 ILZYFICSFFEDSH-JKSUJKDBSA-N 279.493 4.681 30 10 CJEE C=CCC(CC=C)[C@H](O)c1c(C)oc2ccccc12 2338690722 KJXOOKDPEURVKS-KRWDZBQOSA-N 256.345 4.543 30 10 CJEE C=CC[C@@H](C[C@H](c1ccccc1)C1CCCC1)NC 2342479325 GAILYLJWXUKZIH-ZWKOTPCHSA-N 257.421 4.515 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1CC(C)(C)[C@@H]1C 2342877088 UGUSUEAJCIMHNV-HUUCEWRRSA-N 285.541 4.869 30 10 CJEE CCCCCCCOC[C@](C)(CC)CN[C@H](C)CC 2343149649 VPRHFIWDMNNFFP-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE C=CC[C@@](C)(NC[C@@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343374194 MWMAURFNKLYPKG-OUCADQQQSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(C)c(Cl)cn1 2344335712 BVOHCYJMPFMVEC-HNNXBMFYSA-N 280.843 4.686 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCC 2344339404 JAGPDHYTIFZMBK-LUKYLMHMSA-N 261.453 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C)c(C)c1 2344343010 MVOGNULVUASDBZ-MSOLQXFVSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CCCCCOC(C)(C)C 2344369280 NZYMUJJJZCIVEZ-NVXWUHKLSA-N 269.473 4.682 30 10 CJEE C=CCC(C)(C)[C@@H](NC)C1=CC[C@H](C(C)(C)C)CC1 2344382534 GNDQZKZHGQBRFX-HOTGVXAUSA-N 263.469 4.949 30 10 CJEE C#Cc1ncccc1N[C@H](C)c1ccc(Cl)c(Cl)c1 2346051546 YONCUOTUQLSNEU-SNVBAGLBSA-N 291.181 4.543 30 10 CJEE CC(C)c1cccc(NC[C@H](C#N)C(C)(C)C)c1F 2352916442 MZSDURHBVOSWPV-LBPRGKRZSA-N 262.372 4.547 30 10 CJEE C=CCCCCCCNc1ccc(C#N)c(SC)c1 2353835727 VDNBWFLONQGXND-UHFFFAOYSA-N 274.433 4.829 30 10 CJEE C#CCCCC[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2355382758 GAYHBXYIHNNRDN-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)[C@@H]1C[C@H]1CCC 2357784999 KMYISARWAUIGGE-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE N#C[C@H]1CCC[C@@H]1Sc1ccc2ccccc2c1 35676475 HJQXBUZYQUVCNA-ZBFHGGJFSA-N 253.370 4.624 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 37306376 OMOBQWANYQVJCA-FIXISWKDSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 37306454 ZRCFOTDEPFCEMP-IAQYHMDHSA-N 297.320 4.925 30 10 CJEE CC(C)c1ccc(OCC[C@H](C#N)c2ccccc2)cc1 57684633 LYDQCVCDFIIWOF-GOSISDBHSA-N 279.383 4.886 30 10 CJEE CCC(CC)c1nc2cc(C)c(C)cc2n1C[C@H](C)C#N 57801507 YLQJYWIQYUPUGO-GFCCVEGCSA-N 283.419 4.716 30 10 CJEE CCCCCCCOc1ccc(CN)c(C(F)(F)F)c1 59095421 NRRSMHKPPUCCQW-UHFFFAOYSA-N 289.341 4.513 30 10 CJEE N#Cc1ccc(Sc2ccccc2F)cc1Cl 61855573 QBHUAHPQLMZSHA-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE Cc1sc(-c2ccc(OC(C)C)cc2)cc1CC#N 77094679 KNQNDZPVAFPXED-UHFFFAOYSA-N 271.385 4.577 30 10 CJEE CC1(C)[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@]2(C)CC[C@@H]1C2 80140987 PTMLYZUQYDGBDJ-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(CC2CC2)C2CC2)C1 80369177 POWAONCYGHKXHZ-JFIYKMOQSA-N 288.479 4.605 30 10 CJEE CCC1CC(C#N)(c2c(Cl)cccc2Cl)C1 86517076 WFEINYYJAHZETI-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCC[C@@H]1CN 91323991 AZLVYQDOEHWQPQ-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CCC[C@H](C)[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884877 HZIGZRGZTLVGGT-UJEKJILKSA-N 265.441 4.530 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1cccc(Cl)c1C#N 94326345 SSZXJNDKOPYCHG-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE CN(C1CCC(C)(C)CC1)[C@H](CC#N)c1ccccc1 94859673 SZFXAUIBOADFFB-QGZVFWFLSA-N 270.420 4.542 30 10 CJEE CCCCC[C@@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633825 TULRFLLLDGKLAJ-GOSISDBHSA-N 294.394 4.772 30 10 CJEE C[C@@]12CCC[C@H]1[C@@H]1CC=C3C(=O)CCC[C@]3(C)[C@H]1CC2 96332034 MCYXUSLOLJKBAQ-UNTXSKPGSA-N 272.432 4.908 30 10 CJEE CCCCCCCCC(=O)Nc1cnc2ccccc2c1 97998464 QZKFQNZMCGGNMV-UHFFFAOYSA-N 284.403 4.924 30 10 CJEE CCCCCCCOc1ccccc1CCCNC(C)C 106534474 DJBVPVFGINDKGR-UHFFFAOYSA-N 291.479 4.966 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(C)c(OCC)cc1C 107652739 CDVDMXKHYBPLAY-BBRMVZONSA-N 258.405 4.855 30 10 CJEE CCCCCCCO[C@@H](c1ccc(C)cc1)[C@H](N)CC 109987438 XBBMEBAYKIMCID-MSOLQXFVSA-N 277.452 4.760 30 10 CJEE C[C@H](N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N)C(C)(C)C 110265069 WTDPRHSFNACXDS-ZJIFWQFVSA-N 278.484 4.707 30 10 CJEE Cc1nc(C)c([C@H](C)Nc2ccc(C(C)(C)C#N)cc2)s1 111360391 UCUOHSMQQIKDNP-LBPRGKRZSA-N 299.443 4.734 30 10 CJEE CCCCCCCCCNCc1cccc(OCC)c1 112171930 ATDNVGNXUFWSGT-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCC[C@@H](CC(=O)OCC)N1CCCCCC1 113038520 MCDSINBIXUPWOT-KRWDZBQOSA-N 297.483 4.545 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@@H]1C1CC1 114058889 VPQUJEBOMDYZPX-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCC(CO)(CO)CC(C)C 118666064 AHARCJCBULPQFI-UHFFFAOYSA-N 272.473 4.534 30 10 CJEE CCCCCCCCC[C@@H](NN)C1C(C)(C)C1(C)C 122255022 ZNKRVPUOAJRVCX-CQSZACIVSA-N 268.489 4.641 30 10 CJEE CCCCCCCO[C@H]1CCCC(C)(C)[C@H]1NCCC 122991216 FHWJCVXZCWMHNN-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC(=O)c1cc(N)c2ccccc2n1 124086905 JNPJXCZTDKXAQJ-UHFFFAOYSA-N 284.403 4.750 30 10 CJEE CCCCCCCCOc1cc([C@@H](C)NCCC)ccn1 124738582 OWPYQKRGVKFHOT-MRXNPFEDSA-N 292.467 4.882 30 10 CJEE CCCCCCCCCCNc1ncnc(Cl)c1C 124885797 LUHHALBOVAGYQT-UHFFFAOYSA-N 283.847 4.991 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCC[C@H](C)C1 125902246 SXZIKJDFFVMGHF-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Nc2ccccc2F)C1 129803768 WYJOMCLLHJDJHK-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE CCCCCCCC(=O)COc1cccc(Cl)c1 135416112 DAPPGJPVZFODLZ-UHFFFAOYSA-N 268.784 4.648 30 10 CJEE CSc1cccc(Nc2cc(Cl)ccc2C#N)c1C#N 136673018 SCZKTXVTPMNSMW-UHFFFAOYSA-N 299.786 4.549 30 10 CJEE CCCCCCCCCCCC[C@](O)(CN)C(C)C 150060871 VVLBIZVOSLSVIR-KRWDZBQOSA-N 271.489 4.643 30 10 CJEE CCCCCCCC(=O)C1(OCC)CCC(C)CC1 158340810 QLITXJHMNJSUJK-UHFFFAOYSA-N 268.441 4.901 30 10 CJEE C=C(Cl)CN[C@@H](C)c1sc2ccccc2c1C 161004946 LDDVLCWEXXNEMP-NSHDSACASA-N 265.809 4.613 30 10 CJEE SCCCCCCCCCSc1nccs1 162202474 UNJZAQPWVGTINF-UHFFFAOYSA-N 275.508 4.896 30 10 CJEE N#Cc1cc(F)cc(COc2cccc(Cl)c2Cl)c1 163718280 ZLBWQSHKHXSCJE-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCC[C@@H]2C(C)C)CC1 214732060 XRNYYZYCHQIEGZ-JWHDQAAXSA-N 291.479 4.920 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)c1cc(F)cc(C#N)c1 227617060 BETSPEJPDWTIMJ-LLVKDONJSA-N 288.753 4.548 30 10 CJEE N#Cc1ccc(Nc2cc(F)ccc2Cl)cc1Cl 231820274 ATWRCQZLHLCORH-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@@H](N)c1noc(C(C)(C)C)n1 232924101 NBDDMYVPGRWEBU-CYBMUJFWSA-N 281.444 4.508 30 10 CJEE CCCCCCCCCCNc1nc(Cl)nc(C)c1N 232927978 CAAAQKUSQPUGBL-UHFFFAOYSA-N 298.862 4.573 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](C)CNC 232931530 MOGYUFBYWTZGMK-SFHVURJKSA-N 284.532 4.695 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1SC 232948542 WYMUSQZBZNSOCK-XHSDSOJGSA-N 271.514 4.999 30 10 CJEE CCCCCCCCC[C@@H](C#N)N1CCCCCC1 232956910 GMGNIRGTBYQYPG-KRWDZBQOSA-N 264.457 4.895 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)[C@@H](C)CC 232973776 YNRPTMHHLYTPKQ-DLBZAZTESA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccnc(C)c1 232994392 BNYSAHVKRORCGH-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C=CCCCCCC(=O)c1ncc(Cl)cc1Cl 236053784 CNUFAPDAGIBQMM-UHFFFAOYSA-N 272.175 4.708 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(OC(F)(F)F)c1 236136108 YXQNFZPLLXRGRO-UHFFFAOYSA-N 284.277 4.658 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H](C)CC2)C1 251277168 NMOYCQUYBLLMNM-MLHJIOFPSA-N 290.495 4.853 30 10 CJEE COc1ccc(N=Cc2c(OC)ccc3ccccc23)cc1 252462423 SDFYPIJTLCZAIF-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE ON=C1CCCCCC[C@@H]1SC1CCCCC1 254703289 SHAVGMFALXYJKX-AWEZNQCLSA-N 255.427 4.605 30 10 CJEE N#C[C@H](c1cccc(Cl)c1F)[C@@H]1C[C@H]2CC[C@H]1C2 302326929 HNENYLNRKDFAGC-YRRQLQLVSA-N 263.743 4.522 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 310922406 RKSDHNCLRPZAAN-SMDDNHRTSA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@H]1CCC[C@@H](CNC(C)(C)C)O1 312037656 ULTSQWXYCXUZFE-HOTGVXAUSA-N 269.473 4.673 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC[C@@H](C)C2)C1 317339813 RFSTZDMHJSOCPY-WCXIOVBPSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H](OC)c2ccccc2)C1 317393014 YRFPTTJCRFFNCT-BPQIPLTHSA-N 274.404 4.550 30 10 CJEE C=CCCCCC[C@]1(CNCC)CC[C@@H](CC)C1 317404068 HCJSCDDGWOWSCM-SJORKVTESA-N 251.458 4.929 30 10 CJEE CC#CCCC1(CNC2CC2)CCC(C(C)(C)C)CC1 319018189 FYLSVCNYMJZOCF-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CCCCCCCCOc1cc(C)c(CN)c(C)c1C 383598924 UNYJTHYQEOFXGJ-UHFFFAOYSA-N 277.452 4.810 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCCC[C@H]1C 384492186 LVNKIEIWZAAICG-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H](N)C1(CO)CCCCCC1 384863091 OUMZYKGCJBYTGG-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE SCCCCCCCCCN1CC[C@H]2CCC[C@H]21 385931059 BTQIHDGOQJZXCC-HZPDHXFCSA-N 269.498 4.521 30 10 CJEE CCCCCCCCCN[C@@H]1CC2CCC1CC2 386889323 XOYQWMHHJGHKSY-OFLPRAFFSA-N 251.458 4.905 30 10 CJEE CC(C)CC(C)(C)C/N=C1/NCC2(CCCCC2)CS1 391224366 NQXPCVLTGAZRSA-UHFFFAOYSA-N 296.524 4.702 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1C[C@H]1CC(C)C 395831317 AXLFKOHHMZSWFY-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC 402129733 FJZLRVUYKXPDHH-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccc2c(c1)CCCCC2 404534285 YUMIMYHCHQNGRC-INIZCTEOSA-N 270.420 4.553 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1F 466572694 KQZUXOCBNBCWCK-QMMMGPOBSA-N 290.165 4.673 30 10 CJEE CC(C)[C@H]1CCCCC/C1=C/B1OC(C)(C)C(C)(C)O1 575598174 RLPIADVEDWSKIZ-IKESIWSLSA-N 278.245 4.781 30 10 CJEE Clc1ccc(NN=Cc2cccc3ccccc23)cc1 606346894 WCGWTJWSAMBDGH-UHFFFAOYSA-N 280.758 4.939 30 10 CJEE C#CCCCCC[C@H](CSC1CCCCC1)NCC 686681710 WMWSWRKIJFKKAV-MRXNPFEDSA-N 281.509 4.614 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)CC1CCCCC1 689810244 TXAMZFWVDLFGKV-CQSZACIVSA-N 256.393 4.638 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1nc2ccccc2s1 692252849 OSSYENLHPBCZGM-ZIAGYGMSSA-N 286.444 4.521 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](OC)C1CCC1 692799655 ZMLSXOLBPNTKEH-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cc3cscc3s2)c1 693959805 PZRNALRWSNBJTH-ZDUSSCGKSA-N 284.409 4.948 30 10 CJEE C[C@@H]1CC(C/N=C2/N[C@H](CC(C)(C)C)CS2)C[C@H](C)C1 695334398 AORLIWQBNYUSPD-IZGVIRRGSA-N 296.524 4.556 30 10 CJEE C=C1C[C@H]2CC(NC[C@H](CC)CCCC)C[C@@H](C1)C2 697306580 KBGZSZPEJXPBGV-HRBLRVMOSA-N 263.469 4.927 30 10 CJEE CCN(CCCCCCCCCS)C[C@@H]1C[C@H]1C 698251402 LHBKFEVXJANZSK-CVEARBPZSA-N 271.514 4.625 30 10 CJEE Cc1ccc(CNc2ccccc2C(C)C)cc1C#N 701821736 AYNMJZLNHITWKJ-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CCCCCCCNCc1ccc(C)c(Cl)c1 703748652 QLQPSEPCZWIRNT-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE CCCCCCCNc1cc(C(C)C)nc(Cl)n1 703786442 DNJDLWNTIPBDHP-UHFFFAOYSA-N 269.820 4.636 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1cncn1C 704664017 JYVNNFKWVYFSOV-INIZCTEOSA-N 279.472 4.602 30 10 CJEE C=CCCC(C)(C)CNc1ncnc(Cl)c1C(C)C 709442429 PKVQZIVAVNWDGI-UHFFFAOYSA-N 281.831 4.658 30 10 CJEE C=CCCC(C)(C)CNc1nc2ccccc2nc1Cl 709469176 LYNAVQFERSAWCW-UHFFFAOYSA-N 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2230913469 XWDVNIRIFUFBJZ-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCO[C@H](CCC)CNCCC 2230990903 AOJIBRGMTUPGRY-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCOC[C@H](NC)C1(Cl)CC1 2231023042 AWFJRQANADLBCO-HNNXBMFYSA-N 289.891 4.503 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)C(C)(C)CC 2231934268 GCXZNGYUYLLHJX-RDJZCZTQSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCCC(C)C 2231935044 OBCIOJRKXWKPFO-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]1(CC)CCCO1 2231945331 FEDKCTFHVMVILK-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2231946930 ULXCOCOANNRZGK-LBHJEWGBSA-N 263.469 4.617 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC1 2233645966 UHHCMYICARYXGD-MLHJIOFPSA-N 275.480 4.927 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=NCCCCCCC2CC2)N1 2234190162 NBHKZLXJJUTMDU-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1CO[C@H](C)C1 2235521480 JTRYQFHADZHDOA-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@]1(CNC(C)(C)C)CCCO1 2235523849 KANUAKRBOZGEFF-GOSISDBHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@H](CC[C@H]1CCCO1)NCC 2235524740 STVRFMXHVDVJDX-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCc2ccc(F)cc21 2235531559 AEQFFZBGUAKUIQ-GOSISDBHSA-N 275.411 4.843 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)CC1(C)CC(C)(C)C1 2236611977 QVDYPDIKTVRDCR-YJBOKZPZSA-N 283.500 4.642 30 10 CJEE CCCCCC#CC[C@H](N)C1(C)CC2(CC(F)(F)C2)C1 2239169982 UZPUZJPPGPJPOA-AWEZNQCLSA-N 283.406 4.503 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)CC1 2239462591 JJROXWKYFFQILR-FUHWJXTLSA-N 290.834 4.659 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@H](CC)C[C@@H](NCC)C1 2239505868 ZYRXVMLEWGSRQK-BRSBDYLESA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@@H](C)CNC1CC1 2239509005 ALEFBOAFJVHSFT-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCO[C@H]1CCC(F)(F)[C@@H]1O 2239510494 NGYPKZQOIZTRKL-LSDHHAIUSA-N 292.410 4.692 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1cccc(Cl)c1 2240637712 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NCZGVXZHOWJLFL-ZDUSSCGKSA-N 284.421 4.559 30 10 CJEE C=C(CC)C[C@@](C)(CCCCCCC)OCCCN 2276330144 IFBGXNNJFYKUQN-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@H](OCC)C1 2278228910 JKFSCHBTHLUBMG-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc(OCF)c1 2278488022 SZYRWTXDCYERKN-MRXNPFEDSA-N 267.388 4.527 30 10 CJEE CCCCCCCCCCC[C@H](N)CC[C@@H]1CCO1 2278533422 OVWUIPPLPNAVDU-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CN(CC[C@H]1CCCCC12CC2)CC1(CS)CCCC1 2279562952 WELIDFQNRQDONK-MRXNPFEDSA-N 295.536 4.769 30 10 CJEE N#C[C@]1(C[C@H]2CCC23CCC3)CCc2ccccc2C1 2280995771 XJOGNTRVLDOEAK-QZTJIDSGSA-N 265.400 4.656 30 10 CJEE SC[C@@H](COCC[C@H]1CCCC12CC2)c1ccccc1 2281389941 XRKWBSLZDUKJFU-IAGOWNOFSA-N 290.472 4.687 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(OC)cc1C 2283267781 ALVYNICQNYGZAH-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc(F)ccc2Cl)C1 2283356459 SHUMEJCCPDUOJT-ZBFHGGJFSA-N 295.785 4.623 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CC(C)(C)CC[C@H]1C(=O)O 2284090168 OOURTAVKTPCSGW-LSDHHAIUSA-N 276.420 4.509 30 10 CJEE C[C@H](C[C@H](N)CC=CC#CC(C)(C)C)c1ccccc1 2284098698 KJYFXSLKPAVLCX-SJLPKXTDSA-N 269.432 4.503 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(OC)c(C)c1C 2284519938 XKLIYRQHJONVLH-SFHVURJKSA-N 277.452 4.846 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1COC2(CCC2)C1 2284852652 HTSQQWBTZBMVNV-SJORKVTESA-N 279.468 4.580 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(OCCC)cc1 2287370293 PYPQWEOTBGMVQX-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CC(C)CCC[C@H](C)CCN(C)[C@H](CC#N)C(F)(F)F 2287967131 SCUJUBXAIJHGRC-UONOGXRCSA-N 292.389 4.615 30 10 CJEE CN[C@H](C#CC1CCCCC1)C1(C)CCC2(CC2)CC1 2289715832 SWBNNNRZRXRQQP-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2289875949 TWDSVAUMCFQMNG-FCGDIQPGSA-N 273.464 4.504 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1(C)CCC(C)(C)CC1 2289899221 NJHFNBMKJIENGU-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE C=C[C@@H](C)C[C@@H](Cc1cccc(C(C)(C)C)c1)NCC 2290192073 CZYPZOOIWJHHAR-QAPCUYQASA-N 273.464 4.717 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CC(C)(C)C[C@@H]1C 2290916970 DVWUENPFZRXBTL-WMLDXEAASA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](C)[C@](CC)(CCCCC)OCCC(=O)O 2291010894 UDPVBZONVXAZFL-RDJZCZTQSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)c1cc(C)cs1 2291455904 JFONWZXYBBGNCX-AWEZNQCLSA-N 296.432 4.725 30 10 CJEE C=CCCCC[C@@](C)(CCCCCC)OCCC(=O)O 2291464205 GJUBDVSMZFGZRS-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC1(OCC(=O)O)CCC(C)(C)CC1 2291931814 PXVVEZUCHFLBEU-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=CCCC[C@@H](OCCC(=O)O)c1ccc(Cl)c(C)c1 2292037758 GQKSXUZVYQDYBJ-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE CC#CCCC[C@@H](CCCCCCCCC)OCCN 2292864240 UCKXMFRSENIYCX-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@@]2(C)C[C@@H]21 2293413880 PGGBBMNSZATSSQ-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)C1CCC(CC)CC1 2294246539 QWZDHHQWXJRVMF-CPFNUKBASA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H]1CC[C@H](C)C1 2295674427 RBFDTMSEOIGUIL-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE C[C@H]1CC[C@H](CSCc2ccccc2C#N)CC1 2313809688 YMHQGLFVOOVNQX-HDJSIYSDSA-N 259.418 4.618 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](C)CC(C)(C)C 2316739906 WLDUVDREWUHRHE-HOCLYGCPSA-N 251.458 4.805 30 10 CJEE C#CCCCCCCNCc1cc2sccc2s1 2316798978 VPEHZXBZHSSMFT-UHFFFAOYSA-N 277.458 4.636 30 10 CJEE CCCC[C@](C=O)(CC)CC[C@H]1CC[C@@H]1C1CC1 2319611477 GUYMQHCDGDVVHS-BRWVUGGUSA-N 250.426 4.988 30 10 CJEE C=CCC(C)(C)[C@H](CC1CCC(C)(C)CC1)NC 2321106933 BTRNRWHKCRHLJK-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(C)c(F)c1Cl 2321119147 XKXYXJVJFXMNQS-GJZGRUSLSA-N 269.791 4.780 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc2sccc12 2321235587 YBBUWEWTAGISLB-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)cc1C 2335238812 PPYXBMNDZAVEMU-AWEZNQCLSA-N 277.477 4.940 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)cc1CNC(C)(C)C 2335246517 WVLCCNKRZAYAEC-AWEZNQCLSA-N 277.477 4.940 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)s1 2337105595 ZBOJAEBVDBRNIM-ZYHUDNBSSA-N 289.366 4.601 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)cc1C1CC1 2339216568 USNWCGSUJTUCRQ-UHFFFAOYSA-N 258.336 4.776 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(C(F)(F)F)ccc1C 2341927534 XZWDKVSAQRLYPL-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE SCC1(CO[C@@H]2CCC3(CCCC3)C2)CCCCC1 2343594025 XWROKKUPCRKIJE-OAHLLOKOSA-N 282.493 4.996 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cnc(C2CC2)s1 2344371239 ISZDWUNNMDOABH-GOEBONIOSA-N 278.465 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@@H]1CC[C@@H]1C1CC1)NC 2344377534 DCAVSLOSGJKOGE-MHORFTMASA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCCC2(CC2)C1)NCC 2344378441 GIMJWZKUOBYEOG-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1nccc2sccc12 2344385456 PQFHXKGFPITNEI-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE C=CC[C@@H](C)[C@H](CC1C2(CCC2)C12CCC2)NCC 2344385462 PSDVAHSIGGQLGA-CABCVRRESA-N 261.453 4.537 30 10 CJEE C=CCCCCCCOc1cc(F)c(C=O)c(Cl)c1 2351581069 FYNPTSNSGQZPPO-UHFFFAOYSA-N 284.758 4.807 30 10 CJEE C=C1CC(C[C@H](NCC)[C@H]2C[C@@H]3CCCCCC[C@@H]32)C1 2356031288 CXZXSNAJPMQQLQ-VJANTYMQSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2358322483 QYGSVLKHEVXOCS-JJXSEGSLSA-N 285.422 4.912 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC2(CCC2)[C@H]1NCCC 2360325429 XZSSQFRQXGMCHB-SJORKVTESA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)Sc1ccnc(CNCCC)c1C 2360378885 RFDQDIPUEMQQMO-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE Cc1cccn2c([C@H](C)C#N)c(-c3ccc(Cl)cc3)nc12 31921495 XOXLBDBFGUACNW-GFCCVEGCSA-N 295.773 4.590 30 10 CJEE CCc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 33672890 UOMPXNHLOOXNNI-WJDWOHSUSA-N 266.365 4.579 30 10 CJEE C[C@H]1CC=CC[C@H]1COc1ccc(C(F)(F)F)cc1C#N 37334138 SSHOYKOIBBKZMC-RYUDHWBXSA-N 295.304 4.558 30 10 CJEE FCCCCCCCCC#CCCO[C@@H]1CCCCO1 39626788 ROVOAZBCHDNVBH-KRWDZBQOSA-N 284.415 4.623 30 10 CJEE CCc1ccc([C@H](C#N)Cc2cccc(Cl)c2)cc1 41390999 CBJFHUDMPQLQSN-INIZCTEOSA-N 269.775 4.752 30 10 CJEE C=C(Br)CNc1ccc(-c2ccccc2)cc1 51040469 NVCMILATOODZOJ-UHFFFAOYSA-N 288.188 4.674 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc2ccccc12 54823012 TZGMGGXJDYEXIL-WBVHZDCISA-N 264.372 4.724 30 10 CJEE CCCCCCCCOc1ccc(C(C)=O)cc1[N+](=O)[O-] 59087968 FNHBRDLOLFLCLL-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](c1ccccc1)N(C)C 59090012 ASTMLUNPGINGED-HKUYNNGSSA-N 290.495 4.628 30 10 CJEE CCCc1oc(-c2cc3ccccc3o2)cc1C#N 77082371 PRCKJQXSBLJFKS-UHFFFAOYSA-N 251.285 4.517 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2cc(Cl)c(C)n2)C1 80011099 BFAISNVMRLCVKD-GZBFAFLISA-N 293.842 4.762 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2sccc2Br)C1 83776173 WFVBHXPLGBBMJX-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC[C@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 83828741 WPNWJCNLOVRKAP-CMPLNLGQSA-N 282.309 4.568 30 10 CJEE N#CC1(C[C@H]2Cc3ccccc3S2)CCCCCC1 92273589 NGYYALHUSIGHAT-OAHLLOKOSA-N 271.429 4.958 30 10 CJEE CC(C)[C@@H](C)N(C)CCCCCCCCCS 97799239 RCXKQVFMUVVTBL-OAHLLOKOSA-N 259.503 4.623 30 10 CJEE CCc1cccc(C)c1Nc1ccc(C#N)cc1Cl 104000034 SIRBCAQXFAAEFV-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCOc1ccc(/C=C2/CC[C@H](C3CCCC3)C2=O)cc1 104375444 MVZFLRFXIMQFPU-BBLCHGJFSA-N 284.399 4.638 30 10 CJEE CCCCCCCOc1ccc(C[C@@H]2CCCNC2)cc1 106150072 HSNLFLKMVNAUEX-SFHVURJKSA-N 289.463 4.578 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(C)c(C)cc1Br 107479895 MGHSBILJYHIUPP-GWCFXTLKSA-N 279.221 4.829 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1cc(Cl)cc(Cl)c1 107500672 QOYIPYQBWHNSPN-OXHMUOHRSA-N 259.176 4.664 30 10 CJEE CCCCCCCC[C@@H](CN)Cc1ccc(C)cc1 110180684 QQWYEPWIHDWBJX-GOSISDBHSA-N 261.453 4.863 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)C[C@H]2CC[C@@H]1C2 110198388 BDVGVNVMMPIHIZ-IPMKNSEASA-N 295.511 4.779 30 10 CJEE C[C@H]1CCCC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N 110256735 UGXLAOVEFSZFIE-NWDGAFQWSA-N 296.336 4.815 30 10 CJEE CCCCCCCCCCSc1ccc(N)nc1 110324219 DHLKYNOWYPJCLC-UHFFFAOYSA-N 266.454 4.897 30 10 CJEE CCCCCCC[C@@H](C)N(CCC)C1C[C@@H]2CC[C@@H](C1)N2 110418045 SNJFLMBMRDLSBM-SQNIBIBYSA-N 294.527 4.730 30 10 CJEE CCCCCCCCCCOc1cccc(CN)c1 111817025 LMVSMOVXZASDGB-UHFFFAOYSA-N 263.425 4.665 30 10 CJEE CC1(C)[C@@H](Nc2cc(Cl)ccc2C#N)[C@]2(C)CC[C@@H]1C2 112939164 NGMQLBPUANSEFQ-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCCC[C@@H](CCCOC)NCC 115746898 BUAYGALWJYUIML-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)cc1OC 115855706 MZDOERZRXDYKQF-QGZVFWFLSA-N 293.451 4.844 30 10 CJEE CCCCCCCCC[C@H](NCC)C(C)(C)OC 118395854 LXAYRRFUBXZSTP-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](CN)c1ccccc1Cl 118863394 NASQAVCMMNDQHA-ZDUSSCGKSA-N 253.817 4.743 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(CC)cc1 125459862 FVJRORKNXMTRPP-SFHVURJKSA-N 276.468 4.894 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C)c1Cl 125723412 OCJUAYVJBOCVOS-CQSZACIVSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@@H](NCC)c1c(Cl)cnn1CC 126399777 MJFAORNXVXJYRC-OAHLLOKOSA-N 299.890 4.958 30 10 CJEE CCCCCCCC[C@H](NN)c1cnc2ccsc2c1 130192802 LADMZNMBDVBZAT-AWEZNQCLSA-N 291.464 4.551 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CCOC1)NC 130294687 UMNXMCZIWGHDRA-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cccc(C(F)F)c2)CC1 132327356 JBSNZGPVGFETLJ-AWEZNQCLSA-N 293.357 4.768 30 10 CJEE CCCCCCCCCCC[C@@H](CCCOC)NC 134159343 YHKGDMAKRJSRDZ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCCC 156136107 DTHNAUYWXUXRMG-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE Cc1cc(C#N)ccc1COc1ccccc1C(C)C 165540498 ZCPMULGFWZEBMX-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1cncs1 165558175 JTGIDCCJMAACLO-NSHDSACASA-N 276.430 4.594 30 10 CJEE CCCCCCCCCC[C@H](CCC(C)C)NN 168182420 KLFZLQKZGGADMI-MRXNPFEDSA-N 256.478 4.785 30 10 CJEE C=C(C)CCC(=O)c1cc(C)c(Br)c(C)c1 169142396 VZHLLNRMPYKSPF-UHFFFAOYSA-N 281.193 4.605 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(C(C)C)c1 203437940 GCHHYMLAMDOGNN-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](CC)CC2)C1 226983222 NHYNYMMPMUDAEH-BRSBDYLESA-N 276.468 4.607 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473119 GEYFVYXJBPGHIS-DYEKYZERSA-N 294.851 4.936 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)c(F)c1F 231744480 ZSOSEGUOCPORAZ-AWEZNQCLSA-N 269.379 4.894 30 10 CJEE CC(C)(C#N)CCCCOC1CCC(C)(C)CC1 232834803 ZFZOAENRPOODMJ-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE C=CCCCCC[C@@H](N)c1ccccc1C(F)(F)F 236316120 DXBRYVQRMJMNOM-CQSZACIVSA-N 271.326 4.842 30 10 CJEE C=CCc1cccc(C=Nc2ccc(Cl)cc2)c1O 252624218 PJDNDXJKLSNFKX-UHFFFAOYSA-N 271.747 4.525 30 10 CJEE Cc1cc(C[C@@H](C)C#N)cc(Cl)c1OCc1ccccc1 260545049 LHLFCGIHVXMFQN-CYBMUJFWSA-N 299.801 4.930 30 10 CJEE C=CCCCN[C@H](c1ccccc1)C1CCCCC1 311944324 LDIJZTUKYZQVRS-GOSISDBHSA-N 257.421 4.864 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2C#N)c(Cl)cc1N 312076604 QNJOENKEDGNJAH-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CC(C)(C)C#CCSc1ccc(CNC(C)(C)C)cc1 312337325 PIBYNODHVFHOBV-UHFFFAOYSA-N 289.488 4.716 30 10 CJEE N#Cc1cccc(NCc2cc(Cl)sc2Cl)c1 312560803 OOAUOVZSCMFSCN-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1ccccc1Cl 319810673 IOEMCQDSABFYIL-ZWNOBZJWSA-N 253.798 4.616 30 10 CJEE C=CCCC[C@H](NCC)c1c(C)cccc1Br 380034729 QDIDWDLZGMREIT-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1C 381887670 ZMSCWZRXCPARHG-INIZCTEOSA-N 277.839 4.739 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cnc(Cl)cc1Cl 384892444 UIZNNDDNTAWXCU-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE N#Cc1cc(N)ccc1Sc1cc(Cl)cc(Cl)c1 385395392 JIUTVXHCSQTBOM-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H](OC)C1CC1 388271075 FYIFBHZYQWYKKR-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE C[C@H](CCC(C)(C)C)NC[C@H](C#N)C1CCCCC1 397197935 OINQFANMIMLHOC-ZBFHGGJFSA-N 264.457 4.511 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C=O)CCC[C@@H](C)C1 402443841 OUACEBQYHLJIQG-AGIUHOORSA-N 264.331 4.751 30 10 CJEE C=CCN(C(=O)c1cccc(SCC)c1)c1ccccc1 488436775 URVDTAKPWDSXCT-UHFFFAOYSA-N 297.423 4.631 30 10 CJEE C=C(C)CCSCc1ccccc1C(C)(C)C#N 507876966 UCAIDJPYRYWJTI-UHFFFAOYSA-N 259.418 4.687 30 10 CJEE C=C(C)C[C@@H](C)c1nc(C(C)(C)c2cccc(F)c2)no1 563916297 ORIRAJMATJYIOR-GFCCVEGCSA-N 288.366 4.604 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](CCCC#N)c2ccccc2)C1 593629339 LPYFMCUTDPOBOQ-BHIYHBOVSA-N 282.431 4.756 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](CC)c1ccc(C)cc1 620310058 VNMHYMSDSLDXBW-YTQUADARSA-N 297.442 4.588 30 10 CJEE C#CCCCCC[C@H](NCC)c1coc2ccccc12 686688347 JQGGPMDWBLAQSX-KRWDZBQOSA-N 269.388 4.667 30 10 CJEE C#CCCCCCC[C@H](CNC(C)C)c1ccccc1 686692829 LLQSKLYAGXHAQZ-LJQANCHMSA-N 271.448 4.742 30 10 CJEE CCc1ccc(N=C2N[C@H](C(C)(C)C)CS2)cc1Cl 691292464 MPLMBFOIOHTINS-ZDUSSCGKSA-N 296.867 4.641 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nccc2sccc12 692226302 DWEYIOXIUNYKLB-OCCSQVGLSA-N 272.417 4.843 30 10 CJEE CC1C[C@@H]2CC[C@H](C1)N2CC1(CS)CCCCCC1 692948109 JKZVYBQRGPUOSY-MQVJKMGUSA-N 281.509 4.520 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)CC(F)F)NN 694612293 FQJBJUZAXKNNMA-ZDUSSCGKSA-N 278.431 4.640 30 10 CJEE CC(C)CCCCCNc1ccc(Cl)cc1C#N 695758795 STFXLTVYDHZDMS-UHFFFAOYSA-N 264.800 4.840 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CC1(C)C 702136222 VOOMCOOVDXGQDH-QGZVFWFLSA-N 251.458 4.905 30 10 CJEE CCCCCCCN[C@H]1CCCOc2c(C)cccc21 703715887 DMFVAFLUDUCRTG-KRWDZBQOSA-N 275.436 4.769 30 10 CJEE C=CCCC(C)(C)CNCC1C2CC3CC(C2)CC1C3 704005386 JASCMBCYZMJZFA-UHFFFAOYSA-N 275.480 4.641 30 10 CJEE N#CC1([C@H](O)c2c(F)ccc(F)c2Cl)CCCCCC1 705533937 CJMQHXLQOJBPIR-CQSZACIVSA-N 299.748 4.516 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)C)CCC[C@H](CC)C1 710620469 IKRAOUOUIVAEON-GJZGRUSLSA-N 257.849 4.714 30 10 CJEE CCCCCCCCC[C@@]1(F)CCC[C@H](CN)C1 724017223 DSPFJYJIPWRFTN-JKSUJKDBSA-N 257.437 4.984 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](CC)CC[C@@H]2C(=O)O)CC1 724598593 IIADBHCDFJUFLI-KBMXLJTQSA-N 264.409 4.650 30 10 CJEE CC(C)C(C/N=C1/N[C@H](C2CCCC2)CCS1)C(C)C 725091419 ZDKGYKWMVRQOFU-INIZCTEOSA-N 296.524 4.556 30 10 CJEE ON=C(c1ccccc1)c1ccc(Oc2ccccc2)cc1 725383694 OWZKLWLJBOVIMI-UHFFFAOYSA-N 289.334 4.706 30 10 CJEE CC[C@@H](C#N)c1cc(C(F)(F)F)ccc1C(F)(F)F 725413588 YVUDMIAGUHQROB-ZETCQYMHSA-N 281.199 4.741 30 10 CJEE C=C([C@H](NCC)c1cccc(C(C)(C)C)c1)C(F)(F)F 821963154 HYYUIQFGUSNVHN-AWEZNQCLSA-N 285.353 4.753 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](C)CC2CCCC2)CCCC1(C)C 1128573978 KQTMQCRBUVWNAI-DOTOQJQBSA-N 291.479 4.796 30 10 CJEE C=CCC1(C(=O)OCc2cccc(C(F)F)c2)CCCC1 1128621941 SKRYCQPFQPIXHE-UHFFFAOYSA-N 294.341 4.804 30 10 CJEE C=C1CCC(C(=O)N(c2ccccc2)[C@H](C)C2CC2)CC1 1132258593 FRCKPGXRRQTZLV-OAHLLOKOSA-N 283.415 4.565 30 10 CJEE C=C(C)CN[C@H](c1ccc(CCCC)cc1)C(C)C 1168283789 DAHQFBFAGKCBAY-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C#CC[C@@H](NCCCCCCCC)c1ccccc1 1168722649 HCGCYVXOAIIGGJ-GOSISDBHSA-N 257.421 4.701 30 10 CJEE N#CC1(CN[C@H]2CCCC3(CCCCC3)C2)CCCC1 1173338448 ICTNRDUSVDDMIE-INIZCTEOSA-N 274.452 4.553 30 10 CJEE C=CCCC[C@H](NCc1cnc(F)c(C)c1)c1ccccc1 1179457931 LXZGADHARLZWND-SFHVURJKSA-N 298.405 4.716 30 10 CJEE C#Cc1cccc(N[C@H]2CC[C@@](C)(c3ccccc3)C2)c1 1205277632 RVIKTEKIAYQTOC-VQTJNVASSA-N 275.395 4.590 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)CCCC1 1206656407 LNXSWPNGNFNRCA-IAGOWNOFSA-N 293.495 4.695 30 10 CJEE N#Cc1cnc(Nc2cccc(Cl)c2Cl)c(Cl)c1 1216441939 LRRGPMZGLPEPBI-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2ccc(CC)cc2)c1 1220335298 RAUCQFFFIBKZCQ-UHFFFAOYSA-N 280.371 4.926 30 10 CJEE C=CCCCCCCNC(=O)CCc1ccc(Cl)s1 1271935296 LFONCSKJIWWUCZ-UHFFFAOYSA-N 299.867 4.587 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 1274903860 CWTKSAGWVRJBOD-AZUAARDMSA-N 299.458 4.607 30 10 CJEE C=C[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C)c1ccccc1 1299555533 FDHQMAYBNFQESG-BZSNNMDCSA-N 299.458 4.629 30 10 CJEE C=CCCCSc1nc(-c2ccco2)nc2ccccc12 1307286247 XVUXUZDNYLQJND-UHFFFAOYSA-N 296.395 4.948 30 10 CJEE C#CCCCCCCN[C@@H](C)c1nc(C(C)(C)C)cs1 1307658868 PSVCMAJFCUJSLJ-AWEZNQCLSA-N 292.492 4.675 30 10 CJEE C=C(CC)CNCc1cc(-c2ccccc2C)ccc1OC 1308436819 VNVYFXOPBLYHNL-UHFFFAOYSA-N 295.426 4.726 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccccc1-n1nccc1C 1308685294 NPUJHIJCCJOUAK-OAHLLOKOSA-N 283.419 4.728 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)C(C)(C)C 1353118101 QGSRYVKOGKZQSB-HOTGVXAUSA-N 287.447 4.520 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C=C1CCC(C)(C)CC1 1437623671 YGOPPDTVNUKZJE-SJORKVTESA-N 289.463 4.764 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1oc2c(C)cccc2c1C 1439847095 OYVUJDYJKHTGPP-HNNXBMFYSA-N 297.398 4.620 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 1457397367 RJLVXMBEJMAYBD-LMMKCTJWSA-N 299.458 4.631 30 10 CJEE C=CCC(C)(C)CNc1nc2c(C)c(C)ccc2s1 1472791699 VGNZVDKZLOHMAE-UHFFFAOYSA-N 274.433 4.927 30 10 CJEE C=CCCCCCN1CCc2ccc(F)cc2[C@H](C)C1 1473602931 UCYKNJLUEYVVLG-OAHLLOKOSA-N 275.411 4.534 30 10 CJEE C=C(C)CN1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F 1473662068 YVIHFPZBXKSGEL-INIZCTEOSA-N 297.364 4.679 30 10 CJEE C=CCCCCCCCCN[C@@H]1CC[C@H](C)SC1 1474165984 NVIQYZBZXZWXTK-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE C=C(C)CN(C/C=C/c1cccc(F)c1)Cc1ccccc1 1474493720 XNNHWZDVOOOPLM-YRNVUSSQSA-N 295.401 4.917 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@]23CCCC[C@@H]2C3)c1 1477188688 PBGNRRVQVYRIMT-IDHHARJASA-N 298.430 4.810 30 10 CJEE C=CCCCCCCNC(=O)C[C@H](C)c1ccc(F)cc1 1525671274 BRUUDVLXZDZFJF-HNNXBMFYSA-N 291.410 4.572 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C=C)c1ccccc1)c1ccccc1 1528631402 CGBMZGVVXOXDPP-LPHOPBHVSA-N 292.378 4.817 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC[C@@H]1CCc2ccccc21 1534159584 WTEIMWMHXXVHOP-KRWDZBQOSA-N 299.458 4.605 30 10 CJEE C=CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1535616174 FXRQZLYWUDQWNW-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c1 1539558338 RSVHHKXKZHTPEA-UONOGXRCSA-N 273.420 4.977 30 10 CJEE C=CC1(CC(=O)NCC2CCCCCC2)CCCCC1 1543454925 SGMNXIYKHBYFHD-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCCCCCN1CCCc2cc(F)cc(C)c21 1559614007 SFIDKNCZGCNJGE-UHFFFAOYSA-N 261.384 4.633 30 10 CJEE C=CCCC1(CNCc2ccc(CC)cc2)CCCC1 1560532231 WUIYBTOBGYDRBS-UHFFFAOYSA-N 271.448 4.865 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)c1cccc(C)c1)c1ccccc1 1583298175 RDKAQXIHPMGLGT-IRXDYDNUSA-N 293.410 4.532 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H](C)c1cc2ccccc2o1 1625513156 ZOFCESPTROELGC-CQSZACIVSA-N 299.414 4.645 30 10 CJEE C=CCN(CCc1ccccc1)CC1CCC(C)(C)CC1 1644483011 VXPWROGMOXPPHF-UHFFFAOYSA-N 285.475 4.934 30 10 CJEE C=C(CN[C@@H]1CCC[C@@H](CC)CC1)c1ccccc1 1649117666 MVGYBFOKPGPJQZ-SJLPKXTDSA-N 257.421 4.648 30 10 CJEE C=CCOc1cccc(CNCC[C@@H]2CCCC[C@@H]2C)c1 1649608403 LPJYJNYGXZOJLJ-WMZOPIPTSA-N 287.447 4.557 30 10 CJEE C=CCC[C@H]1CCCN1c1nc2cc(C)ccc2s1 1651487467 OFICSCFKBPISLM-ZDUSSCGKSA-N 272.417 4.540 30 10 CJEE C=CCn1c(S[C@@H]2CCC[C@H](C)C2)nc2ccccc21 1651576060 MYTYFGSSEIIHOB-UONOGXRCSA-N 286.444 4.893 30 10 CJEE C=CC[C@H](CC)NCc1cc2cccc(C)c2nc1Cl 1657868313 OEODOWBHEDZAIA-HNNXBMFYSA-N 288.822 4.641 30 10 CJEE C#CCCCCCCNc1cccc(-c2nccs2)c1 1658577080 GMHDPPZMQLKQDH-UHFFFAOYSA-N 284.428 4.806 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C)c(OCC)c2)C1 1659193970 AJFLCMQDNMAENU-HUUCEWRRSA-N 259.393 4.550 30 10 CJEE C=C(C)CCNC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1674946168 BIQJOXNRGOVPCJ-CYBMUJFWSA-N 286.419 4.559 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)CC 1772557307 HJPSGCCKSFTVRV-WYMLVPIESA-N 271.404 4.833 30 10 CJEE C=CCSc1nc(-c2ccc(CC)cc2)cs1 1860796582 OXXKWNSKMWIQGR-UHFFFAOYSA-N 261.415 4.651 30 10 CJEE 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CN(CCCCC(C)(C)C#N)CC1CC2(CCCC2)C1 2279981532 SRWMAXUHFUWZBG-UHFFFAOYSA-N 276.468 4.609 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2(OC)CCCC2)C1 2280306722 FEQGETLNUWCMCC-PMPSAXMXSA-N 295.492 4.787 30 10 CJEE Cc1cc(NC2C[C@@H]3CCCC[C@H]3C2)cc(C)c1C#N 2280554785 ROXWNCDXKNDQDS-GJZGRUSLSA-N 268.404 4.556 30 10 CJEE Cc1cc([C@@H](C)Nc2cc(C)c(C#N)c(C)c2)c(C)o1 2280562666 IHFFUKAHIZUKPG-CYBMUJFWSA-N 268.360 4.558 30 10 CJEE CC(C)(C)c1cccc(Nc2cccc(F)c2C#N)c1 2285655885 PHCJDWMERJZTRB-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE C=CCCCN(CC)CCCN(CCCC)CCCC 2286806738 VRLUKRUZVIJWKP-UHFFFAOYSA-N 282.516 4.567 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](F)CC[C@@H]1NCC 2287405533 FIJKDFPNUCATTA-IXDOHACOSA-N 287.463 4.622 30 10 CJEE C=C(C)CCCCOc1ccc([C@@H](C)NCC)c(F)c1 2287416410 ZDVPKFZAEYWEKB-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccnn1C(C)C 2287464809 DAXXGQKIUVZBOR-INIZCTEOSA-N 277.456 4.641 30 10 CJEE CCCCCCCCCC[C@H](OCC(=O)O)[C@H]1C[C@H]1C 2290579155 LRVDZMWWYIHVFK-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)c1cscc1C 2291457369 VBBAAUUXBLVXPX-HNNXBMFYSA-N 296.432 4.725 30 10 CJEE C=C(C(C)(C)C)[C@](CCC(C)C)(OCCCN)C1CC1 2293347285 CIUAPYJKQIZJMT-SFHVURJKSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CC[C@@H]1CC 2293582446 YRKVJOXXQFAFFR-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CC(C)(C)CCC1(C)C 2294253069 XTRWYYMXBDWBEQ-GOSISDBHSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC[C@H]1CCOC1 2295676807 OPSVHDQRNWMNTM-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)sc1CNC(C)C 2298934060 WLWFBNYAAFTZJY-JTQLQIEISA-N 289.897 4.956 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C(F)F)cs1 2304124210 BPJFHHZMZRXOSR-WCQYABFASA-N 260.349 4.712 30 10 CJEE C=CC[C@H](C)Sc1ccccc1[C@H](CC)NCC 2313693337 WLFNKRYGXKZGKO-ZFWWWQNUSA-N 263.450 4.804 30 10 CJEE C=CCC(CC=C)[C@@H](CCCC(C)C)NCCC 2316705088 PHUAVSJJZPVPCF-QGZVFWFLSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](CC(C)(C)SC)NCCC 2316753505 ZIGMYDQDXUUBOV-OAHLLOKOSA-N 269.498 4.655 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1CC[C@H]1C(C)(C)C 2321105396 PAFJQDVPSJOXGD-HWMZRRJGSA-N 251.458 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(Cl)c(Cl)c1 2321134958 RGZJRJSIGFJKBL-CABCVRRESA-N 286.246 4.856 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C)(C)C(F)F)NCCC 2321136327 BRBSBPFEOQDTRY-GFCCVEGCSA-N 261.400 4.638 30 10 CJEE COc1ccccc1SC[C@@](C)(CS)C(C)(C)C 2327087954 GXPWHFUUSOKVCL-OAHLLOKOSA-N 284.490 4.770 30 10 CJEE Nc1ccc(Cl)c(C(=O)C2=CCCCCC2)c1Cl 2327943748 VYQXJDKQRIEJTF-UHFFFAOYSA-N 284.186 4.649 30 10 CJEE CCCCCCCCCCC[C@H](C#CC1CC1)NC 2337432127 NRGXPSPWQLWYLP-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CC(=CCOc1ccccc1C#N)CCCC(C)C 2338467553 HEBGAYFYOXYPEL-UHFFFAOYSA-N 257.377 4.710 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(C)CC(C)(C)C1 2338743350 DUMZGDJRQYFULC-MRXNPFEDSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@]1(CNCCC)CCS[C@@H](C)C1 2338744052 KZCPOQJBCDBCKX-DOTOQJQBSA-N 281.509 4.656 30 10 CJEE C#CCCCCCCN[C@H]1CCCc2sc(Cl)cc21 2338812963 LCYQEIBDFSKPCE-AWEZNQCLSA-N 295.879 4.952 30 10 CJEE CC1(C)OCCC[C@@]1(C#N)CCCC1=CCCCC1 2341016340 WHHJTLKHLZKYNR-QGZVFWFLSA-N 261.409 4.756 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CCC[C@H](C)O1 2341291998 SIRDXDKKLZTWPN-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccccc1C(C)C)NCC 2344339223 HLLXJMMDEVENBK-QAPCUYQASA-N 259.437 4.543 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)cc1C)NCC 2344381507 VLJIQFKZOOAUKM-MRXNPFEDSA-N 279.855 4.771 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2344396346 NGWYZXREYIWXCC-DFBDCSAJSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCO[C@H]1CN[C@H](C(C)C)C1 2344600163 FDEYHTPMWORYAC-SJORKVTESA-N 269.473 4.530 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCCC12CC2 2352733205 UWCZFGDXXRMYFW-SCRDCRAPSA-N 274.326 4.505 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@H](C)CC1CC1 2360372650 VCXZMEFDRBMEPA-GDBMZVCRSA-N 284.440 4.643 30 10 CJEE CCCCCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 36991872 LGGUANOHOPJLSB-HUUCEWRRSA-N 258.409 4.568 30 10 CJEE CC(C)N(Cc1cccs1)[C@@H](CC#N)c1ccccc1 55020467 ASIFXCXFQWYTFA-KRWDZBQOSA-N 284.428 4.613 30 10 CJEE Clc1ccc(-c2ccc(/C=N/c3nccs3)o2)cc1 59378600 WPADZLKEMZCTNL-RQZCQDPDSA-N 288.759 4.807 30 10 CJEE Cc1ccccc1[C@H](C)Nc1ccc(C#N)cc1Cl 62791091 ZRWUGSQDJJSSSG-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC(C)COc1ccccc1-c1cc(CC#N)c(C2CC2)o1 77083417 WEYQTCHVTWYCJB-UHFFFAOYSA-N 295.382 4.925 30 10 CJEE CC(C)Oc1cccc(-c2cc(C#N)c(C(C)(C)C)o2)c1 77085146 JLNLAAUBTBCIJZ-UHFFFAOYSA-N 283.371 4.903 30 10 CJEE CC(C)(C)c1nc(CCc2ccccc2)sc1CS 82441178 IEITUIBRCBWDJW-UHFFFAOYSA-N 291.485 4.656 30 10 CJEE CCP(CC)c1ccccc1/C=N/C1CCCCC1 90475742 AGKLFAPCXZFDHI-NBVRZTHBSA-N 275.376 4.585 30 10 CJEE C=C(C)C[C@H](CSc1cccc(Cl)c1)NCCC 92130039 RLTAQYGKHJLYCA-CQSZACIVSA-N 283.868 4.767 30 10 CJEE CCCC(CS)(CCC)CN(C)C(C)(C)CC 94577847 VBXFREXIJSGTTA-UHFFFAOYSA-N 259.503 4.623 30 10 CJEE CCCCCCCOCc1cc(CNCC(C)C)co1 107345099 LSFQPHJBWJCHSS-UHFFFAOYSA-N 281.440 4.512 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cccnc1 109722080 BRPSDOZCRHEEHG-QGZVFWFLSA-N 262.441 4.873 30 10 CJEE C=CCSc1ccccc1NC[C@H]1C[C@@H]2C=C[C@H]1C2 109900844 WINWPXNCRFOFTC-QLFBSQMISA-N 271.429 4.589 30 10 CJEE Cc1ccc(Oc2cc(Cl)ccc2C#N)cc1C 110260929 LCZQZDPKJGCZJO-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(OC)c(OC)c1 112884933 DXCRIAMAIQXULR-MRXNPFEDSA-N 294.435 4.878 30 10 CJEE CCCCCCCCCCN(CC(N)=S)C1CCCC1 112971459 CUMDKWOIBQXTSI-UHFFFAOYSA-N 298.540 4.658 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1CCOC1 114995654 SOXWPEFVPKXMED-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC(=O)c1ccc(NC(C)=O)cc1 115855130 SCOIUWQDXYGDBL-UHFFFAOYSA-N 289.419 4.968 30 10 CJEE CCCCCCCCC[C@@H](NN)c1c(C)oc(C)c1C 122208884 CGPFGXYDXXOBIA-MRXNPFEDSA-N 280.456 4.850 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(OCCC)c1 122423401 GSNWRWMUWIKXKQ-GOSISDBHSA-N 292.467 4.730 30 10 CJEE CCCCCCCCCCS[C@H](CC)C(=O)O 125918490 FRJXKMRQIOAPRJ-CYBMUJFWSA-N 260.443 4.724 30 10 CJEE CCCCN(c1ccccc1)c1ccc(C#N)c(C)c1 126897437 OGAOMQSXBQWFRY-UHFFFAOYSA-N 264.372 4.805 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C#N)ccc2Cl)cc1 127802396 YYEZMNKLAAKIRX-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE Cc1ccc(C#N)cc1NC1CCC2(CCCC2)CC1 129372198 FBFDVPURNIIDKO-UHFFFAOYSA-N 268.404 4.782 30 10 CJEE CCCCCCCCCCNc1cccc(OC)c1N 134859529 LFEHWCYUEGYEAK-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE CC(C)c1ccccc1Nc1ccc(C#N)c(F)c1 135232345 DCYCUJOJRWLIIE-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCCCCCCCCc1ccc(C(=O)N(C)O)cc1 136895734 ZCKOAPNQDREWMH-UHFFFAOYSA-N 291.435 4.831 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@H](O)C1 149522962 CASHPESAJGFGCQ-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2c(F)cccc2F)C1 157679314 XSAQJDXXBRAMGK-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CCCS1 161016154 IKQWHLZDJLHESZ-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CC[C@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 162965570 BUGUROZPOOJXRW-ZETCQYMHSA-N 287.215 4.769 30 10 CJEE N#Cc1cccc(CSc2ccc(O)c3ccccc23)c1 163415476 XRBXOGBWVWDNMP-UHFFFAOYSA-N 291.375 4.709 30 10 CJEE C[C@@H]1CCCC[C@H]1N(C)c1ccc(C(F)(F)F)c(C#N)c1 164446405 KHNSTGOXSLKCHA-IAQYHMDHSA-N 296.336 4.592 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccnn1CCC 165515037 RSUHLWOBDOUTJX-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE Cc1cc(C#N)ccc1O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 203441049 HFSNRCWNSNMPLQ-FDQGKXFDSA-N 271.404 4.706 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 212300702 XTENQSSJFMXOJK-BBWFWOEESA-N 263.469 4.783 30 10 CJEE CCCCCC[C@@H](C)OCc1cccc(C#N)c1F 222006080 HNQWKFAYEAVXRS-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn(C(C)C)c1 232952240 GJKCUPSSFFAPPE-MRXNPFEDSA-N 266.429 4.638 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(F)c2ccccc12 233122903 KIUKWNAPGXDDNP-SFHVURJKSA-N 271.379 4.986 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H]1CCCC[C@H]1C 250798573 BSHQVJGSUGQDMD-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCC[C@@H](CC)COc1ccc(C)cc1C(C)=NO 252430221 CJANMLULUMKBDQ-OAHLLOKOSA-N 277.408 4.788 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1cccc(Cl)c1F 310120708 UPFJYKGWTXEYCQ-ZYHUDNBSSA-N 253.748 4.768 30 10 CJEE CCCCCCCCNc1cc(C)cnc1Br 310548149 VOYIBOIMZQRSBW-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CC2CCC1CC2 311172724 RRUAYFNNPDZZKY-GQGLESIBSA-N 251.458 4.891 30 10 CJEE C=C([C@@H](NC)C1CCC(CCCC)CC1)C(F)(F)F 311536874 SIEMGMCFAGFEBB-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE O=C[C@@]1(Cc2c(Cl)cccc2Cl)C[C@H]2CC[C@H]1C2 316430128 LNHIHXXISPIZNP-PGUXBMHVSA-N 283.198 4.541 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC1CCC(C)(C)CC1 317083996 AJIAZIQQIGMPOG-PBHICJAKSA-N 250.426 4.988 30 10 CJEE CC(C)C1CCC(C=O)(CCC2CCCC2)CC1 317437911 IOUVUHPBRIIUGK-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE N#C[C@]1(CC/C=C/c2ccccc2)C[C@H]2CC[C@H]1C2 323604658 QSKJHBGHNNLZEQ-KGINPRFTSA-N 251.373 4.810 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(OC3CCC3)c2)CC1 385076467 XQCFDDSVKFEHEZ-CYBMUJFWSA-N 270.372 4.547 30 10 CJEE CC[C@H](C)N(CCCCCCS)Cc1ccccc1 387324634 CECHJIHTLBIDEK-INIZCTEOSA-N 279.493 4.777 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/C2CCCCCCC2)N1 393455111 BISJCFBXJBJREX-CQSZACIVSA-N 282.497 4.597 30 10 CJEE C=C([C@H](NCC)c1ccc(SCC)cc1)C(F)(F)F 394032557 QYKAOMYOBDJORR-ZDUSSCGKSA-N 289.366 4.568 30 10 CJEE N#Cc1ncccc1CSc1cc(Cl)cc(Cl)c1 394127864 DJJKGDUJSFJNBP-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C=C([C@@H](NCC)c1ccc2sccc2c1)C(F)(F)F 395294004 PMFUFPJXXPSBLG-CYBMUJFWSA-N 285.334 4.670 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@H]1C[C@H]2CC[C@H]1O2 395313339 PYLCVUXLBBFHIC-BRSBDYLESA-N 281.484 4.673 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cccc(C)c21 398322123 ZRFRMMMNSNDWIQ-LBPRGKRZSA-N 260.406 4.551 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccns1 404449832 HOJCOBFQSPTSCY-ZDUSSCGKSA-N 255.427 4.707 30 10 CJEE C[C@@](C=O)(CCCCc1ccccc1)c1ccccc1 405739724 ZODXYXCSULZHQR-IBGZPJMESA-N 266.384 4.556 30 10 CJEE C#CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1CNCC 686693375 RYWUXVDPZHGIPH-IAGOWNOFSA-N 263.469 4.622 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc(F)c1Cl 690289679 RBBNTFZCOBVJSO-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@@H]1CC1(F)F 691643879 PYSUGVMJTGWCGL-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE N#CC1(C[C@@H]2CC3CCC2CC3)Cc2ccccc2C1 691759265 OVJCESAPFKJTLV-JMLCCBQJSA-N 265.400 4.512 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cccc2ccccc12 695802702 XHFWIWAGMUWULO-CYBMUJFWSA-N 253.345 4.547 30 10 CJEE CCCCCCCCC[C@@H](O)CCc1ccc(N)cc1 695925768 PHYYOQZQSMNADS-GOSISDBHSA-N 277.452 4.703 30 10 CJEE CC(C)(C#N)CCCCN1C[C@@]2(C)CC[C@@H](C2)C1(C)C 699434134 UNMWZMDLOILMFK-YJBOKZPZSA-N 276.468 4.607 30 10 CJEE CCCCCCCCN[C@@H](C)c1nc(C)c(C)s1 701956012 KSAMBJRLEGDVBS-ZDUSSCGKSA-N 268.470 4.771 30 10 CJEE C=CC[C@@H]1CCCCN(c2ccc([C@H](C)N)cc2Cl)C1 703690264 MOZKPFCFLWJFDH-UONOGXRCSA-N 292.854 4.542 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCCC[C@H]1CC 704004980 BUOYIZVJYKNFKC-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(F)c(Cl)c1 704040137 NHKNFAQUYRGSEK-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE C=CCCC[C@H](C)NCc1ccsc1C(F)(F)F 704329905 VXRZCJLJHMJOII-JTQLQIEISA-N 277.355 4.601 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](C)CC(C)(C)C1 708868220 ABUIYEWVDZRVJF-VVLHAWIVSA-N 263.469 4.926 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCCC[C@@H]1C1CC1 709999563 UTENNBLKRCPHBS-IAGOWNOFSA-N 295.536 4.767 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC(C)(C)OC2(C)C)CC1 711335075 HQGLLOWIUIBXGP-CSLYMUCUSA-N 280.452 4.756 30 10 CJEE CCc1ccccc1N=C1NC2(CCCCCC2)CS1 713203983 YLOUTSCYZPAEFD-UHFFFAOYSA-N 288.460 4.666 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1CC(C2CC2)C1 714458105 HIGINATWOSVDQO-DAWZGUTISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715029766 ORKBOIFTISGYGX-DOOAHGOASA-N 276.464 4.946 30 10 CJEE C=C(CN[C@H]1CC(C)(C)CC[C@H]1C)c1ccccc1 717483953 PDJRYLLBNRQVRK-PBHICJAKSA-N 257.421 4.504 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](N)C1CCCCC1 718826634 ZKFBNMCBJIQLCR-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCCCC2(C)C)c1 719226381 NBLPIIYTBHDJJF-INIZCTEOSA-N 256.393 4.638 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 724565639 HGKFUDHJEYZAQN-OAHLLOKOSA-N 284.321 4.875 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 724571051 KNBZFGIBDQBVLO-RYQLBKOJSA-N 263.469 4.783 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H](CC)c2ccccc2)CC1 724603617 YIAISVGKNRAYSE-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 867726501 JAHXZBHYXPVKMD-VIBAHUMZSA-N 297.442 4.769 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(F)=C/CC 867727264 SSRTZZUSNSFTGJ-DHDCSXOGSA-N 275.367 4.740 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](CC)C1)c1ccccc1 1126343208 KXCMGFSGXVQAKX-UHOSZYNNSA-N 299.458 4.821 30 10 CJEE C=CCC1(CNC(=O)[C@@H](CC)CC2CCCC2)CCCC1 1128964353 SBAHRJKYGRLWLN-KRWDZBQOSA-N 291.479 4.846 30 10 CJEE C=C(C)CCNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 1129193298 MAZWOUKYODSSPT-MRXNPFEDSA-N 293.838 4.552 30 10 CJEE C=CCC1(C(=O)NCCCCCCC(C)C)CCCC1 1136166493 MSJHALXJKBZQEJ-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCCN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1169675653 LJLBEOGJMYEOIK-KRWDZBQOSA-N 259.437 4.847 30 10 CJEE C=CC[C@H]1CCN(Cc2c(C)c(C)c(C)c(C)c2C)C1 1174891295 RWSBGPOGSYJNRP-SFHVURJKSA-N 271.448 4.627 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2cc3ccccc3s2)C1 1202560808 MLUCDQUWXXHPPG-HOCLYGCPSA-N 285.456 4.778 30 10 CJEE C=CCCc1ccccc1NC1CCC2(CCOCC2)CC1 1205503707 GSAIKKOGIGOADJ-UHFFFAOYSA-N 299.458 4.957 30 10 CJEE C=CCC[C@H](C)Nc1cccc(-c2ncc3n2CCCC3)c1 1205548210 PWPUCESDEQEZRN-HNNXBMFYSA-N 295.430 4.653 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 1229653193 OBBWLRNXVMTXAV-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=C[C@@H](CC(=O)N(c1ccccc1)C1CC1)c1ccccc1 1272720050 YKXQBYFKLDXXFP-INIZCTEOSA-N 291.394 4.542 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 1308700637 SHKRKNIKHNCZOH-RHSMWYFYSA-N 291.410 4.764 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccccc1O 1308901010 FQPIXIGEBVQIHX-HUUCEWRRSA-N 263.425 4.792 30 10 CJEE C=CCCc1ccccc1NC(=O)NC1(C2CCC2)CCC1 1310624826 PXVOUPXVUWPKRX-UHFFFAOYSA-N 298.430 4.650 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(C(C)(C)C)cc1 1351234871 UQWJPLKWNIEAJB-QGZVFWFLSA-N 259.393 4.525 30 10 CJEE C=CCC1(C(=O)Nc2cc(Cl)ccc2SC)CCC1 1351555920 HPMCRNRRLDAASC-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE 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269.473 4.530 30 10 CJEE C=CCCCC[C@H](C[C@H]1C[C@@H]1C(F)(F)F)NCCC 2128834621 RLVPSNJRMLOQQL-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCCCCC[C@]1(N)c2ccccc2CC[C@H]1C 2128980467 NSCKWVXWGLMZJK-CRAIPNDOSA-N 257.421 4.559 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@]1(C)CCCC(F)(F)C1 2132141754 ACAURTCILOXJRV-CABCVRRESA-N 273.411 4.927 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(C)cc(C)c2C)C1 2138349121 ITJPNHRLZYPQCN-FUHWJXTLSA-N 255.405 4.874 30 10 CJEE C#C[C@@H](N[C@H](C)CC1CCCCC1)C1CCCCC1 2138973780 GQLXTGZPFCTOBA-CRAIPNDOSA-N 261.453 4.517 30 10 CJEE CCCC#CC[C@@]1(CNC(C)(C)C)CCCC1(C)C 2138988208 UJJYMMVFSIZJEJ-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@H](C[C@@]12CCC[C@H]1C2)NCCC 2138999891 FUTXSTZSJVJVPQ-KSZLIROESA-N 261.453 4.519 30 10 CJEE SCCCCCCOCc1cccc2ccccc12 2140392519 OXEUORMEQDHIKF-UHFFFAOYSA-N 274.429 4.847 30 10 CJEE N#Cc1cc(NCc2cc3sccc3s2)ccc1F 2140592011 PMKKQLUJYGCPOB-UHFFFAOYSA-N 288.372 4.586 30 10 CJEE C=CCCCCCC[C@H](O)c1cnc2ccsc2c1 2141907294 CNLRTELZHYHGAI-HNNXBMFYSA-N 275.417 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282.468 4.883 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]1(O)CCCCC[C@H]1C 2148576893 AQCKKOYSPQNJNR-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](C)(O)CC(C)(C)C 2148583153 OZRFMBQQHLNLQU-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](N)[C@](O)(CCC)[C@@H]1CC1(C)C 2148588939 PVWFVDHWLVMVAP-RYRKJORJSA-N 283.500 4.642 30 10 CJEE C=CCN(C[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 2149119174 ZUYNRSNHPCBAIF-UONOGXRCSA-N 289.385 4.786 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)c1cccc(F)c1Cl 2149856713 ATGJUVOAEWEKAV-INIZCTEOSA-N 293.813 4.713 30 10 CJEE Cc1cccc(N[C@H](C)c2ccc(Cl)cc2F)c1C#N 2151927552 IASVUTAARHFTEI-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCCCC[C@@]1(O)CNC2(CCCC2)C1 2155217996 SCFDKKZITGFJPO-SFHVURJKSA-N 281.484 4.554 30 10 CJEE Cc1ccc(CC[C@@]2(C#N)CCCC(C)(C)CC2)nc1 2157100340 OGYWCBVQTYFVMV-SFHVURJKSA-N 270.420 4.823 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1ncccn1 2157936555 DHJSPSYWWUJIGI-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1cnc2ccsc2c1 2158321474 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CC[C@@H]1CCC[C@@](C#N)(C[C@H](O)c2ccccc2C)C1 2169657716 WXBKTTFYAUKZSH-NJAFHUGGSA-N 271.404 4.529 30 10 CJEE N#Cc1ccccc1Oc1cccc(F)c1C(F)(F)F 2172596088 MEYXSDCDMTYSLF-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE C#CCCCC[C@@H](NCC)c1ccc(C(F)(F)F)cc1 2173498285 SUGRQNISTFLHJB-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE O=C[C@@]1(C[C@@H]2CC23CCC(F)(F)CC3)CCCC12CC2 2173673428 OMCCTTKDXUMGKO-BBRMVZONSA-N 282.374 4.742 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@]1(C=O)CCCCC12CC2 2173679612 LDYWMGFJPLVNJX-FPXQBCRKSA-N 274.448 4.988 30 10 CJEE CO[C@H](C[C@@]1(C=O)CCCCC12CC2)C1CCCCC1 2173680069 OHNKEJPJVLEHJQ-SJLPKXTDSA-N 278.436 4.511 30 10 CJEE CCCCCCCCCCCCO[C@@](C)(CN)C(F)F 2176295664 BTXNFBGAFQWCGO-INIZCTEOSA-N 293.442 4.906 30 10 CJEE C=CCCCC[C@@H](NC)[C@H](O)CCCCCCCCC 2179676045 CBRKUFLIDGLCPB-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CC(C)(C)C[C@@](C)(O)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2181672523 YLBRJIMUYYRXNU-RDTXWAMCSA-N 280.452 4.515 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CC[C@H](COC)C1 2181795677 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Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1C#N 2201126829 SQZYGOHSRDLWHP-FHLIZLRMSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@]23CCC[C@H]2CSC3)CC1 2201865306 DRUBRRWZRTUVIW-BZSNNMDCSA-N 293.520 4.634 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc(Cl)cc(F)c1F 2203787729 QAZFCUXNWPWESZ-HNNXBMFYSA-N 299.792 4.853 30 10 CJEE C#C[C@@H](N[C@@H]1CCCCCCC1(F)F)C1CCCCC1 2203800179 HKFRRAXSCKIMGB-HZPDHXFCSA-N 283.406 4.516 30 10 CJEE C#C[C@@H](N[C@@H](c1cccs1)C1CCCC1)C1CCCC1 2204032055 OIMCOWHAGXBJSI-SJLPKXTDSA-N 287.472 4.761 30 10 CJEE C=CCCCCCCN(C1CC1)[C@@H](C)c1cccnc1 2206894524 KZDUECHMSLMLPN-INIZCTEOSA-N 272.436 4.744 30 10 CJEE C=CCCCCCCC(=O)[C@](C)(CC)N1CCCCC1 2206898290 GNTRHTVWQAXYDD-SFHVURJKSA-N 279.468 4.737 30 10 CJEE CCC1CCC(C#N)(C[C@H]2C[C@@H]3COC[C@@H](C3)C2)CC1 2206976219 WLNPIEYRVOQZFO-GGZUSFGKSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCN1CC[C@H](OC)[C@H](C)C1 2207374093 AFUJBEGQDXEHRU-MSOLQXFVSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1COC[C@H]1C(C)C 2207376126 WKZYSTYUTIUIQA-ROUUACIJSA-N 281.484 4.506 30 10 CJEE C=CCCCCCCCCN1CC[C@H](CC)CCC1=O 2207378794 VOPUGOOHLNNWQI-QGZVFWFLSA-N 279.468 4.942 30 10 CJEE C=CCCCCCCCCN1CC[C@H]2C(F)(F)[C@]2(C)C1 2207380758 BYYQEGROBWEPNC-HZPDHXFCSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CCCC[C@H]1OC 2207431127 BSMMBYUOYBYPEM-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@H](CC1(CSC)CC1)NN 2207437634 PASHMPQNTQIASH-MRXNPFEDSA-N 298.540 4.658 30 10 CJEE C=CCCCCCCCC[C@H](N)COC1(C)CCCC1 2207440108 WTMWMNCZCCCKPU-KRWDZBQOSA-N 281.484 4.970 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1CC(C)C1)NCC 2207448084 ZIYFZEHVFMZSGX-HIEASXQVSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](CN)N1CC[C@@H]1CC(C)(C)C 2207451050 AXXIVMYAWJTCPJ-SJORKVTESA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCCCNC[C@H](OC)C1CCC1 2207451219 WUUDZJSADMCYOD-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H]1[C@@H](NCCC)CCN1CCC 2207453204 KORJDHYBUMXUEZ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@]1(C)CCCS1 2214613721 QGGHUCPSYYHKPW-LSDHHAIUSA-N 255.471 4.516 30 10 CJEE C=CCCCCCCCN(C)CC(C)(C)SC 2214616366 YTRJSSLSQNSMBV-UHFFFAOYSA-N 257.487 4.586 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1cc(C)cc(Cl)c1 2216169048 KQJAVWFKJMIKDO-QWHCGFSZSA-N 251.801 4.654 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)c(Cl)c(C)c1 2217671412 ZASVBQMLDMEONQ-HNNXBMFYSA-N 265.828 4.964 30 10 CJEE C=CCCCCCCCNCCC1CC(F)(F)C1 2220082369 KXMZOADPEAEINX-UHFFFAOYSA-N 259.384 4.538 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCC1(C)C 2220092994 OVBBQYBWHYZDJL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCOCCCN[C@@H](C)CC 2223191995 DSWHSILNGXHXBP-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)c(C(C)=O)s1 2223219438 NXJGSOPZMANEKO-SNVBAGLBSA-N 287.812 4.513 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1C[C@H]2C[C@H]2C1 2223833456 HFXBOBGLLKLMTP-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE C=CCCCC[C@H](N)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225322793 XGKPBYRVRVCTTN-XQLPTFJDSA-N 271.395 4.522 30 10 CJEE C[C@H](CCS)CCN(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2229813200 LEOISXDEQHSKBI-ARFHVFGLSA-N 285.541 4.869 30 10 CJEE N#Cc1ccccc1OCCCCCCCC1CC1 2230892541 RBIAHTOCAWBZFU-UHFFFAOYSA-N 257.377 4.688 30 10 CJEE CCCCCCCCCCOCC[C@H]1CCCC1=O 2231043498 ZUIALHMXUCIQMG-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(C2CCC2)cc1 2231690905 WPVDLPRGFLMMBD-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@@H](C(C)(C)C)CO1 2231856717 PUNCJEMGQXPORI-WBVHZDCISA-N 269.473 4.735 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@H]1C[C@H]2CCC[C@H](C2)C1 2233715250 IZYGXZXBZIMYNZ-BSHDOZJQSA-N 273.464 4.776 30 10 CJEE C=CCCCCCCC[C@@]1(CNC(C)(C)C)CCOC1 2235521265 HZHPKAGVTODJSN-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NC)C1(COC)CCCC1 2235525381 ZMMOTMJMIHZEOH-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CC(C)(C)OC1(C)C 2235532106 HCNOLBKYQAKVOV-JKSUJKDBSA-N 281.484 4.824 30 10 CJEE C=CCCCCCCCOc1ccccc1[C@H](C)NC 2235540263 VMMWSJAQSVSUGQ-INIZCTEOSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1(O)CCCCCC1 2235542742 VPPJESLFPJKGNN-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)c1ccc(Cl)c(F)c1F 2238720103 PCUUBTLVLGKVTI-LLVKDONJSA-N 299.792 4.708 30 10 CJEE Cc1cc(C)c([C@H](C)NCCC#CC(C)(C)C)cc1C 2238720262 RDXAXOKEOYAPCY-KRWDZBQOSA-N 271.448 4.702 30 10 CJEE CC(C)(C#N)CCCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1 2239209292 GUNONWHJRXAQGU-ZACQAIPSSA-N 276.468 4.512 30 10 CJEE OC1(C#Cc2cccc(Cl)c2)CC2(CCCCCC2)C1 2239452584 HESDBDJWRLHAKL-UHFFFAOYSA-N 288.818 4.557 30 10 CJEE CCCCCCCCCCOc1ccnc([C@@H](C)N)c1 2239495648 ROMXJBNMKUTTCY-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCCOC1(C(=O)O)CC(C)(C)C1 2239498488 DYYKJCGBOMUISF-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)O[C@](C)(C(=O)O)[C@@H](C)CC(C)C 2239504894 QAQHPPYSXGLTIB-UXLLHSPISA-N 284.440 4.663 30 10 CJEE CCCCCCCCCO[C@](C)(CCC1CC1)C(=O)O 2239527849 FNIDXPAHNRWKHH-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCO[C@](C)(C(=O)O)C1(C)CCC1 2239530307 OTEXKBVJOAMNHX-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCN[C@H](C)c1c(F)cc(F)cc1F 2239590377 FLFCMYMNCMOYDJ-GFCCVEGCSA-N 285.353 4.891 30 10 CJEE C=CC1(NCc2ccc(C3CCC3)cc2)CCCCC1 2240369724 WWRFSCSNYMBALR-UHFFFAOYSA-N 269.432 4.933 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H](O)CC(C)(C)C1 2240644216 GWEAMKMQUAHJEC-BBWFWOEESA-N 283.500 4.655 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ncoc1C1CC1 2240649756 QBCRGGOVHHLIOJ-CQSZACIVSA-N 278.440 4.781 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)C1CC(C)(C)C1 2240651908 YTJFBYRQYJPCCY-AEFFLSMTSA-N 283.500 4.512 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc2ccoc12 2241139542 VFJNUBSGLWXCSB-GOSISDBHSA-N 271.404 4.556 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(F)cc(Cl)c1 2250160353 XZOPQZPKPYIIFU-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CCCC[C@H](CC)[C@@H](O)CC=CC#CC(C)(C)C 2256730755 IPQRJMXGZFNCHK-HOTGVXAUSA-N 250.426 4.560 30 10 CJEE C=CCCCCCCCS[C@H](CCCC)C(=O)O 2258978389 KUGNVNPBWBOALC-CQSZACIVSA-N 272.454 4.890 30 10 CJEE C=C(C)CCCC[C@@H](O)Cc1cccc(Cl)c1F 2259182081 GTMRXUIJYNDPEH-CYBMUJFWSA-N 270.775 4.519 30 10 CJEE Cc1cc(NCC#CC2CCCC2)c(C)cc1Cl 2261108389 DFNLWUUGCXUPJB-UHFFFAOYSA-N 261.796 4.562 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1ccc(Cl)s1 2262370608 CKWXQEQZAHBLIR-GFCCVEGCSA-N 287.856 4.554 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](CC)[C@H](C)O1 2263649205 OXRCVMYOVVUZTL-HRCADAONSA-N 255.446 4.630 30 10 CJEE C=C(C)CCCCOc1c(Cl)cc(CN)cc1Cl 2264143819 OPQGXGIIFMWJPK-UHFFFAOYSA-N 288.218 4.577 30 10 CJEE SCC1(COCC[C@H]2CCCCC23CC3)CCCC1 2265002426 BKCBHXZJDSIJHX-OAHLLOKOSA-N 282.493 4.854 30 10 CJEE CCc1ccsc1[C@H](O)C1(C#N)CCCCCCC1 2267888221 HLWSJCMTHLJROK-HNNXBMFYSA-N 277.433 4.598 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H]21 2271793397 WHIGXQGKNOLEDK-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCNC1CC(C)(COC)C1 2273954898 SQIJRGIAZGVCQP-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCC#CC[C@H](N)C1CC(CC(C)(C)C)C1 2274211554 KDVOHLKFHWSMRS-JCYILVPMSA-N 263.469 4.750 30 10 CJEE CCCCCCC[C@H](CC1CC(C)C1)OCCCN 2276327197 MMRQNTZAELOONO-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C2CC2)CCO1 2278126398 CSCAKXFVQOGEOY-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1ccsc1 2278175744 KKQAHSCTFGEYIJ-MRXNPFEDSA-N 282.449 4.823 30 10 CJEE CCCCC#CC[C@H](NCC)C1(C)CC(C(F)(F)F)C1 2279185525 FGPCNJXGMBOPRZ-SLTAFYQDSA-N 289.385 4.527 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc2cccc(C)c2n1 2279592610 KKEMQSXQOUJPRG-MRXNPFEDSA-N 268.404 4.550 30 10 CJEE Cc1cccc2ccc([C@@]3(C#N)CCCC[C@H]3C)nc12 2279721605 BENNLZTXZMELCV-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE COC1(CSC[C@@H](C#N)C2CCCCC2)CCCCC1 2280309457 JRDZITJKMCEKHN-MRXNPFEDSA-N 295.492 4.789 30 10 CJEE C=CCC(C)(C)Oc1sc(CN[C@@H](C)CC)c(C)c1C 2280644038 RIVNNLBSQPUBTD-LBPRGKRZSA-N 295.492 4.987 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1ccc(F)c(Cl)c1F 2284115174 FVKMHWJBHDXOKN-CYBMUJFWSA-N 297.776 4.614 30 10 CJEE CC(C)CC1([C@@H](N)CC=CC#CC(C)(C)C)CCCC1 2284168976 HJARZNHNEIZXTB-KRWDZBQOSA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C(C)(C)C1CCCCC1 2284181836 WXLNFHWHATXHCX-QGZVFWFLSA-N 276.464 4.950 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1COC2(CCC2)C1 2284839347 GNTOGCMHTKXHOT-SJORKVTESA-N 281.484 4.804 30 10 CJEE C=C(C)CCCC[C@@](O)(CCC)c1ccc(OC)cc1 2287404466 XBSVDFVKUJYOFN-SFHVURJKSA-N 276.420 4.819 30 10 CJEE C=C(C)CCCC[C@@H](N)C1(c2ccccc2)CCCC1 2287414325 PARDVWJGRHSVSK-GOSISDBHSA-N 271.448 4.962 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1C[C@H]2[C@H](C1)C2(F)F 2287465130 HJMZZRCBDTXICS-JYJNAYRXSA-N 285.422 4.782 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)C[C@H](C)CC[C@H]1C(C)C 2287469357 FOTIEUBACHOWKI-RYRKJORJSA-N 280.452 4.515 30 10 CJEE CCC[C@@](C=O)(CC)CN1CCCC[C@H]1c1cccs1 2287683135 WQCUNZZTGVJUHE-RDJZCZTQSA-N 293.476 4.671 30 10 CJEE CCSc1cccc(N[C@]23CCCC[C@@H]2CC3)c1C#N 2289132182 MKIMEFLMIQHZSV-DYVFJYSZSA-N 286.444 4.805 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CCC[C@@H](C)C1 2289898406 DNQUAPZLZZGAAP-IEBWSBKVSA-N 275.480 4.766 30 10 CJEE CCCCCCCC1(OCC(=O)O)CC2(CCCC2)C1 2291925121 MPVGIDXUGUFRTF-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCC[C@H](CCC)CC1 2292882823 RDDNCRZUIAJZNU-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC12CC2)OCCCN 2293627027 QCPNGSMWGPACRP-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@](CC)(OCCN)c1occc1C 2293662280 ALIGENQZHVRDLA-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE CCCCCCCC1(OCCN)C[C@H]2CCCC[C@@H]2C1 2293668807 BKFJRKXYMGUSAV-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@@](C)(Cc1cccs1)OCCCN 2293890536 PWWSZEVUFSGOFP-KRWDZBQOSA-N 295.492 4.551 30 10 CJEE CCCCCCC[C@H](CC1CC(C(C)C)C1)OCCN 2293914955 FGRNNHODQRIFNG-DAWZGUTISA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCC[C@H]1C)OCCN 2294146290 USZPFIAETUHJDR-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1[C@@H](C)[C@H]1C)OCCN 2294189365 PHTOCXVBPYRTSR-XMTFNYHQSA-N 283.500 4.763 30 10 CJEE C=CCC[C@H](C)C1(OCCN)CCC(CC)(CC)CC1 2294226901 IPIXHTDKIYFROS-INIZCTEOSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@H]2C[C@@H]2C1 2294568532 QBFSHMRFLAELOP-KSZLIROESA-N 281.484 4.661 30 10 CJEE C[C@H]1CCC[C@@](C#N)(c2ccc3cccc(Cl)c3n2)C1 2294975773 BVQILPCSGMNTDG-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H](CC)CC(F)(F)F)c1 2295204630 HXZNBWUDSXXOSD-CYBMUJFWSA-N 279.305 4.601 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nc(CCC)ns1 2295585537 NNDADXSSQJKCMZ-MRXNPFEDSA-N 297.512 4.805 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCC=C(C)C 2295675426 BEYSMSHCEJTMMS-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(C)CCCN1C 2295677865 WBRHCBBFZNHXQM-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C1CCCC1 2295682131 MYDADZIATVJRJG-ROUUACIJSA-N 283.500 4.656 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1cccc(OC(F)F)c1 2295958690 WIYPKDYSGLVXTK-WFASDCNBSA-N 283.362 4.541 30 10 CJEE O=C1C(=Cc2cccc(Cl)c2)CC[C@H]1C1CCCC1 2297334109 CRRLBOLHOXGXHB-INIZCTEOSA-N 274.791 4.893 30 10 CJEE Cc1cccc(NC=CC(=O)c2ccc(Cl)cc2)c1C 2297352219 VOHXYIUVXZPRNZ-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Br)cc1C 2304021442 HZJMYCULVZISCQ-CABCVRRESA-N 296.252 4.750 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)sc1C 2304023384 AUSHEEDSLIKSHY-UONOGXRCSA-N 271.857 4.963 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC[C@@H]1NCCC 2313651358 NAZJEBLBMQRZHG-JKSUJKDBSA-N 267.482 4.551 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(C(F)(F)F)s1 2316713674 ZNMWKCJJJRNVEZ-LBPRGKRZSA-N 276.323 4.569 30 10 CJEE C=CC[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2318601280 HPLVBMMVTFIDRO-NHYWBVRUSA-N 286.246 4.726 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)c(Cl)c1OC 2319295399 GBIJJCYAGSHGLV-GFCCVEGCSA-N 288.218 4.619 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C2CC2)s1 2321132011 VTWZOEVZKADQSZ-LRDDRELGSA-N 263.450 4.878 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CCCC(C)(C)C1 2321225997 SFVCPQCRAGDBRE-UXLLHSPISA-N 252.442 4.946 30 10 CJEE CSc1cc(S[C@@H]2CCC[C@@H](C)C2)ccc1C#N 2328527933 BDNXCZKVAMTUFX-DGCLKSJQSA-N 277.458 4.951 30 10 CJEE CC(C)C[C@H](CS)CSc1nc2ccccc2s1 2328534905 OWSXMQCFOFQTCY-LLVKDONJSA-N 297.514 4.981 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329714757 VJNFSHKNIFFLFQ-LJISPDSOSA-N 273.411 4.616 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC(C)(C)CC[C@@H]1NCC 2335095461 BJWGXLGAHCESQX-JKSUJKDBSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)SCC[C@@H]1CCC[C@@H]1NCCC 2335095887 GZMDYJLKZOEMHW-RDJZCZTQSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCCC12CC2 2338739479 WFLNXNBANMPWDC-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE CN(c1ccccc1Cl)c1cc(Cl)c(F)cc1C#N 2339250374 JCGZNSWTBAFRBX-UHFFFAOYSA-N 295.144 4.772 30 10 CJEE C=CC[C@@H](CC(C)(C)Cc1ccccc1)NCCC 2339492828 SOHADXFAUFAQHH-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C#Cc1ccccc1NCC[C@@H](C)CCCC(C)C 2339925322 UXARAWMNYXSASM-INIZCTEOSA-N 257.421 4.932 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccnc1C(C)C 2342169302 CDCYZROXCBTYMN-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)cc1SC 2342381984 KYRWESZENDQTNP-PBHICJAKSA-N 277.477 4.970 30 10 CJEE C#Cc1cc(N[C@H](C)c2csc(Cl)c2)ccc1OC 2344080645 ZBOLNILEOZEHLS-SNVBAGLBSA-N 291.803 4.565 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(C)cc1)NCCC 2344372151 PRXOXFXELKHMLB-KRWDZBQOSA-N 259.437 4.508 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccccc1C(F)(F)F 2344419939 JGRSUEJDXWQLRT-CQSZACIVSA-N 270.294 4.881 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccccc1C(C)C 2344464740 AZHRAZGGOCSFQZ-ZWKOTPCHSA-N 260.421 4.706 30 10 CJEE C[C@H](C1CC(C)(C)C1)N(C)C[C@](C)(CS)C(C)(C)C 2352079286 JVQBSWDUEFAPJR-CXAGYDPISA-N 285.541 4.725 30 10 CJEE C=CCCSC1(C(=O)O)CCC2(CCCCC2)CC1 2352209656 PLQSCNDPXSSYQN-UHFFFAOYSA-N 282.449 4.644 30 10 CJEE O=C(C1=CCCCC1)C1CCC(CC(F)(F)F)CC1 2353612681 JALBDEOQLNYBKF-UHFFFAOYSA-N 274.326 4.815 30 10 CJEE N#C[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCOC12CCCCC2 2357096568 MTDWFAJCNQTRGP-BRWVUGGUSA-N 273.420 4.590 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@@H]2CC[C@H]1O2 2360179286 AZRXGOHEIKFYFO-XLAORIBOSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC[C@@H]1C[C@@H]1C 2360180469 ZVLCJJBFNJGDQO-BSDSXHPESA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@H](NCCC)c1ccccc1F 2360200379 HFVSOOQEUJDFOL-ZQIUZPCESA-N 295.467 4.953 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2[C@H](C[C@H]1NCCC)C2(C)C 2360205044 JDVCHHSFXFOUGP-YLFCFFPRSA-N 293.520 4.653 30 10 CJEE CCCOc1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1 21020195 GWYPGOQOCDSRSW-CQSZACIVSA-N 280.371 4.520 30 10 CJEE CN1/C(=C/C=N/Cc2ccccc2)C(C)(C)c2ccccc21 34132461 CEARKPPECRZMAB-DWUZODITSA-N 290.410 4.569 30 10 CJEE CCCN(C1CC1)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147127 TUTUKHMAAMOODQ-INMHGKMJSA-N 276.468 4.605 30 10 CJEE CCc1cccc(OCCC[C@@](C)(C#N)c2ccccc2)c1 57687490 CEYNTMTVFRTPDQ-FQEVSTJZSA-N 293.410 4.889 30 10 CJEE CCCCCCC[C@H](N)c1cc(OC)c(OC)cc1Cl 59211490 IKPCDVIGGZXSHU-AWEZNQCLSA-N 299.842 4.718 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)c(C(=O)OC)c1 59451603 PYQPHGZGDCKHMO-ZDUSSCGKSA-N 295.398 4.773 30 10 CJEE C=CCCCOc1ccc(Cl)cc1CNC(C)(C)C 71274905 FGPQCBIDWPXPIR-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1cccs1 83194159 ZYZSGQFFPGBZMJ-AATRIKPKSA-N 292.787 4.615 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCC(C)(C)CC1 86914216 PULUDCLUZOBMNW-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CC(C)(C)[C@H](CS)CSc1cccc(F)c1 87114897 BKMHYPWLWZLOFW-SNVBAGLBSA-N 258.427 4.510 30 10 CJEE CN(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 87759895 BMFLUUJQICYFIN-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 88513556 SKDPDXXFLDMHPE-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@@H](C)c1ccccc1Cl 94579709 PMVCHEZZEAAYSM-QWHCGFSZSA-N 285.884 4.535 30 10 CJEE COc1ccccc1SC[C@@H](CS)c1ccccc1 94589610 SZTFPVIYJHBZML-CQSZACIVSA-N 290.453 4.501 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ncccn1 107685790 NYKAJOJIMQCFQW-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CCCCCCCC[C@H](NC)c1ccccc1OC 109715902 PIODUBFVAQCSHQ-INIZCTEOSA-N 263.425 4.706 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)c(F)c(F)c1 109730240 FXBRJOLLIDJTRW-CQSZACIVSA-N 273.342 4.725 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccc(CC)cc1 110081390 ZTVLQGOTFWBUEL-IBGZPJMESA-N 291.479 4.887 30 10 CJEE CCCCCCCCn1ccc2cc(C(=O)O)ccc21 113435043 CIMONVCNHVZYSO-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@@H]1CCC 114071333 SNWOHRRGOAKEOQ-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@]1(C)CC 114348974 WXCPQNOLKCOYBJ-GOSISDBHSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](CSC(C)(C)C)NC 114863821 QIZJCLMVZOKOFD-CQSZACIVSA-N 259.503 4.857 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCc2ccccc21 115840348 ZWKGYLMIHMEEQP-IBGZPJMESA-N 273.464 4.970 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C2CCC2)cc1 124954644 AUVFAZDELNNCSE-GOSISDBHSA-N 274.452 4.819 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(F)ccc2Cl)C1 126019587 DHGJMOYKLQDUGO-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE N#Cc1oc2ccccc2c1Oc1ccc(C=O)cc1Cl 126143004 ZBDXSBSEPZVWQA-UHFFFAOYSA-N 297.697 4.563 30 10 CJEE Cc1cc(Cl)c(Nc2ccccc2C#N)cc1Cl 132205698 VFUWAVDMLKNQDP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCOC[C@@H](NCCC)[C@@H](C)CC 132882307 CEUOTTQNCMRDRW-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC[C@H](O)c1snnc1CC 135558547 LQIMXOPMIXWHGL-AWEZNQCLSA-N 284.469 4.665 30 10 CJEE N#CC1(C[C@@H]2COc3ccccc32)CCCCCCC1 156746180 IDRWMIRYNZMMGR-OAHLLOKOSA-N 269.388 4.807 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@H]2CC[C@@H]1O2 162014453 WBBIFLLRVSCDEJ-KURKYZTESA-N 281.484 4.817 30 10 CJEE C=CCCC[C@H]1C[C@H](CCC)CC[C@H]1CNC1CC1 227527014 SXTPRVLWPFGDNC-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCC[C@H]1CO 231308218 VMFJWXRXDKOVRT-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE C=C(CC)CC(=O)c1ccc(Cl)cc1Br 232818457 HRPWHAJPJYURPT-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCCCCCCCNCC[C@@H]1CCOC1 232936319 FTSGZFXJCVDCLF-GOSISDBHSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H](OCC)C1(C)C 232950676 OXFDCPMNIQQYNW-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=CCC[C@@H](NCCC)c1scc(C)c1Cl 233162281 MWHQPKATYMLSPK-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c3ccccc23)C1 235426524 AOTQIJWQXRUFFK-UKRRQHHQSA-N 264.372 4.702 30 10 CJEE C=CCCCCCC(=O)c1ccc(Cl)cc1C 235797089 KDNWAQXZGCEXQP-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(F)c(Cl)cc1F 236549547 OFFPRCNEKXGCCM-CQSZACIVSA-N 274.738 4.788 30 10 CJEE CCCCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@H]1C 250815062 IXFCVTBMXCCPRE-IPMKNSEASA-N 296.543 4.836 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](OC(C)(C)C)C1 251234211 HWAWBXYMEWWBNR-MCIONIFRSA-N 251.414 4.546 30 10 CJEE CC(F)(F)Cc1ccc(C2(C#N)CCCCC2)cc1 260516368 KEDITEUDUCTPLU-UHFFFAOYSA-N 263.331 4.610 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)CCCC 300956454 PSAZEQZUFPRTTK-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(C)c(C)o1 302443439 UIMJJILCLGJUPV-OAHLLOKOSA-N 251.414 4.908 30 10 CJEE CCCCCCCCC[C@H](O)CC#CC(C)(C)C 305894807 BXMGXHNEXPGMCW-INIZCTEOSA-N 252.442 4.928 30 10 CJEE CC(C)(C)c1ccc([C@]2(C)CCC[C@H](CC#N)O2)cc1 312602884 FCVQLKXQCKRQND-AEFFLSMTSA-N 271.404 4.682 30 10 CJEE CC1(C)CCC([C@@H](O)C2(C#N)CCC(C)(C)CC2)CC1 313187720 WPGWENYXYJZSEU-OAHLLOKOSA-N 277.452 4.674 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCSC(C)(C)C)C1 317393928 YTABPOLNKDUYGE-DZGCQCFKSA-N 256.455 4.694 30 10 CJEE C=CCC(C)(C)COCc1ccccc1Br 378682773 UICUKPCCQIIQPR-UHFFFAOYSA-N 283.209 4.568 30 10 CJEE CCC(CC)(c1ccccc1)c1nc(CCC#N)cs1 380115504 PRKYXFHJCGNRRR-UHFFFAOYSA-N 284.428 4.705 30 10 CJEE CC1(C)CCC(/N=C2/N[C@H](C3CCCCC3)CS2)CC1 386085893 DXRBZEGMWNBPRO-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCC(C)(C)c2ccccc21 393786330 VBSROAZVGXIGFQ-WMLDXEAASA-N 257.421 4.743 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@H](C#N)C1CCCC1 397136378 VNNSLRHSFADUHV-HIFRSBDPSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)CCc1cccc(C)c1 398187567 QLVNQRDIPWOWHA-IRXDYDNUSA-N 259.437 4.651 30 10 CJEE CCCCCCCCCCNCCC[C@H]1CCOC1 400597185 CXGGFMSIOOGAMR-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1c(Cl)cccc1Cl 400844949 KEPMYAKOKGUQST-WDEREUQCSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](CC)CC(F)(F)F 402760543 YHXFRKSLKAASDZ-QWHCGFSZSA-N 267.379 4.914 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C(F)F)c2Cl)CCC1 480554490 MUDZEURGZCXGHD-UHFFFAOYSA-N 299.748 4.963 30 10 CJEE Cc1c(OC(F)F)ccc(C(F)F)c1C(F)(F)F 575664647 KFKPGOWPPBSHIE-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE 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CCC(CC)(CS)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1 708583038 CJKLRUQYMUTVSA-GJZGRUSLSA-N 285.541 4.869 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCCC[C@H]1C(F)(F)F 710617956 VJWHTGRFIGTBAN-UPJWGTAASA-N 297.792 4.866 30 10 CJEE CC(C)C(C)(C)C[C@@]1(C#N)CCCc2ccccc21 713369255 ZMEFPTATOINIDM-GOSISDBHSA-N 255.405 4.857 30 10 CJEE C=CC[C@@H](C)c1cc(OCc2ccccc2)ccc1O 715702926 AETMYSNPYZNEEZ-CQSZACIVSA-N 268.356 4.651 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1C2CC3CC(C2)CC1C3 715705475 NOMMKMJEJFBGNB-HGHKKHINSA-N 275.480 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1 715726852 VMPVHWXBKDWGHU-IUODEOHRSA-N 296.252 4.620 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NCC 717020420 AMUMUMUTCQSHNM-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CC(C)(C)CC[C@H]3C)C[C@@H](C1)C2 717491971 UPTOTQVFENXXDE-WKUFJEKOSA-N 275.480 4.926 30 10 CJEE CCCC1CCC(C=O)(CCCC(C)(F)F)CC1 718682983 MYGHVVHVMNQLKE-UHFFFAOYSA-N 260.368 4.988 30 10 CJEE CCCCCCCCSC1CCC(C(=O)O)CC1 720446108 UWPRAJWDHQFORZ-UHFFFAOYSA-N 272.454 4.724 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 721398450 RPNBJRVYJPONDN-QPPOZKHWSA-N 289.341 4.597 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2C[C@@H]2c2ccccc2)CC1 724615040 CQFGROASPPRLAJ-QRVBRYPASA-N 269.432 4.515 30 10 CJEE C1CCC(C/N=C2/N[C@H](C3CCCCC3)CCS2)CC1 725106844 ZLAXQEVXGFPIIQ-INIZCTEOSA-N 294.508 4.598 30 10 CJEE N#Cc1cc(C(F)(F)F)c2sccc2c1C(F)(F)F 725324632 MZZZSBFITWYGFM-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE C=CCC[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 925581382 YPCIGBPGXRFFER-DZGCQCFKSA-N 272.417 4.501 30 10 CJEE C#CCCCCCCSC1CCC(F)(F)CC1 1166918088 KSQOIFOPECMOGG-UHFFFAOYSA-N 260.393 4.881 30 10 CJEE C=CCCCCCN1CCC[C@H]1/C=C\c1ccccc1 1176639004 AXPJNMIKLLHQKI-AVCMKVNGSA-N 269.432 4.911 30 10 CJEE C=CCCCN(CC)Cc1ccccc1Oc1cccnc1 1176798835 ZWYMTFACIZIRFS-UHFFFAOYSA-N 296.414 4.662 30 10 CJEE C=CCC[C@@H](NCc1cccc(C)c1)c1ccccc1 1178249372 ODGSFXBSKPBMAP-LJQANCHMSA-N 265.400 4.792 30 10 CJEE C=CCCC[C@@H](NCc1cc(C)cc(C)n1)c1ccccc1 1197376449 DQNGVTDGKVMSOF-HXUWFJFHSA-N 294.442 4.886 30 10 CJEE C#CCCCCCCN(Cc1ccc(CC)cc1)C1CC1 1205207823 DXTMAZNIRBWOPM-UHFFFAOYSA-N 283.459 4.797 30 10 CJEE C=CCC[C@H](CCC)NCc1csc(C)c1C 1207092225 COOZZAKUBADNFD-HNNXBMFYSA-N 251.439 4.589 30 10 CJEE CC1(C)CC(=O)C=C(c2cc(F)cc(C(F)F)c2)C1 1242317706 WWZRWODAFPBOKJ-UHFFFAOYSA-N 268.278 4.536 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CCN(CC)CC1 1258230189 RQXASIJWRBOETP-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE C=C(C)CCC(=O)N[C@@H](CCCCC)c1ccccc1 1264936858 HKOJRNHVRIHNIA-KRWDZBQOSA-N 273.420 4.781 30 10 CJEE C=CCCCCSc1nc(NCC)c2ccccc2n1 1307277035 HMRPOFQDWIYEBH-UHFFFAOYSA-N 287.432 4.510 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(Cl)nc1 1462020854 KYTAENBXPAZADT-LBPRGKRZSA-N 252.789 4.672 30 10 CJEE C=CCCc1ccccc1NC[C@@H]1CC[C@@H]2C[C@H]2C1 1462152608 XEGXKEUIORFOCH-DJIMGWMZSA-N 255.405 4.653 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1462337367 YODDVUIDHGIORP-COXXTLHVSA-N 295.470 4.588 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](CC1CCC1)c1ccccc1 1520430471 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2224788437 JSUJDRNXFKMLEP-INIZCTEOSA-N 283.481 4.906 30 10 CJEE C=CCCCCCCCCOc1ccc(N)cc1F 2225665593 GDOHJJHJKJNWPX-UHFFFAOYSA-N 265.372 4.703 30 10 CJEE N#Cc1c(Cl)cccc1NCCCCCCC1CC1 2225811285 LNDXWEHFELMEHM-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE Cc1cc(C)c(CN(C)c2ccc(C#N)c(Cl)c2)s1 2225894723 VXKRUNZDYRYVLO-UHFFFAOYSA-N 290.819 4.526 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1CCSc2ccc(Cl)cc21 2226321097 CMXPAWQULUWINZ-HIFRSBDPSA-N 293.863 4.514 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1ccccc1F 2227277185 WTCRMMOWEGLSNZ-KRWDZBQOSA-N 263.400 4.916 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@H]1C1CC1 2227291841 VLXSGVRDTCMJNC-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCOCc1cc(Cl)nc(C)n1 2231028730 UBCAWLVQKCLBBN-UHFFFAOYSA-N 284.831 4.706 30 10 CJEE C=C[C@H](CCCCC)OC(CCC)(CCC)C(=O)O 2231039838 JUZYETGABBOTNA-CQSZACIVSA-N 270.413 4.562 30 10 CJEE CCCCCCCCCOCC(=O)C1CCCCC1 2231061662 BFGTVPBBLIJLEU-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCCCOCC[C@@H](C)NCC 2231081449 ZDMAEPJFZZDFHV-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccncc1CC 2231902282 UEZVMMSQWVVFSI-QGZVFWFLSA-N 262.441 4.569 30 10 CJEE C=C(C)CC[C@@H](C)NC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233685272 NAVLDFVITHOWSX-FPCVCCKLSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CC12CC(F)(F)C2 2235519535 QTWQQMZBYJMIAD-HNNXBMFYSA-N 286.362 4.793 30 10 CJEE C=CCCCCCCC[C@@H](N)C1([C@@H]2CCCCO2)CC1 2235523160 BXMNTMOXASYHIB-SJORKVTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCO[C@@H]1CCCC[C@H]1NCCC 2235526030 GWTIENJDWOGWFF-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CC[C@@H](C)OCc1cccc(CN[C@@H](C)CC)c1Cl 2238949365 PXTWMEWFONAEDK-UONOGXRCSA-N 295.854 4.709 30 10 CJEE CCCCCCCOCC1(CNCCC)CCCCC1 2239375714 NBXAEWLSHYXITI-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCOC[C@H](NC)C1(C)CCCC1 2239462360 JBBACEXGSZYMGY-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOC[C@@H]1NCCC1(C)C 2239488739 BYHQEPMJZOKPHK-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOC[C@H](N)[C@@H]1CCC1(C)C 2239489089 FUKVWAOVWKYGOM-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCCOc1ccc(N)c(OC)c1 2239491827 FEYCJZUXWGTNGK-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](NCC)C1CC(C)(C)C1 2239498713 KKMGYUFJEPDKCT-DLBZAZTESA-N 281.484 4.552 30 10 CJEE CCCCCCCCCOc1nc(C(=O)O)ccc1Cl 2239525615 OBVPTFDONCXNNQ-UHFFFAOYSA-N 299.798 4.563 30 10 CJEE CCCCCCC[C@H](NC)c1ccc([C@H]2CCOC2)s1 2240443317 CFGQSXONHSGSBN-GJZGRUSLSA-N 295.492 4.873 30 10 CJEE C=C1CC(CCCC(F)(F)C(F)(F)F)(CNC(C)C)C1 2240468022 CNPRMZJRPOLMHD-UHFFFAOYSA-N 299.327 4.689 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H](CC)[C@@H]1C 2240562440 LJYQDBDBGHPVHI-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N1CC[C@@H](CC)C[C@@H]1CN 2240575277 UUVIPQWYIKQOGN-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)CN1CCCCC1 2240653957 MGWOQAPCHWOPEU-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CCCCCNc1cc(F)cc(Br)c1C 2244841870 RCPZJINHAJAFOV-UHFFFAOYSA-N 286.188 4.665 30 10 CJEE C=C1CC([C@@H](O)c2cc(Br)cc(C(C)C)c2)C1 2247238933 NHSLKXFAOCZQQM-OAHLLOKOSA-N 295.220 4.572 30 10 CJEE SCC1(CS[C@@H]2C[C@@H]3C[C@@H]3C2)CCCCCC1 2249215462 PZCKNCLRBCESFB-WDNDVIMCSA-N 270.507 4.789 30 10 CJEE CN(CCCCCCCS)Cc1ccc(Cl)s1 2252652110 WTTYZNJVNGFEKV-UHFFFAOYSA-N 291.913 4.714 30 10 CJEE COc1ccc(SCCCCCCCS)cc1 2252654307 YSSQPRKWVGYVCA-UHFFFAOYSA-N 270.463 4.668 30 10 CJEE CCC(CC)(CC)[C@H](O)CC=CC#CC(C)(C)C 2256775438 CJYQHAAFSAYRJY-OAHLLOKOSA-N 250.426 4.560 30 10 CJEE C=C(C)CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N 2259194736 MJXXHCKWOYKZES-XHSDSOJGSA-N 251.458 4.913 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1csc(Cl)c1 2262829862 CEUNLIUQLXTIIQ-CYBMUJFWSA-N 287.856 4.554 30 10 CJEE CN(CCCCCCCS)C1CCC2(CC1)CC2 2263206510 RPOASOFCBKFMOS-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](C)CCOC 2263661528 NXJIJASPVUKCHY-JKSUJKDBSA-N 258.446 4.551 30 10 CJEE CC1(C)C[C@@H]1CSc1ccc(C#N)c(C(F)(F)F)c1 2265221631 VQNDSRMBNDKRDS-SNVBAGLBSA-N 285.334 4.715 30 10 CJEE CC[C@@H](C)c1ccccc1OCC1(CS)CC(C)C1 2265295664 UOFCYFAUKFCEQQ-XOYHFGRZSA-N 278.461 4.925 30 10 CJEE C#CCCCCCC(=O)c1cc(Cl)c(OC)cc1Cl 2266841372 NLDOWQVKANGVGD-UHFFFAOYSA-N 299.197 4.768 30 10 CJEE CC[C@@](O)(CC=CC#CC(C)(C)C)C1CCCCC1 2268730925 XJZRZFIQASWQIW-GOSISDBHSA-N 262.437 4.704 30 10 CJEE CCCN[C@@H]1CCCC[C@H]1CC=CC#CC(C)(C)C 2268743417 RLWFSBZYAKOHAZ-IAGOWNOFSA-N 261.453 4.541 30 10 CJEE CCCCCCCCCCN=c1cc(CC)cc[nH]1 2269958709 FJYKKGKQLFUGML-UHFFFAOYSA-N 262.441 4.619 30 10 CJEE C=CCCCCCCCSCCC[C@@](N)(C#N)CC 2271518131 XPHBSCVYSNXZDJ-MRXNPFEDSA-N 282.497 4.657 30 10 CJEE C=CCCCSc1cccc(F)c1CNCC(C)C 2271582956 TYEJPTATOVRCEN-UHFFFAOYSA-N 281.440 4.630 30 10 CJEE CCCCCCCCC[C@H](CC1CC1)OCCCN 2276433141 HLNWOIUXPADRKH-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CCC[C@H]1C 2277127080 DHOUCICXUNOGLK-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@]1(C)CCC[C@H](CCN)O1 2278127157 LKRJKIBTOLJQOD-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCC[C@](C)(N)CC1CC(OC)C1 2278178063 YMIKWPOLTAZNOA-JCYILVPMSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@H](OC)C1 2278236473 QRUWXKSANXBTLS-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CC[C@H](CC)N[C@@H](c1ccccc1)C1CCCC1 2278270818 AHALKYHJWBOKKX-ROUUACIJSA-N 257.421 4.862 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc2cccnc2s1 2280190774 FWRFTCOOKFJAIK-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(C)c(C#N)c(C)c1 2280562026 DOISHBHMZHXYAS-MAUKXSAKSA-N 270.420 4.946 30 10 CJEE Cc1cc(NCC2CCC(C)(C)CC2)cc(C)c1C#N 2280585829 MCNCGPOBXBIDFY-UHFFFAOYSA-N 270.420 4.803 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CC1(F)CCC1 2284171772 WSTQNCKNFRHSSZ-MRXNPFEDSA-N 279.443 4.633 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1nccc(C#N)c1Cl 2284893819 ZZDNLRMWFDWMPE-CYBMUJFWSA-N 294.826 4.838 30 10 CJEE CCCC[C@@](C)(C#N)Cc1cccc(OC(F)(F)F)c1 2286785639 MXCOVBVEFUALLT-CQSZACIVSA-N 285.309 4.848 30 10 CJEE C=C(C)CCCC[C@H](CCOc1ccccc1)NCC 2287468614 WWZGRYHUPZMOTF-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(CC2CC2)CC1 2289855800 VUXKOBSNEBDLHT-GOSISDBHSA-N 273.464 4.519 30 10 CJEE C=CCCCO[C@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2290219595 LMJDQHAHQGTSJU-CVEARBPZSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H]1C[C@H]1CCC 2290889901 MUZAJSQZYSLSJN-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@](C)(CC1CC=CC1)OCCN 2293544452 COCMKPUTNBHQCT-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccc(F)cc1 2293723259 RRLBNCHYTGIHDT-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE C=CCCCCCCC1(OCCN)CC(CCCC)C1 2293990968 FJPYDEVTZCIKLU-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCC[C@@H](C)C1 2294003817 OTJLOPJYXAOLKV-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)c(C)c1 2294300116 TZHDAWCYHAWRAC-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)[C@H](C)C(C)C 2295523524 ZWLPDBXPUSZYQQ-MSOLQXFVSA-N 284.532 4.821 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1OCC[C@H]1C 2295677579 CZQAXIXVCODGLW-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](CCC1CC1)NC 2295685450 XRHSBSGGWLOXRZ-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCC[C@H](CC)CSCC[C@@H]1CCCC[C@@]1(N)C#N 2295712346 WJIZJVNDLHPSAL-YESZJQIVSA-N 296.524 4.737 30 10 CJEE CCCCC#CC[C@@](N)(c1ccccc1)C1CCCC1 2295769316 RRMOAQQPUQVICB-LJQANCHMSA-N 269.432 4.615 30 10 CJEE C=C[C@@H](C)CCN(C)CCCCCCCCCCCN 2296285845 FSFZOALUUYRDSA-GOSISDBHSA-N 282.516 4.600 30 10 CJEE C=CC[C@H](C)S[C@H](c1cccc(Cl)c1)[C@H](N)CC 2313641309 IOVGGLVURJJTQF-NILFDRSVSA-N 283.868 4.816 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)c(Cl)c(C)c1 2321095092 GARAPDCZVCOXPV-HZPDHXFCSA-N 265.828 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCC1(C)C)NCC 2321096289 QJWJSAGBBMGOOG-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H](C)C1CCC1)NCC 2321102699 SUQKDMZUMOJLSE-PVAVHDDUSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(F)cc1Cl 2321118347 SHNXYWDZGBERTO-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H](C)[C@H](C)C(C)C 2321132535 ZMEVJUOJAQIUKI-OWCLPIDISA-N 253.474 4.885 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CCC(C)CC1)NC 2321133119 DABKKUMJSSJQOK-GQGLESIBSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)S[C@@](C)(CCCCCCC)C(=O)O 2327018868 QNTQJPXZJYWPSG-HIFRSBDPSA-N 272.454 4.888 30 10 CJEE CC(C)C[C@@H](CS)CSc1cc2ccccc2[nH]1 2328534131 DYARUAMGLCIDPZ-LBPRGKRZSA-N 279.474 4.852 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2sc(C)cc2s1 2335194710 RGNQOACZBMVBQV-UHFFFAOYSA-N 292.425 4.949 30 10 CJEE C=CCC(CC=C)Sc1c(F)cccc1CNCC 2335233747 BFOPIHZKUYOPNK-UHFFFAOYSA-N 279.424 4.548 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(COC)s1 2336714866 VGEPIYFCNNDZNT-HNNXBMFYSA-N 283.481 4.906 30 10 CJEE C=C1C[C@@H]1CC(O)(C1CCCCC1)C1CCCCC1 2338426054 VJGYBYNUQBOQRW-OAHLLOKOSA-N 262.437 4.844 30 10 CJEE CC=CC[C@@](C)(CCCCCCCC)OCC(=O)O 2338488103 SPTRLYYJLSQLLK-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CC=C(C)CC 2338525434 WGTUCCBZLBJYED-INIZCTEOSA-N 268.441 4.804 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1CCCC(C)(C)CC1 2338725846 VRSSEXWILZKNJV-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](N)c1sc(C(F)(F)F)cc1C 2338732960 NLMWLXZZFXQBTC-LBPRGKRZSA-N 289.366 4.844 30 10 CJEE CCSc1cccc(N[C@H](C)[C@@H](C)C(C)C)c1C#N 2339945761 ZQKFDPJSBLNQJU-QWHCGFSZSA-N 276.449 4.763 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc(OC)c(Cl)s2)C1 2340264994 NTVGEELPJKXMTR-GFCCVEGCSA-N 299.867 4.807 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341893107 KXENZBMZXQVURY-FLXSYLCISA-N 261.453 4.537 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC(=C2CC2)C1)NCC 2344349223 QWZZUXCMICQNCV-QZTJIDSGSA-N 261.453 4.847 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc2cccc(C)c2o1 2344369030 LNMZILJCOUMLNO-INIZCTEOSA-N 257.377 4.604 30 10 CJEE CC1(C)CCC[C@](C=O)(CCC2(C(F)(F)F)CC2)C1 2344787064 BOLMQNNXXZRXOK-ZDUSSCGKSA-N 276.342 4.895 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NN 2358323560 PNWZWFUFQQKYBN-SQNIBIBYSA-N 278.484 4.705 30 10 CJEE C#CCCCCCCCCCCO[C@@H]1CCCCO1 5112353 OFKZWVVQWWNQOU-KRWDZBQOSA-N 266.425 4.674 30 10 CJEE CC/C=C\C[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 13512452 PMTMAFAPLCGXGK-GTOOTHNYSA-N 292.419 4.529 30 10 CJEE biogenic,in-vivo C=C(C)COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 14784365 NGVHKSSNCHXVPA-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE N#Cc1ccccc1Sc1ccc2ccccc2c1 35121793 BSULVVJMOMZUJW-UHFFFAOYSA-N 261.349 4.863 30 10 CJEE CCN(CC(C)C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147214 KOOQNCCRVZLDAE-BRWVUGGUSA-N 278.484 4.709 30 10 CJEE Cc1ccc(C)c(/N=C2/N[C@@]3(CCC[C@@H](C)C3)CS2)c1 53099128 XJKVRKWDUCYFIG-CXAGYDPISA-N 288.460 4.576 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2ccccc2F)c1C 57686480 WQZDFRSLEDYGDY-INIZCTEOSA-N 297.373 4.909 30 10 CJEE Cc1cc(C)cc(OCC[C@H](C#N)c2cccc(F)c2)c1 57688844 RGLLDFDLJCQMOR-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE C[C@@H](C#N)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21 57800491 RQHGMQQGNOGWEX-LBPRGKRZSA-N 295.773 4.516 30 10 CJEE CCCCCCCCNc1cccc(Cn2ccnc2)c1 59471588 POCGFRDYZSZVDT-UHFFFAOYSA-N 285.435 4.704 30 10 CJEE Cc1ccc(Oc2cc(C#N)c3ccccc3n2)c(C)c1 68796554 CKOGPYULFSOTPQ-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 71132206 MXBSMMJLNLTTQM-NEPJUHHUSA-N 263.768 4.559 30 10 CJEE CC(C)COc1ccccc1-c1cc(C#N)c(C(C)C)o1 77079242 LIQFGMAVUSGXLC-UHFFFAOYSA-N 283.371 4.976 30 10 CJEE CCC[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 79343606 RVIVJZXDRMTOSS-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CC1(C)[C@@H](Nc2ccc(Cl)cc2C#N)[C@@]2(C)CC[C@@H]1C2 80150863 SSXXXNPNRCRALQ-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE Cc1ccccc1-c1nc(C(C)(C)C)c(CS)s1 82438667 BHENYBIUFNTKMJ-UHFFFAOYSA-N 277.458 4.846 30 10 CJEE CC1CCC(C#N)(Cc2ccc(Br)s2)CC1 83776211 BHNYWOQTCIYNSS-UHFFFAOYSA-N 298.249 4.773 30 10 CJEE CC(C)c1ccc(SCC2(CS)CC2)cc1 87096331 LJSSSOREPPMRHY-UHFFFAOYSA-N 252.448 4.612 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCC[C@@H]1C(=O)O 91351544 TZJHJWYLQRLGKS-SJORKVTESA-N 297.483 4.608 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2cc(C)ccc2C)C1 91878628 LRERTDHTXBQMDW-BHIYHBOVSA-N 285.431 4.621 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCS[C@@H]1C 94477848 HTZIACLSIUQYGY-CHWSQXEVSA-N 279.474 4.661 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc(C(C)(C)C)cs1 103939213 KYEDVHYGBACAAK-MRXNPFEDSA-N 282.497 4.975 30 10 CJEE CCCCCCCCCn1c(N)nc2cc(F)c(F)cc21 105540249 JLMUOSQQWVGXCA-UHFFFAOYSA-N 295.377 4.647 30 10 CJEE CCCCCCCCOCCCC[C@@](C)(C#N)NCCC 106113091 SPPOIYJRJJJTAX-SFHVURJKSA-N 296.499 4.816 30 10 CJEE CC#CC[C@H](C)c1c(OCC)cc(C)c(Cl)c1C 107623620 WOOCJGJLWFMDCV-NSHDSACASA-N 264.796 4.872 30 10 CJEE CCCCCCCCCn1nc(C)c([C@@H](O)CC)c1C 108045086 LKJPSXMPWHMAIG-INIZCTEOSA-N 280.456 4.694 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2)cc1Cl 110252841 DMMXAVYZJUIAPE-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCCCCCNCCc1cccc(C)c1 110449056 MILZOCFQMDBSDE-UHFFFAOYSA-N 261.453 4.878 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CNCCC 111610470 YAFXYATULJSMIH-LJQANCHMSA-N 296.543 4.981 30 10 CJEE C[C@H](CC(=O)[C@H](C#N)c1c(F)cccc1Cl)C(C)(C)C 111650402 LFCWEWNPIAZQAS-MNOVXSKESA-N 295.785 4.728 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Br)cs1 112459244 IMPMAQXGOLYPRL-LLVKDONJSA-N 291.254 4.905 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 112699078 IMZGAFYMILJRMI-UHFFFAOYSA-N 288.347 4.619 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OC)cc1F 115062870 KRJZZFSTMKTHON-INIZCTEOSA-N 267.388 4.585 30 10 CJEE CCCCCCCC[C@@H](N)C(CC)(CC)N1CCCC1 118171517 FFDSJECLHPWKJJ-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE N#CCC[C@H](C#N)COc1ccc(C2CCCCC2)cc1 119241538 WSBXMBVBBYPHBP-OAHLLOKOSA-N 282.387 4.557 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(OC(C)C)c1 122366413 NTWLTYMRSDCNSA-GOSISDBHSA-N 292.467 4.729 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)cc(Cl)c1 125649794 NETFHLNKUPTCCA-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC(C)C)C1CCCC1 129631734 SYGYEFWSFOAAQR-LJQANCHMSA-N 296.543 4.965 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccncc1CC 130390783 NVDILPSJTASQGM-SFHVURJKSA-N 291.483 4.679 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccoc1C 130818056 KFSZQYHIVULZFH-MRXNPFEDSA-N 266.429 4.623 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)cc1Cl 131942708 RUNLQVVLJSFOMJ-SECBINFHSA-N 288.616 4.869 30 10 CJEE CCSc1cccc(Nc2ccc(F)c(F)c2)c1C#N 136610658 DHYUIFSDAYOFCH-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE CCSc1cccc(N(C)c2ccc(C)cc2)c1C#N 136655401 DZVPBRBMKYYPQO-UHFFFAOYSA-N 282.412 4.747 30 10 CJEE C=C(CC)C[C@H](O)c1cccc(OCc2ccccc2)c1 137135660 HKMPYQFGGBREPV-IBGZPJMESA-N 282.383 4.655 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)cccc1OC 155995551 NCLJYVNTRJGGEU-CQSZACIVSA-N 267.388 4.585 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCCO1)NCCC 158008719 XEEYFAVPVUHYCY-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1ccc(C(C)C)cc1 158945853 KJSFHVSUQCGCLM-LJQANCHMSA-N 273.464 4.790 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H](OCC(C)C)C1(C)C 159185071 NLJLEQOJKXDPOU-SJORKVTESA-N 283.500 4.776 30 10 CJEE N#CC1([C@H](O)c2cc(F)cc(Cl)c2)CCCCCCC1 161409100 XSYRTQIFIGMGDM-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C#N)cc1F 168370869 QUUMEIRQOMOVGS-UHFFFAOYSA-N 290.382 4.777 30 10 CJEE C=CCCC[C@](C)(O)c1ccc(-c2ccccc2)cc1 168806453 ZAJQDBCUGBEESN-IBGZPJMESA-N 266.384 4.917 30 10 CJEE Cc1ccccc1[C@H](C)NCc1ccccc1C(C)(C)C#N 181560658 QBUKWYJIXLUJQQ-INIZCTEOSA-N 292.426 4.647 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc(Cl)cc1Cl 203445126 ABUJQPNKRNSECG-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 212175717 SXTPRVLWPFGDNC-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 212267856 NYJFOFHFYFBWHS-BRWVUGGUSA-N 263.469 4.783 30 10 CJEE Cc1c(Cl)cc(C(C)(C)C#N)c(C)c1Br 219092063 FRBRCGZXPHWORE-UHFFFAOYSA-N 286.600 4.521 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC(C)(CC)CC2)C1 222807489 VSTMXVZPFXRGCU-IKGGRYGDSA-N 276.468 4.607 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc(OC)c1F 229059816 NYAJMTGULVOKFS-OAHLLOKOSA-N 281.415 4.975 30 10 CJEE CCCCN(c1ccccc1)c1nccc(C#N)c1Cl 233009847 GUDWOHZKFNPPKZ-UHFFFAOYSA-N 285.778 4.545 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C)cc1Cl 233548556 GIKFQACWRVQYER-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C[C@H]1CCc2ccccc2N1CCCCC(C)(C)C#N 235630842 SZWRMEDSKALRPE-HNNXBMFYSA-N 270.420 4.548 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(C)c1Br 235805060 LVCRNOATVNNPDA-AWEZNQCLSA-N 296.252 4.894 30 10 CJEE O=C(Cc1ccc(F)cc1Cl)C1=CCCCCCC1 236255206 BMSJAAUCLFKAHE-UHFFFAOYSA-N 280.770 4.871 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Cl)ccc1F 236537376 SFLAPZLBTZGOPF-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@H]1CCC 250815027 IWMDLQROJOZALH-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1CCC 250820926 LFLMYFRFMSVUDF-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)CC[C@H]1C 251198714 UUJWAQGMHNRBSB-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE CCSc1cccc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1C#N 252826438 UQPHLTYEOMIISF-IHRRRGAJSA-N 286.444 4.518 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@H](CC(C)C)C2)C1 300329209 RXYVVQKFWSICHO-BDXSIMOUSA-N 277.452 4.674 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2C[C@H](C)c3ccccc32)c1 308158832 VWUJSCAKHKVBFO-UGSOOPFHSA-N 262.356 4.527 30 10 CJEE C=C([C@H](NCCC)c1c(F)cccc1Cl)C(F)(F)F 311543661 UMAWCZVGDJNPLU-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc3c(c2)CCC3)C1 316640074 ATJJKTFNMDGRDY-DNVCBOLYSA-N 270.416 4.503 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1ccc(F)cc1Cl 320225006 UKJMCOXNAOFVDL-CWSCBRNRSA-N 253.748 4.768 30 10 CJEE CCCCCCCC[C@H](NN)c1csc(Cl)c1 378996716 SKGQRNSIEKLFSN-LBPRGKRZSA-N 274.861 4.657 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccccc1C(C)(C)C 379907615 MCIBQFZWWCHWTK-QGZVFWFLSA-N 271.448 4.684 30 10 CJEE CCCCCCCOc1cccc2c1[C@@H](NCC)CC2 383646111 GUEBPGIAIYBBSZ-INIZCTEOSA-N 275.436 4.633 30 10 CJEE N#C[C@@H](CNc1cccc2ccsc12)C1CCCC1 397298282 KWXRKVBNQVDBGM-AWEZNQCLSA-N 270.401 4.643 30 10 CJEE C=C[C@](C)(CNCC(C)C)CC(F)(F)c1ccccc1 400664851 FERLOVXASVPPQX-INIZCTEOSA-N 281.390 4.606 30 10 CJEE CCCCCCCCC[C@]1(C#N)C[C@@H](C)O[C@H]1C 686418002 KMXQQAHVRDFFNL-OWCLPIDISA-N 251.414 4.834 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@]12CCCC[C@H]1C2 686693618 PQNUGSUUCPTYAF-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@](C)(CNC(C)C)c1ccccc1 686702330 GHIBKHXXOZCYPK-LJQANCHMSA-N 271.448 4.526 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(C2CCC2)c1 690098362 ANZYEACXMWTHAD-WMZOPIPTSA-N 268.404 4.838 30 10 CJEE CCCC[C@H](CC)Nc1ccc(Br)c(C#N)c1 690182376 YPJTUSSWTXTJNW-LBPRGKRZSA-N 295.224 4.701 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccccc1C#N 691044678 MZGKTBQMKZHZPO-DOTOQJQBSA-N 256.393 4.575 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H]2C[C@H]21 691771275 AEKUCPGVUQGPQU-TVFCKZIOSA-N 280.500 4.785 30 10 CJEE CC1(C)CCC(C#N)(CCOCC2CCCC2)CC1 693047414 MLNXQYSXNIWXGB-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C(C)C)C3CCC3)C[C@@H](C1)C2 697271130 UTCWXEJOULCKMW-HLVPYZJISA-N 261.453 4.536 30 10 CJEE CCCc1ccccc1Oc1nc(C)c(C#N)cc1Cl 699508225 WKWCOFWVCRPZQX-UHFFFAOYSA-N 286.762 4.660 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(CC)c3)C[C@@H](C1)C2 700406987 FWBDMDRMRIZGHW-BYICEURKSA-N 255.405 4.796 30 10 CJEE CCCCCCCCCOc1c(CO)ccc(F)c1F 700669256 JWAQAVXXXJEACF-UHFFFAOYSA-N 286.362 4.587 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(C(F)F)c1 701247928 HWXPPEDCYGGXSF-UHFFFAOYSA-N 250.288 4.697 30 10 CJEE CCCCCCCNCc1c(O)ccc2ccccc12 705841572 UIXWDEHNVSXYCB-UHFFFAOYSA-N 271.404 4.605 30 10 CJEE CCCCCCCCCC[C@](C)(N)C[C@@H]1CCOC1 707622739 TXDAMHTVSBHVBS-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE N#Cc1cc(C(F)(F)F)c(Cl)c(Cl)c1Cl 709756250 NWSCYMMFOVIOMO-UHFFFAOYSA-N 274.456 4.537 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 710592604 BITVDNDAMNFHGW-OBYDGYHJSA-N 281.871 4.570 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1c(F)ccc(C)c1F 715813249 KAJTXJTZYMWYND-MLGOLLRUSA-N 267.363 4.526 30 10 CJEE C=C(CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 723610502 IHGOAFREQAKKGW-GBESFXJTSA-N 269.432 4.648 30 10 CJEE C=C1CCC(CN[C@H](CC)c2cccc(C)c2)CC1 724446804 LMFAYJMDBCRTBB-GOSISDBHSA-N 257.421 4.782 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](CC)CCCC 1128304733 HRHOKCFSNRERIE-OAHLLOKOSA-N 273.420 4.960 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](CC)[C@@H]1CC1(C)C 1182443351 IXAWRIAOGLHGIA-JYJNAYRXSA-N 251.458 4.926 30 10 CJEE C=CCCCN[C@H](CCc1ccccc1)Cc1ccccc1 1205639934 PXKNKUWYASOEKF-OAQYLSRUSA-N 293.454 4.786 30 10 CJEE C#Cc1ccc(NCCc2ccc(C(C)(C)C)cc2)cc1 1207753397 ZELLSKDTZQIKDP-UHFFFAOYSA-N 277.411 4.620 30 10 CJEE C=Cc1ccc(C(=O)Nc2cccc(C(=C)C)c2)cc1 1289567010 LETOKEVZCHZAEP-UHFFFAOYSA-N 263.340 4.615 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OCC2CC2)cc1 1308462502 PSXYGBSAUWBDOH-UYAOXDASSA-N 299.458 4.700 30 10 CJEE C=CCN(C[C@H]1CCC[C@H](CC)C1)c1ccccc1 1308696360 LQMSOUGRHMVVBA-IRXDYDNUSA-N 257.421 4.895 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@@H]1CCCC1(C)C 1308875175 ZDSFJHXMTFPFLQ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCC1(C(=O)NCCCCCc2ccccc2)CCCC1 1358134786 PDVLAHMNHLUMCX-UHFFFAOYSA-N 299.458 4.652 30 10 CJEE C=CC[C@@H](CC)N[C@@H](CC)Cc1ccc(Cl)cc1 1462162486 KSOAVIYGYMNJHV-CVEARBPZSA-N 265.828 4.605 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(C)c2ccccc12 1463205912 NQJVYVJMPZEHCH-INIZCTEOSA-N 293.410 4.719 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC(C)(C)C[C@H]1C 1470384197 GUSJWFZTJRQQMU-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE C#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 1474292756 FRBIGYCUWJTTMX-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cc1C 1514618338 MSUIKKILBWDBSO-UHFFFAOYSA-N 279.383 4.813 30 10 CJEE C=C(C)c1cccc(NC(=O)NCCC[C@@H]2C=CCC2)c1 1563363846 FHXAIIKUJFUNOZ-OAHLLOKOSA-N 284.403 4.588 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CC)CC1CCCCC1 1583715038 HLSWSBMFIIHSMS-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccc([C@H](C)CC)cc1 1586954639 SIEGINBXLOAGOV-CQSZACIVSA-N 273.420 4.532 30 10 CJEE Fc1cc(Cl)ccc1C#Cc1ccc(Cl)cc1 1614825140 ONWZATLPIFWQNM-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CCCCCCOc1ccc(C)c2c1C(=O)C[C@@H]2C 1643618465 CXKGILMYYGISQZ-AWEZNQCLSA-N 272.388 4.810 30 10 CJEE C=CCCCCCN1CC[C@@H](c2c(F)cccc2F)C1 1655548929 TWKNZPCLJOHLSL-CQSZACIVSA-N 279.374 4.501 30 10 CJEE C=CC(C)(C)CCNCc1cc2cc(C)c(C)cc2o1 1656696808 SNYCSNARONIQCN-UHFFFAOYSA-N 271.404 4.742 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(CC)(CC)C(F)(F)F)C1 1658460229 RAUICXWASYINCP-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(CCC)c1 1658542084 VXSNORCNIHMTTM-UHFFFAOYSA-N 259.437 4.721 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cccc(Cl)c1C 1658931366 GEIZYPQIBXQTLY-UHFFFAOYSA-N 285.818 4.837 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(OC(F)F)cc2F)C1 1659594133 ATEWCERWCOKHNX-QWRGUYRKSA-N 285.309 4.584 30 10 CJEE C=CCC[C@@H](CC)N[C@H](CC)c1cc(F)ccc1OC 1660737950 KASBYPUEGWTQAQ-GDBMZVCRSA-N 279.399 4.620 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2c3ccccc3CC[C@H]2C)C1 1664013325 XDHYZNYLNZUYMX-RRIFGTCXSA-N 269.432 4.644 30 10 CJEE C#C[C@H](N[C@@H](C)CCCCC)c1ccc(Cl)cc1F 1664685947 IRHKVXPQAKANHN-LRDDRELGSA-N 281.802 4.712 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]2(C)CCCOC2)CC1 1878001453 OKMLSCQXUAHQGI-SJORKVTESA-N 263.425 4.693 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H]1CC[C@H](C)[C@@H](C)C1 1883385226 KXGVPSLNJRDKBP-JENIJYKNSA-N 271.448 4.889 30 10 CJEE C=C1CCC(C[C@](O)(CC)c2cccc(C)c2)CC1 1886357315 BDAPTLJWCRIYDG-GOSISDBHSA-N 258.405 4.729 30 10 CJEE C=C1CCC(C[C@](C)(O)c2ccc(SC)cc2)CC1 1886403112 LQPXCMKBERQCIF-KRWDZBQOSA-N 276.445 4.753 30 10 CJEE C=CCN(CC[C@H]1CC[C@H]1C1CC1)Cc1ccccc1 1891518112 XGGFVLOONQBZNT-MOPGFXCFSA-N 269.432 4.501 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccccc1CCC 1892545109 YHQXKYISFKFAPS-UHFFFAOYSA-N 279.427 4.827 30 10 CJEE C=C(Br)CCOC[C@@H]1C[C@H]1C1CCCCC1 1897615740 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4.576 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]2C[C@H]1C2(C)C 2227285069 TXUKYJGMMWISEK-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=C(c1ccccc1)[C@H](O)Cc1cccc(Cl)c1Cl 2227497318 DYFFEYUMVQZRKI-OAHLLOKOSA-N 293.193 4.610 30 10 CJEE C=C([C@@H](NCCC)[C@]1(C)CC=C(C)CC1)C(F)(F)F 2229037695 SJVYOAVKEFNBIX-ZIAGYGMSSA-N 275.358 4.610 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC[C@@H](C(C)(C)C)C2)c1 2229848729 GROWKJXMXCVCEM-NVXWUHKLSA-N 255.405 4.685 30 10 CJEE CCCCCCCCCCCOCC[C@H]1CCCN1 2231080160 RGFRUYAZWRNIBO-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CC=C(CC)C(=O)c1cc(Cl)ccc1OC(F)(F)F 2231123727 RWSOTDGVWXEVMT-UHFFFAOYSA-N 292.684 4.778 30 10 CJEE CCCCCCCC[C@](C)(OC(C)(C)CC)C(=O)O 2231902668 FUHXFJGIQLWNSN-INIZCTEOSA-N 272.429 4.786 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCCCC)NC 2231923251 KSUARQCHRWRGEC-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@H]1C(F)(F)F 2231946302 OGKFEZOXMSCGQT-MELADBBJSA-N 279.390 4.914 30 10 CJEE C=C([C@@H](NCC)c1ccc2occc2c1)[Si](C)(C)C 2232383099 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N#C[C@@H](CSCC1=CCCCC1)C1CCCCC1 2255120947 VVRNYYCCJFSAAJ-INIZCTEOSA-N 263.450 4.940 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@H]1CCCCCC1(F)F 2259192564 HQHMMCAFVHOHHZ-ZIAGYGMSSA-N 259.384 4.666 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccsc1C(F)(F)F 2259203770 GWDNIWRZHCASRZ-NSHDSACASA-N 278.339 4.937 30 10 CJEE CCCCCCCC1(C(=O)O)CC2(CC(C)C2)C1 2259509077 GCLNHKKZRMZSDV-UHFFFAOYSA-N 252.398 4.628 30 10 CJEE C=C[C@@H](C)CCNC1CCC(C(C)(C)CC)CC1 2260403103 YCOYCDVMZNXACA-QQFBHYJXSA-N 251.458 4.783 30 10 CJEE C#CCCCCC[C@@H](C[C@H]1CCCC12CC2)NCC 2266586481 DBUDKGDYZSYKGN-SJORKVTESA-N 261.453 4.519 30 10 CJEE CO[C@@H](CSc1ccc(Cl)cc1C#N)C1CCCC1 2268660691 QFYFBBQKDBNBEO-AWEZNQCLSA-N 295.835 4.509 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1ccc(F)c(Cl)c1 2268740214 BDBMYOVGQHPCHC-UHFFFAOYSA-N 278.754 4.658 30 10 CJEE C=CCCCSc1ccc([C@H](C)O)c(C(F)(F)F)c1 2271495767 PZOMSWPVGUIFKD-JTQLQIEISA-N 290.350 4.817 30 10 CJEE C=C(C)CCCC[C@H](N)C1C2CC3CC(C2)CC1C3 2271784931 IVLTYDWQGCYZON-NFSPANSCSA-N 261.453 4.523 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(OCCC)c1 2271785460 NKEPJLASIKVLPP-KRWDZBQOSA-N 261.409 4.612 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccccc1)NCCC 2271836420 GLARLVZTNPPYOZ-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C=CCCCCCCCCCC1(OCCCN)CC1 2276020941 YWRXYOCMXZVJDX-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@](C)(CCC(C)(F)F)OCCN 2276560564 GFVNRLZFIXXQAH-CQSZACIVSA-N 279.415 4.516 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@H](C)C(C)C 2277287849 PFYNFDMXMVXTTH-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@H]1CCCO1 2278179121 VIZMPHQXJXGTDA-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)COC(F)F 2278229154 KQHJCVXIIMFPHZ-KGLIPLIRSA-N 279.415 4.733 30 10 CJEE Cc1cc(N[C@@H]2CCC3(CCCC3)C2)cc(C)c1C#N 2280577073 NBNMIFRXAKOXBM-OAHLLOKOSA-N 268.404 4.700 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1CCCC12CC2)NCC 2281325127 LCYPFEGKFYRMHM-ZWKOTPCHSA-N 269.432 4.648 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(Cl)ccc1OC 2283299377 MBMNKUZOMAULHE-CYBMUJFWSA-N 295.854 4.992 30 10 CJEE 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CCCCCCCC[C@](C)(CN)N(C)[C@H]1CCC[C@H]1C 2240561625 YVLVLINKPQUFOV-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](COC(F)F)C(C)C 2240642233 KFWCBAXHFSQKED-CABCVRRESA-N 293.442 4.979 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(CC)CCOCC1 2240667006 RUEIUAREBRQHLF-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CC1(CC#Cc2cccc(Br)c2)CCC1 2246281415 NGMBOIHNPFTRIZ-UHFFFAOYSA-N 275.189 4.547 30 10 CJEE C=CCCCCCCCS[C@@H](C)CNC(C)C 2250019915 XFFCCLVQOOWZTQ-HNNXBMFYSA-N 257.487 4.633 30 10 CJEE CC1(C)CC[C@@]1(C#N)C[C@H]1CC(F)(F)C12CCC2 2254981928 WNBKKALLYCPVHP-AAEUAGOBSA-N 253.336 4.532 30 10 CJEE C=CCCCCCCCSC[C@H](N)[C@H]1CC1(C)C 2259052134 UUZICNQOGOTYRE-CABCVRRESA-N 269.498 4.620 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc2cscc2s1 2261016453 BTZIFZBUQSYNJZ-ZDUSSCGKSA-N 276.426 4.580 30 10 CJEE CCCCCCCCC[C@H](C)[C@@H](C(=O)O)C(F)F 2263662023 QUQHWUHABUUTFQ-NWDGAFQWSA-N 264.356 4.729 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1F 2263710445 CRBCODLUTGNRAP-HRCADAONSA-N 257.437 4.996 30 10 CJEE C=C1CC(C[C@@H](C[C@H]2CCCCC23CC3)NCC)C1 2264851494 HUSUKYLVFAYSQK-SJORKVTESA-N 261.453 4.681 30 10 CJEE N#Cc1cc(F)ccc1SC[C@H]1CCCCC1(F)F 2267994840 PICZHZBCBUZRTQ-LLVKDONJSA-N 285.334 4.615 30 10 CJEE C=CCCCC[C@H](NCCC)c1csc(C)c1OC 2271659499 QZEMPXXZUCTWTO-HNNXBMFYSA-N 281.465 4.852 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H](CC)COC)NCCC 2271780248 BOMDJHQPHURMHZ-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C=C(C)CCCC[C@@H](CSc1ccc(F)cc1)NC 2271835857 YYHMQTNUDMNTKQ-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@]12CCCC[C@H]1CC2 2273312219 ABGKDIMIUAQKOX-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C[C@H](C)C(C)(C)C 2273978363 XEYJSEPHDCXWFE-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ccc(Cl)o1 2276599471 CNWWUGUJBRWORW-ZDUSSCGKSA-N 287.831 4.700 30 10 CJEE CCCCCCCC[C@@H](CCC=C(C)C)OCCN 2277337120 SSNAVXPYWWYMAY-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCc2ccc(F)cc2)C1 2277453073 AJSMIQWUACIWOT-PBHICJAKSA-N 262.368 4.544 30 10 CJEE 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30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CCC12CCC2 2284177114 GKKCSLNCIAUHTK-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CC(C)CCN(CC=CC#CC(C)(C)C)CCC(C)C 2284179423 HJFYCPBOYVPNRW-UHFFFAOYSA-N 277.496 4.986 30 10 CJEE Cc1cc(NCCCCC[C@@H]2C[C@@H]2C)cc(C)c1C#N 2284952248 CFZQTORXQJEVJY-XJKSGUPXSA-N 270.420 4.803 30 10 CJEE C#C[C@]1(N2CCCCCC2)CCCCC12CCCCC2 2285983476 HBJAQROXSKLHPE-IBGZPJMESA-N 273.464 4.759 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@H]1NCC 2287405532 FIJKDFPNUCATTA-GVDBMIGSSA-N 287.463 4.622 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1c(C)cccc1C 2289694241 UQBIZGUDHFDEPU-SFHVURJKSA-N 269.432 4.538 30 10 CJEE CCCN[C@@H]1C[C@@H](CC)C[C@@H](CC#CC2CCCC2)C1 2289874247 KYYLJVAWMHOVJY-QXAKKESOSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](CC1(C)CC1)OCC(=O)O 2291266647 SRICEDYLMOVIGH-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@](C)(OCC(=O)O)C1CCC1 2291810212 SQWFHBSYASXQBQ-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@H](OCC(=O)O)c1ccc(Cl)cc1C 2292421660 YHQWTGGGPNTYNA-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCCCCCC[C@]1(OCCN)C[C@H](C)CC[C@H]1C 2292806020 QNKCLTGTVJNSJJ-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)C1C[C@H](C)C[C@@H](C)C1 2292891847 LECPSOAZJSLLEQ-NUJGCVRESA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCCC(C)=C1C 2293689296 XEBGYMRCRGGHRI-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=C(CC)C[C@H](OCCCN)c1ccccc1C(C)C 2293839712 JXSWAFNQNKVHDM-SFHVURJKSA-N 275.436 4.573 30 10 CJEE C=C(CC)C[C@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2294186125 PFAFIHIIWLUUKV-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@](C)(CCC)C(=O)O 2295531550 MEMDCUVGDFOJPA-NVXWUHKLSA-N 285.472 4.749 30 10 CJEE CCCCCCCCCCCCN[C@@H](CN)[C@H](C)CC 2296245538 KENUHGSLEOINSC-MSOLQXFVSA-N 284.532 4.870 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2302213952 ZJLHILFVTSFZGK-SDBXPKJASA-N 276.182 4.605 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(F)c(C)cc1Cl 2321097144 YUVNIZZLJMZDJY-CABCVRRESA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC[C@@H](C)C1)NC 2321107620 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C=C1CCC(CNC[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338899513 OWCKHSCNYBWGRR-RYQLBKOJSA-N 261.453 4.539 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC(C)(C)[C@H]1C 2340644192 PEHHMPQKWVNJDZ-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCCCCCOC[C@H]1C[C@H](C)CCN1 2343575523 WXPCWETXICORIY-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)c(C)c1)NC 2344336197 HEAAASULGYOWHU-DLBZAZTESA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC(F)(F)c1ccccc1 2344462756 BELLTKRQIVENDL-HUUCEWRRSA-N 268.347 4.522 30 10 CJEE CCC(CC)N(CC(C)C)CC1(CS)CC(C)(C)C1 2345004193 HKAHOKINFXUZES-UHFFFAOYSA-N 285.541 4.869 30 10 CJEE C=C1CC([C@H](N)c2ccc(CCCCCC)cc2)C1 2353091254 MJALHEBBLBHNST-GOSISDBHSA-N 257.421 4.775 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1CC)NC 2358947850 JHGLZRKRCHGBNO-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](C[C@@]12CCC[C@@H]1CC2)NN 2359836583 QUKHAQGGLXMRIL-SQNIBIBYSA-N 280.500 4.929 30 10 CJEE C=CCC(CC=C)SCc1cc(C)cnc1NCCC 2360346340 ZNDGPKBFCFNJDU-UHFFFAOYSA-N 290.476 4.966 30 10 CJEE COc1cccc(N[C@]2(C#N)CCCC[C@H]2C(C)(C)C)c1 37937710 XEESIUFYSNBLEE-WMZOPIPTSA-N 286.419 4.606 30 10 CJEE Clc1cccc(Cl)c1/C=N/Cc1ccccc1 39618666 IIUFGOZQEGWUPN-LICLKQGHSA-N 264.155 4.613 30 10 CJEE CCc1ccccc1/N=C1/N[C@@]2(CCC[C@@H](C)C2)CS1 53099406 AEDQFTVEGLBVRW-CXAGYDPISA-N 288.460 4.522 30 10 CJEE CCCCCCCCCN(Cc1cccc(N)c1)C1CC1 59267412 ILULTUQEBVRTFQ-UHFFFAOYSA-N 288.479 4.984 30 10 CJEE COc1ccc([C@H]2CCCCC[C@@H]2C#N)cc1Cl 62661309 HBUVABXJIWYIBP-CHWSQXEVSA-N 263.768 4.536 30 10 CJEE C=CCc1cc(C(=O)CC)ccc1OCCCCCC 66118028 APMDLZRLCQGFOY-UHFFFAOYSA-N 274.404 4.967 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 70115221 LUZBTIMSOLIJAW-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE C=C(Cl)COc1ccc2ccccc2c1Br 70130735 XSOMHPAPQTWSSN-UHFFFAOYSA-N 297.579 4.734 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 71132234 MCKYFKNPGMFPAX-YPMHNXCESA-N 263.768 4.559 30 10 CJEE N#CCc1cc(-c2cc3ccccc3o2)oc1C(F)(F)F 77086571 VSHOTSVTIXVYQT-UHFFFAOYSA-N 291.228 4.778 30 10 CJEE CCc1cccc(CC)c1NC[C@@H](C#N)c1ccccc1 80785086 COKAPRZZWGJCQQ-GOSISDBHSA-N 278.399 4.531 30 10 CJEE N#CCC1(CNc2cc(Cl)c(Cl)cc2Cl)CC1 88249435 YPJXAUBDQHKVKO-UHFFFAOYSA-N 289.593 4.753 30 10 CJEE Clc1cccc(C#Cc2ccccc2Br)c1 90493994 FGPULAWQTKNFBM-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE CCC(CC)(CS)COc1ccccc1C(F)(F)F 94583251 GJCAKVUZWGGGPO-UHFFFAOYSA-N 292.366 4.820 30 10 CJEE CCCC(CS)(CCC)CO[C@@H](C)CC(C)C 94583785 ARRURACHYFPUBE-AWEZNQCLSA-N 260.487 4.954 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c(NC(C)=O)c1 103140877 OJBVJKQKZFUDNN-CYBMUJFWSA-N 294.414 4.945 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1Cl 104184800 BRIONZVRHVSZHI-JSGCOSHPSA-N 263.768 4.559 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(OCC)c(C)c1C 107642386 JQDWIZGTROUGCN-UONOGXRCSA-N 258.405 4.855 30 10 CJEE C[C@@H](CCNc1ccc(Cl)c(C#N)c1)c1ccccc1 109807080 YIVYPCLINUYAMF-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCO[C@@H](c1ccccc1F)[C@H](N)CC 109989058 RXVYJKNXEORXQZ-MSOLQXFVSA-N 295.442 4.981 30 10 CJEE 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4.808 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1CC(C)(C)C1)NC 2207455219 BJUSENYOYUMLHP-SJORKVTESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)C1CCC(CC)CC1 2207459086 VNHJWNXVSFMHLK-FOIPXRHGSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCCC1(C)CC1)NC 2207468454 ISHCZJUQRWSSTI-SJORKVTESA-N 283.500 4.656 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H]1C 2220088225 LEJAJRFTIFMGJW-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN[C@@H](C)Cc1ccsc1 2220094948 XVFRWQHOTYHOMQ-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NC 2220273912 JNQBKOYVKSGDGS-SMDDNHRTSA-N 286.246 4.726 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1CC[C@H]1C(F)(F)F 2224372100 XQLMRIUJLWKOTN-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE Cc1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 2224414284 OMUBZMQFPSJMOU-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCC[C@](C)(C=O)CCC1CC(OC(C)(C)C)C1 2224739714 NFCMINJQNFFWFW-DQPZFDDXSA-N 268.441 4.756 30 10 CJEE C=CC[C@H](CNC1CC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2225345435 RFULZCMWCMLYFH-YVSFHVDLSA-N 261.453 4.537 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)CCCCCCC1CC1 2225716331 TXIFXXHWDHFFSB-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE C=CCCCCCCCNCC[C@@H]1CCC[C@H]2C[C@H]12 2227268725 RYXCEHLWZQESSH-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE CSc1ccc(Oc2ccc(C#N)cc2F)cc1C 2227724072 WHZXFLRUKXBFAZ-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE C=C([C@@H](NCCC)c1sc(C)c(C)c1C)C(F)(F)F 2228570145 ZCGBJBIMAVBKFW-GFCCVEGCSA-N 291.382 4.833 30 10 CJEE C=CC[C@@H](C)Oc1c(C)sc(CN[C@@H](C)CC)c1C 2231435617 WVGAGNILFQJFKZ-NWDGAFQWSA-N 281.465 4.596 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(C2CC2)cc1 2231690169 OZLDWZFGSSXOSC-SFHVURJKSA-N 259.437 4.794 30 10 CJEE CCCCCCCC[C@](C)(C#N)N1CCCCCC1 2231852150 RKHPZMSMGLYYGC-QGZVFWFLSA-N 264.457 4.895 30 10 CJEE CCCCCCCC[C@@H](C)NCCC[C@@H]1CCOC1 2231928591 IAKDQVGGOWTAFJ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C[C@@H]1C[C@](C#N)(CCC2CC(OC(C)(C)C)C2)CCS1 2232948964 LUEYDPDGKPZKCI-VXTDNTOSSA-N 295.492 4.786 30 10 CJEE N#CC1(CC2C[C@@H]3CCC[C@H](C2)C3(F)F)CCSCC1 2233723363 ZFTXCHSZGXFUER-AGUYFDCRSA-N 299.430 4.875 30 10 CJEE CCCCCC1CCC([C@@H](C#CP(C)(C)=O)NC)CC1 2233798296 JUPKJUIAVKXWCR-OFLPRAFFSA-N 297.423 4.545 30 10 CJEE C=CCCCCOC[C@H](NCC)c1ccc(F)cc1Cl 2234044819 VWHCNKLOOOTOSO-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCC[C@H](C)O1 2235166117 UOFFKARYLKCWRN-RDJZCZTQSA-N 284.440 4.930 30 10 CJEE CCN[C@@](C#N)(CSCCCCC1CC1)C[C@H](C)CC 2235469703 ITHXMRIZDJHCQO-WBVHZDCISA-N 296.524 4.608 30 10 CJEE C=CCCCCCCCC1(N)CCC(C)(OCC)CC1 2235531857 DTQROFWMJSFYBL-UHFFFAOYSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC(=O)C[C@@H]1CC2(CCC2)CO1 2235540525 YBEZFKUJZDHRCK-QGZVFWFLSA-N 278.436 4.822 30 10 CJEE CN(C[C@H](C#N)C(C)(C)C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238153325 ACPCQAWRHISXOU-PMPSAXMXSA-N 278.484 4.709 30 10 CJEE CCN[C@@](C)(C#N)CCSCCCCCCCC1CC1 2239366420 XVIKDYNCPBHGPB-QGZVFWFLSA-N 296.524 4.752 30 10 CJEE CCCCCCCCCCOCC(F)(F)CNC(C)C 2239511192 SJRDLTJLSBVWTO-UHFFFAOYSA-N 293.442 4.777 30 10 CJEE C#Cc1ccccc1CN[C@@H](C)CCCCCCCC 2240637933 OEEJSHBPMIHIDZ-KRWDZBQOSA-N 271.448 4.897 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCCC)C1CCC1 2240639043 APWULGDEYYIXKK-ROUUACIJSA-N 283.500 4.656 30 10 CJEE C=C1CC(C[C@H](NCCC)c2ccc3occc3c2)C1 2241186484 YIFLOKRREIRNDL-KRWDZBQOSA-N 269.388 4.830 30 10 CJEE CCC[C@@H](CS)CSC[C@H]1CCCCC1(F)F 2248090085 BLHGCGYUQZIAKV-NWDGAFQWSA-N 282.465 4.891 30 10 CJEE CC1CC2(C1)CC(C#N)(c1cc(Cl)ccc1Cl)C2 2254138895 ZNYXQWKGRYVARB-UHFFFAOYSA-N 280.198 4.965 30 10 CJEE CCCCCCCCCC(=O)Cc1csnc1C 2254271971 QVZKCOBWWWGKEL-UHFFFAOYSA-N 267.438 4.704 30 10 CJEE C=CC[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2255405829 GJGVVQFBPAIBRT-ZDUSSCGKSA-N 288.218 4.619 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccsc1Cl 2256707184 WEEKWKDVRXIVHO-CYBMUJFWSA-N 281.852 4.658 30 10 CJEE CO[C@@H](CC(C)(C)C)CC1(C#N)CCCCCC1 2259127003 FAIFWSCOOWKNHE-AWEZNQCLSA-N 251.414 4.692 30 10 CJEE N[C@@H](C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2261019221 UQVGXERVODUHOH-HNNXBMFYSA-N 282.214 4.577 30 10 CJEE C=CCCC(C)(C)Nc1ccc2cccc(C)c2n1 2264876391 FYUJZGPNLUOIOA-UHFFFAOYSA-N 254.377 4.700 30 10 CJEE C=C1CCC(C[C@H](O)C[C@@H]2CCCCC23CC3)CC1 2264893763 CMLSMVXHSMHBSB-IRXDYDNUSA-N 262.437 4.844 30 10 CJEE O=C[C@]1(CC[C@@H]2CCCCC23CC3)CCC(F)(F)C1 2264934965 OCUYIWRNPARPQK-UONOGXRCSA-N 270.363 4.742 30 10 CJEE COC1(CS[C@H]2CCCCC[C@H]2C#N)CCCCC1 2265574115 HSSJOVCBWBRDNO-GJZGRUSLSA-N 281.465 4.541 30 10 CJEE C=CCC[C@H](C)[C@@H](C[C@@H]1CCCC12CC2)NCCC 2266595519 PBWWNHFMPVPQRL-YESZJQIVSA-N 263.469 4.927 30 10 CJEE CC[C@H]1CCC[C@H](C(=O)CC=CC#CC(C)(C)C)C1 2268741781 JXAOKEAPYXQKRN-HOTGVXAUSA-N 260.421 4.768 30 10 CJEE C=CCCCCCCCSCC[C@@H](C#N)NC(C)C 2271516008 PPCQNDWPDSFLGJ-INIZCTEOSA-N 282.497 4.526 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc2c(c1)CCC2 2271837866 YPMSMQBKZDUDOJ-SFHVURJKSA-N 257.421 4.572 30 10 CJEE C=C(C)CCCC[C@H]1CCCc2ccccc2[C@@H]1O 2271841733 OPMVMLWJWFOQPU-FUHWJXTLSA-N 258.405 4.809 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1ccc2ccccc2c1 2273026378 MTTOLIDVGWOWJR-CABCVRRESA-N 253.389 4.703 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@]12CCCC[C@H]1CC2)NCCC 2273431248 UQFMFGDYVHDXEW-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CCC1CCCC1 2273973055 YECGPCHTABQQLN-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C[C@](O)(C#CC1CCCCC1)c1c(Cl)cccc1Cl 2274072337 KBTPRVXUNMBKMK-INIZCTEOSA-N 297.225 4.785 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C)C(C)(C)CO1 2278127999 UOTWUDCRVCBGGX-DOTOQJQBSA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)CC(C)C 2278246320 POGTUFRBGLVDMZ-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE C=CCCCCCCCCCOC[C@]1(C)C=CCCN1 2279078302 BXUFJYQPPZGSIG-SFHVURJKSA-N 279.468 4.618 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C[C@H]1CC1(C)C 2284071891 YJIUDLDPFLKNSF-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(C)cc1Cl 2284114245 WWRHYZAZTAILBP-KRWDZBQOSA-N 289.850 4.905 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1scc2c1CCCC2 2284138051 WDUPOPQXAQNDPC-INIZCTEOSA-N 288.456 4.656 30 10 CJEE C[C@H]1C[C@H]1CCCCCN(CCC#N)c1ccccc1 2284970601 LDHJFNQRAJFGOY-DLBZAZTESA-N 270.420 4.623 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@@H]2O 2287177711 JXYJAOHDIPGAFJ-INIZCTEOSA-N 291.460 4.680 30 10 CJEE C=C(C)CCCCOc1ccc2c(c1)CCC(C)(C)O2 2287407948 CDLLRNGQBJMXBL-UHFFFAOYSA-N 274.404 4.915 30 10 CJEE C=C(C)CCCC[C@H](NC)C1CC2(C1)C(F)(F)C21CC1 2287408491 JFTHNHFAMXETLW-BBBYJDLNSA-N 283.406 4.536 30 10 CJEE C#CC1(NCC2CCC(C(C)(C)C)CC2)CC(C)(C)C1 2288212300 FDYPYMNITQVJML-UHFFFAOYSA-N 275.480 4.621 30 10 CJEE CCCCCCCCc1cc(C2(N)CC(C)(C)C2)on1 2288231984 MSTKOSQKQAJORF-UHFFFAOYSA-N 278.440 4.552 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cscc1C(F)F 2289689619 FQIYTZMPLFDIKK-HNNXBMFYSA-N 297.414 4.920 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)c1ccc(C)s1 2290860990 XBWKEQNOOOFWKU-CQSZACIVSA-N 298.448 4.949 30 10 CJEE CCCCCCC[C@@H](CC1(C)CCCC1)OCC(=O)O 2290905833 KYIBQDCGAPMTEO-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCCC[C@H]1C 2290915040 NXAXWDWWHJJWAI-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@](CCC)(OCC(=O)O)C1CC1 2292420002 XZGQBSORPZQIJQ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C1(CCC)CC1 2292647759 REHNVXXKEZLZDQ-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H]1C=CCCC1 2292652902 NLJQJNURAUFIGM-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=C1CCC(C[C@@](CC)(C[C@@H](C)CC)OCCN)CC1 2292912221 LPCWZTDMKZWXDS-MAUKXSAKSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@H](C)[C@@H]1C 2293409262 YZMLSUBVEMJQLO-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC(C)(C)C[C@H]1C 2293666646 IFJBSTVVJFXRFE-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H]1[C@H]2CCCC[C@H]21 2294361225 IUQLCULMYQWNJF-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1CCC(C)(C)C1 2294376758 WEYJAQHFPLXSJP-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1ccc(Cl)c(F)c1 2294418628 CXVJYJWGVLLBFN-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@@]1(C)C[C@H]1C 2294464796 RUWVAPSZUAOAQE-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](NCc2ccsc2C#N)CC1 2294727194 NCSXXNKTDPUBFM-GJZGRUSLSA-N 290.476 4.704 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1sc(C(F)(F)F)cc1C 2295011757 QUJBOGDGIHVQLN-CYBMUJFWSA-N 298.329 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)N1C[C@@H](C)NCC1(C)C 2295516307 WPWYYTLAEDINFS-IAGOWNOFSA-N 282.516 4.588 30 10 CJEE C=C1CC(CC(=O)[C@](C)(O)CCCCCCCCC)C1 2295597208 SDJHYDYRLDXEIT-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CC[C@@H](CC)NCCCCCCCCCCC(=O)O 2296305439 UBMVBFFCSMICHL-MRXNPFEDSA-N 283.456 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C)cc1Cl 2304130161 WZYHWPGQTURYDH-CABCVRRESA-N 252.785 4.674 30 10 CJEE CC(C)(C)[C@H](CS)COC(CC1CC1)CC1CC1 2313522594 NPSBZKPQDZWXPC-AWEZNQCLSA-N 270.482 4.564 30 10 CJEE N#C[C@@]1(C[C@H]2CCC2(F)F)CCCCC12CCC2 2313722883 PJGREFUTSMLBBD-OCCSQVGLSA-N 253.336 4.676 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1cc(Cl)c(N)cc1Cl 2315462698 JDUCQZWLLQNVAH-NOZJJQNGSA-N 285.218 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C)(C)C(C)(F)F)NC 2321117014 MCGOPXKEMDTPRQ-TZMCWYRMSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(CSC)c1 2321139049 WOIORAKAWQKYBJ-HOTGVXAUSA-N 263.450 4.542 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C)c(Cl)cc1C 2321147286 GGGIYBVUBTWFBL-OAHLLOKOSA-N 265.828 4.820 30 10 CJEE CCCCCCCCC[C@H]1CNC[C@@H](C(F)F)C1 2328334948 OTGGYCKCCJGFSL-KGLIPLIRSA-N 261.400 4.618 30 10 CJEE CC(C)ON=C(c1ccc(-c2ccccc2)cc1)C1CC1 2330316681 YOJQRDKHDCFXLJ-UHFFFAOYSA-N 279.383 4.893 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1 2331317799 RPNJQKLKNABMOJ-QKPAOTATSA-N 260.421 4.764 30 10 CJEE C=CCC(CC=C)Sc1ncc([C@@H](C)NCCC)s1 2335239767 XAKMXEARGIUNSC-GFCCVEGCSA-N 296.505 4.817 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1csc(C(F)(F)F)c1 2337101647 LIPITURYJIBTLB-VXGBXAGGSA-N 289.366 4.601 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)cc1C 2337108717 IONNXUIDCAOBBV-JFIYKMOQSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(C2CCC2)cc1 2338702406 MMLVPGKNMBDMON-GOSISDBHSA-N 256.389 4.756 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C(F)(F)CC1CC1 2338745117 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C=CCC(CC=C)Nc1nc(C)nc2sc(C)c(C)c12 2360202634 UKKPZRZJRXZJLA-UHFFFAOYSA-N 287.432 4.549 30 10 CJEE N#Cc1ccc(-c2cc(Cl)ccc2Cl)nc1Cl 11757314 MNLWPMRKLNDYNO-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#Cc1ccc(Nc2ccccc2SC(F)F)c(F)c1 36886484 KDPGKBZDZASFSZ-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCCCCC2)C1 37146719 HWUQLYVHHKNDLN-OKZBNKHCSA-N 290.495 4.997 30 10 CJEE N#C[C@H]1CCC[C@H]1Sc1cc(Cl)ccc1Cl 37154549 FCJYVCWFEWFWQF-LDYMZIIASA-N 272.200 4.778 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc3c(c2)CCC3)C1 37156446 QSQAQOMUZZEXDI-MZMPZRCHSA-N 285.456 4.986 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccccc2)c(C)c1 57684642 BXNXALLCRDAVAV-SFHVURJKSA-N 279.383 4.688 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1ccc(F)cc1 57735255 LSPGWFYWSZNHBH-MRXNPFEDSA-N 297.373 4.808 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Cc2cccc(F)c2)c(C)c1 57750446 UIVWBXGBQRWANF-MRXNPFEDSA-N 267.347 4.601 30 10 CJEE CCCCCCCCSc1ccc(N)cc1F 59192862 YETSXZJFJVALHO-UHFFFAOYSA-N 255.402 4.861 30 10 CJEE 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CCCCCCC[C@@H](CN)c1cccc(Cl)c1 118855777 ZFXWNXWMASWOOK-AWEZNQCLSA-N 253.817 4.743 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1cccnc1 123202574 CCPKAINKKXYRKN-SFHVURJKSA-N 276.468 4.872 30 10 CJEE CC#CCC[C@@H](CCCCCCCCC)NCC 124784851 QBBPQWXYRUNIJA-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1CCCN(CC)C1 129249562 VATBUQFIONZPRD-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CCCCCCCCC[C@H](NN)C1(OC)CCC(C)CC1 131034152 PJVAWZRYOHEVBW-ADKAHSJRSA-N 298.515 4.554 30 10 CJEE C=C(CN[C@@H](C)c1ccc(Cl)s1)c1ccccc1 134360738 MVGJVDXJMFOGQA-LBPRGKRZSA-N 277.820 4.766 30 10 CJEE C=C(Cl)COc1ccc(Br)cc1C(C)C 136457873 UVDRBFXHCYQMOG-UHFFFAOYSA-N 289.600 4.704 30 10 CJEE CCCCCCCCCCNc1nc(C)ccc1N 162536609 DZFNLZXMQWRHQQ-UHFFFAOYSA-N 263.429 4.525 30 10 CJEE C[C@H]1C[C@@H](OCc2ccc(C#N)cc2Cl)CC[C@H]1C 162992839 QXKVFOHMKYRQLO-XUJVJEKNSA-N 277.795 4.553 30 10 CJEE CSc1cccc(N[C@H](C)CCCC(C)C)c1C#N 167577645 BDWXCPKABXILOQ-CYBMUJFWSA-N 276.449 4.907 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](C)CC2)C1 216819273 NMOYCQUYBLLMNM-BRSBDYLESA-N 290.495 4.853 30 10 CJEE CC(C)c1ccc([C@H](O)[C@]2(C#N)CCC[C@@H](C)C2)cc1 218350566 ZOWJNTBLXDESOH-FHLIZLRMSA-N 271.404 4.563 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(C3CC3)c2)C1 227622535 FHSNPQHFSQCELR-MDASCCDHSA-N 283.415 4.708 30 10 CJEE N#CC1(Cc2cccc(Cl)c2F)CCCCCC1 228392851 JEBCSBQPGOLHAK-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE CCC1CCC(C#N)(Cc2nc3ccccc3s2)CC1 228475190 NMWPAYVMSCVIIO-UHFFFAOYSA-N 284.428 4.949 30 10 CJEE C=CCC[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1 228820024 NRCQSVAQGMTOAP-WFASDCNBSA-N 251.801 4.735 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1cccs1)C1CCCC1 228823285 UUBDGALYYZHZIS-XJKSGUPXSA-N 263.450 4.924 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](N)c2cc(C)ccc2O1 229108059 JSGXIDZSBPLCTH-AEFFLSMTSA-N 275.436 4.897 30 10 CJEE N#Cc1ccc2c(Cl)ccc(Oc3ccccc3)c2n1 230093129 YBRPRHFESQCAIM-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCC[C@@H](CCC(C)(C)OC)NC 231015357 ISEVGUVDUXKESL-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCC[C@@H]1CO 231308215 VMFJWXRXDKOVRT-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCNCC1(C)CCOCC1 232942934 OTTFGKCNCXZDEB-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@H]1CNC1CC1 232961348 XVBSVBVOERXGTH-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](OC)C1CCCCC1 233541366 JVHXVSNUYCDUEP-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE C[C@@H]1CCC[C@@H](CCNCCCCC(C)(C)C#N)C1 235251652 KXDCJRONJGETMR-CVEARBPZSA-N 264.457 4.512 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CO[C@H](C)C1 253014189 UNVMINCVGCQXRV-KURKYZTESA-N 298.515 4.554 30 10 CJEE CCCCCCCCOc1cccc(C(C)=NO)c1 253624111 BMSAWQWSLQJLJK-UHFFFAOYSA-N 263.381 4.624 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1CC1(C#N)CCC1 259130359 MLMVCAVTFULJQE-UHFFFAOYSA-N 255.405 4.837 30 10 CJEE C[C@H](CC#N)c1cn(C2CCCC2)c2ccccc12 259977710 JBDZQAHEFWUBSZ-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CC(C)(C#N)Cc1cc2cc(Br)ccc2s1 260391319 QFCZKYAFMICCFP-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H](C)C(C)(C)C 300517740 JCMYWAXKYBGIKU-SJORKVTESA-N 284.532 4.821 30 10 CJEE CCCCCCCCCCCCNC(C)(C)CN(C)C 308637593 RBWHYQYSRWJTDF-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE CC(C)CC[C@](C#N)(Nc1cccc(Cl)c1)C1CC1 311431725 GFQZMLKXSSOUBK-MRXNPFEDSA-N 276.811 4.860 30 10 CJEE C=CCCCCCCNc1ccc([N+](=O)[O-])c2cnccc12 319995645 HFXGVENKNOBOSM-UHFFFAOYSA-N 299.374 4.691 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](N)CC1 378670301 JMMKLZLMKBUQFU-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C=CCCCCCCn1ccc2c1CC(C)(C)C[C@H]2N 380176289 AEVDLHMVRMLIEX-MRXNPFEDSA-N 274.452 4.597 30 10 CJEE CCCCCCCCCCCCNC[C@@](C)(O)C(C)C 383298164 PIZAUCGEWYPIEP-GOSISDBHSA-N 285.516 4.904 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)CC(C)(C)C)C1 384509433 GOCXYGNUXWEGDJ-QBPKDAKJSA-N 278.484 4.851 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@@H]1CCCCC1(C)C 387541655 PEDQZDZNRRWARN-IRXDYDNUSA-N 281.484 4.554 30 10 CJEE Cc1ccc(Cl)c(NC[C@H](C#N)C2CCCCC2)c1 397162432 WTMQTFPZIOYFQO-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 398052250 DXVGLHFPFIQUKM-LLVKDONJSA-N 282.309 4.734 30 10 CJEE C=CCC[C@H](NCc1cccc(-c2ccccn2)c1)C1CC1 536829838 ABZGUTHCMWAUCH-IBGZPJMESA-N 292.426 4.583 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@H]21 613901729 SGMIUEZXFGKUBD-KBAYOESNSA-N 297.442 4.913 30 10 CJEE C#CCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 686676444 VHPHATQVUZCHKC-OAHLLOKOSA-N 285.214 4.785 30 10 CJEE C#CCCCCC[C@@H](N)CC12CC3CC(CC(C3)C1)C2 686696292 YPOYLIUTBGOHGW-GSBYPIHSSA-N 273.464 4.504 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1C[C@H]1C(C)(C)C 686698939 PPWAAVIZCCYMQB-BBWFWOEESA-N 263.469 4.621 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCCC[C@@H]2C(C)C)cc1 691091010 SYRBSZZYRVELLY-QZTJIDSGSA-N 270.420 4.906 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cc(C#N)cc(F)c1C 691114117 YBYXZRKDVNGRMD-HOCLYGCPSA-N 274.383 4.777 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@@H](C)[C@@H]3C)C[C@@H](C1)C2 697305572 ZHVVXCAMIJGWCA-GBGWRMMESA-N 261.453 4.536 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC2C[C@H]3C[C@@H]3C2)C1 698021178 HGILGNSNGZTAEZ-GJZGRUSLSA-N 262.437 4.844 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@H]1C1CC1 699030765 PERWKLCOIUCAGL-BBWFWOEESA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1C[C@H]1C1CC1 699082820 BSSCBGKHIBITIZ-BBWFWOEESA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1nc(C)c(C)[nH]1 699893825 ILCKKDYJLYCLHJ-MRXNPFEDSA-N 279.472 4.818 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cccc(C(F)(F)F)c1 701917747 AANNGDZQVJLXGW-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)C1CCCC1 708029177 ROWVSZYRXCFPOR-ZDUSSCGKSA-N 253.267 4.503 30 10 CJEE CCCCCCCCCC(=O)CC(C)(C)COC 712670704 MBKDNPSKSUTWEP-UHFFFAOYSA-N 256.430 4.759 30 10 CJEE CC1(C)CCC[C@@H]1/N=C1/NC2(CCCCCCC2)CS1 713203082 QGPULCGHIQFHNZ-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C1(CC(C)C)CCCC1 715753516 DFEJNTCHUIRGQY-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)C(=O)c1cc2cccc(Br)c2o1 715800152 RFUQEPOTWPJOKL-SECBINFHSA-N 293.160 4.590 30 10 CJEE CCCCCCCC[C@@]1(CNCC(C)C)C[C@@H](C)CO1 718447873 KSUZSZRVSZQMKV-MSOLQXFVSA-N 283.500 4.778 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CC[C@@H](C)C1 719609985 FBPSOXKGYFCSLI-SOLBZPMBSA-N 271.404 4.559 30 10 CJEE C=C(C)CN(CC)c1ccc(Cl)cc1CNC(C)(C)C 723186972 JMPUUVTXKMZSBZ-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(C)c2Cl)CC1 724548433 BAFULVYJFGQFEV-HNNXBMFYSA-N 263.812 4.785 30 10 CJEE C=C1CCC(CC(=O)c2ccc(OC(F)F)cc2)CC1 724609481 VYNSDPMJPGWCSG-UHFFFAOYSA-N 280.314 4.607 30 10 CJEE C1CCCC(C/N=C2/N[C@@H](C3CCCC3)CCS2)CC1 725114311 KUPYYMFENGETKS-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE CC(C)[C@@H]1CCC[C@@]2(C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 725350052 HZEPURZZQCRYCW-KEYYUXOJSA-N 278.245 4.685 30 10 CJEE CC[C@@](C)(C#N)c1ccc(C(F)(F)F)cc1C(F)(F)F 725395483 UFACDADGANCPEM-NSHDSACASA-N 295.226 4.915 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)co1 890165894 PWBRDENJYDJWEU-UHFFFAOYSA-N 283.371 4.692 30 10 CJEE O=C1/C(=C\c2ccccc2)CCc2[nH]c3ccc(F)cc3c21 914557212 CHXVDIWCWCQKKU-RAXLEYEMSA-N 291.325 4.520 30 10 CJEE CCOc1ccccc1C=Nc1c(C)cc(C)cc1C 1084463590 QTNNMAMZPBFIPS-UHFFFAOYSA-N 267.372 4.761 30 10 CJEE CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)cc1 1084552225 FPDNHALMOHEUOT-UHFFFAOYSA-N 280.415 4.900 30 10 CJEE C=CCC[C@H](C(=O)N[C@H]1CC12CCCCC2)c1ccccc1 1127553615 QQMGBXYNYAULNN-ROUUACIJSA-N 297.442 4.575 30 10 CJEE C=CCC1(NC(=O)c2cccc(C3CCC3)c2)CCCC1 1131040610 LMIRWCFWXBAXRD-UHFFFAOYSA-N 283.415 4.573 30 10 CJEE C=CCC1(NCc2ccsc2Cl)CCCCC1 1175371993 QCIIODUSLQFGCU-UHFFFAOYSA-N 269.841 4.770 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 1179537152 FYMYUYNWQDIILO-YJBOKZPZSA-N 287.422 4.582 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(F)cc1F)C1CC1 1192615064 FRSDMCFVXIFTSQ-QGZVFWFLSA-N 279.374 4.752 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(Cl)c(OC)c2)C1 1205560983 GVYZVXCJUZHHSK-VXGBXAGGSA-N 265.784 4.505 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ccc(F)cc2Cl)C1 1205981087 WJZBBVXGJYLJOR-YRGRVCCFSA-N 281.802 4.875 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl 1206286542 LZLNGXIPFJVUDL-GDBMZVCRSA-N 263.812 4.532 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283.714 4.537 30 10 CJEE CCSc1cccc(N[C@@H](C)C2CCCC2)c1C#N 127060103 BQYAHBWXRIILGO-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](OC)C1CC1 129318571 VINALVRHSDNWPM-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cncc(F)c1 135560979 VSGPVAFSEDRMSF-MRXNPFEDSA-N 267.388 4.785 30 10 CJEE CCCCCCCCNc1ccc([N+](=O)[O-])c(F)c1 148906384 UBNYYNPRSGDMQK-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 156269974 JVRWPCIZARGKTH-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2ncccc2c1 164590350 RITORWYSEFXMFN-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)cc2F)CCCCCCC1 165704002 OIKUHVQZOATZPF-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCSc1cccc(NCc2cccc(C)c2)c1C#N 167575704 HZWCBUHPUFOTLK-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(C)c(C)s1 167670973 APSFAPWNQRPACI-CQSZACIVSA-N 251.439 4.762 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(Cl)ccc1C 167751432 TUAIRCSRMSGEDS-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE 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C=C[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl 235528867 PCUIAKFCVMQHRV-LURJTMIESA-N 250.556 4.633 30 10 CJEE CCCCCCCCN1C[C@@H](CC(C)C)NC[C@H]1C(C)C 250796135 AWZNCLGDYPPQNU-MOPGFXCFSA-N 296.543 4.691 30 10 CJEE N#C[C@]1(CCC2CCCC2)CCCc2ccccc21 311332774 IQCCGRRVRWYXKB-GOSISDBHSA-N 253.389 4.755 30 10 CJEE O=C[C@@H]1CCCC2(CCCCCCCCCCC2)O1 311475394 ZLPRVQMVVHWCCM-INIZCTEOSA-N 266.425 4.798 30 10 CJEE CCC(=NO)c1ccc(OCc2sccc2Cl)cc1 311853690 PHRKXOIAEJYTLT-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2c(Cl)cccc2[N+](=O)[O-])C1 312226494 CJNAXCJORGIVKY-XHDPSFHLSA-N 292.766 4.610 30 10 CJEE CCC[C@@](C#N)(Nc1cccc(C)c1)C1CCCC1 313406650 FLIGRLYUMMUBNA-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)CCC[C@@H]1C 317969128 OLTWIHPNWDUIIQ-RDJZCZTQSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](CCC1CCCCC1)CNCC(C)C 386922598 DSUNFHOVAQBPLO-QGZVFWFLSA-N 251.458 4.785 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@H](CS)C(C)(C)C 387398432 KMKCZARPQZJIQO-NVXWUHKLSA-N 293.520 4.879 30 10 CJEE CCC(=NO)c1ccccc1OCc1cccc(Cl)c1 389322289 IJAXLPYZXGVVJC-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE C=CC[C@@H](CC)N[C@H](CC)c1cccc(Cl)c1 393756962 AGHYVHPWNNZKHD-HUUCEWRRSA-N 251.801 4.735 30 10 CJEE CCCCCCCCNC[C@H](C)CC(F)(F)F 397028712 WSRGGSBXFXWPNQ-GFCCVEGCSA-N 253.352 4.525 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@H](C#N)C2CCCC2)C1 397172503 BMNLNVQHGONHQN-VHDGCEQUSA-N 251.439 4.628 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc2cnsc12 402940323 MGYJBAPUODMQNL-HNNXBMFYSA-N 291.464 4.551 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2)cn1 404289523 ZRFLCABEBJMXFS-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@](C)(C#N)c1ccccc1 405543808 MNWHNPOORLTOCS-TZMCWYRMSA-N 269.310 4.837 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 467814327 VWMFMQNAOJBLHA-MOPGFXCFSA-N 297.442 4.597 30 10 CJEE N#Cc1cc(F)cc(-c2cc(Cl)ccc2Cl)c1 514260982 IYWZWQJHMAJUGQ-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE COc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)F 575381718 YIHLIYCIWBSNNV-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE 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PUYPRTCPVHLJPL-ZDUSSCGKSA-N 293.838 4.722 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccc(Cl)cc2)CCCC1(C)C 1436083893 XYUPDCDLKOWRSF-OAHLLOKOSA-N 291.822 4.547 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc2c(c1)CCC2 1460625017 HVRLUDHGLCEZDM-UHFFFAOYSA-N 299.458 4.822 30 10 CJEE C=CC[C@@H](CC)NC/C=C\c1c(C)cc(C)cc1C 1461465452 TZTWDEAPZJGTED-SECOEOQKSA-N 257.421 4.569 30 10 CJEE C=C(CC)CN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1462337390 BYDYPKURZGWEBD-GOEBONIOSA-N 297.364 4.897 30 10 CJEE CC#CCCCC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1462952691 UTZIZGHDLXFJEG-CQSZACIVSA-N 283.415 4.604 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1464180827 LVEIXOLVCZMQGY-KRWDZBQOSA-N 287.447 4.882 30 10 CJEE C=CCC[C@H](Nc1nc(CCC)ns1)c1ccccc1 1472736627 UTDQEVOQPPIZOL-AWEZNQCLSA-N 287.432 4.610 30 10 CJEE C=CCCCSc1nc2cc(Br)ccc2o1 1473071954 SOOCKQODSJFMLX-UHFFFAOYSA-N 298.205 4.649 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1(CCC)CC1)c1ccccc1 1518585933 HCTXBHGBIRBASM-GOSISDBHSA-N 299.458 4.823 30 10 CJEE 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4.671 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc2c1ccn2C(F)F 1617270939 PBWFSHYOHHHBTO-MRXNPFEDSA-N 292.329 4.577 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(Cl)c(C)c1 1651815059 WPGRHWYSAGRRCE-UHFFFAOYSA-N 285.818 4.837 30 10 CJEE CCCCCCCCN1CC=C(C(F)(F)F)CC1 1653177074 NMIVKUOOEBHPFE-UHFFFAOYSA-N 263.347 4.541 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(CCC)c1 1662856968 GUGYTIQWHGOODX-RTBURBONSA-N 271.448 4.864 30 10 CJEE N#Cc1cc(Cl)cc(-c2ccc(OC(F)(F)F)cc2)c1 1848362111 DDQXICGDFNGSQD-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](CC)COC 1879031859 FJKDOZBHEGBWQW-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE C=CC1(C[C@H]2CCC(F)(F)CC[C@@H]2NCC)CCC1 1881850969 RQVAZBZLZSUZEZ-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE CCCCCCCCN(CCc1nccs1)C(C)C 1883330684 ZBQFDHXGZIOCMS-UHFFFAOYSA-N 282.497 4.757 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 1883420129 PLSHUIYOGMNYFB-DZFIZOCASA-N 271.448 4.747 30 10 CJEE CC#CCCCC[C@]1(CNCC(C)C)CC=CCC1 1885235811 HFRXTHSCGGZQBP-SFHVURJKSA-N 261.453 4.542 30 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C=CCCCCCCC[C@@]1(C(=O)O)C[C@H]2C=C[C@H]1C2 2227269404 ZOPAWDMEVZTTLA-YQQAZPJKSA-N 262.393 4.570 30 10 CJEE C=CCCCCCCCNc1cc(Cl)cnc1OC 2227273722 SDPPVLYATAAANP-UHFFFAOYSA-N 282.815 4.682 30 10 CJEE C=CCCCCCCC[C@@H](CC[C@@H](C)OC)NCC 2227275259 XAKLEUZGYFQRCL-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@H](NC)C1C[C@H]2CC[C@@H]2C1 2227284441 RFWBZZKECZRXQS-NUJGCVRESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1ccc(Cl)cn1 2227291938 WDFLNNKOHZKENM-MRXNPFEDSA-N 281.827 4.859 30 10 CJEE O=C(C=Cc1ccccc1)Cc1cccc(Cl)c1Cl 2227497334 FQVDPFYMIRHXJU-UHFFFAOYSA-N 291.177 4.818 30 10 CJEE CC1CC(CC(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)C1 2227503314 ULNRASJAFYLFRQ-CBINBANVSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1ccc(F)cc1 2227516641 DZCJCCCPEPXBBQ-IBGZPJMESA-N 283.412 4.758 30 10 CJEE CCCCCCCCCN[C@H]1CCCc2scnc21 2229761230 RBSHTLYLHUGRGL-AWEZNQCLSA-N 280.481 4.861 30 10 CJEE CC(C)(C)C#CCCNCCCCCCCC1CC1 2230946053 IJLSJXNZCOUOHS-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@@H](C)C1CCCCC1 2231485954 GKNVQNGFRHNCLJ-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1ccc(C2CCC2)cc1 2231683345 AJCBSANJCFOVRG-KDOFPFPSSA-N 257.421 4.817 30 10 CJEE C=CCC[C@H](CCCC(F)(F)C(F)(F)F)NCCC 2231736026 OFDTVAFTERMWCN-LLVKDONJSA-N 287.316 4.689 30 10 CJEE C=CC[C@H](C)O[C@](C)(CCCCCCCC)C(=O)O 2231904478 YXKDCRMIWKKYMS-GOEBONIOSA-N 270.413 4.562 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@]1(C)CCCOC1 2231904671 ZJCYMPJWYMFBQI-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCC(=O)N(CC#N)CC(C)C 2233131243 WWZINPJQKXTHKU-UHFFFAOYSA-N 280.456 4.525 30 10 CJEE C=C(C)C[C@@H](NCCC)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652590 MFUPCDSSVZHDBN-WTXIUTQJSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCOc1ncc(CO)cc1Cl 2234053421 JHZDPPIPBLGEQV-UHFFFAOYSA-N 297.826 4.523 30 10 CJEE CCCCCCCC(=O)[C@@]1(O)CCC[C@H](C(C)(C)C)C1 2238152961 ASNGMZRYHOODRZ-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE C=CCCCCOCC1(CN[C@@H](C)CC)CCCCC1 2239373787 GOZHJCORTGHMIC-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@H](C(F)F)C1 2239509791 HYIFGWOQWXXLDO-CABCVRRESA-N 291.426 4.529 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccccc1COC 2240622309 RSBICNBCIUIVBT-GOSISDBHSA-N 278.436 4.791 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C[C@@H]1CC=CCC1 2240667196 UBJHEHBVKKFFAW-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)C(C)(CC)CC 2240667706 YSSYNSCAGWQKEM-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCC[C@@H](CC)[C@@H](C#N)Nc1ccccc1Br 2250370080 XCUPTUCEZFBMHY-BXUZGUMPSA-N 295.224 4.579 30 10 CJEE C=CCCCS[C@H]1CC2(CCCCC2)CC[C@@H]1N 2258984608 BHZCQACAWBERAL-GJZGRUSLSA-N 267.482 4.516 30 10 CJEE C=CCCCCCCCSCC1CCC(O)CC1 2258995035 KPXNSGFCVDJYMG-UHFFFAOYSA-N 270.482 4.797 30 10 CJEE C=CC1(C[C@H](O)c2ccc(C(F)(F)F)s2)CCC1 2263446862 SGXBFHTXRAYOPC-VIFPVBQESA-N 276.323 4.547 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@H]1C(=O)OCC 2263713836 UJIYDQPMNASHPL-GDBMZVCRSA-N 254.414 4.716 30 10 CJEE C=C1CC(CC[C@H]2CCC[C@H](C)C2)(CNC(C)C)C1 2265047950 UNLQLXSNWSYDNP-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE C=C[C@@H](C)CC(=O)CCC12CC3CC(CC(C3)C1)C2 2265152981 DXYVDUCHZAUOIU-ZZFFKQLHSA-N 260.421 4.764 30 10 CJEE CC1CC(CS)(COc2ccccc2C(C)(C)C)C1 2265294375 DXLUFLUTYLOBDK-UHFFFAOYSA-N 278.461 4.709 30 10 CJEE CC(C)CCN(CC1(CS)CC(C)C1)C1CCCC1 2265310167 PHNWLTQPGXJWAK-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE COC1(CSc2cccc(Cl)c2C#N)CCCCC1 2265553189 RCIJQKZRIANYNF-UHFFFAOYSA-N 295.835 4.653 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OC 2268077872 HJMBJMAPJFGLTL-CHWSQXEVSA-N 281.827 4.744 30 10 CJEE CCC(CC)(CC)[C@H](CC=CC#CC(C)(C)C)NC 2268756031 ZVIHBECYWYGFOU-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(CC=CC#CC(C)(C)C)C1 2268785381 LHPCLBBSVLADBV-WMZOPIPTSA-N 262.437 4.560 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@](C)(N)CC(C)C 2269931941 RRINMWQWHZJZQM-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC(F)(F)C1 2270134448 YLDLYYMJUUWZRF-LOWVWBTDSA-N 277.305 4.777 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@]1(C)CN 2271280101 LUTMFNAZKGIKFN-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1C[C@H]2CC[C@H](C1)C2 2271836590 IOAJWJVBSVNEDU-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=CCCCCCCN(C)C1CCC2(CCS2)CC1 2272968731 MANASAIPEGNARX-UHFFFAOYSA-N 281.509 4.873 30 10 CJEE O=C[C@]1(C[C@]23CCCC[C@H]2CC3)CCCC12CCC2 2273421450 KHEGMSFSTWRRIF-LZLYRXPVSA-N 260.421 4.886 30 10 CJEE CC(C)CC1([C@@H](O)CC#CC2CCCC2)CCCC1 2274116167 OJWMMSOUJPGMRQ-KRWDZBQOSA-N 262.437 4.538 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C1=CCCC1 2276287416 VJXNCJKJSOVDKN-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@@](C)(CSC(C)(C)C)OCCN 2277234777 VSWVSJWOVYXNHS-INIZCTEOSA-N 289.529 4.613 30 10 CJEE CCCCCCC[C@@](C)(CCCC1CC1)OCCN 2277402967 WWOWJJRQBACXIM-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@@H](CNCC)O1 2278171525 NVTJIKBHSZNCDR-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc2scnc2c1 2278619672 UDQOEPOYOORWTL-MLGOLLRUSA-N 274.433 4.549 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC(C)(C)CCO2)CC1 2280344606 PYKCRNJHLNHCSH-PQUAAJSLSA-N 277.452 4.938 30 10 CJEE Cc1cc(NC[C@@H]2CCCC3(CC3)C2)cc(C)c1C#N 2280563475 NGZHJVXVBPGZTG-OAHLLOKOSA-N 268.404 4.557 30 10 CJEE Cc1nc(NCC(C)(C(C)C)C(C)C)c(Cl)cc1C#N 2283865269 AALLBVFBNFBMNI-UHFFFAOYSA-N 293.842 4.645 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cccc(C(F)F)c1 2284183431 RGTJLAYQNHZFIK-OAHLLOKOSA-N 278.342 4.653 30 10 CJEE CCCCCCCC[C@H](NC)c1cnc(C)n1C(F)F 2284864270 IOFHRLWQDBDPPC-ZDUSSCGKSA-N 287.398 4.598 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H](F)CC[C@@H]1NC 2287396015 WLGZSDUZZXVJSI-IXDOHACOSA-N 287.463 4.622 30 10 CJEE CC[C@H](C)[C@H]1CSC(=NCC[C@H](C)CCCC(C)C)N1 2287886012 QZLPYZLWTDPZIO-OWCLPIDISA-N 298.540 4.946 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1(C)CC2(CCC2)C1 2289691977 GEBKYPCXWVLTBH-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE CC(C)(C)C1CCC([C@H](N)C#CC2CCCCC2)CC1 2289700036 IKPDBMAHLXENNU-DAWZGUTISA-N 275.480 4.750 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(C)c(Cl)c1 2289700909 RFPGJJRVOBCJRZ-GOSISDBHSA-N 289.850 4.883 30 10 CJEE N[C@H](CC#CC1CCCC1)c1cc2ccc(F)cc2s1 2289851770 JGPFTRSHBHOXJV-OAHLLOKOSA-N 287.403 4.624 30 10 CJEE C=C([C@@H](CCCCCCCC)OCC(=O)O)C(C)(C)C 2291119854 NEGCCROTYWNLAM-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@](C)(OCC(=O)O)c1csc(C)c1 2291765359 DWSWREXHCJVSNQ-INIZCTEOSA-N 296.432 4.509 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C(C)(C)C 2292802668 VNMOKEHGBOUSKC-BBWFWOEESA-N 281.484 4.539 30 10 CJEE C=CCCCCC1(OCCN)CCCCCCCCC1 2293268477 JSVZNDXYZXFVBQ-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C1CC(C)(C)C1 2295681309 FZIPPSRITHKTOJ-WMZOPIPTSA-N 283.500 4.642 30 10 CJEE C=C1CC(C[C@H](N)c2ccc(Cl)c(Cl)c2C)C1 2301195879 UOJZCOVHFNBKGY-ZDUSSCGKSA-N 270.203 4.658 30 10 CJEE C=CCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2302209141 FIHXANVZFMUWGY-LBPRGKRZSA-N 277.166 4.912 30 10 CJEE C=CC[C@H](C)C(=O)C[C@@H]1CCCC[C@@H]1C(F)(F)F 2321145136 NEEINHVVDBJRDB-SRVKXCTJSA-N 262.315 4.527 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCC1(C(F)(F)F)CC1 2321553292 VARKKILTFHFCOJ-NEPJUHHUSA-N 262.315 4.505 30 10 CJEE CC(=NOCCCc1ccccc1)c1ccc(C)cc1C 2330459254 YCCQKJCCRQZURM-UHFFFAOYSA-N 281.399 4.677 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 2333364766 RHGYCVLYKPFBJQ-XSLAGTTESA-N 261.453 4.633 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C 2338732679 LASUCDMQVZFZDV-QGPMSJSTSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2C1 2338733790 VXSFTCZRBIKKLL-MHORFTMASA-N 261.453 4.559 30 10 CJEE C=CCCC[C@@H](Cc1ccc(F)c(C)c1Cl)NCC 2339321714 ZYGBOTUSDVQOEN-AWEZNQCLSA-N 283.818 4.664 30 10 CJEE C=CCCCCCCCN[C@H]1C[C@H]2C[C@H]1CC21CC1 2339461430 UKNTUVCSLWTNQB-BBWFWOEESA-N 261.453 4.681 30 10 CJEE N#CC1(CCCc2cc(Cl)cc(Cl)c2)CCOCC1 2341197731 SLQMTODUERASDP-UHFFFAOYSA-N 298.213 4.636 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2CCC(C)(C)C2)C1 2341666162 SWRUZHMKZYGWRJ-INIZCTEOSA-N 263.469 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CC[C@@H]1C1CC1 2342539555 DNPNGKBTFPKOHG-TVFCKZIOSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NC 2352803216 ZXMLRRKPALNQBX-RQJABVFESA-N 277.374 4.545 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1C[C@H]2CC[C@@H]1O2 2354997518 BFXUMEMZQRYGBA-XDNAFOTISA-N 282.468 4.836 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H]1CC[C@@H](CC)O1 2358323595 QXGNVKAHYLAJJC-KZNAEPCWSA-N 281.484 4.839 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1[C@@H]2CCCO[C@@H]21 2360180192 UFZCDLFHKWZZAS-XDNAFOTISA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)N[C@@H]1c2ccccc2CCC1(C)C 2360210156 NDTLQGSZZIIBPA-GOSISDBHSA-N 269.432 4.811 30 10 CJEE Cc1ccccc1[C@@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@H]21 14478545 GTYWVCPADWQSBI-QKLQHJQFSA-N 286.378 4.693 30 10 CJEE CC[C@H](CC#N)Nc1c(Cl)cc(Cl)cc1Cl 36680765 HCXCYBQHTRILEY-MRVPVSSYSA-N 277.582 4.751 30 10 CJEE N#Cc1ccc(NCc2cc(-c3cccs3)cs2)cc1 37212173 PCISAHLQAPNZBY-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE N#C[C@H](C(=O)CC1CCCC1)c1c(Cl)cccc1Cl 38137815 JOXBNMMEAGMEAQ-LLVKDONJSA-N 296.197 4.750 30 10 CJEE Cc1ccccc1/C=N\Nc1nc(-c2ccccc2)cs1 38425186 AIQYSMSXUIMEBR-WQRHYEAKSA-N 293.395 4.565 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(Cl)c1 54823711 FDSJTMAMSFTGJY-QMTHXVAHSA-N 283.202 4.878 30 10 CJEE CCCC(=O)c1ccc(SCc2cccc(C#N)c2)cc1 58015799 ZDPJMPVRBCHAKV-UHFFFAOYSA-N 295.407 4.833 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(OC)ccc1OC 59290702 DJBVPJFBMXSYEB-QGZVFWFLSA-N 293.451 4.715 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]1C[C@H](C)CC[C@@H]1C#N 62014199 ZYOHZYVDPPVYFP-IARIHHJXSA-N 290.838 4.661 30 10 CJEE C=C(C)COc1cccc(CN[C@H](CC)c2ccccc2)c1 66117010 IEKIWYARJNHBHT-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86959590 TZJOSRVJHSXSBC-CRAIPNDOSA-N 270.420 4.987 30 10 CJEE C[C@H](CCS)CCSc1cccc(Cl)c1 87097829 UWDCXCHXMRSUMZ-SNVBAGLBSA-N 260.855 4.778 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCCOc2ccccc2)C1 87972398 CFGZSZCSYOFWBK-FUHWJXTLSA-N 271.404 4.956 30 10 CJEE CCC[C@@H](CS)CN(C)[C@@H](C)c1cccc(Cl)c1 94579549 JTPPQVYMIBTUNG-QWHCGFSZSA-N 285.884 4.679 30 10 CJEE CCC(CC)(CS)COc1ccc(C)cc1Cl 94585142 LOUCCAJTYHPSOE-UHFFFAOYSA-N 272.841 4.763 30 10 CJEE CC(C)(C)C1CC(C#N)(Sc2ccccc2F)C1 97264992 BNBMXLPAGRETAM-UHFFFAOYSA-N 263.381 4.636 30 10 CJEE CC(C)N(CCCCCCCCCS)CC1CC1 97799434 CIZTWPZGUGUYGF-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C/C=C/C(=O)O 102455167 YQIDBBQAWLMULK-QYXZZHEHSA-N 276.420 4.816 30 10 CJEE biogenic CCCCCCCCOC1(CNCCC)CCCC1 110070318 GUYQTFCESVOQGD-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(C(C)C)c2)c1 110253826 DDTZEFZQHIPRKT-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc3ccccc23)c1 110261070 LQSIUKBQFGAMFM-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE N#Cc1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1 111729269 YYJGQHVHAVUXKY-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1Nc1cccc(Cl)c1C#N 112953051 KVNBEUACFDQIIZ-CXMBCZLWSA-N 288.822 4.838 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1nccs1 112977757 IFJKNEJDALRJGG-STQMWFEESA-N 254.443 4.543 30 10 CJEE CCCCCCCCCN1C[C@@H]([C@@H](C)CC)NCC1(C)C 115238729 OMDAIEGDXVKEQJ-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C)c1ccc(N)cc1 115854548 KFIJWTWAOAQDFX-OAHLLOKOSA-N 290.451 4.587 30 10 CJEE CCCCCCC[C@H](CSc1ccccc1F)NC 117373837 ZJPPIPZVVVRZCB-CQSZACIVSA-N 283.456 4.866 30 10 CJEE C=C(CC)COc1ccc([C@H](C)NCCC)cc1Cl 132539037 KBEMADQDWWLICF-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE C=C(CNc1cc(Cl)ccc1C)c1ccccc1 134355270 UYGIAALHJKQGIP-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(F)c1)c1cccs1 135245120 BWNQFMBAVKSMAO-AWEZNQCLSA-N 274.364 4.712 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1cncs1 157505466 DPQDULSTOJKCAV-OAHLLOKOSA-N 283.481 4.967 30 10 CJEE CCCCCCCCC[C@H](N)CCC(F)(F)F 158217978 VSDGBJGCVFUJSR-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE CCCCCCCCCC(=O)C(CC)(CC)OC 160705543 AFPSHXVALUWJKI-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE C=C(C)CCOc1c(C)cc(CNC(C)(C)C)cc1C 164381417 GLBVZFPEBBEUAE-UHFFFAOYSA-N 275.436 4.537 30 10 CJEE CCCCCCCOc1cc(Br)ccc1F 165009407 VFBDDXQZYSRWNM-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165993375 LEFGEJFQOWMAOR-UXIGCNINSA-N 279.836 4.902 30 10 CJEE C[C@H](CCS)CCOc1ccc(F)c(C(F)(F)F)c1 226464801 WIOKOXYWIRBDNQ-VIFPVBQESA-N 296.329 4.569 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc(Cl)c1F 228312313 LNQRAAZNKLBWLK-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE C=CCCCCCOc1ccc(C(C)=O)cc1Cl 232566923 ZQFPYKHKWDWIFI-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1ccccc1F 232982303 PMEWAJSPSQSWDP-OAHLLOKOSA-N 280.431 4.706 30 10 CJEE C=CCCCCC[C@H](CCc1ccccc1)NCC 233601877 BDXRKVTVDCPCFQ-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 235276816 QFFNYRLVMFOJGD-OAGGEKHMSA-N 252.442 4.946 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCC(C)(C)CC2)cc1Cl 235902259 HSZDFTWMJQWYOW-OAHLLOKOSA-N 291.822 4.792 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2Cc3cc(F)ccc3O2)C1 251741444 TXSHARURVQJWPF-MZMPZRCHSA-N 287.378 4.629 30 10 CJEE CCC[C@H](C)COc1c(C(C)=NO)ccc2ccccc12 252430281 FXGLDDNFYYVSHD-ZDUSSCGKSA-N 285.387 4.853 30 10 CJEE C=CCSc1ccc(CNC(C)(C)C)c(Cl)c1 310293143 KHNPMDADUOUMON-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE C=C([C@H](NCCC)c1coc2ccccc12)C(F)(F)F 312908088 ZJMCDSFOPCUMHH-AWEZNQCLSA-N 283.293 4.592 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC[C@H]2CCCO2)CC1 317328807 PYEAOCDOSNEENM-PQUAAJSLSA-N 280.452 4.757 30 10 CJEE CCCC1CCC(C=O)(CC2CC(F)(F)C2)CC1 317406406 CTJMUZVBSALKHH-UHFFFAOYSA-N 258.352 4.597 30 10 CJEE C=C(CC)C[C@]1(CNCC(C)C)CC[C@@H](CC)C1 318145870 GKXJTCLWCAOMCC-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CCCCCCCOc1cccc(C[C@H](C)N)c1Cl 328210430 ILOXOEJUNSSDJX-ZDUSSCGKSA-N 283.843 4.579 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](C)[C@@H]1C 379440143 QWUKEHGWOJFNHQ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C[C@]1(CC#N)CC[C@@]2(CCCC[C@@H]2c2ccccc2)O1 380484476 AZFDFYCOQLSBTI-KZNAEPCWSA-N 269.388 4.566 30 10 CJEE C[C@@H](CCS)CCN(Cc1ccccc1)[C@H](C)C1CC1 385858101 IMCADPLJLRLHBU-HZPDHXFCSA-N 291.504 4.633 30 10 CJEE C=C([C@H](NCCC)c1cc(F)ccc1Cl)C(F)(F)F 388721758 JMHPCNHXZLWBLF-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE CCCC1(C/N=C2/NC3(CCC(C)CC3)CS2)CCC1 391988155 WUNASEMUKHPGKC-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE C=CC[C@H](CC)Nc1nc(Cl)nc2sc(CC)cc12 393805410 AWLCOPMRLICFPA-VIFPVBQESA-N 295.839 4.674 30 10 CJEE CCCCCCCCOCCC(C)(C)CNC(C)C 395652583 QBPYSLYYLKRNGT-UHFFFAOYSA-N 271.489 4.778 30 10 CJEE Cc1c(Cl)cccc1NC[C@@H](C#N)C1CCCCC1 397137348 JFVXAMAJWAAOAS-CQSZACIVSA-N 276.811 4.780 30 10 CJEE C=CCC[C@H](CCC)[C@H](OC(=N)O)c1ccccc1 585665328 KVQBYLNYGNIXHV-ZFWWWQNUSA-N 261.365 4.620 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](c1ccccc1)C(C)C 620309923 GVYBCLIQYVPBMB-OTWHNJEPSA-N 297.442 4.526 30 10 CJEE C#CCCCCC[C@@H](CCc1ccccc1)NCCC 686696012 STTPHSCIGZQEEA-IBGZPJMESA-N 271.448 4.571 30 10 CJEE C[C@@H](CC(C)(C)C)/N=C1/NC2(CCCCC2)CCS1 687324826 CAKHKAJSPRLQTA-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Cl)cc(F)c1F 690914491 RWVNQYDRQVDPDQ-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1cc2cscc2s1 693991463 AEAFXRBEKUSWAP-WKPIXPDZSA-N 291.441 4.716 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1N[C@@H](C)CCC#N 695859684 QERIJKHUOCRLEX-INIZCTEOSA-N 294.398 4.678 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc4c(c3)CCC4)C[C@@H](C1)C2 700384549 IUYRXYQVHBXNDK-RTHVDDQRSA-N 267.416 4.722 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(C)c(F)c(C)c1 702138167 KXFYAZYVKSEDOZ-INIZCTEOSA-N 263.400 4.840 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@@H](CCC)C1 704904937 SINZSYZDNHVIRT-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1C(C)C 709344509 NGXINPDPYCYTII-OWSLCNJRSA-N 263.469 4.926 30 10 CJEE CN(C[C@H]1CCCC2(CC2)C1)CC1(CS)CCCCC1 710140335 CJTHOQNVSRRRRV-INIZCTEOSA-N 295.536 4.769 30 10 CJEE C=C(Cl)C[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 710479446 QINCOJSWIJEJRX-KLZNEWFBSA-N 281.871 4.714 30 10 CJEE C=CCC[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580093 ITJHNCNHZZKFSO-GFCCVEGCSA-N 291.744 4.976 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cccc(Oc2ccccc2)c1 715029091 OGIUCCOZAIEWKD-KDOFPFPSSA-N 268.356 4.725 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC[C@@H](C2CC2)O1 715470241 HXSJWCFPEPDNDL-ROUUACIJSA-N 281.484 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C(C)(C)c1ccc(F)cc1 715752399 IAPMJAUTCVINHM-YOEHRIQHSA-N 277.427 4.684 30 10 CJEE C=CC[C@@H](C)[C@H](CCCc1ccccc1)NCCC 715796902 QTVNKVRKWQRQMF-AEFFLSMTSA-N 259.437 4.590 30 10 CJEE C=CC[C@H](C)C(=O)c1cc2cccc(Br)c2o1 715800155 RFUQEPOTWPJOKL-VIFPVBQESA-N 293.160 4.590 30 10 CJEE Cc1nc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c(Cl)cc1C#N 717429590 BZFOKTBDYKYXKL-IINYFYTJSA-N 291.826 4.542 30 10 CJEE CCSc1cccc(N(C)C2(C)CCCCC2)c1C#N 720366845 FYMQTRRYSLDTMF-UHFFFAOYSA-N 288.460 4.829 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C[C@@H](C)O[C@H](C)C1 724262739 ABODQLNIGYJBJI-NUJGCVRESA-N 281.484 4.695 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(Cl)cc2F)CC1 724547709 UBTCUWZQJRLNIB-OAHLLOKOSA-N 268.759 4.649 30 10 CJEE C=C1CCC(CC(=O)CSc2ccccc2F)CC1 724590232 PRTKQDPRXSXUPE-UHFFFAOYSA-N 278.392 4.623 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)Cl 907677498 QOWBTOARRLGRDF-ZRDIBKRKSA-N 277.795 4.620 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1 1131384797 FZFHUGIKHYYTDW-UHFFFAOYSA-N 293.410 4.828 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1c1ccccc1Cl 1141946674 ABIVZMLUECDMKS-INIZCTEOSA-N 291.822 4.606 30 10 CJEE C=CC(C)(C)CNc1nc2cccc(OC(F)F)c2s1 1163295103 WOAIGCVBSIHIBA-UHFFFAOYSA-N 298.358 4.522 30 10 CJEE C=CCCCN(CC)CCCOc1cccc2ccccc12 1176798665 VQGZFDCKQBEPBP-UHFFFAOYSA-N 297.442 4.897 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2nccc3ccccc23)C1 1182795458 BGONGUWTSNDCJY-JKSUJKDBSA-N 280.415 4.584 30 10 CJEE CCCCCCCCN1CCC(c2ccccn2)CC1 1192938204 FPOLTYYTOKWRQQ-UHFFFAOYSA-N 274.452 4.622 30 10 CJEE C=CCCN(OCc1ccccc1)[C@@H](C)c1ccccc1 1193563845 OPPBAEISXWCHDF-KRWDZBQOSA-N 281.399 4.758 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2ccc(CC)cc2)CCCCC1 1266841606 KHIMPMFEHBXEQD-INIZCTEOSA-N 299.458 4.953 30 10 CJEE C=CCN(C(=O)/C(C)=C/c1ccc(C)cc1)c1ccccc1 1352783917 YQHIKMPVTRAGIJ-BMRADRMJSA-N 291.394 4.618 30 10 CJEE C=CCCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 1357343714 FKDPQKHJOJQPJI-UHFFFAOYSA-N 295.382 4.798 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1cccc(C)c1 1460554477 HFKWSSHKXHLDTM-LJQANCHMSA-N 271.448 4.748 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(OCCC)cc2)C1 1461359279 SXBJXXHOXIWQQI-GDBMZVCRSA-N 259.393 4.632 30 10 CJEE C=CCC1(CNCCc2cccc(Cl)c2)CCCC1 1462235159 VSMUWGBUKTZGFE-UHFFFAOYSA-N 277.839 4.609 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 1462600628 JCHNEKGNDUJUQU-QAQDUYKDSA-N 291.479 4.702 30 10 CJEE C=CCCCCSc1nccn1-c1ccccc1C 1472954724 MHGPWIFMAIEVIP-UHFFFAOYSA-N 272.417 4.629 30 10 CJEE C=CCC[C@H](C)Nc1cc(OC)c2ccccc2c1 1474721239 UTKZGWHFQRQSDO-ZDUSSCGKSA-N 255.361 4.615 30 10 CJEE C=CCn1ncc2ccc(NC3CCC(C(C)C)CC3)cc21 1474729995 NAHUUFSBLPFSAV-UHFFFAOYSA-N 297.446 4.849 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@@]23CCCC[C@@H]2C3)c1 1477188689 PBGNRRVQVYRIMT-OGWOLHLISA-N 298.430 4.810 30 10 CJEE C=C[C@@H](OC(=O)C(C1CCC1)C1CCC1)c1ccccc1 1532387685 NILJHZVFNQECTC-QGZVFWFLSA-N 284.399 4.673 30 10 CJEE C=C[C@H](OC(=O)c1cc2ccccc2o1)c1ccccc1 1532388123 SGJORGBXMHNUDX-HNNXBMFYSA-N 278.307 4.517 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@@H](c1ccccc1)C(C)C 1540193940 UURUFEHAQUIMGP-QGZVFWFLSA-N 287.447 4.535 30 10 CJEE Cc1cccc([C@@H]2CCCCN2C[C@H](C)CCC#N)c1C 1560633781 FNPHSDUKAORGRK-BEFAXECRSA-N 284.447 4.770 30 10 CJEE C=CCn1c(SC[C@H](C)C(C)(C)C)nc2ccccc21 1613175960 IIFQDKXAXFKYQV-ZDUSSCGKSA-N 288.460 4.997 30 10 CJEE C#CCCCCCCN1CCCC[C@H]1c1ccccc1OC 1615444577 CPNNRGFJFAGXOO-IBGZPJMESA-N 299.458 4.806 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(F)c(Cl)cc2OC)C1 1621540529 PEFXHJAJKQUISJ-GHMZBOCLSA-N 283.774 4.644 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c(Cl)c1 1621547552 DIVBBFYJDYKDCR-YWPYICTPSA-N 261.796 4.558 30 10 CJEE C=C(C)CCN1CCCCC[C@@H]1/C=C/c1ccccc1 1644936469 DQNKSRMPNREXGC-JXOMPUQVSA-N 269.432 4.911 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 1652833004 XYTGUQSIYXBBKX-IXDOHACOSA-N 293.401 4.587 30 10 CJEE C=CCCCCCN(C)CC1CCC(C)(C)CC1 1657377700 IDGXJBPIRMAJAR-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](CC)c2ccc(F)cc2)C1 1657519779 DFPYZPNXTQTPGM-IAOVAPTHSA-N 261.384 4.611 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H](C)c1ccc(C)cc1 1658468849 WROHRXCRYYOWRV-QGZVFWFLSA-N 297.417 4.926 30 10 CJEE C=CC[C@H]1CCN(Cc2c(CC)ccc3ccccc23)C1 1659571070 HQOQDQMGVXSAMR-INIZCTEOSA-N 279.427 4.800 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@@H]1Cc1ccccc1 1659808630 PXVLDVOZBVOCSG-MOPGFXCFSA-N 285.475 4.980 30 10 CJEE C#Cc1cccc(N[C@@H](C)[C@@H]2CCC(C)=C(C)C2)c1 1664195091 VIYCJXAPTBTWJI-DOTOQJQBSA-N 253.389 4.605 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCc1ccccc1F 1665420397 MXZXGBWMLUSBAA-OAHLLOKOSA-N 277.427 4.729 30 10 CJEE C=CCCCCCCCCNC(=O)N1[C@H](C)CCC1(C)C 1681692252 SMRCSZPTRBZYAA-MRXNPFEDSA-N 294.483 4.876 30 10 CJEE C=C1CC(C[C@@H](NCCC)C2(C(C)(C)C)CCC2)C1 1876770178 NNIMPDODQOYTGY-MRXNPFEDSA-N 263.469 4.927 30 10 CJEE CC#CCCC[C@H](C[C@H]1CCC12CCC2)NCCC 1879642118 VZLCQFKXLUANAU-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC#CCCC[C@@H](NCCC)c1csc(C(C)C)n1 1879646141 CLVMANOQHMEOOW-CQSZACIVSA-N 278.465 4.501 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)c1ccsc1Cl)C1CC1 1887463000 CZXJYHFIUPENKJ-DZGCQCFKSA-N 295.879 4.882 30 10 CJEE CCCN(c1cc(Cl)ccc1C#N)C1CCCCC1 1888723369 OIHBLHNSHKYBOZ-UHFFFAOYSA-N 276.811 4.761 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cscc1Cl 1903155598 IOBCCXOKJZHYMB-GFCCVEGCSA-N 257.830 4.654 30 10 CJEE CC(F)(F)CCSC[C@](C)(CS)C(C)(C)C 1904857958 DGWBGVCIOCOUHT-NSHDSACASA-N 270.454 4.747 30 10 CJEE CN(C[C@@H](CS)C1CCC1)[C@@H]1CCC2(CCCCC2)C1 1916121370 BHFNYIZUZYFROO-DLBZAZTESA-N 295.536 4.767 30 10 CJEE CCCCCCCCCCCCOC[C@]1(F)CCNC1 1917054887 PZHQICJWYFANSX-KRWDZBQOSA-N 287.463 4.626 30 10 CJEE C=C([C@H](O)c1csc(-c2ccc(F)cc2)n1)C(C)(C)C 1919682499 UWBCKUUNTDJVPW-AWEZNQCLSA-N 291.391 4.585 30 10 CJEE C[C@@](O)(c1ccc(Cl)s1)C1(C#N)CCCCCCC1 1921102968 QEDDCSJDMFOWJZ-CQSZACIVSA-N 297.851 4.863 30 10 CJEE C=C([C@H](NCC)C1(OCC)CCCCCC1)[Si](C)(C)C 1922966989 ARBQPAVTEYEKEL-INIZCTEOSA-N 297.559 4.528 30 10 CJEE C=C([C@H](NCCC)[C@H]1CCCC[C@@H]1C)[Si](C)(C)C 1922991894 WDNDAKLFQHYUHZ-BPUTZDHNSA-N 267.533 4.615 30 10 CJEE CCCCCCCC[C@@H]1[C@@H](CN)CCC12CCC2 1924802069 NHFKKCHLXYBBAF-HZPDHXFCSA-N 251.458 4.892 30 10 CJEE 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CJEE CCCCCCC[C@@H](OCCCN)C1C(C)(C)C1(C)C 2294394116 RRKIMGUTOACEAK-OAHLLOKOSA-N 283.500 4.763 30 10 CJEE CCC[C@@H]1CCC[C@@](N)(C#Cc2ccccc2Cl)CC1 2295227322 UGEAFLKCXBTKPS-QAPCUYQASA-N 289.850 4.769 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](C)[C@@H](N)[C@H]1C 2295540317 FIZAFYWXOGPLHS-WNRNVDISSA-N 282.516 4.573 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnc(F)cc1C 2295582271 AZDNOXIKZBPQRH-KRWDZBQOSA-N 281.415 4.877 30 10 CJEE CCCCCCCCCC[C@@H](O)CCC[C@H]1CCNC1 2296102256 VZHPROJVYKWPDX-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE O=C(C=CNc1ccc(Cl)cc1Cl)c1cccs1 2297535337 RAPISYYLEPEGOY-UHFFFAOYSA-N 298.194 4.863 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc(Cl)ccc1Cl 2301012062 AIQOKQLWCVLGHM-CQSZACIVSA-N 270.203 4.762 30 10 CJEE CC1(COC[C@](C)(CS)C(C)(C)C)CCCC1 2307104712 XHRCHKODSMEDCK-OAHLLOKOSA-N 258.471 4.566 30 10 CJEE C=CCC(CC=C)C(=O)c1cc2ccccc2s1 2316739580 SSEIOZYYEIXFSD-UHFFFAOYSA-N 256.370 4.852 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H](C)CC(C)C 2316750312 RWDVLCDXVSMVSS-WBVHZDCISA-N 251.458 4.805 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2316778727 ZXNMDJABBKIWQN-CYBMUJFWSA-N 273.754 4.702 30 10 CJEE Cc1c([C@@H](O)C#CC2CCCC2)ccc(Cl)c1Cl 2316990435 RROHIQHZYXLRPH-AWEZNQCLSA-N 283.198 4.529 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CC12CCC2 2318907434 FEPYWTWLZMMEPC-ZDUSSCGKSA-N 259.418 4.567 30 10 CJEE C=C(C)C[C@H](C[C@@]1(C)CCCCC1(F)F)NCC 2319293229 NOBPMPKHIILQTB-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)ccc1F 2321099502 SOFMPHIURBUNRA-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC12CCC(CC1)CC2 2321238531 XAXFWUCPDDJFEK-GMRIPVOYSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H]1C[C@H](F)C1 2327435271 UGBJUPZFFJAYIZ-BZUAXINKSA-N 255.421 4.629 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329718137 KMIAEOFMOWALER-TUVASFSCSA-N 273.411 4.759 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2330290712 CTXYYBSPADHBTM-DZVNLGKHSA-N 263.469 4.761 30 10 CJEE CC#CCCCC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2332426473 YGRRRFAOCGDGNS-WNRNVDISSA-N 261.453 4.504 30 10 CJEE C=CCC(CC=C)Sc1c(Cl)cccc1C[C@H](C)N 2335103058 GNZOFJWIDVVPRY-LBPRGKRZSA-N 295.879 4.843 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2335112887 UGNGGIXODLOKTR-HNNXBMFYSA-N 281.827 4.664 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CCCC2)CC[C@@H]1N 2335190428 ILZYFICSFFEDSH-HOTGVXAUSA-N 279.493 4.681 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC(C)(C)[C@@H](NCC)C1 2335207018 PNAJZWRXJXGOBZ-HOTGVXAUSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc2sccc2c1 2337064224 OOJAGCOEDAGFGF-ZBFHGGJFSA-N 271.429 4.736 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1sc(C)cc1C 2338253165 TUMTVIAGBIYLLM-OAHLLOKOSA-N 289.469 4.519 30 10 CJEE C#CC[C@@H](C[C@H](O)c1ccc(Cl)c(Cl)c1C)C1CC1 2339050525 QYGVRCGBZXXQRH-WFASDCNBSA-N 297.225 4.775 30 10 CJEE CCCCC1CCC(C(=O)C#C[C@@H]2CC2(C)C)CC1 2339579894 BLNFKANBUWDGOS-UYSNPLJNSA-N 260.421 4.602 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1c(Cl)cc(F)cc1Cl 2340805755 YCWZODYCMOBMCX-HNNXBMFYSA-N 297.156 4.879 30 10 CJEE C=C(C)C[C@@H](NC)[C@H](c1ccccc1)C1CCCC1 2342355111 YXKYTHZIQMUWOH-QZTJIDSGSA-N 257.421 4.515 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C(C)(F)F)cc1 2344376981 HUFRQPWETVHYEY-OAHLLOKOSA-N 266.331 4.973 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CC12CCCCC2)NCC 2344384238 VRZBDNQNMLZASH-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1C1CCCC1 2360132850 PYKPVATWCRBRIL-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)SC[C@](C#N)(C[C@@H](C)CC)NCC 2360208814 UMWVSTNOVRTURH-DOTOQJQBSA-N 294.508 4.548 30 10 CJEE CCCCCC1CCC(c2ccc(/C(N)=N/O)cc2)CC1 2547353 HLMDCTPCNMGHAG-UHFFFAOYSA-N 288.435 4.635 30 10 CJEE CCCCCCC(=O)/C=C/c1cccc(OCOCC)c1 5430559 DEWZWTIIAAZTAH-OUKQBFOZSA-N 290.403 4.612 30 10 CJEE CCCc1ccc([C@@H](C)Nc2ccccc2C#N)cc1 20009567 SOJSEWBYBGROTO-CQSZACIVSA-N 264.372 4.684 30 10 CJEE O=C(/C=C\c1ccco1)c1ccc(-c2ccccc2)cc1 33517491 GYQWBOPWQQNAIH-SEYXRHQNSA-N 274.319 4.843 30 10 CJEE C[C@H](CCc1ccccc1)Nc1cc(Cl)ccc1C#N 36954460 POEXVBQSWPIGJL-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE CCC[C@H](Nc1cc(C#N)cc(F)c1C)c1ccccc1 37089108 QFDMCNIDSXQKTM-KRWDZBQOSA-N 282.362 4.959 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCCc2ccccc21 37938030 YUMRCPJVYGYYPF-IBGZPJMESA-N 276.383 4.552 30 10 CJEE CCCC(C#N)(CCC)C(=O)N[C@@H](CC)C1CCCCC1 52343189 ZNMBEYBOXBRIQH-INIZCTEOSA-N 292.467 4.572 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2cc(C)c(C)cc2C)cc1 57684966 SJDVCNOICQTCQK-IBGZPJMESA-N 293.410 4.997 30 10 CJEE Cc1ccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1 59459033 WTJJQEQYYGFIOD-PXLXIMEGSA-N 299.373 4.977 30 10 CJEE N#CC[C@@H]1CCCC[C@@H]1c1ccc(Br)cc1 62670603 MHCZLPKPEFFFLL-FZMZJTMJSA-N 278.193 4.637 30 10 CJEE CCCCn1c(Cl)c(C#N)c2cccc(CC)c21 71465888 DPRHNSULWUSUJE-UHFFFAOYSA-N 260.768 4.529 30 10 CJEE CSc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086423 PHRQZBLOFAGGPU-UHFFFAOYSA-N 283.274 4.559 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cccc(Br)c2)C1 87930461 MZUHXSGGEDZZKQ-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 91880784 CCBHJELYCHYJMH-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CCCCN(C[C@@H](CS)c1ccccc1)[C@@H](C)CC 94581557 HUQKMAPICNQLQU-RDJZCZTQSA-N 279.493 4.601 30 10 CJEE CCCC(CS)(CCC)COc1ccc(F)c(F)c1 94584753 CBHWOMYKMNYWKC-UHFFFAOYSA-N 288.403 4.860 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(C)c(F)c2)c1 103031059 RGGVAIZVUVGSRD-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CSc1ccc(N/C=C\C(=O)c2cc(C)ccc2C)cc1 103031126 DTOWATHTCABPCK-KHPPLWFESA-N 297.423 4.834 30 10 CJEE CCCCCCCCO[C@@H](c1cccs1)[C@H](C)N 103454603 SPIKQAVZUZEZEY-DZGCQCFKSA-N 269.454 4.514 30 10 CJEE CCCCCCCCCOc1ccccc1C(=O)O 106400352 PVULMDLILHXVIO-UHFFFAOYSA-N 264.365 4.514 30 10 CJEE C[C@H](CCS)c1ccc(OCc2ccccc2)cc1 107578672 BRWPEARHMCKQEQ-CQSZACIVSA-N 272.413 4.689 30 10 CJEE Cc1ccc(C#N)cc1NC1CC(c2ccccc2Cl)C1 109945260 CKPHKGHGZSNILQ-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE C[C@H]1CCCC[C@@H]1N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264881 QACOLCUZFZETFJ-OBVSXPTNSA-N 290.495 4.851 30 10 CJEE CCCCCCCCC[C@@H](CSCCC)NC 114861931 HNSDBAJPWNNIPE-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCOc1c(C)cc(C#N)cc1C 115088489 SOARKJXTKZTNKO-UHFFFAOYSA-N 259.393 4.914 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1ccc(C#N)c(Cl)c1 116383263 AAPLTKXKGFNBLN-HNNXBMFYSA-N 284.790 4.645 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(CC)N1CCCC1 118161371 NRNREXSWIFCCBF-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CC(C)(CNc1ccc(C#N)c(Cl)c1)c1cccs1 126272407 HEEXETUKSGWCLS-UHFFFAOYSA-N 290.819 4.663 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](OCC)C1CC1 130519136 KIHPJHVFNAVFCU-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(C)CCCS1 139450223 GYUXSCFBDRGCGT-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE CCCCCCCCCCC[C@H](NN)C1CCC1 161833047 SOWMTUITLXWDEI-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCOc1ccc([C@@H](CC)NCC)nc1 162249106 VGSNPWUGANFKQG-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE C=C(C)CCNc1cc(Cl)c(C)cc1Br 169022737 TVDBTFRUXLWZDR-UHFFFAOYSA-N 288.616 4.789 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)CCCOC1 203411023 WOIWPNOUJWVRCN-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(F)c(C#N)c1 218181100 VSHNQPSFIODOIN-MJEQTWJJSA-N 274.383 4.570 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 219620598 SIZZYSKIRXTOPB-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CCCC[C@@H](CCC)N[C@H](CC#N)c1ccccc1 226038993 OULXMIRZQGVQFK-IAGOWNOFSA-N 258.409 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC(C)(C)CC2)C1 227075120 WUSSKZSCPZXITK-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCC[C@@H]2CC)C1 231021315 QDEJNAUQPCKODR-BDXSIMOUSA-N 276.468 4.750 30 10 CJEE Cc1ccc(Nc2ccc(C(C)C)cc2)c(C#N)c1 232772624 HZWFXUNVKRAFGJ-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C#N)c(C#N)c1 232934088 QZFBTAHSMPNNCV-CQSZACIVSA-N 269.392 4.591 30 10 CJEE C=CCCCCC[C@H](NCCC)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300615625 OGWORKJDNFUCBK-ATIWLJMLSA-N 275.480 4.783 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300672321 ZFTGHOWTOWKWQU-UXJCHEOYSA-N 263.469 4.617 30 10 CJEE CCCCCCCCC(=O)Nc1cnc(Cl)cc1C 302277427 IGBARRQTEOVVHW-UHFFFAOYSA-N 282.815 4.733 30 10 CJEE N#Cc1ccc(NCc2cccc(Cl)c2Cl)cc1F 307923846 LQGJDBISGJFWDX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CCCSC1 310205243 CRAMUGRUQJRGRZ-LSDHHAIUSA-N 258.471 4.631 30 10 CJEE C[C@@H]1CC[C@@H](n2ccc3c(C#N)cccc32)C[C@H]1C 311267807 DVQGMXQLNJYCMO-UMVBOHGHSA-N 252.361 4.510 30 10 CJEE CC(C)(C)C1CCC(C#N)(COC2CCCC2)CC1 311833299 KWWPHFWEOBXWKI-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(F)c(F)c1 312065250 KNPNKVONECFWOY-CYBMUJFWSA-N 267.363 4.752 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(n1)CCC2 313087605 MIKYWECVZSQKIU-GOSISDBHSA-N 275.436 4.744 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(C)c(C)n1 313784509 ACEADRWXWWNWQJ-OAHLLOKOSA-N 262.441 4.537 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)CC1 317100988 FIGZJULOHTYISG-NNCLKIPCSA-N 278.436 4.510 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCCc2ccccc21 381734057 NTSBQAQYYMYPQJ-KRWDZBQOSA-N 257.421 4.646 30 10 CJEE CCCCCCCN[C@@H](C)[C@H]1CC2CCC1CC2 382071978 HFDCQRFTOVCMFL-ZGRYLRDCSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)C2CCC(C)(C)CC2)C1 383962176 CHKBZXASWXDWND-QGPMSJSTSA-N 277.452 4.674 30 10 CJEE C#C[C@H](NCC(C)(C)CCCCC)c1ccccc1 393147192 IMQFRNDNGMCLNT-KRWDZBQOSA-N 257.421 4.557 30 10 CJEE C=CC[C@@H](CC)N[C@@H](CC)c1ccc(Br)cc1 393817596 ZDOVBGNUWUHHJI-CABCVRRESA-N 296.252 4.845 30 10 CJEE N#CC1([C@@H](O)CCC2CCCCC2)CCCCCCC1 395094054 DBHUEXDFULDVDJ-KRWDZBQOSA-N 277.452 4.962 30 10 CJEE Cc1cccc(N[C@H](C#N)CCC2CCCCC2)c1 395162480 USVHQBVEAYLTBX-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCCCCCC[C@@H](C)NCCSC(C)(C)C 397341146 DNLXPQSQMYRREC-CQSZACIVSA-N 259.503 4.857 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(Br)c(C)c1 398126466 SZZKAAORPLGJIF-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE C=CCCC[C@@H](C)NC1CC(c2ccccc2Cl)C1 398153005 FFRURIANVXVKFK-WLYUNCDWSA-N 277.839 4.920 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]1(C)C[C@@H]1F 399292217 HXZPJVRAZXYAEO-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE CCCCCCCCCCC[C@@H](N)C[C@@H]1CCOC1 400932200 JJDUSIKUBLUXIY-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CC[C@@H](Oc1cccc(SC)c1C#N)c1ccccc1 403074495 HGKRFBYEDBMMBM-OAHLLOKOSA-N 283.396 4.810 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@@H](O)CO[C@@H]1C 405738479 BDTQHSYOSTYOGI-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE N#CCc1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1 514262530 FERNMSGZNRMMRK-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@H]1c1ccc(C#N)cc1 616594916 STBVLQVTGIJZOA-IBGZPJMESA-N 290.410 4.851 30 10 CJEE C#CCCCCC[C@H](NCC)c1c(C)cccc1C 686687414 PGTKXNHPFMNCGM-KRWDZBQOSA-N 257.421 4.538 30 10 CJEE C#CCCCCC[C@@H](NC)C1CCC(C(F)(F)F)CC1 686691644 OUNULYWTCOHGQU-YMAMQOFZSA-N 289.385 4.527 30 10 CJEE CC(C)C[C@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688315848 NZVDBMDCRHHREV-INIZCTEOSA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@H](C[C@@]1(C)CC1(F)F)NCC 689121984 DCJFFZPYWANLNI-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]12CCC[C@@H]1C2 693141254 AQLHTYNHQNOCRK-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)CC1 697856343 UHYNLOWQIPIYET-CZUORRHYSA-N 290.838 4.612 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CC[C@H]2C[C@@H]2C1 700024906 SWRDNLQTBAVXRO-ILXRZTDVSA-N 273.445 4.813 30 10 CJEE C=CC(C)(C)CCNCc1cc(Cl)ccc1Cl 701909851 CZVHEGSVKKFHPD-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE C#C[C@@H](NCc1cc(-c2cccs2)cs1)C(C)(C)C 702296414 VBYDNDOLHXLIDZ-OAHLLOKOSA-N 289.469 4.614 30 10 CJEE CC(C)C1CCC(C#N)(Cc2cncc(Cl)c2)CC1 703683162 KMMIVLRPOFNNMD-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE CCCCCCCCCCCC[C@]1(N)COC[C@@H]1C 704863909 DWBRLIFXWNXUOL-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccns1 705424313 SKBMYLQEQFIMIK-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cscc1Cl 711528436 NGELPAZRVORDAJ-CYBMUJFWSA-N 257.830 4.799 30 10 CJEE CCCCCCCC[C@H](COC1CCC1)NCCC 714915643 OKZMKIJNVYHVBE-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1CCC2(CCC2)O1 717668596 DHOKEFMTZZJVNW-SJORKVTESA-N 282.468 4.980 30 10 CJEE C[C@@H](OC[C@H](CS)C(C)(C)C)C1CCCCC1 719741802 CBUVJWYCBVWRNB-TZMCWYRMSA-N 258.471 4.564 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cc(F)cc(F)c2)CC1 724566587 PCRUHDHBYCZATG-QGZVFWFLSA-N 279.374 4.752 30 10 CJEE CC(C)(C)c1cc(C#N)ccc1CC1CCCCC1 725441437 PABJRUWINGIOGN-UHFFFAOYSA-N 255.405 4.979 30 10 CJEE C#CCCCCC(=O)Nc1c(C)cc(Cl)c2ccccc12 765811184 OSUXCQSXFBWWFE-UHFFFAOYSA-N 299.801 4.934 30 10 CJEE C=CCCC[C@@H](C)OC(=O)c1cc(C2CC2)cnc1Cl 796165043 AUBVFXXBXAYTEW-LLVKDONJSA-N 293.794 4.514 30 10 CJEE CCc1ccc(/C(=N/OCc2ccc(F)cc2)C2CC2)cc1 821226486 FVZLNMHSLZGVRX-VZCXRCSSSA-N 297.373 4.719 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC12CCC2 879352079 JHJOGZNVEAPERB-INIZCTEOSA-N 298.430 4.603 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]1CC=C 931059606 MVWULAUUWXZFNO-MRXNPFEDSA-N 298.430 4.721 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 1145005844 YBAOBZFFURWOCV-YJLNNSPDSA-N 299.458 4.945 30 10 CJEE CC#CCN(Cc1ccc(-c2ccc(C)cc2)s1)C(C)C 1167199174 GLDLVYNEUVRHQL-UHFFFAOYSA-N 297.467 4.957 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(OC)cc1)C(C)C 1168786088 WUTPSVXMNJJQDA-GOSISDBHSA-N 275.436 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4.722 30 10 CJEE C=CCCCCCCCCCN1CCOC[C@]1(C)CC 2207380931 DMHWDTRSEVABKB-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCN1CCC[C@H](COC)C1 2207383107 ZGFIXPKRPHHQMH-SFHVURJKSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCC[C@](C)(N)c1cncc(F)c1 2207406436 YJDNGWJSCYPGQX-KRWDZBQOSA-N 278.415 4.701 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1CCCOCC1 2207408663 JDBZIRBCZBXTJO-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@]1(N)COCC[C@@H]1CC 2207428712 ZSBBFVSXQOHKME-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCNC[C@@H](OCC)C1CC1 2207429365 IKTYDJOJUJNCLB-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H](O)[C@H](C)CC(C)C 2207437484 QNMRJLLUBSDIJN-SQNIBIBYSA-N 283.500 4.664 30 10 CJEE C=CCCCCCCCCCNC[C@H]1CC[C@H](CC)O1 2207437489 QNYFGLORVUSQAF-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCC[C@H](F)C1 2207439567 BJLIHFGMCPUZCW-ULQDDVLXSA-N 284.463 4.653 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@](O)(CCC)C1CC1 2207441399 IFAQCOANLHKVIO-ZWKOTPCHSA-N 281.484 4.562 30 10 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C=C(C)CCCC[C@@H](NCCC)c1oc(CC)nc1C 2287471321 ZWWNRINLZAISCE-OAHLLOKOSA-N 278.440 4.723 30 10 CJEE C=CC[C@](C)(Nc1ccnc(C(C)(C)C)c1)C(F)(F)F 2289315678 KORBVORDMKFOLY-AWEZNQCLSA-N 286.341 4.688 30 10 CJEE NC(C#CC1CCCCC1)(C1CCCC1)C1CCCC1 2289709648 CDWAHWBEZKETAC-UHFFFAOYSA-N 273.464 4.648 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H](CC(C)C)C(C)C 2289790656 KGJXJZROQGSEGB-OALUTQOASA-N 277.496 4.867 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1sc(C)cc1C 2289862852 DENJQKHKMBJZBW-KRWDZBQOSA-N 289.488 4.989 30 10 CJEE C=CCCCCC[C@@]1(OCCC(=O)O)CC[C@@H](CC)C1 2292702046 ONJLPQPGHKCQEV-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)C=CC[C@@H](CC)C1 2292787826 QUJJNTLKRMLPPO-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CC[C@@H]2C[C@H]2C1 2293264158 UYHPJFNELFPIKQ-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCN)C(C1CC1)C1CC1 2293376077 VXKSWVOBCRFHMQ-QGZVFWFLSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CC[C@@H](C(C)C)C1 2293651845 MKEOELKKHDQRIG-QZTJIDSGSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CC(C)=C[C@H](C)C1 2293667282 NUAIAVLDUZFDIQ-SZMVWBNQSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@](CCC)(OCCN)C(C)(C)C)CC1 2294079795 GKZSVMJZYIXRFK-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CC[C@@H](Cc1c(C)c(C)c(C)c(C)c1C)NCCC 2294722816 IGAHQORNRFAGLI-SFHVURJKSA-N 273.464 4.716 30 10 CJEE CCCCCCCC=Cc1cccc(O)c1C(=O)OC 2295157466 ZATVVCGKLIDKBZ-UHFFFAOYSA-N 276.376 4.553 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CC1(C)CCC1 2295676727 NPRWJIHFRSGQGC-FUHWJXTLSA-N 283.500 4.786 30 10 CJEE C#CCCOCCCCCCCCCCCNCCC 2296255434 KADFYPBXMFLGDA-UHFFFAOYSA-N 281.484 4.537 30 10 CJEE CC1CCC(CS[C@H](C)CC(C)(C)C#N)CC1 2299030235 JLJJVCXJYOYDIG-ROKHWSDSSA-N 253.455 4.874 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(N)cc1Cl 2315462700 JDUCQZWLLQNVAH-ZANVPECISA-N 285.218 4.732 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1ccsc1Cl 2316452793 WEOQLOOXRMHWOU-CYBMUJFWSA-N 295.860 4.555 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(OC)c(Cl)s1 2318011459 IYOWTAUCSQXHDM-NSHDSACASA-N 287.856 4.807 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(OC)ccc1Cl 2321139237 XYIAQYHDGCFZDT-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE C=CCC(C)(C)CNCc1cc(F)c(Cl)cc1Cl 2325188413 FZQGUOIAEQMYSD-UHFFFAOYSA-N 290.209 4.824 30 10 CJEE Cc1cc(Cl)c(C#CCCCCCCN)c(Cl)c1 2327926226 HYPXBEPUMRPQOQ-UHFFFAOYSA-N 284.230 4.563 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330164366 YAYWNUXVCJGPQQ-XQLPTFJDSA-N 273.411 4.616 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@H](COC)C2)C1 2331336628 RAHDYWYLHNIDTG-YVSFHVDLSA-N 263.425 4.549 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)NC)cc1F 2335232295 PDINXZPCQUXEDF-LBPRGKRZSA-N 279.424 4.719 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(F)ccc1C(F)F 2338274769 OMMXFDXNNMPOBA-CQSZACIVSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)[C@@]1(N)CCCCC[C@H]1C(F)(F)F 2338728549 WGTNBAICVWEIJI-KGLIPLIRSA-N 275.358 4.595 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC)CCCCC12CCC2 2338744642 PPNVMEUGARODAQ-SFHVURJKSA-N 261.453 4.705 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338748073 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CJEE C=CC1(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CCCC2)CCC1 2357695914 GNLJUJDXLCAOPE-RCCFBDPRSA-N 275.480 4.927 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@H](NCCC)c1ccc(F)cc1 2360206889 CXAXNEZVKHYPRP-VBQJREDUSA-N 295.467 4.953 30 10 CJEE C=CCC(CC=C)OC[C@H](NCC)c1ccccc1Cl 2360215011 POSSXKIDGYFAJC-KRWDZBQOSA-N 293.838 4.528 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H]1CCC1(F)F)NCCC 2360412264 SXEYVLGVNMXHEX-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE c1ccc(CN/C(=N\c2ccccc2)c2ccccc2)cc1 6665013 NGJBHIGQDVADLS-UHFFFAOYSA-N 286.378 4.555 30 10 CJEE Cc1sc2ncc(CC#N)n2c1-c1ccc(C(C)C)cc1 36255541 WPZIIVDFRBLHEI-UHFFFAOYSA-N 295.411 4.561 30 10 CJEE CCc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1 36669428 BUQGJALCBYKRRC-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922128 SDCHNVSYHMTMJP-CQSZACIVSA-N 258.409 4.868 30 10 CJEE C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1cccc(C#N)c1 37271966 FCPCOOUJIHGODD-WBAXXEDZSA-N 284.447 4.814 30 10 CJEE Cc1ccccc1[C@H](C#N)CCOc1ccc2c(c1)CCC2 57686996 FBRAYHKSQGIGEG-SFHVURJKSA-N 291.394 4.560 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1C(=O)O 59207944 UENGCASUIAEZRH-ZDUSSCGKSA-N 263.381 4.546 30 10 CJEE Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(C(C)C)cc1 59505158 LBJDRDZDYRVRHK-WOJGMQOQSA-N 282.343 4.777 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCC2CCCC2)C1 62836077 GTJHTHQTCBOCOZ-BPLDGKMQSA-N 251.439 4.628 30 10 CJEE C=CCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 71276654 WAZGIGWQKNXDFO-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE CC1(C)CCC[C@@](C#N)(Nc2ccccc2Cl)C1 79980808 MKELSHBAQZSCOY-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE N#C[C@H](CNc1ccc(Cl)c(Cl)c1)c1ccccc1 80748438 QMQMSIFVGNEJPZ-GFCCVEGCSA-N 291.181 4.713 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)cc1Cl 81627655 CYVMBUZLSKPZSD-GXTWGEPZSA-N 274.795 4.592 30 10 CJEE Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1CS 82421264 SHGSMZWPFBPHHC-UHFFFAOYSA-N 277.458 4.846 30 10 CJEE Cc1ccc(C)c(C[C@]2(C#N)CCc3ccccc3C2)c1 87998209 HWIKUHBRYWLJEG-FQEVSTJZSA-N 275.395 4.545 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC(C)(C)CC2)C1 91903346 LQJLNKRWSZANEK-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634246 NYKCEMSXTNMTHZ-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE Cc1c(Cl)cnn1CCCCCCCCCS 97799990 JFAKZUZYBXUBIJ-UHFFFAOYSA-N 274.861 4.505 30 10 CJEE C#CC[C@@H](C)c1cc(OCCC)c(OCCC)cc1F 107489198 STZMMYRKHXVUOA-CYBMUJFWSA-N 278.367 4.530 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccccc1Cl 109713494 KKDNQABZUIVKGG-OAHLLOKOSA-N 268.828 4.994 30 10 CJEE CCCCCCCCO[C@H](CNCC)c1ccc(F)cc1 110070351 WGFIAAYDILPMTC-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CCCc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1 110254393 MGRYZXRNALRUTD-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE CCCCCN(c1c(C#N)cnc2ccccc12)C(C)C 110256329 YYEPHPCGGRPACZ-UHFFFAOYSA-N 281.403 4.511 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)NCC1(C)C 114057380 OLWCEZVQZFIAKW-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NCC12CCCC2 115236249 INESVYYDQCJFHX-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)c1ccccn1 117685421 PZUCOJJMHZKAQC-OAHLLOKOSA-N 261.409 4.895 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 122844477 VQWRZUVQBJDHGB-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1COc2ccccc21 124907237 ZUYLUYKNDJOPNF-IRXDYDNUSA-N 275.436 4.501 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1c(F)cccc1F 125536460 QTHLGEWJOPROIG-CQSZACIVSA-N 283.406 4.975 30 10 CJEE CCCCCCCCCNCc1cscc1C 125958325 XYFNWMZRMXHCJQ-UHFFFAOYSA-N 253.455 4.897 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1ccc(C(F)F)cc1 131494693 DGXLQJKENHCQPI-HNNXBMFYSA-N 278.346 4.501 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(Cl)cc(Cl)c1 131633058 ITVVJZCEDOGGGK-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C=CC[C@H](C)NCc1sc2ccccc2c1Cl 134747346 PSVUHDMSYZIQTR-JTQLQIEISA-N 265.809 4.609 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(CC)nn1C 135558853 ZCYGMLOZTVIBNC-QGZVFWFLSA-N 280.456 4.547 30 10 CJEE CSc1cccc(NCc2ccccc2Cl)c1C#N 136607952 INRKNRAAYVDOMM-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CSc1cccc(N2CCC[C@@H](C(C)C)CC2)c1C#N 136671229 VSVKVQYQXIRAEH-CQSZACIVSA-N 288.460 4.543 30 10 CJEE CCCCCCCCC[C@@H](CCOCC)NCC 139536057 QPNWNIKNYKDYRO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCCC[C@@H]1O 146322607 GMRCTNQUKZMZMK-DLBZAZTESA-N 270.457 4.837 30 10 CJEE N#CC1([C@@H](O)c2cc(F)cc(Cl)c2)CCCCCCC1 161408976 XSYRTQIFIGMGDM-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE C=C(C)CC[C@@H](CSc1ccccc1C)NCCC 164643136 SIXGVLNOAHWOBG-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=C(C)CCSc1ccc([C@H](C)NCCC)cc1 164862551 ANLYSGRLGLFKSP-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE O=C(C=C1SCCS1)c1ccc(-c2ccccc2)cc1 204869442 KBEKBNZBDDSSKF-UHFFFAOYSA-N 298.432 4.858 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)C[C@@H](C)CC(C)(C)C2)C1 218197688 XMOJDXZNMLLIDV-CIRFHOKZSA-N 277.452 4.674 30 10 CJEE CC(C)(CCC#N)CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229699116 KJDKJKAWRAUQAC-AFGAAMFOSA-N 288.479 4.655 30 10 CJEE O=C1C=C(C[C@H]2CCCc3ccccc32)CCCC1 230164281 RENKIZVAUWGJNQ-MRXNPFEDSA-N 254.373 4.566 30 10 CJEE C=C(C)CCC(=O)c1cc(Cl)ccc1Br 232451744 LGYSWEQWOIUGET-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cccnc1C 233124836 RWRIOBJUFUTASI-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE CCC[C@H](Nc1cccc(C)c1C#N)c1ccccc1 233361118 XEGGSSDUCLUEID-KRWDZBQOSA-N 264.372 4.820 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc(C)c1Br 233558260 ILOKSAYKJFKIGI-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C=CCCCCCNc1ccc(OC)c(Br)c1 234857272 MRQRGPBIYUIWFA-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1cc(F)ccc1F 235237214 IUGYCDGVVKDOEC-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1csc(C(=O)C2=CCCCCC2)c1Cl 235952841 HIKPKSUIGBTFJN-UHFFFAOYSA-N 254.782 4.783 30 10 CJEE O=C(C1=CCCCCC1)c1cc(F)ccc1C(F)(F)F 236246517 GDQDJZSENHXMPY-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C=CC[C@@H]1CCCCCCCCN1C(=O)OC(C)(C)C 238156776 MVSJZDKUUGTCPS-OAHLLOKOSA-N 281.440 4.913 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253051382 VEYLQWMFEHEYTR-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C[C@H](C#N)c1cn(C2CCCCC2)c2ccccc12 259918688 CYZDRHCDKCEDAF-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@H](C)S1 300170989 PUHLMBDITGCSKX-QPSCCSFWSA-N 289.554 4.690 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCC(F)(F)C1)NN 302419907 LNERQXIYPRZHPG-LSDHHAIUSA-N 290.442 4.785 30 10 CJEE O=C(CCc1ccc(Cl)cc1)C1=CCCCCC1 308544851 VODTULMWLCUWPG-UHFFFAOYSA-N 262.780 4.732 30 10 CJEE CCCCCCCn1ccc(CNCC(C)C)c1C 311370177 FTDFDWJIXOOXMF-UHFFFAOYSA-N 264.457 4.513 30 10 CJEE CC(C)c1ccc([C@]2(C)CCC[C@H](CC#N)O2)cc1 312118482 SJXAIWNSWMTDPP-SJORKVTESA-N 257.377 4.508 30 10 CJEE CCCCCCCCC(=O)c1cc(F)cc(OC)c1 312404725 YSZYOGDNJSOTME-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE C=C(C)C[C@@]1(CNC(C)(C)C)CCc2ccccc2C1 318012247 NARURBHCXATVQM-IBGZPJMESA-N 271.448 4.516 30 10 CJEE C=CCC(C)(C)CO[C@H](C)C(=O)c1ccc(Cl)s1 378686572 WGZDLIIGNJMSNL-SNVBAGLBSA-N 286.824 4.592 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](/C=C\C)c1ccccc1 380879770 ASODXXYVMIVIJJ-BDJZEXMMSA-N 287.403 4.727 30 10 CJEE C=C([C@H](NCCC)c1c(C)cc(C)cc1C)C(F)(F)F 383433735 GTRUMLDNTZFZOG-HNNXBMFYSA-N 285.353 4.771 30 10 CJEE C=C[C@@](C)(CCCCC1CCOCC1)CNC(C)(C)C 383454070 LPCUGPPMFPYBHC-SFHVURJKSA-N 281.484 4.554 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2sccc2C)C1 383591171 SIHIUKCNMCSSDI-PMPSAXMXSA-N 290.476 4.597 30 10 CJEE C=CC(C)(C)CN[C@@H](CC)c1ccc(Cl)cc1 385042158 OGAMEXSFZCZPAZ-AWEZNQCLSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H](CC)Nc1nc(Cl)nc2sc(CC)cc12 393805409 AWLCOPMRLICFPA-SECBINFHSA-N 295.839 4.674 30 10 CJEE CC(C)c1ccccc1N=C1N[C@@H](C(C)(C)C)CS1 393999612 NIOQTCZOUOMJLI-CQSZACIVSA-N 276.449 4.549 30 10 CJEE CCCCCCC[C@H](N)c1c(F)c(F)cc(F)c1F 395937609 UINSTOXTTHSYTC-NSHDSACASA-N 277.305 4.603 30 10 CJEE N#CCc1cc2scc(C(F)F)c2cc1Cl 396195353 VYSJJFKJVCWVBI-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1ccccc1SC[C@@H](C#N)C1CCCCC1 397137417 BITGLGWOGIIXOP-OAHLLOKOSA-N 259.418 4.807 30 10 CJEE CCC[C@](C#N)(Nc1cccc(Cl)c1)[C@H]1CC1(C)C 397711898 SUCRJPMAANMCFG-GOEBONIOSA-N 276.811 4.860 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1c(C)cccc1C(C)C 539442634 YTGKFTNXZSWKDX-HNNXBMFYSA-N 288.435 4.985 30 10 CJEE CC(C)CC[C@H](C)/N=C1/NC2(CCCCC2)CCS1 687320748 QFMLVHRPEBCOBA-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC2CC(F)(F)C2)C1 688023595 TYYLCTMIHRRJOL-UHFFFAOYSA-N 272.379 4.843 30 10 CJEE CCc1ccc(CC)c(Nc2ccc(C#N)cc2F)c1 689598701 ZDQCFNDMUWSBJZ-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCCCC[C@H]2CC)C1 691104022 NIVVNEBASOZRCI-BDXSIMOUSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(CC)s1 692255808 TYLMCBXKPITWQU-CJNGLKHVSA-N 263.450 4.535 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1csc(CC)n1 695438922 JBGREGHKFXILAK-CQSZACIVSA-N 280.481 4.883 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccc(Cl)c(F)c1 695714703 VWTLGXUXONDGBN-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCN(Cc1ccc(C)cc1)c1ccc(C#N)c(Cl)c1 699482741 DQLAMMMLYUBJJZ-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1nc(C)cs1 701950975 NKWRBNOCPZYZSZ-LBPRGKRZSA-N 290.457 4.903 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(Cl)cc1C 703997034 ZYOVFSPWNBTNPP-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE CCCCCCC[C@H](N)c1oc(C)cc1Br 706331595 IHZBJCFADCWYQY-LBPRGKRZSA-N 288.229 4.711 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)ccc1C(=O)O 709352049 BCWDNOBHUJSJNN-BXUZGUMPSA-N 293.794 4.585 30 10 CJEE CCCCCCCCCCCCC(=O)CCC1CNC1 709603511 XVLZXYJEYVQYBC-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccccc1C(F)(F)F 710606839 IOXRFXDJSHNTFD-CYBMUJFWSA-N 291.744 4.889 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccccc1Br 715727252 XQVSBFZXEVCKPF-WFASDCNBSA-N 296.252 4.702 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1 715790054 SYXWPANKIFVDLX-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccc(F)cc2F)C1 719377679 PCCYTTFRPYHNNE-YFCNSXCBSA-N 263.331 4.644 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(C)c(F)c2)CC1 724568595 UKCRRPDXUIVNRL-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(C)c(F)c2)CC1 724568596 UKCRRPDXUIVNRL-SFHVURJKSA-N 275.411 4.921 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CCC1 1132365160 UENYRBPNSLXMPE-ZDUSSCGKSA-N 291.822 4.606 30 10 CJEE C=C[C@@H](C)NCc1ccc(-c2ccc(Cl)cc2)s1 1178165964 PIDDCWATHZMQCH-LLVKDONJSA-N 277.820 4.733 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc2c(c1)C[C@H](C)O2 1184077241 NUXVBUTXXRUIAC-ZFWWWQNUSA-N 259.393 4.557 30 10 CJEE C=CCCCCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 1191212579 BCEHXFNRBGLVIQ-OALUTQOASA-N 271.448 4.919 30 10 CJEE C=C(C)CN(Cc1cccc(C(F)(F)F)c1)CC(C)C 1196471107 YOTCLCSHASXLAT-UHFFFAOYSA-N 285.353 4.740 30 10 CJEE C=CCC1(NCc2cc(C)c3ncccc3c2)CCCC1 1203136663 RNPKHDHXDIVNGU-UHFFFAOYSA-N 280.415 4.522 30 10 CJEE C=CCC1(NC(=O)C[C@H]2CCCCC2(C)C)CCCC1 1279400394 SEXABHXKUJALLV-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H](C(=O)Oc1cccc(Cl)c1)c1ccccc1 1350298637 SYPXVXIRTZPKKY-MRXNPFEDSA-N 286.758 4.605 30 10 CJEE C=CCCCCCCNC(=O)Cc1cccc2ccccc12 1459920727 TXTKEMOIAZBGEJ-UHFFFAOYSA-N 295.426 4.635 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCC[C@@H](C)C1 1460408250 INOJFLOMEIGCAW-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C#CCC1(NC[C@@H]2CCCCC2(C)C)CCCCC1 1460832958 WXAQFYKXFCZJDR-INIZCTEOSA-N 261.453 4.519 30 10 CJEE C=CCC[C@H]1CCCN1CCSc1ccc(Cl)cc1 1460886723 PGOWUCZRMDKWDC-HNNXBMFYSA-N 295.879 4.863 30 10 CJEE C=CC(C)(C)CNC/C(C)=C/c1ccccc1C(F)(F)F 1461511735 UAPWNQVCQKFMPA-JLHYYAGUSA-N 297.364 4.911 30 10 CJEE C=CCCc1ccccc1NC[C@@H]1CC[C@H]2C[C@@H]2C1 1462152614 XEGXKEUIORFOCH-PVAVHDDUSA-N 255.405 4.653 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 1477188293 IYHMGTUMLRAOTQ-GOEBONIOSA-N 286.419 4.666 30 10 CJEE C=CCCCNC(=O)C1(C2CCCCC2)CCCCC1 1531514825 BLFOGZUIGNQDCX-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C#CC[C@@H](NC(=O)CCCCCCCC)c1ccccc1 1534188026 RFGCUVXIWDPBHC-GOSISDBHSA-N 285.431 4.618 30 10 CJEE C=CCC1(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CCC1 1535857389 OTOITXGZQMCZCU-UHFFFAOYSA-N 298.213 4.987 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCCC(C)(C)C 1537944161 HSOHOXUAZUVOST-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C#Cc1ccc(NC(=O)C[C@@H](CC)C(C)(C)C)c(Cl)c1 1539130931 BMEZFZXOLVVLPX-CYBMUJFWSA-N 291.822 4.722 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(C)cc(C)c1)c1ccccc1 1583038624 VQPXASXCTXFXHM-IBGZPJMESA-N 293.410 4.741 30 10 CJEE C=CCCC[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 1596613183 QNSJGRSGYIIAAD-MRXNPFEDSA-N 299.458 4.882 30 10 CJEE Cc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614731185 QXMKQQCPNYJERQ-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE Cc1cc(F)ccc1C#Cc1cc(Cl)cc(Cl)c1 1614826546 AKBGYEQDULYVMC-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 1620697312 NMYJSJTVKPTIHF-ZBFHGGJFSA-N 297.364 4.582 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@H](C3CCC3)C2)c1 1628034018 OYGUGSOSHJEMTP-KRWDZBQOSA-N 298.430 4.764 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CCc2c(Cl)cccc21 1628035027 IYZDUFHORWDJLX-MRXNPFEDSA-N 290.790 4.639 30 10 CJEE C#CCCCCCCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 1644649550 GVOULCRCXQHGLS-AEFFLSMTSA-N 287.422 4.587 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2ccc(C)c3ccccc23)C1 1645066223 BDZFUDJWJHNFMQ-INIZCTEOSA-N 293.410 4.577 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 1653097941 ROVZAXGHWOBTTC-GJZGRUSLSA-N 290.407 4.770 30 10 CJEE C#CCCCCCCN1CCC(Cc2ccc(C)cc2)CC1 1653858996 DRLUHKZQFDZSHQ-UHFFFAOYSA-N 297.486 4.833 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)c1ccc(OC)cc1 1655045233 PGXIPSNXODCXOA-SZVBFZGTSA-N 287.447 4.523 30 10 CJEE C=CCCc1ccccc1N[C@H]1C[C@H](OC)C1(CC)CC 1657881922 CJVYPQOGTMUHGJ-ROUUACIJSA-N 287.447 4.811 30 10 CJEE CC(C)Cc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCC2)cc1 1658374859 GHAZEWVWXYGQGJ-DLBZAZTESA-N 298.474 4.661 30 10 CJEE C=CCCCCCCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 1659961039 KFPXLZQXNCHHNR-INIZCTEOSA-N 296.458 4.751 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cccc(OC(F)(F)F)c1 1660489322 FJZREXSJAKJQMB-CQSZACIVSA-N 299.336 4.516 30 10 CJEE C=CC[C@H](CC)NCc1ccc(C2CCCC2)cc1 1662324577 QLDRLXCJMNZMJN-SFHVURJKSA-N 257.421 4.789 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1665312920 RKFCABZKDVGITE-ZDUSSCGKSA-N 299.380 4.828 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCCC[C@H]2CC)CCCCC1 1666185254 BUIHWEBQOQBQPL-HZPDHXFCSA-N 292.467 4.533 30 10 CJEE C[C@@H](CC[C@@]1(C=O)CCCCC12CCC2)C(F)(F)F 1876108850 UQRNAXPFEFKSSQ-GXTWGEPZSA-N 276.342 4.895 30 10 CJEE CC(C)(C)C1(COc2cc(Cl)cc(C#N)c2)CCC1 1876749520 BKPASRAWXDNLGY-UHFFFAOYSA-N 277.795 4.807 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@H](CC)CCCC 1879342697 BBGPJRKIUYYVTK-SJORKVTESA-N 270.505 4.575 30 10 CJEE CC#CCCC[C@H](NCC)C(C)(C)C1CCCCC1 1879649843 FUWZIYDJMBELMS-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCCC[C@H]1CC 1879654778 ZQNPQFZFAPYXHS-KURKYZTESA-N 263.469 4.765 30 10 CJEE C=CCCCCCN1CC=C(c2ccccc2)CC1 1884237116 IOLMGQYOUNDMIH-UHFFFAOYSA-N 255.405 4.522 30 10 CJEE CC#CCCCC[C@@H](O)c1ccccc1C(C)(C)C 1885236088 JAXRIXCESAICIA-QGZVFWFLSA-N 258.405 4.601 30 10 CJEE C=CCCCC[C@]1(N)CCCC[C@H]1OCc1ccccc1 1885308064 ILFSTPJCVKHJLT-MOPGFXCFSA-N 287.447 4.590 30 10 CJEE CCCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CC1 1890754876 LNSMCFDDZAQRSH-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1C[C@@H]1C1CCCCC1 1898932655 MBCOBTQEWNTZPY-WOJBJXKFSA-N 283.459 4.891 30 10 CJEE CCCCCCCCN1CCCC[C@@H](CN=[N+]=[N-])C1 1912150534 VAIMZHKGMTVRGG-HNNXBMFYSA-N 266.433 4.759 30 10 CJEE C=CC[C@H](C)O[C@H]1CCCCCCCCCC[C@@H]1NC 1913337788 GOUULBSPVYKALB-BZSNNMDCSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1C[C@@H](C)N1 1913621588 TXGLYHGBBWVWBI-HZPDHXFCSA-N 267.457 4.617 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CCCc2sccc21 1919389185 DAPCCFONOPZKOR-KRWDZBQOSA-N 294.460 4.592 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C1=CCCCCCC1 1919406651 FANGKRJIZVCNOM-SFHVURJKSA-N 280.452 4.948 30 10 CJEE CC[C@](O)(CC#CC1CCCCC1)c1ccc(C)cc1 1919893556 RXDDOJGCJRKFPY-IBGZPJMESA-N 270.416 4.566 30 10 CJEE CO[C@@H](C[C@@]1(C#N)CCCC12CCC2)c1ccccc1 1921643140 ITWKMOGCFVCOOX-FUHWJXTLSA-N 269.388 4.628 30 10 CJEE C=C([C@H](O)c1cc2cc(F)ccc2s1)[Si](C)(C)C 1922979521 SMDUEJZLNNEPOD-AWEZNQCLSA-N 280.440 4.507 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](N)CC1CCCC1 1926604130 PFKAHERCXCVVHD-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCc1cccc(N=C2N[C@@H](CC3CCCC3)CS2)c1 1926660779 VTGWLCPSMZOGPZ-INIZCTEOSA-N 288.460 4.522 30 10 CJEE CC1(CN=C2N[C@H](CC3CCCC3)CS2)CCCCC1 1926668691 NLLFAWMFSZXFOS-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE CCCCCCCC(=O)c1nccc(C)c1Br 1926817446 DQMWSDXLNLPATO-UHFFFAOYSA-N 298.224 4.696 30 10 CJEE CCC[C@H](CS)COc1cccc2ccsc12 1941130822 AREGFLADGXQCHY-NSHDSACASA-N 266.431 4.626 30 10 CJEE CCCCCCCNC1C[C@H]2CCCCC[C@@H]2C1 1965860268 XMCWZSDRQLWTKL-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CCc1nc(Oc2ccc(Cl)c(C)c2)c(C#N)cc1C 1968329638 KYYVPQPZBFDZJP-UHFFFAOYSA-N 286.762 4.578 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC2(CCCCC2)C1 1969209250 RJQBJHPQPPRAMT-BBWFWOEESA-N 274.452 4.551 30 10 CJEE Cc1nsc(N[C@H]2CCCC3(CCCCC3)C2)c1C#N 1973842121 MSSLJBBFKKHAQZ-ZDUSSCGKSA-N 289.448 4.628 30 10 CJEE C=CCCCC[C@@H](O)c1cc(Cl)ccc1Cl 1984562184 XIPCFUQJYDYXSY-CYBMUJFWSA-N 259.176 4.773 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1ccc(C)c(Br)c1 1996465770 CZIDWFOCVXPTAI-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE CC#CC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2000328985 DGBCJOHXVJRDDZ-LLVKDONJSA-N 290.621 4.711 30 10 CJEE C=C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2000348091 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CCC[C@@]1(C)CSC(=N[C@@H](CC)C2CCCCC2)N1 2090408816 GBEGQDJFKAFKGY-HOCLYGCPSA-N 282.497 4.597 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1ccc(C)cc1Cl 2090888012 WEEIHNXJHONGLG-HNNXBMFYSA-N 282.811 4.553 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)c1ccsc1 2092188025 GRDUGWUUZIZFPL-JKSUJKDBSA-N 283.481 4.640 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](N)CC#CC2CCCCC2)C1 2093456323 AZKRGPQNSWVCCF-KBAYOESNSA-N 261.453 4.504 30 10 CJEE C=C1CCC(C[C@](N)(CCC)c2ccccc2)CC1 2098444280 PYXCXYHSQDJELL-GOSISDBHSA-N 257.421 4.777 30 10 CJEE CC(C)C(O)(C(C)C)[C@@]1(C#N)CCCC(C)(C)CC1 2100879667 JXPHFZGNMUHDAG-INIZCTEOSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCC[C@@H](NC)C1(COC)CC1 2101689395 PCSREXGFCRLBKI-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCC[C@H](C(=O)C=Cc2ccccc2)CC1 2103087826 XNYNWSFFXHMJHL-WBVHZDCISA-N 256.389 4.875 30 10 CJEE C=CCCCCCC(=O)c1ccc(OCC=C)cc1 2107721944 COWTZDSQQNVUDL-UHFFFAOYSA-N 258.361 4.571 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1CCC2(CCC2)CO1 2108191051 LAJIHOQENKRNKC-JKSUJKDBSA-N 266.425 4.511 30 10 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2188837453 PWCYKAVWQAOHSB-ZBFHGGJFSA-N 270.420 4.749 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2CC23CC(F)(F)C3)CC1 2189394657 JEUNLTPUXBYFBQ-LSDHHAIUSA-N 283.406 4.536 30 10 CJEE O=C[C@@]1(C2CC(c3ccccc3)C2)CCCC(F)(F)C1 2191368511 JXCAESDXYTVDJX-UYSNPLJNSA-N 278.342 4.575 30 10 CJEE O=C[C@]1(C2CC(c3ccccc3)C2)CCCCC12CC2 2191371587 YRKOMRPELRJNOU-TVPLGVNVSA-N 268.400 4.720 30 10 CJEE CN(CC1(C(C)(C)C)CCC1)c1cc(Cl)ccc1C#N 2191957825 LOGPGWVYIUCGPQ-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE C=CCOc1ccccc1CN[C@H](CC)CCCCC 2193574750 OTTXZVSOUQZKHI-QGZVFWFLSA-N 275.436 4.700 30 10 CJEE CC#CCCC[C@H](NCC)c1cc2cc(C)ccc2o1 2194060257 VSNRSIFIXONTIZ-INIZCTEOSA-N 269.388 4.585 30 10 CJEE C=C1CCC(CN(C)[C@@H]2C[C@H]3CCC[C@@](F)(C3)C2)CC1 2195960642 VCRDYQRDJFFKOL-KZNAEPCWSA-N 279.443 4.726 30 10 CJEE CC#CCCCC[C@@]1(CNCC(C)C)CCC(F)(F)C1 2196171164 GRNSYOYEXDTXJI-MRXNPFEDSA-N 285.422 4.621 30 10 CJEE CCCCCCCN(C)CCC(=O)c1cccc(Cl)c1 2196728955 WVXRFICDEGTVMK-UHFFFAOYSA-N 295.854 4.815 30 10 CJEE CCCCCCCCN(C)CC1(CN)CCCCCC1 2196738468 JBWPOSSIWMPMEX-UHFFFAOYSA-N 282.516 4.578 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(F)c(F)cc1Cl 2196857338 JSWQMOWDHPJKAL-BZNIZROVSA-N 299.792 4.708 30 10 CJEE C=C[C@@H](N[C@H](C)c1oc2ccccc2c1C)C1CCC1 2197826803 ZJSRVXILKKJCOF-CZUORRHYSA-N 269.388 4.747 30 10 CJEE CC(C)(C)C1CCC(C=O)([C@@H]2C[C@]2(C)C(F)(F)F)CC1 2199334043 GPGBWKMKQWJXAD-JANAKTCESA-N 290.369 4.997 30 10 CJEE Cc1ccc2sc(Nc3ccc(C)c(C#N)c3)nc2c1 2199370710 JDVYQCQALXMIJK-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H]1C1CCOCC1 2199988618 LJQDCICSGOUFIV-KSZLIROESA-N 282.468 4.551 30 10 CJEE CCC#CC[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCCC1 2200036667 XJGPZWLIGBVSNV-QRVBRYPASA-N 275.480 4.765 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2C[C@H]2c2ccccc2)C1 2200335260 UHSXKRABVNCXJE-MSOLQXFVSA-N 269.432 4.516 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=NCC2(C)CCCCCCC2)N1 2201220034 ZJRZIDQMOODXJU-CABCVRRESA-N 296.524 4.844 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=NCC2(CC(C)C)CCCC2)N1 2201221788 NTYWUWXTTSBZLY-GJZGRUSLSA-N 296.524 4.700 30 10 CJEE CCCCCC#CC[C@H](NCC)C(C)(C)CC(F)(F)F 2203829653 XNMIIIFHAICIKC-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CCCCCC#CC[C@H](NCCC)c1cc(C)oc1C 2203829695 XWADUHAGJOXRFC-SFHVURJKSA-N 275.436 4.911 30 10 CJEE CCCCCC#CC[C@H](NC)c1cc(Cl)c(F)cc1F 2203832396 IVROMFNRAUYAFV-INIZCTEOSA-N 299.792 4.853 30 10 CJEE CCCCCCCC[C@H](O)c1c(OC)ccc(F)c1F 2204404158 XQISZQHNBAKSIP-ZDUSSCGKSA-N 286.362 4.757 30 10 CJEE CCCCCCCCCC[C@H](N)c1ncn2ccsc12 2204523092 BFZXQHFVZWVXON-AWEZNQCLSA-N 293.480 4.926 30 10 CJEE C=CCC1(Nc2cc(Cl)c(C)cc2[N+](=O)[O-])CCCC1 2206596946 SEVLFWGHFVPBJK-UHFFFAOYSA-N 294.782 4.857 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H](O)c1sccc1C 2206899964 OVCQCYBYTWEMNX-CVEARBPZSA-N 295.492 4.595 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H](O)c1cc(C)cc(Cl)c1 2206901560 CTVVKXAGWYKKTO-IAGOWNOFSA-N 295.854 4.536 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CC[C@]12CCCO2 2207376534 JPTYIAIARUZIIJ-QZTJIDSGSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCCCOc1cccc(F)c1CO 2207404803 PFODAPVLJMOFSB-UHFFFAOYSA-N 280.383 4.614 30 10 CJEE C=CCCCCCCCCC(=O)C(C)(C)N1CCCC1 2207414307 NWEHIXVTWKSYID-UHFFFAOYSA-N 279.468 4.737 30 10 CJEE C=CCCCCCCCCO[C@H](C)C[C@@H]1CCCCN1 2207424851 JTIFFWONGKFDBM-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H](C)C1CCCC1 2207432553 QFLMBXHBMQHOGK-WMZOPIPTSA-N 280.500 4.951 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@@H](C)CC(C)C 2207446694 URXHCWQBOFURQD-OKZBNKHCSA-N 285.516 4.758 30 10 CJEE C=C[C@H](C)C[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2210143121 XEPSFMYUVYXOFW-CPCISQLKSA-N 279.594 4.892 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@]1(CC)CC1(F)F 2220086087 PTUUDJGNPLICBW-KGLIPLIRSA-N 259.384 4.666 30 10 CJEE CCCCCCCCCCCOC[C@@H](C)NCC 2223263153 DQQWBKLIORSSJH-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@H]1CCC[C@H](CC)CC1 2225417587 NLLBVXZWVQADRW-YESZJQIVSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)C1 2225691146 NGRHASFFCGOXBZ-BREBYQMCSA-N 296.197 4.606 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H]1CCCCC12CCCCC2 2226325378 BOXGRBRWKWOLDZ-DLBZAZTESA-N 261.453 4.517 30 10 CJEE C=CCCCCCCC[C@H](NN)C1CC(CCC)C1 2227276902 VFAZAQKXSODBGS-JCYILVPMSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCNC1C[C@@H]2CCC[C@H](C1)S2 2227277167 WPVQSHKVDADMRX-ALOPSCKCSA-N 281.509 4.919 30 10 CJEE CCCC[C@@H](C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227501720 OHDSDYZRCUMXCH-ZYHUDNBSSA-N 298.213 4.996 30 10 CJEE C[C@@H](CCS)CCOCc1ccc(C(F)(F)F)cc1 2231124276 VXYUYHPAVDTUIJ-LLVKDONJSA-N 292.366 4.568 30 10 CJEE CCCCCCCC[C@@]1(C)NC2(CCCC2)CCO1 2231853495 ATHHFWADJBVUEY-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCC1(C)CC1 2231924151 GCUCPMSPKFGQJG-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1 2233366431 OJLZNAUDCYLTOV-YPMHNXCESA-N 295.785 4.728 30 10 CJEE C=CC[C@@](C)(Nc1ccnc(C(C)(F)F)c1)C(F)(F)F 2234908727 GHYSCAIVUBWBBE-LLVKDONJSA-N 294.267 4.502 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccn(C2CCC2)n1 2235518108 CUZMFYGCMWISDS-MRXNPFEDSA-N 275.440 4.525 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1ccc(F)c(F)c1 2235524176 NQEYVEWDDCRWDH-HNNXBMFYSA-N 281.390 4.751 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccnn1C1CCC1 2235526515 LWPNPVOJICGKGD-MRXNPFEDSA-N 275.440 4.525 30 10 CJEE C=CCCCCCCC[C@H](O)C(C)(C)c1ccncc1 2235527768 YQABUSCJAWFMAO-KRWDZBQOSA-N 275.436 4.637 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](N)CC1CCCCC1 2235535857 QSZSCHPUCQSOCZ-KRWDZBQOSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1C[C@@H](OC(C)(C)C)C1 2235537530 CHTSCSNPGXCGJI-IXDOHACOSA-N 281.484 4.824 30 10 CJEE C=CCCCCCCCC(=O)[C@](O)(CCC)C1CCC1 2235537777 DYGRZUHKVFRTJM-SFHVURJKSA-N 280.452 4.804 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@@H]3CSC[C@@H](C3)C2)CC1 2236703789 AZRBQWMZDLBWER-IVSAIRAKSA-N 292.488 4.717 30 10 CJEE C=C1CCC(C[C@@H](O)C2(C)CC3(CC(F)(F)C3)C2)CC1 2238787288 VKHFIFFJKRYJSZ-CQSZACIVSA-N 284.390 4.699 30 10 CJEE CCCCCCCCCOCc1cccc(C(=O)O)c1 2239543736 RCTOEJDVAFLYSI-UHFFFAOYSA-N 278.392 4.652 30 10 CJEE CCCCCCCC[C@@H](C)NCc1c(C)ccnc1C 2240643896 CTHJEYWPMFSLKR-MRXNPFEDSA-N 276.468 4.927 30 10 CJEE CCCCCCCC[C@@H](C)Nc1ccc(OC)c(O)c1 2240646605 BDTUMFSYCBKFGB-CQSZACIVSA-N 279.424 4.952 30 10 CJEE O=C[C@]1(Cc2ccc3occc3c2)CCCCC12CC2 2241182843 YWDBVGKANHECJP-GOSISDBHSA-N 268.356 4.515 30 10 CJEE CCC[C@H](CC)[C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 2242040596 WRXKBAQDQGDDAP-KKUMJFAQSA-N 296.455 4.740 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1cccc(Cl)c1 2250145929 PQSGCRPMGZXPSJ-HNNXBMFYSA-N 251.801 4.650 30 10 CJEE CCCCCCC[C@H](O)c1ncc(C(C)(F)F)s1 2253536559 LBRQAKZUBXKXFC-JTQLQIEISA-N 277.380 4.649 30 10 CJEE C[C@H]1CC[C@](C#N)(CC2(C)CC(C(F)(F)F)C2)C1 2253689274 SWQASABKZDNLBQ-YWPUVAFDSA-N 259.315 4.685 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 2260228627 HSHCFSJASIMRFO-ZJUUUORDSA-N 290.209 4.995 30 10 CJEE C=CCCCCCCCCNCCC1[C@H](C)[C@H]1C 2260463068 NWZHOROEKXRRJX-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE N#C[C@@H]1CCC[C@@H]1SC1CC2(C1)CC1(CCC1)C2 2260959250 UKQXXNPCPYCQLB-JSGCOSHPSA-N 261.434 4.525 30 10 CJEE C=C1CC(CC[C@H]2CCCCC23CC3)(CNCC)C1 2264926755 YZDMKPMXIAPHKQ-MRXNPFEDSA-N 261.453 4.683 30 10 CJEE C=CCCCCCCCC(=O)c1nc(C)ccc1F 2264942737 XMJGKHMMZXJQML-UHFFFAOYSA-N 263.356 4.629 30 10 CJEE SC[C@H](COCC[C@@H]1CCCCC12CC2)C1CCC1 2264999696 SJCSCGLXYQZAIX-HOTGVXAUSA-N 282.493 4.710 30 10 CJEE C=C[C@@H](C)C[C@@H](N)CCC12CC3CC(CC(C3)C1)C2 2265122901 ANRJSNUUAFSNKR-JRHYKELJSA-N 261.453 4.523 30 10 CJEE C#CCCCCC[C@H](C[C@H]1CCCC12CC2)NCC 2266586479 DBUDKGDYZSYKGN-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(CCC)cc1 2268125090 IIXDMGBKSPJJBM-GOSISDBHSA-N 262.437 4.903 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C(CC)CC 2268741585 IPDXOQXIOVWHHL-KRWDZBQOSA-N 263.469 4.787 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(SC)s1 2268745305 HUSFGKJOABWFPZ-ZDUSSCGKSA-N 293.501 4.726 30 10 CJEE CC1(C)CC[C@@]1(C#N)CCCCCCCCCCO 2271232206 SYVQTVBFUBRHEU-QGZVFWFLSA-N 265.441 4.820 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCCC(F)(F)C1 2271834846 KKSCNSOMHWFAJZ-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1ccc2ccccc2c1 2273026381 MTTOLIDVGWOWJR-LSDHHAIUSA-N 253.389 4.703 30 10 CJEE O=C[C@]1(C[C@@]23CCCC[C@@H]2CC3)CCCC(F)(F)C1 2273406539 YBTKRXAWMMNHGA-ILXRZTDVSA-N 270.363 4.742 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)CCC(C)(C)C 2274121424 MEWMOCWXNYKAPO-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)CC#CC2CCCC2)CC1 2274132976 UTHMTNZOMPITLP-BPQIPLTHSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C(C)=C(C)C 2275490758 XROXLAVELYJZKG-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1sccc1C 2276478563 RGEQQWNBTQZUHL-OAHLLOKOSA-N 283.481 4.824 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(SC)s1 2276520128 IMIPWWIFSQKSHT-ZDUSSCGKSA-N 299.505 4.623 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1=CCCCC1 2277188281 XUPVRYCPJCFZGL-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)SC)OCCN 2277357672 BOFQSJDCQZHXGY-OAHLLOKOSA-N 289.529 4.613 30 10 CJEE CC1CC2(C1)CC(CN(C)CCCCCCCS)C2 2277500083 HVJAJSUGJVUAEW-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CCCCCCC[C@H](NCC)c1nc(C)ccc1F 2279630389 BBPFQKMCNAOFGO-INIZCTEOSA-N 278.415 4.706 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1ccccc1OC(F)F 2282927504 KMHANSJXYRJBNM-MRXNPFEDSA-N 279.330 4.551 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC1=CCCCC1 2284185345 PDQKWJVKNYMDFN-SFHVURJKSA-N 273.464 4.851 30 10 CJEE C=CCCCCCCCSCc1ccc(C(=O)O)nc1 2287078248 ZIKSIMVEBFIQDU-UHFFFAOYSA-N 293.432 4.540 30 10 CJEE C=C(C)CCCCN1CCC[C@@H]1c1cccc(OC)c1 2287467993 QZOMSSIHPNYTJT-GOSISDBHSA-N 273.420 4.579 30 10 CJEE CCC[C@](C=O)(CC)CN(CCC(C)C)C1CCCC1 2287673979 OZSHDGKMVRSWAP-GOSISDBHSA-N 281.484 4.673 30 10 CJEE CCN[C@@H](C#CC1CCCC1)[C@H]1CCCC(C)(C)CC1 2289709824 GIKVJKLENXTGQE-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CN[C@@H](CC#CC1CCCC1)[C@@H]1CCCC(C)(C)CC1 2289880536 IPQUXPKAEBPYMZ-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)C2CC(CC(C)(C)C)C2)C1 2289941266 URNWMVJCPYDLAE-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@]1(C)C[C@H]1C 2290572543 XAPFGIOZUAAJSN-VYDXJSESSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCC[C@@](C)(CC=C)OCC(=O)O 2291258950 BTWIEALSLCDZLE-QGZVFWFLSA-N 282.424 4.729 30 10 CJEE C=C(C)CCCC[C@H](OCCC(=O)O)c1cc(C)cs1 2291764835 BFLJVHBKKLRGME-AWEZNQCLSA-N 296.432 4.725 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1ccc(CC)s1 2292769938 ONGOBNKXJWCKFR-MRXNPFEDSA-N 295.492 4.854 30 10 CJEE C#CC[C@H](C)C[C@](C)(CCCCCCCC)OCCN 2292906468 PNGNFNCLMUUNJT-ROUUACIJSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@](C)(CC[C@@H](C)C(F)F)OCCN 2293148134 NFUWZXQALADVQX-GDBMZVCRSA-N 293.442 4.762 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1csc(C)c1C 2293897797 FMSHXHZEQOOWHT-KRWDZBQOSA-N 295.492 4.908 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccc(C)s1 2295688222 CMVHCOFVOLELRK-SJORKVTESA-N 297.508 4.948 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccccc1Br 2298829140 VVROTDOHCXKRBB-GFCCVEGCSA-N 294.236 4.621 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(Cl)ccc1Cl 2301012559 HAOCDHNGLIZJRK-UHFFFAOYSA-N 269.171 4.945 30 10 CJEE Cc1ccc(C(=O)C=Cc2cnc(C3CCCC3)s2)o1 2301064414 OCEDNNGEDSRILT-UHFFFAOYSA-N 287.384 4.598 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2306216698 IYBWQFXZKVBQHD-CYBMUJFWSA-N 276.182 4.749 30 10 CJEE FC1(F)C[C@]1(CS)CSCc1ccc(Cl)cc1 2306941278 ONDABMFSHHONHK-NSHDSACASA-N 294.819 4.528 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCC(F)(F)CC1 2312942482 PDALDUADRISRFW-AGIUHOORSA-N 253.336 4.532 30 10 CJEE C=CCC(CC=C)Sc1ccccc1[C@@H](N)CC 2313689448 PEINLLJZAPOKHM-HNNXBMFYSA-N 261.434 4.709 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1C[C@@H](SC)C1 2314185680 CTLTVYBOJBABHG-OWCLPIDISA-N 270.482 4.796 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1N 2315442445 UEIUZFZIBJJUBP-TVQRCGJNSA-N 285.218 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@H]1C[C@H]1C)NCC 2321103494 ZTJVQBRJMJUXRC-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CCC(F)(F)CC)NCCC 2321107536 HEYZGOCUEGMABA-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1ccc(Cl)c(Cl)c1 2321226343 WGHMLPOUSHEMRP-CABCVRRESA-N 287.230 4.889 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C1=CC[C@@H](C(C)C)CC1 2321238201 UIDBUHNVLFEGNS-OIISXLGYSA-N 250.426 4.722 30 10 CJEE CC1(C)CCC[C@]1(C=O)CCC1(C(F)(F)F)CC1 2321659957 RQDVDDWXWBMPTL-CYBMUJFWSA-N 262.315 4.505 30 10 CJEE CCCCCCCC[C@H](O)C[C@@](C)(F)C(C)(C)F 2327949435 LJXGWISBPRLXQF-DZGCQCFKSA-N 264.400 4.964 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc(C)cc1C 2330459191 UFVNIPGGLDZORE-UHFFFAOYSA-N 287.790 4.898 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 2333706300 JYPDQNNLEHLBEP-TZNCUMHOSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCS[C@@H]1[C@@H](N)C[C@@H]2CCC[C@@H]21 2334654542 SAVKFQBTCFPNET-QAETUUGQSA-N 281.509 4.762 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@@H]1NC 2335096558 OGKIDXFZSSUIKW-HYVNUMGLSA-N 281.509 4.797 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC[C@@]1(C)CCCCC1(F)F 2337062360 MQVCJKZULGYQDW-RRFJBIMHSA-N 271.395 4.536 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1CCC[C@H](C(C)(C)C)C1 2337073361 VOEGNVVDPYYYPA-LUKYLMHMSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H](CNC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2 2339086756 ONHMTLFNDOSOAR-VVLHAWIVSA-N 261.453 4.537 30 10 CJEE CCCCCC#CCNCc1ccc(Cl)c(Cl)c1C 2339110343 FHEMGXMDXHAJLX-UHFFFAOYSA-N 298.257 4.975 30 10 CJEE Cc1c([C@H](O)[C@@]2(C#N)CCC[C@H]2C)ccc(Cl)c1Cl 2340455366 XWEAALMBZVCMIX-TURNYIBQSA-N 298.213 4.665 30 10 CJEE CC(C)c1ncccc1C(=O)C1=CCC(C)(C)CC1 2342159260 UEDOEAYFFVIFSZ-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC(C)=C(C)C1)NN 2343436453 GOSYLNRJMZBYTG-DLBZAZTESA-N 266.473 4.705 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C=O)CCCC(F)(F)C2)CC1 2343464016 GHKUCZDZVLEVAB-CABCVRRESA-N 270.363 4.908 30 10 CJEE CC#CCC[C@H](NCCC)c1cccc(C(C)C)c1 2343620107 ZVPIEPRDUILQDV-SFHVURJKSA-N 257.421 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)c(C)cc1C 2344383587 JAZGCWCXYHNNDS-ROUUACIJSA-N 259.437 4.865 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CC12CCCCC2)NCC 2344384236 VRZBDNQNMLZASH-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2352745335 OZJBEERAUDMSHV-YIYPIFLZSA-N 276.342 4.751 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@]12CCOC[C@@H]1C2 2357377557 YGIIFZWZCJTHHW-KSZLIROESA-N 282.468 4.695 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C[C@H]1OCC[C@H]1C 2358323223 GUJFWSKMUKQYDI-KZNAEPCWSA-N 281.484 4.826 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2OC[C@@H]3CCCC[C@@H]32)CC1 2358520560 XOBBNBNFRMXTMW-HRCADAONSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1CC 2360082954 IXAMPTCDFGTLTE-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccccc1F)[C@@H](N)CC 2360198571 KUEUEHBHGZIKNV-DLBZAZTESA-N 293.451 4.858 30 10 CJEE C=CCC(CC=C)SCc1ccc([C@@H](C)C(=O)O)cc1 2360200056 FBECLINIZBXQFM-CYBMUJFWSA-N 290.428 4.629 30 10 CJEE CC[C@H](C)c1ccccc1Oc1ccccc1C#N 21012794 LAFYKJFWFBQPJC-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE Cc1ccc(/C=C2\Sc3ccccc3C2=O)c(C)c1C 33304778 JGWLFPUDWZBTEU-YVLHZVERSA-N 280.392 4.941 30 10 CJEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(Cl)s1 33319162 VVMIXXIFGRLEMY-JPDBVBESSA-N 274.772 4.697 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Nc2ccccc2F)cc1 37938982 OQWVYZBGPWECEC-QGZVFWFLSA-N 268.335 4.626 30 10 CJEE COc1ccc([C@@H](C#N)CCCCOc2ccccc2)cc1 57689774 OJEPQEPOLNIEIZ-QGZVFWFLSA-N 295.382 4.552 30 10 CJEE Cc1cccc(OCC[C@H](C#N)c2cc(C)ccc2C)c1 57695095 CXTVHAHBPFFEKC-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE CCc1cc([C@H](C#N)Cc2ccc(Cl)cc2)ccc1OC 57723871 USEVBPSUHQIUKU-INIZCTEOSA-N 299.801 4.761 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccccc1OCC 59207864 FPEVIPYGAIBJOY-UHFFFAOYSA-N 290.403 4.588 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 68618517 RVLKRUIVZPFHEJ-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE C=CCCC[C@H](NCCC)c1ccccc1Br 71276934 PGDLNEWUAQVCQA-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCC1CCC(C#N)(Cc2cccc(F)c2)CC1 87959430 MSTVDMPYBNWRMI-UHFFFAOYSA-N 259.368 4.868 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2Cc3cc(F)ccc3O2)C1 90896371 TXSHARURVQJWPF-RPVQJOFSSA-N 287.378 4.629 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(C)sc2C)C1 91884132 LJDYWBUTDICJPW-FVQBIDKESA-N 277.433 4.509 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@@H]1CCSC1CCCCC1 93580920 SGACXSXBQMPJIA-NVXWUHKLSA-N 294.508 4.504 30 10 CJEE SC[C@@H](COCc1cccc(Cl)c1)c1ccccc1 94585883 QNJLSDLCKPYLOY-OAHLLOKOSA-N 292.831 4.570 30 10 CJEE CCCCCCCCNC(=O)CCC1CCCCC1 105190239 QXQWKOUUIJYIDO-UHFFFAOYSA-N 267.457 4.824 30 10 CJEE CCC#CC[C@H](C)c1cc(OCC)c(OCC)cc1F 107488598 WMZXQYCUZIIRFO-ZDUSSCGKSA-N 278.367 4.530 30 10 CJEE CCCCCCCCCCN(CCCN)c1ccccc1 110104800 QRSBHHGMDVROBL-UHFFFAOYSA-N 290.495 4.983 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1Cl)C1CCCCC1 110258200 UFVWYHXTBNPNKL-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NCC[C@@H]1C 114078812 JFIFFDCMSFJMIE-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 114874694 PPHOCNQQEYMTTJ-MJBXVCDLSA-N 250.382 4.797 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](C)c1ccncc1 117684589 IAJDVHSUUBHKCN-DOTOQJQBSA-N 262.441 4.524 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(CC)cc1 125460119 FVJRORKNXMTRPP-GOSISDBHSA-N 276.468 4.894 30 10 CJEE CCCCCCCCC[C@@]1(CNC2CC2)CCO[C@@H]1C 125575996 QCYKDWAKORWYSR-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(C)c1 125587879 RSPXZFSLLKPYFW-QGZVFWFLSA-N 262.441 4.640 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(C)CCCCO1 126978985 OIXDLUJGGBWYOK-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCCCCCCCC[C@]1(O)CCc2cc(N)ccc21 131820947 KAFNFTBMDUQUSR-SFHVURJKSA-N 275.436 4.543 30 10 CJEE CCCCCCCC[C@H](O)CCOc1cccc(C)c1 135385361 UUPXGUYLBCVJNG-KRWDZBQOSA-N 278.436 4.875 30 10 CJEE CCSc1cccc(N(C)C2CCC(C)CC2)c1C#N 136635806 GUTZDDYESOMBHA-UHFFFAOYSA-N 288.460 4.685 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CCCCO1 157907886 IALNXLWFUFZIKG-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE N#Cc1ccccc1Sc1ccc(O)c2ccccc12 163442780 VNEQRVSXSIXUOX-UHFFFAOYSA-N 277.348 4.568 30 10 CJEE N#Cc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1 230215861 AOYUCPBMJNMSEK-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCC[C@H]1CNc2ccc([N+](=O)[O-])cc21 232929782 IYTMXQHKKNMNTO-ZDUSSCGKSA-N 276.380 4.855 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(C)cc1Cl 232943826 DFXUCBJRSOBLHF-OAHLLOKOSA-N 267.844 4.879 30 10 CJEE C=CCCCCC[C@@H](Cc1ccsc1)NCCC 233124313 GRPMZCVPKCAUJW-INIZCTEOSA-N 265.466 4.795 30 10 CJEE CCC[C@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 233344173 RJCRXNOVHURRGH-GWCFXTLKSA-N 255.283 4.749 30 10 CJEE C=CCCCCCOc1cc(C)ccc1[C@H](C)NCC 233529587 ITQDEWGOBFGVGU-INIZCTEOSA-N 275.436 4.791 30 10 CJEE C=CCCCCC[C@H](CCc1ccc(C)cc1)NC 234447699 AHTMXYYINKFULI-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(SC)cc1 235119542 QYKLXMKOAMGWTF-HNNXBMFYSA-N 250.407 4.578 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1C#N 250835882 UUSGDTJPNMJELH-HRCADAONSA-N 251.414 4.692 30 10 CJEE CC(C)(C)C#CCC(=O)c1ccc(Cl)c(Cl)c1 304128446 RBVRZVWDYHXDJI-UHFFFAOYSA-N 269.171 4.616 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2snc3ccccc23)C1 311335635 IGRLIDHTJHLQKV-BLLLJJGKSA-N 270.401 4.658 30 10 CJEE C=C([C@H](NCCC)c1cc(C)cc(Cl)c1)C(F)(F)F 311407766 YASJJPZLLRQWQU-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CNC[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1CC#CC(C)(C)C 312208217 MPNDXWJWRXKJJJ-IXDOHACOSA-N 277.496 4.724 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H](C)C2CCCCC2)C1 316615159 KEEMJMODLBBIDV-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CCC(F)(F)C2)CC1 317392913 YPVOZUOLYMHPKI-NFOMZHRRSA-N 272.379 4.843 30 10 CJEE C=CCCCCC[C@]1(CNCC(C)C)CCCS1 318457158 CNFFIUWLRJVURU-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=CCC(C)(C)CN[C@@H](CC)c1ccc(Cl)cc1 380917358 BQLPOODAPQOQFM-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE N#CC1(c2ncc(Cl)cc2Cl)CCCCCC1 383670472 OAUYMMGIULCCCY-UHFFFAOYSA-N 269.175 4.504 30 10 CJEE Cc1cc(Cl)cc(C(=O)[C@@H](CC#N)c2ccccc2)c1 395105069 KRDIETKHHUHLSV-INIZCTEOSA-N 283.758 4.529 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1 395288855 FATNPHOOGLCWLW-ZDUSSCGKSA-N 294.508 4.564 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cc(F)c(F)cc21 398220479 CCPRTOHOYBYMLE-VIFPVBQESA-N 282.359 4.521 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1CCOC1)NC 400956506 HLHZWJJEMIZLIH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@@H](N)C1CCSCC1 401906772 ORVZQHPREOLWRT-MRXNPFEDSA-N 271.514 4.988 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403603390 HDNSMJYOFIHRGS-NCOADZHNSA-N 252.442 4.924 30 10 CJEE 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CC(C)NC[C@H]1CCCC[C@H]1CC#CC1CCCCC1 2149863570 CABLLOZFSYKPRL-RBUKOAKNSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H]1CC[C@@H](F)C1 2150334061 VYVPPCHCDOFEIJ-XHSDSOJGSA-N 286.431 4.585 30 10 CJEE C=C([C@H](NCC)c1cccc(C(F)(F)F)c1)C(C)(C)C 2152922531 AVQLKHJUZWCZRI-AWEZNQCLSA-N 285.353 4.958 30 10 CJEE CCCCCCCC[C@@H](NC)C1(O)CCCCCCC1 2153091215 ZKGCFFFQDOQRAA-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCC(F)(F)CC1 2155793575 AGELUQYSUORFNN-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCCCC[C@H](N)C12CC(C)(C1)O[C@H]2C 2156692181 ZUGUWAXNELBTNQ-VYMRPNJYSA-N 281.484 4.802 30 10 CJEE CCCC1([C@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)CCC1 2157114328 WIHJQGIKEXEYRL-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](C[C@H]1COC(C)(C)C1)NCC 2159335337 KIDPHOGVQGVKLZ-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCC1(CC)CSC(=N[C@H]2CCC[C@H](C(C)C)CC2)N1 2159442985 WCNYUPJBCHRAHR-GJZGRUSLSA-N 296.524 4.843 30 10 CJEE C[C@@H]1CCC[C@@H](CN=C2NC[C@@H](C(C)(C)C)CS2)CC1 2159517896 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CCCCCCCCCCC(=O)[C@@]1(O)C=CCC[C@@H]1C 2175748288 YMIVKWJZKFLTIA-FUHWJXTLSA-N 280.452 4.804 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@]1(O)CCCC(C)=C1C 2175777307 CHKHDSGDQBEEDW-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE Cc1ccc(C#N)c(NCC2(C)CCC(C)(C)CC2)c1 2176596591 GKSIBMDTUSOXHR-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CC(C)C[C@H]1CC[C@@H]1N(C)c1cc(Cl)c(C#N)cc1F 2177388638 NYSPCSHRQCHQJA-ABAIWWIYSA-N 294.801 4.612 30 10 CJEE CCOc1ccccc1Oc1cc(Cl)c(C#N)cc1F 2177390317 VMEXETHXPBMQGX-UHFFFAOYSA-N 291.709 4.542 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cc(F)c(F)c(F)c2F)CC1 2181642120 PEPLKEDRRSGALU-MRVPVSSYSA-N 286.268 4.562 30 10 CJEE CC1(C)CC=C(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 2181668777 MFZVIXPDXPAQJS-UHFFFAOYSA-N 272.432 4.908 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C=CCCN1 2182421170 DELZXUPLMXGFOH-KRWDZBQOSA-N 279.468 4.785 30 10 CJEE C=C(F)C[C@H](NCCC)c1ccc(C(F)(F)F)cc1F 2182512073 KNUOINHCIOXGHB-ZDUSSCGKSA-N 293.279 4.759 30 10 CJEE C#CCCCCC[C@@H](NCCC)C(F)(F)C1CCCC1 2185240295 XXUYQCANMNIXLL-MRXNPFEDSA-N 285.422 4.764 30 10 CJEE CCCCCCCCCC[C@]1(N)CO[C@@H](C(F)(F)F)C1 2185576888 APRFSTXNQRERHJ-ZIAGYGMSSA-N 295.389 4.566 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1CC[C@H]1OC)NC 2186890191 ORTZMAFFRVFESH-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](C)CC2CCCCC2)c1 2188846705 LKPGWNACGKRDJH-AWEZNQCLSA-N 270.420 4.891 30 10 CJEE C=CCOc1ccccc1[C@@H](O)CC(C(C)C)C(C)C 2189104545 KAZLLRQLZFUEIC-KRWDZBQOSA-N 276.420 4.603 30 10 CJEE C=CC1(CN[C@H](c2ccccc2)C2CC2)CCCCC1 2189513027 RQFMFJZYUXGWOH-GOSISDBHSA-N 269.432 4.864 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H]1CC12CCC2)NN 2189529364 ROJNNSUXYZKLDA-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)CCC2CC1C2 2189656490 QVSXNKIWNQTAQI-HTWSVDAQSA-N 280.452 4.637 30 10 CJEE CCCCCCCCCCCCN(C)C1(CCO)CC1 2190074636 CVVWRPULFAORHN-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE C=CCC[C@H](C)N(C)c1ccc([C@H](CC)NCC)cc1 2190861954 PIFPTPFEGWMNJX-YJBOKZPZSA-N 274.452 4.538 30 10 CJEE CCCCCCCCC(=O)Cc1cccc(COC)c1 2191369915 YNTGHGFPXALBJJ-UHFFFAOYSA-N 276.420 4.695 30 10 CJEE Cc1cccc(Sc2nc(C(C)(C)C)ccc2C#N)c1 2192041385 VPLPJQNHWNUFIF-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(C(C)(C)C)nc2)C1 2192109382 GEUJAQXNRMBVGQ-RDTXWAMCSA-N 270.420 4.642 30 10 CJEE CCCCCCCCCC[C@]1(O)CNC12CCCCC2 2192250361 DNWOFQMCDSKOKT-SFHVURJKSA-N 281.484 4.554 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)CC1CC2(C1)C(F)(F)C21CCC1 2195067077 BBDZXCUVUNJKNH-ILTLLKDXSA-N 279.374 4.922 30 10 CJEE CCCCCCCCCCCCN(C)Cc1csnn1 2195920093 HTOJDITTZOKFCN-UHFFFAOYSA-N 297.512 4.891 30 10 CJEE CC#CCCCC[C@@]1(CNCCC)CCCC12CCC2 2196171565 KSHCXUHZMBOJKK-IBGZPJMESA-N 275.480 4.910 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@H]1C(C)=CCC[C@H]1C 2196176121 DTLWOBRRIYFJFJ-QYZOEREBSA-N 275.480 4.931 30 10 CJEE CCCCCCCN(C)[C@@H](c1ccc(Cl)cc1)[C@@H](C)N 2196729411 ONGRYHZBGUMADG-RHSMWYFYSA-N 296.886 4.631 30 10 CJEE CCCCCCCN(C)[C@@H]1c2ccccc2NC[C@@H]1C 2196733307 CYRQCNZMIJLRDQ-YJBOKZPZSA-N 274.452 4.692 30 10 CJEE CCCCCCCCN(C)[C@]1(CN)CCC[C@H](CC)C1 2196737007 ODVVVENXDXWMKJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H]1CCCCC1(F)F 2197148447 PFBRAVQNXSTBLE-HOTGVXAUSA-N 279.374 4.503 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H]2C[C@@H]2C2CCCC2)CCC1 2200047114 GNLJUJDXLCAOPE-SQNIBIBYSA-N 275.480 4.927 30 10 CJEE C=C([C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCC1)C(F)(F)F 2200049690 AQXOLGBHGAGVPK-KFWWJZLASA-N 289.385 4.690 30 10 CJEE N#CC1(COC[C@H]2C[C@@H]2C2CCCCCC2)CCCC1 2200738435 POJWMQWFCKHPOW-IAGOWNOFSA-N 275.436 4.693 30 10 CJEE CCCCCCCC[C@H](C[C@]12CO[C@](C)(C1)C2)NCC 2202740967 LVELVHHERBVMDY-KURKYZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCOC[C@H](NC)[C@]12CCCC[C@H]1C2 2203766692 PDVACFPORXGPJR-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCCC#CC[C@@]1(CNCC(C)C)CCS[C@@H](C)C1 2203806669 FYPUUKNYWQRVIL-ZWKOTPCHSA-N 295.536 4.718 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccc(Cl)c(OC)c1 2203831683 FSAIEXLRSHRJFD-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)CCC[C@@H]2N 2206894146 HOXCLVKSJNZDOF-SFHVURJKSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCCCN1CCc2ccccc2C1 2207375661 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CPZGTDYMHZYNNB-FCGDIQPGSA-N 275.480 4.927 30 10 CJEE CCCCCCCCO[C@H]1[C@@H](NCC)C[C@@H]2CCC[C@@H]21 2354730401 SHZKDEJZBCCCEO-XLAORIBOSA-N 281.484 4.530 30 10 CJEE N#C[C@@H](C(=O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)c1cccs1 2354888061 REWCNPABHYRRGZ-BYNSBNAKSA-N 287.428 4.531 30 10 CJEE C=C[C@@](C)(C[C@@H]1C[C@H]1C1CCCCCC1)C(=O)OCC 2357738853 XOXYAQIAQQFCJT-BQFCYCMXSA-N 278.436 4.738 30 10 CJEE C[C@H]1C[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCCCC2)CCO1 2357826993 SJLFKFRGXBBMLK-LEUOFYLZSA-N 275.436 4.692 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2OC[C@@H]3CCC[C@@H]32)CC1 2358522374 JPAWMRFMZDLZTB-NNCLKIPCSA-N 275.436 4.548 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 37089171 LCPVNYKJIDLRAX-WBHUJUFNSA-N 288.410 4.879 30 10 CJEE CCc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 37333929 JVNMZTXHLZDEFJ-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2C)C1 37665776 IVUFKQJRXRGHSA-IJEWVQPXSA-N 259.418 4.806 30 10 CJEE N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 52902454 SKDUJYHQAICYLE-NSHDSACASA-N 296.178 4.545 30 10 CJEE CCCc1ccccc1N[C@H]1CCCCC[C@@H]1C#N 54827179 ZSJFOVGTWCMTCH-WBVHZDCISA-N 256.393 4.523 30 10 CJEE C[C@@H](c1ccccc1)[C@H](C#N)c1ccccc1Cl 57746137 ZXJRAAVBVBHVGX-WFASDCNBSA-N 255.748 4.751 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)OC)c1C 59451537 FVIFNKAZABURTG-CQSZACIVSA-N 291.435 4.943 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(NC(=O)NC)cc1 59474444 ZEJNRSAAPOLMMX-AWEZNQCLSA-N 291.439 4.599 30 10 CJEE CCCc1oc(-c2cc3ccccc3o2)cc1CC#N 77082381 MXBRIZLHOBXEOP-UHFFFAOYSA-N 265.312 4.711 30 10 CJEE CC(C)(C)c1nc(C2CCCCC2)sc1CS 82440251 HGPKORFUIYHKHV-UHFFFAOYSA-N 269.479 4.918 30 10 CJEE CC(C)(CS)COc1c(Cl)cc(Cl)cc1Cl 87077878 KHOYWJMOIWERBN-UHFFFAOYSA-N 299.650 4.982 30 10 CJEE CCCCCC[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N 94335111 UVHPVVAQTICXKQ-LLVKDONJSA-N 299.340 4.743 30 10 CJEE CCC[C@H](CS)COc1ccc2ccccc2c1 94583107 QDKIPZKAOONACW-ZDUSSCGKSA-N 260.402 4.565 30 10 CJEE CCCC(CS)(CCC)CSc1nc(C)cc(C)n1 94589399 HNOUXPZBFOOXSA-UHFFFAOYSA-N 298.521 4.702 30 10 CJEE SCC1(CSc2ccc(Cl)cn2)CCCCC1 94589690 LWJNLTHNMVDTGE-UHFFFAOYSA-N 287.881 4.707 30 10 CJEE SC[C@H](CSc1cc2ccccc2[nH]1)c1ccccc1 94631072 VHBJNOHHUUHOGZ-OAHLLOKOSA-N 299.464 4.974 30 10 CJEE O=C(/C=C\c1ccc(Br)cc1)C1CCCCC1 97995213 AXTWBKHTGVGGMB-FLIBITNWSA-N 293.204 4.612 30 10 CJEE CCCCCCCNCc1ccccc1OC(C)C 100027366 WQEYTODTQOPVBB-UHFFFAOYSA-N 263.425 4.534 30 10 CJEE CC#CC[C@@H](C)c1cc(OCC)c(OCC)cc1Cl 107678342 RAAPPIXBMRUHKE-GFCCVEGCSA-N 280.795 4.654 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)s1)[C@H](C)N 109988745 UQJMDJSMKFLOHL-HOCLYGCPSA-N 283.481 4.822 30 10 CJEE CCC(C)(C)c1ccc(OCC=O)c(C(C)(C)CC)c1 110403484 KXWVGLIPSLEHBM-UHFFFAOYSA-N 276.420 4.640 30 10 CJEE CCCCCCCCCN[C@H](C)Cc1ccco1 110448992 VNNGLGBUHGPDII-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCCCCCCCOc1cc(OC(C)C)c(F)cc1N 110642512 ZEAHGLPFCUEBRV-UHFFFAOYSA-N 297.414 4.934 30 10 CJEE CCCCCCCCCC[C@@H](CCCOC)NC 114842141 VJYUEQWSNXHJPR-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCCC[C@@H](N)C(=O)OC(C)(C)C 117842826 XNHKSUYENTXDPR-MRXNPFEDSA-N 299.499 4.966 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2ccc(F)cc2O1 122033722 SMHHIKJCQBMOGV-NVXWUHKLSA-N 280.383 4.761 30 10 CJEE CCCCCCCC[C@@H](CCc1ccccc1C)NN 122360572 SYLGDTBODSQNJE-SFHVURJKSA-N 276.468 4.510 30 10 CJEE CCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 122542818 PIOKXXFQEUKKCI-LBPRGKRZSA-N 275.223 4.749 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]1(C)CCCO1 123624358 NZYWWIZDHNWDAB-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCNCc1scnc1C 124783040 KFHMBKAQVMVQEG-UHFFFAOYSA-N 268.470 4.682 30 10 CJEE Cc1cc(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1C#N 126902275 IXDVOWYTOZQAAQ-XWIAVFTESA-N 271.404 4.706 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1CCCCS1 130175498 UBVVKYXDTSKEHF-HZPDHXFCSA-N 286.529 4.635 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCC[C@@H](N)C1 131792544 IYUNULJLJMWFIX-QZTJIDSGSA-N 283.500 4.930 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(C)c1)c1cccs1 132644469 RRVMLVZPUQYDKQ-OAHLLOKOSA-N 270.401 4.882 30 10 CJEE CCCCCCCCCCN[C@H](C)CSCC 135387528 DBABSKUSUZDHMR-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CSc1cccc(Nc2cccc3ncccc23)c1C#N 136607407 TVDMOQGNZIYKTF-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CCCCCCCC[C@H](NCC)c1csc(C)n1 140318882 FRKJBAABVHPCAJ-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCCCCCNCC(C)(C)OC 160244481 YUIQPCZRRVKURZ-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 168240570 QVBRAJWKDMUNQO-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(N)c1ccccc1 168625702 VAAYTAAGMRWLKW-IBGZPJMESA-N 289.463 4.960 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccccc1C(F)(F)F 203462702 JTAHQHUZIQJRPA-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCC[C@@H](CC)COc1ccccc1/C(CC)=N/O 215132183 JEVSWMAZZIADDM-ZFDMEJTGSA-N 277.408 4.870 30 10 CJEE CCCCCCCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 216315013 RGBQNIHNHYTZOR-HLLBOEOZSA-N 251.458 4.761 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C#N)cc1F 217865094 BHNKZNNUKNSCGH-JDFRZJQESA-N 275.367 4.537 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cccc2ccccc12 228817862 KFXFCXDDKFWYLU-GJZGRUSLSA-N 253.389 4.845 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@H]2CCCc3ccccc32)CC1 235378204 MTGWBMAHFBRPLG-WMLDXEAASA-N 268.400 4.812 30 10 CJEE CCCCCCCCN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250819644 KOYZQCLAHXSWMK-QAETUUGQSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 252908240 XVSFCEMCURGZAZ-ATIWLJMLSA-N 284.484 4.938 30 10 CJEE CC[C@@H](C#N)c1csc(-c2coc3ccccc23)n1 259309103 NNNHARNKMYVJTF-JTQLQIEISA-N 268.341 4.573 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCOC[C@@H]1C 305948233 HYQAHXFAXQONAI-HOTGVXAUSA-N 268.441 4.759 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CCCC(F)(F)C2)C1 306040306 TXUSTNZELHQMDX-MCIONIFRSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCNC(C)(C)CN1CCCC1 308628187 OULQSUVSSZRDTE-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE C=CCCCCCCNc1nc(C2CC2)nc(Cl)c1C 312507663 YZNRSANNZMCSTO-UHFFFAOYSA-N 293.842 4.864 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1cn(C)cn1 312509397 LNHRTBTWPKFNEH-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCNCc1ccsc1Cl 312555731 HZOJYVMKNSCDQA-UHFFFAOYSA-N 259.846 4.852 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)C[C@@H](C)C1CCCCC1 316858013 VDNVLJQAOKZESL-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE C=CCCCCCOc1cccc(CNCCC)c1Cl 328280564 RVAWQUSRXZTATG-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE CCNC[C@@H]1CC[C@@H](C(C)C)C[C@H]1CC#CC(C)(C)C 379871621 DTUMTQBUBXIJDW-KURKYZTESA-N 277.496 4.724 30 10 CJEE CCCCCCCCC[C@H](CN1CCCCCC1)NC 381334438 YAQBQFUPXFUFMV-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CC(C)(C)CN[C@@H](CC(C)(C)C)c1ccccc1 384990926 SUUYRDUPDCHEQE-INIZCTEOSA-N 259.437 4.966 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)F)cc1 386406868 IXWIOOUZAOCFNH-GXTWGEPZSA-N 264.319 4.509 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1 386852461 ZOVSKXPMGQFACE-JTQLQIEISA-N 258.192 4.610 30 10 CJEE Cc1ccc([C@H](C)/N=C2/N[C@@H](CC(C)(C)C)CS2)s1 393495101 WVGJRQIXQRQIDV-RYUDHWBXSA-N 296.505 4.615 30 10 CJEE Cc1cc(C)cc(CSC[C@@H](C#N)C(C)(C)C)c1 397524369 WWLNIXIIGQEINL-OAHLLOKOSA-N 261.434 4.723 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 398099741 HCGOSESJKDGYMB-OLZOCXBDSA-N 296.252 4.845 30 10 CJEE CCCCCCC[C@@H](N)c1cccc2cnsc12 402848177 IVJRKZPLYWXOSD-CQSZACIVSA-N 262.422 4.657 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](C)CC(F)(F)F 402937336 MPPKZURDGKULQB-STQMWFEESA-N 267.379 4.914 30 10 CJEE C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F 512281156 JEDKXZVMJFRSTA-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1c(C(F)F)cc(OC(F)F)cc1C(F)(F)F 575664310 DMCBJTQDBLNKTF-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C#CCCCCC[C@H](O)c1cccc2ccsc12 686681935 WQEZSYGFBFOHPI-HNNXBMFYSA-N 258.386 4.518 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC12CC2 686691742 QWYHDHSTLXBBCO-SJORKVTESA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(C)c1Cl 686701872 SJXQGPCGRKBSLO-MRXNPFEDSA-N 277.839 4.883 30 10 CJEE CCCCC[C@H](C)Nc1ccc(Br)c(C#N)c1 690181550 VLYUBKWJLWVIEU-NSHDSACASA-N 295.224 4.701 30 10 CJEE CCCCCCCCCCCCC(=O)C1CC(N)C1 693562102 MFZIFRWMEOVMKK-UHFFFAOYSA-N 267.457 4.604 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@@H](C)CC(C)(C)C#N 695844674 XIBINQUGCKYLAM-NSHDSACASA-N 284.325 4.754 30 10 CJEE C=CCSc1ccccc1NC1C[C@H]2CC[C@H](C1)C2 697670872 PHRSIGWFRBKAJN-KBPBESRZSA-N 273.445 4.955 30 10 CJEE CCCCCC[C@](C)(C#N)N(CCC)C(=O)OC(C)(C)C 698915758 HKBADVYPCFMPHN-QGZVFWFLSA-N 296.455 4.886 30 10 CJEE CCCCCCCCC[C@H](N)c1c(F)cncc1F 699057414 SICQHKXQVAAINI-AWEZNQCLSA-N 270.367 4.500 30 10 CJEE CCCCCCC[C@@H](CN)N1CCCC(CC)(CC)C1 701764863 AVBUIZOWUURUJN-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CC1(C)C[C@]1(C)CNc1ccc(C#N)c2ccccc12 702373395 YNMQPBMQOOBASJ-GOSISDBHSA-N 264.372 4.560 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c(OC)c1 703643778 UKLTUWYXJSOVIF-GDBMZVCRSA-N 293.838 4.573 30 10 CJEE CC(C)CCC[C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 703977061 SDBXABDXIHEDTR-OAHLLOKOSA-N 296.455 4.598 30 10 CJEE C=CCCC(C)(C)CNCCCCc1ccccc1 704046628 LPYBNTCYQKIZPQ-UHFFFAOYSA-N 259.437 4.591 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CCCc2ccccc21 704048160 KAGGYIDTXRZRJG-KRWDZBQOSA-N 271.448 4.689 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CCCC12CC2 706255619 ONQXRTMOXWAXQB-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCC1(O)CC(SC)C1 706784415 UECTYFYGUQENMJ-UHFFFAOYSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCC(=O)c1cnn(C(C)(C)C)c1 714323195 LEVFJUFKYLOHAH-UHFFFAOYSA-N 278.440 4.962 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCC[C@H]2CCCC[C@H]21 714466959 RFGZKQKMWWDQOH-TVFCKZIOSA-N 280.500 4.785 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 715723481 SGHWJWVBWYBNCR-RZFLPCETSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(Cl)c1F 715799805 PUMIWNIPJZZMKP-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=CCCC(C)(C)NCc1cc(F)cc(C(F)(F)F)c1 717898412 LRMAOHNVLKAHKJ-UHFFFAOYSA-N 289.316 4.679 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC[C@H]3CCCC[C@@H]3C2)cc1 723606901 HCYOUHAWDXATLP-JFIYKMOQSA-N 268.404 4.660 30 10 CJEE C=C1CCC(C[C@@H]2CCC[C@H]2CNCC(C)C)CC1 724615410 GBWMWDUXJRNFLR-ROUUACIJSA-N 263.469 4.785 30 10 CJEE C=C(C)CN(CC)C(=O)[C@H](C)SC1CCC(C)(C)CC1 1165997471 KUUAESMPBYCSJT-AWEZNQCLSA-N 297.508 4.502 30 10 CJEE C=CC[C@H](C)N(CCc1ccccc1)CCC(C)(C)C 1175677373 FUUIBQDLKICMMP-KRWDZBQOSA-N 273.464 4.932 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@H]2CCC[C@@H]2c2ccccc2)C1 1178794952 FOOVEJLAKSYNRN-RSPOEFSDSA-N 283.459 4.905 30 10 CJEE C#Cc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)cc1 1180129323 OJCHPRSAKPKHKM-LJQANCHMSA-N 295.813 4.658 30 10 CJEE C=CCCCN[C@H](c1ccccc1Cl)C(C)C 1192834875 UZOPNHZOELBEJQ-HNNXBMFYSA-N 251.801 4.593 30 10 CJEE C#CC[C@H]1CCCN([C@@H](C)c2ccc(C(C)C)cc2)C1 1195464453 UMFYHHJXOJYYPS-IRXDYDNUSA-N 269.432 4.606 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](CCC)C(C)C)CCCC1(C)C 1270800998 IPJLQOLVTIFXMC-HOTGVXAUSA-N 279.468 4.652 30 10 CJEE C=CCCc1ccccc1NCc1cc2cnccc2o1 1308382557 MVYGKHNSRGPZQC-UHFFFAOYSA-N 278.355 4.559 30 10 CJEE C=CCCC(C)(C)NCc1cnc(-c2ccc(C)o2)s1 1308476441 ZKEAOHDKGCNDIH-UHFFFAOYSA-N 290.432 4.546 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2cccc(Cl)c2C1 1308753882 VSMGZVLAMFLLPC-MRXNPFEDSA-N 291.866 4.923 30 10 CJEE C=CCC1(CNCCSCc2ccccc2)CCCC1 1308763380 PRDYNUCDKIRBAD-UHFFFAOYSA-N 289.488 4.646 30 10 CJEE C=CC1(CC(=O)Oc2c(C)cccc2C)CCCCC1 1354877063 ZCQHTQDDMQEFPW-UHFFFAOYSA-N 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291.822 4.576 30 10 CJEE CCCCCCCCCCOC[C@H](NCC)[C@@H]1C[C@H]1C 2239489415 INLPPNQFTNHPMY-KURKYZTESA-N 283.500 4.778 30 10 CJEE C=CCCCCCCOc1ccc(Cl)cc1C(=O)OC 2239573937 NOJIEDHVDWOHLV-UHFFFAOYSA-N 296.794 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)c1ncccc1C1CC1 2240618087 NSMHGPOBYRGUKY-SFHVURJKSA-N 275.436 4.917 30 10 CJEE C=CCCC[C@H](O)c1sc(Cl)cc1Br 2242101328 DDHTXXXTSRLMEB-QMMMGPOBSA-N 295.629 4.554 30 10 CJEE CC(C)(C)C#CCn1ccc2cc(Cl)c(Cl)cc21 2256339952 ZINRUOHFTSGEKK-UHFFFAOYSA-N 280.198 4.998 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C)CC[C@H]1NCCC 2259210729 IOQMUUJOOBXUER-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1[C@@H](C)C1(F)F 2263710550 DNXNYDUAHYACDF-MJBXVCDLSA-N 261.400 4.759 30 10 CJEE CC1(C[C@]2(C#N)CCCC23CC3)CC(C(F)(F)F)C1 2264694882 ACLONUUGIORIPM-YIZWMMSDSA-N 271.326 4.829 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1csc(C2CC2)c1 2267882982 ZGKHIUXDYVTLCR-CQSZACIVSA-N 288.803 4.956 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CCC(F)(F)CC 2268379427 JAIBNHSRCHTPKO-IBGZPJMESA-N 295.439 4.995 30 10 CJEE CC(C)c1cccc(NCC=CC#CC(C)(C)C)c1 2268758893 KCOBMWCBVTXUKX-UHFFFAOYSA-N 255.405 4.828 30 10 CJEE CC(C)(C)C#CC=CCNc1ccc(F)c(Cl)c1F 2268826061 WKBQYFILGVRBKO-UHFFFAOYSA-N 283.749 4.636 30 10 CJEE C=CCCCCCCCSCC1(C(=O)OC)CCC1 2271488902 HHMUPKOAZXGMJJ-UHFFFAOYSA-N 284.465 4.590 30 10 CJEE C=CCCCCCCCSc1cc(C#N)ccc1N 2271587954 XSZXVSOKYYFXII-UHFFFAOYSA-N 274.433 4.759 30 10 CJEE C=C(C)CCCC[C@H]1CCCc2ccccc2C1=O 2271759702 XBBMLWFVWAJWRH-INIZCTEOSA-N 256.389 4.958 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1ccc(CCCC)cc1 2273022561 WCHFTHYXZKFPBO-HOTGVXAUSA-N 259.437 4.892 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1=CCCC1 2276286412 MBMPQLIOFIWKDR-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@@H](CCC(C)C)OCCCN 2276449618 SUMROPZKXGTPJT-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@@](C)(C[C@H](C)CC)OCCN 2277116398 PWKPEMDQORTKDA-SJORKVTESA-N 271.489 4.907 30 10 CJEE C=CC1(C[C@@H](N)c2sc(C(F)(F)F)cc2C)CCC1 2277874679 BYSUKIBZPXYWJN-SNVBAGLBSA-N 289.366 4.822 30 10 CJEE CCCCCCCCC[C@](C)(O)CCCC[C@@H]1CO1 2278163473 BCXVYFBGPZEFQS-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=C(C(C)(C)C)[C@@](N)(c1ccccc1)C1CCCC1 2278286878 ZOMAROUUPXPRNP-GOSISDBHSA-N 257.421 4.633 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C=O)CCOC23CCCC3)C1 2279887295 XCDKDRQHKJMJBT-BRWVUGGUSA-N 278.436 4.511 30 10 CJEE Cc1cc(NCC[C@@H]2CCCC23CC3)cc(C)c1C#N 2281473332 CEOFLTGQRDUXPP-HNNXBMFYSA-N 268.404 4.557 30 10 CJEE Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)cc(C)c1C 2286109825 PEQPNKVZSUTFHH-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C=C(C)CCCCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 2287414300 OSFHOJXOFYGCCG-OPRRPXDXSA-N 275.480 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](OCC)C(C)(C)C 2287468507 VODNNFOOZXRWCS-IRXDYDNUSA-N 283.500 4.942 30 10 CJEE C=C(C)CCCCNc1ccc(N2CCCCC2)cc1 2287473804 VZPQUTWUSZFLJL-UHFFFAOYSA-N 272.436 4.835 30 10 CJEE C=C[C@@H](C)CCNC(c1ccccc1)c1ccccc1 2288681239 BIHOYEZTWFGPRT-MRXNPFEDSA-N 265.400 4.578 30 10 CJEE C=C(CN(C)C[C@@]12CCCC[C@H]1CC2)c1ccccc1 2289084870 NJCYQVCWWKLBMW-OALUTQOASA-N 269.432 4.602 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccnc(C(C)(C)C)c1 2289315026 CUASNBIWGSXUAX-MRXNPFEDSA-N 274.452 4.776 30 10 CJEE CC[C@H]1CC[C@@](CC#CC2CCCC2)(CNC2CC2)C1 2289899982 XGDRQXCREDADPJ-QFBILLFUSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@]1(OCC(=O)O)CCC[C@H]1C 2290567888 XWMLZJWDEUBQLC-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=CCCCC[C@@H](OCC(=O)O)c1ccc(Cl)c(C)c1 2291492316 ZYOXQBHFXAPMNM-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=CCCCCC[C@](CCC(C)C)(OCCN)C1CC1 2292885171 MKYALLVIILVGFJ-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@@](CCC)(OCCN)C(C)(C)C 2294029187 FWWGUZFFJXQLSI-GOSISDBHSA-N 281.484 4.521 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@H]1CC(C)C 2294032765 MSRYUGZTZYWTJF-ROUUACIJSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)[C@H]1CCC[C@@H](CC)C1 2294035076 DLTHMHRAVYWVLQ-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@]1(OCCCN)C[C@@H](C)CC[C@@H]1C(C)C 2294164988 FSBBXVOYNLAMQZ-KSZLIROESA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@@H]1C(C)C 2294355342 JOKISRCHLLEXNK-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE C=CC[C@@H]1CCCN1Cc1c(C)c(C)c(C)c(C)c1C 2294673562 VGSIFJJJEMGNTK-GOSISDBHSA-N 271.448 4.769 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)[C@H](C)CCCNC 2295514477 JDXJFGCPIHPOPV-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE C=CCCCCCCC(=O)c1ccc(OC)c(F)c1F 2295559384 ZWVDGOWZFXUYJY-UHFFFAOYSA-N 282.330 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C=C1CCCC1 2295603329 LHEOZPHUSVQVDK-SFHVURJKSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CCCN1C 2295678628 ZTWZABFZHSQNNH-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CN([C@@H](C)CC)C1 2295680242 XGGAEIMTVXYHOC-SJORKVTESA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H]1CCC1(C)C 2295682481 QPJNSHRXVZDJDU-JZXOWHBKSA-N 283.500 4.642 30 10 CJEE CCCC[C@H](CC)CSC[C@@H]1CCC[C@](C#N)(NC)C1 2295763847 MTBWGVSBFDWICJ-BBWFWOEESA-N 296.524 4.608 30 10 CJEE CC(C)[C@H](C)[C@H](C)OCC1(CS)CCCCC1 2301675607 UAXNRHAQWGXPHN-KBPBESRZSA-N 258.471 4.564 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cscc1C(F)F 2304128696 OUILXNCOWDEKQT-YPMHNXCESA-N 260.349 4.712 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@@H]1SC 2307853522 QBRJVAONVAMBPI-GJZGRUSLSA-N 257.487 4.563 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(F)F 2312117736 GUJPLNVRNSSWFS-MGPQQGTHSA-N 259.384 4.522 30 10 CJEE CSC1CC(C[C@]2(C#N)CCCCC23CCC3)C1 2314264242 FECDEKROAOWCGE-XUJLQICISA-N 263.450 4.772 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](c1cccs1)C(C)C 2315465531 NCZGETMXVMNHHR-IJEWVQPXSA-N 263.450 4.780 30 10 CJEE C=CCC(CC=C)[C@@H](CC(C)(C)CC)NCCC 2316742150 SGDKEBLZWQRBOI-MRXNPFEDSA-N 251.458 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1[C@@H](C)C[C@@H]1C 2321096328 QRFAYNRJNRKZPX-DIECFANBSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@@H](C)C1)NCC 2321132526 ZJJSYFSOEMNTAJ-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(CCC)CC1)NCC 2321140243 GCUSMVIAKBFUIB-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCOc1ccccc1C=CC(=O)c1ccc(C)cc1C 2322565348 GTURHRCJJLLRPI-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc(F)cc1Cl 2327165556 KQEXPHLIDPMVDG-AWEZNQCLSA-N 290.831 4.840 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CC[C@@H]3C[C@@H]32)NCC)CC1 2328646943 JXYVSNSEGSCSGB-BRSBDYLESA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@]23C[C@H]2[C@H](C)C3)CC1 2329403216 PEDUPPUCYVDURW-LAVFITLUSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329766262 JRUVBISNQPQLSM-TUVASFSCSA-N 273.411 4.746 30 10 CJEE N#Cc1ccc(OC(CC2CC2)CC2CC2)cc1Cl 2335093124 JCSLIEBRGHQGGW-UHFFFAOYSA-N 275.779 4.559 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccc(CC)cc1 2335103127 HKNGYDYOTJXNMM-RHSMWYFYSA-N 277.477 4.597 30 10 CJEE C=CC[C@@H]1CCCCN(C(CC2CC2)CC2CC2)C1 2335155333 CRGWSLOVXULEBS-QGZVFWFLSA-N 261.453 4.633 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccccc1C)[C@H](C)N 2335198345 UWGAFEWGYBDRIG-YOEHRIQHSA-N 275.461 4.637 30 10 CJEE CCCCCCC[C@@H](C#CC1(SC)CCC1)NCC 2336178379 XYUFVMXHYFNXIQ-INIZCTEOSA-N 281.509 4.614 30 10 CJEE C=C1C[C@H]1CC(N)(C1CCCCC1)C1CCCCC1 2338344952 ZMLRHFGGAASWDG-HNNXBMFYSA-N 261.453 4.811 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC)CCCCC12CC2 2338729267 DRVAZXRPHFGBMR-GOSISDBHSA-N 261.453 4.705 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCC[C@@]2(C1)CC2(F)F 2338743593 GZWQQAQKYOAJPL-DZGCQCFKSA-N 268.347 4.540 30 10 CJEE C=CC[C@H](C)Sc1ccc(C[C@H](C)N)c(C2CC2)c1 2339157517 KDUGMPOVLSTFJP-STQMWFEESA-N 275.461 4.510 30 10 CJEE CC(C)[C@H](C)[C@H](C)[C@]1(C#N)CCOC12CCCCC2 2340244204 FZESLWNNXULACF-HRCADAONSA-N 263.425 4.548 30 10 CJEE O=CC1(CCCC2=CCCCC2)C[C@@H]2CC[C@H](C1)S2 2341084652 BJWVOCWEZNMEOH-SJPCQFCGSA-N 278.461 4.900 30 10 CJEE C=C(CC)CNC[C@H](c1ccccc1)C1CCCC1 2342484741 FJTBHMNGEYHMEV-GOSISDBHSA-N 257.421 4.516 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1csc(C(C)(C)F)n1 2344349598 UWZSCGIFBXTTAR-GFCCVEGCSA-N 284.444 4.601 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(CC2CC2)c1 2344383721 JILPLSDSQSFRRP-ROUUACIJSA-N 257.421 4.631 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1C2(CCC2)C12CCC2 2344398262 WIFKWUZTPBYANI-HOTGVXAUSA-N 261.453 4.667 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)c1ccc(C)cc1 2352081423 DBIOFXGYXCQZPG-QGZVFWFLSA-N 279.493 4.804 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353049401 BIFUAXRCKZMXRB-IAQYHMDHSA-N 296.241 4.754 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]1C1CCCCC1 2357756503 KJQAULKPDHIKSJ-YDZRNGNQSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1OC[C@@H]2CCCC[C@H]12 2358461592 NKDIXHSZQKQENJ-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(C)(C)C[C@@](C#N)(NCCC)C1 2360333255 JOCJNWVMZKYAMF-UXLLHSPISA-N 294.508 4.525 30 10 CJEE C#Cc1cccc(N[C@@H](c2ccc(C)cc2)C2CC2)c1 37185158 OCVLVZKUYVUKHT-IBGZPJMESA-N 261.368 4.540 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 37935515 AUDLPNWSGBWIEV-GOSISDBHSA-N 278.399 4.969 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(CC#N)cc2)s1 41204303 JLQCRSXGUWMQOA-GFCCVEGCSA-N 270.401 4.550 30 10 CJEE CC[C@@H](C#N)Oc1cc2sc(C)nc2c2sccc12 43556945 UZINSKGDUBAQTO-VIFPVBQESA-N 288.397 4.500 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)c1cccc(F)c1 48936188 ZNXAZMMUKSYBBW-JTQLQIEISA-N 274.726 4.524 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2cccc(Cl)c2)cc1 57684938 FOEFVXGGZBGPMI-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE Cc1ccccc1[C@H](C#N)CCOc1cccc(Cl)c1 57686986 ULBUACUGTYZNBS-AWEZNQCLSA-N 285.774 4.725 30 10 CJEE CCCCCCCCOc1ccccc1/C(C)=N/O 59089426 BCDZRHIOOOLXOZ-SAPNQHFASA-N 263.381 4.624 30 10 CJEE N#Cc1ccc(Nc2ccc3ncccc3c2)cc1Cl 61851224 SZULLWZCXLPYHM-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 68603212 KEWICRSQANUWHK-RISCZKNCSA-N 296.336 4.958 30 10 CJEE Cc1cc(C)c(C#N)c(Nc2ccc(C(C)(C)C)cc2)n1 70139853 ANPZLPYKYGKNMR-UHFFFAOYSA-N 279.387 4.611 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 71108016 DOJURXUXLHPABN-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE CCCc1oc(-c2cc(OCC)ccc2OCC)cc1C#N 77081640 IPWYRLVMXKCESM-UHFFFAOYSA-N 299.370 4.568 30 10 CJEE CC[C@@H](C)Oc1cccc(-c2cc(CC#N)c(C)s2)c1 77094547 AANUCNCANHVJOI-GFCCVEGCSA-N 285.412 4.967 30 10 CJEE CC(C)(C)c1nc(CSC2CCCCC2)sc1C#N 82439758 VNNAHEQHCLVMBE-UHFFFAOYSA-N 294.489 4.878 30 10 CJEE Cc1ccc(C2(C#N)CC(c3ccccc3)C2)cc1C 86559358 WAPDHVKDSRNYRJ-UHFFFAOYSA-N 261.368 4.642 30 10 CJEE CC[C@@H](C)c1ccccc1OCC[C@@H](C)CCS 94583195 WHVSMEWSFSBFKY-ZIAGYGMSSA-N 266.450 4.925 30 10 CJEE SCCCCCCO[C@@H]1CCCc2ccccc21 94583820 USYLYWFCNDPAMT-MRXNPFEDSA-N 264.434 4.571 30 10 CJEE CC#C[C@H](C)Cc1ccc(OCc2ccccc2)cc1C 107616764 PSLSGXFCLIOSSF-INIZCTEOSA-N 278.395 4.776 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCC 110081612 SSUWPRRORLKMII-FGTMMUONSA-N 283.500 4.776 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN2CCC[C@H]12 110167028 UMKJDHMCTMAVOI-RTBURBONSA-N 294.527 4.734 30 10 CJEE CCCCCCCCOCCNc1cccc(F)c1 110239624 RZTCXEJCYDAUCE-UHFFFAOYSA-N 267.388 4.615 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc2nccnc2c1 112646190 XTYPWWMZSMDHSZ-MRXNPFEDSA-N 285.435 4.641 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(F)cc(OC)cc1F 115857003 MLXJDBZEMRPDIJ-MRXNPFEDSA-N 299.405 4.985 30 10 CJEE CCCCCCCC[C@H](N)c1occc1Br 128302440 MXBAOFUNKWPNLN-LBPRGKRZSA-N 288.229 4.793 30 10 CJEE N#Cc1c(Cl)cccc1OCc1cccc2ccccc12 128938644 YZMJSDYFFZOHHU-UHFFFAOYSA-N 293.753 4.944 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@H](C)OC)NN 130764984 QLOLBDYPTPYDAC-DLBZAZTESA-N 286.504 4.554 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H](C)C(C)C 131280574 FUVQYNIDWCCPHI-HOTGVXAUSA-N 256.478 4.641 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](OC)C1CC1 158236573 JWAGSHLMHUNRMI-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(C)cc1F 159024272 HJKINGAJZXJEBE-MRXNPFEDSA-N 251.389 4.885 30 10 CJEE Cc1ccc2c(c1)[C@H](Nc1ccc(Cl)c(C#N)c1)CC2 160781634 QSDQKUKSJYAJFQ-QGZVFWFLSA-N 282.774 4.620 30 10 CJEE CCc1ccccc1Oc1ccc(C(F)(F)F)c(C#N)c1 164499884 WGMXFRGQHHASNJ-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccccc1Br 164540513 FAPGFIOYNOJIEP-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C=C(C)CC[C@@H](NC)C1(c2ccccc2)CCCCC1 164582618 CCIRXXHXWPSCLT-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(F)c(Cl)c2)CC1 164697659 DKGHVVRKECVBSI-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cccc(Cl)c2F)c1 166759347 IBHCOGQFNPXKBY-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCC[C@H](NCC)C1(CC(C)C)CCCC1 167680354 GJNCKVGDPTWPFY-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H](NCC)c1csc2ccccc12 167746873 MYXOFYXTEJLMTD-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCC1CCC(Oc2ccc(C)cc2/C(C)=N\O)CC1 212653119 FRUHNKUMXNUJMT-AQTBWJFISA-N 275.392 4.541 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 214507375 COKNWDNLGQUTIQ-GDBMZVCRSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(CCC)CCNC1 226353568 IPURFWFRFJIFDY-GOSISDBHSA-N 281.484 4.866 30 10 CJEE C[C@H](CCS)CCO[C@H]1C[C@@H](C)CC(C)(C)C1 227282491 WKNVZFLHXFYISK-MJBXVCDLSA-N 258.471 4.564 30 10 CJEE CC#CC[C@H]1C[C@@H](CCC)CC[C@H]1CNC(C)(C)C 227527711 CYNVWLQZAWKNHK-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC(=O)c1cccc(SCCCCC(C)(C)C#N)c1 232451969 XWELZOKBVKXTLY-UHFFFAOYSA-N 275.417 4.701 30 10 CJEE CCCCCCCCCc1nc(CCC)sc1N 232960145 FBXOXMMKZPHQIZ-UHFFFAOYSA-N 268.470 4.971 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cccc(C)n1 233164404 MCMXJFVTDLNPJN-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE CCc1ccc([C@@H](C)NCCCCC(C)(C)C#N)cc1 234138748 VENUEWLVQCJAGI-OAHLLOKOSA-N 272.436 4.620 30 10 CJEE COc1ccc(C#N)c(SCc2ccccc2Cl)c1 235001260 QSKGJLRSFYJRSK-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE Cc1ccc([C@H](C#N)Nc2cccc(Cl)c2)cc1Cl 235900677 KSTNCYXPBNBDCZ-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE N#Cc1ccnc(Nc2ccc(Cl)cc2Cl)c1Cl 236040760 JADNJWRIWLKJEE-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCCCCCOc1cc(F)cc(Br)c1 236133276 MBDNPCMWSRLKJC-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=CCCCCC[C@@H](O)c1csc(Br)c1 236550406 NACHYXRFAJEUJD-LLVKDONJSA-N 289.238 4.681 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CN 250830824 RADFIGVSTVZGQS-BBWFWOEESA-N 253.474 4.994 30 10 CJEE Cc1cc(Oc2ccc(C=NO)cc2)ccc1C(C)C 250956854 MKNFFHLTEOCDMF-UHFFFAOYSA-N 269.344 4.719 30 10 CJEE CC(C)[C@@H](CS)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 252175918 RZNJHKOVEZCLHO-KLHDSHLOSA-N 272.498 4.666 30 10 CJEE N#CC[C@@H](c1cccc(C2CCSCC2)c1)C1CC1 260680096 UZCLFEXYADMFQZ-QGZVFWFLSA-N 271.429 4.704 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1Cl 308057296 ROMNVKICXBWQMA-OCCSQVGLSA-N 277.795 4.589 30 10 CJEE C=CCCCC(=O)c1ccc(OCc2ccccc2)cc1 309972376 OFYXSYVSGWYYHG-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CCCCCCC[C@@H](Cc1csc(C)c1)NCC 310915569 IKWBSNXYJLAWJL-INIZCTEOSA-N 267.482 4.938 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)cc(F)c1F 311513781 ZWCZCOAQHVKNNK-AWEZNQCLSA-N 274.326 4.888 30 10 CJEE C=CCCCCN[C@@H](C)c1oc2ccccc2c1C 311635116 PWSGYBQCLKFVCF-AWEZNQCLSA-N 257.377 4.748 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nccc3ccccc23)C1 312449195 OGDFHTJFFBXEPU-KDOFPFPSSA-N 264.372 4.596 30 10 CJEE CC(C)C(Nc1ccc(C(F)(F)F)cc1C#N)C(C)C 312782978 GDQRLTIHUUYYSF-UHFFFAOYSA-N 284.325 4.670 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CCC3(CCCCC3)O2)C1 317317039 VQEULWULASBCKC-BRWVUGGUSA-N 278.436 4.654 30 10 CJEE CSc1cccc(NC(C2CCC2)C2CCC2)c1C#N 324974356 PACKAVQRBVRHMB-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C(C1CCC1)C1CCC1 380351900 LHMUFPDJOIFTPR-KRWDZBQOSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCNCc1ccc(F)c(Cl)c1 382176643 SGTXQOOCLFLRHG-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE Clc1cccc(N=C2N[C@@H](C3CCCCC3)CS2)c1 386158491 KICIWSHJTLWQQV-CQSZACIVSA-N 294.851 4.613 30 10 CJEE CCCCCCCCC[C@H]1CC[C@H](CNCCC)O1 388799592 PAJVTFKPWTZMDO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)C(=O)[C@@H]1CC1(C)C 397692686 NMENHOHREFMQPV-KGLIPLIRSA-N 266.425 4.557 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C)OCc1ccccc1 404202093 QHAHCQINPZJPLM-FUHWJXTLSA-N 278.436 4.703 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 451326470 DHRPXOFIGFRBAM-SOLBZPMBSA-N 297.442 4.913 30 10 CJEE CCCCCCCCCc1cc(CCCCCO)on1 686292188 QWFAQFIBGWKOSR-UHFFFAOYSA-N 281.440 4.673 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCC[C@H](OC)C1 686351168 YSBZMNLSWQJEQT-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE C#CCCCCC[C@@H](O)c1cc(Cl)ccc1Cl 686672910 NQKFUBLEDCQEJL-CQSZACIVSA-N 271.187 4.611 30 10 CJEE CCC1(CC)CS/C(=N/CCCC2CCCCC2)N1 694076699 RDRBUUXVTNEEMG-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE CCCCCCCn1c(S)nc2cc(F)c(C)cc21 703734803 OVHFBCRXODNNTL-UHFFFAOYSA-N 280.412 4.743 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1c(F)cccc1Cl 704935975 BFCHXRQFJFYQOK-IJLUTSLNSA-N 265.759 4.913 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H](CCC)C2)C1 708389946 SMLXKXFJNUHXPV-TVFCKZIOSA-N 276.468 4.607 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@@H]1CCCC(C)(C)C1 708573036 DDMYXZPIWMQVFQ-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1CCSC1 708794931 NWXCHULNOSKLLE-HOTGVXAUSA-N 271.514 4.988 30 10 CJEE C[C@](C#N)(Nc1ccccc1Cl)[C@@]12CCCC[C@@H]1C2 709093657 APIJVEFBWDOKSE-DAXOMENPSA-N 274.795 4.614 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2(OC)CCCCC2)C1 710330251 RSOHUJZSRROWBO-HZPDHXFCSA-N 266.425 4.511 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/NC3(CCCCCCC3)CS2)C1 713201462 CCOQVYDLIRTXHV-CABCVRRESA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 715787948 OFUQUDSPJJCKAL-NXOAAHMSSA-N 251.458 4.639 30 10 CJEE C=CCC[C@H](NCC[C@]1(C)C[C@]1(F)Cl)c1ccco1 846186628 YUXKCHYBPZIWSH-NWANDNLSSA-N 285.790 4.581 30 10 CJEE CC(=O)c1ccc(N=Cc2c(C)cc(C)cc2C)cc1 1084056437 GLVLLQLMQZNVKY-UHFFFAOYSA-N 265.356 4.565 30 10 CJEE C=CCCCN(Cc1cccc(Cl)c1)C(C)C 1190364978 GXCRTNYXYZVIDB-UHFFFAOYSA-N 251.801 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cn(CC)cn1 1258229482 QGSIWWABMABUAJ-MRXNPFEDSA-N 279.472 4.522 30 10 CJEE C=CCN(Cc1ccccc1)c1nc2ccc(F)cc2s1 1307079292 NHKFGKSHNFRRFV-UHFFFAOYSA-N 298.386 4.628 30 10 CJEE C=C(C)CCN1CCc2cc(-c3cccc(F)c3)ccc21 1307561066 BLJUFARKSZRLBC-UHFFFAOYSA-N 281.374 4.821 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2ccc(Cl)c(C)c2)C1 1308416837 JYZADISPNUVIOB-GDBMZVCRSA-N 277.839 4.525 30 10 CJEE C=C[C@@H](CC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 1352574955 QWUWTMMSUSHJDD-AWEZNQCLSA-N 299.801 4.947 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@H](CC)C(C)(C)C 1352632428 ZSYKIAGRWCEJST-KRWDZBQOSA-N 287.447 4.664 30 10 CJEE C#Cc1cccc(N(C)C(=O)[C@@](C)(CC)CCCCC)c1 1435055995 YXBNFJFVEARMKP-IBGZPJMESA-N 285.431 4.627 30 10 CJEE C#CCCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1 1458559120 IWZFRRLHZKWSNM-HNNXBMFYSA-N 278.779 4.528 30 10 CJEE C=CCCC(C)(C)NC(=O)CCCC1CCCCC1 1461768406 HYJXJWQVAYRQJJ-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H](C)c1ccc(F)cc1 1461983098 OTRXMCFRZCBSEW-QGZVFWFLSA-N 297.417 4.660 30 10 CJEE C#C[C@H](NCC1CCC(c2ccccc2)CC1)C(C)(C)C 1462300509 YYNUVJUKRRHOFI-KVZIAJEVSA-N 283.459 4.598 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@H](C(C)C)C1)c1ccccc1 1466956097 AKHSMNQMOLZAHW-OALUTQOASA-N 299.458 4.631 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](C)c1ccccc1Cl 1473453740 JAWILJMZGPGMQA-HNNXBMFYSA-N 283.802 4.536 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](C)CC1CCCC1)c1ccccc1 1528623426 GEYJJYFGSPZESS-WMLDXEAASA-N 272.388 4.673 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1532344917 MPWFOKSABSFSDE-YJBOKZPZSA-N 287.447 4.801 30 10 CJEE C=CCCCC(=O)N(CC)c1cccc(Cl)c1Cl 1538954425 IPWWBQMVYOXKOL-UHFFFAOYSA-N 286.202 4.703 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cc(C)sc1C 1559698912 KDPSTIFVMDYJCL-AWEZNQCLSA-N 263.450 4.599 30 10 CJEE C=CCN(Cc1ccc2ccc(Cl)cc2n1)C(C)(C)C 1560005040 CMSCZJSRWZGGOU-UHFFFAOYSA-N 288.822 4.675 30 10 CJEE C=C(C)CCN1CCC[C@@H]1c1ccccc1C(F)(F)F 1560103069 GAFTWGMBBWKQOV-OAHLLOKOSA-N 283.337 4.809 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 1596352075 ITXRDEQPVXHMNA-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE Cc1cc(N[C@H]2C[C@@H](C(C)C)c3ccccc32)ncc1C#N 1612730750 DZWYMHZSDNKBMO-ROUUACIJSA-N 291.398 4.558 30 10 CJEE Fc1cc(C#Cc2cccc(C(F)(F)F)c2)ccc1Cl 1614824834 CDLOMAFUUZYYOY-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCC(C)(C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 1616989368 DLSXOCFANQFVHE-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE CC(C)(C#N)CCCCN1CC(C)(C)c2ccccc21 1620475103 NTQWQPIQPAKPMU-UHFFFAOYSA-N 270.420 4.504 30 10 CJEE C=C(C)CCSc1ncc(-c2ccc(F)cc2)o1 1640823986 PRTNMYFPXNEKBW-UHFFFAOYSA-N 263.337 4.539 30 10 CJEE C=CCCC(C)(C)CNc1nc(C(F)(F)F)cs1 1643032630 JZUBOIOAIPIALL-UHFFFAOYSA-N 278.343 4.566 30 10 CJEE C#C[C@H](N[C@H](C)CCCC(C)C)c1ccc(Cl)cc1 1652580928 XVCIKXIGTCMVHE-PBHICJAKSA-N 277.839 4.819 30 10 CJEE Cc1cccc(CS[C@@H](C#N)CCc2ccccc2)c1 1652840412 FQVTUUKYADUYHQ-GOSISDBHSA-N 281.424 4.753 30 10 CJEE C=CCN(Cc1c(C)cccc1C)CC1CCCCC1 1653367242 NCQQHSLRWYNZBB-UHFFFAOYSA-N 271.448 4.872 30 10 CJEE Cc1c(Cl)cnc(NCC2(C)CCCCCC2)c1C#N 1655321178 BDIBEGRAPKKLMA-UHFFFAOYSA-N 291.826 4.688 30 10 CJEE C#Cc1ccc(CNc2cc(SC)ccc2Cl)cc1 1657662077 RVIWFUFTCRVXPV-UHFFFAOYSA-N 287.815 4.655 30 10 CJEE C=CCCc1ccccc1N[C@@H]1C[C@H](OC)C1(CC)CC 1657881920 CJVYPQOGTMUHGJ-MSOLQXFVSA-N 287.447 4.811 30 10 CJEE C#C[C@H](NCc1ccc(Sc2ccccc2)cc1)C(C)C 1658042740 JWDXLRRNDDVKBE-IBGZPJMESA-N 295.451 4.585 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1c2ccccc2CC[C@@H]1F 1658780704 YNSXCTMVJRSPLT-SZMVWBNQSA-N 275.411 4.737 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 1659352605 OOWFEZYUJWIUBL-GFCCVEGCSA-N 284.230 4.782 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C(C)C)C1 1660014508 KJWSKFSWRANJMB-AQNXPRMDSA-N 285.475 4.978 30 10 CJEE C=CCCC(C)(C)NC(=O)N[C@@H]1CCCCC12CCCC2 1682777393 FPCNJGKBKODHQF-OAHLLOKOSA-N 292.467 4.533 30 10 CJEE C[C@H](CC(C)(C)C#N)N[C@@H]1CCCCC12CCCCC2 1875419933 PGGNUUQOCYSURU-HZPDHXFCSA-N 276.468 4.797 30 10 CJEE C[C@@H](CC(=O)C1=CC[C@H](C(C)(C)C)CC1)P(C)(C)=O 1877363786 MYORDDXZWHSFCM-JSGCOSHPSA-N 284.380 4.729 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H](CC)CC(F)(F)F 1879652039 YTUXUXAXZUUVIJ-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE C=C1CCC(CN(Cc2ccccc2)CC(C)C)CC1 1883421875 OANNDJIWQTWFIN-UHFFFAOYSA-N 271.448 4.891 30 10 CJEE CCCCCCCCCCN(C)c1ccc(O)cc1 1883819425 OICLPKYDJCEVAB-UHFFFAOYSA-N 263.425 4.969 30 10 CJEE CC#CCCCC[C@H](NC)c1ccsc1C(F)(F)F 1885236032 IKGORWCLCPCOBD-LBPRGKRZSA-N 289.366 4.611 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)ccc1C(C)=O 1899395810 UHNKECZCYNWHNL-SECBINFHSA-N 254.782 4.599 30 10 CJEE CC[C@H]1CCC[C@H]1N=C1NC2(CCCCCCC2)CS1 1911959245 CNALBXWWUIPIHG-LSDHHAIUSA-N 294.508 4.741 30 10 CJEE CC[C@](O)(CC#CC1CCCCC1)c1cccc(Cl)c1 1919926678 DBOYRMVIXKOXIT-SFHVURJKSA-N 290.834 4.911 30 10 CJEE CC1(C)CCCO[C@@H]1CC1(C=O)CCCCCCC1 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291.555 4.596 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1C[C@H]1COC)NC 2190100245 MHQAHBLPFGLFFT-OKZBNKHCSA-N 283.500 4.778 30 10 CJEE SC[C@@H](CC1CC1)CN1CCC[C@H]1C1CCCCCC1 2192036835 GHMJEOPMUROTKF-WMZOPIPTSA-N 295.536 4.767 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@@H](c2ccccc2)CS1 2193742618 AJKRZJZLRLSYKV-JKSUJKDBSA-N 290.476 4.779 30 10 CJEE CC#CCCC[C@@H](Cc1c(F)cccc1Cl)NCCC 2194067878 RKAKRQHBBPHHPV-AWEZNQCLSA-N 295.829 4.583 30 10 CJEE CCCCCCCCCN1C[C@@H](C)N(CCC)[C@H](C)C1 2195537191 MLCSRHMHCIPLEP-QZTJIDSGSA-N 282.516 4.542 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 2195957897 BDPPCFGINSDRJZ-GJZGRUSLSA-N 289.385 4.786 30 10 CJEE CCCCCCCCN(C)CCNc1ccc(C)cc1 2196714591 KAOUYGSZHRHPNW-UHFFFAOYSA-N 276.468 4.699 30 10 CJEE CCCCCCCCN(C)[C@@H](CN)CCCCCCC 2196737578 RYDKUMVLPMEQSD-GOSISDBHSA-N 284.532 4.967 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(F)c(F)cc1Cl 2196857337 JSWQMOWDHPJKAL-BDJLRTHQSA-N 299.792 4.708 30 10 CJEE C=C(c1ccccc1)[C@](N)(c1ccc(Cl)cc1)C1CC1 2197141198 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OHVNYUBSBTVCFD-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE FC(F)(F)[C@H]1CC[C@@H](OCCCCCCS)CC1 2223491680 PXBQBBXEGULVSO-TXEJJXNPSA-N 284.387 4.614 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@H]1C(F)F 2223854180 QYVRLILVEPKUAN-MELADBBJSA-N 261.400 4.616 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]2C[C@H]12 2223855778 WFRVIWVJXLCFHO-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225290745 UMTATTHMEPNSGE-WCVJEAGWSA-N 260.421 4.908 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225365497 JJKRSXWKSBIQCE-QDMKHBRRSA-N 260.421 4.908 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCC[C@@H](F)C1 2227280717 CNKGGELDIYEEGH-DLBZAZTESA-N 269.448 4.973 30 10 CJEE C=CCCCCCCC[C@@]1(C#N)C[C@H](OC)C1(C)C 2227283356 ZLQHJRFDBPQHJZ-RDJZCZTQSA-N 263.425 4.858 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1O 2230993851 HTQUQVGYLADVEE-YESZJQIVSA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc([C@H](C)OC)cc1 2234956550 GCSOSDRDLJRTFH-YJBOKZPZSA-N 278.436 4.962 30 10 CJEE C=CCCCCCCC[C@@H](N)C(C)(C)[C@@H]1CCCCO1 2235519088 MSKQMMOHPPXYFV-SJORKVTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@H](CC[C@H]1CCCCO1)NC 2235524387 PNLYZHKKTWQYCV-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)C1CCOCC1 2235540622 YTFISAVKFZENNC-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NN)C1CCC(SC)CC1 2235541309 GXXLSTZWZNRTKT-JCYILVPMSA-N 298.540 4.657 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC[C@@H]1C[C@@H]1C)NCC 2236450299 TYJJQINJQKSWCT-MHORFTMASA-N 283.500 4.512 30 10 CJEE C=C(CN(C)Cc1sc(C)c(C)c1C)c1ccccc1 2236905820 MOCGWYYVNLPHGJ-UHFFFAOYSA-N 285.456 4.819 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc2c1CCO2 2238079050 ILPPYZYRFYEUCP-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCC(C=O)(CC)CN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238152789 ZRAFVXJTLPUJBU-CVEARBPZSA-N 281.484 4.528 30 10 CJEE CCCN[C@@H](C#CP(C)(C)=O)[C@H]1CC[C@H](CCC)CC1 2238206900 XXWFHZUZXVKODD-ULQDDVLXSA-N 297.423 4.545 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)cc1CO 2239471861 SGWPFYKRPAELCH-UHFFFAOYSA-N 297.826 4.521 30 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C=CCCCCCCC[S@@](=O)CCCC(C)(C)C#N 2271520092 RPJZMBQNCCIDLC-LJQANCHMSA-N 283.481 4.592 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cccc(F)c1F 2271781383 OFOWYOZRTJYMLU-OAHLLOKOSA-N 267.363 4.752 30 10 CJEE C=C(C)CCCC[C@H](O)c1cccc(OCCC)c1 2271790097 ZAYRQMZGASXBOT-KRWDZBQOSA-N 262.393 4.645 30 10 CJEE C=C(C)CCCC[C@@H](N)C1(C)CC2(CC(F)(F)C2)C1 2271833566 RMZFXIZFCNGDJP-CYBMUJFWSA-N 271.395 4.666 30 10 CJEE C=C(C)CCCCC(=O)[C@H]1CCC[C@@]2(C1)CC2(F)F 2271835623 WSWDLHJMZRHVAC-DZGCQCFKSA-N 270.363 4.908 30 10 CJEE CCCC[C@@H](CC)[C@@H](C#CC1CCCCC1)NCC 2274059053 HZDSMMLHHHPCCD-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cccc2ccsc12 2274111857 HRCFCNKLMIMIKR-MRXNPFEDSA-N 270.397 4.518 30 10 CJEE CCCCCCC[C@@H](OCCN)C1=CCCCCC1 2276754238 QVEQBCDXOGRDEU-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=CCCCCCCCC[C@H](CC(C)C)OCCN 2276968596 WVOZLINYFLZAFD-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 2277803213 GBCPYGGWOYQHEP-CKEIUWERSA-N 251.373 4.620 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@H](C)COC 2278167940 YWJFJBSPXACWFQ-IRXDYDNUSA-N 272.473 4.941 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CC)CCCO 2278242843 KQQSEDJKIWXIPG-SJORKVTESA-N 271.489 4.656 30 10 CJEE N#Cc1ccc(NCC[C@@H]2CCCCC23CC3)cc1Cl 2279742257 XMEOEUJTTXVKLK-AWEZNQCLSA-N 288.822 4.984 30 10 CJEE C=CCCCCCCCOc1ccc([C@H](C)O)c(C)c1 2283355204 CMIIPDWLDHPGDE-INIZCTEOSA-N 276.420 4.954 30 10 CJEE CCC1CCC([C@@](C)(O)CC=CC#CC(C)(C)C)CC1 2284080833 RUYASPSCGLUCKD-TVPLGVNVSA-N 276.464 4.950 30 10 CJEE C=CCCCSCc1ccc(NCCC)c([N+](=O)[O-])c1 2287078294 ZNYJVSBVPMUXHC-UHFFFAOYSA-N 294.420 4.616 30 10 CJEE C=CCCCCCCCS[C@H]1CC[C@@](C#N)(NCC)C1 2287096655 NKEFDJHEPRQENT-DLBZAZTESA-N 294.508 4.671 30 10 CJEE CCCCCCCCC[C@@H](NN)c1csc(C)c1OC 2287257899 OXNYCNHSKJZPKS-OAHLLOKOSA-N 298.496 4.710 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1 2287671643 ACPFEVCHRNLUGB-XYJFISCASA-N 281.484 4.528 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@]12CCCC[C@H]1CC2 2289078434 URTOTPPKBFRGDM-FUHWJXTLSA-N 269.388 4.524 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCCC2(C)C)c(F)c1F 2289651175 ONLJTVDMCFZQMZ-KRWDZBQOSA-N 280.358 4.601 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCC(=O)O)C(CCC)CCC 2291034268 QUOUEWHYFMEAKY-PBHICJAKSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CCCC[C@H]1C 2291306138 IEUMWPOIGCZWST-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC1(C)C)OCC(=O)O 2291745693 SZLZDYDSQXIPTP-HUUCEWRRSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)C=CCCC1(C)C 2291945231 FHEMQDBKYIKSFA-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@](C)(CC1CCCCC1)OCCC(=O)O 2292048323 XUWVBZLQHIGRAD-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCC1(F)F)OCCN 2293098504 SVBPNONPHRFUOS-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1CC2(CC2)C1 2293342585 NKERXOQTVODFFQ-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1scnc1C 2293456904 FQZPGXZPNLLSFT-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@@H](C)CC1 2294048585 SDBKJCNXCQSBMK-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@H]2CC[C@H](C2)C1 2294581233 ZNQTYADVXSFCEG-BCDXTJNWSA-N 281.484 4.661 30 10 CJEE CC1(C)CCC(C)(C)[C@@](O)(C#Cc2ccccc2Cl)C1 2295241633 CIMZRYZDDLLYOH-GOSISDBHSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H]1[C@@H](C)[C@H]1C 2295597415 VFYMKNCENGXTHB-DFGXFYAUSA-N 282.468 4.739 30 10 CJEE Cc1cc(OC2CCC(C(C)(C)C)CC2)ccc1C#N 2296394353 DLKWHNJVJYCLQU-UHFFFAOYSA-N 271.404 4.850 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1CCC1(F)F 2313779664 PUNUMBBUKDGLGO-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=C1CC(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 2319570759 DZQXXBVOELFCQM-UHFFFAOYSA-N 274.669 4.508 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2320290376 XBHJGIMACUTSSI-JYYAWHABSA-N 250.426 4.844 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)C1CC(CC)C1 2321095715 LKNNOPSZSCEWRD-SJJHQCBESA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1CCCCC1(F)F 2321115769 HDQPPUZWVDNYHQ-MCIONIFRSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC12CCC(CC1)CC2 2321238534 XAXFWUCPDDJFEK-YZUHTNEWSA-N 250.426 4.700 30 10 CJEE CCC(CC)(CC)COCC1(CS)CC(C)(C)C1 2321724304 QXFQVIQRMPVYNJ-UHFFFAOYSA-N 272.498 4.956 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@H]1SC 2327890471 MELGGTZZUPWHDY-HZPDHXFCSA-N 270.482 4.940 30 10 CJEE CCC(CC)N(CC(C)C)C[C@H](CS)CC(C)C 2328542009 RBZKHMRHPZQWSP-OAHLLOKOSA-N 273.530 4.725 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CC[C@H](COC)C1 2331324120 UQAZTIDTCYYAKX-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1 2332677070 BHYSIULVMNOOMY-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc([C@H](C)N)cc1F 2335241999 NMQYATIGCJTRFQ-JTQLQIEISA-N 283.387 4.597 30 10 CJEE C=CCC(CC=C)[C@H](C[C@]12CCC[C@@H]1C2)NCCC 2338731970 FHSCFXJKTQQXOH-FGTMMUONSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@](O)(CC(C)C)c1ccccc1 2338747526 QQLNGWKYSTZLMI-SFHVURJKSA-N 258.405 4.689 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(C)cc1SC 2342321913 QMVKZPUJAVZWFA-INIZCTEOSA-N 275.461 4.561 30 10 CJEE CCCCCCCCCC(=O)C12CC(C[C@@H](C)O1)C2 2342364374 XIQXMJKTEXPGPY-HPUBIQBYSA-N 266.425 4.654 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Cl)cc1OC 2344344094 HCBBDFYDBIYZSR-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC2(CC(C)C2)C1)NC 2344348399 KKBBFTIPMWLNGM-HQLARUHQSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CC#CC1CCCCC1)NCCC 2344349326 RUEQAKDYPNBXQO-WMZOPIPTSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccccc1C1CC1 2344412288 REZBVSPSPDEKAC-SFHVURJKSA-N 256.389 4.668 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C1CC(c2ccccc2)C1 2344456923 JSQTYHMDYKUUSG-HIEASXQVSA-N 258.405 4.534 30 10 CJEE Cc1cc(C)c(C)c(OCC2(CS)CC(C)(C)C2)c1 2344993893 SBLQLQULMWBZCF-UHFFFAOYSA-N 278.461 4.727 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@H](CC)CCC)NC 2353462669 UABUGDUPXKVCAT-ZACQAIPSSA-N 271.489 4.512 30 10 CJEE CSc1cc(N[C@@]2(C)CC=C(C)CC2)ccc1C#N 2353827938 NGJFGTKDZNZEFR-INIZCTEOSA-N 272.417 4.581 30 10 CJEE C=C[C@@](N)(C[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 2357807880 WWVNKTJUGQYJDK-YTQUADARSA-N 269.432 4.633 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cc(F)c(C)cc1F 2360204841 GVJOLLSGCATJEK-MRXNPFEDSA-N 297.414 4.527 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCc2ccccc2[C@H]1NCCC 2360324220 OBHRQLOHJHKTDU-BMGDILEWSA-N 289.488 4.740 30 10 CJEE C/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccccc1 33395549 FZEAVIFAHPIVOS-UYRXBGFRSA-N 293.395 4.646 30 10 CJEE CC(C)c1cccc(Oc2ccc(C#N)cc2F)c1 36886836 GIXZXFJDOGZFDG-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE Cc1ccc(C)c(SCCCOc2ccc(C#N)cc2)c1 37143669 PFIUUXVIAFPNLE-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE CCCC[C@@H](CC)COCCCC[C@@](C)(C#N)NC(C)C 45324521 PFWAHWJTKTUBNJ-MSOLQXFVSA-N 296.499 4.670 30 10 CJEE N#Cc1cc(NCc2csc3ccccc23)ccc1F 54463712 FGZAYJYJAAPBSC-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE N#CC[C@H](Nc1cc(Cl)ccc1F)c1ccccc1 55016485 SYHRSXPYXAVUJL-AWEZNQCLSA-N 274.726 4.546 30 10 CJEE Cc1ccc(S[C@H](CC#N)c2ccccc2)cc1 55022377 PXAJDEZDUJDUCK-MRXNPFEDSA-N 253.370 4.742 30 10 CJEE CCCCCCCCCSc1ccc(N)nc1 59192841 CABNNPXSHBUEGH-UHFFFAOYSA-N 252.427 4.507 30 10 CJEE CCCCCCCCNc1ccc2c(c1)OC(C)(C)O2 59422823 GEJMHFPNCOVUFA-UHFFFAOYSA-N 277.408 4.966 30 10 CJEE C[C@H]1CC[C@@H](C)[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 68618539 DDYUFMAJMHTKSN-FIXISWKDSA-N 296.336 4.814 30 10 CJEE CC(C)c1cccc2c(CS)c3c(nc12)CCCC3 82478663 NBBWFEVHYYCYCD-UHFFFAOYSA-N 271.429 4.667 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2ccc(C)cc2)CC1 86914048 UGMNKRYHPROCIW-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C(C)C)CC1 86946076 GOGCPRAEZJEGDC-DLBZAZTESA-N 270.420 4.884 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2CCCc3ccccc32)C1 87322441 HTQMGOYOHFTLRY-INIZCTEOSA-N 268.400 4.812 30 10 CJEE N#C[C@@]1(Cc2c(F)cccc2Cl)CCCc2ccccc21 87930041 KGFNHGDLWKZUKS-SFHVURJKSA-N 299.776 4.819 30 10 CJEE CSc1ccc(OC[C@H](CS)c2ccccc2)cc1 94585207 AGHIBOKILKKUDE-CQSZACIVSA-N 290.453 4.501 30 10 CJEE CCCC(CS)(CCC)COc1cccc(N(C)C)c1 94585568 OWFXVGHJGJWLNP-UHFFFAOYSA-N 295.492 4.648 30 10 CJEE Cc1ccc(SCC2(CS)CCCCC2)cc1 94588736 BRNCCOCATPMSFP-UHFFFAOYSA-N 266.475 4.967 30 10 CJEE C=C(C)CN(CC)c1cc(C)c(F)cc1[C@@H](C)NCCC 94765495 PMHIEHMBUFFIMV-OAHLLOKOSA-N 292.442 4.597 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2cc(C)cc(C)c2)cc1 103030073 SPPGWKDVLONMTB-KTKRTIGZSA-N 295.382 4.511 30 10 CJEE CCc1ccc(/C=C2/CC[C@@H](C3CCCC3)C2=O)cc1 104375905 FIBOWLAQFMCLBQ-FDWYHIAWSA-N 268.400 4.802 30 10 CJEE CCCCCCCCCC[C@H](O)COc1ccccc1 109714255 XEGUBTIXWMXRCY-KRWDZBQOSA-N 278.436 4.957 30 10 CJEE CCCCCCCCNc1cccc(-c2n[nH]c(C)n2)c1 109914472 XVDZVXFZJGJPFZ-UHFFFAOYSA-N 286.423 4.553 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1NCC 110083786 BODOORZWDUOJKY-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE Cc1ccc(N(C)c2ccc(C#N)c(C(F)(F)F)c2)cc1 110257748 UTWUHBFBWDOLIY-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC3(CCCC3)CC2)C1 110265676 UWWSRJZDUDJNJU-KZNAEPCWSA-N 288.479 4.751 30 10 CJEE CCCCCCCCSc1cccc(C(=O)O)c1 112407193 JHVGEGIDTJOKAM-UHFFFAOYSA-N 266.406 4.837 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2CC[C@@H]1C2 114640865 NCFRWASKEFUMCR-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCC[C@H](N)C(C)(C)N1CCCC1 118143695 GXPBULRZJLKGIH-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](NC)[C@@](C)(CC)N1CCCCC1 118163895 JQFSSYJJUUMFHN-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CC[C@@H](N)C1 118679180 XXWDWOUNDCRSID-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(C)CCCCO1 127063445 OGAHJLMVNOCKHP-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CC(C)(C)c1ccc(Nc2c(F)cc(C#N)cc2F)cc1 127420322 CTZMZKQASNEUEF-UHFFFAOYSA-N 286.325 4.878 30 10 CJEE CC(C)CCN(c1c(F)cc(C#N)cc1F)C1CCCC1 127458817 XCPGXXAOFCTUDX-UHFFFAOYSA-N 292.373 4.632 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@@H](NC)CCC2 128531629 FWWDAEYPHKQPEL-SFHVURJKSA-N 276.468 4.836 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CCOC1)NC 130295160 UMNXMCZIWGHDRA-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130470641 NNLNVRHEALJBEG-NVXWUHKLSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CSc2ccccc21 135385969 NMPWENLSKMJBIB-HOTGVXAUSA-N 278.461 4.987 30 10 CJEE CCCc1ccccc1Nc1cccc(SC)c1C#N 136641560 UXOLBSXDDFNXDU-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE C[C@@H]1CC(Oc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H](C)C1 164507005 RBLJJVCLRRDUOZ-QWRGUYRKSA-N 297.320 4.781 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)C2(C#N)CCCCCC2)s1 166294936 IIJQKBYKBSWRMZ-OAHLLOKOSA-N 291.460 4.943 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C)cc1Br 167774416 RSJNUBGKBLUCCA-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1cccc(C)c1 203282819 TXJWYVXFXDZXJI-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](C)[C@@H]2C)C1 217944419 USXFILWMLZHTLL-DISONHOPSA-N 290.495 4.851 30 10 CJEE C[C@H](N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N)C(C)(C)C 222802730 WTDPRHSFNACXDS-XUWVNRHRSA-N 278.484 4.707 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCS[C@@H]1C 232959478 OPSBGSCYOVGPCL-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H](CC)c1ccccc1 234057790 PVEYCIRGOIVDDW-ZWKOTPCHSA-N 259.437 4.905 30 10 CJEE Cc1cc(Cl)ccc1[C@H](O)C1(C#N)CCCCCC1 235765169 WLXVLRXWEMMRJW-HNNXBMFYSA-N 277.795 4.546 30 10 CJEE N#Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)c(Cl)c1 236032618 OPRSAQCBHWLMQA-KBPBESRZSA-N 274.795 4.592 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)C[C@H](C)CC(C)(C)C2)C1 252563731 XMOJDXZNMLLIDV-XYVMCAHJSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)CC[C@H](C)C1 300522652 SCGYWUXYLMISFC-YESZJQIVSA-N 265.441 4.818 30 10 CJEE N#C[C@@H](Sc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 305988168 IWYDBSLTNZHWGM-UOVKNHIHSA-N 277.820 4.760 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1csc(Cl)c1 310561778 KADSLLVGLYOOMJ-SNVBAGLBSA-N 257.830 4.654 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccc(C(F)(F)F)cc2)C1 311367000 SDNWNZKUISZLNK-RISCZKNCSA-N 267.294 4.677 30 10 CJEE C=CCCCCCCNCc1ccsc1Cl 312684779 NXVJLXUGSIQRCX-UHFFFAOYSA-N 257.830 4.628 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@H]2C[C@H]2c2ccccc2)C1 316793482 HYYGCEDGBCQKHL-UBDQQSCGSA-N 256.389 4.576 30 10 CJEE CC(C)CCOCCC1(C=O)CCC(C(C)(C)C)CC1 316799164 ITSXAFCWSMSQCZ-UHFFFAOYSA-N 282.468 4.861 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCCC(F)(F)C1 384888585 SSJMTQBRDZUMJI-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCCCCCCCNC[C@H](C)COCc1ccccc1 389925972 CXHCAHKYQHDRHV-SFHVURJKSA-N 291.479 4.789 30 10 CJEE Cc1cc(Cl)cc([C@H](C#N)Nc2ccccc2Cl)c1 395210967 KGWXZSAUOJHOEX-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC[C@H]2C(C)C)C1 395789903 SYTZLDODGRIERJ-BDXSIMOUSA-N 276.468 4.605 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(F)cc1Cl 398198501 UXJQCLMRUKBXKI-NWDGAFQWSA-N 269.791 4.875 30 10 CJEE CN(C[C@H]1CC2CCC1CC2)CC1(CS)CCCCC1 400212177 QNHGWDUOEALELI-OFLPRAFFSA-N 295.536 4.625 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@](C)(O)c2c(Cl)cccc2Cl)C1 400929819 WEKSLKQWNKTZLP-KMUNFCNLSA-N 298.213 4.531 30 10 CJEE N#CCc1cnc(Cl)c(-c2ccc(Cl)cc2Cl)c1 514263868 UUODARGQYBLERK-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC[C@@H](NC/C=C/c1ccccc1)c1ccco1 552043920 GTDLAXAEDOLZNF-VDZSZVPASA-N 267.372 4.590 30 10 CJEE CCc1ccc(Nc2nccc(C#N)c2Cl)cc1Cl 691235692 YRXXXKICWNYBKH-UHFFFAOYSA-N 292.169 4.566 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C=O)CCC[C@H](C)C1 691806270 HPVKHMNFPVHVBB-GXTWGEPZSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 692227745 SARRTDJKEMXVGB-RDHIYWLCSA-N 275.480 4.926 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCOC1(C)C 693094146 HUQAKRMPHFQPRW-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](Cc1ccns1)NCCC 694601844 OCPNNOYPULOFTR-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE C[C@H](CC1CCCCC1)Nc1ccc(Cl)cc1C#N 694693270 PZHNEMPMBZFDFZ-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCCC[C@@H]1C1CC1 695952173 AXDDQPVKRCCZSD-CVEARBPZSA-N 274.795 4.614 30 10 CJEE C=C1C[C@H]2CC(Nc3cnc(Cl)cc3C)C[C@@H](C1)C2 697309267 NPHMVCHOEARWKW-PBWFPOADSA-N 276.811 4.590 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CCCC(C)(C)CC1 697603427 IAZARGXCVDAAKP-OAHLLOKOSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](C)Oc1ccccc1 700690598 HYCGFUWEEFMKSN-NVXWUHKLSA-N 264.409 4.565 30 10 CJEE CCCC[C@@H](CC)COCc1ccc(C)c(C#N)c1 701861947 XODUVIYIXWHYFX-OAHLLOKOSA-N 259.393 4.600 30 10 CJEE SC[C@H](CSc1ccc2ccccc2c1)C1CC1 701995710 XWPQTMJFYVYTIE-OAHLLOKOSA-N 274.454 4.888 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc(C(C)=O)cc2Cl)C1 703624504 VPCUHIRLVGAKOV-AWEZNQCLSA-N 291.822 4.725 30 10 CJEE CCCCCCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 703723385 MGWOBHHGVHEQBM-UHFFFAOYSA-N 286.322 4.915 30 10 CJEE C=CCCC(C)(C)CNCc1coc2ccccc12 703995927 NEXJPNRKKOTKIK-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE CCCCCCCC[C@H](CCCOC(F)(F)F)NC 713399898 AHLXBGWAOCFLNA-CYBMUJFWSA-N 283.378 4.642 30 10 CJEE C=CCCCCC[C@H](NCC)C1C[C@@H]2CC[C@H](C1)S2 716051106 ZJCIECGYXMMJBM-HMQMGEFJSA-N 281.509 4.775 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)ccc2F)CC1 724588812 LVHBQDQLHFBZFO-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE CC(C)(C)c1ccc(C#Cc2ccc(F)cc2F)cc1 725447411 IWRWRKZRFROVRE-UHFFFAOYSA-N 270.322 4.662 30 10 CJEE CC(=NNc1cccc2ncccc12)c1ccc(Cl)cc1 915964773 NOJHZPLJKGJDNE-UHFFFAOYSA-N 295.773 4.724 30 10 CJEE COc1ccccc1C=Nc1ccc2ccccc2c1 1083911742 WVHQMSSZVFSENE-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE Cc1cccc(C=Nc2ccc(C)c(Br)c2)c1 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291.460 4.817 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@H](C(C)(C)C)C2)cc1 2238172417 AMKGMFFCRPYDLU-YJBOKZPZSA-N 270.420 4.906 30 10 CJEE C=CC[C@H](C)OCc1cccc(CN[C@@H](C)CC)c1Cl 2238949363 PXTWMEWFONAEDK-KBPBESRZSA-N 295.854 4.709 30 10 CJEE CCCCCCCCCOC[C@@H]1NCCC[C@H]1C(C)C 2239487928 VIJDULASDLZYPU-ROUUACIJSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCOCC(=O)c1cccc(F)c1 2239536836 MHRYGWCXCXHMPW-UHFFFAOYSA-N 280.383 4.776 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)c1ccccc1 2240562076 GJZKVWYNKQZSJL-SFHVURJKSA-N 276.468 4.591 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ncccc1C1CC1 2240618086 NSMHGPOBYRGUKY-GOSISDBHSA-N 275.436 4.917 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2240637878 NNHQQBFSHUDGKN-PNKHAZJDSA-N 283.500 4.775 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CC2(CCCC2)O1 2240642076 IRPNKTYZUQMAHL-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCOCC1(C)C 2240642320 LFMXHEKAUQTMKU-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE C=CC1(CN[C@@H](C)CCCCCCCC)CCOCC1 2240642707 PPCVPXSUJLNFCU-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H](CC(C)(C)C)OC 2241931281 KRTIKUCVIXWNRM-SFHVURJKSA-N 289.463 4.516 30 10 CJEE Brc1ccccc1C#CCC1=CCCCC1 2243250592 VURXPHGRVIWAMG-UHFFFAOYSA-N 275.189 4.691 30 10 CJEE C=C(C)CCCCOc1cc(C)cc(Br)c1 2244651233 SYEZBOHPXZOEGR-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE C=CCSc1cc(Cl)sc1CN[C@H](C)CC 2244969158 OLAVEGUJWHOOBA-SECBINFHSA-N 275.870 4.568 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1csc(C)c1C 2246374536 XIQBTBFERMYCGW-XHDPSFHLSA-N 251.439 4.618 30 10 CJEE C=C(C)CC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2247256693 XUNJBULRVVSDPG-OAHLLOKOSA-N 296.252 4.929 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCC[C@@H]2C)CCC1 2251396263 XANCTZKPLULKFS-DZGCQCFKSA-N 251.439 4.630 30 10 CJEE C=C1CC(CCCC[C@H]2C[C@H]2C)(CNCC(C)C)C1 2265786530 ROJOPNSGLOPQMD-SJORKVTESA-N 263.469 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CCC(C)(C)CC[C@H]1N 2268765378 IHGAXPQMEAYFMF-JKSUJKDBSA-N 261.453 4.526 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@]1(C)CN 2271280102 LUTMFNAZKGIKFN-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C#Cc1cccc(NCC[C@H](C)CCCC(C)C)c1 2272299629 WHNMQSKARZRUHU-MRXNPFEDSA-N 257.421 4.932 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cnc(C(C)(F)F)s1 2273563196 YKJNKVKSBXBYTC-WDEREUQCSA-N 288.407 4.508 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1sc(C)cc1C 2273975487 IYJCIUVSFDLHFS-INIZCTEOSA-N 275.461 4.599 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1ccc(Cl)cc1Cl 2273991328 LGACHALQOPCFKB-INIZCTEOSA-N 296.241 4.838 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1sccc1C 2273999682 MXGCFEYZVZUHMV-MRXNPFEDSA-N 275.461 4.681 30 10 CJEE O=C(CC#CC1CCCC1)Cc1ccc(Cl)c(Cl)c1 2274122210 POBXWBGVYDBKAD-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE C=C(C)CCCC[C@@](CC)(CCC(C)C)OCCN 2276145995 UECGLRDDMXOZBW-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCCCC[C@@H](OCCN)c1cc2cscc2s1 2276510898 MMAQZEJZEMVCHO-CYBMUJFWSA-N 295.473 4.726 30 10 CJEE CCCCCCC[C@@](C)(CCC=C(C)C)OCCN 2276760415 BIWFTYVULJHEBF-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCCC[C@H]1C 2276765951 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2285319840 ILSYFUDLOKUSHG-UHFFFAOYSA-N 265.331 4.513 30 10 CJEE C=C(C)CCCCN(C)Cc1ccc(C(C)(C)C)nc1 2287375500 ALZYFNPOVVMUIS-UHFFFAOYSA-N 274.452 4.557 30 10 CJEE C=C(C)CCCC[C@](O)(CCC)c1ccc(OC)cc1 2287404465 XBSVDFVKUJYOFN-GOSISDBHSA-N 276.420 4.819 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1Cc2ccccc2C1 2287414725 RAZKATNXUGFABI-IBGZPJMESA-N 271.448 4.516 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2287466804 RKEFKHHVCIDAID-NNPSNHGLSA-N 275.480 4.783 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cccc(SC)c1 2289616923 PFMSPJNEEIRCSP-SFHVURJKSA-N 287.472 4.643 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Cl)c(F)c1 2289683208 BTTGVUJSRIECDO-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CC[C@H](C)C1 2289898699 HFLQWUBYJRTRSE-PKOBYXMFSA-N 275.480 4.622 30 10 CJEE O=C(CC#CC1CCCC1)c1cc2c(s1)CCCCC2 2289924212 IDFFLDGMJJLIQZ-UHFFFAOYSA-N 286.440 4.783 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)[C@H]1CC1(C)C 2290631090 DCHGORCAABCKDU-HUUCEWRRSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](CCCC(F)(F)F)OCC(=O)O 2290878091 TYJTUDMJTGURHB-GFCCVEGCSA-N 298.345 4.549 30 10 CJEE CCCCCCCCCC1(OCCC(=O)O)CC(C)C1 2291709354 AMNVCAMGALQZCN-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@](C)(OCC(=O)O)C1CCC1 2291810214 SQWFHBSYASXQBQ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@@H](C)C[C@H]1C 2291932098 QTEKCQDGXQSWAJ-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@H]1CC1(C)C 2292795527 HNBDCYQFOCJCNB-SJORKVTESA-N 281.484 4.683 30 10 CJEE C=C([C@@H](CCCCCCCCC)OCCN)C(F)(F)F 2293253437 DETRTPQBNJLDBQ-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)c1nccs1 2293304788 JCILPZXKNAMSSZ-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE Cc1ccc(C=CC(=O)c2ccc(C)c(C)c2)s1 2293385563 FXZSNBPDODLDSZ-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE CCCCCCC[C@H](C[C@H]1[C@H]2CCCC[C@H]21)OCCN 2293564100 OZJSMHXGHGGMCA-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1C[C@@H]1C)OCCCN 2293624578 QTVOYDIHBYBSRU-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](OCCN)(c1cccs1)C1CC1 2293673260 OLGRSOSIHQMERO-QGZVFWFLSA-N 295.492 4.689 30 10 CJEE C=CC1(C[C@](CC)(C[C@@H](C)CC)OCCCN)CCC1 2294560873 ZUIRBJAMIVNOSS-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](C#Cc1ccccc1Cl)NC 2295213807 GNYIHLZDZYKUBB-WMZOPIPTSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)CCCO 2295669200 RHHVUEQZPFRVLW-QGZVFWFLSA-N 285.516 4.904 30 10 CJEE C=C1C[C@@H]1C[C@@](C)(CCCCCCCCC)OCCN 2295688806 JMSUBZNZHQGDOX-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCOc1ccc(C(=O)C=CNc2ccccc2)cc1 2296876097 VZOHGHIVHDSUIE-UHFFFAOYSA-N 295.382 4.674 30 10 CJEE CCOc1ccccc1C=C1CC[C@H](C2CCCC2)C1=O 2297334230 RPNARAYNNNPCBU-QGZVFWFLSA-N 284.399 4.638 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@H](CS)CC(C)C 2308053504 LOJNOGUJTUJUHZ-RBSFLKMASA-N 258.471 4.564 30 10 CJEE C=CCC(CC=C)Sc1sccc1CNCCC 2313699968 WWCDJSPATKRCSX-UHFFFAOYSA-N 281.490 4.861 30 10 CJEE C=CCC(CC=C)Sc1sccc1CNC(C)C 2313700001 XDHARZNEYMKEBV-UHFFFAOYSA-N 281.490 4.859 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@H]1NCC1(C)C 2314070900 FJHDSTFVNUCSRD-HUUCEWRRSA-N 257.437 4.853 30 10 CJEE CCCCC#CC[C@H](N)c1c(Cl)cc(F)cc1Cl 2318358372 UGXUSZYTBMOPRJ-ZDUSSCGKSA-N 288.193 4.716 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@H]1C1CC1 2319633704 VQPXCTRUPBNQSE-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1c(F)ccc(C)c1Cl 2321144933 LSXCMQLCVDKBHR-GJZGRUSLSA-N 269.791 4.780 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C1CC2(C1)CC(C)(C)C2 2321216902 LAJWMKNPPXAJSM-GDBMZVCRSA-N 250.426 4.556 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2cc(F)c(Cl)cc2Cl)O1 2325175624 OSQBDTWVHAUYBK-CHWSQXEVSA-N 288.149 4.656 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCC[C@@H](C)CC1 2338730630 SCPWWYCCMMURDJ-NJAFHUGGSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1CCCC12CCC2 2338741322 MSTCPPAOPYDJSH-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCS1 2338905061 XVAVYPQYBUCNES-HMDCTGQHSA-N 280.477 4.694 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC2(CC(C)C2)C1)NCCC 2344342597 LCBSUJKMTDODHR-AYNPKXBOSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1coc2ccccc12 2344349009 PKCZVPBIQCKLRF-IRXDYDNUSA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)cccc1OC 2344349370 SGHWNUOWLCJZOL-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C[C@@H]1CCC[C@H](N(C)CC2(CS)CC(C)(C)C2)CC1 2345011003 PQXHNRZHWADBGA-CABCVRRESA-N 283.525 4.623 30 10 CJEE C=CCCS[C@@]1(C(=O)O)CCC[C@@H](C(C)(C)C)CC1 2352002676 GCIYRSPHNVGXJT-CJNGLKHVSA-N 284.465 4.746 30 10 CJEE C=CCc1ccccc1OC[C@@](C)(CS)C(C)(C)C 2352096487 YBUMZLDMUJIZCJ-KRWDZBQOSA-N 278.461 4.776 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(F)c(F)c1 2360324350 PARZYWLPRUELPC-WBMJQRKESA-N 299.430 4.703 30 10 CJEE C=CC[C@@H](C)Sc1cc(NCCC)c(C)cc1[N+](=O)[O-] 2360340927 TWKVBOOTSZLCFU-GFCCVEGCSA-N 294.420 4.782 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1CS/C(N)=N/C(C)C 8226583 HDPFOQQDLIMRSH-UHFFFAOYSA-N 292.492 4.557 30 10 CJEE CCCCN(CCCC)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 37146844 TWICXBPUEKINOI-KZNAEPCWSA-N 278.484 4.997 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCS[C@@H]1CCC[C@@H](C)C1 54695156 SDYOXPLEEPQKLF-ZACQAIPSSA-N 296.524 4.749 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(OC)c(F)c1 59291294 HVGREQVRXRTINV-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE Cc1ccc(Cc2nc(-c3ccc(C#N)cc3)cs2)cc1 62938211 LSLJXAOZGMYJDM-UHFFFAOYSA-N 290.391 4.581 30 10 CJEE Cc1ccc(Sc2cc(C#N)c3ccccc3n2)cc1 68796741 YKHOXKUDFGMKQQ-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=CCOc1ccccc1CNCCC1CCC(C)CC1 70547562 PZSAUMIMSHTPQY-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1F 71167746 VQVVYMXBJZICKT-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE Cc1ccc(C)c(-c2cc(CC#N)c(C(C)(C)C)o2)c1 77084788 VITLDYJKEYLNOW-UHFFFAOYSA-N 267.372 4.927 30 10 CJEE CC(C)(C)[C@H]1CCCN([C@@H](CC#N)c2ccccc2)CC1 79342270 YACIRKWVTCLEHR-ROUUACIJSA-N 284.447 4.790 30 10 CJEE CC(C)c1cccc(NC[C@@H](C#N)c2ccccc2)c1 80782229 LIDQWSAEAGZHET-QGZVFWFLSA-N 264.372 4.529 30 10 CJEE N#Cc1cc(N[C@H]2CCC[C@@H](C3CC3)C2)ccc1Cl 81631897 LCFQVWZHEKVPJX-OCCSQVGLSA-N 274.795 4.592 30 10 CJEE N#CC1(Cc2sccc2Br)CCCCC1 83775559 VMLUQTKETQZATI-UHFFFAOYSA-N 284.222 4.527 30 10 CJEE CC1CCC(C#N)(Cc2ccc(Cl)s2)CC1 83776235 BPXYRGJGWMBQRV-UHFFFAOYSA-N 253.798 4.664 30 10 CJEE Cc1ccc(C)c(SCC[C@H](C)CCS)c1 87096158 UGRPJDWMLHQFIM-LLVKDONJSA-N 254.464 4.742 30 10 CJEE CC(C)(C#N)CCOc1cc(Cl)c(Cl)cc1Cl 87595977 YAZCSHXGONSSGB-UHFFFAOYSA-N 292.593 4.965 30 10 CJEE C=CCC[C@@H](NCC)C1CCC(C(C)(C)C)CC1 87987970 SGVMPFVBOYUYFT-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCC[C@@H]1CCCN(CC2(CS)CCCCC2)CC1 94581728 AJJNIMSSAZSQOM-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 97419363 DVXWNBAFCXNHJN-PBHICJAKSA-N 295.854 4.832 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccccn1 103930904 CIETVPGOWQZHFG-MRXNPFEDSA-N 262.441 4.873 30 10 CJEE CCCCCCCCO[C@H](CN)c1ccccc1Cl 103975298 JBDHDPNGEHQOQY-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1nc2ccccc2[nH]1 109954890 IADGLPADBVZKHB-HUUCEWRRSA-N 287.451 4.963 30 10 CJEE CCCCCCCCO[C@@H](CC)CNC(C)(C)C 110171116 HIBRBURFUWDWBJ-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCOCc1cc(C)c(CNCCC)o1 110171310 VSAVRAYGCZKBGY-UHFFFAOYSA-N 295.467 4.965 30 10 CJEE N#Cc1ccc(Cl)cc1NC12CC3CC(CC(C3)C1)C2 110251206 HRHRAEBIKDZCGH-UHFFFAOYSA-N 286.806 4.592 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(C)ccn1 111763135 XTRSZLGOJMLSMF-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc2nccnc2c1 112320150 FWWPRJMKBFJFAO-INIZCTEOSA-N 285.435 4.641 30 10 CJEE CCCCCCCCCC(=O)N(C)c1ccc(C#N)cc1 115857531 YJQFGPHOLHQGFA-UHFFFAOYSA-N 286.419 4.662 30 10 CJEE CCCCCCC[C@H](N)C(CC)(CC)N(CC)CC 118169857 OXUHIOAUKRPGJR-INIZCTEOSA-N 270.505 4.575 30 10 CJEE CCCCCCC[C@H](NN)c1ccccc1C(F)(F)F 122314064 HUXLGTMUTVHBLR-AWEZNQCLSA-N 288.357 4.570 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(Cl)ccc1OC 122397960 LXFSQDWYPNNQED-HNNXBMFYSA-N 298.858 4.604 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1nccn1C 122605441 ZVRZIQKSXAIYSJ-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCC[C@H](NCCC)c1cncc(F)c1 124040204 LLCNGNOPDFMTER-INIZCTEOSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCCn1c(Cl)nnc1CC 124899956 KJSSUILEMCEVLI-UHFFFAOYSA-N 271.836 4.635 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1COc2ccccc21 124904067 XJYZGKCHIXBEGY-QZTJIDSGSA-N 289.463 4.891 30 10 CJEE Cc1cc(Nc2ccc(OC(F)(F)F)cc2)ccc1C#N 126823162 UQUJPWOOHXICRL-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE CCCC[C@H](CC)COc1ccc(C/C(C)=N/O)cc1 127063435 FVIMNQUKIYIJKT-JZBMNUFDSA-N 277.408 4.674 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc2c1OCC2 133413193 NRTDETFSBNZTSE-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE Cc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)s2)c1C 134959720 UTSBLRMHCYLYJS-KBPBESRZSA-N 284.428 4.648 30 10 CJEE CCSc1cccc(Oc2ccc(F)c(F)c2)c1C#N 136712670 YADYNXOUOPQZTO-UHFFFAOYSA-N 291.322 4.741 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(C)nn1CC 143449844 YTXJDZZFIDJSGQ-INIZCTEOSA-N 279.472 4.742 30 10 CJEE C=CCCC[C@H]1C[C@H](CC)CC[C@@H]1CNCCC 156060534 KIHAWMRVXKLKAI-IXDOHACOSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](CCC)OCC 159787413 JZMVLTPLVYFNJK-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@H](O)C1(OCC)CCCC1 159851365 KFIKWDSIKHANLV-INIZCTEOSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CCCS1 161106497 NPQUVCKYIBZSHC-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C[C@H](CCCC(F)(F)F)Nc1ccc(Cl)c(C#N)c1 163277947 KUBYDPSRBCBKJH-SECBINFHSA-N 290.716 4.745 30 10 CJEE CCc1cccc2ccn(Cc3ccc(C#N)cc3Cl)c12 163796621 PAWNNEBFYYGFJX-UHFFFAOYSA-N 294.785 4.777 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1 163900158 YYINSITYRFLXDH-NSHDSACASA-N 290.288 4.750 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccn(C(C)C)n1)NC 168576161 POXWBNCYJGPHNE-KRWDZBQOSA-N 293.499 4.735 30 10 CJEE Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2ncccc2c1 183314836 ATALBRLYCRJPBQ-AWEZNQCLSA-N 287.366 4.588 30 10 CJEE CCCCCCCCOC[C@H](NC)c1cccc(C)c1 203282809 TXJWYVXFXDZXJI-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1cc(C)nn1C 229569306 QLUZSFRULMNYLI-KRWDZBQOSA-N 293.499 4.519 30 10 CJEE C=CCCCCCC(=O)[C@]1(OCC)CCC[C@H](C)C1 233756431 VGJABFQVZLFDAF-RDJZCZTQSA-N 266.425 4.677 30 10 CJEE CN[C@@H](C)c1cccc(SCCCCC(C)(C)C#N)c1 234466075 NNGDJOWZXALKSN-AWEZNQCLSA-N 290.476 4.779 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(C)c1Br 235809699 LVCRNOATVNNPDA-CQSZACIVSA-N 296.252 4.894 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)cc1Cl 235910162 KHPCXUZERAMOLF-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C[C@H](C#N)[C@@H]1CCCCC[C@H]1c1ccc(N(C)C)cc1 251040740 OFLWFTNDVSBUID-JLSDUUJJSA-N 270.420 4.576 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)CC1 251784226 NGBHPDVBMMUGNH-VSZNYVQBSA-N 290.495 4.853 30 10 CJEE ON=C1CCCc2c1[nH]c1ccc(C3CCCCC3)cc21 252606303 GQRWSXFTPZYCRR-UHFFFAOYSA-N 282.387 4.730 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2N1 253166367 SHNWBHMJLGMYFG-ZACQAIPSSA-N 279.468 4.617 30 10 CJEE CC(C)(C#N)C[C@@H]1CCCC[C@@H]1[C@@H](F)C(F)(F)F 261164134 WXOQGYCCBZHAFZ-GARJFASQSA-N 265.294 4.633 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2c(F)cccc2Cl)c1 308123000 QMMHFRPCJNNSBM-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCC[C@@H](C)N(C)CC1(CS)CCCCCC1 311234319 SIRLTJYFOVZICG-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCCCC1CCC([C@@H](N)CC#CC(C)(C)C)CC1 311337321 MBWFGSQGXJXKQN-JCYILVPMSA-N 263.469 4.750 30 10 CJEE CCCCCCCC[C@H](NCCC)c1coc(C)n1 311376254 LFORFDDVNQESLK-HNNXBMFYSA-N 266.429 4.774 30 10 CJEE Cc1cc(N[C@H](CC#N)c2ccccc2)c(Cl)cc1F 312867621 ZKKMZPSVZFJKCX-OAHLLOKOSA-N 288.753 4.854 30 10 CJEE CC(C)(C)c1ccc(C[C@]2(C=O)C[C@H]3CC[C@H]2C3)cc1 316741311 LXCXYQCIUDVPTI-VDZJLULYSA-N 270.416 4.532 30 10 CJEE CC(C)c1ccc(C[C@]2(C=O)CCCC[C@H]2C)cc1 317432551 PQZXDGBYEAXFMH-QAPCUYQASA-N 258.405 4.748 30 10 CJEE C#CCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1 318196808 MTJFOXJLVREFDW-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CCC[C@](C#N)(Nc1ccc(Cl)cc1)C1CCC1 322492124 YSNQIFZZDRAPFS-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCCCCCCCCCC[C@H](O)c1c(C)cnn1C 380036168 LKCYUDYMVDRHRC-INIZCTEOSA-N 280.456 4.683 30 10 CJEE C=CCCCCCCNCc1cccc(OC(C)C)c1 380382289 UNQUKKOXWLWPBJ-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(F)ccc1Cl 381235627 JHSMAQPFKPCIKT-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)[C@H]2CC3CCC2CC3)cc1 381564330 WZAFEXVZIANWHG-RLNQZENFSA-N 268.404 4.516 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccc(C(F)(F)F)cc2)C1 382161065 HUBDIHQRZIGHOY-RISCZKNCSA-N 267.294 4.677 30 10 CJEE CCCC1CCC(C#N)(c2nc(C)c(C)s2)CC1 384965279 JNCAIJUSEQNNQE-UHFFFAOYSA-N 262.422 4.512 30 10 CJEE C=C(C(F)(F)F)[C@]1(O)CCCC[C@H]1C1CCCCC1 388541225 RJAGHWUTZXDZNG-UONOGXRCSA-N 276.342 4.607 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)[C@H]1NCC 389353732 ZKRQRDUONWXAJJ-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CC1([C@H](O)C2(C#N)CCCCCC2)CCCCCC1 394679882 XSAFUEQFFSIAQC-HNNXBMFYSA-N 263.425 4.572 30 10 CJEE N#CCc1cc2sccc2c(Cl)c1C(F)F 396190629 NQKBXYWAGJKJDT-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@H]1CCCN1 400405048 RAPSMLLKHPIDCG-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE CC[C@@H](OCc1ccc(C#N)cc1C)c1ccccc1 403206052 OMIWYGYTDXMBTN-GOSISDBHSA-N 265.356 4.535 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C)cc2Cl)C1 404562824 VHAVILJIBLKWPG-KBRIMQKVSA-N 291.822 4.792 30 10 CJEE N#C[C@@H]1CC[C@H]([C@H]2C[C@H]3CCCc4cccc2c43)C1 442761233 BTANJKAROJMJHD-DUFGSWQCSA-N 251.373 4.534 30 10 CJEE CSc1cc(F)cc(C(F)(F)F)c1C(F)(F)F 575340206 RBDGDCDPKWDYIF-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE C#CCCCCCn1ccc2cc(Br)ccc21 686689941 YHOFPKHYWMWNJQ-UHFFFAOYSA-N 290.204 4.597 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C(C)C)nc(Cl)n1 692249925 AWWGVJKBVUOVOL-STQMWFEESA-N 293.842 4.800 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CC(F)(F)F 694028991 YUXOETNKHUFWLR-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@H]1CCNC1 695294243 JJUQWAPNSYSBPL-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)c1cc(Cl)ccc1C#N 696192802 ANMKBQAHIVPMIK-CYBMUJFWSA-N 288.822 4.618 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)c(CC)c3)C[C@@H](C1)C2 697294687 FRVZCFYWLGNJGK-VMZNBEPHSA-N 273.395 4.935 30 10 CJEE C=C1C[C@H]2CC(N[C@H](CC)C3CCCC3)C[C@@H](C1)C2 697314883 IGNXIHCQLGFFLD-HLVPYZJISA-N 261.453 4.680 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccccc1C(F)(F)F 701920838 SEDMSMYWSKFKBM-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 704024415 WJDJLSQMGLGRLE-IXDOHACOSA-N 263.469 4.927 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCC[C@H]1C(C)C 704039009 SXABHUJXDMGASV-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H]3CCC[C@H]32)c1C#N 707845814 MLCCICKWVUEVSR-WOSRLPQWSA-N 286.444 4.661 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708028495 HNOIMQQCAQCHBG-GXFFZTMASA-N 255.283 4.605 30 10 CJEE CSc1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1C#N 708331090 SXGCBBWAGMQHRD-QWHCGFSZSA-N 288.460 4.907 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H]2CC[C@@H](N2)[C@H]1C 709335406 ULHRJVVGMBYORK-VQHPVUNQSA-N 269.448 4.996 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1C[C@H]1OC 709673262 TXKIPBRHSAGXKP-NVXWUHKLSA-N 268.441 4.901 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CC[C@H](CC)C1 710633374 HSUSRBLRTUOKDS-GJZGRUSLSA-N 257.849 4.571 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H](C2CCCC2)C2CCC2)N1 711838683 BEHWIVQKDILMLT-DOTOQJQBSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](NC1CCC1)c1nc(C)cs1 712351536 CHXXRGHFKHZXIA-OAHLLOKOSA-N 280.481 4.995 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCCC2)CS1)c1ccco1 713193918 LJMLOQQJBMNHSE-ZDUSSCGKSA-N 292.448 4.516 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCC2)CS1)C1CCCCC1 713213474 FSJUDUXLZPGGRW-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714493108 UFQFTDKJJZZLQL-IXDOHACOSA-N 260.421 4.746 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 715732597 KSRKKSSJLYUWJU-WFASDCNBSA-N 285.353 4.877 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC2(CCC2)CO1 716532933 MRKBMAUBSYDNJY-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCCC[C@@H]2C)CC1 724553208 HAYVOGFBDGGDMT-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CC[C@H](C)C2)CC1 724590521 WQCVCSWIVRBMES-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE C#CCCCSCc1ncc(-c2cccc(Cl)c2)o1 766738706 SOVHMSOZKBXPNR-UHFFFAOYSA-N 291.803 4.642 30 10 CJEE CC(=NNc1cccc(Cl)c1Cl)C1CC(F)(F)C1 863119967 JWHICTOLXSTRGF-UHFFFAOYSA-N 293.144 4.827 30 10 CJEE CC(C)c1ccccc1N=Cc1ccc(N2CCCC2)o1 1084279237 ZOHGMKYLVFWEBP-UHFFFAOYSA-N 282.387 4.754 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 1125520484 BWUZHLWPLDDDEG-KXBFYZLASA-N 285.431 4.636 30 10 CJEE C#CCN(C(=O)c1ccc([C@@H](C)CC)cc1)C1CCCCC1 1125641637 GRLQJQQIRMECLN-INIZCTEOSA-N 297.442 4.608 30 10 CJEE C=CCCCCCN(C)C(=O)C1(C)CCCCCC1 1126325390 QDTGAMVPQSXTCD-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H]1CCC[C@H]1c1ccc(C)cc1 1128322294 WHZYJUNTAZHRBM-NJAFHUGGSA-N 286.415 4.777 30 10 CJEE C=CCN(Cc1ccc(C2CC2)c(C2CC2)c1)C1CC1 1180708094 QEBPUCSVGMHREM-UHFFFAOYSA-N 267.416 4.592 30 10 CJEE CCCCCCCCCCN1CCS[C@H](C)[C@H]1C 1191022459 SMIPIUDGTJAFMO-HZPDHXFCSA-N 271.514 4.953 30 10 CJEE C=CC(C)(C)CCCNCc1cc(C(C)C)ccc1O 1207448636 LPEQYZOIEZEGMW-UHFFFAOYSA-N 275.436 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 1289567373 XRZZBTGYAUXASF-MDZDMXLPSA-N 281.330 4.511 30 10 CJEE C=CCC1(C(=O)N2CCc3cc(CC)ccc32)CCCCC1 1289691619 QHAQVJSQLFAHCN-UHFFFAOYSA-N 297.442 4.665 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1sccc1-c1ccccc1 1357587192 ORBMEDYFLJCMHM-AWEZNQCLSA-N 299.439 4.890 30 10 CJEE C=CCCCCCCNc1nc2cccc(F)c2s1 1458362139 GWUKUBPPKZAFFF-UHFFFAOYSA-N 278.396 4.984 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1Nc1ccccc1 1466299060 KRHCKRGJYCFOOY-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 1469927901 WKMIKUYWYQXKPR-DLBZAZTESA-N 277.452 4.574 30 10 CJEE C=CCC(C)(C)CNC1CC(Sc2ccccc2)C1 1474543836 FZJPIWRGJABZPD-UHFFFAOYSA-N 275.461 4.502 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(C)cc1Cl 1520156517 KWNQCNOTXNZHCY-CQSZACIVSA-N 286.202 4.843 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](C)c1cc2ccccc2s1 1523195988 ZPNMXOZJTVLYLN-STQMWFEESA-N 287.428 4.681 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 1525703107 OYKSVCAJPZAHFC-LZLYRXPVSA-N 285.431 4.589 30 10 CJEE C=CC[C@@H](C(=O)Oc1cccc(C2CC2)c1)c1ccccc1 1526087588 JIAYUAPYAFYDMF-LJQANCHMSA-N 292.378 4.829 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCCc1ccc(C2CC2)cc1 1526896742 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SYKXNKCOZBNISA-GFCCVEGCSA-N 276.792 4.836 30 10 CJEE CC(C)(C)c1ccc(S[C@H]2CCC[C@H]2C#N)cc1 37156524 FZLCRERGFQOEBJ-WFASDCNBSA-N 259.418 4.768 30 10 CJEE N#Cc1cc(N[C@@H](c2cccs2)C2CC2)ccc1Cl 42329987 RTGPWQLWMBPKPZ-OAHLLOKOSA-N 288.803 4.836 30 10 CJEE CC(C)c1ccccc1OCC[C@H](C#N)c1ccccc1 57684628 UFQLPOWNIKGFDB-QGZVFWFLSA-N 279.383 4.886 30 10 CJEE Cc1ccc(C)c(C[C@@H](C#N)c2cccc(Cl)c2)c1 57759878 KAZDHLSOJUBAAZ-INIZCTEOSA-N 269.775 4.807 30 10 CJEE CCCCCCCNc1cc(Cl)ccc1C(=O)OC 59423060 ZMOGCOSWMMNIBJ-UHFFFAOYSA-N 283.799 4.509 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C2CCCCCCC2)cc1C 86580147 CGQATDNGBHNACH-GOSISDBHSA-N 283.415 4.840 30 10 CJEE CC[C@@H](C)c1ccccc1OCC(C)(C)CS 94583209 AFLUTMZYUUNUBH-GFCCVEGCSA-N 252.423 4.535 30 10 CJEE COc1ccc(OCC[C@@H](C)CCS)c(C(C)(C)C)c1 94583371 KYXMCEBDESPJNR-CYBMUJFWSA-N 296.476 4.718 30 10 CJEE C=C(C)CC[C@@H](CCc1ccccc1C)NCCC 97419670 YOWQKIKEOCLBJD-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CC(C)n1cc(OCCCCCCCCCS)cn1 97799888 KAZJTKQJMCAHIO-UHFFFAOYSA-N 284.469 4.503 30 10 CJEE CCCCCCCCC(=O)Cc1ccccc1F 103940559 DAJPFHXGEYWTGY-UHFFFAOYSA-N 250.357 4.688 30 10 CJEE CCCCCCCSCc1cccc(C(N)=S)c1 104723847 NCZVKWMBPNIKMT-UHFFFAOYSA-N 281.490 4.524 30 10 CJEE CCCCCCCNC[C@@H](c1cccs1)N(CC)CC 106351636 AAHXKVKQOGGQMA-INIZCTEOSA-N 296.524 4.691 30 10 CJEE CCC#CC[C@@H](C)c1cccc(Br)c1C 107511160 XXRPJMZLDRLAKA-LLVKDONJSA-N 265.194 4.665 30 10 CJEE CC[C@H](C[C@@H]1O[C@H]1C)c1ccc(Cl)cc1Cl 107533761 YSVLEZVUODVYRX-RWEMILLDSA-N 259.176 4.664 30 10 CJEE COc1c([C@H](C)CCC#N)cc(C)cc1C(C)(C)C 107671716 IVLXDSMRCYBJTM-CYBMUJFWSA-N 259.393 4.708 30 10 CJEE CCCCCCCCCCCC(=O)NCc1cccnc1 109333142 UMJRJGDWSSYSKY-UHFFFAOYSA-N 290.451 4.619 30 10 CJEE CCCCCCCO[C@@]1(CNCCC)CCC[C@H](C)C1 110067908 XFNCPQUQALFBDE-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCc1ccccc1Nc1ccc(C#N)cc1Cl 110253159 CNCGNMBSCKAUNJ-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265671 HKVQURPZOQSSOI-IXDOHACOSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CCC[C@H](SCCCOc2ccccc2C#N)C1 110354856 GYNULBVRKPSCRT-ZBFHGGJFSA-N 289.444 4.639 30 10 CJEE CCCCCCCCCCCCNCC1CCOCC1 111162859 QKJBBFWQUGVTGK-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE N#Cc1ccc(OC[C@@H]2CCCc3ccccc32)c(Cl)c1 111342839 NXEKELGEEVQCJE-HNNXBMFYSA-N 297.785 4.711 30 10 CJEE CCCCCCC[C@](C)(CN)Nc1ccc(Cl)cc1 115027488 KYGMAZLAOUYTPO-MRXNPFEDSA-N 282.859 4.830 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cnn(C)c1 115688971 ZUMYNVICHCKSJV-KRWDZBQOSA-N 279.472 4.731 30 10 CJEE CCCCCCCCn1ccc([C@@H](CC)NCC)c1 118242966 ZWGYVAHGLTUAQJ-QGZVFWFLSA-N 264.457 4.909 30 10 CJEE Cc1ccc(Oc2cccc(C#N)c2N)c(C(C)(C)C)c1 125733752 SAFLWDPBMOQLKE-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(Cl)cnn1CC 126155281 AYZMKBWFNOSXSH-CQSZACIVSA-N 285.863 4.568 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1cc2ccccc2s1 126377026 ZYWIWSGZFMYTBB-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE C=CCN(c1ccccc1[C@H](CC)NCC)C(C)(C)C 127795654 CTWUNDMHVGOADJ-INIZCTEOSA-N 274.452 4.538 30 10 CJEE CC(=O)c1ccc(C#N)cc1SCc1cc(C)cc(C)c1 131401506 UXDKTOCELCPYAH-UHFFFAOYSA-N 295.407 4.670 30 10 CJEE C=CCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 133179833 HTOGHWBPIZKTNF-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CC(C)(C)c1c(C#N)oc2cc(F)c(Br)cc12 136669583 KMMMONQUIIWRQQ-UHFFFAOYSA-N 296.139 4.504 30 10 CJEE CCCCCCCC(=O)[C@]1(OCC)CCC[C@@H](C)C1 159845841 ZPEFKIKCUDQUJC-WBVHZDCISA-N 268.441 4.901 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Nc2ccc(F)cc2)c2ccccc21 163861773 ZATHVKOKTOSTGA-ACJLOTCBSA-N 280.346 4.554 30 10 CJEE CCC(CC)[C@@H](C)Nc1cccc(Br)c1C#N 168545197 XWFIJOAFCCHFTG-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE CCCCCCCCCCNc1cc(C(=O)O)ccc1N 211687582 FLCXOGKQYGPACL-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE Cc1cccc(C#N)c1Nc1c(Cl)cccc1Cl 221074379 YOYFOEQAHFOKHL-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCC[C@H](Cc1nccn1CCC)NC 228649194 MTZFKSILSAHHBE-QGZVFWFLSA-N 293.499 4.564 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2c(s1)CCCC2 229737054 KVSUBXYILQLYJN-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCN[C@H](CCO)C(C)(C)C 231074217 OLCOZLBCEQDZBQ-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE O=C(C=C1CCCCC1)c1cc2cc(F)ccc2o1 236207758 VBMMEZPAFRJAKY-UHFFFAOYSA-N 258.292 4.645 30 10 CJEE O=[N+]([O-])c1ccc(F)c(N=Cc2cccc3ccccc23)c1 254313491 UBLOIFODPCULFA-UHFFFAOYSA-N 294.285 4.638 30 10 CJEE N#CC[C@H](c1ccccc1C1CCSCC1)C1CC1 260680069 UZCCKERLWJREEY-INIZCTEOSA-N 271.429 4.704 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1 308054832 LTVQJKIFFBTNQK-GOEBONIOSA-N 291.822 4.979 30 10 CJEE SCCCCCCCCCN1CCC2(CCC2)CC1 308743598 PHFQFFAPBNXKBY-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE CCCCCCCC[C@@H](O)c1c[nH]c2ccccc12 311571082 FTSXEDQWHIZQSA-QGZVFWFLSA-N 259.393 4.952 30 10 CJEE CCCCCCCCCCNc1nc([C@H](C)OC)ns1 312371928 PXBQWBDUTABFLA-ZDUSSCGKSA-N 299.484 4.798 30 10 CJEE C=C([C@H](NCCC)[C@H](CC)c1ccccc1)C(F)(F)F 312967624 ONROYJZSFVTQKE-CABCVRRESA-N 285.353 4.667 30 10 CJEE N#Cc1cc(N[C@@H]2CCCCC23CCCC3)ccc1F 313104997 NUSHXBXTRRKWQC-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CCCCCCCCC[C@@H](CCC1CCOCC1)NC 313522819 LYYJACFFYNDTPZ-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316784514 WDZADCWGMSJDOI-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCCC2(F)F)CC1 317129134 ICAPTYXKWQBARZ-SLTAFYQDSA-N 272.379 4.988 30 10 CJEE CCc1ccc(C[C@]2(C=O)CCC[C@H](CC)C2)cc1 317623952 UTOMGYLJOPVWRD-WMZOPIPTSA-N 258.405 4.577 30 10 CJEE CCCCCCCCCCCCC(=O)CN1CCCC1 328256039 KGNBLHWMHFVUIB-UHFFFAOYSA-N 281.484 4.962 30 10 CJEE CCCC(CS)(CCC)CN1[C@H]2CCC[C@H]1CC2 380732682 KLANTUWNCQYLLD-GJZGRUSLSA-N 269.498 4.520 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCC[C@H](C(C)(C)C)CC1 385128171 GSBYZHRCROVAFD-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CCCCCNCc1cccc(Oc2ccccc2)c1 385752805 PKWGQCLMULKRPM-UHFFFAOYSA-N 281.399 4.925 30 10 CJEE CCCCCCCCCCCCNC[C@@H](CC)N(C)C 388778309 GKCBNJVWFOMTRD-GOSISDBHSA-N 284.532 4.837 30 10 CJEE N#C[C@@H](CSc1cccs1)C1CCCCC1 397290715 IEMJUJDRJWBLLG-LBPRGKRZSA-N 251.420 4.560 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21 398196637 UEJDNIMOTGJFLS-MPGHIAIKSA-N 257.421 4.959 30 10 CJEE CC(C)c1cccc(N=C2N[C@@](C)(C(C)C)CS2)c1 398503095 ITVOMURJMRXYPA-MRXNPFEDSA-N 276.449 4.549 30 10 CJEE CC(C)[C@]1(C)CS/C(=N/C2CC(C)(C)CC(C)(C)C2)N1 398536138 JCJKUBGLARUSQD-KRWDZBQOSA-N 296.524 4.698 30 10 CJEE C[C@@](C#N)(C[C@H]1Cc2ccccc2S1)c1ccccc1 405683722 UUNWKTMOUHVUOA-AEFFLSMTSA-N 279.408 4.575 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 457278102 LGPHEQAAHGUUTB-AEFFLSMTSA-N 297.442 4.733 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCCCC[C@H]1C 505011746 ZQEULMJPPALLNV-OAHLLOKOSA-N 286.419 4.602 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC)[C@@H](C)C(C)C 505036781 ZIKMJELVNDRVRC-HNNXBMFYSA-N 288.435 4.704 30 10 CJEE CCCCCCCCCCC[C@H](CCCOCC)NN 689380776 JMKZVHQLAYYHGR-QGZVFWFLSA-N 286.504 4.556 30 10 CJEE CCSc1cccc(NC[C@@H](C#N)C2CCCC2)c1 690119628 HEFHETXNMNIPAY-CQSZACIVSA-N 274.433 4.540 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCSc1ccccc1 692241352 STXYZUIPWCORMJ-RDJZCZTQSA-N 275.461 4.503 30 10 CJEE CCC[S@@](=O)N=C1CCCCCCCCCCC1 692999457 ICULPAWDVDBTIK-GOSISDBHSA-N 271.470 4.806 30 10 CJEE C[C@H](CCC#N)Nc1ccc(Oc2ccccc2)cc1 695788800 AOMPHYMROXNLJK-CQSZACIVSA-N 266.344 4.583 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccc(F)c1N 696114826 QSRDVGDSTYSURA-MRXNPFEDSA-N 281.415 4.972 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)cc(OC)c1 698720801 HLMAMWVEZLXOIT-OAHLLOKOSA-N 269.816 4.709 30 10 CJEE Cc1cc(C#N)ccc1N1CCC(C)(C)CC(C)(C)C1 699714166 KXGKTCZAMSTJMH-UHFFFAOYSA-N 270.420 4.519 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(C)cc(C)c1 703989155 MRWJPRNPUJCDIG-INIZCTEOSA-N 259.437 4.946 30 10 CJEE C=C(Cl)CC(=O)c1ccc(OCc2ccccc2)cc1 710616690 LKJAQVKWHBRFMR-UHFFFAOYSA-N 286.758 4.591 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1CCCc2sccc21 710640226 YEUCRFVVYUSJRB-GXTWGEPZSA-N 283.868 4.679 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C1CCCC1)C1CCC1 711846417 RYFYQBQBWJYUEI-SFHVURJKSA-N 268.404 4.638 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 712544542 ONTZIKGYKNLDTD-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCN1Cc2cccc(Br)c2C1 713214404 LPQZPQUQCKQKMT-UHFFFAOYSA-N 296.252 4.735 30 10 CJEE C=CC[C@@H](C)C1(C(=O)O)CCC(CCCC)CC1 715045600 HPRQDYFXYKJYQI-VQCLRJIVSA-N 252.398 4.650 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)cc(Cl)c1 715768038 HGCFHNRWPIYNEH-XJKSGUPXSA-N 265.828 4.901 30 10 CJEE C=CCCCCCC1(CNC(C)C)C[C@H](C)O[C@@H](C)C1 724226631 KACNWQBNRNXNGW-IRXDYDNUSA-N 281.484 4.695 30 10 CJEE CCCCCCC[C@H](CC1C[C@H](C)O[C@@H](C)C1)NC 724502795 BLQPSSLEBSSJGT-YQQAZPJKSA-N 269.473 4.529 30 10 CJEE C=C1CCC(CNc2c(F)cc(F)cc2Cl)CC1 724541893 FAFPNNVFGXOQRU-UHFFFAOYSA-N 271.738 4.777 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccccc2SC)CC1 724548568 DSDFWONNWALMRK-OAHLLOKOSA-N 261.434 4.545 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCCC[C@H]2C)CC1 724553206 HAYVOGFBDGGDMT-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc3c(s2)CCSC3)CC1 724603554 XFGHSJBYOOVVGE-CQSZACIVSA-N 293.501 4.674 30 10 CJEE C=CCCCNCC(Cc1ccccc1)Cc1ccccc1 1181410966 VDPGTVLMIIJYEX-UHFFFAOYSA-N 293.454 4.644 30 10 CJEE C=C(C)CN(CCCSCC(C)C)Cc1ccccc1 1194052477 VUFFZXKGARTTOW-UHFFFAOYSA-N 291.504 4.844 30 10 CJEE C=C1CCC(CNCc2cccc(SCC)c2)CC1 1203602913 MIGMFYQDEVACLY-UHFFFAOYSA-N 275.461 4.635 30 10 CJEE C=C(C)CCN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1205883173 SJIOQOZPGTUPGN-ZBFHGGJFSA-N 263.812 4.532 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CC2 1206342904 MWKXABMISGWVRR-VSZNYVQBSA-N 261.453 4.703 30 10 CJEE C=C[C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1 1290083605 JTUDENRPUJOHIT-CQSZACIVSA-N 285.774 4.557 30 10 CJEE C=CCCC[C@@H](C(=O)Oc1ccc(F)cc1)c1ccccc1 1348375530 WASOJQWJZNYZLM-GOSISDBHSA-N 298.357 4.871 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CCC1CCCCCC1 1358106561 PWTQWRPPHBFGRS-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)CCC1 1457117629 UZQSSSJCYWBZSA-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=CCCCCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 1459718525 RIHVSUOPSCMXGC-KRWDZBQOSA-N 282.431 4.704 30 10 CJEE C#CCCN[C@H](c1ccc([C@H](C)CC)cc1)C(C)C 1459727802 AFNJUNRYHRLCJB-QAPCUYQASA-N 257.421 4.510 30 10 CJEE C=CCCCN[C@@H](c1ccc(Cl)cc1)C(C)C 1460113632 VHSWYTHHJOORGM-OAHLLOKOSA-N 251.801 4.593 30 10 CJEE C=CCCC(C)(C)CNc1ncncc1-c1ccccc1 1472850485 MHBRHVMQJFMZGC-UHFFFAOYSA-N 281.403 4.548 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1C(C)=CCC[C@@H]1C 1474334749 ZBGJXDVZIROYKN-PKOBYXMFSA-N 269.432 4.667 30 10 CJEE C=CC(C)(C)CC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1519983451 DAIXLBCQMPBCIP-GJZGRUSLSA-N 279.468 4.557 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)Cc2ccccc2C)CCCCC1 1527448089 AREPNNVYUKYTOL-KRWDZBQOSA-N 299.458 4.569 30 10 CJEE C=C1CCC(C(=O)NC2(c3cccc(C)c3)CCCC2)CC1 1528030905 XBWVCWAYGIATHU-UHFFFAOYSA-N 297.442 4.627 30 10 CJEE C=CCCC[C@@H](C(=O)N1CC[C@](C)(CC)C1)c1ccccc1 1533747065 WNRBPCJMXCZRML-QUCCMNQESA-N 299.458 4.775 30 10 CJEE C[C@]1(c2ccccc2-c2ccc(C(F)(F)F)cc2)CO1 1536114353 IUKPLBQXDBBETO-OAHLLOKOSA-N 278.273 4.618 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1538741609 KPCOKWNITSWFBR-HUUCEWRRSA-N 279.468 4.700 30 10 CJEE C=CCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CCCCC1 1543770991 WLWVCGLVRZHRQL-HNNXBMFYSA-N 277.452 4.550 30 10 CJEE C=CCN(C(=O)C[C@H](C)c1ccc(CC)cc1)C(C)(C)C 1586474555 LWVGSCXTNKRDNM-HNNXBMFYSA-N 287.447 4.556 30 10 CJEE C#Cc1cccc(N(CC2=CCCC2)Cc2ccccc2)c1 1616287522 ORFNXURVPJDPLV-UHFFFAOYSA-N 287.406 4.785 30 10 CJEE C=C(C)COc1cccc(NC/C=C\c2ccc(F)cc2)c1 1620844909 RFVCQPFALVNTJF-PLNGDYQASA-N 297.373 4.906 30 10 CJEE C#CCCOc1ccc(CN[C@H](CCC)C2CCCC2)cc1 1620967096 RQQRFMRLUSTZTR-HXUWFJFHSA-N 299.458 4.537 30 10 CJEE CC#CCN(Cc1ccc(-c2ccccc2C)s1)C(C)C 1641631321 KKYYLKTVGLWDGH-UHFFFAOYSA-N 297.467 4.957 30 10 CJEE C=C(CC)CN(Cc1ccc(F)cc1Cl)CC1CC1 1643060014 LJVCOIJNCODBCA-UHFFFAOYSA-N 281.802 4.657 30 10 CJEE C=CCCCCSc1nc(C2CC2)n(-c2ccccc2)n1 1651648561 XDKPMPNVCNNMQP-UHFFFAOYSA-N 299.443 4.593 30 10 CJEE CC(C)[C@H](CNC[C@H](C)CCC#N)c1ccc(Cl)cc1 1652413032 FXLUMXSUXQYPCJ-PBHICJAKSA-N 292.854 4.609 30 10 CJEE C=CC[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 1654177863 MOZRFQLOVPQGIG-SFHVURJKSA-N 279.427 4.670 30 10 CJEE C=CCCC[C@H](C)NC(=O)N(C)C[C@@H](C)C1CCCCC1 1680750725 OJMVTSHYWRUIGA-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C/C(=N\OCc1ccccc1C)c1cccc(Cl)c1 1857937764 JFSKMVAVPGBDRM-QGOAFFKASA-N 273.763 4.589 30 10 CJEE C/C(=N\OCc1ccc(Cl)cc1)c1cc(F)ccc1F 1857937783 KCYQETMPANBFOS-VXLYETTFSA-N 295.716 4.559 30 10 CJEE C=C(C)CSc1nc(-c2ccc(OCC)cc2)cs1 1860802552 LCFLZMLSRHGMDG-UHFFFAOYSA-N 291.441 4.877 30 10 CJEE CCCCCCCCCCNC(=O)CC1CCSCC1 1866194938 PVTMPZQGMSLFQY-UHFFFAOYSA-N 299.524 4.777 30 10 CJEE C#C[C@@H](NCCCCCCCCCCCC)C1CC1 1878502504 GGVBEAOVFAPMRT-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CC#CCCCC1(CNC)CC(C)(C)CC(C)(C)C1 1879645927 AMKMIRYMGPNMBV-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=C1CCC(C[C@]2(O)C[C@@H]3CCCC[C@]3(C)C2)CC1 1886401396 FLZOBKQWRATAIR-KSZLIROESA-N 262.437 4.844 30 10 CJEE C=CCC[C@@H](C)c1cc(C)cc(Br)c1OC 1901334001 ZOCGGPORFHEAOJ-LLVKDONJSA-N 283.209 4.836 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(CC)ccn1 1912382748 KZGVFNRQMXXOPE-MRXNPFEDSA-N 262.441 4.785 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CCCC(C)C 1916847355 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OTNZBUQXVVTLHW-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(Cl)cc1 59207890 KHTPNAYRKUVUAI-UHFFFAOYSA-N 280.795 4.842 30 10 CJEE CC(C)COc1cccc(/C=C/C(=O)c2cccs2)c1 62167818 JAJUFQFWWPHZAW-CMDGGOBGSA-N 286.396 4.679 30 10 CJEE CCc1oc(-c2cccc(O[C@@H](C)CC)c2)cc1CC#N 77077012 UZAXAVIELBFUBP-ZDUSSCGKSA-N 283.371 4.752 30 10 CJEE CCCC1(CCC)CC(C#N)(c2ccccc2F)C1 86541461 KGQMJZALZKYURY-UHFFFAOYSA-N 259.368 4.967 30 10 CJEE C=C(CC)C[C@@H](CSc1ccc(F)cc1)NCCC 97330806 DUTZHUVGMGMHQE-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE C/C(=N\c1ccccc1)c1cccc(Br)c1 100186706 GWVSMBGSVIIUKI-LFIBNONCSA-N 274.161 4.590 30 10 CJEE CCOc1ccc(C(F)(F)F)cc1[C@@H](C)CCC#N 107474970 SYBGTUZDBOALCK-JTQLQIEISA-N 271.282 4.511 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(Cl)ccc1OCC 107582310 RDVGQKFDWSOVSX-VXGBXAGGSA-N 250.769 4.502 30 10 CJEE C#CC[C@H](C)c1cc(C)cc(C(C)(C)C)c1OCC 107672597 WVGCZWGEFJCYJH-AWEZNQCLSA-N 258.405 4.818 30 10 CJEE CCCCCCCCCCN1CCC[C@@](CC)(C(=O)O)C1 109053119 XRNJBZQHPQOGIE-GOSISDBHSA-N 297.483 4.704 30 10 CJEE CCCCCCCCO[C@@]1(CNCC)CCC[C@@H](C)C1 110070381 CLMWCWORCVQNNP-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCO[C@@H](C)[C@@H](NCC)c1ccccc1 110081586 SOPAFVQVVRZPJQ-FUHWJXTLSA-N 277.452 4.713 30 10 CJEE CCC(C)(C)c1ccc2oc(C#N)c(C3CC3)c2c1 110162060 XLIZXBXIYQFVAH-UHFFFAOYSA-N 253.345 4.869 30 10 CJEE CCCCCCCCCCN(CC)C[C@@H](C)C#N 110246747 ZMTHVZPFCOKNEC-INIZCTEOSA-N 252.446 4.609 30 10 CJEE C[C@H](CCc1ccccc1)Nc1ccc(C#N)cc1Cl 110257111 URBNILCYJLZFQR-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE CCCCCC[C@@H](C)Nc1c(C#N)cnc2ccccc12 110465451 ZPFGUSYPEWFMQL-CQSZACIVSA-N 281.403 4.877 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(OC)cc1)NC 112893758 AQBNLRUWXGKUKV-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCN[C@@H](C)c1nc(C)cs1 113370166 YRWDCEOLNSRXGR-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCC[C@]1(O)CCc2ccccc21 114871337 CHNPKDKQODAYES-SFHVURJKSA-N 260.421 4.961 30 10 CJEE CCCCCCC[C@@]1(C#N)CCOc2ccccc21 115045474 QQIICQGZYXBNSG-KRWDZBQOSA-N 257.377 4.591 30 10 CJEE 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282.362 4.823 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(Cl)c(Cl)c1 203444103 YBMJZBBZYUGLQK-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCO[C@H](CCC)CNCC(C)C 211400951 CSOIPARBMZGEMV-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE Cc1cccc(C#N)c1Nc1ccccc1C(C)(C)C 221067206 TVEOCYAMIOARME-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE N#Cc1c(Cl)cccc1NCCCC1CCCC1 225326085 QSZWFEGBOSJYSI-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1cc(Br)cc(C#N)c1 227620883 ZGFUJQJACBYIPF-WDEREUQCSA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@@H](Cc1nc(C)c(C)s1)NC 228880602 YROKJUPFPNHRMI-HNNXBMFYSA-N 282.497 4.641 30 10 CJEE C=CCSCCN[C@H](C)c1oc2ccccc2c1CC 231932723 NQTJPAPDHHCXPZ-CYBMUJFWSA-N 289.444 4.565 30 10 CJEE CCCC(CS)(CCC)CN1CCC(C(C)C)CC1 232900212 DOIXWOBNHFYCNK-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C#N)CC[C@@H](C)C1 232934499 SCGYWUXYLMISFC-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)N)c(F)c1 232939063 ZKUNZXDXEISFKL-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CCCCCCCCC[C@@H]1COCC[C@@H]1NCCC 232957490 PZVGZWVUEKXIKF-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Cl)c(OC)c(OC)c1 234850855 SEAXQZGESJBBAR-AWEZNQCLSA-N 298.810 4.527 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1[C@H]2CCCC[C@H]21 253025689 ZRNRHTFHAORMQI-XDNAFOTISA-N 280.500 4.785 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1C[C@H]1c1ccccc1 253051551 VIZDRJFYMMFGPM-BZSNNMDCSA-N 257.421 4.515 30 10 CJEE CCn1cc([C@H](C)CC#N)c2cc(C(F)(F)F)ccc21 260103128 RROKGPXRXQVEIL-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE CC(C)(C#N)C[C@H]1CSc2ccc(C(F)(F)F)cc21 260417586 RJUUKLLYXNKJPR-VIFPVBQESA-N 285.334 4.835 30 10 CJEE N#C[C@H]1CCc2c(F)cccc2[C@H]1C1CCCCC1 260658945 QYOLTIXCGFPUDS-DYVFJYSZSA-N 257.352 4.576 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@H](C)CC1 300524352 VYVZMKBVNRCKKM-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C[C@@H]1[C@@H](Nc2ccc(C#N)c3ccccc23)CC[C@H]1C 300547300 ZWYYOTSBPKJDOC-IGCXYCKISA-N 264.372 4.558 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1csc(OC)n1 312542549 IINZBUKUMRNAOB-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C=CCCC[C@@]1(CNC(C)C)CCC[C@H](CC)C1 317385852 AITCVEGNANJFLE-DLBZAZTESA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@H](N)C1CC(F)(F)C1 383517961 UMQBQNWJTFVTNH-AWEZNQCLSA-N 261.400 4.890 30 10 CJEE CCCC(CS)(CCC)CN(CC)CCC1CC1 385700425 GLMIQMYHOLKLJO-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)cc1F 394933775 AEYUMNXDUAXLJQ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCSC1=NCC(C)(C)CN1 395815139 NANICQCCHPYXKG-UHFFFAOYSA-N 284.513 4.846 30 10 CJEE CC[C@H](NC[C@H](C#N)C1CCCCC1)c1cccs1 397142664 KUJMSKGPYJLIRK-GJZGRUSLSA-N 276.449 4.509 30 10 CJEE C=C(C)CCSCc1nc(-c2ccccc2)oc1C 507094259 RFKUJCCNXCQIBS-UHFFFAOYSA-N 273.401 4.849 30 10 CJEE CCCCCCCCCOc1ccc(N(C)C(C)=O)cc1 586474446 MWAPWPBXUANATD-UHFFFAOYSA-N 291.435 4.799 30 10 CJEE C=CCCCN(C)C(=O)CC1CCC(c2ccccc2)CC1 605645029 OZSCGCUUGKYUGL-UHFFFAOYSA-N 299.458 4.775 30 10 CJEE C[C@H](Nc1ccc(C2CC2)cc1)c1ccc(C#N)cc1F 611589040 KHQGFKPREFEPEY-LBPRGKRZSA-N 280.346 4.748 30 10 CJEE 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CJEE CCCCCCC[C@@H](NC)c1ccc(OC)c(C)c1 59284812 JEMKNQQBVJBTLN-MRXNPFEDSA-N 263.425 4.625 30 10 CJEE C=CCCNc1c(Cl)cc(Br)cc1Cl 70591525 VKZXBWKWHASQIW-UHFFFAOYSA-N 295.007 4.744 30 10 CJEE CCCc1oc(-c2ccc(OC)c(C(C)C)c2)cc1C#N 77081791 HSRUKDHFOBAAMQ-UHFFFAOYSA-N 283.371 4.903 30 10 CJEE C=CCCn1c(C)c(C)c2cc(CNCC(C)C)ccc21 80053201 YVWMWHXCVPZCDP-UHFFFAOYSA-N 284.447 4.580 30 10 CJEE CC(C)c1ccc2nc(C(C)C)cc(CS)c2c1 82465588 CCHSNARJPQLONZ-UHFFFAOYSA-N 259.418 4.911 30 10 CJEE CCOc1ccc(C2(C#N)CC3(CCCCCC3)C2)cc1 86543305 XKHFMFBSKGTSHE-UHFFFAOYSA-N 283.415 4.981 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(N2CCCCCC2)CC1 86961861 HOXHCKXOYVWCIC-FUHWJXTLSA-N 276.468 4.751 30 10 CJEE CCc1nn(CC)c(CC2(C#N)CCCCCC2)c1Cl 89379765 GTPNKDBQROSVGO-UHFFFAOYSA-N 293.842 4.525 30 10 CJEE C=C(CC)C[C@@H](CSc1ccccc1Cl)NCC 90232872 XNOJUNQIKBBQHZ-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2ccc(Cl)cc2Cl)CC1 91880757 OTZJRTBYWALYIP-CUMGRINNSA-N 298.213 4.747 30 10 CJEE CC(C)(CCC#N)CNc1ccccc1OC1CCCC1 92156438 LSJBIKWZPBQZIC-UHFFFAOYSA-N 286.419 4.750 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(C2CC2)cc1 94521314 USUVXKVLTOCJLC-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE CCCc1ccc(OC[C@H](CS)C(C)(C)C)cc1 94585119 HZJZWAKIYJXYJC-CQSZACIVSA-N 266.450 4.610 30 10 CJEE SC/C=C/CN1c2ccccc2Sc2ccccc21 94586506 GWJAKSANYUDFDS-AATRIKPKSA-N 285.437 4.775 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(OCCCC)cc1 97419341 UINBBMQYCANLKC-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(N)cc1 103502460 PVANWHIZZUEORZ-IBGZPJMESA-N 281.465 4.517 30 10 CJEE N#C[C@H]1CCC[C@H]1NC1CCCCCCCCCCC1 109960431 BZTFIOIRLLSGSY-SJLPKXTDSA-N 276.468 4.942 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc(Cl)c1F 110253714 KYFLBSVAHPBNCG-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)CCC(C)C)C1 110263827 IBZFBIDPSYNMOA-IXDOHACOSA-N 278.484 4.709 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](C)c1ccccn1 117687275 VXDMAPFEVLOLIH-DLBZAZTESA-N 276.468 4.914 30 10 CJEE CCCCCCC[C@@H](NCC)C1(N(C)C)CCCCCC1 118187147 VHUKRNRRBUKGAO-GOSISDBHSA-N 296.543 4.980 30 10 CJEE Cc1ccc(F)c(Nc2ccc(C#N)c(Cl)c2)c1F 122227858 DJPYJZXTHDCGGS-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NN 122324423 JWKKAMPUALMUJC-NNGLDNROSA-N 292.511 4.785 30 10 CJEE N#Cc1c(Cl)cccc1OCc1c(F)cccc1Cl 128973672 NVABSSDXULURPF-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCNc1nccn2nc(C(C)C)cc12 129629171 OHJYLOFUPJAFGQ-UHFFFAOYSA-N 288.439 4.625 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc(C(F)F)c2)C1 132328042 VBDXPTWTKAOZLL-SRCQZFHVSA-N 293.357 4.768 30 10 CJEE CCCCCCCC[C@H](O)COc1ccc(Cl)cc1 135381765 WEVPTJOGHOBGCO-HNNXBMFYSA-N 284.827 4.830 30 10 CJEE CSc1cccc(Nc2ccc(Cl)cc2)c1C#N 136611631 UJDAOBVPUCIPLE-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CC[C@@H](C)c3ccccc32)c1 163863569 DPJROPBVJGNDHH-DNVCBOLYSA-N 276.383 4.723 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1cccc(Cl)c1F 167123119 PZJRDPVDSJJAIM-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE C=C(CC)CNc1cc(Cl)cc(C(F)(F)F)c1 169086122 DSAXBEOIEAAYNK-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2)ccc1C#N 218480148 RACDVGWKEJUBOP-PBHICJAKSA-N 291.398 4.611 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc(C(C)C)c1 221136039 LCPLEXBFULDSOG-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC 229754011 JUILAFYOQRFXIC-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE CCCCCCCOc1ccc2c(c1)CC[C@@H]2NCC 232413733 SHMBYVPTMMJGPV-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=CCCCCC[C@@H](N)C(C)(C)c1ccc(F)cc1 232532045 CDJSFJGEKSTJDI-MRXNPFEDSA-N 263.400 4.567 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(C)c(F)cc1F 234435162 WKKBBMVUMZUWRH-INIZCTEOSA-N 267.363 4.670 30 10 CJEE C=CCCCCC[C@H](N)Cc1ccc2ccccc2c1 236301707 ZKMODOAEQHKEQK-IBGZPJMESA-N 267.416 4.846 30 10 CJEE C=C[C@H](C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 238376439 JMWIUMBHTYDICT-LBPRGKRZSA-N 271.360 4.714 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 249814010 RDXYZVDGFQDQCU-LTIDMASMSA-N 264.457 4.605 30 10 CJEE Cc1ccoc1C(=O)/C=C\c1cnc(C2CCCC2)s1 255307895 HHYJOZIVNLEMGH-SREVYHEPSA-N 287.384 4.598 30 10 CJEE CC[C@](C#N)(CCCS[C@H]1CCC[C@H](C)C1)NC(C)C 300208534 SWGMQRGACIGGMS-YESZJQIVSA-N 296.524 4.749 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCC(F)(F)C1)NN 302419030 LMFZCCIVKMKOGO-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@@H](C(F)(F)F)C1 310713008 MCHSVZRRNTYGMR-CHWSQXEVSA-N 265.363 4.668 30 10 CJEE C=C([C@H](C[C@H](C)CC(C)(C)C)NCCC)C(F)(F)F 311497403 KVHKLUSCDAKXDX-AAEUAGOBSA-N 279.390 4.936 30 10 CJEE CCCC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CC1 311897567 ZQSYQDMDFNFDAX-GFCCVEGCSA-N 296.197 4.750 30 10 CJEE CC(C)(C)C#CCNc1ccc(-c2ccccc2)cc1 312345762 RUZVEBSKUXXXRP-UHFFFAOYSA-N 263.384 4.815 30 10 CJEE CCC1CCC([C@@]2(C=O)CCc3ccccc3C2)CC1 317029999 UYLGTWVITQSMIT-PPSBMQLTSA-N 270.416 4.577 30 10 CJEE O=CC1(C[C@H]2Cc3ccccc32)CCCCCCC1 317680647 HPFGXJONOTYXHK-MRXNPFEDSA-N 256.389 4.646 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)Sc1ccccc1Cl 319810670 IOEMCQDSABFYIL-GXFFZTMASA-N 253.798 4.616 30 10 CJEE C#C[C@H](Nc1ccc(Cl)cc1Cl)c1ccccc1 378698605 HOYGBMQPSZKKFC-AWEZNQCLSA-N 276.166 4.780 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1ccsc1 382063273 AWDXQDTVFMYICJ-HNNXBMFYSA-N 251.439 4.925 30 10 CJEE C=CCN(CC=C)c1cccc(Cl)c1[C@@H](C)NCCC 383599686 HYMWFMXQKXPZDN-CQSZACIVSA-N 292.854 4.579 30 10 CJEE Cc1ccc([C@@H](C)N(C)[C@@H](CC#N)c2ccccc2)s1 387431784 QGARSJPZBPLVLQ-ZBFHGGJFSA-N 284.428 4.704 30 10 CJEE C=CCOc1ccccc1CNCC(CC)(CC)CC 391146442 LMPKVAJEQQWXFT-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)cc1Cl 393802980 NDWBAENFGUGPCX-PWSUYJOCSA-N 272.219 4.999 30 10 CJEE CCC[C@@](O)([C@@H]1CC1(C)C)C1(C#N)CCC(CC)CC1 397703179 MTBULPCEXSBIQZ-XPJGSDBHSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@@H](N)CC[C@H]1CCOC1 401356125 GRTYRKKVDRIGMJ-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](N)C[C@@H](C)CC(F)(F)F 402817987 DVSUTYDNSSARCX-NEPJUHHUSA-N 253.352 4.653 30 10 CJEE C=CCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NCCC 403421812 QIDFJLHQERKREA-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE C=CCC[C@H](NCc1ccc(-c2cccnc2)cc1)C1CC1 438984133 JMKLOISHFCWZTQ-FQEVSTJZSA-N 292.426 4.583 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 485839885 JGILUWDKHVFDRT-CHWSQXEVSA-N 274.433 4.692 30 10 CJEE COc1ccc(Cl)cc1C#Cc1c(F)cccc1Cl 587914684 BJPONQDSZWKGKC-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#CCCCCC[C@](C)(O)c1c(Cl)cccc1Cl 686692942 PNIUUPKJONLMBW-HNNXBMFYSA-N 285.214 4.785 30 10 CJEE C#CCCCCCC(=O)C1(OCC)CCC(C)(C)CC1 686696541 GFGZZDDMEBWWTJ-UHFFFAOYSA-N 278.436 4.515 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1C[C@H]1OCC 689920433 BPJNKZTYHPKKKJ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE Cc1nc(Nc2cccc(C3CC3)c2)c(Cl)cc1C#N 690310521 NQFSRVCKUIJUFI-UHFFFAOYSA-N 283.762 4.536 30 10 CJEE CCCCCCCCCNc1cncc(Cl)c1 690425940 XXKNJYPOPYYJRM-UHFFFAOYSA-N 254.805 4.898 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccsc1Cl 692282751 UEBLWQCEJNQQJP-AAEUAGOBSA-N 269.841 4.626 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]12CCC[C@@H]1C2 693264963 DACRQVWQZXOYHL-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)CCCCC(C)(C)C#N)CC1 697855537 NVFUORXMIIAOIY-HZPDHXFCSA-N 264.457 4.607 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@@H]3C3CC3)C[C@@H](C1)C2 700385693 OOAJFOLCZANDJF-NFWHEIDTSA-N 273.464 4.680 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)CCc2ccccc21 709239663 XIKQCGHWZPZIQO-RDTXWAMCSA-N 255.405 4.857 30 10 CJEE CCCCCCCCCCNc1cc(C2CC2)ncn1 710160946 VJOMQETXSRLEKY-UHFFFAOYSA-N 275.440 4.907 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc(F)ccc1C(F)(F)F 710482663 BAQJEZWVYGJTDV-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE CCCCCCC[C@H](CNCCOC)C1CCCCC1 711299218 JFYXVTJYLQRBDJ-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)NC 712977800 DDPIAJRAZMEQTB-BBWFWOEESA-N 251.458 4.761 30 10 CJEE CC(C)C(C)(C)COc1ccc(C#N)cc1C(F)(F)F 713350724 LYCULQAHLFMBMZ-UHFFFAOYSA-N 285.309 4.638 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC(C)(C)CO2)C1 714103317 WJUKXLIQPBHQNR-INMHGKMJSA-N 263.425 4.692 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C(F)(F)F)cc1 715813866 MBSQQKWSCALLDG-RISCZKNCSA-N 271.326 4.568 30 10 CJEE CCCCCCCCCNCC[C@@H]1CC(C)(C)CO1 717348630 RLOJTEFDYRYFHE-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CC(C)C(C)(C)CSc1cc(C#N)c2ccccc2n1 718781896 HCLKMCIBMHCTBO-UHFFFAOYSA-N 284.428 4.881 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@H](OCC)C1 721227862 KFLDSCSGVGIVLE-GJZGRUSLSA-N 291.460 4.724 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(C)sc2C)CC1 724542973 UCTIBULFOGVHOE-CYBMUJFWSA-N 263.450 4.762 30 10 CJEE C[C@@H]1CC(C)(C)C[C@]2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1 725352095 RKEXLVQYMUZVDQ-XNJGSVPQSA-N 278.245 4.685 30 10 CJEE C[C@@H](CCC1CCCC1)Nc1ccccc1O[C@@H](C)C#N 780746381 NTAWTRNKJZOYGO-GJZGRUSLSA-N 286.419 4.748 30 10 CJEE C=CCCC[C@@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 1125524793 KDDOGAXWKLFPPT-PKOBYXMFSA-N 297.442 4.599 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1 1133167703 CYOZYYGUKHTGTR-GOSISDBHSA-N 297.373 4.653 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 1182357625 VJEJJZJJXFDCRL-HZPDHXFCSA-N 297.364 4.897 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)C(C)C)C1 1183823251 QWNSCDGQYURBKG-NEWSRXKRSA-N 271.448 4.588 30 10 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4.591 30 10 CJEE C=CCCCSc1cccc(C)c1CNC(C)C 2259047078 UVDVZQQDCOSAOS-UHFFFAOYSA-N 263.450 4.551 30 10 CJEE C=C(C)CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1N 2259194728 MJXXHCKWOYKZES-ARFHVFGLSA-N 251.458 4.913 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1(CS)CC(F)C1 2265642683 GLTSRYSXICCXBP-UVHVRRJVSA-N 288.472 4.512 30 10 CJEE O=C(C[C@H]1CC(F)(F)C12CCC2)C1=CCCCCC1 2266343768 VCKMCADVIJHLJN-ZDUSSCGKSA-N 268.347 4.662 30 10 CJEE C=C1CC([C@H](NC)c2ccc(C(F)(F)F)cc2Cl)C1 2269712113 WTEROKMURORQBL-ZDUSSCGKSA-N 289.728 4.586 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(C)c(Cl)cc1C 2269912672 KKWLKSLTICPDDX-MRXNPFEDSA-N 282.859 4.822 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@@H]1C(F)F 2270072309 BKTISDQOPOYDLX-IHRRRGAJSA-N 273.411 4.638 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC(F)(F)[C@H]1O 2271512457 RSBHWHVBBNVJQH-KGLIPLIRSA-N 292.435 4.795 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cscc1OC 2271785203 KXJZXGZKCIMXOR-OAHLLOKOSA-N 281.465 4.934 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(C)c(F)c(C)c1 2271791286 LGVPOPDDWRSXOG-INIZCTEOSA-N 263.400 4.840 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1ccc2ccccc2c1 2273026379 MTTOLIDVGWOWJR-GJZGRUSLSA-N 253.389 4.703 30 10 CJEE CCCCCCCCCCNCC[C@@H](C)OC(F)F 2274371277 JCKCSIKXNAUJQI-CQSZACIVSA-N 279.415 4.735 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)[C@@H](C)CC 2274674465 VDCQDGCWWFHHNY-GOEBONIOSA-N 272.429 4.643 30 10 CJEE CCCSc1ccccc1NCc1ccsc1C#N 2277484632 KCIPQFODALROBR-UHFFFAOYSA-N 288.441 4.734 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccsc1 2278241231 CIHYPAXURVDOBE-HOTGVXAUSA-N 283.481 4.640 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COC[C@@H]1CC 2278243359 FIUSUQDHAPFSTE-YESZJQIVSA-N 269.473 4.530 30 10 CJEE Cc1cc(N[C@@H]2CCCC[C@@H]2C(C)C)cc(C)c1C#N 2280561838 CKRGJGCTORLAMU-SJLPKXTDSA-N 270.420 4.802 30 10 CJEE Cc1cc(NCCC2CCCCCC2)cc(C)c1C#N 2280571225 XQVNUEDDCVFLTL-UHFFFAOYSA-N 270.420 4.948 30 10 CJEE CCCCCC#CC[C@](C)(O)c1cc(Cl)ccc1OC 2283318591 ZDHBGAUDOATJQV-KRWDZBQOSA-N 294.822 4.530 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CC=CC#CC(C)(C)C 2284084946 XXRHWQCKCUCEKN-LMMKCTJWSA-N 276.464 4.806 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)C(F)(F)F 2284116054 QGOOMISYMOCXJS-ZDUSSCGKSA-N 289.385 4.549 30 10 CJEE CCCCCCCC[C@@H](C)NCc1c[nH]nc1C1CC1 2284762637 VUOJTUXADRWDRG-CQSZACIVSA-N 277.456 4.516 30 10 CJEE CC(C)CCC[C@H](C)CCOc1cc(F)cc(C#N)c1 2284876663 XQYSTUDYRACQOA-AWEZNQCLSA-N 277.383 4.929 30 10 CJEE C=CCCCCCCCSc1cc([N+](=O)[O-])cc(F)n1 2287071386 IMHSSVRSFHVVDP-UHFFFAOYSA-N 298.383 4.748 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@](C#N)(NC)[C@@H]1C 2287097061 RRHRYEYWXRIKQI-BRWVUGGUSA-N 294.508 4.526 30 10 CJEE C=CCCCSc1c(CN[C@@H](C)CC)ccc(F)c1F 2287194455 MKFPZIGIJGBIRA-LBPRGKRZSA-N 299.430 4.911 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C(O)(C(C)C)C(C)C 2287376210 QSOKWYLICXWMER-QGZVFWFLSA-N 283.500 4.534 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc2nc(C)ccc2c1 2287390671 SBSOJAMPPHERKE-KRWDZBQOSA-N 268.404 4.680 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H]1CCCOCC1)NCCC 2287421915 MSKHPMSTIJZRLX-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC1CCCCC1 2289708146 ASPZZOBDECFWJA-LJQANCHMSA-N 275.480 4.909 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1ccccc1Cl 2291439008 IBHJUXQONFOHQH-OAHLLOKOSA-N 296.794 4.619 30 10 CJEE C=CCCCCCCC[C@@H](CCC(C)C)OCC(=O)O 2291809271 PQJUGQROAJCHRG-INIZCTEOSA-N 284.440 4.809 30 10 CJEE C=C(CC)CC1(OCC(=O)O)CCC(CC)(CC)CC1 2292128491 REGKSCZKRFABKC-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1ccc(C)s1 2292646646 WHFXRVVLODCRSG-INIZCTEOSA-N 295.492 4.990 30 10 CJEE C=CCCCCCC[C@@](C)(CCC(F)(F)F)OCCN 2292764506 AFEAWOAJOFPSAU-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCC(C)(C)C[C@H]1C 2292793384 ZYBFVGYMQDPRFQ-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(CC1(CF)CCC1)OCCN 2293460634 QRVGNIVPWHABPN-INIZCTEOSA-N 287.463 4.611 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1C[C@@H]1C)OCCCN 2293768861 ZCADHXDHCHOFSV-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@](C)(C[C@H]1[C@@H](C)[C@H]1C)OCCN 2294189362 PHTOCXVBPYRTSR-MHORFTMASA-N 283.500 4.763 30 10 CJEE C=C([C@@H](OCCCN)c1sc(C)c(C)c1C)C(C)(C)C 2294257501 UCZJYQREAUFNAF-OAHLLOKOSA-N 295.492 4.682 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1C[C@@H]1F)OCCCN 2294588220 NGOLAXPHCZEGBF-YESZJQIVSA-N 287.463 4.609 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C1C2CC3CC(C2)CC1C3 2294901680 BXNCAQWWQMCFRJ-PWKXAEOISA-N 274.448 4.844 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1cncn1C 2295675321 AFFYFDUMQQLGDG-HOTGVXAUSA-N 279.472 4.600 30 10 CJEE CCCC[C@H](CC)CSCC1CC(C#N)(NC(C)C)C1 2295710391 GSMPQXLSXOELEJ-GTPINHCMSA-N 296.524 4.606 30 10 CJEE Cc1ccc2nc(Cl)c(C=CC(=O)c3ccco3)cc2c1 2297461296 NLZAXTYIQKEHKH-UHFFFAOYSA-N 297.741 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cscc1F 2304042128 TYTQVJJKEFQNBF-KBPBESRZSA-N 255.402 4.530 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2318360034 XYQZOAAYVZCFEE-LKFCYVNXSA-N 290.209 4.995 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1cccc(Cl)c1C(F)(F)F 2321220197 PZLGKRHOPVLCDP-PRHODGIISA-N 278.701 4.604 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330164365 YAYWNUXVCJGPQQ-XGUBFFRZSA-N 273.411 4.616 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2332781640 QUPKQYNNJOEADW-DDBAPUKQSA-N 263.469 4.783 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2334630883 PADCOJQPEYHCCB-RGUZKJPTSA-N 262.437 4.988 30 10 CJEE C=CCC(CC=C)SCc1cc(C=CC(=O)O)cs1 2335096689 PQOQBZLHRFWAMN-UHFFFAOYSA-N 294.441 4.600 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1CCC1(F)F)NC 2335427057 ZSABSKVKWURBQM-CABCVRRESA-N 273.411 4.927 30 10 CJEE CCCN[C@@H](CC#CC1CCC1)CC1CCCCC1 2337577780 LKXKIKPZDZOGLX-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)C[C@H](NCC)c1cccc(F)c1 2338668834 YZKJSSMTEZVNSH-KRWDZBQOSA-N 261.384 4.635 30 10 CJEE C=CCC(CC=C)[C@]1(N)CCCCC[C@H]1C(F)(F)F 2338728551 WGTNBAICVWEIJI-ZIAGYGMSSA-N 275.358 4.595 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCCC12CCC2 2338741321 MSTCPPAOPYDJSH-DLBZAZTESA-N 261.453 4.703 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338748075 WLTAIZWAXZYLGE-WBTNSWJXSA-N 260.421 4.908 30 10 CJEE CCC[C@H](O[C@@H](C)CC(C)(C)C#N)c1ccccc1 2340548456 OZYLLFBAYOSLKX-HOCLYGCPSA-N 259.393 4.873 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc(CCCC)cc1 2341891715 FCTZNYQSRNSIOA-MSOLQXFVSA-N 257.421 4.646 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1coc2ccccc12 2344339479 JNAXREVFVICECL-INIZCTEOSA-N 257.377 4.686 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(F)c(Cl)c1)NCC 2344345915 PIIOQWYRWLKQJM-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(CC2CC2)cc1 2344382343 XGSMXDJQKAGHDS-SFHVURJKSA-N 256.389 4.814 30 10 CJEE C=CCC(C)(C)C(=O)CC1CCC(C(F)(F)F)CC1 2344394958 HGXHBRVXXKCWJQ-UHFFFAOYSA-N 276.342 4.917 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@H]1C1CCCCC1 2344475872 XDVANZIOMASTSW-XDNAFOTISA-N 264.453 4.946 30 10 CJEE CC(C)CN(C[C@](C)(CS)C(C)(C)C)C1CCCC1 2352069830 WDKPDTUIVZYRRE-QGZVFWFLSA-N 285.541 4.869 30 10 CJEE CSc1cc(N[C@@H](C)CCCC(C)C)ccc1C#N 2353827989 TUKYUTZLFFATOF-ZDUSSCGKSA-N 276.449 4.907 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H]2CCC[C@@H]2N1 2354709228 BHPOUIDZYONHEM-YESZJQIVSA-N 279.468 4.617 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@H]1C)NCC 2357005864 KCAYSOOCOAVGHF-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2358665284 ANTKYGWVLFIDCY-QKPAOTATSA-N 285.422 4.912 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)[C@H](C)CC1CC1 2360334790 VSKBXNWLOUTLEN-CRAIPNDOSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CCC2)[C@@H]1NCC 2360344823 VHKVEQFEKUIIIS-DLBZAZTESA-N 293.520 4.941 30 10 CJEE Clc1ccc(N/N=C/c2cccc3ccccc23)cc1 5445847 WCGWTJWSAMBDGH-XDHOZWIPSA-N 280.758 4.939 30 10 CJEE COc1ccc2ccccc2c1/C=N/Nc1ccccc1C 7892200 QDQJKLKYHISJTK-DEDYPNTBSA-N 290.366 4.603 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1cccc(F)c1C#N 36138612 SSFCTFJJLJTYJG-IIYDPXPESA-N 274.383 4.570 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 37071283 SDQDAYCKMLVEBI-IRXDYDNUSA-N 270.420 4.769 30 10 CJEE CC(C)c1ccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2)cc1 37345311 MFSLXUYATCRKNS-QGZVFWFLSA-N 297.785 4.953 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(C#N)Nc1ccc(F)cc1 37935757 SOTDTRYZBXENOF-DOTOQJQBSA-N 274.383 4.736 30 10 CJEE C[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1Cl 57746131 ZXJRAAVBVBHVGX-IUODEOHRSA-N 255.748 4.751 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)O)cc1 59095458 KHLXHGWJDHIOHN-CYBMUJFWSA-N 263.381 4.546 30 10 CJEE C[C@@H](C#N)Cc1ccc2c(Cl)c(Cl)cc(Cl)c2n1 62712672 MDOBXJIZGRRRFM-SSDOTTSWSA-N 299.588 4.897 30 10 CJEE CCc1ccc(Nc2cccc(Cl)c2C#N)cc1 70138306 XBSIKAJUJUPSAE-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE N#C[C@@H](CNc1cccc(Cl)c1Cl)c1ccccc1 80748561 DDPPDJWGLCEPRL-LBPRGKRZSA-N 291.181 4.713 30 10 CJEE CC(C)Cn1cc(C(=O)CC#N)c2ccc(C(C)C)cc21 84875243 AJWUEKDGWOLQHU-UHFFFAOYSA-N 282.387 4.517 30 10 CJEE C[C@H](c1ccccc1F)N(C)CC1(CS)CCCCC1 94579477 SFEHMSCYVMTBQE-CQSZACIVSA-N 295.467 4.699 30 10 CJEE CCC[C@H](CS)CO[C@H]1C[C@H](C)CC(C)(C)C1 94583975 ZTXHWLLHWKECKE-IHRRRGAJSA-N 258.471 4.564 30 10 CJEE CCCC(CS)(CCC)Cn1nc(C)c(Cl)c1C 94587403 AMWDOTQUXJZVTN-UHFFFAOYSA-N 288.888 4.670 30 10 CJEE CC(C)CCN(C[C@@H](CS)C(C)(C)C)C1CCCC1 94853847 LNPQSRSLOWYJGJ-HNNXBMFYSA-N 285.541 4.869 30 10 CJEE C=C(CC)C[C@H](Cc1c(F)cccc1Cl)NCCC 97208680 HAIJUOHNEWGTPA-CYBMUJFWSA-N 283.818 4.746 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(C)s1 101788107 FKIKMGKGXJCVGU-UHFFFAOYSA-N 266.406 4.559 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(F)cc1)NC 103946432 YLHYXRNHBRGROC-KRWDZBQOSA-N 265.416 4.707 30 10 CJEE CCCCCCCCCOc1ccccc1C[C@@H](C)N 109763359 FKXJJCYONPFICC-MRXNPFEDSA-N 277.452 4.706 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@@H]1C 109901108 PNMQYNXPSSSOOZ-UONOGXRCSA-N 261.434 4.955 30 10 CJEE Cc1cc(C(C)(C)C)c2oc(C#N)c(C3CC3)c2c1 110161995 RINNMKUUKXNYOR-UHFFFAOYSA-N 253.345 4.788 30 10 CJEE C[C@H](c1ccccc1F)N(C)c1ccc(C#N)cc1Cl 110258597 XNMKZSZPUJVPCU-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCC[C@H](CC)COc1ccccc1/C(CC)=N\O 110323198 JEVSWMAZZIADDM-HFUDNHEJSA-N 277.408 4.870 30 10 CJEE CCCCCCCCCc1nnc([C@H](CC)NCC)s1 116085746 JBYBVRPEIADXHN-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CC[C@@](C#N)(Cc1ccccc1)Nc1ccccc1Cl 116390458 MDURGEMUMNIMJV-KRWDZBQOSA-N 284.790 4.667 30 10 CJEE CCCCCCCC[C@H](CO)Cc1ccccc1C 117328901 GNZHFRBAWLJUAE-KRWDZBQOSA-N 262.437 4.897 30 10 CJEE CCCCCCCCC[C@@H](NCC)C1=COCCC1 122774970 ZCYYKACPOJQVPP-QGZVFWFLSA-N 267.457 4.800 30 10 CJEE C[C@H]1CCCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 128759858 DMIUEVKQDQXRAB-NWDGAFQWSA-N 296.336 4.815 30 10 CJEE CC#CC[C@@H](NCCC)C1CCC(CCCC)CC1 130870284 HKYLJCNZCOBTPJ-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCO[C@H]1C1CC1 131395513 VOKMUPFTOXBDHC-RBUKOAKNSA-N 295.511 4.920 30 10 CJEE CSc1ccc(Oc2cccc(SC)c2C#N)cc1 136717838 QFHVNIUPLHGCIO-UHFFFAOYSA-N 287.409 4.794 30 10 CJEE CCCCCCCC[C@H](CC[C@H](C)OC)NCC 140322004 RWDXMBJVGJCTTO-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE N#Cc1cc(Oc2ccc(Cl)c(F)c2)nc2ccccc12 156273009 RFFWGVVEQJXRDX-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1Cc2ccccc2S1 158934155 TWDVKCLUQGTCKD-CRAIPNDOSA-N 289.488 4.674 30 10 CJEE CCCCCCC[C@@H](O)C1(C#N)CCCCCCC1 158990143 UFIHVMQPKMFAHD-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1F 161102014 IZGLUXVTGPWVFR-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCC[C@@H](Cc1nccs1)NCC 228734489 HVTOZZUSJKNEEA-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2cccc(Cl)c2Cl)C1 228941130 YQPVHZQOAIOIKR-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C)c(Cl)c1 229734933 CUSXDXDIRFQHNX-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C)c(Br)c1 229740152 IAJRTUXWBNRXKD-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)c1ccc(CC(=O)C2=CCCCCC2)cc1 232756521 PIKBLXXJVMJWMJ-UHFFFAOYSA-N 256.389 4.812 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)c2ccoc2Cl)cc1 232763364 ADWISXIQBUOMPR-CQSZACIVSA-N 287.746 4.546 30 10 CJEE CCCCCCCCNc1ccc2cnccc2c1N 232953550 JJXHGOBIGYDTID-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(F)cc1)NCCC 233124280 QBKRCJSQOYWDSK-SFHVURJKSA-N 277.427 4.873 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc3cccc(F)c3o2)CC1 235699392 GFWJTRLACFUKKG-SNVBAGLBSA-N 258.292 4.501 30 10 CJEE Cc1ccc(Oc2ccc(Cl)cc2Cl)c(C#N)c1 235920318 XHXYLIOFGMNPKC-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C=CCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 236217579 XDEQOKVJBUNFKE-CYBMUJFWSA-N 287.234 4.634 30 10 CJEE CC#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC(C)C 250514043 DTFNUNJMUGHHAO-SQNIBIBYSA-N 277.496 4.724 30 10 CJEE CC[C@@H](C#N)c1ccc(C(F)(F)CC(C)C)cc1 259375154 GMMOLAZZNHMVMX-LBPRGKRZSA-N 251.320 4.842 30 10 CJEE CC(C)(C#N)c1ccc2c(ccn2C2CCCC2)c1 259902437 BIXZDIQBFOIFTQ-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE CSc1cc(CC(C)(C)C#N)cc(SC)c1SC 260785848 ZETXNJYRTQZNEU-UHFFFAOYSA-N 297.514 4.945 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 300258570 XEMMGMIVDGLDBQ-BZUAXINKSA-N 252.442 4.946 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)c(F)c1 313404932 AFMMREYIQYOTEL-LLVKDONJSA-N 288.753 4.718 30 10 CJEE CC1CCC(C[C@@]2(C=O)CCCc3ccccc32)CC1 316890832 BGTAESUYLQGJPB-LADRWXRNSA-N 270.416 4.676 30 10 CJEE CC(C)c1ccc(C[C@@]2(C=O)CCC[C@H](C)C2)cc1 317611770 TVZAHAXBCGNMPI-MAUKXSAKSA-N 258.405 4.748 30 10 CJEE CSCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 320156054 MKIAPQJWDBREIC-HZSPNIEDSA-N 285.522 4.827 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCCO2 382474325 CKKAZTUZOQCNEL-UHFFFAOYSA-N 262.393 4.751 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1csc2ccccc12 383501786 CGDYXAUWUFAULT-MRXNPFEDSA-N 285.456 4.992 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(C(C)(C)C)cc1 385002551 VXEYTXSQTAMXJO-CQSZACIVSA-N 259.437 4.847 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](C)CCOC 386182197 HSMRBVNQZAKZDJ-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCC[C@H](CS)CN(Cc1ccccc1)[C@H](C)CC 387449532 ULGPMWLBTYTPPH-WBVHZDCISA-N 279.493 4.633 30 10 CJEE CCC1CCC(C#N)([C@H]2C[C@H]2c2ccccc2)CC1 388692233 UKVVHHWYYVIKHS-YCHGYYGWSA-N 253.389 4.900 30 10 CJEE C=CC[C@H](CC)N[C@@H]1c2cc(Cl)ccc2CC1(C)C 393783684 VLRUOFILZMKVMM-GOEBONIOSA-N 277.839 4.908 30 10 CJEE CCCCCCC[C@@H](CCOCc1ccccc1)NCC 395623656 PANVMDLGUWYMGV-IBGZPJMESA-N 291.479 4.932 30 10 CJEE O=C(/C=C\c1cocn1)c1ccc(C2CCCCC2)cc1 588561699 WOPUTXKCZUZTPT-KHPPLWFESA-N 281.355 4.618 30 10 CJEE C=CCCCN(C)C(=O)N[C@H](C)c1cccc2ccccc12 605946908 HWIALOBOKNCTIT-OAHLLOKOSA-N 296.414 4.508 30 10 CJEE C#CCCCCC[C@H](NCC)c1scc(C)c1Cl 686699570 DVHWSBYSMNLSHQ-ZDUSSCGKSA-N 283.868 4.944 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccsc2Cl)C1 688002897 ISVLEUHTJJZMFD-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(COC)cs1 690000861 BOLOKZMEYJKZAJ-CQSZACIVSA-N 269.454 4.645 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc(C2CC2)c1 690312769 ZSRBXCMKHRKADE-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE CN(Cc1csc2ccccc12)C1(C#N)CCCCC1 690507138 ZQNJDRIEXLKNIJ-UHFFFAOYSA-N 284.428 4.560 30 10 CJEE CCCCCCCCC[C@H](O)Cc1sc(C)nc1C 692042301 ZMBMATIAKZJCIT-HNNXBMFYSA-N 283.481 4.804 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2c(C)cccc21 692189791 IEVVLBFYHJZOMZ-KGLIPLIRSA-N 286.444 4.941 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)c1ccccc1O 692215300 OOFFAKZXURZEBN-HYVNUMGLSA-N 273.420 4.568 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 695775769 CIYQZXRRVGCWCC-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)C(F)(F)F 697702490 HTHKPVUOVLJUAX-RYUDHWBXSA-N 253.352 4.523 30 10 CJEE Cc1c(Cl)cccc1Oc1cc(Cl)ccc1C#N 702670035 KQCONASEGYINQK-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCCC[C@H](O)C(CC)(CC)CN 702974972 IXJRNCSTGCQDPD-INIZCTEOSA-N 271.489 4.643 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(Br)o1 703732684 DUZOKMBCFJVXHH-NSHDSACASA-N 288.229 4.663 30 10 CJEE C=CC[C@@H](C=C)OCCC(CC)(CC)CNCC(C)C 706718258 HDJJWDMTESNDLZ-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708028497 HNOIMQQCAQCHBG-ZWNOBZJWSA-N 255.283 4.605 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)ccc1OC 710639757 DJIYIHOSPXVZEZ-CYBMUJFWSA-N 288.218 4.532 30 10 CJEE CC(CCc1ccc(OC[C@H](C)C(C)(C)C)cc1)=NO 711175177 XSGSXFRLPMKQOI-ZDUSSCGKSA-N 277.408 4.530 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CC(C)(C)CC[C@@H]1C 713069993 YQQBYWUKUSPOCK-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H](CC)c1ccccc1 715801702 ZGBREYHWKVMYGB-RYQLBKOJSA-N 259.437 4.761 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc2ccccc12 715816755 ZOTWVNHVRXHVNP-KBXCAEBGSA-N 253.389 4.703 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1csc(Cl)c1 718563801 HPDGZZRAVFKUDG-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE CC[C@H](C#N)n1ccc2c(OCc3ccccc3)cccc21 720929988 ZUELITRKBNFNQE-MRXNPFEDSA-N 290.366 4.695 30 10 CJEE C=CCC[C@@](C)(O)CCc1cc(Cl)cc(Cl)c1 722111185 JNYNBZDKCVDGEQ-CQSZACIVSA-N 273.203 4.643 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1C[C@H](C)O[C@H](C)C1 724231187 SYXBBWWVXQONCV-YYIAUSFCSA-N 270.457 4.692 30 10 CJEE C[C@@H]1Sc2sccc2C(=O)/C1=C\c1ccccc1 742436052 FQUYAYQXZLIAFS-AVMBBCFPSA-N 272.394 4.509 30 10 CJEE c1ccc(C2CC(=NNc3cccc4ncccc34)C2)cc1 814804642 ZFOPEFUWHWPOPE-UHFFFAOYSA-N 287.366 4.580 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H]1CC=CCC1)c1ccccc1 1127300451 CTDHULBQOXWATK-AEFFLSMTSA-N 283.415 4.557 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](CC)CCC 1128410879 APNYIGWYPZDREN-CQSZACIVSA-N 259.393 4.570 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(CC)c(Cl)c1 1128822151 XWVVPHODOMJVQZ-UHFFFAOYSA-N 277.795 4.609 30 10 CJEE CCCCCCCCN(C)CCCC(F)(F)F 1202415054 IHBDIAZPVMIZPO-UHFFFAOYSA-N 253.352 4.621 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H](C)CC(C)(C)C 1204046755 ZCZQJNVTSLHDIH-AWEZNQCLSA-N 288.435 4.751 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2cccc3cc[nH]c23)c1 1210299669 SFOPBZIQCJSQNA-UHFFFAOYSA-N 291.354 4.845 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2OC2CCCC2)C1 1308206987 DZEWJZUAMVYUNJ-AEFFLSMTSA-N 299.458 4.842 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)ccc2C)c1 1308543398 IDEYSIXNLFXQRY-UHFFFAOYSA-N 251.373 4.949 30 10 CJEE C=C1CCC(CN[C@@H](C)Cc2ccccc2Cl)CC1 1308930979 LMMPSSOBFMAAPI-AWEZNQCLSA-N 277.839 4.607 30 10 CJEE Cc1c(-c2ccccc2)ncc(C#N)c1-c1ccccc1 1344048194 VCKATCZEFASLRA-UHFFFAOYSA-N 270.335 4.596 30 10 CJEE C=CCN(C(=O)C=C1CCC(C(C)(C)C)CC1)C(C)C 1354090546 RJZPSXFAFRPWFQ-UHFFFAOYSA-N 277.452 4.572 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)CCCCC1 1355224699 JCHFUSWNAAQCLO-HOTGVXAUSA-N 291.479 4.844 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)CCCCC1 1460942711 VAAXYHJRMKWHQH-IKGGRYGDSA-N 291.479 4.844 30 10 CJEE C=C(C)CCN1CCCC[C@@H]1CCCc1ccccc1 1473299835 SSXNQTPDBJVGHH-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cccc(OCc2ccccc2)c1 1473442792 MXYHUQMGMNSMSG-IRXDYDNUSA-N 295.426 4.881 30 10 CJEE CCCCCCCCCCN1CCC[C@@](C)(F)C1 1473498267 NIEKCPAKWGOCRG-MRXNPFEDSA-N 257.437 4.951 30 10 CJEE C#Cc1ccc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)cc1 1474073814 TUNPVOCSZKZQGK-KRWDZBQOSA-N 291.438 4.512 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 1474642440 OEBKOPKJWDOQNI-IAGOWNOFSA-N 286.463 4.608 30 10 CJEE C=CCCCCC[C@@H](C)NCc1ccc2cccnc2c1 1474661647 CQIZWGAEIWPIHG-MRXNPFEDSA-N 282.431 4.849 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@H](C)[C@H]1CCC 1478605423 KDMASROGKNUYMS-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 1519989761 QEPKJUXZOHVZPN-WMZOPIPTSA-N 287.447 4.677 30 10 CJEE C=CC1(CC(=O)NC(C)(C)C2CCCCC2)CCCCC1 1528167650 VULUPSHGEFUZOW-UHFFFAOYSA-N 291.479 4.988 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCC[C@H](C)C1 1545006166 KYIBDPNXWRORTO-DLBZAZTESA-N 279.468 4.846 30 10 CJEE C=CCC1(NCc2ccc(C(C)C)nc2CC)CCCC1 1560002113 WEEJSBWIYSESSI-UHFFFAOYSA-N 286.463 4.746 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 1560253061 FWCRBXUMLNCMRY-MDMSPXHWSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCCCC 1586139888 KUEIDAIKFSQPJM-SJORKVTESA-N 279.468 4.988 30 10 CJEE Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1C 1614730534 CKNVLIXWYKETGS-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C=CCC[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccn1 1621480984 TZHBTOVBBKDYOC-XLIONFOSSA-N 294.442 4.700 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 1647863843 SWQGXPXMPYMMES-KGLIPLIRSA-N 297.364 4.750 30 10 CJEE C=CCCC(C)(C)NCc1cc2cccc(CC)c2o1 1651364011 RJBIVBHZFPFPKI-UHFFFAOYSA-N 271.404 4.830 30 10 CJEE N#Cc1ccc(OCCSC2CCCCC2)cc1Cl 1652785850 SXYQQYTZFHHDPQ-UHFFFAOYSA-N 295.835 4.656 30 10 CJEE C#CCCCCCCN(C)[C@H]1CCC[C@@H]1c1ccccc1 1653848625 VXQCWYIAMDPLEY-UXHICEINSA-N 283.459 4.838 30 10 CJEE C#CCCCCCCN1CC=C(c2cc(C)cc(C)c2)CC1 1657830480 STQKAUBYUANAQI-UHFFFAOYSA-N 295.470 4.976 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc2ccc(C)cc2[nH]1 1662863572 XUBKOQGMTPGJKG-YJBOKZPZSA-N 282.431 4.701 30 10 CJEE C/C(=N\OCc1cccc(Cl)c1)c1ccc2c(c1)CCC2 1857938189 MZNQQSNKJGTRFF-DEDYPNTBSA-N 299.801 4.770 30 10 CJEE CC(C)(C)C1CCC(=NOC(=O)c2cccc(F)c2)CC1 1860464572 JLSFQAKJPFDMKT-UHFFFAOYSA-N 291.366 4.575 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H](C)CCC(C)C 1881299379 IKZYYJAZYBAMBG-QGZVFWFLSA-N 259.437 4.889 30 10 CJEE C=CCCN(CC[C@H]1CC1(Cl)Cl)Cc1ccccc1 1881301885 QDEGBTVPBBDLPO-HNNXBMFYSA-N 298.257 4.649 30 10 CJEE C=C(C)CN(C(C)C)[C@H](c1ccccc1)C(F)(F)F 1884104924 ICVOWHRZPVXBNM-CQSZACIVSA-N 271.326 4.577 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 1885274535 MUZFIQAKRHMQHV-BARDWOONSA-N 278.245 4.685 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC(C2CCC2)C1 1886641131 AZZLXLJQXUKQQY-UHFFFAOYSA-N 283.459 4.891 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccc(C(C)(C)C)s1 1888700716 HVCISLAGBZOMSC-MRXNPFEDSA-N 271.429 4.759 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@]1(C)CC1(C)C 1888701416 NSSRZMFPWUNHSJ-WMZOPIPTSA-N 257.421 4.504 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@@H](CCC)CCS1 1912096000 RUDWMDJNWGHDIY-KGLIPLIRSA-N 270.486 4.597 30 10 CJEE CN(CCCCCCS)[C@@H]1CCC2(CCCC2)C1 1916481290 DJBAKEXKXIRQDT-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1ccc(CC)s1 1919389433 GETNALXICGJJJS-MRXNPFEDSA-N 282.449 4.605 30 10 CJEE CCCCCCCCCCCCC(=O)C1(N)CC=CC1 1923444112 ANNCENIXJWLEQC-UHFFFAOYSA-N 279.468 4.914 30 10 CJEE CCCCCCCCCC[C@]1(F)CN[C@@H]2CCC[C@H]21 1926553426 ANKHYVAOWCXONS-ZACQAIPSSA-N 269.448 4.997 30 10 CJEE CC(C)C[C@H](C)[C@@H](C)N=C1N[C@H](CC2CCCC2)CS1 1926729616 SAEGFOBDZUPPFE-SQWLQELKSA-N 296.524 4.698 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCC2)C1 1931998289 IYLCZRMMGZSDEU-UXPWSPDFSA-N 296.458 4.617 30 10 CJEE C=C(CC)C[C@H](N)c1cscc1OCc1ccccc1 1934830901 HOFLHSDRDIQCCA-INIZCTEOSA-N 287.428 4.683 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H](CC(C)C)C(C)C 1941260313 GGXHSXZPHNQDMW-HUUCEWRRSA-N 259.865 4.816 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1SCC[C@@H]1C 1945612569 IXBOWNNVDPNTHY-SOUVJXGZSA-N 258.471 4.630 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCC2(CC2)C1 1953963202 DKXQTHOGCLFOEU-SFHVURJKSA-N 269.432 4.645 30 10 CJEE O=C(C1=CCCCCCC1)c1ccsc1Cl 1978425932 YGTYAWAXRARFRZ-UHFFFAOYSA-N 254.782 4.865 30 10 CJEE C=CCCCC[C@H](N)c1ccc(Br)cc1C 1984512055 KWXURKHYMBZBGM-AWEZNQCLSA-N 282.225 4.504 30 10 CJEE C=CCC[C@@H](C)N[C@@H](CC)c1cccc(Br)c1 2002056655 IDQFCUKNRORIOB-DOMZBBRYSA-N 296.252 4.845 30 10 CJEE C=CCC[C@@H](C)C[C@@H](NC)c1ccccc1Br 2003670721 JOENFAAEFSKNIN-IUODEOHRSA-N 296.252 4.702 30 10 CJEE O=C[C@]1(CCC(F)(F)Cl)CCCCC12CCC2 2005605031 YJWHJWOMHUOREX-GFCCVEGCSA-N 264.743 4.528 30 10 CJEE C=CCCCC[C@@](O)(CC)c1cccc(Br)c1 2009522926 IUWJRYDPOJBUHQ-HNNXBMFYSA-N 297.236 4.793 30 10 CJEE C=CCC(C)(C)OC(=O)c1cc(Cl)cc(Cl)c1 2014047319 WDFGVNTZJROPHH-UHFFFAOYSA-N 273.159 4.505 30 10 CJEE CC1(C)CCC(C[C@@]2(C#N)CCCSC2)CC1 2018477652 PEMOEBWGNWUNGD-OAHLLOKOSA-N 251.439 4.630 30 10 CJEE C#CC[C@H](C)CC(=O)c1c(Cl)ccc(Cl)c1Cl 2020050747 QXDKOHBFIGVYDZ-QMMMGPOBSA-N 289.589 4.879 30 10 CJEE CC(C)OC(C)(C)CC1(C#N)CCC(C)(C)CC1 2027153559 UHFPSFIKCUWZTD-UHFFFAOYSA-N 251.414 4.690 30 10 CJEE CC1CCC(C=O)(CCSC2CCCCC2)CC1 2031792215 NKFUPTYHELBLRD-UHFFFAOYSA-N 268.466 4.838 30 10 CJEE C#CCCCCC[C@](C)(N)c1cc(Cl)ccc1Cl 2037154312 CHOJQHXDNGZFTH-HNNXBMFYSA-N 284.230 4.751 30 10 CJEE C=CCC[C@@H](C)C1(CNCCC)CCCCCC1 2040529911 NOKWVGFTLQHUAN-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE C=C(Cl)C[C@H](N)c1ccc(-c2ccc(Cl)cc2)o1 2045621828 CTTLSEOSEQOEOD-LBPRGKRZSA-N 282.170 4.742 30 10 CJEE CC(C)=CC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2045680596 MGEXMBZKCCQIAU-UHFFFAOYSA-N 260.720 4.749 30 10 CJEE C=C(C)[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2045806060 KEMJJGARKXSVJU-GFCCVEGCSA-N 275.339 4.525 30 10 CJEE CCC[C@@](C)(C=O)CC1CCC(C(F)(F)F)CC1 2045978137 GKYGSKNRMURINU-WXRRBKDZSA-N 264.331 4.751 30 10 CJEE 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278.701 4.604 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CCCC1(F)F 2053403150 ZXIFDSNSUYXUJY-GXTWGEPZSA-N 258.352 4.597 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(Cl)c(F)cc1F 2058867234 IWPQCHZRKFJYET-CQSZACIVSA-N 273.754 4.625 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CCCC(F)(F)C1 2065230533 BWDIOBUWZSXIKP-ZDUSSCGKSA-N 279.802 4.713 30 10 CJEE CCc1ccc(CC2(C#N)CCC(F)(F)CC2)s1 2065256789 FGVWAAOCBNDFEG-UHFFFAOYSA-N 269.360 4.572 30 10 CJEE C[C@H]1C[C@H](C2(C#N)CCC(F)(F)CC2)CC[C@H]1C 2065258384 HSWXNYKTYPTREM-FRRDWIJNSA-N 255.352 4.778 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@H]1CC[C@H](C)CC1)NCCC 2072798306 INHWIRMKMHYGDH-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE CC#CCCCNc1ccc(Cl)cc1C(F)(F)F 2073667481 APHIYOQYERFKBF-UHFFFAOYSA-N 275.701 4.574 30 10 CJEE CCCCCCCCN(C)CC1CC(C(C)C)C1 2074910517 CVPPINBGOSBFSF-UHFFFAOYSA-N 253.474 4.961 30 10 CJEE CCCCCCCCCC[C@@](O)(C(F)F)C1CC1 2077231182 JGCJTIARUGAWMA-HNNXBMFYSA-N 262.384 4.923 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@@H]1C1CCC1 2079347731 AJKFCGZTJJWMMJ-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE C=CCC[C@](C)(O)C[C@H]1C[C@@H]1C1CCCCCC1 2079567093 XPXRRINEVZSNAD-ZACQAIPSSA-N 250.426 4.700 30 10 CJEE CCCCCC#CC[C@]1(O)CCC[C@@H](CC)CC1 2083391310 LMLUPRMQRWFZQT-SJORKVTESA-N 250.426 4.682 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1ccc(-c2cccs2)s1 2085129534 XTGXCFIOGAGCHB-RYUDHWBXSA-N 277.458 4.949 30 10 CJEE C=CCCCCCCC(=O)c1sc(OC)nc1Cl 2085842189 OFYPCAZZGXOUGU-UHFFFAOYSA-N 287.812 4.514 30 10 CJEE C=CCCCCCCCC[C@H](N)C[C@H]1CCSC1 2086263380 HCBLHMXRESFHHU-CVEARBPZSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@@H](C)C(F)F 2086263443 HPQHEGPSLNMPGQ-ZIAGYGMSSA-N 262.384 4.945 30 10 CJEE CC1(CCC(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CC1 2088039376 JLKXXUCVZBKKMI-JTQLQIEISA-N 296.197 4.750 30 10 CJEE C=CCCCCC[C@H](NCCC)c1nc(C)sc1C 2088550969 RPCYQXCVFAOZQI-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE CC1(C)CCC[C@](C#N)(CCCCCC2CC2)C1=O 2089048266 PENHZVAGQMBADX-KRWDZBQOSA-N 261.409 4.636 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](CS)C1CCC1 2089765425 CNUWPQIOGBJRBS-GXTWGEPZSA-N 297.895 4.679 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@H](C)CCC 2090886954 LFCUKCFVLPUXGS-HZPDHXFCSA-N 270.457 4.883 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)C1(CC)CC1 2091094698 LBNKISABFQVBJY-MRXNPFEDSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1ccsc1 2091358377 JDIZJMJVQYABRY-CVEARBPZSA-N 283.481 4.510 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](O)CCC 2092198651 GZOHKBWIFNTUEU-SJORKVTESA-N 271.489 4.656 30 10 CJEE N[C@@H](CC#CC1CCCCC1)c1cc2sccc2s1 2093443586 LREDVMWVJDICGV-ZDUSSCGKSA-N 289.469 4.936 30 10 CJEE CC1C[C@@H](C)N(CC2(CS)CCCCCC2)[C@H](C)C1 2094333234 ZLKGBMLVLUPRDS-HZPDHXFCSA-N 283.525 4.766 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@H](CN)C1 2094699108 SAJZMFNLCGSBSZ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC[C@H](O)C1(OC(C)C)CC1 2095119426 YWILFMSBGHVVJW-INIZCTEOSA-N 270.457 4.836 30 10 CJEE C=C([C@H](O)[C@@H](c1ccccc1)[C@@H](C)CC)C(C)(C)C 2096633330 QJLCVTUSXTUETP-XKQJLSEDSA-N 260.421 4.780 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2sccc2Cl)CC1 2100869366 CDGQJWNYIAGPBK-DZGCQCFKSA-N 297.851 4.935 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC[C@@H]2CCCCO2)CC1 2100883764 SYIXEQXOJLDSJF-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1ccc(SC(F)(F)F)cc1 2102111122 KSNYJXLNBDIQAO-MFKMUULPSA-N 289.366 4.901 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 2102477097 LUFIGLDDYVYUDA-HZMVEIRTSA-N 261.453 4.537 30 10 CJEE C=C[C@H](NCCC)c1ccc(-c2ccccc2)cc1 2107995011 CRMDJKJGJCZNQR-SFHVURJKSA-N 251.373 4.580 30 10 CJEE CCCCCCCC[C@H](NCC)C1(OCCC)CC1 2110262483 YEUYDZNNTSBMDJ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CC1(C[C@@]2(CNCCC)CCCC2(C)C)CCC1 2111721321 KOAMTKUWOJBYAS-GOSISDBHSA-N 263.469 4.929 30 10 CJEE N#CC1(Nc2ccc(Cl)cc2)C2CCCC1CCC2 2112825036 IICXYPSTRDFLFB-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE C=C(C[C@H](NCCC)c1cccc(C)c1)[Si](C)(C)C 2113320128 RJGZGGSSJALUQG-KRWDZBQOSA-N 275.512 4.859 30 10 CJEE C=C1C[C@@H]1C[C@]1(CNC(C)(C)C)CCCCC1(C)C 2117014640 ALNDSLALWBOBKO-QAPCUYQASA-N 263.469 4.927 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CCCCC12CC2 2117045909 PAFGSSIBHCHXOF-GXTWGEPZSA-N 276.342 4.895 30 10 CJEE CCC#CCC(=O)c1ccc(-c2ccc(F)cc2)s1 2117489568 LJFYBZLILCSLON-UHFFFAOYSA-N 272.344 4.540 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2c(c1F)CCC2 2121584902 RYJFKFKVDCFVQP-MRXNPFEDSA-N 264.384 4.708 30 10 CJEE C=C1CC([C@@H](NCCC)c2cc(Cl)c(C)cc2F)C1 2125660847 BBRFLIVLEMHNJK-MRXNPFEDSA-N 281.802 4.794 30 10 CJEE C=C1CC(C[C@H](NCC)C(C2CCC2)C2CCC2)C1 2125729328 REUQZIQMIVOCQN-KRWDZBQOSA-N 261.453 4.537 30 10 CJEE CN(CCCCCCS)CC1CC2(C1)CC(C)(C)C2 2126846956 SEFAPXOXTQDIAR-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CCCCCCCC[C@@H](O)CCCOCC1CCC1 2128282648 UHXFKBZIUBIYLS-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@]1(O)c2ccccc2CC[C@H]1C 2129023205 CTKCOOUHZWWTSH-CRAIPNDOSA-N 260.421 4.817 30 10 CJEE CCCCCCCCCCC(=O)CC(C)(C)[C@H](C)N 2129045624 BDODSMBOQKEUHE-HNNXBMFYSA-N 269.473 4.850 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1C[C@@H]1OC 2131641270 WWGCHDRLBCTEBG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@H](CC)C(C)C)CC1 2134140767 CSASSTNNIQTTLI-GMRIPVOYSA-N 265.441 4.530 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2C[C@H]2C2CCCC2)CCC1 2135326681 BQPGIOFCVMZXAR-BBWFWOEESA-N 261.453 4.537 30 10 CJEE CCC[C@@H]1C[C@H]1C[C@@]1(C#N)CCCc2ccccc21 2135735129 QRBIZKGFXGJCBV-SOLBZPMBSA-N 253.389 4.611 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2136076577 JRCHRPQPYRNKFC-NOZJJQNGSA-N 292.728 4.995 30 10 CJEE CCCCCCCC[C@H](NC)c1ccnc(C)c1C 2137011090 NKMYSOHAIXKWGE-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1CCC[C@@H](CC)CC1 2138960132 YPKROUOLOINRDH-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2138964601 XRNMYIICVUKBQG-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CCCCCC#CC[C@H](NCC)C1(C(C)C)CCC1 2138983339 FLIOGSNULFZHNI-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@]1(CNCC)CCC[C@H](C)C1 2139010150 ZXXFYACAPJDRBU-ROUUACIJSA-N 263.469 4.766 30 10 CJEE CCCCC#CCC(=O)[C@H]1C[C@@H]1C1CCCCCC1 2139056523 SNNRANJAWPOJHB-SJORKVTESA-N 260.421 4.746 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc([C@H]2C[C@H]2C)o1 2141907588 GPTJWOYRJHJSAY-ILXRZTDVSA-N 261.409 4.929 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2141910600 ZNLDADYMJQTBDA-CBBWQLFWSA-N 272.379 4.555 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2141922849 RGUFLEWMXXPSRX-ZQDZILKHSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCCCCC(=O)c1n[nH]cc1C 2142396503 FGXQPDVRHMWXOK-UHFFFAOYSA-N 262.397 4.598 30 10 CJEE C=CCCCCCCCC[C@H](CC[C@@H]1C[C@H]1C)NN 2142442382 VPFJYENVFSLWBV-BRWVUGGUSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCC[C@H](O)C1(OC)CCCC1 2142449842 FFLZKHPOJHNZEK-INIZCTEOSA-N 268.441 4.613 30 10 CJEE C[C@@H]1NC(=NCC2CC(C)(C)CC(C)(C)C2)SC[C@@H]1C 2143481617 IBVIGGFOJYZNMA-STQMWFEESA-N 296.524 4.556 30 10 CJEE CCC[C@@H](N=C1N[C@H](C2CCCC2)CCS1)C1CCC1 2143553768 LLPVYVTXVJGNGD-CVEARBPZSA-N 294.508 4.597 30 10 CJEE CCN[C@@H](CC#CC1CC1)C1CCC(C(C)(C)C)CC1 2146414604 DEQYXMIWRIBMDR-ABHNRTSZSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CCC[C@@H](CC(C)C)C1 2148581047 CCDMNDZFSZKKET-BZSNNMDCSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)CC1CCCC1 2148584103 VBUGWCGZFZBLLJ-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)C1(CCC)CC1 2148587625 LXVQWPUZQBOGNE-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@](C)(O)CC1CCC1 2148612061 JWFSMQFUJJZKQU-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1NCC1(C)C 2148964327 MKAJMLKYFMQAFO-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCC[C@]1(C)CSC(=Nc2cccc(C3(C)CC3)c2)N1 2149591700 SLVQHGOXFPWSTM-QGZVFWFLSA-N 288.460 4.621 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1ccc(Cl)c(F)c1 2149856661 AEXLSFMONQUUDR-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CCCCCCCCO[C@@H]1CCCCCC(F)(F)[C@H]1O 2152699357 ZHBXBVNJXMTWFA-CABCVRRESA-N 292.410 4.692 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc3c(c2)CCCC3)C1 2152833587 SZZDMTJWNKGHMC-HNAYVOBHSA-N 270.416 4.503 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@@H]2CCC)CC1 2152960081 GHJYHEMMJTXKPA-IKJBURDNSA-N 277.452 4.818 30 10 CJEE C1CCCCC(N=C2N[C@@H](CC3CC3)CS2)CCCC1 2153460405 FUXSCPMUSUMKQR-INIZCTEOSA-N 294.508 4.741 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cn(CCC)cn1 2154400058 POQKSLICAMLWKO-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1CC(C(F)(F)F)C1 2154552716 VHFVMHNWUHQGMB-YMAMQOFZSA-N 289.385 4.527 30 10 CJEE CCCCCCCCC[C@@]1(CNC)C[C@@H](OC)C1(C)C 2156666793 VUIGDRGHSATTHH-AEFFLSMTSA-N 283.500 4.778 30 10 CJEE COCC1(C[C@]2(C=O)CCCC(C)(C)CC2)CCCC1 2157107632 SVQADHMINKHXNG-KRWDZBQOSA-N 280.452 4.759 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCN2CCCCCC2)CC1 2157116612 GLBLFLIOHSWYOD-SFHVURJKSA-N 276.468 4.753 30 10 CJEE C[C@@H](N(C)c1ccc(Cl)cc1C#N)C12CCC(CC1)C2 2157594499 YOTWJGGTELDMMC-SFYCDEOASA-N 288.822 4.617 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2cc(C#N)cc(Cl)n2)CC1 2159433116 ASXKGIAFKGSKQR-JSGCOSHPSA-N 291.826 4.768 30 10 CJEE Cc1cc(Cl)ccc1CO[C@H]1CC(C)(C)CCC1=NO 2161991570 QNDMADNVMIEYNP-HNNXBMFYSA-N 295.810 4.574 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(-c2ccc(F)cc2)o1 2163958674 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275.480 4.765 30 10 CJEE CC(C)(C)CC1CC([C@@H](O)[C@@]2(C#N)CCCC2(C)C)C1 2289933102 DOXMATPTDLWMLK-HNFMNYKYSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCC[C@@H](OCCC(=O)O)C1CC1 2290587405 VKLYMEHXWQHBEQ-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=CC1(C[C@](C)(CCCCC)OCCC(=O)O)CCC1 2290719847 UMOJQEUDMHZZEA-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC1(C)C)OCC(=O)O 2291745692 SZLZDYDSQXIPTP-GJZGRUSLSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC1(OCC(=O)O)CCC(C)CC1 2292419582 WGFUKPWONFNNHI-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1cc(C)co1 2292765591 FGXHKDSKRCZAGU-MRXNPFEDSA-N 279.424 4.521 30 10 CJEE C=CCCCC[C@@](C)(OCCCN)c1ccc(Cl)cc1 2293270151 YSUUOHSNKYXRFP-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE C=CCCCCC1(OCCN)CC(C)(C)CC(C)(C)C1 2293300871 LGRHJXLRYYVTGY-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=CC1CC(CC[C@@H](C)CCCC(C)C)(OCCN)C1 2293571481 BFMYRSNBJMCMBI-AOCRQIFASA-N 281.484 4.539 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)CC1 2295234027 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2321135115 SMRXOBDICZDKAO-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CCc1ccc(Cl)cc1 2321221639 BMCQQHVZFYCQKY-HOTGVXAUSA-N 266.812 4.626 30 10 CJEE C=CCC(CC=C)S[C@](C)(CC(C)(C)C)C(=O)O 2327017354 DWSKNZVDGHXYNJ-OAHLLOKOSA-N 270.438 4.520 30 10 CJEE C=CCn1c(C=Cc2ccccc2)nnc1SCCCC 2327506718 ILCLFNOVLJPOIY-UHFFFAOYSA-N 299.443 4.527 30 10 CJEE C=CC[C@H](C)OC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 2335111395 WKNXIICOTFMSGG-SWLSCSKDSA-N 280.795 4.587 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC1CC2(C1)CC(C)(C)C2 2337151267 NLCJDVSFZISIIA-CVEARBPZSA-N 261.453 4.537 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(C)c(OC)c(Cl)c1 2337680610 RUQXBGBYAPKEDP-OAHLLOKOSA-N 282.811 4.827 30 10 CJEE C=CCC(CC=C)C1(CO)CCC(C(C)(C)C)CC1 2338695490 KPEOWCRRZCCJBM-UHFFFAOYSA-N 264.453 4.970 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCCc2sccc21 2338738973 RAKIVCHTHKTUPA-RDJZCZTQSA-N 275.461 4.524 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCC12CCC2 2339251410 RXWUJOCTHFBXKP-YFHUEUNASA-N 255.405 4.843 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(OC)c(Cl)s2)CC1 2340259491 ZPNZRTRPTNTVHY-LBPRGKRZSA-N 299.867 4.807 30 10 CJEE CCCCCCCCCC1(F)CC(N)(C(F)(F)F)C1 2340420672 LLOWYDWPKLEYCJ-UHFFFAOYSA-N 283.353 4.889 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(F)ccc1C1CC1 2341788037 IYILKJSNIJUZBQ-SJCJKPOMSA-N 261.384 4.566 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2341898068 QROMQEUFEHYKSJ-KFGODFMUSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(COC)s1 2342247772 KJAQEDBIPOQDBP-AWEZNQCLSA-N 283.481 4.733 30 10 CJEE CC[C@H](CN(C)C[C@](C)(CS)C(C)(C)C)C(C)(F)F 2352094246 CTYGEKVRVCGFNA-TZMCWYRMSA-N 295.483 4.582 30 10 CJEE C=CCCCC[C@H](O)C1CCC(CC(F)(F)F)CC1 2353611046 RRLPAUIPPQIKLE-RUXDESIVSA-N 278.358 4.853 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H]1CCCCCC12CC2 2353844678 DKXJYIIJTWUGAX-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2358670692 ZEBGBAHTTRRRMQ-ICBNADEASA-N 275.480 4.879 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]1CO2)NC 2359077239 PBPDGZSWRDPPNV-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@@]12CCCC[C@@H]1CC2 2359891176 DSAVVMCNYCWTOO-CEXWTWQISA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@H]1C)NC 2360180154 SXLSMRXLBCDZCR-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](NC)c1ccc(C)cc1 2360336147 HSMWPHLDIHFSGT-MAUKXSAKSA-N 289.488 4.898 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1 37937253 LXKSSRHYMJGVJI-CQSZACIVSA-N 277.154 4.670 30 10 CJEE CC(C)(C)c1ccc(Cn2cc(C#N)c3ccccc32)cc1 41464889 IHKVJFXULYWXOB-UHFFFAOYSA-N 288.394 4.859 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(OC)cc(OC)c1 59089800 WBVCIFBMWLHRCR-CQSZACIVSA-N 279.424 4.865 30 10 CJEE O=C(C1=CCCCC1)c1cc(Br)ccc1Cl 71126415 WRRVUVIWSKFCPV-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 71276978 WUAPRHJEPQPPQH-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccc2sccc2c1 88127434 BRQGAYQHHJFUBR-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE CC1(C)CC(C#N)(Sc2ccccc2Cl)C1 90234107 SYEUCNIKPSXUSA-UHFFFAOYSA-N 251.782 4.514 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@H](C)CC2)CC1 91903234 GBLQYHKLSBERPG-BFWZDYSYSA-N 277.452 4.818 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H]2CCC[C@@H]21 94577893 HZIARTYKDJKRAZ-CVEARBPZSA-N 283.525 4.767 30 10 CJEE CCC(CC)N(CC(C)C)C[C@@H](CS)C(C)(C)C 94582110 MTADXEUXCSYDHN-AWEZNQCLSA-N 273.530 4.725 30 10 CJEE COc1ccc(OC[C@@H](CS)C(C)C)c(C(C)(C)C)c1 94583380 FRIKFSQQVYKNTA-ZDUSSCGKSA-N 296.476 4.574 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1\C(=O)C[C@H]2[C@@H]1C2(C)C 107144757 XFVXJCUKDGDYGB-CFECOQAVSA-N 291.394 4.771 30 10 CJEE CCCCCCC[C@@H]1Cc2ccccc2[C@@H]1NCC 109658700 VMWBOKXKNYCJPC-SJLPKXTDSA-N 259.437 4.870 30 10 CJEE C=CCSc1ccccc1N[C@H](C)[C@H]1C[C@H]2C=C[C@H]1C2 109900771 ARNCPXDQJBXNIF-FXUDXRNXSA-N 285.456 4.977 30 10 CJEE CCc1c(-c2ccc(C(C)(C)C)cc2)sc(C#N)c1N 110025641 LTXZAOAGBIDOJQ-UHFFFAOYSA-N 284.428 4.729 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC[C@H]1NCC 110070255 GYHIRZNEQULHRD-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCC1CCC(Nc2ccc(C#N)cc2Cl)CC1 110255673 NOPZYMCDEHEJGH-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE Cc1ccc2cccc(Nc3cc(Cl)ccc3C#N)c2n1 110258353 BLUWNOKFICPMQI-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE C[C@H]1CCC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 110310518 GATLBRXQYFDGHT-WFASDCNBSA-N 282.412 4.975 30 10 CJEE CCCCCCCC[C@@H](Cc1ccsc1)NC 115063784 XITNONLIIIUVDU-HNNXBMFYSA-N 253.455 4.629 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H]1CCC[C@H]1C#N 115857525 FFIKSNVMJUHBFH-DLBZAZTESA-N 292.467 4.716 30 10 CJEE CCCCCCC[C@H](CO)c1cccc(Br)c1 118857523 NXMXLMOUBNWTHC-CQSZACIVSA-N 299.252 4.886 30 10 CJEE CC#CCC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 124731430 HKBDSCDMOJSFQN-OSVATCMCSA-N 287.491 4.765 30 10 CJEE CC1CCC(C#N)(Cc2cc(F)ccc2Cl)CC1 126013080 QGPIDTZOIAEDEW-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ccnc(C)n1 132436273 QGSYFGFFCJWKFE-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cncc(C)c1 135557291 WBGQFMFDOJSBAD-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CCCCCCC[C@H](CCc1ccco1)NCCC 139686620 FGZFYYJSZMFITE-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cc(CC)nn1C 140441006 MSCSWUPINYLELJ-QGZVFWFLSA-N 293.499 4.774 30 10 CJEE CCCCCCCCCCC[C@@H](C=C(C)C)NN 158709415 PDXBYSHVHVZUFK-INIZCTEOSA-N 254.462 4.705 30 10 CJEE CCCCCCCCC(=O)[C@]1(OC)CCC[C@@H](C)C1 161009565 YAMJLQFGRBSXAI-WBVHZDCISA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@H](C)O1 165092972 UADPHFCBMWVMIQ-HOCLYGCPSA-N 254.414 4.654 30 10 CJEE CCCCCCCCOc1c(F)cccc1CNCC 165300415 FDGJLMYRMCTUIG-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CSc1cccc(N[C@H](C)c2ccccc2C)c1C#N 167583736 GLBYBZDHOWAWMU-CYBMUJFWSA-N 282.412 4.762 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 226592156 HCSXBJNCPVYSHU-MXWKQRLJSA-N 296.197 4.606 30 10 CJEE Cc1cc(Nc2ccc(Cl)c3cccnc23)ccc1C#N 227861879 AJBFLTLRKZPZTJ-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 228821643 IJVXWUHDCQCMJA-LSDHHAIUSA-N 257.421 4.571 30 10 CJEE CCCCCCC[C@H]1C[C@H](NCC)c2ccc(F)cc2O1 229339207 JQRZHUGDWLFHAG-RDJZCZTQSA-N 293.426 4.988 30 10 CJEE CC(C)(C#N)CCCCSc1cc(N)ccc1Cl 232523915 GOMDVLJRWNITMJ-UHFFFAOYSA-N 282.840 4.734 30 10 CJEE CCCCCCCCNCc1cc(C)ccc1F 232929840 BUNUXCNDKNJHKG-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE CCCCCCC[C@H](O)c1cnc(C(F)(F)F)s1 232945113 WQOBJEZZFKZRMQ-VIFPVBQESA-N 281.343 4.556 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](OC)C(C)(C)C 233124343 OBHDFWKFUIYIPJ-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=CCCCCCNc1cccc(C)c1Br 235784733 NSNVQJAMGKIDPR-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1ccc(Cl)c(Cl)c1 251904155 XDCHPUTYJKKICD-SWLSCSKDSA-N 297.229 4.823 30 10 CJEE Cc1ccc2c(c1)[C@H](C1CCCCC1)[C@H](C#N)CC2 260503617 HMQXPWLLYWKLSP-FUHWJXTLSA-N 253.389 4.745 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cc[nH]c1CC 286495838 MZWZXTRGSWZJFL-UHFFFAOYSA-N 296.414 4.681 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 300010306 YUNLFIUHZDTCRB-BZUAXINKSA-N 261.409 4.588 30 10 CJEE CC(C)CC(CC(C)C)Nc1ccc(C#N)c(F)c1 307928905 SMRMMALAEQEFJU-UHFFFAOYSA-N 262.372 4.570 30 10 CJEE N#CCc1sccc1-c1cc(Cl)ccc1Cl 309199773 WTVDRFMDQNHROW-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccccc2)C1 309643637 PMBTUNVMNZBJJY-GUDVDZBRSA-N 298.474 4.863 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2snc3ccccc23)C1 311335637 IGRLIDHTJHLQKV-MLGOLLRUSA-N 270.401 4.658 30 10 CJEE CC(C)CC[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 312246394 BLXVCIVOECXKJI-NXYGQSRBSA-N 279.468 4.920 30 10 CJEE CCC[C@H](Nc1cc(C#N)cc(F)c1C)C1CCCC1 313418335 DSSUYAAMGMKMAD-INIZCTEOSA-N 274.383 4.777 30 10 CJEE CCC1CCC(C=O)(Cc2cc(C)ccc2C)CC1 317817722 DOXKVNVVKYKQLF-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN(CC)C1 328509987 NFFRTCLFATWEDI-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@@H](OCC)C1(C)C 378770082 WMGYJTPIUIEMRE-GDBMZVCRSA-N 268.441 4.757 30 10 CJEE CCCCCCC[C@@H](Cc1csc(Cl)c1)NC 383252345 RJFKSPKZDZXRHV-ZDUSSCGKSA-N 273.873 4.893 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1ccc(Cl)cc1Cl 384936284 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CC(C)(C)C#CCCN[C@@H]1CCCCC[C@H]1C(F)(F)F 2238716561 XTSJUFPBSKZTIT-ZIAGYGMSSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCO[C@]1(CNC)CCC[C@H](C)C1 2239458112 XYJIGDKAISJZSV-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCOCc1cc(CNCC)co1 2239465376 VZUJZFGUEUQHEV-UHFFFAOYSA-N 281.440 4.656 30 10 CJEE CCCCCCCCCOC[C@H]1C[C@H]1CNCC(C)C 2239467286 JRSJVGMWMFHTOY-ZWKOTPCHSA-N 283.500 4.635 30 10 CJEE CCCCCCCCCO[C@@H]1CCC(C)(C)[C@@H]1NCC 2239468478 QOFDDFAPGUVDRD-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@H]1CC[C@@H]1CNC1CCC1 2239469391 UHXHEIRVUOMUNZ-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(O)C#Cc1cccc(Cl)c1 2239489789 LNJFFUSSAPBDLT-MSOLQXFVSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCCOC[C@H]1CCCCNC1 2239552454 ZIMMTFABXQZNRW-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCCOC[C@H](NC)[C@H]1C[C@H]1C 2239554680 NFXPCVDRUUQVDJ-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE O=C(Cc1ccc(C2CCC2)cc1)C1=CCCCCC1 2240374009 NQBNFXBQBIRTOD-UHFFFAOYSA-N 268.400 4.956 30 10 CJEE CCc1cc(Cl)ccc1NCc1ccc(CC#N)cc1 2240493838 XVKDIEQQLZWHTB-UHFFFAOYSA-N 284.790 4.581 30 10 CJEE CCCCCCCC[C@@H](C)Nc1ccc2c(c1)OCO2 2240643434 XRCBFKRLODQJAY-CQSZACIVSA-N 277.408 4.966 30 10 CJEE CCC[C@@H](CC)[C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 2242039649 IGKXZFUJNRJNTF-CABCVRRESA-N 296.455 4.598 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC[C@@H]2CCC[C@H](C)C2)C1 2253999513 XUCKYHFDRATTTL-YVSFHVDLSA-N 250.426 4.988 30 10 CJEE N#Cc1cccc(F)c1Nc1cc(Cl)cc(Cl)c1 2254564240 LSIYEQXAJYEBTE-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE COc1cc(Cl)c(C(=O)C2=CCCCC2)cc1Cl 2255448698 GOUPZCPIQDDQBX-UHFFFAOYSA-N 285.170 4.685 30 10 CJEE Cc1cc([C@H](O)CC=CC#CC(C)(C)C)sc1Cl 2256774330 PDHOMHULXNCOKK-GFCCVEGCSA-N 282.836 4.739 30 10 CJEE C=C1CC(C[C@@H](NC)c2cc(Cl)c(Cl)cc2C)C1 2258585439 IIPLBKCZUYQAKS-OAHLLOKOSA-N 284.230 4.919 30 10 CJEE C=C(C)CCCC[C@@H]1CC(C)(C)C[C@@H]1NCCC 2259240015 VOTCKHCBFZIIPR-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCCC[C@@H](C)OCCN 2262550371 IUAQQMJORMOAPL-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C=CCC1(NCC[C@H]2CCCCC23CC3)CCCC1 2265003435 LMWHZODFRJACAW-MRXNPFEDSA-N 261.453 4.825 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCC1(C)C)NN 2266328245 INHNKVWEXBBEKP-HZPDHXFCSA-N 268.489 4.785 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1c(F)cc(Cl)cc1F 2266835490 SLVMLCKEGVOLIV-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCC#CCC(=O)c1cccc(OC)c1Cl 2268070239 YQCKXEAWQHXSNK-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE Cc1cc(Nc2c(C)cccc2C#N)cc(C)c1C 2270611751 QPTYNFPAYKULEI-UHFFFAOYSA-N 250.345 4.536 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ncccc1Cl 2271789924 BOOYAQOMGBCJRA-OAHLLOKOSA-N 280.843 4.912 30 10 CJEE CCC[C@](C=O)(CC)CN(CC(C)C)C(CC)CC 2272078742 MKTSPDJSEGQBNZ-QGZVFWFLSA-N 269.473 4.528 30 10 CJEE C[C@](C#N)(C[C@]12CCCC[C@@H]1CC2)c1ccccc1 2273468567 ULLWLDNAKNNEDC-KZNAEPCWSA-N 253.389 4.828 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(O)C#CC2CCCCC2)C1 2274061335 HICTVMVPNSSKOP-FUHWJXTLSA-N 262.437 4.538 30 10 CJEE CC(C)C1CCC(C(=O)CC#CC2CCCC2)CC1 2274130080 LJTDVGZMJIGZEP-UHFFFAOYSA-N 260.421 4.602 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C(C)(CC)CC 2274139255 RTLYZSMNTBLGRW-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1cscc1C 2276155879 TYIUWHFSHCTZFK-INIZCTEOSA-N 281.465 4.600 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)C(C)(C)CC 2276209383 CGNFYDXLXZLMQM-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C=CCC[C@@](C)(CCCCCCCC)OCCN 2276724945 LMRZIYDFHKXEHU-KRWDZBQOSA-N 267.457 4.592 30 10 CJEE C=CC[C@H](CC)N[C@H](c1ccccc1)C1CCCC1 2278270819 AHALKYHJWBOKKX-ZWKOTPCHSA-N 257.421 4.862 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H]1CCC1(C)C)NC 2280963685 MZKSHQIAGJUDLO-BBWFWOEESA-N 283.500 4.512 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc(Cl)ccc2OC)CC1 2283321294 XSWPZQXVGQPIGY-CYBMUJFWSA-N 293.838 4.746 30 10 CJEE CC(C)(C)c1cccc(NC[C@@H](C#N)C2CCCC2)c1 2285739251 VHJQEFBIKRZJGK-OAHLLOKOSA-N 270.420 4.726 30 10 CJEE C=CCCCS[C@@H]1CCCc2ccccc2[C@H]1NCC 2287065087 IVWDULMETAOIKF-QZTJIDSGSA-N 289.488 4.742 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc2ccccc2cn1 2287470255 OIOWEPVEEVHDAL-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=CC[C@]1(COCCCCCCCCCC)CCNC1 2287843769 GDGDWAQLXOTNCJ-SFHVURJKSA-N 281.484 4.700 30 10 CJEE CO[C@@H]1C[C@@](C=O)(CC[C@@H](C)CCCC(C)C)C1(C)C 2287866939 GGPIFVOXEWNZLU-LZLYRXPVSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCCC1(C)C 2290606361 XPCFEIFZZWWGNV-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCC1(OCCC(=O)O)CCC(C)(CC)CC1 2290665090 XOAUERLRIVMWSE-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)C[C@@H](C)[C@H]1C 2291585252 BFTONGQSPFAGPG-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@H](OCC(=O)O)[C@H](C)C(C)C 2291806810 IBRXPDAYEBOKSG-CVEARBPZSA-N 284.440 4.665 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@H]1C)OCC(=O)O 2291953268 ZQFYSIQZNYSWEZ-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE C=CCC[C@](C)(CC[C@H](C)CCCC(C)C)OCCN 2292790289 CEYFYFFKGGMPAK-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE C=CC1(C[C@H](NCC)c2nc3ccccc3s2)CCC1 2295380515 KRNAAFKIEJDQIY-AWEZNQCLSA-N 286.444 4.693 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1ccccc1 2295673440 HYNJQRQJGOWGMG-QZTJIDSGSA-N 277.452 4.578 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](OC)C(F)(F)F 2295679351 ONRXBMYSFOUZEZ-KGLIPLIRSA-N 297.405 4.683 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccc2scnc2c1 2296149085 SGDAGGNPWDODMW-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2CCC(C)(C)C2)CCS1 2302763124 KBGNEGSKOCNRPZ-UMVBOHGHSA-N 251.439 4.628 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1c(F)cccc1Cl 2313531087 FIUHSZMTWGVIBZ-LLVKDONJSA-N 267.775 4.651 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1c(Cl)cc(N)cc1Cl 2315464247 ZHKKZAYYCKNZTR-ZANVPECISA-N 285.218 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1sc(Cl)cc1OC 2321114489 AGYPQSHUHJLALT-UONOGXRCSA-N 287.856 4.663 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1OC 2321136211 BCHWVQTXCUVQEN-UHFFFAOYSA-N 287.186 4.787 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC(F)F)NCCC 2321149438 XQDONBDEAALXKI-ZFWWWQNUSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2321237047 JRQRBSNCIQIFTF-GJZGRUSLSA-N 287.230 4.889 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321552732 OHAZTBOQZQZYKG-RYUDHWBXSA-N 262.315 4.505 30 10 CJEE C=C(C)CN(Cc1cc(F)c(Cl)cc1Cl)C(C)C 2325258305 JSHWIYYOLCIBAD-UHFFFAOYSA-N 290.209 4.919 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@H]2CCC[C@H]2C(C)C)CCC1 2330721208 JKVWJADDHZCQRO-GVDBMIGSSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 2332235279 IKOIRLHGDKQUEK-MNWMBMHPSA-N 263.469 4.760 30 10 CJEE CC(C)(C#N)CCCCOC(CC1CC1)CC1CC1 2335092945 GKKNMZRLDCHNML-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C=CCC(CC=C)Sc1nc(C)c(CNCCC)s1 2335238533 NRWQDMKELQTGPD-UHFFFAOYSA-N 296.505 4.564 30 10 CJEE C=CCC(CC=C)Sc1sc(CNC2CC2)cc1C 2335242417 QLUIRRMCEIQHPQ-UHFFFAOYSA-N 293.501 4.921 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C[C@H]2CCC2(F)F)CC1 2335423905 LENAXIXFNZGONW-CHWSQXEVSA-N 270.363 4.764 30 10 CJEE CC(C)[C@@H]1CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2338160449 YKKATRFPVPBPHB-AWEZNQCLSA-N 294.851 4.566 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@]1(C)CC=CCC1 2338730105 NJKQXYDZLQZAKX-QZTJIDSGSA-N 261.453 4.869 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C12CCC(CC1)CC2 2338739842 ZNYNLPNKWKVVBB-NXYGQSRBSA-N 261.453 4.703 30 10 CJEE C#CCCCCCCN[C@H](CC)CC1CCCCC1 2338803563 GQOGICMPVPDCIE-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=CCCCCC[C@H](NC)c1ncccc1C(C)C 2340239895 LPSXYRZXRLSKRD-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC(C)(C)C1)NN 2341706263 HRLUXHMRRPXZPK-HOTGVXAUSA-N 268.489 4.785 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc2ccc(Cl)cc2n1 2341927311 VHZCHFDQRBWUJC-INIZCTEOSA-N 274.795 4.505 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(F)ccc1C 2344336964 NEADHTOZENLCBM-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cccc(C(C)C)c1)NC 2344357069 PCBRCTNEJMDNGO-KRWDZBQOSA-N 259.437 4.543 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2CCC[C@H]2OC(C)C)C1 2344874988 RCIHOISFJUXZCI-VQHPVUNQSA-N 263.425 4.690 30 10 CJEE CC[C@](C)(CCCC(C)C)OC[C@@]1(CS)CC1(F)F 2351886400 YUALUBGPYFTPKD-ZIAGYGMSSA-N 294.451 4.953 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@H](C(C)C)CC1 2352014354 OXHGDZONGRTRKI-DZKIICNBSA-N 284.465 4.744 30 10 CJEE CCC1(C)CC(CN(C)C[C@](C)(CS)C(C)(C)C)C1 2352067842 HPCUQPSVDFOIMY-BDVYOWHSSA-N 285.541 4.727 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CO[C@@H](C)C2)c1Cl 2353185497 IRWWWKLYBYHTOS-CCUNJIBTSA-N 298.213 4.724 30 10 CJEE CC(C)C[C@H](CS)COc1cccc(C2CCC2)c1 2353835294 SBAOWAANEWDOAG-AWEZNQCLSA-N 278.461 4.925 30 10 CJEE CCSc1cccc(NC[C@@H]2C[C@@H]3CC[C@H]2C3)c1C#N 2359299363 UQPHLTYEOMIISF-RDBSUJKOSA-N 286.444 4.518 30 10 CJEE C[C@H](Nc1cccc(Cl)c1F)c1ccc(C#N)cc1 20472377 TWYUYNMFLFHNSV-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C=CCOc1ccccc1CN[C@@H](C)CCCC(C)C 34991176 NUBLGAGGHASLKV-INIZCTEOSA-N 275.436 4.556 30 10 CJEE CC(C)(C)c1cccc(Oc2ccccc2C#N)c1 37420715 CYQBJMZLSBRWAD-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE CCC(C#N)(CC)CCCOc1c(C)cccc1C 57714548 IDNYICBWVFMNIO-UHFFFAOYSA-N 259.393 4.792 30 10 CJEE CC(C)(CS)COc1ccccc1-c1ccccc1 94583422 NZHXQCIDTHMQHU-UHFFFAOYSA-N 272.413 4.688 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(OCCCC)cc1 97419342 UINBBMQYCANLKC-SFHVURJKSA-N 275.436 4.872 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 97419364 DVXWNBAFCXNHJN-RHSMWYFYSA-N 295.854 4.832 30 10 CJEE CCCCCCCCOc1cc(C)ccc1[C@@H](C)O 104413421 HCBQRDSLIRZCKB-OAHLLOKOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCCS[C@@H](C(=O)O)C(C)C 104731202 AZNLJRIQXXGCGQ-CYBMUJFWSA-N 260.443 4.579 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1cc(Cl)ccc1Cl 107564512 WJMRZUPIHBOLPK-IGJMFERPSA-N 259.176 4.664 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1c(C)cc(OCC)c(C)c1C 107638862 UUOMRBYXQURPDE-TZMCWYRMSA-N 258.405 4.773 30 10 CJEE Cc1ccc(C#N)cc1NC1CC(c2ccc(Cl)cc2)C1 109945271 HEURDKAOQYESEB-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE CCCCCCCCO[C@@H](c1ccccc1F)[C@H](C)N 109988709 CPXXKKFAGKGGLT-WMLDXEAASA-N 281.415 4.591 30 10 CJEE Cc1cc(C)c(Nc2cc(Cl)ccc2C#N)c(C)c1 110250654 UNGDQVSYBIUOMX-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE CCCCCCCCCCN(C)c1cccc(C(=N)N)c1 110322462 UHUZEJWBSBKQAA-UHFFFAOYSA-N 289.467 4.548 30 10 CJEE CCCCCCCCCN[C@@H](C)Cc1ccco1 110448990 VNNGLGBUHGPDII-HNNXBMFYSA-N 251.414 4.551 30 10 CJEE CCCCCCCn1cc(CCCN)c2ccccc21 113832433 APNFTYLAQTYRPL-UHFFFAOYSA-N 272.436 4.503 30 10 CJEE CCCCCCCCCCN1CCCN[C@@H](CCC)C1 114077426 CHQUBFVQOUXVFO-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCN1C[C@@](C)(C2CC2)NC[C@@H]1CCC 115247047 XJNNQBVCKVNASE-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NCC[C@@H]1C 115267633 QRPDDYIEVKNMPJ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCOc2ccccc21 115844295 ROJHIIFQYVRJSM-RDJZCZTQSA-N 275.436 4.631 30 10 CJEE CCCCCCC[C@@H](NCCC)C(CC)(CC)N(C)C 118169113 GRMVRRLNLJJSKQ-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCNCc1csc(CC)n1 124823525 INCVQRSPYNWSHI-UHFFFAOYSA-N 282.497 4.936 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(CCC)c1 125131542 NWXDSKZJODHIST-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnn(CCC)c1 125637083 KDEYIACGLGDZJN-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CSCCN1 125823867 ZCEZUGWGGCGGTP-MRXNPFEDSA-N 299.524 4.572 30 10 CJEE CCCCCCC[C@H](Cc1cc(F)ccc1Cl)NC 126598770 MLMMXJONDPEEJY-OAHLLOKOSA-N 285.834 4.970 30 10 CJEE C=C(C)CN(CC)c1ccccc1[C@H](CC)NCCC 127489456 JNNOPSLHFMHTCV-KRWDZBQOSA-N 274.452 4.540 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H](C)C(C)C 131280745 FUVQYNIDWCCPHI-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)cc(C)c1 131341403 GSCOTTBEHZHUPA-KRWDZBQOSA-N 262.441 4.558 30 10 CJEE CC(C)(C)c1ccccc1C(=O)[C@@H](C#N)c1cccs1 132710192 DEGMUSTYOZDGJX-ZDUSSCGKSA-N 283.396 4.536 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CNCCC 156191417 KLWIUOGBPOADMF-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@@H]1C 157933253 AQTKWUDVWOWZPN-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC(=O)CCc1cccc(N)c1 158044539 RMBXBXHGUCYGCE-UHFFFAOYSA-N 261.409 4.521 30 10 CJEE CCCCCCC[C@@H](N)c1cc2c(s1)CCSC2 158107349 WLOCFVAYEPSFGK-CYBMUJFWSA-N 283.506 4.898 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(C(F)(F)F)cc1 158912549 AEOVMWPKQZXZQS-MRXNPFEDSA-N 299.380 4.828 30 10 CJEE CCCCCCCCNCc1cc2ccccc2cc1N 159384285 GEZDCOHRZGTEFK-UHFFFAOYSA-N 284.447 4.872 30 10 CJEE C=C(C)CCNc1cc(C(F)(F)F)ccc1Cl 164416557 IQSXSKITRAGNTI-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE C=C(C)CC[C@@H](NC)C(CC)(CC)c1ccccc1 164586134 WAEDDBQYTCHRJC-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE N#CC1([C@H](O)c2ccc(F)c(Cl)c2)CCCCCCC1 164697279 ANMRUAXSCSXZFJ-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE Cc1cc(C#N)ccc1COc1ccc(C(C)C)c(C)c1 165537337 DXMYIVFMZWJVRY-UHFFFAOYSA-N 279.383 4.878 30 10 CJEE CCCCCCCCCCOc1c(F)cccc1CCN 166098293 FBZRXWYIRSEWOG-UHFFFAOYSA-N 295.442 4.846 30 10 CJEE CCCCCCCCCOC(=O)c1cc(N)cc(Cl)c1 166403812 RNVHZQDZBXLDRX-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CC#CCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 168109693 RBWQOHLOAWAPBK-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1CC 228095295 MXGYZWVCRHSMOI-ZNMIVQPWSA-N 290.538 4.725 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 228817033 PYMUJSHTSABIEC-PPJGCQSWSA-N 261.453 4.536 30 10 CJEE CCCCCCC[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1 229374694 PXMQOEQQFRAGSJ-DZGCQCFKSA-N 282.811 4.885 30 10 CJEE C#CCCCCN[C@@H](CC)c1ccc(Cl)cc1Cl 229642525 AXJOIBJIDUCNPR-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccccc1C(C)(C)C 229756210 OSGHYCSYFCIJLZ-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE Cc1ccc(N[C@H](c2cccs2)C(C)C)c(C#N)c1 232740532 WAVFRCMBWCBBIN-INIZCTEOSA-N 270.401 4.737 30 10 CJEE CCCCCCCOc1ccc(C=O)c(Cl)c1 232949587 IDANEMPYVLBCGD-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cc(C)c(C)cc2C)cc1 235870390 RHONBVHGNCBKFL-SFHVURJKSA-N 264.372 4.597 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 249798439 MIVWKQNHLBQNTG-BRSBDYLESA-N 278.484 4.996 30 10 CJEE C=CCCCOc1ccc(C2SCCS2)cc1 261426237 JDBKDAKASANOJS-UHFFFAOYSA-N 266.431 4.510 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCCC(F)(F)C1 302436204 VNQACPKERSOTOM-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](C)CSC 305930715 JKULCCILAUQDGU-LSDHHAIUSA-N 259.503 4.714 30 10 CJEE C=CCCCCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 311797783 DEGMUCDFFMFSGS-NUVRTYOOSA-N 261.453 4.537 30 10 CJEE Cc1cc(OC[C@H]2CCC[C@H](C)C2)c(C)c(C)c1C#N 312526294 JFPCZRCQXPQQMF-LRDDRELGSA-N 271.404 4.689 30 10 CJEE CCCCCCC[C@]1(C)CCC[C@H](CNCC(C)C)O1 312682511 NONGAAZUHDLVAK-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(OC)ns1 319667521 FHEQWWOCGDMGLT-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCCCCCC[C@@H](C)NCc1csc(C)c1 381231685 SOGJHKFEBJYNKQ-CYBMUJFWSA-N 253.455 4.895 30 10 CJEE CCCCCCCCCC/N=C1/N[C@H](C)[C@@H](CC)S1 386860539 JKTRFIASVANUNE-HUUCEWRRSA-N 284.513 4.987 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C[C@@H](C)C(C)(C)C 399418987 YVFDFPZMQSKSNS-SJLPKXTDSA-N 284.532 4.678 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1cc(Cl)ccc1C#N 401432189 YFDABBVKPHUHDY-GXTWGEPZSA-N 276.811 4.840 30 10 CJEE N#Cc1ccc(CSc2cccc(Cl)c2)cc1F 404711026 AIACLEYEGJKOLH-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE N#Cc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 514260052 BMEUWEPLWGBIIA-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE C#CCCCCC[C@@H](NCC)C1CCC(CC)CC1 686680753 DMNYGNGMAJDJHD-DAWZGUTISA-N 263.469 4.765 30 10 CJEE N#Cc1cccc(Nc2ccc(SC(F)(F)F)cc2)c1 690182451 SFBCNOXFFXLDBI-UHFFFAOYSA-N 294.301 4.914 30 10 CJEE Cc1ccc(Nc2cccc(SC(F)F)c2)c(C#N)c1 690184786 FQUNQBCZBUMUAH-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 692280845 MUBVEABUGLAGSL-SOMFZHDCSA-N 261.453 4.536 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCOC1(C)C 693171132 ZWJOVNXMNJTNJC-JKSUJKDBSA-N 270.457 4.693 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC(C)(C)CC(F)(F)F 694028997 YUXOETNKHUFWLR-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE CCCc1c(-c2cc(C)c(F)c(C)c2)sc(C#N)c1N 694969510 SAKTZVLBTUBMFI-UHFFFAOYSA-N 288.391 4.577 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC(C)(C)C(C)(F)F 697124886 RMRDDPFRUXAMKV-AWEZNQCLSA-N 261.400 4.638 30 10 CJEE CC[C@H](CC(F)F)C[C@@]1(C#N)CCCc2ccccc21 701496456 LYPKMSTVKYCJHP-CXAGYDPISA-N 277.358 4.856 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cccc(OC(F)F)c1 701918209 FKQFJBFTRDGNTH-GFCCVEGCSA-N 283.362 4.541 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1C(F)(F)F 705574775 VVPMKHAPSUYWQL-JQWIXIFHSA-N 289.316 4.850 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1c(C)cc(C)cc1C 710644645 YVKAWCNVNILNLY-HNNXBMFYSA-N 265.828 4.795 30 10 CJEE CCCCCCC[C@H](NC1CCC1)c1nc(C)cs1 712351534 CHXXRGHFKHZXIA-HNNXBMFYSA-N 280.481 4.995 30 10 CJEE C=CC[C@H](C)Oc1ccc(CNC(C)(C)C)cc1Cl 714969815 JYYYSSGKTPRUDN-LBPRGKRZSA-N 281.827 4.572 30 10 CJEE C=C(CN[C@H]1CCCCCC1(C)C)c1ccccc1 718964487 AENHDLTWVWKECX-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE CCCCCCCCC[C@]1(F)CCC[C@H](CN)C1 724017221 DSPFJYJIPWRFTN-HOTGVXAUSA-N 257.437 4.984 30 10 CJEE C=CCC[C@H](C(=O)N(CC)C[C@@H](C)CC)c1ccccc1 1126766623 CZHFWRZLEHRAFL-WMZOPIPTSA-N 287.447 4.631 30 10 CJEE C=C(CC)C(=O)Nc1cc(C)ccc1Oc1ccccc1 1149357266 MGHUPQAONROGBR-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=C(CC)CN(Cc1cccc(C)c1)Cc1ccco1 1167707875 HJKDUSATSVBSQZ-UHFFFAOYSA-N 269.388 4.556 30 10 CJEE C=C(CC)CSc1nc(C)nc2sc(C)c(C)c12 1188073710 BFTGGFJSDOFSIF-UHFFFAOYSA-N 278.446 4.675 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCOc2ccc(C(C)C)cc2)C1 1199571041 GDSUUJMHVODBEY-FUHWJXTLSA-N 287.447 4.523 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](C(C)C)CC2)C1 1205480850 MQTKBOOUSCNMQF-TVFCKZIOSA-N 263.469 4.926 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(F)c(OC)c(F)c1OC 1205861443 WONJOURCTAUQGB-NSHDSACASA-N 299.361 4.529 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1cccc(C2CCCCC2)c1 1207915890 CPWFJXORQTXVFO-GOSISDBHSA-N 298.430 4.917 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 1210299450 KDYWKNKXJBEDBY-AEFFLSMTSA-N 298.430 4.668 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)C[C@@H](C)C1 1251609007 LWIOBEBFALKJRT-CALCHBBNSA-N 294.483 4.591 30 10 CJEE C=CCC1(NC(=O)[C@H]2CCC[C@@H]2CCC)CCCCC1 1272726071 PYLACFBWZKJVOR-HOTGVXAUSA-N 277.452 4.598 30 10 CJEE C=CCCCCCCNc1nc(C)nc2scc(C)c12 1307115536 RMEZMPBNKIMKBS-UHFFFAOYSA-N 289.448 4.857 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccc(Cl)cc1 1308006004 LSQATLOQEYZKMN-HNNXBMFYSA-N 277.839 4.917 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(F)cc2F)CCCC1(C)C 1308725576 WDJGJJPFDYGVHN-KRWDZBQOSA-N 293.401 4.574 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@@](C)(CCC)C1 1312664624 DJVPKVYXKLSIPD-GOSISDBHSA-N 294.483 4.735 30 10 CJEE C=CCN(C(=O)[C@@H](CCC)c1cccc(Cl)c1)C(C)C 1349927671 ZLLNKFVSCBSCNU-INIZCTEOSA-N 293.838 4.647 30 10 CJEE C=C1CCC(C(=O)Oc2c(C)ccc3ccccc23)CC1 1438848521 NOSLPOWNAGUQCY-UHFFFAOYSA-N 280.367 4.800 30 10 CJEE C=CCCCCCN1CC[C@H](c2ccc(Cl)cc2)C1 1459508341 CAGKQOUTBZSNTC-INIZCTEOSA-N 277.839 4.876 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)CCCCC1 1459694902 XCBYNEMDFUSZQM-ZACQAIPSSA-N 291.479 4.702 30 10 CJEE C#Cc1cccc(N(CC=C(C)C)Cc2cccs2)c1 1473257418 OCWIYDKOBSJYEQ-UHFFFAOYSA-N 281.424 4.702 30 10 CJEE C=CCCCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 1473608171 MRTSDKVAOMUOFM-SFHVURJKSA-N 267.416 4.736 30 10 CJEE C=CCC1(NC[C@@H]2CCCCC2(F)F)CCCCC1 1473719940 XLZJXRXCAVOVPD-AWEZNQCLSA-N 271.395 4.681 30 10 CJEE C=CCC1(NCc2cccc(C3CC3)c2)CCCCC1 1474147178 YHZMNYRVOJHBDF-UHFFFAOYSA-N 269.432 4.933 30 10 CJEE C#CCC1(NCc2ccc(F)c3ccccc23)CCCCC1 1474720889 JJELRHLGNBPMIL-UHFFFAOYSA-N 295.401 4.795 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)CCCC1 1514864115 KAZUASYMSBAECJ-WMZOPIPTSA-N 297.442 4.528 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(OCCC(C)C)c1 1518802437 YREWQKXMGSLTNI-OAHLLOKOSA-N 289.419 4.652 30 10 CJEE C=C(C)c1cccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c1 1539122152 URAMLPFOSFWVBC-KBPBESRZSA-N 271.404 4.731 30 10 CJEE C=CCCCCCSc1cc(Cl)ccc1C(=O)OC 1559460184 YVDHXWSGHPPLSN-UHFFFAOYSA-N 298.835 4.965 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CC2CCC1CC2 1559513852 ITBXMEJTGFDJIV-SOAGJPPSSA-N 283.459 4.543 30 10 CJEE C=CCCCN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 1559568399 VUCNWUGJDNPVLT-GOEBONIOSA-N 261.409 4.581 30 10 CJEE C#Cc1ccc(CNc2ccc(F)cc2OC(C)(C)C)cc1 1560399753 YOOVUVWXCGCXHU-UHFFFAOYSA-N 297.373 4.596 30 10 CJEE C=CCCCCCCCNC(=O)c1cc2cc(C)ccc2o1 1583104808 ZTLMKFZIIFGZSF-UHFFFAOYSA-N 299.414 4.998 30 10 CJEE CCSCc1cccc(Nc2cccc(F)c2C#N)c1 1612020144 ASHLGPCXLAKENF-UHFFFAOYSA-N 286.375 4.694 30 10 CJEE C=CCN(Cc1ccccc1)c1nc2c(C)cccc2s1 1612189935 PVZMRIOJPHEKBU-UHFFFAOYSA-N 294.423 4.797 30 10 CJEE Cc1cc(C)cc(C#Cc2cccc(OC(F)(F)F)c2)c1 1614824949 ILUQQZZKEITCIQ-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE C=CCC1(NCc2ccc(C(F)(F)F)c(C)c2)CCCC1 1621006224 CAAOSHBBWDIETI-UHFFFAOYSA-N 297.364 4.992 30 10 CJEE C#C[C@H](NCc1ccc(-c2ccc(Cl)cc2)cc1)C(C)C 1621318517 HYZADJXJDVCCEW-IBGZPJMESA-N 297.829 4.754 30 10 CJEE C=CCCCCCCNCc1cc2c(Cl)nccc2o1 1621322414 ATXJBKGRNYMNBK-UHFFFAOYSA-N 292.810 4.707 30 10 CJEE C#Cc1ccc(NC2CCC(CSC)CC2)c(Cl)c1 1621547788 JSPVXPZIZWDYOU-UHFFFAOYSA-N 293.863 4.655 30 10 CJEE C=CCCCCCN(C)c1ncnc2c1oc1ccccc12 1642302762 ZUIAKIWDULVNKR-UHFFFAOYSA-N 295.386 4.559 30 10 CJEE Cc1cc(C)c2nc(NCC(C)(C)CCC#N)sc2c1 1642753642 ANKPLMLTMMQHEG-UHFFFAOYSA-N 287.432 4.655 30 10 CJEE C#CCCCCCCSCCSC(C)(C)C 1643879834 FFQDMRCBERGXON-UHFFFAOYSA-N 258.496 4.835 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 1653097940 ROVZAXGHWOBTTC-CABCVRRESA-N 290.407 4.770 30 10 CJEE C=C[C@H]1CCCCN1Cc1c(CC)ccc2ccccc12 1658480963 WMIWPVIEDQNDNV-SFHVURJKSA-N 279.427 4.943 30 10 CJEE CCCCCCCCCN1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 1658710090 BTHCLOGTSKUCSD-INDMIFKZSA-N 275.480 4.881 30 10 CJEE C=CCC[C@H](CCC)NCc1cc(C2CC2)ccc1F 1659296606 MDAKYYYYDCXSIJ-KRWDZBQOSA-N 275.411 4.928 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C 1661118571 DFTFUUQULXHRGO-ZBFHGGJFSA-N 286.419 4.505 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1C 1664509893 SNXGBPATVHRDHB-HNNXBMFYSA-N 283.337 4.554 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccccc1C(C)C 1672411962 FDFQDJYQELDNRN-UHFFFAOYSA-N 288.435 4.924 30 10 CJEE C(=Nc1nc2ccccc2s1)c1c[nH]c2ccccc12 1772743307 DHXXSICKRIREKU-UHFFFAOYSA-N 277.352 4.528 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(C)cc1C 1874577988 PHUAYNHDAVVEQN-ZRDIBKRKSA-N 292.378 4.764 30 10 CJEE CC#CCCC[C@@H](C[C@@H]1CCC12CCC2)NCCC 1879642119 VZLCQFKXLUANAU-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C=C1CCC(C=C2CCNC3(CCCCC3)C2)CC1 1880663054 RCEKXPCNCHSQSY-UHFFFAOYSA-N 259.437 4.746 30 10 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281.903 4.733 30 10 CJEE CCCCCCCC1(C#N)C[C@@H]2CC[C@H](C1)S2 1942144576 VZAYMYAWJGNELU-YIONKMFJSA-N 251.439 4.915 30 10 CJEE C=C(C)CCc1cc(Cl)c(C)c(Br)c1 1956479573 CJKWSZFXFSQZBB-UHFFFAOYSA-N 273.601 4.920 30 10 CJEE CC1(C)CCC[C@H](COc2cc(Cl)cc(C#N)c2)C1 1969519310 XAVMFTAMLHIFEN-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE Cc1ccc(C#N)cc1OCc1cc2ccccc2s1 1969732735 OGWQBKXSJUWSLB-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE CC(C)(C#N)CCCCN(CCC(F)(F)F)C1CCC1 1971564657 WSKHVSVXTVJMRP-UHFFFAOYSA-N 290.373 4.513 30 10 CJEE C=CCCCC[C@H](N)c1cc(Cl)sc1Cl 1975331915 AHLJTHHBSGVWDY-VIFPVBQESA-N 264.221 4.801 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc(Br)co1 1995173181 KLUHUTSGBUCNSG-GFCCVEGCSA-N 287.197 4.602 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1sccc1C 1996470841 PGFHFUVVILKBMI-TZMCWYRMSA-N 251.439 4.700 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1snc(Cl)c1Cl 2002134788 YGXOMYSLTMQRRP-LBPRGKRZSA-N 289.231 4.712 30 10 CJEE C=CC[C@@H](C)C[C@@H](NCC)c1ccccc1Cl 2003673296 XQJMAGPBFVLZCY-IUODEOHRSA-N 251.801 4.593 30 10 CJEE 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CCCCCCCCC[C@H](C)N1CCN[C@H](C)C[C@@H]1C 2295513693 AHUCXWQADVASDU-SQNIBIBYSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nsc(CCC)n1 2295601393 OLYARCJQIAKCKS-INIZCTEOSA-N 297.512 4.805 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1csc(Cl)c1 2301746464 QGYPAMMUPJYKCP-JTQLQIEISA-N 261.777 4.556 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1[C@@H](C)C1(F)F 2312118149 VCMSHSOJEQFLME-MCIONIFRSA-N 259.384 4.522 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC(C)(C)[C@H]1N 2313523622 BXUYKGXMYPHGRX-GJZGRUSLSA-N 267.482 4.537 30 10 CJEE C=CCC(CC=C)SC[C@@H](O)c1ccccc1Cl 2313524631 NIAHTDSMPMTELL-OAHLLOKOSA-N 282.836 4.627 30 10 CJEE C=CCC(CC=C)N[C@H](CC)c1cccc(Cl)c1 2313650409 FSMIMZYBWKVZNG-MRXNPFEDSA-N 263.812 4.902 30 10 CJEE Cc1c(CC(=O)C2=CCCCC2)ccc(Cl)c1Cl 2316681423 SNIHKAUGEJYULW-UHFFFAOYSA-N 283.198 4.914 30 10 CJEE C=C(C)C[C@H](C[C@H](C)C1CCCCC1)NCCC 2319293158 MYZTULNYRMQWNW-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(CC)CC1)NCCC 2321103016 WCSWYVKMILYINJ-CVEARBPZSA-N 251.458 4.927 30 10 CJEE 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N#C[C@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C[C@H]2CC[C@H]1C2 2339242076 CUHZILKSIAOJBL-BQULAQKPSA-N 255.405 4.699 30 10 CJEE CC1(C)C[C@H]1C#C[C@H](N)c1cc(-c2cccs2)cs1 2339623958 YWEFFFUUENSELU-OLZOCXBDSA-N 287.453 4.526 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@H](C)[C@@H](C)N1 2341809481 RFDXYLMUDMHTNF-BBWFWOEESA-N 269.473 4.530 30 10 CJEE SCCCCCCOCc1cccc(C2CCC2)c1 2343808377 GVEDVIGHRILTDP-UHFFFAOYSA-N 278.461 4.961 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CC(F)(F)C1)NCCC 2344337671 SMKCMXQTXBQFMV-CYBMUJFWSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1sc(C)nc1C 2344337937 VQPYVLKEVQAOTE-JKSUJKDBSA-N 280.481 4.793 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(CCC)c1 2344345294 MJVCAXLDMRWWOW-YJBOKZPZSA-N 259.437 4.892 30 10 CJEE CCCCCCC[C@](C)(N)c1cncc(C(F)F)c1 2353557475 PBHVECVHQCVBIS-HNNXBMFYSA-N 270.367 4.554 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@@H](C)c1ccccc1Cl 2353836687 VBQJHQOFPNCQDG-KBPBESRZSA-N 299.911 4.925 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358321771 DXFJADQGJVAGSH-FPCVCCKLSA-N 286.406 4.945 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2359314375 QTQZARGKDLNJND-FCGDIQPGSA-N 275.480 4.765 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cc(F)cc(F)c1 2360326117 DDQYIIBCAXYBPF-MLGOLLRUSA-N 299.430 4.703 30 10 CJEE CCCCCCCC[C@H](C)C[C@@H](C)C(=O)NCC 3033014 JQVPIQYJMCCSHY-LSDHHAIUSA-N 255.446 4.535 30 10 CJEE CCc1cc(Oc2ccccc2C#N)ccc1Cl 37023838 ZXOFQGNMBIZMOA-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCC(C#N)(CCC)c1ccc(OC(F)F)cc1 37934398 LCHDRJYOBLXUTJ-UHFFFAOYSA-N 267.319 4.650 30 10 CJEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2nccs2)C1 40676878 ZBXMKDOXKQGNDL-GRYCIOLGSA-N 280.462 4.590 30 10 CJEE CCCC[C@@H](CC)COCCCC[C@](C)(C#N)NCCC 45324514 PPRSTTUUKHPOHS-QZTJIDSGSA-N 296.499 4.672 30 10 CJEE Cc1ccc(SCCCC[C@@](C)(C#N)NC(C)C)cc1 45363451 MKEVXAYKSAKTGS-KRWDZBQOSA-N 290.476 4.538 30 10 CJEE Cc1cc(CNc2ccc(C#N)c(Cl)c2)c(C)s1 49685569 SCEDLSNJZJPLMX-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE Cc1nn([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1Cl 50586669 OJIDOHPSAGPTSM-MGPQQGTHSA-N 293.842 4.680 30 10 CJEE C=C[C@H](C)Oc1c([C@@H](C)NC(C)C)ccc2ccccc12 52141575 CIKVOMHLMHYBTE-LSDHHAIUSA-N 283.415 4.852 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1cccc(Cl)c1 57685942 GSJWALNLQQJULK-INIZCTEOSA-N 299.801 4.979 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)Cc1c(C)cc(C)cc1C 57760818 KNLMWWWKYNURSE-KRWDZBQOSA-N 293.410 4.779 30 10 CJEE C=C(Cl)CSc1ccc([C@@H](C)NCCC)cc1 79582774 UWVGQSGDCACUHX-GFCCVEGCSA-N 269.841 4.592 30 10 CJEE CC(C)(C)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 83729516 UCPMGHCHPMLYRW-AWEZNQCLSA-N 290.838 4.864 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCC[C@H](C(C)C)CC1 86946078 GOGCPRAEZJEGDC-IRXDYDNUSA-N 270.420 4.884 30 10 CJEE CCC[C@H](CS)COc1cc(Cl)cc(Cl)c1 87080670 WTXGYTZDYYNJBH-VIFPVBQESA-N 279.232 4.718 30 10 CJEE C=C(C)[C@H](NCCC)C1CCC(C(C)(C)C)CC1 92116906 ONVBUPROHJKAIO-GPANFISMSA-N 251.458 4.783 30 10 CJEE C/C=C/c1ccccc1OC[C@H](CS)c1ccccc1 94583901 GYMREEGEGJXIKU-HVEWAWRISA-N 284.424 4.812 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(CC(C)C)cc2)C1 94904985 VOUYONCTCRUCPL-LZQZEXGQSA-N 285.431 4.639 30 10 CJEE CC#CCC[C@@H](Cc1cccc2ccccc12)NCCC 97417235 GKSVHOQFTRYPGF-IBGZPJMESA-N 279.427 4.554 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(OC)c(Cl)c1 107535814 SUNUJCUYNWWQNQ-RYUDHWBXSA-N 250.769 4.502 30 10 CJEE C=CCOc1ccccc1CNC1CCC(CCC)CC1 109933228 VJEDSJMKVVCQJT-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE CCCCCCCCO[C@H](CNCC)c1ccccc1F 110070165 NMGFUDPRPUMJEC-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(OCC)c1 110462765 ROPMOOILMPEAQY-QGZVFWFLSA-N 263.425 4.706 30 10 CJEE CCCCCCCC[C@H]1CCc2ccccc2[C@@H]1N 111726693 KVTGMTJOJOBFKS-FUHWJXTLSA-N 259.437 4.999 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(Br)c1 112889754 XCFMUJDIBIFSBQ-CQSZACIVSA-N 284.241 4.809 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccsc1 115063764 AWAVVEUVXHPPCB-HNNXBMFYSA-N 253.455 4.759 30 10 CJEE CCCCCCCCCCn1cccc1C[C@H](C)N 117596757 QNNXEFNHEUBRTP-INIZCTEOSA-N 264.457 4.519 30 10 CJEE CCCCCCCCC1(c2ccc(C)cc2)CNC1 118885532 BGYMTJNDLLZESV-UHFFFAOYSA-N 259.437 4.587 30 10 CJEE CCCCCCCC[C@@]1(O)CSCCC1(C)C 124822000 NHNYXAWUFNZLGP-OAHLLOKOSA-N 258.471 4.631 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)c(F)c1 125604662 FMWQGPCEOQDVEE-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)CC1 126304890 HNICVTMKWOCPPX-XJKSGUPXSA-N 274.383 4.858 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCc2ccccc21 126871430 QDCQKXZYTZLFAG-OALUTQOASA-N 288.479 4.689 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccccc2C2CC2)c1 127713592 QCNKVURDTLKKAE-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 131314406 DASGBFIDKONAER-RDBSUJKOSA-N 252.398 4.506 30 10 CJEE CCCCCCCCCC[C@H](N)CCc1cccnc1 143469030 JZPRJOWFSQXKIP-SFHVURJKSA-N 276.468 4.872 30 10 CJEE CCCCCCCN1C[C@@H](CCC)NCc2ccccc21 149275541 MVLVLHJVRSIEGM-GOSISDBHSA-N 288.479 4.735 30 10 CJEE C=CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 156143228 VVXDMPFYLRVQKS-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(F)cc(F)c1 160866997 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C=C(C)CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC 229779809 CGINIZVGXUVNOE-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 230765606 CYHHXLQHHDAIKU-RDJZCZTQSA-N 256.393 4.575 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H](OCC)C1(C)C 232950870 OXFDCPMNIQQYNW-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@@H](CSc1ccccc1C)NC 234425145 IAKZMHIYUDSGIW-INIZCTEOSA-N 277.477 4.812 30 10 CJEE N#C[C@@H]1CCCC[C@H]1SCc1ccccc1Cl 236041318 QDVLDNLSMQCEOE-SMDDNHRTSA-N 265.809 4.656 30 10 CJEE C=CCCCCC[C@@H](O)[C@H]1CCCc2sccc21 236549036 DMYCPSKCCDCOAM-DZGCQCFKSA-N 264.434 4.665 30 10 CJEE Cc1ccc(-c2cc(Br)c(C#N)s2)c(C)c1 259217476 OHCUQGRCAYRHRE-UHFFFAOYSA-N 292.201 4.666 30 10 CJEE N#Cc1ccc(N[C@H]2CCc3sc(Cl)cc32)cc1F 307922080 GKYSSLLYSYCKBI-LBPRGKRZSA-N 292.766 4.512 30 10 CJEE CC(C)(CNc1cccc(Cl)c1C#N)C1=CCCC1 309727410 QHVVCEOEYLBDSB-UHFFFAOYSA-N 274.795 4.760 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](n2ccc3c(C#N)cccc32)C1 311268050 QTUMKHDDQPLZDM-NHAGDIPZSA-N 252.361 4.510 30 10 CJEE C=C([C@@H](NCCC)c1ccc(F)c(Cl)c1)C(F)(F)F 311541006 TXZAFXJJTQDEPM-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC(F)(F)c2ccccc2)C1 316704479 BNEWPOVJPOQWCA-DZGCQCFKSA-N 266.331 4.564 30 10 CJEE CCCCOCCC1(C=O)CCC(C(C)(C)C)CC1 317350682 SYKLSCCRTYAOAH-UHFFFAOYSA-N 268.441 4.615 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CCOc3ccccc32)C1 380049097 BUSQUGLHYXBFET-RKVPGOIHSA-N 269.388 4.663 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)CCCN 382229459 UKBMISBYLASQFQ-QGZVFWFLSA-N 271.489 4.787 30 10 CJEE CCCCCCCC[C@@H](NCC)C(C)(C)SC 382998156 AITKFMNRAXRDCJ-CQSZACIVSA-N 259.503 4.857 30 10 CJEE N#C[C@]1(CCC2=CCCCC2)CCc2ccccc2C1 385064502 VCISKOUKUDQXIQ-LJQANCHMSA-N 265.400 4.966 30 10 CJEE C=CC(C)(C)CN[C@H]1CCSc2ccc(Cl)cc21 385253635 XJZGERVSHZEJQO-ZDUSSCGKSA-N 281.852 4.679 30 10 CJEE Cc1cc([C@H](C)/N=C2/N[C@@H](C(C)(C)C)CS2)c(C)s1 394007514 LAAQUJUXZHBXQS-GXFFZTMASA-N 296.505 4.533 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 399157458 JLRBSKUIKDENIP-CABZTGNLSA-N 298.213 4.852 30 10 CJEE CC[C@@H](CC#N)Nc1cc(Cl)c(Cl)c(Cl)c1 404345556 VYIXDFRYXKUVNA-ZETCQYMHSA-N 277.582 4.751 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc2ccccc2[nH]1 410350816 FPMMCVLDRWNIKS-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)C1 410393836 RPXXVXXRDQZUAL-ZBFHGGJFSA-N 271.404 4.570 30 10 CJEE C=CCC1(C(=O)N2Cc3ccccc3[C@H]2C)CCCCC1 450020914 UZKMNIALWPLRNR-OAHLLOKOSA-N 283.415 4.616 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 651667524 GIZVLLKQRWNUIR-IMFGXOCKSA-N 292.426 4.505 30 10 CJEE CC(C)(C)[C@@H](CS)CN1CCC[C@H]1C1CCCCC1 688814352 QFDMTIFPHNPLSS-CVEARBPZSA-N 283.525 4.623 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 692315686 WAWXHMDILAIQGD-ONGXEEELSA-N 288.193 4.585 30 10 CJEE CC(C)(C)C[C@H]1CN/C(=N/CCCC2CCCCC2)S1 694074746 DTROSIGPFVTSLZ-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE C=C(C)CC[C@H](NC)c1cc2cscc2s1 694384966 OWCHPAACMRROLU-NSHDSACASA-N 251.420 4.580 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1cccc(F)c1Cl 695697751 USIBSSVMINWZTH-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCC[C@H](N)c1c(Cl)cnn1C 696423650 MOKYJCVQYMDLGI-AWEZNQCLSA-N 285.863 4.604 30 10 CJEE C=CCCCNc1ccc(OC(F)(F)F)cc1Cl 699694330 ZNONLJWNBBKBGH-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE C=CC(C)(C)CCNc1nc(Cl)nc2sc(C)cc12 701881163 LLEWITGGUDBFER-UHFFFAOYSA-N 295.839 4.667 30 10 CJEE Cc1c(Cl)cccc1Oc1cccc(Cl)c1C#N 702669453 GRKLRFVMVCPHRW-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](C)NCc1cncc(Cl)c1 703005456 IETBLPKSRSLWGI-ZDUSSCGKSA-N 268.832 4.574 30 10 CJEE C=C(Cl)CC[C@@H](CNCC(C)C)c1ccccc1 710622170 NXSJSEAFCOPKEX-INIZCTEOSA-N 265.828 4.549 30 10 CJEE C=C(Cl)CCc1cc(Cl)ccc1Br 710676687 GJOKDWDMHLGZQD-UHFFFAOYSA-N 279.992 4.788 30 10 CJEE CCCCCCC[C@@]1(C)C(=O)CCN1Cc1ccccc1 712013076 PSAFMOBWSTZKAA-IBGZPJMESA-N 287.447 4.581 30 10 CJEE CC[C@@](C)(/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713209052 RZIQUROKZHFHHN-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1c(Cl)cccc1C(F)(F)F 715717257 BWNQKGZAHUSEPJ-RNCFNFMXSA-N 291.744 4.832 30 10 CJEE CCCCCCCC/N=C1/N[C@H](CCC)CCS1 716818777 BGKKNPVXMXBEGZ-CQSZACIVSA-N 270.486 4.598 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cscc1C(F)(F)F 717177759 LLDCQJQBVQMGTK-NSHDSACASA-N 297.773 4.950 30 10 CJEE C=CC[C@H](CC)NCc1ccc(C)c(Br)c1C 719565754 PKPJJURIACILSQ-AWEZNQCLSA-N 296.252 4.510 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(Cl)cn2)CC1 724546123 WFEWARMQNGJWQF-MRXNPFEDSA-N 278.827 4.522 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2CN)CC1 724617957 PRBPNJLXSODXAG-RCCFBDPRSA-N 263.469 4.770 30 10 CJEE C=C1CCC(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 1125510904 AYIYVLNTJQSXON-MRXNPFEDSA-N 299.458 4.605 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 1127523417 QIBOVHFMXWAFLH-YTQUADARSA-N 299.458 4.506 30 10 CJEE C=CCCCCSc1ccc(C(F)(F)F)cn1 1165257245 HPURNNZZWPEWOK-UHFFFAOYSA-N 261.312 4.549 30 10 CJEE C[C@@H](CCC#N)N[C@@H](C)c1ccc(Cl)c2ccccc12 1169604165 IBDJRCRAKRIFLT-STQMWFEESA-N 286.806 4.836 30 10 CJEE C=CCCCCCCCNCc1ccc2c(c1)C[C@H](C)O2 1178859659 DHNBGCWTLHWMQG-INIZCTEOSA-N 287.447 4.626 30 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FIQXXKMDCFUKQR-QWRGUYRKSA-N 299.245 4.972 30 10 CJEE C=CCCCC[C@H](C)NCC1CC(c2ccccc2)C1 1308720685 XPRHLPITUNLLQE-MUYFXNHWSA-N 271.448 4.905 30 10 CJEE C#CCCCCCCN[C@@H]1CCc2cc(Cl)ccc21 1308896948 WAZVAUCXKAFVDM-QGZVFWFLSA-N 275.823 4.501 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)CCc2ccccc2)CCCCC1 1348481998 REWGRERRMOONFP-KRWDZBQOSA-N 299.458 4.651 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1CCCCC1(F)F 1462277653 KFMIJDWMOYLHJS-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CC)CC(C)(C)C)c1 1467477809 LXJQZLVNAQEFGO-UHFFFAOYSA-N 274.408 4.620 30 10 CJEE C#Cc1ccc(CN(Cc2ccccc2)CC(C)(C)C)cc1 1474335191 LSDBEMZSMILJSY-UHFFFAOYSA-N 291.438 4.716 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CCC[C@@H](C)[C@H]1C 1474477458 MLPUBBLXHMSGGW-NCOADZHNSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc2ccn(CCC)c2c1 1476198553 MICGOUZRDUITJB-OAHLLOKOSA-N 299.418 4.528 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1525070621 WUCOGRXBZVLYHC-JENIJYKNSA-N 299.458 4.664 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCC1(c2cccc(C)c2)CCCC1 1529210756 OKRVPHHAIYPBEL-IBGZPJMESA-N 299.458 4.525 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/C1CCCCCC1 1538890692 VUFYGWURBPRCMC-NVGHFZOBSA-N 289.463 4.764 30 10 CJEE C=C(CC(C)C)C(=O)N(CC(C)C)c1ccc(C)cc1 1557079962 NQWXVFIIDYUVEG-UHFFFAOYSA-N 273.420 4.586 30 10 CJEE C#CCN(CCCC1CCCC1)[C@@H]1CCCc2ccccc21 1560171731 CZIKXBPRJRMZGL-OAQYLSRUSA-N 295.470 4.970 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)CCc1c[nH]c2ccccc12 1560852584 JUTMFOCOQAROPW-HNNXBMFYSA-N 284.447 4.681 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCC=CCCC2)CCCCC1 1586174706 QDGJMEAGLUFDTD-QGZVFWFLSA-N 289.463 4.766 30 10 CJEE CCCCCCCN(Cc1ccccc1)C[C@H]1CCCO1 1615272955 VBUPTFDVSYGQQE-LJQANCHMSA-N 289.463 4.638 30 10 CJEE C#CCCCCCCN(CCC)Cc1ccc(F)cc1 1615314130 VHTZLCYPLGNBCO-UHFFFAOYSA-N 275.411 4.621 30 10 CJEE C=CCCN(C)Cc1cc2cc(Cl)ccc2nc1Cl 1617258486 BCPPQHRZLZXYGV-UHFFFAOYSA-N 295.213 4.550 30 10 CJEE C=CCCCCCCNC/C=C/c1ccc(F)cc1F 1620931915 PTGVIJFBGAICCY-CMDGGOBGSA-N 279.374 4.704 30 10 CJEE C=C(C)CN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C 1648050468 VTYDFIDFCQMCJX-HNNXBMFYSA-N 297.364 4.849 30 10 CJEE C=C(CC)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 1653092663 LUOOCCWTHNVSOY-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE C=CCC1(NCc2cc(Cl)cc(F)c2O)CCCCC1 1657963068 ZGHQKYBBFBHESD-UHFFFAOYSA-N 297.801 4.553 30 10 CJEE C=CC(C)(C)CN[C@H]1CC=C(c2ccc(F)cc2)CC1 1659232354 WXNGOZCVCQHWLG-KRWDZBQOSA-N 273.395 4.563 30 10 CJEE C=CCCCCNCCCc1c(Cl)cccc1Cl 1664380479 ZYOCBJQDYXXAEY-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE C=CC(C)(C)CCCNCc1cc2c(Cl)nccc2o1 1665596027 XMFYWDXNHNHRRD-UHFFFAOYSA-N 292.810 4.563 30 10 CJEE C=CCCCCCCNC(=O)NC1(C)CCC(C)(C)CC1 1682403841 SOSNOBVAOLBTKZ-UHFFFAOYSA-N 294.483 4.781 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]1CCCCC 1684446552 KFPRXAGERIZZMX-INIZCTEOSA-N 294.483 4.733 30 10 CJEE CCCCCCCOc1cccc(NC(=O)CCC)c1 1860088959 RBHMVMBTAFUKEL-UHFFFAOYSA-N 277.408 4.774 30 10 CJEE CC#CCCC[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 1879648137 UBZSAHCVTHPXEO-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE 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C=CCCCCCCC[C@H](NC)[C@H]1CCC(F)(F)C1 2227275010 XLAOHUQJEFFHTC-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccc(CC)s1 2227289345 ZSTAYIBXAXPWAH-HNNXBMFYSA-N 280.481 4.732 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(CC)CCCCO1 2227289901 XMFIHPJMNDAZOE-KRWDZBQOSA-N 266.425 4.822 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccnc(C(C)C)c1 2228157612 ALTJQEKGIBSORW-GOEBONIOSA-N 258.409 4.752 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@]1(C)CC=C(C)CC1 2229039811 BZHIVMFHUIIHFI-FUHWJXTLSA-N 261.453 4.541 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H]1CCCC(F)(F)C1 2231483531 MCHIARITAYRLOF-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE N#CC1(Cc2ccc(C3CCC3)cc2)CCSCC1 2231689372 HUWJWQLESSRXAA-UHFFFAOYSA-N 271.429 4.534 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@](C)(C(C)(C)C)O1 2231853879 CRILFOWNLBYREA-SJORKVTESA-N 269.473 4.878 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC1(CC)CC1 2231925574 NUTUYPGJAJJPOJ-INIZCTEOSA-N 268.441 4.637 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)C(C)(C)C 2231926540 VUTBQLHUGZHTEX-RDJZCZTQSA-N 271.489 4.512 30 10 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297.508 4.819 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H](C)c2ccc(C)cc2)CC1 2240808486 QZLRNDFQVWTAMU-APWZRJJASA-N 271.448 4.823 30 10 CJEE CCC(F)(F)CCS[C@H]1CCCCC[C@@H]1C#N 2248274305 GQNCHODWVGYCMW-NEPJUHHUSA-N 261.381 4.627 30 10 CJEE C=CCCCSc1ccc([C@H](C)NC)cc1Cl 2250060747 JBJXHAPBGGZFRW-NSHDSACASA-N 269.841 4.679 30 10 CJEE CC1(CSC[C@H](C#N)C2CCCCC2)CCC1 2251705394 QJWGQZCQAJSPAP-AWEZNQCLSA-N 251.439 4.630 30 10 CJEE COc1cccc(SCCCCCCCS)c1 2252646845 JMBAZVZEDNBQGZ-UHFFFAOYSA-N 270.463 4.668 30 10 CJEE N#Cc1cccc(F)c1Oc1cc(Cl)cc(Cl)c1 2254496433 MTGNCRNWYYOZGN-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE O=C(C[C@H]1CCC[C@@H]1C(F)F)C1=CCCCCC1 2257840370 QRHNMQUGPZTJCX-OLZOCXBDSA-N 256.336 4.518 30 10 CJEE CCCCCCC[C@@]1(F)[C@H]2CCC[C@@H]1C[C@H](N)C2 2258022662 BJYYLOWSRABBPR-PLAPLOCASA-N 255.421 4.593 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCC 2259194744 XAOURJBYDZAZLW-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@@H](C)S1 2259195232 QMHFFFGZDRZMMO-PMPSAXMXSA-N 269.498 4.775 30 10 CJEE C=C(C)CCCC[C@@H](CC1CC(C)(C)C1)NCC 2259195927 ASRKYLIHEOLNLX-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCC 2259213245 UGGSPYVYMLVCAR-CABCVRRESA-N 273.401 4.502 30 10 CJEE C#CCCN(CC[C@H](C)CCCC(C)C)C(C)C 2259649815 WLLZYRAKOYSVLL-QGZVFWFLSA-N 251.458 4.573 30 10 CJEE Cc1cc(C)c(CN(C)CCCCCCCS)s1 2263204944 BSZZKIRQJIRUMX-UHFFFAOYSA-N 285.522 4.677 30 10 CJEE C=C[C@@H](C)C[C@H](CC1CC2(CCCC2)C1)NCCC 2265262509 IDMYHHINZSOTLV-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE Fc1cc(F)cc(SC[C@@H](CS)c2ccccc2)c1 2266691794 LNJZDZIUWGNDLX-GFCCVEGCSA-N 296.407 4.771 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC1CCC1 2268736601 CACQHAOMPKVEHJ-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE C=CCCCCCCCCCN1CC(P(C)(C)=O)C1 2270678166 XUQVFVXABRVKHW-UHFFFAOYSA-N 285.412 4.600 30 10 CJEE C=CCCS[C@@H]1CC2(CCCCC2)CC[C@@H]1NCC 2271584596 HQKSLBOIXXQCJF-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCC(F)(F)C1 2271749606 FPVZEKGKFKHTOW-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCCNC[C@H]1CCC[C@@]2(C1)CC2(F)F 2271799252 SMZDJMHLVLKCFU-LSDHHAIUSA-N 271.395 4.538 30 10 CJEE C=C(C)CCCCN(C)C[C@H]1CCCCCC1(F)F 2271840521 CQTMGACMSQMZPR-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE C=CCCCCC[C@H](NCC)C1CC2(CC(F)C2)C1 2272131145 GPBILQVNGKABSO-PYCMUAIMSA-N 267.432 4.629 30 10 CJEE C=CC1(C[C@H](NCC)[C@]23CCCC[C@@H]2CC3)CCC1 2273327464 MTDHAWPYEHZKEH-RYRKJORJSA-N 261.453 4.681 30 10 CJEE CC1(C)CC(C)(C)CC(N)(C#CC2CCCCC2)C1 2274003224 WSRMFDNTBJRUDE-UHFFFAOYSA-N 261.453 4.504 30 10 CJEE CCCCCC#CC[C@@H](O)C1CC(CC(C)(C)C)C1 2274198778 VQNCKGPSILNSDT-OFLPRAFFSA-N 264.453 4.784 30 10 CJEE CC=C(C)[C@@](C)(CCCCCCCC)OCC(=O)O 2275049180 KJVKZCUWSMHEAT-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@](C)(CC1CC1)OCCN 2276654838 XBMJDMRKAKAVNY-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE O=C(CC#Cc1ccccc1Cl)CC1CCCCC1 2277848210 HYGLAXXIHMDYTJ-UHFFFAOYSA-N 274.791 4.621 30 10 CJEE CCCCCCCCC[C@](C)(N)CC[C@H]1CCCO1 2278175922 MDGAFGSFOHKQQJ-SJORKVTESA-N 269.473 4.804 30 10 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KKNWHFKWHXZMOH-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(CC)CCC1)NCC 2321143442 ATZKBMFAZIZWFI-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H]1CCC[C@@H]1C(F)(F)F 2321147925 LEPWRTLQXLLXTN-MNOVXSKESA-N 262.315 4.527 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(C(F)F)c1 2321227522 FJYOSTODLWZHGH-ZFWWWQNUSA-N 254.320 4.650 30 10 CJEE CC(C)(C)[C@@H]1C[C@@H]1COC[C@](C)(CS)C(C)(C)C 2327106983 RSKYWZDQMKBSQP-XJKCOSOUSA-N 272.498 4.667 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1C[C@@H](C(F)(F)F)C1 2327731267 LMMIJGOLLFTUEZ-LOWVWBTDSA-N 262.315 4.527 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1[C@@H](C)C1(F)F 2333365567 PIECNVQRPJZJCI-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCSC[C@H]1C[C@@H]2CCC[C@@H]2N1 2334912162 LHLRMFCVDMKORP-BBWFWOEESA-N 281.509 4.777 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)C1(C)CCCC1 2335187443 JAQPKSKGDWANQQ-INIZCTEOSA-N 281.509 4.799 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](CC)NC)cc1 2335231374 HRLUSIPHZSSYQL-KRWDZBQOSA-N 275.461 4.970 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@H]1CN 2335231789 LHSDRGHYYZZSQI-YQQAZPJKSA-N 281.509 4.784 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C[C@@H]2CCC2(F)F)CC1 2335423906 LENAXIXFNZGONW-OLZOCXBDSA-N 270.363 4.764 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccccc1CC 2338731589 BRTNIPWCBIWTTA-GOSISDBHSA-N 257.421 4.668 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ccsc1OC 2338747546 QWWPQXGQDYXPJX-OAHLLOKOSA-N 279.449 4.566 30 10 CJEE CCCCCCCC(=O)c1c(F)cccc1OCC 2341600360 WDFGJWUZAAQTLW-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(C(C)(C)C)cc1 2344338951 FDSLKCZDBUWVDC-INIZCTEOSA-N 259.437 4.847 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CCC2(CC1)CC2)NC 2344372144 PPECPAVMBFKCPQ-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@H]1CC12CCCCC2 2352166012 LWSKXAQGAJNGKZ-ZBFHGGJFSA-N 284.509 4.956 30 10 CJEE C=CCN(CCC)CC1CCC(CC(F)(F)F)CC1 2353188006 CVYBJZXCMAKNNT-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE CSc1cc(OCC2CCCCCC2)ccc1C#N 2353826108 TYKHBNGIZPOHJG-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE CCCCCCC[C@@](C)(CCC[C@@H]1C[C@@H]1C)OCCN 2360150868 KDJRLEBFDHRELN-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(F)cc1F 2360203851 APSMABIUQPKBKJ-LRDDRELGSA-N 299.430 4.703 30 10 CJEE C=C(C)CCCC[C@](C)(CCCC(C)C)OCC(=O)O 2360242457 WQLPXYPVTFSDRI-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCSc1nc(C2CC2)cc(-c2cccs2)c1C#N 67477 OMHFUXPHDVYTJO-UHFFFAOYSA-N 286.425 4.671 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(CCC)cc2)c1 21009317 XGIVDIAMIAUGAM-OAHLLOKOSA-N 263.384 4.794 30 10 CJEE CC(C)[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1 37302005 KDPFMKBDIAPNNX-GOSISDBHSA-N 264.372 4.562 30 10 CJEE Cc1ccccc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306420 VACHDBZEJGEYAS-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE Cc1cccc(N[C@H](C#N)c2c(Cl)cccc2Cl)c1 37936841 FREYPFKRZWHXNQ-CQSZACIVSA-N 291.181 4.979 30 10 CJEE N#Cc1ccccc1Nc1ccnc2c(Cl)cccc12 39963784 KZDDXQJAXOYLSY-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE Cc1cccc(CNc2ccc(C(C)(C)C#N)cc2)c1C 43304904 XOXOBCDGYCGYKL-UHFFFAOYSA-N 278.399 4.717 30 10 CJEE N#Cc1ccc(C[C@H](C#N)c2cccc3ccccc23)cc1 57757772 IYXCBALKVFLORS-GOSISDBHSA-N 282.346 4.561 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)cc1[N+](=O)[O-] 59456406 XDCGRUXVPDFBMZ-ZDUSSCGKSA-N 294.395 4.764 30 10 CJEE C=C(C)COc1ccc(CN[C@@H](CC)c2ccccc2)cc1 66117011 LUASJIKZRFMUMI-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)C1 71125171 NVMZNQNNYROEDE-WFASDCNBSA-N 262.784 4.614 30 10 CJEE CC[C@H]1CCCC[C@]1(C#N)Nc1ccccc1Cl 71162384 MEWXSFNBHHZFGK-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE C=CCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 71276656 WAZGIGWQKNXDFO-CQSZACIVSA-N 286.246 4.870 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCCOc2ccccc2)C1 87972393 CFGZSZCSYOFWBK-AEFFLSMTSA-N 271.404 4.956 30 10 CJEE CCCN(c1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C 90448146 DVDSRFSJIYPTJD-UHFFFAOYSA-N 284.325 4.592 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Sc1ccc(Br)cc1 93955868 SMDIZAKXONHFPP-MFKMUULPSA-N 296.233 4.624 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CSc3ccccc32)C1=O 94320393 JAOYXSJQIFWCCC-ACJLOTCBSA-N 299.439 4.555 30 10 CJEE CC(C)(CS)CN(C1CCCCC1)C1CCCCC1 94578420 OEBAOLYMLBATMN-UHFFFAOYSA-N 283.525 4.910 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1cccc(F)c1 94578851 GHZPHJVVDFICOI-UHFFFAOYSA-N 297.483 4.774 30 10 CJEE Fc1ccc(SCC2(CS)CCCC2)cc1F 94588910 GJYSMYIPLZLMHT-UHFFFAOYSA-N 274.401 4.547 30 10 CJEE C[C@H](CCS)CCSc1ccc(C(F)(F)F)cn1 94589074 CVXCXAPITJLSAO-SECBINFHSA-N 295.395 4.539 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(Br)c(C)c1 107608960 IUODQIKLGRAOKJ-WCQYABFASA-N 279.221 4.911 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CCOC 109713264 QHSRMJXVXYLHRI-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCc1ccc([C@H](CC)Nc2cc(C#N)ccc2C)cc1 109945310 UCHBZHKPBNTTSP-SFHVURJKSA-N 278.399 4.992 30 10 CJEE Cc1ccc(Sc2ccc(C#N)cc2Cl)cc1 110353979 SJZQBQVGXOQCCE-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1ccccc1F 110917505 XUFRUYOHVBPQKY-INIZCTEOSA-N 279.443 4.954 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1nc(C)cs1 112978727 JNYKPTWMQDYGFF-GXTWGEPZSA-N 268.470 4.851 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(F)cc(F)c1 124607376 MONHDRWBENJYBS-MRXNPFEDSA-N 269.379 4.889 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2ccc(F)cc2C#N)cc1 126279493 ONDLOVGIPRFNQT-CYBMUJFWSA-N 282.362 4.994 30 10 CJEE CCCCCCCCCCNc1ccncc1[N+](=O)[O-] 129410492 QDKUWKNUDSCEKQ-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCCc2cccnc21 130233000 ULWAWSNCONYKEV-SJORKVTESA-N 275.436 4.613 30 10 CJEE CCCCCCCCCC(=O)c1cc(C)nnc1CC 135412843 YXMZHXQHWBLNSX-UHFFFAOYSA-N 276.424 4.671 30 10 CJEE CCCCCCCCCCNc1ncc(Cl)cc1N 148272251 INDZQSFPWXSPIV-UHFFFAOYSA-N 283.847 4.870 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCCCS1 158289559 WUIYOVWCWHXSRO-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE Cc1nc(CC2(C#N)CCCCCCC2)sc1C 158866954 VWOGVQOPCZOQMC-UHFFFAOYSA-N 262.422 4.557 30 10 CJEE CCCCCCCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 159142906 SKCCXUTYUXIEMZ-QGZVFWFLSA-N 292.423 4.996 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(C(C)(C)C)cc1 167755952 RXOIWTCFYBWFQT-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CC(C)Oc1cccc(C(=O)C2=CCCCCC2)c1 203381970 JKUYRMMCPCGOHM-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC[C@H](CC(C)C)C2)c1 230764506 LPRJBUBREDAMRQ-SJLPKXTDSA-N 255.405 4.685 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(F)c1 232492326 CTOBABLTEGWTCV-INIZCTEOSA-N 283.818 4.602 30 10 CJEE CCCCCCCCC[C@@H](O)C1(O)CCCCCC1 232942678 YZVCWKFPDVBHTI-MRXNPFEDSA-N 270.457 4.573 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1nccnc1C 232954026 AOBILPHXRIPVBW-HNNXBMFYSA-N 277.456 4.576 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC1CC1 235313398 ARPXPGNVMHZYFR-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCCCCC[C@@H](N)C1(c2ccccc2)CCC1 236314407 VTFZFNJJOMLOAH-QGZVFWFLSA-N 257.421 4.572 30 10 CJEE C=CCCCCC[C@@H](O)C1C2CC3CC(C2)CC1C3 236547457 JNRVJEBYMFEYQH-SVXFNXITSA-N 262.437 4.556 30 10 CJEE CC(CCc1ccc(O[C@H](C)c2ccccc2)cc1)=NO 252468103 BZUMPTLFFVTKHQ-OAHLLOKOSA-N 283.371 4.609 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 253047323 QSEJQMRCZGTLLO-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCOc1ccc(N=C/C=C\c2ccccc2)cc1 254492071 BIPJQHNMXIQBES-RNXRDECQSA-N 251.329 4.501 30 10 CJEE CC(C)(C#N)c1ccc2ccn(C3CCCC3)c2c1 260201584 YTIGXPCWIAJBLK-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE C[C@H](C1CCCCC1)[C@H](C#N)Nc1cccc(Cl)c1 311742393 SXUPPEHATWIBRJ-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCn1ccc(CN)c1CC 311886667 OCFBTKJGQNXZTG-UHFFFAOYSA-N 264.457 4.650 30 10 CJEE CCCCCCCCC[C@H](CNCC(C)C)OCC 316322612 DRISMAUNSAVULZ-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc(Cl)cc1Cl 317267725 PLTLJFJFMVJPFW-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=CCCCCC[C@]1(CNCCC)C[C@H]2CC[C@H]1C2 317682910 DMUTXEBSAVTWHG-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE CCCCCCCCC[C@H](CC1(C)CCC1)NN 381337372 JPRICNMZLAPPCN-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CCCCCCC[C@@H]1[C@H](C2CCC2)C(=O)N1[Si](C)(C)C 385381299 ZEIBNSPLEZRFMP-CVEARBPZSA-N 295.543 4.809 30 10 CJEE C=CC(C)(C)COCc1cc(CNCC(C)C)sc1C 387273984 XVQJLKVCOSYKBQ-UHFFFAOYSA-N 295.492 4.531 30 10 CJEE CCCCCCCC[C@H](CCC1CCOCC1)NC 389114084 LSOBTDSCYCIUFZ-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](O)CCOCc1ccccc1 395551130 ZJBKAEPISHRIDU-SFHVURJKSA-N 278.436 4.705 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@@H](C#N)C(C)(C)C 397496954 QZMNIHIITJQPSX-MRXNPFEDSA-N 266.473 4.566 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1ccns1 400656130 QZXUBWDECRJSIU-AWEZNQCLSA-N 283.485 4.568 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H](N)C12CCC2 405233246 RPAMNFHZHBGYIF-ZBFHGGJFSA-N 255.421 4.737 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(SCC)cc1 464435519 FBWFTOKYWFNGKZ-UONOGXRCSA-N 291.460 4.578 30 10 CJEE N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1 514261087 QAVBXSQOXIMHFG-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE C=CCC[C@H](N[C@@H]1CCOc2c(C)cccc21)c1ccco1 556889500 HXCUGMIZRQCGFN-SJORKVTESA-N 297.398 4.709 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@H](C)c2ccccc2C)no1 577323519 GIPTVHIWZZGGRP-ZIAGYGMSSA-N 270.376 4.600 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 686692583 FIWSWOINKQZKSK-IPMKNSEASA-N 277.496 4.868 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CC2CCC1CC2 691774887 VMVIAXHSFKDMDO-AJTLQJAISA-N 263.469 4.783 30 10 CJEE 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30 10 CJEE C=C(C)CCCC[C@@H](O)C1(C)CC2(CC(F)(F)C2)C1 2271790260 DKMYBMMHHGFDKW-CYBMUJFWSA-N 272.379 4.699 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](C)(CC)OCC 2271791992 QPQAWEWNXFOUEE-SJORKVTESA-N 269.473 4.696 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1sccc1F 2273975949 LHAZXCRSVTYCCP-HNNXBMFYSA-N 279.424 4.512 30 10 CJEE CCCCCC[C@@H](CC#CC1CCCC1)NCCC 2274122531 RBGPSGDHMLRNBG-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1C[C@@H]1C)OCCN 2276725501 BGRBAZGZBGPYNU-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)CC)OCCCN 2276736363 BVKAAMUCUXTWCR-INIZCTEOSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CC[C@@H](CC)C1 2276756133 PPDVJTABOYOHGA-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC[C@](C)(OCCN)C(F)F 2276815628 OBBXICKJFDJGJS-HNNXBMFYSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@@](C)(CC(C)C)OCCN 2277290144 LDFVNDJWGGNMIT-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=C1CCC(C[C@H](NC)C2(C)CC(C(F)(F)F)C2)CC1 2279200463 ZZMBWEPBRKNJRP-SLTAFYQDSA-N 289.385 4.690 30 10 CJEE 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4.630 30 10 CJEE C#CC[C@H](C)CN[C@H](C)c1ccc(Cl)c(C)c1Cl 2327871614 CZGFARVVSBBZNR-CMPLNLGQSA-N 284.230 4.612 30 10 CJEE C=C1CCC(C[C@@]2(N)C[C@H]3CCCC[C@@]3(C)C2)CC1 2328942621 ZGEKPGLXHZBEFW-FGTMMUONSA-N 261.453 4.811 30 10 CJEE CC(C)CON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2330324896 MNZHYOINSIOFAV-UHFFFAOYSA-N 273.420 4.771 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)[C@@H]1C[C@H]1N 2331387598 XGXDOWFWJSCCJZ-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1C[C@H]1c1ccccc1 2332782572 ZCEFAEAUBHNPPF-KURKYZTESA-N 259.437 4.868 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334660807 CRKDYYDFEPFBEX-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)NC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2335098412 JTNWZHYNBOEDQJ-IKGGRYGDSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC2(CC2)[C@@H]1NC 2335101351 TWGDFICBCQZREZ-HZPDHXFCSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC1CC(CC(C)(C)C)C1 2337159998 NILJXHZEOQWQRW-BHUNQDJPSA-N 263.469 4.783 30 10 CJEE CCCN[C@H](C#Cc1cccs1)[C@@H](CC)CC(C)C 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N#Cc1cc(Cl)ccc1Nc1ccc2ncccc2c1 54108701 XKUXECGUTOAEED-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2cccc(F)c2)cc1 57744038 LGPCLHFWOMJKLW-KRWDZBQOSA-N 267.347 4.799 30 10 CJEE Cc1ccsc1[C@@H](C)Nc1ccc(Cl)c(C#N)c1 70090641 VONLBOAMZSWINA-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 86097219 ZVCIBKCIARTHPL-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)CC1 86942427 CTXTXEUZOCGXPE-CVEARBPZSA-N 286.419 4.750 30 10 CJEE CCC[C@@H]1CCCN(CC(CC)(CC)CS)CC1 94581714 YGSZPHXHUVWIKT-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE Cc1ccc(OCC2(CS)CCC2)c(C(C)(C)C)c1 94583454 CQLLUYUSUZYYAM-UHFFFAOYSA-N 278.461 4.771 30 10 CJEE CSc1ccc(OCC2(CS)CCCCC2)cc1 94585205 NBZNBFCVDDMPNZ-UHFFFAOYSA-N 282.474 4.668 30 10 CJEE CC(C)CCN(CC1(C=O)CCCCCC1)C1CCCC1 94851958 FINGCIKSNLDMDX-UHFFFAOYSA-N 293.495 4.817 30 10 CJEE CN(c1cc(Cl)ccc1C#N)C1CCC(C)(C)CC1 94858978 MBYRIUSRMSKQIK-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@@H]1CCCc2sccc21 97284263 SEEHCLVHWWSHSB-UKRRQHHQSA-N 263.450 4.502 30 10 CJEE CCCCCCCCCCNCCc1ccc(OC)cc1 105837619 DOAXPSFMPIVBIT-UHFFFAOYSA-N 291.479 4.968 30 10 CJEE CC(C)CN(CC(C)C)c1ccc(C(F)(F)F)cc1C#N 110254728 ODOUZTQDPBWPMP-UHFFFAOYSA-N 298.352 4.695 30 10 CJEE CCCCCCCCCCNCc1ccccc1[N+](=O)[O-] 113013052 QJQHOQMPVMITRV-UHFFFAOYSA-N 292.423 4.825 30 10 CJEE CCCCCCCC[C@H](CO)Cc1cccc(C)c1 117327753 VXEOLNVGJXFNHE-SFHVURJKSA-N 262.437 4.897 30 10 CJEE CCCCCCC[C@H](Cc1cccc2ccccc12)NN 122284139 DVKPGWTWUMBUES-GOSISDBHSA-N 284.447 4.575 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccc(F)cn1 125737502 DQFWUSXVRFZPOL-OAHLLOKOSA-N 266.404 4.751 30 10 CJEE CCCCCCCCOCc1ccc([N+](=O)[O-])c(F)c1 128477072 RTFBXAQEBYXFIG-UHFFFAOYSA-N 283.343 4.611 30 10 CJEE CCCCCCCCCCNCc1cncn1C(C)C 129252416 ZAPGRXKVHJRFHE-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cccc(C(F)F)c1 131940994 ZIJILOGNEUZNDV-OAHLLOKOSA-N 272.298 4.609 30 10 CJEE CC#CCC[C@@H](NCC)C1CCC(C(C)(C)C)CC1 133347112 DVGVQIDIWSOBFM-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCSc1cccc(SC2CCCC2)c1C#N 136996520 UUHVQFUYAJGWID-UHFFFAOYSA-N 263.431 4.705 30 10 CJEE CCCCCCCCC[C@@H](N)c1csc(C)n1 139484076 REWQYRIEMZLPKV-CYBMUJFWSA-N 254.443 4.592 30 10 CJEE CCCCCCCCCC[C@H](N)CCOCCC 143430879 WROJUXPQIHQYEU-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H]1CCCNC1=O 143854182 YNGWCDYYBQFMFU-MRXNPFEDSA-N 267.457 4.824 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](OCC)c1ccccc1 158391972 QMWDOYXJVUZDDH-QZTJIDSGSA-N 278.436 4.876 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1Cl 188292233 UPJTXNKHAKZMIO-LBPRGKRZSA-N 295.810 4.668 30 10 CJEE CCCCCC/C=C/NC(=O)Oc1ccc(C)c(C)c1 207029267 YHCRQMZXIBQHQO-FMIVXFBMSA-N 275.392 4.876 30 10 CJEE CC#CC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)(C)C 212205002 CYNVWLQZAWKNHK-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(OCCCC#N)c1 221988564 IPQPGDDRSQGIBH-VKJFTORMSA-N 286.419 4.606 30 10 CJEE C#CCCCCN[C@H](CC(C)(C)C)c1ccccc1 229640924 OENOWQYBYYKTND-QGZVFWFLSA-N 257.421 4.557 30 10 CJEE C=C(CNc1cc(F)cc(Cl)c1)c1ccccc1 230005433 JWYZWTRPJYGAPL-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@@H](O)C1 230268966 JBBFGUDGYKVWPN-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cc(F)ccc1Cl 231820246 CRXVXPVQICKJPF-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1Cc2ccccc2N1 232934103 QIBZNSYEGVFPSI-ROUUACIJSA-N 275.436 4.525 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(Cl)cc2C)cc1 235870901 FTRRJEFBMNFWQI-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Cl)c(F)c1 236537761 YSRUHGJUFMGCEY-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CCCCCCCc1ccc(C(=O)NCC(C)C)cc1 248251509 JBQKHYJXCQMXTI-UHFFFAOYSA-N 275.436 4.585 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)CC[C@H]1C#N 250835884 UUSGDTJPNMJELH-OWCLPIDISA-N 251.414 4.692 30 10 CJEE CC1(CCNc2ccc(Cl)cc2C#N)CCCC1 310962893 BFAYAGUDPKJATO-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCCCNCc1coc2ccccc12 311889400 XUMKSZFGRYOZRI-UHFFFAOYSA-N 257.377 4.659 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(C)ccc1C 312246186 SQAPBSPVWWTMTC-GOSISDBHSA-N 271.448 4.784 30 10 CJEE N#Cc1ccc(Oc2ccc(N)cc2C(F)F)cc1Cl 312423776 UNQMYFCFMVXLQQ-UHFFFAOYSA-N 294.688 4.524 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCC23CCCCC3)C1 312996656 SKUVTZRWOBCKQC-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCNCCOCC1CCCC1 313262603 KXQKOFZPBTVBFC-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CCCc3ccccc32)C1 316693130 HPLQANBOUBKMPQ-AYBZRNKSSA-N 270.416 4.892 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCC3(CCCC3)O2)CC1 316799092 IQZMDANAZPTCJG-HNNXBMFYSA-N 278.436 4.654 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H](OC)c2ccccc2)C1 317393025 YRFPTTJCRFFNCT-NXHRZFHOSA-N 274.404 4.550 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1 318005298 QYZIJGXDOROHPW-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CC(C)CNC[C@@H]1CCCCC[C@H]1CC#CC(C)(C)C 379883761 UWRRNAMGOYIOND-ROUUACIJSA-N 277.496 4.868 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@@H]2C)CC1 384803233 YRRWOOHARJBMHM-BSDSXHPESA-N 277.452 4.818 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1ccc(C(C)(C)C)cc1 384895849 VFNHOVKOWIUHRN-KSSFIOAISA-N 255.405 4.857 30 10 CJEE Cc1cc(Cl)ccc1N[C@@H](CC#N)c1ccccc1 388359975 FACGDSVJZZEXJE-INIZCTEOSA-N 270.763 4.715 30 10 CJEE C=C(Br)CSCc1ccc(Cl)s1 393332174 NTPPEQKVSAEXOE-UHFFFAOYSA-N 283.643 4.543 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@H](CC(C)(C)C)CS1 393492717 NZPZCXZWWRJLAP-UONOGXRCSA-N 284.513 4.698 30 10 CJEE C=CC[C@@H](CC)NCc1sc2ccccc2c1Cl 393741012 BTPPQHVCSLAKDG-LLVKDONJSA-N 279.836 4.999 30 10 CJEE CCC(=CC(=O)c1ccsc1C(F)(F)F)CC 395020357 QZTOACYGFJMYFZ-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE CCCCCCCCC[C@H](COCC1CC1)NCC 395492190 LDKDSDBWVYGHEK-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C[C@@]1(c2c(Cl)cccc2Cl)CCC[C@@H](CC#N)O1 400826088 UOTBODDBZLVULL-HZMBPMFUSA-N 284.186 4.691 30 10 CJEE C=CCC[C@H](NCc1cccc(-c2cccnc2)c1)C1CC1 467632717 JEUWDKPTRAPJDD-FQEVSTJZSA-N 292.426 4.583 30 10 CJEE C=CCC[C@H](C)NC1CC(c2cccc(Cl)c2)C1 680464779 NCSKISMLQMHQOX-YGONEPDPSA-N 263.812 4.530 30 10 CJEE CCCCCCCC[C@H](O)c1cccc2c1COCC2 688358659 KTYMULLOJUSUDY-SFHVURJKSA-N 276.420 4.543 30 10 CJEE C=CCC[C@H](C)Nc1cccc(Br)c1Cl 690864679 KENUEIYGYXWPQG-VIFPVBQESA-N 288.616 4.869 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(OC)c1C 691204220 CAIASEXSJICYNF-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CC2CCC1CC2 691646378 WMZNXRCWIAUQIM-GQGLESIBSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](c1cccs1)C1CC1 692189026 DGGXVNYDJJYKIX-KMFMINBZSA-N 275.461 4.924 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1C[C@H]2CC(=C)C[C@H](C1)C2 697268667 BPDTZBLVJBIXMI-DWRORGKVSA-N 273.464 4.846 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@](C)(C#N)CCC(C)(C)C 698915000 CMPNARZFLWZNFF-KRWDZBQOSA-N 296.455 4.742 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C(C)(C)C)ccn1 699554727 MISSNFLRIUHSMP-HOCLYGCPSA-N 272.436 4.926 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2cnccc2c1 702827389 KDJWNSZMJJKMOA-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCSc1ccccc1NCc1ccncc1Cl 704348168 DDVXDORAPIIKJH-UHFFFAOYSA-N 290.819 4.625 30 10 CJEE C[C@H](Cn1ccc2ccc(C#N)cc21)CC(C)(C)C 709265823 VTZZYGVUNRJQND-ZDUSSCGKSA-N 254.377 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(C)C 709344513 NGXINPDPYCYTII-VSZNYVQBSA-N 263.469 4.926 30 10 CJEE C=C(Cl)C[C@H](N)c1cc(C(F)(F)F)ccc1Cl 710654431 QCMSXOHPJRRHPP-JTQLQIEISA-N 284.108 4.501 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C2CCCC2)C2CCC2)c1 711848448 YSVANSBKLNUCFI-SFHVURJKSA-N 268.404 4.638 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CC(C)(C)CC[C@H]2C)cc1 713078848 RLEPCIHRUSSUCC-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE CC(C)[C@H](/N=C1/NC2(CCCCCC2)CS1)C1CCC1 713254732 NXGPNKDXOHDDCO-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NCC 716925779 LGXUVULCEMNGQR-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cscc1C(F)F 717194348 XYEHNHHMKAPQBB-GFCCVEGCSA-N 259.365 4.693 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CCC(SC)CC1 720455129 YZHXBRXFZYMOBT-ABHNRTSZSA-N 295.536 4.860 30 10 CJEE CCCCCCCC1(CNCC)C[C@@H](C)O[C@H](C)C1 724293286 VNARAXJLKLQVES-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=C1CCC(CN[C@H](C2CCCCC2)C2CC2)CC1 724566615 PMXRDDVUFTWSDW-GOSISDBHSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](CSc2cccc(F)c2)NC)CC1 724576322 WMTXBVMYMUYZJN-MRXNPFEDSA-N 293.451 4.642 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 724591938 GCXXCWXCZHFFOF-YRXWBPOGSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2C3(CC3)C23CC3)CC1 724608740 YRDXBPKCEHAQKZ-MRXNPFEDSA-N 273.464 4.681 30 10 CJEE N#CCc1sc2c(C(F)F)cccc2c1C(F)(F)F 725277637 XGQNFFCGXNYRSV-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CCc1c(C#N)c(SC(F)(F)F)cc2sccc12 725292143 MTIZPKOTHFDASR-UHFFFAOYSA-N 287.331 4.947 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](c1cccnc1)C1CC1 793545829 CWNKYJJZZNAFCP-MAUKXSAKSA-N 272.436 4.647 30 10 CJEE CCCCOc1ccc(C=NNc2ccc(C)cc2)cc1 1083959619 SUIIIZRYKHSZDZ-UHFFFAOYSA-N 282.387 4.620 30 10 CJEE C#CCCCCCC(=O)N1c2ccccc2CC[C@@H]1C(C)C 1127355602 PRZMWOSCHVQXOK-GOSISDBHSA-N 297.442 4.574 30 10 CJEE C=CCN(C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21)C(C)(C)C 1131324486 ILIRVOCHXZXSDJ-HOTGVXAUSA-N 299.458 4.789 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 1156352618 NZAYJUHJNUQDDK-APWZRJJASA-N 297.442 4.550 30 10 CJEE C=CCn1cc2ccc(NC[C@H]3CCC[C@H](CC)C3)cc2n1 1179662353 JEOBTGIKYGKKGI-HOTGVXAUSA-N 297.446 4.851 30 10 CJEE C=CC[C@H]1CCN1C(=O)[C@H](CCC)CC1CCCCC1 1180063911 QVZIMFNIUSJHSC-SJORKVTESA-N 277.452 4.550 30 10 CJEE C=CCCC[C@@H](NCC#Cc1ccccc1)c1ccccc1 1183549773 DUOYVFAHTVDSCJ-OAQYLSRUSA-N 289.422 4.725 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Br)cc1 1188310341 YHXFKACNRAPNSX-SECBINFHSA-N 257.196 4.506 30 10 CJEE C=CCCCCCN(C)C(=O)Nc1ccc(F)c(CC)c1 1205013989 SDGWEOBTZIZJCE-UHFFFAOYSA-N 292.398 4.598 30 10 CJEE C=CCN(Cc1cc(O)cc(Cl)c1)CC1CCCCC1 1308633833 DYAKCWFGVIIJTQ-UHFFFAOYSA-N 293.838 4.614 30 10 CJEE N#Cc1ccc(CSCc2ccc3ncccc3c2)cc1 1320329854 PVFMZQMYZWGJNA-UHFFFAOYSA-N 290.391 4.540 30 10 CJEE C=CC1(CC(=O)Nc2ccc3ncccc3c2)CCCCC1 1339484767 VMLQBWNCBCKELC-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C)cc1C 1465127521 OMLZMHBDIVAFBV-WBVHZDCISA-N 286.419 4.560 30 10 CJEE C=CC(C)(C)NC(=O)Nc1ccccc1Oc1ccccc1 1465148598 MTWOGMWZZNLNIY-UHFFFAOYSA-N 296.370 4.565 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C)C1CCC(CC)CC1 1479090413 CJABTHZLZBOWQQ-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CCCCCCCNC(=O)c1ccccc1C1(C)CC1 1525672117 ZWXCISVHIAPBNV-UHFFFAOYSA-N 285.431 4.604 30 10 CJEE C=CCCC1(CNC(=O)[C@H](CC)CCCC)CCCC1 1532340891 UTWPIGUOPMVNSR-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCC1(C(=O)NCC2CCC(C(C)(C)C)CC2)CCC1 1534544196 DBZQMZZYUCHJRV-UHFFFAOYSA-N 291.479 4.702 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(NC2CCCC2)c1 1557700212 XOOUXWQFTSADOH-UHFFFAOYSA-N 286.419 4.582 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(SCC)c1 1560555002 WAWRONGJAIWJSK-UHFFFAOYSA-N 277.477 4.881 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CCCC1 1586149448 PGEUNDNSPWDDTP-CVEARBPZSA-N 293.495 4.948 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C1C[C@H](C)C[C@@H](C)C1 1586657963 QAOJLSBXPITRIZ-IAGOWNOFSA-N 299.458 4.664 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCCC[C@@H]2CC)CCCCC1 1595726023 HNLKTJCHAJOGBF-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=C(C)CCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 1617792312 PEHNHUITBBNBFJ-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)C=CCCC2 1617924990 UKWDLEBBPKTJQD-AWEZNQCLSA-N 269.388 4.577 30 10 CJEE C=CCC1(NCc2ccc(C3CCC3)cc2)CCCC1 1621006192 AIKTVRLDHPGJLQ-UHFFFAOYSA-N 269.432 4.933 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(OC(C)C)c(C#N)c1 1621243884 WLJHMWRLLJSHCF-MRXNPFEDSA-N 286.419 4.892 30 10 CJEE C=C(CC)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 1627445336 UZLMIGMUSPYPBN-HNNXBMFYSA-N 295.382 4.622 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)CCc2ccc(C(C)C)cc2)C1 1632373313 GHWOOXDHFGNTBN-GOSISDBHSA-N 299.458 4.557 30 10 CJEE C=C(C)CN(CCC(C)(C)CC)Cc1cnn(C(C)C)c1 1643064973 WFHIPNGHAVZILG-UHFFFAOYSA-N 291.483 4.668 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1cccc(SC(F)(F)F)c1 1644567377 RULIPGPLZZPPPE-MNOVXSKESA-N 289.366 4.914 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@H](C)Sc2ccccc2)C1 1650629926 BOXUYKWHXGGQRE-BZUAXINKSA-N 275.461 4.502 30 10 CJEE C#C[C@@H](N[C@H](CCC)Cc1ccccc1)c1ccc(F)cc1 1658185962 IKIXZTCVMUATBY-WOJBJXKFSA-N 295.401 4.501 30 10 CJEE C=CCCCCCCCNCc1cc(C)c(O)c(C)c1 1658273650 RNAVSJBOGJRWBO-UHFFFAOYSA-N 275.436 4.625 30 10 CJEE C#C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1F 1659187075 GZWXETIVXKAYJB-IGCXYCKISA-N 293.813 4.569 30 10 CJEE C=CCCCCCCCN[C@H]1CS[C@H](C(C)C)C1 1659384796 FYJSPRDKJKXMOB-CVEARBPZSA-N 269.498 4.633 30 10 CJEE C#Cc1ccc(NCc2ncc(C(C)C)s2)c(Cl)c1 1663382569 NWODQTYWCYAMHC-UHFFFAOYSA-N 290.819 4.513 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H](C)[C@H]1CC 1682859426 IOTDJHOBGKKHPL-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE CC#CCCCC[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@H]21 1885226151 BDYYBFQYATVBBQ-TVFCKZIOSA-N 262.437 4.538 30 10 CJEE C=C1CCC(CC2(O)CCC(C(F)(F)F)CC2)CC1 1886402966 LFKLALLUFUMNIE-UHFFFAOYSA-N 276.342 4.607 30 10 CJEE C#CC[C@H](C)CC(=O)c1cccc(SC(F)(F)F)c1 1887397388 NENKOOJIBRVXIF-JTQLQIEISA-N 286.318 4.531 30 10 CJEE C=C1CCC(C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2NCCC)CC1 1888518778 MBSDJELKPVIYCD-FJIDUMEYSA-N 261.453 4.537 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1cscc1C(F)(F)F 1888689728 SFFISLXFSUUWDK-CYBMUJFWSA-N 284.302 4.514 30 10 CJEE C=C(c1ccccc1)C1(O)CCCCCCCCC1 1888700123 CMRWEQNMGZAQGS-UHFFFAOYSA-N 258.405 4.955 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@@H]1CCCC(C)(C)CC1 1888711781 MDTYKNFAEFAYAI-SJORKVTESA-N 258.405 4.667 30 10 CJEE C=CCC1(NC[C@@H](c2ccccc2)C(C)C)CCC1 1913964323 LFDZDVLEHZHOPE-QGZVFWFLSA-N 257.421 4.515 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H]1CCCc2cccnc21 1919872123 MRHLJPBNOASPHP-FUHWJXTLSA-N 275.436 4.613 30 10 CJEE C=CCOc1ccccc1[C@@H](O)C1=CCCCCCC1 1920022305 PNJSKQRPFJWJPM-SFHVURJKSA-N 272.388 4.565 30 10 CJEE O=C[C@@]1(CC[C@@H]2CCCC2(F)F)CCCC12CCC2 1921622860 ZFCYRKVKXBAFQU-ZFWWWQNUSA-N 270.363 4.742 30 10 CJEE C=C([C@](C)(O)c1cccc(Cl)c1Cl)[Si](C)(C)C 1922966322 UYEPCBOKZFXDSL-ZDUSSCGKSA-N 289.278 4.635 30 10 CJEE CCCCCCCCCNCc1nc(CC)cs1 1926347967 FYOMKEPNVZEQNT-UHFFFAOYSA-N 268.470 4.546 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(Cl)c1 1927667729 OQYISMJYCGCLOK-SMDDNHRTSA-N 294.782 4.795 30 10 CJEE C=CCCCCCCCCN(C)CC(=C)Br 1995326067 SJPDUYYJWODVBF-UHFFFAOYSA-N 288.273 4.744 30 10 CJEE CCC(C=O)(CC)CCc1cc(Cl)cc(Cl)c1 2000498223 YBZSXRJUZZKZNM-UHFFFAOYSA-N 273.203 4.931 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)c1cc(Cl)c(Cl)s1 2000521478 VLADQFARUBRLDR-PWSUYJOCSA-N 292.231 4.808 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CS[C@H](C)C1 2026309698 HTHMAQXXQZJRCQ-CABCVRRESA-N 256.455 4.550 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCCOCC1 2028628622 OKRILJRLKAEGCL-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE Cc1cc(C#N)ccc1CSCc1ccc(Cl)o1 2028946521 NYULAFOHOWNWCL-UHFFFAOYSA-N 277.776 4.547 30 10 CJEE CCC[C@@]1(C)CSC(=Nc2ccc(C)cc2Cl)N1 2029958283 ZSMKEGLWTYHANS-AWEZNQCLSA-N 282.840 4.531 30 10 CJEE C=C([C@H](N)c1cc2ccc(F)cc2s1)C(C)(C)C 2035417164 GCJCAGACKRODQB-AWEZNQCLSA-N 263.381 4.643 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(C)coc1C 2035533105 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261.453 4.847 30 10 CJEE CCCCCCCCN[C@@H]1CCC[C@@H](P(C)(C)=O)C1 2104500895 SSKDWNUXRLJXTO-HZPDHXFCSA-N 287.428 4.870 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cccc(N)c1 2107773271 LNCLLVWGANFUPB-QGZVFWFLSA-N 262.441 4.670 30 10 CJEE C=C([C@@H](CCCCCCCCCC)NN)[Si](C)(C)C 2108234343 OCJJGXQGRKEHFQ-MRXNPFEDSA-N 284.564 4.783 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccccc1O 2108234880 SDQZXCNRXYGRIJ-MRXNPFEDSA-N 263.425 4.923 30 10 CJEE CCCCCCCCCC[C@@H]1CCOC[C@@H]1NCC 2108291606 OOFYRJIFKCYZDY-SJORKVTESA-N 269.473 4.532 30 10 CJEE C[C@@H](CCS)CCN(C)CC[C@@H](C(F)F)C(C)(C)C 2111397164 UNVKWKCWEUUIRQ-OLZOCXBDSA-N 295.483 4.582 30 10 CJEE CC1(C)CCC[C@](C=O)([C@H]2[C@H]3CCCCC[C@H]32)CC1 2111889817 SUTFCMNVNCKPCI-DFGXFYAUSA-N 262.437 4.988 30 10 CJEE CN(C1CCCCCCCC1)[C@H]1CCCC[C@H]1C#N 2112571657 SUICSWIEWJPCRC-RDJZCZTQSA-N 262.441 4.504 30 10 CJEE C=CCCC[C@H](C[C@H]1CCC[C@@H]1C(F)(F)F)NCC 2116487346 DDQAVDUIVUPVGJ-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C#CCCCC[C@@H](NCC)C1(C)CCCCCCC1 2116871239 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CN(CCCCCCCCCS)C[C@@H]1CC12CCC2 2133064176 LPXJLAWMMHKJKU-INIZCTEOSA-N 283.525 4.769 30 10 CJEE C=CCC[C@H](C)N(C)c1cccc(F)c1C(F)(F)F 2134278170 SPWCWBMOHBQQBY-JTQLQIEISA-N 275.289 4.635 30 10 CJEE CCCCCCC[C@]1(C)NC[C@@]2(CCCC[C@@H]2C)O1 2136790853 AKUKYILKDDJDDY-GVDBMIGSSA-N 267.457 4.632 30 10 CJEE CC1(C)CC(C[C@]2(C#N)CCCCO2)CC(C)(C)C1 2138434049 SMHYCNZJOPNUCX-KRWDZBQOSA-N 263.425 4.692 30 10 CJEE COc1cc(Nc2cccc(C#N)c2)c(Cl)cc1Cl 2138482584 HBPQEFAHMCLHGM-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE COc1c(C(=O)C2=CC[C@@H](C)CC2)ccc(Cl)c1Cl 2138593818 NBOOHRCULWUGBQ-SECBINFHSA-N 299.197 4.931 30 10 CJEE CCCCC#CCN(CC(C)C)C1CCCCCC1 2139020162 XCFUDEISNQTOPH-UHFFFAOYSA-N 263.469 4.861 30 10 CJEE C#C[C@@H](NCc1cc2sccc2s1)C1CCCCC1 2140585426 SBYXKBBOKMDNMO-CQSZACIVSA-N 289.469 4.635 30 10 CJEE C=CCCCCCC[C@H](NN)c1ccc(Cl)c(F)c1 2141916625 NKARPDGQWAFDIZ-HNNXBMFYSA-N 284.806 4.510 30 10 CJEE C=CCCCCCCCCN1CCC(F)(F)[C@H](C)C1 2142392012 LSFIFHOZXVWAMX-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE C=CCCCCCCCCN(C)Cc1ccc(C)o1 2142392183 GIFIQEFYTLITEX-UHFFFAOYSA-N 263.425 4.937 30 10 CJEE C=CCCCCCCCCC(=O)c1nc(C)oc1C 2142394914 RVJOVYATOXBTRE-UHFFFAOYSA-N 263.381 4.781 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1SCC[C@H]1C 2142398402 UQJUKDUEDKLLDF-IAGOWNOFSA-N 283.525 4.977 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@H](CC)CCC 2142454116 XXEWEJDYABWAGN-SJORKVTESA-N 270.505 4.575 30 10 CJEE Cc1c(Oc2cc(Cl)ccc2Cl)ccc(N)c1C#N 2142505076 PRCGPGVXVDENFD-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCC[C@@H](C)CCN=C1N[C@H](C2CCCCC2)CCS1 2146603011 RQXXKWHUJRUTFM-ZBFHGGJFSA-N 296.524 4.844 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CC1CC(C)(C)C1)NCC 2147966049 SVLKDMNQWAWLBD-IAGOWNOFSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](O)c1cccs1 2148591850 QKALKCXRWXTKID-NVXWUHKLSA-N 297.508 4.900 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCc4ccsc43)C[C@@H](C1)C2 2151710419 BYWBNZYWGYPZFX-BBJBPXSTSA-N 287.472 4.850 30 10 CJEE C=C([C@H](CC12CC3CC(CC(C3)C1)C2)NC)C(C)(C)C 2152940803 DWFOZCYIXXWRCO-WCWCZOKXSA-N 275.480 4.783 30 10 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Cc1cccc(C[C@@]2(C=O)CCCCC23CCC3)c1C 2203041876 QWCLWKMOECPLEV-LJQANCHMSA-N 270.416 4.776 30 10 CJEE CCCC[C@@](C#N)(CC)C1(O)CC2(CC3(CCC3)C2)C1 2204092763 FRTOUDYVVKPKOA-QGZVFWFLSA-N 275.436 4.572 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1cn(C(C)C)cn1 2206886006 OWAFNFVAICNVAC-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1COC[C@@H]1CCC 2207371758 ARUPJSBNIQBCFF-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)[C@@]1(C)C[C@@H]1C 2207374462 CAVLZWZURXMBED-SZMVWBNQSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)C1(C)CCC1 2207374953 DPMUCUHZLCUHRX-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCNC[C@H]1CC[C@@H](C)CO1 2207403973 LRABUPCNXDQNPR-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](O)C1(N(C)C)CCCC1 2207406028 ZMOUWILGHLPTGY-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CC[C@@H]1CC(=O)O 2207408139 HBDGEUQRBIBPHI-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@@H](NCCC)[C@H](O)CC 2207416577 XVTZARDRZKCALH-QZTJIDSGSA-N 283.500 4.822 30 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C=CCCCCCCC[C@@H](N)C[C@H](C)C(F)(F)F 2220097685 PAROXNGCYWLPNR-QWHCGFSZSA-N 265.363 4.819 30 10 CJEE C=CCCCCCCCC[C@H](NCC)P(C)(C)=O 2221505422 YAKXVTATSXAQRL-OAHLLOKOSA-N 273.401 4.852 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2CC[C@@H]2C1 2223853805 KLRPEGVWIRTPNX-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225319987 YGQXQAJYGNDUMJ-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1scc(C)c1C 2225928299 WTQPYIMOBJCGNT-INIZCTEOSA-N 282.449 4.659 30 10 CJEE C=CCCCCCCC[C@H](NC)C1C2(CC2)C12CC2 2227292223 YHAIJWUNNAZKHL-HNNXBMFYSA-N 261.453 4.681 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1cccc(C)c1 2227516825 GBKLUKLWXVMHMC-IBGZPJMESA-N 279.449 4.927 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccnc(C(C)C)c1 2228110044 RORPUHXQKMMNOM-QGZVFWFLSA-N 263.425 4.773 30 10 CJEE CCCCCCCCCCOc1ncc([C@@H](C)O)s1 2231008550 JWKCQPLRSBJUES-CYBMUJFWSA-N 285.453 4.716 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)[C@H](C)CC 2231017254 PNFSZVCZNGLEMB-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@@](C)(CNC1CC1)OC(C)C 2231857599 SORSSVGXTDGRAT-KRWDZBQOSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@](C)(CN)CCCC 2231905272 GUENATGWXFYWSH-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2233182906 HPHKYXDMOOPCPY-XLAORIBOSA-N 281.484 4.660 30 10 CJEE C=CCCCCCCC[C@H](NCCC)c1cc(C)on1 2235513926 ODUZHTSIXXBZJX-INIZCTEOSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCOc1ccccc1CNCC 2235520597 AXQGCBWVZWZCEM-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@](O)(CC)C(C)C 2235524381 PMZOBBAQWMQWBY-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCN1CC[C@H](COC)C1(C)C 2236695359 UQDLBCMHIOOAAZ-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE CN(C)c1ccc(OCCCCCCCCCS)cc1 2237698348 PBEMAETXQOUCKM-UHFFFAOYSA-N 295.492 4.792 30 10 CJEE C=C[C@H](CCCCC)OCC1(CN[C@H](C)CC)CCC1 2239490652 SSUYDFBBZVUWLZ-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCOC(=O)c1cc(C)nc(Cl)c1 2239553303 XOZLBSZWCLZLMA-UHFFFAOYSA-N 297.826 4.951 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2240117621 MVLWMYYFEAJKCO-XDNAFOTISA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@]12CC[C@@](C)(C1)OC2 2240620959 AQBSFISKADPKIB-BZSNNMDCSA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCCC(F)(F)F 2240637810 MSZSTOYWRIBZLF-CQSZACIVSA-N 296.373 4.790 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CC=C(C)C)NCC 2240665394 CCLGEFZRSXCGFD-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2coc3ccccc23)C1 2241178309 PTEQIWSGFAAGIR-SFHVURJKSA-N 270.372 4.761 30 10 CJEE C=C(C)CCC(=O)c1sc(Cl)cc1Br 2242102070 SEJZSPXYYVIGEI-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE C=CCC[C@@H](C)Nc1cc(F)cc(Br)c1C 2244839784 BDWKDJUYQMFCQM-SECBINFHSA-N 286.188 4.663 30 10 CJEE CCCC[C@H](CC)Oc1cc(Br)cc(C#N)c1 2249873153 CMFFRMCNGDSTOR-ZDUSSCGKSA-N 296.208 4.668 30 10 CJEE CCCCCCC[C@](C)(N)C1CC2(CC(C)C2)C1 2254456792 ZOVZYNGDJUBHQP-PYCMUAIMSA-N 251.458 4.891 30 10 CJEE CCC(CC)(CS)COCC[C@@H]1CCCC12CC2 2255288478 QCQMJZURZHLPTG-AWEZNQCLSA-N 270.482 4.710 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(C2CC2)c1 2256049418 YCJDOSPWBLZMLR-WBMJQRKESA-N 263.450 4.878 30 10 CJEE C=C(C)CCCC[C@](C)(O)C1C[C@H]2[C@H](C1)C2(C)C 2259189104 ZNWHQSWRRZTIBS-ZOBUZTSGSA-N 250.426 4.556 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC 2259192313 DWSBEAIDJYEEJQ-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE C=C[C@@H](C)CCNCc1sc2ccccc2c1Cl 2260239984 GHTAMTICGZDSSO-LLVKDONJSA-N 279.836 4.857 30 10 CJEE CCCCCCCC(=O)C#Cc1ccccc1Cl 2263363110 PYFSRHUARWVLGP-UHFFFAOYSA-N 262.780 4.621 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@@H]1[C@H]2CCC[C@H]21 2263659397 GSFZCPSXDCZDOE-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CC12CC2 2263712168 MYLGMUWWRFGYNG-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE SC[C@@H](COCC[C@H]1CCCCC12CC2)C1CCC1 2264999697 SJCSCGLXYQZAIX-HZPDHXFCSA-N 282.493 4.710 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@](C)(C=O)c2ccccc2)C1 2265127408 ONDATBACWAZOLT-JFIYKMOQSA-N 258.405 4.750 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc(Cl)c2OC)CC1 2267991255 XTYKZSOCNJHBOB-NSHDSACASA-N 278.779 4.668 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1csc(Cl)c1OC 2268915832 UXWFUVWAQHTHFE-LBPRGKRZSA-N 299.867 4.500 30 10 CJEE C=C(C)CCCC[C@H](C[C@H](C)c1ccccc1)NC 2271833241 MURPNCWCLHTMJN-FUHWJXTLSA-N 259.437 4.905 30 10 CJEE C=C(C)CCCCC[C@@H](COCCCC)NCCC 2271833860 VTKBRSPLCKHEDS-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C[C@@H]1O[C@H](C)C[C@@]1(C#N)CC1CC(CC(C)(C)C)C1 2274358659 OHVJANARBILECJ-BIPUWPRCSA-N 263.425 4.546 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)CC)OCC(=O)O 2275409830 XOSDDATYPCGBKS-LSDHHAIUSA-N 272.429 4.643 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@H]1CC1(C)C 2276316434 UXLXPZHPGDNCGU-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE C/C=C/CCC[C@](C)(CCCCCCC)OCCN 2276512768 VPMIYWNDRNZTAU-QQOXCAACSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)CC)OCCN 2276576229 SPZIRYDPUDWFQQ-MRXNPFEDSA-N 271.489 4.907 30 10 CJEE C=C=CCC[C@@H](CCCCCCCCC)OCCN 2276741814 ZTCOXJNZNHCIMZ-KRWDZBQOSA-N 267.457 4.592 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@@H]1C)OCCN 2276770820 LEJMNIAYDYZBHB-YESZJQIVSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)[C@@H](C)CC 2278246294 PMLRUAFGGTVIOM-BBWFWOEESA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1cn[nH]c1 2278246465 QCHDOKCWCHEJPO-GJZGRUSLSA-N 265.445 4.590 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1cc2ccccc2s1 2280179229 SUGLMRBBFKEPQM-PBHICJAKSA-N 291.460 4.623 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1cc(C)c(C#N)c(C)c1 2280561817 CEJWSSVVSVPDKP-CVEARBPZSA-N 270.420 4.803 30 10 CJEE C=CCCCCCOc1ccc(CNCCC)c(C)c1 2282786272 CRLHJOXAALRWPF-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE CCc1ccc(C#N)c(Nc2ccc(OC)cc2Cl)c1 2283234776 AIUDIMXQNPXLTL-UHFFFAOYSA-N 286.762 4.526 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@@H]1CC1(C)C 2284071890 YJIUDLDPFLKNSF-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(SC)CCC1 2284096087 QCJDNQQEZWRGDH-MRXNPFEDSA-N 293.520 4.636 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC1(C)CCCC1 2284175489 KFHRKCISFZYFBW-KRWDZBQOSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C1CC2(CCCCC2)C1 2284180699 NRPDVRMOKORZNB-QGZVFWFLSA-N 274.448 4.704 30 10 CJEE CCCN[C@@H](C#Cc1ccc(C)cc1)[C@@H](CC)CCC 2287661337 QKDUROVZKUNESB-OALUTQOASA-N 271.448 4.541 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CCCCNCC1 2287922292 XKLSIWZGMCOYIR-GOSISDBHSA-N 281.484 4.578 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@]12CCC[C@@H]1CC2 2289014653 OOBBHFALGWRKQW-SQNIBIBYSA-N 278.484 4.705 30 10 CJEE O[C@@]1(C#CC2CCCCC2)CCCCCCCC1(F)F 2289777940 XPCPRKHYMHOECZ-MRXNPFEDSA-N 284.390 4.681 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CC1CC(CC)C1 2289869157 SASZDFQDZHXGGS-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1csc(C)c1C 2289873431 DCKQVWNQUGJNNS-GOSISDBHSA-N 289.488 4.989 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2289926001 ZYGJVAMGFLFMAK-OKZBNKHCSA-N 272.432 4.746 30 10 CJEE Cc1cc(C#N)ccc1OCC1CC(CC(C)(C)C)C1 2290034724 NZJVBSIKJKCKGJ-UHFFFAOYSA-N 271.404 4.708 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C=O)CCCOC2(C)C)C1 2290055444 XTCWNGDQLKAVMV-JMLCCBQJSA-N 280.452 4.613 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1[C@H](O)C(C)(C)CCC1(C)C 2290228371 BWZLTQCOQNPJBC-OWCLPIDISA-N 282.468 4.714 30 10 CJEE CCCCCCCCC[C@H](CCC1CC1)OCC(=O)O 2290572459 WNOPNKXBAPEKHF-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=CC1(OCCC(=O)O)CCCCCCCCCCC1 2291722705 DHCCOKDTEFYKJA-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)[C@@H]1CCC1(C)C 2292791683 IXYKCPJMLKRACK-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCC#CC[C@@H](CCCCCCCCC)OCCN 2292877583 WKMUUEGXGVRLQH-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCC[C@H](C)[C@@](CC)(OCCCN)C1CCCCC1 2293132474 JVRUQLNDZXPUSX-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)C(F)(F)F)OCCN 2293663506 MGMTZHSAOFIFFY-KGLIPLIRSA-N 297.405 4.669 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1CCC[C@@H]1C 2293874141 TXAGBQRDIOOBGS-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@](CCC)(OCCN)[C@@H]1CC1(C)C 2293889392 DSYIMVGSJMQKOB-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCC1(C)CN(Cc2c(C)c(C)c(C)c(C)c2C)C1 2294685616 QTGIEXBPKNBQPD-UHFFFAOYSA-N 271.448 4.627 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C1CC(CC)C1 2295595692 BNEMEOBFNHPRSK-LEOMRAHMSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CC(C)(C)C)NC 2295682515 QZHQPKOOZQWPJK-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE C#CCCCCCN[C@H](c1ccccc1)C1CCCC1 2295714268 MHBLYOQTIKVNIP-LJQANCHMSA-N 269.432 4.701 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1C[C@@H](SC)C1 2299279376 UFWDYWFARWSKPW-OKILXGFUSA-N 254.439 4.614 30 10 CJEE C=CCC(CC=C)Oc1ccc(Br)cc1CC 2301049426 XQVPPTXUHXGLHA-UHFFFAOYSA-N 295.220 4.911 30 10 CJEE C[C@H](CCS)CCOCc1cccc(Cl)c1Cl 2301346240 OPVXMROGYKJTIK-JTQLQIEISA-N 293.259 4.856 30 10 CJEE C=CCC(CC=C)C(=O)c1csc(C(F)(F)F)c1 2316683389 MPRZTHRDNWGKJD-UHFFFAOYSA-N 274.307 4.718 30 10 CJEE C=CCC(CC=C)C(=O)c1csc2ccccc12 2316693046 HTIGUUDETWNRJD-UHFFFAOYSA-N 256.370 4.852 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCC(F)(F)F)NCCC 2321117864 QDVAIFCJIACBHX-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CCC(C)(C)CC1 2321228148 KSZSCIIVABKAMW-NVXWUHKLSA-N 252.442 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1[C@H]2CCCCC[C@H]21 2321237925 RCRUAODGHQBCRK-QEOTZNIISA-N 250.426 4.556 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CCCC[C@H]2C[C@@H]21 2327165512 KIYQKJUKXOUDBR-AYDFFVQHSA-N 270.482 4.564 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2329632349 MMXWQBWCMMTIET-IGQOVBAYSA-N 277.374 4.545 30 10 CJEE C=CC1(C[C@@H](NC)[C@@]2(C)CC[C@@H](C)C2(C)C)CCC1 2329946364 OWDQDBPYYJOADK-BFYDXBDKSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)OC(=O)Cc1ccc(Cl)c(Cl)c1 2335106834 DTONBBSIOFNXEQ-UHFFFAOYSA-N 299.197 4.600 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@@H](NCC)C[C@@H](C)C[C@H]1C 2335199763 GAXIIEJKZBNMHY-HDEZJCGLSA-N 281.509 4.653 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC(C)(C)[C@H]1NC 2335207686 VFHBFEIRHJUDTE-HOTGVXAUSA-N 281.509 4.797 30 10 CJEE C=CCCCSc1ccc(C)c(Cl)c1CNC1CC1 2335569585 BKBIOYSWCXBXAC-UHFFFAOYSA-N 295.879 4.959 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cscc1C(F)F 2337438644 IKSWVAJXXXRORQ-AWEZNQCLSA-N 283.387 4.530 30 10 CJEE CCc1ccccc1COCC1(CS)CCCCC1 2337757815 MJAXGTDAFZNMDS-UHFFFAOYSA-N 278.461 4.646 30 10 CJEE C#CC1(NCC=C(C)CCCC(C)C)CC(C)(C)C1 2338446454 HBKUZBSJDLZDJF-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE C=CCC(CC=C)[C@H]1C[C@H](NCCC)CC(C)(C)C1 2338660005 MINAQRKFZMANCU-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(F)cc1C 2338734021 WZFHCPGLPKCQFW-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 2338742244 UPBSURJNNCIMMA-DJIMGWMZSA-N 260.421 4.930 30 10 CJEE C=CCC1(NC[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC1 2339091526 NZDBSFNUKYPXPA-YESZJQIVSA-N 261.453 4.681 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccc(Cl)cn1 2344386891 ZYCYTEUMIQHHCT-JKSUJKDBSA-N 280.843 4.768 30 10 CJEE CC[C@@](C)(CN(C)C[C@@](C)(CS)C(C)(C)C)C(F)F 2352068929 OZYRRFRTSCLBLN-GJZGRUSLSA-N 295.483 4.582 30 10 CJEE C[C@@H]1CCC[C@@H](CN(C)C[C@@](C)(CS)C(C)(C)C)C1 2352167448 FRBQETYENPMBQH-INMHGKMJSA-N 285.541 4.727 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCC2(CCCCC2)C1 2353840604 AVMGFOMMFLDRCW-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(F)(F)F 2354232959 SSOCTRRASSSVCZ-MGPQQGTHSA-N 294.405 4.548 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2c2ccccc2)CCCC12CCC2 2357777657 YYWSJCAKUDKZRN-LNLFQRSKSA-N 268.400 4.720 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1CCC)OCCN 2360102429 XRGNGPYAESSERP-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](SCc2ccco2)C1 37156245 ABVBUBXVQMDHKF-KCQAQPDRSA-N 277.433 4.867 30 10 CJEE CC(C)c1cccc(N[C@H]2CCCCC[C@@H]2C#N)c1 54824674 HPEHOHXHQFYFMK-WBVHZDCISA-N 256.393 4.694 30 10 CJEE CCCCCCCCOc1ccc(CC[C@@H](C)NC)cc1 59179050 KWWVCTAPSKROHZ-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCCC[C@@H]2C)C1 70409582 WYRVWCAXRQUAKO-XWTMOSNGSA-N 290.495 4.996 30 10 CJEE CSc1ccc(Nc2nc3ccccc3cc2C#N)cc1 71389698 JZUGNSMUVPKNSZ-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CCc1sc(-c2cccc(OC(C)C)c2)cc1CC#N 77097018 WSEZCAJHOUORRP-UHFFFAOYSA-N 285.412 4.831 30 10 CJEE CC[C@@H]1CCC[C@](O)(C2(C#N)CCC(C)(C)CC2)CC1 91903298 DWYMQGOUKFOGQF-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CC[C@@H](CS)CN(CC)c1cccc2ccccc12 94578508 HASNUTGENPDDFO-CQSZACIVSA-N 273.445 4.622 30 10 CJEE CCN(CC1(CS)CCCCC1)c1cccc(C)c1 94579317 UMRAVJRYIHDAKX-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE CCC1CCC(N(C)c2ccc(C#N)cc2Cl)CC1 104015110 DNZJFVRZKOBNQP-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CCCCCCCn1c(NCCC)nc2ccccc21 105540622 XTKGUQQTCZXAQB-UHFFFAOYSA-N 273.424 4.829 30 10 CJEE CCCCCCCOCc1occc1CNCC(C)C 107344977 WUCIQZQLBZEIJL-UHFFFAOYSA-N 281.440 4.512 30 10 CJEE C[C@@H](CS)Cc1ccc(Oc2ccccc2)cc1 107633615 FRQIBZZKFORMFC-CYBMUJFWSA-N 258.386 4.587 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CCCO1 109709015 CDVIGUFFXPYDCI-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CCCCCCCNc1ccc(N2CCCC2)c(F)c1 109913840 URHIHDGKEPLRJV-UHFFFAOYSA-N 278.415 4.808 30 10 CJEE CCCCCCCO[C@H](CNC)c1ccc(Cl)cc1 110067943 UJYAMESIFXQZGG-MRXNPFEDSA-N 283.843 4.588 30 10 CJEE Cc1ccc(Oc2cc(Cl)ccc2C#N)c(C)c1 110260609 SUZQGZFEGJDHMV-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCC[C@@H](Nc1ccccc1Cl)C(=O)O 110318890 YFMPCLNTWCZYBZ-CQSZACIVSA-N 283.799 4.566 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1cccc(F)c1 112885937 KQZPSYBHOWVINR-QGZVFWFLSA-N 266.400 4.870 30 10 CJEE CCCCCCCCCC(=O)[C@H]1COc2ccccc2C1 115841476 VGUJKUGFOUHHQO-QGZVFWFLSA-N 288.431 4.948 30 10 CJEE CCCCCCCCCN[C@H](C)CCC[C@@H](C)C(=O)O 116071127 OIMVATCHVZLENJ-HZPDHXFCSA-N 285.472 4.606 30 10 CJEE N#C[C@@H](CC1CCCCC1)Nc1ccc(Cl)cc1 125221151 GJBCLRVCMBWOFK-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE C=CCN(c1ccccc1[C@H](CC)NCCC)C(C)(C)C 127795168 XKBLJUJZUXYTJI-KRWDZBQOSA-N 288.479 4.928 30 10 CJEE C=CCCC[C@@H](NC)c1c(Cl)cccc1Cl 128838527 IKGUQWQOUKYNRZ-GFCCVEGCSA-N 258.192 4.610 30 10 CJEE CCCCCCCCn1ccc2ccc([N+](=O)[O-])cc21 129044609 XLOWVHQBTGHXFP-UHFFFAOYSA-N 274.364 4.910 30 10 CJEE CCSc1cccc(N(C)c2cccc(F)c2)c1C#N 136655629 VAJKKSDFVKFEMI-UHFFFAOYSA-N 286.375 4.577 30 10 CJEE C/C(=N\OCc1ccc(C)cc1)c1ccc(C)c(C)c1 147465681 HIZSTZQPRDBTCY-KNTRCKAVSA-N 267.372 4.553 30 10 CJEE CC1(C)CCC[C@@](O)(C2(C#N)CCCCCCC2)C1 158997970 VAQSKEPPELKEKK-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](OC)C1CCCCC1 167287520 QRBMOVIZYUFOHD-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1Cl 185231015 OEIQWTDFRRDJPE-CZUORRHYSA-N 291.822 4.606 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(Cl)c1C 220606975 WOODGUPEZYHPET-HNNXBMFYSA-N 268.832 4.513 30 10 CJEE C=C(C)C[C@H](N)c1ccc2cc(Br)ccc2c1 229740679 UKJZXPFFCYDSHN-HNNXBMFYSA-N 290.204 4.568 30 10 CJEE C=C(CNC(C)(C)C)CSCc1ccc(Cl)cc1 231584095 NJKZVSOCOSVEAD-UHFFFAOYSA-N 283.868 4.518 30 10 CJEE CC(C)[C@H](C)Sc1ccc(C(F)(F)F)c(C#N)c1 232748153 UWEISOYNOCGHJG-VIFPVBQESA-N 273.323 4.714 30 10 CJEE CCCCCCCCOc1cccc([C@@H](N)CC)c1 232939877 VFWYXQXFUHCVPT-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSc1ccccc1C 233152459 YZZRSNBWRLBJGC-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(OCCC)c1 233245665 GXZOHBXEFGVBDA-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(C)c(C)c1)NCC 233537564 WFCMCCDOFFXZIU-IBGZPJMESA-N 273.464 4.961 30 10 CJEE CC[C@H](Nc1ccc(C#N)c2ccccc12)C(C)C 234039258 VYLWHYCPSJNSHO-INIZCTEOSA-N 252.361 4.558 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(C)cc1Cl 235758066 VEYWOWRYDVLRIJ-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 249802925 NQAGRZZKOKLPGS-FGTMMUONSA-N 278.484 4.996 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@H]2C[C@H]2C)o1 250829275 PPHOCNQQEYMTTJ-RDBSUJKOSA-N 250.382 4.797 30 10 CJEE CC(C)(C#N)c1cn(C2CCCC2)c2ccccc12 260152908 VPSQHHALFUPGRC-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@](=O)[C@H](C)C(C)C)C1 300446783 OKXMSQIGUQTSSI-QHXDDQSASA-N 297.508 4.524 30 10 CJEE CC(C)(CNc1ccc(Cl)cc1C#N)C1=CCCC1 309740797 VUYCAJBDYJGDRM-UHFFFAOYSA-N 274.795 4.760 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cc(C)ns1 312565013 QPVITVGIJKZRAZ-OAHLLOKOSA-N 297.512 4.877 30 10 CJEE N#Cc1ccc(N[C@H]2CCCC23CCCCC3)c(F)c1 312995650 DQLWJTOYNRHTNU-INIZCTEOSA-N 272.367 4.612 30 10 CJEE CC1(C)CCC(C=O)(Cc2csc(Cl)c2)CC1 317916677 SBQOXLVFPVKNHW-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1Cl)C1CCC1 322454761 JFKJTZKGKGWTTC-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C[C@@H]1CCC[C@H]([C@]2(C#N)CCCc3ccccc32)C1 381885706 ZDTRASBEZYVOCK-UWWQBHOKSA-N 253.389 4.611 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnc(OC)s1 382245254 ZBKMFMUGSOEVDP-CYBMUJFWSA-N 285.453 4.716 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc2ccc(F)cc2s1 383514357 GAQLQZPJRFTEPJ-CQSZACIVSA-N 289.419 4.741 30 10 CJEE CC1(C/N=C2/N[C@H](C3CCCCC3)CS2)CCCCC1 386100386 HXWXPSLORSRXLQ-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 402563408 KQHXZLLIVXLPEA-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE Cc1cccc(C(C)C)c1NCCCC(C)(C)C#N 531902765 AGJUYYJJPXICIB-UHFFFAOYSA-N 258.409 4.860 30 10 CJEE C#CCCCCC[C@@H](CSC1CCCC1)NCCC 686681296 NZVHYCOPVUFFNL-INIZCTEOSA-N 281.509 4.614 30 10 CJEE C=CCC1(Nc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCC1 690714951 VILXYEUOKFQCLU-UHFFFAOYSA-N 298.745 4.688 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(OC)c1C 691155181 XRUNIZXGTWDELJ-INIZCTEOSA-N 263.425 4.754 30 10 CJEE CCCCCCCCCCN[C@H]1CO[C@@H](C(C)C)C1 691317883 NVVGLAQMVFDXGP-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CC(C)CC[C@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698814376 HLRUSIXXLCFDNJ-QGZVFWFLSA-N 296.455 4.598 30 10 CJEE CCCCCCC[C@H](NCCC)c1c(F)cncc1F 699005186 NUPCHXSFUUMWKS-HNNXBMFYSA-N 284.394 4.761 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@]1(C)OC 703737818 FIKLAKPLGLKVFV-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccsn1 705354634 ZPWPHEHJZVJFFW-ZDUSSCGKSA-N 254.443 4.674 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)c1ccco1 707154419 HGHOYQGFBCOJCJ-AWEZNQCLSA-N 283.481 4.789 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(F)c2ccccc12 715749791 PRQORPQWHDDFDQ-FZKQIMNGSA-N 271.379 4.842 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)C[C@@H](C)CO1 718400398 IMSCRBRIXBZUIW-SJLPKXTDSA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(F)ccc2Cl)CC1 724551378 CIAQRGLMWIQYBJ-OAHLLOKOSA-N 268.759 4.649 30 10 CJEE C=C1CCC(CCC[C@H](NCCC)C(C)C)CC1 724590694 VYDGNYDGGRADRW-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE CCc1cc2cc(CC#N)c(C(F)(F)F)cc2s1 725302321 FNFCQKKZPHKMOB-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2cccc(C)c2Cl)c1 1134626274 ACADGFFUPPZRDK-UHFFFAOYSA-N 299.801 4.863 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCCCCC)CCCCC1 1136022442 FBESQEONIYVUPQ-MRXNPFEDSA-N 279.468 4.988 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 1183727356 HPKCDINPGFZTNZ-PMACEKPBSA-N 283.459 4.833 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCO[C@@H](C(C)C)C1 1205882162 JJSNDZUCSFTYJW-OKZBNKHCSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCCCCO[C@H]1C[C@@H]2CC[C@H](C1)N2 1217824261 ADGVKANAUYPQGU-BCDXTJNWSA-N 279.468 4.593 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](C)C1 1258230878 DCOFBYXQZSSDRI-YESZJQIVSA-N 269.473 4.673 30 10 CJEE C=CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C)c1 1307140247 MNXSWGAEYOTHSU-MRXNPFEDSA-N 296.370 4.503 30 10 CJEE C=CC[C@H]1CC[C@H](NCC(C)(C)Cc2ccccc2)C1 1308269064 UJCJPYMJOMUVTP-WMZOPIPTSA-N 271.448 4.590 30 10 CJEE C=CCN(Cc1cccs1)C(=O)CC1(C)CCCCC1 1350539182 POSUOQVQNZFNSV-UHFFFAOYSA-N 291.460 4.623 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H]2CCCC[C@@H]2CC)C(C)C)c1 1352614054 UCMVGPCAMSNTBB-HKUYNNGSSA-N 297.442 4.626 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@@H](C)c1ccco1)c1ccccc1 1357219712 MCMUVJVRPSZKCU-NVXWUHKLSA-N 297.398 4.597 30 10 CJEE C=C[C@H](CC(=O)N(C)c1ccc(C)c(C)c1)c1ccccc1 1358316654 JJICJTURSFPWGB-QGZVFWFLSA-N 293.410 4.626 30 10 CJEE C=C[C@@H](C)NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 1435539853 JFDVLLYIAUTXNB-CYBMUJFWSA-N 297.398 4.548 30 10 CJEE C=CCCCN(CC)C(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 1439896501 YNALQQFYWJVNED-IRXDYDNUSA-N 299.458 4.791 30 10 CJEE C=CCCCCCSc1ncnc2sc(C)cc12 1459050672 IVSIQRYSYFXPFV-UHFFFAOYSA-N 278.446 4.838 30 10 CJEE C=CCC[C@@H](NCCc1cccs1)c1ccccc1 1459848289 HCFPAEQRFHUHER-QGZVFWFLSA-N 271.429 4.588 30 10 CJEE C=CCCC[C@@H](Nc1ncc(Cl)cn1)c1ccccc1 1472865894 MCQMAOQOPYHMJD-OAHLLOKOSA-N 287.794 4.640 30 10 CJEE C=C(CC)CN(C)C1c2ccccc2-c2ccccc21 1473259971 BEJUDTMLAUAASD-UHFFFAOYSA-N 263.384 4.654 30 10 CJEE C=CCCCCN(CCc1cccc(F)c1)C1CCCC1 1473280666 DFLYNFDOMNQQOZ-UHFFFAOYSA-N 289.438 4.969 30 10 CJEE CCCCCCCCN1CC[C@H]1c1ccc(F)cc1 1473628641 XKIREWIMDNEWIF-KRWDZBQOSA-N 263.400 4.933 30 10 CJEE C=C1CCN(CCCc2c(Cl)cccc2Cl)CC1 1474336057 QRZPBNNWWMTGGK-UHFFFAOYSA-N 284.230 4.578 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1ccc(F)cc1Cl 1474543834 FWGGEUYXQTUDLQ-LBPRGKRZSA-N 283.818 4.602 30 10 CJEE C#CCCCCCC(=O)Nc1cc(Cl)c(C)c(Cl)c1 1535872299 ZBTXQSSFPBPQHE-UHFFFAOYSA-N 298.213 4.824 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CC)CC2CCCCC2)C1 1557407005 IHKKKYSBYOPZNS-ROUUACIJSA-N 291.479 4.798 30 10 CJEE C=CCCC[C@H](NC1CC(CF)(CF)C1)c1ccccc1 1560986531 FXKWPTBRISTEOZ-KRWDZBQOSA-N 293.401 4.761 30 10 CJEE C=CCCC1(CNCc2ccc(C(F)F)nc2)CCCC1 1621004031 GPQDSLNUXLTICF-UHFFFAOYSA-N 294.389 4.635 30 10 CJEE C=C(C)CCN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C 1644613620 YJUXSQHKMRZHBC-INIZCTEOSA-N 277.839 4.874 30 10 CJEE C#CCC1(NCc2cc(Cl)cc3ccccc23)CCC1 1648399355 FFEHEDMTFQIDLZ-UHFFFAOYSA-N 283.802 4.529 30 10 CJEE 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30 10 CJEE N#C[C@H](CSCCC1CCC1)C1CCCCC1 2249210520 GBPVNTXKXQGQGG-OAHLLOKOSA-N 251.439 4.630 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1cccc(Cl)c1Cl 2250902197 QPYIHBNHVIEYAM-MNOVXSKESA-N 272.219 4.856 30 10 CJEE CC=C(CC)C(=O)c1sc(C(F)(F)F)cc1C 2252774777 RVGIETJCWOIUQO-UHFFFAOYSA-N 262.296 4.614 30 10 CJEE CCCCCCCCCC1[C@H]2CC[C@H]1CC(N)C2 2257998256 OGSYXTJQDZVSGP-JUVOFCAFSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CCCCC(F)(F)C1 2259199810 VQWIDGVVKSIQTQ-KGLIPLIRSA-N 259.384 4.666 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)[C@H](C)OC 2263719159 YPEKTBANOONPBR-JYJNAYRXSA-N 257.462 4.529 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CC[C@H](C(F)(F)F)C1 2264989843 LPEBEOWXDRHHCT-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CC1(C)CCO[C@@H](CC2(C#N)CCCCCCC2)C1 2265619877 MTDKJNXAVZVMOT-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE CC[C@H]1CCCCC[C@]1(O)CC=CC#CC(C)(C)C 2268735555 NTAJKMCSRBJLSR-WMZOPIPTSA-N 262.437 4.704 30 10 CJEE CCCC(CCC)[C@@H](CC=CC#CC(C)(C)C)NC 2268741597 ILYBBYWKHMNEBD-QGZVFWFLSA-N 263.469 4.787 30 10 CJEE CC(C)(C)C#CC=CCNCc1cc2sccc2s1 2268843031 ZOSUCGNDBCGEQX-UHFFFAOYSA-N 289.469 4.658 30 10 CJEE O=C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCCC12CC2 2270042199 PXKNTYQHLQYMOA-WOSRLPQWSA-N 270.363 4.597 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2CC3(CC(F)C3)C2)C1 2272165548 GJGPIGKNBSODDC-HHPWFTGOSA-N 266.400 4.690 30 10 CJEE C=CCCCCCCN(C)CC1CC2(CC(F)C2)C1 2272204692 GNBAVUMSVUWBDL-UHFFFAOYSA-N 267.432 4.583 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(C)c(Cl)s1 2273969713 DDZRCAFLCBJBRK-AWEZNQCLSA-N 295.879 4.944 30 10 CJEE C=CCCCCCC[C@@](CC)(CCC)OCC(=O)O 2275246098 NIYRPEFVCCWAMQ-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@H](CCCC)OCCC(=O)O 2275943771 IVQAICSCHRHHPZ-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC1(C)C)OCCN 2276124763 MBCFSDDMMFAMMA-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](CCSC)OCCCN 2276786242 ZDXZAOFNORARMA-INIZCTEOSA-N 289.529 4.614 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cscc1C 2277155097 SKJZBURWYDUNBS-INIZCTEOSA-N 283.481 4.824 30 10 CJEE C#CCCCC[C@@H](NC)c1sc(C(F)(F)F)cc1C 2277675219 DSMFHMBFKFWXLW-LLVKDONJSA-N 289.366 4.529 30 10 CJEE C#Cc1ccc2c(ccn2C2C[C@@H](C)C[C@H](C)C2)c1 2277804034 LEMVSFFAXOJGHK-KBPBESRZSA-N 251.373 4.620 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1ccc(C)cn1 2278167329 SMMYRFTUIVVXGA-QGZVFWFLSA-N 262.441 4.705 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)COC(F)F 2278229155 KQHJCVXIIMFPHZ-UONOGXRCSA-N 279.415 4.733 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1ccoc1 2278243882 HXJATBJJUSFSCA-INIZCTEOSA-N 265.441 4.941 30 10 CJEE Cc1cc(N[C@H](C)C2CC3(CCC3)C2)cc(C)c1C#N 2280566483 CAKRZYFMOYZXNJ-CQSZACIVSA-N 268.404 4.556 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@@H]1C 2284100318 GHWUWHKBFVCKRG-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C12CCCC1CCC2 2284154859 FQTSWWUCDSYBBV-TVRKMHQQSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@H]1CN[C@@H](C)C1 2285673925 DZRDBFIMCONYRT-IRXDYDNUSA-N 279.468 4.641 30 10 CJEE CCCCCCCCCCC(=O)[C@H](C#N)c1cnsc1 2286969686 XUWFLJVINCFZCS-OAHLLOKOSA-N 292.448 4.850 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(CC1CC1)NC 2287095778 CZJVJEWKRHPDLS-KRWDZBQOSA-N 294.508 4.528 30 10 CJEE C#CC1(NCCCCC[C@@H]2C[C@@H]2C)CC2(CCCC2)C1 2288208141 NROXNUJHZNFRRM-DLBZAZTESA-N 273.464 4.519 30 10 CJEE CC(C)(C)c1cc(Oc2cccc(Cl)c2C#N)ccn1 2289235315 NBPRZIGYDPUBBW-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(C)cc1Cl 2289851905 KQAIHNZIDBXFBW-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1scc(C)c1C 2290909871 JTGAIEINPRUNGP-CQSZACIVSA-N 298.448 4.868 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]1C)OCC(=O)O 2291305645 SCNNJMZJIKQHJZ-OWCLPIDISA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@](CCC)(OCCC(=O)O)C(C)(C)C 2291474700 LDFLGGVNJOHTLK-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCC#CC[C@H](CCCCCCCC)OCCCN 2292878250 BSTOGKBJGPAXBI-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C(C)C[C@]1(OCCCN)CCC[C@@H](C(C)(C)C)CC1 2293052455 VVFSDPIWOUIXER-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)C=CCC[C@H]1C 2294452014 GGADHTXYJPEROM-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@H](C(C)(C)C)C1 2294651906 QAAIZBDGFNJREZ-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1C[C@@H](C)C[C@@H]1C 2295523319 XTOVWYKBRYQLQM-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(CCC)NC(C)C 2295710779 JNFIXRZAQSJLNG-DLBZAZTESA-N 298.540 4.996 30 10 CJEE CC#CCCCC(=O)c1cc(F)c(Cl)cc1Cl 2306253688 JIMOTYQTIFSZHK-UHFFFAOYSA-N 273.134 4.509 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(C)=O)cc1C 2313622043 GTNHMJBQRQMTND-UHFFFAOYSA-N 260.402 4.811 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)C1(C)CCCCC1 2313646053 VRIPRGFNMUGYIY-GJZGRUSLSA-N 269.498 4.633 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CCC2(F)F)CC1 2313733205 RPIDSULGAQLGLC-GXTWGEPZSA-N 255.352 4.922 30 10 CJEE C=CCCCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2 2316735938 GOPZPRXDXJZORY-LUKYLMHMSA-N 250.426 4.700 30 10 CJEE C=C(C)C[C@H](CCCCC[C@H]1C[C@H]1C)NCCC 2319287003 QVVOMMNPHYAPCL-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE SCC1(CO[C@H]2CCC3(CCCC3)C2)CCCC1 2320446172 XLHWBQDDVWYFID-AWEZNQCLSA-N 268.466 4.606 30 10 CJEE O=CC1(CCC2(C(F)(F)F)CC2)CCCCCC1 2321548773 XFMFHAUBGFQODF-UHFFFAOYSA-N 262.315 4.649 30 10 CJEE CCCCCCC[C@@](C)(O)CCCOC(C)(C)C 2322019708 ZVUBRCIAQZEITF-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE CCCCCCC[C@](C)(SCC1CCC1)C(=O)O 2327041931 CIDZVWQTEGCPNK-HNNXBMFYSA-N 272.454 4.724 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2327728945 MQSFYVUJMYGNQY-FVCCEPFGSA-N 259.315 4.685 30 10 CJEE CCC(=NOCc1ccccc1)c1ccc(C)cc1C 2330259072 BQHUSDRROLZZCG-UHFFFAOYSA-N 267.372 4.634 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2C2CCCCC2)CCCC12CC2 2332783727 GSCGDNLTMOEDQE-BQFCYCMXSA-N 260.421 4.742 30 10 CJEE CCCCC#CC[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2333166574 LRZMEHDOQKEHGC-WNRNVDISSA-N 262.437 4.538 30 10 CJEE C=CCC(CC=C)N[C@H]1CCCCCCCC1(F)F 2335197641 OPDGZDGWFRAGCQ-HNNXBMFYSA-N 271.395 4.845 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnccc1SC 2336853548 CBTVMNYFYQGRMI-OAHLLOKOSA-N 281.465 4.978 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC1CCC(CCC)CC1 2337065344 GLHMMZDLYAHQSZ-ZGUYJTEBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)Cc1ccc(Cl)cc1 2337093939 KDAXDLVNOBRMJV-YSVLISHTSA-N 277.839 4.605 30 10 CJEE CCCCCCCCC[C@](O)(CC)[C@@H]1CCCCO1 2337303343 GPGJIHDTOIKCSG-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CC1(C)C[C@H]1C#C[C@@H](N)c1ccc(-c2cccs2)s1 2339558305 ZEDKFEWQLVVXKO-VXGBXAGGSA-N 287.453 4.526 30 10 CJEE CC1(C)C[C@@H]1C#C[C@H](O)c1cc(-c2cccs2)cs1 2339629107 MAZHMFIBMBOZGR-STQMWFEESA-N 288.437 4.560 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)[C@H](C)C(C)C)CC1 2340267843 MWIKYRYWIHMPSX-GYXIZQIFSA-N 265.441 4.530 30 10 CJEE C[C@@H]1C[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CO1 2341199080 QRIDLNMKDIBFOW-ABAIWWIYSA-N 298.213 4.635 30 10 CJEE N#CC1(CC[C@@H]2CC[C@H]2C2CC2)C[C@@H]2CC[C@H](C1)S2 2342546113 MKTFNFUSTQSXAL-CLYSKQOPSA-N 275.461 4.771 30 10 CJEE C=CCCC[C@H](CC[C@H]1CC[C@@H]1C1CC1)NCCC 2342551862 QYCILICOCBLQBY-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CC(C)(C#N)CCCCOC[C@H]1CC[C@@H]1C(C)(C)C 2343186131 KAFNNODYBOOZML-CABCVRRESA-N 265.441 4.795 30 10 CJEE CSc1cccc(N[C@@H]2CCC(C)=C(C)C2)c1C#N 2343422155 DBVKJOJOLSXPFX-CYBMUJFWSA-N 272.417 4.581 30 10 CJEE CC1=C(C)C[C@@H](C[C@@]2(C=O)CCCC(F)(F)C2)CC1 2343464017 GHKUCZDZVLEVAB-GJZGRUSLSA-N 270.363 4.908 30 10 CJEE CC1=C(C)C[C@H](CC2(C=O)C[C@@H]3CC[C@H](C2)S3)CC1 2343465717 NSAAVLPABPAOQP-VPSFDDGASA-N 278.461 4.756 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)c(F)cc1F 2344368177 AVDYJUOBZPSOLJ-CVEARBPZSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1nccc(Cl)c1F 2344375743 OEYYNIBRGMCIHX-LSDHHAIUSA-N 284.806 4.517 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc2ccccc2c1C 2344379243 IJTPHLMMNCLMQE-UHFFFAOYSA-N 252.357 4.933 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCC 2344383889 USQWRSNRLHYWSU-TZNCUMHOSA-N 261.453 4.559 30 10 CJEE CC[C@@](C)(CCC=C(C)C)OC[C@]1(CS)CC1(F)F 2351884898 BBNRPYHIGGYXOZ-KBPBESRZSA-N 292.435 4.873 30 10 CJEE Cc1csc(CN(C)C[C@](C)(CS)C(C)(C)C)c1C 2352101310 WHXNWYVZCVWEKL-MRXNPFEDSA-N 299.549 4.779 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccnc(C(C)C)c1 2353590904 HOANDXHNCRZNRV-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccccc1N)C(=O)O 2353861561 HXNOLFBTYBGTGZ-MRXNPFEDSA-N 295.448 4.565 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc2ccccc2c1 2360206847 CDNSITLFAGNKQP-RDTXWAMCSA-N 285.456 4.798 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC2CC2)cc1C 2360370681 GOLQCHJSFDKNDQ-UHFFFAOYSA-N 287.472 4.860 30 10 CJEE N#Cc1ccc(CCCCCCc2ccc(C#N)cc2)cc1 1662370 CDRXLLNWPBZLDA-UHFFFAOYSA-N 288.394 4.776 30 10 CJEE N#CCc1cccc(C(F)(F)F)c1-c1ccc(F)cc1 47205200 RXJHQESJUSXIGO-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CCC[C@H](Nc1nc(C)cc(C)c1C#N)c1cccs1 49545987 LXWXZHHOXUMVBS-AWEZNQCLSA-N 285.416 4.585 30 10 CJEE Cc1cccc(/N=C2/N[C@]3(CCC[C@@H](C)C3)CS2)c1C 53099496 IBKPJLBQQCSUEE-PXAZEXFGSA-N 288.460 4.576 30 10 CJEE Cc1ccc(C[C@@H](C#N)c2c(F)cccc2Cl)cc1 57723239 KODIJQUPVSLBRJ-ZDUSSCGKSA-N 273.738 4.637 30 10 CJEE N#C[C@@H](Cc1c(Cl)cccc1Cl)c1cccc(F)c1 57724629 OMZYKYFXCWTEKO-LLVKDONJSA-N 294.156 4.982 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(OC)c(OC)c1 59090077 ZMWWTBSLKDWNPJ-HNNXBMFYSA-N 293.451 4.542 30 10 CJEE CCCCCCCCO[C@H]1CCCCC[C@@H]1C#N 59187923 HEJVMSAPZZVDLQ-CVEARBPZSA-N 251.414 4.836 30 10 CJEE C[C@H](C#N)[C@H]1CCCCC[C@@H]1c1ccc(N(C)C)cc1 62665691 OFLWFTNDVSBUID-ZTFGCOKTSA-N 270.420 4.576 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)CC1 86901744 WLQZZWHTTHNMHH-HOCLYGCPSA-N 256.393 4.523 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)c2cccc(Cl)c2)CC1 91877741 UHBGERXQVBRTGY-PWZRNIHTSA-N 291.822 4.658 30 10 CJEE C=C(C)[C@@H](NCCC)C(CC)(CC)c1ccccc1 92116762 XZONVDVBYHADFD-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccccc2C2CC2)c1 94527877 YQHPLAWSJYVXKZ-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CCN(Cc1ccccc1)CC1(CS)CCCCCC1 94578916 YTEFAOSFNUYKCA-UHFFFAOYSA-N 291.504 4.779 30 10 CJEE CC(C)(C)[C@H](CS)COc1ccccc1C(F)(F)F 94583238 MVGISGFYOLBDGG-JTQLQIEISA-N 292.366 4.676 30 10 CJEE SCC1(COc2c(Cl)cccc2Cl)CCCC1 94584824 VPJSMYYKLXEKBN-UHFFFAOYSA-N 291.243 4.862 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCCc2sccc21 97220305 MCCNZKSPSKCBPM-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE CCCCCCCC[C@@H](N)CCOc1ccccc1 103946337 OZZXPARQAKMLMV-MRXNPFEDSA-N 263.425 4.533 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(Cl)ccc1OC 107581290 URBNTXNSNDDUMX-NEPJUHHUSA-N 250.769 4.502 30 10 CJEE CCCCCCCO[C@H](CNCC)c1cccc(C)c1 110067803 DSFSNOSXSFNDGK-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCCCCCCCCCN[C@H](C)Cc1ccco1 110164816 PJXFSNZZIGGMRG-MRXNPFEDSA-N 265.441 4.941 30 10 CJEE CCCCCCC[C@@H]1CCc2ccccc2[C@H]1NC 110462162 SHFIZQAVELDPQO-AEFFLSMTSA-N 259.437 4.870 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)CCO 116756183 ZNJBQCCQGRUBBU-QGZVFWFLSA-N 271.489 4.515 30 10 CJEE CCCCCCCCC[C@H](N)C(CC)(CC)N(C)C 118168274 LOCGZRSFCHTYLW-INIZCTEOSA-N 270.505 4.575 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1nccn1C 122407034 ZKCVTPXTGVYYER-INIZCTEOSA-N 279.472 4.731 30 10 CJEE CCCCCCCCCOc1c(F)cc(CN)cc1F 124973998 GSJPGCNSMSRRFB-UHFFFAOYSA-N 285.378 4.553 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCCC[C@@H]2CC)C1 124987710 QDEJNAUQPCKODR-ZJPYXAASSA-N 276.468 4.750 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(C2CCC2)c1 125267369 QUUMCMHIIUTBSJ-SFHVURJKSA-N 274.452 4.819 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1cc2c(s1)CCCC2 129393697 PABOJABPCLVIRV-CYBMUJFWSA-N 296.439 4.866 30 10 CJEE CCCCCCCCC[C@@H](O)c1snnc1C(C)C 135352576 JRJCBZMQLAZGHB-CYBMUJFWSA-N 284.469 4.836 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)C 156233762 GVAJUHANGBGDRX-ARFHVFGLSA-N 251.458 4.639 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)c(F)c1 160505376 FRCDIQYTTUEBKO-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2cnccc12 164335513 VCMQIPHGBWEVTN-GOSISDBHSA-N 270.420 4.985 30 10 CJEE CCCCN(CC)[C@H](C#N)c1ccc(Cl)c(Cl)c1 213006386 WYVSLCIKVIJHRH-CQSZACIVSA-N 285.218 4.680 30 10 CJEE C/C(=N\O)c1ccc2ccccc2c1OCC1CCCC1 215134352 RWZUHDVCQUSGTF-CPNJWEJPSA-N 283.371 4.607 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCCCC[C@@H]1N 226743223 PUKJVSOCBMZQSF-HOTGVXAUSA-N 267.457 4.604 30 10 CJEE CC1CCC(C#N)(Cc2cccc(Cl)c2F)CC1 228392530 AOIZKPJGPZGXJM-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(C)c(C)s1 229752642 ZXWOORWLNUGNDU-CQSZACIVSA-N 251.439 4.762 30 10 CJEE CC[C@H](C)c1ccc(Oc2cc(C#N)cc(C)n2)cc1 232342168 FEMUPKABCFODHW-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE CCCCCCCCC[C@@H](CN)Nc1ccc(C)cc1 232970619 GPIOLHPIBRZXBB-SFHVURJKSA-N 276.468 4.875 30 10 CJEE C=CCCCCCn1ccc2cc(OCC)ccc21 233811309 RMDNBMLLDQAXHA-UHFFFAOYSA-N 257.377 4.786 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2ccc(C(C)(C)C)cc2)CC1 235615288 IQHOLGMJIIGRPN-CQSZACIVSA-N 270.416 4.842 30 10 CJEE Cc1cc(F)c(Nc2cc(Cl)ccc2C#N)cc1F 235914955 RPKDPAIIOUDXBN-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cc(Cl)ccc1Cl 236159832 FLPZDSJTSDUCED-CQSZACIVSA-N 295.144 4.809 30 10 CJEE Cc1cccc(C=Nc2ccc3ccccc3c2)c1O 254591368 DHVULLTYMUNQBP-UHFFFAOYSA-N 261.324 4.604 30 10 CJEE CC(C)CC(F)(F)c1cccc(C(C)(C)C#N)c1 259641420 XACWNJKVLWBLAS-UHFFFAOYSA-N 251.320 4.626 30 10 CJEE CC[C@@H](C)c1ccc(C2(C#N)CC2)cc1Br 260390743 HGBJNMGRCLEFBX-SNVBAGLBSA-N 278.193 4.518 30 10 CJEE CCN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)CC#CC(C)(C)C 312219708 ZNICJNMYFKXRBI-YESZJQIVSA-N 277.496 4.867 30 10 CJEE Cc1cc(CC2(C=O)CCC(C(C)C)CC2)cs1 317435310 IKKVNKWFPHDFIX-UHFFFAOYSA-N 264.434 4.631 30 10 CJEE C[C@@H]1CCN(CCCCC(C)(C)C#N)c2ccccc21 380159778 VPQUPZFWFIYLBY-OAHLLOKOSA-N 270.420 4.720 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@@H]3CCCC[C@H]3O2)C1 380995401 HSOQNJQFQFGLDW-DISONHOPSA-N 275.436 4.834 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1c(F)cccc1Cl 381009464 LALGDBIQENACEG-LLVKDONJSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1cccc2ccccc12 387173266 NILJACKQZDKXJD-MRXNPFEDSA-N 267.416 4.573 30 10 CJEE CCCCCCCOCc1ccsc1CNCCC 393290016 WYCHMYOUPNSOJN-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(OC(F)(F)F)cc1 393744141 KDDWDYQNVJCLSZ-DGCLKSJQSA-N 287.325 4.591 30 10 CJEE Cc1ccc(N[C@H](C#N)CC2CCCCCC2)cc1 394527090 GLHZWVNUNIAFDN-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCCCCCCCCCCCC1(O)CSC1 396441206 FOJRSNJGUOMTQZ-UHFFFAOYSA-N 258.471 4.775 30 10 CJEE CCC(CC)N(CC(C)C)C[C@H](C#N)C1CCCCC1 397350977 YPUAIEGEKQJQRE-KRWDZBQOSA-N 278.484 4.853 30 10 CJEE CCCCCCCCCCCCC(=O)CC1(N)CC1 398049812 VTWNSIZEACQSJV-UHFFFAOYSA-N 267.457 4.748 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(Br)c(C)c1 398126464 SZZKAAORPLGJIF-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 398198469 UVDXPRNIWPLGDI-JKSUJKDBSA-N 271.448 4.961 30 10 CJEE CC[C@H]1CCCC[C@H]1CNc1cc(C#N)ccc1Cl 401431704 YBEJJSHQPSCVGM-KBPBESRZSA-N 276.811 4.840 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1cccc(F)c1 526896410 IDGDVGZEFOKTDG-LJQANCHMSA-N 284.440 4.825 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1CCN(C)C1 690565888 OYOCZTZWVAPUEL-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCNC1C[C@H]2[C@H](C1)C2(F)F 693410963 OLNOKHGOSPGHKS-GJZGRUSLSA-N 273.411 4.760 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)Cc1ccc(C)s1 693845574 CBIVTTKYFUFUEJ-KRWDZBQOSA-N 296.524 4.566 30 10 CJEE CCC[C@H](N[C@H](C)CC(C)(C)C#N)c1cccs1 695812245 RLXFWORUULUPOK-OLZOCXBDSA-N 264.438 4.507 30 10 CJEE CC1(C)CCN(c2ccc(Cl)cc2C#N)CC(C)(C)C1 699699198 WEPBVPNOBBNYKE-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE C=C[C@@](C)(CCCOC1CCCCC1)CNCC(C)C 699801991 WXKQBFOCKVDGTD-SFHVURJKSA-N 281.484 4.554 30 10 CJEE CC[C@@H](C)c1ccccc1OC[C@@H](CS)C1CC1 702032090 JMWHKRDBYODPPI-OCCSQVGLSA-N 264.434 4.535 30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccccc1Cl 709560232 ATQJHQQFIFEDBZ-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE Cc1ccc(C)c(N=C2NC3(CCCCCC3)CS2)c1 713203265 QXWRWYIHNQNVLA-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1cccc(Cl)c1F)NCCC 715719045 JUXSRIGUWMEFRV-IUODEOHRSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)c(Cl)c1 715767743 DOPRVBDRKZOZKU-XJKSGUPXSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 715798952 MMFVYAIRQIJWFR-XHDPSFHLSA-N 286.246 4.726 30 10 CJEE CCCCCCCCCC[C@@H](N)CCOC1CCC1 716991183 CMSNRUHKLMKGFF-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C=CCCC(C)(C)NCc1ccc(F)c(C(F)(F)F)c1 717897202 FIOMUCUVWGDJPV-UHFFFAOYSA-N 289.316 4.679 30 10 CJEE CCCCCCCC[C@]1(CNCC(C)C)C[C@@H](C)CO1 718447877 KSUZSZRVSZQMKV-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@]2(C)CCCS2)CC1 724546309 YGNSVNBCFWSPEZ-IAGOWNOFSA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](CC)CC[C@@H]2CNC)CC1 724620040 ZHMYMXAGMDFPHY-JQHSSLGASA-N 263.469 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC(C)(C)C[C@H]1C 821989102 WJSVKYKTJPPORV-VQHPVUNQSA-N 263.469 4.926 30 10 CJEE Clc1ccc(-c2ccc(C=Nc3nccs3)o2)cc1 1084019605 WPADZLKEMZCTNL-UHFFFAOYSA-N 288.759 4.807 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(Cc2ccccc2)cc1 1125682480 WQVYMZZITAQKPX-INIZCTEOSA-N 294.394 4.785 30 10 CJEE C=C(C)C(C)(C)C(=O)N(C)c1cc(Cl)cc(Cl)c1 1126122309 OBFNJQJGBQLYTO-UHFFFAOYSA-N 286.202 4.559 30 10 CJEE C=C(C)[C@@H](NC(=O)CC[C@@H](C)CC)c1ccc(F)c(F)c1 1128249379 RKEQKICRKBNWHM-YVEFUNNKSA-N 295.373 4.525 30 10 CJEE C=CC[C@H](C(=O)OCc1cc(C)ccc1F)c1ccccc1 1128936015 FQQJUFCRWUSBBQ-KRWDZBQOSA-N 298.357 4.537 30 10 CJEE C#Cc1ccc(C(=O)Nc2ccc(CCC(C)C)cc2)cc1 1136477091 WMFRIEIQIDOSLP-UHFFFAOYSA-N 291.394 4.509 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)CCCCCC)CCCC1 1141299739 ASOXDKRLCHGMKX-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=CC[C@H](C(=O)N1CCCC(CC)(CC)C1)c1ccccc1 1147336022 QAQNYAQKGOIFHM-SFHVURJKSA-N 299.458 4.775 30 10 CJEE Cc1ccccc1SC[C@H](C)COc1ccc(C#N)cc1 1164575386 HSFTWMUBQJWMSD-CQSZACIVSA-N 297.423 4.674 30 10 CJEE C=CCCCCCN1CCC(Cc2ccc(F)cc2)CC1 1167270355 HUSXDCQWMDKQPS-UHFFFAOYSA-N 289.438 4.827 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(C(=O)OC)c(C)cc1C 1180944766 YLUTUZPJUUYAKH-HNNXBMFYSA-N 289.419 4.637 30 10 CJEE C#Cc1ccc(CN[C@@H](C)CC(C)(C)c2ccccc2)cc1 1199896543 NHMMHLZEUCEXHH-KRWDZBQOSA-N 291.438 4.514 30 10 CJEE C=CC[C@@H]1CCN(CCCc2c(Cl)cccc2Cl)C1 1206798668 BOUFCDFBXYKCJF-CYBMUJFWSA-N 298.257 4.824 30 10 CJEE C=C(CC)C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1449606953 LJERCUYGTGWXRC-UHFFFAOYSA-N 287.309 4.537 30 10 CJEE C=CC[C@H](C(=O)NCCCCC(C)(C)C)c1ccccc1 1456193125 QLFMRXYLSDRLEW-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1459324575 HBAUFUGQMDBRSS-RDTXWAMCSA-N 285.431 4.516 30 10 CJEE CC#CCN[C@H](CCCCc1ccccc1)c1ccccc1 1459817801 NSFAEJUXQXPKIB-OAQYLSRUSA-N 291.438 4.754 30 10 CJEE C#CCCN[C@@H](c1cccc(Cl)c1)C1CCCCC1 1459847031 BHHODMGAGGNARQ-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)CC1 1462122928 BUNOIFGDIQRYTB-MRLCAUJQSA-N 276.468 4.653 30 10 CJEE C=CCCCCN(Cc1ccccc1)[C@@H](C)C1CC1 1473106780 ZELWJWAYXILNPE-INIZCTEOSA-N 257.421 4.643 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)c2cccc(C)c2)CCCCC1 1526757129 GIANZWGIMVXWLJ-INIZCTEOSA-N 285.431 4.699 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC(C)(C)c2c(Cl)cccc21 1539473730 ZGTKAOIVRLMBTB-UHFFFAOYSA-N 291.822 4.567 30 10 CJEE C=CCC[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 1559694598 BYMCTEKVJPBJDR-GOSISDBHSA-N 287.353 4.762 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccc(Cl)cc1F)C(C)C 1559738602 CUAMMEWDVAVXCV-XHDPSFHLSA-N 269.791 4.730 30 10 CJEE C=CCN(Cc1ccc(Cl)cc1Cl)C(C)(C)C 1560005721 OCBQIPSVOAXLFM-UHFFFAOYSA-N 272.219 4.780 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC/C=C/c1ccc(F)c(F)c1 1560531167 VXDSLRNFQAPYRR-USVNEQSZSA-N 291.385 4.703 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc(N=S(C)(C)=O)c1 1560982278 SEDSOTXIHBWYPG-CQSZACIVSA-N 294.464 4.593 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 1585402928 MRLFBPOIECCWLH-QGZVFWFLSA-N 299.458 4.631 30 10 CJEE CCOc1ccccc1C#Cc1ccc(C(C)(C)C)cc1 1614825687 KXZUMZWWIWGTFR-UHFFFAOYSA-N 278.395 4.783 30 10 CJEE C#CCCCCCCN[C@H](C)c1cccc(C(F)(F)F)c1 1616833118 XSHIMKMPBCDNCD-CQSZACIVSA-N 297.364 4.940 30 10 CJEE C=C(C)CN(C)Cc1ccc(C2CCCCC2)cc1 1643901436 PRNXZKUPQMCCLW-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C#CCOc1cccc(Cl)c1CNc1cc(C)cc(C)c1 1648857325 SAEZJBGGPSXNQH-UHFFFAOYSA-N 299.801 4.581 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccc(F)c2ccccc12 1654617388 CKYMTHVVUVJBHN-ZDUSSCGKSA-N 257.352 4.596 30 10 CJEE C=CCC[C@H]1CCCN1c1ncnc2ccc(C(C)C)cc12 1655920624 GOHJQDVNXSXOLL-INIZCTEOSA-N 295.430 4.688 30 10 CJEE C#Cc1ccc(NCc2ccc3scnc3c2)c(Cl)c1 1658694644 HFKHNUAUNRAACP-UHFFFAOYSA-N 298.798 4.543 30 10 CJEE C#C[C@H](N[C@@H]1CC=C(c2ccc(Cl)cc2)CC1)C(C)C 1659150089 SULLAYKEYKRXBQ-MSOLQXFVSA-N 287.834 4.523 30 10 CJEE C=CCC1(NCCCSCc2ccccc2)CCCC1 1659446309 QMZGYAQHGFNQIZ-UHFFFAOYSA-N 289.488 4.788 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1cc(F)cc(F)c1 1659641625 FHXIRPDCPJUIMF-IYOUNJFTSA-N 293.401 4.793 30 10 CJEE CCC1CCC(C=O)(CC2CC3(C2)CC32CC2)CC1 1877103976 YBTACCUUFCOUTC-UHFFFAOYSA-N 260.421 4.742 30 10 CJEE CCCCC[C@@](O)(CC)[C@]1(C#N)CCCC12CCC2 1879223085 RQYFQHQCJXRUNI-IRXDYDNUSA-N 263.425 4.572 30 10 CJEE CCCCCCCCN(C)[C@H]1COC(CC)(CC)C1 1883331844 IGPQRUNXRAPNNP-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@H](CCC)CC(C)C 1888676159 VNEDPLLREGQDIQ-MSOLQXFVSA-N 259.437 4.750 30 10 CJEE C=C[C@H](C)C[C@H](N)c1c(Cl)cc(C)cc1Cl 1905165550 LWQHRTJQAZCZRL-UFBFGSQYSA-N 258.192 4.514 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1CC2(CC2)C1 1913590910 VJMXVQGPQKXBEQ-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H]1C[C@@H](OCC)C1(C)C 1919911540 AKXKLWUOAJHFLY-INMHGKMJSA-N 270.457 4.549 30 10 CJEE C=C(COCc1ccccc1)[C@H](CC(C)(C)CC)NCC 1922092651 UQRITLZOUVNSRP-SFHVURJKSA-N 289.463 4.564 30 10 CJEE C=C([C@@H](NCC)c1cccc(OC(C)C)c1)[Si](C)(C)C 1922862370 HSIVPTLPZBNQCJ-QGZVFWFLSA-N 291.511 4.558 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)ccc1Cl 1925516783 UHFALKWBHVYRPG-CJNGLKHVSA-N 265.828 4.901 30 10 CJEE CC(C)[C@H](C#N)COc1cc(Cl)c(Cl)cc1Cl 1925858271 XRLUDVJZFKYKMZ-MRVPVSSYSA-N 292.593 4.821 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@]1(C=O)CCCC1(C)C 1930065580 AYEPHHBKXKQIGM-APWZRJJASA-N 288.431 4.625 30 10 CJEE N#Cc1cccc(CN(Cc2ccccc2)C2CCCC2)c1 1932013893 QFEQRROFXVFBNQ-UHFFFAOYSA-N 290.410 4.503 30 10 CJEE Cc1cc(Br)c(F)c(C(=O)C2=CCCCC2)c1 1941830495 PVSBLBWXTRWXIT-UHFFFAOYSA-N 297.167 4.580 30 10 CJEE C=CCCCCCCNCc1cc(Cl)sc1C 1948777812 TUAQIHUAZWINIE-UHFFFAOYSA-N 271.857 4.936 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC12CCCC2 1954883851 SAZXPPUBBJEENP-SFHVURJKSA-N 269.432 4.645 30 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4.722 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCC12CC2 2339027487 YIMFEQLHZWEBIZ-LISAXSMJSA-N 260.421 4.742 30 10 CJEE C[C@H]1CCC[C@]1(C#N)CC(C)(C)Cc1ccccc1 2339454800 DNWLDCOWBGERBW-MAUKXSAKSA-N 255.405 4.975 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2cccc(C)c2o1 2341925872 FZHGMBDRNAWXSS-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE C=CCCCCCCCNCC[C@@H]1CC[C@H]1C1CC1 2342414005 BRVWKPCCWVLLIR-ROUUACIJSA-N 263.469 4.929 30 10 CJEE c1ccc([C@H](CCCC[C@H]2CO2)C2CCCC2)cc1 2342476192 XDKIINMZATVNFF-ROUUACIJSA-N 258.405 4.920 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cccc(CC)c1 2344338113 WUGAKASTYWEIJU-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccccc1C1(C)CC1 2344343387 DHWPDCSSNJOYIA-IAGOWNOFSA-N 257.421 4.730 30 10 CJEE CCC[C@@H](CC)COc1c(C#N)oc2ccccc12 2353352405 WFLXSPVDDUHZBF-GFCCVEGCSA-N 257.333 4.510 30 10 CJEE CSc1cc(N[C@H]2CCCCC[C@@H]2C)ccc1C#N 2353829720 DLAIFCFZZHPBCA-WFASDCNBSA-N 274.433 4.661 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@@H]1CCCC(C)(C)CC1 2353843156 OGCIXFJHSVDDQS-JKSUJKDBSA-N 285.541 4.869 30 10 CJEE CCCN[C@@](C)(C#N)C[C@@H](C)SC[C@H]1CC[C@H](C)CC1 2360506568 MOYVYLIPHSCOBX-QBPKDAKJSA-N 296.524 4.606 30 10 CJEE COc1ccc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc1 6609168 AKTOQCQZBQGWFW-FOWTUZBSSA-N 292.378 4.525 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccs2)C1 37156228 IHYYTGRWWFVBGC-FRRDWIJNSA-N 265.447 4.949 30 10 CJEE N#C[C@@H](C(=O)c1ccsc1)c1c(Cl)cccc1Cl 37344200 KBXVUJSAMCJQDO-SECBINFHSA-N 296.178 4.545 30 10 CJEE C[C@@H]1CCC[C@H](SCCCC[C@@](C)(C#N)NC2CC2)C1 54695160 JCZWHIXAOMQJHQ-PVAVHDDUSA-N 294.508 4.503 30 10 CJEE CCc1ccccc1OCCC[C@@H](C#N)c1ccc(F)cc1 57685592 HVXCLJVUMVEWMC-KRWDZBQOSA-N 297.373 4.854 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2ccccc2F)c1 57695382 BGRWWJGTJSSYGX-OAHLLOKOSA-N 283.346 4.519 30 10 CJEE N#CCSc1ccc(C(=O)CCC2CCCCC2)cc1 58017619 RGPVQDLECPXXLV-UHFFFAOYSA-N 287.428 4.845 30 10 CJEE CCCCCCCOc1c(CNCC)cccc1OCC 59178901 XYEBTKOVQTZMLE-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC)cc1C 59277388 KLYOQJWLEWTGIS-QGZVFWFLSA-N 263.425 4.625 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC)cc1Cl 59332701 UMRKMGSUWNCCBC-MRXNPFEDSA-N 283.843 4.970 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C1CCCCCC1 59379185 NXZGJLONWMDUNY-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCNc1cccc([N+](=O)[O-])c1C 59456556 HOJOTJIOQUSIOC-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE N#CC[C@H]1CCCC[C@@H]1c1ccccc1Br 62670605 MOKZOXUAFQHQKP-NEPJUHHUSA-N 278.193 4.637 30 10 CJEE COc1c(C)cc(C)cc1-c1cc(CC#N)c(C2CC2)o1 77084041 UMEGASKKJSUVPR-UHFFFAOYSA-N 281.355 4.516 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(Cl)c1F 84415848 LYEDVVMWIWEMNQ-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2cccc(F)c2)CC1 86949170 QDDNZFUOJVWYNE-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87996816 BYZSNRCITSCYPS-IUODEOHRSA-N 281.321 4.968 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2COc3ccccc32)CC1 92307648 NQHUNWODKVJPER-SWKXRBFHSA-N 269.388 4.663 30 10 CJEE CCN(CC1(CS)CCCCCC1)C1CCCCC1 94578173 KMWJXYLWCLSZML-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE SCCCCCOc1ccc(-c2ccccc2)cc1 94582729 PAXAABDKTMXIJZ-UHFFFAOYSA-N 272.413 4.833 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2Cl)cc1F 94956795 CZKJMKGBBYTZMX-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCNCc1ccc(C(F)(F)F)cc1 103465935 KYRVEDCFZSLHNP-UHFFFAOYSA-N 273.342 4.765 30 10 CJEE CCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 104001542 KOVVSIQYSWEXPO-JTQLQIEISA-N 270.298 4.568 30 10 CJEE CCCCCCC[C@H](NCC)c1nc2c(s1)CCC2 104442686 DBGBXGQTJLZFET-AWEZNQCLSA-N 280.481 4.643 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1ccc(Cl)c(Cl)c1 107563263 HBKXLMZCNXAIKP-IGJMFERPSA-N 259.176 4.664 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)c(OCC)cc1OCC 107675960 VNHUBYOOPWITHV-LBPRGKRZSA-N 280.795 4.654 30 10 CJEE CCCCCCCOC1(CNCC)CCC(C)CC1 110067683 UETSZHXBDCFOGT-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccc(C)cc1 110084047 YFELBRJRZWTKMD-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCCCCCCCNCCCOCC 110159065 KMELOVKEJKFREG-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCC[C@H](O)c1cncc2ccccc12 111924629 IGXVYEREVHHIRP-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCN1C[C@@H](C2CCCCC2)NCC1(C)C 114073697 QYHLSJSSTJIOOZ-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(CC)o1 115063105 LWIYZJAMSUUXED-OAHLLOKOSA-N 251.414 4.853 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NCC12CCCC2 115239149 OVOBUFITAVTMSC-ZWKOTPCHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN(C)C1CCC(NCCC)CC1 118259139 KEXTVAHRXREBPX-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCc2ccccc21)NN 121992621 ISCLMGJZWLBKIE-ZWKOTPCHSA-N 288.479 4.689 30 10 CJEE CCCCCCCCNCc1cc(F)ccc1Cl 124164669 BHGPPXLSYDJJGZ-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE CCCc1ccc(Oc2c(F)cc(C#N)cc2F)cc1 127481612 DCBHTYSGZPJEGS-UHFFFAOYSA-N 273.282 4.581 30 10 CJEE CCCCCCCCNc1ccc(C)c(N(C)C)c1 135462419 HEJPJISGZILOPO-UHFFFAOYSA-N 262.441 4.833 30 10 CJEE CSc1cccc(Oc2ccc3c(c2)CCC3)c1C#N 136707718 QFFXBGNMBIRWJR-UHFFFAOYSA-N 281.380 4.561 30 10 CJEE CCCCCCCCCC[C@H](CC[C@@H](C)OC)NC 143435672 FHWGCVBMENYPGP-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](CN)C1CC1 160090264 XJTRZINXKSNBOQ-SFHVURJKSA-N 282.516 4.576 30 10 CJEE N#C[C@H](Nc1ccccc1)c1ccc(F)c(C(F)(F)F)c1 163481594 REUFCUXUNNPWEF-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE CCCCCCCOCc1ccc(C(=O)O)cc1Cl 163760832 QSCSFHDQGNJLTP-UHFFFAOYSA-N 284.783 4.525 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1nccc2ccccc12 164596695 JOELQLCYWGWMFK-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCO[C@]2(CCSC2)C1 169186762 DIPAHJHEVOHQRH-NVXWUHKLSA-N 298.492 4.608 30 10 CJEE N#C[C@@]1(CC2CCCCC2)CCc2ccccc2C1 203554926 IGLOVCUYJQPPAU-GOSISDBHSA-N 253.389 4.656 30 10 CJEE C=CCCCNc1c(Cl)cc(F)cc1Br 232167741 HDJOXNHIRDVKMU-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE CCCCCCCCCCN[C@@H]1CCS[C@H]1C 232911907 UJELBLCZXQBJTO-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCC[C@@H](CC)CNc1cccc(Cl)c1C#N 233059341 SODVPZHXPRQVED-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Cl)cc1C 233122894 GQROTDSOCOUPBT-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](N)CSc1ccccc1Cl 236314784 ZQNYSKVEQADTLI-CYBMUJFWSA-N 283.868 4.896 30 10 CJEE O=C(CCCc1ccccc1)C1=CCCCCCC1 236387216 NZQXBCTVCOXVTR-UHFFFAOYSA-N 256.389 4.859 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCC)C[C@H]1C 250835475 UPZCTGXKIKOJCV-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253044353 OBPIWDCRZWQUDH-XDNAFOTISA-N 263.469 4.927 30 10 CJEE Cc1cccc(N=Cc2ccc(C#Cc3ccccc3)cc2)n1 254699569 HSEYSMNZXOPTOW-UHFFFAOYSA-N 296.373 4.540 30 10 CJEE Cc1cn(C(C)C)c2cc(CC(C)(C)C#N)ccc12 260340289 ODOBQUNEDXTLDM-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC1(C)OB([C@@H]2C[C@H]2c2ccc3ccccc3c2)OC1(C)C 306668601 KPKFNIFXDSETAW-DLBZAZTESA-N 294.203 4.790 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)CC1 307922906 IIORHJAYMSSNNP-UKRRQHHQSA-N 274.383 4.858 30 10 CJEE C=CCCCCCCNc1cccc(Br)c1N 310524338 WAOQMMSISQJZGR-UHFFFAOYSA-N 297.240 4.580 30 10 CJEE CCCCCCCCCCCCNCC[C@@H](C)OC 311616837 GUIUGNRBZSEKBQ-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1cc(C)ns1 312565012 QPVITVGIJKZRAZ-HNNXBMFYSA-N 297.512 4.877 30 10 CJEE CCCCCCCCC[C@@H](C#Cc1ccccc1)NC 315008927 VRUCHHWMAMGLNJ-IBGZPJMESA-N 271.448 4.767 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCCCO1 315263393 YNZDYZFVRYYYSM-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2csc(Cl)c2)C1 316855948 OMSSCDCDDQGIBH-SMDDNHRTSA-N 270.825 4.730 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(C)c(C)c2)C1 316931421 YHHQMYAUMLAYQP-SJLPKXTDSA-N 258.405 4.631 30 10 CJEE CC#CCC1(CNC(C)(C)C)CCC(C(C)C)CC1 317961185 JTPAWVYJNGKHPL-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE C=C(C)C[C@]1(CNCC(C)C)CCC[C@@H](CC)C1 318671990 ZKDFGJMKKJGKNV-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 319847359 MWKUPZKTAMNLKC-ZWNOBZJWSA-N 298.249 4.725 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)CSc1ccc(C)cc1 379913077 WKMDCRXRBFENPK-MRXNPFEDSA-N 289.488 4.505 30 10 CJEE C=CC[C@@H](NCCC)c1cccc(Cl)c1C(F)(F)F 380849971 BNQZWKJTJVXNNZ-GFCCVEGCSA-N 291.744 4.976 30 10 CJEE CCCCCCC[C@]1(C)CC[C@@](C)(CNC(C)C)O1 388452775 AUMWMWXSXXJOIR-SJORKVTESA-N 269.473 4.673 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H](OC)c2ccccc2)C1 393380167 VDLVIKFFPKNQNY-KBAYOESNSA-N 271.404 4.874 30 10 CJEE CC1([C@H](C#N)Nc2ccccc2Cl)CCCCC1 394743035 XTNCOBYUWHPNTM-AWEZNQCLSA-N 262.784 4.614 30 10 CJEE Cc1cc(C)nc(SC[C@H](C#N)C2CCCCC2)c1 397121142 ICTLYRNICXCJKM-HNNXBMFYSA-N 274.433 4.511 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)[C@H]1CC1(C)C 397820340 KPLMIPDSGFCPLI-HUUCEWRRSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCCCNCc1ncoc1C 397970123 ZPRLBBCGMKEOHQ-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE N#CCc1ccc(CNc2c(Cl)cccc2Cl)cc1 399113465 LQTMKQCPJQJHFP-UHFFFAOYSA-N 291.181 4.672 30 10 CJEE CCCCCCC[C@H](C)NCC=C(Cl)Cl 407164265 RZQBFECDZLFQFH-NSHDSACASA-N 252.229 4.644 30 10 CJEE CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 512633649 AJVDQBYZEMDSHQ-LIRRHRJNSA-N 296.389 4.808 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1(C2CC2)CC1 530447168 DZHYRXIJZMSUMG-UHFFFAOYSA-N 298.430 4.603 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@@H]1CC(C)(C)C)c1ccccc1 535339688 GNBKXNCBAVHAMM-FUHWJXTLSA-N 299.458 4.774 30 10 CJEE C=CCC[C@@H](NCc1cc(OC)ccc1F)c1ccccc1 559282182 IJOFPNDVTVBBFI-LJQANCHMSA-N 299.389 4.631 30 10 CJEE C#CCCCCCSc1nccc2ccccc12 686686936 UIIAYGRWRQHFCE-UHFFFAOYSA-N 255.386 4.521 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(SC)c1 686948997 PFZZDBPCIJIOCK-NVXWUHKLSA-N 275.461 4.633 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2sccc21 692188785 BATXWUBYPYUAJP-FVQBIDKESA-N 275.461 4.850 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(F)cccc1Cl 692206880 YRMSEBSPXGFMCZ-LRDDRELGSA-N 281.802 4.704 30 10 CJEE CCC(C)(C)CC[C@@]1(C=O)CCc2ccccc2C1 696799620 MDPRYXLZRCCPCD-SFHVURJKSA-N 258.405 4.577 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@@H]3CC)C[C@@H](C1)C2 697305140 SWXHRDAHFKCZCB-VTEPJNGRSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CC12CC2 698154268 RDPPOBAYDFSWRL-CVEARBPZSA-N 251.458 4.905 30 10 CJEE Cc1ccc(CNc2cc(C)c(Cl)c(C)c2)cc1C#N 701871183 CKCFRTXBZUDHCT-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE C=CC(C)(C)CCNCc1ccc(OCCCC)cc1 701920307 PFKASJRHCGHASH-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(COC)cs1 702042284 CVCSVUDQHRMUAS-HNNXBMFYSA-N 283.481 4.906 30 10 CJEE C=CCCCCCCNCc1c(F)ccc(F)c1Cl 705549565 VKGDKUCPDXSIFU-UHFFFAOYSA-N 287.781 4.844 30 10 CJEE CCCCCCCCCC[C@](C)(N)[C@H]1CCCCO1 705952606 VJMILIPSJPEUMW-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCN(CCC)CC(C)(C)O 707901672 MEBVDPZLWBLWCC-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE Cc1cc(C#N)cc(C)c1OC[C@@H](C)CC(C)(C)C 709232584 DETFKQYVVFZLEJ-LBPRGKRZSA-N 259.393 4.626 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1 710681846 OPFBEZWLAYAFTG-UKRRQHHQSA-N 257.849 4.714 30 10 CJEE CC[C@@H](CC(=O)[C@@H](C#N)c1ccccc1C)C(C)(C)C 711148117 QASXRUDRTSOYLG-HOCLYGCPSA-N 271.404 4.634 30 10 CJEE C[C@@H](CC1CCCC1)n1c(=S)[nH]c2c(C#N)cccc21 712520769 GDTPPWCLOPZYKV-NSHDSACASA-N 285.416 4.712 30 10 CJEE CC1(C)CCCC[C@H]1/N=C1/NC2(CCCCCC2)CS1 713213053 FFUVDGFTNJHVTP-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CC(C)[C@@H](/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713260993 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1193563246 KRIQEFUPLGMODK-KRWDZBQOSA-N 275.436 4.679 30 10 CJEE C=CCCC1(CN[C@H]2C[C@H](OC(C)C)C2(C)C)CCCC1 1206656408 LNXSWPNGNFNRCA-IRXDYDNUSA-N 293.495 4.695 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2(CC)CCCCC2)c1 1210299481 LIHIWRAMFQGYEE-UHFFFAOYSA-N 286.419 4.954 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 1210299656 RWGNXYDUGXWVTG-KBPBESRZSA-N 286.419 4.666 30 10 CJEE C=CCN(C(=O)/C(C)=C/c1cccc(Cl)c1)C(C)(C)C 1279620259 HBTWQMZKLROZMS-ACCUITESSA-N 291.822 4.556 30 10 CJEE C=CCC[C@H](CC)N[C@H](Cc1ccccc1)c1ccccn1 1308969203 VOGKUENERJOXIK-AZUAARDMSA-N 294.442 4.700 30 10 CJEE C=CCCC[C@@H](NCc1ncoc1C(C)C)c1ccccc1 1336857810 KXBKCPIRFUXZRL-QGZVFWFLSA-N 298.430 4.985 30 10 CJEE C=C(C)CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 1358377418 RAMFLNFBGMQCIV-INIZCTEOSA-N 293.410 4.887 30 10 CJEE C#CCCCCCC(=O)O[C@H](C)c1cccc(Cl)c1F 1435793567 ZAFFLPMSYGCCKK-GFCCVEGCSA-N 296.769 4.667 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 1436654794 FJZBNRQJLWLLPU-RTBURBONSA-N 297.442 4.550 30 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CCCCCCC[C@H](NCCC)C1(O)CCC=CCC1 2285706735 LBZWEIIVNSEGHG-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCC[C@H](NN)C1CCC(CCCC)CC1 2287374190 CIDNRZBHJDYHFF-ABHNRTSZSA-N 280.500 4.951 30 10 CJEE C=C(C)CCCC[C@H](CC1(OC)CCCC1)NCCC 2287471267 ZNMLBKRTUQIQBR-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C#CC1(NC[C@@H](C)C2CCCCC2)CC2(CCCC2)C1 2288190336 CDYFEQHLQSDIRF-MRXNPFEDSA-N 273.464 4.519 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C[C@H]1CCCCC12CC2 2289671951 LTXCUCQSGZXQKL-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1ccccc1Cl 2289697399 GZMVCZFBQKUBLA-SFHVURJKSA-N 289.850 4.964 30 10 CJEE CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)CC#CC1CCCC1 2289873748 GJYYKHRSCHPVAH-BPQIPLTHSA-N 275.480 4.621 30 10 CJEE CC(C)[C@@H]1SC(=NCC2CC(CC(C)(C)C)C2)N[C@H]1C 2290035672 ZHNIABDTVLQOOD-PPWQZUPISA-N 296.524 4.554 30 10 CJEE CC1CCC(C#N)([C@]2(O)CC(C)(C)CCC2(C)C)CC1 2290268854 PSHOQGLNGOCCPV-UYJHFMRCSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@]1(OCC(=O)O)CCC[C@H](CCC)CC1 2290649327 WCRPRDUEJWLDOQ-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@](CCC)(OCC(=O)O)C(C)(C)C 2291697413 FVHKDCHHKWQNEC-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CC[C@](C)(OCCCN)C1CCC(C(C)(C)C)CC1 2293066147 YKADLFOMEBIYEA-HTWSVDAQSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@](C)(OCCCN)C(C)(F)F 2293458490 HNEDRIUCCBWDKK-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE CC(C)CCN(Cc1ccc(C#N)cc1Cl)CC(C)C 2294748431 GURMRYJDZLKGRQ-UHFFFAOYSA-N 292.854 4.716 30 10 CJEE CCCCCCCCC[C@@H](C)N(CCC(=O)O)C(C)C 2295531153 IPTNCUMPFXQMAA-MRXNPFEDSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@H]1C[C@H](F)C1 2295601161 LISGHNCNCMMBML-BFYDXBDKSA-N 286.431 4.585 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1csnc1OC 2295671604 RZPAUDONXLSYCH-CQSZACIVSA-N 298.496 4.771 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1nocc1CC 2295675447 BKDAEAGCZUZUJM-OAHLLOKOSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(O)CCC[C@@H]1C 2295679368 OOIHETRWSZVLHQ-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE O=C(C=Cc1ccccc1)c1ccc(F)cc1C(F)(F)F 2297630818 JYQPXSQOXMTVEM-UHFFFAOYSA-N 294.247 4.741 30 10 CJEE C=CCCCCCCOc1cc(N)ccc1Br 2303971223 AGGRHSBBSHXCPZ-UHFFFAOYSA-N 298.224 4.547 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccsc1C(F)(F)F 2316708547 CQLQHLNXYONSPQ-LLVKDONJSA-N 276.323 4.569 30 10 CJEE CCCCCCCCCN1CC[C@H](SC(F)F)C1 2317811829 NRAZWPAWJSDENQ-ZDUSSCGKSA-N 279.440 4.767 30 10 CJEE CCC[C@](C)(C=O)Cc1cc(Cl)c(OC)c(Cl)c1 2317890273 HIARENCRDGDWRN-AWEZNQCLSA-N 289.202 4.550 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CCC[C@@H]2CN1 2319331441 JQEOQTOASPNSPN-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C)cc1SC 2319574991 UBMICDMOCLTIOZ-OAHLLOKOSA-N 263.450 4.724 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1CCCCCC1 2321102292 PSJKQGYHKORMGE-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC(C)(C)C1)NCCC 2321104650 HUKPZSWIVPRSFW-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)O[C@H](C)CCC=C(C)C 2321134606 PJOJPCVJXUQCKQ-ZBFHGGJFSA-N 252.398 4.657 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccccc2Cl)c1 2323092647 XWLAMMMRMPJOQR-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE CSC1(C#CC(=O)C2(C)CCCCCCC2)CCC1 2336283082 LZUBQFMJVGLXDV-UHFFFAOYSA-N 278.461 4.595 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CCC(CC)CC 2338127639 CQSHFPVKAOTCHQ-SJORKVTESA-N 271.489 4.642 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc(F)c(F)cc1Cl 2338730809 UMNIGVVDIBNRQI-HNNXBMFYSA-N 285.765 4.647 30 10 CJEE C=CCC(CC=C)[C@](N)(CC)C1CCC(F)(F)CC1 2338733855 WKZZAAGRSHEPAA-MRXNPFEDSA-N 271.395 4.688 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@]1(C)CCCC1(F)F 2338748049 WHPDDMQBQCDREJ-CABCVRRESA-N 271.395 4.558 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1COCC1(C)C 2339082246 KVUSDYNFAXEJGI-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CC1(C=O)CCC2(CC1)CC2 2343335205 RFXLTTFZBJHJHB-LSDHHAIUSA-N 262.437 4.988 30 10 CJEE CO[C@H](CSCC1(CS)CCCC1)c1ccccc1 2343478397 FZTCNGVHDACYLE-OAHLLOKOSA-N 296.501 4.598 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)C1CC(C2CC2)C1 2344336489 JNYYKIRIBNBZRV-FOIPXRHGSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H]1C[C@H]1C1CC1)NCCC 2344345318 MPFRBMUXJIQMGY-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C1CC1)C1CC1)NCCC 2344345841 OTWGHJBBWMNHKP-QGZVFWFLSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(OC)c1Cl 2344348455 KTKQTTKUJLLNMB-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cnc(C2CC2)s1 2344371238 ISZDWUNNMDOABH-GDBMZVCRSA-N 278.465 4.664 30 10 CJEE C=CCCCCCCCCN1CC[C@H]2C[C@]1(C=C)C2 2351688881 CDJHJCOINDCKDG-HDICACEKSA-N 261.453 4.944 30 10 CJEE C=C[C@@H](C)C[C@@H](N)CC1CCC(CC(F)(F)F)CC1 2353167673 ZYMFHFNQJCHONE-BLYZHGLHSA-N 277.374 4.675 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@@H]2CC[C@H]1O2)NCCC 2355020027 MLVAUIYOYBAXJB-XLAORIBOSA-N 281.484 4.673 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 2357278293 UJUFJSUXSBIZOJ-RVSVCOFUSA-N 285.456 4.811 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](O)[C@@H]1C[C@H]1CC 2357641234 BUXIIEFOJHKBFX-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]1CO2)NC 2359077240 PBPDGZSWRDPPNV-XLAORIBOSA-N 281.484 4.530 30 10 CJEE 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CC[C@H]1CCC[C@@](C#N)(Cc2cccc([N+](=O)[O-])c2C)C1 87972385 VTSAUQPBEPMOMI-YOEHRIQHSA-N 286.375 4.556 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cccc(Br)c2)C1 87996856 SPQDDRGALBOVCU-IUODEOHRSA-N 292.220 4.712 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 88301529 ARCMIMLELMNDID-GHMZBOCLSA-N 284.325 4.814 30 10 CJEE Cc1ccc(Cl)c(OC[C@@H](CS)c2ccccc2)c1 94584417 KCQHQNJCDZOGGZ-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE N#CC[C@H](Sc1cccc(F)c1)c1ccccc1 94623174 AICDXARBPOLMAF-HNNXBMFYSA-N 257.333 4.573 30 10 CJEE CCCCCC(C)(C)CNc1ccc(F)cc1C#N 94989159 GOVYBNMVBXJJGG-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CCCCCCCOc1cccc(CNCCCC)c1 100047705 BHXXNJSNPDZOKH-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCC#CC[C@@H](C)c1c(C)c(Cl)cc(C)c1OC 107648880 RJPNPUZIVVFFBY-LLVKDONJSA-N 264.796 4.872 30 10 CJEE CN(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1C#N 110254856 LWPRECBLOSTGCP-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(F)ccc1OC 115856447 QVTBWXKUTJTOSB-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE 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CCCCCCCCCCCCN1CC[C@@H](N)[C@@H](CC)C1 226034753 FUUYAHHQVOWWBL-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](CN)CC(C)C 226435935 IMEFTFTXDHXYMI-INIZCTEOSA-N 269.473 4.707 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)c(Cl)c1 232192912 CXXUOYHUNIYJPR-SECBINFHSA-N 288.616 4.869 30 10 CJEE C=CCCCCCC(=O)c1sccc1Br 232458618 MICXYHDHDYSAEI-UHFFFAOYSA-N 287.222 4.830 30 10 CJEE CCCCCC(C)(C)CNCCCCC(C)(C)C#N 232913755 HUCXRBCNEGMDFM-UHFFFAOYSA-N 266.473 4.903 30 10 CJEE C=CCCCCCOc1ccc(C)cc1CNCCC 233113495 ONVUEQZLDYYXRV-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCC[C@H](NC)c1cc2ccccc2o1 234446774 LHDABMCNCAGJBP-HNNXBMFYSA-N 257.377 4.830 30 10 CJEE CCCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1CC 250813509 IIRVZMJKEGOWBI-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NC 250823202 MGROHZFJMRINCC-GVDBMIGSSA-N 283.500 4.776 30 10 CJEE CC(C)(C)[C@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251149586 KYBJGZSWCNJYLO-XJIUQZFPSA-N 284.509 4.810 30 10 CJEE CCCCCCC[C@H](NN)[C@H]1CCCC[C@H]1C(F)(F)F 253000376 JFCBSUDIDQTLOD-MJBXVCDLSA-N 294.405 4.548 30 10 CJEE N#CC1(c2ccccc2CC(F)(F)F)CCCCC1 260425533 XZDJCXVLWQWAAT-UHFFFAOYSA-N 267.294 4.517 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(C)cs1 379246143 YWLZTHCSPNYYCS-AWEZNQCLSA-N 268.470 4.702 30 10 CJEE CCCc1ccc([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 381094428 XSPUGUSYRRMGQC-HZPDHXFCSA-N 286.224 4.589 30 10 CJEE C=CCCCCCCN[C@H]1CCC[C@H](C(C)C)C1 384960325 IDAFOGXVXKVPOM-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@@]1(C#N)CCCC[C@H]1C 384996131 LISJSUDUUGLTMZ-MEBBXXQBSA-N 292.766 4.528 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc2sccc2c1 386439588 ONXAKHWWVFDDLG-INIZCTEOSA-N 285.456 4.992 30 10 CJEE C[C@@H]1CCC[C@H](CC2(C#N)Cc3ccccc3C2)C1 389018213 YLJCQQRRIVQXNB-CABCVRRESA-N 253.389 4.512 30 10 CJEE N#CCc1ccc2cc(Cl)sc2c1C(F)F 396186998 HREWLNOOLNIOKY-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC/C(=C\B1OC(C)(C)C(C)(C)O1)C1CCCC1 396649003 JGLJYVGRWHYJTD-WYMLVPIESA-N 264.218 4.535 30 10 CJEE C[C@H]([C@@H]1CC1(C)C)N(C)CC1(CS)CCCCCC1 397867488 WOZDCJVAOFHYFV-CABCVRRESA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCCC1(F)F 397979840 LYLFMGJNGJITLQ-UONOGXRCSA-N 261.400 4.903 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 398072207 JQDLNVZPOJVRSK-SECBINFHSA-N 286.734 4.544 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1CCOC1)NCCC 400963102 NKCVCVCFJLCBLC-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCC[C@@H]1C(=O)CO[C@H]1C 405749610 BUFPRGAILJZOFR-HOTGVXAUSA-N 268.441 4.901 30 10 CJEE C#CCCCCCC(=O)Cc1c(Cl)cccc1Cl 686691498 LMBUTVORVCWVSK-UHFFFAOYSA-N 283.198 4.689 30 10 CJEE Cc1cccc(N=C2NC3(CCCCC3)CCS2)c1F 687323693 LCZBPLZWODPKBP-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]1(C)CCOC1 687393472 PMRWSDDUKJZBDU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12CCC[C@H]1OCC2 687405333 JDAABXBGBKILKZ-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE C[C@H]1CCC[C@@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688340753 ZYAWONCMINZEJO-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2cccc(C3CCC3)c2)N1 690151783 YYHKUNDNAFHMFH-KRWDZBQOSA-N 288.460 4.693 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C#N)CCc2ccccc21 691063003 PFIJTBRKJQBCPO-INIZCTEOSA-N 277.358 4.856 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@@H]2C[C@H]21 691686258 WSBGZVIIPZOCPQ-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@@H](OC)C12CCC2 707491295 BPWIZEZAWSSAGK-AEFFLSMTSA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCC[C@@H]1N 708062640 GKNABHZINZQGJH-ROUUACIJSA-N 282.516 4.719 30 10 CJEE C=C(Cl)C[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 710592687 SJQSDDFAYZADSC-YYUOFMGYSA-N 281.871 4.714 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCCC2)CS1)[C@@H]1CC1(C)C 713187652 LKNDZFGMNMEHOC-KBPBESRZSA-N 294.508 4.597 30 10 CJEE C=C(C)CC[C@H](C[C@H]1CCCC1(F)F)NCCC 713949095 DFYIGLUYEWKSQP-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C(F)(F)F)cc1 715813869 MBSQQKWSCALLDG-SMDDNHRTSA-N 271.326 4.568 30 10 CJEE CSc1cccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c1C#N 717431135 ITCQSDKEOIELCN-WFASDCNBSA-N 288.460 4.907 30 10 CJEE C=CCCC(C)(C)Nc1nc(C(C)C)nc(Cl)c1C 717608033 ILVSYNCHQPCQMQ-UHFFFAOYSA-N 281.831 4.719 30 10 CJEE C[C@H](COCc1ccccc1)CC(=O)C=C1CCCCC1 719184866 ZLTPGCCIKQEXEU-INIZCTEOSA-N 286.415 4.689 30 10 CJEE CCCCCCC[C@H](C)NCc1nc(C)c(C)s1 719531467 UGGWVDTXPZWCAG-LBPRGKRZSA-N 268.470 4.599 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(F)ccc2C)CC1 724583837 YJCQIBQSEHCZPV-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CCC(C)CC2)CC1 724589787 SCOBGPFFQCOOHA-VJFUWPCTSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@H](N[C@H](C)c1ccncc1)c1ccccc1 883327204 UCPFTLNSVVWQDY-APWZRJJASA-N 280.415 4.830 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 1124738236 CZULDTAAZVKNNL-MRXNPFEDSA-N 279.811 4.510 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1126324697 CISGGZQNAZIWSM-FGTMMUONSA-N 291.479 4.798 30 10 CJEE C#Cc1cccc(NCc2ccc(Cl)c(C)c2Cl)c1 1178311024 UPZKFPBOGYGNTP-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCC1(CN[C@H]2CCC[C@H](C(C)C)C2)CCCC1 1178709711 KDWPXLFUDFPQBQ-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](C)NCC1(c2ccc(C)c(C)c2)CCC1 1181323441 KBTLGLKACFWZQQ-KRWDZBQOSA-N 271.448 4.669 30 10 CJEE C=CCCC1(CN[C@@H](C)CCc2cccnc2)CCCC1 1182865554 ZKFXMDSBKQGGRS-KRWDZBQOSA-N 286.463 4.519 30 10 CJEE C=CCC[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 1192719238 KMBIMYOXIRKARP-LJQANCHMSA-N 295.426 4.801 30 10 CJEE C=CCCCCCCCNCc1ccc2c(c1)CCC2 1202667542 RHPPQNWKPJWMHM-UHFFFAOYSA-N 271.448 4.792 30 10 CJEE C=CCC[C@H](C)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1205426358 KKEDFRCJPYKYOK-JYJNAYRXSA-N 251.458 4.926 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 1207075754 IGBPFIFZOCFKEG-RBUKOAKNSA-N 285.475 4.980 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1nccs1 1258229934 QRCDJYHOGYMSFH-CQSZACIVSA-N 268.470 4.762 30 10 CJEE C=CC(C)(C)CC(=O)NCC1(c2ccccc2)CCCCC1 1264315787 JUXRVULMXXAMBK-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCCC[C@H](C(=O)N(C)[C@H](C)CCC)c1ccccc1 1264521685 HULNTPULYKOIGT-AEFFLSMTSA-N 287.447 4.774 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)C1CCCCCC1)c1ccccc1 1268837411 RSDFCRFRHNXNSN-IAGOWNOFSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(Cl)c1Cl 1350085414 LMXGJQVMAHFQMS-SECBINFHSA-N 272.175 4.534 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1Oc1ccccc1 1354728986 AOVRSMVHLMWQJA-UHFFFAOYSA-N 281.355 4.774 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(C)C)c1 1358273873 ICWNYALOEPGAPS-JKSUJKDBSA-N 299.458 4.728 30 10 CJEE C=CCCCN(CC)C/C=C/c1ccc(Cl)cc1 1460899993 MGSUSKOLYCSZPE-BQYQJAHWSA-N 263.812 4.641 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(Cl)nc1 1462020853 KYTAENBXPAZADT-GFCCVEGCSA-N 252.789 4.672 30 10 CJEE C#Cc1cccc(NC[C@@H](C)c2cccc(Cl)c2)c1 1462052344 NJJBOKGDESNWQO-CYBMUJFWSA-N 269.775 4.537 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H]1CCC(C)C 1462278225 OJMDGXJZGNBROQ-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=C1CCC(CNC2CCC(c3ccc(O)cc3)CC2)CC1 1474702127 OUWHMPRSSCRQFV-UHFFFAOYSA-N 299.458 4.754 30 10 CJEE C=CC(C)(C)CC(=O)N(c1cnc2ccccc2c1)C(C)C 1525072454 XRSBIFWOCDYKAU-UHFFFAOYSA-N 296.414 4.579 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C(CC(C)C)CC(C)C 1526895894 OKWHNCCBYPZNQL-OAHLLOKOSA-N 267.457 4.556 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1 1531922716 DNRRFJMLZNGRAY-BBRMVZONSA-N 291.822 4.513 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCCc1ccccc1Cl 1536778821 QPDPPRIZIQAHEC-AWEZNQCLSA-N 293.838 4.524 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)CCC1 1537975544 SPDLFHZVFPKARR-GOSISDBHSA-N 297.442 4.660 30 10 CJEE C=C(C)CCC(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 1544646580 GLEIZXGHJZPATF-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 1583982511 KRVUIWYLFKNSMB-GFCCVEGCSA-N 299.336 4.863 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C2CCC2)c1 1586139470 DSOUCVPTFMDYMQ-APWZRJJASA-N 297.442 4.819 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc([C@H](C)CC)c1 1618231292 YXJLHFGWFUZYQT-CQSZACIVSA-N 271.404 4.907 30 10 CJEE C=C[C@@H]1CCCCN1Cc1c(C)ccc2cc(C)ccc12 1642926105 CLHZUWYNVHWSMR-GOSISDBHSA-N 279.427 4.997 30 10 CJEE C#CCC1(NCCC2C[C@H](C)C[C@@H](C)C2)CCCCC1 1644641304 XMMGGFURCUJNJH-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE C=CCCCCCOc1c(C=O)ccc2ccccc12 1651998132 DOTPDYJPMKZOHE-UHFFFAOYSA-N 268.356 4.778 30 10 CJEE C=C(CC)CN1CCC[C@H]1c1cccc(Br)c1 1653178822 NVGUWHAHBOLDRW-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE CCCCCCCCCN1CCS[C@H](C)CC1 1653285367 JLPYFHJAPFJPJV-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 1657431718 OREDXGSXQIRADW-SJLPKXTDSA-N 287.447 4.945 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CC[C@H](OCCC(C)C)CC1 1658559143 GTLVQYUTFVBXSE-BZSNNMDCSA-N 281.484 4.695 30 10 CJEE C=CCN(CCc1ccc(C)c(C)c1)c1ccccc1 1659493561 BJQXDMZRSOJMAT-UHFFFAOYSA-N 265.400 4.539 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(C(F)(F)F)s1 1659951958 HEFXXHCVQRCCDY-JTQLQIEISA-N 277.355 4.601 30 10 CJEE C/C(CCc1ccccc1)=N\OCc1ccccc1Cl 1860465893 WBKXFDISTIPMSC-XMHGGMMESA-N 287.790 4.865 30 10 CJEE CCCCc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1 1874719387 ZYNQICRNXOGHBG-NTEUORMPSA-N 280.367 4.631 30 10 CJEE CC#CCCC[C@@H](CCC1CCCCC1)NCCC 1879645884 ZVPDDFDEOKZHQD-SFHVURJKSA-N 263.469 4.909 30 10 CJEE Cc1sc(Cl)cc1[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 1882185467 PQZAYFWDAYXABI-GHMZBOCLSA-N 298.644 4.660 30 10 CJEE C=CCCCCCN(C)Cc1cnc(C(C)(C)C)s1 1884238592 WOUIZMAKMNXZEO-UHFFFAOYSA-N 280.481 4.619 30 10 CJEE CC#CCCCC[C@H](NCCC)c1cc(C)sc1C 1885237176 PNTJCBHTXLUBRA-KRWDZBQOSA-N 277.477 4.989 30 10 CJEE C=C(F)CCc1cc(Cl)c(C)c(Br)c1 1885875330 HKQYKAMETAZWKY-UHFFFAOYSA-N 277.564 4.827 30 10 CJEE CC(C)(C)C#CC[C@@H](O)c1cc(-c2cccs2)cs1 1886382921 YLSJSQLTNWZDCD-CYBMUJFWSA-N 290.453 4.950 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](CC)C(C)C 1888324251 KAGQNGWNOHJDTE-ZNMIVQPWSA-N 296.455 4.596 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C(F)(F)F)CCC1 1888683999 FMKYIKCWASMALH-UHFFFAOYSA-N 297.364 4.797 30 10 CJEE CC[C@H]1CCCC[C@@H]1N=C1NC2(CCCCCC2)CS1 1912101733 AAYGSDCOTHLFSM-GJZGRUSLSA-N 294.508 4.741 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@@H]1CCC2(CCCCC2)C1 1916125110 DSXFQXLJUWZHNH-JKSUJKDBSA-N 276.468 4.750 30 10 CJEE C[C@]12CCC[C@H]1N(CC1(CS)CCCCCC1)CCC2 1918193843 AKMQTTJXQFAQCE-IAGOWNOFSA-N 295.536 4.911 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(F)c(F)c1F 1919913860 RLUGZPZCYSDOPL-HNNXBMFYSA-N 274.326 4.672 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1ccc(C)cc1Cl 1920347550 MOKFICODTLPUDY-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CC1CCC=CCC1 1920400617 IYINHSSRCYFKHY-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCCCC)NCC 1921140458 GJMYGQWORYWAFO-DLBZAZTESA-N 271.489 4.656 30 10 CJEE C=C([C@@H](NC)C1(CC(C)C)CCCC1)[Si](C)(C)C 1922861020 TVXXZYBAUHSNII-OAHLLOKOSA-N 267.533 4.615 30 10 CJEE CC1(C)CCC[C@]1(C#N)CCSC1CCCC1 1944479225 ZUOZKHKKGFQEFO-OAHLLOKOSA-N 251.439 4.772 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCSC1(C)C 1948925168 YFEDZZCNZQIYGD-KGLIPLIRSA-N 257.487 4.596 30 10 CJEE C[C@@H]1CC[C@H]([C@@H](C#N)Sc2ccccc2Cl)C1 1949502793 YESSOFAXHMHFAP-UHIISALHSA-N 265.809 4.760 30 10 CJEE CCCCCCCCCCCC1([C@@H](OC)C(=O)O)CC1 1952773470 WUTJRLFDTAHVTH-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE C=C[C@H](C)C[C@H](CCCOCc1ccccc1)NCCC 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273.411 4.736 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](OC)C1CCCC1 2227288130 SKONYDOOSSKXIL-KRWDZBQOSA-N 266.425 4.677 30 10 CJEE FC(F)(F)c1ccccc1COCCCCCCS 2227764287 DCMMKJGPSHSKCG-UHFFFAOYSA-N 292.366 4.712 30 10 CJEE C=C([C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C 2228023629 BXJZCFROOWAXOB-GFCCVEGCSA-N 291.744 4.961 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncccc1C1CC1 2228781763 QCJKDFKERIEXCT-ZBFHGGJFSA-N 256.393 4.506 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@]1(C)CCCC1(F)F 2231490593 JQEDBFLESVSORZ-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CCCCC[C@H](O)Cc1ccc(C(C)(C)C)cc1 2231561840 JMCLSDPXHPZMLA-KRWDZBQOSA-N 260.421 4.634 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](OCC)C1CC1 2231930253 POGMSLUKQGXLDQ-DOTOQJQBSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCC(C)(C)C[C@H](C)O 2231945866 KKBOFEZPQJKRPG-CVEARBPZSA-N 271.489 4.512 30 10 CJEE C=CC1(CC(=O)[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233607733 ZEDQDIYCBXLAAT-ZSOGYDGISA-N 282.374 4.764 30 10 CJEE C=CCCCCCCCCOC[C@@H](NC)[C@@H]1CC1(C)C 2234047186 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CCCCCCCC[C@H](C)NCC12CCC(CC1)CO2 2240642928 RQMOWEKJOVBBDE-AOCRQIFASA-N 281.484 4.674 30 10 CJEE C=CCCC[C@H](NCC)[C@](C)(O)CCCCCCCC 2240667636 YFVALPVKCKZECW-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=CCCCC(=O)c1cc(Cl)c(Cl)cc1C 2243876494 DAAUVUUIIWIADE-UHFFFAOYSA-N 257.160 4.841 30 10 CJEE C=C([C@H](N)c1cc(Cl)c(Cl)cc1C)[Si](C)(C)C 2249733632 KSQAJHYZHVWAAI-ZDUSSCGKSA-N 288.294 4.735 30 10 CJEE C=C(F)C[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2249734369 QHSLEAIYKJOKMD-CYBMUJFWSA-N 276.182 4.826 30 10 CJEE CCC(C#N)(CC)CCCCCCCCCCO 2258734779 NIUSUAJGPHLVLE-UHFFFAOYSA-N 253.430 4.820 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(F)c(Cl)c1F 2259198773 LZNYGRANUOPABW-LBPRGKRZSA-N 273.754 4.755 30 10 CJEE CCC1CCC(C#N)(CCCCCCOC)CC1 2259316256 LQVZVSJYSZZWJE-UHFFFAOYSA-N 251.414 4.693 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C(C)C 2263121825 ZGUNJENOLJDDCH-INIZCTEOSA-N 257.462 4.517 30 10 CJEE Cc1cc(NCC#CC2CCCC2)c(Cl)cc1Cl 2263201562 INZCRPKFBQJKMD-UHFFFAOYSA-N 282.214 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CC)COC 2263716505 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C=C[C@@H](CC)CC(=O)N(C(C)C)[C@@H](C)c1ccccc1 1596059532 SPMMBGGSEWWFEK-HOTGVXAUSA-N 273.420 4.587 30 10 CJEE C#CC1CCN(C(=O)C[C@H](C)CCCCCCCC)CC1 1611013024 IJDUEXHQFIPUGQ-QGZVFWFLSA-N 291.479 4.635 30 10 CJEE C=C(C)CN[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 1616692830 ZWURUGJXURHILC-AWEZNQCLSA-N 285.362 4.845 30 10 CJEE C=CC[C@@H]1CCN1Cc1ccc([C@@H](C)C(F)(F)F)cc1 1620648774 CRPPPFFBOACKIK-IUODEOHRSA-N 283.337 4.503 30 10 CJEE C=CCC[C@@H](CC)NC[C@H](C)Oc1ccc(C(C)C)cc1 1621320485 BQMACBCLUWKBHU-FUHWJXTLSA-N 289.463 4.912 30 10 CJEE C=CCC[C@@H](NCc1cccc(OC)c1C)c1ccccc1 1642481825 MEPUOEJPSALGIA-LJQANCHMSA-N 295.426 4.801 30 10 CJEE C=CCN(CCc1ccc(F)cc1F)CC1CCCCC1 1651992924 ZDALAOJNOJOKLA-UHFFFAOYSA-N 293.401 4.576 30 10 CJEE C#CCN(CCC[C@H](C)CCC)[C@@H]1CCc2ccccc21 1652347544 LBLCUJMMZYXVNQ-YLJYHZDGSA-N 283.459 4.826 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](C)CCc2ccc(Cl)s2)CC1 1653059641 YLDBIFKNHWOVCQ-IHRRRGAJSA-N 295.879 4.504 30 10 CJEE C=C(CC)CNC(C)(C)c1ccc2ccccc2c1 1654405027 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1876792676 LREBZAIXRVTSEQ-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE CCC1CCC(C[C@@](C)(C=O)c2ccccc2)CC1 1878267160 RLPVOUSGJBLPMU-HTWSVDAQSA-N 258.405 4.750 30 10 CJEE Cc1cc(Oc2ccc(F)cc2C#N)c(C)cc1Cl 1878911513 DTYLQQLOIPBNEI-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](COC)CC(C)C 1879027881 YWZFYAWGHMNWFI-IRXDYDNUSA-N 271.489 4.634 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@@H]2CC[C@@H]2C1 1882921814 PCFFKZROMVFJGO-REPLKXPHSA-N 269.432 4.501 30 10 CJEE CC#CCCCC[C@@](C)(O)c1ccc(C(C)C)cc1 1885239312 ZCQQORGPEKKBCT-GOSISDBHSA-N 258.405 4.601 30 10 CJEE C#CC[C@@H](C[C@](O)(CC)CC1CCCCC1)C1CC1 1887103163 NSZCHLUQANLLKV-ROUUACIJSA-N 262.437 4.538 30 10 CJEE C#CC[C@H](C[C@H]1CCCCCCCC[C@H]1O)C1CC1 1887103309 PBCFBUCGMHGHIF-KZNAEPCWSA-N 262.437 4.538 30 10 CJEE CCCCN(C1CCCCCC1)[C@H]1CCC[C@H]1C#N 1888624265 FRHQJKAODADOOY-RDJZCZTQSA-N 262.441 4.504 30 10 CJEE C=C(C)CCCCn1cc(C(C)C)nc1Br 1903343153 OGWCLZPZVRGZPM-UHFFFAOYSA-N 285.229 4.515 30 10 CJEE Cc1c(Cl)cccc1CC(=O)C1=CCCCCC1 1913198700 DQRNCMNWUUFTCO-UHFFFAOYSA-N 262.780 4.651 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917527933 FIIONNBEVPUDOU-PNVOZDDCSA-N 263.469 4.617 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCC(C)=C(C)C)NC 1920811242 IOLTVXSNLOSCHU-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H](C)C2CCCCC2)CC1 1924143528 ZLYYSXJTGYPJNU-QAPCUYQASA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cscc1OCc1ccccc1 1934834680 YSTJKEUPKRRRKJ-GUYCJALGSA-N 288.412 4.573 30 10 CJEE C=CCCCCC[C@@](N)(CC)CCC(F)(F)F 1948979974 CLTZHUGLRLGNEB-LBPRGKRZSA-N 251.336 4.573 30 10 CJEE C[C@@H]1CC[C@@H]([C@@H](C#N)Sc2ccccc2Cl)C1 1949502791 YESSOFAXHMHFAP-JTNHKYCSSA-N 265.809 4.760 30 10 CJEE CCCCCCCCCN1CCC[C@@H](C(F)F)C1 1963222629 KPSVPIGCMGVDHD-CQSZACIVSA-N 261.400 4.714 30 10 CJEE CCCCCCC[C@H](C)NCC1[C@H]2CCCC[C@H]12 1967860201 LTJXIDBAYUPOTN-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE CC(C)C1CCC(Nc2cccc(Cl)c2C#N)CC1 1970998987 RCXFYJACNRNNNL-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CC1(C)OB([C@H]2C[C@@H]2c2cccc(C3CC3)c2)OC1(C)C 1975303394 KWARRSJLBZFKLV-CVEARBPZSA-N 284.208 4.514 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cscc2Cl)C1 1983398888 GKJYCRCUDDZQIY-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE CCCCC#CCC(=O)c1cc(C)sc1Br 1994216124 CHPPBEZFBAFJIC-UHFFFAOYSA-N 299.233 4.585 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(C)c(Br)c1 1996465771 CZIDWFOCVXPTAI-IUODEOHRSA-N 296.252 4.620 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1cc(Cl)c(Cl)s1 2020528733 QYWRJZUOJWSQCX-GFCCVEGCSA-N 284.211 4.768 30 10 CJEE C=CCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2024579968 OBSYDZMWMMFSBQ-LLVKDONJSA-N 276.182 4.749 30 10 CJEE C=CCCCCCCC(=O)C(C)(C)C(F)(F)F 2026019944 SHAKEQCKQKBCNK-UHFFFAOYSA-N 250.304 4.671 30 10 CJEE CCCCCCCCC[C@]1(C#N)CCCOCC1 2028635147 XOEFXMMZICEQHR-INIZCTEOSA-N 251.414 4.838 30 10 CJEE CCCCCCCCC[C@H](NC)c1ncsc1C 2030143632 CTZUMMKGWIHHSW-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE N#C[C@@]1(Cc2c(Cl)cccc2Cl)CCC(F)(F)C1 2030369081 RIKMBKQOMOSDMB-GFCCVEGCSA-N 290.140 4.865 30 10 CJEE Cc1csc([C@H](N)CC#CC2CCCCC2)c1Cl 2032521965 DJDUTFOEDWMRHC-CYBMUJFWSA-N 281.852 4.684 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CC[C@@H](F)C1 2032981482 SFIOSNZVVNRVNX-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C=C(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C(C)(C)C 2035481371 KCJSTJAIOLQAOV-MNOVXSKESA-N 262.315 4.527 30 10 CJEE C=C(C(C)(C)C)[C@](N)(c1ccc(Cl)cc1)C1CC1 2037304672 GZBCLIRAWDSVNI-MRXNPFEDSA-N 263.812 4.506 30 10 CJEE C=CCC[C@H](C)[C@H](NC)[C@H]1CCC[C@H](CC)CC1 2041371604 IXDGWLAYGVXVGT-QAETUUGQSA-N 251.458 4.783 30 10 CJEE Cc1cc([C@@H](C#N)NC2CCCCCC2)sc1Cl 2046767765 CETREUKTQGBBNL-GFCCVEGCSA-N 282.840 4.587 30 10 CJEE CCCC(CS)(CCC)COc1ccc(Cl)nc1 2046993562 TYGSBRLBQMPOLC-UHFFFAOYSA-N 287.856 4.630 30 10 CJEE C=C(C[C@H](NCCC)c1cc2sccc2s1)OC 2051381925 WRBOOMFCBSEIMQ-NSHDSACASA-N 281.446 4.554 30 10 CJEE C=CCCC[C@H](NCC)c1c(Cl)ccc(F)c1F 2052910791 UCIVFUYPVDNNDB-LBPRGKRZSA-N 273.754 4.625 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)C1(C)CCC(C)CC1 2056550941 ACIIUISSYPDDMJ-VUROTCPHSA-N 251.458 4.783 30 10 CJEE C=CCCCC[C@@H]1CCCC[C@@H]1CNC(C)(C)C 2059114900 NQSWKNSFARQSLM-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CC=C(C(=O)c2csc(C(C)C)n2)CC1 2061185066 APCQQPGYYLSBJI-NSHDSACASA-N 263.406 4.586 30 10 CJEE CCCCCCCCCCn1ccnc1C(F)F 2065667818 OEVOSUKTTNSVSH-UHFFFAOYSA-N 258.356 4.961 30 10 CJEE C=CC1(CNCc2ccc(CC)s2)CCCCC1 2069158347 SYFJJJYKYXVWNV-UHFFFAOYSA-N 263.450 4.537 30 10 CJEE C#Cc1cc(C2CCCC2)nn1Cc1cc(C)cc(Cl)c1 2070176213 DUJNDDPLUJILON-UHFFFAOYSA-N 298.817 4.532 30 10 CJEE CC(C)[C@H](CC#N)Nc1cc(Cl)c(F)c(Cl)c1F 2080264328 DXYGQMCOLNFFHB-QMMMGPOBSA-N 293.144 4.622 30 10 CJEE O=C[C@@]1(CC(F)=C2CCC2)CCCCC12CCC2 2081674130 DNMZZDGMKNGEAE-INIZCTEOSA-N 250.357 4.714 30 10 CJEE CCCCCCCC(=O)c1ccc([Si](C)(C)C)cc1 2087487264 YMHOBDUQONUVAE-UHFFFAOYSA-N 276.496 4.775 30 10 CJEE CC[C@H]1C[C@H](C)SC(=NCCC2CCCCCC2)N1 2089221579 CQXHNYUZSPPJOK-ZFWWWQNUSA-N 282.497 4.597 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(C2CC2)cc1 2089537965 BSGWXWCVISBADQ-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=C(C)CCC1(CNC(C)(C)C)C[C@@H]2CC[C@H](C1)S2 2089756171 IRUFUXXOYUASHX-FKEKPDDDSA-N 281.509 4.775 30 10 CJEE CCCCCCCCCCCCO[C@H]1CNC[C@H]1C 2090689126 NEGPWULVTPVOHM-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC(=O)CC1(COC)CCCCC1 2094230297 CVCFFFYAEXFQFN-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE C#Cc1cccc(NCC(C)(C)C2CCCCC2)c1 2095092028 DDGZYQPZLKXDGA-UHFFFAOYSA-N 255.405 4.686 30 10 CJEE C=C(C)CC[C@@H](C)Nc1nc(Cl)nc2sc(C)cc12 2096542204 KPGNFHXKXVTNRS-SECBINFHSA-N 295.839 4.810 30 10 CJEE C=C([C@@H](O)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C 2096633428 QXGQTAVMSLHVKV-GFCCVEGCSA-N 292.728 4.995 30 10 CJEE CCCCCCCO[C@@H]1CCCCCCCC[C@H]1N 2097106994 DSZTUBKJIBLWPM-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)[C@H](C)CC(C)C)CC1 2097629600 AOCVFVFCZAWFOF-GYXIZQIFSA-N 265.441 4.530 30 10 CJEE C=C[C@@](N)(CC1CCC(C(F)(F)F)CC1)C(C)(C)C 2098465620 FYDBTLLSMLFEAS-ORHYLEIMSA-N 277.374 4.675 30 10 CJEE CCCCCCCCNCc1ncc(C(F)(F)F)s1 2099857320 DVSALJSFNJKYJS-UHFFFAOYSA-N 294.386 4.612 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C)cc2C#N)CC1 2103217427 AZUHGDNDTMIDKS-ZBFHGGJFSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@H](C)O1)NCC 2104803679 XGBDXLMGPZORRD-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C=CCC[C@H](NCCC)c1cc2cccc(C)c2o1 2105122579 LFFYKWPCMYGRTQ-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE CCCC[C@@](C#N)(CC)c1ccnc2ccccc12 2108206195 IKKNLGUYJIRSIM-QGZVFWFLSA-N 252.361 4.596 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(SC)cc1 2108209834 ALCYVJWGZGZWMK-HZPDHXFCSA-N 277.433 4.552 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1[C@H](C)[C@H]1CC 2108235455 XTBSGKVFHGWHKH-WCXIOVBPSA-N 268.489 4.641 30 10 CJEE CCCCCCCCC[C@@]1(N)CCOCC[C@@H]1CC 2109056596 XWPNQHCPXIPOQL-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@@H]1CC2(CCCC2)CO1 2109927603 MAAQNYAOYOYRJW-CVEARBPZSA-N 266.425 4.511 30 10 CJEE C=CC1(C[C@@H](NCC)C2CCC(SC)CC2)CCC1 2111719844 FOXCQIUVTZCZCG-UYSNPLJNSA-N 281.509 4.633 30 10 CJEE CCCCCCCCO[C@H]1CCCCCCC[C@@H]1O 2112473530 TYIICAQGCFGACS-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CC(C)(C)c1ccccc1OC[C@H](CS)CC1CC1 2112869996 YTMUVDWXWKXUEH-CQSZACIVSA-N 278.461 4.709 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](CS)CC1CC1 2112870910 ITSFBPSTEMRYJH-GXTWGEPZSA-N 297.895 4.679 30 10 CJEE CCCCCCCCCCCCC[C@@H]1COCCN1 2116200094 QACNUZHSURJLIN-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(C(F)F)c1F 2116659211 XEPCEYSOTZURQU-ZWNOBZJWSA-N 271.326 4.626 30 10 CJEE CCC#CC[C@H](NCCC)[C@]12CCCC[C@@H]1CCC2 2117449915 GQNSZGRSLJEWGF-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE CCC#CC[C@H](NCCC)[C@@]1(C)CC[C@H](C)C1(C)C 2117451336 ZABZPOTUQIHXEP-XYJFISCASA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@@H]1CCCNC1 2119687200 IICAZNBGNDCADY-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCOCC[C@@H](N)C(C)(C)C 2119755201 ZTAXCUHWWQWDCM-MRXNPFEDSA-N 271.489 4.907 30 10 CJEE CC1(C)CCC=C[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2120883330 CABCQOPQBSDPCF-AWEZNQCLSA-N 278.758 4.507 30 10 CJEE C=C1CC(C[C@@H]2C[C@@H](CCC)CC[C@@H]2CNCC)C1 2125685670 ALGOHSVZLSRFFF-JQHSSLGASA-N 263.469 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259.384 4.536 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2321141344 NXTLRCQLOUQYHM-HZMBPMFUSA-N 286.246 4.645 30 10 CJEE CC[C@H]1CCCC[C@H]1OCC1(CS)CC(C)(C)C1 2321710823 PXYMANYOGAUVJP-UONOGXRCSA-N 270.482 4.708 30 10 CJEE Cc1cc(OC[C@@H](CS)CC(C)C)cc(C)c1Cl 2328520237 CASKAGDQDBRRMC-ZDUSSCGKSA-N 286.868 4.928 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CC[C@H](COC)C1 2331340932 UZVSAUKBNKKSBF-IXDOHACOSA-N 270.457 4.551 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1C[C@H]1C1CCCCC1 2333169274 SERIVLVIZXJPHG-RCCFBDPRSA-N 262.437 4.538 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335113399 CAVYRNZUCVLTLP-OAHLLOKOSA-N 281.827 4.664 30 10 CJEE C=CCCCCCC[S@](=N)(=O)CC1CCC(C)CC1 2335356646 SVXJEQWBOGAIEX-RJYAGPCLSA-N 285.497 4.996 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(C)c(Cl)c1C=O 2335575904 CRYKJMXUFVSDLL-CYBMUJFWSA-N 280.795 4.975 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)C)CCCC[C@H]1C 2338726464 BAPFQNTVHGZIHY-AEFFLSMTSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1C[C@H](C)C[C@@H](C)C1 2338737847 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C=CC[C@H](C)[C@@H](C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCC 2344383231 HXTYFJXKNVYOTL-QUSNUVHPSA-N 263.469 4.639 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352756205 IRQJYPVCCPVIPZ-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CCCCCCCCCN1C[C@H]2CC[C@H]1C(F)(F)C2 2353036846 XRPQTUVEXJYDNN-GJZGRUSLSA-N 273.411 4.857 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@@H](OC)[C@@H]2C1 2358948007 MFTDGMBNGUBJNX-IGKNDFSCSA-N 281.484 4.529 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(F)c1CNC1CCC1 2360379411 VMXSKLOBWODPSN-LLVKDONJSA-N 297.414 4.664 30 10 CJEE O=C1/C(=C\c2cccc(F)c2)CC/C1=C/c1cccc(F)c1 8553389 IFEQEPPBJWNCLN-VULZFCBJSA-N 296.316 4.795 30 10 CJEE Cc1cccc(COc2ccc3ccccc3c2/C=N/O)c1 11949563 MVMWVIXDKXUHPN-UDWIEESQSA-N 291.350 4.535 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1F 36862254 JQGIHDZIGFUYBK-RPVQJOFSSA-N 289.394 4.675 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 36973513 RDSYHCAVKBSSQH-NSHDSACASA-N 284.325 4.958 30 10 CJEE CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1 37072712 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30 10 CJEE CCCCCCC[C@H](N)Cc1cc(Cl)ccc1OC 161964661 NGVMEKXGFXBYOB-HNNXBMFYSA-N 283.843 4.579 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccccc2)s1 166122055 SIBZFZUNBDXDMO-CYBMUJFWSA-N 270.401 4.722 30 10 CJEE C=CCC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 167797107 MGJKRKZIBPLKAF-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CC[C@H](Nc1c(C)cccc1C#N)C1CCCCC1 221049274 GVKMQAFDXUDZBG-INIZCTEOSA-N 256.393 4.638 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](n2cnc3cc(C)c(C)cc32)C1 222225712 FHGUUPZGNTYNJY-VYDXJSESSA-N 281.403 4.544 30 10 CJEE C=CCCC[C@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 227527022 SXTPRVLWPFGDNC-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCC(=O)c1cncnc1 229823599 QOKOPGCJOHVCDC-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE C#C[C@@H](CCC)N[C@H]1CCCC[C@@H]1C1CCCCC1 229908391 UWYKPBNPZDGMFJ-KSZLIROESA-N 261.453 4.517 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079781 DYEDUUOOJRVYMZ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](C)c1nccs1 231901364 URIOEWDFJYNUAH-KBPBESRZSA-N 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LUTBODTZIXSIKG-UONOGXRCSA-N 261.400 4.890 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccsc1OC 2223830576 BYJBAPXRKLRXNC-OAHLLOKOSA-N 269.454 4.681 30 10 CJEE C=CCCCC[C@H](NCC)C1C[C@H]2CCC[C@H](C1)C2 2225318677 QHPWFHPLHMLGQO-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CC(C)(C)C#CC(=O)c1ccc(-c2ccccc2)s1 2225502829 ARXQIXAIFLVFHL-UHFFFAOYSA-N 268.381 4.647 30 10 CJEE C=CCCCCCCC[C@@H](N)c1c(F)cccc1F 2227272980 PMIAOJRBHKGFTD-OAHLLOKOSA-N 267.363 4.881 30 10 CJEE C=C1CC(C[C@@H](Cc2cccc(Cl)c2Cl)NCC)C1 2227502295 HWENKLKAEFIBBV-AWEZNQCLSA-N 298.257 4.870 30 10 CJEE CC#CCCC[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2228041255 FKEUICLIPQVGSG-ZDUSSCGKSA-N 290.712 4.586 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cccc3ccoc23)C1 2232349439 ZXLFNSSBFYGLJF-GUYCJALGSA-N 253.345 4.695 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc2ccoc12 2232397929 DLCTTXZPYOUXET-BBRMVZONSA-N 257.377 4.686 30 10 CJEE C=CCCCC[C@@H](NC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233659151 ZHBYEGRCKGNKON-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=C(C)CC[C@H](C)NCC1C[C@@H]2CCC[C@H](C1)C2(F)F 2233674189 NAVLDFVITHOWSX-HNSVSWJLSA-N 285.422 4.782 30 10 CJEE CCCN[C@@H](C#CP(C)(C)=O)[C@@H]1CCCC(C)(C)CC1 2233798647 MJFGACSIQSOLTC-CVEARBPZSA-N 297.423 4.545 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H](CC)COC)NCC 2235527728 YFWRLCWNDPCVBE-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC(=O)c1nc(C)c(C)nc1C 2235531570 AIXNPVPSDQYOAA-UHFFFAOYSA-N 274.408 4.501 30 10 CJEE C=CCCCCCCCC(=O)[C@@](O)(CCC)C(F)(F)F 2235542793 WNBZFTWOXQNXTQ-AWEZNQCLSA-N 294.357 4.566 30 10 CJEE CSc1cccc(OCC2(C)CC3(CCC3)C2)c1C#N 2236482972 QLVAKTGRMBHHMK-UHFFFAOYSA-N 287.428 4.629 30 10 CJEE C[C@@H]1O[C@H](C)C[C@]1(C#N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2238906770 UZKSCYSUTAYZGS-BQULAQKPSA-N 275.436 4.690 30 10 CJEE CC1([C@H](N)C#Cc2cccc(Cl)c2)CCCCCCC1 2239457091 CSZPXJTWVTZSRZ-QGZVFWFLSA-N 289.850 4.769 30 10 CJEE CCCCCCCCCCCCO[C@@H](CC)C(=O)OC 2239492795 MXYMGHZDALJARI-INIZCTEOSA-N 286.456 4.876 30 10 CJEE CCCCCCCCCOc1ccc([C@H](N)CC)cn1 2239539372 YXWYSJMRIDLAHV-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE CCc1ccc(C#C[C@@H](N)c2cc3sccc3s2)cc1 2239645171 DORQFVGTAIDLCV-CQSZACIVSA-N 297.448 4.577 30 10 CJEE CC[C@@H](C)NCc1ccc(S[C@H](C)C(C)C)c(C#N)c1 2240289175 LOPYZJMRCAXHJG-ZIAGYGMSSA-N 290.476 4.583 30 10 CJEE CCCCCCCC[C@]1(C)[C@@H](NCC)CCN1CCC 2240667090 SMCYMKKOVIECPT-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=C(C)CCCCOc1ccc(Br)cc1C 2244629052 VGROIBDKQXFAPV-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(C)c(Cl)s1 2244637639 NMTWCCUOGUZMOL-NSHDSACASA-N 258.814 4.880 30 10 CJEE FC1(F)CCCC[C@H]1CSC[C@H](CS)C1CC1 2248093000 SODJRVGNJKASHZ-RYUDHWBXSA-N 280.449 4.501 30 10 CJEE C=C(C)CCCCC[C@H](O)c1ccc(Cl)cc1 2250158160 FQSNWSYSYOJEQD-HNNXBMFYSA-N 252.785 4.900 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc(C)c(Cl)cc1C 2257653858 WSBJTVQJCHDRBM-BDJLRTHQSA-N 265.828 4.820 30 10 CJEE CCCCCCCC(=O)C[C@@H]1CCC[C@@H]1C(F)F 2257843484 ADEMYIBRDNJYJA-JSGCOSHPSA-N 260.368 4.988 30 10 CJEE C=CCCCCCCCSC[C@H](C(=O)O)C(C)C 2258981180 MPJVEOVMIISMSN-AWEZNQCLSA-N 272.454 4.603 30 10 CJEE C=CCCCCCCCSc1nc([C@H](C)O)cs1 2259046745 UMPCAFCJWVSBCC-LBPRGKRZSA-N 285.478 4.815 30 10 CJEE COCCCCCSCC1(CS)CCCCCC1 2259288301 KRELRFZUTJYBCX-UHFFFAOYSA-N 290.538 4.807 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1cc(Cl)cs1 2261474362 UCYRZQRXNHWWNV-GFCCVEGCSA-N 288.840 4.696 30 10 CJEE CCCCCCCC[C@](C)(CCCC)OCCN 2262560988 NPJSQVZSXCVALR-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(C#N)N1CCCC1 2263715279 IUSSXFXHIOWIAV-INIZCTEOSA-N 250.430 4.505 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc2cccnc2s1 2265473704 QQNGPLYLLFPROR-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE C=CC[C@H](C)Oc1sc(CN[C@H](C)CC)c(C)c1C 2265937342 WEPLYVVAIJVSDY-NEPJUHHUSA-N 281.465 4.596 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C#N)CCCC[C@@H]2C)c1 2269186379 UCCCFIBKXATUOM-BLLLJJGKSA-N 277.795 4.611 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1c(C)oc(C)c1C 2271785418 MRRJPJLLPHMZFS-INIZCTEOSA-N 263.425 4.992 30 10 CJEE C=C(C)CCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1NCCC 2271790272 DUKZZHMWNIZSLY-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C(F)(F)C12CC2 2271793773 ZKMZJDHGQDFVQH-UONOGXRCSA-N 271.395 4.536 30 10 CJEE CC[C@@H]1CCC[C@@H](C(=O)C#CC2CCCCC2)CC1 2273899728 KLAOFOLIRPZKHK-NVXWUHKLSA-N 260.421 4.746 30 10 CJEE CC[C@@H](C[C@@H](C#CC1CCCCC1)NC)C(C)(C)C 2273976956 PDYWVMNWRVYFCT-DLBZAZTESA-N 263.469 4.621 30 10 CJEE CCCCCC[C@@H](C#CC1CCCCC1)NCCC 2274057936 CXLXPYVMTAQSFH-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCCC[C@H](OCCN)c1cscc1F 2276503677 LQCSZFZMIRLEIM-HNNXBMFYSA-N 287.444 4.654 30 10 CJEE CN(CCCCCCCS)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2277500176 LXBBBLUZKVAXGG-OSYLJGHBSA-N 283.525 4.625 30 10 CJEE C=CCCCCCCOc1c(Cl)cccc1C(=O)O 2277622302 YROGTALVSLYLFW-UHFFFAOYSA-N 282.767 4.554 30 10 CJEE CCCCCCC[C@@H](C#Cc1ccccc1Cl)NC 2277853614 UMHCIFUOTZTTQD-INIZCTEOSA-N 277.839 4.640 30 10 CJEE CC=C[C@](C)(CCCCCCCCC)OCCCN 2278243389 NSOAMBMSUYIGME-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@H]1CCCCC12CC2 2279518858 ACVRBPPMXOGXGO-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE C=C1CCC(CN2CC(F)(F)C[C@@H]3CCCC[C@H]32)CC1 2279694858 RYFCWWBFAXJQTR-JKSUJKDBSA-N 283.406 4.633 30 10 CJEE CCCCCCCCCN(C)C[C@H]1CC(C)(C)CCO1 2280238583 FCQMZRLKKUSHHQ-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)c1sccc1CC 2282918827 KOLKJHUDFPDKOF-OAHLLOKOSA-N 296.476 4.995 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cn(C(F)F)c(C)n1 2284764174 FUVXPKKYDYPVAS-OAHLLOKOSA-N 287.398 4.511 30 10 CJEE C=CCCCCCCCSc1cccc([C@H](C)NC)n1 2287076058 QOEBVEYFPUOPTN-HNNXBMFYSA-N 292.492 4.981 30 10 CJEE C=C(C)CCCC[C@]1(CNCCOC)CCCC1(C)C 2287378860 ZRZLFPMQELOONI-GOSISDBHSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1C[C@H]2CCCCCC[C@H]21 2287424639 UJKOMKYCSVUCKR-TVFCKZIOSA-N 278.484 4.561 30 10 CJEE CC(C)CNC[C@@]1(CC#CC2CCCC2)CCC1(C)C 2289901649 RTMHTSBFGFUQFJ-LJQANCHMSA-N 275.480 4.622 30 10 CJEE CC1(C)CC(=O)C=C(Cc2cccc(C(C)(C)C)c2)C1 2290286650 VHVITIRMOLHQCW-UHFFFAOYSA-N 270.416 4.842 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@H]1C=CCCC1 2290875928 JWYLGBYJVOIIDI-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCC12CCC2 2290877825 SFGCCIGHRKECAD-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCCC[C@@H](CCC(F)(F)F)OCC(=O)O 2291861025 XGWTXDYKUULYRB-LBPRGKRZSA-N 298.345 4.549 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)C1CC(C)(C)C1 2292796023 JNCDVXCRBOJDCH-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@@H]1C[C@H]1C(C)(C)C 2292807433 WNAVRELMXZWDSL-ZACQAIPSSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1sc(C)c(C)c1C 2292909230 NDKADBVUIUOPRU-MRXNPFEDSA-N 295.492 4.826 30 10 CJEE CCCCCCCC[C@H](OCCN)C1[C@@H]2CCCC[C@@H]12 2293025171 FLYIKKSMLZWYMT-ZACQAIPSSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CC[C@H]2C[C@H]2C1 2293262800 IJNOARKVMCSCFJ-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](CC12CCC(CC1)C2)OCCN 2293634480 OZWNISGSUJGGLX-LXPRWKDFSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H](C)[C@H](C)C1 2293651347 IOLQYOPQVOLKBN-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](CCC)(OCCN)[C@H]1CC1(C)C 2293656719 BSZQUPXHUJFOKZ-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@](C)(CCCCCCC1CC1)OCCCN 2293875574 GMFLBNSXQNLYGU-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)C1(OCCCN)CC(CCCCC)C1 2294275180 JZDKSKLTVZXOCY-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@H]1CC1(C)C 2295597696 YPLSCBLQHCNYRR-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)NC1CC(C(C)(C)O)C1 2295673950 MMDOKUFXGODFCF-GTPINHCMSA-N 283.500 4.655 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1c(Cl)cccc1Cl 2298816948 MLWJTDBFAUYSOV-CABZTGNLSA-N 290.259 4.691 30 10 CJEE CCCCCCC[C@H](O)C[C@@](C)(F)C(C)(C)F 2307720613 URERLXLMOAJMRM-GXTWGEPZSA-N 250.373 4.574 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H]1CCC1(F)F 2313775511 MHIFIXUYYYCGLZ-UONOGXRCSA-N 261.400 4.760 30 10 CJEE N#C[C@H](c1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1F 2315351543 PMNPOFUEUSBMSD-LOWVWBTDSA-N 269.722 4.615 30 10 CJEE C=C(C)CCCCCc1cc(F)c(OC)c(F)c1 2316147214 ONLMXTSQJBEIEE-UHFFFAOYSA-N 254.320 4.652 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2316781479 AGEYQRONEHAEDU-YHUYYLMFSA-N 269.860 4.714 30 10 CJEE CC1=C(C)C[C@H](COC[C@H](CS)C(C)(C)C)CC1 2320241464 URAIBZSRQCRSFA-HUUCEWRRSA-N 270.482 4.732 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCCC1=CCCCC1 2327107815 ZJMONUDEDRNSON-MRXNPFEDSA-N 270.482 4.876 30 10 CJEE CCCCCCCCCNC[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329186598 ZPZPQBLQLUOWRA-KFWWJZLASA-N 273.411 4.618 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@@H]1C[C@H]1c1ccccc1 2332825220 GGESAYNAUGHUIQ-BQFCYCMXSA-N 253.389 4.900 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)OCCCN 2335016018 HNKFEPMDEKJOEJ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(CN[C@@H](C)CC)c1 2335229960 SNWOCHJXHOBBFT-QWHCGFSZSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc2ccccc12 2338740066 BQIJIEWZZSXQGF-SFHVURJKSA-N 252.357 4.642 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@]2(C1)CC2(F)F 2338743594 GZWQQAQKYOAJPL-HIFRSBDPSA-N 268.347 4.540 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cccc(F)c1Cl 2338745087 TUPDXLAAYNNMQI-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(F)cc1C1CC1 2339217022 IBPXUVSJGALJRB-UHFFFAOYSA-N 258.336 4.654 30 10 CJEE C=CCCCCCCCCN1CC[C@@H](SC(F)F)C1 2340104078 SNIHXWYCRGBNMM-CQSZACIVSA-N 291.451 4.933 30 10 CJEE C=C[C@H](NCCC)[C@H](c1ccccc1)C1CCCC1 2342368656 UABHCZFTLWGQKM-ZWKOTPCHSA-N 257.421 4.515 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C)c(Cl)cc1OC 2344463926 SMIPUICXYMQZCO-HZPDHXFCSA-N 282.811 4.683 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CC[C@@H]2C[C@H]1CO2 2359097781 INSQUTRWGHEKRA-BBWFWOEESA-N 278.436 4.677 30 10 CJEE N#Cc1cnc2c(Cl)cc(Cl)c(Cl)c2c1Cl 19806970 FQAQFIWCJDSPKB-UHFFFAOYSA-N 291.952 4.720 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc2c(c1)CCC2 37156464 WQYZTSNOOLCIDD-WBVHZDCISA-N 271.429 4.740 30 10 CJEE Cc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1C 37306412 DWXQQSIQTSVNRE-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE Cc1ccc(/N=C2/NC3(CCCCC3)CS2)cc1Cl 53097542 IVVINNSDDJSCMZ-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE C=C(C)Cn1c([C@@H](N)CCCC)nc2cc(C(C)C)ccc21 74297094 HEMCRGBAZJUWOO-INIZCTEOSA-N 299.462 4.926 30 10 CJEE Cc1sc(-c2ccc(Cl)s2)cc1CC#N 77095867 NEGWYDRBYURBEQ-UHFFFAOYSA-N 253.779 4.505 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C2CCCCCCC2)cc1 86580137 CBXBTJQPZFIWAW-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE CCC1CCC(C#N)(Cc2ccn([C@H](C)CC)n2)CC1 87933669 PMRKRWCPXCQLKE-HPUBIQBYSA-N 273.424 4.507 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C3CC3)cc2)c1 94521326 SKVNEFDKGDVXHZ-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CCCCCCCCOc1ccc(CC[C@H](C)N)cc1 104693325 UBLZMOHLNIPONX-INIZCTEOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCCN1C[C@H](C)Oc2cccc(N)c21 105519088 CWTRPXZZBTZKKK-HNNXBMFYSA-N 290.451 4.607 30 10 CJEE CCCOc1c(Cl)cc(Cl)cc1CCCS 107656715 BVYAJZCETSFOIW-UHFFFAOYSA-N 279.232 4.645 30 10 CJEE CCCCCCCN[C@H]1CCCc2sccc21 109957837 FCHMLKKXTNFSFU-AWEZNQCLSA-N 251.439 4.686 30 10 CJEE C[C@@H]1Cc2ccccc2N(c2ccc(C#N)cc2Cl)C1 110259454 VJEXLBQYAQFAHR-GFCCVEGCSA-N 282.774 4.542 30 10 CJEE CCCCCCCCCCCCN[C@H](CC)COC 112876123 ZJIGDVDGGMCNMZ-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@H]1CC 114065605 IIRVZMJKEGOWBI-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@H](O)C(CC)(CC)N(C)C 118168091 AHRQOYMIWFUSPE-MRXNPFEDSA-N 271.489 4.608 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(F)cc(F)cc1F 125758084 JLNFBHOZECPGGE-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE CCCCCCCCCCn1c(C)cc(C(=O)O)c1C 129207757 OOKBQISBIGOIAY-UHFFFAOYSA-N 279.424 4.944 30 10 CJEE C#CC[C@@H](CC)N[C@@H](CC)c1ccc(Cl)cc1Cl 129800291 HDSLOBZFNUQJLJ-DOMZBBRYSA-N 284.230 4.836 30 10 CJEE CCCCCCCCC[C@H](O)Cn1cnc2ccccc21 135351348 JLHMHYRIEOISFB-INIZCTEOSA-N 288.435 4.538 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](OCC)C1CC1 158239386 LRPPZRJRYLBPSM-DLBZAZTESA-N 269.473 4.530 30 10 CJEE N#Cc1ccc(CSc2cccc(F)c2)c(Cl)c1 163435651 NWWJKZGMIIYJHS-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE CCc1cccc(CC)c1NCc1ccc(C#N)cc1C 165276993 VAWCJAJNPKUDQF-UHFFFAOYSA-N 278.399 4.604 30 10 CJEE CCCCCCCCC(=O)Cc1ccncc1Cl 166882027 QQFPPKKGSGFIPJ-UHFFFAOYSA-N 267.800 4.597 30 10 CJEE C#CC[C@H](CC)N[C@H](C)c1cc(Cl)sc1Cl 168241020 PMPDOBOBFRBXGT-BDAKNGLRSA-N 276.232 4.507 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1Cl 168557716 QABWUOBLUWXMMN-OAHLLOKOSA-N 268.832 4.595 30 10 CJEE Cc1nc(-c2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)cs1 185718300 YERCCGJWLCBUGP-UKRRQHHQSA-N 297.427 4.613 30 10 CJEE Fc1cccc(Cl)c1OCC1(CS)CCCCC1 212999434 CFFJHPSXFPLXDT-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE C#CCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)(C)C 219555457 LOXBDFXGFXYMHC-YESZJQIVSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)cc2F)C1 222274387 UTCSODOZCOBBIA-HFAKWTLXSA-N 281.371 4.775 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H]2C(C)C)C1 226563054 ZXNAFLGVMWHZIK-TVFCKZIOSA-N 290.495 4.851 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(OC)CCCC1 228208843 KFOOPDBDIOUUFV-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cccc(Cl)c2F)C1 228393533 BZKLFDVKEVVPND-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCCC[C@@H](N)Cc1c(C)cccc1C 229049016 XEUFKXDUQKTUMU-QGZVFWFLSA-N 261.453 4.924 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cscn1 229131297 YXPKUELATJYHAR-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CCCCCCCCCCOc1ccc(OC)c(N)c1 232310384 MMMWJGBOEXKXPE-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE C=CC[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C 238440777 SMBXWHQNSUSVSJ-SOUVJXGZSA-N 279.424 4.543 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NCC[C@H]1C 250818167 JWNCOLUCFLZTER-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC[C@H]2C(C)C)C1 251704971 QVOKBOPCJAJZKI-OWSLCNJRSA-N 277.452 4.674 30 10 CJEE COc1c(F)cc([C@H](C)F)cc1C1(C#N)CCCCC1 260614369 RPLDRCDIQHNXMV-NSHDSACASA-N 279.330 4.590 30 10 CJEE CCCCCCCOc1cccc(Cl)c1[C@@H](C)N 310793216 BRGBLPIIECDGRV-GFCCVEGCSA-N 269.816 4.709 30 10 CJEE CCCCCCCC[C@@H](CC1(COC)CCC1)NC 311821008 NEMFPYYNPGGRFU-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1c(F)cccc1Cl 313414636 YXYYIEJPIMZXPH-LLVKDONJSA-N 288.753 4.718 30 10 CJEE CCCC[C@@H](CC)CC1(C=O)Cc2ccccc2C1 317103187 BPERVECQGAMOBH-OAHLLOKOSA-N 258.405 4.577 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](CC)CN 379069427 YRKZPTQUBPNLFO-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CC(F)(F)c2ccccc2)C1 381678249 SGWMVFILFNYCDK-ZFWWWQNUSA-N 263.331 4.889 30 10 CJEE C=C(CN[C@@H](C)[C@@H]1CC2CCC1CC2)c1ccccc1 381817320 DXVYFZIEDTYHAH-GSHBMFQSSA-N 269.432 4.504 30 10 CJEE C=CCCCCCCN[C@H]1C[C@@H](OCC(C)C)C1(C)C 383651781 OFWBSTALUWJXSN-DLBZAZTESA-N 281.484 4.552 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCC[C@H]1C 384494732 AFBNRDJITPQTQG-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCOc1csc([C@H](C)NCC)n1 396745076 LSNQHQGNQBUNFK-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCC[C@@H](C[C@@H](CC)CC(F)(F)F)NN 402476049 LVIDCYLJSUPKIW-OLZOCXBDSA-N 282.394 4.548 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc2ncsc2c1 485839891 JGILUWDKHVFDRT-QWHCGFSZSA-N 274.433 4.692 30 10 CJEE C#CCCCCC[C@H](O)c1cc(Cl)ccc1Cl 686672909 NQKFUBLEDCQEJL-AWEZNQCLSA-N 271.187 4.611 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(Cl)ccc1F 686681451 RJRVLZPEKIKOQH-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@H](NCC)C(C1CCC1)C1CCC1 686693172 QREMXAHVLGVVLD-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCC1CCC(/N=C2/NC3(CCCC3)CCS2)CC1 687319630 CTQGDRDINLEELO-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)CCCC1CCC1 688691100 JGDKNLXZWUZNSP-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C[C@@](C#N)(CC1CCCC1)Nc1ccc(Cl)cc1 689732718 SMTWTLNULARFLI-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCCCCCOc1cc(C(C)C)nc(Cl)n1 692629433 YRDFXLXNOFYKLJ-UHFFFAOYSA-N 270.804 4.603 30 10 CJEE C=C(C)[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695062465 WQNNJQGSGNQRJR-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](N)C1 696046859 LJKZOIOIMOPFJF-KSZLIROESA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@]1(C)CCNC1 696473104 OCTIDZHUAIAWKZ-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CN(CCCC1CCC1)CC1(CS)CCCCCC1 701549448 VZIZJBJTCNSVGQ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(C(F)(F)F)cc1 701919137 IFUWUJCKZIYGPL-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE CCCC(CS)(CCC)CS[C@H]1COC(C)(C)C1 703088319 MFBWDHKSMBVKBH-CYBMUJFWSA-N 290.538 4.804 30 10 CJEE CCCCCCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 703724741 YKMLBWXVFYJGCZ-MRXNPFEDSA-N 278.396 4.606 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C=O)CCc2ccccc2C1 703867680 CAELNBVREJDCAS-DNVCBOLYSA-N 272.432 4.823 30 10 CJEE CCC(CC)(CS)CN1[C@H]2CC[C@H]1c1ccccc12 703956013 XOYFGCVLXIUUPU-HOTGVXAUSA-N 275.461 4.614 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CC2(c3ccccc3)CC2)C1 704045105 YQOATIHFLUNBBC-RDJZCZTQSA-N 253.389 4.828 30 10 CJEE N#Cc1cc(Cl)ccc1N1[C@H]2CC[C@H]1c1ccccc12 704047872 RVEHVVPGOACDAT-IRXDYDNUSA-N 280.758 4.608 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2cc(F)c(F)cc21 709425729 UXKNMGIWBQHJQL-UHFFFAOYSA-N 296.386 4.596 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc2ccccc2c1 709980355 NICRKHPCRDUXSR-ZDUSSCGKSA-N 253.345 4.547 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716544507 HTSJKCCEMNSQFE-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H](C)CO1 718394708 KOWWEEVCIYKUDZ-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@H]1N 719301262 QHSONWUBBXOGEB-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H](C1CCCC1)C1CC1 723851968 HYYBJTHAIVYOFR-MRXNPFEDSA-N 274.795 4.592 30 10 CJEE C=C1CCC(C[C@H](NCC)C23CCC(CC2)C3)CC1 724602439 KZOYLNBUDWPSOQ-ADKAHSJRSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H](C)CCC)CC1 724616384 KTTKAGGKUGAAIG-WBVHZDCISA-N 251.458 4.927 30 10 CJEE N#CCc1cc(OC(F)(F)F)c2c(Cl)csc2c1 725287043 YWBQOJDHNCITPO-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE CC/C(=N\OCc1ccc(F)cc1)c1ccc(CC)cc1 821218489 UFKIDFXJLQSDGJ-CZIZESTLSA-N 285.362 4.719 30 10 CJEE CCOc1ccccc1C=Nc1ccc(N(CC)CC)cc1 1084571699 ZIBWULOOHRCLCO-UHFFFAOYSA-N 296.414 4.682 30 10 CJEE CC(=O)C1=C(c2ccccc2)C=C(c2ccccc2)SC1 1088732331 BVDXRDHDDKHRSV-UHFFFAOYSA-N 292.403 4.817 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 1124614473 CRLWCUXBAJWIKR-GOSISDBHSA-N 287.447 4.665 30 10 CJEE C=CCCC(=O)O[C@H](C)c1ccc(OC(CC)CC)cc1 1128889430 ORFASTYAQJBRLU-CQSZACIVSA-N 290.403 4.824 30 10 CJEE C=C/C=C/CCSc1ccc(C#N)c(C(F)(F)F)c1 1165909637 LIYKFCYDUSVOMZ-ONEGZZNKSA-N 283.318 4.801 30 10 CJEE CC(C)(C#N)CCCCN1CCCC2(CCCCC2)C1 1167340694 AHPYZKUCERCDAX-UHFFFAOYSA-N 276.468 4.753 30 10 CJEE C#Cc1cccc(N(CC)CCc2ccc3ccccc3c2)c1 1168104725 DIKBZEJBXWYBHK-UHFFFAOYSA-N 299.417 4.890 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccccc1OC(C)C 1171920487 HUOADZLTHOVBGT-FUHWJXTLSA-N 287.447 4.698 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(C)c(F)c1 1183951493 ZONXFQZFGKRXDQ-OAHLLOKOSA-N 265.416 4.973 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](CC)c2ccccc2)c1 1220336616 BYMHIIGVNSBUKP-SFHVURJKSA-N 294.398 4.993 30 10 CJEE C=CC[C@@H]1CCN1[C@H](C)c1ccc(C(C)(C)C)cc1 1308138942 APTLFYQYYDOFFE-RHSMWYFYSA-N 257.421 4.696 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccccc1CCC 1310027345 FMBOQOMQPKLZPJ-INIZCTEOSA-N 286.419 4.602 30 10 CJEE C=C(C)CCC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 1336055145 PJZVRAWWIYWYQS-CYBMUJFWSA-N 289.272 4.554 30 10 CJEE C=CCCC[C@H](Nc1nc(C)cc(CC)n1)c1ccccc1 1458558360 FZIYCHVKLLCYHB-SFHVURJKSA-N 295.430 4.857 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(CSCC)cc1 1460144067 IGJMKZJAQAOERS-UHFFFAOYSA-N 289.444 4.647 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cc(OC)c2ccccc2c1 1462635984 HEQPAUCAWNMHMP-GJZGRUSLSA-N 283.415 4.854 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@]1(C)CCC[C@@H]1C 1518875715 SLXNTHCCPMJICD-KBXCAEBGSA-N 271.404 4.570 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(\C)c1cccc(Cl)c1 1519988822 GBVPOWUNEMLNQC-CMPYXILNSA-N 291.822 4.604 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@@H]1CCCCCC 1560836532 ARZDEXVVPPZPPN-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC1(CNC(=O)/C=C(\C)c2ccccc2C)CCCC1 1568998525 NDGLPSMCUMGSIZ-SAPNQHFASA-N 297.442 4.651 30 10 CJEE C=CCCCCCCCCNC(=O)C1CCCCC1 1584160764 DYQISINLQMRLLW-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1 1616751824 AUESGTDYRLCMDP-UHFFFAOYSA-N 279.383 4.897 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2cccc(Cl)c2)C(F)F)C1 1621522552 FKHNLBKFMCKGSF-BYCMXARLSA-N 299.792 4.981 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1 1640180185 SUSHIDCBCMKUSH-UHFFFAOYSA-N 290.366 4.762 30 10 CJEE C=C(CC)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 1642425485 YUBDXCAOARCDAD-LJQANCHMSA-N 271.448 4.892 30 10 CJEE C=CCCCN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1642673527 YEGHJSYUPFUSNC-OLZOCXBDSA-N 285.353 4.753 30 10 CJEE C=CC[C@@H](C)NCc1csc(-c2ccc(Cl)cc2)n1 1656500530 FGSHLUYEUOCJQE-LLVKDONJSA-N 292.835 4.518 30 10 CJEE C=CCOc1cccc(CNc2ccc(C)cc2SC)c1 1657549996 NPPTZSWWSWLBQQ-UHFFFAOYSA-N 299.439 4.894 30 10 CJEE C=CCN(CCc1ccco1)[C@H](C)c1ccc2c(c1)CCC2 1657971090 DKCYZOBXZWFRPQ-MRXNPFEDSA-N 295.426 4.560 30 10 CJEE C#C[C@H](N[C@H](C)Cc1cccc(C)c1)c1ccc(Cl)cc1 1659929335 KGJRASIJRQQUBQ-BEFAXECRSA-N 297.829 4.544 30 10 CJEE C=CCC[C@H](CC)Nc1cccc(C)c1Br 1664414071 JJEYFOLZBWHXQU-LBPRGKRZSA-N 282.225 4.914 30 10 CJEE C=C(C)c1cccc(NC(=O)N2[C@@H](C)CC[C@@H]2CC)c1 1681067393 SJWYMGGRIPOACL-BBRMVZONSA-N 272.392 4.515 30 10 CJEE C=C[C@H]1CCCCN1C(=O)N[C@@H](CCCCC)C(C)(C)C 1684428025 UVRQOXURDLVMJN-HOTGVXAUSA-N 294.483 4.732 30 10 CJEE CCCCCCCOc1cccnc1NC(=O)CCCC 1858741210 NCSOWRFDCVMLTG-UHFFFAOYSA-N 292.423 4.560 30 10 CJEE 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CCCC[C@](C)(C#N)[C@H](O)c1ccc(C2CCC2)cc1 2240387073 PPMSAOGGZZVRGA-QZTJIDSGSA-N 271.404 4.708 30 10 CJEE C=C[C@](C)(CCCC(F)(F)C(F)(F)F)CNC1CCC1 2240411632 DGLBNPMGGBTUNZ-GFCCVEGCSA-N 299.327 4.689 30 10 CJEE CC=CC(=O)c1cc(Br)cc(C(C)(C)C)c1 2245043199 QQHDUHQNKJZQDW-UHFFFAOYSA-N 281.193 4.505 30 10 CJEE C=CCCCCCCCSC[C@H](N)[C@@H](C)CC 2250062217 NWEKJXPQZUIHEL-GJZGRUSLSA-N 257.487 4.620 30 10 CJEE C=C(C)CCCCn1nc(CC)c(Br)c1CC 2250147806 PDNZLSXLDAEGHW-UHFFFAOYSA-N 299.256 4.517 30 10 CJEE C=CCCSc1ccc(F)c(Cl)c1CNCCC 2258976544 RZCRSBGNIXLERV-UHFFFAOYSA-N 287.831 4.647 30 10 CJEE C=C(C)CCCC[C@H]1[C@@H](NCC)C[C@@H](C)C[C@H]1C 2259213703 WKDHSUIVWSTEJO-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE CC#CCCCCNCC[C@@H](C)CCCC(C)C 2259679641 WBGDXFIYKLGWST-KRWDZBQOSA-N 251.458 4.622 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2=CCCC2)C1 2264151840 PYOIOKCNDQXYNV-FVQBIDKESA-N 263.450 4.938 30 10 CJEE C=CCCC[C@@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264904975 PNVAGIXIYOUAQW-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE 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30 10 CJEE C[C@H]1C[C@@H]1CCCCCn1ccc2cc(C#N)ccc21 2284945147 IYJLWBGFSOWISO-HOCLYGCPSA-N 266.388 4.729 30 10 CJEE N#CC1(Cc2cccc(OC(F)(F)F)c2)CCCCC1 2286786278 VJWMHQMJZFMUFQ-UHFFFAOYSA-N 283.293 4.602 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)CCCCCC 2287393414 YXUBMIKHZQTPGC-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CSc1cccc(NC[C@@]23CCCC[C@@H]2CC3)c1C#N 2288991956 MLWGWOBYPYMTPA-DYVFJYSZSA-N 286.444 4.662 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H]1CC12CCCC2 2289686599 XJTJMVGNZYVKSL-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC(C)C1CCC([C@@](C)(N)C#CC2CCCCC2)CC1 2289712717 MOKSQMQTZMAYIX-ACBHZAAOSA-N 275.480 4.750 30 10 CJEE CC(C)NC[C@H]1CC[C@@H](C)C[C@@H]1CC#CC1CCCC1 2289873168 AYCLIFHBIANVGI-NZSAHSFTSA-N 275.480 4.621 30 10 CJEE N[C@H](CC#CC1CCCC1)c1ccc(C2CCC2)cc1 2289900848 IULLRLIHHCDNOU-LJQANCHMSA-N 267.416 4.538 30 10 CJEE C=C(C)CCCC[C@](C)(OCCCN)C(C)(C)C(F)F 2292788993 BMEPGRQIDPNRFM-INIZCTEOSA-N 291.426 4.538 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCN)[C@H]1CCCC(C)(C)C1 2293362849 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OTSJHYXRGBQJIG-HNNXBMFYSA-N 268.759 4.963 30 10 CJEE CC(C)CN(CC(C)C)C[C@](C)(CS)C(C)(C)C 2327098309 ZSVVGKJYPYNQDL-MRXNPFEDSA-N 273.530 4.583 30 10 CJEE C=C(c1ccccc1)[C@@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 2332480125 HYOILESFGJYYQZ-MZMPZRCHSA-N 258.405 4.523 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(C(C)C)cc1 2335104120 WCHJVESSGGBSML-HNNXBMFYSA-N 257.421 4.981 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C#N)COCC2(C)C)CC1 2336119171 UJEXKJVBJCBOHY-ZOBUZTSGSA-N 263.425 4.549 30 10 CJEE C=CCCCCCCC(=O)[C@@](C)(O)CCCC(C)C 2337729324 CNQKFZPGHXJPQA-KRWDZBQOSA-N 268.441 4.659 30 10 CJEE CCCC[C@H](CC)[C@H](C#Cc1cccs1)NCCC 2338392356 FMWMVBJLIWTZDU-RDJZCZTQSA-N 277.477 4.684 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)C)CCCC1(C)C 2338726585 CEDHPNIVBNWPAL-GOSISDBHSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(C2CC2)cc1 2338738817 PNHDYLOOTRZUHW-SFHVURJKSA-N 255.405 4.593 30 10 CJEE CCCCCCCCO[C@@H](C)CCCCNC1CC1 2340372167 INPCZYGDWSFXQS-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCC1CCC(C=O)(CC[C@@H]2CC[C@@H]2C2CC2)CC1 2342384658 VSILOBBMBAKPMA-FFDQMNFHSA-N 262.437 4.988 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1cc(Cl)ccc1C#N 2343114956 AGIAVCJWXYDRHL-GXTWGEPZSA-N 276.811 4.696 30 10 CJEE Cc1ccnc(COCCCCCCCCCS)c1 2343562963 PUGFHXADAZVDGF-UHFFFAOYSA-N 281.465 4.567 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCC12CCC2)NCCC 2344337744 UBPILPCXFDKZOI-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2344337970 VVWKHGQHKPBZJR-PNKHAZJDSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)[C@H](CC1CC1)C1CC1 2344341293 AMDMVNYPBSRBFW-SQNIBIBYSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CCC(C)(C)C(F)(F)F)NCCC 2344345823 OSBKDIVQXKSNLP-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](C)c1ccccc1)NC 2344349648 VGDNODJGYPPFDD-NXHRZFHOSA-N 259.437 4.761 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)ccc1OC 2344375051 ARTJDYGGRVMEDO-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)C(F)(F)F)NCCC 2344378411 GCAKFSHPHQCYNC-LBPRGKRZSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(C)c1C 2344383035 ZJOAKQOEHPGCEV-ZWKOTPCHSA-N 259.437 4.946 30 10 CJEE N#C[C@]1(CCC2(C(F)(F)F)CC2)CCCC(F)(F)C1 2344790472 XDEFASIXLXQMBU-JTQLQIEISA-N 281.268 4.828 30 10 CJEE N#CC1(CCC2(C(F)(F)F)CC2)CCC(F)(F)CC1 2344825546 LYZIJZQEVNOLAR-UHFFFAOYSA-N 281.268 4.828 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2cc(F)ccc2F)C1 2352117732 WDKGDEPJIXKMPP-UHFFFAOYSA-N 263.331 4.572 30 10 CJEE CC(C)C[C@@H](CS)COCC[C@H]1CCCCC12CC2 2353836244 YJBVPXLHAWHNBV-HZPDHXFCSA-N 284.509 4.956 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@](N)(CC#CC1CCCCC1)C2 2354163698 JOGXASJXSRJNSJ-CEXWTWQISA-N 273.464 4.648 30 10 CJEE C=CCCCCC[C@H](NN)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354879166 ILMQPLMECHBELU-XSLAGTTESA-N 278.484 4.561 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H]1[C@@H]2CCOC[C@@H]21 2355967741 OFJQBVWKPUUVQU-OWSLCNJRSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCC[C@@H]1C[C@@H]1C 2356072426 NVUDUJRQKGXVCE-MHORFTMASA-N 283.500 4.642 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H]1C[C@H]1C1CCCCC1 2357697305 UEECVXUHKDQILI-KSZLIROESA-N 275.480 4.621 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1OC[C@@H]2CCC[C@H]12 2358456110 XIUNFSMCYJTMAB-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)Sc1cc(NCC)ccc1[N+](=O)[O-] 2360344808 VEWSJPSZNOQSFT-UHFFFAOYSA-N 292.404 4.640 30 10 CJEE C=CCCCCN(C)c1ccc(C)c(Cl)c1CNCC 2360551906 UPTNGVCROXJDPJ-UHFFFAOYSA-N 294.870 4.550 30 10 CJEE CCCCCC(=O)Nc1ccc(C2(C#N)CCCC2)cc1 20497639 DASMNRZIWOIQTG-UHFFFAOYSA-N 284.403 4.541 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(C#N)cc2N)c1 35675064 LNQZJMIYRRDODL-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE Cc1ccc(SCCOc2ccc(CC#N)cc2)c(C)c1 37143591 IDFTUFHQZJMOCJ-UHFFFAOYSA-N 297.423 4.541 30 10 CJEE CCCN(CCC)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37145886 OXXVUDPNHNSHDT-ZACQAIPSSA-N 278.484 4.853 30 10 CJEE CC(C)(C)c1ccc(S[C@@H]2CCC[C@H]2C#N)cc1 37156522 FZLCRERGFQOEBJ-SWLSCSKDSA-N 259.418 4.768 30 10 CJEE N#Cc1ccc(N[C@@H](c2cccs2)C2CCCC2)cc1 37212206 RWNXERVBAXLDFL-QGZVFWFLSA-N 282.412 4.963 30 10 CJEE CCCC(C#N)(CCC)C(=O)N(C)C1CCC(CC)CC1 44824753 KVGSRNWSPXTSNS-UHFFFAOYSA-N 292.467 4.524 30 10 CJEE N#CC[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 55015041 RSMQBADYIBIYKY-HNNXBMFYSA-N 290.288 4.772 30 10 CJEE CCCCCCCCN(Cc1ccc(N)cc1)C(C)C 59267389 FWJZIYYIXGDPAR-UHFFFAOYSA-N 276.468 4.840 30 10 CJEE CCCCCCC[C@@H](C)NC1CCN(CCCC)CC1 59487403 LSWJQDHYKBHQIG-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CC(C)C(=O)[C@@H](C#N)c1ccc(C2CCCCC2)cc1 84657189 GICNTSWVJSWCPI-KRWDZBQOSA-N 269.388 4.567 30 10 CJEE N#CC1(Sc2ccccc2)CC2(CCCCC2)C1 87161523 MERNBWOHRXZCNT-UHFFFAOYSA-N 257.402 4.785 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)s1 91882223 SQKKBBDEFXDQLJ-GNHJJJEISA-N 291.460 4.836 30 10 CJEE CCCC(CS)(CCC)CN1c2ccccc2C[C@H]1C 94578446 CDNKAYJBOFDZTF-OAHLLOKOSA-N 291.504 4.954 30 10 CJEE CC(C)(C)C1CCC(C#N)(Cc2ccc(O)cc2)CC1 94691125 ZPSSZOJHFOGTCT-UHFFFAOYSA-N 271.404 4.681 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1 94826410 CXANPOGWLBBKLU-SECBINFHSA-N 292.716 4.663 30 10 CJEE N#CC1(Cc2cc(F)cc(F)c2)CCCCCCC1 97920696 UXZOUOIPMYTOQG-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE Cc1ccccc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103029798 KXTFYXYMUWSUIU-SEYXRHQNSA-N 279.383 4.927 30 10 CJEE CCCCCCCCOCCCC[C@H](C)NCC 106247026 RTQGTLAMJWKIDM-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1ccc(OC)cc1 109707977 CICPVYQTBHBDGW-SFHVURJKSA-N 277.452 4.706 30 10 CJEE CCCCCCCOCc1cc2ccccc2nc1NC 110100227 ZFNQMIHFHJTIPH-UHFFFAOYSA-N 286.419 4.764 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC2CCCC2)C1 110836767 SQPPTDNURXSNNR-RCCFBDPRSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@@H](N)[C@](C)(CC)N1CCCCC1 118163222 FVMSYWFKFBRRGW-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCn1ccc([C@H](C)NCC)c1 118239869 XMTKWEYUTXYQRW-INIZCTEOSA-N 264.457 4.909 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2cc(F)ccc2s1 122303237 NPMYAIJBJHJOSO-CQSZACIVSA-N 294.439 4.905 30 10 CJEE Cc1cc(Nc2ccc(C)c(C(F)(F)F)c2)ccc1C#N 126886770 HHTOOFSVODQPCV-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE N#Cc1ccc(NCCC2CCCCC2)c(C(F)(F)F)c1 127289189 VYCBOLIPVSWFGA-UHFFFAOYSA-N 296.336 4.959 30 10 CJEE N#Cc1c(Cl)cccc1OC[C@@H]1CCCc2ccccc21 128987991 UKFUWKSFTWRJAW-AWEZNQCLSA-N 297.785 4.711 30 10 CJEE CCCCCCCCC[C@H](NN)C1(OC)CCCCCC1 131087167 JZFSUPPPIPFMGH-KRWDZBQOSA-N 298.515 4.698 30 10 CJEE CCCC1CCC(C#N)(CCOC(C)(C)C)CC1 133661967 GPLDWICSMCHLMC-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CCC[C@@H]1N 136306858 ACQYRFLJIOISCQ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(F)c(F)c1)NC 147351131 AASQKDLKUXKOTD-OAHLLOKOSA-N 283.406 4.846 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OCCC)c1 158101907 RUNUJCNKKHUFNF-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CCCCO1 159122172 LNEUAYSJTZWZST-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(C(F)(F)F)c1)NCCC 164634433 FRFQJXRBFYCETI-INIZCTEOSA-N 299.380 4.972 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(F)c(Cl)c2)C1 164698599 GFFMWIJWEHGZCW-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE CCCCCCCOc1c(C)cccc1CNCCC 165213534 RUEATDFKYCMBJK-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE C=CCCC[C@H](NCCC)[C@H](CC)c1ccccc1 167704812 UGZUWBJWUFRZDF-MSOLQXFVSA-N 259.437 4.905 30 10 CJEE O=C1/C(=C/c2ccccc2)CC[C@@H]1Cc1ccc(Cl)cc1 169450127 NMFZBGCRNTWPFG-NWNNTGRJSA-N 296.797 4.945 30 10 CJEE C=C(/C=C/CCC[C@@H]1CCCC1=O)C[Si](C)(C)C 205187139 GGVZRBAZHGBTTA-RZIFZGNASA-N 264.485 4.977 30 10 CJEE CCCCCC[C@H](C)O[C@@H]1CCC[C@](C#N)(NCCC)C1 227320597 CNKWNRRZTLWHNV-KSZLIROESA-N 294.483 4.566 30 10 CJEE C=CCC[C@H](C)Nc1ccccc1SC(F)F 228817289 WZUMAKWVZUWTGU-JTQLQIEISA-N 257.349 4.768 30 10 CJEE CCCCCCCC(=O)c1c(C)cc(C)cc1OC 232936059 JRQLWVWOPLXAKW-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE N#C[C@@H](COc1ccc(Cl)c2ccccc12)C(F)(F)F 236134048 HHTNAEHKFNGLEB-VIFPVBQESA-N 299.679 4.574 30 10 CJEE C[C@H]1CC(OC[C@H](CS)c2ccccc2)C[C@H](C)C1 252177491 SHIHRPZKVAAJCE-IIAWOOMASA-N 278.461 4.541 30 10 CJEE Oc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 254365212 VDLJAOBPFPHSPI-UHFFFAOYSA-N 288.350 4.886 30 10 CJEE Clc1ccccc1N=Cc1ccc2ncccc2c1 254707230 RZANIAPJFWWEMW-UHFFFAOYSA-N 266.731 4.639 30 10 CJEE CC(C)n1cc([C@@H](C)C#N)c2c(C(F)(F)F)cccc21 260127039 TWXCPUCRVSJPDQ-JTQLQIEISA-N 280.293 4.868 30 10 CJEE CC(C)(C)C#CCC(=O)c1c(Cl)cccc1Cl 304123226 BLAWNTVZNDCDNK-UHFFFAOYSA-N 269.171 4.616 30 10 CJEE C=CCCCCCCNCCSc1ccccc1 310703692 RMZPMDXLEHJBNH-UHFFFAOYSA-N 263.450 4.505 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2ccccc2C(F)(F)F)C1 311342172 LAKZJCJYMHPVLZ-BXUZGUMPSA-N 267.294 4.677 30 10 CJEE C[C@H]1CC([C@@]2(C#N)CCCc3ccccc32)C[C@H](C)C1 312631811 IQURWMHHMQVMCB-CLCXKQKWSA-N 267.416 4.857 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CCCCO1 315072756 OXBMYIJIPGFHRM-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE O=CC1(Cc2csc3ccccc23)CCCCC1 317027459 QFEYRWZLHATQNH-UHFFFAOYSA-N 258.386 4.593 30 10 CJEE CCCCCCCCCCCC[C@H](CN1CCC1)NC 328497673 RHZNJWHCLKVFPA-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CCCC[C@@H](NCC)c1c(C)cccc1Br 380034732 QDIDWDLZGMREIT-CQSZACIVSA-N 296.252 4.764 30 10 CJEE C=C([C@H](NCCC)C1CCCCCCC1)C(F)(F)F 382330489 ULAPGRLQPVQVPY-AWEZNQCLSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCNC[C@H]1CCCc2ccccc21 383835242 SUBQAQJIHYDHQX-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 385327036 NPPYXCHGMNCKHS-AWEZNQCLSA-N 284.230 4.694 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CC1CCCCC1 388931790 SREYIHVYHLHTBO-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CC[C@@H](C)N(CC[C@@H](C)CCS)Cc1ccccc1 395714217 RIYMKERXHLJYGY-HZPDHXFCSA-N 279.493 4.633 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1O 402249974 HQOYYBALWTUWPI-ARFHVFGLSA-N 282.468 4.571 30 10 CJEE N#CCCCOc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1 507469081 JGNNCARXNKHOBF-MOPGFXCFSA-N 298.430 4.750 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@]1(C)CC1(F)F 689122750 FYTDKYMPBQZDLK-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)cc(F)c1F 690968693 CPKMTAWTEQXDHH-AWEZNQCLSA-N 299.792 4.708 30 10 CJEE CCc1ccc(NCc2cccc(C#N)c2F)cc1Cl 691229803 KVLDDKSSTSUHPC-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693317839 BRYCKZYBMJSZNL-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1ccsc1 695661805 SHMSSYQZALSTBB-ZDUSSCGKSA-N 276.792 4.836 30 10 CJEE C=C([C@H](NCCC)[C@@]1(C)CC[C@H](C)C1(C)C)C(F)(F)F 699105633 HKZYJMYSNRKGDS-CORIIIEPSA-N 291.401 4.936 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1CCC[C@H](CC)C1 704005589 KSSAECMFQDTNHF-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C[C@H](Cn1ccc2c(C#N)cccc21)CC(C)(C)C 709266888 XCYVLNGIDFPPEI-ZDUSSCGKSA-N 254.377 4.585 30 10 CJEE C=C(CN[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 714288919 FJJZWHBNADBGSQ-IPMKNSEASA-N 269.432 4.648 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(CC)s1 715702290 BLMCUBHZPPHMAT-WFASDCNBSA-N 251.439 4.563 30 10 CJEE C=CC[C@@H](C)C(=O)C1(c2ccccc2)CCCCC1 715735391 CHHUFKDZNHSIDD-OAHLLOKOSA-N 256.389 4.670 30 10 CJEE CCSc1cccc(NC2(C3CCC3)CCC2)c1C#N 717875756 KUHZETQXSNGPDH-UHFFFAOYSA-N 286.444 4.805 30 10 CJEE CC[C@@H](CC1CCCCC1)Nc1ccccc1C#N 720944865 QTSJKFZSRKMQMP-INIZCTEOSA-N 256.393 4.719 30 10 CJEE C=C1CCC(COc2cc(C)ccc2Br)CC1 724573037 FGWCAKYIDVYJTR-UHFFFAOYSA-N 295.220 4.883 30 10 CJEE N#CCCCn1ccc2c(-c3cccc(Cl)c3)nccc21 821289155 BJIDVDXTISTWGM-UHFFFAOYSA-N 295.773 4.660 30 10 CJEE Cc1cc(C)cc(N=Cc2ccc(Br)cc2)c1 1083914135 CGYHPKOOAHPWDD-UHFFFAOYSA-N 288.188 4.817 30 10 CJEE C=CC[C@H](C(=O)NC[C@H]1CCC=CCCC1)c1ccccc1 1134766925 RBDGLKPVTJUTQE-HKUYNNGSSA-N 297.442 4.599 30 10 CJEE C=CCCCN(CC)C(=O)C1=C(c2ccccc2)CCCC1 1134802376 UGZPLDNRYRJDET-UHFFFAOYSA-N 297.442 4.829 30 10 CJEE C=C(C)CCC(=O)N(CCCCCC)Cc1ccco1 1134899713 SBIHTCWRTOWYBQ-UHFFFAOYSA-N 277.408 4.545 30 10 CJEE C=C(C)CN(CC(C)C)[C@H](C)c1ccccc1Cl 1170245417 VWJNBRFMCQYVLX-CQSZACIVSA-N 265.828 4.935 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cccc(CCC)c1 1202797631 NEGIJVCQPQBHNY-OAQYLSRUSA-N 293.454 4.916 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccc(F)cc2Cl)C1 1205981080 WJZBBVXGJYLJOR-BZPMIXESSA-N 281.802 4.875 30 10 CJEE C=CC[C@H]1N(C(=O)C2CCCCCCC2)CCCC1(C)C 1270792050 CTKKPIZIWDCBMJ-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(N2CCCC2)cn1 1308830767 SPSLNQITEMVNGX-MRXNPFEDSA-N 287.451 4.619 30 10 CJEE C=CCCCCCCNC(=O)c1csc2ccccc12 1436189588 IPLRFJGDZJMWJM-UHFFFAOYSA-N 287.428 4.768 30 10 CJEE C=CCCCCN1CCC[C@@]1(CC)Cc1ccccc1 1460412732 WIJUGKQEIXQDMP-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@H]1CC 1461985242 DWGUWKLNAWBPQC-UXHICEINSA-N 296.458 4.763 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](CCC)C2CCC2)c1 1467477386 GQCJWIROQJHSHB-QGZVFWFLSA-N 286.419 4.810 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@H](C)C1CCCCCC1 1469744512 KWJCOKPUQMCLPB-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CCCCCCN1CC[C@@H](C)[C@H]1c1ccccc1 1473783494 KNENBLNCNYTAGH-AEFFLSMTSA-N 257.421 4.816 30 10 CJEE C=CCN(Cc1cccc(C2CC2)c1)Cc1ccccc1F 1474366440 QKTGERTUJXPJAV-UHFFFAOYSA-N 295.401 4.891 30 10 CJEE C=C(C)CN(CC)C(=O)C=C1CCC(C(C)(C)C)CC1 1524200580 LAUARJCBHMSATK-UHFFFAOYSA-N 277.452 4.574 30 10 CJEE C=CCCCCCCNC(=O)c1ccccc1CCC 1525671309 DBSMMNJQKYWSKA-UHFFFAOYSA-N 273.420 4.505 30 10 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CC#CCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 1885235263 DSESNFRQQWPMJD-CYBMUJFWSA-N 298.257 4.708 30 10 CJEE CCCCCCCCN(C)c1ccc(Cl)cc1C=O 1887061223 PXMPSHFEVVBHLQ-UHFFFAOYSA-N 281.827 4.949 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1csc2ccccc12 1888706375 WGDREVFFTHIAQU-QGZVFWFLSA-N 266.365 4.648 30 10 CJEE CC=C(CC)C(=O)c1cc(C(F)(F)F)ccc1C 1912064725 RJJUHMSKDTZNDT-UHFFFAOYSA-N 256.267 4.553 30 10 CJEE C=C[C@H]1CCCCN1c1cc(Cl)ccc1[C@@H](C)NCC 1916790398 NVCIZXLHNWWFTJ-HIFRSBDPSA-N 292.854 4.555 30 10 CJEE CCCCCCCC[C@]1(F)CCC[C@@]12CCNC2 1918324598 FQFFWAHHDOZXQL-HOTGVXAUSA-N 255.421 4.609 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)c1ccc(C)o1 1918984200 KZBMBPRIFLMSRX-KRWDZBQOSA-N 280.408 4.505 30 10 CJEE C=CC[C@@H](C)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1919648635 OBELTFJJDNPCHC-OXQOHEQNSA-N 296.410 4.685 30 10 CJEE C[C@H]1CC(C[C@@]2(C=O)CCCC23CCC3)C[C@H](C)C1 1921623726 FNSZLVORFAZSDD-IIDMSEBBSA-N 262.437 4.988 30 10 CJEE C=C([C@H](N)C1CCC(CCCC)CC1)[Si](C)(C)C 1922861206 VIKOCLORXVPNIE-GPANFISMSA-N 267.533 4.744 30 10 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CC(C)(C)CC[C@](C)(O)CC#CC1CCCCC1 2032519943 IWCXLZMOHQWZJO-QGZVFWFLSA-N 250.426 4.538 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCCC(F)(F)CC1 2038280408 VUZJBMLAWPGYBO-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(Cl)cc1C 2040528150 ASLFNHVKCNTGMI-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)cs1 2040779101 POAFXEYOPASMBD-ZDUSSCGKSA-N 283.868 4.882 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@H]2CCC=CCCC2)CCS1 2045342366 IUUSLFPVMFDYQQ-PMPSAXMXSA-N 266.450 4.614 30 10 CJEE CC1(C)CCC(C#N)([C@H]2CCCC(F)(F)C2)CC1 2045463248 VLDZERSQTVBAPL-LBPRGKRZSA-N 255.352 4.922 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1ccc(Cl)s1 2045990096 PWUQVGCIRGNSNK-ZIAGYGMSSA-N 285.840 4.719 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H]1CC(C)(C)OC1(C)C 2045996546 CBIPXIIYAHIPAR-CZUORRHYSA-N 251.414 4.690 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(C)cc2Cl)CCC1 2049037311 GXUBUWBAKLXAPP-OAHLLOKOSA-N 263.812 4.655 30 10 CJEE C=CC1(C[C@H](NCC)[C@H](CCC)C(C)C)CCC1 2049037370 HPRUCBGRXHGBSY-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC1(C[C@H](NCCC)c2cc(Cl)ns2)CCC1 2049038495 UQUVIPVBNKBSSO-NSHDSACASA-N 284.856 4.584 30 10 CJEE CC(C)c1ncc(C[C@]2(C#N)CCC[C@H](C)C2)s1 2052786755 VCLSGRYYYVZYFB-WFASDCNBSA-N 262.422 4.529 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1csc(C(F)F)c1 2053063058 KHZRWUXSMSQNQL-PWSUYJOCSA-N 273.392 4.939 30 10 CJEE CCCCCCCCCCn1cccc(Cl)c1=O 2054013236 DIWFXQHRGYXWPD-UHFFFAOYSA-N 269.816 4.642 30 10 CJEE N#C[C@H](c1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1F 2055233435 ACWXNPGHATZPLG-SCRDCRAPSA-N 269.722 4.615 30 10 CJEE CC1=CC(=O)[C@H](C[C@@]2(C)CCCCC2(F)F)CC1 2055530957 DIXGKSCNVKZSAF-GXTWGEPZSA-N 256.336 4.518 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@H](CC)CC(F)(F)F)CC1 2061170869 KTBYTIUHNGSTAE-GHMZBOCLSA-N 262.315 4.671 30 10 CJEE C=C1CC(CC[C@H](NCC)c2ccc(Cl)cc2)C1 2061739275 LZABVHHWBPKJAA-INIZCTEOSA-N 263.812 4.737 30 10 CJEE CCCCCCCCC[C@@]1(F)CN[C@H]1C(C)(C)C 2076153220 LIGNHFWQHZINKX-GOEBONIOSA-N 257.437 4.853 30 10 CJEE C[C@H](CCS)CCOC[C@H]1C[C@H]1C1CCCCC1 2080291027 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2092595555 VFPZFLXLFYGDIW-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCC[C@H]1C(F)(F)F 2092595814 WTQSYDHCZYSTFU-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@@H](N)C1(COC)CCCCC1 2094187776 OVNZHTRGDDAQCJ-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE Cc1cc(C#N)ccc1NCCC1(C)CCCCC1 2094200064 PAQOLCIKTKBRCH-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)c1 2095352866 FCFVGPWAEOWQLW-KCQAQPDRSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C(F)(F)C12CCCC2 2097492686 TVYYCNJUAKKHOD-KBPBESRZSA-N 273.411 4.903 30 10 CJEE CC(C)CCCCN=C1NC[C@H](CC(C)(C)C)CS1 2100095873 GYZFDPFWSBGCJQ-AWEZNQCLSA-N 284.513 4.558 30 10 CJEE CC1(C)CCC[C@](C=O)(CCC[C@H]2CCCO2)CC1 2100875567 XVHJJOHFICAKFV-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)C1(C)CCCCC1 2101396622 OARFDJDEIKCQIR-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1C 2102113100 XCYXZVICMWFMGM-MAUKXSAKSA-N 259.437 4.946 30 10 CJEE CCCC[C@](C)(C#N)[C@@]1(O)C[C@H](C)Sc2sccc21 2108208057 UDYRZWMNYOORRE-NILFDRSVSA-N 295.473 4.540 30 10 CJEE Cc1cc([C@H](O)C(=O)C2=CCCCCCC2)sc1Cl 2109069814 MIUKAKVRYUMUNX-AWEZNQCLSA-N 298.835 4.593 30 10 CJEE O=C[C@]1(C[C@@H]2CC23CCCCC3)CCCC12CCC2 2109398409 MWVAKXQOERWRCU-MAUKXSAKSA-N 260.421 4.886 30 10 CJEE C=CC1(C[C@H](NC)c2cc(Cl)cc(F)c2F)CCC1 2111708971 RVVRIUMABIIMFY-ZDUSSCGKSA-N 285.765 4.625 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(C)(C)F 2112669631 DSGPCBISEWMYRU-HNNXBMFYSA-N 274.468 4.877 30 10 CJEE CCCCCCCCCN(CCC#N)CC(F)(F)F 2114338882 YVRNAEVJSHTMSL-UHFFFAOYSA-N 278.362 4.515 30 10 CJEE CCCCCCCN(C)Cc1ccc(C(F)(F)F)o1 2115761237 DAWDCYSTRHDXPQ-UHFFFAOYSA-N 277.330 4.701 30 10 CJEE C=CCC[C@H](C)[C@]1(CNC2CC2)CCCCC12CC2 2116980253 GKBHNCJBAGTIEL-MAUKXSAKSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2sncc2c1 2120628271 OIQJSJRDAWPCCJ-HNNXBMFYSA-N 276.449 4.917 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CN=[N+]=[N-] 2123014074 DEYWPQZLDFAXCU-HNNXBMFYSA-N 266.433 4.902 30 10 CJEE 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CCCCCCC[C@@]1(OCCN)C=CCC2(CCC2)C1 2294360769 GWIUNQQSEFXPIJ-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H]1CC)OCCCN 2294539943 ZCKKKAHWSHSJBZ-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@]12CO[C@](C)(C1)C2 2295581191 ZYFOTOMLJNNMAV-OKZBNKHCSA-N 281.484 4.804 30 10 CJEE CCCCCCCCC[C@@]1(C)C(=O)CCN1C1CCC1 2295678085 XECFFJZMSPVNIN-SFHVURJKSA-N 279.468 4.713 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CC(C)C)C(=O)O 2295679449 PKXOXQZRNQXEHA-DOTOQJQBSA-N 286.456 4.625 30 10 CJEE C=CCN(CC)CCCCCCCCCCCNCC 2296287218 UEWBIPHBSQLYOS-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE O=C(C=Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 2297580430 UNDHHAFPQVOTKS-UHFFFAOYSA-N 284.374 4.624 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(F)c(Cl)cc1Cl 2306198098 XYJPLTUAGXWOTB-ISVAXAHUSA-N 276.182 4.735 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(CCC)s1 2316106773 CSOWEMMZQQFWEB-DZGCQCFKSA-N 265.466 4.954 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1cccc(Cl)c1Cl 2316738481 IHKDFVOJJGGEQG-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE C=C[C@H](C)C[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2318628991 HTQOZWVEBYAHPJ-NHYWBVRUSA-N 286.246 4.856 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)cc1C 2321126690 CHPIPIOEBWCYDW-ZBEGNZNMSA-N 265.828 4.820 30 10 CJEE O=C(C=Cc1ccc(O)cc1)c1ccc(Cl)cc1Cl 2325790662 KMVLIGSMTKRPGE-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE Cc1ccc(C(=O)C(=CO)N=Nc2cccc(C)c2C)cc1 2333266713 LQGWWBWDOXENJI-UHFFFAOYSA-N 294.354 4.978 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335113398 CAVYRNZUCVLTLP-HNNXBMFYSA-N 281.827 4.664 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCC2(CCCCC2)C1 2338736240 SIQUTSYPCCPYGQ-QGZVFWFLSA-N 261.453 4.942 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@]12CCCC[C@@H]1CCC2 2338743286 DJVGOZFHDQDJSM-SQNIBIBYSA-N 261.453 4.703 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC2CCCCCC2)C1=O 2338928634 BWECIGCOOLKRHP-KRWDZBQOSA-N 261.409 4.636 30 10 CJEE C[C@@H]1CC[C@](C=O)(CC(C)(C)Cc2ccccc2)C1 2339405287 WIYHBTLXRXWQKH-CRAIPNDOSA-N 258.405 4.651 30 10 CJEE C=CCCCN(CC)CC(C)(C)Cc1ccccc1 2339505997 QVBYSGDJHKBEGW-UHFFFAOYSA-N 259.437 4.543 30 10 CJEE CC(C)c1cccc(C[C@@]2(C=O)CCCC[C@@H]2C)c1 2343745077 HWOSZXHNGQMXBZ-MAUKXSAKSA-N 258.405 4.748 30 10 CJEE CCCC[C@](C)(C=O)Cc1cccc(C2CCC2)c1 2343808874 WBUXNHTZGZQXKG-SFHVURJKSA-N 258.405 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(C)c2ccccc12 2344476751 NJUGCCNKICUCGL-KRWDZBQOSA-N 254.373 4.784 30 10 CJEE C#CCCN(CC[C@H]1CCC(C)(C)C1)CC(C)(C)C 2344822313 ILQRZVSNIRVJFJ-MRXNPFEDSA-N 263.469 4.574 30 10 CJEE C[C@H]1CCC[C@@H](N(C)CC2(CS)CC(C)(C)C2)CC1 2345011006 PQXHNRZHWADBGA-LSDHHAIUSA-N 283.525 4.623 30 10 CJEE Cc1cc(CN(C)C[C@@](C)(CS)C(C)(C)C)sc1C 2352080399 BBHOXVUIOJVVTK-INIZCTEOSA-N 299.549 4.779 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2352745334 OZJBEERAUDMSHV-MQYQWHSLSA-N 276.342 4.751 30 10 CJEE CCCCCC#CC[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137751 XPSAPXDIXOMDOW-VJANTYMQSA-N 276.464 4.928 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2359662198 QKJONLSLGQMBSA-QKPAOTATSA-N 285.422 4.782 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@H]1SCC(F)(F)F 2360231018 RWNXVYWDLAQFOG-MELADBBJSA-N 299.361 4.758 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC2(CC2)[C@H]1NCC 2360325177 VUWXMYLAADHYLG-IRXDYDNUSA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)N[C@H]1CCC(C)(C)c2ccccc21 2360344416 SLZJCRGLUDFOLH-SFHVURJKSA-N 269.432 4.910 30 10 CJEE C=CCC(CC=C)Sc1ncccc1CN[C@H](C)CC 2360378017 YGRDBPRIHSZLFE-CQSZACIVSA-N 290.476 4.583 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC)Cc1ccccc1 59090505 VHTIVMFAKZFPKA-LJQANCHMSA-N 290.495 4.586 30 10 CJEE CCCCCCCCN(Cc1cccc(N)c1)C1CC1 59267410 RXKPGSFSUHTVHA-UHFFFAOYSA-N 274.452 4.594 30 10 CJEE CCCCCCCCCCCC[C@H](O)Cn1ccnc1 59657920 ISXSIAYUMWRAON-KRWDZBQOSA-N 280.456 4.555 30 10 CJEE Cc1oc(-c2ccc(Cl)cc2Cl)cc1CC#N 77073287 JXCFMUYBPPFBRM-UHFFFAOYSA-N 266.127 4.628 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Br)cs2)C1 83791911 PEFNDQYCQKAEFT-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cccc(Cl)c2C#N)C1 85066274 MHNJTQHKZSHOTC-RYUDHWBXSA-N 262.784 4.592 30 10 CJEE SCC1(COCc2cccc(Cl)c2)CCCCC1 94585881 UTZMADSEJPIPIG-UHFFFAOYSA-N 284.852 4.737 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1cc2ccccc2[nH]1 94629349 OJYJAXHNVKTSIM-ZFWWWQNUSA-N 270.401 4.732 30 10 CJEE CCCc1ccccc1Nc1cccc(Cl)c1C#N 104016906 AWRFKUGEDKEGDU-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE C#CC[C@H](CCC)c1cc(OCC)c(OCC)cc1F 107488606 DYSRTGJSDQZSHW-CYBMUJFWSA-N 278.367 4.530 30 10 CJEE CCCOc1ccc(C[C@H](C)CS)cc1C(C)C 107597426 FONSGVCZYRBDSU-ZDUSSCGKSA-N 266.450 4.707 30 10 CJEE CCCCCCCCOc1cccc(C[C@@H](N)CC)c1 109764326 XVEAAEQVCKNCHA-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CCCCCCCO[C@@]1(CNCC)CCC[C@@H](C)C1 110067905 BPCFOPMWGFAKTK-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[S@@](=O)c1ccccc1F 113540185 PRMFLUZLEOCRQN-SFHVURJKSA-N 270.413 4.684 30 10 CJEE CCCCCCCCCCCC[C@@]1(CN)CCC[C@@H]1O 115827573 BXOCRYAKBJSFJU-ROUUACIJSA-N 283.500 4.787 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(OC)c(OC)cc1C 115860017 WWLIBJTWZUVOTI-MRXNPFEDSA-N 294.435 4.796 30 10 CJEE CCCCCCC[C@@H](O)CSc1cccc(C)c1 117421574 ICPDGFPMHWLRJC-OAHLLOKOSA-N 266.450 4.809 30 10 CJEE CCCCCCCCCCSC(C)(C)C(=O)O 124995604 SBQQTRZHBHCISO-UHFFFAOYSA-N 260.443 4.724 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C[C@@H](N)CC 128774353 GSCTUQHRQPVAMA-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(F)cc1C 130201536 RCWXZTBTDWWXHW-KRWDZBQOSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCC[C@H](NN)C(C)(C)CC 131282288 LDXVZGHUWVJKJP-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC(C)(C)C[C@H]2C)CC1 132207454 WLZSIHJMROYODM-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H](C)OC)NC 134464894 ZOKLVBIMJJLPBI-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C[C@@H](NCc1ccc2ccccc2c1)c1ccc(C#N)s1 134823292 IMBXLJQTDPRURE-CYBMUJFWSA-N 292.407 4.624 30 10 CJEE C=CCC[C@@H](C)Nc1cc(F)c(Br)cc1C 135227973 FVTBWIPUBOKKMK-SNVBAGLBSA-N 286.188 4.663 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(C)nnc1CC 135352123 KRAPIZLMIOHKMS-QGZVFWFLSA-N 278.440 4.522 30 10 CJEE CCCCCCC[C@@](C)(O)CCCC(F)(F)F 157854599 KPZUZMMKNPYOJC-GFCCVEGCSA-N 254.336 4.831 30 10 CJEE CCCCCCCCN[C@@H]1C[C@@H](OCC)C12CCCC2 159205842 GZZGSABVAKMDDK-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@@H](O)Cc1cccc(Cl)c1F 162103433 GJASOXXQXLRHRN-CYBMUJFWSA-N 272.791 4.743 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@](C)(CC)OC 163392760 VNBGVDBQLYZSDE-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(Cl)c1F)NCCC 164740071 IVWLXCOECDLQQP-AWEZNQCLSA-N 283.818 4.746 30 10 CJEE Cc1ccc(N/N=C/c2c(C)n(C)c3ccccc23)cc1C 169876833 NWNKYSZAZNUJJR-UDWIEESQSA-N 291.398 4.550 30 10 CJEE C#CCOc1ccc([C@H](C)N[C@H](CC)c2cccs2)cc1 178709063 JRLBPRSPIQWUMT-WMLDXEAASA-N 299.439 4.562 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](CC)c1cccs1)c1ccccc1 179040800 IQYRVBCAWAFVRM-ZBFHGGJFSA-N 299.439 4.675 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H]2C2CCCC2)C1 222803725 WKMIQQIFWKXHAJ-OWYHZJEWSA-N 288.479 4.750 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)CCCC(F)(F)F)C1 226144558 GSBHMQLBYJXOPF-HZSPNIEDSA-N 291.357 4.580 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OCCC)c(Cl)c1 228824657 HTPIUYGSVVPUFY-GFCCVEGCSA-N 267.800 4.895 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](N)c2cc(OC)ccc2O1 229119408 HUOQNIOVDIEDLH-FUHWJXTLSA-N 291.435 4.597 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CC[C@@H]2NC 232412041 VYIVZUARWGFWHJ-SFHVURJKSA-N 275.436 4.633 30 10 CJEE N#C[C@H]1CCCC[C@H]1SCc1ccccc1Cl 236041309 QDVLDNLSMQCEOE-BXUZGUMPSA-N 265.809 4.656 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(C(F)(F)F)cc1 236302844 YBENGLNRYIYBCU-AWEZNQCLSA-N 271.326 4.842 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 248925275 XUVRJOCMQKXQIS-PIIMJCKOSA-N 297.442 4.913 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCCC 252774257 WLDXFVGCVWFBGU-SQNIBIBYSA-N 277.496 4.868 30 10 CJEE N#CCCC(F)(F)c1ccc(-c2ccccc2)cc1 258944257 CWMWITWBEFSDHQ-UHFFFAOYSA-N 257.283 4.749 30 10 CJEE C[C@@H](CC#N)c1csc2ccc(C(F)(F)F)cc12 259966447 IEKNOTAXQWURAV-QMMMGPOBSA-N 269.291 4.937 30 10 CJEE CC(C)n1c([C@@H](C)C#N)cc2cccc(C(F)(F)F)c21 260276210 LMQUPOJDLDXYIT-JTQLQIEISA-N 280.293 4.868 30 10 CJEE CCCCCCCCC[C@H]1CC[C@@](C)(CC#N)O1 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271.395 4.536 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@]12C=C[C@@H](CC1)C2 2271798154 OCOARMDZARHUFL-BZSNNMDCSA-N 261.453 4.847 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCCc2ccncc2)C1 2272109231 XADLBYJWTQSOHX-KRWDZBQOSA-N 256.393 4.514 30 10 CJEE C=C[C@H](C)CCN[C@H]1CCCC[C@H]1C1CCCCC1 2273029686 BCVBWQINXRRMLJ-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@H](N)c1cnc(C(C)(F)F)s1 2273622958 JCEBMJONXKZQGF-NSHDSACASA-N 288.407 4.781 30 10 CJEE CC1(C)CCC[C@H]([C@H](O)CC#CC2CCCC2)CC1 2274121321 JNFZKGOUADOUFT-DLBZAZTESA-N 262.437 4.538 30 10 CJEE C=CCCCCCC[C@@H](CC(C)(C)C)OCCCN 2276144704 IESFVEJQKCXIEW-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(CC1(CC)CC1)OCCN 2276164173 GTIOCUASLZHHRN-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](O)[C@@H](C)CC 2278228021 DJLYDQQNDNRKDG-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC1(C)CC(C)C1)NC 2279456864 ICEPKYXWIRDTTH-SAGYGOJTSA-N 283.500 4.512 30 10 CJEE N#C[C@]1([C@@H](O)c2csc(C3CC3)c2)CCCCC12CC2 2283059584 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30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]12COC[C@H](C1)C2 2295681960 LKLSCRGYWMOJKA-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](n2nc(Cl)c3ccccc32)C1 2296399223 NHKNDZNSMPDCFP-TYNCELHUSA-N 287.794 4.581 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1c(F)cccc1Cl 2304121046 YHUTVSLQZGTPSO-UONOGXRCSA-N 256.748 4.505 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(Cl)cc(F)c1Cl 2304121245 ZWNLWACDUDOOLZ-LBPRGKRZSA-N 277.166 4.768 30 10 CJEE C=CCC[C@H](C)[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2309181793 GSEXSRIAYHILGH-WOYTXXSLSA-N 250.426 4.556 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C 2310187208 PTNQQVMYIJLOKH-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1[C@H](C)NCC 2313688382 GFWXBDOBSHGPMT-NEPJUHHUSA-N 267.413 4.553 30 10 CJEE C=C[C@](C)(CNCC(C)C)CC1CCCCCC1 2316934200 CZZYCBXWSNSCAJ-KRWDZBQOSA-N 251.458 4.785 30 10 CJEE CCC(=NOCc1ccc(Cl)cc1)c1ccccc1 2318633170 JRNVBHNUPXTAJK-UHFFFAOYSA-N 273.763 4.671 30 10 CJEE CC(CCc1ccccc1)=NOC(=O)CC1CCCCC1 2318775290 DKFXPFRBFZOHLS-UHFFFAOYSA-N 287.403 4.509 30 10 CJEE CCCCCCCN(C)CC[C@@H]1CC[C@@H]1C1CC1 2319611967 JIAGXKQRULDLDI-DLBZAZTESA-N 251.458 4.715 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(F)cccc1Cl 2321107396 GIURSUBYHWZESN-HUUCEWRRSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C(F)(F)F)s1 2321126491 BBBXKBJLDRRUPP-LLVKDONJSA-N 277.355 4.630 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CCC[C@@H]1C 2321132169 XBHSWNHMVMUTPA-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)cc1CC 2321144227 GQAPZWKVMRXXIG-OAHLLOKOSA-N 265.828 4.765 30 10 CJEE CCCCCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@]2(C)N 2327773599 LXUAKSIYWGSCAC-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE C=C(Cl)[C@H](O)CCC1CCC(CC(F)(F)F)CC1 2327946774 HBEIYRLYAUGXJN-HTAVTVPLSA-N 284.749 4.639 30 10 CJEE SC[C@@H](COC[C@@H]1C[C@H]1C1CCCCC1)C1CCC1 2332863522 ILQROTXHIBVLKT-BBWFWOEESA-N 282.493 4.566 30 10 CJEE CCCCCC#CC[C@@H](C[C@@]12CCC[C@@H]1C2)NCC 2333169727 ASRCXVXKALDMHQ-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1CCC[C@@H]2C[C@@H]21 2333706406 MPBHOVGNWOSVBT-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(F)c(C)c1Cl 2338553407 CEFLBOKFRPXPPY-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)N[C@@H](C1CCCCC1)C(F)(F)F 2338736294 SRUYPILYYBLDHM-AWEZNQCLSA-N 275.358 4.608 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cnc(CCC)s1 2338748484 BPPVUWUQYQBTQW-INIZCTEOSA-N 278.465 4.515 30 10 CJEE C#CCCCCCCNC1CC2(CCCCCC2)C1 2338803136 CWIQGNMLWFUTMF-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C#Cc1ccccc1N[C@H](CC)c1ccc(Cl)cc1 2339905411 OOENUUWPFCKWFY-MRXNPFEDSA-N 269.775 4.885 30 10 CJEE C=C1C[C@@H]1[C@@H](CC1C[C@H]2CCC[C@H](C1)C2)NCCC 2341893112 KXENZBMZXQVURY-UOVPBQLFSA-N 261.453 4.537 30 10 CJEE C[C@](C#N)(CC[C@H]1CC[C@H]1C1CC1)c1ccccc1 2342554473 KKJMASJOFPJXJK-BPQIPLTHSA-N 253.389 4.684 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1COc1cc(Cl)cc(C#N)c1 2343275882 XRQRUPGPLLDTLS-IUODEOHRSA-N 277.795 4.663 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2344026896 GKAUAKJUKUUYIT-LXFSFDBISA-N 267.363 4.778 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2344336983 NGWYZXREYIWXCC-JCECYMMASA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(C)cc1Cl)NCCC 2344345308 MOXAARVYKYBRPP-PBHICJAKSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1CCCC[C@H]1F 2344348606 MHAGTFVYTNYOGL-HZMVEIRTSA-N 269.448 4.875 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@@H]1C(F)(F)F)NCC 2344359445 YGKUGKZOTWVKNI-AVGNSLFASA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)cc1C)NCC 2344381506 VLJIQFKZOOAUKM-INIZCTEOSA-N 279.855 4.771 30 10 CJEE C=CCCCCCCCC[C@@H](NN)C(C)(C)CC=C 2344459196 FVHVKFWKMJOZLC-MRXNPFEDSA-N 266.473 4.727 30 10 CJEE Cc1ccccc1CCOC[C@](C)(CS)C(C)(C)C 2352174916 VLIZHYDCJPYWEM-QGZVFWFLSA-N 280.477 4.536 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@H](C)[C@H]1C 2352215677 WAUJCDCEJQBLSQ-WOSRLPQWSA-N 282.449 4.520 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2359616191 YTHNXNQAKIZRPF-JCHJZTRSSA-N 269.432 4.504 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(F)c(C)c1 2360199802 BSCQLSIZPJNWRL-PBHICJAKSA-N 295.467 4.873 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2C[C@@H](C)C[C@@H](C)C2)C1 37146242 RZXOMIUUZVYLFR-FLXSYLCISA-N 290.495 4.709 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(C#N)Nc1ccccc1 37935258 MBVHFAGSBKMMFN-WBVHZDCISA-N 256.393 4.597 30 10 CJEE CCCCCC[C@H](C)OCCCC[C@@](C)(C#N)NC1CC1 45323951 AYGCNLDDKTZQOV-WMZOPIPTSA-N 294.483 4.566 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2cccc(C)c2C)cc1 57684915 FZOJATQIJLHQRU-GOSISDBHSA-N 279.383 4.688 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccccc2F)c(C)c1 57686477 QFJARCZMCUALRJ-INIZCTEOSA-N 297.373 4.909 30 10 CJEE CC(=C/c1ccccc1)/C=N/Nc1nc2ccccc2s1 59514292 ZBSZKSPLYBFYCD-APKIYPECSA-N 293.395 4.798 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C 68616446 ZFCCJWHCEMDMOF-JJRVBVJISA-N 270.420 4.724 30 10 CJEE C=C[C@H](C)Oc1ccc2ccccc2c1Br 71136746 BQEGGWYYCSBSSE-JTQLQIEISA-N 277.161 4.556 30 10 CJEE CCCOc1cccc(/C=N/Nc2ccc(Cl)cc2)c1 82251993 HTTLATCEZDEKBZ-LDADJPATSA-N 288.778 4.575 30 10 CJEE SCC1(CSC2CCCC2)CCCCCC1 87098643 DRCTTXAIAYWIFN-UHFFFAOYSA-N 258.496 4.933 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)s2)CCc2ccccc2C1 87998370 VHBCXPUZCNGFRD-INIZCTEOSA-N 287.815 4.643 30 10 CJEE N#C[C@H]1CCC[C@H]1Sc1ccc(Cl)c(Cl)c1 88304067 CUNIRGOTVJMYGX-PRHODGIISA-N 272.200 4.778 30 10 CJEE C=C(CC)C[C@H](CSc1cccc(Cl)c1)NCC 90239335 JOCCJEBOXKZBTR-CQSZACIVSA-N 283.868 4.767 30 10 CJEE OCCCCCCc1ccc(CCCCCCS)cc1 90730000 QZOXYIVMWOKLDL-UHFFFAOYSA-N 294.504 4.815 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C(F)(F)F)c1 92129320 NXZKYYVZQJVFQJ-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=CCCC[C@H](CSc1ccccc1C)NCCC 97429513 ZCYOCLDTSZEFNE-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE CC(C)c1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 106138316 XHDWGGAZPMASEC-UHFFFAOYSA-N 298.367 4.741 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnccn1 108828022 RMJLALOSCBNBJY-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1nc2ccccc2[nH]1 109954894 IADGLPADBVZKHB-LSDHHAIUSA-N 287.451 4.963 30 10 CJEE C[C@@H]1Cc2ccccc2N(c2cccc(Cl)c2C#N)C1 110259425 VICZSDCNZCAURC-GFCCVEGCSA-N 282.774 4.542 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C1CCCCC1 110917771 KUYULAZKEVWFTJ-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]1O2 114189775 RDNQJJVPRMAKKH-XSLAGTTESA-N 281.484 4.673 30 10 CJEE CCCCCCCO[C@](C)(CCCCCC)C(=O)O 114390961 CYGPYHQTPYDAGP-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE CCCCCCCCCC[C@H](NCC)C1CCOCC1 115761852 QIVYQBMQPKMYBS-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCC(=O)N[C@H]1CCC[C@@H]1C#N 115857522 FFIKSNVMJUHBFH-SJORKVTESA-N 292.467 4.716 30 10 CJEE CCCCCCC[C@H](Cc1nc2ccccc2o1)NCC 116601936 XHOGBLWGEZKZGK-OAHLLOKOSA-N 288.435 4.709 30 10 CJEE CCCCCCCC(=O)C(CC)(CC)N(CC)CC 118169372 JMJUIBAZUYRBAI-UHFFFAOYSA-N 269.473 4.817 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CCC[C@H](C(F)(F)F)C1 122310490 NXYBJAKSOAEYCZ-RDBSUJKOSA-N 294.405 4.548 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](OCC)C(C)C 122858851 HEIYHICJFBNFCC-IAGOWNOFSA-N 272.473 4.939 30 10 CJEE CCCCCCCCCCNCc1ccc2c(c1)CCO2 129288104 UVHKEPFRFNAKIF-UHFFFAOYSA-N 289.463 4.852 30 10 CJEE CCCCCCCCCCC(=O)Cc1c(C)nn(C)c1C 135629915 VWRCSCCMPJGJFC-UHFFFAOYSA-N 292.467 4.679 30 10 CJEE CCCCCCC[C@@H](COC(C)(C)C)NCCC 139646830 CVHNCJDZJJKWMJ-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cnnn1CCC 158608437 MENZTEUVILEUTC-QGZVFWFLSA-N 295.471 4.642 30 10 CJEE CCCCCCCC[C@H](NC)C(CC)(CC)OC 164484721 KCKHYIVLYZERGO-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@H](Cc1cccc(C(F)(F)F)c1)NCCC 164634535 FRFQJXRBFYCETI-MRXNPFEDSA-N 299.380 4.972 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(C#N)cc2F)c(C)c1 168280471 MCQGZGCBRHXXEL-AWEZNQCLSA-N 282.362 4.796 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1cccc(Cl)c1 211852292 VPHAFWPVCUTTAJ-OAHLLOKOSA-N 277.795 4.733 30 10 CJEE C/C(CCc1ccc(O[C@H](C)c2ccccc2)cc1)=N/O 216968049 BZUMPTLFFVTKHQ-ATPAHOSSSA-N 283.371 4.609 30 10 CJEE CCCCCCCC[C@@H](O)c1ncc(Cl)s1 223159879 LBSSWXGRPHQSGB-SNVBAGLBSA-N 261.818 4.581 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1C#N 223510393 WZIYDPHDNFYXOS-PVUWLOKVSA-N 275.367 4.537 30 10 CJEE CCCCCCCCC(=O)c1cncc(OCCC)c1 229412755 ZLZXAXTYBFAHNQ-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(Br)c(C)c1 229754459 KKCCSWMXBSOGBX-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC1(C)CCC[C@H]1Nc1ccc(C#N)c2ccccc12 232776993 HSZXKTCUEUQWJL-QGZVFWFLSA-N 264.372 4.702 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)[C@@H](C)CC 232963808 YNRPTMHHLYTPKQ-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(N(C)C)c1 233545887 OXLOOMXZBZIVNT-SFHVURJKSA-N 274.452 4.540 30 10 CJEE C[C@@H]1CCC[C@H](CCNCCCCC(C)(C)C#N)C1 235279521 KXDCJRONJGETMR-HZPDHXFCSA-N 264.457 4.512 30 10 CJEE Cc1ccc(Nc2c(Cl)cccc2Cl)c(C#N)c1 235901693 OITJJAWJDZTKDC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CC[C@](C#N)(CCCS[C@@H]1CCC[C@H](C)C1)NC1CC1 300207020 PMIPRMQADFFYOE-USXIJHARSA-N 294.508 4.503 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1c(Cl)cccc1Cl 302298141 YZOUNCBLYXKINL-ZDUSSCGKSA-N 284.230 4.694 30 10 CJEE Cc1cccc(N[C@@H](C#N)C2CCC(C)(C)CC2)c1 311557457 KAIGFWPDONGODL-INIZCTEOSA-N 256.393 4.516 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(F)c(Cl)c1 312266447 MYLZRSASIXFCIF-INIZCTEOSA-N 295.829 4.959 30 10 CJEE C=CCCCCCCN[C@@H](C)c1cc(C)ccc1OC 312654531 URDONJCWYAHSMX-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CC1CCC(C[C@@]2(C#N)CCc3ccccc3C2)CC1 313185734 WHHIXFHDBQIZBB-RJYAGPCLSA-N 267.416 4.902 30 10 CJEE CCCCCCC[C@@]1(C=O)CCc2ccccc2C1 316932880 FIUOJEUULXOXSS-GOSISDBHSA-N 258.405 4.721 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCCC2(F)F)CC1 317077032 CGNINJCLHXGIOT-LBPRGKRZSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2c(Cl)cccc2Cl)C1 317787499 YJYJAZLKPKBOPR-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE CCCCCCCC[C@]1(CNCCC)C[C@H]2CC[C@H]1O2 318291526 MDXYFFCYAGNUIG-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE C#C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ccccc1 378673044 NCLKWZHXWSZZEQ-KRWDZBQOSA-N 269.432 4.555 30 10 CJEE C=CCCCCCCn1c(S)nc2c(F)cc(F)cc21 380518755 QYNVJOALDDOMSG-UHFFFAOYSA-N 296.386 4.740 30 10 CJEE Cc1csc(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)c1 381010723 JYMFOKQTLSORJE-OAHLLOKOSA-N 283.396 4.670 30 10 CJEE CCC1CCC(C#N)(c2nc3ccccc3s2)CC1 382169208 JIPZOYAGFHEGQY-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE CCCCCCCCCCCCN1CCCNC[C@@H]1C 382756358 ORILQTWMVKTKBV-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=C([C@@H](NCC)C1CCC(C(C)(C)C)CC1)C(F)(F)F 383533510 BNKOQRMJNOMXPZ-JXQTWKCFSA-N 291.401 4.936 30 10 CJEE C=CC[C@@H](CCCCCCCCCC)CNCCOC 387010377 QUHKWWXCNJTTNG-SFHVURJKSA-N 283.500 4.946 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(OC)c1F 397439583 BSWFBOVULOQJHQ-OAHLLOKOSA-N 279.399 4.621 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)C1CCC1)NN 398605320 COTDSRONDZRKDL-RDJZCZTQSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccc(C)cn1 401144342 ALTOGDVOYNHBME-MRXNPFEDSA-N 262.441 4.921 30 10 CJEE C=CCCSCCOc1c(Cl)cccc1Cl 523520337 PLEITZLHCYEGHZ-UHFFFAOYSA-N 277.216 4.682 30 10 CJEE CSc1c(F)cc(C(F)(F)F)cc1C(F)(F)F 575340021 LALLZQCZEYFLGR-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE C#CCCCCCNc1cc(Br)c(F)cc1C 686677189 FOVPEJDSFPTSEG-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE C#CCCCCC[C@H](CC1CCCCC1)NCCC 686696675 BDNMSKTXKUOUQQ-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H]1CCC[C@@H]1C 690952360 PHLBWXPNOOFNLF-KSZLIROESA-N 282.516 4.575 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(C)cc21 692215692 RVDGSABMEJKULI-BHIYHBOVSA-N 269.432 4.707 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)nc(C(C)C)n1 692242342 NXSLMEUDMVIWFE-QWHCGFSZSA-N 293.842 4.800 30 10 CJEE CCCCCCC[C@H](CC1(CSC)CC1)NCC 696065263 WBCKWFVHNGKFJK-OAHLLOKOSA-N 271.514 4.858 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)c(O)c3C)C[C@@H](C1)C2 697307049 QBPQBEZQHTUOCA-XYPWUTKMSA-N 271.404 4.556 30 10 CJEE CCCCCCC[C@H](O)c1ccc(C(C)(C)OC)cc1 700538923 OJCYMWBVZHXDTJ-KRWDZBQOSA-N 278.436 4.962 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H]1CC1(F)F 701862447 IQHOKPWDAYBANH-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)[C@]1(C#N)CC1(C)C 702106299 AOMXINYAQJCEQP-GJZGRUSLSA-N 298.213 4.531 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCC23CCCCC3)C1 703654004 OEXFWNPDYOMZKJ-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCCN(CC)CC1 705023246 JLMDPWKXLXEZPA-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCC12CC2 707135049 NQYASRGDBOPIFV-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@H]1C(=O)CCN1C1CCCCCC1 712029495 KCAVZQLIKNZFNQ-KRWDZBQOSA-N 279.468 4.713 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)C[C@H](C)CO1 718522639 VMFMQBJGWJKXSC-FUHWJXTLSA-N 281.484 4.674 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@@H](C)COCc2ccccc2)C1 719609978 FBPSOXKGYFCSLI-NUJGCVRESA-N 271.404 4.559 30 10 CJEE C=C1CCC(C[C@@H](N)CCCc2cccs2)CC1 724549086 KVWPZJKKCHTXEY-HNNXBMFYSA-N 263.450 4.535 30 10 CJEE CCCCCCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C 791885510 QHUSLQYGDQPVNF-CHWSQXEVSA-N 293.373 4.536 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1-c1ccccc1 1124203465 GKZSRXVQEKJARH-OAHLLOKOSA-N 279.383 4.894 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCCC1 1132159552 FMRBHGJEGTXKRH-QZTJIDSGSA-N 297.442 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CCCCCCCC[C@@H](C)N(CC)C[C@H]1CCCCN1 2240571737 FGUKEMRWYSRDHJ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NCC)C1CC(C)C1 2240638992 AGWDHGBINXNKMD-OPQOLIRYSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCCOC12CCC2 2240666171 KRQSBBCPSKPKRR-DLBZAZTESA-N 281.484 4.817 30 10 CJEE C=CCCSc1cccc(Cl)c1CNC(C)C 2250017193 VJDCSIXYNGYRTK-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE C=C(C)CCCC[C@@](N)(c1cccs1)C(C)C 2250151125 IEKHKALYPPCPRF-HNNXBMFYSA-N 251.439 4.695 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1cc(F)cc(F)c1 2255259860 QFMQFIUYLQYOLT-IINYFYTJSA-N 267.344 4.529 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@@H]2N 2257316540 RRQBEHMRZPICBN-FXUDXRNXSA-N 255.421 4.593 30 10 CJEE C=C(C)CCCCC1(CNC(C)C)CCSCC1 2259164589 RZIYUKNSFUSVKL-UHFFFAOYSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCCNCC1(CC(C)C)CCCC1 2259199787 VPWOVEIPEYSTGA-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@](C)(OCCN)C(CC)CC 2262561195 OCMFTWJMVCQCII-INIZCTEOSA-N 257.462 4.517 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264497374 YKBJUIBLAUHEDX-SMXFJAQXSA-N 263.469 4.760 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1CCCCC12CC2)NC 2264834532 HGEWFZPVTZYPSR-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@@H]1CCCCC12CC2)NCC 2264858749 DTQAPTOTIVJGME-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(N)CC=CC#CC(C)(C)C 2268750851 PZZRLGOMSPQZSF-YJBOKZPZSA-N 261.453 4.526 30 10 CJEE CCCCCCCC[C@]1(F)[C@H]2CCC[C@@H]1C[C@H](N)C2 2270415331 VRLJCDBHANHTPO-ZYGGUILKSA-N 269.448 4.983 30 10 CJEE C=CCCCCCCCSc1ncnc(Cl)c1C=O 2271488336 MYIZPHKRACPUGY-UHFFFAOYSA-N 298.839 4.561 30 10 CJEE C=C(C)CCCCN[C@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2271780732 IAEQGGOWIBIHTN-QNVOQPSNSA-N 261.453 4.537 30 10 CJEE C=C(C)CCCCNCc1ccc(C2CCC2)cc1 2271792005 QWADHVTXCUWDIW-UHFFFAOYSA-N 257.421 4.790 30 10 CJEE CC(C)CCC[C@H](C)CCNCC#CC1CCCC1 2274108198 PKDPHORAQFRFJX-KRWDZBQOSA-N 263.469 4.622 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2274118337 QQKSGIGMUVGGMN-HNNXBMFYSA-N 295.879 4.944 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](N)(CC#CC2CCCC2)C1 2274163779 CGLCWSHESBTDLV-ROUUACIJSA-N 261.453 4.504 30 10 CJEE C=CCCC1(OCCCN)CCCCCCCCC1 2277259496 XOYJHRCOORWFLO-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C[C@H]1C[C@H](C(F)(F)F)CCN1CCCCCCCS 2277501329 NBHHJYOEVLQTFH-QWHCGFSZSA-N 297.430 4.530 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277877343 DFHORKZGHGPDOB-JOYOIKCWSA-N 291.382 4.938 30 10 CJEE C=CCCCCCCCC[C@@H](Cc1cnsc1)NCC 2280132570 DGKPRJVLWMLHPL-KRWDZBQOSA-N 294.508 4.971 30 10 CJEE Cc1cc(N[C@@H]2CCCCCC2(C)C)cc(C)c1C#N 2280569295 VYWRAWMZUHOQSE-QGZVFWFLSA-N 270.420 4.946 30 10 CJEE C=CCCCCCCCSc1cccc(CNCC)n1 2287074354 DNYJAUGDNGTBLS-UHFFFAOYSA-N 292.492 4.810 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@]1(CC)CCCCO1 2287372087 ISXONNPBOLZDCU-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@](C)(O)CCC(C)C 2287390068 LRKMEKHAJHQUQO-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE CCCN[C@@](C#N)(CCCSC1CC(C)(C)C1)C(C)C 2288949166 JNTCHMSOLNJSKM-QGZVFWFLSA-N 296.524 4.606 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@]12CCC[C@@H]1CC2 2289859205 ITUIAHMEWLWTRT-GUDVDZBRSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)C1(CC)CC1 2290630765 BVTGENZELQALIE-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CC=C(CC)[C@H](CCCCCCCCC)OCC(=O)O 2292380596 IECLLLJXGJAWLA-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@H](OCCN)C1C[C@H](C)C[C@@H](C)C1 2292778580 HERKABMLQQDOCT-NUJGCVRESA-N 281.484 4.539 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1ccsc1C 2292785061 QQXHJEJHVJJDBJ-QGZVFWFLSA-N 295.492 4.990 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@H]1C[C@H]1CC 2292789929 AQNUVBBVMAYKMF-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H](C)C[C@H]1C 2292897814 XSXDWHXULOLEOL-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)C1(C)CCCCC1 2292899975 TUTFPUJAPKYMDG-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)C[C@@H]2CC[C@@H]2C1 2293458234 LKSFSLAOLMLXKV-PIIMJCKOSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@@H]2C[C@@H]2C1 2294568533 QBFSHMRFLAELOP-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=C([C@H](N)[C@](C)(O)CCCCCCCCC)[Si](C)(C)C 2295682886 VGXFLFYDVKRTRG-DLBZAZTESA-N 299.575 4.639 30 10 CJEE CC(=NCc1ccc(Cl)c(Cl)c1)c1ccccc1O 2297563078 KQWYBZPAYQQDKU-UHFFFAOYSA-N 294.181 4.708 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNCC)c(Cl)c1 2298943059 QFIGOJNDXVFEAY-NSHDSACASA-N 269.841 4.506 30 10 CJEE CC(C)CCCCCOC[C@@H](CS)CC(C)C 2308056864 MXHSWEMTBIVZIF-HNNXBMFYSA-N 260.487 4.812 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@H](C)CC 2313524616 NEONJBKJRXDKPF-ZBFHGGJFSA-N 269.498 4.655 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1c(F)ccc(C)c1Cl 2314005293 NJVLUEKDEUSKJH-XHDPSFHLSA-N 269.791 4.650 30 10 CJEE N#CC1(c2ccc(Cl)c(Cl)c2)CC2(C1)CC2(F)F 2326921108 ITUCMXROZWYFME-UHFFFAOYSA-N 288.124 4.574 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NC 2331584776 OCZNGMSFTAZJCV-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CC[C@H]1CC[C@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2332784092 MTEBHMFCDIPBPB-LEUOFYLZSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1CNCC(C)C 2335241067 GXRTWFABCHJSSK-ZDUSSCGKSA-N 281.440 4.628 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@@H](OC)C[C@@H](C)N1 2336670152 CASRPNFMRAAUMS-ZACQAIPSSA-N 269.473 4.673 30 10 CJEE CCCCCCCCCCO[C@H]1CCN[C@@]1(C)CC 2336889510 AYYBFZWEMGSZQR-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)C1CCC(F)(F)CC1 2337075597 FVBHNLLRBOUKNB-AEGPPILISA-N 271.395 4.535 30 10 CJEE C=CCC(CC=C)[C@@H]1CCCCC[C@H]1CNC1CC1 2338665548 JLJDHWREGDZZBS-WMZOPIPTSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)N(C)C[C@H]1CCCCCC1(F)F 2338727962 PEMJICDKAQMFBW-CQSZACIVSA-N 271.395 4.655 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(F)c(C)c1Cl 2338773189 LHIYOXIWJDBOSP-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1C[C@H]2CCC[C@H]1CC2 2339023408 HJAYPFXTMGIDFK-ICUGJSFKSA-N 262.437 4.988 30 10 CJEE C=CCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCCC 2339291274 PYAXFHRMVFNCKR-TVFCKZIOSA-N 261.453 4.703 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)c(C)c1C 2340914512 YMDRZZVNJBJORT-DOMZBBRYSA-N 263.400 4.838 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CC[C@H]1C(C)(C)C 2343208000 LBFIIQIMIQUFDB-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C#N)C[C@H](C)O[C@H](C)C2)CC1 2343384062 KXKXWRDWOUECKA-TWMKSMIVSA-N 261.409 4.610 30 10 CJEE C=CCC(C)(C)[C@H](C=Cc1ccccc1)NCCC 2344343668 FGQLQCDJTMBRJS-KRWDZBQOSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccc2ccccc2c1C 2344395433 JCRIKLGUVQRRKR-FZKQIMNGSA-N 253.389 4.621 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(OCCC)cc1 2344465036 XKAQXJCTHVMORO-SJORKVTESA-N 262.393 4.501 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc2ccccc2c1 2344467470 MBXCOJGAXVGODV-ROUUACIJSA-N 254.373 4.866 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@]2(C)CCC[C@@H]12 2352177263 VXXJDDRGPNRRAU-DJIMGWMZSA-N 283.525 4.623 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@H]2C[C@@H](C(F)(F)F)C2)CC1 2352739392 ITBRZDBZTTWHOZ-WCFLWFBJSA-N 274.326 4.527 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2355991373 WJTYWLUHLNKPAS-MYPMTAMASA-N 282.374 4.619 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](O)[C@@H]1C[C@H]1CC 2357645478 ZHEDYGNXQNVKNK-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2357695646 XKGRPUZGKYBQGM-GDAAHCPNSA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)N[C@@H](C)CC(C)(C)c1ccccc1 2360210734 XAKTYVSBBQSMKR-INIZCTEOSA-N 271.448 4.853 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccccc1CC 2360323508 IUKQGJBLLFTXDP-GOSISDBHSA-N 289.488 4.764 30 10 CJEE CC(C)c1ccc([C@H](C#N)NCc2ccccc2Cl)cc1 20174475 TYISQJJHQQXVEX-SFHVURJKSA-N 298.817 4.818 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1ccc(Cl)cc1Cl 20177087 AOVAWPZQFKYMRX-HNNXBMFYSA-N 297.229 4.870 30 10 CJEE CCCCCC[C@H](C#N)Nc1cccc(Br)c1 37937424 FSTZDDXTURPHBG-CQSZACIVSA-N 295.224 4.724 30 10 CJEE Cc1cccc(S[C@@H](CC#N)c2ccccc2)c1 55022880 CQZLVXFWQAXBTF-INIZCTEOSA-N 253.370 4.742 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2ccccc2Cl)cc1 57684935 OEPHAADQFKTIJZ-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2c(c1)CCO2 59469037 MNZXVGDJWBMDMZ-AWEZNQCLSA-N 261.409 4.782 30 10 CJEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCCCC 66117817 YMJCGNPKPCMMBF-CQSZACIVSA-N 274.404 4.920 30 10 CJEE CCc1oc(-c2ccc(OC)c(C(C)C)c2)cc1C#N 77077537 CZNBZFOSPFOHHB-UHFFFAOYSA-N 269.344 4.513 30 10 CJEE CCOc1cccc(-c2cc(C#N)c(C(C)(C)C)o2)c1 77085129 OZBQAAOAHXEATP-UHFFFAOYSA-N 269.344 4.514 30 10 CJEE CCCCCCCCNC(=O)Cc1cccc2ccccc12 80729798 ZNVGELCHRGIMAO-UHFFFAOYSA-N 297.442 4.859 30 10 CJEE Cc1ccc2c(CS)cc(C(C)(C)C)nc2c1C 82465883 XDCLCGKPAHWCKZ-UHFFFAOYSA-N 259.418 4.579 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@H]1CCCc2ccccc21 86114355 AAFJOWWJLMKNGT-OAHLLOKOSA-N 296.801 4.744 30 10 CJEE CC(C)C1CC(C#N)(c2ccc(Cl)cc2Cl)C1 86557840 GUZBKMZBUHVQMC-UHFFFAOYSA-N 268.187 4.821 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2c(F)cccc2Cl)C1 87930310 GFZRPCNMXYHAJR-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2c(C)cc(C)cc2C)C1 87996811 CPCJQOLQATUTMM-WMZOPIPTSA-N 255.405 4.874 30 10 CJEE N#C[C@@]1(CCCc2ccccc2)CCc2ccccc2C1 87998349 GEICQSVHYHTLCP-FQEVSTJZSA-N 275.395 4.708 30 10 CJEE CCCC1CCC(O)(C2(C#N)CCCCCC2)CC1 91875852 XMFWRWUHOMRFHG-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCC[C@H](C)CC2)CC1 91903243 GLITZFSHRZIPDI-FCCDEINASA-N 277.452 4.674 30 10 CJEE C=CCCC[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547245 VDBICZPNAMJSLA-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CC(C)[C@@H](CS)CSc1cccc(C(F)(F)F)c1 94589315 JXTQZVJOPPBGBB-JTQLQIEISA-N 294.407 5.000 30 10 CJEE CCCCCCCCCCCCC1(C(=O)O)CCNCC1 109039509 FDOFHRVCFPNMAE-UHFFFAOYSA-N 297.483 4.752 30 10 CJEE CC(C)(C)CC(C)(C)Nc1ccc(Cl)cc1C#N 110257037 VXQSOHLNVGDCIJ-UHFFFAOYSA-N 264.800 4.838 30 10 CJEE CCCCCCC[C@H](O)c1ccc2ccccc2n1 112639597 GMFVDAXPVXGKTO-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@]1(C)CC 114061143 XRHJTUXRMKHETO-IBGZPJMESA-N 296.543 4.980 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(OC)cc1OC 115651592 AKYYJTVVQFAOFG-KRWDZBQOSA-N 294.435 4.878 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)N1CCCCC1 118145433 LYFQCIYWEMAJRM-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](CC)OC 124706399 ZMPFQMJBURVCST-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CSCCS1 125133785 CIKWXHGGGPVOJI-HNNXBMFYSA-N 288.522 4.935 30 10 CJEE CCCCCCCCOCc1ccc([C@@H](C)C(=O)O)cc1 125425643 LBKZFZPAHDVMRJ-OAHLLOKOSA-N 292.419 4.752 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1Cc2ccccc2O1 126522665 WYBKCCYPXSSBHE-MJGOQNOKSA-N 289.463 4.719 30 10 CJEE CCCCCCCCCCNCc1nc(C)c(C)s1 127192933 FDFVGFWBNUBGDH-UHFFFAOYSA-N 282.497 4.990 30 10 CJEE CCCCCCCCCC[C@H](CCC(F)(F)F)NN 128580706 QICPBSPYGRNOKY-CYBMUJFWSA-N 282.394 4.692 30 10 CJEE CCCCCCCCCCn1c(S)nc2cccnc21 129433395 JVIZRTAQCFBWEG-UHFFFAOYSA-N 291.464 4.861 30 10 CJEE CCCCCCCCCCN1C[C@H]2CCCN2C[C@@H]1CC 129489527 DTJPXWOJNITFJT-RBUKOAKNSA-N 294.527 4.686 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2OC)CC1 129963301 FOTBPGKDKFWNMI-GDBMZVCRSA-N 286.419 4.728 30 10 CJEE C=C(CNc1ccc(SC)cc1)c1ccccc1 134355919 ZMDVWGZHFGDDLI-UHFFFAOYSA-N 255.386 4.534 30 10 CJEE C=C(CNCC[C@@H]1CCC[C@H](C)C1)c1ccccc1 134366025 TXJJOFSVLKUUFL-RDJZCZTQSA-N 257.421 4.506 30 10 CJEE CCCCCCCCC[C@H](NCC)c1c(C)nn(C)c1C 139400979 HMNZHGLBZCYYKK-KRWDZBQOSA-N 293.499 4.828 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1cccc(F)c1 159090837 VXONDGAAFMWUDS-QGZVFWFLSA-N 265.416 4.836 30 10 CJEE CN(Cc1ccccc1)[C@H](C#N)c1cccc2ccccc12 213052670 KSMYVNPYMZNOMP-HXUWFJFHSA-N 286.378 4.536 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@@H](C)c2ccccc2)cc1 219547100 LMOMLTGXRAPTFT-KXBFYZLASA-N 278.399 4.725 30 10 CJEE N#Cc1ccc2sc3ccc(Br)cc3c2c1 223098306 YDLVTWVGAYJEDS-UHFFFAOYSA-N 288.169 4.689 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(C)c(Br)c(C)c1 228389200 LKKARVZPEMNORI-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228552026 HLZNOWWZXBCBOD-SJCJKPOMSA-N 289.806 4.537 30 10 CJEE C=CCSCCN[C@H](CCCC)c1ccc(F)cc1 231930503 VKORUTCCKPYRKU-MRXNPFEDSA-N 281.440 4.566 30 10 CJEE C[C@H](Nc1ccc(C#N)c2ccccc12)C1CCCC1 235564080 OYQNQIGWQXGWSG-ZDUSSCGKSA-N 264.372 4.702 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](O)C1(C#N)CCCCCC1 235853187 WLXVLRXWEMMRJW-OAHLLOKOSA-N 277.795 4.546 30 10 CJEE CCCCCCCC[C@]1(N)C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 250803168 DRBZMORDIBFUNN-DZVNLGKHSA-N 263.469 4.891 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)CC1 307922903 IIORHJAYMSSNNP-DZGCQCFKSA-N 274.383 4.858 30 10 CJEE C=CCCCCC[C@H](O)c1c(C)cccc1Br 310456781 DCCHIMLEBREQRV-AWEZNQCLSA-N 297.236 4.927 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H](C(C)C)CC1 311188553 BVEUNLYNHPHCKA-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCC23CCCCC3)c1 313004215 AUPNIRQZKFKXDD-SFHVURJKSA-N 268.404 4.804 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1 313473074 FJZFYQWQSDRZFL-GFCCVEGCSA-N 270.763 4.579 30 10 CJEE C=CCCCCC[C@]1(CNC)CCC[C@@H](CC)C1 317197390 NITXZSHOILWSOY-SJORKVTESA-N 251.458 4.929 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2Cc3ccccc3S2)CC1 317570653 LUQDDDUCWKBMCK-OAHLLOKOSA-N 288.456 4.879 30 10 CJEE C=CCCCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@H]1C2 317617151 PTNUXXNWIIHSCO-BQFCYCMXSA-N 261.453 4.681 30 10 CJEE C=C[C@@H](C)C1(CNC(C)(C)C)CCCCCCC1 318146238 PLYGKGVVPURENO-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCC[C@@](CC#CC(C)(C)C)(CNC2CC2)C1 318213610 SZEKJLIXUGGBSD-APWZRJJASA-N 275.480 4.765 30 10 CJEE C=CCCC[C@@]1(CNCC(C)C)CCC[C@@H](C)C1 319977432 NXRDGMZVQVBLIJ-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE C=CCC[C@@H](CO)NC1CCCCCCCCCCC1 321107411 NPEQFMHIRRKVCU-SFHVURJKSA-N 281.484 4.576 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](O)(CCC(C)C)C2CC2)C1 380327898 VTVWMRLMZCQDCM-BPQIPLTHSA-N 277.452 4.674 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1oc2ccccc2c1C 381219938 WHJRUFXRJRHOCC-AWEZNQCLSA-N 271.404 4.994 30 10 CJEE CCc1cc(NCCCCC(C)(C)C#N)ccc1C 381725432 KQMMDMAUHZKMRE-UHFFFAOYSA-N 258.409 4.689 30 10 CJEE C=C([C@@H](NCC)C1CCC(CCC)CC1)C(F)(F)F 382462558 YOCBBAGIJINREN-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)Cc1ccc(Cl)cc1 383608284 QZQDCJQFIPOLQS-KRWDZBQOSA-N 291.866 4.690 30 10 CJEE CCC[C@H](/N=C1/N[C@H](C(C)(C)C)CS1)c1cccs1 394006750 HRWCFLQRWNOWCG-AAEUAGOBSA-N 296.505 4.696 30 10 CJEE CCC[C@@H](NC[C@H](C#N)C1CCCC1)c1cccs1 397167242 ZWJLXYKBSNSHHI-LSDHHAIUSA-N 276.449 4.509 30 10 CJEE N#C[C@H](CSc1ccc(Cl)cn1)C1CCCCC1 397288965 HPHCEQGUDNCHIE-GFCCVEGCSA-N 280.824 4.547 30 10 CJEE C=CCCC[C@H](C)N[C@H]1C[C@H](C)c2c(C)ccc(O)c21 398084027 TWEJXWGABJIAPM-KKUMJFAQSA-N 273.420 4.583 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NN 402383553 MKWGEXHOXLMJHR-FJIDUMEYSA-N 278.484 4.561 30 10 CJEE C[C@H](CC(F)(F)F)CC1(C=O)CCC(C)(C)CC1 402600529 CTBGQQMGRRAZGN-NSHDSACASA-N 264.331 4.751 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OCC(C)(C)C#N 405140249 RTHQJJHYMSTLHY-UHFFFAOYSA-N 265.784 4.700 30 10 CJEE C[C@@](C#N)(C[C@H]1CCCCC1(F)F)c1ccccc1 405546057 LTSHXVKIBFKEAE-CABCVRRESA-N 263.331 4.683 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC1(C)C 410347888 RJTDEYKBMSOJAP-OAHLLOKOSA-N 271.404 4.570 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2ccccc2F)o1 680883063 VSLBLECDZOWQLY-LLVKDONJSA-N 292.379 4.713 30 10 CJEE CCCCCCCCCC[C@]1(CO)C[C@H](C)O[C@H]1C 686436102 YFWWLENARAYUSX-YESZJQIVSA-N 270.457 4.693 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CN 686691347 KDDNEXYRBSYARD-BRWVUGGUSA-N 263.469 4.607 30 10 CJEE CC[C@](O)(C1CCC1)C1(C#N)CC(C)(C)CC(C)(C)C1 688279179 FUTAXWJZJSUYQG-SFHVURJKSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCN[C@H]1COC[C@@H]1C 699804210 HFULLQPFFADBCO-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1CC1(F)F 701862450 IQHOKPWDAYBANH-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCNCc1ccncc1Cl 704409907 BVIOWFTWCRQOQC-UHFFFAOYSA-N 268.832 4.575 30 10 CJEE C[C@@H]1C[C@@H](N(C)C[C@@H](CS)C(C)(C)C)CC(C)(C)C1 708585996 YBZHWOZVQJUFNF-QLFBSQMISA-N 285.541 4.725 30 10 CJEE CCCCCCCCOCc1cc(CNCC)cs1 711375560 HYPOAZPNKBTGDI-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H](C1CCCC1)C1CCC1 711834859 OUZIRHBCJADVTG-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)CC3CCCC3)C[C@@H](C1)C2 712533741 LDPJTJJEIVQRPH-NAZJXLNTSA-N 261.453 4.680 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2cscc2s1 715724719 WKXDYARHWKVUAM-IINYFYTJSA-N 265.447 4.826 30 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QSEJBSTUGRUKMH-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCC[C@H]1CC2)NCCC 2344395303 IQXNXXYIOYYEKY-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccccc1CCC 2344466316 HAWWQIFCGOEHJV-QZTJIDSGSA-N 260.421 4.535 30 10 CJEE CSc1cc(N[C@@H]2CCCCC[C@H]2C)ccc1C#N 2353829718 DLAIFCFZZHPBCA-IUODEOHRSA-N 274.433 4.661 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCCC12CCCCC2 2353838647 XFGNYOTZJRVJKV-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353978206 VAEUYMQFXWFJMZ-XDNAFOTISA-N 281.484 4.530 30 10 CJEE N#C[C@@H](C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)c1ccsc1 2354878748 BOLIETMJXNGUPT-QCEMKRCNSA-N 287.428 4.531 30 10 CJEE CCCCC#CC[C@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137084 BQKDGILADRYDAJ-VJANTYMQSA-N 275.480 4.765 30 10 CJEE C=CC[C@H](C)SC[C@H](NC)c1ccc(CC(C)C)cc1 2360324125 NLWRQFIXHRNQPP-YJBOKZPZSA-N 291.504 4.843 30 10 CJEE C=C(C)[C@@H]1CC=C(C)/C(=N/OC(=O)Nc2ccccc2)C1 34928852 SNSSDVCRPQNSAE-RKDSPFTASA-N 284.359 4.524 30 10 CJEE C=C(C)Cn1c(-c2ccc(C)cc2C)nc2ccccc21 40210678 QTBNVNFGWIMRTA-UHFFFAOYSA-N 276.383 4.896 30 10 CJEE Cc1c(Cl)cccc1N[C@@H](CC#N)c1ccccc1 55015072 YPZWLFXTAMXJKW-INIZCTEOSA-N 270.763 4.715 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(F)c1C#N 59348168 PEDLWONUUSOGKO-CYBMUJFWSA-N 262.372 4.858 30 10 CJEE C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccccn1 59507042 ZUHRUMYTJFXBDT-UDWIEESQSA-N 272.307 4.732 30 10 CJEE CC[C@@H]1CCCC[C@]1(C#N)Nc1cccc(Cl)c1 71162367 WDABPKPTVKOEEO-IUODEOHRSA-N 262.784 4.614 30 10 CJEE N#Cc1ccc(Oc2cc(C(F)(F)F)ccc2F)c(F)c1 75914480 ALFFZAHRJQXMKG-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CC(C)c1ccc2nc3c(c(CS)c2c1)CCCC3 82479007 CCDMNNZYSCYUGW-UHFFFAOYSA-N 271.429 4.667 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(Br)cs2)C1 83776189 KSWKVVAQIDGBTO-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2c(F)cccc2Cl)C1 87996661 ZNATVOUBSANRGL-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE FC(F)(F)c1cccc(Cl)c1/N=C1\CCCCCN1 93328028 AGPCAAPFTQPUQP-UHFFFAOYSA-N 290.716 4.552 30 10 CJEE Cc1ccc(C(C)C)c(OCCCCCCS)c1 94582754 GVUVWVXRVRFDFJ-UHFFFAOYSA-N 266.450 4.987 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CSc2ccccc21 97419672 PBHOLRDAEGINMF-HZPDHXFCSA-N 275.461 4.600 30 10 CJEE CCCCCCC[C@@](C)(NCC)c1nc(C)cs1 104441687 WGJQSUQZCQDJAV-OAHLLOKOSA-N 268.470 4.637 30 10 CJEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 109947630 WFURPPPOWPWQLG-INIZCTEOSA-N 288.753 4.914 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@@H](O)c1ccccc1 110023336 DVYJIIVKGAPOJN-ROUUACIJSA-N 278.436 4.876 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](CC)NCCC 110083748 FBESAOOPGTYIDF-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)CC 110256462 ZMSZNQCCRUZRNA-GFCCVEGCSA-N 298.352 4.982 30 10 CJEE N#Cc1ccc(N2CCC3(CCCCC3)CC2)cc1Cl 110258321 FBSXDPLYXYDWTF-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1ccc(OC)cc1 117327586 YYBVLJAIKSHPID-QGZVFWFLSA-N 278.436 4.597 30 10 CJEE CCCCCCCCOCC[C@@H]1CCC[C@@H]1NCCC 126489065 HHSPRIFWSGSBMP-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CC(C)(C)c1ccccc1Nc1c(F)cc(C#N)cc1F 127451212 KJBROQYGYJWSGO-UHFFFAOYSA-N 286.325 4.878 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1ccc(-c2ccccc2)cc1 129825651 JGSXKKGKRDGBLN-OXQOHEQNSA-N 277.411 4.806 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC2CC2)cc1 132218305 TYXITQIHHDGWAE-GOSISDBHSA-N 275.436 4.978 30 10 CJEE C#CCCC[C@H](NCC)C(CC)(CC)c1ccccc1 134027401 KHPHCCDGNJOAMI-SFHVURJKSA-N 271.448 4.526 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnns1 139480979 MBIGKZMAMUOGDX-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE C=C(CN[C@@H](C)c1ccc(CC)cc1)c1ccccc1 148021950 RLIVAVXHVPTSFE-INIZCTEOSA-N 265.400 4.613 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1ccc(C(C)C)cc1 158768598 WXYCIJLACRTAEB-GOSISDBHSA-N 259.437 4.544 30 10 CJEE CCCCCCCCN[C@H]1CCc2ccc(C)cc21 163452976 HDCMVKQWBUZGNK-SFHVURJKSA-N 259.437 4.932 30 10 CJEE C[C@H](Oc1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1 164490069 AOGPFKWVYPKACG-NSHDSACASA-N 291.272 4.717 30 10 CJEE C=C1CCC(Nc2ccc(C(F)(F)F)cc2)CC1 201505073 YPCVBADNTGNBKP-UHFFFAOYSA-N 255.283 4.616 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNCC[C@@H]1C 230200051 JXBROPYTLGZVNR-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC(C)(C#N)c1nc(-c2cccc3ccccc23)cs1 231790961 CBAJZUVHMVMTRG-UHFFFAOYSA-N 278.380 4.764 30 10 CJEE CC(C)(C#N)CCCCNc1ccc2ccccc2c1 232515620 ZFSLLMUTPJPLSI-UHFFFAOYSA-N 266.388 4.972 30 10 CJEE CCCCCCCCC[C@H](C#N)N1CCCCC1 232967597 XWDHBNRVBISHMG-MRXNPFEDSA-N 250.430 4.505 30 10 CJEE CCCCCSC[C@H](CS)c1ccccc1 233059396 HTILTDLIQJEULS-AWEZNQCLSA-N 254.464 4.623 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C)c1Br 233160412 KCZSRDMIVZBVNW-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CCNCc1cccc(SCCCCC(C)(C)C#N)c1 233516694 GAWKJZJQVUBFKF-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE CCOC1(C(=O)C2=CCCCCCC2)CCC(C)CC1 233741036 VQQDLSRUISIESQ-UHFFFAOYSA-N 278.436 4.822 30 10 CJEE C=CCCCCCC(=O)CSc1ccc(C)cc1 235788290 PHGXHZFEWHMDOU-UHFFFAOYSA-N 262.418 4.793 30 10 CJEE C=CCCCCC[C@@H](N)C1CCC(C(F)(F)F)CC1 236314292 CSAIXKRMLUJKCZ-JXQTWKCFSA-N 277.374 4.819 30 10 CJEE O=C(C1=CCCCCC1)C1(c2ccccc2)CCCC1 236393365 FQOSLUKCIBMYFS-UHFFFAOYSA-N 268.400 4.958 30 10 CJEE N#Cc1cc(-c2ccc(Cl)c(Cl)c2)cs1 238526423 MZIONIWQRKDPOV-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCCCCCCN1C[C@@H](C2CCCCC2)NC[C@H]1CC 250830790 QYKVOGJWWKLCIA-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)C[C@@H](C)CC[C@H]2C(C)C)C1 252563098 XEGALXKCRMJZGK-ADHGMGHFSA-N 277.452 4.530 30 10 CJEE CC(C)n1c([C@H](C)C#N)cc2ccc(C(F)(F)F)cc21 260076741 QCQDRMYXBCYGIX-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE C[C@H](C#N)c1csc2cccc(C(F)(F)F)c12 260135615 ULRFTDYOCFOJSX-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE C[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 300279227 HCSXBJNCPVYSHU-OUAUKWLOSA-N 296.197 4.606 30 10 CJEE CCCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 302460077 WHAQJOIRSSQDJV-ZWNOBZJWSA-N 298.213 4.996 30 10 CJEE CCCCCCC[C@@H](NN)c1cscc1C(F)(F)F 302623320 OJFNRLBRWUNALV-GFCCVEGCSA-N 294.386 4.632 30 10 CJEE C=C([C@@H](NCCC)[C@@H](CCC)CC(C)C)C(F)(F)F 308041551 BOHQLBPOUAOYEK-UONOGXRCSA-N 279.390 4.936 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(Cl)cc2)c1 308101971 IJQZUNXHWBMOAP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE O=CC1(CC(F)(F)c2ccccc2)CCCCCC1 316619079 RUSIUQQKDGGSMU-UHFFFAOYSA-N 266.331 4.708 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)(F)F)cc1F 381723413 LSRSLKGWVGBDJD-UHFFFAOYSA-N 275.289 4.859 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1cccc(Cl)c1Cl 384969993 IHPFOLHRORSBDB-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CC[C@@H](N)C1 394230096 MFWZSSZMQWKBKC-JKSUJKDBSA-N 267.457 4.604 30 10 CJEE C[C@@H]1CCCC[C@@H]1CNc1ccc(C(C)(C)C#N)cc1 394890322 VGCCNZYVJHDRGH-HUUCEWRRSA-N 270.420 4.726 30 10 CJEE CCCCCCCCCCCC[C@H](N)Cn1cccn1 395992847 DJJRRIHYMMGHSD-KRWDZBQOSA-N 279.472 4.521 30 10 CJEE CCCCCCC[C@@H](C)NCCSCC(C)C 397461767 RHXCWXHIHQMCKP-OAHLLOKOSA-N 259.503 4.714 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 398084739 UBUBAISRDNOIKT-GHMZBOCLSA-N 257.830 4.797 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 399034398 NTKRQQCCFABBLU-KRWDZBQOSA-N 292.426 4.553 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1cc(Cl)ccc1C#N 401432199 YFDABBVKPHUHDY-TZMCWYRMSA-N 276.811 4.840 30 10 CJEE C=CCC[C@@H](C(=O)NC1CCC2(CC1)CC2)c1ccccc1 470099122 YMVVKAHNVCLBHA-GOSISDBHSA-N 297.442 4.575 30 10 CJEE N#C[C@@H]1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1 527401182 DBNYGDJTVLHDFD-SNVBAGLBSA-N 256.736 4.528 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1COCC2 688349642 COOCQSCFNBYDRA-UHFFFAOYSA-N 274.404 4.693 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)C[C@@H](CS)c1ccccc1 691139265 FKKDECGVBGJULI-BPQIPLTHSA-N 291.504 4.601 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)ccc1C 692270689 FXNOGLZOKFSDEB-SJLPKXTDSA-N 257.421 4.528 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccc(Br)cc1 695892051 MTQSUKAGKSEJMU-JTQLQIEISA-N 298.249 4.870 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3sc(C)nc3C)C[C@@H](C1)C2 697330007 ADGTWWVSHVOOOB-SLHHOWHOSA-N 290.476 4.545 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2cccc(Cl)c2C#N)CC1 697551592 RDDBYQGGQFNTJZ-STQMWFEESA-N 276.811 4.617 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C1CCC1 701308285 MHCZHHVSGXXOCO-TVQRCGJNSA-N 296.197 4.606 30 10 CJEE Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C#N)c1 703772333 SZGOYGBORSWEMO-QGPMSJSTSA-N 270.420 4.739 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(C(F)F)cc1 703995048 BKYCQZUSEBYISK-UHFFFAOYSA-N 267.363 4.706 30 10 CJEE C=CCCC(C)(C)CNCC1(C)CCCCCC1 704039154 IKHOSEZFBCVADI-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CCSC1 708769363 YWRSYUHUDIWOJJ-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE C=C(Cl)CC(=O)[C@H](c1ccccc1)[C@@H](C)CC 710602804 VSEOABPGQXGXSV-NHYWBVRUSA-N 250.769 4.528 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716498887 VXOBVPAXZZUATE-JJTUDDRGSA-N 251.458 4.617 30 10 CJEE CC1(C)CCCCC[C@H]1NC[C@H](C#N)C1CCCCC1 718953307 CTPNNPUSMKZWQW-DLBZAZTESA-N 276.468 4.655 30 10 CJEE Cc1cc(C)cc([C@H](C#N)C2C[C@H](C)C[C@@H](C)C2)c1 719378044 SBIFKHBVZMXLOP-RKVPGOIHSA-N 255.405 4.983 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H](C)c2ccccc2)CC1 724575705 PYBDWQLDFRALPG-QAPCUYQASA-N 257.421 4.515 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2C[C@@H]2C2CC2)CC1 724602759 OKIKIRIZCQHDNU-KURKYZTESA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCc2nc(O)ccc21 809728786 HUJLGAYKFGANHL-GOEBONIOSA-N 290.451 4.503 30 10 CJEE Cc1c(C=Nc2cccc(Cl)c2)c2ccccc2n1C 1084514984 HDIWQQIXABXQJP-UHFFFAOYSA-N 282.774 4.891 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1cccc(C2CCCC2)c1 1130487456 UCTPZXLBQGPIBV-GOSISDBHSA-N 272.388 4.852 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)C1CCC(C)CC1 1134728364 KOOFHNXGLSIPSV-HIEASXQVSA-N 291.479 4.796 30 10 CJEE C=C(C)CCN1CC[C@@H](c2ccc(C)cc2)C1(C)C 1175717201 YFLIBIGZPIKGRE-KRWDZBQOSA-N 257.421 4.529 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc3sccc3c2)C1 1178855516 KTQMLDOLXPGREK-XJKSGUPXSA-N 271.429 4.736 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 1205472136 VVBCXVMAFMLQOH-INIZCTEOSA-N 280.415 4.756 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cc(C)c(F)cc1Cl 1217619770 FMAYZRTVTZEMBS-UHFFFAOYSA-N 298.789 4.654 30 10 CJEE C=CCCC1(CNC(=O)NCC[C@@H](C)CCC)CCCC1 1230927214 KTWVLRHLYJQZRQ-INIZCTEOSA-N 294.483 4.639 30 10 CJEE C=C[C@H]1CCCCN1C(=O)CCCc1ccc(CCC)cc1 1270902396 ACHWMVWZXIJZOJ-IBGZPJMESA-N 299.458 4.529 30 10 CJEE C=CCCCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 1280385729 DFMAPJAVUHLQSI-QGZVFWFLSA-N 273.420 4.731 30 10 CJEE C=C(CC)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 1291857360 IBUZQYSSANFXIQ-UHFFFAOYSA-N 285.318 4.523 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Cl)s1 1307486472 VQFFZGLUMSRZKD-UHFFFAOYSA-N 257.830 4.580 30 10 CJEE C#CCOc1cccc(Cl)c1CNc1ccc(CC)cc1 1308214490 FISZCUTUFPCOHG-UHFFFAOYSA-N 299.801 4.527 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)Cc1ccccc1F 1308715266 WUGUSIDJSNHQTN-HNNXBMFYSA-N 283.390 4.987 30 10 CJEE C=CCC1(CNC(=O)N[C@@H](CCC)C(C)(C)C)CCCC1 1312689481 XGZVORMYEFPWBC-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1436023797 UJMPTCBNHWKTNG-SFHVURJKSA-N 287.447 4.764 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(Cl)c(Cl)cc1F 1436063018 TUCPHGIKJJBJHQ-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CCc2ccc(C(C)C)cc21 1462127468 LGUDAPKEJUVJIT-KBXCAEBGSA-N 257.421 4.742 30 10 CJEE C#Cc1cccc(CN[C@H](CC)CC2CCCCC2)c1 1462346873 GLKYIPDMQYFGAR-LJQANCHMSA-N 269.432 4.507 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H](C)c2ccccc2F)c1 1463255989 CZEVXXKLLWHMCZ-CQSZACIVSA-N 297.373 4.991 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1 1474182107 ZNQYQGGFLDWLBN-SOLBZPMBSA-N 287.447 4.556 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H](C)c2ccccc21 1536651588 QJEQXKBECCLXOK-AWEZNQCLSA-N 271.404 4.519 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCC=CCCC2)c1 1537414276 JDVMTVMOLSZCDC-HNNXBMFYSA-N 269.388 4.795 30 10 CJEE C=CC[C@H](CC)Nc1nc2c(C)cc(C)cc2s1 1559188446 AZEDBDGZOBPDBS-LBPRGKRZSA-N 260.406 4.680 30 10 CJEE C#CCCCCCCN1CCC[C@@H](c2ccccc2)CC1 1559520246 CBMLHZBGCBEBBB-HXUWFJFHSA-N 283.459 4.840 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc(C)c1OC 1560907122 AZWQULMIHLYGSR-MRXNPFEDSA-N 277.452 4.842 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC(CC)CC1)c1ccccc1 1586122233 MZBHUIXJXVSXME-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C(F)=C\C1CCCCC1 1587775966 DEMQIBUKGYXGEV-NTCAYCPXSA-N 281.415 4.529 30 10 CJEE C=CC(C)(C)CC(=O)N1CC2(CCCCCC2)[C@H]1C(C)C 1595344264 FPFYPHRLYIPEBL-QGZVFWFLSA-N 291.479 4.796 30 10 CJEE C=CC1(CC(=O)N(C)C[C@H](C)C(C)(C)C)CCCCC1 1597268967 QUIIZMAILMTHIY-HNNXBMFYSA-N 279.468 4.654 30 10 CJEE C=CCNCc1ccccc1Oc1ccc(F)c(Cl)c1 1620704187 XULWAOOOVCYYSC-UHFFFAOYSA-N 291.753 4.547 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CCCCC1 1623985674 XLTHCFCRXLHXIE-IRXDYDNUSA-N 291.479 4.652 30 10 CJEE N#Cc1cnc(N[C@@H]2CCCC23CCCCC3)c(Cl)c1 1640152983 VDSBTICREURYGF-CQSZACIVSA-N 289.810 4.522 30 10 CJEE C=CCCC[C@H](Nc1nccc(C)c1C#N)c1ccccc1 1640339890 KJNQIBOOXPRGQQ-SFHVURJKSA-N 291.398 4.771 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 1647405220 UFOMVHFYPKCZJI-SFHVURJKSA-N 271.448 4.673 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 1653020321 HOHFPYZOMMSPSV-CQSZACIVSA-N 291.410 4.621 30 10 CJEE C=CCN(CCCC(C)(C)C)Cc1ccccc1F 1653202386 IXLZNAGDYWRXII-UHFFFAOYSA-N 263.400 4.640 30 10 CJEE C=C(C)CCN(Cc1ccc2ccccc2c1)C1CC1 1653209833 LUKUAQSLGHAMJC-UHFFFAOYSA-N 265.400 4.770 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H](C)c1ccc(F)cc1 1658569301 YRZJFUIYFLIEOA-INIZCTEOSA-N 289.438 4.998 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)CCC1CCCC1 1658697399 YQBBBGOOYNWSJV-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cccc(OC)c1F 1658964962 XNYXIINBKJBLFH-CYBMUJFWSA-N 265.372 4.771 30 10 CJEE C=CC[C@@H](CC)NC(=O)N[C@@H](CCCCC)C(C)(C)C 1668937611 LAVHEWYRYSPSNW-CABCVRRESA-N 282.472 4.635 30 10 CJEE C=CCC1(NC(=O)NCCCCCCC)CCCCC1 1684057513 GDHZOKCAGDBNDL-UHFFFAOYSA-N 280.456 4.535 30 10 CJEE CCCCCCCC[C@H](C[C@]12CCCC[C@H]1C2)NN 1880522042 HHEZPACIRHTLOW-GVDBMIGSSA-N 266.473 4.539 30 10 CJEE COCCC1(CC2(C#N)CCC(C(C)C)CC2)CC1 1882279333 LWSUYUYCIRWTKI-UHFFFAOYSA-N 263.425 4.549 30 10 CJEE CC#CCCCN(Cc1ccccc1)C1CCCCC1 1883304878 KSGZHXMAWOQTTG-UHFFFAOYSA-N 269.432 4.625 30 10 CJEE C=C(C)CN(Cc1ccc(C(C)(C)C)cc1)C(C)C 1883898012 UEDWKZHVMFPXGW-UHFFFAOYSA-N 259.437 4.771 30 10 CJEE CCCN(C1CCCCCC1)[C@H](C)CC(C)(C)C#N 1888624949 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30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1c(Cl)cccc1Cl 2076087429 IBSCTXKMDUPMPQ-BXUZGUMPSA-N 284.230 4.694 30 10 CJEE CCCCCCCC[C@@](C)(F)[C@H]1CC[C@@H](N)CC1 2082130758 QELZHRIDICXMNB-OWCLPIDISA-N 257.437 4.983 30 10 CJEE C=CCCC[C@@H](C[C@@H]1CCCC(C)(C)C1)NCC 2082990674 KFNHOFRPESODRV-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@]1(C(=O)O)CCC[C@H](C)C1 2085926456 WSWOJVFPRODNHT-HOCLYGCPSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCSC1 2086260432 ZIFDZGXYEQEENO-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE CCC[C@]1(C)CSC(=Nc2ccc(CC)c(Cl)c2)N1 2090415421 ZJPPDUUNNPPASC-OAHLLOKOSA-N 296.867 4.785 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)C(CC)(CC)CC 2092192203 ZBFOFBBZBKWJSC-JKSUJKDBSA-N 271.489 4.642 30 10 CJEE O=C1C=C(CC2CCC(C(F)(F)F)CC2)CCCC1 2092670058 QVZAWBXTGWYJDH-UHFFFAOYSA-N 274.326 4.815 30 10 CJEE CC1(C)C[C@@H](C[C@@]2(C#N)CCCC2(C)C)C(C)(C)O1 2093005476 JPLCCLJKGIXBFD-SUMWQHHRSA-N 263.425 4.690 30 10 CJEE CC1(C)C2CCC1(Nc1cc(Cl)ccc1C#N)CC2 2094454104 WDASBWAMPBRWAX-UHFFFAOYSA-N 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274.326 4.815 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)c1cscc1F 2125424204 HZUPVUIGFZISTO-OAHLLOKOSA-N 286.412 4.630 30 10 CJEE C=C1CC(C[C@H](NCCC)c2c(F)cccc2Cl)C1 2125734767 BPXMFOYWEGKGRA-HNNXBMFYSA-N 281.802 4.876 30 10 CJEE CC1(C)CC[C@]1(C#N)C[C@H]1CCC2(CCCCC2)O1 2131992868 SXAGNVFMLSBWKL-GDBMZVCRSA-N 261.409 4.588 30 10 CJEE CCCCCCCCCOC[C@]1(C)CNC(C)(C)C1 2134840715 FDIXQOPNQZBPHJ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE Cc1cc(C)c(C)c(C(=O)C2=CCC(C)(C)CC2)c1 2138350196 PNCRAICFVGLFIL-UHFFFAOYSA-N 256.389 4.931 30 10 CJEE CC1(C)CCC[C@@H](C[C@]2(C=O)CCCC(F)(F)C2)C1 2138463937 CIAQNBPGJZLATP-UKRRQHHQSA-N 272.379 4.988 30 10 CJEE CCCCCC#CC[C@@H](O)C(C)(C)C1CCCCC1 2138946477 DMKMCDUCFFAYHW-QGZVFWFLSA-N 264.453 4.928 30 10 CJEE CCCCCC#CC[C@H](N)[C@@H]1CCCC(C)(C)CC1 2138955660 CBIJWQLWLUEJHX-SJORKVTESA-N 263.469 4.894 30 10 CJEE CCCC#CC[C@@H](NCCC)c1c(F)cccc1Cl 2138957839 AJNJXMSJYGMQIJ-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE CCCCC#CC[C@@H](O)c1ccccc1CC(C)C 2138958278 FUAPUSUOMUDORM-GOSISDBHSA-N 258.405 4.502 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1CCCC[C@H]1C 2138958739 KIELVZXSFKYQIM-KURKYZTESA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@H](NCC)C1CCC2(CC1)CC2 2138959616 UEARPAZFNHMJEQ-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCCCC#CCN1CC[C@@]12CCCC(C)(C)C2 2139030356 RFYKDFHPWZVRFE-GOSISDBHSA-N 261.453 4.615 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cc2sccc2s1 2140589149 JFZGLAFEBLTDAN-LBPRGKRZSA-N 290.457 4.840 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C 2141904621 DAAWBTVJXMVVIM-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NC 2141910798 JKSMAGHGZMDJNG-BSDSXHPESA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@H](O)c1cc(C)c(F)cc1F 2141919425 PYIANQDUSHCDQE-INIZCTEOSA-N 268.347 4.833 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@@H](CC(C)C)C(C)C 2141924542 VMOINMIFDFKVFF-DLBZAZTESA-N 268.489 4.663 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1C[C@@H]1c1ccccc1 2141924717 XBNBSPSDBCKOBB-KURKYZTESA-N 258.405 4.678 30 10 CJEE CCCC[C@](C#N)(CC)C[C@@H]1C[C@@H]2COC[C@@H](C2)C1 2141986287 NQUAGZIOHHRBBE-YYIAUSFCSA-N 263.425 4.549 30 10 CJEE C=CCCCCCCCCC1(C(=O)O)C[C@H]2C[C@@H]2C1 2142443261 FYQZIHDNJKDHAJ-HUUCEWRRSA-N 264.409 4.794 30 10 CJEE C=CCCCCCCCCC[C@@H](CC(C)(C)C)NN 2142447946 LCSNOQFVEXLEEC-INIZCTEOSA-N 268.489 4.951 30 10 CJEE O=C(C1=Cc2ccccc2C1)c1cscc1C(F)(F)F 2145219486 VYEWKRKNDDASLJ-UHFFFAOYSA-N 294.297 4.589 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](O)c1cc(C)sc1C 2148578149 JUMRMMDWNCGBSQ-IRXDYDNUSA-N 297.508 4.737 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](O)c1ccc(CC)s1 2148591452 PFDZJEPBUPBQJP-WBVHZDCISA-N 297.508 4.683 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)CCC(F)(F)F 2149852010 YODMBIJIQKTIEY-OAHLLOKOSA-N 289.385 4.671 30 10 CJEE CC(C)[C@@H]1CCC[C@H]1N=C1NC2(CCCCC2)CCS1 2152924175 FVPXNUSOKWLANR-LSDHHAIUSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCC(C)(F)F)NCCC 2153575820 MZFSNISBVZYKAH-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)c1cc(C)cs1 2158609836 XHBFGZGEZHSFRV-RDJZCZTQSA-N 297.508 4.819 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ncoc1C(C)(C)C 2160413577 PXWLUYQVOSPBFN-KBPBESRZSA-N 278.440 4.615 30 10 CJEE C=CCSc1ccccc1NCc1c(C)cccc1O 2160785597 DLQGMLIUMWYISC-UHFFFAOYSA-N 285.412 4.591 30 10 CJEE CSc1cccc(N(C)[C@@H](C)C2CC(C)(C)C2)c1C#N 2161715262 YTROHDCXUXYFBY-LBPRGKRZSA-N 288.460 4.541 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](O)c1ccc(Cl)c(C)c1 2163934874 UWAHUAJVXGGHBB-IAGOWNOFSA-N 297.870 4.630 30 10 CJEE CC(C)[C@H](C(=O)C1=CCC(F)(F)CC1)c1ccccc1 2164074141 VSPIAKMFTAEIMH-HNNXBMFYSA-N 278.342 4.741 30 10 CJEE C=C(C)CC[C@H](NC)c1csc(-c2ccc(F)cc2)n1 2164163689 VSARTRNPZUVTJR-AWEZNQCLSA-N 290.407 4.566 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccccc1OC(F)(F)F 2164255112 OIVBVUVFVPPJPI-CYBMUJFWSA-N 287.325 4.592 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1ccc(F)c(Cl)c1 2164479083 DGZZFDSDSRGKCL-JKSUJKDBSA-N 297.801 4.797 30 10 CJEE CCCC[C@@](C#N)(CC)[C@]1(O)CCc2cc(Cl)ccc21 2164479485 HUTRUAUIBQNWRB-SJORKVTESA-N 291.822 4.584 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccncc1C(F)F 2166975876 YMOHFOYKEQFQNY-SWLSCSKDSA-N 282.378 4.662 30 10 CJEE CC(C)C1CCC([C@](C)(O)[C@]2(C#N)CCC[C@H]2C)CC1 2168381101 BAHYVCMWLRMNPY-UIJHXXCUSA-N 277.452 4.530 30 10 CJEE CCC1CCC([C@H](C)Nc2ccc(C#N)cc2F)CC1 2168395365 MBSGWSRPXDIPFQ-OPFPJEHXSA-N 274.383 4.714 30 10 CJEE N#C[C@@H](CN1CCC[C@H]1c1cccs1)C1CCCCC1 2169961353 KGAXGFKWWMGKSX-HOTGVXAUSA-N 288.460 4.605 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@](C)(CC)CC2)C1 2171388471 AWMJNBNVOREMPH-BDXSIMOUSA-N 276.468 4.607 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc2cccc(C)c2o1 2173291333 YDDJNSBDKBOHND-XJKSGUPXSA-N 271.404 4.994 30 10 CJEE CC(C)(C)c1ncc(C[C@@]2(C#N)CCCCC23CC3)s1 2173626277 PPQWNRGDKOJQCW-QGZVFWFLSA-N 288.460 4.847 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1ccc(F)cc1Cl 2173628129 DHGQKRMHFIKLJB-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE CC(C)(C)[C@@H]1CCSC(=NC[C@@H]2CCCCC2(C)C)N1 2173644060 FUJKCMGFEZNODT-KBPBESRZSA-N 296.524 4.700 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)Cc1cc2ncccc2s1 2173660760 SWEQZLQETOVLBF-KRWDZBQOSA-N 287.428 4.624 30 10 CJEE CN[C@H](CC#CC1CCCCC1)[C@@H]1CCCCC12CC2 2173675653 IGZJMJGKSSZATD-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCCCC(=O)c1ncncc1C 2175630293 WRNIJZAZONPXKL-UHFFFAOYSA-N 276.424 4.889 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]1(O)C=C(C)CCC1 2175788277 JXTISHSRQGJNLF-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cccc(F)c2Cl)CC1 2176159149 BNBKBQVQBKJFLL-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CCc3ccccc3C2)C1 2178412034 YREXCHYFHABEAP-GJYPPUQNSA-N 267.416 4.902 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H](COC)[C@@H](NC)C1 2183608878 MLRZYMXABRWOKV-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CNc1cc(Cl)c(F)cc1C#N 2184456703 USKMUKHYAVJYMX-YPMHNXCESA-N 294.801 4.835 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(C(C)(F)F)n1 2185927761 FLPMKLAQKWBKHM-CYBMUJFWSA-N 282.378 4.590 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@@H]1CCCC(C)(C)CC1 2187468148 LJFCONLWJUFYJI-SJORKVTESA-N 293.571 4.842 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)C1CCC(C(C)C)CC1 2187476594 NNPPFOVGCGMZDK-DAWZGUTISA-N 293.571 4.698 30 10 CJEE C=CC1(CN[C@@H](C)Cc2ccc(C)cc2)CCCCC1 2189518286 OMHVXQPTOATDBL-KRWDZBQOSA-N 271.448 4.652 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC23CC(F)(F)C3)CC1 2189552439 LQPSLGYJCJOPCN-SHARSMKWSA-N 284.390 4.988 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CC2CCC1CC2 2196170198 UWTCHVMIMPDOCP-WZOJCFFYSA-N 275.480 4.765 30 10 CJEE CC#CCCCC[C@H](NCCC)C1C[C@@H]2CCC[C@H]2C1 2196172216 QOVUOWNVYIBEJP-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE CCCCCCCN(C)Cc1ccccc1OC(F)F 2196714935 PDKZAQWSQUMAMD-UHFFFAOYSA-N 285.378 4.690 30 10 CJEE CCCCCCCN(C)CC[C@H](O)c1cccc(Cl)c1 2196726239 KDPKIUBJJKZKMA-KRWDZBQOSA-N 297.870 4.666 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCCCCC[C@@H]1N 2196737739 DHYOIILWJTVCPO-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCN(C)C1(CN)CCC(C)(CC)CC1 2196740940 JDVVCOOSGZSGDU-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE CCCCCCCOC[C@@H]1CC[C@@H](CNC2CCC2)C1 2202670801 KVLAYLFEDNGLLF-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(C(C)(F)F)cc1 2203793862 XNFHXCQPTFFFDV-INIZCTEOSA-N 280.358 4.806 30 10 CJEE C#C[C@@H](N[C@@H](c1cccs1)C1CCCC1)C1CCCC1 2204044294 OIMCOWHAGXBJSI-SJLPKXTDSA-N 287.472 4.761 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nnc(C2CC2)s1 2204815431 CYMDPGNEQNOJBL-CQSZACIVSA-N 296.480 4.980 30 10 CJEE C=CCCC[C@H](C)N=c1[nH]nc(C2CCCCCC2)s1 2204961622 SGOHYDXGVVYDDV-ZDUSSCGKSA-N 293.480 4.555 30 10 CJEE N#Cc1cc(Cl)ccc1OC1CC2(C1)CC1(CCC1)C2 2205162719 LOALPEFHUCLDFH-UHFFFAOYSA-N 287.790 4.703 30 10 CJEE CC[C@H]1CC[C@H](Nc2ccc(C#N)c3ccccc23)C1 2206129928 OBLGWHNDAWKXAQ-ZFWWWQNUSA-N 264.372 4.702 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H]1CCc2ccccc2C1 2206901625 DCXJMFWZCULDIJ-RBUKOAKNSA-N 271.448 4.645 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2C[C@@H]3COC[C@@H](C3)C2)C1 2206974785 HCYDBMKJNZAXNM-XLMAVXFVSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCN(C)CC[C@@H]1CCOC1 2207379581 QJRGSLDHRZGLLD-GOSISDBHSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCC(=O)CC[C@H]1CC[C@@H](N)C1 2207393374 VKGMBJAGYVFMDI-IAGOWNOFSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](N)c1ccccc1 2207402696 KWCNJVUWZGYRJQ-SFHVURJKSA-N 273.420 4.562 30 10 CJEE C=CCCCCCCCC[C@H](N)C1(COC)CCCC1 2207404708 UMEHWZNXFZHDOB-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCOc1cc(F)ccc1CO 2207405268 RCXWZDLTMCMQSD-UHFFFAOYSA-N 280.383 4.614 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@H](CN)C(C)C 2207409675 OCJZKKROEKWGBH-QZTJIDSGSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCC(C)(C)NC1 2207429306 HUFUXVZHEHZYGI-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ncc(Cl)n1C 2207429509 KBZIULNCHGVVCQ-CQSZACIVSA-N 298.858 4.804 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H](C)C1CCCC1 2207432550 QFLMBXHBMQHOGK-AEFFLSMTSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@]1(C)CCCOC1 2207436532 KWORAIAIMOMINW-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)C1(CCOC)CC1 2207445331 BCISQTRSAVMESC-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC1CC(=C2CC2)C1 2207454700 XLAGADODDSCFAR-KRWDZBQOSA-N 278.436 4.558 30 10 CJEE CCC(C#N)(CC)CCCC(F)(F)C(F)(F)F 2217222122 QBFCBJAQXIRKRH-UHFFFAOYSA-N 257.246 4.684 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CCC12CCC2 2220086140 PYFFQNKKUKYKDL-JKSUJKDBSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@](C)(O)Cc1ccsc1 2220092678 MDANJWBZUOMXSL-INIZCTEOSA-N 266.450 4.958 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1[C@H](C)C1(F)F 2223834137 QYZPUKBIEGRGKM-IHRRRGAJSA-N 262.384 4.779 30 10 CJEE C=CCCCCCCCCOCC(=O)C1CCCC1 2225690085 RDVYAWLLIDJOHE-UHFFFAOYSA-N 266.425 4.679 30 10 CJEE N#CCc1ccc(CSCCCCCC2CC2)cc1 2227202209 ZFPQBFGKJVFFNV-UHFFFAOYSA-N 273.445 4.956 30 10 CJEE C=CCCCCCCC[C@H](N)c1c(C)ccnc1C 2227274551 UPUUSEURACYHPP-INIZCTEOSA-N 260.425 4.615 30 10 CJEE CCCCCCCCCCO[C@@H](C)CNCCCC 2231027937 YMPDUFFTIHWUCS-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCOC[C@@H](C)NCC 2231075313 BAJFKEXLTQFKHN-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=CC[C@H](CNC1CCC1)CC1C[C@@H]2CCC[C@H]2C1 2231499159 GIOMDYZIAYFSNK-XIRDDKMYSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@H](C)NCc1cccc(C)n1 2231925558 NQFHISJERSGTKO-HNNXBMFYSA-N 262.441 4.619 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCC[C@@H]1NCC 2232535197 LKUZGUWDYSEWSD-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1O 2234049254 UVULOWJKIDAGHM-DLBZAZTESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCO[C@H](CCC)C(=O)OCC 2234049438 WLSKNZDWQSJGDX-MRXNPFEDSA-N 284.440 4.652 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1ncc(C#N)cc1C 2234437971 MPKZCRPBNFSFIJ-KRWDZBQOSA-N 274.408 4.636 30 10 CJEE N=[S@@](=O)(CC#CC1CCCCC1)CCCCCC1CC1 2235456821 CNSSPXCUAPWYNG-FQEVSTJZSA-N 295.492 4.587 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CSCCCC1CC1)NC(C)C 2235459033 YMZQKMPAWLNIPQ-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE C=CCCCCCCC[C@@](C)(N)c1ccc(OC)cc1 2235524520 QUXONLGPUICQFE-GOSISDBHSA-N 275.436 4.786 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1ccc(F)cc1F 2235537557 CKONRFZMJYAIRZ-INIZCTEOSA-N 281.390 4.751 30 10 CJEE CCCCCCC[C@H](CC12COCC(C1)C2)NCCC 2236294846 XHDOAJWLSLXASH-LXPRWKDFSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)[C@@H]1CC1(C)C 2239489781 LMKFWVZCKYNHMV-DLBZAZTESA-N 283.500 4.778 30 10 CJEE C=C[C@H](CCCCC)O[C@@]1(C(=O)O)CCC[C@H](C)CC1 2239494541 FDOBNTOQKJOFMJ-UXLLHSPISA-N 282.424 4.562 30 10 CJEE CCCCCCCCCO[C@H]1C[C@H](O)CC2(CCC2)C1 2239548459 ZWKBSUSORULQLB-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(C3CCC3)cc2)C1 2240259305 VZUYAWLSMCYAMK-HNAYVOBHSA-N 270.416 4.892 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H](C)C[C@@H]1C 2240573926 LZRKFLGIGMMTDA-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccnn1C(C)C 2240640968 WGDWDNCUBBSYLI-MRXNPFEDSA-N 279.472 4.693 30 10 CJEE CCCCCCCC[C@@H](C)NCc1n[nH]cc1C(C)C 2240643067 TUKZJUHXGNXESZ-OAHLLOKOSA-N 279.472 4.762 30 10 CJEE CCCCCCCCCOC[C@@H]1C[C@@H]2CCCC[C@@H]2N1 2240670214 GTTDZRUZZGINNH-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE C=CCCCc1sc(Br)c(C)c1C 2241381911 CQEGFFOUZWLRHH-UHFFFAOYSA-N 259.212 4.636 30 10 CJEE C=C(C)CC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2244405319 YEYRWTZYOUBRDO-CYBMUJFWSA-N 259.176 4.692 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(Br)c1 2244631411 LPKOMBIMBJSQMX-CQSZACIVSA-N 282.225 4.585 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1cc(Cl)sc1Cl 2245058707 UIKNUTKINDWSKL-RKDXNWHRSA-N 278.248 4.918 30 10 CJEE Cc1cc(OCCCCCCCS)ccc1Cl 2252621753 XFPIAJILDLHUJZ-UHFFFAOYSA-N 272.841 4.908 30 10 CJEE CCc1ccc(C#N)c(SC[C@H]2CC[C@H](C)C2)c1 2256669449 PKQJRYDGVDHYRD-JSGCOSHPSA-N 259.418 4.649 30 10 CJEE C[C@H]1CCC[C@@H](N(C)CCCCCCCS)CC1 2263210831 SBMZVSFORAHCMA-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)OC 2263718382 QKGDNGADSKJICZ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=CCCCCCC[C@H](N)C1(C)CC(C(F)(F)F)C1 2264521042 TXMRRRUSJCUOBN-MOKVOYLWSA-N 277.374 4.819 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@@H]1CCCCC12CC2)NCC 2264850016 XEYQEPDVCKHNLS-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H]2CC(F)(F)C23CCC3)CC1 2266267707 HOTLFJJUKJHMNO-QWHCGFSZSA-N 268.347 4.518 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1(C2CC2)CCCC1 2268729545 FOVFQUHPGCPJJE-UHFFFAOYSA-N 258.405 4.522 30 10 CJEE C=CCCCSC[C@H](NCC)c1ccccc1CC 2271494600 IPTZVNQWBZPJDK-KRWDZBQOSA-N 277.477 4.599 30 10 CJEE C=CCCCCCCCSc1nccc(CN)c1Cl 2271520188 SMMMWVZOUMFORT-UHFFFAOYSA-N 298.883 4.812 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C=O)CCCC(C)(C)C1 2271611987 YJEVROCUYKERAY-PBHICJAKSA-N 268.441 4.613 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CCCC1CC1 2273898387 RUDLHXHNTSPWST-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274130818 SVSQKBHQCJJYOO-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE N#Cc1cccc(CSCC2(C(F)(F)F)CCC2)c1 2274540319 QKMFXTHRIAUPIT-UHFFFAOYSA-N 285.334 4.524 30 10 CJEE CCCCCCC[C@@H](CC1CCCC1)OCCCN 2276450934 ZFBJEYMBQQPVPR-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC(=O)c1cccc(OCF)c1 2278488310 VPKZQQOTKXRXHP-UHFFFAOYSA-N 266.356 4.926 30 10 CJEE C#CCCCC[C@H](NCCC)c1cccc(OC)c1Cl 2283311621 PHPUHWSSHIQOBN-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE C[C@@H]1CC[C@@](CC=CC#CC(C)(C)C)(CNC2CC2)C1 2284084884 XEQDPYSMECOZQM-VQIMIIECSA-N 273.464 4.541 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@@]1(C)C=CCCC1 2284179654 ZREAOMWWBRZOIO-HKUYNNGSSA-N 273.464 4.707 30 10 CJEE Cc1cc2sccc2c([C@]2(C#N)CCCC(F)(F)C2)n1 2286142707 JRHGQBYPKDPDKU-CQSZACIVSA-N 292.354 4.575 30 10 CJEE C=CCCCSC[C@H](NC)c1ccc2ccccc2c1 2287065117 JHDAXFCCWOENPC-SFHVURJKSA-N 285.456 4.800 30 10 CJEE C=CCCCSCc1cc([N+](=O)[O-])c(C)cc1NCC 2287067737 IIOLCSXUFLDMST-UHFFFAOYSA-N 294.420 4.534 30 10 CJEE C=CCCCS[C@H](C)[C@H](NCCC)c1ccccc1F 2287076971 KRQKSYMDERYLFE-PBHICJAKSA-N 295.467 4.954 30 10 CJEE C=CCCCCCCCSc1ccc(CN)c(OC)c1 2287087050 LLDOKKXAWRRSOD-UHFFFAOYSA-N 293.476 4.773 30 10 CJEE C=CCCCCCCCSc1ccc(CCN)cc1F 2287097650 YDLAGXIFHGQUQM-UHFFFAOYSA-N 295.467 4.946 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2287466803 RKEFKHHVCIDAID-KCTOORRSSA-N 275.480 4.783 30 10 CJEE CCCCCCC[C@](C)(CC1=CCCC1)OCC(=O)O 2291419836 PIYYGRIAHGHOPQ-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CC(C)C 2291442984 DFDOGOMWPGVCLN-JKSUJKDBSA-N 284.440 4.665 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)C(C(C)C)C(C)C 2291473351 IAKYKPACMZPJBU-HNNXBMFYSA-N 284.440 4.521 30 10 CJEE CCCCCCCCCCC1(OCC(=O)O)CC=CC1 2291712128 SYEQTQHIRNCGDW-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H](F)C1)OCCCN 2293351311 KJNQNNSSQDDQEG-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H]1CC1(F)F)OCCN 2293553765 QIKDUNVZECXMJI-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@]2(C(C)C)C[C@H]12 2294361383 JUEQGIVGINFXMS-KSZLIROESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1sncc1C 2295597111 QYCRDNNWBCZTEW-MRXNPFEDSA-N 297.464 4.526 30 10 CJEE CCCCCCCCC[C@H](C)N=c1ccn(CCC)[nH]1 2295684438 MBHUEZIUFXBTJH-INIZCTEOSA-N 279.472 4.656 30 10 CJEE C=CCC[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2302371873 KSEFZMVSSBQJGH-AWEZNQCLSA-N 272.219 4.610 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@H](C)CC(F)(F)F 2304085991 LCOUTLFOAPFNSL-CMPLNLGQSA-N 250.304 4.527 30 10 CJEE CCC(F)(F)CCSCC1(CS)CC(C)(C)C1 2304518889 LBSNSYOOQXQWOB-UHFFFAOYSA-N 282.465 4.891 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2313177327 HFNWQAGBBDZMPH-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)SC[C@H](O)CC1CCCCC1 2313527327 QEZRIYFCFJPKPU-OAHLLOKOSA-N 268.466 4.572 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1CCC1(F)F 2313776341 SIPSBIDHOUDCGP-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CC(C)C1CCC(C=O)([C@@H](C)[C@H](C)C(C)C)CC1 2317821181 UFNDAFCEZIAALO-XNIRIUNOSA-N 252.442 4.946 30 10 CJEE CSc1ccc(OCC2(CS)CC(C)(C)C2)cc1 2321741237 LIWDNHOXJOHTDV-UHFFFAOYSA-N 282.474 4.524 30 10 CJEE C=C([C@@H](NC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2325209282 MVEBHCJPWQIAQC-CYBMUJFWSA-N 290.209 4.995 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1c(F)cccc1Cl 2327099486 INTQWJYMELISBW-CQSZACIVSA-N 290.831 4.840 30 10 CJEE CC1(C)CC(C)(COC[C@](C)(CS)C(C)(C)C)C1 2327112359 JOXLVJVXAVOVLL-MRXNPFEDSA-N 272.498 4.812 30 10 CJEE CCCCCCCCN[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 2334231172 XIDVBUPYYMSAOH-JCECYMMASA-N 263.469 4.761 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@@H](C)c2ccccc21 2337064663 WHNSWBXQZIEUAJ-LTCOOKNTSA-N 255.405 4.569 30 10 CJEE CCCCCCCC[C@@H]1NC[C@@H](C)C[C@H]1C(F)(F)F 2338014264 ZTURDGCTMDPDFJ-MJBXVCDLSA-N 279.390 4.914 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1C[C@@H]2CCC[C@H]2C1 2338741915 RJXOUOJIGSYUTJ-BQFCYCMXSA-N 261.453 4.559 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338786679 HSJNNMABEHBUFH-TXTZMMAHSA-N 263.469 4.783 30 10 CJEE C=C([C@@H](CCC1=CCCCC1)NCCC)C(F)(F)F 2340299742 UPKYOJRZXNYLIL-CQSZACIVSA-N 275.358 4.754 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1NCc1cc(Cl)cc(Cl)c1 2341217781 ABKSRUPUDNYVNS-SWLSCSKDSA-N 297.229 4.555 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(F)cc(C(F)F)c1 2341922721 LJJVKRBIAGRELJ-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(C=O)CCCC(F)(F)C1 2343370700 FKAYICYLUFMPCR-GZBFAFLISA-N 272.379 4.843 30 10 CJEE C=CCC(C)(C)[C@H](N)CC(C)(C)Cc1ccccc1 2344342625 LEIBNOMVLSEJAY-MRXNPFEDSA-N 259.437 4.575 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(C)CC(F)(F)C1)NCC 2344350090 YTZSOUXQNWWJLC-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@H]1c1cccs1 2352168906 NCHAZCAOMHNAKX-CJNGLKHVSA-N 297.533 4.867 30 10 CJEE C=C[C@@](N)(c1ccccc1)c1cc(F)c(Cl)c(Cl)c1 2352533571 ONDKFOUIJKCEQH-OAHLLOKOSA-N 296.172 4.521 30 10 CJEE C=C1CCC(CC(=O)c2cc(C(C)C)ccn2)CC1 2353002763 BLIKIWZPTLWYQZ-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE CSc1cc(NC[C@H]2CCC[C@H](C)C2)ccc1C#N 2353830786 OMZDEFUFONQNTR-STQMWFEESA-N 274.433 4.518 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H]1C[C@@H]2CC[C@H]1O2 2355048945 DFSBCIHPJGEEFJ-XWTMOSNGSA-N 281.484 4.802 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NC)[C@H](C)CC1CC1 2360331401 TVIGSJNVWQSJNC-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 222611 FAEWLOPIQSPBBJ-PQQLAPNWSA-N 294.181 4.879 30 10 CJEE CC(C)(C)c1ccc(Nc2ccc(C#N)cc2)cc1 21791534 RZQDFOGSNUMIDM-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE C#Cc1cccc(N[C@H](c2cccs2)C(C)C)c1 37185156 LBWWQUOWWVAVEX-INIZCTEOSA-N 255.386 4.539 30 10 CJEE N#Cc1ccccc1N[C@@H](CC(F)(F)F)c1ccccc1 37203109 WZWLTKTVQCYFFW-HNNXBMFYSA-N 290.288 4.664 30 10 CJEE CCCCCCCCOc1ccc(F)cc1[C@H](C)NC 59184491 PDYAUWOOSUEASZ-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCC[C@@](C#N)(CC)Nc1ccccc1Cl 69381375 ORKDCKZPGBTHKN-CQSZACIVSA-N 250.773 4.614 30 10 CJEE CCCCCCCCOc1ccc(C(C)=O)cc1C 79383186 XRERYKWRTUHZMM-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC[C@@H](C(C)C)CC2)c1 86921942 DEPDRYOLSSWIOW-IAGOWNOFSA-N 255.405 4.685 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)CC1 86922572 GOOPIGYMJOUMPA-HZPDHXFCSA-N 256.393 4.575 30 10 CJEE Cc1ccc(C)c(SCCCCCCS)c1 87096175 BTJMNNWRVTVRDY-UHFFFAOYSA-N 254.464 4.886 30 10 CJEE Cc1ccc(SC[C@H](CS)C(C)C)c(C)c1 87096222 BYWVNIDRLNNIIF-ZDUSSCGKSA-N 254.464 4.598 30 10 CJEE CCCC1CCC(C#N)(CCC[C@@H]2CCCO2)CC1 87959774 BMOMCFWTHYYCPX-AQFXKWCLSA-N 263.425 4.836 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCOc2ccccc2)C1 87972948 BQTSMSAPSNSAFL-DOTOQJQBSA-N 257.377 4.566 30 10 CJEE N#Cc1csc(CNc2cccc(Cl)c2Cl)c1 93685554 YYFTWCYKYSDXMQ-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Sc1ccccc1Br 93955910 QLMCRTHYPOEORU-ZWNOBZJWSA-N 296.233 4.624 30 10 CJEE CCC[C@H](CS)CSc1nc2ccccc2s1 94588990 DTBZNPHKJSMFRO-SNVBAGLBSA-N 283.487 4.735 30 10 CJEE C=CCCC[C@@H](CCc1cccc(C)c1)NCCC 97220148 PQMRBPJXALHJNX-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CCCCCCCCNCc1ccc([C@H]2C[C@@H]2C)o1 105942103 TZEDXRYQLWRTFH-HOCLYGCPSA-N 263.425 4.853 30 10 CJEE CCCCCCCn1nc(C#N)cc1-c1ccc(C)cc1 106589019 VPBNZHBSZPTGFT-UHFFFAOYSA-N 281.403 4.701 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCCC)c(C)c1C 107643745 NCJKEIMGKBOMBX-CQSZACIVSA-N 258.405 4.684 30 10 CJEE CCc1ccc([C@H](CC)Nc2ccc(F)c(C#N)c2)cc1 109947604 JPCFPHJSRITDJA-SFHVURJKSA-N 282.362 4.823 30 10 CJEE C[C@@H]1CCC[C@H](N(C)c2ccc(C#N)c(C(F)(F)F)c2)C1 110255257 RKGRICUMTRMXRA-YPMHNXCESA-N 296.336 4.592 30 10 CJEE C[C@H]1CCC[C@@H](Sc2ccc(C#N)c(Cl)c2)C1 110354427 VEKKFBXHBXFSQR-CMPLNLGQSA-N 265.809 4.882 30 10 CJEE CCCCCCCCCCNCC1(O)CCC(C)CC1 115637841 GFGLIDLXOXNCEA-UHFFFAOYSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCn1ccc(C[C@@H](N)CC)c1 117599642 WAJMATMFTJIQOJ-SFHVURJKSA-N 278.484 4.909 30 10 CJEE N#Cc1c(F)cccc1-c1ccccc1C1CCC1 122212676 BVLPXMMVGLGNMH-UHFFFAOYSA-N 251.304 4.632 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCNc2ccccc21 122603830 KIPVIOXORHLEOL-MRXNPFEDSA-N 273.420 4.906 30 10 CJEE CCCCCCCCCCN[C@H]1CCCC[C@H]1C#N 124838731 CNOUCPZEQLDRDM-IRXDYDNUSA-N 264.457 4.799 30 10 CJEE CC(C)c1ccc([C@H](C)Nc2ccc(F)cc2C#N)cc1 126279662 ONDLOVGIPRFNQT-ZDUSSCGKSA-N 282.362 4.994 30 10 CJEE CCCCCCC[C@H](CC[C@H](C)OC)NCCC 139569206 ZVAKWUZDUKVGTM-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCOC(=O)N(CC)CC 143497675 DTCUTWAYQOKYBT-UHFFFAOYSA-N 257.418 4.606 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@@H](C)CCOC 159230663 ZKUDMCDOYLYCNP-DLBZAZTESA-N 272.473 4.941 30 10 CJEE CCCCCCCCn1c(S)nc2ccc(OC)cc21 159399975 YVDBQFYGJKOHTK-UHFFFAOYSA-N 292.448 4.694 30 10 CJEE CCCCCCCn1ccc2cc([N+](=O)[O-])ccc21 159720872 AITDKLXEFXOTGY-UHFFFAOYSA-N 260.337 4.520 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCCS1 160971497 KPRVKMPOBUFJKO-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCN1CCc2cc([C@@H](C)NC)ccc21 162135878 NHCPGRZPHMHBAV-MRXNPFEDSA-N 288.479 4.690 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H]1CC 164024726 ONXPPHSGQMUQPY-UONOGXRCSA-N 261.434 4.955 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C(F)(F)F)c1F 164697363 NEUMUISXYKQRBH-CYBMUJFWSA-N 289.316 4.851 30 10 CJEE C=C(CC)C[C@H](NCCC)C1(OC)CCC(C)(C)CC1 166874869 RFQBTKRLFUTSBC-INIZCTEOSA-N 281.484 4.696 30 10 CJEE CC[C@@H](Nc1cccc(SC)c1C#N)c1cccs1 167584996 XHBAQBRKBMFYBR-GFCCVEGCSA-N 288.441 4.905 30 10 CJEE CC[Si](C#Cc1ccc(Cl)cc1)(CC)CC 197996841 QUGGASVOMAXWEG-UHFFFAOYSA-N 250.845 4.739 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1 218005550 LAMIDBSEJLYUNV-NTZUZEMLSA-N 288.479 4.750 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 228818671 IEJJURYJPOHOSR-HUUCEWRRSA-N 259.437 4.989 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NC)c2cc(C)ccc2O1 229266937 XTUBLCMCSREQJX-NVXWUHKLSA-N 275.436 4.767 30 10 CJEE C=CCCCCC[C@H](O)C(C)(C)c1ccc(F)cc1 232597038 QALKQNYBNURLMO-INIZCTEOSA-N 264.384 4.601 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2ccc(F)cc2Cl)CCCCC1 232827989 BWUYGSWMWYFBLE-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE CC[C@H](Nc1cccc(C)c1C#N)c1cccc(F)c1 234057719 GENITDOABHQORM-INIZCTEOSA-N 268.335 4.569 30 10 CJEE C=CCCCCCSc1cccc([C@H](C)NC)c1 234466126 GVYSZOGFDRTIGU-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE Cc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1Cl 235884485 FDJYDVXYTPGSED-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE O=C(C1=CCCCCC1)c1cccc2ccsc12 236393429 UWGXRGNHEOKNGN-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CCCCCCCCOCCCB1OC(C)(C)C(C)(C)O1 309967284 GBWXKYSQLHKSCI-UHFFFAOYSA-N 298.276 4.846 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](C#N)Nc1ccc(Cl)cc1 311691003 KIOPCAUZYVSLPG-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CC[C@@H](Nc1cccc(F)c1C#N)c1cccc(C)c1 312479477 TUZQUFIHZHAZPA-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE C[C@H]1CCN(CC2(CS)CCCCC2)c2ccccc21 312957922 MIEANXKWKKFGDK-HNNXBMFYSA-N 289.488 4.881 30 10 CJEE C[C@@H](C[C@]1(C#N)CCCC(C)(C)C1=O)C1CCCCC1 313546586 OGCQSGUJHNRNIH-KSSFIOAISA-N 275.436 4.882 30 10 CJEE C=CCOc1ccc(CNCc2ccc(C(C)C)cc2)cc1 315121052 NNFRUWKQDKHOKG-UHFFFAOYSA-N 295.426 4.665 30 10 CJEE CC[C@@H]1CCCC[C@H]1C1(C=O)CCC(C)(C)CC1 316823238 KPQCQKXEXSKXIB-HUUCEWRRSA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)c(F)c2)C1 317250501 DGUYLUMJZQOWSN-WBMJQRKESA-N 282.786 4.807 30 10 CJEE C#C[C@H](Nc1cc(C)c(F)cc1Cl)c1ccccc1 381099761 GRECYJDFFALJML-HNNXBMFYSA-N 273.738 4.574 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@](C)(OC)c2ccccc2)C1 384916219 OZSIDFQONZZESO-BPQIPLTHSA-N 271.404 4.658 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CCC[C@H]21 385931060 BTQIHDGOQJZXCC-JKSUJKDBSA-N 269.498 4.521 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(F)c(Cl)c1 387459940 PJWICTHVFLFHEU-INIZCTEOSA-N 299.817 4.501 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccccc2)cc1 395378880 JEFJXMPYFRJFLI-UHFFFAOYSA-N 265.400 4.655 30 10 CJEE C=CCCCNC(=O)c1oc2c(ccc3ccccc32)c1C 468393686 VPRBLVLZJXKVHP-UHFFFAOYSA-N 293.366 4.590 30 10 CJEE C#CCCCCCC(=O)c1cc2cc(C)ccc2o1 686696378 BAHZDOMMEXWOQN-UHFFFAOYSA-N 254.329 4.508 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccccc1SC 686698881 MYMWGNBDOSIECD-MRXNPFEDSA-N 275.461 4.643 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@]1(C)CCOC1 687388165 MBYYFRQGMRHWJR-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CC[C@@H](C)C[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316616 VACPRZHUZAZMEY-ZIAGYGMSSA-N 265.441 4.530 30 10 CJEE CCCC1CCC(C=O)(C[C@]2(C)CC2(F)F)CC1 689306148 UEKJBHRFKGEYLN-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(C3CCC3)c2)c1 690289450 NKSGRNIRQJJCRV-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCN[C@@H](C)C1 691695537 FEXYDYAJLXSJSU-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCCC[C@H]2C2CC2)c1 696140855 BDCRCZNOSOMVOK-DZGCQCFKSA-N 274.795 4.592 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)C3CCCCC3)C[C@@H](C1)C2 697294421 CMTWIYRCHKBTJV-LTBNCBHWSA-N 261.453 4.680 30 10 CJEE Cc1nc(N[C@H]2CCCC(C)(C)CC2)c(Cl)cc1C#N 697561692 DRUIXGIELQQLOO-ZDUSSCGKSA-N 291.826 4.686 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CCCCN1C 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724592091 IVNWRYANUIUYIW-UHFFFAOYSA-N 268.400 4.814 30 10 CJEE SCCCCCCCCCN1CCC(C2CC2)CC1 724811607 KQANBKUQPHGFND-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CC1(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)CCCCC1 1135509440 STNVGUJEYLJASX-SJORKVTESA-N 289.463 4.552 30 10 CJEE C=CCCCN1CCC[C@@H]1c1ccc(Br)cc1 1167582933 XUFULKDPNKLWPX-OAHLLOKOSA-N 294.236 4.552 30 10 CJEE C=CCCCNCc1sc2c(Cl)cccc2c1C 1178629236 LYQVOTJUIYQOHJ-UHFFFAOYSA-N 279.836 4.919 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@@H]1CCC[C@@H]1CCCC 1221757861 URHFZWVLUBYDLL-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE N#Cc1cnc(Nc2c(Cl)cccc2Cl)c(Cl)c1 1250029181 AKDZEIVDBBEDBB-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCC1(NCc2ccc(OCC)c(F)c2)CCCCC1 1308404353 RZAZORARGSFHLR-UHFFFAOYSA-N 291.410 4.593 30 10 CJEE C=C(CC)CNC/C(C)=C\c1ccccc1C(F)(F)F 1308434984 BXTIMJBCOBJWRR-LCYFTJDESA-N 283.337 4.665 30 10 CJEE C=CC1(CC(=O)N2CCC[C@H](C)[C@@H]2CCC)CCCCC1 1361128268 VQFAEKOGQXQLAL-IRXDYDNUSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)NCC2(C)CCC(C)CC2)CCCCC1 1436134801 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279.374 4.859 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1C[C@H]1C(F)(F)F)NCC 2203788011 TUZKEGKVKLQSGQ-RRFJBIMHSA-N 289.385 4.527 30 10 CJEE C#C[C@@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)C1CCCCC1 2203788742 BNWYHKIBYDFIHI-KBAYOESNSA-N 275.480 4.763 30 10 CJEE CCCC#CC[C@@]1(CNCC(C)C)CCCC12CCC2 2203818917 JJTHSJJVPULEIZ-IBGZPJMESA-N 275.480 4.766 30 10 CJEE CCCCCC#CC[C@@H](CCCc1ccccc1)NC 2203829075 TXPLCMQZNRFMLJ-IBGZPJMESA-N 271.448 4.571 30 10 CJEE C=CCCCCCC[C@@](C)(O)c1ccccc1OCC 2206902264 IJJXWGZNHJHNHV-GOSISDBHSA-N 276.420 4.819 30 10 CJEE C=CCCCCCCCCC1(C#N)C[C@@H]2CC[C@H](C1)N2 2207372312 FCJYYFWEFJVLBD-JWTNVVGKSA-N 274.452 4.718 30 10 CJEE C=CCCCCCCCCN(C)CC1(CCOC)CC1 2207373797 NBRKNWCXLSKOEA-UHFFFAOYSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCC[C@H]1CC[C@H](COC)C(=O)C1 2207376007 VXIWAFSQORJBAS-DLBZAZTESA-N 280.452 4.925 30 10 CJEE C=CCCCCCCCCCO[C@@H](CC)CNC1CC1 2207427237 KWGOXOBUIKHWHL-SFHVURJKSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](N)C1CCCC1 2207429274 HOGCOJSUZRTJDQ-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC(=O)c1cc(C)nnc1C 2207432009 LFHYUUCXEIPDPX-UHFFFAOYSA-N 274.408 4.583 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1CC(C)(C)CO1 2207434530 DEUKDTIGKHRVJE-SJORKVTESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC(=O)c1snnc1CCC 2207438803 UTBGUEDSVVUBNU-UHFFFAOYSA-N 294.464 4.980 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1CCCCCN1 2207440681 DXBWKJDXOGOJGH-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCC[C@H](O)C12CCC(CC1)O2 2207441844 LOTDVLREVBLILZ-ADKAHSJRSA-N 280.452 4.756 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@@H](C)C(C)(C)CC 2207451571 YBRSSNIVJPHEHT-DLBZAZTESA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CC1CCC=CCC1 2207457523 PIHKISDPAOEDMA-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE CCCCCCC[C@@H](NC)c1scc(C)c1C 2213653762 GNFISLFCNRBZTL-CQSZACIVSA-N 253.455 4.986 30 10 CJEE C=CCCCCCCC[C@@]1(C#N)CCCSC1 2214614607 BEFHRYPNYZXTFF-HNNXBMFYSA-N 251.439 4.940 30 10 CJEE CCCCCCCOc1cc(Cl)cc(C=O)c1 2217363511 KJHXPEVHOHNREH-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218342872 FVZREDSWODUXPZ-LTIDMASMSA-N 250.426 4.700 30 10 CJEE CCCC#C[C@H](O)C1CCC(CCCCC)CC1 2218571126 YZBJATXJSKDNIE-JCYILVPMSA-N 250.426 4.538 30 10 CJEE C=CCCCCCCCN[C@H](C)[C@@]1(C)CC1(F)F 2220085233 LGAFVOSSVMOMEQ-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCCSC1 2220095122 YQZQEZHWXQVZBR-CVEARBPZSA-N 269.498 4.634 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(F)cc(Cl)c1 2225417213 MLMQFIUVJVWDSG-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE CCCCCC#CC[C@@H](O)Cc1cc(Cl)ccc1Cl 2225667925 RKMKTTXJISDEOE-OAHLLOKOSA-N 299.241 4.871 30 10 CJEE C=CCCCCCCC[C@]1(O)CC[C@H]2[C@H](C1)C2(F)F 2227273592 RDJLXSNWBSZIRR-KKUMJFAQSA-N 272.379 4.699 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)Cc1cccc(Cl)c1Cl 2227509457 SHWAJXPTKSBLIA-ZDUSSCGKSA-N 298.257 4.564 30 10 CJEE C=CC1(C[C@@H](CCCC(F)(F)F)NCCC)CCC1 2229873284 XEQUBQSYVXZZCN-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)CC1(C)CC2(CC(F)(F)C2)C1 2230619541 XVTKVXUGAYIORV-IUODEOHRSA-N 267.363 4.922 30 10 CJEE CCCCCCCCCOc1csc([C@@H](C)NC)n1 2231066945 YVWNYPSUCACNCV-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](c2cccs2)CO1 2231854698 GMUNNNUUXXHUOO-GDBMZVCRSA-N 281.465 4.876 30 10 CJEE CCCCCCCC[C@]1(C)CC(=O)NC1(CC)CC 2231858388 YAKOMKFMZHCMRA-MRXNPFEDSA-N 267.457 4.822 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)Cc1ccco1 2231945418 FXDGXUSTXLIFTJ-HZPDHXFCSA-N 265.441 4.939 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H]1CCCCC12CCC2 2233781815 KAJFRMWKNCHMNJ-DLBZAZTESA-N 275.480 4.765 30 10 CJEE C=CCCCCCCC[C@@H](NCC)C1CC(OCC)C1 2235522816 YKLGRPFINQQTLH-DAWZGUTISA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](CCc1ccccn1)NC 2235524546 RCKNAUIEDFRCTN-QGZVFWFLSA-N 274.452 4.519 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)C1 2238172841 DFYPFVJGJUCKPY-SUMWQHHRSA-N 274.383 4.736 30 10 CJEE CC(C)(C)C#CCN[C@@H](CC(C)(C)C)c1ccccc1 2239142854 VLKYEIXXRLLXMG-KRWDZBQOSA-N 271.448 4.803 30 10 CJEE N#Cc1ccccc1NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2239236834 GPZPPZYKFKZWAS-OWCLPIDISA-N 268.404 4.577 30 10 CJEE CCCCCCC[C@](C)(O)C#Cc1ccc(CC)cc1 2239667708 YWPIQRZLHBYDKF-IBGZPJMESA-N 272.432 4.712 30 10 CJEE C=CC[C@H]1CCCCN(Cc2ccc(C3CC3)cc2)C1 2240376350 ZAIPJENLJPDFMX-INIZCTEOSA-N 269.432 4.742 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(OC)c1F 2240614060 YMUNMBOJBUAPLQ-QGZVFWFLSA-N 281.415 4.759 30 10 CJEE C=CC(C)(C)CO[C@](C)(CCCCCCCC)C(=O)O 2240617627 HJXYLGOFTMQKQL-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H]1CCCOCC1 2240641581 CCURLEICVBSNAL-ROUUACIJSA-N 283.500 4.922 30 10 CJEE O=C[C@]1(Cc2cccc3ccoc23)CCCCC12CC2 2241179137 UDUSTZJECBGWSA-GOSISDBHSA-N 268.356 4.515 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCCC2CCC2)C1 2249229182 MKZAIKOABGVGQD-SNPRPXQTSA-N 251.439 4.628 30 10 CJEE CCC[C@@H](CS)COCC[C@H]1CCCCC12CC2 2253891097 OLXXCTNGDYTKGA-HUUCEWRRSA-N 270.482 4.710 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1csc(Cl)c1OC 2256830567 LOIOYHYIJLXKNV-GFCCVEGCSA-N 287.856 4.807 30 10 CJEE CCCCCCCCCC(=O)O[C@H](C)C(F)(F)F 2258209812 KYVYZSVLBNRTCW-LLVKDONJSA-N 268.319 4.621 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C(F)(F)F)cs1 2259194070 ILMWISAFALFRDT-LLVKDONJSA-N 277.355 4.903 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCC(F)(F)C1 2259196722 NZLQBESFFSONAO-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](C#N)CCC 2263717147 FYIFXPDBKJOWAX-JKSUJKDBSA-N 253.430 4.818 30 10 CJEE CCCC[C@@H](C)CC[C@H](O)CC=CC#CC(C)(C)C 2268833463 OXLGGLJUCIFYFX-IAGOWNOFSA-N 264.453 4.950 30 10 CJEE Cc1cc2sccc2c([C@]2(C#N)CCCC[C@H]2C)n1 2270608117 IVOZFKCKDQQZOX-BZNIZROVSA-N 270.401 4.576 30 10 CJEE CC(C)(C)CC1CC(C(=O)C2=CCC(F)(F)CC2)C1 2274204428 QSBQTYQJWKSQOZ-UHFFFAOYSA-N 270.363 4.764 30 10 CJEE C=CCCCCCC[C@@H](OCCN)[C@H](CC)CCC 2276147779 MENHDEVXURDMBK-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(C)sc1C 2277003914 PVNRSMJQYGFNDD-MRXNPFEDSA-N 281.465 4.518 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@@H](N)CC 2278125790 XMBJPQMCHUBNIJ-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cc(C)ccn1 2278156725 PZAYKOFAUUQMHV-KRWDZBQOSA-N 263.425 4.738 30 10 CJEE CC(C)[C@@H](CCC(F)F)Nc1cc(Cl)ccc1C#N 2278796481 FOOMPWSXIRCAFS-GFCCVEGCSA-N 286.753 4.693 30 10 CJEE C=CC1(C[C@H](NCC)[C@H]2CC[C@H](C(F)(F)F)C2)CCC1 2279667196 BLAYMUYUIQVRDC-IHRRRGAJSA-N 289.385 4.690 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CC[C@H]2CCCC[C@H]2C1 2284077193 PZCCOOKRYANUMT-AOIWGVFYSA-N 274.448 4.704 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](N)CC=CC#CC(C)(C)C)CC1 2284100735 JEOHFIXZZDVACD-FGTMMUONSA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@@]12CCCC[C@@H]1CCC2 2284135069 LCQLIPLCZCPKTO-ZIFCJYIRSA-N 274.448 4.704 30 10 CJEE C=CCCCCCCCSc1cc(F)cc(CCN)c1 2287097307 UOQGGYXQKJGODC-UHFFFAOYSA-N 295.467 4.946 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1csc2ccccc12 2289783574 FSQHMEUAULNIRN-QGZVFWFLSA-N 283.440 4.746 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCC=C1CC 2290622097 FGKBAODZJNCWKO-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@H](CC1CC(C)(C)C1)OCC(=O)O 2291242888 UAZYWSHBEUDRIS-OAHLLOKOSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](CCCCC(F)F)OCCN 2292696716 QGWZIYWGMAGXHO-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE C=CCCCCCC[C@](OCCCN)(C(C)C)C1CC1 2292776188 JQVUECPETIFUQG-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]2C[C@@H]2C1 2293927759 PHFUEBZWSBSECC-MHORFTMASA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1C[C@@H]2CC[C@@H]2C1 2294593796 DSNNRSBAWVFEFI-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@](C)(OCCN)c1cc(C)cc(Cl)c1 2294651564 MMOMXONHQPBMEJ-KRWDZBQOSA-N 295.854 4.585 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1cc(Cl)ccc1Cl 2298825089 WKQMEUNPUYHUGJ-NOZJJQNGSA-N 290.259 4.691 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)NC)c(Cl)c1 2298941935 HTYIXGDDNHBNAI-GHMZBOCLSA-N 269.841 4.677 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)ccc1C 2304040288 DYUJCHSLPBBIEY-HUUCEWRRSA-N 251.801 4.641 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc(Cl)cc1 2307145435 QJASECWAZWIESU-AWEZNQCLSA-N 272.841 4.701 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)N)cc1C 2313695303 LTLBWVTUGCMFKE-ZDUSSCGKSA-N 261.434 4.628 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)c(C)c1F 2321095815 MLXVQOIGGQCVRH-HUUCEWRRSA-N 269.791 4.780 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc2ccsc2c1 2321113736 QVJOIUOCRFXBRZ-JKSUJKDBSA-N 259.418 4.894 30 10 CJEE CC1(C)C[C@@H](OC[C@](C)(CS)C(C)(C)C)C1(C)C 2327160750 OEJYFIPQRIWFMD-MLGOLLRUSA-N 272.498 4.810 30 10 CJEE C=CCC(CC=C)SCc1cc(Cl)cc(N)c1C 2327888218 XUKBKNSUWDPFBF-UHFFFAOYSA-N 281.852 4.985 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329817486 MTOASLMAOBHXQF-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE N#Cc1cc(Cl)cc(OC(CC2CC2)CC2CC2)c1 2335180496 JZFRZFGKNIUUNK-UHFFFAOYSA-N 275.779 4.559 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2337068268 YQDAUPKMUKPYNC-ZKXLYKBJSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CC(C2CCCCC2)C1 2337107958 ZHZVNUBADWZXLZ-AQEOSJORSA-N 261.453 4.680 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cc(C)oc1C 2338732819 MJPKOJUTJLXBNK-KRWDZBQOSA-N 261.409 4.706 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2338743315 DOSAHEFAZIVZTL-ULQDDVLXSA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@]1(C)CCCC(F)(F)C1 2338745929 BBCCXDDZNDVLET-CABCVRRESA-N 271.395 4.558 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2339082795 OVGDMRUXYAAWPW-BPUTZDHNSA-N 260.421 4.908 30 10 CJEE CCCCCCC[C@@H](NC)c1ncccc1C(C)C 2340241617 ICVYRFGUELTFQO-MRXNPFEDSA-N 262.441 4.826 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCOCCC)NCCC 2344337113 OEAFXFCUIXUVID-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccccc1C(C)C)NCC 2344339222 HLLXJMMDEVENBK-MAUKXSAKSA-N 259.437 4.543 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](C)CC(F)(F)F)NCCC 2344342081 HDIOJMKNCBEGFN-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1[C@H]2CCCC[C@H]21)NCCC 2344349005 PKBSPCLOIWXMRU-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]1C1CCCC1)NCCC 2344375189 MGNADBPMLZCYQU-RANZSIQMSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1cc(C)cc(C)c1C 2344460075 NZBUYEGBEANRLR-ZWKOTPCHSA-N 260.421 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1nc(C)c(C(C)(C)C)s1 2344470472 ZMDKEINXNOLMQA-MLGOLLRUSA-N 281.465 4.775 30 10 CJEE C=CCC(CC=C)S[C@@](CC)(C(=O)O)[C@H]1CC1(C)C 2351989762 JHLZMNNEPDNXND-XJKSGUPXSA-N 282.449 4.520 30 10 CJEE CCCCCCC[C@](C)(SCCC(C)(F)F)C(=O)O 2352193538 NLZBBWKAYUHFFG-ZDUSSCGKSA-N 296.423 4.969 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1OCC[C@@H]1C)NC 2358322631 SQRDTHLRPRQJFV-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCNC[C@H]1[C@H]2CCC(F)(F)[C@@H]12 2358323526 OSTGTTXNKGYNIQ-OWCLPIDISA-N 285.422 4.784 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCO[C@@H]1C 2360180386 YDOJSFAOQZMIPS-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)cc(F)c1CNC1CCC1 2360367863 ZGMKLDXNNRMXFQ-CYBMUJFWSA-N 293.451 4.833 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(Cl)ccc2C#N)cc1 36954396 PFBMZWSFUJQNDU-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1cccc(Cl)c1 37344464 OKGHVIVFLUCSGX-IUODEOHRSA-N 277.795 4.733 30 10 CJEE N#Cc1cc(NCc2cccc(Cl)c2Cl)ccc1F 51634980 ZYMKAZSKZXXTRM-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1cccs1 52902759 HKDAIZZIILCFOI-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE CCC1(CC)CS/C(=N\c2ccc(C)c(Cl)c2)N1 53045080 AMIFSIGXNSQFFW-UHFFFAOYSA-N 282.840 4.531 30 10 CJEE Cc1ccc(N[C@@H]2CCCC[C@H]2C#N)cc1C(F)(F)F 54827583 QUAFILCPPYSELB-SMDDNHRTSA-N 282.309 4.508 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCC1)c1ccc(F)cc1Cl 62610358 PYRKFCNBZHCZIR-CQSZACIVSA-N 293.769 4.626 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 68603206 RJORYNXIYKFROT-WCQYABFASA-N 296.336 4.958 30 10 CJEE CC(C)(C)[C@@H](CS)CSCc1ccccc1 87097311 BTXBULPLMSEOAY-ZDUSSCGKSA-N 254.464 4.512 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](CC)C(=O)O 88230976 IILVAGYPLJKNMZ-INIZCTEOSA-N 285.472 4.702 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC[C@H]1CN 91323570 OCWPPMPOFBGDCR-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCCc2sccc21 97220693 FLDZDLAXWSGAFL-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE CCCCCCCNCc1cccc(OC(C)C)c1 100027424 MEYMEXBKQOVMBY-UHFFFAOYSA-N 263.425 4.534 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1[C@H](C)O 105100384 HMLUDZTVJISIBE-GJZGRUSLSA-N 263.425 4.901 30 10 CJEE CCCCCCCCCC[C@H](COCCC)NC 109733549 KMXRXSSTCDDNGQ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(F)c(Cl)c1 110518594 ZMVTXZUWYLXUOA-CQSZACIVSA-N 257.780 4.839 30 10 CJEE CCCCCCCOc1cccc2c1CCC[C@@H]2NC 116379125 VCVNCTNFRQWBHZ-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCSc1cc(F)ccc1N 118298128 RNYCZMZLQNMDNL-UHFFFAOYSA-N 255.402 4.861 30 10 CJEE CCCCCCCSc1cc(Cl)ccc1N 118718053 MHDRBPWWQHMJCW-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCCCOc1nc(Cl)ncc1Cl 118846412 NDQORVKESQVXIE-UHFFFAOYSA-N 277.195 4.523 30 10 CJEE CC1CCC(Oc2ccc(C#N)cc2C(F)(F)F)CC1 122384306 QLEYDRXXCQQVSM-UHFFFAOYSA-N 283.293 4.535 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1cc(F)ccc1Cl 124210069 JDOQKHOMEIDALM-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCCCCC[C@@]1(O)CS[C@@H](C)C1 124539486 JDIZKTXBQTXGMF-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CSCCS1 125158334 NBRJALKDTSIJIT-CABCVRRESA-N 289.554 4.693 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2Cl)C1 126012472 CAMJFICSPMNUNC-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(N)c(C#N)c2)c1 127714834 GRCVJBZUXFUTBR-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCCCCNc1cc(OC)c(F)cc1N 129224995 IAXOGBQOFYUSHB-UHFFFAOYSA-N 296.430 4.969 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](C)N)cc1F 131516407 PZDWROHHQMHHTP-CQSZACIVSA-N 281.415 4.975 30 10 CJEE Cc1cc(Nc2ccc(Cl)cc2Cl)ccc1C#N 133318715 CYURHLROKUUEDH-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCC[C@H](COC(C)(C)C)NCC 139403295 SPCLVDCGYXTQPQ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC(=O)[C@H]1CNc2ccccc21 158022534 BJQKLNCPEGLPKV-HNNXBMFYSA-N 259.393 4.515 30 10 CJEE C=CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC 222605067 ABJQNFUPGHQIMO-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473084 ULEYWCKFKADDEU-WZRBSPASSA-N 280.824 4.546 30 10 CJEE CCCCCCCCC[C@H](Cc1ccco1)NC 229191340 JTIBGVMJYFHNTK-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cn(C)cn1 232915659 YAXQXPGEFZEVDN-KRWDZBQOSA-N 280.456 4.765 30 10 CJEE CCN(CCCCC(C)(C)C#N)c1ccc(C)cc1 233444220 GBAGSNFFXQZIDW-UHFFFAOYSA-N 258.409 4.541 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 233906061 RYCPWVBNVIWXOB-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@@H](C#N)Nc2ccc(Cl)cc2)C1 235364825 BZEXUVIAIMEYCZ-DETPVDSQSA-N 274.795 4.636 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](C#N)NC1CCCCCC1 235760464 SSEUISIWEFQGMO-MRXNPFEDSA-N 276.811 4.526 30 10 CJEE CC(C)(C#N)c1csc2cccc(C(F)(F)F)c12 259936448 FOGRTFDCKCEKSG-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCC(F)(F)C1 302272981 AXIXQTKXJUZMQY-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE CC(C)(C)C#CC[C@H](O)c1cc2cc(F)ccc2s1 311358002 ZEKGLBZOIYELQI-ZDUSSCGKSA-N 276.376 4.513 30 10 CJEE CCC1CCC([C@@]2(C#N)CCc3ccccc32)CC1 311392167 RBRSOXVHJJFOCZ-PVARCSIZSA-N 253.389 4.611 30 10 CJEE Cc1cc(S[C@H]2CCCC[C@H]2C#N)nc2ccccc12 312305332 OMBLWVZGLLZNDY-BBRMVZONSA-N 282.412 4.718 30 10 CJEE CCC[C@H](Nc1ccc(Cl)c(C#N)c1)C1CCCC1 313402186 VKNKYWBTHYLSIG-INIZCTEOSA-N 276.811 4.982 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@]2(C=O)CCCc3ccccc32)C1 316516629 XUUIKTMXDCHEAU-SUMDDJOVSA-N 270.416 4.676 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC2CC(F)(F)C2)CC1 316771378 DWSWQMGOZZQLGH-UHFFFAOYSA-N 272.379 4.843 30 10 CJEE C#CCCCC1(CNC2CC2)CCC(CCC)CC1 317727029 KPWRTIMRASDBCX-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1c(F)cccc1Cl 320202115 QROMPSKYMQBKCZ-AXFHLTTASA-N 253.748 4.768 30 10 CJEE CCCCCCC[C@@H](NC)c1coc(Br)c1 382407927 SOWFECGBHOXYCU-GFCCVEGCSA-N 288.229 4.663 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(Cl)ccc1F 384881106 QWEZOPKSFJTAHM-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=C(C)CCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 386951782 XQJDRDRCASAHCV-KBAYOESNSA-N 257.421 4.515 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccsc2Br)C1 389059000 CGVQHECFNBWFCG-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CO)[C@@H]1C 395231253 ZYMHMTLLXCTCAA-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CC[C@H](C)N(CC[C@@H](C)CCS)Cc1ccccc1 395713861 RIYMKERXHLJYGY-CVEARBPZSA-N 279.493 4.633 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1cccc(Br)c1 397493416 BQKCPJQXGQKWHE-JTQLQIEISA-N 298.249 4.727 30 10 CJEE CSc1cccc(NC[C@H]2CC3CCC2CC3)c1C#N 400091728 KXRKXRNJQXEHSP-JXQTWKCFSA-N 286.444 4.518 30 10 CJEE CCC(=CC(=O)C[C@H](CC)CC(F)(F)F)CC 402301313 PEFJHTVWKMJDFU-NSHDSACASA-N 250.304 4.671 30 10 CJEE Cn1c2ccc(C#N)cc2c2cc(C(C)(C)C)ccc21 527412258 RLACRQJPXZGCTI-UHFFFAOYSA-N 262.356 4.501 30 10 CJEE CCCCCCC[S@](=O)Cc1cc(C)ccc1C 586378762 VDCJTXUBAPRHKE-SFHVURJKSA-N 266.450 4.523 30 10 CJEE O=CC1(CC2(c3ccccc3)CCCC2)CCCC1 686741285 VRDXLGIBOYZUTH-UHFFFAOYSA-N 256.389 4.648 30 10 CJEE CCCC1CCC(C=O)(CC[C@H]2CCCCO2)CC1 688058300 OOKXJRMDJKDXTG-AQFXKWCLSA-N 266.425 4.511 30 10 CJEE CCC1(CC)CCCN(c2ccc(Cl)cc2C#N)C1 690345392 BJRAWFYZGWZING-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(F)c1F 692235214 QDBVZFHMLHSCFE-WOSRLPQWSA-N 279.374 4.750 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc(Cl)cc(Cl)c1F 692378041 QBFLYHKFDPMQHN-SECBINFHSA-N 290.209 4.995 30 10 CJEE C#CCCCCC(=O)Nc1ccc(CCCCC)cc1 692876730 OTZGVHZVRFDXNC-UHFFFAOYSA-N 271.404 4.551 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693306202 KSYHHUUUZWQSHE-XGUBFFRZSA-N 273.411 4.746 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1cc2cscc2s1 693991456 AEAFXRBEKUSWAP-ONERCXAPSA-N 291.441 4.716 30 10 CJEE CCC[C@H](Nc1ccc(Cl)cc1C#N)C1CCCC1 695666119 JWXBIHJWRCRCNY-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 698981310 NIVDOVLOIVPSHY-KRWDZBQOSA-N 294.439 4.639 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@]1(C)CC1(C)C 702199523 AKTHSUAVVOJILG-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H]2C[C@H](C)CC[C@H]2C(C)C)N1 703727787 XDCAYCIHCWNPKJ-QLFBSQMISA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](N)C1CC1 708517615 QWWGFWUOEPSGIA-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCCC[C@@H]2C)CC1 709141190 GEMKMYKNHOHUMI-FCCDEINASA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](O)C1C[C@H]2[C@H](C1)C2(F)F 710516224 RFXAHTIRTURMSR-KKUMJFAQSA-N 274.395 4.779 30 10 CJEE CCCCCCCCC[C@@H]1[C@H](NC)CCN1[C@@H](C)CC 712034868 TWJDUOYQAHVATP-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CCC(F)(F)C1 713006604 HKYKCTPBZQFGFY-GFCCVEGCSA-N 283.387 4.812 30 10 CJEE CCCCCCCC[C@H](N)CC[C@@H]1C[C@@H]1C1CC1 714780544 NNEUCOMGFYSCOB-IXDOHACOSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@H](C)NCC[C@@H]1CC[C@H]2C[C@@H]12 717172200 MFOADRUIIIMLPL-QAETUUGQSA-N 251.458 4.761 30 10 CJEE C=CCCC(C)(C)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 717914920 AQBHKJVXFKRZCN-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@H](NCC)c2c(F)cccc2F)CC1 724567422 XAIPEABEBJKLKZ-INIZCTEOSA-N 279.374 4.752 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(CSC)cc1 724704344 HHAGTGHQMGQRQE-QZTJIDSGSA-N 289.488 4.774 30 10 CJEE CC/C(=N\OCc1ccccc1C)c1ccc(CC)cc1 821217105 BOLMSMXVDYKCTC-FMQUCBEESA-N 281.399 4.888 30 10 CJEE C=CCC(CC=C)C(=O)Nc1csnc1-c1ccccc1 1126237263 MQVRDBVVDBPAQV-UHFFFAOYSA-N 298.411 4.517 30 10 CJEE C=C[C@H](C(=O)N1CCCC1(CCC)CCC)c1ccccc1 1177013517 NAZVFWVRUAGRSR-SFHVURJKSA-N 299.458 4.918 30 10 CJEE C=CCCCCCN(C)CCSC1CCCCC1 1307485527 JKHYYHSVMVXHSU-UHFFFAOYSA-N 269.498 4.731 30 10 CJEE CCCCN(C[C@H](C)CCC#N)[C@@H]1CCC[C@@H](C)C1 1308789670 HCSVMCXDEUZPCS-BRWVUGGUSA-N 264.457 4.607 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(-c2ccccc2)cc1 1350948922 KATIGNFUOJGGOC-UHFFFAOYSA-N 280.367 4.861 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccccc1 1357220057 PGCHGVBREPMFFI-ROUUACIJSA-N 297.373 4.521 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H](CCC)CCc1ccccc1 1361009435 MLQXHRBEALMGSQ-IEBWSBKVSA-N 287.447 4.506 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H](CCC)CCc1ccccc1 1361009437 MLQXHRBEALMGSQ-PKOBYXMFSA-N 287.447 4.506 30 10 CJEE C=C(C)CCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 1436080977 LINKSNZJUQGWPJ-INIZCTEOSA-N 291.822 4.750 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC1CCC=CCC1 1476482237 KICNXAGUNLNMPF-UHFFFAOYSA-N 298.430 4.673 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccccc1 1520010463 AYTABOZZCWYDHQ-ISARSNTHSA-N 299.458 4.882 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CC)c1ccc(Cl)s1 1521824407 LWTUQPVBIJJAQQ-WDEREUQCSA-N 285.840 4.571 30 10 CJEE C=CC1(CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1 1531462968 LGKRXDLPWBTALV-IAGOWNOFSA-N 289.463 4.598 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C(C)=C/c1ccc(C)cc1 1534589322 WJLAPLNOLSULRF-DTQAZKPQSA-N 285.431 4.507 30 10 CJEE C#CCCCCCCN1CC[C@@H](c2ccc(CC)cc2)C1 1559871021 NNFWNIVLNRSMNI-HXUWFJFHSA-N 283.459 4.622 30 10 CJEE C=CCN(Cc1cccs1)Cc1ccsc1Cl 1560725773 PIDJQMVRRSKVHI-UHFFFAOYSA-N 283.849 4.651 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](CC=C)Cc2ccccc2)C1 1560883243 NLZPMLZMNJYHIF-QRQLOZEOSA-N 269.432 4.508 30 10 CJEE C=CCn1c(SCC/C=C\CC)nc2ccccc21 1613175867 DTHGZHJQPAAWIS-WAYWQWQTSA-N 272.417 4.671 30 10 CJEE C=CCC[C@H](NCCC1CCCC1)c1ccccc1 1616739372 XZWHCEIAMIHKEN-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(Cl)c1 1617458351 IAMHXCJCOYSRGT-XJKSGUPXSA-N 291.822 4.513 30 10 CJEE C=C(CC(C)C)C(=O)N(CC(C)C)c1ccc(C)cc1C 1632106688 MQQUJMBOPZCAQX-UHFFFAOYSA-N 287.447 4.895 30 10 CJEE C#CCN(CC1CCC2(CC1)CC2)[C@H]1CCc2ccccc21 1641587726 FFAXVVKFVWMYSG-FQEVSTJZSA-N 293.454 4.580 30 10 CJEE C=CC[C@H](CC)Nc1nc2c(F)cc(Cl)cc2s1 1642680980 UXPVBVWEONFDMZ-VIFPVBQESA-N 284.787 4.855 30 10 CJEE C#CCC1(NCc2cccc(OC(C)(C)C)c2)CCCCC1 1644640740 OGUVTWKDCVXKII-UHFFFAOYSA-N 299.458 4.680 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cnc(-c2ccccc2)o1 1647741270 LJCZWZOGZMXRLO-MAUKXSAKSA-N 296.414 4.566 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](CC)c1ccc(Br)cc1 1655815985 SXCUDZUEEFHMJT-CABCVRRESA-N 294.236 4.551 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CC)cc1 1665520461 TUYYICBPINKGPB-RDJZCZTQSA-N 286.419 4.505 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(C2CCC2)cc1 1671289059 YJZPDQBSOKRHGH-GOSISDBHSA-N 298.430 4.917 30 10 CJEE CCCCCCCCCCn1c(C)cc(OCC)cc1=O 1860784858 IHSVXRMTJRXIST-UHFFFAOYSA-N 293.451 4.696 30 10 CJEE CC1(C)CCC(C=O)(CC2CC3(C2)CC32CC2)CC1 1877100436 FVPGTTQPYGSAMG-UHFFFAOYSA-N 260.421 4.742 30 10 CJEE CC#CCCC[C@@H](NCC)[C@H]1CCCCC12CCC2 1879651439 SLSOYYXLHKGZBL-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC#CCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 1879666512 SZQPGCPLVCCGBL-UHFFFAOYSA-N 288.696 4.735 30 10 CJEE C=CCN(CCc1cc(Cl)cc(Cl)c1)C1CCCC1 1884815521 SFAPUKKVSWZVSH-UHFFFAOYSA-N 298.257 4.967 30 10 CJEE CC#CCCCC[C@@H](NC)c1cc2ccccc2s1 1885265932 VEAPHOVSPJEUAM-OAHLLOKOSA-N 271.429 4.746 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cccc(Cl)c1F 1887452825 NUGFPVBZXHXUHA-DOMZBBRYSA-N 281.802 4.569 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H](C)COCc1ccccc1 1892716669 CKQMHMMCLGNBMY-UHOSZYNNSA-N 290.447 4.583 30 10 CJEE CC=C(CC)C(=O)c1c(Cl)cc(F)cc1Cl 1899463895 JOGIFVXGKYBPQS-UHFFFAOYSA-N 261.123 4.672 30 10 CJEE CC[C@H]1NC(=NCC2CC(C)(C)CC(C)(C)C2)S[C@H]1C 1911926173 DZIBXAJNRWRAJQ-GXTWGEPZSA-N 296.524 4.698 30 10 CJEE C#CCCCCCN(C)[C@@H]1CCC2(CCCCC2)C1 1915909702 ZVQCQWZECZSUSH-QGZVFWFLSA-N 261.453 4.615 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1919390712 SVINPFUHEXKXKL-CUSZFKRNSA-N 282.468 4.739 30 10 CJEE C[C@](O)(CC#CC1CCCCC1)c1ccc(F)c(Cl)c1 1919584689 WCYSHGFJHKKYDP-KRWDZBQOSA-N 294.797 4.660 30 10 CJEE C=C(C)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1919667074 ONUWISVYXCAVFM-AWEZNQCLSA-N 264.777 4.678 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1ccc(C)c(Cl)c1 1920343730 FSRKIZXRHIWWGN-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CCCCCCCC[C@H](NC)[C@](O)(CC)CCCC 1921953048 PONUDKXMEWSGLV-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE SCC1(CN2C[C@H]3CCCCC[C@H]3C2)CCCCCC1 1923124149 YTZNPLQPOUVAIB-CALCHBBNSA-N 295.536 4.769 30 10 CJEE C=CCCC(C)(C)CNCc1c(F)ccc(Cl)c1F 1925503247 LUDLSDXVUMOVBK-UHFFFAOYSA-N 287.781 4.700 30 10 CJEE CCCCCCCCO[C@H]1CCC(C)(C)C[C@H]1CN 1927095914 QLLLBDHDZPAZIR-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE CC(C)[C@H](C)N(Cc1ccccc1)C[C@H](C#N)C1CCCC1 1931996655 MTOSNMDWKCHVBP-PXNSSMCTSA-N 298.474 4.863 30 10 CJEE 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4.752 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C(F)(F)C1CCCC1 2338748069 WLMRMLIEEBVSPV-OAHLLOKOSA-N 271.395 4.558 30 10 CJEE C#CCCCCCCN[C@@H](C)C1CCC(C)(C)CC1 2338797222 YGBFXXYIQOOLSK-INIZCTEOSA-N 263.469 4.765 30 10 CJEE CC(C)[C@@H](C)[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1 2340263440 PGWWOMKSTYCMPP-ZIAGYGMSSA-N 258.409 4.580 30 10 CJEE C=CCCCCCC(=O)c1c(F)cccc1OCC 2341811134 LYWNMTZYXVMTOE-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]1c1ccccc1)NCCC 2341932428 ZYKMKFAJBHWYRE-KURKYZTESA-N 257.421 4.515 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCC[C@@H]2C[C@H]12 2341972038 QFPPMEULVOBIQN-ILXRZTDVSA-N 273.445 4.955 30 10 CJEE C=C1CC(C[C@H](C[C@@H]2CC[C@H]2C2CC2)NCCC)C1 2342333205 MGZMKPFAUIWVAU-KSZLIROESA-N 261.453 4.537 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(C)cc(C)cc1C 2344339487 JOLQWTFZNXOTMF-QGZVFWFLSA-N 259.437 4.865 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C#CC1CCCC1)NCCC 2344382471 GEJYYJOKOJGNFQ-MSOLQXFVSA-N 261.453 4.541 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC12CCCCC2)NCC 2344384235 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CCCCCCCC(=O)Nc1ccc([C@H](C)NCC)cc1 59295577 LOUCNVCHQUKRJF-HNNXBMFYSA-N 290.451 4.656 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(NC(C)=O)ccc1F 59419307 STWMSUDRUYYMDS-ZDUSSCGKSA-N 294.414 4.945 30 10 CJEE N#Cc1cc2ccccc2nc1Sc1cccc(Cl)c1 71390710 JUBHWYKLRGMRJY-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCSc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1 77084244 QDUJPNIYKBZXHX-UHFFFAOYSA-N 269.369 4.808 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80453820 XZSMQACKUZPEMJ-QWHCGFSZSA-N 292.448 4.659 30 10 CJEE CC(C)c1cc(C#N)c2cc(Cl)cc(Cl)c2n1 82467902 XHWXAKVRHWXFFD-UHFFFAOYSA-N 265.143 4.537 30 10 CJEE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1CS 82481423 HOGDZANOCCNXKI-UHFFFAOYSA-N 284.211 4.794 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)CC1 86899873 JQESKRFIYKPWDV-GXTWGEPZSA-N 276.811 4.982 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86949112 LKZLUWJALDWIJF-DOTOQJQBSA-N 256.393 4.597 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)CCNC 91466752 UVNYMNDXRGCGTF-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE 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COSQPFLTZSSFJH-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE CC#CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 252823983 CRBDTPRBHVBQMT-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE COc1c(C(C)C)cc([C@H](C)CC=O)cc1C(C)C 258595759 ZQWUGVJXDHHQJV-CYBMUJFWSA-N 262.393 4.635 30 10 CJEE C[C@@H](CC#N)c1cc2cc(C(F)(F)F)ccc2s1 260152924 VPUJKSCUEPIHHQ-QMMMGPOBSA-N 269.291 4.937 30 10 CJEE CSc1c(F)cc(C2(C#N)CCCCC2)c(F)c1F 260230712 JEWBAFMMIXKKAP-UHFFFAOYSA-N 285.334 4.551 30 10 CJEE N#CC[C@@H]1CCc2ccc(F)cc2C12CCCCC2 260452780 DXPKSHNNJTXXPN-AWEZNQCLSA-N 257.352 4.504 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(F)cc2Cl)c1 308122074 MQMWMXKJTPZIKY-NSHDSACASA-N 288.753 4.832 30 10 CJEE CSc1cccc(NCC(C)(C)C2=CCCC2)c1C#N 312283061 ZNDMSQJLLFJFPM-UHFFFAOYSA-N 286.444 4.829 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1ccc(Cl)cc1Cl 316700264 BBKFLFSIXXAQFX-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE CCCC[C@H](CC)COc1ccc(F)cc1C(C)=NO 379547413 ZTRGGHQRTPFDDS-ZDUSSCGKSA-N 281.371 4.619 30 10 CJEE CCCCCCCOc1nc(C)c(CNCC)cc1Cl 381439172 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C=CCC(CC=C)[C@H](N)c1ccccc1C1CCC1 2338738890 QDSQGIXDKZCPDF-SFHVURJKSA-N 255.405 4.722 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCCC12CCC2 2338741323 MSTCPPAOPYDJSH-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(SC)s1 2339548520 ZUJOKPKABMDNRY-CHWSQXEVSA-N 293.501 4.560 30 10 CJEE C=CCCC[C@H](C)NCc1cc(F)ccc1C1CC1 2341677598 BWZNQZJJCWPIHA-ZDUSSCGKSA-N 261.384 4.538 30 10 CJEE C=C(C)C[C@@H](CCC12CC3CC(CC(C3)C1)C2)NC 2341917587 KQPWWLXARHFBRA-AWDGRILASA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cccc(C(C)C)c2)C1 2343758591 FXTWTRMDASLECY-CRAIPNDOSA-N 258.405 4.748 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1ccccc1C)NCC 2344381479 VFIAVKUDNQTSMM-MSOLQXFVSA-N 259.437 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C(F)(F)F)cc1 2344468854 QWCSAWNDMXLHRY-UONOGXRCSA-N 272.310 4.731 30 10 CJEE C#CCCCCCCC(=O)Nc1cccc(Cl)c1Cl 2352967553 PSTSCILTULRARM-UHFFFAOYSA-N 298.213 4.906 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CC[C@H]2NCC 2360374251 HUCQRGLJKTYBKW-GOSISDBHSA-N 287.472 4.896 30 10 CJEE CCN1/C(=C/C(=O)c2ccc(C)cc2)Sc2ccccc21 5808614 HRJZWYMHOGUWEJ-PDGQHHTCSA-N 295.407 4.651 30 10 CJEE Cc1ccc(-c2nc3ccc(C)cn3c2[C@H](C)C#N)c(C)c1 31915799 QYOMJWHDFVFNDQ-OAHLLOKOSA-N 289.382 4.554 30 10 CJEE N#Cc1cc(N[C@H]2CCCc3ccccc32)ccc1Cl 36973132 GVZBDJLKZARLTL-KRWDZBQOSA-N 282.774 4.701 30 10 CJEE CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1 36973369 RQNFNQIDXBRJBO-MRXNPFEDSA-N 270.763 4.775 30 10 CJEE CCC1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 36973580 PYRXJPAWAHUCLW-UHFFFAOYSA-N 296.336 4.958 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1c(F)cccc1F 37334008 KKZQEEDPJMXSBY-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE C[C@H](N[C@@H](CC#N)c1ccccc1)c1ccccc1Cl 55018164 MKIYMGIEAZYQQL-GUYCJALGSA-N 284.790 4.646 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N 59083553 CUFASKMMOIVJOV-ULQDDVLXSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCC[C@@H]1CO 91357264 QLINAWYGGRATPU-QZTJIDSGSA-N 283.500 4.515 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCS[C@H]1C 94477851 HTZIACLSIUQYGY-STQMWFEESA-N 279.474 4.661 30 10 CJEE Cc1ccc(C(C)(C)C)c(OC[C@@H](CS)C(C)C)c1 94582336 MWDHEKUBPSDTPQ-AWEZNQCLSA-N 280.477 4.873 30 10 CJEE CC(C)(C)c1ccc(OCC2(CS)CCCC2)cc1 94582809 NQAHJVGYULZFRF-UHFFFAOYSA-N 278.461 4.853 30 10 CJEE Cc1cc(C)c(C)c(OC[C@H](CS)c2ccccc2)c1 94584211 XHQWWUIQVLXUMM-QGZVFWFLSA-N 286.440 4.704 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C)nc2ccccc12 97283902 XRQQUPKIBZIWAC-IBGZPJMESA-N 282.431 4.940 30 10 CJEE C[C@H]1CCCN(CCCCCCCCCS)[C@@H]1C 97799083 UPPOSYJTTXLNNW-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(OCC(C)C)cc1C 107615689 LZUJHCOJWXOOSA-GDBMZVCRSA-N 258.405 4.793 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 109905231 WOLJNVZQZABOKI-GJZGRUSLSA-N 292.423 4.994 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCCc2ccccc21 109945392 QONCYAPYKBLOGL-GOSISDBHSA-N 276.383 4.746 30 10 CJEE N#Cc1cc2c(nc1Cl)CCCCCCCCCC2 109991733 YUIHDXRMAKGJAR-UHFFFAOYSA-N 276.811 4.826 30 10 CJEE C=C(C)CN(CC)c1ccc([C@H](C)NCCC)cc1Cl 110358121 YQZPXNDELLHKKJ-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@H](C)O 110369866 RUQAYZOQSZPUFG-ZDUSSCGKSA-N 268.372 4.618 30 10 CJEE CCCCCCCCSc1nc(N)c2ccsc2n1 110450122 XEXHVQRQZTXGSO-UHFFFAOYSA-N 295.477 4.726 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(Br)cc1 110462802 HWZCYHJKZUNZTQ-OAHLLOKOSA-N 298.268 4.679 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)OC[C@H](C)CO2 112376607 WEUGLRFAVFQPJR-CQSZACIVSA-N 290.403 4.637 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@]1(C)CC 114067652 YXPINWLOLFNUPK-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](COCC)NCCC 115249438 CSSULSDKSIFHNI-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](C)c1ccccn1 117687272 VXDMAPFEVLOLIH-IRXDYDNUSA-N 276.468 4.914 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](C)(CC)N(CC)CC 118156121 LBHRTYJFYGTDBC-QZTJIDSGSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(OCC)cc1 122204318 FLJFUFGWGUANMX-SFHVURJKSA-N 292.467 4.730 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(C#N)cc1 124829112 SQFUHCNNSTWMPX-SFHVURJKSA-N 273.420 4.906 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1cc(C#N)ccc1Cl 125711553 NKCQJTDRUSVWAY-WCQYABFASA-N 264.800 4.838 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N 130548392 LMGQCEPZRJUCHR-VNHYZAJKSA-N 288.460 4.907 30 10 CJEE CCCCCCCNc1ccc(Br)cc1C#N 132122806 ZETXTOBYXNJNQP-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE CCCCCCCCCCC(=O)c1snnc1C 135629639 KRRRFEKYNLHGFQ-UHFFFAOYSA-N 268.426 4.560 30 10 CJEE CCCc1c(-c2ccc(Cl)c(C)c2)sc(C#N)c1N 138432564 DRLAJZFIZAFSLT-UHFFFAOYSA-N 290.819 4.783 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cc(C)nn1C 140402287 RRXZXYMBRSZSEQ-INIZCTEOSA-N 279.472 4.520 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 149827560 CSNRPKOJIVVDRO-ZDUSSCGKSA-N 296.336 4.958 30 10 CJEE CCCCCCCCNc1ncnc(NCCC)c1CC 159052451 SOIAWCVGAHFULI-UHFFFAOYSA-N 292.471 4.633 30 10 CJEE CCSc1cccc(N2CC[C@H](C(C)(C)C)C2)c1C#N 159715853 JDSBFCGTFBSECI-ZDUSSCGKSA-N 288.460 4.543 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccco1)c1ccc(Cl)s1 162623932 AVTMEKAONFIJCP-YGRLFVJLSA-N 281.808 4.638 30 10 CJEE C=C(C)CCOc1ccc(Cl)cc1[C@@H](C)NCCC 164377918 SVQIVXFLWFOAIP-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCCC[C@H](O)C1C2CC3CC(C2)CC1C3 168207370 MAGYESXGFBLNDP-NFSPANSCSA-N 264.453 4.780 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 169067466 VMTJPQYVABESRL-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1nccc(-c2ccccc2)c1C#N 218489173 PTAYJWMRQRXXIU-KDOFPFPSSA-N 291.398 4.611 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CCCCCC 218551753 ZABBLCWQAAYJIU-SJORKVTESA-N 271.489 4.786 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC23CCCCC3)cc1Cl 230163663 WWWQWBRQFCLOPR-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE O=C1C=C(Cc2cccc(Cl)c2Cl)CCCC1 230164873 PWULSZUBSNHPGW-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)c2ccc(Cl)o2)cc1 232743294 QZYSDSNLYDNOLD-ZDUSSCGKSA-N 287.746 4.546 30 10 CJEE CC[C@@H](C)CSc1ccc(C#N)c(C(F)(F)F)c1 233857317 KSEBFJMSOZTUHE-SECBINFHSA-N 273.323 4.715 30 10 CJEE C=CCCCCCSc1ccc([C@@H](C)NC)cc1 234429793 YXUUZZZCVIZZJX-CQSZACIVSA-N 263.450 4.806 30 10 CJEE O=C(C1=CCCCC1)c1cc(Cl)sc1Cl 236069502 RCYBTVTUFZZVMJ-UHFFFAOYSA-N 261.173 4.738 30 10 CJEE C=CCCCCC[C@H](N)Cc1ccc(C(F)(F)F)cc1 236301535 SMIUPAUMGHUQGM-HNNXBMFYSA-N 285.353 4.712 30 10 CJEE O=C(CSc1ccccc1)C1=CCCCCCC1 236401835 RAFNHDMIVZAKOS-UHFFFAOYSA-N 260.402 4.628 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1O2 250831004 RDNQJJVPRMAKKH-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC1CC1 252834696 RWFVNBFQPYKHQF-IXDOHACOSA-N 275.480 4.621 30 10 CJEE O=C(/C=C\c1ccc2ccccc2n1)c1c[nH]c2ccccc12 255586037 QDMVOFJEWLIUSG-QXMHVHEDSA-N 298.345 4.612 30 10 CJEE C[C@](C#N)(Cc1cccs1)c1ccc2ccccc2c1 259397848 BYYFVZJVGVHSTI-GOSISDBHSA-N 277.392 4.925 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3cc(Cl)ccc3s2)c1 308148364 FCPIIFFIXPACSY-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CCCCCCCOC[C@@H]1C[C@H](C)Nc2ccccc21 312524469 OYWYAPMHRKGURD-HOTGVXAUSA-N 275.436 4.961 30 10 CJEE C=CCc1cc(N)ccc1OCC1CCC(C)(C)CC1 312584502 QCRCMAKDAYHHBW-UHFFFAOYSA-N 273.420 4.593 30 10 CJEE CO[C@H]1CCCC[C@H]1C1(C=O)CCC(C(C)(C)C)CC1 317430982 HSAZPLAEUCKDGW-NDUQDZPOSA-N 280.452 4.613 30 10 CJEE Cc1cc(CC2(C=O)CCCCCCC2)cs1 317711617 LXIVPDNYJORRTG-UHFFFAOYSA-N 250.407 4.529 30 10 CJEE O=C1C=C(c2ccc(Cl)cc2Cl)CCCC1 380890938 NQTJNNOXCHATAT-UHFFFAOYSA-N 255.144 4.520 30 10 CJEE Cc1ccsc1C#Cc1cc(Cl)cc(Cl)c1 383542745 LVZNBDFUXWMLSI-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE Cc1ccc(C#Cc2c(Cl)cccc2Cl)s1 383543662 MGKQREVKOJBVLZ-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1sccc1Br 384828956 GNOOJLNFDMHWMU-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccc(C(C)(C)C)cc1 384895850 VFNHOVKOWIUHRN-RDTXWAMCSA-N 255.405 4.857 30 10 CJEE C=C([C@H](NCCC)c1scc(C)c1Cl)C(F)(F)F 385549162 WLVVDWKHBPFBGA-JTQLQIEISA-N 297.773 4.869 30 10 CJEE CCCCCCCCOc1ccc(C(F)F)cc1N 387974320 ZYGINUXWPFIRES-UHFFFAOYSA-N 271.351 4.946 30 10 CJEE CCCCCCCCOc1cccc(CNC)c1Cl 393258227 AWOBLBTYUNCQIT-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CC#N)C1 397875606 YUBBTTBVUMKOTL-KRWDZBQOSA-N 264.457 4.753 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1CCOC1)NCC 400938150 BSBPKASHCGQHRY-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](CCCSC)NC 401489880 FXTCNHVFTMALPL-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE N#Cc1ccc(CSCc2ccccc2Cl)cc1F 404755060 OGJFJJKMGBLFFW-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE C=CCC[C@@H](N)c1cc(C(F)(F)F)ccc1C(F)(F)F 575245559 QADAORUKYOSORB-LLVKDONJSA-N 297.242 4.690 30 10 CJEE C=CCC[C@@H](NCC(C)(C)CC(F)(F)F)c1ccco1 663479098 ZZCZCIFBUQVMES-GFCCVEGCSA-N 289.341 4.855 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1C[C@@H](C)O[C@H]1C 686460058 NSNZLUNXJNTALG-TWMKSMIVSA-N 269.473 4.658 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@H](C)O[C@H]1C 686488521 ASKVFCOUDXDKIJ-SOUVJXGZSA-N 254.414 4.510 30 10 CJEE C#CCCCCCNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 686682135 IPZDCRLAQYSSEJ-FXSDRFNOSA-N 273.464 4.519 30 10 CJEE C#CCCCCC[C@@H](N)c1cccc(C(C)(C)C)c1 686689535 KUBDGKDAFLKGFL-QGZVFWFLSA-N 257.421 4.568 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC2(CC2)C1 686703984 OJBWYCFFMNRKMH-ROUUACIJSA-N 275.480 4.909 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(COCc2ccccc2)C1 687969004 QNWTZBBLORNOQH-UHFFFAOYSA-N 288.431 4.625 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CC[C@@H]2CCOC2)C1 688341563 IHWWAZUCCSABLU-CQSZACIVSA-N 263.425 4.549 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccc(F)cc1C#N 691171713 WLEOMENBTYFLSP-RDJZCZTQSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1Cc2ccc(Cl)cc2C1 692236276 XSYNHFOYZMJQOQ-XWIAVFTESA-N 289.850 4.532 30 10 CJEE C=C(C)CCC(=O)c1ccc(C)c(C(F)(F)F)c1 693661863 ODYQERLPOUNTCE-UHFFFAOYSA-N 256.267 4.553 30 10 CJEE Cc1ccc(N[C@@H](C)CC2CCCCC2)c(C#N)c1 694650326 YWISMVIDBJFCSH-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@](C)(N)C1CC1 695770481 BOXBEZCACBYYRB-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCC/C=C(/C)[C@@H]1CNCCO1 699611725 JXIFWAPNNXXKRY-FDWYHIAWSA-N 281.484 4.842 30 10 CJEE CCCCCCCN[C@H](C)CCc1cccc(C)c1 703777004 JEVXORUIMGWRHS-QGZVFWFLSA-N 261.453 4.876 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1cccs1 704857853 GZNKGWXVVWFFDE-OAHLLOKOSA-N 253.455 4.759 30 10 CJEE CCCCCCCCC[C@]1(N)CSCCC1(C)C 704937431 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4.654 30 10 CJEE C=C(C)CCCC[C@@H](N)c1c(F)ccc(Cl)c1F 2259198233 HDOXTPLIVQRVAL-GFCCVEGCSA-N 273.754 4.755 30 10 CJEE C=C(C)CCCC[C@]1(CNC)CCCC(F)(F)C1 2259231266 HEJKFJVIIKFUIG-AWEZNQCLSA-N 259.384 4.538 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(Cl)cc1OC 2259241964 RGUUVWOGMGBYLZ-AWEZNQCLSA-N 268.784 4.519 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CCCC1(F)F 2259241977 RJPSEYRIBYOQCG-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)s1 2261051057 RYIIZKHIPOCSFB-ZDUSSCGKSA-N 281.852 4.636 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SCC23CCC(CC2)C3)C1 2261287247 GFEVUAJRKNFAJJ-MSIBERQWSA-N 263.450 4.628 30 10 CJEE C=C1CC(CC[C@@H]2CCCC23CC3)(CNCCC)C1 2266597526 TUSKFUZNZVOGJS-INIZCTEOSA-N 261.453 4.683 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(OC)c1Cl 2268368731 GLPRIUVNQUWCKD-TZMCWYRMSA-N 281.827 4.602 30 10 CJEE C=CCCCCCCCSc1ccc([C@@H](C)N)cn1 2271487663 AYUJCHOWYXSITA-CQSZACIVSA-N 278.465 4.720 30 10 CJEE C=CCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 2271591689 SLTDFVUUPDMSCE-BRWVUGGUSA-N 271.429 4.772 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Cl)cn1 2271835564 VXFSYROIYNEQIJ-OAHLLOKOSA-N 280.843 4.912 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(C(F)(F)F)o1 2271837061 OAVKEBMSSVEXSB-LLVKDONJSA-N 275.314 4.695 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2CC3(CC(C)C3)C2)C1 2272165697 HNRIIHPMVLGKKX-PASYZDRLSA-N 262.437 4.988 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C=O)C[C@@H](C)O[C@@H]1C 2272252778 NDTPSFDHLQDAAK-YLFCFFPRSA-N 268.441 4.612 30 10 CJEE C=CCCC[C@H](NCCC)c1cnc(C(C)(F)F)s1 2273562466 QRUDQWXQOHSTQM-NSHDSACASA-N 288.407 4.652 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1csc(C)c1C 2274121114 LCQDIZSLISZDMO-KRWDZBQOSA-N 275.461 4.599 30 10 CJEE C=C1CC(C[C@@H](NCC)C2CC(CC(C)(C)C)C2)C1 2274235986 XVOVBQSTIXNPJO-OFLPRAFFSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CCC 2275394687 CWYOUDVQMKPZSM-LSDHHAIUSA-N 272.429 4.643 30 10 CJEE C=CCCCCCCCC[C@](C)(CCC)OCCN 2276148837 WDWSLVYSDRKYHX-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1ccc(C)s1 2276159783 WOWPQJDBCQBUMR-HNNXBMFYSA-N 281.465 4.600 30 10 CJEE C=CCCCCC[C@@H](OCCCN)[C@H](C)CC(C)C 2276211705 GCNHWNAWPULFDJ-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CC1(C)CN(CCCCCCCS)c2ccccc21 2277502738 XKAQBIUHIJNHJG-UHFFFAOYSA-N 277.477 4.665 30 10 CJEE CC(C)C[C@@H](C(=O)C#Cc1ccccc1Cl)C(C)C 2277777534 AMILDOQSQDPYDT-OAHLLOKOSA-N 276.807 4.579 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@]1(C)COC 2278243017 DCHIIQIDHGYOND-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCC#CC[C@H](NC)c1cc2cccnc2s1 2280199184 WTPDQUXEYUWGBM-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE N#Cc1cc(F)c(NCC[C@@H]2CCCC23CC3)cc1Cl 2281387117 RZOHNEVYVUKJGX-LBPRGKRZSA-N 292.785 4.733 30 10 CJEE CO[C@H](CSc1cc(C)ccc1C#N)C1CCCCC1 2284008990 UXKXQNSHHSESAS-MRXNPFEDSA-N 289.444 4.554 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@@H]1C[C@@H]1CC 2284071238 QDEPPHINPADIRM-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC1(N)C[C@@H]2CCCCC[C@H]2C1 2284092671 ONFBITSVTWIPKJ-IRXDYDNUSA-N 273.464 4.670 30 10 CJEE C=C(C)CCCC[C@H](N)C1(O)CCCCCCCCC1 2287384568 KJFSESDMZPAAMM-KRWDZBQOSA-N 281.484 4.706 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@]1(OCC)CCC[C@@H](C)C1 2287467206 MIKRUUOKAFYVMF-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)C1CCC(C(C)C)CC1 2287473505 SMNPCTATFFPUMJ-HTWSVDAQSA-N 280.452 4.515 30 10 CJEE C=CCCCSCC[C@@H]1CCCC[C@]1(C#N)NCCC 2288874867 NRZFMEIFGKZWJV-DLBZAZTESA-N 294.508 4.528 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@]12CCCC[C@H]1CC2 2289010208 GMRYJUMKMKTNMJ-BLLLJJGKSA-N 292.785 4.733 30 10 CJEE CN(CC1(CS)CCCCCC1)C[C@@]12CCC[C@@H]1CC2 2289050851 VNIIKKBVJBKUEP-AEFFLSMTSA-N 295.536 4.769 30 10 CJEE N#CC1(C[C@]23CCCC[C@H]2CC3)Cc2ccccc2C1 2289138159 ZNIBMYUZXWJLII-PKOBYXMFSA-N 265.400 4.656 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1(C2CC2)CCCC1 2289904115 IAONNPVFBRZCQR-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCCCCCCN(C)[C@H]1CCNc2ccc(F)cc21 2290179973 ZAMHHLGCMTUMPP-KRWDZBQOSA-N 278.415 4.585 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)c1ccsc1 2290602190 BHCHYCQTSVCKCC-MRXNPFEDSA-N 298.448 4.815 30 10 CJEE C=CCC[C@@H](C)[C@@](CCC)(OCCC(=O)O)C(C)(C)C 2291672432 SKAWDQZFCXCFHY-RHSMWYFYSA-N 284.440 4.665 30 10 CJEE C=CCCC[C@]1(OCCC(=O)O)CCC[C@H](CC)CC1 2291771668 PKTBAHIQLKYWBC-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(F)c(C)c1 2292770861 RABBSRWROODKSM-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)c1ccc(Cl)cc1 2293349416 SBVIFYJFQGGJJH-KRWDZBQOSA-N 295.854 4.523 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1C=CCCC1 2293408420 REHPJYXLFBTHBW-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC=C1CC 2293466658 NGLJVTHIVYMSBN-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(C)cc1C 2293673506 QRPDLTTWWCBDOU-GOSISDBHSA-N 277.452 4.680 30 10 CJEE CC#CCCCC[C@H](OCCCN)C(CC)(CC)CC 2293940507 XZEOCBFQGAFNKX-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)C1(F)CC1 2294020862 KDGWSJIRCGQMCP-INIZCTEOSA-N 285.447 4.529 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H](C)CC1)OCCN 2294069694 UEFBMBQLBPCLTB-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCN)c1csc2ccccc12 2294243365 RAHVJQDSQLONIJ-SUMWQHHRSA-N 289.444 4.520 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1scnc1C 2294568029 LMJGNOIQEWIMIU-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C#Cc1ccc2c(ccn2CC2C[C@@H](C)C[C@H](C)C2)c1 2295163268 BVDTVLUWHMQFAW-GJZGRUSLSA-N 265.400 4.695 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@H]1CCC[C@H]1CN 2295537485 ZSSLQWBLAATWRZ-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@H]1CC[C@H]1C 2295596659 MODNTGSTDYTCFL-RYRKJORJSA-N 282.468 4.883 30 10 CJEE C=C(C[S@](=N)(=O)C[C@H](CC)CCCC)c1ccccc1 2295707591 GHEPNMOALLVVGN-UZLBHIALSA-N 293.476 4.963 30 10 CJEE CC(=CC(=O)c1ccc(C)cc1)Nc1cc(C)ccc1C 2297352226 AVIXSUFPETVFKE-UHFFFAOYSA-N 279.383 4.810 30 10 CJEE C=CC[C@](C)(CC)C(=O)CCCCC(F)(F)F 2304086037 LQCBGUWPMJVOJJ-LBPRGKRZSA-N 250.304 4.671 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C)c(Cl)c(C)c1 2304124317 CNKJKEQNQXTDGN-AWEZNQCLSA-N 252.785 4.593 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1c(Cl)cc(C)cc1Cl 2307628198 ZZDJXRXZOCPBLU-YGRLFVJLSA-N 273.203 4.938 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)C)cc1Cl 2313704228 JGRZRGMJYNANLO-LBPRGKRZSA-N 283.868 4.895 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc2sccc2c1 2321222032 FWVFVMQRWJQGHY-CVEARBPZSA-N 260.402 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](O)C1CCC(C(C)(C)C)CC1 2321233434 OHYTYSQHSAMWDB-NRXISQOPSA-N 252.442 4.802 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)ccnc1Cl 2321619685 OHZCMBMRMVDVIF-LBPRGKRZSA-N 273.779 4.658 30 10 CJEE CCCC[C@@H](CC)N(C)CC1(CS)CC(C)(C)C1 2321751475 DXQSTHLPYBFVGA-CQSZACIVSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCC[C@@H](CC1(C)OCCO1)NCC 2328092239 SWCQLZSFNZXWNP-KRWDZBQOSA-N 299.499 4.648 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2329118265 CMELXTZKLYUPHU-XPCVCDNBSA-N 277.408 4.513 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330334405 PGSLTZCWSJTKMZ-KFGODFMUSA-N 263.469 4.891 30 10 CJEE C=C(C)CON=C(C)c1ccc(-c2ccccc2)cc1 2330458454 ASSITGGOTVPKFH-UHFFFAOYSA-N 265.356 4.670 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@@H]2C(F)(F)F)CC1 2331317883 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C=CC[C@](C)(CC)[C@@H](CC[C@@H]1CC1(F)F)NCCC 2344338419 ZETXYYQLLXJJIG-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC(F)(F)C1)NCCC 2344378299 UXGTWFDOECHDHH-CABCVRRESA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc2cccnc2s1 2344384641 MJSSENXZZPUYLP-CQSZACIVSA-N 274.433 4.549 30 10 CJEE CSc1cccc(N[C@H]2CC[C@]3(C(C)C)C[C@H]23)c1C#N 2355796606 UFARJKDGOBPQAI-UKPHBRMFSA-N 286.444 4.517 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NN 2358665639 JPTIXRKVYAFGDO-ZJPYXAASSA-N 278.484 4.561 30 10 CJEE CCCCCCCCCCO[C@@H]1[C@H]2CCC[C@H]2C[C@H]1O 2358902819 HHVVVPYFIIGJSP-WNRNVDISSA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)O[C@H](c1ccc(Cl)cc1)[C@H](N)CC 2360214088 DJKKEBHAOBYFTI-IAGOWNOFSA-N 293.838 4.656 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccccc2F)cc1 37938877 IWPVDADBPHQBNG-KRWDZBQOSA-N 282.362 4.800 30 10 CJEE CN[C@](C)(C#N)CCCCSc1ccc(C(C)C)cc1 45363750 ZLINNLCFDHWVGT-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE Cc1ccc([C@@H](C#N)CCCCOc2ccccc2)cc1 57684750 DTVMOWKPALAAIA-GOSISDBHSA-N 279.383 4.852 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CN(C)C)c1ccccc1 59090191 QWUDZAPQGSZRGJ-PKOBYXMFSA-N 290.495 4.628 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1cccc(Cl)c1 59100112 WBIMHGCILGEWPN-HNNXBMFYSA-N 277.795 4.877 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2cccs2)cc1Cl 83194221 HYADNRQRFKQQGP-AATRIKPKSA-N 276.788 4.914 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(Nc2ccccc2F)CC1 86949230 TXZHJTHWXZWVRK-YOEHRIQHSA-N 274.383 4.880 30 10 CJEE COc1ccc(CC2(C#N)CCC(C(C)C)CC2)cc1F 87959945 FCRDYVJZPNLOSJ-UHFFFAOYSA-N 289.394 4.733 30 10 CJEE CC(C)CN(C[C@H](CS)c1ccccc1)C1CCCC1 94853844 KOJCBRKLPWLGSK-QGZVFWFLSA-N 291.504 4.601 30 10 CJEE CCCCCCc1nc2cc(C#N)ccc2n1CC(C)C 97471690 JZDDDDCDKYHMRV-UHFFFAOYSA-N 283.419 4.687 30 10 CJEE CN(CCCCCCCCCS)c1ccc(F)cc1 97799355 GVKFVGGCLWHXKA-UHFFFAOYSA-N 283.456 4.922 30 10 CJEE C(#Cc1ccccc1)/C(=N/c1ccccc1)c1ccccc1 103945527 VHNQBHKMUZAEOR-DQRAZIAOSA-N 281.358 4.859 30 10 CJEE CN(Cc1ccccc1Cl)c1ccc(Cl)cc1C#N 104013330 IWYWHMBUEQNYQW-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCCN[C@@H](C)c1nc2ccccc2[nH]1 105839571 NMIFWKRXQSSDLQ-AWEZNQCLSA-N 273.424 4.574 30 10 CJEE C=C[C@]1(C)CC[C@@]2(C)c3cc(O)c(O)c(C)c3CC[C@H]2C1 106886855 MKKOUGDVRDZEMO-MJXNMMHHSA-N 286.415 4.603 30 10 CJEE biogenic Cc1ccc(C#N)c(Nc2ccc(C)c(C(F)(F)F)c2)c1 110257076 NFUGREZLXNWORK-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCCCCCCCCCCCN1C[C@H](CC)NC[C@@H]1C 114061366 UTBFJIKNBHXLMA-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC(=O)NC1(C#N)CCCCCC1 115857459 OEDJZFNQOTXERT-UHFFFAOYSA-N 292.467 4.860 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1ccc(F)cc1 118852190 YLKQIUGXEWCZFW-HNNXBMFYSA-N 266.356 4.745 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C(C)(C)OC 127585971 ZDYVTBOWHCMALZ-MRXNPFEDSA-N 286.504 4.554 30 10 CJEE C=CC[C@H](NCCC)C1CCC(CCCC)CC1 128798289 UQYNVUCYYKCBDM-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCNC[C@](C)(O)c1ccccc1 129327708 LSZJDULJNLNRJN-IBGZPJMESA-N 291.479 4.624 30 10 CJEE CCCCCCCCCCNC(=O)Nc1cccc(N)c1 129389115 VHUBQJQWBVAWKU-UHFFFAOYSA-N 291.439 4.531 30 10 CJEE CCCCCCCCCCCC[C@H](N)CCN(C)C 134777589 QOEOXQWTSSGVNO-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)nnc1CC 135352103 KRAPIZLMIOHKMS-KRWDZBQOSA-N 278.440 4.522 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CCSC1 135560110 XZFNSXQOLHSCSC-LSDHHAIUSA-N 258.471 4.631 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H](OC)C1CC1 158236438 JWAGSHLMHUNRMI-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCCCO1)NC 159119345 DTRLOFKLCUMJPN-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCn1c(CC)cnc1S 159156396 LTOSKVRKJYOLSV-UHFFFAOYSA-N 268.470 4.875 30 10 CJEE CCCCCCCC[C@H](O)Cc1cc(F)ccc1F 167294511 WOVJPPQUCDAAKI-HNNXBMFYSA-N 270.363 4.619 30 10 CJEE C=CCC[C@H](NCCC)c1cc(Cl)ccc1C 167769129 ZHQJLHCQOQFGST-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE Cc1oc(Nc2nc3cc(C(C)C)ccc3o2)c(C#N)c1C 170544447 JDMBIMOVIZBLAA-UHFFFAOYSA-N 295.342 4.776 30 10 CJEE C[C@@H](SCc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 190948878 GUSIMQXUSHJXQS-GFCCVEGCSA-N 296.370 4.563 30 10 CJEE CCCCCCCCCCC[C@H]1CNCCS1 206857050 SCPABRAAUUPLDH-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(Cl)c1C 220607484 POWXVWBQPRFQHT-MRXNPFEDSA-N 282.859 4.903 30 10 CJEE CCCCCC(C)(C)CNc1c(C)cccc1C#N 221086011 QBMHBQHKADWNCM-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE CCCCCCCOc1cc(Br)cc(C#N)c1 227634504 RBNYWUBUFYTCNO-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE CC(C)CCN(CCC(C)C)CC1(CS)CCCC1 232548960 BYZMIQLTZPFKRE-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CCCCCCC[C@H](N)c1c(C)cc(C)cc1OC 232960248 AKIKFDAPMVSAPB-HNNXBMFYSA-N 263.425 4.672 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2Cl)C1 235343469 RWHOAWRAQXLCCU-XUJVJEKNSA-N 279.836 4.902 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(Cl)c1F 236303270 DPINDHQGBPXOAG-ZDUSSCGKSA-N 255.764 4.615 30 10 CJEE C=CCCCCC[C@H](O)Cc1cccc(C(F)(F)F)c1 236535484 LVTZBSXJZMZNEO-HNNXBMFYSA-N 286.337 4.745 30 10 CJEE CCCCCC[C@@H](C)c1nc(Cl)c(C#N)c(Cl)n1 248273443 RBRVGAIHQCIRPL-SECBINFHSA-N 286.206 4.729 30 10 CJEE CCCCCCCCCCN1C[C@@H]2CCCN2C[C@H]1CC 250803778 DTJPXWOJNITFJT-MOPGFXCFSA-N 294.527 4.686 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 251498531 DOKRJCVDUSFNRF-NNPSNHGLSA-N 290.495 4.994 30 10 CJEE COc1cc(C2(C#N)CCCCC2)cc(F)c1C(C)C 260364594 GEEDOFDUGIFDKD-UHFFFAOYSA-N 275.367 4.683 30 10 CJEE Cc1cc(C2(C#N)CCCCC2)cc(F)c1C(F)F 260438704 YWCPNZFKQSNZIT-UHFFFAOYSA-N 267.294 4.797 30 10 CJEE CC(C)C[C@@H](C)C[C@@]1(C#N)CCc2ccccc2C1 311297115 YFNRBGMUVVHKRV-QAPCUYQASA-N 255.405 4.758 30 10 CJEE N#CC1(c2nccc3ccsc23)CCCCCCC1 311537239 GKPZMBOVDAMFMV-UHFFFAOYSA-N 270.401 4.802 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC(C)(C)c2ccccc21 312352458 TYCMHSTWSAPXCH-KRWDZBQOSA-N 271.448 4.991 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1ccccc1OC 312453724 OXHRZBFMRPKPRE-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE CCCCCCCCNC1=N[C@@H](CC)[C@H](CC)S1 313180097 IDSKQZATELDMAS-KBPBESRZSA-N 270.486 4.597 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCSc2ccccc2)C1 316870048 PXBVBVCXOQYZFY-NVXWUHKLSA-N 276.445 4.954 30 10 CJEE C=C(C)CCC1(CNCC)CCC(C(C)C)CC1 317191783 XVMPHJLVMJIXBQ-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(Cl)s2)CC1 317416524 FBHANCVMXCRLND-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE O=CC1(C[C@@H]2CCCC2(F)F)CCCCCCC1 317781226 XLIRSJPGKKLBDN-ZDUSSCGKSA-N 258.352 4.742 30 10 CJEE C=CCC(C)(C)CNc1cc(C(F)(F)F)cc(Cl)n1 381684655 BUMAVKIXTCNXBC-UHFFFAOYSA-N 292.732 4.768 30 10 CJEE C=C(COC(C)C)[C@@H](CC1CCCCCC1)NCCC 387685909 UBZRKQUIRKEXPB-GOSISDBHSA-N 281.484 4.696 30 10 CJEE CCCC(CS)(CCC)CN1CCCC12CCCC2 388700676 VRWQWOKKELSSKE-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE CC[C@@H]1CCCC[C@H]1C1(C#N)Cc2ccccc2C1 388794158 NJBRZBIRBRNRSL-RHSMWYFYSA-N 253.389 4.512 30 10 CJEE C=CC[C@H](CC)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 393813837 TYLDJFRDYPNPEV-DSLXNQLJSA-N 271.448 4.903 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 398073025 ANCCSGMDILOZGV-CHWSQXEVSA-N 251.801 4.735 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(SC)ccc1Cl 617361020 LBZNVCDWGBMLRL-JTQLQIEISA-N 283.824 4.603 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2cccc(C)c2)o1 680881573 FEYIUDNSBACPHS-ZDUSSCGKSA-N 288.416 4.882 30 10 CJEE CCCCCCCCC[C@@H](NC)C1CCC(OC)CC1 686353494 LZJCHDPDCDZFBJ-DAWZGUTISA-N 283.500 4.920 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nccc2ccsc12 692226836 KPUZNEMJGDXMCZ-JSGCOSHPSA-N 272.417 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1sccc1Cl 692279159 GXKQRVRRDJWOHA-YPMHNXCESA-N 269.841 4.626 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@H]1CCCC2(CC2)C1 695758270 VUXOJYNXUXLUGR-LBPRGKRZSA-N 274.795 4.594 30 10 CJEE CC1(C)CCC[C@@H](NC[C@@H](C#N)C2CCCCC2)CC1 697632660 KOJGNSJYGBHDHW-IAGOWNOFSA-N 276.468 4.655 30 10 CJEE CCCCCCCCCNC[C@@H](C)C(F)(F)F 697719851 HIOARJVXZJBHNQ-GFCCVEGCSA-N 253.352 4.525 30 10 CJEE CCCCCCC[C@@H](CCCOC1CCCC1)NC 699936474 APVHAYRTFZCABM-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCN[C@@H]1C[C@@H](OCC)C12CCCCC2 703724625 WTWQQXRYXBXBHJ-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE COC1CC(CC2(C#N)CCC(C(C)(C)C)CC2)C1 704212109 ZHXIXKJVZISRFO-UHFFFAOYSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@@H]1C[C@H]2CC[C@H]1O2 707609407 UZLVYGAJSWMPCL-BRSBDYLESA-N 281.484 4.802 30 10 CJEE C[C@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)CC(C)(C)C1 708766919 ZYWRVJVCMLRQSW-JKSUJKDBSA-N 278.484 4.853 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1C[C@H]1OCC 709679370 OOYGKGVQVSPJPH-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CC[C@@H](CC(=O)[C@H](C#N)c1cccc(C)c1)C(C)(C)C 711151515 YJEGLOOYJJHLDF-JKSUJKDBSA-N 271.404 4.634 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C)c(Br)c1 715726850 VMPVHWXBKDWGHU-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE C/C=C(\CC)C(=O)CCc1cc(Cl)cc(Cl)c1 722130463 AGEMWKFDKLQHDP-QDEBKDIKSA-N 271.187 4.851 30 10 CJEE Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C#N)c1 723627258 XAUOWUYLJVLMEF-ZMSDIMECSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC1(C(=O)O)C[C@H](C)O[C@@H](C)C1 724284907 ALAHAZKIVSPYKV-GJZGRUSLSA-N 284.440 4.786 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(Cl)cc2C)CC1 724568678 VORFVGGBOZSGDX-INIZCTEOSA-N 263.812 4.785 30 10 CJEE C=C1CCC(CC(=O)c2cc(C)c(F)cc2F)CC1 724589226 CHHPWVXXVVTBHP-UHFFFAOYSA-N 264.315 4.592 30 10 CJEE CSCc1ccc([C@@H](C#N)Nc2ccc(C)cc2)cc1 724738683 OPDSXPGFAFRWEB-QGZVFWFLSA-N 282.412 4.535 30 10 CJEE C(=NNc1ccccn1)c1c2ccccc2cc2ccccc12 1082989120 SODTZZKQMRPFNQ-UHFFFAOYSA-N 297.361 4.834 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1nc2cc(C)ccc2s1 1176771723 SBZZMUCZCFZSCK-CQSZACIVSA-N 286.444 4.535 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(C)C)ccc1O 1182843744 HDSSMEDJNRIRRX-CRAIPNDOSA-N 287.447 4.740 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccccc1 1183551133 OPKMWHZVSSLRNO-GBESFXJTSA-N 269.432 4.862 30 10 CJEE C=CCC1(NCc2ccc3cc[nH]c3c2)CCCCC1 1196953457 WOEZBYOTQKNHHT-UHFFFAOYSA-N 268.404 4.537 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](CC)c2ccccc2)c1 1210299217 BYMHIIGVNSBUKP-GOSISDBHSA-N 294.398 4.993 30 10 CJEE C=CC[C@H]1N(C(=O)/C=C(\C)C(C)(C)C)CCCC1(C)C 1270803954 XTDSRTNKPJMAMO-SZGUKTLCSA-N 277.452 4.572 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1436715354 PTDRJTKAVDACCK-RYQLBKOJSA-N 299.458 4.677 30 10 CJEE C=CCCCC(=O)NCCc1ccc(C2CCCCC2)cc1 1437624031 VOPAVGLDOWBGJH-UHFFFAOYSA-N 299.458 4.749 30 10 CJEE C=C(C)CN(C)C(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1437876499 WGGRHAFATUMUIU-KOHRHEQBSA-N 291.479 4.654 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](C)CCCCCC)c1ccccc1 1440870622 CMXIZZUHRDHUOT-WMZOPIPTSA-N 287.447 4.821 30 10 CJEE C=CCCCNc1oc(-c2ccccc2)nc1C(F)(F)F 1458353949 FQTAKFXHOCAHLG-UHFFFAOYSA-N 296.292 4.739 30 10 CJEE C=CCCCCCCCNCc1cc(F)ccc1C 1461552138 IYLCPZUDSOOFCZ-UHFFFAOYSA-N 263.400 4.750 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(F)cc2F)CCCC1(C)C 1473431158 ASYUDAUKEYRRNE-INIZCTEOSA-N 279.374 4.532 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(Oc2ccccc2)o1 1474484446 RSGLEXPTOZRZDM-HNNXBMFYSA-N 283.371 4.612 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cscc1Cl 1518871338 BTVIODISGCXQKV-UHFFFAOYSA-N 291.803 4.772 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(C)c2ccccc12 1521537054 PMIIHVSTOMVKST-AWEZNQCLSA-N 268.356 4.656 30 10 CJEE C=CC[C@H](C(=O)O[C@@H](C)c1ccccc1F)c1ccccc1 1535830293 RJLFXOZIQDFUBR-YOEHRIQHSA-N 298.357 4.790 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 1543285587 YPTHKAMFKNRSCV-CZUORRHYSA-N 291.822 4.606 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(-c2ccccc2)o1 1543937898 NUOCLLQEULOSGC-UHFFFAOYSA-N 297.398 4.669 30 10 CJEE C=CCN(CCC1=CCCCC1)Cc1ccc(OC)cc1 1559493113 OXBNAZFULPRFGU-UHFFFAOYSA-N 285.431 4.574 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccc(C(C)C)c(Cl)c1 1583715161 LXMFGSPOQWZPIP-UHFFFAOYSA-N 293.838 4.796 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@]1(CC)Cc1ccccc1 1617168558 UCMAYCFITOHIMQ-FXAWDEMLSA-N 299.458 4.603 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc(C3CCCC3)cc2)C1 1620451502 DMVJAPXWKRYYFM-MRXNPFEDSA-N 269.432 4.742 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 1621287888 PBJNDPIFKBRBHE-UKRRQHHQSA-N 292.854 4.558 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CCCCCC(C)C 1627249108 LGLBNNKQTAPPJY-MRXNPFEDSA-N 265.441 4.550 30 10 CJEE C=C(C)[C@H](CO)Sc1ccc(C2CCCCC2)cc1 1651762593 SVRYSRYCHLTCLZ-KRWDZBQOSA-N 276.445 4.763 30 10 CJEE C=CCCCCN[C@@H](C)CC12CC3CC(CC(C3)C1)C2 1652251648 VVDDHKFHPXMKOH-OPRRPXDXSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCN(C)Cc1cccc(C)n1 1653204887 GQFWHAZSODEORB-UHFFFAOYSA-N 262.441 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C=CCCCCCCCCN1C[C@@H](C)C[C@H](C)CC1=O 2207382956 XRIVPQQCNTUCOF-IRXDYDNUSA-N 279.468 4.798 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1ccc(F)nc1 2207403119 GTRSSIXGNJNXSN-MRXNPFEDSA-N 278.415 4.917 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCOC[C@H]1C 2207406643 ZJDMTIKLQYNOCC-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1ccncc1F 2207424865 JYPDLSBHXAFFJU-KRWDZBQOSA-N 278.415 4.917 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1CC(F)(F)C1 2207441163 GTGDRXCISLOTNT-HNNXBMFYSA-N 288.426 4.561 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1CCC1)NCCC 2207459138 VVHOAMKOOALNNH-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C(C)(C)N 2208155958 JFHICTSOLRLIMR-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]2(Cl)CC2(C)C)C1 2216109295 OHPGMMLFUVVKTA-GJZGRUSLSA-N 253.817 4.894 30 10 CJEE C=C(Cl)C(=O)CC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2216736164 GPQKOWJMCYKUAM-IHRRRGAJSA-N 254.801 4.695 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@H]1CC(C)C 2220088473 LVOQIDHRFKHYTG-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN(C)CCC1(F)CCC1 2220293624 ABKDIXHKBMHTOB-UHFFFAOYSA-N 255.421 4.727 30 10 CJEE Cc1sc(C(=O)C=Cc2ccccc2)c(C)c1C 2221240761 MMDWFTYRLUVJFY-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@@H](C)CC(C)(C)C 2223594379 LDQWMMSZKGAMOS-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CCCCCCC2CC2)C1(C)C 2225785468 DCDDFWUIFUDOEC-NVXWUHKLSA-N 263.425 4.692 30 10 CJEE CCCCCCCCCCCOCC(C)(C)C(N)=S 2231074720 UEKWHBMEAZERET-UHFFFAOYSA-N 287.513 4.846 30 10 CJEE CCCCCCCCCCCC[C@@](C)(CNC)OC 2231537690 VMSRSHNESVKXMR-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCOc1ccc(Cl)c(N)n1 2232374003 RFKGSRWELPPRSA-UHFFFAOYSA-N 284.831 4.837 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2occc2c1 2232402365 VPWYXJVXZMGBSB-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3C[C@H](CC(C)(C)C)C3)C[C@@H](C1)C2 2233095191 JRIOTHYPKISNDO-FLONXUQKSA-N 275.480 4.926 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc([C@@H](C)OC)cc1 2234962847 SVMKQSDUQJBABG-DAYGRLMNSA-N 275.436 4.647 30 10 CJEE C=CCCCCCCC[C@@H](N)c1c(C)cccc1OC 2235526817 OTBKEAJQBPJBGN-MRXNPFEDSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@]1(C)CCCC1(F)F 2235526880 PFLNCMHVAWZVDP-HUUCEWRRSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCOc1ccc(CCN)cc1Cl 2235531550 ACVVCMLBUUGLAB-UHFFFAOYSA-N 295.854 4.747 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cc(C)ncc1C 2235533242 SHZNEFZEKSNDNV-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)Cc1ccsc1 2235536192 SUQBULHZTHCXNF-QGZVFWFLSA-N 294.460 4.527 30 10 CJEE C=CCCCCCCCC(=O)C(F)(F)C1CCOCC1 2235542048 NZMWMHFVLMNMGY-UHFFFAOYSA-N 288.378 4.534 30 10 CJEE C=CCCCCCCCN(C)c1cccc(N(C)C)c1 2235542946 XTTGZULHEHYWCQ-UHFFFAOYSA-N 274.452 4.715 30 10 CJEE C[C@@](N)(CC#CC1CCCCC1)c1ccc(Cl)c(F)c1 2235865076 TVONUVCWJWBAMR-QGZVFWFLSA-N 293.813 4.627 30 10 CJEE CCCCCCCC(=O)c1cc(OC)c(C)cc1OC 2236786556 WMVIGQAGUOPJIQ-UHFFFAOYSA-N 278.392 4.555 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@]2(C#N)CCC[C@@H](C)C2)c1 2237904848 MCXSHEIZHZTYMO-OAUYIBNBSA-N 291.822 4.576 30 10 CJEE CCC[C@H](CS)CN(C)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2239255238 KODXZERWWWZIGI-XDNAFOTISA-N 297.552 4.871 30 10 CJEE CCCCCCCCCO[C@@H]1CCC(C)(C)[C@@H](NC)C1 2239469459 UOKFBBWQTUHDKA-SJORKVTESA-N 283.500 4.920 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(N)C#Cc1cccc(Cl)c1 2239474343 UCDWXXJMAGZDMF-QZTJIDSGSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCCOc1ccc([C@@H](C)N)nc1 2239508510 VZHGDTVUOJSXEL-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)C1(CC)CCCC1 2239558033 BNGBAAOXLBBYJW-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccnn1C1CCC1 2240627621 IQMVBFVKTRCFGM-KRWDZBQOSA-N 278.440 4.566 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C#N)c(Br)c1 2249948162 GXGMWUQOECENRV-GFCCVEGCSA-N 296.208 4.668 30 10 CJEE CCCCCCC[C@H](C)NC1CC2(CC(F)C2)C1 2254492784 CPZPBHKMLONKHR-CUUNVARJSA-N 255.421 4.606 30 10 CJEE N#CC1(Cc2cc(Cl)nc(Cl)c2)CCCCCC1 2258720686 LJAFTOAWIYPUJJ-UHFFFAOYSA-N 283.202 4.795 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CC)CC[C@H]1NCCC 2258976025 NLPJFBKNCHCUMK-BZUAXINKSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCCC1(C(=O)O)CCC(CC)CC1 2259187678 NRNYUBDHVUYDEJ-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@@H](O)C#CC1CCCC1 2261007806 FNPHXFLHHQSCMP-HNNXBMFYSA-N 283.198 4.529 30 10 CJEE O=C(C#CC1CCCCC1)c1c(Cl)cccc1Cl 2261038339 YXERBTNEZWHSPQ-UHFFFAOYSA-N 281.182 4.760 30 10 CJEE CC1(C[C@]2(C=O)CCCC23CC3)CC(C(F)(F)F)C1 2264527642 YSZUTVFGAXPTSS-YIZWMMSDSA-N 274.326 4.505 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@@H]2CC(F)(F)C23CCC3)CC1 2266139709 DUEDRFFZMLVFQK-AAEUAGOBSA-N 268.347 4.518 30 10 CJEE Cc1cc(C#N)ccc1NC(C(C)(C)C)C(C)(C)C 2266823793 IKKDSWLXGYJKSH-UHFFFAOYSA-N 258.409 4.739 30 10 CJEE CC(C)(C)C#CC=CCC1(CN)CCCCCCC1 2268763925 VYJYOHCSZDOJTH-UHFFFAOYSA-N 261.453 4.672 30 10 CJEE C=C(CC)COc1cc(C)c(Cl)cc1[C@H](C)NCC 2270949010 XHEWRVBLEOLRPI-ZDUSSCGKSA-N 281.827 4.664 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2271784910 ISZVNYUMFOFFJT-XDNAFOTISA-N 263.469 4.927 30 10 CJEE OC1(C#CC2CCCCC2)CCCCCCCCC1 2274072676 KXUYTHLAJPVDHR-UHFFFAOYSA-N 262.437 4.826 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)CC#CC1CCCC1 2274133629 OKOWZGNEIDRRNV-AWEZNQCLSA-N 275.823 4.526 30 10 CJEE CCCCCCC[C@@H](CC1CC(CC)C1)OCCN 2276926923 RLZYGTQVDIXEBV-JCYILVPMSA-N 269.473 4.517 30 10 CJEE CCCCCCCC1(OCCN)CC(C(C)(C)C)C1 2277224795 KQNGDBZNHSMGIC-UHFFFAOYSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@H](C)OC1 2278244750 KOAZPKZQTVWKOO-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE Cc1c(F)ccc(Nc2cc(Cl)c(F)cc2C#N)c1F 2279107712 LVYIMLPERODXJY-UHFFFAOYSA-N 296.679 4.681 30 10 CJEE C=CC[C@@](C)(NCC[C@H]1CCCCC12CC2)C(F)(F)F 2279725312 GHCXUCKXYANLAP-ZIAGYGMSSA-N 289.385 4.834 30 10 CJEE C=CCC[C@H](C)Oc1cc(C)c(CNC(C)C)c(C)c1 2282942596 UMUPYKDYUBBUPW-INIZCTEOSA-N 275.436 4.535 30 10 CJEE C=C(CC)COc1cc(C)c(CN[C@H](C)CC)c(C)c1 2282957860 BBXPPSNVQFCKDC-MRXNPFEDSA-N 275.436 4.537 30 10 CJEE C=CCC(C)(C)CN[C@@H](CCC)c1ccc(OC)cc1 2283569323 YKYIWGCMDDLLEL-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE CCCCCCC[C@@]1(O)CCCc2c(OC)cccc21 2283609376 GIRJMTCAGWPBKS-GOSISDBHSA-N 276.420 4.580 30 10 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281.802 4.794 30 10 CJEE C=C(C)CC[C@@H](C)NCc1ccc(F)cc1C1CC1 2339165357 CHRFLRWUIZYABA-CYBMUJFWSA-N 261.384 4.538 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cccc(Cl)c1Cl 2339570258 VMTLUZYOTREGAP-FZMZJTMJSA-N 296.241 4.694 30 10 CJEE C#Cc1ccccc1NC1CC(C)(C)CC(C)(C)C1 2339904378 GTDBGOKALBRFIE-UHFFFAOYSA-N 255.405 4.685 30 10 CJEE C=CCSc1cc(OC)cc(Cl)c1CNC(C)(C)C 2340227916 QEUGUKPDBAUONW-UHFFFAOYSA-N 299.867 4.515 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2343131090 YOEYKPRWSOPGHN-GWCFXTLKSA-N 280.774 4.587 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(Cl)cn1 2344386888 ZYCYTEUMIQHHCT-CVEARBPZSA-N 280.843 4.768 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC[C@H]1CCC(C)(C)C1 2344856048 ZKTJEOYVDWTJHO-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)C1CC(C)(C)C1 2352010272 YCOLBDGBQZYNJH-INIZCTEOSA-N 282.449 4.520 30 10 CJEE CN(C[C@@H]1C[C@@H]1C(C)(C)C)C[C@@](C)(CS)C(C)(C)C 2352321640 WDICTRYHFDBBDM-ZQIUZPCESA-N 285.541 4.583 30 10 CJEE 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30 10 CJEE C[C@@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C[C@H]1C 251850756 OYVAGOVETOHFQT-GYSYKLTISA-N 297.320 4.781 30 10 CJEE CC[C@H](C)c1ccc(NC2CCC(C#N)CC2)cc1 258910805 XDPKFZDSUWEOMV-HLIUYOAVSA-N 256.393 4.694 30 10 CJEE CCC(CC)c1ccc(OC)c(C(C)(C)CC#N)c1 260435455 GOIBERAVSMVJSV-UHFFFAOYSA-N 259.393 4.790 30 10 CJEE N#CC1(c2cc(C(F)F)cc(F)c2F)CCCCC1 260574973 OHOHCWLSEOSLFL-UHFFFAOYSA-N 271.257 4.628 30 10 CJEE Cc1cccc(Br)c1C(=O)C1=CCCCCC1 310585678 VHPLIEAHCQTRSH-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE N#Cc1ccc(N[C@@H]2C=CCCCCC2)c(Cl)c1 310615245 FLHLRFIJOBUEQR-CYBMUJFWSA-N 260.768 4.512 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(C)c(C)s1 311890447 WGQRNOAPHAFVIU-OAHLLOKOSA-N 277.477 4.845 30 10 CJEE Cc1cc([C@@]2(C#N)CCC[C@@H](C)C2)c2ccccc2n1 312331952 ZSIXBZALCFHXDO-ACJLOTCBSA-N 264.372 4.515 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 312512148 ZUSVASFOACVFRA-HZMBPMFUSA-N 285.284 4.816 30 10 CJEE C=CCCCC1(CNCC)CCC(C(C)C)CC1 317074860 HDVUPPJAOMWAFG-UHFFFAOYSA-N 251.458 4.785 30 10 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30 10 CJEE C=CCCCCCCCNC[C@H]1CC2(CCCCC2)O1 2235524179 NQUKLAMOMIHVJT-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CCC12CCC2)NN 2235526689 NPXGHOUIRWKASC-DLBZAZTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCN(C(C)C)CC1 2235531710 CBPMCFYLWSPONL-GOSISDBHSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccc(F)cc1C 2235537787 FAPQDGOXTVIUJI-KRWDZBQOSA-N 278.415 4.555 30 10 CJEE C=CCCCCCCC[C@H](NN)C1(C)CC2(CCC2)C1 2236531287 WXBFWSGRIWDCEB-INIZCTEOSA-N 278.484 4.705 30 10 CJEE CC1(Nc2cccc(Cl)c2C#N)CC2(CC(F)(F)C2)C1 2239165815 HOVPXLKQMQODOX-UHFFFAOYSA-N 296.748 4.592 30 10 CJEE CCCCCCCCCOCC[C@H]1CCC[C@H]1NCC 2239454524 JJYCGHGPGJSMEF-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](CC)(CCC(C)C)C(=O)O 2239502372 SCSTYIUMKMQNBL-RDJZCZTQSA-N 284.440 4.808 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCC2(CC2)[C@H]1O 2239545717 LALDATYQXDYEHK-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@](C)(CO)NC1CCCCCC1 2240556991 SXYJIJSZRVCXOF-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@H](C)N(C)[C@H](C)C1 2240653618 IVWPHOMOXZXXKW-ZJPYXAASSA-N 282.516 4.586 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCCC)C(C)(C)C 2240654240 PPBDIAJYMBNYAE-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CC[C@H](CS)CSC[C@H]1CCCCC1(F)F 2243508528 CEZNBGDLBKWZQY-GHMZBOCLSA-N 268.438 4.501 30 10 CJEE C=C(Br)COc1cccc(-c2ccccc2)c1 2249827400 CUCVQDYEMJAJLJ-UHFFFAOYSA-N 289.172 4.641 30 10 CJEE C=C(C)CCCCNc1cc(F)c(F)cc1Cl 2250147263 FCEOXFBQAAYDCV-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE CCC[C@@H](CC)CNc1ccc(C#N)cc1Br 2250379977 WQLQAPHMHXTZSI-LLVKDONJSA-N 295.224 4.559 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCCC(F)(F)CC)C1 2256431005 XXYHZQFUTMYTCK-FRRDWIJNSA-N 275.408 4.873 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C=O)CCC(F)(F)C1 2257292528 OLQHKEJJXGEPTK-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE C=CCCCCCCCSc1nc(C)c(CN)s1 2258977011 XFBABFOPTRHERO-UHFFFAOYSA-N 284.494 4.529 30 10 CJEE C=C(C)CCCC[C@H](O)C(C1CCC1)C1CCC1 2259202409 DWXOCKQAGGQNCI-INIZCTEOSA-N 250.426 4.700 30 10 CJEE C=C(C)CCCC[C@]1(O)CC[C@@H]2CCCC[C@H]2C1 2259232687 DXCODWPEBXJVGI-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@@H]1C(=O)OCC 2263713840 UJIYDQPMNASHPL-ZBFHGGJFSA-N 254.414 4.716 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccoc1 2263718679 TVHXJAPQFRTUSY-HNNXBMFYSA-N 251.414 4.898 30 10 CJEE C=C1CC(C(=O)CCC23CC4CC(CC(C4)C2)C3)C1 2265145786 AMPAVFGCGFDMMM-UHFFFAOYSA-N 258.405 4.518 30 10 CJEE CCCCCCC[C@](C)(N)Cc1ccc(C)cc1F 2266844037 VZZWSNRWYFMJBK-KRWDZBQOSA-N 265.416 4.755 30 10 CJEE CCNc1cccc(C#Cc2c(C)sc(C)c2C)c1 2268391615 VCMXYBCAAMAVAX-UHFFFAOYSA-N 269.413 4.505 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](N)CC=CC#CC(C)(C)C)C1 2268749152 XJLQEYPYNSOHFD-IXDOHACOSA-N 261.453 4.526 30 10 CJEE CC[C@@H](C[C@@H](N)CC=CC#CC(C)(C)C)C(C)(C)C 2268824537 MPWBYLARSINJJY-HOTGVXAUSA-N 263.469 4.772 30 10 CJEE CCC(CC)(CC)CN(C)CC=CC#CC(C)(C)C 2268826512 VIHIDFPLBTYUBF-UHFFFAOYSA-N 263.469 4.740 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1C[C@]1(C)COC 2269217585 OFTXGKLFHUJWPK-IXDOHACOSA-N 270.457 4.551 30 10 CJEE CC1(CSCC2(C#N)CCCC2)CC(C(F)(F)F)C1 2271716047 GZVSHSDJGJTIJX-UHFFFAOYSA-N 291.382 4.782 30 10 CJEE C=C(C)CCCC[C@@H](CCOCCC(C)C)NCC 2271781072 LGACEXKJMJRFHD-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE C=C(C)CCCCC(=O)[C@H](C)Oc1cccc(Cl)c1 2271837410 SJWZJYHQZDXDBI-ZDUSSCGKSA-N 280.795 4.813 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1CC2(CC(C)C2)C1 2272123806 TVEIWMIZBXSFLK-ZZEXBNFBSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCO[C@@H](C)CNCCC(C)(C)C 2272507246 GIVUBSBFVFGCBD-INIZCTEOSA-N 269.473 4.554 30 10 CJEE C=C([C@H](NCCC)[C@]12CCCC[C@@H]1CC2)[Si](C)(C)C 2273338045 SWUSMACEQLHARM-IKGGRYGDSA-N 279.544 4.759 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@]12CCCC[C@@H]1CC2 2273379636 LTSQFDRULTUVLO-CZUORRHYSA-N 274.795 4.594 30 10 CJEE CC1(C)CCC[C@@H]([C@H](O)CC#CC2CCCC2)CC1 2274121322 JNFZKGOUADOUFT-IAGOWNOFSA-N 262.437 4.538 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)[C@@H](C)CC(C)C 2276157823 CMHZVPSYOSQJQC-DLBZAZTESA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1C[C@H]1C)OCCN 2276725502 BGRBAZGZBGPYNU-IXDOHACOSA-N 269.473 4.517 30 10 CJEE C=CCC[C@](C)(C[C@@H](CC)CCCC)OCCCN 2276815862 QELPMHQKRYUJHO-DLBZAZTESA-N 269.473 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@](CC)(CCC(C)C)OCCCN 2277145755 TWFBKRNSMFMRFW-QGZVFWFLSA-N 269.473 4.539 30 10 CJEE SCCCCCCCN1CCC(C2CCCC2)CC1 2277508137 RELPWZNBLZFKCE-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCC[C@H](CC)CS[C@H](C)C[C@@](C)(C#N)NCC 2278325914 RMWAFUMOTACKSO-PMPSAXMXSA-N 284.513 4.606 30 10 CJEE CC#CCCC[C@@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279185444 DLKIFNPVLLADAZ-SHARSMKWSA-N 289.385 4.527 30 10 CJEE C[C@H]1C[C@](C#N)(CC[C@H]2CCCCC23CC3)C[C@@H](C)O1 2279751015 UFPQIAJXGLCQQZ-TWMKSMIVSA-N 275.436 4.834 30 10 CJEE N#CC1(CC2CC3(CCCC3)C2)Cc2ccccc2C1 2279956653 HHIAUQSBDVYARN-UHFFFAOYSA-N 265.400 4.656 30 10 CJEE Cc1cc(N[C@H](C)[C@]23CCCC[C@H]2C3)cc(C)c1C#N 2280570305 KVGCHEDPNPGCIF-RVKKMQEKSA-N 268.404 4.556 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1sccc1CC 2282913433 VARRQLMLGSXPCY-IAGOWNOFSA-N 297.508 4.683 30 10 CJEE C=C(C)CCCCC(=O)C1(O)CC(C)(C)CC(C)(C)C1 2287375618 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C=CCCCCC[C@](C)(C[C@@H](C)C(F)F)OCCCN 2292907739 FBYIMPDTBGATSW-GDBMZVCRSA-N 291.426 4.538 30 10 CJEE C=CCC[C@H](C)[C@](CCC(C)C)(OCCCN)C1CC1 2293139758 VAUDJFQKDBDZQK-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCCC[C@H]1C(C)C 2293140351 ZSIIWRKSIFWXJT-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1ccc(Cl)cc1F 2293268905 NPURFGLCYOJQMM-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@@H](OCCN)C1=CC[C@@H](CC)CC1 2293273082 YBJLPDIUQQGOOB-SJLPKXTDSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCCN)[C@@H]1CCC[C@@H](C)C1 2293362062 MFWSMWDGACCENI-KYJSFNMBSA-N 281.484 4.539 30 10 CJEE CCOc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2294300095 RLHVHCVHSLEKGL-UHFFFAOYSA-N 280.367 4.598 30 10 CJEE CCCCCCCCC1(OCCN)C[C@H]2CCC[C@@H]2C1 2294567519 HJUVNVQYWDZQRX-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCN[C@@H]1CCCCC[C@H]1C#Cc1ccccc1Cl 2295205803 ZBCURPNBZDENHN-FUHWJXTLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cnn(CC)c1 2295677160 ROHVRTAIWVXRND-INIZCTEOSA-N 279.472 4.522 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(Br)c1 2304039932 CDNUXCNGNWDCMY-HUUCEWRRSA-N 296.252 4.702 30 10 CJEE COc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2313506024 IUVAYOLBKVEQQG-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=C([C@H](CCC[C@H]1C[C@H]1C)NCCC)[Si](C)(C)C 2318944231 OCUDRJSLDUNTMA-KBMXLJTQSA-N 267.533 4.615 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)cc(Cl)c1 2321102982 VRFWPEVDEIZHKB-HZPDHXFCSA-N 265.828 4.901 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1csc2ccccc12 2321227051 ATHXJIUJKPSWMB-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC[C@H]1CCC(C)(C)C1 2321605672 NZPRJZYYKIHSIK-UXLLHSPISA-N 251.458 4.913 30 10 CJEE C[C@@H]1CCCCCCN1C[C@](C)(CS)C(C)(C)C 2327080810 QLEMGPHVWPZHJN-GDBMZVCRSA-N 271.514 4.623 30 10 CJEE C=C([C@H](NC)c1c(Cl)cc(C)cc1Cl)C(F)(F)F 2327873443 ROEUYSJSHIUCFU-NSHDSACASA-N 298.135 4.681 30 10 CJEE C=C(C(F)(F)F)[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2327973923 DMTCHXVUYMUCTD-NSHDSACASA-N 298.135 4.594 30 10 CJEE C=CCCON=C(c1ccc(SCC)cc1)C1CC1 2330392163 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C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)ccc1F 2344341941 GDFJNZOPYYNPFH-SJORKVTESA-N 263.400 4.777 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(CCC)c1 2344345293 MJVCAXLDMRWWOW-QAPCUYQASA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccsc1OC 2344377004 RQMOIMCNARFHBR-GOEBONIOSA-N 281.465 4.790 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C#CC1CCCC1)NCCC 2344382472 GEJYYJOKOJGNFQ-QZTJIDSGSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccccc1C(F)(F)F 2344419936 JGRSUEJDXWQLRT-AWEZNQCLSA-N 270.294 4.881 30 10 CJEE CC(C)C1(CN(C)C[C@](C)(CS)C(C)(C)C)CCC1 2352292655 CSHDJYGDRAAFKN-MRXNPFEDSA-N 285.541 4.727 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2C[C@@H](OC)[C@@H]2C1 2357044292 NNRGBVYRALOCMA-BSDSXHPESA-N 282.468 4.693 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1)C(F)(F)F 2357697558 AQXOLGBHGAGVPK-RRFJBIMHSA-N 289.385 4.690 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@]12CCC[C@@H]1CC2 2359893327 ITUIAHMEWLWTRT-CEXWTWQISA-N 273.464 4.519 30 10 CJEE CCOc1ccc(/N=C/c2c(C)[nH]c3ccccc23)cc1 4956762 PRERPWLWHRXJPI-XDHOZWIPSA-N 278.355 4.626 30 10 CJEE CC(C)=NC[C@@]1(C)C[C@H](N=C(C)C)CC(C)(C)C1 31361739 CQPAWBDJYIEKOZ-ZBFHGGJFSA-N 250.430 4.533 30 10 CJEE C=CCSc1ccccc1NCc1ccc(Cl)o1 37766896 YZMDNUNEPIWVDD-UHFFFAOYSA-N 279.792 4.823 30 10 CJEE CCCCCCCNc1ccc(C(C)(C)C#N)cc1 59419434 QLXCGDUIFJVXQY-UHFFFAOYSA-N 258.409 4.870 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCO[C@H](C(C)C)C1 70357464 SSLHTCKJVTXXAM-ZBFHGGJFSA-N 291.460 4.580 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3cccc(C)c32)c1 71465293 ZIFWBDZCJOMZLI-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE C=C(C)Cn1c(-c2ccc(N)cc2)nc2cc(Cl)ccc21 71744191 HMUCPHVIUKDBQD-UHFFFAOYSA-N 297.789 4.515 30 10 CJEE CCc1ccc2c(c1)nc(CS)n2[C@H](C)c1ccccc1 74296705 VGQFWZVGTUUIAI-CYBMUJFWSA-N 296.439 4.638 30 10 CJEE N#Cc1ccc2c(c1)nc(-c1ccccc1Cl)n2C1CC1 86636594 JWHKUNPBXBVIKL-UHFFFAOYSA-N 293.757 4.563 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86922569 OZQKSVJNIQYTHD-GOEBONIOSA-N 256.393 4.719 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCC[C@H]1O 91323655 XKSBPQGIFRKKCO-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE N#Cc1cccc(CSCc2ccc(Cl)cc2F)c1 96549530 CDRWFKNFIAWFCF-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE O=C(/C=C\Nc1ccccc1C(F)(F)F)c1cccs1 105112552 WRJZULCGSOJKKZ-FPLPWBNLSA-N 297.301 4.575 30 10 CJEE CCCCCCCCCC[C@H](Cc1cccnc1)NC 109740701 LDNYJZQHFIRRRL-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCCOC1 116141195 ZRVPJMVLJQCPIK-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCn1ccc([C@@H](N)CCC)c1 118244245 AWMNAAKAKUYQPR-INIZCTEOSA-N 250.430 4.649 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C#N)ccc1Cl 127887236 QVUYMMIXVMIIRB-UHFFFAOYSA-N 292.810 4.901 30 10 CJEE C#CC[C@H](CC)N[C@H](C)c1sc2ccccc2c1C 129831595 GXXZOSFDXYFLOZ-KGLIPLIRSA-N 271.429 4.662 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](OCC)C1CC1 130475984 BWIBIFLSIIYMEL-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC[C@H](O)COCCC 130484494 NSVRDNFHUZUQOW-INIZCTEOSA-N 258.446 4.695 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2Cl)cc1F 135235630 UKCINYRJCREOFK-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cnsn1 135565853 CPZLWBVKBNMCGE-OAHLLOKOSA-N 284.469 4.883 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cccnc1OC 139477201 STCRPVJWXIXMJW-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(Cl)c(C#N)c1 155870687 UIIIYEFIRXWTHO-IAQYHMDHSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H](N)c2ccccc21 157467663 BDFXQAVLYAQIAU-MOPGFXCFSA-N 288.479 4.862 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)C 191441506 MZCUJNRSGRPJTD-UHFFFAOYSA-N 288.435 4.706 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1cccc(Cl)c1F 213758149 APEIINGQXZSRAX-WCQYABFASA-N 295.785 4.872 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 217942688 NQAGRZZKOKLPGS-RCCFBDPRSA-N 278.484 4.996 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(OC)cc2)C1 222251909 CZGLSLKVGUVZQT-KEYYUXOJSA-N 289.444 4.896 30 10 CJEE CCCCCCCCNc1nc2cc(C)ccc2o1 226004711 YHNUVEMJTQRVJA-UHFFFAOYSA-N 260.381 4.909 30 10 CJEE C#CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCC 227924503 XFXOCPPNILBKOO-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1CC 228142362 PGKCEFIYBRJNOT-RRFJBIMHSA-N 289.554 4.692 30 10 CJEE C#CCCCCN[C@@H](C)c1sc2ccccc2c1C 229642584 DEKIRHXVOUVFIB-AWEZNQCLSA-N 271.429 4.664 30 10 CJEE CC(C)(CCC#N)CN[C@@H](c1ccccc1)C(C)(C)C 229679516 XFWDNMBZCDMJAW-INIZCTEOSA-N 272.436 4.693 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc2c(s1)CCC2 229754719 WRYWIMKNNSMPHN-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cc(Cl)ccc2F)C1 231191051 WOOGXRVBSVQWIJ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCC(=CC(=O)Cc1cccc2ccccc12)CC 232871238 HONBJBOICCXOOI-UHFFFAOYSA-N 252.357 4.698 30 10 CJEE CC1(CNc2ccc(C#N)c(Cl)c2)CCCCC1 233048588 AOFPEFHHJGPZJP-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCCOc1ccc([C@@H](C)NCC)cc1C 233617667 HXSGTSHWBDTMCF-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(Cl)ccc1OC 234436256 GOSPVBCITAHQFL-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CC1=C[C@@H](C)C[C@@H](CNc2ccc(Cl)c(C#N)c2)C1 235716255 UFKKOUZXUMLHKW-DGCLKSJQSA-N 274.795 4.616 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Cl)cc1F 236302937 OVJWRXUMHQILPP-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1C2 252832183 YTEMXNNUYFVPJC-ITDIGPHOSA-N 280.198 4.866 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)CCCC 300956459 PSAZEQZUFPRTTK-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE C=CCCCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 310898628 MGQFKFKIKYFHPV-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC1(C)CCC(C#N)(c2ccc3ccccc3n2)CC1 312264053 LKWLNWLUDKAFPI-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 317785467 DEYLXEXIKWPLQP-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](C)NCc1cc(C)cs1 379093453 FGXGGGPALBAULB-AWEZNQCLSA-N 253.455 4.895 30 10 CJEE C=C(CC)C[C@@H](NC)c1cccc(OCc2ccccc2)c1 381808194 XZUUNLVQPZQIDC-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@@H]1CCCc2ccccc21 384868202 OHLBNHDKDKSGJQ-UWWQBHOKSA-N 253.389 4.827 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(Br)s1 384898833 WBEIURMROJMMCK-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2c(OCCC)cccc21 393802333 UPHMRKUWIHBSQA-GFCCVEGCSA-N 290.432 4.641 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(F)cc1C(F)(F)F 398084651 TXPJVQMKEHAJJR-LLVKDONJSA-N 289.316 4.679 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccccc1Br 398112237 NNVCGVYDFVSRLS-QWHCGFSZSA-N 296.252 4.845 30 10 CJEE C=CCCCC(=O)Nc1ccccc1CCC(C)C 531120265 INWRSQRXLBTEOJ-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@H]1C(C)(C)CC)c1ccccc1 536234002 SGUYHHKQTWPFHP-SJLPKXTDSA-N 299.458 4.774 30 10 CJEE C=C(C)C[C@@H](C)c1nc(C2(c3ccccc3)CCC2)no1 561905278 OHRRXACDPDIKPR-CQSZACIVSA-N 282.387 4.609 30 10 CJEE C=CCC[C@@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 580380420 JBIJZXLNCYBCKJ-QGZVFWFLSA-N 298.430 4.769 30 10 CJEE CCOc1ccccc1/C=C\C(=O)c1ccc(C)cc1C 606208302 PCKAEWJMWPLSSH-BENRWUELSA-N 280.367 4.598 30 10 CJEE Cc1c(C(=O)/C=C\c2ccccc2)cccc1C(F)(F)F 642882824 YCALZPIGTUYJGV-KHPPLWFESA-N 290.284 4.910 30 10 CJEE C#CCCCCC[C@@H](NCC)C1CCC2(CC1)CC2 686690197 QPZADSCFMCVEIL-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CCSc1cccc(N=C2NC(CC)(CC)CS2)c1 690174758 IYLNOBXSGPVEDI-UHFFFAOYSA-N 294.489 4.681 30 10 CJEE C=C[C@@H](C)Nc1ccc(OCc2ccccc2)cc1C 691048119 JXSAHCDNKOEVOU-OAHLLOKOSA-N 267.372 4.560 30 10 CJEE CC(C)C1CCC(C#N)(CCOCC2CCCC2)CC1 693048272 RHCYECOFUOSDMB-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@H](N)CC 695312679 SEEYRVCHJOVMOV-SJORKVTESA-N 271.489 4.786 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)CC1 695704979 RCIQUDNNEJOQNH-SWLSCSKDSA-N 276.811 4.982 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1CCCC(C)(C)CC1 697603987 JPQZLQWFTSWORN-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE C[C@H]1CCC[C@H](N(C)CC2(CS)CCCCC2)CC1 697838619 RJAKYSLCNGVZEK-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE C=CCC[C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C 699099854 YYSYWSFJAXPOFM-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CC[C@@H](Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F 702920503 ONCISRHPZNCPNE-SECBINFHSA-N 289.194 4.597 30 10 CJEE CCCCCCCC[C@]1(N)CCc2c(F)cccc21 704426736 CQBAPXWVMDTHDZ-KRWDZBQOSA-N 263.400 4.677 30 10 CJEE Cc1ccccc1S[C@H](C#N)[C@@H]1CCCC[C@H]1C 704930588 HTRGZWSZKYYUQT-XNRPHZJLSA-N 259.418 4.806 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H]1CCCC12CC2 706250668 RSTJJQKLZLAAGY-HZPDHXFCSA-N 266.473 4.539 30 10 CJEE C=CCCC(C)(C)CNc1ncc(C)cc1Br 707742541 GHBNLDVJVUPNBV-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2cc(C)ccc2o1 710639721 VNKJTGCPPAAZJF-CYBMUJFWSA-N 263.768 4.534 30 10 CJEE C=CCCCCC[C@H](NC)c1cscc1Cl 711580593 JBCSSPORMPNXKN-ZDUSSCGKSA-N 257.830 4.799 30 10 CJEE CCCCCCCCC[C@H](CC(C)(C)COC)NC 712627653 VYECEMZOCVOXMW-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE N#C[C@H](C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1cccs1 714406554 FAQJZVAAZXYNCG-XQLPTFJDSA-N 287.428 4.531 30 10 CJEE C=CC[C@H](C)[C@@]1(O)CCCC[C@H]1C1CCCCC1 715062011 CDNGHOXLVBRCHR-XIRDDKMYSA-N 250.426 4.700 30 10 CJEE CC1(C)CCCCC/C1=C\B1OC(C)(C)C(C)(C)O1 719346547 JMFPDKUYPQVSDI-OUKQBFOZSA-N 264.218 4.535 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)CCCC2CC2)C1 720147764 KJJBVQZQTKGGAX-HNNXBMFYSA-N 277.452 4.674 30 10 CJEE N#Cc1c(S)cc(SC(F)(F)F)c2sccc12 725292030 IVLUSRWHLKJRMF-UHFFFAOYSA-N 291.344 4.674 30 10 CJEE N#Cc1ccc(Sc2ccc(C(F)(F)F)cc2)cc1 725414770 LBFUBBAIIGBLFC-UHFFFAOYSA-N 279.286 4.728 30 10 CJEE CC/C(=N\OCc1ccc(F)cc1)c1ccc(F)c(C)c1 821224635 SVMHQDFSEOLLAO-LVZFUZTISA-N 289.325 4.604 30 10 CJEE C=CCCC[C@H](Nc1nnc(C(F)F)o1)c1ccccc1 882918045 AYWDXUFZQCKYPL-LBPRGKRZSA-N 293.317 4.517 30 10 CJEE C=CC1(CC(=O)N(C2CCCCC2)C2CC2)CCCCC1 1125404016 DXDRNLMMJPOMQR-UHFFFAOYSA-N 289.463 4.837 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H]2CC[C@H](CC)CC2)C(C)C)c1 1125841840 CANWJPHLYQYZSS-SAABIXHNSA-N 297.442 4.626 30 10 CJEE C=CCCCCCN(C)C(=O)C1(c2ccc(C)cc2)CCC1 1126398834 ZSLBXPKJNAWSCV-UHFFFAOYSA-N 299.458 4.622 30 10 CJEE C=CC(C)(C)CC(=O)NC1CCC2(CCCCC2)CC1 1128118717 UHZINGYPMFBJTJ-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=CCC1(NC(=O)[C@@H](C)Cc2ccc(C)cc2)CCCCC1 1129028739 MVKGTTZKSJNQCN-KRWDZBQOSA-N 299.458 4.569 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2ccccc2n1CCC 1131384799 GCHQXGIEMRUANK-UHFFFAOYSA-N 298.430 4.526 30 10 CJEE C=CCC(C)(C)C(=O)N1CCC(c2cc(C)cc(C)c2)CC1 1158507387 KQIGXSDIBVDIJT-UHFFFAOYSA-N 299.458 4.612 30 10 CJEE C#CCOc1ccc(CNc2cc(C)c(Cl)c(C)c2)cc1 1202126217 HAVNFLNJCMJRMH-UHFFFAOYSA-N 299.801 4.581 30 10 CJEE C=CCCCCCN(C)Cc1ccc(C2CC2)cc1 1204769786 WCKPLPCWCBZAPB-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=CCN(Cc1cccs1)C[C@H](C)c1ccc(C)cc1 1205163228 XMLRUFYXCOISDC-INIZCTEOSA-N 285.456 4.848 30 10 CJEE C=CCC[C@H](CC)NC[C@@H]1CCCCC(F)(F)C1 1205931710 HBDDQZWMMFNDSR-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1CCC(F)(F)CC1 1307926612 XFRGZKGWROQQOW-CABCVRRESA-N 271.395 4.536 30 10 CJEE C=CCCCCC[C@H](C)NCc1ccc2c(c1)C[C@H](C)O2 1308932925 UMRDLFVSUMUNSV-HOTGVXAUSA-N 287.447 4.625 30 10 CJEE C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 1353746238 KOUMUAYMLADUCV-FGTMMUONSA-N 297.442 4.812 30 10 CJEE C=CCCCC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 1354097228 QXCVENALGGBDKZ-INIZCTEOSA-N 293.838 4.900 30 10 CJEE C=C[C@@H](CC(=O)NCC1(C)CCCCCC1)c1ccccc1 1435693351 NUBLFTPHPKDUOG-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=CC1(CC(=O)Nc2c(C)cccc2F)CCCCC1 1435713961 RLHNESCJCQCLMK-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)CC)cc1 1439846708 NQZANFRLMGGQKX-SFHVURJKSA-N 299.458 4.945 30 10 CJEE C=CCCCCCN1CCC[C@@H]1c1ccccc1C 1459316925 DZAFPBNFFMZHCF-GOSISDBHSA-N 257.421 4.878 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1470531812 GNUPSBGETFVAKM-IXDOHACOSA-N 294.483 4.589 30 10 CJEE C=C(CC)CN[C@@H](C)c1cccc(SC(F)(F)F)c1 1473807063 IFBVVOPCGZGIFS-NSHDSACASA-N 289.366 4.915 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(F)c(C(F)F)c1 1474675138 RUQIIIAVUUTBTA-JTQLQIEISA-N 257.299 4.920 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 1477188720 QBCCWGLWLHIXBO-FUHWJXTLSA-N 298.430 4.810 30 10 CJEE C=CC1(CC(=O)O[C@@H]2CCC[C@H](C)[C@H]2C)CCCCC1 1520874687 HBBRPVRGLRVSIQ-ARFHVFGLSA-N 278.436 4.881 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1ccccc1C 1529305216 IOSSYSGPZVUDEG-KRWDZBQOSA-N 299.458 4.693 30 10 CJEE 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CJEE C=CC[C@@H]1CCN1Cc1ccc(Cl)c(C(F)(F)F)c1 1656411450 RTUPPCPWWQQPEA-LLVKDONJSA-N 289.728 4.509 30 10 CJEE CCCCCCCCCN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 1658710089 BTHCLOGTSKUCSD-CADBVGFASA-N 275.480 4.881 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 1658875716 RCYOTSPZQCRFBA-RTBURBONSA-N 298.474 4.752 30 10 CJEE C#Cc1ccc(NC[C@H]2CCCC[C@H]2CC)c(Cl)c1 1659012726 PCEDESSTESMNAQ-HUUCEWRRSA-N 275.823 4.950 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(C(F)(F)F)c(C)c1 1664509493 IIVSGBASNFRKJB-AWEZNQCLSA-N 283.337 4.554 30 10 CJEE CC1(CNc2ccc(C#N)c(Cl)c2)CCC2(CC1)CC2 1875709175 RTICFNPNVOEQPB-UHFFFAOYSA-N 288.822 4.984 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](COC)CC(C)C 1879041765 ZYZAANYWKQNWCE-IRXDYDNUSA-N 271.489 4.634 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCC1(C)C 1882892804 QVKSUKGPPPATSZ-YJBOKZPZSA-N 271.404 4.559 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CCC[C@@H](OC)C1 1883425181 CYJHOFFKTKLVLU-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 1883819792 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C=CCCCCCCC[C@H](O)c1ccc(C)nc1C 2227287152 ZSDMTPVXVCHVKA-KRWDZBQOSA-N 261.409 4.649 30 10 CJEE CC#CCCC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2228025214 IERNMIGRPGVLHH-ZDUSSCGKSA-N 289.728 4.552 30 10 CJEE C=CC1(CNCC2(C)CC3(CCC3)C2)CCCCC1 2228297478 YZKNQHMSFVILQA-UHFFFAOYSA-N 261.453 4.683 30 10 CJEE C=CCCCCC[C@@H](N)C1(C)CC2(CC(F)(F)C2)C1 2230584630 KYPZVIPYQRRYAF-CYBMUJFWSA-N 271.395 4.666 30 10 CJEE CCCCCCCCCO[C@@H](C)CCNC(C)(C)C 2230989602 KLSJJPPJANCSEX-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCOCCCCCNC(C)C 2230995538 POMPBCXQAMLIRF-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@](C)(CN[C@H](C)CC)OC 2231571191 DCPZWAYIEFDANB-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE C=CC[C@H](C)Oc1ccc(CN[C@H](C)CC)cc1Cl 2231584114 KSTPJODLJHRBPI-OLZOCXBDSA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H](COC)C(C)C 2231902698 FWWCAEUEFBMMCK-SJORKVTESA-N 272.473 4.797 30 10 CJEE CCCCCCCC[C@H](C)n1cc(N)c(C(F)F)n1 2231903249 AJVXKUWXJUXQOV-NSHDSACASA-N 273.371 4.715 30 10 CJEE CCCCCCCC[C@](C)(N)c1cnc(C2CC2)s1 2231911277 NMOJIHDOEWKENE-INIZCTEOSA-N 280.481 4.945 30 10 CJEE C=CCCCCCCCCN1CC(F)(F)C[C@@H]1CC#N 2234001777 NIFYDQCXNLOHNA-HNNXBMFYSA-N 284.394 4.526 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCC[C@H](NC)[C@@H]1C 2234040355 FPXQRVXXHFHDMT-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CCc2ccccc21 2235521057 FWGGIBFTPMKTBX-MOPGFXCFSA-N 272.432 4.994 30 10 CJEE CCCC(CS)(CCC)COc1ccc(N(C)C)cc1 2237698622 ROZJWCMBTDSUFF-UHFFFAOYSA-N 295.492 4.648 30 10 CJEE CCSc1cccc(O[C@H]2CCCC(F)(F)C2)c1C#N 2238680554 RYOCQMHHWURTLT-NSHDSACASA-N 297.370 4.627 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)CC(F)(F)c1ccccc1 2240090768 MOSAAPFOPFWPAV-GJZGRUSLSA-N 281.390 4.749 30 10 CJEE CCCCCCCC[C@](C)(N)[C@H]1C[C@H](OCC)C1(C)C 2240621700 KYJDOCNRVDMCNP-BQFCYCMXSA-N 283.500 4.906 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@]12CCCOC2 2240653085 CGWDAEIFGKMMND-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1CCO 2240666053 JMENFPCZUBFCFK-KSZLIROESA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCOCC12CCC2 2240667741 YYVXPPYWLYUSJP-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@H](N)c1c(Cl)c(C)nn1C 2240898084 DAYDZUZKQYNGJL-AWEZNQCLSA-N 299.890 4.913 30 10 CJEE C=CCCCSC[C@@H](N)c1cccc(Cl)c1Cl 2250015644 HGEQXRBORWSAHQ-GFCCVEGCSA-N 290.259 4.693 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2CC(C)C2)C1 2256501654 ZLPOWMPVKUUFEV-JREQNMATSA-N 265.466 4.874 30 10 CJEE CC(C)CCC[C@H](C)CCOCC1(CC#N)CC1 2257261210 RUPKTIGZWBGPQQ-HNNXBMFYSA-N 251.414 4.549 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N 2258975935 MPCJQMWFITVUPR-SOUVJXGZSA-N 269.498 4.618 30 10 CJEE CCCCCCCCC[C@](C)(C#N)N1CCCC1 2263715280 IUSSXFXHIOWIAV-MRXNPFEDSA-N 250.430 4.505 30 10 CJEE CC1(C[C@]2(C#N)CCC(F)(F)C2)CC(C(F)(F)F)C1 2264688154 FUYSZZHBJBDKJU-VQXHTEKXSA-N 281.268 4.684 30 10 CJEE CCCCCCC[C@](C)(O)c1cc2cccnc2s1 2265315901 KMOOVEBWTHNGDG-INIZCTEOSA-N 277.433 4.864 30 10 CJEE CC[C@H]1CC[C@H]([C@@H](O)CC=CC#CC(C)(C)C)CC1 2268822570 ICZZQQYQSFPXHW-ULQDDVLXSA-N 262.437 4.560 30 10 CJEE Cc1cc(COCCCCCC(C)C)ccc1C#N 2269434169 NAILEPGGFWYGOM-UHFFFAOYSA-N 259.393 4.600 30 10 CJEE C=CCCSC[C@H](NCC)c1c(C)cc(C)cc1C 2271589315 FNOXBENGCBCHSE-INIZCTEOSA-N 277.477 4.572 30 10 CJEE C=C(C)CCCCNC[C@H]1CCCC[C@H]1C(F)(F)F 2271840588 DDKCHZARGBGJLA-ZIAGYGMSSA-N 277.374 4.691 30 10 CJEE C=C[C@@](N)(c1cccc(C2CCCC2)c1)C(C)(C)C 2273545769 RTBLYKXSWQITGS-GOSISDBHSA-N 257.421 4.730 30 10 CJEE Cc1cc2sc([C@@H](O)CC#CC3CCCC3)cc2s1 2274114775 WYVAMNJSFZWCHZ-ZDUSSCGKSA-N 290.453 4.888 30 10 CJEE C=C([C@H](NCC)C1CC(CC(C)(C)C)C1)[Si](C)(C)C 2274232361 OZAREUBTXYLKOK-GPANFISMSA-N 281.560 4.861 30 10 CJEE C=C(Cl)C[C@@]1(OCCCN)CCC[C@@H](CCC)CC1 2276226557 XKHXOPRSGPSWCN-HZPDHXFCSA-N 287.875 4.614 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1cscc1C 2277149021 OVZMSDCTLCVVQE-INIZCTEOSA-N 283.481 4.608 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC[C@@H]1CC 2277226499 GGHNRYHNVVQXLZ-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(CC)CCC 2278115012 MTDMPULLAYBQSS-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCCCCO 2278239423 MCSMWJZXZSWTBV-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)c1csc(C)c1C 2279157792 KNIFVKUMFAUULD-DLBZAZTESA-N 297.508 4.866 30 10 CJEE Cc1cc(NC[C@H](F)C2CCCCC2)cc(C)c1C#N 2280577489 UHGNWLYKWGHBFO-KRWDZBQOSA-N 274.383 4.505 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(F)c(Cl)cc1F 2284073721 TXUHITYTQJLJSS-OAHLLOKOSA-N 297.776 4.614 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(CC)s1 2284098782 LIDYTGBPLDWMGZ-INIZCTEOSA-N 289.488 4.957 30 10 CJEE CCCCN(CC=CC#CC(C)(C)C)c1ccccc1 2284127814 CHLUVJLVAMCNHO-UHFFFAOYSA-N 269.432 4.899 30 10 CJEE N#C[C@@H](CNc1cccc(C2CCCC2)c1)C1CCC1 2289271917 QAWHUVXALGAZSJ-KRWDZBQOSA-N 268.404 4.696 30 10 CJEE Cc1oc2ccccc2c1C(=O)CC#CC1CCCC1 2289905432 SDSBGGQZJDTRMP-UHFFFAOYSA-N 266.340 4.508 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2ccc(C#N)c(F)c2)C1 2290265416 RCOMRQNRPNAVTK-HNNXBMFYSA-N 274.383 4.714 30 10 CJEE CCCCCCC[C@@](CCC)(OCCC(=O)O)C(F)F 2290883049 ZNUYJBHONZWGRI-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE 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283.202 4.796 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(C)c1F 2319289946 ZVRGMBCHXLQPPI-AWEZNQCLSA-N 269.791 4.794 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1CCCC[C@@H]1C 2321135113 SMRXOBDICZDKAO-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC(C)(C)CC(F)(F)F 2321228012 JIYZINRJOXNNME-DGCLKSJQSA-N 266.347 4.708 30 10 CJEE CCCCCCC[C@](C)(N)C1CC2(CC(F)C2)C1 2321455715 MLQNTRBSVDKIIL-UFFJXHMVSA-N 255.421 4.593 30 10 CJEE SCC1(COCC2=CCCCC2)CCCCCC1 2327500923 AJBFXELWKSZTSZ-UHFFFAOYSA-N 268.466 4.774 30 10 CJEE CCCN(C[C@H](CS)CC(C)C)C1CCCCC1 2328533120 VGKZJKJHJORRPY-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE C=CCC(CC=C)OCC(=O)c1ccc(Cl)c(Cl)c1 2335190224 GUWHMBAZQCZQAJ-UHFFFAOYSA-N 299.197 4.714 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCC(F)(F)[C@H]1NCCC 2335195710 ZFWCWSPFNDRYIC-MJBXVCDLSA-N 291.451 4.630 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1c(F)cccc1Cl 2335204424 UAIWAMFZQLADDF-CQSZACIVSA-N 299.842 4.733 30 10 CJEE C=CCCCC[C@H](NCC)c1ccncc1C(C)C 2338609493 ACMRTCFTLIJXIZ-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ncccc1C(C)C 2340240292 CCFYBIYCAARPAF-INIZCTEOSA-N 260.425 4.602 30 10 CJEE Cc1c([C@H](O)[C@@]2(C#N)CC[C@@H](C)C2)ccc(Cl)c1Cl 2340530828 SOECIDTYEFLUST-NKZPBKNFSA-N 298.213 4.665 30 10 CJEE CCSc1cccc(N[C@@H]2CC(C)(C)[C@@H]2C)c1C#N 2340663923 UFUNIRKMBJRREK-BXUZGUMPSA-N 274.433 4.517 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccccc1C1CC1 2341695289 FQYVRUPKKCUSTN-RDTXWAMCSA-N 256.389 4.502 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC[C@@H]2CC[C@@H]2C2CC2)C1 2342382752 PVGATCWZGZMHML-SPUZQDLCSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)NC[C@H](c1ccccc1)C1CCCC1 2342470411 OHCYFWYOXFVTCZ-MAUKXSAKSA-N 257.421 4.515 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@]12CCC[C@@H]1CC2)NCCC 2344342239 IQXNXXYIOYYEKY-NUJGCVRESA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)c(F)c1)NC 2344350142 ZEBCGMLXTAIERM-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]1C1CCCCC1 2344461047 XDVANZIOMASTSW-XLAORIBOSA-N 264.453 4.946 30 10 CJEE 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OFRLJFQTCDZSHR-UHFFFAOYSA-N 299.446 4.776 30 10 CJEE CCc1ccc(OCC(C)(C)CS)c(C(C)(C)C)c1 94582378 PKMPHIHFKXCIOP-UHFFFAOYSA-N 280.477 4.881 30 10 CJEE CN(c1cccc(Cl)c1C#N)C1CCC(C)(C)CC1 94858975 XEHSRFNUUPNKAI-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(OCC(C)C)cc1C 107615695 LZUJHCOJWXOOSA-ZBFHGGJFSA-N 258.405 4.793 30 10 CJEE CC#CC[C@@H](C)c1c(OCC)cc(C)c(Cl)c1C 107623623 WOOCJGJLWFMDCV-LLVKDONJSA-N 264.796 4.872 30 10 CJEE CCCCCCCO[C@@H](c1cccc(C)c1)[C@H](N)CC 109987622 HOWUPJXFFYGXOV-MSOLQXFVSA-N 277.452 4.760 30 10 CJEE Cc1ccccc1N(C)c1ccc(C(F)(F)F)cc1C#N 110257537 XXBISZFJQVJSSV-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCCc1ccc(Oc2cccc(Cl)c2C#N)cc1 110263064 FFZBRHMXAOHGAW-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE N#Cc1cc(F)ccc1Oc1cccc2ccccc12 111037020 OEEWHVPAOUYICS-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](C)OCC 113370640 VPHKITQCPCBBKM-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](O)CSC1CCCC1 114867831 GDGUNAOFZZOGMG-CQSZACIVSA-N 258.471 4.774 30 10 CJEE CCCCCCCCC(=O)c1c(F)cc(OC)cc1F 115855383 RRPVSJZYJLYLHF-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE CCCCCCCC[C@H](O)C1(N(C)C)CCCCCC1 118186343 XXEPUMHJWRNDOW-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCCCCCCC[C@H](O)CN 118406454 UGVBFHUWZNNKIK-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE CCCCCCCCN1CCC[C@@H]1[C@@H]1CCCCC1=O 124829270 HSTVCWFFMPBCCU-DLBZAZTESA-N 279.468 4.571 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](CC)OCC 125005090 RQIMMTALZJNPMY-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCCNc1cc(C#N)ccc1Cl 125648978 RISRTSWJRNXZHV-UHFFFAOYSA-N 264.800 4.984 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC(C)(C)OC1(C)C 133251362 SWUTZSZOFFADSY-HOTGVXAUSA-N 283.500 4.919 30 10 CJEE CCCCCCCCCCNc1nc(NCC)ncc1F 157456269 YNICOOHLJJNHHA-UHFFFAOYSA-N 296.434 4.600 30 10 CJEE CCCCCCCC[C@H](N)CCc1ccc(OC)cc1 159040328 BNTZTXHOFGGTEK-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc2ccccc2c1 168119114 YWDVMNPAXCAMNB-LJQANCHMSA-N 265.400 4.684 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1Cl 169126120 OWNJRXVMCHRTRY-UWVGGRQHSA-N 258.192 4.609 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 184868961 XLWHOWHAFVAQPN-SECBINFHSA-N 272.175 4.534 30 10 CJEE N#C[C@H](C1CCCCC1)C12CC3CC(CC(C3)C1)C2 216525138 LHPHKNNUOVATIN-UFPBRMSXSA-N 257.421 4.923 30 10 CJEE CCCN[C@]1(C#N)CCC[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 225487656 ALDFYMMQMRFRRA-WCXIOVBPSA-N 294.508 4.503 30 10 CJEE CC(C)(C)c1ccc(Oc2cccc(C#N)c2)cc1 227633741 WBIJHZDUJVNULH-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCCc2cccnc21 229776273 LHKQQSYUFWKVML-MSOLQXFVSA-N 288.479 4.840 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](CN)C(C)C 230955852 GLMVMWGDRMRSBH-ROUUACIJSA-N 285.516 4.889 30 10 CJEE C=CCCCCC[C@@H](Cc1ccccc1Cl)NC 234427659 DROQUOXUAZRPIB-HNNXBMFYSA-N 265.828 4.607 30 10 CJEE C=CCCCCC[C@H](NC)[C@H](C)Oc1cccc(Cl)c1 234431432 CGTKBOPGSJVYSC-YOEHRIQHSA-N 295.854 4.832 30 10 CJEE Cc1occc1Sc1ccc(C(F)(F)F)c(C#N)c1 235854745 OFKRBOMAGDHCMR-UHFFFAOYSA-N 283.274 4.630 30 10 CJEE Cc1ccc(SCc2ccc(Cl)cc2)c(C#N)c1 235869678 OTVIRAPNYWCUIU-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE Cc1cccc(NCc2ccc(Cl)cc2Cl)c1C#N 235905380 CRWWUVXQCXTLPC-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(CC)NC[C@H]1C 250808578 GQGGUQRAAIKXBN-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCOc1ccc(N=Cc2ccccn2)cc1 252640015 YPMBRMBHEKNGOX-UHFFFAOYSA-N 282.387 4.791 30 10 CJEE CC1(C)CCC[C@H](c2ccccc2C2(C#N)CC2)C1 260677811 QANBXPASUNSOEE-AWEZNQCLSA-N 253.389 4.926 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(C)cc1 308053176 ICZXVHMPZILWDK-SJORKVTESA-N 271.404 4.634 30 10 CJEE CCOc1cc([C@@H](C#N)CC)ccc1OCc1ccccc1 309915477 NWZHPHSHTMWOCR-MRXNPFEDSA-N 295.382 4.681 30 10 CJEE C=C([C@H](C[C@H](C)CC(C)(C)C)NCC)C(F)(F)F 311037375 RMGQXELZXOHLAL-JQWIXIFHSA-N 265.363 4.545 30 10 CJEE CC1(C)CCC(COc2cccc(Cl)c2C#N)CC1 311482424 RMVJFSQUOIIFMU-UHFFFAOYSA-N 277.795 4.807 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@](C)(CNCCC)O1 312037351 UIKAKGUYQCFPNR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=C(CC)CN[C@H](C)c1oc2ccccc2c1CC 313491869 BIYKSKLMMIJXSJ-CYBMUJFWSA-N 257.377 4.612 30 10 CJEE CC(C)C1CCC(C=O)(CC2CCCCC2)CC1 317234043 MZHGDOHCAIIVDB-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cccc(Cl)c1F 384819668 DXDHISSUBUTWQL-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CSc2ccccc21 384910330 YJHOBHDOVCAMEL-CPUCHLNUSA-N 271.429 4.986 30 10 CJEE C=CCCCCCCN[C@@H](CCC(C)C)C1CC1 385053117 OJHCJMHVEBGHSR-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H](C)c1ccc(C)s1 387287819 PFENQIWOZFMZCG-JKSUJKDBSA-N 296.524 4.737 30 10 CJEE C=CCCCCCCNCc1ccc(C2CC2)cc1 388439583 XZXSOCOTRARUBS-UHFFFAOYSA-N 257.421 4.790 30 10 CJEE C[C@@]1(c2cc(Cl)ccc2Cl)CCC[C@H](CC#N)O1 394078240 FQOOSYAPQOQBQS-RISCZKNCSA-N 284.186 4.691 30 10 CJEE CC(C)(C)c1ccc(NC[C@H](C#N)C2CCCC2)cc1 397233970 WYZAEYSINKNJNY-HNNXBMFYSA-N 270.420 4.726 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C 405512716 LKYWVKCFGQTDQW-CQSZACIVSA-N 299.455 4.562 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](C)c1ccccc1 405687643 MCGORQNDOXBOJO-SJLPKXTDSA-N 276.468 4.763 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCC[C@@H](OC)C1 686368434 YDPPVOVKTRGQBI-HUUCEWRRSA-N 254.414 4.511 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H](C)SC1 689495171 RZQNOWLGVNQUDS-CHWSQXEVSA-N 279.474 4.661 30 10 CJEE CCSc1cccc(N=C2N[C@@H](CC)[C@H](CC)S2)c1 690080190 XMEQPRAJZMUHQW-KBPBESRZSA-N 294.489 4.680 30 10 CJEE CCCN[C@@H](C)c1cccc(S[C@H](C)CCC#N)c1 695910098 NEAXVSZHASFFKU-KGLIPLIRSA-N 276.449 4.532 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C)Oc1ccccc1 700690600 HYCGFUWEEFMKSN-RDJZCZTQSA-N 264.409 4.565 30 10 CJEE Cc1c(Cl)cccc1OCCCCCCS 702655991 VXVHMTTUMHKSHX-UHFFFAOYSA-N 258.814 4.517 30 10 CJEE CC(C)CCCCOc1ccc(C(F)(F)F)c(C#N)c1 703561627 LBYJMRJDCPPEFK-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 703722034 FLLCVLMOXPHLOU-AWEZNQCLSA-N 278.396 4.524 30 10 CJEE CCCCCCC/N=C1/NCC2(CCCCC2)CS1 703733003 IIKNNGGJOIUQKK-UHFFFAOYSA-N 282.497 4.600 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)[C@@]12CCCC[C@H]1C2 709200040 HVEWJBOGUYWGHV-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE C=CCCC(C)(C)CNc1nc(Cl)nc2ccccc12 709457203 RCTVCLNTXFJWDR-UHFFFAOYSA-N 289.810 4.688 30 10 CJEE CCCCCCCCC[C@@H](NN)C12CCC(CC1)CC2 710158005 IZYQFCQFVLPDIW-LXPRWKDFSA-N 280.500 4.929 30 10 CJEE C=C(Cl)C[C@H](NCC)C(CC)(CC)c1ccccc1 710476427 PLNBVGLNKZGZMP-INIZCTEOSA-N 279.855 4.865 30 10 CJEE C=C(Cl)CCC[C@@H](NCCC)c1ccccc1 710640831 JOWCLYVVHZYKRR-OAHLLOKOSA-N 251.801 4.650 30 10 CJEE CCCCCCC[C@]1(C)[C@H](NCCC)CCN1CCC 712248277 YBYSWVXYSDNHKH-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 715798658 WSIJLGVAMQIXGD-FJIDUMEYSA-N 265.485 4.887 30 10 CJEE C#CCCCCC[C@H](NC)c1cscc1C(F)(F)F 717194200 RSZJEMGSVKMAIG-ZDUSSCGKSA-N 289.366 4.611 30 10 CJEE CC[C@](C)(C#N)Cc1cccc(Cl)c1Br 719521081 SVCZHGWFLJJDFW-LBPRGKRZSA-N 286.600 4.585 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@@H]2CCC[C@H]2O1 720863373 FBOFLMZMYSKKMB-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CC(C)CCCCCC1(C#N)C[C@@H](C)O[C@H](C)C1 724229681 FPZUOKWFUHSRCH-HUUCEWRRSA-N 251.414 4.690 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(F)c(Cl)cc2F)CC1 724596459 LJUPFSHIBNMWLY-OAHLLOKOSA-N 285.765 4.755 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](CC)CC[C@@H]2C(=O)O)CC1 724598589 IIADBHCDFJUFLI-BPUTZDHNSA-N 264.409 4.650 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2CC(C3CC3)C2)CC1 724608077 SDYDMNSPRRAEFX-CTWPCTMYSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)C(C)(C)C(C)(C)C)CC1 724614669 BHINEXGUQQHYAZ-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE C[C@H]1CC[C@H](/N=C2/N[C@H](C3CCCCC3)CCS2)CC1 725089665 SQJNYQRNFIGGGA-BPUTZDHNSA-N 294.508 4.597 30 10 CJEE N#Cc1csc2cc(C(F)F)cc(OC(F)(F)F)c12 725291425 OUNKEGCILQKMSE-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=C[C@](C)(CC)C(=O)OC1CCC(C(C)(C)C)CC1 1124666010 BPBXLBXESBPFAM-MQBCKMQZSA-N 266.425 4.737 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 1125520626 HPKDGRXJNKWEKY-IBGZPJMESA-N 297.442 4.781 30 10 CJEE C=CC(C)(C)CC(=O)N(CCCC)[C@@H](C)CCCC 1129273793 NWPCSXUWJYJKHO-HNNXBMFYSA-N 267.457 4.796 30 10 CJEE C#CCCCCCCOc1c(C=O)ccc2ccccc12 1166227236 CBTSVZFAPIDTII-UHFFFAOYSA-N 280.367 4.615 30 10 CJEE C=CC(C)(C)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 1181819544 WWHGHGWMCHLDIH-GFCCVEGCSA-N 285.353 4.611 30 10 CJEE C#C[C@H](N[C@H](CC)C[C@@H](C)CC)c1ccc(Cl)cc1 1182152451 NNTCYGBYNIAWRA-XKQJLSEDSA-N 277.839 4.819 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc2cccnc2c1 1210056423 VVQZJNWNOJNCTK-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccc(CC)cc1)CC(C)C 1276999003 AJCSSCVBYCWRMS-UHFFFAOYSA-N 287.447 4.590 30 10 CJEE C=CCCCCSc1nnc(NC2CCCCC2)s1 1307260721 FQKUNQKQYNAQLC-UHFFFAOYSA-N 297.493 4.731 30 10 CJEE C=C(C)CCN[C@H](C)c1ccccc1OCc1ccccc1 1307611459 BOZZDTGSPCMVMI-QGZVFWFLSA-N 295.426 4.882 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H](C)CC[C@@H]1C 1308806145 NHGDLFSIIFZKNC-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCCC[C@@H]2CC)CCCCC1 1353109217 TWNXLDCTSXQLJZ-HOTGVXAUSA-N 277.452 4.598 30 10 CJEE C=C[C@H](CC)CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 1354120690 FZVMGLHSZGYCHT-DNVCBOLYSA-N 297.442 4.657 30 10 CJEE C=C[C@H](OC(=O)CSc1ccc(C)cc1)c1ccccc1 1437635569 BACTVVPSIUCRSC-KRWDZBQOSA-N 298.407 4.558 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCCc2ccc(Cl)cc2)C1 1461182121 SXTGRDPWLVWDRH-NVXWUHKLSA-N 277.839 4.607 30 10 CJEE C=C[C@H](CC(=O)NCC1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1461449594 AIDKZZUQUPRHLW-XYJFISCASA-N 299.458 4.535 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1C 1461527224 BZYGSAJMWZSACB-XJKSGUPXSA-N 291.822 4.513 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](CC)CCC(F)(F)F 1462335382 TZECJDUHXBMSEN-HOTGVXAUSA-N 299.380 4.885 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(CCCC)cc1 1464906073 KQKIFKJZTFNXKS-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(Cl)cc1 1465200887 AJGQYEOUDGNGBV-UHFFFAOYSA-N 280.799 4.598 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 1474515858 AGUCHLOPKDIHRM-GUDVDZBRSA-N 299.458 4.700 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc(CCC)c(C)s1 1522841774 MAEGLWCPGZDXET-UHFFFAOYSA-N 293.476 4.827 30 10 CJEE C=CC(C)(C)C(=O)OCc1ccc(-c2ccccc2)cc1 1529611800 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OAJPMFMFANAVDB-OAHLLOKOSA-N 278.415 4.706 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H]1CCCC2(CC2)C1 2289714136 SFKPYVMNIBQJEU-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CCC1CCCC1 2289875208 PMRGHPKEZLUZTO-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](NC[C@H](C#N)C2CCCC2)C1 2290338455 GFJSYSGKEJDQJL-HOTGVXAUSA-N 276.468 4.511 30 10 CJEE CCCCCCCCC[C@H](OCCC(=O)O)C1CCC1 2290581081 PUZFLOHMZKHQNF-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@](C)(OCCC(=O)O)C1CCCC1 2291756118 VTNKPPAAJPDCSO-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@]1(OCCC(=O)O)CCC[C@H](CC)CC1 2292697809 BJURACLLYZUEPZ-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)c1scc(C)c1C 2292722581 ZMZHKNLHPNRWPM-CQSZACIVSA-N 296.432 4.644 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)C1CC1)OCCCN 2292916000 MOCJCESVXLXAJG-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](C[C@@H]1[C@H]2CCCC[C@H]21)OCCN 2293019510 OZJSMHXGHGGMCA-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H]1C(C)C 2293371577 DIFONLQURHBTFN-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1CC1(F)F)OCCN 2294044356 JFEWSDLFOYALHG-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CC[C@@H]1C(C)C 2295527871 WHDBJNBGDQKPQU-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CC[C@](C#N)(NCCC)C1 2295710935 KOZWASARODWDNG-ULQDDVLXSA-N 296.524 4.750 30 10 CJEE CC(Nc1cccc(C)c1)=C1Sc2ccccc2C1=O 2295945889 PZBZESQYCUWCCU-UHFFFAOYSA-N 281.380 4.627 30 10 CJEE C=CC[C@@H](C)Sc1cc(C(F)(F)F)cc(Cl)n1 2298887442 AMFJBSWXQKUZJU-SSDOTTSWSA-N 281.730 4.811 30 10 CJEE C=CCC(CC=C)Sc1c(Cl)cccc1CNC 2313691932 JQTCBLBAOBBPQE-UHFFFAOYSA-N 281.852 4.672 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1[C@@H](C)NCC 2313693116 UPHWWYNNZBXVAN-NWDGAFQWSA-N 267.413 4.553 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1CNC 2313693647 YXYHLTAMPGIABA-UHFFFAOYSA-N 281.852 4.672 30 10 CJEE CCCCCCCCCC[C@@H](O)C#CC1CCC1 2315773378 DADOSDPCLPCOCP-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE C=C(C)CCCCNc1cc(F)ccc1C(F)F 2316407424 YEVNISXHTWGTDA-UHFFFAOYSA-N 257.299 4.922 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC[C@@H](C)C(F)F)C1 2316778286 VLKSRKQBXLQPNS-LPWJVIDDSA-N 275.408 4.729 30 10 CJEE C=C(C)C[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NCCC 2320251055 WVGHZEGTFGJTBO-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1C(C)(C)C1(C)C 2321099381 RHFSBIAVYOQTIL-RHSMWYFYSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CC[C@H](C)CC1)NCC 2321099438 RYIUYRQXZQFJLG-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H](C)CC(F)(F)F)NC 2321128235 QQSMHDQRBWKDCK-AVGNSLFASA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(CSC)cc1 2321222318 AXVCFUDFSVUETB-JKSUJKDBSA-N 264.434 4.575 30 10 CJEE CC(C)[C@@H](CC#N)C(=O)c1cc(F)c(Cl)cc1Cl 2325228313 BWHORVGVNQLSDI-MRVPVSSYSA-N 288.149 4.501 30 10 CJEE Cc1cccc(C)c1OC[C@@](C)(CS)C(C)(C)C 2327100202 OXJZAABHTLROJX-INIZCTEOSA-N 266.450 4.664 30 10 CJEE CC#CCCCC[C@@H](N)c1c(Cl)cc(C)cc1Cl 2327879367 JGZLPVWANCIMCX-CQSZACIVSA-N 284.230 4.885 30 10 CJEE Cc1ccc(C(=NOCc2ccc(Cl)cc2)C2CC2)cc1 2330296501 HKLLGKUFBFSUNV-UHFFFAOYSA-N 299.801 4.979 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]1C1CCCCC1 2332783558 CZUARNOITZVZHW-UBDQQSCGSA-N 262.437 4.988 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1ccc2ccccc2c1 2335103237 IUONJLCNJZARDF-DYVFJYSZSA-N 271.429 4.537 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)C(C)(C)C(F)(F)F 2335104246 XTFMKDZOFUMLEE-RYUDHWBXSA-N 297.430 4.641 30 10 CJEE CC(C)CC(CC(C)C)Oc1c(F)cccc1C#N 2335354869 AIFHWGQPOVBQSU-UHFFFAOYSA-N 263.356 4.537 30 10 CJEE CCCCCCCN(C)c1ccc(C)c(Cl)c1CN 2335574576 MCOCZWXYMNJUTH-UHFFFAOYSA-N 282.859 4.514 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CCC[C@H](C(C)(C)C)C1 2337073362 VOEGNVVDPYYYPA-MWDXBVQZSA-N 263.469 4.926 30 10 CJEE CC(=CC[C@]1(C#N)C[C@H](C)O[C@@H]1C)CCCC(C)C 2338442832 OPZREADZDPRZJT-GVDBMIGSSA-N 263.425 4.856 30 10 CJEE C=CCCCCCC[C@H](N)c1ccncc1C(C)C 2338608057 AODPWEVSLPNCHU-KRWDZBQOSA-N 260.425 4.731 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NC 2338659192 CTOJLHRWJKEMMN-DJIMGWMZSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(OC)OC)cc1 2338679542 YWWBAZWXQDYNCY-UHFFFAOYSA-N 278.417 4.591 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cnc(CCC)s1 2338748485 BPPVUWUQYQBTQW-MRXNPFEDSA-N 278.465 4.515 30 10 CJEE CC1=C(C)C(=O)[C@@H](Cc2ccc(F)c(C)c2Cl)CC1 2339205803 SRMCLZMJXRIPBD-CYBMUJFWSA-N 280.770 4.646 30 10 CJEE CC(C)c1cccnc1C(=O)C1=CCC(C)(C)CC1 2340336625 HHATVNJQEBJHDB-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(C(F)F)c1F 2344341867 FPZLKDSOKAHMIT-ZFWWWQNUSA-N 271.326 4.756 30 10 CJEE C=CCC(C)(C)[C@H](CC1C2(CC2)C12CC2)NCCC 2344357235 QFFVMGXLVSGNMB-HNNXBMFYSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1=CCC(F)(F)CC1 2344375268 MNFRRVKDBOEIPP-GJZGRUSLSA-N 271.395 4.703 30 10 CJEE C#CCCCCC[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354888905 VRFIHIQVBMCMJF-INDMIFKZSA-N 275.480 4.765 30 10 CJEE N#C[C@]1([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CCC2 2355390903 BSYRJOLFNHSBRO-FQLMCAECSA-N 279.374 4.922 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@@H]2CC[C@@H]21 2360138512 OBJZTQPBFSXMNS-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE COc1ccc2cc(/C(C)=N\Nc3ccccc3)ccc2c1 33599540 RFEBKKAUDBRGLP-ZHZULCJRSA-N 290.366 4.685 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 37305225 WVBLKQRSWQDHFU-ARFHVFGLSA-N 286.394 4.777 30 10 CJEE Cc1cccc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)c1 37347978 UXTAVGRQGPIUHB-SFHVURJKSA-N 277.367 4.609 30 10 CJEE CCCCCC[C@](C)(C#N)NC1CCCCCC1 37969978 NKDHILDQOGXGBI-MRXNPFEDSA-N 250.430 4.551 30 10 CJEE Cc1ccc2nc(S[C@H](CC#N)c3ccccc3)[nH]c2c1 61440270 AHBXNODVZPXLJT-MRXNPFEDSA-N 293.395 4.618 30 10 CJEE C=CCCOc1c([C@H](C)NC(C)C)ccc2ccccc12 71274421 GICMFEVAHITKJQ-HNNXBMFYSA-N 283.415 4.854 30 10 CJEE C=C(C)Cn1c([C@H](N)CCCC)nc2cc(C(C)C)ccc21 74297096 HEMCRGBAZJUWOO-MRXNPFEDSA-N 299.462 4.926 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccccc2Cl)C1 87972888 OMIDOADSKQICKV-BBRMVZONSA-N 261.796 4.993 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2Cc3ccccc3O2)CC1 90878496 YWSDWWROMUQRLF-RMXPPQQLSA-N 283.415 4.880 30 10 CJEE C[C@H]1CC(OCC2(CS)CCCCC2)C[C@H](C)C1 94585908 DJQZDJFWGUFORM-ZIAGYGMSSA-N 270.482 4.708 30 10 CJEE Cc1cc(C#N)ccc1Nc1cc(Cl)ccc1Cl 103995487 JTZJMYCCTBAYIP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C#C[C@@H](C)Cc1cc(C)cc(C(C)(C)C)c1OCC 107672816 CNRCMDPAFQCWFP-CYBMUJFWSA-N 258.405 4.503 30 10 CJEE CCCCCCCCCN1C[C@H](CC(C)C)NCC1(C)C 114349186 PPIMOMRQFOZNQX-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(N(C)C)cc1 114873584 KLFKUAXAJZMQIW-KRWDZBQOSA-N 263.425 4.537 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCc2ccccc2C1 116262832 JEDACASINVWVTL-MOPGFXCFSA-N 274.448 4.903 30 10 CJEE CCCCCCCC[C@H](O)c1cc(C)cc(F)c1 122597003 SPCIGIXEMSVOGC-INIZCTEOSA-N 252.373 4.918 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](CC)OCC 125170674 SXBZYVBJXICZFV-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@](O)(COC)C(C)C 127022684 SMTUXZVTHNTREJ-INIZCTEOSA-N 258.446 4.551 30 10 CJEE CC(C)c1ccc(Nc2c(F)cc(C#N)cc2F)cc1 127423507 RUWXLDQFGFWAPR-UHFFFAOYSA-N 272.298 4.703 30 10 CJEE CCCCCCCCCN1CCC[C@H]1C(=O)OC(C)(C)C 133748639 FBVHPAJRMBPBFF-INIZCTEOSA-N 297.483 4.543 30 10 CJEE CCCCCCCOc1cc([N+](=O)[O-])ccc1Cl 134205250 UUQQEDVQHGHFPO-UHFFFAOYSA-N 271.744 4.597 30 10 CJEE CCCCCCCCNC(=O)c1cc2ccccc2cc1O 138653658 ZEXOUWIPNHYOBO-UHFFFAOYSA-N 299.414 4.636 30 10 CJEE CC(C)(C)n1c([C@@H]2CCCCS2)nc2cc(C#N)ccc21 156299904 BPEFOFFUXNYICO-HNNXBMFYSA-N 299.443 4.621 30 10 CJEE CC1(C)CCC[C@@](O)(C2(C#N)CCCCCCC2)CC1 156824428 LILYPHFGKAVQRL-SFHVURJKSA-N 277.452 4.962 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CCC(C)(C)O2)CC1 161269882 NSKARFSLVROZIY-CKDBGZEDSA-N 263.425 4.690 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Nc2cccc(F)c2)s1 166123864 GLASIEDQOLYBAP-ZDUSSCGKSA-N 288.391 4.861 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCO[C@H]1C1CC1 166162336 IVRFWXVRZYTFJO-ROUUACIJSA-N 281.484 4.532 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CC 191513006 GYHYTWRGMCCREL-UHFFFAOYSA-N 288.435 4.849 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NC)c2ccc(F)cc2O1 229330400 FYESZBQKUMBQOV-ZBFHGGJFSA-N 279.399 4.598 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccc(F)c(C#N)c2)C1 230771289 HGLGBQXMGGKEQQ-UKRRQHHQSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCC[C@H](COCC(F)(F)F)NC 232358773 HHKFZVUUCIAEFC-CQSZACIVSA-N 297.405 4.684 30 10 CJEE CCCCCSc1cc(Br)cc(C#N)c1 233083899 RPLANBSAJBGSAY-UHFFFAOYSA-N 284.222 4.603 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(SCC)cc1 233868874 WAFUDCHPDUYFQC-INIZCTEOSA-N 263.450 4.935 30 10 CJEE C=CCCCCCOc1ccc(Br)c(F)c1 236146037 XDXJUQRXKYQZJA-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE CCC[C@@H](CS)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251137371 KQULQHNVXBUZNQ-IXYNUQLISA-N 270.482 4.564 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)c1ccccc1 251494432 DKGMNDHIVPXVME-PBHICJAKSA-N 298.817 4.640 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252997867 HKMRHHOCZQSVME-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE Cc1ccc(N=Cc2ccc(Sc3ccccn3)o2)cc1 254555080 UOSMHGOOCLEHEN-UHFFFAOYSA-N 294.379 4.885 30 10 CJEE CC(C)(C)c1nc2ccc(C3(C#N)CCC3)cc2s1 260432390 IVTUJPHYEZFWIK-UHFFFAOYSA-N 270.401 4.539 30 10 CJEE N#CC1(c2cccc3sc(C4CC4)nc23)CCCC1 260750461 ZQPLOHXGFIIMIJ-UHFFFAOYSA-N 268.385 4.509 30 10 CJEE CCCNC[C@H]1CCCCC[C@H]1CC#CC(C)(C)C 311335721 KVTRIDVTGDKCGQ-DLBZAZTESA-N 263.469 4.622 30 10 CJEE N#C[C@@]1(Nc2ccccc2F)CCCC12CCCCC2 313043232 RTMZMTQBHMIQAJ-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE Cc1cccc(N[C@H]2C[C@@H](C)c3ccccc32)c1C#N 313396016 SRHSPTSYRZRTAE-ACJLOTCBSA-N 262.356 4.527 30 10 CJEE CSc1ccc([C@@H](C)Nc2cccc(CC#N)c2)cc1 313428588 OQZCATXNEHACRH-CYBMUJFWSA-N 282.412 4.648 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](CO)C1CCCCC1 385275576 YKTZLFLWRQUPMG-MSOLQXFVSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@](C)(F)[C@@H]1CCCCN1 386135879 PQAPAGTUODEJEJ-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE C=C(C)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 386945838 WOFVEVJGJMFCRG-VIFPVBQESA-N 276.182 4.749 30 10 CJEE CCCC1CCC(C#N)([C@H]2CCCC[C@@H]2OC)CC1 389010664 WRRXUYDZEBFKIP-YZUHTNEWSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](CC)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 393737179 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10 CJEE C=CC[C@](C)(CC)C(=O)CC1(C)CC(C(F)(F)F)C1 2344418910 DOTCEQDVHOHMQQ-UBHUBRDASA-N 276.342 4.917 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cccc(-c2ccccc2)c1 2344462331 KWBZRUXWODPGAB-KDOFPFPSSA-N 252.357 4.599 30 10 CJEE CC(C)[C@@H]1CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352320102 PRIQYLZOTVAFOM-NVXWUHKLSA-N 285.541 4.727 30 10 CJEE CSc1cc(OCCCCCC2CC2)ccc1C#N 2353830005 IGVALYIMGCBNEC-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE C=CCC(CC=C)Sc1c(F)cccc1C[C@@H](N)CC 2360329639 GBWOQPABLWVJQA-AWEZNQCLSA-N 293.451 4.718 30 10 CJEE CSc1ccc(/C=C2\CC/C(=C/C(C)C)C2=O)cc1 34145371 JKYBLNBHSSPWMF-YCRUPXPOSA-N 272.413 4.737 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1cc(C#N)ccc1F 36854515 UGXMKRBWIIUSCC-RPVQJOFSSA-N 289.394 4.675 30 10 CJEE Cc1nn([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1Cl 50586674 OJIDOHPSAGPTSM-RDBSUJKOSA-N 293.842 4.680 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCOc2ccccc2C)c1 57695372 CWGBGQPABWMGFQ-KRWDZBQOSA-N 279.383 4.688 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N 59083240 IXNKHRWXLHHFJM-HRCADAONSA-N 269.473 4.516 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)C1 71125168 NVMZNQNNYROEDE-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE Cc1ccccc1Sc1nc2ccccc2cc1C#N 71390694 DBVHFTAOJVUKHY-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(F)(F)F)o2)cc1C 77085950 CABLLNYOPZQDHY-UHFFFAOYSA-N 279.261 4.648 30 10 CJEE Cc1sc(-c2ccc(Br)cc2)cc1CC#N 77093936 ZZDPWUCVQKRUPK-UHFFFAOYSA-N 292.201 4.552 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)C2CCCCCCC2)c1 86580135 QRBZEDZIZUXIJY-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE CCc1ccc(CC2(C#N)CCC(CC)CC2)s1 87933712 ZUTNZKMWKMTMTA-UHFFFAOYSA-N 261.434 4.963 30 10 CJEE CCCN[C@H](C)c1ccc(SCC2(CC#N)CC2)cc1 88257322 SDWSZEIUZVWLLE-CQSZACIVSA-N 288.460 4.533 30 10 CJEE C=CCCC[C@H](CSc1cccc(Cl)c1)NCC 90239263 JQRMZKQSTLMNBZ-CQSZACIVSA-N 283.868 4.767 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)cc2Cl)CCCCCC1 91880770 DNQBKOQMLKJCAJ-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cc(C)cc(C)c2)CC1 91883831 XBEULZHAGABKFJ-AVAKVYKDSA-N 285.431 4.837 30 10 CJEE CC1CCC([C@H](O)C2(C#N)CCC(C(C)C)CC2)CC1 91903899 GCKRSXPSHIMANP-LESVLKBLSA-N 277.452 4.530 30 10 CJEE CCC[C@@H](CS)CN(C)[C@@H](C)c1ccccc1Cl 94579685 XFNUPXHMFCSHTP-QWHCGFSZSA-N 285.884 4.679 30 10 CJEE CCC1(CC)CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 94802816 JYJSOLWNILJUGB-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CC(C)CC1(CN[C@H]2CCCCC[C@H]2C#N)CCCC1 94878628 GFISPFQRLAFKFW-IRXDYDNUSA-N 276.468 4.655 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1CCC(CC)CC1 97208867 CIHUVWPLNANNEW-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE SCCCCCCCCCOCc1ccccc1 97799694 DDBNKTFCLHLJNT-UHFFFAOYSA-N 266.450 4.864 30 10 CJEE C/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1 100220771 FSNVUIDWCYKPAV-YBFXNURJSA-N 263.262 4.846 30 10 CJEE CCOc1ccccc1N/C=C\C(=O)c1ccc(C)c(C)c1 103030593 VGVCXWLXAFIIPU-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE C#CC[C@H](CC)c1c(C)c(Cl)cc(C)c1OCC 107650343 DHZKIBNGXXTXKA-ZDUSSCGKSA-N 264.796 4.872 30 10 CJEE C[C@@H](CCNc1ccc(C#N)cc1Cl)c1ccccc1 110258373 CXRODMIHKXWZPX-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]2CC[C@@H]1C2 111613902 PMTUTZLBRSRRLX-ZACQAIPSSA-N 251.458 4.763 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@@H]1C1CC1 114060856 QECWZLPFFQCWFX-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1CCC 115213615 TYKJZTBKVYBQMX-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(F)c1F 115834752 QYYRLEGRLKARIE-AWEZNQCLSA-N 256.336 4.749 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1COc2ccccc2C1 115845520 UQDXOQBDUPOILV-MSOLQXFVSA-N 289.463 4.576 30 10 CJEE CCCCCCC[C@@H](O)CSc1cccc(F)c1 117397849 YHFAOVJFWSGJSY-CQSZACIVSA-N 270.413 4.639 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(N(C)C)CCC[C@H](C)C1 118184123 FIRUVAXVMNJZEA-BZSNNMDCSA-N 283.500 4.608 30 10 CJEE CCCCCCCC[C@H](NN)c1sccc1CC 122365746 OAGVDMBTUYWPPA-AWEZNQCLSA-N 268.470 4.566 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccnc2ccccc12 127700017 QVDYQHKLZRDHRD-QGZVFWFLSA-N 285.431 4.889 30 10 CJEE C=C(CC)CC(=O)c1cc2cccc(Br)c2o1 137339019 OHGNZOPNJJXRLG-UHFFFAOYSA-N 293.160 4.734 30 10 CJEE Cc1ccc2c(c1)[C@@H](Nc1ccc(Cl)c(C#N)c1)CC2 160781769 QSDQKUKSJYAJFQ-KRWDZBQOSA-N 282.774 4.620 30 10 CJEE CCCCCCCCNCc1ccc2c(c1)CCC2 160931136 SQGZQKLYKCLARO-UHFFFAOYSA-N 259.437 4.625 30 10 CJEE N#Cc1oc2ccccc2c1Oc1ccc(Cl)cc1C=O 161402093 CSRNHCHGYUCOLN-UHFFFAOYSA-N 297.697 4.563 30 10 CJEE C#CCCCCC(=O)Nc1c(CC=C)cccc1C(C)C 189896321 IRKKVFJDGHKUPT-UHFFFAOYSA-N 283.415 4.671 30 10 CJEE C/C=C\c1ccccc1OCC1(CS)CCCCC1 211659174 OJECFOAFXGAHRA-WAPJZHGLSA-N 276.445 4.979 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)c(F)c(Cl)c1 232025370 BGYZKTCSWMTLJA-MRVPVSSYSA-N 262.155 4.899 30 10 CJEE Cc1cc(C)c(C#N)c(NCCCCCCC(C)C)n1 232542911 FTQSMVBCVLSGSX-UHFFFAOYSA-N 273.424 4.589 30 10 CJEE CC(C)C(C)(C)CNc1ccc(C(F)(F)F)c(C#N)c1 232805296 DUMGJWCVTVCZBR-UHFFFAOYSA-N 284.325 4.671 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@@H]1CNCC(C)C 232950371 CZBOAQXUIGSUCK-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc2ccccc2n1 234447199 RTJPBFPDEPIMLC-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1F)c1ccc(Cl)cc1 235563108 XLMDALNBJNLPCN-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=CCCCCC[C@H](N)C12CC3CC(CC(C3)C1)C2 236300969 NJSDAKMTZJXSLD-LESVLKBLSA-N 261.453 4.667 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCN1 250804513 FDRPLJYIIDXHHQ-IPMKNSEASA-N 294.527 4.637 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(OCCCC#N)c2)C1 252163951 QFKGJQOHXFFCFP-QLPKVWCKSA-N 286.419 4.606 30 10 CJEE CCCCCN(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252437598 WPXNOVGHLQDBTN-YESZJQIVSA-N 278.484 4.853 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CCO[C@H]1C 252905967 SXGOVCQLUVTVNO-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCSc1cccc(N2CC[C@H](CC(C)C)C2)c1C#N 307776602 PTCPLWNKCQXDNK-CQSZACIVSA-N 288.460 4.543 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1csc(Cl)c1 307922509 HMTMZZMBNQGPLA-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE N#CC1(c2ccccc2OCc2ccccc2)CCCC1 309625361 CROLXFPBAZOXNX-UHFFFAOYSA-N 277.367 4.601 30 10 CJEE CC1(C[C@]2(C#N)CCCc3ccccc32)CCCC1 312085590 WJFGLBSGXNAHRZ-SFHVURJKSA-N 253.389 4.755 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](OC)c2ccccc2)C1 317393019 YRFPTTJCRFFNCT-KBAYOESNSA-N 274.404 4.550 30 10 CJEE C=CCC[C@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317900137 RXGDUDBGSFEFDW-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H](C)CC(C)(C)C 384506471 RJFUEXMDCQGQPZ-SJLPKXTDSA-N 284.532 4.821 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)cc1Cl 385044396 PAEPUEOSGHJGRW-JTQLQIEISA-N 272.219 4.856 30 10 CJEE CCCN[C@H](C)c1cccc(SCCCCCC#N)c1 385190854 CVARDQBFGRVEHB-OAHLLOKOSA-N 290.476 4.923 30 10 CJEE C=C(c1ccc([C@@H](CC)NCCC)cc1)C(F)(F)F 388269868 DGRPLRIPBAPDMK-CQSZACIVSA-N 271.326 4.713 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)CC1CCCCCC1 388944229 WGXHLFCQTOVBLW-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C=CCCC[C@H](C)n1c(S)nc2cc(C)c(C)cc21 398304666 LIOSIJSBSVRXEC-ZDUSSCGKSA-N 274.433 4.859 30 10 CJEE CC(C)[C@H](CS)CSc1nccc2ccccc12 401515615 OJUVDABGHBBPNM-CYBMUJFWSA-N 277.458 4.529 30 10 CJEE CCCCCCC[C@H](O)C[C@@H](C)CC(F)(F)F 402871614 ZJLNSPMHEUGJOU-NEPJUHHUSA-N 254.336 4.686 30 10 CJEE CC[C@@H](OCCCCCCS)c1ccccc1 403308506 QZJUEVYCSMALST-OAHLLOKOSA-N 252.423 4.645 30 10 CJEE C=CCC[C@H](C(=O)N1CC2(CCC2)C[C@@H]1C)c1ccccc1 432583173 GKPSWBDTSSQZCV-WMZOPIPTSA-N 297.442 4.528 30 10 CJEE CSc1c(C(F)(F)F)cc(F)cc1C(F)(F)F 575340295 XPHHMHJBTABJMJ-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1F 587916239 HDTRNCGVPHHLCN-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 686676000 LWWUMIWZYOJDFY-AEFFLSMTSA-N 264.453 4.928 30 10 CJEE CN(CCCCCCCCCS)C[C@]1(C)CC1(F)F 689204943 MQCQGOZEWDBHJT-AWEZNQCLSA-N 293.467 4.624 30 10 CJEE Cc1cccc(C#N)c1NCc1cc2cscc2s1 693916011 GERCLMBMOKKJGY-UHFFFAOYSA-N 284.409 4.755 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)[C@H](CC#N)c2ccccc2)CC1 697854705 HCYPUBKXFBXGBG-KBAYOESNSA-N 270.420 4.542 30 10 CJEE CCCCCC[C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 698813099 BJNGNSPJFQOCHJ-OAHLLOKOSA-N 296.455 4.742 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@]12COC[C@H]1C2 701859761 UNSSQCZPRWTSQJ-SQNIBIBYSA-N 282.468 4.695 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cc(F)c(C)cc1F 701883173 JZCBDGLLJVTPDY-GFCCVEGCSA-N 267.363 4.526 30 10 CJEE CN(CCCC(C)(C)C#N)Cc1cc2cscc2s1 703235184 WMSNCJWCVGNJOK-UHFFFAOYSA-N 292.473 4.725 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1C[C@H]2C[C@H]2C1 704610717 IPQPHEQLQUIZEX-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCC[C@H](C[C@H](C)C(F)(F)F)NN 705547955 DZDQJTXBEKXWKJ-UONOGXRCSA-N 296.421 4.938 30 10 CJEE C=CCCCCCCn1c(C2CC2)cc(C(=O)O)c1C 707060434 GBKIFVWHINDCCK-UHFFFAOYSA-N 275.392 4.509 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCC[C@@H](C)C1 710690248 TWTKQEXHXPADJB-HIFRSBDPSA-N 257.849 4.571 30 10 CJEE CCCCCCCC(=O)C[C@H]1CC(C)(C)OC1(C)C 711361219 WISREDJWAXCCOR-AWEZNQCLSA-N 268.441 4.900 30 10 CJEE CC1(C)CCC[C@@H](CC2(C=O)CCCCCCC2)O1 714381592 FZMCNSBRSTXTTD-HNNXBMFYSA-N 266.425 4.654 30 10 CJEE CC(C)C(C)(C)CSc1c(F)cc(C#N)cc1F 718784126 SXGVXKZKKGGPOA-UHFFFAOYSA-N 269.360 4.611 30 10 CJEE CCCCCCCCC[C@@]1(O)CCC[C@H](OC)CC1 718860260 OQGCYGMLZOOCFT-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(F)c(Cl)c2)CC1 724546296 XYDCYRZGLOZNBH-INIZCTEOSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@H](NC)c2sccc2CC)CC1 724548405 ANGGZKPVMWPRJX-HNNXBMFYSA-N 263.450 4.708 30 10 CJEE C=C1CCC(CC(=O)[C@@H](OCC)C2CCCCC2)CC1 724592387 LYVQBAYBAVHVCG-SFHVURJKSA-N 278.436 4.677 30 10 CJEE CCCCCCCCC(=O)CC1C[C@H](C)O[C@@H](C)C1 724866371 ZXXAYYIKGVCALX-GJZGRUSLSA-N 268.441 4.900 30 10 CJEE CC[C@H](CC1CC1)/N=C1/N[C@@H](C2CCCCC2)CCS1 725106380 UOINPALYWPVTCB-HZPDHXFCSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1 1131361019 AFEXARASAKMSRG-IAGOWNOFSA-N 299.458 4.728 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C)c3c2CCC3)c1 1134838066 KRGKOEUCLVNQCV-UHFFFAOYSA-N 291.394 4.769 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1cc(C)ccc1C 1150579235 RGYKWCFIPDWYMW-WMZOPIPTSA-N 285.431 4.569 30 10 CJEE C=CCCC(C)(C)NCc1ccc(OCC=C)c(Cl)c1 1179232659 LVVXAWVDYRLRCC-UHFFFAOYSA-N 293.838 4.739 30 10 CJEE C=C(C)CCN(Cc1ccc(C)cc1C)CC(C)C 1195414010 UOXJQRWDTGDOPY-UHFFFAOYSA-N 259.437 4.728 30 10 CJEE C#CCN(C[C@@H]1CCCC[C@H]1C)[C@H]1CCCc2ccccc21 1198105245 WLXGYRJJSNIBEE-LMNJBCLMSA-N 295.470 4.826 30 10 CJEE CCCCCCCCCN1CCC(F)(C2CC2)CC1 1198389492 UZGYCBXIKWFJJI-UHFFFAOYSA-N 269.448 4.951 30 10 CJEE C=CCC[C@H](NCc1cc2cccnc2o1)c1ccccc1 1201557451 ITTOLGIWBSETAE-SFHVURJKSA-N 292.382 4.625 30 10 CJEE C=CCN(C(=O)c1cccc(-c2cccc(C)c2)c1)C(C)C 1264407449 HYXXCPIXBHJTBY-UHFFFAOYSA-N 293.410 4.699 30 10 CJEE N#Cc1ccccc1CSc1cc(Cl)ccc1F 1307340816 FLDXSCOLLAKTBM-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)c1ccccc1)c1ccccc1 1349932947 WHBSIEFKAXHTRJ-LJQANCHMSA-N 293.410 4.790 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H](C=C)CC 1351335382 BNLSAUUIPLGJOX-GFCCVEGCSA-N 297.851 4.518 30 10 CJEE C=CC[C@@H]1CCN(C(=O)c2coc3ccc(C(C)C)cc23)C1 1437964246 UPQKJAGGOPBJSX-CQSZACIVSA-N 297.398 4.594 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C=C(/C)c1ccccc1C 1454584357 RHWWSYQKKVKUOD-SSZFMOIBSA-N 285.431 4.507 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](C)CCC(C)(C)C)c1ccccc1 1456559043 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2142447175 RZPXURZJYZGYFX-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CC(C)(C#N)CCCCN(CC(F)(F)F)C1CCCC1 2143454070 PCVBGNFMXZGWFW-UHFFFAOYSA-N 290.373 4.513 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](O)CCCC(C)C 2147736090 RLCNSANMPLQZCF-ROUUACIJSA-N 283.500 4.678 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](O)c1sccc1C 2147738973 JYIPBWXTWOLYLC-JKSUJKDBSA-N 295.492 4.595 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](O)CCC1CCCCC1 2148586893 KGEOCEHGPQDUIN-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)cc1C 2148591467 PIGAMGONABBJNY-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE CN[C@H](C)c1cccc(SCC#CC2CCCCC2)c1 2149851667 WLWWBNNYOGOUPU-OAHLLOKOSA-N 287.472 4.643 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@]3(C2)CC3(F)F)c(Cl)c1 2156173913 NBPXLPAWAGLUIR-RISCZKNCSA-N 296.748 4.592 30 10 CJEE C[C@@H](N=C1N[C@H](C)C(C)(C)CS1)C1CCC(C)(C)CC1 2158440239 PDBIHDYQKBHSNQ-CHWSQXEVSA-N 296.524 4.698 30 10 CJEE C=C1C[C@@H]1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2158687286 RCWZUUOVFRVMNK-MRVPVSSYSA-N 295.226 4.712 30 10 CJEE 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CCCCCCC[C@H](NCC)[C@@H]1CCOCC12CCC2 2189748631 NKTHGJJWCFIVRB-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE CCCC1CCC(CNc2ccc(C#N)c(C)c2)CC1 2192855563 HUXFPWAFLXZBGM-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cc(C(C)(F)F)on1 2192915401 ABILXFMNLICAJV-GFCCVEGCSA-N 286.366 4.573 30 10 CJEE CCC[C@H]1CC[C@H](CN(CCC#N)[C@@H](C)C2CC2)CC1 2193061657 SOSZKILNGHRFSA-ULQDDVLXSA-N 276.468 4.607 30 10 CJEE CCCCCCCC[C@@H](NCCC)C12CC(C1)[C@H](C)O2 2193088803 VZNBJFBGOVFMFM-PBHCIXSXSA-N 281.484 4.673 30 10 CJEE CCC1CCC(Cn2ccc3cc(C#N)ccc32)CC1 2193141420 RMVHQOAIHPCSOK-UHFFFAOYSA-N 266.388 4.729 30 10 CJEE CCCCCCCCCN(C)Cc1nccn1C(C)C 2195537797 UURASODLWDGNSX-UHFFFAOYSA-N 279.472 4.646 30 10 CJEE C#CC[C@@H](CN[C@@H]1CCCC2(CCCCC2)C1)C1CC1 2196815048 WSYLFPSQCJVDSI-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCCN(c1cc(C#N)cc(Cl)n1)C1CCCCC1 2197150886 XQRBZHXZIGYMQU-UHFFFAOYSA-N 291.826 4.546 30 10 CJEE C=CCCCCCCN[C@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2197440164 LPQJGMBMQVWIJJ-CWBGTKBPSA-N 275.480 4.927 30 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VJFLSXPLSDAZIQ-JSGCOSHPSA-N 293.501 4.703 30 10 CJEE CCCCCCCCCO[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C 2230976166 FXLASSGZKDGTAH-VVLHAWIVSA-N 269.473 4.516 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](C)CNC1CC1 2230992412 MMFYPTATZXBLBS-CVEARBPZSA-N 269.473 4.530 30 10 CJEE C=C[C@H](CC)OCCC(CC)(CC)CN[C@@H](C)CC 2231021522 GYWAQSYLLLHFQP-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCOc1c(N)cncc1Cl 2231025811 OIOMWAPKMUGCOQ-UHFFFAOYSA-N 284.831 4.837 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2ccsc12 2231040362 PQNVIHMOKORTOX-SNVBAGLBSA-N 296.823 4.858 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCCC(F)(F)C(F)(F)F 2231783713 QLWBHJNBRORVLD-WDEREUQCSA-N 286.284 4.750 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](OC)C1CCC1 2231928091 IZQSVXGCNFJKGP-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CO[C@H](CCC)C1 2231946037 LYCCHNFKDVEYHH-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CC(C)(C)C#CC(=O)c1ccccc1-c1ccccc1 2233868339 BHJARGZLCNPDOC-UHFFFAOYSA-N 262.352 4.586 30 10 CJEE 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4.625 30 10 CJEE CC1(C)CCC[C@H]([C@H](O)C#Cc2ccc(Cl)cc2)CC1 2239567793 HFNKUIHECMTBSC-DOTOQJQBSA-N 290.834 4.659 30 10 CJEE CCCCCCC[C@@H](CN[C@H](C)CC)C1CCOCC1 2240114298 RUYBSKOYUSOYLJ-AEFFLSMTSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@](C)(O)[C@]1(C#N)CCCC12CC2 2240576396 YXWKSGMYJOWGDE-FUHWJXTLSA-N 277.452 4.962 30 10 CJEE CCC(F)(F)CCSCC(CC)(CC)CS 2243619257 BCKRYSMCBJEVQF-UHFFFAOYSA-N 270.454 4.891 30 10 CJEE CC[C@H]1CCC[C@@H](OCCCCCCCS)C1 2252622887 LKNISTMZEXVCBW-LSDHHAIUSA-N 258.471 4.852 30 10 CJEE C=C[C@](C)(CC[C@@H]1CCC[C@@H](C)C1)CNC(C)C 2253927740 CSNXUSILCOPOIO-IXDOHACOSA-N 251.458 4.783 30 10 CJEE N#CC1(CSCC2CC3(CCC3)C2)CCCCC1 2256507176 IARTVAJNIOCYRR-UHFFFAOYSA-N 263.450 4.774 30 10 CJEE C=CCCCSc1cc(Cl)ccc1CNCCC 2259062182 UWKJSPYLWNWAKQ-UHFFFAOYSA-N 283.868 4.898 30 10 CJEE FC(F)(F)C1CC(CSCC2(CS)CCCC2)C1 2259111197 DYJWGAGEUIHODS-UHFFFAOYSA-N 298.439 4.798 30 10 CJEE CCCCCCCCOc1cc(Cl)sc1CNC 2259968131 VEJBATPBVMVOPR-UHFFFAOYSA-N 289.872 4.860 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(C(F)(F)F)s1 2263428710 CSQXTUJYDQLSMK-SNVBAGLBSA-N 277.355 4.774 30 10 CJEE CC1(CC2(C=O)CCCCCCC2)CC(F)(F)C1 2263657514 MTOAIBHGWYSSPQ-UHFFFAOYSA-N 258.352 4.742 30 10 CJEE CCCCCCCCC[C@](C)(N)c1csc(C)n1 2263662674 UUFVXZCEQWQZRK-HNNXBMFYSA-N 268.470 4.766 30 10 CJEE C=CC[C@@H]1CCCN(CC[C@@H]2CCCCC23CC3)C1 2264936004 DUZJKCSOVSMIPG-SJORKVTESA-N 261.453 4.635 30 10 CJEE C=CCCCCCCN1CCC[C@]12C[C@H]1CC[C@H]2C1 2266317626 JFAQRGANKINKCK-OKZBNKHCSA-N 261.453 4.778 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(OC)ccc1Cl 2268105364 JUKWOWFTGQINMK-BLLLJJGKSA-N 281.827 4.602 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cscc1C(F)F 2268762165 QOVXTQCMYWJELH-UHFFFAOYSA-N 282.355 4.864 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC)c(C)c1C 2269174823 DRHBRSDQWZSKKK-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE NCCCCCCCCCC(=O)C=C1CCCCC1 2269454218 XTYZOLHUYAXSBU-UHFFFAOYSA-N 265.441 4.526 30 10 CJEE C#CC[C@H](C[C@@H](O)c1cc(Cl)c(Cl)cc1C)C1CC1 2270977306 WYKWMFQYGAMUJD-MLGOLLRUSA-N 297.225 4.775 30 10 CJEE C=C(C)CCCCN(C)[C@H]1CCC[C@@H](P(C)(C)=O)C1 2271838400 FWOZPZHJLGVVRH-JKSUJKDBSA-N 285.412 4.599 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)C#CC2CCCCC2)CC1 2274039698 NYIBFZIHXHDJAI-JCNLHEQBSA-N 260.421 4.746 30 10 CJEE CCCCCCC[C@@H](CC1=CCCC1)OCCCN 2276219679 BYAFYZPPVRJMIF-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CC1(C)C 2276311334 VZBSADJJPLBAFX-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC[C@@H]1C 2276757127 XSXAWLFKZHXBGZ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@]1(OCCN)CC(C)(C)C[C@H]1C 2276761537 LLRMTMGEUNKFAG-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1sc(C(F)(F)F)cc1C 2277877439 QHWIYQKWCKMSQC-CABZTGNLSA-N 291.382 4.938 30 10 CJEE CCCCCC#CC[C@@H](NC)C1(C)CC(C(F)(F)F)C1 2279319474 PRIOHZKQQHMCOZ-SHARSMKWSA-N 289.385 4.527 30 10 CJEE C#CCN(CC[C@@H]1CCCCC12CC2)C1CCCCC1 2279737551 AJKRIPLOXOJMAF-KRWDZBQOSA-N 273.464 4.615 30 10 CJEE Cc1cc(NCCC(C)(C)C(F)(F)F)cc(C)c1C#N 2280571388 ALJIYBFSWJTPOF-UHFFFAOYSA-N 284.325 4.566 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(C)ccc1Cl 2283376840 YXIJFQUFADZFEF-SJORKVTESA-N 297.870 4.760 30 10 CJEE CCCCCCCCCNc1cc(C#N)ccc1OC 2284078265 XAJOYQGLCJILHD-UHFFFAOYSA-N 274.408 4.729 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)cc1C 2284099203 QETSCAQMTDNGBE-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cc(Cl)c(F)cc1F 2284112152 LQQBESKBWTZVEY-UHFFFAOYSA-N 296.744 4.797 30 10 CJEE Cc1cc(C)c([C@H](O)CC=CC#CC(C)(C)C)c(C)c1 2284180372 ULWVYAVRDRCGAS-QGZVFWFLSA-N 270.416 4.641 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccc(F)c(F)c1 2287073780 YGTGMILXMAQXOZ-MRXNPFEDSA-N 299.430 4.705 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCC2(CCCCC2)C1 2287370783 VRYIRDUORBSIDS-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=C(C)CCCCOc1cccc([C@@H](CC)NCC)c1 2287414307 OTMPGUJOBXLXGQ-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CC[C@@H]1NC(=Nc2cccc(C3CCCC3)c2)S[C@H]1C 2289182633 RKJHEAHPBVPORP-LRDDRELGSA-N 288.460 4.835 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1ccc(C)c(F)c1F 2289723271 IEDUVGHKFMPDMC-QGZVFWFLSA-N 284.390 4.927 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(C)ccc1C 2289773378 VMDQNQBVORVKQS-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)ccc1C 2289788269 QYJNKBFRPCIRJN-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(C)c(F)c2F)C1 2289813561 WBMFVRCVKSQVNA-SUMWQHHRSA-N 277.358 4.926 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@]12CCCC[C@H]1C2 2289866463 JJNINJKEHALJBH-IPMKNSEASA-N 273.464 4.519 30 10 CJEE C=CCC[C@@H](C)[C@H](Cc1cccc(C(C)(C)C)c1)NC 2290290063 AVAKBACBNUETGK-QAPCUYQASA-N 273.464 4.717 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C=CCC1)OCC(=O)O 2291120769 QQAWSFYYGUYHLD-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@](C)(OCC(=O)O)c1cccs1 2291304472 CXVSLHXCVLMQJN-MRXNPFEDSA-N 296.432 4.591 30 10 CJEE C=CCCCCCCC1(OCCC(=O)O)CC(CC)C1 2292426240 ICCAZZJVVKPQOI-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)c1cccc(Cl)c1 2292433408 KMEYZDWMQRHIKX-HNNXBMFYSA-N 296.794 4.619 30 10 CJEE CCCCCCC[C@](C)(CC1[C@@H]2CCC[C@@H]12)OCCN 2292993785 KEERNGBYSOSKJI-JFIYKMOQSA-N 281.484 4.517 30 10 CJEE C=C(CC)CC1(OCCCN)CCC(C(C)(C)C)CC1 2293053047 XTHXDPGABRYSBH-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@@]1(C)CC1(F)F)OCCN 2293081500 GZTUCBUXWJCVJC-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc2ccc(Cl)cc2n1 2294966476 HXXSOKSOEOGYBF-YVEFUNNKSA-N 288.822 4.751 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)C(C)C 2295679728 RZFDXLAJTZFXBR-SQNIBIBYSA-N 285.516 4.758 30 10 CJEE C#C[C@H](c1ccccc1)[S@@](=N)(=O)C[C@H](CC)CCCC 2295698562 CIVSBLORUUALMN-MDYRTPRTSA-N 291.460 4.624 30 10 CJEE CCCC[C@H](CC)C[S@](=O)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 2295765845 HSQCHFLCDAICOE-WNSDDWSPSA-N 297.508 4.670 30 10 CJEE COc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1 2297317820 QUCMFZOJKRASJO-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE CCN[C@@H](C#CC1CCC1)c1scc(Cl)c1Cl 2300406383 RKKVOTYNNFLIIQ-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc2sccc2s1 2302845517 IYWPZQRWZHDACV-IINYFYTJSA-N 263.431 4.580 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]12C[C@H]1[C@H](C)C2 2308834076 AHPWCPABQYKNBR-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1C[C@@]1(C)C(F)(F)F 2309037472 FGTLKCSWSQXAGU-YNEHKIRRSA-N 265.363 4.653 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313170337 KQIIJMFJTDNMEU-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CCCCCCCn1nc(C(F)F)cc1C(F)F 2319716986 ISIDUOXNMJHTDO-UHFFFAOYSA-N 266.282 4.729 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CCC[C@H](C)C1 2321095589 KEOFQWXTNZJFPD-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1sccc1C1CC1 2321116334 IXBZBBAOEPWKQU-OAHLLOKOSA-N 263.450 4.878 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329795311 XEIQQYWJOHGPPJ-XPABHHOTSA-N 267.363 4.778 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1CCO[C@@H]1C 2330821555 LDOHPXSQOVANCA-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C=CCCCCCCCCNC[C@H]1CC[C@@H]2C[C@@H]2C1 2333365572 PMDXUSBQLLVGSE-KSZLIROESA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)S[C@H]1CC(C)(C)CC[C@H]1NCC 2335095458 BJWGXLGAHCESQX-CVEARBPZSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc2ccccc2c1 2335103236 IUONJLCNJZARDF-CXAGYDPISA-N 271.429 4.537 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1CNCC(C)C 2335238494 NLTBJQIYQNQICG-ZDUSSCGKSA-N 281.440 4.628 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338738158 KIRHVCNRDOODGH-FJIDUMEYSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@]1(C)CCCC1(F)F 2338748050 WHPDDMQBQCDREJ-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE CCCCCCCCCC[C@@H](O)C#C[C@@H]1CC1(C)C 2339567823 MWINWEAINDZRLN-IAGOWNOFSA-N 264.453 4.928 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CC[C@H]2C(C)(C)C)CC1 2343140981 DAPOZGYBNIUBHQ-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC(C)=C(C)C1)NN 2343436455 GOSYLNRJMZBYTG-IRXDYDNUSA-N 266.473 4.705 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(C)c(C(F)(F)F)c1 2344470383 YQAUNFMDMBJBQO-ZDUSSCGKSA-N 272.310 4.650 30 10 CJEE C=C[C@@H](C)C[C@@H](CCC1(C(F)(F)F)CC1)NCCC 2344766324 YVQTUJWLHXCIQL-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=C1CC(CC[C@@H]2CCC(C)(C)C2)(CNCCC)C1 2344864521 WWMDDNHDJIKWBU-INIZCTEOSA-N 263.469 4.929 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)CC2(CS)CC(C)(C)C2)CC1 2345011005 PQXHNRZHWADBGA-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE C=CCCCCCC[C@H](N)c1c(F)cc(O)cc1Cl 2351681401 HCSXVMPTZBWJBP-AWEZNQCLSA-N 285.790 4.711 30 10 CJEE CC(C)C[C@H](CS)COC[C@H]1C[C@H]2CCC[C@H]1CC2 2353833651 GRVATCWYCQPYHY-LUKYLMHMSA-N 284.509 4.812 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NN 2358323210 GNUSZUIHFMELTD-SQNIBIBYSA-N 280.500 4.951 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C#N)cc1 21017309 QZVCCOOHXNFOJP-WBAXXEDZSA-N 271.404 4.536 30 10 CJEE CCCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37156133 LPXISHODBVGQRW-XHSDSOJGSA-N 259.418 4.606 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)c1csc2ccccc12 42891305 NSCZCCVADJCXTQ-OAHLLOKOSA-N 291.375 4.700 30 10 CJEE CCCCCCCCCn1ccc2cc(N)ccc21 59212210 LFMRKSZQJRRYCB-UHFFFAOYSA-N 258.409 4.974 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 59434581 HYDZCPSGMSALPU-JKSUJKDBSA-N 272.436 4.958 30 10 CJEE CCCCCCCCCCCCNC(=O)NCCC 59895002 ZQKOOXZRBAALBQ-UHFFFAOYSA-N 270.461 4.617 30 10 CJEE CCCc1c(C#N)oc2c(Cl)cc(Cl)cc12 71126148 MCAWCPQLWLHOAP-UHFFFAOYSA-N 254.116 4.564 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc2ccccc12 71277126 JNVMXKHSBMKCBW-GOSISDBHSA-N 253.389 4.847 30 10 CJEE COc1cc(C)c(CCCCS)cc1C(C)(C)C 71598691 MWJOMUZZGXJQMX-UHFFFAOYSA-N 266.450 4.554 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)C1(C#N)CCCCCC1 91875736 XKDNEQJBSVGTRY-NUJGCVRESA-N 277.452 4.674 30 10 CJEE C=C(C)C[C@@H](NCCC)C1CCC(CCC)CC1 92129825 MGFQPXHKVDEPKL-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CC(C)(C)[C@H](CS)COc1cccc2ccccc12 94583008 ZIBJWCVOGXBOBD-AWEZNQCLSA-N 274.429 4.811 30 10 CJEE COc1ccc(C(=O)/C=C(/C)Nc2ccc(C)c(C)c2)cc1 104725707 RWVFITHZLQAXPP-QINSGFPZSA-N 295.382 4.511 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)cc(F)c1 109729877 QVEHGBYVGPIWGQ-OAHLLOKOSA-N 255.352 4.715 30 10 CJEE CCCCCCCCOC1(CNC)CCCCCC1 110070211 YSHBCSFVANKNJJ-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCn1cc([C@@H](C)NCCC)cn1 110267881 QTNXWCJQLGZDNA-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H]2CC[C@@H]1O2 112311601 AKIVHJGMUMASBH-UXLLHSPISA-N 266.425 4.654 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@H]1CCC 114349275 ZOHVQBXAFUVJIG-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](O)C1(N2CCCC2)CCCC1 118176770 ZSOLHUHYSHWQGL-QGZVFWFLSA-N 281.484 4.507 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H](CC)c1ccccc1 122406831 JMCNGKGPYQTOLM-ROUUACIJSA-N 276.468 4.763 30 10 CJEE CC(C)CC[C@@H](C)Nc1cc(Br)ccc1C#N 123284352 OVDORPPURPMIOB-LLVKDONJSA-N 295.224 4.557 30 10 CJEE CC1(C)CCC(C#N)(C2(O)CCC3(CCCC3)CC2)CC1 130475354 BBTDYXKBUQQDRT-UHFFFAOYSA-N 289.463 4.962 30 10 CJEE CC#CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 133188079 DTFNUNJMUGHHAO-RCCFBDPRSA-N 277.496 4.724 30 10 CJEE CCCCCCCCCC1(CNCCOC)C[C@@H]2C[C@@H]2C1 156878681 NVIVNFBGAYIKDA-DFNIBXOVSA-N 295.511 4.779 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(F)(F)F 157883653 GBSSLIVCRASONT-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCC(=O)c1ccc(Cl)c(N)c1 157921654 AIDRXRGRSHFVDZ-UHFFFAOYSA-N 267.800 4.856 30 10 CJEE C=C[C@](C)(CCCCCCCCC)C(=O)OCC 158334006 SDRVUWSCGSIMEV-MRXNPFEDSA-N 254.414 4.883 30 10 CJEE CCCCCCCC[C@H](NC)c1sccc1OC 158988507 CCQYTOAUSUVPHQ-ZDUSSCGKSA-N 269.454 4.768 30 10 CJEE CCCCCCC[C@@H](NC)C1(OC)CCC(C)CC1 159886898 CHHXIWWWLCIHMD-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE CCCCCCCCNc1cc(Cl)ccc1C(N)=S 161000119 WZNRMAOZDAGTOY-UHFFFAOYSA-N 298.883 4.747 30 10 CJEE CCCCCCCCCC[C@H](N)[C@](C)(CC)OC 163392948 VNBGVDBQLYZSDE-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCOc1ccc(C(F)(F)F)c(CN)c1 164078754 RQMZGMCYYSOSMW-UHFFFAOYSA-N 289.341 4.513 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCO[C@@H]1C1CC1 166292467 SIPWRWUJNIRFIG-QZTJIDSGSA-N 281.484 4.530 30 10 CJEE C[C@H](C#N)[C@H]1CCCCC[C@H]1c1ccc(N(C)C)cc1 251040746 OFLWFTNDVSBUID-OLMNPRSZSA-N 270.420 4.576 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1Cl 252423739 BETNFRSONBTPDL-VNHYZAJKSA-N 288.822 4.982 30 10 CJEE Cc1cc(Cl)ccc1N[C@@H]1CCCCC[C@@H]1C#N 305982815 MMPKMUSKBQGAIK-IUODEOHRSA-N 262.784 4.533 30 10 CJEE O=C1C=C(c2c(Cl)cccc2Br)CCCC1 309131445 FOWADVLKXFLYNF-UHFFFAOYSA-N 299.595 4.629 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2cc(Cl)cc(Cl)c2)O1 310420409 QMNCQIPZQIABOP-OLZOCXBDSA-N 270.159 4.517 30 10 CJEE CCCCCCCCC[C@H](N)C(C1CC1)C1CC1 310712846 DIESEMGWFBAGPY-INIZCTEOSA-N 251.458 4.891 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cc(Cl)ccc2Cl)O1 311151709 NHOZZVRMBYCWFL-UONOGXRCSA-N 284.186 4.691 30 10 CJEE C=CCCCCCCN[C@H](CC)Cc1ccccc1 311961845 LNYGFMNACLOUJZ-GOSISDBHSA-N 259.437 4.734 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1c(F)cccc1Cl 313665844 MGSUUUJFENURTR-NSHDSACASA-N 288.753 4.718 30 10 CJEE C[C@H]1CC(C2(C=O)CCCCCCC2)C[C@H](C)C1 316812294 OJWOLSXUPOBBMD-HUUCEWRRSA-N 250.426 4.988 30 10 CJEE C=C[C@H](C)[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317774339 CXMYBVRJGRNZHU-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C[C@H](C1CC1)N(Cc1ccccc1)[C@H]1CCCCC[C@H]1C#N 385960224 XEYKGBYHSAUIFT-UXPWSPDFSA-N 296.458 4.760 30 10 CJEE Fc1ccc(C(F)(F)F)cc1OCCCCCCS 396348534 FKARLDDLGVKNHX-UHFFFAOYSA-N 296.329 4.714 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccc(C)nn1 396963271 VJWKPAZXGGWHHV-INIZCTEOSA-N 277.456 4.576 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 398076496 OWDWJWZGBZPSON-HZPDHXFCSA-N 275.436 4.869 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@H](C)C[C@@H]1CC 399794917 RUDBBAYHKPHXBF-FGTMMUONSA-N 282.516 4.575 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@@H]1CCCCC1(F)F 400524634 QHABMPXVMPMFMT-LSDHHAIUSA-N 273.411 4.640 30 10 CJEE CCCCCCC[C@H](C[C@H](CC)CC(F)(F)F)NN 402476050 LVIDCYLJSUPKIW-QWHCGFSZSA-N 282.394 4.548 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@H](C2CC2)N1 407353992 NJCYABLXLFKFLQ-SJORKVTESA-N 279.468 4.617 30 10 CJEE CCCCCCC[C@@H](NCCC)C1CCC(OC)CC1 686355139 YNHUOQUGHMBHLN-DAWZGUTISA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H](C)O[C@H]1C 686433046 MHPPZKBLKMPPSM-TWMKSMIVSA-N 270.457 4.692 30 10 CJEE C#CCCCCCC(=O)c1ccc(SCC)cc1 686699636 GOBKKCHZLGKQSB-UHFFFAOYSA-N 260.402 4.565 30 10 CJEE CC(C)(C)C#CCC1(C=O)CC(C)(C)CC(C)(C)C1 687988891 YEDYMSMOSAAERF-UHFFFAOYSA-N 262.437 4.848 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc(C2CCC2)c1 690098360 ANZYEACXMWTHAD-FUHWJXTLSA-N 268.404 4.838 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](OC)C1CCCC1 692950135 MQOIIRPUFBPUOE-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE C=C(CN[C@H](C)CC1CCCCC1)c1ccccc1 694674235 KKEGMNYOTWHXCZ-MRXNPFEDSA-N 257.421 4.648 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccccc1C1CC1 695728425 DSFCRJAPGZTWGS-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)ccc3F)C[C@@H](C1)C2 697305285 UXTGOHMOWLNWPT-ONXXMXGDSA-N 263.331 4.512 30 10 CJEE C[C@@H]1CCC[C@H](N(C)c2ccc(C#N)cc2Cl)CC1 697549323 DAMABQAOCPSDKI-OCCSQVGLSA-N 276.811 4.617 30 10 CJEE CCCCCCCCC[C@H](NCC)c1nc(C)c(C)[nH]1 699896109 SYPDLTCMHOKZIX-INIZCTEOSA-N 279.472 4.818 30 10 CJEE SCC1(CN2[C@H]3CC[C@H]2c2ccccc23)CCCCC1 700414960 QLSKPRONEJOIRE-IRXDYDNUSA-N 287.472 4.759 30 10 CJEE CC(C)(C#N)CCCCOc1cc(F)cc(Cl)c1 703715886 XISUFIOEZPZXAY-UHFFFAOYSA-N 269.747 4.578 30 10 CJEE CCCCCCCCCCC/C=C(\CN)COCC 704183064 FGUNANOZGAKQMH-SAPNQHFASA-N 269.473 4.829 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CC[C@@H](N2)[C@@H]1C 709473826 GMRCVVRTDDQDLC-QBPKDAKJSA-N 251.458 4.904 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCCC2)CS1)C1CCCC1 713202347 INIZDJZVZBSIML-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1 714262353 QNXLEJWJTDFGOU-YXJHDRRASA-N 268.404 4.638 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@H](OC)CC1 718755357 UOULOAWHTACPQD-CABCVRRESA-N 291.460 4.724 30 10 CJEE CC(C)C(C)(C)CSc1ccc(Cl)cc1C#N 718793944 XOIREPVBRCZUIN-UHFFFAOYSA-N 267.825 4.986 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C)C[C@H](C)C1 723762620 ALVLJCKFHRRMKZ-HOTGVXAUSA-N 285.541 4.871 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 724565532 FYQVQSOXVNCGQT-KFWWJZLASA-N 290.369 4.853 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@@H]2C2CC2)CC1 724602760 OKIKIRIZCQHDNU-SQNIBIBYSA-N 261.453 4.537 30 10 CJEE CCC1CCC(/N=C2/N[C@H](C3CCCC3)CCS2)CC1 725080545 MEXAKTGSDJTMLX-BCLQGDPASA-N 294.508 4.597 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)C(F)(F)F 793565427 KNRMQSHLVBNVGJ-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE Cc1ccncc1C=NN(c1ccccc1)c1ccccc1 794444402 ARCWWWMNJJIKLL-UHFFFAOYSA-N 287.366 4.562 30 10 CJEE O=C(/C=C(\O)c1ccc(Cl)c(Cl)c1Cl)C1CC1 1088741814 NFSJVELCALDPPC-YHYXMXQVSA-N 291.561 4.525 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H]1CCC(C)(C)C1)c1ccccc1 1127299303 QICYGZBTNJSXHS-ZWKOTPCHSA-N 299.458 4.821 30 10 CJEE C=CCOc1cccc(CNc2ccc(C(C)C)cc2)c1 1177370454 HICBKHQEVBXPDY-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE C#C[C@@H](NC1CCC(CC)(CC)CC1)c1ccc(F)cc1 1205980556 OVSZOFODJDZIND-GOSISDBHSA-N 287.422 4.839 30 10 CJEE N#CCc1cncc(-c2cc(Cl)cc(Cl)c2Cl)c1 1243115286 RQXWDJJQBKFCRQ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1-c1cccs1 1352192969 TURAQOQRVKPBAW-ZDUSSCGKSA-N 285.412 4.956 30 10 CJEE C#CCN(C(=O)[C@@H](CC)CCCCCC)C1CCCCC1 1357291399 MXMQBUBZXXRDPR-KRWDZBQOSA-N 291.479 4.778 30 10 CJEE C=CCCCN[C@@H](C)CCCOc1ccc(Cl)c(C)c1 1462175721 DRNNOPQLMAXLCH-HNNXBMFYSA-N 295.854 4.752 30 10 CJEE C=CCN(CC=C)Cc1ccc(Oc2cccc(F)c2)cc1 1474400346 OPXUGUOKDIJMBQ-UHFFFAOYSA-N 297.373 4.792 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc(F)c(C)c2)C1 1474540211 BZESBZWDJSBOPF-YCPHGPKFSA-N 261.384 4.530 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CC(C)C)c1ccccc1C 1521568535 MDTWZEMOWIAKBG-QGZVFWFLSA-N 287.447 4.801 30 10 CJEE C=C[C@@H](CC(=O)Oc1cccc(Cl)c1)c1ccccc1 1521858012 UTGJRRPJEIPBTB-ZDUSSCGKSA-N 286.758 4.605 30 10 CJEE C=CCC[C@@H](C(=O)Nc1ccc(CC)cc1)c1ccccc1 1522298532 PHLIESJTMWTPGJ-LJQANCHMSA-N 293.410 4.938 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cccc(OCCC(C)C)c1 1535227591 JPMJUMDLGODWRZ-SFHVURJKSA-N 289.419 4.652 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc2ccn(CCC)c2c1 1539043780 QEZQNZPZCYWPIN-SFHVURJKSA-N 284.403 4.592 30 10 CJEE C#CCN(Cc1ccccc1)Cc1cccc(C(C)(C)C)c1 1559820664 MNYKFKGJOOTPHO-UHFFFAOYSA-N 291.438 4.620 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OCC)cc1C 1560530452 GABOQEMJGSELPD-LPHOPBHVSA-N 287.447 4.618 30 10 CJEE C=C1CCC(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)CC1 1584441027 WFLVVXZCGPBEOD-SFHVURJKSA-N 297.442 4.733 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C[C@H](C)c1ccc(C(C)C)cc1 1586392509 XMHQIEXIUPGIOX-LPHOPBHVSA-N 299.458 4.871 30 10 CJEE CC(C)(C)c1ccc(C#Cc2cc(F)ccc2F)cc1 1614730888 KNHZBLIEINPUOZ-UHFFFAOYSA-N 270.322 4.662 30 10 CJEE C=C(CC)CN1CCC[C@H]1c1ccccc1Br 1615870774 KGEHKKDIYKWCAU-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C=CCC1(NC(=O)C[C@H]2CCCc3ccccc32)CCCC1 1617816456 CYZQVZRWDMRAAJ-QGZVFWFLSA-N 297.442 4.502 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2csc(C(F)(F)F)c2)C1 1621025172 CXSKDKKCGKYDCW-PWSUYJOCSA-N 289.366 4.601 30 10 CJEE CC(C)CC[C@H]1CCC[C@@H]1Nc1snc(Cl)c1C#N 1642214205 BFHVAGCNSHTWAW-PWSUYJOCSA-N 297.855 4.685 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(-c2ccccc2)no1 1643802543 HERNHCWRJXTRRB-CRAIPNDOSA-N 296.414 4.566 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(OC)c1Cl 1643803427 SITGECYDSFYINI-ZFWWWQNUSA-N 293.838 4.573 30 10 CJEE C=C(C)CCN(Cc1ccccc1Cl)CC1CC1 1645604526 OEWAUVRMGBMESE-UHFFFAOYSA-N 263.812 4.518 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccccc1CC(C)C 1648526132 NISVSKXPEDDGAO-LJQANCHMSA-N 271.448 4.816 30 10 CJEE C#Cc1cccc(N(CC)CCCCc2ccccc2)c1 1652883834 UJDOJMOXMUARIQ-UHFFFAOYSA-N 277.411 4.517 30 10 CJEE C#CC[C@@H](NC[C@H]1CCCCC1(C)C)c1ccccc1 1653096413 MAWONSZVNSNWHR-QZTJIDSGSA-N 269.432 4.557 30 10 CJEE CCCCCCCCCN1CCS[C@H](C)[C@H]1C 1653382532 YAEDLJVWEYKLOM-HUUCEWRRSA-N 257.487 4.563 30 10 CJEE C=C(CC)CN1C[C@H](c2ccccc2)c2ccccc21 1653462719 FIZFHCMLFBJAIR-GOSISDBHSA-N 263.384 4.605 30 10 CJEE CCCCCCCCCN1CC(C)(C)OC[C@@H]1CC 1654976689 ZKJHGXXVNBGYCQ-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C=CCC1(NCc2cccc(OC3CCCC3)c2)CCCC1 1657676537 IXUGKMPAXXLNCZ-UHFFFAOYSA-N 299.458 4.987 30 10 CJEE C#Cc1ccc(CN(C)[C@@H](C)c2cccc(Cl)c2)cc1 1659243964 UCXVNJIJGUNROY-AWEZNQCLSA-N 283.802 4.514 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(C(C)C)nc2CC)C1 1659352671 QJMYGGVCSFEXHF-INIZCTEOSA-N 286.463 4.556 30 10 CJEE C=CCC[C@H](C)NCC1(Cc2cccc(Cl)c2)CC1 1659995415 YECDJYDZFKNAKA-AWEZNQCLSA-N 277.839 4.607 30 10 CJEE CCCC[C@H](CC)N(C)Cc1ccc(C#N)cc1Cl 1879302403 YZOFORPIHCVYOI-HNNXBMFYSA-N 278.827 4.612 30 10 CJEE C#CC[C@H](C)CN[C@@H](CCCCC)c1ccccc1 1887364565 AKQUHHTUANKFDG-WMZOPIPTSA-N 257.421 4.557 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CC[C@@H]1C(C)(C)C 1892153248 XUNUQCFVSIBIOM-ROUUACIJSA-N 271.448 4.747 30 10 CJEE N#Cc1ccccc1COCc1cc(Cl)cc(Cl)c1 1893159429 PACIKJZLCBBHTA-UHFFFAOYSA-N 292.165 4.582 30 10 CJEE O[C@@H]1CCCCCCCC[C@H]1CC#Cc1ccccc1 1913413748 PARPURZSBAGNPL-RBUKOAKNSA-N 270.416 4.540 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]2C[C@H]2C1 1917326344 HXBUXZKSHMGENA-HZSPNIEDSA-N 259.418 4.565 30 10 CJEE C#C[C@@H]1CC[C@H](N[C@@H](CC(C)(C)C)c2ccccc2)C1 1918879290 TZDOCBRJUDKXIN-NJAFHUGGSA-N 269.432 4.555 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(C(F)(F)F)nc1 1919888336 NWMLRUMQPHIEEX-CQSZACIVSA-N 289.341 4.668 30 10 CJEE CC[C@](O)(c1ccc(Cl)cc1)[C@@]1(C#N)CCCC[C@H]1C 1921042169 OQUFBLBCEVUMAF-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2csc(Cl)c2)C1 1921090774 WUWZLIILDNIGEX-DFBGVHRSSA-N 297.851 4.719 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CC(CC)C1 1921290210 QILIQOYWSJKSNG-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)s2)CCCC12CCC2 1921609594 HFOMQZCKZZZPBS-CQSZACIVSA-N 265.809 4.808 30 10 CJEE C=C(COCc1ccccc1)[C@@H](O)c1ccccc1C(C)C 1922092198 QKDSULOOBKUHSD-HXUWFJFHSA-N 296.410 4.616 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2OCCCC2(C)C)CC1 1923827171 WLTIIXMRILFASM-UPTPFMHGSA-N 280.452 4.757 30 10 CJEE C[C@H]1CC[C@@H](C2CCC2)CN1c1ccc(C#N)cc1Cl 1924151067 HCWJGWSBKSXHGJ-SWLSCSKDSA-N 288.822 4.617 30 10 CJEE N#C[C@]1(C[C@@H]2C=CCCCC2)CCc2ccccc2C1 1925763381 NODKTHSNKCOGSO-APWZRJJASA-N 265.400 4.822 30 10 CJEE CCCCCCC[C@H](C)NCc1ccsc1C 1944540640 AUHODTWPWBNOHK-ZDUSSCGKSA-N 253.455 4.895 30 10 CJEE CCCC[C@](C)(C#N)C[C@H](C)COCc1ccccc1 1954797227 ZMIAFVCQKFFCHF-WMZOPIPTSA-N 273.420 4.949 30 10 CJEE N#CC1(CN(Cc2ccccc2)C2CCC2)CCCCC1 1954938138 FSFLHTRIEHCIET-UHFFFAOYSA-N 282.431 4.515 30 10 CJEE CC1CCC(CSCc2cccc(C#N)c2F)CC1 1970537417 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252.423 4.925 30 10 CJEE C=C[C@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2030165636 ICJRHYYHJCSHLK-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE CC1(C)CC[C@H]([C@H](C#N)Sc2ccc(F)cc2)C1 2037680615 ADEIRTDRZRBCSL-FZMZJTMJSA-N 263.381 4.636 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H]1C(F)(F)F 2039129777 RLFICVMGYASUJK-NEPJUHHUSA-N 264.331 4.895 30 10 CJEE C#CC(C)(C)C[C@@](CC)(CCCC)CNC(C)C 2048679237 VLGNVFGWEXJVQT-QGZVFWFLSA-N 251.458 4.621 30 10 CJEE C=C(C)C[C@H](NC)[C@H]1CC[C@H](CCCCC)CC1 2049636103 FOYZKOPZQDIIEV-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE O=C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCCC12CC2 2053414908 DFWYXHMTJKHSGV-HNNXBMFYSA-N 283.198 4.685 30 10 CJEE CCCCCCCCN(C)CC1CC(C2CC2)C1 2074911075 JAFUIVJYUDGHER-UHFFFAOYSA-N 251.458 4.715 30 10 CJEE CCCC#CCNc1ccc(Cl)c(C(F)(F)F)c1 2083409940 FXNLTVXOPGPPIS-UHFFFAOYSA-N 275.701 4.574 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(Cl)s1)C1CCCCC1 2083422115 PWZHKSUQSYMPMK-AAEUAGOBSA-N 281.852 4.634 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1cc2sccc2s1 2084711522 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C=CCCC[C@@H](C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)NCCC 2355319486 BCYDTBMVFMVMJG-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2OC[C@@H]3CCCC[C@H]23)C1 2358518571 RDNLDNRYEVFDOH-NBOOPKSLSA-N 275.436 4.692 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C(C)C 2360148132 OZAGXUWSPPDAMX-RCCFBDPRSA-N 283.500 4.763 30 10 CJEE CC(C)CC(CC(C)C)OCc1cc(F)cc(C#N)c1 2360306327 RGFOZXXIPIWVRQ-UHFFFAOYSA-N 277.383 4.675 30 10 CJEE CCCCCCCCC[C@@H](O)C(F)(F)C(F)(F)F 2578107 YFCKZQQCWZNEFP-SNVBAGLBSA-N 276.289 4.686 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)cc1 19887283 YMNXTDGKDQRFEI-LMMKCTJWSA-N 286.378 4.693 30 10 CJEE CCc1c(-c2csc3ccccc23)sc(C#N)c1N 44273807 PEDRZBQLCRKRAT-UHFFFAOYSA-N 284.409 4.646 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(C(=O)NCC)c1 59423065 VIJWHQGCLGJCPT-HNNXBMFYSA-N 290.451 4.597 30 10 CJEE CCCCCCCOCC(=O)c1ccc(Cl)cc1 59526100 MIDKVZZAHJXYOZ-UHFFFAOYSA-N 268.784 4.510 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 69234515 VJJVJYXKHADODQ-NSHDSACASA-N 284.325 4.814 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Br)s1 70597986 HESGEZNUQDFLPP-JTQLQIEISA-N 288.254 4.518 30 10 CJEE C=CCCCNc1ccccc1Oc1ccccc1 71275319 OUUWZJZVGMXOIO-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE Cc1sc(-c2ccccc2OC(C)C)cc1CC#N 77094307 NLUYVEJLVSHWEN-UHFFFAOYSA-N 271.385 4.577 30 10 CJEE CCC[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 79343602 RVIVJZXDRMTOSS-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccccc1 83194146 VKCJUEBYKVLRDZ-CMDGGOBGSA-N 286.758 4.553 30 10 CJEE C=C(C)Cn1cc(C#N)c2cc(-c3ccccc3)ccc21 84865605 PWBNSPZDDDDLLK-UHFFFAOYSA-N 272.351 4.756 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)CC1 86923100 ILRQOFDKRNRTBP-CVEARBPZSA-N 286.419 4.750 30 10 CJEE CCCC(CS)(CCC)Cn1ccnc1C(C)C 94586871 BTEMIQMZAHTCMX-UHFFFAOYSA-N 268.470 4.523 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2F)c(Cl)c1 104006828 SKLOSFKMRWLDSP-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCN1CCNc2cc(OC)ccc21 106595646 ZJZBRMWLQNJTAH-UHFFFAOYSA-N 290.451 4.678 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@@H]1c1ccccc1 109941156 QFFHWJVGBDFPCP-KBAYOESNSA-N 259.437 4.881 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 110028917 OAJFKTVYWNWROI-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCC1(CNCCOC)CCCC1 110202236 LNLJQXXGQXWUKG-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCC(CC)CN(CC)c1ccc(C(F)(F)F)cc1C#N 110255146 SRENVKNDPDIDQD-UHFFFAOYSA-N 298.352 4.840 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)c1ccc(C#N)cc1F 110258462 BDIJAERQCXVRMU-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCC1(C)CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265592 PFKJFOJDNSXDTL-BRWVUGGUSA-N 290.495 4.853 30 10 CJEE Cc1cccc(Sc2ccc(C#N)cc2Cl)c1 110354301 VZUUSYKWSNYTSV-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@@]1(C)CC 114063694 LZUTXHIRXSAGIX-IEBWSBKVSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC(=O)CSC1CCCC1 115818538 AVFFHXZMTRFZII-UHFFFAOYSA-N 256.455 4.982 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1ccncc1 115999698 GMVLNARVXCXVQY-GOSISDBHSA-N 276.468 4.872 30 10 CJEE CCCCCCCCC(=O)Cc1c(F)cccc1F 122784711 LZURQPQYJICKEM-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2ncccc12 123234124 VTEDZBZNXQQXCL-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCCC[C@@H](NC)c1c(Cl)cnn1CC 126305432 RRMMLYMKOUSYFC-OAHLLOKOSA-N 299.890 4.958 30 10 CJEE CCCCCCCC(=O)Cc1ccc(F)cc1C 127794091 MYUROAHZGMBXCF-UHFFFAOYSA-N 250.357 4.606 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCC(C)(C)C[C@@H]2C)CC1 132204950 LPWBTNQEUMGYLU-GSHBMFQSSA-N 291.479 4.920 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1C(=O)OC(C)(C)C 135361324 FBVHPAJRMBPBFF-MRXNPFEDSA-N 297.483 4.543 30 10 CJEE CSc1cccc(N(C)[C@H](C)c2cccs2)c1C#N 136643113 RBYNFJKCRUUMPI-LLVKDONJSA-N 288.441 4.539 30 10 CJEE CCCCCCCC[C@@H](N)COc1ccc(Cl)cc1 140289322 OUTBZRMVDAHOII-OAHLLOKOSA-N 283.843 4.797 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cncs1 147673578 ABACHPIGDDAORX-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCCC 156230424 CTBXTDLILRWKGM-JYJNAYRXSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncccc1CC 157416317 DMWOKAYVRNVQFU-MRXNPFEDSA-N 263.425 4.818 30 10 CJEE N#Cc1cc(F)cc(COc2c(Cl)cccc2Cl)c1 163731849 XZWQGVOSKJYDRI-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](O)(CC)c2cccc(F)c2)C1 167007431 KZDCYQUOVQEPTR-ZTFGCOKTSA-N 289.394 4.533 30 10 CJEE CC1(C)[C@@H]2C[C@H](Sc3ccccc3)[C@@](C)(S)C[C@H]21 195482053 GEINJCZBPBJHJU-NYTXWWLZSA-N 278.486 4.902 30 10 CJEE CN(Cc1cccc(Cl)c1Cl)c1ccccc1C#N 219027104 RIIMEEFZNWUPJR-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC 219295964 KIHAWMRVXKLKAI-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE N#Cc1cc(F)cc(Oc2ccc3ccccc3c2)c1 227634077 RRSJTAGNTFTKBD-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE C=CCC[C@@H](C)Nc1c(C)cc(Br)cc1OC 228824435 WLRUBKQGTTYHQN-LLVKDONJSA-N 298.224 4.533 30 10 CJEE CC[C@H](C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 232341511 DSMZNLDGZANLAU-NSHDSACASA-N 286.762 4.912 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(SCC)cc1 232961067 XZVKQKVRTKTMHC-MRXNPFEDSA-N 280.481 4.664 30 10 CJEE CCC[C@H](C)[C@H](C#N)c1ccc(OCC(C)C)cc1 233344160 FQWZXBGDRTUDRD-YOEHRIQHSA-N 259.393 4.765 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)cc1 234438894 USOISGPQUZFQLI-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Cl)cc1OC 234828701 DCSQIHGYFROBJX-CQSZACIVSA-N 268.784 4.519 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(Br)c1C 235745300 YAJGBLATNPBHGI-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1nccc(C#N)c1Cl 235793151 SRRCDEQCCJQLIJ-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CC)CC[C@H]1NCC 250797801 BODOORZWDUOJKY-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 252901920 LWDNPQVQLSBCIS-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE N#C[C@@H]1CCC[C@H](c2ccccc2C(F)(F)F)C1 260558858 VQIJPYHREVWPRT-MNOVXSKESA-N 253.267 4.503 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 308054043 KBOMAMPBLRXAJF-UKRRQHHQSA-N 291.822 4.979 30 10 CJEE C[C@@]1(c2cc3ccccc3s2)CCC[C@@H](CC#N)O1 312120091 ULFQHPCLAWIMTA-BBRMVZONSA-N 271.385 4.599 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 313487961 YUHYGDHFOVLKSX-INIZCTEOSA-N 265.400 4.970 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C=O)CCc2ccccc2C1 316677626 BHDZAWFAFMLROM-MNEFBYGVSA-N 270.416 4.577 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)[C@H]1CCOC2(CCCCC2)C1 316709288 DAHGMGDUYZYKRH-SOLBZPMBSA-N 278.436 4.511 30 10 CJEE Cc1cc(C)cc(CC2(C=O)CCCCCCC2)c1 317796992 ZXJBTVLSLRNOON-UHFFFAOYSA-N 258.405 4.776 30 10 CJEE CCO[C@@H]1C[C@H](C2(C#N)CCC(C)(C)CC2)C1(C)C 381236669 QWOIFSVNCZHWBE-UONOGXRCSA-N 263.425 4.548 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)C1CCC(C(C)(C)C)CC1 383422208 CVNPJJVXUCKCHW-JCYILVPMSA-N 277.496 4.867 30 10 CJEE CC(C)(C)C#CC[C@H]1CC(C)(C)CC[C@@H]1CNC1CC1 383463389 OKXMHPOUFNLNNG-JKSUJKDBSA-N 275.480 4.621 30 10 CJEE CO[C@](C)(C[C@@]1(C#N)CCCC[C@H]1C)c1ccccc1 384843125 JLYGOLSWIUWQEG-KBAYOESNSA-N 271.404 4.658 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1sccc1Cl 384869507 ONBXJQBJCQTHEW-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@@H](O)CC 386834454 WNJJTHZKADHMCY-SJORKVTESA-N 271.489 4.656 30 10 CJEE C=C(COCC)[C@@H](CCCCCCCCC)NCC 387673206 QHMOTTWLNMMIPG-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cc2ccccc2s1 393774953 DMDNVKQBQHPFDC-TZMCWYRMSA-N 259.418 4.907 30 10 CJEE CC(C)(C)c1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1 396684279 YFRZHSQPVQZMJR-SEYXRHQNSA-N 286.224 4.629 30 10 CJEE CC[C@H](C)c1ccc(OCC2(C#N)CCCC2)cc1 405215908 HRXAVHYUAQFYEN-AWEZNQCLSA-N 257.377 4.663 30 10 CJEE C=CCCc1ccccc1NC(=O)CCc1ccccc1C 410368415 BACDUTVEAJZKQB-UHFFFAOYSA-N 293.410 4.685 30 10 CJEE COc1cc(C(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 575379344 ACUIJLYQYHGSAE-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H](C)CCCC 686687374 OHQNWXRHRMHSFJ-IRXDYDNUSA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@H](NCCC)C1(CC)CCCC1 686696136 VRZUVJVQKHTIIG-KRWDZBQOSA-N 263.469 4.909 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/NC2(CCCCC2)CCS1 687325935 YXGNAFHCLBEKRV-HNNXBMFYSA-N 296.524 4.987 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H](CC)CC(F)F)C1 688767343 PBFPXQFUYNDXFX-IPYPFGDCSA-N 260.368 4.843 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@H]2CCCC(C)(C)CC2)c1 697537014 WKBHPHMJEKZLQX-INIZCTEOSA-N 270.420 4.662 30 10 CJEE CCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698852332 DIIFZDJQJJRWCL-OAHLLOKOSA-N 294.439 4.639 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1C1CC1 699124321 VWQAUOCMVJRYTA-ZACQAIPSSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@H](O)CCCOC1CCCC1 699593626 HTZGCEIPMMQQMZ-INIZCTEOSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](N)C1CCC1 702308138 BXEBLTJYBUDHOB-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCCC[C@]1(N)COC[C@H]1C 704863910 DWBRLIFXWNXUOL-SJORKVTESA-N 269.473 4.661 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1c(C)cc(C)cc1C 710644648 YVKAWCNVNILNLY-OAHLLOKOSA-N 265.828 4.795 30 10 CJEE CCCCCCC[C@@]1(C)[C@@H](NCCC)CCN1C(C)C 712191003 ITFAHJHDCUQADQ-ROUUACIJSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)[C@H](Cc1cccc(Cl)c1F)NCCC 715719048 JUXSRIGUWMEFRV-WFASDCNBSA-N 283.818 4.602 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc2ccccc12 715816764 ZOTWVNHVRXHVNP-RDTXWAMCSA-N 253.389 4.703 30 10 CJEE CCCCCCCCCCCCNCC[C@H](O)C(F)F 716738566 MHQDDGFSEIUOMA-HNNXBMFYSA-N 293.442 4.513 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCC[C@H]1C 719632932 IIWOGQPALWXBNS-YQVWRLOYSA-N 285.431 4.949 30 10 CJEE C=CCN(c1ccc(Cl)cc1CNC(C)C)C(C)(C)C 723157176 MTFUAQGENFYOJU-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCCC2(F)F)NC)CC1 724607498 NXKIDSDJLNMTCQ-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@H](C)[C@H](C)CNC(C)(C)C)CC1 724615352 DVGFCIMFMVWPOB-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H](C)OC(=O)C1CCC(C(F)(F)F)CC1 769459849 UHKNIVVGIYSVEN-HIFPTAJRSA-N 292.341 4.643 30 10 CJEE CC/C(=N\OCCOc1cccc(C)c1)c1ccc(C)cc1 821218175 NAXFRISXMXZNGW-FMQUCBEESA-N 297.398 4.513 30 10 CJEE COc1ccc(-n2cccc2C=Nc2ccc(C)cc2)cc1 1084569505 BGIWNVLZRRAXCP-UHFFFAOYSA-N 290.366 4.545 30 10 CJEE C=CC(C)(C)CC(=O)N(CC(C)C)c1ccc(Cl)cc1 1127124178 NICBTZCVDZWZCA-UHFFFAOYSA-N 293.838 4.931 30 10 CJEE C=C[C@@H](OC(=O)/C=C\Sc1ccccc1)c1ccccc1 1131134231 FZJOBSYDVCZLPL-LKBMAGLMSA-N 296.391 4.763 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](C)c1cccc2ccccc12 1134690220 RPMZQANNIVNPKK-CQSZACIVSA-N 281.399 4.619 30 10 CJEE C=CCC[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 1176771173 GVBWFGLKJMVAAA-HNNXBMFYSA-N 284.230 4.924 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccccc2)cc1OC 1178581773 ZVDUTLNELGKBBU-LJQANCHMSA-N 295.426 4.807 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(CCC)cc1 1178939489 HPKPQFPDOAEEKH-OAQYLSRUSA-N 293.454 4.916 30 10 CJEE C=CCCCCCN[C@H](C)c1ccc(OC(F)F)cc1 1192757151 MLHHBWQDCZPYQD-CYBMUJFWSA-N 283.362 4.685 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@@H]1c1ccccc1Cl 1205838699 BWUOHWRUUXGWCU-ZBFHGGJFSA-N 277.839 4.778 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 1258721854 HTCGBHXELCMPLU-NWDGAFQWSA-N 287.325 4.591 30 10 CJEE C=CCC[C@@H](C)N(C)[C@H](C)c1ccccc1Cl 1258733713 MGCCDMRZTUPXKZ-CHWSQXEVSA-N 251.801 4.688 30 10 CJEE C=CCCCCN[C@H](C)c1cc2cccc(OCC)c2o1 1307662581 VNLSCXLMKYTKKC-CQSZACIVSA-N 287.403 4.838 30 10 CJEE C=CCN(Cc1cccc2ccoc12)c1ccccc1 1308698198 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CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCC3(CCC3)C2)C1 2159225418 VEKNXELDKXDXOY-KBAYOESNSA-N 275.436 4.572 30 10 CJEE C=C1CC(CNCCC)(CC(C)(C)c2ccccc2)C1 2159582813 AJWQXKIBTMPUQE-UHFFFAOYSA-N 271.448 4.690 30 10 CJEE CC(C)(C)NCC1(CC#CC2CCCCC2)CC=CC1 2160153849 GMHIFBYUHVFPNK-UHFFFAOYSA-N 273.464 4.685 30 10 CJEE C=CCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NCCC 2162001830 NAZUNYPMUZYFEL-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCO[C@@H]1CC(C)(C)CC[C@@H]1NC 2162008580 BTNJZQNHGCTJTQ-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=CCOc1ccccc1C(=O)CC1CCC(C)CC1 2163966554 ZXWWUNUICWUEMJ-UHFFFAOYSA-N 272.388 4.651 30 10 CJEE C[C@@H]1C[C@H](N(C)CC#CC2CCCCC2)CC(C)(C)C1 2165162453 WMUPMPNJUSFGFX-AEFFLSMTSA-N 275.480 4.717 30 10 CJEE C=CC1(CN[C@H](C)c2ccc(CC(C)C)cc2)CCC1 2168008595 ZWSXVLOSOPPTQA-MRXNPFEDSA-N 271.448 4.892 30 10 CJEE CCCCCCCC[C@H](NCCC)c1c(Cl)ncn1C 2168186244 SYIXRYYRDDZPPL-AWEZNQCLSA-N 299.890 4.865 30 10 CJEE CCCC[C@](C)(C#N)[C@@](C)(O)C1CCC(C(C)C)CC1 2168385599 YFLNGSOJECHGNI-HIEASXQVSA-N 279.468 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C=CCCCCCCCCCN[C@@H]1CCCC[C@H]1OC 2207412302 WPVMKKIIHCBUFF-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCNCc1ccnc(C)c1 2207428116 UWJWHESDDHQBID-UHFFFAOYSA-N 274.452 4.786 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](OC)C1CCC1 2207432146 MJHMXRRGUSEMSS-ZWKOTPCHSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccc(F)cn1 2207439604 BNOROFGEONPLJZ-KRWDZBQOSA-N 279.399 4.951 30 10 CJEE N#C[C@H](C(=O)c1cccs1)c1cc(Cl)ccc1Cl 2218652896 ZZXYTGASMINQPI-JTQLQIEISA-N 296.178 4.545 30 10 CJEE CCCCCCCCC(=O)c1ncc(Cl)cc1F 2218697649 AVNBFAVEKOFRMW-UHFFFAOYSA-N 271.763 4.807 30 10 CJEE C=CCCCCCCC[C@H](N)CC1CCSCC1 2220084000 HWGPUYDRARTIGN-INIZCTEOSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(CC)o1 2220085973 DGARMNPPICQJLS-HNNXBMFYSA-N 250.382 4.792 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1scnc1Cl 2220087557 ROJLIQSRNDAHPB-GFCCVEGCSA-N 286.872 4.974 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2220766172 XZSUMNYQYUOLIM-QPUJVOFHSA-N 277.717 4.571 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@@H](CC)CC(F)F 2223590887 ANVUTLCOYCRBDD-MJBXVCDLSA-N 261.400 4.638 30 10 CJEE CCCCCCC[C@@H](C)Nc1cnn(CC)c1Cl 2223821997 ZDQNRTKRLXMMCT-GFCCVEGCSA-N 271.836 4.717 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]2C[C@H]21 2223847379 DEZQZBFVMPEQNR-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCCCOCc1cnc(Cl)cn1 2225678115 CSLXLLRPMBNSND-UHFFFAOYSA-N 282.815 4.563 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1scc(C)c1C 2225918457 FFWXTXARMMVLPA-CQSZACIVSA-N 282.449 4.659 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 2227277437 YGNTXRYOBASZNR-ATIWLJMLSA-N 261.453 4.667 30 10 CJEE CCCC#CC[C@@H](NCCC)C1(C)CC2(CCC2)C1 2228275145 QELSUBQBFAKMJK-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CC[C@@H](NCC#CC(C)(C)C)C1CCC(C)(C)CC1 2230495114 PFWDLWYUSYNTPS-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC1(C)CC[C@]1(C=O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2230657893 DSWPVJFCPMEPLC-YFHUEUNASA-N 262.437 4.988 30 10 CJEE CCCCCCCCCCOc1cc(Cl)nc(C)n1 2231020228 TZONNOIMGAZAAF-UHFFFAOYSA-N 284.831 4.958 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@H](O)[C@@H]1C 2231025335 CZMFVRCQGNJEFI-YESZJQIVSA-N 270.457 4.693 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccccc1C(=O)CC 2231041712 GTMACUXXLXHMRD-AWEZNQCLSA-N 260.377 4.793 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H]1CCCC(C)(C)C1 2231506194 QOOFMTQKEYHXBD-CRAIPNDOSA-N 263.469 4.927 30 10 CJEE C=C(C(=O)Cc1ccc(C(C)(C)C)cc1)[Si](C)(C)C 2231541038 SVFGWCOWZDYUBJ-UHFFFAOYSA-N 274.480 4.529 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(F)c(Cl)c1 2233366562 PRIBWQKYAFDQFX-WCQYABFASA-N 295.785 4.872 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233655955 LDYGXCNGZRIAMK-RDGPPVDQSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCC[C@]1(CNC(C)C)CCCOC1 2235521505 JZNHOHPHCCJPTG-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCOc1ccc(C)cc1CNC 2235522397 TXJZQJFYZZCMJU-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H](OC)C1(C)C 2235522722 XKTVWFJIYFEDJC-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1ccccc1OC 2235523356 FASLZZFZIOMBNF-SFHVURJKSA-N 275.436 4.786 30 10 CJEE C=C[C@@H](CCCCC)OCC1(CNC(C)(C)C)CCC1 2239488066 WRFZDOZANPUMAQ-INIZCTEOSA-N 281.484 4.696 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NC)c1ccc(Cl)cc1 2239511387 UUCTZCLWOPEZBP-SJORKVTESA-N 295.854 4.752 30 10 CJEE CCCCCCCCCOc1ccc(Cl)c(CNC)n1 2239545533 YDSHYXUOKQCYFG-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE C=CCCCN(C)c1ccc(Cl)cc1CN[C@@H](C)CC 2240043930 RAZLUKJFQGFIHD-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@]1(CN[C@@H](C)CC)CCO[C@H]1C 2240157719 SWYWBDXPQOMGLL-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@](C)(N)c1nnc(C2CCC2)s1 2240617170 BCVAEQPWUVRTRP-MRXNPFEDSA-N 295.496 4.730 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@H]1CC=CCC1 2240653773 KJKJZNNWRDNKPT-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCOCC[C@@H]1CC 2240654361 QVXFOFXOSMBBJT-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCCC)[C@@H](C)CC 2240654532 SHIMIRGJBHKFQT-KSZLIROESA-N 285.516 4.902 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@H](C)c1ccc(C)cc1 2240818723 QGHPRZNKJSCWCI-IEBWSBKVSA-N 271.448 4.660 30 10 CJEE C=CCCCCCCCSc1sccc1CO 2250064518 DJEHCBZAYUNYHE-UHFFFAOYSA-N 270.463 4.859 30 10 CJEE CO[C@H](CSC[C@H](CS)C(C)C)C1CCCCC1 2256663914 WFYRKWIWTVCUBN-LSDHHAIUSA-N 290.538 4.517 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccc(C)s1 2258977274 ZFJJOCQHBBCEOJ-CQSZACIVSA-N 283.506 4.797 30 10 CJEE C=C(C)CCCC[C@@H](C(=O)O)c1ccc(Cl)cc1 2259203292 FRLYQGAGQNRXRA-CQSZACIVSA-N 266.768 4.645 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccsc1Cl 2263036490 QBDCBSQPUQLHPV-ZDUSSCGKSA-N 289.872 4.778 30 10 CJEE CCCCCCCCC[C@]1(CO)CCC(F)(F)C1 2263352244 PQIXOEKPCBWRGY-AWEZNQCLSA-N 262.384 4.925 30 10 CJEE C=C([C@@H](C[C@H]1CCCC12CC2)NCCC)[Si](C)(C)C 2266613720 PFVZDHBNRZMKSE-HZPDHXFCSA-N 279.544 4.759 30 10 CJEE N#Cc1ccc(OCC[C@H]2CCCC23CC3)cc1Cl 2266639481 BOTVCAMMAGOUSW-CYBMUJFWSA-N 275.779 4.561 30 10 CJEE SCC1(COCC[C@H]2CCCC23CC3)CCCCC1 2266645511 XUOPTWQSNHJLQL-OAHLLOKOSA-N 282.493 4.854 30 10 CJEE CCCN[C@@H](CCC=CC#CC(C)(C)C)CC(C)C 2268740361 BTNFXMLWZMBEAH-KRWDZBQOSA-N 263.469 4.787 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1coc(C(C)C)n1 2271791303 LQMBEAIRWYONSM-AWEZNQCLSA-N 264.413 4.585 30 10 CJEE C=C(C)CCCCC1(CNCC)C[C@@H]2CC[C@H](C1)S2 2271834589 HOPOYTZHXFQISJ-SJPCQFCGSA-N 281.509 4.777 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)cc1 2273997441 ZGDDPDDMFCXIHW-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CC[C@](O)(C#CC1CCCC1)C1CCC(C)(C)CC1 2274060885 GNARBMGQYDWBHR-SFHVURJKSA-N 262.437 4.538 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1cc2sccc2s1 2274128504 KQSCIELWJVAKTD-ZDUSSCGKSA-N 289.469 4.807 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H](C)[C@@H](C)CC 2276635051 DLEBPSODBJIOIO-BBWFWOEESA-N 271.489 4.763 30 10 CJEE SCCCCCCCOC[C@@H]1C[C@H]1c1ccccc1 2277450155 RQNNGLJFVABLOI-IRXDYDNUSA-N 278.461 4.687 30 10 CJEE CCCCCCCCC[C@]1(C)CCC[C@@H](CCN)O1 2278127154 LKRJKIBTOLJQOD-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CC#CCCCC[C@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279729355 OCFVQMMQPDOERN-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=CCCC[C@H](NCCC)c1ccnc(C(F)F)c1C 2283183996 BWMVJVHCYQAPLG-AWEZNQCLSA-N 282.378 4.725 30 10 CJEE C=CCCCCCCCSc1c(F)cccc1C(=N)N 2287063330 PANSRCSQQZPFFS-UHFFFAOYSA-N 294.439 4.728 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1c(F)cccc1F 2287064406 AVEGQUBPRTWCSW-OAHLLOKOSA-N 299.430 4.705 30 10 CJEE C=CCCCCCCCSc1cc(N)nc(CCC)n1 2287090103 ONNNPDGECCOVPU-UHFFFAOYSA-N 293.480 4.630 30 10 CJEE CC[C@]1(C)CCSC(=Nc2cc(C3CC3)ccc2F)N1 2287307046 XTSZYHRUKRBJLZ-MRXNPFEDSA-N 292.423 4.586 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](O)CCCCCCC 2287387156 CXUAZJADKNJZAI-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CC[C@H]1NC(=Nc2cccc(C3CCCC3)c2)S[C@@H]1C 2289182634 RKJHEAHPBVPORP-MLGOLLRUSA-N 288.460 4.835 30 10 CJEE N#C[C@H](CNc1cccc(C2CCCC2)c1)C1CCC1 2289271918 QAWHUVXALGAZSJ-QGZVFWFLSA-N 268.404 4.696 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@]1(C)CC=CCC1 2289700815 QBAPNWZDQMDDEZ-RBUKOAKNSA-N 273.464 4.685 30 10 CJEE N[C@@H](C#CC1CCCCC1)c1cc2ccc(F)cc2s1 2289786816 MJNODELRUOWXIR-HNNXBMFYSA-N 287.403 4.624 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1C[C@H](C)C[C@@H](C)C1 2289906116 XEBFTZNSJPIXJL-GPMSIDNRSA-N 275.480 4.621 30 10 CJEE C#C[C@H](NCC1CC(CC(C)(C)C)C1)C1CCCCC1 2289964032 SVTNWDLVFMTYBP-HTWSVDAQSA-N 275.480 4.621 30 10 CJEE C=CCCCCC[C@H](CC(CC)CC)OCCC(=O)O 2291456036 KISABKXQHXXTJR-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@@](C)(C#CC(C)(C)C)OCCN 2292616132 HOQONLINKNUUAN-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C(C)C 2292655731 OCYVMRBCMBDQEU-KSZLIROESA-N 281.484 4.539 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1cccc(C)c1 2292806286 QVYKWIMMMKGMSO-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCCCC[C@H]1CC 2293366100 YXQUXEACSCHMKX-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](OCCCN)C(C1CC1)C1CC1 2293650365 YPEGQOZATTULSJ-QGZVFWFLSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC2(CCCC2)C1 2293660714 OWTXWTCVHZFJGQ-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C1=CCCCC1 2294310371 VJZQWBJWXSFMMM-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CN(CCCCCCCS)C12CC3CC(CC(C3)C1)C2 2294769908 DTDLGKNOYURYMP-UHFFFAOYSA-N 295.536 4.767 30 10 CJEE O=C[C@]1(C2C3CC4CC(C3)CC2C4)CCCCC12CC2 2294903945 ZFZAZWSNMQMRTN-PWKXAEOISA-N 272.432 4.598 30 10 CJEE CCCCCCCCC[C@](C)(OC1CC(C)C1)C(=O)O 2295596283 JHOWUNRGMRCFIP-DQPZFDDXSA-N 284.440 4.786 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nsc(CCC)n1 2295601394 OLYARCJQIAKCKS-MRXNPFEDSA-N 297.512 4.805 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)C1CC(CC)C1 2295683214 YQMRAQIKPYPGSC-ZGUYJTEBSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@H](C)NCCN(C)[C@H](C)CC 2295686725 LYRGGKDOKGYDGQ-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@H](C)Nc1cncnc1CC 2295691615 NSVVPFMZWWCMDB-HNNXBMFYSA-N 277.456 4.980 30 10 CJEE CCCCCC#CC[C@@H](NC)c1ccc2scnc2c1 2296090829 WOSQTVJHBPAZJQ-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCC[C@@H](NC)c1scc(OC)c1OC 2296293246 HLJFJRMRKAGZHR-CYBMUJFWSA-N 299.480 4.776 30 10 CJEE CCOc1ccc(C(=O)C=Cc2ccc(SC)cc2)cc1 2297329951 PLTLFTDETXAMPC-UHFFFAOYSA-N 298.407 4.703 30 10 CJEE C=C1C[C@@H]1C[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301195587 RKNBQTDQDKYTLY-MFKMUULPSA-N 270.203 4.529 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2301974893 MXYWDISBTIBHBL-SNVBAGLBSA-N 273.829 4.546 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC[C@@H](C)C(F)(F)F 2304045698 JDNSJEMPGWPUGW-PWSUYJOCSA-N 250.304 4.527 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Br)cc1C 2304121890 GLRLGZSLUYLEOL-HUUCEWRRSA-N 297.236 4.783 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(C)s1 2313531370 ISRLNJKFFZHBIO-JSGCOSHPSA-N 283.506 4.795 30 10 CJEE C[C@@H](CC(C)(C)C#N)OCc1cccc(Cl)c1Cl 2317203617 LSJLWNLIUIGEPC-JTQLQIEISA-N 286.202 4.838 30 10 CJEE CC(C)C1CCC(C=O)([C@H](C)[C@H](C)C(C)C)CC1 2317821180 UFNDAFCEZIAALO-NUWOQIAWSA-N 252.442 4.946 30 10 CJEE CSc1cc(C)ccc1C(=O)C1=CC[C@H](C)CC1 2319570267 ALKCZOWTAQVVET-NSHDSACASA-N 260.402 4.646 30 10 CJEE CCCCCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2320208885 NLVQFKPYDGIIFC-JKSUJKDBSA-N 253.474 4.961 30 10 CJEE C=CC(C)(C)CNc1cc(Cl)nc2ccccc12 2321124400 AMPRWQXMOUDABF-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(CSC)c1 2321139051 WOIORAKAWQKYBJ-JKSUJKDBSA-N 263.450 4.542 30 10 CJEE C[C@H](CC(C)(C)C)N(C)C[C@](C)(CS)C(C)(C)C 2327279728 UYBPDRFEFADUNV-CZUORRHYSA-N 273.530 4.725 30 10 CJEE CC[C@@H](CS)COc1ccc2ccccc2c1Cl 2327870749 KCEKOXXGZYOREK-LLVKDONJSA-N 280.820 4.828 30 10 CJEE C=C[C@@H](NC[C@@H]1C[C@H]1C1CCCCCC1)C1CCC1 2332748840 VMXHNRCGQCDOOQ-OKZBNKHCSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(Cl)c(F)c1F 2335100592 LFIDTKCNYSCSMG-SNVBAGLBSA-N 285.765 4.790 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1CNC(C)(C)C 2335241800 LWOJXTMDKZUOOE-LBPRGKRZSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC)CCCC12CCC2 2338742253 USCHESDQKJUFNA-GOSISDBHSA-N 261.453 4.705 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCS1 2339252145 ZEPJGEYDLDMOEX-MTSZKFMLSA-N 275.461 4.794 30 10 CJEE CCCCCCCC[C@H]1NCC(C)(C)[C@@H](C(C)C)O1 2340435173 BAJGRBGRUNQBKJ-JKSUJKDBSA-N 269.473 4.734 30 10 CJEE CCC[C@@H](OCC1(C#N)CCCC1)c1ccccc1 2340549195 XWKJSISKPBGNPU-MRXNPFEDSA-N 257.377 4.628 30 10 CJEE C=CC[C@@](C)(N)C[C@@H](c1ccccc1)C1CCCC1 2342471927 SHGBDYUHVBHTJH-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(C(C)C)cc1 2344460696 TTYLSZLFJNUNHO-ROUUACIJSA-N 260.421 4.706 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(C(C)C)ccn1 2352783441 NLDDBFGFYWIKBP-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CC(C)[C@H](C#N)COc1ccc2ccccc2c1Cl 2353163484 AZUMTCPWZSUWJD-CYBMUJFWSA-N 273.763 4.668 30 10 CJEE C=CCCC[C@@H](O)CC1CCC(CC(F)(F)F)CC1 2353169525 LMPHYAYWKGVBLU-JXQTWKCFSA-N 278.358 4.853 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(F)F 2358137264 JBVXFMDNEQWWFZ-BZUAXINKSA-N 285.422 4.620 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1C[C@H]1C)OCC(=O)O 2359961013 BJIBLRYQNGHYHW-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)SCc1cccc(C=CC(=O)O)c1 2360206338 WKJSPCFHTPQULQ-UHFFFAOYSA-N 288.412 4.538 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H](C)CC1CC1 2360375350 AWSVXEZNHHZBIN-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE O=C(/C=C\Sc1ccccc1)c1ccc(Cl)cc1 33388205 KCFBJWDCLGKMSZ-KHPPLWFESA-N 274.772 4.829 30 10 CJEE O=C(/C=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 33447978 ORCJDCVDGAZOAL-SREVYHEPSA-N 293.149 4.595 30 10 CJEE Cc1ccc(C)c(OCCC[C@@H](C#N)c2ccccc2F)c1 57686475 KQCGRVMHNGPATH-INIZCTEOSA-N 297.373 4.909 30 10 CJEE CCCCCCC[C@@H](C)NCCCc1ccccc1 59090072 SPYVCBKUHISMJF-QGZVFWFLSA-N 261.453 4.958 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](CC(=O)O)c1cccs1 59462096 LJFFWLKVUOVCQI-ZIAGYGMSSA-N 297.464 4.603 30 10 CJEE N#Cc1ccc(N[C@H]2CCCc3sccc32)cc1Cl 61325635 SYDDINLQLNYCEF-AWEZNQCLSA-N 288.803 4.763 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2cccc(OCCCC#N)c2)[C@@H]1C 68625322 YQNXHFPJPAJLET-IIDMSEBBSA-N 286.419 4.606 30 10 CJEE C=CCCC[C@H](Cc1ccc(F)cc1Cl)NCCC 71277291 QKMUCZIKCUABOX-OAHLLOKOSA-N 283.818 4.746 30 10 CJEE C[C@H]1CC(Nc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)C1 84464658 BBPLCDRHMSRSBL-GHMZBOCLSA-N 296.336 4.814 30 10 CJEE Cc1ccc(SCC[C@@H](C)CCS)c(C)c1 87096197 VVUAZCRXNSVFSA-NSHDSACASA-N 254.464 4.742 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87996664 YTKXBMVRRPPALQ-QAPCUYQASA-N 285.435 4.651 30 10 CJEE CCC(CC)N(CC(C)C)C[C@H](CS)c1ccccc1 94582121 WPCJVZCLCDNRHR-QGZVFWFLSA-N 293.520 4.847 30 10 CJEE SCCCOc1ccc(-c2ccccc2)cc1Cl 94582631 XNJPVDUSCDHSPT-UHFFFAOYSA-N 278.804 4.706 30 10 CJEE CCCCCCCNC[C@H](C)Oc1c(C)cccc1C 100027348 ZVEBFYJVXSCIGO-KRWDZBQOSA-N 277.452 4.631 30 10 CJEE CCCCCCCNCc1ccc(O[C@H](C)CC)cc1 100027421 DPVIKLXMDSVMDO-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCCCCCCCCCC[C@]1(C(=O)O)CCOC1 109674327 JSBAUSMGZRKVIT-KRWDZBQOSA-N 284.440 4.789 30 10 CJEE CCCCCCCCO[C@H]1CCCc2ccccc2[C@H]1O 110023419 MHGTXAOOUMZCBT-RBUKOAKNSA-N 290.447 4.802 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1ccccc1F 110067678 MKCZYULGFZIACN-SFHVURJKSA-N 293.426 4.606 30 10 CJEE CCCCCCCCCCNC[C@H]1Cc2ccccc2O1 110164619 WGFUCBUNNQMGML-GOSISDBHSA-N 289.463 4.720 30 10 CJEE CCCCCCC[C@H](O)c1ccc(F)cc1Cl 110446438 CVHWWBQKVQKAEA-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE CCCCCCCCCCCCNCCCN1CCCC1 113014090 LWMCWPBCRPMFFA-UHFFFAOYSA-N 296.543 4.983 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCCO1 114993754 ZOUGRJSKQKHFLT-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](N)CSc1ccccc1F 116676909 MXXTUATWKPVWCJ-ZDUSSCGKSA-N 269.429 4.606 30 10 CJEE CC(C)(C#N)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 118354263 IBDHACVRDXKPTJ-UHFFFAOYSA-N 296.317 4.630 30 10 CJEE CCCCCCC[C@H](NC(C)C)c1ccc(F)cn1 122512941 OYPWHYXNWMMGEQ-INIZCTEOSA-N 266.404 4.620 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 133249409 ZAGLRPSBADUPOZ-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@]1(C)CCCS1 135355272 MAHYLEVUZJCHTR-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE C=CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 156122928 WHSYNAKILFICQV-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE C=CCC[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 156322579 QPDHBCBPWANABS-CABCVRRESA-N 251.458 4.783 30 10 CJEE N#CC1([C@@]2(O)CCC[C@H](C3CC3)C2)CCCCCCC1 156818909 MEEDHPIVMUOBHY-FUHWJXTLSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCO[C@@H]1C 160152442 NKDBVAAZNPRBAZ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C(C)CC[C@@H](CSc1cccc(Cl)c1)NCC 164645173 CGQBMRSDHMAEAR-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CCCCCCC[C@@](O)(CC)c1cccc(F)c1 166819725 CMNWHIRRIKOWSH-INIZCTEOSA-N 252.373 4.784 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2c(s1)CCCC2 167721959 WRGSKNARIBRUCY-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCOc1cccc(/C=C\C(=O)O)c1 207656318 DPTARDXVJCMOSD-SEYXRHQNSA-N 290.403 4.914 30 10 CJEE C=C(CC)CC[C@H](CNC(C)(C)C)c1ccccc1 211889680 LDNUYPDLLHPGKD-QGZVFWFLSA-N 259.437 4.905 30 10 CJEE CCCCCCCOc1ccc(C#N)c(Br)c1 228200772 NLBBITRHHMNBRX-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE N#Cc1ccc(CNc2cc(F)ccc2Cl)c(Cl)c1 231818764 WLANPAKFHOKHMP-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C[C@H]1CC(OCCCCC(C)(C)C#N)C[C@H](C)C1 235640593 DIEFRCXNQPDAOH-ZIAGYGMSSA-N 251.414 4.548 30 10 CJEE CCCCN(CCCC)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 252437096 TWICXBPUEKINOI-OKZBNKHCSA-N 278.484 4.997 30 10 CJEE C[C@@H]1CC/C(=C/B2OC(C)(C)C(C)(C)O2)c2ccccc21 307669390 SGMGPZDOEIMXDT-NXXVSJRMSA-N 284.208 4.599 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCOCc2ccccc2)C1 309920446 VSVMFHSXFUSCGP-AEFFLSMTSA-N 271.404 4.703 30 10 CJEE CC(C)C[C@H](C)C[C@@]1(C#N)CCc2ccccc2C1 311297117 YFNRBGMUVVHKRV-YJBOKZPZSA-N 255.405 4.758 30 10 CJEE Cc1nc(C2(C#N)CCC(C(C)(C)C)CC2)sc1C 311380065 XGPTZBBBEOWLCH-UHFFFAOYSA-N 276.449 4.758 30 10 CJEE CC(C)C1CCC([C@@H](C#N)Nc2ccccc2F)CC1 312656485 UZHOMEKICDVSRV-MQBCKMQZSA-N 274.383 4.592 30 10 CJEE CCC1CCC(C=O)(Cc2csc(Cl)c2)CC1 317302940 XEYPUNNQHCZLKC-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCc3ccccc32)C1 317424234 ONDXWIJYQHUIHW-AYBZRNKSSA-N 270.416 4.892 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 317956851 JBENHXAYDBWGQO-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE N#C[C@H](Sc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 380624054 BLHKPAAUGDEKCC-ASHKBJFXSA-N 277.820 4.760 30 10 CJEE CCC(CC)(CS)COCCC1=CCCCC1 386326808 UXKKCZNVEMUSNP-UHFFFAOYSA-N 256.455 4.630 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@@](C)(C=O)c1ccccc1 405565749 VCWNFDWFCVZJBV-OCCSQVGLSA-N 272.310 4.512 30 10 CJEE Fc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)F 514260161 VVDQBPFLRXFBJD-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2ccccc2)cc1 609893440 HRNJWIHAVUXBFE-HNNXBMFYSA-N 299.377 4.793 30 10 CJEE CCCCCCCCC(=O)c1ccnn1CC1CCC1 687079216 KLBOGNWKGFPTTQ-UHFFFAOYSA-N 276.424 4.617 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc3sccc3c2)C1 691832457 BKNNXJZLIIGMTO-UHFFFAOYSA-N 256.370 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1ccc(O)cc1 692222317 TZZFRQKVSSUWOB-JLSDUUJJSA-N 273.420 4.568 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](OC)C1CCCCC1 695113604 MKGXUBIELBSKRL-SJLPKXTDSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCC[C@H](O)CNCC1CC1 695439656 NCPSHVZLZHNUNE-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCNCc1csc(COC)n1 696042520 XIRBGSYWSLCDJB-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE CCCCCCCCC[C@H](O)C12CCC(N)(CC1)CC2 697005006 PSZVKDNODVVQQW-AOCRQIFASA-N 281.484 4.540 30 10 CJEE C=CCCC[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C 698997243 PDIGLMXUOSLXCQ-VYDXJSESSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCOC2CCCCC2)C1 701400242 XWVWSSZMWDAQCB-WBVHZDCISA-N 266.425 4.511 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCOC2CCCCC2)C1 701412496 KBPVLDMKUPHFID-RDJZCZTQSA-N 263.425 4.836 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(OC(F)F)cc1 701919514 KAUNYWKIWUGGPI-GFCCVEGCSA-N 283.362 4.541 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(OC(C)C)cc1 701921340 UQBOWCNUJGXLEX-OAHLLOKOSA-N 275.436 4.727 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cccc2ccccc12)C(C)(C)C 705318859 YIQJGOZOISIGOD-KBXCAEBGSA-N 265.400 4.538 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708029148 QBRLFYDLXDXLRJ-BXUZGUMPSA-N 269.310 4.995 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(C(C)C)cc1 710573178 LDAGSDLLVHFSMK-INIZCTEOSA-N 265.828 4.993 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 715773657 ZYUHRRSHPBVDCJ-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@H](NCCC)c1cscc1C(F)F 717230553 BSROXTKAOSRQKY-LBPRGKRZSA-N 259.365 4.693 30 10 CJEE C[C@H](COCc1ccccc1)CC1(C#N)CCCCC1 719625694 RPPZOYISJBEHJL-INIZCTEOSA-N 271.404 4.703 30 10 CJEE CCCCCCCCC1(CNC)C[C@@H](C)O[C@H](C)C1 724292078 ZUYYMXQTGIXEPE-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(Cl)c(F)c2)CC1 724446142 CDYXWYBKBPCBAB-GFCCVEGCSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CC[C@H](CC)CC2)CC1 724603032 QRXUDWVDUJHAPY-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H]2CCCC[C@@H]2CNC2CC2)CC1 724618218 QWDULELQZYOFCJ-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CSCc1ccc([C@H](C#N)Nc2ccc(C)cc2)cc1 724738682 OPDSXPGFAFRWEB-KRWDZBQOSA-N 282.412 4.535 30 10 CJEE CC#CCC[C@@H](NCCC)c1cccc(C(C)(C)C)c1 821965129 KRGNEYJTVCEAFW-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CCC(C)=NNc1nc2c(C(F)(F)F)cccc2s1 1081369807 CEYKXEANIVXMIU-UHFFFAOYSA-N 287.310 4.513 30 10 CJEE Cc1ccc(C=Nc2cc(Cl)cc(Cl)c2)o1 1083984705 GZSCUJAIXBBKCG-UHFFFAOYSA-N 254.116 4.645 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1127385953 DJKQTDVVRUCQHB-CQSZACIVSA-N 286.415 4.772 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc(CC(C)C)c[nH]1 1155339688 CCWBQGJFCBVIHP-UHFFFAOYSA-N 296.414 4.584 30 10 CJEE C=C(CC(C)C)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 1158161504 OWKQLMYHEDLXAU-OALUTQOASA-N 299.458 4.679 30 10 CJEE C=CCCCN[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1192689559 ITMQZIKBSGDOKU-INIZCTEOSA-N 295.854 4.992 30 10 CJEE C=CCCCCCCCNC(=O)N1C[C@@H](C)CC(C)(C)C1 1251703021 NFVVLHPWISHPBT-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=CCC[C@@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 1258732888 RUGKPKWXOIKESK-OLZOCXBDSA-N 251.801 4.688 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1)C(CC)CC 1264510442 QGGWUCOWJJDACW-DNVCBOLYSA-N 287.447 4.882 30 10 CJEE C=C1CCC(C(=O)OCc2ccccc2CC(C)C)CC1 1289271609 PKMWOGIBEOBZBQ-UHFFFAOYSA-N 286.415 4.675 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@H](CC)c1ccc(C)cc1 1289491843 FTKUYTBECKGBRB-PKOBYXMFSA-N 299.458 4.836 30 10 CJEE C=C(CC)C(=O)Nc1ccc(OCCC)c(C(C)C)c1 1302960380 VHBYGZDGXIBAQD-UHFFFAOYSA-N 275.392 4.504 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1 1311299368 QZNNAHMXSVEOCZ-HUUCEWRRSA-N 286.419 4.762 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1355470346 NTMFACRWDADRIK-AWEZNQCLSA-N 291.394 4.799 30 10 CJEE C=C1CCC(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)CC1 1458715371 OPGONMTXLOXNOA-BEFAXECRSA-N 297.442 4.563 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2CCCC[C@@H]2C)CCCC1(C)C 1460030609 GKNPVTNUEANDPR-ULQDDVLXSA-N 263.469 4.879 30 10 CJEE C=CCCCC[C@H](C)NCc1ccc(SC)cc1 1462109578 INWIIZXDOXNMOD-AWEZNQCLSA-N 263.450 4.633 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCC[C@@H](C)C1 1462335560 USQHBBAJOXBVON-BHIYHBOVSA-N 271.448 4.590 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H]1CCCC[C@H]1CCC 1468599546 LBPRTIBDZOPRLG-SJORKVTESA-N 294.483 4.733 30 10 CJEE C=CCCC1(CNCc2c(O)cccc2Cl)CCCC1 1474207896 KGPVLJCMJNHTGM-UHFFFAOYSA-N 293.838 4.662 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](c1ncccc1C)C(C)(C)C 1474742295 QKUGLWQGECPAON-WBVHZDCISA-N 274.452 4.812 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CCC1CCCCC1 1519020603 XKZLZSJXZTWLLW-SJLPKXTDSA-N 291.479 4.940 30 10 CJEE C=CC[C@@H](C(=O)NCC1(CC(C)C)CCC1)c1ccccc1 1525857321 KSPDVNQVSWMZCM-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=C[C@H](CC(=O)O[C@H](C=C)c1ccccc1)c1ccccc1 1528631404 CGBMZGVVXOXDPP-VQIMIIECSA-N 292.378 4.817 30 10 CJEE C#CCCCC(=O)OCc1ccc(C2CCCCC2)cc1 1533827510 QPMRGTLOCCDVBR-UHFFFAOYSA-N 284.399 4.581 30 10 CJEE C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1 1536249952 XXJXYFYQZAAIMM-MSOLQXFVSA-N 299.458 4.774 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc2ccc(Cl)cc2n1 1560017333 GUBXKRYCRAEKJF-CALCHBBNSA-N 298.817 4.571 30 10 CJEE C#Cc1ccc(CNc2cc(C(C)(C)C)ccc2OC)cc1 1560376576 TUSHTHUNTKRAJU-UHFFFAOYSA-N 293.410 4.586 30 10 CJEE C#Cc1ccc(CN[C@@H]2CCC[C@H](C(C)(C)C)CC2)cc1 1560442625 ULCNHGFEXCZGHO-RBUKOAKNSA-N 283.459 4.753 30 10 CJEE C=CCC[C@H](CCC)NCC1CCc2ccccc2CC1 1560946379 SOEJAUZNZMGIBF-FQEVSTJZSA-N 285.475 4.906 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(F)cc1F 1584161420 LSAMJOKAPYRPQZ-UHFFFAOYSA-N 295.373 4.611 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(Cl)cc1 1584281622 BQODMAHUGGMVQF-UHFFFAOYSA-N 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C=CCCCCCCCS[C@H](C)C[C@@](C)(C#N)NC 2271513055 BNPOVVTVZYULCX-CVEARBPZSA-N 282.497 4.526 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CC(F)(F)C12CCC2 2271798253 OWSBIZYGMHHSNO-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@]23CCCC[C@H]2CC3)C1 2273512639 YXHJHABWCKYSDY-WMZOPIPTSA-N 261.453 4.681 30 10 CJEE N#Cc1cccc(CSCC23CCC(CC2)C3)c1F 2274349514 QRKQFWLDJJZTHE-UHFFFAOYSA-N 275.392 4.511 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H](CC)CCC 2276786007 WZDUGJKPFMFSBP-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1=CCCC1 2277052889 NIRXSGPDDDDWJV-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@](C)(CC(CC)CC)OCCN 2277179966 UPLHBNAUKFYSML-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC1(OCCCN)CCCCC1 2277377194 JYOIZARWIIDZTP-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CC1(C)CCC[C@](C=O)(CCc2ccc(F)cc2)C1 2277456568 UWQJKYSSWSFEGV-KRWDZBQOSA-N 262.368 4.544 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1CC[C@@H]1OC 2278170838 GKBSQRJXFJQOAE-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](O)C(C)(C)C 2278245623 WGFIUXYMTHMVMQ-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@@H]1CCC12CCC2 2281026341 WRUGHOWXIACPMS-HOTGVXAUSA-N 280.452 4.637 30 10 CJEE CCCCCC#CC[C@@H](C[C@H]1CCCC12CC2)NCC 2281328880 YVHRRTHWHIIAKM-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)o1 2284089022 NIKUYTNNWINOLR-CQSZACIVSA-N 293.838 4.970 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1ccc(C(F)F)cc1 2284108233 FDJBLPMMKPJEIJ-HNNXBMFYSA-N 277.358 4.620 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1c(C)cc(OC)cc1C 2286490443 IHFPBZFHULCYHF-FZKQIMNGSA-N 275.436 4.565 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc2c(c1)CCCC2 2287386605 XHOAXGZZCRIVGC-LJQANCHMSA-N 271.448 4.876 30 10 CJEE CN(CC1(CS)CCCCCC1)C[C@@]12CCC[C@H]1CC2 2289050854 VNIIKKBVJBKUEP-WMZOPIPTSA-N 295.536 4.769 30 10 CJEE CCCCCCCCCC(=O)C1(N)CC2(CC(C)C2)C1 2289183227 TXLASGBJDMWTMS-UHFFFAOYSA-N 279.468 4.604 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(CC2CC2)CCC1 2289721360 RGVQLFPUTNCOJT-SFHVURJKSA-N 273.464 4.519 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)C1CC(CC(C)(C)C)C1 2289980078 RQOQBNQHKWRNFC-BFWZDYSYSA-N 277.496 4.867 30 10 CJEE C=C(C)CC[C@@H](OCCC(=O)O)c1sc(C)c(C)c1C 2291452743 KXJVZVOQQJFYNF-CQSZACIVSA-N 296.432 4.562 30 10 CJEE CCCCCCCC[C@@](CCC)(OCC(=O)O)C1CC1 2291653594 POEYOYKNTRTAMS-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@H](OCCCN)C1(C(C)C)CC1 2292771528 SVMUSGSTPXRKJM-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1[C@H]2CCC[C@H]21)OCCN 2292993786 KEERNGBYSOSKJI-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@@H]1CC1(F)F 2293462996 JBNWBKUJDVHZFH-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)CC[C@H]2C[C@H]21 2293527363 JFGDPSFZYGMUPB-KSZLIROESA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](C)(C[C@@]1(C)C[C@@H]1C)OCCN 2293977269 CXEMDLZWDVDWLS-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@H](OCCN)[C@H]1CCCC[C@H]1CC 2294042430 QBEREIHOVALTLX-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](C)(CCC(C)C)OCCCN 2294043865 DVZMYGZMFBUNRD-GOSISDBHSA-N 281.484 4.521 30 10 CJEE O=C(C=Cc1ccccc1Cl)c1ccccc1Cl 2294299984 HTFGZLAHCFWVMO-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](O)C(CC)CC 2295667701 AOHBTIGAFCFVJO-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)CCC 2295683777 FXUHTNWNWPBBEH-SQNIBIBYSA-N 285.516 4.902 30 10 CJEE CC1(C)CC[C@@H](COCCCCCCCS)C1 2302781878 BGATVFRALZAJOW-CQSZACIVSA-N 258.471 4.710 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(CCC)s1 2302875629 KNPPAAWOXUPXEU-CQSZACIVSA-N 251.439 4.708 30 10 CJEE C=CCC(C)(C)C(=O)c1c(C)ccc(Cl)c1F 2304085530 FIFOPXWUFKRXMD-UHFFFAOYSA-N 254.732 4.573 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(C)s1 2313528914 IXEYBWTWYCYQTB-AWEZNQCLSA-N 281.490 4.571 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC(C)(C)[C@H]1NCCC 2313531901 OZMNHKVPUFNWIM-KKUMJFAQSA-N 269.498 4.631 30 10 CJEE C=C([C@H](O)CCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2318638757 GEHTZHBVUAIPHV-CQSZACIVSA-N 287.230 4.889 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2320100354 CHHZDUJPWMDQLY-JONQDZQNSA-N 251.458 4.639 30 10 CJEE CC1=C(C)C[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 2320375553 UHJXYVHDXJGWRH-ZDUSSCGKSA-N 260.768 4.512 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H](C)C1CCCCC1 2321115560 GCOKADWYNHJKGB-PVAVHDDUSA-N 251.458 4.913 30 10 CJEE CCCCN(C[C@@](C)(CS)C(C)(C)C)[C@H](C)CC 2327103425 ODFDWEGNFDSLIT-ZBFHGGJFSA-N 273.530 4.869 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C#N)c(SC)c1 2328525974 PJEHNJLJCALIRX-ZDUSSCGKSA-N 262.422 4.661 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(C)cc1 2335102928 DWEBOIMHKCUHBG-DOTOQJQBSA-N 277.477 4.734 30 10 CJEE C=C(C)CCCC[C@@H](N)c1c(F)cc(OC)cc1Cl 2338707676 JBCXLIJIDRJWMN-CQSZACIVSA-N 285.790 4.624 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](CC)CC(F)(F)F 2338732816 MJAKUAFTFKZNGI-JSGCOSHPSA-N 277.374 4.712 30 10 CJEE CCSc1cccc(N[C@H]2CC(C)(C)[C@@H]2C)c1C#N 2340663925 UFUNIRKMBJRREK-RISCZKNCSA-N 274.433 4.517 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)[C@@H]1CCC2(CCCC2)C1 2344344807 UHCWXKBYRVLKKV-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 2344349152 QJJOYHCDARYDFH-JCECYMMASA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2344464163 IQTHGRQEQGYVSD-ULQDDVLXSA-N 264.453 4.946 30 10 CJEE C=CCSc1ccccc1N[C@@](C)(O)CCCCC 2349381087 MDDJPAOGTJYETN-INIZCTEOSA-N 279.449 4.665 30 10 CJEE CSc1cc(N[C@H](C(C)C)C2CCC2)ccc1C#N 2353826840 WRXZLIKNKCFMDK-MRXNPFEDSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354878944 FBEGNACKMJEBGJ-WNRNVDISSA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCc2ccccc2[C@@H]1NC 2360335389 AMGDPOYTFOOMSD-MSOLQXFVSA-N 287.472 4.516 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 37256604 VHRMVJFLKNGKIV-PWSUYJOCSA-N 282.309 4.568 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@@](C)(C#N)NCCC 45323927 WYUCZLKQXJNACQ-MSOLQXFVSA-N 296.499 4.814 30 10 CJEE Cc1cc(C)cc(OCC[C@H](C#N)c2ccc(F)cc2)c1 57685731 PTQHKVICSJAAKG-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE Cc1cc(C)c(C[C@@H](C#N)c2ccccc2F)c(C)c1 57760675 IYHNLZMLVOGZQX-HNNXBMFYSA-N 267.347 4.601 30 10 CJEE CCCCCCCCO[C@@H]1CCCc2ccccc2[C@@H]1N 59083756 SGBAYDGRXRJYBU-MOPGFXCFSA-N 289.463 4.768 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)CCC2CCCCC2)cc1C 61681983 DUVVDZUQKUYTST-SFHVURJKSA-N 283.415 4.840 30 10 CJEE CCc1oc(-c2cccc(O[C@H](C)CC)c2)cc1C#N 77076999 IUAQFYSZXMIRRW-GFCCVEGCSA-N 269.344 4.558 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@H](C(C)C)CC2)cc1 86949120 ZLJIZHQQTPPRNR-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OC[C@@]2(C)CO2)cc1 90824714 GSAWHRAXXDUQOI-SFHVURJKSA-N 276.420 4.568 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2ccc(C)c(C)c2)C1 91878590 XIXDVGIBJWSUNI-QRQLOZEOSA-N 285.431 4.621 30 10 CJEE C=CCC[C@@H](NCC)c1cc2cc(F)ccc2s1 97220936 DNCCSCJRFRPEFV-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CCc1ccc(-c2nc(C(C)(C)C)c(CC#N)s2)cc1 98113974 QAQSCIXOPUCAOJ-UHFFFAOYSA-N 284.428 4.736 30 10 CJEE CCCCCCCC[C@H](O)C1(c2ccccc2)CC1 109714811 CPRGJAQZRVBIFC-KRWDZBQOSA-N 260.421 4.830 30 10 CJEE Cc1ccccc1N(C)c1ccc(C#N)c(C(F)(F)F)c1 110257534 WJSWOOPZFTYTRR-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE CCCCCCCC[C@@H](CN)Cc1ccccc1F 110464798 MRSUHPKPUCMBDE-OAHLLOKOSA-N 265.416 4.694 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)c1ccc(F)cc1C#N 111036695 JINIYXMWWOPNNZ-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCCNC(=S)Nc1ccc(Cl)cc1 112059930 IFWAZJITVXSGBI-UHFFFAOYSA-N 284.856 4.597 30 10 CJEE CCCCCCCCCCN1C[C@H](CCC)NCC1(C)C 114059261 CQNDPHMBCHHGQA-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@@H](CO)c1ccccc1Br 118663950 KLARMCGHIDVKQS-ZDUSSCGKSA-N 299.252 4.886 30 10 CJEE CCCCCCCC[C@H](CN)c1ccccc1F 118863196 LTYUKEOOEXMVMJ-CQSZACIVSA-N 251.389 4.619 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc2c(s1)CCCCC2 122849406 QUFPKYYBRQEFBX-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CCCCCCCN1CCC[C@H](NCC)c2ccccc21 123011755 KRYMKJKPICRPAG-SFHVURJKSA-N 288.479 4.908 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)CCO[C@@H]1C 125649666 QTJYIRAWSKJMHK-SJLPKXTDSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](NN)C(C)(C)c1ccc(F)cc1 126545140 CLBASSUMQCHCJR-KRWDZBQOSA-N 294.458 4.686 30 10 CJEE CCCCCCCC[C@H](NCC)C1C[C@@H]2CC[C@H](C1)N2C 129321173 QYRPAJAJMPLBNI-IPQPSQTFSA-N 294.527 4.588 30 10 CJEE N#CC[C@H](C(=O)c1cccc(C(F)F)c1)c1ccccc1 132017635 CFLPTTBQIZWUTC-HNNXBMFYSA-N 285.293 4.504 30 10 CJEE O=CCCCCCCOc1ccc(-c2ccccc2)cc1 141082315 YXFQOXUPHYHNJY-UHFFFAOYSA-N 282.383 4.882 30 10 CJEE C=CCC[C@@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 156329662 APLUMKNKXJITRQ-HZPDHXFCSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](N)c1cc(F)c(Cl)cc1F 158027798 MLLMSVKQQKBATE-AWEZNQCLSA-N 275.770 4.979 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1SCCS[C@H]1C 162185046 NVHAJPULILNJKM-KKUMJFAQSA-N 289.554 4.562 30 10 CJEE C[C@@H](NCc1ccccc1C#N)c1ccc2ccccc2c1 182270760 YGZTZGRPYCKCNQ-OAHLLOKOSA-N 286.378 4.562 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2c(c1)C(C)(C)CO2 228532299 BQMMOQCDVURCBU-MRXNPFEDSA-N 276.420 4.751 30 10 CJEE C=CCCC[C@H](NC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229373807 PKLVFWVWOCUMLL-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE C=CCCCCCOc1ccc([C@H](C)NCC)cc1C 233548166 HXSGTSHWBDTMCF-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@@H]([C@H](C)CC(=O)O)C1 250826087 NSWIBYYJCUMGTR-IXDOHACOSA-N 297.483 4.558 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1NCC 250827607 OQYYCGVQRQFJRX-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1[C@@H](C)CC 250836583 VHXSOFIWHGLARZ-OKZBNKHCSA-N 296.543 4.691 30 10 CJEE CC[C@@H]1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1 251820049 ZNEVIDKDZYOZIM-SWGFEDQBSA-N 282.339 4.729 30 10 CJEE CC(C)(CS)c1ccc(Oc2ccccc2)cc1 259427532 ZHZGTMPIIDYASH-UHFFFAOYSA-N 258.386 4.686 30 10 CJEE CCc1ccc(Nc2cccc(SC)c2C#N)cc1C 312402325 MIYNQLHSRSAKIA-UHFFFAOYSA-N 282.412 4.895 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ccc3ccccc3n2)C1 312518547 BGPSLFYUEZXMTI-KDOFPFPSSA-N 264.372 4.596 30 10 CJEE C=C(C)CC[C@]1(CNCCC)CCc2ccccc2C1 317610465 LRROHLWHIZOXOI-IBGZPJMESA-N 271.448 4.518 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)C[C@H]2CC[C@H]1O2 318044136 JLQKDVCGXBABNT-KURKYZTESA-N 281.484 4.673 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cccc2ccccc12 379909498 OPTZFTYBJCZXGZ-GOSISDBHSA-N 265.400 4.540 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCCC[C@H]1C 385023872 OWBUCCPIPPURQZ-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H](C)c1ccc(C)s1 387341699 XDSPGFFLDYNBKM-ZDUSSCGKSA-N 285.522 4.786 30 10 CJEE CC[C@H](CC#N)Sc1cc(Cl)cc(Cl)c1 389648522 UTTIJKKNJBPBKJ-SNVBAGLBSA-N 260.189 4.778 30 10 CJEE C=CC[C@@H](CC)N[C@H](c1ccc(Cl)cc1)C1CC1 393759357 ZETVDPJOFSZOQQ-CVEARBPZSA-N 263.812 4.735 30 10 CJEE C=CCN(c1cccc(Cl)c1[C@H](C)NCCC)C1CC1 394248927 SLMPEIQWMMCXFC-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE CCCCCCCCC(=O)CCC[C@@H]1CCOC1 401027747 AYALFCSYBOAFSG-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H]2C[C@@H]2C1 403868098 YFTKCIRMOHAFKT-MLHJIOFPSA-N 280.500 4.785 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccccc2C)c(Cl)c1 404770741 ZBLJETNGQNGPOJ-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=CCCCN(C)Cc1ccc(-c2ccccc2C#N)cc1 573098972 XZDYRGKTIVJVIJ-UHFFFAOYSA-N 290.410 4.623 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H]1C 686467235 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284.532 4.822 30 10 CJEE CCc1cscc1-c1nc(-c2ccc(C#N)cc2)cs1 2153589797 MJFUHSKREXPTOF-UHFFFAOYSA-N 296.420 4.973 30 10 CJEE Cc1cc(NCc2ccc(C#N)c(F)c2)c(C)cc1Cl 2154467559 YUKNBOKMEJQRHK-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CC(C)[C@H]1CCC[C@](N)(CC#CC2CCCCC2)CC1 2154708865 OOEJKCFWZHWUGE-RBUKOAKNSA-N 275.480 4.894 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]1(C)CCCN1C 2154946822 MEAWZIDRSVCWSV-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@](N)(CC)C(F)(F)F 2156610193 CDKWORSKXNDXCX-ZIAGYGMSSA-N 297.405 4.548 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](O)C12CCC(C)CC2 2157070908 BVNCHTUXLRZPAP-SAGYGOJTSA-N 282.468 4.693 30 10 CJEE CC1(C)CCC[C@@H](CN=C2NC[C@H](C(C)(C)C)S2)CC1 2157113247 RRNDOPQGFLPXJX-ZIAGYGMSSA-N 296.524 4.700 30 10 CJEE CC1(C)CCC[C@](C#N)(Cc2nc3c(s2)CCC3)CC1 2157115212 UGEPFOWORNLZPV-QGZVFWFLSA-N 288.460 4.675 30 10 CJEE C=C1CCC(N[C@@H](C)CC(C)(C)c2ccccc2)CC1 2157440881 JXPDPXFTRQMXDD-INIZCTEOSA-N 271.448 4.831 30 10 CJEE CC[C@@H]1CCC[C@@H](CN=C2N[C@](C)(C(C)C)CS2)CC1 2159517143 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BLKDHPOLWMPSAS-SECBINFHSA-N 267.159 4.813 30 10 CJEE CCCCCCCNC[C@H]1CC[C@@H](C(F)(F)F)C1 2253840640 SPXVIBWSHCYJHK-QWHCGFSZSA-N 265.363 4.525 30 10 CJEE C=C(C)CCCC[C@H](N)Cc1c(Cl)cccc1Cl 2259196584 LQFFGNWTSOXNNB-LBPRGKRZSA-N 286.246 5.000 30 10 CJEE C=C(C)CCCC[C@@]1(O)CCCC[C@H]1C(F)(F)F 2259233083 JQLJLLSSJHAVAZ-CHWSQXEVSA-N 264.331 4.607 30 10 CJEE C=C(C)CCCCC(=O)CSc1ccc(F)cc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c1cccc([C@H](N)CC=CC#CC(C)(C)C)c1Cl 2268815875 KEFIDLJACVMGJS-OAHLLOKOSA-N 275.823 4.644 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1c(F)cccc1F 2271837879 YTNIPAHEVKJYIS-HNNXBMFYSA-N 267.363 4.752 30 10 CJEE CCCCCCCCCC(=O)[C@@]12C[C@@H](CO1)C2(C)C 2273582545 HPSFAXDHEFTQLA-WMLDXEAASA-N 266.425 4.511 30 10 CJEE CCCC[C@H](CC)[C@H](C#CC1CCCCC1)NCC 2274059054 HZDSMMLHHHPCCD-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CCN[C@H](C#CC1CCCC1)CC1CCCCCC1 2274075819 ZXOXTFGTXOERSR-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CN[C@H](CC#CC1CCCC1)C[C@@H](C)CC(C)(C)C 2274119132 AFBAANFVXQGQBO-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE C[C@H](CC(C)(C)C#N)N[C@H]1CC(C)(C)CCC1(C)C 2274550543 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2292876585 RJFULMHRPBVULR-FGTMMUONSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@]1(C)CC=CCC1 2293369725 XUBYIYVNFRBERF-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCCCCC12CC2 2293893193 OKIOGYUYHQGYRY-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@@H](CC#CC(C)(C)C)OCCCN 2294039819 VMZARPQDAIILJE-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc2c(n1)CCCC2 2294870012 JUXDAZAGMLIZAL-GOSISDBHSA-N 275.436 4.528 30 10 CJEE CC(C)CC1([C@H](N)C#Cc2ccccc2Cl)CCCC1 2295208112 ANMPQZZLCKJGPS-QGZVFWFLSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nc(CCC)ns1 2295592322 PNCGQMWFKZAFCT-INIZCTEOSA-N 298.496 4.839 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)CN1CCCC1 2295677008 AAEINEXSSRNKGB-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CCC[C@@H](NCC)[C@](C)(O)CCCCCCCCC 2295680249 XHJQEXNMIVJLKX-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1C#N 2298941388 CVCMLGLZRNGGCW-UHFFFAOYSA-N 263.793 4.825 30 10 CJEE CCC#CCOc1ccc(Br)cc1C(C)(C)C 2302333434 FWXSCOZTEZNPQJ-UHFFFAOYSA-N 295.220 4.539 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C#N)c2ccccc12 2313693859 AYVIUBNTYQNKHF-GFCCVEGCSA-N 253.370 4.768 30 10 CJEE Cc1ccccc1N=C1NC(=O)SC1=Cc1ccccc1 2314578268 JAFBCMGXTMTEOW-UHFFFAOYSA-N 294.379 4.523 30 10 CJEE C=CCC(CC=C)[C@@H](O)Cc1cc(Cl)ccc1Cl 2316728314 DUIQGIOZXHNBED-HNNXBMFYSA-N 285.214 4.665 30 10 CJEE C=C(C)C[C@H](CCC(C)(C)C(F)(F)F)NCCC 2319291235 PNTAWFAZLKMTMW-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=C[C@@H](C)CC(=O)CCCCC(F)(F)C(F)(F)F 2319576601 LMSDBDKXHUMZPE-SECBINFHSA-N 272.257 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@H]1CC1(C)C)NCC 2321098386 JJEKDCFSZBRXKM-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@H]1C)NCCC 2321104236 DQXCNPRXJARNHH-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H](C)C(F)(F)F)NCC 2321117281 NTPTWMCJKIRXJN-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]1C1CCCC1 2332754705 DURPEDUNWODQTM-VSZNYVQBSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)Sc1cc(F)cc(CNCC)c1 2335240104 ZMSMJTNDHOINQK-UHFFFAOYSA-N 279.424 4.548 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccc(C)cc1 2337108132 BKCGKLNOPYODMW-NJAFHUGGSA-N 257.421 4.781 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCCC[C@@H]1C 2338726377 ZWVSKKROQOKWAF-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CCC[C@H](C)O1 2341296017 MYPCRLFASOORAB-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=C(C)C[C@@H](CC1CC2(C1)CC1(CCC1)C2)NCC 2341931785 SWFYTDAGRDRARV-INIZCTEOSA-N 261.453 4.681 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2344336982 NGWYZXREYIWXCC-IECFSIQFSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(C(C)(C)C)cc1 2344337262 PCTSKHSJNPCWDB-SJLPKXTDSA-N 259.437 4.976 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(F)ccc1C 2344343572 OXFIYDQUKABNCI-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(F)c(C)c1Cl)NCC 2344345501 NKNPWUYSEONEMG-NHYWBVRUSA-N 283.818 4.520 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C(F)F)o1 2344371797 MXDVQXOWWUWWPM-CYBMUJFWSA-N 271.351 4.860 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)c(F)cc1F 2344372778 VPDHIEHSICDEKN-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C(C)(F)F)cc1 2344475745 WPGDWXQWEIPHCP-HUUCEWRRSA-N 268.347 4.824 30 10 CJEE CC(C)[C@@H]1CC[C@@H](N(C)C[C@@](C)(CS)C(C)(C)C)C1 2352098373 MJUYJVJAXJMERJ-INMHGKMJSA-N 285.541 4.725 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)NC[C@H](C#N)C2CC2)c1Cl 2353022669 GPPWTJSEJLSNSJ-PWSUYJOCSA-N 297.229 4.502 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2357718484 SUMSFJLOJDDMKS-INDMIFKZSA-N 275.480 4.927 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359088798 YDKCMROAKUIBKU-NNCLKIPCSA-N 275.436 4.692 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC1(F)F)OCCCN 2360460155 AHJPDPUYKBJIPC-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE O=C(/C=C\Sc1nc2ccccc2s1)c1ccccc1 12367745 UTYGJGNGNXEFFV-KHPPLWFESA-N 297.404 4.785 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)s1 14456371 RCFMVVTZNHLKTO-QIIPPGSGSA-N 292.407 4.755 30 10 CJEE CC(C)(C)Cc1ccc(OCc2cccc(C#N)c2)cc1 31944173 WVVVIYDLIDXVKO-UHFFFAOYSA-N 279.383 4.726 30 10 CJEE C(#Cc1ccc(-c2cccs2)s1)c1ccccc1 34301063 WWHPIYBJGGQVOO-UHFFFAOYSA-N 266.390 4.876 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154470 BKUSSSRRUUQCPS-SQWLQELKSA-N 259.418 4.806 30 10 CJEE N#Cc1ccccc1N[C@H]1CCCC[C@@H]1c1ccccc1 37203042 XDYAZHKNNVFXMF-MJGOQNOKSA-N 276.383 4.697 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 37935544 QWOSRAPBFYFUIF-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CC)Nc1ccccc1Cl 37938139 HAEFERUFEYVBBJ-SWLSCSKDSA-N 264.800 4.860 30 10 CJEE C(=N/c1csc(-c2ccccc2)n1)\c1ccccc1 48524557 IIGVTEMOQJLXHO-GZTJUZNOSA-N 264.353 4.561 30 10 CJEE N#C[C@H](Cc1ccccc1F)c1cccc2ccccc12 57740911 WJTPQYJXVFCDHR-INIZCTEOSA-N 275.326 4.829 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)Cc1ccccc1C 57741696 PMDTYTDABLHTCY-CQSZACIVSA-N 285.774 4.507 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(F)cc1F 59290924 MFOBVJVIFMNPNZ-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)CC1 86954387 CJMOTGWJZVLOFT-CVEARBPZSA-N 270.420 4.965 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc3ccccc23)C1 91881222 WSLTUSWCDXIJBV-ZMYBRWDISA-N 279.383 4.593 30 10 CJEE CC(C)C1CCC(C#N)(C2(O)CCC(C)(C)CC2)CC1 91886224 RDYKPNZDPVKXOQ-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC/C=C/CS 94584406 PFDNMSVDBKJZKW-SNAWJCMRSA-N 270.825 4.637 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(CC(C)C)C2CCCC2)C1 94848691 RRSGUAZJZUOAEF-JFIYKMOQSA-N 276.468 4.605 30 10 CJEE CCCCCCCCOc1ccc(C(=O)O)cc1Cl 101005832 RUMWWHLGSZEETN-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCCCCCCC(=O)C(OCC)OCC 101745737 UOWSYFQDAOTMQY-UHFFFAOYSA-N 286.456 4.876 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1NCCC 103976080 QHKYIDPISKXNLR-YESZJQIVSA-N 269.473 4.530 30 10 CJEE O=C(/C=C\Nc1cccc(Cl)c1Cl)c1cccs1 105078660 MNZPVCBZHIXGTC-SREVYHEPSA-N 298.194 4.863 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(OC)c(C(C)C)c1 107518415 ZGNMXOMAWAVVPS-CABCVRRESA-N 258.405 4.972 30 10 CJEE CCCOc1cc(C)c(Cl)cc1C[C@@H](C)CS 107621920 SAFCIKPVVJPXGF-SNVBAGLBSA-N 272.841 4.546 30 10 CJEE CCCCCCCOCc1ccccc1Br 109315204 XECRMVZHYGALRY-UHFFFAOYSA-N 285.225 4.936 30 10 CJEE CCCCCCCCCCOc1ccc(C(N)=S)cc1 110271103 VWSXCVZBOHXJBV-UHFFFAOYSA-N 293.476 4.840 30 10 CJEE CCCCCCCOc1ccc(C)cc1C[C@@H](N)CC 110518757 MEPLDXMDIBZOJA-KRWDZBQOSA-N 277.452 4.624 30 10 CJEE CCCCCCCOC(=O)c1cc(Cl)nc(Cl)c1 111678699 UZDUVRIUXCGFIK-UHFFFAOYSA-N 290.190 4.516 30 10 CJEE CCCCCCCCCCCCn1nccc1CNC 112933932 AVFBISXJJZDCPU-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](C2CC2)C1 114054676 FCQVJIYUHIQDBF-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NCC1(C)C 115241419 ZMGRWHISIUPNON-SFHVURJKSA-N 282.516 4.590 30 10 CJEE C=CCCCNc1ccc(Br)c2ccccc12 123128214 IFYFCWUZYXVQBF-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE Cc1ccccc1[C@H](C)Nc1cc(C#N)ccc1Cl 125732555 IIFSHZBOLGVEQP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC(C)Cc1ccc(CNc2ccc(F)cc2C#N)cc1 126309652 AMPCWAOPLPVLMO-UHFFFAOYSA-N 282.362 4.508 30 10 CJEE CCCCCCCCCCCC(=O)c1c(OC)cnn1C 126573956 LAOPVVJAMAMACE-UHFFFAOYSA-N 294.439 4.532 30 10 CJEE C=CC[C@H](NCCC)c1cc2cc(Cl)ccc2o1 128082062 NGYVRGGCXMJHHS-ZDUSSCGKSA-N 263.768 4.703 30 10 CJEE CCCCCCCCC[C@](N)(CC)c1ccc(F)cn1 128839716 IGGSPEDQXUALIO-QGZVFWFLSA-N 280.431 4.925 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccncc1Cl 139449828 GDYZUQWDWGTRTJ-OAHLLOKOSA-N 268.832 4.876 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccncc1C 167666784 DDHUJNJJASWZOG-KRWDZBQOSA-N 262.441 4.921 30 10 CJEE C[C@H](NCCCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 181517756 SCRZIHNSAFTOED-NSHDSACASA-N 299.245 4.974 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]1c1ccccc1 185218882 FTZRSGDHVDTCOX-FUHWJXTLSA-N 285.431 4.733 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(CC(C)C)C2CC2)C1 222799813 QYSJOEHOBGGVFO-NUJGCVRESA-N 290.495 4.851 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCN[C@H]1C 226688528 MUCQGUOWBFMKBU-DLBZAZTESA-N 281.484 4.865 30 10 CJEE C[C@H]1C[C@@H]1c1ccc([C@@H](O)C2(C#N)CCCCCCC2)o1 227042425 CSPXMIZKFGMFCX-GRDNDAEWSA-N 287.403 4.691 30 10 CJEE N#Cc1cccc(Oc2ccc(Cl)c3cccnc23)c1 227634120 MCSHURKNHJCILN-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCCCC[C@@H](N)COC(C)C 228671721 QWOFQQGXCOAAFV-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCCC[C@H](COC(C)C)NC 228674433 YFBGHEOGVDNEJA-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H](O)c1ccccc1OCCC 228894465 LFLUVKFEYYPMDT-MRXNPFEDSA-N 264.409 4.869 30 10 CJEE Cc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C#N 232763005 QQLFSXQMXNMTBH-DDUZABMNSA-N 270.420 4.739 30 10 CJEE C=CCCCCC[C@@H](CSCCC)NCCC 233124172 SFZJXEXVXMQMHX-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccc(C)nc1C 233124719 VGVPSHLYQUPSQO-SFHVURJKSA-N 274.452 4.876 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CCCc2ccccc21 234454252 ZAHUVEFLIRRBSQ-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@H]1CCCCC[C@@H]1C#N 251790210 VPIWSAJUNPTTOK-UNEWFSDZSA-N 290.838 4.805 30 10 CJEE Clc1ccc(C=Nc2cccc(Cl)c2)cc1 254877245 NNWYYLJSAVGNSF-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(Cl)cc2Cl)CC1 304393033 MWRHALIFNLENNZ-SECBINFHSA-N 269.171 4.923 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1csc(Cl)c1 310561777 KADSLLVGLYOOMJ-JTQLQIEISA-N 257.830 4.654 30 10 CJEE CC[C@H](C)c1ccccc1Oc1nc(Cl)c(C#N)s1 311779046 INQGWCJBDKILLV-VIFPVBQESA-N 292.791 4.974 30 10 CJEE C=CCCCCCCNCc1ccccc1C1CC1 311864689 RRGOZKHXIHUGDW-UHFFFAOYSA-N 257.421 4.790 30 10 CJEE CC1(C)CCC(C=O)([C@@H]2CCOC3(CCCC3)C2)CC1 316941000 ZSMMPZZQYSRVQR-OAHLLOKOSA-N 278.436 4.511 30 10 CJEE O=CC1(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CCCCCCC1 316978943 ODOCPNABOJJVCB-IXDOHACOSA-N 278.436 4.654 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@]2(CCC[C@H](CC#N)O2)CC1 382266865 OSNPZZBYKIZFTM-INMHGKMJSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCN[C@@H](C)c1cccc(O)c1 383771412 UUUPJSRBVJBYKF-HNNXBMFYSA-N 263.425 4.793 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1Cc2ccccc2S1 384912293 YQYZJDZFWBKKAY-UKPHBRMFSA-N 271.429 4.814 30 10 CJEE CCCCCCCCCC/N=C1/N[C@H](C)[C@H](CC)S1 386860530 JKTRFIASVANUNE-CABCVRRESA-N 284.513 4.987 30 10 CJEE C=C(COCCC)[C@@H](NCC)C1(CC(C)C)CCCC1 387519365 JZGRMTZEJSMABN-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@@H](C)C(C)(C)C)CC1 388550319 VISNQLZCLQGHCT-GJEMEMOUSA-N 265.441 4.530 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cc2c(s1)CCCC2 393830507 VJJSDALSXPPYIV-GXTWGEPZSA-N 263.450 4.632 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H](C)C(C)C 399615595 JFXJGXLWRBFRMP-HNNXBMFYSA-N 273.530 4.727 30 10 CJEE CCCCCCCCC(=O)CC(F)(F)C(F)F 400522827 RNDXABKMEUDLQQ-UHFFFAOYSA-N 256.283 4.597 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1c(Cl)cccc1Cl 400875630 UJMBGQGDWOWOAE-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE C#CCCCCCOCc1cc2ccccc2nc1Cl 686289152 QHDIRLJAUYJHSG-UHFFFAOYSA-N 287.790 4.598 30 10 CJEE CC[C@@H]1CCC[C@H](/N=C2/NC3(CCCCC3)CCS2)C1 687318001 FXEYQQSKFKBXOQ-CABCVRRESA-N 294.508 4.741 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H](CC)CC(F)F 688744427 ASJGNJCALJLWSH-STQMWFEESA-N 261.400 4.638 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CC12CCOCC2 690059484 NNWFJLXIKXSSAF-SJORKVTESA-N 282.468 4.695 30 10 CJEE CCC(F)(F)C(C)(C)COc1ccc(C#N)cc1Cl 691068729 LHOPVJLNVGQYGD-UHFFFAOYSA-N 287.737 4.662 30 10 CJEE CC(C)[C@H]1CCCCC[C@@H]1Nc1ccc(CC#N)cc1 691132859 CNOIJNIFEMINOP-MSOLQXFVSA-N 270.420 4.769 30 10 CJEE C=CC(C)(C)CCNC1CC(C)(C)CC(C)(C)C1 701856370 RSHQRGHHJVWMOP-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE Cc1cc(C#N)ccc1Oc1cccc(Cl)c1C 702672524 XKPGEOWOKQAZMD-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CCC3(CCC3)O2)CC1 712508317 GGJZLCXHNJVZSK-AQFXKWCLSA-N 278.436 4.510 30 10 CJEE C[C@H](CC(C)(C)C)/N=C1/NC2(CCCCCCC2)CS1 713260130 XWPJDHCPVDWGHG-CQSZACIVSA-N 296.524 4.987 30 10 CJEE Cc1ccc([C@@H](C#N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C 719376656 KCSXEJYGCWWVLR-XLQHLMKVSA-N 255.405 4.983 30 10 CJEE O=CC1(CCc2cc(Cl)cc(Cl)c2)CCCC1 722136569 NCKARHMJXLKUAI-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE C[C@@H]1CC(C#N)(Cc2csc3ccccc23)C[C@@H](C)O1 724293243 VMUBGSVFHXJNDJ-CHWSQXEVSA-N 285.412 4.541 30 10 CJEE C=C1CCC(C[C@H]2CCC[C@@H]2CNCC(C)C)CC1 724615409 GBWMWDUXJRNFLR-QZTJIDSGSA-N 263.469 4.785 30 10 CJEE CCCC1(C/N=C2/N[C@@H](C3CCCCC3)CCS2)CC1 725102373 AAMOGBXLKKILIU-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(SC)cc1 821227306 QDRYYPMOCMRBGS-ISLYRVAYSA-N 285.412 4.739 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 823698443 SZNROIKMEPQJHT-QFBILLFUSA-N 295.426 4.509 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 1128197025 CZYRGNWFPPAHAQ-LPHOPBHVSA-N 299.458 4.605 30 10 CJEE C=C(C)CCC(=O)N(CC(C)C)[C@H](C)c1ccccc1C 1128843464 ZJEDMGOOTZQHDR-QGZVFWFLSA-N 287.447 4.897 30 10 CJEE C=CCN(C(=O)CCCCCCCC)C(C)(C)C 1131324593 MFOIKNWSVLVPQM-UHFFFAOYSA-N 253.430 4.550 30 10 CJEE CCCCCCCCCCN1CCC(C)(N(C)C)CC1 1175402088 ZDDLGRSNJPZCFR-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE C=CCC1(CNc2ncc(C#N)c3ccsc23)CCCC1 1186431185 KBEJOKLDQRMKEN-UHFFFAOYSA-N 297.427 4.716 30 10 CJEE C=CC[C@H]1CC[C@H](NCCOc2ccc(C(C)C)cc2)C1 1199571043 GDSUUJMHVODBEY-WMZOPIPTSA-N 287.447 4.523 30 10 CJEE C=CCC1(NC(=O)Nc2cccc(C)c2Cl)CCCC1 1201171981 TZSRJPLLZZLECH-UHFFFAOYSA-N 292.810 4.659 30 10 CJEE C=CC[C@H]1N(C(=O)Nc2ccccc2C=C)CCCC1(C)C 1219814700 IVHTUHXPIXFRJW-QGZVFWFLSA-N 298.430 4.928 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@H](C)C(C)(C)C 1251609573 XPSBQSKLLOQRKH-OAHLLOKOSA-N 282.472 4.637 30 10 CJEE CCCCC[C@H](CC)N[C@H](C)c1ccc(C#N)cc1 1258430013 HIARIABAGHMQFX-PBHICJAKSA-N 258.409 4.568 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C\C1CCCC1)c1ccccc1 1266421974 VAXDMBSUBCWGCO-KGUUONHRSA-N 283.415 4.557 30 10 CJEE C=CC[C@H](C)N1CCC([C@H](F)c2ccccc2F)CC1 1307754960 APIOGSBFWYOTPS-GUYCJALGSA-N 279.374 4.513 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc2cc(OC)ccc2o1 1308461720 FZYBNEBUZGJBJP-KDOFPFPSSA-N 299.414 4.666 30 10 CJEE C=CCCCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 1308705254 VDOLGDARRFIORQ-CYBMUJFWSA-N 285.353 4.755 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H]2CCCc3ccccc32)CCCC1 1349218540 PJTSHWKICFEAAA-GOSISDBHSA-N 297.442 4.659 30 10 CJEE C=CCC1(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CCCC1 1436233411 FYLXDFGJSCICDW-CABCVRRESA-N 279.468 4.557 30 10 CJEE C=CC[C@@H](C(=O)NCCCCC(C)(C)C)c1ccccc1 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271.404 4.556 30 10 CJEE CC(C)=CCC[C@@H](C)CCOCCC#CBr 2243950482 MHXGJRBTTKHIMS-CQSZACIVSA-N 287.241 4.522 30 10 CJEE C=C(C)CCCCNc1cc(F)ccc1Br 2244628887 RHVNPNPITUEFNL-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C=C(C)CCCCNc1ccc(F)cc1Br 2244653260 UITWUOOJOLVXFD-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C=CCCC[C@H](CC[C@@H]1CCC[C@H](C)C1)NCC 2253933722 DQRFQNIEEAMSSO-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@H]1CC(F)(F)C12CCC2 2254959039 IRWJCDGNPHTHCH-FRRDWIJNSA-N 253.336 4.532 30 10 CJEE CCCCCCCC[C@@](C)(O)c1c(C)nsc1C 2255085831 JRXOQVLHRSVYRC-OAHLLOKOSA-N 269.454 4.718 30 10 CJEE C=CCCC[C@@H](NCCC)c1csc(Cl)c1OC 2256829287 BNEXVMPUNKLKGP-GFCCVEGCSA-N 287.856 4.807 30 10 CJEE C=C[C@@H](C)C[C@@H](NC)c1cc(C)c2sccc2c1 2256903216 BUZQJNKFNHMSPO-IAQYHMDHSA-N 259.418 4.682 30 10 CJEE C=CCCCSC[C@H](NC)c1cc(C)cc(Cl)c1 2258977457 BAFGEOOYXQLEAU-HNNXBMFYSA-N 283.868 4.608 30 10 CJEE C=CCCCS[C@H]1C[C@@H](NCCC)C[C@@H](CC)C1 2258991801 YDDJTPXVRQCMEM-OWCLPIDISA-N 269.498 4.633 30 10 CJEE C=C1CC(CC[C@@H]2CCCCC23CC3)(CNCC)C1 2264926754 YZDMKPMXIAPHKQ-INIZCTEOSA-N 261.453 4.683 30 10 CJEE C=C1CC([C@@H](NCCC)c2cc3ccccc3s2)C1 2265360253 CLSJFGISWSBCBF-QGZVFWFLSA-N 271.429 4.908 30 10 CJEE Cc1cc([C@@H](N)CC=CC#CC(C)(C)C)ccc1Cl 2268741236 FZHLKKFCZCMQLB-INIZCTEOSA-N 275.823 4.644 30 10 CJEE Cc1cccc2c1ccn2CC=CC#CC(C)(C)C 2268743923 WWIOVGZVXXRRFS-UHFFFAOYSA-N 251.373 4.555 30 10 CJEE C=CCCCS[C@@H]1CCCCC2(CC2)[C@@H]1NCCC 2271492111 MTXJYMMGNXOQAK-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=CCCCS[C@@H](C)[C@@H](NCCC)c1ccccc1 2271499602 ZVGKKVJPGVCGOH-DOTOQJQBSA-N 277.477 4.815 30 10 CJEE C=CCCCCCCCSC[C@](N)(C#N)C(C)(C)C 2271515893 PIHQMNYUJONXRC-MRXNPFEDSA-N 282.497 4.513 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(C(C)(C)C)c1 2274436129 OGECVYRFXKXSII-OAHLLOKOSA-N 259.437 4.819 30 10 CJEE CCCCCCCC[C@](C)(OCCC(=O)O)C(C)C 2274790162 DOYKSJNFHQCPQH-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H](C)C1)OCCN 2277129614 RDDOKDRVICXCPT-IXDOHACOSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCCC1(C)C 2277231707 YFROMOZNTBRPHS-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCOc1ccc([C@H](O)CCCC[C@H]2C[C@H]2C)cc1 2280450707 DWDDRKXOVALRQS-UWWQBHOKSA-N 274.404 4.501 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1CC(F)(F)C12CCC2 2280882129 VDAKWJHZLXYGEL-KKUMJFAQSA-N 285.422 4.782 30 10 CJEE COc1ccc(Cl)c(C(=O)C2=CC[C@H](C(C)C)CC2)c1 2283265959 YFKLBJCKUMMCGG-LBPRGKRZSA-N 292.806 4.914 30 10 CJEE CC[C@](O)(CC=CC#CC(C)(C)C)c1ccc(C)cc1 2284071030 NTJYOSZYGOMULV-IBGZPJMESA-N 270.416 4.588 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)CC1CCCCCC1 2284099352 RYOMFFXCPYXVRP-GOSISDBHSA-N 275.480 4.931 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2cc(C(C)(F)F)ccn2)C1 2284115145 FLMJZZHWCFZAMR-MRXNPFEDSA-N 278.346 4.555 30 10 CJEE CC[C@H](c1ccccc1)[C@H](O)CC=CC#CC(C)(C)C 2284130611 VAAKIAOXCZTZEK-QZTJIDSGSA-N 270.416 4.537 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@]1(CC)CCCCO1 2287372085 ISXONNPBOLZDCU-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H](O)c1cc(C)sc1C 2287388861 XLZWRXYMVLGFPK-IRXDYDNUSA-N 295.492 4.513 30 10 CJEE C=C(C)CCCCOc1ccc(Cl)cc1C[C@H](N)CC 2287408646 KRUCNBPYQKVGCD-MRXNPFEDSA-N 295.854 4.745 30 10 CJEE C[C@H]1CCCC[C@]1(CC#CC1CCCC1)CNC1CC1 2289923861 DUSSYNAOZXTXPN-LPHOPBHVSA-N 273.464 4.519 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CC(C)(C)CCC2(C)C)c1 2290258932 LOKXYJBGCVYLGI-MRXNPFEDSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC1(F)F)OCCCN 2293179385 BFXHFEDSXFPFTF-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H](C)C1CC1 2293504887 OHDPFVOOVATKRH-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCC(C)(C)C[C@@H]1C 2293666647 IFJBSTVVJFXRFE-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1ccoc1C 2293719649 GNHUKTIOGQASKB-QGZVFWFLSA-N 281.440 4.745 30 10 CJEE C=C(C)CCCC[C@@](C)(C[C@H](C)C(F)F)OCCCN 2293890186 MQNQCXCIJMQBTP-HOCLYGCPSA-N 291.426 4.538 30 10 CJEE C=CCC[C@](C)(CC[C@H]1CCC[C@@H](C)C1)OCCCN 2294184325 YOLXEEVRDQORAQ-KZNAEPCWSA-N 281.484 4.683 30 10 CJEE CCCC1CCC(CN(C)Cc2ccsc2C#N)CC1 2294714084 WYORFOJKBDUDTL-UHFFFAOYSA-N 290.476 4.658 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc2c(n1)CCC2 2294878568 IWJLNNWBOZFBKJ-SFHVURJKSA-N 275.436 4.528 30 10 CJEE O=C(C#Cc1ccccc1Cl)[C@]12CCCC[C@@H]1CCC2 2295156235 FXWORKOIVICXGF-QAPCUYQASA-N 286.802 4.621 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](N)C#Cc2ccccc2Cl)CC1 2295219765 QDKNQBWIPHVCAS-QGPMSJSTSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@H](C)NCc1nnc(CC)s1 2295675620 DEHBYQVJQWMKLN-AWEZNQCLSA-N 297.512 4.719 30 10 CJEE Cc1ccc(C(=O)C=Cc2cnc(-c3ccccc3)s2)o1 2297444638 ICLZWRWXWCIIGS-UHFFFAOYSA-N 295.363 4.608 30 10 CJEE C=CCC(CC=C)NCc1ccc(Cl)c(Cl)c1 2298902985 VUUFUYHQVCFBFY-UHFFFAOYSA-N 270.203 4.604 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1csc(C(F)F)c1 2304023544 CIZRUQQYJIHQRH-NSHDSACASA-N 259.365 4.549 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2307612712 BSWXQQIWNBJGNJ-LLVKDONJSA-N 272.219 4.919 30 10 CJEE C[C@H]1CC[C@H](CSC[C@@H](C#N)C2CCCC2)CC1 2313810135 FOCWCZRZBASQHZ-IIAWOOMASA-N 265.466 4.876 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2cccc(Cl)c2o1 2319289309 RMGSCXVXLQICAN-ZDUSSCGKSA-N 263.768 4.703 30 10 CJEE C=C(C)C[C@@H](CC1CC(CC(C)(C)C)C1)NCC 2319289560 VJTFKFVCCXTNDC-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NCC 2321105593 QNDWMSLKNLGXJZ-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1CC(C(C)C)C1 2321130942 MXRLNHCPLZLSMJ-BHUNQDJPSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CCCCCC1)NC 2321136095 AHIDLOUTXVWGSE-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCC1(C)CC1)NCC 2321140375 GZXVFOIHXKHRNS-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1ccc(Cl)cc1Cl)C2 2326921030 HMQYWLCGALUYTI-WGRBQBNCSA-N 282.214 4.534 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@]23CCCC[C@@H]2CC3)CCC1 2334759786 MTDHAWPYEHZKEH-JFIYKMOQSA-N 261.453 4.681 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC2(CCC2)[C@@H]1NCCC 2335096772 QIZOXWBADFDSNF-HRCADAONSA-N 281.509 4.775 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1c(F)ccc(C)c1Cl 2337103490 JNDVOONYGJWXRR-DOMZBBRYSA-N 281.802 4.622 30 10 CJEE CCCN[C@H](C#CC1CCC1)[C@H](CCC)CC(C)C 2337541354 NEWPZANHUZOOAZ-QZTJIDSGSA-N 263.469 4.621 30 10 CJEE N#Cc1ccccc1Nc1cc(C2CC2)ccc1Cl 2338149624 YOJMPKFWDHAMEM-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)c(Cl)c2C)cc1 2338668395 XEXYZTYPBKOPNR-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCCC2(CC2)C1 2338734262 YEGGCGPZEMQGAO-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1sccc1OC 2338743767 ITGHFKXPFSYRGX-HNNXBMFYSA-N 279.449 4.566 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339279399 JBDGIBVSHNIRJK-KCYZZUKISA-N 258.405 4.684 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1C(=O)CC#CC1CCCCC1 2343233768 OOHDLBVOOXDJDW-HOTGVXAUSA-N 260.421 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CC12CCC2)NCCC 2344336698 LBDPRBNOKNKSJW-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(C(F)F)c1 2344354853 CRNOBJALBCRJIR-ZBFHGGJFSA-N 267.363 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@@H]1C(F)(F)F)NC 2344356183 LGOQLDUCSNLSOD-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1nc(C2CC2)cs1 2344383306 ZYLKANUUPVGDKK-HOCLYGCPSA-N 278.465 4.664 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc2cc(C)ccc2o1 2344419988 JQVZOCLWRBBQHM-KRWDZBQOSA-N 256.345 4.916 30 10 CJEE CC1(C)CC(CS)(CN2CCCCC23CCCC3)C1 2345005327 XDXSXFUENKOXII-UHFFFAOYSA-N 281.509 4.521 30 10 CJEE C[C@@H](Cc1cccs1)N(C)C[C@](C)(CS)C(C)(C)C 2352068071 JGAMQURCNNPFON-XJKSGUPXSA-N 299.549 4.593 30 10 CJEE N#C[C@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCc2ccccc2C1 2354853912 KESIJNNCPVCNJM-FXECBMLZSA-N 265.400 4.512 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136838 KCYJHCPCYRLJJI-NNCLKIPCSA-N 275.436 4.548 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C)OCCCN 2360052700 VHQGFVDRZPNGRQ-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)Sc1cccc(C)c1C[C@@H](N)CC 2360207822 KTUWKSNVEUIVCX-HNNXBMFYSA-N 289.488 4.888 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)c(OC)c1 2360379601 WTEYWRJWNYBNKE-CYBMUJFWSA-N 293.476 4.640 30 10 CJEE N#Cc1ccccc1COc1ccc(-c2ccccc2)cc1 11834145 DJYMUVACJNLFST-UHFFFAOYSA-N 285.346 4.804 30 10 CJEE COC(=O)CCCCCCCCCCCCCCC=O 34088200 ZVNKCEVQFIMBAM-UHFFFAOYSA-N 284.440 4.820 30 10 CJEE CC(C)c1cccc(/N=C2\NC[C@@H](c3ccccc3)S2)c1 35295231 KRMMCZGFKGYBFG-KRWDZBQOSA-N 296.439 4.875 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCCCCC2)C1 37146717 HWUQLYVHHKNDLN-FGTMMUONSA-N 290.495 4.997 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2c(c1)CCO2 59469034 MNZXVGDJWBMDMZ-CQSZACIVSA-N 261.409 4.782 30 10 CJEE CCCCCCCOCCCC(=O)c1cccs1 59517966 DQWGXHOZLLYIBG-UHFFFAOYSA-N 268.422 4.698 30 10 CJEE CC(C)c1cccc2c(C#N)cc(C(C)(C)C)nc12 82464953 NYUZRJQJYMZSHL-UHFFFAOYSA-N 252.361 4.527 30 10 CJEE CCC(CC)(CS)CSc1cc2ccccc2[nH]1 94631082 QUBPPRBUDDOKCF-UHFFFAOYSA-N 279.474 4.996 30 10 CJEE C=CCCC[C@H](CSc1ccccc1F)NCCC 97265857 NTUJSBPNLVCVOZ-CQSZACIVSA-N 281.440 4.642 30 10 CJEE Cc1cccc(Nc2cccc(Cl)c2C#N)c1C 104004165 ZQBDJLXRRBPUHA-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCOc1ccc(N/C(C)=C\C(=O)c2ccc(C)cc2)cc1 104726028 HVLJMTAVYCRETI-SQFISAMPSA-N 295.382 4.592 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cccc(Br)c1C 107511197 WNGBAXSVACMJJM-NEPJUHHUSA-N 279.221 4.911 30 10 CJEE CCCCCCCCCCOc1cccc(F)c1CN 109685581 QXZKIEXNZFPYPA-UHFFFAOYSA-N 281.415 4.804 30 10 CJEE CCCCCCCOC[C@@H](O)c1c(C)cc(C)cc1C 110022358 RCKWNXBYVUCXDA-QGZVFWFLSA-N 278.436 4.632 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]2C2CCCC2)C1 110265204 WKMIQQIFWKXHAJ-JCHJZTRSSA-N 288.479 4.750 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](SCc2cccc(C)c2)C1 110355006 FPXSYVYHRZLHPY-BHYGNILZSA-N 273.445 4.947 30 10 CJEE CCCCCCCCCCCC[C@](C)(CN)[C@@H](C)O 115032256 UDOMGLLSFBHJKB-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@]1(N)CCOc2ccccc21 115851271 SIUOCPLJFYRDFX-SFHVURJKSA-N 275.436 4.764 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](C)c1ccccn1 117686804 UFLAIPPNTYQPSR-IAGOWNOFSA-N 276.468 4.914 30 10 CJEE CCSc1cccc(N2CCCCC[C@H]2CC)c1C#N 124976340 QHHDIBNOXBUXSN-CQSZACIVSA-N 288.460 4.829 30 10 CJEE CC1(C)CCC(Oc2ccc(C#N)c(C(F)(F)F)c2)CC1 125267392 BZEAGSCRRPVVOD-UHFFFAOYSA-N 297.320 4.925 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccc(Cl)cc1C#N)C2 126486739 DROWPWQUBCCUJO-MJEQTWJJSA-N 289.806 4.805 30 10 CJEE CCCCCCCCNc1ncccc1Br 126921302 SEKQJRLSHHFMRS-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](OCC)C(C)C 128268952 QRWJDFNNYAKBKH-HZPDHXFCSA-N 257.462 4.516 30 10 CJEE N#Cc1ccc(CN[C@H](CC2CCCC2)c2ccccc2)o1 128898718 XPEMXADABMBQGD-LJQANCHMSA-N 294.398 4.562 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCc2cccnc21 130644799 MNFHNZSBIDAYAR-DLBZAZTESA-N 275.436 4.613 30 10 CJEE CCCCCCCC[C@](C)(CNCCOC)C(C)C 157950713 HMLKZKHWHOMMTK-QGZVFWFLSA-N 271.489 4.635 30 10 CJEE C=C(C)CC[C@@H](CSc1cccc(C)c1)NCCC 164642126 LNUYFHKTXDCEIQ-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=CCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 167810341 HLUAEMNORHLYMW-LESVLKBLSA-N 261.453 4.537 30 10 CJEE C=C(C)C/C=C(\COC[C@@H]1CO1)[Si](C)(CCC)CCC 195820455 RPGRKDWOFMFPCA-BRMCRPDNSA-N 296.527 4.732 30 10 CJEE C[Si](C)(C)C#Cc1ccc2[nH]c3ccccc3c2c1 205823843 CONNUNJMESWZEY-UHFFFAOYSA-N 263.416 4.550 30 10 CJEE C[C@H]1CCC[C@H](SCCCC[C@](C)(C#N)NC2CC2)C1 226973816 JCZWHIXAOMQJHQ-BHYGNILZSA-N 294.508 4.503 30 10 CJEE C[C@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227072986 VIVGUPDIRXYOAU-NUTKFTJISA-N 291.460 4.799 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NCC)c2ccccc2O1 229247678 UBZOQPBRLMEYQP-WBVHZDCISA-N 275.436 4.849 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232348726 ICAYFCFPZPDREI-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCCCCCC(=O)[C@@H]1CSc2ccccc21 232563914 ZDBVHKDHMOFLHK-CQSZACIVSA-N 260.402 4.582 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](OCC)C(C)(C)C 233124489 AUTGFBDBSITQSU-IRXDYDNUSA-N 283.500 4.942 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1O2 250831008 RDNQJJVPRMAKKH-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CC(C)c1cccc(O[C@H]2C[C@H](C)CC[C@H]2C#N)c1 252145800 NWRYXAOHCFNRGG-KMFMINBZSA-N 257.377 4.517 30 10 CJEE Cc1cc(C#N)ccc1CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 253310287 UDYHHXLDNSPVLU-MDASCCDHSA-N 285.431 4.844 30 10 CJEE CC(C)(C#N)C[C@H]1Cc2ccc(C(F)(F)F)cc2S1 260345894 OHXWRIRLQGOTLM-LLVKDONJSA-N 285.334 4.662 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC[C@H](CC)C1 300255576 AWICVKWFJBUJAG-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CCC(=CC(=O)c1ccc(Cl)c(C)c1F)CC 310290149 RIYLLNSFFIYVHL-UHFFFAOYSA-N 254.732 4.717 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@]2(CC1)CC[C@](C)(CC#N)O2 312076471 QKRUHESBSQEXNH-OIISXLGYSA-N 263.425 4.834 30 10 CJEE C[C@H]1C[C@@H]([C@@]2(C#N)CCCc3ccccc32)CC[C@H]1C 312641820 ZUTDXHMIOWUMRI-YEWFCNIMSA-N 267.416 4.857 30 10 CJEE CCCCCCCCCOc1ccc(C)c(C(=O)O)c1 312881815 ZTAVWONGRXLQLS-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CCCCCCC[C@]1(C=O)CCCc2ccccc21 316863754 YHKLHQAVCLIBMX-GOSISDBHSA-N 258.405 4.820 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2sccc2C)C1 383591170 SIHIUKCNMCSSDI-OWCLPIDISA-N 290.476 4.597 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 385002548 VXEYTXSQTAMXJO-AWEZNQCLSA-N 259.437 4.847 30 10 CJEE CC(C)c1ccccc1N=C1N[C@H](C2CCCC2)CS1 386233291 KDXPWWVWPJJBTD-INIZCTEOSA-N 288.460 4.693 30 10 CJEE CCCCCCCCCCNCCCCOCC 388378921 IDONIDASVKFXNX-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cc2c(s1)CCCC2 393830509 VJJSDALSXPPYIV-OCCSQVGLSA-N 263.450 4.632 30 10 CJEE N#CCc1csc2cc(Cl)cc(C(F)F)c12 396185454 DKDKIHTZUPBCPG-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC[C@](O)([C@H]1CC1(C)C)C1(C#N)CCC(C)(C)CC1 397589987 BOHHEJMIINPNOE-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCCC1(F)F 397979835 LYLFMGJNGJITLQ-KBPBESRZSA-N 261.400 4.903 30 10 CJEE C=CCCC[C@@H](C)Nc1cccc(SCC)c1C(=O)O 398206907 HPNSIVIITZEHQO-GFCCVEGCSA-N 293.432 4.654 30 10 CJEE CCCCCCCC[C@@](C)(CNC)c1ccccc1 405625310 KSXIVYMKLUDMPI-SFHVURJKSA-N 261.453 4.914 30 10 CJEE C[C@@H](NCC1CCC(C#N)CC1)c1ccc2ccccc2c1 442122277 FMBQPALNPPJQFV-KLAILNCOSA-N 292.426 4.820 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)cc1 686681928 GMHAAOQQMYLTHV-SFHVURJKSA-N 257.421 4.619 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1c(C)oc(C)c1C 686694305 YYLBJLRPMYCZTJ-QGZVFWFLSA-N 275.436 4.829 30 10 CJEE C#CCCCCCC(=O)c1ccc(Br)c(C)c1 686698120 WISAPIAYAVKQSC-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE C#CCCCCC[C@@H](NCC)c1csc(Cl)c1 686708545 IFTRDQXUMDIGAP-CYBMUJFWSA-N 269.841 4.636 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCc2ccccn2)C1 688315210 JZZBSVKEZQXMRM-UHFFFAOYSA-N 270.420 4.760 30 10 CJEE CCCCCCCCCCCCNCCN(C)CCC 688681287 VGBBRIWOFRDTRW-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE N#Cc1c(Cl)cccc1NC1CC(c2ccccc2)C1 690708163 WZVAQBCCFQSIAB-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 692227728 SARRTDJKEMXVGB-FSNPWBFUSA-N 275.480 4.926 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H](C(C)C)C1 694456285 PLVATMKGBQVLMP-MRXNPFEDSA-N 285.541 4.871 30 10 CJEE CCCCCCCCCC[C@H](O)C1(CN)CCCCC1 695534879 ZJMUFMCRLUKVIQ-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]21 714317360 WXVYZEVRGOUXKC-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H](OCC)C1CCCCC1 715752512 JGMVFBSONNYHJM-SZMVWBNQSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCC[C@](F)(CC)C1CNC1 716143152 AHSRYWKRRZLODD-MRXNPFEDSA-N 257.437 4.855 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1CCC(SC)CC1 720409682 LYVLTBGRRGJUMB-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C#N)C[C@H](C)O[C@H](C)C1 724237883 YSGUQECEYCPHQR-TTZDDIAXSA-N 251.414 4.546 30 10 CJEE C=C1CCC(CNc2ccc(Br)c(C)c2)CC1 724549690 IRSJMDRAMBSVAF-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCCC[C@@H]2C)CC1 724553205 HAYVOGFBDGGDMT-JQHSSLGASA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NCC)c2sc(C)nc2C)CC1 724596778 QSJIJPJWNBGSKC-HNNXBMFYSA-N 278.465 4.547 30 10 CJEE c1cc(NN=C2CCC[C@@H](C3CC3)C2)c2cccnc2c1 737429591 ZBVQRPNOOIRHQX-CQSZACIVSA-N 279.387 4.603 30 10 CJEE C=C1CCC(C(=O)Oc2c(Cl)cccc2Cl)CC1 1124414687 AHMJEOOOSXRXPP-UHFFFAOYSA-N 285.170 4.645 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@H](CC)C(C)C 1128409888 NBPWUMSLKCHRJQ-HNNXBMFYSA-N 273.420 4.816 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CC1CCCC1 1128703860 ZMDUGMJACGPQIC-KRWDZBQOSA-N 299.458 4.808 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)/C=C/c1cc(C)c(C)cc1C 1134515904 XAMWEDHEJGZGMK-VYENPZKTSA-N 297.442 4.582 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H]1CCCc2ccccc21 1288552762 DFIQNDLMPGFWJM-QGZVFWFLSA-N 299.458 4.605 30 10 CJEE C=C(C)c1cccc(NC(=O)CC(C)(C)C(F)(F)F)c1 1289567231 RNMJOKMPROKYOX-UHFFFAOYSA-N 285.309 4.637 30 10 CJEE C=C(C)CCN[C@H](CC)Cc1ccc(Cl)cc1Cl 1308773871 LKYNTVZXBNBFQC-CQSZACIVSA-N 286.246 4.870 30 10 CJEE C#CCCCCCCNc1cccc2c1OC(C)(C)C=C2 1308886239 HUTBXGPGXKHGBK-UHFFFAOYSA-N 283.415 4.866 30 10 CJEE C#Cc1cccc(NC(=O)N2CCCC2(CCC)CCC)c1 1310006757 NKMLVFPDGCWVFU-UHFFFAOYSA-N 298.430 4.635 30 10 CJEE C=CCC1(C(=O)NCCCC(C)(C)C=C)CCCCC1 1439077068 APBARXHGYRFOIP-UHFFFAOYSA-N 277.452 4.622 30 10 CJEE C=C(C)c1cccc(NC(=O)C2=CCCCCC2)c1 1456875310 VZDJZMVZPLTBAP-UHFFFAOYSA-N 255.361 4.549 30 10 CJEE C#CCCCCCCN[C@H]1CC2(CCC2)Oc2ccccc21 1460752159 DCQIZWSRRHTGOE-SFHVURJKSA-N 297.442 4.606 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCC[C@H](CC)C1 1461571404 QQJYFCILTHPNET-DFQSSKMNSA-N 285.475 4.980 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCC[C@@H](OC)CC1 1462150823 PJAQTJPACJKONJ-DLBZAZTESA-N 273.420 4.565 30 10 CJEE C=CCOc1cccc(CNC[C@H]2CCCC(C)(C)C2)c1 1474181180 DZKDZWYOHAAEGA-KRWDZBQOSA-N 287.447 4.557 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1CCC(F)(F)CC1 1474623096 HAAKCSUKTFWYIM-IMJJTQAJSA-N 285.422 4.925 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCC(C)(C)c2ccccc21 1520675605 LOMNEWCQJMQXFZ-UHFFFAOYSA-N 297.442 4.859 30 10 CJEE C=CCC[C@H](Nc1cc(F)ccc1C#N)c1ccccc1 1559145070 JKIANMRVQGWZIE-KRWDZBQOSA-N 280.346 4.817 30 10 CJEE C=CC[C@H]1N(Cc2ccc(CF)cc2)CCCC1(C)C 1559797745 ZACFOZIBYSUKTI-QGZVFWFLSA-N 275.411 4.723 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)cc2)cc1Cl 1614731264 SVCHWQLHARHDNK-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=C(CC)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1 1616677744 LWFVVHHVUMZPBD-UHFFFAOYSA-N 297.364 4.851 30 10 CJEE C=C(C)CCC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1617200220 MQEJLVSNVGNZEF-ZDUSSCGKSA-N 271.404 4.766 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(CC)c(Cl)c1)c1ccccc1 1640279187 SHFZMITWXSCPLE-INIZCTEOSA-N 299.801 4.811 30 10 CJEE C=CCCCCCN(C)C[C@H](OC)c1ccc(Cl)cc1 1653418898 FQVSDNCFBKDEPK-KRWDZBQOSA-N 295.854 4.706 30 10 CJEE C#CCC1(NC/C=C\c2c(C)cc(C)cc2C)CCCCC1 1657031437 OFHBLLSMDWBOCY-KTKRTIGZSA-N 295.470 4.941 30 10 CJEE C=CCCCCCCCN[C@@H]1CCOC2(CCCCC2)C1 1657477340 GSZGIUULZWSSDF-GOSISDBHSA-N 293.495 4.985 30 10 CJEE C=CCCCN(CC)Cc1cc(OC)c2ccccc2c1 1659044266 YVEVXUKFAQVDMZ-UHFFFAOYSA-N 283.415 4.637 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(CC)c(Cl)c1 1671151952 FTYAITVTMAAHBM-UHFFFAOYSA-N 294.826 4.722 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](CCC)COC 1879029512 LVTLXIBPOPJTMG-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CC#CCCC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 1879650256 JCBCRXMZQFPMAI-ZDUSSCGKSA-N 290.712 4.586 30 10 CJEE CC#CCCCC[C@]1(CNCC(C)C)CC[C@@H](C)C1 1885235600 HVRXOOAWFOQENO-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE C=C1CCC(CC2(O)CC3(CCCCCC3)C2)CC1 1886360594 MFIKUGWVIVDNOW-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(OC(C)C)cc1 1886360612 MJTGZUNTSPWYHJ-QGZVFWFLSA-N 262.393 4.644 30 10 CJEE C=CCCCCC[C@@](C)(O)c1ccc(Cl)c(F)c1F 1886384270 KPOGLQWAYZQBED-OAHLLOKOSA-N 288.765 4.962 30 10 CJEE C#CC[C@@H](C[C@@H](O)C1(C)CCCCCCC1)C1CC1 1887098664 OJRHBTUTJFCFHT-DLBZAZTESA-N 262.437 4.538 30 10 CJEE CCCCCCCCCCN[C@H]1CC[C@@H]2C[C@@H]2C1 1917418513 ZHNOBDDIZXPNSM-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1917551283 XACXTGLDBZGYGH-CJNLHWCBSA-N 263.469 4.617 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(F)cc(Cl)c1 1918445996 DTFHWCUEPUDKGO-ZDUSSCGKSA-N 276.182 4.662 30 10 CJEE C#C[C@@H]1CC[C@H](N[C@H](CCCCC)c2ccccc2)C1 1918877981 JUISMBQAZDNKBH-NZSAHSFTSA-N 269.432 4.700 30 10 CJEE CCCCCCC[C@](C)(O)C[C@H]1C[C@H]2CC[C@H]1C2 1919904016 NYGLXHAZZHEMCZ-NXOAAHMSSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@]1(C#N)CCCC1(C)C 1921035035 XEGXMMKELYDVPI-IAGOWNOFSA-N 265.441 4.818 30 10 CJEE O=C[C@@]1(C[C@@H]2CCCCC2(F)F)CCCC12CCC2 1921589659 OMVXOVRQCIYPTJ-ZFWWWQNUSA-N 270.363 4.742 30 10 CJEE C=C([C@H](NCCC)C(C)(CC)CC)[Si](C)(C)C 1922963374 RSTUIKPYUYCMCZ-AWEZNQCLSA-N 255.522 4.615 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(Cl)c(Cl)s1 1934798128 PICDIZXTDKJOTR-GMSGAONNSA-N 264.221 4.528 30 10 CJEE C=C(CC)C[C@H](O)c1cscc1OCc1ccccc1 1934838134 GCMYEPURPSMSSO-INIZCTEOSA-N 288.412 4.717 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(Cl)sc1C 1984515991 MAYZVPBQNMLRHO-GFCCVEGCSA-N 257.830 4.717 30 10 CJEE C=C1CC(CNc2cc(Cl)c(C)cc2Cl)C1 1985529326 PRBZYHKPTUATTP-UHFFFAOYSA-N 256.176 4.680 30 10 CJEE CC#CCCCCC(=O)c1scc(C)c1Br 1990981347 KTVFZSQAMPTMHL-UHFFFAOYSA-N 299.233 4.585 30 10 CJEE C=CCCCCC[C@@](C)(N)c1csc(Cl)c1 1991200883 VQVVYVGRJPZFKK-CYBMUJFWSA-N 257.830 4.712 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(C)c(Br)c1 2009488574 AYVWOHURIHYWGF-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCCC[C@@H]1CCSCCC1=O 2010799318 DDEASKOMAZNTMF-CQSZACIVSA-N 256.455 4.839 30 10 CJEE C[C@@H](CSC(C)(C)C)Nc1cc(Cl)ccc1C#N 2028136521 FGPHRCSCOULGDA-JTQLQIEISA-N 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CCC[C@H](CC)C[C@]1(C=O)CCc2ccccc2C1 2353445319 AEGJHDWCLMUQQJ-MAUKXSAKSA-N 258.405 4.577 30 10 CJEE C=C([C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C(F)(F)F 2354881745 BFVFCROMFZTYCQ-AJNGGQMLSA-N 289.385 4.690 30 10 CJEE Clc1ccc(/N=C/c2c[nH]c3ccccc23)cc1 298052 OOQDVATVUWHSHC-RQZCQDPDSA-N 254.720 4.572 30 10 CJEE Fc1ccccc1/C=N/N(c1ccccc1)c1ccccc1 6240545 CNCCJGUZHLJJMI-RCCKNPSSSA-N 290.341 4.998 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1 36922274 TUYAHYRSQGZMBV-OAHLLOKOSA-N 278.399 4.969 30 10 CJEE C[C@@H]1CCC[C@@H](C)C1Nc1ccc(C#N)cc1C(F)(F)F 36973608 WIFDNXVEAFKOFY-GHMZBOCLSA-N 296.336 4.814 30 10 CJEE CC(C)[C@H](Nc1ccc(F)c(C#N)c1)c1cccs1 51635953 UWTQYICBPWPIRF-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE N#C[C@@H](CCCc1ccccc1)c1cccc(Cl)c1 57686050 DSDJIBLMUQGKPY-MRXNPFEDSA-N 269.775 4.970 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)c1ccc(F)cc1Cl 78900478 ZFCIILNIPGFKTO-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2F)CC1 86949227 TXZHJTHWXZWVRK-RHSMWYFYSA-N 274.383 4.880 30 10 CJEE C=C(CC)C[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NN 97755698 XVLUDVBLRKAILP-MWXXRFSMSA-N 290.495 4.561 30 10 CJEE CCC#CCCc1c(Cl)ccc(Cl)c1Cl 107503575 OXFXTLFVGSDLBM-UHFFFAOYSA-N 261.579 4.993 30 10 CJEE CCCOc1ccc([C@H](C)CCS)cc1OCCC 107569473 WHVCKSYKBWHPQQ-CYBMUJFWSA-N 282.449 4.688 30 10 CJEE CCC#CC[C@@H](C)c1ccc(Br)c(C)c1 107608930 LFLBPDRVLAKIIZ-LLVKDONJSA-N 265.194 4.665 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCC[C@H]2C(C)(C)C)cc1 110028520 SXUDACUGNMPCMK-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE CCCCCCCOc1cccc(CNCC(C)C)c1 110099076 ZSFURQOJJGTPIZ-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN2CCC[C@H]12 110167031 UMKJDHMCTMAVOI-RBUKOAKNSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H]1CCOC1 114995827 SDEXKSOIOZPCPX-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@H]1CC(C)C 115238213 MJEVVMZAJHYHPD-FHWLQOOXSA-N 296.543 4.691 30 10 CJEE CCCCCCCCn1ccc([C@@H](N)C(C)C)c1 118246217 WUSIWLVBGFHAAA-INIZCTEOSA-N 250.430 4.504 30 10 CJEE Cc1cc(Nc2c(F)cc(F)cc2Cl)ccc1C#N 124305332 CCSBVKJEIGAYFD-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCn1cc2c(c1)[C@@H](NCCC)CCC2 128534547 ZIIVIJAVLKCMGJ-SFHVURJKSA-N 276.468 4.836 30 10 CJEE C[C@H]1CCC[C@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129933159 HGJXIKNFAUAHOI-YOEHRIQHSA-N 277.452 4.674 30 10 CJEE CCCCCCCCOc1cccc(OC)c1[C@@H](C)NC 130137411 GZLQWFDQXVJKGU-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCOc1ccc(Nc2cccc(SCC)c2C#N)cc1 136605602 MIHXHLNTJKYUFB-UHFFFAOYSA-N 298.411 4.813 30 10 CJEE CSc1cccc(N2C[C@H](C)Cc3ccccc32)c1C#N 136665189 NEAWGKPGNJMBBP-CYBMUJFWSA-N 294.423 4.610 30 10 CJEE CCSc1cccc(OC2CCCCCC2)c1C#N 136714361 GEKWPCMPUWRAAU-UHFFFAOYSA-N 275.417 4.772 30 10 CJEE CSc1cccc(Oc2ccc(F)c(Cl)c2)c1C#N 136718161 HADCUKUUORAXAQ-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE C=C(CNc1ccc2ccccc2c1)c1ccccc1 148016172 ZIIRKELHIUIVAB-UHFFFAOYSA-N 259.352 4.965 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CCOC1)NCC 156440479 RBCIRJQBSQHZPC-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCN[C@@H](C)c1c(C)nn(CC)c1C 159163508 BDGRHRKLMOZXNQ-AWEZNQCLSA-N 279.472 4.531 30 10 CJEE C=CCN(c1cc(C)c(F)cc1[C@H](C)NCC)C(C)(C)C 162274036 CIDBIWLQEHLJFZ-AWEZNQCLSA-N 292.442 4.596 30 10 CJEE CCCCCCCCCCC(=O)CNC1CCCC1 167888899 VNFFGLVIBKESHU-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 184879525 WLLWXSOFHCAVGX-SECBINFHSA-N 272.175 4.534 30 10 CJEE Cc1cccc(C)c1[C@H](C#N)Nc1cccc(Cl)c1 215837110 KYSKSYZVLPNCQF-HNNXBMFYSA-N 270.763 4.634 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@]1(OCC)CCC[C@@H](C)C1 227755060 IZDGIRPFJFQAMG-FGTMMUONSA-N 281.484 4.696 30 10 CJEE Cc1ccc(Cl)c(N[C@@H](CC#N)c2ccccc2)c1 232243706 RFKMJKYQTAHHDZ-HNNXBMFYSA-N 270.763 4.715 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1Cc2ccccc2N1 232946041 QIBZNSYEGVFPSI-ZWKOTPCHSA-N 275.436 4.525 30 10 CJEE C=CCCCCC[C@@H](Cc1ccccc1C)NCC 233538013 LIEJHJCGFZUCJG-SFHVURJKSA-N 259.437 4.652 30 10 CJEE C=CCCCCC[C@H](O)Cc1c(F)cccc1Cl 236535288 LEMYPTWQCXRIMZ-LBPRGKRZSA-N 270.775 4.519 30 10 CJEE N#CCc1cc(-c2cccc(Cl)c2Cl)cs1 309185188 IKKIRMMMHLOBIN-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE C[C@H](C#N)c1c(Cl)cc(C(F)(F)F)cc1Cl 309513986 SJJXEAAQWAKWQN-RXMQYKEDSA-N 268.065 4.639 30 10 CJEE Cc1cc(OC[C@H]2CCC[C@@H](C)C2)c(C)c(C)c1C#N 312526297 JFPCZRCQXPQQMF-WBMJQRKESA-N 271.404 4.689 30 10 CJEE N#Cc1c(Cl)cccc1OCC/C=C\c1ccccc1 323717784 NUTVNAOFFSAFLJ-WTKPLQERSA-N 283.758 4.694 30 10 CJEE C=C(CN[C@@H](C)[C@H]1CC2CCC1CC2)c1ccccc1 381817795 DXVYFZIEDTYHAH-NHFHULPWSA-N 269.432 4.504 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1csc2ccccc12 384866749 FIUGBWIDSVWNKT-LRDDRELGSA-N 255.386 4.774 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@H](CC(C)C)C1 394140268 UIIHPRASXURLKY-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)ccc1C 395903670 NAUIEXKNGDQYDR-KRWDZBQOSA-N 295.854 4.670 30 10 CJEE CC(C)CCCCCCNC[C@@H](C#N)C1CCCC1 397106414 GOERRRJHZWSMSD-QGZVFWFLSA-N 264.457 4.512 30 10 CJEE N#C[C@H](CSc1ccc(F)cc1F)C1CCCCC1 397133138 UBSWNMRPRRWTGV-GFCCVEGCSA-N 281.371 4.777 30 10 CJEE Cc1ccc(OCC2(C#N)CCCC2)c(C(C)(C)C)c1 405147608 DTNBXYFDJDIEKD-UHFFFAOYSA-N 271.404 4.755 30 10 CJEE C=C[C@@H](CC(=O)N1CCCC[C@H]1C1CCC1)c1ccccc1 648702661 ZMNVOSWNEMXUPQ-LPHOPBHVSA-N 297.442 4.528 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](C)c1ccccc1C)c1ccccc1 677502949 DPLJVBJTRFPLFH-SJORKVTESA-N 293.410 4.532 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(F)c(C)c1 686693748 WWDVZHBRFJFXPO-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C[C@H]1CCOC1 689739287 PPQUEWZINJXIEE-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@]1(F)CCNC(C)(C)C1 691749472 JWJDYQPLKBHVFI-INIZCTEOSA-N 257.437 4.997 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2ccc(C)cc21 692188763 AWWFRESFPLTIKA-UKRRQHHQSA-N 286.444 4.941 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C)c(F)c(C)c1 694893811 GKNGCVDAUBUDTG-INIZCTEOSA-N 263.400 4.840 30 10 CJEE CCCCCCCC[C@]1(O)Cc2ccccc2[C@@H]1C 698989693 UDBVOCAMLUQRDY-YJBOKZPZSA-N 260.421 4.828 30 10 CJEE O=C(C=C1CCCCC1)CCCOC1CCCCC1 699925184 NXRYHYBJADKPDG-UHFFFAOYSA-N 264.409 4.576 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(C(F)F)cc2)CC1 701228360 DJVJWYTZJGEIRF-JTQLQIEISA-N 250.288 4.553 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(CC)cc1 703955982 WRQKOKHHZBBMDE-HNNXBMFYSA-N 259.437 4.892 30 10 CJEE CCCCCCCCCC[C@@](C)(N)CCCOC 704826004 TWGDNPJQLLNFHF-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCSCC1 704927665 JFKVUEPHOCEYCC-OAHLLOKOSA-N 257.487 4.742 30 10 CJEE C=C(C)CC[C@@H](C[C@@H]1CCCC1(F)F)NCCC 713949092 DFYIGLUYEWKSQP-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C)[C@@H](NC)C1CCC(C(C)(C)C)CC1 715769529 NUJIZVRQIBYDME-SLTXQBBLSA-N 251.458 4.639 30 10 CJEE CC#CCC[C@@H](NCCC)c1cscc1C(F)(F)F 717207582 BQCVJKLVHCXDQL-CYBMUJFWSA-N 289.366 4.611 30 10 CJEE CCCCCCCCCCCCN1CCC[C@]1(C)CN 722974394 WGUOONAVAUTMDK-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1nn(C)cc1C 723497867 JFKZFNOZRJOVKE-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE C=CCCc1ccccc1NCc1cncc2ccccc12 799971898 BBEFEIAIYFKPCM-UHFFFAOYSA-N 288.394 4.966 30 10 CJEE CCCCCC/C=C\CCCCC[C@@H](O)CC(=O)OCC 888085825 SSSJDZBCNFYNSP-DOOKAGJSSA-N 298.467 4.778 30 10 CJEE C=C(C)[C@H]1CC=C(C)C(=NNc2nccc3sccc23)C1 915980573 ZOBIUXMVDIRSJU-ZDUSSCGKSA-N 297.427 4.997 30 10 CJEE C=C(CCC(C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C 1083802347 QWHWFBLOCBELRA-HNNXBMFYSA-N 281.440 4.768 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCCC1 1133088526 PCTBQFNXIGWCLM-UHFFFAOYSA-N 294.398 4.511 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccccc1OC(F)F 1171921313 SLUNFEFFQINTAC-HIFRSBDPSA-N 295.373 4.513 30 10 CJEE COc1cc(Nc2cccc3ccsc23)ccc1C#N 1175386364 VIZZYCXLHIGVRM-UHFFFAOYSA-N 280.352 4.525 30 10 CJEE C=CCCC1(CNCc2ccc(OCC)cc2)CCCC1 1203113503 MUNXNEFHXZZLRZ-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCC1(NC/C(C)=C\c2ccccc2COC)CCCC1 1203136707 SHDYVXSXPYYPDB-VKAVYKQESA-N 299.458 4.715 30 10 CJEE C=CCCCCC[C@H](C)NCCC1CC(F)(F)C1 1206160378 ZGGKKQVWPGFKCK-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCCC1(CNC(=O)OCC2CCCCC2)CCCC1 1212483619 XUMRUXSJRMDGFK-UHFFFAOYSA-N 293.451 4.820 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CCCCc1ccc(C)cc1 1266595536 YZFGFFIURIBCSP-QGZVFWFLSA-N 287.447 4.569 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCCC[C@@H]1C 1274720625 GQEMJOYDRVRUEV-IRXDYDNUSA-N 279.468 4.846 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C)c2C)CCCCC1 1349847012 IMQXWCMKHQVGAE-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CCCC1 1353007225 CQBTYAXAOUUBMY-INIZCTEOSA-N 285.431 4.617 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CCCCC)C(C)(C)C 1353459570 SBCHSPUKLMJAML-GJZGRUSLSA-N 267.457 4.700 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C(CC(C)C)CC(C)C 1439851085 ZARSFHKRUJJMSR-KRWDZBQOSA-N 279.468 4.652 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cccc(OC)c1C 1460055984 PNDQFPZBDJTWFI-UHFFFAOYSA-N 295.426 4.582 30 10 CJEE C#CCCCCCCNCC(CC)(CC)C(F)(F)F 1462520952 YXFZETPLZHLHDB-UHFFFAOYSA-N 277.374 4.528 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC(C)(C3CC3)CC2)c1 1477187978 ASZIXZNANRIHFX-UHFFFAOYSA-N 298.430 4.764 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(OCCC(C)C)c1 1518802432 YREWQKXMGSLTNI-HNNXBMFYSA-N 289.419 4.652 30 10 CJEE C=CCC[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 1520010568 DECLGYUWXJOIIE-GOSISDBHSA-N 285.431 4.781 30 10 CJEE C=CCCC[C@@H](C(=O)N(CC1CC1)C(C)C)c1ccccc1 1526441656 SCLZSYLZQJYKDG-LJQANCHMSA-N 299.458 4.774 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1 1531515969 RWHANADYUQXJKM-UHFFFAOYSA-N 299.801 4.559 30 10 CJEE C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 1559272943 SIKLSWCIXQUGSV-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE C#C[C@H]1CC[C@H](NCC[C@H](C)CCC=C(C)C)CC1 1560994110 WKSYUSWDNJMRDA-KZNAEPCWSA-N 261.453 4.541 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C\c1cccc(Cl)c1 1588036347 XAJYYVDSIXVMCA-QBFSEMIESA-N 291.822 4.604 30 10 CJEE CCCCOc1ccc(C#Cc2cccc(C)c2)cc1 1614825266 CEQUEDDXQWEPPM-UHFFFAOYSA-N 264.368 4.574 30 10 CJEE C=C(C)CNCc1ccc(-c2ccccc2)c(Cl)c1 1620934658 KLIVZUUTVODZPJ-UHFFFAOYSA-N 271.791 4.673 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)C(C)(F)F 1621482019 IDIAOLCXVPQAEK-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(F)c(Cl)cc2OC)C1 1621540531 PEFXHJAJKQUISJ-QWRGUYRKSA-N 283.774 4.644 30 10 CJEE C=CCCCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1642782081 QGDGKRFGTZEINA-QRVBRYPASA-N 269.432 4.611 30 10 CJEE C=C(C)CCN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1642782123 RONUBSJFGSTWAY-QRVBRYPASA-N 269.432 4.611 30 10 CJEE C=CCN(CCc1cccc(Cl)c1Cl)C(C)(C)C 1643857474 KTYCUXLJEOBFOE-UHFFFAOYSA-N 286.246 4.822 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 1652855274 HCBBHGMIEWNAJH-JKSUJKDBSA-N 287.447 4.797 30 10 CJEE CCCCCCCCN1CCS[C@H]2CCCC[C@H]21 1653498506 WLRYRIATSOGGHD-CVEARBPZSA-N 269.498 4.707 30 10 CJEE C=CCCCCCN(C)[C@H]1CCC[C@H]1C(C)(C)C 1653938283 LJDPLCGJHCFFKW-CVEARBPZSA-N 251.458 4.879 30 10 CJEE C=CCOc1cccc(CNc2ccccc2Cl)c1 1656858241 XKPVHHWOFZAXOC-UHFFFAOYSA-N 273.763 4.517 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccc(CCC)cc1 1657138502 ZGIOVBOHHPXLTF-UHFFFAOYSA-N 293.454 4.870 30 10 CJEE C=CCCCCCN(C)Cc1cc(Cl)ccc1F 1657378399 ZPDBDRUCYDISGW-UHFFFAOYSA-N 269.791 4.657 30 10 CJEE C=CCC[C@@H](C)N[C@@H](CC1CCC1)c1ccccc1 1657549469 KGQBODMYQLKYLD-QAPCUYQASA-N 257.421 4.862 30 10 CJEE C=CCC[C@H](CCC)Nc1cnn(CC(C)C)c1C1CC1 1659915911 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C=C[C@](N)(C[C@H]1CCC(C)=C(C)C1)c1ccccc1 2343399228 HTUBUISVSXNWTE-WMZOPIPTSA-N 255.405 4.553 30 10 CJEE CC1=C(C)C[C@@H](C[C@]2(C=O)CCCC(F)(F)C2)CC1 2343464019 GHKUCZDZVLEVAB-LSDHHAIUSA-N 270.363 4.908 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2344345696 OIQBEEYJWWHSBT-DKIMLUQUSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1[C@@H]2CCCC[C@@H]12 2344373627 BRCACTPGMVQBKD-AHCXZYCDSA-N 263.469 4.783 30 10 CJEE C=C(C)CN(CC)CC1CCC(CC(F)(F)F)CC1 2353186004 MLVCENOEPFGWAN-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE C=CCCCCCCCSC[C@H](N)[C@]12CCC[C@H]1C2 2353191436 GNTXWOAADQQYKJ-ULQDDVLXSA-N 281.509 4.764 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]2CC[C@@H]1O2 2353911713 OGQQUXOTYZBCIO-XDNAFOTISA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)Nc1cc(C)c(N)cc1C(F)(F)F 2360201237 GMWSNXNLYJMRHT-UHFFFAOYSA-N 284.325 4.529 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc2ccccc2o1 2360323571 JEQWTOPMVSHXSJ-UKRRQHHQSA-N 289.444 4.781 30 10 CJEE C#CCC1(NCc2c(F)ccc(C)c2Cl)CCCCC1 2360551748 RYZCFGJMWWBHEU-UHFFFAOYSA-N 293.813 4.603 30 10 CJEE CCCC(CCC)Nc1cc(Cl)ccc1C#N 36954410 FTZLZHAGXZCPCL-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE Cc1cc(OCc2cc(C#N)ccc2F)cc(C)c1Cl 36988093 SBRIJBBXAKXEEX-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE N#C[C@H](C(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 37345224 DZVILAFHSVALLT-AWEZNQCLSA-N 295.725 4.576 30 10 CJEE CCCc1c(CC#N)oc2c(Cl)cc(Cl)cc12 77071785 HUOCSTXFWSEVNO-UHFFFAOYSA-N 268.143 4.758 30 10 CJEE CCCCOc1ccc(-c2cc(CC#N)c(C)o2)cc1 77074167 PFGBXEJVUIYKQV-UHFFFAOYSA-N 269.344 4.500 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@@H](C#N)c1ccccc1 80799619 IDHSOEUEUZZCMB-GOEBONIOSA-N 298.817 4.640 30 10 CJEE CCOc1ccccc1OCC[C@]1(C#N)CCC[C@@H](C)C1 88415837 KWDUHWAUCIIWRP-CRAIPNDOSA-N 287.403 4.574 30 10 CJEE CC[C@@H](CS)CN(C1CCCCC1)C1CCCCC1 94578423 DKQILIGDJSDOGZ-OAHLLOKOSA-N 283.525 4.910 30 10 CJEE C[C@H](CCS)CCOc1ccc2ccccc2c1 94583112 BMICXBVLMVQEMZ-ZDUSSCGKSA-N 260.402 4.565 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCCCS 94583741 FVWXEDOYRATLLS-RBSFLKMASA-N 258.471 4.564 30 10 CJEE COc1ccc(SC[C@@H](CS)c2ccccc2)cc1 94588842 UKTWVIQWSJPMDF-CQSZACIVSA-N 290.453 4.501 30 10 CJEE C#CC[C@H](CC)c1ccc(CC)c(Br)c1 107478229 VWPKTPTYFPJMMK-NSHDSACASA-N 265.194 4.528 30 10 CJEE CCOc1ccc([C@H](C)CCC#N)cc1C(C)(C)C 107591395 WGWVACFWXCEBAF-CYBMUJFWSA-N 259.393 4.790 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(Br)c(C)c1 107608967 YCDROTKFOJERDF-ZYHUDNBSSA-N 265.194 4.520 30 10 CJEE CCCCCCCO[C@@H](CNCCC)c1cccc(F)c1 110067823 WOIKBHJWVCODEQ-SFHVURJKSA-N 295.442 4.853 30 10 CJEE Cc1ccc(C#N)c(Sc2ccc(C(C)(C)C)cc2)n1 110354178 AGLVDLFHPAAIGF-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCCC1 113049027 JGDPWIMSDWVTAC-NSHDSACASA-N 296.336 4.958 30 10 CJEE Cc1ccc(C(C)C)cc1OCc1cc(C#N)ccc1F 113053404 WZQBUVHQJIAGHL-UHFFFAOYSA-N 283.346 4.708 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCc2ccccc21 115842834 IOKRJFVGGIGIKC-ROUUACIJSA-N 260.421 4.828 30 10 CJEE CCCCCCC[C@@H](N)CSc1cccc(C)c1 117421961 WGMYNIZQHUCHHE-OAHLLOKOSA-N 265.466 4.775 30 10 CJEE CCCCCCC[C@@H](CNCCOC)c1cccc(C)c1 118837610 WKLPAAZVUZQLJL-IBGZPJMESA-N 291.479 4.675 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](C)CCOC 128654639 HFJCMDJIKADPGE-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccnc(C)n1 132392805 YHMUFPMZSZESBQ-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cnns1 135569327 WWFVOBDXFKNCBP-CQSZACIVSA-N 284.469 4.883 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C(C)C 189902644 QVZPOEVXYQNCLD-SJORKVTESA-N 285.431 4.769 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@H](CC)CC2 216968986 WVAIKFFCNNLKAX-CQSZACIVSA-N 262.441 4.828 30 10 CJEE CCCCCCC[C@@]1(O)C(C)(C)[C@H]2CC[C@@]1(C)C2 227983483 ITMSIFMEBMXNMQ-BHYGNILZSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCO[C@H]1CC 232939131 RSRIDPVTQOPIST-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@H](CN)N1[C@@H](C)CC[C@@H]1CC 232978043 GGNPKQKRRHNMFY-OKZBNKHCSA-N 282.516 4.717 30 10 CJEE C=CCCCCCOc1cccc([C@@H](C)NCCC)c1 233155793 SCWQNLZIUQKLTK-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(F)c2ccccc12 233160383 INYMPNARSNNGAT-GOSISDBHSA-N 271.379 4.986 30 10 CJEE C=CCCCCCSc1cccc([C@@H](C)O)c1 235281967 MSQVIKQPSKEDIT-CYBMUJFWSA-N 250.407 4.578 30 10 CJEE CC(C)n1c(CCC#N)cc2cccc(C(F)(F)F)c21 260569935 ZMFRTWFTFHJZBH-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 302673016 MFAVAOMNXZFWMU-MJBXVCDLSA-N 259.418 4.565 30 10 CJEE CC1(C)OB([C@@H]2C[C@@H]2c2ccc3ccccc3c2)OC1(C)C 306668602 KPKFNIFXDSETAW-IAGOWNOFSA-N 294.203 4.790 30 10 CJEE C=CCC[C@@H](NCC)c1ccccc1OCc1ccccc1 310027213 VWWZUUIBLFPQJA-LJQANCHMSA-N 295.426 4.882 30 10 CJEE CCCCCCC[C@H](Cc1csc(C)c1)NC 310094398 UEBDWGQHRUQKAU-OAHLLOKOSA-N 253.455 4.548 30 10 CJEE CCC[C@@H](CS)CSc1ccc2ccccc2n1 310709620 UBOCZTFUPQIUEY-LBPRGKRZSA-N 277.458 4.673 30 10 CJEE CCCCCCCCC[C@H](NC)c1csc(OC)n1 311903208 GEVATDJXBBARGY-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCCCNC1=N[C@@H](CC)[C@@H](CC)S1 313180101 IDSKQZATELDMAS-UONOGXRCSA-N 270.486 4.597 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CCC[C@H](C)C1 318018300 XRGRXYMUBJYOIW-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE N#CCCCCSc1ccc(Cl)cc1Cl 322996685 DUTZKPUGINDWEL-UHFFFAOYSA-N 260.189 4.779 30 10 CJEE CCN(CC(C)(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 383858680 SFVODNYZFJYXSG-ARFHVFGLSA-N 278.484 4.709 30 10 CJEE C=CC[C@H](CC)N[C@H](CC(F)(F)F)c1ccccc1 393755735 WWPFYWMAUCYJLZ-UONOGXRCSA-N 271.326 4.624 30 10 CJEE CC1CCC(C[C@@]2(C#N)CCc3ccccc32)CC1 394019220 HWXBMGGWKVQLAB-JTTJXQCZSA-N 253.389 4.611 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CO)[C@H]1C 395231250 ZYMHMTLLXCTCAA-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)c(F)c1)C1CCCCC1 397097785 BTBLMSAJKOAXJY-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCCC1)C1CCCCCC1 397354030 ZNJYZLFVYFPVBD-CRAIPNDOSA-N 276.468 4.655 30 10 CJEE CCCCCCCCC[C@H](N)CCCOCC(F)(F)F 400658729 RRNLUKWAEUCOSO-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CCCCCCCCCC[C@H](N)C1CCSCC1 401906767 ORVZQHPREOLWRT-INIZCTEOSA-N 271.514 4.988 30 10 CJEE C=CC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 405654734 VKOBYITXJGUVCZ-UHFFFAOYSA-N 297.354 4.556 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1cccc(C)c1C 466648380 TUNUYRWGLMHVTH-LPHOPBHVSA-N 299.458 4.959 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccccc1C 686682891 VQUPTIORFIKLNR-GOSISDBHSA-N 257.421 4.619 30 10 CJEE C#CCCCCC[C@H]1CC(C)(C)CC[C@@H]1CNC1CC1 686694745 DJEAABLHVDKQAA-DLBZAZTESA-N 275.480 4.765 30 10 CJEE C[C@H](/N=C1/NC2(CCCCC2)CCS1)c1ccsc1 687325695 MBQPHPBRFQWDDQ-LBPRGKRZSA-N 294.489 4.595 30 10 CJEE CC[C@H](CC(F)F)C[C@]1(C=O)CCCc2ccccc21 688768878 XGFQFSKBZNOVOM-DYVFJYSZSA-N 280.358 4.531 30 10 CJEE N#CC[C@H](Nc1ccc(C2CC2)cc1)c1ccccc1 690137507 IUCIBYOTNRQWEK-SFHVURJKSA-N 262.356 4.631 30 10 CJEE C[C@@H](CC1CCCCC1)N[C@H](CC#N)c1ccccc1 694633359 FKPSCEHDWCCRDI-MAUKXSAKSA-N 270.420 4.590 30 10 CJEE Cc1cc(N(C)[C@@H]2CCCC(C)(C)CC2)ccc1C#N 697535308 KGVMDJRWAJHVRL-MRXNPFEDSA-N 270.420 4.662 30 10 CJEE C=CCCCCCOc1cc(C)ccc1Br 699801693 QYGSCFWFWPNLTO-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE CCCC1CCC(C=O)(CC[C@@H]2CC2(F)F)CC1 701168700 XOJWTTMPGYVZNK-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE C=CCCC(C)(C)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 704025140 ZIOXZPJHFZQDSX-RVKKMQEKSA-N 263.469 4.783 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2ccc(Cl)cc2C#N)CC1 704532556 YLXQMRRHQBKNCF-SWLSCSKDSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCC[C@]1(N)CCO[C@H](CC)C1 704969850 DWIBZHHZMQITPN-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc(Cl)sc1Cl 710604508 RSVFVRREDIWAIF-QMMMGPOBSA-N 284.639 4.848 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCC[C@H](CC)C1 710631532 CVWRHSORYHUXJX-JKSUJKDBSA-N 271.876 4.961 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H]1CCCc2sccc21 710640229 YEUCRFVVYUSJRB-TZMCWYRMSA-N 283.868 4.679 30 10 CJEE C=C([C@@H](C[C@@H](CC)C(C)(C)C)NCCC)C(F)(F)F 711211143 AMYDIULMLBEXJF-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE CC(C)[C@]1(C)C[C@@H]1/N=C1/NC2(CCCCCCC2)CS1 713188346 PIAOGBXNRSNTID-HOCLYGCPSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](NCC)C(C)(C)c1ccncc1 714374893 AKIIZOLRBVFMCU-QGZVFWFLSA-N 276.468 4.698 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1ccc(SC(F)(F)F)cc1 715028981 MTTRJNMQUKSYEP-BXKDBHETSA-N 276.323 4.544 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)(C)C)CCC(C)CC1 715714615 LOKFYKIRTDBAEA-ISXOHVOVSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(C(F)(F)F)s1 717945649 PSHQCQPNJKAFDD-SECBINFHSA-N 277.355 4.630 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccncc2Cl)CC1 724568358 RSIBPDJEWJTXOK-KRWDZBQOSA-N 292.854 4.912 30 10 CJEE C=C(C)C[C@@H](C)C(=O)OCC1CCC(C(F)(F)F)CC1 770420344 ZZNAFPPSDPWMOA-PNESKVBLSA-N 292.341 4.501 30 10 CJEE CC(=NNc1nccnc1C(C)C)[C@@H](C)C1CCCCC1 773093970 PHAOLMHJDAYSGM-CYBMUJFWSA-N 288.439 4.604 30 10 CJEE Oc1ccccc1N=Cc1ccc(-c2cccs2)s1 1081805950 KCZVKHJWEKFMKS-UHFFFAOYSA-N 285.393 4.933 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H]1CC2CCC1CC2)c1ccccc1 1127384237 PLVSDEAMVLNJRP-YVZJPGBNSA-N 297.442 4.636 30 10 CJEE C=CCC(CC=C)C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1129773965 MXQQQKSYIHIEDX-MRXNPFEDSA-N 291.479 4.818 30 10 CJEE C=CC[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N 1165672364 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293.259 4.856 30 10 CJEE CCCC[C@](C)(C=O)CC1C[C@H]2CCC[C@H](C1)C2 2218376232 UKFHUWLNPXBQEV-ZOBUZTSGSA-N 250.426 4.988 30 10 CJEE CCC#CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2218505229 DVCKKCJWYIVPIA-UHFFFAOYSA-N 274.772 4.665 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc(Cl)n1 2220087722 WDTWEUSTVGALPM-AWEZNQCLSA-N 267.800 4.685 30 10 CJEE C=CCCCCCCC[C@]1(O)CSCC(C)(C)C1 2220089260 PISWTKOYZXLFLI-MRXNPFEDSA-N 270.482 4.797 30 10 CJEE C=C[C@H](C)C[C@H](CCCCCCCC1CC1)NC 2223123586 NGFYYUGZSRMCGW-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CN(CCCCCCC1CC1)C[C@H](CS)CC1CC1 2225716407 UWANKHUSBQANAT-QGZVFWFLSA-N 283.525 4.625 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2nc(C(F)(F)F)cs2)C1 2226434627 POUVOAJBUMSOOS-GFCCVEGCSA-N 288.338 4.523 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1CCC(F)(F)C1 2227275023 XLAOHUQJEFFHTC-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C 2227275875 ZEBBWBGJKPYEMM-RZFLPCETSA-N 263.469 4.913 30 10 CJEE C=CCCCCCCCOc1cccc([C@@H](C)N)c1 2227285885 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CCCC#CC[C@@H](NCCC)c1ccc2occc2c1 2241179068 HUSDAQIMQPBWND-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C)[C@H](CC)O1 2263650295 TWGABABRLFYGJV-HRCADAONSA-N 255.446 4.630 30 10 CJEE C=CC1(C[S@@](=N)(=O)C[C@H](CC)CCCC)CCC1 2263724528 DLIUKTIFSPBSIR-KDOFPFPSSA-N 271.470 4.606 30 10 CJEE CCC(C)(C)N(CCC#N)CCCCC[C@@H]1C[C@@H]1C 2269477910 JFBWFYMRTUDMBH-JKSUJKDBSA-N 264.457 4.607 30 10 CJEE C=CCCCSc1cccc(C)c1CNCC(C)C 2271590020 JIFNIPCDXDGWPR-UHFFFAOYSA-N 277.477 4.799 30 10 CJEE C=CCCS[C@@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2274452043 LLMQJMZNHRQEDF-HUUCEWRRSA-N 283.525 4.879 30 10 CJEE CC(C)(C)c1cccc([C@H](C#N)[C@H]2CCC[C@H]2F)c1 2274503186 JSUPTRXXEQQTET-OWCLPIDISA-N 259.368 4.729 30 10 CJEE C=C(C)[C@](C)(CCCCCCCC)OCCC(=O)O 2274766598 WAJOTRXWXSVNQS-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CC[C@@H](CCCCCCCCC)OCCC(=O)O 2275556335 ZCNRNZNRJOIISP-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1cc(C)sc1C 2276140131 KOAMVRUGQIGWHW-INIZCTEOSA-N 281.465 4.518 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H](C)[C@H](C)CC 2276640634 PCEWHGRRRWKTHD-ZACQAIPSSA-N 271.489 4.763 30 10 CJEE Cc1cc(Nc2nccc(C)c2C#N)c(Cl)cc1Cl 2277456271 WWEUUMBDUVNMBL-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C[C@]1(C(F)(F)F)CCCN(CCCCCCCS)C1 2277499063 BANPRUOGTKVDKC-ZDUSSCGKSA-N 297.430 4.531 30 10 CJEE CN(CCCCCCCS)CC12CCC(CC1)CC2 2277503845 ROVZMHFCVHNRDK-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CC[C@H](NCCC)c1ccc2ccc(Cl)cc2n1 2277647968 GUOPJIDFKFVSFW-AWEZNQCLSA-N 274.795 4.505 30 10 CJEE C=C(C)CC[C@H](NCCC)c1nc2ccccc2s1 2277995168 KORNSRBDJSAIHE-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE C=CCCCCCCC[C@@H](Cc1cnsc1)NCCC 2280194312 AAPFOLLWCRUVHF-KRWDZBQOSA-N 294.508 4.971 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cc(C)c(C#N)c(C)c1 2280562028 DOISHBHMZHXYAS-YJBOKZPZSA-N 270.420 4.946 30 10 CJEE CC[C@@H](CNc1cc(C)c(C#N)c(C)c1)CC(F)(F)F 2280591539 MDJQGGQDDNPTSZ-GFCCVEGCSA-N 284.325 4.566 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncc(F)cc1C 2281120747 VUXYLYPNUHZNBT-INIZCTEOSA-N 280.431 4.930 30 10 CJEE CCN[C@@H](CCC=CC#CC(C)(C)C)CC1CCCC1 2284077456 UEGHFUVEZQNVJW-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CCCCCCC[C@H](NC)c1ccn(CCCCC)n1 2285065814 PBUGGKKBUMQQIC-INIZCTEOSA-N 279.472 4.694 30 10 CJEE O=C1CCCCC=C1c1cccc(-c2ccccc2)c1 2285321543 JZABRQQKAOFXHH-UHFFFAOYSA-N 262.352 4.880 30 10 CJEE CCCN[C@](C#N)(CSCCC1CCC1)C[C@@H](C)CC 2285701360 MYJCITMOZOIGTB-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCCCCCCCCCO)C1 2286820946 OZHRPLASNPXPNV-ROUUACIJSA-N 282.468 4.885 30 10 CJEE CC1(OC[C@@H](CS)CC2CC2)C2CC3CC(C2)CC1C3 2287240774 WTWALHMTZOCUMZ-WUAWYGOHSA-N 294.504 4.564 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1c(F)cccc1C#N 2287920420 QPDGRMKVOVXUKH-CQSZACIVSA-N 276.399 4.962 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCCC[C@H]1CC 2291438475 DGQGVBLHKIYWGB-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)C(CCC)CCC 2291767683 NWOQEGSQDROPIX-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(CC1(C)CCC1)OCC(=O)O 2292014219 VLIWLZBXALBAQY-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1cncc(Cl)c1 2292739961 LRCGSEYOLZZIMP-MRXNPFEDSA-N 298.858 4.502 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1[C@@H](C)[C@H]1CC 2293009785 VSGFYTQZRLBRHS-XWTMOSNGSA-N 283.500 4.763 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCC[C@@H](CC)CC1 2293142293 PLGKAIJMEDBPME-RCCFBDPRSA-N 281.484 4.683 30 10 CJEE C#CCCCC[C@](C)(CCCCCCC)OCCCN 2293343706 XNBRWWQHRDBQKR-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCCC[C@H]1C(C)C 2293574975 JIDOOPRUARHHBO-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2sc(C)cc2C)CC1 2294097455 YXQOSZNJMFOENI-MRXNPFEDSA-N 293.476 4.518 30 10 CJEE C=CCC[C@H](C)[C@@H](CC1CCCCCC1)OCCCN 2294220559 DXCSMNIPJFURDB-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@@](C)(CC1CCCCC1)OCCCN 2294225430 RWKSAGNQEURTGI-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(C[C@H](C)CC)NC 2295712172 VEEZCZFFGLTZPY-IKGGRYGDSA-N 298.540 4.854 30 10 CJEE C=CCC(CC=C)OCc1c(F)cccc1Br 2298829265 YBTGXIVVCIHZAM-UHFFFAOYSA-N 299.183 4.626 30 10 CJEE C[C@@H]1CCCC[C@@H]1OC[C@@](C)(CS)C(C)(C)C 2307099919 FTDYCZWURHTYNM-IPYPFGDCSA-N 258.471 4.564 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(=O)O)cc1Cl 2313523815 DVSOPDZDGSHIAX-UHFFFAOYSA-N 282.792 4.651 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc(C(F)F)cs1 2315451743 SUBNXPPJBGIWFP-GWCFXTLKSA-N 271.376 4.520 30 10 CJEE CC(C)(C)[C@@H](CS)COCCCCCC(F)(F)F 2315788175 KKNADYMJUDPRDJ-LLVKDONJSA-N 286.403 4.718 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2317948628 PKGHUQIMPUQQSG-LLVKDONJSA-N 287.856 4.937 30 10 CJEE CC(C)[C@H](C)[C@H](C)[C@]1(C=O)CCCCC12CCC2 2317985757 ISXWCFKLTZPKTQ-YQQAZPJKSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@H](N)c1c(F)cc(O)cc1Cl 2326707597 YXWURTQUDCKPRC-ZDUSSCGKSA-N 273.779 4.545 30 10 CJEE CCc1ccccc1OC[C@](C)(CS)C(C)(C)C 2327099196 GOBGOAHLNIADDC-MRXNPFEDSA-N 266.450 4.610 30 10 CJEE CC(C)C[C@H](CS)COC[C@H]1CC12CCCCC2 2328524847 BQCMHOGHPKLBFF-LSDHHAIUSA-N 270.482 4.566 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2332224390 BKFAELATVFVVLE-KFGODFMUSA-N 263.469 4.761 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CC[C@@H]2C[C@@H]2C1 2333706580 QRLWNFXQQMXCDF-KSZLIROESA-N 263.469 4.881 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(F)cc1[C@H](C)N 2335233230 WWAFIQAIGYGZCC-LBPRGKRZSA-N 279.424 4.767 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cnc(C(C)(F)F)s1 2335674000 NAYWLXHWVNOKNN-IINYFYTJSA-N 284.375 4.517 30 10 CJEE CCCN[C@@H](C#CC1CC1)C1(C)CCCCCCC1 2337435707 WVJCVNPQVIXLHA-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=C1CC(NC(C2CCCCC2)C2CCCCC2)C1 2338273634 FRSCZNJTBJKSJP-UHFFFAOYSA-N 261.453 4.824 30 10 CJEE C=C(F)CN(C)C(C1CCCCC1)C1CCCCC1 2338403632 JYGVMMXXICQVFV-UHFFFAOYSA-N 267.432 4.931 30 10 CJEE Cc1c(F)ccc(C(=O)C2=CCC(F)(F)CC2)c1Cl 2338771181 QFQSQDLTBQYSJC-UHFFFAOYSA-N 288.696 4.716 30 10 CJEE C#Cc1ccccc1N[C@@H](C)[C@H]1CCCC(C)(C)C1 2339966881 YGCZNGZIZMCXFU-HOCLYGCPSA-N 255.405 4.685 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(O)CCSC 2340107872 OHYBVSHNBRHQKU-INIZCTEOSA-N 288.497 4.590 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@H](C)[C@@H](C)C(C)C 2340138311 PZXJTQXSBBRKBT-UXLLHSPISA-N 270.457 4.595 30 10 CJEE C=C1CC(C[C@@H](CCC2=CCCCC2)NCCC)C1 2340211652 NQHFGYZJIPEQRB-GOSISDBHSA-N 261.453 4.992 30 10 CJEE Cc1c([C@H](O)[C@]2(C#N)CCC2(C)C)ccc(Cl)c1Cl 2340531694 CHXFDHANONZTNC-DZGCQCFKSA-N 298.213 4.665 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C)[Si](C)(C)C 2343076646 VDRKNLFTTOEHOZ-OAGGEKHMSA-N 281.560 4.861 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1c(C)cccc1C 2344337359 PWQNXJVFXQCADN-KRWDZBQOSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@H]1C[C@](C)(F)C1)NCCC 2344341846 FPHHHPALRFBYNO-NXOAAHMSSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]1(C)CCCC1(F)F)NC 2344370961 GSTKVAHNBDUVIT-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@](C)(CS)C(C)(C)C)CC1 2352081524 DJEFZMPVZBLMBJ-HLLBOEOZSA-N 285.541 4.869 30 10 CJEE CSc1cc(OCc2ccc(Cl)cc2)ccc1C#N 2353825035 PJKLWIQXWDAXMI-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC[C@@H]1C[C@H]1C)NC 2356061452 YQOANULTHIUOBF-BRSBDYLESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H](C)CC1CC1 2360330326 KWEUPOVARUQDMH-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccc(C)cc1 2360335812 DZIBKBPBKSGOPN-SFHVURJKSA-N 289.488 4.900 30 10 CJEE COc1ccccc1/C=N/c1ccc(Cl)c(Cl)c1 575453 MGUJWBWCGDEIMO-RQZCQDPDSA-N 280.154 4.753 30 10 CJEE C[C@@H](C#N)Oc1ccc(C(C)(C)C)cc1C(C)(C)C 11834560 URBCDZIMLWGIRA-LBPRGKRZSA-N 259.393 4.572 30 10 CJEE Cc1csc(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)n1 37155754 ODJPFLNRTIOKAD-UPJWGTAASA-N 294.489 4.898 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccccc2Cl)c(C)c1 37938159 CSPKAZPGINYXCB-INIZCTEOSA-N 284.790 4.942 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCCc2sccc21 61329659 IFUFSQNCYJDVCQ-HNNXBMFYSA-N 288.803 4.569 30 10 CJEE CCCCN(c1ccccc1)c1ccc(C#N)cc1F 81581564 IIPDJYPYDKDFJD-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE CC1(C)CC(C#N)(c2ccc(Cl)c(Cl)c2)C1 86517124 ISIIWCFIVMIQIY-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE N#CC1(Cc2ccc(OC(F)(F)F)cc2)CCCCC1 87929915 QHHHLTNJEJRHIT-UHFFFAOYSA-N 283.293 4.602 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C2(O)CCC(C(C)C)CC2)C1 91878728 STCCBTQDQAOCAX-PBHCIXSXSA-N 277.452 4.674 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1C#N 93406758 LONDIFCETRZBEK-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cc(F)cc(F)c1 94826561 NPXDSILLZFAIHX-VIFPVBQESA-N 292.716 4.663 30 10 CJEE COc1c([C@H](C)CCS)cc(C)cc1C(C)(C)C 107671323 MEMPBVBSCUYORE-GFCCVEGCSA-N 266.450 4.725 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@@H]1C[C@H]2C=C[C@H]1C2 109900764 ARNCPXDQJBXNIF-VGWMRTNUSA-N 285.456 4.977 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@@H](O)c1ccccc1 110022348 WIIXWDNZIGEFKN-ROUUACIJSA-N 278.436 4.732 30 10 CJEE CCCCCCCCCOc1ccc(C)cc1CN 110101673 RIGVFMFAWYGKHG-UHFFFAOYSA-N 263.425 4.583 30 10 CJEE CCCCCCCCC1(CNCCOC)CCCC1 110202243 XGLXODLAVIQTEB-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCc1ccc(N(C)c2ccc(C#N)cc2Cl)cc1 110257435 VCASRAZXWFAFBL-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCOc2ccccc21 115844922 BGXGOZOVWKALMN-FUHWJXTLSA-N 289.463 4.891 30 10 CJEE CCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1NCCC 122990473 FHWJCVXZCWMHNN-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE N#Cc1cc(F)ccc1Nc1c(Cl)cc(F)cc1Cl 123443082 FMHIZTXNXPWYDS-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CC[C@@H](C)c1ccc(NCC(C)(C)CCC#N)cc1 125111547 OAKXPMDDUKSYRX-CQSZACIVSA-N 258.409 4.942 30 10 CJEE CCCCCCCC[C@H](CSc1ccc(C)cc1)NN 126940659 NUIZAXBZIPDWTP-MRXNPFEDSA-N 294.508 4.670 30 10 CJEE CCCCCCCCC[C@H](NN)c1c(F)cccc1F 127761078 DZESMLDZCUUVTO-HNNXBMFYSA-N 284.394 4.610 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc2ccncc12 131530122 UHKCTHVSLKEUFZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)s1 134650299 ZNANYZBFPRLBNI-MNOVXSKESA-N 290.819 4.685 30 10 CJEE C=C[C@H](C(C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 140144381 QEHAHRCNEHIDOT-CVEARBPZSA-N 289.419 4.711 30 10 CJEE CCCCCCCCCCC[C@H](CC1CC1)NN 157008288 DPCOIODXHWCHKE-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCC[C@H](NCC)c1c(OC)cccc1OC 158095872 DJRJOHAXSHXACA-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)NC(=O)CC2 159029237 PFLUQIQVTIBUHB-UHFFFAOYSA-N 289.419 4.701 30 10 CJEE CC(C)(C)c1ccccc1NCc1ccc(C#N)s1 161098882 CEPCLGBRMNFNIO-UHFFFAOYSA-N 270.401 4.529 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 164548782 NDLQSZFAIOFGAG-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE CCC[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1C#N 211317290 MIINXLVULICSCK-CQSZACIVSA-N 296.336 4.736 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC1CC1 212325624 HENCOHNYHOVSCV-BZUAXINKSA-N 263.469 4.783 30 10 CJEE CCCCCCCCN[C@@H]1CCc2c(F)cccc21 214590092 ZPQNNYQNURKISX-QGZVFWFLSA-N 263.400 4.763 30 10 CJEE CC/C(=N\O)c1ccccc1O[C@H]1CCCC[C@@H]1CC 215965242 IEJAZZFSJCAEPK-ZBUUYDHISA-N 275.392 4.623 30 10 CJEE C=CCC[C@@H](C)Nc1cccc(-c2csc(C)n2)c1 228820979 NAHLLUPBFSADPO-GFCCVEGCSA-N 272.417 4.885 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 229546638 SQTAOJZUEBFFKT-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE Cc1ccc(NCc2ccc(C(C)C)cc2)c(C#N)c1 232777677 DDMDZNAOLNPZPE-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CCC1CCC(CNCCCCC(C)(C)C#N)CC1 232882098 ZLUUEYWSQCBSIW-UHFFFAOYSA-N 264.457 4.512 30 10 CJEE CCCCCCCCCCCC[C@@H](CC1OCCO1)NC 232943035 BDCSTZHCGXDNJA-KRWDZBQOSA-N 299.499 4.648 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@](C)(O)CC 232947603 BXHKHGNHDQTGBH-IAGOWNOFSA-N 272.473 4.819 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC[C@@H]1NC 232949505 RAHVSUQEXBDCCC-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=C(C)C[C@@H](NCCC)c1scc(C)c1Cl 233160497 IAWIDUZUPCQDFU-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(C)c(OC)c1 233608148 WNHLAVIIJLKUBC-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE C=CCCCCCC(=O)[C@@]1(OCC)CCC[C@@H](C)C1 233784856 VGJABFQVZLFDAF-NVXWUHKLSA-N 266.425 4.677 30 10 CJEE C=CCCCCCC(=O)c1ccc(F)c(Cl)c1 236161707 FNUBWBJUJIMWGD-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]3[C@@H](C#N)CC(=O)[C@]3(C)CC[C@H]12 254628211 NKIRDXHQPLJLPM-QMBFBYQJSA-N 299.458 4.738 30 10 CJEE CCCCCCCC(=O)CCCCC1CCOCC1 305927200 IZIPOCGURDOSJQ-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(F)ccc1Cl 311131022 WOKVEQDOLXHVHH-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=C(C(=O)[C@@H](c1ccccc1)[C@@H](C)CC)C(F)(F)F 311426744 GCDOIIYTERNMFE-GXFFZTMASA-N 270.294 4.504 30 10 CJEE C=CCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCCC 312423947 ZDELGUBCJMNAND-RCCFBDPRSA-N 289.488 4.610 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCCc2ccccc21 317192522 KJYDEIQYVYIHBX-AYBZRNKSSA-N 270.416 4.892 30 10 CJEE CC1CCC(C=O)(Cc2c(Cl)cccc2Cl)CC1 317379836 IIUHXBUYCZOFCY-UHFFFAOYSA-N 285.214 4.931 30 10 CJEE CCCCCCCCC[C@@H](CC1(COC)CCC1)NC 380769770 RMXFVOPOPSWNTD-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(OC(F)(F)F)cc1 380930635 VCHPOIWNUZNWDL-UHFFFAOYSA-N 284.277 4.658 30 10 CJEE CCCN(Cc1ccccc1)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 384406346 QKOUNXKNWDHLOC-BHIYHBOVSA-N 284.447 4.617 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(Br)cs1 384735643 CAFXQJKQJTYNGZ-MFKMUULPSA-N 298.249 4.773 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 384762778 ATPWERXGYFOYNT-AHCXZYCDSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H]1NC[C@H]1C1CCCC1 385383596 ZOPSLKKWZQHEJP-DLBZAZTESA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](CNCCC)C[C@@H](C)C1CCCCC1 386525761 AEYPANINJRWVIY-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@H](C)N(C)[C@H](CC(C)(C)C)C(=O)O 387447158 ATJUOUWCEDFRPK-HUUCEWRRSA-N 285.472 4.557 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1cnsc1 404584666 BMAHNXPYNGJVHX-HNNXBMFYSA-N 283.485 4.568 30 10 CJEE C=C(C)CC[C@@](C)(CNC(C)(C)C)c1ccccc1 405742689 JYMUXOQRMZOWOJ-SFHVURJKSA-N 259.437 4.689 30 10 CJEE C#CCCCCC[C@@H]1CCCC[C@H]1CNCC(C)C 686693343 RSUMKDVXAMUGFU-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE SCCCCCCCCCN1C[C@@H]2CCCCC[C@H]21 687979355 ODXBJZWVRYYACF-DLBZAZTESA-N 283.525 4.911 30 10 CJEE N#Cc1ccc(N2CCC[C@H]2C2CCCCC2)cc1Cl 688793679 KGFZOCVXGPLPIK-KRWDZBQOSA-N 288.822 4.761 30 10 CJEE N#Cc1ccnc(Nc2cccc(C3CCC3)c2)c1Cl 690296767 XKSRLVFNWWQWGB-UHFFFAOYSA-N 283.762 4.618 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C2CC2)nc(Cl)n1 692252648 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30 10 CJEE C=CCCC[C@H](C[C@H]1C[C@H]1c1ccccc1)NCC 2135627158 QISJSSNRYGBWML-KSZLIROESA-N 257.421 4.515 30 10 CJEE CC1(C)CCC[C@@H](CC2(C=O)CCC(F)(F)CC2)C1 2138469399 SEWFPMBFXVUHHJ-CYBMUJFWSA-N 272.379 4.988 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1 2138958115 DKBWRAKXCKRQTC-KURKYZTESA-N 263.469 4.765 30 10 CJEE CCCCCC#CCN[C@@H]1CCCCC12CCCC2 2138964445 WDVLSXVZFCAMPP-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE C=CCCC[C@@H](CC1C2(CCC2)C12CCC2)NCC 2139160308 RCAQJACMBHOEQU-HNNXBMFYSA-N 261.453 4.681 30 10 CJEE C=CC(C)(C)CCNCC1CC2(C1)CC1(CCC1)C2 2139208690 ZIXCWOJNDJYDKZ-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE C=CCCCCCC[C@H](N)c1c(F)ccc(C)c1F 2141908389 ANRUWDMIFDNTRR-AWEZNQCLSA-N 267.363 4.800 30 10 CJEE C=CCCCCCCCCCO[C@H](CCC)CCN 2142405209 UQDFODXQPOTUFP-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCC=CO1 2142450703 OCRNEBVTMRLBLG-DLBZAZTESA-N 265.441 4.574 30 10 CJEE C[C@@H](CC1CCC1)N=C1N[C@@H](C2CCCCC2)CCS1 2143553644 YRVLHXJKQWHSTP-XJKSGUPXSA-N 294.508 4.597 30 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4.952 30 10 CJEE C=CCCCCCCCCOCC[C@@H]1CCCC[C@H]1N 2207427405 MIESYWUZKBPORP-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@@H](O)C12CC(CC)(CO1)C2 2207428722 BNGKNRGLSQGOLT-WWDZGPRUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CCO[C@H](CC)C1 2207432267 NKPFRTZPIJWCGC-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@@H]1CC[C@H](C)O1 2207438751 QYNXIISUXOOPCT-BZSNNMDCSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCNc1cc(F)cc([N+](=O)[O-])c1 2207444322 INXWKPWCIRUDNK-UHFFFAOYSA-N 282.359 4.896 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC(C)(C)C(C)(F)F 2207455167 AYSTVULFVGTYQX-ZDUSSCGKSA-N 292.410 4.739 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)o1 2214624341 XQNBTHQRTPASAR-GFCCVEGCSA-N 255.789 4.850 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1csc(Cl)c1 2217128104 YRNXSOCFHAOTCL-VXGBXAGGSA-N 271.857 4.524 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1csnc1C 2220086514 FHAYKLUATVLLMT-OAHLLOKOSA-N 267.438 4.576 30 10 CJEE C=CCCCCCCCC(=O)C[C@@H](C)P(C)(C)=O 2220093165 OKSGVFZJOWKABH-CQSZACIVSA-N 272.369 4.874 30 10 CJEE CC#CCCCC[C@@H](NCCC)C(C)(C)CCC 2222293829 SIWBSOVLNKRYRQ-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE CCCCCCCC[C@@](C)(N)CCC(C)(C)OC 2223828311 LOOLCJZHTCFKGB-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1C[C@H]2C[C@H]2C1 2223833455 HFXBOBGLLKLMTP-WCXIOVBPSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](C)NCC1(C(F)F)CC1 2223848780 SMZGNCFTENWWIY-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE CCCCCC#CC[C@H](N)C1C[C@H]2CCC[C@H](C1)C2 2225314164 OGQCYANXSXXPMG-BQFCYCMXSA-N 261.453 4.504 30 10 CJEE C=CC[C@H](CNCCC)CC1C[C@H]2CCC[C@H](C1)C2 2225340911 RKPDWAGLRJAGCM-ULQDDVLXSA-N 263.469 4.785 30 10 CJEE CCCC[C@](C#N)(CC)c1ccnc(C(C)(F)F)c1 2226554337 PSHJLVTZXLYFMS-HNNXBMFYSA-N 266.335 4.555 30 10 CJEE C=CCCCCCCC[C@H](O)C1(CC(F)(F)F)CC1 2227276106 PLMRFFHIASYCSQ-ZDUSSCGKSA-N 278.358 4.997 30 10 CJEE CCCCCCCNc1cc(C)c(Cl)cc1[N+](=O)[O-] 2228668240 IYPZHBMQODFYDM-UHFFFAOYSA-N 284.787 4.939 30 10 CJEE C=CC[C@@H](C)OCCC(CC)(CC)CN[C@H](C)CC 2230203268 LVVLUWVMKFLQQA-HZPDHXFCSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCOC[C@@H]1CCC[C@H](NC)C1 2230985578 YMGJUMUITMSIRS-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)[C@@H](C)CN 2231077387 YPIXPDWRHHUZJW-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE C=C[C@@](C)(CCCc1ccccc1)CN[C@H](C)CC 2231539358 SPKCWYJVCHHIGY-AEFFLSMTSA-N 259.437 4.590 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1COC(C)(C)C1 2231925307 WXBHUSTVICENPN-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CO[C@H](C(C)C)C1 2231930351 VLVLNGWBCMVTEF-BBWFWOEESA-N 269.473 4.529 30 10 CJEE COc1cc(Oc2c(C)cc(Cl)cc2C)ccc1C#N 2234318045 NLCYHENFZDLTTH-UHFFFAOYSA-N 287.746 4.629 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]1(CCC)CCCCN1 2235522320 SMIPVHXZAMREQT-ROUUACIJSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC(=O)c1c(F)ccc(N)c1F 2235538956 LXKFFJLXKJVHPR-UHFFFAOYSA-N 281.346 4.646 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc(COC)c1 2235542054 OBAACKPNFCGQGD-SFHVURJKSA-N 275.436 4.750 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H](C)c1ccccc1 2235542439 SFYYMGYFDDHNQG-SJLPKXTDSA-N 274.452 4.539 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1cccc(F)c1F 2235542860 XBEMXZZQULABNU-OAHLLOKOSA-N 282.374 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)c1nccnc1CC 2236614428 SAIMDNIGXXLCPD-INIZCTEOSA-N 278.440 4.603 30 10 CJEE CCCCCCCC(=O)[C@](C)(O)c1cc(C)cc(Cl)c1 2237891597 YYFMCWIIAUBWHV-QGZVFWFLSA-N 296.838 4.786 30 10 CJEE CCCCCCCCC[C@H](NC)c1nc(C)ccc1F 2237973512 QSUACZAULSYUKC-INIZCTEOSA-N 280.431 4.930 30 10 CJEE CCCCCCCCCCCCO[C@H](C)CC(=O)OC 2239497321 FOOAICORIUJZLM-MRXNPFEDSA-N 286.456 4.876 30 10 CJEE CCCCCCCCCCCOc1cc[nH]c(=N)c1C 2239511631 WVVUCWXJUZWNKV-UHFFFAOYSA-N 278.440 4.712 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(F)cc1OC 2240615896 JZXAVSVDYDHBSA-QGZVFWFLSA-N 282.399 4.792 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1CC12CCOCC2 2240622768 XUWFKBVBEALZJT-DLBZAZTESA-N 282.468 4.695 30 10 CJEE CCCCCCCC[C@H](C)NCc1nccn1CCC 2240658428 SFMSMDWFFMMVEA-INIZCTEOSA-N 279.472 4.522 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1ccc(Cl)cc1 2240666442 MRKQUKLJQWDUHJ-IRXDYDNUSA-N 297.870 4.841 30 10 CJEE C[C@@H]1CC[C@@H](CSCC2(CS)CCCC2)C1 2243693913 XDRRKFYXSOZLMW-CHWSQXEVSA-N 258.496 4.646 30 10 CJEE C=C(Br)CN(C)CC[C@H](C)CCCC(C)C 2244872402 RXMMLBSXZVAGPM-CYBMUJFWSA-N 290.289 4.679 30 10 CJEE CC[C@@](C=O)(CC1(C)CC(C(F)(F)F)C1)C(C)C 2253558128 VBUPCMJFMQVJOM-BPCQOVAHSA-N 264.331 4.606 30 10 CJEE C=CCCCS[C@H]1CCCCCCCC[C@H]1NC 2258975590 JKNUXYWBQPYZMZ-CVEARBPZSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CCC(F)CC1 2259236580 DSMCZQRZXCOOKR-GPANFISMSA-N 255.421 4.629 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccc(Cl)c(F)c1 2259240463 BBPITLKNYMARSO-HNNXBMFYSA-N 270.775 4.823 30 10 CJEE C=CCCCCC[C@H](O)C1CC(CC(C)(C)C)C1 2261182495 RVPJMFLMDYGMTF-GPANFISMSA-N 252.442 4.946 30 10 CJEE C=C([C@H](O)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2263310743 PFSOFDLCZXHSBJ-JTQLQIEISA-N 294.414 4.542 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC2(C)CC(F)(F)C2)C1 2263635309 NBZNPODUKWRPLD-GXTWGEPZSA-N 258.352 4.597 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CS[C@H](C)C1 2263719062 XWGIOMNVRWJJEB-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE C=C[C@@H](C)C[C@H](O)c1cccc(-c2ccccc2)c1 2269827606 IFVDWMIDZFUDOO-KDOFPFPSSA-N 252.357 4.599 30 10 CJEE C=C(C)CCCCN1CC(F)(F)C[C@@H]2CCCC[C@@H]21 2271832544 BXCSOUWVZCUSQB-GJZGRUSLSA-N 271.395 4.633 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](C)OCC(C)C 2271838423 GCXBZWAFSAIVLY-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE CCC[C@@H]1CCC[C@](N)(C#CC2CCCCC2)CC1 2274002833 UDVCKDAKUDUIGL-SJLPKXTDSA-N 261.453 4.648 30 10 CJEE CCCC[C@@H](C)[C@H](C#CC1CCCCC1)NCCC 2274057850 CMFSICNDUMZQCY-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(CC#CC2CCCC2)C1 2274181419 QAVWUSCBPJXXPN-AEFFLSMTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C(CC)CC 2276461309 SXGFZYQZQXEGNV-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE SCCCCCCCN1CCCC[C@H]1c1nccs1 2277504718 BZYRZJNZGIFTRT-AWEZNQCLSA-N 298.521 4.550 30 10 CJEE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N(C)CCCCCCCS 2277505800 GEWCAJUGUGBJTH-QZWWFDLISA-N 283.525 4.623 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1(C#N)CCCC1 2278248091 QRRURPMZBVOWKI-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE CCCC[C@@](C#N)(CC)c1ccc2cccc(C)c2n1 2279723010 MPGRUTJNTOZWOT-GOSISDBHSA-N 266.388 4.905 30 10 CJEE CC(C)N[C@](C#N)(CSCC1=CCCCC1)C(C)(C)C 2281264683 FXXIVKFPQUMCSZ-QGZVFWFLSA-N 294.508 4.526 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2OC)cc1 2283322857 RNDGOJLNLNIRPY-LBPRGKRZSA-N 285.774 4.503 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)C[C@@]1(C)COC 2284713722 UBKDVCPNHKWKHK-ROUUACIJSA-N 281.484 4.532 30 10 CJEE C#C[C@](C)(C1CCC(C(C)C)CC1)N1CCCCCC1 2285978886 YCQMGGNIBSOWHH-CTWPCTMYSA-N 275.480 4.717 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(C(F)(F)F)cc1C#N 2286891693 KQFVYXHROHGFHK-CYBMUJFWSA-N 285.309 4.925 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(OC)CCCCCC1 2287416158 XSIFAWRYFUGYHX-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@@H]1C)OCC(=O)O 2291320042 NPDJGKRVMMBTHZ-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)[C@@H](C)CC(C)C 2291769171 VBHHWSLYNDNQCX-DOTOQJQBSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@](CC)(OCCCN)C1CCCC1 2292895468 FMCQZIKONDABML-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1CCC1(C)C 2292995581 ZQWADLVERRKKHF-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1cc(C)co1 2293525287 QSRGJIMTOSGTPY-KRWDZBQOSA-N 281.440 4.529 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)C[C@@H](C)CC(C)(C)C1 2293880561 AOHJKGHRQUUWDA-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](CC[C@H](C)C(F)(F)F)OCCN 2293936559 RETCCXZUCKEAPV-KBPBESRZSA-N 297.405 4.669 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC2CC1C2 2294452088 GVATXYGFJZECFA-ABHNRTSZSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@]1(C)C[C@@H]1C 2294464795 RUWVAPSZUAOAQE-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@]1(C)CC1(C)C 2294472581 LDPUWPSEEUOGOM-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1CCC[C@@H]2O[C@@H]12 2295592249 OURWUYSAVVDITG-XSLAGTTESA-N 282.468 4.836 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@H]2OCCC[C@@H]12 2295678982 LMFNXBXMHXAKPD-WNRNVDISSA-N 281.484 4.673 30 10 CJEE C=CCCC[C@@H](NC)[C@](C)(O)CCCCCCCCC 2295681241 FNDINLHBICMJHV-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(Cl)s1 2300175559 DTOWEPLUOFPWIS-UTUOFQBUSA-N 269.841 4.797 30 10 CJEE C=CCC(CC=C)C[C@H](N)c1cccc(Br)c1 2301063590 VGHKIRBRURDYSR-HNNXBMFYSA-N 294.236 4.607 30 10 CJEE C=CCC(C)(C)C(=O)c1c(C)ccc(Br)c1F 2304058013 FZVORDBWSNFLRR-UHFFFAOYSA-N 299.183 4.682 30 10 CJEE C[Si](C)(C)C#CCOCCC1CCCCCCC1 2319463852 UPPDNJYRWBLDRA-UHFFFAOYSA-N 266.501 4.634 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2320102661 FLQBZWJCRDIEGY-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327714031 UWOHPMHSQCDWPE-NHYWBVRUSA-N 284.230 4.919 30 10 CJEE CC[C@H](CC#N)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327884281 ABIUWNXOCIMCDG-WDEREUQCSA-N 285.218 4.645 30 10 CJEE CCCCC#CC[C@H](O)c1c(Cl)cc(C)cc1Cl 2327901116 XEBRMCSYURUEJK-AWEZNQCLSA-N 285.214 4.919 30 10 CJEE CSc1cc(Sc2cccc(F)c2)ccc1C#N 2328535582 YXGNWXGGTUGXHR-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE CC(=NOC(c1ccccc1)c1ccccc1)C(C)C 2329917075 YENIEIMTSRTAHM-UHFFFAOYSA-N 267.372 4.825 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1[C@@H]2[C@H]1CCCC2(F)F 2330152246 PRRHZUPMTHEQKY-XGUBFFRZSA-N 273.411 4.759 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CC[C@H]1NCC)CC2 2335099118 RWEGGSKGKSOGEJ-HZPDHXFCSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1CNC(C)(C)C 2335237419 FOBNLGDNBPNQPV-GFCCVEGCSA-N 281.440 4.771 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)c(C)c1 2337106821 MRJRDLOFPPUTNZ-JJRVBVJISA-N 261.384 4.530 30 10 CJEE C=CCC(CC=C)[C@](N)(c1ccc(Cl)cc1)C1CC1 2338745185 UMZUUHFRXLEEGC-QGZVFWFLSA-N 275.823 4.672 30 10 CJEE CCc1c(-c2ccc(F)c(C)c2Cl)sc(C#N)c1N 2338767384 GGBXAJAAALLFLR-UHFFFAOYSA-N 294.782 4.532 30 10 CJEE CCCCCCCCCC[C@H]1CCn2nccc2N1 2339935721 SKQGKCMQOZLZMS-HNNXBMFYSA-N 263.429 4.598 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343374195 MWMAURFNKLYPKG-SCRDCRAPSA-N 277.374 4.545 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1ncc(C(F)F)s1 2343577020 XJZKMXGHYYTXOL-PWSUYJOCSA-N 288.407 4.724 30 10 CJEE C=CC[C@H](C)[C@H](C[C@]1(C)CCCC1(F)F)NCCC 2344349351 RZLPLYNPKYKADG-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cccc(C(F)(F)F)c1C 2344355457 HAXVTTGXKPXSKW-ZDUSSCGKSA-N 271.326 4.616 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1c(OC)ccc(Cl)c1F 2344459876 MDYRCQYLWOWLRV-LSDHHAIUSA-N 286.774 4.514 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(F)cc(C(F)F)c1 2344475794 IMCHWHVZMOPGBF-UKRRQHHQSA-N 272.310 4.789 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](CC)NCC)nc1 2360368081 KXKNNIOAYPZMGY-MRXNPFEDSA-N 290.476 4.755 30 10 CJEE CCCCCCCN(C)c1nc([C@H](N)CC(C)C)cs1 2360383962 QPOOZIIROOCIFG-CQSZACIVSA-N 297.512 4.596 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2c(F)ccc(C)c2Cl)c1 2360547118 RORSRHVXHBXMQR-AWEZNQCLSA-N 288.753 4.773 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2)C1 37154142 QOUMPUWDWTWSAN-SQWLQELKSA-N 259.418 4.887 30 10 CJEE CC(C)(C)c1ccc(C[C@@H](C#N)c2ccc(C#N)cc2)cc1 57744840 RDAMMRABUYREID-SFHVURJKSA-N 288.394 4.706 30 10 CJEE COc1ccc(C(C)C)cc1C[C@](C)(C#N)c1ccccc1 57761240 HDOQENNOLAWGOQ-HXUWFJFHSA-N 293.410 4.843 30 10 CJEE CCCCCCCNC[C@H](c1ccccc1)N(CC)CC 59089228 HDBNSLSFPXIRBN-LJQANCHMSA-N 290.495 4.630 30 10 CJEE Cc1c([C@H](C)N[C@H]2CCC[C@@H]2C#N)sc2ccccc12 61892341 WFSYPROWJKTKFO-GUTXKFCHSA-N 284.428 4.553 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCCc2ccccc21 71277635 OUQWIEMNGKXMHS-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE Cc1ccc(N/N=C/c2ccc(OC(C)(C)C)cc2)cc1 82252270 JSFPVGPBUMQOTN-CPNJWEJPSA-N 282.387 4.618 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(O)C1(C#N)CCCCCC1 91876200 XHYWODKUYGHHPI-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cc(C)ccc2C)CC1 91882565 YWXKTZAONDHEFU-AVAKVYKDSA-N 285.431 4.837 30 10 CJEE CCC[C@H](CS)COc1ccc(Cl)c(CC)c1 94584435 ICPLQZGNHBKMPB-NSHDSACASA-N 272.841 4.627 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C(F)(F)F)c1 97208431 SQXHFFQETHSXHE-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CCC#CC[C@H](C)c1ccc(OCC(C)C)cc1C 107615657 LNTHFZRHPKSPHC-HNNXBMFYSA-N 258.405 4.937 30 10 CJEE C#CC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCCC 109723347 FUWZSNQLOGPRJZ-GOSISDBHSA-N 285.475 4.535 30 10 CJEE CCCCCCCCCCOC(=O)c1ccc(N)cc1C 109895804 UJOJUEIAROBEKV-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](CC)CC[C@@H]1NC 110084090 WLHUJGHSEKPHRL-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCOC(=O)c1cc(Cl)ccc1F 111679070 UNHBRKCICRNBKZ-UHFFFAOYSA-N 286.774 4.996 30 10 CJEE CCCCCCCCCN(CC#N)C1CCCC1 114347444 KCBKWHKHQHYNFG-UHFFFAOYSA-N 250.430 4.505 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@H]1CCC 114349018 IWMDLQROJOZALH-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1Cc2ccccc21 115556288 CQPLCTXHNNFKAB-ZWKOTPCHSA-N 259.437 4.665 30 10 CJEE CCCCCCC[C@@H](N)C(CC)(CC)N(CC)CC 118169860 OXUHIOAUKRPGJR-MRXNPFEDSA-N 270.505 4.575 30 10 CJEE CCCCCCCCOCc1cnc(Cl)s1 118906189 MAMAZEIJKQBLML-UHFFFAOYSA-N 261.818 4.674 30 10 CJEE Cc1cc(C)cc(COc2c(C#N)oc3ccccc23)c1 126034999 XZFDRJIUIFGEFQ-UHFFFAOYSA-N 277.323 4.500 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cnn(CC)c1 129109290 XTOJKGBBVCSPNC-QGZVFWFLSA-N 279.472 4.824 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 131314633 DASGBFIDKONAER-MGPQQGTHSA-N 252.398 4.506 30 10 CJEE C=CCC[C@H](C)Nc1c(Cl)cc(F)cc1Cl 132054103 DNNOSGDGGQDTJH-QMMMGPOBSA-N 262.155 4.899 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1Cc2ccccc2S1 135385669 ATEBQMCVKJNBGJ-RDJZCZTQSA-N 278.461 4.815 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1Cc2ccccc2S1 140263691 YXCFWYQVJPMIOI-DOTOQJQBSA-N 277.477 4.781 30 10 CJEE Cc1cc(Oc2cccc(Cl)c2Cl)c(C#N)c(C)n1 157477970 OYKZDJNHLPBWIJ-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE C[C@H]1CCC[C@H](C)C1Nc1ccc(C(F)(F)F)cc1C#N 158332600 ZCZULEZMZBTFID-QWRGUYRKSA-N 296.336 4.814 30 10 CJEE CC1(C)CCC(O)(C2(C#N)CCCCCCC2)CC1 158997159 WELSNYLIAZIIRL-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)CC2CCCCCC2)c1 162029732 CANUJKCIKDCYGK-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE CCCCCCCCCC(=O)c1cncc(F)c1 164229017 GPPDAOIGQACWNH-UHFFFAOYSA-N 251.345 4.544 30 10 CJEE CCSc1cccc(N[C@@H](C)c2ccccc2)c1C#N 167570839 JGAOEAALEZUZOH-ZDUSSCGKSA-N 282.412 4.843 30 10 CJEE CCCCN([C@@H](C)CC)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 217943222 MIVWKQNHLBQNTG-WNRNVDISSA-N 278.484 4.996 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@H](C)CC[C@H]2C(C)C)cc1 218576349 SXCGPNCXCKKWDY-BPQIPLTHSA-N 270.420 4.762 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CN)[C@@H](C)C1 227748534 UDFVQTHECDWWTE-RBUKOAKNSA-N 296.543 4.824 30 10 CJEE CCCCCCCCNCc1cc(Cl)cc(OC)c1O 229053531 CFYKMTLSBQNQDW-UHFFFAOYSA-N 299.842 4.504 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCC[C@H](CC(C)C)C1 230771202 OWVSKOHGPKAZSN-NVXWUHKLSA-N 270.420 4.884 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(Cl)sc1Cl 232842060 DZFHPNYLQGEVKY-SECBINFHSA-N 264.221 4.672 30 10 CJEE CCC(=CC(=O)Cc1cccc(C(F)(F)F)c1)CC 232870669 RHCOYTDWZBHHMT-UHFFFAOYSA-N 270.294 4.563 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(F)c(F)c(F)c1 233607585 VUOBFFZCHCIOGB-OAHLLOKOSA-N 285.353 4.891 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(Br)c1 234440719 CGMAGVWUEFMJCE-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(OC(F)F)c1 234441750 ODRGJCQFVGSWIH-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1C[C@H]2CC[C@H]1C2 252812195 HFNWQAGBBDZMPH-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCCC[C@H]1CC 252879665 YYYCFTBPRJKJOB-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CC[C@H](C#N)c1csc(-c2ccc(Cl)s2)n1 259233699 JJFCOUUWDJBVAJ-SSDOTTSWSA-N 268.794 4.542 30 10 CJEE C[C@H](C#N)c1csc2c(C(F)(F)F)cccc12 259951966 GWWVGBXUTOOOTH-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE Cc1cc2cccc(CC(C)(C)C#N)c2n1C(C)C 260559675 ZBDGZFDXDHFGEW-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccccc2C(F)(F)F)C1 311350819 NUUGVNITVHXJFE-FZMZJTMJSA-N 267.294 4.677 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cc(C)c(C#N)c(C)c2C)C1 312246764 IEWGTOFZZUKEGN-JKSUJKDBSA-N 271.404 4.831 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCCC23CCCCC3)c1 313037816 VHZKHSDQGHLMNW-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CCCCCCCCC[C@@H](N)C#Cc1ccccc1 314765583 AYAGBWMOJAZJJV-GOSISDBHSA-N 257.421 4.506 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1cccc(Cl)c1Cl 317012718 SGFPOJIRCVNSAB-IINYFYTJSA-N 271.187 4.541 30 10 CJEE O=C1CCCC=C1c1ccc2c(c1)oc1ccccc12 380195709 DEBUSZAGVWBALN-UHFFFAOYSA-N 262.308 4.722 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C(C)(C)C(C)(C)C)cc1C 380295825 GPTHWBKVZCAJEV-HNNXBMFYSA-N 271.404 4.552 30 10 CJEE C=CCCCCCCNCc1ccc([C@H]2C[C@@H]2C)o1 382226828 TUODOWKTOYGYQU-HOCLYGCPSA-N 261.409 4.629 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)F)cc1[N+](=O)[O-] 384049074 WJFISENCDYCLGM-UHFFFAOYSA-N 284.306 4.547 30 10 CJEE C=C(C)CCN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 386951779 XQJDRDRCASAHCV-BPQIPLTHSA-N 257.421 4.515 30 10 CJEE N#CC1([C@H](O)c2sccc2Cl)CCCCCCC1 394076885 DSAUPNJIEYBNKD-CYBMUJFWSA-N 283.824 4.689 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)C2(C)CCCCCC2)C1 394679805 XNNBGPSNFIOBOX-SOLBZPMBSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCCC[C@@H](N)Cn1ccnc1 395525289 LUWMUUDLZPSOEW-QGZVFWFLSA-N 279.472 4.521 30 10 CJEE CCCC1CCC(NC[C@@H](C#N)C2CCCCC2)CC1 397305954 MWDLTQLHYUXONU-IIIMJFFVSA-N 276.468 4.655 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CC(C)(C)Oc2ccccc21 398055616 DPHKCHPEWBINEQ-GOEBONIOSA-N 273.420 4.623 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1cc(C#N)cc(F)c1C 401578980 WLQMDCODSFOGSO-HUUCEWRRSA-N 274.383 4.634 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 403424220 SKXKXTHPRRVSBI-ONWVLEABSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCC[C@H]1[C@H](C)OC[C@@H]1NCCC 405821281 KHLLYOZZGIABQO-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(Cl)cc1Cl 686674355 KMQHAEDAWHMYNB-AWEZNQCLSA-N 271.187 4.611 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2cc(C)ccc2o1 686689926 XWWYEQOKZLNQHE-MRXNPFEDSA-N 269.388 4.585 30 10 CJEE N#C[C@]1(Cc2ccsc2Cl)CCc2ccccc2C1 688005243 CMGBSXXLUDXNOE-MRXNPFEDSA-N 287.815 4.643 30 10 CJEE N#C[C@@]1(C[C@@H]2CC3CCC2CC3)CCc2ccccc21 691751641 AGXAEBRTNVGSHX-WNQHEHQFSA-N 265.400 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CSc2ccccc21 692251465 IXQJYCYQEGHXOF-INMHGKMJSA-N 287.472 4.600 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693392225 LIIVUIBRJGXUQP-LXTVHRRPSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H](O)CC(C)(C)C1 693829977 IJMUOMIZSIJWAO-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](CNCC(C)C)C1CCOCC1 696850570 DVHWPEOURKAWOC-SFHVURJKSA-N 283.500 4.635 30 10 CJEE CCCCCCCCCNC1C[C@H]2CC[C@H](C1)C2 697973970 HLZBPWNIQPAADS-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCNC[C@H](CCC)OCC 705316505 BHCWNVHRZNGTJL-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C[C@H]1C[C@@H](N(C)c2cc(Cl)ccc2C#N)CC(C)(C)C1 709181980 FXSYQCXVCQCKJW-SWLSCSKDSA-N 290.838 4.863 30 10 CJEE CN(CCCCCC#N)C1CC(C)(C)CC(C)(C)C1 710348470 CKVXJAIPZZGCRU-UHFFFAOYSA-N 264.457 4.607 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CC(C)(C)OC2(C)C)C1 711332409 BSZMAXYOJOKYHP-RVKKMQEKSA-N 280.452 4.756 30 10 CJEE CCCCCCCCCCC(=O)[C@H](C)[C@H]1CCCO1 720258895 HYJKUUOPVCVOBP-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCN[C@H](CC)[C@@H]1CCCOC1 723965773 QIPNMOFXDRNWHY-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)cc2F)CC1 724545883 SYQFKRWZEXZXTG-MRXNPFEDSA-N 281.802 4.876 30 10 CJEE C=C1CCC(CC(=O)c2cccc3cccnc23)CC1 724590654 VBTKAPNACRVROW-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=C1CCC(CC(=O)c2cc(Cl)ccc2C)CC1 724594715 HPAWELXYMAGDTO-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE C=C1CCC(C[C@@H](CCCc2ccccc2)NC)CC1 724617610 LZLJAVVASVKBEW-LJQANCHMSA-N 271.448 4.734 30 10 CJEE N#Cc1cc(C(F)F)c(C(F)(F)F)c2ccsc12 725277037 XAWIPNREYHIASO-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE CSc1cc(C(F)(F)F)c2sccc2c1C#N 725292290 SILYSLYURUKNJP-UHFFFAOYSA-N 273.304 4.514 30 10 CJEE Cc1cc(SC(F)(F)F)c2sc(CC#N)cc2c1 725314758 VHVRCRLRSIJBED-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE CC1(C)OB([C@H]2CC23CCCCCCC3)OC1(C)C 725350925 KWKPOBPNIVWGQJ-ZDUSSCGKSA-N 264.218 4.583 30 10 CJEE CC(C)=CCC[C@@H](C)CC=NNc1ccc(C)cn1 727263033 JVQABLAILYRSOM-CQSZACIVSA-N 259.397 4.560 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](c1cccnc1)C1CC1 793545833 CWNKYJJZZNAFCP-YJBOKZPZSA-N 272.436 4.647 30 10 CJEE CN(C[C@@H](C#N)C(C)(C)C)C1CC(C)(C)CC(C)(C)C1 822055324 GXPDFTKQOBWYBJ-CQSZACIVSA-N 278.484 4.709 30 10 CJEE C=CC(C)(C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1124494760 UYYLHERWLQKHAN-UHFFFAOYSA-N 292.593 4.798 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 1124742816 ZWIXQNISRLNQFJ-AWEZNQCLSA-N 279.811 4.510 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(C)cc2ccccc12 1129134190 GDFZAOKUFXIXPK-AWEZNQCLSA-N 267.372 4.689 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 1134837937 FWPYIXCVAHGUER-AWEZNQCLSA-N 297.373 4.676 30 10 CJEE C=CCC[C@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 1205860280 NRAJTFXGHHROFQ-ZBEGNZNMSA-N 281.802 4.875 30 10 CJEE N#CCC1(CN[C@@H](CC2CCCCC2)c2ccccc2)CC1 1307641540 BKQXCOKMYZNFPV-IBGZPJMESA-N 296.458 4.982 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2csc3ccccc23)C1 1308201850 CPSUYYRULINHGS-ZFWWWQNUSA-N 271.429 4.736 30 10 CJEE C=CCn1ncc2ccc(N[C@H](C)CC3CCCC3)cc21 1308958215 DZPVFANPICMXDR-CQSZACIVSA-N 283.419 4.603 30 10 CJEE C=CC[C@H](C(=O)NC[C@H](CC)CCCC)c1ccccc1 1351566064 GGOORJVNVOUMGZ-AEFFLSMTSA-N 287.447 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 1358386748 VCHBBUCYQSMDLB-ROUUACIJSA-N 299.458 4.506 30 10 CJEE C=CCC1(CNC(=O)C=C(CCC)CCC)CCCC1 1436233519 INPAHLSPMIUDAU-UHFFFAOYSA-N 277.452 4.766 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)sc1C 1436592012 MWSPXFVXFSJJDV-UHFFFAOYSA-N 279.449 4.621 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 1462161327 GRMQXPDWBLTCDB-SWLSCSKDSA-N 285.353 4.581 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CCCC(C)C 1467631143 RTRWGIBPLSMAOC-BBWFWOEESA-N 294.483 4.635 30 10 CJEE C=CCCCCN[C@@H](c1ccc(Cl)cc1)C(C)C 1473479349 QYJBYSVCXBPQDD-MRXNPFEDSA-N 265.828 4.983 30 10 CJEE C=C(C)CCC(=O)O[C@H](CC)c1cccc(Cl)c1F 1517271046 RWNRJHHBBXTTBK-CYBMUJFWSA-N 284.758 4.830 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1520019160 TXLWVUDZKPUVSZ-CABCVRRESA-N 286.415 4.772 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)CCC=C(C)C)c1ccccc1 1521931590 HFUVXOACSSNTQK-IAGOWNOFSA-N 285.431 4.597 30 10 CJEE C=CC1(CC(=O)N(C)C2CCC(C)CC2)CCCCC1 1524608451 SCTPXUICFPZSNM-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C=C[C@@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 1532388344 WMDABMCANNGHHV-HPFMTEOYSA-N 296.341 4.700 30 10 CJEE C=CCC1(CNC(=O)CC[C@@H](C)c2ccccc2)CCCC1 1532537783 DSSLGPYCHXICQZ-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccccc2SCC)c1 1559645733 QZIVXGHWTRGBSZ-UHFFFAOYSA-N 295.451 4.806 30 10 CJEE C#Cc1ccc(CN[C@H](c2ccc(Cl)cc2)C(C)C)cc1 1560255479 UNZRMZFNMQZCSB-IBGZPJMESA-N 297.829 4.808 30 10 CJEE C=C1CC(C)(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)C1 1567823724 MAHSAUSFZXGQAB-SNVBAGLBSA-N 298.213 4.527 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)c1ccccc1 1583038898 YGKKFGVJUACYNJ-IAOULYHDSA-N 285.431 4.803 30 10 CJEE C=C[C@H](OC(=O)c1ccsc1C(F)F)c1ccccc1 1586194392 IKDMINUIGCRHOR-LBPRGKRZSA-N 294.322 4.770 30 10 CJEE C=CCC1(CNC(=O)C[C@@H](C=C)c2ccccc2)CCCC1 1587304579 GDOVRJASYVWHAZ-QGZVFWFLSA-N 297.442 4.599 30 10 CJEE C=CCCCCCN(C)CCCc1cccc(C)c1 1615601387 UBYVYCYGLJDKRZ-UHFFFAOYSA-N 259.437 4.606 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1sccc1C(F)F 1617466180 MCDOSUMENYALAW-ZYHUDNBSSA-N 299.386 4.550 30 10 CJEE C=CCCCCCN1Cc2cc(C)ccc2CC1(C)C 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30 10 CJEE Cc1ccc2[nH]c(Sc3cc(Cl)ccc3C#N)nc2c1 110354549 NLKZJJKVEJKMQP-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE CSc1ccccc1Oc1ccc(C#N)cc1Cl 110981830 HABCYKFFRPJNDX-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NCC 112847028 SDQIHRIKIFJIKE-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCOC1 114997747 IDOGNUKFTDSZEJ-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CCCCCCC[C@@H](O)CSC1CCCCC1 115647411 VGICNQBWCDVXHQ-CQSZACIVSA-N 258.471 4.774 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(C)c1Cl 122418493 IUYFUBYZOOUDRB-OAHLLOKOSA-N 282.859 4.903 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cc(F)ccc2Cl)C1 126012203 CAMJFICSPMNUNC-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(CC)cc1)NN 131373452 ZRMXUMIGRHHMGX-IBGZPJMESA-N 290.495 4.764 30 10 CJEE C=CCCCCCCCCCC(=O)C(F)(F)F 137765143 NZYLZFSXOJPCFX-UHFFFAOYSA-N 250.304 4.815 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(F)c(OC)c1 159041790 UVUCLWHHXVVQES-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)ccc1F 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C=CCCCCC[C@@H](NC)c1cccc(OC(F)F)c1 234461366 ODRGJCQFVGSWIH-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1C#N 250819725 KTQQREZMYIEESW-OWCLPIDISA-N 251.414 4.692 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCC 250834009 SSUWPRRORLKMII-RCCFBDPRSA-N 283.500 4.776 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)C 252778958 ZUOPXIXQUYIUOE-FGTMMUONSA-N 277.496 4.867 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(OC)s1 310954787 ZOOAHBJMWCXUDF-ZDUSSCGKSA-N 269.454 4.768 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1nc(Cl)c(C#N)s1 311942719 IDQVPZWDQCNLDX-UHFFFAOYSA-N 292.791 4.892 30 10 CJEE CCCCCCCCCCC1(C(=O)O)CCC(O)CC1 313029203 YQWAOCZCNAGMAN-UHFFFAOYSA-N 284.440 4.523 30 10 CJEE CC1(C)CCC([C@H](O)C2(C#N)CCC(C)(C)CC2)CC1 313187718 WPGWENYXYJZSEU-HNNXBMFYSA-N 277.452 4.674 30 10 CJEE C=CCCCCCC1(CNC)CCC(C)(C)CC1 316987946 FDMDLKWEAQIDAG-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@]1(CNC)CCC[C@H](CC)C1 317197388 NITXZSHOILWSOY-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CCc2ccccc21 318206177 FARCFCYKFFDOMT-LJQANCHMSA-N 271.448 4.615 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCc2ccc(OC)cc2)C1 383379479 SMBVVANTYIVSCC-QAPCUYQASA-N 271.404 4.738 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccsc1Br 389010526 MBFIWHNWMRQNEO-MFKMUULPSA-N 298.249 4.773 30 10 CJEE N#C[C@@H](CNc1cc(Cl)ccc1Cl)C1CCCC1 397344542 ICMPNHOLKUNPRY-NSHDSACASA-N 283.202 4.735 30 10 CJEE C[C@@](C=O)(Cc1cc(Cl)ccc1Cl)c1ccccc1 405740950 ZXDWYPZJKLAJBT-INIZCTEOSA-N 293.193 4.693 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 467829708 HJNCPCJEKJPKGS-CYBMUJFWSA-N 291.822 4.628 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@H]1CC(C)(C)C)c1ccccc1 535339692 GNBKXNCBAVHAMM-WMZOPIPTSA-N 299.458 4.774 30 10 CJEE C=CCCC(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 537702143 RBQBJVHQNNJRAX-CQSZACIVSA-N 297.373 4.636 30 10 CJEE CCCC1([C@@H](O)C2(C#N)CCCCCCC2)CCC1 686131074 DGLYXYZMILLAAG-OAHLLOKOSA-N 263.425 4.572 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)C2(C(C)C)CCC2)CC1 686138686 MDPHLVLNICXRPM-AQFXKWCLSA-N 277.452 4.674 30 10 CJEE CC(C)C1CCC(C#N)(CC[C@H]2CCCCO2)CC1 688120711 LFZDZGIRDYWWGN-AQFXKWCLSA-N 263.425 4.692 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)CC(F)F)NN 688836649 CSXUNJKYPMZHQC-KGLIPLIRSA-N 278.431 4.640 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2ccc(C)cc21 692188761 AWWFRESFPLTIKA-HIFRSBDPSA-N 286.444 4.941 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC(C(C)C)C(C)C 692255516 SVGAFZBZQOAIHL-DOTOQJQBSA-N 251.458 4.639 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H](C)c2ccccn2)CC1 692881795 AGQPJYYJHGJVKA-KLHKWILBSA-N 270.420 4.931 30 10 CJEE CN(C1CC(C)(C)CC(C)(C)C1)[C@@H]1CCCC[C@@H]1C#N 693085917 LZDNYNFIJWDRMR-GDBMZVCRSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)c1cccs1 695927534 OGSLPZPNXMBJAZ-GOEBONIOSA-N 283.481 4.640 30 10 CJEE CCCCCCCCC[C@@H](O)CC[C@H](CC)CCN 696158641 JSGVMICNVGXTAH-DLBZAZTESA-N 271.489 4.643 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H]1CCCC(C)(C)CC1 697535969 NNZPQNWMXBSPCD-INIZCTEOSA-N 270.420 4.662 30 10 CJEE CCN(Cc1ccc(C)cc1)c1cccc(Cl)c1C#N 699483990 HYVHFLHULABXPH-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)C[C@H]1C 705342868 NNUSWDUDZBEDDL-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@H]21 707870938 QBFCPANWKLGQJJ-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H]2CCC[C@@H]3CCCC[C@@H]32)N1 714308901 GBZCVDXQYJNDKP-SOUVJXGZSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)sc1Cl 715788304 PSANVPJOVSLPGS-LDYMZIIASA-N 278.248 4.918 30 10 CJEE CCCCCCCC[C@H](O)CCCC(C)(F)F 718569150 DSNZSVBRUYOPFA-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1CO1)NCCC 718611534 AUQIYHGFTRCQIT-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC(=O)C[C@H](N)C1CCCC1 718815304 DODVFQONOZVVMI-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCCC2(CC2)C1 723433925 NKSGVKQZBAWSSA-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H](C1CCCC1)C1CC1 723852314 LCKZPMIMKFOOAB-INIZCTEOSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724237121 UXGSAPXQGJQAEX-VSZNYVQBSA-N 283.500 4.919 30 10 CJEE C=C1CCC(CN[C@@H](CC)c2ccccc2F)CC1 724446097 BJDFTAVOBILHQC-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc3c(s2)CCCC3)CC1 724559774 NERGHCUSLKUQKV-OAHLLOKOSA-N 276.445 4.797 30 10 CJEE CC(=NO)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 725274151 ZHHSYJSRXABLCB-UHFFFAOYSA-N 285.290 4.632 30 10 CJEE CC/C(=N\OCc1ccccc1F)c1ccc(F)c(C)c1 821223838 CPJMZKQMWYDAQV-LVZFUZTISA-N 289.325 4.604 30 10 CJEE C=CC1(CC(=O)OCc2ccc(Cl)cc2)CCCCC1 1124429691 FSMGSDDFOGYPQU-UHFFFAOYSA-N 292.806 4.910 30 10 CJEE C=CC[C@H](CC)NC(=O)C1(c2ccccc2C)CCCCC1 1128426468 XQEKTLJKCSUQSM-KRWDZBQOSA-N 299.458 4.668 30 10 CJEE C=CCC1(NC(=O)C[C@@H]2CCc3ccccc32)CCCCC1 1129028258 FIMSAALRIOUEQT-KRWDZBQOSA-N 297.442 4.502 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCC[C@@H]2CCC)CCCC1 1131111255 BTXRYXKKVGSZMM-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=C1CCC(CNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 1133543133 AAGKADWNUYVIEM-WBVHZDCISA-N 291.479 4.702 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)CCC[C@@H]2CC 1134733998 UVXZVGZDGWFIBE-ZBEGNZNMSA-N 292.448 4.514 30 10 CJEE C=C(CNCc1ccc(OCCC)c(C)c1)c1ccccc1 1177688481 WYNROSGHWRUFKO-UHFFFAOYSA-N 295.426 4.587 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCCC(C)(C)C2)CCCCC1 1269389353 NXNGFZFWSSMCGN-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CC[C@H]1N(C(=O)C2CCC3(CC2)CC3)CCCC1(C)C 1270799669 BVGRRVRWILIGAQ-MRXNPFEDSA-N 289.463 4.550 30 10 CJEE C=CCCCCCN(Cc1ccccc1)CC(F)F 1307516660 LYYOKNXCXMKERU-UHFFFAOYSA-N 267.363 4.500 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 1307741945 MYZIJJBJLMTRNF-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)CC[C@@H]1C 1312802753 ODGGLEZIIQFUMJ-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=CCC[C@@H](C(=O)NCCCC1CCCC1)c1ccccc1 1348371465 NNHYRLYVQZWBCY-LJQANCHMSA-N 299.458 4.823 30 10 CJEE C=CC(C)(C)CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 1358198577 ILTUDJUOQDJKBJ-GOSISDBHSA-N 297.442 4.657 30 10 CJEE C=CCCCCN1CC[C@H](C)Sc2ccccc21 1459688328 VZBXIKOHTHELKD-AWEZNQCLSA-N 261.434 4.734 30 10 CJEE C=CCC1(NCC2CCC(C(C)(C)C)CC2)CCOCC1 1461621034 GBFKDCAZUTYCJV-UHFFFAOYSA-N 293.495 4.554 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H](C)c1ccc(C)cc1 1462336883 XRQCUYDEWSEOPC-GHTZIAJQSA-N 293.454 4.876 30 10 CJEE C=CCC[C@H](Nc1cc(C(C)C)ncn1)c1ccccc1 1472734764 AJRAXVAXAPETCF-INIZCTEOSA-N 281.403 4.719 30 10 CJEE C#Cc1cccc(N(CCC(C)C)Cc2ccccc2)c1 1473273893 PMXRXDILKRBUDO-UHFFFAOYSA-N 277.411 4.721 30 10 CJEE C=CCCCCN1CCCSC[C@@H]1c1ccccc1 1473759641 LUNRWOHKSXWKCA-QGZVFWFLSA-N 275.461 4.523 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 1474232964 FTFJWKFEEFGVPE-VMGRFDJRSA-N 275.823 4.662 30 10 CJEE C=CC(C)(C)CC(=O)NCC1CCC(C(C)(C)C)CC1 1517593216 IGBIZGGBGFJOGH-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C#CCC1(C(=O)NC[C@H](CCC)CCCC)CCCCC1 1517872758 FNJXGMPCKOHPBE-QGZVFWFLSA-N 291.479 4.683 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCCc2cc(C(C)C)ccc21 1525041102 QMEJYOLAHVXCMC-LJQANCHMSA-N 285.431 4.692 30 10 CJEE C=CCC[C@@H](C(=O)N1C[C@H](CC)CC[C@@H]1C)c1ccccc1 1542545517 IWXOCKIGBLLRQN-YQVWRLOYSA-N 299.458 4.774 30 10 CJEE C=CC(C)(C)CNCC1CCC2(CCCCC2)CC1 1560837698 ZGXVKPHJQWTVTR-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C)cc2C)CCCCC1 1562136709 OIHUBPQWBDWWPG-UHFFFAOYSA-N 286.419 4.704 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cccc(C2CCC2)c1 1562882129 BPPKXYBOQZRFAJ-UHFFFAOYSA-N 286.419 4.774 30 10 CJEE C=CC1(CC(=O)N2CCC(C)(CC)CC2)CCCCC1 1584032667 MNGDAKYBZYWRPL-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCCC1(CNC[C@@H]2CCOc3ccccc32)CCCC1 1621003984 FHVUXMQZTISESP-KRWDZBQOSA-N 299.458 4.669 30 10 CJEE C=CCN(Cc1ccc(Oc2cccc(F)c2)cc1)C1CC1 1621235964 RMTLTNJAVZCZTN-UHFFFAOYSA-N 297.373 4.768 30 10 CJEE C#Cc1cccc(NC(=O)NC2CCC(CCCC)CC2)c1 1622737148 POTJCVQZLGKUQD-UHFFFAOYSA-N 298.430 4.538 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCc1c(F)cccc1F 1643803046 NKGDETZFLHUNGX-RDTXWAMCSA-N 293.401 4.622 30 10 CJEE C=C(CN[C@H]1CCC[C@@H](CC)CC1)c1ccccc1 1649117664 MVGYBFOKPGPJQZ-AEFFLSMTSA-N 257.421 4.648 30 10 CJEE C#CCN(CC(C(C)C)C(C)C)[C@H]1CCc2ccccc21 1651994334 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1954905435 RICMREMCBKMNMP-UHFFFAOYSA-N 285.353 4.653 30 10 CJEE C=CCC[C@@H](C)Cc1cccc(Br)c1 1955222454 YCJLHYPOGXMVGM-LLVKDONJSA-N 253.183 4.594 30 10 CJEE N#Cc1c(Cl)cccc1OCc1cccc(C(F)F)c1 1963640981 FPTUBKAYPULIJD-UHFFFAOYSA-N 293.700 4.728 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(F)cc1Cl 1964171547 KNAGGYSRODIUTL-NWDGAFQWSA-N 269.791 4.875 30 10 CJEE CCCCCCCCCCN1CCC[C@]2(CCCO2)C1 1964174720 OFNHLMMWFMJBPQ-SFHVURJKSA-N 281.484 4.772 30 10 CJEE CCCC[C@@H](CC)CSCc1cccc(CC#N)n1 1968272631 IFPXZRBSWZDAMH-CQSZACIVSA-N 276.449 4.597 30 10 CJEE CCc1nc(Sc2ccc(C)cc2C)c(C#N)cc1C 1968370541 IRVDXQROMLAOME-UHFFFAOYSA-N 282.412 4.592 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(Br)s1 1975332488 HMVVREONBNLMPK-JTQLQIEISA-N 288.254 4.518 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccccc1Br 2003672189 SOOGRMHSXNPTBG-OAHLLOKOSA-N 296.252 4.976 30 10 CJEE C[C@@H]1CCC[C@H]1[C@H](C#N)c1ccc(F)cc1Cl 2006741455 HAGXYOJVUZJDSM-XWIASGKRSA-N 251.732 4.522 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(Cl)c(C)c1 2009480607 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C[C@@H]1C[C@H](OCC2(CS)CC(C)(C)C2)CC(C)(C)C1 2344969801 CRIHWUJJNCHMFK-KGLIPLIRSA-N 284.509 4.954 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc(F)c(Cl)cc1Cl 2349919450 YKQCRDDHKLAORF-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CN(Cc1ccc(Cl)cc1)C[C@@](C)(CS)C(C)(C)C 2352291116 SDZCGJJGKJEKAJ-INIZCTEOSA-N 299.911 4.754 30 10 CJEE CSc1cc(OCCCCCC(C)C)ccc1C#N 2353824247 KFTULEQAOPLXAF-UHFFFAOYSA-N 277.433 4.875 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC 2357492300 NXTDJKXLXQYORA-AKHDSKFASA-N 269.432 4.504 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2357821912 HFTNOLXTCYTIME-XWTMOSNGSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2OCCC[C@@H]21 2360179747 LMFNXBXMHXAKPD-TVFCKZIOSA-N 281.484 4.673 30 10 CJEE C[C@@H](N[C@@H](CC#N)c1ccccc1)c1ccccc1Cl 55018168 MKIYMGIEAZYQQL-DYVFJYSZSA-N 284.790 4.646 30 10 CJEE N#C[C@H](Cc1cccc2ccccc12)c1ccccc1F 57739075 QLOCXGXDYWRZGB-INIZCTEOSA-N 275.326 4.829 30 10 CJEE CC(=O)c1ccc(/N=C/c2c(C)cc(C)cc2C)cc1 59518436 GLVLLQLMQZNVKY-YBFXNURJSA-N 265.356 4.565 30 10 CJEE C=CCCC[C@H](NCC)c1cccc2ccccc12 71277123 JNVMXKHSBMKCBW-SFHVURJKSA-N 253.389 4.847 30 10 CJEE SCc1sc(CSc2ccccc2)nc1C1CC1 82436034 TXVMAPRPZTVVDK-UHFFFAOYSA-N 293.482 4.743 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc(Cl)cc1 86580073 CJSQMZZTTWSSLJ-MRXNPFEDSA-N 289.806 4.877 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1C#N 88513539 UCGDWECBDBVSAM-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCC(C)(C)CC2)C1 94859571 MWJOXRUDTHJBOM-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cccnc1 105840276 PMWWLEBBLRAGAZ-INIZCTEOSA-N 262.441 4.873 30 10 CJEE CCCCCCCOCc1nc(Cl)ccc1Cl 110113396 ORFZLELSMCCVGE-UHFFFAOYSA-N 276.207 4.875 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)Cc2cccc(C)c2)C1 110263475 PGPRSSVCZJIDQO-YTQUADARSA-N 284.447 4.535 30 10 CJEE CCCCCCCCOCCCCCCNCCC 112718121 ZMLSOZYUERATOX-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCCN1C[C@](C)(CC)NCC12CCCCC2 115242129 XOYFOXWWLVGQOQ-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCC[C@@H](O)C1(C#N)CCCCCC1 118274102 NLRGIQYFHNZPGI-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCCCOCC[C@H]1CCC[C@H]1NCC 118779596 HNLUAVHFERSBIW-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C#CCCC[C@@H](NCCC)C1(CC(C)C)CCCC1 122816806 UQUIUBASNGWODW-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE Cc1ccc(C(=O)C2=CCCCCC2)cc1Br 129451990 ZCKMOMKOIHUSQH-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1OC)c1ccccc1 129952538 XVZWMMNULUJRCI-MRXNPFEDSA-N 280.371 4.520 30 10 CJEE N#CCc1ccc(N[C@@H]2CC[C@H](c3ccccc3)C2)cc1 130616540 HBGVJDGHAUQXFV-PKOBYXMFSA-N 276.383 4.501 30 10 CJEE CCCCCCCC[C@@H](NCC)c1occc1C 133206040 YHCNEIOAFWMRNE-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE CCCCCCCCN1CCCCCCCC1=O 137128845 LTYBTPFAKCFABR-UHFFFAOYSA-N 253.430 4.530 30 10 CJEE CCCCCCC[C@@H](N)CCCc1cccs1 139608152 GOGRAWVZJWGXLT-CQSZACIVSA-N 253.455 4.759 30 10 CJEE CCCCCCCc1cc(C(=O)OC(C)(C)C)c(N)s1 142767241 KVYCIWNWIBBZCL-UHFFFAOYSA-N 297.464 4.799 30 10 CJEE CCC[C@H](OCC)c1nc(-c2cccc(C#N)c2)cs1 156742416 UYKVMEDCTHANNS-HNNXBMFYSA-N 286.400 4.559 30 10 CJEE CCCCCCCCCCC[C@H](NN)[C@H](C)CC 159833739 RLQCOAODGRNZOY-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccncc1C 165085924 UXFOFYCPPHTHSH-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCCC(=O)Cc1cc(C)nn1C 166669419 IAGNMXAYNCXPKO-UHFFFAOYSA-N 292.467 4.761 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 212151027 PISYZPPNEUVADH-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CC(C)c1ccc([C@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)cc1 218350486 ZOWJNTBLXDESOH-JLSDUUJJSA-N 271.404 4.563 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@@H]2CCCC[C@@H]2C)cc1 219577145 DFOTYEQLRUMDSR-QGTPRVQTSA-N 270.420 4.543 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(Cl)c1C 220607550 POWXVWBQPRFQHT-INIZCTEOSA-N 282.859 4.903 30 10 CJEE CCCCCCCCOc1cc(F)cc(/C=C/C(=O)O)c1 223567965 GUELYEVQFNIXCL-CMDGGOBGSA-N 294.366 4.663 30 10 CJEE CCCCCCCCNC1=NC[C@@H](CC(C)(C)C)S1 226171001 PLKUGNRIEODEHX-CQSZACIVSA-N 284.513 4.844 30 10 CJEE Nc1cc(Cl)c(Cl)c(C(=O)C2=CCCCCC2)c1 227086780 ZQGUDYULTDFOKT-UHFFFAOYSA-N 284.186 4.649 30 10 CJEE CCCCCCCCCCCCNCCC[C@@H](C)CO 228358982 HYPDMWKIEVLDRT-GOSISDBHSA-N 285.516 4.906 30 10 CJEE CCCCCCCC[C@H](CC1CC(OCC)C1)NCC 232178470 DFQVNPLCHFIRIQ-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(C(F)(F)F)cc1 232514851 PIGLIPJCSUMGAH-UHFFFAOYSA-N 284.325 4.837 30 10 CJEE CCCC1CCC(Nc2ccc(C)cc2C#N)CC1 232939946 GCKQANUVUBGZTF-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(SCC)cc1 233583013 UMPANCATZOGGQN-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE C=CCCCCCC(=O)c1cc2ccccc2cc1N 236351567 JTKJOKWVHGHZAV-UHFFFAOYSA-N 267.372 4.741 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H]2CC[C@H]1C2 250824899 NCFRWASKEFUMCR-YESZJQIVSA-N 251.458 4.905 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3C[C@H]4CC[C@H]3C4)n2)c1 252833178 ZNCSQJWJKUTQAS-CORIIIEPSA-N 280.396 4.585 30 10 CJEE C[C@@H]1CC[C@@H](OCc2ccc(C#N)cc2Cl)C[C@H]1C 252928579 QXKVFOHMKYRQLO-LALPHHSUSA-N 277.795 4.553 30 10 CJEE N#CC1(c2ccc(SCC3CC3)cc2)CCCC1 260071328 AGGNCIVFNVSGJI-UHFFFAOYSA-N 257.402 4.524 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)cc(F)c1F 311431188 CULQOZMOLWTXKW-CQSZACIVSA-N 273.342 4.725 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccccc2C(F)(F)F)C1 312806640 RJTZFDUWGDRBQS-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE Cc1cc2c(C3(C#N)CCCCCCC3)ncnc2s1 380357491 MMCYKVRGOOZBRC-UHFFFAOYSA-N 285.416 4.505 30 10 CJEE CCCCCCCCCC[C@@H]1[C@@H]2C[C@@H]3[C@H]1NC[C@@H]3C2 381256010 WBVDKBPIVVSMCR-JCECYMMASA-N 263.469 4.761 30 10 CJEE CCN([C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N)C(C)(C)C 382167933 USUHXEGUBDNOBY-OWCLPIDISA-N 278.484 4.851 30 10 CJEE C=CCCCCCCN[C@H](CCC(C)C)C1CC1 385053118 OJHCJMHVEBGHSR-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE C=C(COCCC)[C@H](NCC)C1(CC(C)C)CCCC1 387519364 JZGRMTZEJSMABN-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H](C)CCCC 388423573 PLDZKKQQTVRKNB-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C=CC[C@H](CC)Nc1nc(Cl)c(Cl)cc1Cl 393823803 WNZLINXDKIJJCU-ZETCQYMHSA-N 279.598 4.808 30 10 CJEE CCC[C@](C#N)(Nc1ccc(Cl)cc1)[C@H]1CC1(C)C 397679905 JZSWFNMBGZFRMD-GOEBONIOSA-N 276.811 4.860 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1c(F)cccc1Cl 398149946 DCGCKPNGAHIEPF-NWDGAFQWSA-N 269.791 4.875 30 10 CJEE CCCC(CS)(CCC)COC[C@H](C)C1CCC1 398442227 PDNIBVGJHNBDKN-AWEZNQCLSA-N 272.498 4.956 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H](CC)CC(F)(F)F 402646586 QVIXZKKBZSOHQP-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](C)CC(F)(F)F 402903748 RNBSYSBRVJUFDE-STQMWFEESA-N 265.363 4.690 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC[C@H](C)C1 410393835 RPXXVXXRDQZUAL-HOCLYGCPSA-N 271.404 4.570 30 10 CJEE C=CCCCNC1CC(c2ccc(C(F)(F)F)cc2)C1 448032261 WFIRFWCDPJVRSS-UHFFFAOYSA-N 283.337 4.507 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C 464566756 BSOSQFCSQZKHAE-CYBMUJFWSA-N 259.393 4.525 30 10 CJEE C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1F 512293567 FYHATXBTIMJRPO-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=C(CC)CSCc1sc(C)nc1C(F)(F)F 545342937 NZQYVOJHOHZVAW-UHFFFAOYSA-N 281.368 4.670 30 10 CJEE C#CCCCCC[C@H](O)C1CCC(C(C)(C)C)CC1 686675602 AXWWQRNALGCXNB-JCYILVPMSA-N 264.453 4.784 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)c(C)s1 686701277 IKXHOLIHAGIKEI-INIZCTEOSA-N 277.477 4.989 30 10 CJEE CCC1(/N=C2/NC3(CCCCC3)CCS2)CCCCC1 687318316 ICSHFXNWPCPZJF-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCOC(C)(C)C)C1 688006471 OJLMDYVIKGCVRR-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE Cc1c(Cl)cc(NC[C@@H](C#N)C(C)(C)C)cc1Cl 690289043 UVWNMFPMHAVTDV-SNVBAGLBSA-N 285.218 4.900 30 10 CJEE N#C[C@]1(C[C@H]2CC3CCC2CC3)CCc2ccccc21 691751633 AGXAEBRTNVGSHX-IUSFWMAGSA-N 265.400 4.611 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C(C)C)nc(Cl)n1 692249923 AWWGVJKBVUOVOL-QWHCGFSZSA-N 293.842 4.800 30 10 CJEE N#CC[C@@H](NCCCC1CCCCC1)c1ccccc1 694075074 GXMGPVKXLPZQLV-GOSISDBHSA-N 270.420 4.591 30 10 CJEE C=CCCSCCN[C@@H]1CCCC[C@@H]1c1ccccc1 696062734 OKBFXLGZTOYWJH-QZTJIDSGSA-N 289.488 4.612 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)[C@@H](C)N 696943330 NGCYUURPVRWBBF-BBWFWOEESA-N 271.489 4.642 30 10 CJEE 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30 10 CJEE SCCCCCCCN1CCC2(CCCCC2)C1 2263206467 QXUMZLVWZOPSLI-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE CCCCCC#CCNCC[C@@H]1CCCCC12CC2 2264854585 FCODWQVQEBGVQF-KRWDZBQOSA-N 261.453 4.520 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1CC(F)(F)C12CCC2 2266152052 JAGMKMNOCPMNDU-UONOGXRCSA-N 271.395 4.666 30 10 CJEE C=C1CC(C[C@@H](C[C@H]2CCCC23CC3)NCCC)C1 2266597546 SKEJIRIYJCRRMS-SJORKVTESA-N 261.453 4.681 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)c1csc(C2CC2)c1 2267895712 LJMYDOHIYZSRFN-UHFFFAOYSA-N 286.783 4.513 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CC1CCC1 2268736602 CACQHAOMPKVEHJ-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE CC(C)=CCC[C@@H](C)CCOc1ccccc1C#N 2269405800 JVABZRCUYSSXJC-OAHLLOKOSA-N 257.377 4.710 30 10 CJEE CO[C@H](CC(C)(C)C)CC1(C#N)CCC2(CC1)CC2 2271710114 FUUVBNOJZUICFR-CQSZACIVSA-N 263.425 4.692 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc(F)cc(C(F)F)c2)CC1 2271744467 FOFSUJAWJANVBV-VIFPVBQESA-N 268.278 4.692 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@H](C)Oc1cccc(Cl)c1 2271785439 MYPFSMVFCIWWQL-XJKSGUPXSA-N 281.827 4.571 30 10 CJEE CC(C)CCC[C@@H](C)CCO[C@@H]1CCCC(=NO)C1 2272354541 IBCNAIYMRZIHPO-GDBMZVCRSA-N 269.429 4.628 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC[C@H]2C)c(F)c1F 2274092036 TWKXTLICZTZRQT-MLGOLLRUSA-N 263.331 4.536 30 10 CJEE C=C(C)CCCCNCc1cccc(C(C)(C)C)c1 2274437387 BTTPYHLQXVGUKN-UHFFFAOYSA-N 259.437 4.820 30 10 CJEE CCCCCCC[C@@H](CC1CCCCC1)OCCN 2276509644 KJRLQHQSWHLETI-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CN(CCCCCCCS)C[C@]12CCCC[C@@H]1CC2 2277502240 QWJHSZBDKJCXFK-IAGOWNOFSA-N 283.525 4.769 30 10 CJEE CN(CCCCCCCS)CC12CCCC1CCC2 2277510696 WDLMSKXUOFMTPG-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC[C@]1(C)NCC2(CCCC2)O1 2278124328 ILKVIRXTQKHZOW-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)OCC 2278235018 MDIDEAYOUALFKC-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nccn1C(F)F 2280073078 VVSDCMWLSCHEQL-CYBMUJFWSA-N 288.382 4.842 30 10 CJEE C#CCCCC[C@@H](NCCC)c1c(F)cc(C)cc1F 2283508202 XNDNZIHAJQZRFB-MRXNPFEDSA-N 279.374 4.508 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@@]1(C)COC 2284728682 WUQFDMQIKIJYKY-FGTMMUONSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@H]2N 2287072265 LKSQGSLLECSLKX-OAHLLOKOSA-N 290.476 4.646 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(NCC)C(C)C 2287096107 HKLZYJVRLKJMAF-QGZVFWFLSA-N 296.524 4.774 30 10 CJEE C=CCCS[C@H](c1ccccc1)[C@H](N)c1ccccc1 2287195675 RGUHAHIONKFEED-QZTJIDSGSA-N 283.440 4.737 30 10 CJEE C=CCCS[C@@H](c1ccccc1)[C@@H](N)c1ccccc1 2287195676 RGUHAHIONKFEED-ROUUACIJSA-N 283.440 4.737 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)c1ccc(C(C)(C)C)s1 2287377565 IGOAUUTWATYUFS-MRXNPFEDSA-N 294.460 4.785 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H](O)[C@H](CC)CCC 2287669101 GGVCOOZHSUFQJL-FGTMMUONSA-N 283.500 4.678 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](C)c1ccccc1Cl 2287681420 KXSXYRXEAISHCL-RHSMWYFYSA-N 295.854 4.728 30 10 CJEE C=C[C@@H](C)CCNCCCCCCCCCCCCO 2289423014 FJZRJLLPBDPHSM-GOSISDBHSA-N 283.500 4.682 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C 2289792702 ZHAHNJVIMCUXCH-SZVBFZGTSA-N 275.480 4.621 30 10 CJEE C#Cc1cccc(N(C)CC2CC(CC(C)(C)C)C2)c1 2289949015 AFLRAESLRUUYSZ-UHFFFAOYSA-N 269.432 4.567 30 10 CJEE C=CCCCC1(OCCC(=O)O)CCC(CCC)CC1 2290644243 OZBIULMZAZQZGZ-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](CCC1CCC1)OCC(=O)O 2291066701 WRUMWUFXFJEMRA-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)c1cscc1C 2291124043 JYJJOIUVUHEIGZ-MRXNPFEDSA-N 298.448 4.733 30 10 CJEE C/C=C/CCC[C@](C)(CCCCCCC)OCC(=O)O 2291375060 BOHBIJPEOKYQJB-QQOXCAACSA-N 284.440 4.953 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)[C@H]1CCCC(C)(C)C1 2293139329 QUNJVDFMZAOSBE-YESZJQIVSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1c(C)nsc1C 2293584132 LWXYIFIVYKGSLT-OAHLLOKOSA-N 298.496 4.527 30 10 CJEE C=C1CCC(C[C@](C)(OCCN)[C@H](C)CC(C)C)CC1 2294117741 UBDJZMMRRDSMSY-AEFFLSMTSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1cscc1C 2294264655 VNPIWOQZNDBSQR-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE N[C@H](C#Cc1ccccc1Cl)c1ccc2sccc2c1 2295213429 BWMZVWRNRJYBQL-MRXNPFEDSA-N 297.810 4.606 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCCC[C@H]1C 2295522265 MACPOZVRBFDZRG-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE COCC1(C[C@@]2(C#N)CCCC(C)(C)C2)CC(F)(F)C1 2295609666 WYLXOJLSMPGQLH-CQSZACIVSA-N 285.378 4.549 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCC=C(C)C 2295675427 BEYSMSHCEJTMMS-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C1CCCCC1 2295679959 UYGJEEVRCJABNA-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCC[C@H](CC)CSC[C@H](O)c1cccc(C#N)c1 2295795229 KNOCFWJTWCJORK-YOEHRIQHSA-N 291.460 4.541 30 10 CJEE C=C(C)CN(C)CCCCCCCCCCCNCC 2296289608 TURLIFVIHNQWCM-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE CCCCC#CCNc1ccc(C)c(C)c1Br 2299841990 WIXKQCHFJNNXMT-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc(Br)c1C 2301049394 XEJNFSZYHBFRHW-HNNXBMFYSA-N 295.220 4.559 30 10 CJEE C=CCC(CC=C)SCCCNc1ccccc1 2313691643 HKKUGYYXGCYTSK-UHFFFAOYSA-N 261.434 4.743 30 10 CJEE SCCCCCCOc1cccc(C2CCC2)c1 2314783719 LFDTWFIBTQKEHF-UHFFFAOYSA-N 264.434 4.823 30 10 CJEE C=CCC(CC=C)[C@H](N)CSc1cccc(Cl)c1 2316737008 RZRDRAXCKHPNCD-OAHLLOKOSA-N 281.852 4.528 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(C)cc1Cl 2316750078 QCMWAJQXIJGVFQ-MRXNPFEDSA-N 263.812 4.677 30 10 CJEE CCC(C=O)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2317891055 OITAGAFNGKSRKL-UHFFFAOYSA-N 289.202 4.550 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@@H]1CCC(C)(C)C1 2319072577 LKVBDSLZEOESON-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc2sccc2c1 2321222033 FWVFVMQRWJQGHY-HOTGVXAUSA-N 260.402 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(CSC)c1 2321228248 LGJWBERROHFAAB-HZPDHXFCSA-N 264.434 4.575 30 10 CJEE CCCCCCC[C@](C)(SC[C@H](C)CC)C(=O)O 2326905384 ZPTCDSBDSMQZHO-HIFRSBDPSA-N 274.470 4.970 30 10 CJEE Cc1cc(Cl)c(C(=O)C2=C[C@H]3CC[C@H]2C3)c(Cl)c1 2327923363 MTTDBQBQWZBMOS-UWVGGRQHSA-N 281.182 4.841 30 10 CJEE C=CC[C@@H](C(=O)O)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327984610 QQTAOORGWDEJKZ-GZMMTYOYSA-N 287.186 4.682 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329821196 GAGPIERDRVNPDO-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE CC(=NOCc1ccccc1Cl)c1ccc(C)cc1 2330449431 BRHNZXQKKQVEFJ-UHFFFAOYSA-N 273.763 4.589 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H]1C[C@H]1C1CCCC1 2332701412 BFPHKMQQRGMQES-SPUZQDLCSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CC[C@H]1OC 2333726905 SPBPBQQVZRKZHJ-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](C)SC[C@H](NC)c1c(C)cc(C)cc1C 2335104116 WBPNVCMFWGPIPS-HOTGVXAUSA-N 277.477 4.570 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](C)NCCC)cc1F 2335239095 ROLIRPOHOUAYFZ-STQMWFEESA-N 281.440 4.943 30 10 CJEE CCCCCC#CC[C@H](N)c1ccc(F)c(C)c1Cl 2338544095 DDWKBLKHZQZTLP-HNNXBMFYSA-N 281.802 4.761 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(F)cc(Cl)c1 2338748366 XXXURFSIDMEWTI-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE CCCCCC#CC[C@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2 2338787470 NSNAJOSWBJZBRO-XSLAGTTESA-N 262.437 4.538 30 10 CJEE CC1CCC(C=O)(C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338903494 GIYGEVNFSZQNAB-NNCLKIPCSA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NCCC 2344340838 WESRVSNRJWAHTG-ATIWLJMLSA-N 261.453 4.559 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@]12CCC[C@@H]1C2)NCCC 2344342686 ASZSFYWBWBKJNA-RYRKJORJSA-N 263.469 4.927 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1ccc(F)cc1Cl)C2 2345007217 XPFINAJRSNRIDY-UHFFFAOYSA-N 277.770 4.841 30 10 CJEE C=CC[C@@H](C)SC1(C(=O)O)CCC2(CCCC2)CC1 2352220280 DZTWABJCTSGKIU-CYBMUJFWSA-N 282.449 4.642 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@@H]1CCCCC12CCC2 2353841761 SDIDBBARUHEFIB-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE C=C(c1ccccc1)[C@@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2357491945 GBXNLNPZQQVJDN-CADBVGFASA-N 270.416 4.667 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2357698011 MTENCJIWTQGFQR-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1CC[C@@H]2C[C@H]12)NCCC 2358138092 HFKZABXMFUVQFD-NCXUSEDFSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#CC1CCCC1)[C@@]1(C)CC[C@@H](C)C1(C)C 2359890498 ATTYJUOPEPPCHY-HHXXYDBFSA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)Oc1ccc(Cl)cc1CNC(C)C 2360219086 ZDQFCYZWXXWOBH-UHFFFAOYSA-N 293.838 4.738 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCC[C@@H]2NC 2360378046 YPRKCIHOKPYKNL-SFHVURJKSA-N 287.472 4.896 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 20549443 JOYXXBCGXKFGAE-CQSZACIVSA-N 272.351 4.885 30 10 CJEE N#Cc1ccc(Cl)cc1NC1CC(c2ccccc2)C1 36954530 OTIAPSOARNZEKI-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1 54823714 FDSJTMAMSFTGJY-HZMBPMFUSA-N 283.202 4.878 30 10 CJEE Cc1ccccc1CS[C@@H]1C[C@H](C)CC[C@@H]1C#N 54964082 LTKHTESWQHAWDY-XNRPHZJLSA-N 259.418 4.557 30 10 CJEE N#CCCn1c(C2CCC2)nc2cc(Cl)c(Cl)cc21 57805238 XCKSHUFTVUXSPL-UHFFFAOYSA-N 294.185 4.524 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1C#N 59187854 KTQQREZMYIEESW-BZUAXINKSA-N 251.414 4.692 30 10 CJEE C=CCCn1cc(CCCCNCCC)c2ccccc21 80061015 HVRASYIHOZLDFB-UHFFFAOYSA-N 284.447 4.540 30 10 CJEE N#C[C@H](CSc1ccccc1Cl)c1ccccc1 80800621 RMULPYIKARNXOT-CYBMUJFWSA-N 273.788 4.739 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)c2ccc(Cl)cc2)CC1 91880851 JRRJKBPXBXAYPP-PWZRNIHTSA-N 291.822 4.730 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1ccc(F)cc1 94581321 HVYOTUBUGXLCRP-UHFFFAOYSA-N 297.483 4.774 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(F)c(Cl)c1 97635490 KPAUAZJTWFFFMT-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCC/N=c1\sc2ccccc2n1C 102994355 DKKMJMCYWRCPLU-MSUUIHNZSA-N 276.449 4.501 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc(OC)c1 104192905 NLCHRBLJXICSKT-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCCC[C@@H](O)Cc1ccccn1 107680607 JVJLTKLLZOKAPO-QGZVFWFLSA-N 263.425 4.516 30 10 CJEE CC#CC[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 109723324 ZRJSSZAVMGKUPO-SFHVURJKSA-N 285.475 4.535 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C1CCC(CC)CC1 110020638 JEXKFLRKMGZRKK-ACBHZAAOSA-N 296.543 4.965 30 10 CJEE CCCCCCCC[C@H](CN)Cc1ccccc1OC 110182036 UDNKKUKNIOABJR-INIZCTEOSA-N 277.452 4.563 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(OC)c(OC)c1 112888783 YZPYCSIXHYNOPC-MRXNPFEDSA-N 293.451 4.715 30 10 CJEE CCCCCCC[C@H](O)c1cccc2cccnc12 115836562 YQDAWBDPXBTSSC-INIZCTEOSA-N 257.377 4.629 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCOc2ccccc21 115844912 BGXGOZOVWKALMN-AEFFLSMTSA-N 289.463 4.891 30 10 CJEE CCCCCCCCC[C@H](O)c1cn2ccccc2n1 116662984 HDSRGQXJFBJLOA-INIZCTEOSA-N 274.408 4.508 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@](C)(CC)N(C)C 118153527 KUWWDRPFXIJFNX-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CC(C)c1cccc(Oc2cc(C#N)cc(Cl)n2)c1 122555621 DZGBGESMWRRBPN-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1COc2ccccc21 124657725 MAKVAAUTRSWCEF-DLBZAZTESA-N 275.436 4.631 30 10 CJEE C=CCN(c1ccccc1[C@H](CC)NCCC)C(C)C 127794106 IVFAPRXOZBRBBN-KRWDZBQOSA-N 274.452 4.538 30 10 CJEE CCCCCCCCCCNc1ncnc2c1CCC2 129398841 NKIYWXYYMNJDQW-UHFFFAOYSA-N 275.440 4.518 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCSC1 135560052 XZFNSXQOLHSCSC-CABCVRRESA-N 258.471 4.631 30 10 CJEE Cc1cc(Oc2cc(Cl)cc(Cl)c2)c(C#N)c(C)n1 157482214 OEHSXXGVLLYATL-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(F)c1F 158948575 YHZYVQXCQWTBJI-OAHLLOKOSA-N 269.379 4.976 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(F)cc1Cl 164573399 SQUKDQJXJCKCJE-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cc2F)CCc2ccccc2C1 164668492 XADWWUMBHBRAKB-GOSISDBHSA-N 299.776 4.720 30 10 CJEE C/C(=N\c1cccc(Br)c1)c1ccccc1 196384487 CUAMSPSCLWAQOI-LFIBNONCSA-N 274.161 4.590 30 10 CJEE Cc1cc(Oc2c(C)cccc2C#N)ccc1Cl 221139577 MPEQFMKMDDOJGQ-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCC[C@H](O)c1ncc(C)cc1C 227562245 SCPXHQRXHUVODY-INIZCTEOSA-N 263.425 4.873 30 10 CJEE CC#CCC[C@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229321775 BUXDYXRTRSSTDS-YUUDKIHESA-N 287.491 4.765 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1 229374680 PXMQOEQQFRAGSJ-UKRRQHHQSA-N 282.811 4.885 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc2c(s1)CCCCC2 229757364 DJDJRWSMCPXQHU-CQSZACIVSA-N 263.450 4.634 30 10 CJEE C#C[C@H](CCC)N[C@@H](C)c1sc2ccccc2c1C 229921217 QGEFADKFECYNOA-UONOGXRCSA-N 271.429 4.662 30 10 CJEE CCCCCCCCCC[C@@H](N)CCOCC(F)(F)F 232083837 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ICAVWYFSBUGQLI-UHFFFAOYSA-N 266.541 4.599 30 10 CJEE C=CCC1(C(=O)N2[C@H]3CC[C@H]2c2ccccc23)CCCC1 336217225 QBRBLZAJXKVTMI-IRXDYDNUSA-N 281.399 4.541 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C)ns1 385702679 GEZOWIYYTHUYOH-CQSZACIVSA-N 268.470 4.853 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cc(C)cc(Cl)c1 387406875 BUCVENKWNQEKIN-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2cc(Cl)c(F)cc21 393781252 AHULQUJRLWXMTK-MRVPVSSYSA-N 284.787 4.645 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2cccc3ccsc23)N1 398499690 XDZKAOZZEZHKCN-HNNXBMFYSA-N 290.457 4.640 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]3C=C[C@H]2CC3)C1 402383052 IJJWCRYPVJTYES-RSJGLCBASA-N 260.421 4.764 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(C)c1ccccc1 410350227 CXTOYIWKJQTMKU-UHFFFAOYSA-N 293.410 4.722 30 10 CJEE CCCCCCC[C@]1(CNCCC)C[C@H](C)O[C@H]1C 686451909 AMTQWNZABVNZLA-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCC1CCC(C#N)(CCCOC(C)C)CC1 690526408 KWCCSFRRYVEZLB-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE C=CCC1(NCc2cccc(C(F)F)c2)CCCC1 690802927 CWVVSWXFELUYHW-UHFFFAOYSA-N 265.347 4.603 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(Cl)cs1 692238801 GGEIKYSBQVJWDC-SMDDNHRTSA-N 269.841 4.626 30 10 CJEE O=C(/C=C/Cl)c1ccc2cc(Br)ccc2c1 693496090 QQGHPSKPSCBIAX-AATRIKPKSA-N 295.563 4.538 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC(C)(C)CC(F)(F)F)C1 694126994 KUEMUODOYZPGHV-AAEUAGOBSA-N 264.331 4.751 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc2ccccc2c1 696060575 GNZHEXCMGAJZIX-HNNXBMFYSA-N 285.456 4.800 30 10 CJEE CC(C)c1nc([C@H](O)C2(C#N)CCCCCCC2)cs1 696402629 FSCMDZBXQJXYKC-AWEZNQCLSA-N 292.448 4.554 30 10 CJEE Cc1ccc(Cn2ccc3cc(Cl)ccc32)cc1C#N 701869608 OUDKZDICHYMRPB-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCCCNCC1(c2ccccc2)CC1 702885344 FOAWZRITCUSOMV-UHFFFAOYSA-N 259.437 4.668 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)sc1Cl 715788299 PSANVPJOVSLPGS-GZMMTYOYSA-N 278.248 4.918 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCc2cccnc21 716240110 CYJOUYHKFSVQFC-GOSISDBHSA-N 274.452 4.713 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H]1CC(C)(C)CO1 717369731 CJWNLQZUCYXAAP-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CC[C@@H]1N/C(=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)S[C@H]1CC 723657613 BEDKBBJVRLGFEE-OTJKEOIZSA-N 294.508 4.595 30 10 CJEE C=C1CCC(CNc2nc(C(C)C)nc(Cl)c2C)CC1 724452957 XAYZWFDVRJNBFN-UHFFFAOYSA-N 293.842 4.720 30 10 CJEE C=C1CCC(CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 724592807 UOLNTTDIDKLBCW-UHFFFAOYSA-N 272.432 4.908 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1124243622 AIJXLFSXMVNMAZ-UHFFFAOYSA-N 291.700 4.654 30 10 CJEE C=CC1(CC(=O)N(C)[C@H]2CCC(C)(C)C2)CCCCC1 1128694234 ZDRGSFMXOGIDCJ-HNNXBMFYSA-N 277.452 4.550 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 1135509439 STNVGUJEYLJASX-IRXDYDNUSA-N 289.463 4.552 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@H](CC)C2CCC(C)CC2)C1 1165745315 USBDDHYICHTHEG-GPQLOAJWSA-N 291.479 4.654 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCO[C@H](C)C1 1168144386 VXRZFQAUIUHHJM-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CC(C)C1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 1178971502 IDSMUMFBFAXTIN-NLPFYKDJSA-N 296.458 4.740 30 10 CJEE C=CCCCCCN1C[C@H](C)C[C@H]1c1ccccc1F 1191317923 ODSVBPNMISKJFK-QAPCUYQASA-N 275.411 4.955 30 10 CJEE C=CCC1(CNC2CCC(CSC)CC2)CCCC1 1205789178 KUNVQEAQMPDYDC-UHFFFAOYSA-N 281.509 4.634 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC(C)(C)Cc2ccccc2)C1 1308269061 UJCJPYMJOMUVTP-AEFFLSMTSA-N 271.448 4.590 30 10 CJEE C#CCCCCCCNc1ccc(C)c(SC)c1 1308844782 WZXGSASRZMEAMG-UHFFFAOYSA-N 261.434 4.713 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 1458132799 FQYOYJAHTLDHOI-INIZCTEOSA-N 299.439 4.802 30 10 CJEE C=CCCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 1460061278 VIMZFQRPRYIZKI-UHFFFAOYSA-N 289.728 4.514 30 10 CJEE CCCCCCCCN1CC[C@@H](Oc2ccccc2)C1 1460469703 HNHASFJYDMJUHE-GOSISDBHSA-N 275.436 4.500 30 10 CJEE C=CCOc1ccc(CN[C@@H](CC)C[C@H](C)CC)cc1 1462218103 FMNRRRQVJPZHGU-WBVHZDCISA-N 275.436 4.556 30 10 CJEE C=CCCCCCN(C)[C@@H](C)c1ccc(F)c(F)c1 1473179065 NZIOJTMGMVVXDH-ZDUSSCGKSA-N 267.363 4.704 30 10 CJEE C=C(CC)CN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 1473228690 BBXNSKNIAMQLNC-ZDUSSCGKSA-N 263.812 4.832 30 10 CJEE C=CCCC(C)(C)NCc1c(Cl)ccc2cccnc12 1474219778 NMRHREIDQSMSQX-UHFFFAOYSA-N 288.822 4.723 30 10 CJEE Cc1sc(NC(=O)CC2CCCCCC2)c(C#N)c1C 1521054976 BSYHECUFDDWTPJ-UHFFFAOYSA-N 290.432 4.536 30 10 CJEE C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 1521623883 NEOCZCBWJVIHLY-CMKODMSKSA-N 299.458 4.679 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)CCC=C(C)C)c1ccccc1 1521931591 HFUVXOACSSNTQK-IRXDYDNUSA-N 285.431 4.597 30 10 CJEE C=CCN(C(=O)c1cc(C)c(C)cc1Cl)c1ccccc1 1525887405 JLXRIHWNQZWXKM-UHFFFAOYSA-N 299.801 4.790 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C(CC)(CC)CC 1531084787 FNAXFJSFQNFKQD-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(C=C)CCCCC1 1532324297 AIICTVVUHVZOGF-DLBZAZTESA-N 289.463 4.764 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1cc2ccc(F)cc2s1 1536777598 IHBBCIVYBDGTST-NSHDSACASA-N 291.391 4.515 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C2CC2)cc1F 1563210196 SYBWOYMJFIPXRD-UHFFFAOYSA-N 290.382 4.569 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc2ccc(C)cc2c1 1585792316 CPLLCYDMWUKUGQ-CQSZACIVSA-N 268.356 4.656 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C(C)(C)C)cn2)c1 1585978006 SPRMORFYRCQWSR-UHFFFAOYSA-N 294.398 4.665 30 10 CJEE CC#CCS[C@@H](C)c1cccc(C(F)(F)F)c1 1614754930 BLNRHSSYVLNPDG-JTQLQIEISA-N 258.308 4.523 30 10 CJEE C=CCCCCCCCNCc1c(C)cc(C#N)cc1C 1620958672 WZFMJDKQOTZJQM-UHFFFAOYSA-N 284.447 4.791 30 10 CJEE C=CC1(CC(=O)Nc2ccc(Cl)cc2O)CCCCC1 1633358915 AYYVRDRJWLBLAF-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C=C1CC(C)(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 1637073102 RNMPGKGOGICSJF-UHFFFAOYSA-N 284.186 4.597 30 10 CJEE C=CCCCN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1652361197 CPZDQRLJUZIZFR-CVEARBPZSA-N 297.364 4.897 30 10 CJEE C=C1CCN([C@@H](C)c2cc(Cl)ccc2Cl)CC1 1652449425 LULAQFAWOVGIIJ-NSHDSACASA-N 270.203 4.706 30 10 CJEE Cc1ccc2ncc(C#N)c(OC[C@H]3CCCC[C@@H]3C)c2c1 1652855542 DYNAWFDJNBVRPH-LSDHHAIUSA-N 294.398 4.620 30 10 CJEE CC(C)(CC#N)CN[C@H]1CCC[C@H](C(C)(C)C)CC1 1657511134 BOYPSPITQJVCIB-GJZGRUSLSA-N 264.457 4.511 30 10 CJEE Cc1cc(Cl)c(N[C@@H](C)CC(C)(C)C#N)cc1C 1658159419 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CIOPFDLDZDVBMM-JFIYKMOQSA-N 290.495 4.996 30 10 CJEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)s1 36931497 HXDOGMKPOWQVKF-OAHLLOKOSA-N 283.396 4.670 30 10 CJEE CCCN(C1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147126 TUTUKHMAAMOODQ-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE CCCS[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37156129 LPXISHODBVGQRW-OAGGEKHMSA-N 259.418 4.606 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccsc1 50341328 WVCJBHDLUQWHAG-SECBINFHSA-N 296.317 4.812 30 10 CJEE Cc1ccccc1OCCC[C@H](C#N)c1ccc(F)cc1 57685580 YLGWYZCCQRRFRM-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE CCCCCCCCCOc1cccc([C@H](C)O)c1 59292855 DJPGYMFTCNYURP-HNNXBMFYSA-N 264.409 4.869 30 10 CJEE CC[C@H](CC1CC1)Nc1ccc(C(F)(F)F)cc1C#N 70104477 RQPJGJQEBXADCQ-CYBMUJFWSA-N 282.309 4.568 30 10 CJEE CC(C)(C)c1ccccc1NC[C@H](C#N)c1ccccc1 80786611 ZVLLWKVAGAAKGB-INIZCTEOSA-N 278.399 4.703 30 10 CJEE CC(C)[C@H](CS)COc1ccc(Cl)cc1Cl 87078625 MEIGRCZQGIJXEA-VIFPVBQESA-N 279.232 4.574 30 10 CJEE C[C@@H]1CCC[C@@H]([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)C1 91903963 ZKQMBFZWVWBWEV-RWUQJRKBSA-N 291.479 4.920 30 10 CJEE CCN(C[C@H](CS)c1ccccc1)c1ccccc1C 94578694 RYTRRYJAHORQSO-QGZVFWFLSA-N 285.456 4.535 30 10 CJEE CCCCCN(C[C@H](CS)c1ccccc1)C(C)C 94580888 NDXXGPOOVCSJLI-QGZVFWFLSA-N 279.493 4.601 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(Cl)cc2)c1 103030999 YZKOUPAESAHMAK-KTKRTIGZSA-N 285.774 4.765 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(C)c(Br)c1 107497138 OVZVMONDAQVIFG-CMPLNLGQSA-N 265.194 4.520 30 10 CJEE CCCCCCOc1ccc(C[C@@H](C)CS)cc1 107576342 BFTBHOHIOKODBW-CQSZACIVSA-N 266.450 4.754 30 10 CJEE CCC#CCCc1cc(C)cc(C(C)(C)C)c1OC 107671770 CVIKXHKFXMIUGY-UHFFFAOYSA-N 258.405 4.647 30 10 CJEE CCOc1c(C[C@H](C)CS)cc(C)cc1C(C)(C)C 107672355 QMGUYAMGLIQYGM-ZDUSSCGKSA-N 280.477 4.800 30 10 CJEE C[C@@H]1CC(C)(C)C[C@](C#N)(Nc2cccc(Cl)c2)C1 110028764 DWJAPNUUNPZBLY-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE CCCCCCCCO[C@H]1CCc2ccccc2[C@@H]1NC 110083942 JYFOPESLMJZSGY-OALUTQOASA-N 289.463 4.639 30 10 CJEE CCCCCCCCCCCCNCC1CCN(C)CC1 110167574 JZXWRMSBNXIOSK-UHFFFAOYSA-N 296.543 4.839 30 10 CJEE CCCCCCC[C@@](C)(Nc1ccc(C)cc1)C(=O)OC 110318629 ZSKARXWDNFSQRN-GOSISDBHSA-N 291.435 4.699 30 10 CJEE Cc1ccc(C)c(Sc2ccc(Cl)cc2C#N)c1 110354116 RTAPQCJHVBZIMK-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C)ccc1OC 115062879 QEPACSVYBIQDQW-INIZCTEOSA-N 263.425 4.754 30 10 CJEE CCCCCCCCc1noc(N)c1-c1cccs1 115063829 PAMFAVSDZMJNAK-UHFFFAOYSA-N 278.421 4.888 30 10 CJEE CCCCCCCn1cc(C[C@@H](C)N)c2ccccc21 117595777 MGTSMQQRYGIKML-OAHLLOKOSA-N 272.436 4.501 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2cc3sccc3s2)cc1 123598254 SJRVNKISARHMHY-LBPRGKRZSA-N 297.404 4.761 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(C)c(F)cc1F 125648931 LRNLNFUDHHHLGV-INIZCTEOSA-N 267.363 4.670 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@@H](C)N(C)C1 127621892 JCUZRLMTFFJRII-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)O 131305718 XIVWQJLDDZFISW-MCIONIFRSA-N 252.398 4.506 30 10 CJEE CC1(C)CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 132740969 CGDNTZWCGLVDPU-GFCCVEGCSA-N 282.309 4.568 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1csnn1 139423317 MNIKCXUMSQFPQZ-CQSZACIVSA-N 283.485 4.720 30 10 CJEE CCCCCCCC[C@@H](O)c1c(Cl)cnn1C(C)C 158940282 MGCZGWQTXDYCQJ-CQSZACIVSA-N 286.847 4.901 30 10 CJEE CCCCCCCCN[C@H](CC)Cc1ccccc1 160779101 FXYZDJYJTHEKLT-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CC(C)(C)[C@@H]1CCN(CC2(CS)CCCCCC2)C1 163652744 VEJWNRJUZJJVQH-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CCCCCCCCC(=O)CC[C@H]1CCCCO1 164753859 WWZUWPZYHJWNEZ-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE Cc1ccc(C#N)c(SCc2ccc(Cl)cc2)c1 165988260 ZSFLIDMQRJRXHA-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 167572288 NCYLPPQZISESPV-KCQAQPDRSA-N 288.460 4.907 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C#N)cc1F 168258034 SCFBQOYSNBMLRJ-CYBMUJFWSA-N 262.372 4.858 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 214509148 LXGZGFLAVKPREG-HOCLYGCPSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCC[C@@H](CC)C1 229197865 MUHMJDKIGGUJMG-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE C=CCCCC(=O)c1cc(Cl)cc(Br)c1 236032166 OPRRVXDSZLHZGO-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CC(=NO)c1ccc2ccccc2c1OCC1CCCC1 252430467 RWZUHDVCQUSGTF-UHFFFAOYSA-N 283.371 4.607 30 10 CJEE N#C[C@]1(C[C@@H]2CSc3ccccc32)C[C@H]2CC[C@H]1C2 252811372 GSGDDYSTWRSSOL-QDEZUTFSSA-N 269.413 4.596 30 10 CJEE CC(=Nc1ccccc1C(F)(F)F)c1cccs1 253495206 JWFZCCROOBNXPL-UHFFFAOYSA-N 269.291 4.908 30 10 CJEE Cc1ncccc1/C=C\C(=O)c1cccc(Cl)c1Cl 255422666 SVEIHJOPZRMRGR-FPLPWBNLSA-N 292.165 4.593 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@H](C#N)Nc2ccc(Cl)cc2)C1 300077440 BZEXUVIAIMEYCZ-RBOXIYTFSA-N 274.795 4.636 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1C=CCCCCC1 310655532 PKUZNHUMRIEAMT-CQSZACIVSA-N 260.768 4.512 30 10 CJEE N#Cc1cc(Cl)nc(N[C@@H]2CCCC23CCCCC3)c1 313072320 KUBYOEHZPYLAAQ-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2CCC3(CCCCC3)O2)C1 317317048 VQEULWULASBCKC-ZACQAIPSSA-N 278.436 4.654 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1c(F)cccc1Cl 320202119 QROMPSKYMQBKCZ-HBNTYKKESA-N 253.748 4.768 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)Cc1sccc1C 383701025 GCFGENQOIFTJLB-KRWDZBQOSA-N 296.524 4.566 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)CCC[C@@H]1C 385050671 SNKQBZYYBYDPIL-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE Cc1cccc(N[C@H](C#N)[C@H](C)C2CCCCC2)c1 388743699 ARINEOSVTORQNK-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)c1cccc(Cl)c1 393756966 AGHYVHPWNNZKHD-LSDHHAIUSA-N 251.801 4.735 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C/C1=C/B1OC(C)(C)C(C)(C)O1 396646317 LWEWUNGPSOOOOB-KHRZRBRSSA-N 278.245 4.636 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CC(N)=S)C1 397222573 LBSFFGKNJCURAZ-MRXNPFEDSA-N 298.540 4.515 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccc(C)cn1 400601921 HGNVJLQKRMRCNI-INIZCTEOSA-N 260.425 4.567 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2c(Cl)cccc2Cl)O1 400821693 QHJJPHPCVUPLJS-UONOGXRCSA-N 284.186 4.691 30 10 CJEE C=CCCc1ccccc1N[C@H](C)Cc1ccn(C(C)C)n1 502352339 HZHDFIVVDIIGHO-MRXNPFEDSA-N 297.446 4.626 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cccc(F)c1C 686708699 NNSRYFAUKPJVTA-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCN[C@H](C)C1 691695534 FEXYDYAJLXSJSU-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c(F)c1 692205626 RNJPUBXEXXKTJW-CZUORRHYSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cs1 692238800 GGEIKYSBQVJWDC-RISCZKNCSA-N 269.841 4.626 30 10 CJEE C[C@H](CC1(C#N)CCC(C)(C)CC1)c1ccccn1 692888105 VPCSBFMPQQBTPO-CQSZACIVSA-N 256.393 4.685 30 10 CJEE CC[C@H](Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F 702920509 ONCISRHPZNCPNE-VIFPVBQESA-N 289.194 4.597 30 10 CJEE CCCCCCCC[C@@H](Cc1ncccc1Cl)NC 707359207 GUBXEOPYYTUQGZ-AWEZNQCLSA-N 282.859 4.616 30 10 CJEE CCCCCCCCCOc1c(F)cc(F)cc1CO 708485932 KJPWLJPAVPYJQM-UHFFFAOYSA-N 286.362 4.587 30 10 CJEE SCCCCCCCCCOCCCC1CC1 711629821 OASWFJLJYNFDSG-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE C=CC[C@@H](C)C1(CNCCC)CCC(CC)CC1 715815264 RCDNLESERLKSRP-KLAILNCOSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCC 716925782 LGXUVULCEMNGQR-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE CC(C)C(C)(C)CS[C@H]1CCCCC[C@H]1C#N 718828891 ZOFHBOKUEYERRZ-KBPBESRZSA-N 253.455 4.874 30 10 CJEE C=CCC[C@@H](N[C@H](C)c1ccns1)c1ccccc1 925581384 YPCIGBPGXRFFER-UKRRQHHQSA-N 272.417 4.501 30 10 CJEE CC(=O)/C=C\c1ccc(OCc2cccc(Cl)c2)cc1 1082519266 OEYBXXHAXLDXAA-WAYWQWQTSA-N 286.758 4.521 30 10 CJEE COc1ccccc1C=Nc1cccc2ccccc12 1084320379 WPBJQICJNKHQEE-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE C=CCC1(C(=O)N(CCCC)CCCC)CCCCC1 1124854769 LHCDOXIPLSUHBG-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=CCCCCCN(C)C(=O)/C(C)=C/c1ccc(C)cc1 1126398644 WNPMJFGKWUYYFN-BMRADRMJSA-N 285.431 4.603 30 10 CJEE C#CCCCCCC(=O)NCc1ccc(C(C)(C)CC)cc1 1127424406 LZMKXCMADBYDNV-UHFFFAOYSA-N 299.458 4.574 30 10 CJEE C#CCCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 1128127966 DGBMVOVYWVEJNC-AWEZNQCLSA-N 296.769 4.667 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cccc(C(C)(C)C)c2)C1 1171847244 JYXBMCZOWZGGCQ-MRXNPFEDSA-N 271.448 4.772 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C(/C)C1CC1)c1ccccc1 1176187253 APJKPPITMPUXDN-KGUUONHRSA-N 283.415 4.557 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1270145509 XXCHLANDDQGWSY-WMZOPIPTSA-N 297.442 4.982 30 10 CJEE C=CCC1(NC(=O)C[C@@H]2CCCCC2(C)C)CCCC1 1279400393 SEXABHXKUJALLV-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCCC(C)(C)NC(=O)C(CC(C)C)CC(C)C 1280397696 NZQAKALGUFJZAJ-UHFFFAOYSA-N 267.457 4.556 30 10 CJEE C=CCOc1ccc(CN[C@H](CCC)[C@H]2CC2(C)C)cc1 1308758742 WBRMAWSMAQEFAP-QZTJIDSGSA-N 287.447 4.556 30 10 CJEE C=C(C)CCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 1356413485 OUVKDYGYUSTBKF-MRXNPFEDSA-N 273.420 4.636 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 1357158153 WBCQWLDSYZJGTF-SFHVURJKSA-N 297.442 4.684 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 1435223380 TWZITLRZPLJNKL-IRXDYDNUSA-N 299.458 4.979 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC(C)(C)c2cc(Cl)ccc21 1438267123 YXMRELIDDBUJCD-UHFFFAOYSA-N 291.822 4.567 30 10 CJEE C=CC1CCN(Cc2ccc3oc4ccccc4c3c2)CC1 1461843725 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286.444 4.531 30 10 CJEE CCN[C@@H](C#C[Si](C)(C)C)c1ccccc1C(C)(C)C 2174243019 RTYKSPICZCEJLV-KRWDZBQOSA-N 287.523 4.516 30 10 CJEE CCCCCCCCO[C@@H]1CC[C@@H](C)[C@H](NCCC)C1 2175771442 HGIYQGBYWRGTDQ-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CC1=C[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)CCC1 2175783511 DKBPYDNFDOSXNG-VMWRSERWSA-N 275.436 4.594 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1CSc2ccccc21 2179679688 MSKXWTUEBVYDLP-DLBZAZTESA-N 289.488 4.991 30 10 CJEE N#CC1(C[C@H]2C[C@@H]3CCC[C@@H]3C2)Cc2ccccc2C1 2183316353 YXIPUNWPDBHPKQ-PHZGNYQRSA-N 265.400 4.512 30 10 CJEE CCCCCCCCCc1cc([C@@H](N)C2CCC2)on1 2186328922 CLZNJYHUQHJOBD-KRWDZBQOSA-N 278.440 4.768 30 10 CJEE CCc1ccc(C#N)c(NCC2CC(C(C)(C)C)C2)c1 2188841963 ZQGSCSMUYYRCAQ-UHFFFAOYSA-N 270.420 4.605 30 10 CJEE CCCC1(CN(C)c2cc(CC)ccc2C#N)CCC1 2189671821 IIZWPJMGGBWQTQ-UHFFFAOYSA-N 270.420 4.527 30 10 CJEE N#C[C@@]1(CC2CCC3(CC2)CC3)CCOC12CCCC2 2190317022 ABFIWUPQAIHUGS-KRWDZBQOSA-N 273.420 4.590 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)CC[C@H]1C1CC1 2191845332 XGNANMHYDWVCHI-FUHWJXTLSA-N 280.452 4.637 30 10 CJEE N#CC1(CN2CCC[C@H]2C2CCCCCC2)CCCC1 2192031223 HMVWXDIGERSZQB-KRWDZBQOSA-N 274.452 4.505 30 10 CJEE CCCCCCCCCCCC(=O)c1nnccc1C 2192695369 LAADLZBJHBBHLL-UHFFFAOYSA-N 276.424 4.889 30 10 CJEE CCCCCCCCCCNCC[C@@](C)(CC)C(=O)O 2193314133 PRNLIJWVWHTNSZ-QGZVFWFLSA-N 285.472 4.608 30 10 CJEE CCCCC[C@H](CC)N(C)Cc1ccc(C)c(C#N)c1 2193691990 VPJAIBWFFVGZFY-SFHVURJKSA-N 272.436 4.657 30 10 CJEE C[C@@H]1CC[C@@]2(CSC(=NCCC3CCCCCC3)N2)C1 2194680362 MURVQLKOXFHDFJ-PBHICJAKSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1COCC[C@@H]1CC 2195669357 GAEXOFVRBRHAAO-ZWKOTPCHSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCCN1C(=O)C(F)(F)CC[C@H]1C 2195687867 NJQORRJFEZYKCQ-CQSZACIVSA-N 289.410 4.773 30 10 CJEE CC[C@H]1CC[C@H](CN(CCC#N)CC2CCCC2)CC1 2196139270 CHZZFGKHZLWJST-SAABIXHNSA-N 276.468 4.609 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccc(C)cc1F 2196169417 DGEIWPLXKBHQDR-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C#CC[C@@H](C[C@@H](N)C1CCC(C(C)(C)C)CC1)C1CC1 2196820216 VMZANPCMXNROST-JYSRZZCRSA-N 275.480 4.606 30 10 CJEE C#CC[C@H](C[C@H](NC)C1(CC(C)C)CCCC1)C1CC1 2196836604 KXFPODQLGLBRCZ-MSOLQXFVSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1CC(CC2CC2)C1 2197148891 GHXCXFMTMYXOHD-NKELODKYSA-N 269.432 4.504 30 10 CJEE C#C[C@@H](c1ccccc1)N(CC(C)C)C1CCCCC1 2197168158 SKOMHCVHXTVOOX-IBGZPJMESA-N 269.432 4.652 30 10 CJEE CCCC(C=O)(CCC)CN(CC)[C@@H]1CCCC1(C)C 2199434879 IGBJYPBFNMTNJU-MRXNPFEDSA-N 281.484 4.673 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2200155069 IWOZOIZHZSGZMO-OTWHNJEPSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC(=O)CC[C@H]1CCC[C@H](N)C1 2205526090 ZLBSZXLNKCIGAW-SJORKVTESA-N 281.484 4.994 30 10 CJEE C=CCCCCCCC[C@@H](CN(CC)CC)NCCC 2206884326 GVJXOELTCPHINA-SFHVURJKSA-N 282.516 4.613 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc(C(C)C)ccc1N 2206890139 FIXFTOQNCHJUDY-GOSISDBHSA-N 275.436 4.952 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@@H]1CCCCCC1(F)F 2206893272 YTQBSOMHYMNUOV-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCOc1c(Cl)cccc1CNCC 2206893930 FNBZAXOESNJKLV-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H](O)C(C)(C)C(C)C 2206894083 GXOYFGFVPBKPAY-IAGOWNOFSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCC(=O)[C@H]1CCc2ccccc2C1 2206900725 WAAWJXUZEXLQBV-SFHVURJKSA-N 270.416 4.887 30 10 CJEE C=CCCCCCCCCCN(CCC)[C@@H]1CCOC1 2207382251 PZSYPDAUOXRDKG-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](CN)CC(C)C 2207439389 VCIOSNNAVZIJQW-MSOLQXFVSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCCC[C@H](O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2207447435 IMKVHDVGJVHBPT-NNPSNHGLSA-N 276.464 4.946 30 10 CJEE C=CCCCCCCCCCO[C@@]1(C(C)C)CCNC1 2207448577 MGUWCUFPPIKUGA-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCC[C@H](O)c1sc(C)c(C)c1C 2215530269 AOUBEPSWDZJIOP-AWEZNQCLSA-N 252.423 4.843 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1sccc1Cl 2217147615 LDLADXVLXQRDCH-BXUZGUMPSA-N 271.857 4.524 30 10 CJEE N#C[C@H](c1ccc(F)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 2218217305 PHMFLKVTHOHGSN-XRRVDJEJSA-N 263.743 4.522 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CC12CCC2 2220079024 BGKNCOPZUYPPCC-MRXNPFEDSA-N 250.382 4.548 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(F)C[C@@H]1C 2220083206 OHGUDUREKXRLAP-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)c1cnsc1 2223855387 XTPINSQCSWEGQS-UONOGXRCSA-N 268.470 4.933 30 10 CJEE C=CC[C@](C)(NCc1sc(C)c(C)c1C)C(F)(F)F 2228579626 AWQJHWPRYLTMOY-ZDUSSCGKSA-N 291.382 4.660 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2230589328 MSHNUKYKGCZQSR-LBPRGKRZSA-N 291.813 4.713 30 10 CJEE C=CC(C)(C)CCNC[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230655501 QUQUMAYZVCZORK-ZACQAIPSSA-N 263.469 4.785 30 10 CJEE C=CC[C@H](C)Oc1c(C)sc(CN[C@H](C)CC)c1C 2231435616 WVGAGNILFQJFKZ-NEPJUHHUSA-N 281.465 4.596 30 10 CJEE C=CC[C@H](CCC(C)(C)C(F)(F)F)CN[C@H](C)CC 2231579082 LLSHLDXIKOCRBP-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cccc(C)n1 2231925559 NQFHISJERSGTKO-OAHLLOKOSA-N 262.441 4.619 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC(C)(C)CO1 2231931147 UTHHBEBEBOZLGH-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@@H]2C(F)(F)F)CC1 2232579152 CCCUQPLOYXPFBH-AGIUHOORSA-N 288.353 4.917 30 10 CJEE CC1(C)C[C@@](C#N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCO1 2233714405 CBVWSVOXLASKSA-LHHMISFZSA-N 275.436 4.692 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1nccc(C)c1C#N 2234436874 FXZCYFMIYVJKIG-KRWDZBQOSA-N 274.408 4.636 30 10 CJEE C=CCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1NCC 2235524697 SLZUSNCBIFPHEY-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCC[C@@](C)(CCC)CNCCOC 2235526341 JXPLDUUEGLBNKM-GOSISDBHSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCCCC12CC2 2235531815 DINHGTUJIZPJCL-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCN(CCC)CC1 2235532588 LWJNPZIVEZHKDM-GOSISDBHSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cc(Cl)n(C)n1 2235534476 ZDLWOXMHPQGOKV-CQSZACIVSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccn(C2CCC2)n1 2235534780 JUKIUICTDHZITE-KRWDZBQOSA-N 276.424 4.558 30 10 CJEE C=CCCCCCCCn1ccc2cccc(CO)c21 2235537591 CSMNIRKBUOVSDC-UHFFFAOYSA-N 271.404 4.660 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](OCC)C1CC1 2235538854 LGBBPPZTTROTBH-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](O)c1cnn(C2CC2)c1C 2236648405 MYYXIHXGMPNVFX-KRWDZBQOSA-N 278.440 4.701 30 10 CJEE CCCCCCCCCCOc1cc([C@H](C)N)ccn1 2239494254 BLQOASMIEMBWCW-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCCO[C@H](C)[C@H](C)CNC1CC1 2239509004 ALEFBOAFJVHSFT-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCC[C@H](C)CC[C@H](O)C#Cc1ccc(CC)cc1 2239638711 QRRAVZMUFZZONF-LPHOPBHVSA-N 272.432 4.568 30 10 CJEE CCN[C@H](C#Cc1ccc(C)cc1)C(CC)(CC)CC 2239724699 JMMRIFZJSZRFJA-GOSISDBHSA-N 271.448 4.541 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(C)cc(C)c1C 2240108194 WMHWFEQMTZZCOY-AEFFLSMTSA-N 273.464 4.735 30 10 CJEE CCCCCCCC[C@H](C)Nc1c(OC)ccnc1C 2240639130 BLUKEOCNPCJQPY-AWEZNQCLSA-N 278.440 4.950 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)CC(C)C 2240641560 BYZQBMHXHFHOMY-SQNIBIBYSA-N 285.516 4.758 30 10 CJEE C=CCC[C@](C)(N)c1cc(Br)cc(C(C)C)c1 2247284855 OTOQMISVLUTPDI-HNNXBMFYSA-N 296.252 4.713 30 10 CJEE N#Cc1ccc(Cl)cc1SCC1=CCCCC1 2247558814 OYPQCJRYDOYINP-UHFFFAOYSA-N 263.793 4.804 30 10 CJEE C=CCCCCCCCSC[C@H](O)C(C)(C)C 2250035129 AOHYEHJEZLIJCW-AWEZNQCLSA-N 258.471 4.653 30 10 CJEE CC1CC2(C1)CC(SC[C@H](CS)C1CCC1)C2 2251132879 CJDDZADZFMVREB-MUJDFKBOSA-N 270.507 4.644 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc(Cl)sc1Cl 2251426592 KDMISTSTKLXBIV-NSHDSACASA-N 289.227 4.672 30 10 CJEE CC1CC(CS)(CSc2ccc3c(c2)CCC3)C1 2254144894 WKZDEAWCUMBZTN-UHFFFAOYSA-N 278.486 4.614 30 10 CJEE C=CCCCCCCCSc1c(N)cncc1Cl 2259046351 SGHTVTDPSYNNHE-UHFFFAOYSA-N 284.856 4.936 30 10 CJEE C=CCCCSc1ccccc1[C@@H](CC)NCC 2259046453 REURVVQWMKFQCZ-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE CC#CCC[C@H](C[C@@H]1CCCCC12CC2)NCCC 2264851385 HJHQLNWWYNNOIN-DLBZAZTESA-N 261.453 4.519 30 10 CJEE O=C[C@]1(CC[C@@H]2CCCC23CC3)CCCCC12CC2 2266730061 SLLLBDWOTPZWDZ-MAUKXSAKSA-N 260.421 4.886 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C1CCC(C)(C)CC1 2268789043 JYRCUQDNGDPWMP-MRXNPFEDSA-N 262.437 4.560 30 10 CJEE C=C(C)CCCCOc1ccc(CNCC)c(Cl)c1 2271790600 GFGFKYMBMCCSJX-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCC23CC3)CC(F)(F)C1 2273951391 SANBXLBVJCBFLM-CQSZACIVSA-N 285.403 4.629 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](N)(C#CC2CCCC2)CC1 2273991482 FAGRIHSEAOYYGS-WMZOPIPTSA-N 261.453 4.504 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)C(C)(C)C 2274792045 SJCQZCYDFPISFD-AWEZNQCLSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@H](CC1CCC1)OCCCN 2276222610 QLUULKPWHDGOKN-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCCCCCCCCC[C@H](CCC)OCCN 2276709639 DIJWZHDOEISUJL-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCc1ccc(NCc2ccsc2C#N)cc1 2277480579 XKOVDOAPGIJYLI-UHFFFAOYSA-N 270.401 4.574 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H]([C@H](C)CC)O1 2278126567 FCHHERSEPLIRAB-IXDOHACOSA-N 269.473 4.878 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1cccs1 2278174831 APPMVIXFNVAZMF-INIZCTEOSA-N 282.449 4.823 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](CC)NC(=O)[C@@H]1C 2278248040 QBCFDVKAVRWSMU-ZOBUZTSGSA-N 267.457 4.678 30 10 CJEE CC1CC(CS)(COC[C@H]2C[C@H]2C2CCCCCC2)C1 2280052878 YESFGHGASZDQEQ-MKFDVMFOSA-N 296.520 4.956 30 10 CJEE C[C@H](NC(C(C)(C)C)C(C)(C)C)c1ccc(C#N)cc1 2281571183 JFOCQXFXUDDORT-ZDUSSCGKSA-N 272.436 4.670 30 10 CJEE CCCN[C@@H]1CCCCC[C@@H]1CC=CC#CC(C)(C)C 2284114147 XHHWHBCBJBRDBU-QZTJIDSGSA-N 275.480 4.931 30 10 CJEE CC[C@H](CC(F)(F)F)[C@@H](CC=CC#CC(C)(C)C)NC 2284160720 WOMAJUKRSKXSNS-ZIAGYGMSSA-N 289.385 4.549 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1CCCC(C)(C)CC1 2284180801 OFHACXKDKHRCSQ-IRXDYDNUSA-N 275.480 4.916 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)C[C@@]1(C)COC 2284664678 GZSYOSPCGAOPKD-IRXDYDNUSA-N 284.440 4.645 30 10 CJEE N#C[C@@]1(CCCCCCCCCCO)CCCC12CC2 2286808844 HGUKWONWGLGHGX-GOSISDBHSA-N 277.452 4.964 30 10 CJEE C=C(C)CCCC[C@@H](COc1cccc(Cl)c1)NCC 2287413864 MAFCAEITBCXKJL-INIZCTEOSA-N 295.854 4.833 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc2c1OC(C)(C)C2 2287467356 VFVLXVCXIBKRBU-INIZCTEOSA-N 273.420 4.536 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2cnc(C(C)(F)F)s2)CC1 2289264752 NXUXUFRZGYDSFO-JTQLQIEISA-N 299.386 4.820 30 10 CJEE CC(C)Cc1ccccc1C(=O)CC#CC1CCCC1 2289839360 CDDLJXCKPNYLDH-UHFFFAOYSA-N 268.400 4.652 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2289840012 KVKBWTKCMAATMT-INDMIFKZSA-N 274.448 4.538 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1ccc(C(C)(C)C)s1 2289849961 PHBYQGNGWAEQSC-HNNXBMFYSA-N 289.488 4.890 30 10 CJEE CC1(C)CCC(C)(C)[C@](C#N)(Nc2ccccc2F)C1 2290237796 BKVDLJDLKSLPEF-KRWDZBQOSA-N 274.383 4.736 30 10 CJEE CC(C)(C)c1cccc(C2(C#N)CC(C3CCC3)C2)c1 2290285439 PDVBHKSXYZQNAU-UHFFFAOYSA-N 267.416 4.956 30 10 CJEE CCCCCCC[C@](C)(Cc1cccs1)OCC(=O)O 2290873025 NWPGRYZHCLPSLH-MRXNPFEDSA-N 298.448 4.511 30 10 CJEE C=C(C)CC[C@@]1(OCC(=O)O)CCC[C@H](CCC)CC1 2291443993 OVPUDIDSAQYJOE-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCC[C@H]1CC 2292786091 YKDGLNMTNNHLFY-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@](C)(OCCN)C1(C)CCCCC1 2292899001 OYIWBIQHLIRABA-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1cc(C)ns1 2293239829 GIOAUXGLHOWZHU-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CC[C@@H](C)C1 2293307336 VGERSGGXXAXAIJ-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1C1CCC1 2293373360 LDLYXUZHLFEOPF-KURKYZTESA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@H](C)CC[C@@H]1C 2293407063 FEJWRPKKFYAOQQ-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccccc1C 2294048568 RWUXOKXYZSLNJO-GOSISDBHSA-N 275.436 4.538 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCCCC12CC2 2294356664 POBVSSTYBJYMJV-GOSISDBHSA-N 281.484 4.805 30 10 CJEE C=C(C)C[C@@H](NCC)[C@@](C)(O)CCCCCCCCC 2295679985 VCKZQKFLVNKREG-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C(C)C)N(C)C 2295691552 NDKLWUNJLULXJK-ZWKOTPCHSA-N 284.532 4.691 30 10 CJEE CC(C)CC(CC(C)C)OCC[C@H](C)CCS 2298923930 KVWOCZVQBKNQHP-AWEZNQCLSA-N 260.487 4.810 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(Br)c(C)c1 2304046419 QFBFJDHOUCKPBE-OAHLLOKOSA-N 295.220 4.933 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Br)c(C)c1 2304060015 UDJFWNKLORTBOL-CABCVRRESA-N 296.252 4.750 30 10 CJEE CC(C)C[C@H](CS)COc1cccc(Cl)c1Cl 2308053557 MFFSBEXJSAJOPI-JTQLQIEISA-N 293.259 4.964 30 10 CJEE C=CC[C@H](C)S[C@@H](c1cccc(Cl)c1)[C@H](N)CC 2313641308 IOVGGLVURJJTQF-GLQYFDAESA-N 283.868 4.816 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1[C@@H](C)N 2313690484 XQRPWCVAMXOKTR-LLVKDONJSA-N 281.852 4.973 30 10 CJEE C=CC[C@H](C)Sc1c([C@@H](C)NC)ccc(Cl)c1F 2313704466 LECAQDGXJVZXPE-VHSXEESVSA-N 287.831 4.816 30 10 CJEE C=C([C@@H](NC)c1ccc(F)c(C)c1Cl)C(C)(C)C 2316582264 ANJCTNADFDWRPA-CQSZACIVSA-N 269.791 4.650 30 10 CJEE Cc1c(C(=O)[C@@H](CC#N)C(C)C)ccc(Cl)c1Cl 2318149146 SUTDPTGLXJRDPQ-JTQLQIEISA-N 284.186 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cscc1F 2321095323 HWFOGIGISMTISM-LSDHHAIUSA-N 269.429 4.920 30 10 CJEE C#C[C@H](C)[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327869510 TVXTWGBMDKYEPL-XHDPSFHLSA-N 284.230 4.612 30 10 CJEE CO[C@@H](CSC[C@H](CS)CC(C)C)C1CCCC1 2328539480 PXIYQYKKSHFLLF-ZFWWWQNUSA-N 290.538 4.517 30 10 CJEE Clc1ccc(CON=C(c2ccccc2)C2CC2)cc1 2330296186 RDFXILIQMLBFSV-UHFFFAOYSA-N 285.774 4.671 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@H](N)CC)cc1 2335192823 AJFLTGHTJPYQNJ-OAHLLOKOSA-N 275.461 4.579 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](CC)NCCC)nc1 2335239963 YMJOLWOZAXXFLJ-DZGCQCFKSA-N 278.465 4.589 30 10 CJEE CCCCCCCC[C@@H](O)c1snnc1C1CCC1 2335779466 INHIGHJLPXVZQE-CYBMUJFWSA-N 282.453 4.590 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccc(F)cc1 2337111120 IPHWQOSYNXEXSN-COXVUDFISA-N 261.384 4.611 30 10 CJEE CCN[C@H](C#CC1CCC1)c1cc(Cl)c(Cl)cc1C 2337536552 FWBJVQAEPLISII-MRXNPFEDSA-N 296.241 4.756 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CCC[C@@H](C)C1 2338727651 MRZKDWFYEHKOEZ-QAPCUYQASA-N 261.453 4.703 30 10 CJEE Cc1c(C[C@]2(C#N)C[C@@H](C)O[C@@H]2C)ccc(Cl)c1Cl 2338855328 ZRMSBAPMGAADSM-OSQNNJELSA-N 298.213 4.552 30 10 CJEE CCCCCCCCCCO[C@H](C)CCCCNC 2340356767 LYSUNWFRIZWJNC-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=C(C)C[C@@H](CCCCC(F)(F)C(F)(F)F)NCC 2342333978 QSQXYZYOODVTAJ-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1ccc(Cl)cc1C#N 2343115183 CITLKMRCRJCWJB-FZMZJTMJSA-N 276.811 4.696 30 10 CJEE C=CC[C@@H](CNCCC)Cc1cccc(C(C)C)c1 2343792157 CYNVANDYVOWHIA-QGZVFWFLSA-N 259.437 4.544 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CCCCCOC(C)(C)C 2344369281 NZYMUJJJZCIVEZ-RDJZCZTQSA-N 269.473 4.682 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(C)cc(C)cc1F 2344378830 MPXSXMNYOBMYJN-MRXNPFEDSA-N 263.400 4.695 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSc1cccc([N+](=O)[O-])c1 2352075888 CQTYOJXMKWHCCL-AWEZNQCLSA-N 299.461 4.669 30 10 CJEE CCCCC1CC(N(C)C[C@](C)(CS)C(C)(C)C)C1 2352177659 AIQPXLFNAGBLAN-VMBOVVBDSA-N 285.541 4.869 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1C[C@@H](C(F)(F)F)C1 2352763419 PHBYFZZBZIPSAM-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE Cc1cc(Cl)c([C@H](O)CC#CC2CCCC2)c(Cl)c1 2353080594 MXGYZPWHZAUSCE-OAHLLOKOSA-N 297.225 4.919 30 10 CJEE C[C@@H](CCS)CCOCc1cccc(C(F)(F)F)c1 2353255762 RUTJERQYFPTNKN-LLVKDONJSA-N 292.366 4.568 30 10 CJEE C=CCC[C@H](C)[C@@H](N)C1CCC(CC(F)(F)F)CC1 2353643441 RMEMQZFPYMUHHU-GFJIZPEISA-N 277.374 4.675 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@H](CS)CC(C)C 2353836580 SQMDFMIIKBGEID-QGZVFWFLSA-N 287.557 4.973 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358459398 MDCUXCBZBCIUJY-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(C)c(OC)c(Cl)c2)CC1 2360213801 ZFBFZTCYYRHXDU-MRXNPFEDSA-N 293.838 4.793 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc([C@@H](C)NC)cc1F 2360375428 OTFKCHDVSLORTQ-LLVKDONJSA-N 297.414 4.858 30 10 CJEE Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5519160 FDOLQVJBJCYEAF-HMMYKYKNSA-N 288.350 4.564 30 10 CJEE CN(c1ccccc1)c1ccc(/C=N\c2ccc(O)cc2)o1 39126908 VXPGAZRZSBZFDQ-UYRXBGFRSA-N 292.338 4.504 30 10 CJEE CCc1ccc(OCCCC(C#N)(CC)CC)cc1 57714501 BCXJALHJIAUAFE-UHFFFAOYSA-N 259.393 4.738 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(CC)cc1 59095436 FFCJWUGSCMTKGM-UHFFFAOYSA-N 274.404 4.751 30 10 CJEE CC[C@H]1CCCC[C@]1(C#N)Nc1ccc(Cl)cc1 71162348 OAQYIELMWICPPH-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE CCc1oc(-c2ccc(Cl)cc2Cl)cc1CC#N 77076532 HUDKJVGGXFOQCH-UHFFFAOYSA-N 280.154 4.882 30 10 CJEE COc1c(C)cc(C)cc1-c1cc(CC#N)c(C(C)C)o1 77079869 XMBKAIDQUKNCLF-UHFFFAOYSA-N 283.371 4.762 30 10 CJEE CC(C)c1nc(Cc2ccc(Cl)cc2)sc1CS 82429600 ANBSZHCKZFLUEH-UHFFFAOYSA-N 297.876 4.941 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(Nc2cccc(F)c2)CC1 86949165 XLDCMGYARQLXGM-PBHICJAKSA-N 274.383 4.880 30 10 CJEE SCC1(COc2ccc(-c3ccccc3)cc2)CCC1 94582740 KXGRNYPBIHJTPK-UHFFFAOYSA-N 284.424 4.833 30 10 CJEE CC(C)(C)[C@H](CS)COc1cccc(Cl)c1Cl 94584098 FTZRYMXHJAOXSB-VIFPVBQESA-N 293.259 4.964 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 97283168 ANXUQWTWUVGCKD-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(Cl)c1 103942030 IYCIAHOTJCLFGH-HNNXBMFYSA-N 253.817 4.961 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C(C)C)CC[C@@H]1N 103988477 JCHQGCSCCDUADM-IKGGRYGDSA-N 269.473 4.516 30 10 CJEE CCN(CC)c1ccc(/C=C2/CC/C(=C\C(C)C)C2=O)cc1 104377242 BAZGCITVYTXSFO-XINBEAJESA-N 297.442 4.862 30 10 CJEE CCCCCCCCCCCCNCCCC(=O)OCC 105927856 QNIDRLXDAPXCRK-UHFFFAOYSA-N 299.499 4.840 30 10 CJEE CCCCCCCOCc1csc(CNC(C)(C)C)n1 107344950 QJVMLPQTBAHDOP-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE CCCCCCCCCCN[C@@]1(CO)CCC[C@@H](C)C1 110169142 OKIYAQQKRVQHPK-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCC[C@@H](N)c1nccc2ccccc12 113828762 YAUXUPBPFKJLHL-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]1O2 114189781 RDNQJJVPRMAKKH-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ccn(C)n1 115938410 SXWSBLXANRWLBP-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)c1ccccn1 117685418 PZUCOJJMHZKAQC-HNNXBMFYSA-N 261.409 4.895 30 10 CJEE CCCCCCC[C@H](NC)C1(N(CC)CC)CCCC1 118175954 BXLYLDSWGOSEIW-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C)c(Cl)c1 125787612 DYFOOJKUWLYJPP-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(Cl)nc1 129875366 PLFHQXYVQGMRRD-HNNXBMFYSA-N 297.874 4.770 30 10 CJEE C=C(CNc1ccc(C)c(Cl)c1)c1ccccc1 134355530 RGGCDYFZNZYKGV-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE CCCCCCCCCCC(=O)c1ccncc1F 135813580 LUBNUCQIYMDOES-UHFFFAOYSA-N 265.372 4.934 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 156189828 SIZZYSKIRXTOPB-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE C=CCCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)C 156298873 JKRYGOGIPPRANJ-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C=C[C@H](C)N[C@@H](c1ccccc1)c1cc(C)ccc1C 159759296 GYAJSEXQKVZFLC-LPHOPBHVSA-N 265.400 4.557 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccc(F)cc1F 162030837 IQZXZVJWCFCGHE-OAHLLOKOSA-N 291.341 4.502 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 162620039 LGXVUXRVQXAZCM-DTWKUNHWSA-N 276.182 4.748 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1nccn1CC 166147525 JVURBLFPCXVDNM-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE CCCCCCC[C@@H](O)c1ccccc1SC 168212926 SCBRLIJFFBQURL-CQSZACIVSA-N 252.423 4.802 30 10 CJEE CCCCCCCCCCCCCCOCC(=O)OC 197407950 IUPATKAJIBJAHH-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE C[C@@H](N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccccc1 219547432 LQJCMFQDAVPBSL-BEFAXECRSA-N 292.426 4.900 30 10 CJEE N#CCC(CC#N)c1cc(Cl)cc(Cl)c1Cl 219818405 IJSXMASKROKJBI-UHFFFAOYSA-N 273.550 4.558 30 10 CJEE CCCCCCCCCC(=O)C[C@H](C)[C@@H]1CCCNC1 226721392 JFNBGFQMPMLZRN-DLBZAZTESA-N 281.484 4.722 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCOC2(CCC2)C1 229829423 SLOJSJQMGSVPSF-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 230767389 PYLAFAHEKKJNFW-KBPBESRZSA-N 274.383 4.714 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 230774090 AYGNDNWKJYRBKE-XJKSGUPXSA-N 274.383 4.714 30 10 CJEE CC(C)(C#N)CCCCn1ccc2cc(F)ccc21 232528048 ZTXQHTOJFYBWSX-UHFFFAOYSA-N 258.340 4.500 30 10 CJEE CCCCCCCCC[C@@H](C#N)NC1CCCC1 232995544 XNNWTJWXTJALKJ-INIZCTEOSA-N 250.430 4.551 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(F)c1Cl 234441489 RYOLQUXHBQQHIZ-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE C=CCCCCCN[C@H](C)c1ccc(Cl)s1 235204926 RCQUCSFJYCOKAB-LLVKDONJSA-N 257.830 4.799 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(C)c1Br 235806472 YTCIVFPFHDORMI-AWEZNQCLSA-N 297.236 4.927 30 10 CJEE Cc1ccc(Cn2ccc3c(C#N)cccc32)c(Cl)c1 235979905 YRGJFTYXSSWHAD-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE O=C(Cc1cc(Cl)ccc1Cl)C1=CCCCC1 236052415 IKQOYPQIXGXKQM-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE N#Cc1ccc(NCc2cccc(F)c2Cl)c(Cl)c1 236193672 LXEINJCXSDJHQT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)(C)C 250527281 QFFKEUPGLQLNPP-IKGGRYGDSA-N 277.496 4.867 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 252896270 BFZPAKQONYSULH-WOYTXXSLSA-N 270.457 4.548 30 10 CJEE CSc1ccc(Br)cc1[C@@H](CC#N)C1CC1 260286535 BFQLOQAZROVOOG-NSHDSACASA-N 296.233 4.578 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(C)C 276437894 QUINWPMPINQCSK-UHFFFAOYSA-N 288.435 4.658 30 10 CJEE C=CCCCCC[C@H](NC)[C@]1(OCC)CCC[C@H](C)C1 300278048 IFLJVQZUHOQKFJ-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)cc(C#N)c1 308196250 MSYCOAOQNDMFFX-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2cc(Cl)c([N+](=O)[O-])cc2C)C1 312429352 LRCOQMBGCJJJAT-IAQYHMDHSA-N 292.766 4.528 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(F)ccc2Cl)C1 316900524 UBBFXQAMBXIHTL-LRDDRELGSA-N 282.786 4.807 30 10 CJEE CCCCCCCCCOc1cccc(CO)c1Cl 328467793 MCNNUMJYHJFLRM-UHFFFAOYSA-N 284.827 4.962 30 10 CJEE COc1ccc(CCC2(C#N)CCCCCCC2)cc1 383284110 SSUOQCHXNUMARG-UHFFFAOYSA-N 271.404 4.882 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCC[C@H]1C 385003570 MHXGXRYXIKHAAJ-XUJVJEKNSA-N 292.220 4.883 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C1(O)CCC(C(C)(C)C)CC1 385102843 BEMWJUGQRXJJRY-JWFMREHNSA-N 277.452 4.674 30 10 CJEE C1CCC([C@H]2CS/C(=N/CCCC3CCCC3)N2)CC1 386108100 JTHATWUYBQUZKS-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C=CC[C@@H](CCC1CCCCC1)CNC(C)(C)C 387174538 NMFYRLJJFPCQDP-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@H]1CCCOC1 389007409 RRSZCMWPCIYPQJ-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H]1CC[C@@](C)(CNC(C)(C)C)O1 389087379 FUZJGVYHBWLUQP-WBVHZDCISA-N 269.473 4.673 30 10 CJEE C[C@H](/N=C1/N[C@@H](C(C)(C)C)CS1)c1cccc(Cl)c1 394008747 VNEUNRUUNWKZHI-GXFFZTMASA-N 296.867 4.508 30 10 CJEE CO[C@](C)(CC1(C#N)CCC(C)CC1)c1ccccc1 395161427 NMIRLCIHUPEGQK-IIIMJFFVSA-N 271.404 4.658 30 10 CJEE CCCCCCCCC[C@@H](N)COCc1ccccc1 395635672 VKCKQRDDLFPVSF-GOSISDBHSA-N 277.452 4.671 30 10 CJEE C=C(COCC)[C@@H](NCC)C1CCC(CCCC)CC1 395644146 MNIGNWGTZWUHNS-DAWZGUTISA-N 281.484 4.554 30 10 CJEE CCc1ccc(NC[C@H](C#N)C2CCCCC2)cc1C 397233933 WWYDTYYLAZYJBL-KRWDZBQOSA-N 270.420 4.689 30 10 CJEE CCCCCCCCC[C@@H](O)CC(F)(F)C(F)F 400662827 WZXPZLGNTZWMOE-LLVKDONJSA-N 272.326 4.779 30 10 CJEE CC[C@H]1CCCCC/C1=C\B1OC(C)(C)C(C)(C)O1 575598223 XQASTRYJUKDLMP-REQDGWNSSA-N 264.218 4.535 30 10 CJEE CC1(C)CCC[C@@H](/N=C2/NC3(CCCC3)CCS2)CC1 687320733 PFWAOXSLWLFQMD-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C#CCCC[C@H](NCC)C1CC(C)(C)CC(C)(C)C1 688318516 AVPPXSSSEUZIAZ-INIZCTEOSA-N 263.469 4.621 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(F)cc1C(F)(F)F 690204408 KKARJSADEGISRR-SECBINFHSA-N 261.262 4.611 30 10 CJEE CCCCC1CCC(C[C@H](C#N)C(C)C)(C(=O)O)CC1 691664420 HCULIKQRGCRXEJ-ISXOHVOVSA-N 279.424 4.624 30 10 CJEE CCCCCCCCCC[C@H](CNC)C1CCOCC1 696831325 LWFXZLBISKPBIG-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCN(Cc1ccc(C)cc1)CC1(CS)CCCCC1 699571921 CDVFZMFPXOTGEV-UHFFFAOYSA-N 291.504 4.697 30 10 CJEE CCCCCCCCOc1c(C=O)ccc(F)c1F 700669781 MRGPBYKMZMADLF-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE CCC(=CC(=O)c1cccc(C(F)F)c1F)CC 701243892 QDJYABOXGOTIKR-UHFFFAOYSA-N 256.267 4.692 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 702173897 YVEBETMICHIISM-ZUZCIYMTSA-N 296.197 4.606 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(C)c(Cl)c1 703996220 QPMUYQCTZNBQKN-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1cccc(Br)c1 704908608 CGQKGHUPUIGHDL-UGFHNGPFSA-N 292.220 4.883 30 10 CJEE Cc1ccc2nc(Nc3ccc(Cl)c(C#N)c3)sc2c1 709698411 GQVROJOOHCURCC-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NCC 712938167 ATWMBHJECPUQSP-BRWVUGGUSA-N 251.458 4.761 30 10 CJEE CC1(C)CC[C@@H](/N=C2/NC3(CCCCCCC3)CS2)C1 713202361 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30 10 CJEE C=CC[C@H](C(=O)NCC(CC)(CC)CC)c1ccccc1 1533651712 YDJRRPUNJUAKAI-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C#C[C@@H](NC(=O)[C@H](C)CCCCCCCC)C(C)(C)C 1535510414 QJSWXRKZGCOSLM-HZPDHXFCSA-N 279.468 4.537 30 10 CJEE C=C(C)c1cccc(NC(=O)C(CC)(CC)CC)c1 1539121642 LGXKHUWVPWKABB-UHFFFAOYSA-N 259.393 4.875 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccccc1C(C)(C)C 1543938471 ZKZKARLCPCYGEU-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C(CC)(CC)c1ccccc1 1583437094 MYGVBZUYLIKROW-MRXNPFEDSA-N 287.447 4.605 30 10 CJEE Cc1ccc(C)c(C#Cc2ccc(C(F)(F)F)cc2)c1 1614730663 HBSMHGFUBWOLQU-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC)CC1CCCC1 1617465391 GMDFTVHVTDHLBC-KURKYZTESA-N 291.479 4.844 30 10 CJEE CCCCCCCCCCN1CCC[C@H](OC)CC1 1620417375 SCGKOJHIJKVZTC-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCC[C@H](C(C)C)CC1 1621271587 CQTJRLCEDQMESC-ULQDDVLXSA-N 251.458 4.926 30 10 CJEE C=CCCCCC[C@H](C)NCC1([C@@H]2CCCCO2)CCC1 1621462201 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297.229 4.726 30 10 CJEE Cc1ccc(Cl)c(/N=C(\N)C2CCCCC2)c1Cl 62988435 VCWKAQAZKAKLPW-UHFFFAOYSA-N 285.218 4.871 30 10 CJEE CCCCCCn1c(CC#N)nc2cc(C(C)C)ccc21 74297213 SZQXTBPVYXAHNA-UHFFFAOYSA-N 283.419 4.806 30 10 CJEE CCc1oc(-c2cc(Cl)cc(Cl)c2OC)cc1C#N 77077791 UVDOOJBZXIPTDJ-UHFFFAOYSA-N 296.153 4.696 30 10 CJEE CSc1ccc(-c2cc(C#N)c(C(C)C)o2)cc1 77080047 JKNQZZWMMQHAHH-UHFFFAOYSA-N 257.358 4.664 30 10 CJEE CCCc1oc(-c2ccc(OCC(C)C)cc2)cc1C#N 77081579 XJFOGVAIVNSRHQ-UHFFFAOYSA-N 283.371 4.806 30 10 CJEE CC(C)(C)[C@H]1CCCN(c2cccc(Cl)c2C#N)CC1 79343780 DQXZJPLXLFMRCP-ZDUSSCGKSA-N 290.838 4.864 30 10 CJEE Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1CS 82421358 KXFSUNGOZNUJDQ-UHFFFAOYSA-N 290.240 4.855 30 10 CJEE N#CCC1(COc2ccc(Oc3ccccc3)cc2)CC1 88259780 SBXPXSZXTHAITQ-UHFFFAOYSA-N 279.339 4.552 30 10 CJEE CCCC1CCC(C#N)(Cc2ccncc2Cl)CC1 88792716 FXQAJWVPYORFSH-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C2(O)CCC(C(C)C)CC2)C1 91878727 STCCBTQDQAOCAX-RZZCCWGQSA-N 277.452 4.674 30 10 CJEE 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Cc1cc(C)c([C@H](C#N)Nc2ccc(Cl)cc2)s1 719456081 DKBWQKCFTBPNFF-ZDUSSCGKSA-N 276.792 4.695 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724232813 ABODQLNIGYJBJI-MLHJIOFPSA-N 281.484 4.695 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 724557469 FCCUVGXZDGOPQN-TVFCKZIOSA-N 261.453 4.537 30 10 CJEE C1CCCC(/N=C2/N[C@H](C3CCCC3)CCS2)CCC1 725080069 GXEUDLCHODUKRV-INIZCTEOSA-N 294.508 4.741 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CCC)cc2)CCCC1 1124076142 UUTFAZZEQDFEHL-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CCCC1CCCCC1 1124812808 RSVOPNNXWWRJNF-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2ccccc2SC)CC1 1128946693 XBYDAFRSOROQAG-ZDUSSCGKSA-N 290.428 4.759 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(F)c1F 1129416253 HPXYYLWLCQALRH-UHFFFAOYSA-N 295.373 4.611 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)CC1 1156353156 QETCETAVKRTXIX-QFBILLFUSA-N 297.442 4.528 30 10 CJEE C=C(C)CN(CCCc1ccsc1)Cc1ccccc1 1169952911 MNDVRKMCAZAFRN-UHFFFAOYSA-N 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4.641 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)C(C)(C)C 2142439839 CYRFVVPVKVJSDT-MRXNPFEDSA-N 268.441 4.659 30 10 CJEE C=CCCCCCCCCCO[C@H](C)C(C)(C)CN 2142440693 SYGFLHDBYPWZPI-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCC[C@H]2C[C@H]21 2142445211 COMJJHPGQJNQDO-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCCNCCc1ccc(C)o1 2142445353 DVKYEEIMUQXFHO-UHFFFAOYSA-N 263.425 4.637 30 10 CJEE C=CCCCCCCCC[C@H](CS[C@H](C)CC)NN 2142449856 FGPNJMURIIBDGB-HZPDHXFCSA-N 286.529 4.657 30 10 CJEE CCCCCCCOc1cc(C)ccc1CNCCC 2143547101 IGSNWZSDVPWESO-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE CCCCCCCCC[C@H](CC1(C)CCOCC1)NC 2143858459 YQTAURIUOOQNKE-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCNCc1nccc(C)c1C 2145142311 HCSBWLCJDOZQPM-UHFFFAOYSA-N 276.468 4.929 30 10 CJEE CCCCCCCC[C@H](N)c1cccc2c1O[C@@H](C)C2 2146615842 KPSQYIDGMDKFQJ-YOEHRIQHSA-N 275.436 4.760 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CC1CC(C)(C)C1 2147020779 MJMJJLWPNCJJFV-INIZCTEOSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](O)c1ccccc1Cl 2148590322 UOQWBBRCYZUDKE-IAGOWNOFSA-N 297.870 4.712 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)C(C)(C)C(C)C)cc1 2149637275 BOVYEADQHHNFEY-INIZCTEOSA-N 271.404 4.668 30 10 CJEE CC1(C)[C@H]2C[C@@H]([C@@](C)(C#N)Nc3ccccc3Cl)C[C@H]21 2149748876 ROPYYFMLSXYSSK-IPJQOSJUSA-N 288.822 4.716 30 10 CJEE CC1(CN=C2N[C@@]3(CCCC3(C)C)CS2)CCCCC1 2150545186 KMUZWLYLADXPGO-KRWDZBQOSA-N 294.508 4.598 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@@]2(CCCC2(C)C)CS1 2150553404 BCPONEBVNZCQRK-PBHICJAKSA-N 296.524 4.987 30 10 CJEE CSc1ccccc1[C@H](C)Nc1c(C)cccc1C#N 2152747339 WCJIGAJVIMCUBF-ZDUSSCGKSA-N 282.412 4.762 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc3c(c2)CCCC3)C1 2152832987 OHZMTGSLFWMINM-BEFAXECRSA-N 270.416 4.503 30 10 CJEE Cc1cc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)ccc1C#N 2154171283 ITSSPEOHNYNPKA-KBAYOESNSA-N 268.404 4.638 30 10 CJEE CC(C)C[C@H](C)[C@@](C)(O)[C@@]1(C#N)CCCC(C)(C)CC1 2157093765 YQLCSBPTOSUOTP-JQHSSLGASA-N 279.468 4.920 30 10 CJEE CCSc1cccc(N(C)CC2(C)CCCC2)c1C#N 2157591618 UJZOSUOKNGJMCQ-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE C=CCC[C@@H](C)[C@H](COC1(C)CCCCC1)NCCC 2158324957 TYEPCAVJAFUJIH-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)C(CC)(CC)c1ccccc1 2158326921 GINNRFPLNVXPIQ-FUHWJXTLSA-N 273.464 4.935 30 10 CJEE C=CCCOCC[C@@]1(CNCC)CCCC(C)(C)CC1 2163892262 DGSBNLGDJVIMGC-GOSISDBHSA-N 281.484 4.555 30 10 CJEE COc1ccc2ccccc2c1C(=O)C1=CCCCC1 2163979673 QIPZYNNHHCSJGP-UHFFFAOYSA-N 266.340 4.532 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(OC(C)C)cc1 2164264699 QSPGKNMVIPRRSD-SFHVURJKSA-N 275.436 4.871 30 10 CJEE CCCCCCCCCCC(=O)c1cnnn1C(C)C 2164486627 HDHDYJGHAXDORV-UHFFFAOYSA-N 279.428 4.573 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1ncccc1C 2164491721 IUDJUQOOPLJVHY-KRWDZBQOSA-N 277.452 4.824 30 10 CJEE N#C[C@@]1(Nc2ccccc2)CCCCC12CCCCC2 2166339682 ZZSLLHYPYIJLAY-SFHVURJKSA-N 268.404 4.885 30 10 CJEE O=C[C@]1(C[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC12CCC2 2166773983 ILIFVOXOFYHOSP-GZBFAFLISA-N 288.353 4.895 30 10 CJEE N#C[C@]1(c2ccc(C(F)(F)F)cc2F)CCC12CCC2 2166794519 AKPVJAUPTKPJEW-AWEZNQCLSA-N 283.268 4.570 30 10 CJEE C#CC(C)(C)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 2167603380 ITVCJJDDCJJHSS-BZSNNMDCSA-N 277.496 4.868 30 10 CJEE C=CC1(C[C@H](NC)c2cccc3c2CCCC3)CCC1 2168016375 FQIBKQWBSMWVBW-SFHVURJKSA-N 269.432 4.572 30 10 CJEE C=CC1(C[C@H](NCCC)C2C[C@H]3CC[C@H](C2)C3)CCC1 2168029830 ZUEPNMSMCLFRPL-BQFCYCMXSA-N 275.480 4.927 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)[C@H]2CCC[C@H](C)C2)CC1 2168635624 XNBOHGZNNYOJDL-YJNFJTPFSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CCCCCCCC1=O 2168781196 QNOGOZJTJMARRJ-KRWDZBQOSA-N 282.424 4.731 30 10 CJEE CCCCCCCCCNCC(CC)(CC)CC(=O)O 2170515349 OWEMTESJJIOUOD-UHFFFAOYSA-N 285.472 4.608 30 10 CJEE CCCC(C=O)(CCC)CN1CCC[C@H]1c1cccs1 2172247780 DYEOSMJBAPWWEW-HNNXBMFYSA-N 293.476 4.671 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H](CC)c1ccccc1 2173465479 DXZADIQHDKCUNZ-MOPGFXCFSA-N 271.448 4.742 30 10 CJEE Cc1cnc(CC[C@@]2(C#N)CCCCC2(C)C)c(C)c1 2173638298 FMYALXXAKIIANB-GOSISDBHSA-N 270.420 4.741 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CCCOC1CCCCC1 2173658814 KWCGANFLVQSCKG-GOSISDBHSA-N 280.452 4.901 30 10 CJEE C#CC1(Oc2cccc(Cl)c2C(C)=O)CCCCCC1 2176137839 GLPZILAFOTYVKF-UHFFFAOYSA-N 290.790 4.648 30 10 CJEE CC(C)=CCCCOc1ccc(C(F)(F)F)cc1C#N 2177798305 QNHQLISMHJYTCS-UHFFFAOYSA-N 283.293 4.702 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H](O)c1cc(C)sc1C 2179676139 DBHSPLQXJNPZOM-DLBZAZTESA-N 295.492 4.513 30 10 CJEE C=CCCCC[C@@H](NCC)c1cccc2cccnc12 2179679569 HJCHZTVBTKWOMZ-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CC[C@]1(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)CCCCO1 2181672622 ZGBAQDMMZKQLFL-CRAIPNDOSA-N 278.436 4.677 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2ccc(C3CC3)cc2)C1 2182159893 IWOZQISJURDPRM-LJQANCHMSA-N 269.432 4.961 30 10 CJEE C=C1CC(C[C@H](NCC)[C@@H](c2ccccc2)C(C)C)C1 2182168706 VBWPAACJNYPRAI-RBUKOAKNSA-N 271.448 4.761 30 10 CJEE C=C1CC(C[C@H](NC)c2ccc(C)c(C(F)(F)F)c2)C1 2182169471 POERAFZTSDEBDM-HNNXBMFYSA-N 283.337 4.631 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@H]1CCCCCC12CC2 2182474198 KCWDOIDGLOUNEX-INIZCTEOSA-N 288.822 4.761 30 10 CJEE C[C@H](c1ccccc1)N(C)c1cc(Cl)c(F)cc1C#N 2184421658 XQBAXCSWXZUGQT-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](O)(CC)CCC(C)C 2185915978 XRYYVGNSUIOKMS-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CC[C@@H](CCC(C)C)N(C)c1cccc(SC)c1C#N 2186004486 BYLWRUHIVLSQOR-AWEZNQCLSA-N 290.476 4.931 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC[C@@H]1OC)NCC 2186902569 IFORSBAPVFYCHB-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@H]2CCC2(C)C)c1C#N 2188605517 SSVIDGGWXKTNHP-GXTWGEPZSA-N 288.460 4.907 30 10 CJEE CCc1ccc(C#N)c(N[C@@H](C)c2ccc(Cl)cc2)c1 2188841518 QGVVYGGFHIRVJQ-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CC2(CCCCC2)O1 2189613316 BOQUNJPOFAXFJI-NVXWUHKLSA-N 278.436 4.654 30 10 CJEE CCCCCCCCOc1c(F)cc(C(C)=O)cc1F 2194666936 BXXHPAMXDBTNDR-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE C=C(CN(C)C1C[C@H]2CCC[C@H](C1)C2)c1ccccc1 2195513714 KZJGGDDKTXDANI-IRXDYDNUSA-N 269.432 4.600 30 10 CJEE C=C(C)CN(CC)C1c2ccccc2-c2ccccc21 2195907868 WMVUVXLNGNRFBV-UHFFFAOYSA-N 263.384 4.654 30 10 CJEE CCCCCCCN(C)[C@@H](CN)C1CCCCCCC1 2196734939 QKWNQSWVDJQSAF-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CN(CC#CC(C)(C)C)C[C@H]1C[C@H]1C1CCCCCC1 2200236464 XCZFURFBYRMSOU-MSOLQXFVSA-N 275.480 4.574 30 10 CJEE CN(C[C@H](CS)C(C)(C)C)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2201145473 YQCLABJDTKVNSD-YLFCFFPRSA-N 297.552 4.869 30 10 CJEE C[C@@H]1C[C@@](C#N)(CC2CC(C)(C)CC(C)(C)C2)CCO1 2203201989 FGQYRIZBAGPQSO-RDTXWAMCSA-N 277.452 4.938 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccc(C)c(C)c1 2203785748 AVDDKMQLDKSWGY-IBGZPJMESA-N 271.448 4.928 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H](CC)CC(F)(F)F 2203810962 SEKLXJKOYJWUEU-LSDHHAIUSA-N 291.401 4.917 30 10 CJEE CCCCCC#CC[C@@]1(CNC2CC2)CCCC[C@@H]1C 2203828456 QHRYWCUSGGZGGE-HKUYNNGSSA-N 275.480 4.909 30 10 CJEE C=CCCCCCC[C@@H](CC1(COC)CC1)NCCC 2206893597 BKFSXNBRFLPWNE-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCOc1cc(C)ccc1[C@H](C)NC 2206895956 YWNAWNHUMZXDQQ-INIZCTEOSA-N 275.436 4.791 30 10 CJEE C=CCCCCCC[C@H](Cc1csc(C)n1)NCCC 2206898915 JOTIQDUMCQPQKY-MRXNPFEDSA-N 294.508 4.889 30 10 CJEE C=CCCCCCC[C@](C)(N)c1cc(F)c(F)c(F)c1 2206901323 BDQGOKWRRKVMLR-INIZCTEOSA-N 285.353 4.804 30 10 CJEE C=CCCCCCCCCC[S@](=N)(=O)c1cccnc1 2207378644 UPXGTBMAHDAHQU-FQEVSTJZSA-N 294.464 4.794 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1CCCOC1(C)C 2207390859 JTGJJMDUGNPEJG-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@]1(O)C[C@@]2(C)CCO[C@@H]12 2207402372 JRTDFBNDZPCKBK-KURKYZTESA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCC 2207402782 DXRQLNJOOBWOIB-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@](C)(O)[C@@H]1C[C@H]2CC[C@H]1O2 2207434300 CMBSYHFJEJQWGM-TVFCKZIOSA-N 280.452 4.612 30 10 CJEE C=CCCCCCCCCNc1cnn(C(F)(F)F)c1 2207435268 GTWVRSCYMUYOPJ-UHFFFAOYSA-N 289.345 4.688 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@]1(O)CCC(C)(C)C1 2207439670 BUMQPINZDHRZKD-AEFFLSMTSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCCC(F)F)NCC 2207444852 MVDCYBGWHPSXGS-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE CCCCCCCC[C@H]1C[C@H](O)c2cc(F)ccc2O1 2207448702 MVJRZIFLIFZPOV-HOCLYGCPSA-N 280.383 4.761 30 10 CJEE C=CCCCCCCCCN[C@H](C)c1ccc(C)nc1 2207448963 ODYLRUQQDDXXDR-QGZVFWFLSA-N 274.452 4.957 30 10 CJEE CCCCCCCC[C@@H](CN)N(CC(C)C)C1CCC1 2207469599 NSJWRBQXBFDTOX-SFHVURJKSA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@H]1CC12CC2)NN 2207812442 ULKLTOVHCNKSMC-IRXDYDNUSA-N 278.484 4.705 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CC[C@H]1C(F)(F)F 2209409867 DIPTVZLHRDNJTN-HZPDHXFCSA-N 297.364 4.653 30 10 CJEE Clc1cc(Cl)c(Cl)c(CCCC[C@H]2CO2)c1 2211159198 RROGFWQNJLMWRZ-JTQLQIEISA-N 279.594 4.758 30 10 CJEE CCC#C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2213349486 SUBXKBHDFWBMOK-NSHDSACASA-N 290.621 4.711 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@@H]21 2220081841 JABFNEUGSBIUHA-TWMKSMIVSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(C)(C)CCF 2220090088 VNRWECXAPKGJDO-OAHLLOKOSA-N 257.437 4.877 30 10 CJEE CCCCCCCCCO[C@@H]([C@@H](C)N)C(C)(C)C 2223213389 RPWIRXFLLZOKJH-CABCVRRESA-N 257.462 4.516 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(Cl)cc1C=O 2223241153 GXENBDYCQJMQMC-CQSZACIVSA-N 266.768 4.666 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(C2CCC2)cc1 2223686682 ATLNUHJEIRHKOB-INIZCTEOSA-N 263.812 4.747 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]1(C)CC1(F)F 2223851505 XWSFNLQGVWZROI-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@]12CC2(F)F 2223857697 QTWQZFMYNSTOMG-BFHYXJOUSA-N 259.384 4.513 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2CC[C@H]1C2 2227273573 HWNMURZTBAXKTE-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1cscc1C 2227281403 RNOZTSSTLVKROD-INIZCTEOSA-N 280.433 4.576 30 10 CJEE C=CCCCCCCCC(=O)COC1(C)CCCC1 2227283113 MPQNKWIYPPMVBX-UHFFFAOYSA-N 266.425 4.822 30 10 CJEE CCCCCCCCCO[C@@H](C)CNC(C)(C)CC 2231018627 VPRPPPQHGWCTHR-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCOC[C@H](O)C1(C)CC1 2231028890 VEUYAGFZEVXWAW-INIZCTEOSA-N 270.457 4.695 30 10 CJEE C=C[C@@H](CCCCC)OCCN[C@H](C)c1cccs1 2231037586 NLPOFFHVDWVFKQ-CABCVRRESA-N 281.465 4.550 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C1CC2(C1)CC(C)(C)C2 2231542820 LCAPJNPEPUCVRV-RHSMWYFYSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@](C)(N)c1csc(C2CC2)n1 2231897258 ALDPINYRSRIMQK-MRXNPFEDSA-N 280.481 4.945 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC1CC(OC)C1 2231905508 HHPHAUOUFLNYBR-OFLPRAFFSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](C)NCc1ccccc1O 2231945766 JMDCTMPXFPDFCB-HNNXBMFYSA-N 263.425 4.621 30 10 CJEE N#Cc1ccc(OC[C@H]2C[C@H]3CCC[C@H](C3)C2)c(Cl)c1 2233727941 LYVLDLSYDMIFMM-AGGWBTHJSA-N 289.806 4.807 30 10 CJEE CCCC#C[C@H](NCCC)c1cccc(C(F)(F)F)c1 2233796416 ASTKBSRPKZWLEI-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE C(CCN=C1N[C@@H](C2CCCC2)CCS1)CCC1CC1 2234189363 BJDNDLSCDDHEIQ-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C=CCCCCCCC[C@@H]1C[C@@H](COC)C[C@H]1NCC 2235524696 SLZUSNCBIFPHEY-KZNAEPCWSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCN=[S@](C)(=O)Cc1ccccc1 2235533418 BDUKGVDEBUNFAB-HXUWFJFHSA-N 293.476 4.811 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1cc(C)sc1C 2235536294 URPKWUSUVCMLAT-KRWDZBQOSA-N 294.460 4.884 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc2ccccc2cn1 2235993956 CPTLDUZXOCMBRC-RHSMWYFYSA-N 266.388 4.782 30 10 CJEE CCCCC[C@H](C)Oc1nc(C(C)(C)C)ccc1C#N 2236249314 LVVRMFQWSUNRMM-ZDUSSCGKSA-N 274.408 4.598 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ncccc2C(C)C)C1 2239321307 SGGYDYRUTOHRBX-YJBOKZPZSA-N 270.420 4.858 30 10 CJEE CCCCCCCCCOC[C@H](N)[C@@]12CCCC[C@@H]1C2 2239444430 AONQQLJTHHDDMR-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCOCc1cc(C)cnc1NC 2239490649 SREAUEAJYDWTAW-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE CCCCCCCCCCCOC[C@@H](C)CNC1CC1 2239492830 NFYOTYHROIIEKE-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)[C@H](C)C(C)(C)C 2239560128 YCSBFZKSWINFOZ-WMLDXEAASA-N 291.866 4.742 30 10 CJEE C=CCC[C@@H](NCC)c1ccc(Cl)cc1CC 2248381997 OZLALYSLORVGTA-OAHLLOKOSA-N 251.801 4.519 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(Br)cc1F 2248467576 JSBJWSRTMRHJFP-UHFFFAOYSA-N 295.195 4.736 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 2250017085 UJEAAMBLDZSKEF-RBSFLKMASA-N 251.439 4.794 30 10 CJEE C=CCCCSc1sccc1CN[C@H](C)CC 2250063998 YUJQIASKAOYDFI-GFCCVEGCSA-N 269.479 4.695 30 10 CJEE CCC[C@@H](CC)[C@@H](C#N)Nc1ccc(Br)cc1 2250366526 LUOJYPSSAZZOSE-BXUZGUMPSA-N 295.224 4.579 30 10 CJEE CCCCCCCCC1(O)CCP(=O)(CC)CC1 2256346439 XBZKPOZTDHBLSJ-UHFFFAOYSA-N 274.385 4.645 30 10 CJEE N#CC1(C[C@]23CCC[C@H]2CC3)CCC(F)(F)CC1 2260589363 XTIFPKRFTTVLNT-GXTWGEPZSA-N 253.336 4.676 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(OC)ccc2Cl)CC1 2268111938 OFSYVWLJSURUOO-MRXNPFEDSA-N 280.795 4.519 30 10 CJEE CO[C@@H](CSc1ccc(Cl)cc1C#N)CC(C)(C)C 2271629743 WORRTNLLUNWVNB-CYBMUJFWSA-N 297.851 4.755 30 10 CJEE CC1(CS[C@@H]2CCCC[C@H]2C#N)CC(C(F)(F)F)C1 2271718830 XVDGFQHYCBQKIN-GMKTYKIGSA-N 291.382 4.781 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1csc(CCC)n1 2271833824 VIROWFNEODWKMT-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE Cc1cc(C#N)ccc1CSC1CC2(CC(C)C2)C1 2273297303 YUGHADJYHLCBTB-UHFFFAOYSA-N 271.429 4.679 30 10 CJEE OC1(CC#CC2CCCC2)CCCCCCCCC1 2274166067 FXXSXNOFPMTWNF-UHFFFAOYSA-N 262.437 4.826 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cccc(C(C)(C)C)c1 2274508357 LKMGAEGQQMDCFJ-RDTXWAMCSA-N 255.405 4.857 30 10 CJEE CC(C)(C)c1cccc(Cc2nc(CCS)cs2)c1 2274510146 UJSLHJROWPYSMO-UHFFFAOYSA-N 291.485 4.504 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1(C)CCCC1 2276575251 KYXRIBALTMGRSF-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE C=CC1(CNCc2ccc(Cl)cc2OC)CCCCC1 2283146751 OZPKBGICRHVAPK-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(Cl)c2OC)CC1 2283157998 ZTQOYXYPEUFKPP-INIZCTEOSA-N 293.838 4.746 30 10 CJEE CC#CCCCC[C@H](NCC)c1c(F)cc(C)cc1F 2283513522 NTCPJOKFZURUTE-INIZCTEOSA-N 279.374 4.508 30 10 CJEE CCCc1ccc(C[C@]2(C=O)CCCC(F)(F)C2)cc1 2283543345 OHKXSLAXZXWNAV-MRXNPFEDSA-N 280.358 4.576 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1C=CCCC1 2284087319 CFPLHZRQPMSXFZ-ROUUACIJSA-N 273.464 4.707 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H]2COC3(CCC3)C2)CC1 2284787845 ZKLYNLQZPNNEDX-DOTOQJQBSA-N 278.436 4.511 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cc(C2CC2)ccc1F 2287308240 OLHICXLWDHPRDZ-UHFFFAOYSA-N 286.737 4.972 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@]12CCCC[C@@H]1CC2 2288981413 WDXIVJDRQUJPKE-QYZOEREBSA-N 269.432 4.648 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)CCC1(C)C 2291631027 UJXSCSBUIDYZON-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@H](CC(CC)CC)OCCC(=O)O 2291769770 XZFRNPBOHLTWAS-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE C=CCCC[C@]1(OCCC(=O)O)CCCC(C)(C)CC1 2291771354 MWTGWGUVFBZDQG-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCC#CC[C@H](CCCCCCCCC)OCCN 2292877582 WKMUUEGXGVRLQH-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1CC1(C)C)OCCN 2292942820 HSBFWBCGDLRUJH-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CC(C)(C)c1ccc(C=CC(=O)c2cccs2)cc1 2293188429 UHIPSWLJLJZTQU-UHFFFAOYSA-N 270.397 4.942 30 10 CJEE C=CC=CCC[C@](C)(CCCCCCCC)OCCN 2293507028 HVXVRHSJCWTSSJ-GOSISDBHSA-N 281.484 4.993 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCC[C@@H]1CC 2293878618 JTUFDBNMAVZILC-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C)CC[C@@](C)(OCCCN)C1CCC(C)(C)CC1 2294084700 WZYJOZRLNGQPJW-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1CCCC[C@H]1F 2294321638 XFMSHWBVQFXYOE-BBWFWOEESA-N 287.463 4.609 30 10 CJEE C=CC1(C[C@](C)(CCC(C)(C)C)OCCCN)CCC1 2294558180 ACRBKTXMTQUHKQ-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(N)C#Cc1ccccc1Cl 2295214179 KMJHIORQZJCJDR-FUHWJXTLSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)CC(C)(C)C 2295521797 GOSJKXAYFMDXJH-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)c1ccsc1 2295674923 WNCFWNCGRONJKR-RDJZCZTQSA-N 297.508 4.900 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(CCC)NCCC 2295763268 GWIKEYFUGNJFEX-IAGOWNOFSA-N 298.540 4.998 30 10 CJEE C=C[C@@H](C)C[C@H](O)c1ccc2oc3ccccc3c2c1 2295799690 OXXBDBAYVAHSOM-WBMJQRKESA-N 266.340 4.832 30 10 CJEE Cc1ccc(F)c(NC=CC(=O)c2ccc(C)c(C)c2)c1 2296876225 DCHRODBSOQVNFJ-UHFFFAOYSA-N 283.346 4.559 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(Br)cc1C 2301026126 PXNFYSQWNUPQFV-HNNXBMFYSA-N 295.220 4.559 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(OC)c(Cl)s1 2301969549 ZPPBBKKKNADYHX-JTQLQIEISA-N 273.829 4.546 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(F)cccc1Cl 2304085813 IUPRLJXSLMRHEC-CQSZACIVSA-N 254.732 4.654 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C)c(Cl)cc1C 2304087180 YUKCKYVDENKPPJ-UHFFFAOYSA-N 250.769 4.742 30 10 CJEE C=C(C)CC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2307613833 QFVFZIHLSZHVMD-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=C([C@H](O)c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2307627125 KEHBNZJNMJXITM-ZDUSSCGKSA-N 273.203 4.938 30 10 CJEE CC(C)CCC[C@@](C)(C#N)Nc1cccc(Cl)c1 2315890691 DLHIGGZOEGWFSC-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2317940466 JOUMTNBPCZSMLK-LLVKDONJSA-N 287.856 4.807 30 10 CJEE SCC1(CO[C@@H]2CCC3(CCCC3)C2)CCCC1 2320446173 XLHWBQDDVWYFID-CQSZACIVSA-N 268.466 4.606 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1CCC)NCC 2321097526 BTIYIEOXYPGTCI-YYIAUSFCSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CCC(C)(C)C1 2321108231 NSBVKTOGENNJNN-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=C[C@H](C)CCN(C)Cc1cc(F)c(Cl)cc1Cl 2325179349 PTCZASUUDMSGFP-JTQLQIEISA-N 290.209 4.777 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2329802553 VLQAVGFCGLINNR-QKGCVVFFSA-N 267.363 4.778 30 10 CJEE C=CCN(C(=O)C=Cc1ccc(C)cc1)C1CCC(C)CC1 2330824167 CFHGWZHXEDHQSI-UHFFFAOYSA-N 297.442 4.602 30 10 CJEE CCCCCCCCCCCCCC=C[C@H](O)[C@H](C)N 2333297249 ZREXGWPJFRJAJU-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1CC2(F)F 2333706316 KMVIWZVGCJFHNC-KKUMJFAQSA-N 271.395 4.666 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2333962109 XZPRNTZLSAXTKF-NKXHUJMZSA-N 263.469 4.760 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCC[C@H]1OC 2335075848 MMZNERYZCVLVID-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C(CC1CC1)CC1CC1 2335221410 JUWBXACEVGPKQF-GOSISDBHSA-N 262.437 4.988 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)cc1C 2335228732 BXDDKUQMXHROGK-LSDHHAIUSA-N 277.477 4.940 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CNC1CC1 2335572779 WUSLVKIWOQJNRF-GFCCVEGCSA-N 295.879 4.957 30 10 CJEE C=CCCCCCCC[C@](O)(CC)[C@H]1CCCCO1 2337288378 WIHKRSCLUMKBOD-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C=CCC(CC=C)[C@H](CSc1ccccc1Cl)NC 2338724085 DIOYGQINQSOUGY-HNNXBMFYSA-N 295.879 4.789 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H]1CCC12CCC2)NCC 2338744363 NHKWEJXHRKUHJE-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C#Cc1ccccc1NC1CCCCCCCCC1 2339908679 PWFYQBMAYPZZOP-UHFFFAOYSA-N 255.405 4.973 30 10 CJEE CC(C)c1ccc(F)cc1NC[C@H](C#N)C(C)(C)C 2340242662 OGKLWPRQDFJKNB-LBPRGKRZSA-N 262.372 4.547 30 10 CJEE CCCCCC#CC[C@H](CCC[C@@H]1C[C@@H]1C)NCC 2341493374 BNCFGRZIMFCUFH-RCCFBDPRSA-N 263.469 4.765 30 10 CJEE C=C(C)C[C@H](C[C@H]1CCC[C@@H](C(F)(F)F)C1)NCC 2341928514 IOBFDJRILPGGFS-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(CC(C)C)c1 2344338456 ZLFFJMJRXYZAQX-ZWKOTPCHSA-N 259.437 4.877 30 10 CJEE C=CCC(C)(C)[C@H](CC1[C@H]2CCCC[C@H]12)NCCC 2344372103 PKBSPCLOIWXMRU-ZOBUZTSGSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cccc(CC)c1 2344381447 UXIFXVGVIOWHBM-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C(CC1CC1)CC1CC1 2344394570 DMUOVCJNADHVLT-KSSFIOAISA-N 263.469 4.783 30 10 CJEE C=CC12CC(CCN1CC[C@H](C)CCCC(C)C)C2 2351695233 ZQGRPJVHUUTDTB-WWDZGPRUSA-N 263.469 4.879 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)CC[C@@H]1CC 2351898974 LLHDBMKVYRRGNI-GOEBONIOSA-N 284.465 4.890 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cccc(Cl)c1C#N 2352168586 ZMKWBCKGHPXJBF-HNNXBMFYSA-N 297.851 4.573 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354851913 ORABTYYVHHNGTL-NYTXWWLZSA-N 279.374 4.922 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NN 2358322352 OWMOKQHUECCHEW-SQNIBIBYSA-N 278.484 4.561 30 10 CJEE C=C(C)COCc1cccc(Oc2ccccc2)c1 3055258 AABFYQASQYJLMJ-UHFFFAOYSA-N 254.329 4.572 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1/C(=O)C[C@H]2[C@@H]1C2(C)C 16041745 XFVXJCUKDGDYGB-WNLSLORLSA-N 291.394 4.771 30 10 CJEE Cc1ccc(/N=C\N(C)/C=N/c2ccc(C)cc2C)c(C)c1 18117389 QXAITBQSYVNQDR-AYRZQKSOSA-N 293.414 4.872 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cccc(C(F)(F)F)c1 37938005 KVKOEMPDOFMFEP-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE N#C[C@H](CCOc1cccc(F)c1)c1cccc(Cl)c1 57685933 VCNKNKSRAXBPNG-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE N#C[C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 57750229 GYCGDTUKMQTFSE-LBPRGKRZSA-N 294.156 4.982 30 10 CJEE Cc1[nH]c2ccccc2c1/C=N/c1ccccc1Cl 59518222 UOJACLWQWCERGM-VCHYOVAHSA-N 268.747 4.880 30 10 CJEE N#Cc1cccc(-c2csc(-c3ccc(F)cc3F)n2)c1 62938260 WORZDNDZRONTJV-UHFFFAOYSA-N 298.317 4.627 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C 84984269 GTOHBXWPLKLUEG-GVXVVHGQSA-N 296.336 4.814 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@@H](S[C@H]2CCC[C@@H](C)C2)C1 93747414 OVDLISIFOYVFJU-YYIAUSFCSA-N 294.508 4.501 30 10 CJEE Cc1ccc(C)c(OC[C@H](CS)C(C)(C)C)c1C 94584276 SXPAYBHMGVDVLW-CQSZACIVSA-N 266.450 4.583 30 10 CJEE CCCCCCCN1C[C@H](C)Nc2cc(F)c(F)cc21 106597468 WGUREGBGPQEXIL-LBPRGKRZSA-N 282.378 4.556 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1cccc(Cl)c1 109779989 WHZNLHCSNAFQEZ-MRXNPFEDSA-N 283.843 4.863 30 10 CJEE CCCCCCCCCOC(=O)c1cc(N)cn1C(C)C 109895772 RPYIMFDBVLIZEL-UHFFFAOYSA-N 294.439 4.559 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 111669294 UFNUZFURSNEMSL-JTQLQIEISA-N 284.325 4.814 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C)ccn1 111728408 LZVWJOMBWIUFRL-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](N)CC)cc1Cl 111890056 JVFPAKRNKOPAIU-HNNXBMFYSA-N 297.870 4.969 30 10 CJEE CCC[C@@H](CC1CCCCC1)C(=O)[C@H](C#N)c1ccccn1 113652241 KTUNRXSJJRQLKH-DLBZAZTESA-N 298.430 4.645 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@@]1(C)CC 114062244 GFSXHTDGJSTUSR-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC(=O)[C@H](C#N)CC(C)C 115063684 FKTBMXYXSILJJE-HNNXBMFYSA-N 251.414 4.882 30 10 CJEE CCCCCCCCC(=O)[C@@](C)(CC)N1CCCC1 118158592 UVRKTRXQFJFWIN-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE CCCCCCCC[C@@H](O)C1(N(CC)CC)CCCC1 118175155 KEKALCJEMUDBAA-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@H](N)C1(N(CC)CC)CCCC1 118175609 VKZKHRUTOIUPJH-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCn1cccc1[C@H](C)NCCC 118238701 FDZUOJOWOAONHF-INIZCTEOSA-N 264.457 4.909 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1nccn1C 122605221 ZVRZIQKSXAIYSJ-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCCNc1cc(N)cc(OC)c1 124137514 GHODIDRFPOHJMO-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE CCCC[C@H](CC)COc1c(C#N)oc2ccccc12 126036650 CTTXFCJOXHKHCQ-ZDUSSCGKSA-N 271.360 4.900 30 10 CJEE Cc1ccc(C(C)C)cc1OCC#Cc1ccccc1 127273592 BWUDYYCWAKVJKT-UHFFFAOYSA-N 264.368 4.549 30 10 CJEE C=CCCC[C@@H](NCC)c1sccc1Br 128844041 RRDNFMJJUUCLHQ-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCCCC[C@H](NN)C(C)(C)C 132744332 CNIRPSQDAHOZJT-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(C#N)Nc1ccccc1Cl 156060779 FWCFBRKKWNXNPH-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCNc1cc(C#N)cc(C)n1 161095073 WLBFSJSNMYMNIA-UHFFFAOYSA-N 273.424 4.814 30 10 CJEE N#Cc1ccc(Cl)cc1NC(=O)CC1CCCCCC1 162002751 NIYCOGVVSJJCOK-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@@H]1N 164009339 ZVCLTLUFQUFXAJ-QGTPRVQTSA-N 275.436 4.549 30 10 CJEE C=C(C)CC[C@@H](CSc1ccccc1Cl)NCC 164644113 LVHZNQAYTZFQNZ-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE CCCN(CCC)[C@@H](C#N)c1cccc(Cl)c1Cl 212987366 QNILTZMHQZEJAD-ZDUSSCGKSA-N 285.218 4.680 30 10 CJEE CCCCCCCC[C@@]1(N)C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 217896664 DRBZMORDIBFUNN-QXDIGNSFSA-N 263.469 4.891 30 10 CJEE CCCCCCCCCOc1cc(F)cc(C[C@@H](C)N)c1 223632297 CUCDDUHZXWDMKB-OAHLLOKOSA-N 295.442 4.845 30 10 CJEE C=C(CC)CNc1c(Cl)cc(F)cc1Br 232167306 KTMWMUBASFSXMI-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(F)c2ccccc12 232857319 NYYDBUZZDFZXRQ-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(S)cc1 232940134 SKYINUNCSANZJJ-UHFFFAOYSA-N 293.476 4.846 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@@H]1CNCCC 232949192 MTUJIBYRTXSPPE-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCOc1cc(F)ccc1C(=O)O 232953368 BYFICJLEILOUTC-UHFFFAOYSA-N 282.355 4.653 30 10 CJEE CCCCCCCCCc1nc2ccc(Cl)cn2c1N 232963515 BQIITRRBIZXTAK-UHFFFAOYSA-N 293.842 4.863 30 10 CJEE Cc1cccc(N[C@H](C)c2cccc(Cl)c2)c1C#N 235253112 HFBHESAJLYHUAP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(Br)c2F)CC1 235617996 DWJLZSWNQOCJOB-SECBINFHSA-N 297.167 4.517 30 10 CJEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(O)CCC[C@]23C)C1 257515457 PRMYVLHDWLBDQX-ZRSRNVLSSA-N 274.448 4.866 30 10 CJEE C[C@H](C#N)c1cccc2ccn(C3CCCCC3)c12 260043735 OATBOPOUINQNFM-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1N 300256130 DVOOYYDMLAWDCN-BZUAXINKSA-N 251.458 4.913 30 10 CJEE N#C[C@H]1CCC[C@H]1Sc1cc(Cl)cc(Cl)c1 304300143 AYEJPOQSMZZZCJ-PRHODGIISA-N 272.200 4.778 30 10 CJEE C=CCC(C)(C)CN[C@@H](c1cccs1)C(C)C 310546224 DSOQTGIHTMYREM-CQSZACIVSA-N 251.439 4.637 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC2(O)CCCCC2)CC1 312586266 DCZACTALONXEJM-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@]2(C)CCC[C@@]2(C)O)CC1 313163724 PBTBYLYRKFHQOA-FFDQMNFHSA-N 277.452 4.674 30 10 CJEE CCCCCCCCOc1cccc2c1[C@H](NC)CC2 313461693 DDDWFJMHPDKZGM-MRXNPFEDSA-N 275.436 4.633 30 10 CJEE CCC1CCC(C=O)(CCSc2ccccc2)CC1 317423398 GDKARWUPFLPDGX-UHFFFAOYSA-N 276.445 4.954 30 10 CJEE N#Cc1ncccc1CSc1ccc(Cl)cc1Cl 322719808 RYGDWAKYNTVWFT-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE CCO[C@@H]1C[C@@H](C2(C#N)CCC(CC)CC2)C1(C)C 378699401 IHBGHTASNTUQBK-GYMHETDLSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCN1CCCCC[C@@H]1C[C@H](C)N 380148651 ROFXVBQBXHGMKY-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C[C@]1(c2cccc(Cl)c2Cl)CCC[C@H](CC#N)O1 386292879 DFJQILAMGPMLBC-QMTHXVAHSA-N 284.186 4.691 30 10 CJEE C=CC[C@@H](CC)N[C@H](CC)c1ccc(Br)cc1 393817600 ZDOVBGNUWUHHJI-HUUCEWRRSA-N 296.252 4.845 30 10 CJEE C=CCCC[C@H](C)NC1CC(C)(C)CC(C)(C)C1 398095369 FEETXXSAYURZJM-AWEZNQCLSA-N 251.458 4.926 30 10 CJEE CCCC1CCC(C#N)(CCc2cccc(C)n2)CC1 399748730 LYDMXYZOBFQTOG-UHFFFAOYSA-N 270.420 4.823 30 10 CJEE C=CC[C@H](NCCC)c1ccc(C)c2ccccc12 399804653 FXDLEKLCDAQUQY-SFHVURJKSA-N 253.389 4.765 30 10 CJEE C=CC[C@H](CNC(C)(C)C)CC(F)(F)c1ccccc1 400615317 KFZVGUSLAZWGTN-AWEZNQCLSA-N 281.390 4.749 30 10 CJEE CCCCCCC[C@@H](CC(F)(F)C(F)F)NCC 400899985 LDJRFEDVELSONQ-NSHDSACASA-N 271.342 4.616 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@@]1(C#N)CCCC(C)(C)C1=O 402249129 AYZFCBSRDJCFOU-BXUZGUMPSA-N 289.341 4.644 30 10 CJEE CCCCCCCCCC(=O)CCCCCCCN 403238832 QOJLLIDRIPIBGX-UHFFFAOYSA-N 269.473 4.996 30 10 CJEE CCCCCCCCC(=O)C[C@@H](C)NC(=O)OC(C)(C)C 405694975 GBEFJLGXDGCMNA-CQSZACIVSA-N 299.455 4.609 30 10 CJEE CCCCCCCCCCN1[C@H]2CC[C@H]1[C@@H](C)C(=O)C2 686170929 QTYYFHIYEHXFDR-IKGGRYGDSA-N 279.468 4.569 30 10 CJEE C#CCCCCC[C@H]1CC(C)(C)CC[C@@H]1CNCC 686693374 RYWUXVDPZHGIPH-DLBZAZTESA-N 263.469 4.622 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC[C@@H]2CCCO2)C1 688005660 LXJMYJQTOHEGHV-OAHLLOKOSA-N 280.452 4.757 30 10 CJEE CCCCCCCCCC[C@](C)(O)C[C@@H]1CCOC1 689739288 PPQUEWZINJXIEE-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cccc(C2CCC2)c1 690172096 VMWLWUJKCLVITC-OAHLLOKOSA-N 256.393 4.552 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692378042 QBFLYHKFDPMQHN-VIFPVBQESA-N 290.209 4.995 30 10 CJEE C=CCCSCCN[C@@H]1C[C@H](C)Sc2sccc21 696019738 YZUUOMSYWLMIOB-WCQYABFASA-N 299.530 4.572 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CC1(F)F)NCCC 701984250 MLNPYKOKASEURB-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H](O)Cc1cncc(Cl)c1 703631357 KXBOETQXDBIHAI-INIZCTEOSA-N 283.843 4.779 30 10 CJEE CCCCCCCCCC[C@]1(N)CSC[C@H]1C 704855306 WPQOVPNUKKYXJO-CABCVRRESA-N 257.487 4.598 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1cccc(Cl)c1F 704937475 VNKBKDGXFSACTB-NTZNESFSSA-N 265.759 4.913 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)cc1 706535224 MTNWNXNXVUWXGX-GFCCVEGCSA-N 251.801 4.593 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 708029437 WGXIUEUMMNMUDI-MISXGVKJSA-N 269.310 4.995 30 10 CJEE CC(=NO)c1cc(C)ccc1OC[C@H](C)CC(C)(C)C 709240213 ZSENMOQPHLWZIW-CYBMUJFWSA-N 277.408 4.644 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCCC2(CC2)C1 710143015 VWNPWHRTPPXRHM-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H](CC)c1ccccc1 710642319 AFKUQBUWEREOMY-HOTGVXAUSA-N 265.828 4.691 30 10 CJEE CC#CCC[C@@H](C[C@@H](CC)C(C)(C)C)NCCC 711200988 WQUWJOZSZGWRBO-CVEARBPZSA-N 251.458 4.621 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H]1C[C@H]1C1CC1 712637299 JSNPYYQNJXDHBE-XIRDDKMYSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](CCCOC(F)(F)F)NCC 713400637 IDQOBQZZPCUXBU-CYBMUJFWSA-N 283.378 4.642 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)ccc1C 715707853 ZORNMDGYWSVFCB-IUODEOHRSA-N 251.801 4.511 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1cccc(CC#N)c1 719223275 DNZSERDNPHZQRC-INIZCTEOSA-N 256.393 4.523 30 10 CJEE C=C1CCC(Cn2c(S)nc3cccc(Cl)c32)CC1 724464619 OHRQLEBQKTULPD-UHFFFAOYSA-N 292.835 4.725 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(Cl)ccc2F)CC1 724544553 LHYGPILDWMGESY-MRXNPFEDSA-N 281.802 4.876 30 10 CJEE C=CCCCCCN(C)C(=O)c1sccc1C(F)F 820188151 FVYIHFOSFRVHDH-UHFFFAOYSA-N 287.375 4.504 30 10 CJEE Clc1ccccc1N=Cc1cccn1-c1ccccc1 1084307230 QLNPFOUBYSUPIZ-UHFFFAOYSA-N 280.758 4.881 30 10 CJEE C=CCCC[C@H](C(=O)NCC1(C(C)C)CC1)c1ccccc1 1126800294 PYFWAAVHKYYEOM-SFHVURJKSA-N 299.458 4.679 30 10 CJEE C#CCCCC(=O)O[C@@H](CC)c1ccc(C(C)(C)C)cc1 1127683704 MTPQMIAPHACGCL-KRWDZBQOSA-N 286.415 4.782 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 1137006682 ARXUCVHNGOMURF-ROUUACIJSA-N 285.431 4.528 30 10 CJEE C=CC[C@@H](C)SCc1ccc(C(F)(F)F)cc1 1166130086 CHFHOHCHYBGXMP-SNVBAGLBSA-N 260.324 4.903 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(OCC)c3cccnc23)C1 1180613718 SUNXRAFOAWWVKC-LSDHHAIUSA-N 296.414 4.790 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OCCC)c(C)c2)C1 1183157733 STJROIXDEKTOML-WBVHZDCISA-N 273.420 4.941 30 10 CJEE C=CCn1c(SC[C@@H]2CC[C@@H]3C[C@H]3C2)nc2ccccc21 1188053978 WBZASUHGWWWSMT-RBSFLKMASA-N 298.455 4.751 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC[C@H](C)C1 1190456663 COIXQZKZQQUYFJ-FUHWJXTLSA-N 287.447 4.510 30 10 CJEE C=CCCN(CCCC)Cc1ccccc1Cl 1190751730 CUDKUIBRLWIQJF-UHFFFAOYSA-N 251.801 4.518 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2cc3ccccc3s2)C1 1202560787 MLUCDQUWXXHPPG-GDBMZVCRSA-N 285.456 4.778 30 10 CJEE C=CCC[C@H](CC)NCc1ccc2sccc2c1 1206128078 PYBCYHMVZCSAPK-HNNXBMFYSA-N 259.418 4.736 30 10 CJEE C=C1CCC(C(=O)N(c2ccc(C)cc2)C2CCC2)CC1 1288809864 GBBFGRJNLZNJID-UHFFFAOYSA-N 283.415 4.627 30 10 CJEE C=CCCC1(CNc2ccc(C)cc2[N+](=O)[O-])CCCC1 1307163320 DKMBLDMLYRUZQN-UHFFFAOYSA-N 288.391 4.842 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(C)cc2C)c1 1308315677 BACGTUSCRGXGQX-UHFFFAOYSA-N 281.399 4.870 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 1308389107 WVEPOGBKBIVFJP-PLYYQAHHSA-N 289.850 4.920 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc3ccccc3c2)CC1 1310102101 ISTRHCDPOYVDIC-UHFFFAOYSA-N 294.398 4.708 30 10 CJEE C#C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1ccc(Cl)cc1F 1462225799 NUVJDTLCVQRANS-UVBJJODRSA-N 293.813 4.568 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)[C@H]1CCCC[C@@H]1C 1462561119 GXRQSBWMSNBMBT-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCCCN(CC)C[C@H](c1ccccc1)C(C)C 1462637307 VIHOCBMRBUXXFG-SFHVURJKSA-N 259.437 4.714 30 10 CJEE C=CCCC[C@H](NCc1ccn(C(C)C)n1)c1ccccc1 1473759886 QQCZIABHNKQNEN-IBGZPJMESA-N 297.446 4.651 30 10 CJEE C#Cc1cccc(NCC2CCC(CCC)CC2)c1 1474085919 ISAOVCXDJJPDMN-UHFFFAOYSA-N 255.405 4.686 30 10 CJEE C=C(C)[C@H](NC(=O)CC(C)(C)CC)c1ccc(F)c(F)c1 1529492054 LSECQCQFLDMKEW-INIZCTEOSA-N 295.373 4.525 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1cccc(C2CC2)c1 1531086066 WFCILTLKEVWNIU-UHFFFAOYSA-N 297.442 4.773 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1534897124 AMSIAXDWQNFHLW-IRXDYDNUSA-N 285.431 4.590 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 1539055479 WARVJVKOGOBDMZ-UHFFFAOYSA-N 283.371 4.735 30 10 CJEE C=CCCCCNC/C=C\c1c(C)cc(C)cc1C 1560449372 NJWVUWMVCSTVJT-KTKRTIGZSA-N 257.421 4.571 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C1CC2(CCCCC2)C1 1586140291 RXXXECIRSDGZBJ-DOTOQJQBSA-N 289.463 4.598 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(C(C)(C)CC)cc1 1624446265 ILSBXLPWVGXWNL-UHFFFAOYSA-N 288.435 4.852 30 10 CJEE C=CCCCCN[C@H](COc1ccccc1F)C(C)(C)C 1653027876 WVFYTNMQIDUMOS-QGZVFWFLSA-N 293.426 4.565 30 10 CJEE CCCCCCCCCN1CCC(SC)CC1 1654472560 XUCCLCDLXTXQLD-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE C=CCC1(CN[C@@H]2CCOC3(CCCCC3)C2)CCCC1 1656241434 KNKVEDLLNFUXFB-QGZVFWFLSA-N 291.479 4.594 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H]1C(C)=CCC[C@@H]1C 1658557951 NFNFHLOGJKAKQZ-FXAWDEMLSA-N 294.442 4.539 30 10 CJEE C#Cc1ccc(N[C@@H](C)CCC2CCCCC2)cc1 1659064561 UKUQETLHFIKGSU-HNNXBMFYSA-N 255.405 4.829 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC(CC)CC1 1673294597 HVTMMGBJNMRMOB-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=C(CN(C)CC1(CCC)CCC1)c1ccccc1 1883351742 NEJFFEMGSDJIHM-UHFFFAOYSA-N 257.421 4.602 30 10 CJEE C=C1CCC(CN(C)[C@@H](C)c2ccccc2F)CC1 1884407841 RAKDYSUUAUEIHE-AWEZNQCLSA-N 261.384 4.565 30 10 CJEE C=C1CCC(C[C@@](C)(O)c2ccc(C)c(C)c2)CC1 1886358957 IDDAJLRFGXXWHU-GOSISDBHSA-N 258.405 4.647 30 10 CJEE C#CC[C@@H](CNc1ccccc1SCCC)C1CC1 1887442207 RDLLVWRCWMNQFW-HNNXBMFYSA-N 273.445 4.650 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNCCC)CCCCC1(C)C 1887473711 AWDQCENQJYEHAH-FUHWJXTLSA-N 263.469 4.622 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccccc1C1CC1 1890727471 OQUMICBEMFIFFD-UHFFFAOYSA-N 277.411 4.752 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1cccc(Cl)c1 1919414728 ABEWBFAVUSDSNZ-MRXNPFEDSA-N 282.811 4.634 30 10 CJEE CCC[C@H](C#N)C1(O)CCCCCCCCCCC1 1921041145 HWYQVWJUWOTVIK-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE Cc1cnc(C2(C#N)CCC(C(C)(C)C)CC2)c(F)c1 1921511072 OISQGVICXMQMQO-UHFFFAOYSA-N 274.383 4.527 30 10 CJEE COC1(C[C@]2(C#N)CCCC23CCC3)CCCCC1 1921609734 IDZDPYJNRPFFHG-INIZCTEOSA-N 261.409 4.590 30 10 CJEE C=C([C@@H](O)C1CCC(CCCC)CC1)[Si](C)(C)C 1922980774 ZSIKGZWMYWXUCY-UYSNPLJNSA-N 268.517 4.778 30 10 CJEE CC(C)(C)[C@@H](C#N)CN(Cc1ccccc1)CC1CCCC1 1931885065 CKRWKKMQSCMBKD-IBGZPJMESA-N 298.474 4.865 30 10 CJEE C[C@@H](CCS)CCSC1CCC(F)(F)CC1 1936201605 DNMZLOINVGEFBN-JTQLQIEISA-N 268.438 4.644 30 10 CJEE CCC[C@@H](C)CCNc1cccc(Br)c1C#N 1942819770 ZEEVMWCUGXHZJN-LLVKDONJSA-N 295.224 4.559 30 10 CJEE CCCCCCCCC[C@]1(O)CCS[C@@H](C)C1 1946365248 URPZWRXFCGOHPS-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCCN1CCO[C@H](CC)CC1 1966594095 OULJIAKNFACNFO-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1csc(C2CCCC2)n1 1969551614 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30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc2ccccc12 2344460975 WINGKWWHTDWCIS-MSOLQXFVSA-N 254.373 4.866 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(C(F)F)c1F 2344463832 GYDZNUONEGYJMS-HIFRSBDPSA-N 272.310 4.789 30 10 CJEE CC(C)=CCC[C@@H](C)CCOC[C@]1(CS)CC1(F)F 2351886712 CXODEDPUPRIODP-KGLIPLIRSA-N 292.435 4.731 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCC 2352838274 WROWJJHCFSZMPH-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE C=C1CC(CNC)([C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353224634 ZIWWOMICESUSSW-LBPRGKRZSA-N 298.257 4.961 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12 2357492202 MLJSPPLBFICAOQ-XWSJACJDSA-N 269.432 4.504 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358456112 XIUNFSMCYJTMAB-WNRNVDISSA-N 282.468 4.693 30 10 CJEE N#Cc1cc(F)c(Cl)cc1OC(CC1CC1)CC1CC1 2360336229 IKLZHCVGZGXPEM-UHFFFAOYSA-N 293.769 4.698 30 10 CJEE C=CC[C@H](C)Sc1cccc(OC)c1[C@H](C)NCCC 2360371360 LOCYIGPHDHMQRH-KBPBESRZSA-N 293.476 4.813 30 10 CJEE CC(=O)/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1 33856240 KVCYUKZEPXMSBM-WAYWQWQTSA-N 281.138 4.856 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 37256602 VCZURQJNHMMTEM-GXFFZTMASA-N 282.309 4.568 30 10 CJEE CSc1ccc([C@H](C)Nc2ccc(F)c(C#N)c2)cc1 51635531 UTXNGYPIGMIPLX-NSHDSACASA-N 286.375 4.592 30 10 CJEE N#C[C@H](Cc1cccc2ccccc12)c1ccc(F)cc1 57739030 GJMHKEADYDCHRI-KRWDZBQOSA-N 275.326 4.829 30 10 CJEE COc1cccc(C[C@H](C#N)c2cccc3ccccc23)c1 57758376 FSTIXFUMMYPFCQ-QGZVFWFLSA-N 287.362 4.698 30 10 CJEE C=CCCOc1c([C@@H](C)NC(C)C)ccc2ccccc12 71274424 GICMFEVAHITKJQ-OAHLLOKOSA-N 283.415 4.854 30 10 CJEE CCCOc1cc(C)c(C(=O)/C=C/c2ccco2)cc1C 83193715 CEXXGRLJTFXZCS-BQYQJAHWSA-N 284.355 4.581 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2csc3ccccc23)C1 91883266 YLHJXLRSKPJJJK-CSMYWGQOSA-N 285.412 4.655 30 10 CJEE N#C[C@H](CSc1cc2ccccc2[nH]1)c1ccccc1 94629351 OIJJKEKQUVYAEX-OAHLLOKOSA-N 278.380 4.567 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1cc(Cl)ccc1C#N)C2 109788201 AIVLWZYPIRGOKW-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCCOCc1ccc(Cl)cc1N 109988829 ROYICHYLVNURAZ-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE CCCCCCCCC[C@H](COc1ccccc1)NC 110518440 KGXZAZMMEHAESS-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE N#Cc1cc(F)ccc1Nc1cccc2ccccc12 111035745 CXZTZGVVPCJSBX-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(N)c2ccccc12 111128212 DGXNPMGCPMQQID-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H](C)OCC 113370636 RGCQRKORLGRWSW-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1cc(F)cc(F)c1 115858110 XIWPWKCDAWWZOR-MRXNPFEDSA-N 293.357 4.892 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](O)C12CCCCCC2 117306233 FVJRNDABADLBRU-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CCOc2ccccc21 123064267 HIMUFQDVHBNDIQ-HZPDHXFCSA-N 275.436 4.631 30 10 CJEE CCC(CC)[C@H](C)Nc1cc(Br)ccc1C#N 123281743 GCHYONUGFDFMIH-JTQLQIEISA-N 295.224 4.557 30 10 CJEE CCCCCCCCN1CCC[C@@H](O)c2ccccc21 123921579 XYWZWZDXHAPOTG-GOSISDBHSA-N 275.436 4.681 30 10 CJEE CCCCCCCCCCNCc1cc(C(=O)O)cs1 124802667 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286.762 4.831 30 10 CJEE CCCCCCCCCCCC[C@@](CN)(CO)C1CC1 232950819 MAPCWQXMMBTKJH-GOSISDBHSA-N 283.500 4.645 30 10 CJEE C=CCCCCCC1(C(=O)O)CCCCCCC1 236409872 XQHLYQHAKZKEGJ-UHFFFAOYSA-N 252.398 4.938 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1O 252720564 LDLZUAPLDYIKAP-ZTFGCOKTSA-N 276.420 4.583 30 10 CJEE CC1(C)[C@@H]2C[C@@H](Sc3ccccc3)[C@@](C)(S)C[C@H]21 299814398 GEINJCZBPBJHJU-KQTLUZQSSA-N 278.486 4.902 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)C[C@H](C)CC 300521285 OYLXPTBSHXFOSE-MSOLQXFVSA-N 284.532 4.822 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCCC(F)(F)C1 302371718 NEYQSSJAMQHGLE-KBPBESRZSA-N 261.400 4.760 30 10 CJEE CC(=NO)c1ccc(C)cc1OCCC1CCCCC1 312198403 DLWHROJXFAQYLA-UHFFFAOYSA-N 275.392 4.542 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OCC[C@@H]2CO2)cc1 312315793 FUNLKEVVTVMUTC-MRXNPFEDSA-N 276.420 4.568 30 10 CJEE COc1ccc(CCC2(C=O)CCCCCCC2)cc1 316850603 IUSAMWUUHAWDEM-UHFFFAOYSA-N 274.404 4.557 30 10 CJEE C=CCCCCC[C@]1(CNCC)CCCC[C@H]1C 317221793 FWBMMJKXHOAMLD-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C#CCCCC1(CNC(C)C)CCC(CCC)CC1 318063742 LRJLYQTXGBSVSI-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1 318489406 COHHRNBFHMGSAA-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCC1CCC([C@]2(C#N)CCc3ccccc3C2)CC1 380039400 YHCVVFWOYCRXRA-XUJQIHCRSA-N 267.416 4.902 30 10 CJEE CN(CCCCCCCCCS)[C@H]1C[C@H]2CC[C@H]1C2 382228020 GNGNRRAUFAFOTM-ULQDDVLXSA-N 283.525 4.767 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C1(O)CCC(C(C)(C)C)CC1 385102848 BEMWJUGQRXJJRY-LMMWMHBBSA-N 277.452 4.674 30 10 CJEE N#C[C@H](CSC1CCCCC1)C1CCCCC1 397079973 AEWPJYCMZLKHPP-CQSZACIVSA-N 251.439 4.772 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1nc2ccccc2s1 398181034 OFLQJOAMQUUYKN-CHWSQXEVSA-N 274.433 4.692 30 10 CJEE CCCCCCCCCCC[C@H](N)C[C@H]1CCOC1 400932207 JJDUSIKUBLUXIY-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCOC1)NCC 400964356 JUMZZBXITFRFCO-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCc1ccc(NCC2(C#N)CCCC2)cc1 405154315 RFBNMSFNHUKQDX-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 552378692 KXHRWQCDWSAATE-QFBILLFUSA-N 299.458 4.557 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 649154370 MVSIVFMYYUYPCU-FUHWJXTLSA-N 295.426 4.509 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCC[C@@H](OC)C1 686364764 TUYTZYGQGLHEGB-HZPDHXFCSA-N 268.441 4.901 30 10 CJEE C#CCCCCC[C@H](NCC)C(C)(C)C(C)(C)C 686690358 SZXQLIMJZMCAFO-HNNXBMFYSA-N 251.458 4.621 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccsc2Cl)C1 688036242 JIJDGCCBOPSZGB-FZMZJTMJSA-N 270.825 4.730 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCCSCC1 690288258 FXFMIOQQZNNKCC-AWEZNQCLSA-N 256.455 4.839 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCOC1(C)C 693278096 SYBIANIDPLPLNB-AWEZNQCLSA-N 254.414 4.511 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC[C@@H](C)CC3)C[C@@H](C1)C2 697305474 XUCONNUXIHXBGT-YGCHCCSUSA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(NCC3CCC(C)(C)CC3)C[C@@H](C1)C2 700212660 IJUIEODCJNHYJS-JWTNVVGKSA-N 275.480 4.927 30 10 CJEE C#C[C@H](N[C@@H](C)c1c(Cl)cccc1Cl)C(C)(C)C 702237268 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CCC1CCC(C#N)([C@]2(O)CCCCCC2(C)C)CC1 719374365 CAUQSLYMNYLYPD-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE CC/C(=C\B1OC(C)(C)C(C)(C)O1)CC1CCCCC1 720408486 PQOQHJYLSXMTPH-BUHFOSPRSA-N 278.245 4.925 30 10 CJEE C=C1CCC(CNc2cccc(Br)c2)CC1 724550069 OEUZGKJWEHHAFI-UHFFFAOYSA-N 280.209 4.607 30 10 CJEE CCCCCCCC(=O)CC1C[C@H](C)O[C@@H](C)C1 724851579 BVTZMEPGMRVCGW-KBPBESRZSA-N 254.414 4.510 30 10 CJEE Cc1ccc(N=C2N[C@@H](C3CCCC3)CCS2)c(C)c1 725072651 VHCWVBGBFCGLCF-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE Cc1ccc2sc(CC#N)cc2c1SC(F)(F)F 725314554 RJFRGZQHOLYRNJ-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE CC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2)cc1 1082519258 GDPAWDHQMVETLE-IHWYPQMZSA-N 286.758 4.521 30 10 CJEE Cc1ccc(N=Cc2cccn2-c2ccccc2)cc1C 1084170529 IIIDYYOCDCURGY-UHFFFAOYSA-N 274.367 4.845 30 10 CJEE O=C1/C(=C/c2c(Cl)cccc2Cl)Nc2ccccc21 1088708691 VGKAZKUDIMJFHG-ZSOIEALJSA-N 290.149 4.643 30 10 CJEE C#Cc1cccc(NC(=O)c2cccc(C3CCCC3)c2)c1 1124748320 VSPWRSUETALWDO-UHFFFAOYSA-N 289.378 4.578 30 10 CJEE 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ICJPECXAVFSZLL-INIZCTEOSA-N 280.431 4.930 30 10 CJEE N#CC1(Cc2ccccc2OC(F)F)CCCCCC1 2282927485 KHTFWFQOURZUDT-UHFFFAOYSA-N 279.330 4.695 30 10 CJEE CC(C)C(C)(CN=C1N[C@@]2(CC[C@@H](C)C2)CS1)C(C)C 2283821019 LQPOQEWHEYWSOR-RHSMWYFYSA-N 296.524 4.556 30 10 CJEE CC(C)(C)C#CC=CCC1(O)CC2(CCCCCC2)C1 2284077022 OSIOUIPKVTWFBL-UHFFFAOYSA-N 274.448 4.848 30 10 CJEE C=CCCCS[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1 2287065790 QUXOHZBPHXMIKY-WMLDXEAASA-N 295.467 4.954 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(F)c(F)c(F)c1 2287468267 SEBIEPAYDVKCFD-OAHLLOKOSA-N 285.353 4.891 30 10 CJEE CCCCCCCCCn1cc([C@@H](NC)C(C)C)cn1 2287900464 XAAWNQSMERCTTH-KRWDZBQOSA-N 279.472 4.550 30 10 CJEE Cc1cc(C#N)cc(NCC2CC(CC(C)(C)C)C2)c1 2289966159 HRUKCJIZTDLKAW-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=C(F)CC1(OCCC(=O)O)CCCCCCCCC1 2292385251 VJCZPKNGVPJGDM-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1[C@H]2CCCC[C@H]21)OCCN 2293019513 OZJSMHXGHGGMCA-WNRNVDISSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)CC(F)F)OCCN 2293600975 SBKOEFDFCSFXRS-HUUCEWRRSA-N 293.442 4.762 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2294089465 OFUPHMGWVMSOEL-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCC(=CC(=O)c1ccc(OC)c2ccccc12)CC 2294614957 YDELQPZPBWAFDU-UHFFFAOYSA-N 268.356 4.778 30 10 CJEE CCCCCCCCC[C@](C)(O)CC(C)(C)[C@H](C)NC 2295588245 NKCMPZXRONNDSH-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CC(C)(C)C[C@](N)(C#N)C1 2295712370 WNAQLUJDWLCRHY-ZOBUZTSGSA-N 296.524 4.736 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Cl)cc1CNCC 2298938536 HMXSUALQRPZOOX-LLVKDONJSA-N 269.841 4.506 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)ccc1F 2304078883 OTMNEBHNCJZUBI-CQSZACIVSA-N 254.732 4.654 30 10 CJEE C=C1CC([C@@H](NCC)c2c(Cl)cc(F)cc2Cl)C1 2313822358 SVILHZKOANYKII-CQSZACIVSA-N 288.193 4.749 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@@H](SC)C1 2314308364 JBHVASXYVKIUEC-XHSDSOJGSA-N 271.514 4.986 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccccc1Cl 2315436485 OKEWLXJKVZXXEJ-HEHGZKQESA-N 263.812 4.735 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCc2sccc21 2316693202 INVGBYOSFDFYAE-AWEZNQCLSA-N 260.402 4.506 30 10 CJEE CCCCCCCCCOCC(=O)CCC1CC1 2318407308 BURRHJXGABGFJX-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2319255875 OSXFLKJSASXODC-LKFCYVNXSA-N 288.193 4.749 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@]1(C)CCCC1(F)F 2321107730 IYTOPYFIQRODSN-HZSPNIEDSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(F)c1Cl 2321126792 DALPZNGOMHVIGO-CABCVRRESA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1c(Cl)ccc(F)c1F 2321225568 QOWJVGPWKZBSEN-UONOGXRCSA-N 274.738 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1CC2CCC1CC2 2321229147 SGXDEZSDZUTKCG-JWRYVHENSA-N 250.426 4.556 30 10 CJEE CC(C)C[C@@H](CS)COCC[C@H]1CCCC12CC2 2328525507 JXGNGFJVKJLNPV-HUUCEWRRSA-N 270.482 4.566 30 10 CJEE CCCCC#CCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2333168777 USAICKBXOZVYCC-ULQDDVLXSA-N 260.421 4.746 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334304806 HWNMURZTBAXKTE-XDNAFOTISA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H]2CC[C@H]1C[C@@H]2N 2334436311 QDTHYSWPTGZPSN-QAETUUGQSA-N 269.448 4.983 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C(CC1CC1)CC1CC1 2335165372 RHVCBLHNTILNHV-CALCHBBNSA-N 259.437 4.528 30 10 CJEE C=C[C@](N)(c1ccccc1)c1c(Cl)cc(F)cc1Cl 2335281165 QQVNLDFAQPMYBA-HNNXBMFYSA-N 296.172 4.521 30 10 CJEE CCCCCCCCCCN(C)CCOC1CCC1 2338455876 FTJCQHJITWSGJL-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc2cc(F)ccc2s1 2338741999 SFUMDSIARJDQHR-MRXNPFEDSA-N 276.376 4.842 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cc(F)cc(Cl)c1 2338808704 WHKWAOOYCOFYJV-ZDUSSCGKSA-N 281.802 4.713 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(F)cc1C1CC1 2339162237 XRAKBROXZNJUPZ-QGZVFWFLSA-N 262.368 4.873 30 10 CJEE SCCCCCCCOC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339240780 PZZXVOXZXIWXNX-ZACQAIPSSA-N 282.493 4.876 30 10 CJEE CC1(C)C[C@@H]1C#C[C@@H](N)c1ccc(-c2cccs2)s1 2339558303 ZEDKFEWQLVVXKO-NWDGAFQWSA-N 287.453 4.526 30 10 CJEE C=C(CC)CN[C@H](CC)c1ccc(C(F)(F)F)cc1 2343725505 PBTIQOOCWLXLTG-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=CC[C@H](C)[C@](O)(CC)c1ccc(C(F)(F)F)cc1 2343779696 SBZZBTABKJWLFQ-SMDDNHRTSA-N 272.310 4.515 30 10 CJEE C=CC1(C[C@H](N)c2cccc(C3CCC3)c2)CCC1 2343783283 CISSKIMXKHPMCW-KRWDZBQOSA-N 255.405 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1coc2ccccc12 2344349007 PKCZVPBIQCKLRF-DLBZAZTESA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCC#CC)NCCC 2344384765 XWYUQAANIDTMAK-QZTJIDSGSA-N 263.469 4.931 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc2cc(F)ccc2o1 2344396341 NFCMJPHIESFRMS-INIZCTEOSA-N 260.308 4.747 30 10 CJEE CCCCCCC[C@@](C)(N[C@@H](C)CCC(C)C)C(=O)O 2353862980 LTMYKELOXFAJIQ-DOTOQJQBSA-N 285.472 4.605 30 10 CJEE CCCCCCCCCCO[C@@]1(C)C[C@@H]2C[C@H]1C[C@@H]2N 2355703840 JODIJDIFJMGOOT-XSLAGTTESA-N 281.484 4.660 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2359661902 MDQDYLOFCOFEKE-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@]12CCCC[C@@H]1CC2 2359766808 BNIVQYWBJGNZLS-ZIFCJYIRSA-N 273.464 4.541 30 10 CJEE C=CCC(CC=C)OC(=O)C=Cc1c(F)cccc1Cl 2360212168 CMXLFHOUGBWJMC-UHFFFAOYSA-N 294.753 4.556 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1C#N 21500681 YQLOBKMKDWYJEC-QGTPRVQTSA-N 271.404 4.536 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 37272578 KHGQCFSMKGDQCW-CQSZACIVSA-N 270.420 4.868 30 10 CJEE CCC1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 37393357 CDFZEGMBTGYUHD-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(OC(F)F)cc1 52859562 RWUVJGSNLWRLEM-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE N#C[C@@H](Cc1ccccc1)c1c(Cl)cccc1Cl 57722827 UPKHRBFCUFYBJO-GFCCVEGCSA-N 276.166 4.843 30 10 CJEE CC(C)(C)/C(N)=N/c1c(Cl)cc(Cl)cc1Cl 62988048 JPZLSSFDEWYHQQ-UHFFFAOYSA-N 279.598 4.682 30 10 CJEE CCSc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 83192737 SHCDQUIHFJBXJX-KPKJPENVSA-N 298.407 4.703 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2c(F)cccc2Cl)C1 87996659 ZNATVOUBSANRGL-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc2sccc2c1 93406649 MLGOLTQOYUQCAV-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE SCC1(CN2CCCc3ccccc32)CCCCCC1 94578238 JLEGJEUMRUKSAP-UHFFFAOYSA-N 289.488 4.710 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cc(F)cc(F)c1 109729251 RTTZEQNSMFYWJU-QGZVFWFLSA-N 283.406 4.975 30 10 CJEE C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(Cl)c1 113317350 JYTSREUGROLAJW-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@H]1CCC 114060544 OZWHAIAPDMGJLL-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC[C@@H](N)CSC(C)(C)C 114863745 BIDYQYQQFLWPEI-CQSZACIVSA-N 259.503 4.986 30 10 CJEE CCCCCCCCCN[C@@H](C)CCC[C@H](C)C(=O)O 116071131 OIMVATCHVZLENJ-HOTGVXAUSA-N 285.472 4.606 30 10 CJEE CCCCCCCCCCNc1ncc(C)cc1N 124756200 DJINOWOWLVJJJC-UHFFFAOYSA-N 263.429 4.525 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2cc(F)ccc2o1 125009045 VTPXWUVWSSXDAS-OAHLLOKOSA-N 292.398 4.827 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 125675867 GEQFQKMKNCJVLH-YPMHNXCESA-N 262.784 4.592 30 10 CJEE CCCCCCCCCC[C@@H](CSCC(C)C)NN 126615168 HVFBDKAGQGNDNQ-INIZCTEOSA-N 288.545 4.738 30 10 CJEE CCCC[C@@H](CC)COc1ccc(C/C(C)=N/O)cc1 127063218 FVIMNQUKIYIJKT-LWFDYCOSSA-N 277.408 4.674 30 10 CJEE CCCCCCCCCCN1Cc2ccccc2C1=N 129396784 WKEAWWZFWWOVCW-UHFFFAOYSA-N 272.436 4.968 30 10 CJEE CCCCCCCCOc1cc(CNCC)c(Cl)cn1 132521721 UCUPPFMYYCDJAO-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE CCCCCC(C)(C)CNc1ccc(C#N)c(C)c1 132702586 HPCAKXGJOSIHJL-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE Cc1cc(C#N)ccc1COc1c(C)cc(Cl)cc1C 165535465 GDEIPFXCDKHNNO-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCCCCCC[C@H](O)c1cc(C)ccc1F 168330668 RZRMGOLDPYXIQC-INIZCTEOSA-N 252.373 4.918 30 10 CJEE C=CCC[C@H](C(=O)OCC(C)(C)CCC#N)c1ccccc1 195046321 XXDGANDULONOTN-KRWDZBQOSA-N 299.414 4.610 30 10 CJEE CCCCCCCCC[C@H](CN)NC1CCCCCC1 232978776 LNDUYPOZVAPXNZ-GOSISDBHSA-N 282.516 4.767 30 10 CJEE C[C@@H]1[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CCC[C@H]1C 252192612 RVLKRUIVZPFHEJ-SUNKGSAMSA-N 296.336 4.814 30 10 CJEE CSc1cccc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 252808372 DMUDZLHVEXUPEB-ITGUQSILSA-N 274.433 4.517 30 10 CJEE N#CC1(c2cccc(F)c2C(F)(F)F)CCCCC1 260473303 JPBKXUGDDJIDNE-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE Cc1sc2cc([C@@H](CC#N)C3CC3)ccc2c1C 260817138 IDMIVHIZESRDMG-HNNXBMFYSA-N 255.386 4.925 30 10 CJEE N#Cc1cccc(Cl)c1NCc1ccc(C(F)F)cc1 302177975 PBOIVRXNNHDBIR-UHFFFAOYSA-N 292.716 4.761 30 10 CJEE CCSc1cccc(F)c1-c1nc(CCS)cs1 302654554 ZRBVTJCZVNPHSO-UHFFFAOYSA-N 299.461 4.534 30 10 CJEE CCCCCCCNc1cc([N+](=O)[O-])ccc1CC 311634530 AVEMQZDXHKSDIQ-UHFFFAOYSA-N 264.369 4.540 30 10 CJEE C=CCCCCCCN[C@H]1CCC[C@H](C(F)(F)F)C1 312049561 BJGWJHBEFWAQNN-KBPBESRZSA-N 277.374 4.834 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C(C)C)CC2)cc1 317285621 JUDYAPGLRINRHU-UHFFFAOYSA-N 258.405 4.569 30 10 CJEE CC#CCC[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317762251 AEXRURYENVIMFI-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCN[C@@H]1CCC(C)(C)C[C@H]1C 380628111 OYXIHXSMWHOISR-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CCCCC1(F)F 381890972 LIARHOORQAVQFH-KBPBESRZSA-N 262.384 4.923 30 10 CJEE CCCC1CCC(C#N)(COC2CCCCC2)CC1 381956198 COKFKEWEUWGNIH-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CCCC2(F)F)CC1 382178439 QKBBRFOTIAFMBI-LBPRGKRZSA-N 255.352 4.922 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(OC3CCC3)cc2)CC1 384913801 DXVDQQPGDWPYQB-ZDUSSCGKSA-N 270.372 4.547 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(C)cc1Cl 387617790 PNHYIAHQOBKSCD-KRWDZBQOSA-N 295.854 4.670 30 10 CJEE N#C[C@@H](CSc1cc2ccccc2[nH]1)C1CCCCC1 397136041 VJPWEWXDODIVIB-HNNXBMFYSA-N 284.428 4.980 30 10 CJEE N#C[C@@H](CNc1cc(Cl)ccc1F)C1CCCCC1 397148828 MOZMRZSCCHYQBW-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@H]2C[C@H]2C1 403469724 OGKDSMCENMJCAM-IXDOHACOSA-N 251.458 4.763 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@H](C)CCC 410374895 OLDMQUCXXQHEKF-CQSZACIVSA-N 259.393 4.570 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1cccc(CC)c1 410394326 XPYVQKBYOUEAHX-UHFFFAOYSA-N 293.410 4.549 30 10 CJEE N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1 514259024 IMBBRWFIAATEHG-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CCCCCCC[C@@H](NCC)C1CCC(OC)CC1 686368350 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C#CC[C@H](C)CC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2228019212 BKBWHDJQGSVPFG-VIFPVBQESA-N 288.696 4.591 30 10 CJEE CC(C)c1cc(C2(C#N)CCC(C)(C)CC2)ccn1 2228119675 DTXZNBQNCAIOSC-UHFFFAOYSA-N 256.393 4.567 30 10 CJEE CC1(COc2cc(Cl)ccc2C#N)CC2(CCC2)C1 2228236088 KUZFBHLIESKIDP-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@]1(C)CC=C(C)CC1 2229028823 CWUVBHBPYDSTNP-AEFFLSMTSA-N 261.453 4.541 30 10 CJEE C=C[C@@H](CCCCC)OCCC[C@H](NCC)C(C)C 2231019855 PPHDLYZBWILIGM-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCCOC[C@H](O)C1CCC1 2231025099 CBRHKAMZMOFWPF-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE C=CCC(C)(C)Oc1cc(C)sc1CN[C@@H](C)CC 2231436496 MGOCAJDNOFEZCP-LBPRGKRZSA-N 281.465 4.678 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C[C@@H](C)CCC 2231945947 LELCXCXJGNVDEJ-DOTOQJQBSA-N 270.457 4.883 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCC1)c1ccc(F)c(Cl)c1 2233364203 LYLXJVJZPCFIRY-CYBMUJFWSA-N 293.769 4.626 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1 2233366642 QPWDHSQQNCULAH-ZDUSSCGKSA-N 295.785 4.872 30 10 CJEE C=CCCCCCCCCO[C@H](CCC)CNC1CC1 2234050337 FFRUJVLPNYCOIX-GOSISDBHSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@@H](CC=Cc1ccccc1)NN 2234603611 IOVFQRINYQIGQM-SFHVURJKSA-N 274.452 4.672 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc2cnn(C)c2s1 2235519434 PWSUKFHLXWPXGW-AWEZNQCLSA-N 291.464 4.551 30 10 CJEE C=CCCCCCCCN1CCC2(CCCC2)CC1=O 2235532042 GPNLLMMBJCLCDZ-UHFFFAOYSA-N 277.452 4.696 30 10 CJEE CCCOCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 2238127905 JIKFPWXDVQCMBV-ARFHVFGLSA-N 297.508 4.891 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)[C@@H]1CC1(C)C 2239449217 NPZSSQVHRLDCJF-DLBZAZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC2(CC2)[C@H]1N 2239493719 VZLUKLZGFGMKBR-SJORKVTESA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCCOc1cccnc1C#N 2239547100 DCNMIRNSWJFTTK-UHFFFAOYSA-N 274.408 4.863 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)CC1(COC)CCCCC1 2240107439 ZGZSNAUIWKNFFN-IAGOWNOFSA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@H](C)N1CC[C@@H](CC)C[C@H]1CN 2240575275 UUVIPQWYIKQOGN-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)NCc1cc(CCC)no1 2240637229 GIIQBGASORZICT-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1ccccc1Cl 2240637430 ITTQGTCZDXZZFR-IRXDYDNUSA-N 297.870 4.841 30 10 CJEE CCCCCCCCN=c1ccc2cc(C)ccc2[nH]1 2241065724 CRQAXCHTNMHATC-UHFFFAOYSA-N 270.420 4.738 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@H](CS)CC2CC2)C1 2243691183 DECLWXFWOHCQET-BNOWGMLFSA-N 258.496 4.502 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(Br)c1 2244631410 LPKOMBIMBJSQMX-AWEZNQCLSA-N 282.225 4.585 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(Br)c1 2244645206 SQPRTSKPGPGLRE-CQSZACIVSA-N 283.209 4.619 30 10 CJEE C=C(C)CCCCNc1ccc(F)c(Cl)c1F 2250156272 KCICOZAGZNMLHO-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE C=C(C)CCCCN(C)[C@H](C)C[C@@H](C)C(F)(F)F 2259174156 XDQLFSUHDGKAJE-CHWSQXEVSA-N 265.363 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1[C@H]2CC[C@H]21 2263716981 FFLXXVIUIRZERT-NCOADZHNSA-N 251.458 4.761 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CC(F)(F)C12CCC2 2266152662 NLXQSGJSXHFKOK-UONOGXRCSA-N 271.395 4.536 30 10 CJEE CC(C)(C)C#CC=CCC[C@@H](N)CC1CCCCC1 2268727200 ZCMXUBYWVTWPME-QGZVFWFLSA-N 261.453 4.670 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)c1ccc(Cl)cc1 2268784078 DEUPVMVINFZKFU-KRWDZBQOSA-N 276.807 4.543 30 10 CJEE CCc1ccc(C#N)c(SC2CC3(CC(C)C3)C2)c1 2273301280 XJHQLLQMZAGHOO-UHFFFAOYSA-N 271.429 4.791 30 10 CJEE C[C@@H]1CC[C@@](C)(C(=O)CC#CC2CCCC2)C1(C)C 2274113447 RQFSSADVLXDUES-KDOFPFPSSA-N 260.421 4.602 30 10 CJEE CCCCCCCC[C@H](OCCN)C1(C)CC(C)C1 2276602638 QBTKVYXOFSDZHG-CGZBRXJRSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@H]1C)OCCN 2276770817 LEJMNIAYDYZBHB-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE C=C(C)CCCC[C@H](CCCC(C)C)OCCCN 2276902703 QTKBSQYLAADEBB-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCC(C)(C)C)OCCCN 2277134881 SMLABFVIZIWKCC-KRWDZBQOSA-N 269.473 4.539 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C)c(N)cc1C#N 2278354745 BLZPXIGATHHZHE-CYBMUJFWSA-N 276.449 4.757 30 10 CJEE C=CCCCCCCCCNCc1ccc(SC)nc1 2279295889 HBRXHFSXRNGAGA-UHFFFAOYSA-N 292.492 4.810 30 10 CJEE CN(CCCC(C)(C)C#N)CC[C@H]1CCCCC12CC2 2279668486 GOVDIGSIHHKJIV-MRXNPFEDSA-N 276.468 4.609 30 10 CJEE Cc1cc(OCCCC[C@H]2C[C@H]2C)c(C)c(C)c1C#N 2280460017 QHXBFPQCANMENJ-WBMJQRKESA-N 271.404 4.689 30 10 CJEE C=CCOc1ccc(C(=O)CCCC[C@H]2C[C@@H]2C)cc1 2280464904 DUKCFLARYGUYQD-HOCLYGCPSA-N 272.388 4.651 30 10 CJEE N#Cc1cccc(F)c1N[C@H]1CCCC2(CCCC2)C1 2280476222 LEFFSXNYOVWQMD-AWEZNQCLSA-N 272.367 4.612 30 10 CJEE Cc1cc(N[C@H](C)[C@@H]2CCC[C@@H](C)C2)cc(C)c1C#N 2280570516 OFMPNOWHFWXZOD-DAXOMENPSA-N 270.420 4.802 30 10 CJEE C#CCCCCC[C@@H](C[C@H]1CCCC12CC2)NCCC 2281324219 GKVWRTRKXUOBMC-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)C#Cc1ccccc1F 2281379638 ZGKHENYTVLYGKD-QGZVFWFLSA-N 275.411 4.645 30 10 CJEE CC(C)(C)C#CC=CCc1ccc2ccccc2c1O 2284075093 HEOQNRUBDPIUSW-UHFFFAOYSA-N 264.368 4.694 30 10 CJEE CC(=O)c1ccc(Cl)cc1OCC=CC#CC(C)(C)C 2284078636 ZLWKBIYSHNTDDA-UHFFFAOYSA-N 290.790 4.527 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC[C@H]1CC1(C)C 2284164559 MGFSBNBKRSTCHW-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@H](C)C(C)(C)N 2286839469 DBGLZNPNILCTDQ-IRXDYDNUSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCSc1cccc(F)c1C(=N)N 2287071922 VYAOKAROWQDHNC-UHFFFAOYSA-N 294.439 4.728 30 10 CJEE C=C(C)CCCCN1CCC[C@H]1c1ccccc1OC 2287379932 RBUHKOJVRNTNAC-KRWDZBQOSA-N 273.420 4.579 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@H](C)C1CCC(C)CC1 2287702606 GMRNRBPLUYUXEF-FPQWYMTMSA-N 281.484 4.528 30 10 CJEE CC(C)N[C@]1(C#N)CCCC[C@@H]1CCSCC(C)(C)C 2288868378 DGUQISJOEQVTAY-WBVHZDCISA-N 296.524 4.606 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@]12CCCC[C@H]1CCC2 2289681402 KYUWSTQWVIQOGM-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CN(C[C@H](CS)CC1CC1)[C@H]1CC(C)(C)CCC1(C)C 2290310759 JQALANHHOAZUPU-CVEARBPZSA-N 297.552 4.869 30 10 CJEE C=C(C)C[C@@]1(OCCC(=O)O)CCC[C@H](CCC)CC1 2291148898 PQOXSWATHZRUSY-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]1CC)OCCC(=O)O 2291230905 ZJBRJKKVXJGKDM-ARFHVFGLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C12CCC(CC1)C2 2293660518 OBZDELKIBHXZLP-LXPRWKDFSA-N 281.484 4.661 30 10 CJEE N#Cc1sccc1CN[C@@H]1CCCC2(CCCCC2)C1 2294741250 SRQPPWRQTICBTP-OAHLLOKOSA-N 288.460 4.602 30 10 CJEE C=CCCCCCCCC(=O)C1(COC)CC(F)(F)C1 2295633135 QUZOZLIAHWNKAK-UHFFFAOYSA-N 288.378 4.534 30 10 CJEE CCCC[C@H](CC)CSCC[C@@H]1CCC[C@@]1(C#N)NC 2295764362 RVSCYZSTROZNDH-ULQDDVLXSA-N 296.524 4.608 30 10 CJEE O=C1C(=Cc2ccc(F)cc2)CCC1=Cc1ccc(F)cc1 2296738315 CKZMWJORQGFJMR-UHFFFAOYSA-N 296.316 4.795 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2311073489 ZNPIDOPPWHFKMM-NNXHMXCWSA-N 250.426 4.534 30 10 CJEE C=C(C)CCCC[S@](=N)(=O)CC1CCC(C)CC1 2313790692 PZBGIDINIYHMCU-JMLCCBQJSA-N 271.470 4.606 30 10 CJEE C=CCC(CC=C)[C@@]1(N)C[C@H](C)Sc2sccc21 2316735396 BDPMMKUIAVSKTK-NHYWBVRUSA-N 279.474 4.555 30 10 CJEE O=C1CCCCC=C1c1cc(C2CC2)ccc1Cl 2317142171 CSRDOOGGCZCSLH-UHFFFAOYSA-N 260.764 4.744 30 10 CJEE C=CCCCCCCN1CCC(F)(F)[C@]1(C)CC 2317945016 PCCQQKYHEGMBGS-AWEZNQCLSA-N 259.384 4.633 30 10 CJEE COc1cc(C(=O)C2=CCCCCCC2)sc1Cl 2317953801 WDPYNSCGJGHHIL-UHFFFAOYSA-N 284.808 4.873 30 10 CJEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)CNC 2318661911 MXFVJACSAUDKEA-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CC[C@H]1C(F)(F)F 2333451546 TXKVYLPEBUOMPC-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CC)CC[C@H]1C(=O)O 2335095026 WSNMWNNZILWOGM-BPLDGKMQSA-N 282.449 4.520 30 10 CJEE C=CCC(CC=C)n1c(S)nc2ccc(F)c(Cl)c21 2335099390 WBCBABLXIMBJMX-UHFFFAOYSA-N 296.798 4.811 30 10 CJEE C=CCC(CC=C)Sc1ccc(N)cc1C(F)(F)F 2335101355 TYMMLEIGGHRSSU-UHFFFAOYSA-N 287.350 4.901 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CCC2(CCCC2)CC1 2337079246 NQRQVQKXBHAWJC-WBVHZDCISA-N 261.453 4.824 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)[C@H]1CC2CCC1CC2 2337095393 ABNVHWAFKAUAPM-IGXMABEMSA-N 261.453 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CCC)c1ccccc1 2337114588 RRTPNGLTZKUIBN-NJAFHUGGSA-N 257.421 4.862 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)(C)C)CC=CCC1 2338729392 FTLYEHWCXVZZGV-SFHVURJKSA-N 261.453 4.869 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2ccc(F)c(C)c2Cl)CC1 2339205805 SRMCLZMJXRIPBD-ZDUSSCGKSA-N 280.770 4.646 30 10 CJEE CSc1cccc(NCCCC[C@H]2C[C@H]2C)c1C#N 2341409369 LYUWGWRQMOQCLO-OLZOCXBDSA-N 274.433 4.518 30 10 CJEE CSc1cc(Nc2ccc(C)c(Cl)c2)ccc1C#N 2353832000 NYBVGIOHCCMXQN-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CCC[C@@H]2C[C@@H]21 2354329289 AEKUCPGVUQGPQU-ZJPYXAASSA-N 280.500 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1 2359392228 DYIGPVGUTBQDBE-QXAKKESOSA-N 273.464 4.670 30 10 CJEE CCCCCCC[C@@H](O)C(=O)C[C@@]12CCCC[C@@H]1CC2 2359802469 LHJVAWCBGWUHBN-NUJGCVRESA-N 280.452 4.637 30 10 CJEE N[C@@H](CC#CC1CCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359891113 BRBZCYYUMULXGL-VJANTYMQSA-N 273.464 4.504 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 21812387 DFRSMLTZOHJRLF-IAGOWNOFSA-N 255.405 4.685 30 10 CJEE N#Cc1c(-c2cccc(Cl)c2)[nH]c(Cl)c1Cl 34331369 JYMYGEKZFNGXFB-UHFFFAOYSA-N 271.534 4.514 30 10 CJEE Cc1cc(OCc2ccc(C#N)cc2F)cc(C)c1Cl 36683328 LQISDVQVTSNLFO-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE N#Cc1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F 36805574 AWCDHVLNRXZZNN-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1cccc(OCCCC#N)c1 37777419 NCBKVMKQMOKVRM-JKSUJKDBSA-N 288.435 4.996 30 10 CJEE Cc1ccccc1CS[C@@H]1CCCCC[C@H]1C#N 54964080 HCEVSCUECWXOAD-GOEBONIOSA-N 259.418 4.701 30 10 CJEE CCCCCCCOc1c(CNCCC)cccc1OC 59272115 FJYPFAHCPPUIDP-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](Cn1ccnc1)C(C)(C)C 59487438 VEHDKLJACNQZSH-SJORKVTESA-N 293.499 4.636 30 10 CJEE N#C[C@H]1CCCCC[C@H]1c1cccc(Br)c1 62670620 YIPIPCACROMLKR-OCCSQVGLSA-N 278.193 4.637 30 10 CJEE CCc1sc(-c2cc(Cl)ccc2C)cc1C#N 77096771 OMGXJIFWZBVBLU-UHFFFAOYSA-N 261.777 4.811 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426659 YBMRRMAETQZFJR-NQBHXWOUSA-N 280.824 4.546 30 10 CJEE COc1ccc(C(=O)/C=C/c2ccccc2)c2ccccc12 83204466 CZEJYBRBVBIKSR-ACCUITESSA-N 288.346 4.745 30 10 CJEE CCCC1(CCC)CC(C#N)(c2ccc(F)cc2)C1 86541442 KYVMISQZKRFXAU-UHFFFAOYSA-N 259.368 4.967 30 10 CJEE N#Cc1cc(N)ccc1Sc1ccc(Cl)c(Cl)c1 88303643 CBQCRFKHKXCLHP-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CC(C)NCc1cccc(SCCCC(C)(C)C#N)c1 90871916 PECKUMDWWAKYIZ-UHFFFAOYSA-N 290.476 4.607 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCCC[C@H]1CO 91357265 QLINAWYGGRATPU-ROUUACIJSA-N 283.500 4.515 30 10 CJEE C=CCCCO[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 91841509 ZRKGPXXDLZEXMZ-JTQLQIEISA-N 287.186 4.547 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@H](C)c2ccccc2)CC1 91884773 MWIYDNQLMPBOCU-ZJZKXORJSA-N 285.431 4.651 30 10 CJEE CCC[C@H](Nc1cccc(F)c1C#N)c1cccs1 93396586 IYROGSZIYMGHAU-AWEZNQCLSA-N 274.364 4.712 30 10 CJEE CC(C)(CS)Cn1c2ccccc2c2ccccc21 94586237 AXJISNKAOVVECR-UHFFFAOYSA-N 269.413 4.751 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 97220877 MHUWILJXQMMSQY-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(CC)C[C@H](NCC)c1oc2ccc(F)cc2c1C 97283892 JZSAWMCCOAORLZ-HNNXBMFYSA-N 275.367 4.887 30 10 CJEE SCCCCCCCCCN1CCC[C@@H]2CCC[C@H]21 97799139 ILFPKEYREKLKKY-DLBZAZTESA-N 283.525 4.911 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)o1)[C@@H](N)CC 109988757 MKHFDPVVPXZIEC-RDJZCZTQSA-N 281.440 4.744 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](C#N)(Nc2ccc(Cl)cc2)C1 110028582 RZQPNIBCGPXWLA-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCO[C@H](CNC1CC1)c1ccc(F)cc1 110067875 NUEYOVDUJWTEEQ-GOSISDBHSA-N 293.426 4.606 30 10 CJEE CCCCCCCO[C@H](CC)[C@H](NC)c1ccccc1 110081530 DJRYUTDGTDGYKB-QZTJIDSGSA-N 277.452 4.713 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccccc1C(F)(F)F 110251488 DIYDJZQFBIHDJF-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@H]1C=O 110258078 ODHNKFXKGFRTDX-SFHVURJKSA-N 281.484 4.961 30 10 CJEE Cc1ccc(Oc2nc(C)ccc2C#N)c(C(C)(C)C)c1 110260284 JJENOFAKGRJOEJ-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCN(CCC)c1ccc(N)cc1 110465725 VZCDDJVOSVLLLH-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1ccncn1 112184542 FJZWNNJRGRZEHQ-MRXNPFEDSA-N 277.456 4.787 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](C)OCC 113051685 POCZVNGPWIOGIY-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@]1(N)CCC[C@H](C(F)(F)F)C1 115086082 QBCBPUFPNRCDRL-QWHCGFSZSA-N 265.363 4.797 30 10 CJEE CCCCCCC[C@H](O)Cc1nc2ccccc2s1 117691464 XDFJXRVCGMOKDC-ZDUSSCGKSA-N 277.433 4.560 30 10 CJEE CCC(CC)(CC)Nc1cc(Br)ccc1C#N 123311571 XQCQOAJMDAIGAD-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CCCCCCC[C@@](N)(CC)c1ccccc1F 123678377 BRXOGYTUIQPXPO-INIZCTEOSA-N 251.389 4.750 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]1(C)CCCCO1 127247568 KPJRAIXTAFEVGW-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC(=O)c1cccc(OC2CC2)c1 128082694 QKPVOLJDVBBVNS-UHFFFAOYSA-N 260.377 4.771 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)ccc1Cl 128644408 QBZZAAVVIVCZDI-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE COc1ccc(C#N)c(Sc2ccc(C(C)C)cc2)c1 130849453 XOOUARKUFDDUAF-UHFFFAOYSA-N 283.396 4.841 30 10 CJEE C=CCSc1ccccc1NCCCSCC 132554397 BRJKIHVMOBEEKH-UHFFFAOYSA-N 267.463 4.520 30 10 CJEE CSc1cccc(O[C@H]2C[C@H](C)CC(C)(C)C2)c1C#N 136708922 MFGRVNYPSOAWDH-STQMWFEESA-N 289.444 4.874 30 10 CJEE CCCCCCC[C@H](NCC)[C@]1(C)CCCS1 139562359 URJBAXXYRBUVLI-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 156189707 SIZZYSKIRXTOPB-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](NCCC)[C@](C)(CC)OC 163654299 NXOJVHLJHDVLIT-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C 164016979 LSYQTUZCGGITDE-NTZNESFSSA-N 296.336 4.814 30 10 CJEE CCSc1cccc(NCCc2ccccc2C)c1C#N 167604880 DHVZANUDYBQOHT-UHFFFAOYSA-N 296.439 4.633 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SC2CCOCC2)C1 217925425 QYXANOLXGRRYBG-LZWOXQAQSA-N 295.492 4.643 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1CCCCC1(C)C 226860102 BMISIOJOPQNETL-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](NC)c2ccccc2O1 229240161 SAWUIWOKJVXOFE-SJLPKXTDSA-N 275.436 4.849 30 10 CJEE CCCCCCCCC[C@H](CC(C)(C)OC)NCC 230965396 FTMPWSVKKMGZIG-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=C(C)CC[C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC 232202850 FEAMKYZVVFFYPH-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232348491 BCCPFKVZTJJRBO-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CCCCCC[C@@H](C)NCCCCC(C)(C)C#N 232938773 NZVBQECVMLPSLS-OAHLLOKOSA-N 252.446 4.655 30 10 CJEE C=CCCCCC[C@@H](NC)C1(OC)CCC(C)(C)CC1 234445113 DCZPXUUNXNUFDV-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c2ccccc12 235278478 VBBJHDPFIQBHFR-CXAGYDPISA-N 264.372 4.702 30 10 CJEE CCCCCCC[C@@H](CN)N(CCCC)[C@H](C)CC 250837505 VSUJKKRHTFTXHY-SJORKVTESA-N 270.505 4.575 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 250839368 WZPDDNWHGTYZKH-ARFHVFGLSA-N 270.457 4.549 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](C)CC[C@H]1C(=O)O 250841396 YBCUNVQEUZSLAC-RBSFLKMASA-N 254.414 4.874 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 251697294 BBPLCDRHMSRSBL-PJXYFTJBSA-N 296.336 4.814 30 10 CJEE c1ccc(N=C(c2ccccc2)c2cccs2)cc1 252625909 QRUPTPOZRURCHI-UHFFFAOYSA-N 263.365 4.917 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2CC[C@H]1C2 252807091 COSQPFLTZSSFJH-NXOAAHMSSA-N 251.458 4.891 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 253096025 PUTQIUFANNCRSG-GUDVDZBRSA-N 295.511 4.753 30 10 CJEE CCn1c([C@H](C)CC#N)cc2cc(C(F)(F)F)ccc21 260190209 YBRQFZWBHJEDHQ-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE CC[C@@H](C)c1ccc(C[C@H](C)C#N)cc1Br 260552181 OHXVFZKGKDVPCD-WDEREUQCSA-N 280.209 4.665 30 10 CJEE Cc1cccc2c1CC[C@H](C#N)[C@@H]2C1CCCCC1 260652822 QLXUCAMRHXBABA-QAPCUYQASA-N 253.389 4.745 30 10 CJEE Cc1ccc2c(c1)c(C(C)(C)C#N)cn2C(=O)OC(C)(C)C 309602146 CAASCMWLHFUNJM-UHFFFAOYSA-N 298.386 4.534 30 10 CJEE N#C[C@]1(C2CCCCCC2)CCCc2ccccc21 311519676 DRHSIRNLAAMSRP-SFHVURJKSA-N 253.389 4.755 30 10 CJEE CCC[C@@H]1CC[C@@H](CNCC)[C@@H](CC#CC(C)(C)C)C1 312205941 KOLWWNZYQIWMEP-SQNIBIBYSA-N 277.496 4.868 30 10 CJEE CCC1CCC(C#N)([C@H]2CCOC3(CCCC3)C2)CC1 312543217 PPODWNQPTXYXGK-CGZBRXJRSA-N 275.436 4.836 30 10 CJEE CCCCCCCCCCCC[C@@]1(CN)CCCO1 315634214 QHCZLLDVGWZISS-KRWDZBQOSA-N 269.473 4.805 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(F)c(C)c1 379910548 QNFQJDDPYWSZKS-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE C=C([C@H](NCC)c1ccc(Cl)cc1Cl)C(F)(F)F 381149211 JLZBBIGNFIIIKQ-NSHDSACASA-N 298.135 4.763 30 10 CJEE C[C@H](CC(C)(C)C)Nc1cccc(OCCCC#N)c1 384661614 WDIGZUMBFPVCSD-CQSZACIVSA-N 274.408 4.606 30 10 CJEE C=C(C)C[C@H](N)c1cc(Cl)cc(Cl)c1Cl 396423199 AQRUWPJSVANHCG-JTQLQIEISA-N 264.583 4.613 30 10 CJEE CC[C@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396634212 DWZAYVSGLDQDJD-REQDGWNSSA-N 264.218 4.535 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@@]1(C#N)CCc2ccccc21 402257848 CZYDPHKFFFTRSG-IUODEOHRSA-N 281.321 4.763 30 10 CJEE N#C[C@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404237753 AVDUKESWUAHFCZ-HQJQHLMTSA-N 289.593 4.751 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 464539744 DZEDEBQWKHHWTG-DOMZBBRYSA-N 279.811 4.510 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 464654301 DSRZIEXIGYXENO-UHOSZYNNSA-N 299.458 4.774 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CCOC1 687419828 ZWGBBXNJRIYVNM-MRXNPFEDSA-N 254.414 4.513 30 10 CJEE N#C[C@H](CNc1cccc(SC(F)F)c1)C1CCCC1 690235602 CUFOHCMHQZYEJB-GFCCVEGCSA-N 296.386 4.743 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCCC[C@@H]2C(C)C)c1 691091440 VLINYKODZNRIRZ-QZTJIDSGSA-N 270.420 4.906 30 10 CJEE CC[C@](C)(Nc1ccc(C(F)(F)F)cc1C#N)C1CC1 691631063 CVXPEIGJWUMZOA-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C)cc1Cl 692280621 MINHSHXEMSJBDS-WMLDXEAASA-N 277.839 4.873 30 10 CJEE CCCCCCCCC(=O)Cc1csc(C2CC2)n1 698974962 ZJXGXGJJLIKZKI-UHFFFAOYSA-N 279.449 4.883 30 10 CJEE CCCCCCCC[C@H](N)c1cnc(C2CC2)s1 699761264 QFZLHRXZCQNITM-ZDUSSCGKSA-N 266.454 4.771 30 10 CJEE C=CC(C)(C)CCN[C@@H]1c2ccccc2CC1(C)C 701867031 JVJYDVCOEUBIOS-MRXNPFEDSA-N 257.421 4.502 30 10 CJEE C#C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)C(C)(C)C 702239764 HAFZETNFQDDSJC-WCBMZHEXSA-N 290.259 4.753 30 10 CJEE C#C[C@@H](N[C@H](c1cccs1)C1CCCC1)C(C)(C)C 702291280 SSZIEQUWAXHRDT-CVEARBPZSA-N 275.461 4.617 30 10 CJEE CCCCCCCC[C@@H](N)c1cccnc1C(F)(F)F 707733867 CQHKAYYFYVQLNZ-CYBMUJFWSA-N 288.357 4.851 30 10 CJEE C=CCCCCCN1Cc2ccc(Br)cc2C1 707987274 VEKZYHKDRZHBRD-UHFFFAOYSA-N 294.236 4.511 30 10 CJEE CCCCCCCN[C@@H](C)C1CCC(F)(F)CC1 709152622 RSQVYIYFVREVKM-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE CCCCCCCCCNCC1C[C@H]2[C@H](C1)C2(F)F 710486781 KWHUSIIFOPCXES-GJZGRUSLSA-N 273.411 4.618 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCCC(C)(C)O2)C1 714370181 LVJLMQZJDFALLD-BFYDXBDKSA-N 263.425 4.834 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)c(C)c1 715707059 VKIULNGEFMIFTE-NHYWBVRUSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1CCC(CC)CC1 715770362 PFMGVCONATVFCI-RDHHWEPZSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](O)c1csc(C(F)(F)F)c1 718685050 BRLLOOVKKJDDKN-LLVKDONJSA-N 278.339 4.937 30 10 CJEE CC(C)C(C)(C)CSc1nc2ccccc2cc1C#N 718781332 GBDUCVPTZLNORP-UHFFFAOYSA-N 284.428 4.881 30 10 CJEE CC(C)(C#N)CCCC[C@]1(C(=O)O)CCC=CCCC1 719056555 KYKXPQHXXYSDHY-KRWDZBQOSA-N 277.408 4.688 30 10 CJEE CN(CCCCCCCCCS)CC1(C)CCC1 720682842 ZHBRSANVLDZRNJ-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE COC[C@@H](CC1(C=O)CC(C)(C)CC(C)(C)C1)C(C)C 721821175 YKBXHMOWXYIXDO-OAHLLOKOSA-N 282.468 4.717 30 10 CJEE CCCCCCCC[C@H](NC)c1ccnn1C1CCC1 724438361 NOMJHCJTWPKBJG-INIZCTEOSA-N 277.456 4.619 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(SCC)cc2)CC1 724553087 QRJXMFYDAXMXIG-QGZVFWFLSA-N 276.445 4.969 30 10 CJEE C=C1CCC(C[C@H](NN)c2ccc3sccc3c2)CC1 724581422 BNVHENCZVCMPMB-INIZCTEOSA-N 286.444 4.542 30 10 CJEE C=C1CCC(C[C@@H](N)c2csc(Cl)c2)CC1 724602961 PTZZCFOQWDEKRH-GFCCVEGCSA-N 255.814 4.538 30 10 CJEE C=C(C)c1cccc(NC(=O)CCCCCCC(C)=O)c1 890890196 LXCXDKUNNOUFJJ-UHFFFAOYSA-N 287.403 4.588 30 10 CJEE C=CC[C@@H](C(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1124374906 GGHKMPZHOTZOTE-GOSISDBHSA-N 280.367 4.569 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](C)CC1CCCCC1 1126324860 DZYDXEHEAIEIEG-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 1126848815 KFPCORPVAOSGDP-SJLPKXTDSA-N 299.458 4.631 30 10 CJEE C=CC[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 1128433794 NNLJJUYOFONRJI-CHIMOYNISA-N 299.197 4.810 30 10 CJEE C=C[C@H](OC(=O)c1cc(C(C)C)oc1C)c1ccccc1 1130934426 MNBOKOAGMUDADF-INIZCTEOSA-N 284.355 4.796 30 10 CJEE C=CCCCCCN1CCCc2ccc(C)c(C)c21 1171216098 CNPPFMORCPVPBK-UHFFFAOYSA-N 257.421 4.802 30 10 CJEE C=CCCC1(CNCc2ccccc2OCC)CCCC1 1179143588 ZNGXVKAKMWXVCM-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCCCCCCCNC(=O)N(C)C1CCC(C)CC1 1229653335 PCFXCNUGGGWKHN-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H](CC)c1ccc(C)cc1 1289491841 FTKUYTBECKGBRB-IEBWSBKVSA-N 299.458 4.836 30 10 CJEE C=C(Cl)CNC(=O)[C@@](C)(CCC)CCCCCC 1293720002 HXNVOLDUDDTDMZ-HNNXBMFYSA-N 273.848 4.632 30 10 CJEE C#Cc1cccc(NCc2ccc(C3CCCC3)cc2)c1 1308347081 QDMHXBPMEOXDDY-UHFFFAOYSA-N 275.395 4.938 30 10 CJEE C=C(CC)CNC/C(C)=C/c1ccccc1C(F)(F)F 1308434985 BXTIMJBCOBJWRR-UKTHLTGXSA-N 283.337 4.665 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccccc1[C@@H](C)CC 1350522814 RDZMXTNLPSVDIU-ZDUSSCGKSA-N 260.377 4.708 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 1435039345 FCAPGCWYCXUFTP-NZSAHSFTSA-N 299.458 4.506 30 10 CJEE C=CCC(C)(C)C(=O)NCc1ccc(-c2cccs2)cc1 1437480298 IDFRMFJHUDDODN-UHFFFAOYSA-N 299.439 4.634 30 10 CJEE C=C[C@H](CC(=O)N[C@H]1CCC[C@H]1CCCC)c1ccccc1 1455968419 VOPMLSGARYNPJV-QRQLOZEOSA-N 299.458 4.821 30 10 CJEE CCCCCCCCCN(C)c1ccccc1N(C)C 1459837997 MUEAITOURIDYGD-UHFFFAOYSA-N 276.468 4.939 30 10 CJEE CCCCCCCCCCN1CC[C@H]([C@@H]2CCCO2)C1 1460748057 CCAZIMJVCXQLSC-ROUUACIJSA-N 281.484 4.628 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@@H]1CCCC1(C)C 1478695322 GUCMNRVWCDKIBA-INIZCTEOSA-N 294.483 4.639 30 10 CJEE C=C(C)CCC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl 1518046506 OSNQHVQBIMKQLD-JTQLQIEISA-N 286.202 4.527 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1cc(Cl)ccc1F 1521004754 QEWVSJHNHNASSF-JTQLQIEISA-N 284.758 4.686 30 10 CJEE C=CC[C@@H]1N(C(=O)C2CC(C(C)(C)C)C2)CCCC1(C)C 1530839293 KWRUOLSDPPDVMC-GPANFISMSA-N 291.479 4.652 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)c(C(F)F)c2)CCCC1 1535965448 AWUPUELUEINFQE-UHFFFAOYSA-N 297.320 4.838 30 10 CJEE C=CCCN[C@H](Cc1ccccc1Cl)c1ccccc1 1559710637 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4.809 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C1CCCCC1 2291573495 NXISFUCXUDZKHE-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCC[C@@H](CC1CCCCCC1)OCCC(=O)O 2292035752 CMHHALYYVXDUSH-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H](C)C[C@H]1C 2293651283 ICNAFSJNDFUYMO-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H](C)C1CCCCC1 2293668094 VWOZUZNBZBVKDR-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](N)(C#Cc2ccccc2Cl)C1 2295226053 FKZIYHSZFQZTLA-MAUKXSAKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCC[C@H]1[C@H](C)N 2295533801 KUXNQASAQVWMLW-BZSNNMDCSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cncn1C(F)F 2295600285 AJKKKDBWVWIQEH-HNNXBMFYSA-N 288.382 4.626 30 10 CJEE C=CCC[C@H](C)[C@@H](N)[C@@](C)(O)CCCCCCCCC 2295682826 URXFEJHISJAPKC-KSZLIROESA-N 283.500 4.808 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(CC1(C)CC1)NC 2295710217 GBKPVEKVIHFOFL-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(OCF)cc1 2295937698 CSMYEWUTMKDBDK-QGZVFWFLSA-N 282.399 4.951 30 10 CJEE Cc1ccc(C=CC(=O)C=Cc2ccc(Cl)cc2)cc1 2296887151 ANGSKDFFJBIPJD-UHFFFAOYSA-N 282.770 4.944 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(C)c(Cl)s1 2301058001 OODQCEHWGKSZTR-CYBMUJFWSA-N 269.841 4.739 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2301193216 ZIDFTHRHPGYYKZ-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE C=C(C)C[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2302906440 VTORYONPFBNEEX-AWEZNQCLSA-N 297.236 4.746 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(F)c(Cl)c(Cl)c1 2307306314 CKLHRQFTOJYEAP-GFCCVEGCSA-N 277.166 4.768 30 10 CJEE CC(C)C[C@H](CS)COC1CCCCCCC1 2308050632 GXUAPFHTWXCPSD-AWEZNQCLSA-N 258.471 4.708 30 10 CJEE CCc1ccc(CSC[C@@H](CS)CC(C)C)o1 2308061901 KLBABBMTRGOHFJ-GFCCVEGCSA-N 272.479 4.667 30 10 CJEE C=CC[C@@H](C)Sc1nc(C(C)(C)C)nc(Cl)c1C 2313627305 SIRHLTXASYTPOT-SECBINFHSA-N 284.856 4.793 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cscc1CC 2316743487 GJFYJURHJALRJO-INIZCTEOSA-N 263.450 4.730 30 10 CJEE C#CCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2316941946 DTPLRUCEBLQZAP-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE C=CCC(C)(C)[C@@H](CCCCCCC1CC1)NC 2321097601 CONBZYITZDLGID-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H](C)C1CCCCC1 2321223307 FVQCYOZKZFIJMU-UAGQMJEPSA-N 252.442 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21 2321237924 RCRUAODGHQBCRK-JZAWBGDQSA-N 250.426 4.556 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cccc(SC(C)C)c1 2327776456 MJZJEUZRLLEZOI-HNNXBMFYSA-N 263.450 4.789 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CC[C@H]1SC 2328047222 YRFHZTJIVUMIDV-HZPDHXFCSA-N 269.498 4.906 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1ccccc1 2335097487 YJPYFTFDXHOQCM-KRWDZBQOSA-N 275.461 4.591 30 10 CJEE Cc1c(C(=O)[C@H](C#N)[C@@H]2CC2(C)C)ccc(Cl)c1Cl 2339051558 BJVYHHQSTDUCSX-MNOVXSKESA-N 296.197 4.670 30 10 CJEE C=CC[C@@H](C)Sc1cc(OC)cc(Cl)c1CNCC 2340241129 QJZORGNRQKWPNV-LLVKDONJSA-N 299.867 4.515 30 10 CJEE C#CC[C@@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341110519 NRKPDNXPSGNBPN-WBMJQRKESA-N 298.257 4.564 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)C[C@@H]1CC[C@H]1C(C)(C)C 2343296159 WWPKXNHYCQZVIN-SOUVJXGZSA-N 285.541 4.583 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1coc(C(F)(F)F)c1 2344397007 QCZNVOPVEUBWFS-STQMWFEESA-N 275.314 4.551 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(OC)ccc(Cl)c1F 2344459875 MDYRCQYLWOWLRV-HUUCEWRRSA-N 286.774 4.514 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(CC2CC2)cc1 2344477638 WDZJLGFFUJIMQI-MSOLQXFVSA-N 258.405 4.665 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2349908676 MDYXMSFZGHPIDG-OAHLLOKOSA-N 297.156 4.879 30 10 CJEE CC(C)C[C@H](CS)COc1ccccc1C(C)(C)C 2353825233 BBDVJQWSPNGJKX-AWEZNQCLSA-N 280.477 4.955 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)C[C@@H]1CCC[C@H]1C 2354025481 APNBSNLGGIEITR-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE O=C1/C(=C\C=C(Cl)Cl)CC/C1=C/C=C(Cl)Cl 5360392 VYTMTXYDGWWBPL-VHOZIDCHSA-N 297.996 4.840 30 10 CJEE Cc1ccc(CNc2ccc(C(C)(C)C#N)cc2)c(C)c1 36922165 OREWKYODLMSHPE-UHFFFAOYSA-N 278.399 4.717 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2)C1 37154146 QOUMPUWDWTWSAN-OFQRWUPVSA-N 259.418 4.887 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1c(Cl)cccc1Cl 37937104 KVLZTBJIQZZLOK-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE CCCCCC[C@H](C)OCCCC[C@@](C)(C#N)NC(C)C 45323939 GDBWEYRVABRQKD-ROUUACIJSA-N 296.499 4.812 30 10 CJEE N#CCc1ccc(-c2ccc(F)cc2)cc1C(F)(F)F 47205218 GWEBVOZTHHFTRN-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1cc(OCC2(C#N)CCCCC2)ccc1Cl 57551148 SAZRSXNLJGPVHD-UHFFFAOYSA-N 263.768 4.501 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2cc(C#N)c3ccccc3n2)C1 68796837 ZYZIBLDCTLGCJL-TZMCWYRMSA-N 282.412 4.777 30 10 CJEE CC[C@@H]1CCCC[C@@]1(C#N)Nc1ccccc1Cl 71162381 MEWXSFNBHHZFGK-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE CCc1cccc2c(C#N)c(Cl)n(Cc3ccccc3)c12 71465903 ZXHRVPIESVNIPW-UHFFFAOYSA-N 294.785 4.777 30 10 CJEE CCCCOc1cccc(-c2cc(CC#N)c(C)s2)c1 77094592 KUOHKTXBHMPEBR-UHFFFAOYSA-N 285.412 4.969 30 10 CJEE CC(C)c1cc(CS)c2cc(Br)ccc2n1 82467223 SEQHHYPTPKZUQM-UHFFFAOYSA-N 296.233 4.551 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(C)c(C)c2)C1 87972336 DMCQSSNZRARJSZ-WMZOPIPTSA-N 255.405 4.956 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCC[C@@H](C)[C@H]2C)CC1 91887213 YFMPFYBWJDGGSY-IUGQGLEPSA-N 277.452 4.530 30 10 CJEE N#Cc1c(F)cccc1Nc1ccccc1SC(F)F 93396505 YRNUBMKXPNDYOB-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(Cl)c2C#N)cc1F 94956804 HEJQTDSJHINICX-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCCCCCCNCc1cccc(OCCC)c1 100048907 JWKLXJFILFQKAH-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCOc1ccc([C@@H](C)CCS)cc1 107575120 JTIKLDGXYSEGGW-ZDUSSCGKSA-N 252.423 4.679 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](C#N)(Nc2ccccc2Cl)C1 110028957 INFSCTNPBVSJGI-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)CCOC1 110213403 DKLMWTICQLOBME-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1C#N 110449737 XNPZMVBVMYYCEF-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCCCCCCn1c(C)c(C)c2cc(CN)ccc21 114622753 LZWJPYZAWDWNSL-UHFFFAOYSA-N 272.436 4.687 30 10 CJEE CCCCCCCCCCCc1nnc([C@H](C)NCC)o1 115862025 DNHJDOPEGQOJCE-HNNXBMFYSA-N 295.471 4.813 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(CC)N(C)C 118150351 NOFBGYHZZZYNTP-QGZVFWFLSA-N 269.473 4.817 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2ccc(F)cc2O1 122047599 SMHHIKJCQBMOGV-DOTOQJQBSA-N 280.383 4.761 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(C)ccc1F 122198561 OSBCKCOESGELHZ-KRWDZBQOSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCCn1c(N)nc2ccccc21 122597665 YDIYNKXZSVPWPJ-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(OC)cc1N 123694332 MTNQHXDNLPQWCL-UHFFFAOYSA-N 291.435 4.991 30 10 CJEE CCCCCCCCCCNc1cccc(F)n1 124886600 WDOGIZVZAYQPFK-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE N#CC1(Cc2cc(F)ccc2Cl)CCCCCC1 126016123 NFOMIORRUKVKOQ-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE CCCCCCCCCC[C@H](CS[C@H](C)CC)NN 126625603 RMTRMARYRZAFJS-HZPDHXFCSA-N 288.545 4.881 30 10 CJEE CCC[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccs1 126976747 QQAULNWXNATTPZ-CYBMUJFWSA-N 292.354 4.851 30 10 CJEE CC(C)NC/C(=C/c1cccc(C#N)c1)C1CCCCC1 127618500 QTOALHVFDAKEOL-UNOMPAQXSA-N 282.431 4.520 30 10 CJEE CCCCCCCCOC(=O)c1ccc(F)cc1C 128665900 CRYJJMKNIALWLW-UHFFFAOYSA-N 266.356 4.651 30 10 CJEE CCCCCCCn1ccc2c([N+](=O)[O-])cccc21 129705893 DXMIAVQDMZMPJR-UHFFFAOYSA-N 260.337 4.520 30 10 CJEE CCCCCCCCC[C@@H](O)Cn1cnc2ccccc21 135351370 JLHMHYRIEOISFB-MRXNPFEDSA-N 288.435 4.538 30 10 CJEE CCC[C@H]1CCCCN1c1cccc(SCC)c1C#N 136692446 NQUACUDCUMHGHP-AWEZNQCLSA-N 288.460 4.829 30 10 CJEE CCCCCCCCC[C@@H](NC)c1snnc1CC 139416430 SRWZQTSWQZNEHE-CQSZACIVSA-N 283.485 4.502 30 10 CJEE CCCCCCC[C@H](COc1ccc(Cl)cc1)NC 139656304 YMXKYJZOVYGXTR-OAHLLOKOSA-N 283.843 4.667 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cnsn1 143497913 WHWZOUVQAXXQDW-AWEZNQCLSA-N 283.485 4.849 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(OC)cs1 158180232 JAUDBAYGIPLWIB-AWEZNQCLSA-N 269.454 4.768 30 10 CJEE C=C[C@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 159766446 CCMNXKDNDIAVLK-LSDHHAIUSA-N 251.373 4.579 30 10 CJEE CCCCCCCCOc1c(C)cccc1CNC1CC1 165412375 VUSLHZQFNOJLNF-UHFFFAOYSA-N 289.463 4.986 30 10 CJEE CC(C)Cc1cccc(C2=CC(=O)CC(C)(C)C2)c1 166178191 YOXUACARFNSZJH-UHFFFAOYSA-N 256.389 4.658 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1C[C@@H]1c1ccccc1 168351556 HJNIKDLZVSBSTA-FGTMMUONSA-N 260.421 4.902 30 10 CJEE CCCCCCCCCCCCCC1=NNC(=O)C1 195995423 IIABTTSCPMCLKO-UHFFFAOYSA-N 266.429 4.563 30 10 CJEE Cc1sc(C23CC4CC(CC(C4)C2)C3)cc1CC#N 217138021 JTNQUVHUUJOFNE-UHFFFAOYSA-N 271.429 4.590 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCCC(=O)O 217538199 SUESMKJJGAOOGC-INIZCTEOSA-N 286.456 4.913 30 10 CJEE CCCCCCCCOc1ccc2c(c1)C(=O)CCC2 218269001 ZLDFIUISDHHQCK-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CCCCCCC[C@H](N)Cc1cc(Cl)cc2c1OCC2 229251957 URJHTXGIUSRZGA-INIZCTEOSA-N 295.854 4.505 30 10 CJEE CC(C)CCCNc1ccc(C#N)c2ccccc12 232545526 KGHYYNLBIYUXSQ-UHFFFAOYSA-N 252.361 4.560 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC(CC)CC1 232974597 BJNAWLZRBKOJPV-GOSISDBHSA-N 282.516 4.576 30 10 CJEE Cc1ccc(Nc2ccc(C)c(Cl)c2)c(C#N)c1 235859132 VKUDUUYECFKQTK-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC[C@H](C)Oc1cccc(N[C@@H]2CCCCC[C@H]2C#N)c1 251367951 QFGPMADAUDZQFK-RLFYNMQTSA-N 286.419 4.748 30 10 CJEE ON=C1[C@H]2CC[C@@H](C2)[C@@H]1n1c2ccccc2c2ccccc21 254303458 SQJXMXVAGRXOEW-JMERFSKESA-N 290.366 4.596 30 10 CJEE CC(C)(C)C[C@@H](C#N)COc1cccc(C(F)(F)F)c1 260388146 KZCGFIYRECTYAX-NSHDSACASA-N 285.309 4.660 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2 300255916 DPPCCGCBTVAVHR-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@H](OC)C12CCC2 308332348 FDFLXPHMUWRRAP-WMZOPIPTSA-N 282.468 4.837 30 10 CJEE CC[C@@H](C#N)c1cc(C)c(OCc2ccccc2)c(C)c1 309983889 WJPDLJHIHIOXOS-KRWDZBQOSA-N 279.383 4.900 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 310922399 RKSDHNCLRPZAAN-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE CC(C)(Nc1cc(Cl)ccc1C#N)c1ccccc1 311960062 OTYWRULTYRJPKR-UHFFFAOYSA-N 270.763 4.559 30 10 CJEE CCCCCCCCC[C@H](O)c1cnc(C)c(C)c1 311984834 PCQMMGDGKMGAKQ-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc3ccccc3n2)C1 312712118 GCLZXPZZFCIXQB-XPKDYRNWSA-N 282.412 4.655 30 10 CJEE N#CC1([C@@]2(O)CCCC23CCCCC3)CCCCCC1 312980984 BBRPBVSFEKUSAX-GOSISDBHSA-N 275.436 4.716 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316763380 SIVRMFAWWPZCDV-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CCCCCCCC1(CNCC)Cc2ccccc2C1 317337232 WRRWZCACNNMKKV-UHFFFAOYSA-N 273.464 4.742 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)CCC[C@@H]1C 317725501 HKLTWZGNRUUUJW-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C1CCC1)C1CC1 324698227 SUXGQKNCNMKOFU-YOEHRIQHSA-N 251.458 4.904 30 10 CJEE CC[C@H](C1CC1)N(C)CCCCCCCCCS 325005704 AWAZUJZAXNOERH-MRXNPFEDSA-N 271.514 4.767 30 10 CJEE C=CCC(C)(C)COc1ccc(C(F)(F)F)cc1C#N 381185706 HSXHDQOTKZTAGT-UHFFFAOYSA-N 283.293 4.558 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(C(C)C)cc1 386871169 XJGQQDKUIMLYEY-KRWDZBQOSA-N 273.464 4.933 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)C[C@H](C)O 398598076 SVVIMZTUYVBMGU-ROUUACIJSA-N 285.516 4.904 30 10 CJEE N#C[C@@]1(C[C@@H]2CC=CCC2)CCCc2ccccc21 402135861 IXLBPZBQQYKVOU-QAPCUYQASA-N 251.373 4.531 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2ccc(C)cc2)o1 538170378 AMOVTOFKMAEYAR-ZDUSSCGKSA-N 288.416 4.882 30 10 CJEE N#Cc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 675047604 WLODIMFSWFVEIP-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H]1C 686466001 CJRVEEJYLWYSRJ-FJIDUMEYSA-N 283.500 4.919 30 10 CJEE Cc1c(F)cccc1N=C1NC2(CCCCC2)CCS1 687323591 ZYEOHUJISFSEIB-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@]1(C)CCOC1 687420045 UVEVTGDTWVCKIX-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 692252709 FXCLUUMWXASXNR-GOEBONIOSA-N 263.812 4.565 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1nc2ccccc2s1 692252848 OSSYENLHPBCZGM-UONOGXRCSA-N 286.444 4.521 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1sccc1Cl 692279148 GXKQRVRRDJWOHA-DGCLKSJQSA-N 269.841 4.626 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CCOC1(C)C 693157070 XKPOJVYMDNCWEO-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1cc(C(F)(F)F)ccc1F 695872511 OMRRRLWYARHXHU-VIFPVBQESA-N 289.272 4.552 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(NC)CCCCC1 695946969 TUWGSMQTQDFPEL-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@]1(CC)CCCNC1 696479000 YYKUKVHBOJAYBG-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCC[C@H]3C(C)C)C[C@@H](C1)C2 697334238 SZEQCVZOFCBDFE-JKHFOPOESA-N 275.480 4.926 30 10 CJEE C=CCC1(Nc2cc(C(C)(C)C)ccn2)CCCC1 699574829 OMVBRUAZFWXGMV-UHFFFAOYSA-N 258.409 4.680 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@H]1CCCC[C@@H]1C 704951181 YXDTZUZQRLTIDH-CORIIIEPSA-N 277.795 4.782 30 10 CJEE CCCCCCCCCCCC(=O)NC1CCC1 712316016 JOAVUVXBANXOGV-UHFFFAOYSA-N 253.430 4.576 30 10 CJEE CC(C)=CC(=O)c1c(Cl)cccc1C(F)(F)F 712540003 IZLNDCNIBFTUPS-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1C[C@@H]1C1CC1 712952833 GNMUWXMHJRHULX-YESZJQIVSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccccc1C(F)(F)F 715705836 OYZNSMSEBAJMAG-WFASDCNBSA-N 285.353 4.958 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)C)CCC(CC)CC1 715827224 GHYGUUYCXHHUGN-KLAILNCOSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C2CC2)s1 716610699 JYDZMJQLDFLLSH-CQSZACIVSA-N 280.481 4.881 30 10 CJEE 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Cc1ccc(-c2cc(CC#N)c(C(C)(C)C)o2)cc1C 77084765 ZUHXRKKTBQMXCQ-UHFFFAOYSA-N 267.372 4.927 30 10 CJEE CC(C)(C)c1cc(C#N)c2ccc(Cl)c(Cl)c2n1 82467802 YMVHGXQNXOQXLS-UHFFFAOYSA-N 279.170 4.711 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C3CC3)cc2)cc1 94521305 HAMWDFLFVVOIFK-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CCCCN(C[C@H](CS)CCC)c1ccccc1 94581684 GXWSVGDAJKDAJY-OAHLLOKOSA-N 265.466 4.639 30 10 CJEE CCCCCCCn1c(C(C)C)nc2c(N)cccc21 104325191 MDZOAWVMMWFMII-UHFFFAOYSA-N 273.424 4.712 30 10 CJEE CCCOc1cc(F)c([C@@H](C)CCC#N)cc1OCCC 107489318 KLDUSCHMOGNGSI-ZDUSSCGKSA-N 293.382 4.811 30 10 CJEE C[C@H](C[C@H]1O[C@@H]1C)c1c(Cl)ccc(Cl)c1Cl 107503829 RUMZFKBXRHHDAW-BRDIYROLSA-N 279.594 4.928 30 10 CJEE CCC#C[C@H](C)Cc1c(C)cc(OCCC)cc1C 107647531 CMJOFDVGJXRWIU-AWEZNQCLSA-N 258.405 4.684 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCC[C@H]1C(C)(C)C 110028914 OAJFKTVYWNWROI-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@H](NC)c1ccccc1 110081441 FPUSQCIOGSINFQ-MOPGFXCFSA-N 291.479 4.959 30 10 CJEE CSc1cccc(Nc2ccc(C#N)cc2Cl)c1 110250787 HXLWMKHMJOSDEV-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1CC 114349091 YMAIPXWIZHMETF-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](CSCC)NCC 114861268 QSGFFFAVHXALLZ-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OC(F)(F)F)cc1 115652913 IUAQLORBTGOTNC-AWEZNQCLSA-N 290.325 4.979 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1COc2ccccc21 124816969 CBFPMWDTBBGTIM-ROUUACIJSA-N 289.463 4.891 30 10 CJEE CCCCCCCCCCNc1cc(CC)ncn1 124879127 YZGOZQZDXCAKCT-UHFFFAOYSA-N 263.429 4.592 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2Cl)C1 126012765 CAMJFICSPMNUNC-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCc3sc(Cl)cc32)c1 127170093 DYWGDEOULAAEDY-CQSZACIVSA-N 287.815 4.872 30 10 CJEE CCCCCCCCCCCC(=O)CCCOC 129038894 SBDNFIOJMAXNIY-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H](C)[C@H](C)C2)C1 129971854 GOLDBZOLRDXQTQ-YYWYGQEZSA-N 290.495 4.709 30 10 CJEE CCCCCCCCn1nc(CC)c([C@@H](C)NC)c1CC 131019567 WVNUCCKTUOPZNZ-OAHLLOKOSA-N 293.499 4.649 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)O 131305942 XIVWQJLDDZFISW-MJBXVCDLSA-N 252.398 4.506 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(F)c(F)c1 147342724 XNRWHVKYUBNGKV-AWEZNQCLSA-N 269.379 4.585 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](OCC)C(C)(C)C 159780278 GZUYTVWCTHZQSV-CABCVRRESA-N 258.446 4.549 30 10 CJEE CCCCCCC[C@H](Cc1cc(Cl)ccc1OC)NC 161999254 LXXDTKYBEWIRNS-MRXNPFEDSA-N 297.870 4.840 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCC)c(Cl)c1)C(C)(C)C 162268897 JSKQUQTXOABMSC-CYBMUJFWSA-N 294.870 4.801 30 10 CJEE N#Cc1cc(SCc2ccccc2)ccc1C(F)(F)F 164510666 MIFFICYZHYWOKY-UHFFFAOYSA-N 293.313 4.869 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnccc1C 168103690 PLACDPGZKUZLKG-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C=C[C@H](CC(=O)N[C@H](CC)c1cccs1)c1ccccc1 179040808 IQYRVBCAWAFVRM-GDBMZVCRSA-N 299.439 4.675 30 10 CJEE C=CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 212175504 SXTPRVLWPFGDNC-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(SC23CC4CC(CC(C4)C2)C3)cc1 216575746 IAKXLLIOIDZUIQ-UHFFFAOYSA-N 269.413 4.619 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 218317404 NQHYYCWFEMCNDC-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C=C1CC[C@@H](C(C)(C)C)C[C@H]1OCc1ccccc1 225243194 CWVMIRODRYMKEP-IAGOWNOFSA-N 258.405 4.974 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]1(C)CCNC1 226346516 LDJUJZCTFPWPIR-SFHVURJKSA-N 281.484 4.866 30 10 CJEE CCCCCCC[C@H](N)c1cccc2ncccc12 228902651 VVBHTLOWNWWNAR-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2ccc(OC)cc2O1 229058687 SZQXZQRKVGCXPK-WMZOPIPTSA-N 291.435 4.597 30 10 CJEE C=CCCCCC[C@H](NCCC)C(CC)(CC)OC 233123963 OLLBMWCQLFZBAF-INIZCTEOSA-N 269.473 4.696 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)CC1 235651219 WBDDVDXIKZDIHX-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(Cl)cc1C 235786861 MCYTYDKSIBQOIR-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(C)nc2ccccc12 235891262 MIWNLHHONJRMDG-QGZVFWFLSA-N 268.404 4.680 30 10 CJEE N#C[C@@H](CSCc1ccccc1Cl)c1ccccc1 236040930 UEICFHJYVDLFEW-HNNXBMFYSA-N 287.815 4.881 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@H]1CC 250821479 LHYOHIXWHSFQRG-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@]1(CNCCOC)C[C@@H]2C[C@@H]2C1 250826504 NVIVNFBGAYIKDA-BWTSREIZSA-N 295.511 4.779 30 10 CJEE N#CCCc1ccc2ccn(C3CCCCC3)c2c1 259970993 INILECCXFSXVDO-UHFFFAOYSA-N 252.361 4.603 30 10 CJEE Cc1cccc2c1C1(CCCCC1)[C@@H](CC#N)CC2 260669526 RSMCRCAHJCWKTF-MRXNPFEDSA-N 253.389 4.673 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC=C(C)CC1 276406971 LNQCMFUNQZDRLS-UHFFFAOYSA-N 298.430 4.722 30 10 CJEE CC[C@H](C)C[S@](=O)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 300450836 ZRPCURLDPVQLSV-FBSOPKPWSA-N 297.508 4.526 30 10 CJEE Cc1cc([C@@H](C)Nc2cccc(CC#N)c2)c(C)s1 313420030 BOXQXTXBJQNUQX-GFCCVEGCSA-N 270.401 4.604 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCCCC1(F)F 316789479 NQEQOGOEBNAHLE-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=CCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 379743447 VSWKQSFMMXDWPM-VIFPVBQESA-N 276.182 4.749 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 380854498 CSBQKOCUGHGKOO-SNVBAGLBSA-N 284.277 4.514 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1sccc1CC 381765626 ZCKRGADMOJNSDJ-HNNXBMFYSA-N 277.477 4.791 30 10 CJEE N#CCCCCCNc1cc(Cl)c(F)c(Cl)c1 385369486 KKAXROQJQWYELK-UHFFFAOYSA-N 275.154 4.628 30 10 CJEE Cc1cc(C)c(NCCCCCC#N)c(Br)c1 385406528 XXOISUDNSLGJOK-UHFFFAOYSA-N 295.224 4.562 30 10 CJEE CCCCCCCCCCNCCC[C@@H]1CCOC1 400597188 CXGGFMSIOOGAMR-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC[C@@H]2CCOC2)CC1 401019927 WWJOZNCYPOGCDT-HPUBIQBYSA-N 263.425 4.549 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](CC)CC(F)(F)F 402594917 AWRANQVBWRFSRA-ZIAGYGMSSA-N 296.421 4.938 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccccc2)cc1Cl 575357943 LOMYBRTZJGBXES-NTMALXAHSA-N 256.732 4.545 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@H](C)c1ccc(C)o1 680996819 UFFKXZCATDBQMS-GDBMZVCRSA-N 291.435 4.880 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCCC 686693439 SMKRHXNISBOAJW-KURKYZTESA-N 263.469 4.622 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CCCC[C@@H]1C 686694062 ILJPEOQSIXPDLZ-WMZOPIPTSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@H](NCCC)C(CC)(CC)OCC 686699026 AAGUKMBVMFYDLE-KRWDZBQOSA-N 281.484 4.534 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1ccc(SC(F)F)cc1 690221248 TVXUGQZGXGQTBD-SNVBAGLBSA-N 284.375 4.599 30 10 CJEE C=CCCCCC[C@@H](NC)c1csc(C(C)C)n1 695417952 RANWKUMNZURLBR-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H](N)C(C)(C)C 702408533 ODUJRUNODCURKG-HOTGVXAUSA-N 271.489 4.642 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C=O)CCc2ccccc2C1 703867687 CAELNBVREJDCAS-KXBFYZLASA-N 272.432 4.823 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccsc1C(F)(F)F 704317942 ICDZNNYSROOGRQ-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE C=C(Cl)C[C@@]1(CNCCC)CCC[C@@H](CC)C1 710678954 MRGUMMBQGBPSBX-CABCVRRESA-N 257.849 4.715 30 10 CJEE C=C(C)CC[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712609349 PMSNWPQVTNODGT-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE CC1(C/N=C2/NC3(CCCCCC3)CS2)CCCCC1 713215415 OWLICQXLFQXFRK-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 715704356 JHOGPIXRPORVSJ-VXGQWTEUSA-N 291.401 4.936 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1(OCC)CCC(C)(C)CC1 715751732 DCNUPSRKQUAPKZ-CVEARBPZSA-N 281.484 4.552 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1cccc(Cl)c1C#N 718970113 ZEVKMACCSJCEIU-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CSc1cccc(O[C@H](C)C2CCCCC2)c1C#N 719752663 BXHMVXHOAILPMN-GFCCVEGCSA-N 275.417 4.628 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cccc(C)c2C)CC1 724574714 GGQUOZVVIAECJE-GOSISDBHSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@H](N)c2cc3ccccc3o2)CC1 724576119 TXMDAQIQRSUYOX-HNNXBMFYSA-N 255.361 4.569 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC(F)(F)C2)CC1 724595656 VBOOUCSERNICKG-CABCVRRESA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@]2(CNC(C)C)CCC[C@@H]2C)CC1 724606977 LPOXVYVEPMZINB-WMZOPIPTSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@]23CCC[C@@H]2C3)CC1 724616137 JDGRXXGKPJCJKW-FGTMMUONSA-N 261.453 4.681 30 10 CJEE N#CCc1cc2sc(SC(F)(F)F)cc2cc1F 725305195 RYMQXMDHZNRDQJ-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE CSc1ccc2c(c1)CC/C(=C/c1ccccc1)C2=O 748146269 HEGVHGRQXRLUOG-PTNGSMBKSA-N 280.392 4.621 30 10 CJEE C=C(CC)CSCc1ccc(SC(=O)N(C)C)cc1 773285383 WWMMVTAJUDVFKT-UHFFFAOYSA-N 295.473 4.660 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C(C)(C)C)c1 821963399 MZZUQNZYCZOYOP-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 1124243739 OZYGCGPRXMREBI-MRXNPFEDSA-N 285.774 4.638 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](C)CCCCCC 1124880982 UEHWFJIXIIXHBY-QGZVFWFLSA-N 287.447 4.808 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1126324701 CISGGZQNAZIWSM-OKZBNKHCSA-N 291.479 4.798 30 10 CJEE C=C(CC)CN(Cc1ccccc1)c1ccc(C)cc1 1168034027 DFGVYJVIFBCGCT-UHFFFAOYSA-N 265.400 4.968 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@H]2CC3CCC2CC3)c(Cl)c1 1207703608 HTLGCCGJHONARR-TWRYWWQQSA-N 287.834 4.948 30 10 CJEE C=CCC1(C(=O)Nc2nc(CCC)cs2)CCCCC1 1358177085 HXXHNZOKCGWMSF-UHFFFAOYSA-N 292.448 4.561 30 10 CJEE C#CCCN(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 1460032652 ZDJAICQLBCKYOP-QGZVFWFLSA-N 275.823 4.526 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)CC1CCCCCC1 1460844766 ROGJCYXGIQVKEJ-IBGZPJMESA-N 299.458 4.651 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1 1461549738 OAFDOGGHSZTMDM-WQANXHIZSA-N 292.378 4.507 30 10 CJEE C#CCCCCCCNC1(c2cccc(Cl)c2)CCC1 1473579892 GHZDONOUEAMHBG-UHFFFAOYSA-N 289.850 4.893 30 10 CJEE C=CCN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)C(C)(C)C 1473651655 PTJNSKHVZCXGGR-ROUUACIJSA-N 287.447 4.583 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(C(C)(C)CC)cc1 1520511695 PQKFYMJKGODVJM-HNNXBMFYSA-N 287.447 4.849 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1524538049 RORFPLYTBMNHMB-GVDBMIGSSA-N 279.468 4.702 30 10 CJEE C=CC1(CC(=O)NC[C@H]2CCCC(C)(C)C2)CCCCC1 1525549701 NJOZAENVZFZYEX-INIZCTEOSA-N 291.479 4.846 30 10 CJEE C=C1CCC(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 1528579265 ODYCQZCDONSNSN-SFHVURJKSA-N 297.442 4.662 30 10 CJEE C=CC(C)(C)CC(=O)N(CCCC)[C@H](C)c1ccccc1 1532403994 YPKOMOSAMBLKET-MRXNPFEDSA-N 287.447 4.979 30 10 CJEE C=CCC1(C(=O)N(C)CCCCc2ccccc2)CCCC1 1534176058 NWTHWGQCPGPIPX-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(C)c2ccccc12 1536777925 JJNXIODDCRAUAM-OAHLLOKOSA-N 281.399 4.623 30 10 CJEE C=CCCCN(CC)C(=O)c1cc(CC)c(CCC)s1 1539022193 BUQLBXVAKSTEFM-UHFFFAOYSA-N 293.476 4.691 30 10 CJEE C=CCC1(CNC/C=C/c2cccc(F)c2)CCCC1 1560471832 YIRRDNIKZIOHDZ-SOFGYWHQSA-N 273.395 4.565 30 10 CJEE C=CCCc1ccccc1NC(=O)NC[C@@]12CCCC[C@@H]1C2 1562692711 NYYOMDNSNWYTIQ-APWZRJJASA-N 298.430 4.507 30 10 CJEE C=CCC(C)(C)CNC(=O)C1(c2ccccc2C)CCCC1 1583714878 DXAKNGPHRZXRQE-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1585402927 MRLFBPOIECCWLH-KRWDZBQOSA-N 299.458 4.631 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(C)CCCCC1 1587233626 IYMPFURIKSUABI-JKSUJKDBSA-N 277.452 4.598 30 10 CJEE Cc1cc(C)cc(C#Cc2ccc(F)c(C(F)(F)F)c2)c1 1614826705 MOFNFNYBWZCFSA-UHFFFAOYSA-N 292.275 4.861 30 10 CJEE C=CCOc1cccc(CNc2ccc(Cl)cc2)c1 1620852829 QEPLOSIXQZNBIC-UHFFFAOYSA-N 273.763 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C=CCCCCCCCC[C@H](N)CCOCCCC 2142439265 LGYFSQVTMIHZGS-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cccc(C)n1 2142442190 SWRIKSRWOZFXRX-MRXNPFEDSA-N 260.425 4.697 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CCC[C@@H]1OC 2142444753 XMOBKZBSCSLAOA-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CCCCCCCOc1cc(Cl)ccc1C=CC(=O)O 2143433663 BGLRFGTXRAHTDK-UHFFFAOYSA-N 296.794 4.787 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCCC)c1csc(C)c1 2147822930 JCYKZELPIBQIRR-DLBZAZTESA-N 297.508 4.819 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@](C)(O)c1ccsc1 2148593942 CAWNXRSRZDTEIE-IAGOWNOFSA-N 297.508 4.814 30 10 CJEE C=C([C@@H](NC)C(CC)(CC)c1ccccc1)C(C)(C)C 2152924613 JHRLZGQKOPSSLR-QGZVFWFLSA-N 273.464 4.935 30 10 CJEE CCCCCCCCC[C@H](NCC)c1nc(OC)cs1 2153849472 RZLOOORDWLAHSW-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1cc[nH]n1 2154097962 BYTMOAJLEPXSDN-MRXNPFEDSA-N 279.472 4.981 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1cc[nH]n1 2154098567 DMZBURLSWZKXAE-MRXNPFEDSA-N 279.472 4.981 30 10 CJEE CCCCCCCCCC[C@H](NC)C1(CCOC)CC1 2157877671 RDRNLSHSKUFTLH-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1NC(=N[C@@H]2CCC[C@@H](C(C)C)CC2)S[C@@H]1CC 2159430962 NSLKEYKECJOMFG-LVQVYYBASA-N 296.524 4.841 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCO[C@H](C)C1 2161599522 CCKZPDSTURADTD-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C)CCC1(OC)OC 2161990522 NISQSLLVANZQFD-CVEARBPZSA-N 286.456 4.541 30 10 CJEE CCCCCCCCC[C@H](N)c1nsc(C(C)(C)C)n1 2163351856 YDODEJAXTPMWHJ-ZDUSSCGKSA-N 297.512 4.976 30 10 CJEE C[C@@H](C1CCC1)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 2164346938 MWEWEEUCWQIJSN-ZFWWWQNUSA-N 277.452 4.530 30 10 CJEE CCCC[C@](C)(CC#CC1CCCCC1)CNC1CC1 2164469490 JOXQDBBWEHWZCD-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCC[C@H](CC1CC2(CC2)C1)NN 2164492887 NBXRHYNNLPSXAS-QGZVFWFLSA-N 280.500 4.929 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CC2(CCCC2)CO1 2166277536 CRAKWAGGYBJERX-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@H](O)C1(COC)CC=CC1 2166523704 ZTOOXPMJRXTMGX-KRWDZBQOSA-N 282.468 4.861 30 10 CJEE N#C[C@@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCc2ccccc21 2168142919 QYFGILVUWXBYQV-ISARSNTHSA-N 265.400 4.611 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1c(Cl)ncn1C 2168189760 AOXCSRHTWOUPJG-CQSZACIVSA-N 299.890 4.865 30 10 CJEE O=CC1(Cc2ccc3ccccc3c2)CCCCCC1 2168319983 OWAYULGBQINISI-UHFFFAOYSA-N 266.384 4.922 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)[C@@H]2CCC[C@@H](C)C2)CC1 2168635621 XNBOHGZNNYOJDL-DPKKHUKBSA-N 277.452 4.674 30 10 CJEE CCCC(C=O)(CCC)CN1C[C@H](C(C)C)CC[C@@H]1C 2172250026 QYTOPZOBPQRDIJ-DLBZAZTESA-N 281.484 4.528 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cnc(C(C)(C)C)s2)C1 2172972098 YGJZXIYKBKJFHA-GUYCJALGSA-N 293.476 4.769 30 10 CJEE N#Cc1cc(F)c(NC[C@@H]2C[C@H]3CCCC[C@@H]32)cc1Cl 2177389555 RTCINNLEQGYTCH-WXHSDQCUSA-N 292.785 4.589 30 10 CJEE N#C[C@@]1(C[C@H]2CCc3ccccc3C2)CCCC12CC2 2178414810 RQHUSTJDYGIWLY-KXBFYZLASA-N 265.400 4.656 30 10 CJEE Cc1cc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)cc(C)n1 2181672821 IJRJVMVUQKKFRW-MRXNPFEDSA-N 271.404 4.654 30 10 CJEE C=CC[C@@](C)(NCc1ccc2ccccc2c1)C(F)F 2182190199 NFODYEMCPFTIAD-QGZVFWFLSA-N 275.342 4.529 30 10 CJEE CCCCCCCCC(=O)c1cccc2ncn(C)c12 2184196248 PDKAMQHOBHBBFY-UHFFFAOYSA-N 272.392 4.507 30 10 CJEE N#C[C@@]1(Cc2cc3ncccc3s2)CCCC(F)(F)C1 2184850997 ROXAYLYIGHCIAQ-CQSZACIVSA-N 292.354 4.558 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1C[C@]2(C)OC 2185223583 AGFQIFQIGNPMQG-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE Cc1cc(Oc2cccc(Cl)c2C#N)ncc1C(F)F 2186490516 GLWPFONVHQZBLA-UHFFFAOYSA-N 294.688 4.645 30 10 CJEE CCCc1ccc(Nc2cc(CC)ccc2C#N)cc1 2188838214 AGGFOSDAZAESDQ-UHFFFAOYSA-N 264.372 4.817 30 10 CJEE CCc1ccc(C#N)c(N(C)[C@@H]2CCC[C@H](C)CC2)c1 2188848663 MNGHKNGAVVVUKX-WMLDXEAASA-N 270.420 4.526 30 10 CJEE C=CC1(CN[C@@H](CC)Cc2ccccc2)CCCCC1 2189513525 VZISZGFTXNKHCY-SFHVURJKSA-N 271.448 4.734 30 10 CJEE N#C[C@@]1(CCc2ccc(Cl)cc2)CCOC12CCCC2 2190318456 MIQUSWIBEKJULT-MRXNPFEDSA-N 289.806 4.516 30 10 CJEE CCCC1CCC(N(C)C[C@](C=O)(CC)C(C)C)CC1 2190478597 MOYIENIZGPQNEB-ABHNRTSZSA-N 281.484 4.528 30 10 CJEE CC1(C)C[C@@H]1CCC[C@@]1(C#N)CCOC12CCCCC2 2190624872 AGISKORXHAHIGP-RDJZCZTQSA-N 275.436 4.836 30 10 CJEE C=C(CN(C)CC1CCC(CC)CC1)c1ccccc1 2195516428 SQQDDGNPWQFJQZ-UHFFFAOYSA-N 271.448 4.848 30 10 CJEE CCCCCCCCCCN1CCO[C@@H](CC(C)C)C1 2195668357 AELLWUHUWGKAPN-SFHVURJKSA-N 283.500 4.874 30 10 CJEE C#CC[C@H](C[C@H](NCC)c1cc(C)cc(Cl)c1)C1CC1 2196835806 FMKQOMCFBNUVLG-QAPCUYQASA-N 289.850 4.739 30 10 CJEE C=C(c1ccccc1)[C@@H](CC1CC(F)(F)C1)NCCC 2197142337 PDPJIUSLGHUBBT-MRXNPFEDSA-N 279.374 4.503 30 10 CJEE C=C(c1ccccc1)[C@@](N)(CC(C)C)c1ccccc1 2197148792 GCABCBVWRAWDRY-IBGZPJMESA-N 265.400 4.600 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H]1CCCC[C@@H]1CC 2197153438 DLXNRRMSLWPVDM-WDSOQIARSA-N 271.448 4.894 30 10 CJEE CCCCCCCCCN(CC(C)C)[C@@H]1CCCOC1 2197184370 WELQEQFTZULGTD-GOSISDBHSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCN(CC(C)C)[C@H]1CCCOC1 2197184371 WELQEQFTZULGTD-SFHVURJKSA-N 283.500 4.874 30 10 CJEE CCC(=NO)c1cccc(O[C@@H]2CCC[C@@H](CC)C2)c1 2197419415 FKRVIZGZRAXCLW-UKRRQHHQSA-N 275.392 4.623 30 10 CJEE Cc1ccc(NCC(C)(C)C2CCCCC2)cc1C#N 2199345843 UNOUBEFUXSMZGF-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CC[C@@]12CC[C@@](C[C@]3(C#N)CCCCC3(C)C)(CO1)C2 2201950745 WRKMHDSRQMFHLS-BZSNNMDCSA-N 275.436 4.836 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@]12CO[C@](C)(C1)C2 2202777681 ZHSYQIGBHHHZGJ-KURKYZTESA-N 282.468 4.837 30 10 CJEE C[C@@H]1C[C@](C=O)(CC2CC(C)(C)CC(C)(C)C2)[C@@H](C)O1 2203251561 SDLOCMAUGDGCQJ-HBUWYVDXSA-N 280.452 4.612 30 10 CJEE CCCC#CC[C@@H](O)c1ccc(-c2ccccc2F)s1 2203781188 ZZIWNRVHPWRCBO-OAHLLOKOSA-N 288.387 4.781 30 10 CJEE CCCCC#CCNc1cccc(-c2ccccc2)c1 2203784332 AERTVASPAGJUMD-UHFFFAOYSA-N 263.384 4.959 30 10 CJEE CCCCCC#CC[C@]1(CNC2CC2)CCC12CCC2 2203809421 GFALXUMZJCRTSY-LJQANCHMSA-N 273.464 4.663 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccccc1C1CC1 2203834313 QMZYIGQFHMCSKO-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCCCCCCOC[C@@H]1CNC[C@@H]1CCC 2205760818 QQQCFQNWPKTTSS-ROUUACIJSA-N 283.500 4.779 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1CCOCC1(C)C 2206890042 DTVSVEOKHRTRTB-SJORKVTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2206903674 UOWWRXTZAHXVMS-LHIBYTEYSA-N 275.480 4.783 30 10 CJEE C=CCCCCCC[C@H](NC)c1cccc(OCC)c1 2206903780 VFPSYMMHIXDRNN-SFHVURJKSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(O)C=CC[C@H](C)C1 2207374843 CXKHNSFONUJVBH-FUHWJXTLSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)C1(CC)CC1 2207377335 MYTIINFVORZQJN-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC(=O)CC1(N)CCCCC1 2207405397 RSJDGGYJIHONFM-UHFFFAOYSA-N 279.468 4.914 30 10 CJEE C=CCCCCCCCCC[C@]1(CN)CCOC1(C)C 2207412255 WLTNEFFEJYIKKQ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C(F)(F)C(C)C 2207442405 QQNPOPADBGCCEP-HNNXBMFYSA-N 290.442 4.807 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1ccc(Cl)c(C)c1 2207447111 WDSHYTMTLQEZHV-INIZCTEOSA-N 296.838 4.943 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2ncc(Cl)s2)CC1 2216090569 UPUNFKTZAGFBTN-CYBMUJFWSA-N 268.813 4.548 30 10 CJEE C=C1CC([C@@H](NCC)c2cc(C)c(Cl)c(C)c2)C1 2217679225 XQDJOQBEQWEOBS-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1C[C@H]1C(C)(F)F 2220083175 GKHDDGFCZUJIRZ-QWHCGFSZSA-N 258.352 4.764 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](C)C1CCC1 2220094558 WGGASAHFISQDAL-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CC1(C)CC(C)(CC2(C=O)CCC(F)(F)CC2)C1 2221013584 LOFJMHNKEVPISS-UHFFFAOYSA-N 258.352 4.597 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1C[C@H]2C[C@@H]1C2 2222285901 VJMJFJBTCVWCIX-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@]1(C)CC1(F)F 2223841304 YTTCNZAJHPJGDR-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2C[C@@H]2C1 2223849698 ZLUNHXOVILIJDV-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](C)O1 2226889979 SIRDXDKKLZTWPN-IXDOHACOSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1[C@H]2CCC[C@H]12 2227274242 TUESMHJYRXAQKP-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncoc1C(C)C 2227282223 VLLZXIUZUMNAON-CQSZACIVSA-N 264.413 4.715 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2CSC[C@H](C2)C1 2228515265 YTOWNEMFWJBLFY-FVQHAEBGSA-N 281.509 4.634 30 10 CJEE CCCCCCCN(C)C[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228532356 PKDPEUIHUFEWBS-BJWYYQGGSA-N 283.525 4.668 30 10 CJEE CCCCCCCCCOCC1(CNCC)CCC1 2230982048 PREDEXOIDODSQS-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE N#Cc1cc(F)ccc1OCc1ccc(Cl)cc1Cl 2231241071 YOEGBFIEIATXER-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@H](CC)CC(F)(F)F 2231486530 KSIRGPIADUFADA-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(C)cc1Cl 2231516316 ZRVYBNHFEUMQDE-PBHICJAKSA-N 279.855 4.771 30 10 CJEE C=C[C@](C)(CCC(C)(C)C(F)(F)F)CN[C@@H](C)CC 2231517548 GVBKNRVIJFCFLM-GXTWGEPZSA-N 279.390 4.936 30 10 CJEE C=C(C)CCOc1cccc(CN[C@@H](C)CC)c1Cl 2231584699 QVHUPBBVFVYIRQ-ZDUSSCGKSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CO[C@@H](C(C)C)C1 2231930352 VLVLNGWBCMVTEF-GVDBMIGSSA-N 269.473 4.529 30 10 CJEE C#C[C@@H](N[C@H](C)CCCCCCCC)C1CCCC1 2231942960 YVIHNXCNNMRYQX-SJLPKXTDSA-N 263.469 4.907 30 10 CJEE Cc1nc(N[C@H]2C[C@H](CC(C)(C)C)C2)c(Cl)cc1C#N 2233097137 CTUVGVLJSLNMLR-AULYBMBSSA-N 291.826 4.542 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1ccc(CC(C)C)cc1 2234695022 MOKQYBUQYVRLOE-LPHOPBHVSA-N 271.448 4.584 30 10 CJEE Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c(F)cc1Cl 2234748530 KGECHIFPWXYOCN-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=CCCCCCCCN[C@H](C)c1cccc(CC)n1 2235527707 XXVUIYNAJGVJJR-MRXNPFEDSA-N 274.452 4.821 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccnc2ccccc12 2235824755 QTQKBAPONBQONN-GOSISDBHSA-N 270.420 4.769 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2ccc(Cl)c(OC)c2)cc1 2235851836 JFPCBIYYKWDMRL-LBPRGKRZSA-N 285.774 4.503 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(O)C2(C#N)CCCCCC2)c1 2237905180 OZAXJKWYAQCLBW-MRXNPFEDSA-N 291.822 4.720 30 10 CJEE CCCCCCCCCCCOc1cc(C)cc(=N)[nH]1 2239511636 WWZAXEBSHJSWBL-UHFFFAOYSA-N 278.440 4.712 30 10 CJEE C=C[C@H](CCCCC)OCCC[C@@H](O)c1ccccc1 2239578121 KLJFVYGMFDMMSP-QZTJIDSGSA-N 276.420 4.652 30 10 CJEE C=CCC[C@H](C)Oc1ccc(Cl)cc1CN[C@H](C)CC 2240238547 GRCGCRPEDYWRDG-KGLIPLIRSA-N 295.854 4.962 30 10 CJEE CCCCCCC[C@@](C)(O)CC12CCC(OC)(CC1)C2 2240263710 YNOXYUNKNCDSFQ-WWDZGPRUSA-N 282.468 4.837 30 10 CJEE CCCC[C@@H](CC)COCC1(CS)CC(C)C1 2246833258 MUZGYMUPIQANSF-SHARSMKWSA-N 258.471 4.566 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2247238657 IVIUKBNOYIQTKZ-XHDPSFHLSA-N 296.252 4.785 30 10 CJEE C=CCCCSc1ccc([C@H](C)NC)c(Cl)c1 2250064780 GQFDIFZWCVWIRA-NSHDSACASA-N 269.841 4.679 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(C)cc1Br 2250159705 SIPGQSHZKDVHCQ-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(C)cs1 2250184898 GZUBXUWRYWWLKR-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE Fc1cccc(Cl)c1OCCCCCCCS 2252621943 YPGHKPFHJHEAFR-UHFFFAOYSA-N 276.804 4.738 30 10 CJEE CCCCCCC[C@@]1(CO)CC(F)(F)C12CCC2 2254902921 YMHLWCOKALKXEK-ZDUSSCGKSA-N 260.368 4.535 30 10 CJEE C=CCCC[C@H](CCCCC[C@@H]1C[C@H]1C)NCC 2257259216 ZSUQYYSEZSPEMM-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCN(C)C1CC(CC(C)(C)C)C1 2259164304 PFDHFRHXAYRHIL-UHFFFAOYSA-N 251.458 4.879 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C#N)CCCOC2(C)C)C1 2265036381 DXFJVTQJSKJYIV-BFYDXBDKSA-N 263.425 4.692 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(CCC)cc1 2268242032 JVLBSAIJDDAMAQ-GOSISDBHSA-N 260.421 4.967 30 10 CJEE CC(C)CNCCC(C)(C)CC=CC#CC(C)(C)C 2268735917 POHWASFZTPMBIL-UHFFFAOYSA-N 263.469 4.644 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CCC1CCC1 2268820704 CCVZRDJSWWKUDA-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=C1CCC(COc2cccc3c2CCCC3)CC1 2269688185 LLXWNZLPHZOKGM-UHFFFAOYSA-N 256.389 4.691 30 10 CJEE C=CCCCSC[C@H](NCC)c1ccc(C)cc1C 2271497384 HLTOLGXINUJLAT-KRWDZBQOSA-N 277.477 4.653 30 10 CJEE C=C(C(C)(C)C)[C@](CC)(CCCCC)OCCCN 2276553886 XOJQEQPCSYWPSK-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC[C@@H]1C 2276604722 GISMPODLYCCGJU-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE O=C(CC#Cc1ccccc1Cl)c1ccc(Cl)cc1 2277844055 CXXJZAKXOBWPQY-UHFFFAOYSA-N 289.161 4.618 30 10 CJEE CCCC[C@@H](CC)CSCC[C@](C)(C#N)NC(C)C 2278260758 MAVBHKCLLAKFLJ-HZPDHXFCSA-N 284.513 4.606 30 10 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252.442 4.924 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC1(F)CCC1)NCC 2321098290 IPWNVXUYGWUYPB-GJZGRUSLSA-N 255.421 4.629 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)C(=C)[Si](C)(C)C 2321128816 WMQTZRATWSNKCN-HOTGVXAUSA-N 267.533 4.781 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC[C@H]1CCC(C)(C)C1 2321605674 NZPRJZYYKIHSIK-ZOBUZTSGSA-N 251.458 4.913 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330175584 VFNJNJGZJLVUKY-YJNKXOJESA-N 273.411 4.616 30 10 CJEE Cc1ccc(C(=NOCc2ccccc2Cl)C2CC2)cc1 2330296552 NHZXMIFQTOUAFF-UHFFFAOYSA-N 299.801 4.979 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCC2)CC[C@@H]1NCC 2335096716 PWHYNPUYGLYXRY-HRCADAONSA-N 281.509 4.775 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1c(F)ccc(C)c1Cl 2337103493 JNDVOONYGJWXRR-IUODEOHRSA-N 281.802 4.622 30 10 CJEE N#C[C@@H]1CCCC[C@H]1Nc1cc(C2CC2)ccc1Cl 2338126892 VSSLOSOAGLRGRL-DZGCQCFKSA-N 274.795 4.712 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc2c(s1)CCSC2 2338739336 VDKZJAMJDCVHOH-MRXNPFEDSA-N 293.501 4.566 30 10 CJEE C[C@H](CC(C)(C)C#N)OC[C@@H]1C[C@H]2CCC[C@H]1CC2 2338916802 YGGUFLZLNARDTE-UGUYLWEFSA-N 263.425 4.548 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2339074274 SXWGYEZUXBPLLV-XQLPTFJDSA-N 267.363 4.922 30 10 CJEE C=CCCCCCN[C@H]1CCc2ccc(C)c(C)c21 2339622123 OJQDGXNDGORDOP-KRWDZBQOSA-N 257.421 4.627 30 10 CJEE C=C[C@H](C)C[C@H](CCCCC(F)(F)C(F)(F)F)NC 2342336898 CXEYDTJDPWNHNW-QWRGUYRKSA-N 287.316 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)cccc1OC 2344349368 SGHWNUOWLCJZOL-CVEARBPZSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NC 2344358373 UZMLGIMJFAQLMP-QBPKDAKJSA-N 261.453 4.559 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1csc(COC)c1 2344379803 JNFYAWRUHHJPLS-HNNXBMFYSA-N 281.465 4.538 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1c(F)cccc1Cl)NC 2344386072 UHZVVLNXUOTVJT-CVEARBPZSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1nc(C(C)(C)C)cs1 2344421269 QSIOZFSYKMGIJB-INIZCTEOSA-N 279.449 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1cccc(C(F)F)c1 2344475255 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292.467 4.567 30 10 CJEE CCCCCCCCCN(C)[C@@]1(CN)CCC[C@H](C)C1 110464577 MALMESSIVACICR-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCCC(=O)NCCCCC#N 112723888 YBRDTZZFYAFNGZ-UHFFFAOYSA-N 280.456 4.717 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cnn(C)c1 115688972 ZUMYNVICHCKSJV-QGZVFWFLSA-N 279.472 4.731 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1COc2ccccc2C1 115845244 UMNLEUXUCZDERY-MSOLQXFVSA-N 289.463 4.706 30 10 CJEE C=CCn1c(C2CCCC2)nc(C2CCC(C)CC2)c1N 116321061 SFVIHTKPXMXDFD-UHFFFAOYSA-N 287.451 4.603 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCCC)[C@@]1(C)CC 117339990 RGQNMUGOERBTRL-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)N(CC)CC 118141652 MZZPOQMZWNKSCO-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCn1ccc([C@H](CC)NCC)c1 118242968 ZWGYVAHGLTUAQJ-KRWDZBQOSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H]2C=C[C@H]1C2 124743680 NSUFUPTZOYDJGO-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE CCCCCCCOc1nc(C(C)C)nc(NCC)c1C 125317241 ZJRWRMMIYFFEAJ-UHFFFAOYSA-N 293.455 4.689 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc2c(s1)CCCCC2 125760144 PHECWFPUHOUGTB-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCC/C=C/CCNCCOC 127706305 WPVCVMZFFNSAFH-OUKQBFOZSA-N 269.473 4.700 30 10 CJEE CCCCCCCCCCNc1ccc([N+](=O)[O-])nc1 129424931 JIYBDQNDVSBOSS-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE CC#CC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 130880250 QTEPFBLTAAOASD-OSVATCMCSA-N 287.491 4.765 30 10 CJEE CCCCCCCCCOC(=O)c1ccccc1F 136418433 YSBHYZBLJBPVIV-UHFFFAOYSA-N 266.356 4.733 30 10 CJEE CCOc1ccc(Oc2cccc(SCC)c2C#N)cc1 136702978 HUKVMOZLAHXWPM-UHFFFAOYSA-N 299.395 4.861 30 10 CJEE C=C(CC)CC(=O)c1cccc(OCc2ccccc2)c1 137335034 NURRPCOMXUSFPI-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CCCCCCCC[C@H](N)c1ccnc2ccccc12 140411969 MIYIWLQGPDUVHE-KRWDZBQOSA-N 270.420 4.985 30 10 CJEE CCCCCCCCCCN1CC[C@@]2(O)CCCC[C@@H]2C1 160791346 QNZNPOKIHNXVEP-MOPGFXCFSA-N 295.511 4.754 30 10 CJEE CCCCCCCCNc1c(C)cccc1[N+](=O)[O-] 161069543 QTYMQAZIPDADSS-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE CC(C)(C)c1ccc([C@H](O)C2(C#N)CCCCC2)s1 166301471 HFEBXNYKFXSOQL-AWEZNQCLSA-N 277.433 4.553 30 10 CJEE CC[C@H](NCc1ccccc1C(C)(C)C#N)c1cccs1 184102109 YMKBOFCRYKOIAM-INIZCTEOSA-N 298.455 4.790 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218322105 ZJZNXTLIRCYJDM-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C1 226200220 VBRUVFZFJYKCMB-COPLHBTASA-N 296.336 4.814 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 228821782 SVDDMWVEVZPQQO-RYUDHWBXSA-N 271.326 4.711 30 10 CJEE CC(C)(C#N)c1nc(-c2ccccc2C(F)(F)F)cs1 231790512 UCMBUBFXXLOOEW-UHFFFAOYSA-N 296.317 4.630 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1cccc(F)c1 232972881 CMRQKIGTSFGDLA-KRWDZBQOSA-N 281.415 4.739 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(Br)c1 234460627 CGMAGVWUEFMJCE-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C=CCCCCC[C@H](N)Cc1ccc(Cl)cc1Cl 236301554 FZWGRAWETNUMEY-AWEZNQCLSA-N 286.246 5.000 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@H](C#N)c1ccc(C(C)(C)C)cc1 252127930 KISKUXGAKDEGLM-ZTFGCOKTSA-N 284.447 4.717 30 10 CJEE CCCCCCCCCN1CCCCC[C@@H]1C[C@H](C)O 253089511 GVJIAVMIVRDFGR-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE CCc1ccc([C@H](C)CC=O)cc1-c1ccccc1 258656002 OBXPVNXONJAKQA-CQSZACIVSA-N 252.357 4.609 30 10 CJEE CC(C)n1cc(CCC#N)c2ccc(C(F)(F)F)cc21 260147653 VFLWAKPMWVCQJQ-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE C=C(C)COc1cc(SC(C)C)ccc1C(=O)CC 261037145 KZYWYQZFEXNZHP-UHFFFAOYSA-N 278.417 4.735 30 10 CJEE CCCCCCCCOc1ccc(Cl)c(N)c1 310347265 OIMGLMBPBGALRS-UHFFFAOYSA-N 255.789 4.662 30 10 CJEE Cc1cc(S[C@H]2CCCC[C@@H]2C#N)nc2ccccc12 312305333 OMBLWVZGLLZNDY-CJNGLKHVSA-N 282.412 4.718 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(N(C)C)cc1 312371214 CMWRAGJRSZEERQ-MRXNPFEDSA-N 274.452 4.540 30 10 CJEE O=CC1(Cc2ccc(Cl)c(F)c2)CCCCCC1 316461418 PQBQMQADUSNAQK-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)cc1F 381736054 NRPHAZOJMHFSLR-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CS1 386071346 CUHNCZAHYHSCSA-ZFWWWQNUSA-N 282.497 4.597 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1ccc(Cl)c(F)c1 387422004 GGCSMJXYXJZRPO-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE C=CCC(C)(C)CNCc1[nH]c2ccccc2c1Cl 389050400 PPHIVJZHBMYTAI-UHFFFAOYSA-N 276.811 4.513 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2csc(Cl)c2)C1 393477791 IGSGXZPPUCHPJK-GXFFZTMASA-N 253.798 4.664 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cc(C)cc(Cl)c2)c1 395182036 FYXQNMGCDHSRDC-INIZCTEOSA-N 270.763 4.634 30 10 CJEE CCCCCCCCCC[C@H](N)CCOC(C)C 395409707 MTKFQCDJKZOWME-INIZCTEOSA-N 257.462 4.660 30 10 CJEE CCC[C@H](NC[C@H](C#N)C1CCCCC1)c1cccs1 397196766 NRCGMOHPAHVQLN-HOTGVXAUSA-N 290.476 4.899 30 10 CJEE N#C[C@H](CNc1cccc(Cl)c1Cl)C1CCCC1 397330024 CGKVZSAKPYBNEP-LLVKDONJSA-N 283.202 4.735 30 10 CJEE Cc1ccc(C2=CC(=O)CCCC2)c2ccccc12 400132029 RGBPHDAJOYTLKY-UHFFFAOYSA-N 250.341 4.675 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)CC(F)(F)F)NN 402529375 TWKWSARLJWWFCL-KBPBESRZSA-N 296.421 4.938 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1SC(C)C 466438069 IERUHOHWJMMZGO-ZDUSSCGKSA-N 277.433 4.728 30 10 CJEE C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 485704415 KKZWDZMYOTUZQZ-XQQFMLRXSA-N 274.433 4.548 30 10 CJEE Cc1ccc(N[C@H](C)c2ccc(C#N)cc2F)c(Cl)c1 512281231 JTSSEFTXWITUDT-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@@H]1C 686485987 IJSDTSKSKVKCOJ-HZMVEIRTSA-N 269.473 4.529 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(F)c(F)c1 686698550 ZWSZTDGABRQARB-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE Cc1csc(CC2(C#N)CC(C)(C)CC(C)(C)C2)n1 688307248 DDKAVLTXCFKHQF-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE C#C[C@H](Nc1ccc(SC(F)F)cc1)c1ccccc1 690212831 LHVNIIZUVLGZRC-HNNXBMFYSA-N 289.350 4.788 30 10 CJEE N#Cc1ccc(Nc2cccc(F)c2Cl)cc1Cl 690288035 BMBAMYLONCGHOF-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CN([C@H]1CCC12CCCCC2)[C@@H]1CCCCC[C@@H]1C#N 694287360 SKXVMQPEWMBAMR-ZACQAIPSSA-N 274.452 4.504 30 10 CJEE C=C[C@](C)(CCCOC1CCCCC1)CNCC(C)C 699801990 WXKQBFOCKVDGTD-GOSISDBHSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCC[C@@H](O)CCCNC(C)C 702270508 CIAAXUMSJGPHFD-QGZVFWFLSA-N 271.489 4.656 30 10 CJEE CCc1ccc(NC[C@H](C#N)C2CCCC2)cc1Cl 709242847 QKRVVNPYVPGKGI-AWEZNQCLSA-N 276.811 4.644 30 10 CJEE C=C(Cl)C[C@H](NCCC)C(C)(C)c1ccc(F)cc1 710480408 RSQACZPUQWBSFQ-HNNXBMFYSA-N 283.818 4.614 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC(C)(C)CO2)C1 714103320 WJUKXLIQPBHQNR-VYDXJSESSA-N 263.425 4.692 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 715718242 FWWQAYXEBTUAOA-RNCFNFMXSA-N 291.744 4.832 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)C[C@H](C)CO1 718477714 DZELEBKEGCFCMU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@@H](CCC(C)(F)F)NCCC)CC1 724607491 NWUHEWZSSYNXAX-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=C1CCC(C[C@@]2(CNCC(C)C)CCCS2)CC1 724618161 UMKJMFKLRUOMLN-QGZVFWFLSA-N 281.509 4.634 30 10 CJEE FC(F)(F)Oc1ccc(C#Cc2ccc(Cl)cc2)cc1 725422863 IBXZWNHRJPKXCX-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE CCCCCCCCCCC(=O)N1CCC(C)(C#N)CC1 780779605 OWDCYOMFVXOFMZ-UHFFFAOYSA-N 292.467 4.669 30 10 CJEE C#CCn1ccc2c(-c3ccc(C(C)(C)C)cc3)nccc21 821291881 ZKHFQYUFUAEJQI-UHFFFAOYSA-N 288.394 4.634 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1ccccc1C(F)(F)CC 880778273 AQBJBDRYHDEYAR-UHFFFAOYSA-N 296.361 4.618 30 10 CJEE CC(=O)c1ccc(N=Cc2ccc3ccccc3c2)cc1 1083933249 CEUDUVXTOSGFDY-UHFFFAOYSA-N 273.335 4.793 30 10 CJEE C=CCCCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 1127320114 FNIDPAVKTXRWCK-MRXNPFEDSA-N 282.330 4.561 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](C)c1cccc(OC(C)C)c1 1128122093 XUUIJXAFBWAGAX-HUUCEWRRSA-N 290.403 4.680 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@]1(C)CC(C)C)c1ccccc1 1129200943 BFKKAZOPMBTRMK-XLIONFOSSA-N 299.458 4.774 30 10 CJEE C=CCCC1(CNCc2cc(O)cc(Cl)c2)CCCC1 1179142294 DTLDWMAZOBTKKS-UHFFFAOYSA-N 293.838 4.662 30 10 CJEE C=CCC1(N[C@@H]2CC[C@](C)(c3ccccc3)C2)CCCC1 1182902438 MLBCKDGQVQHEII-MOPGFXCFSA-N 283.459 4.975 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1ccc(C(C)(C)CC)cc1 1204678391 KHVSNVLEFLEYTB-MRXNPFEDSA-N 286.419 4.557 30 10 CJEE C=CCC[C@H](CC)N[C@@H](C)Cc1ccccc1C(F)(F)F 1204960594 DHHUQTBYBPWVPE-ZFWWWQNUSA-N 299.380 4.971 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cc(F)c(OC(C)C)c(F)c2)C1 1205391799 SZJBLPMZZOPYHI-QWHCGFSZSA-N 295.373 4.909 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCC[C@H]1C(C)(C)C 1206247246 HPHYFLZTYAZXEJ-XHSDSOJGSA-N 251.458 4.926 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 1264286038 XNSNPOJIZIIBEW-BRWVUGGUSA-N 289.463 4.598 30 10 CJEE C=CCCCC(=O)Nc1ccc(-c2ccccc2)cc1C 1264471289 QHENSFUXKLFTBU-UHFFFAOYSA-N 279.383 4.957 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](CCC)CC(C)C)c(Cl)c1 1289443028 GTAQEJKYRQUNJH-CQSZACIVSA-N 291.822 4.722 30 10 CJEE C=C(CC)CN1CCC(C)(c2cccc(Cl)c2)CC1 1307717848 OSSDMESTOFGNHI-UHFFFAOYSA-N 277.839 4.660 30 10 CJEE CCCC1CCC(N(Cc2cccc(C#N)n2)C(C)C)CC1 1308590208 DTJMDHILIGIDIM-UHFFFAOYSA-N 299.462 4.523 30 10 CJEE C=CC1(CC(=O)N(CC)Cc2cccs2)CCCCC1 1349819570 MXWMXOSJGSLCGN-UHFFFAOYSA-N 291.460 4.623 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](C)c1ccc(Cl)s1 1357708283 WQPINDATJATLIR-UWVGGRQHSA-N 272.797 4.608 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)c(Cl)c1 1435385776 NPPUZAXFGKIQMW-AWEZNQCLSA-N 283.824 4.603 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)[C@H]2C=CCCC2)c1 1459802119 SJKZAVXYQGAGDR-FQEVSTJZSA-N 287.406 4.783 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc3cc[nH]c3c2)CCCCC1 1459837087 VDSIOGQOWXMSDG-UHFFFAOYSA-N 296.414 4.657 30 10 CJEE C=CCCCN1CCCC[C@@H]1c1ccc(Cl)cc1 1460100898 YAXUBWOBOVCKEX-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=CCCCCCCCNC(=O)[C@H]1[C@@H](c2ccccc2)[C@H]1C 1460675311 LXGRIALFPUIGEE-BHIYHBOVSA-N 299.458 4.679 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 1461543442 UILSVAQHYXIIHU-GOSISDBHSA-N 296.366 4.558 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)c(C)c2)C1 1462414817 QWWOJDWBEGMYRX-AWEZNQCLSA-N 297.364 4.802 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@@H](OC)c2ccccc2)c(Cl)c1 1462631415 VUCYRSNXTRYYGS-SCLBCKFNSA-N 299.801 4.509 30 10 CJEE CCCCCCCCCNCc1ccc(F)c(C)c1 1473916056 ODQYKBRJCGSYCA-UHFFFAOYSA-N 265.416 4.974 30 10 CJEE C=CCC1(NCc2cccc(C3CCCC3)c2)CCOCC1 1474203121 IWGDHHRZCZGFHL-UHFFFAOYSA-N 299.458 4.559 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cc(C)cc(Cl)n1 1474469076 OZJIJFSTLSDDBG-CQSZACIVSA-N 280.843 4.658 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)c(CC)c2)CCCCC1 1525503464 GWPZKZWLZCRRTR-UHFFFAOYSA-N 289.394 4.853 30 10 CJEE C=C[C@H](OC(=O)[C@H](CCCC)C(C)C)c1ccccc1 1532387957 RAASTTPABDLHQI-SJORKVTESA-N 274.404 4.919 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 1538139656 RZFUTWHYFPZVNQ-QOKNQOGYSA-N 283.415 4.570 30 10 CJEE C=CCCCCN(CCOCC)c1ccc(Cl)cc1 1559909804 LXGPVCDLMCXSPF-UHFFFAOYSA-N 281.827 4.539 30 10 CJEE C#CCCCCCCN[C@H]1c2ccccc2CCC[C@@H]1C 1560735103 RHHRRRDVLMUTGN-FXAWDEMLSA-N 283.459 4.873 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@H]1c1ccccc1 1560853017 QYWVTKWQGPZMRP-DLBZAZTESA-N 257.421 4.515 30 10 CJEE Cc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1C 1614730608 FPAXQXXTFGOKIK-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C#CCCCCCCN[C@@H]1CCCc2ccc(C)cc21 1621349637 NHARODDIOAHBQG-LJQANCHMSA-N 269.432 4.546 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(C(C)(C)CC)cc2)C1 1643559663 MACZIWSKJODFNL-QGZVFWFLSA-N 283.459 4.610 30 10 CJEE C=CCC1(NCc2ccc(N(C)CC)cc2)CCCCC1 1644164366 VAPOIYDEFJTCAE-UHFFFAOYSA-N 286.463 4.511 30 10 CJEE C#Cc1cccc(N(C)Cc2c(C)c(C)c(C)c(C)c2C)c1 1644549633 LKZUDXNDNBQOGK-UHFFFAOYSA-N 291.438 4.846 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@@H](SCC)C1 1652579152 TVDPEQSSCKRDHR-HZPDHXFCSA-N 271.514 4.953 30 10 CJEE C#C[C@H](NCC1CCC(C)(C)CC1)c1ccc(Cl)cc1 1652580990 ZVIOTOWQIMARAS-KRWDZBQOSA-N 289.850 4.820 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 1652683780 AQQWLMBRJAMMSD-KXBFYZLASA-N 282.431 4.660 30 10 CJEE C=CCCCCN1CCCCc2c(Cl)cccc21 1653226891 YOSXKAMVAILJGX-UHFFFAOYSA-N 263.812 4.839 30 10 CJEE C=CC[C@H]1N(Cc2cc(F)cc(F)c2)CCCC1(C)C 1653459532 DOAZZWSKZWAFNP-MRXNPFEDSA-N 279.374 4.532 30 10 CJEE C=CCC[C@H](NC/C=C\c1ccccc1)c1ccccc1 1655956658 IKBYKYFJMZNLAJ-IMTHGLKYSA-N 277.411 4.997 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCCc2sccc21 1657662461 HMKAZUHRLXSCKA-UKRRQHHQSA-N 263.450 4.850 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCC[C@H](C2CCOCC2)C1 1658545553 VRPRJNRCWZSISE-ZWKOTPCHSA-N 293.495 4.554 30 10 CJEE 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2281472494 VQBHSADHQDEPIR-HNNXBMFYSA-N 289.806 4.699 30 10 CJEE C[C@H]1C[C@@H]1CCCCCN(CCC#N)CC1CCCC1 2284912281 GWRYYRMDGDPTDY-WMZOPIPTSA-N 276.468 4.609 30 10 CJEE C#C[C@H](Nc1cccc(C(C)(C)C)c1)c1ccccc1 2285718252 ZUSUPYKGOCUACC-SFHVURJKSA-N 263.384 4.771 30 10 CJEE C=C(C)CCCC[C@@H]1CC[C@@H](COC)[C@@H](NCCC)C1 2287466766 JGAZVEVARDIAEP-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=CC[C@@H](CC[C@H](C)CCCC(C)C)CNCCOC 2287919592 XZAPRWLYJGQMAB-MSOLQXFVSA-N 283.500 4.657 30 10 CJEE CSC1(C#N)CCN(CC[C@H](C)CCCC(C)C)CC1 2287967790 UQAGKKHKWMOIFP-MRXNPFEDSA-N 296.524 4.560 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(CC(C)C)CC1 2289705692 NLYILDZCARJBPT-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(F)ccc1Cl 2289882193 OGHBAXYXCYXGMX-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)[C@@H](CC)C(C)C 2291468338 UQOGJSFQULGMHT-HOTGVXAUSA-N 284.440 4.665 30 10 CJEE C=C(CC)C[C@](CCC)(OCCC(=O)O)C1CCCC1 2292135209 MERIFUIDNSWUDS-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)C(C)C)OCC(=O)O 2292415664 YXHZTWWMKWHWQP-HZPDHXFCSA-N 286.456 4.889 30 10 CJEE C=C1CCC(C[C@H](OCCCN)c2sccc2C)CC1 2292908541 IZUFISCRFNLVSW-INIZCTEOSA-N 293.476 4.600 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@H](C)C1)OCCCN 2293117308 KEJAYHRBGFIAPF-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@](C)(OCCCN)C1CCC(C)CC1 2293134175 JJSGSJZYESUFSU-FPQWYMTMSA-N 281.484 4.539 30 10 CJEE CC(C)c1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2293335963 BHCACZQHYFKUEH-UHFFFAOYSA-N 295.338 4.614 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC(C)(C)C[C@H]1C 2293407860 MBMKZHCVFLWWCC-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C 2293503867 FTBVFKHLQCUVOM-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC(C)(C)C1(C)C 2293650898 DOTNLYTXXCLWQL-SFHVURJKSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H]2CCCC[C@H]21 2293669464 IKBHXSATEVWHEA-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1COCCC1(F)F 2295688296 DGFZVHUXXYKLGK-CABCVRRESA-N 291.426 4.529 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CC[C@](C#N)(NC2CC2)C1 2295766624 OZUCSBUOEIKOIA-XIRDDKMYSA-N 294.508 4.503 30 10 CJEE CCCCCCCCN(C)c1nc([C@H](N)C(C)C)cs1 2296156633 WBJLLXZNXWOAFU-OAHLLOKOSA-N 297.512 4.596 30 10 CJEE C=CCC(CC=C)C(=O)c1c(C)cccc1Br 2301019283 KSLLBWJQQBCELQ-UHFFFAOYSA-N 293.204 4.709 30 10 CJEE C=CCCCCNCc1ccc(Cl)c(Cl)c1C 2301114866 ITHVVNWFKQMXOC-UHFFFAOYSA-N 272.219 4.748 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)cc1Cl 2304041354 NEYOTHWIHSAZTL-ZIAGYGMSSA-N 272.219 4.986 30 10 CJEE C=CC1(C[C@@H](O)c2c(F)ccc(C)c2Cl)CCC1 2313860335 YGKJCRPGMGCSPK-GFCCVEGCSA-N 268.759 4.567 30 10 CJEE C=C(C)CC[C@@H](C)NCc1c(F)ccc(C)c1Cl 2314020162 DKLZFRKYIKNAAW-GFCCVEGCSA-N 269.791 4.622 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)c(Cl)c(C)c1 2321106264 XJRONYVSSVPDAU-MEDUHNTESA-N 265.828 4.820 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(C)c1Cl 2321109466 YTKOYVWRBBZWHZ-CVEARBPZSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC[C@H]1C[C@@H]1C)NC 2321112619 HLUKRGMLIXKPLM-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CCCCC(C)(F)F)NCCC 2321127444 JVXAZJFUVFZOLG-KGLIPLIRSA-N 261.400 4.782 30 10 CJEE CC1(C)CCC[C@@]1(C#N)CCC1(C(F)(F)F)CC1 2321548956 XVOXICGJEMSELJ-ZDUSSCGKSA-N 259.315 4.829 30 10 CJEE CC1(C)CC(CS)(COc2ccc(F)cc2Cl)C1 2321721893 CGHYXPVQDJSSRZ-UHFFFAOYSA-N 288.815 4.594 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329794099 FESLYMMPWKQHJO-YUELXQCFSA-N 268.347 4.518 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2C[C@@H]3CC[C@H]2C3)CCC1 2334310586 ZUYYUGCRCIBWHH-YYIAUSFCSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@H](NCCC)CC(C)(C)C1(C)C 2335195419 WVYZVBROBURXJI-ZNMIVQPWSA-N 283.525 4.877 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1ccc2ccccc2c1 2337112686 FETWSSVQEZLRMP-YJBOKZPZSA-N 251.373 4.997 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc(C(F)(F)F)cs1 2337166247 ITQUSQDZIHCAOF-GWCFXTLKSA-N 289.366 4.601 30 10 CJEE C=CCC[C@@H](C)[C@](C)(CCCC(C)C)OCCCN 2337644000 SVLCYZVJDNXMEU-SJORKVTESA-N 269.473 4.539 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338992091 MLLREOGORRCJAS-XSLAGTTESA-N 263.469 4.785 30 10 CJEE CCCCCCC[C@H](C#C[C@H]1CC1(C)C)NCCC 2339565660 ICBUCBKOIIDSEN-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=C(CC)C[C@@H](O)[C@@H](c1ccccc1)C1CCCC1 2342360375 LVXLTQQVALYHQW-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE CCCC#CC[C@H](NCC)c1ccc(C)cc1SC 2342396734 GUXCZGZJNVWVEL-INIZCTEOSA-N 275.461 4.561 30 10 CJEE C=CCCCNC[C@@H](c1ccccc1)C1CCCC1 2342486215 SQJRGDWFERKGOP-SFHVURJKSA-N 257.421 4.516 30 10 CJEE CC#CCCCC[C@H](N)c1cccc(C2CCC2)c1 2343780501 FYSLLRXBLVIHGF-SFHVURJKSA-N 255.405 4.538 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccccc1CSC 2344343895 GGJKTQYWQBYTRM-MRXNPFEDSA-N 277.477 4.803 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(OC)ccc(Cl)c1F 2344371636 LTIFGXYJGREQBW-OAHLLOKOSA-N 284.758 4.663 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1[C@@H]2CCO[C@@H]21 2355579751 RWJWNAIHKRRGIH-MHORFTMASA-N 281.484 4.530 30 10 CJEE C#CC[C@@H](CC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C1CC1 2357478917 AYPCWJPOMIRLFN-XSLAGTTESA-N 272.432 4.602 30 10 CJEE C=CCC(CC=C)Sc1ccc(C)nc1CNC(C)C 2360381358 KKUJZYIKWHECSV-UHFFFAOYSA-N 290.476 4.501 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 36926911 FOBNSMLHBLJWGP-WDMOLILDSA-N 296.336 4.814 30 10 CJEE C=CCOc1ccccc1CNc1ccc(SC)cc1 37197560 ZZKUANNTHVKLBB-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE CCCCc1ccc(NCc2cc(C#N)ccc2F)cc1 37287197 DPJBGWDWMROREH-UHFFFAOYSA-N 282.362 4.652 30 10 CJEE CCCN[C@H](CC)c1ccc(-c2cccc(C#N)c2)cc1 38070590 UPKNJTWVRMKBCK-LJQANCHMSA-N 278.399 4.676 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)CCC2CCCCC2)cc1 55333093 AXCSYCCNIOECGD-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2ccccc2F)c1C 57686616 LBEOSUASFRVMDL-HNNXBMFYSA-N 283.346 4.519 30 10 CJEE C[C@@](C#N)(CCOc1cccc(Cl)c1)c1ccccc1 57687652 HJMSGDWLIOFHFD-KRWDZBQOSA-N 285.774 4.590 30 10 CJEE CCCCCCCCCOc1c(CO)cccc1OCC 59106855 SIJRKBUQNHGVMB-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1 59518225 MITCQEPXUWQQJN-RCCKNPSSSA-N 285.346 4.668 30 10 CJEE CC(C)(C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 75934362 NBQSVHWFSXOCAR-UHFFFAOYSA-N 281.199 4.525 30 10 CJEE Cc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1Cl 77083279 VDHIVITUGLYQJJ-UHFFFAOYSA-N 257.720 4.658 30 10 CJEE COc1ccc(N[C@@]2(C#N)CCC[C@H](C(C)C)CC2)cc1 86949154 GGAGUKVSCORGPA-YJBOKZPZSA-N 286.419 4.606 30 10 CJEE C[C@@H]1CCC[C@@H](CNc2ccc(C(C)(C)C#N)cc2)C1 89605863 VNOVPAHQWRMKJT-HUUCEWRRSA-N 270.420 4.726 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCCCC1 91880662 RVLZTQMIRQCVHR-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSC1CCCCC1 93580906 ADXDQYZQCQXOOP-NVXWUHKLSA-N 294.508 4.503 30 10 CJEE CCCc1ccc(OC[C@@H](CS)C(C)(C)C)cc1 94585118 HZJZWAKIYJXYJC-AWEZNQCLSA-N 266.450 4.610 30 10 CJEE CC[C@H]1CCC[C@@H](OCC2(CS)CCCCC2)C1 94585860 PYDPMQRNYSXEGS-LSDHHAIUSA-N 270.482 4.852 30 10 CJEE CO[C@H]1CCC[C@@H](OCCCCCCCCCS)C1 97799802 ZCTPWCWQLPHJLQ-JKSUJKDBSA-N 288.497 4.621 30 10 CJEE Cc1ccc(Oc2ccc(C#N)cc2Cl)c(Cl)c1 104170055 PPIKCEHJTUYBON-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(F)ccc1OCCC 107681996 BRVUBPMKCOZXFH-KGLIPLIRSA-N 262.368 4.768 30 10 CJEE CCCCCCC[C@H](C)NCc1cccc(COC)c1 109919297 XHBBCTRRTJJOEZ-INIZCTEOSA-N 277.452 4.672 30 10 CJEE CCCCCCCO[C@@H]1CCc2ccccc2[C@H]1NCC 110081420 QYSAHERVLGEAIN-RTBURBONSA-N 289.463 4.639 30 10 CJEE Cc1cc(Br)c2oc(C#N)c(C(C)(C)C)c2c1 110162076 AAVSNUKLTZIREG-UHFFFAOYSA-N 292.176 4.673 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@@H](CN)CC(C)C 115863127 GFMAZQUPARYECN-QZTJIDSGSA-N 285.516 4.889 30 10 CJEE CCCCCCCCCCN(C)C1CCC(=O)CC1 118257806 UUURCJVEZBQCDS-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@H](NN)C1CCC(F)(F)CC1 122240186 NERUJDATWYROEY-HNNXBMFYSA-N 290.442 4.785 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C)c(C)c1 122361226 OYOUMDYSXPKMSQ-QGZVFWFLSA-N 262.441 4.558 30 10 CJEE CCCCCCCC[C@H](NN)c1c(C)cc(C)cc1C 122395415 RXEJDGQLKVMXRV-KRWDZBQOSA-N 276.468 4.867 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(F)ccc2Cl)C1 126019132 DHGJMOYKLQDUGO-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)NCc2ccccc2)CC1 130051931 GWHTWQAVBVAFSG-ABHNRTSZSA-N 284.447 4.521 30 10 CJEE C=CCCCNC(=O)N(c1ccccc1)c1ccccc1 148469690 ZUSFYALRUOPSHF-UHFFFAOYSA-N 280.371 4.501 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](OC)C(C)(C)C 158206032 PZUJVTUNDIHCTA-LSDHHAIUSA-N 258.446 4.549 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@@H](C2CC2)C1 160816487 YEALFFIPRJCOBZ-SJORKVTESA-N 251.458 4.905 30 10 CJEE CCCCCCCCNc1ccc(C(N)=S)cc1Cl 161001134 DHBGMUNIYGIKHB-UHFFFAOYSA-N 298.883 4.747 30 10 CJEE C=CC[C@@H](C)N[C@H](c1ccccc1)C1CCCCC1 162645465 XBPBIFWQLOCHBJ-CRAIPNDOSA-N 257.421 4.862 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(F)cc1Cl)NCCC 164574932 TYVOTGFGKPIRIC-HNNXBMFYSA-N 283.818 4.746 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 164938132 POOGOVOVCTYMMI-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1OCC[C@@H]1C 165078327 XSGNLGZZBSTWKY-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE CCCCCCCOCc1ccccc1CCNCCC 167941595 LIXVPHAVXXVTEV-UHFFFAOYSA-N 291.479 4.716 30 10 CJEE CCCCCCC[C@H](Cc1ccn([C@@H](C)CC)n1)NCC 168504010 LGUAPUYJCQUAIV-DLBZAZTESA-N 293.499 4.735 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C(C)C)cc1 215027560 NKRJUYOEJXPDGL-RTBURBONSA-N 287.447 4.556 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2ccccc2Cl)C1 218234752 NVRJDFWFICVWCQ-XOKHGSTOSA-N 291.822 4.658 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](NC)c2cc(F)ccc2O1 229148069 GDHGNGMMZGMNHV-FUHWJXTLSA-N 293.426 4.988 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(OC(F)(F)F)cc1 229736115 WGTZTMRMHHTJEB-CQSZACIVSA-N 287.325 4.592 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc2c(c1)CCC2 233548308 WOTYFRMKHMAJEE-IBGZPJMESA-N 271.448 4.962 30 10 CJEE Cc1ccc(N[C@](C)(C#N)Cc2ccc(Cl)cc2)cc1 235886540 LCEWEQJPRCCLGF-KRWDZBQOSA-N 284.790 4.585 30 10 CJEE C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(C#N)cc1 252431379 IGWSAPXGPHZUHW-UDTPNQRGSA-N 282.431 4.568 30 10 CJEE CCC(=NO)c1ccccc1O[C@H]1CCC[C@@H](CC)C1 252464294 VXMRCHPBYVWZOS-KGLIPLIRSA-N 275.392 4.623 30 10 CJEE Cn1c2c(c3cc(C4CCCCC4)ccc31)CCCC2=NO 252617047 KKZNGDUKMQMGAC-UHFFFAOYSA-N 296.414 4.741 30 10 CJEE C[C@]12C=CC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 254405338 LYQLGOGKDQKQAX-MFBYZBQNSA-N 272.432 4.764 30 10 CJEE in-vitro COc1ccc(C2(C#N)CCCCC2)cc1C(C)C 260856320 ODFNSCWKJYJOMD-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE C=CCOc1cc(SCc2ccccc2)ccc1C(C)=O 261046832 MYBUCNKPHSPKHX-UHFFFAOYSA-N 298.407 4.746 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H](CCC)CC1 311226368 RCHKTGLEJRBMKW-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCC(CC)(c1ccccc1)c1nc(CCS)cs1 311454580 DDSWOJMZCRWOCF-UHFFFAOYSA-N 291.485 4.722 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)[C@H](C)c1ccc(Br)cc1 317151272 ORNXZQDAYGEQPZ-LALPHHSUSA-N 295.220 4.558 30 10 CJEE CC(C)CCCCCN(CCC#N)c1ccccc1 383273423 NUKZGDUSXLSUCC-UHFFFAOYSA-N 258.409 4.623 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC1CCC(C)CC1 385248788 PVSZCLAXPMXBNN-VMBOVVBDSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2ccccc2C)C1 394544930 VZLKOGJOUIAQFG-HLLBOEOZSA-N 256.393 4.516 30 10 CJEE N#CCc1c(C(F)F)cc(Cl)c2sccc12 396186546 GNKNAFXJXVWNRI-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCC[C@@H](NCc1c(C)nsc1C)c1ccccc1 583211563 BYCFFTHDWOTVBR-QGZVFWFLSA-N 286.444 4.557 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc2ccsc12 686686849 HCGACNKYOPNYPQ-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2ccccc21 692193082 QUEBPFJBHJMEDE-GXTWGEPZSA-N 272.417 4.632 30 10 CJEE C=C(Cl)CN[C@H](C)c1cc(Cl)cc(Cl)c1F 692391240 ZADOGLOYZOUXLC-SSDOTTSWSA-N 282.573 4.536 30 10 CJEE CC(C)(CC(=O)C1=CCCCCC1)CC(F)(F)F 694131349 MCNMKOYIUDBDMT-UHFFFAOYSA-N 262.315 4.815 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C#N)C1 694548096 FSOMECYCOUSZNF-KRWDZBQOSA-N 264.457 4.753 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 695153097 MCRKZGLKBKGEIC-SNVBAGLBSA-N 284.325 4.814 30 10 CJEE C=CCCSCCN[C@H](CC(C)C)c1ccccc1 696035611 WHHNJIPRIBCAOS-QGZVFWFLSA-N 277.477 4.673 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnc(Cl)n1C 696427477 ICPCOBIYECRWHZ-CQSZACIVSA-N 299.890 4.865 30 10 CJEE CCCCCCCOc1nc2ccccc2nc1Cl 696516942 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292.444 4.770 30 10 CJEE C=CCCCCN(C)[C@@H](C)c1cccc(Cl)c1 1307420945 NURDVPHLMMLTEM-ZDUSSCGKSA-N 251.801 4.689 30 10 CJEE C=CCOc1cccc(NC(=O)CCCC[C@@H](C)CC)c1 1434870226 LOGBWXXMPGTVLK-HNNXBMFYSA-N 289.419 4.796 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C(C)=C\C1CCC(C)CC1 1435672290 AVUIZQPTPMLTFD-PIBMHMGKSA-N 277.452 4.620 30 10 CJEE C=CCCC1(CNC(=O)c2coc3ccccc23)CCCC1 1437627981 NEZDYVVEJGQZSL-UHFFFAOYSA-N 297.398 4.689 30 10 CJEE C=CCN(CC1CCCCC1)[C@H](C)c1ccc(F)cc1 1459495434 ZSHCNXSCFHYOSJ-OAHLLOKOSA-N 275.411 4.955 30 10 CJEE C=C1CCC(C(=O)N(CCC)c2ccc(CC)cc2)CC1 1460189547 NVBRSNQKVLUQIT-UHFFFAOYSA-N 285.431 4.738 30 10 CJEE C=CC[C@@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)c1ccccc1 1460954873 NTTDRSFQEKISJC-SJLPKXTDSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](C)NC/C=C/c1cc(C)c(C)cc1C 1461392062 PQUWMNVOTLRPKS-CKDFRHGISA-N 271.448 4.959 30 10 CJEE C=CCOc1cccc(CN[C@@H](C2CCCC2)C2CCC2)c1 1461590111 MKJYQMWRWJHYIF-FQEVSTJZSA-N 299.458 4.700 30 10 CJEE C=CCCCN(CC)Cc1c(C)cc(C)c(COC)c1C 1462637923 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299.233 4.770 30 10 CJEE C=CCC(C)(C)Nc1nc(C(C)(C)C)nc(Cl)c1C 1913980280 UHWVKKBTRXBCGC-UHFFFAOYSA-N 281.831 4.503 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCC(C)(C)CC 1919427444 PVUIKZRKJJTFIW-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc2c1OCCC2 1919516099 SXSXOVWUFIJABC-GOSISDBHSA-N 275.436 4.546 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(F)ccc1F 1919897364 QWSPISYACGNMJQ-MRXNPFEDSA-N 270.363 4.923 30 10 CJEE CCCCCCCCCC[C@](C)(N)c1cnn(CC)c1 1920200016 NJZSBMDTCCADJE-KRWDZBQOSA-N 279.472 4.608 30 10 CJEE CCC[C@@H](C#N)[C@H](O)c1ccc(-c2ccccc2F)s1 1921074557 RIMJUBBTKYOZKU-ZBEGNZNMSA-N 289.375 4.527 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC1(C)CCC1)NCC 1921132782 RUGFQIJOWYUGJP-SJLPKXTDSA-N 283.500 4.656 30 10 CJEE C=C([C@@H](NCC)c1cccc2ccsc12)[Si](C)(C)C 1922875053 OUGOCQPWQJEXAC-OAHLLOKOSA-N 289.520 4.986 30 10 CJEE C=C([C@H](O)[C@H](c1ccccc1)[C@H](C)CC)[Si](C)(C)C 1922991571 VHAWHEHTOOBYLP-COXVUDFISA-N 276.496 4.611 30 10 CJEE CCCCCCCNCc1c(F)ccc(Cl)c1F 1925529939 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WPICTZDHAMOBDQ-UHFFFAOYSA-N 293.571 4.844 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H]1CCCC(C)(C)C1 2187481090 RAWBMFCCBUPYTM-DLBZAZTESA-N 293.571 4.842 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(O)[C@@H]1CCC1(C)C 2188561434 RJIQIQPJIBSWKU-RYRKJORJSA-N 283.500 4.642 30 10 CJEE C=CC1(CNC2C[C@@H]3CC(F)(F)C[C@H]3C2)CCCCC1 2189517443 JVJPZOPZWNOGOJ-ZIAGYGMSSA-N 283.406 4.536 30 10 CJEE CC(C)(CC[C@@]1(C#N)CCOC12CCCC2)C(F)(F)F 2190322752 YYWLVKYKJAEKBR-ZDUSSCGKSA-N 289.341 4.598 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)CC1 2190988935 PESJPTNTHGOJOM-VIANIRGKSA-N 274.448 4.700 30 10 CJEE CCC[C@H]1CC[C@H](CN(C)C[C@H](CS)CC2CC2)CC1 2192822373 YMZDSMXKQXVIFV-KBAYOESNSA-N 297.552 4.871 30 10 CJEE CC#CCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2)o1 2194059221 MXSKHOLBJKKBDU-HNNXBMFYSA-N 288.774 4.827 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)C1CCC(C(C)(C)C)CC1 2196855871 FFGGWNZOGLHBDZ-CPFNUKBASA-N 277.496 4.867 30 10 CJEE CCCCN(C[C@](C=O)(CC)C(C)C)C1CCCCC1 2197163962 GFYZDXFDAJVWJC-SFHVURJKSA-N 281.484 4.673 30 10 CJEE O=CC1(C[C@H]2C[C@@H]2c2ccccc2)CCC2(CC1)CC2 2200380857 HKGRWTLFNMLIIC-IAGOWNOFSA-N 268.400 4.720 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)[C@H]1C[C@H]1C1CCCCC1 2200495936 BHJDCHPAYOKMJB-FJIDUMEYSA-N 277.452 4.674 30 10 CJEE CC#CCCCCOc1cc(Cl)ccc1[C@@H](C)NCC 2203345793 DVQGEXKALTVWLT-CQSZACIVSA-N 293.838 4.583 30 10 CJEE CCCCCC#CC[C@@H](NCCC)C1CCC(F)CC1 2203807493 NNVZKSNBQZWMPF-DAWZGUTISA-N 281.459 4.857 30 10 CJEE COc1ccc(C(C)C)cc1C(=O)C1=CC[C@H](C)CC1 2203946073 GAHDNLKBNLQKMJ-ZDUSSCGKSA-N 272.388 4.748 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H](OCC)C1CCCCC1 2206893833 DPWNQAORUHNJEI-ROUUACIJSA-N 281.484 4.826 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H](OC)C1CCCC1 2206904328 ZZFYJALTEUCHRY-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCN1C[C@@](C)(CC)CC1=O 2207375996 ICJYSMXHBUVPJW-SFHVURJKSA-N 279.468 4.942 30 10 CJEE C=CCCCCCCCCCN(CC)C[C@@H]1CCOC1 2207380671 BEWLWCASTZRASL-SFHVURJKSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCCN1C(=O)C[C@@]1(C)C(C)C 2207381982 NCYSKERGRBWFGV-SFHVURJKSA-N 279.468 4.940 30 10 CJEE C=CCCCCCCCCN1CCOC[C@@H]1CC(C)C 2207383062 YUFUGPQYZYUDMA-SFHVURJKSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CC(C)(C)[C@H]1OC 2207394843 AQAMVPVVDQDLKJ-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCN[C@H](C)C1 2207430359 UCRIFAFOZBWRMS-SJORKVTESA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1CCO[C@H](C)C1 2207431067 BBEYMLVWTBJQLF-SQNIBIBYSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@@H](CC[C@H]1CC1(C)C)NN 2207433284 YEKBLUATMWQZOV-IRXDYDNUSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1C[C@@H]2CC[C@H](C1)O2 2207433603 BHDPVQVZZSNZIN-HQSKLWIPSA-N 279.468 4.578 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CCCCN1C 2207434694 GNNADJGXASLVIA-QZTJIDSGSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C1(C(F)F)CC1 2207443273 YPLIXUDQGOKHHR-CQSZACIVSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC[C@H](O)CC[C@H]1CC[C@H](N)C1 2207447725 JJRJDBLOJADKNE-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@H]1CC[C@@H](CC)C1 2207449923 SCSSPWWAAXBMNV-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)c1ccc(SC)cc1 2207452311 YNJICRDELOYXAC-IRXDYDNUSA-N 295.492 4.520 30 10 CJEE C=CCC(C)(C)CNc1cc(Cl)c(N)cc1Cl 2213665804 PVAIYDVIGLPKSD-UHFFFAOYSA-N 273.207 4.590 30 10 CJEE C=CCCCCCCCC(=O)c1sncc1C 2214623493 NYARKGYNEURLIP-UHFFFAOYSA-N 251.395 4.551 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2216076832 RSBDAHXIBLHLFY-QMTHXVAHSA-N 272.219 4.770 30 10 CJEE C=C1CC(C[C@@H](NCC)c2sc(C)c(C)c2C)C1 2221238860 GIVHUEJRJJEFKW-OAHLLOKOSA-N 263.450 4.680 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2cc(Cl)cc(Cl)c2)O1 2222038997 HWLBLXHJHMQDJE-UONOGXRCSA-N 284.186 4.691 30 10 CJEE CCCCCCCCCCCCOCC[C@@H]1CO1 2223239627 DUHTXRPONPCPHU-MRXNPFEDSA-N 256.430 4.713 30 10 CJEE CCCCCCCC[C@]1(F)CCC[C@H]2CNCC[C@H]21 2225410914 VOUARCVLUCJBIR-BBWFWOEESA-N 269.448 4.855 30 10 CJEE COc1cc(Cl)cc(Oc2ccc(Cl)cc2C#N)c1 2225641928 KINDDYHPKWTNCR-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE N#Cc1cc(F)c(SCCCCCC2CC2)c(F)c1 2227209698 OUDSKFVMHFRXJG-UHFFFAOYSA-N 281.371 4.899 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CC12CCCC2 2227265176 HLHWOEPBZNKPRJ-QGZVFWFLSA-N 264.409 4.938 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@@]1(C)C(F)F 2227270265 DZEFJECNWUJPOY-IJEWVQPXSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCC(=O)CNc1ccccc1 2227286845 NTJFEGXFDDRJTR-UHFFFAOYSA-N 259.393 4.584 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H](F)C2CCC2)CC1 2228152051 KTWKQRJUKKNQHB-IAGOWNOFSA-N 267.432 4.629 30 10 CJEE CC1=CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1=O 2230722808 TVLQMQWDSFFNOA-WCXIOVBPSA-N 260.421 4.908 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@@H]1CNCC 2231016670 BSSCLGJQSOZPLH-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H]1CCCC(F)(F)C1 2231487968 WPEXNYXPWIZABR-DZGCQCFKSA-N 271.395 4.536 30 10 CJEE CCCCCCCC[C@](C)(N)CC1(COC)CCC1 2231905480 MNZQISPOAVWNSH-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1OCCC1(C)C 2231926586 WIMCYJCCUAMXLO-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)NC1CCP(C)(=O)CC1 2231931752 BKADOOOHBHOPAX-LYGPFTKASA-N 287.428 4.870 30 10 CJEE CCCCCCCC[C@@H](C)NCCCOCC(C)C 2231946877 TZISVCLUOAWLLO-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CC(C)P(=O)(CCCOc1ccccc1C#N)C(C)C 2232432815 GOCOPOAGYLPNJF-UHFFFAOYSA-N 293.347 4.507 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1OC[C@H]2CCCC[C@@H]21 2233182905 HPHKYXDMOOPCPY-VSZNYVQBSA-N 281.484 4.660 30 10 CJEE CCC1=CC[C@H](CC2C[C@@H]3CCC[C@H](C2)C3(F)F)C1=O 2233593284 LICPRABISBBHAW-WKOCEIDGSA-N 282.374 4.764 30 10 CJEE C=CCCCCCCN1CC[C@H]2[C@H](CCCC2(F)F)C1 2233764864 HXGBXKWZKBQNQN-CVEARBPZSA-N 285.422 4.880 30 10 CJEE CCCN[C@@H](C#CP(C)(C)=O)C(C)(C)C1CCCCC1 2233790141 IHWIKDDHSBYFRJ-INIZCTEOSA-N 297.423 4.545 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnn(C)c1C(C)C 2234824909 YWNKZOODWVJCBF-MRXNPFEDSA-N 279.472 4.555 30 10 CJEE C=CCCCCCCCNC[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2235513741 MKHLDCRGAGMNDW-OAGGEKHMSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(F)ccc1OC 2235533529 UOZFHRUUZDEICN-INIZCTEOSA-N 280.383 4.784 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1CCOCC1(C)C 2235534137 XVOKDVAOBQBQFP-DLBZAZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](C)[C@H]1CCCCO1 2235534791 JVNGBGIGTVNOOQ-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccc(F)c(C)c1 2235539002 MLPBRLCGSWBFKX-KRWDZBQOSA-N 278.415 4.555 30 10 CJEE CCCCCCCCCCC[C@@H](C#CCOC)NCC 2235922254 FBBDKMWHXRBYIR-SFHVURJKSA-N 281.484 4.535 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C[C@H]1CC[C@H]1C)NC 2236226680 PKBJVNPZVHRLNN-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)CC1(C)CC(C)(C)C1 2236611974 QVDYPDIKTVRDCR-CRAIPNDOSA-N 283.500 4.642 30 10 CJEE CCCCCCCCCOC[C@H](NCCC)[C@@H]1C[C@H]1C 2239438372 BUZODYGMFMWQLE-KURKYZTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCO[C@H]1CC2(CC[C@@H]1NC)CC2 2239449159 MWBWBBDGXKVWIS-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCOC[C@H]1CC[C@H]1CNCCC 2239466302 ANPKYRJVNOQTTA-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCOCc1cccc(C#N)c1F 2239512054 ZQIURIVOYUKQEW-UHFFFAOYSA-N 277.383 4.965 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C1CC(c2ccccc2)C1 2240167345 LFEKXLOUDWIAJN-GWFLUQINSA-N 271.448 4.761 30 10 CJEE CCCCCCCOc1ccc(CNC2CCC2)cc1 2240230364 MTTQEGOZNOJNBA-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE CC[C@@H](CS)CSC[C@@H]1CCCCC1(F)F 2243508534 CEZNBGDLBKWZQY-QWRGUYRKSA-N 268.438 4.501 30 10 CJEE CCCC[C@@H](CC)CSC[C@H](CS)C1CC1 2246111725 XHKRVBISKQYPJS-OCCSQVGLSA-N 260.512 4.892 30 10 CJEE CC(C)(C#N)CCCCSC[C@@H]1CC12CCC2 2246759096 AHUJFNDCPLBENT-ZDUSSCGKSA-N 251.439 4.630 30 10 CJEE C=C(C)CCNCc1cc(Br)cc(C(C)C)c1 2247257541 AQNAEVLIWJRQTI-UHFFFAOYSA-N 296.252 4.628 30 10 CJEE SC[C@@H](CSC[C@@H]1CC12CCC2)c1ccccc1 2254032015 XKUCEPWCFOLDDM-GJZGRUSLSA-N 278.486 4.623 30 10 CJEE CCCCCCCCCN1[C@H]2CCC[C@@H]2C[C@H]1C 2254255799 BTCNCXLRXFPIGR-ZACQAIPSSA-N 251.458 5.000 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)CCC(F)(F)CC 2256447034 YWTAOAHCWOVEAJ-GOSISDBHSA-N 281.412 4.605 30 10 CJEE Cc1cc(C(=O)CC=CC#CC(C)(C)C)sc1Cl 2256709974 DOZZLSHUMMLGAF-UHFFFAOYSA-N 280.820 4.888 30 10 CJEE C=CCCCCCCCSc1cnccc1C#N 2259000489 ZJVUUHJYDTVFBJ-UHFFFAOYSA-N 260.406 4.572 30 10 CJEE C=C(C)CCCC[C@]1(O)C(C)(C)[C@H]2CC[C@@]1(C)C2 2259236332 ANHMKSNSGMUQJV-XIRDDKMYSA-N 250.426 4.700 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1cc2ccccc2s1 2260241368 XQVZCKWHXYXRBQ-QWHCGFSZSA-N 259.418 4.764 30 10 CJEE C=C[C@H](C)CCN[C@@H](c1ccc(Cl)cc1)C1CC1 2260398760 FWBLFWVOGCDHDX-BLLLJJGKSA-N 263.812 4.593 30 10 CJEE CCCCCCC[C@@H](O)c1cnc(C(C)(F)F)s1 2260740271 OMSUQBMAYURRBR-SNVBAGLBSA-N 277.380 4.649 30 10 CJEE C#C[C@H](CCC)N[C@@H](C)CCCCCCCCC 2263710881 GCUVPVZVYYUPOE-DLBZAZTESA-N 251.458 4.907 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1(C)CC2(CCC2)C1 2268761362 FWIDNNVTVKTBAR-UHFFFAOYSA-N 258.405 4.522 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cccc(C)c1F 2271782253 VZNSRYUJZPYNAN-MRXNPFEDSA-N 263.400 4.921 30 10 CJEE COCCCCCCS[C@H](CC#N)c1ccccc1 2271906435 LWBCJKKFIJRDCV-MRXNPFEDSA-N 277.433 4.581 30 10 CJEE Cc1nc(SC2CC3(CC(C)C3)C2)c(Cl)cc1C#N 2273295480 DTNRNPAPMTUZJL-UHFFFAOYSA-N 292.835 4.586 30 10 CJEE C=C(C(=O)C1CC(CC(C)(C)C)C1)c1ccccc1 2274210901 HZNZEGOVXBUUIE-UHFFFAOYSA-N 256.389 4.731 30 10 CJEE CCCCCCCO[C@@H]1[C@H](O)C(C)(C)CCC1(C)C 2274480835 UGDQQEYPSITMPN-LSDHHAIUSA-N 270.457 4.549 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1CCCC1 2276052009 WOJPPFIHCBILEE-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=C(C)CCCC[C@H](OCCN)C(CC)(CC)CC 2276156447 ULKRYPMQJCLNJV-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC[C@@H]1C 2276655251 YUWHNDGSDQAEKN-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)CCCCO 2278244175 IJILSBUHEMCOMS-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CO[C@@H](CC)C1 2278247720 XAGIGJHICLIJHZ-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE Cc1ccc(Cl)c([C@H](O)C(=O)C2=CCCCCCC2)c1 2283358445 RILANKCPGKZCJZ-KRWDZBQOSA-N 292.806 4.532 30 10 CJEE CCCc1ccc([C@@H](C#N)Nc2ccccc2Cl)cc1 2283544475 VFQLLNYPFSVJPU-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCC[C@H]2CC[C@H]1O2 2283840207 PVKGPWADPUASCI-XLAORIBOSA-N 281.484 4.815 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H](C)C1CCCCC1 2284095297 LYHAZOROUMJTMW-SJLPKXTDSA-N 275.480 4.787 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](N)CC=CC#CC(C)(C)C)CC1 2284100736 JEOHFIXZZDVACD-KURKYZTESA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CCN1CCCC[C@@H]1c1cccs1 2284128761 IUJHZCIESRJTOE-MRXNPFEDSA-N 287.472 4.881 30 10 CJEE Cc1ccc(C2(C#N)CC(C)(C)CC(C)(C)C2)nc1C 2287553136 XMHBBOHNJFUYGQ-UHFFFAOYSA-N 270.420 4.696 30 10 CJEE CCC[C@H]1CC[C@H]([C@@H](C#CC2CCCCC2)NC)CC1 2289694643 XHZOYPFKUAIWLW-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE C=CC1CC(CCCCCCCCC)(OCC(=O)O)C1 2290582688 ZUHLLNWEZOZOPU-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H]1C=CCCC1 2290875925 JWYLGBYJVOIIDI-CVEARBPZSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)C1=CCCC1 2291223940 SVUFLYNVHCNCJS-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=CCCCCC[C@@](CC)(CCCCC)OCC(=O)O 2291423252 CXOIMIXXNOKFLA-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@](CC)(OCCC(=O)O)C1CCC1 2291444871 RQGQMGYKBWLISV-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C(C)(C)C)[C@@](CCC)(OCCC(=O)O)C(C)(C)C 2292250660 ZZRKOLIBAGPJMD-QGZVFWFLSA-N 284.440 4.665 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCCN)C1(C)CCCCC1 2293362767 HWPRGYSFRWZZIN-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1ccsc1OC 2293369455 VWICTFYXZPDCBF-OAHLLOKOSA-N 299.480 4.524 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C(F)(F)F 2293459123 KISWIWRZSBHIGH-CQSZACIVSA-N 297.405 4.814 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2293517776 ZTGLCLAEQOJWJA-LZLYRXPVSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1CC(CC)C1 2293555627 ZLDDYJOMCHBCDH-DAWZGUTISA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)[C@@](C)(OCCN)C1CCC(CCC)CC1 2293711877 PGCFZGXURKNZBT-AQEOSJORSA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@@](CCC)(OCCCN)[C@H]1CC1(C)C 2293916056 PJQYZVUCTSCCDF-XYJFISCASA-N 281.484 4.539 30 10 CJEE C=CC=CCCC(=O)[C@@](C)(O)CCCCCCCCC 2295596139 HRHWEZQTTRGFFD-SFHVURJKSA-N 280.452 4.970 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC12CC(OC)C2 2295691015 HRRWOJCHLQVADE-NALMEZQBSA-N 281.484 4.673 30 10 CJEE CCCC[C@H](CC)CSc1ccc([N+](=O)[O-])cc1C#N 2295766593 OSGUTRXRPKXOFV-LBPRGKRZSA-N 292.404 4.775 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1csc(Cl)c1 2300178374 IBFNUILSCFFTFE-NQBHXWOUSA-N 269.841 4.797 30 10 CJEE C=CCC(CC=C)Nc1c(F)cc(Cl)cc1F 2301047434 ADQKEFLONAALEI-UHFFFAOYSA-N 257.711 4.551 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1sc(C)cc1C 2304040007 CJVYAGVMXPIASS-AWEZNQCLSA-N 251.439 4.618 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@H]1CCC[C@@H](CC)C1 2321099263 QEGJONANOQVDPN-OWCLPIDISA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCC(F)(F)F)NC 2321107201 DUWURAAOOVSXPU-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(F)c(C)c1Cl 2321180073 OTSJHYXRGBQJIG-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@]12CCCC[C@@H]1CC2 2321234237 RPYJAMFAPFFGJP-QZWWFDLISA-N 250.426 4.700 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCCCCCC1CC1 2327163689 RQTRAOHGUNAMIK-MRXNPFEDSA-N 272.498 4.956 30 10 CJEE Cc1cc(Cl)c(C(=O)C#CC2CCCC2)c(Cl)c1 2327921119 OHWWFZYGMWJPQJ-UHFFFAOYSA-N 281.182 4.678 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2333470435 QQURZJYUHQPLSZ-OUCADQQQSA-N 276.342 4.751 30 10 CJEE CCC(CC)CC[C@@]1(C=O)CCOC12CCCCC2 2338163299 CZIVTTIDWPSVBA-INIZCTEOSA-N 266.425 4.511 30 10 CJEE C=CCC(CC=C)N(C)CC[C@@H](C(F)F)C(C)(C)C 2338730424 QICXDKVQWMDQBN-AWEZNQCLSA-N 273.411 4.757 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@]1(CC)CC1(F)F 2338746821 KDVIKHXSYFGIBH-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE C#CCCCCCCN[C@@H]1CCC2(CCCCC2)C1 2338795937 OLDUQSDJZLUZNF-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE C=CC[C@@H](C[C@@H](c1ccccc1)C1CCCC1)NC 2342479324 GAILYLJWXUKZIH-ROUUACIJSA-N 257.421 4.515 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(F)cc1SC 2353819961 FGMDBMBUYZDNEW-OAHLLOKOSA-N 281.440 4.945 30 10 CJEE CCc1ccsc1CNc1ccc(C#N)c(SC)c1 2353830684 NOOLONSVTXNWQT-UHFFFAOYSA-N 288.441 4.516 30 10 CJEE CC(C)C[C@H](CS)CN(C)CC1(C(C)(C)C)CCC1 2353830954 GISQDCVXFUWCJK-HNNXBMFYSA-N 285.541 4.727 30 10 CJEE CC(C)C[C@H](Nc1ccccc1C#N)c1ccccc1 19984614 KCBBWGOHXGSOBH-SFHVURJKSA-N 264.372 4.758 30 10 CJEE CC(C)c1ccc(-c2nc3ccccn3c2[C@H](C)C#N)cc1 31921209 OOQRGVSIERPZFG-CQSZACIVSA-N 289.382 4.752 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F 36973511 RDSYHCAVKBSSQH-LLVKDONJSA-N 284.325 4.958 30 10 CJEE N#Cc1ccc(NCc2ccc(F)cc2Cl)cc1Cl 37393456 NBGJMKQFKZMORV-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1cc(Cl)cc(Cl)c1 37939047 HLUDYKUDIMRNPS-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCC1CCC(NC(=O)C(C#N)(CCC)CCC)CC1 44825838 RCXXUEWDQNSLIA-UHFFFAOYSA-N 292.467 4.572 30 10 CJEE CCCCCC[C@H](C)N[C@H](CC#N)c1ccccc1 55018033 IZZYDSSEOGJAAX-DOTOQJQBSA-N 258.409 4.590 30 10 CJEE C[C@@H](C#N)Cc1ccc2cc(Oc3ccccc3)ccc2n1 62704511 PPZOMPVKHAZPFU-CQSZACIVSA-N 288.350 4.729 30 10 CJEE CCCOc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1 77085238 OFSNOCWOFARRKH-UHFFFAOYSA-N 283.371 4.905 30 10 CJEE CC(C)[C@H](CS)COc1c(Cl)cccc1Cl 87080699 WGMULJQCOBKGMP-VIFPVBQESA-N 279.232 4.574 30 10 CJEE CCC[C@H](NCCCC(C)(C)C#N)c1cccs1 87597771 SPAQEXPMGHTKPI-ZDUSSCGKSA-N 264.438 4.509 30 10 CJEE Cc1cc(C)cc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)c1 91883833 AXFXPNKCHTULOB-CUYAVPTFSA-N 285.431 4.693 30 10 CJEE CCC[C@H](C)N(C)CC(CS)(CCC)CCC 94579151 OTZYMPNXVCUFAH-AWEZNQCLSA-N 259.503 4.623 30 10 CJEE CC(C)[C@@H](CS)COc1ccccc1C(C)(C)C 94582477 ARMZNSPWZDRZEB-CYBMUJFWSA-N 266.450 4.565 30 10 CJEE Cc1cc(Cl)cc(C)c1OCC1(CS)CCCC1 94583471 JPGMLFQZGBZDGJ-UHFFFAOYSA-N 284.852 4.826 30 10 CJEE CCC(CC)(CS)COc1cccc(C(F)(F)F)c1 94584121 UQBMDVOLZUGRCQ-UHFFFAOYSA-N 292.366 4.820 30 10 CJEE CCC(CC)[C@@H](C#N)c1ccc(OCC(C)C)cc1 94674615 VIWMIBAEILDYAL-QGZVFWFLSA-N 259.393 4.765 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)cc1F 97208744 QAUYPVSSJNCUFC-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCCC)cc1CC 107661378 OVRFXKMKFZRHFI-OAHLLOKOSA-N 258.405 4.630 30 10 CJEE CCCCCCCO[C@H](CNC1CC1)c1ccc(C)cc1 110067939 GGHKLVUBEIUDQE-LJQANCHMSA-N 289.463 4.775 30 10 CJEE N#Cc1ccc(Nc2cccc3c2CCCC3)c(Cl)c1 110251859 IJDMHCGSULTMEB-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE C[C@@H]1CCCC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N 110256732 UGXLAOVEFSZFIE-VXGBXAGGSA-N 296.336 4.815 30 10 CJEE C[C@H]1CCCC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N 110256740 UGXLAOVEFSZFIE-RYUDHWBXSA-N 296.336 4.815 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC(C)(CC)CC2)C1 110265603 VSTMXVZPFXRGCU-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CN)c1ccc(C(C)C)cc1 115923222 MUPQMIPTCDPCEF-OALUTQOASA-N 291.479 4.574 30 10 CJEE CCCCCCCCC[C@H](NCCC)C(C)(C)N(C)C 118139850 XYUIYRDADYPGPA-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cc(OC)cs1 122702811 IMCBHEKFDAMAQW-HNNXBMFYSA-N 298.496 4.792 30 10 CJEE CCCCN(c1ccccc1)c1cc(C#N)cc(Cl)n1 122820613 SYQULRQKQMEXDM-UHFFFAOYSA-N 285.778 4.545 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(OCCC)cc1 123021149 SNVWBGCYFSRPNC-SFHVURJKSA-N 292.467 4.730 30 10 CJEE CCCCCCCCC[C@H](NN)C1CCC(C)CC1 125917231 MTMNCHGYGIQVAM-JCYILVPMSA-N 268.489 4.785 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)CC1 126304633 HNICVTMKWOCPPX-CZUORRHYSA-N 274.383 4.858 30 10 CJEE CCCCCCCC(=O)Cc1cc(F)ccc1C 126908993 AIALNVVPTCZTLH-UHFFFAOYSA-N 250.357 4.606 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1cc(C)nn1C 127222078 JGUVRCSAWAYPMP-GOSISDBHSA-N 294.483 4.553 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCSC(F)(F)F)C1 130944629 JQUNGGXABQYIAO-QWRGUYRKSA-N 265.344 4.740 30 10 CJEE Cc1cc(NC2CC(C)(C)CC(C)(C)C2)ccc1C#N 130981772 CATLWENPLHUUPU-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE N#Cc1cc(F)c(Nc2c(Cl)cccc2Cl)c(F)c1 133980894 WVOHUAPAIJOKPY-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCSc1cccc(N(C)c2cccc(C)c2)c1C#N 136655277 BHBLDRBDIJZGOF-UHFFFAOYSA-N 282.412 4.747 30 10 CJEE CSc1cccc(O[C@H]2CCCc3ccccc32)c1C#N 136702011 NPRHELZBEIDXFU-INIZCTEOSA-N 295.407 4.737 30 10 CJEE CCSc1cccc(Oc2ccc(F)c(C)c2)c1C#N 136723040 AEBJPSGQKXVOSR-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE CCCCCCCCCC[C@H](N)CCc1ccccn1 143459171 INBMFRVZTYRTLW-KRWDZBQOSA-N 276.468 4.872 30 10 CJEE CCCCCCCNc1ccc(C(F)(F)F)cc1C#N 158341816 BPDPJXAHSBOKBF-UHFFFAOYSA-N 284.325 4.959 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(OCC#N)cc1 159168943 JZBYOIRKDODBRE-INIZCTEOSA-N 288.435 4.600 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c2ccccc2n1 160480550 VNFVGYRJODXAQA-SFHVURJKSA-N 271.404 4.937 30 10 CJEE CCC(C)(C)C1CCC(NCc2ccc(C#N)s2)CC1 161094656 XXUBGNCXPDRSHO-UHFFFAOYSA-N 290.476 4.704 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@@H]1C 162338570 IFLIKFRSLUHHRU-KURKYZTESA-N 283.500 4.920 30 10 CJEE SCc1ccc(C2(N3CCCCC3)CCCCC2)cc1 207087617 UZJUAASOLYWAEF-UHFFFAOYSA-N 289.488 4.762 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCCC 219620955 KLWIUOGBPOADMF-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Cl)c2cccnc12 228824231 RQUXSQVMIOERJZ-LLVKDONJSA-N 260.768 4.655 30 10 CJEE CC(C)(C#N)CCCCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 232517930 CTJAQIUHNFRZCY-RVKKMQEKSA-N 277.452 4.938 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CN)CC[C@@H](CC)C1 232934884 KEKZNOMBISWKKP-SQNIBIBYSA-N 283.500 4.643 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(O)CCC(C)CC1 232948703 YJEUOPYKPHGUED-LXPRWKDFSA-N 284.484 4.819 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cc(C)ccn1 233124652 ZTBIABLMDFKHEE-INIZCTEOSA-N 260.425 4.567 30 10 CJEE C=CCCCCC[C@@H](Cc1cc(F)cc(F)c1)NCC 233537528 PVQKWIPYXZIAEB-KRWDZBQOSA-N 281.390 4.622 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(C)c(C)s1 234435114 FAGDFARLVOXSAQ-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE CCN(CC)c1ccc(C=Nc2cc(C)cc(C)c2)c(O)c1 252463142 ZETJVHQQHFUIJD-UHFFFAOYSA-N 296.414 4.606 30 10 CJEE Cc1ccc(N=C/C=C(/O)c2cccc(C)c2)cc1 254736854 HOPGCQRWCOFEQK-DBHUVCNSSA-N 251.329 4.605 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 308061256 ZWKSNTWLFJIOBL-RISCZKNCSA-N 295.785 4.728 30 10 CJEE CCCCCCCC[C@H](N)c1c[nH]c2ccccc12 311346946 KMQWZCUNNASOAF-INIZCTEOSA-N 258.409 4.918 30 10 CJEE C=CCCCCCCNc1nc(Cl)nc2ccsc12 312083225 VBPXVZVYDDYTNN-UHFFFAOYSA-N 295.839 4.893 30 10 CJEE CC(C)C1CCC([C@H](C#N)Nc2ccc(F)cc2)CC1 312271265 MRNSOUSEOBNRHE-KVULBXGLSA-N 274.383 4.592 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@H](CNC2CC2)O1 312400295 PDQHCAPNTILJRQ-ZWKOTPCHSA-N 281.484 4.817 30 10 CJEE CC(C)(C)C#CCNc1cc(Cl)cc(C(F)(F)F)c1 381746011 RLDGQESGPMXRMG-UHFFFAOYSA-N 289.728 4.820 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CCCC1(F)F 382241127 WDUUWAMZFBUNQS-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C[C@@H]1C[C@](C#N)(Nc2ccccc2Cl)c2ccccc21 383826191 IECCMQUSMNHXPD-SJKOYZFVSA-N 282.774 4.678 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cnc(Cl)cc2Cl)C1 385547643 OTNQTMCDENWVNT-IINYFYTJSA-N 283.202 4.651 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CC[C@H](CC)C1 388790451 MOHKCYQDNCVIRF-YESZJQIVSA-N 263.469 4.621 30 10 CJEE CCCCCCCCOc1cccc2c1C(=O)CC2 388931744 RMQFUQIKXIJBEY-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE C=CCC(C)(C)CNCc1ccc(C(C)(C)C)cc1 389139887 RXLCTDNFAKUWQS-UHFFFAOYSA-N 259.437 4.676 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C/C1=C/B1OC(C)(C)C(C)(C)O1 396646315 LWEWUNGPSOOOOB-IZZNSQBKSA-N 278.245 4.636 30 10 CJEE CCC[C@@](C#N)(Nc1cccc(Cl)c1)[C@H]1CC1(C)C 397711901 SUCRJPMAANMCFG-HOCLYGCPSA-N 276.811 4.860 30 10 CJEE C=CCCC[C@@H](C)NCc1[nH]c2ccccc2c1Cl 398152250 DXCHYGHJVWLYBZ-GFCCVEGCSA-N 276.811 4.656 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCC[C@@H]2CCOC2)CC1 401016229 VAGPHSVRVBHSRG-KLHKWILBSA-N 277.452 4.939 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@H](NC)CO[C@@H]1C 405879610 KOTOYDBPWHEXQJ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 464435517 FBWFTOKYWFNGKZ-KBPBESRZSA-N 291.460 4.578 30 10 CJEE C#CCCCCC[C@@](C)(O)c1cc2ccccc2s1 686676790 HJCDSZVGPSZOKH-QGZVFWFLSA-N 272.413 4.693 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1(C)CCCCC1 686693519 NTQTVABLDSSMOH-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)CC1CCCCC1 689810241 TXAMZFWVDLFGKV-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CN(CCCCCCS)[C@@H]1CCCC(C)(C)CC1 697831423 XZDWJJBGBRZUNN-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE C=CCC1(Nc2c(Cl)cccc2[N+](=O)[O-])CCCC1 700728489 KPZMWIMCQHDZJN-UHFFFAOYSA-N 280.755 4.549 30 10 CJEE C#C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)C(C)(C)C 702250390 HKOLSLDTFRPYTR-IAGOWNOFSA-N 271.448 4.801 30 10 CJEE SCC1(CN2CC[C@H](C3CCCCC3)C2)CCCCC1 708803696 KWRZMPUZZCYPON-KRWDZBQOSA-N 295.536 4.769 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H]2C=C[C@H]1C2 710734049 BQKVOEKNONLOSQ-YESZJQIVSA-N 250.426 4.844 30 10 CJEE CC[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C 711076541 XZFAJCVRVLWPKX-GFCCVEGCSA-N 292.810 4.613 30 10 CJEE CCCCCCCCC[C@H](N)CCCOC(F)(F)F 713401010 KMYYQXKFFVIRSD-ZDUSSCGKSA-N 283.378 4.771 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1C[C@H]1C1CC1)NN 714816453 ZTGYWDURFFONAL-KURKYZTESA-N 280.500 4.785 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(-c2ccccc2)cc1 715027227 AJZFGFCKGHEDDN-KSSFIOAISA-N 252.357 4.599 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C(CC)(CC)c1ccccc1 715749211 MLCIEJUYIORILV-AEFFLSMTSA-N 273.464 4.935 30 10 CJEE C=CC[C@@H](C)[C@@H](CSc1cccc(Cl)c1)NCC 715801605 YTIFFNMFATZYRF-IUODEOHRSA-N 283.868 4.622 30 10 CJEE CCCCCCCCCNCC[C@@H]1CCCS1 715865426 FHHAZNDHATUPSQ-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE C[C@H]1CC([C@H](C#N)SC2CCCC2)C[C@H](C)C1 719360449 JTJMVQKXBVAXJM-JMSVASOKSA-N 251.439 4.627 30 10 CJEE CCCCCCCCC[C@@H](O)C1C2(CC2)C12CC2 720225314 RWKPAZIJRNTARZ-CQSZACIVSA-N 250.426 4.678 30 10 CJEE CCCCCCCN[C@@H](C1CCCCC1)C1CC1 723980078 DAHLMDHTKQKMJA-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H](C)O[C@H](C)C1)NC 724496187 BLQPSSLEBSSJGT-LTIDMASMSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cnccc2C)CC1 724554005 QOZMWAXZDYIKFG-SFHVURJKSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Cl)cc(F)c2F)CC1 724585224 DNZNAWAEIGNRTK-AWEZNQCLSA-N 286.749 4.788 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H](CCC)CC(C)C)CC1 724617068 KSVXVMWVGNIPBY-DLBZAZTESA-N 251.458 4.913 30 10 CJEE CC[C@H](/N=C1/N[C@@H](C2CCCCC2)CCS1)C1CCC1 725079487 BTEWEYDZEYHFKE-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1134216488 IUBLLXFIZMYWNG-WSTZPKSXSA-N 299.458 4.821 30 10 CJEE CCCCCCCN(C)[C@@H](C)c1sc(CC)nc1C 1167464420 LPKKJXXKUXAFNH-AWEZNQCLSA-N 282.497 4.977 30 10 CJEE C#CCCCCCCN[C@@H](CC)c1ccc(C)c(F)c1 1168826506 UUTSKUWGIZIAEK-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C=CCCC[C@H](Nc1nc(C)cc(C)n1)c1ccccc1 1187470945 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CCCCCCCCCC[C@H](CCC1CC(F)C1)NN 2236188618 XRGWLOHLXUDWKU-OFLPRAFFSA-N 286.479 4.877 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CC1(C)CC(C)(C)C1 2236596845 RGIMCVLQRCHOTH-OAHLLOKOSA-N 282.468 4.883 30 10 CJEE Cc1cc(Oc2c(C)cc(C#N)cc2C)c(N)cc1Cl 2236948822 CYDMLEUAHHGDOH-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE C=CCCCCCCCCOCC1(CNCC)CCC1 2238933593 RLJWQPMUVYHRIZ-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE CCCC1CCC(C(=O)C#Cc2ccc(Cl)cc2)CC1 2239476934 UNEJQGDDIMXXSG-UHFFFAOYSA-N 288.818 4.867 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCC(C)(C)[C@H]1NCCC 2239510869 PXLGHMXFIPBCMW-ZACQAIPSSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCCOC[C@H]1C[C@H]1CNCC 2239549863 MACGYGCLSCQNAN-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE Cc1ccc(C#C[C@H](O)c2cc3sc(C)cc3s2)cc1 2239641690 WHEQBZIXPRGLCM-AWEZNQCLSA-N 298.432 4.665 30 10 CJEE CCCCCCCC[C@](C)(O)c1nsc(C(C)(C)C)n1 2240620612 WPMMVKUGRGTJQX-INIZCTEOSA-N 298.496 4.794 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC2(CCC2)[C@H]1OC 2240666165 KROCJEFCMVOZNP-BBWFWOEESA-N 281.484 4.673 30 10 CJEE C=CC[C@@H](C)c1c(F)c(F)c(Br)c(F)c1F 2243477307 GHTRNIQDSRAWGS-RXMQYKEDSA-N 297.089 4.685 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C#N)CCCSC2)C1 2246678772 LMGQTSABIIIMHD-KFWWJZLASA-N 251.439 4.630 30 10 CJEE C=C(C)CCCCNc1cccc(Cl)c1OC 2250152578 WPWNBHKIZYPZOG-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE CCCCCCCCN(C)[C@@H](C)[C@@H]1CC12CCC2 2256418581 AASBKYIQISCGKN-HOTGVXAUSA-N 251.458 4.857 30 10 CJEE C=CCCSc1ccc([C@@H](C)NCCC)cc1C 2258993629 PRBOUWSAPUOHOM-CQSZACIVSA-N 263.450 4.724 30 10 CJEE C=CCCS[C@@H]1C[C@@H](CCC)CC[C@@H]1NCCC 2259050361 ALNPFMZKBZHULP-HRCADAONSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)C 2259198213 GYLPKSWKSAOHMR-BBWFWOEESA-N 251.458 4.783 30 10 CJEE C=C(C)CCCC[C@H]1C[C@@H](NCCC)C[C@H](C)C1 2259235837 UUCSEMFROQONNE-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@](O)(CC)c1ccccc1F 2259236306 AGDMVTGWMQLFPQ-INIZCTEOSA-N 250.357 4.560 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1C[C@H]1C1CCCCC1 2259240511 BOFBTLFPVYFIQJ-ULQDDVLXSA-N 250.426 4.700 30 10 CJEE C=C[C@](N)(CC[C@H]1CCC[C@@H](C)C1)c1ccccc1 2265055995 SMMUNHUWYAIYMZ-NUJGCVRESA-N 257.421 4.633 30 10 CJEE CC(C)(C)C#CC=CCC[C@H](O)c1ccc(Cl)cc1 2268741041 DUKHFFRYEBVHKC-INIZCTEOSA-N 276.807 4.759 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](CCC)OCC 2271785137 KADXBEZDNRGYME-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H](C)c1ccc(C)cc1 2271789950 BXVWUOIALQSAMB-WMZOPIPTSA-N 259.437 4.823 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)NCCC 2271800546 ZKRBHZNBDBZFNO-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=C[C@@H](C)CCNc1nc(Cl)nc2sc(CC)cc12 2273228046 HXYOQLGZSCYTOG-SECBINFHSA-N 295.839 4.531 30 10 CJEE CCCC#CC[C@H](NCCC)[C@]12CCCC[C@H]1CC2 2273317439 OGXFWTBVJPJYPD-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE C=CCCC[C@@H](NC)c1ccc2ccc(Cl)cc2n1 2277649972 KKAXFDQFNXPCIG-CQSZACIVSA-N 274.795 4.505 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCN[C@@H]1C(C)C 2279459054 FMVVMNZJNKUZAM-FGTMMUONSA-N 283.500 4.512 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cccc(Cl)c2OC)CC1 2283158000 ZTQOYXYPEUFKPP-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(C)ccc1C 2284105290 MACXZKVROIQWEX-SFHVURJKSA-N 269.432 4.560 30 10 CJEE CC(C)(C)C#CC=CCNC[C@]12CCCC[C@@H]1CCC2 2284182063 YXQQFLGDEZUCMH-IEBWSBKVSA-N 273.464 4.542 30 10 CJEE CC(C)(C)C#CC=CCNCc1cc2ccccc2s1 2284182469 DZSOJSHWPSEBEC-UHFFFAOYSA-N 283.440 4.597 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C[C@H](C)C1CC1 2284182681 HJJLUEXEEVFGJP-WMZOPIPTSA-N 275.480 4.787 30 10 CJEE Cc1cc(Nc2nc(C)c(C#N)cc2Cl)cc(C)c1C 2286122054 UTSFOPRRIDCERU-UHFFFAOYSA-N 285.778 4.584 30 10 CJEE C=CCCCCCCCSc1cc(=NCC)[nH]cc1C 2287089230 IQCIJYBJIRWEMV-UHFFFAOYSA-N 292.492 4.862 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1C[C@@H]1C1CCCCCC1 2287373534 WMGXMMIIBCPXLP-KURKYZTESA-N 278.484 4.561 30 10 CJEE CSC1(C#N)CCN(CC[C@@H](C)CCCC(C)C)CC1 2287967786 UQAGKKHKWMOIFP-INIZCTEOSA-N 296.524 4.560 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CC1CCCCC1 2289703979 KKUOURPQCAILEE-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H](CC)CC(F)(F)F 2289788669 DHHXPXZGTFFSKY-LSDHHAIUSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(COC)cc1F 2289885222 FWFRZCRFXBENCZ-QGZVFWFLSA-N 282.399 4.756 30 10 CJEE CC(C)(C)CC1CC([C@H](O)[C@@]2(C#N)CCCC2(C)C)C1 2289933101 DOXMATPTDLWMLK-GULCKSEBSA-N 277.452 4.530 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C1CC(CC(C)(C)C)C1 2289949383 BZRXIMIWHDNTGS-JCYILVPMSA-N 275.480 4.772 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C#N)CCOC(C)(C)C2)C1 2290113970 MBJXINNYKZULQI-JTTJXQCZSA-N 277.452 4.938 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCC2(CC2)C1 2291776899 XKEYQDLZVDVCLL-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CC[C@@H]1CC(C)C 2292794746 FFCBKIYNBSWJRM-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1cc(Cl)ccc1F 2292798013 MPVQPMSWFGGNGI-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE C=CCCCCC[C@](OCCN)(c1cccs1)C(C)C 2292907027 AZQAIWFZSMZBPD-QGZVFWFLSA-N 295.492 4.711 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H](C)C1)OCCCN 2293117309 KEJAYHRBGFIAPF-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE Cc1ccccc1CCOCC1(CS)CCCCCC1 2295164289 PAVHRDDKFSKYPL-UHFFFAOYSA-N 292.488 4.825 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SC(C)(C)CCO)C1 2295246032 XHZFRGPSYBHQMY-ZNMIVQPWSA-N 297.508 4.625 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C1(CC)CC1 2295525130 QUNJHZWYUSYJNR-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCCCN(C)C 2295689151 NFMMDPVXXRBHEA-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCS[C@@H]1C[C@@H](C)C[C@@](C#N)(NC2CC2)C1 2295694000 LQKBONALCPXNOG-DJIMGWMZSA-N 294.508 4.503 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1csc(Cl)c1 2300162891 IBFNUILSCFFTFE-NTZNESFSSA-N 269.841 4.797 30 10 CJEE N#C[C@@H]1CCCO[C@H]1c1c(Cl)ccc(Cl)c1Cl 2301296340 NYGIAHRNKYPCFH-JVXZTZIISA-N 290.577 4.638 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1F)NCC 2310652789 JQQRDOJHVWGOMJ-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=CCC(CC=C)SCc1csc(CNCC)c1 2313524711 NWRNXXDQNBLMCK-UHFFFAOYSA-N 281.490 4.612 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2C[C@@H](SC)C2)CC1 2314263840 YMFLXMQBLPFVNX-IRHLINNNSA-N 268.466 4.694 30 10 CJEE C#CCCCCCCNc1cc(Cl)c(Cl)cc1N 2316832467 LRMSJEOZDVHDGV-UHFFFAOYSA-N 285.218 4.571 30 10 CJEE Cc1nc2ccc(Cl)cn2c1N=Nc1ccccc1C#N 2320770271 AYCRRUQTKKVEEY-UHFFFAOYSA-N 295.733 4.583 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)ccc1C 2321108371 OYHYXCHNBBQPOK-CVEARBPZSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(C)sc(C)c1C 2321119166 XPNQGLTUOVZCMK-OAHLLOKOSA-N 265.466 4.926 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C1CC2(C1)CC(C)(C)C2 2321216905 LAJWMKNPPXAJSM-ZBFHGGJFSA-N 250.426 4.556 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2C[C@@H](C(F)(F)F)C2)C1 2327728946 MQSFYVUJMYGNQY-NDBYEHHHSA-N 259.315 4.685 30 10 CJEE C=CC1(C[C@H](C[C@H]2CC[C@@H]3C[C@H]23)NCCC)CCC1 2329946139 LQUOHMNSYJMVJS-WCXIOVBPSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CC[C@@H]2[C@H]1C2(F)F 2333869868 CBTYSQJGLLUAAE-RBSFLKMASA-N 271.395 4.666 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H]2CC[C@H]1C[C@H]2N 2334442875 QDTHYSWPTGZPSN-NXOAAHMSSA-N 269.448 4.983 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(Cl)cc1F 2338745767 ZMYCASVVWPZAQO-INIZCTEOSA-N 281.802 4.898 30 10 CJEE CCN[C@H](CC#CC1CCCC1)CCCCC1CC1 2341418073 PYVXUFQPWYJPIS-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cccc(C2CCCC2)c1 2341889220 PWDSUNXPXKCVGP-ZWKOTPCHSA-N 255.405 4.571 30 10 CJEE C=C1CC(CC[C@H]2CC[C@@H]2C2CC2)(CNCCC)C1 2342556833 UIZXINSXHOSCLQ-IAGOWNOFSA-N 261.453 4.539 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)C[C@H]3CC[C@H]2C3)c1 2343770589 VCCGINFLRVNEOF-RYQLBKOJSA-N 253.389 4.682 30 10 CJEE C=CCSc1ccccc1N[C@](C)(O)CCCCC 2349381088 MDDJPAOGTJYETN-MRXNPFEDSA-N 279.449 4.665 30 10 CJEE Cc1cscc1N=C1N[C@@H](C2CCC(C)CC2)CS1 2351655905 KGKQWJHWDKYCKG-MMWSSPAHSA-N 294.489 4.575 30 10 CJEE CCCCCCCC[C@@](C)(CC1[C@@H](C)[C@@H]1C)OCCN 2360128200 PHTOCXVBPYRTSR-BQFCYCMXSA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)OCC(=O)c1ccc(C(C)C)cc1 2360321553 AZYCODOLAQYGQV-UHFFFAOYSA-N 272.388 4.530 30 10 CJEE O=C1/C(=C/c2ccc(Cl)cc2)CC[C@H]1C1CCCC1 247870 ZQIKDWRXSACIAJ-UKYUDJEDSA-N 274.791 4.893 30 10 CJEE CCC(CC)CC[C@@H](C)C[C@@H](CC)OCCC#N 5819076 RDJHCPHGTDLKEZ-GDBMZVCRSA-N 253.430 4.938 30 10 CJEE C#Cc1cccc(N[C@@H](CC)c2ccc(Cl)cc2)c1 21041736 KOEQHYOZWWCAFN-KRWDZBQOSA-N 269.775 4.885 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1cccc(C#N)c1 36854782 WZQIHLUQDGNQKE-ZTFGCOKTSA-N 271.404 4.536 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155092 CZGLSLKVGUVZQT-JKIFEVAISA-N 289.444 4.896 30 10 CJEE CCCC(C#N)(CCC)Nc1ccc(Br)cc1 37936205 XXYWSACJFWNGDO-UHFFFAOYSA-N 295.224 4.724 30 10 CJEE N#C[C@H](Cc1c(Cl)cccc1Cl)c1ccccc1 57724517 GLFZVLFUWJYFMY-LBPRGKRZSA-N 276.166 4.843 30 10 CJEE CCCCCCCCNc1cc(OC)c(OC)cc1C 59456321 CAGATANGKBNORC-UHFFFAOYSA-N 279.424 4.785 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCO[C@](C)(CC)C1 70357452 DHUOHKRGHAORKL-WMLDXEAASA-N 291.460 4.724 30 10 CJEE C=CCCCC(=O)C(c1ccccc1)c1ccccc1 71276186 REXRWZYJSRFYJR-UHFFFAOYSA-N 264.368 4.744 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 80141659 YLJSUQQRFNWLPR-QANKJYHBSA-N 286.394 4.633 30 10 CJEE CCc1nc(Cc2cccc3ccccc23)sc1CC#N 82422592 UVPPLVHJXMNGMX-UHFFFAOYSA-N 292.407 4.516 30 10 CJEE C=C[C@@H](NCCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547371 AKCDFXWMSVFZOY-MFJUZZNBSA-N 261.453 4.537 30 10 CJEE C=CCCC[C@@H](CSc1cccc(C)c1)NCCC 97396533 WCLKBPRFSVAITR-INIZCTEOSA-N 277.477 4.812 30 10 CJEE CC#CCC[C@H](NCCC)c1oc2ccc(F)cc2c1C 97417325 MMUOCHVQECNEKG-INIZCTEOSA-N 287.378 4.725 30 10 CJEE CCCCCCCCCCn1c(=O)oc2ccccc21 100869458 HUMGBOURBYCTDV-UHFFFAOYSA-N 275.392 4.735 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C=O 102034777 NUFQFCTZTSOJET-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](C)CC[C@@H]1NCCC 103976084 QHKYIDPISKXNLR-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)ccc1OCCC 107583394 CLHYMBHCRFOVSI-GFCCVEGCSA-N 250.769 4.646 30 10 CJEE CCCCCCCCC1(CNC(C)C)CCOCC1 108619109 AFQJHLAIKWWQQR-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 109723315 NZSIJULFRKBPHV-QGZVFWFLSA-N 273.464 4.698 30 10 CJEE Cc1cc(C)cc(Nc2cc(Cl)ccc2C#N)c1 110253065 ZHDWDCDNHFXZFE-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCN(c1ccc(Cl)cc1C#N)[C@H](C)CC 110256508 IYPNLTSHEQTILY-GFCCVEGCSA-N 264.800 4.617 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC(C)(C)C)C1 110265186 SNTVCJIQWYEVOI-ARFHVFGLSA-N 278.484 4.709 30 10 CJEE CC(C)C[C@@H](C#N)C(=O)C1CCC(C(C)(C)C)CC1 110323593 VRTCRWAIKHXHFP-SLTAFYQDSA-N 263.425 4.594 30 10 CJEE CCCCCCCC[C@@H](O)c1ccccc1OCC 114873204 LBSSQFNWFFWZJA-MRXNPFEDSA-N 264.409 4.869 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(c1)CCCO2 115857014 MVQHKABBGJNAGH-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCOc2ccccc21 116266874 GKWFWSJELNGEIU-NVXWUHKLSA-N 275.436 4.501 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(CC)N(CC)CC 118157628 LIGFYGDUENDCQP-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE N#Cc1cc(Cl)nc(Nc2ccc(Cl)c(Cl)c2)c1 122615846 RJSCUPJYVRCOQU-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCO[C@@H]1C 125187834 SJOADCWDPZGMMR-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](CCC)OCC 125967866 HUNVTNFWYBJIQL-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccnc(Cl)c1 129786658 XSAUOGCSKUFHOG-HNNXBMFYSA-N 297.874 4.770 30 10 CJEE COc1ccc(C#N)c(Nc2ccc(C(C)(C)C)cc2)c1 130399006 GUAQREGIDVWJAI-UHFFFAOYSA-N 280.371 4.608 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(OC)CCCCC1 131002093 FLPYTFKGGGSSFC-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1ccc(C(C)C)cc1 131342210 AUJYNBBPDPYPIW-UHFFFAOYSA-N 279.339 4.677 30 10 CJEE CCCCCCCCCCNC1=N[C@H](C)CCS1 133711780 AGRYSYVXEYAGIR-CQSZACIVSA-N 270.486 4.598 30 10 CJEE CCCCCCCCOc1cccc(SC)c1C(=O)O 137185953 CBSREKSQZTTXBI-UHFFFAOYSA-N 296.432 4.846 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cscn1 158554418 ORQYZFIDQAJQFU-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE C[C@H]1CCC[C@@H](SCc2cc(F)cc(C#N)c2)C1 163776719 BLYBVHWQDKFLBA-XHDPSFHLSA-N 263.381 4.509 30 10 CJEE N#Cc1cc(Nc2cccc(F)c2F)ccc1C(F)(F)F 164423917 RLRSRNQWBPOPSP-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE Cc1cc(C#N)ccc1CNC1CC(C)(C)CC(C)(C)C1 165377161 WYSHARYVHKDZNP-UHFFFAOYSA-N 284.447 4.561 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)OC 224152259 FLGAYLSUHTZYFI-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCCc2cccnc21 229783016 XKSOEKXXZNTDAH-MSOLQXFVSA-N 288.479 4.840 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCC[C@H](C(C)C)C2)CC1 231020664 ZAFFMQOLGMRBMX-IKJBURDNSA-N 277.452 4.674 30 10 CJEE CCCCCCCCNc1cc(C)c([N+](=O)[O-])cc1C 232072070 NMRKJPSGASEQRD-UHFFFAOYSA-N 278.396 4.984 30 10 CJEE CCCCCCCCOc1ccc(Cl)c(C(=O)O)c1 232937617 PJKNECKETLDRIO-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(Cl)cc1C 232938555 ZDIHSPYISBLQIP-HNNXBMFYSA-N 268.832 4.513 30 10 CJEE CCCCN(CCCCC(C)(C)C#N)[C@@H](C)CC 232976155 ZUWHWJGFNWTHPV-HNNXBMFYSA-N 252.446 4.607 30 10 CJEE CCSc1cccc(Sc2ccoc2C)c1C#N 233825611 ICMLSESKGCIINK-UHFFFAOYSA-N 275.398 4.723 30 10 CJEE N#Cc1ccc(-c2cccc(Cl)c2Cl)nc1Cl 236066696 YNFCJGQCOBZDDA-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE O=C(C[C@H]1CCCc2ccccc21)C1=CCCCCC1 236403130 KUBFGEMMEFCUOF-QGZVFWFLSA-N 268.400 4.956 30 10 CJEE CCCCCCCC[C@@]1(CNCC)C[C@@H]2C[C@@H]2C1 250821493 LIFACRIYOMBHJD-FVQHAEBGSA-N 251.458 4.763 30 10 CJEE O=[N+]([O-])c1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 252610518 IBWUQAWUXVCSJN-UHFFFAOYSA-N 295.125 4.652 30 10 CJEE CCO[C@]1(C(=O)C2=CCCCCCC2)CCC[C@H](C)C1 300191359 KHBAFCOPOVOQST-MAUKXSAKSA-N 278.436 4.822 30 10 CJEE N#C[C@@H](c1c(F)cccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 302334827 ILRFSGLVWKZTHC-FIQHERPVSA-N 263.743 4.522 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C/C1=C\B1OC(C)(C)C(C)(C)O1 306611547 LWEWUNGPSOOOOB-CVXIQOAESA-N 278.245 4.636 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCC[C@H](C(C)C)CC2)c1 308156647 RDFDUHHFVBCOOX-DLBZAZTESA-N 270.420 4.884 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccccc2)C1 309643639 PMBTUNVMNZBJJY-IPMKNSEASA-N 298.474 4.863 30 10 CJEE CCC1(C[C@@]2(C#N)CCc3ccccc3C2)CCC1 311604627 DDPHHNQUFFOZJZ-GOSISDBHSA-N 253.389 4.656 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2F)c(Cl)cc1F 311880668 UMRTVPMRAQNSCR-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1 313473075 FJZFYQWQSDRZFL-LBPRGKRZSA-N 270.763 4.579 30 10 CJEE O=CC1(Cc2ccc(F)cc2Cl)CCCCCC1 316945292 HKGILMRXNNQRDD-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316950750 CCDSSLLKINZGMJ-KSSFIOAISA-N 258.405 4.532 30 10 CJEE C=CCCCCCC1(CNCC)CCC(C)CC1 317031922 QJPSNDREJVYRQI-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CC[C@H](CC)C1 318145871 GKXJTCLWCAOMCC-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC1(C)CCC(C#N)(c2ccnc3ccccc23)CC1 380585824 KNGJYGHREBIUSQ-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE C=C(Br)COc1cc(C)ccc1C(C)(C)C 381387486 MNQFYVVYGLXHSW-UHFFFAOYSA-N 283.209 4.580 30 10 CJEE C[C@H](C1CC1)N(Cc1ccccc1)[C@@H]1CCCCC[C@@H]1C#N 385960223 XEYKGBYHSAUIFT-NSISKUIASA-N 296.458 4.760 30 10 CJEE C=C(COCCC)[C@@H](CC1CCCCCC1)NCCC 387551250 UCMMDGIBWUYPHV-GOSISDBHSA-N 281.484 4.698 30 10 CJEE N#CCc1c(Cl)cc(C(F)F)c2ccsc12 396186987 HQGJJXPTJTZACV-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@H](CNc1ccccc1SC(F)F)C1CCCC1 397392638 YPPJXXLLFQEHHF-GFCCVEGCSA-N 296.386 4.743 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)c1ccccc1 686667180 HVQUTDRDWRRTDQ-WMZOPIPTSA-N 271.448 4.689 30 10 CJEE C#CCCCCC[C@@]1(O)CCCCC[C@@H]1C(C)C 686682153 ZOIMBBHTLSNOFD-IAGOWNOFSA-N 250.426 4.538 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)c2cccs2)C1 688343517 YKKAUHUQYHFYLH-MRXNPFEDSA-N 291.460 4.702 30 10 CJEE C=CCC1(NC[C@H](c2ccccc2)C(C)C)CCCC1 690721140 UBGJRROHKMIWEI-SFHVURJKSA-N 271.448 4.905 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1cc(C)cc(C#N)c1 691052093 DPNDEARAGGKHKB-WBVHZDCISA-N 256.393 4.638 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1cc2cscc2s1 693959578 NSHXUFFXTQMCNU-GFCCVEGCSA-N 288.372 4.779 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)cc(Cl)c1 695862517 FEYJVTZXFGDMAP-SECBINFHSA-N 271.191 4.734 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(C)cc(C)c3)C[C@@H](C1)C2 697304468 LCBGUOTZYYJECM-BYICEURKSA-N 255.405 4.850 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCCC(C)(C)CC2)c1 697602647 DLMZIJFRRPCIEI-OAHLLOKOSA-N 256.393 4.638 30 10 CJEE CC1CCC(C=O)(CCCOC2CCCCC2)CC1 699952795 YCRCYXANWGBBHX-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CC(C)CCC[C@@H](O)C1(C#N)CCC(C(C)C)CC1 703980094 SEKXELJRVRHIDN-AQFXKWCLSA-N 265.441 4.530 30 10 CJEE C=CC(C)(C)CCN[C@H](c1ccc(C)cc1)C1CC1 706496258 VFEORPDYBQWUHD-QGZVFWFLSA-N 257.421 4.638 30 10 CJEE C=CCCC(C)(C)CNc1cc(C)c2ccccc2n1 707767651 MAQNWAIVOZEYCH-UHFFFAOYSA-N 268.404 4.948 30 10 CJEE C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CC(C)(C)C1 708295778 UPKOISFHACKPQY-NEPJUHHUSA-N 276.811 4.838 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)CCOc2ccccc21 709239759 YDRWEFFIUYCFFP-RDTXWAMCSA-N 271.404 4.693 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCCC 710640102 FBLAPHVDOYLBQV-BZUAXINKSA-N 271.876 4.817 30 10 CJEE C=CCCCc1c(O)c(Cl)cc(Cl)c1Cl 711289260 QQDZGVXQLGDOMF-UHFFFAOYSA-N 265.567 4.861 30 10 CJEE CCCCCCCCCCC(=O)COC1CCC1 714901796 SVJOJROQBNHFGG-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H](N(C)C)C1 715490487 KNMFWNNWBIKUQQ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](CCCOCc1ccccc1)NC 719196744 CINQDOMIBAFPIC-LJQANCHMSA-N 291.479 4.932 30 10 CJEE C=C1CCC(CNc2nc(CCC)nc(Cl)c2C)CC1 724452831 UXWLLPHGLBNPEM-UHFFFAOYSA-N 293.842 4.549 30 10 CJEE CC[C@@H]1CCC[C@@H]1/N=C1/N[C@@H](C2CCCCC2)CCS1 725077880 PCMBLRLSDDGBGI-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE CCC[C@H](/N=C1/N[C@@H](C2CCCC2)CCS1)C1CCC1 725114759 LLPVYVTXVJGNGD-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE C#CCCCCCC(=O)N[C@H](CC(C)C)c1cccs1 779858731 MCYNGEDCKVGFMH-OAHLLOKOSA-N 291.460 4.535 30 10 CJEE CC/C(=N\OCc1ccccc1C)c1ccc(Cl)cc1 821219423 LYQDWNXBFQFOCB-HTXNQAPBSA-N 287.790 4.979 30 10 CJEE CCCO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821229747 YDXMBDQKMVHILV-FBMGVBCBSA-N 259.393 4.525 30 10 CJEE C=C(C)[C@H](NC[C@H]1CC=CCC1)c1ccc(F)c(F)c1 1178524687 MKJQLXYQRMMZFO-GUYCJALGSA-N 277.358 4.528 30 10 CJEE C#Cc1ccc(NCc2cccc(OCCC)c2)c(Cl)c1 1179706222 MZPHLYLDCIQZFR-UHFFFAOYSA-N 299.801 4.722 30 10 CJEE C=C(C)COc1cccc(NC[C@@H]2CCCC[C@@H]2C)c1 1201186173 PFFCBSJTHYXBIR-HOTGVXAUSA-N 273.420 4.880 30 10 CJEE C=CCC(F)(F)C(=O)N1CCC[C@H]1CCC1CCCCC1 1266154261 IELPJTFVXKURIU-HNNXBMFYSA-N 299.405 4.549 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1cc(Cl)sc1Cl 1272498091 AVNLEHQTKFWNEY-LBPRGKRZSA-N 293.215 4.700 30 10 CJEE C=CC[C@@H](C(=O)Oc1ccc(CC)cc1)c1ccccc1 1347961930 IGPCPVSIPAKUFY-GOSISDBHSA-N 280.367 4.514 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccccc1[C@H](C)CC 1348510535 MEMKRDUWJAMELZ-ZIAGYGMSSA-N 260.377 4.708 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(CCCCC)cc1 1351277626 SZRLCXPDGACQMO-OAHLLOKOSA-N 273.420 4.960 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 1356466836 CBDZOJKXKAXCAF-LJQANCHMSA-N 298.430 4.838 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 1435841087 ZVOVNDILOHLGDS-JFRXWTBNSA-N 299.458 4.677 30 10 CJEE C=CC(C)(C)CC(=O)NC(C)(C)CC1CCCCCC1 1435915793 LFQUUWWDHRMXEZ-UHFFFAOYSA-N 279.468 4.844 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1c(C)cccc1C 1437579001 BTNNRBAMIBYBMC-IAGOWNOFSA-N 285.431 4.569 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2C[C@H]21)c1ccccc1 1438923479 WVLGZQIUBHJLAJ-MKXGPGLRSA-N 297.442 4.636 30 10 CJEE C=C[C@H](C(=O)NCC1(CC(C)C)CCCC1)c1ccccc1 1445626557 KGLVMVZNBVXZDD-SFHVURJKSA-N 299.458 4.679 30 10 CJEE C=CCCC[C@H](C)NCc1cc(OC)c2ccccc2c1 1461390282 MGQKUGZUOFBZBE-HNNXBMFYSA-N 283.415 4.683 30 10 CJEE C=CCN(CCc1ccc(CC)cc1)Cc1ccccc1F 1473118420 HOSBGCAMJXYFKW-UHFFFAOYSA-N 297.417 4.619 30 10 CJEE C=CC[C@@H]1N(Cc2cccc(O)c2Cl)CCCC1(C)C 1474482026 NMXUAHLKOQVWTO-HNNXBMFYSA-N 293.838 4.612 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)CCC1 1516564463 PLNCLYSAIAGDFO-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1519856535 ZUROCSJMEYOBBS-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@H]1CCCc2ccccc21 1522832771 KAMOFIRZEBUMIS-GOSISDBHSA-N 299.458 4.701 30 10 CJEE C=CC1(CC(=O)Oc2ccc3cccnc3c2)CCCCC1 1524936805 SQZVFSCHEYZMBP-UHFFFAOYSA-N 295.382 4.667 30 10 CJEE C=CCN(C(=O)[C@H](C)CCCCCC)c1ccccc1 1525887331 GPRZKIXDBNMZMA-MRXNPFEDSA-N 273.420 4.812 30 10 CJEE C=CCC1(C(=O)N2CCCc3cc(C(C)C)ccc32)CCC1 1526481098 MIDORVOCMWKRLN-UHFFFAOYSA-N 297.442 4.836 30 10 CJEE C=CC1(CC(=O)Nc2cncc(Cl)c2C)CCCCC1 1527478196 PFWBUCJKDDFLFJ-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCCc2c(Cl)cccc21 1528350546 CSFPYECHNBKPNU-UHFFFAOYSA-N 291.822 4.612 30 10 CJEE C=CC1(CC(=O)Oc2ccc(Cl)cc2)CCCCC1 1530396289 OONQCLNRGCZDIO-UHFFFAOYSA-N 278.779 4.772 30 10 CJEE C=C[C@H](OC(=O)CCCCc1ccccc1)c1ccccc1 1532387934 QJQUEOVFHYCBTA-IBGZPJMESA-N 294.394 4.870 30 10 CJEE C=CCC(C)(C)C(=O)OCc1cccc(OC(C)(C)C)c1 1535497770 NYDNGKLPPBRZBB-UHFFFAOYSA-N 290.403 4.509 30 10 CJEE C=CC1(CC(=O)O[C@H](C)c2ccccc2F)CCCCC1 1537631890 VIOWKSOTDBTADU-CQSZACIVSA-N 290.378 4.957 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@H]1CCCC[C@H]1C 1539035741 MSVQTHVKQFXSNZ-IEBWSBKVSA-N 299.458 4.808 30 10 CJEE C=CCCC1(CNC(=O)/C=C/C(=C/C)CC)CCCC1 1557476447 XKMCREADLAOWGM-QJDUYPNCSA-N 275.436 4.542 30 10 CJEE C=CCC1(CNC(=O)c2ccc(C)cc2Cl)CCCC1 1587304922 UDOHOZWGAKRJDR-UHFFFAOYSA-N 291.822 4.515 30 10 CJEE CCCCCCCN1CCO[C@H](c2ccccc2Cl)C1 1615477676 OXBCWFAHPFTXDZ-KRWDZBQOSA-N 295.854 4.684 30 10 CJEE C=C[C@H](OC(=O)C(CCC)CCC)c1ccccc1 1617548648 KEGQRRMOIKGRHX-INIZCTEOSA-N 260.377 4.673 30 10 CJEE C=CCCCCN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 1617611390 RJOUSYVFLYUWAE-FUHWJXTLSA-N 257.421 4.529 30 10 CJEE C=CC[C@@H]1CCCN(C/C=C/c2cc(C)c(C)cc2C)C1 1621430264 BBGCLZNGHJXHFU-QPGLYAHGSA-N 283.459 4.913 30 10 CJEE C=CCCC[C@H](C(=O)N(C)CC1CCCC1)c1ccccc1 1625845684 XFNFMDSUTRZUJI-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C=CCC1(CNc2nc(-c3ccccc3)ns2)CCCC1 1651062839 UHIWSAYBMWUCTG-UHFFFAOYSA-N 299.443 4.754 30 10 CJEE C[C@@H](CCC#N)CNCC(C)(C)c1ccc2ccccc2c1 1652904562 HVQHHNXDEYIGGB-INIZCTEOSA-N 294.442 4.647 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(OC(C)C)c1 1654214923 DJXJCPLOUWMJGK-MJGOQNOKSA-N 287.447 4.698 30 10 CJEE C=CCC1(NC[C@@H]2CC[C@@H](c3ccccc3)O2)CCCCC1 1654518438 NVGRBABQFRZLNP-OALUTQOASA-N 299.458 4.775 30 10 CJEE C=C(C)CCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 1657944278 YAZPCVBKZKKDEH-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CCCC1(CNCC2Cc3ccccc3C2)CCCC1 1658541559 CBMODPANMYMVTH-UHFFFAOYSA-N 283.459 4.518 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCCC[C@@H]3C3CC3)cc21 1658997419 DHTOURKDHDEQJS-MSOLQXFVSA-N 295.430 4.603 30 10 CJEE C=CCCCC[C@H](C)NCCc1ccc(Cl)c(C)c1 1659887086 IVPAOIYDJORVNR-HNNXBMFYSA-N 279.855 4.915 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1CCC 1661124073 IGCZMEIPLPXWQS-INIZCTEOSA-N 286.419 4.602 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)C=CCCC2 1673116958 BPCYVDNTUCXQDX-MRXNPFEDSA-N 284.403 4.512 30 10 CJEE N#Cc1ccc(Cl)c(-c2ccccc2OC(F)(F)F)c1 1848362188 KIRFVCSDUFWAIE-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CCCCCCC[C@H](O)C1CC(c2ccccc2)C1 1875785768 YGFKUKWWMZQKMK-ABHNRTSZSA-N 260.421 4.902 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@H]1C1CCC1 1876591391 UUMUWDHNLLZMPV-CABCVRRESA-N 273.445 4.955 30 10 CJEE CC#CCCC[C@H](O)c1cccc(SC(F)(F)F)c1 1879648919 ZVTNVIUMRHCTCV-ZDUSSCGKSA-N 288.334 4.526 30 10 CJEE CCCCCCCCCC(=O)C[C@]12CCOC[C@@H]1C2 1880535354 CBDZYKRHGOGHMZ-DOTOQJQBSA-N 266.425 4.513 30 10 CJEE C=C1CCC(CN(C)C[C@@H]2CCC[C@@H]2C(C)C)CC1 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CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 251498533 DOKRJCVDUSFNRF-QXDIGNSFSA-N 290.495 4.994 30 10 CJEE Cc1c(Cl)cc(Br)cc1CC(C)(C)C#N 260510659 YURIQUMIFDNPDG-UHFFFAOYSA-N 286.600 4.503 30 10 CJEE N#CC[C@@H](c1ccc(OCc2ccccc2)c(F)c1)C1CC1 260759885 QSOMVJWQZYTISE-QGZVFWFLSA-N 295.357 4.812 30 10 CJEE CCCCCCCC(=O)Cc1sccc1Cl 309289145 NICNYJIZGNEMND-UHFFFAOYSA-N 258.814 4.874 30 10 CJEE C=CCCCCCCNc1cc2nc(C)sc2cc1N 312606046 NTNGEOGGUGSEGK-UHFFFAOYSA-N 289.448 4.735 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCSc2ccccc2)C1 316695645 HYSKXEJPMJKUBH-GOEBONIOSA-N 262.418 4.564 30 10 CJEE CCC[C@](C#N)(Nc1ccccc1Cl)C1CCC1 322454762 JFKJTZKGKGWTTC-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCCCCCC[C@@H]1CC[C@](C)(CNC(C)(C)C)O1 389087377 FUZJGVYHBWLUQP-NVXWUHKLSA-N 269.473 4.673 30 10 CJEE C=CC[C@H](CC)N[C@@H](CC(F)(F)F)c1ccccc1 393755731 WWPFYWMAUCYJLZ-KBPBESRZSA-N 271.326 4.624 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@@H]2C(C)C)C1 395789908 SYTZLDODGRIERJ-BRSBDYLESA-N 276.468 4.605 30 10 CJEE C=C(C)C[C@H](N)c1cc(C)c(OCc2ccccc2)c(C)c1 396446344 PYZFCQNLIGPUES-IBGZPJMESA-N 295.426 4.848 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccc(C)nn1 396975465 RMMDGNMSBKMEKM-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCCCC(C)(C)CNC[C@H](C#N)C1CCCCC1 397129632 PTZSLUIGLZETTQ-KRWDZBQOSA-N 278.484 4.903 30 10 CJEE Cc1scc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)c1C 399771961 NWKJOOYUZNVIAN-ZDUSSCGKSA-N 289.787 4.508 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CCCC[C@H]1C 402442470 NZNXOWMKOVWEDY-FRRDWIJNSA-N 264.331 4.751 30 10 CJEE CC(C)[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512649186 QTYOKKALOUFUQS-AUUYWEPGSA-N 296.389 4.745 30 10 CJEE FC(F)(F)c1ccc(C=NNc2ccc(Cl)cc2)cc1 606346838 CSAFYOGMZGTHSJ-UHFFFAOYSA-N 298.695 4.805 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC 686691817 ULNAGLSBSCXZHA-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 692227175 NCILANMXDSCBJQ-LRDDRELGSA-N 274.795 4.758 30 10 CJEE C=CCCCCCCNc1cc(C(C)C)nc(Cl)n1 692610382 FTVDZSQBNXACQQ-UHFFFAOYSA-N 281.831 4.802 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 695154463 VSMANWGSOGSOLQ-SNVBAGLBSA-N 284.325 4.814 30 10 CJEE CCCCCCCCCOc1c(C=O)ccc(F)c1F 700637587 BBADBSDUSVPMMV-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(F)c1Cl 703998664 ASJJVQZWTKYBQC-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cn1 709385050 ZLJCMJZZCHYBDE-DGCLKSJQSA-N 284.325 4.647 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 710624020 VOQCYEQXBBBWQQ-RRFJBIMHSA-N 257.849 4.571 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC(=O)C1 712704687 UCWVCCILNLVOQD-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CC[C@@H](C3CC3)O2)CC1 715437902 HPJPDUHUYARSJQ-YCHGYYGWSA-N 275.436 4.834 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1NCCCCC(C)(C)C#N 717531213 XMIJCOMHJDCGFQ-GJZGRUSLSA-N 264.457 4.511 30 10 CJEE C=CCCC(C)(C)NCc1csc2ccccc12 717893929 LODGJWXNQSWJFQ-UHFFFAOYSA-N 259.418 4.736 30 10 CJEE C=CCCC(C)(C)NC[C@H]1CCC[C@H](C(F)(F)F)C1 717914947 AQBHKJVXFKRZCN-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NCC)C(C)(C)C2CCC2)CC1 724607879 REEBTKMQBHLUHM-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CSc1ccc2sc(CC#N)cc2c1C(F)(F)F 725316464 XKIGUTQLRXRDEP-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1C 821227233 RWFNSFQVTNUFPC-FMQUCBEESA-N 279.383 4.634 30 10 CJEE CC(C)c1ccc(C=Nc2cc([N+](=O)[O-])ccc2F)cc1 1083965885 VYAQWBCVWDWKNL-UHFFFAOYSA-N 286.306 4.608 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CCC1 1151006065 VNJAEPJNDBIXSH-INIZCTEOSA-N 299.458 4.604 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(OC)c(OC(C)C)c1 1180601995 CXQINQICIQRNCY-AWEZNQCLSA-N 277.408 4.639 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CCCc2ccc(F)cc21 1181348425 FZBGQIJUEIOTGG-WBVHZDCISA-N 261.384 4.538 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c1 1220334851 HWQKRRVYAYHEDS-HNNXBMFYSA-N 294.398 4.945 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H]1CCC1CCCCC1 1266154942 QXYRVPWRLAONGQ-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CC)c(C)c2)CCCC1 1266289451 PTEAKWMOEJAXHT-UHFFFAOYSA-N 271.404 4.632 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@@H](C)CCC=C(C)C 1266594337 GHPCYCUFPFWUND-HOTGVXAUSA-N 265.441 4.620 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(F)c2occc12)c1ccccc1 1279070895 WNZYQTAIGDWODQ-MRXNPFEDSA-N 296.297 4.656 30 10 CJEE C=C[C@H]1CCCCN1CCc1cc(Cl)cc(Cl)c1 1307732003 JULNUYPBQPZHQC-HNNXBMFYSA-N 284.230 4.576 30 10 CJEE C=CCC[C@H](C)NC[C@H]1CCC[C@H]1c1ccccc1 1308785450 CWADNABHIJYTGR-JQHSSLGASA-N 257.421 4.515 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)C1CCC(F)CC1 1308880423 IETLNEQLDRYXNZ-QVOMUQBLSA-N 255.421 4.628 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H]2CCCC[C@@H]2CC)C(C)C)c1 1352614057 UCMVGPCAMSNTBB-PKOBYXMFSA-N 297.442 4.626 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@H]1c1ccc(CC)o1 1353942020 GHRZWNBLMRNGFP-INIZCTEOSA-N 289.419 4.642 30 10 CJEE C=CCCC(=O)Nc1ccc(CCCc2ccccc2)cc1 1434984136 AUOUBHUQRFEJNW-UHFFFAOYSA-N 293.410 4.767 30 10 CJEE C#CC[C@@H](NC(=O)CCCC1CCCCC1)c1ccccc1 1435596735 KQVLKRKJJAQHAI-LJQANCHMSA-N 297.442 4.618 30 10 CJEE C=CCN(CC1CCCCC1)c1cc(C)cc(F)c1C#N 1472739000 MSFNYQVPJOSOQX-UHFFFAOYSA-N 286.394 4.579 30 10 CJEE C=CCCCCN1CCC(Cc2ccc(Cl)cc2)CC1 1473725595 RIRKFHIULRDACA-UHFFFAOYSA-N 291.866 4.951 30 10 CJEE C=CCN(CCC1CCCCC1)Cc1ccc(OC)cc1 1474328500 QWAIFMFRVANXFP-UHFFFAOYSA-N 287.447 4.654 30 10 CJEE C=CCOc1ccc(CN(C[C@@H]2C[C@H]2C)C(C)(C)C)cc1 1474334310 LFKOISMUYBYATN-WBVHZDCISA-N 287.447 4.508 30 10 CJEE C=CCCC1(CN[C@H](C)C2CCSCC2)CCCC1 1474624675 DPIVCYTUCFATDV-OAHLLOKOSA-N 281.509 4.634 30 10 CJEE C=CCCC(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 1522684591 CZMDDKDMVSEXKA-UHFFFAOYSA-N 293.577 4.656 30 10 CJEE C=CC1(CC(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 1524385823 WUNUWMDBMJFNMF-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1coc2ccc(CC)cc12 1531441534 NWSZGXBSHRDKEM-UHFFFAOYSA-N 299.414 4.717 30 10 CJEE C=C(C)CCN(CCC)[C@@H]1C[C@@H](OCC)C12CCCCC2 1559573539 HEWLDFUPCLTJNN-QZTJIDSGSA-N 293.495 4.793 30 10 CJEE CC(C)CCN(CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 1621144408 DNBCJUWUIYUHPU-WOJBJXKFSA-N 298.474 4.759 30 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299.458 4.628 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@H](C)C1CCCCC1 1924106566 CTNJPTHBQNQSPI-MRXNPFEDSA-N 286.415 4.545 30 10 CJEE CCC(CC)CC(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 1926154060 XWXWHGKISNQOKX-KRWDZBQOSA-N 271.404 4.813 30 10 CJEE CCCCCCCC[C@H](N)c1nc(C)sc1C 1941225526 BDQJXQGDJQRAPR-ZDUSSCGKSA-N 254.443 4.510 30 10 CJEE C[C@@H]1CC[C@@](C)(C(=O)C=Cc2ccccc2)C1(C)C 1962724863 UGBGILVRELUECV-KDOFPFPSSA-N 256.389 4.731 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C1CC2(CCC2)C1 1974005397 QGJXOSBBBLFJHH-NSHDSACASA-N 274.795 4.592 30 10 CJEE C=C(CC)C[C@H](NCCC)c1sc(C)cc1C 2000387361 JSONTNNMLXJBGJ-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE CCCCC#CC[C@H](O)c1c(Cl)cccc1Cl 2024343052 SUKRJQSVAOTSFM-ZDUSSCGKSA-N 271.187 4.611 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C(C)(C)C1(F)F 2036164189 UYFOWOUASVJGIR-QWHCGFSZSA-N 262.384 4.779 30 10 CJEE CSC(SC)=C1CCCC(=Cc2ccccc2)C1=O 2040469835 PHSHYIBGAIKRTH-UHFFFAOYSA-N 290.453 4.761 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H](C)C(C)(C)C)C1 2041606681 GYSDSEVOAVFIOF-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(C=O)CCS[C@H](C)C2)C1 2041717996 WPIPZCNHVPZFGT-DGADGQDISA-N 268.466 4.550 30 10 CJEE N#Cc1ccc(CSc2ccc(Cl)c(Cl)c2)cn1 2042231766 XWEPOVKRMDISJJ-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC1CC(C(C)(C)C)C1 2043038225 XXRGRWCCHMAWIC-VXTDNTOSSA-N 250.426 4.844 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccsc1Cl 2045816700 VOKYPXYOOVULEP-CYBMUJFWSA-N 283.868 4.882 30 10 CJEE C=CC1(C[C@@H](O)C2(C)CCCCCCC2)CCC1 2052477178 DLAHGRVHDDZXER-OAHLLOKOSA-N 250.426 4.844 30 10 CJEE O=C(C=C1CCCC1)c1cc2cc(F)ccc2s1 2056932957 FIAOZIXALQDHLA-UHFFFAOYSA-N 260.333 4.724 30 10 CJEE C[C@@H]1CC[C@H](C2(C#N)CCC(F)(F)CC2)C[C@H]1C 2065258386 HSWXNYKTYPTREM-UPJWGTAASA-N 255.352 4.778 30 10 CJEE C=CC[C@H](CNCC(C)C)CC(C(C)C)C(C)C 2069001406 FUMDRUBPHOWIPJ-INIZCTEOSA-N 253.474 4.743 30 10 CJEE C=CC1(CNC[C@H](C)CC(C)(C)C)CCCCC1 2069163099 DRRNSTMDOFWOSG-OAHLLOKOSA-N 251.458 4.785 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H](CCC)C(C)C 2073675843 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PPCAIOYUVWPDEP-IXDOHACOSA-N 269.473 4.517 30 10 CJEE CC#CCC[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277874335 FSCLGRYUMJPXNB-LLVKDONJSA-N 289.366 4.529 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1nncs1 2278236667 NRVIUVWTLSQDIX-KGLIPLIRSA-N 283.485 4.718 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCO[C@H]1C 2278239376 LYEYGAMKGXYHHO-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccsc1 2278241230 CIHYPAXURVDOBE-CVEARBPZSA-N 283.481 4.640 30 10 CJEE C=C[C@H](C)C[C@@H](CCC12CC3CC(CC(C3)C1)C2)NC 2279925440 OCKJNGXDWUZDKZ-RZVNPHJZSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](O)c1sccc1CC 2283092670 UBLMSBZSYQNIPD-HOTGVXAUSA-N 297.508 4.683 30 10 CJEE C=C1CCC(C[C@H](NC)c2c(F)cc(C)cc2F)CC1 2283494064 NFKNUCRMHHLFSB-INIZCTEOSA-N 279.374 4.670 30 10 CJEE CCCc1ccc([C@@H](C#N)NC2CCCCCC2)cc1 2283543184 MBUWKXURWHSUMS-GOSISDBHSA-N 270.420 4.516 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2cc(C(C)(F)F)ccn2)C1 2284104826 GDVBRGUYDSLLBL-MLGOLLRUSA-N 278.346 4.555 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@]1(C)COC 2284711119 PVZJKENJRSRRNN-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1cc(C#N)cc(Cl)n1 2284895908 SNGRKYDKLAPMEV-CYBMUJFWSA-N 294.826 4.838 30 10 CJEE C=CCCCN(CC)CCCCCCCCCCCO 2286806987 UQZQISXVQRTEDN-UHFFFAOYSA-N 283.500 4.778 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CC)C[C@](C#N)(NC(C)C)C1 2287096833 PBKSQNANUNTKOY-ZACQAIPSSA-N 294.508 4.525 30 10 CJEE C=CCCSC[C@@H](NCC)c1ccc(C(C)(C)C)cc1 2287191289 AHZHQRIAJOBLON-QGZVFWFLSA-N 291.504 4.944 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cncc(C(C)(F)F)c1 2287471675 DKXKYPLMDLQSAX-HNNXBMFYSA-N 282.378 4.590 30 10 CJEE C=C[C@@H](C)CCN(C)c1ccc([C@H](C)NCC)cc1Cl 2288897348 ZCBYITNAMGMVRR-KGLIPLIRSA-N 294.870 4.659 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCCC12CCC2 2289858367 AWPZTMNWRVFQSB-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)C1CC(CC(C)(C)C)C1 2289934675 NFQAEBKEXISRIW-AJTLQJAISA-N 279.468 4.920 30 10 CJEE C=CC[C@H](C)[C@](C)(CCCCCCC)OCCC(=O)O 2290703167 FGBUMNZKCOUZBS-RDJZCZTQSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC1(OCCCN)CC(SC)C1 2292646744 LSLPRFABXAXGDM-UHFFFAOYSA-N 299.524 4.533 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1C(C)C 2292655732 OCYVMRBCMBDQEU-KURKYZTESA-N 281.484 4.539 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)C1(CCC)CC1 2292730566 HHBRQVXBXQRDFA-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@](CC)(OCCN)C1CCCC1 2292809148 KIFRQIRKSFNMPO-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cc(C)cc(Cl)c1 2292896734 VFSPDMVTTXBURC-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC1(F)F)OCCN 2293180421 JAEBCVVBYKHIMB-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=CCCCC[C@@]1(OCCCN)C[C@@H](C)CC(C)(C)C1 2293267770 CBVYXKMIXRPOLL-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCC[C@@H]1C(C)C 2293371578 DIFONLQURHBTFN-QZTJIDSGSA-N 283.500 4.907 30 10 CJEE CC#CCCCC[C@](CCC)(OCCCN)C(C)(C)C 2293939178 MUGMZCXLRXPGOV-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCC1([C@H](C#Cc2ccccc2Cl)NCC)CCC1 2295211985 OQUWQRMYNDTSQX-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cncn1C(C)C 2295581355 PRTCZLGAIDEUKM-KRWDZBQOSA-N 280.456 4.812 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C1=CCCCC1 2295598923 MHZMYSNJVIGEDH-GOSISDBHSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COC[C@@H]1C(C)C 2295682850 UWKKNJBKEKHVFI-RCCFBDPRSA-N 283.500 4.776 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 2295691378 LCSQSVVRBFSHQH-CGTJXYLNSA-N 281.484 4.673 30 10 CJEE C=CC[C@H](C)Sc1cc(CNC(C)C)sc1C 2298950759 UIDLICUTUQMOPY-NSHDSACASA-N 269.479 4.611 30 10 CJEE C=CCC[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2307523746 XYXILQCYMHOUHY-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2CC[C@H]1C2 2312896525 QXIDKDWVOUEMKM-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2313213803 FIQPYVYFQTXQDD-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCC#CC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318358693 LGQGYGALQCWSGV-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE C=CC[C@@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2318601278 HPLVBMMVTFIDRO-ABAIWWIYSA-N 286.246 4.726 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1CCCCC1(F)F)NCCC 2319288853 MQKKHDFXJYEYSW-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CC#CCCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2325183558 HWRONGMFRBDUJR-CQSZACIVSA-N 289.177 4.750 30 10 CJEE CCC1=CC[C@@H](Cc2cc(F)c(Cl)cc2Cl)C1=O 2325192981 NVURSTHMGRBGPC-VIFPVBQESA-N 287.161 4.600 30 10 CJEE C=CCCCSC1(C(=O)O)CCCCCCCC1 2327187392 KQUXJDCKXDSZBC-UHFFFAOYSA-N 270.438 4.644 30 10 CJEE CSc1cc(Sc2ccc(F)cc2)ccc1C#N 2328529572 JLBBZFFUQIHGQS-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1CC[C@H](COC)C1 2331333442 NWYIIMUFXSHRFF-IXDOHACOSA-N 269.473 4.517 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]21 2333327845 ILBLUZZDQYXIQJ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC2CCC2)c(C)c1 2335248332 NQWPGXZTMMCYDS-AWEZNQCLSA-N 275.461 4.694 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccccc1F 2337067168 HKDXRZONQQRWFR-RRQGHBQHSA-N 261.384 4.611 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1 2337156564 ZWSHPYXFGMZIDN-DISONHOPSA-N 261.453 4.537 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1C[C@H]2CCC[C@H]1CC2 2339023405 HJAYPFXTMGIDFK-DISONHOPSA-N 262.437 4.988 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(F)ccc1C1CC1 2341790392 QXCBEEWAFCYVRY-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE O[C@@H](CCCCC(F)(F)C(F)(F)F)CCCC(F)F 2342335778 QENWWKAOKVYGQQ-QMMMGPOBSA-N 298.242 4.541 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc2cccc(C)c2o1 2344335856 DEGRKGGAWMWKHX-IAGOWNOFSA-N 257.377 4.733 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc2cnsc12 2344338678 BNUBVAAWRVHLNF-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(F)cc(F)c1 2344371375 JQXHQNBVNMCNKP-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C2(C)CC2)cc1 2344385324 OSFXHIZLTYAJKU-RHSMWYFYSA-N 257.421 4.601 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(C(F)(F)F)c(F)c1 2344421580 SLZIVRGEKBXJKD-UHFFFAOYSA-N 274.257 4.630 30 10 CJEE FC1(F)C[C@]1(CS)CSc1ccc2ccccc2c1 2351843426 ABEADPUMIQERIR-AWEZNQCLSA-N 296.407 4.887 30 10 CJEE C=CCCCCCCCS[C@](CC)(C(=O)O)C(F)F 2351898437 GPPOWKLCSYUROG-AWEZNQCLSA-N 294.407 4.745 30 10 CJEE C=CC[C@@H](C)[C@H](O)CC1CCC(CC(F)(F)F)CC1 2353171419 GFUIGZHYFHAMCO-BLYZHGLHSA-N 278.358 4.708 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2355167273 JZVJQPLAFVZMFZ-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@@H]1C)NCC 2357154811 KCAYSOOCOAVGHF-FJIDUMEYSA-N 283.500 4.512 30 10 CJEE C=CCCCCC[C@@H](NN)[C@@H]1C[C@H]1C1CCCCCC1 2357708163 UJUJMNZACOEJQB-RCCFBDPRSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2358321477 UQNLZRZVXNUYPN-BRIYLRKRSA-N 275.480 4.879 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(F)c(C)c1 2360199805 BSCQLSIZPJNWRL-YOEHRIQHSA-N 295.467 4.873 30 10 CJEE C=CC[C@H](C)S[C@H]1CC(C)(C)C[C@@](C#N)(NC(C)C)C1 2360333562 MEDBJZYAAIWOEN-ZOBUZTSGSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1CNC(C)C 2360369704 XVKFHUFNULETRQ-UHFFFAOYSA-N 293.451 4.937 30 10 CJEE C=CCC(CC=C)Sc1ncc(C)cc1CNCCC 2360374341 IMLCSKQOYUERBA-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE N#Cc1ccc(Nc2c(F)cccc2F)cc1C(F)(F)F 36805591 BYDBZSAOSODNBZ-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2F)C1 37154595 NSJRUOGIGXJEEU-SLEUVZQESA-N 263.381 4.636 30 10 CJEE C#Cc1cccc(N[C@H]2CCSc3ccc(Cl)cc32)c1 37185220 WDNDEORQIALXTL-INIZCTEOSA-N 299.826 4.970 30 10 CJEE C=C(C)COc1c([C@@H](C)NC2CC2)ccc2ccccc12 37710496 JGIBAOZZYPSOBG-CQSZACIVSA-N 281.399 4.608 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)C1CCCC1 41328441 DJAASYVBOCKROT-MRXNPFEDSA-N 257.377 4.616 30 10 CJEE Cc1c(Cl)cccc1N[C@H]1CCCCC[C@@H]1C#N 54823252 BYJKXDCFYQWQQG-DOMZBBRYSA-N 262.784 4.533 30 10 CJEE C[C@@H](c1ccccc1)[C@@H](C#N)c1ccc(Cl)cc1 57746106 QIYCUNDZGJLWGN-BLLLJJGKSA-N 255.748 4.751 30 10 CJEE Cc1ccc([C@H](C#N)Cc2c(C)cc(C)cc2C)cc1 57760601 DKCDHTUQQWZIIX-SFHVURJKSA-N 263.384 4.770 30 10 CJEE CCCCCCCCCOc1cccc(O)c1C 59095871 RBZYOZQIKZZNMZ-UHFFFAOYSA-N 250.382 4.830 30 10 CJEE CCCCCCCCN(Cc1cccc(N)c1)C(C)C 59267396 CLUFXKRZGOHKEQ-UHFFFAOYSA-N 276.468 4.840 30 10 CJEE Cc1ccc(Cn2c(Cl)c(C#N)c3ccccc32)cc1 71464956 FZABKYZHPMRKFT-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CC(C)c1ccc2c(C#N)cn(Cc3ccccc3)c2c1 84875367 AKAMQRKBSDHNPC-UHFFFAOYSA-N 274.367 4.685 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Br)cs1 86061767 MXHOFSIULLZEJU-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCN[C@H](C)c1ccc(SCCC(C)(C)C#N)cc1 87594974 ZZLZONCWPGUTJY-CQSZACIVSA-N 290.476 4.779 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2c(F)cccc2Cl)C1 87996658 ZNATVOUBSANRGL-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=CCOc1ccc(CNc2c(C)cccc2Cl)cc1 90496739 QJDGKHUCUNMQLX-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE CC[C@H](CS)COc1ccccc1-c1ccccc1 94583423 BIHPWTJMAWAWGH-AWEZNQCLSA-N 272.413 4.688 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCC1(CS)CCC1 94584363 XMQZZGNDQLNNBS-UHFFFAOYSA-N 278.461 4.771 30 10 CJEE Fc1ccc(SC[C@@H](CS)c2ccccc2)c(F)c1 94588927 OFGPSJUENGXQRV-GFCCVEGCSA-N 296.407 4.771 30 10 CJEE CCCCCCCCNCc1c[nH]c2ccccc12 105807450 KRYUTSZPKGJGQS-UHFFFAOYSA-N 258.409 4.618 30 10 CJEE CCCCCCCCCCCC[C@H](N)CSC 109742766 RNVAWZZHAVIJSN-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE CCCCCCCCCCN1CCC(CNC(C)C)CC1 110326189 IEKYSKFAXDYYHH-UHFFFAOYSA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@H](O)Cc1ccccc1Cl 111817467 RORIXPFYLVOFTN-AWEZNQCLSA-N 254.801 4.604 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(F)c(F)c1 112890881 HYYNPBDMPJAVHN-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CCCCCCCC[C@H](Cc1cccs1)NC 112897185 FSGIYAPFOIKEON-CQSZACIVSA-N 253.455 4.629 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)NCC[C@@H]1C 114078495 JYFWGMVSZCNNTA-OALUTQOASA-N 296.543 4.980 30 10 CJEE N#Cc1cc(F)c(Oc2cccc(C(F)(F)F)c2)c(F)c1 114749491 CVRBKRJSBBCUGO-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(F)cc1 114871540 SHRQGNZNLLORIY-INIZCTEOSA-N 252.373 4.784 30 10 CJEE CCCCCCC[C@H](C)N1CCC(CCC)(C(=O)O)CC1 115598163 ANPSURZGBGXUOX-INIZCTEOSA-N 297.483 4.702 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OC(F)(F)F)cc1 115652917 IUAQLORBTGOTNC-CQSZACIVSA-N 290.325 4.979 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCCc3sccc32)c1 125682505 FOGFSINFXSUWCX-ZDUSSCGKSA-N 288.803 4.763 30 10 CJEE CCCCCCCCCC[C@@H](Cc1cccc(F)c1)NN 125699062 HTSMGTRUIHZIHN-SFHVURJKSA-N 294.458 4.731 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cccc(C3CC3)c2)c1 127813844 BWJGHOFTKDTMDD-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CCCCCCCCCn1ccc([C@@H](O)C(F)(F)F)c1 128832718 LQLORQLJHPFYPS-CQSZACIVSA-N 291.357 4.834 30 10 CJEE CCCCCCCCCCN[C@H]1CCCN(CC)CC1 129315354 SOFUKTWMIHGEFC-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC[C@@H](CCc1cccnc1)NC 139454285 KCAOYVSWUIUNMF-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@@H](N)c1ncccc1Br 140306732 DJFVMHHWQJJUED-CYBMUJFWSA-N 299.256 4.595 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC1 158333950 YZFDQWANNUJQAX-SMDDNHRTSA-N 296.336 4.958 30 10 CJEE CCCCCCCCNc1nc2ccc([N+](=O)[O-])cc2o1 159389280 UDFPXVVSPADMAI-UHFFFAOYSA-N 291.351 4.508 30 10 CJEE CCCCCCCCN1CCCc2cc([C@@H](C)N)ccc21 162207569 DZFZYGMFLDWSGM-MRXNPFEDSA-N 288.479 4.819 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1 229697899 YLPIDWLGUNGXQY-CQSZACIVSA-N 289.250 4.858 30 10 CJEE C=C(CS)CN1c2ccccc2Sc2ccccc21 231634883 CGSUAYCRTSCCRP-UHFFFAOYSA-N 285.437 4.775 30 10 CJEE CCCCCCCCCCC(=O)COCC(F)(F)F 232354734 CMBALNSRGKIOLK-UHFFFAOYSA-N 282.346 4.665 30 10 CJEE CC(C)CCCCCCN[C@H]1CCCCC[C@H]1C#N 232540734 ULTFRVLQCCOXEW-IRXDYDNUSA-N 264.457 4.655 30 10 CJEE CCCCCCCC[C@H]1CCC[C@H](C(F)(F)F)N1 232927542 BREJDFXOJLEVJZ-QWHCGFSZSA-N 265.363 4.810 30 10 CJEE CCCCCCCCCC(=O)CCC(=O)OCCCC 232928132 VASODWMXMWPVNA-UHFFFAOYSA-N 284.440 4.820 30 10 CJEE CCCCCCCCCCNCC1(C2CC2)CC1 232943631 JXDZNEXBLMCXIW-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE CCCCCCC[C@H]1CNc2c(F)cc(F)cc21 232948762 FGEZVCGCWLVTSU-NSHDSACASA-N 253.336 4.834 30 10 CJEE CCCN[C@](C#N)(CC)CCCSc1ccccc1C 233191951 YZZRSNBWRLBJGC-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE C=CCCCCC[C@@H](NCC)C1(OC)CCC(C)CC1 233600592 ZVDBRINQCIECBN-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCSc1cc(OCC)ccc1N 233798741 STMZSFCRUHPULA-UHFFFAOYSA-N 265.422 4.506 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(F)cc(F)cc1F 234455944 XKFNSEDDEOSZEF-CQSZACIVSA-N 271.326 4.501 30 10 CJEE C[C@H]1C[C@@H](OCCCCC(C)(C)C#N)CC(C)(C)C1 235599447 UVBXBNVLJLZKJM-LSDHHAIUSA-N 265.441 4.938 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](C#N)Nc1ccc(Cl)cc1 235763890 JFMJXSUZEQSLLN-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCCCCCN1C[C@H](C2CCCCC2)NC[C@H]1CC 250830793 QYKVOGJWWKLCIA-RTBURBONSA-N 294.527 4.590 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](OC[C@@H](CS)c2ccccc2)C1 252177489 SHIHRPZKVAAJCE-HDEZJCGLSA-N 278.461 4.541 30 10 CJEE CCOc1ccc(C=Nc2cccc(Cl)c2C)cc1 252460666 HGEVOZLTELLNCE-UHFFFAOYSA-N 273.763 4.798 30 10 CJEE COc1ccc2ccccc2c1C=Nc1ccc(C)cc1O 254751263 WFAJMHYPBDLCCN-UHFFFAOYSA-N 291.350 4.613 30 10 CJEE CC[C@H](C)c1ccc(-c2cnc([C@H](C#N)CC)[nH]2)cc1 259178845 VXSPVSHZSAMYEQ-STQMWFEESA-N 267.376 4.607 30 10 CJEE CC[C@H](C)[C@H](c1ccccc1)[C@H](O)CC#CC(C)(C)C 312211128 ALBQAKKTPBVYEV-CGTJXYLNSA-N 272.432 4.617 30 10 CJEE C=C([C@H](NC)[C@H](c1ccccc1)[C@H](C)CC)C(F)(F)F 312875544 UBZUSZVVMBQHHD-UGFHNGPFSA-N 285.353 4.523 30 10 CJEE Cc1nc(O[C@H]2C[C@@H](C)CC(C)(C)C2)c(Cl)cc1C#N 313037475 FPZXQBAXZURQJC-MFKMUULPSA-N 292.810 4.509 30 10 CJEE CCCCCCCCNC1=N[C@H](CC)[C@@H](CC)S1 313180103 IDSKQZATELDMAS-ZIAGYGMSSA-N 270.486 4.597 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(F)c(Cl)c2)C1 316883033 RJBUJEFIRCOCML-LRDDRELGSA-N 282.786 4.807 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ccc([N+](=O)[O-])cc2Cl)C1 380595744 MKRNUVKPQAEJGN-ABAIWWIYSA-N 292.766 4.610 30 10 CJEE C=CCC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12 381760178 UFPPTYDSTHXENP-UHFFFAOYSA-N 276.811 4.513 30 10 CJEE CCCCCCCCCCC[C@H](CCCCF)NN 381894399 QNOVZGFUBVOEJB-MRXNPFEDSA-N 274.468 4.879 30 10 CJEE C=CCCCCCCN[C@H](CC)c1ccsc1 382063293 AWDXQDTVFMYICJ-OAHLLOKOSA-N 251.439 4.925 30 10 CJEE CC(C)CC[C@@](O)(C1CC1)C1(C#N)CCC(C)(C)CC1 383530960 AYFJUSYVRDQDJN-GOSISDBHSA-N 277.452 4.674 30 10 CJEE N#CC1(c2cc(F)c(Cl)cc2[N+](=O)[O-])CCCCCC1 383868480 ZFSXNCHKPICYGF-UHFFFAOYSA-N 296.729 4.503 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1c(Cl)cccc1Cl 397632226 NVKNNBPGCALLHC-VIFPVBQESA-N 271.191 4.591 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cc(F)c(C)cc1F 398173635 MAYJWOSHWZKOFS-OLZOCXBDSA-N 267.363 4.669 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CC(C)(C)CC[C@H]1NCCC 403866744 RMUTUFNVINVVOC-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](CC)c1cccc(Cl)c1 464571698 RCAYSOCZPDHKEX-SWLSCSKDSA-N 279.811 4.510 30 10 CJEE C=C1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504659472 CDCQHKMEOJJEBD-YRYYUTHUSA-N 286.459 4.866 30 10 CJEE N#CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1F 514263393 WTAOBXJWXIEMDE-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCCC[C@]1(C=O)C[C@H](C)O[C@@H]1C 686428183 BZLYYSDNLGPAHB-ARFHVFGLSA-N 254.414 4.510 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CC[C@@H](CC)C1 686681472 QOYFFKIQVXUHFO-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CC1(C)C[C@@]1(C#N)CC1(c2ccccc2)CCCC1 686734901 IYSSWBAGEPLOJP-SFHVURJKSA-N 253.389 4.828 30 10 CJEE CC(C)(C[C@](C)(C=O)c1ccccc1)c1ccccc1 686735204 PENMMXGDYMJDKF-LJQANCHMSA-N 266.384 4.511 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](CN)C1CCCC1 686980682 OGOJYBPNMMHDIC-ROUUACIJSA-N 283.500 4.643 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccnc(Cl)c2)C1 687982169 RUOMWEWYESVMKK-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE CCC(CC)(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 698379051 LHMYADOKWDJWMK-AWEZNQCLSA-N 296.455 4.740 30 10 CJEE C=CCC[C@@H](C)NCC1CC(C)(C)CC(C)(C)C1 699530561 FLNAZHWMZYJCGL-CQSZACIVSA-N 251.458 4.783 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCCOC2CCCCC2)C1 699952765 XNKIEMXYMYPPJL-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE CCOc1ccc([C@H](C#N)[C@H]2CCCC[C@H]2C)cc1 704940795 MMIIPEOUTZGFHJ-COXVUDFISA-N 257.377 4.519 30 10 CJEE CCCCCCCCCNC[C@@H](CCC)OCC 705314299 HPPGWUOOHSRFAK-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCCC(C)(C)CNc1ncc(Br)cc1C 707765171 FSVTZYKIVXWTSZ-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CC(C)(C)OC1(C)C 709732733 AUCZZJNVULNWSL-JKSUJKDBSA-N 281.484 4.695 30 10 CJEE Clc1ccc(N=Cc2cccc(Cl)c2)cc1 710012549 MPMWUFAKZDOHMA-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)OCCc2ccccc21 710167301 NVBRJXLLXWRKGF-YJBOKZPZSA-N 271.404 4.585 30 10 CJEE C=C(Cl)C[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 712578635 GWUOXIQTSPXNIG-NSHDSACASA-N 298.135 4.762 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)c(C)c1 715707061 VKIULNGEFMIFTE-XHDPSFHLSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1(CC(C)C)CCCC1 715753518 DFEJNTCHUIRGQY-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cscc1C(F)(F)F 717211878 ZQUDEOWVDJTWOC-GFCCVEGCSA-N 277.355 4.774 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccn2nccc12 723577228 FDQQGZBGZOGMPU-QGZVFWFLSA-N 274.408 4.508 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cc(C)oc2C)CC1 724605710 OLPFBCWYVNPTLA-QGZVFWFLSA-N 261.409 4.684 30 10 CJEE N#Cc1c(C(F)(F)F)cc2sccc2c1C(F)F 725291590 UAXCSJVVHMCZHX-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=C(C)CCOc1ccc(C2SCCS2)cc1OC 795198562 BBKGABUQOSPPSM-UHFFFAOYSA-N 296.457 4.519 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(Cl)c1OC(C)C 1126017900 VCPSQFZFAVOPND-LBPRGKRZSA-N 295.810 4.668 30 10 CJEE C#Cc1ccc(CNc2cccc(C3CCC3)c2)cc1 1178817043 IMMBKXDPTMJJAO-UHFFFAOYSA-N 261.368 4.548 30 10 CJEE C=CCCCCCN(C)[C@H](C)c1c(F)cccc1F 1191133187 ODVDIDCDKASEPO-CYBMUJFWSA-N 267.363 4.704 30 10 CJEE C=CCCCN1CCCC[C@@H]1CCCc1ccccc1 1192435462 QYODSXSMMRANEQ-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)cc2C)c(Cl)c1 1203889229 AMOLPHBSIJSZSE-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)CC(C)(C)C 1204046756 ZCZQJNVTSLHDIH-CQSZACIVSA-N 288.435 4.751 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccccc1 1279070960 XFMCIWPHKOKGRZ-SZMVWBNQSA-N 286.415 4.919 30 10 CJEE C=CCCN[C@H](C)c1ccc(Cl)c2ccccc12 1307707567 GBEGEQRHMVKABR-GFCCVEGCSA-N 259.780 4.720 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cnn(CCC(C)C)c2CC)C1 1308685751 ODBLYWYTFYDVJK-CVEARBPZSA-N 289.467 4.648 30 10 CJEE CC#CCCCC(=O)N(C(C)C)C1CCC(CCC)CC1 1352980996 MORTUJCVQLJUHR-UHFFFAOYSA-N 291.479 4.776 30 10 CJEE C#CCC1(C(=O)Nc2ccc(C)c(Cl)c2)CCCCC1 1354112344 XYMKIUHYDOTJDO-UHFFFAOYSA-N 289.806 4.561 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(Oc2ccccc2)cc1 1355259179 INVUPLBYPOTTMY-UHFFFAOYSA-N 296.366 4.987 30 10 CJEE C=CCC[C@H](CCC)NCCCc1cccc(Cl)c1 1462177422 RGVSPLUBHSLQQV-KRWDZBQOSA-N 279.855 4.997 30 10 CJEE C=CC[C@H]1CCN1C(=O)[C@](C)(CC)CCCCCC 1472260722 DFMDSOKGTFTFSH-DOTOQJQBSA-N 265.441 4.550 30 10 CJEE C=C(C)CCSc1ccc(C#N)c(C(F)(F)F)c1 1473010779 MKUZVKQQPSJZPR-UHFFFAOYSA-N 271.307 4.635 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OC(F)F)cc1 1473637392 GFLOSLSXFOAHDY-ZBFHGGJFSA-N 295.373 4.513 30 10 CJEE C#C[C@H](NCc1c(Cl)cccc1SC(C)C)C(C)C 1474507207 GJUDBNRIQBIDSZ-HNNXBMFYSA-N 295.879 4.588 30 10 CJEE C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 1518324668 FVLGYMILKCEJDI-QRWLVFNGSA-N 299.458 4.560 30 10 CJEE C=C(C)CCC(=O)N(C1CC1)[C@H](C)c1ccccc1Cl 1524921616 CIADSJIQDBHCKR-CYBMUJFWSA-N 291.822 4.748 30 10 CJEE C=CCC[C@H](C(=O)N(C)CCC(C)(C)C)c1ccccc1 1526612438 JUDNCZKHYAPCSP-KRWDZBQOSA-N 287.447 4.631 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)c(F)c(Cl)c1 1531809285 UEEULNFHIPZIFB-MRVPVSSYSA-N 290.165 4.673 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCCC[C@H](C)C1)c1ccccc1 1537559215 CETIECDWPJNGNS-PKOBYXMFSA-N 299.458 4.775 30 10 CJEE C=C1CCC(CNC(=O)CCCC2CCCCC2)CC1 1537681710 RAODITFIHRJWQQ-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CCCC(C)(C)CNc1nccc(Oc2ccccc2)n1 1559253346 USAKXCMHSLBYNH-UHFFFAOYSA-N 297.402 4.673 30 10 CJEE C=C[C@H](CC(=O)N1CCC(CC)(CC)CC1)c1ccccc1 1567793647 NLTIMZGVVABIQE-QGZVFWFLSA-N 299.458 4.775 30 10 CJEE C=CC(C)(C)CCCNC(=O)C=C(CCC)CCC 1583868862 GUQPYRVBALYBJK-UHFFFAOYSA-N 265.441 4.622 30 10 CJEE C=CCC(CC=C)C(=O)N(CC(C)C)c1ccc(C)cc1 1597964262 ATWSRWYPQFJUPA-UHFFFAOYSA-N 285.431 4.752 30 10 CJEE C=C(C)CCNC/C(C)=C\c1ccccc1C(F)(F)F 1620945765 UGTPBTJHCNQLNN-RAXLEYEMSA-N 283.337 4.665 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCC[C@@H](CC)C1 1621219491 ARBDBORKYQTJIP-HZPDHXFCSA-N 277.477 4.953 30 10 CJEE C=C(CC)CN[C@@H](c1ccc(CCC)cc1)C(C)C 1642363487 QHWVEORENZWFBI-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C=CC[C@H](CC)Nc1ccnc(-c2cccc(Cl)c2)n1 1642680754 NCYBTWVVGKYBOZ-AWEZNQCLSA-N 287.794 4.564 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCc1ccc(Cl)cc1 1643802344 DCIYFLBCVVHRFR-SJLPKXTDSA-N 291.866 4.997 30 10 CJEE C=CCCCCCN(C)CCCc1ccc(C)cc1 1644669725 TYLVSRBDAFXNCS-UHFFFAOYSA-N 259.437 4.606 30 10 CJEE C=C(C)CN(CCC)[C@@H](C)c1ccccc1Br 1652302424 PFIABIFOIGYNLJ-ZDUSSCGKSA-N 296.252 4.798 30 10 CJEE C=CCCC[C@@H](NCC1CCSCC1)c1ccccc1 1653028118 CYQCIFAYHGVRRR-GOSISDBHSA-N 289.488 4.817 30 10 CJEE C#CCCCCCCN[C@H](C)c1cccc(OC(C)C)c1 1653085881 CAFPZHPTZMTHND-QGZVFWFLSA-N 287.447 4.708 30 10 CJEE C=CCC1(CNCc2cc(F)cc(Cl)c2)CCCC1 1657956021 OLVBMOZLIIDMLW-UHFFFAOYSA-N 281.802 4.705 30 10 CJEE C=CCOCCN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 1657994215 RJCUWTNMOXREQA-INIZCTEOSA-N 295.854 4.610 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)c(C)cc1O 1659641831 KXKWJMYUYXJKAR-CJNGLKHVSA-N 293.838 4.579 30 10 CJEE C=CCC[C@H](CC)N[C@@H]1CCc2ccc(Cl)cc21 1660404370 YOKWCCFWPAUYOJ-GOEBONIOSA-N 263.812 4.662 30 10 CJEE 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30 10 CJEE C=C(Cl)C(=O)CC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2216736165 GPQKOWJMCYKUAM-MELADBBJSA-N 254.801 4.695 30 10 CJEE N#CC1(CC2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2218377902 LOUDZQFCNBYGAL-YHWZYXNKSA-N 253.336 4.532 30 10 CJEE CCCCCCCCN(C)[C@H](C)c1scnc1C 2222078615 AFCSPYUUXFPWRF-CQSZACIVSA-N 268.470 4.805 30 10 CJEE CCCCCCCCCCOCCC[C@@H](O)CC 2223232037 XXUFASVDVQMEFP-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 2224953885 ZHRXKVIAXWEHNC-YQQAZPJKSA-N 266.425 4.511 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1(C)CCCCCC1 2225432972 CRFREVFBALDIAN-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE CCCC#C[C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C 2225436817 PMLROXRFRRMJCS-BQFCYCMXSA-N 263.469 4.621 30 10 CJEE CC1(C)C[C@@]1(C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2225691253 YOKSIPOOZKTUHQ-NHYWBVRUSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ncc(CC)s1 2227268423 PLHDHUNHALZKCW-HNNXBMFYSA-N 280.481 4.883 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@@H]1C1CCC1 2227275969 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FSTLCLFNMICTFM-ZDUSSCGKSA-N 263.812 4.854 30 10 CJEE C=CCC(CC=C)[C@@]1(N)C[C@@H](C)Sc2sccc21 2316735394 BDPMMKUIAVSKTK-ABAIWWIYSA-N 279.474 4.555 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)C(=C)[Si](C)(C)C 2321128818 WMQTZRATWSNKCN-JKSUJKDBSA-N 267.533 4.781 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Cl)cc1 2321130411 IYTTYCRIYNDTHI-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC[C@H](C)C1)NCC 2321144979 LZRSVNGVVCAAKC-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE Cc1ccc(C)c(C(=O)C=Cc2ccc(O)c(Cl)c2)c1 2325792070 DGEKJOGNYDHNOU-UHFFFAOYSA-N 286.758 4.559 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 2328632269 FCCUVGXZDGOPQN-BRSBDYLESA-N 261.453 4.537 30 10 CJEE CCCC[C@](C#N)(CC)Cc1cnc(C(C)(F)F)s1 2335674993 UAVYVFOVVZELNZ-CQSZACIVSA-N 286.391 4.907 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(COC)s1 2336735029 HCQGEZWCBTYDOQ-MRXNPFEDSA-N 283.481 4.819 30 10 CJEE CC(C)CCC[C@](C)(O)[C@@]1(C#N)CCCCC1(C)C 2337652323 YKQMLWZLRDWVCB-DLBZAZTESA-N 265.441 4.674 30 10 CJEE CC(C)(C)C#CC=CCc1cc(F)ccc1C(F)F 2338277864 YWAKSVHSLNNMHG-UHFFFAOYSA-N 266.306 4.912 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338786677 HSJNNMABEHBUFH-KFGODFMUSA-N 263.469 4.783 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339274668 JDMYZVDTMLRCLJ-XLMAVXFVSA-N 260.421 4.764 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339277575 JHULTGBEVAZPDU-DZVNLGKHSA-N 260.421 4.764 30 10 CJEE Cc1cnccc1COCCCCCCCCCS 2340173829 YPOZYVQFMBSAJX-UHFFFAOYSA-N 281.465 4.567 30 10 CJEE CCCCCCC[C@@]1(C)NCC(C)(C)[C@H](C(C)C)O1 2340440251 JQECSZDJMMXOHT-RDJZCZTQSA-N 269.473 4.734 30 10 CJEE C=C(C)C[C@H](C[C@@]1(C)CCCCC1(F)F)NCCC 2341928060 DPBFGRWOUDJNHE-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=CCCC[C@H](NCCC)c1csc(C(C)(C)F)n1 2342051100 JXFCQDMEADEMTI-LBPRGKRZSA-N 284.444 4.745 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(COC)s2)CC1 2342136124 IPEKMCVOWZUHQK-UHFFFAOYSA-N 277.433 4.547 30 10 CJEE C=CC1(CNC[C@H]2CC[C@H]2C(C)(C)C)CCCCC1 2343268604 MTPNNIVWBDCGAR-HZPDHXFCSA-N 263.469 4.785 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H](CC1CC1)C1CC1 2344341292 AMDMVNYPBSRBFW-KURKYZTESA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)ccc1F 2344341940 GDFJNZOPYYNPFH-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(OCCC)cc1 2344465034 XKAQXJCTHVMORO-IAGOWNOFSA-N 262.393 4.501 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1ccc(Cl)c(F)c1)C2 2344990157 FMSUSKVERHRQPY-UHFFFAOYSA-N 277.770 4.841 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCC[C@H]1C(C)C 2355576882 YBCCOFVPHMIGBJ-KSZLIROESA-N 277.496 4.867 30 10 CJEE Cc1c([C@H](C)Nc2ccccc2C#N)oc2ccccc12 37202972 BSHANKHTCJKOKT-ZDUSSCGKSA-N 276.339 4.786 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1csc(C)n1 37766802 HSDPKTUGKLICOW-NSHDSACASA-N 290.457 4.903 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1ccccc1 52858331 XOSCCVAPVRQYCO-HNNXBMFYSA-N 270.763 4.775 30 10 CJEE N#Cc1c(F)cccc1Oc1ccc(C(F)(F)F)cc1 57797451 KLTSUDVVYREQOC-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCCn1c(C(=O)O)cc2ccccc21 59089571 JYCWJRAMUULXRI-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE CCCCCCCCOc1ccc(C)cc1[C@H](C)N 59295504 KCXQDNZBRYKQRS-HNNXBMFYSA-N 263.425 4.754 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OCCOC)cc1 59469110 IDCXISRETUTAQE-INIZCTEOSA-N 293.451 4.873 30 10 CJEE C#Cc1cccc(NC(=O)C2CCC(CCCC)CC2)c1 70139900 UVNSIXNUKJXZDK-UHFFFAOYSA-N 283.415 4.603 30 10 CJEE C=CCC[C@H]1NCCc2ccc(Oc3ccccc3)cc21 83708812 DJYMBSCYMCLSOO-LJQANCHMSA-N 279.383 4.632 30 10 CJEE C[C@@H]1CC(Oc2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)C1 84961152 IUCCVZJDNSFOKJ-QWRGUYRKSA-N 297.320 4.781 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@@H](C(C)C)CC2)c1 86949161 QSBMBTNSCJESDL-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE C[C@H]1C[C@@H](OCCCC(C)(C)C#N)CC(C)(C)C1 87608979 YKOAYHBTYSQYOR-UONOGXRCSA-N 251.414 4.548 30 10 CJEE CCCCCCCCCCCc1nnc([C@@H](C)N)s1 91252573 CQSGYAGENHYVNS-CYBMUJFWSA-N 283.485 4.631 30 10 CJEE CCCc1c(-c2coc3ccccc23)sc(C#N)c1N 93074517 AOBYSYPRLQQXMT-UHFFFAOYSA-N 282.368 4.568 30 10 CJEE CCCC[C@@H](CC)[C@H](O)C#Cc1cccc2ccccc12 95633210 SXRWLOVZLILALC-OXQOHEQNSA-N 280.411 4.769 30 10 CJEE CC[C@@H]1CCCCN1CCCCCCCCCS 97799206 YUJOCQOVYRHYEO-MRXNPFEDSA-N 271.514 4.911 30 10 CJEE CCCCCCC[C@H](O)c1ccc(Br)cc1 109306959 MUZFFRNVLQDPDE-AWEZNQCLSA-N 285.225 4.843 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1ccc(F)cc1 110187159 IDGXHUDEBJUAAD-QGZVFWFLSA-N 279.443 4.954 30 10 CJEE CCCCCCCCC1(CNCCC)CCOCC1 110214566 YTLWKLLZPVTPFH-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCCCn1cc(C[C@@H](C)N)cn1 110268200 QLGIMHNYTUTYBF-QGZVFWFLSA-N 293.499 4.694 30 10 CJEE Cc1ccc(Sc2cc(Cl)ccc2C#N)cc1 110353987 PEMAUWZAGNJABX-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H](CC)CC1 112756694 CRSFGQIYWBZZNJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](Cc1ccccn1)NCC 112891711 CNFUFCPLICVZCA-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCCCOC(CCC)(CCC)C(=O)O 114390863 LYFMKQZEHHDKMO-UHFFFAOYSA-N 272.429 4.787 30 10 CJEE CCCCCCCCN1CCCN[C@H](C2CCCCC2)C1 115264719 XNUIFXGKAZQNAR-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCC[C@H](O)c1cnn(-c2ccccc2)c1 115651531 RADLWNYZMQUZAB-SFHVURJKSA-N 286.419 4.656 30 10 CJEE C[C@@H]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122419990 QWTZNACRHCPEBD-PWSUYJOCSA-N 283.293 4.535 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](CCC)OCC 126196727 STLANUAXDARYAZ-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE Cc1ccc([C@@](C)(O)C2(C#N)CCC(C(C)C)CC2)s1 127287700 XBKYAHWKHQZXSW-ARWYELJZSA-N 291.460 4.620 30 10 CJEE Cc1cccc(C2CC(Nc3cc(C#N)ccc3Cl)C2)c1 127742989 FGDIXRUEFFYAHS-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE C=CCCCN(C)c1ccc([C@H](C)NCCC)c(Cl)c1 135985466 LNVGVLFKWBEJRL-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H](C)COC)NC 143473657 MKLOKRNIMMYKQJ-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CC)CC[C@H]1CNCCC 156059218 YTVREXFRNMTOTI-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCNCC1(CO)CCCCC1 157525545 DTQAROBCVLXUDQ-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE C=C[C@@](C)(CCCc1ccccc1)CNC(C)(C)C 158900614 CCYFFJNUBKZWPZ-SFHVURJKSA-N 259.437 4.590 30 10 CJEE CCCCCCCCNc1c([N+](=O)[O-])ccc(F)c1F 159389972 IGWYAUQWHSWPMZ-UHFFFAOYSA-N 286.322 4.645 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)ccc2F)C1 165712592 WAPPOIMPHJZAHZ-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165722427 FGXIULLSPVFHNY-HZPDHXFCSA-N 265.441 4.530 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 184862359 OPCFRGOJQDKHFU-SECBINFHSA-N 272.175 4.534 30 10 CJEE N#C[C@H](C(=O)CC1CCCCC1)c1cccc(Cl)c1F 213688570 CTYNKYRSPZPOGL-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE C=CC[C@H]1C[C@@H](CCC)CC[C@@H]1CNCC(C)C 219556621 KMNKMPUKCOKCLG-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCOc1cc(F)cc(CO)c1 223474064 SHGQZZLVTDTFDU-UHFFFAOYSA-N 282.399 4.838 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@@H]32)cc1 226674029 PYGSQIYNWCXQEZ-UWVAXJGDSA-N 286.378 4.693 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)C[C@@H](N)C1 227688402 BISBKRSYHAQTGN-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CC(C)C(C)(C)CNc1ccc(C#N)c2ccccc12 232804642 MCNZLJPBCOSMQN-UHFFFAOYSA-N 266.388 4.806 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCCCCC2)cc1Cl 235912481 CUGASDHAEXRTEQ-HNNXBMFYSA-N 277.795 4.546 30 10 CJEE O=C(CSc1ccccc1Cl)C1=CCCCC1 236058679 KMYLYISCZPULKE-UHFFFAOYSA-N 266.793 4.502 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cc(Cl)ccc1Cl 236060427 WMQDKZAYUOWRIC-HNNXBMFYSA-N 297.229 4.870 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@H]2CC[C@H]1C2 250829091 PMTUTZLBRSRRLX-YESZJQIVSA-N 251.458 4.763 30 10 CJEE C[C@@H]1O[C@@H]1[C@H](C)Cc1c(Cl)ccc(Cl)c1Cl 253486526 XTTFIACEZACULM-KEHGIVTQSA-N 279.594 4.613 30 10 CJEE CC(C)(C#N)Cc1cc2c(Br)cccc2s1 260266577 LFMRBPMPUHPUAN-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@H]1C 300284145 NGTLYXQTOMUEAN-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C#Cc1cc(-c2ccccc2Cl)ccc1Br 309207877 DNFTZOPHURNUEL-UHFFFAOYSA-N 291.575 4.751 30 10 CJEE C=CCS[C@@H](C(C)C)[C@H](NCCC)c1ccccc1 311595629 YPTKEJAJPDSNFB-SJORKVTESA-N 277.477 4.671 30 10 CJEE C=CCCCN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 311970737 KVMOOOUERVCFPA-BPQIPLTHSA-N 257.421 4.515 30 10 CJEE CC(C)(C)C#CCC1(C(=O)O)CCC(C(C)(C)C)CC1 312226674 IBBGLAOFAZJSBD-UHFFFAOYSA-N 278.436 4.733 30 10 CJEE CCCC1CCC(C=O)(CCC(F)(F)F)CC1 316928189 XWBKFUJMKFBOPP-UHFFFAOYSA-N 250.304 4.505 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2c(Cl)cccc2Cl)C1 317383832 XLRLKURMIGMIRV-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE Cc1cc(C)c(CC2(C=O)CCC(C)(C)CC2)c(C)c1 318898160 JLJGMFOKLSXOFJ-UHFFFAOYSA-N 272.432 4.940 30 10 CJEE CCC[C@](O)(C1CCC1)C1(C#N)CCCCCCC1 322930092 NCPHUBAKQGWKSO-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(COCCC(C)(C)C)C1 328153859 GBDOBMFNXGDNDO-ZBFHGGJFSA-N 251.414 4.549 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CSc2ccccc21 384910328 YJHOBHDOVCAMEL-CKEIUWERSA-N 271.429 4.986 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCCC(F)(F)C1 387464110 SFPJXERLCOJBAA-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@H](CC)CCCC 387584935 QVIMPKXDOOYGIR-SJORKVTESA-N 269.473 4.552 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)C1CCCCCCC1 387628722 SSBWXQLUIWAVCZ-SFHVURJKSA-N 281.484 4.696 30 10 CJEE C=CC[C@H](CC)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 393746651 KNAFCTUKSMTHQC-QMMMGPOBSA-N 289.162 4.668 30 10 CJEE C=C(CC)COc1cccc(CNC(C)(C)C)c1Cl 394226786 BCODKLNDYPTXNM-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H]1CC2CCC1CC2 394518989 SNZXVLGSRAVJDO-BHUNQDJPSA-N 252.442 4.924 30 10 CJEE N#CCc1c(Cl)c(C(F)F)cc2sccc12 396187874 JOEACFDCEMGIKK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)NCc1c(Cl)oc2ccccc12 398206620 YHQILPLSDIFZBQ-GFCCVEGCSA-N 277.795 4.921 30 10 CJEE CCCCCCCCC[C@@H](CC(C)(C)C1CC1)NN 405806127 WQZVBNYVNPJFOW-INIZCTEOSA-N 268.489 4.785 30 10 CJEE C[C@@H](NCC1(CC#N)CC1)c1cccc(-c2ccccc2)c1 430737763 CHDPDIPABHEADL-MRXNPFEDSA-N 290.410 4.698 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1cccs1 464563654 NLUSLEGMNINCQE-CYBMUJFWSA-N 285.412 4.956 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2nccs2)C1 651693858 GTNPDFJKBIAUEX-OIISXLGYSA-N 298.455 4.567 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H](CC)CC(F)F 688708506 KATNVDRWBWTCOD-SWLSCSKDSA-N 261.400 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288.435 4.826 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H](c1ccccc1)[C@@H](C)CC 124727118 DBQOODKWJZFVEA-YSIASYRMSA-N 285.475 4.988 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NN 125476293 ZFOLSVDZWFLMAN-KRWDZBQOSA-N 296.886 4.855 30 10 CJEE CCCCCCCCCCNc1ccc(N)cc1C(=O)O 129452694 SOZBFXDBVGZNAS-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE CCCCCCCC1(CNCCC)C[C@H]2C[C@@H]2C1 157455314 DGKPTRRXQVNKSA-HZPDHXFCSA-N 251.458 4.763 30 10 CJEE Cc1ccc(Oc2cc(C#N)cc(C)n2)c(C(C)(C)C)c1 161148715 XIGQAYJRKVPBJR-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cccc(Cl)c2F)CC1 167059621 GPXUANQEVNDLTL-CQSZACIVSA-N 295.785 4.623 30 10 CJEE CC#CCC[C@@H](CSc1cccc(Cl)c1)NCCC 168175274 JXKMHHKXEYBZIJ-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@@H]2CCCC[C@H]21 217986033 MZSTTWGOWLTRCD-IPMKNSEASA-N 294.527 4.719 30 10 CJEE CCCCCCCN(CCC)[C@]1(CN)CCC[C@@H](C)C1 218849820 QELPLXNGJNJFLF-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](O)c1cnccc1C(F)(F)F 225540516 ZOKQSDMQNCSGBI-AWEZNQCLSA-N 289.341 4.884 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCC[C@H]1N 226486540 QYTUEWWFBWGXFT-DLBZAZTESA-N 281.484 4.994 30 10 CJEE CC1(C)CCCC[C@@H]1C(=O)[C@@H](C#N)c1cccc(Cl)c1 226592311 MWTRBJXKHQIGHZ-LSDHHAIUSA-N 289.806 4.733 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 227282443 ZTXHWLLHWKECKE-HZSPNIEDSA-N 258.471 4.564 30 10 CJEE N#Cc1cccc(Nc2ccc(Cl)cc2Cl)c1 227604463 HRDBHOHJLMPONQ-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCCCCCCCCC(=O)C1(O)CCCCC1 232915361 JPMBNYUGPKPGPN-UHFFFAOYSA-N 268.441 4.782 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cscc1C 233610558 SVJIIKYLTGZDIQ-OAHLLOKOSA-N 251.439 4.844 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(Cl)c2Cl)CC1 235618140 NSLVRBGJVILLHO-SECBINFHSA-N 269.171 4.923 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2ccccc2n1 236394298 KUYWRGNNHPBNFS-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)/C=C/c1ccccc1 238126692 BPELXKISWLRPPM-CLVCIHKQSA-N 299.414 4.678 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@H]1CC(C)C 250814269 IOFJPWSHXPDINK-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE Cc1ccc2c(c1)c(CC(C)(C)C#N)cn2C(C)C 260105253 FFGUUPNQWNKDQC-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC(C)CCN(CCC(C)C)[C@@H]1C[C@H](C)CC[C@H]1C#N 300451386 MNTOAAHHROADBT-FGTMMUONSA-N 278.484 4.709 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CCCC(F)(F)C2)CC1 305925680 CNKDKRIOJDWZHW-MOKVOYLWSA-N 255.352 4.922 30 10 CJEE C=C([C@@H](CCCCCCCC)NCC)C(F)(F)F 311208521 NWLBRBJGFFMUTG-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE C=CCCC[C@@H](NCCC)C(C1CCC1)C1CCC1 311368559 QQPLRJRYAXAZSJ-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE N#CC[C@@H]1CCC[C@@]2(CCCC[C@@H]2c2ccccc2)O1 312356843 KQWQLVKCOBDJRC-RCCFBDPRSA-N 269.388 4.566 30 10 CJEE CC1(C)CCC(C[C@]2(C=O)CCc3ccccc32)CC1 316620462 LCPPDOMVZXYRGH-IBGZPJMESA-N 270.416 4.676 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2csc3ccccc23)C1 316687919 YGNARKFGZAPFHU-SUMWQHHRSA-N 272.413 4.839 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C=O)CCCc2ccccc21 316800338 RXSHCXGNWGFTFW-AYBZRNKSSA-N 270.416 4.676 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCC2(CCCCC2)O1 316947162 HOWIPURXPSBLJI-BRWVUGGUSA-N 278.436 4.654 30 10 CJEE C=CCCCCC[C@]1(C=O)CCCc2ccccc21 317031589 QSQBUZQPIONHLK-GOSISDBHSA-N 256.389 4.596 30 10 CJEE C=CCCC[C@]1(CNC(C)C)CCC[C@@H](CC)C1 317385856 AITCVEGNANJFLE-SJORKVTESA-N 251.458 4.927 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1cccc(Cl)c1 319662602 FXPABZBJAKHFAX-GWCFXTLKSA-N 253.798 4.616 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C#N)c(Cl)c1 380129268 MUDVUUDCMHKPBR-UHFFFAOYSA-N 292.810 4.901 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc2ccccc2c1 393737541 AWVZKTXBMFYLDE-KBXCAEBGSA-N 253.389 4.845 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cc2ccccc2s1 393774947 DMDNVKQBQHPFDC-JSGCOSHPSA-N 259.418 4.907 30 10 CJEE C=CC[C@H](CNCC(C)C)Cc1c(C)cc(C)cc1C 395503227 SJHDFWCBPPXMKB-SFHVURJKSA-N 273.464 4.592 30 10 CJEE N#C[C@H](CSc1nc2ccccc2o1)C1CCCCC1 397139061 WYYADPHYDCJUOD-CYBMUJFWSA-N 286.400 4.640 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1nc2ccccc2s1 397553978 IFOXFOZRCRAPKX-SNVBAGLBSA-N 276.430 4.574 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 398084742 UBUBAISRDNOIKT-QWRGUYRKSA-N 257.830 4.797 30 10 CJEE C=CCCC[C@H](C)NC1CC(c2ccc(C)cc2)C1 398180206 NXBVMSNGCLPCSS-ZLPCBKJTSA-N 257.421 4.575 30 10 CJEE C[C@@H](C[C@]1(C#N)CCc2ccccc2C1)C1CCC1 398701089 JWZTXGWZBQKGCS-KBXCAEBGSA-N 253.389 4.512 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC[C@H]2CCOC2)CC1 401019928 WWJOZNCYPOGCDT-UQPPLGOBSA-N 263.425 4.549 30 10 CJEE Cc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1C 512659394 GLYWSARMPSDJPP-HUUCEWRRSA-N 296.389 4.726 30 10 CJEE Cc1c(C(C)(C)C#N)[nH]c2ccc(C(C)(C)C)cc12 527395862 DVALDOKVCSMCQG-UHFFFAOYSA-N 254.377 4.575 30 10 CJEE C#CCCCCCC(=O)CSc1cccc(Cl)c1 686688167 FQRZXONLZAISSD-UHFFFAOYSA-N 280.820 4.585 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc(Cl)sc1Cl 686697309 KOSHEQGSGRKXKB-LLVKDONJSA-N 290.259 4.899 30 10 CJEE C#CCCCCC[C@]1(CNCC(C)C)CCC[C@H]1C 686703196 XDKNSQXDCNXXRC-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE C[C@H](CC1CCCCC1)Nc1cc(Cl)ccc1C#N 689776280 FQPDNZQDTTZATM-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)[C@@H](N)CC2 690779549 ZESGIHYTGPNDRQ-SFHVURJKSA-N 275.436 4.762 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@]12CCC[C@@H]1C2 693739068 YVSDIHCTACXZEW-WBVHZDCISA-N 283.525 4.625 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@H](C)CO 696759731 SIPVWFDBZCBEAL-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE C=CCCCCCNCc1c(Cl)cccc1Cl 696889487 AXGBSSBQHYSHEX-UHFFFAOYSA-N 272.219 4.829 30 10 CJEE C=C1C[C@H]2CC(NC(C3CCC3)C3CCC3)C[C@@H](C1)C2 697316009 QTCQPNRZOSFLAC-MVVMVCHASA-N 273.464 4.680 30 10 CJEE CCCCCCCCC(=O)c1csc(CC)n1 702442599 VFGIGEMVMGUKMN-UHFFFAOYSA-N 253.411 4.639 30 10 CJEE CCCCCCCNCc1ccc(C)cc1Cl 703715956 FGPAIGHMHIMXGQ-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCSC1)NCC 708752279 JNNGMOGGJWZMDI-CVEARBPZSA-N 271.514 4.858 30 10 CJEE SCC1(CN2CC[C@@H](C3CCCC3)C2)CCCCCC1 708800213 UJEPOGDQKQHLMI-QGZVFWFLSA-N 295.536 4.769 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)[C@@]12CCCC[C@@H]1C2 708864935 HQROWTCFDNCFJM-OZVIIMIRSA-N 274.795 4.592 30 10 CJEE CCCCCCCCOCc1cc(CNC2CC2)cs1 711310447 ZMAAONOGNQJWEL-UHFFFAOYSA-N 295.492 4.877 30 10 CJEE CCCCCCCOc1nc(C)ccc1Br 712596801 JHUDHFUCFBJZQI-UHFFFAOYSA-N 286.213 4.502 30 10 CJEE CC[C@@H]1CCC[C@@H]1/N=C1/NC2(CCCCCCC2)CS1 713261462 CNALBXWWUIPIHG-CABCVRRESA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 715705477 NOMMKMJEJFBGNB-VWWUJVRVSA-N 275.480 4.639 30 10 CJEE CCCCCCCCC(=O)C1C[C@H](C)O[C@@H](C)C1 724266429 JAZXRJMRROXJSX-KBPBESRZSA-N 254.414 4.510 30 10 CJEE C=C1CCC(C[C@H](NN)C2(CC(C)C)CCCC2)CC1 724590937 ZLXIPCPWDYLADZ-KRWDZBQOSA-N 278.484 4.561 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H](C)Oc2cccc(Cl)c2)CC1 724618497 QZCDZRORVDPHID-SUMWQHHRSA-N 293.838 4.571 30 10 CJEE Cc1cc(/C(=N/OCc2ccccc2C)C2CC2)ccc1F 821234144 RKOAYKGPBQQSJV-XUTLUUPISA-N 297.373 4.773 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1cccc(C2CCCC2)c1 1130487578 VGYZRTZVTPPPGN-AWEZNQCLSA-N 272.388 4.852 30 10 CJEE C=CCCC1(CNC(=O)c2cc(C)sc2C)CCCC1 1131111561 PSINVQNRMMAJNX-UHFFFAOYSA-N 291.460 4.621 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H](CCC)C(C)(C)C 1228579598 YEOOAFSFCQVWLB-OAHLLOKOSA-N 282.472 4.589 30 10 CJEE C=CC[C@H](C)NCc1cccc(-c2ccc(C)cc2)c1 1308268929 MIHMHGLLCRQKLJ-INIZCTEOSA-N 265.400 4.716 30 10 CJEE C=C[C@@H](CC(=O)Nc1cccc(Cl)c1)c1ccccc1 1347997369 WUJHYCZRMUTRTE-ZDUSSCGKSA-N 285.774 4.638 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)CCCCC1 1355223936 CDANXROKXFTOAW-CVEARBPZSA-N 291.479 4.844 30 10 CJEE C=CCC1(C(=O)N(C)Cc2cc3ccccc3o2)CCCC1 1435422230 GHMHZPFCHVUDKW-UHFFFAOYSA-N 297.398 4.528 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1437966294 FGBUEUFLQQQEOZ-LSDHHAIUSA-N 279.468 4.700 30 10 CJEE C=C(CC(C)C)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1448675007 RCTCVNAFPLEUJP-MRXNPFEDSA-N 285.431 4.765 30 10 CJEE C=C[C@@H](C(=O)N(C)c1ccc(C(C)C)cc1)c1ccccc1 1465827798 YOQLLGNTTAJBNK-LJQANCHMSA-N 293.410 4.743 30 10 CJEE C=CCC1(NC(=O)NCC2(C)CCCCCC2)CCCC1 1469641982 JQHGSRCZMAQTJZ-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCc1cccc(C)c1 1473638438 UTFYYVNUDHAOGE-RTBURBONSA-N 271.448 4.652 30 10 CJEE 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2291290251 OKLZEBJVLFFSCS-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1scc(C)c1C 2292698364 GVFXHLZZFREVHI-CQSZACIVSA-N 296.432 4.644 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCC(C)(C)CC1 2293692000 SEDRJNCNNQVOCO-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2294089467 OFUPHMGWVMSOEL-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC1(OCCCN)CC(C2CCC2)C1 2294368891 SHSACZXFWAZZGW-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE C[C@@H]1C(=O)C(=Cc2ccc(Cl)cc2)[C@H]2C[C@H]1C2(C)C 2297473362 PXJGEAZXDDGPDF-COLVAYQJSA-N 274.791 4.605 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C)cc(Br)c1 2304061277 DMJSXJGOVSAFTL-CQSZACIVSA-N 296.252 4.620 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCC[C@H]1C(C)C 2309895148 DPIOGCZQOFFILP-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]2CC[C@H]1C2 2312904550 COSQPFLTZSSFJH-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)S[C@@H](CC)[C@H](CCC)NCC 2313529058 KPUKWSOMGVJLKS-HOTGVXAUSA-N 269.498 4.797 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1C[C@H](SC)C1 2314306263 NRGAXMBKWDYNEU-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE C=C1CC(CC=C(C)CCCC(C)C)(C(=O)O)C1 2316529082 XSUCUKPMUBGXPY-UHFFFAOYSA-N 250.382 4.570 30 10 CJEE C=C1CC(C[C@@H](NC)c2c(Cl)cc(F)cc2Cl)C1 2318350521 AQRNYGWZIVKZRK-CYBMUJFWSA-N 288.193 4.749 30 10 CJEE CCCCCCCCC[C@@H]1CN[C@H]2CCC[C@@H]2C1 2319902644 YPYLGZJCAHWWBY-BBWFWOEESA-N 251.458 4.905 30 10 CJEE C=CCCCC[C@H](NN)c1c(Cl)cc(C)cc1Cl 2327920710 IXNWXJCOUSCBFL-ZDUSSCGKSA-N 287.234 4.553 30 10 CJEE C#CCCCC[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2327984103 RTHJLOQVPIYULG-HNNXBMFYSA-N 284.230 4.669 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329776671 SMEOYJDFYKWNRS-XGUBFFRZSA-N 272.379 4.843 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1C[C@@H]2CC[C@H]1C2 2333358527 ZZFMQIRKWJEHCM-OWCLPIDISA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@H]2C=C[C@@H]1C2 2333365898 YSAHZJDIHJRRSZ-RCCFBDPRSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2333706224 INLLZUSWWCATPV-YJNKXOJESA-N 271.395 4.522 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(F)(F)F 2333706283 JRXBKFWFVDIXRH-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H](C)CC1CC1 2335196270 DLEOGMJILQEEAP-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1[C@@H](C)NCCC 2335239808 XJPWCTCNIAXHGW-QWHCGFSZSA-N 281.440 4.943 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cccc1CNC(C)(C)C 2335241799 LWOJXTMDKZUOOE-GFCCVEGCSA-N 281.440 4.771 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1ccsc1C(F)(F)F 2337074429 MFSGTUARFHJWJU-CMPLNLGQSA-N 289.366 4.601 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC1CCC(C(C)C)CC1 2337110901 GGMKHOVHARRRHQ-OPQOLIRYSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@](C)(OCC=C(C)C)C(=O)O 2338531058 WLFMRGYGEWTVGU-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1[C@H]2CCCCC[C@H]12 2338739771 YVHJPTFVSYLYEU-BQFCYCMXSA-N 261.453 4.559 30 10 CJEE CCCCCCCCCCC(=O)C#C[C@H]1CC1(F)F 2341054626 HSSITTBYSLOXER-AWEZNQCLSA-N 270.363 4.745 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341927249 UQMZWGSMKBCCKU-KURKYZTESA-N 263.469 4.927 30 10 CJEE CCCCCCCC(=O)CCCOc1ccccc1 2343242064 QMFMQEBTJXJREZ-UHFFFAOYSA-N 262.393 4.775 30 10 CJEE CCCCCCC[C@@H](N)CCCOc1ccccc1 2343331579 IVVKENXKXLQWAA-MRXNPFEDSA-N 263.425 4.533 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc2cc(C)ccc2o1 2344338396 ZCWJDTSJJUNOQN-DLBZAZTESA-N 257.377 4.733 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc2c1CCCC2 2344343902 GGTMSJYFUKBETM-MSOLQXFVSA-N 257.421 4.558 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1CC(C(F)(F)F)C1 2344346696 VIFINOTZPKCTLS-NWINJMCUSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCCC(F)(F)C1)NC 2344347544 CJNAMIOJTRPVGM-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C(F)(F)F)C1)NCC 2344358914 WROWJJHCFSZMPH-BPCQOVAHSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(C2CC2)cc1 2344410988 DHLNGJCKUBBTBO-GOSISDBHSA-N 256.389 4.668 30 10 CJEE CCCCCCCCC(=O)[C@H](C)c1ccncc1F 2344652094 YIZXJCVKPBJGGY-CYBMUJFWSA-N 265.372 4.644 30 10 CJEE C=C([C@H](NCC)c1ccc(F)cc1SC)C(C)(C)C 2353844516 HHBITNMKEGEUBX-HNNXBMFYSA-N 281.440 4.801 30 10 CJEE CC(C)C[C@H](CS)CN(C)CC1CC(C(C)(C)C)C1 2353846582 VOXQDLKLIXWCPZ-PCKAHOCUSA-N 285.541 4.583 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359077477 REFKYSPJDVLFHJ-FJIDUMEYSA-N 281.484 4.660 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2C[C@H]1CO2 2359122012 YENKDXNIHZUSPQ-MHORFTMASA-N 282.468 4.693 30 10 CJEE CCc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1 32113566 QNQXDTXTBJLXBC-VAWYXSNFSA-N 264.368 4.762 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1ccc(F)cc1Cl 37203046 CPYJINYORCLYLE-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 37212141 QWBCSVYTEPEVOJ-RTBURBONSA-N 276.383 4.697 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1cccc(Cl)c1 57686988 ULBUACUGTYZNBS-CQSZACIVSA-N 285.774 4.725 30 10 CJEE CCCCCCCCCOc1ccc(CNCC)cc1 59178695 XUPXAIOKLSECGO-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCCOc1cccc(F)c1[C@@H](C)NCC 59184423 VSZDIIOSDJQIRM-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCCCCO[C@@H](C)[C@@H](N)c1ccc(CC)cc1 59199024 ACRRKUUKMDTCJF-MAUKXSAKSA-N 277.452 4.624 30 10 CJEE CCCCCC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(C)cs1 70031181 FKKLIFMPSXOHID-TZMCWYRMSA-N 292.448 4.624 30 10 CJEE Cc1ccsc1[C@H](C)Nc1cc(Cl)ccc1C#N 70090508 OLFBLEBCBSIWSQ-JTQLQIEISA-N 276.792 4.755 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3cc(C)ccc32)c1 71465075 XXYDGBVHYDEFNO-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2ccco2)c(C)c1C 83193536 MSNCESLDWISADA-VQHVLOKHSA-N 284.355 4.581 30 10 CJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccs2)c1C 83193773 KYNHJFKIEOURBJ-BQYQJAHWSA-N 270.397 4.878 30 10 CJEE C[C@H]1CCC[C@@H](Nc2cccc(OCCCC#N)c2)CC1 86888285 KAMQBOWWXBVLMG-JKSUJKDBSA-N 286.419 4.750 30 10 CJEE SCC1(CSc2cccc(Cl)c2)CCCC1 87097832 KYAZTAMKUVWWAD-UHFFFAOYSA-N 272.866 4.922 30 10 CJEE Cc1cc(C)c(C[C@]2(C#N)CCC[C@H](C)C2)c(C)c1 87930424 JCFMEBDEDMCULG-UGSOOPFHSA-N 255.405 4.874 30 10 CJEE C[C@H]1CC[C@H](c2nc(-c3cccc(C#N)c3)cs2)C1 87994073 FISDQQCJYVTMOK-FZMZJTMJSA-N 268.385 4.585 30 10 CJEE CCN(CC1(CS)CCCCCC1)C1CCCC1 94579050 QNGSLGXVIRNJIG-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CC(C)[C@H](CS)COc1ccc(C(C)(C)C)cc1 94582807 LNXLKDYVLHSAJS-ZDUSSCGKSA-N 266.450 4.565 30 10 CJEE CCCCCC(C)(C)CNc1nc(C)cc(C)c1C#N 94989169 KEZHAORCYCIHRA-UHFFFAOYSA-N 273.424 4.589 30 10 CJEE CC(C)[C@@H]1CCCN1CCCCCCCCCS 97799479 BYZHKRMZEXMMQS-INIZCTEOSA-N 271.514 4.767 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1C#N 104176299 UBALAQAWTHJGAH-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE CCOc1ccccc1/C=C1/CC[C@@H](C2CCCC2)C1=O 104376959 RPNARAYNNNPCBU-NOCRFKNCSA-N 284.399 4.638 30 10 CJEE CCCCCCCNc1cccc(C(=O)OCCC)c1 104427655 VGOPHTNMTCXKJR-UHFFFAOYSA-N 277.408 4.636 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@H](C)[C@@H]1O[C@H]1C 107616993 BDZSMQRMDKOWRZ-FTRWYGJKSA-N 296.410 4.540 30 10 CJEE CCCCCCCCNc1ccc(Cl)cc1C(=O)OC 109781269 JLUZCTWNMCLKDR-UHFFFAOYSA-N 297.826 4.899 30 10 CJEE CCN(c1cccc(C)c1)c1cccc(Cl)c1C#N 110254638 CMHXQUTWRGCOSB-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)CC2CCCCC2)C1 110264153 ZGGOVHWMTRUVDT-CGTJXYLNSA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@@H](Nc1cccc(F)c1)C(=O)OCC 110320536 DHLXSWCRHXAICX-MRXNPFEDSA-N 295.398 4.530 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)CCOC1 110465162 OLNZPDUEIWGXHN-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccc(C)s1 112972933 JBPGEWVYQUOAFF-CQSZACIVSA-N 267.482 4.938 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OC)cc1C 115064616 FGIDKAVFRYCWMV-KRWDZBQOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCOc2ccccc21 116257597 SYUJHKZRSBPUTE-HNNXBMFYSA-N 274.404 4.872 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122389480 IOSXLQVEGAIOBP-WCQYABFASA-N 297.320 4.925 30 10 CJEE N#CC1([C@@H](O)c2coc3ccccc23)CCCCCCC1 124295231 BOOSVMCZDHYOMM-KRWDZBQOSA-N 283.371 4.720 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 125726064 GYDDLLLEBIZLRF-GXTWGEPZSA-N 276.811 4.982 30 10 CJEE C=C(C)C[C@H](NCCC)c1sccc1Br 130849474 JOYVLVAHJMAYTL-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCCC[C@](C)(O)C1(C#N)CCC(CCC)CC1 132953013 DEMIGXONXGZNGL-CGZBRXJRSA-N 265.441 4.818 30 10 CJEE Cc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1C#N 134992749 DZOYDMSMHLUTEM-UHFFFAOYSA-N 293.244 4.558 30 10 CJEE CCCCCCCCC[C@@H](NC)c1csc(C)n1 139395455 CMLHLSASESXYJV-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(C)nn1C 143462458 NLBSOTANYVSKTP-INIZCTEOSA-N 279.472 4.520 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccc2ccccc2c1 165202944 PQYQRQWLIIWYAR-UHFFFAOYSA-N 272.351 4.632 30 10 CJEE CCCCCCCCCCCCOCC[C@H](C)N 165709928 HGISOGXQHNUHFZ-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C=C(C)CCC(=O)c1ccc(Br)c(Cl)c1 228695365 GHQADCDFINXNAP-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CC(C)C(CNc1cc(Cl)ccc1C#N)C(C)C 229567535 HJPPETAKGWXNDN-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE CCCCCCCCCCC[C@H](COCCC)NC 229796868 RCVKLKOCKWPMFU-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@@H]1CNC(C)C 232960770 HHKYRXKMSIUCQQ-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@@H](C)CC1 232965496 VYVZMKBVNRCKKM-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE N#Cc1ccc(F)cc1CNc1cc(Cl)cc(Cl)c1 236190373 DYQPDTOTBLLJNK-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCCCC[C@H](N)Cc1c(Cl)cccc1Cl 236301494 VKFUBCQZROIWBI-LBPRGKRZSA-N 286.246 5.000 30 10 CJEE CCCCCCCCN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250819642 KOYZQCLAHXSWMK-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE CCCCCCCN1C[C@@H](CC)NC[C@H]1C1CCCCC1 250836053 UZLZRGFRHBEUMS-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252405763 FGYOMLHLPMBQBU-MWDXBVQZSA-N 278.484 4.851 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N 252816003 KDGROMUJEXJRQZ-YNEHKIRRSA-N 274.433 4.517 30 10 CJEE N#CC[C@H](c1ccc(Br)cc1Cl)C1CC1 260524759 ZTYCFGZLACMUPR-JTQLQIEISA-N 284.584 4.510 30 10 CJEE N#C[C@]1(C[C@@H]2CCC3(CCCCC3)O2)C[C@H]2CC[C@H]1C2 300002455 RINWLWMXQHOORA-LUKYLMHMSA-N 273.420 4.588 30 10 CJEE CC(C)C1CCC(C#N)(c2nccc3sccc23)CC1 312488783 VUWXBMWFQLVONC-UHFFFAOYSA-N 284.428 4.904 30 10 CJEE CCc1ccc(N[C@@H](CC#N)c2ccccc2)cc1C 312838968 VARPNNHXPKIQNN-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CO[C@@H]1CCCC[C@H]1C1(C#N)CCC(C(C)(C)C)CC1 312888963 AOSOOYBXPMCGBX-GARNVTTQSA-N 277.452 4.938 30 10 CJEE CCC[C@@H](Nc1cc(C#N)ccc1Cl)C1CCC1 322410156 VTFHWNHOIXIJBV-CQSZACIVSA-N 262.784 4.592 30 10 CJEE N#CC1(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CCCCCC1 381061414 RWFJMTUSVDKOIE-JYJNAYRXSA-N 261.409 4.588 30 10 CJEE Cc1cc(N[C@H]2CCCCC[C@@H]2C#N)c(Cl)cc1F 382127819 WVXXNCZSHAERCO-RISCZKNCSA-N 280.774 4.672 30 10 CJEE CCCCCCC[C@H](C)N(C)[C@H](CC(C)(C)C)C(=O)O 387447160 ATJUOUWCEDFRPK-LSDHHAIUSA-N 285.472 4.557 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 393809217 YWODINZJUZZNAB-QCAJKXFRSA-N 261.453 4.536 30 10 CJEE CCCCCCC[C@H](CCCOCC(F)(F)F)NCC 400634831 LZINRVYGYUMRMT-CQSZACIVSA-N 297.405 4.684 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)c(Cl)c1 404555689 OKVLIIMSZHDYPK-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccoc1CCC 410377198 YMUDGXPDTXMMMV-UHFFFAOYSA-N 283.371 4.603 30 10 CJEE C=CCCCN(C)C(=O)c1coc2ccc(C(C)C)cc12 561176402 SPIRVFOAZYDBEA-UHFFFAOYSA-N 285.387 4.594 30 10 CJEE C#CCCCCC[C@@H](O)C1CCC(CCCC)CC1 686677114 UQOGNURSMGYISV-DAWZGUTISA-N 264.453 4.928 30 10 CJEE C#CCCCCC[C@H]1CCCC[C@@H]1CNCC(C)C 686693358 RSUMKDVXAMUGFU-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CCCC[C@@H](CC)C/N=C1/NC2(CCCCC2)CCS1 687325482 DHYUEBXKESBVQV-OAHLLOKOSA-N 296.524 4.988 30 10 CJEE CO[C@@H](CC1(C#N)CC(C)(C)CC(C)(C)C1)C1CC1 688309272 SWEQRDFSZFNWPQ-AWEZNQCLSA-N 263.425 4.548 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]1OCC 689893331 KDGFWVWVYUOKOT-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](N)C(C)(C)C(F)(F)F 690208414 IUXJDMPAWJXAJS-LLVKDONJSA-N 253.352 4.653 30 10 CJEE N#CC[C@H](Nc1cccc(F)c1Cl)c1ccccc1 690255422 UFQUHEWZVSVCLO-ZDUSSCGKSA-N 274.726 4.546 30 10 CJEE C=CCC1(NC[C@H]2CCCc3ccccc32)CCCC1 690803398 FKKBSDIDWBZJQD-QGZVFWFLSA-N 269.432 4.585 30 10 CJEE CCCCCCC[C@@H](Cc1nc(C)sc1C)NCC 691380858 PNFSKHAMIXWSGA-HNNXBMFYSA-N 282.497 4.641 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1CC2CCC1CC2 691670007 BVXZDIXOBNPVNV-MNAZLIDISA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)Cc1ccc(C)s1 693845575 CBIVTTKYFUFUEJ-QGZVFWFLSA-N 296.524 4.566 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cc(C(F)(F)F)ccc1F 695844398 VYPIFNNKRFWMTD-VIFPVBQESA-N 288.288 4.585 30 10 CJEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698458194 NVZYEJYDDLWJJR-KRWDZBQOSA-N 288.391 4.510 30 10 CJEE CCCC(C#N)(CCC)N(CC(C)C)C(=O)OC(C)(C)C 698813080 BGQVFBHXZQOKEX-UHFFFAOYSA-N 296.455 4.742 30 10 CJEE Cc1ccc(CSCc2ccccc2C)cc1C#N 701876970 ZFGIDPVSIUIUPM-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CC1(C)C[C@]1(C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 702173896 YVEBETMICHIISM-MEBBXXQBSA-N 296.197 4.606 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)Cc1ccccc1 703989487 PYVKUEXCVGPXTM-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE CCCC1CCC(C=O)([C@@H]2CCCC[C@@H]2C)CC1 704934215 YPTGWGUEGAGDMS-ORBLRFAASA-N 250.426 4.988 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(F)cc1C(F)(F)F 705570101 BVJWVESMKJMKMD-SNVBAGLBSA-N 289.316 4.707 30 10 CJEE CC(C)[C@H](C#N)CNc1cccc(-c2ccccc2)c1 709728093 ZSXXKRXWYHPTMX-QGZVFWFLSA-N 264.372 4.561 30 10 CJEE C#CCCCCC[C@H](NCCC)C(C)(CC)CC 721758278 LOQVSPNULIDJLO-INIZCTEOSA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@@H](NCCC)C(C)(CC)CC 721758279 LOQVSPNULIDJLO-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C)c(F)c2)CC1 724582719 OILMHVILLWCMKU-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cc(COC)cs2)CC1 724598498 BQIULWGQXTUDHO-INIZCTEOSA-N 293.476 4.682 30 10 CJEE C=CCCc1ccccc1NC(=O)C=C1CCCCC1 800153649 VOTDVBUTLPYMEW-UHFFFAOYSA-N 269.388 4.634 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc(Cl)c2F)c1 1134627085 WTDPSMVKYUODOT-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=C[C@@H](C(=O)N1CCC(C)(CC(C)C)CC1)c1ccccc1 1141751206 IEFLINPRUWLCNC-GOSISDBHSA-N 299.458 4.631 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@@H]1C1CCCC1)c1ccccc1 1159393439 IVQWCWDUPYIBEC-RBUKOAKNSA-N 297.442 4.528 30 10 CJEE C=CCC[C@@H](CC)N[C@@H]1CCCc2c(F)cc(F)cc21 1182109503 NXIKBFSZPQMJGS-CXAGYDPISA-N 279.374 4.677 30 10 CJEE C=CCN(CCCc1ccc(C)cc1)Cc1ccccc1F 1190485666 NNPKIJHTTIVHKH-UHFFFAOYSA-N 297.417 4.755 30 10 CJEE C=CC(C)(C)CN[C@@H](C)CCc1ccc(Cl)s1 1205842379 YXRUZSFXMZRJID-NSHDSACASA-N 271.857 4.524 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)Cc1cccc(C)c1 1206635697 FYHLYSKELJSSDQ-QRQLOZEOSA-N 271.448 4.651 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 1207494443 ZQELVCGQCTUJLQ-WOJBJXKFSA-N 283.459 4.734 30 10 CJEE C=CCCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 1264075823 IBHHOAXDNYXHBH-UHFFFAOYSA-N 292.684 4.621 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(O[C@@H](C)CC)c1 1274086925 GBBBHXMWGYZMKO-AWEZNQCLSA-N 287.403 4.571 30 10 CJEE C=C(C)CCC(=O)N(CCCC(C)C)Cc1ccc(C)o1 1288852243 AXVSKUUAJAOKFN-UHFFFAOYSA-N 291.435 4.709 30 10 CJEE CCC(C)(C)CCNc1c(Br)cccc1C#N 1307183020 VZDQXDBJPSGCKY-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C(CC)CN1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 1307500745 SHPURQABRMVGKK-GDBMZVCRSA-N 261.409 4.581 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1cccc(Cl)c1)C(F)F 1308938672 GXOLHJWBPQXAFR-MFKMUULPSA-N 273.754 4.591 30 10 CJEE C=C(C)c1cccc(NC2CCC(C)(C#N)CC2)c1 1308970277 GLLJSQSIIFLKSW-UHFFFAOYSA-N 254.377 4.604 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cc(C#N)ccc1C 1310382351 RBTLBTFTOZOOML-UHFFFAOYSA-N 299.418 4.515 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](CC)C(C)(C)c1ccccc1 1360539416 HKHJYYINUUYOKV-INIZCTEOSA-N 288.431 4.888 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](c1cccc(C)c1)C(C)C 1438250921 ABSJRXQTAWFTMC-GOSISDBHSA-N 285.431 4.577 30 10 CJEE C=CCCC(=O)N(CC(C)C)c1ccc(C(F)(F)F)cc1 1460120228 AURJSYWXYHACGI-UHFFFAOYSA-N 299.336 4.661 30 10 CJEE C=C(CC)CN[C@](C)(Cc1ccc(Cl)cc1)C(C)C 1460154956 XXLAXVBDLHCXIV-QGZVFWFLSA-N 279.855 4.853 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H](C)c1ccccc1 1461535437 WYZZXSNIDPGXBO-BHIYHBOVSA-N 299.458 4.821 30 10 CJEE C=C1CCC(C(=O)N[C@](C)(Cc2ccccc2)C(C)C)CC1 1462174505 IGNZWXPWISQARZ-HXUWFJFHSA-N 299.458 4.506 30 10 CJEE C=CCC(C)(C)CN[C@H](C)Cc1ccc(F)cc1Cl 1474543833 FWGGEUYXQTUDLQ-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1cc(Cl)ccc1Cl 1521732611 RIAKXURJKIRQNS-SNVBAGLBSA-N 287.186 4.639 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(OCCC(C)C)cc1 1523521779 PMMURGZOJOWKLI-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=CCCCNC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1525070784 YAYNIOVWZXDZFC-KOHRHEQBSA-N 291.479 4.702 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(C)cc(C(F)(F)F)c1 1531697435 FQTBCWCBBPSSRO-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCCC1(C)C 1532845043 MFMUPRDUHIPUKW-SFHVURJKSA-N 299.458 4.808 30 10 CJEE C=CC[C@@H]1CCN(C(=O)CCCCCCCCC)C1 1533762277 HSIVNGHJLMIRQQ-MRXNPFEDSA-N 265.441 4.552 30 10 CJEE C=CCC[C@H](C(=O)NCCC(C)(C)CC)c1ccccc1 1535094012 AJLITXHDWWNPGC-KRWDZBQOSA-N 287.447 4.679 30 10 CJEE C=CC[C@H](CC)NC(=O)c1c(C)ccc2cc(C)ccc12 1540091634 ZQIYMLBCAADRDT-INIZCTEOSA-N 281.399 4.541 30 10 CJEE CC#CCN(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 1559575618 IEDXUXBPVVTOAN-RBUKOAKNSA-N 273.464 4.613 30 10 CJEE C=C(Br)CNC(C)(C)CC1CCCCCC1 1559756635 FATKZNNFVJVMNH-UHFFFAOYSA-N 288.273 4.624 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc(Cl)c(Cl)c2)C1 1560587343 IVCLBCGRVDFKQB-GXTWGEPZSA-N 298.257 4.870 30 10 CJEE C=CCCC1(CNCCc2cc(C)cc(C)c2)CCCC1 1560928741 ARLDJBSIRVFGHL-UHFFFAOYSA-N 285.475 4.962 30 10 CJEE C=CCC[C@@H](C(=O)N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 1566819033 PQUMXNOUSJKJGU-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1586326872 WRECZEIYZNMWPZ-GDBMZVCRSA-N 285.431 4.765 30 10 CJEE C=CCC[C@@H](NC[C@@H](OC)c1ccccc1)c1ccccc1 1616738045 JTGWTCYKWGDWNR-WOJBJXKFSA-N 295.426 4.671 30 10 CJEE C=CC[C@@H]1N(C[C@@]2(C)CC2(Cl)Cl)CCCC1(C)C 1617604908 YUGIZZNHZGLYNH-GXTWGEPZSA-N 290.278 4.637 30 10 CJEE C=C[C@@H](CC(=O)NC[C@H]1CCC=CCCC1)c1ccccc1 1618796012 GMVCCACERRHFBZ-ROUUACIJSA-N 297.442 4.599 30 10 CJEE C=C1CC(C)(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)C1 1634098346 XOPLLZCRAWMMHA-SNVBAGLBSA-N 298.213 4.527 30 10 CJEE C=CC[C@@H](CC)Nc1cnc2cc(Cl)c(Cl)cc2n1 1639902062 SSNUEVFJYXQKGX-SECBINFHSA-N 296.201 4.703 30 10 CJEE C#CCCCCCCN(Cc1cccc(F)c1)C1CCC1 1648377240 MDKZDKSBOYBUPE-UHFFFAOYSA-N 287.422 4.764 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)c(C)c2Cl)cc1 1658728807 DSEMXXZUZOZFRX-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 1659230863 DPOOLNNVEHVVJF-NVXWUHKLSA-N 291.866 4.853 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccccc2C(C)(F)F)C1 1659246989 KLJVGBVFSDEMIM-QWHCGFSZSA-N 265.347 4.955 30 10 CJEE C=C(C)CN(CC)Cc1ccc(C2CC2)c(C2CC2)c1 1659270190 YRYYSTUNMFBIBD-UHFFFAOYSA-N 269.432 4.839 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 1660234235 KKGHHPKOMCQGRU-QGZVFWFLSA-N 292.426 4.537 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 1660637667 IUHDKMACLQVNCA-ATNYBXOESA-N 289.850 4.614 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)CC1 1664328346 ARYFNXOALVDSCL-VVLHAWIVSA-N 276.468 4.653 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)c1ccc(F)c(C)c1 1664805473 GCTRILFBABPDJJ-ZBFHGGJFSA-N 263.400 4.920 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 1665184655 RQRPSDJQGLZSOB-CKEIUWERSA-N 286.419 4.666 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C)c(C)c1Cl 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283.500 4.876 30 10 CJEE CCCCCCCCCCCCN1C[C@H](OC)[C@H](F)C1 2195920534 NJQTWVVNJOOFPR-SJORKVTESA-N 287.463 4.576 30 10 CJEE C=C[C@H]1CCCCN1CC1(c2ccccc2)CCCC1 2195932264 MVTFKRCCRRTLAW-SFHVURJKSA-N 269.432 4.539 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]23CC[C@@](C)(C2)OC3)CC1 2196089441 WBKDCPOUNNPUSP-OKZBNKHCSA-N 275.436 4.836 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2196170752 CDVUWPBUTUOZOZ-XSLAGTTESA-N 275.480 4.621 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(N)c1oc2ccccc2c1CC 2196590822 CRCATSSDXKOAEF-FZKQIMNGSA-N 271.404 4.771 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)c1cc2c(s1)CCCCC2 2196852957 FGJSIIWWSFAEMF-GOEBONIOSA-N 289.488 4.717 30 10 CJEE C#CC[C@H](CC1(CNCC(C)C)CCCCC1)C1CC1 2196853657 JOMPXFBFJUEOJO-GOSISDBHSA-N 275.480 4.622 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 2196854177 MERIQHCFTHDBPQ-CADBVGFASA-N 277.496 4.724 30 10 CJEE C=C(c1ccccc1)[C@@H](CSC1CCCC1)NCCC 2197142699 TYHOAPDIMIDNGJ-GOSISDBHSA-N 289.488 4.744 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@H]1C[C@@H]1C1CCCCCC1 2200160770 NHQLQRCYULBNOA-SQNIBIBYSA-N 275.480 4.621 30 10 CJEE CN(C[C@H](CS)CC1CC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 2201139383 AAKYUDQNUHPPJE-BRSBDYLESA-N 295.536 4.623 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=NCC2(CC(C)C)CCCC2)N1 2201221787 NTYWUWXTTSBZLY-CABCVRRESA-N 296.524 4.700 30 10 CJEE CCCCC#CC[C@H](O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 2203786340 VATYEDLKBYTDLI-HZOPKGLOSA-N 274.448 4.538 30 10 CJEE C=CCCCCCC[C@@]1(CN)CCOC12CCCCC2 2206901541 CQPQSEMQCVVLMS-KRWDZBQOSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCCCC(=O)c1ccc(COC)o1 2207387145 ZNLCWCSOTMXEES-UHFFFAOYSA-N 278.392 4.916 30 10 CJEE C=CCCCCCCCC[C@@H](COCC(C)C)NCC 2207413062 IFZBWLRSVJGJQL-SFHVURJKSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1CCCC[C@@H]1O 2207415264 RPMBVLSWRCSJDQ-MSOLQXFVSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)C1(OC)CCC1 2207432514 PWYHKGKXXIWYRP-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)CCCCCC 2207434511 CZKHFBPIHNQKQS-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@@H](C)C[C@@H]1OC 2207434997 HGJSCMGYARRGBH-SQNIBIBYSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@@H]1CCC1(C)C 2207447771 YENBGDFCDBKNJJ-YESZJQIVSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](O)[C@@]1(CN)CCCC(C)(C)C1 2207454985 ZSEKJUFDAIECLK-AEFFLSMTSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)c1cc(C)ccc1Cl 2207460358 ZDQKNGNMSZWONC-SJORKVTESA-N 297.870 4.760 30 10 CJEE C=CCCCCCCCCOCCCC(=O)CC 2218647226 IYPVEINDIHNAOS-UHFFFAOYSA-N 254.414 4.679 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1C(C)(C)C1(F)F 2220097820 QKNWJWLIQHOYRE-CYBMUJFWSA-N 258.352 4.764 30 10 CJEE CCCCC#CCC(=O)Cc1cccc(Cl)c1Cl 2220269613 VVMKLUZSPULJKA-UHFFFAOYSA-N 283.198 4.689 30 10 CJEE C[C@@H]1CC[C@@H]1CC1(C=O)CC(C)(C)CC(C)(C)C1 2220575565 YVLPMHAEASHZJL-ZIAGYGMSSA-N 250.426 4.844 30 10 CJEE CCCCCCCCCCCOC[C@@H](CC)CN 2223265605 NLCWHYWCQOHEKH-INIZCTEOSA-N 257.462 4.519 30 10 CJEE CCCCCCCC[C@]1(C)CCC[C@@H](CC#N)O1 2223850128 HXFXDBDHAYIPTM-JKSUJKDBSA-N 251.414 4.978 30 10 CJEE C=CCC[C@](C)(O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225261571 NBVYWYKKOUCJDH-XGUBFFRZSA-N 272.379 4.555 30 10 CJEE C[C@@H]1C[C@@](C=O)(CC2C[C@H]3CCC[C@H](C2)C3)CCS1 2225365187 XRNLBEUPHXCKOO-WBTNSWJXSA-N 280.477 4.694 30 10 CJEE CCCC#C[C@@H](NCC)C1CCC(CCCC)CC1 2225434726 UYZTVWDKEXGZES-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccccc1OC 2227277105 WJYGHHFLKZPCCZ-INIZCTEOSA-N 262.393 4.645 30 10 CJEE C=CCCCCCCCNCc1ccccc1CC 2227282407 KGZNXCZFZWPYRP-UHFFFAOYSA-N 259.437 4.865 30 10 CJEE C=CCCCCCCCN(C)CC(F)(F)C(F)(F)F 2227283065 MAPBZIYTXNQECQ-UHFFFAOYSA-N 287.316 4.642 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ncoc1C 2227290528 HZATVUAWEXRZKB-HNNXBMFYSA-N 264.413 4.550 30 10 CJEE C=CCCCCCCCN(C)CC1C2(CC2)C12CC2 2227532416 GLIOERVJVGSDFW-UHFFFAOYSA-N 261.453 4.635 30 10 CJEE CCCCCCCCCOC(=O)c1ccccc1S 2231018170 GYMZNSPHSSVQJV-UHFFFAOYSA-N 280.433 4.883 30 10 CJEE CCCCCCCCCCCOC[C@H](N)[C@H](C)CC 2231077101 WAFQSMWIIRBWLV-SJORKVTESA-N 271.489 4.907 30 10 CJEE CC[C@H](CC(=O)C#Cc1ccc(Cl)cc1)C(C)(C)C 2231085437 UKHQGTPMWBLKKR-CQSZACIVSA-N 276.807 4.723 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(C3CC3)cc2)C1 2231709600 YFMRXLAMBCBLGA-RDTXWAMCSA-N 253.389 4.827 30 10 CJEE C[C@@H]1CC=C(C(=O)CCCC(F)(F)C(F)(F)F)CC1 2231772019 WDYRFYMQHQNQLM-SECBINFHSA-N 284.268 4.670 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CCCC(F)(F)C(F)(F)F 2231783684 QLWBHJNBRORVLD-MNOVXSKESA-N 286.284 4.750 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CCC=C(C)C 2231927546 BXCNVKHOVQIKKB-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE C=CCCCCCCCCOCCC(C)(C)CNCC 2234054559 UUBAZQNTTBLIDM-UHFFFAOYSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCCCO[C@H]1CC[C@@H]1CNC(C)C 2234057511 NRAGCBPNYZYQFZ-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](O)CCOc1ccccc1 2235521239 HQTMUDHZUHFROD-KRWDZBQOSA-N 276.420 4.733 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H](CC)CC(F)(F)F 2235538884 LIGVTGJJCVHACA-KBPBESRZSA-N 294.405 4.714 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC[C@H]1C[C@@H]1C)NCCC 2236447052 KCRLCEDWDQUUPA-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=CCCCCCC[C@H](NC)C1C[C@H]2CSC[C@H](C1)C2 2236735628 GVKTWNJAJYCGTP-BQFCYCMXSA-N 295.536 4.880 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CC1(C)CC2(CC(F)(F)C2)C1 2239166357 MIIHSKMWBWPANI-XJKSGUPXSA-N 284.390 4.988 30 10 CJEE CCCCCCCCCCOC(=O)c1ncccc1F 2239501500 HAVDYKJNKJRFNN-UHFFFAOYSA-N 281.371 4.518 30 10 CJEE CCCCCCCCCOc1csc(CNC2CC2)n1 2239537008 NJGCLAMLJWQREH-UHFFFAOYSA-N 296.480 4.525 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2240219687 BPEXFBUQVNDCKL-OVWQWFNUSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)c1csc(CC)c1 2240637555 KAJWBDRILOJFCR-IRXDYDNUSA-N 297.508 4.812 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H](C)CC)NCC 2240639822 JKBVUYPQWULHHH-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE CC1(C)OB([C@H]2C[C@@H]2c2csc(C3CC3)c2)OC1(C)C 2241504266 NAIBCLYTVQPVRR-OLZOCXBDSA-N 290.237 4.575 30 10 CJEE C=C(C)CCCCN(Cc1ccccc1)CC1CC1 2241951081 XICCWDYDWSPZEF-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(Cl)cs1 2245450855 XNCHTSAHRITWCF-CYBMUJFWSA-N 260.830 4.970 30 10 CJEE C[C@@H]1CC[C@H](CSCC2(C#N)CCCCC2)C1 2248417616 IBEQMRFLOFGDOX-KGLIPLIRSA-N 251.439 4.630 30 10 CJEE C=C(C)CCCC[C@](N)(c1cccs1)C(C)C 2250151126 IEKHKALYPPCPRF-OAHLLOKOSA-N 251.439 4.695 30 10 CJEE CCC[C@@H]1CCCCN1CCCCCCCS 2252646112 DHADOGLEVGPXJK-OAHLLOKOSA-N 257.487 4.521 30 10 CJEE CCCC[C@@](C)(C=O)C[C@@H]1CC(F)(F)C12CCC2 2254836747 FKLJXZUCHHZTPT-CHWSQXEVSA-N 258.352 4.597 30 10 CJEE N#Cc1ccc(Cl)cc1SCC1(C(F)(F)F)CC1 2255165519 UBALMNYNQKPYPI-UHFFFAOYSA-N 291.725 4.646 30 10 CJEE CC(C)(C)[C@H](CS)COCC[C@H]1CCCC12CC2 2255275029 FKZCBDOTLWVNHN-KGLIPLIRSA-N 270.482 4.566 30 10 CJEE C=CCCSc1ccc(F)cc1[C@H](C)NCCC 2258976855 VQLLYMYWYDQCRO-LBPRGKRZSA-N 267.413 4.555 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CC1(F)F)NCCC 2259194547 WGKMTXNOSZVEAS-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCCC23CC3)CCC1 2260973722 SWFAJQQZIWFSLX-MRXNPFEDSA-N 263.450 4.774 30 10 CJEE C[C@H]1CCC[C@@H](CCC2(C=O)C[C@@H]3CC[C@H](C2)S3)C1 2265133627 TYLFLLXBGTWKHI-UIJGJVKASA-N 280.477 4.836 30 10 CJEE CC(C)CNC[C@H](C)[C@@H](C)CC=CC#CC(C)(C)C 2268725863 JKILDGRCZXFARL-IRXDYDNUSA-N 263.469 4.500 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@H]1C(F)F 2270050766 AZNVGCGAAPRDJV-LXTVHRRPSA-N 273.411 4.638 30 10 CJEE CCCCCCCCCN1CCc2nc(C)sc2C1 2271482824 XNHKMZGEHXLMGE-UHFFFAOYSA-N 280.481 4.560 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc(F)cc(C(F)F)c1 2271743971 ZKCOEUOWVNUYMB-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H](CC)CCC)C1CC1 2272059995 GHHJHBARJGNMNR-NXHRZFHOSA-N 263.469 4.621 30 10 CJEE CC[C@H]1CNC(=NCC[C@H](C)CCCC(C)C)SC1 2272261197 PMJRUNWHXKRPJI-CABCVRRESA-N 284.513 4.558 30 10 CJEE C=C[C@](C)(CC[C@H](C)CCCC(C)C)C(=O)OCC 2272303881 SPGYKWGAYLIFGI-NVXWUHKLSA-N 268.441 4.984 30 10 CJEE CN(CCCCCCS)CC1CC(CC(C)(C)C)C1 2274300481 PQGNOJSBOQQXFW-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CCCCCCC[C@H](OCCN)c1sccc1CC 2276128558 XGVKVWMAWJKOTK-HNNXBMFYSA-N 283.481 4.687 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1ccsc1C 2276214217 UXUXSMZMDJDJSU-INIZCTEOSA-N 281.465 4.600 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@]1(C)C[C@@H]1C 2276604941 HYTGERADHKKYEN-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](CC)(OCCCN)[C@H]1C[C@H]1C 2276770568 KAILOMQSPZLHPL-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H](C)CC)OCCCN 2276985176 ZKJACSGFQLLBQR-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE FC1(F)C[C@H](COCCCCCCCS)C12CCC2 2277456557 UTSCWXVLGYVJNW-CYBMUJFWSA-N 292.435 4.709 30 10 CJEE C=CC(C)(C)CCNCCC12CC3CC(CC(C3)C1)C2 2279778702 NBLHOVYZHWPFQW-UHFFFAOYSA-N 275.480 4.785 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1cc2cccnc2s1 2280200469 VGNBKQOWNZLCIC-CJNGLKHVSA-N 288.460 4.939 30 10 CJEE N#Cc1cccc(F)c1Nc1cccc(C2CCC2)c1 2280484108 MSZWAKJHODAMNF-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)=NO)c(C)c1 2283257613 IJHAPLJBTJLDOZ-PBHICJAKSA-N 275.392 4.541 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(OC)ccc1Cl 2283340388 XPHSKGNZRZAZPI-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(F)ccc1Cl 2283347532 VSUAPASFGYISMC-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE CCCc1ccc([C@@H](O)CC#CC2CCCCC2)cc1 2283528376 LQYCNHVYNHDREL-IBGZPJMESA-N 270.416 4.646 30 10 CJEE CO[C@H](CS[C@@H]1C[C@@H](C)CC[C@H]1C#N)C1CCCCC1 2283993501 MWXIDPOFAMTPKQ-QMCVQRASSA-N 295.492 4.643 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC=CC#CC(C)(C)C 2284103059 MMFFSUYQACJERI-FGTMMUONSA-N 275.480 4.643 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCCC12CCC2 2284182567 FVCDYGPZDGXPAZ-DLBZAZTESA-N 273.464 4.541 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](C)(O)[C@H](C)CC(C)C 2287391806 GQZXBCSZIBZKAB-SQNIBIBYSA-N 283.500 4.534 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(OC(F)F)cc1 2287403322 UWEHNWKFXFRSJZ-INIZCTEOSA-N 283.362 4.598 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)CCOCC1(C)C 2287465604 LDMKAZDAQGILMR-SFHVURJKSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2287470010 MDQDYLOFCOFEKE-YHUYYLMFSA-N 285.422 4.782 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@]12CCCC[C@H]1CC2 2289688134 ROYMXCSABVWQOR-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C12CCCC1CCC2 2289692193 WCDLKYHDNBYIJH-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CCC[C@@H](CC)C1 2289703409 HOYNUYHUOVLZLI-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE Cc1ccc(NCC2CC(CC(C)(C)C)C2)c(C#N)c1 2290064504 OQWUVCQUNACGEP-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCC[C@](C)(CCCCCCCCC)OCC(=O)O 2290563132 BKPSETQSHUBOEI-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)C=CCC[C@H]1C 2291559856 VCCXAJIZNSNUEM-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@H]1CCC[C@@H](C)C1 2292768999 MCRXDCNGESSUPQ-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@@H]1[C@@H](C)[C@H]1C 2292794029 VMVPFLCBIZWDKQ-XDNAFOTISA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1cccc(Cl)c1 2292892406 KPVDKDRXKPKHDS-KRWDZBQOSA-N 295.854 4.883 30 10 CJEE C=CCCCCC[C@@](CC)(OCCCN)C1CCCC1 2292895467 FMCQZIKONDABML-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCCC12CC2 2293778647 JKUVCDXEYAQKOP-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccccc1C 2293825908 RLMJSHNHZRZCDW-GOSISDBHSA-N 277.452 4.762 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)C=C(C)CCC1 2294020618 HWWRQXZLPUUSES-SFHVURJKSA-N 279.468 4.747 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)c1cscc1C 2294264656 VNPIWOQZNDBSQR-QGZVFWFLSA-N 297.508 4.998 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H]1C[C@H]2CC[C@H]1C2 2294355264 IXWLUVRXNFMGCX-XLAORIBOSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1CCC[C@@H]1C 2295604404 WTKYZAGQMIZQSZ-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)NCC12COC(C)(C1)C2 2295670957 LDDAMGSFRCPSQA-AOCRQIFASA-N 281.484 4.674 30 10 CJEE C=CC1(CN[C@@H](c2ccccc2)C2CCCC2)CCC1 2295722156 JDCSCOYHXWLLTE-SFHVURJKSA-N 269.432 4.864 30 10 CJEE C=CCC[C@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F 2295804793 CYUPWRDJZYNEBP-NSHDSACASA-N 298.226 4.724 30 10 CJEE C=CCCCC[C@H](N)c1ccc(F)c(C)c1Cl 2301084645 WFACCCOYJYDOQN-ZDUSSCGKSA-N 255.764 4.534 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@]12CCC[C@@H]1C2 2308101506 AQLHTYNHQNOCRK-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCN(C)C[C@H]1C[C@@H]2CC[C@H]1C2 2312923504 IPNFCIGOORLAEL-IXDOHACOSA-N 251.458 4.715 30 10 CJEE C=CCC(CC=C)Sc1cc(C(C)C)nc(Cl)n1 2313627146 QPFPNFRZCCUYBE-UHFFFAOYSA-N 282.840 4.866 30 10 CJEE CCCC#C[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065164 SJUQDUGYIMQLNX-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE C=C(C)C[C@H](CC[C@H]1CCCC1(F)F)NCCC 2319286064 FYWLGEPCPOBAPI-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE CCCCCCCCCN[C@@H]1CCCC[C@H]2C[C@@H]21 2319440038 WLOHCCUIFAQFBE-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)[C@@H](C)CC1CCC1 2321100563 CRMOJMOVMZOKIS-XIRDDKMYSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)c(Cl)cc1F 2321127849 NHHUYKHKSAUHPE-GJZGRUSLSA-N 269.791 4.780 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(C)sc(C)c1C 2321133452 GIVLVPGZUPIPKN-MEDUHNTESA-N 265.466 4.926 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1cc(Cl)cc(Cl)c1 2321237048 JRQRBSNCIQIFTF-HUUCEWRRSA-N 287.230 4.889 30 10 CJEE Cc1cc(C)nc(SCC2(CS)CC(C)(C)C2)c1 2321756094 ZXELKPMUJZSWID-UHFFFAOYSA-N 281.490 4.527 30 10 CJEE CCC#C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2325210299 WXONBZKVPURAQF-AWEZNQCLSA-N 288.193 4.587 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C(C)C 2327868683 INMWJHZUNFRVMD-BXUZGUMPSA-N 284.230 4.610 30 10 CJEE C#CC(C)(C)C[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2327984213 SCQRGQCVVTXJOZ-OAHLLOKOSA-N 284.230 4.525 30 10 CJEE C=CC[C@H](C)Sc1nc(NCC)cc2ccccc12 2335103658 OTJMQLKOVUVNDB-LBPRGKRZSA-N 272.417 4.723 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@](C)(CC)C(F)F 2336599230 HFXWRUVRZHIXTF-GOEBONIOSA-N 273.411 4.620 30 10 CJEE C#Cc1ccccc1N[C@H]1CC(C)(C)CCC1(C)C 2339906909 BCDDCQIMXWLPPW-INIZCTEOSA-N 255.405 4.685 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1ccc(-c2ccccc2)s1 2341885321 QPRQRIPLAFGFRW-PBHICJAKSA-N 269.413 4.642 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccccc1C1(C)CC1 2341931419 YYPCMAQIQDONEK-KRWDZBQOSA-N 257.421 4.745 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1cccnc1C(C)C 2342162159 JTBPSJLCJGGTFR-KRWDZBQOSA-N 261.409 4.533 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NCCC 2344335796 CSXSCUJUALKHAM-NCOADZHNSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(F)c(F)c1C 2344341509 CDCGFAIXPAJRPK-JKSUJKDBSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccc(F)cc1 2344357104 PFPIIERGYWVNRZ-DLBZAZTESA-N 263.400 4.859 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1cc(Cl)ccc1F)NC 2344395124 HWJUISMFDPYLIC-JKSUJKDBSA-N 283.818 4.602 30 10 CJEE CN(C[C@H]1CCC(C)(C)C1)C[C@](C)(CS)C(C)(C)C 2352071721 IUNQNSWOBIDLKC-WMLDXEAASA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(F)ncc1C 2352277901 PMHAQFSWRKXXBT-HNNXBMFYSA-N 267.388 4.703 30 10 CJEE CCCCCCCCCCCC[C@H](F)[C@@H](CN)OC 2352316844 SWAGPNWEHUPOBJ-JKSUJKDBSA-N 275.452 4.609 30 10 CJEE CCCN[C@@H](CC#CC1CC1)[C@@]1(C)CC[C@@H](C)C1(C)C 2353969854 AADCZUFHWYBTPW-HHXXYDBFSA-N 275.480 4.621 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H]2C[C@H]2C(F)(F)F)NCC)CC1 2356207313 JZILNEXUUBRMIQ-QLFBSQMISA-N 289.385 4.690 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358287060 ZQTBJPFORRJNCZ-FPCVCCKLSA-N 285.422 4.782 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2358405309 IGVJSDSMLQNNCN-RBSFLKMASA-N 289.385 4.527 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCc2ccccc2C1 2359605783 GWPBHMIYUNPVQF-QNDJGXFYSA-N 265.400 4.512 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccc(CCCC)cc1 2360209532 FKBXFAUEFYHKKH-UHFFFAOYSA-N 272.388 4.707 30 10 CJEE Cc1ccc(N/N=C/c2c(Cl)cccc2Cl)cc1 7931058 UYXULJKVKDBLLR-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE C=CCOc1ccc(CNc2cccc(Cl)c2)cc1 21805369 IAQHSDTZULXLNA-UHFFFAOYSA-N 273.763 4.517 30 10 CJEE O=C1/C(=C/c2ccco2)[C@@H](c2ccccc2)c2ccccc21 33336291 IULHXHKALOHGAC-BIRYMOPTSA-N 286.330 4.691 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCc3ccccc32)cc1 36922299 ITHKKMHVZMPLIL-SFHVURJKSA-N 276.383 4.587 30 10 CJEE COc1ccccc1NC1(C#N)CCC(C(C)(C)C)CC1 37938700 IPULEUSRXZPTAC-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE CC(C)c1cccc(N[C@@H]2CCCCC[C@@H]2C#N)c1 54824673 HPEHOHXHQFYFMK-NVXWUHKLSA-N 256.393 4.694 30 10 CJEE COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1C#N 62661295 XGZRHOXVICNITL-YPMHNXCESA-N 263.768 4.536 30 10 CJEE C=CCc1cc(C(=O)CC)ccc1OCCCCC 66118026 CGPYJEYFRIAWKI-UHFFFAOYSA-N 260.377 4.577 30 10 CJEE CCN[C@@](C)(C#N)C[C@H](C)Sc1ccc(C(C)C)cc1 68624428 HAOLLIORRDKHFE-WMLDXEAASA-N 290.476 4.572 30 10 CJEE CCC(CC)(CS)CN1c2ccccc2CC[C@H]1C 94578472 XMKXLTBJINGYJO-CQSZACIVSA-N 277.477 4.564 30 10 CJEE CCC1(CC)CCN(C[C@@H](CS)c2ccccc2)CC1 94579895 SIPHDJWTZCJUIN-KRWDZBQOSA-N 291.504 4.602 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H]1C(C)C 94581839 NBHUQNKICMLKAI-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CC[C@@H](CS)COc1ccccc1-c1ccccc1 94583424 BIHPWTJMAWAWGH-CQSZACIVSA-N 272.413 4.688 30 10 CJEE C=CCCC[C@@H](CCc1ccc(C)cc1)NCCC 97219805 FNEFZYRWSZFDBJ-SFHVURJKSA-N 259.437 4.652 30 10 CJEE N#Cc1cccc(OCCCCCCCCCS)c1 97799688 JWFMVKNPGBYOKO-UHFFFAOYSA-N 277.433 4.598 30 10 CJEE CCCCCCCC(=O)N[C@H](CC)c1ccccc1 100400513 GMZCGKXVAJTYCO-MRXNPFEDSA-N 261.409 4.614 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1cccc(Cl)c1Cl 107499640 YFJOZLCNHSLFJC-JFUSQASVSA-N 259.176 4.664 30 10 CJEE CCC#C[C@H](C)Cc1cc(Cl)c(C)cc1OCC 107621299 YCMHHEXIYAWECW-LBPRGKRZSA-N 264.796 4.639 30 10 CJEE CCCCCCCCn1nc(C)c([C@@H](C)NCC)c1C 108043036 MUGQLCCXINZWBM-CQSZACIVSA-N 279.472 4.531 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](C(C)C)CC[C@@H]1NC 110084021 HQFIYTOSORDUMY-BZSNNMDCSA-N 283.500 4.776 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccccn1 110462813 HNICVZMCGWWMPD-INIZCTEOSA-N 262.441 4.873 30 10 CJEE CCCCCCCCCNCCCOc1ccccc1 110464744 RRVSYGAEAALHRV-UHFFFAOYSA-N 277.452 4.796 30 10 CJEE CC(C)c1cccc(Oc2ccc(F)cc2C#N)c1 111036960 NZCQOCPSWVRHQG-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(F)cc1C 114875178 OARVUMJCBKBWGW-INIZCTEOSA-N 252.373 4.918 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCOC1 114995500 XTDROEMBRVAHSB-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1COc2ccccc2C1 115842437 UFXGCHWBBBITSY-MSOLQXFVSA-N 290.447 4.739 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C)c(Cl)c1 122398562 OIIPSCMUTOGRBZ-MRXNPFEDSA-N 282.859 4.903 30 10 CJEE Cc1cc(N(C)[C@@H](C)c2cccc(Cl)c2)ccc1C#N 126892092 GQUVHSGMHPHZOB-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CCCCCCCC[C@](N)(CC)c1ccc(F)cn1 128784543 BSSPCTUFHIXZCZ-MRXNPFEDSA-N 266.404 4.535 30 10 CJEE C#CC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 129868025 TWJVCMXTZNRSHN-RKDXNWHRSA-N 290.621 4.709 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](OCC)C1CC1 130476448 BWIBIFLSIIYMEL-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CSc1cccc(N[C@H]2CCCC(C)(C)C2)c1C#N 130554643 KRBBAGJYXKMJTR-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@](C)(CC)OCC 130966342 RWILIOUYQHRZDD-DLBZAZTESA-N 286.504 4.554 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(C#N)c(F)c2)c(C)s1 135244429 VCYOAGMIXWYIQO-SNVBAGLBSA-N 274.364 4.549 30 10 CJEE CCCCCCCCCC[C@@H](CCOCC)NC 143434918 MMUDYXHDFQXXPE-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@@H](C)OC)NC 143435515 FHWGCVBMENYPGP-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCC(=O)c1c(OC)cccc1OC 164751871 QDAVGHRLDNSLOE-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCC[C@@H](NCCC)c1nccn1CCC 165902295 RNMUMVWZZUBBAA-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE O=C(CC#Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 196258076 HEJJPFSISWBDPP-UHFFFAOYSA-N 289.161 4.618 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccccc1C(C)(C)C 203440552 JRKFQEJTVNBEFM-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC1CC1 212250725 QGFHDVFZTMAIRT-OAGGEKHMSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cncn1C 214315947 JGMJHBRVNJADRT-INIZCTEOSA-N 279.472 4.731 30 10 CJEE N#Cc1ccc(OCCCCc2ccccc2)c(Cl)c1 228444477 RDWFDRXPOMXBFW-UHFFFAOYSA-N 285.774 4.613 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](N)c2ccc(OC)cc2O1 229058698 SZQXZQRKVGCXPK-FUHWJXTLSA-N 291.435 4.597 30 10 CJEE C=CCC[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC 229383215 YMQQLYXKEZFBRL-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)OC)NCC 230965504 DJGDOJHKBSWCOR-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C(CNCCC)CSc1ccc(C(C)(C)C)cc1 231566593 OZGUTMGYKMUBID-UHFFFAOYSA-N 277.477 4.632 30 10 CJEE C=CCCCCCC(=O)c1cccc(OC(C)C)c1 232678136 RNAKIMSPEIXHCE-UHFFFAOYSA-N 260.377 4.793 30 10 CJEE C=CCCC[C@H](NC)c1ccc(F)c2ccccc12 234418309 CNXGRKJASIEEIB-KRWDZBQOSA-N 257.352 4.596 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 250792745 KLWIUOGBPOADMF-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CC(C)Cc1ccc([C@H](O)[C@]2(C#N)CCC[C@H](C)C2)cc1 251639974 FCWQWKHWONWKQK-ZYSHUDEJSA-N 285.431 4.639 30 10 CJEE CC(C)(C)C1CCC([C@@H](O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252806191 GVIIRYLZABYXER-FNINWESVSA-N 289.463 4.530 30 10 CJEE C=C(C)[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 253050939 UTNBDMGEVACOOM-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE Cc1ccc(N=C/C=C(\O)c2cccc(C)c2)cc1 254736856 HOPGCQRWCOFEQK-RKRLNGQISA-N 251.329 4.605 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@]1(C#N)C[C@H]2CC[C@H]1C2 300515153 APDBNDSCWDZYNF-WNRNVDISSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@@H]2CCCc3ccccc32)C1 311408905 XYZMQYHJJQVHSE-HFTRVMKXSA-N 253.389 4.827 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCC12CCCCC2 313044709 TWSGHPYSDIFVRR-SFHVURJKSA-N 268.404 4.804 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](S[C@](C)(CC)CO)C1 380514338 ALHQDLPATAMPLI-KLZNWCGWSA-N 297.508 4.625 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1c(Cl)cccc1[N+](=O)[O-] 385101665 ZUIWVAGJWXIZCS-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CN)[C@@H]1C 385693034 PCNLZSMQPFRPBL-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE N#CCc1cccc2sc(Cl)c(C(F)F)c12 396195427 WEBPWKWTWSTJOD-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1cc(C)cc(CSC[C@H](C#N)C(C)(C)C)c1 397524368 WWLNIXIIGQEINL-HNNXBMFYSA-N 261.434 4.723 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C[C@H](C)C(C)(C)C)C1 399682486 KALISJRYNQNLJU-YLFCFFPRSA-N 278.484 4.709 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 421512927 XBIFEGZRLIBNBE-BRWVUGGUSA-N 297.442 4.913 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1cccc(Cl)c1 464571694 RCAYSOCZPDHKEX-DOMZBBRYSA-N 279.811 4.510 30 10 CJEE C#CCCCCC[C@H](O)c1cccc(Cl)c1Cl 686672936 PTWMAVCTLZBRLE-ZDUSSCGKSA-N 271.187 4.611 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)ccc1C 686695527 LJPUNQGWNPSGQR-IBGZPJMESA-N 271.448 4.928 30 10 CJEE CCCCCCCCCCNC[C@]12CCC[C@H]1OCC2 687474703 VVGFOFUSJVXTMK-QZTJIDSGSA-N 281.484 4.676 30 10 CJEE CCc1ccc(CC)c(Nc2ccc(C#N)cc2C)c1 689596690 OJMRLDNTRCCWAK-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE CCC1(CC)CS/C(=N/[C@H](C)CC2CCCCC2)N1 694631865 VNVUGBXRDICWSJ-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE C=C(CC)C[C@H](NCCC)c1csc(C(C)C)n1 695382222 QTJPSCFRVPVBGT-ZDUSSCGKSA-N 266.454 4.664 30 10 CJEE CCCCCCCCC[C@H](O)CCNCc1ccccc1 696370493 HWULDOYUPUVRQZ-IBGZPJMESA-N 291.479 4.668 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCC[C@@H](C)CC1 697834411 FCKRDWRVFCWZIC-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE CCC1CCC(C#N)(CCOC2CCCCC2)CC1 701410840 FTUFMEAOUZFRAH-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)[C@@H](C)C(C)C 706682867 ZJCCFUDEFDWRET-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC[C@@H](C2CCCCC2)C1 708236954 XMNMKBFPRANDHR-SJORKVTESA-N 297.552 4.871 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@H](c1ccccc1)[C@H](C)CC 710697303 OWBNYAYXYVJZJZ-COXVUDFISA-N 279.855 4.937 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2c(Cl)cccc21 717654362 ANJLZRLTRFRMJC-UHFFFAOYSA-N 280.824 4.680 30 10 CJEE C=C1CCC(C[C@H](CCC(C)C)NCCC)CC1 724600713 QPQJUBBQICHSEY-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](NC(=O)[C@H](CCC)C(C)C)c1ccccc1 1127383570 FRGRWEKQJGJDBQ-MSOLQXFVSA-N 287.447 4.882 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCC1(C)C 1129783710 DLSINBNOZFBIES-ZWKOTPCHSA-N 299.458 4.506 30 10 CJEE C=CCCCNC(=O)c1c2ccccc2cc2ccccc12 1153498450 FNKOYNRQSIXATE-UHFFFAOYSA-N 289.378 4.689 30 10 CJEE C=CCCCCN1CCc2cc(C(C)(C)C)ccc2C1 1167270769 NQVCQYYZCUQVQW-UHFFFAOYSA-N 271.448 4.699 30 10 CJEE C=CCCC[C@H](NCC1C[C@H]2C[C@@H]2C1)c1ccccc1 1197378339 XLNHYXQOERFIPI-FHWLQOOXSA-N 269.432 4.720 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1ncccc1C 1207783428 GPFGFUGCYGOSAK-CVEARBPZSA-N 260.425 4.566 30 10 CJEE C=CC[C@H](CC)NC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1234351469 KQAAPADMIUBFFC-JYJNAYRXSA-N 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251.458 4.881 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(SC)cc1 2259200951 PXWPMIALWBHQRR-INIZCTEOSA-N 263.450 4.719 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](CC)CCC 2259448238 QCDJDASXVKXZKB-DLBZAZTESA-N 251.458 4.765 30 10 CJEE CCCCCCCCOCC[C@H]1CCCCC1=O 2260344577 QYLKYASBHQUYLE-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE O[C@H](CC#CC1CCCC1)c1ccc(Cl)cc1Cl 2261167775 MEWDBDVXVBYBHR-OAHLLOKOSA-N 283.198 4.611 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H](C)CCC 2262987235 HNTWNFXNQSEDCS-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE SCCCCCCCOC[C@@H]1C[C@H]1C1CCCC1 2263156195 XCWMGDNEELRPJB-HOTGVXAUSA-N 270.482 4.710 30 10 CJEE CCCCCCC[S@@](=N)(=O)C[C@H]1CCCCC1(F)F 2267918586 YMJWGCGXKSHUEE-BFUOFWGJSA-N 295.439 4.829 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(CC2CC2)cc1 2268761749 NVXBGMDBAQTVKS-UHFFFAOYSA-N 252.401 4.787 30 10 CJEE O=C1C=C(c2ccc(C(F)(F)F)cc2Cl)CCCC1 2269717431 OCHQQASPWOSSFZ-UHFFFAOYSA-N 288.696 4.885 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@@](C)(F)CC[C@H]1N 2271596968 PGMIBCVMJWBYQU-OAGGEKHMSA-N 287.488 4.854 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(OC)ccc1Cl 2271755364 WGLGRJZJQCDVBI-INIZCTEOSA-N 281.827 4.746 30 10 CJEE C=C(C)CCCC[C@]1(O)c2ccccc2CC[C@H]1C 2271781328 CRWMLSFHMYBRRC-CRAIPNDOSA-N 258.405 4.593 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1cscc1F 2274138646 QJUROQOGJWADNV-INIZCTEOSA-N 279.424 4.512 30 10 CJEE CCCCCC#CC[C@@]1(O)CC(C)(C)CCC1(C)C 2274488623 LQOMONVYIOKHQR-GOSISDBHSA-N 264.453 4.928 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H](C)[C@H](C)C1 2276760815 FIHLCZZBXGWAGC-BBWFWOEESA-N 269.473 4.517 30 10 CJEE Cc1c(C)c(C)c(CCCCC[C@@H]2CO2)c(C)c1C 2277430845 RUZNMLIWYKNZBA-QGZVFWFLSA-N 260.421 4.730 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H](O)CCC 2278230467 TXJFZZACFMKLPO-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCC[C@H](CC)CSc1nc(C)c(C)cc1C#N 2278318362 HWGCCMCUAMELFU-AWEZNQCLSA-N 276.449 4.879 30 10 CJEE C[C@@H](Nc1c(F)cccc1C#N)[C@H]1CCCC(C)(C)C1 2280477496 CPZVXYBRVOFRLQ-OLZOCXBDSA-N 274.383 4.714 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@H](C)C1 2284086224 OKBKNPJDCHNGBJ-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(F)(F)c1ccnc([C@@]2(C#N)CCCCC2(C)C)c1 2284105304 MHDJZPXSRZAYQO-INIZCTEOSA-N 278.346 4.555 30 10 CJEE C=CCC1(NCCCCCCCCCCCO)CCC1 2286805492 LRVMGHUBPPPXCF-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(C)c(F)c1 2287078711 JCGOWOISNMREAX-KRWDZBQOSA-N 295.467 4.874 30 10 CJEE C=C(C)CCCCN(CC)[C@H](C)c1ccc(C#N)cc1 2287379772 QPTMXUQKILJCKK-MRXNPFEDSA-N 270.420 4.688 30 10 CJEE CC(C)CNC[C@@]1(CC#CC2CCCC2)CC[C@@H](C)C1 2289898698 HFLQWUBYJRTRSE-MJGOQNOKSA-N 275.480 4.622 30 10 CJEE CCSc1ccc([C@H](CC#CC2CCCC2)NC)cc1 2289924529 KZEGQYAMFRKUDP-SFHVURJKSA-N 287.472 4.643 30 10 CJEE Cc1ccc(NCC2CC(CC(C)(C)C)C2)cc1C#N 2289952599 NBEMXOLFRKJEMD-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE CCCCCCCC[C@@H](OCCC(=O)O)c1ccco1 2290629967 ZHGPWURNIJBZCK-CQSZACIVSA-N 282.380 4.563 30 10 CJEE CCCCCCCC[C@H](CC1CC=CC1)OCC(=O)O 2291227981 AMDDQTQGDFHHSS-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC1(OCCC(=O)O)CCCCC1 2291284927 MGYHTUYJFROOQL-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE 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CSc1ccc(-c2cc(CC#N)c(C)s2)cc1 77095563 QXQFEEIYMWSYMM-UHFFFAOYSA-N 259.399 4.512 30 10 CJEE CCc1sc(-c2ccc(OC(C)C)cc2)cc1CC#N 77097159 XBWZXUQEEHYCCI-UHFFFAOYSA-N 285.412 4.831 30 10 CJEE C=C(CC)C[C@@H](CSc1cccc(C)c1)NCCC 97396561 VDMUZXFNUYKXBL-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97419447 ZXFRBPIRYQNGOU-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C[C@H]1C[C@H](C)CN(CCCCCCCCCS)C1 97799169 WGGLUQCBBPIKRH-HOTGVXAUSA-N 271.514 4.625 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(C)c2ccccc2n1 97816840 YCGHBWZIBQHAKW-SFHVURJKSA-N 282.431 4.940 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1Cc2ccccc21 102970725 DGSSRTBQXWFJJI-RDJZCZTQSA-N 259.437 4.665 30 10 CJEE Cc1c(Cl)cccc1Nc1ccc(C#N)c(Cl)c1 103997085 WAGHZGFEINBIIQ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCOc1ccc(C(C)=O)cc1N 104313170 XACKVZLWLHMTIE-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cccc(Br)c1 107494743 VNNFGVJXEBFUPH-VXGBXAGGSA-N 265.194 4.602 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)c(C)cc1OCCC 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232725926 ODBQBJLARIJZCR-BRWVUGGUSA-N 251.458 4.770 30 10 CJEE CCCCCCCCCN[C@@H]1CCC[C@@H]1SC 232947963 BADXXVAUIMRSDT-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCC[C@H](CN)Nc1ccccc1C 232982234 UZTOESVUPGKGOA-QGZVFWFLSA-N 276.468 4.875 30 10 CJEE C=CCCCCC[C@H](NCCC)C(CC)(CC)N(C)C 233123962 RAHQVTXFMFEXNL-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(CC)(CC)N(C)C 233163269 RAHQVTXFMFEXNL-QGZVFWFLSA-N 282.516 4.612 30 10 CJEE CCCCCCO[C@@H]1C[C@H](CCC)CC[C@H]1C#N 249859055 VESVBRFEDFSWJH-OWCLPIDISA-N 251.414 4.692 30 10 CJEE C[C@@H]1CC[C@H](Nc2cccc(OCCCC#N)c2)C[C@H]1C 251825930 NCYYPLBMWOGGDI-INMHGKMJSA-N 286.419 4.606 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(C)nn(CC)c1C 307962877 CNMZUZQTSPPKQY-MRXNPFEDSA-N 280.456 4.694 30 10 CJEE C=CCCCCCCNc1nc2ccccc2s1 310666456 GXACILYVYQBJNW-UHFFFAOYSA-N 260.406 4.845 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1cc(Cl)cc(C#N)c1 310865789 DPKYNMSGAVPXDT-SWLSCSKDSA-N 263.768 4.559 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2cc(Cl)sc2Cl)O1 312674490 ZJYZHGULCUUVEX-APPZFPTMSA-N 276.188 4.579 30 10 CJEE O=CC1(Cc2cc(Cl)ccc2F)CCCCCCC1 316709391 DBTYMABKCDUVJT-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE C=CCCCCC[C@]1(CNCCOC)CC[C@H](CC)C1 318361752 ZFSQKYQCTWGNFY-ROUUACIJSA-N 281.484 4.555 30 10 CJEE CC(C)(C#N)CCCCN1CCCC[C@H]1c1ccco1 365443816 PJEHOROPHDSCMA-HNNXBMFYSA-N 274.408 4.527 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccc([N+](=O)[O-])cc2Cl)C1 380595749 MKRNUVKPQAEJGN-IAQYHMDHSA-N 292.766 4.610 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1csc(OC)n1 380887248 DSBCNHAKVSLCJJ-CQSZACIVSA-N 298.496 4.943 30 10 CJEE N#CCCCCCSc1ccccc1Br 385213094 JMKHDQXEBABALC-UHFFFAOYSA-N 284.222 4.625 30 10 CJEE C=CCCCCCOc1cc(F)c([N+](=O)[O-])cc1Cl 388650179 NMBGVWBBVSRFPE-UHFFFAOYSA-N 287.718 4.513 30 10 CJEE CCCCCCCCNc1nc(C)c(C#N)cc1Cl 388843315 YIMNKTTYRPVNHL-UHFFFAOYSA-N 279.815 4.688 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CC[C@@H](N)C1 394230094 MFWZSSZMQWKBKC-HZPDHXFCSA-N 267.457 4.604 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@]1(C#N)CCCC[C@H]1C 395061126 ZGQKAHOFOKDMQR-DZVNLGKHSA-N 277.452 4.530 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc2ccsc12 395268600 AAGREPVESXQESX-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCCCCCC[C@H](NN)c1ccc2sccc2c1 395321816 UKFJRMFMNFLIBM-HNNXBMFYSA-N 276.449 4.766 30 10 CJEE N#CCc1ccc2c(C(F)F)c(Cl)sc2c1 396183730 ALTHUEHRKGWRKA-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)[C@@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396681514 WVMOHPHNVAWUAB-OKFGHLOFSA-N 278.245 4.781 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)[C@@]1(C#N)CCC[C@H](CC)C1 397732576 WXHYAWFHLDKXKP-MVJTYMMSSA-N 277.452 4.674 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H]1CCCc2sccc21 686690559 BKGJRKKHNUWOJH-DOTOQJQBSA-N 289.488 4.730 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@]1(C)CCOC1 687389163 NMWISBLIHWCWKG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCNC[C@@]12COC[C@@H]1C2 689213772 MXMWIGQBTFOEEF-ROUUACIJSA-N 281.484 4.533 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@@H](CC)C1 692275922 RIODTUSEQUPCIS-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 695062789 ZWYWWFKHAWEIKW-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1C 695178490 MOBOVZVPHXTCJI-JSGCOSHPSA-N 264.800 4.590 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3ccc(C)s3)C[C@@H](C1)C2 697303481 BLKRJQHJRXHNFW-JZWPEALZSA-N 275.461 4.842 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)(C)C 702266854 OQMAJKHYHITBBN-HZMBPMFUSA-N 284.230 4.692 30 10 CJEE Fc1cc(Cl)cc(OC[C@@H](CS)c2ccccc2)c1 703733225 OVPPBCGADMTQOT-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CCC(CC)(CS)CN1CC[C@H](C2CCCCC2)C1 708804904 ZUCRJQBJZPPMPY-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@@H]1CCCC1(F)F 713951348 NIHSOQYAWZPRDP-LSDHHAIUSA-N 285.422 4.620 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCCC(C)(C)O2)C1 714370183 LVJLMQZJDFALLD-HLLBOEOZSA-N 263.425 4.834 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCCC(C)(C)O2)CC1 714384101 XWPCYFVNTBFTPR-AWEZNQCLSA-N 266.425 4.510 30 10 CJEE C=CC[C@H](C)[C@H](O)c1c(Cl)cccc1C(F)(F)F 715011316 SXPCQHKOQKPGEG-UFBFGSQYSA-N 278.701 4.604 30 10 CJEE C=CC[C@@H](C)Nc1ccccc1OCc1ccccc1 715041423 XONWJGJSLMGLBP-OAHLLOKOSA-N 267.372 4.642 30 10 CJEE C=CC[C@H](C)Oc1ccc(Br)cc1C(C)C 715759340 PRAWEABWGMEXIQ-NSHDSACASA-N 283.209 4.916 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1coc2ccccc12 715809966 AXQXLCLWKLXMFA-CXAGYDPISA-N 257.377 4.686 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc2ccccc2c1)NCC 715829771 MGABEHNAACGUTQ-DNVCBOLYSA-N 267.416 4.573 30 10 CJEE CC1(C)CCCCC[C@H]1NCc1ccc(C#N)cc1Cl 718951513 XWGQGFYOICBXSM-MRXNPFEDSA-N 290.838 4.660 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@H](C)O[C@H](C)C1 724300080 SYXBBWWVXQONCV-LTIDMASMSA-N 270.457 4.692 30 10 CJEE C=C1CCC(C[C@@H](Cc2cccs2)NCCC)CC1 724544046 IIRHESXHHCGIMU-INIZCTEOSA-N 277.477 4.795 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H](CCC)OCC)CC1 724571974 ZVFPNRBDOGPIFW-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE C=C1CCC(CC[C@@H](CNC)c2ccccc2)CC1 724614595 AKSDEGGOQRXWFA-SFHVURJKSA-N 257.421 4.516 30 10 CJEE CSc1c(CC#N)sc2c(C(F)(F)F)cccc12 725316512 ZHXKRIGWZRNJJZ-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE N#Cc1cc(OC2CCCCC2)cc(OC2CCCCC2)c1 725422590 XTLLTMQVJACWOY-UHFFFAOYSA-N 299.414 4.981 30 10 CJEE Cc1ccc(NN=C2CCC[C@H]2c2ccc(Cl)cc2)nc1 741465254 ZXZAKXVCIGQBHT-HNNXBMFYSA-N 299.805 4.779 30 10 CJEE C=CCCc1ccccc1NCc1cccc(OCC)c1O 800293636 WYDPGMQIZLMNJZ-UHFFFAOYSA-N 297.398 4.522 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 1125524790 KDDOGAXWKLFPPT-HKUYNNGSSA-N 297.442 4.599 30 10 CJEE C=CCC(C)(C)CNc1nc(-c2ccccc2C)ns1 1163378630 SOSJKGRCZHVWGU-UHFFFAOYSA-N 287.432 4.528 30 10 CJEE C#CCCCCCCN(C)C[C@H](C)C1CCCCC1 1196817887 CPJHNYOWXVKPBL-KRWDZBQOSA-N 263.469 4.718 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCC[C@H]1C(C)(C)C 1206247608 LEALOHAOULHMNT-XHSDSOJGSA-N 251.458 4.926 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H](C)CC(C)C)c1ccccc1 1288364530 PDXGPDUWTODYCT-FUHWJXTLSA-N 287.447 4.882 30 10 CJEE C=CCC1(CNC(=O)Nc2ccc(Cl)cc2)CCCC1 1310101442 DPKHSSBYPLMNNP-UHFFFAOYSA-N 292.810 4.598 30 10 CJEE C=CCN(C(=O)c1cscc1C(F)F)c1ccccc1 1353746910 WHIGWISBGSQQQS-UHFFFAOYSA-N 293.338 4.519 30 10 CJEE C[C@@H](CCC#N)CN1CCc2c(-c3ccccc3)cccc21 1462049850 HCIKMFNFWSAWLN-INIZCTEOSA-N 290.410 4.656 30 10 CJEE C=C(CC)COc1cc(C(F)(F)F)ccc1Cl 1472941977 LKKINFFRASBMDK-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CCC[C@H](NCCOC1CCCCC1)c1ccccc1 1473327396 PZQQNEJIFRVYTA-IBGZPJMESA-N 287.447 4.633 30 10 CJEE C=CCCCCCCCCNC(=O)C=C1CCCC1 1524262519 OPWXWYFVUDZLHE-UHFFFAOYSA-N 263.425 4.520 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc([C@@H](C)CC)cc1 1534975158 PJOQAXCCRPQMOH-HNNXBMFYSA-N 287.447 4.922 30 10 CJEE C=CCCCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 1536440675 WMKSDCHIFAGTAV-LJQANCHMSA-N 299.458 4.747 30 10 CJEE C=CCC1(NCc2nc3ccccc3s2)CCCCC1 1560070775 MLEZEUJCXPZIJX-UHFFFAOYSA-N 286.444 4.665 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1560791284 FVBLNSDQARIXMG-HYVNUMGLSA-N 277.839 4.920 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1CSc2ccccc21 1560848482 JCQLLGSKHSBYOO-HUUCEWRRSA-N 275.461 4.600 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 1621307711 ROKNEVYJYYBQAB-HNAYVOBHSA-N 282.431 4.660 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCc2cccc(Cl)c2C1 1621473892 DHKCSAPKJHDCAK-HNNXBMFYSA-N 291.866 4.779 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H](C)Sc2ccccc2)C1 1650629925 BOXUYKWHXGGQRE-ARFHVFGLSA-N 275.461 4.502 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(OC)c(C)cc1C 1652287923 JCAGWYCWZQUEHL-OAHLLOKOSA-N 261.409 4.859 30 10 CJEE C=CCCCC[C@H](C)NCc1ccc(SC)c(C#N)c1 1653101350 VPYYRJZOWYJLOP-AWEZNQCLSA-N 288.460 4.505 30 10 CJEE C=CCN(CCc1ccccc1)CCc1ccccc1Cl 1653271714 MUTIIKSIABJJME-UHFFFAOYSA-N 299.845 4.613 30 10 CJEE CCCCCCCCCCN1CCCSCC1 1654044093 XFFVSNNCIHQWDB-UHFFFAOYSA-N 257.487 4.566 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC(C)(C)C[C@H]3C)cc21 1658997280 AZVBAONQWLMXGH-RHSMWYFYSA-N 297.446 4.849 30 10 CJEE N#Cc1cc(Cl)ccc1OC1CC2(CCCCC2)C1 1878970657 LDOQUCXSKHSKLN-UHFFFAOYSA-N 275.779 4.703 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCC[C@H]1OC 1883847837 VVBVNFCOJMSBKP-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE C=CCCCCCN(C)[C@@H](CCC)c1ccccn1 1884235372 NZOZHRCGKYQCID-KRWDZBQOSA-N 260.425 4.601 30 10 CJEE CC#CCCCC[C@H](NC)[C@@]12CCCC[C@@H]1CCC2 1885229750 UGAWAGFCRNOVGK-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CCO[C@@H]1C 1885729299 AOCTYHCBSFCRTG-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C#CC[C@H](C[C@@H](N)CCCCCCCCC)C1CC1 1887450778 AHJCYBWZQVPTCV-MSOLQXFVSA-N 263.469 4.894 30 10 CJEE C#CC[C@@H](C[C@H](N)CCCCCCCCC)C1CC1 1887450781 AHJCYBWZQVPTCV-ZWKOTPCHSA-N 263.469 4.894 30 10 CJEE C#CC[C@H](C[C@](C)(CCCC)CNC(C)C)C1CC1 1887451625 GARIPGIWCQQHNQ-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 1893352714 JGWAJYQFAVTNOF-UXJCHEOYSA-N 263.469 4.760 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1C[C@]12CCCOC2 1896723696 JPSMKKIBXUYDKZ-WBVHZDCISA-N 266.425 4.513 30 10 CJEE CC[C@@H](N=C1N[C@H](C2CCCC2)CS1)C1CCCCC1 1911883444 ILCNQZPLVHGXSN-CVEARBPZSA-N 294.508 4.597 30 10 CJEE C=C[C@H]1CCCN1c1ccc([C@@H](C)NCCC)c(Cl)c1 1916813796 OGZPMVSEWZRPRL-KGLIPLIRSA-N 292.854 4.555 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1OCC[C@@H]1C 1918110254 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FPGXSUYKRZAWCW-JTQLQIEISA-N 290.209 4.967 30 10 CJEE C[C@H]1C[C@H](OC[C@@](C)(CS)C(C)(C)C)C[C@@H](C)S1 2327116631 VIHCDWYXAQVLAL-XFMPKHEZSA-N 290.538 4.658 30 10 CJEE CCCCCCCCCN(C)C1CC2(CSC2)C1 2328165944 PABRPJTYTNYTKS-UHFFFAOYSA-N 269.498 4.564 30 10 CJEE CS[C@H]1C[C@H](CC2(C=O)CCC(C(C)(C)C)CC2)C1 2335852867 LRJHOBMQYVQXHO-NYKLAOPUSA-N 282.493 4.940 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2337078995 JWJWQEJEAQPNFE-VNIVASGNSA-N 261.453 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CC(C)(C)CC(C)(C)C1 2337111077 IFRDERQUWYAMAG-ZBFHGGJFSA-N 263.469 4.926 30 10 CJEE CC(=CCOc1nc(Cl)c(C#N)s1)CCCC(C)C 2338505987 LCCAOXATOZSPTA-UHFFFAOYSA-N 298.839 4.820 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(CC2CC2)CC1 2338735349 KOJZSEVLFDYRCB-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C#CCCCCCCNc1ccc2ccccc2c1 2338810370 PMUUCPVQWGVFCK-UHFFFAOYSA-N 251.373 4.835 30 10 CJEE C=CCCCCCCCCN1CC[C@H](SC(F)F)C1 2340104077 SNIHXWYCRGBNMM-AWEZNQCLSA-N 291.451 4.933 30 10 CJEE C=CCC(C)(C)CO[C@H](C)CCCCN[C@H](C)CC 2340375824 GXPWYUMFFJAOIG-HZPDHXFCSA-N 269.473 4.552 30 10 CJEE C#CCCCCC[C@H](CCC[C@@H]1C[C@H]1C)NCCC 2341493778 DNKIPXJRWASYQI-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343071695 AAUWCJLHPFZNRY-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CC[C@@H]2C(C)(C)C)CC1 2343200826 DAPOZGYBNIUBHQ-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@]1(C)CCCCC1(F)F)NCC 2344347603 CQIGIHPQOLEUTM-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1[C@H]2CCCCC[C@H]12 2344349205 QTVSMXIRJUPHTQ-YQQAZPJKSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(C2CCC2)c1 2344458580 AHJUCHHNAQZZEB-QZTJIDSGSA-N 258.405 4.980 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1c(F)ccc(CC)c1F 2344463158 CYJCFUQFIYBMRE-CVEARBPZSA-N 268.347 4.553 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCCC12CCCCC2 2352177282 WBXNVTJEABJXIZ-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353046986 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OOPFJAHZADWBBI-UHFFFAOYSA-N 285.206 4.502 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC[C@@H](C)[C@@H](C)C2)CC1 91887063 DZNHGZPRMQOMLY-VGAKTEPXSA-N 277.452 4.530 30 10 CJEE FC(F)(F)c1ccc(OCC2(CS)CCCC2)cc1 94582296 RHIHIJGPWWNOQP-UHFFFAOYSA-N 290.350 4.574 30 10 CJEE CC[C@@H]1CC[C@@H](C)N1CCCCCCCCCS 97799558 NIIHPSDFVBAVPC-HZPDHXFCSA-N 271.514 4.910 30 10 CJEE CCCCCCCCCC[C@@H](O)Cc1cccnc1 107681626 WKPCQUAYLCBXIJ-QGZVFWFLSA-N 263.425 4.516 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)c(OC)c(OC)c1 108406051 ITYJHOLMVHWONS-CQSZACIVSA-N 299.842 4.718 30 10 CJEE CCCCCCCCNc1ccc(F)cc1OC 109934856 RVMWQLLBPWBMLF-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cc(C#N)ccc2C)c(C)c1 109945364 YBXBKNHMUMUGOF-INIZCTEOSA-N 278.399 4.965 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(F)c1)[C@@H](C)N 109988760 ZDWMUCTVEFSZAH-RHSMWYFYSA-N 281.415 4.591 30 10 CJEE CCCCCCCCCCN1C[C@@H](C2CC2)NCC[C@@H]1C 114079448 XPKCLOJZQLRWGB-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(COC)c1 115198512 BAOIQWGMUOPNSS-QGZVFWFLSA-N 264.409 4.617 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(CC)N(CC)CC 118156118 LBHRTYJFYGTDBC-ZWKOTPCHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCCCNc1ccc([N+](=O)[O-])c(C)n1 124028976 WGWWKBRTFMHZIJ-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CSc1cccc(N2CCC[C@H](C(C)C)CC2)c1C#N 136671266 VSVKVQYQXIRAEH-AWEZNQCLSA-N 288.460 4.543 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)cc1Cl)C(C)C 162261586 VJACTRBAQHJNAX-AWEZNQCLSA-N 294.870 4.801 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ncc(C)cn1 164862471 YYROADDSVVCPHZ-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C)c1Cl 167714844 LYNVYUSRYGATGP-CQSZACIVSA-N 251.801 4.655 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)c(C#N)c1 218180926 VSHNQPSFIODOIN-VMGRFDJRSA-N 274.383 4.570 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3o2)C1 222258379 BGNAZHZHLQTLBY-JMSVASOKSA-N 286.400 4.638 30 10 CJEE CCCCCCC[C@@H](NCC)c1cncc(OCCC)c1 229124245 QBNMYQFSDIXEKG-GOSISDBHSA-N 292.467 4.882 30 10 CJEE C=C[C@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 229321382 GVFVATABAJUXFH-ZANVPECISA-N 258.192 4.609 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(Br)c1C 229736978 RPKWILVJXCQULM-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2ccc(F)cc2Cl)CC1 232784942 USWAYYOAULELEN-CQSZACIVSA-N 295.785 4.623 30 10 CJEE CCCCCCCCC[C@@H](C#N)NCc1cccs1 232923319 AEQQTQCKCSTGHO-HNNXBMFYSA-N 278.465 4.871 30 10 CJEE CCCCCCCCCC[C@@H](N)CC1(OC)CCC1 232939161 KLJORKUWJVLAOV-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(OC(F)(F)F)cc1 236303168 ZDDKKBIMHDIFJU-AWEZNQCLSA-N 287.325 4.722 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CSc3ccccc32)C1 252644745 PERQLSCMQXLHBY-KEYYUXOJSA-N 271.429 4.986 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1C[C@H]2CC[C@H]1C2 253042410 METQABJBXZXELA-QAETUUGQSA-N 251.458 4.891 30 10 CJEE N#CC1(c2ccc(CC(F)(F)F)cc2)CCCCC1 260040823 CHMVSQMTSGPSQK-UHFFFAOYSA-N 267.294 4.517 30 10 CJEE N#CC1(c2ccccc2SC2CC2)CCCCC1 260837854 LEOKTKSGJGJFIV-UHFFFAOYSA-N 257.402 4.667 30 10 CJEE C[C@@H](C#N)CCC1CCC([C@@H](F)C(F)(F)F)CC1 261118770 HWRZTAKPUOUXNE-HBIQZDMRSA-N 265.294 4.633 30 10 CJEE N#Cc1ccc(Cl)cc1OCCC1CCCCC1 302269345 QXAHTZJIMOYODW-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1CCC(F)(F)C1 310411419 KZSSJSUCLNZFNF-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCCCCCCCC(=O)CCC1(OC)CCC1 311180730 XQHZSIPJTXEELC-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE Cc1ccc(Br)cc1CC1(C#N)CCCCC1 314627698 QIKASKUNSJVYIS-UHFFFAOYSA-N 292.220 4.774 30 10 CJEE CC1CCC(C=O)(Cc2cccc3ccccc23)CC1 317156733 MFWZIQLSZACGPY-UHFFFAOYSA-N 266.384 4.778 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1csc(Cl)c1 379001274 UYXIAWFMOQBKQC-AWEZNQCLSA-N 271.857 4.524 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cc(C)n(C)n1 379707351 NPPDHHXHNZYELD-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccc(Cl)c(Cl)c1 384768219 BLAWEVTUBDOZMP-IINYFYTJSA-N 268.187 4.866 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 385128169 GSBYZHRCROVAFD-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2cc3ccccc3s2)O1 388417593 MBWKZZSDEJJLKV-HZPDHXFCSA-N 271.385 4.599 30 10 CJEE CCN(C[C@H](C#N)C1CCCCC1)c1ccc(C)cc1 397240100 FFHNQLRHSWJHRH-KRWDZBQOSA-N 270.420 4.541 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)[C@H]1CCCN1 400470934 XVBJSOQVUUDBJY-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H](CC)CC(F)(F)F 402754578 WUEVUBBJXOYWQL-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE CCCC(CS)(CCC)CN1CCCCCCCC1=O 403913938 AGNSXNWPSUANAA-UHFFFAOYSA-N 299.524 4.686 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](C)OCc1ccccc1 404388484 QXPWUCHCDFEPAZ-IEBWSBKVSA-N 289.463 4.706 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@@H](C)c2ccccc2C)no1 577323515 GIPTVHIWZZGGRP-KGLIPLIRSA-N 270.376 4.600 30 10 CJEE C#CCCCCC[C@@]1(CNCC(C)C)CC[C@H](C)C1 686701329 QRPBWDJPOCZOIC-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC2CCOCC2)C1 687983199 XYIVQUXLUKEXHU-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE CCCCCCCOCc1ccc(C)nc1NCCC 688613047 SRKDXRXYCVVAKJ-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3CCC[C@H]4C[C@@H]43)n2)cc1 691653019 QQKLZFJBLCROSX-ZNMIVQPWSA-N 280.396 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1c(F)cccc1F 692233452 AZYMUJLJPPGCMS-WOSRLPQWSA-N 279.374 4.750 30 10 CJEE CCCCCCCOCCC[C@@H](NC)c1ccccc1 694999964 GCSFFMJXGGGSCA-GOSISDBHSA-N 277.452 4.714 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(OCCC)cc1 701918266 GGSLFLMSBNAYCN-HNNXBMFYSA-N 275.436 4.728 30 10 CJEE CCCc1ccccc1Oc1ccc(C)cc1C#N 703854260 AKROPSQFTVHPNT-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCSc2c(F)cccc21 703995407 FFIRWPQOBIFKHZ-OAHLLOKOSA-N 293.451 4.945 30 10 CJEE CCCCCCCC[C@@H]1CCCN[C@H]1C(F)(F)F 706728023 NVWHETKCHNUOKP-CHWSQXEVSA-N 265.363 4.668 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2ccc(C)cc2Cl)C1 710740996 PDPBIAZVTVSFEE-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cscc1Cl 711554267 HGZGFZFAQUSWJT-LLVKDONJSA-N 264.221 4.585 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H]1C1CC1)NC 712977805 DDPIAJRAZMEQTB-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)c(C(F)(F)F)c1 715732596 KSRKKSSJLYUWJU-SWLSCSKDSA-N 285.353 4.877 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCCCCC2(C)C)c1 718966334 ROBGNQYEHWZFAS-INIZCTEOSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](C)[C@@H]1CCCO1 720221680 GNQJEHXUXFPWDR-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](C[C@@H](COC)C(C)C)NC 721723066 FJJKPEMEXDZBQP-DLBZAZTESA-N 271.489 4.634 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2csc3ccccc23)C[C@@H](C)O1 724293250 VMUBGSVFHXJNDJ-LAQFHYBYSA-N 285.412 4.541 30 10 CJEE C=C1CCC(C[C@H](CS[C@H](C)CC)NCC)CC1 724550006 NEZYNXCGVLCWSC-GDBMZVCRSA-N 269.498 4.633 30 10 CJEE C=C1CCC(COc2ccc(Br)cc2C)CC1 724569686 KHFBVRNPDJIFOE-UHFFFAOYSA-N 295.220 4.883 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 724571047 KNBZFGIBDQBVLO-BPQIPLTHSA-N 263.469 4.783 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCCC(F)(F)C1 793545790 CTOWBXBWIQJHNW-KBPBESRZSA-N 259.384 4.679 30 10 CJEE C=CCCC[C@H](NCc1ncc(C)s1)c1ccccc1 880390450 RDMXGBUHLBCTRG-INIZCTEOSA-N 286.444 4.639 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)C=C 931059490 LCLQJLIHBZMDBO-UHFFFAOYSA-N 286.419 4.625 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C/C=C/C(=O)O 1077991948 YQIDBBQAWLMULK-GDDKZQTPSA-N 276.420 4.816 30 10 CJEE biogenic C=C(C)CCC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1127775055 FPKJLDACOBNCBJ-SFHVURJKSA-N 285.431 4.660 30 10 CJEE C=CC1(CC(=O)N[C@H](C)C2CCC(F)CC2)CCCCC1 1131518230 PQMRXMCNNSLPOQ-QQFBHYJXSA-N 295.442 4.546 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H](C)C1CCCCC1 1133174137 VJLLILURKFVUNU-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=CCCCN(CC)C[C@@H]1CC[C@@H](c2ccccc2)C1 1176797586 ATMUABVKNHUYQF-IEBWSBKVSA-N 271.448 4.858 30 10 CJEE C=CC[C@H](NC[C@H]1CCC[C@@H](CC)C1)c1ccncc1 1177885285 OCPXEWDRUIQMKI-RYRKJORJSA-N 272.436 4.505 30 10 CJEE C=C[C@H]1CCCCN1Cc1cccc(Cl)c1Cl 1193942784 PFUVVQYLQSDCKF-LBPRGKRZSA-N 270.203 4.534 30 10 CJEE C=C(C)CCN(CCCC)Cc1c(C)oc(C)c1C 1198020050 JGTDNEKNYGAPRX-UHFFFAOYSA-N 263.425 4.773 30 10 CJEE C=CC1CCN(C(=O)[C@@H](C)CCCCCCCC)CC1 1265170536 UVRNBGQLHMNXDS-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=CCCCCCCNC(=O)C(C)(C)CC(C)(C)C 1271944987 PBEGPMHWLWVGTJ-UHFFFAOYSA-N 267.457 4.702 30 10 CJEE C#Cc1ccc(CNC(=O)[C@](C)(CC)CCCCCC)cc1 1298093221 PSGMVXMBKVBDRT-HXUWFJFHSA-N 299.458 4.671 30 10 CJEE C=CCCCCCCNC(=O)NCCC1=CCCCCC1 1312468507 ZCMVVWBAHKCRPF-UHFFFAOYSA-N 292.467 4.703 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)ccc2C)CCCCC1 1347863844 PIBMPMUCDRWMQS-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=C(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1349327823 UZLLQGPBXYISHN-UHFFFAOYSA-N 291.700 4.654 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1OCCC 1355036435 AFJANKJJCVCNKW-LBPRGKRZSA-N 295.810 4.670 30 10 CJEE C=CCN(CCc1ccc(F)cc1Cl)c1ccccc1 1462101581 DTVWJUSGVVYERZ-UHFFFAOYSA-N 289.781 4.714 30 10 CJEE C=C(C)CCN(C)c1ccc2c(c1)oc1ccccc12 1473482660 XJKMQYSICDOHKU-UHFFFAOYSA-N 265.356 4.988 30 10 CJEE C=CCC1(C(=O)Oc2ccc(F)c(C)c2)CCCCC1 1518350989 UGWBGPMBTYLFJE-UHFFFAOYSA-N 276.351 4.566 30 10 CJEE C=CC[C@@H](OC(=O)C(C)C)c1ccc(Cl)c(Cl)c1 1519082119 NEHOJGLPHDOADJ-CYBMUJFWSA-N 287.186 4.810 30 10 CJEE C=C(C)[C@@H](NC(=O)C[C@H](C)CCC)c1ccc(F)c(F)c1 1523651210 GFDDLYHLDATUAY-SJKOYZFVSA-N 295.373 4.525 30 10 CJEE C=CC1(CC(=O)Nc2cc(C)cc(C)c2)CCCCC1 1524392784 KIVKCCWQTUYXJT-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=CCCCC(=O)Nc1ccccc1OCc1ccccc1 1530538318 QBGMUJVBFCAGAB-UHFFFAOYSA-N 295.382 4.560 30 10 CJEE C=CCN(C(=O)[C@H](CC)CC1CCCC1)c1ccccc1 1532545450 QMIBEOLUCUKRNE-QGZVFWFLSA-N 285.431 4.812 30 10 CJEE C=CCN(CC[C@@H]1CC1(Cl)Cl)CC1CCCCC1 1559537861 IBQZSALHWARXAZ-CQSZACIVSA-N 290.278 4.639 30 10 CJEE CCCCOc1ccc(C#Cc2ccccc2C)cc1 1614826203 XWQGLUJXUDRGPO-UHFFFAOYSA-N 264.368 4.574 30 10 CJEE C=C[C@@H](OC(=O)c1cc2occc2s1)c1ccccc1 1617548294 HOYHICRTIWZYNE-GFCCVEGCSA-N 284.336 4.578 30 10 CJEE C=CCCCN(Cc1ccccc1Cl)CC1CC1 1617859979 JWAKBXTZKJJXBL-UHFFFAOYSA-N 263.812 4.518 30 10 CJEE C=CCC(C)(C)CNCc1cc2ccccc2s1 1620950054 NQKZQQQHEPAVEM-UHFFFAOYSA-N 259.418 4.593 30 10 CJEE C=C(CC(C)C)C(=O)NC1CCC(C(C)(C)CC)CC1 1624075833 AFOLFGFUPDNRLI-UHFFFAOYSA-N 279.468 4.700 30 10 CJEE C=CC[C@H]1CCCN(C(=O)CCC(C)(C)c2ccccc2)C1 1628820018 DRGXINIPQSSXPO-KRWDZBQOSA-N 299.458 4.559 30 10 CJEE C=C(C)[C@H](Nc1nc(CC)cs1)c1ccc(F)c(F)c1 1642593273 QFBJZXHSYQKADT-AWEZNQCLSA-N 294.370 4.713 30 10 CJEE C=C(C)CCN1CCC[C@]1(C)Cc1cccc(Cl)c1 1643672742 JQIJMBWVUJKJGH-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC1(C)C 1643802188 BUSRZIAPJWHPGU-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C#C[C@@H](C)N(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1645453179 FSFMLUWWNMPKGY-CQSZACIVSA-N 299.801 4.586 30 10 CJEE Cc1ccnc(NCC2CC(C)(C)CC(C)(C)C2)c1C#N 1651224422 FZGOQOUECUMHRD-UHFFFAOYSA-N 285.435 4.526 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCc1ccc(OC)cc1 1651515145 GLKKCNYOCOSBCB-INIZCTEOSA-N 289.463 4.598 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCC(C)C)c1ccc(Cl)cc1 1652580930 XVCIKXIGTCMVHE-WMLDXEAASA-N 277.839 4.819 30 10 CJEE C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H](C(C)(C)C)CC1 1657871229 GARCHQKQOHDURN-OWSLCNJRSA-N 293.495 4.552 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H](C)c1ccc(F)cc1 1658569302 YRZJFUIYFLIEOA-MRXNPFEDSA-N 289.438 4.998 30 10 CJEE C=CC[C@H]1CCCN(Cc2c(C)cc(Cl)cc2C)C1 1660234207 JRLHIWNEFBCLQM-HNNXBMFYSA-N 277.839 4.745 30 10 CJEE CCCCCCCCC(=O)c1cc(C(F)(F)F)on1 1878082505 FGFNNNNZQCNMBV-UHFFFAOYSA-N 277.286 4.627 30 10 CJEE CC(C)(C(F)(F)F)[C@@](C)(C#N)Nc1cccc(Cl)c1 1878632901 UKWXTRYAYTWOAW-GFCCVEGCSA-N 290.716 4.623 30 10 CJEE CC#CCCC[C@@]1(CNC(C)C)CCC[C@@H](CC)C1 1879644789 QURVACNXBPVIFY-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(N)CC[C@H](C)C1 1880450077 MXTLFZRPOYZSPP-RDJZCZTQSA-N 267.457 4.604 30 10 CJEE C=C(CN(C)CC(CC)(CC)CC)c1ccccc1 1883327318 COWVRJUQWYMBQO-UHFFFAOYSA-N 259.437 4.848 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)C(C)(C)C1CC1 1888689644 SCAYYCVLMBLWNH-KRWDZBQOSA-N 257.421 4.504 30 10 CJEE C=CCCN(CC[C@@H]1CC[C@H]1C1CC1)Cc1ccccc1 1891517960 VJGZVPPMMYFCOE-PMACEKPBSA-N 283.459 4.891 30 10 CJEE C#CCCCCC[C@H](NC)C1CC2(CCCCC2)C1 1912630994 QRXKKYAMDUIDQG-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(C2CC2)c1 1913025488 LSMQTOVPKJRYFK-BBRMVZONSA-N 256.393 4.506 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1917314603 BQYNXLYOSNTYNG-NRKLIOEPSA-N 250.426 4.534 30 10 CJEE CCCCCCCC(=O)[C@@](C)(O)c1csc(Cl)c1 1919398420 GBUHCPCNONDBMO-AWEZNQCLSA-N 288.840 4.539 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CC1CCC(F)CC1 1919426678 LZUHVCLMVTZQLD-VMBOVVBDSA-N 286.431 4.585 30 10 CJEE CCCCCCC[C@@]1(O)CCCc2ccc(OC)cc21 1919633835 ONGFLPQLQZRCKN-GOSISDBHSA-N 276.420 4.580 30 10 CJEE C=C([C@@H](NCC)c1cccc(C)c1Cl)[Si](C)(C)C 1922852718 WBACGCVEJBXTSI-OAHLLOKOSA-N 281.903 4.733 30 10 CJEE C=C([C@H](N)c1cccc(OCc2ccccc2)c1)C(C)(C)C 1932497300 ZSTFIRSMQCLYNF-IBGZPJMESA-N 295.426 4.868 30 10 CJEE C=CCCCCCCN[C@@H](C)CSC(C)(C)C 1941169963 UYJZKZNTMAVYKI-AWEZNQCLSA-N 257.487 4.633 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H]1CCc2sc(Cl)cc21 1947380946 HZMWANMDZSIYRK-CMPLNLGQSA-N 269.841 4.723 30 10 CJEE C=CCCCc1cc(Br)ccc1Cl 1953820361 NRKLYBGNTWWBOB-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE C=CC1(C[C@@]2(N)CCCC[C@@H]2OCc2ccccc2)CCC1 1960778532 KFKYGRLKMLJBBI-ICSRJNTNSA-N 299.458 4.590 30 10 CJEE C=CC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCC1 1965671121 BFGUKDUPCCVAGC-UHFFFAOYSA-N 290.716 4.665 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cc(Cl)ccc1Cl 1975932587 OQYJYBSISSULOD-RNCFNFMXSA-N 258.192 4.596 30 10 CJEE C=CCCCCCC[C@H](NC)c1ncc(Cl)s1 2026005877 XXJFUJZVQVHVFY-NSHDSACASA-N 272.845 4.584 30 10 CJEE N#C[C@@]1(CC[C@@H]2CCCC2(F)F)C[C@H]2CC[C@H]1C2 2027650395 KVTDEMAYMUOBCB-XDQVBPFNSA-N 253.336 4.532 30 10 CJEE CCCCCCCCC[C@H](O)C(F)(F)CC1CC1 2032935013 ZHIVIOCCEUNOLQ-AWEZNQCLSA-N 262.384 4.923 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1CCCCCC1 2040524721 DYRCVXIHWPGDFM-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H]1CCCC[C@@H]1CNC(C)(C)C 2040533878 NTGZUPAHIXAMJD-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](O)[C@](C#N)(CC)CCCC 2045994118 TZVPXEADYGXXQJ-HZPDHXFCSA-N 253.430 4.818 30 10 CJEE C=C(C[C@@H](CCCCCCCCC)NCC)OC 2051382868 ZIZXJJUHSSBRFU-MRXNPFEDSA-N 255.446 4.655 30 10 CJEE CCCCCCCNCC1(C)CCC2(CC1)CC2 2056533280 ACOVTFZWJAQIET-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)c(F)c1F 2056830442 DNNCDVPSPAEWAX-ZJUUUORDSA-N 273.754 4.624 30 10 CJEE Cc1ccoc1CSc1cc(Cl)c(C#N)cc1F 2057250647 WZSXCBDMHXDCPP-UHFFFAOYSA-N 281.739 4.545 30 10 CJEE C=CCCCCC[C@@H]1CC[C@@H](NCCC)[C@@H]1CC 2058725579 NDTZAACYHLSIGJ-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@H](N)C1(F)CC2(CCC2)C1 2064536198 DNXRYLAXJAFIGF-CQSZACIVSA-N 255.421 4.737 30 10 CJEE CC(C)C(CC1(C=O)CCC(F)(F)CC1)C(C)C 2068841826 HLRGNCLQSUDFHH-UHFFFAOYSA-N 260.368 4.699 30 10 CJEE CC#CCCCC[C@@H](CC(CC)CC)NCCC 2075363148 PQSQVGJLHAJSCG-KRWDZBQOSA-N 251.458 4.765 30 10 CJEE CC#CCCCCCC[C@@H](NCCC)C(C)(C)C 2075365456 ONSHNXXEUYQWOU-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE C=CCCCCC[C@@H](O)c1c(Cl)cccc1OC 2075706899 PUCRQHKRQOEBEJ-CYBMUJFWSA-N 268.784 4.519 30 10 CJEE CCCC#CC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2083392425 ZSXLASGWMJUZFH-HNNXBMFYSA-N 285.214 4.785 30 10 CJEE C=C(C)C[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2083556366 YCLIKTDMXQSDEJ-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE CCC(CC)(CS)COCc1ccc(C)c(C)c1 2083842182 GSQJXMVECGKBMC-UHFFFAOYSA-N 266.450 4.556 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H](CC)CC(F)(F)F 2085848803 FBLJQZIGTHATAX-STQMWFEESA-N 265.363 4.819 30 10 CJEE C=CCCCCCCCC[C@@H](N)CCC(F)(F)F 2086261210 IWQXPOLLAQSHQP-CYBMUJFWSA-N 265.363 4.963 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccccc2CCC)CC1 2088228652 YJYJVYHXCRLDDV-GOSISDBHSA-N 257.421 4.775 30 10 CJEE C=C(C(C)(C)C)[C@](C)(N)c1cccc2ccccc12 2098582774 YXEHKWNSNZPJOB-SFHVURJKSA-N 253.389 4.616 30 10 CJEE C=C1C[C@H]1CC1(CNCC(C)C)CCC(C)(C)CC1 2102471053 MIDCKZGNGVDPOA-INIZCTEOSA-N 263.469 4.785 30 10 CJEE C=C1CC(CNC(C)C)(CC2CCC(C)(C)CC2)C1 2103345617 KFJUDZBARZZZHD-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC(=O)c1c(C)nc2sccn12 2107731741 RGZUYSKPCHPPQG-UHFFFAOYSA-N 278.421 4.638 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)ccc1OC(F)F 2107804519 QPSYCMWFDSIDKP-TVQRCGJNSA-N 289.753 4.544 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(SC(F)(F)F)cc1 2107998278 WGVNDBJZOBHJAJ-CYBMUJFWSA-N 289.366 4.915 30 10 CJEE CCCCCCC[C@](C)(O)CC1C[C@@H]2[C@@H](C1)C2(F)F 2108053830 FGZQNWNXQRERRF-KFWWJZLASA-N 274.395 4.779 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1CCCC1(F)F 2110370466 DUKPXYNQDMMERA-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE Cc1cc(C)c([C@@H](O)[C@@]2(C#N)CCCC(C)(C)C2)s1 2112239683 YGBVZAIBJUDSOL-ZBFHGGJFSA-N 277.433 4.509 30 10 CJEE N#C[C@@]1(Cc2cc(Cl)ccc2F)CCCCC12CC2 2116990160 JPRRKJHLEIYQPI-INIZCTEOSA-N 277.770 4.886 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CC=Cc1ccccc1 2117031933 BVGAWHYOVRZRKZ-SFHVURJKSA-N 256.389 4.875 30 10 CJEE O=C[C@@]1([C@H]2CCCC(F)(F)C2)CCCCC12CCC2 2117056624 WGMPRHHFBNTNCK-DZGCQCFKSA-N 270.363 4.742 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)CCC2(CC1)CC2 2120109871 VMHMNECMDIVFAT-CLLJXQQHSA-N 265.347 4.532 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]1(N)C[C@@H]1C 2122059041 WWPNOFUMRDPXDV-DOTOQJQBSA-N 267.457 4.604 30 10 CJEE C=CCCCC[C@H](NC)c1c(C)oc2ccccc12 2123080852 QOASRSAPIPNJNK-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1CC2CCC1CC2 2123087822 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4.522 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3CCC(F)(F)C3)n2)cc1 312166142 RKWWQHZZNSYLTD-GFCCVEGCSA-N 290.338 4.585 30 10 CJEE C[C@H]1CC([C@]2(C#N)CCc3ccccc3C2)C[C@H](C)C1 312436563 BCGSBRWRCWNZDR-SPYBWZPUSA-N 267.416 4.758 30 10 CJEE C=C(CC)CNCc1ccc2c(c1)c1ccccc1n2CC 313507881 VJMRIADLABHTKS-UHFFFAOYSA-N 292.426 4.870 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCC[C@H](C)C1 317193964 XQODRMJWEXXFCZ-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C#C[C@H](Nc1c(Cl)cccc1Cl)c1ccccc1 328427988 USGJTAJBGBLGQF-AWEZNQCLSA-N 276.166 4.780 30 10 CJEE CC(C)C(C(=O)[C@@H](C#N)c1ccc(F)cc1Cl)C(C)C 380390466 YHFRHMAPOJPMSE-ZDUSSCGKSA-N 295.785 4.584 30 10 CJEE CCCCCCC[C@H](N)c1ccccc1CSC 385469257 AENMWSLJYXTDQZ-INIZCTEOSA-N 265.466 4.910 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@@H](C2CCCCC2)CS1 386071344 CUHNCZAHYHSCSA-DZGCQCFKSA-N 282.497 4.597 30 10 CJEE N#C[C@@H](CSCc1ccc(Cl)cc1)C1CCCC1 397326717 IQOQARVEUNWIOS-AWEZNQCLSA-N 279.836 4.903 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@]1(C#N)CCCC(C)(C)C1=O 402249139 AYZFCBSRDJCFOU-RISCZKNCSA-N 289.341 4.644 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](CC)CC[C@H]1NCCC 403820817 ALAWCSGIANZBRQ-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE C[C@@H]1CC[C@@H](NCC2CCC(C#N)CC2)c2ccccc21 442875093 VNJRMCAFQIANED-GKSFYBEXSA-N 282.431 4.545 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CCC1CCCC1 466424227 CTYQEUJTOPMAQZ-RDJZCZTQSA-N 277.452 4.550 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]2C[C@@H]21 613901727 SGMIUEZXFGKUBD-JQHSSLGASA-N 297.442 4.913 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](CC)c1ccccc1)c1ccccc1 677510506 GEXIZEDJXZUYCV-QFBILLFUSA-N 293.410 4.614 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1CCC(F)(F)CC1 686700657 CLQQHEQHOBUPRW-MRXNPFEDSA-N 285.422 4.764 30 10 CJEE CO[C@@H]1CCC[C@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688340376 BTDXWMBNMJMSIU-ZIAGYGMSSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H](CN)C(C)C 690480199 MWBVUOBZMQZVOC-INIZCTEOSA-N 269.473 4.707 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C1CCC(F)(F)CC1 690830284 MLZYTFUKYDRIEL-JTQLQIEISA-N 298.764 4.838 30 10 CJEE C[C@@H](CCS)CCN(C)C1CC(C)(C)CC(C)(C)C1 693054068 KPDBRRJPFNABJA-CQSZACIVSA-N 285.541 4.869 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@@H]1C1CC1 695874222 VLJBWZPPGPIFOD-HZPDHXFCSA-N 288.822 4.617 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C[C@@H](C)CC 698894558 ZDLMYFJLPIWGBZ-YOEHRIQHSA-N 294.439 4.518 30 10 CJEE CCCCCCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 703717098 KMMSXEJPVZLAEP-LSDHHAIUSA-N 275.436 4.809 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@H](C)c2ccccc21 704020741 AZOWPHHRBRGDNC-WMLDXEAASA-N 257.421 4.817 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C(F)(F)F)cn1 704023250 NSCPTEAWHONRGX-UHFFFAOYSA-N 272.314 4.505 30 10 CJEE Cc1ccc(S[C@H](C#N)[C@H]2CCCC[C@@H]2C)cc1 704931117 XKFDSUQQLGEDOS-CWRNSKLLSA-N 259.418 4.806 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1COC[C@@H]1C 705220783 ZHSNFGDRAPTLMH-KSZLIROESA-N 283.500 4.778 30 10 CJEE CN([C@@H]1CCCC(C)(C)C1)[C@H](CC#N)c1ccccc1 708584189 OKRKTZRJENSTIE-IAGOWNOFSA-N 270.420 4.542 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 709121428 DBBBGYSQSMAGKH-PWSUYJOCSA-N 298.213 4.852 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@H]1CNCC(C)C 710640145 FMQIJXGSYRYWTG-LSDHHAIUSA-N 271.876 4.817 30 10 CJEE CCCCCCCCCO[C@H]1CCC[C@@H](NCC)C1 712809203 ZVDYHOVTNZPNTO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NN 712955187 NPOWYBUFGDWJJC-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCC2)CS1)c1ccccc1 713203040 PWBFSKVCOIWQHM-AWEZNQCLSA-N 288.460 4.533 30 10 CJEE CCCCCCCCCCN[C@H]1COC[C@H]1CC(C)C 716331325 WWCAFBUODBKAMC-MSOLQXFVSA-N 283.500 4.778 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1C[C@H](C)CO1 718398242 RXYLCLKUONHXEW-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCOCC1C[C@@H]2CC[C@H](C1)N2 719292263 YSQKLZKYIWIVPL-AYHJJNSGSA-N 281.484 4.674 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2sc(C)cc2C)C1 719473240 OKMMNAPNMNQXFL-BMFZPTHFSA-N 277.433 4.509 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 723625410 KGQRYQVPGIVPFU-ZMSDIMECSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CC(C)(C)[C@@H]2CC[C@@H](C)C[C@@H]2O)CC1 724604344 OSYQINSBBJFCLG-OIISXLGYSA-N 264.453 4.946 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@H](C2CCCC2)CCS1 725090708 UDLOWSCYHQZPLX-HOTGVXAUSA-N 296.524 4.987 30 10 CJEE CC(C)c1ccc(N=C2C=C(O)C(=O)c3ccccc32)cc1 1081115532 XVXGPRUSINDHHT-UHFFFAOYSA-N 291.350 4.569 30 10 CJEE C=CCCC(=O)O[C@@H](C)c1ccc(OC(CC)CC)cc1 1128889429 ORFASTYAQJBRLU-AWEZNQCLSA-N 290.403 4.824 30 10 CJEE Cc1ccccc1SC[C@@H](C)COc1ccc(C#N)cc1 1164575385 HSFTWMUBQJWMSD-AWEZNQCLSA-N 297.423 4.674 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C 1196318461 ISWPMPGWGVBNQI-AWEZNQCLSA-N 292.810 4.611 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCOc2ccc(C(C)C)cc2)C1 1199571042 GDSUUJMHVODBEY-SJLPKXTDSA-N 287.447 4.523 30 10 CJEE C=CCCC[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1207341231 KTSPJWBDKHHUGH-KANFNMMFSA-N 269.432 4.862 30 10 CJEE C=CCN(Cc1nc(-c2ccccc2)cs1)C(C)(C)C 1231685167 IDPVMYJDTFQBJN-UHFFFAOYSA-N 286.444 4.597 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(CCC)s2)c1 1289568413 UCONWEPQALSUIG-UHFFFAOYSA-N 285.412 4.986 30 10 CJEE C=C[C@H](C(=O)N1CCCC[C@@H]1CC1CCC1)c1ccccc1 1301269375 PFEDIKPETJUXGR-MOPGFXCFSA-N 297.442 4.528 30 10 CJEE C#CCCCC(=O)N[C@H](c1ccc(CCCC)cc1)C(C)C 1348959361 UKGVFMHTWGRJRC-FQEVSTJZSA-N 299.458 4.646 30 10 CJEE C=C[C@H](CC(=O)N(C)C1CCC(CC)CC1)c1ccccc1 1353362018 YARRPQOYLOAROK-TVRKMHQQSA-N 299.458 4.774 30 10 CJEE C=CCN(CCc1ccccc1)C(=O)C1(C)CCCCCC1 1358486413 QWBCRNSRVXQVDA-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)(C)CC)cc1 1436142728 ZHRHHJGAEJXCJI-SFHVURJKSA-N 273.420 4.915 30 10 CJEE C=C(CC)C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 1442807389 AQYCDVXOPKGUGU-OAHLLOKOSA-N 295.382 4.622 30 10 CJEE C=CCCC1(CNC(=O)CCC[Si](C)(C)C)CCCC1 1453362117 XIJKODLIILVYCH-UHFFFAOYSA-N 295.543 4.748 30 10 CJEE C=C(CC)CN1CCC(Oc2ccc(C(C)C)cc2)CC1 1459310949 SDJDWECOHHOFSF-UHFFFAOYSA-N 287.447 4.619 30 10 CJEE C#CC[C@H](NCC1CCC(C)(C)CC1)c1ccccc1 1459848970 KELMJJCRHHEZQK-SFHVURJKSA-N 269.432 4.557 30 10 CJEE C=CCC1(NCCc2ccc(Cl)cc2)CCCCC1 1460629657 IAFWYUCESBRMTR-UHFFFAOYSA-N 277.839 4.751 30 10 CJEE C=C[C@@H](C(=O)N[C@H]1CCCCC12CCCC2)c1ccccc1 1468529715 BUNOTGVXZNMUIZ-MSOLQXFVSA-N 297.442 4.575 30 10 CJEE C=CC[C@H](C)Sc1nnc(-c2ccc3ccccc3c2)o1 1472977904 RPQRPPFNBJELNJ-LBPRGKRZSA-N 296.395 4.947 30 10 CJEE C=CCN(Cc1ccc(C)cc1C)Cc1ccccc1F 1473118599 NIKBSKNPTARLMK-UHFFFAOYSA-N 283.390 4.631 30 10 CJEE C=CCCCN1CCC[C@]1(C)Cc1ccc(Cl)s1 1473847019 UCDTZQBGOGSTRW-OAHLLOKOSA-N 283.868 4.765 30 10 CJEE C=CCC[C@H](C)Nc1cccc(Oc2ccccc2)n1 1474747549 GXPYAOQNCVLEON-AWEZNQCLSA-N 268.360 4.641 30 10 CJEE C#C[C@H](NC(=O)[C@@](C)(CCC)CCCCCC)C(C)C 1521049898 FEVQETUAXOPNMF-WMZOPIPTSA-N 279.468 4.537 30 10 CJEE C=CCC1(C(=O)Oc2ccc(OCCC)cc2)CCCC1 1521404806 DNRQWFSKQYMBQE-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=CCC1(C(=O)N2CCCc3cc(C)ccc32)CCCCC1 1523225596 FLBXDDLIATVATE-UHFFFAOYSA-N 297.442 4.801 30 10 CJEE C=C(C)CCC(=O)N1Cc2ccccc2-c2ccccc21 1530290482 BSRKFARKWIDABA-UHFFFAOYSA-N 277.367 4.557 30 10 CJEE C=CC1(CC(=O)Nc2cccc3oc(C)nc23)CCCCC1 1544690829 CSDYSCLGPMAPNP-UHFFFAOYSA-N 298.386 4.601 30 10 CJEE C=C(C)c1cccc(NC(=O)c2scnc2C(C)C)c1 1585977991 RWUBOHKECDTPPM-UHFFFAOYSA-N 286.400 4.552 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(SC(C)C)cc1 1616608099 SRIWTDFHQFJVPG-UONOGXRCSA-N 263.450 4.802 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1CCC[C@H](CC)C1 1621139943 ZYAZJPNGYXAPJP-PKOBYXMFSA-N 271.448 4.891 30 10 CJEE C=C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 1624267302 SSFQSKHKVHSIFK-OKZBNKHCSA-N 299.458 4.677 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 1625197193 PEWRFDUJNRSVEG-NXHRZFHOSA-N 285.431 4.636 30 10 CJEE C#CCCCCCCN(C)[C@H](C)c1ccc(C)cc1 1641521999 LZILYBZIVZJRNE-QGZVFWFLSA-N 257.421 4.572 30 10 CJEE C=CCN(Cc1cc(F)ccc1F)CC1CCCCC1 1641764816 LFNJJMRGVIPRQU-UHFFFAOYSA-N 279.374 4.533 30 10 CJEE C=CCCC(C)(C)NC[C@@H](C)CC1CCCCC1 1651364069 UDOPYBMKVQOBQL-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](CC)c2ccc(F)cc2)C1 1657519784 DFPYZPNXTQTPGM-XOKHGSTOSA-N 261.384 4.611 30 10 CJEE C#CC[C@H](NC[C@H]1CCC[C@H](CC)C1)c1ccccc1 1657594616 XAACCQOMEGQAHZ-LNLFQRSKSA-N 269.432 4.557 30 10 CJEE C=CCN(Cc1ccccc1)CC(C)(C)Oc1ccccc1 1658324640 NWYPKGNWMNACPG-UHFFFAOYSA-N 295.426 4.532 30 10 CJEE C=CC(C)(C)CCNCc1cccc(OC(C)(C)C)c1 1658342521 GXRAGLPZQVGDMP-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE C=CCCCN1CCC(C)(c2cccc(Cl)c2)CC1 1658419970 PNMHCCIGQBGNMG-UHFFFAOYSA-N 277.839 4.660 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CC2CCC1CC2 1665072367 OHMJIDMTFMSOCB-BFWZDYSYSA-N 263.469 4.927 30 10 CJEE CC(C)c1ccc(/C=C/C(=O)ON=C2CCCCC2)cc1 1860464542 HSDBKTUHXRXPER-JLHYYAGUSA-N 285.387 4.687 30 10 CJEE C=CCCC[C@@H](NCC)C1CC(c2ccccc2)C1 1875767636 JZNAPFYTECCMKK-DAWZGUTISA-N 257.421 4.515 30 10 CJEE CC#CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 1879643774 JWZGJUSRYIIEQT-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE CC#CCCCCC[C@@H](NCC)c1ccc(C)cc1 1885236190 KOBFVPXBISWOSV-GOSISDBHSA-N 257.421 4.619 30 10 CJEE CC#CCCCC[C@H]1CCCCC[C@@H]1CNCCC 1885237155 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C=CC[C@H](C)[C@@H](NCCC)c1sc(Cl)cc1OC 2321142159 TVZLYLTZGDKLNL-GXFFZTMASA-N 287.856 4.663 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(F)cc1SC 2328542499 YQIAIKLFIGYCSX-CQSZACIVSA-N 267.413 4.555 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1CC2(F)F 2329136150 HXZYYPCHWYDFFX-AJNGGQMLSA-N 273.411 4.759 30 10 CJEE Cc1ccc(CON=C(c2ccc(C)c(C)c2)C2CC2)cc1 2330296713 KMZYQECZUQWTNV-UHFFFAOYSA-N 293.410 4.943 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2334334688 PFWZMKYVGWVZCI-HPFXQQBRSA-N 262.437 4.988 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1CCO[C@@H]1C 2335073824 UKZBOWXVBMHESA-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]1COC 2335075240 VSYXWDINEVWEEX-YESZJQIVSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCC[C@@H]2O 2335096176 KLPYIKPGONGKAW-KRWDZBQOSA-N 274.429 4.669 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1ccc2sccc2c1 2337166080 OOJAGCOEDAGFGF-HOCLYGCPSA-N 271.429 4.736 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1scc(C)c1C 2338392636 ISOLRYKSMNZFBW-OAHLLOKOSA-N 289.469 4.519 30 10 CJEE C=CCC(CC=C)N(C)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2338662647 OHCRJHSAEWMJBH-FVQHAEBGSA-N 261.453 4.655 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(OC)c(Cl)s1 2340264749 XTAJXZPRUXPPSF-LLVKDONJSA-N 299.867 4.500 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC[C@@H]1CC[C@H]1C1CC1 2342389455 XEOUAAZLRZLANO-XYJFISCASA-N 262.437 4.988 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CC[C@H]1C1CC1 2342539553 DNPNGKBTFPKOHG-MHORFTMASA-N 261.453 4.537 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cccc(C(C)C)c1 2343619091 UMDXERSWJJVRMH-KRWDZBQOSA-N 257.421 4.510 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cc(C)cc(C)c1 2344335706 BTGKBUWGBOQIIW-QGZVFWFLSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cc(F)ccc1F 2344335884 DLEAKSGREACNOZ-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCCC 2344337061 NUCZYERIJBFGGQ-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@@H]1C1CCC1)NCC 2344341441 BSYONNBZYCSTGJ-MHORFTMASA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@]12CCCC[C@H]1CC2)NCCC 2344382180 FGZKYNKXOCWZGF-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC 2344385597 QJJOYHCDARYDFH-IGKNDFSCSA-N 263.469 4.783 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(Sc1cccc(F)c1)C2 2345006824 RTBYOHJLYGBLNJ-UHFFFAOYSA-N 275.392 4.780 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CC(C)(C)CCC1(C)C 2352002897 GNLRNVBDLQYFGI-INIZCTEOSA-N 284.465 4.746 30 10 CJEE CC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@](C)(CS)C(C)(C)C 2352320451 XSWDSXUVRBKFOO-JYYAWHABSA-N 283.525 4.622 30 10 CJEE C=C1CC(C(=O)O)([C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353218118 PQGUJJGXROBYBD-SNVBAGLBSA-N 299.197 4.826 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1CC[C@@H]2C[C@@H]2C1 2354826943 KRNQOXJNESKIAI-BBWFWOEESA-N 297.552 4.871 30 10 CJEE N#Cc1ccc(NC[C@H]2C[C@@H]3CCCCCC[C@@H]32)cc1 2354885640 KNDHPFQMPPMQTP-JZXOWHBKSA-N 268.404 4.577 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H]1[C@@H]2CCO[C@@H]21 2355579752 RWJWNAIHKRRGIH-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1cccc(C(F)(F)F)c1 19921615 CIVLQVIUQNOIES-NSHDSACASA-N 290.288 4.750 30 10 CJEE CC(C)c1ccc([C@@H](C#N)NCc2ccc(Cl)cc2)cc1 20174482 GAIBBZVPJOABHS-GOSISDBHSA-N 298.817 4.818 30 10 CJEE CN(C1CCCCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 36328576 MYKXMFWMSPYCDT-LZLYRXPVSA-N 290.495 4.996 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Nc2ccc(F)cc2)cc1 37935869 JVTYMASLWXWJCC-QGZVFWFLSA-N 268.335 4.626 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1ccc(Cl)c(Cl)c1 37970128 ODTIGVDDWCTALF-HNNXBMFYSA-N 297.229 4.870 30 10 CJEE CC[C@@H](N[C@H](CC#N)c1ccccc1)C1CCCCC1 55019243 IDTQQCKRZIZAEG-QZTJIDSGSA-N 270.420 4.590 30 10 CJEE N#Cc1cnc2ccc(Cl)cc2c1Nc1ccccc1 64438666 RAMITPHRPHBNBA-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 69234507 JWZXVDGOBHEYKA-NSHDSACASA-N 284.325 4.814 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCCC[C@@H]2C)C1 70409581 WYRVWCAXRQUAKO-BSDSXHPESA-N 290.495 4.996 30 10 CJEE CCCn1nc(C#N)cc1-c1ccc(C2CCCCC2)cc1 76850156 WTHBOQJFOMROLP-UHFFFAOYSA-N 293.414 4.879 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc(Cl)c(Cl)c1 80497316 MOQIHZXYMIQKBL-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C[C@@H]1CC(Nc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)C1 84464656 BBPLCDRHMSRSBL-QYJAPNMZSA-N 296.336 4.814 30 10 CJEE CC(C)(C)C1CC(C#N)(c2ccc(Br)cc2)C1 86559193 MCQRZBUZMKDLQZ-UHFFFAOYSA-N 292.220 4.667 30 10 CJEE CC1CCC(C#N)(CCCOc2ccccc2)CC1 87930580 AHTFKCNOBISQLI-UHFFFAOYSA-N 257.377 4.566 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(Cl)cc2)CC1 91880847 HOTJONSJKVWGSM-PWZRNIHTSA-N 291.822 4.874 30 10 CJEE CC1(C)CCCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 94276493 KTFAPYHPAZVCIP-CQSZACIVSA-N 296.336 4.958 30 10 CJEE SCCCCCN(Cc1ccccc1)Cc1ccccc1 94578934 WTTWBJVPGZGPQW-UHFFFAOYSA-N 299.483 4.789 30 10 CJEE CCC[C@H](CS)COc1ccc(OC)cc1C(C)(C)C 94583367 WZFSGGRIEDYEBZ-ZDUSSCGKSA-N 296.476 4.718 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCCc2sccc21 97283196 LNUPCKPZUZVQNG-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE N#CC1(Sc2ccc(F)cc2)CC2(CCCCC2)C1 97329211 DOTOOVGYVYELQL-UHFFFAOYSA-N 275.392 4.924 30 10 CJEE Cc1cc(C)c(Nc2cc(C)ccc2C#N)c(C)c1 104018820 LTFVIDKDJKWOKO-UHFFFAOYSA-N 250.345 4.536 30 10 CJEE CCCCCCCn1nc(C)c([C@@H](C)NCCC)c1C 108043191 YOTFKHDKPLTVOI-CQSZACIVSA-N 279.472 4.531 30 10 CJEE Cc1ccc2cccc(Nc3ccc(C#N)cc3Cl)c2n1 110258347 QSXAYTQRDIPVGA-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCCCC[C@@H](CN)Cc1ccccc1OC 110520706 IRAPPNNNIGBYOZ-QGZVFWFLSA-N 291.479 4.953 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(Br)cc1 111817266 IPKMXPRBZYTLSC-OAHLLOKOSA-N 299.252 4.713 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1Cc2ccccc21 114383583 XMELSDRJGGNJIV-MSOLQXFVSA-N 259.437 4.794 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](C)c1ccncc1 117683851 SQEHTNPVLPGSHL-RDJZCZTQSA-N 262.441 4.524 30 10 CJEE CCCCCCCC[C@@H](N)c1cncc(Br)c1 124475849 MLUXLHGQABBAMF-CQSZACIVSA-N 299.256 4.595 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C(F)(F)F)cc1 125634329 GUSWZHRYVIETJP-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=C(C)CC[C@H](CC12CC3CC(CC(C3)C1)C2)NC 125712173 SBLFIUUSHOKEPA-AWDGRILASA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@@H](CS[C@@H](C)CC)NN 126624851 RMTRMARYRZAFJS-HOTGVXAUSA-N 288.545 4.881 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](OC)C(C)C 127987120 BAXLVSJLSFIGKP-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1CC 135832818 PGKCEFIYBRJNOT-SOUVJXGZSA-N 289.554 4.692 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](OCC)C1CC1 158239528 LRPPZRJRYLBPSM-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC(=O)[C@@H](OC)c1ccccc1 161498259 JVHAXFCAIOMZDJ-KRWDZBQOSA-N 262.393 4.694 30 10 CJEE N#Cc1cc(Nc2cccc(Cl)c2)ccc1C(F)(F)F 164393055 YHYIHWNBHZMGKA-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCCCCn1c(CC)nc(Cl)cc1=O 164992109 QODVIMABQPIUJF-UHFFFAOYSA-N 298.858 4.600 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](OC)C1CCCCC1 167297948 XPAKMNQLULOFLU-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc2ccccc12 203461361 ZQUSAPZKWLRTHS-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2F)C1 228876509 MQILHYBWXAUNSV-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE 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CC1(C)CCC[C@]1(C=O)Cc1cc2ccccc2s1 2108714678 ZKFWWPNNIDPFAQ-QGZVFWFLSA-N 272.413 4.839 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CC23CCCC3)CC1 2109391464 LWZSSJNNEOHGMH-AQFXKWCLSA-N 262.437 4.988 30 10 CJEE CCC1CCC([C@@H](C)Nc2ccc(C#N)cc2)CC1 2112096322 UPGYXWPEUKTJRL-VQCLRJIVSA-N 256.393 4.575 30 10 CJEE Cc1cccc(N[C@@H](C#N)[C@H]2CCCC(C)(C)C2)c1 2112244166 LRGKFUUCWPJMCJ-HOCLYGCPSA-N 256.393 4.516 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@H](C)C1CCCCC1 2114333012 KAFKZQIGSIZONE-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE C#CCCCC[C@@H](C[C@H]1CCC12CCC2)NCCC 2116842737 OCARHNNLRFDZAB-SJORKVTESA-N 261.453 4.519 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 2116844744 JIUXRWFROFNNIW-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE Cc1cc(C[C@@]2(C#N)CCCCC2(C)C)cnc1Cl 2117010454 KFCWQJHNUADNAJ-MRXNPFEDSA-N 276.811 4.696 30 10 CJEE C#Cc1ccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 2120725576 GZZNYDPZUGZRAH-FHLIZLRMSA-N 255.405 4.541 30 10 CJEE N#Cc1cc(F)c(Nc2ccc(F)cc2Cl)cc1Cl 2120885223 VVEJDXWMYPKCRO-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C=C1CC(C[C@]2(CNC3CC3)CCCCC2(C)C)C1 2125742503 PWEOSRKMLODKEO-SFHVURJKSA-N 261.453 4.681 30 10 CJEE C#CCCCC[C@H](NCCC)C12CCCC1CCC2 2127328375 OHIBKLFNGFYOLQ-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE CC[C@](C=O)(Cc1ccc2ccccc2c1)C(C)C 2127924718 VHHOYVPJMUFTGV-GOSISDBHSA-N 254.373 4.634 30 10 CJEE CSc1ccccc1Nc1cc(Cl)c(F)cc1C#N 2127973655 HXGXVNLVLRKLNV-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C[C@@H](C[C@]1(C=O)CCCC(F)(F)C1)C1CCCCC1 2128432719 LUDDCEGHPIBJGW-DZGCQCFKSA-N 272.379 4.988 30 10 CJEE C#CCCCCC[C@]1(CNCC(C)C)CCC1(C)C 2131995157 JXLIOAAIXYNBRQ-GOSISDBHSA-N 263.469 4.622 30 10 CJEE C=CCCC(C)(C)CNc1cc(CC)ccc1C#N 2132310822 JAIOFUCWXYZDGP-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE C=CC1(CN[C@H]2C[C@@H](C)c3ccccc32)CCCC1 2132967314 SLTMSYMKRUMNRW-PBHICJAKSA-N 255.405 4.571 30 10 CJEE C=CC1(CNC[C@@H]2C[C@@H]3CCC[C@@H]3C2)CCCCC1 2132984216 YQLVULIEEKRECT-BJWYYQGGSA-N 261.453 4.539 30 10 CJEE CCCCC#CCN[C@H]1CCCCCCCC1(F)F 2138959454 SAHBPZDPANKZSR-HNNXBMFYSA-N 271.395 4.518 30 10 CJEE CCCC#CC[C@@H](O)[C@H]1CC[C@H](CCCCC)CC1 2138964210 SXICADJAMUZDJA-KZNAEPCWSA-N 264.453 4.928 30 10 CJEE CCCC#CC[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 2138982583 XSRFCFZTMBZJSZ-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)C 2138989404 DDALQTGQOAZQOA-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1C2(CCC2)C12CCC2 2139147812 FDIOUJRWOURHSP-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE CCCC(CS)(CCC)CN(C)CCC1(F)CCC1 2140582106 UUVTWRZIEOXQRG-UHFFFAOYSA-N 289.504 4.717 30 10 CJEE c1ccc(-c2ccc(C[C@@H]3CCC[C@@H]4O[C@H]34)s2)cc1 2141203006 GSQHENZILRUULP-JLJPHGGASA-N 270.397 4.525 30 10 CJEE C=CCCCCCC[C@](O)(CC)c1ccc(F)cc1 2141912799 BRFYSWKKRQHADN-QGZVFWFLSA-N 264.384 4.950 30 10 CJEE C=CCCCCCCC(=O)c1cc2c(s1)CCOC2 2141914101 OIRCCFDYAYEMEW-UHFFFAOYSA-N 278.417 4.530 30 10 CJEE C=CCCCCCCC(=O)c1snnc1C(C)(C)C 2141918010 ASMOAZHBIZOSIE-UHFFFAOYSA-N 280.437 4.545 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H]1[C@H](C)C1(F)F 2141920291 VAHHNBQYSAMRIL-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(C)c(OC)c1 2141923534 NSURZZXQLKMLGQ-INIZCTEOSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCCCN1CC[C@@H](C(F)(F)F)C1 2142391163 IGRNPEKAAISEHU-CQSZACIVSA-N 277.374 4.787 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@]1(C)CCCCO1 2142405028 SHAXKRKSECOEOK-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC[C@]1(N)C[C@@]1(C)C(F)(F)F 2142442408 VYBJAOIEBILEOC-KGLIPLIRSA-N 277.374 4.963 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1c(C)csc1C 2142459979 AQCMWPBNZODYLB-CQSZACIVSA-N 282.449 4.659 30 10 CJEE C#CCCCCC[C@H](NCCC)C(C)(C)CC(F)(F)F 2145277655 PKDLKLQDCPPXFQ-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CSc1cccc(NC2CC3(CCCCC3)C2)c1C#N 2145556225 NIIPKIMQDVDXDO-UHFFFAOYSA-N 286.444 4.805 30 10 CJEE CCCCCCC[C@@H](NC)[C@](C)(O)CC1CCCCC1 2148577156 CJRZXCHIRSQPNM-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H](O)[C@@H](C)CC 2148598267 CKPNBMXYJSQMJK-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE CC(C)C1CCC(C#N)(Cc2nc3c(s2)CCC3)CC1 2151239376 RFWIJEGGBQFLFF-UHFFFAOYSA-N 288.460 4.530 30 10 CJEE C=CCCC[C@@H](N)c1cccc(Oc2ccccc2)c1 2154646782 MBSVLSOOHWAPPE-GOSISDBHSA-N 267.372 4.835 30 10 CJEE CCCCCCCCO[C@H]1[C@H]2CCC[C@@H]2C[C@H]1NCC 2156208149 SHZKDEJZBCCCEO-XDNAFOTISA-N 281.484 4.530 30 10 CJEE C[C@H](N=C1N[C@@H]2CCCC[C@H]2CS1)C1(C)CCCCC1 2157540746 ISVCEGRRWYRMRD-SOUVJXGZSA-N 294.508 4.597 30 10 CJEE CC(C)C[C@H]1CSC(=N[C@H](C)C2CCC(C)(C)CC2)N1 2158437425 ALVBWXFCWCITTH-HIFRSBDPSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCNCc1ncc(C2CC2)o1 2160635628 LRGWYNZZSOQTSW-UHFFFAOYSA-N 278.440 4.782 30 10 CJEE C=CCC[C@H](C)Oc1cccc(C)c1CNC(C)(C)C 2160793341 KBFDUIXAYLEYCA-HNNXBMFYSA-N 275.436 4.617 30 10 CJEE CCCN[C@H](CCC(C)=C(C)C)c1cccc(C#N)c1 2164212986 SLYARIJPMBJNJU-GOSISDBHSA-N 270.420 4.735 30 10 CJEE CCCCCCCCCC[C@H](O)c1cn(CC)c(C)n1 2164486004 DDSPWCUZLUDXOS-KRWDZBQOSA-N 280.456 4.776 30 10 CJEE C#CC(C)(C)C[C@@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 2167603149 GRPHNXRCEHDUTB-KURKYZTESA-N 277.496 4.724 30 10 CJEE C[C@H](N=C1N[C@H](C2CCCCC2)CCS1)C1(C)CCC1 2172431802 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C#CC1(CN[C@H](CCCCC)c2ccccc2)CCC1 2182313619 WWQSWWCMVQJLOB-GOSISDBHSA-N 269.432 4.701 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncnc2ccsc12 2183773201 FSZUUTDCECHLQO-CYBMUJFWSA-N 291.464 4.832 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@@]12CCCC[C@@H]1CCC2 2184458281 OMDUPBLGXVUOJY-MLGOLLRUSA-N 292.785 4.876 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC3(CCC3)O2)CCCC(F)(F)C1 2184852363 MZSWKWQLWSNDCS-UONOGXRCSA-N 283.362 4.588 30 10 CJEE CSc1cccc(N2CCCCCCCCC2)c1C#N 2185680213 QVOOGGKHZNUXBL-UHFFFAOYSA-N 288.460 4.831 30 10 CJEE CCc1ccc(C#N)c(NC[C@@H]2CCC[C@@H]2C(C)C)c1 2188842544 VXSMTXAUBZYSKG-DLBZAZTESA-N 270.420 4.605 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCOCC1(C)C 2189769390 KQLCWNJRSOASQE-SJORKVTESA-N 284.484 4.941 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(O)C1CC=CC1 2190852651 HXQLKAXFGXEKAE-SFHVURJKSA-N 280.452 4.804 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H](N)C12CCC2 2192121871 IIUVIKAMABTETQ-WBVHZDCISA-N 279.468 4.604 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]2OCC[C@@H]2C1 2195667712 BQRKKSARJGURQT-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE C[C@@H]1OCC[C@@H]1CCC1(C=O)CC(C)(C)CC(C)(C)C1 2196314091 JOGWCICCFBUNGL-GJZGRUSLSA-N 280.452 4.613 30 10 CJEE CCCCCCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] 2196715145 SJGTVRNUXKWFHS-UHFFFAOYSA-N 298.814 4.650 30 10 CJEE CCCCCCCCN(C)c1ncc([C@@H](C)NCC)s1 2196733441 DEBOYZCKFNZOJL-CQSZACIVSA-N 297.512 4.610 30 10 CJEE CCCCN(C1CCCCC1)[C@@H]1C[C@H](C)CC[C@H]1C#N 2197168198 SWTYEFLTNIAJMV-SOLBZPMBSA-N 276.468 4.750 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2C[C@@H]2c2ccccc2)C1 2200335263 UHSXKRABVNCXJE-ZWKOTPCHSA-N 269.432 4.516 30 10 CJEE C[C@@H]1C[C@](C#N)(CC2CC(C)(C)CC(C)(C)C2)CCO1 2203201987 FGQYRIZBAGPQSO-KDOFPFPSSA-N 277.452 4.938 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cc(F)ccc1F 2203784792 HDVMYEDRIAQTLU-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE CCCCCC#CC[C@@H](NCCC)C1CC(C2CC2)C1 2203832091 HOKCQXWJBPSWJO-CTWPCTMYSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@H](NC)c1ccc(OC)c(F)c1 2206899678 ZPHHUAOBYHKTDH-INIZCTEOSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCCCNCc1cccc(OC)c1 2207397174 QULGSAGYCFCQGP-UHFFFAOYSA-N 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269.498 4.634 30 10 CJEE C=CCCCCCCC[C@@H](O)CC1CC(F)(F)C1 2220090553 CQEHRBCCODHADF-CQSZACIVSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCCCN(C)CC[C@H]1C[C@H]1C 2220950355 OGEQLRZTKNLSKQ-SJORKVTESA-N 251.458 4.881 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](SC)C1CC1 2221153916 RAKAHUWNMUBSHA-CVEARBPZSA-N 271.514 4.986 30 10 CJEE CCCCCCC[C@H](N)c1ccc(F)c(C)c1F 2223243761 XMDNZXYBJBGVHA-AWEZNQCLSA-N 255.352 4.634 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(F)c(Cl)c1)NCCC 2225121646 PAQXSQHFLYIQCO-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=CCCCCCCCCOc1ccc(F)cc1N 2225667621 QLHBFWIIQJPZPG-UHFFFAOYSA-N 265.372 4.703 30 10 CJEE CC1CC(C)(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)C1 2225674167 OELLHBJAPQMXJY-YAKODHLKSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCCCO[C@@H](C)[C@@H](C)CNCC 2225688039 KNUCRJCWLIYEBV-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE Cc1sc([C@H](O)CC#CC2CCCCC2)c(C)c1C 2228554515 KWALBXCWKYDQGD-MRXNPFEDSA-N 276.445 4.681 30 10 CJEE CCC(CC)(CS)COC1C2CC3CC(C2)CC1C3 2230438678 OAJQDQGDSXFHDO-UHFFFAOYSA-N 282.493 4.564 30 10 CJEE CC(C)(C)C#CCNCc1sc2ccccc2c1Cl 2230507563 KWGVBZAAQXFQPX-UHFFFAOYSA-N 291.847 4.694 30 10 CJEE C=C1CCC(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 2230671867 WDWCZSBBNPXKCQ-BRWVUGGUSA-N 261.453 4.681 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1ccc(C2CCC2)cc1 2231598295 ZWWPOUGCOVRICR-KDOFPFPSSA-N 256.389 4.502 30 10 CJEE CCCCCCCC[C@H](C)NCCOC(C)(C)CC 2231928378 GNHJWRCCAGDUGM-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@H](C)[C@H](C)CC 2231929514 MBGAUXYBYDPFLK-INMHGKMJSA-N 270.457 4.739 30 10 CJEE C=CCCCCC[C@H](CCc1cccc(F)c1)NCC 2232800576 CFERECXROXSFMA-GOSISDBHSA-N 277.427 4.873 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)Cc2ccc(F)c(Cl)c2)CC1 2233397841 BGUAXFAMHHHJPQ-CYBMUJFWSA-N 294.797 4.973 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233637182 TUROZASSBVLELX-FZKCQIBNSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCCNC[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2235513742 MKHLDCRGAGMNDW-XHSDSOJGSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@](C)(O)CCCC 2235522108 QERZVVTXZVHWPQ-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@H](O)C12CC(C)(C1)OC2(C)C 2235524826 ULMCKFOLRPFZFT-ZLPCBKJTSA-N 280.452 4.612 30 10 CJEE C=CCCCCCCCOc1ccc2c(c1)[C@H](O)CC2 2235535121 MNBNNLBZVPWJPA-GOSISDBHSA-N 274.404 4.572 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)C(C(C)C)C(C)C 2235542037 NXPQMTXNUXRPTC-SFHVURJKSA-N 282.468 4.761 30 10 CJEE C=CCCCCCCCOc1ccc([C@H](C)O)cc1C 2235543018 YLQSIGVBSCQHIQ-INIZCTEOSA-N 276.420 4.954 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@]2(O)CCC[C@H](C(C)(C)C)C2)C1 2238159600 YCYRJPQZWGJUOQ-MXSMSXNCSA-N 277.452 4.674 30 10 CJEE CCCC[C@@H](CC)[C@@H](C#Cc1cccc(Cl)c1)NCC 2239457108 RIGQSVMAFGACCN-SJLPKXTDSA-N 291.866 4.886 30 10 CJEE CCCCCCCCCCCO[C@@H]([C@@H](C)N)C(F)(F)F 2239485977 BFJIENXYAIHPHO-KGLIPLIRSA-N 297.405 4.812 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC[C@@H](NCCC)[C@@H]1CC 2239491931 GBJWXQXYKXHPRY-XMTFNYHQSA-N 281.484 4.695 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)[C@H](C)CC(C)C 2239559590 RTTKKCRPWQOFEC-QAPCUYQASA-N 291.866 4.742 30 10 CJEE C=C([C@@H](Cc1ccc(C(C)(C)C)cc1)NC)[Si](C)(C)C 2239900175 CJMNNWYRKISWGG-QGZVFWFLSA-N 289.539 4.548 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1cc2ccccc2s1 2240119430 UBTRGTGQUWQCOR-SFHVURJKSA-N 285.456 4.778 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc(C3CCC3)cc2)C1 2240251311 DRJASLWRIDIFLX-BEFAXECRSA-N 270.416 4.892 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cncn1C(C)C 2240638633 WIZHMRQXHXTINP-MRXNPFEDSA-N 279.472 4.693 30 10 CJEE C[C@H]1C[C@@H](OCCCCCCCS)CC[C@H]1C 2252622624 ILHBSUPUYBTKOW-ILXRZTDVSA-N 258.471 4.708 30 10 CJEE C=CCC1(Nc2ncc(C(C)(F)F)s2)CCCC1 2253530394 IPQQQQMTNAPUJE-UHFFFAOYSA-N 272.364 4.556 30 10 CJEE CC(C)(C)C#CC=CCc1c(F)ccc(F)c1Cl 2256695505 BGRYKUUUISNSGF-UHFFFAOYSA-N 268.734 4.766 30 10 CJEE CCCCCCC[C@]1(F)[C@H]2CCC[C@@H]1C[C@H](N)C2 2258022663 BJYYLOWSRABBPR-SYMSYNOKSA-N 255.421 4.593 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCCC[C@H]1O 2259007212 GJGJMWYONFCPBQ-JKSUJKDBSA-N 270.482 4.797 30 10 CJEE C=C(C)CCCCSc1ccc([C@H](C)NC)cc1 2259192139 BJOAVCWNKBVLLT-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C(F)(F)C1CC1 2259196873 QEDUYCVICXPHPA-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(C(F)F)c1 2259234457 CDCANVQJNKERSK-UHFFFAOYSA-N 252.304 4.943 30 10 CJEE C=C[C@@H](C)CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2260239586 AQTRWJQVLMHQSW-MRVPVSSYSA-N 289.162 4.526 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)cs1 2261009837 CCWMIGFLEYEIQM-CQSZACIVSA-N 281.852 4.636 30 10 CJEE SCCCCCCCOCCCc1ccccc1 2263167014 OODLKZCWZSOSMS-UHFFFAOYSA-N 266.450 4.516 30 10 CJEE CC(C)(C)N(CCCCCCCS)CC(F)(F)F 2263212646 XJOUKGZJJPGWEM-UHFFFAOYSA-N 285.419 4.530 30 10 CJEE C=C1CC([C@H](CC[C@@H]2CCC[C@@H](C)C2)NCCC)C1 2265046641 YVZICPSNVXOYMR-HFTRVMKXSA-N 263.469 4.927 30 10 CJEE CCc1cc(Oc2c(F)cccc2C#N)ccc1Cl 2265749043 LVVBOSGYVXGPOF-UHFFFAOYSA-N 275.710 4.705 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CC(F)(F)C12CCC2 2266081245 BCOYUWLQVGRPAD-ZIAGYGMSSA-N 273.411 4.890 30 10 CJEE CCCCCCCCCNN(C1CCC1)C1CCC1 2266450480 LDQZFYURNCTGFR-UHFFFAOYSA-N 266.473 4.649 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2csc(C3CC3)c2)c1 2267850066 UWNDMXRJBBTFRC-HNNXBMFYSA-N 268.385 4.611 30 10 CJEE CCC[C@@H]1CCC(=O)[C@@H](CC=CC#CC(C)(C)C)C1 2268752695 NQWRSDPFQIJUPK-CVEARBPZSA-N 260.421 4.768 30 10 CJEE C=C(C)CCCCn1cc(CO)c2ccc(Cl)cc21 2271777662 MYBTZJPRYIXOBH-UHFFFAOYSA-N 277.795 4.533 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1csc(CCC)n1 2271833825 VIROWFNEODWKMT-CQSZACIVSA-N 280.481 4.883 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccncc1C 2271837190 PROOWFKBINLGEH-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=C(C)CCCCN1CCCC[C@H]1c1nc(C)cs1 2271837946 ZTZXROTZHNWFLK-HNNXBMFYSA-N 278.465 4.725 30 10 CJEE C=CCC[C@@](C)(O)C(=O)CC[C@H](C)CCCC(C)C 2272303420 PIHFAOHWNXAZCE-NVXWUHKLSA-N 268.441 4.515 30 10 CJEE C=C[C@H](C)CCN[C@H](CCCC)c1ccc(F)cc1 2273232494 GYBRGNPGAJMABJ-WMLDXEAASA-N 263.400 4.859 30 10 CJEE Cc1ccc(CCC=CC#CC(C)(C)C)c(F)c1F 2273927517 AGXAGEHNHHLRKR-UHFFFAOYSA-N 262.343 4.812 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1sc(C)c(C)c1C 2274122269 QEBLHXYNUAENOZ-INIZCTEOSA-N 275.461 4.518 30 10 CJEE CC(C)(C)c1cccc(C[C@@]2(C=O)CCC2(C)C)c1 2274438497 NMSNSZDHYYQYOM-GOSISDBHSA-N 258.405 4.532 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCC)OCCC(=O)O 2275504690 SCURXXJNXGAHJD-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@@](CCC)(OCCN)C(C)(C)C 2276213328 MLEDBUSYGMXSSZ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=C([C@@](CC)(CCCCC)OCCCN)[Si](C)(C)C 2276529805 OLDLPMSIHIURDY-MRXNPFEDSA-N 285.548 4.515 30 10 CJEE C=CCCCCCCC[C@@H](CC(C)C)OCCCN 2276704354 HATZOKLHSCSLGG-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CC1(C[C@H](OCCCN)c2cscc2Cl)CCC1 2277345068 KVGCMUNVZKBZLE-AWEZNQCLSA-N 299.867 4.554 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CC)C(C)(C)O 2278239230 VENCXSJVDYOQME-HZPDHXFCSA-N 271.489 4.655 30 10 CJEE C=C[C@@](N)(CCC12CC3CC(CC(C3)C1)C2)C(C)(C)C 2279895926 QPWPCJVMHSAAAM-AWZATWRCSA-N 275.480 4.913 30 10 CJEE Cc1ccc(SCC(=O)CC=CC#CC(C)(C)C)cc1 2284075512 JNAWIIVUGXEQCR-UHFFFAOYSA-N 286.440 4.652 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1CC(SC)C1 2284153805 RAGPRAYHPAPORT-JCYILVPMSA-N 298.540 4.657 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@H]1CCCCC(F)(F)C1 2284179701 INAZAVJVFIWXPF-GJZGRUSLSA-N 283.406 4.525 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@@](C)(OC)CC[C@H]1N 2287192193 KZOCKPJGGHVNFV-ZACQAIPSSA-N 299.524 4.531 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1CCC[C@H]2CCCC[C@H]21 2287405765 HKPDZRPBAGJMKK-TVFCKZIOSA-N 278.484 4.561 30 10 CJEE C=C(C)CCCCO[C@H]1CC(C)(C)CC[C@H]1NCCC 2287413650 KQJPBGWCBHOSOX-SJORKVTESA-N 281.484 4.696 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C2CC3(CC(F)C3)C2)CC1 2287832110 RMNLPHQKILTWRB-GGDJBSTQSA-N 278.411 4.856 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@]12CCC[C@H]1CC2 2288977789 PFVXPMYQSVZDMS-FHWLQOOXSA-N 275.480 4.909 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]12CCC[C@H]1CC2 2289002652 JJIAXENPNMUPEJ-OKZBNKHCSA-N 280.500 4.929 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CC(C)(C)C(F)(F)F 2289784091 HBPYZJZKFLTZGE-CQSZACIVSA-N 289.385 4.527 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CCC[C@@H]1C 2289900606 FOQMQEUEOUCDFZ-PKOBYXMFSA-N 275.480 4.622 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCC[C@H]1CCC 2291768114 PQABZCRZQHKWKV-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC1(OCC(=O)O)CCCCC1 2292584301 HHNFKVRZVUYGOQ-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)C1(C)CCCC1 2292727713 OLTIAUMZQJFQRA-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)C1CC1)OCCN 2292912431 NAARRSNNRIPEMX-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@](C)(OCCCN)C1CCC(CCC)CC1 2293416135 KTMNWMOMVTXGLI-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@H]2CCCC[C@@H]21 2293699664 KCPNHLHCRGLULO-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@@H]1C[C@@H]2C[C@@H]2C1 2294337544 UEFFUHRKCCSOKG-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCCN)CCC[C@H](CCC)CC1 2294537969 HTPRETYDUWSDPC-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H]1C[C@@]12CCOC2 2295588972 IMMQNLIQKXLISS-OKZBNKHCSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](NC)CCN1C(C)C 2295679810 SYAJMCNSDGJNBE-ZWKOTPCHSA-N 282.516 4.588 30 10 CJEE CCCCCCSC[C@@](C#N)(CC1(C)CC1)NCCC 2295767461 YAEAWWBUBYAGBT-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 2296515190 GNFQHKPKOVRLRH-UHFFFAOYSA-N 260.720 4.511 30 10 CJEE C=CCCCCCCCCS[C@@H](CO)CCC 2307393144 YRXVALSOHUTOPM-OAHLLOKOSA-N 258.471 4.797 30 10 CJEE C=CC1(CNc2ccc(C)c(Br)c2F)CCC1 2307572423 VBVQNWOHJGNWRA-UHFFFAOYSA-N 298.199 4.665 30 10 CJEE CCC(=NOCc1ccccc1F)c1ccc(C)cc1C 2318633155 HTVZJILBCOQSKS-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1CCC[C@H]1C)NCC 2321141739 QCPFYLKRPDTLID-LTIDMASMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2321217002 LZSCCDWJYSJFSE-QEOTZNIISA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@](C)(SC1CCC1)C(=O)O 2327172857 GTWQMEHJHQDFOG-HNNXBMFYSA-N 272.454 4.866 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cccc(SC(C)C)c1 2327764483 FEDOWMGJEVYXBL-OAHLLOKOSA-N 264.434 4.823 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329822830 XKHRCPPKZZMTSC-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333706890 ZTFKCEIWSUTIOB-NFAWXSAZSA-N 270.363 4.764 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1 2337104207 NBWWGZVMLBKDMD-FZMZJTMJSA-N 269.310 4.862 30 10 CJEE CCCN[C@H](C#CC1CCC1)CCC1CCCCC1 2337427982 USIJMGGVLNJJBT-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1COCC1(C)C 2339033926 ABHKLZWJQSJCBJ-OAHLLOKOSA-N 268.441 4.759 30 10 CJEE C=CCCCCCCCOc1cc(C)c(N)cc1C 2339054646 UANVMUSPMNTFQX-UHFFFAOYSA-N 261.409 4.791 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@H]2C=C[C@H]1CCC2)NCCC 2341927378 WBLYPTFALWCNFW-BRSBDYLESA-N 261.453 4.703 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@](C)(CC)CNC(C)C 2343158939 QRIIQZWWBADTOD-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)c1cccc(C(C)C)c1 2343602134 XJZZFTKEAJDWAT-QGZVFWFLSA-N 257.421 4.510 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)NCC 2344342164 HTJYIZKJCDXQBV-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)C1CC2(CCC2)C1 2344380393 ZPKUVHJONLGINH-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCC 2344383233 HXTYFJXKNVYOTL-SMLCLMEVSA-N 263.469 4.639 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2357480121 BMPOJAUXDNIVJY-SPOLIRPYSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@@H](CC1[C@@H](C)[C@@H]1C)OCCN 2360126883 CPXLQVQBNNUNSF-ULQDDVLXSA-N 283.500 4.763 30 10 CJEE C=C(C)CN(C)c1ccc(C)c(Cl)c1CN[C@@H](C)CC 2360550172 YLWNVRQRFJDKDC-AWEZNQCLSA-N 294.870 4.549 30 10 CJEE CCCc1ccc(/N=C2\NC[C@@H](c3ccccc3)S2)cc1 35295428 CDBLOCJVTIDFIC-KRWDZBQOSA-N 296.439 4.704 30 10 CJEE CCCCCCC[C@@H](C)NC1CC(C)(C)NC(C)(C)C1 59090250 VTHQBNOEBNIROJ-OAHLLOKOSA-N 282.516 4.634 30 10 CJEE CCCCCCCO[C@H](C)[C@@H](N)c1ccc(CC)cc1 59199025 ACRRKUUKMDTCJF-CRAIPNDOSA-N 277.452 4.624 30 10 CJEE CC(C)COc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1 77083680 CZBLXAMRDOYHHO-UHFFFAOYSA-N 281.355 4.730 30 10 CJEE CC(C)CCn1cc(C(=O)CC#N)c2ccc(C(C)C)cc21 84875242 HBXQFFYJFJZXNW-UHFFFAOYSA-N 296.414 4.907 30 10 CJEE CC(C)(C)SCc1nc(-c2ccc(C#N)cc2)cs1 87120081 MAVBQWCNYPVPEG-UHFFFAOYSA-N 288.441 4.713 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 88301527 KPCILVAAMIVLCN-MNOVXSKESA-N 284.325 4.814 30 10 CJEE FC(F)(F)c1ccc(/N=C2\CCCCCN2)c(Cl)c1 93328328 IBCITENHZURIEA-UHFFFAOYSA-N 290.716 4.552 30 10 CJEE CCC(CC)(CS)CSc1nc2ccccc2o1 94589221 ODJGNDIFCGLPFN-UHFFFAOYSA-N 281.446 4.656 30 10 CJEE CCCCCCCC[C@H](NC)c1ccccc1F 103935513 ZHQYUSAWACMNQP-INIZCTEOSA-N 251.389 4.837 30 10 CJEE CCCCCCCCNCc1ccc(F)cc1C 106250775 ORODDMCTXCKBKO-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE CCCCCCCNc1sc(C)c(C)c1C(=O)OCC 106351563 ZPDKNLNSJKOWCB-UHFFFAOYSA-N 297.464 4.924 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)ccc1OCCC 107583391 CLHYMBHCRFOVSI-LBPRGKRZSA-N 250.769 4.646 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccccn1)NC 109724637 SXFHXYQCHVMMLZ-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCc1cc(C(C)(C)C)c2oc(C#N)c(CC)c2c1 110162218 FAQJZHJGQVNVEQ-UHFFFAOYSA-N 255.361 4.727 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(C2CC2)C1 110167613 ASSJBDIXWRRHKR-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCOCc1cc(CNC2CC2)oc1C 110171202 LCTBALIFCODOPB-UHFFFAOYSA-N 293.451 4.717 30 10 CJEE CCCCCCCC[C@H](CN)Cc1ccc(C)cc1 110180681 QQWYEPWIHDWBJX-SFHVURJKSA-N 261.453 4.863 30 10 CJEE C[C@H]1CCC[C@H](SCCCOc2ccc(C#N)cc2)C1 110354837 YXQQKJNUGZJROX-YOEHRIQHSA-N 289.444 4.639 30 10 CJEE CCCCCCC[C@@H](O)C12CC3CC(CC(C3)C1)C2 112887578 DPUVZMCJTADNRI-AWDGRILASA-N 264.453 4.924 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cc[nH]c1 115064748 DBYIYWACJYMOOT-INIZCTEOSA-N 251.414 4.969 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C(C)(C)C)cc1 122319405 IPWVVDGZQPFHFW-KRWDZBQOSA-N 276.468 4.849 30 10 CJEE CCCCCCCCCCN[C@H](C)c1c(C)nn(C)c1C 129238810 BROYQOMHVDJAPZ-OAHLLOKOSA-N 293.499 4.828 30 10 CJEE C[C@@H](NC1CCC2(CCCC2)CC1)c1ccc(C#N)cc1 129278391 VKYYFTGNHNMXEJ-OAHLLOKOSA-N 282.431 4.712 30 10 CJEE CCCCCCCC[C@H](NN)[C@]1(OCC)CCC[C@H](C)C1 131064412 WRTMGDRLHKYVJU-BZSNNMDCSA-N 298.515 4.554 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C)Oc1cccc(Cl)c1 135356720 TTXVNMDIVVLWIP-CJNGLKHVSA-N 284.827 4.829 30 10 CJEE CCCCCCCCCC[C@H](O)c1cccnc1OC 135558338 IHDSDSYUHJIVNM-INIZCTEOSA-N 279.424 4.654 30 10 CJEE CCCCCCCCOc1cc(F)cc(CNC2CC2)c1 157479357 GTIQMEUOAIBLLW-UHFFFAOYSA-N 293.426 4.817 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)CCSCC 159990761 PADZNLWZFIRHIR-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE C[C@@H]1CC[C@H](Nc2cccc(C#N)c2)c2ccccc21 163676825 YVISJWOTWBUHCV-ACJLOTCBSA-N 262.356 4.609 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2)c2ccccc21 163678657 PEWNFFHAVKUZMH-SCLBCKFNSA-N 262.356 4.609 30 10 CJEE CCCCCCCCC(=O)Cc1cc(F)ccc1F 164315516 HLXNPTJMSXQDOH-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 164938023 POOGOVOVCTYMMI-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](CCc1ccsc1)NC 165412331 RNZYXRZSZTYKGI-HNNXBMFYSA-N 253.455 4.629 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C)cc(Cl)c1 167774197 KNMJVWCLPZIJQZ-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CC#CCC[C@@H](NCCC)C1CCC(C(C)C)CC1 168158867 JVNGDDGDKJYXOA-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CCCc1ccc(Nc2ccc(C#N)cc2C)cc1 203444744 KAIFEZSGOANQPE-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CCCCCCCCCCCC(=O)OCN(CC)CC 207129250 FNOMAUWMEZRDDA-UHFFFAOYSA-N 285.472 4.750 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](C)CC2)C1 216819202 NMOYCQUYBLLMNM-XMTFNYHQSA-N 290.495 4.853 30 10 CJEE COc1cc(Cl)ccc1Oc1ccc(C#N)cc1Cl 220796973 FZCWAMOQCFKXLX-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE C[C@H](CCS)CCO[C@@H]1C[C@@H](C)CC(C)(C)C1 227282483 WKNVZFLHXFYISK-BFHYXJOUSA-N 258.471 4.564 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(C)nc1 228867771 FSPPPIYWDROTHU-KRWDZBQOSA-N 263.425 4.954 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CC[C@@H](C)O1 229148814 FILYFCFVKFZMDR-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CCCc2cccnc21 229781946 TZKCPXGZIPHTIP-DLBZAZTESA-N 274.452 4.579 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(C)c1Br 233615566 BPOBHEQWAMMKSG-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CCCCCCC[C@H](C)N(CC)[C@H]1CCCC[C@H]1CN 250826537 NXNDPEYGKXRDDP-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCC)[C@]1(C)CC 250827530 OKPKQKXPCUEPSM-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCC(=NN=C(CC)c1ccccc1)c1ccccc1 252460964 JMKGPKGBCMUXSU-UHFFFAOYSA-N 264.372 4.700 30 10 CJEE CC(C)c1cc(Br)cc(C2(CC#N)CC2)c1 260859459 JFHSETMKARMHDR-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)c3ccccc23)CC1 300545842 RDGVVQQFAXMHKB-CTYIDZIISA-N 264.372 4.702 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCC(F)(F)C1 302455049 XUVKOFHFLVMLNC-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CCCC(F)(F)C1 310412437 TWCHDGPKDKGEET-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@@H](CCC)CC1 311226364 RCHKTGLEJRBMKW-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)CCCCO1 315398555 GYIGDXAUBLWIEZ-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 317172129 IMGMHTMLLXSYKB-BEFAXECRSA-N 272.432 4.922 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(Cl)c(F)c2)CC1 317259585 PZPNDAVOCWMZQN-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C[C@H]1CCC[C@]1(CC#CC(C)(C)C)CNC(C)(C)C 318191455 ZFNIGLYAVRTSLR-YJBOKZPZSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@@H](OCC)C1(C)C 328409293 OPOINDCHDRBMMS-YESZJQIVSA-N 283.500 4.906 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1ccc(C(C)(C)C)cc1 387237223 UTOHJIVECKYXQN-KRWDZBQOSA-N 273.464 4.717 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1ccccc1Cl 394014059 DDJPQQGPJIOIIP-LBPRGKRZSA-N 277.795 4.589 30 10 CJEE CCCCCCCCCSC1=N[C@H]2CCCC[C@@H]2N1 395629705 OOBFIXYIBYZJKR-GJZGRUSLSA-N 282.497 4.741 30 10 CJEE CCCCCC(C)(C)CNC[C@H](C#N)C1CCCC1 397152470 ORWHWERYFSOFQM-INIZCTEOSA-N 264.457 4.512 30 10 CJEE Cc1[nH]c2ccc(C(C)(C)C)cc2c1C1(CC#N)CC1 527395754 AMRKVPJHBDXYFW-UHFFFAOYSA-N 266.388 4.719 30 10 CJEE CCCCCCCCCC(=O)[C@@]12CCC[C@H]1OCC2 687423011 QVBWGEWRRDIYAU-SJORKVTESA-N 266.425 4.655 30 10 CJEE CC1(C)CC(c2nc(CC#N)cs2)CC(C)(C)C1 688336704 GAPYORQKHCDWJG-UHFFFAOYSA-N 262.422 4.529 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@@]2(C)CC2(F)F)CC1 689317701 KFWBUZJUVFRFED-BLZCZZARSA-N 272.379 4.843 30 10 CJEE CC(C)C[C@H]1CSC(=Nc2cccc(C3CCC3)c2)N1 690141534 ZIEXYIAXZVDNIP-INIZCTEOSA-N 288.460 4.693 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](OC)C1CCC1 692672868 MPTVSSTVWRPAKO-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](CC)NC 695607478 FZZQZIAPSUJEAF-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@H](N)CC1(CSC)CC1 696023603 ORCQWQGBPMWWHH-HNNXBMFYSA-N 271.514 4.988 30 10 CJEE CC1(C)CCC[C@H](NCc2ccc(C#N)cc2Cl)CC1 697604353 OAMFDWLIMWISNP-HNNXBMFYSA-N 290.838 4.660 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/[C@H]2CCCC(C)(C)CC2)N1 697620448 FNBVBSZFOATJES-UONOGXRCSA-N 296.524 4.843 30 10 CJEE Cc1ccc(Cn2ccc3cccc(Cl)c32)cc1C#N 701869635 RPSKJIBZOUNAFE-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCCC[C@@]1(CNCC)CCOC1(C)C 703438669 VTURPFPBMPRQNM-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ncccc1Cl 703875605 SPFOAGURZGSTOP-CQSZACIVSA-N 283.843 4.779 30 10 CJEE C[C@@H]1CC[C@@H](C)N1CCCCCCCCCS 706429493 ICFJDEIDDSSHFV-HUUCEWRRSA-N 257.487 4.520 30 10 CJEE CCCCCCCCC[C@H](O)CCC(C)(F)F 713978454 CALGULGRZIELPA-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(C)c(Br)c(C)c1 715727261 XRVCKPRTBMCDBQ-BONVTDFDSA-N 296.252 4.539 30 10 CJEE C=CCCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716025853 IVRIXERXIJDAKH-UHFFFAOYSA-N 283.215 4.712 30 10 CJEE CCCCCCCCC[C@H](N)C1CC2(CSC2)C1 718477504 PJBMMAZXOCOWCF-HNNXBMFYSA-N 269.498 4.598 30 10 CJEE N#CC1(CC[C@H](O)c2ccccc2)CCCCCCC1 721307444 AKRCRZNXFKHMIK-KRWDZBQOSA-N 271.404 4.754 30 10 CJEE C=CCCCC(=O)Oc1ccccc1-c1ccccc1 749026282 MVWCHEBPSVOFGP-UHFFFAOYSA-N 266.340 4.615 30 10 CJEE C=CCCC[C@H](c1ccccc1)c1nc([C@H]2C[C@H]2C)no1 904822335 OCUUGPGLJWXKTE-BMFZPTHFSA-N 282.387 4.681 30 10 CJEE FC(F)(F)c1ccc(NN=Cc2ccc(Cl)cc2)cc1 1084205598 WHNJFEYCSVAYTR-UHFFFAOYSA-N 298.695 4.805 30 10 CJEE C=CCC1(CNC(=O)c2ccccc2C2(C)CC2)CCCC1 1128966286 QKKHAWCXOITUIT-UHFFFAOYSA-N 297.442 4.604 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1130935402 UZTOSFLTDVJVTI-SFHVURJKSA-N 279.468 4.652 30 10 CJEE C=CCC(F)(F)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1133930383 DJJSYQSICWBSBP-NSHDSACASA-N 293.357 4.621 30 10 CJEE CCCCCCCCCN1CCC[C@H]1c1ccc[nH]1 1167919898 FJTYTRPNJLCEJD-KRWDZBQOSA-N 262.441 4.902 30 10 CJEE C=C(CC)CN[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 1169125763 VMBXXXBMYAUPAR-OLZOCXBDSA-N 285.353 4.753 30 10 CJEE C=CCCCCC[C@H](C)NCCc1ccc2[nH]ccc2c1 1181154646 RRKLXCUOOZMGHY-INIZCTEOSA-N 284.447 4.825 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(F)(F)F)co1 1196058267 YROBLFYTDQWNMA-FZMZJTMJSA-N 287.325 4.523 30 10 CJEE C=CCC[C@H](NC(=O)C=C1CCC(C)CC1)c1ccccc1 1266421335 MKLIAQDRHAHNHR-CVMIBEPCSA-N 297.442 4.947 30 10 CJEE C=CCCCCCSc1c(OC)cccc1OC 1307330735 ZULBXXHDGQLONB-UHFFFAOYSA-N 266.406 4.542 30 10 CJEE C=C(CC)CSc1nc(C(C)C)nc2ccccc12 1307337133 SVAQIKQQKRYFDE-UHFFFAOYSA-N 272.417 4.812 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 1311299692 VXACIZSUVWUVQP-ROUUACIJSA-N 298.430 4.810 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 1353067888 VWMGRGOKTHJGDT-UHFFFAOYSA-N 299.414 4.693 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](F)c1ccccc1)c1ccccc1 1357220056 PGCHGVBREPMFFI-QZTJIDSGSA-N 297.373 4.521 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)c(F)c2)CCCCC1 1358093422 PVXYDTQARXIFNC-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=C1CCC(C(=O)O[C@H](C)c2ccccc2SC)CC1 1436245050 XBYDAFRSOROQAG-CYBMUJFWSA-N 290.428 4.759 30 10 CJEE C=CCOc1cccc(CNc2ccc(F)c(CC)c2)c1 1461492657 MMOCUSRDWOXYFS-UHFFFAOYSA-N 285.362 4.565 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)C(CC)CC)CCCC1 1461534168 XKPHQEDTEIYWTM-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=CCCC(C)(C)CNC(=O)C1(CC(C)C)CCCC1 1462039254 XRSQFZXXQULBGC-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CCCCCCN(C)CCCSC(C)(C)C 1473178830 NDTHQNFHQJFIKI-UHFFFAOYSA-N 257.487 4.586 30 10 CJEE C#CCC1(NCc2ccc(-c3cccc(F)c3)s2)CCC1 1474277005 UEEXFPGEWAUZLH-UHFFFAOYSA-N 299.414 4.590 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC(CC)(CC)c2ccccc21 1519576357 GQTYYNYEJAHXGZ-HNNXBMFYSA-N 285.431 4.693 30 10 CJEE C=CC[C@H]1N(C(=O)CCc2cccc(C)c2)CCCC1(C)C 1519869739 ATRCMUFCVIVNJB-GOSISDBHSA-N 299.458 4.521 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCC(C)(C)C)CCCCC1 1522229304 PSIYWMQYQYXEJU-OAHLLOKOSA-N 279.468 4.844 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(SC(F)F)cc1 1529683768 IRXYBSNVLBDPQQ-UHFFFAOYSA-N 285.359 4.542 30 10 CJEE C=CCN(C(=O)c1ccc(C2CCCC2)cc1)C(C)(C)C 1532427497 JIDGYRRFJOFZPX-UHFFFAOYSA-N 285.431 4.771 30 10 CJEE C=CCN(C(=O)[C@H](CCCC)C(C)C)c1ccccc1 1532545548 TZNLGYSIGLEXIF-QGZVFWFLSA-N 273.420 4.668 30 10 CJEE C=CCCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 1536552964 PVSNGTYWLOIKLM-GOSISDBHSA-N 285.431 4.781 30 10 CJEE C=C1CCC(C(=O)N(CC2CC2)c2ccc(CC)cc2)CC1 1543801245 RCZKJGSACMBOCI-UHFFFAOYSA-N 297.442 4.738 30 10 CJEE C=CCCCNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 1560461471 KLCVVUFUSGWAOQ-MRXNPFEDSA-N 273.464 4.719 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCCCC[C@H]1C)c1ccccc1 1585434778 IEKJBUUOJJBYBH-IEBWSBKVSA-N 299.458 4.918 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 1586657314 CTBGDHMQBMCPJM-UHFFFAOYSA-N 299.801 4.559 30 10 CJEE C=CC1(CC(=O)N(C)Cc2c(C)cccc2C)CCCCC1 1611444518 LOAGLBVKHYXCOX-UHFFFAOYSA-N 299.458 4.788 30 10 CJEE C=CC[C@@H]1CCCN(c2ncnc3ccc(C(C)C)cc23)C1 1612589402 YSGMPQOIZOHGBE-OAHLLOKOSA-N 295.430 4.546 30 10 CJEE C#Cc1ccc(CN(C)Cc2csc3ccccc23)cc1 1621184917 ITGAWHIZHXTDNU-UHFFFAOYSA-N 291.419 4.515 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1627011253 MTBZKMZORDUBFQ-QGZVFWFLSA-N 285.431 4.518 30 10 CJEE CCCCCCCCN1CCOc2ccccc2[C@H]1C 1642148667 XCALNILVYPRQCH-MRXNPFEDSA-N 275.436 4.803 30 10 CJEE C=CC[C@@H](C)Sc1nccn1-c1ccc(Cl)cc1 1643464449 JPJMDIDNSIYMNV-LLVKDONJSA-N 278.808 4.582 30 10 CJEE C=CC[C@@H](C)Sc1nnc(CCC2CCCCC2)o1 1651804941 UXYOCNPNNDDGCM-GFCCVEGCSA-N 280.437 4.639 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)CCSc1ccccc1 1654304167 PHKMSSHJTQYYFC-YESZJQIVSA-N 287.472 4.740 30 10 CJEE C=CCC[C@H](NCc1sccc1C)c1ccccc1 1656959456 SGZOOQBTLULJQB-INIZCTEOSA-N 271.429 4.854 30 10 CJEE C#C[C@H](N[C@@H](CCC)Cc1ccccc1)c1ccc(F)cc1 1658185959 IKIXZTCVMUATBY-PMACEKPBSA-N 295.401 4.501 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(Cl)nc1C 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262.368 4.688 30 10 CJEE C#CCCN(CC[C@H]1CCCCC12CC2)C1CCCC1 2279738907 GZHKUXXOULRBHB-QGZVFWFLSA-N 273.464 4.615 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@]2(C#N)CCCC(C)(C)C2=O)C1 2279806613 ITIOCGXXGBDMJG-VKJFTORMSA-N 275.436 4.882 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC2CC3(CCCC3)C2)C1=O 2279956851 IDDLZJCSXYXXMP-SFHVURJKSA-N 273.420 4.636 30 10 CJEE CCCN[C@@H]1C[C@@H](C)C[C@H](CC=CC#CC(C)(C)C)C1 2284070346 FGPOPBJNZNVYKF-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(CO)CCCC(C)(C)CC1 2284073663 SHCXWJGBTMUPQI-LJQANCHMSA-N 276.464 4.951 30 10 CJEE N#C[C@]1(CCCCCCCCCCO)C[C@H]2CC[C@H]1C2 2286811463 VQYUKILKQBCDHW-BZSNNMDCSA-N 277.452 4.820 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)CCCCCC 2287393417 YXUBMIKHZQTPGC-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCC[C@H](NC)C12CC3CC(CC(C3)C1)C2 2287409774 YXALLGPOEGDOAQ-NNGLDNROSA-N 275.480 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(F)c(OC)c1 2287412314 BZITUUSQIDUULX-INIZCTEOSA-N 279.399 4.621 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@H](C)C1(C)CCCCC1 2287676842 OXMHRRKSHRAIFM-AEFFLSMTSA-N 281.484 4.673 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1CC2(CC(C)C2)C1 2287735625 OMMBIWWBGMVYKW-YKPIGIGISA-N 275.480 4.765 30 10 CJEE CC[C@H](C)[C@H]1CSC(=NCC[C@@H](C)CCCC(C)C)N1 2287886009 QZLPYZLWTDPZIO-HRCADAONSA-N 298.540 4.946 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1CC(C)(C)CCO1 2288001620 XQSCPKCGIMICND-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](OCCC(=O)O)C1CC1 2290587404 VKLYMEHXWQHBEQ-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C1(C)CC=CC1 2291558433 HXNHADIHTRKCKL-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=C1CCC(C[C@H](OCCN)C(CC)(CC)CC)CC1 2292910290 WIZSJMITTMSCMT-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=CCCCCC(CC(C)C)(CC(C)C)OCCCN 2293269420 RHVLWUHQMRLEKF-UHFFFAOYSA-N 283.500 4.929 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1cscc1C 2293854001 DIDBCXHMCPGINR-QGZVFWFLSA-N 295.492 4.990 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@@H]1CCCC[C@H]1CC 2293916639 UTOSGHXUNRJGOH-MLHJIOFPSA-N 281.484 4.539 30 10 CJEE C=CCCCCC[C@@](C)(CCCC(F)(F)F)OCCN 2294033540 SWIFUQSWDPKPGT-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@H]1CCC[C@@H](C)C1 2294048490 RFLZQRYANDTHNG-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CCC12CCC2 2294567582 HSOIAMJGUUUCOQ-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@H]1CC(C)C 2294592567 UYBYJFDNJWYRQH-ROUUACIJSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CC(C)C)NCC 2295677807 DXPWEYCPCPXRHE-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1C[C@@H]2CC[C@H]1C2 2312896618 RYYYQIDZPMKKBL-LTIDMASMSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)[C@@](C)(CCC)CNC(C)(C)C 2316747030 NDIILJBTIALQQE-KRWDZBQOSA-N 251.458 4.949 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NC 2319551545 SXNWVBVZKJWGMO-BBWFWOEESA-N 251.458 4.761 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CC[C@H]1C(C)(C)C 2320156091 KBVMLHOKMODUBD-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]1(C)C[C@H]1C)NCCC 2321101195 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CCC[C@@H](OC[C@@H](CS)C1CCC1)c1ccccc1 2340466698 MGWMCDMFVKPLJW-DLBZAZTESA-N 278.461 4.891 30 10 CJEE CCCCCCCC[C@@H](N)c1cccnc1C(C)C 2342158893 RBRZSGBEWAIXBB-MRXNPFEDSA-N 262.441 4.955 30 10 CJEE C=C1CC(C[C@H](C[C@@H]2CC[C@@H]2C2CC2)NCCC)C1 2342333208 MGZMKPFAUIWVAU-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C)cc1SC 2342354996 XYFIHDNRMWGPKN-OAHLLOKOSA-N 280.481 4.582 30 10 CJEE O=CC1(OCCC2CCCCCCC2)CCCCC1 2342409455 XLVAVYGOAYAQIC-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@]1(C)CCCC1(F)F)NCC 2344337034 NPJTXCIIXQEIJT-HIFRSBDPSA-N 273.411 4.782 30 10 CJEE C=CCSc1ccccc1NC1CC(CCSC)C1 2344596357 VVHUIFAABSJOSU-UHFFFAOYSA-N 293.501 4.908 30 10 CJEE C=CC[C@@H](C)S[C@@]1(C(=O)O)CCCC12CCCCC2 2352016624 IDEFJJHYORWAPK-CZUORRHYSA-N 282.449 4.642 30 10 CJEE C=CCC[C@](C)(N)c1ccc(CCCCCC)cc1 2353116850 CMKCKSMSNOLPMX-SFHVURJKSA-N 259.437 4.950 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C#N)c(SC)c2)C1 2353823644 DETRNJWVPDUTIJ-TZMCWYRMSA-N 275.417 4.628 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCCCC12CCC2 2353841760 SDIDBBARUHEFIB-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2355085289 QSEPSACFZKZACQ-FQLMCAECSA-N 284.390 4.843 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NN 2355641069 GRVVIOMDPAFKKS-BRSBDYLESA-N 280.500 4.785 30 10 CJEE C[C@@](C#N)(C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 2357827555 DYAVKWJWVYJNBG-WDSOQIARSA-N 261.368 4.662 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](CC)NCC)nc1 2360368080 KXKNNIOAYPZMGY-INIZCTEOSA-N 290.476 4.755 30 10 CJEE N#Cc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 14549588 UKEDGDGINXCQRS-NUJGCVRESA-N 290.341 4.524 30 10 CJEE N#C[C@@H](C(=O)c1cc2ccccc2o1)c1cccc(Cl)c1 36930592 IWIZBQXVZPQYDM-CQSZACIVSA-N 295.725 4.576 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc(F)cc1Cl 37203045 CPYJINYORCLYLE-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Oc1ccccc1F 37334074 YBKZXZIGERRRKE-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1ccccc1C(F)(F)F 37937075 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30 10 CJEE C#CCCC[C@H](NCCC)c1cc2cc(F)ccc2s1 97389963 XRYWMXSTKARKAZ-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE CCCCCCCCN[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101761174 KOYZQCLAHXSWMK-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C#N 104149918 KPTLWZVXVXRSFZ-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE Cc1cccc(C2CC(Nc3cc(C#N)ccc3C)C2)c1 109945278 OEXROSYCVMJRNW-UHFFFAOYSA-N 276.383 4.533 30 10 CJEE CCCCCCCOC[C@@H](NC)c1ccc(C)cc1C 110081455 GOQLGYDBIOEIJQ-GOSISDBHSA-N 277.452 4.551 30 10 CJEE CCCCCCCCO[C@H]1CCCCCC[C@@H]1NC 110084077 NOKVLUCTWPUAMT-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE Cc1cccc(CSCCCOc2ccccc2C#N)c1 110354981 CYVSKJYGQBDTSE-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCCCCOc1ccc(CO)cc1Cl 110369640 GMHOYNCTOTVQJI-UHFFFAOYSA-N 284.827 4.962 30 10 CJEE CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1Nc1ccc(C#N)cc1Cl 112952631 BFOYVYYNDWLXFN-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)CNCC 116658963 XTJFSFSHUNMOHR-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)CCO 116756180 ZNJBQCCQGRUBBU-KRWDZBQOSA-N 271.489 4.515 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](OCC)C(C)C 122871951 LORSIQJISKJXPX-HZPDHXFCSA-N 258.446 4.549 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 122949378 CZAGBVIKAZERQI-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCCCCCCCC[C@]1(O)CCCc2occc21 124181860 APCRXRHPHUZQKY-KRWDZBQOSA-N 264.409 4.944 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(Cl)c(C)c1 125750026 YWEOEGFEEMPLJE-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](CCC)OCC 126196926 STLANUAXDARYAZ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCNCc1cc(OC)ccc1O 129300664 GIICITDTBXUUCX-UHFFFAOYSA-N 293.451 4.631 30 10 CJEE C#Cc1cccc(NCC2CCC(C(C)(C)C)CC2)c1 129773770 RTGJNISHVWNRQZ-UHFFFAOYSA-N 269.432 4.932 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](OCC)C1CC1 130518958 KIHPJHVFNAVFCU-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCc1ccccc1Nc1cccc(SC)c1C#N 136613581 UZIKQJIIGSQLSP-UHFFFAOYSA-N 268.385 4.586 30 10 CJEE CCCCCCCNCCc1ccc(Br)cc1 140750722 LBYZFYWWKDJJAY-UHFFFAOYSA-N 298.268 4.552 30 10 CJEE Cc1ccc([C@@](C)(O)C2(C#N)CCCCCCC2)cc1C 156794141 JUAOWAQAQBSKFJ-GOSISDBHSA-N 285.431 4.765 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)CCO[C@@H]1C 160152566 NKDBVAAZNPRBAZ-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccccc1)c1cc(C)ccc1C 162640589 SOEQYOZPBXBSBO-PXNSSMCTSA-N 279.427 4.947 30 10 CJEE C=CCC[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 164175577 RGQMKNHIDMURKW-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE C=C(C)CCC[C@@H](CNCC(C)C)c1ccccc1 164928222 BVQUOCVLPRHEIV-SFHVURJKSA-N 259.437 4.762 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1 189909265 YTFPSIDLVCFUPZ-UHFFFAOYSA-N 297.373 4.930 30 10 CJEE CC/C(=C/C(=O)c1ccc(OC)cc1)Nc1cccc(C)c1 198130058 WTXOHUBJAZHPAD-SSZFMOIBSA-N 295.382 4.592 30 10 CJEE Cc1cc(C#N)ccc1Sc1ccccc1Cl 203509124 HJSHOGCBOCFKFJ-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCCCC(=O)[C@H](OCC)C1CC1 227420736 CWRXQTMFNLUFOW-MRXNPFEDSA-N 254.414 4.511 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)ccc1OCCC 228824460 SOJFQJXPNJIYRA-LBPRGKRZSA-N 267.800 4.895 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](N)c2cc(OC)ccc2O1 229119386 HUOQNIOVDIEDLH-SJLPKXTDSA-N 291.435 4.597 30 10 CJEE C#C[C@H](CC)NCCCCCCCCCCCC 229964012 RUZRNOASCOVULI-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCC[C@@H](N)c1ccoc1Br 232955931 ASELNFMRWSGTHP-GFCCVEGCSA-N 288.229 4.793 30 10 CJEE Cc1ccc(C)c(CC(=O)C2=CCCCCCC2)c1 235870629 JQYBQQUWIUZMOL-UHFFFAOYSA-N 256.389 4.696 30 10 CJEE Cc1cccc(N[C@@H]2CCSc3ccccc32)c1C#N 236009741 XSGWDBSPFBQCBL-MRXNPFEDSA-N 280.396 4.516 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2c(c1)CCC2 236394224 VBZALJIYOACZCL-UHFFFAOYSA-N 254.373 4.639 30 10 CJEE C=CCCCCC[C@@H]1CCCc2ccccc2[C@H]1O 236547708 KNJFIZRBAHMXJH-AEFFLSMTSA-N 258.405 4.809 30 10 CJEE Cc1ccc(C)c(N=Cc2cc3cc(C)ccc3nc2O)c1 254492354 LJELRQYBINMICV-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE CCOc1ccc(C=Nc2cccc3ccccc23)cc1 254853702 HOTXQDXSRGVHKB-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE CC(C)[C@H](C#N)Cc1ccc(Oc2ccccc2)cc1 259246613 HYMUDNDYZDVLTD-INIZCTEOSA-N 265.356 4.817 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C[C@H](NCCCCC(C)(C)C#N)[C@H]1CC2CCC1CC2 382249545 WZLKLKDGGBUXAO-ZGRYLRDCSA-N 276.468 4.511 30 10 CJEE Clc1ccc(Br)cc1C#Cc1cccs1 383417252 LXGXCXNVWJFBBQ-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE C=C(COC(C)C)C(=O)C1CCC(CCCC)CC1 387564637 ZBIBTWUPARKODH-UHFFFAOYSA-N 266.425 4.533 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(CC(C)C)cc1 393793456 GQJLNGCSYYTQTB-CRAIPNDOSA-N 259.437 4.890 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@H](C#N)C1CCCC1 397121846 IPMCGSWNWOCZNU-SFHVURJKSA-N 278.484 4.711 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@H](C#N)C1CCCC1 397466490 SMWIBGDGFYEFFX-APWZRJJASA-N 284.447 4.617 30 10 CJEE N#Cc1ccc(COc2ccc(Cl)cc2Cl)cc1F 404064726 JHQITUPPQZEIJI-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CC(C)(C#N)CN(C1CCCCC1)C1CCCCC1 405101059 DDLJFHKEQOMMGJ-UHFFFAOYSA-N 262.441 4.504 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CCC[C@H](OC)C1 686314279 PJWCYVBSXMVIMB-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE C#CCCCCCNc1ccc(SC(F)(F)F)cc1 686675233 LJVDKAWOPOUGJT-UHFFFAOYSA-N 287.350 4.904 30 10 CJEE 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CC(C)(C)C#CC(=O)c1ccc(-c2ccccc2F)s1 2233870637 LQCBSKCNKJHBIY-UHFFFAOYSA-N 286.371 4.786 30 10 CJEE C=CCCCCCCCCOCCCCNC1CCC1 2234058491 RRWOLGWNJHSJND-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCO[C@@H]1C[C@@](C)(CC)CC[C@@H]1NCCC 2234060904 OEAGUOYQQONPCB-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1nn(C)cc1Cl 2235525374 ZLEYIDYDBADWRJ-OAHLLOKOSA-N 297.874 4.641 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@](C)(O)CCCCC 2235535290 NRVDYOCNGPBSOY-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE Cc1cc(C#N)cc(C)c1OCC1(C)CC2(CCC2)C1 2236607914 WLDSHHGCDULHAL-UHFFFAOYSA-N 269.388 4.524 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C1C[C@H]2CSC[C@H](C1)C2 2236720321 PMCJQLZMFYYCAI-CVYDXHPNSA-N 295.536 4.736 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)CCC1CCCC1 2239458283 ZDEMWYRTEJBUMM-GOSISDBHSA-N 289.850 4.640 30 10 CJEE CCCCCCCCCCCCOCc1c[nH]c(=N)s1 2239492764 MQRGJFVTMAENTD-UHFFFAOYSA-N 298.496 4.993 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@H](CO)CC1 2240640907 VOZQBOMDGMQNPV-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE C=C([C@@H](O)c1cc(Cl)c(Cl)cc1C)[Si](C)(C)C 2249728932 BYPRXFPGZPGHPK-CYBMUJFWSA-N 289.278 4.769 30 10 CJEE C=CCCSc1cc(CN[C@@H](C)CC)sc1C 2250020991 IQYQCRYEOCXTBS-NSHDSACASA-N 269.479 4.613 30 10 CJEE C=C(C)CCCC[C@@H](CO)c1ccc(Br)cc1 2250158791 LOFCUZYEMAOXPU-AWEZNQCLSA-N 297.236 4.662 30 10 CJEE C=CCCCS[C@@H]1CC(C)(C)CC[C@H]1NCCC 2258976941 WIBRIHYCORAHAA-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE C=CCCCSc1c(Cl)cccc1CNC1CC1 2259044174 HQNZANQRBIVNTO-UHFFFAOYSA-N 281.852 4.650 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2261166705 CJBMAGIKVPOWGD-CQSZACIVSA-N 283.198 4.611 30 10 CJEE CCC1(CC)CCN(CCCCCCCS)CC1 2263207253 XBOUYDLUZMBFJT-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE C=CCCC[C@@H](CC1(C)CC(F)(F)C1)NCCC 2263701145 YLEBRTZFHHIWBS-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CC(F)(F)C12CCC2 2266152584 MZJGETSQXQFRTQ-UONOGXRCSA-N 271.395 4.536 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1CCCCCC1 2268750647 NTKTWQCDMQWNJF-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=C(C)CCCCN(C)[C@@H]1CCCc2nc(C)sc21 2271759737 XHCQDKFPWHAHDE-OAHLLOKOSA-N 278.465 4.507 30 10 CJEE C=C(C)CCCC[C@@H](N)C1CCC(C(F)(F)F)CC1 2271765889 UPRJJXBYLKLDKQ-JXQTWKCFSA-N 277.374 4.819 30 10 CJEE C=C(C)CCCC[C@]1(C#N)CCCc2ccccc21 2271768890 YHTLKBAMTUQHGM-GOSISDBHSA-N 253.389 4.921 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(C)ccn1 2271783964 AABTXKKYJWFVKB-INIZCTEOSA-N 260.425 4.567 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H](CC)c1ccccc1 2271786105 UCROQOVCSRGEIK-ROUUACIJSA-N 259.437 4.905 30 10 CJEE C=C(C)CCCC[C@@]1(O)CC[C@@H](C)c2ccccc21 2271789845 XZVNHRITVZGGQX-CRAIPNDOSA-N 258.405 4.908 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(C(F)(F)F)c1 2271836650 JESHYHMHBLRGQG-CQSZACIVSA-N 271.326 4.842 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1coc2ccccc12 2271837920 ZEPWVGJDJKTOML-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)CCCCCCCC 2271839033 MPEDMCVELWYXRC-INIZCTEOSA-N 268.441 4.804 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1csc(C)c1C 2274121115 LCQDIZSLISZDMO-QGZVFWFLSA-N 275.461 4.599 30 10 CJEE O[C@@H]1CCCCCCCC[C@H]1CC#CC1CCCC1 2274171823 RXEKNFDWBYJEME-ZWKOTPCHSA-N 262.437 4.682 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(N)CC#CC2CCCC2)C1 2274181102 NDCXKKSMKPZDDS-SJLPKXTDSA-N 261.453 4.504 30 10 CJEE CCCC#CC[C@@H](NCC)C1CC(CC(C)(C)C)C1 2274233557 FSIBNBOFTQFUQU-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@@H](C)[C@@H]1C 2276652939 FLYCYCOOAFETNV-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C#Cc1ccccc1CNc1cc(C)c(Cl)cc1Cl 2277496893 DXEOCLXKPXHZME-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE CC1(C)CCC[C@]2(CCN2CCCCCCCS)C1 2277509669 QTOVJUWQVSOFBS-KRWDZBQOSA-N 283.525 4.911 30 10 CJEE CCCCCCC[C@](C)(O)C#Cc1ccccc1Cl 2277867905 NVHZNNSMIOATHN-KRWDZBQOSA-N 278.823 4.803 30 10 CJEE C=CCOCCCN[C@H](C)CCCCCCCCC 2278248127 ZFIMSKXVMCCVEB-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1nc(C)ccc1F 2279602456 OUEYGKXWURZBAL-MRXNPFEDSA-N 278.415 4.706 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCCC12CC2)NN 2279614968 SBFDMWKYEABAAX-DLBZAZTESA-N 280.500 4.929 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1ccccc1C 2284086558 SIJJWSBQUFFOFZ-GOSISDBHSA-N 269.432 4.641 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cccc(F)c1Cl 2284089040 JZXLCRUDZLUMPA-HNNXBMFYSA-N 293.813 4.735 30 10 CJEE CCCN[C@@H]1[C@@H](C)CCC[C@@H]1CC=CC#CC(C)(C)C 2284115778 NMAWCXNWRXLHCK-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CCC[C@H]2CCCC[C@H]21 2284181542 TXJULVFLWBDQJN-KZNAEPCWSA-N 273.464 4.541 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2COC3(CCC3)C2)CC1 2284763336 CJIOEGHRISHUCJ-CGZBRXJRSA-N 275.436 4.836 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](O)(CC)C[C@@H](C)CC 2287377747 IPAGIIPOFKXQAY-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@H](F)CC[C@@H]1O 2287399209 HGTPCFOGAGXEJT-IXDOHACOSA-N 288.447 4.785 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H]1CCCCC1(C)C 2289680890 IOGKTPYPMWWKRR-ROUUACIJSA-N 275.480 4.765 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2289789696 HCRGTSGJLDTZSK-INDMIFKZSA-N 273.464 4.504 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CCCCC1(C)C 2289884558 XNOIDMAJFKFCMO-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C1CC([C@@H](O)[C@@]2(C#N)CCCCC2(C)C)C1 2289939465 ODCRRIYBVRBIII-HNFMNYKYSA-N 277.452 4.530 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCC1CC(C)C1 2290386222 UIDLLZTVNZCWNK-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@H](CCC1(C)CC1)OCCC(=O)O 2291353171 XMQDXHQUYJDBND-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@](C)(CCC1CC1)OCCC(=O)O 2291455609 HINWNONNSZTSGM-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1CC=CCC1 2291574047 SOZVPJGPCHHUHC-CVEARBPZSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCC(=O)O)C1(C)CCC1 2291764012 XWQSHDDUJWJUPT-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CCCC1(C)C 2292723854 YYBDDGWKDUQLGE-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@](C)(Cc1ccsc1)OCCCN 2292785719 WYACUESFHMMDJC-QGZVFWFLSA-N 295.492 4.551 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C=CCCC1)OCCN 2293360426 GSVSXGYJAFBVPA-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@@]2(C)C[C@H]21 2293465338 CAOLRHZIVVKHHU-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C1(CC)CC1 2293581899 SVVKGDZGBJMRHD-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC1(OCCN)CCC(F)(F)CC1 2294574609 MOJCNGWPFPIZBQ-UHFFFAOYSA-N 291.426 4.660 30 10 CJEE CCCCC#CC[C@@H](NCC)c1nc2ccccc2s1 2295379937 DYZDZJDTERFVPT-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1ccc2oc3ccccc3c2c1 2295799687 OXXBDBAYVAHSOM-BLLLJJGKSA-N 266.340 4.832 30 10 CJEE CCCCCCCC[C@H](C)N=c1[nH][nH]c2ccccc12 2296370745 WHIPNQZJOQCIIM-AWEZNQCLSA-N 273.424 4.536 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc(C)cc(Br)c1 2301058150 QFOZDPHRKOSTBU-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE CCN(CC)[C@@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301286702 HJRBUXHSODDILD-JTQLQIEISA-N 291.609 4.553 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1C(F)F 2308734200 UYULIZOLGAWNMZ-HZSPNIEDSA-N 261.400 4.616 30 10 CJEE C#CCCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2318361470 YUHVRJMRODSCJX-CYBMUJFWSA-N 288.193 4.587 30 10 CJEE O=C(C1=CCCCCCC1)c1ncc(C(F)F)s1 2320482330 BWJHHNOWIXQULR-UHFFFAOYSA-N 271.332 4.544 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H]1CC[C@H]1C(C)(C)C 2321105397 PAFJQDVPSJOXGD-IVSAIRAKSA-N 251.458 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H](C)C1CCCCC1 2321223306 FVQCYOZKZFIJMU-PVAVHDDUSA-N 252.442 4.946 30 10 CJEE CC(C)C[C@@H](CS)COCCCCCC(F)(F)F 2328527766 LPIZSXKAGCDAMB-GFCCVEGCSA-N 286.403 4.718 30 10 CJEE CCCCCCCCN(C)C[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2332409403 XOIRODVTUXDCNG-KKUMJFAQSA-N 273.411 4.570 30 10 CJEE C=CCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1C[C@H]2F 2333365429 LKSLFRFGQWJOIG-MWDXBVQZSA-N 268.416 4.792 30 10 CJEE C=CCC(CC=C)S[C@H](CC)[C@@H](N)c1ccccc1 2335096994 SQBXMHUZEHRLMR-SJORKVTESA-N 275.461 4.719 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2337066864 BXMQURPDIFEOLW-QXDIGNSFSA-N 263.469 4.782 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1CCC(C2CCC2)CC1 2337075165 YONWNGGSGDZALC-FPQWYMTMSA-N 261.453 4.680 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)s1 2337079885 ZBOJAEBVDBRNIM-CMPLNLGQSA-N 289.366 4.601 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(C2CCC2)CC1 2338730079 NFAKMDOAUDAZLE-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)N(C)C[C@H]1C[C@H]1C1CCCCC1 2338730864 VCJQXNVDVOMJSP-AEFFLSMTSA-N 261.453 4.655 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccccc1C1CC1 2338733111 PBAMUHIPEXXUGY-GOSISDBHSA-N 255.405 4.593 30 10 CJEE CC(F)(F)CC[C@@H](O)CCCCC(F)(F)C(F)(F)F 2342298886 ZQAAAGMAHULAPD-QMMMGPOBSA-N 298.242 4.541 30 10 CJEE CC1=C(C)C[C@@H](C[C@](C)(C=O)c2ccccc2)CC1 2343443860 HPVFXHMGMYJXQX-FUHWJXTLSA-N 256.389 4.670 30 10 CJEE CC(C)(C)C#CCC(=O)c1cccc(C2CCC2)c1 2343779921 WEYBYSLYOGCHQJ-UHFFFAOYSA-N 254.373 4.576 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(F)c(F)c1C 2344341506 CDCGFAIXPAJRPK-CVEARBPZSA-N 267.363 4.526 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(C)cc(C)cc1F 2344346745 VNCLPLRSSVGCPH-SUMWQHHRSA-N 263.400 4.695 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC2CCC1CC2)NC 2344368407 DEZSWELFLZENDE-CNFALQKSSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)cc(C)c1 2344380559 RQQFHTJSBPTULR-QZTJIDSGSA-N 259.437 4.946 30 10 CJEE C=CC[C@@H](C)[C@H](CC=CC#CC(C)(C)C)NCCC 2344386881 ZSSLRWPIHQOPLI-SJORKVTESA-N 261.453 4.563 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCC[C@@H]1CC2)NCCC 2344395301 IQXNXXYIOYYEKY-SOLBZPMBSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCC(C)(C)C1)NN 2344891859 ODXZMMFJMYHRNY-JKSUJKDBSA-N 268.489 4.785 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCC[C@H]1CCC 2352214728 MPXVUCAJCSJPFB-CJNGLKHVSA-N 282.449 4.664 30 10 CJEE CSc1cc(N[C@H](C)[C@H](C)CC(C)C)ccc1C#N 2353821583 BQFQYNHKVHJNDV-CHWSQXEVSA-N 276.449 4.763 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@]12C[C@@H](OC)[C@@H]1C2 2354286296 OSDABKSRIALEJE-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 2358138093 HFKZABXMFUVQFD-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@]1(C)CC[C@@H](C)C1(C)C 2358540879 HVIPHUDEENEXNF-JTDSTZFVSA-N 277.496 4.867 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1F 36862250 JQGIHDZIGFUYBK-MZMPZRCHSA-N 289.394 4.675 30 10 CJEE CCc1cc(Oc2ccc(C#N)cc2)ccc1Cl 37023840 JRCYHYXTKWGCQW-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2cnc3ccccc32)C1 37147486 HUHFUASCMVHHKI-CKEIUWERSA-N 281.403 4.563 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NC1CCCCCC1 37390352 FHJSXLZNEVVXNC-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE C=CCSc1ccccc1NCc1ccc(C)cc1 37496212 OKMOCVIOXNIPMR-UHFFFAOYSA-N 269.413 4.885 30 10 CJEE Cc1ccccc1CS[C@H]1CCCCC[C@H]1C#N 54964081 HCEVSCUECWXOAD-HOCLYGCPSA-N 259.418 4.701 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C(=O)O)cc1C 59469309 FYGIDCQRNBPVPT-AWEZNQCLSA-N 277.408 4.854 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)[C@@H]1CCCCC[C@@H]1C#N 62014219 XILHBYUZGCVUPC-JJRVBVJISA-N 290.838 4.805 30 10 CJEE C=C(C)COc1cccc(CNCCC2=CCCCC2)c1 66115799 MBGHNKVNAWDBGY-UHFFFAOYSA-N 285.431 4.622 30 10 CJEE N#Cc1cc(-c2ccc3c(c2)CCCC3)oc1C1CC1 77082978 OOJGCXFENNSRRX-UHFFFAOYSA-N 263.340 4.574 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC1 86882421 NWIODJYOWZVCIY-YPMHNXCESA-N 296.336 4.958 30 10 CJEE CCC1CCC(C#N)(Cc2cccc([N+](=O)[O-])c2C)CC1 87933639 OYVRSBOMSIVDPZ-UHFFFAOYSA-N 286.375 4.556 30 10 CJEE C=C(Cl)CNc1ccc2cc(Br)ccc2c1 88121838 ZQMQHAIYFMDQDC-UHFFFAOYSA-N 296.595 4.767 30 10 CJEE Cc1cc(C)c(OC[C@@H](CS)C(C)(C)C)c(C)c1 94585551 YMGXSFADLKRCIJ-AWEZNQCLSA-N 266.450 4.583 30 10 CJEE CC[C@@H]1O[C@H]1CCc1c(Cl)ccc(Cl)c1Cl 107503755 XWOIURQWVTXRCO-QWRGUYRKSA-N 279.594 4.757 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(OC)c(OC)c1 107983772 VKGIYIWWTNNTJO-UHFFFAOYSA-N 292.419 4.566 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C 110028928 XFYHICYJAXXMJE-YXJHDRRASA-N 270.420 4.762 30 10 CJEE CCCCCCCO[C@@]1(CNC2CC2)CCC[C@@H](C)C1 110067927 NTUCHYQZPCLGMZ-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H]2C2CCCC2)C1 110265206 WKMIQQIFWKXHAJ-QXCFHYIPSA-N 288.479 4.750 30 10 CJEE CCCCCCCCCCOc1ccc(CO)cc1OC 110369415 GENQXXQMIHPVGC-UHFFFAOYSA-N 294.435 4.707 30 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CCO[C@H]1C[C@H](C2(C#N)CCC(C)(C)CC2)C1(C)C 381236666 QWOIFSVNCZHWBE-KBPBESRZSA-N 263.425 4.548 30 10 CJEE N#C[C@]1(C[C@H]2CCCC2(F)F)CCCc2ccccc21 382022070 AVHYHCDXJXZRMC-GDBMZVCRSA-N 275.342 4.610 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1csc(C)n1 384414029 XFVGABSLRFZETJ-HNNXBMFYSA-N 297.512 4.877 30 10 CJEE CCCN([C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N)C(C)(C)C 386915411 HZKIYFZZXAFJEF-BZUAXINKSA-N 278.484 4.851 30 10 CJEE CCCC[C@H](CC)C/N=C1/N[C@H](CC(C)(C)C)CS1 393462272 GTYHHZLRIIWKFY-UONOGXRCSA-N 284.513 4.700 30 10 CJEE CCCCCCCCCC[C@]1(F)CCCN[C@H]1C 396634223 GYSPRCBDDKQNFC-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE COc1cccc(SC[C@H](C#N)C2CCCCC2)c1 397081266 BEOPWSSLNDUUTH-AWEZNQCLSA-N 275.417 4.507 30 10 CJEE CCCCCCCCCCC[C@H](O)C[C@H]1CCOC1 400637861 OXZPIBGLFVREJM-SJORKVTESA-N 270.457 4.695 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CSC(C)C 530401555 KUVXDARPNKAEFY-UHFFFAOYSA-N 291.460 4.619 30 10 CJEE C=CCCc1ccccc1NC(=O)c1sccc1Cl 580908799 DYCWWBHKTWCMKH-UHFFFAOYSA-N 291.803 4.772 30 10 CJEE C#CCCCCCSCc1ccccc1Cl 686682275 LINOQQRDSZXTIX-UHFFFAOYSA-N 252.810 4.767 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCCSCC1 690326130 IGJVGFIZCQBIAN-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE C=CCC1(NCc2ccc(C3CC3)cc2)CCCC1 690772260 WKQRCIIHHZCCLZ-UHFFFAOYSA-N 255.405 4.543 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@@H]1CCCCC[C@@H]1C 691069662 RKYBGUUWGAIGRB-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCCNC[C@@]12CCC[C@H]1C2 693598772 JZNGAPWRPJLZFT-IRXDYDNUSA-N 251.458 4.907 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695094550 KNZUBSVVOWTWPY-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C[C@@H]1C[C@H](O[C@H](C)CC(C)(C)C#N)CC(C)(C)C1 695862667 FZYMYJZCXKQYSH-MCIONIFRSA-N 251.414 4.546 30 10 CJEE CCC(C)(C)CCOc1cc(C)c(C#N)c(C)c1C 696720784 ZSDXUHHLRPDUNG-UHFFFAOYSA-N 259.393 4.689 30 10 CJEE C=CCC1(Nc2nc3ccccc3s2)CCCC1 700790569 VAAIQBXEDRBIGM-UHFFFAOYSA-N 258.390 4.597 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CCOC1(C)C 703055662 DEIPMCRAXRTICF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(Cl)c(Cl)c1 710576264 WFNHTIKWCBUGBS-GFCCVEGCSA-N 278.610 4.787 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(SCC)cc1 710581392 DDPQCUTYIKVEQN-AWEZNQCLSA-N 269.841 4.592 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(Cl)c1C 710641219 MNOPVPSAYSDDJS-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE CC1(C)CCN([C@H]2CCCCC[C@@H]2C#N)CC(C)(C)C1 711058917 IFAXJHGNDBSNES-CVEARBPZSA-N 276.468 4.607 30 10 CJEE C=C(Cl)CC(=O)c1ccc(Cl)cc1C(F)(F)F 712591696 UYUJKELYZWKNEE-UHFFFAOYSA-N 283.076 4.684 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1C[C@H]1C1CC1 712952830 GNMUWXMHJRHULX-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE C[C@@H]1[C@@H](/N=C2/NC3(CCCCCC3)CS2)CCC[C@H]1C 713213653 HRIUOWUCRPIKFR-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCCCOC[C@H]1C[C@@H](N)C1 713812773 ZGZLZUJJQAGBGF-CALCHBBNSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCN(C)[C@@H](C)CNC(C)(C)C 714571397 BKYGJFHMUTVJDL-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC[C@H]1C 715789001 OEPVAFCWRWGWMT-UXLLHSPISA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](NCCC)C1CC2(CSC2)C1 718438340 NSPJDRKLMPDDJH-MRXNPFEDSA-N 283.525 4.858 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H](C)COCc2ccccc2)C1 719622008 JAGDBYDQGMQIJA-LMMKCTJWSA-N 285.431 4.949 30 10 CJEE C=C(CN[C@H](C1CCCCC1)C1CC1)c1ccccc1 723995843 RAGRMUOZTXLQTG-LJQANCHMSA-N 269.432 4.648 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](C)c2ccccc2)CC1 724576573 YXBYQTLFXHJQLZ-QFBILLFUSA-N 271.448 4.905 30 10 CJEE C=CCCCC(=O)Oc1ccc(OCc2ccccc2)cc1 1124372864 JCTQICQTDQQJPR-UHFFFAOYSA-N 296.366 4.527 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)Cc1ccccc1C(F)(F)F 1181266522 KPZUVQYEWYXTFS-TZMCWYRMSA-N 285.353 4.581 30 10 CJEE C=C1CCC(CN[C@@H](C)C[C@@H](C)CC(C)C)CC1 1183728198 PXMKSRNXIGJBPT-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C=CCC1(NC[C@@H](OC)c2ccc(Cl)cc2)CCCC1 1196149587 FFJPIVVIGROYMR-MRXNPFEDSA-N 293.838 4.506 30 10 CJEE CCCCCCCCCN[C@H]1CCOC12CCCCC2 1198397452 NUURQGNZABJFGV-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C=CCCC[C@@H](NCc1cnc(F)cc1C)c1ccccc1 1203496914 LHGBRVXVISUSOM-GOSISDBHSA-N 298.405 4.716 30 10 CJEE C=C[C@@H](CCCCC)Oc1c(F)cccc1C(C)=O 1227341626 QBOQLXQAJQXWEJ-ZDUSSCGKSA-N 264.340 4.542 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C)c1 1310934216 OSYNQHMAJPXHRU-GFCCVEGCSA-N 280.799 4.515 30 10 CJEE C=CCC1(C(=O)NCC(C)(C)c2ccc(C)cc2)CCCC1 1359796271 VXTBJXGCYXADJZ-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCCCCCN(C)C(=O)CC1(C=C)CCCCC1 1360624366 HFWPCFFIVQXZLB-UHFFFAOYSA-N 277.452 4.718 30 10 CJEE C=CCCCCNC(=O)CC1CCC(c2ccccc2)CC1 1436009080 CRLVEIFXNYPMOB-UHFFFAOYSA-N 299.458 4.823 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 1456801776 NEONGXANLYTFDL-VQIMIIECSA-N 299.458 4.897 30 10 CJEE C=CCOc1cccc(CNc2cccc(Cl)c2)c1 1461118324 DVLLCUXXMFVEOP-UHFFFAOYSA-N 273.763 4.517 30 10 CJEE C=CCCCCCCNC(=O)N[C@H](C)c1ccc(C)s1 1468281521 ZEJKZEVYHNKFIT-CQSZACIVSA-N 294.464 4.553 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCc1cccc(C)c1 1473638437 UTFYYVNUDHAOGE-RBUKOAKNSA-N 271.448 4.652 30 10 CJEE C=C(C)CN(CC)CC1CCC(C(C)(C)C)CC1 1474404784 UNVFAGVOCOSATK-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE C=CCCc1ccccc1NCCc1ccc(F)c(F)c1 1474469826 QPQTWCDLZGAHJY-UHFFFAOYSA-N 287.353 4.738 30 10 CJEE C=CC1(CC(=O)Nc2cccc3cc[nH]c23)CCCCC1 1523652377 OMMBHLYVYDCZCR-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1524063839 UBGSWVKWSCIIDK-INIZCTEOSA-N 293.838 4.756 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1OCCC 1527423295 DIAIXQDFDJHYTQ-INIZCTEOSA-N 295.810 4.670 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@H](C)CC(C)(C)C 1531441651 QKZJUMWPKFBKBL-AWEZNQCLSA-N 267.457 4.557 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 1536776924 DXJSCVBZKQOWST-WBVHZDCISA-N 279.468 4.844 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 1539566090 JXQKALXIRHZFBQ-ICSRJNTNSA-N 299.458 4.557 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C)c(C)cc2Cl)CC1 1544029218 UZLKHWQSLZGBOV-UHFFFAOYSA-N 277.795 4.642 30 10 CJEE C=CCCCNC[C@@H](C)Cc1ccc(C(C)(C)C)cc1 1560461469 KLCVVUFUSGWAOQ-INIZCTEOSA-N 273.464 4.719 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1CCC2(CCCCC2)O1 1560756055 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30 10 CJEE CCCCCCCC[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](N)C2 2258081453 HTSDSORGMJEWLQ-WNKDZCFJSA-N 251.458 4.891 30 10 CJEE C=C1CCC(Nc2nc(C)cc3sccc23)CC1 2258253177 QSOHTBYKOQJRHK-UHFFFAOYSA-N 258.390 4.515 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCCCS1 2259196127 DWYXPZSBXRZBKZ-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1CC(C)(C)C1 2259196567 LLFMIMIUKYKYLE-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](O)C1CCC(C(C)C)CC1 2259211630 UKXMSBHASJRURW-JCYILVPMSA-N 252.442 4.946 30 10 CJEE CCCCC1CC(N(C)CCCCCCCS)C1 2263206226 FGTBZNGMXKORFP-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=C([C@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)(C)C 2264916025 UESNMGSQAMSSFN-AVGNSLFASA-N 277.374 4.545 30 10 CJEE C=C[C@](N)(CC[C@@H]1CCC[C@@H](C)C1)c1ccccc1 2265055997 SMMUNHUWYAIYMZ-RYRKJORJSA-N 257.421 4.633 30 10 CJEE CCCCCCCCC(=O)c1nccc2occc12 2268921499 BQRVMFPIRFOVTP-UHFFFAOYSA-N 259.349 4.761 30 10 CJEE C=CCCCCCCCC=C1C[C@H]2CSC[C@@H](C1)N2 2270390658 SSYMIAVCGWCIIH-CALCHBBNSA-N 279.493 4.697 30 10 CJEE Cc1cc2sccc2c([C@@]2(C#N)CCC[C@@H](C)C2)n1 2270612208 SCQHBNIAJOATRF-BZNIZROVSA-N 270.401 4.576 30 10 CJEE C=CCCCSC[C@H](NCCC)[C@@]12CCCC[C@H]1C2 2271496547 YEHGLPRSOHUMBU-YESZJQIVSA-N 281.509 4.634 30 10 CJEE O=C(C#CC1CCCCC1)Cc1cc(Cl)cc(Cl)c1 2273906062 RPERPBVPLVQYRZ-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE CC(C)CC1([C@H](N)CC#CC2CCCC2)CCCC1 2274123854 WXAZEPRPEYEUBH-QGZVFWFLSA-N 261.453 4.504 30 10 CJEE CC1(C)CC(C)(C)CC(N)(CC#CC2CCCC2)C1 2274130457 MVEDCBZXMQWTIU-UHFFFAOYSA-N 261.453 4.504 30 10 CJEE N#CC[C@H](SCC12CCC(CC1)C2)c1ccccc1 2274348844 NJFDKYWWOUTKMI-WIHSUSGWSA-N 271.429 4.955 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CCC[C@@H]1C 2276414517 GYNQYYLVIHIHRS-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H](C)C1CC1 2276601781 NDNRPYFPJKOXKU-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(C#N)NCC(F)(F)F 2278181477 VXGNTYDKHDDCQY-CYBMUJFWSA-N 278.362 4.561 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)c1ncc[nH]1 2278245563 MTUZLBUZIJQWNW-HUUCEWRRSA-N 265.445 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)C(C)C 2278245781 WSJCYNUTFJOBIT-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCCNCc1nc(C(C)(F)F)cs1 2278698553 QGZCNNUTZXSIDQ-UHFFFAOYSA-N 290.423 4.705 30 10 CJEE N[C@H](CC#CC1CCCCC1)C[C@@H]1CCCCC12CC2 2279515518 GJBPZFOKXMYMRV-ZWKOTPCHSA-N 273.464 4.648 30 10 CJEE C=CCCC[C@H](NCC)c1ccc2cccc(C)c2n1 2279602814 IHOCONYHWGZRJC-INIZCTEOSA-N 268.404 4.550 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C(F)(F)F)C1 2279647920 XTIWKMSGIDCRDB-MCIONIFRSA-N 294.405 4.548 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1sc(C)c(C)c1C 2279998225 NUQISGPWOKHHEW-QGZVFWFLSA-N 296.476 4.968 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1c(C)sc(C)c1C 2283745185 GOJJEGICCOZLSQ-HNNXBMFYSA-N 296.476 4.968 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H](OC)C2CCCC2)C1 2283991392 AKXKUDVGZPMIDI-MWQQHZPXSA-N 295.492 4.643 30 10 CJEE C=CCCCCCCCSCCOc1ccccc1N 2287096246 IYDJNGJGRIKZND-UHFFFAOYSA-N 293.476 4.907 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCC[C@]2(C1)CC2(F)F 2287409583 WPTZUCJSCFDKMB-JYJNAYRXSA-N 285.422 4.927 30 10 CJEE C(#CC1CCCC1)CN1CCC[C@@H]1C1CCCCCC1 2289856222 ZHWXHVCMJQFBNE-LJQANCHMSA-N 273.464 4.615 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CC2CC(CC(C)(C)C)C2)C1 2290114871 WVEAKOPXKZQXCH-UNGSAITNSA-N 277.452 4.938 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCC(C)(C)C1 2292766945 HRLKMDPELXGQHO-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC1(OCCN)CCC(C)(F)CC1 2292803862 ZKRLBEZEUKEFJR-UHFFFAOYSA-N 285.447 4.529 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCC2(CC2)C1 2293891350 YBRHPDVRDGYAEO-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C=CCC1)OCCCN 2294142265 PQJYJCBCIZNHDA-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CCC2(CCCCC2)C1 2294176709 FRCUPULEOPGMPD-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCC[C@@H](C(C)C)C1 2294231126 OJNRAHZGXQACMG-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@]1(C)CC1(F)F 2294357879 VEXDFGONIJJSKD-CABCVRRESA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@]1(C#N)CCCSC1 2295692643 YRBQBEYBWUOYMK-SJORKVTESA-N 297.508 4.915 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(CCC)NC1CC1 2295765164 AHVPXJYWLIAOLI-DOTOQJQBSA-N 296.524 4.750 30 10 CJEE Cc1ccc(SN=Cc2c(O)ccc3ccccc23)cc1 2297749226 SFUAIBHPGDRCFL-UHFFFAOYSA-N 293.391 4.980 30 10 CJEE C=C(C(=O)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2306248965 JDQZYSNPKTXFJP-UHFFFAOYSA-N 275.150 4.918 30 10 CJEE C=C(C)CCCC[C@H](N)c1c(F)ccc(C)c1Cl 2313998829 VGUAZNKGHWVSEP-ZDUSSCGKSA-N 269.791 4.924 30 10 CJEE C=CCCCCCCCCCNC1[C@H](C)C[C@H]1C 2316949799 ZQKVGEZUQBZAQV-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)C1(Cl)CCCC1 2318310250 ABQYCPNOMVGMPJ-SNVBAGLBSA-N 283.202 4.564 30 10 CJEE C=C(C)C[C@H](Cc1ccc(C)cc1Cl)NCCC 2319289624 VWTXTSMSAYODKO-OAHLLOKOSA-N 265.828 4.525 30 10 CJEE C=CC[C@H](C)[C@H](CCCC[C@@H]1C[C@H]1C)NCCC 2321095378 IKVRDLWLAGBEQL-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(C)(F)F)NCCC 2321103023 WERVFFWXUKCPNK-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H](CC)CC(F)F)NC 2321128959 XYESTGDBRNEEGX-GUTXKFCHSA-N 261.400 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CC(C(C)(C)C)C1 2321221563 AXJGXOFQHGHEFC-OCUYMYNFSA-N 252.442 4.802 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1CC2(CCCC2)C1 2321224839 UBYZKMOCRIUFCH-CVEARBPZSA-N 250.426 4.700 30 10 CJEE C=CC1(C[C@@H](N)c2cc(F)c(Cl)cc2Cl)CCC1 2325229049 LTGAHQPJQYGTER-CYBMUJFWSA-N 288.193 4.879 30 10 CJEE CCC1(CC)CCCN1C[C@@](C)(CS)C(C)(C)C 2327091718 ZETIKBKIQDVULD-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332235282 IKOIRLHGDKQUEK-SOMFZHDCSA-N 263.469 4.760 30 10 CJEE C=C1CC(C[C@@H](NCC)[C@@H]2C[C@H]2C2CCCCC2)C1 2332700742 VTSAXRAZYFVTMW-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)OC(=O)C1CCC(CCC)CC1 2335108088 YQMBKGZPEZVPAT-UHFFFAOYSA-N 264.409 4.657 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC2(CCC2)[C@@H]1NCC 2335189692 BHXZYQUZXNSYDS-HZPDHXFCSA-N 279.493 4.551 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cnc(C(C)(F)F)s1 2335674002 NAYWLXHWVNOKNN-YGRLFVJLSA-N 284.375 4.517 30 10 CJEE CCCCCCC[C@@](C)(OC(C)(C)C(C)C)C(=O)O 2337630214 ZTHQENGTMOKXFY-MRXNPFEDSA-N 272.429 4.641 30 10 CJEE CCCCCCC[C@]1(C(=O)O)C[C@H]2C=C[C@H]1CCC2 2338636508 XUWMRYYUZCURIB-INMHGKMJSA-N 264.409 4.794 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(C2CCC2)cc1 2338702407 MMLVPGKNMBDMON-SFHVURJKSA-N 256.389 4.756 30 10 CJEE O=C(C[C@@H]1C[C@H]2C=C[C@H]1CCC2)C1=CCCCCC1 2339291916 WAGBRCZHXLOCIX-INMHGKMJSA-N 258.405 4.829 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#C[C@H]1CC1(F)F 2340996977 IAUBZAPHUZNIRY-LSDHHAIUSA-N 272.379 4.537 30 10 CJEE CC(C)=CCC[C@@H](C)OCc1ccc(C#N)cc1Cl 2341731275 ZNPJUCZGNFISPU-CYBMUJFWSA-N 277.795 4.863 30 10 CJEE CC1(C)CC[C@]1(C=O)CCCCC(F)(F)C(F)(F)F 2342351263 NVESPBGGUAOGQE-NSHDSACASA-N 286.284 4.750 30 10 CJEE C[C@@H]1C[C@H]2C[C@](CC3(C#N)CCCCCCC3)(C2)O1 2342635310 SLKNDMNWAPZCPB-INMHGKMJSA-N 261.409 4.588 30 10 CJEE CC#CCCC[C@@H](NCC)c1cccc(C(C)C)c1 2343602859 FKGGIWQGBLTPHL-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@H]1CC1(F)F)NCCC 2344338421 ZETXYYQLLXJJIG-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccccc1C(F)(F)F 2344338609 ATXNCNHZJPSDJQ-ZDUSSCGKSA-N 271.326 4.568 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC#C[Si](C)(C)C)NCCC 2344370562 CQJPYJPFVSOIPW-IAGOWNOFSA-N 279.544 4.618 30 10 CJEE CN(CC1(C)CCCCC1)CC1(CS)CC(C)(C)C1 2345010147 KHUVWDKTGCRRHF-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=C[C@@H](C)C[C@H](N)CC1CCC(CC(F)(F)F)CC1 2353167678 ZYMFHFNQJCHONE-RYSNWHEDSA-N 277.374 4.675 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C#N)CCCCO2)c1Cl 2353186789 SAEXHNBNGOQZCV-ABAIWWIYSA-N 298.213 4.868 30 10 CJEE CSc1cc(N[C@H]2CC(C)(C)C2(C)C)ccc1C#N 2353825030 PHCLVDOCOQLISV-AWEZNQCLSA-N 274.433 4.517 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(SC)c2)[C@@H]1C 2353834132 LDHRCHDLPJLAJG-LALPHHSUSA-N 274.433 4.517 30 10 CJEE CSc1cc(N(C)c2ccccc2Cl)ccc1C#N 2353844295 AADZYLGXMRDMCK-UHFFFAOYSA-N 288.803 4.701 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665527 HQYWLFOJWMQCGL-FZKCQIBNSA-N 286.406 4.945 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@]2(C)CCO[C@@H]12 2360179621 JCRHHBICVVSFLK-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2360215295 TVIULNYWNKYGOK-USXIJHARSA-N 276.420 4.657 30 10 CJEE N#CCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 19725639 IURXJZRHPWXHPT-UHFFFAOYSA-N 266.731 4.554 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1 37154051 RJTCVDIZKPCGRV-BXUZGUMPSA-N 265.809 4.905 30 10 CJEE CC/C(C)=N/N=c1/[nH]c(-c2ccc3ccccc3c2)cs1 40148056 MYYOZYDNLIDTQW-XDHOZWIPSA-N 295.411 4.583 30 10 CJEE CC(C)(C#N)c1ccc(-c2ccccc2Cl)cc1 41326149 JARLTWHJPHFWNW-UHFFFAOYSA-N 255.748 4.808 30 10 CJEE CC(C)(C)c1ccc(C[C@H](C#N)c2ccccc2)cc1 41357486 IFNBYTFHYJHPOX-QGZVFWFLSA-N 263.384 4.834 30 10 CJEE CC[C@@H](CC#N)N[C@@H](C)c1ccc(-c2ccccc2)cc1 54182504 XGNIIUJQHJKRGY-KXBFYZLASA-N 278.399 4.696 30 10 CJEE Cc1ccccc1[C@@H](C#N)CCOc1ccc(Cl)cc1 57686742 OSTSXWADNDZNNF-CQSZACIVSA-N 285.774 4.725 30 10 CJEE CCCCCCCCCOc1ccccc1CNC 59178716 LUBFHUSRMBFTRY-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCCCO[C@@H]1CCCCC[C@@H]1C#N 59187921 HEJVMSAPZZVDLQ-HZPDHXFCSA-N 251.414 4.836 30 10 CJEE CC[C@H](C)c1nc(C#N)cc2ccc(C(C)C)cc12 77258908 ZUJSNLMHLNINNT-LBPRGKRZSA-N 252.361 4.743 30 10 CJEE N#Cc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)cc1Cl 81627667 CYVMBUZLSKPZSD-OCCSQVGLSA-N 274.795 4.592 30 10 CJEE CC[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@@H]1C 86097398 QPSFYSNTBBGNQJ-SUNKGSAMSA-N 296.336 4.814 30 10 CJEE CCCC[C@@H](CC)COC[C@@H](CS)C(C)(C)C 94584019 OUOSYNYRNVKIFW-KGLIPLIRSA-N 260.487 4.812 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(N)cc1 103502464 PVANWHIZZUEORZ-LJQANCHMSA-N 281.465 4.517 30 10 CJEE CC#CC[C@H](C)c1cc(C)c(C)cc1Br 107479762 VLEGGCKAWIVIKI-JTQLQIEISA-N 265.194 4.583 30 10 CJEE CCC#C[C@H](C)Cc1c(C)c(Cl)cc(C)c1OC 107648867 COWGZFZDWBMTKC-NSHDSACASA-N 264.796 4.557 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1OC)NC 112893658 TXDYTIBRXNTKKL-KRWDZBQOSA-N 277.452 4.576 30 10 CJEE CCCCCCCC[C@@H](N)CSc1ccccc1 115648328 DOUYRKBPFTUHQN-OAHLLOKOSA-N 265.466 4.857 30 10 CJEE CCCCCCCOCc1ccc(CCNCCC)cc1 125752455 ZCKWVWFXXGMLGP-UHFFFAOYSA-N 291.479 4.716 30 10 CJEE CCSc1cccc(N[C@H](C)c2ccsc2)c1C#N 127046751 VYWILQWRIQDQLE-LLVKDONJSA-N 288.441 4.905 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@@H]2CCCc3ccccc32)c1 127828864 LMKQVWYYUGNVCV-HNNXBMFYSA-N 296.801 4.744 30 10 CJEE CCCCCCCCCCNc1cccc2nccn12 127867006 LHLBGKYHHKTOOU-UHFFFAOYSA-N 273.424 4.887 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCCC)C[C@@H]1C 129391553 VRFIQZLCSIRIDG-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1cncs1 129902159 MSPRTNMSXUZWMO-HNNXBMFYSA-N 297.512 4.959 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H](C)C(C)C 131280993 FUVQYNIDWCCPHI-CVEARBPZSA-N 256.478 4.641 30 10 CJEE CCCCCCCCOc1ccc(C[C@H](C)NCC)cc1 132087932 ZVAQIFNAOHEFPL-KRWDZBQOSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)CC1=O 137463625 YTUZAGJVMBEXPV-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCCCCCCCCC(=O)CC1(N)CCCCC1 159670668 LSBKXEAVAASUBA-UHFFFAOYSA-N 267.457 4.748 30 10 CJEE CCCCCCCCC(=O)C(CC)(CC)OCC 160648314 BMIAKWASVGENOV-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE CCCCCCCCCC[C@H](N)C1C[C@H]2C[C@@H]2C1 162328547 WTYWPTIQHSRFIF-INMHGKMJSA-N 251.458 4.891 30 10 CJEE C=C(C)CC[C@H](CSc1ccc(F)cc1)NCCC 164639910 DQURYOVGPYRELW-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE CCOc1ccc([C@@H](C#N)C2CCCCCC2)cc1 167859669 NTTZUWYJXCWGLF-KRWDZBQOSA-N 257.377 4.663 30 10 CJEE Cc1cccc(C#N)c1Nc1c(F)cc(F)cc1Cl 221096824 RWYHPXWDZCNYDF-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCC[C@H](C)O[C@@H]1CCC[C@](C#N)(NC(C)C)C1 227320656 BERLBDIVWWVURM-KSZLIROESA-N 294.483 4.565 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnc(C)s1 232928367 CDMIKHGFZNGPSV-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCC[C@H]1CC[C@@H](C(F)(F)F)CN1 232928392 SGGVLMXNVMZNCT-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE CCCCCCCCCNCCCCCSC 232944287 XXECDOSGERIWAO-UHFFFAOYSA-N 259.503 4.860 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1cc(Cl)ccc1N 232945907 KMWCUBURDKJBKD-ZDUSSCGKSA-N 297.826 4.841 30 10 CJEE CCCCCCCCC[C@H](N)c1ncccc1Cl 232990651 MIHLKZVLLOZUDE-AWEZNQCLSA-N 268.832 4.876 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ccsc1 233124871 LZTPHTCCJKSLCM-HNNXBMFYSA-N 251.439 4.925 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@@H]1c1ccccc1 233540530 MWKQPUQOWVWKCX-QRVBRYPASA-N 271.448 4.905 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(Cl)cc1C 233615368 ZJPRMURQIAMQDZ-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(C)c1Cl 235809721 IZAZNIKZFXAWTK-CQSZACIVSA-N 251.801 4.785 30 10 CJEE Cc1ccc(Cn2ccc3cc(C#N)ccc32)c(Cl)c1 235980196 BCFWBNGCIMUPFJ-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE O=C(C=C1CCCCC1)[C@@H]1CCOC2(CCCCC2)C1 236405250 AZPISVKORMXAEF-MRXNPFEDSA-N 276.420 4.576 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC[C@H]1CCC 250819953 KXQWSQPRNYAVDG-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE Cc1ccc(C)c(N=Cc2cc3cccc(C)c3nc2O)c1 254442717 XZLFMRLSQRADHQ-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE O=C(/C=C\c1ncc(-c2ccccc2)s1)c1ccsc1 255573561 SJOWVLRBBUVPRV-SREVYHEPSA-N 297.404 4.768 30 10 CJEE N#CC1(c2ccc3c(c2)CCCCC3)CCCCC1 260760627 WKFSCPAGHATIRG-UHFFFAOYSA-N 253.389 4.681 30 10 CJEE C=C(Br)CSc1cc(Cl)ccc1Cl 306423577 GPDQGGSQEWXUMM-UHFFFAOYSA-N 298.032 4.994 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1c(F)cccc1Cl 311708950 NFCNBTIMUMLNMT-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc3ccccc3c2F)CC1 312333960 KSCGFLDAHXBPNM-GFCCVEGCSA-N 268.331 4.908 30 10 CJEE CCC1CCC(C=O)([C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 316779187 FZMWTPPRGPKCJP-BDYLLLIDSA-N 250.426 4.844 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCC[C@H]2C)c(Cl)c1 316835528 SHDVQNLYQWOCFE-CJNGLKHVSA-N 264.796 4.586 30 10 CJEE C=C(C)CCNc1cccc(OCc2ccccc2)c1 381050502 GWTVSNDQIZVCSU-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE C[C@@]1(c2ccc(Cl)cc2Cl)CC[C@](C)(CC#N)O1 381255791 NUSQLPDSVGUMOE-KGLIPLIRSA-N 284.186 4.691 30 10 CJEE CCCC(CS)(CCC)COC[C@H](OC)[C@H](C)CC 384807992 ZTBYCXOUGGSNRT-CABCVRRESA-N 290.513 4.581 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2c(OC(C)C)cccc21 393797269 LGAWCOLURKOVRD-LBPRGKRZSA-N 290.432 4.639 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1C)[C@H]1CC1(C)C 397669242 HMKPVGBQOMODNK-RDJZCZTQSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCNCc1ccc(O)cc1F 404095655 XVBNHAHGUMURLU-UHFFFAOYSA-N 281.415 4.762 30 10 CJEE C=CCCCC(=O)c1ccccc1NC(=O)OC(C)(C)C 405567141 IRHCCHZNZWMMOH-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(CC)[C@@H](CC)c1ccccc1 464547422 JBDQLXRTJJEUNR-RDJZCZTQSA-N 273.420 4.589 30 10 CJEE C=CCCc1ccccc1NCc1ccc(COC)cc1 500451225 LMTMVCNMQQOPNN-UHFFFAOYSA-N 281.399 4.564 30 10 CJEE CC(C)C1CCC(C#N)(CC[C@@H]2CCCCO2)CC1 688120712 LFZDZGIRDYWWGN-CGZBRXJRSA-N 263.425 4.692 30 10 CJEE C=CCC1(n2c(S)nc3cc(C)c(C)cc32)CCCC1 690711513 UTAKWEHEGBALMN-UHFFFAOYSA-N 286.444 4.787 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(Cl)cccc1OC 692242708 ZFARYNOUGXBZRL-CJNGLKHVSA-N 293.838 4.573 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCCOC2CCCC2)C1 699954482 HYVXGCVFNYLYBE-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCCc2ccccc21 701868782 WVYVSQSIKGQGSA-KRWDZBQOSA-N 257.421 4.646 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(C)cc1Cl 703961181 LQZSWJXBFSAHHL-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE CCCCCCCCCCC(=O)c1ccns1 705385608 IDYINSFCTVAISQ-UHFFFAOYSA-N 253.411 4.857 30 10 CJEE CC[C@H]1CCC[C@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 711155079 YIZTZIDNRQSSQS-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1c(Cl)cccc1C(F)(F)F 715717259 BWNQKGZAHUSEPJ-ZANVPECISA-N 291.744 4.832 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(F)cc2Cl)CC1 724542155 IUROHOUIIAZEGA-OAHLLOKOSA-N 268.759 4.649 30 10 CJEE C=C1CCC(C[C@H](N)c2cc(Cl)ccc2C)CC1 724550277 VNJQHMHBKJWKEC-INIZCTEOSA-N 263.812 4.785 30 10 CJEE CC(=O)c1cccc(C#Cc2ccc(Cl)c(Cl)c2)c1 725437771 ZNQGXMGLEJUJDV-UHFFFAOYSA-N 289.161 4.596 30 10 CJEE C=CCCCN(C)C(=S)Nc1ccc(CCCC)cc1 736450849 XVYMLJYLOISPNU-UHFFFAOYSA-N 290.476 4.624 30 10 CJEE Cc1ncsc1/C=C\C(=O)c1cc(Cl)cc(Cl)c1 755707501 ZTXDOXUDJCTLMW-IHWYPQMZSA-N 298.194 4.654 30 10 CJEE CCOc1ccc(N=Cc2ccc(N(CC)CC)cc2)cc1 1084371322 ZUZADGRFYKJRMZ-UHFFFAOYSA-N 296.414 4.682 30 10 CJEE Cc1ccc(O)c(N=Cc2cccc(Cl)c2Cl)c1 1084410172 PMASTMJTWZCZNF-UHFFFAOYSA-N 280.154 4.758 30 10 CJEE C=CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)c1ccccc1 1124819841 UDWKEDFAHZVDAW-CABCVRRESA-N 273.420 4.524 30 10 CJEE C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 1136305018 WMSGQNDFJBYCBU-CQSZACIVSA-N 298.213 4.623 30 10 CJEE C=CCOc1ccc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)cc1 1181689364 ZTGMVMGJFFJBFB-FCEWJHQRSA-N 287.447 4.556 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc2c(c1)[C@H](O)CCCC2 1182795827 LQEFJWUBTYZLAZ-CRAIPNDOSA-N 273.420 4.603 30 10 CJEE N#CCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cn1 1242785577 UZAGMTRSKJDLBQ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CC[C@H](C(=O)Oc1ccc(CCC)cc1)c1ccccc1 1265747571 OVNLKOHEYBPMSZ-IBGZPJMESA-N 294.394 4.904 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1269349741 GRBRHQUMFSIAJH-GJZGRUSLSA-N 279.468 4.700 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)CC(C)C)c1ccccc1 1279070582 TVTIVCNWSMDUFR-ZBFHGGJFSA-N 260.377 4.529 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc2ccc(F)cc2s1 1307163341 DVWFZOHQSRAOAM-WCQYABFASA-N 290.407 4.982 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 1308482639 RQICTLUXQTVIHD-ISTRZQFTSA-N 275.823 4.662 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)C1CCC(F)CC1 1308880424 IETLNEQLDRYXNZ-WXLSXGNJSA-N 255.421 4.628 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C(C)=C/c1ccc(Cl)cc1 1357587497 SDSYZOZBHQRBIY-FNDVETGQSA-N 291.822 4.604 30 10 CJEE C#CCCCCCCN1CCC[C@H]1[C@@H](C)c1ccccc1 1460821233 VSDISFUCVBRENF-ICSRJNTNSA-N 283.459 4.838 30 10 CJEE C#CCC1(NC[C@H]2CCCCC2(C)C)CCCCC1 1460832960 WXAQFYKXFCZJDR-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H](C)NCc1ccc(Oc2ccc(OC)cc2)cc1 1461211897 PONMINRCZQUSGI-OAHLLOKOSA-N 297.398 4.542 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc2cc(F)ccc2o1 1461630257 JJXHCVSGUINECY-GUYCJALGSA-N 287.378 4.796 30 10 CJEE C=CCC[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 1462051004 QACSLFSAYUBGHX-IEZWGBDMSA-N 271.448 4.890 30 10 CJEE C=CCCN[C@H](CC(C)C)c1ccc(Cl)cc1 1473323615 RRSGCBDBDAJROX-OAHLLOKOSA-N 251.801 4.593 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCC2CCCCC2)CCCC1 1529375844 HGIDOZIFHDGOOS-MRXNPFEDSA-N 291.479 4.988 30 10 CJEE C=CC[C@@H]1N(C(=O)C2C[C@H](C)C[C@@H](C)C2)CCCC1(C)C 1530840133 QNBYSATWOAZNRM-INMHGKMJSA-N 291.479 4.652 30 10 CJEE C=C(CC(C)C)C(=O)NCC1(c2ccccc2)CCCCC1 1539699118 NMWCEJGIRUWVJK-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H](C)CCC=C(C)C)c1ccccc1 1543755898 SLSDRCIQOSLGQG-IEBWSBKVSA-N 299.458 4.988 30 10 CJEE C#CCCCCCCSc1nc2ccccc2nc1C 1559358245 DAKPGUHPTAFFCH-UHFFFAOYSA-N 284.428 4.614 30 10 CJEE CC(C)c1ccc(CN(C2CC2)[C@H](C)C#N)c(C(C)C)c1 1559979817 CKVLEVKSYBSUPC-OAHLLOKOSA-N 284.447 4.810 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(C(C)(C)CC)cc1 1568621381 PGMXTWYZERPFLC-UHFFFAOYSA-N 273.420 4.915 30 10 CJEE CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(C)c(F)c1 1621205219 CQIXYNWUQPZWPG-BBRMVZONSA-N 276.399 4.503 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 1628821281 ZHJMXTHLPARDFR-HOTGVXAUSA-N 285.431 4.628 30 10 CJEE CCCCCCCCN1CC[C@H]1c1cccc(F)c1 1652639987 FLHFSBVQHHNFDQ-KRWDZBQOSA-N 263.400 4.933 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cccc(OC(C)C)c1 1653085880 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1909665587 NODBKFKMGLGXBZ-INIZCTEOSA-N 270.401 4.737 30 10 CJEE CCCCCCC[C@H](N)Cc1cccc(Cl)c1C 1913049194 VTSJRWMUQHHALZ-HNNXBMFYSA-N 267.844 4.879 30 10 CJEE C#CC(C)(C)N(Cc1ccccc1)[C@H](C)c1cccs1 1914903487 OFDDZUATIVPRAE-OAHLLOKOSA-N 283.440 4.723 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCC3(CCCC3)C2)C1 1916400572 SDHMDNHUXXDIPO-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[S@](=N)(=O)[C@H]1CCC[C@H](C)C1 1917915147 FFBYDVDPHYWYHD-MPGHIAIKSA-N 273.486 4.972 30 10 CJEE C=C([C@@H](NCC)c1cc2ccccc2s1)[Si](C)(C)C 1922863101 OJSDYVMPORITBE-MRXNPFEDSA-N 289.520 4.986 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCC[C@H](C)C1)[Si](C)(C)C 1922962069 GUCVBUNFQJLWBK-IMJJTQAJSA-N 267.533 4.615 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC(C)(C)C)C1 1932045900 ZQVYSBWMDAQVKM-QRQLOZEOSA-N 298.474 4.863 30 10 CJEE CCCCCCCCC[C@@H](O)c1csnc1C 1945128895 MUUPIOBEUCIIQQ-CQSZACIVSA-N 255.427 4.626 30 10 CJEE C=C(C)CCc1cc(Cl)cc(Br)c1 1953821490 SLJPAEOCUZDEOU-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE 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289.448 4.557 30 10 CJEE C#CCCCCCN[C@H](C)c1ccc2ccccc2c1 2206329184 DKCQMLSVCZLURU-MRXNPFEDSA-N 265.400 4.684 30 10 CJEE C=CCCCCCC[C@H](O)c1cncc(C(C)(F)F)c1 2206895288 SMEQUWDQYYRVAQ-HNNXBMFYSA-N 283.362 4.753 30 10 CJEE C=CCCCCCCN(C)[C@H]1CCC(C)(C)C[C@H]1OC 2206896246 BYSYYLAPFQHXHT-DLBZAZTESA-N 281.484 4.648 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1cnc(Cl)n1C 2206900990 YLACEBMKOYIAOS-CQSZACIVSA-N 297.874 4.641 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1c(OC)ccc(Cl)c1F 2207317196 KBAJDQUFXBBNSR-DGCLKSJQSA-N 299.817 4.741 30 10 CJEE C=CCCCCCCCC[C@]1(O)COC[C@@H]1CC(C)C 2207390897 JYGGJSHAPAHVEH-ROUUACIJSA-N 282.468 4.717 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C[C@H]2CC[C@H]1O2 2207391541 MKNVZZMQLPALHM-ZJPYXAASSA-N 279.468 4.578 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)C1CCCCC1 2207414037 MFOIZCQFZHUVBU-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCNCC12CCC(CC1)O2 2207433751 AOGRLUBVBQDIOG-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE O=C1C=C(c2ccc(Br)cc2Cl)CCCC1 2212321573 YOMOIOPXVYUDTH-UHFFFAOYSA-N 299.595 4.629 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CC[C@H](C)S1 2214621382 FJJYYNUPTFJBKZ-SOUVJXGZSA-N 255.471 4.515 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CC[C@@H]1C 2220613490 RLBNUBASDWZPLH-DLBZAZTESA-N 251.458 4.881 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCCSC1 2223856373 CIGSOXMBZQXGGW-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C#C[C@@H](CC(C)C)NCCCCCCCCCC=C 2226325627 GLQHTCMPMVWNCD-SFHVURJKSA-N 263.469 4.931 30 10 CJEE C=CCCCCCCCNCC[C@H]1C[C@@H]1C(F)(F)F 2227274515 UMGULJWTGXKOMI-KBPBESRZSA-N 277.374 4.691 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2228475982 WMCYQFRTCZIKCK-LTIDMASMSA-N 283.525 4.844 30 10 CJEE C[C@H](CC(C)(C)C#N)N[C@@H]1CCC[C@@H](C(C)(C)C)C1 2229828642 JOAKMTCALGUZNI-RBSFLKMASA-N 264.457 4.509 30 10 CJEE CC(C)(C)C#CCN[C@@H](c1cccs1)C1CCCC1 2230495751 XBEAQPMRKVEYBS-MRXNPFEDSA-N 275.461 4.619 30 10 CJEE CC(C)(C)C#CCCNCC(C)(C)C1CCCCC1 2230499802 UCIFJEPABIDWJC-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCCCCO[C@@](CC)(CCC)C(=O)O 2230992242 KGMJWHHJWATZJD-INIZCTEOSA-N 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268.404 4.700 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2csc(C3CC3)c2)C1 2283060083 HFQLXPAHRVRHPX-JLZZUVOBSA-N 289.444 4.769 30 10 CJEE C[C@@H]1CC[C@@](C)([C@H](N)CC=CC#CC(C)(C)C)C1(C)C 2284157529 GEZAPGAFLYLLLT-MDZRGWNJSA-N 275.480 4.772 30 10 CJEE CC(C)CC1([C@H](O)CC=CC#CC(C)(C)C)CCCC1 2284178048 KSARVDLVGMOXFW-QGZVFWFLSA-N 276.464 4.950 30 10 CJEE C[C@@H](NCC=CC#CC(C)(C)C)[C@H]1CCCC(C)(C)C1 2284182556 FSKGHQCDFFMTKP-SJORKVTESA-N 275.480 4.787 30 10 CJEE C=CCCCCCCCSc1ncnc(N)c1C(C)C 2287096710 OBHKHODEJVWFGQ-UHFFFAOYSA-N 293.480 4.801 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CC)C[C@](C#N)(NC(C)C)C1 2287096830 PBKSQNANUNTKOY-BBWFWOEESA-N 294.508 4.525 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@](C)(O)CCCCCCCC 2287371050 YFPWHUMOHMOFGJ-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CC(OC(C)(C)C)C1 2287409447 UVJPGEWRJMJGJN-JCYILVPMSA-N 281.484 4.695 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cc(F)ccc1F)NCC 2287413311 IVSSNOOKBHLLHZ-INIZCTEOSA-N 281.390 4.622 30 10 CJEE N[C@@H](C#CC1CCCCC1)[C@H]1C[C@@H]1C1CCCCCC1 2289712689 ODEVTWLGDKLJLV-QYZOEREBSA-N 273.464 4.504 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2289773269 UDABIJRMZYAVNT-NCXUSEDFSA-N 274.448 4.538 30 10 CJEE CCCCCCC[C@](C)(CC[C@@H]1C[C@@H]1C)OCC(=O)O 2291824220 BMCSXONGYFKWKP-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](CCC[C@H]1CC1(C)C)OCCN 2292942832 HSBFWBCGDLRUJH-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCCN)c1ccccc1Cl 2293142034 NMOXWVHHWJOKTA-WMLDXEAASA-N 295.854 4.523 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCCC12CCC2 2293411273 QZBSBWIUDAVSRA-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C1CC(C)C1 2293706950 XKNKWARBKAJJOM-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE C=CCC[C@](C)(OCCN)C1CCC(C(C)(C)C)CC1 2293943960 VXWNXQSTKYDBTH-HTWSVDAQSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCCN)CCSC1 2294021781 SVBQBYOCLUCYKV-QGZVFWFLSA-N 299.524 4.534 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(O)C#Cc2ccccc2Cl)C1 2295234908 QADYWZPZXIDVFG-MAUKXSAKSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)[C@@](O)(CC(C)C)C(=O)O 2295530677 CAJXGRKSTGXEOW-WBVHZDCISA-N 286.456 4.625 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(CN)CCC1(C)C 2295589199 JBMAATDWWLIKKW-ROUUACIJSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@@H](CC(C)C)O1 2295675242 ZJEYCUHSEASAMH-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CC(C)N[C@](C#N)(CCCSCC1=CCCC1)C(C)C 2296271626 GRQMUWCRPRAGNW-KRWDZBQOSA-N 294.508 4.526 30 10 CJEE CCCCCCCCC[C@@H](N)c1scc(OC)c1OC 2296278904 JHDCPQNQHGMRDU-CYBMUJFWSA-N 299.480 4.906 30 10 CJEE CC1CCC(CSC[C@@H](CS)CC2CC2)CC1 2298952731 KJGKHCRVDIZPFZ-PESDSKBTSA-N 272.523 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1sccc1C 2304024814 OCIXGEUJWSFFQH-CABCVRRESA-N 251.439 4.700 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1c(C)csc1C 2304036256 TUXJGWXRRRUOJC-NHYWBVRUSA-N 251.439 4.618 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSC1CC(C(F)F)C1 2307094762 SXVANYXHJDOKHS-ZPPKWKGLSA-N 282.465 4.746 30 10 CJEE C[C@@H]1CCCC[C@H]1OC[C@](C)(CS)C(C)(C)C 2307099921 FTDYCZWURHTYNM-UMVBOHGHSA-N 258.471 4.564 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2C[C@H](SC)C2)CC1 2314263839 YMFLXMQBLPFVNX-DICYVTDZSA-N 268.466 4.694 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(SC)c1 2321118124 RFJJHWPAFJNBIA-HZPDHXFCSA-N 263.450 4.661 30 10 CJEE C=CC[C@H](C)[C@@H](CC1(C(C)C)CCC1)NCCC 2321127420 JNVWHFQDKKWRDR-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)ccc1Cl 2321132500 ZGTUYQLFDMSFDI-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1cc(Cl)cc(Cl)c1 2321140707 JNTAPPNFCOVWRV-HUUCEWRRSA-N 286.246 4.856 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1sc(Cl)cc1OC 2321142160 TVZLYLTZGDKLNL-MFKMUULPSA-N 287.856 4.663 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCC(F)F)NCCC 2321149435 XQDONBDEAALXKI-DZGCQCFKSA-N 261.400 4.782 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(Cl)c(C)c1 2321177682 SFAKRPWHBUFNAZ-MRXNPFEDSA-N 264.796 4.752 30 10 CJEE CCC1CCC(OC[C@](C)(CS)C(C)(C)C)CC1 2327113371 RZMZWUGNUVWNFT-ZBCRRDGASA-N 272.498 4.954 30 10 CJEE C#CC[C@@H](C)C[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327872009 FVWMTFIWXCLIJA-YGRLFVJLSA-N 284.230 4.612 30 10 CJEE CC(C)C[C@@H](CS)CSc1ccc2c(c1)CCC2 2328535345 VPLVGKZYYUHJRK-ZDUSSCGKSA-N 280.502 4.860 30 10 CJEE C=CCC(CC=C)Oc1nc(Cl)cc2ccccc12 2335107910 VTGVHBWKODEMSD-UHFFFAOYSA-N 273.763 4.788 30 10 CJEE C=CCC(CC=C)S[C@@H](c1cccc(Cl)c1)[C@H](C)N 2335196924 IVNIBLDKZURXTF-BLLLJJGKSA-N 295.879 4.982 30 10 CJEE C=CC[C@H](C)Sc1cccc(C)c1CN[C@@H](C)CC 2335229612 OTLDKOGNDMQBIX-GJZGRUSLSA-N 277.477 4.940 30 10 CJEE CCCCCCCCCC[C@@]1([C@@H](C)O)CCCCO1 2341236137 CXHFXOIBZKCLFH-SJORKVTESA-N 270.457 4.837 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(Cl)cc1C#N 2343115189 CITLKMRCRJCWJB-SMDDNHRTSA-N 276.811 4.696 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(CC2CC2)c1 2344376919 BUZODZKQMVUFNN-KDOFPFPSSA-N 257.421 4.502 30 10 CJEE C=CC[C@](C)(NCC[C@@H]1CCC(C)(C)C1)C(F)(F)F 2344777377 LROAPGFFYHECAE-JSGCOSHPSA-N 277.374 4.690 30 10 CJEE CC(C)[C@H]1CCCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352088183 ZFERAARMGQNSAI-RDJZCZTQSA-N 285.541 4.727 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(C(C)C)ccn1 2352781501 UBJZXZOUNNOYQX-MRXNPFEDSA-N 260.425 4.731 30 10 CJEE CSc1cc(N[C@H]2CCCC(C)(C)C2)ccc1C#N 2353830471 LQRVRMZPIRVGDE-AWEZNQCLSA-N 274.433 4.661 30 10 CJEE CCCCCCC[C@@](C)(N[C@@H](C)CCCCC)C(=O)O 2353862052 CHQAONKROXIDAX-DOTOQJQBSA-N 285.472 4.749 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C(C)C)OCCN 2360100437 RJFULMHRPBVULR-BZSNNMDCSA-N 283.500 4.763 30 10 CJEE C#Cc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 36719773 FDECSADLWYHCJI-FHLIZLRMSA-N 255.405 4.541 30 10 CJEE N#Cc1ccccc1N[C@H](c1cccs1)C1CCCC1 37203111 SOYISWZDIFIVMN-KRWDZBQOSA-N 282.412 4.963 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccc(F)cc2)cc1C 57685620 XRCVWAKIIVHFKG-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1cccc(C)c1OCC[C@@H](C#N)c1cccc(F)c1 57688806 PKFHOJDNVWUSCK-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCOc1ccc([C@H](C#N)CCCc2ccccc2)cc1 57690412 RTTSSWGPSIKCAT-SFHVURJKSA-N 279.383 4.715 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)Cc1ccc(C)cc1 57723447 IVDYADRGBUTFFQ-CQSZACIVSA-N 285.774 4.507 30 10 CJEE N#C[C@@H](Cc1ccccc1F)c1c(Cl)cccc1Cl 57740895 CXHOPXYPMVHGDE-LLVKDONJSA-N 294.156 4.982 30 10 CJEE CCCCCCCOC[C@H](N)c1cccc2ccccc12 59083376 VAAZRCCNJGLSHI-IBGZPJMESA-N 285.431 4.827 30 10 CJEE Cc1ccc(/C=N/Nc2cc(Cl)ccc2Cl)cc1 59398980 UVFZXSZABLXKJF-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE CCCCCCCN[C@@H](C)Cc1cccc(Cl)c1 59434650 HYTHLMZKFUPDES-AWEZNQCLSA-N 267.844 4.831 30 10 CJEE Cc1sc(-c2ccc(Cl)c(Cl)c2)cc1C#N 77094067 ICUYAASJIGDGAT-UHFFFAOYSA-N 268.168 4.902 30 10 CJEE Cc1ccccc1N[C@@](C)(C#N)c1ccc(F)cc1Cl 78900476 ZFCIILNIPGFKTO-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CCCOc1cc(C)c(C(=O)/C=C/c2ccco2)c(C)c1C 83193467 YZNVRLAAEQXPGT-CMDGGOBGSA-N 298.382 4.890 30 10 CJEE CCC1CC(C#N)(c2ccc(Cl)c(Cl)c2)C1 86517123 OAODDMFFGHSBEK-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCC(C)(C)CC1 86902282 OIKGEWDXRKTYHX-CQSZACIVSA-N 274.383 4.777 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87930371 MSRBSGAOBNBBRR-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC[C@@H]2CCCO2)CC1 87972245 NVQMMWQEDHBUSY-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE CCCCCCCCOCCCCNC(C)(C)C 103595281 HPUZLHUNDLOCNK-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC(=O)N[C@@H](C#N)c1ccccc1 105779800 PAVKVOBWGXPZJI-KRWDZBQOSA-N 286.419 4.508 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccccc1Cl 105882716 NUGXXRDAMPHNRS-AWEZNQCLSA-N 277.795 4.877 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)CNC 109652712 CESFQFLVVQZYSY-INIZCTEOSA-N 257.462 4.532 30 10 CJEE N#Cc1ccc(Nc2cccc3c2CCCC3)cc1Cl 110251862 QTSDLYPLVUFZES-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE CCCCCCCCCNC[C@]1(N(C)C)CCC[C@@H](C)C1 110520557 JXDAZNDKIYCJBC-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccccc1OC 114872066 HHSJGVWCFKYSHF-QGZVFWFLSA-N 264.409 4.653 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC)cc1F 115062873 KRJZZFSTMKTHON-MRXNPFEDSA-N 267.388 4.585 30 10 CJEE CCCCCCCN1C[C@H](C(C)C)NCC12CCCCC2 115225449 JFHQQUGSHSZVBP-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC[C@H](NCC)C(C)(C)N(C)C 118139546 QGWUMOVZFYPZNZ-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@H](CCCCCC)NN 130024093 FQJXMRQSNLWJMG-INIZCTEOSA-N 256.478 4.929 30 10 CJEE CC[C@@H](CC1CC1)Nc1ccc(C(F)(F)F)c(C#N)c1 130956856 VRPJEYBTIVVIRV-LBPRGKRZSA-N 282.309 4.568 30 10 CJEE CCSc1cccc(OC[C@H]2CC=CC[C@H]2C)c1C#N 136710989 QZHJGENWBFHMTQ-ZIAGYGMSSA-N 287.428 4.651 30 10 CJEE CSc1ccccc1Oc1cccc(SC)c1C#N 136717733 IPIQFZVEJDZYSQ-UHFFFAOYSA-N 287.409 4.794 30 10 CJEE CCSc1cccc(NCC2CCC(C)CC2)c1C#N 167595040 LIEMVDBDNPNTQZ-UHFFFAOYSA-N 288.460 4.908 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCCc3ccccc32)c(F)c1 168278152 BOKIHBZVEQDZRH-QGZVFWFLSA-N 280.346 4.577 30 10 CJEE C=CC[C@H](C)N(Cc1ccccc1)Cc1ccccc1 196658753 XRRKRQGWQRFCJN-KRWDZBQOSA-N 265.400 4.653 30 10 CJEE C=C(CC)C[C@H](Cc1cccc(Cl)c1F)NCCC 214045048 IBOKDYKGFRHEJS-CQSZACIVSA-N 283.818 4.746 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2ncc3ccccc32)C1 224619686 XCCIFTRDVSBGMO-UNEWFSDZSA-N 281.403 4.563 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)CCC[C@@H](C)N 226398070 DUWARBMDOUMPCE-HZPDHXFCSA-N 269.473 4.850 30 10 CJEE C#CCC[C@H]1C[C@@H](CCC)CC[C@H]1CNC(C)(C)C 227527758 LOXBDFXGFXYMHC-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@@H]1CCCO1 229275339 ZCVJGFZMWMYQRY-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(Cl)ccc1C 229759130 OIOUEMVNELXVEO-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCc2cccnc21 229822042 BSOHKLUSHKJOLW-ROUUACIJSA-N 288.479 4.840 30 10 CJEE CCCCCCCCCc1nc(Br)ns1 230108013 XGKOHWWUUOOEHM-UHFFFAOYSA-N 291.258 4.594 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H](OC)C1(C)C 232912773 IMPUOKMVIQDCPR-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCNCc1ccc([Si](C)(C)C)cc1 232930890 WQOIGMCEQJBMLV-UHFFFAOYSA-N 291.555 4.682 30 10 CJEE C=CCCCCCNc1cc(C)c(Cl)cc1OC 234907625 LEAKFBFOHDQBAS-UHFFFAOYSA-N 267.800 4.815 30 10 CJEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 235913278 NCSBMPBODSYRNL-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 250822886 LWJSMOASKZOHCR-DFBDCSAJSA-N 263.469 4.761 30 10 CJEE CCCCCCCCCC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300626165 QQCWNXDDWIOTGG-XJNFMUPTSA-N 262.437 4.988 30 10 CJEE C=CCCCN[C@@H](Cc1cccs1)c1cccs1 302126402 XIIOHAQHBCXSRW-AWEZNQCLSA-N 277.458 4.649 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1F 303160609 FBXDNFRFZPCEDX-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCOC[C@@H]1C 305948235 HYQAHXFAXQONAI-JKSUJKDBSA-N 268.441 4.759 30 10 CJEE C=CCCCCN[C@@H](C)c1cccc2ccccc12 311892899 YRXLBORBMKWTML-HNNXBMFYSA-N 253.389 4.847 30 10 CJEE N#Cc1c(Cl)cccc1NCc1ccsc1Cl 312763559 PTLDFYLJKBVANQ-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCCCO1 315263392 YNZDYZFVRYYYSM-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC[C@H](C)C2)C1 317339811 RFSTZDMHJSOCPY-VVLHAWIVSA-N 250.426 4.988 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cccc(C(F)(F)F)c1 380409739 DRVUKFPERZMEJL-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1c(F)cccc1Cl 381009465 LALGDBIQENACEG-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@H](CNC(C)(C)C)O1 388436146 WREHSVKPJMFQGM-WBVHZDCISA-N 269.473 4.673 30 10 CJEE Clc1cccc(C#Cc2ccc(Br)s2)c1 394749578 RUFSNIKCUVIXQA-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE CC(C)(C#N)CCCCOc1ccc(Cl)c(F)c1F 396589623 WKHHRVIFTITCIS-UHFFFAOYSA-N 287.737 4.717 30 10 CJEE CC1(C)OB(/C=C2\CCCCC23CCCC3)OC1(C)C 396689409 ORKKYTGBGUKVKB-BUHFOSPRSA-N 276.229 4.679 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)Sc2ccccc21 464537336 GBWWKTPOBRSQSL-ZIAGYGMSSA-N 289.444 4.506 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2ccccc2)cnc1C 466260722 WUBLRCGRPLEMNP-CQSZACIVSA-N 294.398 4.598 30 10 CJEE Cc1cccc(COc2c(Cl)cc(Cl)cc2C#N)c1 675046966 ITCDMCOPFZPCMZ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C#CCCCCC[C@]1(CNC(C)C)CCCC[C@@H]1C 686703073 UYINMBSDBUNVKZ-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@]12COC[C@@H]1C2 689162837 KTJFFUUWAQXAMJ-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2cc(F)ccc21 692191729 UACGBYCGHNQWOX-SMDDNHRTSA-N 290.407 4.772 30 10 CJEE CN(C[C@@H](C#N)C1CCCC1)[C@H]1CCCC(C)(C)CC1 697849680 MJNLANBJFNROHC-SJORKVTESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCC(=O)c1c(F)cncc1F 699008660 UBYTZPUIMZUGFP-UHFFFAOYSA-N 269.335 4.683 30 10 CJEE C[C@@H](COc1c(C#N)oc2ccccc12)CC(C)(C)C 709238147 UQDWYCKNGABOJC-GFCCVEGCSA-N 271.360 4.756 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2cc(Cl)ccc21 709426619 WKZGONNZRSLCDJ-UHFFFAOYSA-N 294.851 4.971 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NN 712969612 NPOWYBUFGDWJJC-KZNAEPCWSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@]1(N)CCc2cccnc21 716240112 CYJOUYHKFSVQFC-SFHVURJKSA-N 274.452 4.713 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)NCC 716925774 LGXUVULCEMNGQR-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@]1(N)CCC[C@@H](OCC)C1 721249802 PNTVDAGUSFRERA-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@@H](C)c3ccccc32)CC1 724443636 USLGUDHVLXBADX-RDTXWAMCSA-N 255.405 4.571 30 10 CJEE N#CCc1c(C(F)(F)F)c(C(F)F)cc2ccsc12 725297483 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1197031405 KCDSIUMOYUCALC-UHFFFAOYSA-N 277.839 4.561 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(OC(C)C)c2)C1 1205908289 RCTXWDHNRZOONM-GDBMZVCRSA-N 259.393 4.631 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc2nc(O)n(C3CC3)c2c1 1207271588 XFMKDXUPYLNBLT-ZDUSSCGKSA-N 299.418 4.624 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCCC(C)(C)CC3)cc21 1207695795 BPFIJJKPUNJOIG-INIZCTEOSA-N 297.446 4.993 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@H]1CCC(F)(F)C1 1207752537 CHSHGXDQPUWLIH-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=C1CCC(C(=O)OCc2ccc(Cl)cc2Cl)CC1 1265672718 NKCRSELDNKENQD-UHFFFAOYSA-N 299.197 4.783 30 10 CJEE C=CCC1(C(=O)Nc2cccc3ccn(C)c23)CCCCC1 1269285558 FSPCTRPPQWLVMM-UHFFFAOYSA-N 296.414 4.643 30 10 CJEE C#CCCCCCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 1307502003 VKDGVETYHGIEIU-UYAOXDASSA-N 283.459 4.696 30 10 CJEE C=CCCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 1307827177 PAFGXLJZPWVUDB-SFHVURJKSA-N 269.432 4.960 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(-c2ccccc2)cc1 1350295347 MODBTPJPGUJCLH-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CC(CC)(CC)c2ccccc21 1435630991 PRFUXJXWONCLBU-GOSISDBHSA-N 285.431 4.693 30 10 CJEE C=CCC[C@@H](CCC)NCCC1CCC(F)(F)CC1 1474745215 FBOWEEHTWOCVSK-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1516568844 ZZGWSSDPDODPPC-HUUCEWRRSA-N 279.468 4.700 30 10 CJEE C=CCC[C@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 1519376252 SBEAKOHYNGTWPU-ABHNRTSZSA-N 299.458 4.882 30 10 CJEE C=CCC1(CNC(=O)c2ccccc2CC(C)C)CCCC1 1525699300 OANCJAIKTHLMIE-UHFFFAOYSA-N 299.458 4.751 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C(CC)(CC)CC 1528714878 ZFZRNOCYIILOGX-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](C)c1c(C)cccc1C 1535738622 GHIQGOFNLKKKLA-HUUCEWRRSA-N 260.377 4.510 30 10 CJEE C=CCCC[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 1537027084 QTQGUZMTBGNCSR-AWEZNQCLSA-N 299.336 4.543 30 10 CJEE C=C(C)c1cccc(NC(=O)c2coc(C(F)F)c2)c1 1539557945 LPQQAILFIMFJCC-UHFFFAOYSA-N 277.270 4.503 30 10 CJEE C=CCCCCCSc1ccc(C(=O)OCC)cc1F 1559430796 JEQGUJLPIZVIIO-UHFFFAOYSA-N 296.407 4.841 30 10 CJEE CCCCCCCCCN(C)C1(C(F)(F)F)CC1 1560158554 OQRCFUAVQGYVPX-UHFFFAOYSA-N 265.363 4.764 30 10 CJEE C=C(C)CN1c2ccccc2CC[C@H]1Cc1ccccc1 1560213052 WCHYGKOGJDUCSO-IBGZPJMESA-N 277.411 4.627 30 10 CJEE C=CCCCC(=O)N(CC(C)C)c1ccccc1Cl 1585241371 BSCQPUBQSXFIHB-UHFFFAOYSA-N 279.811 4.685 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(CCC)cc1)c1ccccc1 1586908792 FQELYXVMHXHJPE-GOSISDBHSA-N 279.383 4.547 30 10 CJEE Cc1ccccc1C#Cc1cccc(Cl)c1Cl 1614680059 HAAMVQVWTVMKHP-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C#CCCCCCCN1CC[C@H](c2ccc(C)cc2C)C1 1617713616 UTPJJUBZDYEHAM-IBGZPJMESA-N 283.459 4.676 30 10 CJEE C#CCCCCCCN1CC2(CCCC2)[C@@H]1c1ccco1 1620354139 WCAIHDPOLARDBP-SFHVURJKSA-N 285.431 4.780 30 10 CJEE C#C[C@@H](N[C@H](C)CCCCC=C)c1ccc(Cl)cc1F 1621327837 DOKABAVIEFGGOO-CXAGYDPISA-N 293.813 4.878 30 10 CJEE CCCCCCCCN1CCC[C@H]([C@H]2CCCCO2)C1 1643852581 DPAOTSWWOSDCIZ-ZWKOTPCHSA-N 281.484 4.628 30 10 CJEE C=CCCc1ccccc1NCc1ccc(N(C)C)cc1C 1652284931 HQJLNKXUWIDFDM-UHFFFAOYSA-N 294.442 4.792 30 10 CJEE C=CCC[C@H](CCC)NCC[C@@H](C)c1ccccc1 1652321555 TVQVTKMWDHTOTL-AEFFLSMTSA-N 259.437 4.905 30 10 CJEE C#CCC1(NCc2ccc(C3CCCCC3)cc2)CCC1 1654871078 MDBOVROHBOWLPX-UHFFFAOYSA-N 281.443 4.770 30 10 CJEE C=CC[C@H]1CCN1CCCCc1ccc(Cl)c(Cl)c1 1655022816 HOTCTWILWRRJNZ-AWEZNQCLSA-N 298.257 4.967 30 10 CJEE CCCCCCCN[C@@H](C(F)F)C1CCCCC1 1655118197 JCORIJOKUJNBGS-CQSZACIVSA-N 261.400 4.760 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cccc(C(C)(C)C)c1 1655141981 ZBXSPJOZCJANDD-HDICACEKSA-N 269.432 4.667 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2CC(c3ccccc3)C2)C1 1656139544 PYHXLMVLVBCNQR-JVGQSUMCSA-N 269.432 4.515 30 10 CJEE C=CCCC(C)(C)CNC1CCc2ccccc2CC1 1658408150 DLRNHDRDQBYCSZ-UHFFFAOYSA-N 271.448 4.516 30 10 CJEE C=CCCCCN1CC[C@@H](C(F)(F)F)c2ccccc21 1658763116 KWKYFJMDJXPFPM-CQSZACIVSA-N 283.337 4.899 30 10 CJEE C=C(C)c1cccc(NC[C@H](C)c2ccccc2)c1 1660163944 CQEBUEUEQVZNKF-HNNXBMFYSA-N 251.373 4.935 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)[C@@H]1CCCC2(CC2)C1 1879779865 LIRLRTVXWJULMA-IUODEOHRSA-N 274.795 4.614 30 10 CJEE CC#CCCCC[C@H](CSC1CCCCC1)NCC 1885236094 JCYPKUCNKITOIG-MRXNPFEDSA-N 281.509 4.614 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)COCc2ccccc2)CC1 1885639700 UQONPTRTRHYRIB-QGZVFWFLSA-N 286.415 4.545 30 10 CJEE CC=C(CC)C(=O)c1ccc(-c2ccccc2F)o1 1892818174 SQYOBVVHDBLEDD-UHFFFAOYSA-N 258.292 4.625 30 10 CJEE C=CCC1(NCc2c(CC)oc3ccccc23)CCC1 1913971798 GIVDAMDUEGGPTH-UHFFFAOYSA-N 269.388 4.584 30 10 CJEE N#Cc1cnc(NC2(C3CCCCC3)CCC2)c(Cl)c1 1917227900 AUAOEGKVGKUNOF-UHFFFAOYSA-N 289.810 4.522 30 10 CJEE CCCCCCC[C@](C)(O)c1cnc2ccccc2c1 1919871868 KBKZYILESFEVII-SFHVURJKSA-N 271.404 4.803 30 10 CJEE CC[C@](C)(C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 1921068380 FNLVEDXKHPZQGF-JKSUJKDBSA-N 289.762 4.573 30 10 CJEE CCC[C@](O)(C(C)(C)C)[C@@]1(C#N)CCC[C@H](CC)C1 1921119207 WRZIGCPRXORNJZ-XIRDDKMYSA-N 265.441 4.674 30 10 CJEE CCSc1cccc(N(C)CC2CC(CC)C2)c1C#N 1921354013 RRZSFUVMSIBCMH-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE CC(C)NC[C@@]1(CC#CC(C)(C)C)CCCC12CCC2 1921612643 IVSITWXXJFZVEH-LJQANCHMSA-N 275.480 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CCCCCCC[C@@H](NCCC)C1CC2(CC2)C1 2036193669 WYGBTDCHPVTDKA-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]12CC[C@@H]1C2 2039708468 XTCYNVAYRHNVGX-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@H]1C[C@](C#N)(CCSc2ccccc2)CCS1 2041723888 GDHFSIPMXRHAPS-DZGCQCFKSA-N 277.458 4.594 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@@H]2CCC[C@@H]2C1 2046486820 UWOOMBOWDOWAHO-FVQHAEBGSA-N 251.458 4.905 30 10 CJEE CCCC[C@](C=O)(CC)CC1CC(C2CCC2)C1 2056729251 CVIGURGRDIAOTD-BDVYOWHSSA-N 250.426 4.988 30 10 CJEE CCCC(CS)(CCC)CN(C)CCC1(C)CC1 2059246862 IUUPZWQKNHTGET-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE O=CC1(CCCCCC2CC2)CCC(F)(F)CC1 2065253809 TXRXRQBRWKASIX-UHFFFAOYSA-N 258.352 4.742 30 10 CJEE CCCCCCCCCC(=O)CC[C@H](C)COC 2067339723 JTVVUCAVHPEWHD-HNNXBMFYSA-N 256.430 4.759 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC2(C(F)(F)F)CCC2)C1 2071312917 PXVBVZVFVRYRDN-VXGBXAGGSA-N 262.315 4.505 30 10 CJEE CCCCCCCCN(C)CCC(F)(F)C(F)F 2074911273 KXKNHBDSBJKTAO-UHFFFAOYSA-N 271.342 4.569 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc(SC)s1 2075370156 LFSUYXGTOWHCAS-CYBMUJFWSA-N 281.490 4.704 30 10 CJEE C=CCCCCCC1(O)CC2(CCC(C)CC2)C1 2075709317 IZVSODWFORBTRQ-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)NCCC 2079722534 CBRZESPLNHWOMQ-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE Cc1ccc(C(=O)C2=CC[C@@H](C)CC2)c(Cl)c1F 2082029433 OYDFMRQWNWNRKO-SECBINFHSA-N 266.743 4.717 30 10 CJEE CCCCC#CC[C@H](NCC)c1cscc1CC 2083408132 MMZHXIBVYKWXBS-INIZCTEOSA-N 263.450 4.545 30 10 CJEE CCCCCC#CCN[C@@H](C)c1cccc(Cl)c1 2083411587 RIFSYZJIJRMOTK-AWEZNQCLSA-N 263.812 4.574 30 10 CJEE C=CCCC[C@@H](O)c1ccc(-c2ccccc2)s1 2085272303 NWVDLUCYXRBWOQ-CQSZACIVSA-N 258.386 4.805 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1CCC[C@H]1C 2085855313 ZFXFLDADXGTJKG-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CC#CCCC[C@H](CC[C@H](C)CCCC)NCC 2085919170 IAVBFSSYXGHKEN-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCCC#CC[C@H](CC[C@@H](C)CCCC)NCC 2085919911 OZJXWTXDPCCVIK-DLBZAZTESA-N 251.458 4.765 30 10 CJEE 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4.632 30 10 CJEE C=CCC(CC=C)Nc1ccc(C)c(C(F)(F)F)c1 2338728226 SDCRPHNOYQCWFR-UHFFFAOYSA-N 269.310 4.947 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2338774778 BJNXTERVXRNTKU-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE CCCCCCCc1nc2ccc(C3CC3)cc2[nH]1 2339248844 RYWRFTJGRZCKEI-UHFFFAOYSA-N 256.393 4.953 30 10 CJEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1scc(C)c1Cl 2339573131 STSHLTACWITJKK-CHWSQXEVSA-N 295.879 4.800 30 10 CJEE C=CCCCCCN[C@@H]1CCc2ccc(C)c(C)c21 2339622124 OJQDGXNDGORDOP-QGZVFWFLSA-N 257.421 4.627 30 10 CJEE C=CCCCCCCCCOCC(=O)CCC1CC1 2340905153 HVSMJDIFQAUBNQ-UHFFFAOYSA-N 266.425 4.679 30 10 CJEE C[C@H]1C[C@@](C#N)(Cc2ccccc2C2CC2)CCS1 2341743906 CZOVHFGPHQLGQQ-SUMWQHHRSA-N 271.429 4.532 30 10 CJEE C=C1C[C@@H]1[C@@H](CC1CC(C)(C)CC(C)(C)C1)NCC 2341887177 ZXZKXVVKBYUAHK-JKSUJKDBSA-N 263.469 4.783 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC(C)=C(C)C3)C[C@@H](C1)C2 2343479642 PGVZDFAAVBLYLJ-SOABOVLPSA-N 259.437 4.600 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)NC 2344347072 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4.668 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCCC1 70308041 LUNMBARZPGOZCJ-JTQLQIEISA-N 282.309 4.568 30 10 CJEE CCCCOc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1 77083692 FNKLGPZEFORCJG-UHFFFAOYSA-N 281.355 4.875 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccc(C)cc2)CC1 86914039 UGMNKRYHPROCIW-NVXWUHKLSA-N 256.393 4.660 30 10 CJEE CCc1ccc(CC2(C#N)CCC(CC)CC2)cc1 87933690 GKEHEIXWGJQEMO-UHFFFAOYSA-N 255.405 4.902 30 10 CJEE CC(C)c1ccc(C[C@@]2(C#N)CCc3ccccc32)cc1 87998140 RAHDOANWCARLJW-HXUWFJFHSA-N 275.395 4.760 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)C1CCCCCC1 89561067 PWWBXVOKOQFSOT-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCC1CCC(C#N)(C2(O)CCC(C(C)C)CC2)CC1 91878752 QPWXUOJPJHJEEM-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE N#CC1(C[C@@H]2Cc3ccccc3S2)CCCCCC1 92273590 NGYYALHUSIGHAT-HNNXBMFYSA-N 271.429 4.958 30 10 CJEE CCc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)s1 96551626 XZTBYEWGDCXGNS-UITAMQMPSA-N 276.788 4.860 30 10 CJEE SCCCCCCCCCOc1cncc(Cl)c1 97799840 LQIXQODJIURXOA-UHFFFAOYSA-N 287.856 4.774 30 10 CJEE CCCCCCCNC(=O)c1cc(Cl)ccc1Cl 104592021 HPSKQRNCOMSPGN-UHFFFAOYSA-N 288.218 4.694 30 10 CJEE CCCCCCCCCCNCc1ccc(OC)cc1 105837597 FVFWPTPCDRVRNT-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE C#CC[C@H](C)c1cc(OCCC)c(OCCC)cc1F 107489196 STZMMYRKHXVUOA-ZDUSSCGKSA-N 278.367 4.530 30 10 CJEE CCC#CC[C@H](C)c1cccc(Br)c1C 107511163 XXRPJMZLDRLAKA-NSHDSACASA-N 265.194 4.665 30 10 CJEE C#CC[C@@H](CC)c1cc(OCC)c(OCC)cc1Cl 107678451 GQZWINXNIGEIAN-GFCCVEGCSA-N 280.795 4.654 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cccc(Cl)c1 110261006 KROMSFPNBJGTHY-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCCCCCCC[C@H](NC)C(OC)OC 123538516 DFFRZEKBNCNNFT-INIZCTEOSA-N 287.488 4.504 30 10 CJEE CC1(C)CCC(Oc2ccc(C(F)(F)F)c(C#N)c2)CC1 125266407 IEODZTFNLNTKDL-UHFFFAOYSA-N 297.320 4.925 30 10 CJEE Cc1cc(Oc2c(F)cc(C#N)cc2F)cc(C)c1Cl 127474851 BUKQNBJDEAWAOE-UHFFFAOYSA-N 293.700 4.899 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ncccc1F 131182075 RBXMNLLGENBEDL-OAHLLOKOSA-N 267.388 4.785 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccnc1OC 135558354 IHDSDSYUHJIVNM-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(Cl)ccc1Cl 156862578 UMWVZAGACXNUPO-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@H](O)Cc1cccc(OC)c1F 158249379 LNYHSNCVTRZHFL-INIZCTEOSA-N 296.426 4.878 30 10 CJEE CCCCCCCC[C@H](O)C1(OCC)CCCCC1 162149954 FCCQIEAZQMPLPH-INIZCTEOSA-N 270.457 4.837 30 10 CJEE C[C@@H]1C[C@H]1c1ccc([C@@H](O)C2(C#N)CCC(C)(C)CC2)o1 218394378 UOAHBHYCSCBYAK-XJKCOSOUSA-N 287.403 4.547 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)cc2)C1 222249729 HEGVJNSKDZGJNX-XUJVJEKNSA-N 263.381 4.636 30 10 CJEE CCCCCCC[C@@H](CN)N1CCC[C@@H](CCC)CC1 226971295 CAKKPYKMWPDMQR-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE C=C(C)C[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 229738739 IPZONGNYIUNDQA-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE C=CCCCCCOc1ccc(C)cc1CNC(C)C 232720993 HHWWUCUOEYVQRD-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE CCCCCCCCNc1ccc(Cl)nc1C 232943934 SYYBSMATYYUVEY-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N 253624182 DBNXUNKVOUJWKG-GUDVDZBRSA-N 289.463 4.637 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)[C@H](C)CC 300525452 YNRPTMHHLYTPKQ-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCCC(F)(F)C1 302328429 INBIVMWEKRIEKF-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CC(C)(C#N)CCCCOc1cc(F)ccc1Cl 310719602 QDMBJVZFANFRTB-UHFFFAOYSA-N 269.747 4.578 30 10 CJEE CC(C)c1ccc([C@@]2(C)CCC[C@@H](CC#N)O2)cc1 312118479 SJXAIWNSWMTDPP-DLBZAZTESA-N 257.377 4.508 30 10 CJEE C[C@H]1CC([C@]2(C#N)CCCc3ccccc32)C[C@H](C)C1 312631826 IQURWMHHMQVMCB-SPYBWZPUSA-N 267.416 4.857 30 10 CJEE C[C@@H]1CC[C@H]([C@]2(C=O)CCCc3ccccc32)C[C@H]1C 316426359 LAVBQFANCQFTGR-IIHSZXCVSA-N 270.416 4.532 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCCC2(F)F)C1 316947009 HOIVPOFEVCRCPU-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317625002 VOHQFFMJONKDPB-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1 384762784 ATPWERXGYFOYNT-JOCBIADPSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccccc1C(F)(F)F 384861621 MZAPHOCLLMVJPP-RISCZKNCSA-N 267.294 4.578 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)CCC1CC1 385388893 BMMQTUUZYAYCCC-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(OC)s1 386009652 VCKNHKIOPWFPPQ-CYBMUJFWSA-N 270.438 4.931 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](C)CCOC 386253763 LMTXXWRBEQCDMD-CVEARBPZSA-N 257.462 4.517 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)C1CCC(CCC)CC1 387634965 VJFXRKBMFOVBGT-DAWZGUTISA-N 281.484 4.552 30 10 CJEE C=CC[C@H](CC)N[C@H](C)C12CC3CC(CC(C3)C1)C2 393809212 YWODINZJUZZNAB-JRHYKELJSA-N 261.453 4.536 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cc2ccccc2o1 398169190 KQCYMYFWOUWSFP-ZIAGYGMSSA-N 257.377 4.828 30 10 CJEE CCCCCCC[C@H](O)c1c(F)cc(C)cc1F 398475239 ALBJHLFGYBJIGY-AWEZNQCLSA-N 256.336 4.667 30 10 CJEE CCCCCCC[C@H](N)c1cccc2cnsc12 402848175 IVJRKZPLYWXOSD-AWEZNQCLSA-N 262.422 4.657 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](c1ccccc1)c1nccs1 540349447 PZSKJRZMKGJEFY-ZBFHGGJFSA-N 286.444 4.567 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)C1CCCC1 669675697 SOXPQAIEEVVHBN-CQSZACIVSA-N 271.404 4.570 30 10 CJEE C#CCCCCC[C@H](NCC)C1CCCCCCC1 686681118 JVPFFPYICTYLFC-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H]2CCCCC[C@H]2O)C1 688338188 ODMXKBQRVCMFLR-LSDHHAIUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)C1CNC1 702832698 BSGVCSDIKJCZCJ-WMZOPIPTSA-N 283.500 4.514 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@@H](CC)CC1 704039014 UEKBMALLYNCPMO-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2cc(C)ccc2Cl)C1 710743335 WTZIBFCADRZLMH-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE CCCCCCCCCNC[C@@H](C)[C@H]1CCCCO1 712054315 YHWCZEWNIIKTBK-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1CCC(C(F)(F)F)CC1 715704355 JHOGPIXRPORVSJ-URGYJCLVSA-N 291.401 4.936 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1c(F)cccc1Cl)NCCC 715721431 SKUZWTLEQHATBJ-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(Br)c1 715724657 KIELJDPXWCZDKU-IUODEOHRSA-N 296.252 4.702 30 10 CJEE CCCCCCCCC[C@H](CCOC1CC1)NCC 716876645 YWGQVCLTFLDAFZ-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=C1CCC(C[C@@H](CC(C2CC2)C2CC2)NCC)CC1 724561102 VTBVYNXSNSUEPB-SFHVURJKSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](NN)c2cccc3ccsc23)CC1 724582476 MBNFPMYLTNWRQS-INIZCTEOSA-N 286.444 4.542 30 10 CJEE N#CCc1ccc(OC(F)(F)F)c2scc(Cl)c12 725286682 MBIIQNGHIKQQFS-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=CC[C@H](N[C@@H](C)c1cc2c(s1)CCC2)c1ccncc1 766020573 QMVHBLWFCNOZNS-BBRMVZONSA-N 298.455 4.600 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](CC)c1c(C)nn(C)c1C 793531153 DCGIPRDDVPSIPM-YOEHRIQHSA-N 291.483 4.603 30 10 CJEE C=CCCc1ccccc1NC(=O)CCCc1ccsc1 800154718 WMRGLKDZMWAHLA-UHFFFAOYSA-N 299.439 4.828 30 10 CJEE C=C[C@@H](OC(=O)c1coc2ccccc12)c1ccccc1 1131134325 HNYJGPBQJBPJNM-MRXNPFEDSA-N 278.307 4.517 30 10 CJEE C=CCC1(C(=O)Nc2cccc(F)c2C(C)(F)F)CCC1 1132628157 IGVSNJAQIYZRSH-UHFFFAOYSA-N 297.320 4.622 30 10 CJEE C=CCN(C)Cc1c(Cl)cccc1Oc1ccccc1 1181043890 QUDNMWHVWOHKHZ-UHFFFAOYSA-N 287.790 4.750 30 10 CJEE C=CCCC1(CN[C@H]2C[C@H](OC)C2(CC)CC)CCCC1 1182865256 WFKJKQMYXTXFBJ-IRXDYDNUSA-N 293.495 4.696 30 10 CJEE C=CCCC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 1187014918 XLCAOGYLCHCOMR-UHFFFAOYSA-N 274.364 4.533 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](Cc1ccccc1)C(C)C 1207558089 VHCJORACSNKRMJ-HKUYNNGSSA-N 273.464 4.978 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(Cl)c1 1310101596 SAPLQGKCMDMGEQ-IUODEOHRSA-N 292.810 4.596 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 1435619961 HTUBTQYQRDOOTD-RBUKOAKNSA-N 297.442 4.947 30 10 CJEE C=CCCC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 1460096199 QMXHRQUAVYVLSZ-UHFFFAOYSA-N 287.309 4.537 30 10 CJEE CCCCCCCCCN1CCC[C@@H](OC(C)C)C1 1460337708 CMMAFVWCNPZRAW-QGZVFWFLSA-N 269.473 4.626 30 10 CJEE C=CCN(Cc1cc(C)c2ncccc2c1)c1ccccc1 1474453721 VRMAPNXDUHRLFC-UHFFFAOYSA-N 288.394 4.736 30 10 CJEE C=C1CCC(C(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 1522380890 XFBDGSSVGGUELP-ZDUSSCGKSA-N 299.439 4.825 30 10 CJEE C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1524475956 VCXUFRIQRYWBPV-QAPCUYQASA-N 287.447 4.775 30 10 CJEE C#CCCCCCC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1525031676 ZQWQVMXCXOOOIW-SJORKVTESA-N 291.479 4.539 30 10 CJEE C=CC1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 1525290388 SEHJTSYZAXKYLM-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CCN(CCc1ccccc1)Cc1cc(C)cc(C)c1 1559512958 BWFHGPDPPNKFKM-UHFFFAOYSA-N 279.427 4.534 30 10 CJEE C=CCCC[C@H](N[C@H]1CC[C@@H](C)SC1)c1ccccc1 1560572466 OBQLTRSKVGIGDE-NJAFHUGGSA-N 289.488 4.958 30 10 CJEE C=C(C)CN(C)Cc1ccccc1-c1ccccc1C 1560939968 XHRWNMANEOWAHY-UHFFFAOYSA-N 265.400 4.670 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1584289985 ZJNLUKWEFCIFIT-SJORKVTESA-N 291.479 4.868 30 10 CJEE Cc1ccc(C#Cc2ccc(F)c(C(F)(F)F)c2)cc1C 1614826551 AOJIBBKZLRCUDW-UHFFFAOYSA-N 292.275 4.861 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1sccc1C(F)F 1617466178 MCDOSUMENYALAW-JQWIXIFHSA-N 299.386 4.550 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cnc2ccc(C)cc2c1 1620414722 HSJNYFMAISHDLW-HKUYNNGSSA-N 294.442 4.768 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2csc(C(F)(F)F)c2)C1 1621025171 CXSKDKKCGKYDCW-JQWIXIFHSA-N 289.366 4.601 30 10 CJEE C#C[C@H]1CC[C@H](NC2CCC(C(C)(C)CC)CC2)CC1 1621054729 UCSSMAALXPYKIS-HFFNAHSWSA-N 275.480 4.763 30 10 CJEE C[C@@H](CCC#N)CN(C1CC1)[C@@H](C)c1ccccc1Cl 1621222699 BFRQANUJMHVQHG-KBPBESRZSA-N 290.838 4.805 30 10 CJEE C=C[C@@H](C(=O)N1CCC2(CCCCC2)CC1)c1ccccc1 1641008818 DPJYPYXERCKSPA-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H](C)c1ccc(F)cc1 1652654103 DVLOXBGOIUFSRX-OXJNMPFZSA-N 297.417 4.706 30 10 CJEE C#CC[C@H](NCc1c(C)cccc1Cl)c1ccccc1 1653964214 HSGRDTLKEZNPNS-SFHVURJKSA-N 283.802 4.503 30 10 CJEE C=CCNc1nnc(SCCCC2CCCCC2)s1 1656180334 WFNYKWILKDYNGS-UHFFFAOYSA-N 297.493 4.589 30 10 CJEE C#Cc1ccc(NCc2ccc(C)c(Cl)c2)c(Cl)c1 1657064267 HZUNSCGWQQHMAP-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCCCCN(C(C)C)[C@@H](C)c1ccsc1 1659056216 UMKFLMDEYWQXDP-AWEZNQCLSA-N 251.439 4.876 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1coc2ccccc12 1660014260 BAAOSSCOXJJHAK-SFHVURJKSA-N 291.394 4.710 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1C[C@H]1c1ccccc1 1660120538 ASYRMDFLMOSBOJ-NEWSRXKRSA-N 271.448 4.905 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(Cl)c(F)c1 1667314822 XPWONHNGVXDRMY-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE N#CCc1c(Cl)cncc1-c1cc(Cl)ccc1Cl 1848377899 CHLCLDQSBCTOBA-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCOc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 1874595893 AWKRWLYFMTYLAB-PKNBQFBNSA-N 280.367 4.598 30 10 CJEE C=CCN(Cc1ccccc1)CC1(CCC)CCC1 1881128179 HPLBOXUYGYMQBM-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE CCCCCCCCCN(C)[C@H]1C[C@@H]2CSC[C@@H]2C1 1883431659 GRXLNTLHLQDZGG-FVQHAEBGSA-N 283.525 4.810 30 10 CJEE C#CC[C@@H](COc1ccccc1[C@H](C)CC)C1CC1 1887073404 JSFBFVYVLJCNKC-ZBFHGGJFSA-N 256.389 4.628 30 10 CJEE C=C(c1ccccc1)[C@H](CC[C@@H]1C[C@@H]1C)NCCC 1888682864 SBSPRXJVIXTDKY-QGTPRVQTSA-N 257.421 4.504 30 10 CJEE C=C(CN(CCC)C1CCCCC1)c1ccccc1 1888731466 SKSQXWLLAKOQLC-UHFFFAOYSA-N 257.421 4.745 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 1903213667 IRWXTSGDMOYUPX-MADCSZMMSA-N 279.594 4.892 30 10 CJEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(C)c(C#N)c1 1909665431 NCOKATUTHVUYAO-RHSMWYFYSA-N 256.393 4.638 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CN=C2NC[C@@H](CC(C)(C)C)S2)C1 1911853180 OMPQJJNIQHJWAK-CBBWQLFWSA-N 296.524 4.556 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H]1CCC2(CCCCC2)C1 1916124665 ZXMQADIZEQHMDQ-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE C=CCC[C@H](O)c1ccc(-c2ccc(F)cc2)s1 1919681842 NWBTZBNJJHBZMM-ZDUSSCGKSA-N 262.349 4.554 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(F)cc(F)c1F 1919913015 MCJOZJRNDBLMDE-OAHLLOKOSA-N 274.326 4.672 30 10 CJEE CCCCCCC[C@@](C)(O)c1coc(C(F)(F)F)c1 1919914814 WGCKIYUDQLPWKQ-CYBMUJFWSA-N 278.314 4.866 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCCC)C1CCCC1 1920902740 BVBRPRWFIZDXPA-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC1CC(C)C1)NCC 1921151069 JWDCXACWUUOZBG-OPQOLIRYSA-N 283.500 4.512 30 10 CJEE C=C([C@H](N)[C@@H](c1ccccc1)[C@H](C)CC)[Si](C)(C)C 1922875509 QULRECLBNXCIGJ-XYPHTWIQSA-N 275.512 4.577 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(C)ccc2Cl)CC1 1925538579 YQRKTBRSNZRQKL-INIZCTEOSA-N 264.796 4.818 30 10 CJEE CCCCCCCCCC(=O)[C@](O)(CCC)C(F)(F)F 1925719527 LKYJKHNTQCQGSU-CQSZACIVSA-N 296.373 4.790 30 10 CJEE CCC[C@@H](CC)N=C1N[C@@H](CC2CCCCC2)CS1 1926688019 WJHBSZZQWHZYFJ-CABCVRRESA-N 282.497 4.597 30 10 CJEE C=CCCCOCc1ccc(Cl)cc1Br 1927961187 FGTOOHJABZJYAT-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE CCC[C@@H](C)CCNc1ccc(Br)cc1C#N 1942818590 JGEJQIIUFIBGBG-LLVKDONJSA-N 295.224 4.559 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnsc1C 1945473197 NDMGICLVQFNRDL-CQSZACIVSA-N 255.427 4.626 30 10 CJEE CC(C)(C#N)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 1951453753 IJXMZNBDJMALCL-GFCCVEGCSA-N 261.434 4.700 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 1964134421 RUQBVYRCILOTSU-JKSUJKDBSA-N 275.436 4.869 30 10 CJEE Cc1ccc(SCCCCCC2CC2)c(C#N)c1 1964749528 QSFNGKVINKDUMZ-UHFFFAOYSA-N 259.418 4.929 30 10 CJEE C[C@@H](C1CC1)N(CCC#N)Cc1ccc(Cl)cc1Cl 1969286046 XNPTWWQJWNYKDF-NSHDSACASA-N 297.229 4.508 30 10 CJEE 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4.891 30 10 CJEE C=C(C)CCCCNc1ccc(Br)cc1F 2244628311 DDXVJYPENBFXSX-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE C=C(C)CCCCN(C)Cc1cc(Cl)cs1 2244650927 PHRGDQPHQYSDHX-UHFFFAOYSA-N 257.830 4.580 30 10 CJEE Fc1ccccc1SCCCCCCCS 2245900648 HGJZOCXLEURYMF-UHFFFAOYSA-N 258.427 4.798 30 10 CJEE CCCC[C@H](CC)Oc1cc(Br)ccc1C#N 2249949448 QVECHVRROBJUCJ-ZDUSSCGKSA-N 296.208 4.668 30 10 CJEE C=C[C@H](C)CCN[C@H](CC)c1cccc(Cl)c1 2250900814 ATNZPEPIFCIKDE-SWLSCSKDSA-N 251.801 4.593 30 10 CJEE CC1(C)C[C@H](OCCCCCCCS)C1(C)C 2252619178 QQSSBQHNLKYBLP-ZDUSSCGKSA-N 258.471 4.708 30 10 CJEE CCCCCCCCC[S@](=N)(=O)CC1CC(C)C1 2256515180 WHQWERQQTZGVSF-JMLCCBQJSA-N 273.486 4.830 30 10 CJEE CO[C@H](CSC[C@@H](CS)C(C)C)C1CCCCC1 2256663913 WFYRKWIWTVCUBN-HUUCEWRRSA-N 290.538 4.517 30 10 CJEE CCCCCCCCCC[C@H](N)C1CC(SC)C1 2256721046 JBHVASXYVKIUEC-GPANFISMSA-N 271.514 4.986 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](S[C@H]2C[C@@H]3C[C@@H]3C2)C1 2257943909 CEOOLZUBMNCCCL-FWXGHANASA-N 263.450 4.627 30 10 CJEE 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30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1COC2(CCC2)C1 2284741042 ZNRKBIKKXFKITH-IRXDYDNUSA-N 280.452 4.613 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(OC)cc1 2287465922 CVXZXEAWCNITHU-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CCC[C@@](C=O)(CC)CN1CCCC(CC)(CC)CC1 2287681478 PACSCULOXQSZQM-SFHVURJKSA-N 281.484 4.674 30 10 CJEE CC(C)CCC[C@H](C)CCC(=O)c1cccc(C#N)c1 2287972084 KBPUDYQSHCELRD-HNNXBMFYSA-N 271.404 4.984 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1csc(C(C)C)n1 2289851012 BGOXRXASNKZGGE-HNNXBMFYSA-N 290.476 4.501 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1cccc(C(C)(C)C)c1 2290195059 QOEPRUQPPVHGLB-KRWDZBQOSA-N 273.464 4.717 30 10 CJEE CC1(C)CCC(C)(C)[C@@](N)(C#Cc2cccc(Cl)c2)C1 2290216256 LZBOVAGUZYWYBB-GOSISDBHSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@](C)(CC1CC1)OCC(=O)O 2290567474 VVCGZTLODQXODS-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC(CCC)(CCC)OCCC(=O)O 2291448689 XVTKUDDAVCPPGG-UHFFFAOYSA-N 284.440 4.953 30 10 CJEE C=CCCCCC1(OCC(=O)O)CC(CCCCC)C1 2292430182 VVASDQATOIRSOH-UHFFFAOYSA-N 282.424 4.563 30 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CC(C)(C)C#CC(=O)CCc1cc(Cl)cc(Cl)c1 2318639788 UFJORIBEOFNNKF-UHFFFAOYSA-N 283.198 4.545 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CC[C@H]2C(C)(C)C)CC1 2320141793 OLIOAGJTDJZSSL-OAGGEKHMSA-N 250.426 4.556 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C=O)CCCC1(C)C 2320286622 MXPVOFIGMGCLNZ-JJRVBVJISA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCCCC[C@@H]1C[C@H]1C 2321235618 YETBRRPVOXEAGA-VQHPVUNQSA-N 252.442 4.946 30 10 CJEE COCCCCCCSCC1(CS)CC(C)(C)C1 2321754560 FNZGKVZCNHACSO-UHFFFAOYSA-N 290.538 4.663 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)cc(O)cc1Cl 2326707596 YXWURTQUDCKPRC-CYBMUJFWSA-N 273.779 4.545 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CCC)NN 2332809218 GTKBYARYNKOCDV-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE C=CCCCCCCCCCN1CC[C@H]2C=C[C@@H]1C2 2333362452 ACCFHIPIMANDOH-QZTJIDSGSA-N 261.453 4.944 30 10 CJEE O=C[C@]1(C(CC2CC2)CC2CC2)CCCC12CCC2 2335214981 GKNOWTXIXBMIDD-SFHVURJKSA-N 260.421 4.742 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)c1c(F)ccc(C)c1Cl 2335581996 PLMKBQUOFKDJIQ-CABCVRRESA-N 283.774 4.541 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@](C)(CC)C(F)F 2336617278 BGNJVNJARIPCRZ-DZGCQCFKSA-N 278.431 4.640 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC1CC(C2CCCCC2)C1 2337107959 ZHZVNUBADWZXLZ-BFWZDYSYSA-N 261.453 4.680 30 10 CJEE CC(=CC[C@]1(C#N)CCO[C@@H](C)C1)CCCC(C)C 2338442194 HYSACHATZUVBCJ-IRXDYDNUSA-N 263.425 4.858 30 10 CJEE C=CCC(CC=C)[C@](C)(O)C1CCC(C(C)C)CC1 2338698211 DNRFORHFCQZCHI-VJFUWPCTSA-N 264.453 4.968 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(F)c(Cl)cc1F 2338737290 BXCKWLNWPPBLGO-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc(Cl)c(F)cc1F 2338737544 FHSOWFWQDXYWRZ-HNNXBMFYSA-N 285.765 4.647 30 10 CJEE C#CCCCCCCNCC[C@@H]1CCCCC12CC2 2338809170 BJDUMAXHRMGCGF-KRWDZBQOSA-N 261.453 4.520 30 10 CJEE C=CC[C@H]1CCCCN1Cc1ccc(F)c(C)c1Cl 2339123378 AOCVGYIKTRHOMP-AWEZNQCLSA-N 281.802 4.718 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@]1(C)CC=CCO1 2339714817 AGWYSYXXQCKZLK-DLBZAZTESA-N 268.441 4.613 30 10 CJEE COc1c(Cl)cc(C[C@]2(C#N)CC[C@@H](C)C2)cc1Cl 2339972299 UJZANNXNLWAQBB-BMIGLBTASA-N 298.213 4.874 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(F)c(C)c1C 2340826985 WBUYQJVNQZUPLI-AWEZNQCLSA-N 261.384 4.614 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(C)cc1SC 2342312147 CTHDIDITGAPHMH-QGZVFWFLSA-N 275.461 4.746 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2343173701 YHSVCVGJKNNYEJ-GWCFXTLKSA-N 280.774 4.587 30 10 CJEE CO[C@H](CSC[C@H](CS)C(C)(C)C)c1ccccc1 2343477204 AWBADHWANWGEKV-LSDHHAIUSA-N 298.517 4.699 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCCC(F)(F)C1)NCC 2344347005 XXPBUMALEBRSPV-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1csc(C(C)(C)F)n1 2344352949 RDVHTULSLOUMTP-DOMZBBRYSA-N 284.444 4.601 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccccc1Cl)NCC 2344374396 HWTSCRNBDPMMSV-IRXDYDNUSA-N 279.855 4.853 30 10 CJEE C=CC[C@H](C)[C@H](CC(C)(C)c1ccccc1)NCC 2344384260 VUQAGMBNFJUQHW-RDJZCZTQSA-N 259.437 4.545 30 10 CJEE CC(C)O[C@H]1CCC[C@@H]1C1(C#N)CCCCCCC1 2344875047 RPBOPPGWROYPGM-HOTGVXAUSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CC[C@@H]1O2 2353909923 WGVOFFVAFGKKPY-OWSLCNJRSA-N 281.484 4.673 30 10 CJEE C=CCOc1ccc(CNc2ccc(F)cc2Cl)cc1 20594750 MICXQVSYLDVNEI-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE CCC(C#N)(CC)CCCOc1ccc2c(c1)CCC2 57714590 YHIRILQDEXRQBB-UHFFFAOYSA-N 271.404 4.664 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 68594092 DQORIJGTVMUFEX-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE C[C@@H]1CCC[C@@H](CCNc2ccc(C#N)c(Cl)c2)C1 70539719 IFCKFFRJXKHMTQ-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc2ccccc2o1 71277535 AAECLVALTOHDCL-OAHLLOKOSA-N 257.377 4.830 30 10 CJEE CSc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1 83193133 YYVFPVATUMMDOV-VQHVLOKHSA-N 288.799 4.958 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2ccco2)c(C)c1Cl 83194242 XLJJGTVJFUXRAL-VOTSOKGWSA-N 274.747 4.754 30 10 CJEE COc1ccccc1CC1(C#N)CCC(C(C)(C)C)CC1 87971905 NSMCXBABXGMYNQ-UHFFFAOYSA-N 285.431 4.984 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CC)c2ccccc2)CC1 91878192 KMIMBSUTIIXAQI-NKELODKYSA-N 285.431 4.784 30 10 CJEE CC(C)c1ccc(OCCCCCCS)cc1 94582585 QOVNEQNXJRCGQU-UHFFFAOYSA-N 252.423 4.679 30 10 CJEE Clc1ccc(/C=N\Cc2ccccc2)c(Cl)c1 100356398 AFYVQIUGFLPWGU-YVLHZVERSA-N 264.155 4.613 30 10 CJEE CCCc1c(C#N)oc2c(C)cc(C(C)(C)C)cc12 104010241 ZQIJNZRWWBCVEE-UHFFFAOYSA-N 255.361 4.863 30 10 CJEE C=CCCc1cc(Cl)cc(C(C)C)c1OCC 107633007 KYKKBBYLBIOQBV-UHFFFAOYSA-N 252.785 4.981 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H]1CCCO1)NC 109724107 TWMRGBWRWKXPFU-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](Nc1ccc(Cl)cc1)C(=O)OC 110320606 IWTVTQYOKGPSRS-HNNXBMFYSA-N 297.826 4.654 30 10 CJEE CCCCCCCCCN1CCCc2ccc(N)cc21 110918182 UCTLMEMSMHTCGI-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CCCCCCCC(=O)Cc1ccc(F)cc1Cl 112884457 AZSRKVPXQKABPC-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)cc1Cl)NC 112899206 GQTDCMHMHTZNOQ-HNNXBMFYSA-N 285.834 4.970 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@H]1C(C)C 114071426 NBBJOPNMDBOLRU-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(F)cc1F 114783921 MUEIMXXCLNATKH-CQSZACIVSA-N 279.330 4.502 30 10 CJEE CCCCCCCCCCC1(O)CCN(C(C)C)CC1 115650260 DMGGHYOAWGETOW-UHFFFAOYSA-N 283.500 4.753 30 10 CJEE CC[C@](C#N)(Cc1ccccc1)Nc1cccc(Cl)c1 116390429 FIVSLFBCFVSGDK-QGZVFWFLSA-N 284.790 4.667 30 10 CJEE CCCCCCCC[C@@H](N)[C@](C)(CC)N(CC)CC 118156171 VBVSHYFBZMYMEX-SJORKVTESA-N 270.505 4.575 30 10 CJEE CC(C)c1ccccc1Oc1cc(C#N)cc(Cl)n1 122562531 MDCGILSEEKHUGT-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CCCCCCCCCc1noc(N)c1-c1cccnc1 127118469 PHVSSCJKIBHWNI-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE Cc1ccc(C(=O)/C=C/c2cnc(C3CCCC3)s2)o1 129985736 OCEDNNGEDSRILT-BQYQJAHWSA-N 287.384 4.598 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](OCC)C1CCCCC1 131118977 KWOGEWHKDHSCSS-MSOLQXFVSA-N 298.515 4.554 30 10 CJEE CCCCCCCOc1cccc(SCC)c1CN 136560932 RANYXPXUAGSYRX-UHFFFAOYSA-N 281.465 4.607 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCCC[C@@H]1O 146300731 PEECMCOIZVJRRQ-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CCOC2(CCCCC2)C1 148574706 NHZUASXUMCKIPG-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE C=C(C)C[C@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 156327882 CYEHPJCIWSCJPJ-CVEARBPZSA-N 251.458 4.641 30 10 CJEE CCc1ccc([C@@H](O)C2(C#N)CCCCCCC2)cc1 156804230 QKBNECJMHYNMKE-QGZVFWFLSA-N 271.404 4.537 30 10 CJEE CCCCCCCCNCc1ccn(C2CCCCC2)n1 159275436 QAEGMDRMBNFYSY-UHFFFAOYSA-N 291.483 4.838 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@@]1(C#N)CCC[C@H](C)C1 165725735 OAGVJUOGJLJAOC-HOTGVXAUSA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](OC)c1ccccc1 167956772 GBCMAANPSRBLCX-ZWKOTPCHSA-N 277.452 4.713 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](OCC)c1ccccc1 168161689 GDXYSQFBEZBMIK-MSOLQXFVSA-N 277.452 4.713 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(-c2ccncc2)ccc1C 185407492 KFCRYXHMHITLPG-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE CCCCC[C@@H](C#N)N(Cc1ccccc1)[Si](C)(C)C 207528400 FPLYEBDIUBYHLG-KRWDZBQOSA-N 288.511 4.796 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2cccc(Cl)c2Cl)CC1 228852837 UEDAZQNYNLNYKR-JTQLQIEISA-N 283.198 4.851 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(F)c(F)c1F 229753274 KVUPITKKKYIDJX-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CC(C)Oc1ccc(C(=O)C=C2CCCCC2)cc1 232681358 IXLGHBNAXPZUNC-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)CC(F)(F)F 232948166 VXNNSUMSMYUQGB-RYUDHWBXSA-N 253.352 4.666 30 10 CJEE CCC[C@H](C)[C@H](C#N)Sc1ccc(Br)cc1 233341468 GEPHJLCFVUMDQP-GWCFXTLKSA-N 298.249 4.870 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(Br)c1F 236218382 NWLIGAOWYAIAAJ-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1ccc(C(F)(F)F)cc1 251869791 UHCPUICGBXFHCX-LSDHHAIUSA-N 296.336 4.535 30 10 CJEE COc1ccc(C=Nc2ccccc2C)c2ccccc12 252460973 JOVMROXNVYZDQK-UHFFFAOYSA-N 275.351 4.907 30 10 CJEE Cc1ccc(N=Cc2cccc(Cl)c2Cl)c(O)c1 252461492 MVENOTGODKXLBJ-UHFFFAOYSA-N 280.154 4.758 30 10 CJEE CCCC[C@@H](C)c1nc2cc(C#N)ccc2n1CCC 312325456 AMSASYADDYYXQZ-CYBMUJFWSA-N 269.392 4.612 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc3ccccc3c2F)CC1 312333961 KSCGFLDAHXBPNM-LBPRGKRZSA-N 268.331 4.908 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CC1 312511343 LTHACEUUAVKYLK-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(Cl)c(Cl)c1 313492826 PFIWIKCOGQIUDK-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCCCO1 315561848 FPKRNTFDKDVAST-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC2CCC(C)(C)CC2)C1 316784487 NCDXNYJJCMTRDM-RHSMWYFYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)OC)CCC=CO1 317309327 BDUDHUOAVYHGAH-QGZVFWFLSA-N 282.424 4.753 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](N)[C@H]1C 381431727 CRIBGPGBCLEQCY-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE O=C(Cc1ccsc1Br)C1=CCCCCC1 389064042 SGZFRKPVQFWYAO-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CCC[C@H](NC[C@@H](C#N)C1CCCC1)c1cccs1 397167239 ZWJLXYKBSNSHHI-CABCVRRESA-N 276.449 4.509 30 10 CJEE CCCCCCCCCC[C@@]1(F)CC[C@H](C)NC1 399014681 COTRAYUNKRCRJI-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE CCCCCCCCCC(=O)CC(F)(F)C(F)F 400721948 LOGQHHBSYUUUJX-UHFFFAOYSA-N 270.310 4.987 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CC)CC(F)(F)F 402773862 LUFZGRWECDJYFQ-RYUDHWBXSA-N 254.336 4.686 30 10 CJEE N#CCc1cc(Cl)nc(-c2cc(Cl)ccc2Cl)c1 514262742 DFWSIDBHARNZSP-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC(C)(CC1(C=O)CCCCCC1)c1ccccc1 686732220 LBKBEYWLVWUWEB-UHFFFAOYSA-N 258.405 4.894 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C#N)C[C@H]2CC[C@H]1C2 691080720 WGNPAGPMCKKMEH-SGMGOOAPSA-N 255.352 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)C[C@H](C)CC 692254354 ODQVHVCEHZIIQD-VQHPVUNQSA-N 251.458 4.926 30 10 CJEE C=C(CNC1CCC(C2CCC2)CC1)c1ccccc1 695895884 XAKSFELIBGMCKP-UHFFFAOYSA-N 269.432 4.648 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H]1C1CC1 698982148 GCELFKVVRCAERX-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1C(C)(C)CCC1(C)C 699620193 GEQFATAGGMZAGW-GJZGRUSLSA-N 263.469 4.926 30 10 CJEE CCCCCCCCCCNC[C@H](C)C(F)(F)F 700154511 GQAHAGPDMGHNFJ-ZDUSSCGKSA-N 267.379 4.915 30 10 CJEE C=CC(C)(C)CCN[C@H](CC)c1ccc(CC)cc1 701871880 OBAOIXBLCWOUPF-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cc(F)c(Cl)cc21 701872222 QKRUDXSPXQVLAV-UHFFFAOYSA-N 298.814 4.720 30 10 CJEE SC[C@H](CN(C1CCCCC1)C1CCCCC1)C1CC1 701872812 LMQODZMCAVWOBQ-INIZCTEOSA-N 295.536 4.910 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1ccccc1OC 703996862 XGONVMAUGMWRBF-MRXNPFEDSA-N 275.436 4.728 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)[C@@]12CCCC[C@@H]1C2 709095027 GHJMTOBFHRJYJE-DAXOMENPSA-N 274.795 4.614 30 10 CJEE CC(C)(C)CCC/N=C1/NC2(CCCCCCC2)CS1 713284809 IYFKHSBSYPPJSO-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714396076 FJCQTXRDLJNYBS-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC[C@@H](COC1CCC1)NC 714866743 QIPGKPBRNHQMHZ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)C1(CNC)CCC(C(C)(C)C)CC1 715827838 HODFEEMOFJDUBF-UQPPLGOBSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCC[C@H](CC[C@H]1CO1)NC 718616683 RWCDWLUGIZBVEQ-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1C[C@@H](OC)C1)NC 721918156 YNZJXYYCSFOAQC-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](CC(C)(C)C2CC2)NCC)CC1 724615000 AVKCPPWHEMKVPF-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE N#CCOc1ccc(Cl)cc1CSc1cccs1 735232827 COGDTWHNIQISQK-UHFFFAOYSA-N 295.816 4.596 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1 883327206 UCPFTLNSVVWQDY-QFBILLFUSA-N 280.415 4.830 30 10 CJEE C=CCC[C@@H](Nc1ccc(CCC#N)cc1)c1ccco1 903294722 XCJLUGRKMRYRHF-QGZVFWFLSA-N 280.371 4.855 30 10 CJEE CCN(CC)c1ccc(N=Cc2ccc(C)cc2)cc1 1084343746 CNWDJIPYMXYJGU-UHFFFAOYSA-N 266.388 4.592 30 10 CJEE C=CCC[C@H](NC(=O)/C=C1\CC[C@H](C)C1)c1ccccc1 1127383579 FYALZEZCCDQEKM-CEZSJGHDSA-N 283.415 4.557 30 10 CJEE C=CCC1(NC(=O)CCCC(C)(C)C)CCCCC1 1128926815 WXQHKNVDFBSIJG-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(F)cc(Cl)c1 1129580476 MOLVAFRFCQIAQX-UHFFFAOYSA-N 297.801 4.736 30 10 CJEE C=C(C)CCN[C@H](c1ccc(Cl)cc1)C1CCC1 1168713076 TXZMCPWKQXSOOD-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cc(C)cnc1OCC 1182033267 PROPXUVCBHTUKT-OAHLLOKOSA-N 276.424 4.726 30 10 CJEE CCCCCCCCN(C)Cc1cnc(Cl)s1 1201804533 OJGOWSLNFJYVEP-UHFFFAOYSA-N 274.861 4.589 30 10 CJEE C#C[C@H](N[C@@H](C)CC1CCCC1)c1ccc(Cl)cc1F 1205755424 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CCCCCCCCC[C@@H](NC)c1nc(CCC)ns1 2163480685 ZGHFMNNISHGEIW-CQSZACIVSA-N 297.512 4.892 30 10 CJEE C#CCC[C@H](NCC)c1ccc(-c2ccc(F)cc2)s1 2164103627 AGMLRNVNDMBSLD-HNNXBMFYSA-N 287.403 4.618 30 10 CJEE C=C(Cl)C[C@H](NC)c1cccc(Oc2ccccc2)c1 2164132407 YBEKLYASNGJUJD-KRWDZBQOSA-N 287.790 4.882 30 10 CJEE C[C@H](C1CCCCC1)N(C)[C@@H](CC#N)c1ccccc1 2168422804 GSIIMSQBOYZVEP-QAPCUYQASA-N 270.420 4.542 30 10 CJEE CCCCCCCCCC(=O)[C@]1(O)CCC[C@@H]2CC[C@H]21 2172392671 OXDDGOCMFHECLE-NUJGCVRESA-N 280.452 4.637 30 10 CJEE CCC#CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC(C)C 2174094703 AWKAPXDOCFZAMP-OTWHNJEPSA-N 277.496 4.724 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1Cl 2176484248 WSVKQPBZGBXCGW-CABCVRRESA-N 290.838 4.720 30 10 CJEE O[C@@H](CC#CC1CCCCC1)c1cc(Cl)c(F)cc1F 2179377759 YNYKQLURHARCJB-INIZCTEOSA-N 298.760 4.625 30 10 CJEE CCCCCC1CC(N[C@@H](C)c2ccc(C#N)cc2)C1 2179960221 ORPIUJOFXYJYCE-NXVRBGIVSA-N 270.420 4.568 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C1=CC[C@@H](C)CC1 2181259147 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CCCCCCCCCN1CCC(CCOCC)CC1 2195534739 FQKUVACMGRCJJG-UHFFFAOYSA-N 283.500 4.876 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1CC(C)(C)CO1 2195674017 LWXRWGDVVXUUAL-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)N(C)C1=O 2195921825 HCSGAISQKBGBJZ-INIZCTEOSA-N 282.472 4.663 30 10 CJEE CCCCCCCCCCCCN1C[C@@H]2CC[C@@H]2C1=O 2195926607 WTFBQSLKBCNWRH-IRXDYDNUSA-N 279.468 4.776 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)[C@H]1CC=CCC1 2196079788 HSJVOUPLAOTGCJ-WMZOPIPTSA-N 279.468 4.770 30 10 CJEE CCCCCCCN(C)c1cccc(NC(C)(C)C)n1 2196713245 OFHAWABDUFDWRN-UHFFFAOYSA-N 277.456 4.699 30 10 CJEE CCN[C@@H]1[C@@H](CC#CC2CCCCC2)CCCC1(C)C 2197036195 UJKRBIMNBQGNBP-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@H](CCCCCCCCC)NN 2197148779 QAYSMXNVQPTZIU-SFHVURJKSA-N 274.452 4.672 30 10 CJEE Cc1ccc(N)cc1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2199366521 GFZBHHRNMYQTPS-CQSZACIVSA-N 271.404 4.533 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc2c(c1)CCCC2 2203779622 TZGBCONNWBSAHZ-IBGZPJMESA-N 270.416 4.573 30 10 CJEE CCCCC#CCC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 2203876507 HTASGNHBATUTCG-QFBILLFUSA-N 270.416 4.969 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(O)CC(C)(C)C1(C)C 2204950638 OIMMZXIGJWJPSS-MAUKXSAKSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCCC(=O)C1(O)CC(C(C)C)C1 2207380252 XCWZAFMJDPJDPQ-UHFFFAOYSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CNCC(C)(C)C 2207401113 AICYZBOCVVQXKK-QGZVFWFLSA-N 283.500 4.680 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1C[C@H]2CC[C@H]1C2 2207433704 AASDTTNTEUJZAI-XLAORIBOSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@H](O)C(C)(C)[C@H](N)C(C)C 2207439752 WANDIDFLUWFFMJ-DLBZAZTESA-N 283.500 4.664 30 10 CJEE C=CCCCCCCCCCN(CCCN)CC(C)C 2207440228 YHQFMKLBLGFJMU-UHFFFAOYSA-N 282.516 4.600 30 10 CJEE C=CCCCCCCCCNC(C)(C)[C@H]1CCCCO1 2207440834 ZBJZWRWOHDUNIF-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@@H](O)C1(CN)CCC(C)(C)CC1 2207453133 KEEBYLVZOGCDLY-MRXNPFEDSA-N 283.500 4.643 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@H](P(C)(C)=O)C1 2208738184 AJUIABXGIRFUSM-HOTGVXAUSA-N 285.412 4.646 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1ccsc1 2214623988 QIQMAWRSBVUBEO-OAHLLOKOSA-N 252.423 4.872 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218342350 AUEQSUGCHCWOQJ-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE C=C[C@H](C)C[C@@H](CCCCCCC1CC1)NCC 2218720705 LORLFAHMBWMPHC-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCC1(Nc2cc(Cl)c(N)cc2Cl)CCCC1 2218840796 VOLWEGGUGREYBX-UHFFFAOYSA-N 285.218 4.876 30 10 CJEE N#Cc1cc(F)c(SCCCCC2CC2)c(F)c1 2220016564 PWNZUKXXGDSSNU-UHFFFAOYSA-N 267.344 4.509 30 10 CJEE CCCCCCCCCCOCC(=O)C(C)(C)C 2223244127 ZHIWDHIGFYXTMJ-UHFFFAOYSA-N 256.430 4.759 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1CC[C@H](F)C1 2223832733 WPPWRKIBBQDWKN-PMPSAXMXSA-N 257.437 4.983 30 10 CJEE CCCCCCCC(=O)c1cc(F)ccc1COC 2225584600 ZDNVDQSNIHMTGP-UHFFFAOYSA-N 266.356 4.515 30 10 CJEE C#C[C@@H](Nc1cc(Cl)c(N)cc1Cl)C1CCCCC1 2225906115 WOPQAJQQVXKXJW-CQSZACIVSA-N 297.229 4.570 30 10 CJEE COc1cc(Oc2cc(Cl)cc(Cl)c2)ccc1C#N 2225967469 XNWDJRHYWIVEPO-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE CCCCCCCCN(C)c1cc(C(=O)O)sc1C 2226509867 RYOBBCSOLZAXCC-UHFFFAOYSA-N 283.437 4.551 30 10 CJEE C=CCCCCCCC[C@]1(O)CCO[C@@H](CCC)C1 2227271017 IINKDNGJDCCUTL-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@@H](N)c1csc(C2CC2)n1 2227271906 MQMZHRVZGBKWAF-CQSZACIVSA-N 278.465 4.937 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H](CC)CCCC 2227273291 QOXQCMZLXFIQJO-IAGOWNOFSA-N 268.489 4.951 30 10 CJEE C=CCCCCCCC[C@@H](O)c1coc(C(C)C)n1 2227276038 ZYNSRLNMDKSXFG-OAHLLOKOSA-N 265.397 4.748 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1ccccc1C 2227517800 MUGKRZOQTKUZCF-IBGZPJMESA-N 279.449 4.927 30 10 CJEE CCCCCCCCCO[C@H](C)CCNC1CCC1 2230996951 YKPSYDGUGHEIAP-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCN=c1ccc(F)c(C)[nH]1 2231032758 KNGDZSHOFLKMPI-UHFFFAOYSA-N 266.404 4.504 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccncc1CC 2231898095 CHBMWAJGIYEWJQ-QGZVFWFLSA-N 263.425 4.602 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCOC(C)(C)C1 2231929266 OSNDEXPOYGLPBU-HOTGVXAUSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@H]1CCCOC1 2231944964 ARXIFOKCZNHVFJ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=CCCCCCCC[C@@H]1C[C@@H](NCCC)C[C@@H]1OC 2235519314 OMBPKOIRDZUBHV-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](CCc1ccccn1)NC 2235524545 RCKNAUIEDFRCTN-KRWDZBQOSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCC[C@]1(CNC)C[C@H](OC)C1(C)C 2235526954 QCDBQPVRLVPVFL-FUHWJXTLSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCC[C@]1(CNC)CCCOC1(C)C 2235532516 LGACGXCIEQOXLX-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cnc2sccn12 2235534951 KVTJDNKVRXETEO-MRXNPFEDSA-N 292.448 4.520 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2235537844 FIYPOMWKAFHYEA-VUQDICHWSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@H](NC)c1ncccc1C1CC1 2237125240 KGZZSGNGJIDJOY-KRWDZBQOSA-N 274.452 4.970 30 10 CJEE CCCCCCCCCOc1ccc([C@H](O)CC)nc1 2239446449 NXLXFHZVSQVWJD-QGZVFWFLSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCCOCCNCc1ccco1 2239486131 CPKDWLYHJPJHOW-UHFFFAOYSA-N 281.440 4.527 30 10 CJEE CCCC1([C@H](C#Cc2ccc(Cl)cc2)NCC)CCC1 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2259231158 FLDZOZIQFFIUMY-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1csc(Cl)c1 2261011603 HQGKJWJHHDPYES-AWEZNQCLSA-N 281.852 4.636 30 10 CJEE CCCCCCC[S@](=N)(=O)C[C@H]1CCCCC1(F)F 2267918589 YMJWGCGXKSHUEE-YJYMSZOUSA-N 295.439 4.829 30 10 CJEE CCCCCCCCOc1cc(C)cc(F)c1C=O 2268217732 GUQMOADTQIFDPH-UHFFFAOYSA-N 266.356 4.686 30 10 CJEE CCCC1([C@@H](CC=CC#CC(C)(C)C)NC)CCC1 2268755403 SKHGHASDQLEJOF-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE CC[C@](C)(CCCC(C)C)OCc1csc(C#N)n1 2271171092 SJJAVEIGBBZOPF-OAHLLOKOSA-N 280.437 4.526 30 10 CJEE C=CCCCCCCCSCc1cc(C)cc(N)n1 2271589269 FNSDWBCAGBQTIZ-UHFFFAOYSA-N 278.465 4.732 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)C[C@H]2CC[C@H]1C2 2271748264 STDSZTIGFAXLSH-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE C=C(C)CCCCN(C)[C@@H]1CCCC[C@H]1C(F)(F)F 2271751595 YPDFUDYOJWFEAG-ZIAGYGMSSA-N 277.374 4.786 30 10 CJEE C=C(C)CCCCN1CCCC[C@H]1c1ncc(C)s1 2271759358 UFUCHINHPARUST-HNNXBMFYSA-N 278.465 4.725 30 10 CJEE C=CCCCCCCC1(C(=O)O)CC2(CC(C)C2)C1 2272242867 OBKSWWGKVKMGCJ-UHFFFAOYSA-N 264.409 4.794 30 10 CJEE N#CC1(C[C@@]23CCCC[C@@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2273403944 FRYSRDAFKFQLGP-BJCAYOAGSA-N 275.461 4.915 30 10 CJEE N#Cc1ccc(OC[C@]23CCCC[C@H]2CC3)c(Cl)c1 2273487036 SAGYNVPEFOVOFG-XJKSGUPXSA-N 275.779 4.561 30 10 CJEE CN(CC#CC1CCCC1)Cc1cc2sccc2s1 2274131466 PMIAYZHPQZCUHO-UHFFFAOYSA-N 289.469 4.588 30 10 CJEE C=CCCCCCC[C@@](C)(CCCC)OCC(=O)O 2275224000 WKBLUKMKENGEHZ-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=C(C)CC[C@](C)(CCCCCCCC)OCCN 2276207086 HUXAOCFCKDMRPY-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C1CCC(NCc2sc(C(F)(F)F)cc2C)CC1 2277877928 SCVHMVNSBFLURQ-UHFFFAOYSA-N 289.366 4.664 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H](C2CCC2)O1 2278128348 XMXKQCYPZOFQJL-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCC1(CC)CSC(=NCC[C@H]2CCCCC23CC3)N1 2279725246 FVEOLEWUTBXVAV-CQSZACIVSA-N 294.508 4.598 30 10 CJEE CC1(C)CC[C@@](C#N)(CC[C@H]2CCCCC23CC3)C1=O 2279737169 NQZWEGSOMWVVIH-RDTXWAMCSA-N 273.420 4.636 30 10 CJEE Cc1cc(C#N)cc(NCC[C@@H]2CCCCC23CC3)c1 2279747218 ORJZIWMAEBHKSG-INIZCTEOSA-N 268.404 4.639 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc3cccnc3s2)C1 2280200171 REIOAPAJXIYPAH-OAHLLOKOSA-N 286.444 4.693 30 10 CJEE C[C@H]1C[C@@H]1CCCCOc1c(C#N)oc2ccccc12 2280426490 PDWUJALYYDYGOM-STQMWFEESA-N 269.344 4.510 30 10 CJEE CCCCCCCCCC[C@]1(O)CCNC[C@@H]1C(C)C 2282791662 INXOETNLOOGATQ-MSOLQXFVSA-N 283.500 4.514 30 10 CJEE CC#CCCC[C@H](NCCC)c1c(F)cc(C)cc1F 2283507875 VDRKQZBNXIPUQF-INIZCTEOSA-N 279.374 4.508 30 10 CJEE C=CC[C@@H](CNC1CCC1)Cc1ccc(CCC)cc1 2283536032 AJHVCLIZJFWGJL-GOSISDBHSA-N 271.448 4.516 30 10 CJEE Cc1cc(C)c([C@H](O)CC=CC#CC(C)(C)C)cc1C 2284075475 FXQSNRLDBNATHD-GOSISDBHSA-N 270.416 4.641 30 10 CJEE CCN[C@@H]1C[C@H](C)C[C@H](C)[C@H]1CC=CC#CC(C)(C)C 2284089508 QBWJJIZISYUJJE-XMTFNYHQSA-N 275.480 4.643 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CC(C2CCCCC2)C1 2284096764 SWQQVTVADKUPIN-UHFFFAOYSA-N 273.464 4.670 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)c(C)c1 2284098549 ILWTVJGNHRGAAS-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CC1(C)CCCC1 2284175490 KFHRKCISFZYFBW-QGZVFWFLSA-N 275.480 4.931 30 10 CJEE CCCCCCC[C@@H](C[C@H]1COC2(CCC2)C1)NCC 2284818527 PKIVEYVFYUPUGE-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=CCCCCCCCSc1cc(C)cc(C(=O)O)n1 2287092949 ZDPKWIIVSVVITM-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CCc2ccccc21 2287415363 UWMMQZVCYZQTDA-RTBURBONSA-N 271.448 4.831 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCCCOC)C1 2287553127 XJKMKZZJYDISAI-OAGGEKHMSA-N 297.508 4.891 30 10 CJEE CC(C)N[C@]1(C#N)CCCC[C@@H]1CCS[C@H](C)C(C)C 2288861166 RZUBGWHEUAEMNX-ZACQAIPSSA-N 296.524 4.605 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Cl)cc1C 2289715621 CKRMAXPIOFNTDN-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1sc(C)c(C)c1C 2289855446 SFJLUABCMUVTNY-KRWDZBQOSA-N 289.488 4.908 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C[C@@H]1CCCCC12CC2 2289873429 DBKMKMDQEYIURO-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](CC#CC2CCCC2)NC)CC1 2289898594 GBQPOXHOILFTKK-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE CC#CCCCCC(=O)Cc1cccc(C(C)(C)C)c1 2290205418 LWLKUTYWPJNXMM-UHFFFAOYSA-N 270.416 4.679 30 10 CJEE C=CCCCCCC1(OCCC(=O)O)CCC(C)CC1 2291441579 SFWBLKYCBHVQON-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC1(OCCCN)CCCCC1 2292648760 AXCHBTZBMFAOEE-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCCC1(OCCN)CC2(CCCCC2)C1 2292900052 UPUHQOYXLPCOPO-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1cc(C)sc1C 2294016503 WWQZDHIQDMAFAX-KRWDZBQOSA-N 295.492 4.908 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccc(Cl)c(F)c2)NC)CC1 2295157751 CHKVBYPVGMAHJF-HNNXBMFYSA-N 295.829 4.746 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCCN1CC 2295680500 ZIZMGDVDRDTFTA-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CC1CCC(CSCC2(C#N)CCCC2)CC1 2299022775 HCCBYUPLPNIEOH-UHFFFAOYSA-N 251.439 4.630 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC(C(C)C)C1)NC 2321137803 NCNOOHJUHUNIKF-GQGLESIBSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc2sccc2c1 2321146260 XCFGTWYGYNSLSC-CVEARBPZSA-N 259.418 4.894 30 10 CJEE CC1(C)CC(CS)(COCC2(C)CCCCC2)C1 2321752301 KBOZJTIQPMWRGG-UHFFFAOYSA-N 270.482 4.710 30 10 CJEE CC(C)(C)OCCCC1(C=O)CCCCCCC1 2322037555 WLMDGWNBRCWLLV-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(F)cc1SC 2328514643 ZSXFBVYSDUOJOP-CQSZACIVSA-N 267.413 4.684 30 10 CJEE N#C[C@@]1([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2329750105 XHJVHINCDUEKBW-GUIRCDHDSA-N 265.347 4.532 30 10 CJEE CCC(=NOCc1ccc(Cl)cc1F)c1ccccc1 2330246231 UUSGWALXNWKPHL-UHFFFAOYSA-N 291.753 4.810 30 10 CJEE C=CCC(CC=C)Sc1c(F)cccc1[C@@H](C)NC 2335231701 KSOXQCJGQLAMQD-GFCCVEGCSA-N 279.424 4.719 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2337096068 BYHXTGRHFDTOTR-YGRLFVJLSA-N 278.758 4.507 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCC1CC(CC(C)(C)C)C1 2337159999 NILJXHZEOQWQRW-GQGLESIBSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)[C@H](Cc1cc(Cl)ccc1Cl)NC 2338734951 HCJMBYKPJHPSJS-INIZCTEOSA-N 298.257 4.892 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CC2(CCCC2)C1 2338749252 IDECCMBHMMRBGN-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE CCCCCC#CCC(=O)c1ccc(F)c(C)c1Cl 2338773448 NOIUXDDOPPZHLP-UHFFFAOYSA-N 280.770 4.944 30 10 CJEE C#Cc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2339904482 HIZBDNKOUDTGHT-YXJHDRRASA-N 255.405 4.541 30 10 CJEE C[C@@H]1CC[C@@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2342347830 GZFVKPPYEQWZEU-MNOVXSKESA-N 286.284 4.750 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1cccc(C2CCC2)c1 2343780470 FOVZIWPIEOJYJC-QZTJIDSGSA-N 255.405 4.571 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2344337968 VVWKHGQHKPBZJR-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc2cccc(F)c2o1 2344338182 XGXFSBBSMSGFLM-JKSUJKDBSA-N 261.340 4.564 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ncc(C(C)(F)F)s1 2344339970 NLTFCNYOHFKLHX-NSHDSACASA-N 288.407 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1C[C@@H]1C1CC1)NCC 2344383940 JZBBCVXVKSMDFI-MHORFTMASA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCCC[C@H]1C(F)(F)F 2344420243 MAUYTZAYLGLEKT-NWDGAFQWSA-N 276.342 4.917 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1c(F)ccc(CC)c1F 2344463161 CYJCFUQFIYBMRE-JKSUJKDBSA-N 268.347 4.553 30 10 CJEE C=CCCCCCCCSC[C@H](N)[C@@]12CCC[C@@H]1C2 2353191435 GNTXWOAADQQYKJ-IXDOHACOSA-N 281.509 4.764 30 10 CJEE CSc1cc(Oc2cc(C)ccc2F)ccc1C#N 2353836355 YZVFORGUXMUBPP-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCC1CC(N(C)C[C@@H](CS)CC(C)C)C1 2353842965 LVRUIFOQYDRONJ-CGZBRXJRSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1C[C@H]1COC 2357003372 WCMJHBVBIACZCQ-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC[C@@H]1C[C@@H]1CC)NC 2358718542 SARBLRXGWRVHHD-BSDSXHPESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2OC 2358948708 ZQXBLYLGNMZPEE-TXTZMMAHSA-N 281.484 4.529 30 10 CJEE CC(C)c1ccccc1/N=C1\NC[C@H](c2ccccc2)S1 35082581 IXYMWMQQGGUVHH-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE COc1cccc(N[C@@H](C#N)c2csc3ccccc23)c1 54464739 JSJTUCLNWONZKL-INIZCTEOSA-N 294.379 4.587 30 10 CJEE CC(C)c1ccc(CN[C@H](CC#N)c2ccccc2)cc1 55018722 KBTOPAQPNOCWPI-LJQANCHMSA-N 278.399 4.555 30 10 CJEE CCCCCCCCNc1ccccc1COCC 59487480 MRNRIKLFPVGWQW-UHFFFAOYSA-N 263.425 4.996 30 10 CJEE Cc1cccc(/C=N/c2ccc(C)c(Br)c2)c1 59513756 FBDBPSHAJXJFQO-LICLKQGHSA-N 288.188 4.817 30 10 CJEE C=CCc1cc(C=O)cc(C(C)(C)C)c1OCCCC 66117773 ICNWYXCWCJXXRY-UHFFFAOYSA-N 274.404 4.704 30 10 CJEE Cc1ccc(C)c(Sc2cccc(Cl)c2C#N)c1 70138434 OFSPVVHLAQPVQC-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE C=CCSCC(=O)NC1CCCCCCCCCCC1 71541805 GADGRJSTUYGHFM-UHFFFAOYSA-N 297.508 4.695 30 10 CJEE Cc1ccc(NC2CC(C#N)(c3ccccc3)C2)c(Cl)c1 86036580 HLZPAFNFDKPNMD-UHFFFAOYSA-N 296.801 4.684 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2cccc(Cl)c2)C1 91877706 RICNMLFXPJIQSD-KBRIMQKVSA-N 291.822 4.658 30 10 CJEE CC(C)c1ccc(OCC[C@H](C)CCS)cc1 94582582 BZMGTAXBAVSUPI-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE CCCCCCCCO[C@H](c1ccccc1F)[C@H](N)CC 109989062 RXVYJKNXEORXQZ-QZTJIDSGSA-N 295.442 4.981 30 10 CJEE CCCCCCC[C@](C)(CN)N(CC)Cc1cccs1 110018680 BMYYVTQCSZMQKC-QGZVFWFLSA-N 296.524 4.648 30 10 CJEE CCCCCCCCOCc1ccc(NCCC)nc1 110100144 LILHJEINPWCTKN-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccccn1)NCC 112891710 CNFUFCPLICVZCA-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCCCCCCN1C[C@@H](C(C)C)NCC12CCCCC2 115225452 JFHQQUGSHSZVBP-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCn1c(S)nc2ccc(C#N)cc21 125086356 UVBILRBVMYHTKU-UHFFFAOYSA-N 287.432 4.557 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](CC)OCC 125108018 BMTDSYFZMJXFRN-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C(F)(F)F 126108080 AELGPBMTCTWIOL-CYBMUJFWSA-N 282.394 4.692 30 10 CJEE CCCCCCCCCC(=O)C[C@H](N)CC(C)(C)C 127266980 CXFNVQGUHCEVGD-HNNXBMFYSA-N 269.473 4.850 30 10 CJEE CCCc1ccc(Oc2cc(C#N)ccc2C(C)=O)cc1 131365755 IDRBFZGTLNBWFC-UHFFFAOYSA-N 279.339 4.506 30 10 CJEE C=CCCCN(C)c1ccccc1[C@@H](CC)NCCC 135983602 NRQYUKJVFHBWKU-QGZVFWFLSA-N 274.452 4.540 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](C)CC[C@@H]1CNCC(C)C 156005840 LSJNDHMBICVGDB-BBWFWOEESA-N 251.458 4.641 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)cs2)CCCCCCC1 159011958 CUWKWUUWNMQJQZ-CYBMUJFWSA-N 283.824 4.689 30 10 CJEE C=C(CC)COc1c(Cl)cccc1CNC(C)(C)C 159323649 PTWMRLIXLMMGMR-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cccc(Cl)c2F)CC1 167059733 GPXUANQEVNDLTL-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](OC)C1CCCCC1 167298157 XPAKMNQLULOFLU-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC(C)C)CC(C)C)C1 222791467 MWEOBVWYRDAUPC-KURKYZTESA-N 278.484 4.709 30 10 CJEE C=C(C)CC[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229346010 ZDCOWANTGHZKNU-HZOPKGLOSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1ncc(C)o1 231739053 SACHJYJGAZAHPE-HNNXBMFYSA-N 266.429 4.774 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2c(F)cccc2Cl)CCCCC1 232827570 OEIFXCIWXCOQPZ-NSHDSACASA-N 293.769 4.626 30 10 CJEE CCCCCCC[C@@H]1C(=O)Nc2c(Cl)cccc21 232928405 CFJNIOLCNSIQTN-LBPRGKRZSA-N 265.784 4.736 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](OCC)C(C)(C)C 233163696 AUTGFBDBSITQSU-IAGOWNOFSA-N 283.500 4.942 30 10 CJEE C=C(C)CC[C@@H](NCC)c1scc(C)c1Cl 233615982 SHSNTEMTISBDRY-LLVKDONJSA-N 257.830 4.717 30 10 CJEE C=CCCCCC[C@H](NC)C1(OCC)CCCCCC1 233707383 LSRSPAIZRHNSRW-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE N#CC[C@H](c1cccc(Cl)c1Br)C1CC1 260347317 OWQRCDLCFDNBRZ-VIFPVBQESA-N 284.584 4.510 30 10 CJEE CCCCCCCCC(=O)c1ccc(OC)s1 310145608 LIZZWFOOTJCJEU-UHFFFAOYSA-N 254.395 4.690 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc(Cl)sc1Cl 312586693 RJZDTEYAJABAOI-SNVBAGLBSA-N 283.183 4.732 30 10 CJEE CC1CCC(C=O)(C[C@H]2CCCCC2(F)F)CC1 317412998 MWEBEZHXZBMBND-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE CC[C@@](C)(C#N)Cc1cc(Cl)ccc1Br 379873101 RLEQEUBEOGWMQR-GFCCVEGCSA-N 286.600 4.585 30 10 CJEE C=CCC(C)(C)CNCc1c(Cl)oc2ccccc12 381685577 CEGQBVMEQCPJLS-UHFFFAOYSA-N 277.795 4.778 30 10 CJEE C=C(COCCC)[C@H](NCC)c1cc2ccccc2s1 387457836 OWOGPLSJWQKCHQ-KRWDZBQOSA-N 289.444 4.535 30 10 CJEE C=CCC[C@@H](C)Nc1cc(C)c(Br)cc1F 393838181 RCYBQGGRAADIAA-SNVBAGLBSA-N 286.188 4.663 30 10 CJEE CC(C)c1cccc(N=C2N[C@H](C(C)(C)C)CS2)c1 393994888 AYDLARWLWKCPGK-AWEZNQCLSA-N 276.449 4.549 30 10 CJEE N#C[C@H](CNc1cc(Cl)cc(Cl)c1)C1CCCC1 397366509 PIDZHOGEIUATHV-LLVKDONJSA-N 283.202 4.735 30 10 CJEE CCCCCCCCCN1CCC(CCC(N)=S)CC1 399354137 NLUOPQVQIGRZQN-UHFFFAOYSA-N 298.540 4.515 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(F)cc1C(F)(F)F 400276696 OZCFZCNVGKSTKC-UHFFFAOYSA-N 283.199 4.522 30 10 CJEE C[C@@]1(c2c(Cl)cccc2Cl)CC[C@](C)(CC#N)O1 400821692 QHJJPHPCVUPLJS-KGLIPLIRSA-N 284.186 4.691 30 10 CJEE C[C@@](C=O)(Cc1cccc(Cl)c1Cl)c1ccccc1 405707921 QRIRHXYHDHMHHA-INIZCTEOSA-N 293.193 4.693 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(-c2ccccc2)cnc1C 466260721 WUBLRCGRPLEMNP-AWEZNQCLSA-N 294.398 4.598 30 10 CJEE C=CCC[C@@H](N)c1cc2ccccc2c2ccccc12 575281492 KJFMHFBYGSLHGE-LJQANCHMSA-N 261.368 4.959 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](C)CCCC 686687373 OHQNWXRHRMHSFJ-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCCCCCCCCOCCC1(N)CCCCC1 686914086 NLLBPBCCKRCJNV-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C=CCC[C@@H](N)[C@H](O)CCCCCCCCCCCC 695503511 LCKAPDWADDZDIX-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE CC1(C)CCN(C[C@@H](CS)C(C)(C)C)CC(C)(C)C1 699666007 QIZBYEDSMRQAIQ-AWEZNQCLSA-N 285.541 4.727 30 10 CJEE C#C[C@@H](N[C@H](C)c1cc(Cl)sc1Cl)C(C)(C)C 702239762 HAFZETNFQDDSJC-PSASIEDQSA-N 290.259 4.753 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2ccncc2c1 702712908 ZSVNKYHVBOYVCQ-SFHVURJKSA-N 270.420 4.985 30 10 CJEE CCC(=CC(=O)c1csc(C(F)(F)F)c1)CC 703201587 XCNDYCNRXHBBOC-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE C=CC[C@@H]1CCCCN(c2cccc(Cl)c2[C@@H](C)O)C1 703688691 PRLUOBMDQURYOO-ZIAGYGMSSA-N 293.838 4.576 30 10 CJEE CCCCCCCCCCNCC[C@@H]1CCSC1 704814041 SVHIIVBPGMSIIY-MRXNPFEDSA-N 271.514 4.860 30 10 CJEE C=CC[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712601859 UBKRUGPACUNRSQ-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE CC(C)C1CCC(C=O)(CC[C@@H]2C[C@H]2C2CC2)CC1 714949913 ZUNJBIKVQQYTIY-MKFDVMFOSA-N 262.437 4.844 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@H](C2CCCC2)CCS1 725104421 JQAMPICOBFOCPS-HNNXBMFYSA-N 296.524 4.700 30 10 CJEE Cc1ccccc1NN=Cc1cccc(Cl)c1Cl 1084600599 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C=C1CCC(C[C@@H](CC2(F)CCC2)NCCC)CC1 2227942851 KTQGZCZIIJMJDN-INIZCTEOSA-N 267.432 4.773 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@@H](C)NCCC 2231907081 NUIMDCYJMAZWQB-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1C[C@H](C)O[C@H](C)C1 2231932365 JXRQKYAWQGAUBY-NCOADZHNSA-N 269.473 4.671 30 10 CJEE CCCCCCCC[C@H](C)NCC(CC)(CC)CO 2231946252 OAWAAINTSORLSR-INIZCTEOSA-N 271.489 4.514 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2CC[C@@H]2C(F)(F)F)CC1 2232579157 CCCUQPLOYXPFBH-UPJWGTAASA-N 288.353 4.917 30 10 CJEE Cc1cc(Nc2c(F)cc(C#N)cc2F)c(F)cc1Cl 2234750911 UMOLLUURYJESOK-UHFFFAOYSA-N 296.679 4.681 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)CCCC(C)(C)O1 2235190269 BMAYILLDTPHYDZ-SFHVURJKSA-N 281.484 4.817 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCCCC1CC1 2235484154 BKGBGNARCQWMDH-ROUUACIJSA-N 283.500 4.786 30 10 CJEE C=CCCCCCCC[C@]1(O)CCOC12CCCCC2 2235519681 SIKJXYLGSQHMRB-KRWDZBQOSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1CC[C@@H](CC)O1 2235520695 BQSJRRDBXDLKCH-FGTMMUONSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc(N(C)C)c1 2235540376 WMRYHSBNJZJOBR-SFHVURJKSA-N 275.436 4.703 30 10 CJEE CCCCCCCCC[C@@H](NC)c1nc(C)ccc1F 2237973513 QSUACZAULSYUKC-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@]23C[C@](C(C)C)(CO2)C3)C1 2238258411 KUXHITDQOFTYBK-XMTFNYHQSA-N 275.436 4.692 30 10 CJEE C=CC[C@H](CNC1CCC1)Cc1csc2ccccc12 2240222984 QEXFWMRJJYKTQW-AWEZNQCLSA-N 285.456 4.778 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@]1(C#N)CCCC12CC2 2240576398 YXWKSGMYJOWGDE-WMZOPIPTSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCCN(C(C)C)C1 2240641377 AAKXYUSFSPMRBW-MSOLQXFVSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1O2 2240658148 PBSVBWTYHDUZGD-BRSBDYLESA-N 281.484 4.673 30 10 CJEE CC(C)(C)[C@@H](CS)COCC12CC3CC(CC(C3)C1)C2 2240662764 ILNUMIHYMAIHRX-QFQXCOSMSA-N 296.520 4.812 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2COC[C@H](C2)C1 2240666731 PHJKBTSDWSVITM-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=CC[C@@](C)(Nc1ccc2cc(C)ccc2n1)C(F)F 2241094928 IZQXFRPJBPSJBH-MRXNPFEDSA-N 276.330 4.555 30 10 CJEE CCCCC#CCNc1cc(F)cc(Br)c1C 2250474245 VUOJHCQJKBZSRT-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)c1ccc(Cl)cc1Cl 2251017340 XVTRHDBNQTZXDS-QWRGUYRKSA-N 272.219 4.856 30 10 CJEE CCCCCCCCC[S@](=N)(=O)C[C@H]1CC1(C)C 2254036139 QPWXHLCBKWEYHF-KDOFPFPSSA-N 273.486 4.830 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1CC(SC)C1 2256748237 VFSOYPCPEJWJPX-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE CCCCCCCCCC(=O)O[C@@H](C)C(F)(F)F 2258212219 KYVYZSVLBNRTCW-NSHDSACASA-N 268.319 4.621 30 10 CJEE C=C(C)CCCCC1(O)C[C@H]2CCCCC[C@@H]2C1 2259238171 GYCPXGRTKULEDJ-HZPDHXFCSA-N 250.426 4.844 30 10 CJEE C=C[C@@H](C)CCN(C)C[C@H]1CC[C@H](CCC)CC1 2260381847 HCKMDHSAKPWZMH-BRWVUGGUSA-N 251.458 4.737 30 10 CJEE C=CCCCCCC(=O)Cc1ccc(Cl)c(F)c1 2263386835 AMFSFBPLVBMLNK-UHFFFAOYSA-N 268.759 4.727 30 10 CJEE CCCCCCCCC[C@](C)(O)c1csc(C)n1 2263672145 SWOHSPJSECKKDH-HNNXBMFYSA-N 269.454 4.800 30 10 CJEE CCCC#C[C@@H](C[C@@H]1CCCCC12CC2)NCCC 2264821226 CTZFUJZSFRPYNR-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@]2(C#N)CCCOC2(C)C)C1 2265036384 DXFJVTQJSKJYIV-VYDXJSESSA-N 263.425 4.692 30 10 CJEE N#Cc1cc(NCC2CC3(CCCC3)C2)ccc1Cl 2265231255 QCFPIMUQVLPLDB-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCCCC[C@H](CCCC[C@H]1C[C@H]1C)NN 2265707811 UOQPEGFHLPCULF-IXDOHACOSA-N 268.489 4.785 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CC(F)(F)C12CCC2 2266259348 FKIRXLWUFHCRGB-MCIONIFRSA-N 267.363 4.922 30 10 CJEE N#C[C@H](CSc1cc(F)cc(F)c1)C1CCCCC1 2266607037 MOKPEJUMCNGYRU-GFCCVEGCSA-N 281.371 4.777 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)[C@@H]1CCCCC1(C)C 2268823653 LNDHFLMSJWSAPB-HOTGVXAUSA-N 261.453 4.526 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1cccc(C)c1 2271498884 VYZGFYNOJZYGFB-QGZVFWFLSA-N 277.477 4.735 30 10 CJEE CCC(CC)(C(=O)CC#CC1CCCC1)C(F)(F)F 2274112287 KBAVAYMEZCRDJU-UHFFFAOYSA-N 274.326 4.508 30 10 CJEE C=CCCCC[C@](CC)(CCCCC)OCC(=O)O 2275343667 PAOVLJCMNKPEQG-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCCC[C@@H](CCCC)OCC(=O)O 2275535282 CDOWKSHQMDQRFE-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(C(F)(F)F)s2)CCC1 2277667900 ICQRGWMLLHKAPB-SNVBAGLBSA-N 289.366 4.774 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@H](NCCC)CO1 2278170424 BHOJVHKABAQWDI-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccc(F)nc1 2278174674 XXVUORXXPDPFHF-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2scnc2c1 2278614046 DOEFMGYWDJHVGS-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2cc(C)c(C#N)c(C)c2)C1 2280564023 PZVZURAOZVAKKW-BLLLJJGKSA-N 268.404 4.579 30 10 CJEE C=CCCCCCCCCC(=O)C1(O)CCC(F)CC1 2287393146 VWXGJYYXJWVUMR-UHFFFAOYSA-N 284.415 4.506 30 10 CJEE C#CC1(NC[C@H](C)C2CCCCC2)CC2(CCCC2)C1 2288190335 CDYFEQHLQSDIRF-INIZCTEOSA-N 273.464 4.519 30 10 CJEE C=C[C@@H](C)CCN(C)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2288886576 WTOVKLBRMOIHHH-LVQVYYBASA-N 285.422 4.592 30 10 CJEE N[C@@]1(C#CC2CCCCC2)CCCCCCCC1(F)F 2289703000 GMWWBUWKKXFSAO-MRXNPFEDSA-N 283.406 4.647 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@H]1C[C@@H]1CC 2290574785 AYBWEORRRXQEOU-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCCCCC[C@]1(OCC(=O)O)CC[C@@H]1C 2290577115 FYRIGQRMYGQHKI-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE C=C(CC)C[C@H](OCCC(=O)O)c1cc(C)ccc1Cl 2291161038 UPCUVADQODMUMN-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE CCCCCCCC1(OCCC(=O)O)CC(C(C)C)C1 2291933791 VEXLSGDYRFCDTA-UHFFFAOYSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C(C)(C)C(C)C 2292655691 NUZWOPZTZLYDPM-KRWDZBQOSA-N 283.500 4.929 30 10 CJEE CCCCCCC[C@H](OCCCN)C1C[C@@H]2CC[C@H]2C1 2293715216 UDGSPKOIQADJFZ-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC1CCCC1 2295679945 UPCSHPRJLGVVEZ-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@]1(C)C(=O)CCN1CC(C)C 2295685833 BDICYLITOMWJQX-GOSISDBHSA-N 281.484 4.817 30 10 CJEE CCCC[C@H](CC)CSCCOc1ccc(C#N)cc1 2295793466 BLAMSTHQFZNLBI-HNNXBMFYSA-N 291.460 4.887 30 10 CJEE C=C[C@@](C)(CO)CCCc1cc(Cl)cc(Cl)c1 2302371535 HENRZOKBJPYXRE-CQSZACIVSA-N 273.203 4.501 30 10 CJEE COCCCCCSC[C@](C)(CS)C(C)(C)C 2307236305 RAQTZSROCLKDMB-AWEZNQCLSA-N 278.527 4.519 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]2CC[C@H]1C2 2312890025 RYYYQIDZPMKKBL-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](C)OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2313539728 OTKNFMLCLQHTCA-JTQLQIEISA-N 285.170 4.514 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1ccc(Cl)cc1Cl 2316702595 ARHQRPZXKRQSQC-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE C=CCC(CC=C)[C@H](CCCCSC)NCCC 2316751214 BGAJRKMUUXRHCF-INIZCTEOSA-N 269.498 4.656 30 10 CJEE CCC(C#N)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2318150217 FCKLZDOHGPQCBV-ZDUSSCGKSA-N 286.202 4.665 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC[C@H]1C[C@H]1C)NC 2321111627 AKJHRWXDRIYRMA-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H](C)C1CCCCC1)NCC 2321128554 UITLILIDFLTFOR-ZMSDIMECSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC1CCC(C)CC1)NCC 2321145708 RYIUYRQXZQFJLG-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CCC(CC)CC1 2321220941 XDKXDPBVQGXHDS-BHUNQDJPSA-N 252.442 4.946 30 10 CJEE CC1(C)CC(CS)(COc2cc(F)ccc2Cl)C1 2321722949 MOSJJXVGIMMGIX-UHFFFAOYSA-N 288.815 4.594 30 10 CJEE CC(C)C[C@@H](CS)CO[C@H]1CCC2(CCCC2)C1 2328527587 JMDSRTPKCXXYPG-CABCVRRESA-N 270.482 4.708 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335112759 RHTGJUKZTVOPHF-IAQYHMDHSA-N 281.827 4.520 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)C1(C)CCC1 2335201346 SYQXLKJSDLCZFI-MRXNPFEDSA-N 281.509 4.799 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C(CC2CC2)CC2CC2)C1 2335220701 COJTVEFQNWCSSI-KSSFIOAISA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc([C@@H](C)OC)cc1 2344381253 BLVZWNROXWVWND-DYVFJYSZSA-N 260.377 4.569 30 10 CJEE C#Cc1ncccc1N[C@@H](C)c1cccc(Cl)c1Cl 2348286968 ISPUASGWXDJHPO-JTQLQIEISA-N 291.181 4.543 30 10 CJEE CCCCCCC[C@@](C)(S[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)O 2352010352 QGTLBAVHXRGOMR-HLPPOEQASA-N 284.465 4.722 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@H]2CCCC[C@H]21 2352094535 FFZMLRANACLXKW-ZMSDIMECSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CC[C@H](c2cccs2)C1 2352178936 OMTBZGBUVCLFKS-BBRMVZONSA-N 297.533 4.520 30 10 CJEE OCCCCCCCC#Cc1cccc2ccsc12 2353035394 FWWPSILIBDTBSJ-UHFFFAOYSA-N 272.413 4.586 30 10 CJEE C=CCCC[C@@H](C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)NCCC 2355319488 BCYDTBMVFMVMJG-YHUYYLMFSA-N 285.422 4.782 30 10 CJEE CCCCCN(C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37171582 PXWQVOZIAZSATL-GUDVDZBRSA-N 284.447 4.584 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 37277866 CNRRSCLRYUEOOV-IOASZLSFSA-N 288.822 4.982 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Cl)cc1C 44812885 QKPWHLSRSJLVRZ-UHFFFAOYSA-N 292.810 4.697 30 10 CJEE CCCCCCCN[C@H]1CCC[C@H](C(F)(F)F)C1 59474642 NZVBLRHARYGUQZ-STQMWFEESA-N 265.363 4.668 30 10 CJEE COc1ccc2ccccc2c1/C=N/c1cc(C)ccc1O 59518487 AUDYQCLMVKGMRS-UDWIEESQSA-N 291.350 4.613 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 71159631 NJQSVIUVEDAQKA-JSGCOSHPSA-N 296.336 4.958 30 10 CJEE Cc1cc(C(=O)/C=C/c2sccc2C)ccc1Cl 83193050 ZSIAMSYQMBZIGI-AATRIKPKSA-N 276.788 4.914 30 10 CJEE CCCN(CC1CC1)CC(CS)(CCC)CCC 94580343 CZEWKSRFINJPLN-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCC[C@H]1CCCN(C[C@@H](CS)c2ccccc2)CC1 94581723 BLUILSYYTYBOPA-WMZOPIPTSA-N 291.504 4.602 30 10 CJEE CC[C@@H]1CCC[C@@H](OCC2(CS)CCCCC2)C1 94585859 PYDPMQRNYSXEGS-HUUCEWRRSA-N 270.482 4.852 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 97390171 GVAIHYHXKMYOFP-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(Cl)cc1 109718719 XLEYLVQCOWYSIN-INIZCTEOSA-N 267.844 4.960 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccccc1F 112886035 DUBWEYOEWBVJRJ-MRXNPFEDSA-N 266.400 4.870 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1ccc(OC)cc1 113022713 ZTKSRYOSITVMLM-GOSISDBHSA-N 291.479 4.824 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@@]1(C)CC 115231124 LKMOHXKPJBMVPL-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](CCc1ccc(C)cc1)NN 122199800 DTLZQHBQGUVKBT-LJQANCHMSA-N 290.495 4.900 30 10 CJEE C[C@H](CC#N)Sc1ccccc1NCCc1ccccc1 123609820 FNKZDFCOXSMDKO-OAHLLOKOSA-N 296.439 4.735 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC[C@@H]1OC 124774353 QHANYTHHWFGIKO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnn(CCC)c1 125563498 SSLCOSFJMVKYKV-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H](C)OCC 126519137 ZUNMMWULGGWQET-IRXDYDNUSA-N 286.504 4.554 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCCc3ccccc32)c1 127801443 GFEUKYMOSNSIJL-MRXNPFEDSA-N 282.774 4.701 30 10 CJEE C#CCCC[C@@H](NCC)C1CCC(C(C)(C)C)CC1 130310543 QLVJYGHIXUOEPA-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H](C)OC)NC 139457364 XPXHRBPLUUFRHI-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@H](N)c1cncc(F)c1 143471592 FARSORIDYRTSFH-INIZCTEOSA-N 266.404 4.751 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(C#N)Nc1cccc(Cl)c1 156059098 QOLZOMAMFFZIMH-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(OC)c(F)c1 157326488 NXCNRCWRZBSLMX-INIZCTEOSA-N 295.442 4.845 30 10 CJEE CCCCCCCCn1c(S)nnc1-c1ccccc1 159398390 ASEPBLVZOSVVTK-UHFFFAOYSA-N 289.448 4.594 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCO[C@@H]1C 159707916 LEJGWMHXNLYBQK-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](CCC)OCC 159785731 MKRYUPOUYQHZEN-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@@H](CC1CCOCC1)NC 162614169 CMNAMSHBZSSUOQ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@](C)(CC)OC 163642321 ZGDASVZOHSTFSO-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@]1(CNCCC)CCO[C@@H]1C1CC1 166255814 VMLPETITGXWCSG-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccncc1C 167578582 ZEWJYJGFPBWTJU-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CSc1cccc(N[C@H](C)c2ccc(F)cc2)c1C#N 167581108 GZQCJSXSOXJQLY-LLVKDONJSA-N 286.375 4.592 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC 189875546 PWQLNCGRTSZELH-ZDUSSCGKSA-N 259.393 4.523 30 10 CJEE Cc1ccc(C(=N[Si](C)(C)C)c2ccc(C)cc2)cc1 198016632 GTNXLTXVBQNQTJ-UHFFFAOYSA-N 281.475 4.976 30 10 CJEE CCC(CC)(CC)Nc1ccc(Br)cc1C#N 229173897 RUPDUTREYDVPBW-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccc(OC)n1 232952004 PXINPWGNQGNSHO-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(F)c1F)C1CCCCC1 233905750 IPXNNGXXINGDNA-CYBMUJFWSA-N 278.346 4.607 30 10 CJEE C=CCCCCCC(=O)Cc1c(F)cccc1Cl 236264738 MOLOGZPICVUDQP-UHFFFAOYSA-N 268.759 4.727 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C 251794850 LSYQTUZCGGITDE-WZRBSPASSA-N 296.336 4.814 30 10 CJEE Cc1ccc(N=Cc2ccc3ccccc3c2)c(O)c1 252462960 XTEYRHOQKBJEMP-UHFFFAOYSA-N 261.324 4.604 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CO[C@H](C)C1 253025396 CYVFHPIUVKPDIC-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@@H](C)S1 300172650 RMACSDRIPHVYDF-KBXIAJHMSA-N 290.538 4.724 30 10 CJEE CCCC[C@H](C)[C@@H](CC#CC(C)(C)C)NCCC 306033645 QKXGMRBYWOOPAM-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE CCCCCCCCC[C@H](N)c1cncc(Cl)c1 308012549 NWPPWBSJRPBSSL-HNNXBMFYSA-N 268.832 4.876 30 10 CJEE C=CCCCCCCNCc1ccc(C)cc1Cl 310634980 PUXXXEZRBFTIFN-UHFFFAOYSA-N 265.828 4.875 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(C)cc1OC 312405965 IGQVZPQPQPVGDG-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CC1(C)CCC(C#N)(c2ccc([N+](=O)[O-])cc2Cl)CC1 312642152 RXJBOZHHLCOWQD-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE N#CCc1cccc(N[C@H]2CCc3sc(Cl)cc32)c1 313436903 MKURVVMOIPEYDN-ZDUSSCGKSA-N 288.803 4.567 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2cccc(Cl)c2Cl)O1 380063038 YNQXFNWZDAMBQH-WCQYABFASA-N 270.159 4.517 30 10 CJEE CCc1csc(SC[C@@H](CS)c2ccccc2)n1 382921995 CMCJSXKYKBSILR-GFCCVEGCSA-N 295.498 4.511 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cccc(Cl)c1Cl 385042034 RIZRZOBOAXJBAL-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE CCC[C@H](CS)CN(Cc1ccccc1)[C@@H](C)C1CC1 385685488 BOFQWCUZXSQEFI-RDJZCZTQSA-N 291.504 4.633 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCCC1)c1ccc(Cl)s1 397096035 BGJVQVIINORYJV-DGCLKSJQSA-N 296.867 4.772 30 10 CJEE CCCC[C@H](CC)CNC[C@@H](C#N)C1CCCCC1 397297711 OWBODEJLAPEDLY-DOTOQJQBSA-N 264.457 4.512 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1c(Cl)cccc1Cl 400875627 UJMBGQGDWOWOAE-JTQLQIEISA-N 272.219 4.856 30 10 CJEE CCCCCCCC(=O)[C@@H](CC)CC(F)(F)F 402567611 NFXKSZSKEZGXLV-NSHDSACASA-N 252.320 4.895 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C 466648384 TUNUYRWGLMHVTH-VQIMIIECSA-N 299.458 4.959 30 10 CJEE CCCCCCC[C@H]1CC[C@H](C(=O)OCC)CC1 585669510 AFDFFIXKBVDEIO-SHTZXODSSA-N 254.414 4.716 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(c2ccsc2[N+](=O)[O-])C1 688316342 QXVXGSMCDXODRL-UHFFFAOYSA-N 292.404 4.654 30 10 CJEE C=C(CNc1cccc(SCC)c1)c1ccccc1 690107880 KOPYSOWMPKYKND-UHFFFAOYSA-N 269.413 4.924 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC1(F)F)NCCC 691201245 DDSVEUUZKUHWPE-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CCCCCCCCCC[C@H](O)c1c(C)n[nH]c1C 693113132 RENCYAAHIHNCFA-HNNXBMFYSA-N 266.429 4.591 30 10 CJEE C=CCCCCCC(=O)c1csc(C(C)C)n1 695438471 PSVBTHZFOSPVHJ-UHFFFAOYSA-N 251.395 4.586 30 10 CJEE CCCCCCCCCNCCSCC(F)(F)F 698960932 JEXTYYSOUFNPJQ-UHFFFAOYSA-N 285.419 4.622 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C(C)(C)C 702249795 BTXIWGCBVZIMFE-YOEHRIQHSA-N 271.448 4.683 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 702283461 ZDJWOOSSEYUKID-PBHICJAKSA-N 257.421 4.509 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)C(C)(C)C 702292200 AZYBAEKQFFEGHG-KBXCAEBGSA-N 265.400 4.538 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C#N)c(Cl)c1 704012468 YVOXBPLGSAVMBW-UHFFFAOYSA-N 262.784 4.616 30 10 CJEE C=C(Cl)C[C@H]1CCCCC[C@@H]1CNCC(C)C 710618102 DWARGOATJSBBPT-HUUCEWRRSA-N 257.849 4.571 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CCC3(CCC3)O2)CC1 712396265 IBWXGYMYROTZLR-CGZBRXJRSA-N 275.436 4.978 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H]2CCCC[C@@H]21 712426424 UHCYUTZDYXOGGI-DZKIICNBSA-N 273.445 4.955 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc2sccc2c1 715718716 GULPOJDNSQNCMR-MLGOLLRUSA-N 259.418 4.764 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1(OC)CCC(C)(C)CC1 715755169 XHCKZBAHBYBCID-CVEARBPZSA-N 281.484 4.552 30 10 CJEE C=CC[C@@H](C)[C@H](CSc1ccc(Cl)cc1)NCC 715799858 PWNNQXYYFLAWBE-DOMZBBRYSA-N 283.868 4.622 30 10 CJEE O=C(C1=CCCCCCC1)c1c(F)ccc(F)c1F 716408340 RHUNAWLDRGNPKK-UHFFFAOYSA-N 268.278 4.567 30 10 CJEE CCSc1cccc(NCC[C@@H]2CC[C@H]3C[C@@H]23)c1C#N 717029337 AGUHHNGJYZVEAP-IHRRRGAJSA-N 286.444 4.518 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cc(Cl)c(F)cc21 717666411 PGPGOLRPSHDQLP-UHFFFAOYSA-N 298.814 4.819 30 10 CJEE CN([C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N)C1(C)CCCC1 720344687 NPEXWXDZYHKAMA-BZUAXINKSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](COC)C(C)C)NC 721723068 FJJKPEMEXDZBQP-IRXDYDNUSA-N 271.489 4.634 30 10 CJEE CCCCCCCCCCCC[C@]1(CO)CCCCN1 722758804 XYWKNGCNQNTCHV-GOSISDBHSA-N 283.500 4.802 30 10 CJEE C[C@H]1CC(C#N)(CC/C=C\c2ccccc2)C[C@@H](C)O1 724231160 YMKDFVOBMPAGKW-VSJUQYIHSA-N 269.388 4.577 30 10 CJEE C=C1CCC(CN[C@H](C)Cc2ccc(Cl)cc2)CC1 724443318 PKLTXZZJHGJKNJ-CQSZACIVSA-N 277.839 4.607 30 10 CJEE Cc1cc(C)c(C=Nc2cc(C)ccc2C)c(C)c1 1084069955 PRWDAMRERZHKDS-UHFFFAOYSA-N 251.373 4.979 30 10 CJEE O=C1/C(=C/c2ccc(Cl)cc2Cl)Nc2ccccc21 1088708730 ZBQRVTYJVHFANM-AUWJEWJLSA-N 290.149 4.643 30 10 CJEE C=CCC(CC=C)C(=O)N1c2ccccc2CC[C@@H]1CC 1126750937 JROHUUJXOTXFMF-KRWDZBQOSA-N 283.415 4.513 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 1127523414 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1474744213 GSJIBJXGRUQDPU-KSSFIOAISA-N 291.866 4.922 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CC[C@H](CC)CC1)c1ccccc1 1528632467 SYIHEOQGRFGEGR-XIRDDKMYSA-N 272.388 4.673 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CC[C@@H](C)CC 1530533729 KSSLKXLARMPMLM-LBPRGKRZSA-N 299.867 4.742 30 10 CJEE C=CC[C@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)c1ccccc1 1531447839 FRASFMKPBQXORL-LNLFQRSKSA-N 299.458 4.679 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](C)CC(C)C)c1ccccc1 1536426580 RSUVJAHQUPPFRX-WMZOPIPTSA-N 287.447 4.677 30 10 CJEE C#CCC1(NC(=O)CCC2CCCCCC2)CCCCC1 1538568938 RDRQCSNYUJIFHD-UHFFFAOYSA-N 289.463 4.579 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccc(Cl)cc1F)C(C)C 1559738600 CUAMMEWDVAVXCV-IAQYHMDHSA-N 269.791 4.730 30 10 CJEE C=CCCCCCCNC(=O)N1CC[C@H](CC(C)(C)C)C1 1564726943 IFJSNGZZPKWWKU-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C[C@@H](Sc1nc(Cl)c(C#N)s1)c1ccccc1F 1611886222 CHSARWLCHZFSCL-SSDOTTSWSA-N 298.795 4.661 30 10 CJEE C=CCOc1cccc(CNC2(CC=C)CCCCC2)c1 1620937316 MNNPXTWKRMTWHE-UHFFFAOYSA-N 285.431 4.620 30 10 CJEE 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GPYYCXKLIYVFJE-CVEARBPZSA-N 275.440 4.628 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CCc2ccccc2C1 2206901624 DCXJMFWZCULDIJ-OALUTQOASA-N 271.448 4.645 30 10 CJEE C=CCCCCCCCCC[C@H]1C[C@@H](COC)CC1=O 2207374045 OGVJYJGVCYFMDF-SJORKVTESA-N 280.452 4.925 30 10 CJEE C=CCCCCCCCCCN1CCO[C@](C)(CC)C1 2207379063 XJAVKXDJKNBSGY-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H](C)CCOC 2207402445 JYLXIKZVGWMCCC-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1NC 2207405540 YAHWSRNLVCKDAF-MBOZVWFJSA-N 299.439 4.894 30 10 CJEE C=CCCCCCCCCC[C@H](N)CC1CCOCC1 2207427055 IVGZYTYBCNIWOD-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@]1(O)CCC[C@H](C)C1 2207439906 UIYFFBUQYLZSOS-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H](O)CCCCCCCC)CC1 2207456214 IUBULPULUQSAOM-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H](NCCC)P(C)(C)=O 2215716280 KMPPUZMLNVZJMT-CQSZACIVSA-N 261.390 4.685 30 10 CJEE CCCCCCCCC(C)=N[S@@](=O)C(C)(C)C 2217258305 FROMPJZJNJGYLR-KRWDZBQOSA-N 259.459 4.660 30 10 CJEE C=C(C(F)(F)F)[C@](C)(N)CCCCCCCC 2217297521 PMMQDZHHCJXHOM-GFCCVEGCSA-N 251.336 4.573 30 10 CJEE C=CCCCCCCC[C@]1(CNC)CC[C@@H](C)C1 2220082645 CXIOXDMJTOGQLY-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H](SC)C1CC1 2221144355 BQRBEXICPSRQHA-JKSUJKDBSA-N 270.482 4.796 30 10 CJEE C=C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C1CCC1 2222133517 DSYFYGRKSVRGQR-BONVTDFDSA-N 284.230 4.999 30 10 CJEE CCCCCCCC[C@](C)(O)CCCOC(C)C 2223830797 RSTILOBYWGRQMN-INIZCTEOSA-N 258.446 4.693 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@H](C)C1CCCCC1 2225433439 INRQLOTWEHGTDW-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1[C@H]2CCCC[C@H]21 2227267976 LIXOZVUCRVNRTH-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H]1CCCC(F)(F)[C@H]1NC 2227285636 GDQFGHNJWAWLAO-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(C)ncc1C 2227286439 MVHCWFQPRONQFB-KRWDZBQOSA-N 260.425 4.615 30 10 CJEE CC1(CNc2ccc(C#N)c(Cl)c2)CC2(CCC2)C1 2228215898 IYQKEDUQESPDGR-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CCCCCC#CC[C@]1(O)CCC[C@H](C(C)(C)C)C1 2229852857 XEDZUHFFDVUDDR-WMZOPIPTSA-N 264.453 4.928 30 10 CJEE C=CCCC(C)(C)NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2230663481 SQTQZWHMEPHDSH-IXDOHACOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCO[C@](C)(CC(C)C)C(=O)O 2230994537 YMHIVKLWKRDJKY-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCCCCOC[C@H](C)CNC(C)(C)C 2231019019 XNLHAFKBWOJQJD-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE O=C(CC#Cc1cccc(Cl)c1)c1ccccc1Cl 2231027839 NVJQZKSOYAACCS-UHFFFAOYSA-N 289.161 4.618 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CCCC[C@H]1C(F)(F)F 2231397376 FBDJCRIMNUQIHS-VXGBXAGGSA-N 298.414 4.860 30 10 CJEE C=C[C@](C)(CCC(C)(C)C(F)(F)F)CNC1CCC1 2231499413 IVAIAWQZPJWCFV-CQSZACIVSA-N 277.374 4.690 30 10 CJEE CC(F)(F)CCC[C@H](N)CCCC(F)(F)C(F)(F)F 2231742389 CEWSSVALUAUHOX-QMMMGPOBSA-N 297.258 4.507 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@H]1C[C@H]2CCC[C@H](C2)C1 2233630828 XXXSXRODNMMDOM-PTEHBNRSSA-N 292.785 4.731 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233656543 NTQISBFGJCZHFE-RFBLXINOSA-N 285.422 4.638 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](O)c1scc(C)c1C 2234224166 YYKAJBSSTVYRKX-HZPDHXFCSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCCC(C)(C)O1 2235513745 MKOSPSQPYADUCO-DLBZAZTESA-N 281.484 4.839 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@H]1C(C)C 2235527321 UKRNQTCEHIHPTP-WMZOPIPTSA-N 280.452 4.659 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@]23COC[C@H](C2)C3)CC1 2236438400 AREJLSIHQASDEA-VIIFCENCSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCCc2scnc21 2238090549 JNTHRQDGMFDOEL-QGZVFWFLSA-N 292.492 4.940 30 10 CJEE C=CCC[C@@H](CC1(C)CC2(CC(F)(F)C2)C1)NCCC 2238802879 NXPRZRSYZQPZOW-AWEZNQCLSA-N 285.422 4.927 30 10 CJEE C=CCC(C)(C)COCc1cc(CN[C@H](C)CC)cs1 2238946969 GNSBUXBQZSSVFL-CQSZACIVSA-N 295.492 4.755 30 10 CJEE C=C[C@@H](CCCCC)OCc1cc(CNC2CC2)cs1 2239497994 CSJHAIGXSKRGJC-INIZCTEOSA-N 293.476 4.652 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)CCC1CCC1 2239561887 KPHBDCRNNIHCHK-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCCC(CCC)[C@H](C#Cc1ccc(C)cc1)NCC 2239645252 IHNZZPYKKKJKHF-IBGZPJMESA-N 271.448 4.541 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC 2240215763 CNBKIJGLWZJWOF-CRAIPNDOSA-N 273.464 4.717 30 10 CJEE CCCCCCCC[C@](C)(O)c1nc2cccnc2s1 2240610884 FPALVZBOTFVUQP-INIZCTEOSA-N 292.448 4.649 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)[C@H](C)C(C)C 2240666704 PCMKIKZFIBQTCD-SQNIBIBYSA-N 285.516 4.758 30 10 CJEE C=C(C)CCn1ccc2cc(Cl)c(Cl)cc21 2243576019 OYQWYGPVVWEHAA-UHFFFAOYSA-N 254.160 4.914 30 10 CJEE C=C(C)CCCC[C@](C)(N)CCCC(F)(F)F 2250144618 DSFCYQFBPLWWLP-LBPRGKRZSA-N 251.336 4.573 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(C)cccc1Br 2250156566 MZYCPTQEMPESQH-CQSZACIVSA-N 297.236 4.927 30 10 CJEE CC[C@](C#N)(CC1(C)CC(C(F)(F)F)C1)C(C)C 2253690824 HXARAYUNQNAQLV-WXRRBKDZSA-N 261.331 4.931 30 10 CJEE N#CC1(c2ccc(Cl)c(Cl)c2)CC2(CC(F)C2)C1 2254449867 LUBRDSSSYCYZGP-UHFFFAOYSA-N 284.161 4.667 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(Cl)c1OC 2256117556 MMJJPFNSVUTKEN-ZDUSSCGKSA-N 288.218 4.532 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 2257905792 JLSBVDXRGLYKSU-LDDOYCOJSA-N 271.470 4.582 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1sc(C(F)(F)F)cc1C 2263309407 FOMPFRCMJCXAHD-KWQFWETISA-N 277.355 4.548 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H]1CC[C@H](C(F)(F)F)C1 2264982625 ABUVBAPNQWFZOO-RDBSUJKOSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCCCC[C@H](N)Cc1cnsc1 2265399014 LKPRTZVYJIBHJZ-INIZCTEOSA-N 280.481 4.710 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc2cccnc2s1 2265468145 BOTDOLDOXZEPHG-CQSZACIVSA-N 274.433 4.693 30 10 CJEE CCCCCCCCC(=O)[C@H](O)c1sccc1CC 2267888393 JENBUMROYGOMFS-HNNXBMFYSA-N 282.449 4.664 30 10 CJEE C=CCCCCCCNC[C@@H]1CC[C@H]2C[C@H]1C2(C)C 2270499152 LUJIACWNBNAGPK-YESZJQIVSA-N 263.469 4.785 30 10 CJEE C=C(C)CCOc1cc(C)c(Cl)cc1[C@H](C)NCC 2270957082 NLCJNGBHOAIWFO-ZDUSSCGKSA-N 281.827 4.664 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CC[C@H]1C(F)(F)F 2271782396 XMHAHEKNVGNNAP-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C#CCCN(CC[C@@H](C)CCCC(C)C)C1CCC1 2272308637 GKBVOWFXKCRAIY-KRWDZBQOSA-N 263.469 4.717 30 10 CJEE C#CC1CCC(NCC[C@@H](C)CCCC(C)C)CC1 2272360446 CILCAALVKKHVLE-AOCRQIFASA-N 263.469 4.621 30 10 CJEE C=C1CCC(C[C@@H]2[C@H](O)C(C)(C)CCC2(C)C)CC1 2274564838 NHNUGMWKLFRYIB-CVEARBPZSA-N 264.453 4.946 30 10 CJEE C=CCCCC[C@H](OCCCN)c1scc(C)c1C 2276775250 DFEWYQYJCYEBJN-HNNXBMFYSA-N 281.465 4.518 30 10 CJEE CCCCCCCCCC[C@@](C)(OCCN)C(F)F 2276815629 OBBXICKJFDJGJS-OAHLLOKOSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H]2CCC[C@@H]2CO1 2278127346 MWMUQQLRCWOWDK-IXDOHACOSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@](C)(CNC1CC1)OCC 2278128625 YZYLXKXBKWBOOM-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCCCCCC)C1CCC1 2278228000 DGDQHGSWTRYVSS-FUHWJXTLSA-N 263.469 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@@H](C)CCC 2278241992 HCSAYEMOBUHEJE-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE O=C[C@@]1(C[C@H]2CC(F)(F)C23CCC3)CCCC(F)(F)C1 2280812469 OFYZXSOFZDYEDY-NWDGAFQWSA-N 292.316 4.597 30 10 CJEE Cc1cccc2ccc(CC=CC#CC(C)(C)C)nc12 2284106536 IEDUUBOMZVHNDK-UHFFFAOYSA-N 263.384 4.691 30 10 CJEE CC(C)(C)C#CC=CCNCC1(C)CCC(C)(C)CC1 2284113256 QGGVXRLEFKZHMG-UHFFFAOYSA-N 275.480 4.788 30 10 CJEE CC(C)CCC[C@H](C)CCOc1ncc(C#N)cc1Cl 2284890268 GUQHNHSXBMZECE-ZDUSSCGKSA-N 294.826 4.838 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@H](C(C)C)CCS1 2287886927 WPYCSHXYWWRKOX-HZPDHXFCSA-N 298.540 4.946 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1ccnc(C#N)c1C 2288427549 FHUBTLFMBPGQNM-QGZVFWFLSA-N 274.408 4.636 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CC=CCC1 2289900319 BHCNYPWKXXPGHB-LJQANCHMSA-N 273.464 4.542 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2cc(C#N)cc(Cl)n2)C1 2290309221 WTRQRXCMCAYXJH-GFCCVEGCSA-N 291.826 4.623 30 10 CJEE CN(c1cccc(C#N)c1)[C@H]1CC(C)(C)CCC1(C)C 2290320042 NPVJLPPUCFAKBK-INIZCTEOSA-N 270.420 4.599 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)C1CC=CC1 2291563066 RYRJTAGIVHSAFH-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C 2292569212 VTSZPPQPWAISII-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCCCC12CCCC2 2293059347 AEDXGNWREUWIOX-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CC[C@H](C)[C@@H](OCCCN)c1ccc(C(C)(C)C)s1 2293751769 UDBCCULYCDGSMA-XJKSGUPXSA-N 295.492 4.664 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)[C@H](CC)C(C)C 2295203019 OCLNWRCXFQMSFV-SJLPKXTDSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C[C@@H](C)CC 2295536254 LVJKRPPJNSHRJP-ZWKOTPCHSA-N 284.532 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCOCC1(C)C 2295670323 DFOMQSXSRKQSNR-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2297330106 KGKGMNLXUIREKU-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE CCC(=CC(=O)c1ccc(OC)cc1)Nc1cccc(C)c1 2313523427 WTXOHUBJAZHPAD-UHFFFAOYSA-N 295.382 4.592 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC[C@H](C)C(F)F 2316640520 IJWNXIJQHVWILM-SGTLLEGYSA-N 283.428 4.685 30 10 CJEE Cc1c(F)ccc(COC[C@@H](CS)C(C)C)c1Cl 2317205259 CSJJWNJVYIKJJP-LBPRGKRZSA-N 290.831 4.506 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(CSC)cc1 2321222315 AXVCFUDFSVUETB-CVEARBPZSA-N 264.434 4.575 30 10 CJEE CCCCN(CCCC)CC1(CS)CC(C)(C)C1 2321757270 QUMXINOBTNLJKS-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CC1 2333327054 KASQRURMSCVFRV-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1c(F)ccc(C)c1Cl 2335402417 AAYPWKLTSGVWRD-MRXNPFEDSA-N 276.738 4.534 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H](C)SC 2335901860 JJNQEFIUINYCDF-HZPDHXFCSA-N 288.545 4.881 30 10 CJEE CCCCCCCCN(C)[C@H](CC)[C@H]1CCCCO1 2337322940 CAPQTRZTHKEJLG-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE C=C([C@H](NC)c1cc(F)ccc1C(F)F)C(C)(C)C 2338278336 DRHOTPWLVGBGCU-ZDUSSCGKSA-N 271.326 4.626 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccccc1C(C)(C)C 2338699123 LDCXDLHQUMXGBQ-QGZVFWFLSA-N 258.405 4.786 30 10 CJEE CC#CCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2341165535 LHJGVPYVANVEFO-MRXNPFEDSA-N 299.241 4.871 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCCC(F)(F)C1)NCCC 2344341956 GGWVOGGNISXJNN-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(CSC)c1 2344379834 PKWNDYQACNGSDN-WMLDXEAASA-N 277.477 4.803 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352756508 MHDAUHLYPUMFKV-YIYPIFLZSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CCC[C@@H]1C[C@H]1C)NCC 2356060494 NDHVGQWBQVFMRF-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NCC[C@H]1CCC[C@@H]2C[C@H]12 2356129420 QGIWUFYSLPBTLZ-NQBHXWOUSA-N 292.785 4.589 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1OC)NCCC 2356714473 XENARKNWJKNSHM-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2C[C@H]2C2CCCCCC2)CCO1 2357826991 SJLFKFRGXBBMLK-DKIMLUQUSA-N 275.436 4.692 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1C[C@@H]1C)OCC(=O)O 2359961014 BJIBLRYQNGHYHW-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCN(CCCC)c1c(C#N)cnc2ccccc12 36913301 OZNRUWVNMAGVOK-UHFFFAOYSA-N 281.403 4.513 30 10 CJEE N#CC[C@@H](Sc1ccc(F)cc1)c1ccccc1 55022417 RIIHHELPGYXTRY-OAHLLOKOSA-N 257.333 4.573 30 10 CJEE CC(C)CC[N+](C)(CC#Cc1ccccc1)CCC(C)C 59383583 XEFLWZDNKDYJOZ-UHFFFAOYSA-N 286.483 4.577 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C(=O)NC)cc1C 59471737 DXOKOZJGWZDLPK-HNNXBMFYSA-N 290.451 4.516 30 10 CJEE CCCCCCCCO[C@@H](C)C(=O)c1ccc(OC)cc1 59526290 DQUDHDLMUCWTTL-HNNXBMFYSA-N 292.419 4.644 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(OC(F)F)cc1 62789873 SLOWVCKJUSQTRE-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCC[C@@H]1CN 91367034 SHIZPSJYSAWTFV-SJORKVTESA-N 269.473 4.519 30 10 CJEE CCCCN(CCCC)C[C@H](CS)c1ccccc1 94578914 WUPOFALNSNCMCM-QGZVFWFLSA-N 279.493 4.602 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C)c2ccccc2n1 97816813 PRQKRPGJSSYICL-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCCn1c(CO)nc2cc(C(C)C)ccc21 105502851 VGZSPZIXAJDOHL-UHFFFAOYSA-N 288.435 4.622 30 10 CJEE C#CC[C@@H](C)c1c(C)c(Cl)cc(C)c1OCCC 107651354 NTRBKQTVCGZUFJ-LLVKDONJSA-N 264.796 4.872 30 10 CJEE C#CC[C@@H](C)c1cc(Cl)cc(Cl)c1OCCC 107656892 YYLHSWYWOOZCDQ-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccccc1 107841280 IIOOCCVHFJVWSR-INIZCTEOSA-N 257.377 4.613 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](C)CC 109443973 JYEHGKXXTGHMDV-HNNXBMFYSA-N 255.446 4.822 30 10 CJEE C[C@H]1CCC[C@@H](N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 110264168 JBQUVYABOSFZPQ-YYWYGQEZSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCN1C[C@@H](C)NCC1(CC)CC 115218986 UGSTZIRNDFSWGB-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NCC1(C)C 115222508 YRPJAAWGZYRARJ-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCc1nnc([C@@H](C)NC)s1 116084110 FVCAFIZWUVCCIR-CQSZACIVSA-N 297.512 4.892 30 10 CJEE CCCCCCCCCn1ccc([C@H](N)C2CC2)c1 118248195 VMZBBKWCWMSJMK-QGZVFWFLSA-N 262.441 4.649 30 10 CJEE CCCCCCC[C@H](Cc1csc2ccccc12)NN 122101721 SOJOBHHTCGLPFQ-OAHLLOKOSA-N 290.476 4.636 30 10 CJEE CCCCCCCCCC(=O)/C=C/c1ccc(N)cc1 124662213 QWWDZXOUOKMZCV-NTCAYCPXSA-N 273.420 4.992 30 10 CJEE C=C(C)CC[C@H](NCCC)c1sccc1CC 125744430 CEVDTCVYIVAAIF-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](OC)C1CC1 129460962 PDADXEQWAJHDCR-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C1CCC(C)(C)CC1 129797976 ROXCRWWQCXPVAE-IBGZPJMESA-N 296.543 4.965 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccncc1OC 134647232 VHQHRQHSKANFBT-INIZCTEOSA-N 278.440 4.621 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnns1 139481100 MBIGKZMAMUOGDX-CQSZACIVSA-N 283.485 4.720 30 10 CJEE CCCCCCCC[C@@]1(CNCC)CCO[C@@H]1C1CC1 166221438 YURXEHLRCOHWJY-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE C=C(C)CNc1ccc(Br)c2ccccc12 168150528 HVALYTPOTLGHBX-UHFFFAOYSA-N 276.177 4.590 30 10 CJEE C=C(CC)CC[C@@H](CNC(C)(C)C)c1ccccc1 211889592 LDNUYPDLLHPGKD-KRWDZBQOSA-N 259.437 4.905 30 10 CJEE CC(C)c1ccc(C[C@](C)(C#N)N2CCCCCC2)cc1 212306801 XXVJFUGAXNSHMC-LJQANCHMSA-N 284.447 4.511 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1cccc(Cl)c1Cl 219586864 AMKKDHCBRHBICC-HONMWMINSA-N 297.229 4.726 30 10 CJEE CSc1cccc(Oc2ccc(C)c(F)c2)c1C#N 226418218 FEMUCZIQJMTDPO-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE Cc1cccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)c1C#N 235929267 LXXWLCBVDZUXMF-RDJZCZTQSA-N 270.420 4.884 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](CS)C(C)(C)C 251749395 QSYLOULRMTXSPJ-TZMCWYRMSA-N 299.911 4.925 30 10 CJEE CC(C)Sc1ccc([C@H](C)CC=O)cc1Cl 258390539 MXZLTRNAQLDHOJ-SNVBAGLBSA-N 256.798 4.533 30 10 CJEE N#C[C@H](c1cccc(Cl)c1F)[C@H]1C[C@H]2CC[C@H]1C2 302326928 HNENYLNRKDFAGC-XRRVDJEJSA-N 263.743 4.522 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 307960790 WPYXQJJMNRZXTM-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CC1(C)CC(=O)C=C(CCc2ccc(Cl)cc2)C1 308472945 ADQKQYOZQIWDQQ-UHFFFAOYSA-N 262.780 4.588 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CCCCC2(F)F)C1 316946981 HOIVPOFEVCRCPU-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1cc2ccccc2s1 387457024 ABOXZTVVMYFAOY-QGZVFWFLSA-N 289.444 4.533 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](C#N)Nc2ccc(C)cc2)C1 394541901 UHLCHKCTLLBGTJ-INMHGKMJSA-N 256.393 4.516 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](C#N)Nc2ccc(Cl)cc2)C1 394578056 TUCUCTBIAFGPIW-DVOMOZLQSA-N 276.811 4.860 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cc(Cl)ccc1Cl 397642588 SZHSXDMGDZGRGI-SECBINFHSA-N 271.191 4.591 30 10 CJEE C=CCCC[C@@H](C)N[C@@H]1c2ccccc2CC1(C)C 398205546 XXXAZIQZIVMROY-RHSMWYFYSA-N 257.421 4.644 30 10 CJEE CCCCCCCCC[C@H](CCCSC)NC 401489881 FXTCNHVFTMALPL-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE C=C(C)CNc1cc(Cl)c(Cl)c(Cl)c1 404211075 VEQDGZKDUGMNQJ-UHFFFAOYSA-N 250.556 4.635 30 10 CJEE C[C@@H](CCC(C)(C)C)/N=C1/NC2(CCCC2)CCS1 687324219 YLERLFASWJGWOF-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE Cc1ccc(C(C)C)cc1O[C@H](C)CC(C)(C)C#N 695817238 MTQPDJKGECWGIC-CQSZACIVSA-N 259.393 4.826 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H](CN)CC(C)C 696039761 XVXLZYRVBQOKGF-ROUUACIJSA-N 285.516 4.889 30 10 CJEE C=CCCSCCN[C@H]1CCC[C@H](CCC)CC1 696138721 GLQYTSXWJHRFEX-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C=C([C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C)C(F)(F)F 699105634 HKZYJMYSNRKGDS-WHOFXGATSA-N 291.401 4.936 30 10 CJEE CCCCCCCCCC[C@]1(N)CCS[C@H]1C 704956423 ALPYDADAVABZMR-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)C(F)(F)F)NC 705453952 MXJAMIQIRLEMHU-VXGBXAGGSA-N 253.352 4.523 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 709108516 LZEATFGLYFZEFJ-WCQYABFASA-N 277.795 4.589 30 10 CJEE C=C(Cl)C[C@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 710476139 OPHAXMPXILWZRB-HNNXBMFYSA-N 279.855 4.613 30 10 CJEE C=CCCC[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 712537549 DGGJNWYALCRGNT-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE C=CC[C@@H](C)[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715706856 USIRTOMYSAAHRB-CDGIPXIKSA-N 275.480 4.913 30 10 CJEE CCCCCCCCC[C@]1(O)COC[C@@H]1CC(C)C 716294654 XMQXWLKNMOHJTN-IRXDYDNUSA-N 270.457 4.551 30 10 CJEE C=C1CCC(CN[C@H](C)[C@H]2CC3CCC2CC3)CC1 724574580 DRKSOZCWOOZQMD-VSVYTNTFSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H](CCc2ccco2)NCCC)CC1 724596631 NBHCDMRKXMLQLL-QGZVFWFLSA-N 275.436 4.717 30 10 CJEE CSc1ccccc1N=Cc1cccn1-c1ccccc1 1084144059 HWJPTYJANVDHAB-UHFFFAOYSA-N 292.407 4.950 30 10 CJEE C#CC[C@H](NCCC1CCCCCC1)c1ccccc1 1168724009 QDOLGMVYLGFALG-IBGZPJMESA-N 269.432 4.701 30 10 CJEE C=CCCN(Cc1ccc2[nH]ccc2c1)Cc1cccs1 1175036103 OBHDWSYRIBRERQ-UHFFFAOYSA-N 296.439 4.808 30 10 CJEE C=CCCCC[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 1180284814 NBVXRDUQZCLOBP-AWEZNQCLSA-N 269.392 4.624 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCC[C@@H](OCC)C1 1181162289 GROQHTKLMWGFAS-IAGOWNOFSA-N 273.420 4.565 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2cc(C3CC3)ccc2F)C1 1202560746 LZYATZLBNYMZSH-DYVFJYSZSA-N 273.395 4.538 30 10 CJEE C=CCC[C@H](C)Nc1ccccc1O[C@H](C)C(F)(F)F 1206142683 MOOMACQCIGIJJQ-NWDGAFQWSA-N 287.325 4.783 30 10 CJEE C=CCC[C@H](CCC)NCCc1ccc(C)c(C)c1 1206605330 OAPPJKUBSRJHDG-SFHVURJKSA-N 259.437 4.570 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@H]1CCC[C@H](C)C1 1221467529 RPMSZTMPZRZAKO-IRXDYDNUSA-N 294.483 4.639 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CCC1 1288428165 QAEPPOAFURFGCP-UHFFFAOYSA-N 289.394 4.808 30 10 CJEE C=CCCN(Cc1cccs1)c1ccc(C)cc1 1307541228 KBSIAGFBSHODFD-UHFFFAOYSA-N 257.402 4.639 30 10 CJEE C=CCC1(NCc2cc(Cl)nc(Cl)c2)CCCCC1 1308003036 PGHMOZQUXNOGHN-UHFFFAOYSA-N 299.245 4.757 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H](C)c1ccccc1 1308668476 FYJKBOGVZKXCCW-IRXDYDNUSA-N 259.437 4.905 30 10 CJEE C=CC1(CC(=O)Nc2cnc(Cl)c(C)c2)CCCCC1 1435384525 HTVTUGPRVYEOKB-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C#CCN(Cc1cccc(-c2ccc(Cl)cc2)c1)C1CC1 1462255186 MMMFSCYPNGJIID-UHFFFAOYSA-N 295.813 4.605 30 10 CJEE C=CCCC[C@H](NCc1ccc(C)cc1O)c1ccccc1 1462547281 FPHVGUYXFXTRIR-IBGZPJMESA-N 295.426 4.888 30 10 CJEE C=CCC[C@@H](Nc1cc(C(C)C)ncn1)c1ccccc1 1472734765 AJRAXVAXAPETCF-MRXNPFEDSA-N 281.403 4.719 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(OCCC)c1 1473638182 REYSOINQQZSCLI-HKUYNNGSSA-N 287.447 4.700 30 10 CJEE C=CCC1(NC/C=C\c2ccc(N(C)C)cc2)CCCCC1 1474146776 CURSPKSDSSHMJM-HJWRWDBZSA-N 298.474 4.634 30 10 CJEE C=CCC1(NCc2cccc(Cl)c2C)CCCC1 1474209880 JSHVIALTWQNXPC-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@H](C)C1CCCCC1 1530308580 CZTKINQHSFEUEW-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 1534158433 IWCFKKMDWLXCTE-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CCC1(C(=O)N[C@H](C)[C@@]23CCCC[C@H]2C3)CCCCC1 1544271851 SDIJYLWIJKRHRP-GJYPPUQNSA-N 289.463 4.598 30 10 CJEE C=CCCC1(CNc2ccnc(C(C)C)n2)CCCC1 1559235111 JMZYXMLIEZPYEY-UHFFFAOYSA-N 273.424 4.539 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1c1ccccc1 1560853018 QYWVTKWQGPZMRP-IAGOWNOFSA-N 257.421 4.515 30 10 CJEE C=CC(C)(C)CCCNCCc1ccc(F)cc1Cl 1560997096 KROVRYSWOFWVNH-UHFFFAOYSA-N 283.818 4.604 30 10 CJEE C=CCC1(NC(=O)Nc2c(C)cccc2C)CCCCC1 1562147699 JBAWGMKQNMGDTF-UHFFFAOYSA-N 286.419 4.704 30 10 CJEE C=CCC1(NC(=O)Nc2cc(C)ccc2C)CCCCC1 1562159278 QOXIHXKWPIKGGM-UHFFFAOYSA-N 286.419 4.704 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H](C)c1ccsc1 1564644399 KVYLFTCUAHAIBK-AWEZNQCLSA-N 294.464 4.635 30 10 CJEE C=C[C@H](OC(=O)c1cscc1C(F)F)c1ccccc1 1586193773 CAVYPATZUAVENM-ZDUSSCGKSA-N 294.322 4.770 30 10 CJEE CCc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614755443 FWQRTGUFMVMSAW-UHFFFAOYSA-N 274.285 4.668 30 10 CJEE C=CCC[C@@H]1CCCN1CCO[C@H](CC)c1ccccc1 1620642257 NIUNYOMGRBQSOR-RTBURBONSA-N 287.447 4.585 30 10 CJEE C=CC[C@@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 1647406088 ZOEPJQHUXSZKLI-MSOLQXFVSA-N 291.479 4.547 30 10 CJEE C=CCCCCCCNCc1csc(C)c1C 1651061227 YKAMKEAEFWGXSZ-UHFFFAOYSA-N 251.439 4.591 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncnc2sc(C)cc12 1651237759 YQJYZLWBTKZATK-OCCSQVGLSA-N 287.432 4.547 30 10 CJEE CCCCCCCCN1CC[C@@H]1c1cccc(F)c1 1652639988 FLHFSBVQHHNFDQ-QGZVFWFLSA-N 263.400 4.933 30 10 CJEE C#CCCCCCCOc1ccc(C(C)=O)cc1Cl 1656473754 FLGISDKOORCCEG-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE C=CCC[C@@H](CC)N[C@H](CC)CCc1ccccc1 1658559301 IAUUTNNKDDMXRX-QZTJIDSGSA-N 259.437 4.732 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCCOc2cc(F)ccc21 1658619853 GPAZCGHXSITPCA-YOEHRIQHSA-N 291.410 4.764 30 10 CJEE C#Cc1ccc(N[C@H]2CC(C)(C)CC[C@@H]2C)c(Cl)c1 1660811049 MZHWMAOXJUBYRN-LRDDRELGSA-N 275.823 4.948 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(F)c(Br)c2)C1 1661962568 CISGNROSAOTAPN-QWRGUYRKSA-N 298.199 4.745 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C=C 1664102103 LRFSDJJWPAPDBB-UHFFFAOYSA-N 298.430 4.930 30 10 CJEE C=CCCN(CC[C@@H]1C[C@H]1C1CC1)Cc1ccccc1 1877282223 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284.230 4.578 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C1C[C@@H](C)C[C@H](C)C1 2321132759 AUPDLLKLYDYZQG-DIECFANBSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC[C@@H]1CCC(C)(C)C1 2321605671 NZPRJZYYKIHSIK-INMHGKMJSA-N 251.458 4.913 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1 2323943527 OIHUJUPAMWKSLA-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1cccc(SC(C)C)c1 2327778439 PNRRWCZPWULVDP-BBRMVZONSA-N 263.450 4.660 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2CC[C@@H]3C[C@@H]32)CC1 2329153345 KBGMKTBDVCKZOE-ZJPYXAASSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@H](NCCC)C[C@H]2CCCC[C@@H]12 2335195589 YCYADQBNOXUIJJ-UTSKFRMZSA-N 281.509 4.631 30 10 CJEE C=CC1(COc2ccc(CC(F)(F)F)cc2)CCC1 2336765039 SSMAUNJFTZBNME-UHFFFAOYSA-N 270.294 4.527 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c(C)c1 2337066893 CFYIBICBXCIVAD-XYJFISCASA-N 257.421 4.699 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(F)cc1C 2337079157 MDJIKUOGNXBQBK-JKIFEVAISA-N 261.384 4.530 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1 2337104208 NBWWGZVMLBKDMD-RISCZKNCSA-N 269.310 4.862 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@]12CCCC[C@@H]1C2 2338735228 JPOZQDLOKCAIFV-SQNIBIBYSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCCC)CCS[C@@H](C)C1 2338744054 KZCPOQJBCDBCKX-RDJZCZTQSA-N 281.509 4.656 30 10 CJEE CC(C)[C@H](C)[C@@](C)(O)[C@]1(C#N)CCCC(C)(C)CC1 2340259791 CWXWNUBBPRTQDQ-USXIJHARSA-N 265.441 4.530 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1csc(C(C)(C)F)n1 2344349599 UWZSCGIFBXTTAR-LBPRGKRZSA-N 284.444 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(C(F)F)c1 2344354851 CRNOBJALBCRJIR-GOEBONIOSA-N 267.363 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@]1(C)CC1(F)F)NCCC 2344380517 ZVWDDMAJEMRNOQ-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE Cc1ccsc1[C@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@H]21 13645602 OEDUUOSGYKPLKO-VBQJREDUSA-N 292.407 4.755 30 10 CJEE N#Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 19887294 UKEDGDGINXCQRS-LZLYRXPVSA-N 290.341 4.524 30 10 CJEE N#Cc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 36886823 NJUTXBVSGUIDSJ-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE Cc1ccc(S[C@@H]2CCCCC[C@@H]2C#N)c(C)c1 37154862 CCTCTPHKSFKIJC-GDBMZVCRSA-N 259.418 4.868 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc2c(c1)CCC2 37156466 WQYZTSNOOLCIDD-DOTOQJQBSA-N 271.429 4.740 30 10 CJEE Cc1ccc(NC2(C#N)CCC(C(C)C)CC2)cc1 54557247 AOGVMXQNRHZUOM-UHFFFAOYSA-N 256.393 4.516 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](N)c1ccc(C)cc1 59083787 JVGCLRATRMGFNT-FUHWJXTLSA-N 277.452 4.760 30 10 CJEE CCCCCCCOCC(=O)c1coc2ccccc12 59526007 DVYRRJYVJHGMDD-UHFFFAOYSA-N 274.360 4.603 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(CC/C(C)=N/O)cc2)C1 71150002 FCPMRCBATWVWHD-OZQOASMWSA-N 289.419 4.817 30 10 CJEE COc1c(CCCCS)cc(C)cc1C(C)(C)C 71598692 WCFCFAMQDYGIKA-UHFFFAOYSA-N 266.450 4.554 30 10 CJEE CCN(CC)c1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1 82252331 HFGXAQCDQLPDPG-XSFVSMFZSA-N 295.430 4.596 30 10 CJEE CCc1ccc(OC)c(C(=O)/C=C/c2sccc2C)c1 83193970 XSTABTYRXUKHLT-SOFGYWHQSA-N 286.396 4.524 30 10 CJEE CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86900374 MBQPFHRCFVQHAO-DAYGRLMNSA-N 270.420 4.568 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC(C)(C)OC1(C)C 94423863 OUQGCEGUEKVZRQ-HNNXBMFYSA-N 291.460 4.723 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cccc(C3CC3)c2)CC1 94525937 GCSZKTOBFPCOAX-KRWDZBQOSA-N 283.415 4.708 30 10 CJEE CC(C)(C)[C@@H](CS)COc1cccc(Cl)c1Cl 94584099 FTZRYMXHJAOXSB-SECBINFHSA-N 293.259 4.964 30 10 CJEE CCCCCCCCNCc1ccc(Cl)s1 105932126 SYMFHURPEQCCQZ-UHFFFAOYSA-N 259.846 4.852 30 10 CJEE CCCCCCCCCCCCN1CC[C@@](C)(C(=O)O)C1 109067779 SYDWPMNMXZOEES-GOSISDBHSA-N 297.483 4.704 30 10 CJEE CCCCCCCCO[C@@H]1CCCC[C@@H]1NCCC 110070198 GVQLTJGIZWSUNO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCN(c1c(C#N)cnc2ccccc12)[C@H](C)CC 110256485 HWQGDRVOAPASKC-CQSZACIVSA-N 281.403 4.511 30 10 CJEE CCCCCCCCCn1cc([C@H](C)NCCC)cn1 110267884 QTNXWCJQLGZDNA-INIZCTEOSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCn1cc([C@H](CC)NC)cn1 110267888 GBSOPXINIACUOL-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C)cc1/C(C)=N/O 111780332 NNIUUQSTYFSJKF-NBVZEGQWSA-N 275.392 4.541 30 10 CJEE CCCCCCCN1C[C@H](C2CCCCC2)NCC1(C)C 114073694 QYHLSJSSTJIOOZ-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCOC(C)(C)C1 114876179 FPUSUCYCMODZJM-QGZVFWFLSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](O)C1(C#N)CCC(CC)CC1 118274083 IAMZQXMZLFKEQM-CGZBRXJRSA-N 265.441 4.818 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccccc1C(F)(F)F 125660783 AVNTZJPTKFCGGE-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](CCC)OCC 126419993 ZQCRXTBBDDFKRG-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCC[C@@H](CSCC)NN 126595924 YWOUNBAVSBFVLO-INIZCTEOSA-N 288.545 4.882 30 10 CJEE CSc1cccc(NC[C@@H]2CCCC[C@@H]2C)c1C#N 127027592 QXQURADCYFLVLM-STQMWFEESA-N 274.433 4.518 30 10 CJEE C#CC[C@H](CC)N[C@H](c1ccccc1)C1CCCCC1 129812190 WKVCGBHNTFXRQO-RBUKOAKNSA-N 269.432 4.700 30 10 CJEE CCCc1ccc(Oc2ccc(C#N)c(C)c2)cc1 133515130 CIUOAAFMUWSNPK-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE C=CCC[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 156322805 QPDHBCBPWANABS-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](OCC)c1ccccc1 158392184 QMWDOYXJVUZDDH-MSOLQXFVSA-N 278.436 4.876 30 10 CJEE N#Cc1cc(Sc2ccccc2F)ccc1C(F)(F)F 164511181 FKSJWIGVVJRRMW-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)c2ccccc2O1 164743411 YIQWVKSCFWVNSM-QGZVFWFLSA-N 260.377 4.771 30 10 CJEE CC(C)(C)c1ccc(CNc2cccc(C#N)c2)s1 165860142 PECBSKNMGWBZAJ-UHFFFAOYSA-N 270.401 4.529 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCO[C@@H]1C1CC1 166026645 DQKPQYDCNCOJAT-AEFFLSMTSA-N 296.451 4.787 30 10 CJEE CCCCCCCCCC[C@@H](O)CNc1ccccc1 196185963 RJSIXMKTNAZKKZ-GOSISDBHSA-N 277.452 4.990 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccccc2C(C)C)cc1 206336943 HZKPATBYVOVDNE-SEYXRHQNSA-N 279.383 4.927 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 218442720 NAMBCGAMDAKBTG-ONERCXAPSA-N 298.213 4.747 30 10 CJEE CCCCCC(C)(C)CNc1cc(F)cc(C#N)c1 227624269 VWEPEWBUMYLAEC-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccncc2)C1 227796718 UAVNZKPLGQBOHV-LZWOXQAQSA-N 288.460 4.918 30 10 CJEE C=C[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 229321398 GVFVATABAJUXFH-RNCFNFMXSA-N 258.192 4.609 30 10 CJEE C=C(CS)CSc1cc(Cl)ccc1Cl 231635747 YCWGKKDTHHIEKM-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE CC(C)(C#N)c1nc(-c2cccc(Cl)c2Cl)cs1 232490070 BERAEWLWWYLLIU-UHFFFAOYSA-N 297.210 4.918 30 10 CJEE CC(C)CCCCCCN[C@@H]1CCCCC[C@H]1C#N 232540230 ULTFRVLQCCOXEW-DLBZAZTESA-N 264.457 4.655 30 10 CJEE CCCCCCCCC[C@@H](NN)c1c(C)cccc1C 232937636 WALUIWBKPORONH-QGZVFWFLSA-N 276.468 4.949 30 10 CJEE C=CCCCCCOc1ccc(F)cc1[C@@H](C)NCC 233593090 PYFRRYSYPKQTFJ-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=CCCCCC[C@@H](NCC)c1sccc1C 233610940 SDRCLODIWUQULG-CQSZACIVSA-N 251.439 4.844 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)cn2)c2ccccc12 236074311 ITJKNWJWHREXLE-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CO[C@H](C)C1 253051533 VIQGQSJKTWCNGY-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE Cc1ccc(C=NNc2ccc(C(F)(F)F)cc2)s1 254833221 BUNUQZWXHCIRQN-UHFFFAOYSA-N 284.306 4.521 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CC2CCC1CC2 311172722 RRUAYFNNPDZZKY-BACDZXNISA-N 251.458 4.891 30 10 CJEE C=C(CC)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 313484316 PVGJWQNVEJAEPA-SECBINFHSA-N 276.182 4.749 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCCCO1 315114696 WFMUGIPWXZYDEO-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccc(Cl)cc1Cl 317267722 PLTLJFJFMVJPFW-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CCCCCCCCC[C@H](NN)C1(CCC)CC1 380706904 YWYHXIOFZTURTN-HNNXBMFYSA-N 254.462 4.539 30 10 CJEE C=CC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 382497268 JTTZSYPDAQHVRE-CWLKWCNXSA-N 257.421 4.513 30 10 CJEE C[C@@H]1C[C@@](C#N)(Nc2ccccc2Cl)c2ccccc21 383826181 IECCMQUSMNHXPD-PXAZEXFGSA-N 282.774 4.678 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1CC(C)C 388032938 PURONMQGOBAWHB-ZACQAIPSSA-N 268.489 4.641 30 10 CJEE N#C[C@H](CNc1ccc(Cl)c(F)c1)C1CCCCC1 397097779 BTBLMSAJKOAXJY-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE Cc1ccc(Cl)cc1NC[C@@H](C#N)C1CCCCC1 397160867 VFDUTFRSMXIDPO-CQSZACIVSA-N 276.811 4.780 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2 398089798 XCSPPKQZKCSTGP-CENPTBCRSA-N 275.480 4.926 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CCOC1)NCC 400964359 JUMZZBXITFRFCO-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 464654300 DSRZIEXIGYXENO-QXAKKESOSA-N 299.458 4.774 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 466425092 IMMFZIOVRIYNCF-LNLFQRSKSA-N 299.458 4.897 30 10 CJEE N#Cc1ccc(-c2cccc(OC(F)(F)F)c2)c(Cl)c1 514258788 ZIJFIZQNYCVSAF-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE N#C[C@@]1(CC2(c3ccccc3)CCCC2)CCCS1 686732034 IAWCLOQHABHFEK-KRWDZBQOSA-N 271.429 4.678 30 10 CJEE CC(C)CC(C)(C)C/N=C1/NC2(CCCCC2)CCS1 687319053 WCKHSEVCDKVGOM-UHFFFAOYSA-N 296.524 4.844 30 10 CJEE C=CCSc1ccccc1NCC1(CCC)CC1 687561092 QDWIVPZTYOVSJI-UHFFFAOYSA-N 261.434 4.957 30 10 CJEE CO[C@@H]1CCC[C@H](C2(C=O)CC(C)(C)CC(C)(C)C2)C1 688279036 DUFDAHMQZJWKDF-LSDHHAIUSA-N 280.452 4.613 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)c1ccc(C#N)cc1Cl 691055402 MQHHSKYCHHFRNP-IUODEOHRSA-N 276.811 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CSCc2ccccc21 692234788 MGKDBOTXBVMYCZ-FHLIZLRMSA-N 287.472 4.699 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncnc(Cl)c1CCC 692241325 HVMWRSKPQLQDAU-GXTWGEPZSA-N 293.842 4.629 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@]1(C)OC 694320569 FIKLAKPLGLKVFV-SJORKVTESA-N 269.473 4.674 30 10 CJEE CSc1cccc(NC[C@H]2CCCC3(CC3)C2)c1C#N 695773404 ROXGEVKMQWXJET-ZDUSSCGKSA-N 286.444 4.662 30 10 CJEE CCCCCCC[C@H](NCCC)C1(C(F)F)CC1 700029609 VQLQRBGYCAKVNR-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](C)Oc1ccccc1 700708163 JCBFROPZKKWTPC-FUHWJXTLSA-N 277.452 4.922 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1/N=C1/N[C@H](C(C)(C)C)CS1 703728155 XKOQUBTZRQJYHE-TUVASFSCSA-N 296.524 4.554 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccsn1 705332258 UMLJCMZKYRLUSF-AWEZNQCLSA-N 255.427 4.707 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)c(N)cc1C 709353365 GHDHLWYTADICLI-SWLSCSKDSA-N 278.827 4.777 30 10 CJEE N#Cc1ccc(Nc2ccc(SC(F)F)cc2)c(F)c1 709678547 MKIVZMFFXPFJCI-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE N#Cc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 710177418 AXNCOTOXKRRGLT-HIFRSBDPSA-N 274.795 4.592 30 10 CJEE C#CCCCCC[C@H](C[C@H]1CCCC1(F)F)NCCC 714003162 JKQFMGMYTLOFLE-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1c(C)cccc1Br 715723040 XKMNQSGYLCPWSL-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1(OCC)CCCCCC1 715755814 ZXZBBTVIRSGSLT-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cc(C(F)F)ccc21 717665523 HYRFVWVKZNJKAJ-UHFFFAOYSA-N 296.386 4.964 30 10 CJEE CC(C)C(C)(C)CSCCCOc1cccc(C#N)c1 718820591 AWTHAVUVPPAWAK-UHFFFAOYSA-N 291.460 4.743 30 10 CJEE COc1ccc(N=Cc2cccc3ccccc23)cc1 725274063 BTMKCBKTOQNRBX-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE CC(C)(CC(F)(F)F)C[C@]1(C#N)CCc2ccccc21 822147899 PJWSOEWYYSLIAU-HNNXBMFYSA-N 281.321 4.763 30 10 CJEE C#CCC1(C(=O)Nc2ccc(Cl)cc2C)CCCCC1 1124382229 UXAZISJSXSSTBM-UHFFFAOYSA-N 289.806 4.561 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)C(C)C 1129234714 XZCQMMFFSLHOGP-KRWDZBQOSA-N 293.495 4.948 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@]1(CC)Cc1ccccc1 1130988471 IBXSTGUBNZKBAR-HXUWFJFHSA-N 299.458 4.603 30 10 CJEE C=CCOc1ccc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)cc1 1181689366 ZTGMVMGJFFJBFB-GPMSIDNRSA-N 287.447 4.556 30 10 CJEE C=CCCC[C@@H](C(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 1289517060 KGRAYIYPBNOMSE-GUDVDZBRSA-N 297.442 4.528 30 10 CJEE C=C(C)c1cccc(NCc2c(Cl)n[nH]c2C2CC2)c1 1308543411 IKRSDWQYWOZAIQ-UHFFFAOYSA-N 287.794 4.586 30 10 CJEE C#CCCCCCCNCc1ccc2sccc2c1 1308802957 QDRAJPRIOOIWLD-UHFFFAOYSA-N 271.429 4.575 30 10 CJEE C#Cc1ccc(CN2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 1308847863 NQCBUCQKRNXKDS-OAQYLSRUSA-N 299.417 4.561 30 10 CJEE C=CCC(F)(F)C(=O)Oc1ccc(CC)cc1C(C)(C)C 1350533106 GMCMCWBBKUPCSC-UHFFFAOYSA-N 296.357 4.663 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCC[C@@H]2CC)CCCCC1 1353109222 TWNXLDCTSXQLJZ-JKSUJKDBSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)NCCCCCCCC)CCCCC1 1458035326 VEVFKOSCAMJTGT-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C=CCCCC(=O)NC(C1CCCCC1)C1CCCCC1 1462423645 YGMMLZSYIZNMLS-UHFFFAOYSA-N 291.479 4.988 30 10 CJEE C=CCCCN(CC)C(=O)N[C@H]1CCC[C@@H]1CCC(C)C 1468583095 YTNUBWUDDPJVQG-SJORKVTESA-N 294.483 4.589 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CCN(CC)[C@H](C)C1 1473210068 BXZSRNCZAIIHHO-QZTJIDSGSA-N 282.516 4.542 30 10 CJEE C=CCCCN(C1CC1)[C@H](C)c1ccc(Cl)cc1 1473229286 RLHNIIORJHTVHD-CYBMUJFWSA-N 263.812 4.832 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(C)C 1539320824 RVNHPDCVROOORA-MOPGFXCFSA-N 299.458 4.774 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc2ccc(F)cc2o1 1559235128 JXPFFAIPAUGJBV-WCQYABFASA-N 274.339 4.514 30 10 CJEE CCCCCCCCCN(C)Cc1ccc(C)nc1 1559496043 BLULYRRBKXHAMB-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE CCCCCCCCCN1CCC([C@@H]2CCCO2)CC1 1559761205 LFNRDZLWZYSCOG-SFHVURJKSA-N 281.484 4.628 30 10 CJEE C=C[C@@H]1CCCCN1CCCOc1cccc2ccccc12 1559799468 ZUPXEHLQYKUJIR-GOSISDBHSA-N 295.426 4.649 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CCCCCC 1563478447 AAERWRXTWDTZSL-GVDBMIGSSA-N 294.483 4.779 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@](C)(CCC)C1 1565302813 TZMLAHFBCPSLCA-SFHVURJKSA-N 294.483 4.591 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H](CC)c1ccccc1 1587776427 MCVHTBCGSFBNKG-MRXNPFEDSA-N 287.447 4.679 30 10 CJEE COc1ccc2cccc(C3(C#N)CCCCC3)c2c1 1614663032 JALWUAXVUGTRCY-UHFFFAOYSA-N 265.356 4.574 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cccc2c1CCCCC2 1618332497 MFAVVISNDSYPPM-KRWDZBQOSA-N 297.442 4.526 30 10 CJEE CCCCCCCCCCN[C@H]1CCOC12CCCC2 1620650839 MIHFAJDBLSAYSR-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C=C(C)CN(CC)Cc1ccc(Cl)c(C)c1Cl 1621213545 KFYGFZLXRSCMDM-UHFFFAOYSA-N 272.219 4.700 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(Cl)c(CN(C)C)c2)C1 1621287886 PBJNDPIFKBRBHE-DZGCQCFKSA-N 292.854 4.558 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cccc2c(C)c(C)[nH]c12 1637455618 VMUXELUXYIMGQP-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)c2ccsc12 1640149774 RBZVYOOQWVSJTD-DOMZBBRYSA-N 297.427 4.715 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 1643291923 KXSAHJGRBCNDSY-MRXNPFEDSA-N 295.357 4.611 30 10 CJEE C=CCN(CCc1ccco1)C[C@@H]1CCC[C@H](CC)C1 1652018065 DAOFMBKOTWLFAH-DLBZAZTESA-N 275.436 4.527 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@@H](C)c1ccccc1 1652321557 TVQVTKMWDHTOTL-SJLPKXTDSA-N 259.437 4.905 30 10 CJEE C#C[C@@H](N[C@@H](CC)CCCC)c1ccc(Cl)cc1 1652580647 POGAYLYCUXGJEL-JKSUJKDBSA-N 263.812 4.573 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)CCSc1ccccc1 1654304168 PHKMSSHJTQYYFC-ZACQAIPSSA-N 287.472 4.740 30 10 CJEE C=CCCCN1CCC[C@@]1(C)Cc1ccc(F)c(Cl)c1 1654532214 KOVAPUULKGCUEQ-KRWDZBQOSA-N 295.829 4.842 30 10 CJEE C=CCCCCCCCN[C@H]1CCC[C@@H](SC)C1 1656367169 ZFHKRKNSFPSNBN-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE C=CC(C)(C)CCCNC/C=C\c1ccc(F)c(F)c1 1656906685 XIEIJGJJTMZJBG-ALCCZGGFSA-N 279.374 4.560 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(Cl)c(OC)c(OC)c1 1658453585 KRHODRVQWNSVQN-LBPRGKRZSA-N 297.826 4.904 30 10 CJEE C=CCC[C@H](CC)NCc1ccccc1CC(F)(F)F 1658673140 VUINCLUVPCOFMF-HNNXBMFYSA-N 285.353 4.626 30 10 CJEE C=CC[C@@H]1CCCN(CC[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 1659352554 NIZLEZKGYHZHHB-XDNAFOTISA-N 263.469 4.737 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(CC(C)C)nc1 1662857986 XCQULILOBYFZDJ-HKUYNNGSSA-N 286.463 4.505 30 10 CJEE C=CCCCC[C@H](C)NCc1cccc(CSC)c1 1664368870 IXJYLFJGTPXZHA-HNNXBMFYSA-N 277.477 4.774 30 10 CJEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(F)cc1 1874583688 AOXMXJNWWCJMGB-FMIVXFBMSA-N 296.341 4.677 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](CC)COC 1879037749 XASDRILJJXZGLK-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCC[C@H](CC)N=C1N[C@]2(CCC[C@H](C)C2)CS1 1879350338 HNCSDTPQJJSDFY-DZKIICNBSA-N 282.497 4.597 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCCC2(CC2)C1 1879781390 VPCZIRIFFDOVSV-DOMZBBRYSA-N 274.795 4.614 30 10 CJEE C=C(CN1CCCC[C@@H](CCC)C1)c1ccccc1 1883360351 RUPXCOVDYVFLPL-QGZVFWFLSA-N 257.421 4.602 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(F)cc1Cl 1885237432 PGZIXHDHVHBQIF-INIZCTEOSA-N 281.802 4.713 30 10 CJEE CC#CCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCCC 1885237813 QYOMFSMONVYREM-KURKYZTESA-N 263.469 4.622 30 10 CJEE C=C[C@@H](C)C[C@H](O)c1ccc(OCc2ccccc2)cc1 1886859151 PBGYTQGJYYLFMT-BEFAXECRSA-N 282.383 4.511 30 10 CJEE CCCN(C1CCCCCC1)[C@H]1CCCC[C@@H]1C#N 1888619206 WFXYECHIPBDCQE-WBVHZDCISA-N 262.441 4.504 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1CCC1(C)C 1888710707 AJSSFKQSOLFHBB-IRXDYDNUSA-N 257.421 4.504 30 10 CJEE CCC(C)(C)[C@@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 1889953214 MXQMVUIQVDVNLW-QGZVFWFLSA-N 296.455 4.598 30 10 CJEE C=CCCC[C@@H](O)c1cc(Cl)c(C(F)F)s1 1903511004 VHIWBOZBVNDOSL-MRVPVSSYSA-N 266.740 4.729 30 10 CJEE CCCCCCC[C@@](C)(N)Cc1ccccc1CC 1919504375 ITTCSURPNHCXSG-GOSISDBHSA-N 261.453 4.869 30 10 CJEE C=CC[C@H](C)[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 1919550247 GQTFMNFSIVPRSK-ISVAXAHUSA-N 277.166 4.552 30 10 CJEE C=CCOc1ccc([C@H](O)C[C@H]2CCC[C@H](C)C2)cc1 1920024223 PRSRSYYRBBDHSM-RLFYNMQTSA-N 274.404 4.501 30 10 CJEE C=C(C)CC[C@@H](C)n1c(S)nc2c(OCC)cccc21 1925044433 SEGXVGKAKLFMLD-GFCCVEGCSA-N 290.432 4.641 30 10 CJEE CCC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C(F)(F)F 1925713803 VCDOEIOFQSTDMC-CYBMUJFWSA-N 284.325 4.631 30 10 CJEE O=C[C@]1(C[C@@H]2C=CCCCC2)CCCc2ccccc21 1925888647 HGPZEECMVJJKMF-VQIMIIECSA-N 268.400 4.596 30 10 CJEE CCCCCCCC[C@@]1(N)CC[C@@H]1OCc1ccccc1 1934880410 GZRTZIPDLDSCNL-RBUKOAKNSA-N 289.463 4.814 30 10 CJEE C#CC(C)(C)c1c(Cl)cccc1SC(C)C 1952449356 QNGHNBJWRUENNS-UHFFFAOYSA-N 252.810 4.751 30 10 CJEE C=CC1(CN(Cc2ccccc2)CC2CCC2)CCC1 1953898959 CHLUHCYUMIWLTO-UHFFFAOYSA-N 269.432 4.645 30 10 CJEE C[C@@H](CSC(C)(C)C)Nc1ccc(C(C)(C)C#N)cc1 1970317645 DJTCOKVNNKQMCX-ZDUSSCGKSA-N 290.476 4.820 30 10 CJEE C[C@@]1(CNc2ccc(Cl)cc2C#N)CCCCC1(F)F 1973200276 WAOTZNGVPUXVJN-AWEZNQCLSA-N 298.764 4.839 30 10 CJEE CCCCCCCCCCCCN=S(C)(C)=O 2019334845 LXVLENNGZOOLLN-UHFFFAOYSA-N 261.475 4.635 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(CC)s1 2019862509 WJYZZKURQYAMQA-OAHLLOKOSA-N 251.439 4.621 30 10 CJEE CCCCCCCCCCN(C)CP(C)(C)=O 2021412158 IAHLPIFRDKVQJC-UHFFFAOYSA-N 261.390 4.639 30 10 CJEE CCCCC#CCC(=O)c1cccc(C)c1Br 2024418874 PNSFYULVSHMKRN-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE C=C(Cl)CC(=O)c1ccc(-c2ccccc2)s1 2025571451 ZIRHZRNREOGDBA-UHFFFAOYSA-N 262.761 4.740 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](SC2CCC(F)(F)CC2)C1 2028246807 PCYANPRLJULLJJ-NTZNESFSSA-N 273.392 4.626 30 10 CJEE CCCCCCCCCC(=O)[C@@H](CC)CCOC 2034518431 UKXGIENLIMPTEV-HNNXBMFYSA-N 256.430 4.759 30 10 CJEE CCCCCCCCCNC[C@@H]1CCC[C@H](F)C1 2034972581 ZGDZAZCEXBWFPG-CVEARBPZSA-N 257.437 4.855 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CC[C@H]2C[C@H]2C1 2037060897 MFXDQUBFJMTUQT-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE C=C[C@@](N)(C1CCC(C(C)(C)C)CC1)C(C)(C)C 2037197705 CPQGUIJBPMQIFT-MQBCKMQZSA-N 251.458 4.769 30 10 CJEE C=CCCCCC[C@H](NC)c1c(Cl)cncc1Cl 2045635250 KEQCCKMLJVCVHS-ZDUSSCGKSA-N 287.234 4.785 30 10 CJEE C=CCC[C@@H](C)NCc1sc2ccccc2c1Cl 2048234364 IVBPBDRUKGLKHU-LLVKDONJSA-N 279.836 4.999 30 10 CJEE C=C[C@H](C)[C@@]1(CNCC(C)C)CCCC(C)(C)C1 2049500289 BUCYQRRUCHPVMA-RDJZCZTQSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@H](N)C1CC(CC2CC2)C1 2050213993 SEAMFEAKDGPERK-JCYILVPMSA-N 251.458 4.891 30 10 CJEE C=CCCCCC[C@H](NCCC)c1sncc1C 2051400733 LXQPCSOUQKIOEC-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE C=CCCC[C@@H](NCC)c1c(Cl)ccc(F)c1F 2052910790 UCIVFUYPVDNNDB-GFCCVEGCSA-N 273.754 4.625 30 10 CJEE N#C[C@H](c1c(F)cccc1Cl)[C@@H]1CCCC[C@H]1F 2055234558 IOOSTSZKLSGGGX-JBLDHEPKSA-N 269.722 4.615 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2cc(C)sc2C)cc1 2057105186 KNEKZDVHKIMSTB-LBPRGKRZSA-N 255.386 4.519 30 10 CJEE C=CCCC[C@H]1CCC(C)(C)CC[C@H]1NCCC 2059004412 XEBUDLKHRXIHMG-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CC[C@](C=O)(C[C@@H]1CCC[C@@H]1C(F)(F)F)C(C)C 2064512784 SAXBQVCDQXWSQS-RWMBFGLXSA-N 264.331 4.606 30 10 CJEE CCCCCCCCCN1CCS[C@H]2CCC[C@H]21 2074945964 SZSCNYNPCJFQCW-CVEARBPZSA-N 269.498 4.707 30 10 CJEE C=CCCCCCN(CC(F)(F)F)C1CCCC1 2075114225 KMTFXCFVCFFZJJ-UHFFFAOYSA-N 263.347 4.540 30 10 CJEE C=CCCCCC[C@]1(O)C[C@H](C)CC[C@H]1C(C)C 2075708177 ZVYQOUDJGSWJQQ-IKGGRYGDSA-N 252.442 4.946 30 10 CJEE CCCCCCCCN(C)C[C@H](CS)C1CCC1 2075944622 DRRFFJQIEXCKLF-MRXNPFEDSA-N 271.514 4.625 30 10 CJEE CCCCCCCCCCCCn1cc(F)cn1 2077276188 YFBILJQFMNCQQJ-UHFFFAOYSA-N 254.393 4.943 30 10 CJEE CCCCCCCN[C@@H]1C[C@@H]1C1CCCCCC1 2079529561 NMWPKNYATASNHT-IAGOWNOFSA-N 251.458 4.905 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H](CC)CC(C)C 2083411456 QEYZPSPZGNTWIZ-SJORKVTESA-N 251.458 4.621 30 10 CJEE C=CCCCCCCNCC[C@H]1CCC[C@@H](C)C1 2085845153 TYPUYFPNCXAXCF-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CCCCCCC[C@@]1(O)CCCC2(CCC2)C1 2085856829 REDWOUSMBRABGP-QGZVFWFLSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCCC[C@](C)(N)C(F)(F)F 2086260525 AMDJBTMEMHFBSM-ZDUSSCGKSA-N 265.363 4.963 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1C[C@H]1C(F)F 2086263151 DRAXIIKYKSTWRD-MJBXVCDLSA-N 260.368 4.555 30 10 CJEE C=CCSc1ccccc1N[C@H](C)[C@H]1CCCSC1 2089923786 QVJIMCMJRZONHB-KGLIPLIRSA-N 293.501 4.908 30 10 CJEE CCSc1cccc(N[C@H](CC)[C@H]2C[C@H]2C)c1C#N 2090357587 ZXNODKXQBSRIHI-MBNYWOFBSA-N 274.433 4.517 30 10 CJEE C[C@@H]1CC(=O)C=C(C[C@H]2CCC[C@H](C(F)(F)F)C2)C1 2092668062 BEYRGJVQMJEYTO-LOWVWBTDSA-N 274.326 4.671 30 10 CJEE N#Cc1cc(Cl)ccc1NC1CC(C2CCCC2)C1 2094870957 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30 10 CJEE CCCCCCCCCCCCOCCCC(=O)OC 2239493863 XNONXWIBPJFHBO-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1csc(C2CCC2)n1 2240142534 TWKVJJPNEILMHU-SUMWQHHRSA-N 292.492 4.534 30 10 CJEE N#CC1(C[C@@H]2OCC[C@H]2C(F)(F)F)CCCCCCC1 2240552485 VBJMOOWPHLSYHE-OLZOCXBDSA-N 289.341 4.598 30 10 CJEE CCCCCCCC[C@@](C)(CO)Nc1ccc(F)cc1 2240572676 ILUNZEUHZDYTIR-KRWDZBQOSA-N 281.415 4.739 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(Cl)nc2Cl)C1 2258722564 TUOXDTSOIWUPBV-IINYFYTJSA-N 283.202 4.651 30 10 CJEE C=CCCCCCCCSCCCCNC1CC1 2258985129 IEBABYJPTXBSBR-UHFFFAOYSA-N 269.498 4.778 30 10 CJEE C=CCCCCCC[C@H](O)c1csc(C)c1OC 2259128107 LFQWIVWDWIGGBD-AWEZNQCLSA-N 268.422 4.625 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CC[C@H](C)C1 2259172588 RKFNYQKKWKVCPB-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)Oc1sc(CNC(C)(C)C)c(C)c1C 2265924901 IDLYWAGLPGYTFM-NSHDSACASA-N 281.465 4.596 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@H]2CC(F)(F)C23CCC3)CCS1 2266260624 NWKHFLVFJSIXOZ-FRRDWIJNSA-N 285.403 4.627 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)CC 2268742218 LDWWECDOIJGXHV-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CCC[C@H]1CCC(=O)[C@@H](CC=CC#CC(C)(C)C)C1 2268752696 NQWRSDPFQIJUPK-HOTGVXAUSA-N 260.421 4.768 30 10 CJEE C=CCCCS[C@@H]1CC2(CCC2)CC[C@@H]1NCCC 2271485736 PZZSLCSQAOWRFX-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE C=CCCCCCCCSCc1c[nH]c(=N)c(C)c1 2271589606 GZLQEABVWOOPNJ-UHFFFAOYSA-N 278.465 4.562 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@]1(C#N)CCCCC12CC2 2271626712 SSQJGZWQAMIRDS-YOEHRIQHSA-N 263.425 4.692 30 10 CJEE C=CCCC[C@H](NCC)c1cc(F)cc(C(F)F)c1 2271728779 WHFWAIHMXVPVPH-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE C=CCC[C@H](C)[S@@](=N)(=O)C1CC2(C1)CC1(CCC1)C2 2273932712 ROFPEFHRMSIRAY-ORAYPTAESA-N 281.465 4.501 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)CC[C@@H]1C 2276635300 QLVUWRUIXZADJV-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C1(Cl)CC1 2277358323 QVKABBYZBSBZLJ-OAHLLOKOSA-N 289.891 4.633 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CO[C@H](C)[C@H]1C 2278233448 HPYWTZGIJKUUCE-YLFCFFPRSA-N 269.473 4.529 30 10 CJEE CCCC[C@H](CC)CSc1cc(C)nc(C)c1C#N 2278326004 XYEDRFTYVQMRKR-AWEZNQCLSA-N 276.449 4.879 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)CCC12CC3CC(CC(C3)C1)C2 2279868879 ULYFOBIXGXUMNT-WDBGBQIDSA-N 274.448 4.988 30 10 CJEE C=CCCC[C@H](C)N[C@H](CCC)c1ccc(OC)cc1 2283586976 NZBURQZDZLRONT-MAUKXSAKSA-N 275.436 4.871 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2284106486 HUSHKYOXQFKBNL-FVQHAEBGSA-N 272.432 4.768 30 10 CJEE C[C@@H]1C[C@@H](N(C)CC=CC#CC(C)(C)C)CC(C)(C)C1 2284138473 BOTFHOSMPUZWBD-IAGOWNOFSA-N 275.480 4.739 30 10 CJEE CCCCCCCC[C@](C)(N)c1cnc(C)n1C(F)F 2284784925 OTASBXNUWMBXPA-HNNXBMFYSA-N 287.398 4.511 30 10 CJEE CC(C)N[C@](C#N)(CCCSCCC1CCC1)C(C)C 2285655759 NVYDSKMLGYBEOD-KRWDZBQOSA-N 296.524 4.606 30 10 CJEE CSc1cccc(Nc2cc(C)c(C)c(C)c2)c1C#N 2286127293 VUZLDKWWMSRTLC-UHFFFAOYSA-N 282.412 4.949 30 10 CJEE C=CCCCSC[C@@H](NCC)c1cc2ccccc2o1 2287066439 WSBCXQKMUGPDOM-OAHLLOKOSA-N 289.444 4.783 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cnc(F)cc1C 2287374633 HLJCRTDFLIOYTG-INIZCTEOSA-N 278.415 4.706 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCC[C@@H](C(C)C)CC1 2287376369 CZFKAPZOMGQDNL-AEFFLSMTSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCOCC[C@H]1CCCC[C@@H]1O 2288736677 SRANNHCLJQGCNN-MSOLQXFVSA-N 282.468 4.861 30 10 CJEE CCCCCCCOCC[C@H]1CCCC[C@@H]1NCCC 2288864009 ZMSYWXZSXQFWET-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC(C)(C)c1ccc([C@H](N)C#CC2CCCCC2)cc1 2289692355 HLIVOELVGAYXBX-GOSISDBHSA-N 269.432 4.568 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@@]1(C)CC[C@H](C)C1(C)C 2289792697 ZHAHNJVIMCUXCH-KVSKMBFKSA-N 275.480 4.621 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2ccc(C#N)cc2F)C1 2290277708 CEEHQBBSLGNWJZ-OAHLLOKOSA-N 274.383 4.714 30 10 CJEE C=CCCCCCC[C@@](CC)(CC1CC1)OCCCN 2292768647 LPZOCKFRVJSOHG-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C1(C)CCCCCC1 2293131377 ATRNBPFHFIQGPO-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@H](OCCCN)[C@@H](C)C1CCCCC1 2293268256 HVERKJNXUJMFHX-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCCC[C@H](OCCN)C1CCC1 2293591143 ZMFZNCHGSTVFJQ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C1CCC1 2293646872 FXQWQIRGLWYNAW-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H](C)[C@H](C)C1 2293651348 IOLQYOPQVOLKBN-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H]1CC(C)C 2293684949 XNOMRMVHFTXADN-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE C=CCCC[C@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2293899848 ZMHPIFKGHQFQMH-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)c1nc(C)sc1C 2294353812 BVGZECLZAREHQQ-HNNXBMFYSA-N 298.496 4.527 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CCCC[C@@H]1C 2294355854 LAEPDTWGJXWILB-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N(C)C(C)(C)CC(=O)O 2295534067 NMIFQQPPILLNCR-HNNXBMFYSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](C2CC2)NC(=O)[C@@H]1C 2295676035 HNOWHHZAPPMOIM-QILLFSRXSA-N 279.468 4.678 30 10 CJEE C=CC[C@@H](C=C)OCCCCCCCCCCCNC 2296256957 BKWANUUNEUMANQ-GOSISDBHSA-N 281.484 4.864 30 10 CJEE CC(=O)c1ccc(Oc2ccc(C#N)c(C)c2)c(Cl)c1 2296406649 NOVDDPJHMWEBQC-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE CC(=CC[C@@]1(C#N)CCCS1)CCCC(C)C 2300861307 QLRJCVQJVCHTRL-OAHLLOKOSA-N 251.439 4.938 30 10 CJEE CCCCCCCCC1(O)C[C@H](C)S[C@@H](C)C1 2301729548 HLLUYGIQLRYCNQ-KBPBESRZSA-N 258.471 4.772 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1c(C)sc(C)c1C 2304025659 UXIRWZSKHUSUGB-HUUCEWRRSA-N 251.439 4.666 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(F)cc1Br 2304079548 VSJFWKYXMNIFNL-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE C=CCC(CC=C)S[C@@](C)(O)CCCC(C)C 2307044468 JITMZMPBYDICFZ-OAHLLOKOSA-N 256.455 4.775 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1csc(C(F)(F)F)c1 2316730874 SZEPMUGPOOQRDE-GFCCVEGCSA-N 275.339 4.535 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(C(F)(F)F)c(F)c1 2316823191 YSBMLZGZAKEDGZ-SECBINFHSA-N 261.262 4.611 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(OC)c(Cl)s2)CC1 2317954479 CMLUBKWENLLMPX-VIFPVBQESA-N 284.808 4.729 30 10 CJEE CCCCCCCC[C@H](C)NN(CCC)CCC 2318751959 XWKAGQUVGZXNGN-INIZCTEOSA-N 256.478 4.752 30 10 CJEE C=C([C@@H](CCCCC1CC1)NCCC)[Si](C)(C)C 2318886508 WXPJWNKUGBMIDH-MRXNPFEDSA-N 267.533 4.759 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1sc2ccccc2c1C 2321116469 JRKYIECNQIOVPX-ABAIWWIYSA-N 259.418 4.682 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H]1CCC[C@@H]1OC(C)C 2321635247 ZRBUTXXSIGHZGX-PMPSAXMXSA-N 251.414 4.690 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1CC[C@H]1C(F)(F)F 2333451050 BVWLKKFRKKNPEC-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@]23CCC[C@@H]2CC3)CC1 2334782668 CYNITIOIGLMNJU-HDMKZQKVSA-N 260.421 4.908 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNCC(C)C)cc1F 2335238907 QIMPDKYRBSZUSP-CYBMUJFWSA-N 281.440 4.628 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cnc(C(C)(F)F)s1 2335673999 NAYWLXHWVNOKNN-HZMBPMFUSA-N 284.375 4.517 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@](C)(CC)C(F)F 2336606203 MBKMZJIWSHOMLL-GOEBONIOSA-N 273.411 4.620 30 10 CJEE CC(=CC[C@]1(C=O)COC(C)(C)C1)CCCC(C)C 2338453270 PLAPALWCBMGDKP-KRWDZBQOSA-N 266.425 4.533 30 10 CJEE C=CCC(CC=C)[C@H](O)C1CC(C)(C)CC(C)(C)C1 2338731822 DHNRJACKJKCOSS-INIZCTEOSA-N 264.453 4.968 30 10 CJEE O=C(C#Cc1ccc(Cl)cc1)CCC1=CCCCC1 2340257134 ZTXXVHYRDOTBIF-UHFFFAOYSA-N 272.775 4.541 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2CCC(C)=C(C)C2)C1 2343393210 ZPWLMDFGDIZXSI-QGZVFWFLSA-N 261.453 4.849 30 10 CJEE CC(C)c1cccc(C[C@@]2(C#N)CCCC23CC3)c1 2343786392 AYJLXDJQYLGVJM-GOSISDBHSA-N 253.389 4.827 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)c(C)cc1OC 2344336205 HFFXBYUCCHVZNR-MEDUHNTESA-N 281.827 4.520 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1cccc(F)c1 2344376744 HDDUGXIKVGWFFK-SJORKVTESA-N 263.400 4.859 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(F)c(Cl)c(F)c1 2344378618 VHROSFSWZXCBKX-CQSZACIVSA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cnc2sccc2c1 2344384815 NBLJAZHQIRPTPV-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCc2ccccc2C1 2359605782 GWPBHMIYUNPVQF-FXECBMLZSA-N 265.400 4.512 30 10 CJEE C=CCC(CC=C)O[C@@H](c1cccc(Cl)c1)[C@H](N)CC 2360212329 FLLPTTRAUPQNDT-SJORKVTESA-N 293.838 4.656 30 10 CJEE Cc1cc([C@@H](C#N)c2ccccc2)c2cc(Cl)ccc2n1 26440630 KKMUGTVNAZLKPM-KRWDZBQOSA-N 292.769 4.852 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922302 JKAAEEBOBUQLMP-CQSZACIVSA-N 264.372 4.661 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156548 CCKNHMQTCAOYJZ-ZIBATOQPSA-N 281.371 4.775 30 10 CJEE Fc1ccc(/N=C2/NC3(CCCCC3)CS2)c(Cl)c1 53097797 NLFQSFHVDMLPLN-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CCCCCCCCOc1c(C=O)cccc1OCC 59222063 VBKSAQXNRHSLFG-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCCNc1ccc(N(CC)CC)cc1 59423043 IYJWLASSQCSQPV-UHFFFAOYSA-N 262.441 4.915 30 10 CJEE N#Cc1ccc(Sc2nc3ccccc3o2)cc1Cl 61855604 PWKDLRCXYSTSSL-UHFFFAOYSA-N 286.743 4.504 30 10 CJEE CCc1oc(-c2cc(Cl)c(C)cc2OC)cc1CC#N 77077804 WNAJZPHKDKXSDZ-UHFFFAOYSA-N 289.762 4.546 30 10 CJEE CCc1oc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1CC#N 77077927 ZHRJZPWFSCXPLG-UHFFFAOYSA-N 298.342 4.607 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccco2)c2ccccc12 83204520 NEJATMMZAAMMLZ-PKNBQFBNSA-N 292.334 4.728 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)CC1 86923101 ILRQOFDKRNRTBP-HOTGVXAUSA-N 286.419 4.750 30 10 CJEE CCC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86941831 JFEPNFGJSOTIDZ-FRQCXROJSA-N 284.447 4.958 30 10 CJEE CC(C)[C@@H](CS)CSc1ccc(Cl)cc1 87096007 QYTQKZFZEYILQB-JTQLQIEISA-N 260.855 4.634 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)cc(Cl)c1OC 107654905 NHLQLRHWVBJYQG-SECBINFHSA-N 257.160 4.519 30 10 CJEE CC(C)CCC[C@@H](C)Nc1ccc(C#N)cc1Cl 110255732 FVLBGVJTMTUQHC-GFCCVEGCSA-N 264.800 4.838 30 10 CJEE CCCCCN(c1cccc(Cl)c1C#N)C(C)C 110256333 FNLBTKZQLYMNRD-UHFFFAOYSA-N 264.800 4.617 30 10 CJEE CCCCCCCCO[C@H]1[C@@H](NCC)C[C@@H](C)C[C@H]1C 113944470 WTJHSWRHVAPXDM-XWTMOSNGSA-N 283.500 4.776 30 10 CJEE CCCCCCCCC(=O)c1ccc(OC)c(C)c1 115062263 FFWFEZPYBXVPBS-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CCCCCCCC[C@H](N)CSc1ccccc1F 117373533 QVXXPZOSTFVGTO-AWEZNQCLSA-N 283.456 4.996 30 10 CJEE CCCCCCC[C@@H](Cc1ncccc1C)NCCC 117689517 PQRGPIAYQKZTJF-KRWDZBQOSA-N 276.468 4.661 30 10 CJEE CCCCCCCC(=O)C(CC)(CC)N1CCCC1 118170889 IJHQOGMTQMFDPW-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(F)cccc1F 118713021 UFPFBTWGLKHBLF-OAHLLOKOSA-N 269.379 4.976 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(F)ccc1C 125960522 OJISRWLKBLIXPN-KRWDZBQOSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCCCCN[C@](C)(CC)C(=O)O 129319587 GRKLUHNJUSWAHL-QGZVFWFLSA-N 285.472 4.750 30 10 CJEE COc1cc(C#N)ccc1N[C@@H]1CCCC[C@H]1C(C)(C)C 129905773 PXJLHIUIKWIVOS-HUUCEWRRSA-N 286.419 4.584 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1ccc(C)cc1Cl 131365968 RNZNJVOEXGXATO-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE Cc1cc(Sc2ccc(Cl)cc2)ccc1C#N 133526101 HPQAGVSFFCSSDY-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C=C(CN[C@H](C)c1ccccc1Cl)c1ccccc1 134361507 DXLHFILECVWLAE-CQSZACIVSA-N 271.791 4.704 30 10 CJEE CCCCCCCC[C@H](CCOCC)NCCC 140286935 AERRJEACUZXWPW-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 156229150 QKTKFCYCSJHCLM-HRCADAONSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CCCS1 160924244 NXBOYEHEBBKVSA-CABCVRRESA-N 257.487 4.740 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc2cnccc12 164349018 BRUXNCFKOPJQDN-GOSISDBHSA-N 270.420 4.856 30 10 CJEE CCSc1cccc(N[C@@H](C)c2ccc(C)o2)c1C#N 167579510 DQUBDPFBOZMBQO-LBPRGKRZSA-N 286.400 4.745 30 10 CJEE CCCCCCC[C@@H](O)C1C2CC3CC(C2)CC1C3 168207446 MAGYESXGFBLNDP-SVXFNXITSA-N 264.453 4.780 30 10 CJEE CCCc1nc2ccccc2n1[C@H]1CCCCC[C@@H]1C#N 168799786 KVAFCXRCRSSCNT-ZBFHGGJFSA-N 281.403 4.634 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222796983 JNJDICNXPIFPFQ-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1cc(F)cc(C#N)c1 227633465 XEESJHRFBUCLKZ-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CCCCCCCCCNCCc1ccccc1OC 230297575 RGCDHKMBSWFROG-UHFFFAOYSA-N 277.452 4.578 30 10 CJEE C=CCCCCCC(=O)CSC1CCCCC1 232561381 WKCYCWGBZVUUSG-UHFFFAOYSA-N 254.439 4.758 30 10 CJEE CCCCCCC[C@H](CC1(OC)CCC1)NCCC 232952477 PUMNOHANQOGSFU-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCC[C@H](CC)CNc1ccc(Cl)cc1C#N 233044263 XDSCLUPHDQMIQQ-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE C=CCCCCC[C@H](NCC)C1Cc2ccccc2C1 233535090 DVIZLGYKFPZHEP-IBGZPJMESA-N 271.448 4.516 30 10 CJEE Cc1cccc(N[C@H](C)Cc2ccc(Cl)cc2)c1C#N 235473356 ROLRZYWPIRXFCJ-CYBMUJFWSA-N 284.790 4.563 30 10 CJEE SCC1(c2ccc(Br)cc2)CCCCC1 259567280 YJICOGXOICMFKJ-UHFFFAOYSA-N 285.250 4.581 30 10 CJEE Cc1ccc(Nc2cc(C)c(F)cc2Cl)c(C#N)c1 311330223 COBVQLZAPWOPEY-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@]2(C#N)CCc3ccccc3C2)C1 312436561 BCGSBRWRCWNZDR-LVFSCSRESA-N 267.416 4.758 30 10 CJEE CCCCCCCCC[C@H](O)C1(COC)CCCC1 312954633 PIZYJVIBSDBQRQ-INIZCTEOSA-N 270.457 4.695 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(Cl)cc2)CC1 317257876 FHYMGKLCAOAPJY-UHFFFAOYSA-N 264.796 4.668 30 10 CJEE N#Cc1ccc(Cl)cc1OCC/C=C/c1ccccc1 323682872 HPDCJTSBFZLHSJ-XBXARRHUSA-N 283.758 4.694 30 10 CJEE CCC[C@H](Nc1cccc(SCC)c1C#N)C1CC1 323835858 APLRXJIFQZNASW-AWEZNQCLSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCCCN[C@@](C)(CN)C(C)C 380390558 YLABQTFBHFESFR-SFHVURJKSA-N 284.532 4.870 30 10 CJEE CCCC1CCC(C#N)([C@H]2CCOC3(CCC3)C2)CC1 383341158 RPBWDYDKWDTNKP-CGZBRXJRSA-N 275.436 4.836 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)ccc(F)c1OC 383555500 IKQRQLBNKMBKBC-CQSZACIVSA-N 285.378 4.594 30 10 CJEE CCCCCCCCNCCCCC1CCOCC1 388696060 ACHOEZSEUYIGIE-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCC(=NO)c1ccc(OCc2ccc(Cl)cc2)cc1 389354735 HJUSTDAZUDXXOF-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE CCCCCCC[C@@H](C)NCC1(C2CC2)CCC1 391539930 IEQRJEQJBZGOMV-OAHLLOKOSA-N 251.458 4.905 30 10 CJEE CSC[C@H](C)COCCCCCCCCCS 394960436 SEYLCSZWUIQYAP-CQSZACIVSA-N 278.527 4.663 30 10 CJEE C=C[C@@H](C)ONC1CCCCCCCCCCC1 400836862 LBFDICTZSLEFGL-OAHLLOKOSA-N 253.430 4.755 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@H]2CCCC[C@@H]2CC)CC1 401965441 SXWHWRIIWLOLMD-NNCLKIPCSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCNC1C[C@@H]2CC[C@H](C1)S2 403573946 PWTIDGDKEOCULX-MQVJKMGUSA-N 269.498 4.753 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(C(C)C)c1 665261578 GUCXJZQSCFKXQL-CALCHBBNSA-N 284.403 4.525 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(COC)cs1 686688521 NMOVBDUYCGPOFX-INIZCTEOSA-N 293.476 4.519 30 10 CJEE CCCCCCC[C@H](CC(C)(C)c1ccccc1)NN 686730628 JLGAABTUDOIHPA-QGZVFWFLSA-N 276.468 4.547 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(C(C)(C)C)c1 691665723 LFAXRLBEQBKCJL-QGZVFWFLSA-N 276.468 4.849 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](OC)C1CCC1 692735101 JHZDPIPAGVTBJL-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=C(CNCCCC1CCCCC1)c1ccccc1 694015345 BYFKCVADZTYYKU-UHFFFAOYSA-N 257.421 4.650 30 10 CJEE CCCCCCCCCCOC[C@@H](C)[C@H]1CCCCN1 697207745 NYHQFCIASVRVMZ-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCN[C@H]1COC[C@H]1C 699804211 HFULLQPFFADBCO-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](OC)C1CCC1 703216869 PFRADWHZVYISHP-DLBZAZTESA-N 269.473 4.660 30 10 CJEE CCC[C@H]1CCCCN(CCCCC(C)(C)C#N)C1 703650484 URLLNNSKYBJXAG-INIZCTEOSA-N 264.457 4.609 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1c(F)cccc1F 703996226 QTGDALZHBCNYRJ-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Br)cc1C 715722864 COLCMTGNFSQJNY-IAQYHMDHSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1 715725893 RGBNZKNIWCDXPQ-WFASDCNBSA-N 296.252 4.702 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(F)c2ccccc12 715749794 PRQORPQWHDDFDQ-SCLBCKFNSA-N 271.379 4.842 30 10 CJEE C=CC[C@H](C)[C@@H]1CC(C)(C)CC[C@H]1CNCC(C)C 715794950 LPTIMZPSXBCTTM-ULQDDVLXSA-N 265.485 4.887 30 10 CJEE CCCCCCCCCNCC[C@@H]1CC[C@@H]2C[C@@H]12 717136933 NGZUIUNTMMPULZ-BBWFWOEESA-N 251.458 4.763 30 10 CJEE C[C@H]1CC([C@@H](C#N)Sc2ccc(F)cc2)C[C@H](C)C1 719379013 ZPQFWMHIUODDPB-XHBSWPGZSA-N 277.408 4.882 30 10 CJEE CCCCCCCCCCNC[C@@H](C)[C@H]1CCCO1 720559412 ZMDIUMVGWVVFDI-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CC1(C)CC(C[C@]2(C#N)CCCc3ccccc32)C1 723584580 BPPXWRQUTPUFIW-SFHVURJKSA-N 253.389 4.611 30 10 CJEE C=C1CCC(CNC2CC(c3ccc(C)cc3)C2)CC1 724451736 QPNWKDAVPRTNJZ-UHFFFAOYSA-N 269.432 4.577 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(F)cc2Cl)CC1 724542154 IUROHOUIIAZEGA-HNNXBMFYSA-N 268.759 4.649 30 10 CJEE C=C1CCC(C[C@H](NC)C23CCC(CC2)CC3)CC1 724598712 CYKWYSYKRDBXJP-NXYGQSRBSA-N 261.453 4.681 30 10 CJEE Cc1ccc2c(CC#N)csc2c1SC(F)(F)F 725314808 XKAHCWOGMXKXJM-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE Oc1ccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)cc1 1088740871 YFQVAADVAJLWLH-UFWORHAWSA-N 299.679 4.815 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1 1124372562 DIYSZDHCRBFMCM-UHFFFAOYSA-N 281.758 4.554 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)c(Cl)c1 1124666180 AUQFCHKCZMSIBI-ZDUSSCGKSA-N 272.175 4.534 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1F 1163716064 ZFNCDECBTFVPHN-GXTWGEPZSA-N 292.354 4.589 30 10 CJEE C=CCCC1(CNCc2ccc(F)cc2C)CCCC1 1179143392 VKBNESWTIMLZLU-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(Cl)c(CN(C)C)c1 1181256487 PTLYYDKTNNWPOG-CQSZACIVSA-N 294.870 4.948 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc3ccccc3cc2OC)C1 1182795533 DTRJEMHYCKCESW-MRXNPFEDSA-N 295.426 4.637 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@@H]1CCCC 1226528927 WJWOMXZPUMIKRL-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE C=CCC1(CNC(=O)[C@H](C)CCCCCC)CCCC1 1272426322 NEOJHLZOMLFKDX-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCC1(NC(=O)CCCCCC(C)C)CCCC1 1279399439 FYMOEGRVNUGUBX-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C=CCCCSc1nnc(Nc2ccc(C)cc2)s1 1307250410 FMDNZNZVQZANMS-UHFFFAOYSA-N 291.445 4.648 30 10 CJEE CCCCCCCCCN(C)Cc1cncc(Cl)c1 1307426548 BYLCFSPAXNQJKR-UHFFFAOYSA-N 282.859 4.917 30 10 CJEE C=C[C@H](CC)CC(=O)NC1CCC(C(C)(C)CC)CC1 1349788658 WJACZDNETJNRRI-QQFBHYJXSA-N 279.468 4.700 30 10 CJEE C#CCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1 1350948926 KLWWIJAWPGJLEN-UHFFFAOYSA-N 292.378 4.843 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 1354767833 NJMAIURFBCVWMZ-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 1436513268 MODNDUIWLDVIML-AWEZNQCLSA-N 283.415 4.510 30 10 CJEE C=CCCCN1CC[C@H](c2ccc(Cl)cc2)C1(C)C 1460820399 YSMNUTSTZYFBAR-MRXNPFEDSA-N 277.839 4.874 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCCc2nc(C)sc21 1461988202 LAGQPDGPOQBGAL-HIFRSBDPSA-N 278.465 4.553 30 10 CJEE C=C(CC)CN[C@H](CC)Cc1ccc(Cl)cc1Cl 1474579955 BQFOUSAUZPUADQ-CQSZACIVSA-N 286.246 4.870 30 10 CJEE C=C(C)CCC(=O)O[C@H](CC)c1ccc(Cl)cc1F 1521207593 ALAQGFMDFJQFSO-CQSZACIVSA-N 284.758 4.830 30 10 CJEE C=CC1(CC(=O)O[C@H](C)c2cccnc2C)CCCCC1 1533408885 NVIQJDFTEYEAER-OAHLLOKOSA-N 287.403 4.521 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 1543130316 ULIIRANQDRKTCW-KRWDZBQOSA-N 299.801 4.512 30 10 CJEE C=CCCCCN(CC)Cc1ccccc1Br 1642857623 ZACDDWBHXWTQRT-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE C=CCCCN(CC)CCc1cc(Cl)cc(Cl)c1 1648544061 FFMWWQOYZJYRED-UHFFFAOYSA-N 286.246 4.824 30 10 CJEE C=CCCC[C@@H](NC[Si](C)(C)C)c1ccccc1 1654660724 UOVNGPFIHBZINW-MRXNPFEDSA-N 261.485 4.551 30 10 CJEE C=CCCCCCN1CCC[C@H]1c1ccccc1OC 1657178327 JFJQVCPQJGLNOV-KRWDZBQOSA-N 273.420 4.579 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1C[C@H](OC(C)C)C1(C)C 1659354653 YIHUCFBYAQEPMP-BBWFWOEESA-N 281.484 4.693 30 10 CJEE C=C(C)c1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 1665852823 GSJJCUSNRXUBTB-PKOBYXMFSA-N 263.384 4.935 30 10 CJEE C=CCCC1(CNC(=O)N(C)[C@@H](C)CCCC)CCCC1 1674372237 MHYDIIQNNOXKID-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2cccc(C(=C)C)c2)C1 1674979421 MVGGGJFTKMTDJE-HNNXBMFYSA-N 284.403 4.540 30 10 CJEE CCCC1CCC(C[C@@]2(C#N)CCCOCC2)CC1 1878368091 LHSMUXBXSFLELZ-OFLPRAFFSA-N 263.425 4.693 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1 1879647912 REEKTZCHUJWTNW-KSZLIROESA-N 263.469 4.765 30 10 CJEE C=C(CN(C)C1CCC(CC)CC1)c1ccccc1 1883333749 QUMUONLWNALMPU-UHFFFAOYSA-N 257.421 4.600 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@@H]2CSC[C@@H]2C1 1883431658 GRXLNTLHLQDZGG-BJWYYQGGSA-N 283.525 4.810 30 10 CJEE CCCCCCCCCCCCN(C)CCOCC 1884310918 JURDDGPIIOCRFU-UHFFFAOYSA-N 271.489 4.876 30 10 CJEE SCC1(COC[C@H]2CC23CCCC3)CCCCCC1 1896386313 BQDMAAIYVNIWLO-OAHLLOKOSA-N 282.493 4.854 30 10 CJEE CCCCCCCCCCN(C)CCCN=[N+]=[N-] 1912199743 WVWRAGYKCGVZLP-UHFFFAOYSA-N 254.422 4.759 30 10 CJEE C[C@H](c1cccs1)N(CCCS)Cc1ccccc1 1915087262 SVIMAHQAXHTSDF-CQSZACIVSA-N 291.485 4.631 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)c1ccc(OC)cc1 1917877924 QIISXFHYEUFHBM-HXUWFJFHSA-N 297.464 4.851 30 10 CJEE CCCCCCCCCC1(O)CCC(COC)CC1 1918852553 FSIPAQMXBVRFLU-UHFFFAOYSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1cscc1CC 1919425531 PPXCUFLAUPVHNM-MRXNPFEDSA-N 282.449 4.605 30 10 CJEE CC1(C)C[C@@H](C[C@@]2(C=O)CCCC23CCC3)C(C)(C)O1 1921614849 UKWDEJFCHASAPG-KBXCAEBGSA-N 278.436 4.510 30 10 CJEE N#C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCC12CCC2 1921633674 RJNQWZPQAXDHLG-INIZCTEOSA-N 277.770 4.886 30 10 CJEE C=CC[C@@H]1CCCN1c1cccc(Cl)c1[C@H](C)NCC 1925155940 VREHOAVHZXNSIB-UONOGXRCSA-N 292.854 4.555 30 10 CJEE C=C([C@H](NCC)c1cc(C)ccc1Cl)[Si](C)(C)C 1925523117 DCCLJVKILWUBDC-HNNXBMFYSA-N 281.903 4.733 30 10 CJEE CC(=CB1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1Cl 1927747543 BHKJINPPQJYSPW-UHFFFAOYSA-N 296.578 4.514 30 10 CJEE C=C1CC(CN[C@H](C)c2ccc(Cl)c(Cl)c2)C1 1942512495 WUEUDPQPCDBRMY-SNVBAGLBSA-N 270.203 4.610 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H](C)OCc1ccccc1 1955231204 SGBJAHGXWVWDFG-LNLFQRSKSA-N 289.463 4.562 30 10 CJEE N#CC1(CN(Cc2ccccc2)C2CCCC2)CCCCC1 1957546074 GXPZGTIRVQPDGB-UHFFFAOYSA-N 296.458 4.905 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)sc1Cl 1958114114 OFZXDWJDEWTWSD-OIBJUYFYSA-N 264.221 4.657 30 10 CJEE C=C1CC(CN[C@@H]2CCCC[C@@H]2C2CCCCC2)C1 1962777665 YEUYWHLIZNYBBP-QZTJIDSGSA-N 261.453 4.681 30 10 CJEE C=CCCCCCNCc1ccccc1C(C)(C)C 1964035368 PSLMWYOLTVRQSV-UHFFFAOYSA-N 259.437 4.820 30 10 CJEE CC(C)C[C@@H]1CC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 1970319036 RDKMUYHKUAKLTH-WMLDXEAASA-N 270.420 4.724 30 10 CJEE C=CCCCC[C@@H](O)c1cccc(C)c1Br 1984554702 QSJABAYYZVGJSI-CYBMUJFWSA-N 283.209 4.537 30 10 CJEE C=C1C[C@@H]1CN[C@@H](CC)c1ccc(Cl)c(Cl)c1 1996737436 VTYVQMHGASRXMW-RISCZKNCSA-N 270.203 4.610 30 10 CJEE C=CC1(C[C@H](NCC)c2cc(Cl)cs2)CCC1 2002624704 HEWUUGDTFHFKDQ-LBPRGKRZSA-N 269.841 4.799 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(Br)cc1 2003684504 VTMSLMLEBSIVJO-HNNXBMFYSA-N 296.252 4.976 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccsc1Cl 2024357234 SQXGFIPZGIRLFT-ZDUSSCGKSA-N 269.841 4.636 30 10 CJEE CCCC#CCOc1ccc(Br)cc1C(C)C 2024411070 DHQOLISXWXOLPU-UHFFFAOYSA-N 295.220 4.755 30 10 CJEE CCCCC#CCC(=O)c1cc(C)ccc1Br 2024418456 JYRSRMGXEKDTQW-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE NCCCCCC#Cc1c(Cl)cc(Cl)cc1Cl 2025645872 CKUBQOBCZMDDPM-UHFFFAOYSA-N 290.621 4.517 30 10 CJEE C=C(C)CCCNC1CC(c2ccc(Cl)cc2)C1 2027881989 VPRZNQYBVSCHBC-UHFFFAOYSA-N 263.812 4.532 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 2031828729 SNTBBXYFHCLBJZ-BPKGMFCQSA-N 250.426 4.844 30 10 CJEE CCCCCCCN[C@H](C)C1C[C@H]2[C@H](C1)C2(C)C 2032384498 JLENKXZUJZGHTK-KBMXLJTQSA-N 251.458 4.617 30 10 CJEE CCCCCCCCC(=O)CCOCCC(C)C 2033737346 HRJOXHOVRLPHES-UHFFFAOYSA-N 256.430 4.759 30 10 CJEE CCCCCCCC[C@@H](N)CCOCCC(C)C 2033739751 JGRYPROXWSRVNK-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(Cl)ccc1C 2040849517 AXCIRSUBRPJBKG-CJNGLKHVSA-N 263.812 4.655 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1cccc(Cl)c1C 2045983108 AFLOTQLVPJXWMH-INIZCTEOSA-N 266.812 4.976 30 10 CJEE CCCC[C@@](C#N)(CC)CC[C@H]1COC(C)(C)C1 2045997346 JNKYPOAZMZXWGL-ZBFHGGJFSA-N 251.414 4.692 30 10 CJEE C=CCCCCCCNC[C@@]1(C)CCCC1(F)F 2048995204 ZCBYBGNHGBRZSQ-CQSZACIVSA-N 259.384 4.538 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCCC(C)(C)C1 2049498177 JLFPBKACLGBQGL-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(C)[C@@H](NCC)C1CCC(CCCCC)CC1 2049635688 ZUPBIWCCWHDOKN-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@@H]1CCC(C)(C)C[C@H]1NCCC 2059112716 WQBCJEMBMFFVFM-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C#Cc1cn(-c2ccc(C(C)C)cc2)nc1CC1CCCC1 2069797221 CMFWDLYMWDFCFI-UHFFFAOYSA-N 292.426 4.710 30 10 CJEE C#Cc1cc(C2CCCC2)nn1Cc1ccc(C(C)C)cc1 2070169483 VQGYVPOVQDFWGO-UHFFFAOYSA-N 292.426 4.694 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC2CC1C2 2072042702 YGSFGCIVTZZVRT-BACDZXNISA-N 252.442 4.924 30 10 CJEE CCC1CCC(C[C@@]2(C=O)CC[C@@H](CC)C2)CC1 2072788765 PMLDODJFAKPERN-MNAZLIDISA-N 250.426 4.988 30 10 CJEE CCCCCCCCN(C)[C@@H](C)C1CC2(CC2)C1 2074914442 QHJJQCYISHTAEX-HNNXBMFYSA-N 251.458 4.857 30 10 CJEE CCCCCCCN(C)Cc1ccc(Cl)nc1Cl 2075946556 UEUXHKIQDSZXLK-UHFFFAOYSA-N 289.250 4.791 30 10 CJEE CCCCCCCCOc1sc(CNC)cc1C 2082371299 FFQBLWISMGHJHP-UHFFFAOYSA-N 269.454 4.515 30 10 CJEE C#CC[C@H](C)C[C@H](N)c1ccc(-c2cccs2)s1 2085086389 SKUMBWXQSVNSQJ-RYUDHWBXSA-N 275.442 4.526 30 10 CJEE C=CCCCCCC[C@]1(O)CC[C@@H](C)[C@H]1C(C)C 2085910665 CTYIBWOAAVCYNX-ZACQAIPSSA-N 252.442 4.946 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1C[C@H]1CC 2086237821 VHLNKPOSPIALBD-SJORKVTESA-N 251.458 4.881 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@@]2(C)C[C@H]21 2086261780 ONEWFFOWNAVLBM-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)cc1C 2087882569 OVKBBPZNMHJIIG-CQSZACIVSA-N 279.855 4.771 30 10 CJEE CCCCCCCCOC[C@H](NCC)c1cccs1 2089276199 YTVUUNMBMURPPB-HNNXBMFYSA-N 283.481 4.776 30 10 CJEE C=CCCC(C)(C)NC[C@H]1CCCC[C@@H]1C(F)(F)F 2092649068 CKCVVDFRGYQITM-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE O[C@H](CC#CC1CCCCC1)C1CCCCCCC1 2093461255 ZVZZHVNJEJTCEY-GOSISDBHSA-N 262.437 4.682 30 10 CJEE 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CCCCCC#CC[C@@H](N)c1cc(F)c(F)cc1Cl 2138960700 GOJPSRXYQVEOFT-OAHLLOKOSA-N 285.765 4.592 30 10 CJEE CCCCC#CC[C@@H]1C[C@@H](CC)CC[C@H]1CNCC 2138994785 UINIAQPYVHHKBX-KSZLIROESA-N 263.469 4.622 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C[C@H]1C(C)(F)F 2141913895 MOSPAJZHCDKZTL-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc(C)c(OC)c1 2141923536 NSURZZXQLKMLGQ-MRXNPFEDSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1OCC[C@@H]1C 2142433822 GYQWBZXZTZIIOF-DOTOQJQBSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCC[C@H](N)CC[C@H](C)OC 2142452381 GVCGQPGVSMUVLX-IRXDYDNUSA-N 269.473 4.826 30 10 CJEE CCC[C@]1(C)CSC(=Nc2cc(CC)ccc2CC)N1 2146583371 XQGGVLWIOMXSHU-QGZVFWFLSA-N 290.476 4.694 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCC)C1CCC(C)CC1 2147433555 OJAZYHQBOWFSKE-HIEASXQVSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCCC(F)(F)F 2147453084 CTTOLVZXUBRRNW-KBPBESRZSA-N 297.405 4.548 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NCC)C(CC)CC 2148597962 ATYXVSXTRWHSCR-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(O)Cc1cccs1 2148622287 WXQPCGKQHJNIPX-DLBZAZTESA-N 297.508 4.510 30 10 CJEE CCSc1cccc(N[C@H]2CCC[C@@H]2C2CC2)c1C#N 2150076384 RPTCITPSQSKGCF-HIFRSBDPSA-N 286.444 4.661 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)C1(C)CC(C)C1 2156530218 ZPEDMMBNMNXQDC-QLOLRVAOSA-N 283.500 4.642 30 10 CJEE CC[C@@H]1NC(=NC2CC3(CCC(C)CC3)C2)S[C@@H]1CC 2156596547 DDXDDUYNIRHXNL-SCTLLLDMSA-N 294.508 4.595 30 10 CJEE CC1CCC([C@@H](O)[C@]2(C#N)CCCC(C)(C)CC2)CC1 2157117839 PQUNTZFVVWBERX-AJTLQJAISA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](O)c1cscc1C 2157224759 DWDCFTVHDIRWAR-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE C=CCC[C@H](C)[C@H](NC)C(CC)(CC)c1ccccc1 2158326923 GINNRFPLNVXPIQ-WMZOPIPTSA-N 273.464 4.935 30 10 CJEE C[C@H]1C[C@@](CC#CC(C)(C)C)(CNC(C)(C)C)CCS1 2159706373 MOWNGRSZDUMABL-YJBOKZPZSA-N 295.536 4.716 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccccc2C2CC2)CC1 2160405484 SIBNSYJVUVEXQU-IBGZPJMESA-N 269.432 4.961 30 10 CJEE C=CCCOCCC1(CNCCC)CCC(C)(C)CC1 2163899549 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N#C[C@]1(C[C@@H]2CC3(CCCCC3)CO2)CCCC12CC2 2173626393 QHFJCAQAXMQHKK-MAUKXSAKSA-N 273.420 4.590 30 10 CJEE CC1(C)C[C@H]([C@]2(C=O)CCCCC23CCC3)C(C)(C)O1 2173685354 OIGZBYXEGGUIDX-KBXCAEBGSA-N 278.436 4.510 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)C[C@H]2CCC[C@@](F)(C2)C1 2175555470 GHOKXEJZRWZNFX-APHBMKBZSA-N 292.785 4.707 30 10 CJEE C[C@H](C1CCCCC1)N(C)c1cc(Cl)c(C#N)cc1F 2177389300 FGMIENLPBIGATC-LLVKDONJSA-N 294.801 4.756 30 10 CJEE N#Cc1cc(F)c(NC[C@@H]2C[C@H]3CCCC[C@H]32)cc1Cl 2177389552 RTCINNLEQGYTCH-KGYLQXTDSA-N 292.785 4.589 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(C2CC2)CCCC1 2177725808 KIHGCVRYEJCKGG-QGZVFWFLSA-N 280.500 4.929 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H](F)C2CCOCC2)CC1 2178220087 QLSZEAXZFYYWOK-NVXWUHKLSA-N 281.415 4.641 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2c(F)ccc(F)c2F)CC1 2181643176 QHUQQBDLAUEDER-JTQLQIEISA-N 282.305 4.669 30 10 CJEE C=C1CC(C[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2NC)C1 2182166271 PGXIHTAXLNBXCZ-QRVBRYPASA-N 269.432 4.515 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1c(C)cccc1OC 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C[C@@H]1CCC[C@@](C=O)(CC2CC3(C2)C(F)(F)C32CC2)C1 2195157526 YJEMSVPWFYAVJJ-RXFTYZNJSA-N 282.374 4.597 30 10 CJEE C=C(CN1c2ccccc2CC[C@@H]1C)c1ccccc1 2195503741 CNIHQDVPDLCHDK-INIZCTEOSA-N 263.384 4.541 30 10 CJEE CCCCCCCCCCN(C)CC[C@@H]1CC[C@H]1OC 2195684097 GIQGKQGURBXOET-ZWKOTPCHSA-N 283.500 4.874 30 10 CJEE CCCCCCCCCCCCN(C1CC1)C1COC1 2195925457 GBMRSLRECBSJAK-UHFFFAOYSA-N 281.484 4.771 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 2196853406 HUEXLFCGYATIPE-FJIDUMEYSA-N 277.496 4.724 30 10 CJEE C#CC[C@@H](C[C@](CC)(CNCC(C)C)C(C)C)C1CC1 2196860469 ZRFVSFCKFAEHFE-RBUKOAKNSA-N 277.496 4.724 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@H]1C[C@@H]1C1CCCCC1 2200038219 ZUWAHLFUFYQXFG-QYZOEREBSA-N 269.432 4.504 30 10 CJEE CCC[C@H]1C[C@H]1CNc1ccc(C#N)c2ccccc12 2200084687 VJCUUYJPFPNRPM-ZFWWWQNUSA-N 264.372 4.560 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1C[C@@H]1C1CCCCC1 2200122679 MVJGVBSAAFDZDF-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE CCC[C@@H]1C[C@H]1CN=C1NC2(CCCCCCC2)CS1 2200145005 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C=C[C@@H](C)N(C)c1c([C@@H](C)NCCC)ccc(Cl)c1F 2204688789 XSWCKEOMWBHWQP-VXGBXAGGSA-N 298.833 4.550 30 10 CJEE C=CCCCCCCOc1ccc(CNCC)cc1C 2206897562 BZDIKJCFXBOGPR-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cc(F)c(F)c(F)c1 2206900765 WGYICQOEBZQTJK-OAHLLOKOSA-N 285.353 4.891 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1CC(C)(C)CO1 2206901553 CSIOILNMKWMSRL-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@]1(CNCCC)CCO[C@H](C)C1 2206901775 DXBVHBLUYMUVID-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H](O)c1sc(C)cc1C 2206903163 PPTJEFCXSQLGIB-CVEARBPZSA-N 295.492 4.513 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@H]1CCC(C)(C)C1 2207444356 IWDKJIULKGUBFF-DLBZAZTESA-N 282.516 4.575 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cscn1 2220090346 WNUKEHBSDLDTEK-AWEZNQCLSA-N 266.454 4.710 30 10 CJEE CCC[C@H](C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2220269817 YNGBKQCIBOVNQC-ONGXEEELSA-N 284.186 4.606 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@@H]1C(C)C 2220305629 ORUMQSSKFHHVQS-IAGOWNOFSA-N 251.458 4.737 30 10 CJEE CCCCCCC[C@H](NC)C1(C)CC2(CCC2)C1 2221003986 OWAJSPIZOBGZPL-HNNXBMFYSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCO[C@H](CCC)CNC 2223239384 BMPYZQAUIKRDKX-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC[C@](C)(CNCC)OC 2223578906 CKESZKAYFHSLCC-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCSc1ccc(F)c(Cl)c1CN[C@H](C)CC 2223631889 CCWCEYWJCGHQOC-SNVBAGLBSA-N 287.831 4.645 30 10 CJEE CCCC#C[C@H](N)c1ccc(-c2ccccc2Cl)s1 2225433131 FLKVUHNDUZXBEW-AWEZNQCLSA-N 289.831 4.872 30 10 CJEE C=CCCCCCCCCOCc1csc(CN)c1 2225680237 YGHQPMZEHURSHZ-UHFFFAOYSA-N 281.465 4.640 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1cc(C)cs1 2227280947 PRMXSGFHCUSIOV-MRXNPFEDSA-N 280.433 4.576 30 10 CJEE C=C1CC(CNCC(C)C)(CC2(C)CC(C)(C)C2)C1 2228297821 CCQKEQDXAYJQTO-UHFFFAOYSA-N 263.469 4.785 30 10 CJEE CCCCCCCCCCCOc1ncc(CN)s1 2231026263 QTOONZGRQCQHJA-UHFFFAOYSA-N 284.469 4.511 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CCC[C@H]1O 2231032506 HQUHLCZDKQCJBS-DLBZAZTESA-N 270.457 4.695 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(F)ccc1Cl 2231484802 WLAAHUDLBUZRBD-OLZOCXBDSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1C[C@@H]1C(F)(F)F 2231946303 OGKFEZOXMSCGQT-MJBXVCDLSA-N 279.390 4.914 30 10 CJEE C=C1CC(C/C=C/c2ccccc2)(CNCC(C)C)C1 2234619146 YXHQJRMBUMAPKH-JXMROGBWSA-N 269.432 4.672 30 10 CJEE C=CCCCCCCCC1(CNC)C[C@H](C)O[C@@H](C)C1 2235525234 YVTYMJPIXPAUAI-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCN1CCC[C@H](c2nccs2)C1 2235534830 KAYUAGQWYVRDSH-INIZCTEOSA-N 292.492 4.849 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1Cc2ccccc2N1 2235540787 ATTWOTMDFFMBEQ-KRWDZBQOSA-N 271.404 4.509 30 10 CJEE C=CC(C)(C)COCCC(CC)(CC)CN[C@@H](C)CC 2238929239 SAIQENXPQFLIRL-INIZCTEOSA-N 283.500 4.800 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1 2239505869 ZYRXVMLEWGSRQK-BSDSXHPESA-N 281.484 4.695 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)c1ccc(CC)cc1 2239564370 WIGLMAAJFVANJK-QGZVFWFLSA-N 274.404 4.583 30 10 CJEE C=CCC[C@@H](C)Oc1ccc(Cl)cc1CN[C@H](C)CC 2240238549 GRCGCRPEDYWRDG-ZIAGYGMSSA-N 295.854 4.962 30 10 CJEE C=CCCCCCCCSc1sccc1CN 2250015404 WKCCZKLUGNNPFT-UHFFFAOYSA-N 269.479 4.826 30 10 CJEE CSc1ccc(OCCCCCCCS)cc1 2252613968 VFOZDJOAXCLIAO-UHFFFAOYSA-N 270.463 4.668 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CC[C@H]1CCC[C@@H](C)C1 2253993771 ACTDLNPJFHEDFG-YYIAUSFCSA-N 250.426 4.988 30 10 CJEE CC1(C)CCC(C#N)(c2ncc(C(C)(F)F)s2)CC1 2264610337 UISGIMZIBWDWMF-UHFFFAOYSA-N 284.375 4.616 30 10 CJEE Cc1cc(NC[C@H](C)CC(C)(C)C)cc(C)c1C#N 2265868636 XPBHCDMAZIAWOL-GFCCVEGCSA-N 258.409 4.659 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2CC(F)(F)C23CCC3)CC1 2266337054 OHYXBQLIMZITGO-WCQYABFASA-N 268.347 4.518 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCC12CC2 2266695654 AIZSGWGOTHOURB-IKGGRYGDSA-N 261.453 4.681 30 10 CJEE CC(C)(C)C#CC=CCCC(=O)CC1CCCCC1 2268730611 WFXHIHGZYYNQDD-UHFFFAOYSA-N 260.421 4.912 30 10 CJEE CC(C)(C)C#CC=CCN[C@]1(C)CCCCC1(C)C 2268842079 OVYHNPZAIHEYGZ-GOSISDBHSA-N 261.453 4.541 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1cccc(-c2ccccc2)c1 2269826887 ZGUQVIOJNIUISS-KDOFPFPSSA-N 251.373 4.566 30 10 CJEE C=CCCSc1cc(C)c(F)cc1[C@H](C)NCCC 2271493742 GBIWPWUMUNLTFU-ZDUSSCGKSA-N 281.440 4.863 30 10 CJEE C=C(C)CCCCN(C)[C@H]1CCCC[C@@H]1C(F)(F)F 2271751592 YPDFUDYOJWFEAG-KBPBESRZSA-N 277.374 4.786 30 10 CJEE CCCCCCCCC(CC)(CC)OCCC(=O)O 2274789500 AXBWEQUHRADASX-UHFFFAOYSA-N 272.429 4.787 30 10 CJEE CCCCCCCC[C@H](OCCN)c1cc(C)cs1 2277101198 SXPVGQMQDMLFEN-HNNXBMFYSA-N 283.481 4.824 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(C(F)(F)F)s2)C1 2277881551 QGRUSXHWQMFHBU-NSHDSACASA-N 289.366 4.774 30 10 CJEE C=CCC[C@@](C)(OCCCN)c1cc2sccc2s1 2278093847 LJOMNUFGXPCBIB-OAHLLOKOSA-N 295.473 4.510 30 10 CJEE CC(C)NC[C@]1(CC=CC#CC(C)(C)C)CC=CCC1 2284075239 DUBMXYSLPZMTRG-LJQANCHMSA-N 273.464 4.707 30 10 CJEE CN[C@@H]1CCCCCCC[C@@H]1CC=CC#CC(C)(C)C 2284087647 FRMPAYTVSOKZLL-QZTJIDSGSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@]12CCCC[C@H]1CCC2 2284110590 FCWJSKSONZCPMD-LPHOPBHVSA-N 272.432 4.912 30 10 CJEE C[C@@H]1C[C@H]1CCCCCO[C@H]1CC(C)(C)CCC1=NO 2284933535 XYVLLICYJFTIML-FMKPAKJESA-N 281.440 4.628 30 10 CJEE C=CCCCS[C@H](C)[C@@H](NCCC)c1ccccc1F 2287076974 KRQKSYMDERYLFE-RHSMWYFYSA-N 295.467 4.954 30 10 CJEE C=CCCCCCCCS[C@@H]1Cc2ccccc2[C@@H]1N 2287183999 IEWBRELQXDUHJU-MSOLQXFVSA-N 289.488 4.871 30 10 CJEE CCCCCCCCCCN(CCN)CCC(C)(C)C 2289888080 QQLSRJBNFXNMRA-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H](C)C1)OCCN 2293120406 LSNWROAFQQKEOL-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@H](OCCN)c2scc(C)c2C)CC1 2294118870 AZTIEOZNOMCYKB-INIZCTEOSA-N 293.476 4.518 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCN)c1ccc(C(C)(C)C)s1 2294244176 YMFUQLYXXVCOJM-XJKSGUPXSA-N 295.492 4.664 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@@H](C)[C@H]1CN 2295519738 KBTFYXJIBSORMY-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1CCC[C@@H]1O 2295678317 HCEHFSDTUWYLDB-KSZLIROESA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCOCC[C@H]1C 2295683627 DLAUHMRURFWBTK-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(NC(C)C)C1CC1 2295767303 WJPGDJNLZTUBHE-RDJZCZTQSA-N 296.524 4.606 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)c([N+](=O)[O-])cc1Cl 2298889059 PTCBWHAEHUATCZ-SSDOTTSWSA-N 292.187 4.958 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C)c(Br)c1 2301055310 MMWOIVMPVNBOJL-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE CC(C)C[C@@H](CS)CSCC12CCC(CC1)C2 2308059368 BTRUPLNAXCQIIN-SLTAFYQDSA-N 272.523 4.892 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(C)(C)C 2312409357 WYQUFLAMWDUFNQ-BZUAXINKSA-N 252.442 4.946 30 10 CJEE C=CCCCCCCC[C@@H](O)C[C@H]1CC[C@@H]2C[C@@H]21 2312409925 HNYBSFNOCPQFOM-QBPKDAKJSA-N 250.426 4.700 30 10 CJEE CCCCCCCOc1cc(Cl)c(F)cc1C=O 2315592646 ZGWUGFJCLYVPNZ-UHFFFAOYSA-N 272.747 4.641 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCC[C@H](C(C)(C)C)C1 2316713878 BBCKHTDSROAKBH-RDJZCZTQSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)C(=O)C(F)(F)C1CCCCC1 2316753402 XYMUKYRGNGRSSB-UHFFFAOYSA-N 256.336 4.540 30 10 CJEE C=CCCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2318603087 HHLHQOBBTZHJAF-OAHLLOKOSA-N 286.246 5.000 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC[C@H]1C)NCC 2321099252 QCPFYLKRPDTLID-NCOADZHNSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@@H]1CCC1(C)C 2321100401 AXWHIODSSLOMFS-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE Cc1cccc(C=NNc2nc(-c3cccs3)cs2)c1 2324119662 GHBFZXSXIQOMPW-UHFFFAOYSA-N 299.424 4.626 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2CC[C@H]1C[C@@H]2N 2334442873 QDTHYSWPTGZPSN-LUKYLMHMSA-N 269.448 4.983 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1ccccc1C(C)C 2337165959 NZUJVUDULPEFMO-CRAIPNDOSA-N 257.421 4.644 30 10 CJEE C=CCC1(NCc2cc(F)c(Cl)cc2F)CCCC1 2337211734 CVVIEHUDALYLGG-UHFFFAOYSA-N 285.765 4.597 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CC[C@H](C)C(F)F 2338616185 PDFOWRFYVFTNQU-DJJJIMSYSA-N 295.439 4.851 30 10 CJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2339572472 NZRODUPYGCDOIX-XHDPSFHLSA-N 296.241 4.694 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CCCCC1CC1 2341418072 PYVXUFQPWYJPIS-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCC1=CC[C@H](CCCCC(F)(F)C(F)(F)F)C1=O 2342305414 CZUUXUXOYFOXAK-JTQLQIEISA-N 284.268 4.670 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2343411906 KOCBZKBMROCGIA-NRUUGDAUSA-N 296.197 4.606 30 10 CJEE C=CCC(C)(C)[C@@H](N)CC(C)(C)Cc1ccccc1 2344342622 LEIBNOMVLSEJAY-INIZCTEOSA-N 259.437 4.575 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1c(F)cccc1Cl)NCC 2344346090 PVQFLWKZQYMBEU-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](N)CC1(C)CC2(CC(F)(F)C2)C1 2344373369 ZRNQGROLDCLDSE-GFCCVEGCSA-N 271.395 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1c(F)cccc1Cl)NC 2344386073 UHZVVLNXUOTVJT-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)c(OC)c1F 2344418704 CEQJMITUPWBRNV-OAHLLOKOSA-N 284.758 4.663 30 10 CJEE C=C1CC([C@@H](NCCC)C23CC(CC(C)C)(C2)C3)C1 2344823554 UNPAZEFSEPWOIS-WWDZGPRUSA-N 261.453 4.537 30 10 CJEE CC(=CCOC[C@@]1(CS)CC1(F)F)CCCC(C)C 2351888192 UXQKLCVDHIVFRP-CQSZACIVSA-N 292.435 4.731 30 10 CJEE CCCCCCC[C@](C)(C(=O)O)N(C)[C@@H](C)CC(C)C 2353862928 LOGPEIASKPAPMU-DOTOQJQBSA-N 285.472 4.557 30 10 CJEE C[C@@](C#N)(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 2354852698 YIBCQMCINSWDAN-UKMLZYKCSA-N 275.342 4.539 30 10 CJEE C=CCC(CC=C)Oc1cccc(Cl)c1CNCCC 2360214695 LJGXCXGMICJUBD-UHFFFAOYSA-N 293.838 4.739 30 10 CJEE COc1ccc2c(c1)CC/C(=C\c1cccc(Cl)c1)C2=O 4826053 CNLYTCNSPHGFOV-NTEUORMPSA-N 298.769 4.561 30 10 CJEE CC1=C/C(=N\N=C(c2ccccc2)c2ccccc2)CC1 5445305 VFWXMQCIYSZJHQ-ZZEZOPTASA-N 274.367 4.620 30 10 CJEE C#Cc1cccc(N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 19992656 JAJBLRGWURIPEA-RRCMXIFQSA-N 279.427 4.685 30 10 CJEE CCC(C)(C)c1ccc(OCC#N)c(C(C)(C)CC)c1 22146115 INDKFWDYIOVJGL-UHFFFAOYSA-N 273.420 4.964 30 10 CJEE N#C[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 37935353 NRCFZWWOXJTTIG-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE Cc1ccccc1C[C@H](C#N)c1ccc(C(C)C)cc1 41357506 SRZZZHUJZNLENO-LJQANCHMSA-N 263.384 4.968 30 10 CJEE Cc1c(Cl)cccc1N[C@H](CC#N)c1ccccc1 55015074 YPZWLFXTAMXJKW-MRXNPFEDSA-N 270.763 4.715 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 59211599 YZFVHUZEFBQONW-UHFFFAOYSA-N 288.347 4.619 30 10 CJEE Cc1c(Cl)cccc1NC1CC(C#N)(c2ccccc2)C1 86035906 MZGCPLFEEQHJAH-UHFFFAOYSA-N 296.801 4.684 30 10 CJEE CCCC1(CCC)CC(C#N)(c2ccc(OC)cc2)C1 86541427 ZUCBABUNPPUABR-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE Cc1cc(C)cc(CSCCCCCS)c1 87197139 WOSXZKMAYQVPMR-UHFFFAOYSA-N 254.464 4.637 30 10 CJEE Cc1cc(C(=O)[C@@H](C#N)c2ccccc2Cl)sc1C 87567414 BAKYWEDAGUJEMT-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87930410 CAUWVTDASQDKFC-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](O)(C2(C#N)CCC(C)(C)CC2)C1 91875912 ZDQXYONDXDWVRX-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE CCC(CC)[C@H](C#N)Sc1cccc(Br)c1 94674698 XOCDCSSOUNFNCN-ZDUSSCGKSA-N 298.249 4.870 30 10 CJEE N#Cc1ccc(OCCCCCCCCCS)cc1F 97799853 QCEZWHPTKIZBAQ-UHFFFAOYSA-N 295.423 4.737 30 10 CJEE CCCCCCCn1c(CC(C)C)nc2c(N)cccc21 104325700 VKDGBJJYEGFHOZ-UHFFFAOYSA-N 287.451 4.787 30 10 CJEE C#CC[C@H](C)c1ccc(OCC(C)C)c(C(C)C)c1 107593868 UNSDDNUTEDUAFZ-HNNXBMFYSA-N 258.405 4.972 30 10 CJEE CCCCCCCCCn1nc(C)c([C@H](O)CC)c1C 108045082 LKJPSXMPWHMAIG-MRXNPFEDSA-N 280.456 4.694 30 10 CJEE CCCCCCCCCCN(CC)C1C[C@@H]2CC[C@@H](C1)N2 109687815 NOSMGHIOLKBYIW-ROUUACIJSA-N 294.527 4.732 30 10 CJEE CCCCCCCCCCCCN1C[C@H](N)CC[C@@H]1C 109887020 LUVONRQVRKFCMN-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCOCc1cc(C)c(CNC(C)C)o1 110171313 WOFODDDAVZMNRO-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE CCCCCN(c1ccc(Cl)cc1C#N)C(C)C 110256338 XJGAUXXISBWKBJ-UHFFFAOYSA-N 264.800 4.617 30 10 CJEE CC(C)(C)CC(C)(C)Nc1c(C#N)cnc2ccccc12 110257027 NQIXPRPPMNRRMQ-UHFFFAOYSA-N 281.403 4.733 30 10 CJEE Cc1cc(Cl)ccc1Oc1ccc(C#N)c(Cl)c1 110261196 CIOZCFKQMBSDBB-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE Cc1ccc(C#N)cc1Nc1nc2cccc(Cl)c2s1 110425088 BTIOWZLDHAJAMW-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CCCC1CCC(Nc2cccc(Cl)c2C#N)CC1 110465290 YSWFARBQQIGEOW-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@@H]1CCC 114056061 AUKPHHQWUKJDRR-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCCOC1 114876268 IKEFFXHHVHMVOB-QGZVFWFLSA-N 270.457 4.839 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CCc2ccccc2C1 115843229 YFUSNSYNHIIVMI-ROUUACIJSA-N 260.421 4.513 30 10 CJEE CCCCCCCn1ccc([C@@H](CCC)NCC)c1 118245035 LRXVSSQYIFLZEI-QGZVFWFLSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@H](C)CN 122145384 PQLOBKKQDYPEER-INIZCTEOSA-N 269.473 4.851 30 10 CJEE CCCCCCCCCC[C@@H](NC)C(OCC)OCC 123548133 XPWOYFVDXBLGCM-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE C#CCCC[C@@H](CCCCCCCCCCC)NN 124674228 PELTWTRFEUZGTB-KRWDZBQOSA-N 266.473 4.543 30 10 CJEE CCCCCCCCCCNC[C@H](O)c1cccs1 124825715 QCELPGJRXGEZTQ-HNNXBMFYSA-N 283.481 4.512 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc2c(s1)CCSC2 125751156 FZEDDUVCOUPHFB-CQSZACIVSA-N 295.517 4.934 30 10 CJEE CCCCCCCCC(=O)c1cccc(N(C)C)c1 135447700 MWMJXIWKOQIZDE-UHFFFAOYSA-N 261.409 4.686 30 10 CJEE CCCCCCCCCCC(=O)c1cc(C)nnc1C 135631041 VJICMXJBEAETTJ-UHFFFAOYSA-N 276.424 4.807 30 10 CJEE CCCCCCCCCc1nnc(S)n1CC(C)C 136018027 HMZXKDRWLKJTHA-UHFFFAOYSA-N 283.485 4.516 30 10 CJEE C=C(CNc1cc(C(F)(F)F)ccc1F)c1ccccc1 148038148 MSEOYYAMMUSJBF-UHFFFAOYSA-N 295.279 4.970 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCCC 156230543 CTBXTDLILRWKGM-XHSDSOJGSA-N 251.458 4.641 30 10 CJEE CCCCCCCOC[C@@H](NCC)C1CCCCC1 157539800 GTLZCZMVBYRWFI-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE Cc1cc(Sc2ccc(O)c3ccccc23)ccc1C#N 163443723 CYISBTKHRTUNOQ-UHFFFAOYSA-N 291.375 4.877 30 10 CJEE CC(C)(C)c1ccc(C[C@@](C)(C#N)N2CCCCCC2)cc1 212306865 RTNXPLJRBNCPAZ-FQEVSTJZSA-N 298.474 4.685 30 10 CJEE C=CCCC[C@H]1C[C@H](CCC)CC[C@@H]1CNCC 219444271 WHSYNAKILFICQV-IXDOHACOSA-N 251.458 4.785 30 10 CJEE N#Cc1cc(Cl)ccc1NCCc1ccc(Cl)s1 226256057 ADEJHVDVEGCNBJ-UHFFFAOYSA-N 297.210 4.581 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Br)ccc1C 229735043 PVUGWXCOKPVWAS-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@@H](O)C2(C#N)CCCCCCC2)C1 235386809 NRPPKLMGAGNMAU-USXIJHARSA-N 275.436 4.594 30 10 CJEE O=C(C=C1CCCCC1)Cc1cccc(C(F)(F)F)c1 236123191 OZCHEZRKWCHODJ-UHFFFAOYSA-N 282.305 4.708 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Cl)c(F)c1 236315843 OQDHBDCXTYFDDY-CQSZACIVSA-N 255.764 4.615 30 10 CJEE CC[C@H]1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1 251820047 ZNEVIDKDZYOZIM-FPEDAYMGSA-N 282.339 4.729 30 10 CJEE CCC(CC)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252415651 RNBXITUGUMNRLR-ZIFCJYIRSA-N 284.447 4.583 30 10 CJEE COc1cccc(C2(C#N)CCCCC2)c1C(C)(F)F 260411673 HYQMNZDSSUCRNO-UHFFFAOYSA-N 279.330 4.532 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O 300257708 QFFNYRLVMFOJGD-BZUAXINKSA-N 252.442 4.946 30 10 CJEE N#C[C@@H](NC1CCCCCC1)C1CCCCCCC1 311282354 FHKCVGUDSAERHM-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE N#C[C@@]1(Cc2ccccc2C(F)(F)F)C[C@H]2CC[C@H]1C2 312713876 DQZNJYBKSCCUSG-WHOFXGATSA-N 279.305 4.578 30 10 CJEE C=CCCCCN[C@H](Cc1ccccc1)c1ccccc1 314366861 YMZBVCNXMLLLKE-HXUWFJFHSA-N 279.427 4.916 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 317028037 SIAWHNUZVQDDLQ-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE CCC1CCC(C=O)(Cc2c(C)cc(C)cc2C)CC1 317243638 OCTNXLMGUUPGBQ-UHFFFAOYSA-N 272.432 4.940 30 10 CJEE CO[C@@H]1CCCC[C@H]1C1(C=O)CCC(C(C)(C)C)CC1 317430980 HSAZPLAEUCKDGW-GARNVTTQSA-N 280.452 4.613 30 10 CJEE CCCCCCCCCCN[C@]1(CCC)CCOC1 378697492 LTAVUWJECRFMOI-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H](C)CC(C)(C)C1 380629803 CPEVMWHYGMLUBR-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)c1ccccc1C(F)(F)F 385022445 OPBIIHXOXAVPCP-RISCZKNCSA-N 267.294 4.677 30 10 CJEE N#C[C@@]1(CCC2=CCCCC2)CCc2ccccc21 385047971 QAYRGLLEJINBNZ-GOSISDBHSA-N 251.373 4.675 30 10 CJEE C=C(COCC)[C@@H](NCCC)c1cc2sccc2s1 387479473 CHDMPAYXUBKSAP-OAHLLOKOSA-N 295.473 4.596 30 10 CJEE C=C(CC)C[C@H](NCCC)C(C1CCC1)C1CCC1 388000630 OQIOMSHLEGOITA-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCNCc1ccnc(C)c1 391150429 NWROOVBXHYQLNG-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)c1ccc(Cl)s1 397096041 BGJVQVIINORYJV-YPMHNXCESA-N 296.867 4.772 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 398087485 VTHRBOYJZNZBDH-OLZOCXBDSA-N 283.362 4.683 30 10 CJEE C=C(C)CCSCc1ncc(-c2ccccc2F)o1 507804503 ONIRKDIFVOOFLD-UHFFFAOYSA-N 277.364 4.680 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(C)c(Cl)c1 686708575 JBSYLORWOWIKEE-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE C[C@@H](CC1CCCCC1)N[C@H](C)c1ccc(C#N)cc1 689829312 XNCNJBYQCDLTLY-LSDHHAIUSA-N 270.420 4.568 30 10 CJEE C=C(CC)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692402257 GMGDGDILTHYSBA-VIFPVBQESA-N 276.182 4.749 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCCC2(CC2)C1 695954537 JFCQHEYVKWJORF-DLBZAZTESA-N 275.480 4.765 30 10 CJEE CN([C@@H]1CCCC(C)(C)CC1)[C@@H]1CCCCC[C@H]1C#N 697844566 REQBJJIXVUSWAI-GVDBMIGSSA-N 276.468 4.750 30 10 CJEE CCCCCCCCCCC[C@@H](CC#CCOC)NC 698879627 OWYJGWCBAKRVSX-SFHVURJKSA-N 281.484 4.535 30 10 CJEE CC(C)[C@H]1CS/C(=N/CC2CC(C)(C)CC(C)(C)C2)N1 699570847 YVZLYRNGMFHWLX-CQSZACIVSA-N 296.524 4.556 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCCOC1CCCCC1 699952686 WBWJLBFCWLODON-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE C#C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(C)(C)C 702293069 HMNGGWTWCJNSAQ-DZGCQCFKSA-N 293.863 4.514 30 10 CJEE CCCCCCCCCC1(N)CCN(CC(C)C)CC1 705156219 SYZACIJGYCOERE-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE C=CCSc1ccccc1N[C@@H](C1CCC1)C1CC1 705302996 LOMFQXGKUPZNBN-KRWDZBQOSA-N 273.445 4.955 30 10 CJEE C=CC[C@H](C=C)O[C@H]1CCCCCCCCCC[C@@H]1O 706663998 RFPLJEXFZPZKQB-BZSNNMDCSA-N 280.452 4.778 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)cc1 715008754 GAACTOFCSONFGG-SWLSCSKDSA-N 251.801 4.593 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(F)ccc(F)c1F 716435129 DMIWEWSOBWCTAS-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NN 716859404 JNBXEGOBZDHJQF-WNRNVDISSA-N 280.500 4.785 30 10 CJEE CCCC(CS)(CCC)CN(C)C1(C)CCCC1 720689045 KNTKNHZXCYZJIF-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C=C1CCC(CNCc2ccsc2C(F)(F)F)CC1 724455727 ZKZOXBIKNFXRGN-UHFFFAOYSA-N 289.366 4.603 30 10 CJEE C=C1CCC(CNc2cc(F)ccc2Cl)CC1 724549165 BMOOKETYTXXAOG-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc3ccccc3c2)CC1 724549341 DWSNUNCTEIMEIQ-IBGZPJMESA-N 265.400 4.976 30 10 CJEE CCCCCCCCCN[C@@H](CCO)C1CCCCC1 725078181 RHUNQBUZZVNLJH-SFHVURJKSA-N 283.500 4.658 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1nc(C)cs1 793528657 SUHQARSJQUBVNX-JSGCOSHPSA-N 266.454 4.627 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C(\C)C(C)(C)C 800156421 PQBXVXHUQKBUAN-BUHFOSPRSA-N 271.404 4.736 30 10 CJEE C=CCCc1ccccc1NC(=O)/C(C)=C/C(C)(C)C 800157255 DMJOHYYQUSDGJK-BUHFOSPRSA-N 271.404 4.736 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1124836192 KPROGYXIKSTSGF-KBPBESRZSA-N 285.387 4.555 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H]1CC=CCC1)c1ccccc1 1127300456 CTDHULBQOXWATK-WMZOPIPTSA-N 283.415 4.557 30 10 CJEE C=C[C@H](OC(=O)[C@H](C)c1ccc(CC)cc1)c1ccccc1 1130934088 CTMMXXOMACJTPV-BEFAXECRSA-N 294.394 4.823 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](C)[C@@H](C)CC)c1ccccc1 1265309591 VXVBTOBEZZVUPX-BQFCYCMXSA-N 287.447 4.677 30 10 CJEE C=CCCCCCCNC(=O)C[C@@H]1CCCCC1(C)C 1271936230 WLYDXWIHERVMPV-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CCC1(NC(=O)C2CCCCCCC2)CCCCC1 1272726087 QDIOYKBJGCFZGE-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C#CCN(Cc1ccc(C2CCCCC2)cc1)CC1CC1 1307588528 LPWQXDAUPMAZTF-UHFFFAOYSA-N 281.443 4.580 30 10 CJEE C=CCC[C@@H](CC)N[C@@H]1c2cc(C)ccc2C[C@H]1C 1308864735 KZPAVXMGLPSEND-KYJSFNMBSA-N 257.421 4.563 30 10 CJEE C=CCCCCNC(=O)N[C@H](C)c1cccc2ccccc12 1312541489 HSEJKQHNYRUHMF-OAHLLOKOSA-N 296.414 4.556 30 10 CJEE C=CCC[C@@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 1349855156 GIEQEGDFGZYRLN-LJQANCHMSA-N 293.410 4.992 30 10 CJEE C=CCC1(C(=O)NC2CCCCCCC2)CCCCC1 1352909245 TYSCYORAVHIJOT-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CCCCC1 1353931001 AEFQQGIEOACAIX-HZPDHXFCSA-N 277.452 4.598 30 10 CJEE C=CCCC[C@H](NC(=O)C(CC)CC)c1ccccc1 1438917182 CUZGUKPPRKFCSQ-KRWDZBQOSA-N 273.420 4.636 30 10 CJEE C=CCCCN[C@H](CC)c1cccc2ccccc12 1460796135 SYDTVHHZXNONAD-GOSISDBHSA-N 253.389 4.847 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C 1524348747 ULDCSIVKECKDBT-HOCLYGCPSA-N 271.404 4.570 30 10 CJEE C=CCCCCCCCNC(=O)c1occc1C(C)C 1524537761 NVZAIPRFJFVOKX-UHFFFAOYSA-N 277.408 4.659 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1533810822 IHNFSLJAFQEWHK-NDVVBYJMSA-N 291.479 4.866 30 10 CJEE C=C1CCC(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)CC1 1535635992 HQMRYPMSPUCTDM-INIZCTEOSA-N 291.479 4.796 30 10 CJEE C=CCCCN(CCc1ccccc1)c1ccccc1 1559610609 SHULNSDLHDDBDO-UHFFFAOYSA-N 265.400 4.702 30 10 CJEE C=CCCCN(Cc1ccc(F)cc1Cl)CC1CC1 1559829284 PPHQBALEPZAWJG-UHFFFAOYSA-N 281.802 4.657 30 10 CJEE C=CCC1(CN[C@@H]2CCCc3ccccc3C2)CCCC1 1560471583 SFFXOONQPSIZAA-LJQANCHMSA-N 283.459 4.660 30 10 CJEE C=CC(C)(C)CN[C@@H](CCC)CCc1ccccc1 1560836757 DVVIVPJJEMOKME-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CCCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 1560986758 KLFNHODCFHOQLF-NEWSRXKRSA-N 282.431 4.756 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CCC)CC(C)C 1586140589 ZAOYADBWZFETBH-ZACQAIPSSA-N 279.468 4.700 30 10 CJEE C#CCN(C[C@@H](CC)CCCC)[C@@H]1CCc2ccccc21 1615265413 RFIUGHBFPZGFTB-FXAWDEMLSA-N 283.459 4.826 30 10 CJEE C=CCCCN(CC)C(=O)[C@@H](CC(C)C)c1ccccc1 1618469971 MWVWUFWNOFKNPB-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C=CCCCCCCNCc1cc2ccc(C)cc2[nH]1 1620932125 YZMFIAHSFHBQSO-UHFFFAOYSA-N 270.420 4.702 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCO[C@H](C(CC)CC)C1 1621204463 IPMPCFQHXHVDKS-SZMVWBNQSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCCNC(=O)NC1(C)CCC(C)CC1 1635931317 GXMNPWXCXNVYAD-UHFFFAOYSA-N 294.483 4.781 30 10 CJEE C#CCOc1ccc(CNc2ccc(CC)c(Cl)c2)cc1 1651051858 XEQDLCDKPWBEJK-UHFFFAOYSA-N 299.801 4.527 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)cc1C 1654352670 ACKWDWCSFBBPNW-UHFFFAOYSA-N 283.390 4.712 30 10 CJEE CCCCCCCCN1CCCSC[C@H]1C1CC1 1654956582 ODCOEZRKCODORS-INIZCTEOSA-N 269.498 4.564 30 10 CJEE C=C(C)COc1cccc(NCc2ccccc2NCC)c1 1657469033 PDYMUJJUXRWIHL-UHFFFAOYSA-N 296.414 4.685 30 10 CJEE C=CCC1(CNC[C@H]2CCC[C@H](CC)C2)CCCC1 1657955907 LBEUZOCKIPTZCT-IRXDYDNUSA-N 263.469 4.929 30 10 CJEE C=CC(C)(C)CCCNC[C@H](C)c1cc(F)cc(F)c1 1660648293 FMIWJEWWXQWGHX-ZDUSSCGKSA-N 281.390 4.650 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C 1665420794 SEXSKGHIIHQPCV-HUUCEWRRSA-N 281.484 4.551 30 10 CJEE CC(C)(C)C1CCC(=NOCCc2ccccc2)CC1 1860464984 GAXXSJFGQKTZSZ-UHFFFAOYSA-N 273.420 4.838 30 10 CJEE CCC1CCC(C[C@@]2(C#N)CCOC(C)(C)C2)CC1 1878356171 GJYPNPBCOKAMOC-DQPZFDDXSA-N 263.425 4.692 30 10 CJEE C=C1CCC(CN2CCCC3(CCCC3)CC2)CC1 1884408246 VMKBNJIRLQSCOW-UHFFFAOYSA-N 261.453 4.779 30 10 CJEE CC#CCCCC[C@@H](O)c1ccc(CC(C)C)cc1 1885238456 WDBWMPWNYUPPNX-GOSISDBHSA-N 258.405 4.502 30 10 CJEE C=CCN(Cc1ccccc1)c1ccc(C)c(Cl)c1C=O 1886410347 DNFFOQMMZJKHDO-UHFFFAOYSA-N 299.801 4.654 30 10 CJEE CCCCCCCCN(C)c1ccc(C=O)cc1Cl 1887060455 CVWLMFNFCTYWPP-UHFFFAOYSA-N 281.827 4.949 30 10 CJEE CCCCCCCN(C)C[C@H]1CSc2ccccc21 1887061060 NMUVAHFEDUDSQQ-HNNXBMFYSA-N 277.477 4.778 30 10 CJEE C#CC[C@H](COc1cc(C)cc(C(C)C)c1)C1CC1 1887087237 KEHBWVUMUPLNSS-MRXNPFEDSA-N 256.389 4.547 30 10 CJEE C=C(C(=O)c1c(F)ccc(F)c1Cl)c1ccccc1 1888624618 KORDDZBQCCUEHS-UHFFFAOYSA-N 278.685 4.514 30 10 CJEE C=CCCN(CC[C@H]1CC[C@@H]1C1CC1)Cc1ccccc1 1891517963 VJGZVPPMMYFCOE-WOJBJXKFSA-N 283.459 4.891 30 10 CJEE C=C(C)CCCCc1cc(Br)ccc1OC 1901169046 AQUDZVDAXWCJHX-UHFFFAOYSA-N 283.209 4.747 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(C)c(C#N)c1 1909665435 NCOKATUTHVUYAO-YOEHRIQHSA-N 256.393 4.638 30 10 CJEE C[C@H]1CCCC[C@H]1CN=C1NC2(CCCCCC2)CS1 1911893927 YGTHLUXQKONZJF-GJZGRUSLSA-N 294.508 4.598 30 10 CJEE CCCCCCC[C@@](C)(O)c1c(F)cccc1F 1919908078 AXKIRILFMAMSGT-OAHLLOKOSA-N 256.336 4.533 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(F)cc1F 1919910811 TTZGWIMSHFDDCX-OAHLLOKOSA-N 256.336 4.533 30 10 CJEE C=CCOc1ccc([C@@H](O)C2=CCCCCCC2)cc1 1920022705 MAEZUTVXGHMQKU-SFHVURJKSA-N 272.388 4.565 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC(C)(C)C(C)C)NC 1920812303 OHUVOUOHJVSEBY-AEFFLSMTSA-N 285.516 4.758 30 10 CJEE CSc1ccc([C@@H](O)C2(C#N)CCCCCCC2)s1 1921087250 PWSPKNLPDMPRBM-CQSZACIVSA-N 295.473 4.758 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC(C)(C)C)NCC 1921141512 MKOWIHGFDRSIBK-NVXWUHKLSA-N 271.489 4.512 30 10 CJEE Cc1cc(Cl)cc([C@@H](O)[C@@]2(C#N)CCCC23CCC3)c1 1921263826 JFHVUVXRNQYWTJ-WBVHZDCISA-N 289.806 4.546 30 10 CJEE CCCCCCCC[C@]1(N)CC[C@@H]1OCc1ccccc1 1934880407 GZRTZIPDLDSCNL-OALUTQOASA-N 289.463 4.814 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCCSC1 1942221862 UWPKADRNWNZJBJ-LSDHHAIUSA-N 257.487 4.598 30 10 CJEE C=C([C@@H](NC)c1cccc(Br)c1C)C(C)(C)C 1947433701 BOZNKPHCPYQHAD-CQSZACIVSA-N 296.252 4.620 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cccc(OCc2ccccc2)c1 1958084667 BXBYOEMSDNHOFE-OXQOHEQNSA-N 295.426 4.868 30 10 CJEE CCSc1ccc(C(=O)C=Cc2ccccc2)cc1 1962723948 SKUFUGMSHZOBEQ-UHFFFAOYSA-N 268.381 4.695 30 10 CJEE CSc1ccc(COc2cccc(Cl)c2C#N)cc1 1963977868 FRUOZRJLJUYBNQ-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCCCCCCCNC1C[C@H]2[C@H](C1)C2(C)C 1965869151 GYTFNIHVMFUBBQ-HOTGVXAUSA-N 251.458 4.761 30 10 CJEE CCSc1ccccc1NCc1ccc(C#N)c(C)c1 1968794074 DMXYNEQWQLKTJW-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE CC1(C)CC2(CC(COc3cccc(Cl)c3C#N)C2)C1 1970657740 FUDHMMYNGNPUIV-UHFFFAOYSA-N 289.806 4.807 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc(Cl)sc1C 2000364482 HYMCGUHWZVPFMD-CYBMUJFWSA-N 269.841 4.554 30 10 CJEE C=CCC[C@H](C)C(=O)c1c(F)cc(C)cc1Br 2005443073 YFNKRGJQNSSOFM-JTQLQIEISA-N 299.183 4.682 30 10 CJEE CC[C@@](C=O)(Cc1ccc(Cl)c(Cl)c1)C(C)C 2012437319 UJQBZGQMIQVTKL-AWEZNQCLSA-N 273.203 4.787 30 10 CJEE CCCCCCCCCCN(C)[C@@H](C)CSC 2019271907 RFYCMYLDBGSKRP-HNNXBMFYSA-N 259.503 4.810 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H](CCC)C(C)C)CC1 2028257347 ITADZCXCDBKQJH-IAGOWNOFSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](C)NCc1nc(C)sc1C 2035319184 WFHVGMIIASKQMK-GFCCVEGCSA-N 268.470 4.599 30 10 CJEE CCCCCCC[C@](C)(N)CC[C@@H]1C[C@H]1C1CC1 2037128126 JLKVMPPDPCTQNE-IKGGRYGDSA-N 251.458 4.891 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCSC(F)(F)F)CC1 2039386176 PWYRYVYSEDUPIN-LBPRGKRZSA-N 282.371 4.805 30 10 CJEE C=CCCC(C)(C)CNCC1CC(C(C)(C)C)C1 2043001998 VGMYPXQNIOWPKU-UHFFFAOYSA-N 251.458 4.641 30 10 CJEE CCC[C@H](CS)CN(C)C1CCCCCCCC1 2049785079 VPXAPELVFPTHQF-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE 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C=C[C@](C)(CN[C@@H](C)CC)C[C@H]1CCC(C)(C)C1 2319072589 LKVBDSLZEOESON-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CCCCC(F)(F)F)NCCC 2321117866 QDVAIFCJIACBHX-STQMWFEESA-N 265.363 4.690 30 10 CJEE CC(C)(C)C#CC[C@H](O)c1cc(F)c(Cl)cc1Cl 2325184623 SEMWOZUOSDPRIB-ZDUSSCGKSA-N 289.177 4.606 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1C[C@H](C)CC(C)(C)C1 2328521253 NOGLKGLURREHJU-KKUMJFAQSA-N 272.498 4.810 30 10 CJEE C=CC1(CN[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)CCCCC1 2331887864 BBGKNWVFTSPWOQ-BQFCYCMXSA-N 261.453 4.537 30 10 CJEE CCCCCCCOCCCCCCCNC(C)C 2337936013 HGCYTGSMXDSBPQ-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1(CC(C)C)CC1 2338746383 FWXDWAIAWNZORA-QGZVFWFLSA-N 263.469 4.949 30 10 CJEE C#CCCN(Cc1ccc(Cl)c(Cl)c1C)CC(C)C 2338897503 SQKFATCXTYYPRD-UHFFFAOYSA-N 298.257 4.783 30 10 CJEE CC#CCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341125063 RALDNOUUXGJFFM-INIZCTEOSA-N 298.257 4.708 30 10 CJEE C=CC1(CNCCCc2cc(Cl)cc(Cl)c2)CCC1 2341160535 BEDVDOLHJMBMNC-UHFFFAOYSA-N 298.257 4.872 30 10 CJEE C=CCCCCCC[C@H](C[C@@H]1CC[C@H]1C1CC1)NC 2342273389 FSBGEXDZJSZKPP-KSZLIROESA-N 263.469 4.927 30 10 CJEE C#CCCCC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343208364 KSXYNNLSKRCBMF-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(C(C)C)cc1)NCC 2344380256 ZHIQXZXYTSYWCW-QAPCUYQASA-N 259.437 4.543 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)ccc1F)NCC 2344380874 SJXUXYIIUSUDLL-OAHLLOKOSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1nc(C)c(C(C)(C)C)s1 2344383741 JKTZSHJHOXSVOI-GFCCVEGCSA-N 280.481 4.612 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCCOC(C)(C)C)NCC 2344394508 DBTDNQJHBLXGKJ-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C#CCC1(NCC[C@@H]2CCC(C)(C)C2)CCCCC1 2344856646 OJSWYJWFYFGUHZ-INIZCTEOSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@@](C)(Nc1ccsc1)C(=O)O 2348275685 IBDHSNOCGFNERE-OAHLLOKOSA-N 283.437 4.754 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)C[C@@H](C)CC[C@H]1C(C)C 2352015542 YYRQDCVQWSPJDC-RZLSGREXSA-N 284.465 4.600 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)C1CC(C(C)(C)C)C1 2352082509 GLXYCGMAQLREJQ-MQBCKMQZSA-N 285.541 4.725 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1ccc(C#N)cc1Cl 2352166237 NVYABXKWVNTWBD-OAHLLOKOSA-N 297.851 4.573 30 10 CJEE C=CC[C@@H](C)SC1(C(=O)O)CCC(CC)(CC)CC1 2352223433 QZFGXCSKFUXASM-CYBMUJFWSA-N 284.465 4.888 30 10 CJEE C=CCC(CC=C)Oc1c(CNCCC)sc(C)c1C 2360214984 OZVWYXBWJZKTQI-UHFFFAOYSA-N 293.476 4.764 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1)C2 6394768 SJIPYFPPUDTMRD-WQUXGXPASA-N 289.806 4.767 30 10 CJEE CC(C)(C#N)c1ccc(-c2cccc(Cl)c2)cc1 41326151 UKBQIKVXVSOGDQ-UHFFFAOYSA-N 255.748 4.808 30 10 CJEE CCCC[C@H](CC)COCCCC[C@](C)(C#N)NCCC 45324518 PPRSTTUUKHPOHS-ZWKOTPCHSA-N 296.499 4.672 30 10 CJEE CCc1ccccc1Nc1cccc(Cl)c1C#N 70138290 RIMOOWZTZKHTNB-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCC(C)(C)C#N 87608954 YFPUVOSKUVXGJS-OWCLPIDISA-N 265.441 4.794 30 10 CJEE Cc1ccc(C(F)(F)F)cc1Nc1ccc(C#N)cc1F 91480119 MVHWAXOKAFNVQN-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)c1cccc(F)c1C#N 93396684 SZTKJFDDGBIUMB-LLVKDONJSA-N 288.753 4.548 30 10 CJEE Cc1cc(OCC2(CS)CCCC2)cc(C)c1Cl 94584466 MYEBMSAJXMLWGF-UHFFFAOYSA-N 284.852 4.826 30 10 CJEE C=CCCC[C@H](CCc1ccc(C)cc1)NCCC 97219809 FNEFZYRWSZFDBJ-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C/C(O)=C1\C(=O)C=C(c2ccc(C)o2)C[C@@H]1c1ccccc1 104175168 UTIBCJBOSIEGCL-CXDFQFJYSA-N 294.350 4.560 30 10 CJEE CCCCCCCN(CCC(=O)O)c1cc(C)ccc1C 105478849 IPUPQGGECJNJOC-UHFFFAOYSA-N 291.435 4.555 30 10 CJEE CC#C[C@H](C)Cc1ccc(OCCCCCC)cc1 107576927 NUWWRHUKHXDUOG-INIZCTEOSA-N 258.405 4.848 30 10 CJEE CC#C[C@H](C)Cc1cc(Cl)cc(Cl)c1OCC 107656149 CFBOSZWYQNVBNV-JTQLQIEISA-N 271.187 4.594 30 10 CJEE CCCc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)cc1 109945386 YGGTZGCIZQNKSB-OAHLLOKOSA-N 278.399 4.992 30 10 CJEE CCCCCCCCOC1(CNCC)CCCCC1 110070430 IOTSORBAUWQHQS-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCC[C@@]1(O)CCc2ccc(OC)cc21 118734279 YXGWCTPANJFECN-GOSISDBHSA-N 276.420 4.580 30 10 CJEE CCCCCCCCCCNCc1ccc(OC)c(O)c1 129244263 LLXDSGJMGJBIEZ-UHFFFAOYSA-N 293.451 4.631 30 10 CJEE C=C(CNc1ccc(F)cc1Cl)c1ccccc1 134358221 GBWJJIHVKRVOIZ-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCCCCCCCC[C@H](O)c1scnc1C 135351202 VJZMDWMGFKOVMB-ZDUSSCGKSA-N 255.427 4.626 30 10 CJEE CSc1cccc(OCc2cccc(Cl)c2)c1C#N 136720447 OFWVOBUDFDFNMC-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCCCCCCCCOCCC(=O)OC(C)(C)C 144483385 BVCDOWZRLRKPTB-UHFFFAOYSA-N 286.456 4.876 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCCCO1 157907746 IALNXLWFUFZIKG-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccco1 158334843 YPFGXWGOSKTCFG-GFCCVEGCSA-N 294.276 4.733 30 10 CJEE CCCCCCC[C@H](N)c1csc(Br)c1 161707482 YLDNSZMMHCYXSV-NSHDSACASA-N 290.270 4.871 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(SC)cc1 167700208 NNJYELINBAXVJA-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE C=C(CN[C@@H]1CCCC[C@H]1C(C)C)c1ccccc1 215086289 NFMHLMRYADPQQL-ZWKOTPCHSA-N 257.421 4.504 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 218317240 NQHYYCWFEMCNDC-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCC[C@H](O)[C@]1(C#N)CCC[C@@H](CC)C1 218471887 QGPIKTDCVZGSHA-IXDOHACOSA-N 265.441 4.818 30 10 CJEE CC1(CNc2ccc(C#N)cc2Cl)CCCCC1 233049156 SWVLLXCONOBVGJ-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC[C@@H](CC)C1 233540122 AWICVKWFJBUJAG-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C[C@H]1CC[C@@H](CNc2ccc(C#N)c3ccccc23)C1 235720643 PFQBVXMLZJBZHO-UONOGXRCSA-N 264.372 4.560 30 10 CJEE Cc1c(Cl)cccc1Nc1ccc(C#N)c(F)c1F 235736310 FHBSXXIMGULBBA-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE Cc1ccc(Oc2ccc3ccccc3c2)c(C#N)c1 235989545 YBMNYPIGPBXMDQ-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 250197544 QKTKFCYCSJHCLM-PMPSAXMXSA-N 251.458 4.641 30 10 CJEE Cc1cc(Br)ccc1N=Cc1cccs1 254479364 GDMFCUIXDFKHQK-UHFFFAOYSA-N 280.190 4.570 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCC[C@H](C)C1 300258380 WAVNQRCPUYQSGR-BBWFWOEESA-N 251.458 4.927 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)CC1 307932767 YPYMTJIUPZJVSH-DZGCQCFKSA-N 274.383 4.714 30 10 CJEE CCC[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1Cl 308091172 RIFYZGHIGDYURR-CYBMUJFWSA-N 292.810 4.613 30 10 CJEE C[C@@H]1CCCC[C@]1(C)Nc1ccc(C#N)c(Cl)c1 308734263 XHGQOKBILAATOV-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE CCCCCCCCNc1cc([N+](=O)[O-])ccc1CC 312538645 HQDBNRQFASIFRK-UHFFFAOYSA-N 278.396 4.930 30 10 CJEE COc1ccc(CC2(C#N)CCC(C(C)C)CC2)cc1 312582532 UEWKQQNLQGZJTF-UHFFFAOYSA-N 271.404 4.594 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317317875 ORDTXLWWITYCJS-IINYFYTJSA-N 271.187 4.541 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317394089 YVCAFZSBMSTVBZ-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CCC1CCC(C=O)(C[C@H](C)c2ccccc2)CC1 317893883 PACGRSAONYKHLL-HJOIGYKYSA-N 258.405 4.966 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)ccc1F 380042940 NXAXOIRPHPIIHE-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE C[C@@](C#N)(Nc1cccc(Cl)c1)[C@H]1CC2CCC1CC2 381858923 IMOXANAFTDRPTC-SMELUJQZSA-N 288.822 4.860 30 10 CJEE C=CCCCCCCN[C@H](C)Cc1ccc(Cl)cc1 388494566 GNIZOKJXETZCES-OAHLLOKOSA-N 279.855 4.997 30 10 CJEE CCCCCCCCNC[C@H](C#N)C1CCCCC1 397168876 BYMRLLODHKENDC-KRWDZBQOSA-N 264.457 4.657 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC2 398201661 WKGUJYGSVBGYLQ-HUUCEWRRSA-N 257.421 4.571 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C[C@@H](C)C(C)(C)C)C1 399682484 KALISJRYNQNLJU-VQHPVUNQSA-N 278.484 4.709 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(C)cn1 400625578 MAYKWVDSFVYHJO-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE C=C[C@H](C)ON[C@H](c1cccs1)c1ccc(Cl)s1 400926929 MDOFPKNXGNWGIR-TVQRCGJNSA-N 299.848 4.648 30 10 CJEE C=CCCCCC[C@H](NC)[C@H](CC)CC(F)(F)F 402754581 WUEVUBBJXOYWQL-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@@H](C)O[C@@H]1C 686465191 RLDKAVLJOKRNFM-KZNAEPCWSA-N 283.500 4.776 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCCC 686693437 SMKRHXNISBOAJW-KSZLIROESA-N 263.469 4.622 30 10 CJEE C#CCCCCCC(=O)c1cc(F)ccc1C(F)(F)F 686696886 KUIOUMUTGYBDNX-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE CC(C)(C#N)CCCCNC1CCC(C2CCC2)CC1 695841834 UQPJLGJDKJDXCH-UHFFFAOYSA-N 276.468 4.655 30 10 CJEE Cc1cc(S[C@H](C)CC(C)(C)C#N)nc2ccccc12 695881651 ODIJPXOTASOIKW-CYBMUJFWSA-N 284.428 4.964 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCCN1C 700210201 ZKRVDTIFOJJZTM-INIZCTEOSA-N 267.457 4.571 30 10 CJEE CCCCCCCNc1nc(Cl)nc2sccc12 703778620 BBACXHILTYEOBC-UHFFFAOYSA-N 283.828 4.727 30 10 CJEE C=C(Cl)C[C@H](NC)C(c1ccccc1)c1ccccc1 710473541 DBMHIYRFBRRZCY-KRWDZBQOSA-N 285.818 4.549 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CC(C)(C)OC2(C)C)C1 711332402 BSZMAXYOJOKYHP-IIDMSEBBSA-N 280.452 4.756 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)[C@H]1CCCCO1 711842066 DQPFKUMWICSKKP-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 714258829 BIHBVEOSEKZQDF-BHYGNILZSA-N 268.404 4.638 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 715009349 IZNWWKKCNWLNCD-IINYFYTJSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)Sc1cccc([C@H](C)NCCC)c1 715755204 IDZOSWJXYXDFON-KGLIPLIRSA-N 263.450 4.804 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(C)c1 715767145 BKHNQBVXVISNAR-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE CCCCCCCC[C@@H](NC)C1C[C@@H]2CC[C@H](C1)S2 716047332 ADHSTYQTPWXWBU-NPYXIHBLSA-N 283.525 4.999 30 10 CJEE CCCCC1CCC([C@@H](CC[C@H]2CO2)NCCC)CC1 718648497 XELJRNBCDAYZBB-ZGUYJTEBSA-N 281.484 4.530 30 10 CJEE C=CCC[C@@H](NCCC)c1csc(C(F)(F)F)c1 718708575 IIILCOVETMTJNL-LLVKDONJSA-N 277.355 4.774 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H](OC)C1)NCCC 722019385 OVJTXPDRJDYSLS-KURKYZTESA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@]2(CNCC)CC[C@@H](CC)C2)CC1 724553156 GAPGRVWVGJZQSH-AEFFLSMTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(C)(C)CC)CC1 724569064 ZWPPPVHCRPUVSA-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C[C@H](CC(C)(C)C)/N=C1/N[C@H](C2CCCCC2)CCS1 725073573 YNMINEMJMIFRFG-HIFRSBDPSA-N 296.524 4.843 30 10 CJEE N#CCc1cccc2sc(F)c(SC(F)(F)F)c12 725305107 NLIYOMSQJYGKKW-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(CC(C)C)cc1)c1ccccc1 1130934492 OLASUIGCNADJKJ-LJQANCHMSA-N 294.394 4.969 30 10 CJEE C=CCCN(C)Cc1c(OC(C)C)ccc2ccccc12 1169343840 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C=CCCC[C@H](Nc1cc(C)c(C#N)cn1)c1ccccc1 1458557724 BQHWCZNHPBGFEZ-SFHVURJKSA-N 291.398 4.771 30 10 CJEE C=CCC[C@@H]1CCCN1c1cc(C(C)C)nc(C(C)C)n1 1458674714 RDVZXMBBDVTPGM-OAHLLOKOSA-N 287.451 4.658 30 10 CJEE C=CCCNC1(c2ccc(C(C)(C)C)cc2)CCCC1 1459816431 IJLCFKBDAKVAOQ-UHFFFAOYSA-N 271.448 4.919 30 10 CJEE C=CCOCCN1CCCC[C@@H]1c1ccc(C(C)C)cc1 1459891411 NGKAAYZWFYIVNT-LJQANCHMSA-N 287.447 4.540 30 10 CJEE C=C(C)CN(CCC1CCCC1)Cc1ccccc1 1460051692 AVFUHJAPNXRSMV-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(C(F)(F)F)c1 1460414648 YOEWPKUTWFYRRC-ZBFHGGJFSA-N 297.364 4.930 30 10 CJEE C#CCCCCNCc1c(Cl)cccc1SC(C)C 1461340946 SYTSDCHTZZREQC-UHFFFAOYSA-N 295.879 4.734 30 10 CJEE C#CCCCCCCN[C@](C)(Cc1ccccc1)C(C)C 1462500633 AAGITERSYVBURZ-HXUWFJFHSA-N 285.475 4.817 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc(F)cc2C)C1 1462568487 VQOFTYNDXAPGGF-YCPHGPKFSA-N 261.384 4.530 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC=C(c2cccc(C)c2C)CC1 1463322259 OSDPAUHRAQSAOY-KRWDZBQOSA-N 297.442 4.521 30 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132277965 KWKMXKRGPSBCEG-OAHLLOKOSA-N 257.462 4.660 30 10 CJEE CSc1cccc(Nc2cccc3c2CCCC3)c1C#N 136607122 USBZYSFDQKBVDF-UHFFFAOYSA-N 294.423 4.903 30 10 CJEE C=CCC(CC=C)C(=O)Nc1c(C)cccc1C(C)C 151231406 BBOGFWWASPAAGO-UHFFFAOYSA-N 271.404 4.825 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](OC)C1CC1 158235404 FZSZHKFUVHYSQM-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCOc1ccc([C@H](C#N)C2CCCCCC2)cc1 167859774 NTTZUWYJXCWGLF-QGZVFWFLSA-N 257.377 4.663 30 10 CJEE CCCCOc1cccc(/C=N/Nc2ccc(C)cc2)c1 169877677 QUPSIAOIHSHNER-XMHGGMMESA-N 282.387 4.620 30 10 CJEE C=C([C@H](CCCC)OC(=O)OC)[Si](CC)(CC)CC 205110317 DIZCBVYUKCUAJM-AWEZNQCLSA-N 286.488 4.932 30 10 CJEE CCCCCCCCCCC[C@@H]1CNCCS1 206857011 SCPABRAAUUPLDH-OAHLLOKOSA-N 257.487 4.612 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(C#N)Nc1cccc(Cl)c1 214749471 ACCYMPVFMZZRLB-CVEARBPZSA-N 276.811 4.860 30 10 CJEE CCCCCCCCOCc1ccc(/C=C\C(=O)O)s1 214834184 UBJFPSHORNVDDO-KHPPLWFESA-N 296.432 4.723 30 10 CJEE CCCCCCCCCCNN1[C@@H](C)CCC[C@H]1C 215039808 CEXSURLPQCCXCL-CALCHBBNSA-N 268.489 4.895 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(Cl)c(F)c1 215092614 DENBECLUOILKFT-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=C(CC)C[C@H](NCC)C1(CC(C)C)CCCC1 229753419 GAEHYTXOSWHMLK-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CC(C)Oc1ccccc1C(=O)C1=CCCCCC1 232690213 GAJPAQZBANJDAR-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE CCCCCCCCC[C@H]1C[C@@H](NCCC)CCO1 232946211 RMPCJZSLNHLHMB-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cnc(C)s1 232957740 AXEHMYXNSVOHQX-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1O 250808361 GLTVCTAILPCBDW-GUDVDZBRSA-N 290.447 4.671 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)NC[C@H]1CC 250831071 REBHGWGPEWJZKP-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE C[C@H]1CCC[C@@H](C)[C@@H]1Nc1cccc(OCCCC#N)c1 252450408 LCJHABGCNDOSPU-HWWDLCQESA-N 286.419 4.606 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@H]2CC[C@H]1C2 253042407 METQABJBXZXELA-LUKYLMHMSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300607380 LOGCMPNSFAFNKH-KHHDSSOXSA-N 263.469 4.617 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC(F)(F)C1 305991572 UJUOOPOJSGBGDX-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1cc2sccc2s1 309576522 PBIFNUARCSLSOH-ZJUUUORDSA-N 251.420 4.578 30 10 CJEE Cc1cc(CC2(C#N)CCC(C(C)C)CC2)cs1 310981595 XYZRUOCYIANZGY-UHFFFAOYSA-N 261.434 4.955 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)[C@@H](C)C2CCCCC2)C1 313176861 JZOKGLGITUSOFP-MVJTYMMSSA-N 277.452 4.674 30 10 CJEE C=C(CC)CNCc1cccc(Oc2ccccc2)c1 313484811 RCVCSHPVPDCHGF-UHFFFAOYSA-N 267.372 4.535 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(F)c(Cl)c2)C1 316883036 RJBUJEFIRCOCML-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE CC(C)Cc1ccc([C@]2(C)CC[C@@](C)(CC#N)O2)cc1 380575530 UZSWZOQGSCUEHM-ROUUACIJSA-N 271.404 4.583 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)cc1[N+](=O)[O-] 385020521 OLCCDYGRMMXNGT-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE C#CCOc1ccccc1CNc1ccc(CCCC)cc1 386077890 AAJJKJAAUZACKR-UHFFFAOYSA-N 293.410 4.653 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1CSc2ccccc21 386723137 AQUHZEUCDVJXJO-CABCVRRESA-N 289.488 4.846 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H](O)C(C)(C)C)CC1 388650354 MEAGVYUGRZMDKT-UUCFBXCCSA-N 265.441 4.530 30 10 CJEE CN[C@H](CC#CC(C)(C)C)Cc1ccc(Cl)cc1Cl 388919206 OWSUTSLASFKGHU-CQSZACIVSA-N 298.257 4.564 30 10 CJEE C=CC[C@@H](CC)N[C@H]1CCCc2sc(Cl)cc21 393807633 QBBUVAWQVOILIL-PWSUYJOCSA-N 269.841 4.723 30 10 CJEE CCC(CC)(CC)[C@H](O)C1(C#N)CCC(C)(C)CC1 395146881 BRTYOQHNCWSWBK-AWEZNQCLSA-N 265.441 4.674 30 10 CJEE C=C[C@H](C)ON[C@@H](CC)c1ccc(Cl)cc1Cl 400912579 FRHFSUFZDIVWGC-ZANVPECISA-N 274.191 4.540 30 10 CJEE CCCCCCCCOC[C@@H]1CCC[C@@H](NCC)C1 404039170 ICWNUVHKGRNJDB-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE N#Cc1ccc(Nc2ccc3c(c2)CCCC3)cc1Cl 404520185 HXSDLRWGPKSPAZ-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE C=CCCc1ccccc1NC(=O)C1CCC(F)(F)CC1 410344677 LAIKTAIXFKLPLT-UHFFFAOYSA-N 293.357 4.569 30 10 CJEE CC(C)c1ccc(NC(=O)c2ccc(C#N)o2)c(C(C)C)c1 431936491 INVCODRZODCHNI-UHFFFAOYSA-N 296.370 4.650 30 10 CJEE CCC1(CC)CCC(NCC(C)(C)CCC#N)CC1 474004576 HWYXWJAWORAFGL-UHFFFAOYSA-N 264.457 4.655 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H](C)O[C@@H]1C 686433049 MHPPZKBLKMPPSM-VQHPVUNQSA-N 270.457 4.692 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C=O)CCc2ccccc21 691808695 VHQBDOLYZIGVNB-INIZCTEOSA-N 280.358 4.531 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693317856 BRYCKZYBMJSZNL-QKPAOTATSA-N 285.422 4.782 30 10 CJEE Cc1cc(C#N)ccc1NCc1cc2cscc2s1 693918457 TXPULPYOFYCCPM-UHFFFAOYSA-N 284.409 4.755 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3CCCC[C@@H]3C)C[C@@H](C1)C2 697297047 PLFNBNYJEWTOIV-ATICWTEVSA-N 261.453 4.537 30 10 CJEE C=C([C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C)C(F)(F)F 699135784 QPDBMRMPOWWNEP-MPKXVKKWSA-N 277.374 4.545 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2ccncc2c1 702704081 JGSYYUIXXOLOSO-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCC[C@]1(N)CSCC(C)(C)C1 704828900 NDQXRHSYBDNDEE-OAHLLOKOSA-N 257.487 4.598 30 10 CJEE C=C(Cl)Cn1c(C)c(C)c2cc(CNCCC)ccc21 710679072 ONCVHWWZPHMBSH-UHFFFAOYSA-N 290.838 4.510 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC(C)(C)CC[C@H]1C 713112120 QIEPIBDSZSYXAB-NCOADZHNSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC(C)(C)CC[C@H]1C 713112124 QIEPIBDSZSYXAB-WCXIOVBPSA-N 263.469 4.926 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@@H](N(C)C)C1 715490665 KNMFWNNWBIKUQQ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc2ccsc12 715720142 LOCCDMJCYMYBFQ-IUODEOHRSA-N 259.418 4.764 30 10 CJEE CCC[C@@H]1CCS/C(=N/[C@@H](C)c2ccc(Cl)cc2)N1 716797120 FMQSKBIENDXLKL-SMDDNHRTSA-N 296.867 4.652 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(N)cc(F)c1 718597937 BUSAXORLNOEJPV-MRXNPFEDSA-N 267.388 4.582 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@](=O)CC(C)(C)C)C1 718860251 OPXYEMOOYKVCRG-RDNQGFKOSA-N 297.508 4.526 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCO[C@H](C(C)(C)C)C1 721828721 XRWBGXPGWYASFI-ULQDDVLXSA-N 283.500 4.919 30 10 CJEE C=CCN(c1ccc(CNC(C)(C)C)cc1Cl)C(C)C 723174493 IOSIBPVUBDFGFI-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCC2)C2CC2)cc1Cl 723854220 FIEMBSOAOYULCB-INIZCTEOSA-N 274.795 4.592 30 10 CJEE CC(=NNc1cccc(F)c1F)c1csc(Cl)c1 787156895 ADAIUYKGBHVPAW-UHFFFAOYSA-N 286.734 4.516 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1CCC[C@H]1CC)c1ccccc1 1127157559 UPNNHCJGWPLPPZ-NEWSRXKRSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CC1CCC1)c1ccccc1 1127641577 NYSLOSIMNZLZGD-QAPCUYQASA-N 285.431 4.636 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1sccc1C(C)C 1132193595 PQHRIBOJQAXHKC-UHFFFAOYSA-N 279.449 4.594 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)CCCC1 1206656412 LNXSWPNGNFNRCA-SJORKVTESA-N 293.495 4.695 30 10 CJEE CCCCCCCCCOC(=O)Nc1ccc(N)cc1 1239312229 VYUQDABEFGYQSK-UHFFFAOYSA-N 278.396 4.568 30 10 CJEE C=CCC(CC=C)C(=O)NCc1ccc(C)c2ccccc12 1276066885 NQCSEVZSOUOVSZ-UHFFFAOYSA-N 293.410 4.533 30 10 CJEE C=C(C)CCSc1nc(-c2ccco2)nc2ccccc12 1307285583 GGQKCWJBUGFSNI-UHFFFAOYSA-N 296.395 4.948 30 10 CJEE CCCCCCSc1nc(C(F)(F)F)ccc1C#N 1307331491 MDKCIGOVINKWHE-UHFFFAOYSA-N 288.338 4.644 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccccc1Cl)C(C)C 1360238967 GUJPGLDPNFWPDI-GUYCJALGSA-N 293.838 4.756 30 10 CJEE C#Cc1ccc(CNc2ccccc2OC2CCCC2)cc1 1461314996 UVQVZBOUAVNVBB-UHFFFAOYSA-N 291.394 4.601 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)C2CCSCC2)c1 1462647179 OBLIAUZCCDHCTP-ZDUSSCGKSA-N 261.434 4.663 30 10 CJEE C=CCC1(C(=O)Oc2c(F)cccc2Cl)CCCCC1 1519778870 KDEPDHKMORYXCT-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(CCC(C)C)cc1 1528811278 AIGSOJJGTPFPEW-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 1529930721 RERKHUXFIYWWEV-UYSNPLJNSA-N 279.468 4.557 30 10 CJEE C=CCCC[C@H](NC(=O)c1ccccc1)c1ccccc1 1537027063 QDCJAULAPWXAGL-SFHVURJKSA-N 279.383 4.514 30 10 CJEE C=CCCCN(CC)C(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C 1537364449 QDEMINDYDSZPKU-BYAOENGWSA-N 291.479 4.820 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@H](C)CCCC)c(Cl)c1 1561031002 BSDUPRKYDAFZJS-CHWSQXEVSA-N 263.812 4.948 30 10 CJEE C#CCCCCC(=O)N(CC(C)C)c1ccccc1Cl 1584073153 HYNPSLNLFGDWKC-UHFFFAOYSA-N 291.822 4.523 30 10 CJEE C=CCCCN(Cc1c(C)cccc1C)CC(C)C 1618766508 CCYAYYAEHWBGCJ-UHFFFAOYSA-N 259.437 4.728 30 10 CJEE C#C[C@H](NC[C@H](CC)c1ccccc1)c1ccc(Cl)cc1 1621368452 KUCMUDPVYAWPTM-KXBFYZLASA-N 297.829 4.798 30 10 CJEE C=CCCCCNC1(c2ccc(F)cc2F)CCCC1 1645031245 WULYURBEMJQJBK-UHFFFAOYSA-N 279.374 4.680 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc([C@H](C)C(F)(F)F)cc1 1654323218 KOHBMPYXNSLSKH-BBRMVZONSA-N 297.364 4.893 30 10 CJEE C=C(C)CCNCc1cc(F)ccc1N(C)CCCCC 1657999516 XRPVTZGCSJLXPN-UHFFFAOYSA-N 292.442 4.508 30 10 CJEE C=CCC[C@@H](CC)NCc1cc(Cl)cc(Cl)c1F 1659847779 OZYNFQPATMNNCF-GFCCVEGCSA-N 290.209 4.967 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc2c(c1)C[C@H](C)O2 1660107506 OCXJQBPOIBNAKJ-GJZGRUSLSA-N 273.420 4.947 30 10 CJEE C=C1CCC(CNCc2cccc(-c3cccnc3)c2)CC1 1663223944 PBIXRCDRTSNCDI-UHFFFAOYSA-N 292.426 4.585 30 10 CJEE N#CCc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2)n1 1848375672 NCUMFLYYAXPSGF-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCCC1(CNC(C)(C)C)CCCCCC1 1879643860 KKYQLHZFKBSATG-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccccc1Cl 1879646944 JLBRMOIRAIAFGM-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE C#C[C@@H](c1ccccc1)N(C)[C@@H](CC)CCC(C)C 1883328783 RCDHFHNDWOEZIL-ROUUACIJSA-N 257.421 4.508 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CC[C@@H](C)O1 1885327064 HOBKENKRELHTKW-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CC#CCCCCN(C)[C@H]1CCC2(CCCCC2)C1 1885369385 GCXAQZZFLWENMH-KRWDZBQOSA-N 261.453 4.615 30 10 CJEE CCCCN(C[C@H](C#N)C(C)(C)C)C1CCCCC1 1888750620 OGPRPUMCXFPHRI-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE C=CCC[C@@](C)(O)c1cc(Cl)c(C(F)F)s1 1903514834 GEVBXDIIIBNFBI-LLVKDONJSA-N 266.740 4.513 30 10 CJEE CCCCCCCCN(Cc1ccccc1)C[C@@H](N)CC 1915391632 MABDQEWBYPCXPY-IBGZPJMESA-N 290.495 4.586 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCC=CO1 1919516166 UHUXYQKCPJKHPB-CVEARBPZSA-N 254.414 4.571 30 10 CJEE CC(C)(C)SCC[C@]1(C#N)CCCC12CCC2 1921623083 ZVQWOGDVEFBCEX-HNNXBMFYSA-N 251.439 4.772 30 10 CJEE C=C([C@@H](CC(C)(C)C1CC1)NCCC)[Si](C)(C)C 1922866840 BDEOLWYGDRTADV-OAHLLOKOSA-N 267.533 4.615 30 10 CJEE Cc1cc(OC[C@@H]2C=CCCCC2)c(C)c(C)c1C#N 1925804445 BSSUGDSILIMZGW-MRXNPFEDSA-N 269.388 4.609 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](O)CC(CC)CC 1926162762 TVNPTAOGRSYRON-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE C=C(C)CC[C@@H](O)c1c(C)sc(C)c1Br 1933374370 OCVBLRNZVRADLD-SNVBAGLBSA-N 289.238 4.517 30 10 CJEE SC[C@@H](COc1cccc(Cl)c1Cl)C1CCC1 1942147747 LBVRNDWGHUTNPP-SNVBAGLBSA-N 291.243 4.718 30 10 CJEE C=C1CC(CN[C@@H](C)c2cc(Cl)ccc2Cl)C1 1942512419 WDQNSJCPMHBDOJ-JTQLQIEISA-N 270.203 4.610 30 10 CJEE C=C([C@H](O)c1ccc(C(C)(C)C)s1)C(C)(C)C 1947436483 NKCIXXKRDYIEDY-ZDUSSCGKSA-N 252.423 4.681 30 10 CJEE C=CCCCCC[C@H](NN)c1cc(Cl)c(Cl)s1 1950230519 NTRMNHHBWYACLT-JTQLQIEISA-N 293.263 4.696 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCC1(F)F 1954904116 GHJHSJASBQLRCB-INIZCTEOSA-N 279.374 4.500 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CC/C=C/Br)C1 1961328494 UEDLFDFLMCFTDG-ZHSSZIQJSA-N 270.214 4.785 30 10 CJEE C[C@@H]1CC(COc2cc(Cl)ccc2C#N)C[C@@H](C)C1 1963642055 RDQKYZGBZPBMNZ-RYUDHWBXSA-N 277.795 4.663 30 10 CJEE C[C@@H](NCC#CC1CCCCC1)C1CCCCCC1 1966368758 OOSOXCFMSFBRAL-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CCCCCCCCNc1ccccc1P(C)(C)=O 1968352869 FYDCSDZWNSTEBQ-UHFFFAOYSA-N 281.380 4.707 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1csc(C2CCCC2)n1 1969551613 KUZDBGIYNCHVPV-CZUORRHYSA-N 290.476 4.635 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cccc(Cl)c1Cl 1975931957 KSWXTEIBNOVCKJ-SECBINFHSA-N 257.160 4.778 30 10 CJEE C=C(Br)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 1978071319 UOEQSDHZOHEOAL-MBNYWOFBSA-N 287.241 4.517 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cc2sc(C)cc2s1 1996470654 OASIPADFSOROCK-OTYXRUKQSA-N 265.447 4.873 30 10 CJEE C[C@@H]1CCC[C@H](C[C@@]2(C#N)CCS[C@H](C)C2)C1 1997350532 DVDCDAIKNXCNDK-APIJFGDWSA-N 251.439 4.628 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@@]1(C)C(F)(F)F 1998661517 PRBMRXIBMWKVBD-ZYHUDNBSSA-N 250.304 4.505 30 10 CJEE C=C1CCC(COc2c(C)cccc2Br)CC1 2003415184 OYWGINJPRIHHEI-UHFFFAOYSA-N 295.220 4.883 30 10 CJEE C=CCCC[C@@H](NCCC)c1csc(CC)c1 2005234546 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CC1(C)CCC[C@H]([C@@]2(C=O)CCCc3ccccc32)C1 2163772948 CZWNGTFCACDVGW-LPHOPBHVSA-N 270.416 4.676 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](CN)CC(C)C 2164033507 JZKGAFUJBYVMOM-ZWKOTPCHSA-N 284.532 4.726 30 10 CJEE C=CCC[C@@H](NCC)c1csc(-c2ccc(F)cc2)n1 2164106090 YKSIWJXKSYDUKL-CQSZACIVSA-N 290.407 4.566 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(-c2ccccc2F)o1 2164166051 PQCVYIOWSCPLRI-PXAZEXFGSA-N 273.351 4.558 30 10 CJEE CCCCCCCCCCC(=O)c1ncnn1C(C)C 2164511028 BJGOUWLCFUCVDU-UHFFFAOYSA-N 279.428 4.573 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@@H]1CCCCC1(C)C 2164947395 KBEKWEKPGUDELZ-DLBZAZTESA-N 282.516 4.575 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166171648 PRJQPVLFZDAVRT-GDZNZVCISA-N 288.822 4.982 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1CC2(CCC2)CO1 2166569162 AMHOUVVZWQEAEV-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE C=CC1(CC[C@H](CNC(C)C)c2ccccc2)CCC1 2168027314 CTWMNYCNUBNOBF-GOSISDBHSA-N 271.448 4.905 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@]1(C#N)CCCC(C)(C)C1 2168542140 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4.786 30 10 CJEE CC(C)(C)C#CC(=O)c1cscc1OCc1ccccc1 2209498001 NZOJFPFJAULEBV-UHFFFAOYSA-N 298.407 4.559 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)Cc1ccccc1 2210075653 KMULDTJMRFWXLL-LJQANCHMSA-N 290.495 4.586 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1scc(C)c1C 2213656358 PLLPNBPAGSTZGW-FZMZJTMJSA-N 251.439 4.618 30 10 CJEE C=CCCCCCCCC1(C(=O)O)CC2(CC2)C1 2220079723 KRXGYWVWMALSNI-UHFFFAOYSA-N 250.382 4.548 30 10 CJEE C=CCCCCCCCN1CCC[C@@H](SC)CC1 2220096245 DHKMIUUISYKDCP-MRXNPFEDSA-N 269.498 4.731 30 10 CJEE C=C[C@H](CCCCC)OCc1cc(C)cc(Cl)n1 2223284404 DBJAQWZOZWIDCL-CQSZACIVSA-N 267.800 4.695 30 10 CJEE CCCCCCCC[C@H](C)NCC1C[C@H]2C[C@@H]2C1 2223853043 FNZBYTWXIJAEMF-XIRDDKMYSA-N 251.458 4.761 30 10 CJEE Cc1cc(Cl)cc(Cl)c1OCc1ccccc1C#N 2224413923 MGFILIQBDLKSFB-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H](C)O1 2226887636 MYPCRLFASOORAB-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE Cc1cc(SCCCCCC2CC2)nc(C)c1C#N 2227212549 RTTHLTOYHLAKDN-UHFFFAOYSA-N 274.433 4.633 30 10 CJEE C=CCCCCCCCC(=O)c1nc(CC)oc1C 2227271193 JEKYHDAOLSDTLB-UHFFFAOYSA-N 263.381 4.645 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CCC[C@@H]21 2227286793 NPWUAKFSDJRYLD-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC(=O)[C@H](OC)C1CCCC1 2227288132 SKONYDOOSSKXIL-QGZVFWFLSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC(=O)c1ccncc1CC 2227289797 BQCTWCKGGLSVHS-UHFFFAOYSA-N 259.393 4.743 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(C)c(OC)c1 2227732808 GEDUUTDWAYKMGX-QGZVFWFLSA-N 263.425 4.538 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@]1(C)CC=C(C)CC1 2229042295 JTVIZWPRKDHIRA-ROUUACIJSA-N 261.453 4.685 30 10 CJEE C=CC1(CN[C@H](C)c2cc(F)cc(Cl)c2)CCCC1 2229680791 GPJCPZVOSNZHJN-GFCCVEGCSA-N 281.802 4.876 30 10 CJEE C=C1CCC(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 2230671869 WDWCZSBBNPXKCQ-IKGGRYGDSA-N 261.453 4.681 30 10 CJEE CCCCCCCCCCOC[C@@H](NCC)C(C)C 2231019422 ZKIAVAYMMDBLES-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE C=C[C@@H](CCCCC)Oc1ncnc(Cl)c1CCC 2231039340 DSZRHWQSMRXAIH-LBPRGKRZSA-N 282.815 4.596 30 10 CJEE CCCCCCCCCCCO[C@@H](CNC)C(C)C 2231085742 XMUGCOYIGGGVJS-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](C)OC(C)(C)C 2231931973 FKAQRGWDXYCVHF-CVEARBPZSA-N 271.489 4.919 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@]1(CC)CCCO1 2231945334 FEDKCTFHVMVILK-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233528568 CFJMMGCIATWAKD-XMTFNYHQSA-N 278.484 4.561 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652587 MFUPCDSSVZHDBN-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCC[C@@H]1NCCC 2234046297 QGUYTXONOUXMEH-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE CN[C@H](CCCCCCC1CC1)c1cccc(C#N)c1 2234149263 UFUBSANNJKIAQT-GOSISDBHSA-N 270.420 4.569 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc([C@H](C)OC)cc1 2234967512 YQQRFJMTJKHRAB-YJBOKZPZSA-N 277.452 4.928 30 10 CJEE C=CCCCCCCC[C@@H](N)C[C@H]1OCCCC1(C)C 2235521192 HENXHMSOLRAEMW-IAGOWNOFSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cccc2c1OCC2 2235538636 JODVJQBZOOYHQA-QGZVFWFLSA-N 273.420 4.538 30 10 CJEE C=CC1(CNCC2(C)CC3(CC(F)(F)C3)C2)CCCC1 2238786317 LCPOKBZKOCBGGC-UHFFFAOYSA-N 283.406 4.538 30 10 CJEE CC1(Nc2ccc(Cl)cc2C#N)CC2(CC(F)(F)C2)C1 2238788823 KTPXYBZGJPYETC-UHFFFAOYSA-N 296.748 4.592 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(C)C=CCCN1 2239324349 INGOSVLISDQFKG-SFHVURJKSA-N 277.452 4.561 30 10 CJEE CCCCCCCCCOCc1cccc(CNC)c1 2239451097 ZPGWQBSICUNVKE-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE CCCCCCCCCOCC[C@@H]1NC[C@H](C)C[C@@H]1C 2239486516 HTSZNBSKSVEVSC-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCCOC(=O)C(N)(CC)CC 2239504692 ZORPTGMKHOTOMD-UHFFFAOYSA-N 285.472 4.578 30 10 CJEE CN[C@@H](C#Cc1cccc(Cl)c1)C1(C)CCCCCC1 2239558990 MFVSUBYKABMYRY-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccc(C2CCC2)cc1 2240253474 BHAMXAJJJRSAAB-BEFAXECRSA-N 270.416 4.892 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@@H](C)C1CCC1 2240639635 HPZDNUARUPBKSE-QAPCUYQASA-N 282.468 4.883 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc3occc3c2)CC1 2241186590 ZEPCTASVQBDIKZ-KRWDZBQOSA-N 269.388 4.830 30 10 CJEE CCCC[C@@H](CC)CSCCC#CBr 2242462206 AXRKNOLXUBKKQC-GFCCVEGCSA-N 277.271 4.682 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NCc1ccc(C#N)s1 2255380074 UUTDDNWILJOWLA-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CC(C)CCC[C@H](C)CCOC[C@H](CS)C1CC1 2257266506 DINXLWUDPRSJKP-GOEBONIOSA-N 272.498 4.812 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(Cl)cc1F 2259176794 QWERKZLSUKLGGK-HNNXBMFYSA-N 269.791 4.790 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CC[C@@H](C)S1 2259195231 QMHFFFGZDRZMMO-OWCLPIDISA-N 269.498 4.775 30 10 CJEE C=C(C)CCCC[C@H]1CCC[C@@H]1CNCC(C)C 2259231291 HRZFLEQQJQMDHD-DLBZAZTESA-N 251.458 4.785 30 10 CJEE C=C(C)CCCCN(C)[C@H]1C[C@H](C)CC(C)(C)C1 2259240210 XXAIJSKSIWVPRA-HOTGVXAUSA-N 251.458 4.879 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)C1CC(CC(C)(C)C)C1 2261197839 SBVPEUYOCZRSEE-LMPOIIKSSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@](C)(CC)O1 2263646666 IXUQEYIZQASJCZ-JKSUJKDBSA-N 255.446 4.632 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2264497269 YKBJUIBLAUHEDX-ACFGDAIXSA-N 263.469 4.760 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncc(C(C)(F)F)s1 2264502334 VOGNQLBCONLYGJ-MNOVXSKESA-N 286.391 4.802 30 10 CJEE CCCN[C@H]1CC[C@@](C)(CC=CC#CC(C)(C)C)C1 2268737539 WQRYRPYFBRHWKL-FUHWJXTLSA-N 261.453 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC(C)(C)CC[C@@H]1N 2268765375 IHGAXPQMEAYFMF-CVEARBPZSA-N 261.453 4.526 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C#N)CCOC(C)(C)C1 2269475831 VYKDZINNZUSXPG-HLLBOEOZSA-N 263.425 4.692 30 10 CJEE C=CCCCCCCCSCc1cccnc1C#N 2271582432 PQOICTZPSUVCRG-UHFFFAOYSA-N 274.433 4.713 30 10 CJEE C=C(C)CCCC[C@H](O)C1(C)CC2(CC(F)(F)C2)C1 2271790261 DKMYBMMHHGFDKW-ZDUSSCGKSA-N 272.379 4.699 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCCCC)OCCN 2276908282 XADRHTMRGXVRAQ-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C1C2CC3CC(C2)CC1C3 2277557590 QSRHDLVQZAGPPI-NGLXHFHWSA-N 257.421 4.779 30 10 CJEE CCCCCCCCC[C@@]1(C)NC2(CCC2)CCO1 2278126833 HSKCIRFWXVMQIW-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(OCC)CC1 2278233132 CAVJJYRDFKXMAK-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)C1 2280054388 GKEBIXOGFNCZPX-NNCLKIPCSA-N 295.536 4.623 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 2281051084 QNFDMJOMJRQLKL-FKSLSLAPSA-N 275.480 4.927 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)[C@@H]1CC2CCC1CC2 2284074748 DNXHBOSJMBYLBI-WXVPWVKJSA-N 274.448 4.560 30 10 CJEE C=CCCC[C@@H](C)NCCCN(CCCC)CCCC 2286801161 RKHVACWCUGESMA-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCn1c(C(F)(F)F)nc2c1CCCC2 2286978030 PKAOXTKXEZGVMA-UHFFFAOYSA-N 286.341 4.527 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ncoc1C1CCC1 2287412918 GOZGFOYGPKCEGK-OAHLLOKOSA-N 276.424 4.729 30 10 CJEE CCCCCCCCCCCC(=O)c1nn(C)cc1C 2290211027 VDTXZNIGAMHWJM-UHFFFAOYSA-N 278.440 4.832 30 10 CJEE C=C(C)CCCC[C@@](C)(CC(C)(C)C)OCCC(=O)O 2292730375 FRNKFGXHSRVJCE-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1ccccc1Cl 2292766230 FYJVKNGYVYBNHV-KRWDZBQOSA-N 295.854 4.883 30 10 CJEE CCCCCCCC1(OCCCN)[C@H]2CCC[C@H]1CC2 2293683751 RXPNPQSDNRXZPW-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CN[C@H](C#Cc1ccccc1Cl)C1CCCCCCC1 2295199949 IIDCWJHHAMBICJ-GOSISDBHSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(CN)CC[C@@H](C)C1 2295587240 ASXLAEHLLAPNMJ-FGTMMUONSA-N 283.500 4.643 30 10 CJEE C=C1C[C@H]1COc1ccc(Br)cc1C(C)(C)C 2302319955 JIVYBHAFYWEXLO-NSHDSACASA-N 295.220 4.702 30 10 CJEE C=C[C@](N)(c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2307640197 MARCWTROLKWAJU-AWEZNQCLSA-N 272.219 4.688 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]1CF 2312118302 YQHIIVHBUBWKKB-BZUAXINKSA-N 256.405 4.650 30 10 CJEE C[C@H]1CC[C@H](CSCc2ccc(C#N)cc2)CC1 2313808052 AZSUYGIFIDXWLC-CTYIDZIISA-N 259.418 4.618 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2313822949 ZTWPBMSTLIPAKE-NOZJJQNGSA-N 290.209 4.995 30 10 CJEE C=CC1(CNc2cc(C3CC3)ccc2Cl)CCC1 2316261004 LRXGTTTZNJMZFS-UHFFFAOYSA-N 261.796 4.986 30 10 CJEE C=CCC(CC=C)[C@@]1(CO)CCCC(C)(C)CC1 2316713637 ZDWFANXWRCGEQF-KRWDZBQOSA-N 250.426 4.724 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C#N)CCS[C@H](C)C2)CC1 2320337341 MCRDALMGGLPOKB-OAGGEKHMSA-N 263.450 4.938 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)s1 2321101817 MAXHECPVXXJGHR-VXGBXAGGSA-N 277.355 4.759 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C)CCCCC1)NC 2321117434 OHYQVDBFNNIQPK-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CC#CCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2325215111 WCUBNGOAADLOFD-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CSc1ccccc1OC[C@](C)(CS)C(C)(C)C 2327164517 AJCGROQSNJFWKT-OAHLLOKOSA-N 284.490 4.770 30 10 CJEE CSc1cc(F)ccc1C(=O)C1=CCCCCC1 2328544343 FKBUAJNPPGFKCI-UHFFFAOYSA-N 264.365 4.621 30 10 CJEE Cc1ccc(C(=NOCc2cccc(F)c2)C2CC2)c(C)c1 2330317035 NQHMBDNCYLUXEV-UHFFFAOYSA-N 297.373 4.773 30 10 CJEE CCCCON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2330324929 SSVISWBXTIKVPH-UHFFFAOYSA-N 273.420 4.915 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1OC)NCCC 2331743305 CYZYXZSCOZWFMH-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332825048 CAWJLRWISSBACW-DKIMLUQUSA-N 253.389 4.900 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334490108 ULUWIXQDIJOLMB-TTZDDIAXSA-N 273.411 4.638 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CC)CC[C@@H]1NCC 2335095740 FOWMTBSMYQWVKL-BHYGNILZSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Sc1cc(CC)ccc1C(=O)O 2335097264 WCDYKNBTEGPHHA-UHFFFAOYSA-N 276.401 4.560 30 10 CJEE C=CCC1(NC[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCC1 2339091525 NZDBSFNUKYPXPA-ULQDDVLXSA-N 261.453 4.681 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ncccc1C(C)C 2340240293 CCFYBIYCAARPAF-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CCCC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341113143 CCFILYCKWYLEPV-INIZCTEOSA-N 298.257 4.708 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)cccc1OCC 2341584889 LWEUGVONYSDJHS-CQSZACIVSA-N 267.388 4.585 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(C2(C)CC2)c1 2341922054 INQNBXBQSNTEPQ-KRWDZBQOSA-N 257.421 4.745 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1[C@@H]2CCCCC[C@@H]12 2344349202 QTVSMXIRJUPHTQ-BFYDXBDKSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)cc(F)c1 2344394805 GJIOAUCCRINXBA-SJORKVTESA-N 263.400 4.777 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCC(C)(C)C1 2344856044 ZKTJEOYVDWTJHO-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)[C@@]12CCCC[C@@H]1C2 2357354677 LKXHGCJOYWGXDN-CEXWTWQISA-N 273.464 4.519 30 10 CJEE C=CCC(CC=C)SCc1ccc(CNC(C)(C)C)o1 2360202969 WFBUZHLWLBLKFA-UHFFFAOYSA-N 293.476 4.922 30 10 CJEE C=CCOc1ccccc1CNc1cc(Cl)ccc1F 37256577 ZJKJGJRUXWPPNQ-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE Cc1cc([C@@H](C)N[C@H](CC#N)c2ccccc2)c(C)s1 55018141 RHJQHRHWPOGAPQ-CXAGYDPISA-N 284.428 4.671 30 10 CJEE CCCCCCCCNc1cccc(N2CCCC2=O)c1 59090686 NGECLIKCTAGBBP-UHFFFAOYSA-N 288.435 4.586 30 10 CJEE CCCCCCCCOCCCOc1ccc(C#N)cc1 59184545 MRGDBHFKLSHODV-UHFFFAOYSA-N 289.419 4.704 30 10 CJEE CCCCCCCCCOc1cccc([C@@H](C)O)c1 59292854 DJPGYMFTCNYURP-OAHLLOKOSA-N 264.409 4.869 30 10 CJEE CCCSc1ccc(C)cc1-c1csc(CC#N)n1 76561191 SHYDRSFVXBCPBV-UHFFFAOYSA-N 288.441 4.687 30 10 CJEE CCc1sc(-c2cc(Cl)ccc2OC)cc1C#N 77097568 DRLTXIGPMZLKCO-UHFFFAOYSA-N 277.776 4.511 30 10 CJEE COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1Cl 83194352 DTVCVBJNFAKGDA-VQHVLOKHSA-N 286.758 4.553 30 10 CJEE C=CCc1cc(N)ccc1OC[C@@H](CC)CCCC 89064614 JKMJIIHIVANHBP-AWEZNQCLSA-N 261.409 4.593 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(C(C)C)cc2)C1 91881602 PSIUWQMNEHAWGG-OLMNPRSZSA-N 271.404 4.563 30 10 CJEE C[C@@H]1C[C@H](OCC2(CS)CCCC2)CC(C)(C)C1 94584009 ZAHPBGCLMYAOEH-KGLIPLIRSA-N 270.482 4.708 30 10 CJEE C=CCCC[C@H](Cc1ccc2ccccc2c1)NCC 97219747 FJJCHQCCIWLMNX-LJQANCHMSA-N 267.416 4.717 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 103983016 WZPDDNWHGTYZKH-JYJNAYRXSA-N 270.457 4.549 30 10 CJEE CCCCCCCOc1ccc(-c2cscn2)cc1N 104282742 YMQDLUNLJCDLFJ-UHFFFAOYSA-N 290.432 4.742 30 10 CJEE CCCCCCCOc1ccccc1C(=O)C(F)(F)F 107734098 WMMQXMYDLOQSHP-UHFFFAOYSA-N 288.309 4.781 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)c(F)c(F)c1 109730202 AJGUDOCOBCAHAH-AWEZNQCLSA-N 273.342 4.854 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1ccc(C)cc1C 110081353 HPILBTLXMSNCLC-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCCN(CC1CC1)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 110264086 AMURHKZLPVUDSI-KURKYZTESA-N 290.495 4.853 30 10 CJEE N#Cc1ccc(Sc2ccc3c(c2)CCC3)c(Cl)c1 110354139 UULMYLFJJTYONF-UHFFFAOYSA-N 285.799 4.852 30 10 CJEE CCCCCCCCCN(C)c1cccc(C(N)=S)c1 110917917 XDWLBJALZVOZLM-UHFFFAOYSA-N 292.492 4.508 30 10 CJEE CCCCCCCCCCCCN1[C@H]2CC[C@H]1CC(O)C2 111394610 NLSZTKKJBUNJKR-ROUUACIJSA-N 295.511 4.895 30 10 CJEE CC(C)c1ccc(CNc2ccc(C#N)cc2Cl)cc1 111610372 ZJEVXTQPACVJCN-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE CCCCCCCCCCCc1nc([C@@H](N)CC)no1 115861804 LKIAAQVCMZECSX-AWEZNQCLSA-N 281.444 4.553 30 10 CJEE C#Cc1cccc(NC(=O)CCCCCCCCC)c1 115861934 HSMUWWOVBBALIV-UHFFFAOYSA-N 271.404 4.747 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(N(C)C)CCC[C@H](C)C1 118184354 OQHCJBNRVVOUPV-GBESFXJTSA-N 297.527 4.999 30 10 CJEE CCCCCCCn1ccc([C@H](CC)NCC)c1 118242957 SIEVEWXOGNREOB-INIZCTEOSA-N 250.430 4.519 30 10 CJEE Cc1cccc(CC[C@@H](C)Nc2cc(C#N)ccc2Cl)c1 127811997 KLXGMWVGIRTRQJ-CQSZACIVSA-N 298.817 4.953 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(F)cc2C)CC1 128623917 KXAOCJATECOCAW-UHFFFAOYSA-N 259.368 4.787 30 10 CJEE CCCCCCCCCC[C@](C)(C#N)C(=O)OCC 136075284 LWTAGCZGFOXBGN-MRXNPFEDSA-N 267.413 4.610 30 10 CJEE CSc1cccc(Nc2c(C)cccc2Cl)c1C#N 136678373 AHBUCVCJSGAESE-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCCCCCCCCCCCCCOC(=O)[C@H](C)N 137331776 OGRCQGKJWFJROA-INIZCTEOSA-N 285.472 4.578 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnn(C)c1C 139492750 BZYQBTRBYWMPJE-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE CCCCCCC[C@@H](CC[C@H](C)OC)NCCC 139569077 ZVAKWUZDUKVGTM-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@H](CCCOCC)NC 143425843 DVCQBPQLQXFFNN-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H]1CCOC1)NCC 156440368 RBCIRJQBSQHZPC-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](OCC)C(C)C 158231141 RJOXJHOKRIRDAZ-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc2ccccc2o1 159195397 HNEYNCXIFXOOKL-HNNXBMFYSA-N 257.377 4.830 30 10 CJEE CCCCCCCCCCC[C@@H](N)C1=CCCCO1 160268419 QYQIFMFVLDUYGT-MRXNPFEDSA-N 267.457 4.929 30 10 CJEE CC(C)c1cccc(OCc2ccc(C#N)cc2Cl)c1 162966175 YUHVJWRODCKINX-UHFFFAOYSA-N 285.774 4.914 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1 165765540 IQAPWLWUZQEOGM-OAHLLOKOSA-N 268.832 4.595 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(N)c(F)c1 166056623 HXKDQQBZNKSBAL-HXUWFJFHSA-N 299.455 4.656 30 10 CJEE C=CCCC[C@H](NCC)c1cc2sccc2s1 167722717 GFFAGXYPCGRFNT-NSHDSACASA-N 265.447 4.970 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CCCC1 167738849 WRLYDKBETXLYIE-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCc1ccc([C@@H](C)Nc2ccc(C#N)cc2F)cc1 168250932 WMDHLJBEMYPFCM-CYBMUJFWSA-N 282.362 4.823 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)CC1 168283161 PGGHMTCCPQLCQD-UKRRQHHQSA-N 274.383 4.858 30 10 CJEE CCCCCCCCCCOc1ccc(N)c([N+](=O)[O-])c1 206198794 PQWVOXSZHDLQJO-UHFFFAOYSA-N 294.395 4.697 30 10 CJEE C=C(C)C[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 219512512 TXCANJMSSVSDTD-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC(C)(CC)CC2)C1 222807622 VSTMXVZPFXRGCU-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE CCCCCCCC[C@@H](O)c1cnccc1C(F)(F)F 225540489 ZOKQSDMQNCSGBI-CQSZACIVSA-N 289.341 4.884 30 10 CJEE C#C[C@@H](CC)N[C@@H](c1cccs1)c1ccc(Cl)s1 229881983 KURSGWHTFBDDHH-HZMBPMFUSA-N 295.860 4.554 30 10 CJEE C=CCCCCCNc1ccc(Br)cc1C 235738668 RUILDAAAYIJMAT-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CCCCCCCCCCN1CCCN2CCCC[C@H]2C1 250841366 XZSNHHOIARPQOU-IBGZPJMESA-N 294.527 4.687 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@H](C#N)c1cccc(Cl)c1Cl 251565867 AMKKDHCBRHBICC-DDTOSNHZSA-N 297.229 4.726 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)[C@@H]1CCCCC[C@H]1C#N 251589277 XILHBYUZGCVUPC-JKIFEVAISA-N 290.838 4.805 30 10 CJEE Cc1ccc2nc(O)c(C=Nc3cccc(C)c3C)cc2c1 254431862 CJTVDTSIWDPJAD-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE CC(C)c1cc(C2(C#N)CCCCC2)c(F)cc1F 260250241 BICQOJYEVNWNCE-UHFFFAOYSA-N 263.331 4.814 30 10 CJEE N#C[C@@H](c1cccc(Cl)c1F)[C@@H]1C[C@H]2CC[C@H]1C2 302326926 HNENYLNRKDFAGC-DJIHRAIXSA-N 263.743 4.522 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1CCCCC1(C)C)C(F)(F)F 311504179 MDVKAXFIFQEECY-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1/C=C\C(=O)O 312209363 SDSLJJWDVJMHBF-YFHOEESVSA-N 294.778 4.563 30 10 CJEE CCCCCCC[C@H](C#Cc1ccccc1)NCCC 314961026 PPDFBTMYRBQOFP-LJQANCHMSA-N 271.448 4.767 30 10 CJEE C=C(CC)CC1(CNCC)CCC(CCC)CC1 317665012 JSOHNVGEKARDQV-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 379849729 OONIFGLSLRPYIQ-BRSBDYLESA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](CCCCOC)NCC 385077532 VUQKYGNOJACTCB-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=C([C@@H](NCC)c1cc(Cl)ccc1Cl)C(F)(F)F 385874354 ZJWFHSLVXOKOJH-LLVKDONJSA-N 298.135 4.763 30 10 CJEE C=C(COC)[C@H](CCCCCCCCCCC)NC 386627132 KTKIPMUOORCSQW-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=C(COCC)[C@@H](CCCCCCCC)NCCC 387681178 SFDXNOWDDUYUPG-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCCCCCC[C@H](O)c1cc(Br)oc1C 396559049 VTTZAIJPFDFNBX-LBPRGKRZSA-N 289.213 4.744 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CCC(C)(C)C 399782093 LLILOBBPUZFQIT-KRWDZBQOSA-N 284.532 4.822 30 10 CJEE C=C[C@@H](C)ON[C@@H](c1cccs1)c1ccc(Cl)s1 400926927 MDOFPKNXGNWGIR-RNCFNFMXSA-N 299.848 4.648 30 10 CJEE CCCCCCCCCCNCCC1(O)CCCCC1 404207526 UNAWGDQAIWVAMU-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE C=CCCc1ccccc1NC(=O)CC1CC(C)(C)C1 512780251 YJWLXMCYBJUMKM-UHFFFAOYSA-N 271.404 4.570 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC2(CCC2)CC1 672758661 SXOLRKQKFMGRCN-UHFFFAOYSA-N 298.430 4.603 30 10 CJEE C#CCCCCC[C@H](NCC)c1c(F)cccc1Cl 686691533 XCPYLNGFGXBILW-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE C#C[C@H](Nc1cc(C)c(Cl)c(C)c1)c1ccccc1 690281015 DRTZYJXPJATRIA-INIZCTEOSA-N 269.775 4.743 30 10 CJEE C=CCCCCCNCc1cc2cscc2s1 693928812 GMOOZJJOANKHOX-UHFFFAOYSA-N 265.447 4.799 30 10 CJEE C1CCC(CCC/N=C2/N[C@H](C3CCCC3)CS2)CC1 694078503 NKJZMZNYBXZYPE-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=CCCSCCN[C@H](C)CCCCCCC 696079687 RKHZRQGRRFZRLV-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE CC1(C)CCC[C@H](N[C@H](CC#N)c2ccccc2)CC1 697596271 SVIDRXYWICXZOJ-DLBZAZTESA-N 270.420 4.590 30 10 CJEE CCCCCCCNC1CC(c2cccc(OC)c2)C1 703718739 XNFANGDXUXIXFX-UHFFFAOYSA-N 275.436 4.501 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCCC[C@@H]1OC 704979742 LZRWNZXGSYITBJ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@@H]1C(=O)CCN1C1CCCCCC1 712029497 KCAVZQLIKNZFNQ-QGZVFWFLSA-N 279.468 4.713 30 10 CJEE CCCCCCCCCC[C@@]1(N)COC[C@H]1CC(C)C 716272358 RQMWETHQKYULJN-QZTJIDSGSA-N 283.500 4.907 30 10 CJEE C#CCCC[C@@H](NCCC)c1cscc1C(F)(F)F 717178193 OBYLFNNJJQHXBY-CYBMUJFWSA-N 289.366 4.611 30 10 CJEE CCCCCCCNc1nc(C(C)(C)C)c(C(=O)O)s1 721422299 GIXIGYXKTHNTOA-UHFFFAOYSA-N 298.452 4.521 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 723627927 ZYGJFTSCMWLTCS-BFYDXBDKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 724608401 KKGXGFUKUWAADE-ZDUSSCGKSA-N 292.806 4.813 30 10 CJEE CSc1c(C(F)F)ccc2scc(CC#N)c12 725296432 XRRKEXIMWYISGR-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE CC(/C=C\C(=O)c1ccc(C#N)cc1F)=C/c1ccccc1 781109141 XJRPXHVPGQGIHF-LEVXKPJESA-N 291.325 4.540 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1ccccn1)c1ccccc1 883327111 RAFCWDBAKZTGMQ-LPHOPBHVSA-N 280.415 4.830 30 10 CJEE C=CCCC(=O)N[C@@H](CCC(C)C)c1ccc(Cl)cc1 1125235690 UIRMICHGEMPGKP-INIZCTEOSA-N 293.838 4.900 30 10 CJEE C=CCC[C@H](C(=O)N1CC[C@@H](C)C[C@@H](C)C1)c1ccccc1 1133686545 IWVBRCSKFMVBBG-LMMKCTJWSA-N 299.458 4.631 30 10 CJEE C=CCCCCCCCNc1nc2ccc(F)cc2o1 1163437762 WUAAIHZFXZNASM-UHFFFAOYSA-N 276.355 4.905 30 10 CJEE C=C(CC)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 1168310918 WPNARJSNHRPKTC-UHFFFAOYSA-N 292.426 4.679 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C)c1cccs1 1180917475 UVZSKWBIHNCXDI-KGLIPLIRSA-N 251.439 4.924 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cc(C)ccc1C 1267300784 LBVGQPAZCRDXRN-PBHICJAKSA-N 260.377 4.510 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 1307470008 IYGXDWYDWUHUFA-INIZCTEOSA-N 282.431 4.688 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCc3ccc(Cl)cc32)C1 1308482640 RQICTLUXQTVIHD-PVUWLOKVSA-N 275.823 4.662 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C(/C)c1ccccc1Cl 1357587090 NDVWLXUJFCMJKB-WUFNSSIPSA-N 291.822 4.604 30 10 CJEE C#CCCCCCCN1CCCC[C@@H]1CCC(C)C 1473253460 NKWNSOUSRRZCJI-GOSISDBHSA-N 263.469 4.861 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)C1 1473928171 GJAVFSRDOYGMSV-DVOMOZLQSA-N 291.435 4.697 30 10 CJEE C=CCCCCCCCNCc1cc(C)cc(C)c1 1474168494 ZHTIMMCIJQYBEX-UHFFFAOYSA-N 259.437 4.920 30 10 CJEE C=CC1CCN([C@H]2C[C@H](C)Sc3sccc32)CC1 1474311658 SFDNLVWANDNQFB-FZMZJTMJSA-N 279.474 4.572 30 10 CJEE C=CCCCN(CC)C(=O)NCC1(CCC=C)CCCC1 1478967658 LSBTXTYZQJWCAR-UHFFFAOYSA-N 292.467 4.511 30 10 CJEE C#Cc1ccc(CNC(=O)[C@H](C)CCCCCCCC)cc1 1526683912 OFBIUMWKOVIFAR-QGZVFWFLSA-N 299.458 4.671 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H]1CCCc2ccc(Cl)cc21 1543609865 CHHFGYWVZUMQLK-HNNXBMFYSA-N 292.806 4.863 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 1559939246 LLZIJHOCNCQWNW-QWHCGFSZSA-N 296.241 4.790 30 10 CJEE C=CCC1(C(=O)NCc2cccc(C(C)C)c2)CCCC1 1585321427 CSMMFXNZCCHSNQ-UHFFFAOYSA-N 285.431 4.563 30 10 CJEE 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30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(C)cc1F 1665565960 IXYMREICTUVRTE-UHFFFAOYSA-N 292.398 4.782 30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(C)cc1C 1667530390 OXYIGJKUQRAYRZ-UHFFFAOYSA-N 288.435 4.952 30 10 CJEE N#Cc1ccccc1NC(=O)Sc1ccc(Cl)cc1 1860397234 NOWFTAXTVMVRTM-UHFFFAOYSA-N 288.759 4.536 30 10 CJEE CC#CCCC[C@H](NCC)c1cc2ccccc2s1 1879643879 KPDQERCJFIFVGA-HNNXBMFYSA-N 271.429 4.746 30 10 CJEE CCCCCCCCCCN1C[C@H]2CC[C@@](F)(C2)C1 1883834377 IUJARHRRIKLZAR-DLBZAZTESA-N 269.448 4.951 30 10 CJEE CCCCCCCCCCN1CC(OC(C)(C)C)C1 1883846095 FWBGLYPAPDVVQW-UHFFFAOYSA-N 269.473 4.626 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1csc2ccccc12 1883922946 BQYKRWPUZPXQFC-OAHLLOKOSA-N 271.429 4.832 30 10 CJEE CC#CCCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21 1885239135 YGRRRFAOCGDGNS-MLHJIOFPSA-N 261.453 4.504 30 10 CJEE CCCCCCCCN(C)c1ccccc1[C@@H](C)N 1887138207 PQTGMVRITGDLIB-OAHLLOKOSA-N 262.441 4.503 30 10 CJEE C#CC[C@@H](CC(=O)c1cccc2ccsc12)C1CC1 1887417426 NPPVHLVQMKSUMU-AWEZNQCLSA-N 268.381 4.524 30 10 CJEE 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296.252 4.620 30 10 CJEE C=C1CCC(N[C@H](C)c2ccccc2Br)CC1 1951231896 UDKKSHAHKZLUNA-GFCCVEGCSA-N 294.236 4.599 30 10 CJEE CCCCCCCCCCC[C@@H]1CC(=O)CCO1 1951739308 SOKNIQOORUDRRP-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE C=C(C)CCc1ccc(Cl)c(Br)c1 1953819381 IPLZOAHGYUFFLH-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE C=CCC[C@H](C)Oc1ccc(Br)c(Cl)c1 1958087126 XLPRRTKJTBXKLM-VIFPVBQESA-N 289.600 4.836 30 10 CJEE Cc1ccc(C(C)C)cc1NCC(C)(C)CCC#N 1968598015 QLLJQYCZUBZEHT-UHFFFAOYSA-N 258.409 4.860 30 10 CJEE CC1(C)CCC[C@@H](CNc2ccc(Cl)cc2C#N)C1 1970086597 RIYIMIRDSILKJC-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCCC(F)(F)CC1 1973599484 PJLFYDKUULYEDW-SNVBAGLBSA-N 284.737 4.592 30 10 CJEE C=CCC[C@H](C)[C@@](C)(O)c1c(Cl)cccc1Cl 1996459534 AHQLYLWLWGTWBZ-IINYFYTJSA-N 273.203 4.803 30 10 CJEE CCC[C@](C)(C#N)Cc1cc(C(F)(F)F)cs1 2000521930 ZHZFJQKEMFWKMP-NSHDSACASA-N 261.312 4.639 30 10 CJEE C=CCCCC[C@@H](NC)c1ccc(C)cc1Cl 2009481338 HNZSPJLXNYPJMO-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE 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4.621 30 10 CJEE CC(C)(C)CCOC[C@@]1(C#N)CCCCC1(C)C 2053391213 ZJXCNSOCHOWTDH-INIZCTEOSA-N 251.414 4.549 30 10 CJEE C#CCCN(CCCCCCCCCC)C(C)C 2056006655 AXIJEFNCXGWALL-UHFFFAOYSA-N 251.458 4.861 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2sncc2c1 2057009148 LDYYECOMTTZDAO-CQSZACIVSA-N 262.422 4.657 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2CCCCS2)CC1 2061191223 DIPQSHHYMWAOQO-UONOGXRCSA-N 266.450 4.614 30 10 CJEE CCCCCCCC[C@H](O)C1C[C@H]2CCC[C@@H]2C1 2063507241 FVSGTQNGDBJFHA-INMHGKMJSA-N 252.442 4.924 30 10 CJEE CCCC[C@](C=O)(CC)C1CC2(C1)CC(C)(C)C2 2063796531 AIWCYOHVEZKZDK-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE CC[C@](C=O)(CC1CC2(C1)CC(C)(C)C2)C(C)C 2064511619 HKNUCKGLYBPOGH-QGZVFWFLSA-N 250.426 4.844 30 10 CJEE CCCCCCCCC[C@@H](N)CC[C@H](C)COC 2067310897 CEFHKSKBEFKOTF-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE C[C@H](CC[C@]1(C#N)CCCC12CCC2)C(F)(F)F 2071517904 RDBRZRRRTVYNCU-YPMHNXCESA-N 259.315 4.829 30 10 CJEE CCCCCCCCCC1(N)CCP(C)(=O)CC1 2073260830 HFRMOIUVYAUXRI-UHFFFAOYSA-N 273.401 4.611 30 10 CJEE CCCCN(C[C@H](CC)CS)C1CCCCCC1 2076546490 BKFPAMPGGCADQT-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CCCCCC#CC[C@@H](N)c1ccc(Cl)c(C)c1 2083446471 HYJHDIFWQOMBRO-MRXNPFEDSA-N 263.812 4.622 30 10 CJEE C=CCCCCCC[C@@H]1CCCC(F)(F)[C@H]1NC 2085841593 JEBSVRFKSNIGQP-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H]1CCCC(F)(F)C1 2085856515 NJQRELYQXUUQOC-UONOGXRCSA-N 259.384 4.666 30 10 CJEE C=CCCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)O 2085926198 UUDRUOONDAMKII-ZNMIVQPWSA-N 252.398 4.650 30 10 CJEE CC(C)C1CCC(C#N)(CC2(C)CCOCC2)CC1 2087535095 BGMDZFGAYTTWLN-UHFFFAOYSA-N 263.425 4.549 30 10 CJEE C=CCCCCC[C@@]1(CNC2CC2)CCC(F)(F)C1 2090728590 URJOFBYYJDVCQJ-OAHLLOKOSA-N 271.395 4.681 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)C[C@H](C)CC 2092190373 OJRIZRKTABNHLK-IXDOHACOSA-N 271.489 4.642 30 10 CJEE C=C([C@@H](NCC)c1csc2c1CCCC2)C(C)(C)C 2096635503 ZHKBIJGSFTVFRY-MRXNPFEDSA-N 277.477 4.880 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@H](C)CC(C)C)C[C@@H](C1)C2 2097621272 HLEVOHQKPACXGP-VQVIJEGRSA-N 263.469 4.782 30 10 CJEE CC[C@](N)(CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 2098389999 CFRRISAARHDQFW-INIZCTEOSA-N 298.257 4.997 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](CC)c1ccccc1 2102112363 RYRRPJUZDBRMQH-RYQLBKOJSA-N 259.437 4.761 30 10 CJEE C=CCC[C@H](C)[C@H](N)[C@@H](c1ccccc1)[C@@H](C)CC 2102112872 VWZAMLIJHKGELC-ONIAQPFYSA-N 259.437 4.746 30 10 CJEE C=C([C@H](NCC)c1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C 2107934135 PFRRPUJHMFZDOJ-FFSVYQOJSA-N 261.409 4.656 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1cc2ccccc2s1 2108713679 YHRZYQQWKHYZAY-KRWDZBQOSA-N 273.445 4.634 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC2(CF)CCC2)C1 2109272846 WSDOKUBVRLBKQS-UHFFFAOYSA-N 268.416 4.938 30 10 CJEE C=C([C@@H](NCCC)[C@H]1[C@H]2CCCCC[C@H]21)C(C)(C)C 2110948019 YSWDRSXWYICYSZ-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE C=C(CC)C[C@@H]1CCCc2ccccc2[C@@H]1NCC 2114581411 UZVSHRRDAYXOLM-FUHWJXTLSA-N 257.421 4.646 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@](C)(CC)CC[C@@H]1O 2114917405 SICFIPZELMUYBX-BBWFWOEESA-N 270.457 4.693 30 10 CJEE CCCC(CCC)[C@@H](O)[C@@]1(C#N)CCCC(C)(C)C1 2115644814 DRYNOKMMDUQNAE-WBVHZDCISA-N 265.441 4.674 30 10 CJEE CCC[C@]1(C)CSC(=NCC2(C)CCCCCC2)N1 2116018493 QYKDMICVURTSTP-MRXNPFEDSA-N 282.497 4.598 30 10 CJEE C#CCCCC[C@H](NCCC)c1ccc(C)cc1C 2116844963 LLHJZXMTSYWNOJ-SFHVURJKSA-N 257.421 4.538 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@H]2C(F)(F)F)CCCC12CC2 2116994717 JVPKMXYROSQAHU-YRGRVCCFSA-N 271.326 4.829 30 10 CJEE N#C[C@@]1([C@H](O)c2ccc(Cl)c(Cl)c2)CCCC12CC2 2117002186 WEDPSCPCKDZHAO-UKRRQHHQSA-N 296.197 4.501 30 10 CJEE C=CC1(NCc2ccccc2C(C)C)CCCCC1 2121652975 GDXRYFWCANANFV-UHFFFAOYSA-N 257.421 4.789 30 10 CJEE CCC1(CC)CC(N(C)c2cc(Cl)ccc2C#N)C1 2122767736 KDTPKNRCMXEWJL-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@]2(C)C[C@H]2C(F)(F)F)CC1 2125187670 ROJZSIXGGSBSID-QKCSRTOESA-N 274.326 4.527 30 10 CJEE O=C[C@]1(CC[C@]23CCC[C@@H]2C3)CCCCC12CCC2 2125596538 ICJHJHVXWYKSJD-SOLBZPMBSA-N 260.421 4.886 30 10 CJEE C[C@@H]1C[C@@H]1CCCN(C)CC1(CS)CCCCCC1 2126503842 SHLANUBWYNAOPN-CVEARBPZSA-N 283.525 4.625 30 10 CJEE C=C[C@@H](C)C[C@@H](CC1CC2(C1)CC(C)(C)C2)NCC 2126790291 BGXZIEMCYBAPTL-ZBFHGGJFSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2127026607 UHXLHRQCUSGRGR-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NCc1ccccc1Cl 2128006329 HWOZWIUNUZNJJR-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC[C@@H]1CC[C@H](Nc2cc(Cl)c(F)cc2C#N)[C@@H]1C 2128012826 MARBXOZJKNMDFM-RULNRJAQSA-N 280.774 4.587 30 10 CJEE CC[C@H](CCC(C)C)NC[C@H](C#N)C1CCCCC1 2129530860 LMGVWRGEBLPZJB-DLBZAZTESA-N 264.457 4.511 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC#C[Si](C)(C)C)C1 2130931178 ZMBLMPUVLPSPTC-UHFFFAOYSA-N 278.512 4.679 30 10 CJEE CC(C)(C)CC1CC(Oc2ccc(C#N)cc2Cl)C1 2131769361 LFYLHMDFEYVXFJ-UHFFFAOYSA-N 277.795 4.805 30 10 CJEE CCCCCCCCCCOC1(CC(C)C)CNC1 2131839312 QALBEACOUBSJRW-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE C=CCC[C@H](C)N(C)C[C@@H]1C[C@@H]1C1CCCCCC1 2135478377 JCZLLQNNRPZRLO-RYQLBKOJSA-N 263.469 4.879 30 10 CJEE C=CC1(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCCC1 2136414110 XUHZAJAHUWYOKC-GVDBMIGSSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@](C)(N)c2ccccc2CC)CC1 2136480770 GVYIJSQVAGDDNP-SFHVURJKSA-N 257.421 4.559 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccccc2CC)CC1 2136487389 ANDYMKRCEKMCDW-OAHLLOKOSA-N 257.421 4.646 30 10 CJEE CCCCC#CCC1(CNCC)CCC(CC)CC1 2138990376 LUUBZOKSIPMUQX-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CCCCCC#CCC(=O)[C@]12CCCC[C@H]1CCC2 2139052125 ONGPRQDHQWEAMR-WMZOPIPTSA-N 260.421 4.890 30 10 CJEE C=CCCCCCCCCC=C(C)[C@@H]1[C@H]2CN[C@H]1C2 2142433933 HOMWBPCRSYUJNK-FGTMMUONSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CCCCCN 2142444251 RJFYXVLUPZZZQT-QGZVFWFLSA-N 269.473 4.563 30 10 CJEE C=CCCCCCCCCNCCSCC(F)(F)F 2142451969 BYDHSSHITRUKRH-UHFFFAOYSA-N 297.430 4.788 30 10 CJEE CCCCCCCC[C@H]1CC(=O)c2ccccc2O1 2142460814 ITRVDSMSWQEQSD-AWEZNQCLSA-N 260.377 4.771 30 10 CJEE CCCCCCCOC1(C(=O)O)CCC(C(C)C)CC1 2143410961 JZJJWRPWAWWZCJ-UHFFFAOYSA-N 284.440 4.643 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C3CC3)cc2)CC1 2145752593 DHUDBNGVNBSHGW-IBGZPJMESA-N 269.432 4.961 30 10 CJEE CCC[C@@]1(C)CSC(=NCC(C)(C)C2CCCCC2)N1 2146577844 OAXQDNDJDGVKHW-KRWDZBQOSA-N 296.524 4.844 30 10 CJEE C=CC[C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 2149117418 MCBPGIQLJVTYOA-ILXRZTDVSA-N 289.385 4.643 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](CN)C1CCCC1 2150158238 RZBVNVVCIXHBHS-ZWKOTPCHSA-N 283.500 4.643 30 10 CJEE CSc1ccccc1[C@H](C)N[C@H]1CCCCC[C@@H]1C#N 2152741468 BAYVMEFSVPJHKG-LZWOXQAQSA-N 288.460 4.532 30 10 CJEE CC(C)C[C@@H](C)[C@H](C)N=C1NC2(CCCCCC2)CS1 2153918354 CYMUMMKVUWVKGK-CABCVRRESA-N 296.524 4.843 30 10 CJEE C=C1CCC(CNC[C@H]2CCC[C@@]3(C2)CC3(F)F)CC1 2156162912 OWUDVVFYGFARSG-JKSUJKDBSA-N 283.406 4.538 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@H](OC)C1(C)C 2156672864 LYKPWPJERYLHBB-IKGGRYGDSA-N 283.500 4.776 30 10 CJEE C=CCC[C@H](C)[C@@H](CC12CC3CC(CC(C3)C1)C2)NC 2158322056 ZNGVOGRKOPMISI-RZVNPHJZSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)c1cc(C)cs1 2158609626 VIFBQCPEAAQPSO-RDJZCZTQSA-N 297.508 4.819 30 10 CJEE C=C1CC(CNC(C)(C)C)(Cc2c(F)cccc2Cl)C1 2159583562 IHQJLQDLADCSGG-UHFFFAOYSA-N 295.829 4.746 30 10 CJEE C=CCCCCC[C@H](CCC1CC(OC)C1)NCCC 2160950001 UNZMORRDGFMLBP-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE CCN[C@H](CCCCCC1CC1)c1cccc(C#N)c1 2164184542 UZUAVFUBMQMOKQ-GOSISDBHSA-N 270.420 4.569 30 10 CJEE CCCC[C@@](C)(C#N)[C@](O)(CC(C)C)c1ccccc1 2164475644 QGSADIQOQKOZBT-ROUUACIJSA-N 273.420 4.640 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccccc1C1CC1 2164476638 AYWCVFQZVJXETL-QZTJIDSGSA-N 271.404 4.708 30 10 CJEE CCCCCCCCCC[C@H](NC)c1nc(CC)ns1 2164491170 FMZOSVDIZBTOFQ-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H]2CC23CCC(F)(F)CC3)C1 2165687318 HPDWODBLBGVLSY-RBSFLKMASA-N 284.390 4.988 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CC2(CCC2)CO1 2166463964 QJKPINTTWBFIIY-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@@]1(C#N)CCC12CCC2 2166798552 SHABGHFOTQWBPF-MSOLQXFVSA-N 275.436 4.572 30 10 CJEE COc1ccc(C)cc1C[C@]1(C#N)CCCC(C)(C)C1 2168555674 KLSGMODPXHLLMO-GOSISDBHSA-N 271.404 4.656 30 10 CJEE CCCCCCCCCCC1(O)[C@H]2CCC[C@H]1COC2 2169156400 ALLFVJVIXIUTQH-IRXDYDNUSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC(C)(C)C[C@H]1C 2170901188 GTTDGGUELBXBPP-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE C=CCCC[C@H](CC(F)(F)c1ccccc1)NCCC 2173112287 SXGRPBHAPNHDTF-MRXNPFEDSA-N 281.390 4.893 30 10 CJEE C#CCCCC[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC 2173466499 NWAWTVBSSQAXAO-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE CCCCCCCCCCCC[C@]1(N)C=C[C@@H](OC)C1 2176028100 KASQIROMUHOBCU-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE CC1(C)CCC(C)(CN=C2N[C@@H](C(C)(C)C)CS2)CC1 2176596477 FAAOULPATZLQKP-CYBMUJFWSA-N 296.524 4.700 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)N(c2cc(Cl)c(C#N)cc2F)C1 2177390254 KCGDHOFMEZRRST-VXGBXAGGSA-N 294.801 4.612 30 10 CJEE CCCCCCCCC[C@H](O)CC1C[C@@H]2CC[C@H](C1)O2 2181279664 LCWWXDNAUQQGGX-XFYFCPPXSA-N 282.468 4.836 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2181312203 XZTAKGBRDGAAFS-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)COc2ccc(Cl)cc2)CC1 2181646281 XPZURRIBCXZBKY-ZDUSSCGKSA-N 292.806 4.670 30 10 CJEE CCCCCC[C@@H](O)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2181668370 KQILTVDXZVHPNN-JKSUJKDBSA-N 280.452 4.659 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2CCC[C@H]2C(F)(F)F)C1 2182173913 YGADZUIWWPMFLR-ZNMIVQPWSA-N 289.385 4.690 30 10 CJEE CCCCCS[C@H]1CC(C)(C)C[C@@](C#N)(NCCC)C1 2183511939 CYMTWRXIQOUKQN-RDJZCZTQSA-N 296.524 4.750 30 10 CJEE CCCCCCC[C@H](C[C@@H]1OCc2ccccc21)NC 2183677687 LVQOFWPXLMTDCK-AEFFLSMTSA-N 275.436 4.597 30 10 CJEE C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(C#N)cc1Cl 2185456425 XHVDUWWWZKLHRP-APPDUMDISA-N 282.774 4.557 30 10 CJEE CC[C@H](CCC(C)C)N=C1NC2(CCC(C)CC2)CS1 2186038432 BNTWTQYEAJFTTP-ISXOHVOVSA-N 296.524 4.843 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)[C@@H]2CCC2(C)C)CC1 2188544246 YOWAARDJSZQIHW-CQDXFGNVSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(C(F)(F)F)on1 2192916774 RMBLIRBIXQZEMS-LLVKDONJSA-N 292.345 4.834 30 10 CJEE CCC(=CC(=O)c1cccc(OCC(F)(F)F)c1)CC 2194232356 JBOPRKKEATYVCY-UHFFFAOYSA-N 286.293 4.557 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CCCCC1(F)F 2196170078 RRQNJWXBPFTYKX-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE C#CC[C@@H](CSc1cc(C)c2ccccc2n1)C1CC1 2196732097 NQDBFPFUSVPOGO-HNNXBMFYSA-N 281.424 4.685 30 10 CJEE CCCCCCCCN(C)[C@@]1(CN)CCCCC[C@@H]1C 2196740363 CFVAKSSKFALJFK-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)[C@]1(C)CC=CCC1)C1CC1 2196853762 JYGREMHAFQYVTM-GUDVDZBRSA-N 273.464 4.541 30 10 CJEE C#CC[C@@H](C[C@@H](N)C1CC(C)(C)CC(C)(C)C1)C1CC1 2196854421 NTZYPFPTFYQCSL-DOTOQJQBSA-N 275.480 4.606 30 10 CJEE C#CC[C@H](C[C@H](NC)[C@@H]1CCC[C@H](CC)CC1)C1CC1 2196855007 QIVJCDRYEWXTCT-AITUJVMLSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H]1CCC[C@@H](C)C1)C1CC1 2196855611 DKVPIUDKCAEYDM-YSHGAJCASA-N 275.480 4.621 30 10 CJEE CCCCN(CC1(C=O)CCCC1)C1CCCCCC1 2197176622 MUNDRQZMTQTBQN-UHFFFAOYSA-N 279.468 4.571 30 10 CJEE CCCC#CC[C@H](NCC)c1ccccc1C(C)(C)C 2203787504 NQEKSLNDPSXATH-SFHVURJKSA-N 271.448 4.828 30 10 CJEE CCCCC#CC[C@H](C[C@@H]1C[C@@H]1C(F)(F)F)NCCC 2203788550 ZTIVPZNTYZFWGQ-KFWWJZLASA-N 289.385 4.527 30 10 CJEE C#C[C@@H](NC1CC2(CCC(C)(C)CC2)C1)C1CCCC1 2204033585 NWQFYACGNDSBTE-QGZVFWFLSA-N 273.464 4.517 30 10 CJEE C=CCCC[C@@H](C)N=c1[nH]nc(C2CCCCCC2)s1 2204961621 SGOHYDXGVVYDDV-CYBMUJFWSA-N 293.480 4.555 30 10 CJEE C=CCCCCCC[C@H](N)C1(OCC)CCCCCC1 2206894089 HCCYLHYEASMQPP-KRWDZBQOSA-N 281.484 4.970 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@]1(C)CCCCO1 2206895533 VIHQBMCUVOUXFD-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1cc(C)nc(C)c1 2206903211 QEMBSCUAVLSSML-GOSISDBHSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCCCN(C)C[C@@H]1CCCOC1 2207382177 PDWVOQQHKBMLQD-SFHVURJKSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](O)c1ccsc1 2207397561 UOVRXFMZPFPXBS-DLBZAZTESA-N 295.492 4.676 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1NC 2207405542 YAHWSRNLVCKDAF-UWVAXJGDSA-N 299.439 4.894 30 10 CJEE C=CCCCCCCCC[C@H](NCCC)[C@@](C)(O)CC 2207408785 KRYRUOOGEAQQFA-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(OC)CCSC1 2207410891 BEGYZTWLLVTQIV-KRWDZBQOSA-N 298.492 4.775 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@]2(C)CCO[C@@H]12 2207427492 NERRRIXFUSXAFF-SQNIBIBYSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@]1(OC)CCSC1 2207434665 DSOPZVJUPXVOHG-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](OCC)C1CC1 2207435426 HMCPFYKQUPLMFQ-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](C)C1 2207437616 OXGSYAGPMPGXEG-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCCO[C@@]1(CN)CCC[C@@H]1C 2207446089 DNTFDLSWDKZWHI-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC=C1CC(N)(CSC)C1 2216800821 LFDRZYAVSVXXOQ-UHFFFAOYSA-N 255.471 4.518 30 10 CJEE CN[C@@H](C#CC(C)(C)C)c1cc2sc(C)cc2s1 2218429347 WZYLDTDCMKKMEF-NSHDSACASA-N 277.458 4.581 30 10 CJEE C=CCCCCCCC[C@@H](CC(F)F)NCCC 2220092262 JXSICYUOSDSFQK-AWEZNQCLSA-N 261.400 4.927 30 10 CJEE CCCCCCCC[C@](C)(N)CC1(CCF)CC1 2223829020 WLDAMWSYXCJIRC-HNNXBMFYSA-N 257.437 4.984 30 10 CJEE C=C1CCC(C[C@@H](N)C2C[C@H]3CCC[C@H](C2)C3)CC1 2225309365 UXKCGPNOZQTSEH-XYJFISCASA-N 261.453 4.667 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@H]1CC[C@H](CC)CC1 2225440069 ROZLOCVHHXLWOJ-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C[C@H]1C[C@](C=O)(CCCCCCC2CC2)C[C@@H](C)O1 2225791004 ZWAPNWQAWADSIX-QLPKVWCKSA-N 266.425 4.510 30 10 CJEE C=CCCCCCCCOc1cccc(F)c1C#N 2227274209 SYIFOMNTRZKVAU-UHFFFAOYSA-N 261.340 4.603 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@](C)(F)C(F)(F)F 2227274603 KSHPPKWIFUGJED-OLZOCXBDSA-N 283.353 4.782 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 2227278523 ABKZQPHTZROBEE-OWSLCNJRSA-N 263.469 4.737 30 10 CJEE C=CCCCCCCCN(C)[C@@H](C)[C@@]1(C)CC1(F)F 2227281102 QDOFIGCQTVNLKQ-LSDHHAIUSA-N 273.411 4.879 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)CCCOCC 2227444825 CQMNVOWZMJRKEL-LJQANCHMSA-N 291.501 4.600 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(Cl)cc1N 2228664140 SKADFZTVSCVKRZ-WFASDCNBSA-N 278.827 4.777 30 10 CJEE CCCCCCCOCCCCCCN[C@@H](C)CC 2230190558 FLNQLXCIWXTECP-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CC1(C[C@@]2(C=O)CCC2(C)C)CC2(CC(F)(F)C2)C1 2230583132 QJGRRBLKSHLLTR-OAHLLOKOSA-N 270.363 4.597 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc([N+](=O)[O-])c(Cl)c1 2231039911 KTVNMIIUKXKACJ-LLVKDONJSA-N 283.755 4.762 30 10 CJEE CCCCCCCCCCCO[C@H](C)CCNCC 2231076332 MMBBRNCTHCRUAE-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCOC1(CN)CCCC1 2231076993 UZVLXIJAZHPHMB-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1coc2ccccc12 2232347361 FAHDEOBQGFRPFZ-GUYCJALGSA-N 253.345 4.695 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCC[C@@H](NC)[C@H]1C 2234040354 FPXQRVXXHFHDMT-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccnc(C(C)(F)F)c2)C1 2234914384 HYWBVYZQNYEBON-INIZCTEOSA-N 278.346 4.555 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCC12CCOCC2 2235514056 PXAPRCRZQMKKLI-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@H](O)CCCC 2235526603 MXYKSYCKMHTJMU-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCN(CC)CCCN(CC)CC 2235534121 FFWWRCGMZQQADT-UHFFFAOYSA-N 282.516 4.567 30 10 CJEE C=CCCCCCCCN(C)Cc1ncc(C)cc1C 2235542845 WYPSUDSMEMJLGO-UHFFFAOYSA-N 274.452 4.657 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1C[C@H](CN)C1 2237825850 SRNRJUIPUGJUPI-QAQDUYKDSA-N 281.484 4.851 30 10 CJEE CCCCCCC[C@](C)(OCCCCC(F)F)C(=O)O 2238429865 RJJQBVGQIGKBBR-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)C1(C)CC2(CC(F)(F)C2)C1 2238795101 RZQJUIHINDJXQA-UONOGXRCSA-N 285.422 4.782 30 10 CJEE CCCCCCCCCCO[C@H]1CCN[C@@H](C(F)F)C1 2239509794 HYIFGWOQWXXLDO-LSDHHAIUSA-N 291.426 4.529 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCCCC[C@H]1NCC 2239510327 MBOCLGQNRYZIRY-KURKYZTESA-N 281.484 4.839 30 10 CJEE CCCCC#CC[C@H](NCC)c1ccc(C)c(F)c1F 2239609240 PGULJCXJZXKTRV-HNNXBMFYSA-N 279.374 4.508 30 10 CJEE CCCC[C@](C)(C#N)[C@@H](O)c1ccc(C2CCC2)cc1 2240387075 PPMSAOGGZZVRGA-ZWKOTPCHSA-N 271.404 4.708 30 10 CJEE C=C(CC)C[C@@H](N)c1sc(Cl)cc1Br 2242111348 YNSLLSLVVGPPDC-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1cc(Cl)c(Cl)cc1C 2249728942 CALHYEWEXAQJLK-OTYXRUKQSA-N 273.203 4.938 30 10 CJEE C=C(C)CCCCC[C@@H](N)c1cccc(Cl)c1 2250180605 CLVQYXDMQZUJOF-OAHLLOKOSA-N 251.801 4.866 30 10 CJEE CCCC[C@H](CC)N(C)CCCCCCCS 2252648442 BHKFBYHQAKJLSD-HNNXBMFYSA-N 259.503 4.767 30 10 CJEE CCC(F)(F)CCSCc1ccc(C#N)cc1Cl 2256420085 GESVZSOVXYPMNH-UHFFFAOYSA-N 289.778 4.880 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1CC(CC(C)(C)C)C1 2261204741 XEVPVDQUFYGAGA-LBDPXKHJSA-N 251.458 4.639 30 10 CJEE N#Cc1cc(Cl)ccc1NCC[C@@H]1CCCC12CC2 2266644970 ODLNANOPBVPDMM-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc(OC)c1Cl 2268080349 XTGBMNBJEAEIGA-CQSZACIVSA-N 281.827 4.746 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CC1CC2(CCC2)C1 2268766849 PXVWHZTUESFFGA-UHFFFAOYSA-N 258.405 4.522 30 10 CJEE N#CC1(C[C@H]2CCC[C@H]2C(F)F)CCC2(CC1)CC2 2270135438 ZCRHYAWYAIZNAK-CHWSQXEVSA-N 267.363 4.922 30 10 CJEE CC(C)(CCC#N)CNc1cccc(C(C)(C)C)c1 2270253951 PQHFQCVGWZGWNQ-UHFFFAOYSA-N 258.409 4.726 30 10 CJEE C=C(C)CCCCNc1cccc(OC(F)(F)F)c1 2271791270 LCZRYVLDDJGIKA-UHFFFAOYSA-N 273.298 4.744 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccccc1Cl 2274002426 RXYLSUYRXGFQRI-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE Cc1ccc(CC2(C#N)CCCCCC2)c(F)c1F 2274084985 MMHKVGSKSIDBOP-UHFFFAOYSA-N 263.331 4.680 30 10 CJEE CCCCCCCC[C@@](C)(OCCC(=O)O)C(C)C 2274790163 DOYKSJNFHQCPQH-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE C=CC(C)(C)CCNCc1sc(C(F)(F)F)cc1C 2277702114 AJQNXSISSPTXGZ-UHFFFAOYSA-N 291.382 4.767 30 10 CJEE N#CCc1ccc(NCC[C@@H]2CCCCC23CC3)cc1 2279751185 PRSGVFCERWHLLC-INIZCTEOSA-N 268.404 4.525 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CC(C)(C)CCO1 2280234119 FOMKYNCKHDYLLP-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE CCC[C@H]1CC[C@H](CNc2c(F)cccc2C#N)CC1 2280449257 QCHZWCXLSRUKSW-HDJSIYSDSA-N 274.383 4.716 30 10 CJEE C[C@@H]1CC[C@@]2(CSC(=NC(C(C)(C)C)C(C)(C)C)N2)C1 2281569365 FNWBHRFJVZHFNR-PXAZEXFGSA-N 296.524 4.698 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2284104664 DPIGNQHXHUFDOM-ZOBUZTSGSA-N 272.432 4.624 30 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4.893 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@H](CS)C(C)(C)C)C1 2243691304 FPKAFTJKSOUYDO-UPJWGTAASA-N 260.512 4.748 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(Cl)s1 2244621504 IMRVHSFLZAPHFQ-CYBMUJFWSA-N 257.830 4.712 30 10 CJEE Cc1ccc(SCCCCCCCS)cc1 2245902411 YJHFRBJZSKAXEI-UHFFFAOYSA-N 254.464 4.967 30 10 CJEE CC1(CSCCCCCS)CC(C(F)(F)F)C1 2250110664 GJDPVLPUULSXRK-UHFFFAOYSA-N 286.428 4.798 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccccc1Cl 2250151019 IZMLWKCTAGWAMM-HNNXBMFYSA-N 251.801 4.650 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NC[C@H](C#N)C1CCC1 2255369656 XTZIBIHOKJYDSK-NSHDSACASA-N 283.202 4.654 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCC[C@H](C)C1 2259078265 WMIJGNMFMUHPJQ-SQWLQELKSA-N 251.414 4.548 30 10 CJEE C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCCCCCS 2263205919 MVUQSYZBRKGAGV-OAGGEKHMSA-N 269.498 4.520 30 10 CJEE C=CCCCCCC[C@@H](Cc1cnsc1)NCCC 2265471660 UQJHOPNABVQBQJ-INIZCTEOSA-N 280.481 4.580 30 10 CJEE CC[C@@H]1NC(=NCC(C)(C(C)C)C(C)C)S[C@H]1CC 2268553888 HSSUYIKELJGMPM-KBPBESRZSA-N 284.513 4.554 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@@H]1CCCC(C)(C)C1 2268750652 NUBAPVUFHKEBEC-CVEARBPZSA-N 262.437 4.560 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOc1cc(Cl)c(F)cc1C#N 2268801009 PKMOVLPWATYVTB-MNOVXSKESA-N 281.758 4.556 30 10 CJEE C[C@@H]1CC[C@@](C#N)(CCCCCCCCCCO)C1 2271232884 WHZLRZDVZGRDOB-SJORKVTESA-N 265.441 4.820 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC2(CC2)[C@H]1NC 2271597746 ZILMUUMVBABNBC-CVEARBPZSA-N 281.509 4.777 30 10 CJEE CC1(C)CCC[C@H]([C@H](N)C#CC2CCCCC2)CC1 2273981525 CKUBUUDYNAWUDL-DLBZAZTESA-N 261.453 4.504 30 10 CJEE CC(C)(C(=O)C#CC1CCCCC1)C1CCCCC1 2274048729 LQHPOLRNAFGBMI-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE C=C1CCC(C[C@H](O)C2CC(CC(C)(C)C)C2)CC1 2274195653 BUNWNPABDKQVIO-JCYILVPMSA-N 264.453 4.946 30 10 CJEE C=CCC[C@H](C)[C@](C)(CCCCCC)OCCCN 2276916547 PJYYBBDKXIELJL-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@]1(C)CCC[C@@H](C(=O)O)O1 2278127440 NUJJYSTWZUWWIW-GOEBONIOSA-N 270.413 4.540 30 10 CJEE CCCCCCCCC[C@@]1(C)CC[C@@](C)(C(=O)O)O1 2278128311 XFRMGPKOZGWATI-HOTGVXAUSA-N 270.413 4.540 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccccc2OC(F)F)C1 2282927234 NCYKWCBRUFMTEK-BLLLJJGKSA-N 279.330 4.551 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](O)c1sccc1CC 2283082819 DHGARIJDBVCXSA-HZPDHXFCSA-N 297.508 4.683 30 10 CJEE CC(C)(C)Oc1cccc(Oc2cccc(C#N)c2)c1 2285761301 DRSTWENORNLSTF-UHFFFAOYSA-N 267.328 4.528 30 10 CJEE CCc1ccc(C#N)c(SC[C@H](CC(C)(C)C)OC)c1 2287326813 OHZKRQXVFMXFDX-HNNXBMFYSA-N 291.460 4.664 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(OC)CCCCCC1 2287416157 XSIFAWRYFUGYHX-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCO[C@@H](C)CNC1CCC1 2288084911 ZNBFKARMKWETKE-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CN[C@H](C#CC1CCCCC1)C1CCC(C(C)C)CC1 2289705636 QGUCCZUZYLKPDF-CTWPCTMYSA-N 275.480 4.621 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCC(=O)O)C1CCCC1 2291752462 IJHYPEGFKFSALV-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCC#CC[C@](C)(CCC(C)(C)C)OCCCN 2292570889 BLVOGQRRJWNHNN-GOSISDBHSA-N 281.484 4.521 30 10 CJEE C=C(C)CC[C@](CC)(CC1CCCCC1)OCCCN 2292894707 QJRVRMZXSUBRHJ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)[C@H]1CCC[C@@H](C)C1 2293574890 WPFKXQLJHJPFHO-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCCCN)C1CC1 2294022113 WMWJTKZUGYWMRX-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@@H](CCC)CC1 2294661239 CJTHENULVFJDFZ-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)[C@@H](C)CC(C)C 2295216310 GXOQHLXHOBRPAK-YJBOKZPZSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CC(C)C)NCC 2295677806 DXPWEYCPCPXRHE-MSOLQXFVSA-N 285.516 4.902 30 10 CJEE COc1cc2ccccc2cc1C(=O)C=Cc1ccccc1 2297322799 BIHPQRVQTPXDRA-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=CC[C@H](C)Sc1csc(CN[C@H](C)CC)c1 2298931135 WEHLMSFXRWUMRN-NEPJUHHUSA-N 269.479 4.693 30 10 CJEE CCC[C@H](CS)COCCCC1=CCCCC1 2302283402 VLLAFABRPCTXBK-HNNXBMFYSA-N 256.455 4.630 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccccc1Br 2304041997 SBMJGOSGGYKFJO-CQSZACIVSA-N 296.252 4.702 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1scc(C)c1C 2304046126 MWTZQARCEWFHCM-CABCVRRESA-N 251.439 4.618 30 10 CJEE C[C@H](CCSCC1(CS)CC(C)(C)C1)C(F)F 2304520946 QDARFAQEGLXLAI-SNVBAGLBSA-N 282.465 4.747 30 10 CJEE C=CCCSC[C@H](N)c1ccc(Cl)c(C)c1Cl 2307642343 QGORAKKXYYORMF-LBPRGKRZSA-N 290.259 4.611 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](CC)NCC)cc1 2313689498 PSKFFQSABBFIQW-CZUORRHYSA-N 263.450 4.804 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1O 2316750124 QPLPFQOOFADZSJ-IMJJTQAJSA-N 250.426 4.578 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)c(C)c1 2321097348 ACIGHNTWGIOIJE-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C(=C)C(C)(C)C 2321102009 NJCNCOLTPCVUBK-WBVHZDCISA-N 251.458 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(F)ccc(C)c1Cl 2321232443 LBWRMOMITMTCKQ-GJZGRUSLSA-N 270.775 4.813 30 10 CJEE CCCC[C@@](C=O)(CC)CCC1(C(F)(F)F)CC1 2321552747 OKVFTCZQQMNPTI-LBPRGKRZSA-N 264.331 4.895 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2323125353 ZQZPRXVMIMERFY-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE CSCCC1CC(OC[C@](C)(CS)C(C)(C)C)C1 2327114830 FWANUMQCZNUKER-SSDMNJCBSA-N 290.538 4.517 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2333961302 CGCUTSISNCNLBB-LXTVHRRPSA-N 273.411 4.759 30 10 CJEE CCCCCCCCN[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2334222625 XIDVBUPYYMSAOH-WKULXVSPSA-N 263.469 4.761 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334304807 HWNMURZTBAXKTE-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2334334689 PFWZMKYVGWVZCI-KYHPRHEASA-N 262.437 4.988 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCC2)CC[C@H]1NCC 2335096715 PWHYNPUYGLYXRY-ARFHVFGLSA-N 281.509 4.775 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](c1ccccc1)C(C)C 2337114113 NJHFVGLMQPRTIH-KBAYOESNSA-N 257.421 4.718 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC 2338663944 BFCHMTRZBDQCJM-JQHSSLGASA-N 263.469 4.807 30 10 CJEE Cc1c(C[C@]2(C=O)CCCC23CC3)ccc(Cl)c1Cl 2338679918 ORXPKEDCFCSYSK-INIZCTEOSA-N 297.225 4.994 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCS[C@H](C)C1 2338729264 DRDIWZKKQPUUAT-PVAVHDDUSA-N 281.509 4.655 30 10 CJEE C=CCCSc1ccc(C[C@@H](N)CC)c(C2CC2)c1 2339164899 DQDNDZUIIMWXKW-HNNXBMFYSA-N 275.461 4.512 30 10 CJEE CC(C)[C@@H](O)C(C)(C)CC1(C#N)CCCCCCC1 2340371880 BBBHZHQCLXZZOG-OAHLLOKOSA-N 265.441 4.674 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@@H]1CCCCC12CC2)NCC 2344342063 HAUMGOHWZRGBDC-YESZJQIVSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCC2(CCCC2)C1 2344348928 OTESVZBGXNOHJP-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H]1CCCC12CC2)NCC 2344358480 VJRPCYXFIZBJHN-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1coc(C(F)(F)F)c1 2344384357 WGOWLJXQCWJSTB-MFKMUULPSA-N 275.314 4.551 30 10 CJEE C=CC[C@@H](C)Sc1c(CNCC(C)C)ccc(F)c1F 2360375554 PDGFZEKZCQLRKS-GFCCVEGCSA-N 299.430 4.767 30 10 CJEE CSc1ccc(/C=N/c2sc3c(c2C#N)CCC3)cc1 5515323 KVZHWBCFLSYVJN-VCHYOVAHSA-N 298.436 4.581 30 10 CJEE N#CC1(c2c(Cl)cccc2Cl)CCCCC1 20429383 KFOIWFPKOOBQGJ-UHFFFAOYSA-N 254.160 4.719 30 10 CJEE CCCCCC[C@H](C)OCCCC[C@](C)(C#N)NCCC 45323934 WYUCZLKQXJNACQ-ZWKOTPCHSA-N 296.499 4.814 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(OC)ccc1OC 59089807 XAZPFTBZPCBVKK-CQSZACIVSA-N 279.424 4.865 30 10 CJEE Cc1cccc(Oc2cccc(Cl)c2C#N)c1C 70139515 JMWICUOQJYEACW-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE O=C1C=COC2(CCCCCCCCCCC2)C1 70341236 HUPAOICFDCSWFS-UHFFFAOYSA-N 250.382 4.533 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 71132235 MCKYFKNPGMFPAX-AAEUAGOBSA-N 263.768 4.559 30 10 CJEE C=CCCC[C@H](NCCC)C(C)(C)c1ccccc1 71277308 HZWUXDZICVAVKR-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CCOc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(C)cc1 83193810 YFCGDOAVPAIKBO-ZHACJKMWSA-N 294.394 4.907 30 10 CJEE CC[C@@H]1CCCC[C@@]1(O)C1(C#N)CCC(C(C)C)CC1 91886103 XFXUKUBGWYWYKT-FPQWYMTMSA-N 277.452 4.674 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC[C@H](C)[C@@H](C)C2)CC1 91887065 DZNHGZPRMQOMLY-QOCJCZBQSA-N 277.452 4.530 30 10 CJEE CCCCCCCCSc1ccc(C(=O)O)cc1 104622630 QBUSSBKXRWAUFB-UHFFFAOYSA-N 266.406 4.837 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1NCC 110081315 OQYYCGVQRQFJRX-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C[C@H]1CCCC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1C#N 110256556 GGYZFTONDKDCHJ-FZMZJTMJSA-N 296.336 4.592 30 10 CJEE CCCCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NCC 112847222 GKJTVUHXJZFPBT-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1C(C)C 114349217 WDUXCSYTLDHXDH-IPMKNSEASA-N 296.543 4.691 30 10 CJEE CCCCCCCCn1ccc2c(C[C@@H](C)N)cccc21 114675884 BODHOTNFBRAIHA-MRXNPFEDSA-N 286.463 4.892 30 10 CJEE CCCCCCCN1CCC[C@@H](NCC)c2ccccc21 123011968 KRYMKJKPICRPAG-GOSISDBHSA-N 288.479 4.908 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cccc(OC)c1F 123801617 YFBMGZJJYBGEIN-MRXNPFEDSA-N 295.442 4.845 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](C)[C@@H](C)N 126599999 SDRPPYPQOGLIOD-JKSUJKDBSA-N 269.473 4.850 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc(C(F)F)c1 131939681 AZHIAIZCUYAOOK-AWEZNQCLSA-N 292.716 4.954 30 10 CJEE CCCCCCCCC(=O)[C@@H]1OCCc2ccccc21 135446417 PCDGEBRWGYMCKS-GOSISDBHSA-N 274.404 4.620 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCSC1 135627941 PJGRZNLWRGNJMT-AWEZNQCLSA-N 256.455 4.839 30 10 CJEE N#CC1(CCc2ccccc2[N+](=O)[O-])CCCCCCC1 156747316 DVGPBUANPPGFMO-UHFFFAOYSA-N 286.375 4.782 30 10 CJEE CC[C@@H](C)Oc1cccc(Nc2ccc(C#N)c(F)c2)c1 160502364 QHSPNWFJNCSJPM-GFCCVEGCSA-N 284.334 4.618 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCO[C@@H]1C1CC1 166101642 CQXQVKQFPYZYFL-QZTJIDSGSA-N 281.484 4.661 30 10 CJEE C#Cc1cc(CCCCCC)c(Br)s1 216214005 JXGNDXHEISQZKC-UHFFFAOYSA-N 271.223 4.615 30 10 CJEE C=CCOc1ccc(CN[C@@H](CCC)CCCC)cc1 225988213 NYNBOBQKDDGKSU-KRWDZBQOSA-N 275.436 4.700 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](OC)C(C)C 227407426 IAXQMTQCWMXWHX-INIZCTEOSA-N 256.430 4.757 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 229740761 DSIMVCRAIUKKJR-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc2c(s1)CCCC2 229756670 MCWLPPGTZNHIIM-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE C#C[C@@H](CCC)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 229925309 YCFPRRROONHFSH-WFASDCNBSA-N 284.230 4.836 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC[C@H](C(C)C)C2)CC1 231020661 ZAFFMQOLGMRBMX-JYSRZZCRSA-N 277.452 4.674 30 10 CJEE C=CCCCCCOc1ccc(CNC(C)(C)C)cc1 232501726 WWAGYQCNVANICA-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(C(F)(F)F)c1 232515253 ZTMAAHUZHAQHTH-UHFFFAOYSA-N 284.325 4.837 30 10 CJEE CC(C)[C@@H](CS)CSCc1ccccc1Cl 232707341 UTPMGKPPYIZXGL-LBPRGKRZSA-N 274.882 4.775 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2)c(C#N)c1 235912953 ZUTYYLHOYVUEJN-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE C=CCCCCC[C@H](O)CCCc1cccs1 236534710 DCVWMDPYULKHGW-AWEZNQCLSA-N 252.423 4.568 30 10 CJEE CC(C)n1cc([C@H](C)C#N)c2ccc(C(F)(F)F)cc21 259924416 DLWHGMHXSWNCSB-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE C[C@@H](C#N)Cc1ccc(OCc2ccccc2)c(Cl)c1 260196444 HKGXIGICJBBUPX-CYBMUJFWSA-N 285.774 4.621 30 10 CJEE C[C@@H]1CC=C(C(=O)CCc2ccc(Cl)cc2)CC1 308521487 OXTVZMZEPHKCRT-GFCCVEGCSA-N 262.780 4.588 30 10 CJEE CCCCCCCC[C@H]1CCN[C@H](C(F)(F)F)C1 310713011 MCHSVZRRNTYGMR-STQMWFEESA-N 265.363 4.668 30 10 CJEE C=CCSC[C@H](NCCC)c1ccc(CC(C)C)cc1 312360684 OGCYMVYZNCBPGY-SFHVURJKSA-N 291.504 4.845 30 10 CJEE 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CJEE Cc1cc(OCc2ccc(C#N)c(F)c2)cc(C)c1Cl 404057761 HAFIMJGMIJKBQD-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCCCCCN1CCC[C@H](C)[C@@H]1CCN 404256687 AYWNYOKGUUDURJ-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC(=O)[C@H](CCC)NC(=O)OC(C)(C)C 405695500 DNDINLKXEZICSO-AWEZNQCLSA-N 299.455 4.609 30 10 CJEE C[C@H](CCC1CCCCC1)NCC1CCC(C#N)CC1 442876841 YJTKGCOXQKRKCD-FAEJEUNOSA-N 276.468 4.655 30 10 CJEE N#CCc1cc(F)ccc1-c1cccc(Cl)c1Cl 514262954 FPJWCMOAFYDREB-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@H](C)O[C@@H]1C 686455634 ZSWPKRDOBVKOHM-LZLYRXPVSA-N 281.484 4.673 30 10 CJEE CCCCCCC[C@H](NCC)c1ccnn1CC(C)C 687056219 LRQHLSNSYTVUPI-INIZCTEOSA-N 279.472 4.550 30 10 CJEE Cc1ccc(N=C2NC3(CCCCC3)CCS2)cc1F 687323177 BSHNHFMADSGGJE-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(C(C)(C)C)c1 691665720 LFAXRLBEQBKCJL-KRWDZBQOSA-N 276.468 4.849 30 10 CJEE CCCCCCCCCC[C@]1(F)CCN[C@@H](C)C1 691695531 FEXYDYAJLXSJSU-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE 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1435039346 FCAPGCWYCXUFTP-QRQLOZEOSA-N 299.458 4.506 30 10 CJEE C=CCCCCCCNC(=O)/C=C/Sc1ccccc1 1436190082 LGEIJRREEJKOMA-FYWRMAATSA-N 289.444 4.545 30 10 CJEE C#CCN(CC1CCCCCC1)[C@@H]1CCc2ccccc21 1459348153 WQNBGMOUVNXINM-HXUWFJFHSA-N 281.443 4.580 30 10 CJEE C#CCCCCCCN1CC[C@@H](C(C)(C)C)C[C@@H]1C 1473519185 JJUSGNKPYUGVGK-DLBZAZTESA-N 263.469 4.717 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@H]1CC[C@H](C)C1)c1ccccc1 1520288689 XOWWLSSCZSPIJW-LNLFQRSKSA-N 299.458 4.679 30 10 CJEE C=CC1(CC(=O)N[C@@H](CC)Cc2ccccc2)CCCCC1 1529678316 OHWOLQBZNAPUFX-SFHVURJKSA-N 299.458 4.651 30 10 CJEE C=CCCC(C)(C)CNC(=O)CC1CC(c2ccccc2)C1 1534588737 PVXFNAUKYIIYLQ-UHFFFAOYSA-N 299.458 4.679 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](c1ccccc1)C(F)F 1561058937 INIHUNOUFDPXKJ-UKRRQHHQSA-N 267.363 4.717 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](CC)CCCC 1563431821 XNMGIIRMOHOVBI-BRWVUGGUSA-N 294.483 4.637 30 10 CJEE C=CCCC[C@H](C(=O)NCC[C@@H](C)CC)c1ccccc1 1586929218 QBSNLEBIDPCXBB-WMZOPIPTSA-N 287.447 4.679 30 10 CJEE 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273.464 4.993 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(F)c3ccccc23)C1 1660234871 VAHUEVKRORHGAB-HNNXBMFYSA-N 283.390 4.767 30 10 CJEE CCCCCCCCN(C)[C@H]1CCc2ccccc2C1 1660616054 JVPVCEOQCRTKHS-IBGZPJMESA-N 273.464 4.836 30 10 CJEE N#CC1(CNCc2cccc(Cl)c2Cl)CCCCC1 1662888249 GNYZYWCQWJFJET-UHFFFAOYSA-N 297.229 4.557 30 10 CJEE C=C(C)c1cccc(NCc2ccc(F)c(F)c2)c1 1663414387 RVNAZORBDDZPOV-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](CC)CC(F)(F)F 1664170654 AUJPWAVRKFOAHT-CHWSQXEVSA-N 265.363 4.832 30 10 CJEE C=CCC[C@H](CC)Nc1cc(-c2ccnn2C)ccc1C 1664474497 BITLFABLHLROHN-INIZCTEOSA-N 283.419 4.552 30 10 CJEE CC#CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 1879644101 MKFWQXHSMMHBPF-KURKYZTESA-N 263.469 4.622 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 1882666766 SUPDFOUFFJLNPX-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE C=C1CCC(C[C@]2(O)CCCCCCC2(F)F)CC1 1886406199 XGPSJEVDXQEMAT-OAHLLOKOSA-N 272.379 4.844 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1cscc1C(F)F 1887451932 IJGNMXHGZUFPRV-FZMZJTMJSA-N 285.403 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MIZZZCMUGYKAFS-IXDOHACOSA-N 269.473 4.802 30 10 CJEE CCCCCCCCC(=O)C1(CCN)CCCCC1 2106944303 LPOOJUDISLAAOF-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2[nH]ccc2c1 2107842390 HAPSCYZZLQJWET-MRXNPFEDSA-N 258.409 4.789 30 10 CJEE CCCCCCCCCC[C@H](CC#CC1CC1)NC 2108228163 NPPKTCBAEJDOSP-GOSISDBHSA-N 263.469 4.909 30 10 CJEE N#C[C@]1(CCCOC2CCCCC2)CCC12CCC2 2110488804 FQCVTBKRMXVPJR-KRWDZBQOSA-N 261.409 4.590 30 10 CJEE N#C[C@@]1(C[C@@H]2Cc3ccccc3S2)CCC12CCC2 2110489000 CHQDYDXEUCHRGO-YOEHRIQHSA-N 269.413 4.568 30 10 CJEE C=CCCCCC[C@H](NC)[C@]1(C)CCCCC1(F)F 2111641178 UVHNLRXJQNFDNH-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CC23CCCCC3)CCC1 2111708097 KBJPPUMMXWIQQA-HOTGVXAUSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1[C@@H]2CCCC(F)(F)[C@H]21 2114411581 YAYWNUXVCJGPQQ-ZQDZILKHSA-N 273.411 4.616 30 10 CJEE C#CCCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 2116833567 OPXXBXDAMINGEE-ZDUSSCGKSA-N 288.334 4.526 30 10 CJEE Cc1cc(C)c([C@H](O)[C@@]2(C#N)CCCCC2(C)C)s1 2117019854 JOJBYQXPCCKQMM-HOCLYGCPSA-N 277.433 4.509 30 10 CJEE C[C@@]1(C(F)F)CCN(CCCCCCCCCS)C1 2117980555 DFLORTTWMZPPOL-OAHLLOKOSA-N 293.467 4.624 30 10 CJEE CCCCCCCCCCOC[C@@H](CN)CC(C)C 2120864299 LSBTYZCJBAJPCZ-QGZVFWFLSA-N 271.489 4.765 30 10 CJEE C#CCCCC[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2122684258 IKDKMMVBXUKHEC-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(Cl)c(F)cc2F)CC1 2122790017 MSXWHZROQFEQHF-HNNXBMFYSA-N 286.749 4.788 30 10 CJEE C=CCCCC[C@H](NCCC)c1ccc(C)c(F)c1 2123087084 YOJXBSGAAAQIFC-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=C1CC([C@H](C[C@]2(C)CCCC2(F)F)NCCC)C1 2125661753 MWNVRHVXKWZIHC-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C=C1CC([C@H](Cc2ccc(C)cc2Cl)NCCC)C1 2125664980 FEZNVRFNHFIDJZ-KRWDZBQOSA-N 277.839 4.525 30 10 CJEE C=CC1(C[C@H]2C[C@@H](NCC)CC3(CCC3)C2)CCC1 2127151426 FXMPRIPGHFLKAO-HZPDHXFCSA-N 261.453 4.681 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC12CCC(CC1)CC2 2128564166 NYJBYXGHPLUWFX-NXYGQSRBSA-N 263.469 4.927 30 10 CJEE CCCC[C@@](C#N)(CC)c1cccc(C(C)(F)F)n1 2129418317 CLIYFZMCUWPGFQ-OAHLLOKOSA-N 266.335 4.555 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@H]1OC)NC 2131653338 UKFFPVNAFCDONQ-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCc1cc([C@@H](C)NCC)on1 2132643829 RCRORGGVZBXPFF-CQSZACIVSA-N 266.429 4.638 30 10 CJEE N#C[C@]1(C[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)CCCCC12CCC2 2134680233 SWKMDSRFHFWNSD-HZFUYJJFSA-N 255.405 4.533 30 10 CJEE CCCCCC#CCN[C@@H](C)C1CCC(C)(C)CC1 2138954899 RIPUUHZBHGZGSK-INIZCTEOSA-N 263.469 4.765 30 10 CJEE CCCCCC#CCNCc1cc2ccccc2s1 2138955005 SSPJEMVTCSEDHM-UHFFFAOYSA-N 271.429 4.575 30 10 CJEE CCCCC#CC[C@@H](CC12CCC(CC1)C2)NCC 2138958162 DYOLOZFGJBWZEZ-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE CCCC#CC[C@H](CSc1cccc(Cl)c1)NCC 2138959492 SHYPLRUSDZHATR-OAHLLOKOSA-N 295.879 4.604 30 10 CJEE CCCC#CC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2138962799 IKEWLAZCKDHVDF-CYBMUJFWSA-N 289.728 4.552 30 10 CJEE CCCCC#CC[C@](N)(CC)C1CCC(C)(C)CC1 2138992283 ZVZRZZWDYIUDHJ-GOSISDBHSA-N 263.469 4.894 30 10 CJEE CCCCC#CC[C@@H]1CCCCC[C@@H]1CNCCC 2138992520 BNVWLHQBASWQGR-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1C[C@@H]1C1CC1)NCC 2141921602 BNDRHDDNUZIPJR-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@H](C)OC)NC 2142432930 CQFPUSUMCGELDA-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CO[C@H](CC)C1 2142440239 QOIBWALECIHFOB-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ccc(N)cc1 2142440256 GETSHGYRCYYNEW-QGZVFWFLSA-N 260.425 4.575 30 10 CJEE Cc1cc(OCC2(C)CCCCC2)c(C)c(C)c1C#N 2143832347 VVTFUNRNNYMTGD-UHFFFAOYSA-N 271.404 4.833 30 10 CJEE CC[C@H]1C[C@@H](C)SC(=NCC2(C3CCCCC3)CC2)N1 2146405427 LVVFUIRIRPONMF-HIFRSBDPSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@H]1CCC[C@H](C)C1 2147995422 XQEZOHLGFKQXFS-XLAORIBOSA-N 283.500 4.512 30 10 CJEE C=CCC[C@](C)(O)[C@@H](C[C@H](C)CC(C)(C)C)NCCC 2148053011 GHLWOURSMLLWQD-JZXOWHBKSA-N 283.500 4.534 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](O)[C@@H](C)C(C)(C)C 2148584185 VPQAGSDIVVRBOZ-IKGGRYGDSA-N 285.516 4.758 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(C2(C)CC2)c1 2149580967 ZQVVOZVEHYTXAW-UHFFFAOYSA-N 262.356 4.662 30 10 CJEE CCCCCCCC[C@@H](NN)C12CCC(CC1)C2(C)C 2150882806 DXOJTPYMCDQZSK-UPTPFMHGSA-N 280.500 4.785 30 10 CJEE CCC[C@H](C)CN(C)c1ccc(C#N)c2ccccc12 2152822257 MZEDMWLEVFZVMQ-AWEZNQCLSA-N 266.388 4.584 30 10 CJEE C=C([C@@H](NC)c1oc2ccc(F)cc2c1C)C(C)(C)C 2152940842 FCEZGQBMUPDWOJ-OAHLLOKOSA-N 275.367 4.743 30 10 CJEE C=C([C@@H](NC)c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C 2152945415 XMHMTYAEGJEZLY-CYBMUJFWSA-N 289.316 4.707 30 10 CJEE Cc1cccc(N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)c1C#N 2154238756 RDJTZFKHRJILLY-IIDMSEBBSA-N 268.404 4.638 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(OC(C)C)cc1 2154636843 MSLSWXNVOYJALN-GOSISDBHSA-N 275.436 4.784 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](N)(CC#CC2CCCCC2)C1 2154708763 NGQKQQOCUHKMOV-OALUTQOASA-N 275.480 4.894 30 10 CJEE CC1(C)CCC[C@@H](CNc2ccc(F)cc2C#N)CC1 2157112634 PQHAGFOYIUIYFB-CYBMUJFWSA-N 274.383 4.716 30 10 CJEE CC[C@@](C#N)(Nc1ccccc1)C1CCC(C)(C)CC1 2158484116 JOEQWMKMKVVKRT-SFHVURJKSA-N 270.420 4.987 30 10 CJEE C=C1CC(CNCC(C)C)(Cc2cccc(Cl)c2F)C1 2159588295 UTLNZOYHRPYXMC-UHFFFAOYSA-N 295.829 4.604 30 10 CJEE CCCCCCCCOc1ncc([C@@H](C)NCCC)s1 2159807697 OPIWUKDOUFNHCR-CQSZACIVSA-N 298.496 4.943 30 10 CJEE CCCCCCCCC[C@H](NC)c1nsc(CCC)n1 2163355222 GVAQDRZOWSNSSB-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCCN[C@@H](c1cccc(C#N)c1)[C@@H](C)CCC(C)C 2164202409 ZURFBMXSUFBDEH-MAUKXSAKSA-N 272.436 4.671 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CC(C)=C[C@H](C)C1 2164211737 HRDBVHLNQGFPRP-RYQLBKOJSA-N 275.480 4.787 30 10 CJEE CCCCCCCCCC[C@@H](N)C1([C@@H]2CCCO2)CC1 2164364657 DHJBRXXLJLLZSK-SJORKVTESA-N 281.484 4.804 30 10 CJEE CN(C[C@H](CS)c1ccccc1)[C@H]1CCCCC1(C)C 2164954838 VZNZMBXWMDECLL-SJORKVTESA-N 291.504 4.601 30 10 CJEE C#CC(C)(C)CC1(CNCC)CC(C)(C)CC(C)(C)C1 2167606046 BTYUCTHZFNKZLB-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)c1ccccc1C(C)(C)C 2167611213 ZGXPRJLUDWBKMO-QGZVFWFLSA-N 271.448 4.684 30 10 CJEE CC[C@@]1(C)CCSC(=NCC2(C)CCCCCCC2)N1 2172661588 JPYKRVLJBJKUSP-KRWDZBQOSA-N 296.524 4.988 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CC12CCC(F)(F)CC2)NCC 2173291351 YKSQCTDMTAZJLB-RRFJBIMHSA-N 285.422 4.782 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1F)C1CCCCCC1 2173589072 VAVDNMZFDKIMQI-NSHDSACASA-N 278.346 4.607 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CC(C3CCC3)C2)CC1 2176774037 GMFGDOFSBLEFJW-ACBHZAAOSA-N 275.480 4.927 30 10 CJEE N#Cc1cc(F)c(NCC2CC(CC3CC3)C2)cc1Cl 2177392936 KMHSXTSYJKXOFW-UHFFFAOYSA-N 292.785 4.589 30 10 CJEE CCCCCCC[C@@](C)(N)CC1Cc2ccccc2C1 2178392221 GYGPPDZAINMBSZ-LJQANCHMSA-N 273.464 4.869 30 10 CJEE CC=CCCC[C@H](NCC)[C@](C)(O)CCCCCCC 2179772559 WKOLEHOFFPJUPT-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE Cc1cnc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)c(C)c1 2181675800 ZROMGPMHJFMRDU-OAHLLOKOSA-N 271.404 4.654 30 10 CJEE C=C1CC(C[C@@H](CSc2ccccc2F)NCCC)C1 2182159095 ZWQGDUKQCQXRLA-HNNXBMFYSA-N 293.451 4.642 30 10 CJEE C=C1CC(C[C@H](N)c2ccc(OCCCCC)cc2)C1 2182172463 UVAVHGAKWJJNRA-SFHVURJKSA-N 273.420 4.612 30 10 CJEE C=CC[C@@](C)(NCc1ccc2sccc2c1)C(F)(F)F 2182192079 PISCTBBCJJRHND-CQSZACIVSA-N 299.361 4.888 30 10 CJEE CCCCCS[C@@H]1CC(C)(C)C[C@@](C#N)(NC2CC2)C1 2183512428 HBCTYMOFAPMGJO-WBVHZDCISA-N 294.508 4.503 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC1C[C@@H]2CC=CC[C@H]2C1 2184453207 BUFSPYFRBPRZRX-QWRGUYRKSA-N 290.769 4.507 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CC[C@@H]1OC 2186929346 KYTAWYGAGDBIBR-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC1(C)CCC(CC#C[Si](C)(C)C)(CNC2CC2)CC1 2187468968 UEOUIDPHUGIYEP-UHFFFAOYSA-N 291.555 4.596 30 10 CJEE CC1(C)CCC[C@](C#N)([C@](C)(O)[C@H]2CCC2(C)C)CC1 2188544277 YUPRFCRINKVPKY-QGTPRVQTSA-N 277.452 4.674 30 10 CJEE C=CC1(CNc2ccc(Cl)cc2C(=O)O)CCCCC1 2189513347 XXBCPWWIGZLTTI-UHFFFAOYSA-N 293.794 4.587 30 10 CJEE N#C[C@@]1(CC2CC3(C2)C(F)(F)C32CCC2)CCCSC1 2195067362 FOBVDQLVTBKYJZ-OWYJLGKBSA-N 297.414 4.629 30 10 CJEE CCCCCCCCCN1CCC(OCC(C)C)CC1 2195535703 RVOAIKAFGPQYGG-UHFFFAOYSA-N 283.500 4.874 30 10 CJEE C=CCN(Cc1ccccc1C(C)(C)C)CC(F)(F)F 2196020800 QBTXDEAVXJVRDH-UHFFFAOYSA-N 285.353 4.534 30 10 CJEE CCCCCCCN(C)c1nc(CCC)nc(Cl)c1C 2196703982 JZPHUOUOBZUDER-UHFFFAOYSA-N 297.874 4.798 30 10 CJEE CCCCCCCCN(C)c1ccc(CNC)c(C)c1 2196733029 CDMBHUDRHMNREZ-UHFFFAOYSA-N 276.468 4.511 30 10 CJEE CCCCCCCCN(C)[C@](C)(CC)[C@H](C)NCCC 2196739144 OYPKCIFQDHTLIU-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CCC#CC[C@H](NCCC)[C@H]1C[C@@H]1C1CCCCCC1 2200036668 XJGPZWLIGBVSNV-QYZOEREBSA-N 275.480 4.765 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(C(C)C)ccc2N)CC1 2201536239 YTJYFVCZRNAKSN-ZDUSSCGKSA-N 271.404 4.711 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@]12CO[C@](C)(C1)C2 2202746691 NDRNZDWTPUDJGK-KURKYZTESA-N 281.484 4.804 30 10 CJEE CCCCCC#CC[C@@H]1CCCc2ccccc2[C@@H]1O 2203786888 HWDFFKLBRROCPT-IEBWSBKVSA-N 270.416 4.646 30 10 CJEE C#C[C@@H](N[C@@H](c1ccccc1)C(C)C)C1CCCCC1 2203800814 NOHFWVFIJUJXJE-RTBURBONSA-N 269.432 4.555 30 10 CJEE C#C[C@@H](NC1CC2(CCC(C)CC2)C1)C1CCCCC1 2203802714 XCMPHCBDVFTLIX-USTDVPIWSA-N 273.464 4.517 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCSC1(C)C 2203820814 AAHBLGSWIOWPRW-DLBZAZTESA-N 295.536 4.860 30 10 CJEE CCCCCC#CCN(C)[C@H]1CCCC[C@@H]1C(F)(F)F 2203843140 QTGZXCIHSBUHSB-GJZGRUSLSA-N 289.385 4.623 30 10 CJEE CCCCCCCOc1cc(F)ccc1CNCCC 2204633051 DFSZIOZIYYFRJJ-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C=CCCCCCC[C@@H](O)c1cccnc1C(F)(F)F 2206897303 MDGZEOSWZGCZGE-CYBMUJFWSA-N 287.325 4.660 30 10 CJEE C=CCCCCCCCCN1C(=O)CC12CCCCC2 2207377207 MLJOUVBAJZSGNV-UHFFFAOYSA-N 277.452 4.838 30 10 CJEE C=CCCCCCCCC[C@@](C)(O)c1csnc1OC 2207402109 IOUCKQPDLILTKX-MRXNPFEDSA-N 297.464 4.666 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)c1ncoc1C 2207403046 GFUDWELJFBUWDY-MRXNPFEDSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@](C)(O)CCC=C 2207403701 JSLGKAJWJMZJCS-ROUUACIJSA-N 281.484 4.728 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CCCCC[C@H]1N 2207406685 ZQWXPHGRGMEFQF-KURKYZTESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H](O)[C@@H](C)C(C)C 2207409684 ODHAZQKMIGJMQM-BZSNNMDCSA-N 283.500 4.664 30 10 CJEE C=CCCCCCCCCSc1ccnc(C(=O)O)c1 2207416904 YWLFTROHOASRCC-UHFFFAOYSA-N 293.432 4.789 30 10 CJEE C=CCCCCCCCCCOC[C@H]1CCNC[C@H]1C 2207428627 YUFLJLIWXIZUKA-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ncc(F)cc1F 2207435364 INNMPXVAYLSXJR-HNNXBMFYSA-N 282.378 4.666 30 10 CJEE C=CCCCCCCCCO[C@H]1CNC2(CCCC2)C1 2207439792 XEFDZGNSRWYZRJ-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C[C@H]1CC[C@H](C)CC1 2207443578 BFYJHFLFZPCORP-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)CC1(C)CCCCC1 2207459916 XQBSPXRPLJSAEQ-IRXDYDNUSA-N 283.500 4.786 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1c(C=O)sc(C)c1C 2209916233 XJBXXKQUSRSMNG-UHFFFAOYSA-N 299.439 4.760 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@H]1CC[C@H](CCC)CC1 2216278326 LXOHSHSHPMPCJF-KKUMJFAQSA-N 257.849 4.714 30 10 CJEE N#C[C@H](c1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1F 2218187230 DVLBVLAAGLYJPB-LOWVWBTDSA-N 269.722 4.615 30 10 CJEE C=CCCCCCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1O 2220081069 BLVAZJWBLLMZCG-MWDXBVQZSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCN1CCc2ccsc2C1 2220095579 IITZNZUILBWEED-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@@H](C)CC(F)(F)F 2223548637 HMXITMLYFLGJRO-UPJWGTAASA-N 265.363 4.545 30 10 CJEE C=CCCCCc1c(CNCCC)sc(C)c1C 2223712448 KXABJGYXJIGLLB-UHFFFAOYSA-N 265.466 4.763 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@H]2C(F)(F)F)CC1 2224375572 BHHLDXNLJNRYTL-KGYLQXTDSA-N 274.326 4.527 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1ccc(C(C)C)cc1 2225438330 DHOPVAWOTWHGRM-QGZVFWFLSA-N 257.421 4.510 30 10 CJEE C(#CC1CCCCC1)CNCCCCCCC1CC1 2225814657 LPMHJSXFVQPRIE-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE C=CCCCCCCC[C@H](O)C(CC)(CC)OCC 2227273442 HPYQBWYOLKBJBO-INIZCTEOSA-N 270.457 4.859 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228475984 WMCYQFRTCZIKCK-YYIAUSFCSA-N 283.525 4.844 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@H]1CC[C@H](CCC)CC1 2229863569 BVBREDQMZQJFOG-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC1=CC(=O)[C@H](CC2(C)CC3(CC(F)(F)C3)C2)CC1 2230584269 YATNRCJDHVMJIM-LBPRGKRZSA-N 268.347 4.518 30 10 CJEE CC(C)C[C@H](C(=O)C#Cc1ccc(Cl)cc1)C(C)C 2231085070 PQDQNVLSMIKFQP-INIZCTEOSA-N 276.807 4.579 30 10 CJEE C=CCCCCCCNCCCC(F)(F)C(F)(F)F 2231728707 GGJDSVKKQUYOEO-UHFFFAOYSA-N 287.316 4.690 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cnccc1CC 2231906061 UEIJCXSKPVWZSA-QGZVFWFLSA-N 263.425 4.602 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cnccc1C 2231926879 ZTZKQDSAWAPDKS-MRXNPFEDSA-N 262.441 4.619 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@@H](NCC)[C@H]1C 2234043843 SCWPSYLYUYSSDB-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE N#CC1(C2(O)CCC(C3CC3)CC2)CCCCCCC1 2234349490 QODAOSUNDULCIP-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(CC(C)C)cc1 2234695021 MOKQYBUQYVRLOE-APWZRJJASA-N 271.448 4.584 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1c2cc(Cl)ccc2CC1(C)C 2234703766 UOEDSMGETSWSMJ-NVXWUHKLSA-N 289.850 4.601 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(CC)N(CC)CC 2235513972 OVPNEBOLPSTQGV-QZTJIDSGSA-N 282.516 4.741 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(c2ccccc2)CC1 2235521009 FLOUHRRQCMWFQV-GOSISDBHSA-N 272.432 4.996 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](OC)C1 2235526379 KHQMQLOHQMTRLM-KSZLIROESA-N 281.484 4.696 30 10 CJEE CCCC[C@](C#N)(CC)c1c([N+](=O)[O-])ccc(F)c1Cl 2235698714 QLGMBOQEARRJRW-AWEZNQCLSA-N 298.745 4.749 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@@H](C(C)(C)C)C2)c(C#N)c1 2238149456 DXKUQOBYWBIDSF-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 2238153418 ANQOECWVDIKLTG-QWHCGFSZSA-N 291.826 4.623 30 10 CJEE CC1(C)C[C@](C#N)(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CO1 2238903642 HCCFRWAYHFYUKL-CVYDXHPNSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCCOc1cncc([C@H](C)N)c1 2239508431 VIHZTBANRSGWTH-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@H](CC)CC[C@H]1NCC 2239511993 ZHDACTNUVOWLCZ-BRSBDYLESA-N 281.484 4.695 30 10 CJEE CC(C)c1ccccc1[C@H](O)C#Cc1ccc(Cl)cc1 2239560248 ZIJXGLKXWKCWRE-GOSISDBHSA-N 284.786 4.549 30 10 CJEE C=CC[C@@H](CNC1CCC1)CC(F)(F)c1ccccc1 2240223949 XPAZHZKFOJHZNM-CQSZACIVSA-N 279.374 4.503 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@]1(C#N)CCC(F)(F)C1 2240574159 PLGUJGDGDQEAHJ-HUUCEWRRSA-N 287.394 4.817 30 10 CJEE CCCCCCCC[C@H](C)NCC12CC(C1)C(C)(C)O2 2240640135 NHXHPFRUFCIFHF-HJOIGYKYSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@H](C)NCCC1(O)CCCCC1 2240640918 VQNJMDMCTMBUNX-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H](OCC)C1(C)C 2240650057 RDGFOIKMGAGXAE-ULQDDVLXSA-N 283.500 4.919 30 10 CJEE C=C(C)C[C@H](N)c1cc(Br)cc(C(C)C)c1 2243096258 KSTYOACETPSVHI-AWEZNQCLSA-N 282.225 4.539 30 10 CJEE N#Cc1cccc(F)c1Sc1ccc(Cl)cc1 2247102597 CRHGUYUFNPNFOT-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE C=CCCC(C)(C)CNc1ncc(C(C)(F)F)s1 2253531506 UKHRPYTWIHKUMB-UHFFFAOYSA-N 274.380 4.659 30 10 CJEE Cc1cc(Cl)c(Cl)cc1N[C@H](CC#N)C(F)(F)F 2255386479 HQDOXBGXMXJYDZ-SNVBAGLBSA-N 297.107 4.558 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2255401607 KAYBCRNYBJSZAW-CQSZACIVSA-N 288.218 4.619 30 10 CJEE C=CCN(CC[C@H](C)CCCC(C)C)CC1CC1 2259685283 UEITVYLUYIFZSG-MRXNPFEDSA-N 251.458 4.737 30 10 CJEE C=CC[C@@H](C)Oc1cc(Cl)sc1CN[C@@H](C)CC 2259946178 KOXIHDWMHJKXQF-WDEREUQCSA-N 287.856 4.633 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2261106693 IWYKYUIUPGKPQB-AWEZNQCLSA-N 281.852 4.554 30 10 CJEE C=CCCCCCCCCS[C@H]1CNC(C)(C)C1 2261295637 LECFWNLUEPLTST-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1(C)CC(C(F)(F)F)C1 2264653269 XDTZJLTZKSPJRF-AHPWVWPOSA-N 277.374 4.545 30 10 CJEE O=C[C@]1(CC[C@H]2CCCCC23CC3)CCC12CCC2 2264932376 SAEMWJXCDYIZOR-QAPCUYQASA-N 260.421 4.886 30 10 CJEE Cc1cc(N[C@H](C)CC2CCCC2)cc(C)c1C#N 2265860141 YKTKJEOPQAKNBW-CQSZACIVSA-N 256.393 4.556 30 10 CJEE N#Cc1cc(Cl)cc(OCC[C@H]2CCCC23CC3)c1 2266587405 BMFVOTUYABFIET-CYBMUJFWSA-N 275.779 4.561 30 10 CJEE CCCCCCC[C@H](N)c1ccnc(C(F)F)c1C 2267976533 XSJAYWJPQLFSGM-ZDUSSCGKSA-N 270.367 4.688 30 10 CJEE C[C@H]1CCC[C@@](CO)(CC=CC#CC(C)(C)C)CC1 2268726768 UEXWUTYQCNCIOT-WMZOPIPTSA-N 262.437 4.561 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 2270205043 DROBUQWKVYHLIW-PASDCYSWSA-N 285.497 4.972 30 10 CJEE CC(C)Sc1ccccc1NCC#CC1CCCC1 2274112775 JRJUXUVDSWINQB-UHFFFAOYSA-N 273.445 4.793 30 10 CJEE CC(C)(C)c1cccc(C[C@@]2(C#N)CCC2(C)C)c1 2274445181 CNFSBVTZZOOWGE-GOSISDBHSA-N 255.405 4.857 30 10 CJEE C=C(c1ccccc1)[C@]1(O)CC(C)(C)CCC1(C)C 2274489523 RDNROULFYIBESC-GOSISDBHSA-N 258.405 4.667 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C 2276653320 ITWWDKMHUFCGDH-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE C=CC1(C[C@H](OCCCN)c2csc(Cl)c2)CCC1 2276657221 DVSWKRAYDNRNOO-ZDUSSCGKSA-N 299.867 4.554 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C(C)(C)CC 2278174701 ACTVCOCQBBCNHM-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ccc3scnc3c2)CC1 2278617472 UXQFTOUMDHRGFX-LLVKDONJSA-N 271.385 4.616 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2281051086 QNFDMJOMJRQLKL-NTZUZEMLSA-N 275.480 4.927 30 10 CJEE Cc1ccc(Cl)c([C@@H](O)[C@@]2(C#N)CCCCC2(C)C)c1 2283236668 JZBYREOPHSZMGV-WBVHZDCISA-N 291.822 4.792 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(C(C)C)CC1 2284102192 BZUSAGRQYRZHNT-QGZVFWFLSA-N 275.480 4.787 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1C[C@@H]1C(C)(C)C 2284109022 YWBTXVWMIUGFEA-IXDOHACOSA-N 275.480 4.643 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)CC=CC#CC(C)(C)C 2284170658 JVGJUGBXGZIQSS-OAHLLOKOSA-N 289.850 4.939 30 10 CJEE C=CCc1cc(N)ccc1OCCCCC[C@@H]1C[C@H]1C 2284981935 QGIQGUQNILGJTP-HUUCEWRRSA-N 273.420 4.593 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1cc(C)c(Cl)cc1C 2285426070 PTOXTQCLHJLIMG-SJORKVTESA-N 297.870 4.678 30 10 CJEE C=CCCCCCCCCCN(CC(C)C)C[C@@H](C)O 2287963201 CWHAZZVSNSGKBD-GOSISDBHSA-N 283.500 4.632 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1ccccc1C(C)C 2289792308 WPNFXTRZUADORG-IBGZPJMESA-N 269.432 4.654 30 10 CJEE CC[C@@]1(C)CCSC(=NCC2CC(CC(C)(C)C)C2)N1 2290033472 QDSRZSIXAAVXFW-KVULBXGLSA-N 296.524 4.700 30 10 CJEE CC#CCCCCN(C)Cc1cccc(C(C)(C)C)c1 2290194087 OWBKQYVRJBJAFZ-UHFFFAOYSA-N 271.448 4.610 30 10 CJEE CCCCC#CC[C@@](CC)(CCC(C)C)OCCCN 2292556014 OZYNMGAAQNTWOO-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1CCC(F)(F)C1 2293207287 FRESBNFPUQDMBH-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1csc(C2CC2)c1 2293273132 YKXDLLJRIKZQPJ-MRXNPFEDSA-N 293.476 4.778 30 10 CJEE C=C(C(C)(C)C)[C@@](OCCCN)(c1cccs1)C(C)C 2293348353 MKQJWLIXBOKWOY-QGZVFWFLSA-N 295.492 4.567 30 10 CJEE CCCCCCCC[C@@](CC)(OCCN)c1ccco1 2293413440 LJYXLEHXUFCOJX-QGZVFWFLSA-N 281.440 4.611 30 10 CJEE C=CCCC[C@H](OCCCN)c1ccccc1C(C)C 2293901948 SYKYYNCAGPCJEC-SFHVURJKSA-N 275.436 4.573 30 10 CJEE CC(C)=C1CC[C@@H](C)C[C@@]1(N)C#Cc1ccccc1Cl 2295218959 ITBVDEHFGLYVCJ-KDOFPFPSSA-N 287.834 4.545 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)(C#Cc2ccccc2Cl)CC1 2295234024 HKPAXMANBJWFPO-CRAIPNDOSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(CO)CCCC1 2295680119 WICSDPKJNGNZDG-QGZVFWFLSA-N 283.500 4.658 30 10 CJEE CC1CCC(CSC[C@H](CS)C2CCC2)CC1 2298953022 NSXBJLOQRCFAMW-PIMMBPRGSA-N 272.523 4.892 30 10 CJEE C=C(CC)C[C@H](NC)c1c(Cl)cc(F)cc1Cl 2302212520 BCOPXPPCFRPLRD-LBPRGKRZSA-N 276.182 4.749 30 10 CJEE CCCCCCCC[C@](C)(SCCC)C(=O)O 2306930690 FWTSJKOPLDBZAE-AWEZNQCLSA-N 260.443 4.724 30 10 CJEE FC1(F)CC[C@H]1COCCCCCCCCCS 2313795654 UWMCCTZFGPSPJK-ZDUSSCGKSA-N 280.424 4.709 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc(Cl)cc1CC 2319245478 FQDXYUDODOIKDF-CVEARBPZSA-N 263.812 4.519 30 10 CJEE C=C1CC(NCCCCCCCC)(C(F)(F)F)C1 2319921470 SIBORSCVIQQULJ-UHFFFAOYSA-N 263.347 4.588 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CC[C@H]1C(C)(C)C 2320102062 CEDDZPYLHSNWNO-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCS1 2320320955 UQOYUJDTTARSIQ-HLPPOEQASA-N 265.466 4.874 30 10 CJEE C=CCCON=C(CC)c1ccc(SCC)cc1 2330295621 YOGTVDGRONFOBT-UHFFFAOYSA-N 263.406 4.505 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)sc1CNCCC 2335111429 XATHUOBGNHWCLC-UHFFFAOYSA-N 299.867 4.801 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC(C)(C)C1CCCCC1 2337081282 UOIAORUEQVQMMD-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE C#CCC1(NCc2ccc(Cl)c(Cl)c2C)CCCC1 2338851895 ITWXLWIPSJAVNQ-UHFFFAOYSA-N 296.241 4.728 30 10 CJEE CC(C)(Cc1ccccc1)C[C@@]1(C=O)CC=CCC1 2339400095 ABZCMXBIDWCTOZ-GOSISDBHSA-N 256.389 4.571 30 10 CJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc2sccc2s1 2339571474 GHVBNPIITGYDKW-NEPJUHHUSA-N 289.469 4.663 30 10 CJEE C#Cc1ccccc1NC1CCC(C(C)(C)C)CC1 2339963611 IKDUMBQOCBLDPP-UHFFFAOYSA-N 255.405 4.685 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CC(C)(C)[C@@H]1C 2340588532 BYLDFLZZPHDCES-PMPSAXMXSA-N 268.489 4.641 30 10 CJEE CCCCCC#CC[C@H](O)c1cccc(C(C)C)c1 2343680570 RQJUIDQFMOFIIS-SFHVURJKSA-N 258.405 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1C[C@H]2CCC[C@H](C1)C2 2344338281 YFNPNOIZFUIAMH-CWLKWCNXSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc2ccoc12 2344373458 AQAUBOWYUJILSE-SJORKVTESA-N 257.377 4.686 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)c1ccccc1)NCC 2344384261 VUQAGMBNFJUQHW-WBVHZDCISA-N 259.437 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(C(F)(F)F)c1 2344385813 RQPPDKFWOQSUOJ-ZIAGYGMSSA-N 271.326 4.698 30 10 CJEE CCN(CC1(CS)CC(C)(C)C1)c1cccc(C)c1 2345009627 FTGOTPGQXFUVMJ-UHFFFAOYSA-N 277.477 4.558 30 10 CJEE C=CCCCS[C@]1(C(=O)O)C[C@H](C)CC[C@@H]1C(C)C 2352003604 IAGBMPFANZYXJW-IIAWOOMASA-N 284.465 4.601 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC[C@@H]1CCCC12CC2 2352170293 AOGRIMKBQOMPRS-GOEBONIOSA-N 284.509 4.956 30 10 CJEE CSc1cc(N[C@@H]2CCC[C@@H](C)CC2)ccc1C#N 2353831220 QURWOTUDXMMIFS-TZMCWYRMSA-N 274.433 4.661 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1[C@@H]2CCCO[C@@H]21 2355555128 WATDPGPZUYXHSC-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)CC1CCC1 2360331701 WJEKCTLHRRZGPB-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE CSc1ccc(Nc2c(C#N)cnc3ccccc23)cc1 36913180 XWXKLVREDGIILU-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1cc(C#N)cc(F)c1C 37089255 IWJCPBYYJGXYOR-BXUZGUMPSA-N 262.372 4.633 30 10 CJEE N#C[C@H]1CCCC[C@H]1Sc1ccccc1Cl 37154767 SRJVDNGXSLHGAP-ZYHUDNBSSA-N 251.782 4.514 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc3c(c2)CCC3)C1 37156452 QSQAQOMUZZEXDI-QANKJYHBSA-N 285.456 4.986 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cccc(Cl)c1 37938215 IVMXJFBYODLITN-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE Cc1ccc(C)c(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)c1 53099127 XJKVRKWDUCYFIG-GUYCJALGSA-N 288.460 4.576 30 10 CJEE CCCCCCCCCNCc1ccc(OC)cc1 59055615 KCLIPCLMXMFITG-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCCCCCCCNN1CCCCC1 59711075 YOZIXIKINPYIGE-UHFFFAOYSA-N 268.489 4.898 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)C(C)(C)CC)C1 69433412 RKJNAHZKFFWBBW-ARFHVFGLSA-N 278.484 4.851 30 10 CJEE C=CCCC[C@@H](NCCC)c1nccc2ccccc12 71277692 CCARZJDQROUWJU-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE N#C[C@]1([C@H]2C=CC=CC2)CC2=CCC=C(C(F)(F)F)[C@@H]2C1 75933658 GYLNXEKYYJIBNH-LZWOXQAQSA-N 291.316 4.857 30 10 CJEE N#CC1(Cc2ccc(Cl)cc2Cl)CCCC1 83775646 WHHQWXZIZZJZHU-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE C=C[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCCC 88504723 DSYVKKJUYABFDL-QGZVFWFLSA-N 273.464 4.698 30 10 CJEE C=CCSc1ccccc1N[C@H]1CSCCC1(C)C 94483195 IYUFBGBYUZFPEA-HNNXBMFYSA-N 293.501 4.908 30 10 CJEE C[C@H]1CC=CC[C@H]1COCC1(CS)CCCCCC1 94584076 VNPZSWHYRDPOBF-HOTGVXAUSA-N 282.493 4.876 30 10 CJEE C[C@H]1C[C@@H](OCC2(CS)CCCCC2)CC[C@H]1C 94585825 KGUXZEBYJJIYRU-ILXRZTDVSA-N 270.482 4.708 30 10 CJEE CCCCCCCCCCCCN(C)C(=O)OCC 100310811 ICGHIYRPSFNJMG-UHFFFAOYSA-N 271.445 4.996 30 10 CJEE CN(Cc1cccc(Cl)c1)c1cc(Cl)ccc1C#N 104013322 FYFCDAIURABAKR-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(Cl)ccc1OCC 107582300 QJAPNQHPXIIRGJ-STQMWFEESA-N 264.796 4.892 30 10 CJEE CCC1(CC)CCN(c2ccc(C#N)cc2Cl)CC1 110258744 ZTYVVQKYDLZOOJ-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccccc2C)C1 110263483 PAIDZCDOTGIQIT-ZIFCJYIRSA-N 284.447 4.535 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1ccncn1 112184540 FJZWNNJRGRZEHQ-INIZCTEOSA-N 277.456 4.787 30 10 CJEE CCCCCCCC[C@H](N)c1nccc2ccccc12 113828760 YAUXUPBPFKJLHL-KRWDZBQOSA-N 270.420 4.985 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@H]1[C@@H](C)CC 114349290 OJEVQBZGCPTKMZ-OTWHNJEPSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCCSC[C@H](C)N 116955070 KNOCJCAHQVRFOF-HNNXBMFYSA-N 259.503 4.988 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](N)C12CCCCCC2 117341667 BLCOQYPXVHIREF-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CCCCCCCCN1CCC[C@H](NC)c2ccccc21 122937610 NEHRBZXIKDFSOW-SFHVURJKSA-N 288.479 4.908 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(Cl)ccc1C 125798873 GCURBDLVPZLTFV-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE N#Cc1cc(F)ccc1N[C@H]1CCCCc2ccccc21 126221212 GMTVNBVCDYQTAE-SFHVURJKSA-N 280.346 4.577 30 10 CJEE CC(C)(C)c1ccccc1Oc1c(F)cc(C#N)cc1F 127466290 NMKFSCNCNRWVCV-UHFFFAOYSA-N 287.309 4.926 30 10 CJEE CCCCCCC[C@@H](CCOCCC)NCCC 139603864 JTHZYNWVFVVIGD-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc2S1 140263540 YXCFWYQVJPMIOI-WBVHZDCISA-N 277.477 4.781 30 10 CJEE CCCCCCCC[C@@H](CCCOCC)NCCC 140441841 IVIHGJMLFWMHOT-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCc1cccc(CC)c1Nc1ccc(C#N)c(F)c1 160490559 XRKZWSCPATUFHG-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CCCCCCCC[C@H](O)c1occc1Br 165713226 DHODNCIYCQLWQB-LBPRGKRZSA-N 289.213 4.826 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1cc(Cl)sc1Cl 168240929 PMPDOBOBFRBXGT-DTWKUNHWSA-N 276.232 4.507 30 10 CJEE CCCCCCCCCCC(=O)C1(CC)CCNCC1 169023753 LXMTYSTUDNHTEL-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE CCCCCCC#CC[C@H]1CCCN1C(=O)OC(C)(C)C 205228285 CYKDOXQAMRJWCQ-INIZCTEOSA-N 293.451 4.750 30 10 CJEE C[C@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227072974 VIVGUPDIRXYOAU-YLQAJVPDSA-N 291.460 4.799 30 10 CJEE CCCCCCCCCCn1cncc1[C@@H](N)C(C)C 230366388 HYAANCIUMXWQNW-KRWDZBQOSA-N 279.472 4.680 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](O)CCC 232914265 BVNUOGZTGDWISY-IRXDYDNUSA-N 272.473 4.819 30 10 CJEE CCCCCCCCCCN[C@H]1CCS[C@@H]1C 232916721 UJELBLCZXQBJTO-CABCVRRESA-N 257.487 4.611 30 10 CJEE N#C[C@H](C(=O)c1cc(Cl)sc1Cl)c1ccccc1 236043264 LTWNDADNXWGEHJ-JTQLQIEISA-N 296.178 4.545 30 10 CJEE N#CC1(c2cccc(C(F)(F)F)c2F)CCCCC1 260610665 QAQJUAHKDVGLNU-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE CCCCCCCC[C@@H](CCCC(C)(C)C)NN 300812838 FZTYGMLJAVLKGD-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CCC[C@H](CC#N)O2)cc1 312124171 YAJVJNVEAZAQKL-CVEARBPZSA-N 257.377 4.508 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@]1(C#N)CCC[C@@H](C)C1 312241400 GVDWRCGKRAYONS-MEBBXXQBSA-N 292.766 4.528 30 10 CJEE CCCCCCCCC1(CNC(C)C)CCC(O)CC1 312443143 XGXWOOIOVWGTGA-UHFFFAOYSA-N 283.500 4.656 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccsc1Cl 312548827 RTUVZIKHVXWDOE-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCCC[C@@]1(CNC)CCc2ccccc21 317465839 YTFKSXZGIXZUHP-IBGZPJMESA-N 273.464 4.841 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc(CC)cn2)CC1 379243147 XTBRUOUXPQOHCT-UHFFFAOYSA-N 270.420 4.687 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC23CCCC3)C1 380456177 OGAHUPSZVHUXIH-BRWVUGGUSA-N 274.452 4.504 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cc(Cl)ccc1Cl 385042717 OKUZIMIUDBQGIJ-JTQLQIEISA-N 272.219 4.856 30 10 CJEE C=CCCCCCCNCC1CCC(C)(C)CC1 385182895 LGBGTAGYLKMCTF-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@H](CNCC)O1 389075751 YTYCZVHDPFGHTK-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](CC1(CC)CCC1)NN 394089250 PXAKKBCUTFHDCM-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2c(n1)CCCC2 394229776 QQGCHHGVHFSHCK-KRWDZBQOSA-N 274.452 4.581 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2ccc(Cl)cc2)C1 394578068 TUCUCTBIAFGPIW-WWGRRREGSA-N 276.811 4.860 30 10 CJEE CC/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccc(CC)cc1 396699379 HPXWEYHVUKWLKC-FYWRMAATSA-N 286.224 4.674 30 10 CJEE CC(C)[C@H](C#N)CSc1cc(Cl)cc(Cl)c1 397495670 DLGLHVRSYKSPQU-SECBINFHSA-N 274.216 4.881 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cc(F)c(C)cc21 398303155 KAZKAAZWWKAOMC-LLVKDONJSA-N 278.396 4.690 30 10 CJEE CCCCCCC[C@@H](O)CC(F)(F)c1ccccc1 400496912 LWRKERGVUHEZEE-OAHLLOKOSA-N 270.363 4.890 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)Nc1cccc(C)c1 401490685 GLTHALQPLCMMER-PVAVHDDUSA-N 256.393 4.516 30 10 CJEE CC[C@@H](COc1ccc(C#N)c(Cl)c1)CC(F)(F)F 402328435 SSQNXBYXRRLJTG-SECBINFHSA-N 291.700 4.569 30 10 CJEE C#CCCCCC[C@H](NCC)c1sccc1Cl 686698414 WQGXFLCWPKGASZ-ZDUSSCGKSA-N 269.841 4.636 30 10 CJEE C#CCCCCC[C@H](NCCC)c1csc(C(C)C)n1 686702585 LKBDTKFSOMXKGZ-HNNXBMFYSA-N 292.492 4.891 30 10 CJEE CCC(F)(F)C(C)(C)CC(=O)C=C1CCCCC1 691019558 BMCMNIIGNYUFOA-UHFFFAOYSA-N 258.352 4.908 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@H](C2CC2)C1 695683763 CPOYWSBQKZANFN-WFASDCNBSA-N 274.795 4.592 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](C)CC(C)C 698452837 SBVGKRYNBVRHLO-ILXRZTDVSA-N 296.455 4.596 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CSCc2ccccc21 704046301 KBQQIHUFCHPVLB-INIZCTEOSA-N 275.461 4.557 30 10 CJEE C=CCSC[C@@H](NCC)c1ccc(Cl)cc1Cl 708603009 SUXZDTSNAOAIOA-CYBMUJFWSA-N 290.259 4.563 30 10 CJEE C[C@H]1CCC(C)(C)C[C@]1(C#N)Nc1ccccc1Cl 713080251 FHEFCVZONUKUEQ-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnn(C(C)(C)C)c1 714277295 KRNRYPSCYIVBDU-MRXNPFEDSA-N 279.472 4.779 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 715717258 BWNQKGZAHUSEPJ-TVQRCGJNSA-N 291.744 4.832 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(Cl)c1F 715799801 PUMIWNIPJZZMKP-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE CCCCCCCCCC1(CNC)CC(F)(F)C1 720364974 CJDAVLLVIMEFIU-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE CCCCCCCCN[C@H]1CCO[C@@H](C(C)(C)C)C1 721555141 HEAFUMXINCQLSG-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cccc(C)c2F)CC1 724565292 BJNALWAQAIDSRV-QGZVFWFLSA-N 275.411 4.921 30 10 CJEE CCC1(C/N=C2/N[C@H](C3CCCC3)CCS2)CCCC1 725085505 QBBDPGAGZJHITG-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE CC(=O)c1cccc(N=Cc2cccc3ccccc23)c1 1084566573 OMHWMSJEBQHJAU-UHFFFAOYSA-N 273.335 4.793 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1cc(Cl)cc(Cl)c1 1126122596 SSLCBONELDPAAF-UHFFFAOYSA-N 286.202 4.559 30 10 CJEE C=CCCC[C@H](C)NC(=O)C1(c2cccc(C)c2)CCCC1 1127520969 YJQIVCUFHIIFNL-KRWDZBQOSA-N 299.458 4.668 30 10 CJEE C[C@H](CCC#N)N[C@H](C)c1ccc(Cl)c2ccccc12 1169604048 IBDJRCRAKRIFLT-CHWSQXEVSA-N 286.806 4.836 30 10 CJEE C=C(C)CCN1CC2(CCCC2)[C@H]1c1ccccc1 1170905384 OKRQIVBEPHIRND-QGZVFWFLSA-N 255.405 4.570 30 10 CJEE 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CCCCCCC[C@H](NCCC)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2134376655 LRAMYQRVVFOLSZ-YPLQCARHSA-N 263.469 4.617 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1C[C@@H]1C1CCCCCC1 2135422338 AMJPENCOABMRIH-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1C[C@@H]1C(C)C 2135481915 RXKNZHWNTPNRTP-HZPDHXFCSA-N 285.541 4.727 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)CCS1 2135640666 PVRKZWBZFKSAQH-IWCQGFGOSA-N 280.477 4.694 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H](CC)c1ccccc1 2138956641 MXYIVICJYNRINM-ZWKOTPCHSA-N 258.405 4.515 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc(SC)cc1 2138957222 TXEVBYVSOCZKES-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE CCCCC#CC[C@@]1(CNCC(C)C)CC=CCC1 2138981963 RBYPXMPSRMLGBT-GOSISDBHSA-N 261.453 4.542 30 10 CJEE CCCCC#CCC1(CN)CC(C)(C)CC(C)(C)C1 2138991208 RRTIHPOHYQJWCZ-UHFFFAOYSA-N 263.469 4.752 30 10 CJEE CCC[C@H](CS)COCc1cccc2ccccc12 2140391719 DZNNQWZSPMAOJX-AWEZNQCLSA-N 274.429 4.703 30 10 CJEE C=CCCCCCCn1ccc2c(OC)cccc21 2141905500 LUHFNAHISAEIIF-UHFFFAOYSA-N 257.377 4.786 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2C[C@@H]2C1 2141915699 DIBSHTRJPZSMLZ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC(=O)c1ccc2c(c1)CCC2 2141916345 KOLHYOWIPZRPGH-UHFFFAOYSA-N 256.389 4.885 30 10 CJEE C=CCCCCCCCCCOC[C@@H](N)CC(C)C 2142442669 YPAGMARYBFSDRP-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCCCn1cc(Cl)ccc1=O 2142447868 KZBGSOHJPQGAIQ-UHFFFAOYSA-N 281.827 4.809 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2142448579 PRCRQJOPOSAMQW-BFYMFYIXSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@H](C)OC1 2142449328 ZAQVRGHYOCKCEA-DLBZAZTESA-N 268.441 4.613 30 10 CJEE CCCCCCCCCN1C[C@@H](NCCC)C[C@@H]1CC 2145110168 DNPGMOCJKZRIPD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE Cc1cc(C)c(CC2(C#N)C[C@@H]3CC[C@H](C2)S3)c(C)c1 2145971708 FSAXULRUKFYAQA-BYICEURKSA-N 285.456 4.722 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)c1cc(C)ns1 2147123451 SAUNRFFROJMIBE-MRXNPFEDSA-N 297.464 4.585 30 10 CJEE C=CC[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2C(F)(F)F)C1 2149117420 MCBPGIQLJVTYOA-QLFBSQMISA-N 289.385 4.643 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCCCCCC1(F)F 2152680236 OYRKZUNTLPOYKR-CQSZACIVSA-N 278.346 4.637 30 10 CJEE C=C(C)CC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O 2152852768 AAFLRNRECUJSCZ-GUYCJALGSA-N 275.436 4.720 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CCC(C)(F)F)NC 2153570767 VYOIDEVEWCPHJO-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE CCCCCCCCCC[C@@H](CN(C)C1CC1)NCC 2155633446 HJQAAMSNPSAYMZ-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE Cc1cccc(C#N)c1NC1CC2(CCC(C)CC2)C1 2156591250 UMJRHFJOXNKLBC-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)C[C@H](OC)C1(C)C 2156661831 KUJSKBTXPRVNDM-FUHWJXTLSA-N 281.484 4.530 30 10 CJEE C=C[C@H](N[C@H](C)c1oc2ccccc2c1CC)C1CC1 2158191639 GEXZCVKSLQPLGO-WBMJQRKESA-N 269.388 4.610 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H](OC)C1CCCCC1 2158319936 HOXQJRNRIJGSCA-JQHSSLGASA-N 281.484 4.552 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccccc1OCC 2158327949 MKCKWHDQFRLNBX-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)c1cc(C)cs1 2158609885 XPZVQVYNIGUJKC-RDJZCZTQSA-N 297.508 4.819 30 10 CJEE CCC[C@@H]1CCC[C@@H](N=C2N[C@](C)(C(C)C)CS2)CC1 2159464366 SLEIHUXWDZMAPQ-INMHGKMJSA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@H](C)NCc1ncc(C(C)(C)C)o1 2160620433 FBZPSJGGQBJXGS-AWEZNQCLSA-N 280.456 4.811 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H](COC)C1 2162902430 RBAXQPNSBSWDST-IYARVYRRSA-N 283.500 4.922 30 10 CJEE N#Cc1cc(Cl)nc(NC2CCC3(CCCC3)CC2)c1 2164051451 XLBKPZJDZXZYEU-UHFFFAOYSA-N 289.810 4.522 30 10 CJEE C=C1CCC(C[C@@H](C[C@H](C)c2ccccc2)NC)CC1 2164148755 SSKZZZAFBWYQFV-QFBILLFUSA-N 271.448 4.905 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(F)cc1C(F)(F)F 2164252546 PYTLIFCDTCROOO-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1c(Cl)c(CC)nn1CC 2164474888 IMROXDAFVYCIMP-INIZCTEOSA-N 295.858 4.771 30 10 CJEE N#Cc1ccc(N[C@@H]2C[C@H]3CCCCCC[C@H]32)c(Cl)c1 2166170553 IFRSXXZHXFYXHG-CKEIUWERSA-N 288.822 4.982 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CC2(CCCC2)CO1 2166277490 CFYCIJYCKCFUSF-SJORKVTESA-N 282.468 4.837 30 10 CJEE C=CCC[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1 2167115494 VXZYOTAKXKYKHG-ZDUSSCGKSA-N 273.351 4.530 30 10 CJEE N#C[C@]1(C[C@@H]2[C@H]3CCCCC[C@H]32)CCc2ccccc21 2167344137 MMXFIPGBBZGIGR-VUHPKUFZSA-N 265.400 4.611 30 10 CJEE C#CC(C)(C)C[C@@H](N)c1ccc(-c2ccccc2F)s1 2167607721 JRXVEYBQCNHIIS-CQSZACIVSA-N 287.403 4.604 30 10 CJEE C=CC1(CC(=O)c2ccc(Cl)c3cccnc23)CCC1 2167999173 OBSSFVLBQSANGP-UHFFFAOYSA-N 285.774 4.817 30 10 CJEE C=CC1(C[C@H](C[C@H]2CCCC2(F)F)NCCC)CCC1 2168028278 KYUMUCKGJAVLGN-CABCVRRESA-N 285.422 4.927 30 10 CJEE C=CC1(C[C@@H](N)[C@@H](O)CCCCCCCCC)CCC1 2168031049 MGHGAICFKDVUPJ-SJORKVTESA-N 281.484 4.562 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@H](C)C1CCC(C)CC1 2168488084 ZQAUBGRVGPUDRQ-OGVSOVDVSA-N 270.420 4.518 30 10 CJEE C[C@@H]([C@@H]1CCC[C@@H](C)C1)N(C)CCCCC(C)(C)C#N 2168524521 WVBMJRPDUHBTES-IXDOHACOSA-N 278.484 4.853 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CC[C@H](C(F)(F)F)O2)C1 2168547664 JDRBDMYANQNTGP-BZPMIXESSA-N 289.341 4.597 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](C)NCc2ccc(C#N)cc2Cl)C1 2168618317 DIGDKPUVBHPOCR-NFAWXSAZSA-N 290.838 4.516 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H](O)c2ccccc2Cl)C1 2169746148 YALJVLLISBNGGT-WBVHZDCISA-N 294.822 4.549 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc(C)c(C)c1OC 2173290665 QFBKSKCGEDLXLQ-GUYCJALGSA-N 275.436 4.565 30 10 CJEE C#CCCCC[C@H](NCC(C)C)[C@H](C)c1ccccc1 2173496049 ZQCQFECACKTRCI-MJGOQNOKSA-N 271.448 4.598 30 10 CJEE N#C[C@]1(C[C@H]2Cc3ccccc3S2)CCCCC12CC2 2173623924 YBZNLOKYSXWCMZ-CRAIPNDOSA-N 283.440 4.958 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@@H]1CCCCC12CC2 2173675652 IGZJMJGKSSZATD-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CN(C)c1ccc(C#N)c(Cl)c1 2176481457 DIPIIGARCJNKTK-GOEBONIOSA-N 290.838 4.720 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cc2c(s1)CCOC2 2179675830 AKVSEGWIAOUGKM-OAHLLOKOSA-N 293.476 4.608 30 10 CJEE C/C=C/CCC[C@H](NCCC)[C@@H](O)CCCCCCC 2179779651 NJBYFHAUFQCFEV-ZGCXVMDJSA-N 283.500 4.822 30 10 CJEE CCCCCC1CC(N(C)CC2(C#N)CCCCC2)C1 2180045200 FWHUXRZZDOEFGR-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CC[C@@](C#N)(C(C)C)C1(O)CC2(CCC(C)(C)CC2)C1 2184367406 OLFQHXGQUNDILY-QGZVFWFLSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCOC[C@@H]1C[C@@H]2CC[C@H](C1)N2 2184610348 YSQKLZKYIWIVPL-BCDXTJNWSA-N 281.484 4.674 30 10 CJEE C=C(COCCC)C1(O)CCC2(CCCCCC2)CC1 2185750997 NBYNDXJPAGWLST-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE CC[C@@H](C1CCCC1)N(C)C[C@@H](CS)c1ccccc1 2185838182 UETZNCUMDLATKS-ROUUACIJSA-N 291.504 4.601 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CCCOC2(C)C)CC1 2187006070 LXYWHIKKTSYZRF-HUUCEWRRSA-N 278.436 4.533 30 10 CJEE O[C@@H](CC#CC1CCCCC1)c1scc2c1CCCC2 2187127498 DRZYECNNIUDVFK-KRWDZBQOSA-N 288.456 4.634 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)C2(C)CCCC2)C1 2187839691 BHDLMVMGOSRHAT-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCc1nc(N)c2cc(C)sc2n1 2187985722 SUVAYMNVFBYSJZ-UHFFFAOYSA-N 291.464 4.875 30 10 CJEE O=C[C@]1(Cc2csc(C(F)F)n2)CCCCC12CCC2 2188705836 DCHVVTSGGIDAEW-OAHLLOKOSA-N 299.386 4.553 30 10 CJEE CCc1ccc(C#N)c(O[C@@H]2C[C@H](C)CC(C)(C)C2)c1 2188834107 PBCIKFYEOHFZKN-XJKSGUPXSA-N 271.404 4.714 30 10 CJEE CCc1ccc(C#N)c(NC[C@H]2CCCC3(CC3)C2)c1 2188846423 HXZZHZDSYXSRJD-HNNXBMFYSA-N 268.404 4.503 30 10 CJEE N#C[C@]1(C[C@@H]2CC3(CCCCC3)O2)CCCCC12CC2 2189584256 VOQOCDVDHRQTMQ-NVXWUHKLSA-N 273.420 4.732 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCOCC1(C)C 2189769387 KQLCWNJRSOASQE-DLBZAZTESA-N 284.484 4.941 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@@H]1COC)NC 2190100244 MHQAHBLPFGLFFT-KZNAEPCWSA-N 283.500 4.778 30 10 CJEE C[C@H]1CC[C@H](CN=C2NC3(CCCCCC3)CS2)CC1 2192819328 CWACSKJLKXCERW-SHTZXODSSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCCCNC[C@@H](C)CC(=O)O 2193299602 CPDRTHYYCDFTSX-INIZCTEOSA-N 285.472 4.608 30 10 CJEE CCC[C@H](CC)N(C)c1ccc(C#N)c2ccccc12 2193691690 TUIJYEWLTPEKTQ-HNNXBMFYSA-N 266.388 4.726 30 10 CJEE C=C(CN(C)C[C@@H]1CC12CCCCC2)c1ccccc1 2195510217 JRMQFLFQKSTCLP-SFHVURJKSA-N 269.432 4.602 30 10 CJEE C=C(CN1C[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccccc1 2195512501 FTXGSAVNRZYNLT-AYOQOUSVSA-N 269.432 4.600 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Cl)c(C)c1)C1CC1 2196835583 CUAIFWAHZGRRAT-MAUKXSAKSA-N 289.850 4.739 30 10 CJEE C=C(c1ccccc1)[C@@](O)(CC(C)C)c1ccccc1 2197141216 CJLKGHHSWKXUAW-IBGZPJMESA-N 266.384 4.634 30 10 CJEE C=C(C[C@@H](NCC)c1ccc(F)cc1)c1ccccc1 2197153864 FWWNYXYWEITWBD-GOSISDBHSA-N 269.363 4.580 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2C[C@@H]2C2CCCCC2)C[C@@H](C)O1 2200501102 GYYXKTQUQSGCLQ-KVDVXYDOSA-N 275.436 4.690 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=NC2CCC(CC)(CC)CC2)N1 2201218275 PCJFWUGYXWXAFD-ZFWWWQNUSA-N 296.524 4.843 30 10 CJEE CCCCC#CC[C@@H](NCC)C(C1CCC1)C1CCC1 2203787456 NBVCNZCCCJCRPD-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@H](NCCC)c1cnc(C2CC2)s1 2203825887 YFANEZWYBIRMIP-HNNXBMFYSA-N 290.476 4.645 30 10 CJEE N#Cc1ccc(N[C@@H](C(F)F)C2CCCCC2)c(Cl)c1 2204071996 AFPRIBWTKNXMTA-CQSZACIVSA-N 298.764 4.838 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1[C@H]2CC[C@H]3C[C@H]2CC[C@@H]13 2205254075 JKGFHLBLUYZDIS-JBZDIBFRSA-N 273.464 4.536 30 10 CJEE C=CCCCCCC[C@@H](NCC)C(C)(C)[C@@H]1CCCO1 2206902690 MFTTVGJJAUDQIE-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ccc2c(c1)CCC2 2206903947 WLNIOBREPDSUGO-LJQANCHMSA-N 271.448 4.962 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]12CC[C@@](C)(C1)OC2 2207374151 ATDMYOJMFACLHW-ROUUACIJSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCCSCC1 2207375576 UOKRAVURTYCBOB-KRWDZBQOSA-N 298.492 4.511 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@@H](C)O[C@@H]1C 2207396521 MDYLTCYDSRGQQI-KURKYZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCNCc1oc(CC)nc1C 2207396534 MFTOKSDTPBZXFZ-UHFFFAOYSA-N 278.440 4.552 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1Cc2ccccc21 2207403656 PAKSGGAYAPBQKC-OALUTQOASA-N 272.432 4.994 30 10 CJEE C=CCCCCCCCCC[C@H](COC1CC1)NCC 2207408817 KYEDWAMKNWIBRF-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCO[C@@]1(C)CNCC[C@@H]1C 2207411736 DIWNNQMAWSYSOK-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C(C)(C)C 2207431565 GRKDUKFJGDZDSZ-IKGGRYGDSA-N 280.500 4.807 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1CCCC12CC2 2207437893 PRNFEBCBRFFBNE-IRXDYDNUSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@]1(C)CCCOC1 2207443385 ZQXCGJBEPOGUMI-ZWKOTPCHSA-N 282.468 4.861 30 10 CJEE C=C1CCC(CC(=O)[C@H](O)CCCCCCCC)CC1 2207444970 NSQKXPBFALKTAI-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE CCCN[C@@](C#N)(CSCC(C)(C)C(C)C)CC(C)C 2207595795 QYDHTKHIHLAFQQ-KRWDZBQOSA-N 298.540 4.710 30 10 CJEE CCCN[C@@](C#N)(CSC(C)(C)C)C1CCCCCC1 2208097418 JTZUDOABSVPQQP-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE C=C(C)CC[C@@H](C)Nc1cc(Cl)c(N)cc1Cl 2213664074 RXAUEZHXRRCZQE-SECBINFHSA-N 273.207 4.732 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CC[C@H](C)S1 2220081912 AZEYGRQVLBLICH-HRCADAONSA-N 269.498 4.775 30 10 CJEE C=CCCCCCCCC(=O)[C@H](CCC)COC 2220098913 ZGFXJSYJGUAMDF-OAHLLOKOSA-N 254.414 4.535 30 10 CJEE CCCC1CCC(C=O)(CC[C@@H]2C[C@H]2CC)CC1 2220851381 OXEVGFCVMDOMCQ-JCCCHCCOSA-N 250.426 4.988 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225302720 XVKOCRLCUONFOK-IMRBUKKESA-N 268.347 4.518 30 10 CJEE Cc1cc(NCCCCCCC2CC2)ccc1C#N 2225808603 OLHNGNACCRGHGO-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@]1(CC)CCCCO1 2227268323 OPZPNHPMVOEPKY-SJORKVTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)C[C@@]1(C)C(F)F 2227268485 PYVBOSPZPLOGER-LSDHHAIUSA-N 274.351 4.649 30 10 CJEE C=CCCCCCCC[C@@H](O)c1nccc(C)c1C 2227273679 RVOYTNRNGOFEAA-MRXNPFEDSA-N 261.409 4.649 30 10 CJEE C=CCCCCCCC[C@@H](O)CC1(OC)CCCC1 2227274017 IYQWAGMUDSGCBH-MRXNPFEDSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(OC)cc1 2227279756 KDTTXDHWSWKEPP-UHFFFAOYSA-N 260.377 4.795 30 10 CJEE C=CCCCCCCC[C@H](NN)c1scc(C)c1C 2227281362 RCWRRAIIRMAYDB-HNNXBMFYSA-N 280.481 4.786 30 10 CJEE C=CCCCCCCC[C@H]1CC(F)(F)C[C@@H]1NCC 2227284757 CCULTTLSLITHAZ-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCCC(=O)c1nccc(C)c1C 2227287183 KUDNTTXWXYEVJC-UHFFFAOYSA-N 259.393 4.798 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)ccc1[N+](=O)[O-] 2231042056 KNOFCPYYHMJOKX-LBPRGKRZSA-N 283.755 4.762 30 10 CJEE C=C(C)CCOc1cccc(CN[C@H](C)CC)c1Cl 2231584698 QVHUPBBVFVYIRQ-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NCC)C(C)(C)C 2231926539 VUTBQLHUGZHTEX-NVXWUHKLSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(OCCC)CC1 2231934864 MQSCPXIVMTZEOL-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1OC[C@H]2CCC[C@@H]21 2233186545 MDCUXCBZBCIUJY-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE C=CCC[C@H](C)N(C)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233554744 PTOWBDQVUKJARV-JONQDZQNSA-N 285.422 4.735 30 10 CJEE C=CCCCCCCCCOCc1ccsc1CNC 2234052920 DFOUMRUBMUABEY-UHFFFAOYSA-N 295.492 4.901 30 10 CJEE C=CCCCCCCC[C@@H](CNC(C)(C)C)NCCC 2235524885 VHWKVSXQTBCQGG-KRWDZBQOSA-N 282.516 4.659 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1csc(C(C)C)n1 2235535584 PVGYJWABUYOLDV-CQSZACIVSA-N 295.496 4.688 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1nc(C)oc1C 2235536567 WNBSDLCPEHBFBO-INIZCTEOSA-N 278.440 4.859 30 10 CJEE C[C@@](O)(CC#CC1CCCCC1)c1cc(F)cc(Cl)c1 2237801852 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CCCc1ccc(C[C@]2(C=O)CCC[C@@H](C)C2)cc1 2268243249 PVZFSBZWHSREHN-QAPCUYQASA-N 258.405 4.577 30 10 CJEE C=CCCCSC[C@H](NCCC)[C@@]12CCCC[C@@H]1C2 2271496545 YEHGLPRSOHUMBU-IXDOHACOSA-N 281.509 4.634 30 10 CJEE C=CCCCCCCCSC[C@H](NC)C1CC(C)C1 2271591110 PBTRAOBGSVNUEG-JCYILVPMSA-N 283.525 4.880 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@H](c1ccccc1)C(C)C 2271781863 DUPKWMVLBWLKTM-ZWKOTPCHSA-N 260.421 4.924 30 10 CJEE C=C(C)CCCC[C@@H](N)C1C2CC3CC(C2)CC1C3 2271784932 IVLTYDWQGCYZON-SVXFNXITSA-N 261.453 4.523 30 10 CJEE C=CCOc1ccccc1C(=O)CCCCC(=C)C 2271842497 WXRCMTDGULODOD-UHFFFAOYSA-N 258.361 4.571 30 10 CJEE C#CCCCCC[C@H](N)c1sc(C(F)(F)F)cc1C 2277661828 YVFWEEPYCMJRNG-NSHDSACASA-N 289.366 4.659 30 10 CJEE N#C[C@]1(CC[C@H]2CCCC23CC3)CCOC12CCCC2 2281334595 XKTMLNOOKGXWRI-WBVHZDCISA-N 273.420 4.590 30 10 CJEE C=CCCCCCC[C@H](N)[C@H](O)c1cc(C)ccc1Cl 2283368789 YOXZMEGPLNQODB-DLBZAZTESA-N 295.854 4.536 30 10 CJEE CC(C)(C)C#CC=CCNC1CC2(CCCCCC2)C1 2284102242 CSTUBTRFWWJWTC-UHFFFAOYSA-N 273.464 4.685 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1c(C)cc(OC)cc1C 2285116140 ZIOCWTTYSXFPOZ-SUMWQHHRSA-N 275.436 4.565 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C(C)(C)[C@@H]1CCCCO1 2287371618 DVCOANBSQFOBBJ-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](COC)CC(C)C 2287409098 QCUOZBBCNMGVKU-ROUUACIJSA-N 283.500 4.800 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](OCC)C(C)(C)C 2287468506 VODNNFOOZXRWCS-IAGOWNOFSA-N 283.500 4.942 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2c(c1)CCCC2 2287468668 XOWXFZWYFUQFAP-LJQANCHMSA-N 271.448 4.962 30 10 CJEE CCC(CC)C(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290190715 NRWDUJUONBQTMV-INIZCTEOSA-N 271.404 4.597 30 10 CJEE C=CCCCCCC1(OCC(=O)O)CCC(C)(C)CC1 2291440495 OMWWNCWGTDCLMC-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCC[C@@H](C)CC1 2291442148 UMRAQGJNTUDIRT-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@]1(OCC(=O)O)CCC[C@H](CC)CC1 2291464395 ZDGHDJDCESXSAO-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCN)C1=CC[C@@H](CC)CC1 2293273080 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N#C[C@H]1CCCCC[C@@H]1Nc1ccccc1SC(F)F 54823374 JLTOQEXQGHTKRP-NEPJUHHUSA-N 296.386 4.886 30 10 CJEE N#C[C@H](CCCCOc1ccccc1)c1ccc(F)cc1 57685561 WKLZVSJMIGBNOA-INIZCTEOSA-N 283.346 4.682 30 10 CJEE COc1ccc(F)cc1[C@@H](C#N)Cc1ccc(C(C)C)cc1 57744252 HRKFTXHALOAMOC-MRXNPFEDSA-N 297.373 4.808 30 10 CJEE Cc1ccc(Sc2nc3c(cc2C#N)CCCC3)c(C)c1 70139624 NFLOYTPCIRQWAY-UHFFFAOYSA-N 294.423 4.600 30 10 CJEE CCCC[C@@H](CC)c1nc2cc(C#N)ccc2n1CC 86635868 VXACMKYKEQINGV-CQSZACIVSA-N 269.392 4.612 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 86942424 RYCYZEYNGBBVLO-HZPDHXFCSA-N 286.419 4.606 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cccc([N+](=O)[O-])c2C)C1 87972381 VTSAUQPBEPMOMI-WMLDXEAASA-N 286.375 4.556 30 10 CJEE CCOc1ccccc1OCC[C@]1(C#N)CC[C@H](CC)C1 88415913 GUAGWKOOPVRYDL-MAUKXSAKSA-N 287.403 4.574 30 10 CJEE CC1(C)CC(=O)C=C(Cc2nc(-c3ccccc3)cs2)C1 94257580 WYMCGICUQGADLZ-UHFFFAOYSA-N 297.423 4.668 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1cc2ccccc2[nH]1 94629290 ZPVRASQTRGIZEE-UHFFFAOYSA-N 284.771 4.844 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(OCCCC)cc1 97283887 ZHHZCHPMGWPWDI-SFHVURJKSA-N 275.436 4.872 30 10 CJEE COc1cccc(/C=C2/CCc3c(C)cc(C)cc3C2=O)c1 97993124 QYTATUUXOUVKHZ-WJDWOHSUSA-N 292.378 4.525 30 10 CJEE O=C(C1=CCCCCC1)c1cc2c(s1)CCCC2 104004645 PKNPMDFNLHOGRB-UHFFFAOYSA-N 260.402 4.700 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cccc(Br)c1C 107511212 SAOHHXKHKHDVBO-QWRGUYRKSA-N 265.194 4.520 30 10 CJEE C#CC[C@H](C)c1ccc(Oc2ccccc2)cc1C 107617527 HQNCYGBXBMKMOB-AWEZNQCLSA-N 250.341 4.914 30 10 CJEE CCCCCCCO[C@H](c1cccc(C)c1)[C@H](N)CC 109987624 HOWUPJXFFYGXOV-QZTJIDSGSA-N 277.452 4.760 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccccc1C(F)(F)F 110251462 WTDYKUFKVWNSPR-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCc1ccccc1Nc1ccc(C#N)c(Cl)c1 110256193 BJHBJKFXVQGJBT-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE CCCCCCCCCCN1CCc2cc(N)ccc21 110368971 YLXUSUAYTWCYGZ-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CCCCCCC[C@@H](CNCC)c1ccc(F)cc1 118844904 NXMURYWYYMZXOG-INIZCTEOSA-N 265.416 4.879 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@H](OC)C1 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251.458 4.905 30 10 CJEE N#C[C@H](Sc1ccc(Cl)cc1)C1CCCC1 167878865 ZVCPSMSVVVDQGS-ZDUSSCGKSA-N 251.782 4.514 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(OC)cs1 168180369 ASFRDXIIELKXEM-AWEZNQCLSA-N 270.438 4.931 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC(CC)(CC)CC2)C1 222808120 NZWDRUZLOBSQRI-KURKYZTESA-N 290.495 4.997 30 10 CJEE C=C(c1cc(Cl)nc(Cl)c1)C(Cl)(Cl)Cl 224095542 XPQABGHJVOLPOI-UHFFFAOYSA-N 291.392 4.772 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)(C2(C#N)CCCCCC2)C1 230794677 DPUBCYDZGLSNBQ-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCNC[C@H](C)c1nccs1 232948300 DJEYQZAAGXMWKB-HNNXBMFYSA-N 282.497 4.977 30 10 CJEE CCOc1ccc(C(=O)C2=CCCCCCC2)cc1 233794125 OIZZGIGXIQAFRH-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NC[C@H]1CC(C)C 250812481 HXIYUBYANFZWCH-RTBURBONSA-N 296.543 4.691 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C(C)(C)C#N)cc2)C1 251692028 AWBXUYBOQBKLFT-HALDLXJZSA-N 270.420 4.724 30 10 CJEE N#Cc1ccc(N[C@@H]2/C=C/CCCCC2)cc1Cl 302329867 DALDAEYAYQEYCB-DIECRNLCSA-N 260.768 4.512 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCC(F)(F)C1)NN 302419904 LNERQXIYPRZHPG-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cccc(Cl)c1Cl 305898122 SZFAUKCYZLOLQW-CYBMUJFWSA-N 284.230 4.694 30 10 CJEE N#C[C@@H](Sc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2 305988167 IWYDBSLTNZHWGM-LWWSYDQCSA-N 277.820 4.760 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)[C@@H](C)CC(C)C 306109128 UWBOAJYVCAHCSS-FZMZJTMJSA-N 265.784 4.638 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)CC1 308116337 YXWBFIBDTPHEGD-ZBFHGGJFSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(OC)s1 310275523 OJTWOXHICBXADT-GFCCVEGCSA-N 256.411 4.541 30 10 CJEE CCCCCCCCCC[C@@H](C)C[C@H]1COCCN1 312033267 YWKAQSMGCMFLLV-SJORKVTESA-N 269.473 4.532 30 10 CJEE O=C(C1=CCCCCCC1)c1cnc2ccccc2c1 312472349 FZJWZBJIJGJWQF-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(OC(F)(F)F)c1 313021470 XSVQIASPLGCAQH-CQSZACIVSA-N 287.325 4.592 30 10 CJEE C[C@@H]1CC[C@H]([C@@]2(C=O)CCCc3ccccc32)C[C@H]1C 316426362 LAVBQFANCQFTGR-RRIFGTCXSA-N 270.416 4.532 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CCC)C2CCC2)CC1 322895634 FEQFAXKXFNSPOD-VMWRSERWSA-N 277.452 4.818 30 10 CJEE N#Cc1ccc(Cl)c(NCC/C=C/c2ccccc2)c1 323342891 YGVRDCZCRWIBCW-XBXARRHUSA-N 282.774 4.727 30 10 CJEE C[C@@H]1CCCCC[C@@H]1/N=C1/N[C@H](C2CCCCC2)CS1 386135671 PNBGGBUYKKHWPA-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)C1(CC(C)C)CCCC1 387638128 HOIBHUYHTLFSRJ-QGZVFWFLSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@@H](C)Nc1cn(C)nc1C(C)C 388730751 XMNYPZXIBWFZQI-CQSZACIVSA-N 265.445 4.704 30 10 CJEE CCCCCCCCC[C@@H](N)CCC[C@H]1CCOC1 400935387 ALTMLPAORNSYGU-DLBZAZTESA-N 269.473 4.661 30 10 CJEE Cc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1C 512659395 GLYWSARMPSDJPP-LSDHHAIUSA-N 296.389 4.726 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@]1(C)CCOC1 687393461 PMRWSDDUKJZBDU-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@](C)(O)C[C@H]1CCCO1 689776497 FUFQLWCUPYQECA-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@@H]1C[C@H]1OC 690066024 BAQISLFMKFPNCI-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC1(CNC)CC2(CCC2)C1 691372564 OJJPUQRGVSFTKT-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OC 692240640 QEQWFQHGMCRDNE-BBRMVZONSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@]1(O)Cc2ccccc2[C@H]1C 698989692 UDBVOCAMLUQRDY-QAPCUYQASA-N 260.421 4.828 30 10 CJEE SC[C@@H](COc1ccc(-c2ccccc2)cc1)C1CC1 702020721 SMNVPVIGNWBTDG-QGZVFWFLSA-N 284.424 4.688 30 10 CJEE CCCCCCCNCc1nc(-c2ccccc2)cs1 703724749 YNFKECVTMQBQGG-UHFFFAOYSA-N 288.460 4.870 30 10 CJEE CCCCCCCn1c(S)nc2cc(C)ccc21 703726491 GRKWQRQXJXOBTM-UHFFFAOYSA-N 262.422 4.604 30 10 CJEE CCCCCCCNc1nc(C(C)C)nc(Cl)c1C 703779924 LHBUFBWLGLMEJX-UHFFFAOYSA-N 283.847 4.944 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)SC1CCCCC1 704910972 XDKXZWAJFXTQEH-VHDGCEQUSA-N 251.439 4.771 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)c1ccns1 705398847 RVHMEYUHRPMJRR-OAHLLOKOSA-N 297.512 4.959 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCCC(C)(C)C1 708599245 CNUGGEJZFBCGFL-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C)c(Cl)c1 709350730 HEHSMGKAKFOIRN-WBVHZDCISA-N 277.839 4.873 30 10 CJEE C=C(Cl)C[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 710592431 RWLIYDXZQAHJME-IZTSSTLKSA-N 281.871 4.843 30 10 CJEE C=CC(C)(C)CCNC[C@@H]1CCC[C@H](C(F)(F)F)C1 713009593 UFATYUSDFAAKDV-OLZOCXBDSA-N 277.374 4.547 30 10 CJEE CCCCCCCC[C@H](O)CC[C@@H]1C[C@H]1C1CC1 715522422 AIZOIJRJPDWDMN-IKGGRYGDSA-N 252.442 4.924 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Br)cc1C 715722862 COLCMTGNFSQJNY-ABAIWWIYSA-N 296.252 4.620 30 10 CJEE CCCCCCCCC[C@]1(O)CCCc2cccnc21 716193294 UKLABABDMVDKGN-SFHVURJKSA-N 275.436 4.746 30 10 CJEE CCCCCCCCCCn1cc(N)c(C(F)(F)F)n1 716644712 PLMJDCNQNNNMHP-UHFFFAOYSA-N 291.361 4.625 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NC 716917266 QNCXMOWWUJNOCU-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE C[C@H](COCc1ccccc1)CC1=CC(=O)CC(C)(C)C1 719181647 GDZYGCNYDFPTTH-HNNXBMFYSA-N 286.415 4.545 30 10 CJEE CCCCCCCC(=O)CCCOCc1ccccc1 719193290 RVUOPLBVHUXGFH-UHFFFAOYSA-N 276.420 4.913 30 10 CJEE CCCCCCC[C@H](C[C@H](COC)C(C)C)NCC 721723590 GPSUFEJBZUGHDM-IAGOWNOFSA-N 271.489 4.634 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc2ccccc2c1 1127430287 UCXOMAYTWWZWKN-HZPDHXFCSA-N 295.426 4.804 30 10 CJEE C=CCCC[C@@H](NCCCOC(C)(C)C)c1ccccc1 1197368897 ORURIYNQRBXZSL-GOSISDBHSA-N 289.463 4.879 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1cccc(-c2cccs2)c1 1199510328 NJZHFQWTPSGVOO-HNNXBMFYSA-N 298.411 4.597 30 10 CJEE C=C(CC)CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1307762519 XKEFPZSDRUPJSR-HNNXBMFYSA-N 297.364 4.851 30 10 CJEE C=C(C)COc1cccc(NCc2csc(C)c2)c1 1308316062 YDBZUXGQNVQMBL-UHFFFAOYSA-N 273.401 4.624 30 10 CJEE C=CCCCC[C@@H](C)NCc1ccsc1C(F)(F)F 1308892751 UBDDSQXLXIIDCF-LLVKDONJSA-N 291.382 4.991 30 10 CJEE C=CCOc1ccc(OC(=O)C2CCCCCCC2)cc1 1360863145 LQLOETLHBCSYCI-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)O[C@H](C)C1 1459520667 XWHCDYWFGVCYEG-SJORKVTESA-N 269.473 4.626 30 10 CJEE C=C[C@H](OC(=O)[C@@H](SC)c1ccccc1)c1ccccc1 1461550911 RJQGBHWUIGFJIN-IRXDYDNUSA-N 298.407 4.561 30 10 CJEE C=CCCN(Cc1ccco1)Cc1cc2cc(C)ccc2o1 1473177420 FYRJLNDBCPJHOO-UHFFFAOYSA-N 295.382 4.913 30 10 CJEE C=CCCCN(C)c1ccc(-c2ccccc2)cc1 1473199714 QSVZWFKDPZDVAF-UHFFFAOYSA-N 251.373 4.756 30 10 CJEE C=CCCCCCCCNC(=O)Cc1cc2ccccc2o1 1524524949 BVEKHLWIXVFMPT-UHFFFAOYSA-N 299.414 4.618 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1536812444 DKBPAAQZCAJWNF-KRWDZBQOSA-N 277.383 4.664 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)o1 1537213537 JISDIXGPVASYII-INIZCTEOSA-N 295.382 4.517 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1CCC(C)(C)CC1 1537944411 QXUNYRVFXZHFIS-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C#CCN(CCCC1CCCC1)[C@H]1CCCc2ccccc21 1560171730 CZIKXBPRJRMZGL-NRFANRHFSA-N 295.470 4.970 30 10 CJEE C#CCN(C1CCCCC1)[C@H]1CC[C@@](C)(c2ccccc2)C1 1560657269 HWBZIYCUVNNTJZ-LEWJYISDSA-N 295.470 4.765 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCc2ccc(C)cc21 1560913854 RZVAZNFKARZSOC-FUHWJXTLSA-N 257.421 4.707 30 10 CJEE C=CCCC1(CN[C@H]2CS[C@H](C(C)C)C2)CCCC1 1560929038 LKSFQXXZFDFCDW-CVEARBPZSA-N 281.509 4.633 30 10 CJEE CCCCCCC[C@H](C)NCc1nc(C(C)(C)C)co1 1561041667 ASLIXJCSBZAYSF-AWEZNQCLSA-N 280.456 4.811 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](C)c1ccc(F)cc1)c1ccccc1 1586194656 MSYPWMYPTPCHOT-RDTXWAMCSA-N 298.357 4.790 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(-c2ccccc2)o1 1587021771 QPFQZDFMMDLKQR-UHFFFAOYSA-N 297.398 4.813 30 10 CJEE Cc1cccc(S[C@H](C#N)CCc2ccccc2)c1 1613504495 AQKHUUZCCHJKMS-KRWDZBQOSA-N 267.397 4.612 30 10 CJEE C#CCN(C[C@H](C)CC1CCCCC1)C1CCCCC1 1621143238 AKXWVRLPCXVIBG-QGZVFWFLSA-N 275.480 4.861 30 10 CJEE C=CCC1(CNC[C@@H](C)c2ccccc2)CCCC1 1621333847 WEBQHOUHELTFHR-MRXNPFEDSA-N 257.421 4.516 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 1627390946 GAWAWKHOHQTRSP-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@H](C/C=C\C)C1)c1ccccc1 1631189212 SXEIQMAEWQKSBS-MXNAJAOXSA-N 297.442 4.551 30 10 CJEE C=C(CN[C@H]1CCC[C@H](CC)CC1)c1ccccc1 1649117667 MVGYBFOKPGPJQZ-WMZOPIPTSA-N 257.421 4.648 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)s1 1654353404 NLXYLRFNGXBFPB-UHFFFAOYSA-N 291.847 4.980 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@@H]2C2CCC2)CCCC1 1659649123 DCVNYYUBUDUQOI-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc2c(c1)CCOC2 1660289799 NNZYZLUOFKBZNQ-OAHLLOKOSA-N 273.420 4.696 30 10 CJEE C=CCCC[C@@H](NC(=O)N[C@H](C)CCC)c1ccccc1 1676429676 LANYTOIRHOYKRR-NVXWUHKLSA-N 288.435 4.572 30 10 CJEE CCCCCCCCNC(=O)CCCc1ccc(F)cc1 1859575125 IEETYCRTILHCLY-UHFFFAOYSA-N 293.426 4.625 30 10 CJEE N#C[C@]1(C2CC(c3ccccc3)C2)CCCC12CC2 1875853711 YABJXCMZXAOBHK-HTWSVDAQSA-N 251.373 4.654 30 10 CJEE C=CCCCCC[S@](=N)(=O)Cc1cc(C)cc(C)c1 1879718107 HGXRTLHKVAUKOY-IBGZPJMESA-N 279.449 4.597 30 10 CJEE C=CCCN(CC[C@H]1C[C@H]1C1CC1)Cc1ccccc1 1883421592 KAQRCMOINDIBRP-OALUTQOASA-N 269.432 4.501 30 10 CJEE CC#CCCCC[C@@H](NC)c1cc(C(F)(F)F)cs1 1885235465 FSWQWHSHJPZYRR-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CC12CCCCC2 1885238448 WCNVRSMRGMZYKU-SJORKVTESA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCCCC1(C)C 1885245198 RGTPAJRSWIMXKS-SJORKVTESA-N 263.469 4.765 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1sccc1C 1888681563 GARJUZVVSKANHR-MRXNPFEDSA-N 271.429 4.811 30 10 CJEE CC=Cc1ccccc1OCC1(CS)CCCC1 1906645322 AHQYAALZNSCYPE-UHFFFAOYSA-N 262.418 4.589 30 10 CJEE N#C[C@]1(Nc2ccccc2F)CCC2(CCCCC2)C1 1915880169 MVPUZKBCSPINMS-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE C=CCC[C@@H](O)c1ccc(-c2ccccc2F)s1 1919639068 JPOPLFIGVKRSBC-CYBMUJFWSA-N 262.349 4.554 30 10 CJEE CC[C@H](C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047824 FCHRHCQSLAJFJN-MEBBXXQBSA-N 291.803 4.652 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC1(C)CCC1)NCC 1921132780 RUGFQIJOWYUGJP-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](C)CCCC 1922112851 ORGZGKALEKNSBW-VQIMIIECSA-N 289.463 4.564 30 10 CJEE C=C(C)CC[C@H](C)n1c(S)nc2cccc(Cl)c21 1925014735 IQHZVFZIXUEAOB-JTQLQIEISA-N 280.824 4.896 30 10 CJEE C=C(COCc1ccccc1)[C@@](C)(N)CCCCCCC 1933944276 HRRQEWJXDKIHOV-IBGZPJMESA-N 289.463 4.837 30 10 CJEE CCC(C)(C)CCC1(C#N)C[C@@H]2CC[C@H](C1)S2 1942142124 IENVTYXSAIQUJX-NNQSOWQGSA-N 251.439 4.771 30 10 CJEE C=C1CC(CN[C@H](C)c2ccc(Cl)cc2Cl)C1 1942513117 ZTRGHLDEOXSOOP-SNVBAGLBSA-N 270.203 4.610 30 10 CJEE N#Cc1cc(NCc2cccc3ccoc23)ccc1Cl 1968474433 ZSQONOICGXKSJU-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE N#Cc1ccc(Cl)cc1N1CCCC2(CCCC2)CC1 1973009572 WARWUEKNYHKGSA-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(Cl)cs1 1976032775 AFFOWMRZCUSLPF-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE Cc1cc(Cl)c(Br)cc1C1=CCCCC1=O 1993800637 ZIMDYXKFBVZOSA-UHFFFAOYSA-N 299.595 4.547 30 10 CJEE C=CCCCCCCOc1cccc(Br)c1 1995176367 JKNDQGHIMHXSIW-UHFFFAOYSA-N 283.209 4.964 30 10 CJEE C=CCC[C@H](C)C(=O)Cc1ccc(Cl)cc1Cl 1996470112 KZTJWZHUAUOVBV-JTQLQIEISA-N 271.187 4.707 30 10 CJEE CCC(C#N)(CC)CCOc1cccc(Br)c1 2000514226 LPMRCNRRDZWBRA-UHFFFAOYSA-N 296.208 4.548 30 10 CJEE C=CCCC(C)(C)CNCc1snc(Cl)c1Cl 2002143987 NDQFXSAJCHABMR-UHFFFAOYSA-N 293.263 4.532 30 10 CJEE CCCCC(C)(C)Nc1cccc(Br)c1C#N 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CJEE C=CCC(CC=C)N[C@H](C)c1ccccc1C(F)(F)F 2360212676 JSZMOFDUSBEFHE-GFCCVEGCSA-N 283.337 4.877 30 10 CJEE C=CCC(CC=C)O[C@@H](c1ccc(Cl)cc1)[C@H](N)CC 2360214090 DJKKEBHAOBYFTI-SJORKVTESA-N 293.838 4.656 30 10 CJEE C=CCC(CC=C)Sc1ccncc1[C@@H](C)NCCC 2360374387 ISSJYYYOBSEVMO-CQSZACIVSA-N 290.476 4.755 30 10 CJEE C=CCC[C@@H](C)N(C)c1ccc(C)c(Cl)c1CNCC 2360537036 BICAWBQXRDRMQT-CQSZACIVSA-N 294.870 4.549 30 10 CJEE CCCC[C@@H](CC)COc1c(C#N)cnc2ccccc12 36913449 PXFBHVMGBXOKMY-CQSZACIVSA-N 282.387 4.702 30 10 CJEE C=CCOc1ccccc1CNc1ccccc1CCC 37282253 JAWRWYWDFJRKNY-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE CC[C@@H](C)C[C@@](C#N)(CC)Nc1ccccc1Cl 37938138 HAEFERUFEYVBBJ-IUODEOHRSA-N 264.800 4.860 30 10 CJEE Cc1cc(C)cc(OCCC[C@@H](C#N)c2ccc(F)cc2)c1 57685616 UNWBVUAOEFTUDV-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1cc(C)cc(OCC[C@H](C#N)c2cc(C)ccc2C)c1 57695460 HTWKBHIQUXSMHW-GOSISDBHSA-N 293.410 4.997 30 10 CJEE CCC(CC)c1nc2cc(C)c(C)cc2n1C[C@@H](C)C#N 57801505 YLQJYWIQYUPUGO-LBPRGKRZSA-N 283.419 4.716 30 10 CJEE Cc1sc(-c2ccc(C(C)C)cc2)cc1CC#N 77093703 VUSRNZAFJKETMY-UHFFFAOYSA-N 255.386 4.913 30 10 CJEE C=CCCCn1cc(CCNC(C)(C)C)c2ccccc21 80062187 NMXGWJOYVXBXMD-UHFFFAOYSA-N 284.447 4.538 30 10 CJEE CCCOc1ccc(/C=N/Nc2ccccc2)cc1Cl 82251793 KRQDDYZGDJGAEZ-LDADJPATSA-N 288.778 4.575 30 10 CJEE CC(C)[C@@H](CS)COc1cc(Cl)ccc1Cl 87078047 LRVWQNWCNLEBKP-SECBINFHSA-N 279.232 4.574 30 10 CJEE Cc1ccc(OCCC(C)(C)C#N)c(C(C)(C)C)c1 87595909 QOSCUPBQBPJUPV-UHFFFAOYSA-N 259.393 4.611 30 10 CJEE C=CCCC[C@@H](NCCC)C(CC)(CC)N(CC)CC 91634144 MWJHGSKKRHCBGU-QGZVFWFLSA-N 282.516 4.612 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 91884088 NAMBCGAMDAKBTG-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CCCCCC(C)(C)CN[C@@H](C)c1cccc(C#N)c1 94984476 NEEGXBZXZHGCHA-HNNXBMFYSA-N 272.436 4.815 30 10 CJEE C[C@@H]1CCN(CCCCCCCCCS)[C@H](C)C1 97799085 SUCPHYGGUKIFDP-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE CCCCCCCOCc1cc(C(C)=O)ccc1OCC 103018957 HJWAPFNQCXQRRE-UHFFFAOYSA-N 292.419 4.775 30 10 CJEE CCCCCCC#CCN1CCCC[C@@H]1c1cccnc1 105015624 SNZLEGRSQZFEKW-LJQANCHMSA-N 284.447 4.582 30 10 CJEE C#CC[C@@H](C)c1ccc(Oc2ccccc2)cc1C 107617529 HQNCYGBXBMKMOB-CQSZACIVSA-N 250.341 4.914 30 10 CJEE CCCCCCCCCCCCN(CC)C1CCNCC1 109687724 MVEXZNQXUVLPNL-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@H](C)CN 110106384 OTGMNPBKJJBDCZ-GOSISDBHSA-N 284.532 4.824 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1[C@@H](C)CC 114348881 HWVYWEFMIVROHS-GBESFXJTSA-N 296.543 4.691 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1c(F)cccc1Cl 122250186 FLICMFPOBPZUTF-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCSc1cccc(N[C@H](C)CC(C)C)c1C#N 128323624 NZVRICZFZRLJFB-GFCCVEGCSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCCNCCCCCC(=O)OCC 129349217 MSYFICNPLFKDOJ-UHFFFAOYSA-N 299.499 4.840 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](OCC)C1CCCCC1 131118373 KWOGEWHKDHSCSS-ZWKOTPCHSA-N 298.515 4.554 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)OC)NCCC 134490116 QFBUKWYCDCZHDV-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCCN1CCCN(C)CC1 137487792 NORPCLKJVUVNGF-UHFFFAOYSA-N 282.516 4.545 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(F)cc(F)c1 148272917 GMBJIHDMKUXGLA-MRXNPFEDSA-N 270.363 4.923 30 10 CJEE Cc1cc(Nc2ccc3sccc3c2)c(C#N)c(C)n1 156586402 JPGDJIZXKPEJPQ-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE N#CC1([C@@H](O)c2cc3ccccc3o2)CCCCCCC1 156809505 PVGCSQJKQXEBNH-KRWDZBQOSA-N 283.371 4.720 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cscn1 158590301 WNKHMQOVWSWCCP-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCCn1c(S)nc2c(F)cc(F)cc21 159401219 UTBSDYDYTLTHPI-UHFFFAOYSA-N 298.402 4.964 30 10 CJEE CCCCCCCCCCC[C@@H](NN)[C@@H](C)CC 159833607 RLQCOAODGRNZOY-JKSUJKDBSA-N 256.478 4.785 30 10 CJEE C#Cc1cccc(NCc2c(Cl)oc3ccccc23)c1 164428703 YBGUUHIDNYLQIZ-UHFFFAOYSA-N 281.742 4.680 30 10 CJEE CCCCC[C@@H](NCc1ccc(C#N)o1)c1ccccc1 174344461 JKTOWDAMERKKKS-GOSISDBHSA-N 282.387 4.562 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(C(C)C)cc2)C1 218351124 PSIUWQMNEHAWGG-JLSDUUJJSA-N 271.404 4.563 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H]1CCC[C@@H](C)C1 218545201 LWCBDSVBEPJESY-KURKYZTESA-N 282.516 4.575 30 10 CJEE N#Cc1ccc(Oc2nc(Cl)c(Cl)cc2Cl)cc1 226483697 HAWZGXKSRGWZPB-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C=CCCCCCC(=O)Cc1ccccc1Br 232486555 CLWNLSNYYVKKHF-UHFFFAOYSA-N 295.220 4.697 30 10 CJEE CCCCCC(C)(C)CNc1ccc(C)cc1C#N 232930060 XSNBKVGLMPQWLC-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC[C@@H]1N 232949458 YWEONYHISNQHML-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1O 250800450 CKOIMAWZQAQUQU-BRWVUGGUSA-N 284.484 4.939 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](C(C)(C)C)CC2)C1 251498497 DNUIUOBTOCKZER-BRSBDYLESA-N 290.495 4.853 30 10 CJEE Cc1ccc(N=Cc2cc3cc(C)ccc3nc2O)c(C)c1 254301643 XVTAKWHGZPGZKY-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE CC[C@@H](C#N)c1ncc(-c2cc(C(C)C)ccc2C)[nH]1 259178697 VVOMLOSOXJEAMN-ZDUSSCGKSA-N 267.376 4.526 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1Cl 307673763 BHKJINPPQJYSPW-KTKRTIGZSA-N 296.578 4.514 30 10 CJEE CCCCCCCCNc1ccnc(C)c1Cl 310536167 PHSLFLYXAUQYJM-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CC[C@H]1CCC[C@H](C2(C#N)Cc3ccccc3C2)C1 311347494 CPTGHUCDNIYBAK-YOEHRIQHSA-N 253.389 4.512 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1c(F)cccc1Cl 311679313 IYTZNQPVDMMXRG-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCOC[C@H](NCCC)C(C)(C)CC 312117957 RWGIVOSAYQGYKX-INIZCTEOSA-N 271.489 4.778 30 10 CJEE CCC[C@](C#N)(Nc1ccc(C)cc1)C1CCCC1 313411291 PSANAWAJMOWSCB-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)CCCO1 315755631 SEXTZBNNCKCNAQ-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE C=C[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@H](CC)C1 317774340 CXMYBVRJGRNZHU-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@]1(CNCCOC)CCCC[C@H]1C 318771184 WIVYSHDAZQOEFA-MSOLQXFVSA-N 281.484 4.555 30 10 CJEE CC(=NO)c1cc(C)ccc1OCCC1CCCCC1 379910205 PVFIMRYXOZYYPE-UHFFFAOYSA-N 275.392 4.542 30 10 CJEE Cc1ccc(C#Cc2ccc(Cl)cc2Cl)s1 383561500 TXHVSYAWZSPUPG-UHFFFAOYSA-N 267.180 4.763 30 10 CJEE C=CC[C@@H](CNCCC)C[C@H](C)C1CCCCC1 386525762 AEYPANINJRWVIY-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 388525266 VMGJOTXGTAWOJB-HSFUPAIVSA-N 261.453 4.537 30 10 CJEE CC(C)(C)c1ccccc1N=C1N[C@H](C(C)(C)C)CS1 393985829 VJDRHHQGXXGOBN-AWEZNQCLSA-N 290.476 4.723 30 10 CJEE CC(C)C[C@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)C1 396621061 AVOYSFZGSKUBRR-FQZGENGWSA-N 278.245 4.781 30 10 CJEE N#C[C@H](CNc1cc(F)cc(Cl)c1)C1CCCCC1 397160868 VFGMFRBFYKIPJP-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC(F)(F)c1ccccc1 400615318 KFZVGUSLAZWGTN-CQSZACIVSA-N 281.390 4.749 30 10 CJEE CCCCCCCCCCCCN[C@H]1CO[C@H](C)C1 402047581 NWHMNFHATLKSLB-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCNC[C@H](CC)CC(F)(F)F 402553026 GVJIBNCPPQLBFX-CYBMUJFWSA-N 267.379 4.915 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](C)CC(F)(F)F 402903742 RNBSYSBRVJUFDE-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)c1ccccc1 405687646 MCGORQNDOXBOJO-WMZOPIPTSA-N 276.468 4.763 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)c1ccsc1 410350036 ACPGGCGVUSQKCI-ZDUSSCGKSA-N 285.412 4.609 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CCC)[C@@H]1CCc2ccccc21 464533941 JLSWREJIQYRHSS-CRAIPNDOSA-N 285.431 4.515 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H](C)C1 476166115 VXASBGLQJXEFRD-GOEBONIOSA-N 285.431 4.913 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc2cc[nH]c12 504283310 AQCUTXIWJURJQB-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(=C/C)CC 588574394 DUQCUYXRXDQLLH-VGOFMYFVSA-N 271.404 4.833 30 10 CJEE C#CCCCCC[C@@H](N)c1cc2sccc2s1 686694953 TVIBQAWHPHCZEE-LLVKDONJSA-N 263.431 4.546 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1ncc(C#N)cc1C 690365081 IHSBOYLPBJPIMY-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC(CC)(CC)C2)C1 690554623 YTYONAMZDCQGQP-IXDOHACOSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CCCCC[C@@]1(C#N)Nc1ccccc1Cl 691108121 WZWPTVWSWGFSDH-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(C)cc21 692215700 RVDGSABMEJKULI-NZSAHSFTSA-N 269.432 4.707 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)cc1Cl 692216046 VIMCFLYJPVNHMF-FZMZJTMJSA-N 293.794 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 692217612 AZTRUJQFMJQZOA-WJSCBVJRSA-N 273.464 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(C(F)F)c1 692235011 NWWSHPNXVKBWFO-GDBMZVCRSA-N 279.374 4.849 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H](C)C1CCC1 692270031 PALKXNBZNDPNDI-HNNXBMFYSA-N 285.541 4.871 30 10 CJEE CCCCCCC[C@H](N)CCCOC1CCCCC1 699798432 HXUVVXCFTVMEFV-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](N)C1CCC1 702308133 BXEBLTJYBUDHOB-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc(C(C)=O)c(Cl)c2)C1 703623481 NHBFIHYBYDLMEM-AWEZNQCLSA-N 291.822 4.725 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1cccc(Cl)c1F 704937482 VNKBKDGXFSACTB-WZRBSPASSA-N 265.759 4.913 30 10 CJEE C=CCCC[C@H](N)c1ccc(Cl)cc1C(F)(F)F 712555732 AECBVPZXBGNBJA-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1C[C@@H]1C1CC1 712952826 GNMUWXMHJRHULX-IXDOHACOSA-N 251.458 4.891 30 10 CJEE C=CCCC[C@@H](C[C@H]1CCCC1(F)F)NCCC 713953271 VTECKMPWFNPSQG-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C)[C@@H](CCc1ccccc1C)NCCC 715793628 IBDCZTPXPZASSW-FUHWJXTLSA-N 259.437 4.508 30 10 CJEE C=CC[C@H](C)[C@@H](CCc1cccc(C)c1)NCCC 715800751 UMFPCYBLIJTEDQ-FUHWJXTLSA-N 259.437 4.508 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2sc(C)cc2C)CC1 719472720 MRENMDIFOJWVBU-OGVSOVDVSA-N 277.433 4.509 30 10 CJEE Cc1cccc(C)c1C#Cc1ccc(OC(F)(F)F)cc1 725441673 VVNDHCJNJVWESG-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1127672673 MRLIRLIAUVIMOJ-QUCCMNQESA-N 299.458 4.906 30 10 CJEE C=CC[C@H](C(=O)NCC(C)(C)C(C)(C)C)c1ccccc1 1129346096 YTSRDANAGPBWQI-INIZCTEOSA-N 287.447 4.535 30 10 CJEE C=C1CCN(Cc2c(C)ccc3cc(C)ccc23)CC1 1167329883 NZLPICXZBMDDPK-UHFFFAOYSA-N 265.400 4.609 30 10 CJEE C=CCn1cc2ccc(NC[C@@H]3CCC[C@@H](CC)C3)cc2n1 1179662354 JEOBTGIKYGKKGI-HZPDHXFCSA-N 297.446 4.851 30 10 CJEE C=C(C)CCNC1(c2ccc(C(F)(F)F)cc2)CCC1 1196323459 VSRXORPYWVVSQC-UHFFFAOYSA-N 283.337 4.640 30 10 CJEE CCCCCCCCN1CCC[C@@H]1c1nccs1 1201840373 VLQNZOYNSVNYNK-CQSZACIVSA-N 266.454 4.641 30 10 CJEE C=CCC[C@H](C)NC[C@H]1CCCC[C@@H]1c1ccccc1 1205832605 RXBRHOSFKBZQIU-QXAKKESOSA-N 271.448 4.905 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 1226023973 OJALJJCXJBDHIU-BRWVUGGUSA-N 294.483 4.637 30 10 CJEE C#CCCCCCC(=O)N1CCCC(C)(C)c2ccccc21 1266834812 DPTCUQKKOYRTEB-UHFFFAOYSA-N 297.442 4.675 30 10 CJEE CC#CCCCC(=O)N(c1cccc(C)c1)C(CC)CC 1271404899 OPBDPNHTGSBPBU-UHFFFAOYSA-N 285.431 4.710 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 1292861501 WBLZLBUJIGJZOK-RTBURBONSA-N 299.458 4.506 30 10 CJEE C=C(CC)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 1298466515 FPZPZVWUFCFNAZ-UHFFFAOYSA-N 281.396 4.621 30 10 CJEE C#CCCCCCCNC(C)(C)c1ccc(Cl)cc1 1307765101 HSFCKOGZGWYBPH-UHFFFAOYSA-N 277.839 4.748 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 1308382843 BXSJOPSQMRPDHT-PLYYQAHHSA-N 289.850 4.920 30 10 CJEE C#C[C@H](N[C@H](C)CCCCCC)c1ccc(Cl)cc1 1308797307 XBJYAHUTVPEPPV-PBHICJAKSA-N 277.839 4.963 30 10 CJEE C=CCCC1(CN[C@H](C)Cc2cccc(F)c2)CCCC1 1308858904 XENBZHHWIOTKLY-MRXNPFEDSA-N 289.438 4.873 30 10 CJEE C=CCC1(C(=O)N2CCCC3(CCCCC3)CC2)CCC1 1435905104 AHHJPMOBNZBNNG-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE C=CCC1(CNC(=O)c2oc3ccccc3c2C)CCCC1 1436233575 IYZGWHOTZNLEMZ-UHFFFAOYSA-N 297.398 4.608 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](CC)[C@@H]1CC1(C)C)c1ccccc1 1436879191 GHAPACPCIMCUTO-OKZBNKHCSA-N 299.458 4.677 30 10 CJEE C=CCN(CC1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1 1459477292 CLWRKJOWOAYVBI-MOPGFXCFSA-N 287.422 4.750 30 10 CJEE C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1459710300 ZQDUHGYEOHVMQH-XHSDSOJGSA-N 279.468 4.557 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@H]1CCC2(CCC2)O1 1462603162 KFLHNGJYHGTSGK-DLBZAZTESA-N 279.468 4.593 30 10 CJEE C=C(C)c1cccc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 1462642264 DTLFJAYMQYLCTP-IRXDYDNUSA-N 273.420 4.725 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@H](C(C)C)CC1 1470101567 MGCHYFIMBZQRMU-KRWDZBQOSA-N 294.483 4.591 30 10 CJEE C#CCCCCCC(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1525031675 ZQWQVMXCXOOOIW-IRXDYDNUSA-N 291.479 4.539 30 10 CJEE C=C[C@H](CC(=O)NCC(C)(C)C(C)(C)C)c1ccccc1 1534184059 WJNKBKMHCHNEEK-OAHLLOKOSA-N 287.447 4.535 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCC=C2 1538889973 HPRSDSIAPAOYGK-VQIMIIECSA-N 295.426 4.511 30 10 CJEE C=CCCCCN1C[C@@H](C(C)(C)C)c2ccccc21 1559797075 GAKBFZSNLUCLJS-MRXNPFEDSA-N 257.421 4.993 30 10 CJEE C=C1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 1562303333 YYTBTPCQJNYTBW-UHFFFAOYSA-N 298.411 4.599 30 10 CJEE C=CCC1(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)CCCC1 1583366466 RIBIXRVIZRPTIO-KRWDZBQOSA-N 297.442 4.733 30 10 CJEE C=CCCC1(CNC(=O)c2cccc(C)c2C)CCCC1 1587240107 UZWYPMLZWULCKS-UHFFFAOYSA-N 285.431 4.560 30 10 CJEE C=C(C)CCN[C@H](Cc1cccc(Cl)c1)CC(C)C 1621344911 BGUVYAWALUVDNN-KRWDZBQOSA-N 279.855 4.853 30 10 CJEE Cc1cc(Cl)cc(C#N)c1OC[C@@H]1CCCCC1(F)F 1644017513 BFFLWOSXFITGGT-LBPRGKRZSA-N 299.748 4.724 30 10 CJEE C=CCCCN(CC)[C@@H]1CCc2c(Cl)cccc21 1648543880 AQYFWIYKLDOISY-MRXNPFEDSA-N 263.812 4.615 30 10 CJEE C=CCOc1cccc(CNCC[C@@H](C)c2ccccc2)c1 1651011134 JZPIRDIYAQVEOT-QGZVFWFLSA-N 295.426 4.535 30 10 CJEE C=C(C)CN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 1654265238 NIAGNBWZMGMRQQ-QGZVFWFLSA-N 259.437 4.847 30 10 CJEE C=C(C)COc1cccc(NCc2cccc(CC)c2)c1 1655839476 NGQBZBWQZUNNJW-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE C=CC[C@@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 1658631803 PKGVAOOPNGMVNL-UONOGXRCSA-N 297.364 4.707 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C1CCC1)C1CC1 1670659261 MOTCWEUJDFYSRG-GOSISDBHSA-N 298.430 4.505 30 10 CJEE CC(C)C1CCC(C=O)(CC[C@H](C)C(F)(F)F)CC1 1876136112 YSWKGHHCUIBSBQ-HSBZDZAISA-N 278.358 4.997 30 10 CJEE C#CCCCCCN1CCC[C@H]1C1CCCCCC1 1876804237 DWNGRQRRSVDBAZ-SFHVURJKSA-N 261.453 4.615 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@@H](C)C1 1880995664 QIYGXWYSRSLHRE-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE CCCCCCCCN(C)[C@H](C)C(F)(F)C(F)(F)F 1883318865 CMMBTBHMDOTAAG-LLVKDONJSA-N 289.332 4.865 30 10 CJEE C=CC1CC(Nc2ccccc2OCc2ccccc2)C1 1885804036 YAKUZXSAFPRPTG-UHFFFAOYSA-N 279.383 4.642 30 10 CJEE C#CC[C@H](C[C@@H](O)c1cc2sc(C)cc2s1)C1CC1 1887104255 XWFVOFCXTBHYTE-CHWSQXEVSA-N 290.453 4.744 30 10 CJEE CCCCCCCN(C)c1ccc([C@H](C)N)cc1Cl 1887130191 UADICVKVPFYVCH-ZDUSSCGKSA-N 282.859 4.766 30 10 CJEE C#CC[C@H](C[C@H](NCC)c1scc(C)c1Cl)C1CC1 1887490505 VAOURXAQLSVIPF-KGLIPLIRSA-N 295.879 4.800 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 1888354388 BBXWPOMEKIZCRA-RLLQIKCJSA-N 281.443 4.667 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(CC)ccn1 1912382746 KZGVFNRQMXXOPE-INIZCTEOSA-N 262.441 4.785 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@@H](O)CC 1914555987 BERQKEYIAJABCG-FQEVSTJZSA-N 295.426 4.713 30 10 CJEE CCCCCCCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1N 1916021760 JWEIGNAROMPRTB-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE CCCCCCC[S@](=N)(=O)[C@@H]1CCC[C@H](C)C1 1917904869 CJYDWWBPXUCYQO-VBQJREDUSA-N 259.459 4.582 30 10 CJEE CCCCCCCC(=O)[C@](O)(CC)c1cccc(Cl)c1 1919423746 AACWPHHYVUKOEL-KRWDZBQOSA-N 296.838 4.867 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1ccccc1OC 1920490804 UBOWFHBTEVZOBN-SFHVURJKSA-N 277.452 4.706 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@H](C)CC(C)C)NC 1920808497 CIWFNZHBBVPLOX-KURKYZTESA-N 285.516 4.758 30 10 CJEE C(#CC1CCCCC1)Cn1ccnc1C1CCCCC1 1923566296 WLRCLLCYJLQDDY-UHFFFAOYSA-N 270.420 4.515 30 10 CJEE CCCCCCCCCCNC[C@@H]1OCCCC1(C)C 1923810822 PLLZEBGFDCAUDB-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C[C@H](N=C1N[C@@H](CC2CCCC2)CS1)C1CCCCC1 1926668618 MYCWPXNYOKKZGQ-BBRMVZONSA-N 294.508 4.597 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)c1c(C)cccc1C#N 1927741677 AEPMRBGYLGHPQV-MRXNPFEDSA-N 278.399 4.672 30 10 CJEE C=C(Cl)C[C@H](NCC)c1scc(Cl)c1Cl 1932298297 SXEWNUIRSOWLHE-QMMMGPOBSA-N 284.639 4.848 30 10 CJEE C=CC(C)(C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 1936195658 HNXIGGCKIZEWHL-VIFPVBQESA-N 258.192 4.609 30 10 CJEE C=CCC[C@H](C)c1cc(Br)ccc1F 1955219236 BWSMZNRJVGDYFC-VIFPVBQESA-N 257.146 4.658 30 10 CJEE C=CCCCC[C@H](O)c1cc(Cl)sc1Cl 1975361682 BLANJWHEJPSEMM-VIFPVBQESA-N 265.205 4.835 30 10 CJEE CCC#CC[C@@H](NCC)c1cc(Cl)c(Cl)s1 1982014594 PGSVDKOURWMHAB-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C=CCCCCCCC(=O)c1ccoc1Br 1995170718 GWJBGPAWQLJUKT-UHFFFAOYSA-N 285.181 4.751 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc(Cl)sc1C 2000358319 CWFFNTXDRVYBCA-CYBMUJFWSA-N 269.841 4.554 30 10 CJEE C=C(C)CC[C@H](NCCC)C(C)(C)C1CCCC1 2032305493 IJHMADVQYBBWAL-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCC(C)(C)C(F)(F)F)C1 2033003542 YLDXHKNYGDBZOS-WCQYABFASA-N 264.331 4.751 30 10 CJEE C=C([C@@H](N)c1cc2c(s1)CCCCC2)C(C)(C)C 2035416547 DUVFVUPFAHUXSJ-OAHLLOKOSA-N 263.450 4.619 30 10 CJEE C=C([C@@H](NCCC)C(C)(C)C1CCC1)C(C)(C)C 2035419279 OFHZNGQNXJFOGI-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2C[C@H](F)C2)C1 2035681911 NMDLEXIYLNVXBT-JOCQHMNTSA-N 251.389 4.871 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@]1(CC)CC1(F)F 2036145807 OFGHWUVXXMSTBE-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@@H](N)C1CC(C(F)(F)F)C1 2037031796 GHDVGIZGYCYIMW-WXRRBKDZSA-N 265.363 4.653 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1CCC(F)(F)C1 2037038129 BJCGBMJXYVBEFL-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE C=C1CCC(C[C@H](NCC)C(C)(C)CCC)CC1 2040726446 TZEMMOAACFKDIK-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCN[C@H]1CCC[C@@H](C(C)C)CC1 2041494720 LIBIYZLXMZINKL-SJORKVTESA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cc(C(F)(F)F)cs1 2043049203 LBKDSJYWRCPOJP-SKDRFNHKSA-N 273.323 4.639 30 10 CJEE C=CCC[C@@H](NC)c1cccc(SC(F)(F)F)c1 2045691792 AQIZUQZMEYGGSX-GFCCVEGCSA-N 275.339 4.525 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(CSC)cc1 2045819081 SOIVNAADVOOKRH-MRXNPFEDSA-N 263.450 4.557 30 10 CJEE C=C1CCC(C[C@@](C)(CCC)CNCCC)CC1 2045999487 DQZZXDSVVODXLO-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCCC(C)(C)C1 2049495617 MJUWIJBQFUCNIX-INIZCTEOSA-N 271.876 4.961 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1cnc(C(C)C)s1 2051204548 ULIOANVOIDDQDD-TZMCWYRMSA-N 266.454 4.519 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cnc(C(C)C)s2)C1 2052785541 KUOFGXWGHIJYRQ-DOMZBBRYSA-N 262.422 4.529 30 10 CJEE C=CCCCC[C@H](NCC)c1ccc(F)cc1Cl 2059111534 LIZXGDPLQHMXSS-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1CCC(C)(C)C1 2059118867 JTRBXFBZMBUIIT-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCN=C1CC(C)(C)CN1 2061498142 UIHFPWBTYHCDDV-UHFFFAOYSA-N 252.446 4.545 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@@H]2CC[C@@H]2C1 2068727612 HSIQHHGYNZTSBF-OSYLJGHBSA-N 251.458 4.763 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2C[C@@H]1C2 2069226296 LZADXODDOHXHOZ-HZSPNIEDSA-N 259.418 4.565 30 10 CJEE CCCCCCCCC(=O)C[C@@]1(C)CCCOC1 2072739104 VLDLPZHSLYUOHV-MRXNPFEDSA-N 254.414 4.513 30 10 CJEE C=CCCCCCN(C)CC1CCC(CC)CC1 2075113498 AZARATFKMDIOGC-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE CCCCCCCN(C)C[C@H](CC)CC(F)(F)F 2075935488 RMHWWGQNEKJNFL-CYBMUJFWSA-N 267.379 4.867 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CC[C@@H](CC)O1 2081656840 DTIAJFBJAOLIEB-GDBMZVCRSA-N 254.414 4.654 30 10 CJEE CCCCC#CC[C@H](NCCC)c1ccsc1C 2083408157 MULPKJLCPRDFRM-INIZCTEOSA-N 263.450 4.681 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1CCCSCC1 2085839345 NFJGYDVRGPGURO-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc2c(s1)CCC2 2085853439 BZNAESOKVAXYIO-CQSZACIVSA-N 263.450 4.763 30 10 CJEE C#CCCC[C@@H](CC[C@H](C)CCCC)NCCC 2085942138 YBUWXDFLZDJDMJ-SJORKVTESA-N 251.458 4.765 30 10 CJEE CCc1ccccc1CC1(C=O)CCCCCCC1 2087704927 LNFFDZMCTFYKAT-UHFFFAOYSA-N 258.405 4.721 30 10 CJEE CCOc1ccc([C@@H](C#N)[C@H](C)CCC(C)C)cc1 2090309310 YPQRQMRPEIYDDC-PBHICJAKSA-N 259.393 4.765 30 10 CJEE CCCCCCCCCCCCO[C@H]1CNC[C@@H]1C 2090689125 NEGPWULVTPVOHM-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NC)[C@H](C)CCC 2091268139 QYEDPQSGNFBLOM-IXDOHACOSA-N 271.489 4.512 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](N)CC#CC2CCCCC2)C1 2093456324 AZKRGPQNSWVCCF-NJAFHUGGSA-N 261.453 4.504 30 10 CJEE CSc1ccccc1CNc1ccc(C#N)cc1Cl 2096432015 MDTQBVDQRNLXCB-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C=C([C@H](NCC)c1c(C)cc(C)cc1C)C(C)(C)C 2096626014 WMSGMMREPFNCIK-KRWDZBQOSA-N 259.437 4.865 30 10 CJEE Cc1cc([C@H](O)[C@]2(C#N)CCCC(C)(C)CC2)cs1 2100880287 OTSZGTTWYFNGID-GOEBONIOSA-N 277.433 4.590 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1 2100880343 PFWZMKYVGWVZCI-LISAXSMJSA-N 262.437 4.988 30 10 CJEE Cc1ccc(N[C@](C)(C#N)C2CCC(C)CC2)cc1 2102275604 BFQBEUCBYCJAPV-PUJMQQBBSA-N 256.393 4.516 30 10 CJEE CCCC(C)(C)[C@H](CC#CC1CCCCC1)NCC 2102328060 SESHIJQHHSVPPB-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1C[C@@H]2CCCC[C@@H]2O1 2108190486 DLPOCAMSTIWMBJ-LUKYLMHMSA-N 266.425 4.510 30 10 CJEE CCCC[C@H](C)c1nc(-c2cccc(C#N)c2)cs1 2108212618 CUXNXWYWRBEIOH-LBPRGKRZSA-N 270.401 4.975 30 10 CJEE C=CC1(C[C@H](C[C@@H]2CCC23CCC3)NCC)CCC1 2111717838 GPFAJUOIHCAADI-HOTGVXAUSA-N 261.453 4.681 30 10 CJEE C=CC1(CSc2ccc(CNC(C)C)cc2)CCC1 2111718292 JJBCWLBGGQBKOZ-UHFFFAOYSA-N 275.461 4.633 30 10 CJEE CCCc1nc(C[C@@]2(C#N)CCCC(C)(C)C2)cs1 2113526842 BUSKRXMWIFPACP-INIZCTEOSA-N 276.449 4.748 30 10 CJEE CC1(C)CCCC[C@]1(C#N)CC1CC2(C1)CC2(F)F 2117010357 JQUWVCRLOWBCEF-HNFVBEJKSA-N 267.363 4.922 30 10 CJEE CC1(C)CCCC[C@]1(C#N)c1nccc2ccsc12 2117022249 DGNRBBCUSJOWNV-INIZCTEOSA-N 270.401 4.658 30 10 CJEE CCCCCCC[C@@H](O)[C@]1(C#N)CCCCC1(C)C 2117025276 PYKZARULSOWERW-NVXWUHKLSA-N 265.441 4.818 30 10 CJEE C=C([C@H](NCC)c1ccc2sncc2c1)C(C)(C)C 2120668687 XSRDUHOPSWWRSJ-HNNXBMFYSA-N 274.433 4.549 30 10 CJEE N[C@H](CC#CC1CCCCC1)c1cc(C(F)F)cs1 2120939722 VGTALVYDTYJTBR-CYBMUJFWSA-N 283.387 4.659 30 10 CJEE CCCCCCCCO[C@@H]1CC[C@@H](NCC)[C@@H]1CC 2122596693 CJOQQENJTFDIJR-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=C1CC([C@@H](Cc2cccc(Cl)c2C)NCCC)C1 2125661062 DSWMBXMDBVWEGX-QGZVFWFLSA-N 277.839 4.525 30 10 CJEE C=C1CC(C[C@H](NCCC)C2CCC(C)(C)CC2)C1 2125729367 RRNLSNYRRFHQAS-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE C=C(F)C[C@@H](NC)c1ccc(-c2ccccc2F)s1 2126111628 QVLGUAYCBBMMRF-CYBMUJFWSA-N 279.355 4.688 30 10 CJEE CCCCCCCCC[C@]1(CN)CCC[C@H](OC)C1 2126407550 DUPKNNKNNMIGBG-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCC1(C)CC(CNc2cc(Cl)c(F)cc2C#N)C1 2128012420 KAQHUDXYVGTHID-UHFFFAOYSA-N 280.774 4.589 30 10 CJEE CC(C)(CCC1(C=O)CCC(F)(F)CC1)C(F)(F)F 2128471733 TYHRWLLAHBEPKJ-UHFFFAOYSA-N 286.284 4.750 30 10 CJEE CCCCCCC[C@]1(N)c2ccccc2CC[C@H]1C 2129026335 RLTNINJBWIZKGE-CRAIPNDOSA-N 259.437 4.783 30 10 CJEE CC(C)(C)CC1CC(Nc2cc(C#N)ccc2Cl)C1 2131721024 KBMUAIIOBRKPFE-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CC1(C)CC[C@@]1(C#N)C[C@H]1CC12CCC(F)(F)CC2 2131989112 OPSLPSRLRWNQRN-DOMZBBRYSA-N 267.363 4.922 30 10 CJEE CCc1ccc(C#N)c(Nc2c(F)cccc2Cl)c1 2132322183 VFXKROIQQBPPTH-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)CCOC12CCCC2 2133786526 OOVXAXUCMGSQHT-GDBMZVCRSA-N 263.425 4.692 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]2c2ccccc2)CCC12CCC2 2135737362 DSGJNNLDCKWPQG-JFIYKMOQSA-N 251.373 4.654 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cc(F)c(Cl)c(F)c1 2136963903 KKRNROFNHWPCSR-YGRLFVJLSA-N 287.781 4.871 30 10 CJEE 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CCCCCCCCC[C@H](NC)c1ccn(C(C)C)n1 2153903349 TYYYCTQEOYWEAB-INIZCTEOSA-N 279.472 4.865 30 10 CJEE C[C@H]1CCO[C@H]1CCC1(C=O)CCC(C(C)(C)C)CC1 2157325343 DANFPBOZQXWVON-VUGNNNGISA-N 280.452 4.613 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc2c(c1)CCC2 2158329564 XLVBPTTZYFJYBR-KXBFYZLASA-N 271.448 4.818 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc2cc(C)ccc2o1 2158690021 UIHNGFHFGKTKJJ-GDBMZVCRSA-N 269.388 4.748 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](OC)c1ccccc1 2160479345 FVZREMFJIAUMFO-WMZOPIPTSA-N 277.452 4.713 30 10 CJEE C=C([C@@H](NCC)c1c(C)oc2ccccc12)C(F)(F)F 2164256196 XWVZGQDIDBNYHJ-CQSZACIVSA-N 283.293 4.510 30 10 CJEE CC1CCC(C=O)(C[C@H]2CC23CCC(F)(F)CC3)CC1 2165698595 UUSZPKXKMMJFNZ-SLTAFYQDSA-N 284.390 4.988 30 10 CJEE C=CC1(CN[C@H](C)c2oc3ccccc3c2C)CCC1 2167997577 FEXAJWPIMIXMKU-CQSZACIVSA-N 269.388 4.748 30 10 CJEE CCCC1CCC([C@](C)(C#N)N2CCCCCC2)CC1 2168507017 DQLILENQUCLXPU-ABHNRTSZSA-N 276.468 4.751 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2ccc3c(c2)CCC3)C1 2168517639 FVOIOKCWKPOCAK-IBGZPJMESA-N 270.416 4.503 30 10 CJEE CC1(C)CCC([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)CC1 2168547952 LHMLAKRCPKEWHQ-CRAIPNDOSA-N 277.452 4.674 30 10 CJEE CCC[C@](O)(C1CCCC1)[C@@]1(C#N)CCCC(C)(C)C1 2168556935 NHTPZOATNLJSRU-ROUUACIJSA-N 277.452 4.818 30 10 CJEE CC(C)c1nc(C[C@@]2(C=O)CCCC(C)(C)CC2)cs1 2169815522 RXUOEFBSYWZRSG-QGZVFWFLSA-N 293.476 4.985 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)c1cccnc1 2169942011 UYVZABXBCYOSND-HNNXBMFYSA-N 294.508 4.591 30 10 CJEE CCC1(CC)CCC(N(C)c2ccc(C#N)cc2)CC1 2171497965 QRTFAHYQKIDNRF-UHFFFAOYSA-N 270.420 4.743 30 10 CJEE CCC1(CC)CCC(N=C2N[C@@](C)(C(C)C)CS2)CC1 2171536544 CJPJDLXDFHLROS-MRXNPFEDSA-N 296.524 4.843 30 10 CJEE CCc1ncc(CC2(C=O)CC(C)(C)CC(C)(C)C2)s1 2172969390 QANAOUAXOHBYBD-UHFFFAOYSA-N 293.476 4.670 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@@](C)(O)CCCC(F)(F)F 2173649988 YGVCAVKQHBJFOQ-KBPBESRZSA-N 291.357 4.580 30 10 CJEE N#Cc1cc(F)c(NC[C@@H]2C[C@@H]3CCCC[C@H]32)cc1Cl 2177389554 RTCINNLEQGYTCH-WCFLWFBJSA-N 292.785 4.589 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1ccccc1-c1ccccc1 2179254580 MUKCMYCOXRTCLG-KXBFYZLASA-N 265.400 4.956 30 10 CJEE C#Cc1cccc(N(CC)[C@@H]2CCC3(CCCC3)C2)c1 2179351543 VBFLFBKZFSXSTA-GOSISDBHSA-N 267.416 4.607 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1Cc2ccccc2S1 2179682412 XACFHXNMTONJHD-FUHWJXTLSA-N 289.488 4.818 30 10 CJEE CC=CCCC[C@@H](NCCC)[C@@H](O)CCCCCCC 2179782867 NJBYFHAUFQCFEV-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@H](COC)C2)CC1 2181919463 BKDTXAYTMBPKKV-UMQBVGHOSA-N 280.452 4.615 30 10 CJEE C=CC[C@@](C)(NCCC=Cc1ccccc1)C(F)(F)F 2182190118 HSIFGLIZJQYDBM-OAHLLOKOSA-N 283.337 4.577 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)CCC[C@@H](OC)C1 2182794745 BWEBVHIYHTYUDK-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CO[C@H]1CCC[C@](C#N)(CC2CC3(C2)CC(C)(C)C3)C1 2183157857 DPXDNIXXRGOTDJ-RDJZCZTQSA-N 275.436 4.692 30 10 CJEE N#C[C@]1(CC23CCC(CC2)C3)CCCc2ccccc21 2184937736 KBGZGGBGDMKTQP-XUJQIHCRSA-N 265.400 4.755 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)C12CCC(CC1)CC2 2187468211 LWXMTZXJTFLMMZ-LXPRWKDFSA-N 291.555 4.596 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1C[C@@H]1OC)NC 2188195055 HXDKKKZHYBDOQZ-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)C(C)(C)CCF 2191361920 QNWCUXNYEBUMFV-QGZVFWFLSA-N 281.459 4.714 30 10 CJEE CC[C@H]1CC[C@H](CN(C)[C@H]2CCCCC[C@@H]2C#N)CC1 2192829668 SKHAXXGIMOQHOR-TVFCKZIOSA-N 276.468 4.607 30 10 CJEE C=C[C@]1(O)CCN(CCCCCCCCCCCC)C1 2195086251 RVPHIUSBWLANTL-SFHVURJKSA-N 281.484 4.530 30 10 CJEE CC#CCCCCC[C@@H](CNCCC)c1ccccc1 2196175374 XNLZPWHMDUGDTJ-IBGZPJMESA-N 271.448 4.744 30 10 CJEE C#CC[C@@H](C[C@@H](NC)c1csc2ccccc12)C1CC1 2196835259 AOYIMJBVXUOIRN-WMLDXEAASA-N 283.440 4.601 30 10 CJEE C#CC[C@H](C[C@H](NCC)[C@@H]1CCCC[C@H]1CC)C1CC1 2196850839 XOMGMKCXVXWHJG-OWYHZJEWSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1cc2ccccc2o1 2196855595 DIPCELRTIQDGPU-GOEBONIOSA-N 269.388 4.523 30 10 CJEE C=C(c1ccccc1)[C@@](O)(CC)c1ccc(CC)cc1 2197141597 GPXOMFOIYTUDRK-IBGZPJMESA-N 266.384 4.560 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1ccccc1C(C)(C)C 2197147768 CHGWLVCKCYFNRD-SFHVURJKSA-N 266.384 4.731 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C)c(C#N)c1 2199368144 SSZSOBDLCSAKAI-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE C=CC[C@](C)(NC[C@@H]1C[C@H]1C1CCCCC1)C(F)(F)F 2200316309 IUJANPVVAXVMKS-KKUMJFAQSA-N 289.385 4.690 30 10 CJEE CCCCCC#CC[C@H](O)[C@@H]1CCCC[C@@H]1C(F)(F)F 2203784895 IBKDHFSPFDQXEV-ILXRZTDVSA-N 290.369 4.690 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2203809940 KCZUJWYBZATVEX-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cccc(F)c1C 2203834756 SICXEFNIISXVGQ-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C=CCCCCCC[C@H](N)c1cc(C(C)(C)C)ccn1 2206889622 BUDBMRNWXKJZAS-INIZCTEOSA-N 274.452 4.906 30 10 CJEE C=CCCCCCCN(C)Cc1ccc(OC)c(C)c1 2206901067 YZTCBSZSVPVGIL-UHFFFAOYSA-N 275.436 4.572 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)C1CC(C)(C)C1 2207376293 WVPAGINTXMPLLG-KRWDZBQOSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@](O)(CC)C1CC1 2207376561 JRJJHXVTKJMYSB-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCN(C)C[C@@H]1CCCCO1 2207382627 UGGDBFQNJYRBEZ-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)C1(CC)CCC1 2207385807 QSBLZCBHPKPIHC-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCNC[C@]1(C)CCCCO1 2207414198 NRMCHVGHDIMPEO-SFHVURJKSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCCCO[C@]1(C=C)CCCNC1 2207415632 UCANIIRPRXVMHY-GOSISDBHSA-N 279.468 4.618 30 10 CJEE C=CCCCCCCCCCO[C@@H]1C[C@H](CN)C1(C)C 2207424560 GRMRHFPUSJWISG-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cnc(C)nc1 2207434646 GGOBFLREMFODJD-QGZVFWFLSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCCCN1CCC(=O)[C@H](CC)C1 2207439331 WDJBBFMJSPPMRV-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@@H]2CC[C@H](C1)O2 2207442048 NLRVUMNMWLYELY-BCDXTJNWSA-N 279.468 4.722 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1cc(Cl)ccc1C 2207448500 JXTHRZRHMNUILE-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE C=CCCCCCCCCCN[C@@H]1COC[C@@H]1CCC 2207450750 VPQMKQHTPZBUQH-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1ccc(N)c(C#N)c1C 2207491088 FHRDLJQLBCXSMJ-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE CCCCC[C@@H](C)Oc1ccc(C#N)c(Br)c1 2215135077 HFVQJTZILBNVBO-LLVKDONJSA-N 296.208 4.668 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccoc1CC 2220091466 GYGASJISRSYQPJ-OAHLLOKOSA-N 250.382 4.792 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]2C[C@H]2C1 2223828009 HPGOADQWVPFPPQ-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CC[C@@H]1NC(=NCCCCCCC2CC2)S[C@@H]1CC 2225812032 QURICWSQOFSJPS-LSDHHAIUSA-N 282.497 4.597 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cccc(NC)c1 2227281621 RXMKBGZQMIEXSQ-QGZVFWFLSA-N 261.409 4.678 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCc2ccoc21 2227288591 QEYSDOVQZLYZIK-KRWDZBQOSA-N 262.393 4.720 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1sc(C)c(C)c1C 2228580209 FGMVIZCLORLMEX-OAHLLOKOSA-N 277.477 4.764 30 10 CJEE CCCCCCCCCCOCc1ccc(F)nc1 2231027912 YGBLWVLFEOOGOM-UHFFFAOYSA-N 267.388 4.878 30 10 CJEE CCCCCCCOc1ccc(CN[C@@H](C)CC)s1 2231443202 FIIBLEVTDWPBFA-AWEZNQCLSA-N 283.481 4.985 30 10 CJEE C[C@@H]1C[C@@](C#N)(Cc2ccc(C3CC3)cc2)CCS1 2231692220 KSJGYEWZUVOREF-CXAGYDPISA-N 271.429 4.532 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C[C@H](C(F)F)C(C)(C)C 2233780963 DKEAKSYZJMOCAF-UONOGXRCSA-N 287.438 4.722 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(OC)c(C)c1 2235532277 IRMFGWHAHGHJIW-QGZVFWFLSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCC[C@H](CSC1CCCCC1)NN 2235537460 CAOAQJYZTGVDQP-MRXNPFEDSA-N 298.540 4.801 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCCCC1(C)C 2235541486 IPIUVBDBIUVLKH-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CC[C@@H](P(C)(C)=O)C1 2235541573 JMJGRRDAMRQFEL-DLBZAZTESA-N 299.439 4.989 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCOC12CCCC2 2235542431 SEQIQNWYYOIOCD-KRWDZBQOSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H]1CC[C@@H]1OC 2236141589 IXBPIVLPDFAYDS-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(N)CC#CC2CCCCC2)c1 2237892860 KXTJHLLXSATXIY-SFHVURJKSA-N 289.850 4.796 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCC[C@@H](C(C)(C)C)C1 2238160011 XGEGSOAIBZQEJN-HZPDHXFCSA-N 278.484 4.901 30 10 CJEE CC[C@@H]1NC(=N[C@@H]2CCC[C@H](C(C)(C)C)C2)S[C@@H]1CC 2238170868 QMUVOBQWRDBDKN-LJISPDSOSA-N 296.524 4.841 30 10 CJEE N#Cc1ccc(OCCCCCCCC2CC2)c(F)c1 2239345329 MUSZDAPWNTUDOD-UHFFFAOYSA-N 275.367 4.827 30 10 CJEE N#Cc1ncccc1CSCCCCCCCC1CC1 2239354894 MUGMHOCUBWIUJF-UHFFFAOYSA-N 288.460 4.937 30 10 CJEE CC1(C)CC(C)(C)CC(N)(C#Cc2cccc(Cl)c2)C1 2239473693 NELXBHYGFGTZGG-UHFFFAOYSA-N 289.850 4.625 30 10 CJEE CCCCCCCCCCCOC[C@@H](NC)C1(F)CC1 2239553828 DOMVKFVTBCQXPP-MRXNPFEDSA-N 287.463 4.624 30 10 CJEE CCCCCCCC[C@H](N)C#Cc1ccc(CC)cc1 2239735172 NJYDPMPANPAYKK-IBGZPJMESA-N 271.448 4.678 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1COC2(CCCC2)C1 2240639400 FAHJQFNBMZWJFY-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE C=C1C[C@@H]1Cc1cc(Br)cc(C(C)(C)C)c1 2245036673 PLVFJBHBUXYJSZ-GFCCVEGCSA-N 279.221 4.865 30 10 CJEE C=CCCSc1cc(CN[C@H](C)CC)sc1C 2250020990 IQYQCRYEOCXTBS-LLVKDONJSA-N 269.479 4.613 30 10 CJEE C=CCCCCCOc1ccc(OC)c(Br)c1 2252886426 CXUNRJNLLHRWSX-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE C[C@H]1CCC[C@@H](CCOc2ccc(C#N)cc2Cl)C1 2265037709 JUCRILYPBBPYBJ-STQMWFEESA-N 277.795 4.807 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC[C@@H]2CCC[C@@H](C)C2)C1 2265060474 MAMGJQNZVSPISO-TWMKSMIVSA-N 263.425 4.692 30 10 CJEE N#Cc1ccc(NCC2CC3(CCCC3)C2)cc1Cl 2265232223 DJVCKFCZSBPWHB-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE Cc1cc(Cl)cc([C@@H](N)CC=CC#CC(C)(C)C)c1 2268753233 UOFOBZYMQWEAQL-INIZCTEOSA-N 275.823 4.644 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1csc(C2CC2)c1 2268768815 YUKYUYYXQKTZSM-HNNXBMFYSA-N 273.445 4.621 30 10 CJEE C=CCCS[C@@H]1CCCCCCC(F)(F)[C@H]1NCC 2271584706 DMLQPMCPXFQJFX-KGLIPLIRSA-N 291.451 4.632 30 10 CJEE C=CCCSC[C@H](NC)c1ccc(C(C)(C)C)cc1 2271588156 YQEFXUZWWAAZNW-INIZCTEOSA-N 277.477 4.554 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(CC2CC2)c1 2274048810 MNLNQHLICKJAEY-RDTXWAMCSA-N 257.421 4.502 30 10 CJEE CCCCCCCC[C@@H](CC1(CC)CC1)OCCN 2276169253 XAMVFFSNDDLLCV-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H](C)C1CC1 2276631162 OAHCNKDLTCBQNV-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC=C1CCN[C@H](C(F)(F)F)C1 2277390126 KYBNBIISFLLQFP-AWEZNQCLSA-N 277.374 4.978 30 10 CJEE CCCCCCC[C@](C)(CCCC1CC1)OCCN 2277402970 WWOWJJRQBACXIM-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=C([C@@H](NCC)c1ccc2scnc2c1)C(C)(C)C 2278658066 IJZBXXGPJJEGBR-OAHLLOKOSA-N 274.433 4.549 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2scnc2c1 2278673191 RPZXLABXNVLABT-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C=CCCCCCC[C@H](NC)c1c(C)nn(CC)c1Cl 2281444986 LMECVUCLOXLQSH-AWEZNQCLSA-N 297.874 4.652 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1c(F)ccc(F)c1Cl 2284087940 CXUYAYDDVKEMHB-UHFFFAOYSA-N 296.744 4.797 30 10 CJEE CSCc1ccc([C@H](N)CC=CC#CC(C)(C)C)cc1 2284101629 VBFCLCFODNXOBR-QGZVFWFLSA-N 287.472 4.545 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C1CC(SC)C1 2284153806 RAGPRAYHPAPORT-OFLPRAFFSA-N 298.540 4.657 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc(C)cc2occc12 2284306907 YNDOUMGUWVICMY-DZGCQCFKSA-N 270.376 4.683 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccc(OC)c(C)c1C 2284522230 KKHDRBANGPRDIM-GUYCJALGSA-N 275.436 4.565 30 10 CJEE CC(C)=CCC[C@@H](C)CCOc1c(F)cccc1C#N 2284875102 OBGSSLWUNMWJRR-CQSZACIVSA-N 275.367 4.849 30 10 CJEE CO[C@@H](CS[C@H](CC#N)c1ccccc1)CC(C)(C)C 2287303863 YKKIXAPNQPCGNY-HZPDHXFCSA-N 291.460 4.826 30 10 CJEE C=C(C)CCCCOc1ccc([C@@H](C)NCC)cc1F 2287415009 SFNCFOFBPIVNHX-CQSZACIVSA-N 279.399 4.621 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](OCC)C(C)(C)C 2287468508 VODNNFOOZXRWCS-SJORKVTESA-N 283.500 4.942 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(C)cnn1 2288609726 QEHWIDSWEOMEGN-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)[C@@H]1C[C@H]1C 2290916591 AOORNHHEVPWXHZ-INMHGKMJSA-N 284.440 4.643 30 10 CJEE CC=CCCC[C@@H](CCCCCCC)OCCC(=O)O 2291486455 ZSONFMZHIGDPKV-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCC[C@@H](CC)C1 2291669592 IUNIWFMCBHVEPF-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)c1sccc1CC 2292720609 QTKMSQXPWCLOQB-CQSZACIVSA-N 296.432 4.589 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1ccc(Cl)cc1 2292764636 AVXUZMGMKXTEPE-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE C=CCCCCCCC[C@@](CCC)(OCCN)C(F)F 2293854236 FHIQSCVBMHEHEI-MRXNPFEDSA-N 291.426 4.682 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1ccccc1C 2294012447 MZSRIMBXDOEUTP-GOSISDBHSA-N 275.436 4.538 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCCCC12CCCC2 2294061016 ZWNAJNCMLPUFDN-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnn(C(F)F)c1 2295581230 OIJSZRJCCQAPDW-HNNXBMFYSA-N 288.382 4.626 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)[C@@H]1C[C@H]1C 2295677688 VHWDLFMDSMEDBE-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE Cc1ccc(C)c(C(=O)C=CC=Cc2ccccc2)c1 2297477404 YVEPOGQNSMGTEN-UHFFFAOYSA-N 262.352 4.756 30 10 CJEE C[C@H]1CC[C@H](CSC[C@@H](CS)C2CCC2)CC1 2298955174 NSXBJLOQRCFAMW-UMVBOHGHSA-N 272.523 4.892 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc(Cl)cc(Cl)c1 2301055590 OZJSJEASRBQNOJ-AWEZNQCLSA-N 270.203 4.762 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)C 2311511335 SAYIGQUWIKEPLK-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2311512763 HDCBROZCRLJECW-KLHDSHLOSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1 2313645759 SLWATNAFBYAPKI-ZJIFWQFVSA-N 269.498 4.631 30 10 CJEE C=CCCCCC[S@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2313808943 NNZFVGSIYGUHKB-MPGHIAIKSA-N 271.470 4.606 30 10 CJEE C=CCC(CC=C)[C@H](O)Cc1cccc(Cl)c1Cl 2316744540 PDEHXIBRLLFPQK-CQSZACIVSA-N 285.214 4.665 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(F)c1Cl 2321129711 CYJHTQXIPMAFKH-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@H](C)C[C@@H](C)C1)NC 2321148059 MMQTWXVSOGHRCC-FMKPAKJESA-N 251.458 4.639 30 10 CJEE C=C(C)CN(Cc1cc(F)c(Cl)cc1Cl)C1CC1 2325259323 XPHPYHAMIOMZOL-UHFFFAOYSA-N 288.193 4.673 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2330292134 RVXUENVPULNFSB-PNKHAZJDSA-N 264.453 4.924 30 10 CJEE CCCC1CCC(C[C@]2(C#N)COCC2(C)C)CC1 2336119169 UJEXKJVBJCBOHY-DQPZFDDXSA-N 263.425 4.549 30 10 CJEE C=C(C)CCCCOc1ccc(CC(F)(F)F)cc1 2336761197 GQHNGPLYQDCBFI-UHFFFAOYSA-N 272.310 4.917 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)cc(C)c1 2337114231 OJQYRAQVWCDTHZ-LZLYRXPVSA-N 257.421 4.699 30 10 CJEE CC=CC[C@H](CCCCCCCCC)OCCCN 2338530091 MZOGDIYNIOTHEO-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc(F)ccc1C1CC1 2341794964 LCTSPLWUDNZYCL-MRXNPFEDSA-N 265.347 4.617 30 10 CJEE CCC(CC)(CS)CN(C)C[C@H]1CC[C@@H]1C(C)(C)C 2343170615 XLDRNPJDQITROE-CABCVRRESA-N 285.541 4.727 30 10 CJEE C[C@H](C1CCCCC1)N(C)CC1(CS)CC(C)(C)C1 2345008030 JOSVOPOOUDEQNZ-CQSZACIVSA-N 283.525 4.623 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc(C(F)(F)F)c1 2353826324 GENSTQWABCNRAH-LLVKDONJSA-N 292.366 4.676 30 10 CJEE CCc1ccc(Nc2ccc(C#N)c(SC)c2)cc1 2353845173 LLSHTXUSBPGLCL-UHFFFAOYSA-N 268.385 4.586 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1C[C@H]2CC[C@@H]1O2 2360175421 IXGQTGMWXYTPTP-XWTMOSNGSA-N 282.468 4.836 30 10 CJEE CCc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1 3895212 FIBOWLAQFMCLBQ-KJCUYJGMSA-N 268.400 4.802 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccccc1C#N 21009070 ZYEILHBBQLYVEC-HOCLYGCPSA-N 256.393 4.575 30 10 CJEE CC(=O)/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 33294293 GBPOSTNVMXAPKH-RQOWECAXSA-N 281.138 4.856 30 10 CJEE N#Cc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1 36842531 OEDMECDLPMLZDV-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE Cc1ccc(C)c(OCCC[C@H](C#N)c2cccc(F)c2)c1 57688510 UVWDALNYYXONPH-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2cccc(F)c2)cc1C 57688851 BFSMIEYZTWPTAP-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE CCCCCCCOc1ccc([C@H](CC)NC)cc1 59179138 BYWSAEHUIDMZNO-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(C(=O)N(C)C)c1 59460363 VZFXQWKFDYMWIH-HNNXBMFYSA-N 290.451 4.549 30 10 CJEE N#C[C@H](C(=O)c1coc2ccccc12)c1ccccc1Cl 70392303 ILZJFCPVROKPAM-ZDUSSCGKSA-N 295.725 4.576 30 10 CJEE CCc1oc(-c2ccc(O[C@H](C)CC)cc2)cc1CC#N 77077192 DNYAGZGZOBVICT-CYBMUJFWSA-N 283.371 4.752 30 10 CJEE CC(C)(C)C1CC(C#N)(c2cccc(Br)c2)C1 86559310 QCBFMYRIBUTHSO-UHFFFAOYSA-N 292.220 4.667 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(Nc2cccc(OC)c2)CC1 86949190 NKAZWLGHLRRWRT-YJBOKZPZSA-N 286.419 4.750 30 10 CJEE C=C(C)C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCC 92129962 SDLDKQKMDWUEMT-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CC(C)(C)[C@@H](CS)CN1CCC2(CCCCC2)CC1 94579365 PUABIWWWMNDLOE-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CCCCCC[C@H](C)OC[C@H](CS)C(C)(C)C 94583944 JCICSODKXYGHLD-UONOGXRCSA-N 260.487 4.954 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(Br)cc1 97208445 RXKBMJXSPWNOFL-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2cc(F)ccc2s1 97283292 HSWWRJYCDJWFPX-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE CCCCCCCCC[C@H](COCCC)NCCC 109733633 VYKHUJXZHITPQS-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)NCC1(C)C 114057377 OLWCEZVQZFIAKW-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC1(C(=O)O)Cc2ccccc2C1 115841084 WYEUWZCWJBJMCA-UHFFFAOYSA-N 274.404 4.607 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CCCOC1 116141198 ZRVPJMVLJQCPIK-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@]1(C(=O)O)CCc2ccccc2C1 116258095 WTMBFAZRXWSJKM-SFHVURJKSA-N 274.404 4.607 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCc2ccccc2C1 116273200 UQAITEJGKWGXHO-MOPGFXCFSA-N 273.464 4.869 30 10 CJEE CCCCCCC[C@@H](NCC)C(C)(C)N1CCCCCC1 118150045 GAFFKXFHKVXWLY-GOSISDBHSA-N 296.543 4.980 30 10 CJEE N#Cc1cc(Cl)nc(Nc2ccc(Cl)cc2Cl)c1 122607094 YOQZXWFZKRVWBQ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE Cc1cc(Nc2ccc(C(F)(F)F)cc2)ccc1C#N 126820718 CXBJYFMWCVJPLH-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCC[C@@H](N)c1c(Cl)cnn1C(C)C 126985373 ZBONVOGWXLNNJE-CQSZACIVSA-N 285.863 4.868 30 10 CJEE CCCCCCCCCCNc1ncc([N+](=O)[O-])cc1C 129399748 GZCNNGKQBCDNCP-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCc2cccnc21 130644597 MNFHNZSBIDAYAR-IRXDYDNUSA-N 275.436 4.613 30 10 CJEE C=C(C)CC[C@@H](O)c1cccc(OCc2ccccc2)c1 140195533 LQHGPUQVHFOFSD-LJQANCHMSA-N 282.383 4.655 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1OCCc2ccccc21 140271806 IRHUOONUDOFSMA-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1ccnnc1 143494120 MCSYAJFDGBOLKG-QGZVFWFLSA-N 277.456 4.787 30 10 CJEE CCCCCCCCN[C@H](C)Cc1cccc(F)c1 157901521 JMDRSEZJIJEONC-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1ccc(C(C)C)cc1 158811716 KJRWPCVKJUNYMB-GOSISDBHSA-N 259.437 4.543 30 10 CJEE CCCCCCCCNCc1cnc(C(C)(C)C)s1 160854679 DHINSFXELUYQRG-UHFFFAOYSA-N 282.497 4.891 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](OC)C1CCCCC1 162982601 HMDRRFFXWQNSKU-IAGOWNOFSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@](C)(CC)OC 163393035 VNBGVDBQLYZSDE-CVEARBPZSA-N 257.462 4.660 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1cc(F)cc(C#N)c1 163715739 DIIMKPIIMVSCBU-FSPWUOQZSA-N 289.394 4.675 30 10 CJEE CCCCCCCC[C@@H](N)C1(OCC)CCCCC1 165150929 WAZJVQBWDCBSNY-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE CC(C)c1ccc([C@H](C#N)N(C)C2CCCCC2)cc1 211487315 ZJEMOYYIMWQCBW-SFHVURJKSA-N 270.420 4.639 30 10 CJEE CCCCCCCCCCN1CC[C@H](CC)NC[C@@H](C)C1 227201101 RFKZXCXZACFMCT-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCCCNc1cc(C(=O)O)cc(CCC)n1 228191213 IZMOKISQOLFLOJ-UHFFFAOYSA-N 292.423 4.505 30 10 CJEE CC(C)CCCCCCNCCCC(C)(C)C#N 232607682 UDXLPPFOTIRDKM-UHFFFAOYSA-N 252.446 4.512 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)C1 232734092 MJKSVMYMPAOODW-UONOGXRCSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CSc2ccccc2O1 232934028 CDTMNQWUTWZIBR-GDBMZVCRSA-N 294.460 4.651 30 10 CJEE CCCCCCCCCCNCCCCCOC 232944288 NILZDXJFRUHUEH-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE C=CCCCCC[C@H](NCCC)c1snnc1CCC 233124969 VDHLSVGYXKKHNM-AWEZNQCLSA-N 295.496 4.668 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CSc2ccccc21 233540487 KHMSYDDIYYZYEM-SJORKVTESA-N 289.488 4.991 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(F)c(F)c1)NCC 233603023 PAOMGKHUWORFOE-OAHLLOKOSA-N 281.390 4.622 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCCc2ccccc21 234432062 ZAHUVEFLIRRBSQ-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=CCCCCCN[C@H](C)c1ccccc1Cl 235205324 ZXOBUIZJLMGNOB-CYBMUJFWSA-N 251.801 4.737 30 10 CJEE C=CCCCCC[C@H](N)c1cccc2ccccc12 236303365 UPZNFZUKCLIJLV-SFHVURJKSA-N 253.389 4.976 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@H]1C1CCCC1 250835002 UHWUFKMLOXHQTL-OALUTQOASA-N 294.527 4.719 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1[C@H](C)CC 250836580 VHXSOFIWHGLARZ-KZNAEPCWSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCO[C@H]1C 252990570 BDDWLFJQHCRWCV-BZSNNMDCSA-N 298.515 4.554 30 10 CJEE CCC[C@@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 300469096 RJCRXNOVHURRGH-MFKMUULPSA-N 255.283 4.749 30 10 CJEE CC(C)(C)C#CCC(=O)c1ccc(Cl)cc1Cl 304123258 BOTCRQMYZXQBFH-UHFFFAOYSA-N 269.171 4.616 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2sccc2Cl)C1 304531748 IVISUUMNBYOQQM-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C=C(CC)C[C@@H](O)c1ccccc1OCc1ccccc1 309951429 GKIVAGHRSLSVSH-GOSISDBHSA-N 282.383 4.655 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2nccc3ccccc23)C1 312449201 OGDFHTJFFBXEPU-RDTXWAMCSA-N 264.372 4.596 30 10 CJEE C=C(C)CC[C@]1(CNCCC)CCCc2ccccc21 318557991 IOPOMLMGHPKZAD-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CCCCCCC[C@@H]1CCC[C@H]1[C@@H]1CCCCN1 386065689 YKMFADKEAWSQBG-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C[C@@]1(c2cccc(Cl)c2Cl)CCC[C@@H](CC#N)O1 386292876 DFJQILAMGPMLBC-HZMBPMFUSA-N 284.186 4.691 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1ccc(Cl)cc1F 387704273 XVGPXYYYZTVENO-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)cc1Cl)C1CCCC1 397331169 CRVQNJHHFXOLGW-NSHDSACASA-N 283.202 4.735 30 10 CJEE CCCCCCCCC(=O)CCC[C@H]1CCOC1 401027739 AYALFCSYBOAFSG-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE CCSc1cccc(NC(C)(C)C(C)(F)F)c1C#N 406001199 YJFCPBHTZHSKID-UHFFFAOYSA-N 284.375 4.516 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(F)cc1C 410348015 GHOBFHFDEJNNPH-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C)cc1F 410373107 JJKVOKCWTPBQCU-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=CCCCN(C)Cc1nc2ccccc2c(C)c1Cl 605740676 KFDMGROOSQCNAI-UHFFFAOYSA-N 288.822 4.595 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccccc1C(C)(F)F 626577665 IUPZTFGDPKQQBW-UHFFFAOYSA-N 296.361 4.522 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(SC)cc1 686681333 OYRXUEWLROVISH-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(F)cc1F 686696564 GQTQOSMZRCOBQO-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE C#CCCCCCC1(CN)CC(C)(C)CC(C)(C)C1 686700485 AUMKUWXDOSVNCX-UHFFFAOYSA-N 263.469 4.752 30 10 CJEE CCCCCCCC[C@H](CCCC1CCC1)NN 688857739 WISYQHRCERPHPK-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCC[C@H](C)NCCc1ncc(C)cc1C 689395361 RQQJBEIQIIWLJL-KRWDZBQOSA-N 276.468 4.580 30 10 CJEE CCC(F)(F)C(C)(C)CNc1ccc(C#N)c(Cl)c1 691044980 BXGLFSRTYXZKCL-UHFFFAOYSA-N 286.753 4.695 30 10 CJEE CCc1ccc(NCc2ccc(CC#N)cc2)cc1Cl 691200011 SAZZREHXGKLJGK-UHFFFAOYSA-N 284.790 4.581 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(N)cc1C(F)F 692254442 WJVFIWYFXCFDSK-RISCZKNCSA-N 280.362 4.753 30 10 CJEE Cc1cc(C(=O)C2=CCCCCCC2)cc(C)c1F 694929168 QBUKXXHDXYYISG-UHFFFAOYSA-N 260.352 4.906 30 10 CJEE C=CCC[C@H](N)[C@H](O)CCCCCCCCCCCC 695503513 LCKAPDWADDZDIX-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)C1CCC(C2CCC2)CC1 695792390 JBCWEGJZIRVTTC-OOHWJJMZSA-N 276.468 4.605 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H]1CCCC(C)(C)CC1 697535970 NNZPQNWMXBSPCD-MRXNPFEDSA-N 270.420 4.662 30 10 CJEE CCCCCCCN[C@H](C)CCCC(F)(F)F 703749623 XTEPHFQRVRZACP-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCNCc1cnccc1C(F)(F)F 706013717 VXOBIJQBMHUIJA-UHFFFAOYSA-N 288.357 4.551 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2C3CCCC2CCC3)C1 707113716 MRZMRBGYTFUUCI-VGAKTEPXSA-N 274.452 4.502 30 10 CJEE CC(C)(C#N)CCCCN1CC[C@@H](C2CCCCC2)C1 708837727 QCMXYJQUQKGUAA-QGZVFWFLSA-N 276.468 4.609 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)[C@]12CCCC[C@@H]1C2 708864920 HQROWTCFDNCFJM-HWWQOWPSSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nc(C)sc1C 709353181 NCHYNEVOKYPOGG-DFBGVHRSSA-N 278.465 4.545 30 10 CJEE N#CC1([C@]2(O)CCCC[C@H]2C2CC2)CCCCCCC1 710205496 TUTSJPTWEVYELN-WMZOPIPTSA-N 275.436 4.572 30 10 CJEE CCC[C@H](CS)CN(C)C1CC(C)(C)CC(C)(C)C1 710272755 PSRRRNBGTJZCAZ-AWEZNQCLSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCCCC(=O)CC1CC(N)C1 718131286 XDBJELAZHLDYQU-UHFFFAOYSA-N 281.484 4.994 30 10 CJEE CC1(C)CCC(C#N)([C@@]2(O)CCCCCC2(C)C)CC1 719374538 IMFJHTLGFFWHQM-GOSISDBHSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C1(C)CCCCC1 720300925 KRAGJQDCMXRBNT-SFHVURJKSA-N 282.516 4.719 30 10 CJEE C=C1CCC(C[C@@H](O)CSc2ccccc2C)CC1 724554000 VVPCLNOOQPOPLA-MRXNPFEDSA-N 276.445 4.585 30 10 CJEE C=C1CCC(C[C@H](N)C(CC)(CC)C(F)(F)F)CC1 724610773 LJIOATZKJLZACN-ZDUSSCGKSA-N 277.374 4.819 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](CC)c1ccccc1 1131106834 YOTPFVLSORHNNR-BHIYHBOVSA-N 299.458 4.821 30 10 CJEE C=CCC1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 1135506102 UYGBJSMXTKLJKQ-IAGOWNOFSA-N 289.463 4.552 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1CCCCC1(C)C 1167273405 FORGHKKYVOYZCN-IBGZPJMESA-N 285.475 4.934 30 10 CJEE C=C(CC)CN1CCc2c(-c3ccccc3)cccc21 1168968634 KNNZFZMHGPNATM-UHFFFAOYSA-N 263.384 4.682 30 10 CJEE C#Cc1cccc(N[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1 1180655087 TTZMQDCUIWXBEL-UONOGXRCSA-N 283.802 4.925 30 10 CJEE C=CC[C@H]1CCN(CCCOc2cccc3ccccc23)C1 1196441175 KAFFOTOWRMSJMO-KRWDZBQOSA-N 295.426 4.507 30 10 CJEE C=CCCCCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1205471664 PQTREHNQQWIAAF-WMZOPIPTSA-N 291.866 4.997 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccc(SC(C)C)cc1 1273994931 RHLZWRGXVIVULF-UHFFFAOYSA-N 291.460 4.519 30 10 CJEE C=CCC[C@H](CCC)NCCc1nsc2ccccc12 1308880500 AUFVJLJKHDSTDB-AWEZNQCLSA-N 288.460 4.563 30 10 CJEE C=CCC[C@@H](C(=O)NC1CCC(C)(C)CC1)c1ccccc1 1354287971 LOBRRDGLSUGSTL-GOSISDBHSA-N 299.458 4.821 30 10 CJEE C=CC1(CC(=O)NCC[C@@H]2CCCC[C@H]2C)CCCCC1 1435161118 MDWIZQKOMVAGQK-SJORKVTESA-N 291.479 4.846 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H](CCCC)C(C)C 1462600554 HSXPMZUZJCQCEI-HNNXBMFYSA-N 267.457 4.557 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1csc2ccccc12 1462646689 BTMUPVXTMZMPBF-QWHCGFSZSA-N 259.418 4.907 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CCc1ccsc1 1474623170 JWNYNFOFYDAXPK-DJIMGWMZSA-N 277.477 4.794 30 10 CJEE C=C1CCC(CNC(=O)c2ccc(C3=CCCC3)cc2)CC1 1534406015 BTFBHLXZAXMZHP-UHFFFAOYSA-N 295.426 4.730 30 10 CJEE C=CCCCN1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 1559568401 VUCNWUGJDNPVLT-ZBFHGGJFSA-N 261.409 4.581 30 10 CJEE C=CCN(C[C@@H]1CCCC(C)(C)C1)c1ccccc1 1560765819 VRVUQOAFLSZGDI-MRXNPFEDSA-N 257.421 4.895 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc2ccccc2c1 1562169056 QKMJGSXXJGHIHY-SFHVURJKSA-N 294.398 4.802 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCCC[C@H]1CC 1584289070 QGANHEDKWNZZJB-IAGOWNOFSA-N 279.468 4.846 30 10 CJEE C=CCC(C)(C)CNC(=O)c1coc2ccc(C(C)C)cc12 1588299346 WWOLXNGHWHPJKA-UHFFFAOYSA-N 299.414 4.888 30 10 CJEE C=C(C)[C@H](NCCC(C)(C)C)c1ccc(F)c(F)c1 1617339661 ZNDLBGXQDNPSGK-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CCCN[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1620525141 FTMWZGQJRHCBFS-DLBZAZTESA-N 257.421 4.515 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](c2cccc(Cl)c2)C(F)F)C1 1621522553 FKHNLBKFMCKGSF-DFBGVHRSSA-N 299.792 4.981 30 10 CJEE C=CCCCCCCCNC(=O)c1cc2ccc(C)cc2[nH]1 1625773310 BPCVNPOXUYFQFT-UHFFFAOYSA-N 298.430 4.733 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC2(CC2)C1)c1ccccc1 1633521998 XDZYIVFUNROAIM-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCC(CC)(CC)C1 1637539794 KQWUIELMRSQMPF-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=C(CC)CN(Cc1ccccc1)Cc1ccccc1C 1641617126 AJIZLOPEQCLJRO-UHFFFAOYSA-N 279.427 4.963 30 10 CJEE C=CCN(CCCSCc1ccccc1)C(C)(C)C 1647787583 JARMMBJTJCSWOH-UHFFFAOYSA-N 277.477 4.596 30 10 CJEE C=CC[C@H](C)N1CCc2ccc(-c3ccccc3)cc2C1 1653750817 JZWFOMPXKIUIEW-INIZCTEOSA-N 277.411 4.676 30 10 CJEE C#CCCCCCCN[C@@H](c1ccccc1F)C(C)C 1654999765 OATHILOZGHIPKC-GOSISDBHSA-N 275.411 4.696 30 10 CJEE CCCCCCCN(Cc1ccccc1OC)C1CC1 1657008947 OBZCMDOKTBSTFM-UHFFFAOYSA-N 275.436 4.630 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(F)c([C@H](C)O)c1 1658054573 KPOOKWWATLHYPM-KGLIPLIRSA-N 279.399 4.816 30 10 CJEE C=C(C)[C@H](N[C@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 1658896342 YJXPRYACWYLDPT-WBMJQRKESA-N 281.390 4.996 30 10 CJEE C#Cc1ccc(N[C@@H](CC)Cc2ccc(Cl)cc2)cc1 1659063157 DLCGYWAOSLSBOW-KRWDZBQOSA-N 283.802 4.755 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 1660164916 OZTKRMNYFAJHLW-GYFISPQKSA-N 267.416 4.956 30 10 CJEE C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1CCC 1680958830 ASPIEJVLJZRQKW-ULQDDVLXSA-N 294.483 4.637 30 10 CJEE N#Cc1cccc(-c2ccc(Cl)cc2Cl)c1F 1848376372 WVVDTXROPRBSGF-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CC#CCCCC1(CNCC)CCC(C(C)C)CC1 1879640991 LVVIANWRGDFPFC-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cccc(C)c1C 1879646689 HPOUUTVMEKERPB-GOSISDBHSA-N 257.421 4.538 30 10 CJEE N#C[C@@]1(C[C@H]2CCCc3ccccc32)CCCSC1 1879873790 ULXYFXQROWVORT-WBVHZDCISA-N 271.429 4.534 30 10 CJEE CC[C@@H]1CCC[C@@H](N(CC#N)C2CCCCCC2)C1 1883304188 ZLCGPDWKJKBQFF-NVXWUHKLSA-N 262.441 4.504 30 10 CJEE CCCCCCCCCN(C)C1CC2(C1)CC2(F)F 1883431367 BYEPJXIXFPZAMS-UHFFFAOYSA-N 273.411 4.857 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(F)cc2Cl)C1 1883449345 HJTOFIKJZGWONG-CYBMUJFWSA-N 281.802 4.657 30 10 CJEE CC#CCCCCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1885367322 HCKFEPZVARQYIA-YESZJQIVSA-N 260.421 4.746 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)C(C)(CC)CC)C1CC1 1887453833 UNZGTFGBMWSRJA-DLBZAZTESA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(Cl)c(Cl)c1 1903157370 OMDJKKDJFYZXQW-GFCCVEGCSA-N 258.192 4.596 30 10 CJEE CC(C)C[C@@H](CS)CSCC[C@H](C)C(F)F 1905527159 MTJVIZWSZHWOHR-QWRGUYRKSA-N 270.454 4.603 30 10 CJEE C=CCCCCCCCC[C@@H](N)COCc1ccccc1 1906907277 DNSKTPAKPBKUNC-LJQANCHMSA-N 289.463 4.837 30 10 CJEE Cc1ccsc1C=CC(=O)c1cc2ccccc2o1 1911787653 IZPCFMQOTQQUPV-UHFFFAOYSA-N 268.337 4.699 30 10 CJEE Cc1cc([C@@H](C)N=C2N[C@H](C(C)(C)C)CS2)c(C)s1 1911883422 LAAQUJUXZHBXQS-MFKMUULPSA-N 296.505 4.533 30 10 CJEE C=CCC1(NCc2c(Cl)cccc2Cl)CCC1 1913981878 WHQSAEJTNNPVFH-UHFFFAOYSA-N 270.203 4.582 30 10 CJEE C=C([C@@H](NCCC)[C@H]1C[C@@H](OC(C)(C)C)C1)C(C)(C)C 1914044114 UXUCCEVRVAYWDW-OWCLPIDISA-N 281.484 4.551 30 10 CJEE C=C1CCC(CC(=O)c2cnc(Cl)c(Cl)c2)CC1 1917226312 SPLIMGJARWJLSR-UHFFFAOYSA-N 284.186 4.708 30 10 CJEE C#CCCCCC[C@]1(O)CCC(C)(C)c2ccccc21 1919634157 RLWCHHNERSRPKG-IBGZPJMESA-N 270.416 4.529 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](N)c1sccc1C1CC1 1920353852 YWKYTFPMNZZKRO-DLBZAZTESA-N 295.492 4.737 30 10 CJEE SCCCCCCCCCn1ccnc1C1CCC1 1922816947 BDLQZWUCNUNGAM-UHFFFAOYSA-N 280.481 4.811 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@@H](C)C1CCCCC1 1924087019 QWDMWUXLNPOBBE-LPHOPBHVSA-N 275.480 4.765 30 10 CJEE CC1CCC2(CC1)CC(=CB1OC(C)(C)C(C)(C)O1)C2 1934993261 MHWCWUCLRREQPD-UHFFFAOYSA-N 276.229 4.535 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1ccc(OCc2ccccc2)cc1 1958112623 LEUMTJXPAVQXTI-UZLBHIALSA-N 295.426 4.868 30 10 CJEE O=C(CC#CC1CCCCC1)CCCOCc1ccccc1 1958670182 XHWVFGBUUNSNQI-UHFFFAOYSA-N 298.426 4.526 30 10 CJEE CC(C)C(C)(C)CSCc1ccsc1C#N 1964741009 FGOHFPORQUTIGJ-UHFFFAOYSA-N 253.436 4.535 30 10 CJEE CC(C)(C#N)CCCSCC1CC(C(F)(F)F)C1 1965881446 FHKVCQQBPLNJFF-UHFFFAOYSA-N 279.371 4.638 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1sccc1Cl 1975908487 FWOYYSQOCVJVSK-JQWIXIFHSA-N 257.830 4.654 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccsc1Cl 1978586943 NKLWLHVSEOHWSO-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE C=CC1(C[C@@H](N)c2cc3cscc3s2)CCC1 2002639901 VQYIIPRVFBAEFW-LLVKDONJSA-N 263.431 4.709 30 10 CJEE CCCCCCCN1CCC[C@H]1c1cccs1 2004802198 NOVUDPFDMGJUOF-AWEZNQCLSA-N 251.439 4.855 30 10 CJEE F[C@@H]1CCC[C@@H]1OCCCCCCCCCS 2020497107 RGKQXEYSNUWJPD-KGLIPLIRSA-N 262.434 4.554 30 10 CJEE CCCCCCCCCN[C@@H]1CCCS[C@H]1C 2020607396 XPWXTILROPRTOR-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cc(Cl)cs1 2024357241 SVIDXMBEDCCCLU-CYBMUJFWSA-N 269.841 4.636 30 10 CJEE CCC[C@]1(C)CSC(=Nc2c(C)cccc2Cl)N1 2029957684 SWDHKUCRQVFBDI-CQSZACIVSA-N 282.840 4.531 30 10 CJEE C=C([C@H](NC)c1cc2ccccc2s1)C(C)(C)C 2035417900 JNROWNIHYPONLX-HNNXBMFYSA-N 259.418 4.764 30 10 CJEE C=C([C@H](O)C1CC(C)(C)CC(C)(C)C1)C(C)(C)C 2035421154 UCVQSDRYHZFMRL-AWEZNQCLSA-N 252.442 4.802 30 10 CJEE C=CCCCCC[C@H](N)c1csc(C(C)(C)C)n1 2037101570 FPZFAZIHMVJGQI-LBPRGKRZSA-N 266.454 4.577 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@@H]2CC[C@H](C1)N2 2041687342 ZUIRYEKDDHSVSZ-MUJYYYPQSA-N 255.421 4.750 30 10 CJEE CCCC[C@](C#N)(CC)CC1C[C@H](C)O[C@@H](C)C1 2046000479 PJOJOAFDHZZHNM-OFQRWUPVSA-N 251.414 4.690 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1ccc(SC)s1 2048687509 QSQRQMUFJGYDMG-LBPRGKRZSA-N 281.490 4.560 30 10 CJEE 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CC(C)[C@@H](Nc1ccc(C#N)cc1F)c1cccs1 49558356 VAOHAFGSOITMQA-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE CCC(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 54403256 SJSDRWFZHBVQCJ-NSHDSACASA-N 284.186 4.606 30 10 CJEE CCCCCCCCSc1ccc(C=O)cc1 79513089 XASMNZKKBOGSBO-UHFFFAOYSA-N 250.407 4.952 30 10 CJEE C[C@H]1CCC[C@H](SCC2(CS)CCCC2)C1 87097996 KYYUSFBDGKYASL-STQMWFEESA-N 258.496 4.789 30 10 CJEE CC(C)C1CC(C#N)(Sc2cccc(Cl)c2)C1 90238272 RVTBAOZAMSFIKD-UHFFFAOYSA-N 265.809 4.760 30 10 CJEE CC(C)(C)c1ccccc1NCc1cc(C#N)cs1 93685985 NUWAVHBDMJPUDG-UHFFFAOYSA-N 270.401 4.529 30 10 CJEE CCC(CC)(CS)CO[C@H]1C[C@@H](C)CC(C)(C)C1 94584000 HVPIZWRAFDPOGY-KGLIPLIRSA-N 272.498 4.954 30 10 CJEE CCC(CC)[C@@H](C#N)c1cccc(C(F)(F)F)c1 94674604 PZASLYVTRBIFHY-CYBMUJFWSA-N 255.283 4.749 30 10 CJEE CC(C)c1ccc(C(=O)/C=C\Nc2ccccc2)cc1 103029795 RJCGQEBZXDHYDQ-SEYXRHQNSA-N 265.356 4.619 30 10 CJEE C=C[C@@H](C)Cc1ccc(OCc2ccccc2)cc1C 107616872 JKEYJZGHHRBGMG-OAHLLOKOSA-N 266.384 4.939 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cc(Cl)c(C)cc1OCC 107621365 OHTACAWTBLPFIF-WCQYABFASA-N 264.796 4.810 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1ccc(F)cc1 110067874 NUEYOVDUJWTEEQ-SFHVURJKSA-N 293.426 4.606 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)C[C@@H]2CC[C@@H]1C2 110198386 BDVGVNVMMPIHIZ-QRVBRYPASA-N 295.511 4.779 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C[C@@H]2CC[C@@H]1C2 111080740 PWQLDPNKHGJFLW-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccccc1F 112893998 PKLIFODWKYXAPO-MRXNPFEDSA-N 265.416 4.836 30 10 CJEE CCCCCCC[C@]1(N)CCC[C@@H](C(F)(F)F)C1 115086084 QBCBPUFPNRCDRL-OLZOCXBDSA-N 265.363 4.797 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NCC[C@H]1C 115269283 HBSSILXVAUZFCH-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCOCC[C@H]1CCNC1 122411607 QISLTSPOWHILQP-GOSISDBHSA-N 283.500 4.924 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)cc(Br)c1 125648054 DXOVIVBOLUBKRF-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C#CC[C@H](CC)N[C@H](CC)c1ccc(Cl)cc1Cl 129800492 HDSLOBZFNUQJLJ-SWLSCSKDSA-N 284.230 4.836 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1nccc(C)c1C#N 135092034 HRCSDWMTHZEAMV-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE C[C@@H](C[C@@H](O)C1(C#N)CCCCCCC1)c1ccccc1 156815382 VZOZVEIBPDJDRY-FUHWJXTLSA-N 285.431 4.795 30 10 CJEE CCC[C@@H](CS)CSCc1ccc(Cl)cc1 159184895 VUEFUIAPPWVTIS-LBPRGKRZSA-N 274.882 4.919 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CC[C@H](C)c2ccccc21 163760379 MNCFENCWZYOUOL-UGSOOPFHSA-N 276.383 4.917 30 10 CJEE CSc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1C#N 167597665 RLYZIURNWBAHKB-KBPBESRZSA-N 288.460 4.908 30 10 CJEE CCCN(C(C)C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222218520 UENLLCPQYIZXNB-IXDOHACOSA-N 278.484 4.851 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCCC1(C)C 226860114 BMISIOJOPQNETL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 229756907 XBJOYUYNBCFLOK-FGTMMUONSA-N 257.421 4.515 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1CCCCS1 233163707 WPYIUHZNROPDFQ-CVEARBPZSA-N 269.498 4.777 30 10 CJEE Cc1ccc(Nc2cc(Cl)ccc2C)c(C#N)c1 235907342 IAMMUWFCBBUNPM-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCC[C@H]1CC 300516359 FGTPHBDNYKFSEB-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc(Cl)ccc1Cl 304126587 MNQKYFLNXLIRQK-UHFFFAOYSA-N 269.171 4.616 30 10 CJEE Cc1cc(C)c(Nc2nc(C)c(C#N)cc2Cl)c(C)c1 312815426 CAAQLVZZQUPTJE-UHFFFAOYSA-N 285.778 4.584 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)c2ccccc21 313374148 QIGCXNQNGXPMJP-APPDUMDISA-N 282.774 4.872 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2cccc3ccccc23)C1 316680877 FHNVKEDHTKMGGV-KXBFYZLASA-N 266.384 4.778 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)C)CCC[C@H](CC)C1 318120090 VGOIOHDDZDHVOX-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2CCCC[C@H]2O)CC1 328152943 DZNTXSUVZBMCNI-UERKLNTKSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cn(C)nc1C 380649160 PKKHJGVQNOIEOG-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE C=CCCCCCCN[C@H]1CCCc2ccccc21 382229428 UJSKTOQKERNQJJ-SFHVURJKSA-N 257.421 4.790 30 10 CJEE C[C@H](c1ccccc1)N(C)CC1(CS)CCCCCC1 383639171 MLZIHUVWWUQGLA-MRXNPFEDSA-N 291.504 4.950 30 10 CJEE CCC[C@H](NC[C@H](C#N)C1CCCC1)c1cccs1 397167240 ZWJLXYKBSNSHHI-GJZGRUSLSA-N 276.449 4.509 30 10 CJEE N#Cc1cnccc1Oc1ccc(Cl)c2ccccc12 399410732 DMGDQRLSRJOFLL-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCC(=O)CN(C(=O)OC(C)(C)C)C(C)C 405458670 RRGWLRRKDWGRNR-UHFFFAOYSA-N 299.455 4.562 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@H](O)CO[C@@H]1C 405738483 BDTQHSYOSTYOGI-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C=CCC[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccccc1 430742455 OSGLJKOYEQDSHQ-ZBFHGGJFSA-N 279.374 4.719 30 10 CJEE CCC[C@H](CCc1ccccc1)NCC1CCC(C#N)CC1 442848638 AUIOIQTYWOENEM-SOAGJPPSSA-N 298.474 4.707 30 10 CJEE C=CCC[C@H](NC1CCC2(CC1)CC2(F)F)c1ccco1 658264289 FIPJRDXRMYYPMO-BBBYJDLNSA-N 295.373 4.845 30 10 CJEE CC1(C)CCC(/N=C2/NC3(CCCCC3)CCS2)CC1 687318020 HDPIERBYOSIEKF-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE C[C@@H]1CCC[C@@H](C/N=C2/NC3(CCCCC3)CCS2)C1 687320059 OCFWDUCDOBACRL-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE Cc1cccc(CC2(C=O)CC(C)(C)CC(C)(C)C2)c1 687952907 IHVPTFWASRWSPR-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE CC[C@@](O)(C1CCC1)C1(C#N)CC(C)(C)CC(C)(C)C1 688279167 FUTAXWJZJSUYQG-GOSISDBHSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCSc1ccccc1 692241349 STXYZUIPWCORMJ-NVXWUHKLSA-N 275.461 4.503 30 10 CJEE C=CCC[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 693402179 YHAMJOKRQMGPLO-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE CCCCCCCC[C@@H](Cc1ccns1)NCCC 694601842 OCPNNOYPULOFTR-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](N)C(C)C 697209226 KONJLPDCRWMARR-SJORKVTESA-N 271.489 4.642 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCCOC2CCCC2)C1 699958361 BGRSVEBOJSVVBM-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCCCN1C 700125492 KYIPNBGTWYZWJK-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCCSCC1 701987996 BXLRFZSXUUYVGA-HZPDHXFCSA-N 271.514 4.988 30 10 CJEE CCCCCCC[C@H](C[C@H](C)C(F)(F)F)NCC 705502497 SICPJLCXDMCMHI-QWHCGFSZSA-N 267.379 4.914 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCCC12CC2 706270822 VQMDRQXFEBZYBH-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H]1C[C@@H]1C1CC1 712637294 JSNPYYQNJXDHBE-BHYGNILZSA-N 251.458 4.761 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714427878 KHLMJDUYBYOSGP-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](N)c1ccc(Cl)cc1C(F)(F)F 715724926 WUEIQJDDFJEHFT-PELKAZGASA-N 277.717 4.571 30 10 CJEE C=CC[C@H](C)[C@@H](NC)C1(c2ccccc2)CCCCC1 715747286 GLKQQFHPHRUNNO-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE CCCCCCC[C@H](N)c1oc(Br)cc1C 716249419 ZAPMRZWRSSRUBP-NSHDSACASA-N 288.229 4.711 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(SC)cc2)CC1 724443354 QAHITJIYISITLN-AWEZNQCLSA-N 275.461 4.806 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)c(F)cc2F)CC1 724601849 GNTFMDHIWNSLSM-KRWDZBQOSA-N 279.374 4.670 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(F)(F)CC)CC1 724601885 HKXKVLPFCDYLRP-CQSZACIVSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@H](NC)c1c(C)csc1C 724966701 FCBCZQFTKGDOKL-AWEZNQCLSA-N 253.455 4.986 30 10 CJEE CC[C@H](C#N)c1ccc(C(F)(F)F)cc1C(F)(F)F 725417351 ZGLRIKGSXBVRKD-SSDOTTSWSA-N 281.199 4.741 30 10 CJEE CC/C(=N\OCc1ccccc1C)c1cc(F)ccc1F 821226014 VNQNVIYFZMBKAE-LVZFUZTISA-N 289.325 4.604 30 10 CJEE C=C(C)CN(CC)C(=O)C1(c2ccccc2)CCCCCC1 1124707973 DNTXAPNRDUKHLG-UHFFFAOYSA-N 299.458 4.703 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1ccccc1 1127384030 KLSARCJAQSTXKO-SZMVWBNQSA-N 285.431 4.636 30 10 CJEE N#Cc1ccc(CSc2cc(Cl)ccc2F)c(F)c1 1166154653 BYZVQAVUCKALAG-UHFFFAOYSA-N 295.741 4.782 30 10 CJEE C=CCC1(NCc2ccc(C)c(C)c2)CCCCC1 1175371429 GCNGKKIDXOSZLP-UHFFFAOYSA-N 257.421 4.672 30 10 CJEE C=CCCCCCN(CC)c1cccc(Cl)c1 1191654703 IOSZSDQLMSLUNR-UHFFFAOYSA-N 251.801 4.913 30 10 CJEE C=C(CC)CNCc1ccc(-c2ccc(C)cc2)s1 1202811285 FASZVQJIYCTBHT-UHFFFAOYSA-N 271.429 4.779 30 10 CJEE C=CCC1(CN[C@@H]2CC(C)(C)CC[C@@H]2C)CCCC1 1205788687 FMULPDWBFZUCJG-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1N(C(=O)NCCCC(C)(C)C)CCCC1(C)C 1222138341 DQNORIALSDSGID-HNNXBMFYSA-N 294.483 4.589 30 10 CJEE CC[C@H](CC#N)N(Cc1ccccc1)C1CCCCC1 1255166329 IURCTRWMXSXUSU-QGZVFWFLSA-N 270.420 4.514 30 10 CJEE C[C@@H]1CCN([C@H](C#N)c2ccccc2)CC12CCCCC2 1307703894 BURMAJHCOCNXDQ-SJLPKXTDSA-N 282.431 4.544 30 10 CJEE C#Cc1ccc(CN2CCCCC[C@@H]2c2ccccc2)cc1 1308614496 VIDBCORNYKOMQI-OAQYLSRUSA-N 289.422 4.785 30 10 CJEE C=CCOc1ccc(Br)cc1NC(CC)CC 1308810392 UNCXZDWZYARZJF-UHFFFAOYSA-N 298.224 4.614 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(C(C)(C)C)ccc1OC 1354746209 UXORLJCMOTYYRF-CYBMUJFWSA-N 289.419 4.534 30 10 CJEE C=C1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 1357311662 AKRSPHGPMBFWEN-IRXDYDNUSA-N 291.479 4.702 30 10 CJEE CC[C@H](OC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 1358333035 DONJNWQEGYLUSR-INIZCTEOSA-N 299.757 4.520 30 10 CJEE C=CCC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1358503007 LDVHZVNLQONQLA-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1CCCc2ccccc21 1460677622 ZFNYAWGMUWOFJT-LJQANCHMSA-N 299.458 4.749 30 10 CJEE C=CCOc1cccc(CNc2ccc(C(C)(C)C)nc2)c1 1461804359 HUTXIQAGMYXDGF-UHFFFAOYSA-N 296.414 4.556 30 10 CJEE C=CC(C)(C)NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1463306240 TUHPEZQAUSEYQM-HNNXBMFYSA-N 293.838 4.551 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccccc1C(F)F 1466917284 UWNWNNQBCUFYJS-UHFFFAOYSA-N 296.361 4.738 30 10 CJEE C=C(C)CCNC(=O)N(CCCC)[C@@H](C)c1ccccc1 1470232653 HXHOZMQCNUGRNR-INIZCTEOSA-N 288.435 4.526 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCC1 1523894090 BSGALUHTCUFJNO-IRXDYDNUSA-N 283.415 4.570 30 10 CJEE C=CCN(C(=O)C1CCCCCCC1)c1ccccc1 1524508016 FPKDQZQWBWNGNZ-UHFFFAOYSA-N 271.404 4.566 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 1524808393 HILBJYIIHUCVDQ-SJCJKPOMSA-N 291.822 4.510 30 10 CJEE C=CCC1(C(=O)NCC(C)(C)C2=CCCC2)CCCCC1 1528125622 JZLGYNZBFSDQKS-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=CCN(C(=O)CCC1CCCCCC1)c1ccccc1 1532545706 ZPTGCPQUODEPPG-UHFFFAOYSA-N 285.431 4.956 30 10 CJEE C=CCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 1535214401 QFLRDUSGJUYXNI-GOSISDBHSA-N 289.394 4.530 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](C)C(CC)CC)c1ccccc1 1536283965 YQKXEAHQLSOQJJ-CRAIPNDOSA-N 287.447 4.882 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C1CCCCCC1 1538890690 VUFYGWURBPRCMC-MCXRAWCPSA-N 289.463 4.764 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 1539121603 KCBAHMMBOZXFAQ-IBGZPJMESA-N 291.394 4.852 30 10 CJEE C=CC[C@H](CC)NC(=O)CC1CCC(c2ccccc2)CC1 1540090637 DZSPYBKKEDFVPW-KVZIAJEVSA-N 299.458 4.821 30 10 CJEE C=CCC1(NC(=O)/C(C)=C/c2ccc(C)cc2)CCCCC1 1543288741 PBFOGAKPOBGFNC-BMRADRMJSA-N 297.442 4.794 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc2ccccc12 1543743348 LUXORMVSVFCUMW-SFHVURJKSA-N 267.372 4.689 30 10 CJEE C=CCCCCCCCNc1ccccc1[N+](=O)[O-] 1559206063 PCHUCZHKDZFPHL-UHFFFAOYSA-N 262.353 4.533 30 10 CJEE C=CCCCCCCNC(=O)C(C)(C)c1ccc(C)cc1 1587020917 BZIQROKLSZQWTR-UHFFFAOYSA-N 287.447 4.525 30 10 CJEE C=C(CC)CN(Cc1cccc(F)c1)C1CCCC1 1616179072 BPOLJSGRUAXCRP-UHFFFAOYSA-N 261.384 4.537 30 10 CJEE C=C(CC)CN1CCC[C@]1(CC)CCc1ccccc1 1620541298 OYUBYHVTDMOCNW-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ncc(-c2ccc(C)cc2)o1 1620640809 CJSVCLJNUHRPTL-KRWDZBQOSA-N 296.414 4.581 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H]2CC[C@H]1OC2 1620657285 NFONCKQURBDOHV-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCC(C)(C)C)CCCCC1 1631954652 HUKSTFICZIIWRQ-HNNXBMFYSA-N 294.483 4.779 30 10 CJEE C=CCN(CCCOc1ccc2ccccc2c1)C(C)(C)C 1643856992 DIUVGDATQCTDNR-UHFFFAOYSA-N 297.442 4.895 30 10 CJEE C=CCC[C@H](CC)NCc1ccnc(-c2ccccc2)c1 1652920598 IBGZOJPLRWBJNY-SFHVURJKSA-N 280.415 4.583 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(Cc2nc(C)no2)cc1 1653180885 GCLQMASNRSLBGG-CQSZACIVSA-N 299.418 4.516 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(c3cccc(Cl)c3)CC2)C1 1656560610 QHLKYWKZSPQBNR-PBHICJAKSA-N 289.850 4.706 30 10 CJEE C=CCCSCCNCc1ccc(C2CCCC2)cc1 1656586071 HBAZPPXXNYLEJA-UHFFFAOYSA-N 289.488 4.743 30 10 CJEE C=CC[C@H]1N(Cc2cc3ccccc3[nH]2)CCCC1(C)C 1657930687 FLVPIIKNIPNPAM-GOSISDBHSA-N 282.431 4.735 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)C1 1661217592 KCCOPNJLKJSRGZ-OAHLLOKOSA-N 298.430 4.774 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CC[C@H](c2cccc(F)c2)C1 1664565579 DXZGVUCQUDTTPC-SZMVWBNQSA-N 275.411 4.796 30 10 CJEE C=C(C)c1cccc(N[C@@H](c2nc[nH]n2)C2CCCCC2)c1 1665853700 QIELUFRUSGIDNP-QGZVFWFLSA-N 296.418 4.571 30 10 CJEE C=CC(C)(C)CCCNC(=O)NC(CC(C)C)CC(C)C 1678392113 ZDRCHHMSDJTIPS-UHFFFAOYSA-N 296.499 4.739 30 10 CJEE C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@H]1CCC 1680958828 ASPIEJVLJZRQKW-BBWFWOEESA-N 294.483 4.637 30 10 CJEE C#Cc1ccc(NC(=O)NC2CCC(CC)(CC)CC2)cc1 1681090090 CYTSHZPIRXSLBC-UHFFFAOYSA-N 298.430 4.538 30 10 CJEE CCC(C)=NNc1nc(-c2ccc(C)cc2)c(C)s1 1772743215 GKTSOAHSMAAJHM-UHFFFAOYSA-N 273.405 4.625 30 10 CJEE CCCCCCCCCCNC(=O)Cc1ccc(C)cc1 1865991763 WXBZHDJCKPOJGI-UHFFFAOYSA-N 289.463 4.794 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(F)c(Cl)c2)C1 1883480497 SMPGVKXGUDYILD-CYBMUJFWSA-N 281.802 4.657 30 10 CJEE CCCCCCCN(C)c1cccc(Cl)c1[C@H](C)O 1887119848 OEXUESCTOBYABJ-ZDUSSCGKSA-N 283.843 4.800 30 10 CJEE CCCN(Cc1ccccc1)c1cc(CC)ccc1C#N 1887715500 DOJCQXDWGWRUEG-UHFFFAOYSA-N 278.399 4.537 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1CC1(C)C)NCCC 1888682830 RXPSKQGJOOJGRC-IAGOWNOFSA-N 257.421 4.504 30 10 CJEE CCCN(C1CCCCC1)[C@H]1CCCCC[C@@H]1C#N 1888740092 SQLCRVVSGBIOCL-WBVHZDCISA-N 262.441 4.504 30 10 CJEE CCCCCCCCOc1cccc([C@@H](O)CC)c1 1890005845 UMEDICHAXDCLJE-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE C=C[C@@H](N[C@H](CC)c1ccc(CC)cc1)C1CCC1 1892926238 IWGVJXXKPAVAFL-QZTJIDSGSA-N 257.421 4.644 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1CC2(CCCCC2)C1 1912617410 JNDWEDASIAVSCF-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCC2(CCCCC2)C1 1915904929 JTRIKFSLIUGYIG-MRXNPFEDSA-N 268.404 4.782 30 10 CJEE CCSc1cccc(N(C)[C@@H]2CCC(C)(C)C2)c1C#N 1916143409 ARRUYCJOIJCUOW-CYBMUJFWSA-N 288.460 4.685 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)CC[C@@H]2C[C@@H]2C1 1917624748 HCCALVYPNZXCBM-NUJGCVRESA-N 280.452 4.637 30 10 CJEE CC[C@@](O)(c1ccc(Cl)cc1)C1(C#N)CCC(C)CC1 1921035184 YKNLYSNXLRKJGZ-QWFMPGPPSA-N 291.822 4.658 30 10 CJEE CCCCCCCCCOC[C@H]1CC[C@H](CN)CC1 1922653234 QLLTYUSDMRFCIR-QAQDUYKDSA-N 269.473 4.519 30 10 CJEE C=C(COCc1ccccc1)[C@H](CC(CC)CC)NCC 1926194094 RFKHIBXBLCROMM-IBGZPJMESA-N 289.463 4.564 30 10 CJEE CC[C@H](CC1CC1)N=C1N[C@H](CC2CCCCC2)CS1 1926708517 OBADSWTWANUGSV-HZPDHXFCSA-N 294.508 4.597 30 10 CJEE C=C(C)CCCN[C@@H](C)c1sccc1Br 1927823808 APNZMYWFVOBUNL-JTQLQIEISA-N 288.254 4.518 30 10 CJEE Cc1cccc(C#N)c1N(Cc1ccccc1)C1CCCC1 1932027972 VNRYFACEZWIIQW-UHFFFAOYSA-N 290.410 4.816 30 10 CJEE Cc1cccc(CSC[C@H](CS)C2CCC2)c1 1942148882 BTJUVEVKRDUNGC-HNNXBMFYSA-N 266.475 4.574 30 10 CJEE CC(C)[C@H](CC#N)Nc1cc(Cl)c(Cl)c(Cl)c1 1944273487 XUKJOTIWGITQTB-NSHDSACASA-N 291.609 4.997 30 10 CJEE C=CCCN(C)[C@@H](CC)c1ccc(C(F)(F)F)cc1 1962794018 KMUASKFKGZDTBY-AWEZNQCLSA-N 271.326 4.664 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1C(F)(F)F 1963222675 LJAPNKYXAPIKSZ-CYBMUJFWSA-N 265.363 4.764 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 1964452481 HELMTGSHMLIZER-HIFRSBDPSA-N 283.337 4.540 30 10 CJEE C[C@@H]1CCC[C@@H](CCOc2cccc(Cl)c2C#N)C1 1970659457 VJLFRWZUDQQENK-OLZOCXBDSA-N 277.795 4.807 30 10 CJEE CSc1ccc(CNc2cc(Cl)ccc2C#N)s1 1973403951 OHXHSCOXCYBHRB-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=CCCCC[C@H](O)c1cc(C)c(Br)s1 1975362807 HUTBGIFBVPTWEH-JTQLQIEISA-N 289.238 4.599 30 10 CJEE C=C1CC(C[C@@](C)(N)c2cc(Cl)sc2Cl)C1 1991192850 KWKDZZLECFIBKF-GFCCVEGCSA-N 276.232 4.585 30 10 CJEE C=CCC[C@@H](C)N1CCCc2cccc(Br)c21 1996462644 DKRXECDSOXNUON-GFCCVEGCSA-N 294.236 4.556 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1sc(C)cc1C 2000383019 UHZCSKUGJONODW-RISCZKNCSA-N 251.439 4.618 30 10 CJEE Cc1cccc(CSC[C@H](CS)CC2CC2)c1 2003377501 QSRTZSIGLLKPDE-HNNXBMFYSA-N 266.475 4.574 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1ccc(Cl)c(Cl)c1 2023187206 OZKCNCREPHNIOT-IUCAKERBSA-N 267.155 4.532 30 10 CJEE CCCCCC#CCNc1ccc(F)c(Br)c1 2024348386 BAXLPTKQVQTKNR-UHFFFAOYSA-N 298.199 4.584 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2CCC[C@@H]21 2028769898 BBHISRJKVNRRFW-IKGGRYGDSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@H](O)c1ccc(C(F)(F)F)o1 2030059187 VFOHQIVEPDYUGF-JTQLQIEISA-N 264.287 4.692 30 10 CJEE CCCCCCC[C@H](O)c1coc(C(F)(F)F)c1 2032835302 MFNKPYTZANMTDB-NSHDSACASA-N 264.287 4.692 30 10 CJEE C=C([C@H](NCC)c1ccc(Cl)c(C)c1)C(C)(C)C 2035421686 WDQGOVBSCGASKO-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2CC(F)(F)C2)CC1 2039388186 ZRDFJVUOSJRBSS-CQSZACIVSA-N 258.352 4.597 30 10 CJEE C=C1CCC(n2c(S)nc3cccc(Cl)c32)CC1 2039650247 NAVLLEDQVCROEC-UHFFFAOYSA-N 278.808 4.650 30 10 CJEE C=CCC[C@@H](C)[C@H](O)C1CC(C)(C)CC(C)(C)C1 2040518663 IWJNPEJGQHQZNR-HIFRSBDPSA-N 252.442 4.802 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccc(SCC)cc1 2040525362 ITOIBYSEYBQTOW-BBRMVZONSA-N 263.450 4.661 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1c(Cl)cncc1Cl 2045703605 DIMWAHWIDKQIJE-IINYFYTJSA-N 287.234 4.641 30 10 CJEE CCC(C#N)(CC)[C@](C)(O)c1c(Cl)cccc1Cl 2045996917 GDJXFMSMQBIFMK-CYBMUJFWSA-N 286.202 4.531 30 10 CJEE CCCC[C@](C#N)(CC)[C@](O)(CC)C[C@@H](C)CC 2045997646 MFBLDSDQFXVNQP-JYJNAYRXSA-N 253.430 4.674 30 10 CJEE CCCC[C@@](C)(C#N)C[C@@H]1CSc2ccccc21 2046000325 NHYSUXGTKAVBBT-CZUORRHYSA-N 259.418 4.986 30 10 CJEE C=C(C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1)OC 2051376380 MMHLGPAUKSHHKF-CQSZACIVSA-N 288.218 4.584 30 10 CJEE CCCCCCCC[C@@H](NC)C1(C2CCC2)CC1 2051909343 BRGFUIBOWOOWOL-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCCCCCN(C)[C@H](C)c1ccc(F)cc1 2052296024 XJJYRMVULGJZFQ-CQSZACIVSA-N 251.389 4.789 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)C1(C)CCCCCCC1 2052500087 DBKLQSYQHOFTIU-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@H](C)C[C@@H](C)C(F)(F)F 2057778291 XVIDNPHXIBGMQL-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1CCC[C@@H](C)C1 2059123462 KSXJMVAPVHNNBE-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE FC(F)Oc1cc(C(F)F)c(C(F)(F)F)cc1S 2060211413 BRGXNJTVZOEFJK-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE CSC1(C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCC1 2061198874 GTCDFPDZZFPPGF-ZDUSSCGKSA-N 266.450 4.614 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2063510392 OTYJYDQCALCSDQ-LTIDMASMSA-N 251.458 4.761 30 10 CJEE CCC[C@H](C)CNc1cccc(SCC)c1C#N 2066305229 QWBBRXYDYPDREM-LBPRGKRZSA-N 262.422 4.518 30 10 CJEE CCCCCCCC[C@@]1(F)CCN[C@H]1C(C)(C)C 2067839284 QDCIYIJOOZBBKX-GOEBONIOSA-N 257.437 4.853 30 10 CJEE CCc1ccc(C#N)c(Oc2ccccc2Cl)c1 2068516659 VPDNNDMEHRRZKA-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC2(C(C)(C)C)CCC2)C1 2071910651 LXUORNWNPHBSLC-ZBFHGGJFSA-N 250.426 4.988 30 10 CJEE CCCC1CCC(C[C@]2(C=O)CCC2(C)C)CC1 2072777385 HUDPEUNUSPFUCY-DQPZFDDXSA-N 250.426 4.988 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CC[C@H](C)CC1 2072804212 PVSZCLAXPMXBNN-BFYDXBDKSA-N 251.458 4.783 30 10 CJEE CC#CCCCCN[C@H](C)c1ccc(Cl)cc1Cl 2075370738 RAKIPRVHZTZRGI-GFCCVEGCSA-N 284.230 4.838 30 10 CJEE C=C(C)CCC1(O)CCC2(CCCCCC2)CC1 2075717648 PCSJWEXYCOTZEE-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@@](C)(O)c1c(F)cccc1Cl 2075724332 KUUZIXFTMKSWGK-OAHLLOKOSA-N 270.775 4.823 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1cc(Cl)cc(Cl)c1 2076574919 VLBYCWHXRIWUOB-HNNXBMFYSA-N 278.182 4.707 30 10 CJEE CC(F)(F)CCCC[C@@]1(C#N)CCCC(F)(F)C1 2081936977 HFTNEIXSRMPAAN-GFCCVEGCSA-N 265.294 4.921 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H]1CCSC1 2085840292 WVTHRFZPUPNPDO-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C=CCCCCCC[C@H](N)c1ncsc1C1CC1 2085856550 NUGWMHPQJIGJFX-ZDUSSCGKSA-N 264.438 4.547 30 10 CJEE C=CCCCCCCCC[C@@](C)(N)[C@H]1CCSC1 2086260964 GKMAOHVAQIDZSZ-JKSUJKDBSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCCC(=O)CC[C@@H](C)OC 2086282112 DPNMHSFZRPUAJO-OAHLLOKOSA-N 254.414 4.677 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@H]2CCCC[C@H]2CO1 2088186395 OCRXJGKOVCGRGP-GVDBMIGSSA-N 267.457 4.632 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@H]21 2089216307 ITRGANUDMXSWNX-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H](N)[C@@H](C)CC 2093207159 LKZRABWGFGWZBP-YESZJQIVSA-N 271.489 4.642 30 10 CJEE CC(C)[C@H]1CCC(=O)[C@@H](CC#CC2CCCCC2)C1 2093459837 KWMCKBXSFANVHS-IRXDYDNUSA-N 260.421 4.602 30 10 CJEE C=C([C@H](CCCc1ccccc1)NCC)C(C)(C)C 2096625217 QJKVXRMKSWUWSO-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCCC12CCC2 2097113283 SAEOIPYLZDWYJN-IXDOHACOSA-N 261.453 4.824 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cc[nH]n1 2097809828 UVVSWDUPZVYGEG-INIZCTEOSA-N 266.429 4.754 30 10 CJEE CCCCCCCCCCO[C@H]1C[C@H](CN)C1(C)C 2097920422 MCUAFPITIGYOSI-CVEARBPZSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1Cc2ccccc21 2098369125 ITMOJTGNXHZZBA-AEFFLSMTSA-N 259.437 4.794 30 10 CJEE C=CCCCCC[C@H](N)c1ccccc1OC(C)C 2098393329 VKXJUAAJRDZTDU-INIZCTEOSA-N 261.409 4.610 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CC23CCCCC3)CC1 2100459496 ZZBYCTZABIOVRM-SJORKVTESA-N 261.453 4.681 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccsc1C(F)(F)F 2101426697 HIZNYRKKXLTYHM-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE C[C@@H]1C[C@](C#N)(CCC=Cc2ccccc2)CCS1 2103472753 AHGIPEDEHWPQKR-WBVHZDCISA-N 271.429 4.905 30 10 CJEE C=C1CCC(CC(=O)c2snc3ccccc23)CC1 2103689673 QBVMEBWZNHLHQT-UHFFFAOYSA-N 271.385 4.616 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)c1cc(C(F)(F)F)cs1 2108206125 HQZZBJQLFFWMHC-VXGBXAGGSA-N 291.338 4.520 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H]1CCN1 2109543580 CYDNFUVHNPRSAT-INIZCTEOSA-N 267.457 4.619 30 10 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283.525 4.623 30 10 CJEE CC(C)C[C@H](CS)CN1CC[C@H](C)c2ccccc21 2353835769 OEYVOUJXXIXKAJ-GJZGRUSLSA-N 277.477 4.592 30 10 CJEE CC(C)C[C@H](CS)CN(C)CCCCCCC1CC1 2353845171 LLNPIVATZYLCPJ-KRWDZBQOSA-N 285.541 4.871 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1 2354984976 FSYQTJGIBXEPKL-XSLAGTTESA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1C[C@@H]2C[C@@H]2CO1 2358323259 IEWJCKVKHCYUAT-LZLYRXPVSA-N 278.436 4.677 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CC[C@@H]1C[C@@H]1CC)NC 2358718544 SARBLRXGWRVHHD-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(F)cc1C 2360205856 QULWZOVSNVOHEV-KRWDZBQOSA-N 293.451 4.649 30 10 CJEE C=CCC(CC=C)O[C@H]1CCCCCC[C@H]1NCCC 2360218567 WVXUGJMJAQYHPD-MSOLQXFVSA-N 279.468 4.615 30 10 CJEE O=C1/C(=C/c2ccc(Cl)cc2)CC[C@@H]1C1CCCC1 247875 ZQIKDWRXSACIAJ-WSYSLRRZSA-N 274.791 4.893 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)NC2CCCCCC2)cc1 20175432 MQGFRYDXCHXPIE-SFHVURJKSA-N 284.447 4.861 30 10 CJEE CC(C)CCCCCCN[C@@H](C)c1cccc(C#N)c1 37239532 JARWDNQXELVHAG-INIZCTEOSA-N 272.436 4.815 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)Cc1ccc(C(C)C)cc1 57744192 DRKYEULAEHKEBW-SFHVURJKSA-N 293.410 4.977 30 10 CJEE Cc1ccc(N/N=C/c2ccc(C(C)(C)C)cc2)cc1 59156745 TZJIVWZQUFUCRC-CPNJWEJPSA-N 266.388 4.739 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(OC)cc1OC 59290913 TZMMRPMITLZZDT-QGZVFWFLSA-N 293.451 4.715 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1nc2ccccc2o1 62790285 AOBMHENBEHEDIH-UHFFFAOYSA-N 286.743 4.504 30 10 CJEE CCc1oc(-c2ccccc2O[C@H](C)CC)cc1C#N 77076820 MEFAAXLQHZFUEH-GFCCVEGCSA-N 269.344 4.558 30 10 CJEE N#Cc1ccc2c(c1)nc(-c1ccc(Cl)s1)n2C1CC1 86636639 XALACSOMDCIIJT-UHFFFAOYSA-N 299.786 4.625 30 10 CJEE Cc1ccc(SCC[C@H](C)CCS)c(C)c1 87096198 VVUAZCRXNSVFSA-LLVKDONJSA-N 254.464 4.742 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1c(C)cc(C#N)cc1C 88154580 ZAHGWKFFHRNCGS-JKSUJKDBSA-N 257.377 4.523 30 10 CJEE CCCCCCCN1C[C@H](C(C)C)Nc2ccccc21 106600572 XXRRVTKXCRMFOR-QGZVFWFLSA-N 274.452 4.914 30 10 CJEE C=CCOc1ccccc1CNc1c(C)cc(C)cc1C 109898676 ZVWWVCNSEZOMST-UHFFFAOYSA-N 281.399 4.789 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@](C#N)(Nc2ccccc2Cl)C1 110028954 INFSCTNPBVSJGI-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 110255613 FMDPYRQYQKGMRN-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE C[C@@H]1Cc2ccccc2N(c2ccc(C#N)c(Cl)c2)C1 110259468 OIVGYTKRWKLJHR-GFCCVEGCSA-N 282.774 4.542 30 10 CJEE CCCCCCCCSc1nc(C)c(C(=O)O)s1 112720902 YAKCOOAZTOENPA-UHFFFAOYSA-N 287.450 4.602 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cccc(OC)c1 112893704 NOSLCCSHTFXJHK-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCOc1c(C)cc(C(N)=S)cc1C 115886521 JMSXZBGDINWYBU-UHFFFAOYSA-N 293.476 4.677 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)c1ccncc1 117692129 MSNLGYPCUVKXIT-RDJZCZTQSA-N 263.425 4.687 30 10 CJEE CCCCCCCC[C@H](O)C(CC)(CC)N(CC)CC 118169507 DQMKHMFOXZYBSO-KRWDZBQOSA-N 285.516 4.999 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(C)c1 122380927 YKCDRUHIPGWDFR-MRXNPFEDSA-N 282.859 4.903 30 10 CJEE CCCCCCCCCCC[C@H](NCC)c1cnn(C)c1 126263733 QGCMKPUJHLAIQY-SFHVURJKSA-N 293.499 4.992 30 10 CJEE CCCCCCCCCCN1CC[C@@H](NCC)C[C@@H]1C 129389555 UPZCTGXKIKOJCV-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC[C@@H](NN)C(C)(C)C 132744564 CNIRPSQDAHOZJT-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE C=C(CN[C@@H](CCC)c1cccs1)c1ccccc1 134361719 ZKVCNQPSNDMALF-INIZCTEOSA-N 271.429 4.892 30 10 CJEE C=CCCC[C@H](O)c1cc2cccc(Br)c2o1 136386152 NTWRWBQKLIYMTN-LBPRGKRZSA-N 295.176 4.585 30 10 CJEE CCCCCCCCNC(=O)c1c(O)ccc2ccccc12 140482701 KAEPFAXNBUCTAZ-UHFFFAOYSA-N 299.414 4.636 30 10 CJEE C=C(C)C[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 156321118 HPOYFOSVWHWMQX-CABCVRRESA-N 251.458 4.783 30 10 CJEE CC(C)(CS)CSCc1ccc(Cl)cc1 159187115 HDHBBGOUPKXXMM-UHFFFAOYSA-N 260.855 4.529 30 10 CJEE CCCCCCCC[C@H](O)c1cccc2c1OCCC2 159751098 KEUFKUJEQSSLCO-KRWDZBQOSA-N 276.420 4.796 30 10 CJEE CCCCCCCCCC[C@@]1(CN)CCCS1 166495236 UECDIMKVSBMVMO-HNNXBMFYSA-N 257.487 4.742 30 10 CJEE CCSc1cccc(NCc2ccccc2CC)c1C#N 167599777 SFWJUPMCSNZGBJ-UHFFFAOYSA-N 296.439 4.845 30 10 CJEE C/C(=N\C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C 195751514 MVLQTPQWLDQSJY-SDNWHVSQSA-N 257.570 4.832 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(N(C)C)CCC[C@@H](C)C1 217489446 OQHCJBNRVVOUPV-QYZOEREBSA-N 297.527 4.999 30 10 CJEE SCC1(CN2CCC[C@H]3CCC[C@H]32)CCCCCC1 227250019 AQHSNQALYJLFDC-HZPDHXFCSA-N 281.509 4.521 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 227281301 CQXDJHANPTUPAK-CAOSSQGBSA-N 272.498 4.810 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 227532047 XTENQSSJFMXOJK-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)c(F)c1 228422389 ZULSYVDUDVEJOH-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE CCCCCCCCCOc1cc(C#N)ccc1C 232335466 NPEBCHMASYNWLU-UHFFFAOYSA-N 259.393 4.996 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 233162501 XOKQTYBTXVEWGW-LLVKDONJSA-N 290.259 4.899 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1ccccc1Br 233282968 BLQQUJIYHQSVEA-MFKMUULPSA-N 298.249 4.870 30 10 CJEE C=CCCCCC[C@@H](Cc1cc(C)ccc1C)NC 234426344 YXOZZVFWQKYRLW-SFHVURJKSA-N 259.437 4.570 30 10 CJEE C=C[C@@H](C)Nc1ccc2cc(Br)ccc2c1 235282884 FUQXAINVBLYXHO-SNVBAGLBSA-N 276.177 4.589 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(F)cc1Cl 236225754 TXESGQYJQGDMMS-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC(C)C 250558922 GIQSKTZRGIEJFJ-IXDOHACOSA-N 265.485 4.887 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H](C)O[C@H](C)C1 250844054 ZHQHKLRBYBIOLO-BJWYYQGGSA-N 269.473 4.673 30 10 CJEE CCCCCCCCCOc1cccc2c1CCC2=NO 252430342 JICYNFMZTYABOP-UHFFFAOYSA-N 289.419 4.941 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](O)(CC)c2ccccc2F)C1 252790173 YPMSNJVSAJENSO-OLMNPRSZSA-N 289.394 4.533 30 10 CJEE CC(C)Sc1ccc(C[C@@H](C)C#N)cc1Br 260264705 APPSTQQISSABKE-SNVBAGLBSA-N 298.249 4.652 30 10 CJEE N#CC[C@H](c1ccc2nc(C3CC3)sc2c1)C1CC1 260344603 FBOQMIWVLYUWRB-ZDUSSCGKSA-N 268.385 4.581 30 10 CJEE CSc1cccc(Br)c1[C@H](CC#N)C1CC1 260683242 SDOFJMMDUVPOFY-SNVBAGLBSA-N 296.233 4.578 30 10 CJEE CCCCCCCCNc1cc(Cl)nc(Cl)n1 310084885 ACEVQYXDDKNAIG-UHFFFAOYSA-N 276.211 4.556 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC2CCC1CC2 311199859 HCYUHATUHAYWKS-OTBWCIGPSA-N 251.458 4.904 30 10 CJEE CC[C@@H]1CCC[C@@H](C2(C#N)Cc3ccccc3C2)C1 311347487 CPTGHUCDNIYBAK-RHSMWYFYSA-N 253.389 4.512 30 10 CJEE CC(C)[C@@](C)(O)CC1(C#N)CCC(C(C)(C)C)CC1 311511639 BVOYMMUJJDCVDG-WIHSUSGWSA-N 265.441 4.530 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(C)c(C)c1 312204804 ARWCCWUIMZACMQ-SFHVURJKSA-N 271.448 4.784 30 10 CJEE CCCCCCCC(=O)[C@@H]1C(=O)c2ccccc2[C@H]1C 313500096 KLIIJRYGRMKFLA-CXAGYDPISA-N 272.388 4.532 30 10 CJEE C=CCC[C@]1(CNCC(C)C)CCC[C@H](CC)C1 318181595 OOSHHHVLLSYPEX-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)C2CCC(C(C)C)CC2)C1 380362075 NYEPTXFZWSKXJT-ZTJXHEDMSA-N 277.452 4.530 30 10 CJEE C=CCC(C)(C)CN[C@@H](CC)c1cccc(Cl)c1 386901362 YYDXAMFZHNNMBH-HNNXBMFYSA-N 265.828 4.983 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)C[C@H](CS)C(C)(C)C 387398428 KMKCZARPQZJIQO-DOTOQJQBSA-N 293.520 4.879 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H]2CCCC[C@H]2C)CC1 394835561 CAHNJYHVLIJNAH-DPKKHUKBSA-N 277.452 4.674 30 10 CJEE CC[C@H](CC#N)Nc1cc(Cl)c(Cl)c(Cl)c1 404345554 VYIXDFRYXKUVNA-SSDOTTSWSA-N 277.582 4.751 30 10 CJEE C[C@](C#N)(Cc1cccc(Cl)c1F)c1ccccc1 405728042 WLNVMIIIHNNAIG-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1OCCC 464440683 KZJYRSDFAVCDGW-GFCCVEGCSA-N 295.810 4.670 30 10 CJEE C=CCCc1ccccc1NC(=O)N1[C@@H](C)CC[C@H]1CC 505063186 YICSCSASVWTIQB-GOEBONIOSA-N 286.419 4.600 30 10 CJEE CCCOc1ccccc1N[C@H](C)c1ccc(C#N)cc1F 512290213 XUDOFTJNNWWWBE-CYBMUJFWSA-N 298.361 4.659 30 10 CJEE COc1ccc(N=C(C)c2ccc(C(F)(F)F)cc2)cc1 606528180 NFFJBPZOQXLZAQ-UHFFFAOYSA-N 293.288 4.855 30 10 CJEE CCCCCCCCC[C@@H](N)C1CCC(OC)CC1 686369765 XRQXWPPGTBMRAF-OFLPRAFFSA-N 269.473 4.660 30 10 CJEE C#CCCCCCOc1cccc(OCc2ccccc2)c1 686683433 ZLKGENMQEXIGIV-UHFFFAOYSA-N 294.394 4.838 30 10 CJEE C#CCCCCC[C@@H](Cc1ccccc1Cl)NCCC 686697415 LOWKZDCFGDEFPK-KRWDZBQOSA-N 291.866 4.834 30 10 CJEE C#CCCCCCC(=O)c1c(Cl)cccc1Cl 686697742 QUUIARHDEBNJRL-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE CC(C)C1CCC(C=O)(CCCC2CCC2)CC1 688815976 FVBWSTIJFCODMZ-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCOC1)NCCC 689585518 XEJKFGWFJAWVCJ-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/CCCC2CCCCC2)N1 694078958 UFXRLYUWLSTJSA-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE C=CC(C)(C)CCN[C@H](CC)c1ccc(Cl)cc1 701862981 AIYYSYJRPJHMFN-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE CCCCCCCCCCCCNC1CSC1 702028628 VNRPCPSPSXSSHY-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@H]1O 708713991 ZRKHWSUEFLEEAA-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE C[C@@H](CC1CCCC1)Nc1ccc(C#N)c(Cl)c1 709672030 MWCPDUQGLZMSGO-NSHDSACASA-N 262.784 4.592 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 710644602 YQIAJANJZPZHLP-RRFJBIMHSA-N 271.876 4.960 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1(CC(C)C)CCCC1 715753512 DFEJNTCHUIRGQY-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@]1(CNCC(C)C)CC[C@H](CC)C1 715794717 CEANTQRLWODZMF-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CC[C@H](C#N)n1ccc2cc(OCc3ccccc3)ccc21 720903627 DCRMIRBWRINVQD-QGZVFWFLSA-N 290.366 4.695 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H](COC)C(C)C 721949255 KHQAOFZFTVQANR-DLBZAZTESA-N 272.473 4.797 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cccc(F)c2C)CC1 724560408 PRCOAKXVMCTSEX-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=C1CCC(CN[C@H]2CCCC23CCCCC3)CC1 724567450 XXJVVGPJWPDTHA-KRWDZBQOSA-N 261.453 4.825 30 10 CJEE C=C1CCC(C[C@@H](O)c2cscc2C(F)F)CC1 724577662 SBEMOTFVPYEKFR-CYBMUJFWSA-N 272.360 4.856 30 10 CJEE CCCC[C@H](C)/N=C1/N[C@H](C2CCCCC2)CCS1 725084474 GFFUXSMJPWWZMO-ZFWWWQNUSA-N 282.497 4.597 30 10 CJEE CCC1(C/N=C2/N[C@H](C3CCCCC3)CCS2)CCC1 725106213 UIPVJZPCFLSKDJ-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE N#CCc1cc(C(F)(F)F)cc2cc(Cl)sc12 725286476 DDZFAZDRNUPUOT-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE Cc1ccc(C)c(N=Cc2ccc(Br)cc2)c1 1084291475 FMKOJKHKJPJMAX-UHFFFAOYSA-N 288.188 4.817 30 10 CJEE C=CCCC[C@@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 1125524791 KDDOGAXWKLFPPT-IEBWSBKVSA-N 297.442 4.599 30 10 CJEE CCC(CC)CN(CCC#N)C(=O)CC1(C)CCCCC1 1136679251 FZHVLLBNMPHYHK-UHFFFAOYSA-N 292.467 4.525 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)=C2CCCC2)c1 1180114925 OPFSSPCTRIRSRP-UHFFFAOYSA-N 255.361 4.549 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@H]2CCCCC(F)(F)C2)C1 1202587485 MMNSUJROPBAHCL-QLFBSQMISA-N 271.395 4.536 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1ccc(SC)cc1 1205548326 UEGXMJHNKCYZDB-DZGCQCFKSA-N 263.450 4.804 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)c1ccccc1 1265133219 FCRNHNPCQZJJAZ-QGZVFWFLSA-N 299.458 4.775 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CCc2ccccc2)CCCCC1 1348483450 XXVBIHOCNAQZPT-QGZVFWFLSA-N 299.458 4.651 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@@H](CC)CCCC)c1 1359978773 JREBVDLRJAYXAU-KRWDZBQOSA-N 285.431 4.627 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1435239950 HOFBJVVJGKMZTD-OKZBNKHCSA-N 291.479 4.798 30 10 CJEE C=C[C@H](OC(=O)c1scc(C)c1Cl)c1ccccc1 1437641814 RDPJVQURMDZHTI-LBPRGKRZSA-N 292.787 4.794 30 10 CJEE CCCCCCCCCCN1CC[C@@H]([C@H]2CCCO2)C1 1460748055 CCAZIMJVCXQLSC-QZTJIDSGSA-N 281.484 4.628 30 10 CJEE C=CCC1(NC(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 1465509601 XUGYQHJXRREZEM-UHFFFAOYSA-N 297.402 4.568 30 10 CJEE C=CC(C)(C)CN[C@H]1CCCC[C@H](c2ccccc2)C1 1474149198 KGLASKUSXWSENU-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C=CC1(CC(=O)Nc2cnc(Cl)cc2C)CCCCC1 1519269061 ITPGFSUVGONEHC-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 1524083532 YJAQNUDEEBKNAO-AWEZNQCLSA-N 285.309 4.555 30 10 CJEE C=CCC1(NC(=O)[C@H](C)Cc2ccccc2C)CCCCC1 1526049644 WMUZKVXFZUBLBK-QGZVFWFLSA-N 299.458 4.569 30 10 CJEE C=CCN(C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C)C(C)(C)C 1532929681 OSQHLIXIBXXOGP-IBWGAGNYSA-N 291.479 4.818 30 10 CJEE C=CCC(F)(F)C(=O)O[C@@H](CC)c1cccc(Cl)c1 1536177452 MNUJQJXOERSHBO-LBPRGKRZSA-N 288.721 4.546 30 10 CJEE C=CCCCCCN(C)Cc1ccc(C(C)C)nc1CC 1559553845 NEZKNFJDXOCYRQ-UHFFFAOYSA-N 288.479 4.946 30 10 CJEE C=CC(C)(C)CCCNCc1coc2ccccc12 1560997515 WOHSKYZYIHGOQA-UHFFFAOYSA-N 257.377 4.515 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC[C@@]3(C)CC)cc21 1561028801 VHKKXFVZLFSXJR-ZWKOTPCHSA-N 283.419 4.603 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1C[C@H](c2ccccc2F)C1 1621293887 OJZHNDMCDCQMJF-BZUAXINKSA-N 275.411 4.796 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)[C@H]1CC2CCC1CC2 1621418211 FCAAOYBTCWSILF-VLMYXLFRSA-N 263.469 4.926 30 10 CJEE C=CCC(C)(C)CNC(=O)N[C@H](CCC(C)C)C(C)(C)C 1631768734 VKZIRZCSSVNGCF-OAHLLOKOSA-N 296.499 4.739 30 10 CJEE C=CC[C@H]1CCCN(Cc2c(Cl)oc3ccccc23)C1 1647401954 BKBMYOZBKMQXRV-ZDUSSCGKSA-N 289.806 4.874 30 10 CJEE C#Cc1cccc(N(CC)CC[C@@H]2CCC[C@H](C)C2)c1 1653762624 YAVIYCFBWHGMJM-WMZOPIPTSA-N 269.432 4.711 30 10 CJEE C=CC(C)(C)CCCNCc1cnc(C2CCCC2)s1 1656906693 XRWGFPSGBMSMJG-UHFFFAOYSA-N 292.492 4.883 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2CC(C)C)C1 1657718014 VMAUYXMVDGVCBV-APWZRJJASA-N 271.448 4.720 30 10 CJEE C#Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 1658123435 PUUBCVXSFDKAAY-UHFFFAOYSA-N 283.374 4.947 30 10 CJEE C=CC[C@H]1N(CC[C@@H]2CC2(Cl)Cl)CCCC1(C)C 1658466808 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CN[C@@H](CC#CC1CCCCC1)c1csc(C2CC2)c1 2283050185 UGTAGIHDXMQVQM-KRWDZBQOSA-N 287.472 4.860 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](O)c1cc(C)ccc1Cl 2283247493 VIHAKKGQSDIRAH-SJORKVTESA-N 297.870 4.630 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCCC[C@H]1C(C)(C)C 2284075171 DBXIQCROWXILNX-QFBILLFUSA-N 276.464 4.950 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1sccc1F 2284161964 YROCZEJYBCIFHX-HNNXBMFYSA-N 293.451 4.924 30 10 CJEE CC(C)(C)C#CC=CCN1CCCC12CCCCCC2 2284170601 JKKYEDXGVJKTAK-UHFFFAOYSA-N 273.464 4.781 30 10 CJEE CC(C)CN(CC=CC#CC(C)(C)C)c1ccccc1 2284182143 ZQGQKSGEVCLNKZ-UHFFFAOYSA-N 269.432 4.755 30 10 CJEE CO[C@@H]1C[C@](C#N)(CCCCC[C@@H]2C[C@H]2C)C12CCC2 2284943852 AGRBOPSZEXVRCE-VQHPVUNQSA-N 275.436 4.692 30 10 CJEE C=CCCCCCCCSc1cccc(C[C@@H](C)N)n1 2287091063 UPCFFBQCLHECGB-OAHLLOKOSA-N 292.492 4.590 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H](O)c1ccc(C(C)(C)C)s1 2287387760 KCDNNGWDHRLIJS-XJKSGUPXSA-N 295.492 4.543 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@]12CCCC[C@@H]1CC2 2288990783 BGSNRRIAYGJTJM-KZNAEPCWSA-N 291.555 4.596 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(C)cc(Cl)c1 2289699157 YZRKTFLIBOCABP-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H]1CCCCC12CC2 2289716129 UOLXYTCCHKIXDX-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H](C)[C@@H](C)CC 2290672010 RYJLESYWNIUYBD-XHSDSOJGSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCCC[C@](C)(OCC(=O)O)C1CC1 2291308272 SVJMFCINCRDGAN-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H]1C 2292485554 KIQDRWUSZAJADJ-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1CCC(F)CC1 2293376378 XQCJGQOKBFEUSZ-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)[C@@]1(C)CC=CCC1 2293570683 WOWBBBXCWZBQOY-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE CC(C)c1ccccc1[C@H](N)C#Cc1ccccc1Cl 2295220251 WHMKSGMLBPAOHA-GOSISDBHSA-N 283.802 4.515 30 10 CJEE C=C([C@H](Cc1ccc(Cl)c(F)c1)NCCC)C(C)(C)C 2295295458 AWCWNTJUPNRZJM-INIZCTEOSA-N 297.845 4.992 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccnn1CC 2295673052 DJTDSRCHWBERIK-MRXNPFEDSA-N 279.472 4.522 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C=C(C)C)NCC 2295679489 PTEUYSWSBJREEF-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@H](C)NCC12CC(C)(CO1)C2 2295691035 HXGANIMAKNWMOF-AOCRQIFASA-N 281.484 4.674 30 10 CJEE CC(=CC(=O)c1ccccc1)Nc1ccc(C)cc1C 2297351343 FJSFODYBOAAFIB-UHFFFAOYSA-N 265.356 4.502 30 10 CJEE C=CCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2302209140 FIHXANVZFMUWGY-GFCCVEGCSA-N 277.166 4.912 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(C)c1Cl 2304058112 ZAXHXHHPAIADAA-AWEZNQCLSA-N 251.801 4.511 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(F)F 2308742760 QGDGMEKRPQCRPA-MGPQQGTHSA-N 262.384 4.779 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@@H]1CC[C@H]1C(F)(F)F 2312205080 JWPAHEZAYZFUCI-LOWVWBTDSA-N 259.315 4.685 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@H](C2)C1 2314416776 QLJOGIJPEKBAGW-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1sccc1CC 2316738093 DBGKUNZSPCUIRY-OAHLLOKOSA-N 263.450 4.730 30 10 CJEE Cc1c(Cl)ccc(N[C@@H](CC#N)C(F)(F)F)c1Cl 2317785627 YJUWDVGZVOXEGJ-VIFPVBQESA-N 297.107 4.558 30 10 CJEE O=C1C=C(CCCc2cc(Cl)cc(Cl)c2)CCC1 2318659097 YLMKZNDALXTCQY-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccc2ccsc2c1 2319254271 BDLQAUNWYSAOHI-GDBMZVCRSA-N 257.402 4.518 30 10 CJEE C=C(C)C[C@H](CC[C@@H]1CCC[C@H](C)C1)NCCC 2319289720 WYYARDGBBCDVTF-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1CC(C)(C)[C@H]1C 2321103302 YMODRWLGJWTSHM-MPTYRVRUSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@H]1CC1(C)C)NC 2321117073 MQMJGPDFXGNMJC-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CCCC[C@](C#N)(CC)[C@H]1CCC[C@H]1OC(C)C 2321635248 ZRBUTXXSIGHZGX-XHSDSOJGSA-N 251.414 4.690 30 10 CJEE C#C[C@H](CCC)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327872356 HTRIJWHHIPVLAA-NWDGAFQWSA-N 284.230 4.754 30 10 CJEE CC1=C(C)C[C@@H](COC[C@H](CS)CC(C)C)CC1 2328529045 RXHZAXVRSODTOS-JKSUJKDBSA-N 270.482 4.732 30 10 CJEE CCC[C@@H](CS)COc1cc(F)cc(C(F)(F)F)c1 2335691574 COKRIDRUHWLUPH-SECBINFHSA-N 296.329 4.569 30 10 CJEE N#Cc1cc(Cl)ccc1NCCCC1=CCCCC1 2340966633 KBAWOLZWNORSAZ-UHFFFAOYSA-N 274.795 4.904 30 10 CJEE C=C1C[C@@H]1[C@H](CC1CC2(C1)CC(C)(C)C2)NCCC 2341884115 MAIMWPRXLXPMHX-HOTGVXAUSA-N 261.453 4.537 30 10 CJEE N#CC1(CC[C@H]2CC[C@@H]2C2CC2)CCC(F)(F)CC1 2342543099 ANVBQFCGADETRV-ZIAGYGMSSA-N 267.363 4.922 30 10 CJEE CCC#CC[C@@H](NCCC)c1cccc(C(C)C)c1 2343611246 RFHKSYFZTQESJA-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(C2CC2)C1)NCC 2344344456 SFWHXGGLQAWMLV-DQVOVIAYSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(F)cccc1F 2344375830 OMVBAWIGCCGXRM-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC1(C)CC(C(F)(F)F)C1 2344383418 SCCAFCVNKGRFKI-GNRIBBGQSA-N 277.374 4.675 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C)c(F)c1F 2344383605 JHNXBPOHSQEURY-CVEARBPZSA-N 267.363 4.526 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1nc(C)cc2sccc12 2344413049 YFKNLWQKUNQYEH-MRXNPFEDSA-N 273.401 4.780 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352823095 LRFABJGGLIWVRF-IGQOVBAYSA-N 277.374 4.545 30 10 CJEE FC(F)(F)CC1CCC(CC[C@@H]2CC[C@H]3O[C@@H]23)CC1 2353167206 MVXHHVNDXSQQFA-YAWVXEGQSA-N 276.342 4.703 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@@H]2CCCC[C@H]21 2353829917 HCKLMHIYTCJPAY-MWDXBVQZSA-N 284.509 4.954 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1COC)NC 2357014314 MHQAHBLPFGLFFT-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CC[C@@H]1CS/C(=N\c2ccccc2Oc2ccccc2)N1 35294468 PEUDMILWNXIRAU-CYBMUJFWSA-N 298.411 4.581 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCCOc2cccc(F)c2)c1 57695240 LIIHBDRVSKCAQZ-MRXNPFEDSA-N 297.373 4.909 30 10 CJEE CCc1cc(C[C@H](C#N)c2cccc(Cl)c2)ccc1OC 57762430 QPYHGYQADQHFHV-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCC(=O)c1ccc(SCc2ccc(C#N)cc2)cc1 58015774 ZTUGZXBAKUCLRJ-UHFFFAOYSA-N 295.407 4.833 30 10 CJEE CCC[C@@H](C)c1nc2cc(C#N)ccc2n1C(C)(C)C 86637138 FODNSYQYHWIEAZ-GFCCVEGCSA-N 269.392 4.567 30 10 CJEE COc1ccccc1N[C@]1(C#N)CCC[C@H](C(C)C)CC1 86949224 IIIDRQKJTNSXAK-MAUKXSAKSA-N 286.419 4.606 30 10 CJEE CCCC1CCC(C#N)(Cc2cccc([N+](=O)[O-])c2)CC1 87959352 ZEPLXWWSUSZAMT-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876024 WZPFOVOJXCFILJ-JOKDJRIQSA-N 277.452 4.674 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)C2CCCCCC2)CC1 91903843 WVOYXXHUQNZMEC-IIIMJFFVSA-N 277.452 4.674 30 10 CJEE C=CCSc1ccccc1N[C@H]1CSCC(C)(C)C1 94488226 ISBFQVQCGVQFTB-CYBMUJFWSA-N 293.501 4.908 30 10 CJEE CC(C)c1ccc(OC[C@H](CS)C(C)(C)C)cc1 94582576 KYMGHMQBXWJQFW-CQSZACIVSA-N 266.450 4.781 30 10 CJEE CCCCCCCNCCNc1cccc(Cl)c1C 100051244 TYTKWXQPOHGXPH-UHFFFAOYSA-N 282.859 4.620 30 10 CJEE CCOc1ccc(N/C=C\C(=O)c2ccc(C)c(C)c2)cc1 103030595 MRDBPRLQFZYFJM-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](C#N)(Nc2cccc(Cl)c2)C1 110028762 DWJAPNUUNPZBLY-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 110257933 FJBCNAIIIJIRCR-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCOc1ccc(Nc2cc(Cl)ccc2C#N)cc1 110258154 YNDBTSOYNODXSH-UHFFFAOYSA-N 286.762 4.744 30 10 CJEE CCCCCCCCc1nn(-c2ccccc2)c(N)c1C 115858235 FPUQMGWFHQNREF-UHFFFAOYSA-N 285.435 4.666 30 10 CJEE CCCCCCC[C@@H](NC)[C@](C)(CC)N1CCCCC1 118163905 JQFSSYJJUUMFHN-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCn1ccc([C@H](CC)NCCC)c1 118243301 CTXNCEINCJJUMN-KRWDZBQOSA-N 264.457 4.909 30 10 CJEE C=C(CNc1cc(Cl)ccc1F)c1ccccc1 134358449 BDKJJMIVNIWARX-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CCCCCC[C@H]1CC[C@H](B2OC(C)(C)C(C)(C)O2)S1 216645264 XCUIWQWJGSRYIU-UONOGXRCSA-N 298.301 4.852 30 10 CJEE C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 226592768 KNFIXJWGLWQEMO-CDMKHQONSA-N 296.197 4.606 30 10 CJEE C=CCSCCN[C@H](C)c1ccc(C(C)(C)C)cc1 231930469 SKULSEMHSRFVAL-CQSZACIVSA-N 277.477 4.554 30 10 CJEE C=CCCCCCOc1c(C)cccc1CNC(C)C 232656257 WWWYBDAIQXMRRQ-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE CCCCCCC[C@H](NN)c1scc(C)c1Cl 232939714 MLTTXKOFXYNTID-NSHDSACASA-N 274.861 4.575 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cccc(N)c1 232951956 UUQDTRVDDZMXLL-QGZVFWFLSA-N 263.425 4.833 30 10 CJEE C=CCCCCC[C@H](NCC)c1c(F)cc(F)cc1F 233542759 RQQMSLQLWJPQGZ-HNNXBMFYSA-N 285.353 4.891 30 10 CJEE C=CCCCCC[C@H](CSc1cccc(C)c1)NC 234449009 WOGOYOHOLPLIOE-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE Cc1ccc(Nc2cc(C)ccc2Cl)c(C#N)c1 235858065 SCIXLKJQIWFXKW-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=CCCCC(=O)c1ccc(Cl)cc1Br 236042651 FQYGKWALUKQBLQ-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=CCCCCC[C@H](NN)c1csc2ccccc12 236245516 GUUDYGJVWKUFMA-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(C(F)(F)F)c1 236538167 ACOXKONPMNEEQH-AWEZNQCLSA-N 272.310 4.875 30 10 CJEE C(=NN=C(c1ccccc1)c1ccccc1)c1cccs1 254791000 HQQIFVMPDBPPBJ-UHFFFAOYSA-N 290.391 4.620 30 10 CJEE CC(C)(C#N)Cc1cc(-c2ccc(F)cc2)ccc1F 260555490 NOJLZMDXCURRMR-UHFFFAOYSA-N 271.310 4.724 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CCC[C@H]1C 300284144 NGTLYXQTOMUEAN-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(F)c(Cl)c2)c1 308122730 PKDKFLAGHGNZBK-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCCCCCCCCN[C@H]1CCC(F)(F)C1 310957639 NLRVMFJBSGDPAE-AWEZNQCLSA-N 261.400 4.905 30 10 CJEE CC(C)C(C(C)C)[C@H](O)C1(C#N)CCCCCCC1 311431121 GBHKBVRXWUVVHH-INIZCTEOSA-N 265.441 4.530 30 10 CJEE C=CCS[C@H](C(C)C)[C@@H](NCCC)c1ccccc1 311595626 YPTKEJAJPDSNFB-DLBZAZTESA-N 277.477 4.671 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(C)n(C)n1 312174743 QDRDXJNFSMVWPU-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccccc1C(F)(F)F 312357387 WDHUPUXUSFGYSN-LBPRGKRZSA-N 285.353 4.958 30 10 CJEE C=CCCCCCCNCc1ccc(OCCC)cc1 312462396 PYXFHSWLEMYSHI-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE CCCCCCCCCC[C@@]1(C=O)CCCS1 317428662 PDPACDSJEQUJGY-HNNXBMFYSA-N 256.455 4.982 30 10 CJEE C#CCCC1(CNC(C)C)CCC(C(C)(C)C)CC1 318103454 RKFHVVYJNIRNII-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE C=C(C)CC1(CNCCC)CCC(CCC)CC1 318790880 PUYRONWRNRVZFJ-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c2ccccc12)C1CC1 324001751 GENOKNGBWHLGIB-KRWDZBQOSA-N 264.372 4.702 30 10 CJEE CO[C@H]1CCC[C@@H]1C1(C#N)CCC(C(C)(C)C)CC1 382517299 UXRZOUYFWPTGRK-GWUWNPHMSA-N 263.425 4.548 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)C2CCC(C)(C)CC2)C1 383962151 CHKBZXASWXDWND-HFTRVMKXSA-N 277.452 4.674 30 10 CJEE C=CCCCCCCN[C@@H]1Cc2ccc(Cl)cc2C1 388355747 CJMOMNABDMIFCE-QGZVFWFLSA-N 277.839 4.533 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cc(F)ccc1Cl 395632278 DEZBXFKUXDTBCC-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@@H](C#N)C1CCCC1 397136379 VNNSLRHSFADUHV-UKRRQHHQSA-N 290.838 4.663 30 10 CJEE N#C[C@@H](CSc1cccc(Cl)c1)C1CCCC1 397388279 XBDLBOOAGCOOEW-LBPRGKRZSA-N 265.809 4.762 30 10 CJEE C=CCC[C@@H](NCc1cc(C)c(O)c(C)c1)c1ccccc1 515557257 TYBNJKMVAFWUIE-LJQANCHMSA-N 295.426 4.806 30 10 CJEE CC(C)(C)[C@H](CS)CN1CCC[C@@H]1C1CCCCC1 688814355 QFDMTIFPHNPLSS-JKSUJKDBSA-N 283.525 4.623 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2ccc(Cl)c(C)c21 701871377 ITYDXOQGUOLDAL-UHFFFAOYSA-N 294.851 4.889 30 10 CJEE Cc1c(Cl)cccc1Oc1c(F)cc(C#N)cc1F 702653056 HRLFPPWQHCWACN-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE C=CCCCCCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C 703779775 IZQOXTYMHDCBNS-IXDOHACOSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](CC1CC(OC)C1)NC 704189467 YNZJXYYCSFOAQC-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE CCCCCCCN[C@H](C)C1CCC(F)(F)CC1 709152621 RSQVYIYFVREVKM-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE CCCCCCCCNC[C@H]1CCCC2(CC2)C1 709978728 UUUZNMJCUJQCAB-INIZCTEOSA-N 251.458 4.907 30 10 CJEE CCCCCCCCCNC[C@@H](C)[C@@H]1CCCCO1 712054322 YHWCZEWNIIKTBK-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCC[C@@H](/N=C2/NC3(CCCCCC3)CS2)C1 713213527 GETWWWOBVLJTLN-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H](OC)CC1 718755375 UOULOAWHTACPQD-HUUCEWRRSA-N 291.460 4.724 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCCCC1(C)C 719225969 LUJJWXUGWMIGSQ-INIZCTEOSA-N 274.383 4.777 30 10 CJEE C=CCCCCNCc1ccc(C)c(Br)c1C 719609650 QSIVUJHJWXAXLO-UHFFFAOYSA-N 296.252 4.512 30 10 CJEE C1CCC([C@H]2CCS/C(=N/CCCC3CCC3)N2)CC1 725123628 BJEQSQLPFXKORA-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE 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CCCCCCC[C@@H](C)Nc1ccc(OC)cc1OC 59089747 CFUFALSVCJWOEI-CQSZACIVSA-N 279.424 4.865 30 10 CJEE Cc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)cc1 62938277 WPOXGOWSMIVVGR-UHFFFAOYSA-N 276.364 4.657 30 10 CJEE CCCCCC[C@H](C)Oc1cc(C#N)c2ccccc2n1 68796600 IJBOYYHRBNOOEJ-AWEZNQCLSA-N 282.387 4.844 30 10 CJEE CCC[C@H]1CCCN(c2ccc(C#N)cc2Cl)CC1 79343642 NYVBLQJMHIHYCO-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE Cc1cscc1-c1nc2cc(C#N)ccc2n1C(C)C 94249416 XFWGCQIYDPJXSX-UHFFFAOYSA-N 281.384 4.526 30 10 CJEE CC[C@H](CS)COc1ccc(Cl)c2ccccc12 94584859 JIBZNEVFUJABQL-NSHDSACASA-N 280.820 4.828 30 10 CJEE C=C(CC)C[C@@H](Cc1cc(C)cc(C)c1)NCCC 97208621 UIMZGWIKYRKTBA-SFHVURJKSA-N 259.437 4.570 30 10 CJEE CN(CCCCCCCCCS)c1cccc(F)c1 97799385 YWZLJALZMNLOPV-UHFFFAOYSA-N 283.456 4.922 30 10 CJEE CCC[C@H](CC)Nc1ccc(C#N)c(C(F)(F)F)c1 104001506 QOSYEPDNQFWRFT-NSHDSACASA-N 270.298 4.568 30 10 CJEE CCCCCCCCOc1c(C)cc(C=O)cc1C 104693438 OXLRADGKKZJQQV-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE CCCCCCCSc1cc(C(=O)O)ccc1C 105553463 BRSTYHMIRLEODD-UHFFFAOYSA-N 266.406 4.756 30 10 CJEE CCCCCCCCn1nc(C)c(Br)c1C 109308513 ISNGDMUNXLMCQH-UHFFFAOYSA-N 287.245 4.623 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1ccc(Cl)cc1 109780791 LIOLKAFIIKDMSS-INIZCTEOSA-N 283.843 4.863 30 10 CJEE CCNc1nc2c(cc1C#N)CCCCCCCCCC2 110116299 BSTPVVWRZCGBIM-UHFFFAOYSA-N 285.435 4.604 30 10 CJEE Cc1ccc(Cl)cc1Nc1ccc(C#N)cc1Cl 110253513 VEZDDWQHSNYKDC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@@H](CCC)CCC1=O 110325785 WUFLMIUQCDJHBE-GJZGRUSLSA-N 266.425 4.702 30 10 CJEE CCCCCCCn1ccc2c(C[C@@H](N)CC)cccc21 112985425 JTQQKELMJALGCA-KRWDZBQOSA-N 286.463 4.892 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@@H]1C(C)(C)C 115241048 SXKAKUDBGPHCSV-MJGOQNOKSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](C)N(CCC(=O)O)c1ccccc1 115591645 UZMMTPRKXIXCEZ-MRXNPFEDSA-N 291.435 4.717 30 10 CJEE CCCCCCCCC[C@@H](CCCOC)NCCC 115747138 HEVYBXHBSAWODU-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCC[C@H](O)C(C)(C)N(C)C 118137768 PSZPRLDSQPMWFW-KRWDZBQOSA-N 285.516 4.999 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C#N)c1nc(C)cs1 122308426 BWWFORUBYDUXHI-CQSZACIVSA-N 292.448 4.769 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(F)cccc1OC 125135443 NDRVFXOYOVVFEM-OAHLLOKOSA-N 281.415 4.845 30 10 CJEE CCCCCCCC[C@@H](N)c1occc1Br 128302654 MXBAOFUNKWPNLN-GFCCVEGCSA-N 288.229 4.793 30 10 CJEE CCCCCCCCCCC[C@@H](N)[C@H](C)CCOC 128391387 MOEWYLNLSXFJSD-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CSc1cccc(Nc2ccc(C)cc2Cl)c1C#N 136618610 UGOIQPUBWQAPAC-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CC[C@H]1CCC[C@@H](OCc2ccc(C#N)cc2Cl)C1 162992100 MCDOTCNHBDQBNK-SWLSCSKDSA-N 277.795 4.697 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)CCO[C@H]1C1CC1 168355779 IONRSSHUJCPGLT-OALUTQOASA-N 295.511 4.922 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccn(C(CC)CC)n1 168943588 QEFQUNVUYKFTRA-INIZCTEOSA-N 293.499 4.865 30 10 CJEE CCCCCCC[C@@H](Cc1ccn(C(CC)CC)n1)NC 168949646 JIYLUVKLJNVLSG-INIZCTEOSA-N 293.499 4.735 30 10 CJEE CC[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 211665240 ANISDYJIVQYTHA-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(C)c(C)c1 211876991 YYPGLSZNBJNDCL-QGZVFWFLSA-N 271.404 4.696 30 10 CJEE N#Cc1c(F)cccc1Nc1cc(Cl)c(F)c(Cl)c1 232039632 VYEVJWRHSOYEQZ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCC[C@H]1COCC[C@H]1NCC 232925232 FATKFPVPJMEMSH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CO)Nc1ccc(F)cc1 232983847 MAYKDWIXGKMCNH-QGZVFWFLSA-N 281.415 4.739 30 10 CJEE C=CCCCCC[C@@H](NCC)C1CCC(C)CC1 233600817 SIRRDUDCDMSQAT-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE Cc1cccc2cc(C(=O)C3=CCCCCC3)oc12 235923002 BVSMNWFYYNOSQU-UHFFFAOYSA-N 254.329 4.814 30 10 CJEE Cc1ccc(C(C)C)cc1-c1csc(CS)n1 259120062 GHRDJNVZNZARNJ-UHFFFAOYSA-N 263.431 4.672 30 10 CJEE N#CC[C@@H](c1cccc2sc(C3CC3)nc12)C1CC1 260693702 WBMABSDQGRMBJR-GFCCVEGCSA-N 268.385 4.581 30 10 CJEE N#CCC1(c2ccc(OCc3ccccc3)c(Cl)c2)CC1 260735960 WBBBQQQDLRQYHL-UHFFFAOYSA-N 297.785 4.864 30 10 CJEE C[C@@H]1CCC[C@H](Oc2ccc(C#N)c3ccccc23)C1 300541647 ACXIXGDBJJTZOK-HIFRSBDPSA-N 265.356 4.669 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCCC(F)(F)C1 302328426 INBIVMWEKRIEKF-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCCCCCCCCC(=O)c1cc(C)cc(N)c1 308233830 UWVCFFBIYGWAOW-UHFFFAOYSA-N 261.409 4.901 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(OC)s1 310954786 ZOOAHBJMWCXUDF-CYBMUJFWSA-N 269.454 4.768 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1)C(F)(F)F 312037438 ZPFJJYHGIOQTJR-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCC[C@]1(C)CCC[C@@H](CNCC(C)C)O1 312682513 NONGAAZUHDLVAK-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccc[nH]1 380822953 YGWMCKNTSDGRQF-HNNXBMFYSA-N 250.430 4.806 30 10 CJEE N#CC1(c2ccnc3cc(Cl)ccc23)CCCCC1 382221466 WDDYJEZFGVZQHT-UHFFFAOYSA-N 270.763 4.614 30 10 CJEE C=C(COCCC)[C@@H](NCC)c1ccc2sccc2c1 387387042 ACHFULUQIBVIEV-QGZVFWFLSA-N 289.444 4.535 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)CCC2CCCCC2)CC1 395108267 NIUXJMCOMVJMQD-INIZCTEOSA-N 277.452 4.818 30 10 CJEE N#CCc1sc2ccc(Cl)cc2c1C(F)F 396185742 FEUMJULVRMINTL-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC1(C)OB(/C=C2\CCCC23CCCCC3)OC1(C)C 396740712 PMSTXTMVVGCCEQ-BUHFOSPRSA-N 276.229 4.679 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)c1ccc(Cl)cc1 397200310 PODXPKDSCBXILO-CJNGLKHVSA-N 290.838 4.711 30 10 CJEE CC[C@H](Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CC1(C)C 397684595 MZFIJZVYRQOFKY-CVEARBPZSA-N 270.420 4.724 30 10 CJEE CCCCCCCCCCCCNCc1csnn1 398293108 JGNAVLGHJXNWNC-UHFFFAOYSA-N 283.485 4.549 30 10 CJEE CCCCCCCCCC[C@@H](C)[C@H]1[C@H]2CN[C@H]1C2 400104239 FSCROMFZBCZCKK-NCOADZHNSA-N 251.458 4.761 30 10 CJEE CCCCCCCC(=O)C[C@@H](C)CC(F)(F)F 402519188 NBJPCFHLZPALQD-LLVKDONJSA-N 252.320 4.895 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCC=C(Cl)C2)C1 404399556 FLGHMUOALZXZCP-FMKPAKJESA-N 294.870 4.559 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)Sc2ccccc21 464537334 GBWWKTPOBRSQSL-KGLIPLIRSA-N 289.444 4.506 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@@H](C)O[C@H]1C 686463817 ZNTUPMPBRRLQFH-FGTMMUONSA-N 283.500 4.919 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)c1ccc(O)cc1 692222315 TZZFRQKVSSUWOB-FHLIZLRMSA-N 273.420 4.568 30 10 CJEE CCSc1cccc(N[C@H]2CCC23CCCC3)c1C#N 693784930 JZIYKICROFSZQX-INIZCTEOSA-N 286.444 4.805 30 10 CJEE CCCCCCCCNCC(C)(C)CC(F)(F)F 693969958 OXDKFUCGVYQLNI-UHFFFAOYSA-N 267.379 4.915 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1C=CCCCCC1 695744604 JWFUXHWBJBVFJR-AWEZNQCLSA-N 260.768 4.512 30 10 CJEE N#CC1(CCCOC2CCCCC2)CCCCCC1 699946817 QFBDBXJHRHHSQD-UHFFFAOYSA-N 263.425 4.980 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 701251650 RAZSVXLZJXSAJQ-RKDXNWHRSA-N 276.182 4.748 30 10 CJEE CC[C@@H](OCc1ccc(C)c(C#N)c1)c1ccccc1 701870818 UYGBNIAWIMXAMX-GOSISDBHSA-N 265.356 4.535 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cc2cscc2s1 703295762 MZUFJJQCKCTMBW-GFCCVEGCSA-N 288.372 4.779 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(OC(F)F)cc1 703723360 MCTVTRXACWMVKH-ZDUSSCGKSA-N 285.378 4.909 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(F)cc1Cl 704931087 UAHAFFQJFHNYGL-QKCSRTOESA-N 265.759 4.913 30 10 CJEE C[C@@H]1C[C@H](N(C)[C@@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 708763949 MXUQFPHYQQAPTI-LTIDMASMSA-N 276.468 4.605 30 10 CJEE C=CC(C)(C)COC[C@@H](NCCC)c1cccc(Cl)c1 709583945 QSSYBCOSJXSLBK-MRXNPFEDSA-N 295.854 4.610 30 10 CJEE CC1(/N=C2/NC3(CCCCCCC3)CS2)CCCCC1 713203892 WVMSBIKOABAIJA-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE CCCCCCCCCCNC1(CO)CCCCCC1 713457860 LMJDWHKZSDVVJH-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE C=CCCC[C@H](C[C@@H]1CCCC1(F)F)NCCC 713953275 VTECKMPWFNPSQG-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)c1ccncc1 714374892 AKIIZOLRBVFMCU-KRWDZBQOSA-N 276.468 4.698 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C(C)(C)C)c1 715717556 CPLLCPGPXRVYBH-WMLDXEAASA-N 259.437 4.847 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)cc1Cl 715723736 ZFGGKGUQWDADCD-HZMBPMFUSA-N 272.219 4.856 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)C[C@H](C)CO1 718380631 CWUQSWISHVZFNR-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@]1(N)CCC[C@@H](OC)CC1 718799730 PYDYXODJHDGKGT-SJORKVTESA-N 269.473 4.804 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)N1CCCCCC1 720400466 SZNHPDIEXSXSDG-QGZVFWFLSA-N 262.441 4.505 30 10 CJEE C=C1CCC(C[C@H](O)C2CCC(C)(C)CC2)CC1 724542376 LLACFWCSUMIYMA-INIZCTEOSA-N 250.426 4.700 30 10 CJEE N#Cc1c(C(F)(F)F)cc2sccc2c1C(F)(F)F 725324239 AIAHXBOJHZPWSO-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Cc1ccc(NN=C2CCC[C@@H]2c2ccc(Cl)cc2)nc1 741465255 ZXZAKXVCIGQBHT-OAHLLOKOSA-N 299.805 4.779 30 10 CJEE C/C(=C/C(C)(C)C)C(=O)N[C@H](CCCC#N)c1ccccc1 817325182 YYZGUFOAEYMTBR-NHRMXYMRSA-N 298.430 4.530 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCCCC[C@@H]2C)C1 821942655 NYXDKCRHDWXRPT-OBVSXPTNSA-N 276.468 4.605 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(C2CC2)c1 821996905 MZRKQZWOXKHYIZ-PKOBYXMFSA-N 269.432 4.789 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1 883326658 IGKSSDTVLWEPDR-LPHOPBHVSA-N 280.415 4.830 30 10 CJEE C=CCC[C@@H](NCc1nccs1)c1cccc(Cl)c1 903075544 ZBEFKEDSORYTKY-CQSZACIVSA-N 292.835 4.594 30 10 CJEE Cc1ccccc1C=Nc1sc2c(c1C#N)CCCC2 1084465011 ZCUCIDRGPWXUDP-UHFFFAOYSA-N 280.396 4.558 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccccc1C1CCC1 1126399210 JIMBBUISEPDHBB-UHFFFAOYSA-N 285.431 4.773 30 10 CJEE C=CCCCCCCNC(=O)c1cccc(C2CCC2)c1 1128748799 SJNPGIJLMLUJLZ-UHFFFAOYSA-N 285.431 4.820 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](C)c1csc2ccccc12 1134908116 GIFMNWPHLYWAGR-OLZOCXBDSA-N 287.428 4.681 30 10 CJEE C=CCCc1ccccc1N[C@H]1CC[C@@H]2CCC[C@@H]21 1205503536 BETKKCPPEOFKKP-ZVZYQTTQSA-N 255.405 4.796 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cccc(C2CCC2)c1 1287603342 KQQAFVAIAYKACY-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C=C(C)CCC(=O)Oc1c(Cl)ccc2ccccc12 1287846117 BSAJGVJMCSNQHL-UHFFFAOYSA-N 274.747 4.755 30 10 CJEE C=C(C)CCN(CCC)Cc1c(F)cccc1Cl 1307437234 VOHFXPUSLBMKKI-UHFFFAOYSA-N 269.791 4.657 30 10 CJEE C=CC1(CC(=O)N(C2CC2)[C@@H](C)[C@@H](C)CC)CCCCC1 1353083876 UBAWTIFWTCAASO-HOTGVXAUSA-N 291.479 4.939 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CCCCC1 1353521084 DQISEWBPADLLIA-BRWVUGGUSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(SCC)cc1 1360176559 XCQMSSRZKMWTPS-CYBMUJFWSA-N 291.460 4.578 30 10 CJEE CCCCCCCCCCN1CC[C@H]([C@H]2CCCO2)C1 1460748059 CCAZIMJVCXQLSC-ZWKOTPCHSA-N 281.484 4.628 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](Cc2cccnc2)C2CCCC2)C1 1462526057 FTSHYXNUADUHFQ-LSTHTHJFSA-N 298.474 4.517 30 10 CJEE C=CCC[C@@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 1465196269 FASLQEZRDYQBNV-QGZVFWFLSA-N 298.361 4.655 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cncc(Cl)c1Cl 1474622906 AJNXGROCXBLJEG-RISCZKNCSA-N 299.245 4.613 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OC(C)C)cc1Cl 1516779857 KHSQXCVEDFOSLN-GFCCVEGCSA-N 295.810 4.668 30 10 CJEE C#CCCCCCC(=O)N(Cc1ccc(C)cc1)C(C)(C)C 1529691283 SNPHECASHFSPNS-UHFFFAOYSA-N 299.458 4.706 30 10 CJEE C=CCCCCCCNC(=O)c1oc2c(C)cccc2c1C 1539609197 NCYQBIHXSREXGR-UHFFFAOYSA-N 299.414 4.916 30 10 CJEE C=CCCCN(Cc1cccc(C(F)(F)F)c1)C(C)C 1559510600 MPFBXJFHDYTYIB-UHFFFAOYSA-N 285.353 4.882 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 1565674041 ATLYTVRBPUGDLH-AWEZNQCLSA-N 291.460 4.578 30 10 CJEE C=CCC[C@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccccc1 1566620586 CHOFIBYOJFZYDV-QAPCUYQASA-N 283.415 4.557 30 10 CJEE C=C(CNC(=O)CCCCCCCC)c1ccccc1 1584316097 HYDULQZWWWEHQH-UHFFFAOYSA-N 273.420 4.567 30 10 CJEE C=C(C)CCN[C@H](c1ccc(CC(C)C)cc1)C1CC1 1616635859 GUHFFYOCGXRBGY-LJQANCHMSA-N 271.448 4.892 30 10 CJEE C=CCCCN(CC)Cc1cccc(-c2ccccn2)c1 1621554419 WAWFLLBWGUALCZ-UHFFFAOYSA-N 280.415 4.537 30 10 CJEE C=C(CC(C)C)C(=O)N(C)Cc1c(CC)oc2ccccc12 1624541836 VMSSTDXPWOEZGT-UHFFFAOYSA-N 299.414 4.556 30 10 CJEE C=CCC1(C(=O)NC2CC(c3ccccc3)C2)CCCCC1 1635068794 JSMHCSHKQNJYOO-UHFFFAOYSA-N 297.442 4.575 30 10 CJEE C=CC[C@@H]1CCN1C(=O)[C@](C)(CCC)CCCCCC 1640141839 SWHUACPVAIXNKE-SJLPKXTDSA-N 279.468 4.940 30 10 CJEE C=CCCCCCN1CC[C@@H](c2cccc(C)c2)C1 1645260647 NUOAVFZULZTUDR-GOSISDBHSA-N 257.421 4.531 30 10 CJEE C=CCCC[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1ccccc1 1651058264 XYMCEDCMNIJUIZ-QFBILLFUSA-N 297.442 4.947 30 10 CJEE C=CCn1c(SCC2CCCC2)nc2ccccc21 1656005055 RKNUEMQGPMZXLK-UHFFFAOYSA-N 272.417 4.505 30 10 CJEE C=CCCCCCN[C@@H](c1ncccc1C)C(C)(C)C 1656422268 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SC[C@H](CSC[C@@H]1CC12CCC2)c1ccccc1 2254032014 XKUCEPWCFOLDDM-CABCVRRESA-N 278.486 4.623 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1sc(C)c(C)c1C 2254060800 LMJDUZKOQRWADQ-XHDPSFHLSA-N 265.466 4.926 30 10 CJEE C=CCCCSC[C@@H](NCC)c1cccc(Cl)c1 2258985639 LUXHBNKNVIRGSD-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE C=CCCCCCCCSCCC[C@H]1CCCN1 2259043948 GJHFLOGXEVALIG-MRXNPFEDSA-N 269.498 4.778 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C(F)(F)F)s1 2263306494 UCISVKOVNIUWOV-JTQLQIEISA-N 277.355 4.774 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2CC(F)(F)C23CCC3)C1 2266094468 CAHPRAFZTUMZSI-RDBSUJKOSA-N 270.363 4.597 30 10 CJEE CCCc1ccc(C[C@]2(C#N)CCS[C@@H](C)C2)cc1 2268253248 SHMBQIZEGUJDQD-YOEHRIQHSA-N 273.445 4.607 30 10 CJEE CC(C)(C)C#CC=CCNc1cccc(C2CC2)c1 2268825129 RVNRMFBCPDFVBE-UHFFFAOYSA-N 253.389 4.582 30 10 CJEE CCCCCCCC(=O)CCCCCCCCCN 2269471454 UUSAWGSRHWZCJC-UHFFFAOYSA-N 269.473 4.996 30 10 CJEE C=CCCCCCCCSCC1(C(=N)N)CCCC1 2271514918 HRKGNRUPFZQBRZ-UHFFFAOYSA-N 282.497 4.743 30 10 CJEE C=CCCCCCCCSC[C@@H](NC)c1cnsc1 2271597714 YXYUWPAARPUFEE-OAHLLOKOSA-N 298.521 4.663 30 10 CJEE CCCCC[C@H](CC)N(C)C[C@](C=O)(CC)CCC 2272065752 FAXDJJLWRARSDW-IRXDYDNUSA-N 269.473 4.673 30 10 CJEE CC(C)CCC[C@H](C)CCN(CC#N)C1CCCC1 2272356576 YQFTWEFKIKEVJK-INIZCTEOSA-N 264.457 4.607 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](N)(CC#CC2CCCC2)C1 2274181420 QAVWUSCBPJXXPN-FUHWJXTLSA-N 261.453 4.504 30 10 CJEE C=CCCCCC[C@H](CC(C)(C)CC)OCCCN 2276209814 HECYCBSCIRQWSP-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CCCC[C@@H](CC)C[S@@](=N)(=O)CCCC(C)(C)C#N 2278345587 ACGXFJAPMSDHSL-KUHUBIRLSA-N 286.485 4.580 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCC2(OC)CCCCC2)C1 2280308931 WTWXBTPNIDJBOP-OWCLPIDISA-N 295.492 4.787 30 10 CJEE CCN[C@H]1CC(C)(C)CC[C@@H]1CC=CC#CC(C)(C)C 2284085187 AORSRYMZRBUWHZ-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(F)c(Cl)c1 2284106566 IKZMAXBWCBGSPK-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CCCC(F)(F)CC1 2284111542 VSXOMOXUGQRCTP-AWEZNQCLSA-N 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4.545 30 10 CJEE O=C[C@]1(CCCCC(F)(F)C(F)(F)F)CC=CCC1 2342350659 YYUZVYCSDUIYKP-LLVKDONJSA-N 284.268 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1c(C)nsc1C 2344341401 BOAJXLQDVSRWQS-CVEARBPZSA-N 280.481 4.793 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]1(C)CC1(F)F)NCCC 2344380518 ZVWDDMAJEMRNOQ-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE CC(C)C[C@@H](CS)COC[C@@H]1C[C@H]2CCC[C@H]1CC2 2353833654 GRVATCWYCQPYHY-YVSFHVDLSA-N 284.509 4.812 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H]1C[C@@H]2CC[C@H]1O2 2355048944 DFSBCIHPJGEEFJ-XLAORIBOSA-N 281.484 4.802 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCO[C@@H]1C)NCCC 2355653243 NJJHGBVCTRGXOV-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C#CCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2357716582 AGRRXNVZNPMZSP-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2OC[C@@H]3CCCC[C@@H]32)C1 2358519954 QJVFHOUHBULHFO-ICUGJSFKSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCCCOC[C@@H]1C[C@H]2CC[C@@H]1N2 2358905393 RKLFJUPKHMGCFC-KSZLIROESA-N 281.484 4.674 30 10 CJEE 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CCCCCCCCC[C@@H](CCc1ccco1)NC 139453180 HXSSCYGJNGTIBL-INIZCTEOSA-N 265.441 4.941 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H](C)OC)NCC 140321590 RWDXMBJVGJCTTO-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(N(C)C)cc1 140419236 LGSPUQWVMBBRDQ-GOSISDBHSA-N 276.468 4.764 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@](C)(CC)OC 163435645 JJWLFULOAZYJAK-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CC[C@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 164145151 LSPCWVGQYNJRQN-GXFFZTMASA-N 282.309 4.568 30 10 CJEE N#C[C@H](c1cccc(Cl)c1F)C1CCCCC1 167881606 UGTOBYSKOZMTMM-LBPRGKRZSA-N 251.732 4.667 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@H]1CCNC1 226534046 XOZIMFUJEGIEQW-QGZVFWFLSA-N 281.484 4.866 30 10 CJEE CCCC(CS)(CCC)COCCC1CCC1 229592921 RDDZQWZOSABVQT-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@H](C(C)C)C2)cc1 231003896 WNJHPZKGIOQZKW-RDJZCZTQSA-N 256.393 4.516 30 10 CJEE CCCCCCCC[C@@H](CCOCC(F)(F)F)NCC 232086081 KVHBRJYXGRXXCB-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CCCCCCCC[C@H](CC1CC(OCC)C1)NC 232178464 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710687243 HFUUYURXMKOUFO-UHFFFAOYSA-N 257.849 4.571 30 10 CJEE CC(C)C[C@@H](C)/N=C1/NC2(CCCCCCC2)CS1 713285401 NOEXXWFRRRRRKV-CQSZACIVSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)Oc1cccc(CNC(C)(C)C)c1Cl 715002343 SERKXTJIDXWBDL-GFCCVEGCSA-N 281.827 4.572 30 10 CJEE C=CC[C@@H](C)[C@@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 715010569 OZKDNKYDHUQQDZ-ACJLOTCBSA-N 274.448 4.717 30 10 CJEE C=CC[C@H](C)[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 715707311 WSPDMSJXCMPWAI-DZGCQCFKSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2cscc2s1 715724722 WKXDYARHWKVUAM-QMTHXVAHSA-N 265.447 4.826 30 10 CJEE CC[C@](C#N)(CCCSCC(C)(C)C(C)C)NC(C)C 718869322 JJRLBGQNDZMARZ-QGZVFWFLSA-N 298.540 4.852 30 10 CJEE C=CCC1(C(=O)Nc2ccc(CSCC)cc2)CCC1 1129095259 DXSZCANPABFVGR-UHFFFAOYSA-N 289.444 4.625 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(OC=C)cc1)c1ccccc1 1129700718 LWLFOTRXPXQRDI-GOSISDBHSA-N 293.366 4.507 30 10 CJEE C=CCCC[C@H](NCc1ccc(OC)cc1)c1ccccc1 1175774584 HCCNILYWTGCGPR-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE 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294.801 4.613 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccccc2CC(C)C)C1 2182160508 PCGRXPFXKRCCDT-LJQANCHMSA-N 271.448 4.892 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)CCC[C@H]1C[C@H]1C 2182711803 FPRKLMFPNQJSQO-IKGGRYGDSA-N 282.468 4.883 30 10 CJEE CC(C)N[C@]1(C#N)C[C@@H](S[C@H](C)C(C)C)CC(C)(C)C1 2183523535 MRVGALCXPLQTGW-HLLBOEOZSA-N 296.524 4.603 30 10 CJEE CC(C)(C)c1ccnc(Oc2cc(Cl)ccc2C#N)c1 2186491665 ZHNUPUYBHMBDGT-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CC[C@H]1CC[C@@](CC#C[Si](C)(C)C)(CNC(C)(C)C)C1 2187476972 RIYYRGDVAVPZHM-FUHWJXTLSA-N 293.571 4.842 30 10 CJEE C=CC1(CNCc2ccc(OC)c(Cl)c2)CCCCC1 2189517258 IOXZFZLAFWHGKF-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C[C@H]1CC(C[C@]2(C#N)CCOC23CCCC3)C[C@H](C)C1 2190322167 VMHWDOZMPKCIGH-INMHGKMJSA-N 275.436 4.692 30 10 CJEE C=CCC[C@H](C)N(C)c1ccccc1[C@H](CC)NCC 2190861617 NBBPOPUGYSDPAX-RDJZCZTQSA-N 274.452 4.538 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2194057742 AIUNQVCGYUEBNG-XLAORIBOSA-N 275.480 4.621 30 10 CJEE 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CCCC[C@@H](CC)CSCC1(CS)CCOCC1 2263833087 YWZISBADFYFUGJ-CQSZACIVSA-N 290.538 4.663 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ncc(C(C)(F)F)s1 2264519708 GWYQRGSVORENNI-MNOVXSKESA-N 288.407 4.508 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CC[C@@H](C(F)(F)F)C1 2264982624 ABUVBAPNQWFZOO-MJBXVCDLSA-N 277.374 4.819 30 10 CJEE CC1(C)CCO[C@@H](C[C@]2(C#N)CCCC(C)(C)C2)C1 2265620101 OCFISNCDSQCSKR-RHSMWYFYSA-N 263.425 4.692 30 10 CJEE CCCCC#CC[C@@H](C[C@@H]1CCCC12CC2)NCC 2266579673 WKCZUYQFXFYACL-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(OC)c1Cl 2268071019 CJHXGGPGKFTQSC-BLLLJJGKSA-N 281.827 4.602 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)CCC(F)(F)F 2268383993 HZGMDDOGIMPAAC-IBGZPJMESA-N 299.402 4.902 30 10 CJEE CCC[C@H](C(C)C)[C@H](CC=CC#CC(C)(C)C)NC 2268821268 CFGPQQGQVHBETM-SJORKVTESA-N 263.469 4.643 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1C[C@@]1(C)COC 2269285803 UAAUMOSFWFVSIA-ULQDDVLXSA-N 270.457 4.551 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@H]1CCC[C@@H]1C(F)F 2270038662 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C=C(C)CCCC[C@@H](N)c1cccc2c1OC(C)(C)C2 2287390923 VFVLXVCXIBKRBU-MRXNPFEDSA-N 273.420 4.536 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@@]1(C)CC1(C)C 2288626609 PKANRHKYTSOAJP-ROUUACIJSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](CC)[C@H](C)CN(C)C 2288831121 HDXZCRWWSZCOFO-SQNIBIBYSA-N 284.532 4.691 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@@H]1CCSCC(C)(C)C 2288861904 WTBQPZGHBJXYQT-WBVHZDCISA-N 296.524 4.608 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CCCC12CC2 2289852926 VNCNHGAUGATPLF-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(C)cc1C 2289858344 ANROGIUCHLNRKK-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CCC1(C)C 2289901648 RTMHTSBFGFUQFJ-IBGZPJMESA-N 275.480 4.622 30 10 CJEE CCCN[C@@H](CC#CC1CC1)C1CC(CC(C)(C)C)C1 2289981820 UBYFPILXMYJPGL-ABHNRTSZSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@H](C)C1CC1 2290574042 TZFHJBLCESKWLM-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)c1cccs1 2291577815 BCFCRZSVUGKAGH-INIZCTEOSA-N 298.448 4.815 30 10 CJEE CCCCC#CC[C@H](OCCCN)C(CCC)CCC 2292566456 WFXMHSGPYWQBPV-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)[C@H](C)CCC 2292589294 RMJFLSPOPYPZEM-HZPDHXFCSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@H](OCCN)C1CCCCCCC1 2292789324 FQBQIEUDTHVRNV-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCCCC12CCC2 2292801224 URYXDXGXPIXMLR-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CC1(C[C@](C)(CCCCCCC)OCCN)CCC1 2293519323 NXXXGCOOVCAXKF-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1C[C@H]2CC[C@H]1C2 2293684138 UBNOHHQKKUDJAS-XLAORIBOSA-N 281.484 4.517 30 10 CJEE C=CCCCCCCCC1(OCCN)CC(C(C)C)C1 2293776749 RDNAGRLNVJFCLG-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE CC#CCCC[C@@H](CCCCCCCC)OCCCN 2294081087 RCRDSJVWNFGEGA-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=C1CCC(C[C@H](OCCN)c2sc(C)cc2C)CC1 2294097454 YXQOSZNJMFOENI-INIZCTEOSA-N 293.476 4.518 30 10 CJEE CCCCCCC[C@H](C[C@H]1[C@H]2CCC[C@H]21)OCCCN 2294409209 JHDHBRYLLNZSNB-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE CCCCCCCCCC[C@@H](CC(F)(F)F)OCCN 2294563793 WSYWRORKVAAXFA-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)[C@@H]1CC1(C)C 2295524189 HIVJYBUKDARYJW-AEFFLSMTSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)CCCC(=O)O 2295532291 VCBUOXCWEOAMOF-INIZCTEOSA-N 285.472 4.702 30 10 CJEE C[C@@H](CCS)CCOCC1CCCCCCC1 2303285879 UBRUIWZREMRKTE-CQSZACIVSA-N 258.471 4.710 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)ccc1Cl 2304024618 MHXIWYGZIOFBRB-GJZGRUSLSA-N 251.801 4.641 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(Br)c1C 2304119520 KUSTUNMGTRUBFV-GJZGRUSLSA-N 297.236 4.783 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2307523630 WWRLOAGUHBTNAH-IINYFYTJSA-N 270.203 4.529 30 10 CJEE Clc1ccc(-n2cccc2C=NC2CCCCC2)cc1 2313545792 GBWKKLJPFBYODZ-UHFFFAOYSA-N 286.806 4.882 30 10 CJEE CCCCCCCCCC[C@H](O)C#CC1CCC1 2315773377 DADOSDPCLPCOCP-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(C(F)(F)F)s1 2316687251 AOJBCIIWTLVZOR-UHFFFAOYSA-N 274.307 4.718 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2316690453 LOFBEKTWSNLASB-GXFFZTMASA-N 286.246 4.645 30 10 CJEE N#C[C@@]1([C@H](CC2CC2)C2CC2)CCCC(F)(F)C1 2320695766 JNUXVTAYEJIVOL-ZIAGYGMSSA-N 253.336 4.532 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)C1CCCCC1 2321095026 FHPIJDLHUFLPPC-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H](C)C(F)(F)F)NCC 2321117282 NTPTWMCJKIRXJN-VXGBXAGGSA-N 265.363 4.545 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1CC[C@H](CCC)CC1)NC 2321129860 DZBRARXPUBLWDX-LUKYLMHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC1CC(C(F)(F)F)C1 2321140982 LMMIJGOLLFTUEZ-GCZXYKMCSA-N 262.315 4.527 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCCCCC)NN 2321148091 MRRNDXPLVFDVJB-CVEARBPZSA-N 254.462 4.561 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC(C)(C)C(F)(F)CC 2321221940 FFRWAVVPKXLMNR-OCCSQVGLSA-N 262.384 4.801 30 10 CJEE CC1(C)CC(CS)(COCc2ccc(Cl)cc2)C1 2321722182 GIQARCJDDSEFDR-UHFFFAOYSA-N 284.852 4.593 30 10 CJEE CC1(C)CCC[C@](C=O)(C(CC2CC2)CC2CC2)C1 2335216910 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C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC[C@@H]2C(C)(C)C)C1 91876150 WOPZEEZPBCTTLZ-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](C)C[C@@H]1C 94577422 LYEIKQOZWNKWBZ-CABCVRRESA-N 271.514 4.623 30 10 CJEE CCC(CC)[C@@H](C#N)Sc1cccc(Br)c1 94674697 XOCDCSSOUNFNCN-CYBMUJFWSA-N 298.249 4.870 30 10 CJEE CCCC(C#N)(CCC)C(=O)N(C)C1CCC(C)(C)CC1 94858947 UKBNZFMEHHGAOF-UHFFFAOYSA-N 292.467 4.524 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cccc(F)c1 103948374 BHHUCBJPJVKMOL-KRWDZBQOSA-N 265.416 4.836 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)[C@H](Nc1ccc(Cl)c(C#N)c1)C2 109807523 FUHGNHQLXUUNTL-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 110255574 LRUVDEPNWIKMBV-RISCZKNCSA-N 296.336 4.958 30 10 CJEE CCCCCCCCC[C@H](CN)Cc1ccc(OC)cc1 110464852 BBZWUPGJVKIXNP-SFHVURJKSA-N 291.479 4.953 30 10 CJEE CCCCCCCCCC[C@H](O)c1cn2ccccc2n1 116028710 NKCFXLJAZMDKQU-KRWDZBQOSA-N 288.435 4.899 30 10 CJEE CCCCCCCCCC[C@@H](C)[C@@H](C)NCCOC 128089798 AJXXSKGUKGHXIS-IAGOWNOFSA-N 271.489 4.778 30 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C=CCCC[C@@H](NCC)c1cc(Br)ccc1C 167689908 LVQQCPNRBGXVRT-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@H](O)c1c(C)oc(C)c1C 168343341 ALGMHEFTCSQJND-HNNXBMFYSA-N 252.398 4.989 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCCOC1 203405955 ITLXHEJHNRXJBA-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CCCN(CCC)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 212982370 LRTCCNPATHNKDO-KRWDZBQOSA-N 272.436 4.671 30 10 CJEE CC(C)[C@H]1CCCC[C@]1(C#N)Nc1cccc(Cl)c1 214749580 ACCYMPVFMZZRLB-HZPDHXFCSA-N 276.811 4.860 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(F)c1C#N 218374322 SSFCTFJJLJTYJG-IGCXYCKISA-N 274.383 4.570 30 10 CJEE N#CCc1ccc(C2CCCCC2)c(Br)c1 218757316 CRBLPBJYHSBVSC-UHFFFAOYSA-N 278.193 4.563 30 10 CJEE C=C(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCCC 219914796 ILORSCJZAHDLSS-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=C1CC[C@@H](C(C)(C)C)C[C@@H]1OCc1ccccc1 225243234 CWVMIRODRYMKEP-SJORKVTESA-N 258.405 4.974 30 10 CJEE CCCN[C@](C)(C#N)CCCCS[C@H]1CCC[C@@H](C)C1 226544928 ZXELIGDCGRGEMT-IKGGRYGDSA-N 296.524 4.750 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](O)c2cc(C)ccc2O1 229409465 JFFDVBNNWHMLDY-WMZOPIPTSA-N 276.420 4.930 30 10 CJEE C=CCCCCC[C@H](NC)C1(OC)CCC(C)(C)CC1 234419990 DCZPXUUNXNUFDV-INIZCTEOSA-N 281.484 4.696 30 10 CJEE C=CCCCCC[C@@H](CSc1ccccc1F)NC 234425243 XRBAOWZZBRMPJE-AWEZNQCLSA-N 281.440 4.642 30 10 CJEE Cc1cccc([C@@H](C)Nc2ccc(C#N)cc2Cl)c1 235238748 AGMCSBFXTSZOMS-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE O=C(C1=CCCCCC1)c1ccccc1OC(F)(F)F 236119004 VHLNDRPQRAJWKF-UHFFFAOYSA-N 284.277 4.658 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1Cl 236270051 JKJXWVUCRNRBMQ-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1NCCC 250813515 IJBVUQBIXOTSGB-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CC(C)(C#N)Cc1ccc2sc(C(C)(C)C)nc2c1 260748264 ZMTIBHKSJXTDLW-UHFFFAOYSA-N 272.417 4.686 30 10 CJEE CCC[C@H](C#N)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307899999 XUUHZPABFKYQAW-RISCZKNCSA-N 286.202 4.531 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@]1(C#N)CCc2ccccc21 311372881 JQIWIKJUSOUDSK-KYJSFNMBSA-N 253.389 4.611 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cc(F)c(C)cc1F 311755721 VLQWUPWTCRGBNG-GFCCVEGCSA-N 267.363 4.526 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CC2CCC1CC2 313205204 OPFGEADDLYCTFL-ZGUYJTEBSA-N 275.480 4.621 30 10 CJEE CC1(CC2(C=O)CCC(C(C)(C)C)CC2)CCC1 316928157 XVSROYDVPCLRCD-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCC(=CC(=O)c1ccc(OC(F)(F)F)cc1)CC 382328091 DOBNWMPIJRFOHV-UHFFFAOYSA-N 272.266 4.514 30 10 CJEE C=CCCCCC[C@@H](CCCSC)NCCC 401616568 NZVNSQQCPDXLHJ-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C#N)CCc2ccccc21 402257852 CZYDPHKFFFTRSG-SWLSCSKDSA-N 281.321 4.763 30 10 CJEE C=CCCCCC[C@@H](O)c1cscc1Br 404696605 BDOKSZHDBFUTIY-GFCCVEGCSA-N 289.238 4.681 30 10 CJEE CC(C)[C@@H]1C[C@H](NCC2CCC(C#N)CC2)c2ccccc21 442865474 FYHRCEJFGRKPBM-PNGKTBNWSA-N 296.458 4.791 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(c1ccccc1)C1CCCC1 466876633 IETJJEDLTJHHRO-OAHLLOKOSA-N 271.404 4.565 30 10 CJEE COC1CCC(OCCCCCCCCCS)CC1 686242619 FNSBGTHPKXEBOQ-UHFFFAOYSA-N 288.497 4.621 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(Cl)c1 686678176 NCJSCLPKLQTKBD-INIZCTEOSA-N 263.812 4.574 30 10 CJEE C#CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC 686690912 CRSPHLAZGHSMJD-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC 686693855 YUBAUWVQKBFYDW-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](O)c1cnc(C2CC2)s1 687878764 YXHBJJFGWUYFDH-ZDUSSCGKSA-N 267.438 4.805 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](CC)CC(F)F)C1 688767368 PBFPXQFUYNDXFX-VNHYZAJKSA-N 260.368 4.843 30 10 CJEE N#Cc1ccc(Cl)cc1NC1CCC(C2CCC2)CC1 696132034 CAZDVRQHBHXEOH-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE C[C@@H]1CCC[C@H](N(C)C[C@@H](CS)c2ccccc2)CC1 697835167 IHEBLZUJZZWMPD-NJAFHUGGSA-N 291.504 4.601 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1C1CC1 699124313 VWQAUOCMVJRYTA-BBWFWOEESA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@@H]1C1CC1 699159558 QTIRGEHIURANMH-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE CCSc1cccc(NCC2CC(C)(C)C2)c1C#N 701968735 GFWFWEPKTPTKSB-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE SC[C@H](CSCc1ccccc1Cl)C1CC1 702037270 OMAWMNUBSVTGQU-GFCCVEGCSA-N 272.866 4.529 30 10 CJEE CCCCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 703761992 RKDMWPDVGABGHP-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE CC1(C)CCC[C@@H](Nc2cccc(Cl)c2C#N)CC1 704909049 ZBKYCBCMKIICTP-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CC[C@@H](N2)[C@H]1C 709473828 GMRCVVRTDDQDLC-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1 710670231 SAUMIQZSUIYZSU-SWLSCSKDSA-N 257.849 4.714 30 10 CJEE C=CC[C@H](C)[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715008703 FUOHYURXVASVFD-JVULPWBXSA-N 262.437 4.556 30 10 CJEE CCCCCCCCCCNC[C@H]1CC[C@H](C2CC2)O1 715470240 HXSJWCFPEPDNDL-QZTJIDSGSA-N 281.484 4.674 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C(F)(F)F)c1F 715752767 LEGINLDOQMWFMF-IINYFYTJSA-N 289.316 4.707 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CC(C)(C)CO1 717025538 JYYHTZPCMACJOV-CVEARBPZSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCCC[C@H](CC[C@@H]1CO1)NC 718616681 RWCDWLUGIZBVEQ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C#CCCCCCC(=O)c1csc(C(F)(F)F)c1 718656712 KVMNKGORQYVIEX-UHFFFAOYSA-N 274.307 4.533 30 10 CJEE CC1(C)CCCCC[C@@H]1/N=C1/NC2(CCCC2)CCS1 718966927 SWOVHHXCILHVRT-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=C1CCC(CNC2CC(c3ccc(Cl)cc3)C2)CC1 724447645 YDWDJHHHGGVTAU-UHFFFAOYSA-N 289.850 4.922 30 10 CJEE C=C1CCC(C[C@H](Cc2ccccc2)NCCC)CC1 724550584 SYYVKSADDQRCFH-IBGZPJMESA-N 271.448 4.734 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2C[C@@H]3C[C@H]3C2)CC1 724605379 KPEQRSHODPGRCG-BQFCYCMXSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H](C)CC(C)(C)C)CC1 724605870 CXMDLGUETUTGAO-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE Cc1c(C=Nc2ccccc2Cl)c2ccccc2n1C 1083894299 NBUSEMPJWHPBAG-UHFFFAOYSA-N 282.774 4.891 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1CC1CCCCC1 1136466695 BMDNHBYFVKGXEQ-WBVHZDCISA-N 277.452 4.550 30 10 CJEE C#CCCN[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 1169065172 IFRAYRDRAOBUKK-LBPRGKRZSA-N 289.831 4.742 30 10 CJEE C=CCN(CC1CCCCC1)CC1(CCCOC)CCC1 1180293177 WNVAIVMATOHVSD-UHFFFAOYSA-N 293.495 4.652 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 1206644880 KMIAEOFMOWALER-XGUBFFRZSA-N 273.411 4.759 30 10 CJEE C=CC[C@H]1N(C(=O)NCCCC(C)(C)C)CCCC1(C)C 1222138342 DQNORIALSDSGID-OAHLLOKOSA-N 294.483 4.589 30 10 CJEE C=C[C@H](OC(=O)/C=C\C1CCCCCC1)c1ccccc1 1279070611 UDOZHNCIXDNTLO-OUFNUQFJSA-N 284.399 4.984 30 10 CJEE C=C(C)[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(F)c1 1307698043 LBCUGEZISLNQHI-FHKFTOANSA-N 291.385 4.608 30 10 CJEE C=CCCCC[C@@H](C)NCCCc1ccc(C)cc1C 1308901223 QWUFOEIVUWMQPI-GOSISDBHSA-N 273.464 4.961 30 10 CJEE CCCCCCCCC(=O)N1c2ccccc2C[C@H]1C 1347876269 BSJGMZOBUHPHCU-OAHLLOKOSA-N 273.420 4.715 30 10 CJEE C=CCCCCN1CCC[C@@]1(C)Cc1cccc(C)c1 1460554474 HFKWSSHKXHLDTM-IBGZPJMESA-N 271.448 4.748 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCc2cc(Cl)cc(Cl)c2)C1 1461120888 PQRSENVDTPXYSW-WBMJQRKESA-N 298.257 4.870 30 10 CJEE C#Cc1ccc(CN[C@H](C)Cc2ccc(C(C)C)cc2)cc1 1474073815 TUNPVOCSZKZQGK-QGZVFWFLSA-N 291.438 4.512 30 10 CJEE C=CCCCCCCCN[C@H](C)C1CCSCC1 1474564164 DFGDQWXTYTWKLN-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 1525338098 NBRYFHOGZBFXHO-LJQANCHMSA-N 299.458 4.831 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1CC(C(C)(C)C)C1 1531084665 BNHRIXUNHHIWOB-UHFFFAOYSA-N 291.479 4.654 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC(C)C)c1ccc(Cl)cc1 1534992147 QLUJINHWDLEMJG-AWEZNQCLSA-N 293.838 4.931 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cccc(OC(C)C)c1 1537363506 XUUIJXAFBWAGAX-GJZGRUSLSA-N 290.403 4.680 30 10 CJEE C=CCCc1ccccc1NC(=O)C=C1CCC(C)CC1 1539611344 DPCLPBXGBBVDBZ-UHFFFAOYSA-N 283.415 4.880 30 10 CJEE C=CCCCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1559591414 ZOGAABKTLXOFSM-ZIAGYGMSSA-N 265.828 4.730 30 10 CJEE C=CCC1(NC(=O)NCC[C@H](C)CC(C)(C)C)CCCC1 1564569260 UPDURPMYWVJXGU-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCc2cccc(C(C)C)c21 1583986149 FTMOKAZHRVGYLF-UHFFFAOYSA-N 297.442 4.858 30 10 CJEE C=CC(C)(C)CCCNC(=O)C(C)(C)C1CCCCC1 1597112119 AROBXIYDOQZXDY-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CCCC1(CNC(=O)/C=C/C2CCCCC2)CCCC1 1617474356 FXXHPYLYTZOYQS-VAWYXSNFSA-N 289.463 4.766 30 10 CJEE C=C(CC)CN(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 1619456386 HJZPRLBZDUWWTJ-OAHLLOKOSA-N 293.838 4.624 30 10 CJEE C=CCCCCC[C@@H](C)NCC1(OC)CCCCCC1 1621556386 DSVYUHUKVDBBLZ-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H](C/C=C/C)C1)c1ccccc1 1631189213 SXEIQMAEWQKSBS-YBXYLWMYSA-N 297.442 4.551 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H]1C[C@H]1c1cccc(F)c1 1644389345 PQGJXKIQGJWKEX-PKOBYXMFSA-N 299.364 4.509 30 10 CJEE C=CCC[C@H](NC[C@H]1CCCC(C)(C)O1)c1ccccc1 1645079593 BEFWJGSSXDNPQY-MSOLQXFVSA-N 287.447 4.631 30 10 CJEE CCCCCCCCN1CCS[C@H]2CCCC[C@@H]21 1653498507 WLRYRIATSOGGHD-HOTGVXAUSA-N 269.498 4.707 30 10 CJEE C=C(C)CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1653575331 PKYRAIWWSAXECB-HNNXBMFYSA-N 297.364 4.851 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2C[C@H](Sc3ccccc3)C2)C1 1657760676 GQCKKQRUGDMMKW-OVWQWFNUSA-N 287.472 4.644 30 10 CJEE C=C(Cl)CN[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1659904183 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CCC(C)(C)c1ccc(OC[C@H]2CO2)c(C(C)(C)CC)c1 20554749 WHFAHZBOVCSEEU-OAHLLOKOSA-N 290.447 4.839 30 10 CJEE CC[C@H](C)c1ccccc1OCc1cc(C#N)ccc1F 21513294 GXIRSGJXMRKNAF-ZDUSSCGKSA-N 283.346 4.790 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)C2CCCCC2)C1 35250513 MKZBDMSEVSZSIB-SOLBZPMBSA-N 276.468 4.750 30 10 CJEE Cc1cc(C)cc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 37306396 YVXAUDFBLOQHOM-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE C[C@@H]1CCC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 37306489 NSFDISJJNOMPBJ-PWSUYJOCSA-N 283.293 4.535 30 10 CJEE Cc1cc([C@H](C#N)Nc2cccc(Cl)c2)c(C)s1 49687525 NTKAEYMHCFNLEW-AWEZNQCLSA-N 276.792 4.695 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)Cc1ccco1 59434598 WPKSPWZEPAKQIG-CABCVRRESA-N 251.414 4.549 30 10 CJEE C=CC[C@H](SCCN1CCCCCC1)c1ccccc1 72264424 OVAQRPBERYNAMI-SFHVURJKSA-N 289.488 4.913 30 10 CJEE CC(C)(C#N)CCNc1cc(C(F)(F)F)ccc1Cl 87590812 ZWWJMQICSOFNBB-UHFFFAOYSA-N 290.716 4.711 30 10 CJEE Cc1ccc(C)c(C[C@@]2(C#N)CCc3ccccc3C2)c1 87998210 HWIKUHBRYWLJEG-HXUWFJFHSA-N 275.395 4.545 30 10 CJEE CC(C)(C#N)CCCNc1ccc2sccc2c1 88120403 IRXFYTCQPBDVCD-UHFFFAOYSA-N 258.390 4.643 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 91881550 MSGJUJQOXPMPKR-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE N#Cc1ccc(Sc2cccc(F)c2)cc1Cl 94623116 KLBJZQKOCNTIKH-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1C[C@@H](C)CS 107655661 WEMJJGSILBTABB-MRVPVSSYSA-N 279.232 4.501 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)cc(F)c1 109729874 QVEHGBYVGPIWGQ-HNNXBMFYSA-N 255.352 4.715 30 10 CJEE CCCCCCCCCCOc1cccc(C#CCO)c1 109750471 IWLWXWSDGUMMIK-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE CCCCCCCOC1(CNC2CC2)CCCCCC1 110067739 OKSRZZWDHVLKSI-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C)cc1O 115858570 JJSHOGFXGZHTKM-UHFFFAOYSA-N 277.408 4.780 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)CC(C)(C)C)NN 122282377 CVVUMKAPERYFNN-HUUCEWRRSA-N 256.478 4.641 30 10 CJEE CC1(C)CCC(Oc2ccc(Cl)cc2C#N)CC1 125268660 DRFIZDHFSUPCOV-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE C=CCN(CCC)c1ccccc1[C@H](CC)NCCC 127793590 AWDRPYJGFQIBQD-KRWDZBQOSA-N 274.452 4.540 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccc(F)cc1Cl 128922615 BRKQUCZUQUHNBR-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE N#CC1([C@H](O)c2cccc(C(F)F)c2)CCCCCC1 132323627 QKRZWZOTTPBZBV-CQSZACIVSA-N 279.330 4.522 30 10 CJEE CSc1cccc(NCc2ccc(Cl)cc2)c1C#N 136617150 XSJDSQBVANWJIP-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cc(C)nn1C 139499153 NKALNMRNQUTYGX-QGZVFWFLSA-N 293.499 4.910 30 10 CJEE CCCCCCCCC[C@@H](N)c1snnc1CCC 139528525 IRPLCHVHTWXCNR-CYBMUJFWSA-N 283.485 4.631 30 10 CJEE CCCCCCCCCC[S@](=O)c1cc(F)ccc1N 165884711 TXPGGSQHZGRHRS-HXUWFJFHSA-N 299.455 4.656 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165993629 LEFGEJFQOWMAOR-OSAQELSMSA-N 279.836 4.902 30 10 CJEE CC#CCC[C@H](NCCC)c1cccc2ccccc12 168117135 OJNAMGUIOFHKLE-IBGZPJMESA-N 265.400 4.684 30 10 CJEE C[C@H](SCc1ccc(C#N)c(F)c1)c1cccc(C#N)c1 191024675 RVSXOHWYCBMBQF-LBPRGKRZSA-N 296.370 4.563 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1cncn1C 213650645 KQEMSHDHRBAKDB-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CCCC[C@H](CCC)NC(=O)C(C#N)(CCC)CCC 226029327 ZFQUPAZWIRVPNC-HNNXBMFYSA-N 280.456 4.572 30 10 CJEE N#Cc1ccc2cc(Oc3ccccc3Cl)ccc2n1 230093060 WJZUKYFOZMFHIS-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC[C@@H](C)c1ccc(Oc2cc(C#N)cc(C)n2)cc1 232342166 FEMUPKABCFODHW-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE Cc1cccc(N[C@H](C)c2csc(Cl)c2)c1C#N 235254445 SNPBDYXVQIXGQG-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@H](C)[C@@H]1O[C@@H]1C 251028278 BDZSMQRMDKOWRZ-YRNRMSPPSA-N 296.410 4.540 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CO[C@H](C)C1 252898471 FXIVDSFGPADLNV-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1 254405441 VEBKNLDTCCZJET-UHFFFAOYSA-N 284.362 4.558 30 10 CJEE CC(C)(C#N)Cc1cc2cccc(Br)c2s1 260194665 IRHNFBZQQHYKMP-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE C[C@H](CC#N)c1cc2ccc(Br)cc2s1 260198569 YPFLAIQATJUBEC-MRVPVSSYSA-N 280.190 4.681 30 10 CJEE Cc1cc(Oc2cccc(Cl)c2C#N)c(Cl)cc1N 312053266 CYJDBQFPVRZHFQ-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1coc2ccccc12 312212708 QRQNGRJXKBGMPP-MRXNPFEDSA-N 269.388 4.523 30 10 CJEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(C)c1 312767843 LJDYKWYPFXDUKF-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC(CC)(CC)C1 313635821 ZRDWKNSULPKVOE-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316763377 SIVRMFAWWPZCDV-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(CSC)c1 327428748 HYICSOUHLFCOOH-MRXNPFEDSA-N 265.466 4.910 30 10 CJEE CCCCCCCOc1cccc(CNC2CC2)c1Cl 328484032 QNTBCQRAJUEJOD-UHFFFAOYSA-N 295.854 4.941 30 10 CJEE CCCCCCCCCCCC[C@H](N)C1[C@H]2COC[C@H]12 386040497 YLEMPMILFVKLOA-ULQDDVLXSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](NC)C1CCSCC1 401915247 SDZXPDKOKQHQMX-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE CC(C)(C)c1csc(CSc2ccccc2C#N)n1 447351283 XOZOAFPJWJMINW-UHFFFAOYSA-N 288.441 4.605 30 10 CJEE N#CCCCOc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1 507469082 JGNNCARXNKHOBF-OALUTQOASA-N 298.430 4.750 30 10 CJEE C#CCCCCC[C@@H](CCCCCCC)NCC 686686333 HECPJTRYOMITQU-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C#CCCCCC[C@H](CSc1ccccc1)NCCC 686697619 QVQXIFHKDLIFBR-QGZVFWFLSA-N 289.488 4.731 30 10 CJEE CC[C@@H]1CCCC[C@@H]1/N=C1/NC2(CCCCC2)CCS1 687317929 AIMFMRKEXHTHGT-CABCVRRESA-N 294.508 4.741 30 10 CJEE C=CCC1(Nc2nc(Cl)nc3ccsc23)CCCC1 690722577 LWAYTBAPYUWYIL-UHFFFAOYSA-N 293.823 4.646 30 10 CJEE CCCCCCCCCCNC1C[C@@H]2[C@@H](C1)C2(F)F 693410972 OLNOKHGOSPGHKS-HUUCEWRRSA-N 273.411 4.760 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(C)c3C)C[C@@H](C1)C2 697304087 IBSCEWJAJHSFRW-SJPCQFCGSA-N 255.405 4.850 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 701251646 RAZSVXLZJXSAJQ-DTWKUNHWSA-N 276.182 4.748 30 10 CJEE C=CCCC(C)(C)CNc1cc(C)c(C)cc1[N+](=O)[O-] 703973012 DORUVZOTEKPCHU-UHFFFAOYSA-N 276.380 4.616 30 10 CJEE N#CC1(Cc2cccnc2C(F)(F)F)CCCCCC1 707717517 RKAHMWYNEQTLKX-UHFFFAOYSA-N 282.309 4.507 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709383088 STVLYJYPYBATPY-FZMZJTMJSA-N 294.782 4.795 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1cccc(Cl)c1 709590308 MMKCETWIKHMMDA-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H](C)COCc2ccccc2)C1 719584306 RQISRDNIOVHSPS-LMMKCTJWSA-N 288.431 4.625 30 10 CJEE CC[C@](O)(CC1CCCCC1)C1(C#N)CCCCC1 720399415 KXCATMVVOJTCCC-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE CCCCCCCC[C@@H](NC)C1(C)CC(F)(F)C1 720486138 XNUAFEMGSCVJBO-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE C=C(CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 723610503 IHGOAFREQAKKGW-GUDVDZBRSA-N 269.432 4.648 30 10 CJEE Cc1cc(C)nc(CC2(C#N)CCC(C(C)C)CC2)c1 723645499 GLBJLJZPAFKCDA-UHFFFAOYSA-N 270.420 4.597 30 10 CJEE C=C1CCC(C[C@@H](CSc2ccccc2C)NC)CC1 724576626 ZZOGJXMCKMMXJI-KRWDZBQOSA-N 289.488 4.812 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2C[C@@H]2C2CC2)NCCC)CC1 724602674 MSTFFXSNOIBEMS-IPMKNSEASA-N 275.480 4.927 30 10 CJEE CC#CCCCC(=O)Oc1ccc2oc3ccccc3c2c1 1124279988 SJAZOSVVVKEQDI-UHFFFAOYSA-N 292.334 4.685 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@H](C)C2CCCCC2)c1 1125843250 TWTVHXGMTSXENX-INIZCTEOSA-N 297.442 4.627 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccc(CC)cc1)C(C)C 1129581324 ZXIUHQRUROKPDD-UHFFFAOYSA-N 273.420 4.593 30 10 CJEE C=CCC1(C(=O)Oc2cccc(C3CC3)c2)CCCCC1 1129940847 YDYKRWOEXIVQEZ-UHFFFAOYSA-N 284.399 4.996 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1C(F)(F)CC 1132769668 KYKORPNGFVQQIT-GFCCVEGCSA-N 281.346 4.729 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1157430159 WDBCXGASYPNOEN-MOPGFXCFSA-N 299.458 4.821 30 10 CJEE C=CCCCCCN1c2ccc(Cl)cc2C[C@@H]1C 1198829220 OWCKHWHHLLWZPX-ZDUSSCGKSA-N 263.812 4.837 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1 1264233402 QPWJINWJGRRJHV-UHFFFAOYSA-N 291.394 4.876 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cccc(Cl)c1F 1267323503 FJOUUKXGIYOSDO-ZUZCIYMTSA-N 284.758 4.686 30 10 CJEE C=C(CC(C)C)C(=O)N1CC2(CCCCCC2)[C@H]1C(C)C 1302538104 HBLWYMWEVKRPKO-QGZVFWFLSA-N 291.479 4.796 30 10 CJEE N#Cc1ccc(CN2CCCC23CCCCC3)c(Cl)c1 1307587704 DATWYICCBZBUTQ-UHFFFAOYSA-N 288.822 4.510 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1Cl 1308781993 KCQARODILNJEJX-WCQYABFASA-N 269.791 4.875 30 10 CJEE C=CCC(C)(C)C(=O)Oc1cc(Cl)ccc1Cl 1350805961 CNVNRZZEDJJQEB-UHFFFAOYSA-N 273.159 4.501 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)c2ccc(C)s2)CCCCC1 1351539016 GFRKPHJNSKHLAS-AWEZNQCLSA-N 291.460 4.760 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(-c2ccncc2)ccc1C 1434964071 SUROPJUJKBGMOY-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE C=CC(C)(C)CC(=O)NC1CCC(C)(c2ccccc2)CC1 1435528395 PPEKWKGIGAAOMX-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=CC(C)(C)CCCNc1nc2cccc(F)c2s1 1472870210 JIMZUTHWCWSEJQ-UHFFFAOYSA-N 278.396 4.840 30 10 CJEE C=CC1(CC(=O)Oc2ccccc2OCC)CCCCC1 1524149520 GGMYODXXLTYPPY-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=CCC[C@@H](C(=O)N(CCC)CC(C)C)c1ccccc1 1525510026 KVWATQSKUCIBNI-GOSISDBHSA-N 287.447 4.631 30 10 CJEE C=CCN(C(=O)c1cccc(C2CCC2)c1)c1ccccc1 1525887206 BNCUDZCKRYXGPW-UHFFFAOYSA-N 291.394 4.787 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)/C=C/C1CCCCC1 1531084791 FPHKTVGIWQHHRC-BUHFOSPRSA-N 289.463 4.718 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](CCC)c1ccc(F)cc1F 1533885796 VEIUARFYFILLCE-HNNXBMFYSA-N 295.373 4.525 30 10 CJEE C=CCC(C)(C)C(=O)NCC1(Cc2ccccc2)CCCC1 1537294403 CEZKPKLTFUKKKC-UHFFFAOYSA-N 299.458 4.508 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(CCCC)cc1)c1ccccc1 1540429781 JQABWGJKKAEUQZ-LJQANCHMSA-N 293.410 4.938 30 10 CJEE C=C[C@@H](C(=O)N(CC)c1cc(C)cc(C)c1)c1ccccc1 1545022696 UFQGGINONAPAHX-LJQANCHMSA-N 293.410 4.626 30 10 CJEE C#Cc1cccc(CNc2nc3c(C)cc(C)cc3s2)c1 1559210655 AJPJCYQHFXIOOQ-UHFFFAOYSA-N 292.407 4.507 30 10 CJEE C=CC[C@H]1CCN1[C@@H](C)c1ccc(Cl)c(Cl)c1 1560206274 UNVLPTBXDYVQDU-JQWIXIFHSA-N 270.203 4.705 30 10 CJEE C=CCCCCCCCNC(=O)C1(c2cccc(C)c2)CC1 1584289067 QDRVWQSNUZJBRH-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(C)C)oc1C 1586139330 BXVWOBBKOYUVKV-GDBMZVCRSA-N 289.419 4.576 30 10 CJEE C=CCCCCCNC1(c2nc(C)cs2)CCCC1 1616152712 KWQCXVFSAQGUTD-UHFFFAOYSA-N 278.465 4.557 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCC[C@H](CC)C1 1621219492 ARBDBORKYQTJIP-JKSUJKDBSA-N 277.477 4.953 30 10 CJEE C=CCCCCCCNc1ncnc2sc(CC)cc12 1639891513 QIOPCOPKWVWOIE-UHFFFAOYSA-N 289.448 4.802 30 10 CJEE Cc1ccccc1SC[C@@H](C)COc1ccccc1C#N 1640720201 ARXDKEAQOWUMLF-AWEZNQCLSA-N 297.423 4.674 30 10 CJEE C=Cc1ccc(C(=O)NCCCCCCCCC)cc1 1648438241 AJEDUYUHSVHHLN-UHFFFAOYSA-N 273.420 4.810 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cc(C(C)C)ccc1O 1651814086 JMTKEVGMYAAKTP-UHFFFAOYSA-N 295.426 4.704 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cccc(N2CCCC2)c1 1653038240 RKZIHUDZSOVQLE-SFHVURJKSA-N 298.474 4.521 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 1657906501 QETDLBUWDUCOEE-QANKJYHBSA-N 273.395 4.538 30 10 CJEE C=CC[C@H]1N(Cc2ccc3[nH]ccc3c2)CCCC1(C)C 1657930613 DBXIMQAQFIQDCY-GOSISDBHSA-N 282.431 4.735 30 10 CJEE C=CCCC(C)(C)NCc1ccc(OCCC)cc1C 1658342496 FYNHMWTZQPZEKU-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE C#CC[C@@H]1CCCN(Cc2cccc(C3CCCC3)c2)C1 1659519932 KGJIHJMGSGLETI-QGZVFWFLSA-N 281.443 4.580 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(-c3ocnc3C)cc2)C1 1665705434 HSXOMVQMNFIMTF-PBHICJAKSA-N 282.387 4.807 30 10 CJEE C=CCC(C)(C)CNC(=O)NC1CCC(CC)(CC)CC1 1672342849 SOHCGKIMDXSCTC-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC3CC2C3)CC1 1876903116 LMYCZRLFFLNKFV-HIEASXQVSA-N 261.453 4.537 30 10 CJEE CC#CCCCC[C@H](NC)C1CCC(C(C)C)CC1 1885236414 MALDWPRRCSYBDM-ABHNRTSZSA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H](CC)C(C)(C)C)NC 1888676116 VBZHGUCUTFXUOO-DLBZAZTESA-N 259.437 4.750 30 10 CJEE C=CCC(CC=C)NCc1cc(Cl)sc1Cl 1899318504 OWHBXFHRSBDTCI-UHFFFAOYSA-N 276.232 4.665 30 10 CJEE C[C@H]1CCC[C@@H]1CN=C1NC2(CCCCCCC2)CS1 1911902479 KJNVJYXIPLBKQS-LSDHHAIUSA-N 294.508 4.598 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCCC)C1CCCC1 1920902741 BVBRPRWFIZDXPA-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)C(C)(C)C)C1 1921035121 XZKHALNZDIRVMA-MRXNPFEDSA-N 265.441 4.530 30 10 CJEE CCC[C@H](C#N)[C@H](O)c1ccc(-c2ccccc2F)s1 1921074554 RIMJUBBTKYOZKU-BZNIZROVSA-N 289.375 4.527 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCC(C)C)NCC 1921148214 OMBAUDFBZFYAJB-DLBZAZTESA-N 271.489 4.512 30 10 CJEE C=C([C@@H](NCC)c1ccc(Cl)c(F)c1)[Si](C)(C)C 1922864381 YSZNHQKKWHTKMY-CQSZACIVSA-N 285.866 4.563 30 10 CJEE C=C([C@H](NCC)[C@H]1CCC[C@@H](CC)C1)[Si](C)(C)C 1922962511 KKVRTXKDXUTFFX-PMPSAXMXSA-N 267.533 4.615 30 10 CJEE C=C([C@H](NCC)[C@]12CCCC[C@H]1CCC2)[Si](C)(C)C 1923012652 KBEBYYBSYBKPOF-ULQDDVLXSA-N 279.544 4.759 30 10 CJEE C[C@@H](C(=O)CC#CC1CCCCC1)C1CCCCC1 1924096690 FTVTYZAVGXOMOU-OAHLLOKOSA-N 260.421 4.746 30 10 CJEE CCCCCCCCC[C@H](CC1CC(C(F)F)C1)NN 1927022878 YQIUVCFNGCDIFH-YMAMQOFZSA-N 290.442 4.640 30 10 CJEE CC1(C)CCC(CC2(C#N)CCSCC2)CC1 1942123088 GAXKXGZFZZIOIZ-UHFFFAOYSA-N 251.439 4.630 30 10 CJEE C=C(C)CCN(Cc1ccccc1)Cc1ccccc1 1953126824 FROMINMIHQDNIK-UHFFFAOYSA-N 265.400 4.655 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)CC1 1964591681 JTLPOERDZOTJHD-GVDBMIGSSA-N 251.458 4.926 30 10 CJEE CC(C)[C@H](/C=C/B1OC(C)(C)C(C)(C)O1)c1ccccc1 1975298095 INAXKHVOCVXMLH-DBTPVHCXSA-N 286.224 4.614 30 10 CJEE CCCCCCCCCN[C@H](C)c1cnsc1 1998186567 DEGITSSZLKJGHT-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCCCCCCCc1ncc(C(C)=O)s1 2014457427 WJQRDJDDIJHZCC-UHFFFAOYSA-N 253.411 4.639 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1Cl 2023186101 BYTWZFJCTZHZAB-IUCAKERBSA-N 267.155 4.532 30 10 CJEE C=CCCCCCC[C@H](N)c1cscc1CC 2026021598 KMDRWWIJDCTVSG-HNNXBMFYSA-N 251.439 4.837 30 10 CJEE C=CCCCCCCCC[C@]1(N)CCCSC1 2026309573 GHJOSMHZHKATIU-HNNXBMFYSA-N 255.471 4.518 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1(C)C(C)(C)C1(C)C 2027150249 IOFXDTNHKHRLRQ-ZIAGYGMSSA-N 251.458 4.639 30 10 CJEE CCCCCCC[C@]1(C)Nc2c(F)cccc2O1 2027859438 FVLQJNHLRUHIBC-OAHLLOKOSA-N 251.345 4.707 30 10 CJEE N#CC1(Sc2cccc(Cl)c2)CC(C2CCC2)C1 2029291318 MGVJVVZGURRJCD-UHFFFAOYSA-N 277.820 4.905 30 10 CJEE CC(C)CC[C@H](C)[C@H](C#N)Sc1cccc(F)c1 2029831297 SYOHMHXBLZWKFM-WFASDCNBSA-N 265.397 4.882 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1ccsc1Cl 2031368276 RSHMGVHXGRUPSJ-QWHCGFSZSA-N 289.872 4.513 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](CC)COC 2034926682 CSCRUPLWSYXZGM-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE CCCCCCCC[C@@H](O)c1ncsc1C1CC1 2038772853 AXEIDYOZFKBBJZ-CYBMUJFWSA-N 267.438 4.805 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)C1(CC(C)C)CCCC1 2040530028 OGQDYWGJJMHORG-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](C)[C@@H]1C[C@@H](C)CC[C@H]1CNCCC 2040535493 ZYGUDOMBHPVLCO-QAETUUGQSA-N 251.458 4.641 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2040536060 DHBMZKWBLBFDIQ-DMRKSPOLSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@H]1CCCC(F)(F)[C@H]1N 2042031503 UMKKJCMPWNKBHK-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCC[C@@H]1CCC(F)(F)[C@@H]1N 2042042210 KCLIYNBNDINPLZ-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C=C([C@H](NCC)[C@H]1CCCC[C@H]1CC)[Si](C)(C)C 2045799985 QTKHMPHLZQBWNL-PMPSAXMXSA-N 267.533 4.615 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2CC23CCCCC3)CCS1 2047025055 YWPCUPBDYILRLI-KFWWJZLASA-N 263.450 4.772 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@]1(C)CCCCC1(F)F 2048978838 VDACBIWWAIJDIK-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CC1(CCc2ccccc2C(F)(F)F)CCC1 2049023010 PCGFCQVEDBQLDK-UHFFFAOYSA-N 254.295 4.994 30 10 CJEE C=CC1(C[C@H](N)c2cc3ccccc3s2)CCC1 2049039452 FSAQXPVCDOMAAY-ZDUSSCGKSA-N 257.402 4.648 30 10 CJEE CCCCCCCCCCO[C@H](CC)[C@H](N)CC 2056177611 REBMDWJHFBCZFS-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE C=CCCCC[C@H](NCC)C(C)(C)CC(F)(F)F 2059124599 WUIBPANAFREBQH-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE CC[C@@H](CCC(C)C)Nc1cccc(Cl)c1C#N 2066079317 ULKARYZFFPOEIV-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2(C(C)(F)F)CC2)C1 2071266038 ZZVZRASGXJMBCO-TZMCWYRMSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C[C@H]1C1CC1 2074946212 VDYNPVUUGKYCAS-SJORKVTESA-N 251.458 4.715 30 10 CJEE CCCCCCCC[C@@H](O)CCC[C@@H]1CC1(F)F 2075445395 HFUMFLILNJIMPR-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCCC 2076517899 XAQNZJVXPZQOGY-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE C=C(CC(Cl)(Cl)Cl)c1ccc(F)cc1 2080106313 WZXMJSKPIMJSTG-UHFFFAOYSA-N 253.531 4.599 30 10 CJEE CCCCCC#CC[C@@](O)(CCC)C1CCCC1 2083397325 MYUBBZUDOBRMFI-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE CCCCC#CC[C@@H](C[C@H](C)C(C)(C)C)NCC 2083430140 HEXUCXVHJZJYGS-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCCCC#CCC(=O)[C@H](CC)CC(F)(F)F 2083493631 HMMYNOLDFDNIOK-GFCCVEGCSA-N 262.315 4.508 30 10 CJEE C#CC(C)(C)CC(=O)c1ccc(-c2cccs2)s1 2085086451 SZAVWHJHVNLOAZ-UHFFFAOYSA-N 274.410 4.709 30 10 CJEE C=CCCCCCC[C@@H](O)c1cccc(SC)c1 2085916490 VNDBIUOMUPAWLV-MRXNPFEDSA-N 264.434 4.969 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)cc1C 2087876300 CQZFINRRLOQMPE-KRWDZBQOSA-N 279.855 4.771 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc2c1CCC2 2090237414 ACAVUPYKMKEPGU-GOSISDBHSA-N 260.421 4.959 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1ccc(Cl)cc1C 2090887226 NZVCMCNXZWUCLD-HNNXBMFYSA-N 282.811 4.553 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(O)CSCC 2090913926 UUZIDNAODRZLNP-MRXNPFEDSA-N 288.497 4.590 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CCCCCC)NCC 2092175550 BKQGFTIBMHTYKI-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCC[C@@H](CC#CC1CCCCC1)NC 2093442494 ACDUIOBPJGADMX-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H](CC)COC 2096048561 XNGMYNXJSHPDKZ-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE C=CCC[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC 2096542830 QOLGYJWYGHPALJ-KURKYZTESA-N 257.421 4.515 30 10 CJEE C=C([C@@H](CC12CCC(CC1)C2)NCCC)[Si](C)(C)C 2100917414 XUBFSGJCKUTVMQ-AQFXKWCLSA-N 279.544 4.759 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C12CCC(CC1)C2 2101387993 DEDRHOXZIMTIEJ-XMOBOOAESA-N 261.453 4.680 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)C1CC1 2101999111 GKLIEFKTBGVFHN-KBXCAEBGSA-N 257.421 4.500 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1oc2ccc(F)cc2c1C 2102097569 CWAODSQNUBTOPH-BMIGLBTASA-N 262.324 4.516 30 10 CJEE C=C1C[C@@H]1CC1(CNC(C)(C)C)CCC(C)(C)CC1 2102471199 OBRFAUOTOFJVQX-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2 2102476572 FVSLTJDHLGMIQI-ZJPYXAASSA-N 261.453 4.681 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)C1CCC(C(C)C)CC1 2102476653 GSFJNQOEJGLCAO-FOIPXRHGSA-N 263.469 4.783 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2(C)CC=CC2)CC1 2103819410 CMTDYKAVCJQDRW-QGZVFWFLSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCNC1C[C@@H]2CC(F)(F)C[C@H]2C1 2103964610 IRKLTLIQCAVQFD-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=CCC[C@@H](NC)c1ccc(-c2ccccc2F)s1 2107919780 ZXJJSCMUOISIJT-CQSZACIVSA-N 275.392 4.781 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)NN 2108234159 MOMZXCYZFQJDCV-VVLHAWIVSA-N 268.489 4.641 30 10 CJEE CCCCCCCNC[C@H]1CC12CCC(F)(F)CC2 2109469192 JWQRPLNDEFNMFA-CQSZACIVSA-N 273.411 4.762 30 10 CJEE C=C([C@@H](C[C@H](C(F)F)C(C)(C)C)NCC)C(C)(C)C 2111410079 WNUHJRALFBLXSR-CHWSQXEVSA-N 275.427 4.884 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H]2CCCC2(C)C)CCC1 2111712636 ZFHGGTBTZZLLKQ-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@@H](CC[C@@H]2CC2(C)C)NCCC)CCC1 2111720739 RSNMVRKLEDHESE-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE Cc1ccccc1NC1(C#N)CCCCCCCC1 2112438930 YADNWDGBWMHEOF-UHFFFAOYSA-N 256.393 4.804 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCCC(F)(F)C1 2112643377 KLTZZDXTAVLBGX-ZDUSSCGKSA-N 284.737 4.614 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)CCOc1ccccc1 2117009851 FWPMVHZXCACNNM-KRWDZBQOSA-N 257.377 4.566 30 10 CJEE CCCC[C@@H](CC)CN=C1N[C@@H](c2cccs2)CS1 2119010502 BWFMGYVPOOQKCB-CHWSQXEVSA-N 296.505 4.698 30 10 CJEE CCCCCCCCC(=O)[C@]1(CCC)CCCCN1 2119874773 OBVWXXCBBZSRCI-KRWDZBQOSA-N 267.457 4.619 30 10 CJEE CCC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(C#N)cc1F 2120885394 QNMRTNQNWYIRMA-HZMBPMFUSA-N 280.774 4.731 30 10 CJEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)C1CC(C)(C)C1 2120886188 XDFYRKYKLMVRDI-SECBINFHSA-N 280.774 4.587 30 10 CJEE C=CCCCC[C@@]1(N)CCCC[C@@H]1c1ccccc1 2123089665 UYJNGSLEOAZTAL-QZTJIDSGSA-N 257.421 4.788 30 10 CJEE Cc1cccc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)c1 2125212694 AKRLKYHWANRJEW-MRXNPFEDSA-N 256.389 4.950 30 10 CJEE CCC(CC)(CS)CN(C)[C@H]1CCCCCC12CC2 2126074765 XHLWCAXIRDUVRX-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H]1CCCCN1CC1CC2(C1)CC(C)(C)C2 2126869061 MEDQODOXGDNWQA-MRXNPFEDSA-N 261.453 4.633 30 10 CJEE C=CCCC[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)NCCC 2127027818 XXXFBKZHGMNCOH-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(Cl)c(NCC23CCC(CC2)CC3)c1 2128536761 FQWUPFRGJXGNTR-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)C1(C)CCCC1 2131211626 IXKPCRRXPJHJIX-SNVBAGLBSA-N 280.774 4.731 30 10 CJEE CCCCCCCC[C@@]1(C#N)CCOC12CCCC2 2133783329 OPIKEKXAGGZWJH-INIZCTEOSA-N 263.425 4.980 30 10 CJEE CCCCC#CC[C@H](NCC)c1cccc(C)c1Cl 2138987956 RQUGVKSJGODDAA-INIZCTEOSA-N 277.839 4.883 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(N)C1CCCC1 2139318287 AUFKAZXDNNOCPT-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1C[C@H]2CC[C@H]1C2 2141904894 GKSWBNYZCVYSJY-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@H](N)C1(C(F)(F)F)CCCC1 2141913488 ITAJTRRYGWFLEQ-ZDUSSCGKSA-N 277.374 4.963 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H](C)OCC(C)C 2141916177 IYHNDDSJDJAFAG-SJORKVTESA-N 269.473 4.552 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2CCCOCC2)CC1 2141980434 CRXYALBQRFATRC-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cnc(C)o1 2142443627 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C=C(C)CCCC[C@@H](OCCN)[C@@H](C)C1CCCCC1 2293572966 AUWSKGCZCNJMCV-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)OCCN 2293978293 LAVOWHCPVVUWSC-WNRNVDISSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCCN1CC 2295680497 ZIZMGDVDRDTFTA-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@@](C)(O)C1 2295681704 JDADSJYYXXISAS-RCCFBDPRSA-N 283.500 4.799 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)C1=CCCC1 2295688252 CSURRXSFXYJFCL-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE Cc1cc(C)cc(N=C2C=C(O)C[C@H](c3ccco3)C2)c1 2297746891 MISUIZFFGAOLDM-CQSZACIVSA-N 281.355 4.988 30 10 CJEE C=C(Br)CCOCc1ccc(F)cc1C1CC1 2301303128 NVASHODRYVPWRH-UHFFFAOYSA-N 299.183 4.518 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1F)NC 2310655107 XIGIZUNAXLAGAW-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=CCCC[C@@H](NC)c1cc(C2CC2)ccc1Cl 2317153846 BTTUFTHXTRTOSB-MRXNPFEDSA-N 263.812 4.834 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2319290064 BDHOZCMNDADMHG-ZDUSSCGKSA-N 286.246 4.789 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC1CC1)NCCC 2321117579 OTXCZEBZWZYEAO-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@H](CCCC1CCC1)NCCC 2321138766 ULKITFAJQNZLLN-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(F)c(C)cc1Cl 2321219525 JKZYURFRIVAJND-CABCVRRESA-N 270.775 4.813 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CC[C@@H]1C(C)(C)C 2321225926 ZUVUXPPYIALEJM-MPTYRVRUSA-N 252.442 4.802 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC(C)(C)C1)CNC(C)C 2321617125 SWZYPVHSJIYZNR-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE CCCC[C@](C#N)(CC)[C@H]1CCC[C@@H]1OC(C)C 2321635245 ZRBUTXXSIGHZGX-JYJNAYRXSA-N 251.414 4.690 30 10 CJEE CCCCCCCCCOC[C@@]1(CS)CC1(F)F 2326915562 XMPWXZBPBPWXOQ-CYBMUJFWSA-N 280.424 4.709 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)c1ccc(Cl)cc1 2327080239 MYNGFXGBRGCQLY-HNNXBMFYSA-N 285.884 4.758 30 10 CJEE CC(C)(C)[C@](C)(CS)COCCC1=CCCCC1 2327107814 ZJMONUDEDRNSON-INIZCTEOSA-N 270.482 4.876 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@H](F)C1 2327424939 CPYGGSBZPMCZNU-BZUAXINKSA-N 257.437 4.853 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2332700453 MWLZLBUVAGYEHA-FJIDUMEYSA-N 261.453 4.537 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@]12CCCC[C@@H]1C2 2333171152 WYZCSYKAVPPMBB-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](N)c1cc(CC)ccc1OC 2336688433 DFHRDQAKQRVDCE-MRXNPFEDSA-N 263.425 4.618 30 10 CJEE C=CCC(CC=C)CC[C@@H](NCC)c1ccccc1 2338725607 SOZBUFJNRQAGKC-GOSISDBHSA-N 257.421 4.886 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC(C)C)CCC[C@@H]1C 2338727253 JIKNBSKBPZJQIV-WMZOPIPTSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc(C)cc(C)c1C 2338738057 JNEYEGPNFYXIML-SFHVURJKSA-N 257.421 4.641 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1CC(CCC)C1 2338750137 PNSNEPSBKFLDIF-VJFUWPCTSA-N 263.469 4.949 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2CC[C@@H]2C(C)(C)C)C[C@@H](C)O1 2343371191 JPLXVXCWXHZHOI-CEEVZKBLSA-N 263.425 4.546 30 10 CJEE C=C1CC([C@H](C[C@H]2CCC(C)=C(C)C2)NCCC)C1 2343445883 PWIKFYBBULMPOW-WMZOPIPTSA-N 261.453 4.847 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@@H]1C1CCCCC1)NC 2344347000 XVUIZZIHIHDBPP-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC 2344385599 QJJOYHCDARYDFH-RZFLPCETSA-N 263.469 4.783 30 10 CJEE C[C@@H](N(C)C[C@](C)(CS)C(C)(C)C)C(C)(C)C(F)F 2352296125 SXUZJIFIBKAGDD-IAQYHMDHSA-N 295.483 4.580 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@]23CCC[C@H]2CSC3)CC1 2357967773 DRUBRRWZRTUVIW-KSZLIROESA-N 293.520 4.634 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CC[C@@H]2C[C@H]1CO2 2359117268 XBZBGLVCKMSWOR-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SC[C@@](C#N)(CC(C)C)NC(C)C 2360340448 PUUNLCUFOWUCTE-KRWDZBQOSA-N 294.508 4.547 30 10 CJEE CCCCCC[C@H](C)OCCCOc1cccc(C#N)c1 37138633 AGJPTCGUIBTLSW-INIZCTEOSA-N 289.419 4.703 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@H](C)CC(C)(C)C2)cc1 37935469 ZRRXLMVGELYSJJ-PBHICJAKSA-N 256.393 4.516 30 10 CJEE Cc1cc(F)ccc1CNc1ccc(C(C)(C)C#N)cc1 50569386 FKMSLJHBIRUAAP-UHFFFAOYSA-N 282.362 4.547 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2cccc(Cl)c2)cc1 57684936 FOEFVXGGZBGPMI-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE N#Cc1ccccc1/N=C/c1c(Cl)cccc1Cl 59459002 FMBBYUHZPFEDGQ-GIJQJNRQSA-N 275.138 4.616 30 10 CJEE N#Cc1cc(Sc2ccc(Cl)cc2)nc2ccccc12 68796730 JNFUCAQQYCPFGJ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1[N+](=O)[O-] 77085552 COIMRVBQFKYDHT-UHFFFAOYSA-N 298.342 4.586 30 10 CJEE CCCc1nc(-c2c(Cl)cccc2Cl)sc1C#N 82428457 PESZYWXOGBWGAV-UHFFFAOYSA-N 297.210 4.941 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2ccc(F)c(C)c2)c1 83204136 GFUGDMHCDDJUKP-JXMROGBWSA-N 298.357 4.819 30 10 CJEE CC(C)(C)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 83729513 UCPMGHCHPMLYRW-CQSZACIVSA-N 290.838 4.864 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C2CCCCCCC2)cc1 86580142 CBXBTJQPZFIWAW-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(C)(C)C#N)cc2)CC1 86881288 POGLFVSHJZUKCS-HOCLYGCPSA-N 270.420 4.868 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCOc2ccc(OC)cc2)C1 88415897 SBFZQIWGDHZXRN-MAUKXSAKSA-N 287.403 4.574 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)C1CCCCCC1 89561036 FNPDYZPKPWAXCN-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCCc2ccccc21 97208784 WVWHJUMZCBCAIU-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE CC(C)(C)C1CC(C#N)(Sc2cccc(F)c2)C1 97322658 FIDTYQWQQBRSAZ-UHFFFAOYSA-N 263.381 4.636 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)cc1)C(=O)O 103061100 GGQLGZGOZTYWTO-CQSZACIVSA-N 282.811 4.944 30 10 CJEE CC[C@H]1O[C@H]1CCc1c(Cl)ccc(Cl)c1Cl 107503753 XWOIURQWVTXRCO-MNOVXSKESA-N 279.594 4.757 30 10 CJEE CC#C[C@@H](C)Cc1cc(Cl)cc(C(C)C)c1OC 107631822 TWIVXPMXSWPSGE-GFCCVEGCSA-N 264.796 4.674 30 10 CJEE CCCCCCC[C@H](CN)N(Cc1cccs1)C(C)C 110020791 YIKQYUNBOIBJBB-MRXNPFEDSA-N 296.524 4.646 30 10 CJEE CCCCCCCCO[C@@]1(CNC)CCC[C@H](C)C1 110070367 DSNMKNXJUHXYAU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCN(CCC#N)CC(C)C 110247128 PKWUEHMQEGSEJK-UHFFFAOYSA-N 266.473 4.999 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)C)NC[C@@]1(C)CC 115225031 ZQAFTILREZFGBJ-RTBURBONSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1C(C)C 115234918 AWZNCLGDYPPQNU-RBUKOAKNSA-N 296.543 4.691 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OC(C)C)c1 115831293 RQQXTLGYHQVUDZ-KRWDZBQOSA-N 264.409 4.868 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CCOc2ccccc21 116266871 GKWFWSJELNGEIU-WBVHZDCISA-N 275.436 4.501 30 10 CJEE CCCCCCCC[C@H](N)Cc1c(F)cccc1F 122800573 BZUAIHNCFIBCPI-ZDUSSCGKSA-N 269.379 4.585 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(Br)o1 123516701 PJOUPYNVSGXGNT-NSHDSACASA-N 288.229 4.663 30 10 CJEE CCCCCCCC(=O)Nc1cc(C#N)ccc1Cl 124379286 WINMYICXJCXZFE-UHFFFAOYSA-N 278.783 4.511 30 10 CJEE CCCCCCCCNc1ccc(OCC)c(F)c1 126254216 CMPVDHCSKCNKNC-UHFFFAOYSA-N 267.388 4.997 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)N1CCCC1 161158253 RJSKFGKJSHXUHN-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CC[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 164145066 LSPCWVGQYNJRQN-ZWNOBZJWSA-N 282.309 4.568 30 10 CJEE N#C[C@@H](SC1CCCCC1)C1CCCCCC1 167873288 AWNVSERHLOIWNP-OAHLLOKOSA-N 251.439 4.915 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(C)cc2)C1 222243690 BKUSSSRRUUQCPS-YCPHGPKFSA-N 259.418 4.806 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCCCC1(C)C 226842514 JMGCKCIEMNBVMJ-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE Cc1ccc(S[C@@H]2C[C@@H](C)CC[C@H]2C#N)cc1C 227051095 IBYWCFRSNLCZOH-HZUKXOBISA-N 259.418 4.724 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2ccc(F)cc2s1 229739281 ZUAKXAPNESUXOL-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H](CC)c1ccccc1 229755425 SGXROGZVOGTTPX-MSOLQXFVSA-N 259.437 4.905 30 10 CJEE CCCCCCCCCCNC[C@@H](O)C(CC)CC 230476894 NKGRBVVJUIABQT-QGZVFWFLSA-N 271.489 4.514 30 10 CJEE C=CCCCCC[C@@H](N)C1CCC(C(C)C)CC1 232578959 ULZDSNSGANAVJN-OFLPRAFFSA-N 251.458 4.913 30 10 CJEE CCCC[C@@H](CC)CNc1ccc(Cl)cc1C#N 233057880 XDSCLUPHDQMIQQ-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1 235619891 ARPXPGNVMHZYFR-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@]1(C)CC 250830441 QPUKWYZOSDVDFW-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1C(C)(C)C 250831044 RDYUWCRECDNHLO-KURKYZTESA-N 296.543 4.691 30 10 CJEE Cc1cc(C)cc(N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 252460655 HEBCESKBCREBAC-UHFFFAOYSA-N 288.734 4.616 30 10 CJEE C=CCSc1ccc(CNC(C)(C)C)cc1Cl 302454231 OUQGQZJBTVNSPD-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cnc(OC)s1 311523937 DMFFJVONSKBIOP-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE Cc1ccc(N[C@](C#N)(CCC(C)C)C2CC2)cc1 311540939 IQLGAJVBTSSZIU-KRWDZBQOSA-N 256.393 4.516 30 10 CJEE CCCCCCC[C@@H](NN)c1ccccc1C(C)C 311792486 YNFYNRWNDRXCLE-QGZVFWFLSA-N 262.441 4.675 30 10 CJEE CCCCCCCCCC(=O)c1cc(N)ccc1F 312053775 DHGQBLLHFQZWQM-UHFFFAOYSA-N 265.372 4.731 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc2c(c1)CCC2 312420874 KITNZGXKTBHAAP-INIZCTEOSA-N 271.448 4.962 30 10 CJEE C=CCCCCCCNCc1ccc(OC(C)C)cc1 312467493 QUZPTZDFPLOMHN-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE N#C[C@]1(Nc2cccc(F)c2)CCCCC12CCCC2 312829377 UJULLHKNDVBXAN-QGZVFWFLSA-N 272.367 4.634 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 316542477 CAEUJOQXBNUCOJ-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)CSc1ccc(C)cc1 379913076 WKMDCRXRBFENPK-INIZCTEOSA-N 289.488 4.505 30 10 CJEE CCCCCCCCOC[C@H]1CCNc2ccccc21 380800510 YJCJASONXUWLOT-MRXNPFEDSA-N 275.436 4.963 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cc(C)cc(C)n1 383378241 RZPLMJOVXOEGIT-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE Cc1c(C(=O)C2=CCCCC2)ccc2ccccc12 384498567 OOWXWBXIKIMAKT-UHFFFAOYSA-N 250.341 4.831 30 10 CJEE C=CCCCCNC1CCC(c2ccccc2)CC1 388979507 YGADKTPIUXVZEF-UHFFFAOYSA-N 257.421 4.659 30 10 CJEE C=CC[C@H](CC)NCc1ccc(-c2ccccc2)cc1 393749708 BDHJSHJQXVIKDY-IBGZPJMESA-N 265.400 4.798 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1c(Cl)cccc1Cl 395076530 RBIINIJYZIVZPY-IINYFYTJSA-N 268.187 4.866 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)C1CCCC1 397134372 URNQSQQHAYVMBM-XJKSGUPXSA-N 290.838 4.663 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccc(Cl)cc1Cl 397619664 IGASNHVUICJSNS-VIFPVBQESA-N 271.191 4.591 30 10 CJEE CCCCCCCCCCC[C@H](Cc1cnsn1)NC 399831130 AEWHYJSSIYACRO-OAHLLOKOSA-N 297.512 4.590 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 403424219 SKXKXTHPRRVSBI-MFJUZZNBSA-N 262.437 4.988 30 10 CJEE Cc1[nH]c2ccc(C(C)C)cc2c1C1(CC#N)CC1 527396328 PKLZJXZQSIKYHX-UHFFFAOYSA-N 252.361 4.545 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(CC)ccc1CC 666234872 CTNOMMSULQNKSZ-CALCHBBNSA-N 298.430 4.526 30 10 CJEE CCCC(CS)(CCC)CN(CC)CCC(F)(F)F 688585798 HHKZMUMWGRBBFT-UHFFFAOYSA-N 299.446 4.777 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N1CCC[C@@H]1C1CCCCC1 688809865 RVZDCXQLLZRZRG-RCCFBDPRSA-N 274.452 4.504 30 10 CJEE CCc1ccc(CC)c(NC[C@H](C#N)C2CCCC2)c1 689511812 PKPVFFXUAJFHFW-KRWDZBQOSA-N 270.420 4.553 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)Cc2cccs2)CC1 690001048 MJPQELWQHYTOIW-ARWYELJZSA-N 291.460 4.542 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCOC1(C)C 693299069 RTFYCKWCVRUHEE-OAHLLOKOSA-N 268.441 4.901 30 10 CJEE N#C[C@H](Nc1ccccc1)c1cc2cscc2s1 693960119 UEFVPMROPUNGEF-LBPRGKRZSA-N 270.382 4.640 30 10 CJEE CCCCCCCCN[C@@H]1Cc2ccccc2[C@H]1C 698907580 DPENDQZJHDFRJN-CRAIPNDOSA-N 259.437 4.665 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(OC)c1F 701679241 LARGOIROZXNDIY-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE C=CCCCCCC(=O)c1cccc2cnccc12 702842295 YOKKFXWJNVJHSO-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCC[C@H]1CCCCN(c2cccc(SC)c2C#N)C1 703216272 BWSPTMVZALMWPF-AWEZNQCLSA-N 288.460 4.687 30 10 CJEE CCCCCCCNc1ncc(Cl)cc1Cl 703744239 OVYWSQRUGRPJDH-UHFFFAOYSA-N 261.196 4.771 30 10 CJEE O=CC1(CC2(c3ccccc3)CC2)CCCCCC1 704041602 ZABKBELCGZFQAW-UHFFFAOYSA-N 256.389 4.648 30 10 CJEE C=CCCCCC[C@@H](C[C@H](C)C(F)(F)F)NCC 705461846 UYMHVHVDHONVDC-STQMWFEESA-N 265.363 4.690 30 10 CJEE C[C@@H]1C[C@@H](N(C)c2cc(Cl)ccc2C#N)CC(C)(C)C1 709181978 FXSYQCXVCQCKJW-IUODEOHRSA-N 290.838 4.863 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H]2C[C@H](CN2)C1 709470927 RCMHCFMSGOEGNP-BBWFWOEESA-N 251.458 4.905 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C(C)(C)C)c1 709505232 BURPZAFTWGLGCQ-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCC2(CCCC2)O1 709509503 OQXUBKYFONNNET-SJORKVTESA-N 281.484 4.817 30 10 CJEE CC[C@H](CC1CC1)/N=C1/NC2(CCCCCCC2)CS1 713202959 ORVKWTSUBRAQGI-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Br)c(C)c1 715720618 OUQVNRXITBOZJM-IAQYHMDHSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCC 715794977 BAHNKCQWFCUADN-XHDPSFHLSA-N 286.246 4.726 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)Sc2ccc(F)cc2)C1 719379011 ZPQFWMHIUODDPB-LMOYCYGVSA-N 277.408 4.882 30 10 CJEE C=C1CCC(CN[C@@H](c2cccs2)C(C)C)CC1 724543266 XRPPMSMTYLVZTQ-MRXNPFEDSA-N 263.450 4.781 30 10 CJEE CCCCCC1=C(C)CCC1=NNc1ccc(C)cn1 727263365 ZTAXMGIIBSHNOP-UHFFFAOYSA-N 271.408 4.849 30 10 CJEE C/C(=C\C(C)(C)C)C(=O)N[C@H](CCCC#N)c1ccccc1 817325180 YYZGUFOAEYMTBR-IAOULYHDSA-N 298.430 4.530 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)/C=C/C1CCCCCC1 1124880957 SWDIRXYCRZKPKB-CCEZHUSRSA-N 297.442 4.728 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccccc1 1130934542 PTCNRWBDFCUXJT-IKGGRYGDSA-N 284.399 4.695 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(C2CCCCC2)c1 1131545910 QDSZJWWSYXQNNA-UHFFFAOYSA-N 271.404 4.885 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1132193703 VKHIORJHLYJJRG-GVDBMIGSSA-N 291.479 4.702 30 10 CJEE C=CCC[C@@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1168656577 FNIXRVIHJHYXCW-GDAAHCPNSA-N 269.432 4.720 30 10 CJEE C=CCC[C@H](CC)N[C@@H](c1ccc(OC)cc1)c1ccco1 1182396724 INSWXSXFUYOTRN-LPHOPBHVSA-N 299.414 4.712 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C3CCC3)cn2)C1 1206054828 HSORWEFEQNEGKL-CZUORRHYSA-N 256.393 4.506 30 10 CJEE C=CCC(C)(C)CNC(=O)NC1CCC(CCCC)CC1 1221346211 ZUSYHQYKILVDEW-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCOC(C)(C)C1 1258041266 RCMMJUVBRCQPQP-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=CC(C)(C)CC(=O)OCc1ccc(SC(C)C)cc1 1267941762 ZKLLATLLKVSKRN-UHFFFAOYSA-N 292.444 4.833 30 10 CJEE C=C(C)CCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1307522326 SXURZNLSJUCNHK-KGLIPLIRSA-N 265.828 4.730 30 10 CJEE C=CCC1(CN[C@@H]2CCCC23CCCC3)CCCC1 1308762258 ANJIMHHLSRLWRE-MRXNPFEDSA-N 261.453 4.825 30 10 CJEE C=CCC[C@H](CC)Nc1cc(OC)c(Cl)c(OC)c1 1308810912 YIVXZTZNCDLFSI-NSHDSACASA-N 283.799 4.514 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc2c(c1)[C@@H](O)CCCC2 1308855106 NORXIXKQFPVDLW-APWZRJJASA-N 287.447 4.993 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1cc(Cl)ccc1Cl 1348147834 LGYPSFOBEXRXHB-VIFPVBQESA-N 273.159 4.501 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)CCCCC)c1ccccc1 1348219685 WBVSENMQMBYWFQ-AEFFLSMTSA-N 287.447 4.821 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)cc2C)CCCCC1 1350345428 SLNNMYBUJPDKDW-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CC1(CC(=O)N[C@H](C)c2cc(C)oc2C)CCCCC1 1351825299 UDKJGJZDTNYXAM-CQSZACIVSA-N 289.419 4.600 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](CC)C(C)(C)c1ccccc1 1360968527 WGVLWZOIMWLVQS-SFHVURJKSA-N 299.458 4.627 30 10 CJEE C=CCC(C)(C)C(=O)N1Cc2ccccc2-c2ccccc21 1437219719 AMWDAHWRFRXKRH-UHFFFAOYSA-N 291.394 4.803 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](C)CCCCCCCC)cc1 1439961560 UZSWPTRHIDLJAW-MRXNPFEDSA-N 285.431 4.993 30 10 CJEE C#CCCCCC(=O)O[C@@H](CC)c1ccc(Cl)cc1F 1458623423 LPEJBHROZCBWOJ-HNNXBMFYSA-N 296.769 4.667 30 10 CJEE C=CC[C@H](Sc1cc(C(C)(C)C)ccc1C)C(=O)OC 1458776673 BBDYYMXUJNALEI-AWEZNQCLSA-N 292.444 4.502 30 10 CJEE C=CCCCCCOc1nc(-c2ccccc2Cl)no1 1458934865 LLXFEDOUCLYCBE-UHFFFAOYSA-N 292.766 4.515 30 10 CJEE C=CC1(CC(=O)Nc2ccc3ccn(C)c3c2)CCCCC1 1459083463 IHIRXAZFNFRINP-UHFFFAOYSA-N 296.414 4.643 30 10 CJEE C=CCN(CCc1ccccc1)[C@@H](C)CCc1ccccc1 1459394304 VKTSNJYHLJNWBC-IBGZPJMESA-N 293.454 4.738 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@@H](SC)C1 1459599848 XNTCPJWWPDAJTA-JKSUJKDBSA-N 271.514 4.953 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCCC[C@@H]2CC)CCCC1(C)C 1459684721 XEWSFRGPLXFZRK-BBWFWOEESA-N 291.479 4.796 30 10 CJEE C=C(C)CCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1473310108 ZTJUHIMQBPHWIL-OAHLLOKOSA-N 285.353 4.958 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 1524211593 ACVHXICPLXNQIC-YJYMSZOUSA-N 299.389 4.758 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1534975357 XKJBNTJUKSCKQX-HZPDHXFCSA-N 293.495 4.948 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(F)cccc2Cl)c1 1539121631 KXDUUBYRHUGILZ-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=CCCCN(CC)C(=O)C[C@H](C)c1ccc(CC)cc1 1539485701 QQSVAWZDLFUERQ-INIZCTEOSA-N 287.447 4.557 30 10 CJEE C#CCN(C1CCCCC1)[C@@H]1CC[C@](C)(c2ccccc2)C1 1560657271 HWBZIYCUVNNTJZ-RTWAWAEBSA-N 295.470 4.765 30 10 CJEE C=CCCCC[C@H](C)Nc1cnc(Br)c(C)c1 1560705696 PKUQKSWACCZKOM-LBPRGKRZSA-N 297.240 4.699 30 10 CJEE C=CCC[C@H](CC)Nc1cnn(C(CC)CC)c1CC 1560800693 RXSYVTVTEQHMBE-AWEZNQCLSA-N 277.456 4.963 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@@H]1c1ccccc1 1560853020 QYWVTKWQGPZMRP-SJORKVTESA-N 257.421 4.515 30 10 CJEE C#CCCCCCCNc1ccccc1CCSC 1560962703 HLJZINCLIATEAS-UHFFFAOYSA-N 275.461 4.588 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC(c2cc(C)ccc2C)CC1 1603329918 NGLUYSDYJWLFEX-UHFFFAOYSA-N 299.458 4.612 30 10 CJEE C#CCCCCCCN1CCC[C@H](Cc2ccc(C)cc2)C1 1615350487 CZSHOPBEAXZOCY-OAQYLSRUSA-N 297.486 4.833 30 10 CJEE CC[C@H](C)c1cccc2sc(NN=C(C)C)nc12 1615890305 GZHBNLODVXDQGE-JTQLQIEISA-N 261.394 4.618 30 10 CJEE C=CCC(C)(C)C(=O)Nc1nc2c(s1)CCC[C@@H]2CC 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C=CCCCCCCCCNC(=O)N1CC[C@](C)(CC)C1 1682864760 KLGWAMGGJGJHSL-SFHVURJKSA-N 294.483 4.735 30 10 CJEE C=CCC[C@H](NC(=O)NC(C)(C)CCC)c1ccccc1 1685798965 KOSKPSYTTCPGMR-INIZCTEOSA-N 288.435 4.572 30 10 CJEE N#CCc1ncc(Cl)cc1-c1cc(Cl)ccc1Cl 1848378037 NLKLSPJKEKPDEF-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCC[C@@H](N)[C@](C)(O)C(C)(C)CC 1878612684 YDOGSTAIAGNJRB-WBVHZDCISA-N 271.489 4.642 30 10 CJEE CCCCCCCCCN(C)C[C@@](C)(F)C(F)(F)F 1883435298 XLQGBMUTLRRWHE-CYBMUJFWSA-N 285.369 4.959 30 10 CJEE CC(C)(C)C#CCC1(O)CCC2(CCCCC2)CC1 1886357497 CMFKNZAKQPCNGK-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE C#CC[C@@H](COc1cc(C(C)C)ccc1C)C1CC1 1887073959 MNPGYEYRIDTSMM-KRWDZBQOSA-N 256.389 4.547 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(F)c(Cl)c1 1887454362 XYCKLFKLOMVSTR-WBMJQRKESA-N 281.802 4.569 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H](C)C(C)C 1889124507 WBUQPGDELDTTJZ-VBQJREDUSA-N 296.455 4.596 30 10 CJEE C=C1CC(Cc2cc(Cl)cc(Br)c2)C1 1900779757 OYPAHKDZVWVMTK-UHFFFAOYSA-N 271.585 4.611 30 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C#CC[C@H](C[C@@H](O)c1cc2ccc(F)cc2s1)C1CC1 2196721580 ZSONKNMDOTXXAC-IUODEOHRSA-N 288.387 4.513 30 10 CJEE CCCCCCCN(C)C[C@@](C)(CC)CNCC(C)C 2196739574 TWBYEMAAPXQPEV-SFHVURJKSA-N 284.532 4.551 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1CCC12CCC2)NCC 2197155904 UOBCMGFCHIFDQA-MSOLQXFVSA-N 269.432 4.648 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@H]1C[C@H]1C1CCCCCC1 2199978574 OLJLHURNXQNXOY-FHWLQOOXSA-N 270.416 4.667 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc2ccccc2o1 2203785760 AWFWKMWNUMREMN-MRXNPFEDSA-N 269.388 4.667 30 10 CJEE CCCCCC#CC[C@H](NCCC)C1(C)CCSCC1 2203791508 MQZCPGHXRFAQLI-KRWDZBQOSA-N 295.536 4.862 30 10 CJEE CCCCCC#CC[C@@]1(CNC(C)(C)C)CCCSC1 2203818010 CHUABRNHZYEKLF-SFHVURJKSA-N 295.536 4.862 30 10 CJEE N#Cc1ccc(NCC2C3(CCC3)C23CCC3)cc1Cl 2204020111 BQAZTEFXGWNGEW-UHFFFAOYSA-N 286.806 4.594 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)c(F)cc1OC 2204483390 HVJNYWNRPDEAKH-OAHLLOKOSA-N 285.378 4.724 30 10 CJEE O=C(C1=C[C@H]2CC[C@H]1C2)c1ccc(-c2ccccc2)s1 2206107965 BUEMKLGJXQDLCF-JSGCOSHPSA-N 280.392 4.954 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@H]2CCCOCC2)CC1 2206812553 QVNVCNYBUHBWHA-HJOIGYKYSA-N 280.452 4.615 30 10 CJEE C=CCCCCCCN1CCC[C@H]1c1ccc(O)cc1 2206893754 CTKXLBVMHWKURP-SFHVURJKSA-N 273.420 4.666 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CC(C)(C)CO1 2206901554 CSIOILNMKWMSRL-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCCC(=O)CN(C)C1CC1 2207373106 JBEOAKUGPSOHQA-UHFFFAOYSA-N 279.468 4.737 30 10 CJEE C=CCCCCCCCCCC(=O)c1cncn1CC 2207382713 VGWAOPYDRUFFHQ-UHFFFAOYSA-N 276.424 4.783 30 10 CJEE C=CCCCCCCCCNC[C@H]1OCCCC1(C)C 2207401980 HACNJPJAFZXTLI-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1Cc2ccccc21 2207403658 PAKSGGAYAPBQKC-RTBURBONSA-N 272.432 4.994 30 10 CJEE C=CCCCCCCCC[C@]1(N)CCO[C@H](CCC)C1 2207403892 KTJFMZVBJCBMMK-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1C[C@H](OC)C1(C)C 2207425385 PXJULQQOCQTLTM-RDJZCZTQSA-N 280.452 4.923 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](N)C1CCCC1 2207429277 HOGCOJSUZRTJDQ-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCNCc1ncoc1CC 2207434429 CQUTVNGSYMHLKM-UHFFFAOYSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@](C)(O)C1(C)CCC1 2207439175 RYMJWGFDORTQFE-WMZOPIPTSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]12CC[C@@H](CO1)C2 2207439296 VZBQJPAVDOMUDQ-AEFFLSMTSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ncncc1C 2207447855 KFFIOJOCSXTMPX-INIZCTEOSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C1(CN)CCCC1 2207450607 VKESXWIKJVICQX-QGZVFWFLSA-N 281.484 4.563 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@@H](C)CC(C)C)NC 2207457645 PMWUJHPMUYONRG-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE N#Cc1cc(F)c(SCCCC2CC2)cc1Cl 2214542565 KDLKKMRHVIVJJB-UHFFFAOYSA-N 269.772 4.633 30 10 CJEE CCCCCCCNCc1cc(C)ccc1Br 2215169546 YERHVFAQNOLBKY-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE C=CCCCCCCCCC[C@H](O)P(C)(C)=O 2215716885 MJMXGIHEFJPOFF-CQSZACIVSA-N 260.358 4.624 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1cc(Cl)cc(F)c1Cl 2217009710 MLUCOISOIWQBIR-UFBFGSQYSA-N 276.182 4.605 30 10 CJEE C[C@@H]1C[C@H]1CCN(C)CCCCCCCCCS 2220938453 ZSWWYUUIXHCFAY-HZPDHXFCSA-N 271.514 4.625 30 10 CJEE C=C1CCC(N[C@@H](C)c2cc(F)cc(Cl)c2)CC1 2222136231 HKOUDZXQGIONOT-NSHDSACASA-N 267.775 4.629 30 10 CJEE CCCCCCCCCCCO[C@H](C)[C@H](C)NC 2223276582 QKYUMRUWYDUNKF-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H](C)OC)NCCC 2227269616 APNHLDIPGZKLGT-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C#Cc1cccc(N(C)CCCCCCCC=C)c1 2227283519 NNNRMCXITAFVPT-UHFFFAOYSA-N 255.405 4.631 30 10 CJEE C=CCCC(C)(C)Nc1c([N+](=O)[O-])ccc(F)c1Cl 2227437111 KHAVHDACFFLUCI-UHFFFAOYSA-N 286.734 4.544 30 10 CJEE C=CCC(C)(C)NCc1ccc(Cl)c(C(F)(F)F)c1 2228034833 RCXRHDJLNFPMJU-UHFFFAOYSA-N 291.744 4.803 30 10 CJEE C=C[C@@H](CCCCC)Oc1cccc(SC)c1C#N 2231022212 MNHQUJRNKUUTEZ-ZDUSSCGKSA-N 275.417 4.794 30 10 CJEE C=C[C@@H](CC)OCc1cc2sc(CNCC)cc2s1 2231029395 YVRAMPMHUOIGIC-NSHDSACASA-N 295.473 4.554 30 10 CJEE CCCCCCCCOc1c(C)sc(C(=O)O)c1C 2231059096 BNJUDPMILDGJOR-UHFFFAOYSA-N 284.421 4.802 30 10 CJEE CCCCCCCCCCCOC[C@H](N)[C@@H](C)CC 2231077100 WAFQSMWIIRBWLV-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCC[C@H](C)CC[C@@H](N)C#Cc1ccc(Cl)cc1 2231091536 KNSGCCZZKPUGLE-WMLDXEAASA-N 277.839 4.625 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCC2CC(OC(C)(C)C)C2)C1 2232966477 ZYYVESQSWLZIBM-IDMDMSBLSA-N 280.452 4.756 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cc2c(s1)CCCCC2 2233784005 YQTAZFAIKFAOKN-HNNXBMFYSA-N 289.488 4.717 30 10 CJEE C=CCCCCCCCCOC[C@H](NCC)[C@H](C)CC 2234042785 GMBCUHFDNSCMAG-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE CCCN[C@](C#N)(CSCCCC1CC1)C[C@@H](C)CC 2235457889 MIMOJZWKJRUEJW-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cn(C(C)C)cn1 2235514868 YTFPIXRWNHPJSN-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(N)CCC(CC)CC1 2235521026 FQRNXAAIYTZQAY-LXPRWKDFSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccnn1C(C)C 2235523333 DVPRNUAOYYJVPP-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE CCCCC[C@@H](C)Oc1nc(C(C)(C)C)ccc1C#N 2236249313 LVVRMFQWSUNRMM-CYBMUJFWSA-N 274.408 4.598 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CC1(C)CC(C)(C)C1)NC 2236610262 MAUBTHUAWPGJIK-HZPDHXFCSA-N 283.500 4.512 30 10 CJEE N#Cc1cc(F)cc(OCCCCCCCC2CC2)c1 2239364110 ZNWLLQINFZNASW-UHFFFAOYSA-N 275.367 4.827 30 10 CJEE CCCCCCCCCO[C@@H]1CCC2(CCC2)[C@H]1NC 2239450114 TYUUYIGYNVTEBS-SJORKVTESA-N 281.484 4.674 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(O)C#Cc2ccc(Cl)cc2)C1 2239458536 LYVKCXOFEYNMSY-MAUKXSAKSA-N 290.834 4.659 30 10 CJEE CC(C)c1ccccc1[C@H](N)C#Cc1cccc(Cl)c1 2239463189 MEXZZAYCHALJAV-GOSISDBHSA-N 283.802 4.515 30 10 CJEE CCCCCCCCCOCc1cnsc1CNCC 2239466603 GIZHGMPBGKECBZ-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1C#N 2239468017 MQHWRYAQNIAEJA-UHFFFAOYSA-N 275.392 4.696 30 10 CJEE CCCCCCCCCO[C@H](C)CNCc1ccco1 2239489636 KDYYDZOYQMPGDU-MRXNPFEDSA-N 281.440 4.525 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2ccc(C3CCC3)cc2)CC1 2240306352 QNQCNKUYQSKNAU-SFHVURJKSA-N 268.400 4.812 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H]1Cc2ccccc2N1 2240622674 WJHDFNJVVDOINV-ZWKOTPCHSA-N 275.436 4.525 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1C[C@H]1CCC 2240645569 WEJJMMRCAJJXAV-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](C)NCc1cnc(CCC)o1 2240649980 QHMATZALISWREI-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE Cc1cc([C@H](C)Nc2cc(C#N)ccc2Cl)ccc1F 2240751745 JOAVVTXHOKFPHR-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=C(C)CCCC[C@@H](CCCOCc1ccccc1)NC 2241950381 MMGATGJSPBBFLD-IBGZPJMESA-N 289.463 4.708 30 10 CJEE C=C(C)CCCCNc1c(C)cccc1Br 2244653799 BLEZEMYKUURHPY-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=CCC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2247262276 LDSVGGKXYQRINS-OAHLLOKOSA-N 296.252 4.799 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC(=O)C1 2250035484 BQGFZZGJIAIXNE-HNNXBMFYSA-N 254.439 4.758 30 10 CJEE C=C(C)CCCC[C@H](O)CSC1CCCCC1 2250162506 DCVBGGGSBYNUOT-AWEZNQCLSA-N 256.455 4.550 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@H](C)S1 2259195230 QMHFFFGZDRZMMO-JYJNAYRXSA-N 269.498 4.775 30 10 CJEE C=C(C)CCCC[C@]1(O)CC[C@H]2CCCC[C@H]2C1 2259232686 DXCODWPEBXJVGI-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@@H](O)C[C@@H]1CCCCC12CC2 2259235207 MAVHAUNHTILJFZ-JKSUJKDBSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@@H]1CC(C)C 2259237804 PIYUYVBANCRHIJ-BBWFWOEESA-N 251.458 4.783 30 10 CJEE CCCC(CS)(CCC)COC[C@H]1C[C@H](SC)C1 2259439147 STDBVWRASIWIED-HDJSIYSDSA-N 290.538 4.661 30 10 CJEE CCCCCCC[C@@H](O)c1csc(C(C)(F)F)n1 2260775814 XVIHWBDAKPUSJN-LLVKDONJSA-N 277.380 4.649 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)CCCCCCCS 2263210508 QVAVLURAZIVDEG-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CCCCCCCCCCNCCc1csnc1C 2265408401 XTAHCJVDMQWKCY-UHFFFAOYSA-N 282.497 4.724 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CC(F)(F)C23CCC3)C1 2266257968 ADJXMWUXAHPZAW-MCIONIFRSA-N 267.363 4.922 30 10 CJEE C#CCCN(CCCCC[C@H]1C[C@@H]1C)CC(C)(C)C 2269479762 HGFYKVRBJAGSTR-IRXDYDNUSA-N 263.469 4.574 30 10 CJEE C=CCCCCCCCSc1ccc([C@H](C)O)nc1 2271581888 LXTYKAMXAFYAIR-AWEZNQCLSA-N 279.449 4.754 30 10 CJEE C=CCCS[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1 2271589815 ICOIAKPVOBKVTD-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2273292983 SCBYXVSBSVNHPM-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CC[C@@](O)(C#CC1CCCCC1)c1cccc(Cl)c1 2273904305 UQKYDMCTTUFKEH-QGZVFWFLSA-N 276.807 4.521 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC1CCCC1 2274072103 ILQIHDKSQDOBEA-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CSc1cccc(SCC23CCC(CC2)C3)c1C#N 2274357054 XZYMIHZYAFGGSG-UHFFFAOYSA-N 289.469 4.953 30 10 CJEE Cc1c(C)c(C)c(C[C@]2(C#N)CC2(C)C)c(C)c1C 2277461772 MDKNRKLLWIQXJY-GOSISDBHSA-N 255.405 4.711 30 10 CJEE SCCCCCCCN1CCCC2(CCCC2)CC1 2277504934 DLHCBGFFTHGKEM-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE SCCCCCCCN1CCC2(CCCCCC2)C1 2277509777 VORDAWZRKQSIKH-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE CCCCCCCCC[C@]1(C)CC[C@](C)(C(=O)O)O1 2278128312 XFRMGPKOZGWATI-HZPDHXFCSA-N 270.413 4.540 30 10 CJEE C=C(C)[C@@](C)(CCCCCCCCC)OCCCN 2278236816 PSVMHBGISCJSEM-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@]1(C)OCC[C@H]1NCCC 2278245841 XHOALCMRSKYTCN-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(C)CCCO1 2278247031 SYWZUEDMTIHLJL-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](N)c1ncc2sccc2n1 2280359501 CRKPWKLDZHWRHP-ZDUSSCGKSA-N 291.464 4.832 30 10 CJEE CN[C@@H]1CC[C@H](C(C)C)C[C@@H]1CC=CC#CC(C)(C)C 2284085266 BQMKMYGAKKIDDZ-OKZBNKHCSA-N 275.480 4.643 30 10 CJEE CCN[C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1CC=CC#CC(C)(C)C 2284089510 QBWJJIZISYUJJE-ZJPYXAASSA-N 275.480 4.643 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@@]1(C)COC 2284681055 LGWKTHGCLIUXIK-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE C=C(C)CCCCC1(CNCC)Cc2ccccc2C1 2287369227 GFRHITOZJWBOIW-UHFFFAOYSA-N 271.448 4.518 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@](C)(C2CC2)CS1 2287882613 CJBCWHHZUPBHDF-RHSMWYFYSA-N 296.524 4.700 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2289759447 GSWXHIIGLLIMBJ-RCCFBDPRSA-N 272.432 4.746 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H]1C(C)C 2289867450 LNKOBQYQZHKXQQ-GUDVDZBRSA-N 275.480 4.621 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(C)c(C)c1 2289879950 GZNCVGKBRVDLSR-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CC(C)(C)CC1CC([C@H](O)C#Cc2ccc(Cl)cc2)C1 2289941710 LBISLOAJALGTCK-VMBOVVBDSA-N 290.834 4.515 30 10 CJEE C#Cc1ccc(NCc2cccc(C(C)(C)C)c2)cc1 2290295157 WSXUEQZQCQDONE-UHFFFAOYSA-N 263.384 4.578 30 10 CJEE CCCCCCC[C@H](CC1(C)CC(C)C1)OCCCN 2292657454 FGKQUBAABCZQSA-LXPRWKDFSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1cnc(C)s1 2293073724 BXNDUQNUFQDMSH-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C=CC[C@H](C)[C@](CC)(OCCCN)c1ccc(Cl)cc1 2293515953 LVUQXKQDUGSFSJ-YOEHRIQHSA-N 295.854 4.523 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@@H](C(C)C)C1 2293651844 MKEOELKKHDQRIG-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)C(F)(F)F)OCCN 2293663507 MGMTZHSAOFIFFY-UONOGXRCSA-N 297.405 4.669 30 10 CJEE CCCCCCC[C@]1(OCCN)CC(C)(C)CC[C@H]1C 2293664197 SQKVAKONRFUYOJ-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCC1CCC(C=O)(CCc2ccc(F)cc2)CC1 2294697280 QAGMIKNWPPRSNK-UHFFFAOYSA-N 276.395 4.934 30 10 CJEE CC(C)C1CCC([C@@H](O)C#Cc2ccccc2Cl)CC1 2295237626 QSCBGQYLVIAETQ-PVARCSIZSA-N 290.834 4.515 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](N)CC1(C)C 2295514796 MUCBTSCRJAJRAO-DLBZAZTESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]12CCOC[C@H]1C2 2295671376 PQENPIVMIDTUSK-KSZLIROESA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)[C@H]1CCCOC1 2295676288 JKPGUOPDLAIHTO-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@]1(C)CC(=O)NC12CCCC2 2295677369 SNDNGFQHWXMPGM-QGZVFWFLSA-N 279.468 4.966 30 10 CJEE CCCCCCCCC[C@H](C)NCC1CCC(O)CC1 2295678427 HWNUDLWWSXRMHT-AOCRQIFASA-N 283.500 4.656 30 10 CJEE C=C([C@H](N)c1c(Cl)cc(F)cc1Cl)[Si](C)(C)C 2302209083 DOKKCWUSTNAOEQ-LBPRGKRZSA-N 292.257 4.566 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)cc1F 2304127736 IWFNRPGUGFKLJJ-KBPBESRZSA-N 256.748 4.505 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C)c(Cl)c1 2304129486 SSRKCVBRSSLVJZ-CABCVRRESA-N 252.785 4.674 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1sccc1C1CC1 2304130292 YDZDNYQUCVDURE-GJZGRUSLSA-N 250.407 4.651 30 10 CJEE CC(C)CCC[C@@H](C)Nc1ccc(Cl)c(C#N)c1 2313565943 KBNSPDDFKNKXEO-GFCCVEGCSA-N 264.800 4.838 30 10 CJEE CCCCCCC[S@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2313810982 RIQQTRIEFAEGKE-MPGHIAIKSA-N 273.486 4.830 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(C)C(C)C 2316749209 IHTNDPGFDNUXEY-INIZCTEOSA-N 251.458 4.805 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1(Cl)CCCC1 2318311480 NJRHRHCPGSMKIR-SNVBAGLBSA-N 283.202 4.564 30 10 CJEE CCc1ccc(CSCC2(CS)CC(C)(C)C2)o1 2321757296 RIIZCGBYXBRVNA-UHFFFAOYSA-N 284.490 4.811 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2323602387 JHKKIBJBMNMGAF-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE C=C(C)COc1ccc(C=CC(=O)c2ccccc2)cc1 2323805517 NZYRNLKJBKIGTG-UHFFFAOYSA-N 278.351 4.538 30 10 CJEE Fc1cc(CC[C@@H]2CCC[C@@H]3O[C@H]23)c(Cl)cc1Cl 2325258135 HIPUDMJRLIRBPK-ULCPSODYSA-N 289.177 4.633 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc(Cl)c(F)c1 2327165935 NZQZWQLIMDUNKX-AWEZNQCLSA-N 290.831 4.840 30 10 CJEE C#CCCCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327873982 XEQCIXVJOVAASN-LBPRGKRZSA-N 284.230 4.756 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327874162 YCIZVDCOKBOBTH-NWDGAFQWSA-N 284.230 4.754 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1CN[C@H](C)CC 2335229367 LUMYSMLJDAVEKP-CHWSQXEVSA-N 281.440 4.771 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(CN[C@H](C)CC)c1 2335229959 SNWOCHJXHOBBFT-OLZOCXBDSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccc(C)cc1C 2335242170 OSYAFWJBSVJZHF-UHFFFAOYSA-N 274.429 4.740 30 10 CJEE CSC1CC(CC2(C=O)CCC(C(C)(C)C)CC2)C1 2335740649 LRJHOBMQYVQXHO-UHFFFAOYSA-N 282.493 4.940 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 2337156093 LOTNVAPTNWUXTE-BBRMVZONSA-N 298.257 4.870 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2cc(C(C)(C)C#N)ccn2)C1 2338339788 REOSBSNFOXWYKB-TZMCWYRMSA-N 274.433 4.554 30 10 CJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1scc(C)c1Cl 2339573132 STSHLTACWITJKK-OLZOCXBDSA-N 295.879 4.800 30 10 CJEE C=C(C)CCCC[C@](C)(OCCCN)[C@@H](C)C(C)C 2340223058 SXJQEDRXPCESTF-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cc(F)ccc2C2CC2)C1 2341745691 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CCSc1cccc(N2C3CCCC2CCC3)c1C#N 707224061 NZGHVYZQZKQBAC-UHFFFAOYSA-N 286.444 4.582 30 10 CJEE CCCCCCCCCC(=O)c1cnc(C2CC2)o1 707675654 XLEANCCDAYELQS-UHFFFAOYSA-N 263.381 4.875 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 709115583 CUXYOWGQSCXEDF-QWRGUYRKSA-N 295.785 4.728 30 10 CJEE C=C(Cl)C[C@H](NCCC)C(C1CCC1)C1CCC1 710580557 BVAPNCLMMMHJAP-HNNXBMFYSA-N 269.860 4.714 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@]1(C#N)Nc1ccccc1Cl 713080255 FHEFCVZONUKUEQ-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCCC(C)(C)O2)C1 714383607 SGFIDSQESNOONA-VYDXJSESSA-N 266.425 4.510 30 10 CJEE C=CC[C@@H](C)[C@H](CCC1CCCCC1)NCCC 715756543 JPHVZHUEHOLWJN-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC[C@@H](O)c2ccccc2)C1 721307779 RSGZLZZYRGBRRZ-NXHRZFHOSA-N 271.404 4.610 30 10 CJEE N#CCc1cc2sc(OC(F)(F)F)cc2cc1Cl 725286971 VMFFIOWIFDZDBE-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@@H]1CC=CCC1)c1ccccc1 1127300454 CTDHULBQOXWATK-SJLPKXTDSA-N 283.415 4.557 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C(C)(C)C1(F)F 1206770681 LEHXCTWTZIFNIB-STQMWFEESA-N 261.400 4.616 30 10 CJEE C=C[C@H](CCCCC)Oc1cccc(F)c1C(C)=O 1228097592 NONSPELCEGKVCG-CYBMUJFWSA-N 264.340 4.542 30 10 CJEE C#CCC1(C(=O)Nc2ccc3ccccc3c2)CCCCC1 1264100341 MODPZROHFJSLJA-UHFFFAOYSA-N 291.394 4.752 30 10 CJEE C=CCC[C@H](C(=O)N1CCC2(CCCC2)C1)c1ccccc1 1265454094 ZZZUCNVIILLGAD-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)CCCC)CCCCC1 1274863252 QKFSTZOSCDWXIB-HNNXBMFYSA-N 265.441 4.550 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](F)CC1CCCCC1)c1ccccc1 1279070323 QYEDMBWMFQWPLT-DLBZAZTESA-N 290.378 4.765 30 10 CJEE C=CCC[C@H](CC)NCc1cccc(SCC)c1 1308804957 UKIWGRWJOUFHMW-HNNXBMFYSA-N 263.450 4.633 30 10 CJEE C=CCC[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 1352081959 BHLADATZJUXRMK-KRWDZBQOSA-N 283.346 4.514 30 10 CJEE C=CC1(CC(=O)NCC[C@H]2CCCC[C@@H]2C)CCCCC1 1435161087 MDWIZQKOMVAGQK-DLBZAZTESA-N 291.479 4.846 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCC(C)=C(C)C2)c1 1439928745 ADDPKUKPSPCVHF-MRXNPFEDSA-N 269.388 4.795 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1occc1-c1ccccc1 1455477659 YGWSKYCPHLTMRY-UHFFFAOYSA-N 297.398 4.669 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@H](c1ccccc1)C(C)C 1460391473 RWGMOLAJPRRVOT-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=CCOc1ccccc1CN[C@H]1CCC[C@@H](C(C)C)C1 1461205801 WUJHKLHFYRFCNZ-AEFFLSMTSA-N 287.447 4.556 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2ccc(C)cc2)c1 1467475567 NTJAQYKARDYUDB-UHFFFAOYSA-N 266.344 4.672 30 10 CJEE C#CCCCCCCN[C@@H](CC(C)(C)C)C(F)(F)F 1474394345 JNSIURFQGIGVJA-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE C=CC(C)(C)CNCCCc1c(Cl)cccc1Cl 1474528541 PJTZJZZOFDYVDN-UHFFFAOYSA-N 286.246 4.728 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1cccc([C@@H](C)CC)c1 1476889847 QQIHPEXYWGGTJA-ZDUSSCGKSA-N 274.408 4.534 30 10 CJEE C=CCCC1(CNC(=O)c2ccoc2C(C)C)CCCC1 1528541691 MTTRCWKZUJILGL-UHFFFAOYSA-N 289.419 4.659 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 1535869985 LYZSUXLLPPAQLE-CQSZACIVSA-N 286.202 4.843 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1sccc1-c1ccc(C)cc1 1538548437 UNLKBVQVNNBXIN-OAHLLOKOSA-N 299.439 4.808 30 10 CJEE C=CCCC[C@H](Nc1ncncc1Cl)c1ccccc1 1559268520 IYFDOIZODRTLLW-HNNXBMFYSA-N 287.794 4.640 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCC1(C#N)CCCCC1 1559993710 FYHDBVRDUSFEJQ-DLBZAZTESA-N 274.452 4.575 30 10 CJEE C=CCC1(NC(=O)NCCCC2CCCCC2)CCCC1 1563449240 UYAFMVLEQZYELW-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=C(CC)C(=O)Nc1ccc(C(C)C)cc1C(C)C 1595548598 XCRVUJZQEUYABE-UHFFFAOYSA-N 259.393 4.838 30 10 CJEE C=CCCCCCOc1ccc(OC)cc1C(F)(F)F 1614709622 ZUCBLUWEWSPHHG-UHFFFAOYSA-N 288.309 4.839 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C)cc2C)c1 1616752491 VYTUNOMLAOVWMK-UHFFFAOYSA-N 265.356 4.589 30 10 CJEE C#C[C@H](NC[C@H](C)c1ccc(C)cc1)c1ccc(Cl)cc1 1621369050 ZXIJRAPDUFPLSV-KXBFYZLASA-N 297.829 4.716 30 10 CJEE C=CCCCCN1CCC[C@]2(CCCc3ccccc32)C1 1641956757 VFDLXHHPOJBRNB-HXUWFJFHSA-N 283.459 4.713 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1 1649054826 MDOYYWBUVVGUSJ-WMLDXEAASA-N 289.850 4.706 30 10 CJEE C=CCCC1(CNc2ncc(C#N)cc2Cl)CCCC1 1652039777 TUXLGODQKHGRLJ-UHFFFAOYSA-N 289.810 4.545 30 10 CJEE C#Cc1ccc(NCc2coc3ccccc23)c(Cl)c1 1653184194 GIPAPLNYTJNQRS-UHFFFAOYSA-N 281.742 4.680 30 10 CJEE CCCCCCCCN1CCC[C@H]1c1ccc(O)cc1 1653599666 VJSXGDLWGXQMHV-SFHVURJKSA-N 275.436 4.890 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1c2ccccc2O[C@@H]1C 1659363936 MPTVKYIVUFYRPP-HDMKZQKVSA-N 273.420 4.623 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cccc(OC)c1OC 1660003727 OQUJMIIYOUALIN-CQSZACIVSA-N 277.408 4.641 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2c3ccccc3CC[C@@H]2C)C1 1664013322 XDHYZNYLNZUYMX-HIRMHNASSA-N 269.432 4.644 30 10 CJEE C=CCNC(=O)Nc1cccc([C@@H]2CCCC(C)(C)C2)c1 1665235265 KYKXDGIBEKNIJT-OAHLLOKOSA-N 286.419 4.678 30 10 CJEE C=CC[C@@H](C)NC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1772556329 QBVRDFJKGZAGMU-OAHLLOKOSA-N 294.398 4.748 30 10 CJEE N#CCc1cc(-c2ccc(Cl)c(Cl)c2Cl)ccn1 1848373088 CAMMQKKAYNBPHI-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCCC1(C(=O)O)CCC(CCCC)CC1 1879646281 DNZPSUOTNTYSKL-UHFFFAOYSA-N 264.409 4.631 30 10 CJEE CC#CCCCC[C@H]1C[C@@H](NCCC)CC(C)(C)C1 1885238444 USLUZOKYGZVVBN-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C#CC[C@H](C)CC(=O)c1c(Cl)cccc1C(F)(F)F 1887396787 JHNWWNTVZGZUMN-VIFPVBQESA-N 288.696 4.591 30 10 CJEE CC[C@@](C=O)(CN(Cc1ccccc1)C(C)(C)C)C(C)C 1888325642 VEFHVWNURXJXOE-IBGZPJMESA-N 289.463 4.538 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C(C(C)C)C(C)C 1888702220 VOYYTWZGNPEPEN-SFHVURJKSA-N 259.437 4.606 30 10 CJEE CCCCCCCCN(CCCC)[C@H]1CCCOC1 1888825123 TZVKFAJJOZCRBN-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CCC[C@@H](C)c1cc(F)ccc1Br 1895555549 ULJBLSRPWNYHKA-SECBINFHSA-N 257.146 4.658 30 10 CJEE C[C@H](CCSCC1(CS)CCCC1)C(F)F 1901020059 CZYWADYKWNVPFD-SNVBAGLBSA-N 268.438 4.501 30 10 CJEE C=C(Br)CCNc1cc(F)ccc1C(C)C 1901667349 PEJSMBIPGOGRDV-UHFFFAOYSA-N 286.188 4.660 30 10 CJEE C[C@@H](CC1CCCCC1)N=C1N[C@@H](CC(C)(C)C)CS1 1912104283 RPAMVLRCIYSXIC-ZFWWWQNUSA-N 296.524 4.843 30 10 CJEE Cc1c(Cl)cccc1C[C@@]1(C#N)CCC[C@H](C)C1 1913192040 LATFYTFZVRNQMV-BLLLJJGKSA-N 261.796 4.911 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc2ccncc12 1919516075 STKCSLOBDISFDG-GOSISDBHSA-N 270.420 4.769 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1ccc(-c2ccccc2F)s1 1919643371 DHJGFFYPCVYKIT-MEDUHNTESA-N 276.376 4.800 30 10 CJEE C=C([C@@H](CCCc1ccccc1)NCCC)[Si](C)(C)C 1922863058 NZOFGDWHJSFDOM-GOSISDBHSA-N 289.539 4.811 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](C)C1CCCC1 1924113177 ZIDPHAQIIOZWKW-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C([C@@H](O)c1cc(Cl)c(Cl)s1)[Si](C)(C)C 1934073047 DEBHPCNFACBJQS-SECBINFHSA-N 281.280 4.522 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@@H]1CCC[C@H](C)CC1 1935226854 VSAOESTVAZSIBJ-MAUKXSAKSA-N 286.415 4.545 30 10 CJEE C[C@@H]1CC[C@@H]([C@@H](C#N)c2cccc(Cl)c2F)C1 1949500264 BYMMECDBYXVDRQ-CKYFFXLPSA-N 251.732 4.522 30 10 CJEE C=C(C)CCNc1cc(Br)c(Cl)cc1F 1961056582 ACBNWQLPWBAASQ-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCC=CBr)C1 1961326858 UEDLFDFLMCFTDG-OLZOCXBDSA-N 270.214 4.785 30 10 CJEE Cc1ccc(C#N)cc1NCc1cc(Cl)sc1C 1969038145 KNOIKJIRCUUTHJ-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE N#Cc1ccc(Cl)cc1OCc1cscc1Cl 1970901259 UNHUNFGOGDDPFV-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(Cl)s1 1978637648 MGSMVNMCWVFVAT-CYBMUJFWSA-N 258.814 4.730 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccsc1Cl 1995168991 LHMSGERMLSJCLB-GFCCVEGCSA-N 257.830 4.928 30 10 CJEE CC1(C)CCC[C@](C#N)(CCSC(F)(F)F)C1 2002994642 VRAFRGVPPKANNF-NSHDSACASA-N 265.344 4.740 30 10 CJEE C=C(Cl)C[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2009283542 KIQAADSBOJOMPN-JTQLQIEISA-N 284.108 4.501 30 10 CJEE C=CCCCC[C@@](C)(N)c1ccc(Cl)cc1Cl 2009488781 CRYSBIVDZBLPRR-CQSZACIVSA-N 272.219 4.914 30 10 CJEE C[C@@H]1CCC[C@@H]1[C@H](C#N)c1ccc(F)cc1Br 2012930083 VSVNXMVEBHOMHT-CDMKHQONSA-N 296.183 4.632 30 10 CJEE C=C1C[C@@H]1CC(=O)c1ccc(-c2cccs2)s1 2025486374 KLNKYWCIFQCKGB-SNVBAGLBSA-N 260.383 4.626 30 10 CJEE C[C@@H]1CCC[C@H]1[C@H](C#N)c1ccc(Br)cc1F 2025611960 GNARDIRNBYQVCO-XWIASGKRSA-N 296.183 4.632 30 10 CJEE C=CCCCCCCNCc1sccc1CC 2026012640 OTLMJOJAMOEKGS-UHFFFAOYSA-N 251.439 4.537 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](C)CSC 2026309147 BMHFUOBHMXODEE-CABCVRRESA-N 257.487 4.620 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1CC(F)(F)C1 2029202285 ZRQIFZWDHJJJTO-CQSZACIVSA-N 262.384 4.923 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1ccc(Cl)c(F)c1 2032104101 OFLYUSWVAFUBIP-HNNXBMFYSA-N 265.759 4.742 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C(C)(C)C1CCCC1 2032302606 YXNUHEKQJJYPAM-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](CC1CC(F)C1)NCCC 2033335320 AOCWYDGCYAOYPF-GPANFISMSA-N 255.421 4.629 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cscc1C(F)(F)F 2039423819 HAFWOVDHCAGCPG-BXKDBHETSA-N 273.323 4.639 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1C)CC2 2040457630 PQLKBEMTPCYZQZ-UHFFFAOYSA-N 276.379 4.824 30 10 CJEE C[C@H]1C[C@](C=O)(CC2CCC(C)(C)CC2)CCS1 2041732086 JRGIZOPKDUMVFO-BBRMVZONSA-N 268.466 4.694 30 10 CJEE CCCC[C@](C#N)(CC)CC1C[C@@H](C)O[C@H](C)C1 2046000477 PJOJOAFDHZZHNM-IIAWOOMASA-N 251.414 4.690 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)[C@@H](CC)CCCC 2048685970 CEFXQGYRJRZDOR-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE C=CC1(C[C@H](NC)c2ccc(Cl)cc2C)CCC1 2049029539 IJUAQWFPMSBLMY-HNNXBMFYSA-N 263.812 4.655 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(C)c(Cl)c2)CCC1 2049038108 QBENWHBFAMJIIO-OAHLLOKOSA-N 263.812 4.655 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCCC(C)(C)C1 2049495618 MJUWIJBQFUCNIX-MRXNPFEDSA-N 271.876 4.961 30 10 CJEE CC[C@@H]1CCC[C@H]([C@]2(C=O)CCCC(C)(C)C2)C1 2049500170 ANVQMCGLDKXMJC-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE Cc1ccc(S[C@H](C#N)[C@H]2CCCC[C@H]2F)cc1 2055237282 YTFYCPVXQUCRTP-RRFJBIMHSA-N 263.381 4.508 30 10 CJEE C=CCC[C@@H](NCCC)C1(C)CCC(C)(C)CC1 2056551450 FLXKAPFTGVMYOO-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCC 2059110922 FTJFASBSZVQUSB-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE C[Si]1(C)CCN(CCCCCCCCCS)CC1 2064931868 RDZJOJROJZIHLZ-UHFFFAOYSA-N 287.589 4.671 30 10 CJEE CCCCCCCC[C@@H](N)c1csc(CCC)n1 2068528777 FKCXMRLCZHFJMT-CYBMUJFWSA-N 268.470 4.846 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 2074911204 KFBQDOXHESMRJK-TWMKSMIVSA-N 251.458 4.571 30 10 CJEE CCCCCCCCCN1CC[C@H](C(C)(F)F)C1 2074946833 UHVBFIIWSKCZNZ-AWEZNQCLSA-N 261.400 4.714 30 10 CJEE CCCCCCCCCCN1CC[C@@H](CCF)C1 2075041071 RVKFFSXSFLMNPG-MRXNPFEDSA-N 257.437 4.809 30 10 CJEE CC#CCCCC[C@@H](O)c1ccc2sccc2c1 2075363963 UKXMWLSRWRYYSO-OAHLLOKOSA-N 258.386 4.518 30 10 CJEE C=CCCCCCCC(=O)c1cc2c(s1)CCC2 2085844179 KFSQXECXZKSWCH-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@]1(CC)CC1(F)F 2085851080 CDSOOQXWWXHVJH-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCCC[C@@H]1CC[C@@H]1CNC 2086260407 YVKFTSCMIQXXNW-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CC[C@H](CCC(F)(F)F)Nc1cc(Cl)ccc1C#N 2087994120 FZPNNLRIMZNATG-LLVKDONJSA-N 290.716 4.745 30 10 CJEE CCCCCCC[C@@H](COC1(C)CCCCC1)NC 2089785337 WRVCCIBWWVKVPT-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 2090693246 POKDYANWXMFFOT-IDCNUPLLSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](O)(CC)C(C)C 2092187692 GAONVRCWGZIHTL-DLBZAZTESA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@](O)(CC)C(C)C 2092187969 UDFLEYMQUPYFPK-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](C)(O)[C@@H](C)CC 2092191532 VPFOJYOVFMAYLA-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE Cc1cc(S[C@@H](CC#N)C(C)C)nc2ccccc12 2092798648 DSQMYGURNWEWFV-HNNXBMFYSA-N 270.401 4.574 30 10 CJEE CCCCCCCC[C@@H](O)CC1(COC)CCCC1 2094213174 UKNGGXYEMGDXMB-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H](C)N(C)C 2095049801 BSGKSQRECAJGCD-DLBZAZTESA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](CC)CCOC 2095661166 GVPZQIDGKOLUNI-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE Cc1ccc(Cl)c(Nc2c(C)ccnc2C#N)c1Cl 2097123157 LUQSRJMLQRQXFH-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)[C@@H]1CCC(C)(C)C1 2098997846 IGZDBARIGPSFTN-RISCZKNCSA-N 277.795 4.782 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CCC(F)(F)C2)CC1 2100881548 FVZGIJYZNZKLKO-ZFWWWQNUSA-N 272.379 4.988 30 10 CJEE CCCCCCCC[C@H](NC)C12CCC(F)(CC1)C2 2101217657 MIJQFRIYABLWAD-GTPINHCMSA-N 269.448 4.997 30 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281.484 4.696 30 10 CJEE CCCCCCCCCCCCOC[C@H](ON)C(C)C 2239554998 RGPMNKPLEWWFCO-KRWDZBQOSA-N 287.488 4.839 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2240117622 MVLWMYYFEAJKCO-XMTFNYHQSA-N 275.480 4.927 30 10 CJEE CC[C@](C#N)(C(C)C)[C@@H](O)c1ccc(C2CCC2)cc1 2240387591 WFZZZWYFFKTTRB-ROUUACIJSA-N 271.404 4.563 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)C1CCC(C)CC1 2240639376 DXJFYQFYVFZMRC-ZGUYJTEBSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H]1CC[C@H]1C)NC 2240652954 AMEMTOOGIRKZKY-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE C=CCCN(CCCC[C@@H]1C[C@H]1C)Cc1ccccc1 2241388420 JCXXAMSNKCXCQT-IEBWSBKVSA-N 271.448 4.891 30 10 CJEE C=C1CC(CNc2cc(Cl)c(Cl)cc2C)C1 2243332218 KHPQMZJRHMPNMS-UHFFFAOYSA-N 256.176 4.680 30 10 CJEE CN[C@@H](C#CC1CCCC1)c1scc(Cl)c1Cl 2251475626 XWRPFTYATPAEAZ-NSHDSACASA-N 288.243 4.509 30 10 CJEE C=CCCCCCCCSC[C@H](NC)C1(Cl)CC1 2259052395 XQRXZFMIODANDE-AWEZNQCLSA-N 289.916 4.606 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@H]1C 2259213498 VLWAAONHJBVFJF-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CC1CC2(C1)CC(C[C@@]1(C#N)CCS[C@H](C)C1)C2 2259578560 SXYFLPIFCXRNKN-YHCWKXMVSA-N 263.450 4.628 30 10 CJEE C=C[C@@H](C)CCN[C@H]1CCSc2ccc(Cl)cc21 2260399969 JHSSJWXLBWHLTB-RISCZKNCSA-N 281.852 4.679 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1sc(C(F)(F)F)cc1C 2263304907 SJWJPNJKDRWNGP-GZMMTYOYSA-N 277.355 4.677 30 10 CJEE C=CCCC[C@@H](NCCC)c1ncc(C(C)(F)F)s1 2264521108 UMQUCFTUBFCZTB-LLVKDONJSA-N 288.407 4.652 30 10 CJEE C[C@H]1C[C@@H]1CCCCC1(C#N)Cc2ccccc2C1 2265744997 NKBBXGCHBWXJPM-GJZGRUSLSA-N 253.389 4.512 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1CN 2271583302 WNUWRWBQAVVKMU-OWCLPIDISA-N 283.525 4.866 30 10 CJEE C=CCCCCCCCSC[C@@H]1CC12CCNCC2 2271588323 ZSMSIZMTEXBBBK-INIZCTEOSA-N 281.509 4.636 30 10 CJEE C=C(C)CCCCNC[C@@H]1C[C@@H]2CCCCCC[C@H]21 2271796491 GPJKJACDJCWINB-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE C=C(C)CCCC[C@H](CSc1cccc(F)c1)NC 2271834397 DSUSUNASOORHOR-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C(CC)(CC)CC 2273969960 FIXYEAOGFRBTOD-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C=CC[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1 2274442783 FHPHBHQFPVIALF-QGZVFWFLSA-N 257.421 4.525 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C(F)(F)F)CCC2)C1 2274540104 OXAMXXWBJVGQGP-GRYCIOLGSA-N 291.382 4.781 30 10 CJEE C=C(C)CCCCC(CCC)(CCC)OCC(=O)O 2275502607 ZPVYORHRXQVCNZ-UHFFFAOYSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@](CC)(CCCC)OCCCN 2276141873 SQUYQCYJFCBRFT-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2csc(Cl)c2)CC1 2277035617 UVMIAZNBNNMORZ-CQSZACIVSA-N 299.867 4.554 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)c1sc(C(F)(F)F)cc1C 2277877653 FHOILAJVCWSCBF-MNOVXSKESA-N 289.366 4.692 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(O)(CC)CC 2278240565 PCQGUKMJOLRXEU-MRXNPFEDSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1ncco1 2278246517 QJQJZIWJVXLXLC-GJZGRUSLSA-N 266.429 4.854 30 10 CJEE C=C(C)CC[C@H](NCCC)c1nc(C(F)(F)F)cs1 2278697879 HMQBCVLGGBXTFK-JTQLQIEISA-N 292.370 4.559 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC1=CCCCC1 2281204305 BHOSXCGESYXNQQ-SFHVURJKSA-N 280.452 4.948 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1csc(C2CC2)c1 2283080028 CHKIVUAXZGZCOW-NVXWUHKLSA-N 289.444 4.769 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc(OC)ccc1Cl 2283351515 HUNUHCPVJJBWOM-KRWDZBQOSA-N 293.838 4.583 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cn(C(F)F)c(C)n1 2284797077 TWFWQZWOSKGQIG-OAHLLOKOSA-N 288.382 4.545 30 10 CJEE CC(C)CCC[C@H](C)CCOc1ccc(C#N)cc1F 2284890562 IBCXHPHHKFKNSX-AWEZNQCLSA-N 277.383 4.929 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nc(C)cc3sccc23)C1 2286124400 RKNMSVKXNCODBY-DYVFJYSZSA-N 284.428 4.966 30 10 CJEE CC(C)(C#N)CCCCNc1cc(C2CC2)ccc1F 2287299485 DDYXUVSJZBBCSB-UHFFFAOYSA-N 274.383 4.835 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CC[C@@H](COC)C1 2287408467 IZAAXZVTQMGGAK-SQNIBIBYSA-N 281.484 4.554 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H]2CCC[C@H]2CS1 2287886545 UTONWWXMKPEIRH-HRCADAONSA-N 296.524 4.700 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccnc(C(C)(C)C)c2)C1 2289227397 WOAUKSTYCXOMAV-KBXCAEBGSA-N 270.420 4.741 30 10 CJEE N[C@@H](CC#CC1CCCC1)[C@H]1C[C@@H]1C1CCCCCC1 2289905625 UARUIHLKXRUSFP-QYZOEREBSA-N 273.464 4.504 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1CC1(C)C)OCCCN 2293639538 OIVZLFGTGGOOND-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC1(OCCCN)CCC2(CC2)CC1 2294359426 ACMASESFGGAKDZ-UHFFFAOYSA-N 281.484 4.805 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@H]2CCC[C@H]21 2294461580 PJXBGCMHKYIHKV-KURKYZTESA-N 281.484 4.661 30 10 CJEE N#Cc1sccc1CSc1ccc(O)c2ccccc12 2294735338 CPTWMWNARSNMSY-UHFFFAOYSA-N 297.404 4.771 30 10 CJEE [N-]=[N+]=Nc1ccc(C=CC(=O)c2cccs2)cc1 2297469555 UDGHVRJYOAZFLV-UHFFFAOYSA-N 255.302 4.586 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(OC)c(Cl)s1 2301931560 VLLYUMCWFTYHLH-JTQLQIEISA-N 274.813 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1C[C@H](SC)C1 2314176215 CTLTVYBOJBABHG-BZUAXINKSA-N 270.482 4.796 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1c(Cl)cc(N)cc1Cl 2315464245 ZHKKZAYYCKNZTR-NOZJJQNGSA-N 285.218 4.732 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCCCC1(F)F 2316735110 ZJKJEPAUCWICSN-CYBMUJFWSA-N 256.336 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H](CC)CCCC 2316738874 LZJCDMRYMMERKV-NVXWUHKLSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(C(F)(F)F)cs1 2316832067 FNBGVMALNNWMBM-UHFFFAOYSA-N 274.307 4.718 30 10 CJEE Cc1c([C@@H]2C[C@]2(C=O)C(F)(F)F)ccc(Cl)c1Cl 2318096633 KDAICNMPFFGFSH-GZMMTYOYSA-N 297.103 4.537 30 10 CJEE CC#CC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2318359542 AELVJANRCKWDQY-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE SC[C@@H](COCCCC1=CCCCC1)C1CCC1 2318488527 SAPDCNSUJGODSX-MRXNPFEDSA-N 268.466 4.630 30 10 CJEE C=CCCCCCCN1CC=C(c2cccs2)C1 2318625509 NSRPKPWVIYXQCA-UHFFFAOYSA-N 261.434 4.584 30 10 CJEE CC1(C)CC[C@@H](CC2(C=O)CCC(F)(F)CC2)C1 2319037135 ONKKBWHXPSPCEM-GFCCVEGCSA-N 258.352 4.597 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320153230 BMMGMUOQUDLLOK-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]1CCC)NCC 2321097524 BTIYIEOXYPGTCI-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCC1(C)C 2321100399 AXWHIODSSLOMFS-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CCCC[C@H]1C[C@@H]1C)NCC 2321108446 POHKMDKHJVKGNK-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCS[C@H](C)C1 2338729263 DRDIWZKKQPUUAT-OIISXLGYSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1(CC2CC2)CC1 2338735348 KOJZSEVLFDYRCB-KRWDZBQOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2338738168 KJBVMEFKMNKQQL-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338788512 WSIYYJLBBUDNIS-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C[C@@H](CC(C)(C)C#N)OC[C@@H]1C[C@H]2CCC[C@H]1CC2 2338916803 YGGUFLZLNARDTE-VGWMRTNUSA-N 263.425 4.548 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCCC12CC2 2339279686 UESZIOMHORIBME-XLMAVXFVSA-N 258.405 4.518 30 10 CJEE Cc1c(Cl)ccc(Nc2ccc(CC#N)cn2)c1Cl 2340138789 KHLFJRBUGQYDKP-UHFFFAOYSA-N 292.169 4.507 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(F)ccc1C1CC1 2341696186 KFFLJFCPGWVRBH-KRWDZBQOSA-N 262.368 4.873 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NN 2343267491 GESXSGGBOBEVRG-HRCADAONSA-N 268.489 4.641 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccccc1CCC 2344345300 MKNMITRSAIJDHV-ZWKOTPCHSA-N 259.437 4.501 30 10 CJEE C=CCC(C)(C)[C@H](CCCc1ccccc1)NCC 2344346044 PPNAOUYDQXBSDX-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCCC2(CC2)C1)NCCC 2344386824 ZDRUGVDHDACRAQ-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(Sc1ccc(F)cc1)C2 2344991784 KVMGTWDTZWTKSL-UHFFFAOYSA-N 275.392 4.780 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CC[C@]12CC[C@H](C)CC2 2352070723 BINVIUVXVYXIHG-BHYGNILZSA-N 283.525 4.623 30 10 CJEE C=C[C@H](C)CCNCC1CCC(CC(F)(F)F)CC1 2353132942 GZTUMGRSQDCACJ-HSBZDZAISA-N 277.374 4.547 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(C#N)cc1Cl)C2 2354150144 GQJPRIPULHUDSZ-KEYYUXOJSA-N 288.822 4.982 30 10 CJEE C=CCCC[C@@H](C[C@@H]1C[C@H]1c1ccccc1)NCCC 2357773792 LRYQXCAYXBLGBH-QYZOEREBSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C 2360082655 FTBVFKHLQCUVOM-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)S[C@H]1CCc2ccccc2[C@H]1NCCC 2360324221 OBHRQLOHJHKTDU-JCGIZDLHSA-N 289.488 4.740 30 10 CJEE CCCCCCCCCCNc1ccc(Cl)nn1 1606171 UYTAWQJHKYIKDB-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1cccc(Cl)c1 37089218 TXTGXDJUAXEBCA-NSHDSACASA-N 288.753 4.832 30 10 CJEE CC(C)CS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37156406 IBPXRZKPXWKCLO-BRWVUGGUSA-N 273.445 4.852 30 10 CJEE CCCCCC[C@@H](C#N)Nc1ccc(Cl)cc1 37935966 UNGBGDYGKHGORU-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE N#CC[C@@H](Nc1ccc2ccccc2c1)c1ccccc1 55016669 UTZJDLGGWNQCNF-LJQANCHMSA-N 272.351 4.907 30 10 CJEE N#Cc1ccc(Oc2cccc3cccnc23)cc1Cl 61851408 WSDNEXIPMRHMKG-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCn1nc(C#N)cc1-c1ccc(Cl)cc1 76843846 WTEJCCJPBDKNRE-UHFFFAOYSA-N 287.794 4.655 30 10 CJEE CCCOc1ccc(-c2nc(C3CC3)c(CC#N)s2)cc1 82436727 UURKWHCVMFTMKH-UHFFFAOYSA-N 298.411 4.542 30 10 CJEE CCC1CCC(C#N)(Cc2cccc(F)c2F)CC1 87933627 ZPEBSHYQKILNJS-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE N#CC[C@@H](Nc1ccc2sccc2c1)c1ccccc1 88120471 NTBNCWLOFZYYEO-MRXNPFEDSA-N 278.380 4.968 30 10 CJEE C[C@H]1CCCC[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 91876119 DZEHCVNVQQBVQC-OBHHBEAMSA-N 277.452 4.674 30 10 CJEE CC(C)c1ccc(OC[C@@H](CS)c2ccccc2)cc1 94582583 NAQGEVHOMXTEJZ-KRWDZBQOSA-N 286.440 4.902 30 10 CJEE CCc1cc(OCCCCCCS)ccc1Cl 94584443 JICNWEIWEVNCIK-UHFFFAOYSA-N 272.841 4.771 30 10 CJEE CCOc1cccc(OCC2(CS)CCCCCC2)c1 94584940 QBKKYWGGANHJJU-UHFFFAOYSA-N 294.460 4.735 30 10 CJEE CCCCC1CCC(c2nc3cc(C#N)ccc3[nH]2)CC1 96874344 DJWTZXOROLYKCW-UHFFFAOYSA-N 281.403 4.899 30 10 CJEE CCCCCCCCOc1ccc(CC[C@@H](C)N)cc1 104693321 UBLZMOHLNIPONX-MRXNPFEDSA-N 277.452 4.706 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc2[nH]ncc12 109915532 RNUBOQWBQZIZQS-ZDUSSCGKSA-N 259.397 4.724 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@]1(C#N)Nc1ccccc1F 110029088 PRWLENJQLIMKGF-GRDNDAEWSA-N 274.383 4.592 30 10 CJEE CCCCCCCCOc1ccc(C)cc1CNC1CC1 110102128 GZAWIDNFUZMQCI-UHFFFAOYSA-N 289.463 4.986 30 10 CJEE CCCCCCCCCCN1C(=O)CNc2ccccc21 110159515 AYILOUZSSDVPNN-UHFFFAOYSA-N 288.435 4.586 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1C(F)(F)F 110167444 FQXCYQVEBNOLCU-IUODEOHRSA-N 296.336 4.898 30 10 CJEE CCCCCCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1 111351590 ZMRLEIJCUMNUON-UHFFFAOYSA-N 294.351 4.504 30 10 CJEE CCCCCCCC[C@@H]1CCc2ccccc2[C@@H]1N 111726691 KVTGMTJOJOBFKS-SJLPKXTDSA-N 259.437 4.999 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)COC 114872571 KRNMEFLSFVUXRI-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCOc2ccccc21 116257591 SYUJHKZRSBPUTE-OAHLLOKOSA-N 274.404 4.872 30 10 CJEE CCCCCCCCSc1cc(OC)ccc1N 118715097 FIPVDAJYRBSURR-UHFFFAOYSA-N 267.438 4.730 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](CC)OCC 125108417 BMTDSYFZMJXFRN-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)C1C[C@@H]2CC[C@H](C1)N2C 129076471 MDGQDRBCCVGLQM-IPQPSQTFSA-N 295.511 4.751 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCCNCC1 129565522 GHIAYGSJYFZGKH-MRXNPFEDSA-N 257.437 4.999 30 10 CJEE CCCCCCCCC[C@@H](N)C1(OC)CCCCC1 159878297 HFSGYSRDIZFPAJ-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@@H](CCCCCC)C(=O)NO 166787286 ZVGAVDWDDUMMQE-OAHLLOKOSA-N 271.445 4.829 30 10 CJEE CC(C)COc1ccc([C@@H](C#N)C2CCCC2)cc1 167860328 PITVZVTVRVKRFA-KRWDZBQOSA-N 257.377 4.519 30 10 CJEE N#C[C@@H](Sc1ccc(Br)cc1)C1CCCC1 167875021 ILPDTAVAEFPIFV-CYBMUJFWSA-N 296.233 4.624 30 10 CJEE C=CC[C@@H](C)N(Cc1ccccc1)Cc1ccccc1 196658760 XRRKRQGWQRFCJN-QGZVFWFLSA-N 265.400 4.653 30 10 CJEE C=CC[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H]1CC=C 208445704 SMBXWHQNSUSVSJ-ZNMIVQPWSA-N 279.424 4.543 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1cccc(Cl)c1Cl 212968175 YNHLPKRVRDNGOF-RISCZKNCSA-N 297.229 4.823 30 10 CJEE C=CCNCC(=O)CCCCCCCCCCCC 226656637 HYHRRJIXILKMKQ-UHFFFAOYSA-N 267.457 4.642 30 10 CJEE CC(C)(C#N)CCCNc1ccc(Cl)c2cccnc12 227856149 JKJJCPCVDLMCCH-UHFFFAOYSA-N 287.794 4.630 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 228819301 BHZKVDQUDYHEFU-JKSUJKDBSA-N 259.437 4.890 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2oc(C(C)C)nc2c1 228823817 VLLWBWFHROANCY-GFCCVEGCSA-N 258.365 4.718 30 10 CJEE C=C(CS)COc1c(Cl)cc(Cl)cc1Cl 231633564 UDZBCFGWRFBCIH-UHFFFAOYSA-N 283.607 4.512 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(C)cc1)NCC 233537583 CDBJCFQEFMGQAJ-SFHVURJKSA-N 259.437 4.652 30 10 CJEE O=C(COc1cccc(Cl)c1)C1=CCCCCCC1 236058073 BBMXOTGBINQKNC-UHFFFAOYSA-N 278.779 4.569 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(Cl)c1)C(=O)O 236436045 FNZLZNMRWYLOMB-AWEZNQCLSA-N 280.795 4.720 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1N 252725292 ZVCLTLUFQUFXAJ-ZTFGCOKTSA-N 275.436 4.549 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](C)[C@H]2C)c1C#N 252806436 CBFGVQMYXVWGPP-OUCADQQQSA-N 274.433 4.517 30 10 CJEE CSc1cc([C@H](C)CC=O)cc(SC)c1SC 258546119 MWCNYPXMIQZQAF-SECBINFHSA-N 286.487 4.545 30 10 CJEE CCn1c([C@H](C)CC#N)cc2ccc(C(F)(F)F)cc21 260073215 PVEIMZXGDCTQNB-SNVBAGLBSA-N 280.293 4.697 30 10 CJEE C[C@H](C#N)Cc1cc2ccc(C(F)(F)F)cc2s1 260170138 WTUCLXOHINOGSX-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE C=CCCCCCCNCc1cc(F)ccc1Cl 310910918 HFXLENIQUOSZBF-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE O=CC1(CCSC(F)(F)F)CCCCCCC1 316807658 ZIQJBDWDACLYTJ-UHFFFAOYSA-N 268.344 4.559 30 10 CJEE C[C@H](C[C@@]1(C=O)CCc2ccccc21)C1CCCCC1 317426032 OUNNEASXHQJFSU-DNVCBOLYSA-N 270.416 4.676 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC23CCCC3)cc1Cl 328134144 XOAPZPCXPPBHQD-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc2c(n1)CCC2 380740701 UDXQBGFQNMTLPA-KRWDZBQOSA-N 274.452 4.581 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CCC[C@H](C)C1 383129339 RBKQYACZXNKXBK-UONOGXRCSA-N 258.471 4.566 30 10 CJEE C=CC(C)(C)CNC(c1ccccc1)c1ccccc1 384863163 OWPULHXCTXXFJM-UHFFFAOYSA-N 265.400 4.578 30 10 CJEE CC(C)C1CCC(C#N)(c2ncc(Cl)cc2Cl)CC1 387950985 LXRXKQZDNVFXDA-UHFFFAOYSA-N 297.229 4.996 30 10 CJEE CCC(CC)(CS)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 394167047 RUEXVDSKDHOKHV-ZBFHGGJFSA-N 283.525 4.623 30 10 CJEE Cc1cc(Cl)cc(C(=O)[C@H](CC#N)c2ccccc2)c1 395105070 KRDIETKHHUHLSV-MRXNPFEDSA-N 283.758 4.529 30 10 CJEE CCCCCCCC[C@H](COCc1ccccc1)NC 395479445 ATIKQNSPZBFKER-GOSISDBHSA-N 277.452 4.542 30 10 CJEE Cc1cc([C@H](C)NC[C@@H](C#N)C2CCCCC2)c(C)s1 397195658 NFGZFNIPCCRLON-XJKSGUPXSA-N 290.476 4.736 30 10 CJEE CCCCN(C[C@@H](C#N)C1CCCCC1)[C@@H](C)CC 397372530 SNZAAPNOQQVQNZ-DOTOQJQBSA-N 264.457 4.607 30 10 CJEE CCCCCCCC[C@H](O)CC(C1CC1)C1CC1 400765430 AQYQCTLYZAYCAT-INIZCTEOSA-N 252.442 4.924 30 10 CJEE C=CCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1NCCC 403421820 QIDFJLHQERKREA-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C[C@@H]1[C@@H](/N=C2/NC3(CCCCC3)CCS2)CCC[C@H]1C 687319069 UEVVZXWRFLGODQ-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE C=C(CC)CC1(C(=O)O)CC(C)(C)CC(C)(C)C1 688344405 DFOIRDFFFQVOEQ-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE CN(CCCCCCS)Cc1cc2cscc2s1 693854368 FFHDRJYVJRFVFU-UHFFFAOYSA-N 299.530 4.885 30 10 CJEE Cc1nc(NCCCC2CCCCC2)c(Cl)cc1C#N 694043792 WGINYFRYKZHROH-UHFFFAOYSA-N 291.826 4.688 30 10 CJEE CCC1CCC(C=O)(CCCOC2CCCC2)CC1 699958949 KAPAIBFTNQGQFF-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CCCCCCCCNc1cccc(OC)c1F 702081507 ASXUYXDRRZUTAF-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)CC1(CS)CCCCC1 710140337 CJTHOQNVSRRRRV-MRXNPFEDSA-N 295.536 4.769 30 10 CJEE CCCCCCCOCc1cnc(CNC(C)(C)C)s1 711262534 UECQWCPVZICRKT-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE Clc1ccccc1N=C1NC2(CCCCCC2)CS1 713196111 WURQENKWGHCVSK-UHFFFAOYSA-N 294.851 4.757 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc2c(s1)CCSC2 715832403 YPLRGVNLGRKZEJ-LRDDRELGSA-N 295.517 4.790 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)CC1 718627378 QMIBBXMNUQNYJP-GOEBONIOSA-N 274.383 4.714 30 10 CJEE C=C1CCC(C[C@]2(CNCC)CCCC[C@@H]2C)CC1 724554131 TZAKTNMNXGLZGH-WMZOPIPTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCSC2)NCCC)CC1 724567546 KOXQENFOOQYIAV-IAGOWNOFSA-N 281.509 4.634 30 10 CJEE C=C1CCC(C[C@@H](C)[C@@H](C)CNC(C)(C)C)CC1 724615349 DVGFCIMFMVWPOB-CABCVRRESA-N 251.458 4.783 30 10 CJEE CCCCCCC/N=C1/N[C@H](C2CCCC2)CCS1 725100766 QOKMGAFTOBBQKC-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE Cc1cc2cc(CC#N)sc2cc1SC(F)(F)F 725314545 RBPTYLVXJVYFTL-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCOc1ccc(/C=C\C(=O)c2sccc2C)cc1 733749782 YQPSDLPDGVUTRB-TWGQIWQCSA-N 284.380 4.517 30 10 CJEE C=C(CC)COc1ccc(C2SCCS2)cc1 773180788 GBMYNVTWYDMONO-UHFFFAOYSA-N 266.431 4.510 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@](C)(CCC)C1)c1ccccc1 1148193210 VGPIBWXOKJNZMB-XLIONFOSSA-N 299.458 4.775 30 10 CJEE C=C(C)CCN(CC)Cc1ccc(Cl)c(Cl)c1 1167116676 UANWJOUZKXSHHW-UHFFFAOYSA-N 272.219 4.782 30 10 CJEE C#Cc1cccc(N[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 1180655085 TTZMQDCUIWXBEL-KGLIPLIRSA-N 283.802 4.925 30 10 CJEE C=CCC[C@H](CCC)NC[C@H](C)Oc1ccc(Cl)cc1 1180885770 UJQASKJBFLKZFU-HOCLYGCPSA-N 295.854 4.832 30 10 CJEE C=CC[C@@H]1N(C(=O)OC2CCCCC2)CCCC1(C)C 1189784863 KRGQOWAMXQYXHN-HNNXBMFYSA-N 279.424 4.522 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cc(C)c(C)cc1Cl 1205462440 KWCKALBAKPHTCJ-UHFFFAOYSA-N 294.826 4.681 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H](CC)c1ccccc1 1206262680 BERPPMSXEWQMHB-PZJWPPBQSA-N 293.454 4.957 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@H]1c1ccccc1 1207075279 CLHOGYRTHUCQTF-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C2CC2)cc1 1270144650 MZHKHOPQJVZKQL-UHFFFAOYSA-N 291.394 4.935 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CCC(C)=C(C)C1)c1ccccc1 1279069303 IEUBCJNZTKQQGZ-IRXDYDNUSA-N 270.372 4.593 30 10 CJEE C=CCCN[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 1307614188 CHVNTHKDBSWDKP-GOSISDBHSA-N 291.866 4.997 30 10 CJEE C#C[C@H]1CCCN(Cc2ccc(C3CCCCC3)cc2)C1 1307877614 JKVQCXTUPXGKDV-KRWDZBQOSA-N 281.443 4.580 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)CCC1CCCC1 1308927448 IBSYADGBGTZLQO-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccccc1)C(CC)CC 1354815491 WJYWEWVGSWCSMC-GOSISDBHSA-N 273.420 4.636 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 1357489313 XFAMCDGNHKLVQL-AWEZNQCLSA-N 299.414 4.945 30 10 CJEE CCc1c(C)sc(NC(=O)[C@H](C)C(CC)CC)c1C#N 1361129836 GCGZRGXRNQNRFD-SNVBAGLBSA-N 292.448 4.501 30 10 CJEE C=CC(C)(C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C 1436145910 VGQFAOCRRWSSRK-UHFFFAOYSA-N 283.371 4.714 30 10 CJEE C=CCC1(C(=O)N[C@@H](CCC)CCCC)CCCC1 1457346431 MEQVNPKHLOYISP-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(CC1CCCCC1)OCC(C)C 1472591701 FVBCUOTXNZSDLD-SFHVURJKSA-N 295.467 4.585 30 10 CJEE C=CCCCCCN(C)Cc1cc(Cl)c(C)cc1O 1474370369 YTQJKVJLKNJRIW-UHFFFAOYSA-N 281.827 4.532 30 10 CJEE C=CCCCCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1530006139 YRIRIOUTYOXGEV-MRXNPFEDSA-N 287.447 4.776 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1531742069 OSHJOVWDFCBBIY-JLSDUUJJSA-N 285.431 4.590 30 10 CJEE C=CCC1(C(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 1534452185 JUAMIQHZVIQCGL-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=CC[C@H]1N(CCCc2ccc(C)cc2)CCCC1(C)C 1559797590 UNWYVNJZWUKCPQ-LJQANCHMSA-N 285.475 4.994 30 10 CJEE C=CCC1(NCCOC2CCCCCC2)CCCCC1 1560070696 JMFKNJXOUGRSAJ-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE C#CC[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccccc1 1560403069 TWGHNBSISOSUPM-FQEVSTJZSA-N 291.438 4.838 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C=C(CCC)CCC 1586140162 PLWHPYJASUOLAS-DLBZAZTESA-N 277.452 4.764 30 10 CJEE C=CC[C@H]1CCN1C(=O)[C@H](C)CCCCCCCC 1603353461 ZBVQEHDBWPNAJY-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=C(CC)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 1628005370 BLZRLAZCHFVEHA-UHFFFAOYSA-N 299.458 4.656 30 10 CJEE C=CCCCCSc1nnc(-c2ccc(C)c(C)c2)o1 1651573571 RXYKWGYZPXDDAT-UHFFFAOYSA-N 288.416 4.802 30 10 CJEE C#Cc1ccc(NCc2c(F)cccc2Cl)c(Cl)c1 1651634906 ZPVHYEQCIYADDW-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl 1656377544 XHMGPDJLWTVDRF-CQSZACIVSA-N 284.230 4.924 30 10 CJEE C=C(C)CCN[C@H]1CCCC[C@@H]1c1ccccc1Cl 1659253902 LGWKOSXZXPZKOA-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(OC(C)C)c(C#N)c1 1664262102 LDYBVEQLRJKYPL-OAHLLOKOSA-N 286.419 4.892 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cccc(-c3ncco3)c2C)C1 1664857632 RFFMJNVUAFVXDL-LSDHHAIUSA-N 282.387 4.807 30 10 CJEE C=CCCCCCCCCNC(=O)Nc1ccc(C#N)cc1 1672412668 UASAYPKZAWKDKS-UHFFFAOYSA-N 299.418 4.596 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1c(C)cc(C)cc1Cl 1672794287 NEZBNHUYUXZOLU-UHFFFAOYSA-N 294.826 4.823 30 10 CJEE C=CCCCCCCCCNC(=O)NC1CCCCCC1 1681664792 UDOJBHCKGIYWIS-UHFFFAOYSA-N 294.483 4.925 30 10 CJEE CC1CCC(=NOCC(=O)c2ccc(C(C)C)cc2)CC1 1860464243 RRFIMVGSTDEHCQ-UHFFFAOYSA-N 287.403 4.575 30 10 CJEE C[C@@H](CCS)CCN1CCC[C@H]1C1CCCCCC1 1876809798 DEPGKXAVAPFJFH-WBVHZDCISA-N 283.525 4.767 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CC1CC2(C1)CC21CC1 1877101084 XRLZDXIWFZMCSV-GMXGEUMGSA-N 260.421 4.742 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)C(C)(C)C(F)(F)F 1878356064 GJJTWYNLHMEZOO-MRVPVSSYSA-N 290.716 4.601 30 10 CJEE CCCCC[C@@](O)(CC)C(=O)C1=CCCCCCC1 1879216310 SQFONRKHDXEAMX-KRWDZBQOSA-N 266.425 4.558 30 10 CJEE CC#CCCC[C@H]1CC(C)(C)CC[C@H]1CNCCC 1879645334 WDJAURXJAXHULU-IRXDYDNUSA-N 263.469 4.622 30 10 CJEE CCCCCCCCCN(C)[C@H](C)[C@H]1CCCCO1 1883430197 QRYFZFQRLWUTQY-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1CC(C(C)C)C1 1885226968 GDOZZWAVTNRQGG-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CC#CCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 1885238172 SJCLHDFWEYCUAL-CQSZACIVSA-N 298.257 4.708 30 10 CJEE 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4.772 30 10 CJEE CCC[C@@H](CS)COC[C@@H]1C[C@H]1C1CCCCC1 2311649817 FNDDXWMTMFMSHU-KBMXLJTQSA-N 270.482 4.566 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CC[C@@H]2CC[C@@H]21 2312623201 OEZHYWHVSRPANC-LTIDMASMSA-N 251.458 4.904 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(Cl)cc1 2313637274 CMALHWSPPWBKGK-DOMZBBRYSA-N 283.868 4.688 30 10 CJEE C=CC[C@H](C)Sc1sc(CNCCC)c(C)c1C 2313689637 QTEPMKTUDHWLEZ-NSHDSACASA-N 283.506 4.921 30 10 CJEE C=CCCCCCCCNCCCC[C@H]1C[C@H]1C 2318765220 IGVDSGYMIFGLKS-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(F)c1F 2319289281 RFEXRGKTFVHHII-GFCCVEGCSA-N 273.754 4.625 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCCC[C@@H]2C[C@@H]21 2319427937 PPPZLWRFESNRCX-IXDOHACOSA-N 251.458 4.857 30 10 CJEE C=CCCCCCC[C@H](O)C[C@H]1CC[C@H]1C1CC1 2319500329 OPOJCNAOMOICQS-IKGGRYGDSA-N 250.426 4.700 30 10 CJEE C=CCC(C)(C)[C@H](NCC)C1C[C@@H](C)C[C@H](C)C1 2321097402 APJZSCDERPHWPM-OFQRWUPVSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)ccc1F 2321146111 WCZRMHGEMNDROS-HUUCEWRRSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@@H]1CC[C@@H]1C1CC1 2321226446 WUOIZAUDXUCUTC-HZMVEIRTSA-N 250.426 4.556 30 10 CJEE C=CC(C)(C)CCNCc1cc(F)c(Cl)cc1Cl 2325244499 HQIUUYHQGWUPSK-UHFFFAOYSA-N 290.209 4.824 30 10 CJEE C=CCCSC1(C(=O)O)CCCCCCCCC1 2327032051 RIGNKWPZBMLSQW-UHFFFAOYSA-N 270.438 4.644 30 10 CJEE CCC(=NOCc1ccc(C#N)cc1)c1ccc(Cl)cc1 2330252170 LBXJKZJOBBCOPD-UHFFFAOYSA-N 298.773 4.543 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2[C@H]3CC[C@H](C3)[C@H]21 2332228881 UCWRGIKLXHXAIK-TZNCUMHOSA-N 263.469 4.891 30 10 CJEE CCC[C@H](CC(C)C)[C@@H](C#Cc1cccs1)NCC 2338392387 FVOWIQSUFGMSGF-NVXWUHKLSA-N 277.477 4.540 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@]1(C)CC=CCO1 2339838179 ICXAQXFLWIRUTG-DLBZAZTESA-N 267.457 4.580 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H](C)[C@H](C)C(C)C 2340208426 LEVWLZGVPDFTHW-IKGGRYGDSA-N 271.489 4.619 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)CCCCNCCC 2340374042 UMZIRLBUJZRFCK-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CC[C@H](C)C(=O)[C@@H](c1ccccc1)C1CCCC1 2342372658 HSZGQXMJWDBKFV-YOEHRIQHSA-N 256.389 4.742 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(COC)s1 2344381801 WAJZQBDCXDTOHD-HZPDHXFCSA-N 281.465 4.538 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1cc(F)c(Cl)cc1Cl 2349823348 BCKQGZXWAJTBMW-HNNXBMFYSA-N 296.172 4.846 30 10 CJEE C=CCCCC[C@H](NCC)c1cc(C(C)C)ccn1 2352780660 KIPQPEINBQAASK-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CC[C@H]1CC=C(C(=O)c2ccc(F)cc2SC)CC1 2353817544 WPBFJFAXHGPUTB-NSHDSACASA-N 278.392 4.867 30 10 CJEE CC(C)C[C@@H](CS)COc1ccccc1C(C)(C)C 2353825236 BBDVJQWSPNGJKX-CQSZACIVSA-N 280.477 4.955 30 10 CJEE CCC(C)(C)[C@H](C)N(C)c1ccc(C#N)c(SC)c1 2353843449 RZWUDIXQRBJVBO-LBPRGKRZSA-N 276.449 4.541 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354890926 PRJQPVLFZDAVRT-DCGLDWPTSA-N 288.822 4.982 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12 2358137238 HUOMOYFYWQHXSU-YDZRNGNQSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1C[C@@H]2CC[C@H]1C2 2359318536 AASDTTNTEUJZAI-XMTFNYHQSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)Oc1c([C@@H](C)NC)ccc(Cl)c1F 2360213863 AKIMKNKMRWZHDK-LLVKDONJSA-N 297.801 4.659 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)[C@H](C)CC1CC1 2360369360 VJFSBNCFHKVMCQ-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE CCCN[C@@](C#N)(CCC)CSC[C@H]1CC[C@H](C)CC1 2360513518 XKDPCBPCRYIPOO-BRWVUGGUSA-N 296.524 4.608 30 10 CJEE CCCCCCCc1cc(O)c(CCCCCC)c(=O)o1 1551663 SJGBVXPXTMNDDG-UHFFFAOYSA-N 294.435 4.981 30 10 CJEE biogenic N#Cc1cc(NCc2cccc3ccccc23)ccc1Cl 35052306 BKULKABYBJJPMB-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CCCCCCCNc1cc(OC)c(OC)cc1Cl 59451474 UMWRWFNGBZESKZ-UHFFFAOYSA-N 285.815 4.740 30 10 CJEE CCCCCCCCCCOC(=O)Cc1ccccc1 80721773 AKKHCVAUQXJEOR-UHFFFAOYSA-N 276.420 4.913 30 10 CJEE CCC1CCC(C#N)(CCOCCC(C)C)CC1 87933662 RNCDZGYHALVVPG-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE CCC[C@H](CS)COc1cccc(C(C)(C)C)c1 94584367 RHEDEGQVKTWQBN-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE C=C(CC)C[C@H](NCCC)C1CCC(F)(F)CC1 97284102 PKSCVCHEKCFTMR-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE CCCCCCCNC[C@H](c1cccs1)N(CC)CC 106351638 AAHXKVKQOGGQMA-MRXNPFEDSA-N 296.524 4.691 30 10 CJEE C=C[C@H](C)Cc1ccc(OCc2ccccc2)cc1C 107616869 JKEYJZGHHRBGMG-HNNXBMFYSA-N 266.384 4.939 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)Cc1ccccc1OC 109910256 PFBSZZGZKDMXIN-IAGOWNOFSA-N 291.479 4.965 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)c(Cl)c1 110253676 IPOIBJSBFMQQLH-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(CC)CC(CC)CC)C1 110263984 UWTUGYFYPZIJBA-RCCFBDPRSA-N 278.484 4.853 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 110325802 HGXPQYPXGPDEFT-GJZGRUSLSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]2CC[C@@H]1O2 112646130 OGQQUXOTYZBCIO-XSLAGTTESA-N 281.484 4.673 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccn(C2CCCCC2)n1 113997461 RSDKMAITEZKYBG-GOSISDBHSA-N 292.467 4.652 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NCC12CCCC2 115231528 OTSOQKDOXNTOMD-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCN1C[C@H](C2CCCCC2)NC[C@@H]1C 115253729 XEUHDVLZNPTOKH-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCc2ccccc21 116271967 LJRICKFWXOYDQQ-QZTJIDSGSA-N 259.437 4.665 30 10 CJEE Cc1oc2ccccc2c1[C@H](O)C1(C#N)CCCCCC1 124305331 NWIWIIWIKGYJKZ-KRWDZBQOSA-N 283.371 4.639 30 10 CJEE CCCCCCCCCCn1c(N)nc2cc(F)ccc21 129441785 VBIMDCNJILQVBF-UHFFFAOYSA-N 291.414 4.898 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 130045554 DVEUZXCXALXADQ-CYBMUJFWSA-N 289.250 4.858 30 10 CJEE CCSc1cccc(NC[C@@H](C)c2ccccc2)c1C#N 131760977 KEOUSFJJDPXDIE-CQSZACIVSA-N 296.439 4.886 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cccnc1OC 143451421 LNQNXRNFMCRVOI-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE C[C@](O)(c1ccccc1Cl)C1(C#N)CCCCCCC1 156790438 TXCORFLUWUIVGB-INIZCTEOSA-N 291.822 4.802 30 10 CJEE CC[C@H]1CCC[C@H](OCc2ccc(C#N)cc2Cl)C1 162991861 MCDOTCNHBDQBNK-WFASDCNBSA-N 277.795 4.697 30 10 CJEE C[C@@H](CCCC(F)(F)F)Nc1ccc(Cl)c(C#N)c1 163277852 KUBYDPSRBCBKJH-VIFPVBQESA-N 290.716 4.745 30 10 CJEE N#Cc1ccc(CSCc2ccccc2)c(Cl)c1 163423549 CYFZQGVDAROUFY-UHFFFAOYSA-N 273.788 4.645 30 10 CJEE C=C(C)CC[C@H](CSc1cccc(Cl)c1)NCC 164645268 CGQBMRSDHMAEAR-CQSZACIVSA-N 283.868 4.767 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1cnn(CC)c1 167796769 WQDJUEIVFIURHD-SFHVURJKSA-N 294.483 4.727 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 226200326 LUZBTIMSOLIJAW-ZIBATOQPSA-N 296.336 4.814 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 227925791 FVZLASZYAZCWSA-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCCCNCC(C)(C)CCO 227951502 NZXPVHRIPGCXDX-UHFFFAOYSA-N 285.516 4.906 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](N)c2ccccc2O1 232964080 UHOGFNSOJHBWHE-WBVHZDCISA-N 275.436 4.978 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(C)cc(F)c1 233543260 JOEDKCWQUFFQLH-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(Cl)sc1Cl 234460847 KDYPMZNFKRANKF-SECBINFHSA-N 264.221 4.672 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252436066 MYLBCGMEOFXIQL-LUKYLMHMSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1C 252990335 AXWKMFLQUSCIDR-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE ON=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 254833908 PWSZMLVPUZIGRO-UHFFFAOYSA-N 287.362 4.775 30 10 CJEE N#Cc1cc(Sc2cc(Cl)cc(Cl)c2)ccc1N 302652186 HRSQSVPUBJZNMR-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)OCC2 308602002 VDCLRELHKKBKPW-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE Fc1ccc(Cl)c(OC[C@@H](CS)c2ccccc2)c1 311582292 UUWWPCTXJVIKJK-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE CCCNC[C@H]1CCC(C)(C)C[C@@H]1CC#CC(C)(C)C 312218455 YRJLWRGHKKUDBF-DLBZAZTESA-N 277.496 4.868 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@H]1C[C@H]2CC[C@H]1C2 312252786 WTWZWRWVKIFWMI-WNRNVDISSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H]1CC[C@@](C)(CNC2CC2)O1 312413887 QOEDOMTZYISNMB-ROUUACIJSA-N 281.484 4.817 30 10 CJEE C=CCS[C@H](c1ccccc1)[C@@H](NC)c1ccccc1 380032684 WNOSCWCORXMXLS-ZWKOTPCHSA-N 283.440 4.608 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)[C@@H]2CC3CCC2CC3)c1 381932334 PPPWYECBMQIUPH-UQVLAFNGSA-N 268.404 4.516 30 10 CJEE CC(C)C1CCC([C@H](O)[C@]2(C#N)CCCC[C@H]2C)CC1 384763750 QPMKOWPUPKDCGE-UIJHXXCUSA-N 277.452 4.530 30 10 CJEE C=C(COCCC)[C@H](CCCCCCCC)NCC 387624803 CXMHZPDCTFMBKY-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCC[C@H](C)Sc1ccc(C(C)=O)cc1OC 462406008 GTIYJQXWDFPTEJ-LBPRGKRZSA-N 278.417 4.735 30 10 CJEE C=CCC[C@H](C)NCc1ccc(-c2csc(C)n2)cc1 541742720 MNQGPZDAYGCFOO-ZDUSSCGKSA-N 286.444 4.563 30 10 CJEE CCCCCCC[C@]1(CNCCC)C[C@@H](C)O[C@H]1C 686451907 AMTQWNZABVNZLA-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C#CCCCC1(CNC2CC2)CC(C)(C)CC(C)(C)C1 688034718 ZLDJOWJKXFFQFU-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCOC1(C)C 693203835 ZJKKPCRNFVOQAW-SFHVURJKSA-N 283.500 4.920 30 10 CJEE C=CCCSCCNCC1CCC(C(C)(C)C)CC1 696045364 RHODRPJJJBLKGJ-UHFFFAOYSA-N 283.525 4.738 30 10 CJEE C=C1C[C@H]2CC(N[C@H](CCC)C3CCC3)C[C@@H](C1)C2 697309784 BWPLLNVSNUKVSX-HLVPYZJISA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3ccsc3)C[C@@H](C1)C2 700366019 MNOPHBSMCRSWQK-GODZRQRCSA-N 261.434 4.534 30 10 CJEE CCCCCCCNc1ccc(N)cc1C(F)F 703709574 XFMKIAAWQLQPHL-UHFFFAOYSA-N 256.340 4.589 30 10 CJEE C=CC[C@H](C)n1ccc2cc(Br)ccc21 715715463 QSZIXCUPLZQFMO-JTQLQIEISA-N 264.166 4.541 30 10 CJEE CCCCCCCCCCCCNCC[C@@H](O)C(F)F 716738567 MHQDDGFSEIUOMA-OAHLLOKOSA-N 293.442 4.513 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)CC=C(C)C 719586124 YECKSWNBPKEJSR-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H](C)COCc2ccccc2)C1 719622009 JAGDBYDQGMQIJA-SCTDSRPQSA-N 285.431 4.949 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CC)[C@H]1CCCOC1 724014325 MZQDVGOZDKOGCZ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C[C@@H](CC1(C#N)C[C@@H](C)O[C@H](C)C1)C1CCCCC1 724280692 DZEHQPWRHWOAQK-RRFJBIMHSA-N 263.425 4.690 30 10 CJEE C=C1CCC(C[C@H](NC)c2ncc(Cl)cc2Cl)CC1 724549708 POQKNZWFLJKNAD-AWEZNQCLSA-N 299.245 4.785 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cccc(C)c2F)CC1 724589909 UDWZTKJKQJYDEZ-MRXNPFEDSA-N 261.384 4.531 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CCCC(F)(F)C2)CC1 724592420 NJFUQPYBEYKMJP-ZDUSSCGKSA-N 256.336 4.518 30 10 CJEE CC[C@](C)(C#N)c1ccc(C(F)(F)F)cc1C(F)(F)F 725395481 UFACDADGANCPEM-LLVKDONJSA-N 295.226 4.915 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCCC(F)(F)C1 793545797 CTOWBXBWIQJHNW-KGLIPLIRSA-N 259.384 4.679 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccccc2)C(C)(C)C)CC1 1127615680 KYJHVHCMFQJGBY-UHFFFAOYSA-N 285.431 4.560 30 10 CJEE C=CC[C@@H](C(=O)N(C)[C@H](C)C1CCCCC1)c1ccccc1 1128357572 PMBACVVEBSFIME-VQIMIIECSA-N 299.458 4.774 30 10 CJEE C=CCC[C@H](CC)Nc1ccc2c(c1)[C@H](O)CCCC2 1182795828 LQEFJWUBTYZLAZ-MAUKXSAKSA-N 273.420 4.603 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1CCC(C)(C)O1 1190493071 HKBVKQCOHAQBGK-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C#CCCCCCCN1CCC[C@](F)(c2ccccc2)C1 1197086482 GGLOSETXUVEMAJ-LJQANCHMSA-N 287.422 4.531 30 10 CJEE C#Cc1ccc(CNC(=O)[C@@](C)(CC)CCCCCC)cc1 1298093220 PSGMVXMBKVBDRT-FQEVSTJZSA-N 299.458 4.671 30 10 CJEE C=CCC[C@H](C)Nc1cnn(CCCC)c1C(C)C 1308732946 VMIRDBPYJKQLAG-AWEZNQCLSA-N 263.429 4.573 30 10 CJEE C=CCCCCC[C@H](C)NCC1(c2ccccn2)CCC1 1308750577 MPGBBVNNTQDFJS-KRWDZBQOSA-N 286.463 4.618 30 10 CJEE C=CCC[C@H](CC)Nc1ccc2sc(C)nc2c1 1308950337 FWMBIGRTKHKMOE-LBPRGKRZSA-N 260.406 4.761 30 10 CJEE C=CCN(C(=O)c1cc(C)c(Cl)cc1C)c1ccccc1 1352312977 YUWQDCPXYDDBBR-UHFFFAOYSA-N 299.801 4.790 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 1436184279 HLWFJQYHTXBZSX-LPHOPBHVSA-N 299.458 4.557 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@@H](CC)C1CCC(C)CC1 1437969910 UTHKLPSWTCWCSK-GPANFISMSA-N 279.468 4.700 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(-c2cccs2)c1 1519986328 HIFSJCNXIZHTBU-ZDUSSCGKSA-N 285.412 4.956 30 10 CJEE C=CCC1(C(=O)NCC2CCC(C)(C)CC2)CCCCC1 1521092104 WTUTXXXVZFVDTG-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCCCCCN(C)C(=O)CCCC1CCCCC1 1522831931 FDPXRQHFKWSRMS-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=C(CNC(=O)/C(C)=C\C1CCC(C)CC1)c1ccccc1 1527586293 YLHUUNGPVUYNNA-SSZFMOIBSA-N 297.442 4.589 30 10 CJEE C=CCC1(NC(=O)c2cccc(C(C)(C)C)c2)CCCC1 1532276928 XNSPMRHSVVGQAT-UHFFFAOYSA-N 285.431 4.603 30 10 CJEE C#CCC1(C(=O)Oc2ccc(CCC)cc2)CCCCC1 1534076578 NTNIAKPZWZOLGJ-UHFFFAOYSA-N 284.399 4.518 30 10 CJEE CCCCCCCCNC(=O)c1sc(C(C)C)nc1C 1535575271 PDSFZUPQDHHPJO-UHFFFAOYSA-N 296.480 4.665 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 1537032531 RBMIMXDNEAAUBK-KZNAEPCWSA-N 285.431 4.636 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C 1538727249 IEXLMLRSDWSTEK-DAQRJJRESA-N 289.463 4.572 30 10 CJEE C=C[C@@H](C(=O)Nc1cccc(SC)c1C)c1ccccc1 1546252268 XCNBLMZOHKRAGZ-OAHLLOKOSA-N 297.423 4.625 30 10 CJEE CC[C@@H](C#N)SC1CCC(c2ccccc2)CC1 1559462188 FCPYGWQROGJTIA-PCKAHOCUSA-N 259.418 4.748 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(F)c2ccccc12 1559880935 WKRVUSZBCHRRSU-CYBMUJFWSA-N 257.352 4.596 30 10 CJEE C=CCOc1ccc(CNC[C@H]2CCC[C@H](CC)C2)cc1 1560469509 FPGXEAWEJXLYFY-WMZOPIPTSA-N 287.447 4.557 30 10 CJEE C=CCCCN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1560804141 SSZNCDZPRPXEMM-NVXWUHKLSA-N 277.839 4.922 30 10 CJEE C=C(CC)CN[C@@H]1CCCC[C@H]1c1ccccc1Cl 1560886192 XHKDIWCBARANBM-DOTOQJQBSA-N 277.839 4.922 30 10 CJEE 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278.610 4.874 30 10 CJEE CCCCCCCOc1cc(CNCC)sc1C 2219364074 LUDNNIPMAIWXEX-UHFFFAOYSA-N 269.454 4.515 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@]1(CC)CC1(F)F 2220089409 ZSVKXCXQJXKSMI-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(F)c(C)c1Cl 2220116518 NGAXILLRSUYBQA-AWEZNQCLSA-N 269.791 4.794 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2220762923 XZSUMNYQYUOLIM-PRHODGIISA-N 277.717 4.571 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1cc(Cl)cc(Cl)c1 2222146829 LSDCVFYLFIDVKA-NHYWBVRUSA-N 284.230 4.692 30 10 CJEE CC1CC(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)C1 2222284260 VLXLXQZWFWPMPF-QRKKZDCGSA-N 265.466 4.873 30 10 CJEE CCCCCCCC[C@@]1(C)C[C@@]1(CO)C(F)(F)F 2223773462 AFFWAMNSELABDT-STQMWFEESA-N 266.347 4.688 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@]1(C)CC1(F)F 2223841301 YTTCNZAJHPJGDR-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCCCCCCC[C@H](C)NCc1nscc1C 2223848933 UWBZVPHSYDBDJM-AWEZNQCLSA-N 268.470 4.680 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@@H]1CC1(F)F 2223867146 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FJIJDROQTXEAJR-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(F)c1F 158076350 GKJQNPRNSSCQHS-HNNXBMFYSA-N 269.379 4.976 30 10 CJEE CCCCCCCCC(=O)C1(OCC)CCCC1 158338197 NLISVRJMAKTVEE-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCNc1nc(CCC)nc(NC)c1C 159055453 PQJHOAQRWIVSLM-UHFFFAOYSA-N 292.471 4.552 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](N)c1ccccc1 167296600 FNYVGWLUJUBYSG-GOSISDBHSA-N 275.436 4.786 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H](OCC)C1CCCCC1 167720995 WTTKYJFEAIZRGW-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE C[C@H]1CCC[C@@H](SCCCC[C@](C)(C#N)NC2CC2)C1 226973836 JCZWHIXAOMQJHQ-USXIJHARSA-N 294.508 4.503 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)C[C@@H](N)C1 227688396 BISBKRSYHAQTGN-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](NC)c2ccccc2O1 229240176 SAWUIWOKJVXOFE-FUHWJXTLSA-N 275.436 4.849 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccccc1C(C)(C)C 229739723 VUYNMJYPCLMPIS-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE Cc1ccc(Oc2ccccc2C(C)C)c(C#N)c1 232741285 MCAOPJOCMATYPX-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE C=CCCCCC[C@@H]1CCCC[C@H]1CNCCC 233082299 ZSQHTIDLLOUSON-SJORKVTESA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@H]2CC[C@H]1C2 252822297 QXIDKDWVOUEMKM-QAETUUGQSA-N 251.458 4.761 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](S[C@H](C)C(C)C)C1 300437539 BFMCINBKJZEIEB-KBUPBQIOSA-N 253.455 4.873 30 10 CJEE CCCCCCCCNCc1sccc1Cl 304562738 NYWBJPFKBCVMDM-UHFFFAOYSA-N 259.846 4.852 30 10 CJEE CCCCCCCCCNCc1sc(C)nc1C 311196900 GCJLMJLYAFXRJS-UHFFFAOYSA-N 268.470 4.600 30 10 CJEE CCc1ccc(CC2(C=O)CCC(CC)CC2)cc1 316797967 IMOXJIWMZOARJN-UHFFFAOYSA-N 258.405 4.577 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](O)(CCC(C)C)C2CC2)C1 380327903 VTVWMRLMZCQDCM-NJAFHUGGSA-N 277.452 4.674 30 10 CJEE O=C(C=C1CCCCC1)c1cscc1C(F)(F)F 380660518 DXRCSUZVRIIDDT-UHFFFAOYSA-N 274.307 4.840 30 10 CJEE C=CCC[C@@H](C)NCc1cccc(OCc2ccccc2)c1 381792240 MDRRAUPHYHKCQS-QGZVFWFLSA-N 295.426 4.710 30 10 CJEE CCc1cc(Br)ccc1NCCCCCC#N 385285863 BEFOZNDHRCEUSV-UHFFFAOYSA-N 295.224 4.507 30 10 CJEE Cc1cccc(N=C2N[C@H](C3CCCC3)CS2)c1Cl 386385666 SJIQFNYFTXWTEO-ZDUSSCGKSA-N 294.851 4.531 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cccc(F)c1Cl 387440579 KKQGPHFMBCINPH-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCCC[C@H]2C1 389247214 CPJLVGKBGQNOSJ-IYBDPMFKSA-N 283.525 4.625 30 10 CJEE Fc1cc(C(F)F)cc(SC(F)(F)F)c1F 396109061 NOQSANMOOVZESR-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H]3C[C@H]2C3(C)C)c1C#N 400089779 JGKXLLNPTJOBFJ-NJZAAPMLSA-N 286.444 4.517 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCc2c(F)cccc2F)C1 402953909 RQWISXUOZFVHGA-DYVFJYSZSA-N 280.358 4.683 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CCC1CCCC1 466424228 CTYQEUJTOPMAQZ-WBVHZDCISA-N 277.452 4.550 30 10 CJEE C=C(C)CCSCc1csc(-c2ccco2)n1 507101228 CJUZEDUMNWKWTA-UHFFFAOYSA-N 265.403 4.603 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H](CC)CCCC 686687271 ZAGBCRDSAYFOCX-SJORKVTESA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)C(C)(C)C(C)(C)C 686690359 SZXQLIMJZMCAFO-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CCCOC1 689631704 MQIAPFSYEMXIQA-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE N#Cc1cc(F)ccc1Nc1cccc(SC(F)F)c1 690177926 BKPGBIDXDGMBNT-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2c(C)cccc21 692189798 IEVVLBFYHJZOMZ-ZIAGYGMSSA-N 286.444 4.941 30 10 CJEE CC(F)(F)C(C)(C)C[C@]1(C#N)CCc2ccccc2C1 697031272 LXVDVBGSKOHCAE-KRWDZBQOSA-N 277.358 4.757 30 10 CJEE CCN(C(=O)OC(C)(C)C)C(C#N)(CC(C)C)CC(C)C 698888206 AAWRZKDODGYBER-UHFFFAOYSA-N 296.455 4.598 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699122888 QZTCWVFTNQUIKS-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CCN[C@@H]1C[C@H](C)CC[C@H]1C(C)C 701856761 YNFDHLQZYPVKBC-OWCLPIDISA-N 251.458 4.639 30 10 CJEE C=CC(C)(C)CCNCc1cc2cscc2s1 701925259 YGTCEPAIHLPGNW-UHFFFAOYSA-N 265.447 4.655 30 10 CJEE CCCCCCCCCC(=O)Cc1ncccc1Cl 704230098 GHGANABFUGHKRV-UHFFFAOYSA-N 281.827 4.987 30 10 CJEE CCCCCCCCC[C@H](N)c1cnn(C(C)(C)C)c1 714277294 KRNRYPSCYIVBDU-INIZCTEOSA-N 279.472 4.779 30 10 CJEE CCCCCCCC[C@H](O)C1C[C@@H]2CC[C@H](C1)S2 716603352 UMAGPIZJLYOVGR-UYTSQGDYSA-N 270.482 4.772 30 10 CJEE CCCCCCCC[C@H](CCOC1CCC1)NCC 716982353 QGKDFAHXIZPGPR-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cscc1C(F)(F)F 717188917 GEXXJIZRRHSQPH-JTQLQIEISA-N 283.746 4.560 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CC[C@@H](CN)C1 724026737 KIJTUWVACFVGPN-MSOLQXFVSA-N 283.500 4.787 30 10 CJEE C=C1CCC(C[C@@H](O)CCCc2ccccc2)CC1 724557166 SICQWRMXKPTVKV-SFHVURJKSA-N 258.405 4.507 30 10 CJEE C=C1CCC(C[C@H]2CC(C)(C)CC[C@H]2C(=O)O)CC1 724599060 JIJNPRBVPPCEEB-LSDHHAIUSA-N 264.409 4.650 30 10 CJEE C[C@H](/N=C1/N[C@H](C2CCCC2)CCS1)C1CCCCC1 725079483 BTEAWXRINGRUST-BBRMVZONSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](N[C@H](C)c1cc2c(s1)CCC2)c1ccncc1 766020576 QMVHBLWFCNOZNS-CJNGLKHVSA-N 298.455 4.600 30 10 CJEE Clc1cccc(CO/N=C(/c2cccs2)C2CC2)c1 821232781 MBRHGPVLVYCDAW-BMRADRMJSA-N 291.803 4.732 30 10 CJEE CCCCCCCCNC(=O)c1ccc(-n2cccc2)cc1 1127271062 HFIRAQYDEDWDFO-UHFFFAOYSA-N 298.430 4.568 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](C)CCCCCC 1131309375 KYUSOOZYXUGUKM-OIISXLGYSA-N 277.452 4.693 30 10 CJEE C=CC[C@H](C(=O)N(C)CCC1CCCCC1)c1ccccc1 1136528324 FNYVIYHDYDUCHW-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1ccc(Cl)cc1)C1CC1 1258719947 MWMYGIRYUYWGKU-MLGOLLRUSA-N 263.812 4.735 30 10 CJEE C=C[C@](C)(CC)C(=O)NCCCCCCc1ccccc1 1279522591 RTPHCXBWCUMTGO-LJQANCHMSA-N 287.447 4.508 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc(F)c2OCC)c1 1289567430 ZVGXTOWMAUGWGV-UHFFFAOYSA-N 299.345 4.510 30 10 CJEE C=CCCCCCN1C[C@@H](c2ccccc2)C[C@@H]1C 1307468528 AATNVJULALITEG-WMZOPIPTSA-N 257.421 4.611 30 10 CJEE C=CCC[C@H](C)N[C@@H](c1cccc(Cl)c1)C(F)F 1308938670 GXOLHJWBPQXAFR-GWCFXTLKSA-N 273.754 4.591 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1 1352104022 INUNNXINMDIAOD-OGWHTMIXSA-N 299.458 4.677 30 10 CJEE C=CC1(CC(=O)N(C2CC2)[C@@H](C)C(C)C)CCCCC1 1353041285 BEEJFYHRPVXGJA-HNNXBMFYSA-N 277.452 4.549 30 10 CJEE C=CCN(C(=O)c1cc2cc(Cl)ccc2s1)C(C)C 1358163886 VCKFFQTZJDJZIS-UHFFFAOYSA-N 293.819 4.591 30 10 CJEE C=CCC1(C(=O)Nc2cccc3ccncc23)CCCCC1 1435490424 XQESGUWZFOIECM-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CCN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(C)(C)C 1461627628 IQZKCICFOVHVQT-KAMYIIQDSA-N 299.458 4.810 30 10 CJEE C=CCCC[C@H](C)NC(=O)NC1CCC(CCCC)CC1 1468202616 QNXRCVWINKOJOH-GTPINHCMSA-N 294.483 4.779 30 10 CJEE C#CCCCCCCN1CCC[C@H]1CCc1ccccc1 1473111515 HKAKNOPEFZZFSH-FQEVSTJZSA-N 283.459 4.667 30 10 CJEE CC(C)CN(C[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1473247287 DOVMMJPTLYFCEL-SJLPKXTDSA-N 284.447 4.847 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCC(C)(C)c2ccccc2)C1 1473955515 FIKXUWFKKLHQGA-SJLPKXTDSA-N 271.448 4.689 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(Cl)s1 1474178455 XHEIMUBYKHPSOS-AWEZNQCLSA-N 291.847 4.679 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc2c(c1)[C@@H](O)CCCC2 1474618726 ATIGSGUIVBSXLA-BEFAXECRSA-N 287.447 4.993 30 10 CJEE C=CC(C)(C)CNC(=O)[C@@H](CCC)c1cccc(Cl)c1 1521351483 GYFVTSSTSZMLPG-HNNXBMFYSA-N 293.838 4.552 30 10 CJEE C=CCCCCNC(=O)[C@@H](CCC)CC1CCCCC1 1530005837 UDOPTDDFQORWBU-KRWDZBQOSA-N 279.468 4.846 30 10 CJEE C=CCC[C@H](C)Nc1cnn(-c2cccc(C)c2)c1CCC 1560797099 UVPRPPIAHXIWLG-INIZCTEOSA-N 297.446 4.900 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)Cc2ccccc2F)c1 1563364228 SXIWRAVVSXQGDK-UHFFFAOYSA-N 298.361 4.523 30 10 CJEE C=C[C@H](CC(=O)O[C@@H](C)c1ccccc1)c1ccccc1 1584326552 WOPPENXUBWMKRO-JKSUJKDBSA-N 280.367 4.651 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](CC)C(C)C 1586658358 YDWPWTKFUXYRIU-GOSISDBHSA-N 287.447 4.664 30 10 CJEE C=C1CCC(CNC(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 1611415325 ACIQZOMWEQZSLL-GOSISDBHSA-N 299.458 4.741 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)CCCCC 1616516070 FFTVKBMBYKUVNU-HZPDHXFCSA-N 265.441 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@]2(C)CCc3ccccc32)c1 1618533624 HCQUOEUUTUZMHK-FQEVSTJZSA-N 291.394 4.562 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](CC)CCC(F)(F)F 1621434327 RITKRNHNTIKEBI-MGPQQGTHSA-N 277.374 4.832 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC[C@H]1Cc1ccccc1 1621455001 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297.508 4.819 30 10 CJEE CCCCCCCC[C@H](C)N(CC(=O)O)CC(C)(C)C 2240644474 JPLAVJIJOXDTNS-HNNXBMFYSA-N 285.472 4.558 30 10 CJEE C=CC[C@H](CC[C@@H]1CCC[C@@H](C)C1)CNC(C)C 2253939156 QMNUYNPEBYANFH-IXDOHACOSA-N 251.458 4.783 30 10 CJEE C=CCCSC[C@@H](NCCC)C1CCCCCC1 2259063137 XYPISDVFNKSSTE-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CC[C@]2(C1)CC2(F)F 2259174143 XBGAZGWDOMNPPX-OCCSQVGLSA-N 256.336 4.518 30 10 CJEE C=C(C)CCCCNCC(C)(C)C1CCCCC1 2259242437 XGINMNDFDLXNPU-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1SCC12CCC(CC1)C2 2261285204 WNSBPFKCCXLETN-FYRZTWFESA-N 263.450 4.772 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CC(C)(C)CCO2)CC1 2265609345 WKMCBSXTVKRPKA-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE CC#CCCCC[C@H](C[C@H]1CCCC12CC2)NCC 2266572999 GSGTYXJDPUAYCM-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE Cc1sc([C@@H](N)CC=CC#CC(C)(C)C)c(C)c1C 2268738640 KPHFGMJDSGOYGQ-HNNXBMFYSA-N 275.461 4.669 30 10 CJEE Cc1cccc2cc(CC=CC#CC(C)(C)C)oc12 2268747770 KKWZGCMALKHJMY-UHFFFAOYSA-N 252.357 4.889 30 10 CJEE Cc1cccc([C@@H](N)CC=CC#CC(C)(C)C)c1Cl 2268815874 KEFIDLJACVMGJS-HNNXBMFYSA-N 275.823 4.644 30 10 CJEE C[C@@H]1CCC[C@@H]([C@H](N)CC=CC#CC(C)(C)C)CC1 2268822414 HZWFQEOXKTVXLS-BRWVUGGUSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1CCCCC1(C)C 2268823654 LNDHFLMSJWSAPB-HZPDHXFCSA-N 261.453 4.526 30 10 CJEE C=C1CCC(C[C@@H](NC)c2csc(Cl)c2OC)CC1 2268912991 BTWHPLAJJWZQOG-CYBMUJFWSA-N 299.867 4.807 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCC[C@@H]1C(F)F 2270048258 BHVSPDITKKXCLE-GJZGRUSLSA-N 273.411 4.784 30 10 CJEE CCCCCCC[S@](=N)(=O)CC1CC(C(F)(F)F)C1 2271714233 MFIADPMZYRTLPV-VZMMOFHHSA-N 299.402 4.592 30 10 CJEE C#CC[C@H]1CCCN(CC[C@@H](C)CCCC(C)C)C1 2272302676 LWHPIVIKORERCC-ROUUACIJSA-N 263.469 4.574 30 10 CJEE CCCCCCCCOCC[C@@H]1CCCC[C@H]1NC 2273199928 KLLWWNQGTIRNOR-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@]12CCC[C@H]1CC2 2273324427 LTKDWQUUVROTIN-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCC[C@H]1CC2 2273365069 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2342300721 SVNJDJAOKZHQLR-NSHDSACASA-N 287.316 4.546 30 10 CJEE C#CCCCC[C@@H](NCC)c1cccc(C(C)C)c1 2343617619 DCWJENGDBOBRRH-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(F)(F)C(F)F)NCCC 2344337168 OOSZDXRWNTZFFD-WCQYABFASA-N 283.353 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1nccc2sccc12 2344374600 JBGPVNXWBILCGW-CVEARBPZSA-N 274.433 4.549 30 10 CJEE C=CCCCCCCCCN1CCC2CC1(C=C)C2 2351691230 CDJHJCOINDCKDG-UHFFFAOYSA-N 261.453 4.944 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CC(C)(C)C[C@H]1C 2352215196 QWLPKUPUMVEWMJ-WBMJQRKESA-N 282.449 4.520 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352800934 ARTRIZDQUJMTQS-FQUUOJAGSA-N 277.374 4.545 30 10 CJEE CC1=CC[C@H](CC2CCC(CC(F)(F)F)CC2)C1=O 2353124619 CUFZMRUQPMWBNQ-WXRRBKDZSA-N 274.326 4.671 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H](OC)C[C@@H]21 2357071554 AJJRLZGCGPXQIK-XLAORIBOSA-N 281.484 4.660 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@]1(F)C[C@@H]1C 2358253756 LRZVLUDUYMCSTE-GVDBMIGSSA-N 286.479 4.877 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665283 ANTKYGWVLFIDCY-LVQVYYBASA-N 285.422 4.912 30 10 CJEE C=CCC(CC=C)Oc1sc(CNCCC)c(C)c1C 2360214126 DTIICBGXAZBYFZ-UHFFFAOYSA-N 293.476 4.764 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccc(CC#N)cc1 2360475405 GGBQOCVEBMTZGJ-UHFFFAOYSA-N 273.420 4.730 30 10 CJEE CCc1nc(SCC2CCC(C)CC2)c(C#N)cc1C 2360509712 ZFHVLTVQFXDXKC-UHFFFAOYSA-N 288.460 4.743 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 20563744 HJJVHJSOZLNISO-CQSZACIVSA-N 276.383 4.610 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 21499688 DBXHADWELHRMAU-HOTGVXAUSA-N 256.393 4.575 30 10 CJEE CC(C)c1ccc(NC(=O)C2(C#N)CCCCCC2)cc1 44764810 VWHLWDUEORSRCC-UHFFFAOYSA-N 284.403 4.613 30 10 CJEE N#C[C@H](C(=O)c1cc2ccccc2s1)c1ccccc1F 49671726 GVFYVVKRYHEERH-ZDUSSCGKSA-N 295.338 4.530 30 10 CJEE CC[C@H](N[C@H](CC)CC#N)c1ccc(Cl)c(Cl)c1 54183604 WOJWJONDMWTMNR-RISCZKNCSA-N 285.218 4.726 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2ccc(C)cc2C)cc1 57684912 CBKCHQNRDGLIMI-GOSISDBHSA-N 279.383 4.688 30 10 CJEE Cc1cc(C)c([C@@H](C#N)CCOc2ccc(F)cc2)c(C)c1 57695832 VOVYUSFEFYNAQW-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE CCC(C#N)(CC)CCOc1ccc(Cl)cc1C 57714789 BWNDAMHSHLWTIV-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1ccccc1 57722903 DVJGIRFEXBCXQW-QGZVFWFLSA-N 279.383 4.668 30 10 CJEE CCCCCCCOCc1cc([N+](=O)[O-])ccc1Cl 59213242 IOKMFPVROYKVOT-UHFFFAOYSA-N 285.771 4.735 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(Cl)s1 59526311 TZZRFZBFNJJJHX-UHFFFAOYSA-N 288.840 4.961 30 10 CJEE C=CCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 71276969 KIDIAXRXVWJURF-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE N#Cc1c(Cl)n(CCc2ccccc2)c2c(F)cccc12 71465996 AWMMCKXRLOFAHN-UHFFFAOYSA-N 298.748 4.548 30 10 CJEE CC(C)[C@@H](CS)CSc1cccc(Cl)c1 87097841 PLHMJSKEILWRIN-JTQLQIEISA-N 260.855 4.634 30 10 CJEE CCCC1CC(C#N)(Sc2cccc(Cl)c2)C1 90238269 SOJLECHKSJHSDA-UHFFFAOYSA-N 265.809 4.905 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)cc2Cl)cc1F 94956796 CZKJMKGBBYTZMX-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCC[C@H](CC)/C(=N\O)[C@@H](O)[C@H](CC)CCCC 100050532 SLCANKHLTWZHRV-WLHPEJTHSA-N 271.445 4.610 30 10 CJEE CCCCCCCCCNc1cccc([N+](=O)[O-])c1 104427406 LJSYXIVNPAKRNO-UHFFFAOYSA-N 264.369 4.757 30 10 CJEE CCC#C[C@@H](C)Cc1cc(Cl)c(OC)c(Cl)c1 107536845 DVOLAQLYNPAFEV-SNVBAGLBSA-N 271.187 4.594 30 10 CJEE C#CC[C@H](C)c1cc(Cl)cc(C(C)C)c1OC 107631505 ZRWIQBVRZHXYOA-NSHDSACASA-N 250.769 4.599 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1C[C@@H](C)N 109763790 BQCRRCLRRMFSIW-CQSZACIVSA-N 297.870 4.969 30 10 CJEE Cc1ccc(Oc2ccc(N)cc2C#N)c(C(C)(C)C)c1 109978119 CZPDGXROTJLLBR-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCC[C@@H](CN)Cc1ccccc1OC 110182039 UDNKKUKNIOABJR-MRXNPFEDSA-N 277.452 4.563 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(Cl)cc1 114871680 FPICSFDDHRSLHI-HNNXBMFYSA-N 254.801 4.908 30 10 CJEE CCCCCCCCCC(=O)c1ccc(N)c(C)c1 115066743 HDFOISJFJUZTCW-UHFFFAOYSA-N 261.409 4.901 30 10 CJEE CCCCCCCC1(c2ccccc2Cl)CNC1 118674274 ZOGJUQLMIQMGGJ-UHFFFAOYSA-N 265.828 4.542 30 10 CJEE CCCCCCCCCC(=O)c1c(Cl)cnn1CC 123735010 WEUVTFDHEPJKKQ-UHFFFAOYSA-N 284.831 4.880 30 10 CJEE CCCCCCCCCCNc1cc(C#N)ccc1N 124467161 CZPSOLNVOQQQIJ-UHFFFAOYSA-N 273.424 4.693 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(SC)cc1 125694163 RREZXJLGKFPOQP-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C1(OC)CCC1 130831852 QFZWZJPBOSJCJU-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCCCCN1CCC(C)(NC)CC1 133412763 NUHSPIFQCWVUJU-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE C=CCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)C 156070977 FRXFTFVDTIYFTD-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC 156123275 WHSYNAKILFICQV-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCNCCCOCCC 216179597 WJLFGCRKPQQKPW-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE N#C[C@H](NCCC1=CCCCC1)c1cccc2ccccc12 219628990 MURXCVNXRWJEQI-FQEVSTJZSA-N 290.410 4.885 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)CCC[C@H](C)N 226398074 DUWARBMDOUMPCE-HOTGVXAUSA-N 269.473 4.850 30 10 CJEE N#Cc1cc(F)cc(Nc2cc(Cl)cc(Cl)c2)c1 227604900 KPYANJSJRYVISB-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@](C)(O)c2cc3ccccc3s2)C1 229461951 XSWUDEYJHYVWCJ-BVGQSLNGSA-N 299.439 4.829 30 10 CJEE CCCCCCCCCCNC1(C(F)(F)F)CC1 229653774 VOWJFJJEOGBJLH-UHFFFAOYSA-N 265.363 4.812 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@](C)(O)CC2CCC2)CC1 229767311 PZKVZXGNHYTRKQ-IIIMJFFVSA-N 277.452 4.674 30 10 CJEE C=CCCCCCSc1ccc(CNC2CC2)cc1 232587665 SVNDRMIXZPHUPM-UHFFFAOYSA-N 275.461 4.777 30 10 CJEE Cc1ccc(Oc2cccc(C(C)C)c2)c(C#N)c1 232757971 MWSJICJWHZFNHQ-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE C=CCCCCC[C@@H](NC)C1CCC(CC)CC1 232906719 JSVVDUVSIHNFHJ-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@H](NCCC)C(C)(C)N(CC)CC 233123951 YQUPVDPOYUILTP-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE CCCOc1ccc(C(=O)C2=CCCCCC2)cc1 233250018 FNMZUUDTCKRALQ-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE Fc1ccc2c(c1)N(CCCCCCCCCS)CC2 236214762 GACWGHIPHMWHGZ-UHFFFAOYSA-N 295.467 4.849 30 10 CJEE C=CCCCCC[C@@H](O)c1ncc(Cl)cc1Cl 236550461 FMLYBKFVKWNSGV-GFCCVEGCSA-N 274.191 4.558 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@H]1C1CC1 250838554 WMFWEYMPDLPAME-OALUTQOASA-N 294.527 4.590 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)CCc2ccccc2C1 250843478 GWPBHMIYUNPVQF-IAAVTCLWSA-N 265.400 4.512 30 10 CJEE N#C[C@]1(C[C@H]2CSc3ccccc32)C[C@H]2CC[C@H]1C2 252811368 GSGDDYSTWRSSOL-AYMQEEERSA-N 269.413 4.596 30 10 CJEE C[C@@H]1CN(CCCCCCCCCS)CC[C@H]1C 252938767 ANHLIUKJCVYJJV-HZPDHXFCSA-N 271.514 4.625 30 10 CJEE Cc1cc(C=NO)c(C)n1-c1ccc(-c2ccccc2)cc1 254559559 HINWUPXAMWTYCU-UHFFFAOYSA-N 290.366 4.569 30 10 CJEE C[C@@H](C#N)c1cc2cccc(C(F)(F)F)c2s1 260070830 CZNICGHDFILBHN-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE CC(C)c1cc(F)c(F)c(C2(C#N)CCCCC2)c1 260668517 SUJMUGLTMZLZSP-UHFFFAOYSA-N 263.331 4.814 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H](C)c1ccccc1 312248529 UWGZOWUQILBFMO-SJLPKXTDSA-N 271.448 4.598 30 10 CJEE Cc1cc(Sc2ccccc2C#N)nc2ccccc12 312646179 KCIGVTWCIUCTGD-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCC(F)(F)F)C1 317247984 CXYCQPRMXFPTJY-VXGBXAGGSA-N 250.304 4.505 30 10 CJEE C=CCCC[C@]1(CNCCC)CCCc2ccccc21 317312416 IMCUCWGDACCSLP-LJQANCHMSA-N 271.448 4.617 30 10 CJEE CCCCCCCCCCCC[C@H](O)CN1CCCC1 328503882 WRDNHJMRARRMQW-SFHVURJKSA-N 283.500 4.754 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1scnc1C 357185984 GTPNKMBMQBIXKP-UHFFFAOYSA-N 286.444 4.916 30 10 CJEE Cc1cccc(N[C@H]2CCCCC[C@@H]2C#N)c1Cl 380616825 METPDSIHRYJINJ-OLZOCXBDSA-N 262.784 4.533 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H](C)CC(C)(C)C 384506470 RJFUEXMDCQGQPZ-FUHWJXTLSA-N 284.532 4.821 30 10 CJEE CCC1(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)CCCCC1 389720877 HPGLEPSKKXROPD-YOEHRIQHSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](CC)NCc1ccc(SC(F)(F)F)cc1 393757589 AQMFYBLTYTVSGZ-LBPRGKRZSA-N 289.366 4.743 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCCC2(CCCC2)C1=O 394279880 DPMPTZKKWHWVTA-HNNXBMFYSA-N 278.436 4.846 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H]1CC(C)C 397014966 AIWFKLCRGRWMCE-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE CC(C)c1ccc(NC[C@H](C#N)C2CCCCC2)cc1 397177611 DADYTQXOLFCTPD-KRWDZBQOSA-N 270.420 4.942 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 464564739 XEGMBOYYUGAIIC-INIZCTEOSA-N 293.410 4.818 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)C1 476166120 VXASBGLQJXEFRD-HOCLYGCPSA-N 285.431 4.913 30 10 CJEE C=CCCCSCc1ncc(-c2ccc(OC)cc2)o1 609805058 OVEFHCHRSFFYBS-UHFFFAOYSA-N 289.400 4.550 30 10 CJEE Cc1ccc(N=C2NC3(CCCCC3)CCS2)c(C)c1 687320125 RTBCRJKROIKZRV-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE Cc1c(N[C@H]2CCCC[C@@H]2C#N)cccc1C(F)(F)F 689659488 GEVFELPOVYGRPM-RISCZKNCSA-N 282.309 4.508 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCCC[C@H]2C(C)C)c1 691140561 ZLCPUHIDIWRBLV-ROUUACIJSA-N 270.420 4.884 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)Cc1ccc(Cl)cc1 692233895 FPQFBAHXNFULRF-KYJSFNMBSA-N 291.866 4.996 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1sccc1Cl 695668220 WINMSOFCOXUEMZ-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCCC[C@](C)(N)[C@H]1C[C@H]2CC[C@H]1C2 704448648 GIBHTMZAGIPGPD-QAETUUGQSA-N 251.458 4.891 30 10 CJEE Cc1ccc(N(C)[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C#N)c1 709181919 FQUCSOUOZNDYKV-GDBMZVCRSA-N 270.420 4.518 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(F)cc1Cl 715800681 TWHHJORGRFODRU-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716544504 HTSJKCCEMNSQFE-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE C=C1CCC(C[C@@H](N)C2C3CC4CC(C3)CC2C4)CC1 724560803 RUXAHAFOGREGHT-OIAUPDTQSA-N 273.464 4.523 30 10 CJEE Cc1cc(N=C2N[C@@H](C3CCCCC3)CCS2)cs1 725085609 RADNFLQQRBFERC-CQSZACIVSA-N 294.489 4.719 30 10 CJEE CCc1ccccc1C#Cc1cccc(C(F)(F)F)c1 725397098 SCSZRCFSHFBZJP-UHFFFAOYSA-N 274.285 4.668 30 10 CJEE N#CCOc1ccc(Cl)cc1CSC1CCCCC1 735230718 HPIKJKZMINGKAE-UHFFFAOYSA-N 295.835 4.808 30 10 CJEE CC(C)[C@@H](C=NOCc1ccc(F)cc1)c1ccccc1 794535045 QTQIPARIBLKYSK-GOSISDBHSA-N 285.362 4.768 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cccc2ccccc12 1124145348 TWAWTJQJGPXBPR-AWEZNQCLSA-N 281.399 4.619 30 10 CJEE C=C(CC)CN(Cc1ccc(Br)cc1)C(C)C 1167172496 YOTOUPOQGMIRLS-UHFFFAOYSA-N 296.252 4.626 30 10 CJEE C=CCCc1ccccc1NCc1cccc(O)c1Cl 1178553364 OOZPDTUCLXIDDD-UHFFFAOYSA-N 287.790 4.776 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1205426232 KKEDFRCJPYKYOK-ARFHVFGLSA-N 251.458 4.926 30 10 CJEE C=CCC[C@H](C)NCC(C)(C)c1ccc(C)cc1C 1205999467 YAQZIJPVFXGOPJ-INIZCTEOSA-N 259.437 4.525 30 10 CJEE C=CC[C@@H]1N(C(=O)Nc2ccsc2C)CCCC1(C)C 1208316340 GPIOHFHCKXLVBK-AWEZNQCLSA-N 292.448 4.655 30 10 CJEE N#CCc1c(F)cccc1-c1ccccc1C(F)(F)F 1239545738 MBESJMIVWJRDGV-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H]1CCC[C@H]1c1ccc(C)cc1 1269821256 ZWVPIXBUPGZMEB-DLBZAZTESA-N 286.415 4.777 30 10 CJEE CCCCCCCCN(C)[C@H]1CC[C@H](SC)C1 1307505497 HLQSDDYADWNMCT-GJZGRUSLSA-N 257.487 4.563 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 1307636643 KPHXLXICGCPUEM-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=CCC1(NCC[C@H]2CCc3ccccc32)CCCCC1 1308002248 BKGPNPSTJRIHTI-GOSISDBHSA-N 283.459 4.975 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1c(C)cc(Cl)cc1C 1310506041 BVOOHMODQUTVSQ-UHFFFAOYSA-N 294.826 4.681 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1 1349840305 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C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)ccc1Cl 2268138824 FXRHGMQOCJSINK-RHSMWYFYSA-N 277.839 4.873 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(N)CC=CC#CC(C)(C)C 2268750849 PZZRLGOMSPQZSF-MAUKXSAKSA-N 261.453 4.526 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccccc1Cl 2268754700 LPAXKHKRIKLSDY-INIZCTEOSA-N 275.823 4.596 30 10 CJEE CCCCCCC[C@@H](NC)c1nccc2sccc12 2268919762 QGOIWQSUXWDDNV-CQSZACIVSA-N 276.449 4.917 30 10 CJEE O=C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC12CCC2 2270043873 MSAYCASLURYYNE-WOSRLPQWSA-N 270.363 4.597 30 10 CJEE CC1(C)C[C@]1(C#N)CCCCCCCCCCCO 2271233186 XUNBFRZJUOTZLT-KRWDZBQOSA-N 265.441 4.820 30 10 CJEE C=CCCCS[C@H]1C[C@@H](NCCC)CC2(CCC2)C1 2271490990 HSYUZSATDCCNRG-CVEARBPZSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cnc(C2CC2)s1 2271842714 ZCXYZUXMDSFZDG-CQSZACIVSA-N 278.465 4.808 30 10 CJEE CCCCCCCOCC[C@H]1CCCC[C@H]1NCC 2273191738 MKIBMMIHJNVNLS-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CCCC(C)(C)CNc1ccnc(C(C)(C)C)c1 2273639754 UZKKGRWQKFPBDD-UHFFFAOYSA-N 260.425 4.783 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H](C)CC(C)C 2276781503 HDJZXWUCWJPYSX-SJORKVTESA-N 271.489 4.763 30 10 CJEE CCCCCCCC[C@@H](N)CCc1ccc(F)cc1 2277458219 NGZVIYXPYZXPIW-QGZVFWFLSA-N 265.416 4.836 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C#N)CCOC23CCCC3)C1 2279798867 IVRBZAKSIKFXTB-BRWVUGGUSA-N 275.436 4.836 30 10 CJEE C[C@H]1CCC[C@H](CCC2(C=O)Cc3ccccc3C2)C1 2279892048 CENZGDZCCCOJGT-JKSUJKDBSA-N 270.416 4.577 30 10 CJEE C=CCCCCCCC[C@@H](O)c1c(C)cc(N)cc1C 2280569923 FXXMLRBSMASZLT-QGZVFWFLSA-N 275.436 4.836 30 10 CJEE C#CCCCC[C@H](NCCC)c1cccc(Cl)c1OC 2283162790 UDGYYYGPRNLLOS-INIZCTEOSA-N 293.838 4.583 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)c1cc(C)ccc1Cl 2283376836 YXIJFQUFADZFEF-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CCCN[C@@H]1CC[C@H](C)C[C@H]1CC=CC#CC(C)(C)C 2284086607 SYDBKVRJBRUBTH-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(F)c(Cl)c1 2284108480 GSDHQMVLABKFNS-MRXNPFEDSA-N 293.813 4.735 30 10 CJEE CCCN[C@@H]1[C@@H](C)CCC[C@H]1CC=CC#CC(C)(C)C 2284115779 NMAWCXNWRXLHCK-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@@H]1CCCCC12CCC2 2284134943 JMRSAUZLOVVDHJ-QGZVFWFLSA-N 273.464 4.637 30 10 CJEE CC[C@H]1CC=C(C(=O)CCCCCCCCCN)CC1 2284909598 AUOKEJIAJAFSTK-INIZCTEOSA-N 279.468 4.772 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCN(CCC#N)CC1CCCC1 2284912274 GWRYYRMDGDPTDY-AEFFLSMTSA-N 276.468 4.609 30 10 CJEE C=C(C)CCCCN(C1CC1)[C@@H](C)c1ccc(O)cc1 2287379691 PTCLUUUGFVLVQF-HNNXBMFYSA-N 273.420 4.664 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc2c(c1)CCCC2 2287386604 XHOAXGZZCRIVGC-IBGZPJMESA-N 271.448 4.876 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@](C)(O)[C@@H](C)CC(C)C 2287391803 GQZXBCSZIBZKAB-BZSNNMDCSA-N 283.500 4.534 30 10 CJEE C=C(C)CCCC[C@H](COc1cccc(Cl)c1)NCC 2287413865 MAFCAEITBCXKJL-MRXNPFEDSA-N 295.854 4.833 30 10 CJEE CCCCCCCCCCN[C@H](CC)[C@H](C)CN(C)C 2288713587 UHPRBSCEZAINOA-QZTJIDSGSA-N 284.532 4.693 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1CC(CCC)C1 2289877086 ZWHRANZHTFYAHK-ACBHZAAOSA-N 275.480 4.765 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C1CC(CC(C)(C)C)C1 2289983140 ZSMDKSFIUNPTHX-OFLPRAFFSA-N 277.496 4.867 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc2c(c1)CC(C)(C)C2 2290158651 ZJJOZFOCPLFROI-GOSISDBHSA-N 271.448 4.818 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H](C)[C@@H]1C(C)C 2293669918 MEVFWJIJQBWSMK-BZSNNMDCSA-N 283.500 4.763 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@]1(C)CCCS1 2294003394 LENBGBLHCSARRO-SJORKVTESA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@@H]1CC)OCCCN 2294539858 YKAUCKQIJLLTPT-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE N#C[C@@]1(C2C3CC4CC(C3)CC2C4)CCCC12CCC2 2294865520 OXNZXDPQIXTYOR-IJNOCJQWSA-N 269.432 4.923 30 10 CJEE CC1CCC(C#N)(c2ccc3cc(Cl)ccc3n2)CC1 2294976875 NWCSSSFVAGLBJD-UHFFFAOYSA-N 284.790 4.860 30 10 CJEE C=CCN(CC=C)[C@@](C)(CN)CCCCCCCCC 2295524205 HKZOCOHGZJHOFS-GOSISDBHSA-N 280.500 4.519 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nc(C2CC2)ns1 2295583097 LFBXAYDGTHXNKB-INIZCTEOSA-N 296.480 4.764 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](OC)C1CCC1 2295683707 FJLABGLKAHKWTJ-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C1=CCCC1 2295688254 CSURRXSFXYJFCL-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCS[C@@H]1CCC[C@](C#N)(NC(C)C)[C@@H]1C 2295761467 NYTVQRCEIWOVTA-BRWVUGGUSA-N 296.524 4.749 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc(Cl)cc1Cl 2298825080 WIGLUAUBUJFZNI-NOZJJQNGSA-N 290.259 4.691 30 10 CJEE C#CCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2301230623 QWUJEOMFRXBHRE-CYBMUJFWSA-N 271.187 4.529 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C)c(Cl)c1 2304035367 LPWBBHCHYCICOP-CQSZACIVSA-N 251.801 4.511 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1c(Cl)ccc(Cl)c1F 2304039778 YKTGQYYBJLBYIK-LBPRGKRZSA-N 276.182 4.735 30 10 CJEE CCC[C@H](CC)COc1ccc(Br)cc1C#N 2307751597 IPSHVSLSZBGZSP-NSHDSACASA-N 296.208 4.526 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309149503 HDNSMJYOFIHRGS-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE C=CCC[C@@H](C)[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2311491440 HRCTXGUBZRTAMX-XBVQOTNRSA-N 250.426 4.556 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCCC 2320251053 WVGHZEGTFGJTBO-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cscc1CC 2321101173 HUHZHJMWCMMCOP-OAHLLOKOSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]1CC)NCCC 2321129159 ZMEROVZQSFNOHE-NCOADZHNSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H](C)[C@@H](C)C(C)C 2321132534 ZMEVJUOJAQIUKI-HRCADAONSA-N 253.474 4.885 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2321134961 RGZJRJSIGFJKBL-LSDHHAIUSA-N 286.246 4.856 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@H](F)C1 2327424940 CPYGGSBZPMCZNU-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE C=CC[C@@H](C)OC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 2335111394 WKNXIICOTFMSGG-IUODEOHRSA-N 280.795 4.587 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1COCC1(C)C 2336148603 RCYLLXHOVVNKLE-CVEARBPZSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1cccc(C)c1 2337110246 YWYZOYZGDJQAKA-KBAYOESNSA-N 257.421 4.781 30 10 CJEE CCCCC[C@H]1CC[C@H](C(=O)C#CC2CCC2)CC1 2337573299 PXQQKRJCWZYYTA-QAQDUYKDSA-N 260.421 4.746 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(F)ccc1C(F)F 2338028663 YLNKRDDZWLBRFV-LLVKDONJSA-N 271.326 4.598 30 10 CJEE C=C([C@@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2)C(C)(C)C 2338788706 YDGBCVFSHUEJGZ-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1C[C@H]2CCC[C@H]1CC2 2339076104 JLXJUOZDTWOMLK-MKBNYLNASA-N 274.795 4.592 30 10 CJEE C=CCC(CC=C)Sc1ccc(CN)c(C2CC2)c1 2339163123 GMIKIVXRDAENQW-UHFFFAOYSA-N 273.445 4.636 30 10 CJEE CN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2339558686 CCNFGMDARCEAEC-RISCZKNCSA-N 296.241 4.612 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@@]1(C#N)CCCc2ccccc21 2340246105 YZDUSEOYTQOXAO-DAYGRLMNSA-N 255.405 4.712 30 10 CJEE Clc1cc(Cl)cc(CNCC#CC2CCCCC2)c1 2341227285 SBQJTRFOTYXALC-UHFFFAOYSA-N 296.241 4.667 30 10 CJEE CCCCCCCC[C@H](NC)C1(C(C)(C)OC)CC1 2343532367 RPDIJZKKAYJKEO-HNNXBMFYSA-N 269.473 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@@H]1CCCC12CC2)NC 2344375166 MELPPCKCAQJCJM-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CCC[C@@H]1C(F)(F)F 2344422245 XCOJPHUCIDMVCF-DYEKYZERSA-N 276.342 4.917 30 10 CJEE CC[C@H](CCC(C)C)N(C)CC1(CS)CC(C)(C)C1 2345006418 MISCLSZVFGJAOY-OAHLLOKOSA-N 285.541 4.869 30 10 CJEE CCC1(CNc2ccc(C#N)c(SC)c2)CCCC1 2353833794 IPRNFNMSNFDJRK-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H]1CCCCC12CCC2 2353841758 SDIDBBARUHEFIB-CVEARBPZSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H]1OCC[C@@H]1C)NCC 2358665588 INKDDPFRRRTVOZ-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCC(CC=C)OC[C@H](NCC)c1ccc(Cl)cc1 2360219367 HUTKZVZYNZGMOB-KRWDZBQOSA-N 293.838 4.528 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1CCC1(F)F)NCCC 2360412265 SXEYVLGVNMXHEX-JKSUJKDBSA-N 279.374 4.503 30 10 CJEE Cc1ccsc1[C@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@@H]21 13645663 RJMCDJMKGOJYSD-KMFMINBZSA-N 292.407 4.755 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)c1ccc2ccccc2c1 20549444 JOYXXBCGXKFGAE-AWEZNQCLSA-N 272.351 4.885 30 10 CJEE C#Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 36719772 FDECSADLWYHCJI-BMGDILEWSA-N 255.405 4.541 30 10 CJEE Cc1cccc(OCCCC[C@@H](C#N)c2ccccc2F)c1 57686423 SWAOQGXSOFIFPW-INIZCTEOSA-N 297.373 4.991 30 10 CJEE CCCCCCCNc1ccc(OC(F)(F)F)cc1 59088859 PNHVGDZBIZCQLI-UHFFFAOYSA-N 275.314 4.968 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccc(F)c(F)c1 59526415 CPCCSADKVKKFDN-CYBMUJFWSA-N 298.373 4.913 30 10 CJEE N#Cc1cccc(NCCCc2cccc3ccccc23)c1 76289148 BWTDMXWBMJEMMQ-UHFFFAOYSA-N 286.378 4.756 30 10 CJEE C[C@H]1CC(Oc2ccc(C(F)(F)F)cc2C#N)C[C@H](C)C1 84961154 IUCCVZJDNSFOKJ-GHMZBOCLSA-N 297.320 4.781 30 10 CJEE CC1(C)CC(C#N)(c2c(Cl)cccc2Cl)C1 86517077 KXRHORPBYHDUQD-UHFFFAOYSA-N 254.160 4.575 30 10 CJEE CC(C)n1c(C2CCCCCC2)nc2cc(C#N)ccc21 86636414 GWUKKONAZUUOGC-UHFFFAOYSA-N 281.403 4.927 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87930433 KRSVQEWTYJHCHS-SWLSCSKDSA-N 281.321 4.968 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)cc(Cl)c2)CCCCCC1 91884120 WRBISKLXBMKJCS-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(Cl)c1 97208449 LMLMLGJNULEAPO-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C=CCCC[C@H](NCC)c1oc2ccc(F)cc2c1C 97219368 FTSNCPRGDQSPPX-HNNXBMFYSA-N 275.367 4.887 30 10 CJEE O=C1C=C(c2ccccc2)C[C@@H](/C=C\c2ccccc2)C1 97472367 NIARZVSDSHNPGJ-WFTPILKQSA-N 274.363 4.763 30 10 CJEE CCCCCCCNC[C@H](C)Oc1ccccc1Cl 100027288 PJCZPOGFVYCRQM-AWEZNQCLSA-N 283.843 4.667 30 10 CJEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(C)ccc1C)C2 100892315 ZYCQOYBBKCOLAT-HNAYVOBHSA-N 283.415 4.624 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cccc(C)c2C)cc1C 103030564 ZWDXMVVEPCPGLN-KHPPLWFESA-N 279.383 4.729 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cc(F)ccc2C)cc1C 103030781 UAEYNTUVYSFMMO-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1C(N)=S 104174043 GNCOQGLTCIPERE-UHFFFAOYSA-N 299.867 4.714 30 10 CJEE CCCCCCC[C@H](NC1CC1)c1nc2c(s1)CCC2 104447899 CUAOEELREKQDAT-HNNXBMFYSA-N 292.492 4.785 30 10 CJEE CCCCCCCn1cc(CC(C)=O)c2cc(F)ccc21 107042956 ONMWYLLKJIVISY-UHFFFAOYSA-N 289.394 4.882 30 10 CJEE CC#CC[C@H](C)c1ccc(CC)c(Br)c1 107478138 LNARDASUOVWVMZ-NSHDSACASA-N 265.194 4.528 30 10 CJEE C[C@H](CS)Cc1c(Cl)ccc(Cl)c1Cl 107503004 BHAKJLGUJJLJBX-LURJTMIESA-N 269.624 4.755 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(C)ccc1OCCC 107584612 YSQSGNHWSFWBKN-JKSUJKDBSA-N 258.405 4.937 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 109945207 JBMKLPPNBFKKIR-GVDBMIGSSA-N 268.404 4.638 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CC)CC[C@@H]1NC 110084088 WLHUJGHSEKPHRL-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)cc(F)cc1F 115062561 AAJBRRMEKAPUCY-CQSZACIVSA-N 273.342 4.854 30 10 CJEE Cc1cc(Nc2cccc(OC(F)(F)F)c2)ccc1C#N 126835020 ZPDLNONFMLGQHI-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE C[C@](O)(c1cc2ccccc2s1)C1(C#N)CCCCCC1 127293218 BAHVYACVMIYCPP-KRWDZBQOSA-N 299.439 4.973 30 10 CJEE Cc1cc(Br)cc(C(=O)C2=CCCCCC2)c1 130736463 RPMBKUWLBUVRQT-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE CCCCCCCCNC[C@H]1Cc2cc(Cl)ccc2O1 159249981 ZSNHEDAYLFEUTR-MRXNPFEDSA-N 295.854 4.594 30 10 CJEE CCCCCCCCNc1c(F)cc(C#N)cc1F 160984972 DKSMAZVTAUKGLU-UHFFFAOYSA-N 266.335 4.609 30 10 CJEE C=C(CC)C[C@H](NCC)c1csc(Br)c1 164150992 IWBDBQHVDGPLSI-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCCCCCCCC[S@](=O)c1cccc(C)c1N 166115107 OXQVJUFCFYKVPG-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C1CC1 167358061 VMFNIVNEPJUYOB-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCCCC(=O)C(C)(C)N 168021120 PRYLPNLKRCHEFL-UHFFFAOYSA-N 255.446 4.604 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCO[C@@H]1C1CC1 168355473 IONRSSHUJCPGLT-RTBURBONSA-N 295.511 4.922 30 10 CJEE CCCCCCC[C@@H]1CCCC[C@@H]1CNC1CC1 211849275 HZDPXKLVKDNSQV-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(C#N)Nc1ccc(Cl)cc1 214721908 BDQSJRJFXGJNBG-CVEARBPZSA-N 276.811 4.860 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(OC)c2)C1 222246680 SCWROAPGJWDCGZ-IOASZLSFSA-N 275.417 4.506 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228551625 VVOWNDXUOVKOMU-PXAZEXFGSA-N 289.806 4.537 30 10 CJEE CCCCCCCCC[C@@H](N)CCC[C@H]1CCCO1 229498594 INIMGVMLQSGWDJ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CC(C)(CS)CSCc1ccccc1Cl 232521568 VNRFCPJWBARRTN-UHFFFAOYSA-N 260.855 4.529 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C(CC)CC 232959845 MXQCLHFBEJYUHQ-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE C=CCCCCCNc1cc(OC)c(Cl)cc1OC 234805131 FKKFAWXINHVWKT-UHFFFAOYSA-N 283.799 4.516 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)Cc1ccc(Cl)cc1 235118012 ZZMLYSRTIDKWKO-ZDUSSCGKSA-N 284.790 4.563 30 10 CJEE Cc1ccc(N[C@H](C)c2ccc(Cl)cc2)c(C#N)c1 235275066 JCDZTUYNWHGFAT-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE Cc1ccc(OCCCCC(C)(C)C#N)c(Cl)c1 235780985 CUAIVMBIMKGOBV-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1[C@H](C)CC 250824109 MNBQYOMIMWWWJE-CEXWTWQISA-N 296.543 4.691 30 10 CJEE Cc1cc(Oc2ccc(C=NO)cc2)cc(C)c1Cl 250967299 ZSNVYFKJJCTIGV-UHFFFAOYSA-N 275.735 4.557 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1[C@H]2CCCC[C@H]21 252898130 FIXZEWOPJZTVSD-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@H](CC)C1 253303700 RWQFGWGCYNSPMZ-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@H]1CC 300603090 LCUMWQHWWMRZNS-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCC(F)(F)C1 302328427 INBIVMWEKRIEKF-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C([C@H](NCCC)c1cccc(F)c1Cl)C(F)(F)F 311425400 FWUUANDTYQBHDC-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE Cc1ccc(Cl)cc1Nc1nc(C)c(C#N)cc1Cl 311565444 LKEMAJVKIBYLDL-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CCCCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 311970743 KVMOOOUERVCFPA-RYQLBKOJSA-N 257.421 4.515 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc2c(s1)CCCCC2 312209606 NYTKNDNTNZIVDB-HNNXBMFYSA-N 289.488 4.717 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC2CCCC2)CC1 316803370 JCOKVJQKSGSVBP-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CSc1cccc(N[C@@H](C(C)C)C2CCC2)c1C#N 324748322 RAWNEDJSQOLFJK-INIZCTEOSA-N 274.433 4.517 30 10 CJEE N#CC1(Cc2cnc(Cl)cc2Cl)CCCCCC1 380919950 AVSZQZYYKSAGHK-UHFFFAOYSA-N 283.202 4.795 30 10 CJEE C=CCC(C)(C)COCc1cc(CNC(C)C)sc1C 381283714 HOWXYCUUJNRILL-UHFFFAOYSA-N 295.492 4.673 30 10 CJEE C[C@H](C1CCCCC1)[C@H](C#N)Nc1ccccc1Cl 381890085 PVFKXAAGZGJDME-WBMJQRKESA-N 276.811 4.860 30 10 CJEE C=C(C)CCN[C@@H](C)c1cc(Cl)ccc1Cl 386730171 AYWWSEHRRPDGQS-JTQLQIEISA-N 258.192 4.610 30 10 CJEE CCCCCCCCCNc1cc(F)cc(OC)c1 388367890 KATLHNAYIICMLX-UHFFFAOYSA-N 267.388 4.997 30 10 CJEE C=CCCCCCCN[C@@H](c1ccccc1)C1CC1 388517407 QVWFKPLIMTUBRL-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCC1)c1ccc(Cl)cc1Cl 397108367 HDWLWRRRWQTINC-CMPLNLGQSA-N 297.229 4.584 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCCC1)c1ccc(Cl)cc1 397200296 PODXPKDSCBXILO-BBRMVZONSA-N 290.838 4.711 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@@H](C#N)C(C)(C)C 397496487 QPGPRKUYFYCDMM-QWHCGFSZSA-N 278.827 4.519 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@H](N)C12CCC2 405233243 RPAMNFHZHBGYIF-GOEBONIOSA-N 255.421 4.737 30 10 CJEE CC1(C)CCC(C[C@@](C)(C=O)c2ccccc2)CC1 405661475 PGTZFUWIALXOSI-SFHVURJKSA-N 258.405 4.750 30 10 CJEE N#CCc1ccnc(Cl)c1-c1cc(Cl)cc(Cl)c1 514261732 LZTXRUWUFUXYOZ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE N#CCc1ccc(-c2c(Cl)cccc2Cl)c(F)c1 514263139 FVGACNYQDIIZRX-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCC[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316392 RVEFNEVYSISJQW-AWEZNQCLSA-N 265.441 4.674 30 10 CJEE CSc1cccc(Nc2ccc(Cl)c(C#N)c2)c1C#N 690222107 WHOMJHZGUJMEHY-UHFFFAOYSA-N 299.786 4.549 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](O)C1CC1 690326914 IHPDBASDWPQXEP-GOSISDBHSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@@H]2C[C@@H]21 691655348 IPFJNHAFJDHAJX-NCOADZHNSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCNCCCOC(C)(C)C 695284050 NRKIKSYBUYSWRB-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CC1(C)CCC[C@@H](NC[C@H](C#N)C2CCCCC2)CC1 697632659 KOJGNSJYGBHDHW-DLBZAZTESA-N 276.468 4.655 30 10 CJEE C=CCCCCC[C@@H](C(=O)O)C1CCCCCC1 699968974 ACQWGKOUFPNUTQ-OAHLLOKOSA-N 252.398 4.794 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)C(F)(F)F)NN 705563081 MOGDHXDBNOKZEH-OLZOCXBDSA-N 282.394 4.548 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2cccc(Cl)c2C)C1 710739322 MPDNKRSDLFRTRO-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE C=CC[C@@H](C)Nc1cc(Cl)c(Br)cc1C 715004392 HHZKZZOWNXGZEV-SECBINFHSA-N 288.616 4.787 30 10 CJEE CCCCCCCCC1(O)CC(OCc2ccccc2)C1 716295652 MPLBFHMVBRKVTE-UHFFFAOYSA-N 290.447 4.847 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](N)C1CCCCC1 718826633 ZKFBNMCBJIQLCR-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CC1(C)OCC[C@]1(C#N)CCc1cc(Cl)cc(Cl)c1 722124777 SLEFPGQYRVCHSD-HNNXBMFYSA-N 298.213 4.635 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cccnc2C)CC1 724558391 JSHRASBVXLOQPQ-SFHVURJKSA-N 272.436 4.567 30 10 CJEE CCCCCC[C@](C)(CC)C(=O)N1CCC(C)(C#N)CC1 781027666 FAGSGOJYCFOFIA-SFHVURJKSA-N 292.467 4.525 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C)CC1CCCCC1 822177933 VLDQASKRADRPDW-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE C=CCN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 1124756593 JOAXATWGVJKCPZ-QXAKKESOSA-N 297.442 4.812 30 10 CJEE C=CCC1(CNC(=O)CC2CCC(C)(C)CC2)CCCC1 1128963564 HFGSGIZJQOVZND-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 1156352623 NZAYJUHJNUQDDK-QFBILLFUSA-N 297.442 4.550 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 1264399141 NNQOFUUPWOFJNI-UHFFFAOYSA-N 295.810 4.526 30 10 CJEE C=C[C@H](OC(=O)C1CCC(C)(C)CC1)c1ccccc1 1279067748 ANOUOVZRIYWOFA-INIZCTEOSA-N 272.388 4.673 30 10 CJEE C=CCCCN(CC)CCSc1cccc(Cl)c1 1308133773 LPRBADXKWWDWCN-UHFFFAOYSA-N 283.868 4.720 30 10 CJEE C=CCC1(CN[C@H]2CCCC23CCCC3)CCCC1 1308762257 ANJIMHHLSRLWRE-INIZCTEOSA-N 261.453 4.825 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(ccn2CCC)c1 1351785740 UFHJUYWSDSKMBA-CQSZACIVSA-N 284.403 4.592 30 10 CJEE C=C1CCC(C(=O)N2CCCCC[C@H]2CC(C)C)CC1 1360818828 PNEJJUNOQLUQRK-KRWDZBQOSA-N 277.452 4.550 30 10 CJEE C=C1CCC(C(=O)N(CC2CCC2)c2ccccc2)CC1 1435383673 GTERTWSABDQSOR-UHFFFAOYSA-N 283.415 4.566 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(C(C)(C)CC)cc1 1436142518 XQOAWYKPMRMVJB-CQSZACIVSA-N 273.420 4.915 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)C=C1CCC(C)(C)CC1 1437623664 YGOPPDTVNUKZJE-DLBZAZTESA-N 289.463 4.764 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cccc([C@@H](C)CC)c1 1437851279 GDWCPDJRUXXQKS-GUYCJALGSA-N 259.393 4.741 30 10 CJEE C#CC[C@H]1CCCN(CC2CCC(c3ccccc3)CC2)C1 1460290998 UJFLVDPNQDTPOJ-JSOIOWGOSA-N 295.470 4.696 30 10 CJEE C=CCC[C@@H](CC)NC[C@@H](c1ccccc1)C1CC1 1474546187 XMZPVRQBQXLFTH-MSOLQXFVSA-N 257.421 4.515 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)C(=C)C 1521931369 IBVLVGGPIRYKEO-UHFFFAOYSA-N 297.851 4.518 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccccc2)cc1 1522511234 CMWOOBRXXYSLLM-IBGZPJMESA-N 279.383 4.894 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc2ccn(C(F)F)c2c1 1531729673 PQSWRKBGLHOZRB-UHFFFAOYSA-N 292.329 4.577 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(Cl)cc1C)c1ccccc1 1532386618 CDFSTBAUVJVONG-MRXNPFEDSA-N 286.758 4.733 30 10 CJEE C=CCCC[C@H](NC(=O)C(C)=C(C)C)c1ccccc1 1537026303 CWOHXKZRWCCINL-KRWDZBQOSA-N 271.404 4.557 30 10 CJEE Cc1cccc([C@H]2CCCCN2C[C@@H](C)CCC#N)c1C 1560633783 FNPHSDUKAORGRK-HNAYVOBHSA-N 284.447 4.770 30 10 CJEE C=C1CCC(C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)CC1 1583889589 GFJFAYDEJVPEFE-AEFFLSMTSA-N 291.479 4.940 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(CC)CCC 1584864080 POKQRFQWJDLDNG-HKUYNNGSSA-N 287.447 4.506 30 10 CJEE C=CCC(F)(F)C(=O)O[C@H](C)c1oc2ccccc2c1C 1584921994 PEDNULGORXJDAI-LLVKDONJSA-N 294.297 4.557 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCCC1(F)F 1625945106 PZIOWJLJCMCEQT-AWEZNQCLSA-N 293.357 4.569 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc(C3CC3)c2)c1 1627395089 PQWOIVQVHPJRCW-UHFFFAOYSA-N 277.367 4.849 30 10 CJEE C=C(C)c1cccc(NC(=O)c2sccc2Cl)c1 1627395434 ZWOHVJZMJYCVNH-UHFFFAOYSA-N 277.776 4.687 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1=CCC(C)(C)CC1 1627840736 CYUAKCHTQLMGGU-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC(C)(C)c2ccc(CC)cc2)C1 1650640670 LUWOMSBPMGQOHK-MJGOQNOKSA-N 285.475 4.861 30 10 CJEE C=CCC1(CNCc2c(F)ccc(F)c2Cl)CCCC1 1651073369 IQLUOSHVJXQZCK-UHFFFAOYSA-N 299.792 4.844 30 10 CJEE C=CCN(Cc1c(C)ccc2cc(C)ccc12)C(C)C 1652362966 GVMAOBWBYOLWTN-UHFFFAOYSA-N 267.416 4.853 30 10 CJEE CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1C 1653241792 FWDMIONLMYYBPQ-XLIONFOSSA-N 298.474 4.843 30 10 CJEE C=CC[C@H]1CCN(CCCSc2ccccc2Cl)C1 1655175849 RFNDSCFNRPADQY-AWEZNQCLSA-N 295.879 4.720 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCc1ccccc1Cl 1659400575 CVOHQNVFTOXOTH-AEFFLSMTSA-N 291.866 4.997 30 10 CJEE C=C1CCC(CNCc2cc3ccccc3s2)CC1 1663224215 XJQMIFRPISAYJN-UHFFFAOYSA-N 271.429 4.737 30 10 CJEE C=C(C)c1cccc(NCc2ccc(CC(C)C)nc2)c1 1663413636 HEBCGOTWCDTQSD-UHFFFAOYSA-N 280.415 4.925 30 10 CJEE CO[C@H]1CCC[C@@](C#N)(CC2(C(C)(C)C)CCC2)C1 1876743811 SSQBIZRZGCNUEI-HOCLYGCPSA-N 263.425 4.692 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccccc1C 1879647599 OUSKOZBRFUBPEL-SFHVURJKSA-N 257.421 4.619 30 10 CJEE C=CC[C@H]1CCCCN([C@@H]2CCC23CCCCC3)C1 1883701736 CBKZUWUYIULVOQ-DLBZAZTESA-N 261.453 4.778 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@@H]1C(C)(C)C 1883909481 CYOPEFFKVDJTNL-MSOLQXFVSA-N 271.448 4.747 30 10 CJEE C=CCCCCCN(C)CC(F)(F)C1CCCCC1 1884235641 RDUYDTXGDLPFNF-UHFFFAOYSA-N 273.411 4.880 30 10 CJEE C=C1CCC(CN(C)C2CCC3(CCC3)CC2)CC1 1884408034 TWBOSGCLIJITMG-UHFFFAOYSA-N 261.453 4.778 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1[C@H]2CCCCC[C@H]21 1886639739 TWVNMKSKZHWWSP-ACDBMABISA-N 283.459 4.891 30 10 CJEE C#CC[C@H](CCC[C@@H](NCCC)C(C)(C)C)C1CC1 1887487791 CXCHBIGKBJSYJP-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC12CC(F)(F)C2 1887978037 ROAHUQNGLAGSJV-MRXNPFEDSA-N 291.385 4.500 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H](CCC)C(C)C 1888688732 JUVPSEVYMQYXAN-QZTJIDSGSA-N 259.437 4.750 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)[C@H]1CCCCC1(C)C 1888705659 NVHFFCNQJJFLHL-IAGOWNOFSA-N 257.421 4.504 30 10 CJEE CC(C)CC(=CB1OC(C)(C)C(C)(C)O1)c1ccccc1 1911607277 LULPHSNKQFESJK-UHFFFAOYSA-N 286.224 4.748 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)c(F)c1)[Si](C)(C)C 1922870288 SPCWRAFKVBOBPE-OAHLLOKOSA-N 299.893 4.953 30 10 CJEE C[C@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1)C1CCCCC1 1924097696 KRXFKCLUGMWULR-LRDDRELGSA-N 289.806 4.733 30 10 CJEE CCC[C@@H](CS)COc1ccc2sccc2c1 1940813626 JVFKHJRTAWGPRE-LLVKDONJSA-N 266.431 4.626 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCSC2CCCC2)C1 1944168671 AAMGPMNSQWNAAM-DZGCQCFKSA-N 251.439 4.772 30 10 CJEE C=C(Br)CCNc1cc(C)c(Cl)cc1C 1959691511 QRSPGUXJHBWCGF-UHFFFAOYSA-N 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RELQLBSIMQJKLJ-OAHLLOKOSA-N 254.439 4.614 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1c(Cl)cc(F)cc1Cl 2302209134 FFXPAAIGJKRSBU-AMIZOPFISA-N 276.182 4.735 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)cc1CC 2302871111 GXTLMDKXHXHSEA-OAHLLOKOSA-N 251.801 4.519 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C)c(Br)c1 2304026550 AIWUKKOKXMJUNH-CABCVRRESA-N 296.252 4.750 30 10 CJEE O=C(C=C1CCCC1)c1cc(F)c(Cl)cc1Cl 2306223332 DPCXQFSPMHXHFC-UHFFFAOYSA-N 273.134 4.816 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12C[C@H]1[C@H](C)C2 2308840497 QRZDHNAGSCGKJT-LTIDMASMSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@H]1CC[C@@H]2C[C@@H]2C1 2312621044 NGONZGJMBCGYHA-WCXIOVBPSA-N 251.458 4.891 30 10 CJEE C=C(Cl)CC(=O)[C@@H](c1ccccc1)C1CCCC1 2319603214 ONXGJWAQMGQDCH-INIZCTEOSA-N 262.780 4.672 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@@H]1CC1(C)C)NCC 2321098385 JJEKDCFSZBRXKM-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=CCC1(NCc2cc(F)c(Cl)cc2Cl)CCC1 2325183772 JPNTYKORSMUQJI-UHFFFAOYSA-N 288.193 4.721 30 10 CJEE CCCCCCC[C@@](C)(S[C@@H](C)C(C)C)C(=O)O 2326832965 DUMRGKRDWNTELK-DZGCQCFKSA-N 274.470 4.968 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2333961133 XZPRNTZLSAXTKF-PVWHLQNVSA-N 263.469 4.760 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCC1(F)F)NCCC 2335422850 XOEQWHZGHQLNCG-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C1(CC(C)C)CCCC1 2338733091 OXCCXEAHUFNSHP-QGZVFWFLSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1ccc(C(F)(F)F)s1 2338748160 XDLNZUHMRHWDMQ-CYBMUJFWSA-N 290.350 4.743 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@H](CC(C)C)C1 2338810363 PKSUSVXLJGMUDF-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1cc(Cl)ccc1C#N 2343116355 AGIAVCJWXYDRHL-GXTWGEPZSA-N 276.811 4.696 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CC1(C=O)C[C@@H]2CC[C@H](C1)S2 2343369939 YAKUUBJFOHTNGU-ASIQBQNASA-N 280.477 4.692 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCC[C@H]1OC(C)C 2344813900 SSTXUTYMTWJYTP-IAGOWNOFSA-N 269.473 4.625 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C(C)C)ccn1 2352772341 KAXNXRJEQRENJC-INIZCTEOSA-N 262.441 4.826 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@]12CCOC[C@@H]1C2 2357354867 PXAOUSCWROWOIA-RCCFBDPRSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H](C)CC1CCC1 2360324322 OYAZEZXLKVQLOK-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(C)c(F)c1 2360327520 OPHKPJMDGXOQSI-WMLDXEAASA-N 295.467 4.873 30 10 CJEE CC(C)c1ccc(Oc2ccc(C#N)cc2F)cc1 36886834 DSJRMNVMWMGLIQ-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CC(C)CS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37156412 IBPXRZKPXWKCLO-BBWFWOEESA-N 273.445 4.852 30 10 CJEE CCc1ccc([C@H](C)N[C@@H](CC#N)c2ccccc2)cc1 55017377 PFLPLZBPIPKGST-KXBFYZLASA-N 278.399 4.555 30 10 CJEE CCc1ccccc1OCC[C@H](C#N)c1cccc(Cl)c1 57685944 GSJWALNLQQJULK-MRXNPFEDSA-N 299.801 4.979 30 10 CJEE Cc1ccccc1OCCCC[C@H](C#N)c1ccccc1F 57686435 INOOVEMBHZJZGF-MRXNPFEDSA-N 297.373 4.991 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccc(C)c(C)c1 59083619 FMGZFJRPSPGFET-SFHVURJKSA-N 277.452 4.680 30 10 CJEE CCCCCCCCOCc1cc(N)ccc1Cl 59213241 WUTLOFCZZKAWPX-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC)c(Cl)c1 59276884 UTHJRHNFKODVAD-OAHLLOKOSA-N 283.843 4.970 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(N)=O)ccc1Cl 59422977 VHKQBRJCVDBRIA-LBPRGKRZSA-N 296.842 4.600 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(N2CCCC2)nc1 59431435 QFORSHFDZUPSGQ-MRXNPFEDSA-N 289.467 4.843 30 10 CJEE N#Cc1cc(Sc2ccccc2Cl)nc2ccccc12 68796748 UIUJKMNTNGUZPZ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE C=C[C@@H](C)Oc1ccc2cc(Br)ccc2c1 71136802 PQBGBIJBFDTPMQ-SNVBAGLBSA-N 277.161 4.556 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 71159630 NJQSVIUVEDAQKA-OCCSQVGLSA-N 296.336 4.958 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)CC[C@@H](C)CCS 94579707 IHKCKTJIKNYFMR-OLZOCXBDSA-N 285.884 4.679 30 10 CJEE N#Cc1ccc(Sc2cc(Cl)ccc2Cl)cc1N 94591450 KIWQLXQLRBZWDW-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C=CCC[C@@H](NCCC)[C@H]1CCCc2sccc21 97220701 FLDZDLAXWSGAFL-DZGCQCFKSA-N 263.450 4.502 30 10 CJEE CCCCCCC[C@@H]1CCO[C@H](c2ccc(OC)cc2)O1 100293672 WTNCBDULDJDQII-MSOLQXFVSA-N 292.419 4.860 30 10 CJEE CCCCCCCCCCCCOCCC(C)=O 100683803 VNYKUCGNTVFPHL-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(F)ccc1F 104197610 POQNVVTYRUNTHR-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCN1C(=O)[C@@H](C)Nc2ccccc21 104659925 VCFWPKRXCFSACC-OAHLLOKOSA-N 288.435 4.584 30 10 CJEE CCCCCCCOc1cccc2c1CC[C@@H]2NCC 110100981 KGGMLTOLGDVJSO-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCCCOCCN[C@H]1CCCC[C@@H]1C 110239541 FBHANTLJDMPSDJ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CN(Cc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 110247524 ZSJSKXIUVBYOAV-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(Cl)c(C)c2)c1 110261455 HJHGDEVJPFPQHB-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCCN1CC[C@H](N)c2ccccc21 113831289 HZYIRZHUSQQWLS-KRWDZBQOSA-N 274.452 4.647 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(F)cc1F 114782552 GRLNGTARHANAFS-OAHLLOKOSA-N 270.363 4.619 30 10 CJEE CCCCCCCCC[C@H](N)CSC(C)(C)C 114863743 BIDYQYQQFLWPEI-AWEZNQCLSA-N 259.503 4.986 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)CCCN2C 115832356 OODAJLLSKYKDQJ-IBGZPJMESA-N 289.463 4.853 30 10 CJEE CCCCCCCC[C@@H](N)CSc1cccc(F)c1 116703293 PHMZINZPEIDAGL-OAHLLOKOSA-N 283.456 4.996 30 10 CJEE CCCCCCCCC[C@@H](NCC)C(C)(C)OC 118395857 LXAYRRFUBXZSTP-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(C)c(OC)c1 122191597 VQPOTAKBEDWETH-KRWDZBQOSA-N 292.467 4.649 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2cccc(C)c2o1 124978220 ANJIVVSJRQQPQZ-OAHLLOKOSA-N 274.408 4.606 30 10 CJEE CC[C@H]1CCCCCN1CC1(CS)CCCCC1 126523400 AGBPHOZFHGNNJH-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1OC)c1ccccc1 129952341 XVZWMMNULUJRCI-INIZCTEOSA-N 280.371 4.520 30 10 CJEE N#CC1(C2(O)CCC3(CCCC3)CC2)CCCCCC1 130473335 LPDFAZOSARDPLD-UHFFFAOYSA-N 275.436 4.716 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(OC)cnn1C(C)C 130571654 OVPDJEDYPDKQLO-OAHLLOKOSA-N 295.471 4.613 30 10 CJEE CCCCCCCCCCC[C@H](NN)C1CCCC1 131231038 CZHDKZPEPVLZNM-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](OCC)C(C)(C)C 131489201 UYVSXWQNQNZTPE-LSDHHAIUSA-N 257.462 4.516 30 10 CJEE CCC[C@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)C(C)C 155838742 CTRMQJADQGNAGV-STQMWFEESA-N 292.448 4.515 30 10 CJEE C=CCC[C@@H](CCCCCCCCCCC)NN 157140480 WYUOZKGKTGDQNP-INIZCTEOSA-N 254.462 4.705 30 10 CJEE CCCCCCCCCC1(CNC)C[C@H]2C[C@@H]2C1 157394867 ASYIISWIQVNJEJ-HZPDHXFCSA-N 251.458 4.763 30 10 CJEE C=C(C)CC[C@H](NC)C(c1ccccc1)c1ccccc1 164516699 HWDZKAVBIUZPNH-IBGZPJMESA-N 279.427 4.763 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2c(C)cccc2C)C1 215756383 JVFUVQKXFUOSFB-SJLPKXTDSA-N 255.405 4.956 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccco2)C1 222267619 RXNOYKQLOISFSQ-NFAWXSAZSA-N 263.406 4.621 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCCC1(C)C 226908537 XIMIIOCVZMVQPS-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCCNC(C)(C)CCc1ccccc1 229287028 IKUZAISKVIXUGY-UHFFFAOYSA-N 261.453 4.958 30 10 CJEE CCCCCCCCCC[C@@H](CCOCC(F)F)NC 232089608 UHGBDAOGZUYTDV-HNNXBMFYSA-N 293.442 4.777 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CCCCC 232970838 PMYOKQPTXZEREQ-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(Br)cc1 234458121 BJOFNWCEMXCNAM-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc3ccccc3c2)CC1 235380712 HNZLYGYQRZKKOD-ZDUSSCGKSA-N 250.341 4.769 30 10 CJEE Cc1cc(C)c(CC(=O)C=C2CCCCC2)c(C)c1 235831283 XTEGZBJQHUPJAR-UHFFFAOYSA-N 256.389 4.614 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CCCc2ccccc21 236397797 SVVUXTBTQCCBHS-GOSISDBHSA-N 268.400 4.956 30 10 CJEE ON=Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 250265724 WTHAWEGNNSLFMR-UHFFFAOYSA-N 282.126 4.594 30 10 CJEE CCCCCCCCCCN1C[C@@H](C2CC2)NCC[C@H]1C 250840675 XPKCLOJZQLRWGB-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1CC 250842530 YMAIPXWIZHMETF-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE FC(F)Oc1ccccc1C=Nc1ccc(Cl)cc1 254827343 RWAKFPMLVOBIRC-UHFFFAOYSA-N 281.689 4.692 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@H](O)C1 300002962 JBBFGUDGYKVWPN-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE C=CCCCCN[C@@H](CC)c1ccc(Cl)cc1 310093524 SUZWTCYUJYFDGJ-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCC(F)(F)C1 312128306 KBYAMMHFMYJCJM-CABCVRRESA-N 285.422 4.620 30 10 CJEE CCSc1cccc(N2C[C@@H](CC)CC[C@H]2C)c1C#N 312871283 DPJFMBFLPRKPPH-KGLIPLIRSA-N 288.460 4.685 30 10 CJEE C=C([C@H](NCCC)[C@@H](CC)c1ccccc1)C(F)(F)F 312967625 ONROYJZSFVTQKE-GJZGRUSLSA-N 285.353 4.667 30 10 CJEE CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C1CCCC1 313428058 NDAJWCUXVJKQIN-KBXCAEBGSA-N 270.420 4.568 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)cc(Cl)c1 384935410 DKGHBWVXAAMHAV-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE FC(F)c1cccc(N=C2N[C@H]3CCCC[C@@H]3CS2)c1 386259741 VBNMVUSCNVLBFE-YPMHNXCESA-N 296.386 4.507 30 10 CJEE C=C(C)CCN[C@H](Cc1cccs1)c1cccs1 395769610 NXSABBPVSQNZPX-CQSZACIVSA-N 277.458 4.649 30 10 CJEE CCCC1CCC(C#N)([C@](O)(CC)[C@H]2CC2(C)C)CC1 397586883 ATIINNYFFUXBCN-LSCKAKRGSA-N 277.452 4.674 30 10 CJEE C=C([C@H](NCCC)c1csc(C)c1C)C(F)(F)F 399893594 XOYQFUIQQWUMOW-LBPRGKRZSA-N 277.355 4.524 30 10 CJEE CCCCCCCC[C@H](NN)c1csc(C)c1C 399981954 HJLLDZHQODBJBO-HNNXBMFYSA-N 268.470 4.620 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@H]2C[C@@H]2C1 403337766 SPSRPZMVYPLLRH-QZWWFDLISA-N 251.458 4.891 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H](NCC)CO[C@@H]1C 405828938 RZSBMHKBZOSYFJ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccccc1-c1nnc(C)o1 449004284 XALMAWVQGXGSEP-CYBMUJFWSA-N 285.391 4.592 30 10 CJEE C=C[C@H]1CCCCN1C(=O)Nc1c(Cl)ccc(C)c1C 489075231 QFNPTWYURVRQGY-ZDUSSCGKSA-N 292.810 4.529 30 10 CJEE C#CCN(C(=O)Nc1c(C)cccc1C(C)C)C1CCCC1 491037396 DFUWAWDDPAPBTR-UHFFFAOYSA-N 298.430 4.528 30 10 CJEE CCCCCCCCC[S@](=O)Cc1cccc(F)c1 526896409 IDGDVGZEFOKTDG-IBGZPJMESA-N 284.440 4.825 30 10 CJEE C#CCCCCC[C@H](NC)c1cccc2ccsc12 686686844 HCGACNKYOPNYPQ-INIZCTEOSA-N 271.429 4.746 30 10 CJEE N#C[C@]1(CCCC2CCC2)CCCc2ccccc21 688867813 JXESAEWBLYSFDW-SFHVURJKSA-N 253.389 4.755 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@]12COC[C@@H]1C2 689098143 KORUPSMKJYZNNL-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE C[C@@](C#N)(C[C@@H]1CC2CCC1CC2)c1ccccc1 691773067 FFMVCHSJKQKMAX-OBQMCRIKSA-N 253.389 4.684 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(=O)O)cc1Cl 692216052 VIMCFLYJPVNHMF-SMDDNHRTSA-N 293.794 4.585 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@@H]1C1CC1 695870140 GXJNVXIGLIJVQK-GDBMZVCRSA-N 288.822 4.617 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1NCCC 698809899 COJCOTLVMDBICB-KSZLIROESA-N 283.500 4.778 30 10 CJEE CCCCCCC[C@@H](C)NCCSCC(F)(F)F 698942708 GRJHCFKSYBDEKU-GFCCVEGCSA-N 285.419 4.621 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc2ccncc12 702771493 ZEGLTDCOQCFSEH-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccsc1Br 704943742 CXWMOEAADNHDCX-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccsn1 705415688 VNROFMUQUYGDCU-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714442250 YRKPYHFLTGJEGS-ARFHVFGLSA-N 260.421 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cccc(OCc2ccccc2)c1 715716534 AHCKSCDFSGOVNS-UZLBHIALSA-N 295.426 4.738 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(Cl)c1 715767742 DOPRVBDRKZOZKU-CZUORRHYSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 715773664 ZYUHRRSHPBVDCJ-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC(=O)C[C@@H](N)C1CCCCC1 718732711 VDSSFOAUMNIIIO-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE CSC1CCC(CNc2cc(Cl)ccc2C#N)CC1 720536143 JBQJWEBWPWURGR-UHFFFAOYSA-N 294.851 4.545 30 10 CJEE CCCCCCCCC[C@H](CC1CC(C)(C)C1)NN 723586928 CCTKSOVOAJLIOH-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H](CCC)CC(C)C)C(C)C)c1 1125773736 UQRLHCJWAMAISC-GOSISDBHSA-N 299.458 4.872 30 10 CJEE C#CCCN(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 1192081376 XBAIEDLPYOMPMZ-OAQYLSRUSA-N 289.422 4.508 30 10 CJEE C=C(CC)COc1cccc(C(C)(C)C)c1Cl 1307367354 JVYICVNWHYOJRD-UHFFFAOYSA-N 252.785 4.983 30 10 CJEE C=CCC[C@@H](NCc1csc(C2CC2)n1)c1ccccc1 1307627587 ZWDGCUGNWKHPRI-QGZVFWFLSA-N 298.455 4.818 30 10 CJEE CCCCCCCCN1CCSC(C)(C)CC1 1307731144 GYRYKBDDFXNTEF-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE C=C[C@H](CC)CC(=O)N(Cc1cccc(Cl)c1)C(C)C 1354235124 SMVZUCUHIVCGAV-CQSZACIVSA-N 293.838 4.679 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H]2CCCC3(CC3)C2)CCCC1(C)C 1436083636 KKVXUARVINHGIH-JKSUJKDBSA-N 289.463 4.550 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(-c2ccc(C)cc2)n1 1439590436 HCIRQQRTSXJNDN-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CCC(C)(C)C(=O)N(CC)C[C@@H](CC)c1ccccc1 1459232756 XZYMCXGOYQVHMB-MRXNPFEDSA-N 287.447 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(C)CCCCC2)c1 1463259276 UFZFQMHFHDUKFS-UHFFFAOYSA-N 257.377 4.629 30 10 CJEE C=CCC[C@H](NCC12CCC(CC1)C2)c1ccccc1 1473327568 QXKCSZLBNDVUBR-AVAKVYKDSA-N 269.432 4.864 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@@H](c2cccc(F)c2)C1 1474497761 MYUIVACAUCZQDY-IEBWSBKVSA-N 287.422 4.635 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)Cc1ccccc1SC 1474641793 HLVXDLDBOSJLKJ-AWEZNQCLSA-N 277.477 4.531 30 10 CJEE C=CCN(C(=O)CC[C@@H](C)c1ccccc1)c1ccccc1 1524510427 XFUOLJFVHUUIRC-QGZVFWFLSA-N 293.410 4.790 30 10 CJEE C=CCCC1(CNC(=O)c2cccc(C3CC3)c2)CCCC1 1528541708 NNTPSCKWZALXQQ-UHFFFAOYSA-N 297.442 4.820 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)Cc1oc2c(C)cccc2c1C 1530867277 LANDJJPLXBJXQL-HNNXBMFYSA-N 299.414 4.610 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccccc1)[C@H](C)C(C)C 1537969253 HTMUWVXXOFHJGC-HZPDHXFCSA-N 273.420 4.666 30 10 CJEE C=CCC(C)(C)C(=O)N1CCCCc2cc(Cl)ccc21 1539287630 WUZPPZAYGXVGQT-UHFFFAOYSA-N 291.822 4.612 30 10 CJEE C=CCC(C)(C)CN[C@H](C)CCc1c[nH]c2ccccc12 1560852585 JUTMFOCOQAROPW-OAHLLOKOSA-N 284.447 4.681 30 10 CJEE C=CCCC1(CNC(=O)C2CCCCCC2)CCCC1 1587244549 ZCSPRQULBOLMFM-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C(C)CCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 1618605510 WDMGHBQZIRQAGZ-KRWDZBQOSA-N 273.420 4.731 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](CC)c1cc(C)ccc1C 1624321462 YLBWOIWEOJRGLV-SFHVURJKSA-N 285.431 4.639 30 10 CJEE C#CCCCCCCN(C)[C@@H]1CCC[C@H]1C(C)(C)C 1643481120 HDRGAZOXSCKZOS-IAGOWNOFSA-N 263.469 4.717 30 10 CJEE C=CC[C@@H](C)SCc1ccc(OC)c(Cl)c1 1651968887 HFQXOOJXWICEJD-SNVBAGLBSA-N 256.798 4.546 30 10 CJEE C=CCCC1(CNc2ncnc3ccccc23)CCCC1 1652039715 QETORCAOXUPZRW-UHFFFAOYSA-N 281.403 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2241178564 RNCYLKOMKUOEOT-GOSISDBHSA-N 268.356 4.515 30 10 CJEE CCCCCCCCC[C@](C)(CN)NCc1ccccc1 2242459939 RFTYBSBAAAXWPG-LJQANCHMSA-N 290.495 4.634 30 10 CJEE Cc1cc(Br)ccc1SC[C@@H](C#N)C(C)C 2243757952 YKGQYWDUVVRMPN-LLVKDONJSA-N 298.249 4.645 30 10 CJEE COc1cc(Cl)c(C(=O)C(C)=C(C)C)cc1Cl 2247724820 MVDYUXSIOAEKBE-UHFFFAOYSA-N 273.159 4.541 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cc(Cl)cs1 2248468782 PMLZZNOZSRWCKI-UHFFFAOYSA-N 266.793 4.580 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C)ccc1Br 2250168086 YTCQFQBQXKFKBD-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE C=C(C)CCCC[C@H](O)c1ncc(Cl)cc1Cl 2250183454 MZEVNRIGGHEOCK-LBPRGKRZSA-N 274.191 4.558 30 10 CJEE N#Cc1c(F)cccc1-c1cc2sccc2s1 2252874125 VGSASOFOJYXBJG-UHFFFAOYSA-N 259.330 4.641 30 10 CJEE CCCCCCCC[C@@](C)(N)c1c(C)nsc1C 2255076408 POIINRGVJYOLFB-OAHLLOKOSA-N 268.470 4.684 30 10 CJEE C=C(C)CCCC[C@H](NC)C1C[C@H](C)C[C@@H](C)C1 2259195366 RWALAKKRQZDSBR-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H]1CCC 2259198978 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XYNXEXZEAYFPST-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CC1(NCc2sc(C(F)(F)F)cc2C)CCCC1 2277865697 WNYJVIWTWZDADP-UHFFFAOYSA-N 289.366 4.664 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1CCO[C@H]1C 2278167810 XNBVLAJDCDPBFJ-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@@H](CCC)O1 2278238508 SLLKOWGGIKKXPY-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](OC)C(C)C 2278246194 ILUDWOIVHBWDNL-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CC(C)(C)c1ccc(Nc2c(F)cccc2C#N)cc1 2280475427 AKYPOEQLXZWSLE-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(N)c(C)c1C 2283470831 CZEGBGMTEWWYOT-SFHVURJKSA-N 275.436 4.836 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(SC)cc1 2284097732 BEAODGBFGDSQNK-QGZVFWFLSA-N 287.472 4.665 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC[C@@H](CC)C1 2284110321 CNFWYGJBULQZLH-FGTMMUONSA-N 275.480 4.787 30 10 CJEE CCCCCCCC[C@H](NC)c1nccc2occc12 2284286426 UBEXEWJFNBCEKY-HNNXBMFYSA-N 274.408 4.839 30 10 CJEE C=CCCCCCCCSCc1ccc(C(=O)O)cn1 2287077052 VEQKVTDZUWGCGG-UHFFFAOYSA-N 293.432 4.540 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C1(C)CC(C)(C)C1 2289679701 AQKBZCXGGOHLRS-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1CC2(CCCC2)C1 2289694599 WXRCUHIIRAXNJA-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@]1(C)CC=CCC1 2289882581 PVUUBRNPVDKRTK-OALUTQOASA-N 273.464 4.685 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)C1(CCC)CC1 2291259384 GIOGEFPRXHWABY-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C/C=C/CCC[C@H](CCCCCCCC)OCC(=O)O 2291360865 GTZSKDBPLPCDNF-MQDFFIGUSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCC(=O)O)c1ccsc1 2291756681 UTOVGZSCGJNEKQ-MRXNPFEDSA-N 296.432 4.591 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1CCC1(C)C 2292286262 URAHOEBKVQWKMZ-GJZGRUSLSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCCC1(OCCN)CC2(CCCCC2)C1 2292776080 IVYSJMTWTWYMBW-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1[C@H]2CCC[C@H]12 2292998718 ACWGYITZFAXFHH-ULQDDVLXSA-N 281.484 4.517 30 10 CJEE C=CC[C@@](C)(OCCCN)C1CCC(C(C)(C)C)CC1 2293066148 YKADLFOMEBIYEA-LEOMRAHMSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1cnc(C)s1 2293084410 BSLUWTVEVCRXCA-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cc(C)cc(F)c1 2293280580 MENPAQJMPUEMDQ-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=C(C(C)(C)C)[C@](C)(OCCN)[C@@H]1CCCC(C)(C)C1 2293362850 UFSKMWPMTSSBGM-QAPCUYQASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](CC1(CF)CCC1)OCCN 2293459993 OLWMIHVOWMNHMY-MRXNPFEDSA-N 287.463 4.611 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CC)[C@@H](C)CC 2295528764 HLFTVBLSMBQNEC-ZWKOTPCHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1cscc1C 2295673670 JXAFTILBKHDAGJ-SJORKVTESA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](CCC)CCO 2295676657 NBKBFQXBAIALRC-MSOLQXFVSA-N 285.516 4.904 30 10 CJEE CCCCCCCCC[C@](C)(C[C@@H]1C[C@@H]1C)OCCN 2295687398 UBWNSHJIPHPHQU-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@H](CO)C1 2295692398 WEMJEVPRJBGNAY-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCC[C@@H](CC)CSc1cc([N+](=O)[O-])ccc1C#N 2295697300 QIWSBVVLVLYSFX-GFCCVEGCSA-N 292.404 4.775 30 10 CJEE CCCCC#CC[C@@H](NCC)c1ccc2scnc2c1 2296153760 RSTNSGSKLOXFGJ-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE Cc1ncccc1C=CC(=O)c1cc(Cl)ccc1Cl 2297485179 QRVDUTHLYHBFOP-UHFFFAOYSA-N 292.165 4.593 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1c(Cl)cccc1Cl 2298816950 MLWJTDBFAUYSOV-SKDRFNHKSA-N 290.259 4.691 30 10 CJEE CSC1CC(CC2(C#N)CCCCCCC2)C1 2299367679 GDFBDFTXWKHKOU-UHFFFAOYSA-N 251.439 4.772 30 10 CJEE CCCC[C@@H](CC)OCC1(CS)CC(C)(C)C1 2304495939 DFCJCSAZJAHESI-CYBMUJFWSA-N 258.471 4.708 30 10 CJEE CC(C=CC(=O)c1cnn(C(C)C)c1C)=Cc1ccccc1 2311196456 KJDLWSLPYAKQOU-UHFFFAOYSA-N 294.398 4.615 30 10 CJEE C=CCCC[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2318630118 UCPOITFZMGTBLT-OAHLLOKOSA-N 286.246 5.000 30 10 CJEE CC(C)[C@@H](CS)COCCC1CCCCCCC1 2319464225 KNASFRVXQXQZRS-MRXNPFEDSA-N 272.498 4.956 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc2sccc12 2321103902 BJJLIRBOKFHICM-CVEARBPZSA-N 259.418 4.894 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2321864653 MBBOLYNTOXXALM-KCJUWKMLSA-N 291.794 4.956 30 10 CJEE CCC=CC[C@@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 2333311000 PMTMAFAPLCGXGK-CVEARBPZSA-N 292.419 4.529 30 10 CJEE C=CCCCCCC[C@@H](N)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2333327239 RGUFLEWMXXPSRX-YJNKXOJESA-N 271.395 4.522 30 10 CJEE C=CCC(CC=C)OC(=O)[C@H]1CC[C@H](CCC)CC1 2335108087 YQMBKGZPEZVPAT-SHTZXODSSA-N 264.409 4.657 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H](C)CC1CCC1 2335201220 SBVGUCDWRRZJSH-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccncc1C(C)C 2338613947 XSNZRMJICRPNQV-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Cl)cn1 2338745656 YNULGLSTTZAMIR-INIZCTEOSA-N 278.827 4.544 30 10 CJEE C#CC[C@@H](C)CN(C)CCCc1cc(Cl)cc(Cl)c1 2341128107 SJGKDBFFHFPQGF-CYBMUJFWSA-N 298.257 4.517 30 10 CJEE C=C(C)[C@H](NCC)[C@H](c1ccccc1)C1CCCC1 2342365678 RDZJCMWEOSSLJC-MSOLQXFVSA-N 257.421 4.515 30 10 CJEE C=CC[C@H](C)[C@@H](O)[C@H](c1ccccc1)C1CCCC1 2342370198 JPBAKDLMJDETMP-BMGDILEWSA-N 258.405 4.534 30 10 CJEE C=C1CC(NCCCC2CCCCC2)(C(F)(F)F)C1 2342854612 DKTDDBCXQORZME-UHFFFAOYSA-N 275.358 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC2(CC1)CC2)NCCC 2344348251 IUDMJCXIEFXPBV-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc2ccoc12 2344373455 AQAUBOWYUJILSE-DLBZAZTESA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC1(c2ccccc2)CC1 2344374229 GXTQIFJJZPGNMJ-QGZVFWFLSA-N 256.389 4.670 30 10 CJEE C=CC[C@H](C)C(=O)Cc1c(C)c(C)c(C)c(C)c1C 2344385379 PBKQBLNZZPZVBR-NSHDSACASA-N 258.405 4.553 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc2ccccc12 2344460977 WINGKWWHTDWCIS-ROUUACIJSA-N 254.373 4.866 30 10 CJEE C[C@@](C#N)(CCC1(C(F)(F)F)CC1)c1ccccc1 2344826989 UESSGLWVIBDDSC-ZDUSSCGKSA-N 267.294 4.591 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)C[C@@H](CS)CC(C)C)CC1 2353846203 SPFCAEZGGIICJH-IKGGRYGDSA-N 285.541 4.869 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1OC[C@@H]2CCC[C@H]12 2358466763 ZQMKRLRSQMXZCN-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@H](O)c1cnn(C2CCC2)c1 2360255784 NIMGGCJWMIEDDY-KRWDZBQOSA-N 278.440 4.782 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C#N)cc1 21017317 QZVCCOOHXNFOJP-QGTPRVQTSA-N 271.404 4.536 30 10 CJEE Cc1ccc([C@@H](C#N)c2cc(C)nc3ccccc23)cc1 26440618 PXEBYUDCJTZCCG-GOSISDBHSA-N 272.351 4.507 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C)c1ccccc1Cl 49509617 FAJUGKSNSHUPPH-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@H](CCOc1cccc(F)c1)c1ccccc1Cl 57685379 FUIWISXVQBBLKG-LBPRGKRZSA-N 289.737 4.555 30 10 CJEE C[C@](C#N)(CCOc1ccc(Cl)cc1)c1ccccc1 57687435 SUGSHUSXAIQXPB-QGZVFWFLSA-N 285.774 4.590 30 10 CJEE CCC(CC)c1nc2cc(C)c(C)cc2n1CCCC#N 57868981 VLFYHNMMTUIVQB-UHFFFAOYSA-N 283.419 4.861 30 10 CJEE CCCCCCn1c(CCS)nc2cc(CC)ccc21 74296665 JCOWGMMKPAVEGT-UHFFFAOYSA-N 290.476 4.651 30 10 CJEE Cc1ccc2c(c1)NC1(CCCCCC1)CN2CCCC#N 76931609 GCTBEQNXRKIUSN-UHFFFAOYSA-N 297.446 4.624 30 10 CJEE CCCc1nc(-c2ccccc2C)sc1CS 82426602 ZSACDTVOKZCCOI-UHFFFAOYSA-N 263.431 4.501 30 10 CJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(C)cc1 83193783 ZEQOZAJNYGAVER-MDZDMXLPSA-N 280.367 4.517 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)CC1 86881860 QAJWGUNWEHYHLM-RISCZKNCSA-N 262.784 4.592 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc([N+](=O)[O-])cc2)CC1 87959367 PPVPFTXUFUQBCJ-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE C=C(CC)C[C@@H](CSc1ccc(Cl)cc1)NCC 90245521 ZTOYNPXMQZWNDD-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE Fc1ccccc1SCC1(CS)CCCCC1 94588788 AOVHLMYZDXBVMN-UHFFFAOYSA-N 270.438 4.798 30 10 CJEE CCCCCCCCn1c(CO)nc2cc(C)c(C)cc21 102247249 JTJYWHYWNVILJS-UHFFFAOYSA-N 288.435 4.506 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(Cl)cc1F 104002884 UMYYUQNKHUNIHO-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCO[C@H](c1ccsc1)[C@H](C)N 105551366 XRHSOFXJJVNSPL-ZFWWWQNUSA-N 269.454 4.514 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCOC 109713263 QHSRMJXVXYLHRI-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCCCO[C@@H](c1ccc(C)s1)[C@@H](C)N 109988738 UQJMDJSMKFLOHL-GDBMZVCRSA-N 283.481 4.822 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CCc2ccccc2C1 115843226 YFUSNSYNHIIVMI-QZTJIDSGSA-N 260.421 4.513 30 10 CJEE CCCCCCC[C@@H](CSc1cccc(F)c1)NC 117398338 WPHBMLCBMXFXGL-HNNXBMFYSA-N 283.456 4.866 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](O)c2ccc(F)cc2O1 122047823 SMHHIKJCQBMOGV-RDJZCZTQSA-N 280.383 4.761 30 10 CJEE N#Cc1c(F)cccc1-c1cccc(C2CCC2)c1 122212436 PCGXHCVNBBJTDD-UHFFFAOYSA-N 251.304 4.632 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(SC)cc1 122413200 QAFWVHFTKVWLET-MRXNPFEDSA-N 280.481 4.664 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccc(F)cn1 122512469 AAKQZZZXMIKLNB-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CCCCCCCO[C@@H]1CCC(C)(C)[C@H]1NCCC 123875842 CTKVBNSISTXYQR-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1CCCN(CC)C1 129250031 VATBUQFIONZPRD-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCNc1ncc(C)cc1[N+](=O)[O-] 129427389 LLSZTQDBHVGOAU-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CCCCc1ccc2oc(C#N)c(C(C)(C)C)c2c1 130346294 GLVCEUSLCMJKQJ-UHFFFAOYSA-N 255.361 4.945 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(Cl)ccc1Cl 131476028 GBLZISKGINVWSV-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CC(C)Cc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 135670095 YSEFOPSKKVWUTM-CQSZACIVSA-N 298.455 4.669 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cncs1 147484334 OBHOYXJPGHQBGH-CYBMUJFWSA-N 255.427 4.707 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(F)cc1C 147584307 ZIFTXFKGBXGYCA-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CC1(C)CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 149907112 YTHQYOLUNMCXAS-GFCCVEGCSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCNc1ccnc(NC)c1 156804407 AVVUPOSGNJYNFC-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1ccc(C(C)(C)C)cc1 158785410 KPYLHCRJWASGCW-LJQANCHMSA-N 273.464 4.719 30 10 CJEE CCCCCCCCNc1cc(N)cc(OCCC)c1 159127923 XJQHFOBGTJKFFL-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)ccc2F)cc1Cl 160680989 FHMNWOLKIULXLA-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#Cc1ccc(Cl)c(NCc2coc3ccccc23)c1 161109820 KDCBFXTYCGJGIZ-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE C[C@H]1CC[C@@](C#N)(Nc2ccccc2F)c2ccccc21 163866666 AUQSNRNJLBGWHP-UGSOOPFHSA-N 280.346 4.554 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@@H](C)O1 165093193 UADPHFCBMWVMIQ-ZBFHGGJFSA-N 254.414 4.654 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1cnccn1 166232773 VFRBBGQGZGQLAF-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cccc(F)c2Cl)C1 166803203 KIKZTNHJCYTWOZ-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCOc1cccc(/C=N/Nc2ccc(C)c(C)c2)c1 169876797 CWVIASTXICOMBY-XSFVSMFZSA-N 296.414 4.928 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(=C\C)CC 189885098 DUQCUYXRXDQLLH-AUWJEWJLSA-N 271.404 4.833 30 10 CJEE C=CCCCCCC(=O)c1cc(Br)cs1 232485007 OGMKOYYOZXXLLG-UHFFFAOYSA-N 287.222 4.830 30 10 CJEE Oc1ccccc1C=Nc1cc(-c2ccccc2)ccc1O 256365859 ZJZUATGZVRIMRY-UHFFFAOYSA-N 289.334 4.515 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC 300257950 REXAQWDVTJTKOH-BBWFWOEESA-N 251.458 4.785 30 10 CJEE N#CCCc1csc(-c2cc(Cl)cc(Cl)c2)n1 302496488 KFBSDIIMEHNLLV-UHFFFAOYSA-N 283.183 4.573 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCc2ccc(Cl)cc2)C1=O 308640350 DOYYDBVPLLOGGK-KRWDZBQOSA-N 289.806 4.562 30 10 CJEE CC[C@H]1CC[C@@H](C)N(CC2(CS)CCCCCC2)C1 311895150 WYUJRKZRJUEMOM-CVEARBPZSA-N 283.525 4.767 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CC1 312511341 LTHACEUUAVKYLK-CYBMUJFWSA-N 282.309 4.568 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CCCC2(F)F)CC1 317077030 CGNINJCLHXGIOT-GFCCVEGCSA-N 258.352 4.597 30 10 CJEE CCc1ccc(C[C@@]2(C=O)CCC[C@H](CC)C2)cc1 317623950 UTOMGYLJOPVWRD-FUHWJXTLSA-N 258.405 4.577 30 10 CJEE CC(C)Cc1ccc([C@]2(C)CC[C@](C)(CC#N)O2)cc1 380575519 UZSWZOQGSCUEHM-MSOLQXFVSA-N 271.404 4.583 30 10 CJEE C=CCS[C@@H]1C[C@@H](C)c2ccccc2[C@H]1NCCC 381668564 PORKNCIPUBWDSS-KBRIMQKVSA-N 275.461 4.522 30 10 CJEE CC[C@@H](C)[C@H](COCCCCCCCCCS)OC 384674466 DPJAONAMGPPQBB-CVEARBPZSA-N 290.513 4.725 30 10 CJEE N#CC1(CCC2=CCCCC2)Cc2ccccc2C1 384915727 DCQWBCLCEUSVHJ-UHFFFAOYSA-N 251.373 4.576 30 10 CJEE C=CC[C@H](CNCCC)Cc1ccc(Cl)cc1Cl 386716870 YXYRVTZCZBGXSL-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE C=CC[C@H](CCCCCCCCCC)CNCCOC 387010373 QUHKWWXCNJTTNG-GOSISDBHSA-N 283.500 4.946 30 10 CJEE CC(C)(C)C#CC[C@H](N)C1CCC(C(C)(C)C)CC1 388625862 GULZKDBKZIOZRM-GPANFISMSA-N 263.469 4.606 30 10 CJEE CCCCCCCC[C@H](NCC)C(C)(C)OC(C)C 394905606 JEUIPYMMLXAQMR-INIZCTEOSA-N 271.489 4.919 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@]1(C#N)CCCC[C@@H]1C 395061132 ZGQKAHOFOKDMQR-ILOCAZANSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCC[C@H](CC[C@@H]1CCOC1)NC 401330420 DCECVCSDSITVPY-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H](CC)CC(F)(F)F 402646602 QVIXZKKBZSOHQP-STQMWFEESA-N 265.363 4.690 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@@H](N)C1(C)C 404827373 GUZZTJFMOORHGG-AEFFLSMTSA-N 283.500 4.786 30 10 CJEE Cc1cc(OCCC(C)(C)C2CC2)c(C)c(C)c1C#N 406110741 GGMXUOALIHYWML-UHFFFAOYSA-N 271.404 4.689 30 10 CJEE C=CCCc1ccccc1NC(=O)c1occc1C(C)C 556489859 XARPYMLUHVZHPQ-UHFFFAOYSA-N 283.371 4.774 30 10 CJEE C=CCCCN(C)C(=O)Nc1ccc(CCCCC)cc1 605908968 BUZFKNBXXPBICU-UHFFFAOYSA-N 288.435 4.849 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc2sccc2s1 606814870 VCHNIEHDWRLFIR-UHFFFAOYSA-N 293.457 4.781 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2 686696257 YIRHQWGWYJIVAB-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE Fc1ccc(Cl)cc1N=C1NC2(CCCC2)CCS1 687325480 DFRLGQUNYZOOCR-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CCCC[C@H]2O)C1 688340476 YGXSZTSFQRSGAU-LSDHHAIUSA-N 277.452 4.674 30 10 CJEE N#Cc1cccc(Nc2ccc(SC(F)F)cc2)c1 690182153 QIBQGIAQBCFVNQ-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE CC[C@H](CC#N)Nc1ccc(OCc2ccccc2)cc1C 691156168 ZEHWMCCTBOYQJH-QGZVFWFLSA-N 294.398 4.678 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1Cl 692237881 AHIPYJCOKHHYKF-DOMZBBRYSA-N 281.802 4.704 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCC[C@H]1N 696269152 BNSRPMDZKYQHCA-KSZLIROESA-N 283.500 4.786 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1(C(F)F)CC1 697603061 KCXGMJFCKCIJSL-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@@H](O)c1ccsc1Br 698648867 UTMDYXWMAKEJFM-LLVKDONJSA-N 291.254 4.905 30 10 CJEE CCCCCCCC[C@H](NC)c1ccnc(OC)c1Cl 701590777 SPSMGEJRBLHOKX-AWEZNQCLSA-N 298.858 4.755 30 10 CJEE CCOC(C)(C)CC1(C#N)CCC(C(C)(C)C)CC1 702687005 MMYKWCVSBQKOHX-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE CC(C)CCCCOc1ccc(C(F)(F)F)cc1C#N 703561526 JZDAORQJGXOEQE-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CCCCCCCNCc1ccc(F)c(C(F)(F)F)c1 703721944 CWPJNWBGEHZGOV-UHFFFAOYSA-N 291.332 4.905 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ncccc1Cl 703875601 SPFOAGURZGSTOP-AWEZNQCLSA-N 283.843 4.779 30 10 CJEE C[C@H]1C[C@@H](N(C)c2ccc(C#N)cc2Cl)CC(C)(C)C1 709185596 UUUBHAUSHHIIKS-GXTWGEPZSA-N 290.838 4.863 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H]1C[C@H](C)CC(C)(C)C1 709186734 ZRYGUQSYYTZVCO-XJKSGUPXSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 710624444 WUTKZRAJRNLZHK-SOUVJXGZSA-N 269.860 4.570 30 10 CJEE CCCCCCCCCN[C@@H](C1CCC1)[C@@H]1CCOC1 711837619 BECLBISEBRBRHI-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE C=C(C)C[C@H](NC)c1c(Cl)cccc1C(F)(F)F 712606675 KGGHZJRDWPRNCT-NSHDSACASA-N 277.717 4.586 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CCCC(C)(C)O2)CC1 714383686 UIECJPCFZLXGBK-PQUAAJSLSA-N 280.452 4.756 30 10 CJEE CCCCCCCCNC1CC(OCc2ccccc2)C1 716293726 JOKSSJGECSSYRB-UHFFFAOYSA-N 289.463 4.684 30 10 CJEE CCCCCCCCCCNC[C@H]1C[C@H](C)O[C@H](C)C1 724238729 VTXHVRKDBOOOIS-BCDXTJNWSA-N 283.500 4.920 30 10 CJEE C=C1CCC(CC(=O)c2c(F)ccc(C)c2F)CC1 724589362 FLUYUZKNZBXSOV-UHFFFAOYSA-N 264.315 4.592 30 10 CJEE CC(=NNc1cccc2ncccc12)c1cccc(C)c1C 734298586 HTIFZKMCTIRFTO-UHFFFAOYSA-N 289.382 4.688 30 10 CJEE C=CCC[C@H](N[C@H]1CCCc2oc(C)nc21)c1ccccc1 925579253 KPBLLTHJPZWXJO-IRXDYDNUSA-N 296.414 4.658 30 10 CJEE C=CC[C@@H](NCc1cc2ccccc2s1)c1ccncc1 1177884138 AMQPUNDVEUNNFO-QGZVFWFLSA-N 294.423 4.703 30 10 CJEE C=CC[C@H](NC[C@@H]1CCC[C@@H](CC)C1)c1ccncc1 1177885284 OCPXEWDRUIQMKI-NUJGCVRESA-N 272.436 4.505 30 10 CJEE C=CCN(CCCc1c(Cl)cccc1Cl)C1CC1 1205311837 KJBQDGPQRZHYOG-UHFFFAOYSA-N 284.230 4.576 30 10 CJEE C=C1CCC(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 1264851029 AQPYLDOUDLUPGA-NJAFHUGGSA-N 291.479 4.557 30 10 CJEE C=CCC[C@H](CC)Nc1cc(OC)c(C(C)C)c(OC)c1 1308643109 UIEXTTBYRJLDPQ-AWEZNQCLSA-N 291.435 4.984 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 1351712171 SDIDKHBVYXFVIO-INIZCTEOSA-N 285.431 4.518 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(/CC)c1ccc(C)cc1 1357587038 MTIWXLZLMZUXSE-GDGUIRGDSA-N 285.431 4.649 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1459859247 GQTHRISNZJZVCJ-XOKHGSTOSA-N 277.839 4.983 30 10 CJEE C=CCCCCN(C)[C@@H](CCc1ccccc1)C(F)F 1460571237 BNTHTULBLJZKNN-INIZCTEOSA-N 281.390 4.541 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC(F)(F)c2ccc(Cl)cc2)C1 1461493262 FPJYPBXOIROUMH-DOMZBBRYSA-N 299.792 4.766 30 10 CJEE C=CC(C)(C)CCNC/C=C\c1cc(C)c(C)cc1C 1461658178 VOLPTOFPWHUABO-HJWRWDBZSA-N 271.448 4.817 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OC(C)C)c(OC)c1 1462044853 AINOLRDAPSEAIS-CQSZACIVSA-N 277.408 4.639 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 1463067129 RFWQBKWFIDWDFB-BHIYHBOVSA-N 299.458 4.821 30 10 CJEE C=C(C)c1cccc(NC(=O)c2occc2C(C)C)c1 1463256073 DVRHHKSDELACMR-UHFFFAOYSA-N 269.344 4.688 30 10 CJEE C=CCC[C@H](CC)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 1474725402 KITBNQOYXHXKJE-QEJZJMRPSA-N 279.374 4.545 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCC)c1ccc(Cl)cc1 1521753666 QOUXFECDYVGTPP-CYBMUJFWSA-N 279.811 4.685 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1531742553 VDNBTBDPBMCQMN-LNLFQRSKSA-N 285.431 4.590 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(SC)cc1 1538078201 RGTBAUWIGOPOKL-BLLLJJGKSA-N 278.417 4.615 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc(C(C)(C)C)cc2)C1 1560265552 VAJLRUNMIDFNTJ-PKOBYXMFSA-N 285.475 4.861 30 10 CJEE C=CCC1(NCc2ccc(N(CC)CC)cc2)CCCC1 1560533484 SLYMLNOALAQZLY-UHFFFAOYSA-N 286.463 4.511 30 10 CJEE C=C(C)[C@@H](CC(=O)Nc1cccc([C@@H](C)CC)c1)OCC 1618230810 UKSWMFNCDIRDKU-WMLDXEAASA-N 289.419 4.510 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H]1CCc2ccccc21 1644388503 DASGYFRLSHXANJ-LJQANCHMSA-N 281.374 4.501 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1c(C)cc(C)nc1C 1645493161 HBHGZAFQNQXCPF-UHFFFAOYSA-N 294.442 4.585 30 10 CJEE C=CCCC1(CNC2CCC(C(F)F)CC2)CCCC1 1652814163 HOBZHEWATNYWIZ-UHFFFAOYSA-N 285.422 4.927 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCCOc2c(F)cccc21 1657548922 AMSOUYPRBQPJSQ-RHSMWYFYSA-N 291.410 4.764 30 10 CJEE C=CCC[C@H](CCC)Nc1cnn(C)c1-c1ccccc1 1664670327 PSNPURDQQYFJBY-INIZCTEOSA-N 283.419 4.634 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc(CCCCC)cc1 1666644077 DXCLTYSSCKHXIZ-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 1674277267 CTUPMBDJZYWGDV-BRWVUGGUSA-N 294.483 4.637 30 10 CJEE C=CCC1(NC(=O)N[C@@H](CCC)C2CCCC2)CCCC1 1686750132 PNXOZMGPKCGJPR-INIZCTEOSA-N 292.467 4.533 30 10 CJEE N#CCc1cccc(-c2cc(Cl)cc(Cl)c2)c1F 1848377052 DFZUXXIZQAMCKP-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCC[C@@H](CC1CC2(C1)CC21CC1)NC 1877104546 OGZCLYNAOBURQA-PQUAAJSLSA-N 263.469 4.905 30 10 CJEE CCCCC[C@H](CC)N(C)C[C@@](C=O)(CC)C(C)C 1879156240 DOWNICYJCYRKIA-DLBZAZTESA-N 269.473 4.528 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(C(F)F)n1 1880765529 ZIIATKSXBNJBEP-OAHLLOKOSA-N 271.351 4.587 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C(C)C)CCC1 1883154782 FQIOYBQJPSEUMF-UHFFFAOYSA-N 271.448 4.891 30 10 CJEE C=C(CN1CCC[C@@H](CCC)CC1)c1ccccc1 1883334826 UHFFWOBFFSHWAY-QGZVFWFLSA-N 257.421 4.602 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@]12CC2(F)F 1883431614 GADNTVGHKXXOET-GJZGRUSLSA-N 273.411 4.714 30 10 CJEE CCC(C)(C)N(CCC#N)[C@H]1CCC12CCCCC2 1883666024 UJLSGMADKOYSHH-HNNXBMFYSA-N 262.441 4.504 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](C)COC 1884310983 KYDOZHUTUVSBEY-QGZVFWFLSA-N 271.489 4.874 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C1CCC(CC)CC1 1887451641 GDIKCLSXMDDARD-CPFNUKBASA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H]1CCCC(C)(C)[C@@H]1NCC 1888699956 BEZCHFXIGFTCLV-DLBZAZTESA-N 257.421 4.504 30 10 CJEE CCCCCC#CCN(Cc1ccccc1)CC1CCC1 1902964889 SRAXFLJQVPFKCP-UHFFFAOYSA-N 283.459 4.872 30 10 CJEE C=CCCCCCCC[C@H](COCc1ccccc1)NC 1906518270 RUNYCZNIHITTDK-LJQANCHMSA-N 289.463 4.708 30 10 CJEE CCCCCC(C)(C)CN=C1N[C@@H](CC)C[C@@H](C)S1 1912009113 LFYKHDHWMHFTEQ-KGLIPLIRSA-N 284.513 4.843 30 10 CJEE CCC[C@](O)(C(C)(C)C)[C@]1(C#N)CCC[C@H](CC)C1 1921119206 WRZIGCPRXORNJZ-UAGQMJEPSA-N 265.441 4.674 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)c1cscc1C 1921134517 RRRADOCBISXGQW-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCC)C(C)(CC)CC 1921141856 RAKODUWMNPKEMG-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@H](C)C1CC1)NCC 1921157899 WWXKBEFJCPPKNT-JQHSSLGASA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCN[C@H]1CCCC[C@@H]1N(C)C 1921751007 BXPZUFQMVZFZPF-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](NC)c1nc2cccnc2s1 1922185868 OXLCVCGTNZZUMX-ZDUSSCGKSA-N 291.464 4.702 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(C)ccc1Cl 1925498240 GRCFJVKQTUIXTQ-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE CCCCCCCCCCN[C@H](CO)CC1CCCC1 1926792891 UELATWYLJWDMHT-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CC(C)[C@@H](C)N(CC[C@H](C)CCS)Cc1ccccc1 1931999264 WWNJYFCFEMPGNA-DLBZAZTESA-N 293.520 4.879 30 10 CJEE Cc1c(Br)cccc1C[C@]1(C#N)CCC[C@H]1C 1940302652 GGWHUJFQPASEEB-ABAIWWIYSA-N 292.220 4.630 30 10 CJEE N#CC1(Cc2sccc2Cl)C[C@@H]2CC[C@H](C1)S2 1942143581 GRJXPTHDROOODQ-HWYHXSKPSA-N 283.849 4.512 30 10 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CCCCCCC[C@@H](NCC)c1cccc2nccnc12 139564100 IAFGVTGKVKSFLU-MRXNPFEDSA-N 285.435 4.641 30 10 CJEE CCCCCCC[C@H](NCCC)c1cc(CC)nn1CC 139604986 GEMHKLNUKZSRHG-KRWDZBQOSA-N 293.499 4.867 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H](C)COC 143413981 ZCVPMEOXHMHWGM-CVEARBPZSA-N 257.462 4.517 30 10 CJEE C=CCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 156123160 WHSYNAKILFICQV-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@@H](CNCCOC)C1CCCC1 160024208 GZEIAKKVNXULKQ-SFHVURJKSA-N 283.500 4.779 30 10 CJEE Cc1cc(C#N)cc(Sc2ccc(C(C)(C)C)cc2)n1 161644724 PIZDGZUNLKKJNT-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE CCCCCCCCC[C@@H](O)C1(OC)CCCCC1 162066978 RFFRWOVTEHSXEZ-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC(=O)Cc1ccn([C@@H](C)CC)n1 166112498 GQDCHUHQIRZPAZ-HNNXBMFYSA-N 278.440 4.716 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CCCCCC 218551799 ZABBLCWQAAYJIU-IAGOWNOFSA-N 271.489 4.786 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC 219703502 LVBWRPWNQXFPCV-OAGGEKHMSA-N 251.458 4.641 30 10 CJEE CCCCCCCCCCCCN1C[C@H]2[C@H](O)CC[C@H]2C1 228109803 OTCWMWYBDDMGML-IPMKNSEASA-N 295.511 4.610 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 228878981 NJNHINOCPLPGOA-SGMGOOAPSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](NC)[C@@H](C)C1 229481915 XKOJOLMKFOIWEW-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@@H](C)N(CCCC)C[C@@H]1CCCN1 232925564 AINNEDCHNSVDLD-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCc1nc(C)n(C(C)(C)C)c1N 232958932 URLOAZSDEQETNF-UHFFFAOYSA-N 279.472 4.822 30 10 CJEE CC#CCC[C@@H](NCCC)c1scc(C)c1Cl 233166119 ODEHFDCPGUKONH-GFCCVEGCSA-N 269.841 4.554 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(Cl)c1)NCC 233537859 AUDSKDFUNYIWFT-KRWDZBQOSA-N 279.855 4.997 30 10 CJEE C=CCCCCC[C@H](N)c1c(F)cccc1Cl 236302435 IEENUOLHPNPLHY-ZDUSSCGKSA-N 255.764 4.615 30 10 CJEE C=CCCCCC[C@@H](O)C1(c2ccccc2)CCCC1 236547409 AZCXMNCYGBYPEY-GOSISDBHSA-N 272.432 4.996 30 10 CJEE Cc1ccccc1N=C1c2ccccc2-c2ncccc21 254705409 YSUYPRDVWXEKPN-UHFFFAOYSA-N 270.335 4.540 30 10 CJEE Cc1cn(C(C)C)c2ccc(CC(C)(C)C#N)cc12 260089457 DPZMULNKBXATQY-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)C1 307921637 DVHMMQRSSUTQGI-DZGCQCFKSA-N 274.383 4.714 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)c(F)c1 310916546 ZGIADZCBRHJKEE-NSHDSACASA-N 269.791 4.732 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(OC(F)(F)F)c1 313021468 XSVQIASPLGCAQH-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE C#Cc1cccc(NCc2ccc(OCCCCC)cc2)c1 314141480 HNLNYYUNYVRZDH-UHFFFAOYSA-N 293.410 4.849 30 10 CJEE CCC1CCC(C=O)([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 316624319 BMHCTVDFLXAZDC-UWEUSHKOSA-N 250.426 4.844 30 10 CJEE CC(C)CNC[C@@H]1CC[C@H](C)C[C@H]1CC#CC(C)(C)C 379871728 DZCADFOPNWEPCH-KSZLIROESA-N 277.496 4.724 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1C[C@@H](OCC)C1(C)C 381025611 CRUVOYJXBHUZIM-HRCADAONSA-N 269.473 4.516 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(C(C)(C)C)cc1 384895848 VFNHOVKOWIUHRN-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE CC(C)C1CCC(c2nc(CCC#N)cs2)CC1 385472356 GWHQFXQAGQZSRQ-UHFFFAOYSA-N 262.422 4.529 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(C)c(Cl)c1 394027364 NIOCEZKFDQZATJ-INIZCTEOSA-N 277.839 4.739 30 10 CJEE CC1(CNc2ccc(C(C)(C)C#N)cc2)CCCCC1 394620492 XQONPZWXSCTYBF-UHFFFAOYSA-N 270.420 4.870 30 10 CJEE CC(C)(C)OC(=O)N=Cc1ccc(-c2ccccc2)cc1 395012179 LNPWPPHHHDIVGR-UHFFFAOYSA-N 281.355 4.708 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1cc(Cl)cc(Cl)c1F 692315685 WAWXHMDILAIQGD-MWLCHTKSSA-N 288.193 4.585 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@H](C2CCCC2)CS1 694636547 PWDQVCMARFMSKC-CJNGLKHVSA-N 294.508 4.597 30 10 CJEE CCC[C@@H](N[C@H](C)CC(C)(C)C#N)c1cccs1 695812235 RLXFWORUULUPOK-CHWSQXEVSA-N 264.438 4.507 30 10 CJEE C[C@@H]1C[C@@H](O[C@H](C)CC(C)(C)C#N)CC(C)(C)C1 695862668 FZYMYJZCXKQYSH-MGPQQGTHSA-N 251.414 4.546 30 10 CJEE C=CCCSCCN[C@@H](CC(C)C)c1ccccc1 696035608 WHHNJIPRIBCAOS-KRWDZBQOSA-N 277.477 4.673 30 10 CJEE C[C@H](N[C@H]1CCCC(C)(C)CC1)c1cccc(C#N)c1 697620007 FUADSPXLZAHSHV-YOEHRIQHSA-N 270.420 4.568 30 10 CJEE CCCCCCCN[C@@H]1CCCOc2c(C)cccc21 703715890 DMFVAFLUDUCRTG-QGZVFWFLSA-N 275.436 4.769 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 705954514 PVELWWLKKLSLGL-UWWQBHOKSA-N 270.420 4.739 30 10 CJEE Cc1ccc(N(C)[C@@H]2C[C@H](C)CC(C)(C)C2)c(C#N)c1 709181921 FQUCSOUOZNDYKV-GOEBONIOSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 710644423 YQIAJANJZPZHLP-QLFBSQMISA-N 271.876 4.960 30 10 CJEE CC1(C)CCN([C@@H]2CCCCC[C@@H]2C#N)CC(C)(C)C1 711058919 IFAXJHGNDBSNES-HZPDHXFCSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CCC[C@@H]1NCC2 711328278 DJZPMUQEBPHZKF-WMZOPIPTSA-N 279.468 4.619 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC(C)(C)CC[C@@H]1C 713112125 QIEPIBDSZSYXAB-YVSFHVDLSA-N 263.469 4.926 30 10 CJEE C=CCCC[C@@H](NCC)c1cscc1C(F)F 717185930 BOGIVSDWEAJCIJ-GFCCVEGCSA-N 259.365 4.693 30 10 CJEE C=CCCC(C)(C)NCc1[nH]c2ccccc2c1Cl 717917978 DJRNKAISWKVZGE-UHFFFAOYSA-N 276.811 4.656 30 10 CJEE CC1(C)CCCCC[C@H]1NC[C@@H](C#N)C1CCCCC1 718953324 CTPNNPUSMKZWQW-IAGOWNOFSA-N 276.468 4.655 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C1C[C@@H](C)C[C@H](C)C1 719378816 XWDOOAVQUIKDFT-SOUVJXGZSA-N 251.458 4.639 30 10 CJEE C[C@@H](OC[C@@H](CS)c1ccccc1)C1CCCCC1 719742551 KEVDIQVDROCLIS-PBHICJAKSA-N 278.461 4.685 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(CC)cc2)CC1 724549228 CJKRISKGHMSRBE-OAHLLOKOSA-N 257.421 4.646 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCC[C@@H](C)C2)CC1 724593066 XFCMOTAIUVPOEJ-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE CSCc1ccc([C@H](C#N)Nc2cccc(C)c2)cc1 724739495 TXNIPGCICWAGRF-KRWDZBQOSA-N 282.412 4.535 30 10 CJEE c1ccc([C@@H]2CCCCC(=NNc3ccccn3)C2)cc1 765555259 IZJTYYOVIOTZBP-MRXNPFEDSA-N 279.387 4.597 30 10 CJEE C=CCC[C@H](C(=O)O[C@H](C)c1ccco1)c1ccccc1 778697398 KYUWBBCAUCWQFO-ZBFHGGJFSA-N 284.355 4.634 30 10 CJEE C=CCCC(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 1130686759 JPRXFICFMYFYAD-LAGYLCCXSA-N 299.458 4.945 30 10 CJEE C=CCC(CC=C)C(=O)Oc1c(C)ccc2ccccc12 1132810260 GWOGJLACZQRADJ-UHFFFAOYSA-N 280.367 4.822 30 10 CJEE C=CCC1(C(=O)N2CCC[C@H](C/C=C/C)C2)CCCCC1 1169572170 FHELTPIRTQWMPY-RCFWFJCLSA-N 289.463 4.718 30 10 CJEE C=CC[C@@H]1N(CCCCC(C)(C)C#N)CCCC1(C)C 1169845151 SOGZYFYRJBGJDC-INIZCTEOSA-N 276.468 4.773 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ncc(C(C)(C)C)s1 1179142253 DEVQDCNTAOZAAJ-UONOGXRCSA-N 292.492 4.665 30 10 CJEE C=CCCC1(CNCc2ccc(C)cc2OC)CCCC1 1179142333 FGFSKYSIPVEACQ-UHFFFAOYSA-N 287.447 4.620 30 10 CJEE C=CCCCN(CC)Cc1cc(Cl)cc2cccnc12 1198457731 IJCHXNRYKRQFDH-UHFFFAOYSA-N 288.822 4.676 30 10 CJEE C=CCC[C@H](NC(=O)C1CCC(=C)CC1)c1ccccc1 1266420335 BKTUQMLOXNIGCP-SFHVURJKSA-N 283.415 4.557 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CCCC(C)(C)C1)c1ccccc1 1275117314 ZGVOKYAXDXPDHC-NVXWUHKLSA-N 286.415 4.858 30 10 CJEE C=CCN(CC=C)CCCCc1ccc(Cl)c(Cl)c1 1308647971 ZBVKUDNTHVZBMR-UHFFFAOYSA-N 298.257 4.990 30 10 CJEE C=CCCc1ccccc1N[C@H]1CC[C@H](C)SC1 1308713494 JTBKBRDYFAABSN-ZFWWWQNUSA-N 261.434 4.501 30 10 CJEE C=CCC[C@@H](CC)N[C@H](c1cccc(Cl)c1)C(F)F 1308939862 QZLBHESMAHHDSQ-ZIAGYGMSSA-N 287.781 4.981 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC(CCC)CC2)c1 1311298799 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CJEE CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1C[C@H]2F 2308590116 HOIICSZFCMJBLW-JONQDZQNSA-N 256.405 4.626 30 10 CJEE O=C(C=Cc1cc(Cl)cs1)c1ccc(F)cc1F 2312222698 HKMBERQUXHNOPQ-UHFFFAOYSA-N 284.714 4.576 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)[C@H](C)CC1CCC1 2321101434 JNMDZIBRCGEIQI-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1C[C@H]1CC)NCC 2321129825 DPPOMBYHMLICLD-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(F)c(Cl)c(F)c1 2321223394 GORWEOPFNLBIIU-UONOGXRCSA-N 274.738 4.644 30 10 CJEE CC(C)(C#N)CCOCc1cc(F)c(Cl)cc1Cl 2325254041 QAMDVAWRUFTOMJ-UHFFFAOYSA-N 290.165 4.589 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H](CC)O1 2332950823 MWKHGFGTNUNICU-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@@H](N)C(C)(C)CCC1(C)C 2335098628 MCQGTXOWRRJTRR-CABCVRRESA-N 281.509 4.783 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 2335105449 FYAMVCOIJGRJKB-CXAGYDPISA-N 264.409 4.513 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CC)C[C@@H](NCC)C1 2335188323 QBRXXSKUTQJONT-ZMSDIMECSA-N 281.509 4.797 30 10 CJEE CCCCCCCCCC[S@@](=N)(=O)CC[C@@H](C)OC 2336947307 RZYSJHNEFHHSQX-DNVCBOLYSA-N 291.501 4.599 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2c(C)cccc21 2337164139 IAMQAOMUZXVCDK-OLZOCXBDSA-N 272.417 4.551 30 10 CJEE COC1(C#CCC2CC(=C3CCC3)C2)CCCCC1 2338294313 KCMFVEUGQITJMT-UHFFFAOYSA-N 258.405 4.620 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@](C)(CC)C(F)F 2338739778 YVNMNISQWLZXCL-ZBFHGGJFSA-N 273.411 4.804 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc2c(s1)CCCCC2 2338746433 GNBFGMPKCIUCPW-QGZVFWFLSA-N 276.445 4.819 30 10 CJEE Cc1cc(O[C@H](C)[C@@H](C)C(C)C)c(C)c(C)c1C#N 2340204428 AZGNZEANPRFNEL-SWLSCSKDSA-N 259.393 4.543 30 10 CJEE Cc1c([C@H](O)[C@]2(C#N)CCC[C@H]2C)ccc(Cl)c1Cl 2340455365 XWEAALMBZVCMIX-NKZPBKNFSA-N 298.213 4.665 30 10 CJEE C=CCCCCCCC=C1[C@H]2CSC[C@H]1CC(N)C2 2341121420 MABZOROTWATUOF-YGFGXBMJSA-N 279.493 4.540 30 10 CJEE C[C@@H]1CC(=O)C=C(c2ccc(Cl)cc2C(F)(F)F)C1 2342317181 PNAMMMRUFNROSF-QMMMGPOBSA-N 288.696 4.741 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1[C@@H](C)C1(F)F)NCCC 2344336102 GLTQEQKPBKHZAE-APIJFGDWSA-N 273.411 4.638 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccccc1C1(C)CC1 2344385514 PYSRDQCIROIPCP-PBHICJAKSA-N 257.421 4.601 30 10 CJEE C=CC[C@H](C)S[C@](C)(C(=O)O)[C@@H]1CCCC(C)(C)C1 2352033801 HNMHRMMWKSQTFW-ZENOOKHLSA-N 284.465 4.744 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2360215294 TVIULNYWNKYGOK-HYVNUMGLSA-N 276.420 4.657 30 10 CJEE CCCN[C@@](C#N)(CCC)CSCC1CCC(C)CC1 2360509557 XKDPCBPCRYIPOO-OFLPRAFFSA-N 296.524 4.608 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2c(C)cc(C)cc2C)c1 20006758 VTLXXXROPHMCPT-INIZCTEOSA-N 263.384 4.766 30 10 CJEE C(#Cc1ccc(-c2ccccc2)s1)c1ccccc1 34318453 UZVLIXAXNIEAFQ-UHFFFAOYSA-N 260.361 4.815 30 10 CJEE Cc1cc(C)cc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1 36805616 VZCHCBGOEFMXQE-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE Cc1cc(C)c(C[C@](C)(C#N)c2ccccc2)c(C)c1 57760704 OAXQTQCYPGYIEN-LJQANCHMSA-N 263.384 4.636 30 10 CJEE CCCCCCCCCOc1cccc(CNCC)c1 59178820 ACLWRTPFZBAPNC-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCCCNc1ccccc1Cn1cccn1 59434624 JUBIESKJHDCKPP-UHFFFAOYSA-N 285.435 4.704 30 10 CJEE CC(C)c1ccc(CCCNc2ccc(C#N)cc2)cc1 76288081 NFRGABIRCKQUIK-UHFFFAOYSA-N 278.399 4.726 30 10 CJEE N#Cc1cc(-c2ccc3c(c2)CCCC3)oc1C(F)(F)F 77085980 WYYPRDYALONILE-UHFFFAOYSA-N 291.272 4.716 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86881864 QAJWGUNWEHYHLM-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCC1CCC(Oc2c(C)cc(C#N)cc2C)CC1 88154149 FGJYCONSLPHWID-UHFFFAOYSA-N 257.377 4.523 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)cc(Cl)c2)CCCCC1 91884109 AJYGWUZPCBLHKJ-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE CCN(CC1(CS)CCCCCC1)c1ccccc1F 94580272 YOTBYXLKLGNKEN-UHFFFAOYSA-N 295.467 4.922 30 10 CJEE Cc1cc(C)c(OC[C@@H](CS)c2ccccc2)c(C)c1 94585559 JFSJMQUREAURIM-KRWDZBQOSA-N 286.440 4.704 30 10 CJEE Cc1ccccc1SC[C@@H](CS)c1ccccc1 94589334 ZMJJIYNTNOPQQW-OAHLLOKOSA-N 274.454 4.801 30 10 CJEE Nc1cccc(C#Cc2c(Cl)cc(Cl)cc2Cl)c1 97809301 PCEVAFIATJHDAZ-UHFFFAOYSA-N 296.584 4.629 30 10 CJEE CCCCCCCCCCC[C@@H](COC)NCCC 103931837 ICQLKUBGLIAPMC-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=CC[C@H](Sc1ccccc1)[C@@]1(C)CCCCC1=O 104837419 TYLRCBBPGXAOQA-IRXDYDNUSA-N 274.429 4.873 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)cc(C(C)C)c1OC 107631705 CUMUOSRTGJXVME-LBPRGKRZSA-N 264.796 4.989 30 10 CJEE C#CC[C@@H](C)c1cc(Cl)cc(C(C)C)c1OCC 107632766 HWXMVDAPUINUFT-GFCCVEGCSA-N 264.796 4.989 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccccc1C 109907870 OJHINPLTAOXMDL-QGZVFWFLSA-N 261.453 4.876 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)c2cccc(C)c2)C1 110263400 JUPXTMQPGQVWEY-SOLBZPMBSA-N 270.420 4.540 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)ccc1F 113316393 LBFZAMVUOJXXCN-HNNXBMFYSA-N 255.352 4.715 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@]1(C)CC 114057409 UCLPUUVTHOHLBY-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@H]1CC(C)C 114071570 APEBSBBVENAFFL-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](C)N(C)Cc1ccc(C(=O)O)cc1 115589263 LJSHWMQAHRNDPQ-OAHLLOKOSA-N 291.435 4.566 30 10 CJEE CCCCCCCCC(=O)Nc1cccc2c1CCCN2 115855501 ISPNIUUHULQJBP-UHFFFAOYSA-N 288.435 4.734 30 10 CJEE CCCCCCCCCCCc1nnc([C@H](C)NC)s1 116084113 FVCAFIZWUVCCIR-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCCCCCCCOCCCc1cccc(N)c1 122789512 SATOGANEGXQJRB-UHFFFAOYSA-N 263.425 4.579 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(F)cc(F)c1 125797296 XCTMHENTVSQPSD-INIZCTEOSA-N 284.394 4.610 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)CCO[C@H]1C1CC1 131395731 VOKMUPFTOXBDHC-OALUTQOASA-N 295.511 4.920 30 10 CJEE Cc1ccc(C)c(Sc2ccc(C#N)c(C)c2)c1 133531073 YHXCJNQYDUXGMI-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCCCCCCC(=O)CCN(C)C 134770296 SQRLIDXYNMCZBN-UHFFFAOYSA-N 269.473 4.818 30 10 CJEE Cc1cc(Oc2ccc(C#N)c(C(F)(F)F)c2)ccc1F 135346980 BXTYVDNDGQQFCQ-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE Cc1ccc2c(c1)[C@H](Nc1cc(C#N)ccc1Cl)CC2 160835544 PAPHWJCABRHGPJ-MRXNPFEDSA-N 282.774 4.620 30 10 CJEE CCCCCCCCCCCC[C@@H](CCC)NN 167277092 FYXQUKIBABADRH-MRXNPFEDSA-N 256.478 4.929 30 10 CJEE C=C(Cl)CN[C@@H](CC)c1ccc(Cl)cc1Cl 167744007 SHGVPPITTWMZQV-LBPRGKRZSA-N 278.610 4.787 30 10 CJEE CCCCCCCC[C@H](O)[C@]1(N(C)C)CCC[C@@H](C)C1 217472438 FIRUVAXVMNJZEA-SQNIBIBYSA-N 283.500 4.608 30 10 CJEE C#CCCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 227926445 KAYMMXOBVWOMSK-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CC[C@@](C#N)(C[C@@H]2CCC3(CCCCC3)O2)C1 229466402 FLRAGRWEDYZPHH-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE C=CCCCCCNc1c(F)cccc1Br 232125507 PTCYTDYZNLSNCA-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE CCCCCCCC[C@H](NC)c1ccoc1Cl 232957655 CWCUPFMOIOTRCG-ZDUSSCGKSA-N 257.805 4.944 30 10 CJEE CCCC[C@@H](CC)CNCCCCC(C)(C)C#N 233011911 GOEBERLTRZYPMW-OAHLLOKOSA-N 252.446 4.512 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccccc1Cl 235511102 ZXOBUIZJLMGNOB-ZDUSSCGKSA-N 251.801 4.737 30 10 CJEE C=CCCCCCC(=O)Cc1ccc(Cl)cc1 236045007 POOYKPVRIBHCDZ-UHFFFAOYSA-N 250.769 4.588 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H](C)c1cccs1 250822927 LZMPPLOSCUAFNF-NVXWUHKLSA-N 296.524 4.819 30 10 CJEE CCCCCCCCCC[C@H](NN)C(C1CC1)C1CC1 302648634 VIBHQMKRQBGNNH-KRWDZBQOSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@]1(F)CCNC[C@@H]1C 311098577 BWXRJCRTOIYJBQ-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE C=C([C@H](NCC)c1cc2sccc2s1)C(F)(F)F 311220958 UVUOKUAOACFMJM-NSHDSACASA-N 291.363 4.732 30 10 CJEE CC(C)C1CCC(CNc2ccc(F)c(C#N)c2)CC1 312437344 MNYFJYGDUDEHFS-UHFFFAOYSA-N 274.383 4.572 30 10 CJEE C=C(CC)CN[C@@H](C)c1cc(Cl)ccc1Cl 313492291 NQVDJPDEHHGHIC-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C=CCC(C)(C)CNCc1ccc(-c2ccc(F)cc2)o1 314744593 LVHWAVBWXDLURL-UHFFFAOYSA-N 287.378 4.778 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CCCCC1(F)F 316789478 NQEQOGOEBNAHLE-MCIONIFRSA-N 258.352 4.597 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2sccc2Cl)C1 317327612 PTMSQQPTGBPELY-SMDDNHRTSA-N 270.825 4.730 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)[C@H](C)CC 319572438 HLADSTAEDPPCBL-OAGGEKHMSA-N 256.478 4.641 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2c([N+](=O)[O-])ccc(Cl)c2C)C1 380281003 BIQKJAAXZLBEIA-XHDPSFHLSA-N 292.766 4.528 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1[C@H]2COC[C@H]12 385741670 ZRNZOIDUURTZJK-ULQDDVLXSA-N 282.468 4.551 30 10 CJEE CC1CCC(CCNC[C@@H](C#N)C2CCCCC2)CC1 397317596 PTMQGHXOPXMZCJ-LEOMRAHMSA-N 276.468 4.512 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)C(C)(C)C 397493824 NVBDGZVWVIQWCM-JSGCOSHPSA-N 278.827 4.519 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(F)c1C 398718760 XYCROTFJJGUHKO-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)NN 403605670 HLDQKUBNRNQFSG-VSZNYVQBSA-N 280.500 4.785 30 10 CJEE C=CCCc1ccccc1NCc1csc(C2CC2)n1 409875540 MKXTWHSYRUSZDL-UHFFFAOYSA-N 284.428 4.751 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 451326471 DHRPXOFIGFRBAM-XYJFISCASA-N 297.442 4.913 30 10 CJEE C=CCC(CC=C)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 512062748 QVZHMSQGHWCROS-JKSUJKDBSA-N 280.371 4.577 30 10 CJEE C#CCCCCC[C@@H](Cc1c(F)cccc1Cl)NCC 686700025 VBXFTYRBQBTLJR-AWEZNQCLSA-N 295.829 4.583 30 10 CJEE CCCCCCCC[C@@H](Cc1ccsc1Cl)NN 687855318 GTANSVFNRFSBME-ZDUSSCGKSA-N 288.888 4.527 30 10 CJEE CCc1ccc(Nc2ccc(C#N)cc2)cc1Cl 691226423 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Cc1ccc(OC[C@@H](CS)C2CC2)c(C(C)(C)C)c1 701997915 JMNDFTRYQDOTOT-AWEZNQCLSA-N 278.461 4.627 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CCCCC[C@H]1C#N 703747410 BUUIMWPXQVMQAV-MDMSPXHWSA-N 276.468 4.509 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)c1cccc(F)c1 703995656 LBZMTIQMWJPBQN-INIZCTEOSA-N 263.400 4.859 30 10 CJEE CCCCCCCCCNC1CCC(OCC)CC1 707436827 ZASPTNOQGGCBQU-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 710639594 BZOKNBXAZHOYOT-BZUAXINKSA-N 271.876 4.960 30 10 CJEE C[C@@H](C[C@]1(C#N)CCCc2ccccc21)C(C)(C)C 711248372 LOCMDBRJGDYNHD-KSSFIOAISA-N 255.405 4.857 30 10 CJEE C=CC[C@H](C)[C@]1(CNCC(C)C)CCC[C@H](C)C1 715786499 GCFUESUNHYHXKI-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](CCOC1CCC1)NC 716981091 JAJYORXJOLTWPI-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NC 717037642 DFAILNGGABPWQF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1/N=C1/NC2(CCCC2)CCS1 717533696 NMHPLELWOSWJFZ-ZIAGYGMSSA-N 294.508 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278.245 4.685 30 10 CJEE C#CCCCCC(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 769638510 ACECUKXTAJRXAG-KRWDZBQOSA-N 299.458 4.643 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C/c1cccs1 800152879 JCSRRQMYPCDHDF-VAWYXSNFSA-N 283.396 4.519 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1ccncc1)c1ccccc1 883327207 UCPFTLNSVVWQDY-VQIMIIECSA-N 280.415 4.830 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1coc2ccc(Cl)cc12 1127518566 DVRNZKBETBZHGI-LLVKDONJSA-N 291.778 4.561 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(F)c2ccccc12 1129405330 DRNSPDPCOICXAR-ZIAGYGMSSA-N 299.389 4.758 30 10 CJEE C=C1CCC(C(=O)N2CCCC[C@H]2CCCCC)CC1 1131515854 DBDWULGRVKWZKI-QGZVFWFLSA-N 277.452 4.694 30 10 CJEE C#Cc1ccc(CN[C@@H](CC)CC2CCCCC2)cc1 1181880420 VSJZTUZZAOUHKV-IBGZPJMESA-N 269.432 4.507 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCCc2c(F)cccc21 1182108265 BSGCKNCYOHWOKF-KSSFIOAISA-N 275.411 4.928 30 10 CJEE C=CCC[C@H](NCc1ccc(F)cc1C)c1ccccc1 1192707887 DZMWZPGVJOXBCE-IBGZPJMESA-N 283.390 4.931 30 10 CJEE C=CCCc1ccccc1NCc1cc(F)cc(OCC)c1 1202135595 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C#C[C@H](CC(C)C)N[C@@H](C)c1cc(Cl)ccc1Cl 2219207262 VKXZSBOMMHQYIK-WCQYABFASA-N 284.230 4.692 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C[C@@H]1C1CC1 2223836727 DHBYGZJNEGSVGX-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@H](C)NCC(F)(F)C1CC1 2223848957 VHTKCABKRBFGMC-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@H](C)NCC1(F)CCCC1 2223852211 AVUSRVRPICUQMA-HNNXBMFYSA-N 257.437 4.997 30 10 CJEE CC(F)(F)c1csc(C2(C#N)CCCCCCC2)n1 2226433451 DRTRICNWHFAHMS-UHFFFAOYSA-N 284.375 4.760 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCC=CO1 2227269475 AGQPWXUZQDIXBW-IRXDYDNUSA-N 265.441 4.574 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCC(F)(F)C1 2227274797 XLAOHUQJEFFHTC-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(N)cc1Cl 2227275682 NNCXKFKFSUZEHO-MRXNPFEDSA-N 281.827 4.872 30 10 CJEE C=C1CCC(CN(C)CC2(C)CC3(CCC3)C2)CC1 2228210592 KDLICDAEGLEYIH-UHFFFAOYSA-N 261.453 4.635 30 10 CJEE C=C(c1ccccc1)[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2229842550 DRHBDBVZEFIVIP-AEFFLSMTSA-N 258.405 4.667 30 10 CJEE C[C@@H]1CC(=O)C=C(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 2230710760 BXOKXRNEZYWICO-DIECFANBSA-N 260.421 4.908 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCSC1 2230718590 WPVRTULYARJXOC-QBPKDAKJSA-N 280.477 4.695 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](NCC)C1(C)C 2231015147 IEPRGOZTIVQAAO-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@@H](CC)CC(F)(F)F 2231493734 VZILFLRBFSISDJ-OCCSQVGLSA-N 277.374 4.690 30 10 CJEE C=C(CC)COc1ccc(CN[C@H](C)CC)c(Cl)c1 2231581424 CWGCDHNUSIJLMO-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE C[C@H]1C[C@@](C#N)(Cc2ccc(C3CC3)cc2)CCS1 2231692223 KSJGYEWZUVOREF-SUMWQHHRSA-N 271.429 4.532 30 10 CJEE C/C=C/CCCC(=O)[C@](C)(O)CCCCCCCC 2231926844 ZKMPCSRLDPCWJN-QQOXCAACSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@H](C)NCC(C)(C)CCCO 2231929029 NNHKPTYHYZTUTM-INIZCTEOSA-N 271.489 4.514 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H](C)c2ccc(C)cc2)CC1 2232085970 NXLLDWMXCTVWIE-YJBOKZPZSA-N 257.421 4.562 30 10 CJEE CCCC#C[C@H](NCC)C(CC)(CC)c1ccccc1 2233798625 MDACFDVPTVSVMJ-SFHVURJKSA-N 271.448 4.526 30 10 CJEE C=CCCCCCCCCOC[C@H](NC)C1CCCC1 2234042249 FLLNVNYKUWZUST-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCC)c1sc(C)cc1C 2234196334 PXQUQCDWCFACMQ-HZPDHXFCSA-N 297.508 4.737 30 10 CJEE Cc1csc([C@H](O)[C@@]2(C#N)CCCCC23CCC3)c1C 2234233635 UFONNWPMNLJIBA-RDJZCZTQSA-N 289.444 4.653 30 10 CJEE C=CCCCCCCC[C@H](N)[C@](C)(O)c1sccc1C 2235521950 OJMVIBSOZQQBRF-RDJZCZTQSA-N 295.492 4.508 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)[C@H](C)CC(C)C 2235525646 CGSSBUBAZSQPTK-SJLPKXTDSA-N 282.468 4.905 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cc(C)cc(C)n1 2235532451 KSHISVXANHTACI-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCN(Cc1ccncc1)C1CC1 2235538083 GLWSJKIXEZQSCF-UHFFFAOYSA-N 272.436 4.573 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)c1cc(C)sc1C 2236639149 AVNMLHBDBRWHNL-DLBZAZTESA-N 297.508 4.737 30 10 CJEE CCCCCCC[C@H](NCCC)c1nc(C)ccc1F 2237965991 XOMOKFBPDMFAAC-INIZCTEOSA-N 280.431 4.930 30 10 CJEE C=CCCCCCCCNc1ccc2[nH]c(O)cc2c1 2238140240 JMJACXHPYXMGCO-UHFFFAOYSA-N 272.392 4.812 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](C(C)(C)C)C2)c1 2238151331 QMDUJLUGJWOZMD-CVEARBPZSA-N 270.420 4.884 30 10 CJEE C=C1CC(C[C@@H](NCC)C2(C)CC3(CC(F)(F)C3)C2)C1 2238793988 INLKAJWSANWFAU-CQSZACIVSA-N 283.406 4.536 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)(C#Cc2ccc(Cl)cc2)C1 2239497331 FOPGDXYRTNGKDD-WMZOPIPTSA-N 290.834 4.659 30 10 CJEE C=CCCCCOc1c(Cl)cccc1CNC1CCC1 2240243254 GGCVSJCNJVYVDO-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE CCCC1CCC(C=O)(CC(Cl)=CCl)CC1 2246227461 VJMYAOQQZGXLBH-UHFFFAOYSA-N 263.208 4.871 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccc(CC)s1 2250180907 GRSXDMGLXUFYKZ-HNNXBMFYSA-N 252.423 4.655 30 10 CJEE CC(C)CC[C@H](C)N(C)CCCCCCCS 2252649757 RAEAXIGUFFZHPI-HNNXBMFYSA-N 259.503 4.623 30 10 CJEE CC[C@H](C(F)(F)F)C1(C=O)CCCCCCC1 2253106285 LDDRNJWCAZHCAS-NSHDSACASA-N 250.304 4.505 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SCC2CC3(CCC3)C2)C1 2256501350 WDTADPQFMSLJHZ-BPLDGKMQSA-N 263.450 4.628 30 10 CJEE C=CCCCCCCCSC[C@H]1CCNC1(C)C 2259052611 ZXJDQULMRPBOLE-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1CCCC(F)(F)CC1 2259199300 QRNIFZIQFLGDPM-KBPBESRZSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@H](O)c1csc(C(F)(F)F)c1 2259207430 NKYFMCFQPXMPAU-NSHDSACASA-N 278.339 4.937 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@]1(C)CCCC1(F)F 2259213173 SOFKMWAQXWBRMD-UONOGXRCSA-N 259.384 4.536 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1SCC12CCC(CC1)C2 2261285206 WNSBPFKCCXLETN-PWUWZPNHSA-N 263.450 4.772 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCCCC12CC2)NN 2264895805 BKMNKYGGHWEFGD-HZPDHXFCSA-N 266.473 4.539 30 10 CJEE CCCN[C@@H](C)[C@H](CC=CC#CC(C)(C)C)C(C)C 2268741262 GDVDWRDJAKAGGG-DLBZAZTESA-N 263.469 4.643 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCCC[C@@H]1C[C@@H]1C 2269483132 VNXZPDNKUMXDEJ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCS[C@H](CCC)C(=O)OCC 2271498333 QBCBXQSMOPLMNV-OAHLLOKOSA-N 286.481 4.978 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@](C)(CC)OCC 2271791990 QPQAWEWNXFOUEE-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE CSCC1(C[C@@]2(C=O)CCC[C@@H](C)C2)CC(F)(F)C1 2273939262 FDDGYDUTZKAPCI-CHWSQXEVSA-N 290.419 4.550 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccccc1Cl 2273998539 IMGRWTGALNQCSW-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE Cc1cc2cc(Cl)ccc2n1CC#CC1CCCC1 2274165759 ATMYIFCERCYNTF-UHFFFAOYSA-N 271.791 4.797 30 10 CJEE C=CCC[C@@](C)(C[C@H](C)CC(C)(C)C)OCCCN 2276607379 CSUBYTOGQKKCAX-WBVHZDCISA-N 269.473 4.539 30 10 CJEE C=CC1(C[C@@H](O)c2sc(C(F)(F)F)cc2C)CCC1 2277682321 WTVSXHJPBXPPNB-SNVBAGLBSA-N 290.350 4.855 30 10 CJEE C#CC[C@H](N[C@@H](C)CCCCCCCCC)C1CC1 2278241658 WBVCTSPUEPJLJM-WMZOPIPTSA-N 263.469 4.907 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)[C@H](C)CC 2278246295 PMLRUAFGGTVIOM-IKGGRYGDSA-N 271.489 4.512 30 10 CJEE CCCC[C@H](CC)C[S@@](=O)CCCCC(C)(C)C#N 2278320581 LCIADQKBBMVUFB-KXBFYZLASA-N 285.497 4.672 30 10 CJEE CN(CC[C@@H]1CCCCC12CC2)CC1(CS)CCCC1 2279562951 WELIDFQNRQDONK-INIZCTEOSA-N 295.536 4.769 30 10 CJEE Cc1cccc2ccc([C@@]3(C#N)CCCC[C@@H]3C)nc12 2279721602 BENNLZTXZMELCV-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CC[C@H]1CC[C@H](CNc2cc(C)c(C#N)c(C)c2)CC1 2280583351 SQQDRSOGQCPDCC-WKILWMFISA-N 270.420 4.803 30 10 CJEE C#CCCN(CC[C@H]1CCCC12CC2)C1CCCCC1 2281314185 NELMSFLOYXPBPI-QGZVFWFLSA-N 273.464 4.615 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@]2(CS1)C[C@H]1CC[C@H]2C1 2283928928 LEPHJLKFZLLBRC-JKQORVJESA-N 294.508 4.597 30 10 CJEE C[C@@H]1CC[C@H](C(C)(C)CC=CC#CC(C)(C)C)[C@H](N)C1 2284082565 WTWYWGJIALJMNT-IXDOHACOSA-N 275.480 4.772 30 10 CJEE C#CC1(N2CCCCCC2)CCC(C(C)(C)CC)CC1 2285979430 CVZDCWKFGFFVLS-UHFFFAOYSA-N 275.480 4.861 30 10 CJEE C=CCCSC[C@@](C#N)(NC(C)C)C1CCCCCC1 2287095267 XOPFHEJEKDBZLR-QGZVFWFLSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@H](O)Cc1cccc(C(F)(F)F)c1 2287401406 SGXPKFQBUSROCE-HNNXBMFYSA-N 286.337 4.745 30 10 CJEE C=C(C)CCCCNCC1C[C@@H]2CCC[C@H](C1)C2(F)F 2287409440 UURHUETTZDNUPF-MQVJKMGUSA-N 285.422 4.784 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1csc(C(C)C)n1 2289716347 WUUSXIPORLAXHX-HNNXBMFYSA-N 290.476 4.501 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CC12CCCCC2 2289878696 BOYWBNSHZQTDNI-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE N[C@@]1(CC#CC2CCCC2)CCCCC12CCCCC2 2289905110 PKVCJLUCGPOSMT-LJQANCHMSA-N 273.464 4.792 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2cccc(CC#N)c2)C1 2290258190 DQYMNOCCIHCUHL-MRXNPFEDSA-N 270.420 4.769 30 10 CJEE CCCCCCCCC[C@H](CC(F)(F)F)OCC(=O)O 2290571940 TZGAPUCNWAFFBK-GFCCVEGCSA-N 298.345 4.549 30 10 CJEE C=C1CC(C[C@](CC)(CCCCC)OCCC(=O)O)C1 2291352123 SKLUPYRCIRMZAT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@](C)(CC1CCCC1)OCC(=O)O 2291449485 MBZPKWOCEDDAKA-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCC(=O)O)C(C)(C)C 2291816131 BWTNSWKDBOKZHR-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)OCCC(=O)O 2292341201 VEOCDCYIQAUZFY-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE C=C(C)CC[C@@H](OCCC(=O)O)c1ccc(C)cc1Cl 2292695017 AMRBGAUOPBQXJQ-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE CCCCCCC[C@@H](OCCN)C1=CCCCCCC1 2293248998 PYSVNOGZDRARKR-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCCCC[C@]1(OCCN)C[C@@H](C)CC[C@@H]1C(C)C 2293302009 VHKWRBCFIRFUPN-KSZLIROESA-N 281.484 4.539 30 10 CJEE Cc1c(C)c(C)c(C[C@]2(C=O)CC[C@H](C)C2)c(C)c1C 2294723643 SDYNQBOVQYZJOR-BUXKBTBVSA-N 272.432 4.777 30 10 CJEE CC(C)C[C@@H]1CCC[C@](N)(C#Cc2ccccc2Cl)C1 2295226055 FKZIYHSZFQZTLA-YJBOKZPZSA-N 289.850 4.625 30 10 CJEE C=CCCCCCCn1c(CN)cc2cc(C)ccc21 2295322452 OEBHALPLKDXOQL-UHFFFAOYSA-N 270.420 4.545 30 10 CJEE CCCCCC#CC[C@@H](NC)c1nc2ccccc2s1 2295385578 MFHAPKIUVABWLT-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnccc1CC 2295593137 ZAKCAFWAHIULBV-GOSISDBHSA-N 277.452 4.992 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1CCC[C@H]1F 2295602543 BZNCNJXIHNKIBA-UXLLHSPISA-N 286.431 4.585 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](N)CCN1[C@H](C)CC 2295679067 MEKIXKVYBSDRTG-FGTMMUONSA-N 282.516 4.717 30 10 CJEE C=C1C[C@@H]1C[C@](C)(CCCCCCCCC)OCCN 2295688805 JMSUBZNZHQGDOX-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Br)ccc1C 2304120549 TWTIVBKBMJWTKG-GJZGRUSLSA-N 297.236 4.783 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(Cl)c(C)c1Cl 2307612861 DIVGMAFZWLFDEP-LLVKDONJSA-N 272.219 4.919 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](CS)CC(C)C 2308054944 BPEHRMZVQOOCDG-HUUCEWRRSA-N 258.471 4.730 30 10 CJEE CCCCCCCCCCC[C@@H](N)C[C@@H]1C[C@@H]1F 2310654723 PLDJOVONXXCMNF-OAGGEKHMSA-N 257.437 4.983 30 10 CJEE C=C([C@H](CCC[C@@H]1C[C@@H]1C)NCCC)C(C)(C)C 2318944991 VMKLVNVYKHPNBR-IMJJTQAJSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1CC[C@@H]1C1CC1 2319582647 WZCZFGZRBGXORF-IXDOHACOSA-N 251.458 4.891 30 10 CJEE C=CCC(C)(C)[C@H](N)c1c(Cl)ccc(Cl)c1OC 2321113672 QJVULSISPXPBHS-CYBMUJFWSA-N 288.218 4.604 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)NCC 2321131952 VHRJYBUUPDVFSO-RRFJBIMHSA-N 251.458 4.639 30 10 CJEE CC1(C)CC(CS)(CO[C@@H]2CC(C)(C)C2(C)C)C1 2321722219 GMKDFCWCQKVIEP-GFCCVEGCSA-N 270.482 4.564 30 10 CJEE C=CC1(C[C@@H](C[C@@]23CCC[C@@H]2C3)NCCC)CCC1 2331368157 UKAVPVQDSPLGMU-RYRKJORJSA-N 261.453 4.681 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2CC[C@H]1C[C@@H]2N 2334436310 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CCC[C@@](C)(C#N)Cc1cccc(CC(F)(F)F)c1 2353118942 CWIMXZOITROVAN-CQSZACIVSA-N 269.310 4.664 30 10 CJEE CCC#CC[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2355404028 HKJFZMIXDIXORC-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H](O)[C@@H]1C[C@H]1C 2357651575 QPORYARRRJTHTJ-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@@H]1CCC[C@H]1N 2358321643 BYUQFCQYKRPARI-RCCFBDPRSA-N 281.484 4.562 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC2(CCC2)[C@@H]1NCCC 2360325426 XZSSQFRQXGMCHB-DLBZAZTESA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)Sc1ccc(CN[C@@H](C)CC)nc1 2360372866 AYIBUFZXEJRRCR-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE CCN(CC)c1ccc(/N=C/c2ccc(C)s2)cc1 517101 SCJBCOPLJSTEHQ-SFQUDFHCSA-N 272.417 4.653 30 10 CJEE N#Cc1ccccc1Nc1ccccc1SC(F)F 21015016 FXDNUBZMBOEEMO-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1 36859202 QZVCCOOHXNFOJP-ZTFGCOKTSA-N 271.404 4.536 30 10 CJEE N#Cc1ccccc1N[C@@H](c1cccs1)C1CCCC1 37203110 SOYISWZDIFIVMN-QGZVFWFLSA-N 282.412 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294.508 4.591 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCCC#N 385392845 SXWKGZARLLYRQR-OWCLPIDISA-N 251.414 4.548 30 10 CJEE C=C(C)CCNCc1ccc(-c2nc3ccccc3s2)o1 386650170 BLXFUDHYTNOOEA-UHFFFAOYSA-N 298.411 4.612 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccsc2Br)C1 389058770 AUMUUPHDHJDVHK-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)[C@@H](C)C(C)(C)C)cc1 399154445 INCNCWPNBFVBPJ-CZUORRHYSA-N 271.404 4.668 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1ccns1 400656141 QZXUBWDECRJSIU-CQSZACIVSA-N 283.485 4.568 30 10 CJEE Cc1ccc(C#N)c(Sc2nccc3ccccc23)c1 401687906 YMXGOSDYAMLWCR-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CC(F)(F)F)NN 402745090 SOWCWDMQGNZDRL-OLZOCXBDSA-N 282.394 4.548 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@@H]3C[C@H]3C2)c1C#N 403559152 UUWKYLXLSDCTJR-MGPQQGTHSA-N 286.444 4.518 30 10 CJEE CCCCCCCCC(=O)CCCNC(=O)OC(C)(C)C 405604205 IFUAJHIWDWKAFY-UHFFFAOYSA-N 299.455 4.611 30 10 CJEE C[C@@H](CC(C)(C)c1ccccc1)NCC1CCC(C#N)CC1 442874654 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278.823 4.855 30 10 CJEE CCCc1c([C@@]2(C)CC[C@H](C)C2(C)C)sc(C#N)c1N 710755695 ZAWNWCPYRBWWNU-APPDUMDISA-N 290.476 4.868 30 10 CJEE C=C(Cl)C[C@H](C[C@@H](CC)C(C)(C)C)NCCC 711125902 ZFDVKKRDAPZZED-ZIAGYGMSSA-N 259.865 4.960 30 10 CJEE C=C(Cl)C[C@H](N)c1ccc(Cl)cc1C(F)(F)F 712601416 SGGRTICJVWIXFD-JTQLQIEISA-N 284.108 4.501 30 10 CJEE Cc1cc(C)c([C@@H](O)C2(C#N)CCCCCCC2)s1 719472617 LXLROYKJHBODNZ-OAHLLOKOSA-N 277.433 4.653 30 10 CJEE CC(C)C1CCC(C=O)(CC2CC(C)(C)C2)CC1 723592651 LBKAVOSQBXVXCT-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 724557467 FCCUVGXZDGOPQN-MHORFTMASA-N 261.453 4.537 30 10 CJEE N#CCc1csc2cc(OC(F)F)cc(C(F)F)c12 725293618 IUQQGCSKSBOBKT-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE Fc1cc(F)cc(C#Cc2cccc(Cl)c2Cl)c1 725408409 LBAUMRUHYQNMCZ-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE CCCOc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1 781423798 YPWJRSBAOWTGJD-CYBMUJFWSA-N 298.361 4.659 30 10 CJEE C=CCCC[C@@H](N[C@H](C)c1cc(C)on1)c1ccccc1 883327286 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273.420 4.633 30 10 CJEE CCC1CCC(C#N)(CC23CC(C(C)C)(CO2)C3)CC1 2238244481 LINNRTXACUSAER-UHFFFAOYSA-N 275.436 4.692 30 10 CJEE CC1(C(=O)C#Cc2ccc(Cl)cc2)CCC2(CC2)CC1 2239480134 BLPIRCJFHZSIHX-UHFFFAOYSA-N 286.802 4.621 30 10 CJEE CCCCCCCCCCCOCc1cc(N)ccn1 2239488074 WTHVCRBMDGXAOT-UHFFFAOYSA-N 278.440 4.711 30 10 CJEE CCCCCCCCCCOC[C@H](NC)[C@H]1CC1(C)C 2239489784 LMKFWVZCKYNHMV-SJORKVTESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCCCOc1ccncc1N 2239557126 QRBPPJOXEOEGMJ-UHFFFAOYSA-N 278.440 4.964 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)C[C@H](C)C(C)C 2240575507 VDDHNNVXJHPZEE-ZWKOTPCHSA-N 284.532 4.678 30 10 CJEE CCC=CCCO[C@@](C)(CCCCCCCC)C(=O)O 2240618641 VQHCMUUFCCYTBJ-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@H](C)NCc1nccc(C)c1F 2240638540 VKMRIHSVCATFMV-HNNXBMFYSA-N 280.431 4.758 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](C)N1CCCCC1 2240642579 OONAFAUYYPZSQF-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1cccc2ccoc12 2241200913 ZZUYNFJIKGRPQP-AWEZNQCLSA-N 271.404 4.556 30 10 CJEE C=CCCSC[C@@H](NC)c1ccc(Cl)cc1Cl 2250063600 WIHMADVLYDOZKH-CYBMUJFWSA-N 290.259 4.563 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)cc1F 2250164716 XDXRQADNLDMTST-CQSZACIVSA-N 255.764 4.615 30 10 CJEE C=C1CC([C@H](NCCC)c2sc(C)c(C)c2C)C1 2254100504 QZRGYVLOVXRILV-HNNXBMFYSA-N 263.450 4.680 30 10 CJEE Cc1cc(NCc2cc(Cl)cs2)cc(C)c1C#N 2254634681 PXVMHMRJBLLFFK-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC12CC2 2257840616 JYAVIGMEAUEANU-YWPYICTPSA-N 253.336 4.532 30 10 CJEE C=CCCCCCCCS[C@H](CN)c1ccco1 2259008189 JHILGFCWVOPZOC-OAHLLOKOSA-N 267.438 4.539 30 10 CJEE FC(F)(F)C1CC(CSC[C@H](CS)CC2CC2)C1 2259114212 YLPJJLKBIXEIKA-CXQJBGSLSA-N 298.439 4.654 30 10 CJEE C=C(C)CCCC[C@]1(N)CCc2cc(Cl)ccc21 2259199401 IDLCNNRKBXXYFS-INIZCTEOSA-N 263.812 4.577 30 10 CJEE CCCCCCC[S@@](=N)(=O)CC12CCC(CC1)C2 2261291548 YMQQHKAMCVCZAY-JTTJXQCZSA-N 271.470 4.584 30 10 CJEE CCCCCCCCCC[C@@H](CC)OCCCN 2262683806 SJBGRKOIQAVQJS-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C=CCCCCCC(=O)c1nc(C(C)(F)F)cs1 2264032036 QMOUVWDUPGSDRB-UHFFFAOYSA-N 273.348 4.574 30 10 CJEE C=CC1(CN(C)CC[C@H]2CCCCC23CC3)CCC1 2264931264 MRPBTGQYQFPEJN-MRXNPFEDSA-N 261.453 4.635 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C)c(C#N)c(C)c2)C1 2265880522 YKQLTHSJZLRHPY-HUUCEWRRSA-N 256.393 4.556 30 10 CJEE O=C(C[C@@H]1CC(F)(F)C12CCC2)C1=CCCCCC1 2266343765 VCKMCADVIJHLJN-CYBMUJFWSA-N 268.347 4.662 30 10 CJEE CC(C)(C)C(Nc1c(F)cccc1C#N)C(C)(C)C 2266830714 OIHZYHMZASSYAU-UHFFFAOYSA-N 262.372 4.570 30 10 CJEE N#C[C@H](CSC[C@H]1CCCCC1(F)F)C1CCCC1 2267903722 IFQXWHAJWQCGEK-ZIAGYGMSSA-N 287.419 4.875 30 10 CJEE Cc1ccc(Cl)c(CNc2ccc(Cl)cc2C#N)c1 2268123059 GAXLHEVSIYVGRF-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)(C)C#CC=CCC[C@H](N)c1ccc(Cl)cc1 2268725299 GBJFKIRMSKBCSW-INIZCTEOSA-N 275.823 4.726 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1(C)CCCCCC1 2268740775 DSGBUWDVVYVMLI-UHFFFAOYSA-N 260.421 4.912 30 10 CJEE CCCCCCCCCC(=O)C1(O)CCC=CCC1 2270225514 SPGYGABTKSVODA-UHFFFAOYSA-N 266.425 4.558 30 10 CJEE C=C(C)CCCC[C@@H](N)C1(OCC)CCCCCC1 2271786677 ZVZIVFFITJRUNC-MRXNPFEDSA-N 267.457 4.580 30 10 CJEE CC1(C)CCC([C@](C)(O)C#CC2CCCCC2)CC1 2274071025 JGRHZCHUNRABNM-GOSISDBHSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@@H](C)C1 2276606587 WLSBWEMKUXZHCA-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)C1CC1)OCCCN 2277028607 MGRDWERVDOHNCL-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccc(C(F)(F)F)s1 2277674044 CBLTYRORIXICJG-LLVKDONJSA-N 289.366 4.611 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(OCF)c1 2278334952 GUDNDLINUOMYKD-INIZCTEOSA-N 268.372 4.776 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOc1c(C#N)oc2ccccc12 2280426488 PDWUJALYYDYGOM-OLZOCXBDSA-N 269.344 4.510 30 10 CJEE O=C[C@@]1(C[C@@H]2CC(F)(F)C23CCC3)CCCC(F)(F)C1 2280812473 OFYZXSOFZDYEDY-VXGBXAGGSA-N 292.316 4.597 30 10 CJEE C=CCCCCCCCCC[C@H](O)C1(OC)CC(C)C1 2281081357 CZCWYNIGPOFVKR-ADKAHSJRSA-N 282.468 4.859 30 10 CJEE CNC[C@@]1(CC=CC#CC(C)(C)C)CCCCC12CC2 2284078974 DHTSUUHIQSNKNR-LJQANCHMSA-N 273.464 4.542 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1(CC)CCCC1 2284158946 MMCGNOVUKUIACZ-KRWDZBQOSA-N 275.480 4.931 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1COC2(CCC2)C1 2284827540 GECYOUMCWUPCBP-SJORKVTESA-N 281.484 4.804 30 10 CJEE CC1(C)[C@H]2CC[C@H](CNc3ccc(C#N)c(Cl)c3)[C@H]1C2 2286016352 OTOSDCWPSGXTSZ-VNHYZAJKSA-N 288.822 4.696 30 10 CJEE CCCN[C@@](C#N)(CSC1CC(C)(C)C1)C[C@@H](C)CC 2288948642 DCEMCMWIAOUEAS-YOEHRIQHSA-N 296.524 4.606 30 10 CJEE CCCCCCCCCC[C@]1(OCC(=O)O)CC[C@H]1C 2290577117 FYRIGQRMYGQHKI-WBVHZDCISA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@]1(C)C[C@H]1C 2290633494 WXVOJTZYWBNBPB-HLLBOEOZSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCC[C@@H]1CCC 2291457069 RZLSGSGDBAZJON-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCC(C)(C)C[C@H]1C 2292884258 DYBNEYQUGLKMQR-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(CC)C[C@](C)(OCCCN)c1cc(C)cc(Cl)c1 2293047691 BHRAPQCMHJKULU-KRWDZBQOSA-N 295.854 4.585 30 10 CJEE CCCCCCCCC[C@@](CC)(OCCN)C(F)(F)F 2293458796 NTXJUKYPQCZQDY-CQSZACIVSA-N 297.405 4.814 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@@H]1CC12CC2 2293461559 WLQZHIPNBOAHSF-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)[C@@H](C)CC(C)C 2294017849 IKKVXIDIDAFMNE-ROUUACIJSA-N 283.500 4.929 30 10 CJEE C=C([C@H](N)[C@@](C)(O)CCCCCCCCC)[Si](C)(C)C 2295682888 VGXFLFYDVKRTRG-IRXDYDNUSA-N 299.575 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Br)cc1C 2304121891 GLRLGZSLUYLEOL-LSDHHAIUSA-N 297.236 4.783 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]1F 2309816406 VUEZRXJPFKUBED-OWCLPIDISA-N 257.437 4.853 30 10 CJEE CCCC(CS)(CCC)COC[C@H]1CC[C@@H]2C[C@H]12 2310903506 IGPORZJBUSXRMX-KFWWJZLASA-N 270.482 4.566 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]1C1CCC1 2311515192 CLWYIZCLLUYDOG-YESZJQIVSA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)S[C@H](CN)c1cccc(Cl)c1 2313528761 HMUJYXHECSZNIH-OAHLLOKOSA-N 281.852 4.594 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1C[C@H](C)N 2313873761 AVYOSIAMFGMPCH-NWDGAFQWSA-N 283.868 4.595 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cscc1F 2321095322 HWFOGIGISMTISM-HUUCEWRRSA-N 269.429 4.920 30 10 CJEE C=CC[C@@H](C)[C@H](CCCCCC1CC1)NCCC 2321108207 NOUCOZIINWBNGX-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(F)cc1Cl 2321148367 OPJKVHNRKDAAEW-HUUCEWRRSA-N 269.791 4.732 30 10 CJEE C=CC1(C[C@@H](N)c2cc(F)c(Cl)cc2Cl)CCC1 2325229965 LTGAHQPJQYGTER-CYBMUJFWSA-N 288.193 4.879 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCO[C@@H]1C)NCC 2330828490 ICUKCJJMAORGIZ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CN(CCCCCCCCCS)[C@H]1C[C@@H]2CCC[C@@H]21 2331813968 REGFKNTWRXHOLE-ULQDDVLXSA-N 283.525 4.767 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2 2334756226 LTKDWQUUVROTIN-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc(CCC)cc1 2335206800 NXJRNNSHCOTNCB-RHSMWYFYSA-N 277.477 4.597 30 10 CJEE C=CC[C@H](C)Sc1ccc2c(c1)CCC[C@@H]2NCC 2335245186 MFVPTIFFLKLMBA-GUYCJALGSA-N 275.461 4.730 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1cc(C)sc1C 2338396011 XUQIIDQIEDWHBY-MRXNPFEDSA-N 289.469 4.519 30 10 CJEE CC(=CC[C@@]1(C=O)CCCOCC1)CCCC(C)C 2338469664 KNCLBEYSYMPLIR-KRWDZBQOSA-N 266.425 4.535 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](NCC)CC2(CCC2)C1 2338659485 GWIHHYIQOQXOKW-SJORKVTESA-N 261.453 4.703 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C=O)CCCC[C@@H]2C)c1Cl 2339316389 LMVCCIJFIUAHAO-MEDUHNTESA-N 282.786 4.725 30 10 CJEE CCCCCC#CCn1c(C)cc2cc(F)ccc21 2339847096 CPYMTDMVGHEQDU-UHFFFAOYSA-N 257.352 4.673 30 10 CJEE C=CC1(C[C@H](NCC)c2cc(OC)c(Cl)s2)CCC1 2340339742 IHYZOWJDOXLTQN-NSHDSACASA-N 299.867 4.807 30 10 CJEE C[C@@H]1C[C@](C#N)(Cc2ccccc2C2CC2)CCS1 2341743904 CZOVHFGPHQLGQQ-DYVFJYSZSA-N 271.429 4.532 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cc2cccc(Cl)c2o1 2341886109 VFODZBLRWFOHMD-WFASDCNBSA-N 275.779 4.703 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc(C)cc1SC 2342317035 NWBLKIZSDCYOLB-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE C=CCCCCCCOCc1ccc(N)c(C)c1C 2342987370 KEILTXMTTWGNRG-UHFFFAOYSA-N 261.409 4.539 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cccc(C3CCC3)c2)C1 2343809945 XSWOVSDERXLNSV-KSSFIOAISA-N 253.389 4.827 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1=CCC(F)(F)CC1 2344375270 MNFRRVKDBOEIPP-HUUCEWRRSA-N 271.395 4.703 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2344396350 NGWYZXREYIWXCC-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCC[C@@H]1OC(C)C 2344813902 SSTXUTYMTWJYTP-SJORKVTESA-N 269.473 4.625 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CCC1(C(F)(F)F)CC1 2344914499 VILGEFHEYDYIMH-AWEZNQCLSA-N 276.342 4.895 30 10 CJEE CSc1cc(N[C@@H](C)[C@@H]2CCC2(C)C)ccc1C#N 2353828835 ZKIDDIDGYQDVPE-FZMZJTMJSA-N 274.433 4.517 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCC[C@@H]1C[C@H]1C)NC 2358323737 WAORFAWYTVBHEQ-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Sc1cnccc1CN[C@@H](C)CC 2360379871 ZCWZUVFLWOZNRZ-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1 6753436 XIIAPMMQGWDUET-QXMHVHEDSA-N 256.732 4.626 30 10 CJEE C[C@H](Nc1ccc2sccc2c1)c1cccc(C#N)c1 37282592 FLOGJSZYIBENGL-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCCc2ccccc21 37937318 XAMDFKHWHOFVPQ-GOSISDBHSA-N 296.801 4.897 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2cccc(F)c2)c1C 57688524 YRLCEYQINNSGCI-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE COc1ccc(Cl)cc1C[C@H](C#N)c1ccc(C)cc1 57762658 ZWFHOCCNBHVOAM-OAHLLOKOSA-N 285.774 4.507 30 10 CJEE CCCCCCCN[C@@H](CC)c1ccc(OC)cc1 59456669 YUYZMJPJNFRVTN-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCC[C@@H](N[C@H]1CCC[C@@H]1C#N)c1ccccc1 61892317 JVMYFLHDHRNHTE-KURKYZTESA-N 270.420 4.590 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C(C)C)CC2)C1 79342168 ACHNPRNGZUOVSY-INDMIFKZSA-N 290.495 4.853 30 10 CJEE CCc1ccc2nc(C(C)(C)C)cc(CS)c2c1 82465440 JPIVOMRJIUPSNO-UHFFFAOYSA-N 259.418 4.525 30 10 CJEE CCC(CC)(CC)Nc1cccc(Cl)c1C#N 86643784 FQWFHDXEKSPEJH-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CCC1CCC(C#N)(Cc2ccn([C@@H](C)CC)n2)CC1 87933668 PMRKRWCPXCQLKE-UQPPLGOBSA-N 273.424 4.507 30 10 CJEE CCCC(CS)(CCC)COCc1ccccc1F 94585283 XNKAKLXRADXTQB-UHFFFAOYSA-N 284.440 4.859 30 10 CJEE N#Cc1ccc(Sc2cc3ccccc3[nH]2)c(Cl)c1 94629301 LKFZDINTGFGGJZ-UHFFFAOYSA-N 284.771 4.844 30 10 CJEE CCCCCCCOc1ccccc1CNC(C)(C)C 100125726 POCLXURYCKLZQD-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE C/C(=N\c1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 103934323 JRYCNSKBISPZTA-DEDYPNTBSA-N 294.423 4.948 30 10 CJEE CCc1ccc([C@@H](CC)Nc2cc(C#N)ccc2C)cc1 109945308 UCHBZHKPBNTTSP-GOSISDBHSA-N 278.399 4.992 30 10 CJEE CCc1cccc(Nc2ccc(C#N)c(Cl)c2)c1 110253250 KAQWBUUQQNHJGU-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCCC[C@H](COCCC)NCCC 110518400 YMOKQZKYLZHEEW-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCNCC1(O)CCC(CC)CC1 115638595 WYJHKJSJPGQIOT-UHFFFAOYSA-N 283.500 4.658 30 10 CJEE CCCCCCC[C@H](NCC)C1Cc2ccccc2C1 115846441 XOGSPQDWKVOZFP-IBGZPJMESA-N 273.464 4.740 30 10 CJEE CCCCCCCCCC(=O)N[C@@H](C)c1ccccc1N 115854565 FKOXUDOAIKYTLF-HNNXBMFYSA-N 290.451 4.587 30 10 CJEE CCCCCCCCCCCc1nnc(CNCCC)o1 115861973 DXQKZNBETAYBEF-UHFFFAOYSA-N 295.471 4.643 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)N[C@H]1c1ccccc1 116764885 LGVBZJHXPKPUNB-ZWKOTPCHSA-N 273.420 4.614 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(C)ccc1C 122140275 ZVQVHCLSEKIMPI-GOSISDBHSA-N 276.468 4.949 30 10 CJEE CCCCCCCCC/C(C)=C/CCNCCOC 127728001 QUXMXCZJOXYCOS-GHRIWEEISA-N 269.473 4.700 30 10 CJEE CCCCCCCCCCNCC[C@@H](C)SC 130698623 ARVHFNIROBTFFT-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE Nc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)cc1 130754688 VVHYKBYQOVWWHN-XVNBXDOJSA-N 297.741 4.565 30 10 CJEE CSc1cccc(N2c3ccccc3CC[C@@H]2C)c1C#N 136605803 NRSGAEHCBUCFDZ-ZDUSSCGKSA-N 294.423 4.753 30 10 CJEE CSc1cccc(Nc2cccc(Cl)c2)c1C#N 136611442 WAXYUXIXFBMBOS-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCc1cccc(Nc2cccc(SC)c2C#N)c1 136614207 IMROBVHWWRVWRM-UHFFFAOYSA-N 268.385 4.586 30 10 CJEE C=CCOc1ccccc1CN[C@@H](C)C1CCCCCC1 149820787 VKBBUGOPXDLDHE-INIZCTEOSA-N 287.447 4.700 30 10 CJEE CCCCCCCC[C@H](O)c1cn(C)nc1C(C)(C)C 157865053 SRWVLDGMGPKDJA-HNNXBMFYSA-N 280.456 4.502 30 10 CJEE C=C[C@@](C)(CCCCCCCCC)CNCCOC 159006262 UWCSSQKZEFQXNW-KRWDZBQOSA-N 269.473 4.555 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccccc1Cl 162028848 FOCWBYDTEWWHOZ-OAHLLOKOSA-N 289.806 4.877 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 163957765 FFYBNTGFAARTRK-IAQYHMDHSA-N 296.336 4.958 30 10 CJEE CCCCCCC[C@@H]1CC(=O)c2cc(C)ccc2O1 165245113 QXGSDVREIGYGHU-CQSZACIVSA-N 260.377 4.689 30 10 CJEE CCCCCCCCOc1ccccc1/C=C\C(=O)O 200568886 XJAUEGJDEMDKRV-SEYXRHQNSA-N 276.376 4.524 30 10 CJEE CCc1ccc([C@H](C)Nc2c(C)cccc2C#N)cc1 221525365 FZTWUZBDICBVOS-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE CCSc1cccc(Nc2c(C)cccc2F)c1C#N 225035699 QZCAWDZJFLUSDL-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)C(C)(C)CC)C1 225981320 RKJNAHZKFFWBBW-OAGGEKHMSA-N 278.484 4.851 30 10 CJEE CCCCCCC[C@H](O)[C@]1(OCC)CCC[C@@H](C)C1 227672323 AFYNMNTVYJVCGA-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2c(s1)CCSC2 229738850 XMCUZUOOWZRQKI-CYBMUJFWSA-N 281.490 4.544 30 10 CJEE CCCCCCCCCCNCC(F)(F)C(F)F 230672506 QXRBKSAYUDGVPZ-UHFFFAOYSA-N 271.342 4.617 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cccc(OC)c1 233164418 PKAOTENRCQDPHH-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(F)cc1F 233545072 DLVVFDCNFJWMNJ-INIZCTEOSA-N 267.363 4.752 30 10 CJEE C[C@H]1CCC[C@@H](SCc2cc(F)ccc2C#N)C1 235678936 FWXRFUQKHZDSDB-XHDPSFHLSA-N 263.381 4.509 30 10 CJEE CC1=CC(=NN=C(c2ccccc2)c2ccccc2)CC1 252512743 VFWXMQCIYSZJHQ-UHFFFAOYSA-N 274.367 4.620 30 10 CJEE CC(C)CCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252893659 RGBNYLVUNJNRJY-XYJFISCASA-N 290.495 4.851 30 10 CJEE C[C@H]1CCN(CCCCCCCCCS)C[C@H]1C 252938768 ANHLIUKJCVYJJV-JKSUJKDBSA-N 271.514 4.625 30 10 CJEE CC#CCC[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 253001562 SJTLVIHMDMGSRX-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE N#CC[C@@H](c1cc(Cl)c(F)cc1Cl)C1CC1 260886371 UIINVKZUUDHGMG-MRVPVSSYSA-N 258.123 4.540 30 10 CJEE N#CC1(Cc2cc(Cl)ccc2Br)CCCC1 309428697 JEOWZFSIMXJOBT-UHFFFAOYSA-N 298.611 4.729 30 10 CJEE C=CCCCCCCNC[C@H](C)C1CCCCC1 310771173 CSMLGIOAJUQYFR-INIZCTEOSA-N 251.458 4.929 30 10 CJEE CC(C)(Cc1ccccc1)Nc1ccc(C#N)c(Cl)c1 312457168 SFJXDIDJIHXYCM-UHFFFAOYSA-N 284.790 4.645 30 10 CJEE N#CC1([C@@H](O)c2ccsc2Cl)CCCCCCC1 312691028 BXOGNFDYKDWWKY-LBPRGKRZSA-N 283.824 4.689 30 10 CJEE C[C@H](c1ccc(Br)cc1)C1(C=O)CCCCC1 316515462 DFZMKCSAUZUZSX-GFCCVEGCSA-N 295.220 4.702 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCC[C@@H](C)C1)C1CCCCC1 316615156 KEEMJMODLBBIDV-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(Cl)s2)C1 317408664 CZIQUSVBCBGRAB-SMDDNHRTSA-N 270.825 4.730 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(Cl)cc1F 385424042 HXOLHJZTZBJIGT-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=CCCCCCCNC1CCC(CSC)CC1 385702486 PVYDMHSCVJGWEN-UHFFFAOYSA-N 269.498 4.634 30 10 CJEE SC[C@H](COCCC1=CCCCC1)c1ccccc1 386271885 MIRXHDRGAYDQRD-KRWDZBQOSA-N 276.445 4.607 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C1CCC1 457759077 VHYLCLIWUVPPBJ-CQSZACIVSA-N 285.431 4.913 30 10 CJEE Cc1ccc(COc2c(Cl)cc(Cl)cc2C#N)cc1 675047462 QTRORUIRDRWFSI-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H](C)c1ccccc1 686690028 OEWRLDVTERGWCP-HKUYNNGSSA-N 271.448 4.742 30 10 CJEE CCc1ccc(CC)c(N=C2N[C@](C)(CC)CCS2)c1 689596102 MXJDBXBJAYOQHM-QGZVFWFLSA-N 290.476 4.694 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@H]1C[C@H]1OC 690066021 BAQISLFMKFPNCI-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C=CCC[C@H](NCCC)C(CC)(CC)C(F)(F)F 690221813 OEQDTIZWEQOODD-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C[C@H]1CCCCC[C@]1(O)C1(C#N)CCCCCCC1 691132226 JYMXXRPGGHMVMF-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](OC)C1CCC1 692799648 ZMLSXOLBPNTKEH-DLBZAZTESA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@](C)(C#N)N(CC)C(=O)OC(C)(C)C 698891337 NHPSMCBIZZRLIX-QGZVFWFLSA-N 296.455 4.886 30 10 CJEE C=C[C@](C)(CCCOC1CCCCC1)CNC(C)(C)C 699800874 SMNWRLLMEPVUGV-GOSISDBHSA-N 281.484 4.696 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Cl)s1 701877293 ZSYINVUTILZGLB-JTQLQIEISA-N 257.830 4.654 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC12CC2 707157401 VMXLWIHEMJKIMD-OAHLLOKOSA-N 259.418 4.709 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(C)s1 707518249 LIQVIBLPGADTEF-OAHLLOKOSA-N 253.455 4.981 30 10 CJEE CC(C)(C#N)CCCCN[C@@H](C1CCCC1)C1CCC1 711830472 DYOAJDYCDVQEJI-KRWDZBQOSA-N 276.468 4.655 30 10 CJEE CC(C)(C)[C@@H](/N=C1/NC2(CCCCCC2)CS1)C1CC1 713248365 PFOZQCARIKNBBN-AWEZNQCLSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccc(-c2ccccc2)cc1 715027226 AJZFGFCKGHEDDN-KDOFPFPSSA-N 252.357 4.599 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 715801163 WZXLBTTWHGEBOA-NHYWBVRUSA-N 286.246 4.726 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)[C@@]2(C)CC2(C)C)CC1 717117018 ZUDGEQGJPXKWSA-VLNFIEOWSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCC(=O)C[C@H](N)C1CCCCC1 718761032 YZFAPUFQUKFZFF-SFHVURJKSA-N 281.484 4.994 30 10 CJEE C[C@H](COCc1ccccc1)C[C@](C)(C#N)c1ccccc1 719637863 SJMFQWWYCVAFSR-FXAWDEMLSA-N 293.410 4.711 30 10 CJEE C[C@@H](OCC1(CS)CCCCC1)C1CCCCC1 719744705 YMKVZGAXMDBSFT-CQSZACIVSA-N 270.482 4.852 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H](COC)C(C)C 721729051 UHTTULIILCOTQZ-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE C=C1CCC(C[C@H](CCC(F)(F)F)NCCC)CC1 724545492 RCQMZHRCUFFPER-AWEZNQCLSA-N 277.374 4.834 30 10 CJEE N#Cc1c(C(F)F)ccc2scc(OC(F)(F)F)c12 725291393 MQHPEUJEEZPMKC-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE CCCCCCCCC(=O)c1csc(COC)c1 829426336 GOYFDRONJZOARM-UHFFFAOYSA-N 268.422 4.828 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(Cl)c2occc12 1131589207 OYKLYXXCFIXGIC-UHFFFAOYSA-N 291.778 4.561 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](SC)c2ccccc2)c1 1134626887 SLTQDWFMRHKMEZ-KRWDZBQOSA-N 297.423 4.763 30 10 CJEE C=CCC[C@@H](NCc1cccs1)c1ccccc1 1178249493 OOTTYXZTBQTEQI-MRXNPFEDSA-N 257.402 4.545 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(-c2cccnc2)c1 1203573368 ZJTLBKVMRLNWHM-UHFFFAOYSA-N 294.442 4.831 30 10 CJEE C=CCC[C@H](C)Nc1ccccc1O[C@@H](C)C(F)(F)F 1206142686 MOOMACQCIGIJJQ-RYUDHWBXSA-N 287.325 4.783 30 10 CJEE C=C(C)CCNC(=O)Nc1cccc(C2CCCCC2)c1 1311039953 DGSBLWAWJRKKQZ-UHFFFAOYSA-N 286.419 4.822 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccccc1SC(F)F 1350029513 FWKCWHJGBRRCTA-SNVBAGLBSA-N 285.359 4.542 30 10 CJEE C=CCN(C(=O)[C@H](F)CC1CCCCC1)c1ccccc1 1355009799 SCAQPGNOAVWTCN-QGZVFWFLSA-N 289.394 4.514 30 10 CJEE Cc1ccc(CSCC2CCCCC2)cc1C#N 1458935189 SWCSGCHHMAWTOS-UHFFFAOYSA-N 259.418 4.680 30 10 CJEE CCCCCCCCN(C)[C@@H](C)c1cccc(O)c1 1459714934 CTFODIAIOLHYPT-HNNXBMFYSA-N 263.425 4.746 30 10 CJEE C=C(C)c1cccc(N[C@H](C)CCC(F)(F)F)c1 1462648628 SNRXVOCULRYEQB-LLVKDONJSA-N 257.299 4.863 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C)cc(C)c2)c1 1463258604 RGUBZGHTBWHSRW-UHFFFAOYSA-N 265.356 4.589 30 10 CJEE C#C[C@@H](NCC[C@@H](C)CCC=C(C)C)c1ccc(F)cc1 1474544307 NOTUYAYZDOCCSJ-QFBILLFUSA-N 287.422 4.862 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCCC1 1521703463 NRMMRWBSEIGCGY-IXDOHACOSA-N 289.463 4.598 30 10 CJEE C=CC1(CC(=O)N(C)[C@H]2CCCC[C@H]2CC)CCCCC1 1525585188 XHOHUVZWGSTHEI-SJORKVTESA-N 291.479 4.940 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc2ccn(CCC)c2c1 1530738346 AWIRZYNPNYUFOD-UHFFFAOYSA-N 284.403 4.592 30 10 CJEE C=CC(C)(C)CC(=O)OCc1ccc([C@H](C)CC)cc1 1536912148 HWQGOWILSOWKCU-CQSZACIVSA-N 274.404 4.846 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](CC)c1ccc(Cl)cc1 1559819788 CERAKDOFSAVFEY-IBGZPJMESA-N 297.829 4.927 30 10 CJEE C=CCOc1c(Cl)cc(Cl)c(Cl)c1Cl 1614015114 OZYDDEBMSBLOBJ-UHFFFAOYSA-N 271.958 4.865 30 10 CJEE C=CCCC1(CNC[C@H]2CCOc3ccccc32)CCCC1 1621003985 FHVUXMQZTISESP-QGZVFWFLSA-N 299.458 4.669 30 10 CJEE C=CCC1(CN[C@@H]2C[C@@H](OCCCC)C2(C)C)CCCC1 1621334199 GUDOUXYGCYYPCG-IAGOWNOFSA-N 293.495 4.696 30 10 CJEE C=C[C@H]1CCCCN1C(=O)NCCCCCCCCCC 1632947005 BPKUXSAAJQNWMJ-KRWDZBQOSA-N 294.483 4.877 30 10 CJEE C=C(C)CS[C@H](C)c1ccc(OC(F)(F)F)cc1 1643664731 KTNAJSMAVRKMEK-SNVBAGLBSA-N 276.323 4.956 30 10 CJEE C#C[C@H](Nc1nc2cccc(C)c2o1)c1ccc(Cl)cc1 1651918547 MFWGKKSJSSRZIU-AWEZNQCLSA-N 296.757 4.576 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(OCCC)c1 1658541507 MCPFURGJTLVCSG-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=C(C)CN(C)CCCCc1cccc(C(F)(F)F)c1 1660317144 YPPVFDHBZRITDI-UHFFFAOYSA-N 285.353 4.536 30 10 CJEE N#Cc1cc(Cl)cc(-c2ccc(C(F)(F)F)cc2)c1 1848368454 QKKDCHBVXZTESB-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE C=CCN(C(=O)CC1CCCCC1)C1CCC(C)CC1 1860008757 WIVSVVHWMMOWQE-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C#CCCN(CC1CCC(CC)CC1)CC(C)(C)C 1877943960 HBLLGWMFZYMVAW-UHFFFAOYSA-N 263.469 4.574 30 10 CJEE CCCC1CCC(C[C@]2(C#N)COC(C)(C)C2)CC1 1878369546 XGMWLVHGCWHVPH-DQPZFDDXSA-N 263.425 4.692 30 10 CJEE C#CC(C)(C)CNC1CCCCCCCCCCC1 1878661629 PXCQSGZOJSEKIS-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCOC1 1884311159 NYYVTUQARMCTLM-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE CCCCCCCCCCCCN1CC2(CC2)CO1 1884312005 BAOYBEWLMDXJBR-UHFFFAOYSA-N 267.457 4.935 30 10 CJEE CC(C)C1CCC(C=CB2OC(C)(C)C(C)(C)O2)CC1 1884315048 JBROEHRMQYRPKA-UHFFFAOYSA-N 278.245 4.636 30 10 CJEE CC#CCCCCC1(CNCC)CCC(C)(C)CC1 1885265419 QLHXEOOSGWPVEV-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CC#CCCCCC(N)(C1CCCC1)C1CCCC1 1885368863 VMKXFUMFOCWSBR-UHFFFAOYSA-N 261.453 4.648 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2C[C@@H]3CC[C@@H]3C2)CC1 1885969519 JVVIWLBLNDOYKJ-GGZUSFGKSA-N 262.437 4.988 30 10 CJEE C=CCCSCc1sc(Cl)cc1Br 1893001459 UHCPQCATBSOOGU-UHFFFAOYSA-N 297.670 4.973 30 10 CJEE CC=C(C)C(=O)c1cc(Cl)c(C)cc1Br 1910915416 NLERSSVXWHDFFU-UHFFFAOYSA-N 287.584 4.560 30 10 CJEE C=CC[C@@H](CC)NCc1cccc(SC(F)(F)F)c1 1912890300 AEVFYRQYGQIYSD-GFCCVEGCSA-N 289.366 4.743 30 10 CJEE CCCCCCCCCOC[C@@H](C)NCc1ccccc1 1914649465 NYGLDTKNHQUSQY-GOSISDBHSA-N 291.479 4.932 30 10 CJEE CCCCCCCCOC(C)(C)CNCc1ccccc1 1915379873 OMVISSKCRBTIIL-UHFFFAOYSA-N 291.479 4.932 30 10 CJEE N#C[C@@]1(Nc2ccccc2F)CCC2(CCCCC2)C1 1915880170 MVPUZKBCSPINMS-QGZVFWFLSA-N 272.367 4.634 30 10 CJEE C[C@@](O)(CC#CC1CCCCC1)c1c(F)cccc1Cl 1919915180 OCAOTMGICKIQSX-QGZVFWFLSA-N 294.797 4.660 30 10 CJEE C#CCCCCC[C@]1(CNCC)CCCC12CCC2 1921587617 XIYSTEKMGFIKJH-GOSISDBHSA-N 261.453 4.520 30 10 CJEE C=C([C@@H](O)CCCCCCCCC)[Si](C)(C)C 1923032994 ZDVQSHHNHNZTBT-HNNXBMFYSA-N 256.506 4.922 30 10 CJEE CCCCCCCCCCOC1CCC(C)(N)CC1 1924774888 TUDYTCZDDQCIGF-UHFFFAOYSA-N 269.473 4.804 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cnc(Cl)c(C)c2)C1 1925351382 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52859830 ZIKGWXWYLNKUBM-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)Cc1ccccc1Cl 57724244 TYIIQSLUHNSLJC-AWEZNQCLSA-N 285.774 4.507 30 10 CJEE CCCCCCCCCN(CCCN)c1cccc(C)c1 59094109 MOWTUAFGRHMPDX-UHFFFAOYSA-N 290.495 4.901 30 10 CJEE N#Cc1ccc(Oc2ccccc2Cl)c(Cl)c1 62793950 OUIHLXATBNZPDH-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCCCC 66117744 YZPQJFVEWGXDQQ-UHFFFAOYSA-N 274.404 4.704 30 10 CJEE Cc1ccc(Oc2nc3ccccc3cc2C#N)c(Cl)c1 71390632 UNUBQLQPDPDSPK-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2cccs2)c(Cl)c1 83193901 SNDKBEACINAFRP-SOFGYWHQSA-N 292.787 4.696 30 10 CJEE CCOc1ccccc1OCC[C@@]1(C#N)CCC[C@@H](C)C1 88415838 KWDUHWAUCIIWRP-QAPCUYQASA-N 287.403 4.574 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)CC[C@@H]1C 94581850 UUJWAQGMHNRBSB-CABCVRRESA-N 271.514 4.623 30 10 CJEE Cc1c(C#N)oc2c(Cl)cc(-c3ccccc3)cc12 104010230 BEIIGIYSHDAYJR-UHFFFAOYSA-N 267.715 4.933 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 109900744 IQJWKURVEILVHL-NFAWXSAZSA-N 259.418 4.565 30 10 CJEE CCCCCCCCOCc1ccc(N)cc1Cl 109988825 ZNYSTFURLPBPOQ-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE CCCCCCCOC[C@H](NCC)c1cc(C)ccc1C 110081355 GQDCESWESIEKEZ-IBGZPJMESA-N 291.479 4.941 30 10 CJEE Cc1cc(Cl)ccc1Oc1cc(Cl)ccc1C#N 110261199 LAGMIZVBPFDFMT-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE C[C@@H]1C[C@@H](Oc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 110261822 ZADNXKMZDCFWOY-BXUZGUMPSA-N 277.795 4.805 30 10 CJEE CCCCCCCCOc1ccc(C(N)=S)c(Cl)c1 110280414 OWNANLVAXKOBKS-UHFFFAOYSA-N 299.867 4.714 30 10 CJEE CCCCCCCCCN1CCC[C@@H](CNC(C)(C)C)C1 111762140 FQCFHGHBUGOTKS-SFHVURJKSA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@@H](O)Cc1c(F)cccc1Cl 111817682 GMNBOQFQMZSVLO-GFCCVEGCSA-N 272.791 4.743 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1cccc(F)c1 113022978 KQDZNJXJOCAGNQ-KRWDZBQOSA-N 279.443 4.954 30 10 CJEE CCCCCCCCC[C@]1(CN)CCc2ccccc21 115840345 ZWKGYLMIHMEEQP-LJQANCHMSA-N 273.464 4.970 30 10 CJEE CCCCCCCCCC[C@](C)(O)CNCC(C)C 116660524 CCQFAPMXQUVFFN-KRWDZBQOSA-N 271.489 4.514 30 10 CJEE CCCCCCCCCCCC[C@@H](C#N)C(=O)O 117645074 CKPCQIAKSJQNOD-AWEZNQCLSA-N 253.386 4.522 30 10 CJEE N#CCC[C@@H](C#N)COc1ccc(C2CCCCC2)cc1 119241458 WSBXMBVBBYPHBP-HNNXBMFYSA-N 282.387 4.557 30 10 CJEE N#C[C@]1(Cc2cccc(F)c2Cl)CCc2ccccc2C1 123384024 WSDINGBNFDAXDW-GOSISDBHSA-N 299.776 4.720 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccccc1)NN 125394455 YVEYJVDZKRZMAH-GOSISDBHSA-N 276.468 4.592 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H]1C[C@@H]1C 126894785 AXWKMFLQUSCIDR-YESZJQIVSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCOc1cccc(Cl)c1CCN 128494667 ADGVPPHUCDRKFI-UHFFFAOYSA-N 297.870 4.971 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCC[C@H](O)C1 149522760 CASHPESAJGFGCQ-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCCC[C@](C)(F)C[C@H]1CCCCN1 157401885 DLKYAVQTWYNLEY-CVEARBPZSA-N 257.437 4.997 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1OCC[C@H]1C 157910413 VHVXRTICXGRUCR-IXDOHACOSA-N 269.473 4.530 30 10 CJEE Cc1cc([C@@H](O)C2(C#N)CCCCCCC2)c(C)s1 158986739 UWZHEQRMWMGKNI-OAHLLOKOSA-N 277.433 4.653 30 10 CJEE Cc1ccc(C(F)(F)F)cc1Nc1ccc(C#N)c(F)c1 160511884 CUEXKLVYZFKBKI-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(CC)s1 161173093 CQJYWYDLWDVBMV-CYBMUJFWSA-N 253.455 4.541 30 10 CJEE CCCCCCCCCOc1ccc(N)c2ncccc12 161192955 LQKFFIQQDIXARP-UHFFFAOYSA-N 286.419 4.946 30 10 CJEE C[C@@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)c(C#N)c1 164489563 HDNDJTMGSCPLES-QMTHXVAHSA-N 283.293 4.535 30 10 CJEE C=C(C)CCn1cc(CCNC(C)(C)C)c2ccccc21 164876509 IUYTZYXWSUJSJC-UHFFFAOYSA-N 284.447 4.538 30 10 CJEE C=CCC[C@@H](NCCC)c1cc2c(s1)CCSC2 167798499 HPAOSPYLALLTCK-CYBMUJFWSA-N 281.490 4.544 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccc1Cl 214648593 WZDHKHHKHNANTM-HIFRSBDPSA-N 276.811 4.838 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 227529759 DZSBGITVNQMZSY-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCCc2cccnc21 229780438 GBURBVJLJMCWKD-ZWKOTPCHSA-N 288.479 4.970 30 10 CJEE C#C[C@H](CCC)N[C@H](CC)c1ccc(Cl)c(Cl)c1 229925323 YCFPRRROONHFSH-IUODEOHRSA-N 284.230 4.836 30 10 CJEE CC(C)C[C@H]1CCC[C@@](O)(C2(C#N)CCC(C)CC2)C1 230794778 DGWOCGSKSGMJMR-FPQWYMTMSA-N 277.452 4.674 30 10 CJEE Cc1sc(C(C)(C)C#N)nc1-c1ccc(Cl)cc1 231791090 YOWIBUMOCFLKES-UHFFFAOYSA-N 276.792 4.573 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCC[C@@H]1CC 232975057 FGTPHBDNYKFSEB-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2csc3ccccc23)CC1 235698597 HAKWSAPWUUFGGY-GFCCVEGCSA-N 270.397 4.759 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(Cl)cc1C 235779763 MCYTYDKSIBQOIR-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253042903 MRSDBBXAELANCM-XDNAFOTISA-N 263.469 4.927 30 10 CJEE Cc1cc([C@H](C)C#N)cc(Cl)c1OCc1ccccc1 260438151 UKCFPGARUCWBGK-CYBMUJFWSA-N 285.774 4.855 30 10 CJEE CCCCCCC[C@H](C)N(CCC)C[C@H]1CCCCN1 300199719 MOEDPTGTSVCWFF-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C[C@@H]1CCN(C[C@@H](CS)C(C)(C)C)c2ccccc21 311331484 DDJCWFJZMQGJCX-KGLIPLIRSA-N 277.477 4.592 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(C)cc(C)n1 311920167 GMPNPLDQHXPIJP-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE CO[C@@H]1CCCC[C@H]1C1(C#N)CCC(C(C)C)CC1 312074114 PFXGWDFUKWYYLC-JCCCHCCOSA-N 263.425 4.548 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc2c(s1)CCC2 312298407 TUAZORRWVZIUGG-OAHLLOKOSA-N 289.488 4.717 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(C)c(C)n1 316661501 JGIQBUPAJAJIFX-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 316831240 VLAJYUWHYUBABT-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(F)cc2C)CC1 317207202 JDMLJJFUWZOLRK-UHFFFAOYSA-N 276.395 4.852 30 10 CJEE CCCCCCC[C@H](N)Cc1csc(Cl)c1 378984710 PVTXMEFSPANMGZ-LBPRGKRZSA-N 259.846 4.632 30 10 CJEE CC(C)OC1(C#N)CCCCCCCCCCC1 384133352 LQZQYDYAJMTGCG-UHFFFAOYSA-N 251.414 4.978 30 10 CJEE CC(C)C(C/N=C1/N[C@H](C2CCCCC2)CS1)C(C)C 386087303 FDPZWYVWLJEGGU-INIZCTEOSA-N 296.524 4.556 30 10 CJEE Clc1cccc(N=C2N[C@H](C3CCCCC3)CS2)c1 386158490 KICIWSHJTLWQQV-AWEZNQCLSA-N 294.851 4.613 30 10 CJEE CCCCCCCCCC[C@H](N)C(C)(C)COC 395492866 KPXCOEOOWAVTSF-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE CCCCCCCC[C@@H](CCN1CCCC1)NCCC 395865209 CSXOCEUKHMBUJZ-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC/C(=C\B1OC(C)(C)C(C)(C)O1)c1cccc(Cl)c1 396693683 QISNARXJLKFDFK-VAWYXSNFSA-N 292.615 4.765 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Br)ccc1C 398093301 PZTFVXMVGKTJJM-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE CCC1CCC(C/N=C2/NC3(CCCC3)CCS2)CC1 687320292 YLVZSGZBZRNBFP-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC1=O 687997669 QEBHEYKHJSUBJJ-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CCCCCCCCC[C@@]1(O)CC[C@H](C)SC1 689489365 YKNIMTSZTLSVFA-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1CCN(C)C1 690565891 OYOCZTZWVAPUEL-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2cccc(F)c21 692191541 RMIMTDXLIWUKQN-FZMZJTMJSA-N 290.407 4.772 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCC12CCCCC2 694282169 YMRLAIHORZLAGT-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CCCCCCCCC[C@@H](O)CC1(CN)CCCCC1 696221660 JEXHREJYOWMTNX-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE CCCCCCCCCCCCNC[C@@](C)(O)C(F)F 698676647 OLTVPGMKVUOQHX-MRXNPFEDSA-N 293.442 4.513 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1nnc(C)s1 698852028 DNUVXORHMXDZDV-HNNXBMFYSA-N 297.512 4.637 30 10 CJEE CCCCCCCC(=O)c1ccc2ccncc2c1 702688980 DRZIBHHEYOAZGI-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE C=CC[C@@H]1CCCCN(c2cccc(Cl)c2[C@H](C)N)C1 703691072 QHZURILVPYBFCX-UONOGXRCSA-N 292.854 4.542 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C[C@H]1CCCO1 704878281 LWYIOMBAEUDGGE-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@H]21 707870936 QBFCPANWKLGQJJ-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C#N)CCCC(C)(C)C1=O 709239630 XHALRFOLDIKXGW-GUYCJALGSA-N 263.425 4.738 30 10 CJEE C=C(Cl)C[C@@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 710476141 OPHAXMPXILWZRB-OAHLLOKOSA-N 279.855 4.613 30 10 CJEE CCCCCCCCCCNC[C@H]1CCC(C)(C)CO1 713600094 AHQXWEIYDVQJBQ-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CC[C@H](C)[C@H]1CC(C)(C)CC[C@H]1CNCCC 715788280 PHNARYDPGHLKOY-HRCADAONSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@]1(N)CC[C@@H]2COCC[C@H]2C1 723657882 QDRGUMYFYKKLDW-KSZLIROESA-N 281.484 4.661 30 10 CJEE C[C@H]1CC(C#N)(Cc2cc(Cl)ccc2Cl)C[C@H](C)O1 724287357 KGYQRSZICJWNJP-QWRGUYRKSA-N 298.213 4.633 30 10 CJEE C[C@H]1CC(CC2(C=O)CCCCCCC2)C[C@H](C)O1 724383216 HOBWHCMTFVJUAK-GJZGRUSLSA-N 266.425 4.510 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)C)CC[C@H]2O)CC1 724595124 MMHVTIKQEVKTLQ-BRWVUGGUSA-N 250.426 4.556 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)cc(C)c2)CC1 724598697 CVNPBIIXHGWYHT-SFHVURJKSA-N 257.421 4.700 30 10 CJEE Cc1ccccc1N=C1N[C@H](C2CCCCC2)CCS1 725090012 UJHXXRAATRCARE-INIZCTEOSA-N 288.460 4.658 30 10 CJEE CC(=NNc1cccc(Cl)c1C)c1ccc(Cl)cn1 774371388 RKWNNZNBZCAIAI-UHFFFAOYSA-N 294.185 4.533 30 10 CJEE C=CC[C@@H]1N(C(=O)c2cc(C)c(C)s2)CCCC1(C)C 1128576794 YUUWVXVDKFBPBS-HNNXBMFYSA-N 291.460 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)CC(C)(C)C 1130905078 VCIVKSCXAWMFNM-OAGGEKHMSA-N 279.468 4.700 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 1155025554 AXTBRDKTNMIKME-SFHVURJKSA-N 285.431 4.516 30 10 CJEE C#CCCCCCC(=O)N(CC)c1cccc2ccccc12 1264311384 YRTYZQONQZCBHZ-UHFFFAOYSA-N 293.410 4.776 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 1354001773 CSFLRAFRUIGCEK-CYBMUJFWSA-N 289.444 4.506 30 10 CJEE C#CC[C@H](NC(=O)CCCC1CCCCC1)c1ccccc1 1435596734 KQVLKRKJJAQHAI-IBGZPJMESA-N 297.442 4.618 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 1458275967 YBBKUEZKDLFGGZ-SOLBZPMBSA-N 287.447 4.677 30 10 CJEE C=CCC1(NCc2ccc(F)c(Cl)c2)CCCCC1 1460629232 BUKVCZYXDSRTDB-UHFFFAOYSA-N 281.802 4.848 30 10 CJEE C=CCC[C@H](C)N[C@H](CC(F)(F)F)c1ccc(C)cc1 1462053637 PDIXFWMICFDQQW-DZGCQCFKSA-N 285.353 4.933 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(CN(CC)CC)cc1 1462099364 ZWFHCMFIGLUFRQ-KRWDZBQOSA-N 274.452 4.685 30 10 CJEE C=CCCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1473375169 PIYMAPURTLYUOK-MRXNPFEDSA-N 290.410 4.842 30 10 CJEE C=C(C)CCN(Cc1ccc(CC)cc1)CC(C)C 1473577568 IKYDBCGHJIIENX-UHFFFAOYSA-N 259.437 4.673 30 10 CJEE 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282.374 4.908 30 10 CJEE CCCCCCCCOc1ncc(CN[C@@H](C)CC)s1 2239128813 ZCNKBGBXZXQNMF-AWEZNQCLSA-N 298.496 4.771 30 10 CJEE CCC[C@H](CS)CN(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2239255237 KODXZERWWWZIGI-VSZNYVQBSA-N 297.552 4.871 30 10 CJEE CCN[C@](C)(C#N)CCSCCCCCCCC1CC1 2239366419 XVIKDYNCPBHGPB-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)C1CCCCC1 2239445244 GNMVTHDFBDEHHW-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)[C@@H](C)C(C)(C)C 2239558910 LNPVPMVYKCMMOL-PBHICJAKSA-N 291.866 4.742 30 10 CJEE C=C(C)CN(CC)c1ccc(CN[C@@H](C)CC)c(Cl)c1 2240015864 BYMLZSZXAOJJLK-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCC(CC)CC1 2240557116 VCIDBKOWVKLDBM-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C1=CCCCCC1 2240665725 GKBVUFAXVUFQQC-GOSISDBHSA-N 280.452 4.948 30 10 CJEE CC(C)CCC[C@@H](C)CCOCCC#CBr 2243882107 SCUSSVCMQLHNOG-CQSZACIVSA-N 289.257 4.601 30 10 CJEE C=CCCSc1ccnc2ccc(Br)cc12 2244565403 BHQZVPQWYZQSSV-UHFFFAOYSA-N 294.217 4.666 30 10 CJEE C=C(C)CCCCN1CCc2c(Br)cccc21 2250141172 MNHICPLCZDLJNY-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc(C)c(Cl)cc1C 2257653861 WSBJTVQJCHDRBM-MEDUHNTESA-N 265.828 4.820 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(CSC)cc1 2259184369 QZUOMPODARXQAK-MRXNPFEDSA-N 264.434 4.720 30 10 CJEE C=C(C)CCCC[C@H](O)c1scc2c1CCCC2 2259233472 OPQCLKFKFNSUOX-HNNXBMFYSA-N 264.434 4.797 30 10 CJEE COCCCCCCSc1ccc(C#N)cc1Cl 2259310365 PSLUJGXMXJSKLX-UHFFFAOYSA-N 283.824 4.511 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1sc(C(F)(F)F)cc1C 2263304910 SJWJPNJKDRWNGP-LDYMZIIASA-N 277.355 4.677 30 10 CJEE CC1CC(CS)(CSc2ccc3ccccc3n2)C1 2265306620 VELVZHGVSVVMLA-UHFFFAOYSA-N 289.469 4.673 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(C)c(C#N)c(C)c2)C1 2265880521 YKQLTHSJZLRHPY-GJZGRUSLSA-N 256.393 4.556 30 10 CJEE CC#CCCC[C@@H](C[C@@H]1CCCC12CC2)NCCC 2266585883 CGVFAHSGQVAIRT-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)nc2Cl)CCCCC12CC2 2271217069 FBHFHWURCRFXTO-OAHLLOKOSA-N 295.213 4.795 30 10 CJEE C=CCCCCCCCSC[C@](C)(C#N)NCCC 2271515351 IUDDTNULFDPZQS-INIZCTEOSA-N 282.497 4.528 30 10 CJEE C#CC1(NCC(CCC)CCC)CC2(CCCC2)C1 2272596659 DWTMYCVXRAEHRE-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](N)CC#CC2CCCC2)CC1 2274181019 MCBZCFWONZUGSW-BPQIPLTHSA-N 261.453 4.504 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC12CCC(CC1)C2 2274351166 DKRDTIPKMQOKPG-RJYAGPCLSA-N 285.497 4.974 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)CCC)OCCN 2276476446 WYWOOGUWUYLJNZ-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H](C)[C@H](C)CC 2276640632 PCEWHGRRRWKTHD-IKGGRYGDSA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@H](O)[C@@H](N)c1cc2sccc2s1 2278099679 LIQRSGMKRMMCQB-XHDPSFHLSA-N 297.489 4.684 30 10 CJEE CCCCCCCCC[C@H](C)Nc1cncnc1C 2278247442 NKBXYPQAXGSXBU-AWEZNQCLSA-N 263.429 4.726 30 10 CJEE CCSc1cccc(NC2CC3(CC(C)C3)C2)c1C#N 2280044351 KCVNJHVVPQZSAY-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CCC[C@@H](C(C)(C)C)C2)C1 2280054469 HBEPRCWKIQCPSM-GARNVTTQSA-N 297.552 4.869 30 10 CJEE CCCCCCC[C@H](O)[C@H](C[C@@H]1CCC1(C)C)NCC 2280981573 VEAIZRMMFKPIJJ-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE N#C[C@]1(C[C@H]2CCC23CCC3)CCCc2ccccc21 2280998238 KRTVZQDNBVIAAU-VQIMIIECSA-N 265.400 4.755 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1cccc(F)c1F 2287079271 TZEXDUNOXZVMON-OAHLLOKOSA-N 299.430 4.705 30 10 CJEE N#Cc1ccc(Nc2cc(C3CC3)ccc2F)cc1Cl 2287322167 CEMCOYUSUDPHIO-UHFFFAOYSA-N 286.737 4.972 30 10 CJEE CC(C)(C)c1cc(Oc2ccc(C#N)c(Cl)c2)ccn1 2289224926 VZYYNCIUHONEFU-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccnc(C(C)(C)C)c1 2289316521 SDBHMLFBKNSBRV-ZBFHGGJFSA-N 274.452 4.632 30 10 CJEE CSCC1(C[C@]2(C#N)CCCc3ccccc32)CCC1 2289668321 ONVWGWVUIFDMOF-SFHVURJKSA-N 285.456 4.708 30 10 CJEE CCCCCCC[C@@H](CCC(C)(F)F)OCCC(=O)O 2291087110 HMLXZSITYUMGPY-ZDUSSCGKSA-N 294.382 4.642 30 10 CJEE C=CCCCC[C@@]1(OCCC(=O)O)CCCCC1(C)C 2291474311 DPDOAFKJTVBQGS-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](C#CC(C)(C)C)OCCCN 2292609395 RWWXNSBITVFVFZ-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE C=CCCC[C@H](OCCN)C1CCC(C(C)(C)C)CC1 2292727992 STWQOVMQJQWYCQ-JCYILVPMSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC12CCC2)OCCN 2292769944 JRWUZXWXLLXXQC-SJORKVTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CC[C@H](C)SC1 2292775593 DUCQQNBYRGUVDK-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1cccc(C)c1 2292893634 OKMQKEDRXQDUSB-GOSISDBHSA-N 275.436 4.538 30 10 CJEE CCCCCCC[C@H](Cc1cccc(Cl)c1)OCCN 2293795519 GGCBUKNKIZSPFM-QGZVFWFLSA-N 297.870 4.587 30 10 CJEE N#C[C@]1(c2ccc3ccc(Cl)cc3n2)CCC12CCC2 2294977169 QZHBYKJZLMIBJX-KRWDZBQOSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1ncoc1C 2295668684 LRFMMWAKZRRHJI-HNNXBMFYSA-N 280.456 4.644 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cnc(CC)[nH]1 2295669839 ZXZTUDPLMAHDIJ-OAHLLOKOSA-N 279.472 4.591 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@H]2CC[C@H]1O2 2295681311 FZWMTHXARLQYCE-WNRNVDISSA-N 281.484 4.815 30 10 CJEE CCCCCCS[C@@H]1CC[C@H](C)[C@](C#N)(NCCC)C1 2295766330 MHELTPRWGSUTHJ-BBWFWOEESA-N 296.524 4.750 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc2scnc2c1 2296128018 DFUUVYGAVLGMNC-CXAGYDPISA-N 288.460 4.939 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(F)cc1Cl 2304125860 ROBRSWUIVTUWNZ-UONOGXRCSA-N 256.748 4.505 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Cl)c1C[C@@H](N)CC 2313637036 AIDXOPBLBPZWKV-NEPJUHHUSA-N 283.868 4.677 30 10 CJEE C=CCCC[C@@H](NCC)c1c(F)ccc(C)c1Cl 2313886128 HIWWPTMQVIJQGI-CYBMUJFWSA-N 269.791 4.794 30 10 CJEE C=C[C@](C)(CNCC)Cc1ccc(Cl)c(Cl)c1C 2316708426 BJUXAPFOBDWSIV-HNNXBMFYSA-N 286.246 4.646 30 10 CJEE C#CCCCCCCN[C@H](C)CCCCCCC 2316801106 UCGGFTUBAMYACT-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CC(C)[C@H](C)[C@H](C)OCC1(CS)CCCCCC1 2317635769 IKVVHRQZDDJSBC-GJZGRUSLSA-N 272.498 4.954 30 10 CJEE CC1(C)CC[C@@H](C[C@]2(C=O)CCCC(F)(F)C2)C1 2319324989 BGSUDHDCKZQIDR-TZMCWYRMSA-N 258.352 4.597 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1sc(C)c(C)c1C 2321114203 VTELKJKHONIELO-JKSUJKDBSA-N 265.466 4.926 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(F)c(Cl)c(F)c1 2321223393 GORWEOPFNLBIIU-KGLIPLIRSA-N 274.738 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@@H]1CCCC12CC2 2321231308 DUGLDAZFXGPROS-XHSDSOJGSA-N 250.426 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C[C@@]12CCCC[C@@H]1CC2 2321234239 RPYJAMFAPFFGJP-VQHPVUNQSA-N 250.426 4.700 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1ccccc1Cl 2322432492 PBYDATNQUZLJEO-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE CC[C@](C=O)(Cc1cc(F)c(Cl)cc1Cl)C(C)C 2325258840 RHNRNBXLLCGYIY-CQSZACIVSA-N 291.193 4.926 30 10 CJEE CCCCCCCCCC[C@H]1C[C@H]2CC[C@H]1NC2 2325607873 HIVNXNMYEBYKMU-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1cccc(C)c1 2335098831 ORTALMRKXGTUPF-WBVHZDCISA-N 277.477 4.734 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@](C)(CC)C(F)F)CC1 2336595471 GXOWPQYSXTXBHI-GDBMZVCRSA-N 273.411 4.782 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1ccc(C)cc1 2337073746 BKCGKLNOPYODMW-CGTJXYLNSA-N 257.421 4.781 30 10 CJEE CC(C)[S@@](=O)N=C(C1CCCCC1)C1CCCCC1 2338348415 SXDCFVHUKJFUBS-LJQANCHMSA-N 283.481 4.660 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)[C@@H](C)C(C)C)CC1 2340267845 MWIKYRYWIHMPSX-ORBLRFAASA-N 265.441 4.530 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)CCC1=CCCCC1 2340321339 UMBZDNJOZBSJMC-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE C=C(C)CCCC[C@@H](CCCCCOC)NCCC 2341334330 SMCFGDVNLPAYPV-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=C(C)CCCCC(=O)c1c(F)cccc1OCC 2341818991 YLYKVZDXTDOIAI-UHFFFAOYSA-N 264.340 4.544 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341893109 KXENZBMZXQVURY-OBVSXPTNSA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@H](CCCC(F)(F)C(F)(F)F)NCCC 2341917229 FSPRCBJRUIFAOW-NSHDSACASA-N 287.316 4.689 30 10 CJEE CC1CC(CS)(COCc2cccc(C(C)C)c2)C1 2343783016 AZILCLIKFUORDI-UHFFFAOYSA-N 278.461 4.673 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc2ccccc12 2344369312 OMFPNYDRKIJJTK-KRWDZBQOSA-N 253.389 4.703 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)[C@@H](C)CC(C)C 2351994296 DDUYSBAWINOAAD-BBRMVZONSA-N 284.465 4.766 30 10 CJEE CCCCCCCC[C@](C)(N)[C@H](C)C[C@@H]1CCOC1 2353008882 OJDPDHUCNNCCAU-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)[C@@H](N)CC1CCC(CC(F)(F)F)CC1 2353168024 TXXOGZGSFJKIIJ-RYSNWHEDSA-N 277.374 4.675 30 10 CJEE C=CC[C@H](C)SCC[C@@H]1CCCC[C@@]1(C#N)NC(C)C 2360207551 IVJHGQYPAJIYNL-ULQDDVLXSA-N 294.508 4.525 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)ccc1[C@@H](C)NCC 2360214782 MLFQJIWCDLWQRU-CYBMUJFWSA-N 293.838 4.910 30 10 CJEE C=CCC(CC=C)SCc1cc([N+](=O)[O-])c(C)cc1F 2360349934 LYJPIUQTCYKZNO-UHFFFAOYSA-N 295.379 4.796 30 10 CJEE C=CCC(CC=C)Sc1cc(C)nc(CNC(C)C)c1 2360380276 BZXDMSKERLDUQP-UHFFFAOYSA-N 290.476 4.501 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1ccc(C#N)cc1F 21519634 SHOBUJKXAZMNNP-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE Cc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 37306418 IZRUTWOFAGAIGY-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE N#C[C@H](C(=O)c1ccsc1)c1c(Cl)cccc1Cl 37344202 KBXVUJSAMCJQDO-VIFPVBQESA-N 296.178 4.545 30 10 CJEE N#CC[C@@H](Nc1ccc(Cl)cc1F)c1ccccc1 55017956 WHBFSFICCLESRU-CQSZACIVSA-N 274.726 4.546 30 10 CJEE N#C[C@H](Cc1c(Cl)cccc1Cl)c1ccccc1F 57724575 YVZPRNXUTJDCJE-JTQLQIEISA-N 294.156 4.982 30 10 CJEE C[C@H](c1ccccc1)[C@H](C#N)c1ccccc1Cl 57746141 ZXJRAAVBVBHVGX-DOMZBBRYSA-N 255.748 4.751 30 10 CJEE N#Cc1ncccc1CSc1cc(Cl)ccc1Cl 61664989 XMSCTKKKPWFTAE-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE Cc1ccc(C#N)c(Nc2ccccc2C(C)(C)C)c1 71174442 JXFATIWYMATHLO-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE CC[C@H]1CCCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 79341307 NGBHPDVBMMUGNH-BSDSXHPESA-N 290.495 4.853 30 10 CJEE CCCc1nc(-c2ccc(C)cc2)sc1CS 82427140 YUJRDLUNKNREEA-UHFFFAOYSA-N 263.431 4.501 30 10 CJEE CC[C@@H]1CCCC[C@]1(O)C1(C#N)CCC(C(C)C)CC1 91886097 XFXUKUBGWYWYKT-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE C[C@H]1C[C@H](OCCCCCCS)CC(C)(C)C1 94583994 PEQUNZCFDZPREY-KBPBESRZSA-N 258.471 4.708 30 10 CJEE C=C(CC)C[C@@H](CCc1ccccc1C)NCCC 97284215 BNBVSOYCXBISQC-GOSISDBHSA-N 259.437 4.652 30 10 CJEE CCCCCCCn1cc(CN)c2c(Cl)cccc21 107021519 ICGRMNPSIHDKRE-UHFFFAOYSA-N 278.827 4.724 30 10 CJEE C#C[C@H](C)Cc1cc(Cl)cc(Cl)c1OCCC 107657064 NDMFJUPZFCEEIP-JTQLQIEISA-N 271.187 4.594 30 10 CJEE C=CC[C@@H](C)c1cc(Cl)c(OCC)cc1OCC 107676143 KFYOGPIKBRMDQV-LLVKDONJSA-N 268.784 4.817 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(F)cc(F)c1 109713308 BMJXCOCSKJBUNS-MRXNPFEDSA-N 270.363 4.619 30 10 CJEE CCCCCCCCO[C@@H](c1ccsc1)[C@H](N)CC 109988903 DGOKNSLJEIEWAS-CVEARBPZSA-N 283.481 4.904 30 10 CJEE CCCCCCCCCCNC[C@@H](C)N1CCCCC1 110167662 WPXNTAZXBKASCL-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265649 NZWDRUZLOBSQRI-OKZBNKHCSA-N 290.495 4.997 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(C)cc1 112151750 KMOBONFZILUYNI-INIZCTEOSA-N 257.377 4.532 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@@H]1CCC 114058573 QZCPFYYQVXWTAD-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCC(=O)N(C)[C@@H](C)c1cccc(N)c1 115854621 CZYFJLHCKQZNNR-HNNXBMFYSA-N 290.451 4.539 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1ncc[nH]1 126785489 KLIUMIYWHZOBNV-OAHLLOKOSA-N 265.445 4.721 30 10 CJEE CCCCCCC[C@@H](O)c1cc(F)ccc1Cl 127519054 ZWHTYRXRZGDHRY-CQSZACIVSA-N 258.764 4.873 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(C(F)F)cc1 131483701 CVFWCFLUGAHCEF-CQSZACIVSA-N 292.716 4.954 30 10 CJEE CCSc1cccc(OC[C@@H]2CC=CC[C@H]2C)c1C#N 136710945 QZHJGENWBFHMTQ-KGLIPLIRSA-N 287.428 4.651 30 10 CJEE C=C(C)CC[C@H](O)c1cc2cccc(Br)c2o1 140183689 GGTMKVPAPOQSQQ-LBPRGKRZSA-N 295.176 4.585 30 10 CJEE CCCCCCCCCC[C@H](N)c1cccnc1C 143422862 AGDQSBQGBXBSTO-KRWDZBQOSA-N 262.441 4.921 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cnn(C)c1C 143424844 ASXOCJHGZNBIME-KRWDZBQOSA-N 279.472 4.520 30 10 CJEE CC1(C)CCC[C@](O)(C2(C#N)CCCCCCC2)CC1 156824283 LILYPHFGKAVQRL-GOSISDBHSA-N 277.452 4.962 30 10 CJEE CCCCCCCOC[C@@H](NCCC)C1CCCC1 157539503 HCLXJVTVVCCLKY-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCN[C@@H](CC)Cc1ccccc1 160778959 FXYZDJYJTHEKLT-SFHVURJKSA-N 261.453 4.958 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 162620170 LGXVUXRVQXAZCM-RKDXNWHRSA-N 276.182 4.748 30 10 CJEE CCC1CCC(CNc2cccc(SC)c2C#N)CC1 167590024 JJNZUHGJDQVPBQ-UHFFFAOYSA-N 288.460 4.908 30 10 CJEE CCCCCCCCC[C@H](O)C1[C@H]2CCCC[C@H]12 168201379 LWDNPQVQLSBCIS-JYJNAYRXSA-N 252.442 4.924 30 10 CJEE CCC(CC)N(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 223351633 RNBXITUGUMNRLR-YQVWRLOYSA-N 284.447 4.583 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(Br)ccc1C 229735038 PVUGWXCOKPVWAS-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(OC(F)F)cc1 229755018 BNZIGRNPGRKTFF-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE CCCCCCCCNC1=N[C@H](C(C)(C)C)CCS1 231099348 ZNVDUYGMFITGNQ-AWEZNQCLSA-N 284.513 4.844 30 10 CJEE C=CCCCCCOc1ccc(CNCC(C)C)cc1 232584373 BPSCYVASKOYMKG-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CCCCCCCCCCCCN1CC[C@](C)(CN)C1 232933571 ZXUSWPNEAKIQFX-GOSISDBHSA-N 282.516 4.578 30 10 CJEE CCCCCCCCNc1cc(C)cnc1Cl 232941863 RXTXGCVTZGXMTE-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE Cc1cc(Cl)ccc1OCCCCC(C)(C)C#N 235812861 IDCSXIBKEWMTPG-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE Cc1ccc(Oc2cc(Cl)cc(Cl)c2)c(C#N)c1 235901851 IORZEENSUHAFSJ-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE N#Cc1sc(NC2CCCCCCC2)c(C2CC2)c1N 236353879 NMKVBHQITPZYRF-UHFFFAOYSA-N 289.448 4.604 30 10 CJEE CC1(C)CCC[C@@H](c2cccc(C3(C#N)CC3)c2)C1 260577841 JUFXXMIGIHODLG-OAHLLOKOSA-N 253.389 4.926 30 10 CJEE Cc1ccc(N[C@H](C)c2cc3ccccc3s2)nc1C#N 302659128 ORIGZROCJBLGED-GFCCVEGCSA-N 293.395 4.650 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccc(Br)cc1 304559720 VOWSRXVTCIWWMH-RISCZKNCSA-N 280.209 4.738 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCCC(F)(F)C2)C1 306040308 TXUSTNZELHQMDX-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1F 307928754 RIBNWXFYIHAWGB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1cc(C#N)cc(NCc2ccc(C(C)(C)C)s2)c1 308117610 CCNNUIADTOAWLF-UHFFFAOYSA-N 284.428 4.838 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2cc(Cl)ccc2Cl)O1 310317915 XVFBZPGLADJUND-CHWSQXEVSA-N 270.159 4.517 30 10 CJEE CCCCCCCCCC[C@@H](N)c1coc(C)n1 310975129 HUVICZGOCSFXHI-CQSZACIVSA-N 252.402 4.514 30 10 CJEE C=C([C@H](NCCC)[C@H]1CCC[C@H](CC)C1)C(F)(F)F 312037437 ZPFJJYHGIOQTJR-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCC(F)(F)F)CC1 317396682 ZCQFEWGPANUDIS-UHFFFAOYSA-N 264.331 4.751 30 10 CJEE C=C[C@H](C)C1(CNCC(C)C)CCCCCCC1 318387841 QFLCBNDJCMGOSQ-INIZCTEOSA-N 251.458 4.785 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1 385128167 GSBYZHRCROVAFD-CABCVRRESA-N 251.458 4.783 30 10 CJEE C[C@@]1(c2ccc(Cl)cc2Cl)CCC[C@H](CC#N)O1 386465320 TXEXPDMKOTVVMY-RISCZKNCSA-N 284.186 4.691 30 10 CJEE CC1CCC(CC/N=C2/N[C@@H](CC(C)(C)C)CS2)CC1 393561323 OOQLMYQLTWTPTJ-NRXISQOPSA-N 296.524 4.700 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(C)cc(Cl)c2)C1 395081333 MFTPQURGRGSFHM-COXVUDFISA-N 291.822 4.792 30 10 CJEE CC[C@@](C#N)(Nc1ccc(Cl)cc1)C1CCCC1 395609110 XTLVNQFKFKODFZ-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](C)CC(F)(F)F 402937335 MPPKZURDGKULQB-QWHCGFSZSA-N 267.379 4.914 30 10 CJEE Cc1ccc(CC2(C#N)CCC(C(C)(C)C)CC2)cn1 405642209 NWODZZHMEXBHRJ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE C=C(C)CCSCc1cc(F)cc2cccnc12 507085355 LINNGJMLPZLTCD-UHFFFAOYSA-N 261.365 4.573 30 10 CJEE Cc1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F 575341035 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293.366 4.529 30 10 CJEE C#CCN(Cc1ccccc1)C[C@@H](C)c1cccc(Cl)c1 1560822785 ZEUCRBYTBPKSAJ-MRXNPFEDSA-N 297.829 4.579 30 10 CJEE C=CCCCCCCCNC(=O)C12CCC(CC1)C2(C)C 1584289030 PVFFBDWFLKSSMZ-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc([C@H](C)CC)cc1 1586933113 NROIUYCLBAOXAU-CQSZACIVSA-N 273.420 4.675 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C)ccc1C 1596114581 PMDCPMWSGBTYFO-UHFFFAOYSA-N 287.447 4.950 30 10 CJEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccccc1 1615006974 XXBCVDQQCCBDMX-NSURYPBFSA-N 295.431 4.954 30 10 CJEE C#CCCCCCCN(C)CC(C)(C)c1ccc(C)cc1 1615665464 PDYHIUOVCWXECA-UHFFFAOYSA-N 285.475 4.788 30 10 CJEE C=CCC[C@H]1CCCN1C[C@@H]1CCC2(CCCCCC2)O1 1620642485 WZYIGNNPZXCXPB-ROUUACIJSA-N 291.479 4.689 30 10 CJEE N#Cc1ccc(CSc2cc(Cl)ccc2F)cc1 1641118091 GEPUNXCJYWAWHX-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=CCCCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 1642311680 MJMVFBGBNHIQOQ-KRWDZBQOSA-N 295.426 4.922 30 10 CJEE C=C(CC)CSc1nc2cc(Br)ccc2o1 1644142903 KORBKKHIDHRZBU-UHFFFAOYSA-N 298.205 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CCC[C@H](CC)COCc1ccc(C#N)cc1Cl 2328151063 BAVWIIPHTWBZJC-LBPRGKRZSA-N 265.784 4.555 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@@H](CC)c2ccc(Cl)c(Cl)c2)C1 2333894756 XJVGTYKAFCBDRV-GHJWDPDVSA-N 296.241 4.836 30 10 CJEE C=CCC(CC=C)Sc1ncc([C@H](C)NCCC)s1 2335239768 XAKMXEARGIUNSC-LBPRGKRZSA-N 296.505 4.817 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 2337110636 CQDISADVKWJWAP-IMPIEMTGSA-N 261.453 4.536 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(F)ccc1C(F)F 2338274433 NAEBMICUMAJPMV-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341924285 SDTHQQBSCZMNPJ-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE CC1=C(C)C[C@H](COc2ccc(Cl)cc2C#N)CC1 2343306007 XVNFCRARFVTQSV-CYBMUJFWSA-N 275.779 4.727 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H](C)c1ccccc1)NCC 2344341138 ZBNKUWRBROBUMK-DOTOQJQBSA-N 259.437 4.761 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCCC)C1=C[C@H]2CC[C@H]1C2 2344341688 DOMPAVXGMARQDZ-UOVPBQLFSA-N 261.453 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC[C@@H]1C(F)F)NC 2344370283 AEPXHFWDICZULX-YXWQFLTLSA-N 273.411 4.638 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1[C@H]2CCCCC[C@H]21)NCC 2344376793 BNQYCTBMKCRXQH-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(C(F)(F)F)c1 2344385812 RQPPDKFWOQSUOJ-UONOGXRCSA-N 271.326 4.698 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@H]1C1CCCC1 2352068043 JCHDIAHHAGLWGA-WBVHZDCISA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CC[C@H]1C1CCCCC1 2352091226 AHPDATGCOTYZLD-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE C#CCCCCCCCOc1c(C)sc(C=O)c1C 2352983734 PIDOJORJKPOLFS-UHFFFAOYSA-N 278.417 4.530 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@]12CCC[C@H]1OCC2 2354651952 JDAABXBGBKILKZ-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@H](C)N(C)[C@@H]1CCCC[C@H]1NC 2358947410 WILXMOXJNTXETC-KZNAEPCWSA-N 282.516 4.588 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccccc1OCC 2360374184 HGQJVRRIDDZRLG-UHFFFAOYSA-N 290.428 4.522 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 21519312 JOHCYZPOJWSRSE-LBPRGKRZSA-N 289.300 4.860 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc3ccccc3c2O)cc1 33414238 LPRBBVARHHTUBA-RAXLEYEMSA-N 288.346 4.750 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2F)ccc1C(C)C 36886843 CFVQTTATEFJECH-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H](C)c1cccc(C#N)c1 37294959 GEELFQDOAVXAHC-WTLGNFPFSA-N 284.447 4.670 30 10 CJEE COc1ccccc1-c1ccc([C@@H](C#N)C(C)C)cc1 41381933 DIJSFEVYJKGCSB-KRWDZBQOSA-N 265.356 4.625 30 10 CJEE N#CC[C@@H](Sc1nc2ccccc2o1)c1ccccc1 55022501 QJSJHVHPGQEZIE-OAHLLOKOSA-N 280.352 4.575 30 10 CJEE CCCCCCCOc1cc2ccccc2cc1O 59095872 RRFGTZQYJXAWGC-UHFFFAOYSA-N 258.361 4.895 30 10 CJEE CCc1sc(-c2ccc(OC(C)C)cc2)cc1C#N 77097152 SSIQCONRNVSNBY-UHFFFAOYSA-N 271.385 4.636 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(NC2CCCCCC2)CC1 86949538 GOEZIJHZMOTRCT-WMZOPIPTSA-N 276.468 4.797 30 10 CJEE CCc1ccc(CC2(C#N)CCC(C)(C)CC2)s1 87940216 OWEFRSWOFVXIIP-UHFFFAOYSA-N 261.434 4.963 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2Cl)C1 87973499 BNEMTYPWZYKCFP-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE N#CC1([C@H](O)c2c(Cl)cccc2Cl)CCCCC1 91880803 JTAWFPQFLHQMQA-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@H](C)c2ccccc2)CC1 91884772 MWIYDNQLMPBOCU-JCJXWUGKSA-N 285.431 4.651 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)c1ccc(Cl)c(Cl)c1 93955804 DXIJTZBRLLMKSC-NOZJJQNGSA-N 254.160 4.575 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cccc(C2CC2)c1 94521347 CJXBUVUMFQCILK-SFHVURJKSA-N 262.356 4.549 30 10 CJEE CC(C)(C)[C@H](CS)CSc1ccc2c(c1)CCC2 94588890 CGQWGRAMWLVABK-CQSZACIVSA-N 280.502 4.860 30 10 CJEE CCCCCCCCNCc1ccccc1OC(C)C 100048964 GLMKCTUMSVDMDZ-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(C)c(Br)c1 107497132 CZWRGNXUCFTSSV-YPMHNXCESA-N 279.221 4.911 30 10 CJEE CC#C[C@H](C)Cc1c(Cl)ccc(Cl)c1Cl 107503565 LUMZTTASUOAIGG-QMMMGPOBSA-N 261.579 4.849 30 10 CJEE C#CC[C@H](CCC)c1ccc(OC)c(C(C)(C)C)c1 107613153 PGURVPWOFHNLLC-CQSZACIVSA-N 258.405 4.900 30 10 CJEE CC(C)CCC[C@H](C)Nc1ccc(Cl)cc1C#N 110521464 YBFBZRLVTVTYBW-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE COc1ccc(/N=C(\C)c2ccc3ccccc3c2)cc1 113466638 ZNESLCAPFYHXDK-XSFVSMFZSA-N 275.351 4.989 30 10 CJEE CCCCCCCCCCCC(=O)N1CCC[C@H](C#N)C1 115857565 JTOJJAZRMZDORH-QGZVFWFLSA-N 292.467 4.669 30 10 CJEE CC(C)c1cccc(CSCCCC(C)(C)C#N)n1 121515727 BFGUEVRYWGZFLA-UHFFFAOYSA-N 276.449 4.768 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)C2CCCCC2)CC1 122095521 HXYPKWXRYCYHCW-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc2ccccc2s1 122969517 ZBPOXTCINLQORW-OAHLLOKOSA-N 271.429 4.746 30 10 CJEE CCCCCCCCOc1cccc(OC)c1[C@H](C)NC 130137645 GZLQWFDQXVJKGU-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(C(F)F)cc1 131482027 AZXGATWKONJPHM-CQSZACIVSA-N 292.716 4.954 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(C)nn1C 143462672 NLBSOTANYVSKTP-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE N#CC1([C@H](O)c2c(F)cccc2Cl)CCCCCCC1 156802784 CDKRWIRDXUDNJL-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE CCCCCCCCCCNc1nc(NCC)ncc1C 157457322 IETCMOBRKXDPIO-UHFFFAOYSA-N 292.471 4.769 30 10 CJEE C[C@@H]1C[C@H](OCc2ccc(C#N)cc2Cl)CC(C)(C)C1 162978149 RFIBEQBWZXSEFC-DOMZBBRYSA-N 291.822 4.943 30 10 CJEE CCCCCCCC(=O)[C@H]1CCOC2(CCCC2)C1 169096219 XNVQUVPAVMOLMK-HNNXBMFYSA-N 266.425 4.655 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@@H](C(C)(C)C(=O)O)C1 223500625 WHYZSIPJXWEMRF-JKSUJKDBSA-N 297.483 4.558 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1C#N 223510496 WZIYDPHDNFYXOS-NUTKFTJISA-N 275.367 4.537 30 10 CJEE C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229321503 GJWFMICUANZFAE-SFYZADRCSA-N 278.610 4.872 30 10 CJEE CCCCCCCCC[C@H](N)CCC[C@@H]1CCCO1 229498588 INIMGVMLQSGWDJ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C=C(C)C[C@@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229736359 JPCSCHOVIDEQIO-MFJUZZNBSA-N 261.453 4.667 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2ccc(C#N)cc12 232936395 VEHIDFGDPVCQSN-UHFFFAOYSA-N 268.360 4.583 30 10 CJEE CCCCCCCCC[C@@H](NN)C1=CCCCCC1 232936749 WFOIUBBWXVRLTA-QGZVFWFLSA-N 266.473 4.850 30 10 CJEE Cc1ccc(CNc2cc(C#N)cc(F)c2C)cc1Cl 235867600 IAHVGCLSRMPYCX-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(Cl)c1F 236550019 UTKOQDWTTACZQW-CYBMUJFWSA-N 256.748 4.649 30 10 CJEE CC(C)(C)[C@@H]1CCCN([C@H](CC#N)c2ccccc2)CC1 250728384 YACIRKWVTCLEHR-QZTJIDSGSA-N 284.447 4.790 30 10 CJEE N#CCCCCc1ccc(OCc2ccccc2)cc1 253614301 XGHGJRVJOWPCKA-UHFFFAOYSA-N 265.356 4.502 30 10 CJEE Brc1ccc(N=Cc2c[nH]c3ccccc23)cc1 254797623 LBGPGTLYNQLPGT-UHFFFAOYSA-N 299.171 4.681 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CCCC(F)(F)C1 302318619 CAXWDZINBCHQOB-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CCC(F)(F)C1 310411417 KZSSJSUCLNZFNF-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCCNc1c(N)cncc1Cl 311519737 DVBDPGYLJWTVER-UHFFFAOYSA-N 283.847 4.870 30 10 CJEE CCCCCCCCC[C@H](N)CC1(COC)CCC1 311762698 FESDSIQUNMMVGR-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCNCC1(OCC)CCCC1 311831713 GIFZEJULVDALTR-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC[C@H]2C)cc1Br 314525176 GVARNEUIEJVPIP-IUODEOHRSA-N 292.220 4.630 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2CCCc3ccccc32)C1 316693137 HPLQANBOUBKMPQ-SUMDDJOVSA-N 270.416 4.892 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCC(F)(F)C2)C1 317349402 SUZDZFWMPLZLIH-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE C=CCCCCC[C@@H](NCC)C(C)(C)C1CCC1 322510111 QDJWBLDVGVADSH-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C#C[C@@H](N[C@@H](CCC)c1cccs1)c1ccccc1 378746289 OPMSPYLTAKQXRQ-CVEARBPZSA-N 269.413 4.553 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2C[C@H](CC)CC[C@H]2C)C1 380366532 PPWHOJVFDSVBOE-DUQPFJRNSA-N 276.468 4.605 30 10 CJEE CCCCCCCOCc1cccc(CNCC)c1Cl 381798386 BTOSQULOINJGBO-UHFFFAOYSA-N 297.870 4.937 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCCOc1ccccc1 384888541 SRJLJHUAIJAKGU-RDJZCZTQSA-N 257.377 4.566 30 10 CJEE C=CC(C)(C)CNCc1cc(-c2ccccc2)cs1 384926131 HLLOTERYXCDHRZ-UHFFFAOYSA-N 271.429 4.717 30 10 CJEE C=C(COC(C)C)[C@H](NCC)C1(CC(C)C)CCCC1 387638126 HOIBHUYHTLFSRJ-KRWDZBQOSA-N 281.484 4.552 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cc(C)c(C)cc1C 389146517 UOMJLDXKZFYRKY-MRXNPFEDSA-N 259.437 4.865 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(Cl)cc1 410346288 VEQRDMUJQPVZJY-UHFFFAOYSA-N 285.774 4.711 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@]2(C)CCC[C@]2(C)O)C1 688341170 FYBWQEYIHBNQSK-SJORKVTESA-N 277.452 4.674 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1ccc(C#N)cc1Cl 689779065 UAZDKRHTBODZAI-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC(F)(F)C1 692240836 QSSCWBCTEXDYEV-KFWWJZLASA-N 271.395 4.536 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc2cscc2s1 694425814 LPCIRNQTQXFWIQ-CYBMUJFWSA-N 277.458 4.807 30 10 CJEE CCCCCCCCCCCCN[C@H](C)C1(CO)CC1 696043054 FZRMYTLHMYUITO-QGZVFWFLSA-N 283.500 4.658 30 10 CJEE CC[C@]1(C)CCS/C(=N/CCCC2CCCCC2)N1 703382815 RWOWVLJHOLLMFX-MRXNPFEDSA-N 282.497 4.598 30 10 CJEE C=CC[C@H]1CCCCN(c2cc(Cl)c(Cl)cc2N)C1 703622574 MKVMVLAHMWNBMK-NSHDSACASA-N 299.245 4.758 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@H](C#N)Sc1ccc(F)cc1 704930487 DUDWXRNYRKJILS-DFBGVHRSSA-N 263.381 4.636 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)[C@@]12CCCC[C@@H]1C2 709254727 VQSAVIUFHNAJME-INMHGKMJSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN[C@@H](C)C1 709348493 YOBOSRXXRCVENM-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE Cc1cc(F)cc(N=C2NC3(CCCCCC3)CS2)c1 713207075 MHOXYKWXFRZNRQ-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE C=C(C)CC[C@H](C[C@@H]1CCCC1(F)F)NCCC 713949094 DFYIGLUYEWKSQP-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714466725 PZUVWMKDOZEOJE-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE CCCCCCCCC[C@@H](N)C1CC(C2CC2)C1 714475402 WHKYLAXDESDXPE-OFLPRAFFSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 715040649 RUDGXHYDSPMKCK-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)C(=O)C1(c2ccccc2)CCCCC1 715735381 CHHUFKDZNHSIDD-HNNXBMFYSA-N 256.389 4.670 30 10 CJEE CCCCCCCCCCC(=O)CCOC1CC1 716858172 ALCSWDNSSHNVEY-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@@H]1N 719301266 QHSONWUBBXOGEB-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE N#CC1(Cc2cccc(Cl)c2Br)CCCC1 719523508 ZHTMVHMQXZIFGQ-UHFFFAOYSA-N 298.611 4.729 30 10 CJEE 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C=CCCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 1192004940 KJEYTVWTRXMEMM-SFHVURJKSA-N 268.404 4.661 30 10 CJEE C=CCC1(CNC(=O)[C@@H](CCCC)C(C)C)CCCC1 1272425617 GTNZDEMCKAZSSF-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 1289568002 JLWBSYBPAMANNR-JKSUJKDBSA-N 283.396 4.523 30 10 CJEE C=CCCCCN1CC[C@H](C)C[C@H]1c1ccc(CC)o1 1307499313 MDUKRDOIDWQCRJ-RDJZCZTQSA-N 275.436 4.971 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@H](C)c1ccccc1 1308814166 BISIEMOQPJLWON-PXNSSMCTSA-N 279.427 4.567 30 10 CJEE C#CCCCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C 1348662168 DWZJXALVWXNWDN-UHFFFAOYSA-N 292.806 4.871 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccccc1Cl)C(C)C 1360238965 GUJPGLDPNFWPDI-CXAGYDPISA-N 293.838 4.756 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@@H](C(C)C)CC1)c1ccccc1 1360610949 MJMRGHLEWNTJSP-MJGOQNOKSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 1438921932 PCKHEJPAUSUJTB-VVLLFNJHSA-N 297.442 4.947 30 10 CJEE C=C(C)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1459960191 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CSc1cccc(Nc2cc(F)c(C)cc2F)c1C#N 235103091 PLXBBSWZEVFFCS-UHFFFAOYSA-N 290.338 4.610 30 10 CJEE Cc1cccc(Nc2ccc(C#N)c3ccccc23)c1 236014490 GSOUFVJQPKPTHX-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)cs2)c(Cl)c1 236067046 BZMWUJZPPGDBCS-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=CCCCCC[C@H](N)C1CCC(C(F)(F)F)CC1 236300778 CSAIXKRMLUJKCZ-RUXDESIVSA-N 277.374 4.819 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)(C)C)NCC[C@H]1C 250796115 AWEGZKIHSIUNPA-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1C[C@H]1c1ccccc1 253011109 RVBBIEUKLOSHRM-FHWLQOOXSA-N 288.479 4.763 30 10 CJEE CCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 300105843 ITFSDQODGFBVNT-DYEKYZERSA-N 274.495 4.542 30 10 CJEE CC(C)(C)C#CC[C@@H](O)C1CCC(C(C)(C)C)CC1 311436022 RZSWSYIJDBUDEL-UYSNPLJNSA-N 264.453 4.639 30 10 CJEE CC1(C)CCC(C#N)(c2c(Cl)cccc2[N+](=O)[O-])CC1 312448523 OCQBJUSXCANOSW-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE C#C[C@@H](NCc1cc(Cl)sc1Cl)c1ccccc1 312747040 PIOXBLKXALPJQN-GFCCVEGCSA-N 296.222 4.519 30 10 CJEE Cc1cc(C#N)cc(C)c1Oc1c(N)ccc(Cl)c1C 312834871 UYVFTLAHJGFOSF-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCCC23CCCCC3)C1 312997334 UFJDPLOKGIDDJP-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1cc(Cl)ccc1Cl 316872815 KRMJONUHCXUCPI-IINYFYTJSA-N 271.187 4.541 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(C)cc2Cl)CC1 317307572 NNEOMAROVCCWIW-UHFFFAOYSA-N 278.823 4.976 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2F)C1 317396597 ZAIKVVLDQRIXNU-WBMJQRKESA-N 282.786 4.807 30 10 CJEE CCC1CCC(C=O)([C@H]2CCOC3(CCCC3)C2)CC1 317810855 CRZWVXMUOKCAAX-CGZBRXJRSA-N 278.436 4.511 30 10 CJEE Cc1c(C(=O)CC#CC(C)(C)C)oc2ccc(F)cc12 383595641 MMPZZENPZYCUGG-UHFFFAOYSA-N 272.319 4.503 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cccc(C(F)(F)F)c1 384855260 LSGWZSTZFVWMPR-RISCZKNCSA-N 267.294 4.578 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)C[C@@H]1CSc2ccccc21 384881847 IQAYKNVDOBNIIO-XJKCOSOUSA-N 257.402 4.596 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)COCc1ccccc1 390594661 SBYYOXMUCYCAQH-ROUUACIJSA-N 291.479 4.930 30 10 CJEE O=C1CCCC=C1c1ccc(Oc2ccccc2)cc1 394472608 KLXQNQNJEVDCKK-UHFFFAOYSA-N 264.324 4.615 30 10 CJEE CCCCCCCC[C@@H](N)c1ccncc1Br 395838012 CIRIJTHHBJSKOZ-CQSZACIVSA-N 299.256 4.595 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCCCC1(F)F 397979838 LYLFMGJNGJITLQ-KGLIPLIRSA-N 261.400 4.903 30 10 CJEE C=CCCC[C@@H](C)NC1CC(c2ccc(C)cc2)C1 398180204 NXBVMSNGCLPCSS-FAEJEUNOSA-N 257.421 4.575 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](C(C)C)[C@@H](C)N 399467976 UOIDGYDEZQGRQG-WBVHZDCISA-N 269.473 4.706 30 10 CJEE CCCCCCCCOC[C@H]1CCC[C@@H](NCCC)C1 403756125 DJDGNXPOCQAJKX-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CCCC(=O)Nc1cc(Cl)ccc1C(C)(C)C 669878809 GWRQMUIFPUQTHH-UHFFFAOYSA-N 265.784 4.542 30 10 CJEE C#CCCCCC[C@@H](N)C1CCC(CCCC)CC1 686695766 PHOUHTRHAMAMRH-DAWZGUTISA-N 263.469 4.894 30 10 CJEE C#CCCCCCSc1ccc([C@@H](C)NCC)cc1 686702345 GQWPFQUHZBCBLB-OAHLLOKOSA-N 275.461 4.643 30 10 CJEE CC[C@H](CC(F)F)CC1(C=O)CCCCCCC1 688769000 YIZMAGGGMIEAQU-CYBMUJFWSA-N 260.368 4.988 30 10 CJEE CCCCCCCCC[C@@H](O)CCCOC(C)C 689496385 DTCQSHVLOSFZDH-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC1(F)F)NC 691205542 NDGACZVCEVZHET-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]12CCC[C@@H]1C2 693141256 AQLHTYNHQNOCRK-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc2c(s1)CCNC2 695562067 OJDDMZLQROLMGX-OAHLLOKOSA-N 295.492 4.568 30 10 CJEE CC(C)NCc1cccc(S[C@@H](C)CC(C)(C)C#N)c1 695775960 BJYHBKUZLJMYNH-AWEZNQCLSA-N 290.476 4.605 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 695961799 RMQLLGGSJPZMIZ-CYBMUJFWSA-N 290.234 4.970 30 10 CJEE CC(F)(F)C(C)(C)C[C@]1(C=O)CCCc2ccccc21 700329780 URFDOWNSLPAKLO-KRWDZBQOSA-N 280.358 4.531 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCCC(C)(C)C1 708599242 CNUGGEJZFBCGFL-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE Cc1cc(Nc2ccc(F)cc2C#N)cc(C)c1Cl 709694563 SMGGZMWXIKDWHA-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE CCCCCCCCC[C@H](O)C1C[C@@H]2[C@@H](C1)C2(F)F 710516220 RFXAHTIRTURMSR-KFWWJZLASA-N 274.395 4.779 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cccc(Cl)c1Cl 710621551 MZGYAWQUZKACKQ-NSHDSACASA-N 278.610 4.787 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCCc2ccccc21 710689276 OHLQFEYPHWSDDH-GOSISDBHSA-N 291.866 4.649 30 10 CJEE CC(C)CC[C@H](C)/N=C1/NC2(CCCCCCC2)CS1 713208224 QIFOWTYJAKOISZ-HNNXBMFYSA-N 296.524 4.987 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)c1C#N 714289549 GOYXAXSWXZEFTG-DVOMOZLQSA-N 286.444 4.661 30 10 CJEE CCSc1cccc(NCC[C@@H]2CC[C@@H]3C[C@@H]23)c1C#N 717029341 AGUHHNGJYZVEAP-MJBXVCDLSA-N 286.444 4.518 30 10 CJEE C[C@H](COCc1ccccc1)CC(=O)C1=CCCCCC1 719183198 SWAOZDKCXIPLMU-INIZCTEOSA-N 286.415 4.689 30 10 CJEE CC1(C)C[C@@]1(C#N)Cc1cccc(Cl)c1Br 719433258 YODIUYFRFIJONI-CYBMUJFWSA-N 298.611 4.585 30 10 CJEE C=C1CCC(C[C@@H](CSc2cccc(F)c2)NC)CC1 724576319 WMTXBVMYMUYZJN-INIZCTEOSA-N 293.451 4.642 30 10 CJEE C=C1CCC(C[C@H](NC)C(C(C)C)C(C)C)CC1 724599316 GNVWNUNGVNBDEI-INIZCTEOSA-N 251.458 4.639 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C)CC[C@H]2CNC2CC2)CC1 724617194 OGXCWAFODWXKTI-SZMVWBNQSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cc(OC)cs2)CC1 724618989 UHBASMJMWXLXSY-INIZCTEOSA-N 293.476 4.934 30 10 CJEE Cc1c(C#N)sc2cccc(SC(F)(F)F)c12 725292445 WWLBFQSKWKEGNK-UHFFFAOYSA-N 273.304 4.693 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\C(C)(C)C 731890814 GQJXICAADHGFJK-HJWRWDBZSA-N 297.851 4.518 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(C)cc2c1CCCC2=O 821996248 GNKSZJRHINDTBA-GDBMZVCRSA-N 271.404 4.623 30 10 CJEE C=CCC[C@@H](NCCSC(C)(C)C)c1ccccc1 1168656221 APQDUYJFOIPHMU-MRXNPFEDSA-N 277.477 4.815 30 10 CJEE C=CCn1c(SC/C(Cl)=C\Cl)nc2ccccc21 1188053651 PAFASBBAJROZTC-CSKARUKUSA-N 299.226 4.633 30 10 CJEE C=CCCCC[C@H](C)NCC1CCC(F)(F)CC1 1205527230 SJWGACODCIAHRX-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCC1(NC[C@@H](C)c2ccc(C)cc2)CCCC1 1206680435 JTUQPLCNFBUMHB-MRXNPFEDSA-N 257.421 4.577 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H](CC)c1cccc(Cl)c1 1267310406 CYUSXJZDPJPBQA-HOCLYGCPSA-N 280.795 4.937 30 10 CJEE C=CC(C)(C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 1269563160 SMXQVOQWFITRIF-UHFFFAOYSA-N 291.700 4.510 30 10 CJEE C=C[C@@H](OC(=O)CCCc1ccc(C)cc1)c1ccccc1 1279069475 JKJMBLZCVUZEAD-LJQANCHMSA-N 294.394 4.788 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(-c2ccncc2)ccc1C 1292496482 KABHWILCFGGNEF-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CCCc1ccccc1NCc1cccc(OCC)c1 1308383046 UMDLFORHUHHWOW-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE C#C[C@@H](NC1CCC(C)(CC)CC1)c1ccc(Cl)cc1 1308796369 PRYWVCNCXINLMU-LXPRWKDFSA-N 289.850 4.963 30 10 CJEE C=CCN(Cc1cccs1)C(=O)[C@@H](CCC)CC(C)C 1350539326 RGBBOZJGPAHZLI-HNNXBMFYSA-N 293.476 4.725 30 10 CJEE C=CC(C)(C)CC(=O)NCC1CCC(CCCC)CC1 1351439243 LQMRNSGWKQNQFG-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1 1360576978 QAFJUZUBUPTUSG-KYHPRHEASA-N 286.415 4.714 30 10 CJEE C=CC1CCN(C(=O)[C@H](CCC)CC2CCCCC2)CC1 1456375789 NVGNCQHQJBISCI-GOSISDBHSA-N 291.479 4.798 30 10 CJEE C=C(C)[C@@H](N[C@@H](C)CC(C)C)c1ccc(F)c(F)c1 1459979159 HTLYPOSXZAAMFG-BLLLJJGKSA-N 267.363 4.606 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)Cc1ccc(C)cc1 1474623228 LOFQFBYAAGRRBD-UHOSZYNNSA-N 271.448 4.651 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCOC12CCCCC2 1474730142 OWBVXSREQCLMQJ-IRXDYDNUSA-N 279.468 4.593 30 10 CJEE C=CCc1ccc(OC(=O)CCCC(C)(C)C)c(OC)c1 1523212479 HBFLRDUHGHHXHA-UHFFFAOYSA-N 290.403 4.546 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](CC)C1CCC(C)CC1 1526896313 USOUHIMMVIWIIK-XGHPGWEVSA-N 279.468 4.700 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(C)C(C)(C)C2(C)C)c1 1539121298 FJPUATKLXSMYHF-UHFFFAOYSA-N 271.404 4.731 30 10 CJEE C=C1CC(C)(C(=O)N(CC)Cc2ccc3ccccc3c2)C1 1543460676 NAMBWEABVYVOJM-UHFFFAOYSA-N 293.410 4.545 30 10 CJEE C=CCCCN(Cc1ccccc1C(F)(F)F)C1CC1 1559487068 PQHQPPDJGGHPOY-UHFFFAOYSA-N 283.337 4.636 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCOc2ccc3ccccc3c2)C1 1560281755 ZDSGVQOWCPZQTK-QFBILLFUSA-N 295.426 4.553 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCCCCc2ccc(F)cc2)C1 1560446349 ILEXMEQDSXRJDH-PKOBYXMFSA-N 289.438 4.873 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@H]1c1ccccc1 1560853019 QYWVTKWQGPZMRP-IRXDYDNUSA-N 257.421 4.515 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 1585977429 IRWOJMAUCAYULG-ROUUACIJSA-N 295.357 4.601 30 10 CJEE C=CCCC(C)(C)NC(=O)c1oc2c(C)cccc2c1C 1588035467 GIDYKXVBIOHJGW-UHFFFAOYSA-N 285.387 4.524 30 10 CJEE C#Cc1cccc(N(C)Cc2ccccc2CC(C)C)c1 1615451129 LNFQLJWJIIPXOV-UHFFFAOYSA-N 277.411 4.503 30 10 CJEE C=CCCCCCN1CCC[C@](C)(c2ccccc2)C1 1615481156 IGSAXYPPIXGRDN-IBGZPJMESA-N 271.448 4.787 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)CC1CCCC1 1617465395 GMDFTVHVTDHLBC-KZNAEPCWSA-N 291.479 4.844 30 10 CJEE C=CC(C)(C)C(=O)N(C)C[C@H](CC)CCCCCC 1618726765 HYZAHTYOARAWBE-OAHLLOKOSA-N 267.457 4.654 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](c1ccccc1)C(F)F 1621577022 HLLITZPPPYHQPA-GJZGRUSLSA-N 267.363 4.717 30 10 CJEE CCCCCCCCCCN1CC[C@@H]2[C@@H](C1)C2(F)F 1642342039 YRNASXUWBFHHHL-HUUCEWRRSA-N 273.411 4.714 30 10 CJEE C=C(C)COc1cccc(NCc2sccc2Cl)c1 1647040991 ATEZFKGPMFVADN-UHFFFAOYSA-N 293.819 4.969 30 10 CJEE C=CCn1c(S[C@H]2CCCC[C@@H]2C)nc2ccccc21 1652390933 OFXSTZYJGXZFLF-BBRMVZONSA-N 286.444 4.893 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1sc(CC)nc1C 1652551052 XFOWDMREDIRJJL-HNNXBMFYSA-N 292.492 4.590 30 10 CJEE C#CCCCCCCN(CC)c1cc(C)cc(C)c1 1652720858 BUBKUQCNLHILIZ-UHFFFAOYSA-N 257.421 4.713 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(C)cc1)c1ccccn1 1653501191 YBKZAXZRTAZMPC-FQEVSTJZSA-N 294.442 4.815 30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(F)cc1C 1657918748 ADBBRLPQOXZIJK-UHFFFAOYSA-N 292.398 4.782 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(C2CC2)c(C)c1 1660848264 XBIZSFCZDUIBKH-UHFFFAOYSA-N 286.419 4.596 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H](C)CCC(C)C 1670659929 ZDWHVABVNLCKMJ-HNNXBMFYSA-N 288.435 4.751 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cccc(C(C)C)c1 1672729934 YLMUNETXCVUQBF-UHFFFAOYSA-N 288.435 4.924 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@H](CCC)c1ccccc1 1682632949 VMRIWOOBOAZZET-DOTOQJQBSA-N 288.435 4.572 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCOC1 1884311158 NYYVTUQARMCTLM-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc(Cl)c1C 1885230209 WKCLKWGJARKCKN-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE 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268.470 4.933 30 10 CJEE C=CC[C@H](CNCCC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225340914 RKPDWAGLRJAGCM-XWTMOSNGSA-N 263.469 4.785 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)Cc1cc(Cl)cc(Cl)c1 2225437253 UHHWJUWANAJVDX-HNNXBMFYSA-N 298.257 4.564 30 10 CJEE C=CCCCCOCCC(CC)(CC)CNCCC 2225665257 CFTFKPGYZFVVMG-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE C=CCCCCCCCN1CCC(C(C)(C)F)CC1 2227268907 UJRHESXKUUDYJL-UHFFFAOYSA-N 269.448 4.973 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@](C)(O)CCCCC 2227275558 YCUGNXZGOJUCPG-SJORKVTESA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCN1[C@H]2CC[C@H]1CC1(CC1)C2 2227285418 JZIBYOMTWCTNGZ-IRXDYDNUSA-N 261.453 4.920 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CC[C@H]1C)NN 2227981710 IXATZWOBSFZARD-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](N)c1ncccc1C1CC1 2228826254 UBUSDFPGLDNVHL-MRXNPFEDSA-N 260.425 4.709 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCCc2scnc21 2229774835 VQJFRIIYKZJUOL-CQSZACIVSA-N 278.465 4.589 30 10 CJEE CCCCCCCOCC1(CNC(C)(C)C)CCC1 2230225702 QEVRXWZAPPZWBH-UHFFFAOYSA-N 269.473 4.532 30 10 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273.203 4.938 30 10 CJEE SCC1(COCc2cccc(Cl)c2Cl)CCC1 2301345988 LRFONGTWVQNPMN-UHFFFAOYSA-N 291.243 4.610 30 10 CJEE CCCCCCCCCN[C@H]1CCC[C@@H]2CC[C@H]12 2309526571 KYLOBSVHDVRYQU-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CCC[C@@](C)(O)C[C@@H]1C[C@H]1C1CCCCCC1 2311548027 XPXRRINEVZSNAD-YESZJQIVSA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC[C@@H]1NCCC 2313651356 NAZJEBLBMQRZHG-HOTGVXAUSA-N 267.482 4.551 30 10 CJEE C=CCCCCCCCSC[C@H](N)CCC1CC1 2318292791 IYTKSMAFFJSHFL-MRXNPFEDSA-N 269.498 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@H]1C[C@@H]1C)NCCC 2321101724 LKDMBSKOWPVQTJ-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)C(F)(F)CC)NCC 2321133376 FWROSIZMSXNKJO-OLZOCXBDSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc(Cl)c1OC 2321173991 HKMYQDCTPNOUPF-HNNXBMFYSA-N 266.768 4.524 30 10 CJEE C[C@@H](OCC1(CS)CC(C)(C)C1)c1ccccc1 2321709755 GZLRLDAPKJMZSM-CYBMUJFWSA-N 264.434 4.500 30 10 CJEE CCC(=NOCc1ccccc1C)c1ccc(F)c(F)c1 2330282006 UNXBBAAMXVSAKB-UHFFFAOYSA-N 289.325 4.604 30 10 CJEE C=CC1(CN[C@H]2C[C@H]3CCCC[C@@]3(C)C2)CCCC1 2331887900 BJJOZICKWQMEKS-IKGGRYGDSA-N 261.453 4.681 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2334631561 VMUCKKDDCHVECS-XMOBOOAESA-N 262.437 4.844 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(CCC)cc1 2335203962 PUHJXNOEROYNNT-OAHLLOKOSA-N 257.421 4.811 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Nc1cc(C2CC2)ccc1Cl 2338126893 VSSLOSOAGLRGRL-HIFRSBDPSA-N 274.795 4.712 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1csc2c1CCCC2 2338733047 OFWLUOPUQWGESX-QGZVFWFLSA-N 275.461 4.656 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CCCCC12CC2)NC 2338746967 LVCDZKKLKCHFAJ-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[S@@](=N)(=O)CCCCCCC1CC1 2338765305 KAVNTYAGLUZKLT-IBGZPJMESA-N 283.481 4.914 30 10 CJEE C=C(C)CCCCCc1cc(F)c(F)c(OC)c1F 2339108665 QAHFTYPQVVZUIK-UHFFFAOYSA-N 272.310 4.792 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1ccc(F)cc1C1CC1 2339218690 DMZGADLIXBKDEB-PXAZEXFGSA-N 257.352 4.576 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C=O)CCCC2(C)C)c1Cl 2339316047 HWGSMKYFOXGIOK-MRXNPFEDSA-N 282.786 4.725 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2341885419 OUHUDKAADGILDW-GWCFXTLKSA-N 289.728 4.586 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2344383288 RSRMOPNSHYKPCN-FJIDUMEYSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2344468133 ZDEGCJXKYIIHNN-LBPRGKRZSA-N 292.728 4.995 30 10 CJEE CC[C@](C)(CCC=C(C)C)OC[C@@]1(CS)CC1(F)F 2351884901 BBNRPYHIGGYXOZ-ZIAGYGMSSA-N 292.435 4.873 30 10 CJEE C=CCc1ccccc1OC[C@](C)(CS)C(C)(C)C 2352096490 YBUMZLDMUJIZCJ-QGZVFWFLSA-N 278.461 4.776 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(C#N)c(SC)c1 2353829997 IBZZLYXTNOHEME-AWEZNQCLSA-N 275.417 4.794 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2354836239 UNSSTWBZMKLJAF-ZVDSWSACSA-N 284.390 4.843 30 10 CJEE O=CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCC2(CC1)CC2 2355582685 FDDUKBRXQNXKLJ-MJBXVCDLSA-N 282.374 4.597 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)[C@@]1(C)CC[C@@H](C)C1(C)C 2356377140 MEJRXQBAYQEFMU-SOLBZPMBSA-N 293.571 4.698 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H](OC)[C@@H]2C1 2357038433 YNDKDCXBIGAOKO-XWTMOSNGSA-N 281.484 4.660 30 10 CJEE C=CC[C@@](C)(NC[C@@H]1C[C@H]1C1CCCCCC1)C(F)F 2357745603 IBUCOOJJQLXJFN-YQQAZPJKSA-N 285.422 4.782 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(F)cc1)[C@H](N)CC 2360198192 FABKICRCAKHWLR-IAGOWNOFSA-N 293.451 4.858 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1cccs1 36922279 AHLXXQOKJLSTSI-GFCCVEGCSA-N 270.401 4.722 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccccc1F 36954464 XKOYKPLLLQSFQV-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCc3ccccc32)cc1Cl 36963956 RDJLHCDIKWFCAU-QGZVFWFLSA-N 282.774 4.701 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SC(C)C)C1 37685720 LGYCMEXGNPUUPO-BFHYXJOUSA-N 253.455 4.873 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(C(F)(F)F)cc1 37937971 QURISVMFLKDQML-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE CCCCCC/C=C/CCCCCCCC(N)=O 43284829 YRPQTVNCCVPGFA-BQYQJAHWSA-N 253.430 4.729 30 10 CJEE CCCCCCCNc1ccc(F)cc1Br 59089251 ZILRXOYRVUDSKB-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE CCCCCCCCn1ccc2c(C(=O)O)cccc21 59203475 FLNZOXJGUVSABJ-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cc(Cl)ccc1F 70138320 SQNKUKNCLRZTFT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE Cc1ccc(Cl)cc1-c1cc(C#N)c(C(C)C)o1 77079088 WYCAIELQBOVNBZ-UHFFFAOYSA-N 259.736 4.904 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(CC2CC2)C2CC2)C1 80369180 POWAONCYGHKXHZ-SOLBZPMBSA-N 288.479 4.605 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Br)cs2)C1 83791909 PEFNDQYCQKAEFT-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC(C)CSCc1nc(-c2ccc(C#N)cc2)cs1 87125592 UICSZYMFSVNUOF-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cccc2Cl)cc1 88170998 NJWOOLYVUNKCAW-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE Cc1cccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)c1C 91882979 OBNLJFKZGQMZNY-CUYAVPTFSA-N 285.431 4.693 30 10 CJEE Fc1cc(F)cc(OCC2(CS)CCCCCC2)c1 94585148 QUNPJHIETZOMMP-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE N#Cc1ccc(Cl)c(NC(=O)CCC2CCCCC2)c1 94820377 OJFGMBHXCSMTQY-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1(c2ccccc2)CCC1 97208713 CYCKUPCTBQXZJE-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCCCSCc1ccccc1C(=O)O 104723806 LTRASMYCUHWODU-UHFFFAOYSA-N 266.406 4.588 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc(Br)c1 109706017 NTWNOZNTPJQPGB-OAHLLOKOSA-N 298.268 4.984 30 10 CJEE CC[C@H](C)c1ccccc1Oc1nc(C)cc(C)c1C#N 110261333 BOJIWKLDEMXKPN-LBPRGKRZSA-N 280.371 4.876 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(C(F)(F)F)cc1 113083356 WYBYIHPRJRBUNX-HNNXBMFYSA-N 287.369 4.936 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(OC)ccc1OC 115651076 ISVMUTJCXXKJPE-KRWDZBQOSA-N 294.435 4.878 30 10 CJEE CCCCCCCCCNCCC(C)(C)CCC(=O)O 115731849 FIZDNJMZIUJMER-UHFFFAOYSA-N 285.472 4.608 30 10 CJEE CCCCCCCCCCNCC1(O)CCCCCC1 115790103 GATHXTCRFHLKRZ-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE CCCCCCCCCC(=O)[C@H]1Cc2ccccc2O1 125962225 HSNGKNHNGSGGFY-GOSISDBHSA-N 274.404 4.700 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1F 127212689 QAEJBNJXIAYNEV-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCCC(CCC)Nc1ccc(Br)cc1C#N 132185814 BTVWLSCFQSALLN-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE Cc1cc(Cl)cc(C(=O)[C@H](C#N)c2ccc(C)c(C)c2)c1 133970252 QYEDZKJDYCXGSR-QGZVFWFLSA-N 297.785 4.755 30 10 CJEE CSc1cccc(N[C@H](C)CCC(C)C)c1C#N 136668021 XUUHQASGEPIDSR-GFCCVEGCSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCC[C@H](N)c1cccnc1OC 143412417 WQKDSSRNTJVODP-INIZCTEOSA-N 278.440 4.621 30 10 CJEE N#CC1(Cc2cc(F)ccc2[N+](=O)[O-])CCCCCCC1 156746596 DTVPWPVDRUZTCM-UHFFFAOYSA-N 290.338 4.531 30 10 CJEE C=CCN(c1ccc([C@H](C)NCC)cc1Cl)C(C)(C)C 162270994 QQGAYZRJIRIOAB-ZDUSSCGKSA-N 294.870 4.801 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](OC)C1CCCCC1 162982712 HMDRRFFXWQNSKU-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE C[C@H]1CC[C@](C#N)(Nc2ccc(F)cc2)c2ccccc21 163862100 ZATHVKOKTOSTGA-SCLBCKFNSA-N 280.346 4.554 30 10 CJEE COc1cccc(CC2(C#N)CCC(C(C)C)CC2)c1F 166638489 AGDLQQFHCZTGGM-UHFFFAOYSA-N 289.394 4.733 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CCO[C@H]1C1CC1 168357681 SGTZNFIIGXGSME-RBUKOAKNSA-N 293.495 4.674 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CCC)CC[C@H]1CNCCC 227526145 CNTLSVVSCYFEJL-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](O)c2cc(F)ccc2O1 229359412 CLRZZBYPUPEOIS-RDJZCZTQSA-N 280.383 4.761 30 10 CJEE N#CC[C@H](Nc1cc(F)cc(Cl)c1)c1ccccc1 230004566 YWIKHSXCSWKEFP-HNNXBMFYSA-N 274.726 4.546 30 10 CJEE CC1(C)CC[C@H](Nc2ccc(C#N)c3ccccc23)C1 232818487 AILMYJLUBDXMHQ-AWEZNQCLSA-N 264.372 4.702 30 10 CJEE Cc1occc1Sc1ccc(C(F)(F)F)cc1C#N 235854870 AXTLKCOPLISETN-UHFFFAOYSA-N 283.274 4.630 30 10 CJEE C=CCCCCC[C@H](O)c1cc(F)c(Cl)cc1F 236537417 OFFPRCNEKXGCCM-AWEZNQCLSA-N 274.738 4.788 30 10 CJEE C[C@@H]1CCC[C@H](S[C@@H]2C[C@H](C)CC[C@H]2C#N)C1 251937694 VUPCRGYBHGWFML-NIFZNCRKSA-N 251.439 4.627 30 10 CJEE N#Cc1cccc(N=Cc2ccc(Cl)cc2Cl)c1 252462732 VTQMSPXLYCDFMO-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE CCC[C@H](C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307899994 XUUHZPABFKYQAW-BXUZGUMPSA-N 286.202 4.531 30 10 CJEE C=CCCC[C@H](NC)c1ccccc1OCc1ccccc1 310025883 UUAYOECCAAMLPX-IBGZPJMESA-N 295.426 4.882 30 10 CJEE CCCCCCC[C@@H](C)NCC1(OCC)CCCC1 311899907 PQIJIGRETOYKRW-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(n1)CCCC2 312669149 BIVHYFJPFLCZSD-INIZCTEOSA-N 274.452 4.711 30 10 CJEE CCC[C@](O)(C1CC1)C1(C#N)CCC(C(C)(C)C)CC1 312779871 DFYLOXPFLPZWGT-UYJHFMRCSA-N 277.452 4.674 30 10 CJEE CC1CCC(C=O)(Cc2ccc(C(F)(F)F)cc2)CC1 316601709 HQAMIKCJIOZSSD-UHFFFAOYSA-N 284.321 4.643 30 10 CJEE CC[C@H]1CCCC[C@H]1[C@@]1(C=O)CCC[C@@H](CC)C1 316844333 NDIFHQSQWQBENN-TWMKSMIVSA-N 250.426 4.988 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2C[C@H]3CC[C@H]2C3)CC1 316911302 VMUCKKDDCHVECS-YJNFJTPFSA-N 262.437 4.844 30 10 CJEE Cc1cc2ccccc2nc1[C@@]1(C#N)CCC[C@H](C)C1 380571671 IBFQUVZZGZUZDU-UGSOOPFHSA-N 264.372 4.515 30 10 CJEE CCO[C@@H]1C[C@@H](C2(C#N)CCC(C(C)C)CC2)C1(C)C 381019436 BNHLPVUZNKGEAM-GARNVTTQSA-N 277.452 4.794 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccccc1C(F)(F)F 384861617 MZAPHOCLLMVJPP-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCN(CC)C1 389303035 DZKDXBHWGOPRIG-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CC(C)c1cccc(N=C2N[C@@H](C(C)(C)C)CS2)c1 393994895 AYDLARWLWKCPGK-CQSZACIVSA-N 276.449 4.549 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](C2CCCC2)CS1 395413134 IWXAMHUMUZCZRP-ZFWWWQNUSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@H](N)C1(C)C 405297394 PRFXXGQQXJBCBV-HOCLYGCPSA-N 257.437 4.983 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C1CCC1 457759073 VHYLCLIWUVPPBJ-AWEZNQCLSA-N 285.431 4.913 30 10 CJEE CN(CCCCC(C)(C)C#N)C(C)(C)c1ccccc1 585754309 HBECMEOLZXZTAC-UHFFFAOYSA-N 272.436 4.574 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc(F)c2ccccc12 642882820 WNZDBCQVBDCTMW-RAXLEYEMSA-N 276.310 4.875 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@@H](OC)C1 686347857 CBZPPFFQRWGBDH-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)cc1C 686702842 RWQFDYFFJMJTJQ-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CC#CCCC1(CNC2CC2)CC(C)(C)CC(C)(C)C1 688027847 DQJZVHOKFCMXLL-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)c1cc(Cl)ccc1C#N 691053738 AAODXNQJBGLVSK-SWLSCSKDSA-N 276.811 4.617 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H]2C[C@H]21 691686256 WSBGZVIIPZOCPQ-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2ccccc21 692193083 QUEBPFJBHJMEDE-JSGCOSHPSA-N 272.417 4.632 30 10 CJEE Cc1ccc(C#N)c(N[C@H](C)CC2CCCCC2)c1 694649481 SUQJIXRJSBBHED-CQSZACIVSA-N 256.393 4.638 30 10 CJEE C[C@H](CC(C)(C)C#N)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 695872160 NVHCFTPLYAMKHD-VMUDFCTBSA-N 263.425 4.546 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1ccccc1Br 695888799 ABBBEXMBDSRDKE-SNVBAGLBSA-N 298.249 4.870 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](CC(C)(C)C)NC 695956053 HUTGKFPFXQBCOL-SJORKVTESA-N 285.516 4.902 30 10 CJEE C=CC(C)(C)CCNCc1cccc(Cl)c1Cl 701920741 RLPVPCUFGFEADG-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CC1(C)CC(CNc2ccc(C#N)c3ccccc23)C1 701978900 ZAEGYBWIEGVVCD-UHFFFAOYSA-N 264.372 4.560 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCCSCC1 702022394 CXQQCADMPAMJCW-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C=CCCC[C@H](C)NCc1csc(C(F)(F)F)c1 703337442 RTGVEWJCRMJSAA-JTQLQIEISA-N 277.355 4.601 30 10 CJEE CCCCCCCN[C@H]1c2ccccc2CC1(C)C 703770053 GELIKGGWVZHDTD-KRWDZBQOSA-N 259.437 4.870 30 10 CJEE CCCCCCCCC[C@]1(N)CCCSCC1 704927663 JFKVUEPHOCEYCC-HNNXBMFYSA-N 257.487 4.742 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1cccc(Cl)c1F 704937462 VNKBKDGXFSACTB-MDZLAQPJSA-N 265.759 4.913 30 10 CJEE C=C[C@H](C)O[C@@H]1CCCCCCCCCC[C@H]1NCC 706075150 VBHHYPGNFYVNEQ-RCCFBDPRSA-N 281.484 4.839 30 10 CJEE Cc1cccc(N[C@@H]2CCCCC[C@@H]2C(C)C)c1C#N 709253049 YMODZYSDNNUCIM-NVXWUHKLSA-N 270.420 4.884 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](CNc2cc(Cl)ccc2C#N)C1 710067697 PKMLOWLGTIZTDE-ITGUQSILSA-N 276.811 4.696 30 10 CJEE CC(C)CCC/N=C1/NC2(CCCCCCC2)CS1 713284315 IQOTZLUGMVUQBF-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716521706 XAMGINZUMWCIHJ-HHARLNAUSA-N 252.442 4.780 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716637418 LYCRMAGLARKNAK-XAJHFOFHSA-N 251.458 4.617 30 10 CJEE CC(C)(C)CSc1ccc(CNC(C)(C)C)cc1C#N 718742086 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280.452 4.613 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1cccc(OC)c1 2235524125 NBSXWKMNXBABFF-SFHVURJKSA-N 275.436 4.786 30 10 CJEE Cc1sc([C@@H](O)[C@]2(C#N)CCCC23CCC3)c(C)c1C 2236831908 AJWLMHXFVLJLLC-NVXWUHKLSA-N 289.444 4.571 30 10 CJEE CN(c1ccccc1C#N)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2238157738 PGHYPGRHYNVLRO-HZPDHXFCSA-N 270.420 4.599 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CCC)CC1CC1 2240561956 DUFMBEGNEPOEHC-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCCC[C@H](C)C1 2240564131 AOACWIPWWHNNHX-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ncnc2cscc12 2240619786 LQDZRMVTUUKKRK-MRXNPFEDSA-N 292.448 4.649 30 10 CJEE N#CC1(Cc2cccc3ccoc23)CCC2(CC1)CC2 2241211276 RVMZFDABYARTPI-UHFFFAOYSA-N 265.356 4.839 30 10 CJEE CC1(C)CC(CSC[C@H](CS)CC2CC2)C1 2243626948 MCDOYWMGWSOWAM-LBPRGKRZSA-N 258.496 4.502 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(Cl)cs1 2245448425 CLQKNNFJHVMXFC-ZDUSSCGKSA-N 259.846 4.936 30 10 CJEE SC[C@@H](CSCCC1CCC1)c1ccccc1 2249296266 IPDMPFQWCINSFI-HNNXBMFYSA-N 266.475 4.623 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(Cl)o1 2250157009 QZGZACOQAZBSAN-GFCCVEGCSA-N 255.789 4.720 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C)ccc1Cl 2250167028 OEENVRHMJSWFAL-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE C=CCCC(C)(C)CNCc1cc(C)ccc1Cl 2256230798 KPNVMBVTXZZDEW-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE C[C@H]1CC[C@H](CSc2cc(Cl)c(F)cc2C#N)C1 2256676701 YWSUANZKPRYUIY-UWVGGRQHSA-N 283.799 4.879 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@]1(C#N)CCC(F)(F)C1 2257314761 ZQDVLSBCZXTEHU-MCIONIFRSA-N 255.352 4.922 30 10 CJEE C=C(C)CCCC[C@]1(N)CCC[C@H](C(F)(F)F)C1 2259188986 YLRPWWWQYCBFBM-STQMWFEESA-N 263.347 4.573 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1cc(F)cc(Cl)c1 2259212648 ZLIVATORSJNBAQ-HNNXBMFYSA-N 269.791 4.790 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]12CCC[C@@H]1CC2 2260500509 KUGXCULHTJWCBU-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=CCC[C@@H](C)c1cc(OC(F)(F)F)ccc1F 2261004307 QBGCFLQPGABFJN-SECBINFHSA-N 262.246 4.794 30 10 CJEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)s2)CCC1 2263300728 BUFPXXNWROEPMI-VIFPVBQESA-N 275.339 4.513 30 10 CJEE C=C([C@@H](O)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2263310744 PFSOFDLCZXHSBJ-SNVBAGLBSA-N 294.414 4.542 30 10 CJEE N#Cc1ccc(OCC2CC3(CCCC3)C2)c(Cl)c1 2265237627 ANFFRAZXIYKEQF-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE C=C[C@@H](C)C[C@@H](CC=CC#CC(C)(C)C)NCCC 2268832751 ULEXJSZBEGPXKU-IAGOWNOFSA-N 261.453 4.563 30 10 CJEE CCCCCCCCC(=O)c1cn(C(F)F)c(C)n1 2269452099 SVBMWJJCNXOSFG-UHFFFAOYSA-N 272.339 4.520 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2273948525 DSMUZCJGAZSJBM-OLZOCXBDSA-N 287.419 4.875 30 10 CJEE C[C@@](N)(C#CC1CCCCC1)c1c(Cl)cccc1Cl 2273982620 OMQFJRFEXITQBI-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)CC#CC2CCCC2)CC1 2274132978 UTHMTNZOMPITLP-KBAYOESNSA-N 262.437 4.538 30 10 CJEE CCCCC#CCN(C)[C@@H]1CC(C)(C)CCC1(C)C 2274554218 YRZDFQFHKNXUAU-MRXNPFEDSA-N 263.469 4.717 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@@H](C)CC(C)C 2276158270 HZOFBWAKIXFFKS-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@](C)(CSCCC)OCCCN 2276737953 JDFKBEGLOSYKCE-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C 2278242150 HVROZRGWYJGAAV-MWDXBVQZSA-N 269.473 4.671 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(OCF)cc1 2278494267 RLCCVZLUQIALHX-MRXNPFEDSA-N 267.388 4.527 30 10 CJEE C=CCCCCCCC[C@H](Cc1cnsc1)NCCC 2280194313 AAPFOLLWCRUVHF-QGZVFWFLSA-N 294.508 4.971 30 10 CJEE CCCCCC[C@H](C#Cc1ccccc1F)NCCC 2281378916 SAMUULIZEDAEQX-QGZVFWFLSA-N 275.411 4.516 30 10 CJEE CC(C)=C1CC[C@H](C)C[C@]1(N)CC=CC#CC(C)(C)C 2284101582 UMMVGTNFIHEVTN-QFBILLFUSA-N 273.464 4.836 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@]1(C)CC1(C)C 2284102315 DUBYHNVTDQUJEH-LPHOPBHVSA-N 275.480 4.787 30 10 CJEE CCC1CCC([C@@H](CC=CC#CC(C)(C)C)NC)CC1 2284105056 JFPXIIUMELDYHO-DAWZGUTISA-N 275.480 4.787 30 10 CJEE C[C@H]1CC[C@](C=O)(CCCCCCCCCCCO)C1 2286832752 XROZYGYVBRYQMA-ZWKOTPCHSA-N 282.468 4.885 30 10 CJEE Cc1ccc(SCC2(C)CC(C(F)(F)F)C2)c(C#N)c1 2287314446 RKJHAPAAKOOZCZ-UHFFFAOYSA-N 299.361 4.937 30 10 CJEE C=C(C)CCCCC(=O)[C@@H](O)C(C)(C)C1CCCCC1 2287375149 LWTSPQWWIOZRKI-QGZVFWFLSA-N 280.452 4.659 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1coc(C(F)F)n1 2287408315 HKJPGGUFWHXUBK-LBPRGKRZSA-N 286.366 4.789 30 10 CJEE C=C(C)CCCC[C@@H](O)Cc1cccc2ccccc12 2287471207 YZUWOIXCLKAVNT-GOSISDBHSA-N 268.400 4.880 30 10 CJEE C=CCOC1CCN(CC[C@@H](C)CCCC(C)C)CC1 2287860310 BNOGBROFYUSNEZ-KRWDZBQOSA-N 281.484 4.506 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@H]2CC3)CCCc2ccccc21 2289130012 BKZGUELWNMGDNE-YTQUADARSA-N 265.400 4.755 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@H]1CCC[C@H](CC)CC1 2289706808 QUYQPGNSWOYVON-YTQUADARSA-N 275.480 4.765 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@]2(O)CC(C)(C)CCC2(C)C)C1 2290263641 AMACPAQDQBAEGF-FHLIZLRMSA-N 277.452 4.674 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)C[C@@H](C)CC[C@@H]1C 2292772328 UVGKKBGWAAXYPO-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCCN)C1CCC(C)CC1 2293134278 JJSGSJZYESUFSU-JYSRZZCRSA-N 281.484 4.539 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)c1ccc(C)cc1Cl 2293138032 GYPUPUBCHYQOCS-RHSMWYFYSA-N 295.854 4.657 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@H]2CCCC[C@H]21 2293699663 KCPNHLHCRGLULO-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@]1(OCCN)C[C@@H](C)CC(C)(C)C1 2294034296 YCHZKHHSPQGTTC-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1CCC(C)CC1 2294158845 YGOFVNSPLBRKAK-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@H]2[C@@H](C1)C2(C)C 2294357470 SWKPXOGLELUEBG-ALXJQNPVSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCC[C@H]1CC 2295521555 CQWJRILGDBDRKB-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NCC)C1CCC1 2295678464 YTHHZWMYDALPJZ-ROUUACIJSA-N 283.500 4.656 30 10 CJEE C=CC1(C[C@@](O)(c2ccccc2)C2CCCC2)CCC1 2295715290 VKMSDRSPOGDDAZ-LJQANCHMSA-N 270.416 4.811 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)s1 2298930337 KQAMSNLIBCVBEG-RYUDHWBXSA-N 269.479 4.693 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)c(CNC(C)C)s1 2298941314 CGNJGNCQJLRATM-GFCCVEGCSA-N 269.479 4.611 30 10 CJEE CCCCCCCCCN(C)[C@H]1CCC[C@@H]2C[C@H]12 2311208334 UDJZVANXXNHFLH-IKGGRYGDSA-N 251.458 4.857 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(C)sc1C 2315464852 GEGUZDRCQIYPIB-XPKDYRNWSA-N 263.450 4.760 30 10 CJEE CC[C@](C#N)(Cc1ccc(F)c(C)c1Cl)C(C)C 2317098441 AYSYQUAWUQXFES-OAHLLOKOSA-N 267.775 4.906 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cccc2ccsc12 2319254126 ADVPUKSIAGHDDA-HUUCEWRRSA-N 257.402 4.518 30 10 CJEE CC1(C)C[C@]1(C#N)CCCCC(F)(F)C(F)(F)F 2319581697 BBKCYSFGWFYFBW-JTQLQIEISA-N 269.257 4.684 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(Cl)cc1Cl 2321095524 JRNCMECNGVMRHO-GJZGRUSLSA-N 286.246 4.856 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C(C)(C)C)C1)NC 2321137393 JVTZVLPBCIOZHQ-NRXISQOPSA-N 251.458 4.639 30 10 CJEE CC[C@@H](OC[C@H](CS)CC(C)C)c1ccccc1 2328524186 XQHDGJCHAKCMNI-GDBMZVCRSA-N 266.450 4.746 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 2332714370 GPMQYJQYBMVOAR-RRQGHBQHSA-N 260.421 4.764 30 10 CJEE SC[C@@H](COC[C@@H]1C[C@H]1C1CCCCCC1)C1CC1 2332864867 IRLOWCHKFZQJOW-BBWFWOEESA-N 282.493 4.566 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CCC2)[C@H]1NC 2335096746 QBZXIUXGZGEQME-HOTGVXAUSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N 2335201083 QXCWLZZKBDVPEZ-NUEKZKHPSA-N 281.509 4.783 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1CN 2335229035 GNONWUYTCUOFKJ-CAOSSQGBSA-N 283.525 4.864 30 10 CJEE C=C(Cl)CON[C@@H](c1ccccc1)C1CCCCC1 2335347277 OWQXJBWZJGZLCB-INIZCTEOSA-N 279.811 4.582 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(F)c(F)cc1Cl 2338730810 UMNIGVVDIBNRQI-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE COc1c(Cl)cc(C[C@@]2(C#N)CCC[C@@H]2C)cc1Cl 2339971465 PRRUGUNGJNGZMF-ZUZCIYMTSA-N 298.213 4.874 30 10 CJEE C=CCCCCCCCC[C@H](CCCCOC)NC 2340962033 DNEZUDHAPWUKEA-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(C(C)C)cc1)NCCC 2341929353 OGDVYZMHOXDKLX-SFHVURJKSA-N 259.437 4.687 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COCC1(CS)CCCCC1 2343126771 GGAPHVAOVQCYME-LSDHHAIUSA-N 284.509 4.956 30 10 CJEE C=C[C@H](CCCCC)OC[C@@](C)(CC)CNCCC 2343217683 NZHFWEUBMYLPNJ-SJORKVTESA-N 269.473 4.554 30 10 CJEE CCCCCCCCN(C)CCc1cccnc1Cl 2351851448 JSCGZYVYJOQEHQ-UHFFFAOYSA-N 282.859 4.570 30 10 CJEE C=CC[C@H](C)S[C@](C)(C(=O)O)[C@H]1CCCC(C)(C)C1 2352033800 HNMHRMMWKSQTFW-XEZPLFJOSA-N 284.465 4.744 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)C[C@@H](CC)CCC 2353453070 DCQUGAKKSWOOOK-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(F)cc1SC 2353838587 WTWFEHWGUREHSB-DOMZBBRYSA-N 279.424 4.555 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1 2357695968 IFWRSQSZJQNGSP-IPMKNSEASA-N 269.432 4.504 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)[C@@H]1C[C@H]1C1CCCCC1 2357826131 BHJDCHPAYOKMJB-MHORFTMASA-N 277.452 4.674 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1CCCCC[C@H]1N 2358322965 ZQWXPHGRGMEFQF-RCCFBDPRSA-N 281.484 4.562 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H]1C[C@@H]1C)OCCCN 2360037918 MTBWLQAZBOHQAM-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)C[C@@](C#N)(NCCC)C1 2360329743 GQYXQASHERJPLE-MWDXBVQZSA-N 294.508 4.525 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H](C)CC1CC1 2360372655 VCXZMEFDRBMEPA-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE N#CC1(c2c(F)cccc2Cl)CCCCCC1 20429388 XNNKEPBKHFKCRY-UHFFFAOYSA-N 251.732 4.595 30 10 CJEE CC(C)C[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 21009700 IUCQEECGBRYWSU-GOSISDBHSA-N 264.372 4.758 30 10 CJEE N#Cc1cnc2ccccc2c1Nc1ccc(F)cc1Cl 36913302 DUKCRTVGOHSZKM-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE N#C[C@H](Nc1ccccc1)c1ccc2ccccc2c1 37935268 JGDHRCOGMMYXNO-SFHVURJKSA-N 258.324 4.517 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048370 RDTGWROSAJZECW-RRFJBIMHSA-N 299.443 4.893 30 10 CJEE CC(C)c1cccc(OCC[C@@H](C#N)c2ccccc2)c1 57684629 LRNJLJFGXRXXAE-SFHVURJKSA-N 279.383 4.886 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)c1cccc(F)c1 73169173 GNQARCVLQWXNTM-QGZVFWFLSA-N 280.383 4.569 30 10 CJEE CC(C)n1c(C[C@@H](C)C(C)(C)C)nc2cc(C#N)ccc21 86636423 XPVMFPRATMOHRC-CYBMUJFWSA-N 283.419 4.714 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCCOc2ccccc2)C1 87930300 OYVOWCYFZWNILZ-WBVHZDCISA-N 257.377 4.566 30 10 CJEE Cc1ccccc1[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91882313 HFQJVAMGFCGLNM-URSIVYNOSA-N 285.431 4.775 30 10 CJEE CCCCCC[C@H](C)O[C@H]1CCC[C@@](C#N)(NC(C)C)C1 93745089 BERLBDIVWWVURM-OKZBNKHCSA-N 294.483 4.565 30 10 CJEE C=C(C)CC[C@H](N)c1cccc(OCc2ccccc2)c1 97419611 NXMKIGISBWNPIE-IBGZPJMESA-N 281.399 4.622 30 10 CJEE CCCCCCCCCC[C@H](N)CC(F)(F)F 109729120 JMXMGNPMLJVTDW-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)ccc1OCC 109791731 SSYOOKGENGCHRN-INIZCTEOSA-N 264.409 4.788 30 10 CJEE CCCCCCC[C@H](Nc1ccc(C)cc1)C(=O)OCC 110318681 FDOHWTGEZGOTAI-KRWDZBQOSA-N 291.435 4.699 30 10 CJEE CCCCCCCCCN(CCC)[C@](C)(CC)CN 110464611 RLLRRRNRPGLEOS-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CCCCCCCCCCN1CCC([C@@H](C)NCC)CC1 111708897 LQNAQBSEFPVTBU-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccccc1N 113670244 UOWJUCFAOONABW-QGZVFWFLSA-N 263.425 4.833 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCc2ccccc21 115051318 KTNKXCOIUQLGOK-ZWKOTPCHSA-N 259.437 4.794 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@]1(C)C1CC1 115250425 QPILIABLCDCERY-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](CCOCCC)NCC 139436313 FQKKCJJAFWXSMP-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCC[C@H](CCOCCC)NC 143415404 ROFRMVJSCIPQSH-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=C[C@](C)(CCCc1ccccc1)CNC(C)(C)C 158900468 CCYFFJNUBKZWPZ-GOSISDBHSA-N 259.437 4.590 30 10 CJEE C=CCCC[C@H](NCC)c1ccccc1C(C)(C)C 167714967 VRRLDEOEQZHGGZ-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCCCNc1ccc(C#N)cc1F 168321110 UBBXDZXZWFQNLL-UHFFFAOYSA-N 262.372 4.860 30 10 CJEE CCCCCCCC(=O)O/C(C)=C/c1ccccc1 200027756 FBXDTUZGMFIHBF-CCEZHUSRSA-N 260.377 4.951 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](C)CC2)C1 216819313 NMOYCQUYBLLMNM-ZJPYXAASSA-N 290.495 4.853 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1 229752676 LYVSZHMYLQFIIO-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cncnc1 229827551 FHGPCXWFFCNJOA-QGZVFWFLSA-N 277.456 4.787 30 10 CJEE CC(C)c1ccc(CC(=O)C2=CC[C@@H](C)CC2)cc1 232756589 MQCMQUKNGBGTGJ-CQSZACIVSA-N 256.389 4.668 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)CC(F)(F)F 232949151 VXNNSUMSMYUQGB-NWDGAFQWSA-N 253.352 4.666 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@](C)(CC)OCC 233164063 FOXGUYXINZGNCP-SJORKVTESA-N 269.473 4.696 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)[C@H]2C)c1C#N 252806437 CBFGVQMYXVWGPP-YRGRVCCFSA-N 274.433 4.517 30 10 CJEE Clc1ccc(C=Nc2ccccc2)cc1Cl 254863605 XBJFNRAUKOYRSB-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE CC[C@@H](C#N)c1cc(Br)ccc1C(C)C 260850636 HJTXQTNTPGZUQO-JTQLQIEISA-N 266.182 4.590 30 10 CJEE CC(C)(C#N)C[C@@H]1CCC[C@@H]([C@@H](F)C(F)(F)F)C1 261038148 CHPMBIJTRRALAP-GMTAPVOTSA-N 265.294 4.633 30 10 CJEE C=CCCCCCSc1ccc(C(OC)OC)cc1 300256155 FFIASJPNLOYMLA-UHFFFAOYSA-N 280.433 4.817 30 10 CJEE Cc1cc(Cl)ccc1N[C@@H]1CCCCC[C@H]1C#N 305982819 MMPKMUSKBQGAIK-SWLSCSKDSA-N 262.784 4.533 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cncc(Cl)c1 307949699 GKSRHFNCDIKIBQ-MRXNPFEDSA-N 280.843 4.912 30 10 CJEE CCC1CCC(C#N)(c2c(Cl)cccc2[N+](=O)[O-])CC1 312431758 LVYRCHSZOGBFDW-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)CCCO1 315227014 QFFPHUMNPCDKMN-QGZVFWFLSA-N 269.473 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2)C1 317306181 NHDSVAHNTMARND-CJNGLKHVSA-N 264.796 4.668 30 10 CJEE C=CCCC[C@]1(CNC(C)C)CCCc2ccccc21 317667498 VFKUYYBNBGZFBT-LJQANCHMSA-N 271.448 4.615 30 10 CJEE C=C([C@H](CCCc1cccs1)NCCC)C(F)(F)F 382399372 XAYMNKGMFKNUTI-ZDUSSCGKSA-N 291.382 4.558 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@H](O)C1CCC(C(C)(C)C)CC1 384761397 ANSUMAYDQCQJAA-AWQOMJGESA-N 277.452 4.530 30 10 CJEE C=CC(C)(C)CNc1nc(Cl)nc2sc(CC)cc12 384918235 FYSMAWUNJDRLLQ-UHFFFAOYSA-N 295.839 4.531 30 10 CJEE CCCCCCCCC(=O)CC1(COC)CCC1 386612589 MTTUWBBNRJPBKN-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE C[C@H](C[C@]1(C#N)CCCc2ccccc21)C1CCC1 398703350 KTBPAFYBPNZGOS-KDOFPFPSSA-N 253.389 4.611 30 10 CJEE CCCCCCCCCN1CCC(CCC#N)CC1 399363779 HKBZAQINIPKZRD-UHFFFAOYSA-N 264.457 4.753 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@H]2CNC[C@@H]2C1 400927343 MSIHMKWKAZLUDH-ULQDDVLXSA-N 269.448 4.855 30 10 CJEE C=CCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCCC 403474291 UWGVDJDLZARENC-YESZJQIVSA-N 281.484 4.552 30 10 CJEE C=C(C)CCS[C@@H](C)C(=O)Nc1ccccc1C(C)C 507825630 UKAJKXPCBNZCCZ-AWEZNQCLSA-N 291.460 4.836 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1CNCC(C)C 686696177 WJUKYRKYMBDUMN-IPMKNSEASA-N 277.496 4.868 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H](CC)CC(C)C 686696334 ZRJIDXZYYFPVNL-SJORKVTESA-N 251.458 4.621 30 10 CJEE CCc1ccc(Nc2ccc(C#N)c(C)c2)cc1Cl 691226350 BBRYXKALOBGIRQ-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE C#C[C@H](CCC)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 692315590 WAWXHMDILAIQGD-GXSJLCMTSA-N 288.193 4.585 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](OC)C1CCCCC1 695113595 MKGXUBIELBSKRL-FUHWJXTLSA-N 283.500 4.920 30 10 CJEE CCCCCCCNC1CCC(C2CCC2)CC1 695906686 CCMSFSGCBUFNQX-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCCCN1C 700125493 KYIPNBGTWYZWJK-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC(=O)CNCc1ccccc1 701223846 RJLJJWIPDQHMDB-UHFFFAOYSA-N 289.463 4.876 30 10 CJEE C=CC(C)(C)CCNC1CCC(c2ccccc2)CC1 701895231 CDDWEMBPKDJUKF-UHFFFAOYSA-N 271.448 4.905 30 10 CJEE C#C[C@H](N[C@@H](CCCCC)c1ccccc1)C(C)(C)C 702250854 MWIUVJQLUILVGT-ROUUACIJSA-N 271.448 4.946 30 10 CJEE C#C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(C)(C)C 702293073 HMNGGWTWCJNSAQ-UKRRQHHQSA-N 293.863 4.514 30 10 CJEE CCCCCCCCCCCc1ncc(C=O)o1 703731681 FBAQLEIOMAJGJM-UHFFFAOYSA-N 251.370 4.560 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCC(C)(C)C2)C1 708584591 RCTLCZFATKTBQU-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(F)c(C(F)(F)F)c1 710616425 RNURJTLPQCMRCJ-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C)c(Cl)c1 710640927 KMLXCXBMYQIRIP-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C=C(Cl)CC1(CNC2CC2)CCCCCCC1 710659341 JBHQLXVIIWVEJD-UHFFFAOYSA-N 255.833 4.612 30 10 CJEE CCCCCCC[C@@H]1[C@H](NCCC)CCN1[C@H](C)CC 712184596 KCSNCGNGFKXQLA-KZNAEPCWSA-N 282.516 4.588 30 10 CJEE Cc1ccc(N=C2NC3(CCCCCC3)CS2)c(F)c1 713208381 RPTIUPZERDNLLP-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1scc(C)c1Cl 715720221 NJHNNTSEHSGAAN-MFKMUULPSA-N 271.857 4.963 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@]1(OCC)CCC[C@@H](C)C1 715753330 NDELEXYBLSUHIZ-VSZNYVQBSA-N 281.484 4.552 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2ccccc2s1 715755891 HVXIGRVPNGHYOA-MLGOLLRUSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 715796328 PHINIVCRSNLHAS-LHHMISFZSA-N 263.469 4.783 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1cc(Cl)ccc1C#N 719306789 FVDRHRVOAWTBJV-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CC[C@@H]1OC 724120788 HLMWWCUQNGNULV-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cc(C)cc(C)c2)CC1 724446304 GHCJFBRGUGKNBB-INIZCTEOSA-N 257.421 4.700 30 10 CJEE C1C[C@H]2[C@H]3C/C(=N\N=C4C[C@H]5C[C@H]4[C@@H]4CCC[C@H]54)[C@@H](C3)[C@@H]2C1 1088588403 IPMPDKGHTLRJQQ-MTUHOJGMSA-N 296.458 4.696 30 10 CJEE C=CCCCCCN(C)C(=O)C1(c2cccc(C)c2)CCC1 1126398438 OFKYZDDMBRCGQN-UHFFFAOYSA-N 299.458 4.622 30 10 CJEE C=CCC1(NC(=O)CCCC[C@@H](C)CC)CCCC1 1131251490 MQIGMGHVFJFTOV-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2sc(C)cc2C)c1 1134838246 RSYKEQCCPHXVIB-UHFFFAOYSA-N 285.412 4.579 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(C)CCC(C)CC2)c1 1134838274 UBVSYRGGCAKOEZ-UHFFFAOYSA-N 271.404 4.875 30 10 CJEE C=CCC1(NCCSC2CCCCC2)CCCC1 1174593589 VKIJCTHWAYXOGQ-UHFFFAOYSA-N 267.482 4.531 30 10 CJEE C=C(C)CCNCc1ccc(-c2ccccc2F)s1 1178768803 CYYNEXJXTOCOMB-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE C=CC[C@H]1N(Cc2csc(C)c2)CCCC1(C)C 1193920921 QUTKQIMHEJHTEE-OAHLLOKOSA-N 263.450 4.623 30 10 CJEE C=CCC1(CN[C@H](C)CCc2ccccc2F)CCCC1 1205788653 FIBMLIOLGMWEPT-MRXNPFEDSA-N 289.438 4.873 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1CC 1248435226 MUHFQSPWKQEGDV-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCC)[C@@H](CC)c1ccccc1 1353444640 RFYNLILSCUNGKN-AEFFLSMTSA-N 287.447 4.979 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 1358445302 AQKUJMCSCCKMCJ-HZPDHXFCSA-N 291.435 4.880 30 10 CJEE C=CC1(CC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)CCCCC1 1456772204 SCWFIFBGOOBVCD-ZACQAIPSSA-N 289.463 4.693 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(Oc2cccnc2)cc1 1473450553 ZGOCSFAALQESJL-INIZCTEOSA-N 296.414 4.881 30 10 CJEE C=CCCC[C@@H](NCc1cnn(C(C)C)c1)c1ccccc1 1474248803 SCYDPRKGJQAHSK-LJQANCHMSA-N 297.446 4.651 30 10 CJEE C#CCCCCCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 1474393142 JQAOHZLGPRYDJA-HXUWFJFHSA-N 299.433 4.935 30 10 CJEE C#CCCCCCCNc1cc(C)c(Cl)c(C)c1 1474469770 OXHRNXFAFBFBAP-UHFFFAOYSA-N 263.812 4.952 30 10 CJEE C=CC1(CC(=O)O[C@H]2CCC[C@@H](C)C2)CCCCC1 1530481305 VMVKQDNBOVPCKD-CABCVRRESA-N 264.409 4.635 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1C 1532165507 NJQDUERWMHOSQB-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1CC)c1ccccc1 1534875693 QOPBZBMMBJWFPY-SCTDSRPQSA-N 299.458 4.774 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H]2CCC(C)C)CCCCC1 1534948231 JRYJBLDIVJHVAS-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C=C[C@@H](CC)CC(=O)N1c2ccccc2CC[C@@H]1C(C)C 1536487764 PAHWZGXFDLIMCU-DOTOQJQBSA-N 285.431 4.593 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc2ccccc2s1 1537131295 RJWDEPHQAIIPDO-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE C=CC[C@H](Cc1ccccc1)Nc1nc2cc(C)ccc2o1 1559211424 MCRBXQLRJWDKQO-MRXNPFEDSA-N 292.382 4.736 30 10 CJEE C=CCC[C@@H](NCc1ccccc1CF)c1ccccc1 1559695969 LXAFDKYZPGRRQG-LJQANCHMSA-N 283.390 4.953 30 10 CJEE C=C1CCC(CNCc2ccc(C(F)(F)F)cc2C)CC1 1560582547 KYKJFGDFHKEHPG-UHFFFAOYSA-N 297.364 4.850 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H](CC(C)(C)C)C2)CCCCC1 1584016327 WVSYQIDDECBDSF-INIZCTEOSA-N 291.479 4.798 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2ccccc2F)CCCC1 1584100859 SHYYAGMDGUNYIJ-CYBMUJFWSA-N 276.351 4.566 30 10 CJEE C=CCN(Cc1cc(F)cc(Cl)c1)c1ccccc1 1621262921 KHYLXVQQKABRNO-UHFFFAOYSA-N 275.754 4.672 30 10 CJEE C#Cc1ccc(CN(CC)C[C@@H](CC)c2ccccc2)cc1 1621269840 HBJPBXDNUUTWHG-HXUWFJFHSA-N 291.438 4.684 30 10 CJEE C=C(C)CN[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 1653011659 NXWGYBGRTRMGKT-QGZVFWFLSA-N 295.426 4.801 30 10 CJEE C#CCCCCCCN[C@@H](CC)c1cccc(Cl)c1 1653080812 CQIQJJMMULVQAS-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](C)c1cc(Cl)ccc1Cl 1655022662 DHQUDADIXQYQFE-CMPLNLGQSA-N 270.203 4.705 30 10 CJEE C#Cc1ccc(CNc2ccc(N(CC)C(C)C)cc2)cc1 1655885679 KDEIIJGBOBREIJ-UHFFFAOYSA-N 292.426 4.515 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H](CC)c1ccccc1 1657028891 VYTJHQKFHNNMHU-HXUWFJFHSA-N 295.426 4.835 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C)cc2OCC2CC2)C1 1657403695 JWTKTBRYDBWIIO-VQIMIIECSA-N 299.458 4.618 30 10 CJEE CCC(CC)CN(CCC#N)Cc1c(C)cc(C)cc1C 1657466458 BMLBVLULCZBIIA-UHFFFAOYSA-N 286.463 4.764 30 10 CJEE C#CCCCCCCNc1cccc(C)c1Br 1664414934 SFOZJQBFVGVMTC-UHFFFAOYSA-N 294.236 4.753 30 10 CJEE C#CCCCCCCN1CC2(CCC2)[C@H]1c1ccccc1 1664872645 GRYITSZTIOGSTI-LJQANCHMSA-N 281.443 4.797 30 10 CJEE C/C(=N\OCCOc1ccc(C(C)C)cc1)c1ccccc1 1857935951 KLVLSSRRFDENNL-CAPFRKAQSA-N 297.398 4.630 30 10 CJEE C=CCN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1C 1860027637 ZMXCCSUJVDSJCU-XJKSGUPXSA-N 291.822 4.547 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)C(C)(C)C(F)(F)F 1878360442 SZAKWWLZRKZSDJ-QMMMGPOBSA-N 290.716 4.601 30 10 CJEE CCCCCCCCN(C)Cc1cc(C)cc(Cl)n1 1887057899 WVNUIKMHOMRXNO-UHFFFAOYSA-N 282.859 4.836 30 10 CJEE C#CC[C@@H](C)C[C@@H](Cc1c(Cl)cccc1Cl)NCC 1887463317 FTNCNWCBWKPQLC-OLZOCXBDSA-N 298.257 4.564 30 10 CJEE C=CCC(CC=C)Sc1nc(C)ccc1Br 1899434238 WICCJBBPSKNJGN-UHFFFAOYSA-N 298.249 4.765 30 10 CJEE C=CCC(CC=C)C(=O)c1csc(C)c1Br 1902843939 NQWBHFQMEYGGMU-UHFFFAOYSA-N 299.233 4.770 30 10 CJEE CCCC[C@@H](CC)CN=C1N[C@@H](CC(C)(C)C)CS1 1912016111 GTYHHZLRIIWKFY-KGLIPLIRSA-N 284.513 4.700 30 10 CJEE C[C@H]1CCC[C@@H](N=C2NC3(CCCCC3)CCS2)CC1 1912120239 AVTSIVSSBKVSKL-LSDHHAIUSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@H]1CCC[C@H](C)C1 1919400963 CFPCFSQDSMMBRL-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1ccc(Cl)cc1 1919403593 DCZBRCVFJWXQDS-INIZCTEOSA-N 282.811 4.634 30 10 CJEE CCCCCCC[C@@](C)(O)c1c(F)ccc(C)c1F 1919913101 NBGZTTUAZCLUNL-MRXNPFEDSA-N 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C=CCC(CC=C)SC[C@H](NC)c1ccccc1C 2335200046 IIZLSBOAQADNIG-KRWDZBQOSA-N 275.461 4.510 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)cc1CNCC 2335234839 KFJRYWOBSQXKND-UHFFFAOYSA-N 279.424 4.548 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CCC)c1ccccc1 2337114586 RRTPNGLTZKUIBN-BPQIPLTHSA-N 257.421 4.862 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1C[C@H]1C1CCCCC1 2338732808 MGBAHYBIHOYJRG-BZSNNMDCSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2338746842 KJBVMEFKMNKQQL-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE C=CCCC(C)(C)NCc1ccc(F)cc1C1CC1 2339171661 PPYUTIOHUQCXGC-UHFFFAOYSA-N 261.384 4.538 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)[C@H](C)C(C)C 2340221883 HTSVSUGWYREXOF-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCC#CC[C@@H](NCCC)c1ccc(C)cc1SC 2342389833 ZSSWAXBHFJDKFF-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C)ccc1C(C)C 2352930625 PSJRJBFMQHPENJ-KRWDZBQOSA-N 259.437 4.981 30 10 CJEE CSc1cc(Oc2ccc(C)c(F)c2)ccc1C#N 2353833986 JYCXPTBNEMWUQO-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CCCC1)NN 2357830983 HWEREEMDJKUMAP-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@H](N)CC)c(C)c1 2360328813 BLSSEOWBBYKXQY-MRXNPFEDSA-N 289.488 4.888 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@H]2CCCC[C@H]2C[C@H]1NCC 2360343363 MXUAQRVEVNBUFQ-OWLYRPNTSA-N 293.520 4.797 30 10 CJEE CC(C)(C)c1ccc(Nc2ccccc2C#N)cc1 21054820 RGNAHQFECSZELT-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37155953 YHGCTOARCBVSCI-REWJHTLYSA-N 253.455 4.873 30 10 CJEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 37272577 KHGQCFSMKGDQCW-AWEZNQCLSA-N 270.420 4.868 30 10 CJEE CCC1(CC)CS/C(=N\c2cc(Cl)ccc2C)N1 53046271 QVRAWXKJDGJRLW-UHFFFAOYSA-N 282.840 4.531 30 10 CJEE CCOc1ccc([C@@H](C#N)CCCc2ccccc2)cc1 57690415 RTTSSWGPSIKCAT-GOSISDBHSA-N 279.383 4.715 30 10 CJEE CCCCCCCCOc1cccc2c1NCCC2 59089484 IRJMOUVMDCRAOP-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CCCCCCCCCN(CCCN)C1CCCCC1 59203670 PMMIRHDNXZQSOB-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCOc1c(OC)cccc1C(=O)O 59272093 NJLHSNDFHQVKDC-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CCCCCCC/C=C/c1cc(=O)c2ccccc2[nH]1 59970204 ZNTUDOOZDLMYAG-DHZHZOJOSA-N 269.388 4.902 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc2cccnc12 62789811 OKJUFTXRJFOARA-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCn1c(-c2ccccc2Cl)nc2cc(C#N)ccc21 86635917 WANHFBWEBLHPTR-UHFFFAOYSA-N 295.773 4.638 30 10 CJEE Cc1ccc(C)c([C@@H](O)C2(C#N)CCC(C(C)C)CC2)c1 91882567 IHVVCZSZAQANAI-CUYAVPTFSA-N 285.431 4.693 30 10 CJEE Cc1ccc(OCC2(CS)CCCCC2)c(Cl)c1 94585139 DGFHWMFQDCQWLN-UHFFFAOYSA-N 284.852 4.908 30 10 CJEE CCCCCCCOc1ccc(N)c(C(F)(F)F)c1 102018303 PVCTZIXZKZKKLM-UHFFFAOYSA-N 275.314 4.637 30 10 CJEE O=C1/C(=C\c2cccc(F)c2)c2cccc3cccc1c23 102579754 PPHNMZCKERSPMI-BOPFTXTBSA-N 274.294 4.716 30 10 CJEE O=C(C1=CCCCCC1)c1cccc2ccccc12 104003328 SFLVVZYDHXEURQ-UHFFFAOYSA-N 250.341 4.913 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@@H]1CNC 109687970 KXAQOIIZDGRZRE-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1cc(Cl)ccc1C#N 110259920 FYPOCLRWFGVLDC-SMDDNHRTSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C#N 112899500 KEVWFBLVLPWDMC-INIZCTEOSA-N 250.430 4.505 30 10 CJEE CCCCCCC[C@@H](NN)C1(CC(C)C)CCCC1 122305820 PFCHHPYETXXVJA-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE CCCCCCCOc1cc(C)c(F)cc1[C@H](C)N 123332505 RYVXVJOMMJLPJN-ZDUSSCGKSA-N 267.388 4.503 30 10 CJEE CCCCCC[C@H](C)Nc1cc(C#N)ccc1Cl 125698897 VQKPQDNDQHKQNF-LBPRGKRZSA-N 264.800 4.982 30 10 CJEE N#Cc1cccc(-c2csc([C@H]3CCCCS3)n2)c1 126462167 WQNSHEQSFYRQNQ-CQSZACIVSA-N 286.425 4.640 30 10 CJEE Cc1ccccc1NC1(C#N)CCC2(CCCC2)CC1 129610953 FTILPDTTZJJRFV-UHFFFAOYSA-N 268.404 4.804 30 10 CJEE C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(Cl)c(C#N)c1 155870788 UIIIYEFIRXWTHO-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE CC[C@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)CC1 156824157 FHMBJUAFNWXUHL-WMZOPIPTSA-N 277.452 4.962 30 10 CJEE N#CC1([C@@H](O)c2ccccc2Cl)CCCCCCC1 158972732 STIRPMDDBXGFEA-HNNXBMFYSA-N 277.795 4.628 30 10 CJEE CCCCCCCCN[C@@H]1CSCc2ccccc21 160865269 QHODVRGQHOREHY-QGZVFWFLSA-N 277.477 4.925 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 162626908 UAILJJFHMVFPDI-GJZGRUSLSA-N 277.411 4.873 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)c2ccccc2O1 164743518 YIQWVKSCFWVNSM-KRWDZBQOSA-N 260.377 4.771 30 10 CJEE Cc1cc(C#N)ccc1COc1cccc2ccccc12 165539931 GVNSNLQFOTXCHE-UHFFFAOYSA-N 273.335 4.599 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@H](C)CO 167063970 FAVDVVKTWSSHQQ-IAGOWNOFSA-N 271.489 4.514 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)(C)C 169064763 WAHWPOFIMMXQTN-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCN1/C(=C/C=C2/CCCCC2=O)Sc2ccccc21 207005981 PMHUNQFFLVMHAM-RQGFIEOQSA-N 285.412 4.530 30 10 CJEE C/C=C\c1ccccc1OC[C@@H](CS)C(C)(C)C 211655613 IYZYRWIQHVPNTD-PODYEWJSSA-N 264.434 4.691 30 10 CJEE CC/C(=N\O)c1ccc(O[C@H]2CCCC[C@@H]2CC)cc1 215966472 SBKPIODKRBDACG-AECJAFODSA-N 275.392 4.623 30 10 CJEE Cc1cccc(N[C@@H]2CCC[C@@H](CC(C)C)C2)c1C#N 232605968 QQXUPNVGXURYQI-JKSUJKDBSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1cc(Cl)ccc1N 232947622 KMWCUBURDKJBKD-CYBMUJFWSA-N 297.826 4.841 30 10 CJEE C=CCCCCC[C@H](NC)C(CC)(CC)N(CC)CC 233438390 IJURUVGRHMDIAP-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=CCCCCC[C@H](N)c1ncc(Cl)cc1Cl 236303788 ORSAOLULPILSPN-LBPRGKRZSA-N 273.207 4.525 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@H]1C 253019713 BIRFJTDPPYBPDW-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE N#CC[C@H](c1ccc2sc(C3CC3)nc2c1)C1CC1 260587880 OWMYIMTUTGJPTF-ZDUSSCGKSA-N 268.385 4.581 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)CC 296161884 HJPSGCCKSFTVRV-OWBHPGMISA-N 271.404 4.833 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(C)ns1 311740938 GNXVDLWAWQXEMX-CYBMUJFWSA-N 254.443 4.592 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(F)cc(OC)c1 312570524 RURJOBLCJZDSKC-KRWDZBQOSA-N 281.415 4.975 30 10 CJEE C[C@@H]1CCC[C@@](C=O)([C@H]2CCOC3(CCCCC3)C2)C1 316795848 OGYULWCZNBYIEE-IXDOHACOSA-N 278.436 4.511 30 10 CJEE CC(C)C1CCC(C=O)(CCSC(C)(C)C)CC1 316815782 JUCMHXCTOQJSOR-UHFFFAOYSA-N 270.482 4.940 30 10 CJEE CSCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 320156053 MKIAPQJWDBREIC-BFHYXJOUSA-N 285.522 4.827 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCC1 322401409 SCCFEOJVGCXECI-CYBMUJFWSA-N 282.309 4.568 30 10 CJEE C[C@H]1C[C@@](C#N)(Nc2ccccc2Cl)c2ccccc21 383826186 IECCMQUSMNHXPD-SJCJKPOMSA-N 282.774 4.678 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc(C(F)F)c1 386433257 NLBFBGRIYAZBLQ-OCCSQVGLSA-N 264.319 4.509 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1 386852463 ZOVSKXPMGQFACE-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccccc1OC(F)F 398061476 HNSBKPZOSXRCMU-CHWSQXEVSA-N 283.362 4.683 30 10 CJEE C=CCCC[C@@H](C)Nc1ccc(C#N)c2ccccc12 398102862 UKMRCCOSZDKTJK-CQSZACIVSA-N 264.372 4.868 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC(C1CC1)C1CC1 400907586 QLVGCSHYXDBZII-QGZVFWFLSA-N 275.480 4.621 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](CC)CC(F)(F)F 402690704 BWSVOCXUYZFITG-KBPBESRZSA-N 291.401 4.773 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CO[C@@H](C)[C@H]1C 405711952 BSPUQPFZKJSPAX-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CC(C)(CC[C@]1(C#N)CCc2ccccc2C1)C1CC1 405979567 ZCYKHMMQTQWWRO-LJQANCHMSA-N 267.416 4.902 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 466425091 IMMFZIOVRIYNCF-JENIJYKNSA-N 299.458 4.897 30 10 CJEE C=CC(C)(C)CCNCC1(c2ccccc2)CCCC1 686671141 QSZQJMCMBWKVLV-UHFFFAOYSA-N 271.448 4.690 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 686672914 NVJFLRNDFJKDFX-CQSZACIVSA-N 271.187 4.611 30 10 CJEE C#CCCCCC[C@@](C)(O)c1c(Cl)cccc1Cl 686692943 PNIUUPKJONLMBW-OAHLLOKOSA-N 285.214 4.785 30 10 CJEE Fc1cccc(N=C2NC3(CCCC3)CCS2)c1Cl 687321281 SEKREDJIXIPOHY-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE Cc1ccc(Nc2ccc(SC(F)F)cc2)c(C#N)c1 690183258 YGKYFLCXGRGZOA-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE C=C(C)C[C@H](NCCC)C(CC)(CC)C(F)(F)F 690213467 BVTUKUOUIPHVKB-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C[C@H]1CCCCC[C@]1(C#N)Nc1ccc(Cl)cc1 691101982 KNNCCLDEYKMTTO-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE CCc1ccc(N=C2N[C@H](CC(C)C)CS2)cc1Cl 691295200 WQJJMUPTPKXTDA-CYBMUJFWSA-N 296.867 4.641 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCCSCC1 692428225 YUERRROBNODTSW-ZDUSSCGKSA-N 279.474 4.662 30 10 CJEE CCCCCCC[C@H](C)NCC1C[C@@H]2[C@@H](C1)C2(F)F 693376863 BQIWNIXQZBPAFP-NWANDNLSSA-N 273.411 4.616 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699079935 SKCIGBCAOYEWFA-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CCNCc1cc(F)cc(C(F)(F)F)c1 701920400 PPDIOXOJEWFFRQ-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE C=CCCCCCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 703779776 IZQOXTYMHDCBNS-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CSc1cccc(N(C)[C@H]2CCCC(C)(C)C2)c1C#N 709266328 HVRVUGPFOJUINN-ZDUSSCGKSA-N 288.460 4.685 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)[C@H]1CCCCO1 711858318 MFSAOXNAYDMOJE-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](O)c1cc(C(C)(C)C)nn1C 712775247 PEZMGUCGVPVDBW-HNNXBMFYSA-N 280.456 4.502 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CC(C)(C)CC[C@H]2C)C1 713116372 DMGIWGBYSHGJML-XYVMCAHJSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCOCCNc1ccccc1 715113824 ACQZFKJWJVXIOD-UHFFFAOYSA-N 263.425 4.866 30 10 CJEE CCCCCCC[C@H](C)NCc1cnc(Cl)s1 718185249 DSPYNRJJQIPQBO-NSHDSACASA-N 274.861 4.635 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2sc(C)cc2C)C1 719473244 OKMMNAPNMNQXFL-KBMXLJTQSA-N 277.433 4.509 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(Cl)ccc2F)CC1 724549789 JTETZIIOSQENNA-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H](C)[C@H](C)CNCC(C)C)CC1 724617158 OAIUWDVATJOHNV-HZPDHXFCSA-N 251.458 4.641 30 10 CJEE CC(C)[C@@H](C)SCc1cc(Cl)ccc1OCC#N 742460658 VPQBUUDWRGIPNT-LLVKDONJSA-N 283.824 4.520 30 10 CJEE C=C[C@@H](CC(=O)N1CCCCC[C@H]1C(C)C)c1ccccc1 1127598242 KLCFRYCLAZUITM-HKUYNNGSSA-N 299.458 4.774 30 10 CJEE C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 1128868042 CPQJJMUWIJWVGT-OAHLLOKOSA-N 287.447 4.632 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CCCC(C)(C)C1)c1ccccc1 1129519494 JJQUAQLFSPNZGD-SJORKVTESA-N 286.415 4.858 30 10 CJEE C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)C1 1179336353 PFLDYKXQKPCZTN-ZWKOTPCHSA-N 297.442 4.575 30 10 CJEE C=CCC[C@@H](CC)NCC[C@@H]1C[C@H]1Cc1ccccc1 1184153795 KQYXJFSJVKLMNI-GUDVDZBRSA-N 271.448 4.590 30 10 CJEE C#CCCCCCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 1193649916 ZJPMQWJXHZEZCT-RTWAWAEBSA-N 297.486 4.961 30 10 CJEE C=CCCCCCN1CC[C@H](CCOC)c2ccccc21 1198686922 YKLXTFYYHDEVOX-QGZVFWFLSA-N 287.447 4.763 30 10 CJEE C=CCCC1(CN[C@H]2CCCC23CCC3)CCCC1 1206656425 LRDQIENMWUCWJR-INIZCTEOSA-N 261.453 4.825 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc3sccc23)C1 1242315912 AOORYRZKBBCBMB-UHFFFAOYSA-N 256.370 4.674 30 10 CJEE C=CCC1(C(=O)NCC2(CC(C)C)CCC2)CCCCC1 1266176893 HNJIIZDLYGLWHB-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](C)c1cc(C)ccc1C 1267300255 BKIANULKUGFXCV-OAHLLOKOSA-N 272.388 4.676 30 10 CJEE C=CCC(F)(F)C(=O)N(CC(C)C)c1ccc(C)cc1C 1278375365 JQOBAPJDSXRKLJ-UHFFFAOYSA-N 295.373 4.504 30 10 CJEE C=CCCCCC[C@@H](C)NCC1(c2ccccn2)CCC1 1308750578 MPGBBVNNTQDFJS-QGZVFWFLSA-N 286.463 4.618 30 10 CJEE C=CCC(CC=C)C(=O)N1C[C@H](C(C)C)c2ccccc21 1459755424 SNDPSOCYQNWBDF-QGZVFWFLSA-N 283.415 4.541 30 10 CJEE C=CC(C)(C)C(=O)N(C)CCC[C@@H](CC)CCCC 1461694031 NOJUBISNKJNCIX-HNNXBMFYSA-N 267.457 4.654 30 10 CJEE C=CC[C@@H](CC)Nc1cc(C(C)(C)C)nc(C(C)C)n1 1472781890 SRGIAVAHFTWHTR-CYBMUJFWSA-N 275.440 4.664 30 10 CJEE C#CCCCCCCN1CCC[C@@]1(C)c1ccccc1 1473756072 VQGYSZKHZQCQRA-IBGZPJMESA-N 269.432 4.581 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1 1474729444 FGYJKCLVXHBUIL-BXUZGUMPSA-N 251.320 4.781 30 10 CJEE C=CCCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 1517339192 CUMIWVANICDYAG-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CCCc1ccccc1NC(=O)C1(C)C(C)(C)C1(C)C 1518875180 QFUVJUYYIWUUJA-UHFFFAOYSA-N 285.431 4.816 30 10 CJEE C=CCC[C@@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 1519376253 SBEAKOHYNGTWPU-DAWZGUTISA-N 299.458 4.882 30 10 CJEE C=CCC1(NC(=O)c2cc3cccc(C)c3o2)CCCCC1 1521567618 VDGRAMHMTQLALR-UHFFFAOYSA-N 297.398 4.750 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CC1(C)CCCC1 1525069867 MMGSRZYXPMLGJV-UHFFFAOYSA-N 285.431 4.562 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)c1 1539558337 RSVHHKXKZHTPEA-KGLIPLIRSA-N 273.420 4.977 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 1583436404 CRXKWVHSAFVJDZ-IRXDYDNUSA-N 287.447 4.740 30 10 CJEE C=CC[C@@H]1N(C(=O)CC2(C)CCCC2)CCCC1(C)C 1586320219 OPZDKEWMYAVROR-HNNXBMFYSA-N 277.452 4.550 30 10 CJEE C#CC[C@@H](Nc1nc2c(C)cccc2s1)c1ccccc1 1612154934 LAMAKDXWKKJAGV-OAHLLOKOSA-N 292.407 4.781 30 10 CJEE C#CCCCCCCN(C)Cc1csc2ccccc12 1615095200 FSBPCUXEBOWVRH-UHFFFAOYSA-N 285.456 4.917 30 10 CJEE C#CCCCCCCNc1ccccc1NC(C)(C)C 1621287933 QXDYCQXQMZMJHX-UHFFFAOYSA-N 272.436 4.893 30 10 CJEE C=CCC[C@@H](C(=O)N1CCCC2(CC1)CC2)c1ccccc1 1634579542 AJTKKEPXUROMEM-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc([C@@H](C)CC)c1 1640831289 IFIAZNOYWPXJMB-ZDUSSCGKSA-N 259.393 4.741 30 10 CJEE CCCCCCCN1CCC[C@H]1C[C@@H](O)c1cccs1 1641945416 CVBRYWRGWRHMNQ-JKSUJKDBSA-N 295.492 4.606 30 10 CJEE C=CCCCCCN(C)c1cc(Cl)nc(C2CCC2)n1 1642302526 QUZXTUACBGPTNF-UHFFFAOYSA-N 293.842 4.580 30 10 CJEE C=C(CC)CN[C@H](CC(F)(F)F)c1ccc(C)cc1 1642616989 JTSMYHKKWGGQFS-CQSZACIVSA-N 271.326 4.544 30 10 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CJEE CCCCCCCCC[C@@](C)(N)[C@H]1C[C@@H]2C[C@@H]2C1 2263660505 IJEBNPLTUWOPBC-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE O=C(C1=CCCCCC1)c1ccc2ccsc2c1 2263872750 JDEITRDTVHBYCV-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE N#C[C@@]1(CCC23CC4CC(CC(C4)C2)C3)CCCS1 2265157714 TXVOTNHMKMCOQU-HWBDBZLXSA-N 275.461 4.772 30 10 CJEE CSc1ccc(Oc2c(F)cccc2C#N)cc1C 2265706667 KUPUPONJDDYYBO-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE C=CCCCC[C@H](NCC)c1cccc(OC)c1Cl 2268072619 OQNOTHVPAIUBFW-AWEZNQCLSA-N 281.827 4.746 30 10 CJEE CCCCCCC[C@@H](C)NC1CCP(=O)(CC)CC1 2268276082 HDYUXRHDFDLQBC-MDCZIUGASA-N 287.428 4.870 30 10 CJEE C=CCCCCCCCSC[C@@H]1CNCCC1(C)C 2271592901 ZMXBGACLPIRDQF-INIZCTEOSA-N 283.525 4.882 30 10 CJEE C=CC1(CNC[C@]23CCCC[C@@H]2CC3)CCCCC1 2273435278 XFMAEXXJRQQSCI-SJLPKXTDSA-N 261.453 4.683 30 10 CJEE CCCCCC[C@H](CC#CC1CCCC1)NCCC 2274122530 RBGPSGDHMLRNBG-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=CC1(CN[C@H]2CC(C)(C)CCC2(C)C)CCCC1 2274497353 CRPSGQFIBXMKJL-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@H](CCC1CC(C)C1)NN 2274617872 KUAGTTMCJUWQKR-OFLPRAFFSA-N 268.489 4.785 30 10 CJEE C=CCCC[C@@](CC)(CCCCC)OCCC(=O)O 2275708556 PEAIMNJQSJSMQH-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)C1CC1)OCCN 2276255475 IBGDBDZGYXPVOJ-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C(CC)(CC)CC 2276384360 DFPIYIZXPRYRKY-HZPDHXFCSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1cccs1 2276901206 CGWQHWZWDSRHJV-OAHLLOKOSA-N 283.481 4.905 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@H]1CCOC1 2278169319 OPNGRHILSHVIOM-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 2278240510 ZSNMOQCJADGRFG-DWMDIXPDSA-N 263.469 4.760 30 10 CJEE C[C@@H]1CCC[C@@H](CCC2(C=O)Cc3ccccc3C2)C1 2279892045 CENZGDZCCCOJGT-CVEARBPZSA-N 270.416 4.577 30 10 CJEE CC(C)C(C)(CN=C1N[C@H]2CCCC[C@@H]2CS1)C(C)C 2283822020 WHQHNIINAQMIKJ-CABCVRRESA-N 296.524 4.556 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)C1CCC1 2284088284 JLKQQGVRISEOJZ-WMZOPIPTSA-N 275.480 4.787 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(C(C)(C)C)c2)c1 2285656825 VYHSIKPIGSFLQJ-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE C=C1CC([C@@H](NCCC)c2nc(C)cc3sccc23)C1 2286155370 XNFONFYMPSNSOI-MRXNPFEDSA-N 286.444 4.612 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1csc(C)c1OC 2287257742 NAUYTOUUGGLILA-MRXNPFEDSA-N 293.476 4.690 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@]2(C1)CC2(F)F 2287466747 IYZJSFFZKMZHHW-PMPSAXMXSA-N 285.422 4.927 30 10 CJEE COCCCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2287543751 WAMXBJFMNLLMFB-HRCADAONSA-N 297.508 4.891 30 10 CJEE CC(C)CCC[C@H](C)CCO[C@@H]1C[C@H](C)CCC1=NO 2287968896 XOWYVXLKULSGQR-ZMSDIMECSA-N 283.456 4.874 30 10 CJEE CN(CC1(CS)CCCCC1)C[C@@]12CCCC[C@@H]1CC2 2289050463 SOVICIPUCVRBRF-AEFFLSMTSA-N 295.536 4.769 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1c(C)cccc1C 2289694240 UQBIZGUDHFDEPU-GOSISDBHSA-N 269.432 4.538 30 10 CJEE CCC[C@@H]1CC[C@@H](CNC)[C@@H](CC#CC2CCCC2)C1 2289875404 QHWCVSATLLDCDM-QYZOEREBSA-N 275.480 4.622 30 10 CJEE CC(C)(C)NC[C@@H]1CCCC[C@H]1CC#CC1CCCC1 2289875494 QUPCYNCIKNTRMW-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CC1(C)CC(C(=O)CC#CC2CCCC2)CC(C)(C)C1 2289881063 KPCUSNKYVDGWMI-UHFFFAOYSA-N 274.448 4.992 30 10 CJEE C=C(CC)C[C@@H](OCCC(=O)O)C1CCCCCCC1 2291139473 BHKSZLDFOBVROD-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC(CCC)(CCC)OCC(=O)O 2292417726 MECQBGFJBVHUDL-UHFFFAOYSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@@H](CC1CCCC1)OCC(=O)O 2292432765 DMMQOIDZTTXFFG-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCCCCC12CC2 2294026128 GYQAMUBNZXWQIY-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1C(C)=CCC[C@@H]1C 2294354673 GXASORUHQXZMFH-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2ccc3cc(Cl)ccc3n2)C1 2294977301 SJWJIIXZLQVASO-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CCCC1CCC([C@@H](N)C#Cc2ccccc2Cl)CC1 2295197370 QDKNQBWIPHVCAS-PVARCSIZSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1csnc1C 2295604173 UKNUBXAQZRMQOO-MRXNPFEDSA-N 297.464 4.526 30 10 CJEE CCCCCCCCC[C@@H](C)NCCN(C)[C@H](C)CC 2295686723 LYRGGKDOKGYDGQ-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1ccc(Cl)s1 2301746703 RQZGTAADOXQJHR-SNVBAGLBSA-N 261.777 4.556 30 10 CJEE Cc1ccc(SC[C@H](CS)CC(C)C)cc1C 2308063942 ZOCCZPBCZQYLOA-AWEZNQCLSA-N 268.491 4.988 30 10 CJEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(C#N)cc2)cc1 2313676811 JUQRNKGISDPQSD-UHFFFAOYSA-N 289.378 4.752 30 10 CJEE Cc1cccc(C#N)c1SC[C@H]1CC[C@H](C)CC1 2313831165 FATZJTQAKIZTSQ-MQMHXKEQSA-N 259.418 4.785 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(F)c(C)c1Cl 2316749736 MZXNYEUDURAOSC-OAHLLOKOSA-N 268.759 4.589 30 10 CJEE C=CCCCCCCC[C@@]1(O)C[C@H](C)S[C@H](C)C1 2317684867 VIVAGUDCKXZPTJ-ZSHCYNCHSA-N 270.482 4.938 30 10 CJEE CC1(C)CC[C@H](C[C@@]2(C=O)CCCCC2(C)C)C1 2319037357 QEYJKPYKHODFOW-WMLDXEAASA-N 250.426 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C2CC2)s1 2321116160 ILKQSBAYOOMWRA-CVEARBPZSA-N 263.450 4.878 30 10 CJEE C=CC[C@H](C)[C@@H](CCCCCCC1CC1)NCC 2321148449 PDAFGYZHZCEHPU-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CCC2(C(F)(F)F)CC2)C1 2321552733 OHAZTBOQZQZYKG-VXGBXAGGSA-N 262.315 4.505 30 10 CJEE CCN(Cc1ccsc1)C[C@@](C)(CS)C(C)(C)C 2327303600 WNTHUODXIWIRDZ-HNNXBMFYSA-N 285.522 4.552 30 10 CJEE C=CCCC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329821627 KYRLZSATKKIUFR-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1cccc(Cl)c1 2335096133 JYQBHHMXWYHYQP-MRXNPFEDSA-N 295.879 4.855 30 10 CJEE C=CCC1(NCc2c(F)ccc(C)c2Cl)CCCC1 2335414856 GWVSHYAKDWOHCV-UHFFFAOYSA-N 281.802 4.766 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)C1CCC(C)(C)CC1 2337114699 SSGRIHQIAHBKKE-UAGQMJEPSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](NCCC)CC(C)(C)C1 2338660006 MINAQRKFZMANCU-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1(CC2CCC2)CC1 2338735421 LEVODFPYNRKYMU-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CC[C@@H](CC)C1 2338735837 ORZGAXCYRXNXGK-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339276617 ZUQPFVDQZNOFOX-ZKXLYKBJSA-N 260.421 4.764 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCCC12CC2 2339279687 UESZIOMHORIBME-YFHUEUNASA-N 258.405 4.518 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1CCCC(F)(F)C1 2344336798 LTUMFHZLWKXYHB-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2344343801 FYIXHVNDERRILW-UJHHCITNSA-N 263.469 4.769 30 10 CJEE C=CC[C@H](C)[C@@H](CC12CCC(CC1)CC2)NCCC 2344368189 AWDPZZAICNOPAD-PBHCIXSXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC(F)(F)c1ccccc1 2344375525 NOHWDQFEOGHMCZ-HNNXBMFYSA-N 266.331 4.730 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(F)cc(C(F)F)c1 2344379816 JNZGPLSFWGALON-ZFWWWQNUSA-N 271.326 4.756 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1c(F)cccc1Cl)C2 2344987829 BFCCHRPQIMMRTO-UHFFFAOYSA-N 277.770 4.841 30 10 CJEE CCCC1(CN(C)C[C@@](C)(CS)C(C)(C)C)CCC1 2352085508 LSFYBWDKZCFSGF-INIZCTEOSA-N 285.541 4.871 30 10 CJEE Cc1cc(Cl)c(C(=O)C#Cc2ccccc2)c(Cl)c1 2353133237 KZPSCXXVDVBEIR-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE C[C@H](C[C@H]1CCOC1)[C@]1(C#N)CCCC(C)(C)CC1 2353300041 YSWFUZJLQFBMTG-BFYDXBDKSA-N 263.425 4.549 30 10 CJEE CC(C)CCN(C[C@H](CS)CC(C)C)C1CCCC1 2353842382 BYSRCRGOVHMJHN-MRXNPFEDSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@@H]2OC 2354395627 ZWCUUAOKXWVCLO-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 19921865 GEFKPRKCNWMFNO-NSHDSACASA-N 290.288 4.750 30 10 CJEE CC(C)(C)C1CCC(Nc2cccc(F)c2C#N)CC1 36138587 BQJAABTZHJLNBO-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE C[C@@H](N[C@H](CC#N)c1ccccc1)c1cccc(Cl)c1 55017558 DRRDLRZJJYQLGO-CXAGYDPISA-N 284.790 4.646 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(OC)cc1OC 59290912 TZMMRPMITLZZDT-KRWDZBQOSA-N 293.451 4.715 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C1 71108401 FVFWHJZDMPVNRP-RHSMWYFYSA-N 270.420 4.868 30 10 CJEE CC1(C)[C@@H](Nc2ccc(C#N)cc2Cl)[C@@]2(C)CC[C@@H]1C2 80150198 BFOYVYYNDWLXFN-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCC[C@@](C)(O)CCNCCC 91468108 KTYTVCZUWWRVRU-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CC[C@H]1CC[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91886603 MHKRGKFFGJECQD-OBHHBEAMSA-N 277.452 4.674 30 10 CJEE CC(C)[C@H](CS)CSc1cccc(C(F)(F)F)c1 94589316 JXTQZVJOPPBGBB-SNVBAGLBSA-N 294.407 5.000 30 10 CJEE CCCCCCCCOCc1ccoc1CNC(C)C 107346401 GZERXMKHCHEEOM-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE C=CC[C@H](CC)c1ccc(OCC)c(Br)c1 107513224 HLDUDOFRWUYZSA-NSHDSACASA-N 283.209 4.918 30 10 CJEE C[C@H](CCNc1ccc(C#N)c(Cl)c1)c1ccccc1 109772216 QTXYUFYFOQRZEC-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1O 110023326 BIGUYGFYPAODLV-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC3(CCCC3)CC2)C1 110265681 UWWSRJZDUDJNJU-FGTMMUONSA-N 288.479 4.751 30 10 CJEE CCCCCCCC1(N)CCC(C(F)(F)F)CC1 115084239 LVPMANBRESIMBD-UHFFFAOYSA-N 265.363 4.797 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(N)ccc1C 115854463 QIBXFNHSFQQZSW-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)c1ccccn1 117686187 UVUKRVNNCZTDRG-HOTGVXAUSA-N 262.441 4.653 30 10 CJEE CCCCCCCCCCCCNCc1cn(C)nc1C 125638885 YKABVQSBDNRTHP-UHFFFAOYSA-N 293.499 4.739 30 10 CJEE CCCCCCCCCCNc1ccnc(C#N)c1 129333907 PJOCWWWEHDNZSN-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE CCCCCCC[C@H](NC)c1cccc2c1OCCC2 131133422 WJQZCFDWRBGWMR-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)s1 131507340 KONLRRZSFICOCX-NSHDSACASA-N 257.830 4.799 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc(F)cc1C 132042336 NDYIXAJCXSLBGZ-QGZVFWFLSA-N 265.416 4.755 30 10 CJEE CCCCCCCCCCn1cc2c(c1)[C@H](O)CCC2 135445101 SREWKPIWYDJCMI-GOSISDBHSA-N 277.452 4.999 30 10 CJEE C/C(=N\O)c1ccc2ccccc2c1OCc1ccccc1 136069411 IHNRXCOQLIZOTH-XSFVSMFZSA-N 291.350 4.617 30 10 CJEE CCCCCCCCCCCCCc1n[nH]c(=S)n1N 138878610 NOJOCDRVMARFGG-UHFFFAOYSA-N 298.500 4.508 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(C(F)(F)F)cn1 140449698 OULXCNLGNQMVEF-ZDUSSCGKSA-N 288.357 4.851 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])c(F)c1 148781122 WDFATFCNGXVLSE-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE CCCCCCCCn1c(S)nnc1-c1cccs1 161084934 YOCRPOMVXNDGGL-UHFFFAOYSA-N 295.477 4.656 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1F 166858901 ATVDQTBWJMKALH-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(CC)cc1 167028878 DTBSOSQYLWBZJJ-GOSISDBHSA-N 262.437 4.903 30 10 CJEE CC#CCC[C@H](NCCC)C1(c2ccccc2)CCCC1 168132643 DPOYZSDFZGWGIR-IBGZPJMESA-N 283.459 4.670 30 10 CJEE C=CCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 168519571 BNGFFRGZBSYKHH-QMMMGPOBSA-N 278.610 4.874 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1OCC[C@@H]1C 228988549 XTKXFRXUHBGUIG-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC(=O)c1cncc(OC(C)C)c1 229429600 QJHYOIJJQMGQHL-UHFFFAOYSA-N 277.408 4.802 30 10 CJEE Cc1ccc(C#N)c(N(CCC(C)C)CCC(C)C)c1 232552698 CMLLFXPZUATBBC-UHFFFAOYSA-N 272.436 4.765 30 10 CJEE CCCCCCCCCNc1ccc(C#N)c(C#N)c1 232951525 IKDRRKOMLIFLFM-UHFFFAOYSA-N 269.392 4.592 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2C#N)CC1 235653619 CCSNOHYEFNEABA-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE Cc1ccc(Nc2ccccc2SC(F)F)c(C#N)c1 235868626 XPNXUKDFFYZGLA-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)Cc2ccc(Cl)cc2)c1 235931100 ACFLBJHKYTULKZ-QGZVFWFLSA-N 284.790 4.585 30 10 CJEE CC(=Nc1cccc(Br)c1)c1ccccc1 256308489 CUAMSPSCLWAQOI-UHFFFAOYSA-N 274.161 4.590 30 10 CJEE CC[C@H](C#N)c1nc(-c2ccc(C(C)C)cc2)c(C)[nH]1 258826474 ZBZBGSXKYLCEMC-CYBMUJFWSA-N 267.376 4.526 30 10 CJEE C=CCCOc1cc(SC(C)C)ccc1C(=O)CC 261039908 LIRPSRCBWDTLAG-UHFFFAOYSA-N 278.417 4.735 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1C 308059359 WCKZKPFVLOWOGV-NVXWUHKLSA-N 271.404 4.634 30 10 CJEE CC1(c2nc(-c3cccc(C#N)c3)cs2)CCCC1 312952578 YZXQHPRSMKSEIM-UHFFFAOYSA-N 268.385 4.513 30 10 CJEE CCCCCCCC[C@@H](C#Cc1ccccc1)NCC 314985691 SJMCOAWCDXUYND-IBGZPJMESA-N 271.448 4.767 30 10 CJEE C#CCCC1(CNCC(C)C)CCC(CCC)CC1 318127603 CAZLYZOUWUFVDB-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCSc1cccc(SCCCSC)c1C#N 319965386 QUFRFJJGRYBHHH-UHFFFAOYSA-N 283.487 4.515 30 10 CJEE CCSc1cccc(N(C)[C@@H](CC)C2CCC2)c1C#N 325343036 FIXJAQMBRYNZGK-HNNXBMFYSA-N 288.460 4.685 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H](OCC)C1(C)C 378688425 XMUKTTNTCODZNN-ULQDDVLXSA-N 284.484 4.939 30 10 CJEE C[C@H]1C[C@@H]([C@@]2(C#N)CCc3ccccc3C2)CC[C@H]1C 380300345 SKATTYIVWJSVTD-PDWMJMLSSA-N 267.416 4.758 30 10 CJEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)cs1 381609449 SIPPWZSVCSMNLW-INIZCTEOSA-N 283.396 4.670 30 10 CJEE C=CCS[C@@H]1C[C@H](C)c2ccccc2[C@H]1NCCC 381668560 PORKNCIPUBWDSS-IAOVAPTHSA-N 275.461 4.522 30 10 CJEE CCC(=NO)c1ccccc1OCc1sccc1Cl 382217242 UZEGOMZUPUQFQH-UHFFFAOYSA-N 295.791 4.569 30 10 CJEE N#Cc1ccc(NCc2sccc2Cl)cc1Cl 384031266 SRAFIHQSLWZVGW-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CSc2ccccc21 384910332 YJHOBHDOVCAMEL-KEYYUXOJSA-N 271.429 4.986 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc(C(F)F)c1 386433235 NLBFBGRIYAZBLQ-GXTWGEPZSA-N 264.319 4.509 30 10 CJEE CCCCCCCCCCN[C@H](CO)C1CCCCC1 395323923 NJPOVNRMXYUURA-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CC(C)(C)c1ccc(NC[C@H](C#N)C(C)(C)C)cc1 397590138 LWFNOKLRZKTZET-AWEZNQCLSA-N 258.409 4.582 30 10 CJEE C=CCCC[C@@H](C)NCc1nc(-c2ccccc2)cs1 398093418 ZDAAGFDCZIALMD-CQSZACIVSA-N 286.444 4.645 30 10 CJEE CC(C)[C@@]1(C)CSC(=Nc2ccc3ccccc3c2)N1 398509414 PRPGURAKJLPQGP-QGZVFWFLSA-N 284.428 4.578 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C#N)CCc2ccccc21 402257857 CZYDPHKFFFTRSG-WFASDCNBSA-N 281.321 4.763 30 10 CJEE C=C(CC)CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 405559215 DLOXFNFCJZOXRZ-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)SCCCC 410366666 MIWKWGXCFBWNOL-AWEZNQCLSA-N 291.460 4.666 30 10 CJEE C=CCCCNC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 432986359 QWKDXOYXZNDCGK-UHFFFAOYSA-N 298.386 4.651 30 10 CJEE Cc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1Cl 512661040 PRBATLFQIWZAEO-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=CCC[C@@H](Nc1cccc2c1OCCC2)c1ccco1 569497933 XEBJECMSMCOTOJ-OAHLLOKOSA-N 283.371 4.724 30 10 CJEE C#CCCCCCOc1ccc([C@H](C)NCC)cc1Cl 686685894 ONQIRZFMYCKHMM-AWEZNQCLSA-N 293.838 4.583 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCCC[C@@H]1C(F)(F)F 686689831 UYHIZAFHPYPZHJ-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)c2ccsc2)C1 688281629 YZGXYULHNRYPGF-MRXNPFEDSA-N 291.460 4.702 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@H](C)SC1 689495174 RZQNOWLGVNQUDS-OLZOCXBDSA-N 279.474 4.661 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(C)cc(C#N)c1 691052086 DPNDEARAGGKHKB-DOTOQJQBSA-N 256.393 4.638 30 10 CJEE CCc1ccc(NC[C@H](C#N)c2ccccc2)cc1Cl 691227510 CCYAVVOJOKGWCW-HNNXBMFYSA-N 284.790 4.622 30 10 CJEE CCCCCCCCCCCCOC[C@H](N)CC 693726532 YTBYBUICCVCITF-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C[C@@H]1CC(C/N=C2/N[C@@H](C(C)(C)C)CCS2)C[C@H](C)C1 695335220 NXCOWPDNAPVEGV-IZGVIRRGSA-N 296.524 4.556 30 10 CJEE CCCCCCCC[C@H](O)CC[C@H](CCN)C(C)(C)C 696298927 RFPJONJORSUBLX-SJORKVTESA-N 285.516 4.889 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1CCCN1C 700197470 YIDBDFHBRPBAMM-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@H](NCCC)C1CC(OC)C1 703431722 SQLLWFUUXSAHBN-JCYILVPMSA-N 269.473 4.530 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1Br 704039042 USXKAWQFFVLJCA-UHFFFAOYSA-N 296.252 4.531 30 10 CJEE CCCCCCCNCc1cscc1Br 705953261 JVYXCTIVDBOFIK-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE C=C(CN[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 705968921 DEHWUZTZLHXDKC-KFKAGJAMSA-N 271.448 4.750 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 709121427 DBBBGYSQSMAGKH-JQWIXIFHSA-N 298.213 4.852 30 10 CJEE C=C(Cl)C[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 710587534 UBXINTVAONABFI-HNNXBMFYSA-N 280.839 4.647 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(Cl)c1 715706426 RSPHPKRFTDVARV-MFKMUULPSA-N 257.830 4.654 30 10 CJEE CCCCCCCCC[C@H](NN)C1C[C@@H]2CC[C@H](C1)S2 716044228 QJYCQYFMMKALRC-HMQMGEFJSA-N 298.540 4.633 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cscc1C(F)(F)F 717193473 OSSDAJNFPUHNDV-CABZTGNLSA-N 277.355 4.630 30 10 CJEE CCCCCCCC[C@@H](N)C1CCC(SC)CC1 720414778 NJZUKVBPFGERPW-UYSNPLJNSA-N 271.514 4.986 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2occc2C)CC1 724589079 OLMVIRCRIOMTAO-INIZCTEOSA-N 261.409 4.765 30 10 CJEE C=CC[C@@H](OC(=O)C1CCC(F)(F)CC1)c1ccccc1 778736866 HZQHQDLHGAVCAX-OAHLLOKOSA-N 294.341 4.673 30 10 CJEE C=CCCc1ccccc1NCc1ncc(C(C)C)o1 799973529 XOMMMNNOHNHUQS-UHFFFAOYSA-N 270.376 4.529 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2ccc(C)cc2)CCCCC1 1124864816 UVRPIIXJNQKGGF-MRXNPFEDSA-N 285.431 4.699 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](CC)CC1CCCCC1 1127520854 XJGZZAHXWFKMMM-DOTOQJQBSA-N 279.468 4.844 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)Cc1ccccc1 1131105244 FODKOINIDHJISW-IPMKNSEASA-N 299.458 4.506 30 10 CJEE C=C(C)CN(C)C(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1131454901 OWKLYXPDZUEOOL-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C(=O)CC)cc2)c1 1134838080 LLMATGWGVOMGOF-UHFFFAOYSA-N 293.366 4.565 30 10 CJEE C=C(C)CCOc1ccc(-c2cccnc2)cc1Cl 1166660400 DVSMSRAZWCTZJE-UHFFFAOYSA-N 273.763 4.747 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1cc2[nH]ccc2cc1C 1216712614 BXMNUJOLQUATDJ-UHFFFAOYSA-N 299.418 4.590 30 10 CJEE C=CCCCCCN(C)C(=O)CCC1CCCCC1 1265359464 KMZBKRRFWBGVJH-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H](C)c1cccc(Cl)c1F 1267384511 JCDDQCBBGRJPAE-SNVBAGLBSA-N 284.758 4.686 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 1290932053 YAHJUXMMSRZBRI-UHFFFAOYSA-N 291.350 4.881 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1sccc1Cl 1308434453 ODCBXWHIAFZWOJ-CQSZACIVSA-N 291.847 4.679 30 10 CJEE C=CC[C@H]1N(Cc2ccc(F)c(F)c2F)CCCC1(C)C 1308725632 XCSJQLAHYDAOBJ-CQSZACIVSA-N 297.364 4.671 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(Cl)c1Cl 1348529478 ACVPJNMUUORSMT-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](CC)C(C)(C)c1ccccc1 1360968525 WGVLWZOIMWLVQS-GOSISDBHSA-N 299.458 4.627 30 10 CJEE C=CC1(CC(=O)NC2(CC)CCCCC2)CCCCC1 1436334586 DWWWDZDPMQHXGP-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1c(CC)oc2ccccc12 1438258652 MTJZJHNGGNXDBL-UHFFFAOYSA-N 299.414 4.717 30 10 CJEE C=CCCCCCN[C@@H](C)c1c(F)cccc1Cl 1459836486 NUWWGBMJQRQTCP-LBPRGKRZSA-N 269.791 4.876 30 10 CJEE CCCCCCCCCN[C@@H](C)c1cnccc1C 1459939597 YETTYOQBCZOQJS-INIZCTEOSA-N 262.441 4.791 30 10 CJEE C=C(C)COc1cccc(NCC2CCCCC2)c1 1461307785 MHEZPIHSCJRXEM-UHFFFAOYSA-N 259.393 4.634 30 10 CJEE C=CCCC(C)(C)NC(=O)C1CCC(c2ccccc2)CC1 1461770610 SAIGPYBYRSGSOO-UHFFFAOYSA-N 299.458 4.821 30 10 CJEE C=CCCCCCN(C)C(=O)NC[C@@H]1CCC=CCCC1 1471567442 UNVPVZFSIPKCHB-QGZVFWFLSA-N 292.467 4.511 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccc(C(C)(C)CC)cc1 1476539234 TUWBOSBQHOLDCK-UHFFFAOYSA-N 288.435 4.708 30 10 CJEE C=CCC1(CNC(=O)[C@@H](C)CCC(C)(C)C)CCCC1 1521324516 ZEHQHXIYGBHQMN-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=CCC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 1521625750 XZYYVERGQBDDDS-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)c(F)c2C)CCCCC1 1528735114 SRENPGBZEQNSJM-UHFFFAOYSA-N 293.357 4.738 30 10 CJEE C=CCCSCCNc1nc2c(C)c(C)ccc2s1 1559230459 DOBYSQOZMUIXCZ-UHFFFAOYSA-N 292.473 4.634 30 10 CJEE C=CCCC(C)(C)CNc1nc(C2CCCCC2)ns1 1559253258 QTTCUGYPMPQWTC-UHFFFAOYSA-N 293.480 4.990 30 10 CJEE C=CCCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 1559767128 SUXOIUNINJOMCY-INIZCTEOSA-N 265.347 4.528 30 10 CJEE C=CCC1(NCc2cc3cccc(OC)c3o2)CCCCC1 1560472280 UQKSWSDUQFHKPQ-UHFFFAOYSA-N 299.414 4.810 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(F)cc1OC(C)C 1560710804 VJPVBAREXJAZFH-CQSZACIVSA-N 265.372 4.770 30 10 CJEE CC[C@H]1CC[C@H]1Nc1ccc(Oc2ccccc2)c(C#N)c1 1560778292 APQAAPFUNVNPPK-KBXCAEBGSA-N 292.382 4.951 30 10 CJEE C=CCCc1ccccc1NCc1nc(Cl)cs1 1560783036 SBSOREONXOKSHY-UHFFFAOYSA-N 278.808 4.527 30 10 CJEE Fc1ccc(C#Cc2ccccc2Cl)cc1C(F)(F)F 1614826784 ANKUTFIHATXGLP-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCC[C@@H](CC)NC[C@H]1[C@H](c2ccccc2)C1(C)C 1621383973 CPTFKJNUHQPDTG-SQNIBIBYSA-N 271.448 4.761 30 10 CJEE C=CCCN(Cc1ccccc1CF)OCc1ccccc1 1642774466 QHQBSGNXNAXAPN-UHFFFAOYSA-N 299.389 4.666 30 10 CJEE C#CCCCCCCSc1ncccc1Br 1651821187 UACHVPKPGKZNDJ-UHFFFAOYSA-N 298.249 4.520 30 10 CJEE C#CCCCCCCS[C@@H]1CCc2ccccc2C1 1652948251 FAWYGQIFMMBAOX-GOSISDBHSA-N 272.457 4.861 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@@H](C)CC3)cc21 1653177771 HLYMNXVLBLQRJX-GDBMZVCRSA-N 283.419 4.603 30 10 CJEE C#CCCCCCCN(CCC)[C@@H]1CCc2ccccc2C1 1653209482 HFQLORASKATOCI-OAQYLSRUSA-N 297.486 4.840 30 10 CJEE C=C(C)c1cccc(NC(=O)c2nccc3ccccc23)c1 1653376299 DECHDCLYMZRZEE-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CC[C@H]1N(Cc2ccc(C)cc2C)CCCC1(C)C 1653457150 OKRMFMPOVWAMOC-GOSISDBHSA-N 271.448 4.870 30 10 CJEE CCCCCCCCCCN1CCCO[C@H](C(C)C)C1 1653703050 IPYCCDMEQBYFPD-SFHVURJKSA-N 283.500 4.874 30 10 CJEE C=CC[C@@H](C)Sc1cccc(Br)c1 1656269033 GAJCZTBZTKJHIV-SECBINFHSA-N 257.196 4.506 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccccc1C(C)C 1657575694 PCAYSLSYZNERBZ-UHFFFAOYSA-N 274.408 4.534 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ccccc2SC)C1 1659563749 HMORDTCYFYICOO-ZNMIVQPWSA-N 275.461 4.804 30 10 CJEE C=CCCC1(CN[C@@H]2CCC23CCCC3)CCCC1 1659649592 SUKRYZULGZKQLE-MRXNPFEDSA-N 261.453 4.825 30 10 CJEE C=CCOc1ccc(CNC[C@H]2CCCC[C@@H]2CC)cc1 1664682764 YXUZPVZBNRRLBW-ZWKOTPCHSA-N 287.447 4.557 30 10 CJEE Cc1ccc(Nc2nccc(C(C)C)c2C#N)cc1Cl 1859831350 OJAKNRNHRKNGFJ-UHFFFAOYSA-N 285.778 4.782 30 10 CJEE Cc1c(Cl)cccc1Nc1nccc(C(C)C)c1C#N 1859838976 OWSYGSFQMZYUNT-UHFFFAOYSA-N 285.778 4.782 30 10 CJEE CCCCCCCCCN(C)CC[C@H]1CC[C@@H](C)O1 1883431810 IJJXQHFVSLBAIB-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CC#CCCCC[C@@H](NCC)C(C)(C)C1CCCC1 1885226358 CAZQAZFSVLTAQI-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@H](NC)C1(CC(C)C)CCCC1 1885265943 VFJGRRRNOGEJGH-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C#CC[C@@H](C[C@](C)(O)c1ccc(Cl)c(Cl)c1)C1CC1 1887097750 GWHUHHKHJKNUOY-LRDDRELGSA-N 297.225 4.641 30 10 CJEE C#CC[C@@H](C)CNC1CCCCCCCCCCC1 1887373457 RSJQKBBGYSIVLO-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 1893524611 DPVNYASUGQIINW-HMDCTGQHSA-N 261.453 4.536 30 10 CJEE CC1(C)OB(C=C2CCCC[C@H]2c2ccccc2)OC1(C)C 1911604130 FKBMBJQLTFYPLM-KRWDZBQOSA-N 298.235 4.902 30 10 CJEE CCCCCCCCCCNCC(F)(F)C1CC1 1912537924 QLSJISOMFYNOEW-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE CCC1CC(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)C1 1921275395 NIFTYQOURCMEPX-VQXHTEKXSA-N 296.197 4.606 30 10 CJEE CC(C)CC(C)(C)CN=C1N[C@@H](CC2CCCC2)CS1 1926683638 JWZBYBCXNLQKFM-HNNXBMFYSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCCS[C@@H](CO)C(C)C 1942126356 FUQLTRVAWJNXPA-HNNXBMFYSA-N 260.487 4.877 30 10 CJEE N#C[C@]1(NCc2ccccc2)CCCC2(CCCCC2)C1 1955274705 KQQZKPILYFDHRS-IBGZPJMESA-N 282.431 4.563 30 10 CJEE C=C(Br)CCO[C@@H]1C[C@@H](C)CC(C)(C)C1 1959648458 SZSNPFWAJQCPJT-ZYHUDNBSSA-N 275.230 4.517 30 10 CJEE N#CC1(Cc2csc(Br)c2)CCCCCC1 1994465248 LGLLFPKNVGYGOC-UHFFFAOYSA-N 298.249 4.917 30 10 CJEE C=CC1(C[C@H](N)c2ccc(Cl)cc2Cl)CCC1 2002632745 IWVBDLZYXMCFCA-ZDUSSCGKSA-N 270.203 4.740 30 10 CJEE C=CCCCCCC[C@](N)(CC)c1ccsc1 2026015634 VAIYCYXHPKSMIR-OAHLLOKOSA-N 251.439 4.839 30 10 CJEE CCCCCCCCC1(CN)C[C@@H]2CC[C@H](C1)S2 2029256892 SEQQLRMYMYQPQR-XYPWUTKMSA-N 269.498 4.740 30 10 CJEE CCCCCCCCC1(F)CCC2(CC1)C[C@@H]2N 2030090178 FDFPBYVIXCNQLE-FHERZECASA-N 255.421 4.737 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CCCC1(C)C 2032105460 UTBYBDKOWSMOPH-KRWDZBQOSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(OC)s1 2034657321 YXOWEGQLGHKVKB-CYBMUJFWSA-N 267.438 4.544 30 10 CJEE 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C=CCCCCCCCCC[C@H](N)[C@H]1CCOC[C@H]1C 2207397859 WINMGRWVALACAG-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](N)CC1 2207427118 JSMVXZHGFZREGD-KSZLIROESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](C[C@@H]1CC[C@H]1OC)NC 2207436383 JLQCUVATIWJHDV-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ncncc1C 2207447858 KFFIOJOCSXTMPX-MRXNPFEDSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCN[C@H](C)CSC(C)C 2214620204 XLOXEBWNBHTPBP-OAHLLOKOSA-N 257.487 4.633 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cccc(Cl)c1Cl 2219204637 BEUDTZIYWDAUGC-VXGBXAGGSA-N 284.230 4.692 30 10 CJEE C#CCCCCC[C@H](NC)c1sc(C)c(C)c1C 2221237289 RSUPIHMNSVJSNJ-HNNXBMFYSA-N 263.450 4.518 30 10 CJEE C=CCCCCCC[C@H](O)CCc1cccc(F)c1 2224565561 UQSLXDCPOZFRRP-KRWDZBQOSA-N 264.384 4.646 30 10 CJEE C=CC[C@@H](CNCCC)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225345446 RKPDWAGLRJAGCM-XDNAFOTISA-N 263.469 4.785 30 10 CJEE C=CCCCCCCCNC[C@@H]1C(F)(F)C12CCC2 2227276995 VXACZQAEKLUOLO-AWEZNQCLSA-N 271.395 4.538 30 10 CJEE C=CCCCCCCCN[C@@H]1CCc2ccccc21 2227283544 NSRFZUNNCJGQHJ-GOSISDBHSA-N 257.421 4.790 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H]2C[C@@H]2C1 2227291400 QRLWNFXQQMXCDF-SQNIBIBYSA-N 263.469 4.881 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2227501393 NBQFAEJSSQUKOJ-GXSJLCMTSA-N 298.213 4.852 30 10 CJEE CC1(C)CC(C)(C[C@@]2(C#N)CCc3ccccc32)C1 2228370791 WLHNOYUEPGLQHF-GOSISDBHSA-N 253.389 4.611 30 10 CJEE CCCCCCCCNC[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228517794 CVMHJXYJOGQRKN-BJWYYQGGSA-N 283.525 4.716 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H](C)[C@@H](NC)C1 2230980715 FQFBPYTYTGJEPD-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@H]1CNCC 2231016668 BSSCLGJQSOZPLH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CN[C@H](C)CC)C(C)C 2231018323 UAVCIKQXHMGAPR-BRWVUGGUSA-N 269.473 4.551 30 10 CJEE CCCCCCCC[C@@]1(CN[C@H](C)CC)CCOC1 2231541279 WBAQVWUWESZYGZ-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@]1(C)CCCC1(F)F 2231541780 AJZDKGMDEAAVDR-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(C2CC2)cc1 2231695516 WUFJFMRVTRKQKM-KBXCAEBGSA-N 253.389 4.827 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H](C)c1ccc(C)cc1 2232082132 QVOOMWBXRYNPAZ-WMZOPIPTSA-N 259.437 4.823 30 10 CJEE C[C@@H]1CC[C@@]2(CSC(=NCCCCCCC3CC3)N2)C1 2234183395 YSYOELKBURXZDT-PBHICJAKSA-N 294.508 4.598 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cccc2ccccc12 2234692083 SITFHPFQOMIKSM-NVXWUHKLSA-N 265.400 4.538 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1csc(C)c1C 2235534900 KLSQBLHQJYSJKV-QGZVFWFLSA-N 294.460 4.884 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ncccc1F 2235539102 NEUKRFFWAPKXIJ-MRXNPFEDSA-N 278.415 4.788 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(F)c(OC)c1 2235540490 XRQFMFBQFCUAQN-MRXNPFEDSA-N 279.399 4.751 30 10 CJEE C=CCC1(Nc2c([N+](=O)[O-])ccc(F)c2Cl)CCCC1 2235698269 OXHWWCAGHRXFJT-UHFFFAOYSA-N 298.745 4.688 30 10 CJEE C=CCCCCCOc1cccc(CN[C@@H](C)CC)c1 2240187969 DYKBUGORAIFNNO-INIZCTEOSA-N 275.436 4.700 30 10 CJEE CCCCCCCC[C@H](N)CC12CCC(OC)(CC1)C2 2240388160 CTNZOCONTKLMMW-AOCRQIFASA-N 281.484 4.804 30 10 CJEE CCCCCCCC[C@H](C)NCCc1nc(C)oc1C 2240650853 UKLFREQRFIBQFP-AWEZNQCLSA-N 280.456 4.563 30 10 CJEE C=CCCC[C@@H](N)c1sc(Cl)cc1Br 2242110325 PXDUZIRYAHEQIS-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE C=CCCCCCCCSC[C@H](C)NCCC 2250063211 UEEWJVQYEORNQO-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(Cl)c1 2250156629 NHLFKVKVOIECES-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE C[C@@H]1CC[C@H](CSCc2ccc(C#N)cc2Cl)C1 2256633151 IWSPJVNCAWZSEL-YPMHNXCESA-N 279.836 4.881 30 10 CJEE C=C(C)CCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2259196657 MVVBJKJYNWZKHZ-CYBMUJFWSA-N 286.246 5.000 30 10 CJEE CCCCCCC[C@H](N)c1csc(C(C)(F)F)n1 2260791011 JGEWCOTVLBTNPR-JTQLQIEISA-N 276.396 4.615 30 10 CJEE CCCCCCCC[C@H](OCCN)C(CC)CC 2262558194 HIUVSGGMXAYCIU-INIZCTEOSA-N 257.462 4.517 30 10 CJEE C=CCCCCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1 2264183393 BPQVEGDFYVDWGQ-ZDUSSCGKSA-N 288.218 4.835 30 10 CJEE C=C[C@@](N)(CCC12CC3CC(CC(C3)C1)C2)C(C)C 2265163199 WLRRPOJFGFEJQN-ARUCBAPRSA-N 261.453 4.523 30 10 CJEE CCCCCCCC[C@H](CCCC[C@@H]1C[C@H]1C)NN 2265707809 UOQPEGFHLPCULF-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE C#CCCCCC[C@@H](NCC)c1csc(C2CC2)c1 2267861888 TURYPZQPTKHHLG-MRXNPFEDSA-N 275.461 4.860 30 10 CJEE C=CCCCSc1ccc(F)cc1CNC(C)(C)C 2271582385 PHKLROMVQUIMBU-UHFFFAOYSA-N 281.440 4.772 30 10 CJEE C=C(C)CCCC[C@@H]1CCCc2ccccc2C1=O 2271759703 XBBMLWFVWAJWRH-MRXNPFEDSA-N 256.389 4.958 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](CC)CCOC 2271780504 GOKJYMFMYQUXIS-DLBZAZTESA-N 269.473 4.554 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(F)(F)CC1CC1 2271793513 XILHEFJIRBITFK-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE O=CC1(C[C@]23CCCC[C@@H]2CC3)CCC2(CC1)CC2 2273426244 ONQOFDICFZFSCH-CRAIPNDOSA-N 260.421 4.886 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@]12CCCC[C@H]1CC2 2273459874 PFBBIIKLTIHWQP-FJIDUMEYSA-N 259.437 4.530 30 10 CJEE O[C@H](CC#CC1CCCC1)c1ccc2sccc2c1 2274119739 AVTWPOHORUBFDR-MRXNPFEDSA-N 270.397 4.518 30 10 CJEE CC1(C)CCC(C)(C)[C@@](O)(CC#CC2CCCC2)C1 2274495005 SWHZASYCSHEIDH-GOSISDBHSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@@H](CC1CCC1)OCCCN 2276222609 QLUULKPWHDGOKN-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)CC[C@@H]1CCC[C@@H](C)C1 2279843308 CZJMNHCOLUEFLH-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@H]1CCC1(C)C)NCC 2280981574 VEAIZRMMFKPIJJ-ZACQAIPSSA-N 283.500 4.512 30 10 CJEE N#Cc1cc(SCC2=CCCCC2)nc2ccccc12 2281253235 AFFFOYNELAUKOU-UHFFFAOYSA-N 280.396 4.699 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)c1c(F)cccc1Cl 2284079353 AUEGHSNRVQZVEW-QGZVFWFLSA-N 294.797 4.682 30 10 CJEE CC[C@@H]1CCC[C@H](CNCC=CC#CC(C)(C)C)CC1 2284182793 ITPAIACTNGXMRG-MSOLQXFVSA-N 275.480 4.788 30 10 CJEE CC(C)CCC[C@H](C)CCN[C@H]1CCCCC[C@@H]1C#N 2287988851 IJRDNURGEWBFLQ-KSZLIROESA-N 278.484 4.901 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@]12CCC[C@H]1CC2 2288977791 PFVXPMYQSVZDMS-GBESFXJTSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@]1(C)CC=CCC1 2289882586 PVUUBRNPVDKRTK-RTBURBONSA-N 273.464 4.685 30 10 CJEE CCCCCCC[C@@](CC)(CC1CC1)OCCC(=O)O 2290878642 VWDKKSFQQDJFDT-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@H](CCC1CC1)OCC(=O)O 2291807324 JAXLMUWSVAFBAZ-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCC[C@@H]1CC 2292642106 RKBHKFAMIKSPME-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCC(=O)O)[C@@H](C)C(C)(C)C 2292722870 PXXPUFPXCVQKGP-CABCVRRESA-N 284.440 4.665 30 10 CJEE C=C(C)CCCCC1(OCCN)CCC2(CCC2)CC1 2292778057 BLNQDDLCLZWTDY-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C(C)CC[C@]1(OCCCN)C[C@H](C)CC[C@@H]1C(C)C 2294088333 CWSIYGWJMXJQSY-KURKYZTESA-N 281.484 4.539 30 10 CJEE C=CCCC[C@H](NCC)c1ccc2ccc(Cl)cc2n1 2294966344 GOYBYAAMTXEGNU-HNNXBMFYSA-N 288.822 4.895 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccc2cccc(Cl)c2n1 2294977352 SXTMHRBQIBGSHR-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CC(C)=C1CC[C@H](C)C[C@@]1(N)C#Cc1ccccc1Cl 2295218960 ITBVDEHFGLYVCJ-KSSFIOAISA-N 287.834 4.545 30 10 CJEE CC#CCCC[C@@H](NCCC)c1nc2ccccc2s1 2295385535 LTWYOHXOMNPVPA-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)CC(C)(C)F 2295524413 JJTVJSOMPJXXMR-KRWDZBQOSA-N 288.495 4.524 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)CN(CC)CC 2295680225 XDSAZWFFUDEHBE-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C1[C@H](C)[C@H]1C 2295688788 JIOJVHUNHARAMG-NUJGCVRESA-N 283.500 4.763 30 10 CJEE CSC1CC(C[C@@]2(C#N)CCCC(C)(C)C2)C1 2299356134 VCAZUFGKYYDTQI-PIMMBPRGSA-N 251.439 4.628 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2304051454 GPUIGTOVAHRKBM-ZDUSSCGKSA-N 272.219 4.904 30 10 CJEE CC(C)(C)CCCOC[C@](C)(CS)C(C)(C)C 2307101678 SLEPMUBIPHKOQG-OAHLLOKOSA-N 260.487 4.812 30 10 CJEE C[C@@H]1C[C@H]1CCCCN(C)CCCCCCCS 2319879136 ULOLKUUDUHLYHN-HZPDHXFCSA-N 271.514 4.625 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)ccc1C 2321097893 GBJUPXNDOQKDNB-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(Cl)c(Cl)c1OC 2321222356 HVYXGCHIOVVQFD-ZDUSSCGKSA-N 289.202 4.638 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330292132 RVXUENVPULNFSB-ATIWLJMLSA-N 264.453 4.924 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1[C@@H](C)C1(F)F 2333327300 VAHHNBQYSAMRIL-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)[C@@]12CCCC[C@H]1C2 2335095670 DRTLWZBEFGHUNV-LUKYLMHMSA-N 281.509 4.633 30 10 CJEE C=CCC(CC=C)S[C@H]1CC(CC)(CC)CC[C@@H]1N 2335191711 RLPJDEUNJKCOHS-HOTGVXAUSA-N 281.509 4.927 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CNC1CC1 2335572780 WUSLVKIWOQJNRF-LBPRGKRZSA-N 295.879 4.957 30 10 CJEE CCN[C@@H](C#CC1CCC1)c1cc2sc(C)cc2s1 2337439432 NADXVMBHBLNSDS-ZDUSSCGKSA-N 289.469 4.725 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(F)ccc1C(F)F 2338276972 OKTYTERGTSGERR-ZDUSSCGKSA-N 291.744 4.947 30 10 CJEE CC(C)OC(C#N)(C1CCCCC1)C1CCCCC1 2338281766 OEJZRTSPZGTQKB-UHFFFAOYSA-N 263.425 4.834 30 10 CJEE CCCCCCCCNCc1ccncc1C(C)C 2338609780 MOQQCQABHXFRSM-UHFFFAOYSA-N 262.441 4.655 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccccc1C(C)(C)C 2338699122 LDCXDLHQUMXGBQ-KRWDZBQOSA-N 258.405 4.786 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H](C(F)F)C(C)(C)C)NC 2338747749 SUOSUZSECZNCPU-KBPBESRZSA-N 273.411 4.660 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(OC)c(Cl)s1 2340262668 QIHHHLHENHEKGV-NEPJUHHUSA-N 299.867 4.500 30 10 CJEE N#Cc1ccc(OCCCC2=CCCCC2)c(Cl)c1 2340980464 BMPRWDZNMYZYBZ-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE N#C[C@@]1(Cc2ccccc2C2CC2)CCCC12CC2 2341744184 HSVHNESIDQMBCF-SFHVURJKSA-N 251.373 4.581 30 10 CJEE C=C(C)[C@H](NCC)[C@@H](c1ccccc1)C1CCCC1 2342365680 RDZJCMWEOSSLJC-ROUUACIJSA-N 257.421 4.515 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ncc(C(F)F)s1 2343573483 KTLYIVHMGBOABT-LLVKDONJSA-N 288.407 4.868 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC12CCCC2)NCC 2344336542 JVVUGHKNGCFLPV-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CC1(C)CC[C@H](CCOc2ccc(C#N)cc2Cl)C1 2344884384 YVHZCXPVDBDPDM-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCCC2(CC2)C1 2352166282 OBZYGFQQKFGGGQ-GOEBONIOSA-N 283.525 4.623 30 10 CJEE C[C@H]1c2ccsc2CCN1C[C@](C)(CS)C(C)(C)C 2352290774 QJMOXHGPZJGSFM-BLLLJJGKSA-N 297.533 4.649 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@@]2(C)N 2353010092 SDHXJGURPZQESE-YYIAUSFCSA-N 269.448 4.983 30 10 CJEE CC(C)C[C@H](CS)CN1CCC[C@@H]1C1CCCCC1 2353830718 FGSPEZOLKGYFLG-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@@](C)(OCCC[C@@H]1C[C@H]1C)C(=O)O 2356071754 SLELMEIIHRFLCG-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE COc1cc(CSCC2CCC(C)CC2)ccc1C#N 2360469830 WOEMFOIQKCYXEQ-UHFFFAOYSA-N 289.444 4.626 30 10 CJEE C(=N/Nc1c2ccccc2nc2ccccc12)\c1ccccc1 4531727 MJFDJGRZSPGJJU-KGENOOAVSA-N 297.361 4.834 30 10 CJEE Cc1c([C@@H](C)Nc2ccccc2C#N)oc2ccccc12 37202971 BSHANKHTCJKOKT-CYBMUJFWSA-N 276.339 4.786 30 10 CJEE CCc1ccc([C@H](CC)Nc2cccc(C#N)c2)cc1 37223768 MHACJUXFKSKMSU-SFHVURJKSA-N 264.372 4.684 30 10 CJEE CCc1ccc(C[C@H](C#N)c2ccccc2Cl)cc1 41391009 DYIKWNPVUGHAAK-OAHLLOKOSA-N 269.775 4.752 30 10 CJEE C=CC[C@@H](NCCC)C(c1ccccc1)c1ccccc1 48765003 ZACYVJBPRMDCKB-LJQANCHMSA-N 279.427 4.763 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)CCC2CCCCC2)c1 55332389 ZPWGSIGXVNRZCO-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE CCOc1cc(/C=N/c2ccc3ccccc3c2)ccc1O 59482760 TZOUIAGSNRPAMT-DEDYPNTBSA-N 291.350 4.695 30 10 CJEE CCc1cccc(Nc2c(C#N)cnc3c(F)cccc23)c1 64438813 ZVRGHHJSVGYEHX-UHFFFAOYSA-N 291.329 4.552 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 71108011 DOJURXUXLHPABN-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)C1 71125130 NJZOCNDCVDDMGX-WFASDCNBSA-N 262.784 4.614 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(C)(C)C)o2)c(C)c1 77084742 RAWGZFPRWWKZNY-UHFFFAOYSA-N 267.372 4.927 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCc3ccccc32)cc1C 87930026 FGDVJYZHCCNTRS-FQEVSTJZSA-N 275.395 4.644 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Br)cc2)C1 87996787 JVOOMYLOKSEYPR-IUODEOHRSA-N 292.220 4.712 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCc3ccccc3C2)cc1C 87998178 LRAFHGWTYQWQDJ-FQEVSTJZSA-N 275.395 4.545 30 10 CJEE Cc1cc(Cl)ccc1OC[C@H](CS)c1ccccc1 94583133 VRIJQHMMBVLFNN-CQSZACIVSA-N 292.831 4.741 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CCCc2sccc21 97219709 KMNBRROKAMVLRA-GOEBONIOSA-N 277.477 4.893 30 10 CJEE N#CC1(Sc2ccccc2F)CC2(CCCC2)C1 97264948 SOYOFLJMYGTRJN-UHFFFAOYSA-N 261.365 4.534 30 10 CJEE N#CC/C=C1\c2ccccc2CSc2ccccc21 103970676 CNBAIWOSHKZFSK-OQLLNIDSSA-N 263.365 4.638 30 10 CJEE O=C(/C=C\Nc1cccc(C(F)(F)F)c1)c1cccs1 105099596 USHZSXLNVZZBJV-SREVYHEPSA-N 297.301 4.575 30 10 CJEE CCOc1ccc([C@@H](C)CCS)cc1C(C)(C)C 107590948 VCIJWEJHRIGGFV-LBPRGKRZSA-N 266.450 4.806 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2ncccc2c1 109345311 QCSQVOIJOKIFJJ-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE CCCCCCCCCCOc1ccc(OC)cc1N 109685659 WIHCSCSZIKBSJH-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCCCCOc1ccc(N)cc1C#N 109685901 RGTRKHJNLKCXDA-UHFFFAOYSA-N 274.408 4.660 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1Cl 110465262 MXLMDPHPZILOHM-OCCSQVGLSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCN1CC(CC)(CC)NC[C@H]1C 114071189 SDCBCRWVGCFVIP-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCc1nc2c(F)cccc2[nH]1 115063988 XCJQCKGSSRMACY-UHFFFAOYSA-N 262.372 4.995 30 10 CJEE CCCCCCC[C@@H](O)Cc1nc(C(C)(C)C)cs1 122315376 MCUVEUPJVUWHBV-CYBMUJFWSA-N 283.481 4.705 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@@H]1CCCCN1 129264637 NBELVKMTRXLLLD-MSOLQXFVSA-N 282.516 4.637 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccnc(Cl)c1 129786866 XSAUOGCSKUFHOG-OAHLLOKOSA-N 297.874 4.770 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)CCO[C@H]1C1CC1 131397350 REDBMVOCNPORKS-OALUTQOASA-N 295.511 4.778 30 10 CJEE CSc1cccc(Oc2ccc(C)cc2C)c1C#N 136703169 JHTJNFMTNARQEJ-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE CCCCCCCC[C@H](CC[C@@H](C)OC)NCC 140321724 RWDXMBJVGJCTTO-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCC[C@@](O)(c1ccccc1)C1(C#N)CCCCCCC1 156792873 PBHNOYXZBOKJIO-LJQANCHMSA-N 285.431 4.929 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1ccc(OC)c(F)c1 157326646 NXCNRCWRZBSLMX-MRXNPFEDSA-N 295.442 4.845 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OC(F)F)c1 158119775 GXSGZAWQHSMBDK-HNNXBMFYSA-N 285.378 4.909 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](OC)C(C)(C)C 158248720 MFTMJGIQHXPEMB-HZPDHXFCSA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@]1(CNCC(C)C)CCO[C@H]1C 159711971 UNZVAZDATMNXNS-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE CCCCCCCCN1CCc2cc(C(C)=O)ccc21 162323288 LUCCUZGSKOZTTK-UHFFFAOYSA-N 273.420 4.612 30 10 CJEE CCCCCCCCCCCCn1cc([C@H](O)CC)nn1 162982227 XKNVIUSPLMFTRG-QGZVFWFLSA-N 295.471 4.642 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 185020548 XEGKXPDPSPERSW-ZIAGYGMSSA-N 285.387 4.555 30 10 CJEE CCC(CC)(CS)COc1c(F)cccc1Cl 213028457 VXFRJBRVKXLLOB-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCc1sc(C2C3CC4CC(C3)CC2C4)cc1C#N 217138140 CNFBGPSLEILZNZ-UHFFFAOYSA-N 271.429 4.722 30 10 CJEE CCCCCCCCCOc1cc(F)cc(C=O)c1 223413351 QLNDAZNVEFSMGL-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)C 227926269 ZUOPXIXQUYIUOE-KURKYZTESA-N 277.496 4.867 30 10 CJEE CCCCCCC[C@@H](N)[C@@H]1CCOC2(CCCCC2)C1 228760832 MZOWUQOMJBWIFA-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE C=C(C)C[C@@H](NCC)C1CCC(CCCC)CC1 229735995 RDRZRCJAJPOYOI-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccc(Cl)cc2)C1 231383681 LEFGEJFQOWMAOR-KYOSRNDESA-N 279.836 4.902 30 10 CJEE CCCCCCCCCc1noc(C(C)C)c1C(=O)O 232961353 DEKLRAQIEFTQIA-UHFFFAOYSA-N 281.396 4.789 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@H]1C2 250822904 LYCLBEZUZAFSRQ-BQFCYCMXSA-N 263.469 4.905 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@H](C)c1ccccc1Cl 251337505 PMVCHEZZEAAYSM-CHWSQXEVSA-N 285.884 4.535 30 10 CJEE C[C@H](C#N)Cc1csc2cc(C(F)(F)F)ccc12 260215724 ZMNHHAZVXXERDY-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H](CCC)CC(C)C 308045976 GYBHNNXVSQYOME-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(C)ccc2C)c1 308120324 GIOBJDFQDRMAHG-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H](OC)C12CCC2 308330410 BJBWGUUYMQCUGP-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCc2ccc(Cl)cc2)C1 308522718 PMOJRODGINYLDY-XJKSGUPXSA-N 261.796 4.993 30 10 CJEE C[C@H]1CCC[C@@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 312512150 ZUSVASFOACVFRA-IINYFYTJSA-N 285.284 4.816 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C)(C)CC2)cc1C 317805129 CASHVZPECFQNHW-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE C=C([C@@H](NCCC)C(CCC)CCC)C(F)(F)F 381204914 QVBKKVVQBYMMDY-CYBMUJFWSA-N 265.363 4.690 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)C1(C)C 383369932 ILMPUGYIBSUCLX-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE C=CCCCCCCN[C@@H]1CCC[C@@H](C(C)C)C1 384960324 IDAFOGXVXKVPOM-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C[C@H](C1CCCCC1)[C@H](O)C1(C#N)CCCCCCC1 394317597 GOCDYGKWBFWVPP-WBVHZDCISA-N 277.452 4.818 30 10 CJEE CCC(CC)n1ccc(C[C@@]2(C#N)CCCC[C@@H]2C)n1 394978916 VCYZLRIETXQMLZ-WMLDXEAASA-N 273.424 4.507 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 398190102 RDNURSYRSBADPM-KGLIPLIRSA-N 263.450 4.804 30 10 CJEE C[C@H]1Cc2c([nH]c3ccc(C(C)(C)C)cc23)[C@H](C#N)C1 527397121 RXIZGLOCDHKMCF-NEPJUHHUSA-N 266.388 4.655 30 10 CJEE C=CCC[C@H](N)c1cc(C(F)(F)F)ccc1C(F)(F)F 575245026 QADAORUKYOSORB-NSHDSACASA-N 297.242 4.690 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 686699164 CKEKZGIDCZXMFY-GVDBMIGSSA-N 260.421 4.746 30 10 CJEE CCCC1([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)CC1 687556262 BVBMRVNJRNIVFF-CSLYMUCUSA-N 277.452 4.674 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Cc2ccccc2)C1 688343158 UULRERCYKRUYDE-UHFFFAOYSA-N 255.405 4.975 30 10 CJEE C#C[C@@H](Nc1cccc(SCC)c1)c1ccccc1 690107839 JVYNLBDJSYOIDR-QGZVFWFLSA-N 267.397 4.585 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(SC(F)F)c1 690185285 QIGCUIYYCJHXQH-BXUZGUMPSA-N 296.386 4.886 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)C[C@@H](CS)c1ccccc1 691139269 FKKDECGVBGJULI-NJAFHUGGSA-N 291.504 4.601 30 10 CJEE CCCCCCCC(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C 691952261 VXKYTMPYMCBBGM-AWEZNQCLSA-N 299.455 4.562 30 10 CJEE CCSc1cccc(N(C)C[C@H](C)C2CCC2)c1C#N 692126179 WZTSDQRRAPTXFX-ZDUSSCGKSA-N 288.460 4.543 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(COC)cc1 693439007 ZVSQPPCSYVGKQZ-SFHVURJKSA-N 277.452 4.844 30 10 CJEE CC[C@@H](Nc1ccc(Cl)cc1C#N)c1ccccc1F 695744678 LPDJNQCIEZGWKN-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCC[C@@H](CC1(CSC)CC1)NC 696021292 FCIAYAKKSHHCQY-HNNXBMFYSA-N 271.514 4.858 30 10 CJEE C=C1C[C@H]2CC(NCCC(C3CC3)C3CC3)C[C@@H](C1)C2 697304819 PULBEIUAIGQRPT-MVVMVCHASA-N 273.464 4.537 30 10 CJEE Cc1cc(NCc2ccc(C)c(C#N)c2)c(Cl)cc1F 701831634 YWXVAYJDYKYLKL-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)s1 701877294 ZSYINVUTILZGLB-SNVBAGLBSA-N 257.830 4.654 30 10 CJEE C=CCCCCCC(=O)c1cccc2ccncc12 702850670 JUJZUJYHKUWQER-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(CC)cc1 703955983 WRQKOKHHZBBMDE-OAHLLOKOSA-N 259.437 4.892 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)NCC 708043063 XHADSBZPUIIMHX-SJORKVTESA-N 271.489 4.656 30 10 CJEE C=CCSC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 708594624 HKHHBRCCUBGJDD-CYBMUJFWSA-N 290.259 4.563 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCCC(F)(F)F 709358013 XAAQUKSQBSLRIY-BFHYXJOUSA-N 277.374 4.832 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@H](C)c2cccc(Cl)c2)N1 716910476 PAOIFUBWHOLPCQ-MISXGVKJSA-N 296.867 4.651 30 10 CJEE CC1(C)OCC[C@@]1(C#N)CCc1cc(Cl)cc(Cl)c1 722124778 SLEFPGQYRVCHSD-OAHLLOKOSA-N 298.213 4.635 30 10 CJEE C=C1CCC(C[C@@H](N)c2ncc(Cl)cc2Cl)CC1 724550665 VYVSUKBKRAWVAL-CYBMUJFWSA-N 285.218 4.525 30 10 CJEE C=C1CCC(C[C@H](O)C[C@H](C)CC(C)(C)C)CC1 724553493 SHKJYSZWBZCBFA-GOEBONIOSA-N 252.442 4.946 30 10 CJEE CSc1ccc2c(c1)CC/C(=C\c1ccccc1)C2=O 748146270 HEGVHGRQXRLUOG-RVDMUPIBSA-N 280.392 4.621 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 1137483574 FVLMPWLVITURPK-JKIKYLSZSA-N 297.442 4.827 30 10 CJEE C=C(CC(C)C)C(=O)N(CC1CC1)c1ccc(CC)cc1 1158640919 JPALUDHLRLSWQB-UHFFFAOYSA-N 285.431 4.594 30 10 CJEE C=CCC[C@H](Nc1ncnc2ccccc12)c1ccccc1 1162868499 SXJQKEGXHZFAGV-KRWDZBQOSA-N 289.382 4.749 30 10 CJEE C#CCCCCCCN1CC[C@@H](c2ccccc2)C1(C)C 1171279934 XFADTCGOXUMCJP-IBGZPJMESA-N 283.459 4.838 30 10 CJEE C=CCCCCCCCNCc1sccc1C 1178860121 SDFMKTSHGAWNPU-UHFFFAOYSA-N 251.439 4.673 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1181880460 WHLHTIKTBBEVCI-JKSUJKDBSA-N 297.364 4.897 30 10 CJEE C=CC[C@H](C)N(C)Cc1ccccc1-c1ccccc1 1190707662 LHFMJGKRTMULLQ-INIZCTEOSA-N 265.400 4.750 30 10 CJEE C=CCC1(NC[C@@H]2C(C)=CCC[C@H]2C)CCCCC1 1205812481 JGGZWMVSTCUDJN-IAGOWNOFSA-N 261.453 4.847 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 1228376220 WVGCXYFRBAHWRO-FVQHAEBGSA-N 294.483 4.637 30 10 CJEE C=CCCCCCCCCNC(=O)N1C[C@@H](C)C[C@H](C)C1 1251609009 LWIOBEBFALKJRT-IRXDYDNUSA-N 294.483 4.591 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc2c1OCCCO2 1308912281 VSHHALQIUBXBGN-HNNXBMFYSA-N 289.419 4.785 30 10 CJEE C#C[C@@H]1CCCN(C(=O)C[C@H](C)CCCCCCCC)C1 1452474383 HJVGIPCJAFMZCN-QZTJIDSGSA-N 291.479 4.635 30 10 CJEE C=CCC1(C(=O)NCC2(C)CCCCC2)CCCCC1 1460621561 BXRFWSQTZLZNGY-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C#Cc1ccc(CN(CC)[C@H](CC)c2ccccc2)cc1 1461936080 AGVKHQYIDZNAJS-HXUWFJFHSA-N 277.411 4.641 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1cc(C)cc(C)c1 1462426817 MVJKCTOLGFOBKI-RBUKOAKNSA-N 271.448 4.570 30 10 CJEE C=CCCCN(CC)C/C=C/c1c(C)cc(C)cc1C 1462634739 MNEQAIFMUJYCTI-ZHACJKMWSA-N 271.448 4.913 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)CCCC1 1474626743 ZTXLRUSEMNDSDA-IXDOHACOSA-N 263.469 4.927 30 10 CJEE C=C(C)[C@@H](NC(=O)[C@H](C)CCCC)c1ccc(F)c(F)c1 1523652604 WPUNMIVTWAVUMY-MLGOLLRUSA-N 295.373 4.525 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1538840505 VUMYNXMGMBIYEG-MRXNPFEDSA-N 299.458 4.605 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC2(CCC2)C1)c1ccccc1 1543528339 QSDKZJMWXKBCTE-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=C(C)CCNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1543935704 QAVRTZJKTDIZEY-UHFFFAOYSA-N 297.398 4.766 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2ccccc2)c(Cl)c1 1560395432 NZGHPLMWGROIBD-ZDUSSCGKSA-N 271.791 4.671 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)C(C)(C)CC 1562692459 JEFBVFSUICHAPX-CQSZACIVSA-N 288.435 4.751 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(CC)cc2)cc1 1614825367 FEGGLRGNYDKNGS-UHFFFAOYSA-N 278.395 4.828 30 10 CJEE C=C(CC)C(=O)N(CCCCC)Cc1ccc(Cl)cc1 1618023368 DLILPKHNRMTDRQ-UHFFFAOYSA-N 293.838 4.825 30 10 CJEE C#Cc1ccc(NC(=O)/C=C/[C@]2(C)CC[C@@H](C)C2(C)C)cc1 1618689406 KZUZLIYQTKYQHC-PUCUSYBCSA-N 295.426 4.625 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCc2cccnc21)c1ccccc1 1621499790 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OFJQBVWKPUUVQU-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CCCCCC1(F)F 2164915824 XVQWKPLGIPIGAH-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE C=CC1(Cn2c(S)nc3cc(C(F)F)ccc32)CCC1 2168007216 HJIALYCDFMDLKA-UHFFFAOYSA-N 294.370 4.619 30 10 CJEE N#C[C@]1(C[C@H]2CCC3(CC3)C2)CCc2ccccc2C1 2169081152 YHVSVBAIPRHPQJ-KXBFYZLASA-N 265.400 4.656 30 10 CJEE C=C(C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)(C)C)OC 2171021900 KCOUNODYRIWSIU-GVDBMIGSSA-N 281.484 4.757 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2cnc(C(C)(C)C)s2)C1 2172971696 UISQZIYWXVVNKN-QGZVFWFLSA-N 293.476 4.769 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)c(F)c1 2173291163 WNJXHTJZPXWKFC-IINYFYTJSA-N 289.316 4.707 30 10 CJEE CCC(CC)(CC)[C@@H](O)[C@]1(C#N)CCCCC12CCC2 2173616479 UNSIBFLBUCCQQH-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CCc1ccc(Nc2cc(Cl)c(C#N)cc2F)cc1C 2177393322 PZYJALXPWOPHNB-UHFFFAOYSA-N 288.753 4.965 30 10 CJEE C=CC1(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCCC1 2178142700 JOXLDUXPGHMXDH-KBPBESRZSA-N 289.385 4.834 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CSc3ccccc32)CC1 2181643963 TUYQWXKSWLAKJN-CZUORRHYSA-N 286.440 4.828 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(F)c(F)c2F)CC1 2181662396 MLANUBOTNFUSDX-SNVBAGLBSA-N 282.305 4.669 30 10 CJEE CC[C@@H]1C[C@H](C)SC(=NCCC23CCC(CC2)CC3)N1 2184900122 RLCZIDMCJKMHOZ-UJEKJILKSA-N 294.508 4.597 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@](O)(CC)CCC(C)C 2186055423 JLKKDACMXYSGIT-OKZBNKHCSA-N 283.500 4.534 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C1(CC2CC2)CCC1 2189890255 QJPIFSACIXJARP-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C=O)CCOC12CCCCC2 2190280503 UGPVVKWYGPDQBX-SJORKVTESA-N 280.452 4.901 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C#N)CCOC12CCCCC2 2190622569 XBDKKVONXDQBTA-IKGGRYGDSA-N 275.436 4.836 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCOC2CC2)C1 2190868029 VFMNOKPMGUCZSU-SQWLQELKSA-N 295.492 4.643 30 10 CJEE CCCC1CCC(CN=C2N[C@@H](C)C(C)(C)CS2)CC1 2192870042 URBVUKUMABBIEC-NFOMZHRRSA-N 296.524 4.700 30 10 CJEE CCCCCCCC[C@H](NCC)C12CCC(CC1)OC2 2192887928 GPNCZRPKIMWCOF-ADKAHSJRSA-N 281.484 4.674 30 10 CJEE CC[C@H]1CC[C@H](C[C@@]2(C=O)CCc3ccccc32)CC1 2193009494 ZUHOQEXTLMQMAT-GPMSIDNRSA-N 270.416 4.676 30 10 CJEE CCCCC[C@@H](CC)N(C)CC1(C=O)CCC(C)CC1 2193568432 RTNCVEXQXSDYAL-LXPRWKDFSA-N 281.484 4.673 30 10 CJEE CCCC[C@H](CC)N=C1N[C@H](CC2CCCCC2)CS1 2193741053 KMWONIHAFRWGHQ-JKSUJKDBSA-N 296.524 4.987 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc2c(s1)CCCC2 2196169340 BLWOYZWGVBVVFI-INIZCTEOSA-N 289.488 4.861 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCCC[C@@H]1NCC 2196724110 FQFXCFSVJIVXLV-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCN(C)[C@H](c1cccc(Cl)c1)[C@@H](C)N 2196728063 KDZNHZSDAWEGPQ-PBHICJAKSA-N 296.886 4.631 30 10 CJEE C#CC[C@@H](C[C@H](NCC)C1(C(C)(C)C)CCC1)C1CC1 2196837292 PRBNJNIMUVYKJJ-IRXDYDNUSA-N 275.480 4.621 30 10 CJEE CC=C(CC)C(=O)C1(O)CCCCCCCCCCC1 2197795899 BQAIXERXRGXBLW-UHFFFAOYSA-N 280.452 4.948 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1C1CCCC1)NN 2200510313 HWEREEMDJKUMAP-KURKYZTESA-N 280.500 4.785 30 10 CJEE CCC1CCC(C=O)(Cc2cc(C)cc(C)c2C)CC1 2203041369 KVQJXZOJQFMLTO-UHFFFAOYSA-N 272.432 4.940 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CCCCC(F)(F)C1 2203789138 ASZDYLNNQIZNDY-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1CC(C2CCC2)C1 2203833624 NUFBAQNYDQPVQV-CTWPCTMYSA-N 275.480 4.765 30 10 CJEE CCCCCC#CCC(=O)c1cc(C(C)(C)C)ccn1 2203875200 CKRCDDOZMLIFSI-UHFFFAOYSA-N 271.404 4.536 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2CCC3(CC3)CO2)CC1 2205233001 UIOLJRLRHYZXLW-QAPCUYQASA-N 278.436 4.511 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc(C(F)(F)F)cn1 2206894070 GURSKTOTSLXBJS-CYBMUJFWSA-N 286.341 4.627 30 10 CJEE C=CCCCCCC[C@H](NCCC)C1(OC)CCCC1 2206894904 ORNDVAQHFIHIBE-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc(OCCF)c1 2206901974 GFGRBDJPMHHZAV-QGZVFWFLSA-N 279.399 4.561 30 10 CJEE C=CCCCCCCC(=O)[C@](O)(c1cccs1)C(C)C 2206903147 PNHVAZBZYCJUID-KRWDZBQOSA-N 294.460 4.687 30 10 CJEE C=CCCCCCC[C@H](O)c1ccccc1OC(F)F 2206991167 RMFQETLPWVVCEY-AWEZNQCLSA-N 284.346 4.848 30 10 CJEE C=CCCCCCCCCN1C[C@H](C)OCC(C)(C)C1 2207382124 OQHNYUJYSSZAQJ-KRWDZBQOSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2207395560 FKJONWARRYDSDN-QXCZDIPSSA-N 275.480 4.785 30 10 CJEE C=CCCCCCCCCC[C@](C)(O)[C@@H]1CC[C@H](N)C1 2207396000 JIDIOSOAOSEGPN-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCCC[C@H]1CN 2207402871 FPUKTNKMICIWBM-DLBZAZTESA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCC[C@]1(O)C[C@H](OC)C1(C)C 2207424987 LLMVDAHKPQWBSY-WMZOPIPTSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@H](O)C[C@](C)(N)C1CCC1 2207440440 VKGPSNFCUZOCHM-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1sc(C)c(C)c1C 2215538235 OAUVNVCBWXLCAK-HZMBPMFUSA-N 251.439 4.536 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cc(Cl)cc(Cl)c1 2216167981 CHNMSYCQFHOWMQ-HZMBPMFUSA-N 272.219 4.999 30 10 CJEE CCC#C[C@H](CCCCCCCCC)NCCC 2218437280 GTBFRBQASXLINK-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](SC)C1CC1 2221153331 LWIDRYGPULMPOQ-JKSUJKDBSA-N 269.498 4.762 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(F)CCCC1 2223852212 AVUSRVRPICUQMA-OAHLLOKOSA-N 257.437 4.997 30 10 CJEE CCCCCCCCC(=O)[C@@H]1OC[C@@H]2CCCC[C@H]21 2224948108 IMKCEIQBBNBMTC-ZMSDIMECSA-N 266.425 4.511 30 10 CJEE C=CCCCCCCCC(=O)c1cc(COC)cs1 2227289253 SPOXTZLLNGYZIF-UHFFFAOYSA-N 280.433 4.994 30 10 CJEE C=C(c1ccccc1)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2229476276 UMRUSBDBAXGQJE-INIZCTEOSA-N 293.193 4.914 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CCCC(C)(F)F 2229849797 BEKMYXDNYJGCDR-AWEZNQCLSA-N 273.411 4.620 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@]1(C)C1CC1 2230414000 ZUVYMXJCLCXGMJ-INIZCTEOSA-N 283.525 4.767 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)CC1CCCCCC1 2231085464 USRROISFPYNSGG-UHFFFAOYSA-N 274.791 4.621 30 10 CJEE CCCCCCCC[C@@]1(C)CC(=O)N[C@H]1CCCC 2231850829 JYLWPVNPTDQDMK-RDJZCZTQSA-N 267.457 4.822 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc2occc2c1 2232354607 FCBFELDTVJSVJT-SUMWQHHRSA-N 253.345 4.695 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@@H]1C(F)(F)F)NN 2232632552 VUKSGFZBZFDUHG-MJBXVCDLSA-N 294.405 4.548 30 10 CJEE C#C[C@@H](CC(C)C)NCc1ccc(-c2ccccc2)s1 2234702043 HMOJWBGQRQFVIZ-INIZCTEOSA-N 283.440 4.553 30 10 CJEE C=CCCCCCCC[C@]1(C=O)C[C@H](OC)C12CCC2 2235518648 IPZPCLSMQIAIQV-DLBZAZTESA-N 278.436 4.677 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(F)c(OC)c1 2235522739 XRQFMFBQFCUAQN-INIZCTEOSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCCO[C@H](CNC)C1CCCCC1 2235533334 SVJVFBIKEKAXBC-GOSISDBHSA-N 281.484 4.698 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]1(C)C=CCN1 2237103568 SRONLCCVRRNMST-GOSISDBHSA-N 279.468 4.785 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)C1)C1CCCCC1 2238160349 YLRHHPOLRCCNSC-SQNIBIBYSA-N 275.480 4.763 30 10 CJEE CC(C)(C)C#CCCNc1ccnc2cc(Cl)ccc12 2239117107 HCOSRFGLQSUOGM-UHFFFAOYSA-N 286.806 4.740 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](NCC)[C@]1(C)CC 2239493278 RHLZORGNNBRVME-KURKYZTESA-N 283.500 4.920 30 10 CJEE C=CCCCCCOc1ccccc1CN[C@@H](C)CC 2240181751 BAEMIAZYBFYYAV-INIZCTEOSA-N 275.436 4.700 30 10 CJEE C[C@@](C#N)(CCCC(F)(F)C(F)(F)F)c1ccccc1 2240428381 CPEWMLQSPDBDPB-LBPRGKRZSA-N 291.263 4.836 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CC[C@H](C1)O2 2240614618 SGVFAHFRJRAAIK-MHORFTMASA-N 281.484 4.802 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C1=CCCCCC1 2240637354 HXSNOFCYYQSDKC-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCCC(F)F)NC 2240638500 VBPXHOTWNLWPOA-GDBMZVCRSA-N 293.442 4.511 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1scc(C)c1C 2240639875 KCPRIMQTCKIPSC-SJORKVTESA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](C)c1c(C)cnn1C 2240643783 BRNDGFLBSOSRSZ-JKSUJKDBSA-N 279.472 4.518 30 10 CJEE C=CCCCS[C@@H](C)C(=O)c1ccc(Cl)s1 2244563694 IGJYSDYJKUWYAZ-VIFPVBQESA-N 274.838 4.672 30 10 CJEE N#Cc1ccc(SCC2=CCCC2)c(Br)c1 2246281100 IMOKOSNGNZCCJS-UHFFFAOYSA-N 294.217 4.523 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(Cl)cc1C#N 2249873332 DNFVPHILOCTQHC-CYBMUJFWSA-N 251.757 4.559 30 10 CJEE C=CCCCCCCCSC[C@H](O)CC(C)C 2250027786 IMTCOMWWDMZPHO-OAHLLOKOSA-N 258.471 4.653 30 10 CJEE C=CCCCSc1ccc([C@@H](C)NC)c(Cl)c1 2250064779 GQFDIFZWCVWIRA-LLVKDONJSA-N 269.841 4.679 30 10 CJEE C[C@@H]1CC[C@H](OCCCCCCCS)C[C@H]1C 2252622625 ILHBSUPUYBTKOW-KFWWJZLASA-N 258.471 4.708 30 10 CJEE SCCCCCCCOCC=Cc1ccccc1 2263144273 FJVCKRXVPFDYKQ-UHFFFAOYSA-N 264.434 4.597 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2(C)CC(F)(F)C2)C1 2263679954 FKCDGMAHANGUMS-CQSZACIVSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1cnsc1 2264361752 XJAYLOPGGOGZBU-MRXNPFEDSA-N 283.481 4.967 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2CC(F)(F)C23CCC3)CCS1 2266260626 NWKHFLVFJSIXOZ-UPJWGTAASA-N 285.403 4.627 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCCCCC1(C)C 2268732981 VCSUPWMOIVMYLJ-SFHVURJKSA-N 262.437 4.704 30 10 CJEE CC(C)Oc1cccc(CC=CC#CC(C)(C)C)c1 2268753457 XISAROJNRYSYNG-UHFFFAOYSA-N 256.389 4.622 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CCC(C)(C)C 2268827951 CIVKTUNRGWEZCF-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CC(C)=CCC[C@H](C)CCOc1cccc(C#N)c1 2269639258 FRGRGFPRWXVUMI-HNNXBMFYSA-N 257.377 4.710 30 10 CJEE C[Si](C)(C)CC1CC(Nc2ccc(C#N)cc2Cl)C1 2270784945 HXTUDHCMPDSXDY-UHFFFAOYSA-N 292.886 4.740 30 10 CJEE C=CCCCCCCC[S@@](=O)[C@@H](C)CC(C)(C)C#N 2271517989 WCUYBVRHFODNDA-HNAYVOBHSA-N 283.481 4.590 30 10 CJEE C=CCCCCCCCS[C@@H]1CC2(CC[C@@H]1N)CC2 2271593026 ZHKXOMQEZHUAEZ-JKSUJKDBSA-N 281.509 4.906 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc2ccccc2o1 2271785441 MYQRVYZEOSVFAG-OAHLLOKOSA-N 257.377 4.830 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@H]1CC12CCC(F)(F)CC2 2271795669 AHEIHFKJMRRUBP-KBPBESRZSA-N 272.379 4.699 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](C)c1ccccc1 2271833942 XFFAONKAVDKWNI-AEFFLSMTSA-N 259.437 4.905 30 10 CJEE CCCC#CC[C@H](NCCC)[C@]12CCCC[C@@H]1CC2 2273317442 OGXFWTBVJPJYPD-SQNIBIBYSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](NC)c1csc(C(C)(F)F)n1 2273708044 WVNJUGGVXPBIFA-LLVKDONJSA-N 290.423 4.876 30 10 CJEE CCCCCCCCCC1(OCCCN)CCCC1 2276633689 LRRVUCSRGWPXTB-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@@H]1CC 2276637435 XBQCIDDSTZOVSM-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1ccc(C)s1 2276830543 WZKRDOGKHRHGAW-INIZCTEOSA-N 283.481 4.608 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccccc1O 2278155828 KMAWKMZOYYAADU-KRWDZBQOSA-N 264.409 4.740 30 10 CJEE CCCCCCCCNCc1cnc(C(C)(F)F)s1 2278645909 LFZYCUKCBTXYHS-UHFFFAOYSA-N 290.423 4.705 30 10 CJEE N#Cc1cc(Cl)ccc1OCC[C@H]1CCCCC12CC2 2279653676 YVEWMHCNQOCHFI-CQSZACIVSA-N 289.806 4.951 30 10 CJEE CCCN[C@@](C#N)(CSCC1=CCCCC1)CC(C)C 2281257048 YNEOBRAYSAPZHR-KRWDZBQOSA-N 294.508 4.528 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C[C@@H]1CCCC12CC2 2281312696 BEKUYZJUONMQSL-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@H](C#Cc1ccccc1F)NCC 2281378657 QWKJYMIVQJKUIY-KRWDZBQOSA-N 275.411 4.516 30 10 CJEE Cc1cc(NCC[C@H]2CCCC23CC3)cc(C)c1C#N 2281473333 CEOFLTGQRDUXPP-OAHLLOKOSA-N 268.404 4.557 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@]12CCCC[C@H]1CCC2 2284135068 LCQLIPLCZCPKTO-LNLFQRSKSA-N 274.448 4.704 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@](O)(CCC)C(C)(C)C 2287389019 YZXFDMCYELVAHS-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE C#CC1(NCC[C@H]2CCC[C@@H](C)C2)CC2(CCCC2)C1 2288205551 AQZNMCZNUDEMKE-IAGOWNOFSA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cnc(C(C)C)s1 2289617996 XISIPYWUBWIJGI-OAHLLOKOSA-N 290.476 4.501 30 10 CJEE O[C@@]1(C#CC2CCCC2)CCCC[C@H]1C1CCCCC1 2289772334 HLCVVQQWSPHXRN-RBUKOAKNSA-N 274.448 4.682 30 10 CJEE CCCNCC1(CC#CC2CCCC2)CCCCCC1 2289898611 GDYBBUKSCBSODQ-UHFFFAOYSA-N 275.480 4.910 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)c1cnsc1 2292690525 JICMSFSYGKDOEC-MRXNPFEDSA-N 298.496 4.690 30 10 CJEE C=CCCCCCC[C@@](C)(CCC=C(C)C)OCCN 2292791863 JQPXYIJNUAWHAR-SFHVURJKSA-N 281.484 4.993 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)[C@H](CC)CCC)CC1 2292909861 SDFVKHNZQZIWSP-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)C1[C@H]2CCCC[C@H]12 2293025168 FLYIKKSMLZWYMT-ULQDDVLXSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@@]1(OCCN)C[C@@H](C)CC(C)(C)C1 2294034294 YCHZKHHSPQGTTC-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)C1CC(C2CC2)C1 2294419460 KYLMOHKFIJARMT-ABHNRTSZSA-N 281.484 4.517 30 10 CJEE C=C1CC([C@@H](NCC)c2ccc3cc(Cl)ccc3n2)C1 2294967354 NOSUUJJDQJQONI-QGZVFWFLSA-N 286.806 4.505 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)CC1CCCCC1 2295211281 IHJGRZNTIJKKES-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CC(C)c1ccc([C@H](O)C#Cc2ccccc2Cl)cc1 2295218402 CEEHKRRZBYCLTQ-GOSISDBHSA-N 284.786 4.549 30 10 CJEE CCCCCCCCC[C@@]1(C)O[C@@]1(CC)C(=O)OCC 2295673915 LZWXITDYISYWGU-SJORKVTESA-N 284.440 4.628 30 10 CJEE C=C(C)C[C@H](O)c1cc(C(F)(F)F)ccc1C(F)(F)F 2295805450 GRBCRTLJYFLJGU-NSHDSACASA-N 298.226 4.724 30 10 CJEE CC(C)[C@H](C)[C@H](C)OC[C@@](C)(CS)C(C)(C)C 2307144326 FCBMHPNGMDKNMP-YDHLFZDLSA-N 260.487 4.666 30 10 CJEE Cc1ccccc1CSC[C@H](CS)CC(C)C 2308062663 RAVILQHAPVNKLL-AWEZNQCLSA-N 268.491 4.820 30 10 CJEE C=CCC(CC=C)S[C@H](CC#N)c1ccccc1 2313663529 YKDNZUQDSIYTKT-MRXNPFEDSA-N 257.402 4.895 30 10 CJEE CCCC[C@](C=O)(CC)C(CC1CC1)CC1CC1 2313665695 DFMCFNAQEMICJQ-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)NCC)c(C)c1 2313690448 XIUFFDAPGDXUGE-KGLIPLIRSA-N 263.450 4.722 30 10 CJEE C=CC[C@H](C)Sc1c(Cl)cccc1CNC1CC1 2313694907 IZBWYNHABJRFQS-NSHDSACASA-N 281.852 4.649 30 10 CJEE C=CCCCCCCN(C)C[C@@](C)(CC)C(F)F 2315107391 OQXXBKZSFFMGQX-OAHLLOKOSA-N 261.400 4.736 30 10 CJEE C=CCC(CC=C)[C@]1(CO)CCCC(C)(C)CC1 2316713638 ZDWFANXWRCGEQF-QGZVFWFLSA-N 250.426 4.724 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2316995470 VLDDRVWAFHBQGB-AWEZNQCLSA-N 285.214 4.919 30 10 CJEE CCCCCCCCN1CCC[C@@H]2C[C@H]1C2(C)C 2321049966 SFZNORFOPQRCGG-CVEARBPZSA-N 251.458 4.857 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(F)cc1Cl 2321176473 DHBCJBZHIBYWTD-OAHLLOKOSA-N 268.759 4.583 30 10 CJEE C#CC[C@H](C)C[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327872002 FVWMTFIWXCLIJA-HZMBPMFUSA-N 284.230 4.612 30 10 CJEE C=CCC(CC=C)Sc1cc(N)cc(OCCC)c1 2335099750 BLXMZULPJUOEOQ-UHFFFAOYSA-N 277.433 4.671 30 10 CJEE CC1(C)CCCCCN1c1cc(Cl)c(F)cc1C#N 2335169931 JHOSMSBZIUXOEM-UHFFFAOYSA-N 280.774 4.510 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(F)cc(Cl)c1 2337079912 ZPBKJUYYHPMFNQ-MQIPJXDCSA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@]1(CNC2CC2)CCC[C@H](C)C1 2338727650 MRZKDWFYEHKOEZ-MAUKXSAKSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C 2338732678 LASUCDMQVZFZDV-HFTRVMKXSA-N 263.469 4.805 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCCCC1(F)F)NCC 2344339723 LRNQYNOVPSYXHQ-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC12CCCCC2)NC 2344341514 CEHCVEIIJMYRJK-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(C2CC2)c1 2344347615 CRDBLMLGXLJQNT-ZWKOTPCHSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C(F)F)cc1 2344383401 SBDNPYOGCGATPE-GDBMZVCRSA-N 267.363 4.877 30 10 CJEE C=CC[C@H](CC[C@@H]1CCC(C)(C)C1)CNC1CCC1 2344870828 FRNDEULJGIJWHB-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCCCCCCN(C)Cc1c(F)cc(O)cc1Cl 2351672661 VNACQFLNODYRJB-UHFFFAOYSA-N 287.806 4.587 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)C[C@@H]1CCOC1 2353005354 ZXGCSXYYNMMTFD-CVEARBPZSA-N 268.441 4.759 30 10 CJEE CSc1cc(N[C@]2(C)CCCC2(C)C)ccc1C#N 2353824193 JRFNNCORFNNZOB-MRXNPFEDSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1C[C@@H]2CC[C@H]1O2 2360175177 AFAKMXGOBFJHMX-FJIDUMEYSA-N 281.484 4.802 30 10 CJEE C=CC[C@H](C)S[C@H]1CC(C)(C)C[C@](C#N)(NC(C)C)C1 2360333560 MEDBJZYAAIWOEN-YQQAZPJKSA-N 294.508 4.523 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)cc1Br 37071964 KBWXQTDBVMDNQM-LLVKDONJSA-N 295.224 4.701 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Sc1ccccc1F 37334153 WHHMSIXTIJJDGP-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE C=C(C)[C@H](C)N(Sc1ccccc1)C(=O)OC(C)(C)C 39003414 XMXNSHVPTGDZGY-ZDUSSCGKSA-N 293.432 4.895 30 10 CJEE CC(C)N[C@@](C)(C#N)CCSc1ccc2ccccc2c1 45219771 LSRDDTYEDQJGGE-GOSISDBHSA-N 298.455 4.602 30 10 CJEE N#Cc1c(Cl)cccc1SC1CCCCC1 48935564 BEQXZCKSXIYHCE-UHFFFAOYSA-N 251.782 4.636 30 10 CJEE Cc1ccc(OCCC[C@@](C)(C#N)c2ccccc2)cc1C 57687508 HZVKFMZMEXKUAX-FQEVSTJZSA-N 293.410 4.944 30 10 CJEE Cc1ccc(C)c(C[C@@H](C#N)c2cc(C)ccc2C)c1 57760064 BTKGHGYZLCAKSJ-SFHVURJKSA-N 263.384 4.770 30 10 CJEE CCc1sc(-c2ccc(Cl)s2)cc1C#N 77098000 JAGJWFQFTHCZNL-UHFFFAOYSA-N 253.779 4.564 30 10 CJEE CC1(C)CCC[C@@H](Nc2cccc(OCCCC#N)c2)C1 79977923 RDLMZOCZBOXODL-MRXNPFEDSA-N 286.419 4.750 30 10 CJEE Cc1ccccc1CSCC[C@@H](C)CCS 87098066 GBNGTPNPBLBKTP-LBPRGKRZSA-N 254.464 4.574 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCC[C@@H](CC)C2)s1 87973003 OMSHHHHGBABQCL-CZUORRHYSA-N 261.434 4.963 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccsc2)CC1 91880683 NWGFGEHKBITNPF-BBBYJDLNSA-N 277.433 4.528 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(Cl)s2)C1 91883348 NVRCUXSHBVAYPD-HONMWMINSA-N 283.824 4.545 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@@H](C)C[C@@H]2C)CC1 91887348 UOTGGTMWBUKMDN-VGAKTEPXSA-N 277.452 4.674 30 10 CJEE CC(C)(C)[C@H](CS)COc1ccc2c(c1)CCCC2 94585736 FKFSMBKVRUVDRW-HNNXBMFYSA-N 278.461 4.536 30 10 CJEE SC[C@H](COCc1cccc(Cl)c1)c1ccccc1 94585882 QNJLSDLCKPYLOY-HNNXBMFYSA-N 292.831 4.570 30 10 CJEE CCCCCCCN(CCC(=O)O)c1ccccc1CC 105478829 FGDOSGDWMSGGFU-UHFFFAOYSA-N 291.435 4.501 30 10 CJEE CCCCCCOc1ccc(C[C@H](C)CS)cc1 107576343 BFTBHOHIOKODBW-AWEZNQCLSA-N 266.450 4.754 30 10 CJEE Cc1c(F)cc(C#N)cc1NCC[C@H](C)c1ccccc1 109886318 HMEZJWBTFRSXEM-ZDUSSCGKSA-N 282.362 4.612 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2nccnc2c1 109903941 OHNCWGVXRNHZCN-AWEZNQCLSA-N 271.408 4.791 30 10 CJEE CCCCCCCO[C@H]1C[C@H](CCC)CC[C@@H]1NCC 110081429 NDSYHOCKWGGVOJ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@](C)(Nc1ccccc1F)C(=O)OC 110320798 DKEFAMKSJYFGAQ-KRWDZBQOSA-N 295.398 4.530 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](CC)C1 114054540 VDZZXGIIPZXHMW-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCNc1c(Cl)ccc2nsnc12 115079731 MIIZGURTPXLNML-UHFFFAOYSA-N 283.828 4.727 30 10 CJEE CCCCCCCC[C@H](NCC)C(C)(C)N(CC)CC 118142104 QLJLCKOSZUDORI-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCCCCC[C@H](CNCC)c1ccccc1F 118862597 RRXXPRKMVNSSIU-OAHLLOKOSA-N 265.416 4.879 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1nccn1C 122407279 ZKCVTPXTGVYYER-MRXNPFEDSA-N 279.472 4.731 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](CCC)OC 122562995 AJYUKKXBVMYCDH-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CCCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CN 126131032 RADFIGVSTVZGQS-BRWVUGGUSA-N 253.474 4.994 30 10 CJEE N#Cc1ccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)cc1 130013478 AAQRHPZMCSGBKC-QPEQYQDCSA-N 298.704 4.575 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(C)cc(C)c1 131338358 WJOQDPWLRNVVMW-SFHVURJKSA-N 276.468 4.949 30 10 CJEE CCSc1cccc(OC2C[C@H](C)C[C@@H](C)C2)c1C#N 136719917 QFOYMGRTALLJAT-CHWSQXEVSA-N 289.444 4.874 30 10 CJEE CC(C)c1ccc(CNCc2ccc(C#N)cc2Cl)cc1 162683534 WVQNVNIPFKVDAF-UHFFFAOYSA-N 298.817 4.625 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1C 164507523 DUHYRPFABLXLES-NTZNESFSSA-N 297.320 4.781 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCCNC1 166565434 GATOZYIXRDOXNC-KRWDZBQOSA-N 281.484 4.866 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)CC1 168254678 MZTLJFVZJGLIAX-CABCVRRESA-N 274.383 4.714 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2cccc(Cl)c2Cl)CC1 228852829 UEDAZQNYNLNYKR-SNVBAGLBSA-N 283.198 4.851 30 10 CJEE C=C(C)C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC 229739258 PRSHQHSXIANOEZ-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCCCCC[C@H]1CNCC(CC)(CC)O1 232943914 BWUHTEXZCGIHBS-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ncccc1CC 233124938 AUNFFNUALPDACG-KRWDZBQOSA-N 274.452 4.821 30 10 CJEE Cc1nc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)oc1C 235966005 QZKVEKXBTRMUEV-HZSPNIEDSA-N 292.448 4.738 30 10 CJEE C=CCCCCC[C@H](N)Cc1cccc(C(F)(F)F)c1 236301593 YGCNLFYZTLUJLA-HNNXBMFYSA-N 285.353 4.712 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC1CC1 250516450 HENCOHNYHOVSCV-ARFHVFGLSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](N)CC[C@H]1C 250822363 LUVONRQVRKFCMN-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)c1cccc(C#N)c1 252424261 GEELFQDOAVXAHC-OHDICMOHSA-N 284.447 4.670 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253048307 ROLZSFKGXLWIKN-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE N#Cc1sc(-c2ccccc2Cl)cc1Br 259367102 ZXWBCCRSZXCZSI-UHFFFAOYSA-N 298.592 4.703 30 10 CJEE CC(C)(C)CCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 302298991 MPCBETFDLUYRDG-SNVBAGLBSA-N 298.213 4.996 30 10 CJEE N#C[C@@H](Sc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 302375534 MDFBWWHINUYWMI-LWWSYDQCSA-N 277.820 4.760 30 10 CJEE CC(=O)/C(C)=C\c1c(Cl)ccc(Cl)c1Cl 308774518 PBLOHIJRUPZSJU-WAYWQWQTSA-N 263.551 4.639 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2nc3ccccc3cc2C)C1 312249033 IRDMJSFNMGKZCL-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE CC1(C)CCC(C=O)(Cc2nc3ccccc3s2)CC1 317630629 WAQSUWQWYZFLAR-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE CC(C)CC[C@@H](NCC1CCC(C#N)CC1)c1ccoc1 353592041 ZNVPZYNFCPAAAS-LEOMRAHMSA-N 288.435 4.676 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1c(C)cnn1C 380029454 JCCRATMLPKEBQS-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)C(C)(C)C 382027810 QQNLTBBNZIYHIA-INIZCTEOSA-N 270.505 4.575 30 10 CJEE Cc1cccc(C)c1C#Cc1cc(Br)cs1 383411873 GYBWQCMEZKNIJR-UHFFFAOYSA-N 291.213 4.527 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Br)cc1 384727059 AJEACFYXVCOZQO-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE CC(C)C1CCC([C@H](O)[C@@]2(C#N)CCCC[C@@H]2C)CC1 384763751 QPMKOWPUPKDCGE-VLMYXLFRSA-N 277.452 4.530 30 10 CJEE C=CCCCCNc1ccc(C(F)(F)F)cc1F 385891321 DIAVTTAOBRJFFK-UHFFFAOYSA-N 261.262 4.613 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2Cc3ccccc32)CC1 388530289 LFEXQVPDZZCGJF-HNNXBMFYSA-N 253.389 4.827 30 10 CJEE C=CC[C@@H](CC)Nc1cc(C(F)(F)F)cc(Cl)n1 393836016 MDNUUVGNSBHJIZ-SECBINFHSA-N 278.705 4.520 30 10 CJEE CCC1CCC(C#N)([C@H](O)C(CC)(CC)CC)CC1 395250480 YKGWTSKDXUCMEW-ISXOHVOVSA-N 265.441 4.674 30 10 CJEE N#CCc1ccc2sc(Cl)c(C(F)F)c2c1 396186474 GHWIFNAUKYUVDZ-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Br)oc1C 396559048 VTTZAIJPFDFNBX-GFCCVEGCSA-N 289.213 4.744 30 10 CJEE CCC[C@@H]1CCCN1CCCCCCCCCS 396977286 PKBXEBCDJSLECA-MRXNPFEDSA-N 271.514 4.911 30 10 CJEE N#C[C@H](CSc1ccccc1Cl)C1CCCC1 397346272 NPVAPIVJLIRMNM-GFCCVEGCSA-N 265.809 4.762 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 398099323 GWZHFJRGMZNNAN-LUKYLMHMSA-N 251.458 4.782 30 10 CJEE CCCCCCCCC[C@H](N)CCC[C@@H]1CCOC1 400935393 ALTMLPAORNSYGU-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NC 403314048 CBXSPPQVRROKOA-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1c(Cl)ccc(C)c1C 489075228 QFNPTWYURVRQGY-CYBMUJFWSA-N 292.810 4.529 30 10 CJEE C=C(C)CCN1CCC[C@H]1c1nc2ccccc2n1C(C)C 509027475 DOMXCMMTVVZZLJ-SFHVURJKSA-N 297.446 4.720 30 10 CJEE C#CCCCCC[C@@H](O)CC12CC3CC(CC(C3)C1)C2 686685899 OTRIUXFSITXMQN-GSBYPIHSSA-N 274.448 4.538 30 10 CJEE C#CCCCCC[C@@H]1CCCCC[C@@H]1CNC1CC1 686691824 UWHJPJWLIRYXOE-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 686692584 FIWSWOINKQZKSK-OTWHNJEPSA-N 277.496 4.868 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(Cl)cc1OC 686701974 WKOROEJKIBSTPM-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CCCCCCCCC[C@H](O)CCCC(F)F 687840479 XNDMRIIYXZHLPV-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE Cc1c(N[C@@H]2CCCC[C@H]2C#N)cccc1C(F)(F)F 689659490 GEVFELPOVYGRPM-SMDDNHRTSA-N 282.309 4.508 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CCCSCC1 690326132 IGJVGFIZCQBIAN-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2s1 692252847 OSSYENLHPBCZGM-KGLIPLIRSA-N 286.444 4.521 30 10 CJEE CCCCCCC[C@@H](O)CC(C)(C)CC(F)F 693988467 VNJFASLVLFCRRK-GFCCVEGCSA-N 250.373 4.779 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC(C)(C)CC(F)F 694002578 ZVNQYZOOQDYDHS-OAHLLOKOSA-N 261.400 4.638 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1ccc(O)c2ccccc12 695889847 FTLCCMMNPOVLMA-GFCCVEGCSA-N 285.412 4.966 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](C)C(C)(C)C 698454230 XBZWVLGVBRQPPD-BFHYXJOUSA-N 296.455 4.596 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 709385041 ZLJCMJZZCHYBDE-AAEUAGOBSA-N 284.325 4.647 30 10 CJEE CCCCCCCC[C@@H](NC)C12CCC(CC1)C2 710978005 KEOYXLJEWYBBAB-AQFXKWCLSA-N 251.458 4.905 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCCc2ccccc21)C(C)(C)C 711247892 LOCMDBRJGDYNHD-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE CCSc1cccc(NC2CCC=CCC2)c1C#N 718125571 YPAKTQUYQRKGJY-UHFFFAOYSA-N 272.417 4.581 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)Nc1ccccc1 720351224 URAGVMARFKKZQD-QGZVFWFLSA-N 256.393 4.741 30 10 CJEE C=C1CCC(C[C@@H](O)C2CCC(CC)CC2)CC1 724542802 QKOJTYXCKWFAKQ-BDVYOWHSSA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@H](Cc2ccc(C)c(C)c2)NC)CC1 724549587 HBDNQRUIEKLOJO-LJQANCHMSA-N 271.448 4.570 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(Cl)s2)CC1 724549670 IDXNTWJXMMFCJV-NSHDSACASA-N 269.841 4.799 30 10 CJEE Fc1cccc(C#Cc2cc(Cl)cc(Cl)c2)c1F 725435912 IPUBETJITQEPCZ-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1nccnc1C)c1ccccc1 883327416 YIEIFFIDBSAXLT-FUHWJXTLSA-N 295.430 4.533 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(SC(F)F)c1 1125829647 GZJVUUYWPOTJNG-SNVBAGLBSA-N 285.359 4.542 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)CCCC)CCCCC1 1129029635 ZXQARILGUVSMBH-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=CCC1(C(=O)OCc2c(C)cccc2Cl)CCCC1 1129141628 SSZXCUDJBCFOMM-UHFFFAOYSA-N 292.806 4.828 30 10 CJEE C=CCCCCCCCNC(=O)/C=C(\C)c1ccccc1 1129580528 NNDHUVLWRDGRIZ-WUKNDPDISA-N 285.431 4.733 30 10 CJEE C=CCC1(C(=O)N[C@@H](C2CCCC2)C2CCC2)CCCC1 1130096574 FZUQBKQLPXAXMM-KRWDZBQOSA-N 289.463 4.598 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](C)c1cc2ccccc2o1 1131970897 XOFXDLIKCDJJGC-CQSZACIVSA-N 299.414 4.645 30 10 CJEE C=CCC1(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CCCCC1 1135506103 UYGBJSMXTKLJKQ-IRXDYDNUSA-N 289.463 4.552 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@H](OC(C)C)c1ccccc1 1176771192 HPVOJRRBXCQUKP-MOPGFXCFSA-N 287.447 4.583 30 10 CJEE C=C(C)CNCc1sc2c(Cl)cccc2c1C 1178705650 YEOVBZMMFCAKHS-UHFFFAOYSA-N 265.809 4.529 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(c3cccc(F)c3)CCC2)C1 1179537151 FYMYUYNWQDIILO-QAPCUYQASA-N 287.422 4.582 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc(CN(C)C)c(C)c1 1206239453 HEBVFCSGFBUDRC-QGZVFWFLSA-N 288.479 4.994 30 10 CJEE C=C(C)c1cccc(NC(=O)NCCCC2CCCC2)c1 1210292640 PCMXSYLJLOSTTH-UHFFFAOYSA-N 286.419 4.812 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1270145507 XXCHLANDDQGWSY-SJLPKXTDSA-N 297.442 4.982 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC(c2cc(C)ccc2C)CC1 1304658326 VJVVRIGBQPINBE-KRWDZBQOSA-N 299.458 4.612 30 10 CJEE C=CCN(Cc1cccs1)C(=O)CCCCC(C)(C)C 1351047957 ZGGNBQYGIPMCQZ-UHFFFAOYSA-N 293.476 4.869 30 10 CJEE C#CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)c1ccccc1 1356596180 QSLIGHFIGMKOFD-LJQANCHMSA-N 299.458 4.576 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 1358386749 VCHBBUCYQSMDLB-ZWKOTPCHSA-N 299.458 4.506 30 10 CJEE C=CC1(CC(=O)Nc2cccc3c2ccn3C)CCCCC1 1360481801 PFJJOHSZLZLRKB-UHFFFAOYSA-N 296.414 4.643 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)cc1Cl 1435381784 DDLQNGVXXFYEMW-CQSZACIVSA-N 287.186 4.639 30 10 CJEE C=CCN(C(=O)C[C@H](c1ccccc1)C(C)C)C(C)(C)C 1437777345 VHRFYLNVGRNDRA-KRWDZBQOSA-N 287.447 4.629 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C(F)F)cc1)c1ccccc1 1456548545 MYYZUJNZJOPEDR-OAHLLOKOSA-N 287.309 4.533 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 1457397377 RJLVXMBEJMAYBD-ZHALLVOQSA-N 299.458 4.631 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1ccc2c(c1)CCCC2 1462458543 OZASEJUAOLREKA-MRXNPFEDSA-N 285.475 4.688 30 10 CJEE C#C[C@@H](NC(=O)/C=C/CCCCCCCCC)C(C)(C)C 1468598923 ZBHKZCJLYUNBGD-INFVRCAFSA-N 291.479 4.847 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H](C)CCC(C)(C)C 1477949043 GQYVNXIETFWKAX-HNNXBMFYSA-N 282.472 4.637 30 10 CJEE C=CC1(CC(=O)N(CC(C)C)CC(C)C)CCCCC1 1523834945 REPVRJMVWRDHGA-UHFFFAOYSA-N 279.468 4.654 30 10 CJEE C=C(C)CCC(=O)N(CCC)[C@@H](CC)c1ccccc1 1524901636 GCBBHRRWXAOBEE-KRWDZBQOSA-N 273.420 4.733 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 1532388167 UODAUSXSLKMFCH-YJBOKZPZSA-N 280.367 4.569 30 10 CJEE C=CCCN(C)C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 1537461863 KSKNJXCBYAPDPI-UHFFFAOYSA-N 299.458 4.656 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1cnc2ccccc2c1)C(C)C 1586432765 FVZIGIPPJPNEMV-HNNXBMFYSA-N 296.414 4.579 30 10 CJEE C=CCCC[C@@H](C(=O)NCCCC1CCC1)c1ccccc1 1586548724 PCXXHMCKIQZBJG-LJQANCHMSA-N 299.458 4.823 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 1611264321 RQIJODKXCZUBHM-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=C(C)CCN[C@H](COc1c(C)cccc1C)C(C)(C)C 1616824029 LLNLAHKBGNNNRB-QGZVFWFLSA-N 289.463 4.653 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](CC)CC[C@@H]2C)c1 1628033674 HHADGIDAVGPBNU-LSDHHAIUSA-N 286.419 4.762 30 10 CJEE C=CCN(Cc1cc(Cl)cc(Cl)c1F)C(C)(C)C 1643857829 PLAKTFPVZUBCEV-UHFFFAOYSA-N 290.209 4.919 30 10 CJEE CCCCCCCCN(CCC#N)CC(C)(C)C 1652546784 NZIHMNACWJIPJR-UHFFFAOYSA-N 252.446 4.609 30 10 CJEE C=CCCN[C@H](CCC)c1cccc(C(F)(F)F)c1 1653138594 DVKOLVKBECAJLQ-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=CCC[C@@H](CCC)NCc1cc(Cl)ccc1C 1653205952 JVBZIDRYYMYBLW-MRXNPFEDSA-N 265.828 4.873 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(C(C)(C)CC)cc2)C1 1654348068 LXQHKFRKJVEJBY-INIZCTEOSA-N 271.448 4.772 30 10 CJEE C=CCC[C@@H]1CCCN1CCCc1ccc(Cl)cc1 1655794991 WBUGTFXVMFPYNQ-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc(-c2cc[nH]n2)c1 1658561371 STOKKZYVVLAUDB-OAHLLOKOSA-N 269.392 4.624 30 10 CJEE C#Cc1ccc(NC[C@@H]2CCCC[C@@H]2CC)c(Cl)c1 1659012725 PCEDESSTESMNAQ-GJZGRUSLSA-N 275.823 4.950 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1cccc(Cl)c1 1659641502 AVOMDCGAQVHWEN-DOTOQJQBSA-N 277.839 4.607 30 10 CJEE C=CCCCN(CC)Cc1cc2ccccc2cc1OC 1660155264 MHEYNEUAMKAYOU-UHFFFAOYSA-N 283.415 4.637 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(C)c(C)c1 1662643363 YBCZVEGQNPFIOK-HXUWFJFHSA-N 279.427 4.580 30 10 CJEE C=CCCCN[C@H](CC)Cc1ccc(Cl)cc1Cl 1664550627 BXESJFSFNLTLAT-CQSZACIVSA-N 286.246 4.870 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 1667748428 NUOAEPMHNVVKLY-WFASDCNBSA-N 292.810 4.596 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 1667748683 YMUAQKPRJBJJRX-HNNXBMFYSA-N 294.398 4.660 30 10 CJEE CCCCCCCCCN1CC[C@@H]2C(F)(F)[C@]2(C)C1 1883432068 LHTFTMOOOJZNLX-LSDHHAIUSA-N 273.411 4.714 30 10 CJEE CCCCCCCCCCN(C)C[C@](C)(CC)OC 1883862167 NGFCKEFQRYHSMB-KRWDZBQOSA-N 271.489 4.874 30 10 CJEE C=CC[C@H](C)O[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCC 1913338577 PRZVNBZFSIXHPJ-YLFCFFPRSA-N 281.484 4.551 30 10 CJEE CCCCCCCCCC[C@]1(O)C2C[C@@H]3C1[C@@H]3C2 1916940960 GMDUECFQHSRIGU-FXUHHZDVSA-N 250.426 4.534 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)Cc1ccccc1Cl 1919402947 WTCXBDNWXKUOPA-KRWDZBQOSA-N 296.838 4.563 30 10 CJEE CCCCCCC[C@](C)(N)Cc1nc2ccccc2s1 1919540060 VLPSRGDPUBQXHU-KRWDZBQOSA-N 290.476 4.917 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCCC(C)C)NC 1920801315 URGVUFIWAYQOOE-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE C=C([C@@H](NC)c1cc(Cl)ccc1C)C(C)(C)C 1947434422 FNSPQZYCFQAFBV-CQSZACIVSA-N 251.801 4.511 30 10 CJEE CCCCCCCCC[C@H](N)C1(SC)CCC1 1948940190 BUFFFHHWCYWBIO-AWEZNQCLSA-N 257.487 4.740 30 10 CJEE C=CCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 1948985471 DTLMCQGSABCSGM-AWEZNQCLSA-N 272.219 4.914 30 10 CJEE C=C1C[C@H]1CNc1c(Cl)cc(Cl)cc1Cl 1958208175 HXGWPLPLVDCKLA-ZETCQYMHSA-N 262.567 4.635 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc(C)c(C)c1 1966153365 CPVUCXIMIORQPP-KRWDZBQOSA-N 257.421 4.538 30 10 CJEE C=CCCCCC(=O)c1cccc(Br)c1C 1984520969 DCMYQQQTGQJEKZ-UHFFFAOYSA-N 281.193 4.687 30 10 CJEE CCCCC#CCNc1cc(Br)c(F)cc1C 2024344444 IJDWRMNFJZNFTG-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE C=CCCCCCC[C@H](NC)c1cc(Cl)ns1 2026017735 RTBCRYOCDRYIGH-NSHDSACASA-N 272.845 4.584 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CCSC1 2026315075 YNVAATYXQOYNKN-AWEZNQCLSA-N 254.439 4.615 30 10 CJEE CCCCCCCCC[C@H]1N[C@@](C)(CC)CCO1 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CCCCCCCO[C@@H]1CCCCC[C@H]1NCCC 103981701 FMGUWJQRVJSBCP-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(CC)c(Br)c1 107478259 FWIXUEZIOXBUFL-VXGBXAGGSA-N 279.221 4.774 30 10 CJEE C=CC[C@@H](CC)c1cc(Br)ccc1F 107587785 GQJJVUJLMMLRGL-SECBINFHSA-N 257.146 4.658 30 10 CJEE CCCC#CCCc1c(C)cc(OCC)c(C)c1C 107638829 NKAVRJUMXQSXJS-UHFFFAOYSA-N 258.405 4.747 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cc(C#N)ccc2C)cc1C 109945324 GSAJJBLCORIFRU-INIZCTEOSA-N 278.399 4.965 30 10 CJEE CCCCCCCCCCCC(=O)NCCCN=[N+]=[N-] 115861939 HPBBHFNEBKKPEU-UHFFFAOYSA-N 282.432 4.724 30 10 CJEE CCCCCCC[C@H](CNCCOC)c1cccc(C)c1 118837613 WKLPAAZVUZQLJL-LJQANCHMSA-N 291.479 4.675 30 10 CJEE CCCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1NCC 122996874 KUKUHARVZPSBFH-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(C#N)c1 127669848 JRVZVRYDXRMAIB-QGZVFWFLSA-N 259.393 4.732 30 10 CJEE CCCCCCCCCCC[C@H](N)c1c(Cl)cnn1C 129633568 QWPUKMJRSMYJGS-HNNXBMFYSA-N 299.890 4.994 30 10 CJEE CC1(C)CC(N[C@H](CC#N)c2ccccc2)CC(C)(C)C1 130878061 FWBNSLFKVGIRBI-QGZVFWFLSA-N 284.447 4.836 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCCNC1 131684653 CFNMCRAFQRNWMC-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE CCC1CCC(Nc2cccc(SC)c2C#N)CC1 136638922 KIKGXPYVWVOBRP-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCCC 156230669 CTBXTDLILRWKGM-HRCADAONSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCO[C@H]1C 160152684 NKDBVAAZNPRBAZ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](C)CC2)C1 216819240 NMOYCQUYBLLMNM-VSZNYVQBSA-N 290.495 4.853 30 10 CJEE Cc1ccc(Nc2cccc(C#N)c2)cc1C(F)(F)F 227614007 XGNQEJBVQLGOKA-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE N#Cc1ccc(Oc2ccc3cccnc3c2)c(Cl)c1 229033538 NIPXWRCDEOWXAF-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(=O)/C(C)=C/c1ccc(-c2ccc(F)cc2)s1 231745691 KSJCDZMVSOFICQ-MDZDMXLPSA-N 260.333 4.547 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](CCC)C1 232977117 MQSWAIFHAPLHQM-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCCCCC[C@H](NCC)C(CC)(CC)OCC 233533960 BTFWFDCCJGMOEH-INIZCTEOSA-N 269.473 4.696 30 10 CJEE Cc1ccc(Nc2cccc3ccccc23)c(C#N)c1 235990709 SUHFKFRPMGMDII-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CC)CC[C@H]1NCC 250827609 OQYYCGVQRQFJRX-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 250916965 JBMKLPPNBFKKIR-YESZJQIVSA-N 268.404 4.638 30 10 CJEE CC[C@H](C)c1ccccc1N=Cc1ccc2c(c1)OCO2 254845455 CYWABWHJPGYLKN-ZDUSSCGKSA-N 281.355 4.679 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1/C=C/C(C)=O 257430239 GWLGWWOKIBLQJF-RVVIKHDBSA-N 260.421 4.930 30 10 CJEE biogenic CSc1cc(CC(C)(C)C#N)c(SC)cc1C 260123560 HCQMWCROUMBSDA-UHFFFAOYSA-N 265.447 4.531 30 10 CJEE C=C([C@H](NCCC)c1sccc1Cl)C(F)(F)F 310360269 JVUAEWOVNZVENC-VIFPVBQESA-N 283.746 4.561 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCCC[C@@H]2C1 311600847 CLYPNTDTIIHNNL-IAGOWNOFSA-N 283.525 4.769 30 10 CJEE C=CCC(C)(C)CNCc1ccc(OCCC(C)C)cc1 314907053 KVIPXRFTTVTQLG-UHFFFAOYSA-N 289.463 4.803 30 10 CJEE CCCCCCCCCCN1[C@H](CN)CC[C@H](C)[C@@H]1C 316792824 GHTCDUYHNPVNLC-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE O=CC1(CCCOCc2ccccc2)CCCCCC1 317622181 VDUWLNDFEIKVNW-UHFFFAOYSA-N 274.404 4.523 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCOc3ccccc32)CC1 379991230 MLNJRVWWIMFCCU-SWKXRBFHSA-N 269.388 4.663 30 10 CJEE CCO[C@H]1C[C@@H](C2(C#N)CCC(C)(C)CC2)C1(C)C 381236668 QWOIFSVNCZHWBE-KGLIPLIRSA-N 263.425 4.548 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1CCCC1(F)F 381950655 SCQFUDZCJBBKFO-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCCNCc1cccnc1C 388234404 BLZFWRFJKGNAOA-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(CC)s1 388812741 RKZITCGSJZFAGF-OAHLLOKOSA-N 277.477 4.791 30 10 CJEE CCCCc1ccc(NC[C@H](C#N)C(C)(C)C)cc1 397597593 QXPSOSWUTVRWAE-HNNXBMFYSA-N 258.409 4.627 30 10 CJEE C=C(CC)CN[C@@H](C)c1c(Cl)cccc1Cl 400830047 WMTMRGKFZAUHNU-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C#CCCCCC[C@H](O)c1cccc(C(C)(C)C)c1 686684148 GDIDYUMTKCKOGL-KRWDZBQOSA-N 258.405 4.601 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cccc(C)c1C 686703329 ZXMWKBTVJGHMIZ-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)/N=C1/NC2(CCCCC2)CCS1 687324205 XWRMPITZRWOXIQ-GDBMZVCRSA-N 294.508 4.741 30 10 CJEE Clc1ccccc1N=C1NC2(CCCCC2)CCS1 687325835 SKFOOIZEYJWQNV-UHFFFAOYSA-N 294.851 4.757 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@]12COC[C@H]1C2 689168287 ZYTMWPIVPCTLRK-FGTMMUONSA-N 281.484 4.532 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1cc2cscc2s1 693959799 PRVYLSUGZITAMD-LBPRGKRZSA-N 288.372 4.779 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(F)cc1C(F)(F)F 695787522 OBJKGURGEUZNET-VIFPVBQESA-N 288.288 4.585 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccc(C(F)(F)F)cn1 695879329 FAENNMGBTWXUPQ-VIFPVBQESA-N 288.338 4.521 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1C1CC1 699154425 XRKJCDRREOOGCH-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 701920224 OJSVUCBYNXUACN-ISOUWHGUSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCCN1C 703934525 ODKBIQUEGIAUSW-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@H]1CCCS1 715661627 WZWIOHFOLMQIQI-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(Br)ccc1C 715726919 VYAPPUCWNWGERP-WFASDCNBSA-N 296.252 4.620 30 10 CJEE CCC(=CC(=O)C[C@@H](C)COCc1ccccc1)CC 719174801 XVVVWAAJMYTFEY-OAHLLOKOSA-N 274.404 4.545 30 10 CJEE SCC1(COC2CCCCCCC2)CCCC1 721133995 FMYUJDOVXZVGPH-UHFFFAOYSA-N 256.455 4.606 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)O[C@H](C)C1 724229432 HPDTZXUFCFXCLO-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](N)CSc2ccc(Cl)cc2)CC1 724550523 XIEGMGIZMHBAFX-OAHLLOKOSA-N 295.879 4.896 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(C)s2)CC1 724553985 QKNAWPXJUJLSKN-OAHLLOKOSA-N 263.450 4.844 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2[C@H]3CCCC[C@H]23)CC1 724595564 BBOXPZCGUNGHAS-BZSNNMDCSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2C[C@H]2c2ccccc2)CC1 724615036 CQFGROASPPRLAJ-OTWHNJEPSA-N 269.432 4.515 30 10 CJEE CSc1cc2ccsc2c(C(F)(F)F)c1CC#N 725316484 YPHUFAWBQYTDHT-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE Cc1ccc(N=Cc2cccn2-c2ccccc2)c(C)c1 1084624489 QZHXZWJDVOONIX-UHFFFAOYSA-N 274.367 4.845 30 10 CJEE C=CC1(CC(=O)N[C@H](CC)c2ccccc2)CCCCC1 1129790089 LVYRVZVITMZNSC-QGZVFWFLSA-N 285.431 4.781 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1coc2c(C)cccc12 1130905350 XZLYFGISJWRAFD-PBHICJAKSA-N 297.398 4.606 30 10 CJEE C=CCCC1(CNc2nc3ccccc3o2)CCCC1 1187013572 HZRBKNSYLVOQEX-UHFFFAOYSA-N 270.376 4.766 30 10 CJEE C=CCC1(CNCc2cc(C)c3ncccc3c2)CCCC1 1202388583 TYXRMZFCXHKRJW-UHFFFAOYSA-N 294.442 4.769 30 10 CJEE C=C(C)CN(CC)Cc1ccc(C2CCCC2)cc1 1205107399 GRVBMNAEHWAWIP-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=CCN(C/C=C/c1ccc(F)cc1F)c1ccccc1 1205442972 USWNJPSWQYTAEC-VOTSOKGWSA-N 285.337 4.671 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](C)c2cccc(F)c2)c1 1289567106 MOMAGWBAEMFXTL-CYBMUJFWSA-N 283.346 4.601 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)c1ccccc1 1357219010 HCGJUDILIFLFCF-WMZOPIPTSA-N 287.447 4.882 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 1458137827 YEWJLLFFLIZGMB-FUHWJXTLSA-N 283.415 4.557 30 10 CJEE C=CC[C@H](C)Sc1nccn1-c1cc(C)cc(C)c1 1458848041 ULDGYBXMRMJFDB-AWEZNQCLSA-N 272.417 4.546 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H](C)c1ccc(F)cc1 1459495429 ZSHCNXSCFHYOSJ-HNNXBMFYSA-N 275.411 4.955 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc2ccn(C(F)F)c2c1 1461403471 FDAQKWMKCUXBQL-UHFFFAOYSA-N 292.329 4.577 30 10 CJEE C=C(CC)C(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 1466614355 OAZFKNICRJSLFJ-SFHVURJKSA-N 285.431 4.830 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H](C)c1ccc(F)cc1 1473118578 MLWHUVKVLZIOJE-CQSZACIVSA-N 287.353 4.714 30 10 CJEE C=CCC1(NCCOc2cccc3ccccc23)CCCC1 1473647264 IZJZTUYZGYTKRN-UHFFFAOYSA-N 295.426 4.697 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(CCC)s1 1474256294 KNZHNBKMUXRFDW-UHFFFAOYSA-N 265.466 4.783 30 10 CJEE C#C[C@@H](NCC[C@H](C)CCC=C(C)C)c1ccc(F)cc1 1474544308 NOTUYAYZDOCCSJ-VQIMIIECSA-N 287.422 4.862 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)c2ccccc2C)CCCCC1 1521567481 RBFYXYVBAPWELK-QGZVFWFLSA-N 299.458 4.884 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)CC(C)(C)C)c1ccccc1 1527742067 POKUKFZBIZGLFG-WBVHZDCISA-N 287.447 4.677 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](CC)c1ccc(C)cc1 1537844641 METGWXDWEBHCMG-HNNXBMFYSA-N 260.377 4.592 30 10 CJEE C=C(C)C(C)(C)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1538663348 LAVLLFGOAGMVQS-OAHLLOKOSA-N 285.431 4.765 30 10 CJEE C=C(C)CCN[C@H](CC(C)C)c1ccc(Cl)cc1 1559694100 YUROBZIQAIDHFR-MRXNPFEDSA-N 265.828 4.983 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 1565183701 HXLCCMAFRGBSOB-CABCVRRESA-N 294.483 4.587 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C 1584832263 CMXYHOQZRICJCP-CQSZACIVSA-N 279.468 4.652 30 10 CJEE C=C[C@@H](CC)CC(=O)NC(C)(C)c1ccc(C(C)C)cc1 1586154259 SHVIDDFRGUFVTA-HNNXBMFYSA-N 287.447 4.764 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)CCCCC1 1586331771 PBVONFQFLBJOIX-ULQDDVLXSA-N 291.479 4.702 30 10 CJEE C=CCC(C)(C)CNCc1cccc(OC(C)(C)C)c1 1620950239 URBPSIHXWORMOU-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE C=CCCC[C@@H](NCc1cccc(C#N)c1)c1ccccc1 1644332643 MRARXWUFWRRNNK-HXUWFJFHSA-N 290.410 4.745 30 10 CJEE C=C(Cl)CN1CCCC[C@@H]1c1cccc(Cl)c1 1653453293 VGGJLZHNFJSOSY-CQSZACIVSA-N 270.203 4.620 30 10 CJEE C#CCCCCCCN1CC[C@H](Cc2ccccc2)[C@@H]1C 1653539468 HCCXIYJOKPOBFJ-AZUAARDMSA-N 283.459 4.523 30 10 CJEE C=CCCCCN1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 1654557336 UWYWLHCOUILKOU-SFHVURJKSA-N 293.401 4.718 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1 1665184471 PHZIEAZJRZWAFC-ZIAGYGMSSA-N 286.419 4.666 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)C[C@@H](C)C(C)(C)C)c1 1681066704 AUJDVIQNGSNLJE-CQSZACIVSA-N 288.435 4.866 30 10 CJEE Cc1cccc(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)c1C 1772798851 XXVUUVHZYYIEOW-UHFFFAOYSA-N 298.235 4.571 30 10 CJEE CCCCCCCCN1C(=O)[C@H]2CCCCCC[C@H]21 1883314417 SGWZTNZQYBINTC-JKSUJKDBSA-N 265.441 4.528 30 10 CJEE CC1(C)CCC[C@](C=O)(CCC[C@@H]2CC2(F)F)CC1 1885541066 JHROXEMLTCPGTB-UKRRQHHQSA-N 272.379 4.988 30 10 CJEE CCCCCCCCN(C)[C@](C)(CN)CCCCC 1887150181 OAKMKPPFYOBLLK-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCN(C[C@@H](C#N)C(C)(C)C)C1CCCCCC1 1888625678 ZFPZNVLKVBVWLP-OAHLLOKOSA-N 264.457 4.607 30 10 CJEE C=C(c1ccccc1)[C@H](CSC(C)(C)C)NCCC 1888705970 RAONJLOWXBLTDF-INIZCTEOSA-N 277.477 4.600 30 10 CJEE C=C(CC)CCc1cc(Cl)c(OC)c(Cl)c1 1901608237 JIJOECJJCLGIDK-UHFFFAOYSA-N 259.176 4.901 30 10 CJEE CC(C)C[C@@H](CS)CSC1CC2(CCC2)C1 1905526421 JWGIDTOCQJFRHF-LBPRGKRZSA-N 258.496 4.644 30 10 CJEE C=C(C)CCCN[C@H](C)c1cccc(OC(F)(F)F)c1 1914676972 GEKXBRNUJFPWKM-GFCCVEGCSA-N 287.325 4.592 30 10 CJEE CCCCCCCCC[C@@H]1CCN[C@@H](C(F)F)C1 1918497191 RIPJJIVUBMCIDO-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)o1 1918941456 QAIDHHQAQSGLBG-OAHLLOKOSA-N 286.799 4.676 30 10 CJEE CCCCCCC[C@@](C)(N)c1cc(C)cc(OC)c1C 1919512446 ZGAGFBIPNNYMLL-GOSISDBHSA-N 277.452 4.846 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H](C)n2ccnc21 1919691566 HNYGGMVAIMYVET-DOTOQJQBSA-N 278.440 4.566 30 10 CJEE CCCCCCCC[C@@](C)(O)Cc1ccccc1OC 1920028585 KRRHFEVWUODZNJ-GOSISDBHSA-N 278.436 4.739 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](O)(CC)c1cccs1 1920585340 PMAJAXXUAQMYTI-WBVHZDCISA-N 297.508 4.684 30 10 CJEE CC[C@@](O)(c1cccs1)C1(C#N)CCC(C(C)C)CC1 1921076013 XVGQNKJEVJEVSN-BDVYOWHSSA-N 291.460 4.702 30 10 CJEE CCC(CC)C[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 1926160665 AZPYUTHNVZFZME-ZFWWWQNUSA-N 296.455 4.740 30 10 CJEE C[C@H](N(Cc1ccccc1)c1ccccc1C#N)C(C)(C)C 1932000722 TYEWLLBENCDUKV-INIZCTEOSA-N 292.426 4.999 30 10 CJEE C=C([C@H](N)c1ccc(OCc2ccccc2)cc1)C(C)(C)C 1932496014 NTNSMMDCTWTSLE-IBGZPJMESA-N 295.426 4.868 30 10 CJEE C=C(C)CC[C@H](N)c1cc(Br)c(Cl)s1 1933734422 GVWWNMCEWPNIFC-QMMMGPOBSA-N 294.645 4.520 30 10 CJEE CC(C)SCC[C@@]1(C=O)CCCC(C)(C)CC1 1950914741 SNJZXCZMWJYGEK-OAHLLOKOSA-N 256.455 4.694 30 10 CJEE C=CC[C@H](C)N(Cc1ccccc1)CC1CCCC1 1953414656 FVMQWICROUSWEE-INIZCTEOSA-N 257.421 4.643 30 10 CJEE C[C@@H]1CCN(CC#CC2CCCCC2)c2ccccc21 1966157047 BAVNEVMLOJQFCO-MRXNPFEDSA-N 267.416 4.584 30 10 CJEE CC(C)c1c(C#N)oc2c(Cl)c(Br)ccc12 1975775882 XPCYJIDBLRIVRK-UHFFFAOYSA-N 298.567 4.844 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccsc1C 1996485279 QPJXXEOQGBHXCT-WFASDCNBSA-N 251.439 4.700 30 10 CJEE C=C(C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 2000296901 ZAGNQONKWDISNR-UHFFFAOYSA-N 262.761 4.827 30 10 CJEE CCCCCCCN(C)Cc1cccc(Cl)c1 2004805679 DYTHRRDFQIVLCD-UHFFFAOYSA-N 253.817 4.742 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(Cl)cc1C 2005333955 ZCTZQMXZMRJKDC-XHDPSFHLSA-N 251.801 4.511 30 10 CJEE N#C[C@@]1(Cc2cscc2Cl)CCCC12CCC2 2007819133 AXRCZELOMSBPBQ-AWEZNQCLSA-N 265.809 4.808 30 10 CJEE C=CCCCCC(=O)c1cscc1C(F)(F)F 2009490129 QPUXNWVWPZXBJZ-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE N#CC1(Cc2ccc(Cl)s2)CCC(F)(F)CC1 2012786083 YSCMGVMBXITPGB-UHFFFAOYSA-N 275.751 4.663 30 10 CJEE Cc1cc(OCC[C@@H](C)CCS)c(C)cc1Cl 2017905865 OEEVOXLTRQVKHK-SNVBAGLBSA-N 272.841 4.682 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCC[C@@H]1SC 2019186948 AZWXZXKZYOJSDQ-CABCVRRESA-N 257.487 4.563 30 10 CJEE C=CCCCCCCCC[C@](C)(O)C1(Cl)CC1 2026314121 ROFICZUBYUIOJM-AWEZNQCLSA-N 258.833 4.816 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2031799949 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CCC[C@@H]1CC[C@@H](C#N)[C@H](n2c(C)nc3ccccc32)C1 37147300 ZKVGNYQPFXIGRZ-RVKKMQEKSA-N 281.403 4.626 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2ccc(Cl)cc2)cc1 57685037 AMRCASDSCJCMCW-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1ccccc1OCCCC[C@@H](C#N)c1cccc(F)c1 57688443 IKKTZWWDUIJCFB-KRWDZBQOSA-N 297.373 4.991 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccc(C)cc1 59526388 KHLFHWXYXGZUHX-MRXNPFEDSA-N 276.420 4.943 30 10 CJEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCCC 66117813 IGVVCZAQESANDF-CYBMUJFWSA-N 260.377 4.530 30 10 CJEE C[C@H](CCS)CCOc1cc(Cl)ccc1Cl 87078029 GNPWWCVPAKLUEH-VIFPVBQESA-N 279.232 4.718 30 10 CJEE N#CCC1(CNc2cccc(Oc3ccccc3)c2)CC1 88249718 GHOXQZNVGDCNIY-UHFFFAOYSA-N 278.355 4.585 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876023 WZPFOVOJXCFILJ-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE CC(C)c1ccccc1OC[C@@H](CS)c1ccccc1 94583170 XVZILNBDIYHLMC-INIZCTEOSA-N 286.440 4.902 30 10 CJEE C=C(C)C[C@H](NCCC)[C@H]1CCCc2sccc21 97283198 LNUPCKPZUZVQNG-ZFWWWQNUSA-N 263.450 4.502 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cccc(Cl)c2Cl)o1 101596793 KTMPGMGAQPANCB-FPLPWBNLSA-N 296.153 4.703 30 10 CJEE CCCCCCCN1C[C@H](CC)Nc2cc(OC)ccc21 106599411 YFCUMVSYYLDTER-HNNXBMFYSA-N 290.451 4.676 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(Br)s1 107596922 NXHBLYKPZWZUGO-ZJUUUORDSA-N 271.223 4.664 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccc(C)c(C)c1 110083908 MLTMAOZNNJKVDY-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCCCCCCNc1ccc(C#N)c(C(F)(F)F)c1 115910759 PRKWQRYOCUQEJH-UHFFFAOYSA-N 284.325 4.959 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCOc2ccccc21 116260213 KZIIHMBSYCBDQK-RDJZCZTQSA-N 276.420 4.664 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCC)C12CCCC2 117341564 AXCVTAMVDVOUCJ-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(C)o1 122673953 DCOUCRBTDMGRDB-HNNXBMFYSA-N 266.429 4.623 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(F)cc2C#N)cc1 126277219 RBPXUQIRPWJVOJ-UHFFFAOYSA-N 282.362 4.607 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCO[C@@H]1C1CC1 131391934 SWWISZBQERUUBA-MOPGFXCFSA-N 295.511 4.922 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CO[C@@H](C)C1 157980599 FXIVDSFGPADLNV-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@H]1CCC[C@@H](C(=O)O)N1 160213101 XIEMVRIKPPCWGQ-IRXDYDNUSA-N 297.483 4.893 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CC 190902898 POWVGBWUIZCZFK-CQSZACIVSA-N 273.420 4.913 30 10 CJEE CCCN(CCC)[C@H](C#N)c1ccc(Cl)c(Cl)c1 212986688 MYWKTNBHHZIRMR-CQSZACIVSA-N 285.218 4.680 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(Cl)c1C 220540524 JAJOEKARFVKMBA-OAHLLOKOSA-N 251.801 4.785 30 10 CJEE CC[C@H]1CC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227069330 FIIXDDQOBQFOHH-YLQAJVPDSA-N 291.460 4.799 30 10 CJEE C=CCC[C@H](C)Nc1ccc(C)c(C(F)(F)F)c1 228825314 RSXYBQZVSIPNBE-NSHDSACASA-N 257.299 4.780 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cncs1 229131315 XELUGDCXEIMCKJ-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CCCCCCCC[C@@H](Cc1cncs1)NCCC 229218664 IZALULPGFMLQMR-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE CCCCCCC[C@H](CCC(C)(C)OC)NCCC 231017893 INBLCWIPTSRJSZ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC(=O)c1sc(C)nc1C 232925344 LMTKHXXFQNUCGE-UHFFFAOYSA-N 253.411 4.693 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(SCC)cc1 233160401 LQJUEWXPQCEVBO-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE CC[C@](C#N)(CCCS[C@H]1CCC[C@@H](C)C1)NC1CC1 234168905 PMIPRMQADFFYOE-HYVNUMGLSA-N 294.508 4.503 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)cc1Cl 235912367 HSZDFTWMJQWYOW-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE N#CC1(c2cccc(Cl)c2Br)CCCCC1 260415625 GHHZASLCDHOXMO-UHFFFAOYSA-N 298.611 4.828 30 10 CJEE CC(C)c1c(C#N)ccc2ccc(Br)cc12 260517838 IIKCDXRWAJHTLN-UHFFFAOYSA-N 274.161 4.597 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1F 308058182 SQOISYRMMFWLNZ-DGCLKSJQSA-N 295.785 4.728 30 10 CJEE C=CCCCCCCNCC[C@H](C)c1ccccc1 312124890 YRCFZTJTUQWCBP-KRWDZBQOSA-N 259.437 4.906 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2CCCCC2(F)F)C1 316946964 HOIVPOFEVCRCPU-MCIONIFRSA-N 258.352 4.597 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccc(Cl)c(Cl)c1 317357587 ZLUBFTJADBDALD-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCCCSC)C1 320294585 DBQFXDCJRDGPBZ-RDBSUJKOSA-N 271.495 4.581 30 10 CJEE C=CCC(C)(C)CO[C@@H](C)C(=O)c1ccc(Cl)s1 378686571 WGZDLIIGNJMSNL-JTQLQIEISA-N 286.824 4.592 30 10 CJEE C=CCC(C)(C)CO[C@@H](C)C(=O)c1ccc(Cl)cc1 378753951 RGVHKZBQWSIQHB-LBPRGKRZSA-N 280.795 4.530 30 10 CJEE CCC[C@H](C)Oc1c(C(C)=NO)ccc2ccccc12 379727110 LBSUSRVVCVTRNQ-LBPRGKRZSA-N 271.360 4.605 30 10 CJEE CCCCCCCC[C@@H](NN)C(C)(C)C(C)(C)C 380961510 SVXYSXHZWGSMLY-CQSZACIVSA-N 256.478 4.641 30 10 CJEE CCCCCCCC[C@H](CN1CCCCCC1)NCC 381270433 CJYMPKVXHGPDHW-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCOc1cccc2c1[C@H](N)CC2 383368272 HRBNCOVWRILPMC-MRXNPFEDSA-N 275.436 4.762 30 10 CJEE CC[C@H]1[C@@H](C)CCN1CCCCCCCCCS 384304557 AAILJRRKVJWWEI-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](CC(C)(C)C)CS1 393503217 UGXCMMRLQUEPOE-UONOGXRCSA-N 284.513 4.843 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](O)C1(C#N)CCCCCCC1 394317594 GOCDYGKWBFWVPP-RDJZCZTQSA-N 277.452 4.818 30 10 CJEE Cc1ccccc1CSC[C@@H](C#N)C1CCCCC1 397316846 POMFYHZTKWVHST-QGZVFWFLSA-N 273.445 4.948 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CO[C@@H](C)[C@@H]1C 405711961 BSPUQPFZKJSPAX-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)CC(C)C 462393259 XBEGXIUHLAHHTP-GFCCVEGCSA-N 299.867 4.598 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1oc2ccccc2c1C 464439530 XZXXCJXHOOJOIK-OCCSQVGLSA-N 285.387 4.521 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@@H](C)c1ccc(C)o1 680996822 UFFKXZCATDBQMS-ZBFHGGJFSA-N 291.435 4.880 30 10 CJEE CCCC1([C@@H](O)C2(C#N)CCC(C(C)C)CC2)CCC1 686137560 PYJJCTSNBAOJGA-UPTPFMHGSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@@H](C)O[C@H]1C 686464353 NRLJNLLKQQIDPU-TWMKSMIVSA-N 269.473 4.529 30 10 CJEE C[C@@H](CC1CCCC1)Nc1cc(Cl)ccc1C#N 689865095 NQMBGAMVRMWRSV-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CC2CCC1CC2 691646374 WMZNXRCWIAUQIM-BHUNQDJPSA-N 251.458 4.891 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] 692249950 BCGBAMQVVZIAAS-AAEUAGOBSA-N 294.782 4.795 30 10 CJEE CN(Cc1cc2cscc2s1)C[C@@H](C#N)C(C)(C)C 693881853 VEFLGSUHPCFRHC-GFCCVEGCSA-N 292.473 4.580 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2cc3cscc3s2)C1 693992308 GWKWYCYDTZSRFY-ONERCXAPSA-N 291.441 4.716 30 10 CJEE CN(CC1(CS)CCCC1)[C@@H]1CCC12CCCCC2 694228991 OVNWCLNPPMURGJ-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@@H]3C(C)C)C[C@@H](C1)C2 697334239 SZEQCVZOFCBDFE-VEHMJYNQSA-N 275.480 4.926 30 10 CJEE CCCCCCCCCC[C@H](NC)C1CC(OC)C1 703453117 SHKRMFBGQHDPPP-JCYILVPMSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC(=O)Cc1ncccc1Cl 704297143 NXCVHKBZVKLZAC-UHFFFAOYSA-N 267.800 4.597 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1c(Cl)cccc1Cl 710635713 NCHGZTJGOSPYGX-LLVKDONJSA-N 278.610 4.787 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2ccc(C)c(Cl)c2)C1 710742574 VFRLZQLXGGYWGN-KBRIMQKVSA-N 293.838 4.556 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C 715720506 NODSBGBABLCPSV-IVSAIRAKSA-N 251.458 4.639 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(Br)cc2)CC1 724612740 LQVCPIHNCOVXFJ-OAHLLOKOSA-N 295.220 4.619 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cccc(N(C)C(C)=O)c1 793547054 ZZAADYKPDDXJJX-OAHLLOKOSA-N 288.435 4.606 30 10 CJEE Clc1ccccc1CO/N=C(/c1cccs1)C1CC1 821233215 UGKQVNQQRRWHMD-BMRADRMJSA-N 291.803 4.732 30 10 CJEE CCOc1cc(C=Nc2cccc(Cl)c2C)ccc1O 1083920935 NCLQQVPWHPLNJE-UHFFFAOYSA-N 289.762 4.503 30 10 CJEE C=CCCc1ccccc1NC(=O)C1CCC(C)(C)CC1 1128305331 MDHDFJYMWPUJPC-UHFFFAOYSA-N 285.431 4.960 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CCCCC 1131516108 JCJYDKUTGFSYQX-HNNXBMFYSA-N 265.441 4.550 30 10 CJEE C=CCCCN[C@@H]1CCCC[C@H]1c1ccccc1Cl 1205639903 PDOWHPSCBSANIT-DOTOQJQBSA-N 277.839 4.922 30 10 CJEE C=CCCCCCCCN1CCC[C@@H]1c1ccccn1 1209439062 HMJJODNUQIEFEP-GOSISDBHSA-N 272.436 4.745 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC(F)(F)C1 1258042679 URONESYQYUXPCY-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCC[C@@H](CC)N[C@@H](C)c1cccc(C#N)c1 1258427920 JUHNCHUUBBCHLF-WMLDXEAASA-N 258.409 4.568 30 10 CJEE C#CCCCCCC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1264869640 UJSJCNDRMOYNSK-DLBZAZTESA-N 291.479 4.539 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1cc(F)ccc1C 1266905401 OBJYNQSXMHXQCM-ZDUSSCGKSA-N 276.351 4.507 30 10 CJEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCCCCC1 1307486437 GSGTZMYJBYQRLA-VQTJNVASSA-N 296.458 4.729 30 10 CJEE C#Cc1ccc(CN(C)[C@H](C)c2cc3ccccc3o2)cc1 1308661330 VYZHYTUCGRUCMV-OAHLLOKOSA-N 289.378 4.607 30 10 CJEE C=CC[C@@H]1N(C[C@H]2C[C@@H]2c2ccccc2)CCCC1(C)C 1308724712 QABCJQFRSYFPKW-QRVBRYPASA-N 283.459 4.857 30 10 CJEE C=CCCCC(=O)OCc1c(OCC)ccc2ccccc12 1349848643 RMZNPNVLYUPGJL-UHFFFAOYSA-N 298.382 4.638 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(OCCCC)cc1C 1351273393 URWYYINEENBECF-UHFFFAOYSA-N 289.419 4.715 30 10 CJEE C=CCCC[C@H](C(=O)N(CCC)CCC)c1ccccc1 1354948835 ZXAGIOSECWCOTO-SFHVURJKSA-N 287.447 4.775 30 10 CJEE C=C1CCC(C(=O)Nc2c(Cl)ccc(C)c2C)CC1 1459858307 QARSBSYSIJYFGD-UHFFFAOYSA-N 277.795 4.642 30 10 CJEE C=C(C)CCN[C@@H](Cc1ccccc1)c1sccc1C 1459922053 CVKFBHXQOMAUIM-KRWDZBQOSA-N 285.456 4.896 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1464307900 YXLBKUKTEKUDGD-HNNXBMFYSA-N 291.822 4.606 30 10 CJEE C=C(C)CCN(Cc1cccc(Cl)c1)CC(C)C 1473671678 ZLIAYPYISKXZOA-UHFFFAOYSA-N 265.828 4.764 30 10 CJEE C=CC(C)(C)CC(=O)OCc1ccc(-c2ccccc2)cc1 1529614242 VZOLUCYTTXMIBV-UHFFFAOYSA-N 294.394 4.999 30 10 CJEE C#Cc1cccc(N(C(=O)CCCCCCC)C(C)C)c1 1529909548 SQNIOGLVGWAZEO-UHFFFAOYSA-N 285.431 4.770 30 10 CJEE C=CCC1(C(=O)OCCc2ccc(C)cc2)CCCCC1 1538772340 MKBXJJLHRVVWKU-UHFFFAOYSA-N 286.415 4.607 30 10 CJEE C=CCCCN(CC)C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1539022207 BYZSQYAOONCSCL-CVEARBPZSA-N 279.468 4.654 30 10 CJEE C=CCC1(C(=O)N(C)c2ccccc2SC)CCCC1 1539485497 RIYBVSWYNADXLB-UHFFFAOYSA-N 289.444 4.508 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 1543285588 YPTHKAMFKNRSCV-XJKSGUPXSA-N 291.822 4.606 30 10 CJEE C=CCCCCCOc1cc(Cl)c([N+](=O)[O-])cc1F 1559461938 YLRZAZDXEJNRET-UHFFFAOYSA-N 287.718 4.513 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 1585977428 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4.818 30 10 CJEE CCCCCCCC[C@H](C)NCC1([C@H]2CCCO2)CC1 2240666695 PAUVVLWNIKYBIM-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccc(F)c(C)c1 2240793587 WQUVGYDXGJEHBC-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE C[C@@H]1CC[C@@H](OCCCCCCCS)[C@H](C)C1 2252608239 BEPSXIJETCUJQS-RBSFLKMASA-N 258.471 4.708 30 10 CJEE CC[C@](C=O)(CC[C@@H]1CCCCC12CC2)C(C)C 2253843188 HTRWESLLGVRDEF-JKSUJKDBSA-N 250.426 4.988 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(Cl)c1OC 2256117555 MMJJPFNSVUTKEN-CYBMUJFWSA-N 288.218 4.532 30 10 CJEE C=C(C)CCCC[C@H]1CC(C)(C)C[C@@H]1NCCC 2259240016 VOTCKHCBFZIIPR-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1cc(Cl)cs1 2261532545 SXHRNXJMCLGGJH-OCCSQVGLSA-N 289.872 4.513 30 10 CJEE CCCCCCC[C@@H](CC(CC)CC)OCCN 2262556676 DPDSKBRLEVTTKZ-INIZCTEOSA-N 257.462 4.517 30 10 CJEE Cc1cc(NCC2(C#N)CCCC2)c(Cl)cc1Cl 2263200718 ZTOKFSPJPYRBEW-UHFFFAOYSA-N 283.202 4.798 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCCC12CC2)NN 2264895807 BKMNKYGGHWEFGD-JKSUJKDBSA-N 266.473 4.539 30 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CCCCCCCC[C@H](O)[C@@H](NC)c1csc(C)c1C 2279145590 ZXMBANNNMMZKHD-IRXDYDNUSA-N 297.508 4.737 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CCCCC12CC2)NN 2279564873 XDMWFWUEOQOKCK-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C=CCOc1ccccc1C(=O)CCCC[C@H]1C[C@H]1C 2280439016 JMUGVHGVKVYGBV-CABCVRRESA-N 272.388 4.651 30 10 CJEE C=CCOc1ccc([C@H](O)CCCC[C@@H]2C[C@H]2C)cc1 2280450701 DWDDRKXOVALRQS-QGPMSJSTSA-N 274.404 4.501 30 10 CJEE C=C([C@@H](NCCC)c1ccc(CCC)cc1)C(F)(F)F 2283478867 BJHYUGNJWNOHES-OAHLLOKOSA-N 285.353 4.798 30 10 CJEE C[C@@H]1CC[C@H](CSc2cc(C#N)c3ccccc3n2)C1 2284047227 DPFLUZYBKRAXFW-OLZOCXBDSA-N 282.412 4.635 30 10 CJEE CN[C@H](CCC=CC#CC(C)(C)C)c1cccc(C)c1 2284073664 SMFFPEFSUZCLMX-GOSISDBHSA-N 269.432 4.641 30 10 CJEE CC[C@](CC=CC#CC(C)(C)C)(CNC1CC1)C(C)C 2284075917 LGMZDQGYKMSSES-IBGZPJMESA-N 275.480 4.787 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)C[C@]1(C)COC 2284728899 WYDSTXUZGCIDFF-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE Cc1cccc(C#N)c1Nc1cc(C2CC2)ccc1F 2287319192 HAGZQCGRZFVLEW-UHFFFAOYSA-N 266.319 4.627 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)C(C)(C)C(C)C 2287383242 DUJAXFGXMOGNJL-SJORKVTESA-N 283.500 4.534 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(OCCC)c1 2287409416 UITWCLXVGVOORD-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)[C@H](CC)CCC 2287659625 FNBVRKXMTGLTSR-AEFFLSMTSA-N 291.866 4.886 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(C)cc(Cl)c1 2289699156 YZRKTFLIBOCABP-GOSISDBHSA-N 289.850 4.883 30 10 CJEE O=C(CC#CC1CCCC1)C1(C(F)(F)F)CCCCC1 2289882350 OXTMGRNNLZWFIL-UHFFFAOYSA-N 286.337 4.652 30 10 CJEE CC(C)(C)CC1CC(CN=C2NC[C@@H](C(C)(C)C)S2)C1 2290030426 GHOFOEDPUMSMBZ-RUXDESIVSA-N 296.524 4.556 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)C=CCC[C@@H]1C 2291559855 VCCXAJIZNSNUEM-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](CCC=C(C)C)OCC(=O)O 2292176055 RXFRIAIFNAFADT-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1cnsc1C 2292995514 ZDWLOUGTQJGYLH-INIZCTEOSA-N 298.496 4.609 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@H]1CC1(F)F 2293504798 NTFHPRFRIYELED-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@@](C)(CC1CC=CC1)OCCCN 2293730936 JHOPNMDVBZVOEC-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](C=C1CCCCC1)OCCN 2293926404 CVIURGFPEGDWMP-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@H](CC[C@@H](C)C(F)(F)F)OCCN 2293936560 RETCCXZUCKEAPV-KGLIPLIRSA-N 297.405 4.669 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1csnc1C 2294068981 NKPQXFXISAVLJF-INIZCTEOSA-N 298.496 4.609 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](CN)C1(C)C 2295531629 NBGCLRJDWJBKMH-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](N)C(C)(C)C1 2295538500 KVPCHZMYYLYJJY-IRXDYDNUSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)CCCCCCN 2295538783 NUIIRLVTBCSUHU-GOSISDBHSA-N 284.532 4.967 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2301935172 KMADJFVBGQTXAL-SNVBAGLBSA-N 274.813 4.580 30 10 CJEE CCC[C@@H](CS)COCC1CCCCCCC1 2303285492 PQLQVQLJLBETQY-OAHLLOKOSA-N 258.471 4.710 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(C)c1 2304058322 ZWITZIXZPPKVAW-HNNXBMFYSA-N 250.769 4.824 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1CF)NC 2310951048 XLMSPKPCQZIIAU-XHSDSOJGSA-N 257.437 4.711 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CC[C@H]1C(F)(F)F 2312212765 BAQMBENEIDTOOW-YNEHKIRRSA-N 265.363 4.653 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc2sccc2c1 2316733446 GTBBGOPJXVOBON-UHFFFAOYSA-N 256.370 4.852 30 10 CJEE C=CC1(C[C@@H](O)c2ccc(F)c(C)c2Cl)CCC1 2316776703 FTYZYYSKOWCLIY-CYBMUJFWSA-N 268.759 4.567 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2321237049 JRQRBSNCIQIFTF-LSDHHAIUSA-N 287.230 4.889 30 10 CJEE C#CCCC[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2327878367 YXVHWCZJTDWTMK-CQSZACIVSA-N 284.230 4.756 30 10 CJEE CCCCCCCC[C@@H](O)C[C@](C)(F)C(C)(C)F 2327949436 LJXGWISBPRLXQF-HIFRSBDPSA-N 264.400 4.964 30 10 CJEE CSc1cc(SC[C@H]2CC23CCC3)ccc1C#N 2328529639 JXCYIBSSWQUTTF-GFCCVEGCSA-N 275.442 4.562 30 10 CJEE SCC1(CO[C@@H]2CC[C@H]3CC[C@@H]2C3)CCCCCC1 2328854715 AWXUQKGGNHMOCQ-BZUAXINKSA-N 282.493 4.852 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2333470816 UYKSNLSWUDPCAS-RQJABVFESA-N 276.342 4.751 30 10 CJEE C[C@]12CC[C@](C)(C1)N(CCCCCCCCCS)C2 2334668448 DFYBYZZLBCNSDM-DLBZAZTESA-N 283.525 4.911 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCCC 2335098204 HKJOAHHGHDFJNR-VVLHAWIVSA-N 283.525 4.877 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](NC)c1ccccc1 2335101516 VQCAHFKKDJJRTD-WMLDXEAASA-N 275.461 4.590 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1cc(C)c(C)cc1C 2335114024 MQKZBVIRRDUDLN-MRXNPFEDSA-N 257.421 4.783 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(C)cc1C 2335207853 WJRLDEIEBQFOSB-RDJZCZTQSA-N 277.477 4.652 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(F)cc1C 2337101716 MDJIKUOGNXBQBK-CKEIUWERSA-N 261.384 4.530 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC(C)C)CCC[C@@H]1C 2338727251 JIKNBSKBPZJQIV-FUHWJXTLSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(C(C)(F)F)cc1 2338740840 IWSOPAKAIRRQRI-OAHLLOKOSA-N 266.331 4.600 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2339074275 SXWGYEZUXBPLLV-ZQDZILKHSA-N 267.363 4.922 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339076339 LOSACIPWPLZYKV-XSLAGTTESA-N 263.469 4.783 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccccc1C1CCC1 2341884246 MEJJZFFKTWRCKA-MSOLQXFVSA-N 255.405 4.571 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)C[C@@H]1CC[C@@H]1C(C)(C)C 2343296157 WWPKXNHYCQZVIN-KKUMJFAQSA-N 285.541 4.583 30 10 CJEE CC(C)c1cccc(CC2=CC(=O)CC(C)(C)C2)c1 2343769928 MZDNQSAQSIKDPK-UHFFFAOYSA-N 256.389 4.668 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1cccc(C2CCC2)c1 2343801998 SGFLWDNGMNPZIV-KBXCAEBGSA-N 256.389 4.502 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(C)(C)C)cc1 2344337260 PCTSKHSJNPCWDB-AEFFLSMTSA-N 259.437 4.976 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC(F)(F)C1)NCC 2344374648 JNIBJKCIZOGICH-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC1CC(F)C1)NCCC 2344379008 HVFKJTQYJWJSEE-GQGLESIBSA-N 269.448 4.875 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]12C[C@H](N)[C@@H]1C2 2354530434 KCDYUALZNAEMOT-BQFCYCMXSA-N 279.468 4.604 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@H]1C)NCC 2358948443 VSCINFCNFPOHJM-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@@H]2C[C@H]1CO2 2359102356 YNTGOYKRNMYKAC-BBWFWOEESA-N 280.452 4.901 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(CC)cc1 2360324472 PWMVSNKJMMNCCF-YJBOKZPZSA-N 291.504 4.988 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1cccc2ccccc12 19997512 MHILJHUVJMLRSW-AWEZNQCLSA-N 272.351 4.885 30 10 CJEE C[C@H](Nc1cccc(F)c1C#N)c1cccc(Cl)c1 26227119 OZYKNPPPZFFAHE-JTQLQIEISA-N 274.726 4.524 30 10 CJEE C[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccc(C#N)cc1 35256446 RPPWBIKCNBLRNV-RWBZWWBESA-N 284.447 4.814 30 10 CJEE Cc1ccc(CNc2ccc(C(C)(C)C#N)cc2)cc1C 37272593 QJIOOFQKIMJUMQ-UHFFFAOYSA-N 278.399 4.717 30 10 CJEE CCn1cc(/C=N/c2ccc(C(C)=O)cc2)c2ccccc21 40570704 TYXDUTHUZHGQCG-UDWIEESQSA-N 290.366 4.614 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(C)c2)C1 40696152 WRKDLELFDUSIBK-OFQRWUPVSA-N 259.418 4.806 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(F)cc1Cl 50429952 QLAUXPSXKSKUST-LLVKDONJSA-N 288.753 4.832 30 10 CJEE Cc1cc(C)cc(OCCC[C@H](C#N)c2ccccc2F)c1 57686488 AVBMOJOAJWRQHH-MRXNPFEDSA-N 297.373 4.909 30 10 CJEE CCCCCCCOCC(=O)c1cc(C)c(C)cc1C 59526184 BGKVSQLEXGWAGS-UHFFFAOYSA-N 276.420 4.782 30 10 CJEE CC(C)(C)[C@@H]1CCCN(c2cccc(Cl)c2C#N)CC1 79343778 DQXZJPLXLFMRCP-CYBMUJFWSA-N 290.838 4.864 30 10 CJEE CCN[C@@H](C)c1ccc(SCCCC(C)(C)C#N)cc1 87607219 GFXWXCKRBHRDCL-AWEZNQCLSA-N 290.476 4.779 30 10 CJEE N#CC1([C@@H](O)c2c(Cl)cccc2Cl)CCCCCC1 91880814 LRQHNHYYGNLBID-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE CC(C)(C)[C@@H]1CCCN(CC2(CS)CCCC2)CC1 94581616 RPACNYZJAQOICV-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE Cc1cc(C)cc(CS[C@@H]2C[C@@H](C)CC[C@@H]2C#N)c1 94718410 FGXQUORRZGSEDV-JCURWCKSSA-N 273.445 4.865 30 10 CJEE CCCCCCC(=O)[C@H](C#N)c1c(F)cccc1Cl 97469434 CBFRJBFAIMYBBR-NSHDSACASA-N 281.758 4.626 30 10 CJEE CCSc1ccccc1C(=O)/C=C\c1ccc(C#N)cc1 98056600 PKULLAJFQRYENU-QXMHVHEDSA-N 293.391 4.566 30 10 CJEE CCCCCCCN[C@@H](C)c1cccc(Cl)c1 102264948 PVZHCKLLJIHGCZ-ZDUSSCGKSA-N 253.817 4.961 30 10 CJEE CCCCCCCc1n[nH]c(N)c1-c1cccc(Cl)c1 106502292 FEDJAMINLSTGSP-UHFFFAOYSA-N 291.826 4.825 30 10 CJEE C#CC[C@@H](CC)c1ccc(OCC)c(C(C)(C)C)c1 107591463 ZAQMDRJKXSXSTE-CQSZACIVSA-N 258.405 4.900 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)COCC 110167617 QSEVUMMXKNYXPZ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE Cc1ccc2c(c1)CCCN2c1ccc(Cl)cc1C#N 110253484 QCTVFIRTDYHLAW-UHFFFAOYSA-N 282.774 4.604 30 10 CJEE CCCCCCCCOc1ccc(N)cc1C(F)F 111292542 PEUAJKUJRFZPBQ-UHFFFAOYSA-N 271.351 4.946 30 10 CJEE CCCCCCCCOC(=O)CC[C@@H](CCN)C(C)(C)C 112753832 RLRQQDOHEQUAQA-INIZCTEOSA-N 299.499 4.681 30 10 CJEE CCCCCCCCCCn1ccc(CNC(C)C)n1 112934605 XDGKPZDNHLBUTI-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCCCCCCCCc1nc2c(N)cccc2o1 122521712 RTTHRGAYXNNUNA-UHFFFAOYSA-N 260.381 4.703 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1OCC[C@H]1C 122733970 PWVUDASRZHLSLA-FGTMMUONSA-N 298.515 4.554 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 124644904 ROLZSFKGXLWIKN-MANSERQUSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(C)c(F)c1 124696709 JLWISMHEDDIZDU-MRXNPFEDSA-N 251.389 4.669 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H](CC)OC 124756686 FCEZRFWARGLMQV-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCn1c(Cl)nnc1C1CC1 124900215 WTGAUKYXRXPDSE-UHFFFAOYSA-N 283.847 4.950 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](CCC)OC 126839383 JNLJKJDVZXOLQN-DLBZAZTESA-N 271.489 4.920 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1cc(F)cc(Cl)c1 161089486 FBECHWNKZWBDDU-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE N#C[C@@H](C(=O)CC1CCCCC1)c1cccc(Cl)c1F 213688513 CTYNKYRSPZPOGL-CYBMUJFWSA-N 293.769 4.626 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CC[C@@H](O)C1 227692587 AAAOFVAQJXCYSR-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE C[C@@H]1C[C@@H](C)[C@@H](C)N(CC2(CS)CCCCCC2)C1 229547272 MIQWKSVOOATUEU-BZUAXINKSA-N 283.525 4.623 30 10 CJEE C=CCCCCC[C@H](CSC(C)C)NCCC 233163501 CRUSFYWTXSHBCB-OAHLLOKOSA-N 257.487 4.633 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(F)c2ccccc12 233615422 KJEMMWFANRMNOQ-GOSISDBHSA-N 271.379 4.986 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 236152969 IQSIUKUAHMJAKL-OLZOCXBDSA-N 274.326 4.815 30 10 CJEE C=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 250576638 ABJQNFUPGHQIMO-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CCCC1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 251289912 FZNXRAIBDPTBOX-RCCFBDPRSA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H](OCC)C1(C)C 300634508 KTKZKCPQWVIUEU-XHSDSOJGSA-N 269.473 4.529 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](C)CSC 302303141 AJPGTEVRCCYKJN-HUUCEWRRSA-N 259.503 4.714 30 10 CJEE CC(C)(C)CCCNc1ccc(Br)cc1C#N 305906663 FUNKNQXDSYSTKG-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CC(C)(C)C(C)(C)Nc1cccc(Br)c1C#N 310466172 ZLNLOLYFZYZMJA-UHFFFAOYSA-N 295.224 4.557 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(SC)cc1 311146943 HOVTWMVAQXXWRA-ZDUSSCGKSA-N 263.450 4.661 30 10 CJEE CCCCCCCCCC[C@H](O)c1ncc(Cl)n1C 311331152 HKBJDGZBDCSNRU-ZDUSSCGKSA-N 286.847 4.638 30 10 CJEE CCCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(C(C)C)cc1 312279595 PAXKZMHFVFZFKS-RHSMWYFYSA-N 271.404 4.813 30 10 CJEE C=C[C@@H](C)C1(CNCC)CCC(C(C)(C)C)CC1 317202678 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CC(C)[C@@H]1CC=C(C(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)CC1 2126948626 GYQFJTAKRVIACI-MXASKKJJSA-N 260.421 4.764 30 10 CJEE O=CC1(CC2C[C@H]3CCC[C@@H]3C2)CCC(F)(F)CC1 2128477612 VRUPRTDNBBNONF-ZIAGYGMSSA-N 270.363 4.597 30 10 CJEE N#CC1(Cc2csc(C(F)(F)F)n2)CCCCCC1 2132197279 KRAPECKMIKRPFF-UHFFFAOYSA-N 288.338 4.569 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2CCCC[C@@H]2CC)c1 2132309826 GGSAYIIMOLVAQM-GOEBONIOSA-N 256.393 4.501 30 10 CJEE C=CC1(CNC2CCC(CSC)CC2)CCCCC1 2132973214 FQSSJGSHFGIUBT-UHFFFAOYSA-N 281.509 4.634 30 10 CJEE C=CC1(CN[C@@H]2CCCC[C@@H]2C2CC2)CCCCC1 2132976412 BDMLSOZYNZBPRM-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=CC1(CN[C@@H](C)CCCC(F)(F)F)CCCCC1 2132978144 XIYUWXAAGRXXEP-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE Cc1cc(C)c(C)c(C[C@@]2(C#N)CCS[C@@H](C)C2)c1 2138348690 GCIUKXIMZQTLLK-WMLDXEAASA-N 273.445 4.580 30 10 CJEE CCCCC#CC[C@](O)(CC)C1CCC(C)(C)CC1 2138952340 JBZZQZNXXCCKDJ-GOSISDBHSA-N 264.453 4.928 30 10 CJEE CCCCCC#CCN[C@@H]1CCCC12CCCCC2 2138957557 XLMAYOJBWQBNMH-QGZVFWFLSA-N 261.453 4.663 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C 2138958738 KIELVZXSFKYQIM-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCC#CCC[C@@H](NCCC)c1ccccc1 2139009012 QMZORHRFQOMGQM-GOSISDBHSA-N 257.421 4.701 30 10 CJEE CCCCCC#CCN(C)[C@H]1C[C@H](C)CC(C)(C)C1 2139021650 NQELKTNVOPYFDY-IRXDYDNUSA-N 263.469 4.717 30 10 CJEE CCCCCC#CC[C@H]1C[C@H](C(C)(C)C)CCC1=O 2139051550 GJIBROUKTCKEOQ-JKSUJKDBSA-N 262.437 4.992 30 10 CJEE CC#CCCCC[C@@H](CC1CC(CC)C1)NCCC 2140883690 ANVFLCKQUSHGHG-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@]1(O)Cc2ccccc2[C@H]1C 2141999351 MPQOLJZYBLCGDN-QAPCUYQASA-N 258.405 4.604 30 10 CJEE C=CCCCCCCCCCN1C(=O)C[C@@H](C)[C@H]1C 2142390259 BREOGFVTRULIKC-HZPDHXFCSA-N 265.441 4.550 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1CO[C@@H](C)C1 2142394917 RXKIRCRNISJLKK-HOTGVXAUSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@@H](N)CCCC 2142403360 ALQNLNLDHBEDCG-DLBZAZTESA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCCCNc1cnn(C)c1Cl 2142404072 INMPWIZYPPNHEB-UHFFFAOYSA-N 283.847 4.792 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCC(F)(F)C1 2142428079 OXDQIKQGABZGRN-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C 2144478004 DMLVJCDCEWHZOB-TXTZMMAHSA-N 280.500 4.641 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@](C)(C#N)c1ccccc1 2145877019 IDNFWLHQFMORQV-PCODUJHASA-N 267.416 4.930 30 10 CJEE CCCCCCCCC(=O)[C@@](C)(O)c1cccc(Cl)c1 2147016447 FFIVIKYPZHDPGD-KRWDZBQOSA-N 296.838 4.867 30 10 CJEE C=CCC[C@](C)(O)[C@H](C[C@@H](CC)CCCC)NCCC 2148601071 MYMJMMQTMGWQHO-BZSNNMDCSA-N 283.500 4.678 30 10 CJEE O[C@]1(CC#CC2CCCCC2)CC[C@H]2CCCC[C@H]2C1 2149856557 ZHBJKHIWWGLFAM-CEXWTWQISA-N 274.448 4.682 30 10 CJEE C=C1CCC(C[C@@H](C[C@H](CC)COC)NCCC)CC1 2152358332 LCNOKBBRFHUCOS-FUHWJXTLSA-N 281.484 4.554 30 10 CJEE C[C@@]1(C2CC2)CSC(=NC2CCCCCCCCC2)N1 2153460568 GLJCJTPSFSCLOP-KRWDZBQOSA-N 294.508 4.741 30 10 CJEE O=CC1(C[C@H](O)CC2CCCCC2)CCCCCCC1 2154439738 JMPRAUYYTZSDLP-QGZVFWFLSA-N 280.452 4.637 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)C1(C)CC(C)C1 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C=C(CNC[C@@]1(C)CCCCC1(F)F)c1ccccc1 2168001546 AJISDBJENPMRJJ-MRXNPFEDSA-N 279.374 4.505 30 10 CJEE C=CC1(C[C@@H](CSc2ccccc2C)NCC)CCC1 2168024313 TYIDUFUEGWVFSC-INIZCTEOSA-N 289.488 4.812 30 10 CJEE C[C@H]1C[C@@](C#N)(Cc2ccc3ccccc3c2)CCS1 2168321933 CKSGLCMREGWMMT-KBXCAEBGSA-N 281.424 4.808 30 10 CJEE CC(C)CC[C@@](O)(C1CC1)[C@@]1(C#N)CCCC(C)(C)C1 2168548271 NRXOEVSALRGIMY-ZWKOTPCHSA-N 277.452 4.674 30 10 CJEE CCCCCC1CCC(C(=O)[C@H](C#N)C2CCC2)CC1 2168700959 VSYGDUZWCSTQNX-BDVYOWHSSA-N 275.436 4.882 30 10 CJEE CN(c1ncc(C#N)cc1Cl)C1CCCCCCCC1 2168887662 MACAEWFSADAJQF-UHFFFAOYSA-N 291.826 4.546 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(C2CCC2)CC1 2171960613 SPPIFRJBGVIGGJ-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2ccc(C3CC3)cn2)CC1 2172842988 IPURZVUOFVEZGJ-GOSISDBHSA-N 268.404 4.711 30 10 CJEE CC1([C@H](O)[C@@]2(C#N)CCCCC2(C)C)CCCCCC1 2173633282 HPZGCOCBXOHCFU-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE CO[C@H](C[C@]1(C=O)CCCCC1(C)C)c1ccccc1 2173653144 VNDXDAXLBRHTDF-AEFFLSMTSA-N 274.404 4.550 30 10 CJEE CC(C)c1ccccc1[C@@H](C#N)Nc1cccc(F)c1 2174244419 JMCKWFFXRYLNMR-QGZVFWFLSA-N 268.335 4.626 30 10 CJEE CCCCCCCCC[C@H](NCC)C1CC2(COC2)C1 2176490019 QRPMPOVWYDUHPJ-KRWDZBQOSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCCCCCN1CC(CO)C1 2177834856 GEJXLMFFOTVIOT-UHFFFAOYSA-N 283.500 4.612 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]12CC[C@@](C)(C1)OC2 2178383364 AVVBINSCTHYUJY-BZSNNMDCSA-N 282.468 4.837 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@](O)(CC)C(F)F 2178797492 NDNHDXYOBBDJLR-GOEBONIOSA-N 293.442 4.511 30 10 CJEE CCCCCC1CC(O)([C@]2(C#N)CCCCC23CC3)C1 2180061998 HAZWOJLVIXMFAN-NXYGQSRBSA-N 275.436 4.572 30 10 CJEE CN(c1cc(Cl)ccc1C#N)C1CC2(C1)CC(C)(C)C2 2181519326 UNRMQBRASNGWBR-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2cccc(C(C)(F)F)n2)C1 2185917447 NXHDWCRPKUYENW-BLLLJJGKSA-N 278.346 4.555 30 10 CJEE CC(C)CNC[C@@]1(CC#C[Si](C)(C)C)CCC[C@H](C)C1 2187477566 XWOSGDXYDKAHMG-ZWKOTPCHSA-N 293.571 4.699 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1cccc(C(F)F)c1)NCCC 2189373863 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CCCCCCCCCN(C)[C@@H]1CC2(CCC2)[C@@H]1OC 2206561281 DTBZRBRWLOVWNP-IAGOWNOFSA-N 281.484 4.626 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)C[C@@H](C)CC(C)(C)C1 2206894359 JCDYEKGFPGALAY-YJBOKZPZSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC(=O)[C@@](C)(O)c1ccc(Cl)cc1 2206895601 WAFPHELUGQFDIC-KRWDZBQOSA-N 294.822 4.643 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@](C)(O)C(C)(F)F 2207374698 CWWQHLSHIKDTQT-OAHLLOKOSA-N 290.394 4.659 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2207390889 JXJFZDSDYKITDU-QKPAOTATSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](N)CC1CCC1 2207430671 XEKNSYAUQUJODV-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1CCO[C@@H](C)C1 2207441331 HNTIXWXLEBTHNX-RCCFBDPRSA-N 281.484 4.826 30 10 CJEE CCC(N)(C#Cc1cc(Cl)c(Cl)c(Cl)c1)CC 2212843075 BPMOXJGLGAEGLI-UHFFFAOYSA-N 290.621 4.516 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C)c(Cl)c(C)c1 2217657037 YUADTANQZCXSFX-OAHLLOKOSA-N 265.828 4.964 30 10 CJEE C=CCCCCCCCNC[C@](C)(F)C(C)(C)F 2220085388 LPWBZKCWFUDBPY-HNNXBMFYSA-N 261.400 4.579 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CC[C@H](C)C1 2220098574 XDUMCSIOYDWQCO-IRXDYDNUSA-N 251.458 4.881 30 10 CJEE C=CCC1(NC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1 2225343801 JNNOSFFOEXNFFB-BJWYYQGGSA-N 261.453 4.681 30 10 CJEE C=CCCCCCCCCO[C@H]1CC[C@@H](C)C(=O)C1 2225690152 SBNAEFXDVFQQNF-CVEARBPZSA-N 266.425 4.677 30 10 CJEE CCCCCCCCCC[C@@]1(CN)CCC[C@@H](C)O1 2226893067 UKTPZXKFTOSZGJ-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=CCCCCCCC[C@H](COCC(C)C)NCC 2227267227 DIACNXIMCLRACD-QGZVFWFLSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(OCC)CCCC1 2227270505 GKBMHPFAOWJQOU-MRXNPFEDSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2227276502 RQYLQXLASUGNHX-BJWYYQGGSA-N 263.469 4.785 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cnc(C2CC2)s1 2227277377 XTFURIGGDPSUCB-CQSZACIVSA-N 278.465 4.937 30 10 CJEE C=CCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1NCC 2227286463 IKAYTSMMRSAWIL-JTDSTZFVSA-N 285.412 4.504 30 10 CJEE C=CC[C@H](CNCC)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230704215 RWPUTTVJVONHQC-FJIDUMEYSA-N 263.469 4.785 30 10 CJEE CCCCCCCCCOCCNCCCC(C)C 2231019184 YCTWSZVRICXKOT-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE C=C[C@@H](CCCCC)OCCCC(=O)c1cccs1 2231033926 QXMMBPUNMZQQSZ-AWEZNQCLSA-N 280.433 4.863 30 10 CJEE Cc1ccc(Cl)c(C(=O)C#Cc2ccc(Cl)cc2)c1 2231072491 FXGNVLZJZXOPDS-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCCCCCOc1ccc(CN[C@H](C)CC)s1 2231443203 FIIBLEVTDWPBFA-CQSZACIVSA-N 283.481 4.985 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2ccc(C3CCC3)cc2)C1 2231694892 ATXNFPCKMDFMRS-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE CCCCCCCC[C@](C)(N)CCC[C@@H]1CCOC1 2231897742 CHICWXLMROLYDT-SJORKVTESA-N 269.473 4.661 30 10 CJEE C=CCCCCCCCCOC[C@H](O)C1CCCCC1 2234047067 FQSMAWGPPSURJK-SFHVURJKSA-N 282.468 4.861 30 10 CJEE C=CCCCCO[C@@H]1CC(CC)(CC)CC[C@@H]1NCC 2234061060 OVWILRFNPOOVEP-DLBZAZTESA-N 281.484 4.696 30 10 CJEE Cc1cc(N[C@@H](CC#N)c2ccccc2)c(F)cc1Cl 2234754224 LXEPEJQKKNVJHE-HNNXBMFYSA-N 288.753 4.854 30 10 CJEE C=CCCCCCCCOC1CCC2(CCCN2)CC1 2235518856 KQJHANQVWILSHY-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCC[C@@H](NCC)C1(CCOC)CC1 2235521181 HCLKJICZFZEIIE-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](N)C1(O)CCC(C)(C)CC1 2235526811 ORVZBURLKXRIHE-MRXNPFEDSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCN1c2ccccc2NC[C@H]1C 2235527845 ZKERVBXGFIBEBG-MRXNPFEDSA-N 272.436 4.834 30 10 CJEE Cc1c(C(=O)C2=CC[C@@H](C)CC2)cccc1C(F)(F)F 2235950365 PBSBXOZHXSFPLY-SNVBAGLBSA-N 282.305 4.943 30 10 CJEE CCCCCCCCCOCc1ccc(CNCC)o1 2239454786 NCWRFCDPVJNUIN-UHFFFAOYSA-N 281.440 4.656 30 10 CJEE C=C[C@@H](CCCCC)Oc1nc(CCC)nc(Cl)c1C 2239494847 IYKKFRUTDYWJFO-ZDUSSCGKSA-N 296.842 4.905 30 10 CJEE CCCCCCCCCCOCC1(CNCC)CCC1 2239500285 JOGYJDHNBNONRW-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCOC[C@H]1C[C@@H]1CNC1CC1 2239510114 KFSXXXNOLLUSBV-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1cnc(OCC)s1 2239809820 QVKIZAFIELGGHE-CQSZACIVSA-N 296.480 4.719 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](c2ccccc2)CO1 2240567122 ZPXATTVESIDYRX-QZTJIDSGSA-N 275.436 4.814 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H](O)CC(C)(C)C1 2240644217 GWEAMKMQUAHJEC-GVDBMIGSSA-N 283.500 4.655 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C=C1CCCC1)NC 2240648258 JJCKRHGLMYAWIO-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cnoc1C1CC1 2240665891 HWLQJLZTFRUGKD-CQSZACIVSA-N 278.440 4.781 30 10 CJEE C=CCCCC[C@H](CCN(C)CCCCC)NCCC 2240888691 UCKARBLZILYHMH-GOSISDBHSA-N 282.516 4.613 30 10 CJEE CC(C)c1cc(Br)cc(C2=CC(=O)CCC2)c1 2247286759 YLRODSZKJXWHBV-UHFFFAOYSA-N 293.204 4.709 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(C)sc1C 2250187868 DIQXMOAOYYJLTF-OAHLLOKOSA-N 251.439 4.762 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(C(F)(F)F)s1 2252692586 VWLJOROJQWBOMX-QMMMGPOBSA-N 262.296 4.552 30 10 CJEE C=CCC[C@H](C)[S@@](=N)(=O)C[C@H](CC)CCCC 2253023779 YSJHRMROJCYJPK-VBQJREDUSA-N 259.459 4.604 30 10 CJEE C=CCCCSc1ccc(C)cc1CNCCC 2259049192 OINOLLPPOSBRNZ-UHFFFAOYSA-N 263.450 4.553 30 10 CJEE C=C(C)CCCC[C@]1(N)C[C@H](C)CC[C@@H]1C(C)C 2259186347 BYLWVIZAHKYGIW-ZACQAIPSSA-N 251.458 4.913 30 10 CJEE C=C(C)CCCCC(=O)c1cc(Cl)ccc1OC 2259231219 GLHQUOVZFDBSNW-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc2sccc2s1 2261163756 JQRHQYFEXCQSAT-GFCCVEGCSA-N 276.426 4.580 30 10 CJEE C=CCCCCCCN[C@@H](CCC(F)F)C(C)C 2264123144 CSFSUQPCXGINOZ-AWEZNQCLSA-N 261.400 4.782 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cc(C)c(F)c(C)c1 2264401076 JYINENDYQVMPTD-WBMJQRKESA-N 263.400 4.695 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264912262 IBLZCIQXNHWFAN-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=CCC[C@@H](C[C@@H]1CC(F)(F)C12CCC2)NCCC 2266343123 SUMBDKKMSLBPPX-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@@]1(C=O)CCCC(F)(F)C1 2269467980 JSJIJBXABHPJMS-RBSFLKMASA-N 272.379 4.988 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(Cl)c2)cc(C)c1C 2270593911 MMFIZGQWVDBVSH-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCCCCCCCS[C@H]([C@@H](N)CC)C(F)(F)F 2271512666 AFILUPDWSXYOEW-QWHCGFSZSA-N 297.430 4.914 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)CCC(F)(F)C1 2271749607 FPVZEKGKFKHTOW-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE CC(C)CCC[C@H](C)CCO[C@@H]1CCCC(=NO)C1 2272354542 IBCNAIYMRZIHPO-GOEBONIOSA-N 269.429 4.628 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]12CCC[C@@H]1CC2 2273365049 LICGEVDZGYDMTJ-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE CC1(C)CC(C)(C)CC(O)(C#CC2CCCCC2)C1 2274053402 QQHFTWFOCITHOO-UHFFFAOYSA-N 262.437 4.538 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C(CC)(CC)CC 2274075464 VLFWYRHQQQLUQP-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CCCCc1ccc(NCC#CC2CCCC2)cc1 2274117589 HVIBXMNVCVXDFV-UHFFFAOYSA-N 255.405 4.635 30 10 CJEE C=C(C)CCCC[C@](CC)(CCC)OCCC(=O)O 2276112179 UATSFOFRABECGQ-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1cscc1F 2276512143 VCRPVPVWLOSORU-OAHLLOKOSA-N 287.444 4.654 30 10 CJEE C=C(C)CCOCCCCCCCCCCC(=O)O 2278771621 QBDLYIHKMWVGPK-UHFFFAOYSA-N 270.413 4.565 30 10 CJEE Cc1ccc(NCC[C@H]2CCCCC23CC3)cc1C#N 2279733054 WIPFONCAGPZRIL-MRXNPFEDSA-N 268.404 4.639 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CCCC[C@@H]1C[C@H]1C 2280444187 NAZUHXWSWKXCFA-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE N#C[C@@]1(CC[C@H]2CCCC23CC3)CCOC12CCCC2 2281334593 XKTMLNOOKGXWRI-NVXWUHKLSA-N 273.420 4.590 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2csc(C3CC3)c2)C1 2283060082 HFQLXPAHRVRHPX-DQYPLSBCSA-N 289.444 4.769 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cccc(Cl)c1OC 2283162791 UDGYYYGPRNLLOS-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2284106134 RUSPWXGCZLZJDF-KZNAEPCWSA-N 273.464 4.541 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1C(C)=CCC[C@H]1C 2284109449 MZMSRXGRXQOUAE-KURKYZTESA-N 273.464 4.563 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@H]1CCC2(CCCC2)C1 2284138656 CXLHULWBJHNFBX-KRWDZBQOSA-N 273.464 4.637 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC[C@H](C)CC1 2284161423 WAESNFYKOHBKRE-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CCCCCCCCNCc1ccccc1NCCC 2286920535 LTPKLVVOIACAEC-UHFFFAOYSA-N 276.468 4.959 30 10 CJEE C=C[C@@](C)(CC[C@H](C)CCCC(C)C)CNCCOC 2287982523 MVZSRJOVSZITFL-MSOLQXFVSA-N 283.500 4.657 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2nc(Cl)ccc2C#N)C1 2290273997 SOOJFYRLSLWZIX-GFCCVEGCSA-N 291.826 4.623 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)C1=CCCC1 2291194208 VZWNBRSEAGLORJ-MRXNPFEDSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)c1cccs1 2292642766 BYTXUJRIECDZQH-KRWDZBQOSA-N 295.492 4.855 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC[C@H](C)CC1 2294016043 SPIDMVIMCVLRAK-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCCC[C@H]1C(C)C 2294275880 QMEOVPTVHNPMCL-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CC[C@H](CC)C1 2295522611 PWGNHSRXQMOIMP-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NC)c1ccsc1 2295680156 WNBVRTCFCJUENC-IAGOWNOFSA-N 297.508 4.900 30 10 CJEE CCCCCCCC[C@H](NC)c1cnn(C2CCC2)c1 2296459702 OIETUHOSLTZHLB-KRWDZBQOSA-N 277.456 4.619 30 10 CJEE CC#CCCCC(=O)c1ccc(Cl)c(Cl)c1C 2301219918 MWRXDOFJEFKNKR-UHFFFAOYSA-N 269.171 4.678 30 10 CJEE CC(C)=CCC[C@H](C)OC[C@@H](CS)C(C)(C)C 2302765788 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CCC(C)(C)[C@H](C)N(C)C[C@](C)(CS)C(C)(C)C 2327278674 NDTWVHVWYROJDG-XJKSGUPXSA-N 273.530 4.725 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1[C@H]2CCC(F)(F)[C@@H]12 2333706365 LSGCTWHZOKHIAH-BPLDGKMQSA-N 270.363 4.764 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334308712 DPPCCGCBTVAVHR-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Sc1cc(C(F)(F)F)ccc1N 2335194167 MHAWWKPRGMJSID-UHFFFAOYSA-N 287.350 4.901 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC2(CCCCC2)[C@H]1NC 2335195056 UMFFFUDOBWRKOJ-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCC[C@H]2N 2335248534 PNINKCVLXFYTDN-QGZVFWFLSA-N 273.445 4.636 30 10 CJEE CCCCCCCCCCC[C@H](C#CCSC)NC 2336190572 SZYQWQVFEDSNGD-QGZVFWFLSA-N 283.525 4.862 30 10 CJEE C=CCC(C)(C)COCCCCCCCNCCC 2337980007 STRYDRSGJWGDBO-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1 2338677605 PFQCKDMRRYTWIP-KSZLIROESA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@]1(CC)CC1(F)F 2338746823 KDVIKHXSYFGIBH-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2338775229 GYAYDZRCGMULQO-SWLSCSKDSA-N 281.802 4.794 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@@H]2C[C@H]21 2341991421 QFPPMEULVOBIQN-RBSFLKMASA-N 273.445 4.955 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2342348302 MBJRWNAPPIFRDG-GHMZBOCLSA-N 286.284 4.750 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CC[C@H]1C1CC1 2342436840 VKKPDLRCMXUVNU-ROUUACIJSA-N 263.469 4.929 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)NCCC 2344335797 CSXSCUJUALKHAM-QZWWFDLISA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc2cccc(C)c2o1 2344335855 DEGRKGGAWMWKHX-DLBZAZTESA-N 257.377 4.733 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)ccc1C 2344341429 BSDPLSJOIGTUID-QZTJIDSGSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)C1CC(C2CCC2)C1 2344344026 RBTHESIZXNTXPW-ZGUYJTEBSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344350021 YFNPNOIZFUIAMH-ICUGJSFKSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC(C)(C)C(F)(F)F)NC 2344354903 DGHFLWZLPMJSIH-OCCSQVGLSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc([C@@H]2CC2(F)F)cc1 2344374632 JHLDZVMCALLCAF-ZDUSSCGKSA-N 264.315 4.594 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1cccc(C(F)F)c1 2344475256 UMARLKNZKNEYTC-ZBFHGGJFSA-N 268.347 4.520 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)ccc1C(C)C 2352931216 WPJXTJYOLYVQRG-MAUKXSAKSA-N 259.437 4.981 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)C[C@@H]1CCOC1 2353230228 OAAFQWOVUQTSRC-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2357291187 UJUFJSUXSBIZOJ-JGTMWYTQSA-N 285.456 4.811 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@H]1CC 2358321348 GUGDALQNJDDDPR-NUJGCVRESA-N 280.452 4.659 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@]12CCC[C@@H]1CC2 2359786851 JJIAXENPNMUPEJ-KZNAEPCWSA-N 280.500 4.929 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1C[C@@H]1C)OCCCN 2360088819 HALUYRLOTSUFCJ-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)S[C@H](c1cccc(F)c1)[C@H](N)CC 2360333085 HWCOHJPHBFYTHX-IAGOWNOFSA-N 293.451 4.858 30 10 CJEE C=C(C)COc1ccccc1C(=O)Nc1ccc(C)cc1C 9877445 OXCHDXQRWFABPH-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE N#Cc1ccccc1Nc1ccnc2ccc(Cl)cc12 32605088 SDTKEOWDVDZBAU-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3[nH]2)C1 37154994 NGUIPDPCTFMXFS-DVOMOZLQSA-N 299.443 4.764 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 49028841 JSHXFKZUUSGKET-BFYDXBDKSA-N 290.476 4.677 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)cc1)c1c(F)cccc1Cl 57723773 ATZBVKRAVJINSA-LLVKDONJSA-N 294.156 4.982 30 10 CJEE CCc1cc(C[C@@H](C#N)c2ccccc2Cl)ccc1OC 57762419 NAWBVJRFMRYOGM-HNNXBMFYSA-N 299.801 4.761 30 10 CJEE CC(C)c1ccc(/N=C2/N[C@H](c3ccccc3)CS2)cc1 63001281 GBUYCKIHIKPCDZ-KRWDZBQOSA-N 296.439 4.875 30 10 CJEE C=C(C)COc1ccccc1CNCCC1=CCCCC1 66115798 GTHSVUGYOZUQIH-UHFFFAOYSA-N 285.431 4.622 30 10 CJEE COc1ccc(-c2cc(C#N)c(C(C)C)o2)cc1Cl 77079756 GWWLGTYZJJFLOH-UHFFFAOYSA-N 275.735 4.604 30 10 CJEE CCCc1oc(-c2cc(C)c(C)cc2OC)cc1CC#N 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259.176 4.664 30 10 CJEE CCC#C[C@@H](C)Cc1c(OCC)cc(C)c(Cl)c1C 107623725 XKMHJUQYFMFGOW-GFCCVEGCSA-N 278.823 4.948 30 10 CJEE CCCCCCCO[C@H](CC)[C@@H](NC)c1ccccc1 110081536 DJRYUTDGTDGYKB-MSOLQXFVSA-N 277.452 4.713 30 10 CJEE CCCCCCCCCCOc1ccccc1CNC 110091746 LXTYYMHMHCXGJH-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc([C@H](C)N)cc1 115854879 QDAGFELKZSOSCT-HNNXBMFYSA-N 290.451 4.786 30 10 CJEE CCCCCCCC[C@H](CNC)c1cccc(F)c1 118854599 XMWNYLNQAPFKHN-MRXNPFEDSA-N 265.416 4.879 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccc(C)cc1)NN 122199563 DTLZQHBQGUVKBT-IBGZPJMESA-N 290.495 4.900 30 10 CJEE CC(C)CC[C@H](C)Nc1cc(Br)ccc1C#N 123284533 OVDORPPURPMIOB-NSHDSACASA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1OC(C)C 124284794 BGPBZPDWWOUTNM-QGZVFWFLSA-N 292.467 4.729 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc2sccc2s1 124656285 RKDPIIVUKOISKN-GFCCVEGCSA-N 277.458 4.807 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1COc2ccccc21 124759313 TWHUIFFHMPKJFJ-IAGOWNOFSA-N 275.436 4.501 30 10 CJEE CCCCCCCCCCNCCC[C@@H]1CCCO1 124828515 OHRYASWINYOXLL-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1cccs1 125700104 VXEFHWHYJAWOJD-LBPRGKRZSA-N 276.792 4.836 30 10 CJEE CCc1ccc(Oc2ccc(C#N)nc2)c(C(C)(C)C)c1 125900353 YREHXERHFHTQIW-UHFFFAOYSA-N 280.371 4.605 30 10 CJEE CCCCCCCCCCCCNCCCn1cccn1 126728834 QZWRTYNPUBVCGS-UHFFFAOYSA-N 293.499 4.784 30 10 CJEE N#CC1([C@@H](O)c2cccc(C(F)F)c2)CCCCCC1 132323420 QKRZWZOTTPBZBV-AWEZNQCLSA-N 279.330 4.522 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@H](C(C)(C)C(=O)O)C1 135051220 WHYZSIPJXWEMRF-HOTGVXAUSA-N 297.483 4.558 30 10 CJEE CCSc1cccc(N2CCCc3ccccc32)c1C#N 136615011 YXIRPUQIUNBDCM-UHFFFAOYSA-N 294.423 4.755 30 10 CJEE CCC[C@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)C(C)C 155838505 CTRMQJADQGNAGV-QWHCGFSZSA-N 292.448 4.515 30 10 CJEE C=C(C)CC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)C 164950729 LZBYTTXXFOLDAF-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCCCN(CC)CCCO 165422748 UYCGQTBRYSYQCP-UHFFFAOYSA-N 271.489 4.612 30 10 CJEE CCCCCCCCCC[S@](=O)c1cc(C)ccc1N 165827482 YFPBSKLHEDMFHY-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE C=CCC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC 167793069 SOQUQEBENVXSBZ-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CC#CCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 169080721 WAAVIWQIPDTTCN-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC(C)C)C2CCCC2)C1 228376562 FYSPRBMULBCRNL-AOIWGVFYSA-N 290.495 4.996 30 10 CJEE CCCCCCCCCCCCN(CCN)C1CCC1 228584771 ZRIRIJXBGUVUFU-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(F)c(C(F)(F)F)c1 228825066 IGUDHJQMLUZUPS-SECBINFHSA-N 261.262 4.611 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](N)c2cc(OC)ccc2O1 229119376 HUOQNIOVDIEDLH-AEFFLSMTSA-N 291.435 4.597 30 10 CJEE CC(C)(CCC#N)CNc1cc(Cl)cc2cccnc12 229674323 JELLHSKCOLMBOM-UHFFFAOYSA-N 287.794 4.630 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(SC)cc1 229754973 BRAYZWSXHGUFCT-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE CCCCCCCCCC(=O)CC1CC(OCC)C1 232176339 ANLQPHCAQWYDCD-UHFFFAOYSA-N 268.441 4.901 30 10 CJEE CCC(=CC(=O)C[C@H]1CCCc2ccccc21)CC 232866442 MMQBXIUPSGIUPV-MRXNPFEDSA-N 256.389 4.812 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(Cl)sc1Cl 233122205 IGHBIBYUAXPKDE-NSHDSACASA-N 290.259 4.899 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(F)c(C)c1 233544864 NOGTXDOTQPTRPP-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2ccc(Cl)cc2Cl)CC1 235615478 WEATURGCXZJDRL-SNVBAGLBSA-N 283.198 4.851 30 10 CJEE Cc1cccc(SCC(=O)C2=CCCCCCC2)c1 235915132 VZELTJSHSUYYEV-UHFFFAOYSA-N 274.429 4.937 30 10 CJEE C=C(C)[C@H](NCCC)[C@@H](c1ccccc1)[C@H](C)CC 253050940 UTNBDMGEVACOOM-NXHRZFHOSA-N 259.437 4.761 30 10 CJEE C=C1SC(=Nc2ccccc2)[C@@]1(C)c1ccccc1 254740730 ZVVUAXXNMJQVMA-QGZVFWFLSA-N 265.381 4.935 30 10 CJEE Cc1cc(Cl)ccc1N[C@H]1CCCCC[C@H]1C#N 305982822 MMPKMUSKBQGAIK-WFASDCNBSA-N 262.784 4.533 30 10 CJEE N#CC1([C@@H]2CCO[C@]3(CCSC3)C2)CCCCCCC1 312451195 CNJLSBGJVAFFIB-NVXWUHKLSA-N 293.476 4.543 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N[C@@H]1CCCC12CCCCC2 312973097 OOLZXNKBHXJJNV-YESZJQIVSA-N 274.452 4.551 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CCCC[C@H]1C 318592975 YPDFMSHJUJUMCI-SJORKVTESA-N 251.458 4.785 30 10 CJEE C=CCCCCCCNCc1ccccc1Br 380021807 MVLZCSYIZPYPCN-UHFFFAOYSA-N 296.252 4.675 30 10 CJEE C=CCS[C@@H](c1ccccc1)[C@H](NC)c1ccccc1 380032677 WNOSCWCORXMXLS-MSOLQXFVSA-N 283.440 4.608 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC[C@@H](CO)C1 380183384 CUTGBNIGASOYBO-QZTJIDSGSA-N 283.500 4.515 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1cccc(C(F)(F)F)c1 384912917 DTDXNHWSWRYLMG-NSHDSACASA-N 271.326 4.568 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OC(C)(C)C=O)cc1 387517747 JPXNVHGOBKCGHQ-UHFFFAOYSA-N 276.420 4.757 30 10 CJEE Cc1c(Cl)ccc2c(C3=CC[C@H](C#N)CC3)c[nH]c12 527405029 SKAAYORAEDTDND-NSHDSACASA-N 270.763 4.837 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1ccc(C)cc1Cl 566947815 YQLIZMPUHUWBDV-GFCCVEGCSA-N 297.851 4.675 30 10 CJEE C#CCCCCC[C@H](N)[C@@H](c1ccccc1)[C@H](C)CC 686691911 WYYJEZHLVZGVCH-NZSAHSFTSA-N 271.448 4.727 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1cccc(C2CCC2)c1 690172089 VMWLWUJKCLVITC-HNNXBMFYSA-N 256.393 4.552 30 10 CJEE CC(C)[C@H](C#N)CNc1ccc(SC(F)(F)F)cc1 690182832 BDSMEGIZAVOTSQ-SNVBAGLBSA-N 288.338 4.506 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1cccs1 692254920 PSRNFOLFYKUOPZ-ILXRZTDVSA-N 263.450 4.924 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCCC[C@@H]1C1CC1 695815333 LOLQTBSTHZAJFO-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](CN)CC(C)C 696039762 XVXLZYRVBQOKGF-ZWKOTPCHSA-N 285.516 4.889 30 10 CJEE Cc1ccc(COc2ccc(C(C)C)cc2)cc1C#N 701879262 CJPYPEWQRDFBNB-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE Cc1cc(SC[C@H](CS)C2CC2)nc2ccccc12 701999342 SXWFAYOROJAQGG-ZDUSSCGKSA-N 289.469 4.591 30 10 CJEE CCOC(C)(C)CC1(C#N)CC(C)(C)CC(C)(C)C1 702694001 IHBSZPPSMBRGFP-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)cc1OC 703996255 SEIQWAQTDRIMRZ-HNNXBMFYSA-N 275.436 4.647 30 10 CJEE C=CCCC(C)(C)CNc1ccnc(C(F)(F)F)c1 704021461 GTTYNXJYVFJECM-UHFFFAOYSA-N 272.314 4.505 30 10 CJEE CCCCCCCCC[C@]1(N)CC[C@@H](C)SC1 704865829 CCALUWPCKYZKAR-CABCVRRESA-N 257.487 4.740 30 10 CJEE 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263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(CCC)cc1 2344383956 KCOGQPPQOZGFAZ-GOSISDBHSA-N 258.405 4.743 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc2cc(F)ccc2o1 2344385403 PGNJXJSLMKHQTF-HOTGVXAUSA-N 261.340 4.564 30 10 CJEE CC1(C)CC(CS)(COCC[C@@H]2CC[C@H]2C2CC2)C1 2345010660 NEBYLYDSOBJBOZ-GJZGRUSLSA-N 282.493 4.566 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)c1ccccc1C 2352320642 RGDIOEXTZZJNIC-QGZVFWFLSA-N 279.493 4.804 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2353987140 SVJIDYVGKVISCT-XDNAFOTISA-N 283.500 4.512 30 10 CJEE C=C(C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)OC 2355181216 VQHQXENAAFSZCJ-WNRNVDISSA-N 279.468 4.511 30 10 CJEE CC1(C)[C@H]2CC[C@H](CNc3cccc(Cl)c3C#N)[C@@H]1C2 2359519128 KBAYOXRCWKMSKT-DYEKYZERSA-N 288.822 4.696 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccccc1CC 2360199824 BUMLFRHSMMBQQS-QAPCUYQASA-N 291.504 4.988 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)[C@@H](C)CC1CCC1 2360317992 PFZGZNWAPIXMOA-SZMVWBNQSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CC1CC1 2360375341 AWSVXEZNHHZBIN-GOEBONIOSA-N 284.440 4.643 30 10 CJEE CC(C)(C)C1CCC(Nc2ccccc2C#N)CC1 21504347 GZHIYLWEQNSBNF-UHFFFAOYSA-N 256.393 4.575 30 10 CJEE CCC[C@H](N[C@H](CC#N)c1ccccc1)c1cccs1 55018283 JQDOORNLEGNZQP-CVEARBPZSA-N 284.428 4.834 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)c2csc3ccccc23)c1 55332570 WAVBXPMWIRPKEG-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(=O)OC)ccc1C 59423051 ZRSBUVRLUMGNCL-OAHLLOKOSA-N 291.435 4.943 30 10 CJEE C=C(C)COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 71571132 YKQCRBSAEACNLK-UHFFFAOYSA-N 298.773 4.610 30 10 CJEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1ccco1 83193128 UNNHEQZMFXKIOR-VOTSOKGWSA-N 292.787 4.941 30 10 CJEE N#CC1(c2cccc(Cl)c2)CC(c2ccccc2)C1 86559179 UTYKPLDFZOPGAI-UHFFFAOYSA-N 267.759 4.679 30 10 CJEE CCCC(CS)(CCC)CN1CCCC(C)(C)C1 94577815 LTXIIJQRWMNGCP-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1Cc2ccccc21 102970724 DGSSRTBQXWFJJI-WBVHZDCISA-N 259.437 4.665 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CCCNC1 109652750 HPILPGNKXRYEFP-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE C[C@H]1CC(C)(C)C[C@](C#N)(Nc2ccc(Cl)cc2)C1 110028587 RZQPNIBCGPXWLA-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H](C)C[C@@H]2C)C1 110265426 KPSHBEFTQTZIOF-QXDIGNSFSA-N 290.495 4.851 30 10 CJEE CCCCCCCCC[C@H](C)CNCC(F)(F)F 122358702 MUYJPKYNVDJSJC-ZDUSSCGKSA-N 267.379 4.915 30 10 CJEE CC1(C)CC(Nc2ccccc2C#N)CC(C)(C)C1 124725692 CNKGZBKGWVXKIL-UHFFFAOYSA-N 256.393 4.575 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc2O1 126244432 FTSQUKKQZWZCEQ-MJGOQNOKSA-N 289.463 4.848 30 10 CJEE CCCCCCCC[C@H](CSc1cccc(F)c1)NN 126921644 ZGEWYDZJMKYEBQ-OAHLLOKOSA-N 298.471 4.500 30 10 CJEE CC(=O)/C=C(/C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 131589731 PCTFVCRIUUNAMF-CLTKARDFSA-N 296.210 4.717 30 10 CJEE CCCC[C@H](CC)Nc1ccc(Br)cc1C#N 132220401 AROAMMWNLPTTEJ-ZDUSSCGKSA-N 295.224 4.701 30 10 CJEE CCSc1cccc(Nc2ccccc2CC)c1C#N 136613628 SWUXABQSMCEWMI-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE CCCCCCCCNc1nc(NCCC)ncc1Cl 159053290 DKUCRZZCQROYSI-UHFFFAOYSA-N 298.862 4.724 30 10 CJEE N#Cc1ccc(COc2ccc3c(c2)CCCC3)c(Cl)c1 162986792 OGESLHZZOLTVEM-UHFFFAOYSA-N 297.785 4.669 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ccnn1C 165817283 LGPJMUFPINXZOH-INIZCTEOSA-N 279.472 4.602 30 10 CJEE C=CCSc1nc(-c2ccccc2)nc2ccccc12 196443015 FOVUGYOBTMHPGG-UHFFFAOYSA-N 278.380 4.575 30 10 CJEE CCCCCCCCCCNC[C@@H](CCC)CCO 227421990 JPIVPIYUIZIWET-KRWDZBQOSA-N 271.489 4.515 30 10 CJEE CCCCCCC[C@@H](Cc1ccco1)NCCC 229189330 BUUHNLYLZRGTHQ-HNNXBMFYSA-N 251.414 4.551 30 10 CJEE CCSc1cccc(NC[C@H]2CCC[C@H]2C)c1C#N 230683948 FUEVHVCGQOXDIP-CHWSQXEVSA-N 274.433 4.518 30 10 CJEE CCCCCCC[C@H](CC1CC(OCC)C1)NCC 232178414 MZYAZUPBXVFFCR-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE C=C(C)CCC(=O)c1cc(Cl)cc(Br)c1 232451713 KCEHRYVPHCBVJI-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCC1(CNc2ccc(C#N)c3ccccc23)CC1 232958409 PJINNLORPUAQRA-UHFFFAOYSA-N 264.372 4.704 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](C)c1ccccc1 233605103 NXBRBUBQUWJUNA-SJLPKXTDSA-N 259.437 4.905 30 10 CJEE CSc1cccc(Nc2ccc3ncsc3c2)c1C#N 235095612 POKKZXFXUGCJSF-UHFFFAOYSA-N 297.408 4.633 30 10 CJEE C=CCCCCCSc1cc(Cl)ccc1N 236338582 JWLFOWVFEHTIEA-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE C=CCCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 302344888 HYLJYOIVAFUKJS-VIFPVBQESA-N 276.182 4.749 30 10 CJEE C=C(Cl)CSc1c(Cl)cccc1Cl 306495540 BXZXDISQZQUMAV-UHFFFAOYSA-N 253.581 4.838 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccsc1Cl 312587809 SSGOXPBEIBLAIM-LLVKDONJSA-N 283.183 4.732 30 10 CJEE C=CCOc1ccc(CNc2ccccc2OCCC)cc1 315753444 IBESMAAJXWYAJV-UHFFFAOYSA-N 297.398 4.652 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccccc1C(F)(F)F 385022442 OPBIIHXOXAVPCP-FZMZJTMJSA-N 267.294 4.677 30 10 CJEE CC[C@@](C#N)(Nc1cccc(Cl)c1)C1CCCC1 387520888 HTROAASVWIJJAG-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)(C)C 398081644 DMXRWIAXABAEFP-HRCADAONSA-N 251.458 4.926 30 10 CJEE Cc1cnc(CCC2(C#N)CCC(C)(C)CC2)c(C)c1 401038217 IHDWPLGISNGEEO-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H](CC)CC(F)(F)F 402754583 WUEVUBBJXOYWQL-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(c1ccc(F)cc1Cl)C(C)C 466873074 NSAHIMSHRSWNSD-LBPRGKRZSA-N 297.801 4.823 30 10 CJEE N#CCc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)nc1 514263533 DAECYZUPQTUUMB-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC[C@@H]1CCCCC/C1=C/B1OC(C)(C)C(C)(C)O1 575598222 XQASTRYJUKDLMP-NXXVSJRMSA-N 264.218 4.535 30 10 CJEE C[C@H]1C/C(=N/c2ccccc2)[C@H](C)CN1Cc1ccccc1 585666876 UNELJYXELGIDJV-WIWAJNDWSA-N 292.426 4.690 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H](C)CC(F)(F)F 686701302 QJXNXTKGUZGDMK-KGLIPLIRSA-N 277.374 4.527 30 10 CJEE CC[C@@H]1CCCC[C@H]1/N=C1/NC2(CCCCC2)CCS1 687317930 AIMFMRKEXHTHGT-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE CC1CCC(C/N=C2/NC3(CCCCC3)CCS2)CC1 687319905 NHQWMSPWQZYKGX-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE C=C([C@@H](NC)C1CC(C)(C)CC(C)(C)C1)C(F)(F)F 688344845 UCPZBQHWWJZLST-GFCCVEGCSA-N 277.374 4.545 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nsc2ccccc12 692226132 CIQXGYUCMIVGAP-OCCSQVGLSA-N 272.417 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(F)c1 692272168 KYVBLIJAOURQJE-JJRVBVJISA-N 261.384 4.611 30 10 CJEE CCCCCCCCCCCCN(C)C1(C(N)=S)CC1 694012481 SNQSDNGLVBRZKL-UHFFFAOYSA-N 298.540 4.658 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)CCC[C@@H](C)N 696064484 LAWOWIHOZCXXJU-BBWFWOEESA-N 271.489 4.642 30 10 CJEE C=CCCSCCN[C@H](C)c1ccc(C(C)(C)C)cc1 696086115 PWWLDOXDNGCOMT-OAHLLOKOSA-N 291.504 4.944 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1C[C@H]2CC(=C)C[C@H](C1)C2 697268666 BPDTZBLVJBIXMI-BMFAXAFESA-N 273.464 4.846 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC[C@@H](CC)C3)C[C@@H](C1)C2 697298562 XZRKLVWLBUAICT-LPNAZMDGSA-N 261.453 4.680 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@H]3C3CC3)C[C@@H](C1)C2 700385692 OOAJFOLCZANDJF-CQSBONJFSA-N 273.464 4.680 30 10 CJEE CCCCCCCCCC[C@]1(N)CCCN(CC)CC1 705023247 JLMDPWKXLXEZPA-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CC(C)[C@@](O)(C1CC1)C1(C#N)CCC(C(C)(C)C)CC1 705354832 LBDLKZRMEAITQY-IUPXNIOVSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)NCC 708043061 XHADSBZPUIIMHX-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCCC[C@H](CCC(C)(F)F)NN 713922977 GJDCWMMJGRZYFQ-CQSZACIVSA-N 278.431 4.785 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)cc1F 715795933 DXNTWETUAUILNJ-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc2c(s1)CCSC2 715832404 YPLRGVNLGRKZEJ-MLGOLLRUSA-N 295.517 4.790 30 10 CJEE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN(C)CCCCCCCCCS 716532796 GDLCZMCIJIFRDQ-ZJPYXAASSA-N 297.552 4.871 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC2(CCC2)O1)NCC 716891715 VJLRXHHUMOMEJR-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC2(CCC2)O1)NC 716900678 OMPUSRUXVVCSEK-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2scnc2Cl)CC1 721815829 VPXCVCBYEAPABY-UHFFFAOYSA-N 299.867 4.761 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccc(F)c(C)c2)CC1 724568348 RORLIRHPDYRJMF-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccc(C)o2)CC1 724606903 YFGZDUGZTLSDGM-INIZCTEOSA-N 261.409 4.765 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 724608080 SEFIGMKCJFDLST-KFWWJZLASA-N 289.385 4.819 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@@H](C2CCCC2)CCS1 725090710 UDLOWSCYHQZPLX-JKSUJKDBSA-N 296.524 4.987 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1129235256 DYYGXGYVBSWPLR-WNSBAQCNSA-N 291.479 4.724 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 1134626891 SNOWJRHUOOWKSA-IBGZPJMESA-N 291.394 4.778 30 10 CJEE C=C(CC)CNc1nc(C)nc2scc(CC(C)C)c12 1163499997 GYQZVMUWDGPQBL-UHFFFAOYSA-N 289.448 4.576 30 10 CJEE C=CC[C@H]1N(CCCSC(C)(C)C)CCCC1(C)C 1169844648 ORAFYDGRIICRFH-OAHLLOKOSA-N 283.525 4.975 30 10 CJEE C=CCC[C@H](CCC)NCC[C@@H]1CCCC1(F)F 1207302950 WSDKXXOBTBDWGF-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)c1cccc(N[C@H]2Cc3[nH]c4ccccc4c3C2)c1 1207742146 QCQPOKAZKFQGEX-MRXNPFEDSA-N 288.394 4.780 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(Cl)c(C)c1 1271935671 QJSHMHQOFLUQOM-UHFFFAOYSA-N 279.811 4.515 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)CC2CCCC2)CCCCC1 1272725949 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C=CCCCCCCCCCOC[C@H]1CNC[C@H](C)C1 2207428068 UGPPWRLQUUZLFX-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](NC)[C@@H](C)CC 2207430317 SWBICUORQBERDW-FUHWJXTLSA-N 281.484 4.887 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)C1 2207438217 QNURRHULPHUJMJ-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1C[C@H]2CCC[C@H]21 2207442562 SDCRUDSAANMXES-TVFCKZIOSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H](O)CCCC(C)C 2207442813 UNLSMPVNFXCUFK-QZTJIDSGSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCCNC[C@H]1CCC[C@H](C)O1 2207449964 SHILDSLRYNSUJT-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H](NCC)c1sccc1C(=O)O 2207451484 XTDFFLGVPXVPAY-AWEZNQCLSA-N 297.464 4.848 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1CC[C@H](C)CC1 2207454857 YORCIGMOGWMTES-ULQDDVLXSA-N 282.468 4.883 30 10 CJEE CCCCCCCCc1cc([C@@H](N)C2CCCC2)on1 2207458875 UUDZQSXHMPVASB-KRWDZBQOSA-N 278.440 4.768 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cc(Cl)cc(F)c2Cl)C1 2217017101 GTRGWHKPAKBHQL-ZETCQYMHSA-N 273.134 4.515 30 10 CJEE CCCCCCCCCOCCC[C@@H](N)C(C)C 2223205828 SZGQNFOJCRRKSE-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCCCCO[C@@H](CN)C(C)C 2223278012 YUDJEEGJTJASJU-INIZCTEOSA-N 257.462 4.517 30 10 CJEE C=CCC[C@@](C)(O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225261570 NBVYWYKKOUCJDH-LXTVHRRPSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCCCOCC[C@H]1CCCC1=O 2225687883 JOOZTQMABZRODN-MRXNPFEDSA-N 266.425 4.679 30 10 CJEE CC1(C)C[C@@](C#N)(CCCCCCC2CC2)CCO1 2225785717 DTINGYRWHPISSQ-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCC[C@H](C)O1 2226889981 SIRDXDKKLZTWPN-YESZJQIVSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](OC)C(C)C 2227269988 BZEKOFWZUDDWRO-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCC[C@H](NC)c1sc(C)nc1C 2227272756 OXDKBUGKCBUESN-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE C=CCCCCCCC[C@@H](N)CC[C@@H]1CCCCO1 2227273864 RRQYFZUXQSPKLU-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCN(C)[C@H]1C[C@@H]2CSC[C@@H]2C1 2227278932 FJJATACVIZLJIA-FVQHAEBGSA-N 281.509 4.586 30 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265.784 4.697 30 10 CJEE C=CCCCCCCCS[C@H](CC(=O)O)C(C)C 2258982140 WNZMZXNXCSFBBU-CQSZACIVSA-N 272.454 4.746 30 10 CJEE C=CCCS[C@@H]1CC(CC)(CC)CC[C@@H]1NCC 2259043791 CPIXIEYQMAPJHT-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCCC1(CNCC)CCC(C)CC1 2259237390 MWOBAQOYJDQTNR-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]12CCC[C@@H]1CC2 2260509137 TYFGFHUAOJCFGD-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1csc(C2CC2)c1 2267849792 QUQQKYYUYPBIOL-OAHLLOKOSA-N 275.461 4.716 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1cc2ccccc2s1 2271834910 LLCIHBSLVCUCNK-CQSZACIVSA-N 274.433 4.542 30 10 CJEE N#CC1(CC2CC3(CC(F)C3)C2)CCC(F)(F)CC1 2272216331 QQWLLLCVCODNPS-UHFFFAOYSA-N 271.326 4.624 30 10 CJEE C=CCCCCCC[C@H](CCCCC)OCC(=O)O 2275245079 FXURJDRBHIWLJZ-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](OCCN)c1sccc1CC 2276128560 XGVKVWMAWJKOTK-OAHLLOKOSA-N 283.481 4.687 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCC[C@@H](C)C1 2276456292 OIMZLQPGTFMZJQ-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H](C)C(C)C 2276605916 PTAYRKZDRUOMJO-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@H](C[C@H](C)C(C)C)OCCCN 2276775492 FKHQEXKOQCAMJE-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CN(c1c(F)cccc1C#N)C1CCCCCCCC1 2280444946 BOZPFKKVPKGJNP-UHFFFAOYSA-N 274.383 4.637 30 10 CJEE CC[C@@H](Nc1cc(C)c(C#N)c(C)c1)c1ccccc1 2280562236 PPTKEVXHTFIWLP-GOSISDBHSA-N 264.372 4.738 30 10 CJEE N#C[C@@]1(CC[C@H]2CCCC23CC3)CCc2ccccc21 2281331520 KYGPHHJBNLETOY-APWZRJJASA-N 265.400 4.755 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1(C)CC(C)(C)C1 2284089840 NFDZBXTXHXUNLW-INIZCTEOSA-N 275.480 4.787 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1C[C@]1(C)COC 2284632235 ZLDZHZSMHLBCJO-ZWKOTPCHSA-N 283.500 4.732 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1csc(C)c1C 2287388576 ULXHUKUNHAQPIW-SJORKVTESA-N 295.492 4.513 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@H](OC)C1(C)C 2287408565 JSEYNFVVWQZRKJ-IKGGRYGDSA-N 281.484 4.552 30 10 CJEE C=C(C)CCCCNc1ccc(C(F)(F)F)cc1C#N 2287472954 NSJZUXHUCVWLRS-UHFFFAOYSA-N 282.309 4.735 30 10 CJEE CN(C[C@]12CCCC[C@@H]1CC2)c1ccc(Cl)cc1C#N 2289089595 UACGIVNFPKRIOV-RHSMWYFYSA-N 288.822 4.618 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)ccc1F 2289704962 NPGWVXCYPZNFBE-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CC[C@H]1CC1(C)C 2289866870 KMCAVUCOWCEHFP-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@H]1C[C@H]1CC 2290639355 XRQVRUURSQEWBW-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CC[C@@](C)(CCCCCCC1CC1)OCCC(=O)O 2291325539 PXWJFYKPWNHJJX-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@](CCC)(OCCC(=O)O)C1CC1 2291438820 GTKCQHOFLPKKOO-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@]1(OCCC(=O)O)CC[C@@H]1C 2291819292 RESWVTUXANGBDB-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@H](C(C)C)C1 2291939201 CWNBJYPEPFIEGL-RDJZCZTQSA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](C)[C@H](OCCC(=O)O)C(CC)(CC)CC 2292317994 HLACIPDQTUOXML-HOCLYGCPSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@H](CC)C(C)C 2292778150 CFGYJCOQHQALPL-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE C=CCCCCC[C@@](C)(CCC(F)(F)F)OCCCN 2292883521 YBYXANDJLQJFPA-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)C1CCCC1 2293775734 IADGNXNNKPPMDL-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@H]1CCCC[C@H]1C 2294048187 OIMVCVCNPOQDFX-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@@H]2CCCC[C@@H]21 2294579430 JIPORAZZTPNSOT-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@@](CC)(OCCN)C1CCC(C)(C)CC1 2294623206 XTIQGIWZSKWMLX-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(CC(=O)O)N(CC)CC 2295537407 ZAOMFHRVIDTILZ-KRWDZBQOSA-N 285.472 4.702 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cnc(CC)[nH]1 2295669838 ZXZTUDPLMAHDIJ-HNNXBMFYSA-N 279.472 4.591 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)CN(C)C(C)C 2295690563 CWUYKKOZEDKOEG-MSOLQXFVSA-N 284.532 4.834 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](c1ccccc1)C1CCCC1 2295714094 LCMMZWWOINUIHG-MOPGFXCFSA-N 269.432 4.555 30 10 CJEE CC(C)Oc1ccc(C=C2Sc3ccccc3C2=O)cc1 2297453661 GDUYXCSYMNYEHP-UHFFFAOYSA-N 296.391 4.803 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(Cl)c(Cl)c1 2301011349 XBYBQHJLWPZCTB-UHFFFAOYSA-N 269.171 4.945 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@H]12 2308623446 CXYDCRMWJSNUNV-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)Sc1ccccc1[C@H](C)NCCC 2313690891 AYSPBRIQPUKJRC-KBPBESRZSA-N 263.450 4.804 30 10 CJEE C=C(F)C[C@H](NCCC)c1c(F)ccc(C)c1Cl 2314008100 XETFHTZPWAKALL-LBPRGKRZSA-N 273.754 4.702 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCC[C@@H](CC(C)C)C1 2316710775 ZCVPFANGBGPZCH-RDJZCZTQSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCC[C@H](CCC)CC1 2316742907 DHRJMUXAUHHGSI-DOTOQJQBSA-N 250.426 4.866 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)c(Cl)c(F)c1 2319286149 GVAWUUHRCYYNCC-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CCC(C)(C)CC1)NCC 2321105274 NYJICVLGFICWIR-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CCC[C@H]1CC1(C)C)NCC 2321114078 UVUUNYKXWUSUGV-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H](C)C1CCCCC1)NC 2321142720 YQZXCVZWOCECOZ-GOEBONIOSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@H]1C1CCCC1 2321219196 GMZMAOMMJKAFDF-TWMKSMIVSA-N 250.426 4.556 30 10 CJEE Cc1ccc(C(=NOCc2ccccc2F)C2CC2)cc1C 2330296770 SIMPXRYADPPYJM-UHFFFAOYSA-N 297.373 4.773 30 10 CJEE C[C@H]1CC=C(C(=O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1 2331258531 VBNBAOCKRKGODS-HJWJTTGWSA-N 260.421 4.908 30 10 CJEE CCCCC#CC[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2333166542 KIESJKRHQGTVFV-RCCFBDPRSA-N 262.437 4.538 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCCC(F)(F)[C@H]1NC 2335095944 HWXTVHIDGWRBFQ-IHRRRGAJSA-N 291.451 4.630 30 10 CJEE C=C1CCC(C[C@H](O)c2c(F)ccc(C)c2Cl)CC1 2335405568 CZXNFQJAKSAHOT-AWEZNQCLSA-N 282.786 4.957 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccncc1C(C)C 2338608650 CBRPKCYFUQFMAD-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C#C[C@H](NCc1ccc(Cl)c(Cl)c1C)C1CCCC1 2338658875 ZQXGJEPELHRMGJ-HNNXBMFYSA-N 296.241 4.583 30 10 CJEE N#Cc1ccc(N[C@@H]2C[C@H]3CCC[C@H]2CC3)cc1Cl 2339077335 UEWWXFHULORIJZ-MQIPJXDCSA-N 274.795 4.592 30 10 CJEE C=CCC1(NCc2ccc(F)c(C)c2Cl)CCCC1 2339326610 WVVTZKWPQUZWQH-UHFFFAOYSA-N 281.802 4.766 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1c(Cl)cc(F)cc1Cl 2340805756 YCWZODYCMOBMCX-OAHLLOKOSA-N 297.156 4.879 30 10 CJEE CCCCCCCc1nc2ccccc2n1CCC 2340851451 SKPAHNUAJYLSNE-UHFFFAOYSA-N 258.409 4.959 30 10 CJEE N#CC1(CCC2(C(F)(F)F)CC2)C[C@@H]2CC[C@H](C1)S2 2344824557 DGMZFCKMHWXFTD-FOSCPWQOSA-N 289.366 4.677 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)C[C@@H](C)[C@@H]1C 2351916605 ZESUBQVNZZTAIL-IJEWVQPXSA-N 284.465 4.746 30 10 CJEE CCCCCCCC[C@@H](CN)N1C[C@@H](CC)CC[C@@H]1C 2358323781 XIPHDSZQCPYBGG-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CC[C@H](Nc1ccccc1C#N)c1cccc(Cl)c1 20001469 YAQRSQACVIUCFU-HNNXBMFYSA-N 270.763 4.775 30 10 CJEE CC(C)c1ccc(Sc2ccccc2C#N)cc1 22154279 YRJSZCKAJHMZAN-UHFFFAOYSA-N 253.370 4.833 30 10 CJEE O=C1/C(=C\c2cccc(F)c2)CC/C1=C\c1cccc(F)c1 33673600 IFEQEPPBJWNCLN-CKOAPEAFSA-N 296.316 4.795 30 10 CJEE C=CCSc1ccccc1NC1Cc2ccccc2C1 37766699 UPKMWDKKAPYJFA-UHFFFAOYSA-N 281.424 4.544 30 10 CJEE CC(C)c1ccc(OCC[C@@H](C#N)c2ccccc2)cc1 57684632 LYDQCVCDFIIWOF-SFHVURJKSA-N 279.383 4.886 30 10 CJEE CC(C)(C)C1CCC(OC(=O)c2ccccc2CC#N)CC1 58248844 VYKPJKBNPXTKCX-UHFFFAOYSA-N 299.414 4.514 30 10 CJEE N#C[C@@H]1CCCC[C@H]1c1cc(Cl)cc(Cl)c1 62625235 XEHYNDPYWLRFJL-TVQRCGJNSA-N 254.160 4.791 30 10 CJEE C=CCCC[C@H](N)C(c1ccccc1)c1ccccc1 71276522 BFOYDEHYGGLBOV-SFHVURJKSA-N 265.400 4.502 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1ccc(F)cc1 73169180 LWXUHOUSWJHPJW-KRWDZBQOSA-N 280.383 4.569 30 10 CJEE CC/C(C)=N/Nc1nc2cc(C(F)(F)F)ccc2s1 78397641 PSUREHBQNVFATO-REZTVBANSA-N 287.310 4.513 30 10 CJEE C=C(CC)C[C@@H](NCC)C1CCC(CCC)CC1 97208876 INKWERGAISCYEU-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@H](NCC)C1CCC(C(F)(F)F)CC1 97419484 HVTJOYCACOOTNY-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CN(CCCCCCCCCS)Cc1ccc(F)cc1 97799436 HUXICJXODUDVFA-UHFFFAOYSA-N 297.483 4.918 30 10 CJEE CCCCCCOc1ccc2ccccc2c1/C=N/O 103873348 HPOFMTHEFKDDIY-QGOAFFKASA-N 271.360 4.607 30 10 CJEE CCCCCCCC[C@H](Cc1ccccc1)C(=O)O 107241210 ZVXUXVZPYBWFTJ-MRXNPFEDSA-N 262.393 4.681 30 10 CJEE CCCCCCCOCc1c(CNC)oc2ccccc12 107345004 YIJZOIQGNSZNHW-UHFFFAOYSA-N 289.419 4.639 30 10 CJEE CCCCCCCCCCOc1ccc(N)c(F)c1 109686012 IAYMRULKZAZAFF-UHFFFAOYSA-N 267.388 4.927 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OC(F)(F)F)c1 111849443 UGVUSFVHWOHKPW-CQSZACIVSA-N 290.325 4.979 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CN)c1cccc(C)c1 115863156 KAOSPBXADSSMTQ-RTBURBONSA-N 291.479 4.539 30 10 CJEE CCCCCCCc1onc(N)c1-c1ccc(C)cc1 116909017 FZRQHXPCWNDOFV-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1ccncc1F 124796700 QZBGOQFLSHTJCX-QGZVFWFLSA-N 295.446 4.646 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccccc1F)NN 125787090 WQOCXMVKYQERAV-KRWDZBQOSA-N 294.458 4.731 30 10 CJEE CCCCCCCCCOc1ccc(C[C@@H](C)NC)cc1 126783823 AWXQLWRJLWAFOL-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CCOC2(CCC2)C1 130758217 NIBFHEHJWGPHAL-DLBZAZTESA-N 282.468 4.837 30 10 CJEE C=CC[C@H](NCCC)c1cc2cc(F)ccc2s1 136941656 KGKVCKYNHDTHSG-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE CCCCCCCCCCNc1ccc(CCO)cc1 146964815 DMOHMRNFYWYXBI-UHFFFAOYSA-N 277.452 4.774 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(OC)cc(OC)c1 158097757 JZOJBPCHVBCCMT-GOSISDBHSA-N 293.451 4.715 30 10 CJEE CCCCCCCCOc1ccc([C@H](CC)NCC)nc1 162249254 VGSNPWUGANFKQG-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE CCc1cccc(CC)c1NCc1ccc(C#N)cc1Cl 162695923 GOUFCFRCENMFGG-UHFFFAOYSA-N 298.817 4.949 30 10 CJEE N#Cc1ccc(CO[C@H]2CCCc3ccccc32)c(Cl)c1 162974588 IOCDNPJHASKJTR-SFHVURJKSA-N 297.785 4.806 30 10 CJEE Cc1cccc(N(C)c2ccc(C(F)(F)F)c(C#N)c2)c1 164455570 NLYAKBHASWIPQH-UHFFFAOYSA-N 290.288 4.653 30 10 CJEE C=C(C)CC[C@H](CSc1cccc(F)c1)NCCC 164638104 BCJYDSSWZQJWAR-OAHLLOKOSA-N 281.440 4.642 30 10 CJEE CCCCCCCC(=O)c1c(F)ccc(C)c1F 164704830 QKCAJKMESPGVPW-UHFFFAOYSA-N 254.320 4.816 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(Cl)c1F 166859923 IGAJLDLUDNWHQU-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE CC(C)CC[C@@H](C)Nc1cccc(Br)c1C#N 168546331 SFEUFCAXHMMRET-LLVKDONJSA-N 295.224 4.557 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 212150964 PISYZPPNEUVADH-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC1CC1 212325753 HENCOHNYHOVSCV-OAGGEKHMSA-N 263.469 4.783 30 10 CJEE CCn1c(-c2cc(Cl)ccc2C)nc2cc(C#N)ccc21 212370630 QTUVQECEYZSJMQ-UHFFFAOYSA-N 295.773 4.557 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1ccc(F)cc1 222553931 KUSYHZHPWSWBDI-COXVUDFISA-N 274.383 4.592 30 10 CJEE C=CCC[C@H]1C[C@@H](CC)CC[C@H]1CNCC(C)C 227523541 HGWYBEXMBQOFHT-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CCCCCCCOc1cc(CNC(C)(C)C)cc(C)n1 228044708 VBLBZHUNCVPLML-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(C)c1Br 235810599 YTCIVFPFHDORMI-CQSZACIVSA-N 297.236 4.927 30 10 CJEE Cc1ccc(CC(=O)C=C2CCCCC2)c(Cl)c1 235876018 QBCJVVYAXJNMBB-UHFFFAOYSA-N 262.780 4.651 30 10 CJEE C=CC[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C 238482458 SMBXWHQNSUSVSJ-RRFJBIMHSA-N 279.424 4.543 30 10 CJEE CCCCCCCCCCCCN1C[C@H](CN)C[C@H]1C 250826542 NXQPZDMXHJXUII-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCN(CC)[C@@H]1CCC[C@H]1CN 250828002 OTDUHJWFZRLUGC-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCOc1ccc(N=Cc2ccsc2S)cc1 254345033 UIWNEDQJPZKABC-UHFFFAOYSA-N 291.441 4.966 30 10 CJEE C=CCS[C@@H](C(C)C)[C@@H](NCCC)c1ccccc1 311595628 YPTKEJAJPDSNFB-IRXDYDNUSA-N 277.477 4.671 30 10 CJEE C[C@@H]1CC[C@H]([C@@]2(C#N)CCCc3ccccc32)C[C@H]1C 312641813 ZUTDXHMIOWUMRI-RRIFGTCXSA-N 267.416 4.857 30 10 CJEE CCCC[C@@H](C)N(C)c1ccc(C(F)(F)F)cc1C#N 312647275 IWBCKXJAKXVIII-LLVKDONJSA-N 284.325 4.592 30 10 CJEE C[C@@H]1CCC[C@H](C[C@]2(C=O)CCc3ccccc3C2)C1 316812562 OMIIWLYJJNTKEK-JTDSTZFVSA-N 270.416 4.577 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1ccc(Cl)c(Cl)c1 316893504 WQSPVAMNTHXQFZ-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE C=C[C@H](C)C1(CNC2CC2)CCC(C(C)(C)C)CC1 319326131 HGEAERZRDQVVKJ-SYJJWHGVSA-N 263.469 4.783 30 10 CJEE Cc1cc(CC2(C#N)CCC(C(C)C)CC2)cc(Cl)n1 320988045 LYMHYYMYWLTXBP-UHFFFAOYSA-N 290.838 4.942 30 10 CJEE CCCCCCCC[C@H](NCC)C1CC(F)(F)C1 383239184 BJIPMXVPNKAQKW-AWEZNQCLSA-N 261.400 4.760 30 10 CJEE C=CC[C@@H](CNCCC)Cc1cc(Cl)ccc1Cl 386694857 TYSGTNROGMHOSO-GFCCVEGCSA-N 286.246 4.728 30 10 CJEE CCCCCCCCCNC[C@@H]1CCCC1(F)F 390839336 BZCAHPPGIDOGIG-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE Cc1cccc(Cl)c1NC[C@@H](C#N)C1CCCCC1 397140729 KHVYAMWBIYMXFJ-CQSZACIVSA-N 276.811 4.780 30 10 CJEE CCC1CCC(N(C)C[C@@H](C#N)C2CCCCC2)CC1 397150035 FKFUQILANCPQMS-IIIMJFFVSA-N 276.468 4.607 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@@H]1CC1(C)C 397737633 MEHQAFIBAXNIEU-STQMWFEESA-N 261.434 4.811 30 10 CJEE CC(C)(C)C1CCC(C=O)(CCCC2CC2)CC1 406084659 VORTVZIWSYKJEP-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC/C=C\CC 455249644 QZQIQARZSSZYND-FPLPWBNLSA-N 286.419 4.626 30 10 CJEE COc1cc2c(C3=CC[C@H](C#N)CC3)c[nH]c2cc1Cl 527403676 WSLZWXUBLQLAOV-JTQLQIEISA-N 286.762 4.537 30 10 CJEE CC(C)S/C(=N/c1ccccc1)c1ccccc1 585669809 MAELSBZIYYDXIH-WUKNDPDISA-N 255.386 4.907 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](CC)c1ccccc1)c1ccccc1 677510505 GEXIZEDJXZUYCV-LPHOPBHVSA-N 293.410 4.614 30 10 CJEE C#CCCCCC[C@@H](O)c1cc2c(s1)CCCCC2 686679788 PHQIMRMPJBZRLC-OAHLLOKOSA-N 276.445 4.634 30 10 CJEE C=CCSc1ccccc1NCC1(CC)CCC1 687523545 BYRRWRMUMIDLIK-UHFFFAOYSA-N 261.434 4.957 30 10 CJEE CC(C)C1CCC(C#N)([C@@](C)(O)CC2CCCC2)CC1 689834202 XJHXEMAUODGEHK-ADKAHSJRSA-N 277.452 4.674 30 10 CJEE CCSc1cccc(N(C)[C@@H](C)CCC2CC2)c1C#N 691370557 FPIQSILTTAQYSQ-ZDUSSCGKSA-N 288.460 4.685 30 10 CJEE CCSc1cccc(NC(C)(C2CC2)C2CC2)c1C#N 691807095 NSIYDGSFZDSHCV-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c(F)cccc21 692213814 IORVBHXOMINFEH-FSPWUOQZSA-N 273.395 4.538 30 10 CJEE CCCC1CCC(C=O)(CCOCC2CCCC2)CC1 693056300 MOWSOAPJLDUYFF-UHFFFAOYSA-N 280.452 4.759 30 10 CJEE C=C([C@H](NCCC)c1cc(C)c(F)c(C)c1)C(F)(F)F 694900767 CSLOWAIOZFHLRB-AWEZNQCLSA-N 289.316 4.602 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H]1CCCCN1 696472328 KGKPUORITNNWLJ-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@H](C)NC1C[C@H]2CC[C@H](C1)C2 697883350 QLJOGIJPEKBAGW-JYJNAYRXSA-N 251.458 4.904 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)CN1c1ccc(C#N)c(Cl)c1 699412271 RKKCYUCRFNBMRY-SUMWQHHRSA-N 288.822 4.617 30 10 CJEE CCCC(CS)(CCC)CN1CCCC[C@H](C)C1 703280483 IBGNRQCFBQHBEY-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE C=CCCC(C)(C)CNc1ccc(Cl)cc1[N+](=O)[O-] 703944710 LIFBXGHVEOFQTR-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC(C)(C)C[C@@H]1C 704038458 PBGLBUSDMXUDFF-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C[C@@H]1C[C@@H](N(C)c2cccc(Cl)c2C#N)CC(C)(C)C1 709185654 VCNWICIZVYGEBU-CHWSQXEVSA-N 290.838 4.863 30 10 CJEE Cc1ccc(C#N)cc1NC1CCC(C2CCC2)CC1 709938816 KRYMRDOMGOJQSM-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE CCCCCCCCC[C@H](NN)C12CCC(CC1)CC2 710158004 IZYQFCQFVLPDIW-ADKAHSJRSA-N 280.500 4.929 30 10 CJEE C=C(Cl)C[C@@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 710587535 UBXINTVAONABFI-OAHLLOKOSA-N 280.839 4.647 30 10 CJEE C=C(Cl)C[C@H](O)c1c(Cl)cccc1C(F)(F)F 712542465 BEIRFNHZNQNKMT-VIFPVBQESA-N 285.092 4.535 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cccc(OCc2ccccc2)c1 715716527 AHCKSCDFSGOVNS-JXFKEZNVSA-N 295.426 4.738 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C1(OCC)CCC(C)(C)CC1 715751734 DCNUPSRKQUAPKZ-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(SCC)cc1 715798840 LXNRQWCGTCUKQU-XJKSGUPXSA-N 263.450 4.661 30 10 CJEE C=C(C)C[C@H](NCCC)c1csc(C(F)(F)F)c1 718707622 DWTJWTFSBCIDPB-NSHDSACASA-N 277.355 4.774 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@H](C)NCCC 720101304 NOSNWBDFDCDCGU-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CC(C)(C)[C@@H](CS)COC1CCCCCCC1 721133337 BCNYZNKZOGBGET-CYBMUJFWSA-N 258.471 4.708 30 10 CJEE C=CCN(c1cccc(Cl)c1CNC(C)(C)C)C(C)C 723186490 CSNINBLYKJCLNB-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE C=C1CCC(CNC(CC(C)C)CC(C)C)CC1 724441160 SANRRIKTDOVJLA-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C=C1CCC(CC(=O)CCCc2cccs2)CC1 724594420 AYQBVBKZZVAXEL-UHFFFAOYSA-N 262.418 4.776 30 10 CJEE C=CCCc1ccccc1NC(=S)Nc1ccc(C)cc1 799902053 OXYUVBRRKLVQHE-UHFFFAOYSA-N 296.439 4.923 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C/c1cc(C)c(C)cc1C 1126324866 FAQFCLFLHXOREV-VAWYXSNFSA-N 299.458 4.830 30 10 CJEE C=CCSc1ccccc1C(=O)NCCCCC(C)C 1126332658 QIQYBUVTDWOLER-UHFFFAOYSA-N 291.460 4.521 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(Cl)ccc1NC(C)C 1146977982 PZDWMZGGEHFWGP-UHFFFAOYSA-N 294.826 4.701 30 10 CJEE C=C(CC)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1156155672 ONXLCKZLOADDEF-UHFFFAOYSA-N 285.318 4.523 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2cccc(C(C)C)c2)C1 1202059209 UPBYJRWLSNHDME-YJBOKZPZSA-N 257.421 4.644 30 10 CJEE C=CCCc1ccccc1NCCc1ccc(F)cc1 1205503695 GOKKMVHYHQPMAR-UHFFFAOYSA-N 269.363 4.599 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C 1206637020 UOMVPFJTXRFKFE-TWMKSMIVSA-N 293.495 4.693 30 10 CJEE N#Cc1ccc(Nc2ccc3cnccc3c2)cc1Cl 1210047111 KZBOYUOKKVTUIE-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCC1(C(=O)N[C@H](C)CC2CCCCC2)CCCC1 1270677077 QVVIFEKDZPNYLK-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=C(C)CCC(=O)Nc1cc(C(C)(C)C)cc2cccnc12 1287576035 LIJCQDZHRHZPHZ-UHFFFAOYSA-N 296.414 4.827 30 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NOBIJFZEACYYHZ-FVQHAEBGSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)c1ccccc1 1519375106 OMAXHJIFIHZCIF-AEFFLSMTSA-N 287.447 4.882 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)/C=C(\C)C(C)(C)C 1521557193 VECLDELGGCLGER-FYWRMAATSA-N 277.452 4.574 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2s1 1539319110 IFLZTQMMPOSSPP-OAHLLOKOSA-N 299.439 4.781 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 1560461283 HLEYBPCFOQWNQY-XIVBQZFQSA-N 287.422 4.796 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC[C@@H](CCC(C)C)C1 1560543269 LUEIQPAIVTVQEE-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C#CCC1(NCc2cccc(Oc3ccccc3)c2)CCC1 1560598942 VBKIJAIIFRVQPT-UHFFFAOYSA-N 291.394 4.515 30 10 CJEE C=CCC1(C(=O)N2CCC(C)(C)c3ccccc32)CCCC1 1596019130 TWFOSCBXEBWFQN-UHFFFAOYSA-N 297.442 4.837 30 10 CJEE C=CC[C@H](CC)Nc1ccc(C(F)(F)F)c(Cl)n1 1612370892 NZNXFQRLQWXQOD-QMMMGPOBSA-N 278.705 4.520 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccccc1C(C)(C)CC 1618693169 RSTVEUGVZGDQGW-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE 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251.458 4.783 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 1685868604 BEQXEWDRXGNJBW-JYJNAYRXSA-N 294.483 4.587 30 10 CJEE CC(C)(C)C1(C[C@@]2(C#N)CCOCC2(C)C)CCC1 1876743572 PPFYRAMGWYNIJU-QGZVFWFLSA-N 263.425 4.549 30 10 CJEE CCCC1CCC(C#N)(C[C@]2(C)CCCOC2)CC1 1878001945 RSPFQORGDBJRRP-CGZBRXJRSA-N 263.425 4.693 30 10 CJEE CC#CCCCSc1cccc([C@H](C)NCCC)c1 1879642816 CEAKXTSLMCMOPI-HNNXBMFYSA-N 275.461 4.643 30 10 CJEE CC#CCCC[C@]1(CNC(C)C)CCCC(C)(C)C1 1879651652 VFQAYGOXIMJWKA-SFHVURJKSA-N 263.469 4.765 30 10 CJEE CCCCCCCCN(C)C[C@]1(C)C[C@@H]1C(F)(F)F 1883319289 HRQXQFZPBUEEHT-KBPBESRZSA-N 279.390 4.867 30 10 CJEE CCCCCCCCN1CCC[C@](F)(C(F)(F)F)C1 1883320726 VTYSNGIJFXHZGU-CYBMUJFWSA-N 283.353 4.713 30 10 CJEE C=CC[C@@H](C)SCc1cscc1Br 1886247168 UEPNSVPZLSNLDN-MRVPVSSYSA-N 277.252 4.708 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)c1csc(C)c1)C1CC1 1887476210 RHUBKBNFGDKLTK-NVXWUHKLSA-N 275.461 4.537 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1cc(C)ccc1Cl 1888681894 JBUAYLKETPZMFW-KRWDZBQOSA-N 271.791 4.622 30 10 CJEE C=CC[C@@H](C)SCc1ccc(Br)cc1C#N 1899417988 KALNMPMPLAMMEI-SNVBAGLBSA-N 296.233 4.519 30 10 CJEE CCCCCCCC[C@H](NN)C1CC2(CCCCC2)C1 1912628215 IQUONZOBODIZBN-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE C=CC[C@H](C)O[C@@H]1CCCCCCCCCC[C@@H]1NC 1913337790 GOUULBSPVYKALB-OKZBNKHCSA-N 281.484 4.839 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)c1cccc(OC)c1 1917877840 XVZMVPBUDILICQ-HXUWFJFHSA-N 297.464 4.851 30 10 CJEE C=C([C@H](NCC)c1coc2ccccc12)[Si](C)(C)C 1922974026 OLDXEYJXEWEZAP-INIZCTEOSA-N 273.452 4.517 30 10 CJEE Cc1cc(F)c(C2=CC(=O)CC(C)(C)C2)cc1Cl 1925851741 NNHPDZVIUFVXIL-UHFFFAOYSA-N 266.743 4.560 30 10 CJEE C=C(C)CCNc1ccc(Br)c(Cl)c1F 1929578615 LQKXEHTUWCKUOP-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE CCCCCCC[C@@H]1Nc2cc(Br)ccc2O1 1940896360 RZDXBHXITZIJNI-CQSZACIVSA-N 298.224 4.940 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CC[C@@H](C)S1 1946330736 CROQKRUQLGAYAL-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE CCCCCCC[C@@H](NN)c1scc(Cl)c1Cl 1947145634 CTEAGDHPYHBVHO-SNVBAGLBSA-N 295.279 4.920 30 10 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4.676 30 10 CJEE CC#CCCCC[C@H](NC)c1cccc(C(F)(F)F)c1 2196174242 LXDQNFLTEQFCRY-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CCCCCCCN(C)c1cccc(C(F)(F)F)c1N 2196719374 DGPOXFBOUQGMIU-UHFFFAOYSA-N 288.357 4.694 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1CCC[C@H](C)C1 2197143269 ZDNVPPVRYQGATJ-IPELMVKDSA-N 271.448 4.894 30 10 CJEE N#Cc1ccc(Nc2ccccc2C2CCC2)cc1F 2197923682 RWXWXCJTVZFUJC-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE O=C(C=C1CCC1)c1cccc(Oc2ccccc2)c1 2200685533 IEHPHNPNDHYQAB-UHFFFAOYSA-N 264.324 4.772 30 10 CJEE Cc1cc(C)c(C)c(CC2(C#N)CCC(F)(F)CC2)c1 2203102663 GACVQQDDGGVRNB-UHFFFAOYSA-N 277.358 4.874 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@H]1CCCC2(CC2)C1 2203788311 XGGBODZFMKSHBW-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CC2(C1)CC1(CCC1)C2 2204098900 YLVWSYWBSMPJFC-RDJZCZTQSA-N 273.464 4.824 30 10 CJEE C[C@@H](CCS)CCN(C)CC1CC2(C1)CC1(CCC1)C2 2204186257 CCXGNBYTLTZYSU-OAHLLOKOSA-N 295.536 4.625 30 10 CJEE C=CCCCCCC[C@H](CCc1cccnc1)NCC 2206893370 ZKHXMNOLCCNVMY-GOSISDBHSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCC[C@@H](P(C)(C)=O)C1 2206896979 JULDJPHQBKBOBR-IAGOWNOFSA-N 299.439 4.989 30 10 CJEE C=CCCCCCCC(=O)c1cccc(C(C)(F)F)n1 2206899114 KIYKXMAECLFWFJ-UHFFFAOYSA-N 281.346 4.903 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCCOCC2)CC1 2206967959 MHQWFVOGDITVLV-HJOIGYKYSA-N 277.452 4.939 30 10 CJEE C=CCCCCCCCCN(C)CC[C@H]1CC[C@H]1OC 2207382595 UBBHICVSLFMWLH-QZTJIDSGSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1C[C@H](C)O[C@H]1C 2207382990 XZQKJRZHELTCBE-OKZBNKHCSA-N 281.484 4.791 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@H]1COCC 2207385825 QTUVNLONNAFACJ-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC(=O)C[C@@H](N)C1CCCC1 2207390680 JBJSZMGKJZCQKK-GOSISDBHSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCC[C@H](O)CCN1CCCCC1 2207403294 HOPGMCCJLUYUMC-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC[C@]1(C(=O)OC)CCC=CO1 2207427718 PHAQXNCJWSQWLM-QGZVFWFLSA-N 280.408 4.529 30 10 CJEE C=CCCCCCCCCCNCC[C@@H]1CC[C@@H](C)O1 2207448072 KLILYOONCZEUHW-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC1CCC=CCC1 2207457522 PIHKISDPAOEDMA-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE CCCOCCSCC(CS)(CCC)CCC 2216237025 RKTFDSWSIXXVSN-UHFFFAOYSA-N 278.527 4.663 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CC[C@@H]1C(F)(F)F 2217719735 NBJTVSQWZLRIMF-FVCCEPFGSA-N 259.315 4.685 30 10 CJEE C=CCCCCCCCC1(C(=O)OC)CCCC1 2220088894 XAHZCGXPPRFJRC-UHFFFAOYSA-N 252.398 4.637 30 10 CJEE C=CCCCCCCC[C@H](O)C1C[C@H]2CC[C@@H]2C1 2220096303 DUUJLIVOKRNHEG-INMHGKMJSA-N 250.426 4.700 30 10 CJEE CC(C)(C)C#CC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2222029314 GNVCBHIZPQUCGW-OAHLLOKOSA-N 284.230 4.607 30 10 CJEE C=CCC(C)(C)CNCCCCCCCC1CC1 2223155204 QAMPZUUOLYETPW-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(F)c(Cl)c1 2225433038 DMDAWJQDQSYLED-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1sc(C)cc1C 2225824762 YKBPYMKVPJBTRQ-AWEZNQCLSA-N 282.449 4.659 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CC12CC(F)(F)C2 2227271307 KTWLUMKIESNBRN-KGLIPLIRSA-N 271.395 4.666 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1cccc(F)c1 2227276319 QRICBWKQCUPBKH-KRWDZBQOSA-N 263.400 4.612 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)c1cccnc1 2227290289 FMNZQAMFFLWQAZ-MRXNPFEDSA-N 260.425 4.601 30 10 CJEE CCCCCCCCCOCC[C@@H]1CCC[C@@H](C)N1 2231013869 IZYWLQNKWNTNFM-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](C)Oc1c(C)sc(CN[C@H](C)CC)c1C 2231435620 WVGAGNILFQJFKZ-VXGBXAGGSA-N 281.465 4.596 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@@H]1CCCC(F)(F)C1 2231483530 MCHIARITAYRLOF-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2231489520 FJLWTDYJIPYSCJ-DZVNLGKHSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@](C)(OCCC(C)C)C(=O)O 2231904807 KGZKZOLDLRXECR-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@](C)(C#N)NC1CCCCC1 2231906616 LQWMJEZZEZVYPW-QGZVFWFLSA-N 264.457 4.942 30 10 CJEE C=CCCCCO[C@@H]1CC2(CCCCCC2)CC[C@@H]1N 2234026588 LMYHCRREWANJKK-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cccc(N)c1 2235519747 SXZRNNZZEMEHTP-SFHVURJKSA-N 274.452 4.836 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@H](C)O[C@H](C)C1 2235531548 ACUUHPZQEDXOAZ-VSZNYVQBSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCC[C@@H](NN)C(F)(F)C1CCCC1 2235540451 XFOJQBDARUNCEA-OAHLLOKOSA-N 288.426 4.561 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@]1(C)CC=C(C)CC1 2237327913 SRCZQWBFMYGAQY-IEBWSBKVSA-N 275.480 4.931 30 10 CJEE Cc1cccc(N[C@@H]2CCC[C@H](C(C)(C)C)C2)c1C#N 2238160687 AQCWCSGCTSSHLH-LSDHHAIUSA-N 270.420 4.884 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@@H](C(C)(C)C)C2)c1 2238174904 RMOGUGCIJCZZMN-CRAIPNDOSA-N 270.420 4.906 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](N)c1cc(C)cc(Cl)c1 2239482598 JNPWZPZJQPTLJI-IAGOWNOFSA-N 295.854 4.800 30 10 CJEE CCCCCCCCCCO[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C 2239489427 IPFWHBPPQFCWMI-XWTMOSNGSA-N 283.500 4.906 30 10 CJEE CCCCCCCCCCO[C@H]([C@@H](N)CC)C(F)(F)F 2239490060 NLAJBQCDVPHZOE-UONOGXRCSA-N 297.405 4.812 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CN[C@@H](C)CC)CC(C)C 2239490098 NSUVCEPYLUNKCL-RCCFBDPRSA-N 283.500 4.941 30 10 CJEE CCCCCCCCCCOC[C@H](CC1CC1)NCC 2239492400 JUICDVGKAILDNB-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnc(OCC)s1 2239814480 ROXCAQHPJJYKIF-AWEZNQCLSA-N 296.480 4.719 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2240203485 PVGRHLJQXHFRJB-MFWIUYSUSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccnn1C1CCC1 2240627622 IQMVBFVKTRCFGM-QGZVFWFLSA-N 278.440 4.566 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CCCC(F)(F)F 2240637809 MSZSTOYWRIBZLF-AWEZNQCLSA-N 296.373 4.790 30 10 CJEE SCCCCCCCN(Cc1ccccc1)CC1CC1 2242389395 WVOWDMBJARIJQW-UHFFFAOYSA-N 291.504 4.779 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2244386494 JQWNRNHRBMQSGG-AMIZOPFISA-N 258.192 4.514 30 10 CJEE CCCC[C@@H](CC)Oc1ccc(Br)cc1C#N 2249874713 RKABIIYYDZKFRJ-CYBMUJFWSA-N 296.208 4.668 30 10 CJEE C=CCCCSc1ccc(CNCCC)cc1C 2259046084 QRHRALQLGWYXTL-UHFFFAOYSA-N 263.450 4.553 30 10 CJEE C=CCCCCCCCSC[C@H](CC(C)C)NC 2259050479 BTGFVJRZUMTEAS-INIZCTEOSA-N 271.514 4.880 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1CCCCS1 2259196128 DWYXPZSBXRZBKZ-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1cc(Cl)cs1 2261478113 FVPNWBNVHCYHJP-AWEZNQCLSA-N 288.840 4.696 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCC2)c(Cl)cc1Cl 2263175029 VENCZSRTBMPCFD-NSHDSACASA-N 283.202 4.654 30 10 CJEE CCCCCCCCC[C@](C)(N)CC[C@H](C)OC 2263660026 KZKYBDKVNWVVDS-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE Cc1cc(Cl)c(C)c(CC=CC#CC(C)(C)C)c1O 2268729542 FOTTWFCTMRXWIK-UHFFFAOYSA-N 276.807 4.811 30 10 CJEE CC(C)C[C@@H](C(C)C)[C@H](O)CC=CC#CC(C)(C)C 2268829635 IKCSNFQSRGFMAE-DLBZAZTESA-N 264.453 4.661 30 10 CJEE CCCC[C@](CC)(CC=CC#CC(C)(C)C)C(=O)O 2268831504 LOROYNCOXLBVFF-QGZVFWFLSA-N 264.409 4.653 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC(F)(F)[C@H]1N 2271594447 NNDQDJJXINCDRN-KBPBESRZSA-N 291.451 4.761 30 10 CJEE C=C(C)CCCC[C@H](NC)C1CC2(C1)CC(F)(F)C2 2271835410 SYTDHXGXCYPQLM-AWEZNQCLSA-N 271.395 4.536 30 10 CJEE CCCN[C@H]1CCCCC[C@H]1C#CC1CCCCC1 2273991330 DRCUWFZTPZACCN-ROUUACIJSA-N 261.453 4.519 30 10 CJEE CCC[C@H]1CCC[C@@H](NCC#CC2CCCC2)CC1 2274111830 BOVBIRVIQQYLPW-FUHWJXTLSA-N 261.453 4.519 30 10 CJEE C=C(C)C[C@](C)(CCCCCCC)OCCC(=O)O 2275169948 RPJFVYOJUUGOQR-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1sc(C)cc1C 2277005034 VBOIBIJOXNSZMR-OAHLLOKOSA-N 281.465 4.518 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C1CC1)OCCCN 2277028608 MGRDWERVDOHNCL-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCC=C1CCN[C@@H](C(F)(F)F)C1 2277376919 HXPHIRWKTLUMNJ-CQSZACIVSA-N 275.358 4.754 30 10 CJEE CN(CCCCCCCS)CC1CC(CC2CC2)C1 2277507450 LQVOGNKWDNUOSV-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CC1(C[C@H](NC)c2ccc(C(F)(F)F)s2)CCC1 2277667899 ICQRGWMLLHKAPB-JTQLQIEISA-N 289.366 4.774 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(C)cn1 2278157069 UJMWGMYLLHUDFA-KRWDZBQOSA-N 263.425 4.738 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2(C)CC(F)(F)C2)C1 2278187198 BRWDESFDTMHKHW-UHFFFAOYSA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@H](O)C(=O)CC1CC2(CCCC2)C1 2280014035 SVYHJCMQHPSVNO-INIZCTEOSA-N 280.452 4.637 30 10 CJEE Cc1cc(NCc2ccc(F)c(Cl)c2)cc(C)c1C#N 2280580898 UIVZKMDBCPNOKM-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@@H]1CCC1(C)C 2280951125 WPOVVTRGAWZRIY-ULQDDVLXSA-N 283.500 4.642 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](N)CC)c(C)c1 2282772354 BNAFRQNAXOXYED-KRWDZBQOSA-N 277.452 4.624 30 10 CJEE CC(C)(C)C#CC=CCOc1ccc(C(C)(C)C)cc1 2284081771 PBPAACBMNMAJBS-UHFFFAOYSA-N 270.416 4.969 30 10 CJEE CCC[C@]1(C)CSC(=Nc2cccc(C(C)(C)C)c2)N1 2285742066 FTEUDAIBVFMXGJ-QGZVFWFLSA-N 290.476 4.867 30 10 CJEE CCCCC#CCOc1cc(C)c(Cl)cc1[C@@H](C)NC 2286439611 AGSDUNZIBKZDRG-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=CCCCCCCCSCCOc1ccc(N)cc1 2287097539 XCAOBOIGHZCIFM-UHFFFAOYSA-N 293.476 4.907 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(Cl)c(OC)c(OC)c1 2287401971 QQDYNGLNURMEOG-AWEZNQCLSA-N 298.810 4.527 30 10 CJEE CC(C)CCC[C@@H](C)CCN1CCC(CCC#N)CC1 2287963417 DVCXHDAFWYQIBW-QGZVFWFLSA-N 278.484 4.855 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cccc(C)c1Cl 2289684691 PIDWJXIVDJMRHP-KRWDZBQOSA-N 289.850 4.883 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(F)cc1Cl 2289853060 WWLGMYHYVIRFDP-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE C(#CC1CCCC1)CN1CCCC[C@H]1C1CCCCC1 2289859406 KMPDIDTXRUOZKB-IBGZPJMESA-N 273.464 4.615 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CCC[C@H]1C(C)C 2289867448 LNKOBQYQZHKXQQ-GBESFXJTSA-N 275.480 4.621 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1CC(CC(C)(C)C)C1 2289969820 OTNFRYYJVHPJGE-ABHNRTSZSA-N 275.480 4.621 30 10 CJEE C=C(C)CCO[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2290211024 VDSLXJVWJJFDSV-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE CCCCCCCC[C@@](C)(OCCC(=O)O)C(C)(F)F 2290637461 HYYWAUPBELKIEZ-CQSZACIVSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCC=C1CC 2290875666 AHCLKKGSYPQJHK-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=C(C)CC[C@@](C)(CCCCCCC)OCCC(=O)O 2291426608 SEFMIBZCCSUQBM-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@@H](OCC(=O)O)c1csc(C)c1C 2291733724 SDPDLEKWOKZMDN-OAHLLOKOSA-N 296.432 4.644 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCC[C@H](CC)C1 2291746535 AYSDOFQNKDCDLY-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@](C)(CC1CCC1)OCCN 2292641965 QEBBFDSSKRICPV-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](CCCC[C@@H]1C[C@H]1C)OCCN 2292744993 ATSPOWZIAYWSSN-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@](CCC(C)C)(OCCCN)C1CC1 2293269634 UAHMTBJOIFRIQV-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CC(C)(C)CC[C@H]1C 2293292186 NLWVWLHOLIQRCM-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@H]1CC1(F)F 2293462995 JBNWBKUJDVHZFH-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1(C)CC=CC1 2293706888 WXDMEPNKZUDHTD-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCCC12CC2 2293881739 MBPXVORHBXOGKK-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@H]1CCC[C@@H](CC)C1 2293884232 IYVGPNWIZUDOBU-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE CCCCCCCCn1c(CN)cc2cc(C)ccc21 2295321578 ZTDCUQIYZFPGBR-UHFFFAOYSA-N 272.436 4.769 30 10 CJEE CCCCCCCCCCNC(=O)C=Cc1ccco1 2295436290 ZIJUCRXRMJFJTR-UHFFFAOYSA-N 277.408 4.550 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccnc(SC)n1 2295602107 XGVCQWDAUNBCPK-INIZCTEOSA-N 295.496 4.513 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nccn1CCC 2295604745 ZQUBGVLOVDWXNR-KRWDZBQOSA-N 280.456 4.641 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@@H](CS)CC(C)C)C1 2308053351 JYODIPNSNGLRIX-ILXRZTDVSA-N 258.471 4.564 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@]12C[C@H](C)[C@H]1C2 2312118327 ZEMHPUOUXXCYOK-HZMVEIRTSA-N 250.426 4.700 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1CC[C@@H]2C[C@@H]21 2312621226 YYRCSDHYYWBSPH-WCXIOVBPSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)[C@](N)(CC)c1cccc(Cl)c1 2316746826 LIXFEWSQMDYCPV-MRXNPFEDSA-N 263.812 4.672 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1CCCC2(CC2)C1 2321237350 LXIOOBNQGZKZEC-PMPSAXMXSA-N 250.426 4.700 30 10 CJEE CCCOc1ccccc1C=CC(=O)c1cc(C)ccc1C 2322614473 JBGRFXHSTBBQKB-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333961135 XZPRNTZLSAXTKF-QQCJEOGWSA-N 263.469 4.760 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1CCC(F)(F)CC1(C)C 2337076159 OSTREOSNNMNHLY-MJBXVCDLSA-N 271.395 4.535 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1nc(C)cc2sccc12 2337097028 HBJCDYBTTXKWDO-JSGCOSHPSA-N 272.417 4.761 30 10 CJEE C=CCC(CC=C)Nc1ccc(C(F)(F)F)c(F)c1 2338827698 CBWCTQKEQLFJSJ-UHFFFAOYSA-N 273.273 4.777 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(F)c(C)c1Cl)NCC 2339321412 WWCIQIZQYJDVPK-SMDDNHRTSA-N 283.818 4.520 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@]1(C)CC=CCO1 2339748990 QTRQSNCWDSLQIA-DLBZAZTESA-N 267.457 4.580 30 10 CJEE CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(C)c1Cl 2340157472 YNOFZBKSJIXOIZ-UHFFFAOYSA-N 299.201 4.570 30 10 CJEE CC#CCCC[C@@H](CCC1=CCCCC1)NCCC 2340213264 YYGNTHFKGXGYNJ-SFHVURJKSA-N 261.453 4.829 30 10 CJEE CCC[C@@H](OCC1(CS)CC(F)C1)c1ccccc1 2340546892 SQIPTPDKISYDPY-HWOWSKLDSA-N 282.424 4.593 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc(C2CCC2)cc1 2341881923 AKCPICAKNVJUOZ-MSOLQXFVSA-N 255.405 4.571 30 10 CJEE CC(C)(C#N)CCCCOCC[C@H]1CC[C@H]1C1CC1 2342381425 GGZXZRWENJRRIY-CVEARBPZSA-N 263.425 4.549 30 10 CJEE CC(C)(C#N)CCCCOC[C@H]1CC[C@H]1C(C)(C)C 2343186133 KAFNNODYBOOZML-HUUCEWRRSA-N 265.441 4.795 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)c1cccc(C2CCC2)c1 2343780472 FOVZIWPIEOJYJC-ZWKOTPCHSA-N 255.405 4.571 30 10 CJEE Cc1c(Cl)ccc([C@@]2(C)CC[C@](C)(CC#N)O2)c1Cl 2353222304 LPFIEWPNLJJXIO-HUUCEWRRSA-N 298.213 5.000 30 10 CJEE CC(C)(C#N)CCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354884652 PQKOAWDKOOIWCA-BBWFWOEESA-N 276.468 4.512 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1COC 2357014412 ODUYFHPVSPHINR-OKZBNKHCSA-N 284.484 4.941 30 10 CJEE C=CCC(CC=C)Sc1ccc([N+](=O)[O-])c(NCC)c1 2360204544 ZFZJLNWJLGVJSA-UHFFFAOYSA-N 292.404 4.640 30 10 CJEE C=CC[C@H](C)Sc1nc(CCC)nc(NCCC)c1C 2360208475 PDBLFMYASKLGDS-LBPRGKRZSA-N 293.480 4.616 30 10 CJEE CCCCCCC(=O)Nc1ccc(C2(C#N)CCCC2)cc1 20977656 LBYRHVMSPSTVTE-UHFFFAOYSA-N 298.430 4.931 30 10 CJEE N#Cc1ccccc1NCCc1ccc(Cl)cc1Cl 21012190 OBGZIAJOZIGSJR-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 37935795 HKIWYGGRFLVEGX-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)cc1C 37937389 VLUOWIXGSJRXQE-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2nccs2)C1 40676872 HZZBWQWFGZNXFP-FRRDWIJNSA-N 294.489 4.980 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(OC(F)F)cc1 48775401 YEDNGFSXGBGFHM-UHFFFAOYSA-N 294.688 4.557 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CC[C@@H]2CCCC[C@@H]2C1 59382738 PNYXCHUKSWMTIT-OTWHNJEPSA-N 294.527 4.576 30 10 CJEE Cc1ccc(Sc2cccc(Cl)c2C#N)cc1 70138398 BKYUOEMDWDMRCS-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCC[C@@](C)(CC)C(=O)[C@H](C#N)c1ccccn1 76824495 RDFRJGSASHFKGQ-CRAIPNDOSA-N 286.419 4.645 30 10 CJEE CCCCCCn1cc(C(=O)CC#N)c2cccc(C)c21 84874289 JUVFRDLTESOQIC-UHFFFAOYSA-N 282.387 4.626 30 10 CJEE SCC1(CSc2ccccc2)CCCCC1 87096365 DUDVGXNRJUGELH-UHFFFAOYSA-N 252.448 4.659 30 10 CJEE SCC1(CSC2CCCCC2)CCCCC1 87097700 DMVCWQRJAYWYNR-UHFFFAOYSA-N 258.496 4.933 30 10 CJEE CC1(C)CCC(C#N)(Cc2cccc(F)c2F)CC1 87940035 IXNMWAHSSODEDV-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE CCC(CC)N(CC(C)C)CC(CC)(CC)CS 94582116 CDWBYBNYTJJWLO-UHFFFAOYSA-N 273.530 4.869 30 10 CJEE CCC[C@H](CS)COc1ccccc1[C@H](C)CC 94583187 OTPPNHPCTUPANY-KGLIPLIRSA-N 266.450 4.925 30 10 CJEE Cc1ccc(C)c(SC[C@H](CS)C(C)(C)C)c1 94588762 MYKOQHHIYHQENT-ZDUSSCGKSA-N 268.491 4.988 30 10 CJEE C=C(CC)C[C@@H](CSc1ccc(C)cc1)NCCC 97333187 TWUBFKSORWDJTG-INIZCTEOSA-N 277.477 4.812 30 10 CJEE CC(C)[C@@H]1CCN(CCCCCCCCCS)C1 97799577 HTIKIEXWDZCTGR-MRXNPFEDSA-N 271.514 4.625 30 10 CJEE CCCCCCCOc1cccc(NCC2CC2)c1 100038850 ACYXIPRTEUYXCE-UHFFFAOYSA-N 261.409 4.858 30 10 CJEE CCCCCCCCC[C@H](N)c1ccccc1OC 103944638 UTJXQTVLWABXQO-INIZCTEOSA-N 263.425 4.836 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCCCCC)cc1 107575673 XAMPNXGPBRMJJE-INIZCTEOSA-N 258.405 4.848 30 10 CJEE CCCCCCCOC1(CNCCC)CCCCC1 110067961 MNJSHVBJBGHKCU-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)N1CCCCCC1 118150044 GAFFKXFHKVXWLY-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](C)CCOC 128330076 OTQRCURXLSDVNX-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](OC)C1CC1 129318836 VINALVRHSDNWPM-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCN1[C@H]2CCC[C@H]1CC(NC)C2 129463253 NWNSGNHCZFMBET-OALUTQOASA-N 294.527 4.732 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H](OC)C1CC1 129529717 MOFXXOYHEOXUGL-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCCO[C@@H]1CCC[C@@](C#N)(NC(C)C)C1 129660507 APPQANXAMSAKET-QZTJIDSGSA-N 294.483 4.566 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](OCC)C1CC1 130313035 GPSVUINHEAVTOB-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCNCC[C@H](C)SC 130698841 ARVHFNIROBTFFT-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE N#C[C@@H](c1ccccc1)c1ccnc2cc(Cl)ccc12 139276789 NVQZBCUEMCUBRO-INIZCTEOSA-N 278.742 4.544 30 10 CJEE CCCCCCCCNCc1ccc([N+](=O)[O-])cc1Cl 159295931 XZKQHUYALSFBQY-UHFFFAOYSA-N 298.814 4.698 30 10 CJEE CC(C)(C)c1ccccc1Nc1ccc(C#N)c(F)c1 160509096 AEWXLKRAJXFVLA-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE N#Cc1oc2ccccc2c1Oc1cc(Cl)ccc1C=O 161401958 YVXQORXQQKKAMS-UHFFFAOYSA-N 297.697 4.563 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)CC1 166300843 XUSZWZFDASGILE-VXKCQOAXSA-N 291.460 4.799 30 10 CJEE CCCCc1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1 199493472 WEELYSMWBKIVEQ-YPKPFQOOSA-N 286.224 4.674 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 222224612 CHRSUTGLXDGBRZ-GDAAHCPNSA-N 284.447 4.583 30 10 CJEE CCCCCCC[C@@H](C)NCCCCOC(C)C 224962111 NNSHITQTRSYUGH-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CC(C)(C)c1ccccc1Nc1cc(F)cc(C#N)c1 227619507 FRMVWMSOWSYIBX-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE C=CCC[C@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 228713314 WNKIKHJOZZJUSN-NNCLKIPCSA-N 262.437 4.700 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc2ncccc12 228906012 NXJGVOSDPVZHON-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE CCCCCCCCCCCCN[C@@H](CCO)C(C)C 231078091 PZYUNRXFKXBUCI-SFHVURJKSA-N 285.516 4.904 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1ccc(C#N)cc1Cl)C2 232798888 DTNCSJWICOWUDF-NUTKFTJISA-N 288.822 4.838 30 10 CJEE CCC1(CNc2ccc(C(F)(F)F)cc2C#N)CCC1 232939732 JXJZRUFNSMNFFS-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@@H]1CNCCC 232962021 NARKKBBSNKVZHP-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1ccc(F)cc1 232972697 MAYKDWIXGKMCNH-KRWDZBQOSA-N 281.415 4.739 30 10 CJEE CC[C@@H](C)CN(CC)c1ccc(C#N)c2ccccc12 233839043 WHNRRRXMGMBMFJ-CQSZACIVSA-N 266.388 4.584 30 10 CJEE C=C[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl 235549381 KDFXBKQWGVTMEB-LURJTMIESA-N 250.556 4.633 30 10 CJEE Cc1cc(Cl)ccc1[C@H](O)C1(C#N)CCC(C)(C)CC1 235765061 KIZNBFUGRJTMCT-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(C(F)(F)F)c1 236316020 KPLSSWZRGKGMOU-CQSZACIVSA-N 271.326 4.842 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](C)[C@H]1CN 250837527 VUHLGQXOEGZCNT-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CC#CCC[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 253041601 LMLAHNYNICFAMI-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE Cc1ccc(C(=O)c2ccccc2N=Cc2ccccc2)cc1 254379553 DPPGWAZUVKVBSQ-UHFFFAOYSA-N 299.373 4.977 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@H](C)S1 300170987 PUHLMBDITGCSKX-AJNGGQMLSA-N 289.554 4.690 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(F)ccc1Cl 311214161 MKPPSZYDGBTYGK-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CCCC1CCC(C=O)([C@@H]2CCOC3(CCC3)C2)CC1 316638668 AREVJKWELBQTTA-AQFXKWCLSA-N 278.436 4.511 30 10 CJEE O=CC1(Cc2cccc(F)c2Cl)CCCCCC1 316882024 ZXMXFTPRCGFXLU-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317684241 IDHDWSBBSVBMRY-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccc(F)cc1Cl 320226144 UKJMCOXNAOFVDL-KWBADKCTSA-N 253.748 4.768 30 10 CJEE C#C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccccc1 378722492 RJEKKCRRNSKYIY-CQSZACIVSA-N 276.166 4.780 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(Cl)s1 387212576 RORQFOIYSMNSJX-NSHDSACASA-N 271.857 4.524 30 10 CJEE CC1(C)CCC(C#N)([C@H]2CC(C)(C)OC2(C)C)CC1 388670770 PXQDLHQBITVKST-ZDUSSCGKSA-N 263.425 4.690 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)cc1C 388910893 OMGAABNOKTYWGP-INIZCTEOSA-N 277.839 4.739 30 10 CJEE CC(C)(C)[C@@H]1CSC(=Nc2ccc3ccccc3c2)N1 393995774 DOTCZMKVXWRUAX-HNNXBMFYSA-N 284.428 4.578 30 10 CJEE N#CCCCCCSc1cccc(Br)c1 395345361 GNGUMDWGVRWUDF-UHFFFAOYSA-N 284.222 4.625 30 10 CJEE N#CCc1cc2cc(Cl)cc(C(F)F)c2s1 396191665 POQAUESJLNQSEM-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCC[C@H](CS)COc1cc(C(F)(F)F)ccc1F 396362403 MDSNVIACLLQPTA-VIFPVBQESA-N 296.329 4.569 30 10 CJEE CSc1ccc(NC[C@@H](C#N)C2CCCCC2)cc1 397158379 SRCNEHOLXBDHKD-CQSZACIVSA-N 274.433 4.540 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 464539747 DZEDEBQWKHHWTG-WFASDCNBSA-N 279.811 4.510 30 10 CJEE Cc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 575381280 SIKNFPFQCYJBAT-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C=C(C)C[C@H](C)c1nc(Cc2c(C)[nH]c3ccccc23)no1 685286032 DJKYQBZTCIKTLI-LBPRGKRZSA-N 295.386 4.520 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(F)c(F)c1 686698552 ZWSZTDGABRQARB-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE CCCC1(CNc2cc(C#N)ccc2Cl)CCC1 687523932 QODDKKOLDDNWRX-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1ccc(C#N)cc1Cl 691055404 MQHHSKYCHHFRNP-WFASDCNBSA-N 276.811 4.617 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)Nc1ccccc1 691083582 VGPCYGZGEXJHGN-IRXDYDNUSA-N 256.393 4.597 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1CC2CCC1CC2 691673975 NBXZOZRJDUFCCN-FPQWYMTMSA-N 263.469 4.641 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CSc2ccccc21 692251467 IXQJYCYQEGHXOF-VYDXJSESSA-N 287.472 4.600 30 10 CJEE CC(C)C1CCC(C=O)(CCOCC2CCCC2)CC1 693058182 YWDVDKHRZYOYRI-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE CCCCCCC[C@H](C)Nc1cncc(Cl)c1 709198242 UEMCDISDQKFTLX-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNCCC 710642599 UAJYJCIUKRWHLX-BZUAXINKSA-N 271.876 4.961 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@@H](NCC)C1 712830452 SUOUQJIPLJLFTO-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)[C@]1(CNCC(C)C)CCCC[C@H]1C 715789065 PBVFDZTZQFFDMT-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE C=CC[C@@H](C)[C@H](CSc1ccccc1Cl)NCC 715795917 DTKKDTXFSIUMHX-OCCSQVGLSA-N 283.868 4.622 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CC[C@H]1OC 724210186 OZMLGZDRNIDSND-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H](C)O[C@H](C)C1)NCC 724515557 BGIJDYRKIGMNJW-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccoc2CC)CC1 724605557 NCUMOKOMVYNNQG-INIZCTEOSA-N 261.409 4.629 30 10 CJEE C=CCCCCCCN[C@@H](c1cccnc1)C(C)C 806168026 SXABRFQNPGMXNA-QGZVFWFLSA-N 260.425 4.505 30 10 CJEE C=CCCC[C@@H](Nc1nnc(C(F)F)o1)c1ccccc1 882918044 AYWDXUFZQCKYPL-GFCCVEGCSA-N 293.317 4.517 30 10 CJEE C=C1CCC(C(=O)NCc2ccc(C)c3ccccc23)CC1 1129891310 QLPATKJLDDQVDG-UHFFFAOYSA-N 293.410 4.511 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1 1130910046 SHFABMDDEZBZTP-FVQHAEBGSA-N 291.479 4.702 30 10 CJEE C=C(C)CCOc1ccc(-c2ccccc2)cc1C=O 1165613630 BPIBQKPNKGBHRX-UHFFFAOYSA-N 266.340 4.511 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1CCc2c(F)cccc21 1183863668 GDGMPIIVYPJUCF-DYVFJYSZSA-N 261.384 4.538 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(OC(F)F)c1 1196057220 PLHRBACKOGYUHJ-GOEBONIOSA-N 295.373 4.513 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(C(C)(C)C)cc1 1197923349 ITAQBZNWQSQKMY-UHFFFAOYSA-N 288.435 4.708 30 10 CJEE C=CC(C)(C)CCCNCc1cccc(C2CC2)c1 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4.896 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1c(F)cccc1Cl 37938261 DIKXEJKRWSXFEQ-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE CCOc1ccc(/C=N/c2c(C)cc(C)cc2C)cc1 59457186 MZPRQMVUVMHAEV-XDHOZWIPSA-N 267.372 4.761 30 10 CJEE N#CC[C@H](c1ccccc1)N1CCC2(CCCCC2)CC1 61819932 BKZLJLLVVTUZNH-GOSISDBHSA-N 282.431 4.688 30 10 CJEE Cc1cc(C)cc(Nc2c(C#N)cnc3ccc(F)cc23)c1 64438645 SWXAMSWXHFNMHR-UHFFFAOYSA-N 291.329 4.606 30 10 CJEE Cc1cc(C)cc(Nc2cccc(Cl)c2C#N)c1 70138305 KGOPLXSRRTYIGE-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC(C)(C)c1ccc(CCCNc2cccc(C#N)c2)cc1 76289521 PTBPRJBIKKKKNF-UHFFFAOYSA-N 292.426 4.900 30 10 CJEE Cc1sc(-c2ccc(Br)s2)cc1CC#N 77095886 MYSFKKXYAGXKNJ-UHFFFAOYSA-N 298.230 4.614 30 10 CJEE CC/C(C)=N/Nc1nc2c(C(F)(F)F)cccc2s1 78397637 CEYKXEANIVXMIU-REZTVBANSA-N 287.310 4.513 30 10 CJEE CCCCCCCN1CCC(c2ccccc2)CC1 79520426 DGZSTTSKXGUEDK-UHFFFAOYSA-N 259.437 4.836 30 10 CJEE CCc1nc(-c2ccc(Cl)c(Cl)c2)sc1CC#N 82424615 LAGLWQZABJARCK-UHFFFAOYSA-N 297.210 4.745 30 10 CJEE 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O=C1C=C(Cc2ccc(Cl)cc2Cl)CCCC1 230163082 HCURPLBZPRBOSM-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE C=CCCCCCC(=O)Cc1cccc(Br)c1 232480258 XFOUVCAOKCXPHK-UHFFFAOYSA-N 295.220 4.697 30 10 CJEE CCCCCCCCCCOc1ccccc1CCO 232936171 NYUFHMBEPPBSNR-UHFFFAOYSA-N 278.436 4.741 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)ccc2F)c(Cl)c1 236147924 ULPFSMCYGUEYEM-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#Cc1c(Cl)cccc1OCc1ccc(Cl)c(F)c1 236159808 SLPNQSOMSGIKRQ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)C1(CC=C)CCCCC1 238125935 ADPNZXJEXKLRNM-UHFFFAOYSA-N 279.424 4.689 30 10 CJEE CCCCCCCCN[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250819640 KOYZQCLAHXSWMK-LTIDMASMSA-N 251.458 4.761 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252423915 CNRRSCLRYUEOOV-HEHGZKQESA-N 288.822 4.982 30 10 CJEE CC#CC[C@H](NCCC)[C@@H](c1ccccc1)[C@H](C)CC 252907450 WLZHRMIEMXUUET-NZSAHSFTSA-N 271.448 4.598 30 10 CJEE N#Cc1ccc(OCCC2CCCCC2)cc1Cl 302295936 YLSAFDAVMYKSNE-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE CC(C)(C)CCCNc1cccc(Br)c1C#N 313459908 LJXDHCNUJNLCJF-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE O=C[C@]1(CCC2CCCCC2)CCc2ccccc2C1 316749768 QKBYEKALNOSNDU-LJQANCHMSA-N 270.416 4.721 30 10 CJEE CCC1CCC(C=O)(Cc2cccc(Cl)c2)CC1 317437997 IRNNRZGTRCALHW-UHFFFAOYSA-N 264.796 4.668 30 10 CJEE C#C[C@@H](Nc1c(Cl)cccc1Cl)c1ccccc1 328427990 USGJTAJBGBLGQF-CQSZACIVSA-N 276.166 4.780 30 10 CJEE Cc1cc([C@@]2(C#N)CCC[C@@H](C)C2)nc2ccccc12 380645745 XYTMNFXMCFCKRS-ACJLOTCBSA-N 264.372 4.515 30 10 CJEE C=CCCCCNCc1ccc(OCCC(C)C)cc1 383627094 HYARIVCRYPPEBR-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE C=CC[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 393462732 XLIYBQJUISJYFN-NSHDSACASA-N 277.717 4.586 30 10 CJEE C[C@H](/N=C1/N[C@@H](C(C)(C)C)CS1)c1ccccc1Cl 394007671 NOYYKXFQCFEBDV-GXFFZTMASA-N 296.867 4.508 30 10 CJEE C=CCCCCNCC1CCC(C(C)(C)C)CC1 394153029 MNSGMGWJLKDVCY-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCCC(=O)Cn1nc(C)cc1C 395283295 IZOQHYRDOAZSIF-UHFFFAOYSA-N 278.440 4.600 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCc1c(F)cccc1F 402877228 CRKIWKQGSYIJEZ-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE C[C@H]1CCN(CCCCC(C)(C)C#N)[C@@H](c2ccco2)C1 444647352 DOCMRISZALMGDZ-JKSUJKDBSA-N 288.435 4.773 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1)c1ccc(C#N)cc1F 512282528 VRUWQTVPWYTLTM-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#Cc1ccnc(-c2cc(Cl)cc(Cl)c2Cl)c1 514261170 CEGZHWOCTBZPCJ-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=CCC[C@H](CCC)NC1(c2nc(C)cs2)CCC1 539633205 PHNGMXFPXBDHHZ-AWEZNQCLSA-N 278.465 4.555 30 10 CJEE CC(C)(C)N1CC[C@H](c2ccc(C#N)cc2)c2ccccc21 616589494 HCBCBBFLNFVQKU-QGZVFWFLSA-N 290.410 4.699 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(Cl)cc1F 686693958 XKNRFNIOWKBFSR-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@H](NC)c1cccc2ccccc12 686700176 MWJAYNFYODYECJ-IBGZPJMESA-N 265.400 4.684 30 10 CJEE C#CCCCCC[C@]1(CNC2CC2)CC[C@H](CC)C1 686701333 QVBKNNQIWATIIQ-WMZOPIPTSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCCCC(=O)C12CC(CN1)C2 688818206 DHJCYRRFGLLZRY-UHFFFAOYSA-N 279.468 4.619 30 10 CJEE CCCCCCCCCC[C@@H](O)Cc1ccc(N)cc1 696517432 TWOZCDPSISKONP-GOSISDBHSA-N 277.452 4.703 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C(C)C)C3CCC3)C[C@@H](C1)C2 697271132 UTCWXEJOULCKMW-MPBLMAKGSA-N 261.453 4.536 30 10 CJEE C=CC(C)(C)CCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 701856758 YNFDHLQZYPVKBC-HRCADAONSA-N 251.458 4.639 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H](CC)CC1 704039020 UEKBMALLYNCPMO-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@H]1CC(C)(C)CC[C@H]1C 713079830 XGZXWGBZKIYDAM-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CC1CCC(C/N=C2/NC3(CCCCCC3)CS2)CC1 713212934 CWACSKJLKXCERW-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCCC(C)(C)O2)C1 714383604 SGFIDSQESNOONA-BFYDXBDKSA-N 266.425 4.510 30 10 CJEE C=CC[C@@H](C)[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 715702974 FPTAVJFMRXFWCU-UXJMZZSFSA-N 275.480 4.783 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)cc1 715770427 PXGQTOORSWDQTI-CYBMUJFWSA-N 263.450 4.631 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(F)cc1Cl 715800679 TWHHJORGRFODRU-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C=C1CCC(CC(=O)c2ccc(F)cc2Cl)CC1 724579981 RPHSFYPBJCXOLK-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC[C@H]3C[C@H]32)CC1 724591932 GCXXCWXCZHFFOF-MANSERQUSA-N 275.480 4.927 30 10 CJEE CC[C@H](/N=C1/N[C@@H](C2CCCC2)CCS1)C1CCCC1 725115712 OYZWCKPEDMEWRS-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(C2CC2)c1 821996903 MZRKQZWOXKHYIZ-IEBWSBKVSA-N 269.432 4.789 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](CCC)CC2CCCCC2)cc1 1134904138 LFWYCNBOUWAXDM-GOSISDBHSA-N 297.442 4.993 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1c1cccnc1 1168871967 FSUKQNBNAULBJV-GOSISDBHSA-N 274.452 4.969 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(Cl)cc2)c1 1178060521 SMGHVFVDRNEBNV-UHFFFAOYSA-N 287.790 4.907 30 10 CJEE C=CCOc1ccc(CNCc2ccccc2C(C)C)cc1 1178700363 OPIGTFVQMCTRRH-UHFFFAOYSA-N 295.426 4.665 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(CCC)c1 1179325248 QEPZPWBLNGHCLX-UHFFFAOYSA-N 259.437 4.721 30 10 CJEE C=CCCCC[C@@H](C)NC[C@H]1CCCC(C)(C)C1 1182387734 LQDNQSVRSKPRDF-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCN(CCc1ccccc1)[C@H](C)c1ccccc1F 1190699791 OHULDZFGLAMPMA-MRXNPFEDSA-N 283.390 4.617 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1ccccc1-c1ccccc1 1310076042 FGCKCTVTRWQOCS-INIZCTEOSA-N 292.382 4.536 30 10 CJEE C=C[C@H](CC(=O)N(C)c1cc(C)cc(C)c1)c1ccccc1 1356470577 BWCRDBULQBHZMW-QGZVFWFLSA-N 293.410 4.626 30 10 CJEE C=CCC1(C(=O)N2CCCC3(CCCCCC3)C2)CCC1 1361108860 IZZQZQDYPWUKCZ-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1C)c1ccccc1 1437638351 IYDNRMBVYJWWFS-OTWHNJEPSA-N 292.378 4.569 30 10 CJEE C=CCN(C(=O)[C@H](CC)C1CCC(C)CC1)C(C)(C)C 1437775676 IJJBOMNHENVPGD-UYSNPLJNSA-N 279.468 4.652 30 10 CJEE C=CC[C@@H](C)Sc1nnc(-c2cccc3ccccc23)o1 1458956826 WTDDCRAMAQWNFU-GFCCVEGCSA-N 296.395 4.947 30 10 CJEE C#CCCCCCCN(C)C/C(C)=C/c1ccccc1 1459941672 TUGYENXLDVTXGB-FBMGVBCBSA-N 269.432 4.605 30 10 CJEE C=CCCC1(CNC(=O)CCCc2ccccc2)CCCC1 1461525978 APJMKBLDYAHRCN-UHFFFAOYSA-N 299.458 4.652 30 10 CJEE C=CCCCCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 1473287647 OLKSVIWBTZTGBQ-GJZGRUSLSA-N 275.411 4.880 30 10 CJEE C=CCCCCCN[C@@H](C)c1cc(Cl)cc2c1OCC2 1473827443 ZIOGVHBPGMERNY-ZDUSSCGKSA-N 293.838 4.672 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)CCC2CCCCC2)CCCC1 1529375843 HGIDOZIFHDGOOS-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=C1CCC(C(=O)N[C@H](CCCCC)C(C)(C)C)CC1 1529388756 ZPQYVCLOWCOJPU-MRXNPFEDSA-N 279.468 4.844 30 10 CJEE C=CCCC1(CNC(=O)/C=C(/C)C(C)(C)C)CCCC1 1532340593 OKIAAMBCHOZPAS-SQFISAMPSA-N 277.452 4.622 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1586954861 YRGMGWYXQPOVLW-JKSUJKDBSA-N 299.458 4.694 30 10 CJEE CCC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 1617389257 BNNKMRLYEIUAKT-WMLDXEAASA-N 290.838 4.660 30 10 CJEE C=CCC1(CN[C@@H]2CCCC[C@H]2C2CC2)CCCC1 1621333388 LCTZYGDVSJBZQO-DLBZAZTESA-N 261.453 4.681 30 10 CJEE C=C[C@@H](C)ONC(=O)Nc1c(C(C)C)cccc1C(C)C 1622853754 CJHHLRQQCUIWNW-CYBMUJFWSA-N 290.407 4.561 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@@H](C)C(C)(C)C1)c1ccccc1 1624824456 OFIWVDDXAWNFKO-SJLPKXTDSA-N 299.458 4.631 30 10 CJEE 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C=C1CC(C[C@@H](NCC)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)C1 2356033138 CXZXSNAJPMQQLQ-INDMIFKZSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@]12C[C@@H](C)[C@H]1C2 2358323494 OCOLXDBRPJFYRY-TVFCKZIOSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)Oc1sc(CNC2CC2)c(C)c1C 2360214720 LRTAFNADYGWZME-UHFFFAOYSA-N 291.460 4.517 30 10 CJEE C=CC[C@H](C)S[C@H]1CCc2ccccc2[C@@H]1NCCC 2360324223 OBHRQLOHJHKTDU-WBAXXEDZSA-N 289.488 4.740 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1CN 2360362095 CSXJCAZLHLAEFG-DZJNRPSUSA-N 289.488 4.595 30 10 CJEE N#CC1(c2cccc(C(F)(F)F)c2)CCCCCC1 20429403 MUOZMDXDWMIVKX-UHFFFAOYSA-N 267.294 4.821 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1csc(C)n1 37766801 HSDPKTUGKLICOW-LLVKDONJSA-N 290.457 4.903 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1 38001411 CQJOKIALRROPAO-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1ccccc1SCCCC[C@@](C)(C#N)NC(C)C 45365959 BKXAXKHCBUXDNL-KRWDZBQOSA-N 290.476 4.538 30 10 CJEE CCc1ccccc1OCC[C@H](C#N)c1ccccc1Cl 57685390 HGNBKUPMMLJHPW-OAHLLOKOSA-N 299.801 4.979 30 10 CJEE CCC(C#N)(CC)CCOc1cccc(C(C)C)c1 57714747 WXBUROMRJOKYHQ-UHFFFAOYSA-N 259.393 4.909 30 10 CJEE CCCCCCC[C@H](C)NCCc1ccccc1F 59089820 CAXQCKUCFCCIAZ-HNNXBMFYSA-N 265.416 4.707 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 68594088 DQORIJGTVMUFEX-YPMHNXCESA-N 262.784 4.592 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1ccc(Cl)cc1C#N 80150864 SSXXXNPNRCRALQ-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE CC[C@H](C)SCc1nc(-c2cccc(C#N)c2)cs1 87140377 DYKZWEMQFJRJSL-NSHDSACASA-N 288.441 4.713 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87996744 CBBJFBCBNRSTMG-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CC(C)c1cccc(OCCCCCCS)c1 94582621 XUJWQNNPZHKASW-UHFFFAOYSA-N 252.423 4.679 30 10 CJEE Fc1ccc(SCC2(CS)CCCCC2)cc1 94588742 VAOZJOLNDCPXCA-UHFFFAOYSA-N 270.438 4.798 30 10 CJEE C#CCCC[C@H](Cc1ccc2ccccc2c1)NCCC 97390228 KGRCHDYZLYZLLD-HXUWFJFHSA-N 279.427 4.554 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccc(F)c(C)c2)cc1C 103030804 KOQDYCWBYFSDCN-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCCCNCc1ccccc1Br 105807547 OWONOTIRTKAWJZ-UHFFFAOYSA-N 298.268 4.899 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(C)c1)[C@H](C)N 109988924 IYSBYULYZUSXFN-FUHWJXTLSA-N 277.452 4.760 30 10 CJEE CCCCCCCCOCCNC1CCCCCC1 110239533 XDFAMISYEJJEAX-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCOc1ccc(Nc2ccc(C#N)cc2Cl)cc1 110258146 HNDQSNHNIINGHI-UHFFFAOYSA-N 286.762 4.744 30 10 CJEE Cc1ccc(C#N)c(Oc2ccccc2C(C)(C)C)c1 110260379 MMVBBXUCLUKPGG-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE C/C(=N/O)c1ccc2ccccc2c1OCCC(C)(C)C 110323346 AYXONGZPQXSVCS-UYRXBGFRSA-N 285.387 4.853 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CC)c1nccs1 112976559 QISHBCFIHVOEKX-KBPBESRZSA-N 268.470 4.933 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NCC1(C)C 114061099 PUKKHCORNFUABR-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(Cl)cc1N 114148120 MSTNBGXPJNBOQF-HNNXBMFYSA-N 269.816 4.706 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(OC)c(F)c1 115062698 NEAGMCZNFBUPNN-OAHLLOKOSA-N 267.388 4.585 30 10 CJEE CCCCCCCCCN1C[C@](C)(C2CC2)NCC1(C)C 115248018 MXCWWWMSXDWGCO-LJQANCHMSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCc2ccccc2C1 115848155 MWEJDTKZYMLYCJ-OALUTQOASA-N 273.464 4.740 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](C#N)CCC 115857446 ITTXXMLQIJKHQI-MRXNPFEDSA-N 280.456 4.716 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)c(OC)cc1C 122533097 OURZQPADMXTVLD-KRWDZBQOSA-N 277.452 4.933 30 10 CJEE CCCCCCCC[C@H](NC)c1c(F)cccc1OC 125135227 NDRVFXOYOVVFEM-HNNXBMFYSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](CC)OCC 125541301 OVMAKZKTTDURBC-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C=C(C)C[C@H](NCC)c1c(Cl)cccc1Cl 130810279 CDTAABUFPCDDJD-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE CCCCCCCO[C@@H]1[C@@H](C)C[C@@H](C)C[C@@H]1NCCC 219557770 VBCOLJUBUXPMBX-VSZNYVQBSA-N 283.500 4.776 30 10 CJEE CCCc1ccc(Oc2c(C)cccc2C#N)cc1 221148739 AWWQORFJKUEHOM-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE Cc1cccc(C#N)c1Sc1nc2ccccc2s1 221493972 AQAYVXXTYVGOHM-UHFFFAOYSA-N 282.393 4.628 30 10 CJEE CCCCCCC[C@H](CCOCC(F)(F)F)NCCC 232086567 ZYRHFBBYNWXKGM-CQSZACIVSA-N 297.405 4.684 30 10 CJEE CC[C@@H](C)c1ccc(Oc2cccc(C#N)c2)cc1 232342216 JBWMMFPUCCBCKY-CYBMUJFWSA-N 251.329 4.864 30 10 CJEE CCCCCCCC(=O)c1cc(F)c(F)cc1F 232936884 SNKNOJLBVVCANZ-UHFFFAOYSA-N 258.283 4.647 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](O)CCC 232946937 BVNUOGZTGDWISY-DLBZAZTESA-N 272.473 4.819 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(Cl)c1F 234441349 SKSKEXWNUONSBY-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE N#Cc1ccc(SCC2CCCC2)c2ccccc12 236182844 AOPSVEKACUMTPX-UHFFFAOYSA-N 267.397 4.994 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CSc2ccccc21 236403763 UPFBDCXKFRUZGK-HNNXBMFYSA-N 272.413 4.726 30 10 CJEE CC(C)(C)[C@H]1CCCN([C@H](CC#N)c2ccccc2)CC1 250728386 YACIRKWVTCLEHR-ZWKOTPCHSA-N 284.447 4.790 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@H](CC#N)c1ccccc1 251293731 DEOBNDGFFBDPIV-RDTXWAMCSA-N 298.817 4.988 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NN 253009962 RAKRUCFKDJWBNJ-FJIDUMEYSA-N 280.500 4.785 30 10 CJEE ON=C1CCC=CCCC=CCC[C@H]1Nc1ccccc1 254620569 SFZOEXJDYCKVCD-QGZVFWFLSA-N 284.403 4.764 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCOC(F)(F)F)CC1 311522422 FIGVIICAPNZMQR-UHFFFAOYSA-N 277.330 4.659 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCCCC2(F)F)CC1 317603357 QSZSCMITWHVSOY-SHARSMKWSA-N 272.379 4.988 30 10 CJEE C=CCSc1c(Cl)cccc1CNC(C)(C)C 379713691 HCPAPPAVKXLGTR-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE C=C(C)CNc1cccc(Cl)c1SC(F)F 381451234 GXKVPLZISLRBSQ-UHFFFAOYSA-N 263.740 4.643 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(Br)s1 384898832 WBEIURMROJMMCK-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CCC)C(C)(C)C 387078568 VWCZSTDYBFVWMG-KRWDZBQOSA-N 284.532 4.965 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1C 388910894 OMGAABNOKTYWGP-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE CCCCCCC[C@H](CC1(COC)CCC1)NCC 389097430 NUIFPGOXRNSKDC-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C[C@@H]1CC/C(=C\B2OC(C)(C)C(C)(C)O2)c2ccccc21 396717840 SGMGPZDOEIMXDT-MNWMYKRDSA-N 284.208 4.599 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 398104990 VEHRTRDQCDIEBN-NSHDSACASA-N 282.309 4.734 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@](C)(CC)C1 399313847 UQHMOFOXEQTQGY-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE N#Cc1cnccc1Oc1ccc(Oc2ccccc2)cc1 399413964 FJJKHSQDMJVONG-UHFFFAOYSA-N 288.306 4.538 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](CC(C)C)NC(=O)[C@@H]1C 399669191 NVHHOIGYMHXPRI-UXLLHSPISA-N 267.457 4.534 30 10 CJEE CC(C)[C@H]1C[C@@H](NCC2CCC(C#N)CC2)c2ccccc21 442865476 FYHRCEJFGRKPBM-YEYPGUGLSA-N 296.458 4.791 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC)[C@H](C)C(C)C 505036783 ZIKMJELVNDRVRC-OAHLLOKOSA-N 288.435 4.704 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)C1CC1 588574425 YKYDZIQIWVMSOP-OWBHPGMISA-N 283.415 4.833 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C2CCC2)cc1 666914697 JJKMGNUOMQWUEG-HDICACEKSA-N 296.414 4.669 30 10 CJEE C#CCCCCC[C@@H](O)c1ccccc1C(C)(C)C 686676846 JGLZTMAEQLEWCX-QGZVFWFLSA-N 258.405 4.601 30 10 CJEE CC(C)C1([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)CC1 687554238 VKACKIHCZORUML-ISXOHVOVSA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)SC1 689642203 OBDDVKJSGCCBFE-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE CCCCCCCCCCCCN(C)CC(C)(C)N 691990844 BEXGEEMIRYLUKC-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCCCC[C@@]1(CNC(C)C)CCOC1(C)C 693259863 DULYRFGKOQFIRE-KRWDZBQOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@H]1C2 693269352 ZFRKZBYWQFRGPS-YESZJQIVSA-N 266.473 4.539 30 10 CJEE Cc1cc(C#N)cc(C)c1OCC(C)(C)CC(F)(F)F 694094798 UEJOEGYIGXAAPF-UHFFFAOYSA-N 285.309 4.533 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CCCSCC1 702022398 CXQQCADMPAMJCW-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1ccc(Cl)cc1C#N 702297939 UBUZPBSJWPPRRC-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE O=C(C=C1CCCCC1)CC1(c2ccccc2)CC1 703812498 FCNJJSYEAXOBJJ-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE C#C[C@H](N[C@@H](C)c1cccc2ccccc12)C(C)(C)C 705318867 YIQJGOZOISIGOD-KSSFIOAISA-N 265.400 4.538 30 10 CJEE C[C@]12CCCC[C@@H]1CN2CC1(CS)CCCCCC1 707195680 CMJZIEXOUVNUQT-CVEARBPZSA-N 281.509 4.521 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]2CCC[C@H]21 707770771 AKQFJFYHLJCHMA-RRFJBIMHSA-N 273.445 4.955 30 10 CJEE CCc1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1Cl 709247736 ICUWYFMRWKGTCM-XJKSGUPXSA-N 276.811 4.787 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCC3(CCC3)O2)CC1 712400211 WWLSWGFFHODNSZ-HWOWSKLDSA-N 261.409 4.588 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 715796314 PFMGVCONATVFCI-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)C 715796874 QISXKXQVSNCEFI-MLHJIOFPSA-N 265.485 4.885 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CCC3(CCC3)CO2)CC1 716342610 FCKXLYYJWPXDQV-PQUAAJSLSA-N 275.436 4.836 30 10 CJEE CCCCCCCCC[C@H](N)c1ccnn1C1CCC1 724438171 LHNHICKTDRJPIP-INIZCTEOSA-N 277.456 4.749 30 10 CJEE C#CCCCC(=O)N(CCCC)[C@H](CC)c1ccccc1 758363732 RWTXDHJCLXBIEC-GOSISDBHSA-N 285.431 4.570 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)CC(C)(C)C1 821986490 ABUIYEWVDZRVJF-NCOADZHNSA-N 263.469 4.926 30 10 CJEE C=CC[C@@H]1N(C(=O)c2cc(C)ccc2C)CCCC1(C)C 1128572247 UASGJLFYBYEEFX-KRWDZBQOSA-N 285.431 4.510 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)Cc2ccccc2)CCCC1 1130909817 HIHHZVZMHNQAJN-KRWDZBQOSA-N 299.458 4.508 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1coc2cc(C)c(C)cc12 1134729253 WZUXDNWUAPRODS-HNNXBMFYSA-N 297.398 4.620 30 10 CJEE C=CCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 1170967000 JSEMEYCMVQTSMX-KRWDZBQOSA-N 255.405 4.570 30 10 CJEE C=CC[C@@H]1CCN(CC2CCC(C(C)(C)C)CC2)C1 1174891261 RMVAGQICTHDUNE-KLAILNCOSA-N 263.469 4.737 30 10 CJEE C=CCCC(C)(C)CNc1ncc(C#N)c2ccsc12 1187257296 ZMHKJHJFLIGKHU-UHFFFAOYSA-N 285.416 4.572 30 10 CJEE C=CCCC[C@@H](NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 1197378343 XLNHYXQOERFIPI-QXCFHYIPSA-N 269.432 4.720 30 10 CJEE C=CC[C@H]1N(Cc2ccc(SC)o2)CCCC1(C)C 1205567896 FHZADOMCYNPFPU-CQSZACIVSA-N 279.449 4.568 30 10 CJEE C=CCCCCN1c2ccccc2CC[C@H]1CCC 1307557940 YLYFRKVKYDSDPR-QGZVFWFLSA-N 257.421 4.964 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1cccc(Cl)c1)C(C)C 1353333443 ZOZFIBZHLGDHMJ-UHFFFAOYSA-N 293.838 4.679 30 10 CJEE C=CCC(CC=C)C(=O)Oc1ccc(C(C)(C)C)cc1 1355067664 YWZAXLWBKWHXDN-UHFFFAOYSA-N 272.388 4.658 30 10 CJEE C=CCC[C@H](C(=O)NCC(C)(C)CCC=C)c1ccccc1 1438261192 VXBYWVDBTQXJHT-SFHVURJKSA-N 299.458 4.845 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(C)cc(F)c1C#N 1458485865 XSAYYYOZNKCWQK-XJKSGUPXSA-N 272.367 4.553 30 10 CJEE C/C(=C/Cl)CSCCC1(C#N)CCCCC1 1459050092 GFEHAIHRJNUZPK-XFXZXTDPSA-N 257.830 4.726 30 10 CJEE C=CC[C@@H]1N(C[C@@H]2CCc3ccccc32)CCCC1(C)C 1462159006 YMLWKNFLNVRXLO-HKUYNNGSSA-N 283.459 4.783 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1462337378 YODDVUIDHGIORP-OXZADQLBSA-N 295.470 4.588 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 1525556270 GKLUIAICQCOLRS-NTDBWNAOSA-N 299.458 4.677 30 10 CJEE C=CCOc1cccc(NC(=O)c2ccccc2C(C)C)c1 1526623007 IXCLZXSFWDFOEO-UHFFFAOYSA-N 295.382 4.627 30 10 CJEE C=CCC[C@@H](C(=O)NC[C@@H]1CCCC1(C)C)c1ccccc1 1534027591 UUMAYQNVNNUODE-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CCCCN(CC)[C@H]1CC[C@](C)(c2ccccc2)C1 1561037734 RWQQHUBPBNCJEJ-OALUTQOASA-N 271.448 4.785 30 10 CJEE Cc1cc(C)cc(C#Cc2ccc(C)cc2Br)c1 1614825507 HXIIMQBISUFLNC-UHFFFAOYSA-N 299.211 4.774 30 10 CJEE C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1CCC(C)C 1635622079 MAOAARIYOSXOAO-INIZCTEOSA-N 294.483 4.589 30 10 CJEE C=CCn1c(SCC2(C)CCC2)nc2ccccc21 1640609634 FYPFJQQXGAJXMB-UHFFFAOYSA-N 272.417 4.505 30 10 CJEE C=CC[C@@H](C)Sc1cc(Br)ccc1OC 1651828212 MIKIALIYAUZORK-SECBINFHSA-N 287.222 4.514 30 10 CJEE C=C(CC)CN[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 1652664562 WWLJESWXDQVRNB-QGZVFWFLSA-N 275.823 4.832 30 10 CJEE C=CCCCCN[C@H](C)Cc1ccccc1SCC 1659528742 WKGMKJKXVYXOQB-OAHLLOKOSA-N 277.477 4.676 30 10 CJEE C=CCC[C@@H](CCC)NCCC1Cc2ccccc2C1 1664286786 YZRJCLIOBLBSDZ-LJQANCHMSA-N 271.448 4.516 30 10 CJEE SCC=CCSc1cc(Cl)cc(Cl)c1 1884308662 NEDIVMLQOKXYAZ-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE C=C1CCC(CN2C[C@H](C)C[C@H]3CCCC[C@H]32)CC1 1884406693 GHJBKZCUIQNUJJ-KBAYOESNSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@]1(C)C=CCCC1 1885229771 UHFSNIOAQWTCAF-ROUUACIJSA-N 261.453 4.685 30 10 CJEE 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PZXSTHZETBVAST-FZMZJTMJSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCn1c(NC)nc2ccccc21 105540473 BXMITLXZWNGKQH-UHFFFAOYSA-N 273.424 4.829 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)c3ccc(O)c(C)c3CC[C@@H]2C1 106896918 IWKVPNDFCCPGEV-ZMYBRWDISA-N 270.416 4.897 30 10 CJEE biogenic CCCCCCCN1CCCc2cc(C(C)=O)ccc21 107016533 ZRDCPLJDQNNPMH-UHFFFAOYSA-N 273.420 4.612 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ccc(Cl)c(C#N)c1)C2 109807530 FUHGNHQLXUUNTL-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCCCO[C@H](c1ccccc1C)[C@@H](C)N 109988965 VNBJCEQKULIIBH-AEFFLSMTSA-N 277.452 4.760 30 10 CJEE CSc1ccc(Nc2cc(Cl)ccc2C#N)cc1 110251929 OATSOJNPYZUEAG-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCc2ccccc21 116271969 LJRICKFWXOYDQQ-ROUUACIJSA-N 259.437 4.665 30 10 CJEE CCCCCCCC[C@]1(O)CCCc2occc21 124196729 INAVYWXEEUGAHL-INIZCTEOSA-N 250.382 4.554 30 10 CJEE CC(C)(C#N)CCSc1ccc(CNC(C)(C)C)cc1 124316689 QPNUJDVLHVBPBE-UHFFFAOYSA-N 290.476 4.607 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(CC)s1 125692573 BISRUGQVOYIKFV-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE CCCCCCC[C@@H](NCCC)c1c(Cl)cnn1CC 126268703 ZALHSQRJRRTMKN-OAHLLOKOSA-N 299.890 4.958 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)C2CCC(C(C)(C)C)CC2)C1 130334042 DOSWVFUJSBCMOB-RSXWSZKTSA-N 291.479 4.920 30 10 CJEE CCSc1cccc(Nc2ccc3c(c2)CCC3)c1C#N 136608897 PYDYEPUIUMSUME-UHFFFAOYSA-N 294.423 4.903 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(OC)CCC[C@H](C)C1 158371405 LIXNMUYLWFQWSI-YESZJQIVSA-N 270.457 4.693 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H]1CSc2ccccc21 158955869 FZLIOZGAKHGOTK-YJBOKZPZSA-N 289.488 4.704 30 10 CJEE CCCCCCCCN[C@@H](C)c1nc2ccccc2n1C 159168080 ICSLJUKOQBCXDZ-HNNXBMFYSA-N 287.451 4.584 30 10 CJEE C=C(C)CC[C@@H]1CC(C)(C)CC[C@@H]1CNCCC 164950034 HMILGNXPDXFTLV-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(N)cc1C 165353808 YUJBEPAJZLFFKO-FQEVSTJZSA-N 295.492 4.826 30 10 CJEE CCCCCCCCCCCC(=O)COC(C)C 168586271 RRIXNUJJAYLQEF-UHFFFAOYSA-N 256.430 4.901 30 10 CJEE CCCCCCC[S@](=O)Cc1nc2ccccc2s1 178043985 JSIZTGASUOIPJK-IBGZPJMESA-N 295.473 4.515 30 10 CJEE Cc1ccc(Cl)c(Nc2cc(Cl)ccc2C#N)c1 232245047 LUVIFSQLMWDXJJ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)CCn1ccc2c(Cl)cc(Cl)cc21 232583394 HQAWHWCJIBVWKJ-UHFFFAOYSA-N 254.160 4.914 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCO[C@@H]1CC 232933135 TWKVXWGOWFVOQS-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@H]1CNC(C)C 232949628 HHKYRXKMSIUCQQ-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@@H](CCC)C1 232966803 MQSWAIFHAPLHQM-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCC[C@H](C)[C@H](C#N)Sc1ccc(Cl)cc1 233341486 XOQBRLUTNQBBFI-GWCFXTLKSA-N 253.798 4.760 30 10 CJEE CCc1cccc2ccn(CCCCC(C)(C)C#N)c12 234133189 SPEPSZQMUXWZDP-UHFFFAOYSA-N 268.404 4.924 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(OC(F)F)cc1 234440208 BLUYPTAQZLQSAA-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2cccc(Cl)c2)cc1C 235836955 UTSUDOZJUAHADX-KRWDZBQOSA-N 284.790 4.942 30 10 CJEE C=CCCCCC[C@@H](O)c1ccccc1C(F)(F)F 236550125 BSLQZDBOYOEYJQ-CQSZACIVSA-N 272.310 4.875 30 10 CJEE C[C@@H]1CC[C@H](OCC2(CS)CCCCC2)C[C@H]1C 251763073 KGUXZEBYJJIYRU-KFWWJZLASA-N 270.482 4.708 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCCC[C@H]1C(F)(F)F 252989201 AIPRQVPMCJPDLV-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C[C@@H](CC#N)c1cc2ccccc2n1C1CCCC1 260065861 PJQGWPUUUQQQDF-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CC[C@H](C)c1ccc(CCCC#N)cc1Br 260422614 INXAIPKBELAUCC-NSHDSACASA-N 280.209 4.809 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316784513 WDZADCWGMSJDOI-IINYFYTJSA-N 271.187 4.541 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cccc(Cl)c1Cl 385042040 RIZRZOBOAXJBAL-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE CCN[C@H](C)c1ccc(SCCCCCC#N)cc1 385294533 IYIHGCUDLIBVOF-CQSZACIVSA-N 276.449 4.533 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@@H](CC)CCCC 387688171 UQINBBXVXRUMNG-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)c1ccccc1)NN 395018582 MEBSUYURLMAJIE-AEFFLSMTSA-N 276.468 4.763 30 10 CJEE N#CCc1cc2sc(Cl)cc2cc1C(F)F 396188306 KGCFNSMWGMMYTI-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CSc1cccc(N[C@H]2CC[C@H]3C[C@H]2C3(C)C)c1C#N 400089778 JGKXLLNPTJOBFJ-LNSITVRQSA-N 286.444 4.517 30 10 CJEE CCCCCCCCCCCCNCc1cnns1 400218710 HGFLPWZFEIYNNZ-UHFFFAOYSA-N 283.485 4.549 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccccc1 526849301 XBMTXIKDQQMZEW-GOSISDBHSA-N 266.450 4.686 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1ccn2C(F)F 617491115 GYGMNHDIHVHQMK-LLVKDONJSA-N 292.329 4.577 30 10 CJEE CCCCCCCCCC[C@]1(C=O)C[C@@H](C)O[C@H]1C 686431641 WNDOKBAKOVLBTO-IXDOHACOSA-N 268.441 4.900 30 10 CJEE Cc1ccc(C)c(N=C2NC3(CCCCC3)CCS2)c1 687319975 OQDKWKGNHDZVSU-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]12CCC[C@H]1OCC2 687405324 JDAABXBGBKILKZ-KSZLIROESA-N 281.484 4.674 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2cccc(F)c2)C1 687954610 QIWJLGJDJCJLLE-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE CCCCCCC[C@@H](CCCOC(C)C)NCCC 689424973 SHGLNIICXNRAAL-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNC[C@H]1C[C@@H]2C[C@@H]2C1 697872154 GCLYQUYOVFIZBW-BJWYYQGGSA-N 251.458 4.763 30 10 CJEE C=C(CC)CNc1ccc(OC(F)(F)F)cc1Cl 699694245 WCMKDYGWYUTNHF-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2ccncc2c1 702712901 ZSVNKYHVBOYVCQ-GOSISDBHSA-N 270.420 4.985 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cnc(C2CC2)o1 707547393 SCPOUMUVYZQHQY-OAHLLOKOSA-N 278.440 4.953 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C 710674372 HIFCKDSTVZVFOY-CORIIIEPSA-N 257.849 4.570 30 10 CJEE N#CC1(C[C@@H]2CC[C@H](C3CC3)O2)CCCCCCC1 715444769 ZVUOLKBIROELCU-JKSUJKDBSA-N 261.409 4.588 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 715723485 SGHWJWVBWYBNCR-TZNCUMHOSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1(c2ccccc2)CCCC1 715751669 ZYORNYHVHHDJEK-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NCCC 717006505 WVGXSNKLTCSINT-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCCC[C@@H]1C 719632925 IIWOGQPALWXBNS-LNLFQRSKSA-N 285.431 4.949 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H](C)O[C@H](C)C1 724300079 SYXBBWWVXQONCV-HZMVEIRTSA-N 270.457 4.692 30 10 CJEE C=C1CCC(C[C@H](N)C[C@@H](C)CC(C)(C)C)CC1 724619120 VSYPLTFWMRABMA-GDBMZVCRSA-N 251.458 4.913 30 10 CJEE C#CCCCSCc1csc(-c2cccs2)n1 766739024 SGLXHXZZDMBKJM-UHFFFAOYSA-N 279.455 4.518 30 10 CJEE C=C(C)CCSc1nn(-c2ccccc2)c(=S)s1 775143577 APYVEYHIIRWFNF-UHFFFAOYSA-N 294.470 4.722 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1 1124175867 LXGVVFCPOTWFKC-CYBMUJFWSA-N 273.159 4.501 30 10 CJEE C=CCCC[C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1 1124244887 IHUGYKTUHBNHMQ-GOSISDBHSA-N 297.373 4.904 30 10 CJEE C=CCC(C)(C)C(=O)N(C)c1ccc(C(C)(C)C)cc1 1125318317 RIHVGBQHODHEQT-UHFFFAOYSA-N 273.420 4.549 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)c2ccccc2C)c1 1134837882 CJUKWBGIBDDBQK-UHFFFAOYSA-N 293.410 4.944 30 10 CJEE C=CCCCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 1181041644 APVSRLPXVWRILA-CYBMUJFWSA-N 285.353 4.582 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc2c1OC(C)(C)C2 1203113187 JCXGEOFWKTZSHN-MAUKXSAKSA-N 299.458 4.625 30 10 CJEE C=CCC[C@@H](C)NC(c1cccs1)c1cccs1 1258725440 KMBYZEAFEARHBT-GFCCVEGCSA-N 277.458 4.843 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)c1cccc(C(F)(F)F)c1 1276908505 ADPBZFXLNNWKJK-UHFFFAOYSA-N 299.336 4.661 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cc(C)c(C)cc1Cl 1310765703 FICLSENSUTUCTR-ZDUSSCGKSA-N 294.826 4.823 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2CCC)CCCC1 1349365135 IAVKFZPETDCHEO-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccccc1 1461551359 SYMPBMLOOHOELD-ZBFHGGJFSA-N 274.404 4.919 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(CC)s2)c1 1474053280 QPHZARWLPJEOII-UHFFFAOYSA-N 287.428 4.878 30 10 CJEE C=CCN(C(=O)c1ccc(C2CCCCC2)cc1)C1CC1 1520769367 AOMGDTLJJKXJTE-UHFFFAOYSA-N 283.415 4.525 30 10 CJEE C=C1CCC(C(=O)N[C@H](C)c2cc3ccccc3s2)CC1 1522380888 XFBDGSSVGGUELP-CYBMUJFWSA-N 299.439 4.825 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 1526896310 USOUHIMMVIWIIK-MNAZLIDISA-N 279.468 4.700 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 1529695985 HGODAJUTYPEPFO-DOTOQJQBSA-N 285.431 4.589 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)c1cccc2ccccc12 1531991777 YCKUPXXYNXVFKT-HNNXBMFYSA-N 281.399 4.795 30 10 CJEE C=C(C)C(C)(C)C(=O)N(CC)Cc1ccc2ccccc2c1 1534972451 FBAJIFDNGUCCGY-UHFFFAOYSA-N 295.426 4.791 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc2ccc(F)cc2o1 1559235126 JXPFFAIPAUGJBV-AAEUAGOBSA-N 274.339 4.514 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC1CC(c2ccccc2)C1 1597113743 PYHPUDVAHLWSEO-UHFFFAOYSA-N 299.458 4.679 30 10 CJEE C=CC1CCN(Cc2c(C)ccc3ccccc23)CC1 1641781643 LLJHTWARUYDRGB-UHFFFAOYSA-N 265.400 4.546 30 10 CJEE C#CCCCCCCN1CC[C@@H]([C@H]2CCCC2(C)C)C1 1643549599 DIZASQPPWCUHIB-QZTJIDSGSA-N 275.480 4.718 30 10 CJEE C=C(Cl)CN(Cc1ccccc1)[C@H](C)Cc1ccccc1 1643906041 WCSRDEJOVASORX-QGZVFWFLSA-N 299.845 4.872 30 10 CJEE CCCCCCCCCN(C)[C@H](C)c1ccncc1 1644394524 DSPQIUZOTMQBIY-MRXNPFEDSA-N 262.441 4.825 30 10 CJEE C=C(CC)CN(CC1CC1)c1cccc(C(F)(F)F)c1 1646007418 NFKPIBZQIIWXKA-UHFFFAOYSA-N 283.337 4.888 30 10 CJEE C=CC[C@@H](C)N[C@@H](CC)c1cccc2ccccc12 1648348825 LMZCGCMCEYWCLX-KDOFPFPSSA-N 253.389 4.845 30 10 CJEE CCCCCCCCCN[C@@H]1CCO[C@H](C(C)C)C1 1648725166 GFFXGYXHWROOSL-SJORKVTESA-N 269.473 4.530 30 10 CJEE C#Cc1ccc(NCCc2cccc(Cl)c2)c(Cl)c1 1653185099 SOIMZPUFBIIFDI-UHFFFAOYSA-N 290.193 4.629 30 10 CJEE C=CCCCCCCCNCc1cccc(C)c1C 1658065648 YZPVFPMMOJBVJJ-UHFFFAOYSA-N 259.437 4.920 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@H]1c1ccc(Cl)cc1)C(C)(C)C 1659346271 DKHHCUZHEBRLCN-ULQDDVLXSA-N 289.850 4.614 30 10 CJEE C#CCC1(NC[C@H](C)CCc2ccccc2)CCCCC1 1663341659 WACWSPTVDIPCLU-GOSISDBHSA-N 283.459 4.571 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCC[C@H](C)CC2)CCCCC1 1671683285 XRGNGGPVIPECNC-HOTGVXAUSA-N 292.467 4.533 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)C1CC(c2ccccc2)C1 1875795180 KIAFBCXMOIWKIP-IWCVFHTOSA-N 256.389 4.576 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CC(C)=C[C@H](C)C1 1879651356 RYRJXWVPXAFOKB-JQHSSLGASA-N 261.453 4.541 30 10 CJEE C=C(CN(C)CC1(C)CCCCC1)c1ccccc1 1883351451 JZVIQPPMWUFAIC-UHFFFAOYSA-N 257.421 4.602 30 10 CJEE C=CCC(CC=C)[C@H](N)c1scc(Cl)c1Cl 1901008228 DNVRMHHMMOZOMD-NSHDSACASA-N 276.232 4.823 30 10 CJEE C=CCC[C@H](C)c1cccc(Br)c1C 1902784297 GRECLTBYVUBVHD-JTQLQIEISA-N 253.183 4.827 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnccc1CC 1915906913 ARXSJJNKYNZRBJ-QGZVFWFLSA-N 262.441 4.655 30 10 CJEE CCCCCCCCCCn1c(C)nc(C)c1C 1918104896 LDXKVAJZTFTBKD-UHFFFAOYSA-N 250.430 4.949 30 10 CJEE CCCCCCCC[C@H](N)[C@@](C)(O)c1ccc(CC)s1 1920341472 PBZYYOJNRMSUGO-DOTOQJQBSA-N 297.508 4.596 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@@]1(C#N)CCCC12CCC2 1921305774 RCKOMNFFNCJVKU-QGZVFWFLSA-N 277.452 4.674 30 10 CJEE C=C([C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@H]21)[Si](C)(C)C 1922979132 QNJHHWQBXFZPSD-HZMVEIRTSA-N 279.544 4.615 30 10 CJEE CCSc1cccc(NCC2(C(C)(F)F)CC2)c1C#N 1926801741 IGHOTICCFFJPKJ-UHFFFAOYSA-N 296.386 4.518 30 10 CJEE CC1(C)OB(C=Cc2ccc(Cl)c(Cl)c2)OC1(C)C 1927748397 XVPVZVMVZHQYPQ-UHFFFAOYSA-N 299.006 4.638 30 10 CJEE CCCCCCCCCNC[C@H]1CC[C@@H](C)S1 1946328195 JSQWJXGQCKCBSQ-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CCCCCNc1ccc(Br)cc1CC 1984511019 OWJRDKGOOOBDHH-UHFFFAOYSA-N 282.225 4.780 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc(Cl)sc2Cl)CC1 1985233550 YDZGJPUFZZDHRZ-ZETCQYMHSA-N 275.200 4.984 30 10 CJEE C=CCC[C@@H](C)C(=O)CSc1ccccc1Cl 1996471180 RHTVNUPWYWQZQU-LLVKDONJSA-N 268.809 4.604 30 10 CJEE C=C(Cl)C[C@@](CC)(CCCC)CNCC(C)C 2000504641 JWZCXZOHDHLCDD-OAHLLOKOSA-N 259.865 4.961 30 10 CJEE CCC(C)(CC)COc1cc(Br)cc(C#N)c1 2011170609 BLXAUDYYLKLVLO-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE N#C[C@]1(Cc2sccc2Cl)CCCC(F)(F)C1 2012777803 VOUIZIVZXOPFPL-NSHDSACASA-N 275.751 4.663 30 10 CJEE C=CCCCCCCCC[C@]1(O)CS[C@H](C)C1 2026309700 HTHMAQXXQZJRCQ-HUUCEWRRSA-N 256.455 4.550 30 10 CJEE CCCCCCCCC1(C(=O)O)C(C)(C)C1(C)C 2027183230 ZWPAXHHDKFHMJT-UHFFFAOYSA-N 254.414 4.874 30 10 CJEE C=CCCCCC[C@@H](O)C1(C(F)(F)F)CCCC1 2027672000 ASRMGFKRJMUDGA-GFCCVEGCSA-N 264.331 4.607 30 10 CJEE CCCCCCCC[C@H](NC)C1CCC(F)CC1 2032096063 RKQHGNCLJMEKHN-GPANFISMSA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CC[C@H](F)C1 2032971466 PMFXSPDAQJCPOL-JYJNAYRXSA-N 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262.315 4.671 30 10 CJEE CCCCCCCCC[C@@H]1CCSCC[C@@H]1NC 2061220537 SMTVYYCXSCAYKV-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@@H](NC)C12CCCC1CCC2 2063821310 FXKGVWJQMLHIDT-AQFXKWCLSA-N 251.458 4.905 30 10 CJEE N#C[C@@]1(C2CC(C3CCC3)C2)CCCC(F)(F)C1 2065232914 WEOXOODSDHHSSL-JXQTWKCFSA-N 253.336 4.532 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C1(C)CCCC1 2067507851 GDOQXFZQHIKCEZ-NSHDSACASA-N 262.784 4.592 30 10 CJEE CC(C)C(C[C@]1(C=O)CCCC(F)(F)C1)C(C)C 2068846546 ZAAGBIHQTRAEKV-CQSZACIVSA-N 260.368 4.699 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC12CC(F)(F)C2 2069071857 LMUNEOMFNYTFNN-LBPRGKRZSA-N 258.352 4.742 30 10 CJEE CC(C)=CCC[C@@H](C)Nc1ccc(C#N)cc1Cl 2070407670 INWYPHTYPQXSSK-GFCCVEGCSA-N 262.784 4.758 30 10 CJEE C=CCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCCC 2072384376 UBELJXLGRDOKSO-CABCVRRESA-N 273.401 4.502 30 10 CJEE C=CCCCCCC[C@@H]1C[C@H](O)CC2(CCC2)C1 2085849297 JVEXCSDBIHJTQK-CVEARBPZSA-N 250.426 4.844 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1C[C@H]1C(C)C 2085854810 SZPMULFGLVUHMM-ULQDDVLXSA-N 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C=CCCCCCCCC(=O)[C@@]1(O)C=CCCC1(C)C 2235542767 WAAZDIBZUMNAJM-SFHVURJKSA-N 278.436 4.580 30 10 CJEE C=CCC(C)(C)OCC1(CNCC(C)C)CCCCC1 2239368447 AYSQAIBWQFHJPK-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE CN[C@@H](C#Cc1ccc(Cl)cc1)[C@H](CC(C)C)C(C)C 2239467970 LZLYAAJVBMYVIM-MSOLQXFVSA-N 291.866 4.598 30 10 CJEE CCCCCCCCCCOC[C@@H]1CC[C@@H](CC)CN1 2239480798 FTWKTSXYBUBOOK-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCOCC1(C(=N)N)CC1 2239505779 YWJSYOFZJOFKDG-UHFFFAOYSA-N 282.472 4.640 30 10 CJEE CCCCCCCCCCO[C@H]1CCC2(CCC2)[C@@H]1O 2239506958 FXUGKCLGNGXXQF-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CC1([C@H](N)C#Cc2ccc(Cl)cc2)CCCCCCC1 2239566066 HQXPMMFPLQHDNC-QGZVFWFLSA-N 289.850 4.769 30 10 CJEE CCCCCCCC[C@H](C#Cc1ccc(C)cc1)NC 2239644396 CEKIJHRQHUZUMX-LJQANCHMSA-N 271.448 4.685 30 10 CJEE CCCCCCCC[C@@H](C)N(CCCC(=O)O)C(C)C 2240647322 FXGLWVWQJDKEMV-MRXNPFEDSA-N 285.472 4.701 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C1=CCCCCC1 2240665726 GKBVUFAXVUFQQC-SFHVURJKSA-N 280.452 4.948 30 10 CJEE C=C(C)CCCCN(Cc1ccccc1)C1CCC1 2241937541 BVLWCDHFZMSEIQ-UHFFFAOYSA-N 257.421 4.788 30 10 CJEE C=CCCCCC[C@H](O)C[C@@H]1CCCCC12CC2 2253806259 ZLDHOIBIXSOTSA-HOTGVXAUSA-N 250.426 4.844 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnc(C)s1 2257371344 CTGXZIKVOUXRQB-OAHLLOKOSA-N 269.454 4.800 30 10 CJEE CCCCCCC[C@H](N)CC1CC2(CC(C)C2)C1 2259525893 JKYGDHRNZUJNLO-PYCMUAIMSA-N 251.458 4.891 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2263463511 AWUIBVMMLVYOBG-GFCCVEGCSA-N 290.209 4.532 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(C)CSC1 2263713115 QVTJXMANMYZEHL-HNNXBMFYSA-N 271.514 4.858 30 10 CJEE N#Cc1c(Cl)cccc1NCC1CC2(CCCC2)C1 2265266020 ZZEUGJDHUNEMFJ-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CC(CC(C)(C)C)C1 2268745151 GBGDISWVFRVURJ-UHFFFAOYSA-N 261.453 4.526 30 10 CJEE C=CC[C@](C)(NCCCCC[C@@H]1C[C@@H]1C)C(F)(F)F 2269523030 XIUYWENMCOEIOO-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCCCS[C@H](C)[C@@H](NCC)c1ccccc1F 2271490503 LQBDJEVACHHFSG-CZUORRHYSA-N 281.440 4.564 30 10 CJEE C=CCCCCCCCSc1cc([C@H](C)O)ccn1 2271581692 KYRHMZTWHCZXRC-AWEZNQCLSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccccc1OC(C)C 2271761915 XECGCOORDVPHDP-MRXNPFEDSA-N 261.409 4.610 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(C)oc2ccccc12 2271788369 PWWFBHFTMVRVOJ-OAHLLOKOSA-N 258.361 4.911 30 10 CJEE CCCCCCCC[C@@H](NC)C1CC2(CC(F)C2)C1 2272132040 KMQDJENKNNIDQR-ONNPGMOUSA-N 269.448 4.853 30 10 CJEE CCCCCCC[C@H](C#CC1CCCCC1)NCC 2274058101 DXVWCGDBFPVTOB-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CCCC1CC1 2274105740 DDJSYGFERXRVDS-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCC1CCC(N)(CC#CC2CCCC2)CC1 2274113213 QKHOPBGBSAXXQH-UHFFFAOYSA-N 261.453 4.648 30 10 CJEE CCCC[C@H](C)CC[C@H](O)C#Cc1ccccc1Cl 2277846026 YDIWRPLOBYVGNJ-HOCLYGCPSA-N 278.823 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)C[C@H](C)O 2278235895 NWKHWMOWAZZXEQ-ULQDDVLXSA-N 271.489 4.655 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccccn1 2278245750 NQFHKDANSIFULB-MRXNPFEDSA-N 262.441 4.700 30 10 CJEE CCC[C@@H]1CCSC(=NCC[C@H]2CCCCC23CC3)N1 2279726620 QDZMYFVQXAZRCD-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE N#Cc1cc(SC[C@H]2CC23CCC3)ccc1C(F)(F)F 2279977768 XINVTZQJTYFOMF-LLVKDONJSA-N 297.345 4.859 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2c(F)cccc2C#N)C1 2280482264 BIQNISFBOHAWGT-ZIAGYGMSSA-N 274.383 4.714 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccccc2OC(F)F)C1 2282927240 NCYKWCBRUFMTEK-WBMJQRKESA-N 279.330 4.551 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)c1sccc1CC 2283088524 IYQHTXPGFUODDP-HOTGVXAUSA-N 297.508 4.812 30 10 CJEE CCCCC#CC[C@@H](NCC)c1c(F)cc(C)cc1F 2283515011 ARRJDRZUBYZZIA-MRXNPFEDSA-N 279.374 4.508 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(C)CC(C)C1 2284089334 PGJCTFDCKRRSKI-TVRKMHQQSA-N 275.480 4.787 30 10 CJEE CC[C@H]1CC[C@H]([C@@H](CC=CC#CC(C)(C)C)NC)CC1 2284158281 JFPXIIUMELDYHO-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C=O)CCCC(C)(C)C2)c1 2284356170 KBNILZVMSNYDEH-QGZVFWFLSA-N 294.822 4.677 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cccc(OC(C)(C)C)c1 2285778202 VLDUBRKQEGMRQF-CYBMUJFWSA-N 275.392 4.571 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCCCCCCCCCO 2286819421 LMFKJOVGTMPRAT-ZWKOTPCHSA-N 282.468 4.885 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CC)C[C@@](C#N)(NCCC)C1 2287097520 WTZXNSTZHJMIIU-GVDBMIGSSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@](CC)(CCCC)CNCCOC 2287374021 ASKFOFBDDUGFKJ-SFHVURJKSA-N 283.500 4.946 30 10 CJEE C=C(C)CCCCC(=O)c1ccccc1OC(F)(F)F 2287375481 AJLWUULVHMISGD-UHFFFAOYSA-N 286.293 4.904 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(O)CCCCCC1 2287389225 BOQWBXAAMOLFRR-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(C)c(F)c1F)NC 2289662994 FVQSBMJPAAFBAN-HNNXBMFYSA-N 283.406 4.764 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C(C)(C)CC(F)(F)F 2289679538 YMWPYHBYRYTPID-AWEZNQCLSA-N 289.385 4.527 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@]12CCCC[C@H]1CC2 2289688135 ROYMXCSABVWQOR-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CC(C)(C)c1ccccc1[C@H](O)C#CC1CCCCC1 2289774306 GICHCPCGIFGKAJ-GOSISDBHSA-N 270.416 4.601 30 10 CJEE C=CCCCCCC[C@@H](OCCC(=O)O)C(CC)CC 2291285237 NKHSLHLBLIPVSX-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)[C@@H](C)C(C)C 2292078577 XTFUPRSFYIYWIG-DOTOQJQBSA-N 286.456 4.889 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1CCC 2292781087 DOPBWMRNRWAXPT-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1[C@H]2CCC[C@H]12 2293000333 OFUOASGYNIPPNQ-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE C=CCC[C@@H](C)C1(OCCN)CCCCCCCCC1 2293132950 DDRLWGPHBMVMBW-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@]1(C)CC1(F)F 2294357881 VEXDFGONIJJSKD-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CC[C@@H]1CCC[C@H](C(=O)C#Cc2ccccc2Cl)CC1 2295217901 XWMFFKSVLUHRIF-ZBFHGGJFSA-N 288.818 4.867 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@H]1C[C@H]2CC[C@H]1O2 2295582886 IXGQTGMWXYTPTP-BRSBDYLESA-N 282.468 4.836 30 10 CJEE C=C(C[S@@](=N)(=O)C[C@@H](CC)CCCC)c1ccccc1 2295707589 GHEPNMOALLVVGN-OXJNMPFZSA-N 293.476 4.963 30 10 CJEE Cc1ccc(C(O)=CC=Nc2ccc(C)c(C)c2)cc1 2296645867 QQYUZOCPECVXMS-UHFFFAOYSA-N 265.356 4.913 30 10 CJEE C=CCC(CC=C)OCc1cc(F)ccc1Br 2298829070 UXUAOURUKOBXQQ-UHFFFAOYSA-N 299.183 4.626 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc(Br)ccc1C 2301011086 VVYUSAOFMGFVMD-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1csc(C(F)F)c1 2304047643 DBWUAPTWUHJOHV-WCQYABFASA-N 259.365 4.678 30 10 CJEE C=CCC(C)(C)C(=O)c1cscc1C(F)(F)F 2304084885 ZRPUIJYDECSHGJ-UHFFFAOYSA-N 262.296 4.552 30 10 CJEE C=CCC(C)(C)[C@H](O)c1c(Cl)ccc(Cl)c1F 2304124686 GPEHMHMETNGWAW-GFCCVEGCSA-N 277.166 4.768 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 2308145981 WMIRIHXPSDOLIK-QBPKDAKJSA-N 252.442 4.924 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]2C(C)(C)C)C1 2311590744 PSWKYLPXLYVNKD-LJIGWXMPSA-N 250.426 4.844 30 10 CJEE C=CCC(CC=C)Sc1ncnc(Cl)c1CCC 2313628484 HNUCDUHPPJVQQY-UHFFFAOYSA-N 282.840 4.695 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1C(C)=O 2313634378 GUWFPNQUZJGDEB-UHFFFAOYSA-N 264.365 4.641 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCCC[C@H]1NC 2313641610 KWHKSSIBSIQXOA-ARFHVFGLSA-N 269.498 4.775 30 10 CJEE CN(c1ccc(Cl)cc1)c1cccc(Cl)c1C#N 2317037282 RHQDJEBRPBDCTD-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc2ccccc2s1 2319248526 FEYBIOUGRXHEES-XJKSGUPXSA-N 257.402 4.518 30 10 CJEE C=CC[C@H](C)[C@@H](CC[C@@H]1CCC(C)(C)C1)NCC 2321604605 DJFOZWHHUMQXNW-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CC(=NOCc1cccc(C#N)c1)c1ccc(C(C)C)cc1 2330454355 HZVLLLZKWWAZLW-UHFFFAOYSA-N 292.382 4.622 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)OCCN 2335027796 LEJMNIAYDYZBHB-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1COCC1(C)C 2336038091 KBKYYYKBQUPFTM-JKSUJKDBSA-N 270.457 4.551 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1C[C@H](C)c2ccccc21 2337064665 WHNSWBXQZIEUAJ-ZZCKCESHSA-N 255.405 4.569 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cc(F)ccc1C(F)F 2338286712 HLNMTNSXVVYDKZ-IINYFYTJSA-N 271.326 4.626 30 10 CJEE Cc1c(COc2cccc(C#N)c2)ccc(Cl)c1Cl 2338659207 CYMWCKRIGIHUOG-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=CCN(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C1CCCC1 2338927269 PSNMHSOVZHBWCQ-ULQDDVLXSA-N 261.453 4.633 30 10 CJEE C=CCCCCCCCCC[C@@H](N)CCCCOC 2341097017 WCVWLPFQCWBWQQ-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CSc1cccc(NCCCC[C@@H]2C[C@H]2C)c1C#N 2341409368 LYUWGWRQMOQCLO-CHWSQXEVSA-N 274.433 4.518 30 10 CJEE CC1(C)CC[C@H](COc2cc(Cl)c(F)cc2C#N)C1 2341753593 KCMJRHIGUREGGI-JTQLQIEISA-N 281.758 4.556 30 10 CJEE CCCCCC#CC[C@@H](N)c1cccc(C(C)C)c1 2343619248 UZUOOMMSWWQXKU-GOSISDBHSA-N 257.421 4.784 30 10 CJEE CCCCCCCCCCNC1(C(C)(C)OC)CC1 2343704516 PFPMWYCXCPUBPB-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)NCCC 2344369297 OGSBYNDWJAYPNT-JCECYMMASA-N 263.469 4.783 30 10 CJEE CCC[C@@H](CC)C[C@@]1(C=O)CCCc2ccccc21 2353446493 MEZYZQPEUSMEIV-CRAIPNDOSA-N 258.405 4.676 30 10 CJEE C=CCOc1ccccc1C(=O)C[C@H](CC)CCC 2353555449 VYFRLUHQLLXUIH-CQSZACIVSA-N 260.377 4.651 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2355085290 QSEPSACFZKZACQ-HGTKMLMNSA-N 284.390 4.843 30 10 CJEE CCCCCCCCCCCCNC[C@H]1[C@@H]2CCO[C@@H]21 2355558312 KBBZVMIWHUGMBT-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H]1C[C@@H]1CC)OCCN 2360041090 TUQRMESEPVHJTN-KSZLIROESA-N 283.500 4.907 30 10 CJEE O=C1/C(=C/c2cccc(F)c2)CC/C1=C\c1cccc(F)c1 4826243 IFEQEPPBJWNCLN-KAVGSWPWSA-N 296.316 4.795 30 10 CJEE Oc1cccc(/N=C/c2cccc(-c3cccs3)c2)c1 8513468 PJUOLCIJWKVECN-LDADJPATSA-N 279.364 4.871 30 10 CJEE CCCCCCCCCCCCN(C)CCCN(C)C 14277603 CIYWMNFBPQWODC-UHFFFAOYSA-N 284.532 4.791 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2cccc3ccccc23)c1 20549102 AMQXDHPZOOFJAN-HNNXBMFYSA-N 271.363 4.994 30 10 CJEE CCC(CC)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 37344040 RBFVUAUZCKZAAS-SNVBAGLBSA-N 284.186 4.606 30 10 CJEE CCOc1ccccc1OCCC[C@@H](C#N)c1ccccc1 57684528 DREIDIVDRIZGTH-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](c1ccccc1)N(C)C 59090011 ASTMLUNPGINGED-MJGOQNOKSA-N 290.495 4.628 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(F)c(F)c1 59283884 FKLAJLLPGDUWDY-HNNXBMFYSA-N 255.352 4.586 30 10 CJEE N#Cc1c(Cl)cccc1NCCC1=CCCCC1 70138459 VOQTVLNONGTPAU-UHFFFAOYSA-N 260.768 4.514 30 10 CJEE C[C@@H]1CCC[C@@H](CCNc2ccc(C#N)cc2Cl)C1 70539563 AREBUARJCFRELJ-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE CC(C)(C)c1nc(-c2ccccc2Cl)sc1CC#N 82439034 KXQICIHAXGRGRD-UHFFFAOYSA-N 290.819 4.827 30 10 CJEE COc1cc(C)c(Cl)cc1C(=O)/C=C/c1ccccc1 83193193 XPAXPAUCDZAOPL-CMDGGOBGSA-N 286.758 4.553 30 10 CJEE CCC1CCC(C#N)(Cc2ccc(C)c(C)c2)CC1 87933632 KYSMFDRVRFOSNS-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCC1CCC(C#N)(Cc2ccccc2Cl)CC1 87933697 NFFGDUFVKBCEGC-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE CCCCCCCCCC1(O)CCC(NCCC)CC1 91365608 SKTYVHUYNGQXLC-UHFFFAOYSA-N 283.500 4.800 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2c(C)cc(C)cc2C)C1 91882160 DHUKZVSHDONHNQ-BHIYHBOVSA-N 285.431 4.755 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@@H]2Cc3ccccc3S2)C1 92273615 MCRUQKQESITHJG-UKPHBRMFSA-N 271.429 4.814 30 10 CJEE Cc1ccc(Cl)cc1OC[C@H](CS)C(C)(C)C 94585983 OJZCJBKMKDLWQS-LLVKDONJSA-N 272.841 4.619 30 10 CJEE Cc1ccc(CSCc2ccc(C#N)cc2)c(C)c1 96549686 JMCYGMRLDVPBFT-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CSCC[C@@H](C)N(C)CCCCCCCCCS 97799602 YXVLHYWAGFRPTI-OAHLLOKOSA-N 291.570 4.720 30 10 CJEE CCCCCCCNCc1ccc(Cl)c(F)c1 106265540 YHLSLQGXQDRGEE-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cc(F)cc(F)c1 109729248 RTTZEQNSMFYWJU-KRWDZBQOSA-N 283.406 4.975 30 10 CJEE CCCCCCCO[C@H](c1cccc(C)c1)[C@@H](N)CC 109987630 HOWUPJXFFYGXOV-ZWKOTPCHSA-N 277.452 4.760 30 10 CJEE CCCCCCCOC[C@H](O)c1c(C)cc(C)cc1C 110022354 RCKWNXBYVUCXDA-KRWDZBQOSA-N 278.436 4.632 30 10 CJEE CCCCN(c1ccc(C(F)(F)F)cc1C#N)[C@H](C)CC 110256471 FXRBELHNGKCERK-GFCCVEGCSA-N 298.352 4.982 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(C)(C)CC2)C1 110265521 WFULNVLICXKDFN-GVDBMIGSSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CNCC(C)C 110326089 LCFNCYDHCPLSGS-LJQANCHMSA-N 296.543 4.837 30 10 CJEE CCCCCCCCn1ccc([C@H](C)NCCC)c1 118240274 JXMHEOYXLWNPKO-INIZCTEOSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCOc1cc(OC)ccc1[C@H](C)O 122083500 ICDAZDRBOZPSOA-HNNXBMFYSA-N 294.435 4.878 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2c(s1)CCCCC2 122268389 VGCIFOCHWLVVTF-OAHLLOKOSA-N 294.508 4.882 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@H](O)CCCC2 128523057 RRABDGGECXJVSJ-GOSISDBHSA-N 277.452 4.999 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@@H](C)OC 129146644 CGAIGSDTAZRNMV-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNC(=O)c1cc(N)c(C)s1 129201721 KATUVTPTGJTKKJ-UHFFFAOYSA-N 296.480 4.509 30 10 CJEE CCCCCCCCCC(=O)CCc1ccncc1 135408309 KQYVRLLNPHZCHX-UHFFFAOYSA-N 261.409 4.724 30 10 CJEE CCCCCCCCCC[C@@H](N)COC(C)(C)C 143433063 KVIOSMQDHAMLQN-OAHLLOKOSA-N 257.462 4.660 30 10 CJEE C#CCN(CC1CC1)C(=O)CCCCCCCCCCC 161961801 VCVULUDLIDJFMB-UHFFFAOYSA-N 291.479 4.779 30 10 CJEE N#Cc1cc(Oc2ccc(F)c(F)c2)ccc1C(F)(F)F 164500575 OYEAEDJMBRYLKC-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)[C@H](C)CO 167063873 FAVDVVKTWSSHQQ-SJORKVTESA-N 271.489 4.514 30 10 CJEE N#C[C@@H](Sc1cccc(F)c1)C1CCCCCC1 167875678 YLOFNARVXAHAKJ-OAHLLOKOSA-N 263.381 4.780 30 10 CJEE C=CCC[C@H](C)N[C@H]1CCSc2ccc(Cl)cc21 228821737 NWSDIHANFXYAOK-FZMZJTMJSA-N 281.852 4.821 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCO[C@@H]1CC 232939086 RSRIDPVTQOPIST-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCCNCC1(SC)CC1 232943276 IEKXTMMQVDJXCV-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@@H]1CNC(C)C 232949038 HHKYRXKMSIUCQQ-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CCCCC 232960627 PMYOKQPTXZEREQ-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CC#CCC[C@H](NCCC)c1scc(C)c1Cl 233122288 ODEHFDCPGUKONH-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE C=C[C@@H](C)Nc1c(Cl)cc(Cl)c2c1N=S=N2 235237168 WLBAMASIYYFUCX-RXMQYKEDSA-N 274.176 4.706 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@H]2CCCc3ccccc32)CC1 235698480 MTGWBMAHFBRPLG-RHSMWYFYSA-N 268.400 4.812 30 10 CJEE CCCCCCCCC[C@H](CN)N1[C@H](C)CC[C@H]1CC 300516752 GGNPKQKRRHNMFY-KZNAEPCWSA-N 282.516 4.717 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCC(F)(F)C1 302272980 AXIXQTKXJUZMQY-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCCCC[C@@H](CCCN)COC 310653021 ZFHGZGOHAYRFSN-INIZCTEOSA-N 257.462 4.519 30 10 CJEE CC1CCC(C#N)(CCCCC2CCOCC2)CC1 311328721 FKENZSCLVDONDF-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE C=CCS[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCCC 312423943 ZDELGUBCJMNAND-KZNAEPCWSA-N 289.488 4.610 30 10 CJEE CCSc1cccc(N(C)[C@H](CC)C2CCC2)c1C#N 325343038 FIXJAQMBRYNZGK-OAHLLOKOSA-N 288.460 4.685 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cccnc2)ccc1C 366542563 XLNTUSXRIQHDSV-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE CCCCCCCCCOc1cc(F)cc(C(N)=S)c1 383590685 CRQVYFLQKPPQPH-UHFFFAOYSA-N 297.439 4.589 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)CC(C)(C)C)CC1 384897060 MORZNRATXRBEIE-WIHSUSGWSA-N 265.441 4.674 30 10 CJEE CCC1CCC(C#N)([C@@H](O)CCC2CCCCC2)CC1 395114137 QIZWXLLTGATKDS-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@](C)(O)c1c(Cl)cccc1Cl 400827108 VCMRDPNCRFKFGF-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H](CC)CC(F)(F)F 402611387 GRTSRWBALISTDC-STQMWFEESA-N 265.363 4.690 30 10 CJEE CC(C)c1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 512668258 UEAHUPROVVCYSG-ZDUSSCGKSA-N 282.362 4.994 30 10 CJEE N#CCc1cccnc1-c1cc(Cl)c(Cl)c(Cl)c1 514263520 BREYDGVQTOGKLX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE Cc1cccc(/C=N/c2cc(Br)ccc2C)c1 605644730 PIQMWUSSLGEUQT-LICLKQGHSA-N 288.188 4.817 30 10 CJEE CCC1([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)CCC1 686132294 ILLQIZWMHLVDJP-CSLYMUCUSA-N 277.452 4.674 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccccc1C 686682895 VQUPTIORFIKLNR-SFHVURJKSA-N 257.421 4.619 30 10 CJEE CC(C)(C)C(C)(C)/N=C1/NC2(CCCCC2)CCS1 687320246 CHYOAXWJCIQMSY-UHFFFAOYSA-N 282.497 4.597 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(SC(F)F)c1 690185287 QIGCUIYYCJHXQH-FZMZJTMJSA-N 296.386 4.886 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc2c1CCO2 690263810 FNUYDZVBZJXXRM-CQSZACIVSA-N 261.409 4.782 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1nc(C)sc1C 692513225 WJVDAWMXBLFNSI-OAHLLOKOSA-N 283.481 4.804 30 10 CJEE N#Cc1cc(Cl)ccc1NC[C@H]1CCCC2(CC2)C1 695757153 OZYGZYFTKTZDCQ-LBPRGKRZSA-N 274.795 4.594 30 10 CJEE C#C[C@H](N[C@@H](CCCC)c1ccc(F)cc1)C(C)(C)C 702250799 MJHYFVYQYVNUDX-IRXDYDNUSA-N 275.411 4.695 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)SC1CCCCC1 704910947 XDKXZWAJFXTQEH-BPLDGKMQSA-N 251.439 4.771 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CCC(C)C)C1CC1 709341608 DXWLOJXOOCJKIJ-NJAFHUGGSA-N 263.469 4.926 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CC(C)(C)OC1(C)C 709732718 AUCZZJNVULNWSL-CVEARBPZSA-N 281.484 4.695 30 10 CJEE CC[C@H](/N=C1/NC2(CCCCCCC2)CS1)C(C)C 713287201 XRNSKXVIZWYBCX-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE C[C@H](N[C@@H]1CCCCCC1(C)C)c1cccc(C#N)c1 718952569 ACFYVIBFFWHSSW-WMLDXEAASA-N 270.420 4.568 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC2(CC)CC)C1 721241574 WWLWPVWZFOAWDH-IXDOHACOSA-N 276.468 4.750 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CC)[C@H]1CCCOC1 724014327 MZQDVGOZDKOGCZ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccnn1C1CCC1 724438172 LHNHICKTDRJPIP-MRXNPFEDSA-N 277.456 4.749 30 10 CJEE C=C1CCC(CSc2cc(OCC)ccc2N)CC1 724560679 YQSBQJRJRPHYPF-UHFFFAOYSA-N 277.433 4.506 30 10 CJEE C=C1CCC(C[C@@H](Cc2cccc(Cl)c2F)NC)CC1 724576140 USHGFKFAFALXHO-HNNXBMFYSA-N 295.829 4.746 30 10 CJEE C[C@H](CCC1CC1)/N=C1/N[C@H](C2CCCCC2)CCS1 725106190 UCAUIQFOPCEOTL-CJNGLKHVSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccccc21 821997796 YDLXJYKYOGCGBT-NZSAHSFTSA-N 269.432 4.789 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](CC)c1cccc(Cl)c1 1124911809 DJWMAIKGKQKVSQ-WFASDCNBSA-N 279.811 4.510 30 10 CJEE C=CC[C@@H](C(=O)NCC1(C)CCCCCC1)c1ccccc1 1127484926 GNIVEMXNLHKULS-GOSISDBHSA-N 299.458 4.823 30 10 CJEE C=CCCC1(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CCCC1 1130910047 SHFABMDDEZBZTP-HOTGVXAUSA-N 291.479 4.702 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(F)c2ccccc12 1134514684 FRACYYFEGKYSIS-CQSZACIVSA-N 297.373 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)CCc2ccccc2C)c1 1134838407 YXOPYWGCXGTQQL-UHFFFAOYSA-N 279.383 4.599 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)C1 1178831362 QRWQMRNGOFYPCP-HHXXYDBFSA-N 269.432 4.707 30 10 CJEE C=CC(C)(C)CC(=O)N(CC1CCCCC1)OCC(C)C 1183885863 BTHMMTINEHTJEI-UHFFFAOYSA-N 295.467 4.585 30 10 CJEE C=CCCc1ccccc1NCc1cc(F)ccc1OC 1202127891 ZDZOFXMEUALETG-UHFFFAOYSA-N 285.362 4.565 30 10 CJEE C=CCC[C@@H](C)NCC(C)(C)c1ccc(C)cc1C 1205999469 YAQZIJPVFXGOPJ-MRXNPFEDSA-N 259.437 4.525 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1 1210299655 RWGNXYDUGXWVTG-HALDLXJZSA-N 286.419 4.666 30 10 CJEE C=CC1(CC(=O)OCc2ccccc2Cl)CCCCC1 1264238222 OKLWWIRDVUVHJD-UHFFFAOYSA-N 292.806 4.910 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)CCCC 1271331676 UTUODXDRNUXDIG-GOSISDBHSA-N 287.447 4.808 30 10 CJEE C=CCCCCCCCNC(=O)c1c(F)cc(C)cc1F 1274904438 MXCRIWGRJNAVBW-UHFFFAOYSA-N 295.373 4.530 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc2ccc(F)cc2s1 1307163339 DVWFZOHQSRAOAM-DGCLKSJQSA-N 290.407 4.982 30 10 CJEE C=CCCCC[C@H](C)NC[C@H]1CCCC[C@@H]1CC 1308792240 OOTUXALWFFFPQI-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C)s1 1439848335 RLJAYVZHKDIJHE-ZDUSSCGKSA-N 291.460 4.616 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1SC(F)F 1440657380 FKXCSDLPVUMCDT-UHFFFAOYSA-N 285.359 4.542 30 10 CJEE C=CC[C@H]1CCN1C(=O)c1csc(C2CCCCC2)c1 1456850498 KGGNAAWWKFZQCS-HNNXBMFYSA-N 289.444 4.586 30 10 CJEE C=CCCN[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1459828325 SJVDQKVPUNQZDZ-OAHLLOKOSA-N 299.389 4.631 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](C/C=C/C)C2)CCCCC1 1470788260 UGOOBSWIZTWDTB-NJELEJDNSA-N 289.463 4.718 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1525671598 LJOZRLJGGWQJFT-FGTMMUONSA-N 291.479 4.846 30 10 CJEE C=CCCCCNC(=O)c1cccc(Oc2ccccc2)c1 1538065466 JTUQJFMOXMCCKV-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=CC[C@@H]1N(C(=O)C2CCCCCC2)CCCC1(C)C 1538657701 QCWKXFQKVHEULN-INIZCTEOSA-N 277.452 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)CCc2cccc(C)c2)c1 1539121176 BBXWFYOQGGPYCC-UHFFFAOYSA-N 279.383 4.599 30 10 CJEE C=CCC1(CNC(=O)c2cccc(Cl)c2C)CCCC1 1544643006 VIADHYRPMLZVJB-UHFFFAOYSA-N 291.822 4.515 30 10 CJEE C=CCCCN(CC)CCCc1ccccc1Cl 1560204448 LLMVMRJBMACPOV-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE C=CCCCC[C@@H](C)Nc1cnn(C2CCCC2)c1C 1560792573 OBYAQKXMVUAIMM-CQSZACIVSA-N 275.440 4.853 30 10 CJEE C=C(C)c1cccc(NCc2cccc(CC)c2O)c1 1561039364 QAQDVAAZJHAVOR-UHFFFAOYSA-N 267.372 4.600 30 10 CJEE C=C(C)CCN[C@@H](Cc1ccccc1)c1cccs1 1617096242 NZWUAKATPDKBSX-INIZCTEOSA-N 271.429 4.588 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc(C)c(Cl)cc1C 1625512294 BXXCOYLWZHIAPM-UHFFFAOYSA-N 293.838 4.679 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1CC1CCCCC1 1631514774 AIFVTNQGXMIFQH-QGZVFWFLSA-N 277.452 4.550 30 10 CJEE C=CC[C@H](Cc1ccccc1)Nc1nc2cccc(F)c2o1 1642789510 OFTSQPYWPKBHNT-CQSZACIVSA-N 296.345 4.566 30 10 CJEE C#Cc1cccc(N(CC/C=C\C=C)Cc2cccs2)c1 1644883320 OJQACQKMEJPRLH-WAYWQWQTSA-N 293.435 4.868 30 10 CJEE C=CCC[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1 1645079848 ICUXEDBCSIMKRL-RBUKOAKNSA-N 299.458 4.633 30 10 CJEE C#CCC1(NCc2cc3cc(C)c(C)cc3o2)CCCCC1 1651609917 QCQRLWUOJHSXHV-UHFFFAOYSA-N 295.426 4.865 30 10 CJEE C=CCC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 1651664219 GMKTVMLJTZQKLW-KRWDZBQOSA-N 282.343 4.714 30 10 CJEE C=CC[C@H](C)Sc1nnc(-c2cc3ccccc3o2)o1 1651845841 PBRWJBVVXQPQPK-JTQLQIEISA-N 286.356 4.540 30 10 CJEE C=CCN(Cc1ccccc1F)Cc1ccsc1Cl 1652333600 VENGDTNTDIENIK-UHFFFAOYSA-N 295.810 4.729 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CC2(CCC2)Oc2ccccc21 1653098378 YAZJRWDGPJJTBH-RDJZCZTQSA-N 285.431 4.767 30 10 CJEE C#CC[C@H]1CCCN([C@@H](CC)c2ccc(Cl)cc2)C1 1654837705 ISBLDLPAEPJGTE-YOEHRIQHSA-N 275.823 4.526 30 10 CJEE C#CC[C@@H]1CCCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 1659142128 BJUKCSFZRAEWTK-QWHCGFSZSA-N 296.241 4.790 30 10 CJEE C=C(C)c1cccc(NC2CCC(C(F)F)CC2)c1 1660850351 QTBRHFDAGYEZOE-UHFFFAOYSA-N 265.347 4.956 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1664775896 GWQWXMRKQONNQI-NVXWUHKLSA-N 277.839 4.922 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1(CC2CC2)CC1 1885229071 QBYRQPGVJIOVRF-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNCCC)CCCC(C)(C)C1 1887465684 VWMITFUZVNYESU-AEFFLSMTSA-N 263.469 4.622 30 10 CJEE CCCCCCCCC[C@@]1(F)CCNCCC1(F)F 1888062016 AZTHJJBUVYPPFA-CQSZACIVSA-N 279.390 4.854 30 10 CJEE CO[C@H]1CCC[C@](C#N)(Cc2cc(Cl)cc(Cl)c2)C1 1893176575 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287.881 4.655 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cscc1C(F)F 2304086991 WPHRCAKKQUKMSE-CYBMUJFWSA-N 258.333 4.861 30 10 CJEE O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccsc1 2306255441 SJOWVLRBBUVPRV-UHFFFAOYSA-N 297.404 4.768 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@H](C)CC)cc1 2313686791 QBRYBQJYFDUJEJ-ZIAGYGMSSA-N 263.450 4.631 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C[C@@H](SC)C1 2314270152 VFSOYPCPEJWJPX-OWCLPIDISA-N 269.498 4.633 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1cc2cscc2s1 2315456631 UTULTXPZSFTDHL-BXUZGUMPSA-N 277.458 4.797 30 10 CJEE C=CCC[C@H](C)[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2318603239 IZFQWIJKPWVYRZ-NHYWBVRUSA-N 286.246 4.856 30 10 CJEE Fc1cc(CC[C@@H]2CCC[C@@H]3O[C@@H]23)c(Cl)cc1Cl 2325258136 HIPUDMJRLIRBPK-YZMDESFKSA-N 289.177 4.633 30 10 CJEE C[C@@H]1CC=CC[C@H]1COC[C@](C)(CS)C(C)(C)C 2327099554 JEVDVFVCPGGUGZ-IJEWVQPXSA-N 270.482 4.588 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F)C(C)(C)C 2329632271 JEULZHZQMQBYJC-OUCADQQQSA-N 277.374 4.545 30 10 CJEE 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DRRDLRZJJYQLGO-SUMWQHHRSA-N 284.790 4.646 30 10 CJEE Cc1ccc(OCCC[C@@](C)(C#N)c2ccccc2)cc1 57687450 REYUJZUTMHNKAL-IBGZPJMESA-N 279.383 4.636 30 10 CJEE CCC(C#N)(CC)CCOc1cccc2ccccc12 57714483 KDEOXUBNKVMLCW-UHFFFAOYSA-N 267.372 4.939 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccccc1OC 59055538 NPUSJVPEUAADQC-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE CCCCCCCCN(Cc1ccccc1N)C1CC1 59267414 ITIADLQDZWJYST-UHFFFAOYSA-N 274.452 4.594 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(c1)C[C@H](C)O2 59284763 SNOBBQVXTMRZGP-WMLDXEAASA-N 275.436 4.631 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2cn[nH]c2c1 59474354 MOYGQDGRXHSLCP-CYBMUJFWSA-N 259.397 4.724 30 10 CJEE CC(C)c1nc(-c2ccc(Cl)cc2)sc1CC#N 82429696 IIFBCTDFRZXCGE-UHFFFAOYSA-N 276.792 4.653 30 10 CJEE Cc1cccc(-c2nc(C(C)(C)C)c(CS)s2)c1 82439133 GVXSRRRLAOZVHM-UHFFFAOYSA-N 277.458 4.846 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2OC)C1 87996919 MIVRIYQTXNIFQU-LRDDRELGSA-N 277.795 4.611 30 10 CJEE C[C@@H]1CCCC[C@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 91876116 DZEHCVNVQQBVQC-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CC(C)CN(CC1(CS)CCCCC1)C1CCCC1 94853833 FDSLPQVBPXONTM-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CCCCCCCO[C@@H](c1cccs1)[C@@H](N)CC 103454444 TXMVBEYSVLPFPF-DZGCQCFKSA-N 269.454 4.514 30 10 CJEE CCCCCCCC[C@]1(N)CCc2ccccc2C1 104147367 NXKRIAVPIUAJCY-SFHVURJKSA-N 259.437 4.623 30 10 CJEE CCCCCCCCOCCCC[C@](C)(C#N)NC(C)C 106113101 OYKJRMSFRHHWOO-GOSISDBHSA-N 296.499 4.814 30 10 CJEE Clc1cc(Cl)c(Cl)c(CC[C@H]2CO2)c1Cl 107502720 BNXPQUWDBXABOR-YFKPBYRVSA-N 285.985 4.632 30 10 CJEE CCCCCCCCCN1CC[C@@H](NC)c2ccccc21 114429798 ZZXWXCOCCSWNNF-GOSISDBHSA-N 288.479 4.908 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)cc(F)cc1F 115064620 SALUXKDGRWQVNN-AWEZNQCLSA-N 274.326 4.888 30 10 CJEE CCCCCCCCC[C@@H](CSC(C)C)NC 115644680 MIWLOHJLOXKMCC-HNNXBMFYSA-N 259.503 4.857 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CCc2ccccc21 116271963 LJRICKFWXOYDQQ-MSOLQXFVSA-N 259.437 4.665 30 10 CJEE CCCCCCC[C@H](O)CSc1ccccc1C 117435970 OVTONLIGDMGGCQ-HNNXBMFYSA-N 266.450 4.809 30 10 CJEE CCCCCCC[C@@H](NC)[C@@](C)(CC)N1CCCCC1 118163899 JQFSSYJJUUMFHN-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](NCC)[C@](C)(CC)N1CCCCC1 118164552 LFYSUYNFUBMXAZ-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCSc1cccc(NCc2sccc2C)c1C#N 127083821 SQPFTELGRIBQHQ-UHFFFAOYSA-N 288.441 4.652 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCN1 129278605 FDRPLJYIIDXHHQ-QRVBRYPASA-N 294.527 4.637 30 10 CJEE CC1(C)CC(C)(C)CC(O)(C2(C#N)CCCCCC2)C1 129933378 ZQYYNFMOKJGOMV-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CC#CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133171549 QFFKEUPGLQLNPP-BBWFWOEESA-N 277.496 4.867 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCOC1)NCCC 136011678 MOQZQCUYNDLMBU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@@H](C)OC 143459985 KMBOTSPFQKRGMN-CVEARBPZSA-N 257.462 4.660 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC1CC1 164938254 POOGOVOVCTYMMI-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC(=O)c1ccc(C)c(N)c1 166988042 LNLHIINJWSDREN-UHFFFAOYSA-N 261.409 4.901 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(Br)c1C 167698608 DPDNZALSTKMBKW-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCCC(=O)C1CCC(N)CC1 167722689 FXWIMQURRGVCNG-UHFFFAOYSA-N 267.457 4.604 30 10 CJEE C=CCCC[C@H](NCC)c1csc2ccccc12 167746762 MYXOFYXTEJLMTD-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccccc2Cl)cc1C 216686643 BKYRGQICSWUVFF-KTKRTIGZSA-N 270.759 4.853 30 10 CJEE CCCCCCCOc1ccc(CNCCC)cc1F 222112269 PGQYIEXQLCEVTD-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCC(=CC(=O)c1ccc(C(F)(F)F)c(F)c1)CC 228422506 HOXBTWLCQCAVQL-UHFFFAOYSA-N 274.257 4.774 30 10 CJEE C=CCC[C@H](C)Nc1ccc2nc(SC)sc2c1 228819443 HSCHGWNLPQHLME-JTQLQIEISA-N 278.446 4.785 30 10 CJEE CCCCCCC[C@H]1C[C@H](N)c2cc(C)ccc2O1 229106457 YJKVPMJZTLSANR-HOCLYGCPSA-N 261.409 4.506 30 10 CJEE C#C[C@@H](CCC)NC(CCCCC)CCCCC 229931548 GXURUQCFJMXARP-INIZCTEOSA-N 251.458 4.907 30 10 CJEE CC(=O)/C(C)=C/c1c(Cl)ccc(Cl)c1Cl 231745985 PBLOHIJRUPZSJU-AATRIKPKSA-N 263.551 4.639 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(F)cc1C 233545017 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386159023 KLKWHXXAKQUXGE-INIZCTEOSA-N 271.429 4.746 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2nccc3sccc23)C1 388078947 QFOKXSUZCKUCOT-LRDDRELGSA-N 270.401 4.658 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(COC)cc1 394018197 KJAHCVYIKXQXDI-OAHLLOKOSA-N 263.425 4.994 30 10 CJEE CCCCCCCCCC(=O)COCc1ccccc1 395564498 OBFFFHURZZIBHC-UHFFFAOYSA-N 276.420 4.913 30 10 CJEE CCCCCCCOc1csc([C@@H](C)NCCC)n1 396707518 LXGHVVLSHIDNEA-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C(C)(C)C)cc1 398209141 ZGNFYYMEWLXDFP-OAHLLOKOSA-N 259.437 4.819 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1c(Cl)cccc1Cl 400802799 FHHWLMCRFNZSMG-VHSXEESVSA-N 258.192 4.609 30 10 CJEE C=CCCCCC[C@H](CC(C1CC1)C1CC1)NCC 400872904 SBWYHFVIOLPMFM-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](N)CC(F)(F)c1ccccc1 401147886 VULXSPINXFPCQA-OAHLLOKOSA-N 269.379 4.856 30 10 CJEE CSc1ccc(F)c(C(F)(F)F)c1C(F)(F)F 575380455 JFVMNDIJZSCKCJ-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE CCOc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 606208309 RLHVHCVHSLEKGL-WQLSENKSSA-N 280.367 4.598 30 10 CJEE O=C(/C=C\c1ccccc1)c1csc2ccccc12 642882831 ZZMRAEIICXPUGU-KHPPLWFESA-N 264.349 4.797 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1ccco1 682803582 CXSMSWWGITYUEB-CQSZACIVSA-N 297.398 4.874 30 10 CJEE CC[C@H](C)C[C@H](C)/N=C1/NC2(CCCCC2)CCS1 687320242 CBVGATVDKUXDIL-KBPBESRZSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCC(=O)[C@]12CCC[C@@H]1OCC2 687423001 QVBWGEWRRDIYAU-DLBZAZTESA-N 266.425 4.655 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](C)CC1CCCCC1 689837766 NPPIJBDJPQCBND-LBPRGKRZSA-N 274.383 4.777 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2C[C@@H](CC)CC[C@@H]2C)C1 689936181 PPWHOJVFDSVBOE-AVEIZBFRSA-N 276.468 4.605 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1C 692191675 SXUHHLRVTOMAJQ-YOEHRIQHSA-N 277.839 4.873 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CNC[C@H]1C 695307061 MQBIBBJFJZNDNI-KURKYZTESA-N 283.500 4.514 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(Cl)c(N)c1 695741031 IMXVIIRGDZFVNT-OAHLLOKOSA-N 269.816 4.706 30 10 CJEE C=C1C[C@H]2CC(NCC(C(C)C)C(C)C)C[C@@H](C1)C2 697306129 DTUDGZHBJMKBQJ-SJPCQFCGSA-N 263.469 4.639 30 10 CJEE CCCCCCCCCNC(C)(C1CC1)C1CC1 701116596 HCFULGKRSLEWBM-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2ccncc2c1 702667434 XOZGYPNEWYPKHD-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccccc1Br 704917720 QUFSQEVTCMBBFI-DYEKYZERSA-N 292.220 4.883 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCCCC[C@H]2CC)CC1 709154171 WYEMSMWQPCRILX-FPQWYMTMSA-N 277.452 4.818 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(OCCC)c1 710592033 RFZAFIOROWQQQZ-MRXNPFEDSA-N 281.827 4.659 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NC 712959817 DDPIAJRAZMEQTB-ZACQAIPSSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CC(/N=C2/NC3(CCCCCC3)CS2)C[C@H](C)C1 713212313 BJOSKQATAYMATE-YIONKMFJSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](C)[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715706861 USIRTOMYSAAHRB-MRAZXXJXSA-N 275.480 4.913 30 10 CJEE C=CCCCCC[C@H](NC)c1c(F)ccc(F)c1F 716435133 DMIWEWSOBWCTAS-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)[C@]2(C)CC2(C)C)CC1 717117016 ZUDGEQGJPXKWSA-HGDQPMEPSA-N 277.452 4.530 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1Nc1ccc(C#N)cc1Cl 717556251 URTHAPVZASCPNH-IAQYHMDHSA-N 276.811 4.838 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@H]3C[C@@H]3C2)CC1 724557261 CPZGTDYMHZYNNB-MANSERQUSA-N 275.480 4.927 30 10 CJEE CCC1(C/N=C2/N[C@@H](C3CCCC3)CCS2)CCCC1 725085508 QBBDPGAGZJHITG-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE N#CCc1cc2cc(C(F)(F)F)c(C(F)F)cc2s1 725277506 DRXCOLOUKFPXQP-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE C#Cc1ccc(CN[C@H](CC(C)C)c2cccs2)cc1 809608893 XLBSXGQGEFUEOY-QGZVFWFLSA-N 283.440 4.606 30 10 CJEE CCOc1ccc(N=Cc2c(C)cc(C)cc2C)cc1 1083962975 RQFTXMPGECWPCJ-UHFFFAOYSA-N 267.372 4.761 30 10 CJEE C=CCCCC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1134153743 ADBKFTMDFPYZCE-CYBMUJFWSA-N 271.404 4.766 30 10 CJEE C#CCCCCCCS[C@H]1CCOc2ccccc21 1188951863 HATUCPXOBVWZEQ-KRWDZBQOSA-N 274.429 4.827 30 10 CJEE C=CC(C)(C)CCCNCc1ccc2ccccc2c1O 1207449365 XQAAXQBYLUXCSY-UHFFFAOYSA-N 283.415 4.627 30 10 CJEE C#Cc1ccc(NC[C@H](C)c2ccc(C)cc2)c(Cl)c1 1207705080 WSKYBPDSNNHIIJ-AWEZNQCLSA-N 283.802 4.845 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc2cccnc2c1 1210056392 UJIUQARHTJJNQT-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE Cc1ccc(Nc2ccc3nc(C)sc3c2)c(C#N)c1 1210566600 KLMWLFPYARIYIY-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE C=CC(C)(C)CCCNC(=O)NC(C)(C)C1CCCCC1 1248440567 YAPOBDUEJLRPLM-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=CC[C@H](C)NC/C(C)=C\c1ccccc1C(F)(F)F 1308270742 NQTURBIJKDJZQV-UKVQZPPCSA-N 283.337 4.663 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc(SC)cc1 1310049578 UDDPWZSZWYDHNZ-UHFFFAOYSA-N 292.448 4.522 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H]1CCCC[C@H]1CC=C 1313001245 IILAMMNNEAKJQC-IAGOWNOFSA-N 292.467 4.509 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 1353569335 GJYAYDYVKGXWJF-IBGZPJMESA-N 287.447 4.665 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccccc1CC(C)(C)C 1435674585 ITXUWKRDPKLZCB-HNNXBMFYSA-N 287.447 4.750 30 10 CJEE C=CCCC1(CNCc2ccc(Cl)cc2O)CCCC1 1462432102 XIFJOESGCOTOOI-UHFFFAOYSA-N 293.838 4.662 30 10 CJEE C=C[C@@H](C(=O)N[C@@H](C)c1cc(C)sc1C)c1ccccc1 1464094646 KHSUEARQSYLFBR-XJKSGUPXSA-N 299.439 4.512 30 10 CJEE C=CCC[C@H](NC(=O)N[C@@H](CC)CCC)c1ccccc1 1468434546 MCIWMXOMIJWKDX-IRXDYDNUSA-N 288.435 4.572 30 10 CJEE C=CC[C@@H](C)Sc1nc(-c2ccccc2)cs1 1472931113 SXIFKNPGLKVIJT-LLVKDONJSA-N 261.415 4.867 30 10 CJEE C=CC[C@H](C)N1CC=C(c2ccccc2C(F)(F)F)CC1 1473237665 KMVSVJHITLPLIW-ZDUSSCGKSA-N 295.348 4.759 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1ccc(Cl)s1 1474178456 XHEIMUBYKHPSOS-CQSZACIVSA-N 291.847 4.679 30 10 CJEE C=CCCCN[C@H](C)CCc1ccc(C(F)(F)F)cc1 1474491018 CAJZOUSABJMIMG-CYBMUJFWSA-N 285.353 4.582 30 10 CJEE C=CC(C)(C)CNC(=O)c1csc(C2CCCCC2)c1 1521351672 KLQUUGRRKSYHHT-UHFFFAOYSA-N 291.460 4.738 30 10 CJEE C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 1524475957 VCXUFRIQRYWBPV-YJBOKZPZSA-N 287.447 4.775 30 10 CJEE C=CC[C@H](C(=O)NCC1(CC(C)C)CCC1)c1ccccc1 1525857322 KSPDVNQVSWMZCM-SFHVURJKSA-N 299.458 4.679 30 10 CJEE C=C1CCC(C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 1526594374 SQOPYQBMBCQRFV-UHFFFAOYSA-N 298.213 4.987 30 10 CJEE C=C[C@@H](CC(=O)O[C@@H](C)c1cccc(C)c1)c1ccccc1 1527935679 GMQPZSCQGMWERZ-IRXDYDNUSA-N 294.394 4.959 30 10 CJEE C=C[C@H](CC(=O)NCCCCC(C)(C)C)c1ccccc1 1528918467 CVOPRJCAMDBHDK-MRXNPFEDSA-N 287.447 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1cccc(C)c1C 1544289079 ICMMEWFGMNDCAH-QGZVFWFLSA-N 285.431 4.569 30 10 CJEE C=CC[C@H]1CCCN([C@H](C)c2ccc(Cl)cc2)C1 1559983486 SHTRPGGYHYIRNA-KGLIPLIRSA-N 263.812 4.689 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C)cc(C)c1 1584161189 KVSMSRXEPSKUMZ-UHFFFAOYSA-N 287.447 4.950 30 10 CJEE C=CCCCCCCNC(=O)c1cccc2c1CCCCC2 1587021323 JLFPAMFMEMDGJJ-UHFFFAOYSA-N 299.458 4.822 30 10 CJEE C=CCCCOc1c(C=O)cc(Cl)c2ccccc12 1613673904 IWPXKZPFKYULAH-UHFFFAOYSA-N 274.747 4.651 30 10 CJEE CC(C)(C)c1ccc(C#Cc2ccc(F)cc2)cc1 1614730942 LWEWGAWIVRVUKM-UHFFFAOYSA-N 252.332 4.523 30 10 CJEE C=CCC1(CNCc2c(F)cccc2Cl)CCCC1 1620935184 FEFGNGLHSAUNJK-UHFFFAOYSA-N 281.802 4.705 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc(CCCCC)cc1 1622766874 SLXWTLNTYMJRJP-INIZCTEOSA-N 288.435 4.896 30 10 CJEE CCCCCCCN1CCC(n2c(C)ccc2C)CC1 1641666263 IESDWUJCZJOUCU-UHFFFAOYSA-N 276.468 4.712 30 10 CJEE C=C(C)CN1CCCC[C@@H]1c1ccc(C(C)C)cc1 1642584383 RKISRWMEEJBCLJ-GOSISDBHSA-N 257.421 4.913 30 10 CJEE C=C(C)CS[C@@H](C)c1ccc(OC(F)(F)F)cc1 1643664730 KTNAJSMAVRKMEK-JTQLQIEISA-N 276.323 4.956 30 10 CJEE C#CCCCCCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 1644704116 JRQVNISDXRXGAQ-VQIMIIECSA-N 287.422 4.792 30 10 CJEE C=CCCCCOc1c(C(C)=O)ccc(Cl)c1Cl 1651798974 CRIYIBDMAWVCLS-UHFFFAOYSA-N 287.186 4.931 30 10 CJEE CCCCCCCCCOc1ccc(C#N)c(OC)c1 1651953998 XFNLBNOBSMIOSI-UHFFFAOYSA-N 275.392 4.696 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@]2(C)CCCc3ccccc32)C1 1652169654 OBOHRNYSWGWBPX-SUMDDJOVSA-N 269.432 4.573 30 10 CJEE C=CCC[C@@H](CCC)NC1CCC(C)(N2CCCC2)CC1 1653116925 GHMVBENXFWGDNC-LMDPOFIKSA-N 292.511 4.508 30 10 CJEE Cc1nc(N[C@@H](c2ccccc2)C2CCCC2)ccc1C#N 1655095224 GDXHFOKSKADGAP-IBGZPJMESA-N 291.398 4.605 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2cccc(F)c2)s1 1662469922 SHBWJGVVHAPMPR-UHFFFAOYSA-N 289.419 4.856 30 10 CJEE CC#CCCC[C@@H](NCC)C1CC2(CCCCC2)C1 1879640565 IGSTYSBXYVXEED-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@H]1CCC 1881495535 CJUDDCRSGIFVDU-QZTJIDSGSA-N 257.421 4.501 30 10 CJEE CCCC(CCC)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 1882178467 WJAWXPJIQZIECW-ZIAGYGMSSA-N 266.234 4.685 30 10 CJEE CCCCCCCCCN=[S@](C)(=O)c1ccccc1 1883431323 BBRMZYFQPYHBPE-LJQANCHMSA-N 281.465 4.894 30 10 CJEE CC#CCCCC[C@](C)(N)C1CCC(CCC)CC1 1885355828 FHFTWBSQVMQDQZ-ABHNRTSZSA-N 263.469 4.894 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2nc(Cl)cs2)CC1 1887957986 HJOGRTTZTZSNCC-CYBMUJFWSA-N 298.883 4.974 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)CC 1889952979 DUCXORZEPYTLCU-CXAGYDPISA-N 296.455 4.740 30 10 CJEE C#C[C@H](N[C@@H]1CCCCC12CCCCC2)C(C)(C)C 1892855089 NEHIZEAPFANDIQ-JKSUJKDBSA-N 261.453 4.517 30 10 CJEE C[C@H]1CC(C#N)(Cc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 1893170381 RVUKQCMOGMUYAS-QWRGUYRKSA-N 298.213 4.633 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@@H]1C1CCCC1 1898931448 GWNWIKKVWNRGGB-WOJBJXKFSA-N 283.459 4.891 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CCC2(CC2)C1 1907092265 CSLXDXKRCOFPTM-INIZCTEOSA-N 283.525 4.911 30 10 CJEE O[C@H](CC#CC1CCCCC1)c1ccc(F)c(Cl)c1F 1912882847 QGIZFRFVDAZCJV-CQSZACIVSA-N 298.760 4.625 30 10 CJEE CCCCCCC[C@H](NCC)C1CC(OC(C)(C)C)C1 1914045361 NIIZSHDIAINNTI-JCYILVPMSA-N 283.500 4.919 30 10 CJEE CCC(CC)N(CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 1916908352 PISNFJUSAVHRBW-YQQAZPJKSA-N 278.484 4.851 30 10 CJEE C#CCCCCC[C@](C)(O)c1ccc(CC(C)C)cc1 1919638900 IYXOZAYBCVHANY-IBGZPJMESA-N 272.432 4.676 30 10 CJEE C=CCOc1ccccc1[C@@H](O)CCCCCCC 1920030179 RNGPHUIPEPUNJA-INIZCTEOSA-N 262.393 4.645 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CC[C@H]1CC1(C)C)NC 1921436996 ULRMYXWUPYPZOY-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE CCC(=CC(=O)c1cc(C)cc(Br)c1F)CC 1927542261 FROLYWRPSTZPOO-UHFFFAOYSA-N 299.183 4.826 30 10 CJEE CC(C)(CC1(C=O)CCCCCC1)C(F)(F)F 1945399746 JMKYIZVANJXOIG-UHFFFAOYSA-N 250.304 4.505 30 10 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C=C1CCC(C[C@H](O)C2C[C@H](C)C[C@@H](C)C2)CC1 2030228759 BWLZIFIMTYRYJE-CPUCHLNUSA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@@H](CC1CC(F)C1)NCC 2031637480 VTZPJLFZWQEDGC-GPANFISMSA-N 257.437 4.853 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@]1(C)CC1(F)F 2036114629 FECJVYUNWGAGME-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1CCCC(F)(F)CC1 2038147877 DCNSTYUDRGXXAQ-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE Cc1cc2sc(C(=O)[C@H](C#N)CC(C)C)cc2s1 2038894960 JYTIRWQQIDZILT-JTQLQIEISA-N 277.414 4.640 30 10 CJEE C=CCC[C@H](C)[C@@H](O)C1CCC(C(C)(C)C)CC1 2040519488 QKALDUZDWFKCPW-SLTXQBBLSA-N 252.442 4.802 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C 2040526109 NIMMIJMRGNDRQW-NXOAAHMSSA-N 251.458 4.639 30 10 CJEE N#Cc1ccc(C=CC(=O)Sc2ccc(Cl)cc2)cc1 2040588114 ZUQBHDVMUNSGQP-UHFFFAOYSA-N 299.782 4.544 30 10 CJEE CCCCCCCCC[C@]1(F)CNCC[C@H]1CC 2045254127 PQUAIQYGUGIOSQ-CVEARBPZSA-N 257.437 4.855 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(C(F)F)cc1 2045769809 KPNSIMSLYZXNLL-ZDUSSCGKSA-N 273.754 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30 10 CJEE C=CCCCCCC[C@@](N)(CC)CCC(F)(F)F 2085841227 GLKGSECSHLWTBL-ZDUSSCGKSA-N 265.363 4.963 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1C[C@@H]1C(C)(C)C 2085855175 XMLGGIWICFRHGW-HOTGVXAUSA-N 251.458 4.737 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1csc(C)n1 2086264274 QSCURAOMPTYWTG-CQSZACIVSA-N 266.454 4.758 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1[C@@H](C)[C@H]1C 2086281491 WHJIFXPVSXGHNT-VVLHAWIVSA-N 251.458 4.913 30 10 CJEE CCCCCCCCOC(=O)c1cc(C)cc(Cl)n1 2087823789 OQGLEQGQEUVOKQ-UHFFFAOYSA-N 283.799 4.561 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2089643170 NQTCYXJMIATSSB-OVWQWFNUSA-N 263.469 4.639 30 10 CJEE C=C[C@](C)(CNCC)CC1CCC(C(F)(F)F)CC1 2092656053 VTTFGNIWHHYGSR-RUXDESIVSA-N 277.374 4.547 30 10 CJEE C=CC[C@H](CC1CCC(C(F)(F)F)CC1)NCCC 2092657661 GQQAWQKSJVRPGV-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)C1 2094423125 XNCBWVYBGJYAET-VWYCJHECSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCCCCC1(O)CC(C)(N)C1 2096494311 IWELKDYINGSKHV-UHFFFAOYSA-N 269.473 4.540 30 10 CJEE C=C[C@](N)(C[C@@H]1CCCC[C@@H]1C(F)(F)F)C(C)(C)C 2098470153 DZYWYJSGXLSMRZ-OBJOEFQTSA-N 277.374 4.675 30 10 CJEE CC1(C)CC[C@@H]([C@]2(C#N)CCc3ccccc3C2)C1 2098995952 UALJIPTXGPGRGV-SJLPKXTDSA-N 253.389 4.512 30 10 CJEE Cc1ccccc1C[C@]1(C=O)CCCC(C)(C)CC1 2100866068 BJKSVGFYXHFEQA-SFHVURJKSA-N 258.405 4.713 30 10 CJEE C=CCCC[C@@H](NCC)C1CC2(C1)CC1(CCC1)C2 2100953621 UULQADMVYOPSAX-MRXNPFEDSA-N 261.453 4.681 30 10 CJEE C=CCC[C@H](C)[C@@](C)(O)c1ccc(C(C)(C)C)cc1 2102096641 PTTCJTFEFGACBG-KBXCAEBGSA-N 260.421 4.794 30 10 CJEE C[C@@H]1C[C@](C=O)(Cc2csc3ccccc23)CCS1 2103465691 RCFALFJHNASGST-WBMJQRKESA-N 290.453 4.545 30 10 CJEE C[C@@H]1CC[C@@H](CC[C@]2(C#N)CCCC(C)(C)CC2)O1 2104858265 RIWFPERCBMWKGM-HLLBOEOZSA-N 263.425 4.834 30 10 CJEE CCCCCCCCC[C@@H](O)c1nc(CCC)ns1 2107173211 SCCFRTOEVJHHSK-CYBMUJFWSA-N 284.469 4.665 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(N)cc1 2107778487 GRSPXENVDATLJX-KRWDZBQOSA-N 262.441 4.670 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cc3ncccc3s2)C1 2108724813 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CCC1=CC[C@H](C[C@H]2CCC[C@@H](C(F)(F)F)C2)C1=O 2122555834 HLKZWPIFGYZGCQ-RAIGVLPGSA-N 274.326 4.671 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2csc3c2CCCC3)CC1 2125177473 JACWRSTZEXQFEI-GFCCVEGCSA-N 274.429 4.946 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H](C)c2ccccc2)C1 2125733098 KBQNEXXSCPLESD-MAUKXSAKSA-N 257.421 4.515 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCc2ccoc21 2126610344 JLZWSGQZDMANBK-QGZVFWFLSA-N 264.409 4.944 30 10 CJEE C=CCCCC[C@H](NCCC)C1C[C@@H]2CCC[C@H]2C1 2127056161 OLCWBGGZBMEYCY-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](NC)C2C[C@H]3CCC[C@@H]3C2)CC1 2127057742 XMGQSOYZNBKPBD-NUJGCVRESA-N 261.453 4.537 30 10 CJEE CCCCCCCC1(CN)CC2(C1)C(F)(F)C21CC1 2127501209 KYYREARJOFJZMB-UHFFFAOYSA-N 271.395 4.501 30 10 CJEE C=CC1(CN[C@H](C)c2ccncc2Cl)CCCCC1 2132978417 BLALBZLWVCBGJO-CYBMUJFWSA-N 278.827 4.522 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CC3(CCCC3)O2)C1 2133052112 ZWMGSYOUEQONJJ-OWCLPIDISA-N 261.409 4.588 30 10 CJEE CCCC#CC[C@]1(N)CCCC[C@H]1C1CCCCC1 2138980453 CYNUIMZGDBNCRF-ROUUACIJSA-N 261.453 4.648 30 10 CJEE CCCCCC#CC[C@@]1(N)CCCCC12CCCC2 2138993253 HNZDIXVLCDTPBE-GOSISDBHSA-N 261.453 4.792 30 10 CJEE CCCCCC#CCOc1cccc2ccccc12 2139056147 OTJPKYWERHIQSV-UHFFFAOYSA-N 252.357 4.802 30 10 CJEE CC(C)(C)[C@H](CS)COC1CC2(C1)CC1(CCC1)C2 2140243803 CJJSMHGGVVHXTJ-ZDUSSCGKSA-N 282.493 4.708 30 10 CJEE C=CCCCCCC[C@H](NN)c1ccc(Cl)cc1C 2141923874 PWBWLOIYLSHGEF-INIZCTEOSA-N 280.843 4.679 30 10 CJEE C=CCCCCCCCCCC(=O)c1nc(C)ns1 2142398715 XHPXBYWCSICWHK-UHFFFAOYSA-N 280.437 4.726 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CCO[C@@H](C)C1 2142438829 GYFLEWGGGQPLNL-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCCNC(C)(C)COC(C)C 2142443752 LQNXEUVDZBHSFP-UHFFFAOYSA-N 269.473 4.696 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 2143608152 QGLXNRNAVCDFOJ-ZOBORPQBSA-N 289.341 4.597 30 10 CJEE N#C[C@]1(Nc2ccccc2)CCCCC[C@H]1C(F)(F)F 2144652128 VUYXLGHMIZHOEM-ZIAGYGMSSA-N 282.309 4.503 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc2c1CCCC2 2146391091 ZUFFZOGSGNFRHR-IBGZPJMESA-N 271.448 4.962 30 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4.733 30 10 CJEE CC(C)[C@]1(C)CSC(=NC[C@@H]2CCCC(C)(C)CC2)N1 2157109918 BBLVBFUUKZYYFS-PBHICJAKSA-N 296.524 4.700 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1ccc(OCCCC)cc1 2158321043 QLCNGBXMYRTNCV-MAUKXSAKSA-N 275.436 4.728 30 10 CJEE CCCCCc1ccc(N[C@@H]2CCCC[C@H]2C#N)cc1 2160467191 DPXUPALLNKIWNI-FUHWJXTLSA-N 270.420 4.914 30 10 CJEE CCCCCCCCCN[C@H]1CCC(C)(C)C[C@@H]1OC 2162087801 AAYLXCCKMSJHPW-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC(F)(F)C[C@H]1OC 2162093564 OAHWNVVRZOMDHQ-RRFJBIMHSA-N 291.426 4.528 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1CCCC[C@H]1C(F)(F)F 2163621360 OGBWTFSGDGOYOA-GHMZBOCLSA-N 296.279 4.670 30 10 CJEE C[C@@](C=O)(C[C@@]1(C)CCCCC1(F)F)c1ccccc1 2167935923 YCSXXODMPZOHGU-JKSUJKDBSA-N 280.358 4.749 30 10 CJEE C=C[C@@](N)(C[C@@]1(C)CCCCC1(F)F)c1ccccc1 2167968534 BQQSMRVHQHRJHX-HZPDHXFCSA-N 279.374 4.632 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2COc3ccccc32)C1 2168556105 LLHZHMJFQRBMCR-RDTXWAMCSA-N 269.388 4.663 30 10 CJEE CC1(C)CCC[C@H]([C@@](C)(C#N)Nc2cccc(F)c2)C1 2168592240 OGRGVOCIOAMNIG-SUMWQHHRSA-N 274.383 4.736 30 10 CJEE CN(C[C@H]1CCC2(CC2)C1)CC1(CS)CCCCCC1 2168948369 LYZBADSTQCADHI-INIZCTEOSA-N 295.536 4.769 30 10 CJEE CCCC(C=O)(CCC)CN(C)C1CCC(C)(C)CC1 2172247218 NAQLOPCRRKWYLT-UHFFFAOYSA-N 281.484 4.673 30 10 CJEE C=C([C@@H](NCCC)[C@H](O)C(CCC)CCC)C(C)(C)C 2172279906 MZSPNWLTOMZTTF-IAGOWNOFSA-N 283.500 4.534 30 10 CJEE Cc1scc([C@@H](O)[C@@]2(C#N)CCCCC23CCC3)c1C 2173626490 RALWOBXFTZYJCJ-WBVHZDCISA-N 289.444 4.653 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)[C@@]2(C#N)CCCCC2(C)C)C1 2173635411 PZTFIRCTRVUMCE-CVYDXHPNSA-N 277.452 4.674 30 10 CJEE O=C[C@]1(Cc2cc3ccccc3s2)CCCCC12CC2 2173680640 CAYAKNKOENCUQK-GOSISDBHSA-N 284.424 4.983 30 10 CJEE N#C[C@@]1(C(F)(F)[C@H](F)C(F)(F)F)CCCCC12CCC2 2175175101 DGCFEDXKRWYHGI-ONGXEEELSA-N 299.258 4.776 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1F 2175535771 UCWNOYJIYNMSDP-MGPQQGTHSA-N 285.284 4.841 30 10 CJEE CC(C)[C@@]1(C)CSC(=NCC2(C)CCC(C)(C)CC2)N1 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FVVFKMRIYVJDLW-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C(C)(C)C(C)C 2291952589 UFYWXKLXFNMDKX-HNNXBMFYSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCC1(OCCCN)CCC(C)CC1 2292783919 FWSUVEFESVEMAE-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCS[C@@H]1C 2293594766 DFVGFAZJBWRYIE-SJORKVTESA-N 299.524 4.533 30 10 CJEE O=C1CCCC1=CNc1ccc(Oc2ccccc2)cc1 2293783523 GSQOXSHKCVHGDM-UHFFFAOYSA-N 279.339 4.528 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)C[C@H](C)CC(C)(C)C1 2293880562 AOHJKGHRQUUWDA-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC[C@@H]2C[C@H]12)OCCN 2293974106 IBEIAXKSGGQKLT-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(OCCCN)c1cccc(Cl)c1 2294231201 OYHIHELUMGIPFZ-RHSMWYFYSA-N 295.854 4.523 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC12CCCC2)OCCN 2294409905 MFANJEHKCFGPLZ-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)Nc1cc(F)c(Br)cc1C 2301051607 XIHMRARKIARYKN-UHFFFAOYSA-N 298.199 4.829 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1c(C)cccc1Br 2301054935 IIMPJTBHTAAGSO-OAHLLOKOSA-N 295.220 4.559 30 10 CJEE C=CC[C@@H](C)C(=O)Cc1ccc(Cl)c(Cl)c1C 2304063129 RHMSBWXLUACIMK-SECBINFHSA-N 271.187 4.626 30 10 CJEE CC[C@@](C#N)(C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)C(C)C 2310495596 ZEAHSUSLTLNVTD-MQYQWHSLSA-N 255.352 4.634 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(C)s1)[C@@H](C)N 2313529597 RATRBLOROAMQER-IUODEOHRSA-N 281.490 4.699 30 10 CJEE C=CCC(CC=C)N[C@@H]1C[C@@H](C)Sc2sccc21 2313645624 RGYVTMXOKNEFFP-BXUZGUMPSA-N 279.474 4.784 30 10 CJEE C[C@@H](CCSc1cc(Cl)c(C#N)cc1F)C(F)F 2316774069 FFGCAIGLXLYTAP-ZETCQYMHSA-N 293.741 4.734 30 10 CJEE CCCCCCCCCC[C@@H]1CCC2(CNC2)C1 2317575071 AEQJNWPNCINPTR-MRXNPFEDSA-N 251.458 4.907 30 10 CJEE C=CCC(C)(C)[C@H](CCCC[C@@H]1C[C@@H]1C)NCC 2321108449 POHKMDKHJVKGNK-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1csc(C(F)(F)F)c1 2321166872 KEAVMYZOYZYKMV-GFCCVEGCSA-N 276.323 4.942 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1CC(C(C)(C)C)C1 2321221564 AXJGXOFQHGHEFC-UMPYDWHISA-N 252.442 4.802 30 10 CJEE C=CCC(C)(C)[C@H](O)c1c(Cl)ccc(Cl)c1OC 2321224766 SYGUKORTFXHSPB-CYBMUJFWSA-N 289.202 4.638 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1OC 2331736853 GKASOHBGWSDOQU-BRWVUGGUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1OC)NC 2331742661 UKFFPVNAFCDONQ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCN1C[C@@H]2C[C@H]1C(F)(F)C2 2332413722 HGPVCXSOMACBKK-CABCVRRESA-N 273.411 4.857 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2 2334657584 CRKDYYDFEPFBEX-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)NC[C@@H]1C[C@H]2CCCCCC[C@H]21 2338727454 LCZCXQKQNSMIOC-SOLBZPMBSA-N 261.453 4.703 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCC(F)(F)C1 2339249924 GCSLRVMZJLDGSE-TUVASFSCSA-N 265.347 4.698 30 10 CJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(SC)s1 2339548521 ZUJOKPKABMDNRY-OLZOCXBDSA-N 293.501 4.560 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCCCC1(F)F)NC 2344347643 CWBHLJRKHYKAKX-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@@H](CC(C)(C)c1ccccc1)NCC 2344384258 VUQAGMBNFJUQHW-DOTOQJQBSA-N 259.437 4.545 30 10 CJEE CCCCCCc1ccc(C[C@@H]2CC[C@H]3O[C@H]23)cc1 2353121851 MPJBIYSCLLBRDZ-RCCFBDPRSA-N 258.405 4.529 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(F)cc2SC)C1 2353818772 NKNKHWBNRWFQGQ-HNNXBMFYSA-N 279.424 4.555 30 10 CJEE Cc1ccc(-c2nc3ccc(C)cn3c2[C@@H](C)C#N)c(C)c1 31915796 QYOMJWHDFVFNDQ-HNNXBMFYSA-N 289.382 4.554 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(F)c1C#N 36138609 SSFCTFJJLJTYJG-PBFPGSCMSA-N 274.383 4.570 30 10 CJEE N#Cc1ccccc1NCc1ccc(-c2ccccc2)s1 37202995 HSPFJONMVXDMSZ-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(F)cc1F 37333923 UAVYWERQNPFWLT-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2ccc(F)cc2)cc1 41385507 NIXKNYNYVPYIPE-QGZVFWFLSA-N 267.347 4.799 30 10 CJEE Cc1ccc(-c2sc(C#N)c(N)c2-c2ccccc2)s1 44273966 RBMJSXIJRDFPPJ-UHFFFAOYSA-N 296.420 4.906 30 10 CJEE CCCCCCCCOc1ccc(F)cc1[C@@H](C)N 59087988 YSHIILGKJYZJIN-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(N(C)C)cc1 59090277 FYBOWIIHYVXASF-MRXNPFEDSA-N 276.468 4.591 30 10 CJEE CCCCCCCCO[C@@H](C)C(=O)c1ccc(F)cc1 59526330 AHFSIDUQGHXBLQ-AWEZNQCLSA-N 280.383 4.774 30 10 CJEE Cc1ccc(Sc2cc(C#N)c3ccccc3n2)c(C)c1 68796750 ZASSEWTXUCDPBR-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE CSc1cccc(Nc2cccc(Cl)c2C#N)c1 70138297 FHXBVWSFMCVMEJ-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CCCOc1ccccc1-c1cc(CC#N)c(C2CC2)o1 77083378 IUMRKALCXMUODW-UHFFFAOYSA-N 281.355 4.679 30 10 CJEE CCOc1cccc(-c2cc(CC#N)c(C(C)(C)C)o2)c1 77085136 YSNSVYVOLYDDNX-UHFFFAOYSA-N 283.371 4.709 30 10 CJEE N#Cc1cc(N[C@@H]2CCC[C@H](C3CC3)C2)ccc1Cl 81631882 LCFQVWZHEKVPJX-GXTWGEPZSA-N 274.795 4.592 30 10 CJEE CC[C@H](C)c1ccccc1OCC[C@@H](C)CCS 94583196 WHVSMEWSFSBFKY-KGLIPLIRSA-N 266.450 4.925 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)C2(C)CCCC2)cc1 94902738 YSBAXVMHMIGOCZ-INIZCTEOSA-N 269.388 4.567 30 10 CJEE CCCC[C@H](CC)/C(=N\O)[C@@H](O)[C@@H](CC)CCCC 100050535 SLCANKHLTWZHRV-CLRCXASVSA-N 271.445 4.610 30 10 CJEE CCCCCCCOc1cccc(NC(=O)C2CCC2)c1 100455037 ZEKCSNCVXGSOND-UHFFFAOYSA-N 289.419 4.774 30 10 CJEE CCCCCCCCNCCSc1ccccc1 105840154 QQPCPIBFLPNCDB-UHFFFAOYSA-N 265.466 4.729 30 10 CJEE CCCCCCC[C@]1(CNCC)C[C@@H]2CC[C@@H]1C2 110195442 RSCNUJCLINTRRB-BRWVUGGUSA-N 251.458 4.763 30 10 CJEE CCN(c1ccc(F)cc1)c1ccc(Cl)cc1C#N 110257799 GPGOFNCQFKGKDD-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1 110263090 LKUZRHALEYPMLU-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C 114064467 HXIYUBYANFZWCH-MOPGFXCFSA-N 296.543 4.691 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](C)c1ccncc1 117684579 MVBGDBHKLJIFRN-SJLPKXTDSA-N 276.468 4.914 30 10 CJEE CCCCCCCCCCn1ccc([C@H](C)NC)c1 118239844 DLDNZLJJPIQGOJ-INIZCTEOSA-N 264.457 4.909 30 10 CJEE CCCCCCCn1ccc([C@@H](NCCC)C2CC2)c1 118249240 BKTJXUFRULQHKF-SFHVURJKSA-N 276.468 4.909 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](CCC)OCC 122398057 NTLNTSAGIDJTHA-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccccc1)NN 125745925 KMKFBFHDOQIUHI-SFHVURJKSA-N 276.468 4.592 30 10 CJEE CC(C)(CNc1ccc(C#N)cc1Cl)c1cccs1 126018265 UQADXNVWXHTWMV-UHFFFAOYSA-N 290.819 4.663 30 10 CJEE C=C(CNc1ccc(Cl)c(F)c1)c1ccccc1 134360706 YCHCPGAMPSZRCR-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1ccc(Cl)cc1Cl 158808999 ZKISTFRDFPZXEB-OAHLLOKOSA-N 286.246 4.726 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1cc(F)ccc1Cl 158916145 WFDHZRVXNFALIW-INIZCTEOSA-N 283.818 4.602 30 10 CJEE CCn1c(-c2cccc(C)c2Cl)nc2cc(C#N)ccc21 160476637 NVWBKBOAFLYCQM-UHFFFAOYSA-N 295.773 4.557 30 10 CJEE CCCCCCCCNc1cc(C(F)(F)F)ccn1 161072086 FQGLRPWXKRHPAJ-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE C=CCCN[C@@H](C)c1ccc(-c2ccccc2)cc1 161742182 BDODOAZIIZQXLV-HNNXBMFYSA-N 251.373 4.580 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 162788244 ZEAWEVCTINWUBN-DOTOQJQBSA-N 290.838 4.516 30 10 CJEE C=CCC[C@H](NCCC)c1csc(Br)c1 163405573 XYBKLWSEYXHZJY-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCC(O)(CCC)C1(C#N)CCCCCCC1 165718526 RMWUWIJYSBUDCX-UHFFFAOYSA-N 251.414 4.572 30 10 CJEE N#C[C@@H](Sc1ccccc1Cl)C1CCCC1 167878138 CBYXPFKKYNJXPA-CYBMUJFWSA-N 251.782 4.514 30 10 CJEE Cc1cc(O/C=C\C(=O)c2ccc(F)cc2)ccc1Cl 209916506 ODWACLOJKWUGOR-HJWRWDBZSA-N 290.721 4.563 30 10 CJEE CCCCCCCCCN1C[C@@H](C2CC2)NC[C@]1(C)CC 250800591 CNWRLYUHNDWPKT-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NCC12CCCC2 250828038 OVOBUFITAVTMSC-QZTJIDSGSA-N 294.527 4.590 30 10 CJEE C[C@@H]1CC[C@H](OC[C@H](CS)c2ccccc2)C[C@H]1C 251669803 GKEUBZXWQNAYFS-SRABZTEZSA-N 278.461 4.541 30 10 CJEE N#C[C@@]1(Cc2csc3ccccc23)C[C@H]2CC[C@H]1C2 252831398 YGZMMGMEOXHJCI-JDFRZJQESA-N 267.397 4.774 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)C3=CC(=O)O[C@H]3C(C)(C)CC[C@H]2C1 257435474 HJTIEBXNTWYKEY-QVSURHGTSA-N 288.431 4.657 30 10 CJEE biogenic C=CCCCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 300277894 DRYLRRKMSTWFIE-ADHGMGHFSA-N 281.484 4.551 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCO[C@H]1CC 300588223 DGEJQAMWTHHMKN-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=C([C@H](NC)[C@H](c1ccccc1)[C@@H](C)CC)C(F)(F)F 312875540 UBZUSZVVMBQHHD-CQDKDKBSSA-N 285.353 4.523 30 10 CJEE CC(C)Cc1ccc([C@]2(C)CCC[C@@H](CC#N)O2)cc1 312996134 YFGXUZSJERBMNT-ROUUACIJSA-N 271.404 4.583 30 10 CJEE C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)c2ccccc21 313544305 RAYFIIQDJUNWJV-PIGZYNQJSA-N 282.774 4.872 30 10 CJEE CC(C)(C)c1csc(CC2(C=O)CCCCCC2)n1 316788004 QSHNLRUPDCRSEB-UHFFFAOYSA-N 279.449 4.523 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CCCC2(F)F)C1 317334649 QOVARDSSTKZIRY-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE Cc1cc2ccccc2nc1[C@]1(C#N)CCC[C@H](C)C1 380571666 IBFQUVZZGZUZDU-SCLBCKFNSA-N 264.372 4.515 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](C)[C@@H]1CC 383948768 SKFAPOOZWJOLCR-KURKYZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)OC(C)C 384100510 IFHBYWSWOVQIAY-HNNXBMFYSA-N 258.446 4.692 30 10 CJEE N#C[C@@]1(CCC2=CCCCC2)CCc2ccccc2C1 385064501 VCISKOUKUDQXIQ-IBGZPJMESA-N 265.400 4.966 30 10 CJEE C=CC(C)(C)CN[C@@H](c1ccc(Cl)cc1)C1CC1 385217460 RCPXXWOQPQSWGK-OAHLLOKOSA-N 263.812 4.593 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 388525268 VMGJOTXGTAWOJB-MDMSPXHWSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(C(F)(F)F)cc1 393736799 CFFLPLDCGQUIFZ-BXUZGUMPSA-N 271.326 4.711 30 10 CJEE C=CCCCNc1ccc2ccccc2c1Br 396955069 BGDJTTSEVXAJJR-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C[C@@H]2C1 403603393 HDNSMJYOFIHRGS-QZWWFDLISA-N 252.442 4.924 30 10 CJEE C=CCCCCC[C@@](C)(CNC1CC1)c1ccccc1 405582340 ZFIVELUIQOCTKD-IBGZPJMESA-N 271.448 4.833 30 10 CJEE C#CCCCCC[C@H](NCC)c1csc2c1CCCC2 686687815 YCFNBEYXQNGQQC-KRWDZBQOSA-N 289.488 4.861 30 10 CJEE CCc1cc(C)cc(CC)c1Nc1ccccc1C#N 690236683 KTTGIWNEILPHJW-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE N#CC[C@H](Nc1cc(Cl)cc(F)c1F)c1ccccc1 690989338 XRWRKSUCWIRMKY-ZDUSSCGKSA-N 292.716 4.685 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccc(F)cc1Cl 695714597 VNAPWSBXAZJCFF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1cc(C)cc(CS[C@H](C)CC(C)(C)C#N)c1 695880532 JQBHXVFLMYAFIV-CQSZACIVSA-N 261.434 4.865 30 10 CJEE CCCCCCCC[C@@H](Cc1nnc(C)s1)NCCC 698859535 SXGYPRUJDDUUNQ-HNNXBMFYSA-N 297.512 4.508 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 701012193 LLWLEBWOTPUTCJ-NCOADZHNSA-N 269.473 4.529 30 10 CJEE C=CC(C)(C)CCNc1ccnc2cc(Cl)ccc12 701875767 BCDZUUIYAFOCBC-UHFFFAOYSA-N 274.795 4.902 30 10 CJEE C=CC(C)(C)CCNc1c([N+](=O)[O-])ccc(Cl)c1C 701881260 MQUIBKSFJITYOU-UHFFFAOYSA-N 282.771 4.571 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc(Cl)c1C 702670873 PKKWEBBBLUOZLD-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCC(CS)(CCC)CN1CCCC[C@@H](C)C1 703280493 IBGNRQCFBQHBEY-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE Cc1cccc(S[C@H](C#N)[C@H]2CCCC[C@H]2C)c1 704931146 YTUIBNLATQLFEW-VNQPRFMTSA-N 259.418 4.806 30 10 CJEE C=CC[C@H](C=C)O[C@H]1CCCCCCCCCC[C@H]1N 705998733 NDCGBQGXFJKRDH-KSZLIROESA-N 279.468 4.744 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC/C=C/c1ccccc1 709336258 ZDDVUOPDOCLQNS-MGHWBQQZSA-N 269.432 4.814 30 10 CJEE CCCC1(/N=C2/NC3(CCCCCC3)CS2)CCCC1 713249963 WFZLMXLRMVYZTP-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE C=CC[C@@H](C)[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715705182 MCSIWIWYXOFDMD-VWPCXCKMSA-N 261.453 4.523 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1/N=C1/N[C@@H](C(C)(C)C)CCS1 717525653 QVMOMBVZTDAOHX-HZSPNIEDSA-N 296.524 4.698 30 10 CJEE CC[C@@](C#N)(CCCSCC(C)(C)C(C)C)NC1CC1 718870732 VFIVRFAIEUTVRN-KRWDZBQOSA-N 296.524 4.606 30 10 CJEE CCCC1CCC(C#N)(C[C@@H](COC)C(C)C)CC1 721763422 SLUDOFYKDOJIAF-CGZBRXJRSA-N 265.441 4.795 30 10 CJEE C=C1CCC(C[C@H](CSC2CCCC2)NCC)CC1 724542888 AUVNZUDKVOMGQX-MRXNPFEDSA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@H](O)C[C@@H](C)CC(C)(C)C)CC1 724553487 SHKJYSZWBZCBFA-GDBMZVCRSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CC[C@@H](C)C2)CC1 724590515 WQCVCSWIVRBMES-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(C(F)(F)F)cc2)CC1 724605269 JMXROYUZQMDPHP-HNNXBMFYSA-N 283.337 4.842 30 10 CJEE ClC1(Cl)CCc2ccccc2/C1=N\C1CCCCC1 1088668997 RVYDQCNLTLLAQF-XDJHFCHBSA-N 296.241 4.929 30 10 CJEE C=CCCCCCCNC(=O)c1cc(C)cc(Cl)c1 1128748798 SIXQQNCMAGXNMQ-UHFFFAOYSA-N 279.811 4.515 30 10 CJEE C=CCC1(CNC(=O)CCCC[C@@H](C)CC)CCCC1 1128964060 MPHCPFDXMCNPHY-INIZCTEOSA-N 279.468 4.846 30 10 CJEE C=CC1(CC(=O)N(C)c2ccc(C)cc2F)CCCCC1 1129727256 JFOSDXLDETXGLS-UHFFFAOYSA-N 289.394 4.624 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)Oc2ccccc2)c1 1134838197 PWUREBIFAGWWBZ-UHFFFAOYSA-N 295.382 4.516 30 10 CJEE C=C(C)CCN[C@H](c1ccc(CCC)cc1)C(C)C 1168350447 HKFCRZYZJWWDCG-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C#Cc1ccc(N[C@@H](CC)[C@@H]2CC2(C)C)c(Cl)c1 1184097447 IKMJSFCSTHTGOW-JSGCOSHPSA-N 261.796 4.558 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1C[C@H](c2ccccc2F)C1 1205576543 ZOSCWICHRCMGBQ-JYJNAYRXSA-N 275.411 4.796 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@H](C)CC(C)(C)C 1265357530 FYWRWMMNXYYUTP-HNNXBMFYSA-N 267.457 4.654 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 1267824715 FZIWKTBXNKMNHH-OAHLLOKOSA-N 297.442 4.511 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1SC 1307741526 HXLMQBMMMDXYMS-UHFFFAOYSA-N 297.467 4.987 30 10 CJEE 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CCCCCCCCCCCOc1ccc(C#N)nc1 2239548245 JLAKFLLCADZWOT-UHFFFAOYSA-N 274.408 4.863 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC1CC2(CC2)C1 2240640650 SCICJUBEJSAMEX-KRWDZBQOSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@H](C)NCc1ncc(CCC)o1 2240658179 PLNJYKCMXSXRGG-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE C=CCCCCCCCS[C@H]1CCC(=O)[C@H]1C 2250038093 MJGVPUNGPRWBAR-HIFRSBDPSA-N 254.439 4.614 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1 2250900780 ANXPGIVSHLWHBO-WDEREUQCSA-N 272.219 4.856 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C)CCC2)C1 2251704170 AJJUQIUKUCXYHV-MCIONIFRSA-N 251.439 4.628 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC[C@H]2CCC[C@@H](C)C2)C1 2253999512 XUCKYHFDRATTTL-VQHPVUNQSA-N 250.426 4.988 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@@]1(C#N)CCCC1(C)C 2259129176 WTEUEPBBJPCQBI-XJKSGUPXSA-N 251.414 4.548 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC)OCCCN 2262526965 VDEJIQBPNLQQCP-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE CCCCCCCC[C@]1(F)CN[C@@H]2CCCC[C@H]2C1 2264958356 SIBPVAIKRCEVCR-GVDBMIGSSA-N 269.448 4.997 30 10 CJEE CN(C[C@@H]1CCC1(C)C)CC1(CS)CCCCCC1 2266163788 YHXBICOVDFRMRA-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1csc(C2CC2)c1 2267852892 KNHSTAILVIWMSZ-HNNXBMFYSA-N 275.461 4.716 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)CCC(C)(F)F 2268380043 LTOCXZWCYFFDSQ-IBGZPJMESA-N 295.439 4.995 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](O)CC=CC#CC(C)(C)C 2268735637 JDYAZMCSONMIMY-IXDOHACOSA-N 262.437 4.560 30 10 CJEE CCC[C@@](N)(CC=CC#CC(C)(C)C)C1CCCC1 2268749854 FLGHFIXBNIYAIG-GOSISDBHSA-N 261.453 4.670 30 10 CJEE CC[C@H]1CCC[C@](N)(CC=CC#CC(C)(C)C)CC1 2268750042 HHOUSEMKIZHFAZ-FUHWJXTLSA-N 261.453 4.670 30 10 CJEE CC(C)=CCC[C@H](C)CCOCC1(CS)CC(F)C1 2269636440 AOQOUSYOVDQLLC-FHERZECASA-N 288.472 4.824 30 10 CJEE C#C[C@@]1(N2CCCCCC2)CCC[C@@H](CCC)CC1 2270461929 WCLSZIMTFMMTNZ-QZTJIDSGSA-N 261.453 4.615 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1scc(C)c1Cl 2273966427 PJZFUKLWUMILLI-AWEZNQCLSA-N 295.879 4.944 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H](C)CC(C)(C)C 2273971527 MPONDUKOEPKLSG-RDJZCZTQSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCNCC#CC1CCCC1 2274118164 OIQZVQRXJFIDKZ-UHFFFAOYSA-N 263.469 4.910 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCC1(C)C 2276306876 YMTMPRFSPWHECY-CVEARBPZSA-N 269.473 4.517 30 10 CJEE C=C(C)CC[C@@](C)(CCCCCCC)OCCCN 2277023578 PLLHIUKAAUWSHQ-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C[C@H](N(C)CCCCCCCS)[C@]12CCCC[C@@H]1C2 2277509720 RAKKBJFRQFIKRM-GVDBMIGSSA-N 283.525 4.767 30 10 CJEE CCCCCC#CCC(=O)c1ccc(C(F)(F)F)s1 2277674071 LGUAFGVIEDGURH-UHFFFAOYSA-N 288.334 4.923 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@H](C)CC 2278245774 WRBFZVWIXHYVOK-IKGGRYGDSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)[C@@H](C)CC 2278251102 UFMBGEWONBNYDJ-GVDBMIGSSA-N 271.489 4.512 30 10 CJEE C=C[C@H](C)C[C@@H](CC1(C)CC(C(F)(F)F)C1)NCCC 2279507801 HGNLNDYFPKOXGD-LQULJDIASA-N 291.401 4.936 30 10 CJEE CC1(C)CC[C@](C#N)(CC[C@@H]2CCCCC23CC3)C1=O 2279737168 NQZWEGSOMWVVIH-KSSFIOAISA-N 273.420 4.636 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc(Cl)c1OC 2283153526 LKTVQZXJUKRQBR-CZUORRHYSA-N 295.854 4.992 30 10 CJEE Cc1cc(C)c([C@@H](N)CC=CC#CC(C)(C)C)cc1C 2284099046 OBRXXJORGPIJNJ-SFHVURJKSA-N 269.432 4.607 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCC[C@@H]1C(C)C 2284156692 APVQLUMMELFUAO-KZNAEPCWSA-N 275.480 4.643 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1C[C@@]1(C)COC 2284632233 ZLDZHZSMHLBCJO-ROUUACIJSA-N 283.500 4.732 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C)n1C(F)F 2284764088 AHMSDNHCALOSRO-CYBMUJFWSA-N 287.398 4.727 30 10 CJEE C#CCCCCOc1cc(C)c(Cl)cc1[C@H](C)NCC 2286454465 WUMIKELVVOEMLA-AWEZNQCLSA-N 293.838 4.501 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1cc(F)cc(F)c1 2287070654 GDTSFPQFVWNLBM-MRXNPFEDSA-N 299.430 4.705 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccc(COC)o1 2287374886 JMPMIZZIAZDSOT-MRXNPFEDSA-N 279.424 4.603 30 10 CJEE C#Cc1ccccc1CNCC[C@@H](C)CCCC(C)C 2287913937 AJYTULHTKUDGMA-KRWDZBQOSA-N 271.448 4.610 30 10 CJEE C=CCCCCCCCOCC1(N)CC(C(C)(C)C)C1 2289826699 KKRXJEUVUDLEOE-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@@H](CCCC1CC1)OCCN 2292643158 XQTNZDWVVIFQJN-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)c1scc(C)c1C 2292698363 GVFXHLZZFREVHI-AWEZNQCLSA-N 296.432 4.644 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)C(C)(C)C1CCCC1 2293111279 KVDNSVXNZNAKFH-RDJZCZTQSA-N 281.484 4.539 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)C[C@H](C)CC(C)(C)C1 2293350158 VPVVXWJGTUCHBB-RDTXWAMCSA-N 281.484 4.539 30 10 CJEE C=CC1(C[C@@](CC)(CCCCC)OCCCN)CCC1 2293521666 JIKIDBDPLSAIMB-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@H]1CCC 2293824174 CKOMFKPPGPSUKS-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCC2(CCCC2)C1 2293898610 MPHJTEHHQWYZOQ-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCCN)c1cccc(Cl)c1 2294231202 OYHIHELUMGIPFZ-WMLDXEAASA-N 295.854 4.523 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](N)C(C)(C)C1 2295538498 KVPCHZMYYLYJJY-DLBZAZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)NCCC1CCOCC1 2295691383 LDGPULKOAMSVJR-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCC[C@H](CC)CS[C@@H](C)C[C@@](C)(C#N)NC(C)C 2295709938 DSSVTXNXNRNCPF-ULQDDVLXSA-N 298.540 4.995 30 10 CJEE CCCC[C@@H](CC)CSc1cc(C#N)ccc1[C@H](C)O 2295788963 MIYKFSNWANOWNC-UONOGXRCSA-N 291.460 4.920 30 10 CJEE Cc1ncsc1C=CC(=O)c1ccc(Cl)cc1Cl 2297687445 OGRGRGDKAOTHCX-UHFFFAOYSA-N 298.194 4.654 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2CC(SC)C2)C1 2299353792 RJRZQXPKZXPFCX-XSCHDIRWSA-N 251.439 4.628 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@H]1N 2313525003 ROWKDPNLHHOJIC-NUEKZKHPSA-N 267.482 4.537 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1CC[C@H]1C1CC1 2319494729 BHAGVHNBFAOOFN-IKGGRYGDSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](C)[C@H](O)C[C@@H]1C[C@@H]1C1CCCCCC1 2321229858 ZKTAZCBWRATOTH-QMCVQRASSA-N 250.426 4.556 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2327363384 BUSMFYXSGIJWKD-LKFCYVNXSA-N 290.209 4.995 30 10 CJEE Cc1cc(Cl)c(C(=O)CC#CC(C)(C)C)c(Cl)c1 2327923758 KYEUPPLQIMUWEB-UHFFFAOYSA-N 283.198 4.924 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329199858 VOXUMUHBFJGFTO-TUVASFSCSA-N 273.411 4.616 30 10 CJEE CCCCCCCC[C@@H](CC[C@@]12CCC[C@@H]1C2)NN 2331359724 OPDSIOIHZDRANW-IXDOHACOSA-N 266.473 4.539 30 10 CJEE CC1=CCC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O 2332811780 JLMAEAAUPLDBLX-BBWFWOEESA-N 260.421 4.908 30 10 CJEE CCC=CC[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 2333311002 PMTMAFAPLCGXGK-HZPDHXFCSA-N 292.419 4.529 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]12C[C@H]1[C@H](C)C2 2333706723 VWQSOBRWUIJZBM-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2 2334756114 JEJZKIXPVFEXPN-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)c1ccc(C(F)(F)F)cc1OC 2338743333 DQXBLAXNGVDYJM-UHFFFAOYSA-N 270.294 4.950 30 10 CJEE C[C@H]1CC[C@@](C#N)(CC(C)(C)Cc2ccccc2)C1 2339448502 RETICFBDHRHKHH-YJBOKZPZSA-N 255.405 4.975 30 10 CJEE CCCCCCCOc1ccc([C@H](C)N)c(C)c1C 2340960668 ZPENJXOFBVWUCZ-HNNXBMFYSA-N 263.425 4.672 30 10 CJEE CC1(C)C[C@@H]1C#CC(=O)CCc1cc(Cl)cc(Cl)c1 2341157059 IFVKMABMHGODRA-LBPRGKRZSA-N 295.209 4.545 30 10 CJEE C=CCCC(=O)C[C@H](c1ccccc1)C1CCCC1 2342471941 SHWFQFGDLNJYHP-GOSISDBHSA-N 256.389 4.886 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C)cc1F 2344345567 WYYPHMMWRBDZET-SJORKVTESA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)NCCC 2344347625 CSXSCUJUALKHAM-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)cc1C)NCCC 2344350098 YUSFVYUQXHGQKS-GUYCJALGSA-N 279.855 4.771 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(F)c(F)c1C 2344356168 LDTOZNNCFCGGHA-BZNIZROVSA-N 267.363 4.526 30 10 CJEE CC1CCC(CN(C)C[C@](C)(CS)C(C)(C)C)CC1 2352076984 FPDKVUMQGQDLLP-VMBOVVBDSA-N 285.541 4.727 30 10 CJEE CN(CC(C)(C)C(C)(F)F)C[C@@](C)(CS)C(C)(C)C 2352315134 KGYLQCJMLNWILJ-AWEZNQCLSA-N 295.483 4.582 30 10 CJEE CSc1cc(Nc2cccc(Cl)c2C)ccc1C#N 2353831917 NMXMFYDKKULJMD-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCCCCCC[C@](C)(Sc1ccc(N)cc1)C(=O)O 2353861558 HWMTWMCESUFLOK-INIZCTEOSA-N 295.448 4.565 30 10 CJEE C#CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354883119 QQCICZXCZFDNCH-INDMIFKZSA-N 275.480 4.765 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccccc1F)[C@@H](N)CC 2360198573 KUEUEHBHGZIKNV-IRXDYDNUSA-N 293.451 4.858 30 10 CJEE C=CCC(CC=C)n1c(S)nc2cc(C(F)F)ccc21 2360206317 WFTHBLLGICIURY-UHFFFAOYSA-N 294.370 4.956 30 10 CJEE N#Cc1c(F)cccc1NCc1ccc(Cl)cc1Cl 26226989 XOXHFTAATUVUII-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=CCCC[C@H]4[C@@H]3CC[C@]21CC 34404822 MXXKGWYLIJQEBP-ZZAJFKAYSA-N 298.470 4.704 30 10 CJEE CC(C)CS[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 37156380 LJSOCNRFTKUAIX-RDBSUJKOSA-N 253.455 4.730 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1ccccn1 37766395 JZCJRPNILHEWFK-ZDUSSCGKSA-N 270.401 4.533 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(C#N)Nc1cccc(F)c1 37936960 FJILLIYWUUKNIN-RDJZCZTQSA-N 274.383 4.736 30 10 CJEE CCCCCCCCCOc1ccc(N)cc1F 59160683 XRLWSPRVRVZPAX-UHFFFAOYSA-N 253.361 4.537 30 10 CJEE CC(/C=C\c1ccc(C)cc1)=N\OC(=O)Nc1ccccc1 59505380 WHROXYKKQSHRNM-UYYLHQTHSA-N 294.354 4.633 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86880928 AVURBMOZRFKADN-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE Cc1cccc(Cl)c1Nc1ccc(C#N)c(Cl)c1 90537832 KQWXQLNYVSMZMP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2Cc3cc(C)ccc3O2)CC1 90902683 RBFPSHFMIYLFHG-RMXPPQQLSA-N 283.415 4.799 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cc(F)cc(F)c1 94826599 AGUDXCRKDNIFCF-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=C(C)C[C@H](NCCC)c1oc2ccc(F)cc2c1C 97283228 KWWNECNVPCYSDZ-HNNXBMFYSA-N 275.367 4.887 30 10 CJEE CCC[C@H](C)N(C)CCCCCCCCCS 97799237 PFOSUCJYROZTPI-HNNXBMFYSA-N 259.503 4.767 30 10 CJEE CCCCCCCCO[C@H](c1cccs1)[C@H](C)N 103454606 SPIKQAVZUZEZEY-ZFWWWQNUSA-N 269.454 4.514 30 10 CJEE CCC1(CC)CCN(c2ccc(Cl)cc2C#N)CC1 104172587 XCUYPNVMYCVVNI-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](C(C)C)CC[C@@H]1O 110023315 AAVNEFCJRNUPPV-ULQDDVLXSA-N 270.457 4.549 30 10 CJEE CCCCCCCCO[C@H](CNC)c1cccc(Cl)c1 110070333 JJJAZXVZUUHGFW-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC2CCCCC2)C1 110264156 ZGGOVHWMTRUVDT-BPQIPLTHSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCNCc1cccc(COC)c1 110917267 BBBHOKIAMWLSJK-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(C2CC2)NC[C@@H]1C 114070026 WUIVGIVRCPYZCJ-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1COc2ccccc2C1 115845528 UQDXOQBDUPOILV-ROUUACIJSA-N 289.463 4.576 30 10 CJEE CCCCCCC[C@@H](CN)N1CCCCc2ccccc21 115937105 XFBKLKAORXCOSM-SFHVURJKSA-N 288.479 4.517 30 10 CJEE CCCCCCCCc1onc(N)c1-c1cccs1 116907533 RHGSHXHZNYFEHG-UHFFFAOYSA-N 278.421 4.888 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccccc1SC 125732177 VJLGVWHZISDFKT-HNNXBMFYSA-N 263.450 4.806 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(Cl)cnn1CCC 127292699 CFHGBIBTTSLYPV-OAHLLOKOSA-N 299.890 4.958 30 10 CJEE C=CC[C@H](NCCC)c1cc2ccc(F)cc2s1 128698346 NMIMTZLJRMTOLU-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=CCC[C@H](C)Nc1cc(F)c(Br)cc1C 135227955 FVTBWIPUBOKKMK-JTQLQIEISA-N 286.188 4.663 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12 157905327 ULIYBIPWJUIKCC-UHFFFAOYSA-N 288.347 4.619 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CO[C@@H](C)C1 162365624 CYVFHPIUVKPDIC-BBWFWOEESA-N 269.473 4.530 30 10 CJEE N#C[C@@H](Sc1cccc(Cl)c1)C1CCCC1 167878559 SDUQQCPCDNMMTF-CYBMUJFWSA-N 251.782 4.514 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H](C)c1cccc(Cl)c1 203440423 PDAHFVSKSOPXCD-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE CCCCCCCCCCCc1nc2c([nH]1)CCC[C@H]2N 216857789 SLHPCTNDMVJERO-OAHLLOKOSA-N 291.483 4.819 30 10 CJEE CCCCCCCCCCCCC(=O)CC(C)(C)N 226503950 PSWYDALZPKPPMD-UHFFFAOYSA-N 269.473 4.994 30 10 CJEE C=CCCCCCOc1cc(Br)ccc1C 228338749 WULVXBIELXYBIJ-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE CC(C)C(CNc1cccc(Cl)c1C#N)C(C)C 229567616 SWYUWLNUASGLIR-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1Cc2ccccc21)NC 229733103 XKHPTHXNPWYBFB-IRXDYDNUSA-N 259.437 4.665 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cc(C#N)ccc12 232936304 UZIUDTIUPHXPHH-UHFFFAOYSA-N 268.360 4.583 30 10 CJEE CCC1(CNc2cccc(SC)c2C#N)CCCC1 232970396 ITSVVKKGTBFXHT-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(C)cc1OC 233608257 XJLJHNNWRSGTAS-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE CSc1cccc(NC[C@@H]2CCC[C@H](C)C2)c1C#N 235090065 RNMITFRVIPSKQL-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE C=CCCCCCC(=O)Cc1ccc(F)cc1Cl 236200393 YAEMXZQRWJQVFQ-UHFFFAOYSA-N 268.759 4.727 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@H]1C(C)C 250824268 MSHBNIKYIJWORR-OALUTQOASA-N 296.543 4.836 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 250853802 FGDUPAFEUYRQSE-QLFBSQMISA-N 288.822 4.982 30 10 CJEE CCCCCCC[C@@H](N)CCCCC1CCOCC1 311366727 DCUBVLYABLDKSI-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=CCSC[C@@H](NCCC)c1ccc(C(C)C)cc1 311463885 OYWQUNVFSYVZDL-QGZVFWFLSA-N 277.477 4.770 30 10 CJEE CCCCCCCC(=O)c1ccc2c(n1)CCCC2 311638748 ATFQFJGMTHLYQU-UHFFFAOYSA-N 259.393 4.504 30 10 CJEE CCCCCCC[C@]1(C)CC[C@](C)(CNCCC)O1 312037352 UIKAKGUYQCFPNR-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCNCc1c(C)cc(C)cc1C 312045061 YPMFGHIYJQESCW-UHFFFAOYSA-N 259.437 4.838 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1CCCc2sccc21 312344828 RKPSNXSZYGSQAA-GOEBONIOSA-N 289.488 4.586 30 10 CJEE CCCCCCC[C@@H](NCCC)C1(COC)CCCC1 312919761 AOUMYFWKMXKWKI-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1cc(Cl)ccc1Cl 316872811 KRMJONUHCXUCPI-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](C)[C@H]1C 379440162 QWUKEHGWOJFNHQ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1CCC 384583060 XOZDZOPDTLCGLC-GOSISDBHSA-N 276.468 4.894 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(C)c(Cl)c1 387524509 AOSZLPMNVWFMRM-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE CCCCCCCCN[C@H](C)COCc1ccccc1 390603903 ZSRPXCUULXVBRN-QGZVFWFLSA-N 277.452 4.542 30 10 CJEE C[C@H]([C@H]1CC1(C)C)N(C)CC1(CS)CCCCCC1 397867494 WOZDCJVAOFHYFV-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)Cc1ccc(Cl)cc1 398145460 BNUPIZVOGVIYJD-KBPBESRZSA-N 265.828 4.605 30 10 CJEE SCCCCCCSc1nccc2ccccc12 401492634 BHBRSWLWXLOXGP-UHFFFAOYSA-N 277.458 4.817 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403655942 KRNQOXJNESKIAI-ZACQAIPSSA-N 297.552 4.871 30 10 CJEE CC(C)(C)[C@H](/N=C1/NC2(CCCCC2)CCS1)C1CC1 687317127 REZASGMILYQSTQ-CQSZACIVSA-N 294.508 4.597 30 10 CJEE C1CCC2(CC1)CCS/C(=N/CCCC1CCCC1)N2 687319943 MDLWVTVBDACUAO-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(F)cc1C#N 691171709 WLEOMENBTYFLSP-NVXWUHKLSA-N 274.383 4.714 30 10 CJEE CC(C)(C#N)CCCC[C@@H](C(=O)O)c1cccc(Cl)c1 691777544 SGSUEYIUHMZZGZ-CQSZACIVSA-N 293.794 4.618 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCCC3(C)C)C[C@@H](C1)C2 697295247 GQSNKXSKNXHHCP-FCLJQHQZSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1nnc(C)s1 698852039 DNUVXORHMXDZDV-OAHLLOKOSA-N 297.512 4.637 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(C(F)F)c1F 701288516 PMMDKULVVFHRJY-UHFFFAOYSA-N 268.278 4.837 30 10 CJEE CC[C@@H]1CCCCN(CC2(CS)CCCCCC2)C1 703280963 KMLUWEAWCBQSGS-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE C=CCC1(NCc2ccsc2C(F)(F)F)CCCC1 704369509 QMMXORJUPZWFME-UHFFFAOYSA-N 289.366 4.745 30 10 CJEE CCc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1Cl 709247297 ICUWYFMRWKGTCM-CZUORRHYSA-N 276.811 4.787 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C(=O)O 709352050 BCWDNOBHUJSJNN-FZMZJTMJSA-N 293.794 4.585 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC 710646185 SBZRORJTUICHHZ-BNOWGMLFSA-N 257.849 4.570 30 10 CJEE CCCCCCCCCCN(C)CCCCCCN 710834726 PUKUMIVDLYSUBN-UHFFFAOYSA-N 270.505 4.578 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)NN 712969611 NPOWYBUFGDWJJC-KSZLIROESA-N 280.500 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC(C)(C)CC[C@@H]1C 713112122 QIEPIBDSZSYXAB-VVLHAWIVSA-N 263.469 4.926 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H]2CCC[C@@H]3CCCC[C@H]32)N1 714308972 GRSJMRANNOPPAT-KLZNWCGWSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[C@H](NC)C1CC(C2CC2)C1 714465185 OMWSCXRFZGOPRL-JCYILVPMSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)cc1C 715784209 HFSIEENVHIMHFA-NHYWBVRUSA-N 251.801 4.511 30 10 CJEE CCCCCCCCCC[C@]1(O)COC[C@H]1CC(C)C 716318592 ODABLQKSDWOUND-MSOLQXFVSA-N 284.484 4.941 30 10 CJEE CCCCCCCCCCNCC[C@H]1CC(C)(C)CO1 717284182 LHRYTQJCWLNEAV-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@@](C)(C#N)c1ccccc1 719637871 SJMFQWWYCVAFSR-XLIONFOSSA-N 293.410 4.711 30 10 CJEE C=CCCCN(C)c1ccc(CNC(C)(C)C)c(Cl)c1 723168276 DHLAXSOQUBIOLW-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(CNC2CC(c3ccccc3Cl)C2)CC1 724447647 YFHYPTYLFORREN-UHFFFAOYSA-N 289.850 4.922 30 10 CJEE N#CCc1ccc2scc(C(F)F)c2c1C(F)(F)F 725297091 IHQGNWVSJWCZKY-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE CC[C@H](C#N)c1ccccc1OCc1cccc(Cl)c1 725438364 OQXXTEQZLPKKRA-CQSZACIVSA-N 285.774 4.936 30 10 CJEE C=CCCCCCCCCNC(=O)C1(C)CCCCC1 1129528610 KSEUJFJSILZEPP-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2ccc(C)c(Cl)c2)c1 1134626399 GVLPUZZHVIHSKC-UHFFFAOYSA-N 299.801 4.863 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(Nc2ccccc2)cc1 1141361746 YNGLSTURSZPKIY-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CCCC[C@H](Nc1ncc(SC)cn1)c1ccccc1 1164016020 QGMRFMJRXBYSTJ-INIZCTEOSA-N 299.443 4.708 30 10 CJEE C=C(CC)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 1165643498 MSHNCLUEMJHREJ-UHFFFAOYSA-N 296.201 4.527 30 10 CJEE C=C(Cl)CN1CC[C@@H](c2ccc(Cl)cc2)C1(C)C 1176372029 CCIQEFCAIQWLIS-AWEZNQCLSA-N 284.230 4.660 30 10 CJEE C=CCCCN1CCC(c2c[nH]c3c(CC)cccc23)CC1 1190464076 DGLRZORDAXNGLE-UHFFFAOYSA-N 296.458 4.876 30 10 CJEE C=CCN(CCCCC(C)C)Cc1cccs1 1205163290 YVFGXXUHMYWASX-UHFFFAOYSA-N 251.439 4.562 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 1206644185 FQYDOWHNWKHYGT-GBJTYRQASA-N 271.395 4.535 30 10 CJEE C=CCCCCN(C)CCOc1ccccc1C(C)(C)C 1307727601 CBIIMHNEGOJCKB-UHFFFAOYSA-N 289.463 4.651 30 10 CJEE C=CCCCC[C@H](C)NCCC1CC(OC(C)(C)C)C1 1308688018 RDKSGWOUHZAAAD-GTPINHCMSA-N 281.484 4.695 30 10 CJEE C=CCCCCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1308703331 JGISKOBRCNDCGK-RWMBFGLXSA-N 283.868 4.839 30 10 CJEE C=CCC[C@H](C(=O)O[C@H]1CCC[C@@H](C)C1)c1ccccc1 1351263618 KRDXIERSTNSFEG-NJAFHUGGSA-N 286.415 4.858 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H](C)CCC(C)C)c1ccccc1 1354598156 SWLXIMJEWBQJKG-SJLPKXTDSA-N 287.447 4.677 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1435675294 LJZQTLLTDLRBGL-STTHAQSSSA-N 299.458 4.858 30 10 CJEE C#CC1CCN(C(=O)CCCCCCCCCCC)CC1 1437059446 ZSJQOQNPAUXRJZ-UHFFFAOYSA-N 291.479 4.779 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(Cl)ccc2C)c1 1439930707 KQKRBVRGPQNQDK-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)CCCCC1 1459694894 XCBYNEMDFUSZQM-BBWFWOEESA-N 291.479 4.702 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(C(F)(F)F)c1 1460414639 YOEWPKUTWFYRRC-GDBMZVCRSA-N 297.364 4.930 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccccc2N2C[C@H]3CC[C@H]2C3)C1 1462170613 OVTGBWPYSTZKKG-FJIDUMEYSA-N 296.458 4.832 30 10 CJEE C#C[C@H](NC[C@H]1CCC[C@@H](CC)C1)c1ccc(Cl)cc1 1462303526 GATZVSORFPOHFI-VKJFTORMSA-N 289.850 4.820 30 10 CJEE C=CCCC[C@@H](C)Nc1cc(Cl)nc(C2CCC2)n1 1472740421 JMVMXVRULZLVRS-LLVKDONJSA-N 279.815 4.554 30 10 CJEE C=C(C)CCSc1nccn1-c1cccc(Cl)c1C 1472953144 JSRXHFMWEISDSK-UHFFFAOYSA-N 292.835 4.892 30 10 CJEE C=C(CC)CN(Cc1ccc(CC)cc1)CC(C)C 1473577175 DCJGYCBUEGRMRN-UHFFFAOYSA-N 259.437 4.673 30 10 CJEE C=CCCCC(=O)O[C@@H](C)c1ccc(C(F)(F)F)cc1 1519593048 GPYLWGZWPYEOFS-NSHDSACASA-N 286.293 4.666 30 10 CJEE C=CCCC[C@H](NC(=O)C1CCC(=C)CC1)c1ccccc1 1536599419 JOSSFLDFJGVQLE-IBGZPJMESA-N 297.442 4.947 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@]1(C)CCC[C@H]1CC 1538140451 ZYRHYWIWJSWUPU-APWZRJJASA-N 285.431 4.960 30 10 CJEE C=C[C@@H](OC(=O)c1cc(C(C)(C)C)oc1C)c1ccccc1 1538943873 SWHJSPIAWYXOBI-MRXNPFEDSA-N 298.382 4.970 30 10 CJEE C=CC1(CC(=O)N[C@H](C)CCCCCC)CCCCC1 1540652517 LIIBTETWYHWIML-MRXNPFEDSA-N 279.468 4.988 30 10 CJEE C#Cc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1 1586089843 CQIXEXDMKBAAQE-UHFFFAOYSA-N 283.415 4.603 30 10 CJEE Fc1ccc(Cl)cc1C#Cc1cccc(Cl)c1 1614827657 UHGCJHWYSCPCOP-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(SC(C)C)cc1 1616606433 GDRSQIVQMREJOF-AWEZNQCLSA-N 263.450 4.804 30 10 CJEE CCCCCCCCN(C)Cc1c(F)cccc1F 1618102828 VDDCBHKVJUIYPW-UHFFFAOYSA-N 269.379 4.757 30 10 CJEE C=CC(C)(C)NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1618756594 QDTNWBFJLDQKJP-UHFFFAOYSA-N 299.458 4.730 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccccc1CCC(C)C 1622981961 HVNPMNHKVCJFNS-UHFFFAOYSA-N 288.435 4.609 30 10 CJEE C=CCN(C)[C@@H](C)c1ccc(Oc2ccccc2)cc1 1642795600 YQFYTHRJEYWUJM-HNNXBMFYSA-N 267.372 4.658 30 10 CJEE C=CCCCN[C@@](C)(Cc1ccc(Cl)cc1)C(C)C 1643205410 LEYCMSMCJIHIDC-KRWDZBQOSA-N 279.855 4.853 30 10 CJEE C=CCCN[C@@H](c1ccc(F)cc1)C1CCCCC1 1644158298 QADCRDUSVAYRAJ-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE CCCCCCCCCN1C[C@H](CC)O[C@H](CC)C1 1646286365 DKIJRZDHAZRVQD-CALCHBBNSA-N 269.473 4.626 30 10 CJEE C=CCC1(NCCCc2ccc(F)c(F)c2)CCCCC1 1652471414 FAONNIOKDATHLR-UHFFFAOYSA-N 293.401 4.766 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)CC1CCC(C)(C)CC1 1653251573 FTKCTDYRXJTVEB-UHFFFAOYSA-N 296.458 4.763 30 10 CJEE C=CC[C@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1654184183 RUBWYEBPLMOVLE-JGGQBBKZSA-N 297.364 4.896 30 10 CJEE 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CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]1C(F)(F)F 2308732175 LDLWIVXIMHVISV-FRRDWIJNSA-N 265.363 4.523 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)c(C)cc1Cl 2319296046 JXMDYPJQWHTFIM-OAHLLOKOSA-N 269.791 4.794 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1C(C)C)NCC 2321100277 ZRGVQWIHMYVRSF-NCOADZHNSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C)c2sccc2c1 2321140657 JCWAKWWARIZFRK-UHFFFAOYSA-N 258.386 4.995 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@@H](NCCC)c1ccccc1 2335103556 NKNGZUNCCCZDHD-YQQAZPJKSA-N 277.477 4.814 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(F)cc1C(C)=O 2335176178 YSJOCUGMCNBRDR-UHFFFAOYSA-N 278.392 4.950 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccccc1C1(C)CC1 2341931420 YYPCMAQIQDONEK-QGZVFWFLSA-N 257.421 4.745 30 10 CJEE C=C[C@](N)(CC)C[C@@H](c1ccccc1)C1CCCC1 2342486135 RWYOFNFHYAIQHY-ROUUACIJSA-N 257.421 4.644 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COc1cc(Cl)cc(C#N)c1 2343275884 XRQRUPGPLLDTLS-WFASDCNBSA-N 277.795 4.663 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1ccccc1)NCCC 2344357499 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QBKDDSQWUDCBKZ-SFHVURJKSA-N 271.448 4.828 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccncc1F 125019140 KROOVYDRPNSQHZ-INIZCTEOSA-N 266.404 4.622 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)C(C)(C)C)NN 130347700 FWVCUSTZJGQSJR-LSDHHAIUSA-N 256.478 4.641 30 10 CJEE C=C(C)C[C@H](NCC)c1cc2sccc2s1 130908233 OFRWMBBYGOECRN-JTQLQIEISA-N 251.420 4.580 30 10 CJEE CCCCCCCCCC(=O)Nc1c(CC)noc1C 133184238 MSVCFYVFQKEAAA-UHFFFAOYSA-N 280.412 4.625 30 10 CJEE CCCCCCCCCC[C@H](N)CCc1ccncc1 143471168 ZZZAXARFPPPFDV-SFHVURJKSA-N 276.468 4.872 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC(C)(C)C[C@H]2C)cc1 156056298 ZISZSKWLHSAWND-PBHICJAKSA-N 256.393 4.516 30 10 CJEE C=CCCC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C 156299002 JKRYGOGIPPRANJ-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCS1 160737523 CMCYUFHNIAASER-HNNXBMFYSA-N 256.455 4.982 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccc(C)nc1 164758840 DGTZHOGLESTQMZ-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCO[C@H]1C1CC1 168355695 IONRSSHUJCPGLT-RBUKOAKNSA-N 295.511 4.922 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(N)c1ccccc1 168625606 VAAYTAAGMRWLKW-LJQANCHMSA-N 289.463 4.960 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)NCCC)cn1 211714234 HICOUAXJTBJOLT-MRXNPFEDSA-N 292.467 4.882 30 10 CJEE CN(C1CCCCC1)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 213029126 ZDLFPCHHGJWXGU-HNNXBMFYSA-N 296.336 4.535 30 10 CJEE C=CCCCCCCCCC(C)(C)C(=O)OCC 221708521 BGJAMKMIFNHSJT-UHFFFAOYSA-N 254.414 4.883 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCc3ccccc32)C1 227725751 IVVZMBSRQWZUOQ-AYBZRNKSSA-N 282.431 4.548 30 10 CJEE O=C1C=C(c2cc(Cl)ccc2Cl)CCCC1 230164888 HDLXFSZSHOVTGZ-UHFFFAOYSA-N 255.144 4.520 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](CN)C(C)C 230955854 GLMVMWGDRMRSBH-QZTJIDSGSA-N 285.516 4.889 30 10 CJEE CCCCCCCCCC[C@H](N)CCOCC(F)F 232087978 JKRJWLRKYIDMTL-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC(=O)[C@H]1CSc2ccccc2O1 232922563 ZMYDIHUTYQEBJU-MRXNPFEDSA-N 292.444 4.859 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCO[C@@H]1CC 232938037 RSRIDPVTQOPIST-GOEBONIOSA-N 254.414 4.511 30 10 CJEE CCCCCCC[C@@H](NC)C(C(F)(F)F)C(F)(F)F 232947565 VJRXBTGUEMGKQV-SECBINFHSA-N 293.295 4.676 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(F)c2ccccc12 233582934 NKVDIXWKQFTEJS-GOSISDBHSA-N 271.379 4.986 30 10 CJEE CCCCCCCCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250797761 BNDQIDWBXHOMDL-LUKYLMHMSA-N 279.468 4.678 30 10 CJEE N#C[C@@H]1CCc2c(F)cccc2[C@H]1C1CCCCC1 260658948 QYOLTIXCGFPUDS-GUYCJALGSA-N 257.352 4.576 30 10 CJEE C=CCCC[C@@]1(CNCC(C)C)CCCC[C@@H]1C 318488425 LOPIIHHWTGUEGD-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1ccccc1Cl 319810668 IOEMCQDSABFYIL-GWCFXTLKSA-N 253.798 4.616 30 10 CJEE C=C([C@H](NCCC)C(CCC)CCC)C(F)(F)F 381204915 QVBKKVVQBYMMDY-ZDUSSCGKSA-N 265.363 4.690 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@H](C)C1 388603268 AASATNHJIHVNIX-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@]1(CNCC)C[C@@H](C)O[C@H]1C 686458862 HYRSCGVZNFXITA-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H](C)O[C@H]1C 686510299 APYAZNUBJPSKQF-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C#CCCCCCC(=O)c1ccccc1C(C)(C)C 686697539 NBMRSBUXXCEORR-UHFFFAOYSA-N 256.389 4.751 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(Cl)cn1 695260511 KQNVDUDPSBUGHQ-ZENOOKHLSA-N 278.827 4.521 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CCNC1CC1 695423449 KRXFFZBTGCLQBE-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CCc1cc(O[C@H](C)CC(C)(C)C#N)ccc1Cl 695862363 DSOCUUUMZHGFIB-LLVKDONJSA-N 265.784 4.610 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](N)c1cccs1 695927541 OGSLPZPNXMBJAZ-ZBFHGGJFSA-N 283.481 4.640 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCN[C@@H]1C 696885791 IIXZIEAYMOUHJL-KURKYZTESA-N 283.500 4.656 30 10 CJEE C=C1C[C@H]2CC(N[C@H](CC)c3ccccc3)C[C@@H](C1)C2 697307694 XUJXNSMSGTZYJW-IGEHEEHSSA-N 269.432 4.862 30 10 CJEE CCCCCCCCCCNC[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 701035492 SGZVSBGBFROZPF-OWSLCNJRSA-N 283.500 4.776 30 10 CJEE Cc1ccc(COc2ccc(Cl)cc2Cl)cc1C#N 701870441 MJJRHMFIXIPORZ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C#C[C@@H](N[C@@H](c1cccs1)C1CCCC1)C(C)(C)C 702291282 SSZIEQUWAXHRDT-HZPDHXFCSA-N 275.461 4.617 30 10 CJEE Cc1cc(CNc2ccc(Cl)cc2C#N)c(C)s1 702298588 ZDNLDKUVDRGRDN-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)c(Cl)c1 709972038 PYFNZDNTSVOZSF-VIFPVBQESA-N 271.191 4.734 30 10 CJEE C=C(Cl)C[C@H](Cc1cccc2ccccc12)NCC 710643032 FIWGBCXOCVPMDV-MRXNPFEDSA-N 273.807 4.503 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1(CC(C)C)CCCC1 715753513 DFEJNTCHUIRGQY-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@@H](O)C2CCC(C(C)C)CC2)CC1 724553511 SUXWKCIGZJMKCP-DAWZGUTISA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2CCC(F)(F)C2)CC1 724576103 SURCRRWBIAYGEW-HZPDHXFCSA-N 285.422 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@H]2C2CC2)CC1 724602757 OKIKIRIZCQHDNU-BZSNNMDCSA-N 261.453 4.537 30 10 CJEE Cc1cc(C)nc(-c2cccc(C#Cc3ccccc3)c2)c1 725387528 UXLAZGKFPRAZBO-UHFFFAOYSA-N 283.374 4.765 30 10 CJEE C=CCCC[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 1124244889 IHUGYKTUHBNHMQ-SFHVURJKSA-N 297.373 4.904 30 10 CJEE C=CCn1cc2ccc(NC[C@H]3CCC[C@@H](CC)C3)cc2n1 1179662352 JEOBTGIKYGKKGI-CVEARBPZSA-N 297.446 4.851 30 10 CJEE C=C(C)c1cccc(NCc2cccc(F)c2F)c1 1179746985 GLJNQVIQIFELBS-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1ccc(Cl)cc1 1196321761 COYNEJWUABKYQV-WQVCFCJDSA-N 261.796 4.584 30 10 CJEE C=CCC1(CNC(=O)Nc2c(C)cccc2C)CCCC1 1197624811 GUCGXLVKCFBBEF-UHFFFAOYSA-N 286.419 4.561 30 10 CJEE C=C(CNCc1cccc(CC2CCC2)c1)c1ccccc1 1200142172 SHGCMBBOXVKUMA-UHFFFAOYSA-N 291.438 4.832 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H]1c1ccccc1 1207075281 CLHOGYRTHUCQTF-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](C(C)(C)C)CC2)n1 1307095387 COGSBFHXQVVLDM-CVEARBPZSA-N 285.435 4.669 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 1307621129 PCSKZDAXBQIYBU-OLZOCXBDSA-N 286.444 4.734 30 10 CJEE C=CCCCCNC(C)(c1ccccc1)c1ccccc1 1307629489 SEVHVHYLHNPYJG-UHFFFAOYSA-N 279.427 4.896 30 10 CJEE C=CCC[C@H]1CCCN1C/C=C/c1ccc(Cl)cc1 1308135593 HVTSEPRFIXZMDZ-YXMMZVCTSA-N 275.823 4.784 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(Cl)c(C)c1 1310934218 OSYNQHMAJPXHRU-LBPRGKRZSA-N 280.799 4.515 30 10 CJEE C=C(C)CN(CC)C(=O)c1cc(Cl)cc2ccccc12 1353483637 ZKULXCYMVSZCOZ-UHFFFAOYSA-N 287.790 4.531 30 10 CJEE C=C(C)CCC(=O)N(c1cccc(C)c1)C(CC)CC 1459800935 HORQTYVZEZDKCQ-UHFFFAOYSA-N 273.420 4.873 30 10 CJEE C=C1CCN(Cc2ccc3oc4ccccc4c3c2)CC1 1461899656 IKVJUKNCVKZWFN-UHFFFAOYSA-N 277.367 4.738 30 10 CJEE C=CCCCC[C@@H](C)NCc1ccc(SC)cc1 1462109581 INWIIZXDOXNMOD-CQSZACIVSA-N 263.450 4.633 30 10 CJEE C=CCC1(CNCc2ccc(OCC3CC3)cc2)CCCC1 1474145917 YXWNUKKBUOPVJO-UHFFFAOYSA-N 299.458 4.702 30 10 CJEE C#C[C@@H](C)N(C)Cc1c(Cl)cccc1Oc1ccccc1 1474481981 MHNJARRUWOSLEI-CQSZACIVSA-N 299.801 4.586 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCCc1cc(C)cc(C)c1 1474576112 JBARBWKEAJIXKI-NRFANRHFSA-N 293.454 4.623 30 10 CJEE C=CCC1(C(=O)NC2CC(C)(C)CC(C)(C)C2)CCCC1 1520310104 HTNXGHUJDHGSFJ-UHFFFAOYSA-N 291.479 4.844 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)c1ccccc1C 1532324723 JYQQHFOHQJBDGW-YQVWRLOYSA-N 299.458 4.740 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cccc(C2CCCC2)c1 1533810761 HDEJZQQNQCXUTD-UHFFFAOYSA-N 285.431 4.819 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CCCc1ccccc1 1535099447 DZHMYBPXZDXJGO-HKUYNNGSSA-N 299.458 4.603 30 10 CJEE C=CCCC1(CNC(=O)[C@H](CC)CC(C)C)CCCC1 1538899208 FWQILNOIWFQMJJ-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=CCCCCCCCNCC1=Cc2ccccc2OC1 1560493451 COTYXPJTLYBVGG-UHFFFAOYSA-N 285.431 4.579 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)CCC(C)(C)C 1586139571 GFXKJJKSKLIKOW-OAGGEKHMSA-N 279.468 4.700 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(Oc2cccc(C)c2)c1 1597686261 FWQHVWIAPBIMEL-UHFFFAOYSA-N 295.382 4.938 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](OC)CC1 1620417376 SCGKOJHIJKVZTC-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C#Cc1ccc(NCC2CCC(C)(C)CC2)c(Cl)c1 1621089939 ZYBPJWRHUODRKY-UHFFFAOYSA-N 275.823 4.950 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc(C2CCCC2)ns1 1651237486 OXGCAPZULPDRDG-GXTWGEPZSA-N 291.464 4.743 30 10 CJEE C=CCCCCCCCNc1ncc(C#N)cc1Cl 1651915678 YPBQLXFJOZCRAZ-UHFFFAOYSA-N 277.799 4.545 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCOc2ccc(F)cc21 1657781000 DBFRPYWYDXQBSI-YOEHRIQHSA-N 291.410 4.764 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@]1(C)C[C@@H]1c1ccccc1 1659642116 SOMQDILZHLTJAI-UAFMIMERSA-N 283.459 4.905 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1 1667748425 NUOAEPMHNVVKLY-DOMZBBRYSA-N 292.810 4.596 30 10 CJEE CCCCCCCCN=c1[nH]c2cc(C)cc(C)c2o1 1859788714 ZUSZVWJGAGQOHW-UHFFFAOYSA-N 274.408 4.639 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccccc1Cl 1874574483 PBYDATNQUZLJEO-VAWYXSNFSA-N 298.769 4.801 30 10 CJEE CC(C)(C)C1(C[C@@](C)(C=O)c2ccccc2)CCC1 1876739948 YPHSPTOHISUIEM-KRWDZBQOSA-N 258.405 4.750 30 10 CJEE CC#CCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 1879645321 WAKBGZAFVSXZQZ-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCN(CCOC)C(CC)CC 1883428131 HZDJCKYXQLKBCG-UHFFFAOYSA-N 271.489 4.874 30 10 CJEE CCCCCCCCCN1CC[C@H]1C1CC(F)(F)C1 1883435583 YBBXEPBQOCFYGC-HNNXBMFYSA-N 273.411 4.857 30 10 CJEE C=CCCCCCN(C)C1CC(c2ccccc2)C1 1884235174 LSTXOBLNFHRKRV-UHFFFAOYSA-N 257.421 4.611 30 10 CJEE C=C(Br)CCSCC1CCC(C)CC1 1886353482 ILTKUJCHPWIPIH-UHFFFAOYSA-N 277.271 4.845 30 10 CJEE CCCCCCCN(C)C[C@@H]1CCC[C@@H]1C(F)(F)F 1887038085 GBVINJBCLCCPIA-KBPBESRZSA-N 279.390 4.867 30 10 CJEE CCCCCCCCN(C)Cc1ccc(N)cc1Cl 1887137301 GBJQLYABMFTDIM-UHFFFAOYSA-N 282.859 4.715 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)C1(C)CCCCCCC1 1887464274 LTPYBUIFMBYARK-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@](C)(CS)CN(Cc1ccccc1)C1CC1 1893537761 RGPMAGGOARNQTJ-SFHVURJKSA-N 291.504 4.633 30 10 CJEE CCCCCCCCNc1ccc2c(c1)CCCN2C 1916100825 IMVKBRRWVYLEFK-UHFFFAOYSA-N 274.452 4.841 30 10 CJEE SCCCCCCCCCO[C@@H]1CC[C@H]2C[C@H]2C1 1917348077 SURWFXSVTOFPQT-HRCADAONSA-N 270.482 4.852 30 10 CJEE CCCCCCCCC[C@]1(F)CCC[C@]12CCNC2 1918286646 CZLYZSGNNITODD-SJORKVTESA-N 269.448 4.999 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)C(C)(CC)CC 1920811497 JPRVOXBBFHEPPR-NVXWUHKLSA-N 271.489 4.512 30 10 CJEE C=C(C)C[C@@H](NC)C1(O)CCCCCCCCCCC1 1920839578 OMNHPKCXFRPIOA-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE C=C(COCc1ccccc1)[C@@H](CC(C)(C)C)NCCC 1922132481 IHLTUIDRRSDCQR-GOSISDBHSA-N 289.463 4.564 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)c(F)c(C)c1)[Si](C)(C)C 1922343785 ZJNUWCQFFQYDRO-QGZVFWFLSA-N 293.502 4.917 30 10 CJEE CCCCCCCCCCCC[C@@H](NCC)C1(O)CC1 1922595863 LMCWTEYGYUDIPP-QGZVFWFLSA-N 283.500 4.800 30 10 CJEE C=C([C@@H](NCC)c1cccc2c1CCCC2)[Si](C)(C)C 1923000429 NMHSUZASVPAPNU-GOSISDBHSA-N 287.523 4.650 30 10 CJEE C[C@@H](CCC1CC1)N=C1N[C@@H](CC2CCCCC2)CS1 1926659559 MBIGLOWQKDBTES-BBRMVZONSA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CCN(Cc1ccccc1)CC(C)(C)C 1954902122 BHMYSXLCAGFXBH-UHFFFAOYSA-N 271.448 4.584 30 10 CJEE C=CCN(Cc1ccccc1)CC(C)(C)CC(F)(F)F 1954905412 QYCQGXUWIQPMCE-UHFFFAOYSA-N 285.353 4.653 30 10 CJEE CC[C@@](C)(C#N)Cc1cc(Br)ccc1Cl 1957688817 MKHXUAPQKPCYML-GFCCVEGCSA-N 286.600 4.585 30 10 CJEE C=C1C[C@H]1CC(=O)c1cc(Cl)c(C)cc1Br 1976114674 YHVBMCXUCFGWOT-VIFPVBQESA-N 299.595 4.560 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1snc(Cl)c1Cl 1979684924 QNJMLTGCKWIQGG-SSDOTTSWSA-N 299.654 4.633 30 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289.366 4.709 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cccc(C2CCC2)c1 2343809897 XCRKKZYARVHZQC-RDTXWAMCSA-N 253.389 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](C)CC(F)(F)F)NCC 2344336285 HYRINEWKDTUQSJ-MCIONIFRSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC[C@@H]1C(F)(F)F)NC 2344357452 RBOIYHODVFGNBI-AVGNSLFASA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Cl)c(OC)c1 2344382229 FMDONPHLIBZSQX-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccc(OC)s1 2344382999 ZCMHZJOBPUKZRM-HZPDHXFCSA-N 281.465 4.790 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1C2(CCC2)C12CCC2 2344472918 FOOLPKXDOJFSNZ-CVEARBPZSA-N 262.437 4.700 30 10 CJEE CCC[C@H]1CCCCN(C[C@](C)(CS)C(C)(C)C)C1 2352079037 JEOGLNBMWFHKQI-DOTOQJQBSA-N 285.541 4.871 30 10 CJEE C=C(C)C[C@H](NCC)C1CCC(CC(F)(F)F)CC1 2353640515 KEPAYVKBIIWTJN-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CSc1cc(NC[C@H]2CCC(C)(C)C2)ccc1C#N 2353828579 RFSFRWZMRZLESY-LBPRGKRZSA-N 274.433 4.518 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CCO[C@@H]1C 2358322791 WKFGUEGCYLCUNH-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1sc(C(C)(C)C)nc1C 2360213667 XKZWBOVAVQAICP-LBPRGKRZSA-N 292.492 4.920 30 10 CJEE Oc1ccccc1/N=C/c1cccc(-c2ccccc2)c1 8519021 KFSPNWXMSZBMIA-XSFVSMFZSA-N 273.335 4.810 30 10 CJEE C[C@@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 35256434 IGWSAPXGPHZUHW-ZWQIFLOQSA-N 282.431 4.568 30 10 CJEE C[C@H](CNc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922145 QHMIALCBXLKPNP-OAHLLOKOSA-N 278.399 4.703 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCCCCC2)C1 37146716 HWUQLYVHHKNDLN-KZNAEPCWSA-N 290.495 4.997 30 10 CJEE C=CCOc1ccccc1CNc1cccc(SC)c1 37188263 BFOJWUMFVRNTFM-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE C=CCSc1ccccc1NCc1ccccc1F 37496205 YYPHVRAQQDEJPA-UHFFFAOYSA-N 273.376 4.716 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCOc2ccccc21 59460255 XAXBIUNJKBZMFC-RDJZCZTQSA-N 275.436 4.849 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2F)C1 62014277 KDCTVHVZHTWIKV-JTOWHCCKSA-N 288.410 4.537 30 10 CJEE CC(C)(C)c1oc(-c2ccc(Cl)cc2)cc1CC#N 77084851 PLZVVNOQSXNXSV-UHFFFAOYSA-N 273.763 4.964 30 10 CJEE CCc1ccc(OC)c(-c2cc(C#N)c(C(C)(C)C)o2)c1 77085424 UQNATFVVBSZSQD-UHFFFAOYSA-N 283.371 4.687 30 10 CJEE CCc1sc(-c2ccc(Br)cc2)cc1C#N 77096578 TYAODTHGFNYTMQ-UHFFFAOYSA-N 292.201 4.612 30 10 CJEE CC(C)[C@@H](CS)COc1ccc(Cl)c(Cl)c1 87081787 PVRYMDDCRJQRFB-SECBINFHSA-N 279.232 4.574 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(C)ccc2OC)C1 87972922 CUNSWGMJTMIINF-MAUKXSAKSA-N 271.404 4.656 30 10 CJEE CCCCCCCCC[C@@](C)(O)CCNC(C)(C)C 91520200 HLDAENPJBIWDCX-QGZVFWFLSA-N 271.489 4.656 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)Nc1ccccc1Cl 94281651 HQWBTECEXLVCEF-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCC(CS)(CCC)CN1CCC(C)(C)CC1 94579387 OWJAWOGOQSSPQD-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C[C@H](c1cccs1)N(C)CC1(CS)CCCCC1 94580185 HWBFKKWFKIAHEK-CYBMUJFWSA-N 283.506 4.621 30 10 CJEE CCc1ccc(N(C)CC2(CS)CCCCC2)cc1 94580765 XZRFALWKTJYBAL-UHFFFAOYSA-N 277.477 4.566 30 10 CJEE CCCC(CS)(CCC)CN(CC)C[C@@H](C)CC 94582031 RGFHPTPJNBIUGE-HNNXBMFYSA-N 273.530 4.871 30 10 CJEE C#C[C@H](C)Cc1cc(C(C)(C)C)ccc1OCCC 107602197 SBWKANLMLJVEBA-AWEZNQCLSA-N 258.405 4.585 30 10 CJEE CCCOc1ccc([C@@H](C)CCS)c(C)c1C 107643072 QPSGRDZFFHXQRC-NSHDSACASA-N 252.423 4.516 30 10 CJEE CCCCCCCC[C@H](CNC)Cc1ccccc1F 110191972 UFGVHGLEWWUZCR-INIZCTEOSA-N 279.443 4.954 30 10 CJEE CCCCCCCC[C@@]1(C#N)CCOc2ccccc21 115839006 LSCBIMDPSUVFRN-SFHVURJKSA-N 271.404 4.981 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H](C)c1ccccn1 117686705 CEBCAVSYCFMYCE-JKSUJKDBSA-N 262.441 4.524 30 10 CJEE CCCCCCC[C@H](CCC(F)(F)F)NCC 125039578 JMMVCOFLMXCYDV-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C)c(F)cc1F 125649117 LRNLNFUDHHHLGV-MRXNPFEDSA-N 267.363 4.670 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(F)cc2C)C1 128625211 VBJCJXAXGZYOQN-RHSMWYFYSA-N 259.368 4.787 30 10 CJEE CCCCCCCCCCO[C@H]1CCCCC[C@H]1O 146323175 GMRCTNQUKZMZMK-SJORKVTESA-N 270.457 4.837 30 10 CJEE C=CCN(c1ccc([C@H](C)NCCC)cc1F)C(C)(C)C 162272115 CXUCEPVOXBXFQM-AWEZNQCLSA-N 292.442 4.677 30 10 CJEE CCCCCCC[C@H](CC1CCOCC1)NCCC 162591590 JKRMACRFIANJKN-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccccc2C#N)c2ccccc21 163676708 GZKHUNMVCRODSX-SCLBCKFNSA-N 262.356 4.609 30 10 CJEE CC(C)(C)c1ccc([C@H](O)C2(C#N)CCCCCC2)s1 166294804 IIJQKBYKBSWRMZ-HNNXBMFYSA-N 291.460 4.943 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C#N)cc1F 168258116 SCFBQOYSNBMLRJ-ZDUSSCGKSA-N 262.372 4.858 30 10 CJEE CCCCCCCCO[C@@H]1[C@@H](C)C[C@@H](C)C[C@@H]1NCC 219568370 WTJHSWRHVAPXDM-VSZNYVQBSA-N 283.500 4.776 30 10 CJEE Cc1cc(C)c(COc2ccc(C#N)c(Cl)c2)c(C)c1 226057076 CLMYAFYBXIBEQM-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227472951 YBMRRMAETQZFJR-WZRBSPASSA-N 280.824 4.546 30 10 CJEE CCCCCCCCCCCCNCCCNC1CC1 228409657 KXKUNSXCDPMDSX-UHFFFAOYSA-N 282.516 4.639 30 10 CJEE CCCCCCCCOc1cc(CNC)cc(C(C)C)n1 228462698 KMKGFRSMWTTXCQ-UHFFFAOYSA-N 292.467 4.664 30 10 CJEE C=C(CC)C[C@@H](NCC)C1(CC(C)C)CCCC1 229753425 GAEHYTXOSWHMLK-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](C)Nc1cc(C)c(Br)c(C)c1 232021139 LQICYENLJAZMMA-GFCCVEGCSA-N 282.225 4.833 30 10 CJEE Cc1ccc(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(C#N)c1 232763655 WWTRNVCIGMTMME-QGPMSJSTSA-N 271.404 4.706 30 10 CJEE CSCCCCCCNc1cc(Cl)ccc1C#N 235028197 KYMYOHHXPQZKII-UHFFFAOYSA-N 282.840 4.547 30 10 CJEE Cc1c([C@H](C)N[C@@H]2CCC[C@H]2C#N)sc2ccccc12 251026664 WFSYPROWJKTKFO-KCQAQPDRSA-N 284.428 4.553 30 10 CJEE CC(C)(C#N)Cc1cc2ccc(C(F)(F)F)cc2o1 260236384 JZPGQMYWNZOFQM-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)c2scc(C)c2Cl)c1 300083331 KAVVGHMATONYOD-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE N#C[C@H](Sc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2 305988165 IWYDBSLTNZHWGM-AZHAFVHUSA-N 277.820 4.760 30 10 CJEE CC[C@@H](Nc1cc(C)cc(C#N)c1)c1cccc(C)c1 308124797 XNWZMTAILPPZIW-GOSISDBHSA-N 264.372 4.738 30 10 CJEE N#C[C@]1(C[C@@H]2CCC(F)(F)C2)CCc2ccccc2C1 312130989 QZEMZPXOFTWASS-BBRMVZONSA-N 275.342 4.511 30 10 CJEE Cc1nc(Sc2ccc(C(C)(C)C)cc2)ccc1C#N 312730574 JDZWZPDJBIVYNN-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2nc(C(C)(C)C)cs2)C1 317267566 HDHSNHXXJVPMTR-DYVFJYSZSA-N 293.476 4.769 30 10 CJEE C#CCCCC1(CNCC(C)C)CCC(C)(C)CC1 318247236 IBFRXBLDJIOOHM-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCCCCC[C@H](O)CN1CCCCCC1 328062866 BVVQIVXKTFDWCD-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2c([N+](=O)[O-])ccc(Cl)c2C)C1 380280989 BIQKJAAXZLBEIA-ABAIWWIYSA-N 292.766 4.528 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1CCCC1(F)F 382241128 WDUUWAMZFBUNQS-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE CCCCCCCCC[C@H](NC)C1CC(F)(F)C1 383346724 ZRMYZRZWNBJQBP-AWEZNQCLSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@@H](COCC1CC1)NCC 395492186 LDKDSDBWVYGHEK-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE N#C[C@@H](CNc1ccc(F)cc1Cl)C1CCCCC1 397165311 YZFAZBDZJQMFDZ-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE CC1(C)CC(NC[C@@H](C#N)C2CCCC2)CC(C)(C)C1 397297133 KNOQZJCWDLHYDT-OAHLLOKOSA-N 276.468 4.511 30 10 CJEE C=CCCC[C@H](C)Nc1cc(F)c(Cl)cc1[N+](=O)[O-] 398050696 DFKIWGONVDHCAC-VIFPVBQESA-N 286.734 4.544 30 10 CJEE C=CCCC[C@H](C)NCc1c[nH]c2cc(Cl)ccc12 398190118 REIDCKQZSYRJJP-LBPRGKRZSA-N 276.811 4.656 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)[C@@H]2CCCC[C@H]2CC)C1 401934133 DLXMXNZNPLWBDU-ZKXLYKBJSA-N 277.452 4.674 30 10 CJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)C/C1=N/c1ccccc1 585666875 UNELJYXELGIDJV-DKYWCIHHSA-N 292.426 4.690 30 10 CJEE C#CCCCCCn1ccc2ccc(Br)cc21 686689449 MEKHOHTXDFMNEY-UHFFFAOYSA-N 290.204 4.597 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CC12CCOCC2 690048098 HUXWANZQGJNJJN-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE C[C@@H](Nc1cccc(F)c1Cl)c1ccc(C#N)cc1 690256890 GUDUWZIOFHEXAD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCC(F)(F)C(C)(C)COc1cc(Cl)ccc1C#N 691067581 AQMRWEMZPZAUFP-UHFFFAOYSA-N 287.737 4.662 30 10 CJEE CCCCCCCCCCNC[C@H](OC)C1CCCC1 692985138 ZUSYPECYTJNTPB-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CC(C)(CC(F)(F)F)CC1(C=O)CCCCCC1 694129455 ZNYSYZDFKKMUJX-UHFFFAOYSA-N 264.331 4.895 30 10 CJEE CCC(C)(C)CCOc1ccc(CCC(C)=NO)cc1 696733256 FJTNIEYHGBLVDY-UHFFFAOYSA-N 277.408 4.674 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)cc(OC)c1 698764950 WWXDYENRXXIAIL-HNNXBMFYSA-N 270.800 4.743 30 10 CJEE Cc1ccc(C#N)c(N2CCC(C)(C)CC(C)(C)C2)c1 699711462 AHSRCVGNYGEVCG-UHFFFAOYSA-N 270.420 4.519 30 10 CJEE C=C(C)CCc1cc(Cl)ccc1Br 699972328 YGYIONWQSQODIF-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE CCCCCCCn1c(S)nc2cc(Cl)ccc21 703728748 TZEGYUCQHBFVFJ-UHFFFAOYSA-N 282.840 4.949 30 10 CJEE C=C(Cl)C[C@H](O)c1cc(C(F)(F)F)ccc1Cl 710486804 PJUSGROGCUTJLE-JTQLQIEISA-N 285.092 4.535 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CC[C@@H](CC)C1 710633372 HSUSRBLRTUOKDS-CABCVRRESA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc2sccc2c1 710696292 KEOUZEVGGITRNU-CYBMUJFWSA-N 265.809 4.695 30 10 CJEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 710736955 QKLCPEZDHFCNRF-QGZVFWFLSA-N 294.439 4.639 30 10 CJEE C=CCCC(C)(C)Nc1cc(Cl)nc(C(C)(C)C)n1 717609042 PROAOIFWWNQROG-UHFFFAOYSA-N 281.831 4.584 30 10 CJEE C=C1CCC(C[C@H](CCc2ccco2)NCCC)CC1 724596630 NBHCDMRKXMLQLL-KRWDZBQOSA-N 275.436 4.717 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)CC[C@@H](C)C2)CC1 724605517 ABMDEZUCCGNTQQ-SJLPKXTDSA-N 263.469 4.927 30 10 CJEE FC(F)(F)Oc1cccc(C#Cc2ccc(Cl)cc2)c1 725400560 VQAGZPPGMVZFQV-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE C#CCCCCC(=O)N(Cc1ccccc1)C1CCCCC1 773360232 RIJRXBYELHDCBK-UHFFFAOYSA-N 297.442 4.542 30 10 CJEE C=CCCCC(=O)N(Cc1ccccc1)c1cccc(C)c1 1124338783 RBCBXUCOMABRFC-UHFFFAOYSA-N 293.410 4.885 30 10 CJEE C=C(C)CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 1168569537 FEEIWIWYBWXXLC-UHFFFAOYSA-N 297.364 4.851 30 10 CJEE C=CCCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 1170061851 DSFXMQIGCBWRQK-OTWHNJEPSA-N 269.432 4.611 30 10 CJEE C#CCCCCCCNc1cccc2c1OC(C)(C)CC2 1183927704 CBZIALATGOKOLA-UHFFFAOYSA-N 285.431 4.786 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)c1cc2cnccc2o1 1207269095 CEBZEXNYAMRQFC-HIFRSBDPSA-N 272.392 4.613 30 10 CJEE CCCCCCCCN(C)Cc1ncccc1Cl 1231959255 AKDMFFFUCMFAMT-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1269350615 JNLUDRWBQYTUKW-OAGGEKHMSA-N 279.468 4.700 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](C)C1CCCC1)c1ccccc1 1275678253 QIYMVSLKYGUPPQ-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C=CCCC(C)(C)CNC(=O)CCC1CCCCCC1 1287602911 HCJCFSYPTRZNOU-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@H](CC)c1ccc(C)cc1 1289491840 FTKUYTBECKGBRB-HKUYNNGSSA-N 299.458 4.836 30 10 CJEE C=CCCCCCN1C[C@H](c2ccccc2)C[C@H]1C 1307468524 AATNVJULALITEG-SJLPKXTDSA-N 257.421 4.611 30 10 CJEE C=CCCC[C@H](N[C@H]1C=CCCC1)c1ccccc1 1308039023 CJAZJEFTHCLCLQ-ROUUACIJSA-N 255.405 4.782 30 10 CJEE Cc1cc(CNC2CCC3(CCCCC3)CC2)ccc1C#N 1308371959 DANREBSNLHDQRH-UHFFFAOYSA-N 296.458 4.849 30 10 CJEE C#C[C@H](N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1)C(C)(C)C 1308795207 QOCISXCDAINFKE-OWYHZJEWSA-N 283.459 4.596 30 10 CJEE C=CCCCCCCCN[C@@H]1CCC[C@@H]1C(C)C 1308804169 ZLIOXXLHUAFMOT-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1351623423 HOVNKSBCIQAOSU-MRXNPFEDSA-N 291.410 4.631 30 10 CJEE C=C1CCC(C(=O)NCC(CC)(CC)c2ccccc2)CC1 1354743373 VOIRNUSMHIKFDF-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=C(C)CN(CCCCC)Cc1ccc(Cl)cc1 1459698748 FKTLZKSFRSWUQG-UHFFFAOYSA-N 265.828 4.908 30 10 CJEE C=CC(C)(C)NCc1ccc2c(c1)c1ccccc1n2CC 1461811623 OHEPLNTZJSRPDI-UHFFFAOYSA-N 292.426 4.869 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cc(C)c(C)o1)c1ccccc1 1462507120 UYMQDGWJJSTIIP-QGZVFWFLSA-N 297.398 4.724 30 10 CJEE C=CCCCCNc1cc(C(C)(C)C)nc(C(C)(C)C)n1 1472765382 HQPULSHPPIRUTJ-UHFFFAOYSA-N 289.467 4.840 30 10 CJEE C#CC[C@H](NCCC1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1473332219 VMVYNMJJCIIZCA-HLIPFELVSA-N 283.459 4.803 30 10 CJEE C=CC(C)(C)CN[C@H](CC)Cc1ccc(C(F)(F)F)cc1 1474528345 LHPCWRLHHOGGTB-OAHLLOKOSA-N 299.380 4.828 30 10 CJEE C=CCCCCCCCN[C@@H](C)C1CCSCC1 1474564163 DFGDQWXTYTWKLN-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=CCC1(C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CCC1 1519852445 CYDIRPLAUVKRTC-CVEARBPZSA-N 291.479 4.702 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1C[C@H]1CC(C)C)c1ccccc1 1527992618 WUYJGZQSGAIECS-CEXWTWQISA-N 299.458 4.677 30 10 CJEE C=CCCC[C@H](NC(=O)CC1CCCC1)c1ccccc1 1533766641 PQEFYWLMUBBDFR-SFHVURJKSA-N 285.431 4.781 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CC1CC(c2ccccc2)C1 1537213418 IWHISUFKVCFHEQ-NKELODKYSA-N 297.442 4.528 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](C)c1cc(C)c(OC)cc1C 1537985827 YNEQLDBUSDPDCC-CQSZACIVSA-N 290.403 4.519 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 1560719271 AYCWZOAARNEXLB-MCIONIFRSA-N 295.879 4.826 30 10 CJEE C=CC(C)(C)CC(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1595344260 FPFYPHRLYIPEBL-KRWDZBQOSA-N 291.479 4.796 30 10 CJEE C#CCN(CCCC(C)(C)C)[C@@H]1CCCc2ccccc21 1620613234 ZTEADLICBCFNBF-LJQANCHMSA-N 283.459 4.826 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cccc(OC(C)(C)C)c1 1620642428 VLWKZKYQNUAHKC-QGZVFWFLSA-N 287.447 4.795 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(OC(C)C)c(C#N)c2)C1 1621244482 OFYWMBWQEJTNSM-GOEBONIOSA-N 284.403 4.502 30 10 CJEE CCCCCCCCCCN1CC[C@H]2[C@H](C1)C2(F)F 1642342038 YRNASXUWBFHHHL-GJZGRUSLSA-N 273.411 4.714 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cccc(-c3nccs3)c2)C1 1651997273 IUFDSDIDAGDXRW-CJNGLKHVSA-N 284.428 4.967 30 10 CJEE C=CCCSCCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1652787595 GANADUWOQDIANV-KGLIPLIRSA-N 297.895 4.731 30 10 CJEE C=CCCCCN1CCC[C@@](C)(c2ccccc2)CC1 1653577567 CVYGNNOAKYPKPV-LJQANCHMSA-N 271.448 4.787 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cccc3ccccc23)C1 1655010055 LDHCGUNIZPYHRO-MRXNPFEDSA-N 265.400 4.628 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 1657477386 HNPSQFNYOFWQBG-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCSC(C)(C)C 1659401836 VOAMSQJWXYVSDJ-CABCVRRESA-N 269.498 4.633 30 10 CJEE C=C(C)c1cccc(NCC2Cc3ccccc3C2)c1 1660163834 BHEQHRHMGZSHTR-UHFFFAOYSA-N 263.384 4.547 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@@H](C/C=C/C)C1 1672562296 QWCNESPOXSRPEM-UKINESCASA-N 292.467 4.511 30 10 CJEE C=CCCOc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 1860097741 WLQWGIBZVRJHSY-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CCCSc1nc(-c2cc(F)ccc2F)cs1 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NWEMHFRPSQYMHD-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE CCCCCCCCC(=O)c1cc(Cl)ns1 1979677128 LDVGADAAKWUWGR-UHFFFAOYSA-N 259.802 4.730 30 10 CJEE C=C1CC(CNc2cc(F)c(Cl)cc2Cl)C1 1994143747 CPVOKIYRFONXRN-UHFFFAOYSA-N 260.139 4.511 30 10 CJEE CCCC#CCNc1cc(Cl)c(C)c(Cl)c1 1994163613 CVLBAJOYAAZBTP-UHFFFAOYSA-N 256.176 4.517 30 10 CJEE O=C(C1=COCCC1)c1c(Cl)ccc(Cl)c1Cl 2000204479 ZBJLOPMSDOIHCT-UHFFFAOYSA-N 291.561 4.524 30 10 CJEE C=C(C[C@H](NCCC)c1cccs1)[Si](C)(C)C 2003680364 MICKANYQIAWPCL-ZDUSSCGKSA-N 267.514 4.613 30 10 CJEE C=C(CC)CC[C@H](NCC)c1ccccc1Br 2003683613 QCLCTUKYPGHHLM-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CC(C)C(C[C@]1(C#N)CCS[C@H](C)C1)C(C)C 2015388636 WPMIFXVRBKEOCJ-HIFRSBDPSA-N 253.455 4.730 30 10 CJEE CCCCCCC[C@@](C)(O)C(C)(C)C(F)(F)F 2017701149 GCGYGMOHUFGVML-GFCCVEGCSA-N 254.336 4.686 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCCSC1 2026309574 GHJOSMHZHKATIU-OAHLLOKOSA-N 255.471 4.518 30 10 CJEE Cc1cc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)ccc1Cl 2028859415 WMEINBZWVXGGFI-DZKIICNBSA-N 259.780 4.521 30 10 CJEE C=CC[C@@H](C)[C@]1(CNCC(C)C)CCCC1(C)C 2032103281 IJPUMFBRLMTMAN-NVXWUHKLSA-N 251.458 4.641 30 10 CJEE CC(C)C[C@H](C)[C@](C)(C#N)Nc1cccc(Cl)c1 2036375408 OYASFLSTKYVUAW-WFASDCNBSA-N 264.800 4.716 30 10 CJEE N#Cc1ccc(C(=O)C=Cc2ccc3ccccc3c2)cc1 2040455143 PMZVCVMEDUPTNW-UHFFFAOYSA-N 283.330 4.608 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(Cl)c(F)c1 2040529766 MOVNXGJGXBFVMW-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C=CCC[C@@H](C)C1(CNCC)CCCCCCC1 2040530462 QZSZUEZCHQDWLO-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE C=CCC[C@H](C)C1(CNC(C)C)CCC(C)CC1 2040530908 UPOFEXBIXDZVNR-CGZBRXJRSA-N 251.458 4.783 30 10 CJEE C=CCCCCN[C@H](CC)C1CCC(C)(C)CC1 2040682848 FYOMOJUNLOGAEI-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCC[C@@](C=O)(CC)CC[C@H]1CCCC1(F)F 2045982598 UPKIRIDYJXWMQR-KGLIPLIRSA-N 260.368 4.988 30 10 CJEE CCCCCCCCN[C@@H]1CCCCC(F)(F)C1 2049840176 KNKZGSIPOPHXLN-CQSZACIVSA-N 261.400 4.905 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@]1(C=O)CCCCC12CC2 2053410704 GIQIZHZIVQHZHD-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE C=C(F)C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2062220960 CGBFLNCZSACHDC-GFCCVEGCSA-N 282.767 4.975 30 10 CJEE CCCCCCC[C@@H](N)c1scc2c1CCCC2 2066975480 LPYGEYXRTFLCNH-OAHLLOKOSA-N 265.466 4.987 30 10 CJEE C=CCCCCC[C@@H]1CC(F)(F)C[C@H]1NCCC 2069436023 GWRGWVJIZXUZKO-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C#Cc1cc(C(C)C)nn1[C@H](C)c1ccc(C(C)C)cc1 2070083211 ZSMAYUZCIXEWNK-OAHLLOKOSA-N 280.415 4.721 30 10 CJEE CCCCCCCCC[C@]1(F)CCCNC[C@@H]1C 2070604830 YURFPCQCDLWBRK-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE CC#CCCCCNc1ccccc1SC(F)F 2075357762 CTWMURDOQYNLEI-UHFFFAOYSA-N 269.360 4.607 30 10 CJEE C=CCCCC[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2079386638 ZQKDTIYUFIKCJZ-BBWFWOEESA-N 250.426 4.700 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1C[C@@H]1C1CCCC1 2079722806 DQSGUNDXMDNNCX-IXDOHACOSA-N 251.458 4.891 30 10 CJEE C=C(C)CC[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2080506747 IAVUJTZWYWEAPP-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE Cc1ccc(Cl)c(F)c1C1=CC(=O)CC(C)(C)C1 2082028024 YRVXZJUEUFHENO-UHFFFAOYSA-N 266.743 4.560 30 10 CJEE C=CCCCCCC[C@@H]1CC[C@H]1CNC(C)(C)C 2085838261 BLGYPTGMUPAQNH-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O 2085851437 GTQPBOXGTSCWJM-BBWFWOEESA-N 252.442 4.946 30 10 CJEE C=CCCCCCCC(=O)[C@@H]1CCCCC1(F)F 2085856366 LLLUQZNZTDDJDY-ZDUSSCGKSA-N 258.352 4.908 30 10 CJEE C=CCCCCCC[C@H](O)c1cc(F)ccc1F 2085916385 KFEOKVKDQQWLID-HNNXBMFYSA-N 254.320 4.525 30 10 CJEE CCSc1cccc(NCCCC2(C)CC2)c1C#N 2088135622 WDQPASBMMMFCDJ-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccccc1CCC 2088223808 RBTRQMMOBJQXJO-GOSISDBHSA-N 262.437 4.903 30 10 CJEE CCCC[C@@H](CC)CN=C1NC[C@H](C(C)(C)C)CS1 2090200275 ZLQXGZKYZPUJFN-KGLIPLIRSA-N 284.513 4.558 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCCCC)NCCC 2092172449 CIUJSGQBNFARFD-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cnc[nH]1 2092835329 TZJXEMKDRWATBV-OAHLLOKOSA-N 265.445 4.591 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C(F)(F)C12CCC2 2093466194 RTZVSXXXHGNGHU-UONOGXRCSA-N 274.395 4.923 30 10 CJEE C=C1CCC(NCc2c(Cl)oc3ccccc23)CC1 2101211815 JDJTXROVPKRYPE-UHFFFAOYSA-N 275.779 4.675 30 10 CJEE C=CCC[C@H](C)[C@@](C)(O)c1cccc(C(F)(F)F)c1 2102097096 WULMMLOQFIHZFD-SMDDNHRTSA-N 272.310 4.515 30 10 CJEE CCCCCCC[C@@H](NC)C1CC2(C1)CC(F)(F)C2 2102619665 JIKGHYOEKBYCER-CQSZACIVSA-N 273.411 4.760 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@@H]1CO[C@@H](C)C1 2103109681 UPXRSMFUQFIGEL-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CC[C@@H]1CCC[C@H](OC2(CC)CCC(=NO)CC2)C1 2105164490 LCBMFLUKBVBBLR-YISXUXMPSA-N 267.413 4.525 30 10 CJEE CCCCCCCC1(CNCC)C[C@@H]2[C@@H](C1)C2(F)F 2107640040 BPHFUXDNCXYYDA-ZIAGYGMSSA-N 273.411 4.618 30 10 CJEE O=C(C1=CCCO1)c1ccc(-c2cccc(Cl)c2)s1 2107822872 DTBXIZQQOVIRDC-UHFFFAOYSA-N 290.771 4.555 30 10 CJEE CCCC[C@](C)(C#N)[C@@]1(O)CCC[C@@H](CC(C)C)C1 2108206620 MQWGNBXBWZSBKI-GVDBMIGSSA-N 265.441 4.674 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)[C@H]1CCC[C@@H](CC)C1 2108209413 SBODTJKEKCEODS-TWMKSMIVSA-N 265.441 4.674 30 10 CJEE C=CCN(C[C@H]1CCCC[C@@H]1C(F)(F)F)C(C)(C)C 2109010987 OFCXUNRAUNTXHD-OLZOCXBDSA-N 277.374 4.642 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2109838540 IXDUPKGCNFCATA-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](O)CC(C)(C)[C@H](C)NCCC 2111289513 VSWGIJXKRAMWIO-HOTGVXAUSA-N 271.489 4.512 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)[C@@H](CCC)CC(C)C 2111313020 LHUBGAUYSWRYQX-DLBZAZTESA-N 265.485 4.867 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@]1(C)CCCCC1(F)F 2111646277 YABBLAWYINHKJB-QLFBSQMISA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C)C[C@@H](NCCC)C2)CC1 2118764900 DFGGBTFZYFLTBP-RYQLBKOJSA-N 263.469 4.927 30 10 CJEE C[C@H]1OCC[C@H]1CC1(C#N)CC(C)(C)CC(C)(C)C1 2121158212 YYSWMHOSIUWWSF-KGLIPLIRSA-N 263.425 4.548 30 10 CJEE C=C(Cl)CO[C@H]1CCCCCCCC[C@H]1NCCC 2122050581 LEAJGVWFYVVHSN-CVEARBPZSA-N 287.875 4.627 30 10 CJEE C=CCCCC[C@@H](N)C(CC)(CC)c1ccccc1 2123086483 SWKRRZGPEZYDNL-QGZVFWFLSA-N 259.437 4.818 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)CCc2ccco2)CC1 2125191701 GXLVEPVLAGKMEN-CQSZACIVSA-N 260.377 4.554 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)c2cccc(F)c2)CC1 2125215287 LCESYGYWIJTQIS-AWEZNQCLSA-N 260.352 4.781 30 10 CJEE CC[C@H]1CC=C(C(=O)Cc2ccc(C)c(C)c2)CC1 2125223229 NAVQBWHACXWPMC-HNNXBMFYSA-N 256.389 4.552 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1CC[C@@H](COC)C1 2125463058 CHAVJBXZCAAELQ-ZACQAIPSSA-N 270.457 4.551 30 10 CJEE CCCCCCCCCC(=O)CCCOCC1CC1 2128325130 OPHRMTVUSXDMLH-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CC1(C)CC2(CC([C@@]3(C#N)CCCC(F)(F)C3)C2)C1 2128443118 SIKXSQGMLVURGZ-HNNXBMFYSA-N 267.363 4.922 30 10 CJEE O=C[C@]1(CC23CCC(CC2)CC3)CCCC12CCC2 2128534075 BKBJZPTUYBGTCZ-LEOMRAHMSA-N 260.421 4.886 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)[C@H]3CCC3(C)C)C[C@@H](C1)C2 2132096362 IFCHTBXODDKKEJ-PQAIKRCPSA-N 261.453 4.536 30 10 CJEE CCc1ccc(C#N)c(Oc2cc(C)cc(C)c2)c1 2132309653 DKRFYKSRZZVHND-UHFFFAOYSA-N 251.329 4.530 30 10 CJEE C=CC1(CNCc2ccc3sccc3c2)CCCC1 2132982530 CVRVXZMFTVKQGP-UHFFFAOYSA-N 271.429 4.737 30 10 CJEE CCCCCCCCOCc1ccc([C@@H](C)N)cc1 2134227791 LGDHSXRZKBAYNZ-OAHLLOKOSA-N 263.425 4.583 30 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CCCCCCCNc1cc(Cl)ccc1[N+](=O)[O-] 59427258 AXEKOIYTUJYGLG-UHFFFAOYSA-N 270.760 4.631 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccccc1 59526368 VHZLBESPCIPFCW-OAHLLOKOSA-N 262.393 4.635 30 10 CJEE N#Cc1cc(Nc2cccc(Cl)c2)nc2ccccc12 68771959 OIZAWLIZFGAZNA-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC(C)c1nc(Cc2cccc3ccccc23)sc1C#N 82429486 KXNKGSZCJKXMFO-UHFFFAOYSA-N 292.407 4.882 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)CC1 86922677 SRHZJQMQFPWZAE-JKSUJKDBSA-N 256.393 4.575 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86954384 DDWONPAYFXYEBP-HZPDHXFCSA-N 270.420 4.965 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Cl)cc2)C1 87972787 MFUCFPFNFHIUDT-XJKSGUPXSA-N 261.796 4.993 30 10 CJEE CC(=O)/C=C/c1ccc(-c2cccc3ccccc23)o1 90756171 YXAKZWQTTONZTO-MDZDMXLPSA-N 262.308 4.702 30 10 CJEE C[C@H]1CCCC[C@@H]1N(C)CC1(CS)CCCCCC1 94580973 JXWBIEOAYDRBBP-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE Cc1cc(C)c(C)c(OCC2(CS)CCCCC2)c1 94584207 WBSVGNSPFXHRKM-UHFFFAOYSA-N 278.461 4.871 30 10 CJEE CCCCCCCCNCc1ccc2ccccc2n1 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4.927 30 10 CJEE C=C(C)CC[C@H](CSc1cccc(C)c1)NCCC 164642251 LNUYFHKTXDCEIQ-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccc(C)nc1 164829607 LKAFRPYXZARYAY-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE C=C(C)CCn1c(C)c(C)c2cc(CNC(C)C)ccc21 164872069 YICCDDMZOAVPHR-UHFFFAOYSA-N 284.447 4.722 30 10 CJEE N#C[C@H]1CCC[C@H](Nc2ccc(COC3CCCC3)cc2)C1 193092845 HSAKKOYASWREGA-WMZOPIPTSA-N 298.430 4.640 30 10 CJEE COc1cc(Cl)c(C)cc1Nc1ccc(C#N)cc1C 203462351 VWBXGVCCQHXTDP-UHFFFAOYSA-N 286.762 4.581 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](CCC)CC2)C1 226983665 CMZWJWFMZLXZJN-FCGDIQPGSA-N 290.495 4.997 30 10 CJEE CCCCCCC[C@@H](C)N1CCC[C@](CCC)(C(=O)O)C1 227833727 WHGCOZIYRGZJAL-AEFFLSMTSA-N 297.483 4.702 30 10 CJEE C=CCC[C@@H](C)NC1CCC(C(C)(C)CC)CC1 228818430 CNWCCHXDBCZQAH-QQFBHYJXSA-N 251.458 4.926 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(C)c(Br)c1 229755010 XGAWKHRTYGCIDS-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cc(F)ccc1Cl 231820262 NEEWZNGEGILDGQ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC(C)(C#N)CCCCn1ccc2c(F)cccc21 232527974 LEYZYONYJVWZPH-UHFFFAOYSA-N 258.340 4.500 30 10 CJEE CC(C)CCCCCCNc1ccc(C#N)c(F)c1F 232541721 DGXHDKXMXCWXHG-UHFFFAOYSA-N 280.362 4.855 30 10 CJEE C#Cc1cccc(NC[C@@H](c2ccccc2)C(C)C)c1 232745118 NORVMSTVMOUGEJ-LJQANCHMSA-N 263.384 4.520 30 10 CJEE CCCCCCCCCOc1ccc([C@H](C)N)c(F)c1 232954886 QVXSGIZCTWQRDC-AWEZNQCLSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCC[C@@H]1COCC[C@@H]1NCC 232955588 FATKFPVPJMEMSH-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C)c1Br 233583041 ILOKSAYKJFKIGI-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CCSc1cccc(NCC(C)(C)C(C)C)c1C#N 233872589 SKTYNICFZJIBOF-UHFFFAOYSA-N 276.449 4.764 30 10 CJEE CCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 250834056 SUNZHWVTFUHKIN-XAJHFOFHSA-N 250.426 4.534 30 10 CJEE C[C@H](C#N)CCC1CCC([C@@H](F)C(F)(F)F)CC1 261118771 HWRZTAKPUOUXNE-WNYYMSAVSA-N 265.294 4.633 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](CC)CC[C@H]1C(=O)O 300258883 YXCIERPMMFEZRJ-RRFJBIMHSA-N 252.398 4.650 30 10 CJEE C=CCCCCCC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 300277882 CZDFZDZUOVJOCC-UHOSZYNNSA-N 268.400 4.668 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 300278095 LDGJWGZWRMGIKH-FJIDUMEYSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnc(C)n1C 312383907 MTMUXNOAXIKVIL-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCCC23CCCC3)cc1F 313149084 ROVXKXYXKMVUIH-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(C(C)C)cc2)C1 316899386 XLCPJBKINYMRTE-CRAIPNDOSA-N 258.405 4.748 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1 318005300 QYZIJGXDOROHPW-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCCC1(F)F)NC 381871463 JOSYHJOAQQXUMS-KBPBESRZSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)OC(C)C 384155370 USYFYPCHAVVIGS-HNNXBMFYSA-N 257.462 4.529 30 10 CJEE CCCCCCCC[C@@H](CCC1=CCCCC1)NN 385606835 DSOXWGANGMKRRP-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1ccc(C)cc1Cl 387410704 CRBIJMYCLOIIJW-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1ccc(Br)cc1 397523044 VOWLBYPDWPKHAH-JTQLQIEISA-N 298.249 4.727 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 398087490 VTHRBOYJZNZBDH-STQMWFEESA-N 283.362 4.683 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2c(Cl)cccc2Cl)O1 400821694 QHJJPHPCVUPLJS-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](C)CC(F)(F)F 402903738 RNBSYSBRVJUFDE-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE CCCCCCCCCCNCc1cc(C)ns1 404465603 SESWFMCNWXQFPG-UHFFFAOYSA-N 268.470 4.682 30 10 CJEE CCC1([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)CCC1 686132302 ILLQIZWMHLVDJP-SWKXRBFHSA-N 277.452 4.674 30 10 CJEE C#CCCCCC[C@@H]1CC(C)(C)CC[C@H]1CNCC 686693377 RYWUXVDPZHGIPH-SJORKVTESA-N 263.469 4.622 30 10 CJEE CCCCCCCCC[C@H](O)c1cnn(C(C)(C)C)c1 690441518 BKFIANQOKFCKJB-INIZCTEOSA-N 280.456 4.812 30 10 CJEE CCCCCCCCCCC(=O)C1(N)CC2(CCC2)C1 694627123 IVKPCJBBNFAYFB-UHFFFAOYSA-N 279.468 4.748 30 10 CJEE C[C@H](CC1CCCCC1)N[C@H](CC#N)c1ccccc1 694633327 FKPSCEHDWCCRDI-CRAIPNDOSA-N 270.420 4.590 30 10 CJEE CN(CCCCCCCCCS)C[C@@H]1C[C@@H]1C1CC1 698363235 GJECOLBHIMLXKE-DLBZAZTESA-N 283.525 4.625 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CCCCN1C 700152613 MKTQWNDCTJHRQI-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)c1[nH]c(C)cc1C 706171766 VZUZREFSFHBKNL-HNNXBMFYSA-N 251.414 4.806 30 10 CJEE CCCCCCCCCCCCN(CC#N)C1CC1 706763535 QUTUZJDWGPCDDO-UHFFFAOYSA-N 264.457 4.895 30 10 CJEE C=C(Cl)CC1(CNC(C)C)CCCCCCC1 710629115 AYBXKAPTYGJXFC-UHFFFAOYSA-N 257.849 4.858 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@@H](NC)C1 712756730 CNANKCUWCJKNNV-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1ccc(C(F)(F)F)cc1C(=O)C1=CC[C@@H](C)CC1 713225158 FNPFXFZJPJMLRQ-SNVBAGLBSA-N 282.305 4.943 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](N)CC1CC1 716339570 FATAAKLUSIXMHR-ROUUACIJSA-N 283.500 4.786 30 10 CJEE N#Cc1ccc(NCCCCC2CC2)c2ccccc12 716359740 XOIPMGKOHCWIMC-UHFFFAOYSA-N 264.372 4.704 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)CCc1cc(Cl)cc(Cl)c1 722140422 QZVUGUSTZFAZIW-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 723608247 ORILWWIPXPGGEQ-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723667378 FLLRHWRQZFYOIH-BRWVUGGUSA-N 276.468 4.655 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H](CC)c2ccccc2)CC1 724556406 OFFCFZRPOBFWQJ-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE C=CC1(CC(=O)N2CC=C(C(C)(C)C)CC2)CCCCC1 1153546659 NTHYDXNJAISNEP-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C#C[C@@H](CC)NCc1ccc(-c2ccccc2)c(Cl)c1 1205713721 HAIRCVLJAQWXGY-INIZCTEOSA-N 283.802 4.508 30 10 CJEE C=CC(C)(C)CCCNC1CC(c2ccc(C)cc2)C1 1207447181 AUFJHCAJFXUSTP-UHFFFAOYSA-N 271.448 4.823 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 1207494438 ZQELVCGQCTUJLQ-VQTJNVASSA-N 283.459 4.734 30 10 CJEE C=C[C@H](CC)CC(=O)N1c2ccccc2S[C@@H](C)[C@@H]1C 1265784316 QVOMFYDGZVGBCC-MELADBBJSA-N 289.444 4.505 30 10 CJEE C=CC[C@H]1CCCN(CCOc2cccc3ccccc23)C1 1307914587 IFNMBPFVVVOIFU-KRWDZBQOSA-N 295.426 4.507 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc2c(c1)C[C@H](C)O2 1308963044 OSPQGRQXUPTAGS-KGLIPLIRSA-N 259.393 4.557 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H]1CCCC[C@H]1CC=C 1313001247 IILAMMNNEAKJQC-SJORKVTESA-N 292.467 4.509 30 10 CJEE C=CCCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1348664710 XYFWKLDEJICMJD-UHFFFAOYSA-N 277.367 4.553 30 10 CJEE C#CCC1(C(=O)Nc2ccc3sccc3c2)CCCCC1 1352835420 XWRJHSOYIXZUHV-UHFFFAOYSA-N 297.423 4.814 30 10 CJEE C=CCCCCCCNC(=O)CCc1cccc(Cl)c1 1436191756 XBFZKGFAHFLANH-UHFFFAOYSA-N 293.838 4.525 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cccc(C)c2Br)C1 1462133916 OEEQNKCDEOMSPZ-OLZOCXBDSA-N 294.236 4.914 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C3CC3)cc2F)CCCC1 1462365308 UCFLXHKZKCGHSW-UHFFFAOYSA-N 287.378 4.778 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 1465504524 MRKUBCXWFCZIRH-UHFFFAOYSA-N 292.448 4.665 30 10 CJEE C#Cc1ccc(CN2CC[C@H](CC(C)(C)C)C2(C)C)cc1 1474575863 PKNGFQJFTREGCQ-GOSISDBHSA-N 283.459 4.705 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 1474702108 OJGBGSZKVFTNQE-CWFSZBLJSA-N 299.458 4.523 30 10 CJEE C=CC1(CC(=O)O[C@@H]2CCC[C@@H](C)[C@@H]2C)CCCCC1 1520874701 HBBRPVRGLRVSIQ-OWCLPIDISA-N 278.436 4.881 30 10 CJEE C=CCC(CC=C)C(=O)OCc1cc2ccccc2s1 1526672612 CCRANMDUJVDCGG-UHFFFAOYSA-N 286.396 4.713 30 10 CJEE C#CCCCC(=O)O[C@H](c1ccc2c(c1)CCCC2)C(C)C 1531766226 DHHPZIVSHJKPMK-FQEVSTJZSA-N 298.426 4.609 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCCC1 1532276209 DJEFIDNMYDHRMQ-YESZJQIVSA-N 289.463 4.598 30 10 CJEE C=CCC1(C(=O)N(C)C[C@H](C)C2CCCCC2)CCCC1 1534759418 NNQUBJIDCRNFAD-INIZCTEOSA-N 291.479 4.798 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H]1c1ccccc1 1538733777 ZKBLQZGBRUPTLB-OALUTQOASA-N 299.458 4.775 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(CSC(C)C)c1C 1539291320 VKEXSOBAEDAFEQ-UHFFFAOYSA-N 291.460 4.931 30 10 CJEE C=CCCCC(=O)N(C1CCCC1)[C@H](C)c1ccccc1 1539665351 CGVLGJYMMTVOIG-MRXNPFEDSA-N 285.431 4.875 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 1544688303 DMUPDLYQLRQZSO-INIZCTEOSA-N 299.458 4.626 30 10 CJEE C=C(CC)C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 1545863646 WFUGSWWLVIOUMO-UHFFFAOYSA-N 299.458 4.836 30 10 CJEE C#Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1 1560421192 BPVOLKBBXJIXDA-NRFANRHFSA-N 289.422 4.689 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)C[C@H](C)CC)c1 1563364040 MOBAVYPPAXASTF-KGLIPLIRSA-N 274.408 4.666 30 10 CJEE C=C[C@H](CC)CC(=O)N1Cc2ccccc2-c2ccccc21 1586286592 OTIXCNDLUZGOLW-OAHLLOKOSA-N 291.394 4.803 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1CCC(C)(C)CC1 1587234263 RBKAAAPJJHCTNJ-IAGOWNOFSA-N 291.479 4.844 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](CCC)C(C)C)c1ccccc1 1587282737 IJBKOZFALLWWQY-JKSUJKDBSA-N 260.377 4.529 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CC[C@H](C)c1ccccc1 1616517689 ZFHYXADCGMTCMJ-WMZOPIPTSA-N 285.431 4.528 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1csc2ccccc12 1617459169 XNEVZAROLIJFNT-XJKSGUPXSA-N 299.439 4.766 30 10 CJEE C=CC(C)(C)C(=O)N(C)C[C@@H](CC)CCCCCC 1618726764 HYZAHTYOARAWBE-HNNXBMFYSA-N 267.457 4.654 30 10 CJEE C=CCC1(NCc2cc(Cl)cc(Cl)c2N)CCCC1 1621006785 UWJJGFHFTXJTAJ-UHFFFAOYSA-N 299.245 4.554 30 10 CJEE C=CCCN(Cc1cccs1)C(C)(C)CCC 1645395115 KWFDITMVHLAEFL-UHFFFAOYSA-N 251.439 4.705 30 10 CJEE C=CCC[C@@H](Nc1cc(C(C)(C)C)ncn1)c1ccccc1 1650891305 YICCMAUIDOLAKS-MRXNPFEDSA-N 295.430 4.894 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(F)ccc1F 1653500854 SXFDJDFGSZKIIQ-UHFFFAOYSA-N 287.353 4.543 30 10 CJEE CCCCCCCCN1CCc2cccc(F)c2C1 1654020073 ZEWPTBPRZGYBQH-UHFFFAOYSA-N 263.400 4.544 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 1654177599 FXHJJEAVBIFKNZ-GFCCVEGCSA-N 284.230 4.782 30 10 CJEE C=CCC1(NCc2cccc(C(C)(C)C)c2)CCCC1 1654249177 ILUYCQJEQBSFFI-UHFFFAOYSA-N 271.448 4.963 30 10 CJEE C=CCCCCN1C[C@@H](C)CC[C@H]1c1ccccc1OC 1654416911 BDMBTOYXMUETJX-WMZOPIPTSA-N 287.447 4.825 30 10 CJEE C=C(C)CCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1654431618 XRSZVVLRTRHZQO-OAHLLOKOSA-N 299.336 4.592 30 10 CJEE C=CCOc1cccc(CN[C@H](C)CCCC(C)C)c1 1656636244 OWEJHIFDOKZJOM-MRXNPFEDSA-N 275.436 4.556 30 10 CJEE C=CC(C)(C)CCCNC1CCC(CCC)CC1 1657934151 YWDIOQAVNKJKAG-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2cccc(OC(C)(C)C)c2)C1 1658541527 MHHIZCPKMQETJT-WBVHZDCISA-N 287.447 4.698 30 10 CJEE C=C(C)CN(CC)Cc1ccc(-c2ccccc2)cc1OC 1658673745 LBFCOLIYZDRIHE-UHFFFAOYSA-N 295.426 4.760 30 10 CJEE C#CCCCCCCN[C@H]1CC[C@H](Cc2ccccc2)C1 1659523601 ZWDVPSVIXSZGNW-UXHICEINSA-N 283.459 4.571 30 10 CJEE C=CCC[C@@H](CCC)NCc1cccc(OC2CC2)c1F 1659621193 RXFLJOXBFYUSIB-OAHLLOKOSA-N 291.410 4.591 30 10 CJEE C=CCCCC[C@@H](C)NCCOc1ccc(F)c(Cl)c1 1659827979 XPTKGRNLFSJCQG-CYBMUJFWSA-N 299.817 4.582 30 10 CJEE C=CC[C@H]1CCCN(CCc2ccc(C(C)C)cc2)C1 1660234546 OMAPNGWMPPQARU-SFHVURJKSA-N 271.448 4.641 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC2(CC)CC)c1 1673605093 KGGOSWUTFHDUCX-UHFFFAOYSA-N 286.419 4.906 30 10 CJEE C[C@H]1CCCC/C1=N\OCCOc1cccc2ccccc12 1860467340 JCKQLFNFPZRKIJ-LZICOFPGSA-N 297.398 4.801 30 10 CJEE CCCCCCCC[C@H](NN)C1(C(C)(C)C)CCC1 1876763135 ZONCBVROILJNAE-HNNXBMFYSA-N 268.489 4.785 30 10 CJEE C=C(Cl)Cc1c(Cl)ccc(Br)c1F 1882123526 PVVGUKCSEWGJLY-UHFFFAOYSA-N 283.955 4.537 30 10 CJEE C=C(CN(C)[C@H](CC)CCCCC)c1ccccc1 1883358173 BKBREDSKWOYERK-GOSISDBHSA-N 259.437 4.991 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(C)cc1Cl 1885265594 RVHPCBXOAOIHLX-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 1885274537 MUZFIQAKRHMQHV-LXTVHRRPSA-N 278.245 4.685 30 10 CJEE CCCCCCCN(C)CCCOC1CCCCC1 1887067565 COZJPGXANSXGPW-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C#CC[C@H](C[C@H](NC)c1cccc(Cl)c1Cl)C1CC1 1887491145 YYBGDCRTLQYXLI-DOMZBBRYSA-N 296.241 4.694 30 10 CJEE C#CC[C@@H](C[C@H](NC)c1cc(Cl)cc(Cl)c1)C1CC1 1887518247 QEUDKIHDYICCIT-LRDDRELGSA-N 296.241 4.694 30 10 CJEE C=C(C(=O)[C@@]12CCCC[C@@H]1CCC2)c1ccccc1 1888688152 DRSFRAIBLYMSBH-SJLPKXTDSA-N 254.373 4.629 30 10 CJEE C=C(c1ccccc1)[C@H](O)C1CCC(C(C)C)CC1 1888706066 RYEDHMRIDSXXGT-VJFUWPCTSA-N 258.405 4.523 30 10 CJEE CCCN(CC#CC1CCCCC1)C1CCCCC1 1888738655 XEPRCRAMHQNEIG-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE Cc1ccsc1C=CC(=O)c1cccc(Cl)c1 1912212473 RTGBMULWAVUYNV-UHFFFAOYSA-N 262.761 4.606 30 10 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BOEKUAPULMJNLV-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](N)CSC(C)C 2207403625 JNDFEQIMHWBABG-MRXNPFEDSA-N 299.524 4.721 30 10 CJEE C=CCCCCCCCCN(C)Cc1ccc(N)cc1 2207424039 AIBSAYLJKNXNIF-UHFFFAOYSA-N 274.452 4.617 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCC[C@H]1CN 2207433762 AMLLYXWQNCBPEX-IRXDYDNUSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCC[C@H](N)C(C)(C)[C@H]1CCCO1 2207442727 UBXFBQHDPBPLSU-DLBZAZTESA-N 281.484 4.826 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1C[C@H]1C(C)(C)C 2207444104 GRGUXKWKONQJCM-OAGGEKHMSA-N 282.468 4.739 30 10 CJEE CCCCCCCC[C@H](CN)N(CC(C)(C)C)C1CC1 2207452534 GDKSRGIBWFTKCP-QGZVFWFLSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1C=CCCCC1 2207462833 YUUJYRDGYSKEAZ-IRXDYDNUSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(SC)CCC1 2214613149 KRFLGTJYLDAFBS-CQSZACIVSA-N 256.455 4.550 30 10 CJEE N#C[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCSC1 2218384049 AGHMQNVOCOIIMD-OFQRWUPVSA-N 263.450 4.630 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](F)C1CCC1 2220856905 RIFRLNZGPIDPBP-HZPDHXFCSA-N 257.437 4.853 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](SC)C1CC1 2221146979 BQXGZCNBUGLVRV-HZPDHXFCSA-N 269.498 4.633 30 10 CJEE CCCCCCCCCCCC[C@](C)(CO)OC 2223607627 YNDYKKKSDLVXNU-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE CCCCCCCC[C@@H](C)NCc1scnc1C 2223867080 BWEGCGRNZUZUBJ-CYBMUJFWSA-N 268.470 4.680 30 10 CJEE CCCC#C[C@@H](NCCC)c1cccc2ccsc12 2225432978 CUJLVDHGOLMEST-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CCCC#C[C@H](CSc1ccccc1Cl)NCCC 2225437430 WBYCZHFNKJSHBV-CQSZACIVSA-N 295.879 4.604 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](CCC)OCC 2227274103 UTFPOENEXDDXSX-DLBZAZTESA-N 269.473 4.696 30 10 CJEE C=C(c1ccccc1)[C@]1(N)CCC[C@@H](C(C)(C)C)C1 2229834211 VYLVEQCPVLOANS-AEFFLSMTSA-N 257.421 4.634 30 10 CJEE C=C([C@@H](NCC)[C@H]1CC[C@H](CCC)CC1)C(F)(F)F 2229877773 YOCBBAGIJINREN-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE C=CCCCCCCN(C)C[C@@H](F)C1CCCCC1 2230034639 DEAIKZGJYRMIQB-QGZVFWFLSA-N 269.448 4.973 30 10 CJEE NC1(C#Cc2ccc(Cl)cc2)CCCCCCCC1 2231098033 CXKABXBRLKPCPX-UHFFFAOYSA-N 275.823 4.523 30 10 CJEE CCCCCCCC[C@](C)(O)CCCOCC1CC1 2231904160 YMYPPKGQPFXUHX-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CCCCC)NC 2231923253 KSUARQCHRWRGEC-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1ccsc1 2231934758 LSYNSFBWSWACOO-JKSUJKDBSA-N 283.481 4.510 30 10 CJEE C[C@](C=O)(C[C@H]1C[C@H]2CCC[C@H](C2)C1)c1ccccc1 2233719171 SCRNHZZQSPIPPM-SFNKJDCFSA-N 270.416 4.750 30 10 CJEE CCCC#C[C@H](NCCC)[C@H](c1ccccc1)C(C)C 2233783566 WEGZLXQABRFENS-OALUTQOASA-N 271.448 4.598 30 10 CJEE O=C[C@@]1(CCCCCCC2CC2)CCc2ccccc21 2234159669 HNGFKBAPKRRJMC-LJQANCHMSA-N 270.416 4.820 30 10 CJEE C=CCCCCCCCNCC1(COC)CCCCC1 2235514333 SPOPVRMCRJJRSC-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ccc(C)nc1 2235523203 CHRXMMREMRZQMY-GOSISDBHSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCOc1ccc(F)cc1[C@H](C)O 2235535088 MBOKPCISQVMLGL-AWEZNQCLSA-N 280.383 4.784 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@]1(OC)CCC[C@@H](C)C1 2235538178 HBVIHLPQQPGGKQ-FGTMMUONSA-N 281.484 4.826 30 10 CJEE Cc1cc2cc(Cl)ccc2n1Cc1cccc(C#N)c1 2236140216 FHGYXMDEESUVLK-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCCCCCN1CC[C@H](COC)C1(C)C 2236695945 WQNKKKORMPLMCV-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE CC1=CC[C@](C)(CN(C)[C@H]2CCCCC[C@@H]2C#N)CC1 2237287341 VDRIPZGPYSRQPO-SQNIBIBYSA-N 274.452 4.527 30 10 CJEE C=CC[C@H](CNC1CC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2238876238 UVDKYWPUKFTLRD-XLAORIBOSA-N 275.480 4.927 30 10 CJEE CCCC[C@H](CC)[C@H](C#Cc1ccc(C)cc1)NCC 2239740005 WWTMBDKDIDHWKD-OALUTQOASA-N 271.448 4.541 30 10 CJEE C=CCC[C@@H](C)Oc1c(Cl)cccc1CNC1CCC1 2240228109 NGTQZITZMNIBNE-CYBMUJFWSA-N 293.838 4.716 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CC[C@]1(C)C(C)C 2240577547 ZYGNIVJRFCARCP-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCCCC1CC1 2240644851 NRPJMJUMURLFPX-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CCC(C)C)NCC 2240666527 NPYPTMHLNOCOKQ-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](C)NCc1csc(COC)n1 2240666543 NUHYJUIUJHOMIW-CQSZACIVSA-N 298.496 4.518 30 10 CJEE C=C(C)CCCC[C@H](COCc1ccccc1)NCCC 2241952891 USCUBECLPUROHN-LJQANCHMSA-N 289.463 4.708 30 10 CJEE SCCCCCCCOc1ccc(Cl)cc1 2245879558 UYZQWAUDBNEXGH-UHFFFAOYSA-N 258.814 4.599 30 10 CJEE CC(C)(C)C#CC=CCc1csc(C(F)F)c1 2248458203 KBGKUCOFOYKLHD-UHFFFAOYSA-N 254.345 4.834 30 10 CJEE C=CCCC(C)(C)CNCC[C@@H]1CCC[C@@H](C)C1 2253949959 ARYWVLSDIBRHCO-CVEARBPZSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC1(N)CCP(=O)(CC)CC1 2256334449 ATMXOJKZNCVLGZ-UHFFFAOYSA-N 273.401 4.611 30 10 CJEE CCc1ccc(C#N)c(SCC2CC(C)(C)C2)c1 2256475997 OKGNKHABHJLTPF-UHFFFAOYSA-N 259.418 4.649 30 10 CJEE CC#CCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2258559840 UQDCMRDBKCPNRV-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCCC[C@H]1C 2259128973 VGFLLJWRVANIMA-FMKPAKJESA-N 251.414 4.548 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(OC)cc1Cl 2259174424 YENLAJGMLWKKLF-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(OC)c1Cl 2259190161 JSLMCFQOBQNTDH-CYBMUJFWSA-N 268.784 4.519 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(-c2cccs2)s1 2260401957 MNSNSKIRYKBNHA-GFCCVEGCSA-N 277.458 4.778 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CC[C@@H](C(F)(F)F)C1 2264940309 MAEGIKCZORSBAV-QWHCGFSZSA-N 274.326 4.815 30 10 CJEE CCC(C)(C)N(CCC#N)CC[C@H]1CCC[C@@H](C)C1 2265054802 QSBRXQIHBTUALC-HZPDHXFCSA-N 264.457 4.607 30 10 CJEE Cc1cc(N[C@H]2CCC[C@@H](C)CC2)cc(C)c1C#N 2265854334 PZHLIFXQBSYBQD-DOMZBBRYSA-N 256.393 4.556 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cscc1C(F)F 2268819783 GPAPMILNEKCAGZ-ZDUSSCGKSA-N 283.387 4.681 30 10 CJEE CN[C@@H](CCC#CC1CCCC1)c1ccccc1Cl 2274131977 XXPHRVXQWQBCNZ-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE C=C(c1ccccc1)[C@@H](O)C1CC(CC(C)(C)C)C1 2274197836 PDYCJSBVNBGSKX-BDVYOWHSSA-N 258.405 4.523 30 10 CJEE CCCCCCCCC[C@H](CCC1CC1)OCCN 2276250640 CXLWMPJHKHPZBA-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE Cc1ccc(C(=O)C#Cc2ccccc2Cl)cc1Cl 2277777746 GJXKHJCIFXJQOL-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C(C)=C(C)C 2278178491 OPEZPINCZGHPSI-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@H](O)c1scc(OC)c1OC 2278747050 XIYZSOOKYOHJEY-LBPRGKRZSA-N 286.437 4.549 30 10 CJEE C[C@](C#N)(C[C@@H]1CC(F)(F)C12CCC2)c1ccccc1 2280995720 MXQRZGSLKJCLCI-HUUCEWRRSA-N 275.342 4.683 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc(OC)nc1C 2281526889 ROMPEYLGLFZYMI-AWEZNQCLSA-N 278.440 4.950 30 10 CJEE CCCN[C@@H]1CC[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC 2284084396 QZNWTIQIRALDCO-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@]1(C)CCCS1 2284086343 PKGVCROYHJZCQF-WMZOPIPTSA-N 293.520 4.636 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(OCC)CCCCCC1 2287416443 ZUVHDAJTZMFFIR-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@]12CCC[C@H]1CC2 2288973862 DXDYQLVYHFXRAB-YQVWRLOYSA-N 273.464 4.541 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cccc(C(C)(C)C)c1 2290289570 NONBRLKCEHJPSL-BEFAXECRSA-N 272.432 4.922 30 10 CJEE C#CC[C@@H](CN(C)[C@H]1CC(C)(C)CCC1(C)C)C1CC1 2290339736 XJORFXLJHYRPLL-IRXDYDNUSA-N 275.480 4.573 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)CC[C@H](C)C1 2290628271 UOMPCDARZJBMEL-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@@](C)(CCC(C)C)OCCC(=O)O 2291443026 DJNFXJYPUGKMES-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCC[C@H](OCC(=O)O)c1sc(C)c(C)c1C 2291669109 VGHCCRDGWDUZRC-AWEZNQCLSA-N 296.432 4.562 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@H]1[C@@H](C)[C@H]1C 2292645559 FZOQPMCHPQOACN-MHORFTMASA-N 281.484 4.539 30 10 CJEE C=CCCC[C@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2293899851 ZMHPIFKGHQFQMH-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)[C@](C)(OCCCN)C1(C)CCCCC1 2294217584 FLYWLNAIDGXORE-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@]1(OCCN)CC[C@H]2C[C@H]1C2(C)C 2294341806 FYJRFNOLBWCPSE-XYJFISCASA-N 281.484 4.517 30 10 CJEE C#CCCCCC[C@@](C)(CCCCCCC)OCCN 2294442481 VFQIYDRFIXSDDY-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CCC(C)(F)F 2295597202 SCGAGISIYMKGQZ-OAHLLOKOSA-N 292.410 4.883 30 10 CJEE CCCCCCSC[C@](C#N)(NCCC)C1CCCC1 2295710369 GLNFLVPPQZZLPB-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Cl)cc1CNC(C)C 2313695891 PSYHOFKRABRDGA-GFCCVEGCSA-N 283.868 4.895 30 10 CJEE Cc1ccc(SC[C@H]2CC[C@H](C)CC2)c(C#N)c1 2313839501 DGVLFJCIKGJFQI-MQMHXKEQSA-N 259.418 4.785 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CNCC 2314003820 XAVANPGQIPIYRY-LBPRGKRZSA-N 283.868 4.815 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCCC(C(C)C)C(C)C 2315423135 ZQYSZEQQWHUUSC-DOTOQJQBSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2316732522 WZVKVVCNZSMADG-OAHLLOKOSA-N 284.230 4.936 30 10 CJEE Clc1ccc(C(=NOCc2ccccc2)C2CC2)cc1 2318633736 NNIQLCMOPADNFS-UHFFFAOYSA-N 285.774 4.671 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2321228937 QNCFDXZFBWKQJE-FXUDXRNXSA-N 250.426 4.556 30 10 CJEE CCCCCCCCC[C@]1(F)CCN[C@@H](C)[C@H]1C 2321336460 WPBJHSVEJHEPBC-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=CC12CC(CCN1Cc1cccc(Cl)c1Cl)C2 2326726587 MEFNLIYPBQKNQP-UHFFFAOYSA-N 282.214 4.534 30 10 CJEE C=CC[C@H](C)S[C@@](C)(CCCCCCC)C(=O)O 2327018870 QNTQJPXZJYWPSG-ZFWWWQNUSA-N 272.454 4.888 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329821628 KYRLZSATKKIUFR-XSLAGTTESA-N 263.469 4.927 30 10 CJEE Cc1cc(C(=NOCc2ccccc2C)C2CC2)ccc1F 2330366342 RKOAYKGPBQQSJV-UHFFFAOYSA-N 297.373 4.773 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(Cl)cc1 2335096815 RAMMUEGHEGLOQN-MRXNPFEDSA-N 295.879 4.855 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC1CCC(C(C)(C)C)CC1 2337078891 IKKUQIKQOKGDGN-ZGRYLRDCSA-N 263.469 4.926 30 10 CJEE CCCC[C@H](C)CC[C@@H](C#CC1CCC1)NCCC 2337440582 ZNHYYHZCXXPRJV-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1c(C)oc2ccccc12 2338690723 KJXOOKDPEURVKS-QGZVFWFLSA-N 256.345 4.543 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@]1(C)CC=CCC1 2338730107 NJKQXYDZLQZAKX-ZWKOTPCHSA-N 261.453 4.869 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCCC)CCCC1(C)C 2338741727 PMQOMHKVNBTEFH-SFHVURJKSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1csc(CCC)n1 2338747293 PBQDXACMLHQMCG-MRXNPFEDSA-N 278.465 4.515 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CC(C)=C[C@@H](C)C1 2338747759 SWDDHWOGDQNJBU-JLSDUUJJSA-N 261.453 4.725 30 10 CJEE CN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2339558684 CCNFGMDARCEAEC-BXUZGUMPSA-N 296.241 4.612 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@]1(C)CCCCC1(F)F)NCCC 2341881049 SJBLBAMNKFWKOD-ZNMIVQPWSA-N 271.395 4.536 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1CC[C@@H]1C(C)(C)C 2343186132 KAFNNODYBOOZML-GJZGRUSLSA-N 265.441 4.795 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2344411188 FVPPNPXOAOKBSZ-CXTNEJHOSA-N 270.363 4.619 30 10 CJEE CC(C)[C@@H](CS)COCC1CCC(C(F)(F)F)CC1 2353167491 OUWDLUNCKBKUSW-OTTFEQOBSA-N 298.414 4.574 30 10 CJEE CC(C)C[C@@H](CS)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 2353829279 YHWYHYVZMRZBAA-KCYZZUKISA-N 284.509 4.810 30 10 CJEE N#C[C@@]1(C[C@@]23CCCC[C@@H]2C3)CCCc2ccccc21 2357380864 JVHDXMTWVLAJBP-NEWSRXKRSA-N 265.400 4.755 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@@H](N)c1ccc(CC)cc1 2360335648 COGYZVQLGAWFHZ-RDTXWAMCSA-N 289.488 4.891 30 10 CJEE C=C(C)Cn1c(-c2ccccc2C)nc2ccccc21 40239445 IVCCPHVALAZZEE-UHFFFAOYSA-N 262.356 4.588 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2ccc(F)cc2)cc1 41385518 ZMXSUUNEJQLYEG-QGZVFWFLSA-N 267.347 4.799 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(C)cc1Cl 44814117 IENCQNGLANOGKQ-UHFFFAOYSA-N 292.810 4.697 30 10 CJEE CCCc1ccccc1/N=C1/N[C@@H](c2ccccc2)CS1 63002503 QYZGQFLTTMBSBH-QGZVFWFLSA-N 296.439 4.704 30 10 CJEE Clc1ccc(C#Cc2ccc3ccccc3c2)cc1 67736690 COLHWNHCPPKPIU-UHFFFAOYSA-N 262.739 4.893 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](O)CC 73158313 BYVWJIVWLZOQNB-HNNXBMFYSA-N 256.430 4.637 30 10 CJEE CC(C)c1ccc(-c2nc3cccc(Cl)n3c2C#N)cc1 74374941 KPVQXYJJQXKNDJ-UHFFFAOYSA-N 295.773 4.650 30 10 CJEE CCN[C@@H](C)c1ccc(SCc2ccccc2C#N)cc1 79581410 UCBWXXIKAKQFJK-AWEZNQCLSA-N 296.439 4.521 30 10 CJEE C=CCCC(C)(C)[C@H]1CC[C@@H](C)C[C@H]1NCCC 85157276 NNOFJFLSJHBURX-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CCCC1CC(C#N)(c2ccc(C(C)(C)C)cc2)C1 86545515 YQTPYNIPWOHCMM-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2ccc(OC)cc2)CC1 86949147 SHJRKMHNPGBOEW-CRAIPNDOSA-N 286.419 4.750 30 10 CJEE CC1CCC(C#N)(c2cccc(C(F)(F)F)c2)CC1 88691782 RKUBTHLMYBAHPA-UHFFFAOYSA-N 267.294 4.677 30 10 CJEE CCC(CC)N(CC(C)C)C[C@@]1(C=O)CCC[C@H](C)C1 93310185 REANCQJIBUFAMK-FUHWJXTLSA-N 281.484 4.528 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)nc2ccccc12 97219889 LTZRMVVUDCMNNZ-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCC[C@H](C(F)(F)F)C1 97220114 BCCPFKVZTJJRBO-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCCCCNCCN1CCCC1 105927818 BMHPUFNQPJNPEQ-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1[C@@H](C)O 110369719 HGUGHDWQARHSJZ-GFCCVEGCSA-N 270.800 4.743 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2nccnc2c1 112319963 NRBCUXJFRVZNQM-GOSISDBHSA-N 286.419 4.804 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(F)cc1F 112887885 JANGXIFTVQSQCP-OAHLLOKOSA-N 256.336 4.749 30 10 CJEE CCCCCCC[C@@H](CSC1CCCC1)NC 114868105 FUNHTZSZXNPYKD-AWEZNQCLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCCO2 115855390 AORCMHTVGSRBQT-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1cc(Br)ccc1C#N 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30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1OCC[C@@H]1C 229029907 GAJBQXBKSABGBM-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=C[C@@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 229321390 GVFVATABAJUXFH-NOZJJQNGSA-N 258.192 4.609 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 230988027 PQMSVFSWSDWYEP-JSGCOSHPSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCC(=O)c1cccc(OC)c1N 231112345 IKSLJSRLKVLBIJ-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE C=CCCCCCNc1ccccc1OC(F)(F)F 236122343 LKPZQYPQBHWERA-UHFFFAOYSA-N 273.298 4.744 30 10 CJEE C=CCCCCC[C@H](NN)c1cc2c(s1)CCCCC2 236246523 HQMJSTZYQPLCCN-HNNXBMFYSA-N 292.492 4.658 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 250576303 SCGGOYHLQVZJLP-KURKYZTESA-N 265.485 4.887 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1CCC 250820922 LFLMYFRFMSVUDF-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H](CC)CC2)C1 251348226 NHYNYMMPMUDAEH-MLHJIOFPSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CC[C@@H](OCC2(CS)CCCCC2)C[C@H]1C 251763077 KGUXZEBYJJIYRU-RBSFLKMASA-N 270.482 4.708 30 10 CJEE Cc1ccc(C=Nc2sc3c(c2C#N)CCCCC3)o1 254851114 LKJHUYQTJNIIFZ-UHFFFAOYSA-N 284.384 4.541 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](C)CSC 305939079 LBRAQAWDLKLQTD-LSDHHAIUSA-N 259.503 4.844 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](CC)CC(C)C 308095381 LVXPSZLRTHQZKR-DLBZAZTESA-N 265.485 4.867 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccsn1 311650386 CFNMBJOLVXNUCV-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE C=C(CC)Cn1c(S)nc2cc(Cl)c(Cl)cc21 313537585 NZKBFXNHIKJKGN-UHFFFAOYSA-N 287.215 4.598 30 10 CJEE C[C@H]1CCC[C@](C=O)(CCCCc2ccccc2)C1 316716792 DZEMNJJCDHGUCV-FUHWJXTLSA-N 258.405 4.795 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316816890 QLGNZAIJCADKEV-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317506903 HANSYHSPJLCJTL-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE CC1(C)CCC(C=O)(C/C=C/c2ccccc2)CC1 317876519 MEEZAEDIAUHZQF-RMKNXTFCSA-N 256.389 4.875 30 10 CJEE CCCCCCCC[C@@H](CN1CCCCC1)NCCC 328180139 NBBVVYGULYSNQG-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C#C[C@H](N[C@@H](CCCCC)c1ccccc1)C(C)C 381652855 DSNVDSLVWHEGBT-ROUUACIJSA-N 257.421 4.555 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@]1(O)CCCCC12CCCC2 385235519 UTGVSRDIQZKOKS-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@@H](C2CCCC2)CS1 386422416 YOBQIBQCMHMYEL-LSDHHAIUSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCCC(=O)CC[C@@H](N)CC 391685919 VYODXMVNYIJZDT-HNNXBMFYSA-N 255.446 4.604 30 10 CJEE CC(C)(C)CC[C@@](C)(O)C1(C#N)CCC(C)(C)CC1 394064889 XBTOEXKSOWVYPV-MRXNPFEDSA-N 265.441 4.674 30 10 CJEE CC[C@H](CC(F)(F)F)CC1(C=O)CCC(C)CC1 402429762 GQODQKSQVDOANF-CPCZMJQVSA-N 264.331 4.751 30 10 CJEE C=CC(C)(C)CCN[C@H](c1ccc(F)cc1)c1cccnc1 624037333 WIODKSBUFQGMQY-GOSISDBHSA-N 298.405 4.502 30 10 CJEE C#CCCCCCOc1ccc([C@@H](C)NCC)cc1Cl 686685896 ONQIRZFMYCKHMM-CQSZACIVSA-N 293.838 4.583 30 10 CJEE N#C[C@]1(Cc2ccsc2Cl)CCCc2ccccc21 688005509 DRRGVHVJYDLYIH-MRXNPFEDSA-N 287.815 4.742 30 10 CJEE CCCCCCCCOCc1csc(CNCC)c1 695027989 YRPLFMGTLRIZSU-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2c(c1)NCC2 695624440 YZKNBIUQZGADDD-SFHVURJKSA-N 275.436 4.829 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)C1CCC(C2CCC2)CC1 695792384 JBCWEGJZIRVTTC-ODIFPOPNSA-N 276.468 4.605 30 10 CJEE C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)CC1 697856344 UHYNLOWQIPIYET-XJKSGUPXSA-N 290.838 4.612 30 10 CJEE CCCCCCC[C@H](C#N)N(CCC)C(=O)OC(C)(C)C 698922651 XVNVITJJUCIQBP-OAHLLOKOSA-N 296.455 4.886 30 10 CJEE CC[C@@H]1S/C(=N/CC2CC(C)(C)CC(C)(C)C2)N[C@@H]1C 699565851 HYUVEOMLCABJPU-OCCSQVGLSA-N 296.524 4.698 30 10 CJEE FCC[C@@H]1CCCN(CCCCCCCCCS)C1 701692864 NNLZOGUVCACTLQ-INIZCTEOSA-N 289.504 4.719 30 10 CJEE CCCCCCCC[C@@]1(N)CC[C@H]2C[C@H]1C2(C)C 704417352 YDAFPZDHONCGDE-YQQAZPJKSA-N 251.458 4.891 30 10 CJEE CCOc1ccc([C@H](C#N)[C@@H]2CCCC[C@H]2C)cc1 704940799 MMIIPEOUTZGFHJ-XYPHTWIQSA-N 257.377 4.519 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCS[C@@H]1C 704956425 ALPYDADAVABZMR-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE C=CCSc1ccccc1N[C@H](C1CCC1)C1CC1 705302998 LOMFQXGKUPZNBN-QGZVFWFLSA-N 273.445 4.955 30 10 CJEE C=C(Cl)C[C@H](CC1CCCCCC1)NCCC 710662662 FYBXQHIAYDUXDR-OAHLLOKOSA-N 257.849 4.858 30 10 CJEE CC[C@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 711149119 SVPQSLZRMPTKAP-HIFRSBDPSA-N 291.822 4.979 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1cc(C#N)ccc1Cl 713044221 NXWJPPYFUREARF-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE C=C(C)CC[C@@H](C[C@H]1CCCC1(F)F)NCCC 713949093 DFYIGLUYEWKSQP-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 715801160 WZXLBTTWHGEBOA-ABAIWWIYSA-N 286.246 4.726 30 10 CJEE C=CCSCc1cccc(Cl)c1Br 719432703 RMARBDYZYBLAMA-UHFFFAOYSA-N 277.614 4.522 30 10 CJEE CCCCCCC[C@H](O)C1CCC(SC)CC1 720405429 KJJWLWIZEVBJLW-NRXISQOPSA-N 258.471 4.630 30 10 CJEE C=C(CN[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 723610501 IHGOAFREQAKKGW-CEXWTWQISA-N 269.432 4.648 30 10 CJEE CCCCCCCCC1(CNCC)C[C@@H](C)O[C@H](C)C1 724297960 VHOBKSAICOTEFX-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C(C)CCSCc1nc(Cl)ccc1Cl 795390936 RBNFASKVENEUFG-UHFFFAOYSA-N 262.205 4.588 30 10 CJEE C=CCC(CC=C)C(=O)NCC(CC)(CC)c1ccccc1 1126572289 QBMBMUOBEQJGJW-UHFFFAOYSA-N 299.458 4.629 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 1128801030 CYDXWWDZOWEMFV-UHFFFAOYSA-N 299.748 4.963 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)CC1CCCCC1 1134729201 WKNVNJSYEZYWFY-ZWKOTPCHSA-N 291.479 4.940 30 10 CJEE C=C(C)CSc1nc2cc(C(F)(F)F)ccc2s1 1165363910 QOFBOXQHVCQBRV-UHFFFAOYSA-N 289.347 4.983 30 10 CJEE C#C[C@@H](Nc1nc2cc(C)ccc2s1)c1ccc(F)cc1 1186541928 WNGPFMIPTNMLQB-CQSZACIVSA-N 296.370 4.530 30 10 CJEE C=CCCN(Cc1cccc(CC)c1)OCc1ccccc1 1193563258 KVUFBVBULCRZBI-UHFFFAOYSA-N 295.426 4.759 30 10 CJEE C=CCC(C)(C)CNC[C@@H](C)CC1CCCCC1 1202554951 WRBALYGKIZVPID-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(C2CC2)cc1 1203571858 KSSPXKMDSVDBHB-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C#C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccc(Cl)cc1 1206085398 WGQFPDNYBQDIJW-IAGOWNOFSA-N 289.850 4.963 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(Cl)c(SC)c1 1206338380 PHFHQKINUPJHQB-UHFFFAOYSA-N 298.839 4.540 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H]2C(C)C)c(Cl)c1 1207703495 DJUYWGKNFMYCCA-ZFWWWQNUSA-N 261.796 4.558 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(C2CC2)cc1F 1308799095 DYDKXIGOEMNIMN-MRXNPFEDSA-N 261.384 4.538 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc(C)c(C)c2)CCCCC1 1357130957 CWPBNTDAKWBUAT-UHFFFAOYSA-N 285.431 4.793 30 10 CJEE C#Cc1cccc(N(CC)C(=O)/C=C/C2CCCCCC2)c1 1359979211 ZDLANZGLUDMHNM-CCEZHUSRSA-N 295.426 4.547 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1435913151 GNGSMHXWSLDOKU-SJORKVTESA-N 291.479 4.866 30 10 CJEE C=CCCCCCSc1nc2cnccc2s1 1459175014 XLSOJXBQWLOMLK-UHFFFAOYSA-N 264.419 4.530 30 10 CJEE C=CCCC1(CNC(=O)C2(C)CCCCC2)CCCC1 1461533430 RZWQLROZLNSVCU-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C(C)c1cccc(NCc2cccc(CC)c2)c1 1461810950 KIZYAJNVTDNPBN-UHFFFAOYSA-N 251.373 4.894 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC(C)(C)c2cc(Cl)ccc21 1462059002 JTVFJWZEXBXQLW-GFCCVEGCSA-N 291.822 4.567 30 10 CJEE C=C(C)c1cccc(NC[C@@H]2CCc3ccccc3C2)c1 1462646042 LREHGLUBZZVXIM-MRXNPFEDSA-N 277.411 4.937 30 10 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289.438 4.827 30 10 CJEE Cc1ccc(CN(Cc2ccccc2)C(C)(C)C)cc1C#N 1653731183 IPTJNSYTEPDQOK-UHFFFAOYSA-N 292.426 4.667 30 10 CJEE C=CCCC(C)(C)NC/C(C)=C\c1ccccc1COC 1656693903 MOWZASWFWWJLKO-SSZFMOIBSA-N 287.447 4.571 30 10 CJEE C=CCCC1(CN[C@H](C)CCC(C)C)CCCC1 1658541835 HGTKHZOBCAMZIG-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C(C)c1cccc(NCc2c(Cl)ccnc2F)c1 1659047367 BUOGTBLJNIXZJZ-UHFFFAOYSA-N 276.742 4.519 30 10 CJEE C=C(C)CN(C/C=C/c1ccc(F)cc1)Cc1ccccc1 1659082095 YOUZEPFOYTVIKJ-RMKNXTFCSA-N 295.401 4.917 30 10 CJEE C=CCC[C@@H](CCC)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 1659161211 FRELGGWUOWBKNB-SLFFLAALSA-N 297.486 4.905 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 1660164919 OZTKRMNYFAJHLW-VINWQNLFSA-N 267.416 4.956 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C)c1 1665516138 UPGFAVFTNCIAOS-DOTOQJQBSA-N 286.419 4.560 30 10 CJEE Cc1cccc(C)c1C12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798195 HONMDQGYCXXCLL-UHFFFAOYSA-N 298.235 4.571 30 10 CJEE C=C(CN[C@@]1(C)CCCC(C)(C)C1)c1ccccc1 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CCCCCCC[C@@H](NCC)c1ncoc1C(F)(F)F 2160330654 MHHBXHPPTKYIET-LLVKDONJSA-N 292.345 4.705 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C(C)C)N(CC)CC 2160470997 CMOWKPVYARBTOF-MSOLQXFVSA-N 284.532 4.691 30 10 CJEE CCCCCCCCO[C@@H]1[C@H](NC)CC(C)(C)C1(C)C 2160553353 CJRNWIGPFLJBBR-HZPDHXFCSA-N 283.500 4.776 30 10 CJEE C=CCOc1ccc(C(=O)CC(C)(C)C(C)(F)F)cc1 2163964253 VCWGRGOXRLKLEJ-UHFFFAOYSA-N 282.330 4.506 30 10 CJEE C=C([C@@H](NCCC)C(C)(C)[C@@H]1CCCCO1)C(C)(C)C 2164194647 FROUUSPMLWOQRY-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCc1nnc([C@H](CC)NC)s1 2164496836 NDTRQELBTAERKQ-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE C=C(CN[C@@H]1C[C@H]2CCCCCC[C@@H]21)c1ccccc1 2166181246 BLFQKIPREHSQKX-CEXWTWQISA-N 269.432 4.648 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(C)c(F)c(C)c2)CCC1 2168024480 UVPJZPYCMJLOMI-MRXNPFEDSA-N 275.411 4.840 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccnc3ccccc23)C1 2168546911 CVJKWQNQNVUCGD-SFHVURJKSA-N 264.372 4.596 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)cc(OCC)n1 2168825856 RJADONKSPAEAPM-MRXNPFEDSA-N 279.424 4.573 30 10 CJEE C#CCCCC[C@@H](NCCC)C12CCC(CC1)C2(C)C 2173469374 ZECLWSXPNATHBG-TVRKMHQQSA-N 275.480 4.765 30 10 CJEE CC1(F)CCC(Nc2ccc(C(C)(C)C#N)cc2)CC1 2174207549 SCEWRTWXBKTLCZ-UHFFFAOYSA-N 274.383 4.570 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc2c(ncn2C)s1 2175236344 MEHFZSWCPMQZHQ-CYBMUJFWSA-N 293.480 4.646 30 10 CJEE CCC[C@H]1CCSC(=NCC2(C)CCC3(CC2)CC3)N1 2176594366 YDGYCULBFNQZPP-AWEZNQCLSA-N 294.508 4.598 30 10 CJEE CC1(C)CC2(CC(C3(C#N)Cc4ccccc4C3)C2)C1 2183713123 HTWDYCAQEQRISB-UHFFFAOYSA-N 265.400 4.512 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N1CCCC2(CCCC2)C1 2184417391 UJFGGWPXLHHVFO-UHFFFAOYSA-N 292.785 4.511 30 10 CJEE CCCCCCCCCC[C@H](CC1CC(C)(F)C1)NN 2185627141 BVOCYMPTWXFTBH-AQFXKWCLSA-N 286.479 4.877 30 10 CJEE CCCCCCCCCc1noc([C@@H](C)CCC#N)n1 2187991248 HHNGXOQXPAPRTG-AWEZNQCLSA-N 277.412 4.770 30 10 CJEE CO[C@@H]1C[C@](C#N)(CC2C[C@@H](C)C[C@H](C)C2)C12CCC2 2190412456 ZOSIJOHQJGIXTF-DIECFANBSA-N 275.436 4.548 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2)CCOC12CCCCC2 2190621549 JRLOMSCKDVJBNT-INIZCTEOSA-N 289.806 4.516 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C[C@]1(C)C[C@@H]1C)NC 2190953952 QNEHABOJKNQFPP-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CCC[C@@H]1C(F)(F)F 2194059286 NNTNPXVLQLEQGI-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCC[C@H](NC)C12CC(CCO1)C2 2196604540 XNKSJIDSIFWWEW-ADKAHSJRSA-N 281.484 4.674 30 10 CJEE C=C[C@H](NCc1csc(C2CCCCC2)n1)C1CCC1 2197825712 RUMIKHGNEQRFMJ-INIZCTEOSA-N 290.476 4.635 30 10 CJEE CC[C@H](C)[C@H]1CSC(=Nc2ccc3ccccc3c2)N1 2201219599 WVIZDUROMLQUCT-BLLLJJGKSA-N 284.428 4.578 30 10 CJEE CCCCCC#CC[C@](O)(CC)C1CCC(F)(F)CC1 2203750998 LSUYTCPKTPHCNL-MRXNPFEDSA-N 286.406 4.927 30 10 CJEE CCCCCC#CC[C@H](NCC)c1csc(CCC)n1 2203806140 AXVZUDSEXIFPQT-HNNXBMFYSA-N 292.492 4.720 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@H]1CC2CCC1CC2 2203820707 XWAVJOUGSYNIGH-WZOJCFFYSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@@H](N)c1c(Cl)nc2ccccn12 2206885507 MISHXPRSODTDFX-CYBMUJFWSA-N 291.826 4.514 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CCCCO1)NCCC 2206895818 XQOBCCHQLBTCQC-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H](C)[C@H]1CCCCO1 2206896386 DSTPDSXXYJSMBC-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCN1C[C@H](C)[C@@H](COC)C1 2207378119 QXFXCFYPRFDUIE-ZWKOTPCHSA-N 281.484 4.508 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCC[C@H](C)C1 2207381658 KKJXXFSMXVMXRF-WMZOPIPTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CC[C@H]1CCCN1 2207391583 MVMPANJURWNSNX-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccnn1C1CC1 2207395422 DOZURZWYSZOCPW-INIZCTEOSA-N 275.440 4.525 30 10 CJEE C=CCCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1NC 2207401287 AWKACZGBTUYMAC-KSZLIROESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@](C)(O)CCC1CC1 2207428390 XPRNEMYDUCIUDW-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H](C)O[C@@H]1C 2207436830 NXEGUFKUNDXVMK-TVFCKZIOSA-N 282.468 4.858 30 10 CJEE C=CCCCCCCCCCOC(C)(C)[C@H]1CCNC1 2207441803 KZRCRQMCPPSFEJ-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE Cc1csc([C@@H](C#N)Nc2ccc(Cl)cc2)c1C 2218810669 QAYHLURQVBBTJJ-CYBMUJFWSA-N 276.792 4.695 30 10 CJEE CCCCCCCO[C@H](CCC)CN[C@@H](C)CC 2222607723 JEMSQLWJUSANAH-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1CC12CC2 2223855893 XMCDXVDCZPRCAH-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCCNCc1ccc(C(F)F)o1 2227269764 AYZGEAZFYFMFTK-UHFFFAOYSA-N 271.351 4.833 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCc2ccccc21 2227277033 WARXAWKFUQFAQS-GOSISDBHSA-N 257.421 4.704 30 10 CJEE C=CCCCCCCCOc1ccccc1[C@@H](C)N 2227281801 ICSHMEBLZJUPRA-OAHLLOKOSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@H]1C(F)(F)F 2227291504 RLKULFYXUPQKGT-UONOGXRCSA-N 277.374 4.643 30 10 CJEE CCCCCC#CC[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2229852854 XEDZUHFFDVUDDR-AEFFLSMTSA-N 264.453 4.928 30 10 CJEE CCCCCCCCNC1(C)CC2(CC(F)(F)C2)C1 2230676388 PAHZHYYMLNDLGH-UHFFFAOYSA-N 273.411 4.905 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2230717784 QFOXRWVWHFDOBF-HSFUPAIVSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCOCC1(CNCCC)CC1 2230990107 MNDLPPHRJAFQKJ-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](O)CC(C)(C)C1 2230996294 UTVJPLAEJSKVHF-HZPDHXFCSA-N 270.457 4.693 30 10 CJEE CC[C@@H](C[C@H](O)C#Cc1cccc(Cl)c1)C(C)(C)C 2231103510 OQXOCGLABLPPJP-GOEBONIOSA-N 278.823 4.515 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1ccc(C)cc1Cl 2231487223 QNKUVFFBTAJLTQ-KRWDZBQOSA-N 277.839 4.525 30 10 CJEE C=CC[C@H](C)Oc1cccc(CN[C@@H](C)CC)c1Cl 2231582694 RXEZBTTYOQCPJI-STQMWFEESA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@H](C(C)(C)C)CO1 2231856714 PUNCJEMGQXPORI-RDJZCZTQSA-N 269.473 4.735 30 10 CJEE C=CC1(C[C@@H](O)C2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233642210 KVRWHOMVTCOCFB-JALIKCBVSA-N 284.390 4.555 30 10 CJEE C=CC1(C[C@@H](N)[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233647597 BPIWFJFKJKITLL-APIJFGDWSA-N 283.406 4.522 30 10 CJEE C=CCCCCCCC[C@@]1(CNC(C)C)CCCOC1 2235521506 JZNHOHPHCCJPTG-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](O)C(C)(C)N1CCCCC1 2235525275 ZBEXTVUZMHWFSJ-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)c1sccc1C 2235541860 MBXAEHALPAFFIR-JKSUJKDBSA-N 295.492 4.595 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)c1ccc(C(F)F)cc1 2239474634 XCEZIKFIKVXMCI-UHFFFAOYSA-N 290.696 4.512 30 10 CJEE N[C@]1(C#Cc2ccc(Cl)cc2)CCCC12CCCCC2 2239568382 VGTGPFHZPJCGOS-SFHVURJKSA-N 287.834 4.523 30 10 CJEE CCCCCCC[C@@](C)(N)CC12CCC(OC)(CC1)C2 2240292074 XQKIKBDHDDFLNN-WWDZGPRUSA-N 281.484 4.804 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1CC[C@H]2C[C@H]1CO2 2240613018 REFKYSPJDVLFHJ-OWSLCNJRSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@@H](OC)[C@@H]2C1 2240666382 MFTDGMBNGUBJNX-YYWYGQEZSA-N 281.484 4.529 30 10 CJEE C=CCN(CCCC[C@@H]1C[C@H]1C)Cc1ccccc1 2241388397 IVFMKCMCHQMXOH-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE C=CCCSCc1cc(Cl)ccc1Br 2241926751 WVRXMUBZYAOCNY-UHFFFAOYSA-N 291.641 4.912 30 10 CJEE C=CCCCCCCCSCC(=O)CC1CC1 2250032805 JWJHACKGIMIAEY-UHFFFAOYSA-N 254.439 4.615 30 10 CJEE FC1(F)CCCC[C@@H]1CSC[C@H](CS)C1CCC1 2256115167 WXMMQHVZEFORJT-QWHCGFSZSA-N 294.476 4.891 30 10 CJEE CO[C@@H](CSC[C@@H](CS)C(C)(C)C)C1CCCC1 2256662116 ZBXVOLCYEPIEHT-KGLIPLIRSA-N 290.538 4.517 30 10 CJEE SCC1(CSC2CC3(C2)CC2(CCC2)C3)CCC1 2260950471 MMOMPMVKIJIFGX-UHFFFAOYSA-N 282.518 4.933 30 10 CJEE C=C(Cl)C[C@@H](Cc1ccc(Cl)c(F)c1)NCCC 2263463512 AWUIBVMMLVYOBG-LBPRGKRZSA-N 290.209 4.532 30 10 CJEE C[C@@H]1CCC[C@H](CCC2(C#N)C[C@@H](C)O[C@H](C)C2)C1 2265060387 LUMXQQZUSCILBJ-KLHDSHLOSA-N 263.425 4.690 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@]1(C=O)CCCCC1(C)C 2271716379 FGSMVNFWQXEWQR-YOEHRIQHSA-N 268.441 4.613 30 10 CJEE C=C(C)CCCCOc1cc(C)c(Cl)cc1C(C)=O 2271834569 HGKWIOMOMAZFLI-UHFFFAOYSA-N 280.795 4.976 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)CC(CC)(CC)CC 2272102071 UIWPSXGLMQRKBF-KRWDZBQOSA-N 269.473 4.530 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C1(C)CCCCCC1 2273997691 ZPRRRSUSYITGGX-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C[C@H](C)C(C)(C)C 2274071531 FYMGMTCKKOOYSP-DOTOQJQBSA-N 263.469 4.621 30 10 CJEE CCCN[C@@H](CCCC#CC1CCCC1)C(C)(C)C 2274137623 NMSCHOPRJVDKCK-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCNCC1(CC#CC2CCCC2)CCCCCC1 2274164905 OZWWSJMVKNYRJA-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE CCCCCCCC[C@@H](CC=C(C)C)OCCCN 2276321945 SBIGECJFCXKEEZ-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C2CCC2)CO1 2278124776 NIDNDSSGBMKROA-DLBZAZTESA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@](C)(C#N)NC1CCCC1 2278173851 ONDHYBJDOKRTMN-QGZVFWFLSA-N 264.457 4.942 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NCC)C(C)C 2278245779 WSJCYNUTFJOBIT-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@H]1CCO1)NC 2278583978 PQKGQSBQDKNETM-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc2scnc2c1 2278679289 HQNFEIQSQPNESV-LRDDRELGSA-N 274.433 4.549 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccc3cccc(C)c3n2)C1 2279724471 XZHDAIMHQVUDDL-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE C=C1CC([C@H](C[C@H]2CC(F)(F)C23CCC3)NCCC)C1 2281058058 HSNNUQALMZMETK-GJZGRUSLSA-N 283.406 4.536 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1csc(C2CC2)c1 2283039341 YQLBHPAMKMYODJ-QGZVFWFLSA-N 293.476 4.649 30 10 CJEE CC[C@H]1CCC[C@@](CC=CC#CC(C)(C)C)(C(=O)O)C1 2284094801 HMKFXCUBBGINQM-MAUKXSAKSA-N 276.420 4.653 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cncn1C(F)F 2284778473 KTOXVONHXHDAQK-CYBMUJFWSA-N 287.398 4.679 30 10 CJEE C=CCC[C@@H](C)N(C)CCCCCCCCCCCO 2286779199 HTYFKSQJEPEDET-GOSISDBHSA-N 283.500 4.776 30 10 CJEE C=CCCCCCCCSC[C@@H](O)c1cccc(N)c1 2287095817 DHHYSCDZMSDOMR-QGZVFWFLSA-N 293.476 4.562 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@H]1C[C@H]1C1CCCCCC1 2287373532 WMGXMMIIBCPXLP-BZSNNMDCSA-N 278.484 4.561 30 10 CJEE C=C(C)CCCCOc1ccc2ccccc2c1C=O 2287385197 NDBWWWOZFHOFCX-UHFFFAOYSA-N 268.356 4.778 30 10 CJEE CC(C)(C)c1ccccc1[C@H](N)C#CC1CCCCC1 2289691751 FEABUZQZRBJWTD-GOSISDBHSA-N 269.432 4.568 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCC[C@H]1CC 2290914742 LGYXHTQXGBXINO-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CC[C@H](CC)C1 2292784886 PEQMOHKOKWVPCE-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE 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CJEE C#CC[C@H](C)CC(=O)c1c(Cl)cc(C)cc1Cl 2307640364 OLLNAQRFEZRCER-VIFPVBQESA-N 269.171 4.534 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1CCC1(F)F 2313775510 MHIFIXUYYYCGLZ-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE FC1(F)CC[C@@H]1COCCCCCCCCCS 2313795653 UWMCCTZFGPSPJK-CYBMUJFWSA-N 280.424 4.709 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)cc1CC 2321234464 SNJHAKBMYZGVRV-JKSUJKDBSA-N 266.812 4.928 30 10 CJEE N#CC[C@H]1CCC[C@H](c2cc(F)c(Cl)cc2Cl)O1 2325175351 LUPVEXYSRSLLEW-AMIZOPFISA-N 288.149 4.656 30 10 CJEE CCCCCCC[C@@](C)(SC1CC(C)C1)C(=O)O 2326947000 NAONNSQISVAKKN-SSDMNJCBSA-N 272.454 4.722 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@H]1CC[C@H](C)CC1 2327116522 UPISVJQDKNBJBY-DZKIICNBSA-N 272.498 4.812 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@H]2F 2329128843 YDFYVORPZWEFSL-NXOAAHMSSA-N 269.448 4.983 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 2333961181 ZCHZGEWMESTDDY-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2c(Cl)cccc21 2337151375 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C#CC[C@H](COCCC1CCCCCCC1)C1CC1 2342413212 QBVWQYWPSMYSEV-GOSISDBHSA-N 262.437 4.803 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@](C)(C=O)c1ccccc1 2343372976 ZUPKJJNLFBGFGP-LESCRADOSA-N 258.405 4.606 30 10 CJEE N#Cc1cc(Cl)ccc1O[C@@H]1CCC2(CCCC2)C1 2343548090 YGDDXOLEDNZQBN-CQSZACIVSA-N 275.779 4.703 30 10 CJEE C=CCC(C)(C)[C@H](CCCCCCOC)NCCC 2344336236 HOMPDFNVDHWIML-INIZCTEOSA-N 269.473 4.554 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc2cc(F)ccc2o1 2344468732 QSVUUQDDMHQTKW-CVEARBPZSA-N 262.324 4.598 30 10 CJEE C=C[C@@H](C)C[C@@H](O)CC1CCC(CC(F)(F)F)CC1 2353169494 LGQQGNLMTKYJHC-BLYZHGLHSA-N 278.358 4.708 30 10 CJEE CSc1cc(NC[C@@H]2CCC[C@@H](C)C2)ccc1C#N 2353830779 OMZDEFUFONQNTR-CHWSQXEVSA-N 274.433 4.518 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1C[C@H]2CCC[C@H]1CC2 2353833652 GRVATCWYCQPYHY-QAETUUGQSA-N 284.509 4.812 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2354779763 WOFPMLLNOGODDM-QMHWVQJVSA-N 285.422 4.638 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2357452979 BOKVNEZHJSGPEB-RRFJBIMHSA-N 289.385 4.527 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCCC2(C)C)C1 2360306970 KRMMALNAIZZLQQ-IKGGRYGDSA-N 276.468 4.750 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](SCc2ccco2)C1 37156296 RXNOYKQLOISFSQ-GZBFAFLISA-N 263.406 4.621 30 10 CJEE CCCCCC[C@@H](C#N)Nc1ccccc1Br 37938374 PNKLTJJUJCJUCI-LBPRGKRZSA-N 295.224 4.724 30 10 CJEE CCCOc1ccc(C)cc1C(=O)/C=C/c1ccc(C)cc1 83205154 HJSLJCDEIABENV-ZHACJKMWSA-N 294.394 4.988 30 10 CJEE C[C@@H]1CC(Nc2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1 84463943 AWBXUYBOQBKLFT-VMZNBEPHSA-N 270.420 4.724 30 10 CJEE N#C[C@H](C(=O)C1CCCCCCC1)c1cc(F)cc(F)c1 86580110 BVTACYVGKYLYOB-INIZCTEOSA-N 291.341 4.502 30 10 CJEE C=CCCC[C@H](CSC1CCCCC1)NCCC 87150469 PZMBDDPPIYTPHT-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE CCCCCCCCNc1ccc(-c2c[nH]cn2)cc1 102800625 GWSHUMZJUGMESN-UHFFFAOYSA-N 271.408 4.849 30 10 CJEE CN(Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 110247672 YTHAWIKIDIGXBU-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE Cc1ccc(C#N)c(Nc2ccccc2SC(F)F)c1 110252025 ZUQLEHIVNGFUKD-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@@]1(C)CC 114057411 UCLPUUVTHOHLBY-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@](C)(CC(=O)OCC)N1CCCCC1 114347569 IVOOBNFWZFXSMM-GOSISDBHSA-N 297.483 4.545 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(Cl)c(F)c1 114875032 GSTLNFPHUIFJKE-CQSZACIVSA-N 258.764 4.873 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCOC1 114996033 NXMVHMUOWPNJQI-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCc1n[nH]c(N)c1-c1cccc(C)c1 115858272 FDVBPWWRJOYPBE-UHFFFAOYSA-N 285.435 4.870 30 10 CJEE CCCCCCC[C@@]1(CO)CCCc2ccccc21 116631554 QAIDOFRQBNOFJL-SFHVURJKSA-N 260.421 4.614 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)N(CC)CC 118140921 WQHRCBPUAITFIP-QGZVFWFLSA-N 285.516 4.999 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)N1CCCCC1 118146272 OUNCDVSCDWNNTI-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H](N)C(C)(C)C 125514362 VCQXZRRFDFEPDB-MRXNPFEDSA-N 269.473 4.850 30 10 CJEE CCCCCCCCCCC1(CN)C[C@@H]2C[C@@H]2C1 157341218 URVVKXJDILZXGF-SJPCQFCGSA-N 251.458 4.892 30 10 CJEE CCCCCCCCOc1cc(NCC)cc([N+](=O)[O-])c1 158015713 OFYMXSADFLCNTR-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc2c1OCC2 160127706 FXGYPFIMZQKPJV-QGZVFWFLSA-N 276.420 4.796 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)CC2CCCCCC2)c1 162029615 CANUJKCIKDCYGK-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1C 162634919 GEASCBSAYIEOTN-PXNSSMCTSA-N 279.427 4.947 30 10 CJEE C=CCCC[C@H](NCCC)c1cnc2ccsc2c1 163605281 WPBKAYYFLAVELQ-AWEZNQCLSA-N 274.433 4.693 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CC[C@H](C)c3ccccc32)c1 163863332 DPJROPBVJGNDHH-HNAYVOBHSA-N 276.383 4.723 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC(F)(F)F)c1 164635806 HGOMWHXALFOTOT-CQSZACIVSA-N 289.341 4.946 30 10 CJEE N#CC1([C@H](O)c2cccc(Cl)c2F)CCCCCCC1 167058407 CPRSDUQFZJEUDP-OAHLLOKOSA-N 295.785 4.767 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 217579730 UJELOWRBRQDVSB-MZMPZRCHSA-N 286.394 4.633 30 10 CJEE C#CCCC[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC 229287595 OJQZFEHQEKYWIW-WDSOQIARSA-N 271.448 4.598 30 10 CJEE C=CCCCCCC(=O)c1cccc2ncccc12 232567017 VSRUNEXUCZMHEY-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](O)C(C)C 232914664 VRBNVNRVMJOSON-DLBZAZTESA-N 272.473 4.675 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(F)c1F)c1cccs1 233296793 KZMWKHGGYCUOAB-LLVKDONJSA-N 292.354 4.851 30 10 CJEE C=CCCCCCC[C@@H](CNCC)c1ccccc1 233511987 TXKWKZYCICDAEY-SFHVURJKSA-N 259.437 4.906 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](C#N)Nc1cccc(Cl)c1 235764151 ANHPDPBRZCQPBN-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](CC)CC[C@H]1NCCC 250814134 IJBVUQBIXOTSGB-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)NCC[C@H]1C 250818223 JYFWGMVSZCNNTA-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCC)[C@]1(C)CC 250827531 OKPKQKXPCUEPSM-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 251699130 BDOCWAZCPSKYPJ-IIDMSEBBSA-N 284.447 4.527 30 10 CJEE CC[C@@H]1O[C@H]1C[C@H](C)c1cc(Cl)cc(Cl)c1 251700990 QOYIPYQBWHNSPN-HJIKLVIJSA-N 259.176 4.664 30 10 CJEE CSc1cc([C@@H](CC#N)C2CC2)c(SC)cc1C 260535443 NOOPQDMYSQNLLC-LBPRGKRZSA-N 277.458 4.846 30 10 CJEE CSc1cccc(N2CC[C@H](CC(C)(C)C)C2)c1C#N 307777226 PYAXDHITIIGFKB-CYBMUJFWSA-N 288.460 4.543 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1C 308059356 WCKZKPFVLOWOGV-DOTOQJQBSA-N 271.404 4.634 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C)cc(C#N)c2)CC1 308116333 YXWBFIBDTPHEGD-GDBMZVCRSA-N 256.393 4.638 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(C)c(C)c2)c1 308124388 WJJGKGHCJMHQFY-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CCCCCCCCC[C@H]1CC[C@@H](CNC(C)C)O1 312084296 VPPFOEDPPSQFKV-IRXDYDNUSA-N 269.473 4.673 30 10 CJEE CC(C)C[C@@H](C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 312169727 ZQKNWWHVOUTVQC-CTMQZQKCSA-N 279.468 4.776 30 10 CJEE CCCNC[C@@H]1CCC(C)(C)C[C@H]1CC#CC(C)(C)C 312218458 YRJLWRGHKKUDBF-SJORKVTESA-N 277.496 4.868 30 10 CJEE C=CCCCCCCN[C@H](C)c1c(C)cc(C)nc1C 312401901 HRZYALPRZRHYFN-MRXNPFEDSA-N 274.452 4.794 30 10 CJEE CCC(=O)c1ccccc1Oc1ccc(C#N)cc1Cl 312821286 LGKIPYIJDRPHHR-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE CCC[C@H](Nc1cccc(CC#N)c1)c1ccccc1 313435171 IVJLGDCGIMQPCZ-SFHVURJKSA-N 264.372 4.706 30 10 CJEE CC(C)C[C@H](C)C[C@@]1(C=O)CCCc2ccccc21 317151534 COIWCIKBKKIESQ-MAUKXSAKSA-N 258.405 4.532 30 10 CJEE CCCC1CCC(C=O)(CCOCCC(C)C)CC1 317206377 JBVBREFUJUROLG-UHFFFAOYSA-N 268.441 4.615 30 10 CJEE C=C(C)CC[C@]1(CNC(C)C)CCC[C@@H](CC)C1 318138062 YDWFCDSLFLMKIR-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(C)CCC[C@H](CNC(C)C)O1 382375215 NPCIVNAXVUQMOQ-IAGOWNOFSA-N 269.473 4.673 30 10 CJEE C=C([C@@H](NCCC)c1csc(Cl)c1)C(F)(F)F 383349781 ULJOXGBPAGAHLU-SNVBAGLBSA-N 283.746 4.561 30 10 CJEE CCCCCCCCCC[C@](C)(O)c1ccccn1 395792715 VWJWZONJOBJDJP-KRWDZBQOSA-N 263.425 4.820 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)C(C)(C)C 397493826 NVBDGZVWVIQWCM-TZMCWYRMSA-N 278.827 4.519 30 10 CJEE C=CCSc1ccccc1N[C@H](C)[C@@H]1CC1(C)C 397737627 MEHQAFIBAXNIEU-OLZOCXBDSA-N 261.434 4.811 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1Nc1ccccc1 467932434 WUEQTUSLIWMBNH-HNNXBMFYSA-N 294.398 4.971 30 10 CJEE C#CCCCCC[C@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2 686696256 YIRHQWGWYJIVAB-JENIJYKNSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@]1(CNCCC)CCC[C@@H](C)C1 686708705 NQQYAVGGOZSFEC-MSOLQXFVSA-N 263.469 4.766 30 10 CJEE CCc1ccc(CC)c(N[C@@H]2CCCCC[C@H]2C#N)c1 689530064 WFSNUDPDCRVHFC-DLBZAZTESA-N 270.420 4.696 30 10 CJEE CN(CC1(CS)CCCCC1)[C@H]1CCC12CCCC2 694270988 OSWHAVFZISCULT-HNNXBMFYSA-N 281.509 4.521 30 10 CJEE C=CC[C@@H](NCCC)c1cc2cscc2s1 694425033 KKCZJKQDUPTCDU-LLVKDONJSA-N 251.420 4.580 30 10 CJEE CCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698459369 RYCDRUPPHSRNLU-HNNXBMFYSA-N 288.391 4.510 30 10 CJEE CCCc1ccccc1OC[C@@H](CS)c1ccccc1 699540321 ZLVCGFMXLMNJOW-KRWDZBQOSA-N 286.440 4.732 30 10 CJEE C=CC(C)(C)CCNc1ccc(C(F)(F)F)cc1 701863879 IFNCTUZTYXPRBF-UHFFFAOYSA-N 257.299 4.720 30 10 CJEE CCCCCCC[C@@H](NCC)C12CCC(CC1)C2 710980788 REXVQPURJKZOEX-AQFXKWCLSA-N 251.458 4.905 30 10 CJEE 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CCCCCCCCCCCCOC[C@H](N)[C@@H]1C[C@@H]1C 2239551494 SPEYZEHRABZSRF-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCc1ccc(C#CC(=O)c2cc(C)c(C)s2)cc1 2239657955 LHZXBSYJTAPCOO-UHFFFAOYSA-N 282.408 4.552 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H]1C(C)(C)C 2240564290 BASQMLSTEREXFQ-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H](C)c2ccc(C)cc2)CC1 2240808488 QZLRNDFQVWTAMU-QFBILLFUSA-N 271.448 4.823 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1coc2ccccc12 2241139087 PTFBAFFDKBWBSI-KSSFIOAISA-N 271.404 4.556 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](C)OCc1ccccc1 2241951137 XWNVIPNWOVLLSR-HKUYNNGSSA-N 289.463 4.706 30 10 CJEE CC1CC2(C1)CC(SC[C@H](CS)CC1CC1)C2 2251131718 XKQKJKOMPSXJPB-MUJDFKBOSA-N 270.507 4.644 30 10 CJEE C=C(C)CCCCN(C)[C@@H](C)C[C@@H](C)C(F)(F)F 2259174159 XDQLFSUHDGKAJE-OLZOCXBDSA-N 265.363 4.642 30 10 CJEE C=C(C)CCCC[C@H](O)CSc1ccc(Cl)cc1 2259234472 CJJDNITZDJJCKG-AWEZNQCLSA-N 284.852 4.930 30 10 CJEE C=CC1(CNc2ncc(C)cc2Cl)CCCCC1 2259292879 IDNDKDBBVMRJTF-UHFFFAOYSA-N 264.800 4.592 30 10 CJEE CCCCCCC[C@@](CC)(OCCCN)C(C)C 2263027130 DHOBAXAYFXDBFZ-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE C[C@@H](CCC(F)(F)F)N(C)CCCCCCCS 2263205719 AYESGOMUKPPADU-LBPRGKRZSA-N 285.419 4.530 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC[C@H]2CCC[C@@H](C)C2)C1 2265060475 MAMGJQNZVSPISO-VQHPVUNQSA-N 263.425 4.692 30 10 CJEE CCCCCCCCCOc1ccc(CO)c(C)c1 2267692065 LHXVOLBTRUYJTN-UHFFFAOYSA-N 264.409 4.617 30 10 CJEE N#C[C@@]1(CC2CC3(CC(F)C3)C2)CCCCC12CC2 2272213686 CVMZVSZKEUKRSM-FKFDDHQTSA-N 261.384 4.769 30 10 CJEE CC(C)CCC[C@H](C)CCNCC1(C#N)CCCC1 2272246413 BLGQLOWHBIIGNB-INIZCTEOSA-N 264.457 4.512 30 10 CJEE CN[C@@H](C#CC1CCCC1)c1cc2sc(C)cc2s1 2273996792 VYSSSVRKKPIWMQ-ZDUSSCGKSA-N 289.469 4.725 30 10 CJEE CCCCCCCC[C@](CC)(OCCCN)C1CC1 2276606061 RAPWCYFAFPULPN-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](COC)C1CC1 2278241666 FEXHLORCBQIMNO-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1(C)CC(C)C1)NC 2279456865 ICEPKYXWIRDTTH-UMQBVGHOSA-N 283.500 4.512 30 10 CJEE CN[C@@H](CCC=CC#CC(C)(C)C)c1ccccc1Cl 2284074236 ZOUHGRAFBLBZQW-KRWDZBQOSA-N 289.850 4.986 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1cc(C)co1 2284102189 BVVULNYJIZWEIK-INIZCTEOSA-N 273.420 4.625 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@]1(C)COC 2284721715 IOCCNDQSPGPTSJ-QZTJIDSGSA-N 283.500 4.635 30 10 CJEE O=C[C@]1(C[C@H]2CCC[C@@H]2C(F)F)CCCCC12CCC2 2285545877 LFWXXRJRMVUWCT-JKIFEVAISA-N 284.390 4.988 30 10 CJEE C#C[C@H](c1ccc(C2CCC2)cc1)N1CCCCCC1 2285987755 NTKSGVRYRBDYMT-LJQANCHMSA-N 267.416 4.504 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(c2ccccc2)CCC1 2287467124 LDRXQPUHGSTZSY-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CC(C)CCC[C@H](C)CCNc1cc(F)cc(C#N)c1 2287916655 NZXMBQIZTPDFDL-AWEZNQCLSA-N 276.399 4.962 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(CC2CC2)c1 2289465294 VELKLMCSIBTQQN-BEFAXECRSA-N 271.448 4.892 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cccc(Cl)c1F 2289697549 IKWSXXVYBVOUSC-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1sccc1CC 2289852523 QIKCTYGJXCPIKB-KRWDZBQOSA-N 289.488 4.935 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C1(C2CCC2)CC1 2289898418 DNUZNDPVEMHTPX-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C#N)CCCOC2(C)C)C1 2290110246 OYICAYDFMQZAME-JTTJXQCZSA-N 277.452 4.938 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(C(C)(C)C)c1)NCC 2290293284 OCSMGOVZQBRENM-SFHVURJKSA-N 273.464 4.861 30 10 CJEE CCCCCCCC[C@@](CC)(OCCC(=O)O)C(F)F 2290637422 HQOYOYUPLNIEEM-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=CCCCCC1(OCCC(=O)O)CCCCCCC1 2292404108 YNNUUAMKUUTDLP-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@](CC)(OCCCN)C(F)F 2292647977 TYIKTBOSQQNKGY-INIZCTEOSA-N 291.426 4.682 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cncc(Cl)c1 2292739960 LRCGSEYOLZZIMP-INIZCTEOSA-N 298.858 4.502 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CC[C@H](C(C)C)C1 2292798325 FGAHRJFYWORFMR-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C(C)C 2293721722 OZAGXUWSPPDAMX-BZSNNMDCSA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCC1(C)C 2293872692 GAEUQTPTXSTKKU-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H]2C[C@H]1C2(C)C 2294341805 FYJRFNOLBWCPSE-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE CC1(C)CC(C)(C)CC(O)(C#Cc2ccccc2Cl)C1 2295238534 ZVOMXFJSTPRQLE-UHFFFAOYSA-N 290.834 4.659 30 10 CJEE CCCCCCSCC1CCC(C#N)(NC(C)C)CC1 2295695405 ZJPWJMOUKOYNLL-UHFFFAOYSA-N 296.524 4.750 30 10 CJEE CCCCCCS[C@@H]1CC[C@H](C)[C@@](C#N)(NC(C)C)C1 2295761969 SESVFJIGWLYNNM-GVDBMIGSSA-N 296.524 4.749 30 10 CJEE CCCCCCSC[C@@H]1CCC[C@](C#N)(NC(C)C)C1 2295762231 VJGMUGPIPNYRRC-SJORKVTESA-N 296.524 4.750 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc2sccc2s1 2301058210 QRRRXROPNFFCFF-AWEZNQCLSA-N 263.431 4.731 30 10 CJEE C=CC[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2304921165 UCIWEJZAYGUWEL-ZDUSSCGKSA-N 296.252 4.519 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@]12CC[C@@H]1C2 2308555529 MSBIBNNPDPTAQY-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCCCCCC[C@H](NC)[C@](C)(CC)C(F)F 2315009189 SMRBWTNABCKFGF-ZFWWWQNUSA-N 261.400 4.782 30 10 CJEE C=C1CC(C#N)(CCCCC(F)(F)C(F)(F)F)C1 2319582373 FEESHJQBAXYWKQ-UHFFFAOYSA-N 267.241 4.604 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cscc1C(F)(F)F 2321107903 KNKYQTKERANXDD-NSHDSACASA-N 277.355 4.630 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(SC)c1 2321118123 RFJJHWPAFJNBIA-HOTGVXAUSA-N 263.450 4.661 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)C(C)(C)CC 2327019064 SABMHPADHKGUPB-OAHLLOKOSA-N 270.438 4.520 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1C[C@H](F)C1 2327351414 UQFHGGVDDGKTJA-WKILWMFISA-N 257.437 4.807 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c(C)c1 2337112133 CFYIBICBXCIVAD-LZLYRXPVSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338687957 DTPVCECKVHVYIF-ONIAQPFYSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)Sc1cccc(CNCCC)c1 2338737474 DNQLTOCVODSWLF-UHFFFAOYSA-N 275.461 4.799 30 10 CJEE C=CCCCCCCNC[C@@H]1[C@H]2CCCCCC[C@H]21 2340824916 QECMAEGCCCTHFF-PIIMJCKOSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCCCOC[C@@H](NC)C(C)C 2341356075 FOOJFLZVEUQAIX-QGZVFWFLSA-N 269.473 4.554 30 10 CJEE CCCCCCC[C@](C)(O)c1csc(C(C)(C)F)n1 2341984809 NBPYRAUKYUAXJB-HNNXBMFYSA-N 287.444 4.916 30 10 CJEE C=CCCC[C@@H](NCCC)c1csc(C(C)(C)F)n1 2342051099 JXFCQDMEADEMTI-GFCCVEGCSA-N 284.444 4.745 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cccc(C(F)(F)F)c1C 2344465697 DIRFKTUCZKCOTG-ZDUSSCGKSA-N 272.310 4.650 30 10 CJEE CCCCCCCCN(C)C[C@H]1C[C@@H](C(F)(F)F)C1 2352906671 AGZWDFJTHIFYJD-OKILXGFUSA-N 279.390 4.867 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@]12C[C@@H](OC)[C@@H]1C2 2354281277 RKNRDWGXAZWKRV-MHORFTMASA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SCCC[C@](C#N)(CC)NCCC 2360334026 PPOYYYGKQLDLFN-KRWDZBQOSA-N 294.508 4.693 30 10 CJEE C=CCC(CC=C)SCCOc1ccccc1C(C)=O 2360379233 UKBGCZLGHYDXJB-UHFFFAOYSA-N 290.428 4.522 30 10 CJEE CC1=C/C(=N/OC(=O)c2ccccc2Cl)CC(C)(C)C1 33306296 KXOHBJDREHFHCZ-PDGQHHTCSA-N 291.778 4.619 30 10 CJEE CC(C)CC[C@](C)(C#N)Nc1ccccc1Br 37938535 FTYICMKWEYXXFN-CQSZACIVSA-N 295.224 4.579 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1nc2ccccc2s1 50429279 YWDOVCMRWUVTMG-LBPRGKRZSA-N 293.395 4.650 30 10 CJEE CCCCCCCCCN(CC)Cc1ccccc1N 59267365 CSWHYOAGTYSCFA-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(OCCCC#N)c2)C1 68625345 VNVBWPHTVYUGRL-IIDMSEBBSA-N 286.419 4.606 30 10 CJEE N#Cc1cccc(Nc2cccc(Cl)c2Cl)c1 82714993 PBWRTDOCWNZRMQ-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE Cc1ccsc1-c1nc2cc(C#N)ccc2n1C(C)C 86636334 SAXHBQYTGUCTCM-UHFFFAOYSA-N 281.384 4.526 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@@H](C(C)C)CC2)c1 86921940 DEPDRYOLSSWIOW-SJORKVTESA-N 255.405 4.685 30 10 CJEE CCCC1CCC(C#N)(CCOCCC(C)C)CC1 87959540 YJFMDCPOWROMMO-UHFFFAOYSA-N 265.441 4.939 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91887511 YMBGSAJSSSGQOP-RHDJWLFDSA-N 291.479 4.920 30 10 CJEE SCC1(CN2CCC[C@@H]3CCCC[C@@H]32)CCCCCC1 94579229 MRVDSLALKXAELV-IRXDYDNUSA-N 295.536 4.911 30 10 CJEE C=C(CC)C[C@@H](CSc1cccc(F)c1)NCCC 97323496 DTUJCJUWUWYEPP-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE CCCCCCCn1cc(CNCC)c2cc(F)ccc21 107020055 UFPOZXQYSKHASQ-UHFFFAOYSA-N 290.426 4.860 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](CN)C1 109687850 HVNNODWVAFVKFE-SFHVURJKSA-N 282.516 4.578 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccc(CC)cc1 110083913 VRGMQUKFBCPNLB-LJQANCHMSA-N 291.479 4.887 30 10 CJEE CCN(c1cccc(F)c1)c1cccc(Cl)c1C#N 110257190 WZQYSONBMNFVJP-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE C=CC1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1 111705300 CQPQYIBNTAUPAA-UHFFFAOYSA-N 286.419 4.548 30 10 CJEE CCCCCCCSc1ccc([C@@H](C)O)cc1 113367653 BDIZASRLBHEISY-CYBMUJFWSA-N 252.423 4.802 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CCOC 113434064 YSQQUFKINRRGFP-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CCOC1 114996038 NXMVHMUOWPNJQI-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(OC)cc1F 115064699 QHXXBAKWHKWEBR-MRXNPFEDSA-N 268.372 4.618 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1C(C)(C)C 115233172 QFYNCNHXPLACMR-IAGOWNOFSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@@H]1CCC 115240117 KEOQAVSQMZXBPD-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCC)C12CCCCC2 117340059 JGDYXPSJIFLQGY-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@H](O)C1(N(C)C)CCCCCC1 118186346 XXEPUMHJWRNDOW-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)cc1C 122206110 KLJZHOBTNRDXOM-GOSISDBHSA-N 276.468 4.949 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc2ccc(F)cc2s1 124699453 MJGXNSITDAQANB-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CSCCS1 125129168 JLYSXGDZBLEPJU-AWEZNQCLSA-N 274.495 4.545 30 10 CJEE CCCCCCCCCn1ccc(C(=O)C(F)(F)F)c1 128832228 WECJIIBLQHQRAA-UHFFFAOYSA-N 289.341 4.984 30 10 CJEE C=C(CC)C[C@H](NCC)c1sccc1Br 131597444 TXRHIQIWIGNGIW-NSHDSACASA-N 288.254 4.518 30 10 CJEE N#Cc1c(F)cccc1-c1cc(Cl)ccc1Cl 132281813 VLTISHYODMBIIK-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CCCCCCC#CCC#CCCCCCCC(=O)OC 139224832 PTNIMRRTTQLUQW-UHFFFAOYSA-N 290.447 4.867 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CSc2ccccc21 139548227 XEHIBTSGRYTARQ-JKSUJKDBSA-N 277.477 4.824 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1ccnn1C 143475480 WVNJSWAACNKZGG-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CCCCCCCCC[C@H](O)c1cncc(OCC)c1 157048393 BDRWIAXUDCYFBK-KRWDZBQOSA-N 279.424 4.654 30 10 CJEE C[C@@H](CCS)CCSCc1ccc(Cl)cc1 159184613 MTENINAWRRWIFW-NSHDSACASA-N 274.882 4.919 30 10 CJEE CSc1cccc(NCc2ccc(C#N)cc2Cl)c1 162571764 JHRKXCZLNBWLGA-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCCC[C@H](CC)COc1cc(C)ccc1/C(C)=N\O 215505942 GIEWQDMULHGBPI-LSVCFVEQSA-N 277.408 4.788 30 10 CJEE CCOc1ccc(/C=C\C(=O)c2ccc(C)c(C)c2)cc1 216698788 YSVBMYFEQISMLI-WQLSENKSSA-N 280.367 4.598 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227069338 FIIXDDQOBQFOHH-PVUWLOKVSA-N 291.460 4.799 30 10 CJEE Cc1cc([C@@H](C)Nc2cc(F)cc(C#N)c2)c(C)s1 227611330 DMYOMBKJOXKVQK-SNVBAGLBSA-N 274.364 4.549 30 10 CJEE CCCCCCC[C@H](N)[C@]1(OCC)CCC[C@@H](C)C1 227744070 LLNQOJSOGQPFPY-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1ccc(C)cc1 232972579 OPZRWIIYTQFDKF-SFHVURJKSA-N 277.452 4.909 30 10 CJEE CC#CC[C@H](NCCC)c1cc(Cl)sc1Cl 233100547 WMGAONLLAQTIFX-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C=CCNc1cc(Nc2c(C)cccc2C(C)C)nc(C)n1 242691747 CXDBEONLQPKIIN-UHFFFAOYSA-N 296.418 4.558 30 10 CJEE CCCCCCC[C@H](C)N(CCC)C1C[C@@H]2CC[C@H](C1)N2 250833504 SNJFLMBMRDLSBM-HTUJPFKRSA-N 294.527 4.730 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1NCCC 250834372 SYCWCIVWAYVCJV-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 251257416 XIVWQJLDDZFISW-HZSPNIEDSA-N 252.398 4.506 30 10 CJEE N#CCc1sccc1-c1cc(Cl)cc(Cl)c1 309460531 QSJZBMSEPWACKZ-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)cc1F 310815105 WFMHXHYMAYTZJE-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE CCCCCCC[C@H](NN)c1ccccc1C(C)C 311792484 YNFYNRWNDRXCLE-KRWDZBQOSA-N 262.441 4.675 30 10 CJEE C=CCCCNCc1c(CCCC)oc2ccccc12 312622007 REFUAICQAIDFJX-UHFFFAOYSA-N 271.404 4.831 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2Cl)C1 316816888 QLGNZAIJCADKEV-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2c(Cl)cccc2Cl)C1 317383826 XLRLKURMIGMIRV-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE C#CCCC[C@]1(CNCC(C)C)CCC[C@H](CC)C1 318140554 CVPPAYUBVJZKCC-ROUUACIJSA-N 263.469 4.622 30 10 CJEE C[C@H](CC1(C#N)Cc2ccccc2C1)C1CCCCC1 380354679 ZHXMYSBPZCZRHC-OAHLLOKOSA-N 267.416 4.902 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2cc(C)nc3ccccc23)C1 380597452 MSAYOJQNEBYONL-KSSFIOAISA-N 264.372 4.515 30 10 CJEE CC(C)CC[C@](C#N)(Nc1ccc(Cl)cc1)C1CC1 381828010 PCLOXBSLKVRCOB-MRXNPFEDSA-N 276.811 4.860 30 10 CJEE CCCC1(/N=C2/N[C@]3(CCC[C@@H](C)C3)CS2)CCCC1 382353604 RAVIQYWXJMVQSR-PBHICJAKSA-N 294.508 4.741 30 10 CJEE C=C(C)CCN[C@@H](C)c1oc2ccccc2c1CC 386824027 GREBXGWFDWLUEG-ZDUSSCGKSA-N 257.377 4.612 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CCC[C@H](C)C1 386972603 LVEXTPBZUFVUCW-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2coc(Br)c2)C1 393535570 QQOZMHWISXQNQE-SMDDNHRTSA-N 296.208 4.695 30 10 CJEE C=CCCC[C@@H](C)NC1CC(c2cccc(C)c2)C1 398198618 VCYKAICXXAKKED-FAEJEUNOSA-N 257.421 4.575 30 10 CJEE C[C@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 399157457 JLRBSKUIKDENIP-BXKDBHETSA-N 298.213 4.852 30 10 CJEE C=C[C@@H](C)ON[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 400946480 VUODQPPIMBULIK-SFYZADRCSA-N 294.609 4.804 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1ccc2ncsc2c1 485713662 QOSBILBWIUCPTL-GXTWGEPZSA-N 274.433 4.692 30 10 CJEE C=C(C)C[C@H](C)c1nc([C@H](C)c2c(F)cccc2F)no1 558335261 MPRHMQPDTJBSLW-WDEREUQCSA-N 292.329 4.569 30 10 CJEE CC[C@H]1CCCCC[C@]1(O)C1(C#N)CCCCCC1 691097797 BUPOMONRQUHRBN-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CCCC[C@@H]1N 695531593 ODEJDDYZKYPCGZ-FUHWJXTLSA-N 281.484 4.994 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)C[C@H](C#N)C2CCCCC2)CC1 697862482 MSFFDUQMJZDWIE-BPQIPLTHSA-N 276.468 4.607 30 10 CJEE C=CC(C)(C)CCn1c(=S)[nH]c2cc(C)c(OC)cc21 701875748 AHPMUXZJQFBNTF-UHFFFAOYSA-N 290.432 4.618 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cncc(F)c1 704841790 FZLZCJIAGNUFPZ-INIZCTEOSA-N 266.404 4.535 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CCCC2(CC2)C1 710143019 VWNPWHRTPPXRHM-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 710479457 QINCOJSWIJEJRX-YYUOFMGYSA-N 281.871 4.714 30 10 CJEE C1CCCC2(CC1)CS/C(=N/CCCC1CCCC1)N2 713213007 DVGILRRNJPZAKJ-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)cc1Cl 715704306 JAAAHJOHQDYPNZ-SWLSCSKDSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)cc1Cl 715767918 FYLJYVIGAJEANB-CJNGLKHVSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccccc1SC 715768704 KIJGJQDJBOCTAH-BBRMVZONSA-N 263.450 4.661 30 10 CJEE C=CC[C@@H](C)C1(CNC)CC(C)(C)CC(C)(C)C1 715790574 UMPPAGVPCSWCGN-CQSZACIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC(C)(C)CO1)NCC 717020422 AMUMUMUTCQSHNM-SJORKVTESA-N 283.500 4.920 30 10 CJEE CC1(C)CCCCC[C@@]1(O)C1(C#N)CCCCCC1 719375532 ZLJMKULNPNLZBQ-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE Cc1ccc([C@H](C#N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1C 719376645 KCSXEJYGCWWVLR-DECQCQTCSA-N 255.405 4.983 30 10 CJEE C=CCC(C)(C)CN[C@@H](CC)CC1CCCCC1 720971558 WVROCBFGMAMTHD-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)C2CCC(C)(C)CC2)CC1 724589792 SHFGZWZTGZTHBW-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H]2CCCc3ccccc3[C@@H]2O)CC1 724594780 ISTGDLLRJOCAGR-PKOBYXMFSA-N 270.416 4.809 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@H](C)O[C@H](C)C2)C1 724879793 JTIZPDVZLLHVJY-BPKGMFCQSA-N 263.425 4.690 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc(Cl)cs1 800153798 AMKPRGRYEBJBMB-UHFFFAOYSA-N 291.803 4.772 30 10 CJEE C/C(=C\C(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 817320167 ZBPZBVGPPQTRNW-ZWKQNVPVSA-N 298.430 4.530 30 10 CJEE C=C(CC(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 1158161505 OWKQLMYHEDLXAU-RBUKOAKNSA-N 299.458 4.679 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1Cc1ccc(C)cc1 1167386401 FIMMNXUXIWVVDW-HXUWFJFHSA-N 283.459 4.586 30 10 CJEE C=C(C)CCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 1181879399 GZJFKUQZGHENSV-HOTGVXAUSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C 1206637022 UOMVPFJTXRFKFE-YYIAUSFCSA-N 293.495 4.693 30 10 CJEE C=CC1(CC(=O)N(C)c2ccc(C)c(C)c2)CCCCC1 1264853365 BYBUHYQGVMQWBN-UHFFFAOYSA-N 285.431 4.793 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1269350617 JNLUDRWBQYTUKW-PMPSAXMXSA-N 279.468 4.700 30 10 CJEE C=CCN(C(=O)/C=C(/C)c1ccccc1C)c1ccccc1 1298806760 WTDNGEYPXMYJKZ-ICFOKQHNSA-N 291.394 4.618 30 10 CJEE C=C1CCC(C(=O)N[C@H](CCC)CCc2ccccc2)CC1 1354233666 GJMLTVRVWVEBSB-LJQANCHMSA-N 299.458 4.651 30 10 CJEE C#CCCCCCCSc1nc2ccccc2n1CC=C 1472916502 IGEWFKWDOPBXJN-UHFFFAOYSA-N 298.455 4.898 30 10 CJEE C=CCCC[C@@H](NCc1cc(C)co1)c1ccccc1 1474249078 XGULVTJRAIESNC-GOSISDBHSA-N 269.388 4.775 30 10 CJEE C=CCC[C@@H](CCC)Nc1cncc2c1CCCC2 1474623702 YYLPCIXYENEQMD-OAHLLOKOSA-N 258.409 4.507 30 10 CJEE C=C1CCC(C(=O)N(CC)C[C@@H](CC)c2ccccc2)CC1 1517634422 MVRUUFGESTYNHQ-QGZVFWFLSA-N 299.458 4.775 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(Cl)s1 1527024800 PHAMFLWQKGNDEQ-TVQRCGJNSA-N 272.797 4.608 30 10 CJEE C#CCCCCCCSc1ccc(F)c(F)c1 1559351730 LAAMXRRSEZSLJN-UHFFFAOYSA-N 254.345 4.641 30 10 CJEE C=CCCC[C@@H](NC1CC(CF)(CF)C1)c1ccccc1 1560986532 FXKWPTBRISTEOZ-QGZVFWFLSA-N 293.401 4.761 30 10 CJEE C=C(C)c1cccc(NC(=O)c2sccc2C(F)F)c1 1585978003 SNLXEBZJXBJZCR-UHFFFAOYSA-N 293.338 4.971 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1587199018 XRNOEOBEPOYZCW-UHFFFAOYSA-N 291.394 4.799 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H](C)C1CCCCC1 1587776855 UVGWUFPCERJKSN-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1597140963 ZIHUVHOOLAFLCO-KBAYOESNSA-N 299.458 4.677 30 10 CJEE C=CCCC[C@@H](Nc1nc(CC)ns1)c1ccccc1 1612827387 LVPXOOWNAFASEB-CQSZACIVSA-N 287.432 4.610 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 1618527570 CJBXVLYYGOOSAE-IRXDYDNUSA-N 283.415 4.897 30 10 CJEE C#CCC1(NC(=O)c2ccc([C@@H](C)CC)cc2)CCCCC1 1626675939 KLYMJIQMRRDAGI-INIZCTEOSA-N 297.442 4.656 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C=C)c2ccccc2)CCCC1 1629246554 AHBIJYHUOGBBNJ-GOSISDBHSA-N 297.442 4.599 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Br)c(C)cc1C 1652245502 ZLHBVIATJHJLKD-GFCCVEGCSA-N 282.225 4.833 30 10 CJEE C=CCCCCN(CCC)[C@@H]1CCc2ccccc21 1652357316 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CCCCCCCCCCCC[C@@H]1CCOC[C@@H]1NC 2164556752 VEKJSGGPKXEEPX-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@](C)(O)CCCC(F)(F)F)C1 2168549508 XMQBYDLTFLPDBR-ZIAGYGMSSA-N 291.357 4.580 30 10 CJEE O[C@@H](CC#CC1CCCCC1)[C@H]1CCCCC(F)(F)C1 2168916661 CEDMZDVJUGVPFW-HOTGVXAUSA-N 284.390 4.537 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC2(CC2)C1)NN 2169052894 SGCCKMPVGFFCGU-DLBZAZTESA-N 280.500 4.929 30 10 CJEE O=CC1(Cc2csc(C3CCCCC3)n2)CCCCC1 2169855534 GMDUYMJOEGLYDY-UHFFFAOYSA-N 291.460 4.883 30 10 CJEE CCCC(C=O)(CCC)CN(C)Cc1csc(C)c1C 2172253283 ZVFOGJJVRDDCNH-UHFFFAOYSA-N 295.492 4.582 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@]1(O)CCCCC12CCC2 2173631302 BTNSFCXMPJCUGP-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE CC1(C)CCCC[C@]1(CC#CC1CCCCC1)C(=O)O 2173656331 SEJDBYBRCXIKAM-SFHVURJKSA-N 276.420 4.631 30 10 CJEE CN(CC1(C#N)CCCCC1)[C@@H]1CCCCC12CCC2 2173724913 UPLOADFVQJVFEI-MRXNPFEDSA-N 274.452 4.505 30 10 CJEE C#CC(C)(C)CC1(CNC(C)(C)C)CCC2(CC2)CC1 2176566072 TXGFHYGXLNPUHQ-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE C=CCCCC[C@@H](NCC)c1cccc(OC(F)F)c1 2179677920 GNVDRCZWYGKJTH-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2CCCC(F)(F)CC2)C1 2182167060 ANEIIDNPRJVAAN-CVEARBPZSA-N 285.422 4.927 30 10 CJEE CCCCCCCCCC[C@@H]1CC[C@H](COC)[C@@H](O)C1 2183589376 BROVTERYGKZEHS-KURKYZTESA-N 284.484 4.941 30 10 CJEE CC[C@](C#N)(C(C)C)C(O)(C1CCCC1)C1CCCC1 2185813013 SPUYAUCUQLFIES-KRWDZBQOSA-N 277.452 4.674 30 10 CJEE CC1(C)CC[C@](C)(N=C2NC3(CCCCC3)CCS2)C1 2193335372 UDPFGBAIXXFZPF-INIZCTEOSA-N 294.508 4.741 30 10 CJEE C=C1CCC(CN2CCCC[C@@H]2c2ncc(C)s2)CC1 2195958207 FKICHYNDPDOTGA-MRXNPFEDSA-N 290.476 4.725 30 10 CJEE CCCCCCCCN(C)[C@H](C)CCCNCC(C)C 2196700222 GWIWBNFFHFIQOF-GOSISDBHSA-N 284.532 4.693 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1c(C)cc(C)cc1C 2196850666 WMAGQAVFRWTNMQ-RDTXWAMCSA-N 271.448 4.702 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C1CCC(C(C)C)CC1 2196855295 CETACMBGZWKKGE-UGXKVIGPSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCN(CC(C)C)C1CCOCC1 2197215571 LEQGHJVAKPUTRC-UHFFFAOYSA-N 283.500 4.874 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncc(C)cc1F 2199285460 IAVVBUOANAGAEX-INIZCTEOSA-N 280.431 4.930 30 10 CJEE Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1C#N 2199340132 QXGMWJHLYCHIOX-IRXDYDNUSA-N 270.420 4.884 30 10 CJEE CO[C@@H]1C[C@@](C#N)(C[C@@H]2CCCC(C)(C)C2)C12CCC2 2203202830 KBHICSKPVRYSBF-BFYDXBDKSA-N 275.436 4.692 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@H]1CCCC(F)(F)C1 2203792734 RSHHWOGKPPHXPN-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)C1CCC(C)(C)CC1 2206893903 FEQRIBUHVOZRAP-QGZVFWFLSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCN1CCC[C@H](c2ncc(C)s2)C1 2206899405 XOOCJDOMCIHRJJ-INIZCTEOSA-N 292.492 4.767 30 10 CJEE C=CCCCCCCC(=O)c1ccc(OC(F)F)cc1 2206900463 UAHZPZMMYIYZRO-UHFFFAOYSA-N 282.330 4.997 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@]1(C)CCCOC1 2206903119 PFDHFPXEUUXERT-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCC[C@H](N)c1ccccc1OCCF 2206903993 XBZLRZVMWHYZEW-INIZCTEOSA-N 279.399 4.561 30 10 CJEE C=CCCCCCCCCN(C)CC1(OC)CCCC1 2207371766 AVGRWDACPGNQKY-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCN[C@@H](CC)[C@H]1CCCOC1 2207414335 OATSLLLNJXHNEI-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCCC(=O)Cc1ccccn1 2207429754 MSSUGVBOWPXDJW-UHFFFAOYSA-N 273.420 4.890 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccnn1CCC 2207433674 CEGZFQXRZLZUBB-INIZCTEOSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1CCC[C@H](OC)C1 2207438081 RXLGAXVQXNRHIR-SQNIBIBYSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)c1coc(C)c1 2207440056 CLEJJTUXRWARBF-QGZVFWFLSA-N 278.440 4.789 30 10 CJEE CC(C)(C)C#C[C@@H](N)c1cc(-c2cccs2)cs1 2218425407 AHKWXACGHSWIKG-GFCCVEGCSA-N 275.442 4.526 30 10 CJEE C=CCC1(Nc2nc(C(C)(F)F)cs2)CCCC1 2219278150 IJXJNYZNCRPTBN-UHFFFAOYSA-N 272.364 4.556 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC2CCC1CC2 2220092689 NDTJTKFWTMJGSZ-OFLPRAFFSA-N 250.426 4.844 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccc(F)c(Cl)c1)NCC 2225124578 JRYZAVAGZXSEBZ-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 2226321849 LAMKANHIIYXEIR-BRWVUGGUSA-N 263.469 4.619 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1CCCC(C)(C)O1 2227267001 BHZMPXIKLAMWNH-HZPDHXFCSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCc2occc21 2227272064 BWQYSUWBVSQKSY-QGZVFWFLSA-N 262.393 4.720 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1CF 2227275305 MCJCGIMEXCHZOC-ZACQAIPSSA-N 269.448 4.877 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C 2227275512 XYRCUWVNZWJSCM-BDXSIMOUSA-N 263.469 4.785 30 10 CJEE C=CCCCCCCC[C@](N)(CC)c1ccccn1 2227275925 ZJMAUGBEOHYAFV-QGZVFWFLSA-N 260.425 4.562 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(C)ccc1N 2227278911 FCRKMHRSEXZITO-KRWDZBQOSA-N 261.409 4.527 30 10 CJEE CCC[C@@H](CS)COCc1ccccc1C(F)(F)F 2227765821 VOBIQPFQRJSQRA-LLVKDONJSA-N 292.366 4.568 30 10 CJEE CC#CCC[C@H](NCCC)[C@H]1CC[C@H](CCC)CC1 2229871218 CANKTSVGYDSXHH-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@H]2CCOC2)s1 2231839253 OHULFNHYMKOASM-KBPBESRZSA-N 282.449 4.646 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(F)c(Cl)c1 2233366641 QPWDHSQQNCULAH-CYBMUJFWSA-N 295.785 4.872 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1nccc(C#N)c1Cl 2234438916 ULGKLOCPNCXHBX-MRXNPFEDSA-N 294.826 4.980 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)CCC=C(C)C 2235541017 CYLSJOVNIKCFMJ-GOSISDBHSA-N 280.452 4.970 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(O)[C@]2(C#N)CCCC2(C)C)c1 2237905277 PSVHOHIRUGNERT-SJORKVTESA-N 291.822 4.576 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](N)(CC#CC2CCCCC2)C1 2238149760 HFOVDXILSUFJTE-HKUYNNGSSA-N 275.480 4.894 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H](NCC)[C@H]1CC 2239461748 GPYXWKSUAOAGNY-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC(C)(C)[C@H]1NC 2239491675 CRIJVXQVTYFQID-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCCCN(C)c1ccc(CN[C@H](C)CC)c(Cl)c1 2240064204 QJPCADBZIIAIDT-CQSZACIVSA-N 294.870 4.631 30 10 CJEE C=CCC[C@@H](C)Oc1cccc(Cl)c1CN[C@H](C)CC 2240198158 LGOBKSWQSWAYPX-ZIAGYGMSSA-N 295.854 4.962 30 10 CJEE C=C1CC(COc2ccc(Cl)cc2CN[C@@H](C)CC)C1 2240199789 AHPUUHRTNINYQW-ZDUSSCGKSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCC[C@H](C)CC1 2240555875 KTAXHKZPOXIJEU-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)Cc1cccc(OC)c1 2240621437 HXYCGXPSTGIUMP-GOSISDBHSA-N 278.436 4.739 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CC1(C)CC1)NCC 2240667036 SANMGMWYQVQGCF-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=CCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2243865150 WPBUBKVMUGLKCI-CYBMUJFWSA-N 258.192 4.529 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@@H]1N 2250059041 DDCVHOOXNSGDJH-LSDHHAIUSA-N 255.471 4.516 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1ccc(Cl)cc1Cl 2251017339 XVTRHDBNQTZXDS-MNOVXSKESA-N 272.219 4.856 30 10 CJEE Cc1cccc(C)c1OCCCCCCCS 2252622965 MNUBOPPVGNROGE-UHFFFAOYSA-N 252.423 4.563 30 10 CJEE C=CCCC[C@H](CC[C@H]1CCC[C@H](C)C1)NCC 2253933720 DQRFQNIEEAMSSO-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE CCCC[C@](C#N)(CC)C[C@H](CC(C)(C)C)OC 2259128094 LAVMFGPKBXYLDO-GOEBONIOSA-N 253.430 4.938 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cccs1)NCCC 2259238220 ROBOKQBTFSWSIG-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CSC[C@H]1C 2263718282 PKILGUPJWSWKAK-OWCLPIDISA-N 271.514 4.857 30 10 CJEE CCCC[C@@H](CC)CSc1c(C)ccnc1C#N 2263778959 BQXSQUXNLDQTIT-CYBMUJFWSA-N 262.422 4.570 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264924939 SSUYGUCGHAGNAB-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=CC[C@H]1CCCCN1CC[C@H]1CCCCC12CC2 2264929678 QZXXIBCXTPLHNU-SJORKVTESA-N 261.453 4.778 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2264991171 NFIOLTLUEFEBIV-FQUUOJAGSA-N 277.374 4.545 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1csc(C)c1 2268740130 WRHDIHRVDBNEER-INIZCTEOSA-N 275.461 4.703 30 10 CJEE C=CCCCSc1c(F)cccc1[C@@H](C)NCCC 2271588650 BMFFPXWSBSZYCT-CYBMUJFWSA-N 281.440 4.945 30 10 CJEE C=C(C)CCCC[C@H](N)C1(C(F)(F)F)CCCCC1 2271781759 RGVDHGPOVSXUHT-ZDUSSCGKSA-N 277.374 4.963 30 10 CJEE CCCCCCCCN(C)C[C@](C=O)(CC)CCC 2272102386 VOXUFWAHUVNEQG-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE C=CCCCCCC[C@@H](NC)C1CC2(CC(F)C2)C1 2272237551 AKXYPZDLJAYFCB-ONNPGMOUSA-N 267.432 4.629 30 10 CJEE CCCCCCC[C@@](C)(O)c1csc(C(C)(F)F)n1 2273667811 ZMJMQNRULBREJG-CYBMUJFWSA-N 291.407 4.823 30 10 CJEE O=C(C#CC1CCCCC1)c1cccc2ccsc12 2274037057 ADHVOWRQERMVJM-UHFFFAOYSA-N 268.381 4.668 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(N)CC#CC1CCCC1 2274164404 KBXHMDLZEFVMET-WMZOPIPTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H](C)[C@H](C)CC 2276631666 SLLUKIJHPJNWHI-ZACQAIPSSA-N 271.489 4.763 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CCC[C@@H]1C 2277127077 DHOUCICXUNOGLK-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2277802636 AVDRDDMLCVISKJ-WBMJQRKESA-N 283.818 4.602 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@H](NCCC)CO1 2278170426 BHOJVHKABAQWDI-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)[C@H](C)CC 2278244796 UFMBGEWONBNYDJ-BRWVUGGUSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCOC1 2278248178 ZTJMJJMWDXSBMS-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1 2279646900 PDTQQYCYIKHPNO-KFWWJZLASA-N 289.385 4.690 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C=O)CCc2ccccc2C1 2280500182 ONKAUBHDULBSEO-SUMDDJOVSA-N 270.416 4.577 30 10 CJEE CC(C)C(C)(CN=C1NCC2(CCCC2)CS1)C(C)C 2283861949 VGDZVQNSUQPRMF-UHFFFAOYSA-N 296.524 4.558 30 10 CJEE C[C@@H]1CC[C@H](C(C)(C)CC=CC#CC(C)(C)C)[C@@H](N)C1 2284082564 WTWYWGJIALJMNT-IKGGRYGDSA-N 275.480 4.772 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cncn1C(F)F 2284787136 JISKCYKVUMENRM-CYBMUJFWSA-N 287.398 4.809 30 10 CJEE C=CCCCS[C@@H]1CC(C)(C)C[C@](C#N)(NC(C)C)C1 2287082463 DRFZGYIGKWEGSE-NVXWUHKLSA-N 294.508 4.525 30 10 CJEE C=C(C)CCCCN1CC[C@]23CCCC[C@@]2(C1)C3(F)F 2287379196 NQSIGQGGXALWPU-CVEARBPZSA-N 283.406 4.634 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)c1csc(C)c1 2287390098 LYYGABJOZNCWLW-DLBZAZTESA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@H](O)c1c(F)c(F)c(F)c(F)c1F 2287464599 AKLNVGBDIUDKIL-QMMMGPOBSA-N 294.263 4.552 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(OC(F)F)c1 2287467330 UXSZKEKUKLHZPD-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE 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284.440 4.809 30 10 CJEE C=CCCCC[C@@](C)(CCCC(F)(F)F)OCCCN 2293268197 HDTIUIDFGHOJMA-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=C1CCC(C[C@H](OCCCN)C(C)(C)C(C)C)CC1 2294108686 SJLALWVVHVWJTC-KRWDZBQOSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(F)(F)F)C(=O)O 2295599703 VFVYKDSWKDHDSI-CYBMUJFWSA-N 298.345 4.549 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccccc1 2295673441 HYNJQRQJGOWGMG-ROUUACIJSA-N 277.452 4.578 30 10 CJEE C=CCC(CC=C)C[C@@H](O)c1ccccc1Br 2301051368 URLBHAZSNNEBST-OAHLLOKOSA-N 295.220 4.641 30 10 CJEE O=C1C=C(CCCc2cc(Cl)cc(Cl)c2)CC1 2302397855 XDAQWYTWXLGBHZ-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC[C@@H]1NCC 2313652314 VQLPSBCUNDCRQS-HOTGVXAUSA-N 267.482 4.551 30 10 CJEE C=CCC(CC=C)SCCN[C@H](C)CCC(C)C 2313686204 IRZBMAAPDKCYLS-OAHLLOKOSA-N 269.498 4.655 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 2316734205 ONICMOKNQRIYIY-OWCLPIDISA-N 250.426 4.578 30 10 CJEE C=CCC(CC=C)[C@H](CCC(C)(F)F)NCCC 2316738841 LPSKPYQDAGGWFX-AWEZNQCLSA-N 259.384 4.558 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1CCC(C)=C(C)C1 2321226396 WNUSYFOYJCOKQK-IKGGRYGDSA-N 250.426 4.866 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2327363387 BUSMFYXSGIJWKD-YMTOWFKASA-N 290.209 4.995 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)c(SC)c1 2328520478 FNIALZIMFGXSLQ-VXGBXAGGSA-N 262.422 4.517 30 10 CJEE O=C(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)C1=CCCCCC1 2329794891 QVNORHJQWHIKAM-YUTCNCBUSA-N 268.347 4.518 30 10 CJEE CCC(=NOCc1cccc(F)c1)c1ccc(C)cc1C 2330259220 BWDFEKMRMIFKIS-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE C=CCC(CC=C)N[C@@H](c1ccc(C)cc1)C1CC1 2335114481 UYPOWNIKBOFJDW-SFHVURJKSA-N 255.405 4.557 30 10 CJEE CCCCCCCCCCNc1nncc(C)c1C 2336787260 DSIDCTYJEFOUSB-UHFFFAOYSA-N 263.429 4.646 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)C1CCC(C)(C)CC1 2337066258 SSGRIHQIAHBKKE-HYVNUMGLSA-N 263.469 4.926 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(F)c(Cl)c1 2337080345 HBTXYZRSHRVVJX-BFQNTYOBSA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@@](N)(CC(C)C)c1ccccc1 2338745063 SVOGXGHKHKBEMW-SFHVURJKSA-N 257.421 4.655 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(N)c(C(F)F)c1 2339101774 METWXLMNMNXURX-LLVKDONJSA-N 269.335 4.720 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CC1(C=O)CCC(F)(F)CC1 2343335168 QYEYOAFWNVPZJM-QWHCGFSZSA-N 272.379 4.843 30 10 CJEE CC1(C)CC[C@@H](CC[C@]2(C=O)CCCC(F)(F)C2)C1 2344888170 HJCOXEULNMDGIG-DZGCQCFKSA-N 272.379 4.988 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)[C@H]1C[C@H]1C 2351895657 GFJYKFSXELQBCN-YCPHGPKFSA-N 284.465 4.746 30 10 CJEE CC[C@H](CN(C)C[C@@](C)(CS)C(C)(C)C)C(C)(F)F 2352094235 CTYGEKVRVCGFNA-OCCSQVGLSA-N 295.483 4.582 30 10 CJEE C=C(C)C[C@H](CC1CCC(CC(F)(F)F)CC1)NC 2353167986 SVDIHHCNINHVCJ-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE CC(C)C[C@@H](CS)CN1CC[C@H](C)c2ccccc21 2353835771 OEYVOUJXXIXKAJ-LSDHHAIUSA-N 277.477 4.592 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@@H]1C[C@@H]2CCO[C@H]12 2358116947 BGTGCZUTEFYXJL-XWTMOSNGSA-N 281.484 4.660 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)OCCN 2360047839 ZBYFTBHLQGWCCK-OWSLCNJRSA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(F)cc1C 2360205857 QULWZOVSNVOHEV-QGZVFWFLSA-N 293.451 4.649 30 10 CJEE CN(Cc1ccsc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 35719184 WWUNPOHMYYNODD-HRCADAONSA-N 290.476 4.534 30 10 CJEE CCCCCC[C@@H](C)Nc1ccc(Cl)c(C#N)c1 36973146 NWXCWHZJTNYPGH-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1c(Cl)cccc1Cl 37939006 FLDZCGRCVZJMMB-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2ccc(F)cc2)c1C 57685726 JIPHITATPLYJQJ-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCc1ccc2ncc(C#N)c(Nc3ccc(F)cc3)c2c1 64438735 LGPWTOBJDBAAGT-UHFFFAOYSA-N 291.329 4.552 30 10 CJEE N#Cc1cc(Nc2ccc(F)cc2Cl)nc2ccccc12 68772160 NJDOSPKCPKDKLC-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCCc1nc(-c2ccccc2OCC)sc1CS 82428356 SXCKFJWFKIJLTK-UHFFFAOYSA-N 293.457 4.591 30 10 CJEE O=C1/C(=C\c2cccc(F)c2)CCc2c1[nH]c1ccccc21 83316544 MEGRICGENMZDBR-RAXLEYEMSA-N 291.325 4.520 30 10 CJEE CCC[C@@H](CS)CSCc1ccccc1C 87098079 IRVUJEMJRYIXGK-ZDUSSCGKSA-N 254.464 4.574 30 10 CJEE C[C@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1Cl 88513237 DVTCCXPFLYFGFZ-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)C2CCCCCC2)CC1 91903840 TWYCEFAVBOPRBD-NXYGQSRBSA-N 277.452 4.818 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cc(Cl)cs2)CC1 93097226 LYYYYDQWDXBSHJ-WPBUFGDCSA-N 297.851 4.935 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H](C)[C@@H]1C 94577388 IJGYHBVXXOUBDT-CABCVRRESA-N 271.514 4.623 30 10 CJEE CCCCCCC[C@H](Cc1csc(C)n1)NCCC 108175208 NQKCXOGNNGVOKW-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CCCCCCCCO[C@H](c1cccc(C)c1)[C@@H](C)N 109988920 IYSBYULYZUSXFN-AEFFLSMTSA-N 277.452 4.760 30 10 CJEE CCCCCCCCOc1ncccc1CNCC(C)C 110157836 OKSFBYXBKGBDEJ-UHFFFAOYSA-N 292.467 4.567 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(CC)CC2)C1 110264212 YYVUQCBUWYMFGG-XMMCJJCJSA-N 290.495 4.996 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(OC)c(OC)c1 112888781 YZPYCSIXHYNOPC-INIZCTEOSA-N 293.451 4.715 30 10 CJEE CCCCCCCCCc1nc2ccc(N)cc2o1 115063557 BJLKNBSJGVNBMD-UHFFFAOYSA-N 260.381 4.703 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cn2ccccc2n1 116028714 NKCFXLJAZMDKQU-QGZVFWFLSA-N 288.435 4.899 30 10 CJEE CSc1cccc(NCC[C@H](C)c2ccccc2)c1C#N 130546494 LJBITTPLZAXMGS-AWEZNQCLSA-N 296.439 4.886 30 10 CJEE Cc1cc(Oc2c(C)ccc(C)c2C)ccc1C#N 133507545 FYDVFQZFHPYENC-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE C#CCCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 133979137 OLXVNPNDWLUREI-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE CCCCCCCCOc1cc([N+](=O)[O-])ccc1Cl 134205359 HPWZBCMYJHQPFX-UHFFFAOYSA-N 285.771 4.988 30 10 CJEE CCCCCCCCc1n[nH]c(=S)n1-c1ccccc1 139091015 JODUAAOITLCCIU-UHFFFAOYSA-N 289.448 4.833 30 10 CJEE C=C(C)C[C@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 156321365 HPOYFOSVWHWMQX-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE SCCCCCSCc1ccc(Cl)cc1 159185946 ZMJYRQDONKPZGH-UHFFFAOYSA-N 260.855 4.673 30 10 CJEE CCCCCCCC(=O)[C@H]1[C@H]2c3ccccc3CC[C@H]21 164715851 CCYVLMWDMKYJSE-NEWSRXKRSA-N 270.416 4.892 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)cc(Br)c1 167678251 OPEZXUYAVOWKQI-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCCc2cccnc21 168018828 BHPVHTWVWVWATD-MRXNPFEDSA-N 273.420 4.821 30 10 CJEE CCCCCCCC[C@@H](Cc1ccn([C@@H](C)CC)n1)NC 168396645 FCXBBTXWJKCWFJ-IRXDYDNUSA-N 293.499 4.735 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 226200343 LUZBTIMSOLIJAW-PGUXBMHVSA-N 296.336 4.814 30 10 CJEE CCCCCCC[C@H](O)[C@H]1[C@H]2c3ccccc3CC[C@H]21 231976838 BFYPIEZJSWQDRP-XWSJACJDSA-N 272.432 4.684 30 10 CJEE Cc1ccc2oc(C(=O)C=C3CCCCC3)cc2c1 235986602 NWOOCTQDOMGBIV-UHFFFAOYSA-N 254.329 4.814 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1C(C)(C)C 250831048 RDYUWCRECDNHLO-KZNAEPCWSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1C[C@@H]2C[C@@H]2C1 253053087 WTYWPTIQHSRFIF-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CC(/C=C(\C)Nc1ccccc1)=Nc1ccccc1 256314385 PWYOZUDBDQUBBL-ZHHXUOIASA-N 250.345 4.795 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2sccc2Cl)C1 304579352 QKJFSZMLCWOCHE-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 308054057 KEKYBEPBWWMUQL-HOCLYGCPSA-N 291.822 4.979 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCOCc2ccccc2)C1 309920449 VSVMFHSXFUSCGP-WMZOPIPTSA-N 271.404 4.703 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H]1CCCCC1(C)C 311320821 AFPQBVRKKHXBLX-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE CCN[C@H](CCCC#CC(C)(C)C)c1ccccc1 311351516 WCQSQVYDRRGHSA-QGZVFWFLSA-N 257.421 4.557 30 10 CJEE CCCCCCC[C@@H]1N([Si](C)(C)C)C(=O)C12CCCC2 312930835 NYWGCEGYOXIURV-HNNXBMFYSA-N 295.543 4.953 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CCc2ccccc21 317802339 GKKGHQMZHWINTL-IBGZPJMESA-N 271.448 4.615 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 320223399 UEGMRZOBOVURDI-MFKMUULPSA-N 255.283 4.605 30 10 CJEE C=CCC(C)(C)CO[C@@H](C)C(=O)c1cccc(Cl)c1 378657192 CEGZGNUFTKJNGW-LBPRGKRZSA-N 280.795 4.530 30 10 CJEE CCC(CC)[C@H]1CN/C(=N/CC2CCC(C)(C)CC2)S1 380502336 XXVZDMOCMWVHRR-OAHLLOKOSA-N 296.524 4.700 30 10 CJEE C=CCCCCCCNc1cccc(Cl)c1C#N 380588388 COXCVPYGHUAWNR-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)c1ccccc1)NN 395018594 MEBSUYURLMAJIE-WMZOPIPTSA-N 276.468 4.763 30 10 CJEE C=CC(C)(C)CNCc1cccc(Oc2ccccc2)c1 395391806 PEUBVNLLXINVBP-UHFFFAOYSA-N 281.399 4.781 30 10 CJEE CC(C)[C@H](C#N)CNc1cc(Cl)c(Cl)cc1Cl 397520818 VKWDIVOXQNSVAL-MRVPVSSYSA-N 291.609 4.854 30 10 CJEE CCCC(CS)(CCC)COc1ccc2c(c1)OCC2 401943912 NPXGAQHKBSUAOY-UHFFFAOYSA-N 294.460 4.517 30 10 CJEE C[C@@](C#N)(c1ccccc1)c1ccc(C(F)(F)F)cc1 405592797 IOTVSBCEPKJMEK-OAHLLOKOSA-N 275.273 4.535 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CCC)CC(C)C 505036828 ZVWKKIPHZOKKLU-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE N#CCc1cc(F)ccc1-c1cc(Cl)ccc1Cl 514262963 HTAGNMXOMRPZGG-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCC[S@@](=O)CCCCOc1ccccc1 586379107 RVASAZOQWZITEK-HXUWFJFHSA-N 296.476 4.565 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CC2CCC1CC2 691673978 NBXZOZRJDUFCCN-IKJBURDNSA-N 263.469 4.641 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3CCC[C@H]4C[C@@H]43)n2)c1 691699702 MFATXGVIMIVJKJ-CFVMTHIKSA-N 280.396 4.585 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@H]21 691780432 VESRMKZQZGRZCX-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693410983 OLNOKHGOSPGHKS-QDMKHBRRSA-N 273.411 4.760 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697312011 UUEDSGWUXUAIQE-PUJLNQRNSA-N 273.464 4.536 30 10 CJEE C=CC(C)(C)CCNc1cc(C)c2ccccc2n1 701872902 VMQGJIIFMXYEHW-UHFFFAOYSA-N 254.377 4.557 30 10 CJEE CCCCCCCCOC[C@H](NC)C1C(C)(C)C1(C)C 707053287 HYOSYYDIOLGXAK-HNNXBMFYSA-N 283.500 4.634 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)OCC2(C)C 707947248 JQBPRMLEHOUEIF-UHFFFAOYSA-N 274.404 4.900 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cccc2ccccc12 710010069 OSJFMLSTEJREHV-CYBMUJFWSA-N 252.361 4.580 30 10 CJEE C=CCCC1(CNCC)CC(C)(C)CC(C)(C)C1 710938663 YMYJDLCJKIQZBO-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc2ccccc2c1 715811034 GQPMRBMOMLDIIV-RDTXWAMCSA-N 253.389 4.703 30 10 CJEE CC[C@H](OCC1(CS)CCCCCC1)C1CCC1 719754464 JHGSAUSMDPYQRV-HNNXBMFYSA-N 270.482 4.852 30 10 CJEE CCCCCCCCCc1nc(CCC(=O)OC)cs1 721004267 UPJSJJGKXSNVLG-UHFFFAOYSA-N 297.464 4.542 30 10 CJEE 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SCC1(COC[C@@H]2C[C@H]2C2CCCCCC2)CCC1 2135990694 PLFINSGOBVDMAI-HOTGVXAUSA-N 282.493 4.710 30 10 CJEE CC[C@@H]1CC[C@H](C[C@@]2(C#N)CCCC(C)(C)CC2)O1 2136747220 DGAZANZWTKAZHE-BFYDXBDKSA-N 263.425 4.834 30 10 CJEE C#C[C@H](NC1CC(CCCCC)C1)C1CCCCC1 2138972162 CKVUYXPUOLWFBD-VJFUWPCTSA-N 261.453 4.517 30 10 CJEE CCCCC#CC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2138983429 GGUMOFXPFDKORU-TVFCKZIOSA-N 261.453 4.504 30 10 CJEE CCCC#CC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 2138991161 RJIWGHSNCLBKDV-KURKYZTESA-N 263.469 4.622 30 10 CJEE CCCCC#CC[C@H](NCC)c1cc(C(F)F)cs1 2138994361 PVLKWUWDRWTEDV-ZDUSSCGKSA-N 285.403 4.920 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1NCc1cc2sccc2s1 2140595412 ZKWYFUVQNVREMB-AAEUAGOBSA-N 290.457 4.525 30 10 CJEE CCCCCCCCCc1nc(C2CC(N)C2)cs1 2140899758 PBJYIHIMHAJFEZ-UHFFFAOYSA-N 280.481 4.641 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H](CC)OCC 2141908266 MIBSMWASIMOKSY-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)C(C)(C)CCN 2142436087 TULDIWRRLQRSJZ-UHFFFAOYSA-N 267.457 4.627 30 10 CJEE C=CCCCCCCCC[C@@]1(N)C[C@@]1(C)C(F)(F)F 2142442410 VYBJAOIEBILEOC-ZIAGYGMSSA-N 277.374 4.963 30 10 CJEE C=CCCCCCCCCNCC(C)(C)COCC 2142451105 SNYGISLCEKPKKF-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE CCCCC[C@@H](CC)OCc1cc(C#N)ccc1F 2142463836 YFVWJJPVXADUGJ-OAHLLOKOSA-N 263.356 4.573 30 10 CJEE CCCCCCCC[C@H](N)CC12CCC(C)(CC1)OC2 2144357996 RTHSHIFOBZTBCS-AOCRQIFASA-N 281.484 4.804 30 10 CJEE CCCc1ccccc1CNc1ccc(C#N)cc1Cl 2144499500 GVRITDGHEFMKER-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1ccccc1C(C)C 2147372626 DUILIVODMVOALR-MSOLQXFVSA-N 277.452 4.531 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)[C@@H]1CCCC[C@H]1C 2148582098 JNBKPZZEGKDTJM-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)C1CCC(C)(C)CC1 2148589456 JTFVNERVSNWSMW-IAGOWNOFSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](NC)[C@](O)(CC)[C@H]1CC1(C)C 2148590467 MRTUSUIOGJBLQH-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)C1(C2CC2)CC1 2149870474 NBFQOAVZHPCLJC-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CN(CC1(CS)CCCCC1)C1C[C@H]2CCCC[C@@H]2C1 2151535626 WPKBBBXNAUKUJP-HZPDHXFCSA-N 295.536 4.767 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnn(C)c1CC 2152900927 BRHOKIGBBXBSGV-INIZCTEOSA-N 279.472 4.513 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2)CC1 2157118614 ATDLBCXIGLRRAR-DOTOQJQBSA-N 291.822 4.874 30 10 CJEE C=C1CCC(N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 2157444335 XUIARIHQRYLCTK-HNNXBMFYSA-N 269.432 4.715 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC(F)(F)C[C@H]2C1 2160219104 DPNBPPQBPVSZNE-LJIZCISZSA-N 283.406 4.535 30 10 CJEE C=CCCCCC[C@]1(CNCCC)CCOC(C)(C)C1 2161597055 HZLVWVVBUORMSB-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CC(C)C[C@H]1CC[C@H]1N=C1NC2(CCCCC2)CCS1 2161933081 UEQPKXXSUGVATA-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE C=CCCOCCC1(CNC(C)(C)C)CCC(C)CC1 2163905175 STAAKODGRCGJOI-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccc(-c2ccccc2F)o1 2164166052 PQCVYIOWSCPLRI-SJCJKPOMSA-N 273.351 4.558 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@H](C)c1ccccc1 2164177690 DKAKLPJKEHKLAA-FUHWJXTLSA-N 271.448 4.598 30 10 CJEE CCCC[C@@](C#N)(CC)[C@]1(O)CCCCC12CCCC2 2164478421 VBSCVAORMYOLOH-SJLPKXTDSA-N 277.452 4.962 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cn2cc(Cl)ccc2n1 2164482281 OJPGOPLDIMSRHF-INIZCTEOSA-N 289.810 4.640 30 10 CJEE CCCCCCCCCC[C@H](CC1CC(OC)C1)NC 2164495316 BYTVDDLZEVPSEO-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@H]1CCCCCC1(F)F 2164921484 BLQOOVKFZCRBDB-GFCCVEGCSA-N 298.764 4.839 30 10 CJEE C=C(C)CN(CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 2165130258 JZCFUVKINVGHSX-YESZJQIVSA-N 276.468 4.629 30 10 CJEE N#CC1(C[C@@H]2CC3(CCCC3)CO2)CCCCCCC1 2166214860 HFVWKPZRDFSTAL-MRXNPFEDSA-N 275.436 4.980 30 10 CJEE N#C[C@@]1(Cc2ccccc2C(F)(F)F)CCC12CCC2 2166798316 RZNKHUBVGDWQGR-HNNXBMFYSA-N 279.305 4.722 30 10 CJEE C=CC1(C[C@@H](NCC)c2c(Cl)cccc2OC)CCC1 2168024638 VYRYZJWGTRWNNT-CQSZACIVSA-N 293.838 4.746 30 10 CJEE CCCC1CCC(N(C)c2cc(C)ccc2C#N)CC1 2168432417 SPBCADGTTNHVKU-UHFFFAOYSA-N 270.420 4.662 30 10 CJEE CC1(C)CCC[C@](C#N)([C@](C)(O)CC2CCCCC2)C1 2168538161 CXJUFRDZPQYIAG-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE CC1(C)CC[C@H](C[C@]2(C#N)CCCCC23CCC3)OC1 2173627828 CAILXRVAQOMSNL-QAPCUYQASA-N 275.436 4.836 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@]1(O)CCCCC12CCC2 2173631301 BTNSFCXMPJCUGP-MSOLQXFVSA-N 275.436 4.572 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H]1CCCCC12CCC2 2173676454 ODMYZZCPDDYZKI-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC(=O)c1nccc(C(C)(F)F)n1 2174416788 OOOGILQLSIGAMH-UHFFFAOYSA-N 284.350 4.522 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1[C@H]2OCC[C@@H]21 2176341212 CGXACRHMSBAOKM-OWSLCNJRSA-N 282.468 4.693 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2nsnc2c1 2177171211 BSEGGUQOJJLVLS-MRXNPFEDSA-N 292.448 4.865 30 10 CJEE CN(c1cc(Cl)c(C#N)cc1F)[C@@H]1CCC2(CCC2)C1 2177388650 NZSOYDMGLBHBAF-GFCCVEGCSA-N 292.785 4.510 30 10 CJEE C=CCCCC[C@@]1(CNC(C)(C)C)C[C@H](C)O[C@H](C)C1 2179681769 USXCBPNRRXDIPA-VQFNDLOPSA-N 281.484 4.695 30 10 CJEE Cc1cc(C)c(C(=O)C2=CC[C@H](C(C)(C)C)CC2)cn1 2181661887 IXMOXGIUINSVHQ-HNNXBMFYSA-N 271.404 4.654 30 10 CJEE C=CC[C@@](C)(Nc1ccc(C(F)(F)F)cc1F)C(F)F 2182188173 XEWANUMTNCBUOZ-GFCCVEGCSA-N 297.242 4.856 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(C)c(C)nn1 2185712084 YDCNFGSHURNUSH-QGZVFWFLSA-N 278.440 4.658 30 10 CJEE CC[C@H](CCC(C)C)N(C)c1cccc(SC)c1C#N 2186004487 BYLWRUHIVLSQOR-CQSZACIVSA-N 290.476 4.931 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1C[C@H](N)C1(C)C 2186200234 IPILFSCIWOAUOJ-RDJZCZTQSA-N 281.484 4.850 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccccc1OC(F)F 2186781153 QWTSYAIYVLYXAG-UHFFFAOYSA-N 295.672 4.605 30 10 CJEE CC(C)(C)CC1CC(N=C2NC3(CCCCC3)CS2)C1 2188239311 OTZUCDCJKRQBJY-UHFFFAOYSA-N 294.508 4.597 30 10 CJEE CCSc1cccc(Nc2cc(CC)ccc2C#N)c1 2188848899 PRZOTCOHFPQPDM-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE N#C[C@]1(C[C@@H]2CC3(CCCCC3)O2)CCCC(F)(F)C1 2189580766 QNBOIQRIGGFASY-KGLIPLIRSA-N 283.362 4.588 30 10 CJEE CCCCCCCC[C@H](NCCC)C12CC(C1)[C@@H](C)O2 2193088805 VZNBJFBGOVFMFM-ZLZJIPBDSA-N 281.484 4.673 30 10 CJEE CC#CCCC[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2194065409 QOGZUXBXMXQPRL-MANSERQUSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCN1C(=O)[C@@H]2CCCCCC[C@@H]21 2195536127 XUXLMVGUTLVSRT-SJORKVTESA-N 279.468 4.918 30 10 CJEE CCCCCCCCN(C)[C@@H](C)c1cc(F)ccc1O 2196712870 IKSCLXDCMDHCQK-AWEZNQCLSA-N 281.415 4.885 30 10 CJEE CCCCCCCN(C)c1nc([C@@H](C)CC)c(CO)s1 2196726095 CSOBOBHPCOUIPL-ZDUSSCGKSA-N 298.496 4.556 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1cc2ccccc2s1 2197137671 PPWHPIJFRJMHLV-SFHVURJKSA-N 279.408 4.875 30 10 CJEE CC1(C)CC[C@@]1(C)Nc1ccc(C(F)(F)F)c(C#N)c1 2197285595 NVSPSHRURUDPJQ-CQSZACIVSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCC[C@]1(O)CCOC2(CCC2)C1 2197349927 XVDQSJRMUKHSRM-KRWDZBQOSA-N 282.468 4.981 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCOC2(CCC2)C1 2197352660 MDAKVUBHMUGRTH-QGZVFWFLSA-N 281.484 4.948 30 10 CJEE C=C[C@H](N[C@@H]1CCC(C)(C)c2ccccc21)C1CCC1 2197822245 HWHVEMJSZGQOCI-ZWKOTPCHSA-N 269.432 4.743 30 10 CJEE CCCCCCCCOC[C@@H](NCC)[C@H]1CCC1(C)C 2203738244 BSPDAXOYWJKPAU-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CC2(CCC2)[C@H]1OC 2206561283 DTBZRBRWLOVWNP-SJORKVTESA-N 281.484 4.626 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H]1CC[C@H](N)C1 2207395573 FOZXFRIULFMELS-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](O)C1(O)CCCCCC1 2207403342 NKMMIZOEDPELLZ-KRWDZBQOSA-N 282.468 4.739 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@@H](OC)C1(C)C 2207405248 RCLQTJMBUZCLPM-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCN[C@H]1CCC[C@H](OC)CC1 2207413846 LJHZFTANZIEQJR-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1csc([C@@H](C)N)n1 2207425794 URCCICXGTKCAJE-UKRRQHHQSA-N 296.480 4.503 30 10 CJEE C=CCCCCCCCCC1(N)CC2(CC(OC)C2)C1 2207428962 DMJFCPYMZIKSJF-UHFFFAOYSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CC2(CCC2)[C@H]1OC 2207438355 STMQEHKHXGLSFA-SJLPKXTDSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC1(O)C[C@@H](C)N(C)[C@H](C)C1 2207449687 ROCKCRFLWPBUGA-IAGOWNOFSA-N 281.484 4.527 30 10 CJEE CCCCCCCC[C@H](CN)N1CCCC[C@@H]1C(C)C 2207451134 UYNNKPDGPRORRC-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C[C@H]1C=CCCCC1 2207453210 KPDCGRXRGKJFRK-KSZLIROESA-N 281.484 4.562 30 10 CJEE CCN[C@@](C#N)(CSCC1CCCCC1)C[C@H](C)CC 2207553553 HBCUOLKYPHAOFG-WBVHZDCISA-N 296.524 4.608 30 10 CJEE C=CC(C)(C)COC[C@H](NCCC)C1CCCCCC1 2208068284 ZFCTXPKCKFBNPH-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCN1CC[C@H](C)C[C@H](C)C1 2220093313 QOIPGEOONVEQOB-IRXDYDNUSA-N 251.458 4.881 30 10 CJEE C=C[C@@H](N[C@@H](C)c1cc(C)cc(Cl)c1)C1CCC1 2222148714 PZOJROVXHSWLNX-BLLLJJGKSA-N 263.812 4.654 30 10 CJEE CCCCCCCC[C@@H](C)NC(C1CC1)C1CC1 2223856324 BVPUBRYWGQCUAT-CQSZACIVSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2225309814 YGQXQAJYGNDUMJ-NBOOPKSLSA-N 263.469 4.783 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccccc1C(C)C 2225419619 ZGZYEKHIGIZAMF-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=C(c1ccccc1)[C@H](N)Cc1cc(Cl)ccc1Cl 2225665943 JTWWRTIWXBAWCG-MRXNPFEDSA-N 292.209 4.577 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2227268274 OFGPXTPVWZWKSN-LJISPDSOSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCCOc1ccccc1[C@H](C)N 2227270725 ICSHMEBLZJUPRA-HNNXBMFYSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCC[C@@H](O)CCc1ccccc1 2227272106 CGGLHFSBWMGHIK-GOSISDBHSA-N 260.421 4.897 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2227283415 ZTFKCEIWSUTIOB-KCQAQPDRSA-N 270.363 4.764 30 10 CJEE CC1(C)CC[C@@H]1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227502711 ZBUHRDOEACMKRR-GHMZBOCLSA-N 296.197 4.606 30 10 CJEE CCCCCCCCCNC1C[C@H]2CSC[C@H](C1)C2 2228518735 LCDLSOBIJKTELU-HOTGVXAUSA-N 283.525 4.858 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)[C@@]1(C)CC=C(C)CC1 2229031585 YZETYSNMWCFOSR-AEFFLSMTSA-N 261.453 4.541 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCC12CCC(F)(F)CC2 2229681194 STXNHNPMHHPBKA-KGLIPLIRSA-N 271.395 4.679 30 10 CJEE CC1=CC(=O)[C@@H](CC2(C)CC3(CC(F)(F)C3)C2)CC1 2230584268 YATNRCJDHVMJIM-GFCCVEGCSA-N 268.347 4.518 30 10 CJEE CCCCCCCCCOC[C@H](NCCC)C1CC1 2230978015 MBXQLNACMCGJFR-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCO[C@H]1C[C@H](NCC)C1(C)C 2231015142 IEPRGOZTIVQAAO-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)C1CC2(C1)CC(C)(C)C2 2231542822 LCAPJNPEPUCVRV-YOEHRIQHSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)Oc1cccc(Cl)c1CN[C@@H](C)CC 2231568355 XPHXLIQJAACXKZ-STQMWFEESA-N 281.827 4.572 30 10 CJEE O=C(Cc1ccc(C2CCC2)cc1)C1=CCCCC1 2231700132 VEXNPJDTGASARK-UHFFFAOYSA-N 254.373 4.566 30 10 CJEE CCCCCCC[C@H](NC)c1nc(C)nc2ccsc12 2232702394 LSEVAZJEZFXYFY-ZDUSSCGKSA-N 291.464 4.621 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1OC[C@H]2CCCC[C@@H]21 2233173427 NKDIXHSZQKQENJ-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE C[C@@H]1CC(C#N)(CC2C[C@H]3CCC[C@H](C2)C3)C[C@@H](C)O1 2233738747 WRESXBDOFJFPAP-WCVJEAGWSA-N 275.436 4.690 30 10 CJEE C=CCCCCCCCCOCC[C@@H]1CNC(C)(C)C1 2234027617 PDCJJKMRUANHCJ-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C[C@H](C[C@](C)(C#N)NC1CC1)SCCCCCC1CC1 2235463541 JEDVMFFGZJABBP-RHSMWYFYSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)CCCCCCC 2235522763 XZEKWZUSWRBLFY-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CCC[C@@H](OC)C1 2235526369 KFKQAJFZCKXGTA-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc2c(c1)OCC2 2235527510 WBLOKMPVNGOAJP-KRWDZBQOSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccn(C(C)C)n1 2235532845 OKMYJYJRYPAKLU-INIZCTEOSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)C(C)(C)C(C)C 2235533476 UEDSUIKLCFLENK-DLBZAZTESA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCN(C)CC1C[C@@H](C)O[C@H](C)C1 2235766602 IFRUZMWUWPIDMC-IAGOWNOFSA-N 281.484 4.648 30 10 CJEE C=C([C@@H](NCCC)C1C[C@H]2CSC[C@H](C1)C2)C(C)(C)C 2236719801 KOKIGPAZVPVEIC-YQQAZPJKSA-N 295.536 4.736 30 10 CJEE C#CC[C@H](CN(C)[C@@H]1CCC[C@H](C(C)(C)C)C1)C1CC1 2238163814 WGEZGEUJCRVORH-FGTMMUONSA-N 275.480 4.573 30 10 CJEE CCCCCCCCCCCOC[C@H]1C[C@H]2CC[C@H]1N2 2239551012 RKLFJUPKHMGCFC-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCCOc1ccc(=N)[nH]c1 2239555758 AGHSSLGWKWQDDD-UHFFFAOYSA-N 278.440 4.794 30 10 CJEE 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C=CCCCS[C@H]1CCCCCC[C@@H]1NCCC 2258998594 YMFSUHTYEWUBCB-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=CCCCSc1cc(C)ccc1CNCCC 2259043712 DXHNTJFVYJORPS-UHFFFAOYSA-N 263.450 4.553 30 10 CJEE CSCC1(CC2(C=O)CCC(C)(C)CC2)CCC1 2260965693 QOWKWBQKBPNQDN-UHFFFAOYSA-N 268.466 4.695 30 10 CJEE CO[C@@H](CSCCCCCCCS)C1CCCC1 2263201911 DUNBJTPVBCIYKC-HNNXBMFYSA-N 290.538 4.805 30 10 CJEE CCCCCCCCC[C@H](C)NC1[C@@H]2CCC[C@@H]12 2263708482 NIGBQVYVFFTXMM-ARFHVFGLSA-N 251.458 4.904 30 10 CJEE C=CCCCCCCCOCc1cccc(N)c1C 2268289010 JXIHJTUJOZMEON-UHFFFAOYSA-N 261.409 4.620 30 10 CJEE C[C@@H]1CCC[C@H]([C@H](O)CC=CC#CC(C)(C)C)CC1 2268744776 BBRNFKCVHYOLNI-IXDOHACOSA-N 262.437 4.560 30 10 CJEE C[C@H](CC=CC#CC(C)(C)C)C(=O)c1ccccc1 2268753863 BZXCPZLBUZQELF-OAHLLOKOSA-N 254.373 4.501 30 10 CJEE C=CCCCCCCCSCc1nccc(N)c1C 2271516179 MIFCTUPCPBDGLG-UHFFFAOYSA-N 278.465 4.732 30 10 CJEE CC(C)(C)C#CC=CCc1cc(F)cc(C(F)F)c1 2271741865 ZGFSXSLDDNBNOS-UHFFFAOYSA-N 266.306 4.912 30 10 CJEE CCCC1CCC(C(=O)C#CC2CCCCC2)CC1 2273905745 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C=CCc1cccc(C(C)C)c1NC(=O)C(=CC)CC 2311450508 DUQCUYXRXDQLLH-UHFFFAOYSA-N 271.404 4.833 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCC[C@H]1NCCC 2313531781 NMTRZYMEYISPTA-XHSDSOJGSA-N 269.498 4.775 30 10 CJEE C=CCC(CC=C)Nc1ccc(C(F)(F)F)cc1 2313651452 NUZDMEHHWZESLL-UHFFFAOYSA-N 255.283 4.638 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1C[C@@H](SC)C1 2314262791 NRGAXMBKWDYNEU-OWCLPIDISA-N 271.514 4.857 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cccc2ccsc12 2319254127 ADVPUKSIAGHDDA-LSDHHAIUSA-N 257.402 4.518 30 10 CJEE C=C(C)C[C@H](C[C@]1(C)CCCCC1(F)F)NCC 2319293227 NOBPMPKHIILQTB-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(Cl)cc1C 2321099514 SOSZNSZLQGSCQT-HZPDHXFCSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1CCCC(F)(F)C1 2321117273 NQWWTGOHEMMYSH-MJBXVCDLSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(F)c1F 2321134041 LDLHQOWMWCFJGU-AWEZNQCLSA-N 272.722 4.793 30 10 CJEE C=CCC(C)(C)[C@H](O)C1=CC[C@H](C(C)(C)C)CC1 2321231498 GCVXRJUBTNJLGB-LSDHHAIUSA-N 250.426 4.722 30 10 CJEE CCCC[C@H](CC)N(C)CC1(CS)CC(C)(C)C1 2321751474 DXQSTHLPYBFVGA-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE Cc1ccc(C=CC(=O)ON=C2CCCCCCC2)cc1 2326832594 YBOZCJGOPIZNFR-UHFFFAOYSA-N 285.387 4.652 30 10 CJEE CC(C)CC1CC(C#N)(c2ccc(F)cc2Cl)C1 2328536228 KDMIHRDQSMPILV-UHFFFAOYSA-N 265.759 4.697 30 10 CJEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNC1CC1 2335240934 GBDFHGXOZCEHTK-JTQLQIEISA-N 299.842 4.788 30 10 CJEE C=CCC1(Nc2nc(Cl)nc3cscc23)CCCC1 2335937852 HNBZIFAPGMZHFA-UHFFFAOYSA-N 293.823 4.646 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCc2cc(Cl)ccc21 2337095324 ZJSIURDERHSWDO-DQYPLSBCSA-N 275.823 4.662 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1c(F)cccc1Cl 2337110719 DLXJVKVQGQKECB-ZOWXZIJZSA-N 281.802 4.875 30 10 CJEE CCCCCCCCCC[C@@H](C#CC1CCC1)NC 2337427058 KEIRXUQQJZGVFJ-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CCCCCCC[C@H](O)c1ccncc1C(C)C 2338610805 LGCQUNIVQDYQGJ-KRWDZBQOSA-N 261.409 4.765 30 10 CJEE C=CCC(CC=C)[C@]1(O)CC[C@@H](C)c2ccccc21 2338741541 OKTXARFWRNBSMV-RDTXWAMCSA-N 256.389 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2338744629 PKRXOAGICLBBMS-KSZLIROESA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(F)c(Cl)c1 2338744902 RTTFXMHMXHXSNM-INIZCTEOSA-N 281.802 4.898 30 10 CJEE Cc1c(C[C@@]2(C#N)CCO[C@H](C)C2)ccc(Cl)c1Cl 2338854355 NELURUXMLHHUHV-MEBBXXQBSA-N 298.213 4.553 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCC1(F)F)NCCC 2344337296 PKYKQHFNCJCMFT-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C)cc1C 2344372318 QWQCGXBOTSZCHS-QGZVFWFLSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CCCC2(CC2)C1)NCC 2344378443 GIMJWZKUOBYEOG-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1CCCC[C@H]1C(F)(F)F 2344476696 NCFXALIYUPHMQL-JHJVBQTASA-N 278.358 4.708 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1C[C@@H](C(F)(F)F)C1 2352780422 IAJHLNZIKQVJMB-MJBXVCDLSA-N 278.358 4.853 30 10 CJEE CSc1cc(NC2(C(C)(C)C)CCC2)ccc1C#N 2353829900 GWKBRNBATADIMR-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE Cc1ccc(COC(CC(C)C)CC(C)C)cc1C#N 2360306886 IEUZTDIHNCNIJT-UHFFFAOYSA-N 273.420 4.844 30 10 CJEE Cc1cc(OCc2cccc(C#N)c2)ccc1C(C)C 21031524 PMCLOZAHONIFQU-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Sc1ccccc1Cl 37154769 SRJVDNGXSLHGAP-PWSUYJOCSA-N 251.782 4.514 30 10 CJEE Cc1ccc(N[C@]2(C#N)C[C@H](C)CC(C)(C)C2)cc1 37935468 ZRRXLMVGELYSJJ-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE Cc1cccc(/N=C2/NC3(CCC(C)CC3)CS2)c1C 53099490 IZHGWNZOBUODGN-UHFFFAOYSA-N 288.460 4.576 30 10 CJEE N#CC[C@@H](Nc1ccccc1C(F)(F)F)c1ccccc1 55015027 QVFCQMQRLRYTCK-CQSZACIVSA-N 290.288 4.772 30 10 CJEE Cc1cc(C)c([C@@H](C#N)CCOc2cccc(F)c2)c(C)c1 57695818 BQMQFXIHKXXNJU-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE Cc1ccccc1CSc1cc(C#N)c2ccccc2n1 68796840 OMAASMMBROZZOS-UHFFFAOYSA-N 290.391 4.707 30 10 CJEE CCC[C@@H]1CCCN([C@@H](CC#N)c2ccccc2)CC1 79378580 IJPJLAKLEFLYSX-AEFFLSMTSA-N 270.420 4.544 30 10 CJEE CCOc1ccccc1-c1nc(C2CC2)c(CS)s1 82436651 CMMFBGZKMJXHFF-UHFFFAOYSA-N 291.441 4.516 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)CC1 86949128 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DILISFMIOCLTMV-UHFFFAOYSA-N 286.425 4.746 30 10 CJEE C=CCCCCCC(=O)c1c(F)cccc1Br 236165363 CVOIMNWNURYGKR-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE CCCCCCCCC[C@]1(CN)C[C@H]2CC[C@H]1C2 250828092 OWQABADMGMIJOR-YESZJQIVSA-N 251.458 4.892 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1O 252722934 SDCVCUGOCVDABC-ATZDWAIDSA-N 290.447 4.973 30 10 CJEE C=C(C)C[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 253040707 KQPHDTIHCQYQDL-BPQIPLTHSA-N 259.437 4.761 30 10 CJEE C=C(Br)CSc1ccc(Cl)c(Cl)c1 306194343 FJWHDYJLMXZQPK-UHFFFAOYSA-N 298.032 4.994 30 10 CJEE C=CCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 309793821 HMEUAKVRZBQGHS-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C=C(C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 309802070 WPKDWXBRQGYFDQ-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(F)cc1F 312083864 VIUQDEPCRJTBNF-CYBMUJFWSA-N 267.363 4.752 30 10 CJEE N#CC1([C@]2(O)CCCCC23CCCC3)CCCCCC1 312297567 AJYHWKHOSZRMOJ-SFHVURJKSA-N 275.436 4.716 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(F)c(Cl)cc1F 379882439 SGLNLLZSWLRRNN-OAHLLOKOSA-N 299.792 4.708 30 10 CJEE CCC1CCC(C#N)([C@H](O)C2(C)CCCCCC2)CC1 394669386 LJRKPQSZEOUNPR-UPTPFMHGSA-N 277.452 4.818 30 10 CJEE CCc1csc(S[C@@H]2C[C@@H](CC)CC[C@@H]2C#N)n1 394869297 WYMGSVDELJJAOL-DMDPSCGWSA-N 280.462 4.516 30 10 CJEE CCC1(CC)CSC(=Nc2cccc(C(F)F)c2)N1 395337697 DYMSMCOPZLHUMA-UHFFFAOYSA-N 284.375 4.507 30 10 CJEE C[C@](C=O)(Cc1cc(Cl)ccc1Cl)c1ccccc1 405740951 ZXDWYPZJKLAJBT-MRXNPFEDSA-N 293.193 4.693 30 10 CJEE C=CCCc1ccccc1NCc1ccn(C2CCCC2)n1 409845168 XZEDGPMUJCIYPD-UHFFFAOYSA-N 295.430 4.729 30 10 CJEE C=CCCc1ccccc1NC(=O)C(CC=C)CC=C 410353393 LDEQLCNCKADXDJ-UHFFFAOYSA-N 269.388 4.512 30 10 CJEE COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 514260042 AGVRZMNMIDLLHY-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C=C[C@@H](CC(=O)N1CCCCC[C@H]1CC)c1ccccc1 535396889 PJSSMHPZIKXCSJ-FUHWJXTLSA-N 285.431 4.528 30 10 CJEE COc1ccc(Cl)cc1C#Cc1ccc(F)cc1Cl 587916421 KBBWPTOLZLXDRF-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE CCCCCCCCOC[C@H]1CCC2(CCCC2)CN1 694528048 IPBLSGQEMDAOBD-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE C[C@@H](CCC#N)Nc1cccc(Oc2ccccc2)c1 695790827 KLXIADYUUTZKAY-AWEZNQCLSA-N 266.344 4.583 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnc(Cl)n1C 696478959 OSFPELVVARSXKD-CQSZACIVSA-N 286.847 4.638 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C3CC3)C(C)(C)C)C[C@@H](C1)C2 697316407 VHFYWVSZDSJPQH-BBJBPXSTSA-N 261.453 4.536 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(F)cc1Cl 701865639 UIEAIFLXLXCIFB-LLVKDONJSA-N 269.791 4.732 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)C(F)(F)F)NN 705563087 MOGDHXDBNOKZEH-STQMWFEESA-N 282.394 4.548 30 10 CJEE CC(C)CCCCNc1ccc(C(C)(C)C#N)cc1 707423179 DWRJXOSCNJGLGR-UHFFFAOYSA-N 258.409 4.726 30 10 CJEE SCC1(CN2CC[C@H](C3CCCC3)C2)CCCCCC1 708800207 UJEPOGDQKQHLMI-KRWDZBQOSA-N 295.536 4.769 30 10 CJEE CC(C)[C@]1(C)C[C@H]1/N=C1/NC2(CCCCCCC2)CS1 713188347 PIAOGBXNRSNTID-ZBFHGGJFSA-N 294.508 4.597 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1 714258843 BIHBVEOSEKZQDF-USXIJHARSA-N 268.404 4.638 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCCC[C@H]21 714276214 NPPUMETWPFHEEG-XHBSWPGZSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 715724928 WUEIQJDDFJEHFT-PRHODGIISA-N 277.717 4.571 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 721828720 XRWBGXPGWYASFI-GVDBMIGSSA-N 283.500 4.919 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H](C1CCCC1)C1CC1 723851967 HYYBJTHAIVYOFR-INIZCTEOSA-N 274.795 4.592 30 10 CJEE C=C1CCC(CNc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 724453046 ZXEQHLZGOYPRCB-UHFFFAOYSA-N 298.745 4.546 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cc(OC)cs2)CC1 724618991 UHBASMJMWXLXSY-MRXNPFEDSA-N 293.476 4.934 30 10 CJEE C=CCOc1ccc(COC(=O)C(CCC)CCC)cc1 1127856285 DJRNXTDZAAOEHA-UHFFFAOYSA-N 290.403 4.511 30 10 CJEE C=CC(C)(C)CCNC(=O)c1cc2cc(C)ccc2s1 1131400485 DBFIXPUTFDZLKA-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=CCn1c(SC[C@@H](C)CC(C)C)nc2ccccc21 1164498526 WUGYMWZZILJQKA-AWEZNQCLSA-N 288.460 4.997 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1ccc(F)c(Cl)c1 1174771804 VZLMDRDIZYNLHA-BNOWGMLFSA-N 279.786 4.723 30 10 CJEE C=C(C)CN(Cc1ccc2[nH]ccc2c1)Cc1cccs1 1175034543 AAFSECCZOHPAAR-UHFFFAOYSA-N 296.439 4.808 30 10 CJEE C=CCCCCCN(C)C/C=C/c1ccc(F)cc1F 1180199745 XFDAXRJTIWPEJO-CMDGGOBGSA-N 279.374 4.656 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)Cc1ccc(Cl)cc1 1183673877 UDNMKZDLOKXWNL-AWEZNQCLSA-N 279.855 4.853 30 10 CJEE CCCCCCCCCN(C)C[C@H]1CCC(C)(C)O1 1190493072 HKBVKQCOHAQBGK-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE C=C[C@H](C(=O)N(CC)c1ccc(CC)cc1)c1ccccc1 1290703799 FOUJTDARSXMFPA-IBGZPJMESA-N 293.410 4.572 30 10 CJEE C=CCCC[C@H](Nc1cc(CC)nc(C)n1)c1ccccc1 1307197004 LLJRZDGLMDIGBY-SFHVURJKSA-N 295.430 4.857 30 10 CJEE C=CCCCCCN(C)Cc1c(Cl)ccnc1Cl 1308617572 BSRTXBBDZHQNPA-UHFFFAOYSA-N 287.234 4.567 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@H]1c1ccc(C)cc1 1353925305 BJOVMAXTTOPLRY-AEFFLSMTSA-N 285.431 4.651 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 1353925307 BJOVMAXTTOPLRY-SJLPKXTDSA-N 285.431 4.651 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](CC)CCCC 1435135557 XAWXTBLTPXHJIB-KRWDZBQOSA-N 279.468 4.798 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H]1CCc2c(F)cccc21 1459345419 IRYHUSCHIPJSOV-IBGZPJMESA-N 299.364 4.640 30 10 CJEE Cc1cc(CN[C@@H](CCC(C)C)C(C)(C)C)ccc1C#N 1461203624 GQSRWWOKOMJNDC-SFHVURJKSA-N 286.463 4.807 30 10 CJEE C=CCCCC[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 1462169147 WGGXOSYTLNTQON-WMLDXEAASA-N 295.854 4.752 30 10 CJEE C=CC(C)(C)CNC(=O)N(c1ccccc1)c1ccccc1 1463689137 AZUWSBXONQXDMT-UHFFFAOYSA-N 294.398 4.747 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(CCCC)cc1 1464907382 SYATZTPGWVOORK-UHFFFAOYSA-N 288.435 4.896 30 10 CJEE C=CC(C)(C)CCCNC[C@@H](CC)c1ccccc1 1474256678 SRNWSBPXVYZSRJ-MRXNPFEDSA-N 259.437 4.762 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCC[C@H]1CC 1474532398 KCAGTJBWJGZBJM-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1523488290 GSGHKJLCWMFSBK-MRXNPFEDSA-N 299.458 4.605 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC1(c2ccccc2)CCCCC1 1525406215 DQHRBRWJXTXTNG-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccccc1C(F)(F)CC 1536144066 OAUWATRQPBLBRS-UHFFFAOYSA-N 281.346 4.729 30 10 CJEE C=CC[C@H]1N(C(=O)c2cc(C)sc2C)CCCC1(C)C 1542579011 KCGZNTFDBHATEB-OAHLLOKOSA-N 291.460 4.572 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 1560530730 NHOPWAMVYHKGQE-GOEBONIOSA-N 297.364 4.930 30 10 CJEE C=CCC1(NCc2ccc(SC(F)F)cc2)CCCC1 1560533209 JXGRHXKWDHWRBM-UHFFFAOYSA-N 297.414 4.980 30 10 CJEE C=CCC1(NC(=O)CC[C@H](C)c2ccccc2)CCCC1 1587441537 CAEXZBDWTNORBX-INIZCTEOSA-N 285.431 4.575 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc2ccccc2c1 1623976660 SPVWXBIKWCQDLY-UHFFFAOYSA-N 281.399 4.562 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(CCCCC)C(C)C 1638168641 NYIDUVGJNFTQBH-UHFFFAOYSA-N 282.472 4.589 30 10 CJEE C#CCCCCCCN(CC)c1ccc2[nH]ccc2c1 1642750525 FLSYQCUXFZFXKL-UHFFFAOYSA-N 268.404 4.578 30 10 CJEE C=C(C)CCN[C@@](C)(Cc1ccccc1)c1ccccc1 1643422195 WPNLQOXZOQTUMN-FQEVSTJZSA-N 279.427 4.700 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(F)c2ccccc12 1654618197 MKXBMDWTIOUAHL-AWEZNQCLSA-N 271.379 4.986 30 10 CJEE C=CC[C@@H](C)N1CC(C)(C)c2ccc(Br)cc21 1655093534 CJBTXMHXSZUKQI-LLVKDONJSA-N 294.236 4.511 30 10 CJEE C=CC[C@@H]1CCCN(c2cc(C(C)C)nc(C(C)C)n2)C1 1655652260 RDECCUDZCXCUKW-OAHLLOKOSA-N 287.451 4.516 30 10 CJEE C=CCCCCN1CCc2cc(-c3ccccc3)oc2C1 1657719008 GKZPUNHEXLIQHH-UHFFFAOYSA-N 281.399 4.661 30 10 CJEE C#Cc1ccc(N[C@H]2CCCCC2(C)C)c(Cl)c1 1660116488 DWDXGGMBMRRSFU-HNNXBMFYSA-N 261.796 4.702 30 10 CJEE C=CC[C@@H]1CCCN(C/C(C)=C/c2ccccc2COC)C1 1660234790 SCPHHKWEVNSMKC-VJSYINPZSA-N 299.458 4.524 30 10 CJEE C=CCN(CCc1ccco1)C[C@@]1(C)C[C@@H]1c1ccccc1 1664016658 BHDPREFDIQEGMY-WOJBJXKFSA-N 295.426 4.504 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(Cl)ccc1F 1879653009 HPBDZKBFXFVADK-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC#CCCC[C@H](NCCC)C1C[C@@H](C)C[C@H](C)C1 1879654400 VTKPWYJQGJEDPW-BQFCYCMXSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC(=O)[C@]12C[C@H](CCO1)C2 1886796466 TWNUGYOSQILIQH-WOVMCDHWSA-N 266.425 4.655 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H](C)CC[C@H]1C#N 1887041647 KNULOCGLFCVJEN-IXDOHACOSA-N 264.457 4.607 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H]1CCC[C@H](C)CC1 1887454079 VVPXVBBZXDVVIJ-FJIDUMEYSA-N 263.469 4.621 30 10 CJEE C#CC[C@H](C[C@H](N)C1(C)CCCCCCC1)C1CC1 1887454136 WEXZANMDILNKKJ-SJORKVTESA-N 261.453 4.504 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(F)c(Cl)c1 1887454359 XYCKLFKLOMVSTR-BLLLJJGKSA-N 281.802 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1csc(C)c1 1888674464 MABAWYDLEJRISR-KRWDZBQOSA-N 271.429 4.811 30 10 CJEE C=C(C(=O)c1ccccc1C(C)C)c1ccccc1 1888719468 SGIYOHXLVIVIBZ-UHFFFAOYSA-N 250.341 4.706 30 10 CJEE C=C(Cl)C[C@H](NC)c1c(Cl)cc(F)cc1Cl 1901874333 XSLXYVVSLKXSAM-JTQLQIEISA-N 282.573 4.536 30 10 CJEE Cc1cc([C@@H](C)N=C2N[C@@H](C(C)(C)C)CS2)c(C)s1 1911883423 LAAQUJUXZHBXQS-ZWNOBZJWSA-N 296.505 4.533 30 10 CJEE N[C@H](CC#CC1CCCCC1)C1CC2(CCCCC2)C1 1912645973 OCPRMTDRUZGMIR-GOSISDBHSA-N 273.464 4.648 30 10 CJEE C[C@H](NCC#C[Si](C)(C)C)c1ccc(C(C)(C)C)cc1 1916257645 DWYWHEUKILGHSI-HNNXBMFYSA-N 287.523 4.516 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=N[C@H]2CCC3(CCCC3)C2)N1 1916469074 PXECDTRQRMNUIG-UONOGXRCSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[S@@](=N)(=O)c1ccc(F)c(F)c1 1917849998 RCQUOLXUIPVFKC-LJQANCHMSA-N 289.391 4.731 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CCCCCC 1919401296 GRIIPHTWWSVLLK-MRXNPFEDSA-N 256.430 4.637 30 10 CJEE CCCCCCC[C@](C)(N)CC1[C@H]2CCCC[C@H]12 1919516369 VMNIQSOKFRDMDB-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE C=C([C@@H](NC)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922860873 RSDWEJWCRJGJFW-CYBMUJFWSA-N 288.294 4.688 30 10 CJEE C=C([C@H](O)CCCCCCCCC)[Si](C)(C)C 1923032995 ZDVQSHHNHNZTBT-OAHLLOKOSA-N 256.506 4.922 30 10 CJEE C[C@@H]1CCC[C@@H](N=C2N[C@@H](CC3CCCC3)CS2)CC1 1926666408 FCYMPVWIYUYAJI-BMFZPTHFSA-N 294.508 4.597 30 10 CJEE CCCCCCCN=C1N[C@@H](CC2CCCC2)CS1 1926702063 GLXUDMUGXLTKOU-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cccc(C(F)(F)F)c1 1964041394 BPMDNHAFSCQATE-GFCCVEGCSA-N 271.326 4.540 30 10 CJEE CC(C)c1cccc(CNc2ccc(Cl)c(C#N)c2)c1 1968473769 NPMCQNVJJOEGOY-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE C=CCCCCNc1cccc(Br)c1Cl 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2230994112 VWKDBBGBWYGKIV-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=CCCCCCCCCC[C@H](O)C1(CC)CC(N)C1 2233432792 JVFUWUBVLQKTAV-ADKAHSJRSA-N 281.484 4.562 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1C[C@@H]1C1CCCCCC1 2233799267 QVJFTMSYYWGXTP-KZNAEPCWSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)c1sc(C)cc1C 2234198885 HNQMPPXJUQUHRR-SJORKVTESA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)C(CC)(CC)CC 2235525888 FPMUXNPNMGUADM-IAGOWNOFSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1csc(CCC)n1 2235537593 CSSSZEZMCFRXTC-CQSZACIVSA-N 295.496 4.517 30 10 CJEE C=CCCCCCCCN1CC[C@@H](OCCC(C)C)C1 2235539612 QIHXHVQIHZEUCT-GOSISDBHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCN1CCn2c(C)ccc2[C@@H]1C 2235540514 XZMXPYHZCWBEKH-KRWDZBQOSA-N 274.452 4.700 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](OC)C1CCC1 2235542969 XZLBNKIQSNIOQD-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc2c1CCO2 2238079049 ILPPYZYRFYEUCP-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CC(C)(C)[C@H]1CSC(=N[C@H]2CCC[C@@H](C(C)(C)C)C2)N1 2238171133 RXIWILYESCATNY-HZSPNIEDSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCOc1ccc([C@@H](C)N)cn1 2239506752 DCAHZKGBUMHZPI-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCO[C@H](C)c1ccc(C(=O)O)o1 2239542177 JBOVXOKYRIUDAU-CYBMUJFWSA-N 282.380 4.806 30 10 CJEE C=C([C@H](NCC)c1ccc(C2CCC2)cc1)C(F)(F)F 2240376667 BBTGEKZFYYNVHN-HNNXBMFYSA-N 283.337 4.723 30 10 CJEE CCCCCC#CCNCCCCC(F)(F)C(F)(F)F 2240427809 WIJDXLYBXKBDSH-UHFFFAOYSA-N 299.327 4.528 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@H]1C=CCCC1 2240640541 RGXOVTQMTUWBIX-KSZLIROESA-N 281.484 4.562 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC1(C)C 2241430092 SQXDDEVGDVXBFN-KRWDZBQOSA-N 257.421 4.501 30 10 CJEE CC1(C)OB(CCCSC2CC3(CCC3)C2)OC1(C)C 2242175696 AJJHSQYNAXMUMQ-UHFFFAOYSA-N 296.285 4.535 30 10 CJEE C=CCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2250058582 BOVRABJXMOIIOC-HZSPNIEDSA-N 251.439 4.650 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(Cl)ccc1C 2250148993 CSFRMKKBOJNMHL-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC1(C)C)NCCC 2259238541 INVDGIRNIURJAF-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@H](NC)c1sc(C(F)(F)F)cc1C 2263306753 VZXVUNCSJNNJNF-JTQLQIEISA-N 277.355 4.692 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cc(C)ns1 2263660659 JCTORTOQSNKGFM-OAHLLOKOSA-N 269.454 4.800 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CCCC 2263662501 SPXJDUOEVNKDNY-MRXNPFEDSA-N 256.430 4.637 30 10 CJEE C[C@H]1CCC[C@@H](CCC2(C=O)CCC(F)(F)CC2)C1 2265134230 WFKVFMYZKRNGDJ-KBPBESRZSA-N 272.379 4.988 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(Cl)c1OC 2267965443 YCCWVYLHLNBAAH-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2c(F)cc(C)cc2F)CC1 2268233948 OYQUUMJHBCTRLK-LLVKDONJSA-N 264.315 4.592 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C[C@@H](C)CC 2268758394 WIQLUEKMBOHOCD-DLBZAZTESA-N 263.469 4.787 30 10 CJEE CCCCC#CC[C@H](NCC)c1csc(Cl)c1OC 2268928482 MTGHPOMBAMZXJD-ZDUSSCGKSA-N 299.867 4.644 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1C[C@@]1(C)COC 2269218981 RQRANZOBHQYQJY-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C[C@H]1C[C@](C#N)(CCCCC[C@@H]2C[C@H]2C)C[C@@H](C)O1 2269521237 ZHLYKSGZXWQTEW-UUAJXVIYSA-N 263.425 4.690 30 10 CJEE C[Si](C)(C)CC1CC(Nc2cccc(Cl)c2C#N)C1 2271499221 YMHFKGHEJLCRLZ-UHFFFAOYSA-N 292.886 4.740 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CCCC(F)(F)CC1 2271785982 RMFRGVFCIFNDPM-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE Cc1cnc([C@@]2(C#N)CCCCC23CCC3)c(Cl)c1 2271895750 LAWQNKYQCNCROL-INIZCTEOSA-N 274.795 4.549 30 10 CJEE N#Cc1cccc(SC2CC3(C2)CC2(CCC2)C3)c1 2273985537 ZIKGUVJSKPJUFH-UHFFFAOYSA-N 269.413 4.763 30 10 CJEE CC(C)CC1([C@@H](O)C#CC2CCCCC2)CCCC1 2274052294 DKGAKNMHZMOVLC-KRWDZBQOSA-N 262.437 4.538 30 10 CJEE C=C(CC)C[C@@H](CCCCCCC)OCCC(=O)O 2275766058 OELAPUNVACYWGZ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC1(OCCN)CCCCCCC1 2276227314 CXFWBJHMIBGQTO-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)[C@@H](C)CC 2278251103 UFMBGEWONBNYDJ-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CCC(C)(C)N(CCC#N)CC[C@H]1CCCCC12CC2 2279653579 QDPSIYXKENWGFO-MRXNPFEDSA-N 276.468 4.751 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CC(C)(C)CCO1 2280275167 YYJURISCFWGCEW-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE COC1(CS[C@@H](CC#N)c2ccccc2)CCCCC1 2280308030 QLCKCGCMUFWBQS-INIZCTEOSA-N 289.444 4.724 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1sccc1CC 2283076531 PWVUUSZHEVVEML-INIZCTEOSA-N 294.460 4.830 30 10 CJEE CCCCCCCC[C@@](C)(O[C@@H]1C=CCCC1)C(=O)O 2285657527 AYKJKQNKLSMFBG-NVXWUHKLSA-N 282.424 4.706 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(C2CC2)nc1 2287378106 XDPPGHJCHGTYLN-KRWDZBQOSA-N 272.436 4.746 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cccc(COC)c1 2287415191 TXQCHEHEKZYMNU-GOSISDBHSA-N 275.436 4.620 30 10 CJEE CC(C)CCC[C@@H](C)CCN(C)c1ccccc1C#N 2287965162 LXYZGRRSOIBBGE-MRXNPFEDSA-N 272.436 4.847 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@]12CCC[C@@H]1CC2 2289086086 GNYHWWQRCBXPLN-SOLBZPMBSA-N 280.452 4.637 30 10 CJEE O=C(C#CC1CCCCC1)c1ccc2ccccc2c1 2289616088 YCTKEUADVIAZLF-UHFFFAOYSA-N 262.352 4.606 30 10 CJEE CCN[C@@H](C#CC1CCCC1)[C@@H]1CCCCC12CCC2 2289702945 GAZHUUMFLAEUSF-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C1=CCCCC1 2290857816 AJIRTYJWOHWABC-INIZCTEOSA-N 282.424 4.707 30 10 CJEE C=CCC[C@@H](C)[C@](CCC)(OCCC(=O)O)C(C)(C)C 2291672431 SKAWDQZFCXCFHY-PBHICJAKSA-N 284.440 4.665 30 10 CJEE C=CCCCCCCC[C@@H](CCCCC)OCC(=O)O 2291807071 IOSPDFFCGBHJCJ-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCN)[C@@H]1CC1(C)C 2292796122 FUJKGEPHOOWWLY-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCC#CC[C@](C)(CCCCCCCC)OCCN 2292879299 MIABCLKRVDUEIN-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=C1CCC(CC2(OCCN)CCCCCCC2)CC1 2292909577 PUUHIAWLALFSEO-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCC1(OCCCN)CCC2(CCCCCC2)CC1 2293041936 SFPMRKBSDPAHGN-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CC[C@@H]2C[C@@H]2C1 2293264161 UYHPJFNELFPIKQ-TVFCKZIOSA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@@](C)(OCCN)[C@H]1CCCC(C)(C)C1 2293291411 HBGYMEXMEQIVBB-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CC(C)(C)CC[C@H]1C 2293364518 UISPUBULQSDYCS-RDTXWAMCSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ccsc1OC 2293369454 VWICTFYXZPDCBF-HNNXBMFYSA-N 299.480 4.524 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCCC12CCC2 2293686720 ZUXYQKRQBQOGQZ-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCC[C@@H](C)[C@@H](C#Cc1ccccc1Cl)NCCC 2295222496 TYOYMXLHCTXWPR-CRAIPNDOSA-N 291.866 4.886 30 10 CJEE C=CC[C@@](C)(CO)CN[C@@H](C)CCCCCCCCC 2295679088 MMBBKZIETIKMLE-ZWKOTPCHSA-N 283.500 4.680 30 10 CJEE COc1cccc(C=CC(=O)c2ccc(Cl)c(C)c2)c1 2295967794 LPTGVXYJEGVPLS-UHFFFAOYSA-N 286.758 4.553 30 10 CJEE Cc1ccc(C(=O)C=CNc2cccc(Cl)c2)c(C)c1 2296875620 ALEJNOMPZOWMQF-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE Cc1ccc(C)c(NC=CC(=O)c2cc(C)ccc2C)c1 2296876456 XJOPLPADVNOHMV-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE C=CCC(CC=C)CC(=O)c1ccc(Br)cc1 2301014314 AZUAFUWLDUMVAX-UHFFFAOYSA-N 293.204 4.790 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(F)cc1Br 2301049579 ZOBRPIQNZOXVLT-UHFFFAOYSA-N 297.167 4.539 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(F)(F)F 2308495747 LDLWIVXIMHVISV-JHJVBQTASA-N 265.363 4.523 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc(C)c(Cl)s1 2315794625 PUESEBQVFRQFOD-CYBMUJFWSA-N 281.852 4.554 30 10 CJEE CCCCCCCCO[C@@](C)(O)CCCC(C)C 2315948256 ZBLJKFKNNJDMGO-MRXNPFEDSA-N 258.446 4.898 30 10 CJEE C=CCC(CC=C)[C@@H](O)Cc1c(Cl)cccc1Cl 2316732344 VKSOJNNHVRXPBM-HNNXBMFYSA-N 285.214 4.665 30 10 CJEE C=CCC(CC=C)[C@@H](N)Cc1ccc(Cl)cc1Cl 2316742867 WQPPUKBQJHWLJB-HNNXBMFYSA-N 284.230 4.632 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cccc(Cl)c1 2316750811 XEBYHQVRHUOJSN-INIZCTEOSA-N 263.812 4.759 30 10 CJEE Cc1cc(Cl)ccc1OCC1(CS)CC(C)(C)C1 2321722797 LDZWWARFYRBVEZ-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329771657 NOUHFZKZSKHARG-YJNKXOJESA-N 274.395 4.779 30 10 CJEE C=CCC(CC=C)NC[C@H]1C[C@@H]1C1CCCCCC1 2335095563 CJXZAANCNCANPQ-SJLPKXTDSA-N 261.453 4.703 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1nc(C)cc2sccc12 2337097030 HBJCDYBTTXKWDO-TZMCWYRMSA-N 272.417 4.761 30 10 CJEE CC(C)(COCCCCCCS)Cc1ccccc1 2338825786 SRUYXUXMCSWCQD-UHFFFAOYSA-N 280.477 4.762 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(F)ccc1C1CC1 2341794854 KDDHWKMNYVVFCA-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2344345091 LLVKXPQABGLTJA-ZBRFXRBCSA-N 261.453 4.689 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCCOC)NCCC 2344345987 ZDQGRLLPIRTRGI-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)cc(OC)c1 2344356030 JYPNALSOQVSVEM-HOTGVXAUSA-N 281.827 4.602 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)cc(C(F)F)c1 2344377823 DPKBDUZWVYNCJQ-YGRLFVJLSA-N 271.326 4.626 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C(F)(F)F)cc1 2344394929 GZTYQVWOFLUGHX-AWEZNQCLSA-N 270.294 4.881 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1C[C@H]2CCC[C@H](C1)C2)NCC 2344396347 NGWYZXREYIWXCC-MUQADHOPSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCO[C@H]1CN[C@@H](C(C)C)C1 2344600160 FDEYHTPMWORYAC-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE FC(F)(F)c1cccc(COCCCCCCS)c1 2353124220 RCNMQDNWJXELPR-UHFFFAOYSA-N 292.366 4.712 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(OCCC)cc1 2360198753 NPJHHILJIQGBFQ-OAHLLOKOSA-N 273.420 4.647 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2c(s1)CC[C@H](C)C2 2360212537 IGROGYXNSZGSOU-LBPRGKRZSA-N 290.428 4.551 30 10 CJEE CSc1cc(C)c2sc(-c3ccccc3)nc2c1C#N 35067007 PTPZZWKLRDWAQX-UHFFFAOYSA-N 296.420 4.865 30 10 CJEE N#Cc1ccc(Oc2ccc3ccccc3c2)c(F)c1 36886864 UUAURXPGUNUXJJ-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE O=C1/C(=C/c2ccccc2Cl)Oc2ccc(Cl)cc21 39842284 HCOMSYLYEXUNRQ-AUWJEWJLSA-N 291.133 4.610 30 10 CJEE CCc1c(C)nn([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1C 40732546 QABKCJWTFPZWFB-VYDXJSESSA-N 287.451 4.589 30 10 CJEE CCCN[C@@](C)(C#N)CCSc1ccc2ccccc2c1 45219766 XIDHKPWQHHNVHX-GOSISDBHSA-N 298.455 4.604 30 10 CJEE CCC1(CC)CS/C(=N\c2cccc3ccccc23)N1 53045089 QLUMVEAJWJETHR-UHFFFAOYSA-N 284.428 4.723 30 10 CJEE Cc1cc(C)c(C[C@H](C#N)c2cccc(N(C)C)c2)c(C)c1 57760783 WFSQPZVRPTYGHJ-GOSISDBHSA-N 292.426 4.528 30 10 CJEE CSc1ccccc1/N=C/c1c(C)n(C)c2ccccc12 59248735 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C=CCCCCCCCS[C@@H]1CCNC2(CC2)C1 2313954596 OWYZGTGFCVCGSP-OAHLLOKOSA-N 267.482 4.531 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(OC)c(Cl)s1 2317934121 NXJBGESKOCGVKG-NSHDSACASA-N 287.856 4.807 30 10 CJEE C=CCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2317948629 PKGHUQIMPUQQSG-NSHDSACASA-N 287.856 4.937 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CC[C@H]1C(C)(C)C 2320142290 CGDZEAYDPZESBI-UONOGXRCSA-N 272.498 4.812 30 10 CJEE CCCCCCCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2320201097 NLVQFKPYDGIIFC-JKSUJKDBSA-N 253.474 4.961 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc2cc(Cl)ccc2o1 2321232585 LWDCQKVCNRUMMB-AWEZNQCLSA-N 264.752 4.722 30 10 CJEE C=CCC(CC=C)NC1CC2(CCC(C)(C)CC2)C1 2335094096 OVVOMOZDTGFBIM-UHFFFAOYSA-N 261.453 4.846 30 10 CJEE C=CC[C@H](C)S[C@@H](C(C)C)[C@H](NC)c1ccccc1 2335103648 OPTBEMQCSWQIMY-UAGQMJEPSA-N 277.477 4.670 30 10 CJEE SC[C@@H](COc1cccc(C2CCC2)c1)C1CCC1 2336354072 GFASYVUIIWILCD-MRXNPFEDSA-N 276.445 4.679 30 10 CJEE CCCN[C@H](C#CC1CCC1)C[C@@H](C)CC(C)(C)C 2337426185 BFMVGSFFVMDONP-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCCSCc1c[nH]c(C)cc1=N 2337756831 PYZFAVZXKVCNIC-UHFFFAOYSA-N 278.465 4.562 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CC=C(C)CC 2338531336 YOVVIYKUUFEOCW-SJORKVTESA-N 269.473 4.562 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H](CC)c1ccccc1 2338739852 ZQADPAHBLNQPRB-ZWKOTPCHSA-N 257.421 4.537 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1c(F)ccc(F)c1Cl 2338741603 OTRWRWBLQGURBL-HNNXBMFYSA-N 285.765 4.647 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(F)cc1C1CC1 2339207581 QGWHLPLAJRMRTM-YVEFUNNKSA-N 261.384 4.566 30 10 CJEE CSc1cccc(N(C)c2ccccc2Cl)c1C#N 2339249673 DZWZZMDSDJWNMO-UHFFFAOYSA-N 288.803 4.701 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCC12CCC2 2339280343 XGEMCIFGEOGRMF-KONPQCLYSA-N 258.405 4.518 30 10 CJEE CC(C)[C@@H](O)C(C)(C)CC1(C#N)CCC(C)(C)CC1 2340514598 VPBHKXQNBPDQMW-CQSZACIVSA-N 265.441 4.530 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CC[C@@H]1C1CC1)NCC 2342337441 JIKREHPANHOOQX-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCC(C)=C(C)C1 2343471161 QUJOWPHMOMPICZ-KZNAEPCWSA-N 261.453 4.847 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1c(C)nsc1C 2344341402 BOAJXLQDVSRWQS-HOTGVXAUSA-N 280.481 4.793 30 10 CJEE C=CCCCCCCCCOC[C@@]1(CS)CC1(F)F 2351885400 JGIHOYBUNCFZSI-CQSZACIVSA-N 292.435 4.875 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@@H](C)[C@H](C)C1 2352001174 KQYWERANAXLMLK-XJKCOSOUSA-N 282.449 4.520 30 10 CJEE CC(C)C[C@H](CS)COc1cccc(C(C)(C)C)c1 2353822946 UOIITFHJFJSJEA-AWEZNQCLSA-N 280.477 4.955 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C)OC 2356693868 KHKMYEOZKLRUMA-TZNCUMHOSA-N 281.484 4.529 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@H](CNC(C)C)C1 2358902775 GERDRYUENRZDGP-KSZLIROESA-N 281.484 4.552 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12C[C@H](CO1)C2(C)C 2359843200 BVALDDURFYNFKO-RYRKJORJSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)C1C(C)(C)C1(C)C 2360206145 UEYLFJGHRMCWAN-HNNXBMFYSA-N 295.536 4.901 30 10 CJEE C=CCC(CC=C)Oc1cccc([C@@H](C)NCCC)c1 2360218272 BMZFARKAIRYTHF-OAHLLOKOSA-N 273.420 4.647 30 10 CJEE C=C(C)COc1ccc(C(=O)Nc2cccc(C)c2C)cc1 14784374 MBEBIHJWJKJNKP-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(F)c1 36973460 UHUZIKAZQXRRLZ-JTQLQIEISA-N 274.726 4.524 30 10 CJEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2cccc(Cl)c2)c(C)c1 37344646 ISXKDKDOZVLRMV-INIZCTEOSA-N 297.785 4.755 30 10 CJEE Cc1ccccc1OCCC[C@H](C#N)c1ccccc1C 57686804 QNVPSNKTUOCUTP-QGZVFWFLSA-N 279.383 4.770 30 10 CJEE CCC(CC)c1nc2cc(F)c(F)cc2n1CCCC#N 57869327 LLHILJSAUKQLPV-UHFFFAOYSA-N 291.345 4.522 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(F)ccc1OC 59462117 HKMKGRVYXTYEEX-CQSZACIVSA-N 281.415 4.845 30 10 CJEE COc1ccc(Cl)cc1[C@H]1CCCCC[C@H]1CC#N 62670574 HNMRHEHAZPKJPF-JSGCOSHPSA-N 277.795 4.926 30 10 CJEE N#Cc1cc(-c2ccc3c(c2)CCCC3)cc2cc[nH]c12 76189618 NZUMBQZWDZCDNF-UHFFFAOYSA-N 272.351 4.585 30 10 CJEE CC1CCC(C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)CC1 91880648 GONRNCOUMSIAFR-CIQACWJJSA-N 298.213 4.747 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cc(C)sc2C)CC1 91884152 ZNJGMNZWXWKLCK-ARWYELJZSA-N 291.460 4.899 30 10 CJEE C=CCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 94201150 KSZBQUTWOQTQGQ-ZDUSSCGKSA-N 287.234 4.785 30 10 CJEE C=CCCC[C@H](CSc1cccc(C)c1)NCCC 97396534 WCLKBPRFSVAITR-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE CCCCCCCCCOc1ccc(CC(=O)OC)cc1 106150141 VFNHIIDADFQLKI-UHFFFAOYSA-N 292.419 4.532 30 10 CJEE CCCCCCCCCCCCN1CC(C)(C)NC[C@H]1C 114060454 GSMCISQHBHXBSW-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCN(CCC)C1CCC(N)CC1 118256288 VUPRQNQLNNZZIV-UHFFFAOYSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](C)[C@H](C)N 126600445 SDRPPYPQOGLIOD-HOTGVXAUSA-N 269.473 4.850 30 10 CJEE C=CC[C@H](NCCC)c1cc2cccc(Cl)c2o1 128083371 UVBVGVYGOFOMJA-ZDUSSCGKSA-N 263.768 4.703 30 10 CJEE Cc1cccc(Cl)c1Nc1c(F)cc(C#N)cc1F 133982732 CBJPPFVICVRUIV-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCCC(=O)c1snnc1C(C)C 135412538 XKRCQCRGBLUHEY-UHFFFAOYSA-N 282.453 4.985 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cncs1 147778467 QKOMSTWJNHQKEG-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H](N)c2ccccc21 157394379 NVXDKNGOIAMEAH-NVXWUHKLSA-N 296.439 4.521 30 10 CJEE CCCCCCCCOc1ncnc(NCCC)c1CC 158016161 IWZRYOASUQEPMV-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2sccc2Cl)cc1C 162988557 FVFPSBMOGVPNMC-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE C[C@H](N[C@@H](C#N)c1cccc2ccccc12)c1ccccc1 196581730 OHLWVWCLGKLJJT-YWZLYKJASA-N 286.378 4.755 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 228822064 JYLZSGIROFQSAV-NEPJUHHUSA-N 271.326 4.711 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(Cl)c(C)c1 229757039 NBOCNWNSHALMNP-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079867 YGQFJXYOLRHAAT-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CC(C)CCCCCCNc1ccc(F)cc1C#N 232542032 ONTXWAPORBKSEP-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CC1=C[C@@H](C)C[C@H](CNc2ccc(Cl)c(C#N)c2)C1 235680075 UFKKOUZXUMLHKW-YPMHNXCESA-N 274.795 4.616 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@H]1[C@H](C)CC 250799752 CFYFDJRIHKRWTI-CEXWTWQISA-N 296.543 4.836 30 10 CJEE CCCC[C@@H](CC)COc1ccccc1C(CC)=NO 252430340 JEVSWMAZZIADDM-CQSZACIVSA-N 277.408 4.870 30 10 CJEE CCCCCOc1ccc(C(CCCCC)=NO)c(O)c1 254683158 RFZMWJXRBRXJOW-UHFFFAOYSA-N 293.407 4.720 30 10 CJEE C[C@@H](Nc1cccc(C#N)n1)c1cc2cc(Cl)ccc2o1 301274937 LNWHRRDEFHROJM-SNVBAGLBSA-N 297.745 4.526 30 10 CJEE C=C(C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 309967702 LWLUZRDVIGUKHL-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC[C@H]1CC[C@H](C)N(CC2(CS)CCCCCC2)C1 311895151 WYUJRKZRJUEMOM-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE CC#CCC1(CNCCC)CCC(C(C)(C)C)CC1 319296866 ODKFADVNPQRYPQ-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CC[C@](O)([C@@H]1C[C@@H]1C)C1(C#N)CCC(C(C)(C)C)CC1 321442772 MVNNOXYKLFHBCL-OGPGOHNTSA-N 277.452 4.530 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1csc(Cl)c1 378976274 ABOCGXKTNOFIPK-ZDUSSCGKSA-N 283.868 4.882 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C#N)CCc3ccccc3C2)C1 380570894 UFVKTSRVHHGWEB-GPMSIDNRSA-N 267.416 4.902 30 10 CJEE C=CCCCCN[C@@H](c1ccc(Cl)cc1)C1CC1 385627879 RSLOMIDGIJWUSH-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE Cc1ccc(Cl)c(N=C2N[C@@H](C3CCCC3)CS2)c1 386343600 LWEDRJIOZUINDA-CQSZACIVSA-N 294.851 4.531 30 10 CJEE C=CCCCCN[C@H]1c2ccccc2CCC1(C)C 388975767 XAVRPRYXBKFACH-KRWDZBQOSA-N 257.421 4.646 30 10 CJEE Cc1cc(Cl)cc([C@@H](O)C2(C#N)CCCCCC2)c1 395071618 HVFGQAJRCLLAKL-OAHLLOKOSA-N 277.795 4.546 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 686475056 XLWMMPMCMZXRCL-OWCLPIDISA-N 268.441 4.900 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)c1ccccc1 686667177 HVQUTDRDWRRTDQ-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE CCc1ccc(Nc2ccccc2C#N)cc1Cl 691226836 IBRUAULTKXEFSX-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCc1ccc(NCc2cc(F)cc(C#N)c2)cc1Cl 691230667 QHCVYYQIBRDNKZ-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE CCSc1cccc(Sc2ncccc2C)c1C#N 692606911 BWGRHRNXBHWBMA-UHFFFAOYSA-N 286.425 4.525 30 10 CJEE CCCCCCCCCc1ccsc1CNC 693560661 ZOBUKGMGKTYORY-UHFFFAOYSA-N 253.455 4.761 30 10 CJEE CCCCCCCC[C@H](NC)c1csc(CC)n1 695355120 IETQOGOZZRVXTQ-ZDUSSCGKSA-N 268.470 4.717 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cccc(C2CCC2)c1 695788122 QPMRNPRGNDWABI-CYBMUJFWSA-N 256.393 4.694 30 10 CJEE CCCCCCCC[C@@H](CCC(C)(C)CC)NN 696653215 BILCERVWQAAFRE-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE CC(C)(C#N)CCCC[C@H](C(=O)O)C1CCCCCC1 696836382 BZUOUNQQDRGSBP-HNNXBMFYSA-N 279.424 4.768 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3cccs3)C[C@@H](C1)C2 697294844 DVJFPGJRYVVUSB-JKXDFHQYSA-N 261.434 4.534 30 10 CJEE CSc1cccc(N(C)[C@H]2CCC[C@H](C)CC2)c1C#N 697461003 CBQLCFVCMQBXAG-KBPBESRZSA-N 288.460 4.685 30 10 CJEE C=C(CN[C@H]1CCCC(C)(C)CC1)c1ccccc1 697620741 HEPOMHTYTPGNLN-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE C[C@@](C#N)(CC1CCCC1)Nc1ccccc1Cl 709774205 ZVKQKMGEYGYGDE-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE C1CCCC2(CCC1)CS/C(=N/CCC1CCCC1)N2 713203328 RTAWPAXOYNPZND-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCCCCCCC[C@H](NC)c1cnn(C(C)(C)C)c1 714272499 IJQWVMYVMAHRIG-INIZCTEOSA-N 279.472 4.649 30 10 CJEE CCCCCCCCC[C@H](N)CCc1ccns1 719872200 UMRLSOUIWNDUPB-AWEZNQCLSA-N 268.470 4.544 30 10 CJEE C=C1CCC(C[C@H](NC)c2c(F)ccc(C)c2F)CC1 724605188 HNDVXPYWVQZBRS-HNNXBMFYSA-N 279.374 4.670 30 10 CJEE N#CCc1cc2scc(Cl)c2cc1OC(F)(F)F 725286687 MGOVKQBQDFGAGS-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=C(C)CO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821229438 PDQFLNIMMWHLDD-HTXNQAPBSA-N 271.404 4.691 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCC(C)(C)C2)CCCCC1 1128694235 ZDRGSFMXOGIDCJ-OAHLLOKOSA-N 277.452 4.550 30 10 CJEE C=CCCCCCCCNC(=O)Cc1ccc(Cl)cc1 1129576860 PEKNIJRVOIEWGY-UHFFFAOYSA-N 293.838 4.525 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(OC=C)cc1)c1ccccc1 1129700720 LWLFOTRXPXQRDI-SFHVURJKSA-N 293.366 4.507 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCCC1 1130743828 OATIUSUNPMJOKD-FVQHAEBGSA-N 291.479 4.702 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCC[C@@H]1CCC)c1ccccc1 1131134975 SSCUYVWFCQVTLH-UAGQMJEPSA-N 272.388 4.673 30 10 CJEE C=C[C@@H](C(=O)N1CCC[C@@H]1CCCCC)c1ccccc1 1137489666 ITMGWYMJPBSXPD-ZWKOTPCHSA-N 285.431 4.528 30 10 CJEE C=CCCN(CCCc1ccccc1)OCc1ccccc1 1193563232 KGCMLLJMFYXIGF-UHFFFAOYSA-N 295.426 4.629 30 10 CJEE C#Cc1cccc(CN[C@H]2CCC[C@@H](C(C)(C)C)CC2)c1 1202813826 WPQFSQOJIHHAAE-MOPGFXCFSA-N 283.459 4.753 30 10 CJEE C#Cc1cccc(N(CC)C(=O)[C@H](CC)CC2CCCC2)c1 1264965916 FAMUPQPPOVXBRW-GOSISDBHSA-N 297.442 4.627 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)cc2SC)CCCC1 1276229473 YVGPGBAVOMCIEK-UHFFFAOYSA-N 289.444 4.792 30 10 CJEE C=CCCCN(Cc1ccc(Br)cc1)C(C)C 1307429245 PGQHGNPYZATQQG-UHFFFAOYSA-N 296.252 4.626 30 10 CJEE C=CCC(C)(C)C(=O)OCc1ccc(-c2ccccc2)cc1 1350152902 RDNOIYQFWFEHAT-UHFFFAOYSA-N 294.394 4.999 30 10 CJEE C=CCC[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 1350357025 GTGLUVJZADCZTF-GOSISDBHSA-N 285.431 4.529 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 1435039342 FCAPGCWYCXUFTP-BHIYHBOVSA-N 299.458 4.506 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cccc(C(C)(C)C)c1 1439845346 KPMZPHYUCMSQOY-KRWDZBQOSA-N 285.431 4.555 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C 1456667627 JYCUZCJIFYCAOS-CABCVRRESA-N 267.457 4.510 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1c(Cl)cccc1Cl 1458152249 ZQNUZSYRGILTDF-UHFFFAOYSA-N 286.202 4.559 30 10 CJEE C=CCC1(C(=O)Nc2ccc3oc(C)c(C)c3c2)CCC1 1459211600 FSMPPYQUDTXPNC-UHFFFAOYSA-N 283.371 4.735 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1 1467476387 ZFLWXRIZNHAITK-ZDUSSCGKSA-N 298.386 4.812 30 10 CJEE C#CCCCCCCN[C@H]1CC[C@@H](c2cccc(F)c2)C1 1474497762 MYUIVACAUCZQDY-MJGOQNOKSA-N 287.422 4.635 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cc(C)cc2ccccc12 1476619630 WRVAHDWLMSYFFF-UHFFFAOYSA-N 296.414 4.968 30 10 CJEE C=CC[C@H](C(=O)Nc1ccc(C2CC2)cc1)c1ccccc1 1520429722 KTTDTPRIPCPXEJ-IBGZPJMESA-N 291.394 4.862 30 10 CJEE C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 1521529506 PLSSSJLFVZTCHU-HNNXBMFYSA-N 293.410 4.743 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 1526896312 USOUHIMMVIWIIK-ODZFXCKXSA-N 279.468 4.700 30 10 CJEE C=CC1(CC(=O)Nc2ccc(F)cc2C)CCCCC1 1530897538 JDJZIYFWWRGYQO-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CC1(CC(=O)N[C@H]2C[C@H](c3ccccc3)C2)CCCCC1 1556421731 DQCRHIYUEFDJNG-IYARVYRRSA-N 297.442 4.575 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCCC2(CC2)C1 1562692318 CMINPCOKIHKPDM-MRXNPFEDSA-N 298.430 4.650 30 10 CJEE C=CCCCCN[C@@H](C)c1cc(OC)c2ccccc2c1 1620646342 XKKHABUZTTXPSG-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE C=CCC1(CNCc2c(C)c3ccccc3n2C)CCCC1 1620935154 CTOJXHQHVMWKNF-UHFFFAOYSA-N 296.458 4.713 30 10 CJEE C=CCC[C@H](C)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1621200525 MKWREFDXTILOJE-KSSFIOAISA-N 273.395 4.706 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc2ccccc2s1 1623981509 FEJLZBUQRIJUGI-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE C=CCCCC(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1624452582 WDTOCZLQIACBGL-KRWDZBQOSA-N 277.452 4.550 30 10 CJEE C=CCCC[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1 1625197326 RJPPDANOINOYRO-LJQANCHMSA-N 297.442 4.947 30 10 CJEE C=C(CC(C)C)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1630723325 SMQMEFAQDKVGEP-INIZCTEOSA-N 299.458 4.560 30 10 CJEE CCCCCCCN1CCC[C@@H]1C[C@H](O)c1cccs1 1641945413 CVBRYWRGWRHMNQ-CVEARBPZSA-N 295.492 4.606 30 10 CJEE C=CCCCN1CC[C@H](c2cccc(Cl)c2)C1(C)C 1648222168 LWRJTMINWLLRHJ-MRXNPFEDSA-N 277.839 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C=CCCCCC(=O)C1(c2ccccc2)CCCC1 2123085438 VDTIFUVLEDAJST-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1cscc1F 2125424200 HZUPVUIGFZISTO-HNNXBMFYSA-N 286.412 4.630 30 10 CJEE C=CC1(C[C@H](C[C@@]23CCC[C@@H]2C3)NCCC)CCC1 2125638809 UKAVPVQDSPLGMU-NUJGCVRESA-N 261.453 4.681 30 10 CJEE C=C(F)C[C@H](NCC)C(CC)(CC)c1ccccc1 2126109271 IGNIHNKUDAPGOS-INIZCTEOSA-N 263.400 4.596 30 10 CJEE CCCCCCCCCCOC[C@@H]1CNC(C)(C)C1 2127827814 CLKUZHRTYIPKEJ-INIZCTEOSA-N 269.473 4.532 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NCC1CCCCCC1 2128003874 BJIHZNCKOMRANP-UHFFFAOYSA-N 280.774 4.733 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2128423022 JSTXYBZIDAWINS-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCC(F)(F)C1 2128424077 OLRKVJIPADCWOV-CYBMUJFWSA-N 287.712 4.741 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C=O)CCCC(F)(F)C1 2128446612 JZHXWBJFVVNFRG-WDEREUQCSA-N 286.284 4.750 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)[C@@H]1C[C@H]1C1CCCCCC1 2135428676 SLFIXTKQYPMKTD-XDNAFOTISA-N 261.453 4.537 30 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270.420 4.906 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)[C@@H]1CCCC(C)(C)C1 2168628150 CLNBYECAFSIPHS-HZPDHXFCSA-N 278.484 4.901 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@](C)(CC)C1 2171025215 IEBKXCHNKMNWGN-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CN(c1cccc(Cl)c1C#N)C1CCC2(CCC2)CC1 2171497136 FNVOHLVCGGXJRY-UHFFFAOYSA-N 288.822 4.761 30 10 CJEE C#CCCCC[C@H](NCCC)c1cccc(C(F)F)c1 2173470133 GEVIVUMHBAUNFB-INIZCTEOSA-N 279.374 4.859 30 10 CJEE CC1(C)C[C@@H]([C@]2(C#N)CCCCC23CCC3)C(C)(C)O1 2173618290 IDZLGVRQHKGLMB-RDTXWAMCSA-N 275.436 4.834 30 10 CJEE CC1([C@@H](O)[C@]2(C#N)CCCCC2(C)C)CCCCCC1 2173633279 HPZGCOCBXOHCFU-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CC(C)[C@@](O)(c1cccs1)[C@@]1(C#N)CCCCC1(C)C 2173635069 OLBDIDTZRKUKTN-IAGOWNOFSA-N 291.460 4.702 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1CCC2(CCCC2)O1 2173637337 XLTCBWGBKGTLKD-RDJZCZTQSA-N 275.436 4.978 30 10 CJEE N#C[C@@]1(Cc2ccc3sncc3c2)CCCC12CCC2 2177207020 FZSMNLYAPCRADO-KRWDZBQOSA-N 282.412 4.703 30 10 CJEE CCCCC1CC(N=C2N[C@H](C3CCCC3)CCS2)C1 2180052930 POQLIWQOZVWLLI-BCLQGDPASA-N 294.508 4.597 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1C[C@@H]2CC[C@H](C1)O2 2181311408 HCFQSIFBWSAOKK-FJIDUMEYSA-N 281.484 4.802 30 10 CJEE CC1(C)CO[C@H](CC(=O)C2=CC[C@H](C(C)(C)C)CC2)C1 2181641376 DSAUXNWVYLRLQC-LSDHHAIUSA-N 278.436 4.533 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(F)cc(F)c2)CC1 2181672884 JAHOLFZLTNMWOF-ZDUSSCGKSA-N 278.342 4.920 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(Cl)cc3OC)C[C@@H](C1)C2 2188082419 OQTDIIOSNYQOSP-NNQSOWQGSA-N 291.822 4.895 30 10 CJEE C=CCC[C@@H](C)N(C)c1ccc(CNC(C)C)cc1Cl 2190847066 JJUHPJNTJZHARQ-CQSZACIVSA-N 294.870 4.629 30 10 CJEE CC#CCCC[C@@H](N)c1ccc(-c2ccccc2)cc1 2194063378 KEYCLEOEWHVGIR-LJQANCHMSA-N 263.384 4.547 30 10 CJEE C[C@@H](CN(CCC#N)CC1CCCC1)C1CCCCC1 2195557032 SLBHVGZXUFWYQG-INIZCTEOSA-N 276.468 4.609 30 10 CJEE CC#CCCCCC[C@H](CNC(C)C)c1ccccc1 2196174234 LVSOINFKBIPBCD-LJQANCHMSA-N 271.448 4.742 30 10 CJEE CCCCCCCCN(C)CCc1c(F)cccc1F 2196692609 PIWNANPUUJZPNB-UHFFFAOYSA-N 283.406 4.800 30 10 CJEE 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C=CCCCCCCCC[C@H](C[C@H]1CCCCO1)NC 2207436505 KSBOQUSBSUWCHF-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H](CN)N1CCCCCC[C@@H]1C 2207457151 NCIYTUVQJLAGCY-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C=CCCCCCCC[C@H](N)CCOCc1ccccc1 2209707272 YVYAHKUKBVQJCL-IBGZPJMESA-N 289.463 4.837 30 10 CJEE CC1(C)OB(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)OC1(C)C 2210032058 LRMGBBCRUYQQER-QLFBSQMISA-N 278.245 4.685 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)C[C@@H](C)CC 2214766483 YKEVHXICITZPGJ-WMLDXEAASA-N 259.459 4.606 30 10 CJEE CCCCCCCCCCNC[C@H](SC)C1CC1 2217851523 HPWHJGFEKKKSAY-INIZCTEOSA-N 271.514 4.858 30 10 CJEE CCC#C[C@@H](CCCCCCCCCC)NCC 2218436159 VOPUZFVSSZSOLP-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1C[C@H]1CC)NC 2220094110 UQSUFQKQELGBIU-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H](C)C1 2220098570 XDUMCSIOYDWQCO-DLBZAZTESA-N 251.458 4.881 30 10 CJEE C=CCCCCCCCN(C)CC[C@@H]1C[C@H]1CC 2220946055 ABVWUCNJGSEHFM-IAGOWNOFSA-N 251.458 4.881 30 10 CJEE 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JIACMKJOIWALBY-JTQLQIEISA-N 264.166 4.541 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716521708 XAMGINZUMWCIHJ-JJTUDDRGSA-N 252.442 4.780 30 10 CJEE CCCCCCCO[C@H]1CCCCC(C)(C)[C@@H]1NCC 719237996 HMLHXIXAZHPUDE-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 721399124 UZQTVVWVBPWXIK-ZOBORPQBSA-N 289.341 4.597 30 10 CJEE CCCCCCCC[C@@H](C[C@H](COC)C(C)C)NC 721723069 FJJKPEMEXDZBQP-SJORKVTESA-N 271.489 4.634 30 10 CJEE CCCC(CS)(CCC)CN(Cc1ccoc1)C1CC1 723754881 IUVOHXRSSCIIKQ-UHFFFAOYSA-N 295.492 4.760 30 10 CJEE C=C1CCC(C[C@H](O)c2ncc(Cl)cc2Cl)CC1 724547033 IIIMYERUICMMQH-ZDUSSCGKSA-N 286.202 4.558 30 10 CJEE C=C1CCC(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 724571048 KNBZFGIBDQBVLO-CGTJXYLNSA-N 263.469 4.783 30 10 CJEE C=C1CCC(C[C@@H](Cc2c(F)cccc2Cl)NC)CC1 724590755 ZHROBQZMFLZJTJ-AWEZNQCLSA-N 295.829 4.746 30 10 CJEE C=CCCO/N=C(\CC)c1ccc(SCC)cc1 821227594 YOGTVDGRONFOBT-FOCLMDBBSA-N 263.406 4.505 30 10 CJEE c1ccc(CCCO/N=C(/c2cccs2)C2CC2)cc1 821232794 MGGCSJHSFZRGAE-ISLYRVAYSA-N 285.412 4.512 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1 821996177 FRWMFHZLVDBQRN-RDJZCZTQSA-N 277.839 4.607 30 10 CJEE C=CCC1(C(=O)N(C)Cc2cc(C)cc(C)c2)CCCCC1 1128659449 UYGSWPDYDRBKMH-UHFFFAOYSA-N 299.458 4.788 30 10 CJEE C=C[C@@H](OC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 1130934917 ZITFTUYJVLNONV-LJQANCHMSA-N 292.378 4.577 30 10 CJEE C#Cc1ccc(NC(=O)C[C@H](C)CCCCC)c(Cl)c1 1134434965 GXLUXFGCTIWVPW-CYBMUJFWSA-N 291.822 4.866 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 1137483576 FVLMPWLVITURPK-QQBSYFJQSA-N 297.442 4.827 30 10 CJEE C=CCCC1(CNc2cc(C)ccc2[N+](=O)[O-])CCCC1 1163715455 BOBUCPGPPMUOCH-UHFFFAOYSA-N 288.391 4.842 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 1165742726 CGCIRTYJPLJEFZ-AEFFLSMTSA-N 299.458 4.557 30 10 CJEE CCCCCCCCCN1CCC[C@@H](CSC)C1 1170615126 WODBDQNXJKNPAY-MRXNPFEDSA-N 271.514 4.812 30 10 CJEE C=CCCCC[C@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 1206270159 KAWKRODQGWWDAL-LSDHHAIUSA-N 289.419 4.510 30 10 CJEE C=CCCC(C)(C)CNC[C@@H](C)c1ccc(C)cc1 1207082563 FFGMUBNWYJCTOW-MRXNPFEDSA-N 259.437 4.681 30 10 CJEE C=CCC1(CNC(=O)c2ccccc2C(C)(C)C)CCCC1 1272416682 DMWJMBWXIWKDRW-UHFFFAOYSA-N 299.458 4.850 30 10 CJEE C=CC(C)(C)C(=O)N(C)Cc1ccccc1-c1ccccc1 1357437517 GJRNQLHUISRAAK-UHFFFAOYSA-N 293.410 4.524 30 10 CJEE C=CCN(CC1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1 1459477314 CLWRKJOWOAYVBI-RTBURBONSA-N 287.422 4.750 30 10 CJEE C=CCCC[C@H](C)NC/C(C)=C\c1ccccc1COC 1461388545 FOLIBLDXMAEOTG-NOCRFKNCSA-N 287.447 4.571 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)CSc1ccc(C)cc1 1462121459 XORWRCTUDRJEEG-HZPDHXFCSA-N 277.477 4.810 30 10 CJEE C=CCC1(CN[C@@H](CC)CCC(F)(F)F)CCCC1 1462232172 ODUPYONSVLBJSB-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE C#CCCCCCCNC1CCC(C2CCC2)CC1 1462454515 SMPTXCKPRUDFHV-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCC[C@@H](Nc1nc(CCC)ns1)c1ccccc1 1472736628 UTDQEVOQPPIZOL-CQSZACIVSA-N 287.432 4.610 30 10 CJEE C=CCCC[C@H](Nc1ncc(Cl)cn1)c1ccccc1 1472865893 MCQMAOQOPYHMJD-HNNXBMFYSA-N 287.794 4.640 30 10 CJEE C#CCN(Cc1ccccc1)[C@H](CC)c1ccc(F)cc1F 1473455209 XVSGWCLBMFXQEV-LJQANCHMSA-N 299.364 4.551 30 10 CJEE C=C(C)c1cccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 1477187928 YRYWIHVLOPVDFP-UWWQBHOKSA-N 298.430 4.905 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1526461989 COJPLMMZHUZTTF-KUHUBIRLSA-N 286.415 4.772 30 10 CJEE C=C[C@H](CC)CC(=O)N1c2ccccc2CC[C@@H]1C(C)C 1536487765 PAHWZGXFDLIMCU-NVXWUHKLSA-N 285.431 4.593 30 10 CJEE C=CC[C@H](CC)NC(=O)c1sccc1-c1ccc(C)cc1 1538548436 UNLKBVQVNNBXIN-HNNXBMFYSA-N 299.439 4.808 30 10 CJEE C=CCC(CC=C)C(=O)N1CC[C@H](c2ccccc2)C1(C)C 1584127895 ARXYKWXMDHLJPU-GOSISDBHSA-N 297.442 4.550 30 10 CJEE C=C[C@H](OC(=O)c1cc2c(s1)CCCC2)c1ccccc1 1586194354 ICDXKTBPPDXCBV-HNNXBMFYSA-N 298.407 4.711 30 10 CJEE C=C(C)CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 1615219847 RQFKLSPNKDBPAW-UHFFFAOYSA-N 284.230 4.924 30 10 CJEE C=CCN(Cc1ccc2[nH]ccc2c1)CC1CCCCC1 1621193657 ONWSSLJMYVKJFK-UHFFFAOYSA-N 282.431 4.736 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@@H](CC)C(C)(C)C 1625512502 IIWCSCTWKMTTQE-CQSZACIVSA-N 267.457 4.557 30 10 CJEE C=CCCCCSc1nc(C)c(-c2ccccc2)[nH]1 1643868363 ITIDJBVZLNIDHM-UHFFFAOYSA-N 272.417 4.834 30 10 CJEE CC#CCN(Cc1ccccc1Cl)c1ccc(F)cc1 1645003778 FJFSYQKUOFVLGM-UHFFFAOYSA-N 287.765 4.509 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1/C=C\c1ccccc1 1656315723 URMXTZLYQINHHW-CNNWTFKKSA-N 281.443 4.748 30 10 CJEE C=CCC1(NCc2ccc(C3CCCC3)cc2)CCOCC1 1658248978 YELFRWGMQRWIQB-UHFFFAOYSA-N 299.458 4.559 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OCCC)c(OC)c2)C1 1665391719 LOLYVAJPEFHRTE-CABCVRRESA-N 289.419 4.641 30 10 CJEE C=CCCCCNC(=O)N[C@@H](C)c1cccc2ccccc12 1666722666 HSEJKQHNYRUHMF-HNNXBMFYSA-N 296.414 4.556 30 10 CJEE CCCCCCCCNC(=O)c1cccc(C(C)C)c1O 1866174221 LLRSZINVSUSPNA-UHFFFAOYSA-N 291.435 4.606 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@]1(C)CCCOC1 1877732232 NLCVJLFCVYTYNM-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CC#CCCC[C@]1(O)CCCC[C@H]1C1CCCCC1 1879648214 UMUMLKVLNISUMH-ROUUACIJSA-N 262.437 4.682 30 10 CJEE C=C1CC(CN(Cc2ccccc2)Cc2cccs2)C1 1882379594 KILXAJDBVMVJMA-UHFFFAOYSA-N 283.440 4.717 30 10 CJEE CCCCCCCCCN1CCC[C@H](OCCC)C1 1883424934 AJSGBXVJWOHZCO-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C#CC[C@H](C)C[C@H](O)[C@H]1CC[C@H](CCCCC)CC1 1887103672 SFTKRBUACDINPW-XSLAGTTESA-N 264.453 4.784 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(F)cc(Cl)c1 1887451399 DSJFBIVZHKWEIH-MLGOLLRUSA-N 281.802 4.569 30 10 CJEE C#CC[C@@H](C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCC 1887464330 MIJLUEQPCRWRNS-DOMZBBRYSA-N 298.257 4.564 30 10 CJEE CCCCCCC[C@@H]1NCCC[C@@H]1[C@@H](F)C(F)(F)F 1909084700 ANVCCYRNDPXRPU-RWMBFGLXSA-N 283.353 4.616 30 10 CJEE CCCCCCCC[S@](=N)(=O)c1cccc(C)c1 1917925371 SRWOTPDIPGXZIE-SFHVURJKSA-N 267.438 4.761 30 10 CJEE CCCCCCC[C@](C)(N)c1c(F)ccc(C)c1F 1919526554 SYIDZSREKQTNRN-INIZCTEOSA-N 269.379 4.808 30 10 CJEE CC[C@@](C)(C#N)[C@H](O)c1ccc(-c2ccc(F)cc2)s1 1921079527 KXLZVNDYHWLIRV-CVEARBPZSA-N 289.375 4.527 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@@H](CC)C1)[Si](C)(C)C 1922962040 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1975931301 GNKNBNFJPABCIA-ZANVPECISA-N 258.192 4.596 30 10 CJEE C=CCCCCCC[C@@H](N)c1csc(Cl)c1 1995168678 HGDNLRJNOHEEKU-GFCCVEGCSA-N 257.830 4.928 30 10 CJEE C=C1C[C@@H]1COc1ccc2cc(Br)ccc2c1 1996752943 PSFGFLHHVXEVPV-CYBMUJFWSA-N 289.172 4.557 30 10 CJEE CC#CCCCCC(=O)c1cc2sccc2s1 2019540177 CAXBAIRHQOVOLL-UHFFFAOYSA-N 262.399 4.729 30 10 CJEE C=CCCCCC[C@@](C)(O)c1ccccc1Cl 2019783634 MLYQJOPTSDVRPO-OAHLLOKOSA-N 252.785 4.684 30 10 CJEE C#CC[C@@H](C)C[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2020074098 ILUSCKKLFNACKJ-LDYMZIIASA-N 290.621 4.696 30 10 CJEE C=CCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2024455073 CEMYPMJRNBNKLJ-CQSZACIVSA-N 272.219 4.610 30 10 CJEE C=C(C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 2027879554 GWWDGVDHXRUBJW-UHFFFAOYSA-N 289.162 4.670 30 10 CJEE C=CC[C@@H](CCSC1CCCCC1)CNC(C)C 2031794407 XIXLEAQNCUYYHK-HNNXBMFYSA-N 269.498 4.633 30 10 CJEE CN(Cc1cc(Cl)cs1)c1ccc(Cl)cc1C#N 2032997915 XPAIFQSGIAHOON-UHFFFAOYSA-N 297.210 4.563 30 10 CJEE CC(C)C[C@H](C)[C@@H](C)Nc1cccc(Cl)c1C#N 2036383038 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C=CCC(CC=C)[C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2338743948 KIRHVCNRDOODGH-XSLAGTTESA-N 262.437 4.722 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(F)cc1C1CC1 2339147988 PCAJKFDVCYWCHM-QGZVFWFLSA-N 261.384 4.839 30 10 CJEE C=CC[C@H](CC(C)(C)Cc1ccccc1)NCCC 2339492829 SOHADXFAUFAQHH-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(SC)s1 2339548523 ZUJOKPKABMDNRY-STQMWFEESA-N 293.501 4.560 30 10 CJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cccc(Cl)c1Cl 2339570259 VMTLUZYOTREGAP-RISCZKNCSA-N 296.241 4.694 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)[C@@H](C)C(C)C)CC1 2340267846 MWIKYRYWIHMPSX-SOEBMCCKSA-N 265.441 4.530 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccnc1C(C)C 2342170864 YISAQLAFCXWLRV-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C#Cc1c(F)cc(N[C@@H](CC)c2ccsc2)cc1F 2344199249 WWFDOPUUNPNSRX-HNNXBMFYSA-N 277.339 4.571 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]12CCCC[C@@H]1CC2)NCC 2344339096 GDSVYOCQGXUFOS-RYRKJORJSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CCc1ccc(Cl)cc1)NCCC 2344339612 KQHQQLAZHNISDX-YOEHRIQHSA-N 279.855 4.853 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@H]1C(F)F)NCC 2344382450 GBWOMALFRFQSMG-MCIONIFRSA-N 273.411 4.638 30 10 CJEE CSc1cc(NCCC(C)(C)C2CC2)ccc1C#N 2353835059 QKYSMRHJWKDZGU-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCC2(CC2)[C@@H]1NCC 2360325176 VUWXMYLAADHYLG-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc2c3c(cccc13)CC2 33691416 VGMFTKFGXPRPEP-ZROIWOOFSA-N 284.358 4.835 30 10 CJEE Cc1cccc(Oc2c(C#N)cnc3ccccc23)c1C 36913417 ICQIJDZCENRJAR-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCC[C@@H](Nc1ccccc1C#N)c1ccccc1 37203033 SBEBEYPEQIZERB-QGZVFWFLSA-N 264.372 4.902 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2C)C1 37665775 IVUFKQJRXRGHSA-SQWLQELKSA-N 259.418 4.806 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2ccccc2F)cc1 41385513 CRQWLHVVJGKPKV-QGZVFWFLSA-N 267.347 4.799 30 10 CJEE CCCCCCCCN[C@H](C)c1ccccc1OC 59055540 NPUSJVPEUAADQC-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](C)N)cc1 59088183 NPISRSPATCKZGV-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(OC)c(OC)c1 59284931 BUDLORSHJVWKCD-INIZCTEOSA-N 293.451 4.715 30 10 CJEE CCc1cc(-c2cc(CC#N)c(C(C)(C)C)o2)ccc1OC 77085369 CGJAELIDHRLRJD-UHFFFAOYSA-N 297.398 4.881 30 10 CJEE N#CC1(c2ccc(F)cc2Cl)CC2(CCCCC2)C1 86537857 MCMZWGIDVZCXPJ-UHFFFAOYSA-N 277.770 4.985 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 87996982 ORPNZUJIJYSAPE-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CCCCCN(CC(CC)(CC)CS)C(C)C 94580884 PJDJAJNSMWDMRB-UHFFFAOYSA-N 259.503 4.623 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(Cl)c1F 97208821 QZTZIHQFTRNSCX-CQSZACIVSA-N 269.791 4.876 30 10 CJEE COc1ccc(/N=C(\C)c2ccc(C(F)(F)F)cc2)cc1 100408992 NFFJBPZOQXLZAQ-RGVLZGJSSA-N 293.288 4.855 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccncc1 109722132 RMBMSWAQARDAJW-KRWDZBQOSA-N 262.441 4.873 30 10 CJEE CCCCCCCCO[C@@H](c1ccsc1)[C@@H](N)CC 109988911 DGOKNSLJEIEWAS-HOTGVXAUSA-N 283.481 4.904 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 110028909 OAJFKTVYWNWROI-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCCOc1ccc(OC)cc1CN 110091195 UFMXTAPXQDBAPO-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE CCCCCCCCCC[C@H](CC)CNCCOC 110213283 YCILLYZYNZCKAW-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE CCCCCCCCC[C@@H](O)C1(N2CCCC2)CCCC1 118176890 PKUBYQFACYQAJE-GOSISDBHSA-N 295.511 4.897 30 10 CJEE CCCCCCCCCn1ccc([C@@H](C)NCC)c1 118239867 XMTKWEYUTXYQRW-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CCCCCCCCO[C@H]1CCCC(C)(C)[C@H]1NCC 122997443 KUKUHARVZPSBFH-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)O)cc1C 123334540 ROJGTIZMSWQCCZ-OAHLLOKOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCCCNc1cccc(C#N)c1N 125706444 ZYMMGPTVCZCRTR-UHFFFAOYSA-N 273.424 4.693 30 10 CJEE CCCCC[C@H](C)Nc1cccc(SC)c1C#N 127016295 OYXMQGBTNURUMT-LBPRGKRZSA-N 262.422 4.661 30 10 CJEE CC(C)(C)c1ccc(Sc2ccc(N)c(C#N)c2)cc1 127770086 PXTIYAXAFCICJQ-UHFFFAOYSA-N 282.412 4.589 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H](OC)C1CC1 130894440 DZPRAMVIFXLCEK-MSOLQXFVSA-N 298.515 4.554 30 10 CJEE CCC1CCC(N(C)c2cccc(SC)c2C#N)CC1 136637462 PUMXTAAWMXKVID-UHFFFAOYSA-N 288.460 4.685 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)C 156196669 DYHYJSCLLMRMMO-IXDOHACOSA-N 251.458 4.639 30 10 CJEE CCSCC[C@H](C)Nc1cccc(SCC)c1C#N 160239590 HXWOXHHZYJAWDZ-LBPRGKRZSA-N 294.489 4.614 30 10 CJEE CCCCCCC[C@H](O)[C@]1(OCC)CCC[C@H](C)C1 162621915 AFYNMNTVYJVCGA-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@@H]1c1ccccc1 168351256 HJNIKDLZVSBSTA-KURKYZTESA-N 260.421 4.902 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC 189875528 PWQLNCGRTSZELH-CYBMUJFWSA-N 259.393 4.523 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2cc(Cl)ccc2C)cc1C 211930806 ITPDMZPPHHNUGU-KRWDZBQOSA-N 297.785 4.755 30 10 CJEE CN(Cc1ccccc1)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 213049942 CLZGLCWDVJTNFG-IBGZPJMESA-N 292.426 4.681 30 10 CJEE CCCC(C#N)(CCC)c1cccc(Cl)c1F 213796789 JHDULSUGEMGCKL-UHFFFAOYSA-N 253.748 4.841 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2cccc(Cl)c2Cl)C1 228941141 YQPVHZQOAIOIKR-IINYFYTJSA-N 268.187 4.866 30 10 CJEE C=C(C)C[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 229740041 LSXQYUMNMAGIGX-AWDGRILASA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCNc1cc(C)ncc1OC 232919712 AOQAKHBUAQQXSG-UHFFFAOYSA-N 278.440 4.951 30 10 CJEE CCCCCCCCC[C@H](C#N)NC1CCCC1 232929326 XNNWTJWXTJALKJ-MRXNPFEDSA-N 250.430 4.551 30 10 CJEE CCC[C@H](C)[C@H](C#N)Sc1ccccc1Br 233341539 BLQQUJIYHQSVEA-GWCFXTLKSA-N 298.249 4.870 30 10 CJEE C=CCCCCC[C@@H](CCOc1ccccc1)NCC 233535887 QMWSSJWONSHULA-KRWDZBQOSA-N 275.436 4.570 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C)cc1Cl 233557920 MZNMUQZEBFOYER-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CC[C@H](C)CSc1ccc(C#N)c(C(F)(F)F)c1 234033259 KSEBFJMSOZTUHE-VIFPVBQESA-N 273.323 4.715 30 10 CJEE C=CCCCCC[C@H](NC)C1CCC(F)(F)CC1 234420510 ZACHPZIKRMCHEA-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCCc2sccc21 234452074 DIZUPYAAIWJWIG-GDBMZVCRSA-N 277.477 4.893 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c2ccccc12 235239598 VBBJHDPFIQBHFR-DYVFJYSZSA-N 264.372 4.702 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Br)c(C)c1 235750023 DFTJUBUQYIHPMV-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)NC[C@H]1CC 250831074 REBHGWGPEWJZKP-RTBURBONSA-N 296.543 4.980 30 10 CJEE CC[C@@H]1O[C@H]1C[C@H](C)c1cccc(Cl)c1Cl 251801390 YFJOZLCNHSLFJC-UWJYBYFXSA-N 259.176 4.664 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H]3CCCC[C@H]3C2)C1 252371752 DAULLYFNPJHRAU-MTHXSQLBSA-N 288.479 4.607 30 10 CJEE CCCCC(=NO)C(=NO)c1ccc(C2CCCC2)cc1 254568865 LSRPTKDACRJQHO-UHFFFAOYSA-N 288.391 4.543 30 10 CJEE C[C@](C#N)(Cc1cccs1)c1ccc(C2CC2)cc1 259499483 JGEOQYHBSBLSEO-QGZVFWFLSA-N 267.397 4.649 30 10 CJEE C[C@@](C#N)(Cc1cccs1)c1cccc2ccccc12 259580162 OUSFRXQJEYGQDF-SFHVURJKSA-N 277.392 4.925 30 10 CJEE Cc1ccc2c(CC(C)(C)C#N)cn(C(C)C)c2c1 260042062 BXTQESDLAORITG-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE Cc1cccc2c1CC[C@@H](CC#N)C21CCCCC1 260596119 MRGRQMATMRVISG-HNNXBMFYSA-N 253.389 4.673 30 10 CJEE C=C(CC)CN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 313502334 RYVSMTXLZWHKPT-BPQIPLTHSA-N 257.421 4.515 30 10 CJEE Cc1cc(C)c(C[C@@]2(C=O)CCCC[C@H]2C)c(C)c1 316690228 YTRSEVPQZBUXCW-SJLPKXTDSA-N 258.405 4.550 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(C)cc2Cl)C1 316783633 WAJHGDCFEMQMQE-CZUORRHYSA-N 264.796 4.586 30 10 CJEE CCCC[C@H](CC)C[C@]1(C=O)CCc2ccccc2C1 317038934 VXWNIHUSJMRMHK-QFBILLFUSA-N 272.432 4.967 30 10 CJEE CCCCCCCCC[C@@H](CNC(C)C)OCC 319971550 QZQFQOMDOKGBPK-INIZCTEOSA-N 257.462 4.530 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC2(F)F)CCCc2ccccc21 382022087 AVHYHCDXJXZRMC-HOCLYGCPSA-N 275.342 4.610 30 10 CJEE CCCCCCCCCCNCC(C)(C)C(C)(C)O 393643326 ASZSMZYCYQKVAT-UHFFFAOYSA-N 271.489 4.514 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(C)C[C@@H]1F 399743970 MNQOYKBUBNKYIA-HRCADAONSA-N 257.437 4.853 30 10 CJEE C=CCCCCC[C@H](NC)c1csc(C)c1C 399856987 NHFCGOQLCUYXFF-HNNXBMFYSA-N 251.439 4.762 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@](C)(C=O)c1ccccc1 405565748 VCWNFDWFCVZJBV-JSGCOSHPSA-N 272.310 4.512 30 10 CJEE N#C[C@@H]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 527393288 STZHIOAGMLOWTL-SNVBAGLBSA-N 256.736 4.528 30 10 CJEE C=CCC(CC=C)C(=O)Nc1c(F)cc(Cl)c(C)c1F 534928397 LJMVGVCFHTZDOQ-UHFFFAOYSA-N 299.748 4.634 30 10 CJEE C=CCC[C@H](Nc1cccc2c1OCCC2)c1ccco1 569497932 XEBJECMSMCOTOJ-HNNXBMFYSA-N 283.371 4.724 30 10 CJEE C=C[C@H](CC(=O)N[C@H](C)c1ccccc1C)c1ccccc1 677502945 DPLJVBJTRFPLFH-IAGOWNOFSA-N 293.410 4.532 30 10 CJEE C#CCCCCCC(=O)c1cc(Cl)ccc1Cl 686698212 YFWQXIZCSUCYOK-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 686709239 QZRRNMNKHQDQTE-CHWSQXEVSA-N 274.326 4.508 30 10 CJEE CC1(C)CC(=O)C=C(CC(C)(C)c2ccccc2)C1 686735344 ONWAQNBUKAJHJR-UHFFFAOYSA-N 256.389 4.670 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1/N=C1/NC2(CCCCC2)CCS1 687319703 GVNGHSHCPHOGSY-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CCC(=O)C1CC(C)(C)CC(C)(C)C1 688309060 RZPQORSTKBQZIV-UHFFFAOYSA-N 262.437 4.848 30 10 CJEE CCC[C@@](O)(CC)C1(C#N)CC(C)(C)CC(C)(C)C1 688314183 BKVLVGSMCAQLHV-KRWDZBQOSA-N 265.441 4.674 30 10 CJEE CC(C)C[C@@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688315850 NZVDBMDCRHHREV-MRXNPFEDSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 694987602 VIGIKSAIGOEUFK-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE CC1(C)CCC[C@H](Nc2c(F)cc(C#N)cc2F)CC1 697557599 NPFVENHGNVFHHV-LBPRGKRZSA-N 278.346 4.607 30 10 CJEE Cc1ccc(COc2cc(C)c(Cl)c(C)c2)cc1C#N 701879273 CRHVPQLKRPUCRI-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE C#C[C@H](N[C@H](C)c1cc(Cl)ccc1Cl)C(C)(C)C 702267868 UGHLVTBIJVUUMX-YGRLFVJLSA-N 284.230 4.692 30 10 CJEE CCC[C@H]1CCCN([C@@H]2C[C@H](CCC)CC[C@@H]2C#N)C1 708389950 SMLXKXFJNUHXPV-XMTFNYHQSA-N 276.468 4.607 30 10 CJEE Cc1cc(Nc2ccc(C3CCC3)cc2)ccc1C#N 709688269 HJWZCKOJZCZHJE-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C 710615087 FMZHCCHLELOOII-UBHSHLNASA-N 257.849 4.570 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)ccc1C 710634833 KAYJUIVRAUOGHP-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE C=CCCC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712537552 DGGJNWYALCRGNT-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE C=C(Cl)C[C@H](N)c1c(Cl)cccc1C(F)(F)F 712583474 ZFZIRKFETJNFGS-VIFPVBQESA-N 284.108 4.501 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(C#N)Nc1cccc(Cl)c1 713083112 PEYCAXHBFLTSEG-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C=CC[C@H](C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715739560 MJHQOGOVXOPPTB-KJMCLAQRSA-N 260.421 4.764 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Cl)cc1F 715795931 DXNTWETUAUILNJ-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716498890 VXOBVPAXZZUATE-SIRPWMCASA-N 251.458 4.617 30 10 CJEE C=CCCCCC[C@H](N)c1cscc1C(F)F 717194408 UBTNYYUUJWIGEW-LBPRGKRZSA-N 259.365 4.822 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc(C#N)cc1Cl 717556249 URTHAPVZASCPNH-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE CC(C)(C#N)CCCC[C@@]1(C(=O)O)CCC=CCCC1 719056557 KYKXPQHXXYSDHY-QGZVFWFLSA-N 277.408 4.688 30 10 CJEE C=C1CCC(COc2ccc(Cl)cc2[C@@H](C)O)CC1 724547606 QQQVUTICQIZQOH-GFCCVEGCSA-N 280.795 4.519 30 10 CJEE N#Cc1ccccc1Sc1ccc(C(F)(F)F)cc1 725393248 HIOGDMPRRUWDIL-UHFFFAOYSA-N 279.286 4.728 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCCCC(C)(C)C)c1 1125842239 CKADPHRWFCIVSN-UHFFFAOYSA-N 285.431 4.627 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H](C)c1ccc(Cl)s1 1133173566 LTXXUCJGHQEOCV-NSHDSACASA-N 299.867 4.614 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(C)nc2Cl)CCCC1(C)C 1169844723 POVPNGWNPPSAAM-HNNXBMFYSA-N 292.854 4.610 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1OCc2ccccc21 1184336533 AGPSUYCXCVGHNF-MAUKXSAKSA-N 275.436 4.597 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2F)C1 1195947622 VWGWKSAFOOKXQD-STQMWFEESA-N 281.802 4.828 30 10 CJEE C=CCCCC[C@H](C)Nc1ncccc1CSCC 1207283020 LKVWBKGZRPMEOV-AWEZNQCLSA-N 278.465 4.882 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)c(C)cc1Cl 1266481906 JVOUNXNOSIBOFM-JTQLQIEISA-N 286.202 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC1CCCCC1 1278999776 WUDFZNKORYOCJV-CGTJXYLNSA-N 291.479 4.844 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(CCC)s1 1308434609 PHHCPTDUZCZKQL-KRWDZBQOSA-N 299.483 4.978 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 1308818388 GRKHJPFMWAQBOJ-LUKYLMHMSA-N 251.458 4.926 30 10 CJEE C=CCCC[C@@H](C(=O)OC1CCCC1)c1ccccc1 1348330582 RPIZZPNYXKUOGV-QGZVFWFLSA-N 272.388 4.612 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 1360766399 RPZGOTDOUODMOX-OAHLLOKOSA-N 289.419 4.634 30 10 CJEE C=CCCC[C@H](NC(=O)/C(C)=C/CC)c1ccccc1 1438918178 GYXQBGGNFXNLAX-JMPLCFMRSA-N 271.404 4.557 30 10 CJEE CC#CCCS[C@H](C)c1ccc(OC(F)(F)F)cc1 1458923855 SXRJEDMRRYVGEQ-LLVKDONJSA-N 288.334 4.793 30 10 CJEE C=CCN(Cc1c(Cl)cccc1OCC)C(C)(C)C 1460451025 NTSJUISPYRFVDK-UHFFFAOYSA-N 281.827 4.525 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(Cl)c(C)c2Cl)C1 1462464455 YSLRNLXNNNMYIC-LBPRGKRZSA-N 284.230 4.700 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2ccccc2Cl)C1 1473627169 FNMOTGFRLWTZEL-KBPBESRZSA-N 263.812 4.689 30 10 CJEE C=CCCCCCN1CCCSC[C@H]1c1ccccc1 1473759303 CLJMQXWESZREMJ-SFHVURJKSA-N 289.488 4.913 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(OC(C)C)c(OC)c2)C1 1474422103 QEVLUIQTRSKNBK-CABCVRRESA-N 289.419 4.639 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 1518344778 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269.498 4.729 30 10 CJEE Cc1sc(CN(C)CCCCCCS)c(C)c1C 2221280300 DIFGDYVBLCVMMN-UHFFFAOYSA-N 285.522 4.595 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(C)c(N)cc1Cl 2223219375 NRJALELYLAWLTQ-LBPRGKRZSA-N 267.800 4.744 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CC(C)=O 2223235149 RCHLDALSRNVEMX-INIZCTEOSA-N 256.430 4.901 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H]1CCC(F)(F)C1 2223832231 OPRGWMINTOLWJL-UONOGXRCSA-N 262.384 4.923 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(F)c(Cl)c1)NCCC 2225121644 PAQXSQHFLYIQCO-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE C#CCC1(NCCCCCCC2CC2)CCCCC1 2225782775 MUMZWMFCAOVVBY-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CCC[C@H](C)O1 2226838768 CSZWNQWTGVOWCE-YESZJQIVSA-N 268.441 4.612 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](C)CCOC 2227286901 NZISSWRPBVRWBO-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@H]1C(F)(F)F 2227291502 RLKULFYXUPQKGT-KBPBESRZSA-N 277.374 4.643 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)c1ccc(Cl)cc1F 2230501487 IRDJMZLFJKWLOA-GFCCVEGCSA-N 281.802 4.569 30 10 CJEE C=CC[C@H](CCCc1ccccc1)CN[C@H](C)CC 2231576101 YYRKTQLIDRZJCI-SJLPKXTDSA-N 259.437 4.590 30 10 CJEE C=CCCCC[C@@H](NC)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233659155 ZHBYEGRCKGNKON-QKPAOTATSA-N 285.422 4.782 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc2ccccc2o1 2233782944 RCKOKWVILCBRCI-OAHLLOKOSA-N 269.388 4.523 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H](CC)c1ccccc1 2233790112 ICKANVVMMPCFFB-ZWKOTPCHSA-N 271.448 4.598 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1cccc(OC)c1 2235768059 BXNDFOIJQHESHA-FQEVSTJZSA-N 295.448 4.627 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(Cl)c(OC)c2)c1 2235872237 ZAAJGDMSYFCDFM-LBPRGKRZSA-N 285.774 4.503 30 10 CJEE CCCCCCC[C@@H](O)C(=O)CC1(C)CC2(CCC2)C1 2236601739 PWKPLNKPQLQFLL-OAHLLOKOSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)ccc(OC)c1F 2237523818 OMSAILHALBKJRT-CYBMUJFWSA-N 285.378 4.724 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](N)c1ccc(F)cc1Cl 2239488744 BYUPBYMLTSTSJE-XJKSGUPXSA-N 299.817 4.630 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)C(=O)c2ccsc2)cc1 2240165330 QSPZRLAHFTVIAC-HNNXBMFYSA-N 283.396 4.536 30 10 CJEE C=C(CC)COc1c(C)cc(CN[C@H](C)CC)cc1C 2240216577 USGNTDCWBUEXQD-MRXNPFEDSA-N 275.436 4.537 30 10 CJEE CCCCCCCC[C@]1(C)CC(=O)c2ncccc2O1 2240561812 BMFXKKCJYJRTEE-QGZVFWFLSA-N 275.392 4.556 30 10 CJEE CCCCCCCC[C@](C)(O)c1nccc(C(C)C)n1 2240629585 VFGTWWSOIAVBHI-KRWDZBQOSA-N 278.440 4.558 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 2240657301 LFBCAZSFUGZNGO-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC(Cl)=CCl)CC1 2246225563 DCEMOCYGAZZMDT-ZDUSSCGKSA-N 263.208 4.871 30 10 CJEE CCCCN(CCCCCCCS)C1CCC1 2252645670 AIPPVJXUGQKNCJ-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE CCC(CC)CCN(C)CCCCCCCS 2252653219 LFZYCIYEDFHFJE-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE CCCCCCCCCCN1C[C@@H]2C[C@H]2C1(C)C 2257129295 WUYABXKUAADPBV-JKSUJKDBSA-N 251.458 4.857 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2258567194 ZGYCUPSDNVEKQU-IAQYHMDHSA-N 284.230 4.919 30 10 CJEE C=CCCCCCCCSC[C@@H](C#N)C(F)(F)F 2259063143 YAGKHUNOOOWOKQ-GFCCVEGCSA-N 279.371 4.948 30 10 CJEE C=C(C)CCCC[C@H](N)c1cnc(C(C)(C)C)s1 2259195380 SEQLKIGFICQMHV-LBPRGKRZSA-N 266.454 4.577 30 10 CJEE C=CCCC[C@@H](N)CCC12CC3CC(CC(C3)C1)C2 2265126957 NFCRPULDSWOZHE-AWDGRILASA-N 261.453 4.667 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CC(F)(F)C12CCC2 2266153044 QIXIIQYLTVRVBB-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(OC)ccc1Cl 2268103521 NCNDKXUSTUZKKV-INIZCTEOSA-N 281.827 4.746 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc(CCC)cc1 2268242033 JVLBSAIJDDAMAQ-SFHVURJKSA-N 260.421 4.967 30 10 CJEE C[C@@H](CC=CC#CC(C)(C)C)[C@H](C)CNC(C)(C)C 2268736213 RDUUNQFZHATHQG-JKSUJKDBSA-N 263.469 4.643 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)CC1CCCCC1 2268743246 QPUMBZMNTWJMSR-SFHVURJKSA-N 261.453 4.670 30 10 CJEE CCCCCCCCCCC(=O)C[C@H](C)C(C)(C)N 2271237195 FCLUSWXXHBUMGF-HNNXBMFYSA-N 269.473 4.850 30 10 CJEE C=CCCCCCCCSc1ccnc(C(C)=O)c1 2271492114 MUFZXMNKDIWFLF-UHFFFAOYSA-N 277.433 4.903 30 10 CJEE C=C(C)CCCC[C@H]1CCCc2ccccc2[C@H]1N 2271790929 JMPXTBWYGXWBSJ-WMZOPIPTSA-N 257.421 4.775 30 10 CJEE C=C(C)CCCCN(C)[C@@H]1CCC[C@H](P(C)(C)=O)C1 2271838397 FWOZPZHJLGVVRH-CVEARBPZSA-N 285.412 4.599 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1CCCCCC1(F)F 2271840520 CQTMGACMSQMZPR-HNNXBMFYSA-N 273.411 4.880 30 10 CJEE C=CCCCCCCCNC1(C(F)(F)F)CC=CC1 2272249859 OXMXYVKFEMQVSF-UHFFFAOYSA-N 275.358 4.754 30 10 CJEE CC(C)CCC[C@H](C)CCO[C@H]1CCCCC1=NO 2272260174 IMDOGAUFYBOTJU-HOCLYGCPSA-N 269.429 4.628 30 10 CJEE C=CC1(C[C@H]2[C@H](NC)C(C)(C)CCC2(C)C)CCC1 2274529341 LJXXDYQBBDNGTM-GJZGRUSLSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1ccsc1C 2276490002 FBPDRWXYNAXTOI-INIZCTEOSA-N 283.481 4.608 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC[C@H](C)C1 2276754931 KNMNYWZMVWTBFC-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCC[C@H](C)CC1 2276760732 DRUWEXIIFYNOPA-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@]1(C)NCC2(CCCC2)O1 2278124327 ILKVIRXTQKHZOW-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](O)c1csc(C2CC2)c1 2283065039 YQTZVWAHLJZWGC-WBVHZDCISA-N 295.492 4.607 30 10 CJEE C=CCCCCCCCSCC[C@@H]1CCC[C@]1(N)C#N 2287094561 QNDRGFBZQHIFNF-IRXDYDNUSA-N 294.508 4.657 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)cc1C 2289715620 CKRMAXPIOFNTDN-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCCCCCCC[C@H](C#CC1CCCCC1)NN 2289759007 ALTODBXIQGGEPR-GOSISDBHSA-N 278.484 4.543 30 10 CJEE O=C(CC#CC1CCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 2289905448 SIDOFGNUENGBHJ-UONOGXRCSA-N 286.337 4.508 30 10 CJEE C=C(C)CCCC[C@@](CC)(C[C@H](C)CC)OCC(=O)O 2291731605 XNLVSXDYIUCFTF-WBVHZDCISA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@](C)(CCC=C)OCC(=O)O 2291812679 ZTNBKWZIZVRJSQ-QGZVFWFLSA-N 282.424 4.729 30 10 CJEE CC=C(CC)[C@@H](CCCCCCCCC)OCC(=O)O 2292380597 IECLLLJXGJAWLA-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1C[C@@H]2CC[C@@H]2C1 2293648158 UDGSPKOIQADJFZ-VSZNYVQBSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(Cl)c1)OCCN 2293795518 GGCBUKNKIZSPFM-KRWDZBQOSA-N 297.870 4.587 30 10 CJEE O=C(C1=CCCCCC1)c1ccc2ccc(Cl)cc2n1 2295027320 QMINSPAXXYETCX-UHFFFAOYSA-N 285.774 4.961 30 10 CJEE C[C@@H]1CC[C@](C)([C@H](O)C#Cc2ccccc2Cl)C1(C)C 2295216604 KJRYHSDJIKHTAV-MZMPZRCHSA-N 290.834 4.515 30 10 CJEE C=C1CCC(C[C@H](NC)c2nc3ccccc3s2)CC1 2295385308 JLPZNXYIFOXHFT-HNNXBMFYSA-N 286.444 4.693 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C(C)(C)CC 2295677967 FKWDKJRDNSVPBV-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE C=CCN(C)CCCCCCCCCCCNCCC 2296283055 BWPACBSLRUERGI-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE C=CC[C@H](C)Sc1nc(Cl)nc2sc(C)cc12 2298887823 CXLSHOSZZHSHQK-ZETCQYMHSA-N 284.837 4.710 30 10 CJEE CCCCCCCC[C@]1(C)C[C@H](N)C[C@H](C)S1 2298946081 DVUSPUULAQCHRN-RRFJBIMHSA-N 257.487 4.739 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(F)c(Cl)c1 2304128773 PGKKOVRFOOVUGO-UONOGXRCSA-N 256.748 4.505 30 10 CJEE C=C([C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1)C(C)(C)C 2311499874 NBNQTIRCDGGGRI-ARFHVFGLSA-N 250.426 4.556 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccsc1C#N 2313618666 LKYLWLIWSZHULW-UHFFFAOYSA-N 265.422 4.597 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(CC)(CC)CC[C@H]1NC 2313644558 JECYTLKUFPAIAN-RRFJBIMHSA-N 269.498 4.631 30 10 CJEE C=CCCCCCCC[C@H](N)C[C@@H]1CCC1(F)F 2313731738 MSOIMFJAKDESBI-KBPBESRZSA-N 259.384 4.666 30 10 CJEE C#CCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318350499 ANJZOYJVQYNSOK-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]2C[C@H]12 2319735872 ZYYWTTOSGLOANG-YVSFHVDLSA-N 251.458 4.904 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COCC1(CS)CCCC1 2320148424 GALYPSRCYNGHIN-UONOGXRCSA-N 270.482 4.566 30 10 CJEE C=CCCCCCCNC[C@@H]1CC[C@H]1C(C)(C)C 2320162564 JGZWFZHYRPLBLY-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1[C@H](C)[C@H]1C)NCCC 2321100730 DNWKCZLDTXQNKQ-JHNDHUHGSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(C)c1Cl 2321132215 XIOXHIFPEQSDJF-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc2cc(Cl)ccc2o1 2321145190 NTTRREYMKVYXPX-BONVTDFDSA-N 263.768 4.559 30 10 CJEE CCC1=CC[C@H](Cc2cc(F)c(Cl)cc2Cl)C1=O 2325192980 NVURSTHMGRBGPC-SECBINFHSA-N 287.161 4.600 30 10 CJEE CCCCCCCC[C@](C)(SCC(C)C)C(=O)O 2327002855 QTGSHEXNHHMQJH-HNNXBMFYSA-N 274.470 4.970 30 10 CJEE CCCCCCCCN(C)C[C@H](CS)CC(C)C 2328531700 AKFJTGHLGIJSAF-MRXNPFEDSA-N 273.530 4.871 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329723959 KHRPHXUKNONAMW-MJBXVCDLSA-N 268.347 4.518 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2332266088 HAVLTCYSVUYIKM-NNPSNHGLSA-N 264.453 4.924 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCC12CCC2 2334489066 PVMGDGCVZQHCDF-ZENOOKHLSA-N 267.363 4.922 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(C)c(C)c1 2335097369 WXTIOSAQOSFGIM-KRWDZBQOSA-N 275.461 4.557 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@H](NC)c1ccccc1 2335101514 VQCAHFKKDJJRTD-PBHICJAKSA-N 275.461 4.590 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccc(CC)cc1 2335199864 GRHGYXHWGGMOGV-QGZVFWFLSA-N 275.461 4.503 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1cnc(C(C)(F)F)s1 2335679014 HXLZYGHRRFVLRI-AWEZNQCLSA-N 289.391 4.583 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)COCC1(C)C 2336106770 UVODDDZHHVBHDO-RDJZCZTQSA-N 265.441 4.795 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(F)nc1C 2340090820 QWMBJWRVEANUGS-OAHLLOKOSA-N 267.388 4.703 30 10 CJEE N#Cc1cc(NCCCC2=CCCCC2)ccc1Cl 2341090979 JBAUAXTUWTVIJB-UHFFFAOYSA-N 274.795 4.904 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C)cc1SC 2342327751 DQBNRCVHLZBDJX-YOEHRIQHSA-N 277.477 4.970 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1cccc(C(F)F)c1 2344475252 UMARLKNZKNEYTC-GDBMZVCRSA-N 268.347 4.520 30 10 CJEE CCC[C@@H](CC)C[C@]1(C#N)CCc2ccccc2C1 2353531775 PXZAWRPXCQOXEI-CRAIPNDOSA-N 255.405 4.902 30 10 CJEE CSc1cc(N[C@@H]2CCCC(C)(C)C2)ccc1C#N 2353830472 LQRVRMZPIRVGDE-CQSZACIVSA-N 274.433 4.661 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C1CC1 2360148957 VZZJUXZOZRXTRC-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C)c2ccccc2[C@H]1NCC 2360207673 JVDCWNVSZSUUMG-LBTBCDHLSA-N 289.488 4.911 30 10 CJEE C=CCC(CC=C)Oc1cc(CN[C@@H](C)CC)sc1C 2360214066 DBEXOFPOXWCJMN-ZDUSSCGKSA-N 293.476 4.844 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)NCCC)nc1 2360369273 UZWHVWNJIGSYBT-CQSZACIVSA-N 290.476 4.755 30 10 CJEE Cc1ccc(/N=C/c2ccccc2Br)cc1 3106549 IUVBNUMDHZBMLR-MHWRWJLKSA-N 274.161 4.508 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(CC#N)cc2)cc1C 37071353 PYASLUWKDVNGNC-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE Cc1ccc(C#N)cc1-c1ccc(C(F)(F)F)cc1 49848653 ILUPGGIPWPOELR-UHFFFAOYSA-N 261.246 4.553 30 10 CJEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1cccs1 52902420 KXMUQQZROWMBQC-VIFPVBQESA-N 296.178 4.545 30 10 CJEE C[C@H]1CCC[C@@]2(CS/C(=N\c3ccc(Cl)cc3)N2)C1 53099199 DQTNBKXGCNCXHM-NHYWBVRUSA-N 294.851 4.613 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 54185540 OXCXNXXRTHUOPM-JTNHKYCSSA-N 265.809 4.760 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2F)c(C)c1 57686668 JRWQQSZILJZHKX-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE Cc1cccc(C)c1OCCC[C@@H](C#N)c1cccc(F)c1 57688501 MZVWTUJYHCVNTC-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE CCCCn1nc(C#N)cc1-c1ccc(Cl)cc1Cl 76844183 UGWNIPZYRLSCIX-UHFFFAOYSA-N 294.185 4.529 30 10 CJEE CC(C)c1ccc(OCc2nc(C3CC3)c(C#N)s2)cc1 82435840 BHBOFWTWCJJMAW-UHFFFAOYSA-N 298.411 4.595 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(C)(C)C#N)cc2)CC1 86881285 POGLFVSHJZUKCS-ZBFHGGJFSA-N 270.420 4.868 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87930346 PPKSQFZCSKHVLH-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE SCC1(COc2ccc3c(c2)CCC3)CCCCCC1 94584154 FNQDDEVTTXFKBT-UHFFFAOYSA-N 290.472 4.825 30 10 CJEE CCCC(CS)(CCC)COc1cc(F)cc(F)c1 94585145 UQGFOGZAEHBMMP-UHFFFAOYSA-N 288.403 4.860 30 10 CJEE CCC[C@H](CS)CN(CCC(C)C)C1CCCC1 94853864 ILASLHIAMKPTEG-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1CCCc2sccc21 97284047 UILWIBJIDZIXFI-GDBMZVCRSA-N 277.477 4.893 30 10 CJEE CN(CCCCCCCCCS)C1CCCC1 97799205 QNIGIRXFTDYBCT-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE COc1ccc(N(C)CCCCCCCCCS)cc1 97799366 OQGVFTJHLDDSLU-UHFFFAOYSA-N 295.492 4.792 30 10 CJEE CCCCCCCNc1cc(OC)ccc1Cl 103987198 GQVCTDHKTOMSIV-UHFFFAOYSA-N 255.789 4.731 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1ccc(C)cc1 109779779 NKLKLBKTEWLXTD-KRWDZBQOSA-N 263.425 4.518 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1cccc(F)c1F 110254560 FITQJHBRDOXDPA-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCCOc1ccc(C)cc1CNC1CC1 111762066 HBZBSQCLFAUXLZ-UHFFFAOYSA-N 275.436 4.596 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2cnccc12 111849435 XNFRKFKPNAYQCS-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCC[C@@H](N)c1nccc2ccccc12 113828739 WBEARRFEHQSICK-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE CCCCCCCCN1CC2(CCCC2)NC[C@@H]1C(C)C 114068288 XFRKQAIPELXXDJ-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC[C@H](N)CSC(C)C 114862767 IZIWPPIEIBUUBO-HNNXBMFYSA-N 259.503 4.986 30 10 CJEE CCCCCCCCCCCc1nnc(CNC(C)C)o1 115861976 FKKPLGUANSPGIE-UHFFFAOYSA-N 295.471 4.641 30 10 CJEE CCCCCCCC[C@@]1(C#N)COc2ccccc2C1 116252131 FTHTVFUYXYHLSH-GOSISDBHSA-N 271.404 4.882 30 10 CJEE CCCCCCCC[C@H](CCN(CC)CC)NCCC 118214733 LTOXDFUJPLTYCR-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCCC[C@H](CC1CCOCC1)NN 122738972 ZVNKUYUTPIABHA-GOSISDBHSA-N 298.515 4.556 30 10 CJEE CCCCCCCCOc1cc([C@H](C)NCCC)ccn1 124738763 OWPYQKRGVKFHOT-INIZCTEOSA-N 292.467 4.882 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)CCO[C@H]1C 125188269 SJOADCWDPZGMMR-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CC(C)CCC[C@H](C)n1c(S)nc2c(C#N)cccc21 126016845 YYWRPKKRSTXDAB-LBPRGKRZSA-N 287.432 4.584 30 10 CJEE CCN(c1cccc(C)c1)c1cccc(SC)c1C#N 136631161 IBNDHOGMVFQTRN-UHFFFAOYSA-N 282.412 4.747 30 10 CJEE CCCCCCCCCO[C@H]1CCCCCC[C@H]1O 146301313 PEECMCOIZVJRRQ-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCNc1c(N)cccc1Cl 160768022 MEXWOUPEDKAPKM-UHFFFAOYSA-N 254.805 4.695 30 10 CJEE C[C@H]1CC[C@](C#N)(NC2CCCCCC2)c2ccccc21 163873374 UQJHMIWMHWRPQE-HNAYVOBHSA-N 282.431 4.615 30 10 CJEE CC[C@@H](Nc1cccc(SC)c1C#N)c1ccccc1 167592981 UUJPXEOLYWETGQ-OAHLLOKOSA-N 282.412 4.843 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C#N 167600128 VKLVQTGVYAWBKY-MGPQQGTHSA-N 288.460 4.907 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H](CC)c1ccccc1 167704694 UGZUWBJWUFRZDF-ZWKOTPCHSA-N 259.437 4.905 30 10 CJEE C=CCCC[C@H](CC12CC3CC(CC(C3)C1)C2)NC 167709386 LYJQTALESXUUNF-AWDGRILASA-N 261.453 4.537 30 10 CJEE O=C(/C=C/Nc1ccc(Cl)cc1Cl)c1ccccc1 210024115 AYJSGMNMVYNOAM-CMDGGOBGSA-N 292.165 4.802 30 10 CJEE N#CC1(c2cccc(Cl)c2F)CC2(CCCCC2)C1 213737698 GGDBVXOBJPYVNW-UHFFFAOYSA-N 277.770 4.985 30 10 CJEE CCCCCC[C@H]1CC[C@@H](B2OC(C)(C)C(C)(C)O2)S1 216645353 XCUIWQWJGSRYIU-KBPBESRZSA-N 298.301 4.852 30 10 CJEE C[C@H]1CCC[C@H](SCc2cccc(C#N)c2F)C1 222344499 GLEUNQPETLOOSX-FZMZJTMJSA-N 263.381 4.509 30 10 CJEE Cc1ccc(C)c(S[C@@H]2C[C@H](C)CC[C@H]2C#N)c1 227051526 XAGHAEHRXLJIIF-IVMMDQJWSA-N 259.418 4.724 30 10 CJEE CCCCCCCCC[C@H](COC(C)C)NCC 228678060 UWNWYFWPZZGRTR-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCc2cccnc21 229818346 OSMNTFYQMILOLY-ROUUACIJSA-N 288.479 4.840 30 10 CJEE CCCCCCCCNCC1(SC)CCCC1 232922355 LUIHOZOHZPULKF-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE CCCCCCCCC[C@H](CO)NC1CCCCCC1 232983090 HKPDXCQGWFBAHS-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@]1(N)C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 250803718 DRBZMORDIBFUNN-WKULXVSPSA-N 263.469 4.891 30 10 CJEE CCCCCCCCCN1CCC[C@H]([C@H](C)NCCC)C1 250808511 GOTNEUKMSLCXLH-OALUTQOASA-N 296.543 4.837 30 10 CJEE Oc1ccc2oc3c(c2c1C=Nc1ccccc1)CCCC3 254288845 WJNAZIZJBFBBDD-UHFFFAOYSA-N 291.350 4.768 30 10 CJEE CCc1ccc(-c2cc(Br)c(C#N)s2)cc1 259200130 MZYNVXTYMONGKP-UHFFFAOYSA-N 292.201 4.612 30 10 CJEE Cc1cccc2c1cc(CC(C)(C)C#N)n2C(C)C 260279814 LQIGGGGUILKOCZ-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@H](O)C2(C#N)CCCCCCC2)C1 300158589 NRPPKLMGAGNMAU-UAGQMJEPSA-N 275.436 4.594 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCO[C@@H]2C)C1 300438556 DLZWSEPSWDRRIA-OXGONZEZSA-N 295.492 4.642 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)Cc1c(Cl)cccc1Cl 311427551 OTLSRNZRTHIRPA-LBPRGKRZSA-N 298.257 4.564 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(F)c1 312275113 OEXAIMAQJFPUJQ-INIZCTEOSA-N 295.829 4.959 30 10 CJEE CCCN[C@H](C#Cc1ccccc1)C(CCC)CCC 315001802 UYPOJTVDDSLUIM-LJQANCHMSA-N 271.448 4.623 30 10 CJEE CO[C@H](CC1(C#N)CCCCCC1)c1ccccc1 379123638 MTHALLBXWMMKDM-MRXNPFEDSA-N 257.377 4.628 30 10 CJEE C=CC[C@H](CNCCC)Cc1cc(Cl)ccc1Cl 386694859 TYSGTNROGMHOSO-LBPRGKRZSA-N 286.246 4.728 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cc(Cl)ccc1F 387690533 VCSMAWKBYSLOHU-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(OC(F)(F)F)c1 394396772 DZFMYKDLYMOSIU-CQSZACIVSA-N 287.325 4.722 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1Cl)[C@H]1CC1(C)C 397686255 LPFQHEXYXZTIQX-HOCLYGCPSA-N 276.811 4.860 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CC(C1CC1)C1CC1 400907585 QLVGCSHYXDBZII-KRWDZBQOSA-N 275.480 4.621 30 10 CJEE C=CCCC[C@H](NCC(C)C)[C@@H](C)c1ccccc1 405660745 UGYNNHVYOWGYGI-WMZOPIPTSA-N 259.437 4.761 30 10 CJEE CC(C)(CC[C@@]1(C#N)CCc2ccccc21)C1CC1 405956153 JZHVJFKZALGLCI-GOSISDBHSA-N 253.389 4.611 30 10 CJEE C=CCCC[C@@H](C)Sc1ccc(C(C)=O)cc1OC 462406007 GTIYJQXWDFPTEJ-GFCCVEGCSA-N 278.417 4.735 30 10 CJEE C#CCCOc1ccc(Cl)cc1C1CCCCC1 686907051 YOPLZVOBMNITTN-UHFFFAOYSA-N 262.780 4.790 30 10 CJEE C1CCCC(/N=C2/NC3(CCCCC3)CCS2)CCC1 687318354 GXOYDHTUSJPAPK-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE CC[C@H](CC1(C#N)CC(C)(C)CC(C)(C)C1)OC 688307300 FVGMFQLNQDEULX-CYBMUJFWSA-N 251.414 4.548 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@]2(C)CC2(F)F)C1 689320246 OMMBRFDDJDWJHT-CQSZACIVSA-N 272.379 4.843 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCCCC[C@@H]1C(C)C 691090989 STHCBNDFNRYXDQ-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C#N 692226235 DFNMDDABNBSVTD-WFASDCNBSA-N 274.795 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 692227178 NCILANMXDSCBJQ-WBMJQRKESA-N 274.795 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1c(F)cccc1F 692233451 AZYMUJLJPPGCMS-IOASZLSFSA-N 279.374 4.750 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CC2CCC1CC2 692270184 CFALOVRETFHIOY-CVYVFNMISA-N 275.480 4.926 30 10 CJEE CCCC1CCC(C=O)(CC2(OC)CCCCC2)CC1 692809603 YKQZWTDYGWSUID-UHFFFAOYSA-N 280.452 4.901 30 10 CJEE C[C@H](NCc1cc2cscc2s1)c1cccc(C#N)c1 693926955 YJYZJZILDQLPJU-NSHDSACASA-N 298.436 4.685 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](N)C1 696046867 LJKZOIOIMOPFJF-SQNIBIBYSA-N 283.500 4.786 30 10 CJEE C=CCCSCCN[C@@H]1CCC[C@H](CCC)CC1 696138725 GLQYTSXWJHRFEX-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@H]1CCCCO1 705952602 VJMILIPSJPEUMW-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE N#Cc1ccc(N2CC[C@H](C3CCCCC3)C2)cc1Cl 708813078 DPUABEQPUCKJQK-HNNXBMFYSA-N 288.822 4.618 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H](C)CC(C)(C)C 709133363 ZRLHDZMPVSESSL-NVXWUHKLSA-N 253.474 4.887 30 10 CJEE CCCCCCCCC[C@H](NC)c1csnc1OC 712925758 PAXAEHZSULKUGD-AWEZNQCLSA-N 284.469 4.553 30 10 CJEE N#C[C@]1(CC[C@@H]2C[C@@H]2C2CC2)CCc2ccccc2C1 714891281 AVFFGCRIBVNQNX-QRQLOZEOSA-N 265.400 4.512 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1oc2ccc(F)cc2c1C 715704610 KKATZSYRGLGDOD-MEDUHNTESA-N 275.367 4.743 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2scnc2Cl)C1 721813677 BOAOOXBVEXZQPM-UHFFFAOYSA-N 299.867 4.761 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(C)(C)OC(C)C)CC1 724554106 SWSSPLWVHISEDW-QGZVFWFLSA-N 281.484 4.695 30 10 CJEE CC[C@H](C#N)c1cc(C(F)(F)F)ccc1C(F)(F)F 725413587 YVUDMIAGUHQROB-SSDOTTSWSA-N 281.199 4.741 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)CCCCC1 1125930114 NTFLUYHGSWCWOY-DLBZAZTESA-N 291.479 4.844 30 10 CJEE C=C[C@H](OC(=O)C1CC2(CCCCC2)C1)c1ccccc1 1130934493 OLBJGOHKCVZSRZ-KRWDZBQOSA-N 284.399 4.817 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCCC2(C)C)c1 1134626594 KQBARAWJGMDOBV-INIZCTEOSA-N 271.404 4.875 30 10 CJEE CCCCCCCCN(C)Cc1cncc(Cl)c1 1136994182 JNXVXOGABIYQOK-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C#CCCCCCCN[C@H](C)c1cc(C)ccc1C 1168925397 OIOQOARXPRHMSV-QGZVFWFLSA-N 257.421 4.538 30 10 CJEE C=CCCCN1CC[C@H](C)Sc2ccc(Cl)cc21 1192043731 WNXJWLDCSAZRCB-LBPRGKRZSA-N 281.852 4.997 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1 1203113543 NCFLFOBSRWJCGO-UYAOXDASSA-N 298.474 4.511 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H](CC)CC(F)(F)F 1206313125 FZPQITJTADFACG-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CCCCC[C@H](C)N[C@H](Cc1ccccc1)C(C)C 1207558092 VHCJORACSNKRMJ-PKOBYXMFSA-N 273.464 4.978 30 10 CJEE C=CCC[C@@H](C)NC1c2ccccc2-c2ccccc21 1258717995 BRWGBVQFZXHWCE-CQSZACIVSA-N 263.384 4.701 30 10 CJEE C=C1CCC(C(=O)O[C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 1269817806 AFAVZQNYXIRABW-RBUKOAKNSA-N 298.426 4.921 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cscc1C(F)F 1278999945 XHDRXIRCOXLYSG-GWCFXTLKSA-N 299.386 4.550 30 10 CJEE C=C[C@@H](OC(=O)[C@H]1CC[C@H](C(C)C)CC1)c1ccccc1 1279070957 XFMCIWPHKOKGRZ-KBAYOESNSA-N 286.415 4.919 30 10 CJEE C=C(C)c1cccc(NCc2cc(F)ccc2F)c1 1308542936 GRYUNCGGDWJDLH-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=CC(C)(C)CC(=O)N(CC(C)C)c1cccc(Cl)c1 1436252473 YGGPWIKMHIQKQA-UHFFFAOYSA-N 293.838 4.931 30 10 CJEE C#CCCCCCCN[C@@H]1C[C@H]1c1c(F)cccc1Cl 1462336696 VUJYSJXWEWIFAO-CZUORRHYSA-N 293.813 4.508 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(SCC)cc1 1528880965 NOJUURNVNQWBMF-ZIAGYGMSSA-N 291.460 4.578 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](CC)CCCC)c1ccccc1 1538943309 JEPWHPPJEIXSBG-GOEBONIOSA-N 260.377 4.673 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 1545006875 UGSMXJNEHOYNNJ-LNLFQRSKSA-N 291.479 4.846 30 10 CJEE C=CCCCCN[C@H](CCC)c1ccc(F)cc1F 1559681433 HTJUYNXXSLWGGD-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(C)cc1Cl 1583102725 FXLWLKLXVUMSKL-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ncc(C2CCCCC2)s1 1584717014 QHQOUILUVDNMLU-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE Fc1ccc(C#Cc2ccc(Cl)cc2Cl)c(F)c1 1614731389 VIJPQAPONPOTQO-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE Cc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)c(C)c1 1614825326 DHUJPZGNHWGSOS-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE CCCCCCCN1CCS[C@@H](c2ccccc2)C1 1619895630 OTSRZOYEQWKTMW-QGZVFWFLSA-N 277.477 4.747 30 10 CJEE C=C(C)[C@@H](NC1CCCCCC1)c1ccc(F)c(F)c1 1621261414 SSSKHUBTCLOWKG-QGZVFWFLSA-N 279.374 4.894 30 10 CJEE COc1ccc([C@H](C)SCc2ccc(C#N)cc2C)cc1 1640880176 HZCJTHHQZLPWAX-AWEZNQCLSA-N 297.423 4.870 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1cccc(C)c1 1644457961 WSVLGOCOMZJAIP-QGZVFWFLSA-N 290.410 4.616 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)/C=C/CCCCCCCCC 1647655997 HKJXJRMADWGEAX-FXFXYLOPSA-N 289.463 4.698 30 10 CJEE C=C1CCC(CNCc2cc3cccc(CC)c3o2)CC1 1651532002 UMQCGNNQEHBLDA-UHFFFAOYSA-N 283.415 4.831 30 10 CJEE C#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1 1656985359 XNVIDZHSXZJBDC-OAQYLSRUSA-N 289.422 4.689 30 10 CJEE C=CCN(Cc1ccc(F)cc1F)CC1CCCCC1 1657316263 DRDFBDPDZCTXFK-UHFFFAOYSA-N 279.374 4.533 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc(Cl)cc2C)CC1 1657529728 FYBLFKYQHLMEOU-UHFFFAOYSA-N 292.810 4.516 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2C[C@H](Sc3ccccc3)C2)C1 1657760677 GQCKKQRUGDMMKW-YFHUEUNASA-N 287.472 4.644 30 10 CJEE C=CCCc1ccccc1NCc1nc(C(C)(C)C)co1 1657845427 GAPJPIKWISHPKY-UHFFFAOYSA-N 284.403 4.703 30 10 CJEE C=C(CC)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1658433907 QNHYBVHSVWHPIE-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@H](SC)C(C)(C)C 1658839449 FBDQCHYBPICAOX-CABCVRRESA-N 271.514 4.879 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](CCC)C1CCCC1 1681910199 RFTBEQRDKGXENZ-KRWDZBQOSA-N 294.483 4.733 30 10 CJEE C=CCCCCCCCNC(=O)NCC1CCCCCC1 1686478003 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4.516 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@H](F)C1)OCCN 2293341635 ZLEQCHQGAWZWEP-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@H]2CC[C@H]1C2 2293412818 GBEIGCPWKUTQHK-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE C=C1CCC(C[C@H](Cc2ccc(Cl)c(F)c2)NC)CC1 2295157752 CHKVBYPVGMAHJF-OAHLLOKOSA-N 295.829 4.746 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cn(CC)c(C)n1 2295592843 WCZLLOOJACGXIK-QGZVFWFLSA-N 280.456 4.560 30 10 CJEE C=CCCCCCCN(C)c1ccc(Cl)cc1 2301287018 MAYZAIOOXKZLMA-UHFFFAOYSA-N 251.801 4.913 30 10 CJEE C=CC[C@H](C)S[C@H]1CC(C)(C)CC[C@@H]1NCCC 2313532822 ZKUHOKQSVJXCMC-KKUMJFAQSA-N 269.498 4.631 30 10 CJEE CC(C)CCC[C@@H](C)Nc1cc(C#N)ccc1Cl 2315954008 LXQMGUHOBBFPBM-GFCCVEGCSA-N 264.800 4.838 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1ccc(Cl)c(Cl)c1 2316706667 WWYNPTGKSIRGPV-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC(F)F)NCCC 2321095853 MRZUTAUCJPYQGJ-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@@H](C)C(F)(F)F)NC 2321105331 OKKPQBDYMXAPKI-AGIUHOORSA-N 265.363 4.545 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C(C)C)CCC1)NCCC 2321127419 JNVWHFQDKKWRDR-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NC 2321148060 MMQTWXVSOGHRCC-FXUDXRNXSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cccc(Cl)c1C 2321167358 OVZJPBJZDCBBRB-INIZCTEOSA-N 264.796 4.752 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1C[C@@H](F)C1 2327231867 IMIFPKJORZCOBZ-OWCLPIDISA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@](C)(F)C(C)(C)F 2328067216 NHISBAPMQLMWMX-CABCVRRESA-N 263.416 4.931 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 2329946173 MKRMZKYJNZTXKG-QBPKDAKJSA-N 261.453 4.537 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CC[C@@]2(C)C[C@@H]12 2331621870 OGVIHTACZWPVBY-JYJNAYRXSA-N 283.525 4.623 30 10 CJEE CCCCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(F)(F)F 2332408952 QOVPLOUOFMDJEE-RDBSUJKOSA-N 277.374 4.762 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1ccc2ccccc2c1 2335103238 IUONJLCNJZARDF-GUYCJALGSA-N 271.429 4.537 30 10 CJEE C=CCCCCCCC[C@](O)(CC)[C@@H]1CCCCO1 2337288377 WIHKRSCLUMKBOD-DLBZAZTESA-N 268.441 4.613 30 10 CJEE CN[C@H](C#CC1CCC1)c1ccc(-c2cccs2)s1 2337579367 BNUAVCKLHKLPMW-CYBMUJFWSA-N 287.453 4.541 30 10 CJEE C=CCCCCOCCCCCCCN[C@H](C)CC 2337926506 XZUCZGIZILNFBN-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCC(CC=C)[C@@H](NN)c1cc2sc(C)cc2s1 2338662729 OXJITOOBIMYENV-OAHLLOKOSA-N 292.473 4.544 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccccc1CCC 2344345297 MKNMITRSAIJDHV-MSOLQXFVSA-N 259.437 4.501 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1C[C@H]1c1ccccc1 2344370575 CSSQRPIWVBMYIT-BQFCYCMXSA-N 256.389 4.742 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2344462161 JAJWAMREVSMBKE-GFCCVEGCSA-N 292.728 4.995 30 10 CJEE C=CC[C@@H](C)SC1(C(=O)O)CC2(CCCCCC2)C1 2352006359 NIWARDMGRVFHMP-CYBMUJFWSA-N 282.449 4.642 30 10 CJEE C=CCCCCCCCC[C@H](C[C@@H]1CCC1(F)F)NN 2360487956 ZJBAHRSHAYMKRN-LSDHHAIUSA-N 288.426 4.561 30 10 CJEE Cc1ccc(C(=O)/C=C\c2cc(C)ccc2C)cc1 33502602 KFHJLGNHPNNHIU-KHPPLWFESA-N 250.341 4.508 30 10 CJEE CCCCC[C@@H](N[C@H](CC)CC#N)c1ccccc1 54183718 WXRMRLXRUCNAQD-IAGOWNOFSA-N 258.409 4.590 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 54824731 LHTCMINDADXYBE-WRWORJQWSA-N 289.593 4.751 30 10 CJEE Cc1ccccc1CS[C@@H]1CCCCC[C@@H]1C#N 54964078 HCEVSCUECWXOAD-GDBMZVCRSA-N 259.418 4.701 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2cccc(F)c2)c1 57688405 DRWUOHKGFATGCG-INIZCTEOSA-N 283.346 4.601 30 10 CJEE C=CCn1c(-c2cccc(N)c2)nc2cc(C(C)C)ccc21 74296939 HWTLJYUKOYYWAO-UHFFFAOYSA-N 291.398 4.595 30 10 CJEE CC(C)(C)C1CCC(c2nc(CC#N)cs2)CC1 87993997 FDAQJFLVIOOXAS-UHFFFAOYSA-N 262.422 4.529 30 10 CJEE N#C[C@@H]1CCC[C@H]1Sc1ccc(Cl)c(Cl)c1 88304069 CUNIRGOTVJMYGX-QPUJVOFHSA-N 272.200 4.778 30 10 CJEE CCOc1ccccc1OCC[C@@]1(C#N)CC[C@H](CC)C1 88415911 GUAGWKOOPVRYDL-YJBOKZPZSA-N 287.403 4.574 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(Cl)s2)CC1 91883355 NRAFTAHVZOGVQF-LBPRGKRZSA-N 283.824 4.545 30 10 CJEE CCCC1CCN(CC2(CS)CCCCCC2)CC1 94577447 FAUVKWVBGKPSKX-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCN(CC)CC(CS)(CCC)CCC 94578701 NOAMRNBHCJGNJA-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)CCCCCCS 94579561 NKZREVZRUGMFOC-CYBMUJFWSA-N 285.884 4.823 30 10 CJEE Cc1ccc(C(C)C)c(OCCCCCS)c1 94582751 FUWICHZEVBEAML-UHFFFAOYSA-N 252.423 4.597 30 10 CJEE C=C(CC)Cn1cc(CCCNC(C)C)c2ccccc21 97209199 VVXLGYKMEVWUHO-UHFFFAOYSA-N 284.447 4.538 30 10 CJEE CC(C)CCC[C@H](C)Nc1ccc(C#N)c(Cl)c1 104164120 YWNUQJDPENZBCL-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE CCCCCCCCCCCC[C@]1(C(=O)O)CCCNC1 109039557 PIOCXFOTFRSWRL-SFHVURJKSA-N 297.483 4.752 30 10 CJEE CCCCCCCCO[C@H](CNC1CC1)c1ccccc1 110070218 GSQQFGHVTBEYBD-LJQANCHMSA-N 289.463 4.857 30 10 CJEE CCCCCCC[C@](C)(Nc1cccc(C)c1)C(=O)OC 110319447 WIGZYBFHOIGRDS-SFHVURJKSA-N 291.435 4.699 30 10 CJEE C[C@H]1CCC[C@@H](Sc2cccc(Cl)c2C#N)C1 110354389 HFAYGUOCVTYGRB-WDEREUQCSA-N 265.809 4.882 30 10 CJEE N#Cc1ccc(Oc2ccc(N)c3ccccc23)c(Cl)c1 111128268 VAAJCWRIAPFPJX-UHFFFAOYSA-N 294.741 4.739 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1CC(C)C 115224096 YCLJJSGXJYFRGH-RBUKOAKNSA-N 296.543 4.691 30 10 CJEE CCCCCCCC[C@H](CO)Cc1ccc(OC)cc1 117327582 YYBVLJAIKSHPID-KRWDZBQOSA-N 278.436 4.597 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](N)C12CCCCCC2 117341671 BLCOQYPXVHIREF-SJORKVTESA-N 281.484 4.804 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(F)c1Cl 125687907 CJZCTDHFAQWAOB-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE CCCCCCC[C@H](NN)C1(c2ccccc2)CCCC1 126185153 KKAIAXPJUIWRTN-SFHVURJKSA-N 288.479 4.691 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1ccc(N)c(C#N)c1 127715665 KHTMBBUHDDPIRI-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE C#CC[C@H](CC)N[C@H](CC)c1ccc(Cl)c(Cl)c1 129739136 LUUIVLHNFYDNPX-SWLSCSKDSA-N 284.230 4.836 30 10 CJEE Cc1cc(N[C@@H](C)c2cccc(Cl)c2)ccc1C#N 132628247 HBCQDYSLYUBXNL-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC[C@@H](O)c1scnc1C 135351227 VJZMDWMGFKOVMB-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE CCCCCCCCCOc1ccc(C=O)cc1F 139982433 JHWGWYIKMZISNC-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1OCCc2ccccc21 140271673 IRHUOONUDOFSMA-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1ccc(OC)cc1 159197672 BYHPNEHXKFMAEY-INIZCTEOSA-N 277.452 4.576 30 10 CJEE N#Cc1c(F)cccc1Sc1ccc(O)c2ccccc12 163442519 IJSUWBMKBOCUOT-UHFFFAOYSA-N 295.338 4.707 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 163908163 FCMUARGYZPOPKZ-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCC(=O)Cc1cc(CC)nn1CC 167486736 DWPKGVOAJBOHAZ-UHFFFAOYSA-N 292.467 4.718 30 10 CJEE CCCCC[C@H](C)Nc1cccc(Br)c1C#N 168492449 MAGJTSWQZHPOQU-NSHDSACASA-N 295.224 4.701 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@H](C)[C@@H](C)C2)CC1 218543467 UHNRGSFSUSZVLK-QOCJCZBQSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccs2)C1 222265547 GVSPLSIULUKKDQ-WOPDTQHZSA-N 251.420 4.559 30 10 CJEE CCCCCCCCCCNCC[C@@H]1CCCCO1 223739750 RBXRUPUNVGRZLY-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@]2(C#N)CC[C@@H](CC)C2)CC1 227318735 IQZNZAPZVFAFKN-BRSBDYLESA-N 277.452 4.818 30 10 CJEE SCC1(CN2CC[C@H]3CCCC[C@H]32)CCCCCC1 228056763 NXRKLBBWSLYAKN-HZPDHXFCSA-N 281.509 4.521 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(Br)c(C)c1 229754456 KKCCSWMXBSOGBX-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC[C@H](C)c1ccc(Oc2cccc(C#N)c2)cc1 232342219 JBWMMFPUCCBCKY-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE CCC(=CC(=O)c1ccc(C(F)(F)F)cc1C)CC 232879179 LQIBJSNTDDJJQI-UHFFFAOYSA-N 270.294 4.943 30 10 CJEE CCCCCCCCOc1ccc2c(c1)[C@H](N)CCC2 232945758 STIWWURODTYTGY-GOSISDBHSA-N 275.436 4.762 30 10 CJEE CCCCCCCCC[C@H](CO)Nc1cccc(C)c1 232983965 VIMXANRAXPVQGL-GOSISDBHSA-N 277.452 4.909 30 10 CJEE C=CCCCCC[C@H](NC)C12CC3CC(CC(C3)C1)C2 234421228 TUMUYDWHQJLCRB-NNGLDNROSA-N 275.480 4.927 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(C)c(Cl)c1 235758313 DBGGWQZUCKQIHT-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@]1(C)CC 250822934 LZUTXHIRXSAGIX-HKUYNNGSSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1C[C@H]2CC[C@H]1C2 252901233 KQIIJMFJTDNMEU-NXOAAHMSSA-N 252.442 4.924 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1CCCC[C@H]1C(F)(F)F 253006079 ZXFRBPIRYQNGOU-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253089854 HJBJUHNUHPEFPM-GUDVDZBRSA-N 295.511 4.753 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](n2ccc3ccc(C#N)cc32)C1 311268333 XLWRGOLFVDAAHB-VIKVFOODSA-N 252.361 4.510 30 10 CJEE Cc1ccc(C#N)cc1NCC1CCCCCCC1 311295287 XHMKWSYZXJVPKW-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(F)c(Cl)c1 312266449 MYLZRSASIXFCIF-MRXNPFEDSA-N 295.829 4.959 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCCC23CCCCC3)C1 312997337 UFJDPLOKGIDDJP-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCSc2ccccc2)C1 316870051 PXBVBVCXOQYZFY-RDJZCZTQSA-N 276.445 4.954 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccsc2)CC1 317564234 KUWQUEBKWJZJHP-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE C=CCCCCCC1(CNCCOC)CCCCCC1 318579932 MZDRLZCWXGSKTF-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2cnccc2c1 328421884 ZGSGIVVSRGTNCQ-SFHVURJKSA-N 270.420 4.985 30 10 CJEE C=C([C@@H](N)CCCCCCCCC)C(F)(F)F 379768107 MKZWXLZAZUAESN-LBPRGKRZSA-N 251.336 4.573 30 10 CJEE CCC(=NO)c1ccccc1OCCCCCC(C)C 383141503 MLACFQFFPXWBTP-UHFFFAOYSA-N 277.408 4.870 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cccc(F)c1Cl 384871220 OVAOPVCFCOHYHX-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCC1(F)F 390643513 HVJXKPLNEQZXTF-UONOGXRCSA-N 261.400 4.760 30 10 CJEE C=CCCCCC1CCC(NC(=O)OC(C)(C)C)CC1 390802285 QSTMJJNFVPTPLR-UHFFFAOYSA-N 281.440 4.816 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2c(Cl)cccc21 393813946 FQTDOEULNLITRV-VIFPVBQESA-N 266.797 4.506 30 10 CJEE CCCCCCCCNCc1csc(C)c1C 399981932 HHQWXBJGKAMNBX-UHFFFAOYSA-N 253.455 4.815 30 10 CJEE CCCCCCCC[C@H](C[C@H](CC)CC(F)(F)F)NN 402440706 NNRYVGOBMSTGCP-UONOGXRCSA-N 296.421 4.938 30 10 CJEE CN(C[C@@H]1CC[C@@H]2C[C@H]2C1)CC1(CS)CCCCCC1 403634309 GCAQIRGPVWEJDT-BRWVUGGUSA-N 295.536 4.625 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(F)c(C)c1 686693747 WWDVZHBRFJFXPO-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CO[C@H]1CCCC[C@H]1C1(C=O)CC(C)(C)CC(C)(C)C1 688006498 OMMDPASEMHULLE-CABCVRRESA-N 280.452 4.613 30 10 CJEE C#C[C@H](Nc1cc(CC)ccc1CC)c1ccccc1 689623235 YJELBIVVYANPGL-SFHVURJKSA-N 263.384 4.598 30 10 CJEE CCSc1cccc(NC[C@H](C#N)C2CCCC2)c1 690119623 HEFHETXNMNIPAY-AWEZNQCLSA-N 274.433 4.540 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 690224063 CASFYAXONDAPBS-UHFFFAOYSA-N 292.810 4.901 30 10 CJEE CCCC[C@](CC)(C(=O)O)[C@@H]1C[C@H](CC)CC[C@H]1C#N 691849619 VIFFFFHNDHTYQC-DLTWYDFYSA-N 279.424 4.624 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC(C)(C)CC(F)(F)F 694125492 CHDJUMLUVPFQPI-YPMHNXCESA-N 264.331 4.751 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCCC2(CC2)C1 696002393 NEJRDCZZASZTCD-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C=CCCSCCN[C@@H](C)c1cc(C)c(C)cc1C 696033995 MEXKXRZVLLEJTL-INIZCTEOSA-N 277.477 4.572 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Cl)c(F)c1 701865769 WNZQYKSFUOVYRM-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCCCCCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 703717094 KMMSXEJPVZLAEP-HUUCEWRRSA-N 275.436 4.809 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 709108515 LZEATFGLYFZEFJ-DGCLKSJQSA-N 277.795 4.589 30 10 CJEE C[C@H](CNc1cc(C#N)ccc1Cl)CC(C)(C)C 709246760 JBNUYCZTQGSGDX-NSHDSACASA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 710597795 OMHLWSLYZYFOGA-CGLCSIQHSA-N 281.871 4.714 30 10 CJEE C=C(Cl)C[C@@H](C[C@@H](CC)C(C)(C)C)NCCC 711125875 ZFDVKKRDAPZZED-KGLIPLIRSA-N 259.865 4.960 30 10 CJEE C=CC[C@H](C)Nc1ccc(OC(F)(F)F)c(Cl)c1 715004259 FZYBCSWCEMXSSS-QMMMGPOBSA-N 279.689 4.615 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc2ccc(F)cc2s1 715770625 QMJIFDMZTZYDNP-BMIGLBTASA-N 263.381 4.513 30 10 CJEE C=CCCC(C)(C)NCc1ccc(F)cc1C(F)(F)F 717898328 KGLHZJLUJWERRE-UHFFFAOYSA-N 289.316 4.679 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc(C)c2Cl)CC1 724548434 BAFULVYJFGQFEV-OAHLLOKOSA-N 263.812 4.785 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2cnccc2C)CC1 724554004 QOZMWAXZDYIKFG-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H](C)C2CCC2)CC1 724607531 OCEQDLGLDVINOZ-MAUKXSAKSA-N 263.469 4.927 30 10 CJEE CC1(CC/N=C2/N[C@H](C3CCCC3)CCS2)CCCC1 725086649 ZCHMUHUCKUDGJT-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE C#CCCCS[C@H](C)c1ncc(-c2ccccc2)o1 766743048 YCTKMUUYCLKAOS-CYBMUJFWSA-N 271.385 4.549 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1128087579 MLJYKBHUULUESZ-SJORKVTESA-N 299.458 4.605 30 10 CJEE C=CCCCN(CC)Cc1ccc(C)cc1Br 1176798496 QSJKHRIASQNRDI-UHFFFAOYSA-N 296.252 4.546 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cccc(C)c1C 1192835728 ZMUYIQZCVFPUFZ-KRWDZBQOSA-N 257.421 4.538 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2ccccc2C(F)(F)F)C1 1199759838 NHQJFZOEXHQRFX-UKRRQHHQSA-N 297.364 4.582 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc3occ(C)c3c2)C1 1216764285 UUASNUNJWIQXIE-CQSZACIVSA-N 298.386 4.561 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCc3ccc(C)cc32)c1 1220334566 AKNZDGXHIIBERW-UHFFFAOYSA-N 292.382 4.623 30 10 CJEE C=CCC(CC=C)C(=O)Oc1c(Cl)cccc1Cl 1264216846 VFZDAJCHIRHYRW-UHFFFAOYSA-N 285.170 4.667 30 10 CJEE C#CCCCCC(=O)Oc1ccc2oc3ccccc3c2c1 1349610053 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2235197621 VOMWLOWZHSSIRG-BZSNNMDCSA-N 281.484 4.968 30 10 CJEE N#Cc1cc2ccccc2nc1SCCCCC1CC1 2235465384 YWNFBDDXHYHHBX-UHFFFAOYSA-N 282.412 4.779 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cccc(C)c1F 2235540314 WAPNYDFCXXIWSG-INIZCTEOSA-N 278.415 4.555 30 10 CJEE CC1=CC[C@](C)(CN(C)CC2(C#N)CCCCC2)CC1 2237287473 WJNYDEKFMMSPTC-KRWDZBQOSA-N 274.452 4.529 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@@H](C(C)(C)C)C2)ccc1C#N 2238149547 FRPXLOVGBZBVLP-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCCCCCCCN(C)[C@H](C)[C@@H](C)CN[C@H](C)CC 2238939707 SLXWRDGJQLJHIZ-RCCFBDPRSA-N 284.532 4.691 30 10 CJEE CCCCCCCCCOC[C@H](NCC)C1CCCC1 2239454483 IUXMUZHPAMRADU-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CC)[C@H](N)c1ccccc1 2239483569 RSSWXCYSDYQMQK-KZNAEPCWSA-N 275.436 4.617 30 10 CJEE C=C[C@@H](CCCCC)O[C@@]1(C(=O)O)CCCC(C)(C)C1 2239501842 HONBSTYUYAEBLP-YOEHRIQHSA-N 282.424 4.562 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H]1CCOC2(CCC2)C1 2240621415 HUIJKYLNZKTCKF-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CC(C)(C)C(F)F 2240637671 LIBVHFFCOPAOJS-MRXNPFEDSA-N 292.410 4.739 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCCC(C)(F)F 2240639986 LOIAGCBAMNKPNN-HUUCEWRRSA-N 293.442 4.641 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc2ccoc12 2241193577 DURYHLXIOYCYKH-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE C=CCCCSc1ccc(C(C)=O)cc1Cl 2244578501 SVXSFPBPXRTKCS-UHFFFAOYSA-N 254.782 4.601 30 10 CJEE C=C(Br)CCNCC[C@@H](C)CCCC(C)C 2244838285 UDLMZRBBMKSCMR-ZDUSSCGKSA-N 290.289 4.727 30 10 CJEE C=C(C)CCCCNCc1c(Cl)cccc1Cl 2250186183 XATFTFCQOOHXDG-UHFFFAOYSA-N 272.219 4.829 30 10 CJEE C=C[C@@H](C)CCN(C)c1nc(Cl)c(Cl)cc1Cl 2251038478 DRFGLGXJOMAWEL-MRVPVSSYSA-N 293.625 4.690 30 10 CJEE Cc1cc([C@@H](N)CC=CC#CC(C)(C)C)sc1Cl 2256694745 SJHHFALCTFSEJG-LBPRGKRZSA-N 281.852 4.706 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2258567193 ZGYCUPSDNVEKQU-ABAIWWIYSA-N 284.230 4.919 30 10 CJEE C=CCCCCCCCSC[C@@H](NC)C1(C)CC1 2259052042 SYKBHSJHBWEMKW-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCCSC[C@H](N)C1(C)CCC1 2259069802 FMLDRQOOUKCYBF-HNNXBMFYSA-N 269.498 4.764 30 10 CJEE CCCCCCC[C@H](OCCN)c1csc(Cl)c1 2262616943 NHHYHSJZKPJJBD-ZDUSSCGKSA-N 289.872 4.778 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)CCCCCCCS)[C@@H]1C 2263212553 WMAIUBUFFCSPDI-BZUAXINKSA-N 271.514 4.623 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H](C)COC 2263666153 PLPLPUYSUUWPEC-CVEARBPZSA-N 258.446 4.551 30 10 CJEE C#CCCC[C@@H](C[C@H]1CCCCC12CC2)NCCC 2264820939 BIQVOPTXTCROPV-SJORKVTESA-N 261.453 4.519 30 10 CJEE CC[C@@H](C)c1ccc(OCC2(CS)CC(C)C2)cc1 2265295826 VXLUMUFMAUOOHT-XOYHFGRZSA-N 278.461 4.925 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1nccc2sccc12 2268942274 BEOXRIOMRQAVIV-TZMCWYRMSA-N 274.433 4.549 30 10 CJEE C=CCCCCCCCSC[C@H](NCC)[C@H]1C[C@H]1C 2271595778 BQBMLISGDABMCC-IKGGRYGDSA-N 283.525 4.880 30 10 CJEE C=CCCCCCCCSc1ccnc(C#N)c1C 2272753497 OOBSRHDFURLNJU-UHFFFAOYSA-N 274.433 4.880 30 10 CJEE CSCC1(C[C@@]2(C#N)CCC[C@@H](C)C2)CC(F)(F)C1 2273945374 YFCZIRIVOJXATN-CHWSQXEVSA-N 287.419 4.875 30 10 CJEE CN[C@@H](C#CC1CCCC1)c1cc(Cl)c(Cl)cc1C 2273967256 JEZZNYYRLAJLMR-INIZCTEOSA-N 296.241 4.756 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(C)CCCCC1 2273998030 DOGGPTQORBNMHR-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC(C)[C@@H]1CCC[C@@](O)(CC#CC2CCCC2)CC1 2274180430 HYAYFJFHILXKSS-MSOLQXFVSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@H](C=C1CCCC1)OCCN 2276408317 FFRSTVXKYHANFD-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCN=c1ccc2cc(Cl)ccc2[nH]1 2277668132 IJFPPQONMZLMCH-UHFFFAOYSA-N 276.811 4.692 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC1CC(OC)C1 2278178064 YMIKWPOLTAZNOA-OFLPRAFFSA-N 269.473 4.660 30 10 CJEE C=C([C@H](C[C@@H]1CCCCC12CC2)NCCC)C(F)(F)F 2279625328 ZYBVZBMVIUQNSU-KBPBESRZSA-N 289.385 4.834 30 10 CJEE CC[C@]1(C)CCSC(=NCC[C@@H]2CCCCC23CC3)N1 2279725648 ILTNDKUHLLBVEM-GOEBONIOSA-N 294.508 4.598 30 10 CJEE CN(CC[C@H]1CCCC12CC2)c1cc(Cl)ccc1C#N 2281443736 YTFPWAGDIVRSFQ-CQSZACIVSA-N 288.822 4.618 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1ccc(CCC)cc1 2283483759 QHRLOQDCVFASDG-SFHVURJKSA-N 271.448 4.729 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@]2(CO1)C[C@H]1CC[C@H]2C1 2283874513 OPCBYDOXFTUDQP-WNRNVDISSA-N 279.468 4.632 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCC(F)(F)CC1 2284111543 VSXOMOXUGQRCTP-CQSZACIVSA-N 282.374 4.767 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@@]12CCC[C@@H]1C2 2284154569 BQCYOVMLYUQBQZ-LMMKCTJWSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1CCCC(F)(F)CC1 2284179253 XVKRKEJCYWWPPX-LSDHHAIUSA-N 283.406 4.525 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1COC2(CCC2)C1 2284753163 LPAJHTCRCXDGGQ-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C[C@H]1C[C@@](C#N)(CCCCCCCCCCO)CCS1 2286810940 RRQPSGJYCFTCQS-DLBZAZTESA-N 297.508 4.915 30 10 CJEE C=CC1(C[C@H](NCCC)c2csc(C)c2OC)CCC1 2287322750 KQBMGYVQNDUHCE-HNNXBMFYSA-N 293.476 4.852 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)c1ccc(C)s1 2287392888 SKLCWOQGTPRGPS-RDJZCZTQSA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@H](N)Cc1ccc2ccccc2c1 2287411525 VXILEFHAQPBCFA-IBGZPJMESA-N 267.416 4.846 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2287468693 XTZHZZMKRNQSFL-VNBWJKKMSA-N 275.480 4.783 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@@H](C(C)C)CS1 2287885272 MXDHULUYBPGWOY-JKSUJKDBSA-N 298.540 4.804 30 10 CJEE C=CC[C@](C)(O)[C@H](CC[C@H](C)CCCC(C)C)NCC 2287983001 QNDHPSMCKBONDW-SQNIBIBYSA-N 283.500 4.534 30 10 CJEE CCCCCCCCCCN(C[C@H](C)N)CC(C)(C)C 2288106992 KZMGTDAVYBJDKR-KRWDZBQOSA-N 284.532 4.822 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C[C@H]1CCC12CCC2 2289682693 WRXPJSOHZNXPSY-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCCC2(C)C)c(F)c1F 2289812323 NEIQTUDTGLVEGB-KRWDZBQOSA-N 277.358 4.926 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)C=C(C)CC1 2290639602 ZPGANYSWDNPTCM-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=CC[C@@](C)(CC[C@@H](C)CCCC(C)C)OCC(=O)O 2291751716 HEBOLXPIFBHTRB-RDJZCZTQSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@H](CCCC1CCC1)OCC(=O)O 2292148253 LDVBAOJHLPORFW-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1ccc(C)cc1 2292806621 SFTCIUASSJTQEB-SFHVURJKSA-N 275.436 4.538 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1sncc1C 2293517795 ZWPGLRBQIWYWAN-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@@H]1F)OCCCN 2294588219 NGOLAXPHCZEGBF-IXDOHACOSA-N 287.463 4.609 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(C#Cc2ccccc2Cl)C1 2295227705 XYNCENGUJWDWNV-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCCC1(C)C 2295522497 ONFOKUBYKJIUQK-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1cscc1C 2295673668 JXAFTILBKHDAGJ-IAGOWNOFSA-N 297.508 4.948 30 10 CJEE CCCN[C@@](C#N)(CSCC1=CCCC1)C[C@@H](C)CC 2296282428 WSLHBTQNYYZFAW-RDJZCZTQSA-N 294.508 4.528 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(C[C@H]2C[C@@H](SC)C2)C1 2299366640 RJRZQXPKZXPFCX-XQLPTFJDSA-N 251.439 4.628 30 10 CJEE CCCCCCCCCCSCC1CC(N)C1 2300974871 NDHBVKYZAYZTCB-UHFFFAOYSA-N 257.487 4.598 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(Cl)ccc1Cl 2301036168 DJIRJVCGUXABPM-CQSZACIVSA-N 271.187 4.795 30 10 CJEE CC(C)C(OC[C@](C)(CS)C(C)(C)C)C(C)C 2307109675 PDQIERQDDPPERB-OAHLLOKOSA-N 260.487 4.666 30 10 CJEE CCCCCCCN(C)[C@H]1CC[C@]2(C(C)C)C[C@H]12 2310133792 BYMRBQZHDVSLGE-IXDOHACOSA-N 251.458 4.713 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@](C)(CC)C(F)F 2315011310 KTKRNGGXVSUGSC-UKRRQHHQSA-N 261.400 4.782 30 10 CJEE C#CC[C@H](C)C[C@H](NC)c1ccc(Cl)c(Cl)c1C 2316941950 DTSXFNAWMRYROU-HZMBPMFUSA-N 284.230 4.612 30 10 CJEE CC(C)(CS)COc1ccc(C(F)(F)F)cc1Cl 2318495959 HQTHYSVARXGGFK-UHFFFAOYSA-N 298.757 4.694 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2320193995 BMMGMUOQUDLLOK-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCC[C@](C#N)(CC)CC1(C(C)(C)OC)CC1 2320636384 BAQDFBLZPPBIMC-OAHLLOKOSA-N 251.414 4.692 30 10 CJEE C=CCC(C)(C)[C@H](CCCCC[C@@H]1C[C@@H]1C)NC 2321112622 HLUKRGMLIXKPLM-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CCC[C@H]1CC1(C)C)NCCC 2321129538 BTZKCBCWVLQCFC-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1CC2CCC1CC2 2321229150 SGXDEZSDZUTKCG-ZKLCHKPXSA-N 250.426 4.556 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329198436 OORGDBPNLYWXQY-NFAWXSAZSA-N 272.379 4.988 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccc(C)c(C)c1 2335097370 WXTIOSAQOSFGIM-QGZVFWFLSA-N 275.461 4.557 30 10 CJEE Cc1nc(SC[C@H]2CC[C@H](C)CC2)c(Cl)cc1C#N 2335379937 DDSVIFNIJPCBOU-UMSPYCQHSA-N 294.851 4.834 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1 2337168185 ZWSHPYXFGMZIDN-PNKHAZJDSA-N 261.453 4.537 30 10 CJEE CCC(CC)CC[C@]1(C=O)CCc2ccccc2C1 2338165503 UDKIIRRMHMQJDL-SFHVURJKSA-N 258.405 4.577 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC(C)C)CCC[C@H]1C 2338727252 JIKNBSKBPZJQIV-SJLPKXTDSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cscc1OC 2338749965 NYLYUEWLLYVADP-INIZCTEOSA-N 279.449 4.566 30 10 CJEE CCCCCCCCC[C@@](C)(CCSC)OCCN 2340106544 ABFVAPGAZXAOCU-INIZCTEOSA-N 289.529 4.614 30 10 CJEE C=CCCCC[C@H](NCC)c1cccnc1C(C)C 2342169169 AKSSFLKSZYGTRA-INIZCTEOSA-N 260.425 4.602 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(C)cc2SC)CCC1 2342384321 DKNNFUVPXGWPJY-OAHLLOKOSA-N 275.461 4.724 30 10 CJEE CCCC[C@@](C)(C=O)Cc1cccc(C2CCC2)c1 2343808873 WBUXNHTZGZQXKG-GOSISDBHSA-N 258.405 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C(C)(F)F)CCC1)NCC 2344354868 DAJDCZQFEFTCCB-CYBMUJFWSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc2ccoc12 2344386387 WFJWUXHIZDARMV-INIZCTEOSA-N 257.377 4.686 30 10 CJEE CN(Cc1ccccc1Cl)C[C@](C)(CS)C(C)(C)C 2352078328 HEDHVMFDVDCZGI-MRXNPFEDSA-N 299.911 4.754 30 10 CJEE CCN[C@H](CC#CC1CC1)c1c(Cl)cc(C)cc1Cl 2353056401 IJJHKRFCIHCBAZ-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE CSc1cc(N[C@H]2CC[C@H](C(C)C)C2)ccc1C#N 2353827487 ZJQZJXNLNAZKMJ-JSGCOSHPSA-N 274.433 4.517 30 10 CJEE C=CCCCCCCN(C)C[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358286408 MOKKIZRBSHQGDH-JYJNAYRXSA-N 285.422 4.736 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccccc1C(F)(F)F 19922101 WWIJVOPIFOJQBL-LLVKDONJSA-N 290.288 4.750 30 10 CJEE CCc1sc(N)c(C#N)c1-c1ccc(C(C)(C)C)cc1 33501143 AZYHIWQAXLICPJ-UHFFFAOYSA-N 284.428 4.729 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)CC2CCCCC2)cc1 36931473 FSGFMZIYIFBZQT-SFHVURJKSA-N 283.415 4.957 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccccc1Cl 37937301 ACOLHTIZKMWVOL-CQSZACIVSA-N 277.154 4.670 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1csc2ccccc12 54465013 LJGZVSNCEACNIF-INIZCTEOSA-N 284.428 4.778 30 10 CJEE COc1ccc(F)cc1[C@H](C#N)Cc1c(C)cc(C)cc1C 57760853 DHUQUMCCIHQXPY-HNNXBMFYSA-N 297.373 4.609 30 10 CJEE CCc1ccc2ncc(C#N)c(Nc3ccc(C)cc3)c2c1 64438741 RUUPEFYDIAOGKN-UHFFFAOYSA-N 287.366 4.721 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cc2)CCc2ccccc2C1 87998255 RCQUIFMSTAJJKK-SFHVURJKSA-N 281.786 4.581 30 10 CJEE CC[C@H](CC#N)Sc1ccc(Cl)c(Cl)c1 88304076 ZYACWJFYYVENFD-MRVPVSSYSA-N 260.189 4.778 30 10 CJEE Cc1cc(OCCCCCCS)cc(C)c1Cl 94584461 NFOBCCDJKHKRND-UHFFFAOYSA-N 272.841 4.826 30 10 CJEE Cc1ccc(C(C)C)cc1OCC[C@@H](C)CCS 94585481 VLHGPQUXOAGNAF-CYBMUJFWSA-N 266.450 4.843 30 10 CJEE C=CCOc1ccc(CNCC(C)(C)CCCCC)cc1 94984405 WBMGCLAZRXRCCY-UHFFFAOYSA-N 289.463 4.948 30 10 CJEE C=C1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 96031113 CDCQHKMEOJJEBD-XHHHBCLVSA-N 286.459 4.866 30 10 CJEE in-vitro C=C(CC)C[C@H](NCCC)c1ccccc1Br 97208572 STAMBVRXWRJUFT-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C=CCCC[C@H](CCc1ccccc1C)NCCC 97220160 GWJWLLIASHYTHK-GOSISDBHSA-N 259.437 4.652 30 10 CJEE Cc1cc(C)c(C(=O)/C=C\c2ccc(F)cc2)c(C)c1 98025482 MYCAHJZEGJGXTO-TWGQIWQCSA-N 268.331 4.647 30 10 CJEE CCCCCCCCCCOc1ccc(CN)cc1 103944354 BBCGSUDNUIDMOD-UHFFFAOYSA-N 263.425 4.665 30 10 CJEE CCCCN(CCCC)c1ccc(C#N)cc1Cl 104008134 ZJGBJHSOINJSMJ-UHFFFAOYSA-N 264.800 4.618 30 10 CJEE CCCCCCCOCc1cc([C@@H](C)O)ccc1OCC 105875040 PWDZUXMOPKMBSF-OAHLLOKOSA-N 294.435 4.626 30 10 CJEE CC#CCCc1cc(Cl)cc(C(C)C)c1OCC 107633003 QJLPZDRYGSSXEE-UHFFFAOYSA-N 264.796 4.818 30 10 CJEE Cc1ccc(C#N)c(Nc2ccccc2C(F)(F)F)c1 110251459 DZRUVODFKNHVPS-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2cccc(C)c2)C1 110263472 PGPRSSVCZJIDQO-NZSAHSFTSA-N 284.447 4.535 30 10 CJEE CCCCCCC[C@@](C)(Nc1cccc(F)c1)C(=O)OC 110320488 ARRJHJDPHQNVHV-QGZVFWFLSA-N 295.398 4.530 30 10 CJEE Cc1ccc2[nH]c(Sc3ccc(C#N)cc3Cl)nc2c1 110354540 UHRSXXYXKFASHM-UHFFFAOYSA-N 299.786 4.548 30 10 CJEE CCCCCCC[C@@H](Cc1cc(F)cc(F)c1)NCC 110916134 IAAMSBXTGRINOK-KRWDZBQOSA-N 283.406 4.846 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1ccc(F)cc1Cl)C(C)(C)C 111650662 JCCOZSBNHPQGMT-MFKMUULPSA-N 295.785 4.728 30 10 CJEE CCCCCCCCN1CCCCC[C@H]1C1CCNCC1 114046765 VVQYBQOVWAKCDL-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCCCN1C[C@H](CC(C)C)NC[C@@H]1C 114064058 MWZVLMDAFQENSS-OALUTQOASA-N 296.543 4.836 30 10 CJEE Cc1cccc(CC[C@H](C)Nc2cc(C#N)ccc2Cl)c1 127812199 KLXGMWVGIRTRQJ-AWEZNQCLSA-N 298.817 4.953 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1cc2c(s1)CCCC2 129314200 NZQZVPFDRFFYKE-LBPRGKRZSA-N 282.412 4.672 30 10 CJEE Cc1ccc(NC2(C#N)CCC3(CCCC3)CC2)cc1 129608713 MBPFRERGUKMCRC-UHFFFAOYSA-N 268.404 4.804 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CCOC1 129958346 UMZVCEHGLRMWGU-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCn1ccc2sccc2c1=O 130587372 LFAAPIVRLXMGFL-UHFFFAOYSA-N 277.433 4.814 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1ccc(Br)cc1 132724091 TYSPSHNGNLTXRE-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE CCSc1cccc(Nc2ccc(F)cc2F)c1C#N 136613032 NPPDCAYBELEIPM-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE CCSc1cccc(Nc2cc(C)cc(F)c2)c1C#N 136679257 PYNUBLBCRQCBOT-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCCCCCCCC[C@H](NC)[C@](C)(CC)OC 163435742 JJWLFULOAZYJAK-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCOc1c(F)cccc1CNCCC 165325344 HHESDLGUKIUJLY-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE N#C[C@H]1CCCC[C@H]1SCc1ccc(Cl)cc1 165997123 IFFYEEJLGMIQPV-TZMCWYRMSA-N 265.809 4.656 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)(C)C 227926140 NRLJVMFVIHWQFU-RCCFBDPRSA-N 277.496 4.867 30 10 CJEE N#CCc1ccc(OCc2cccc(Cl)c2Cl)cc1 228814327 KCRZNETYXPJOGE-UHFFFAOYSA-N 292.165 4.638 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 230988024 PQMSVFSWSDWYEP-OCCSQVGLSA-N 276.811 4.838 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1C[C@H](N)CC 233878589 RONLBHXRDCOCCR-OAHLLOKOSA-N 295.854 4.745 30 10 CJEE N#Cc1ccc(NCc2coc3ccccc23)c(Cl)c1 236030496 GWSIXINANOHWPE-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE C=CCCCn1ccc2c(Cl)cc(Cl)cc21 236060173 SFTIMYHYONCYRQ-UHFFFAOYSA-N 254.160 4.914 30 10 CJEE N#Cc1ccc(Oc2cccc(F)c2)c2ccccc12 236206097 AZVVIYZHLLQILY-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1C[C@H]2CC[C@H]1C2 250829623 PWQLDPNKHGJFLW-LTIDMASMSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1C[C@@H]2C[C@@H]2C1 252906228 UCDAOOGXRKMWTM-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE N#Cc1ccc(Oc2nc3ccccc3s2)cc1Cl 302577581 SDOBRGQYSOPKFD-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](CC)CC(C)C 308095383 LVXPSZLRTHQZKR-IRXDYDNUSA-N 265.485 4.867 30 10 CJEE CC(C)C[C@@H](C)CNc1ccc(C(F)(F)F)cc1C#N 312172448 ZVOYXRIQKLVOCU-LLVKDONJSA-N 284.325 4.671 30 10 CJEE C=CCCCCCNCc1cc(Cl)sc1Cl 312758126 RBWMLUOYAUFLDJ-UHFFFAOYSA-N 278.248 4.891 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCC12CCCCC2 313044708 TWSGHPYSDIFVRR-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CC(C)[C@H](C)[C@H](C#N)Sc1ccc(Br)cc1 319847356 MWKUPZKTAMNLKC-GWCFXTLKSA-N 298.249 4.725 30 10 CJEE N#CC1(Cc2cnc3ccccc3c2)CCCCCC1 380233818 LMWPMJIYQVZRRT-UHFFFAOYSA-N 264.372 4.641 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@@H](OCC)C1(C)C 381025616 CRUVOYJXBHUZIM-OWCLPIDISA-N 269.473 4.516 30 10 CJEE CCCN(Cc1ccccc1)CC1(CS)CCCCC1 384401749 ARZUUZATEBJTTD-UHFFFAOYSA-N 291.504 4.779 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H]1CCOC2(CCCCC2)C1 384820548 FAZZJZIIFXNIAF-NUJGCVRESA-N 275.436 4.836 30 10 CJEE CO[C@](C)(C[C@@]1(C#N)CCCC[C@@H]1C)c1ccccc1 384843116 JLYGOLSWIUWQEG-CGTJXYLNSA-N 271.404 4.658 30 10 CJEE CC(C)[C@@H](C#N)CNc1cc(Cl)cc(C(F)(F)F)c1 397515086 RWJLFTDZGGUTTB-VIFPVBQESA-N 290.716 4.566 30 10 CJEE CCCCCCCCNCCC(C1CC1)C1CC1 400814318 ZDYZZQKHKONNMF-UHFFFAOYSA-N 251.458 4.763 30 10 CJEE CCCCCCCC[C@@H](CC(F)(F)C(F)F)NC 400814538 APEXUJUTEWARMN-NSHDSACASA-N 271.342 4.616 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)CC(F)(F)F)NN 402745087 SOWCWDMQGNZDRL-CHWSQXEVSA-N 282.394 4.548 30 10 CJEE CCCCCCCCCNC[C@@H]1CC[C@H]2C[C@@H]2C1 403469721 OGKDSMCENMJCAM-IKGGRYGDSA-N 251.458 4.763 30 10 CJEE N#C[C@H](CNc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 404236567 AYDRBJNSRQJZIT-MRVPVSSYSA-N 289.593 4.608 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C1CSC1 404605648 BZJPRHVDEXYTMA-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE C[C@](C#N)(Cc1ccc(Cl)c(F)c1)c1ccccc1 405701924 PLCBFCCIFVTRIT-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE C[C@H]1CN(Cc2ccccc2)[C@@H](C)C/C1=N/c1ccccc1 585666878 UNELJYXELGIDJV-ZVDNPCSMSA-N 292.426 4.690 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@@H](C(C)C)CC1 686682991 ROKREIXUCKOOTD-SJORKVTESA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@@H](CC(C)C)C1 686683093 FNVCOLXJVJWQQB-IRXDYDNUSA-N 250.426 4.538 30 10 CJEE CN(Cc1cccc(Cl)c1Cl)C1(C#N)CCCCC1 690469265 JUZBFTGCNUBQDF-UHFFFAOYSA-N 297.229 4.652 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)c(F)c1 692234377 IQHWTYIJGUFPFG-XNJGSVPQSA-N 279.374 4.750 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncnc(Cl)c1C(C)C 692240732 DIVHCXSXGWTJQH-QWHCGFSZSA-N 293.842 4.800 30 10 CJEE CCC1CCC(C#N)(CCOCC2CCCC2)CC1 693048934 WXJBRDZFGXDDTL-UHFFFAOYSA-N 263.425 4.693 30 10 CJEE C=C(C)[C@H](NCCC)c1cc2cscc2s1 694428444 WEQHRRRASQWDOZ-ZDUSSCGKSA-N 251.420 4.580 30 10 CJEE C=CCCSCCN[C@@H]1CCCC[C@H]1c1ccccc1 696062740 OKBFXLGZTOYWJH-ZWKOTPCHSA-N 289.488 4.612 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CC1(F)F)NCCC 701984254 MLNPYKOKASEURB-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCc2sc(Cl)cc21 704037124 AWZNFNDAHOSUGF-LBPRGKRZSA-N 283.868 4.971 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709383089 STVLYJYPYBATPY-RISCZKNCSA-N 294.782 4.795 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1(c2ccccc2)CCC1 710593723 XCUWEEODQRNHSK-INIZCTEOSA-N 277.839 4.619 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(C(F)(F)F)c2)cs1 710841119 DZGIQRKEKYQLAR-UHFFFAOYSA-N 282.290 4.691 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c(Cl)c1 714277420 SYXUXQAAKGTFFX-UMVBOHGHSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(F)cc1F 715811387 CFDSOIIOXGSMHF-BZNIZROVSA-N 267.363 4.526 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CC(C)(C)CO1 717095325 RGMXQFSZGLPCAT-CVEARBPZSA-N 270.457 4.693 30 10 CJEE C#CCCC[C@H](NCCC)c1cscc1C(F)(F)F 717178194 OBYLFNNJJQHXBY-ZDUSSCGKSA-N 289.366 4.611 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)CC=C(C)C 719624031 LSHUFCAVLAMEAJ-INIZCTEOSA-N 267.457 4.770 30 10 CJEE C=C1CCC(COc2cc(C)ccc2Cl)CC1 724573845 WLPNLABIHCSMCY-UHFFFAOYSA-N 250.769 4.774 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@]12CCCC[C@H]1C2 822079910 DZCKYXPPOHUGKU-OKZBNKHCSA-N 280.500 4.929 30 10 CJEE C=CCC(CC=C)C(=O)Oc1c(C)cc(Cl)cc1C 1124301419 ZEWRTMUUCXOUOC-UHFFFAOYSA-N 278.779 4.631 30 10 CJEE C#CCCCCC(=O)OCCCc1cccc2ccccc12 1126347279 SWMPPXJMWQCYOI-UHFFFAOYSA-N 294.394 4.509 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccccc1 1132949179 WOFVRVBAAHSIST-QZTJIDSGSA-N 297.442 4.781 30 10 CJEE C=C(CC)C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1136305017 WMSGQNDFJBYCBU-AWEZNQCLSA-N 298.213 4.623 30 10 CJEE C=CCN(CCc1ccco1)[C@H](C)c1ccccc1Cl 1168578838 FROQZTNYGFBVBH-CQSZACIVSA-N 289.806 4.725 30 10 CJEE C=CCCCCN1CCc2ccc(Cl)c(Cl)c2C1 1171820922 UOCGKGJULVWKQY-UHFFFAOYSA-N 284.230 4.708 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1nccc2ccccc12 1207735425 FETPIAXRXTWDEX-HNNXBMFYSA-N 268.404 4.584 30 10 CJEE C=CCC1(CNC(=O)C[C@H](CC)C(C)(C)C)CCCC1 1272427276 UTEYKONBVMIHCU-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE CCCC(CCC)C(=O)N(c1cccc(C#N)c1)C1CCC1 1279139263 FBQMLTCIUXECCX-UHFFFAOYSA-N 298.430 4.660 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C(C)C)c1 1310031867 BSXPFYYGWIWEGH-QGZVFWFLSA-N 286.419 4.773 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](CCC)CC(C)C 1349893532 IRUIJBWJMFRGLB-GOSISDBHSA-N 287.447 4.664 30 10 CJEE C=C(C)CN(CC)C(=O)[C@@H](CCC)CC1CCCCC1 1352045851 CQGFZDORKUDHOQ-KRWDZBQOSA-N 279.468 4.798 30 10 CJEE C=CCC[C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1 1354112343 XYJANMXHHAUAQT-QGZVFWFLSA-N 283.346 4.514 30 10 CJEE C=C(C)CCC(=O)OCc1ccc([C@H](C)CC)cc1 1357673597 XWLCWBYJEZVFMZ-CQSZACIVSA-N 260.377 4.600 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CCCCC1 1435087603 KZUZLADHVQSWSR-IAGOWNOFSA-N 291.479 4.844 30 10 CJEE C=C(CC)C(=O)N(CC(C)C)[C@H](C)c1ccccc1C 1449371558 MQCHMTGZQLLGCF-MRXNPFEDSA-N 273.420 4.507 30 10 CJEE C=CC[C@@H](C)Sc1nnc(-c2c(C)cc(C)cc2C)o1 1458940871 MTQAPWCHJLGPLQ-CYBMUJFWSA-N 288.416 4.719 30 10 CJEE C=CC1CCN(CC2CCC(C(C)(C)C)CC2)CC1 1459488429 LRJWIHQESSEGRH-UHFFFAOYSA-N 263.469 4.737 30 10 CJEE C#CCCCCC(=O)NCc1ccc(C2CCCCC2)cc1 1460325200 YFHXFMSLGDBZGG-UHFFFAOYSA-N 297.442 4.544 30 10 CJEE C=CCCC[C@@H](C)NC/C=C\c1cc(C)c(C)cc1C 1461392065 PQUWMNVOTLRPKS-LECLMCCNSA-N 271.448 4.959 30 10 CJEE CCCCCCCCN(Cc1ccc(C)o1)C1CC1 1473109777 WWKUQIQOHKUHOL-UHFFFAOYSA-N 263.425 4.913 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1474477460 MLPUBBLXHMSGGW-QAETUUGQSA-N 251.458 4.783 30 10 CJEE C[C@H](OC(=O)CC1CCCCCC1)c1cccc(C#N)c1 1516881918 DAHNSRQCPSFYSW-AWEZNQCLSA-N 285.387 4.523 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(C2CCC2)c1 1523849742 YQFVIQGKPDWSPM-UHFFFAOYSA-N 269.388 4.661 30 10 CJEE C=CCC1(C(=O)Nc2cccc(F)c2Cl)CCCC1 1525315557 ZWCDPHLJNNCKNU-UHFFFAOYSA-N 281.758 4.554 30 10 CJEE C=C(C)C(C)(C)C(=O)N(C)Cc1oc2c(C)cccc2c1C 1527574269 HNHQFCZIDJLOFW-UHFFFAOYSA-N 299.414 4.610 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1534975355 XKJBNTJUKSCKQX-CVEARBPZSA-N 293.495 4.948 30 10 CJEE C=CCCCCCN(C)C(=O)[C@]1(c2ccccc2)CC1(C)C 1538733317 LGQFPWQGYPPCNH-HXUWFJFHSA-N 299.458 4.559 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)CCC=C(C)C)c1ccccc1 1543755899 SLSDRCIQOSLGQG-MJGOQNOKSA-N 299.458 4.988 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc2cccc(F)c2o1 1559235452 SPVISGGXFNETPI-DGCLKSJQSA-N 274.339 4.514 30 10 CJEE C=CCC1(C(=O)N(C)CCCc2ccccc2)CCCCC1 1584166252 CCXUUIPINSPWPI-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CC(C)(C)C1CCCCC1 1586809019 SGHSEXVEXCQZAF-CALCHBBNSA-N 289.463 4.693 30 10 CJEE C=CCC(CC=C)C(=O)OCc1csc2ccccc12 1596050180 HXLNVHDYEODHOQ-UHFFFAOYSA-N 286.396 4.713 30 10 CJEE C=C(C)CCN(CCCC(C)C)Cc1ccc(C)o1 1620581732 MIZKELYVKPXAFB-UHFFFAOYSA-N 263.425 4.792 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cccc(F)c2SC)C1 1621435775 JOHYGRABARWWEB-NEPJUHHUSA-N 265.397 4.704 30 10 CJEE 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N#CCc1ncc(-c2cccc(Cl)c2Cl)cc1Cl 1848376907 RGYVDPNNZHPARV-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)OC(C)(C)C 1876957984 APVOBTMKBNTCTJ-HOTGVXAUSA-N 271.489 4.919 30 10 CJEE C=C1CC([C@H](C[C@H]2CC[C@H](CCC)CC2)NCC)C1 1878290198 LKRZDCUYPNAYGH-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CC#CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 1879644103 MKFWQXHSMMHBPF-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1883319827 NBADXSFLVMJFHC-KFWWJZLASA-N 273.411 4.713 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(C)cc1C 1885264143 HCDNUPKLIDCDBQ-SFHVURJKSA-N 257.421 4.538 30 10 CJEE C=CCCCc1ccc(OCc2ccccc2)cc1 1886861524 WIAIHRXFTZBGDZ-UHFFFAOYSA-N 252.357 4.774 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C1(C)CCC(C)CC1 1887466297 ZIEAVWSRLANIOJ-UMQBVGHOSA-N 263.469 4.621 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H](C)c1ccccc1 1892495833 QEXOCIQPNXCEOB-GOSISDBHSA-N 279.427 4.868 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H](C)COCc1ccccc1 1892716667 CKQMHMMCLGNBMY-NEWSRXKRSA-N 290.447 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C=C([C@H](NCCC)C1C2(CCC2)C12CCC2)[Si](C)(C)C 2203963641 CFJSUXZHJKWNLY-HNNXBMFYSA-N 291.555 4.759 30 10 CJEE C#C[C@@H](N[C@@H](CCCC)c1ccccc1)C1CCCC1 2204030031 ZTPGKQYDFRUVSU-MOPGFXCFSA-N 269.432 4.700 30 10 CJEE O=C[C@@]1(C(F)(F)F)C[C@H]1c1ccc(-c2ccccc2)s1 2206187000 MVBMNUCVQOVNOO-FZMZJTMJSA-N 296.313 4.650 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H](O)c1cc(C)cs1 2206886851 VMYMGCDVKHIFRJ-DOTOQJQBSA-N 295.492 4.595 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](CC)CC1 2206889398 ARTKJQWVMMUCME-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)[C@H](N)CCC2 2206894919 OVQSYPJLQPUNPP-GOSISDBHSA-N 273.420 4.538 30 10 CJEE C=CCCCCCC[C@H](N)[C@@]1(O)CCCC(C)(C)CC1 2206903523 SULZNXJIDHFLCU-FUHWJXTLSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)C1(CC)CCC1 2207385808 QSBLZCBHPKPIHC-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C[C@H](C)O[C@H]1C 2207396519 MDYLTCYDSRGQQI-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@]1(O)CCOC12CCCC2 2207397254 ROXDKQGEARUSRM-KRWDZBQOSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCC[C@H](O)C(CC)(CC)N(C)C 2207401943 GQEKZJYUHJOAIG-KRWDZBQOSA-N 283.500 4.775 30 10 CJEE C=CCCCCCCCCC[C@@H](CCN(C)C)NCC 2207429699 LWELIIDTTOMMIM-SFHVURJKSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H](O)CC1(C)C 2207435052 FCLIDYDYYNDLMT-QGZVFWFLSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)[C@@H]1CCCC(C)(C)C1 2207453934 QITKPGHETPKWBM-IKGGRYGDSA-N 283.500 4.642 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](C)c1ccc(Cl)cc1Cl 2219205570 IAAFOTARNIFBAV-WCQYABFASA-N 284.230 4.692 30 10 CJEE N#Cc1ccc(CSCCCCCC2CC2)cc1 2220024592 HDGRVKDKGZKERP-UHFFFAOYSA-N 259.418 4.762 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(C)CC(F)(F)C1 2220093049 PIQXDDNGLNUSNW-CYBMUJFWSA-N 260.368 4.699 30 10 CJEE CCCCCCCC[C@@H](C)NCCC1(F)CCC1 2223849596 CTPGQYWTHZULNL-OAHLLOKOSA-N 257.437 4.997 30 10 CJEE C=CCCCCCCCCOCc1ccsc1CN 2225683217 BEGHFNHZMFAAAO-UHFFFAOYSA-N 281.465 4.640 30 10 CJEE N#C[C@]1(C/C=C/c2ccccc2)CCCC(F)(F)C1 2226210331 JSQQBZKSUSICPK-SGJXGLNRSA-N 261.315 4.809 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1CCC=CO1 2227269474 AGQPWXUZQDIXBW-IAGOWNOFSA-N 265.441 4.574 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2227269643 AQKXXSZAFZFNKF-ZQDZILKHSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCC=C1CC[C@H]2CCCN[C@H]2C1 2227273792 SRQRCRPOQLUEFP-MSOLQXFVSA-N 261.453 4.992 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@H](C)CC(C)C 2227280226 AYXPVQRPRFDGLI-NVXWUHKLSA-N 268.441 4.515 30 10 CJEE CCC(C)(C)CC(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227502687 YQZRVACJLMPEMW-LLVKDONJSA-N 298.213 4.996 30 10 CJEE CC1(C)CC[C@@H]1C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2227502714 ZBUHRDOEACMKRR-WDEREUQCSA-N 296.197 4.606 30 10 CJEE CCCCCCCC[C@H](N)c1ccnc(C(C)C)c1 2228155936 IRECFVWIWRXYRA-INIZCTEOSA-N 262.441 4.955 30 10 CJEE CCCC[C@](C)(C#N)[C@@](C)(O)c1cc(C)cc(Cl)c1 2229573521 DXZJZDQVBGVRRO-CVEARBPZSA-N 279.811 4.576 30 10 CJEE C=CCC[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NCC 2230661437 KGEYJWJDJSWSHY-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCO[C@@H](C)CCNC(C)C 2231025998 GTHWZWYCQIYYLY-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCOc1cncc(NC)c1 2231036030 OYQQGKQJDJWBFN-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H](OC)C1(C)C 2231946068 MLAUTCXEWJIAGY-HRCADAONSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H](C)c2ccc(C)cc2)CC1 2232085968 NXLLDWMXCTVWIE-MAUKXSAKSA-N 257.421 4.562 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@H]2C(F)(F)F)CC1 2232562676 FZPSRYNGZRSOOU-KFWWJZLASA-N 289.385 4.690 30 10 CJEE C=C[C@](N)(CC1C[C@H]2CCC[C@H](C1)C2)c1ccccc1 2233575182 PEEUPNPXSNIIMN-BXWFABGCSA-N 269.432 4.633 30 10 CJEE C=CCCCCCCCCOC[C@H](NCC)[C@@H](C)CC 2234042787 GMBCUHFDNSCMAG-ROUUACIJSA-N 283.500 4.944 30 10 CJEE CN(CCCCCCC1CC1)[C@@H]1CCCCC[C@@H]1C#N 2234087249 NBMNAKPPJHNNJQ-QZTJIDSGSA-N 276.468 4.751 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H](OC)C1 2235518535 HQLLCDZXZYJTTE-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](CC1CCOCC1)NCC 2235520279 XTTPOQRHHJWNSQ-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCOC12CCCC2 2235520489 ZYVXUCZJCPERSC-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCNC[C@@H]1C(F)(F)C12CCCC2 2235524405 PQTHMNGMJVQBIO-HNNXBMFYSA-N 285.422 4.928 30 10 CJEE CN(c1ccc(C#N)cc1)[C@@H]1CCC[C@H](C(C)(C)C)C1 2238155033 GMISQIKDCXTTQA-DOTOQJQBSA-N 270.420 4.599 30 10 CJEE CCCCCCCCCO[C@H](CNC1CC1)C(C)(C)C 2239461210 CTFNDMXLRGLHNH-QGZVFWFLSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCOC1(CC(=O)O)CC1 2239491444 AJNKFULHSOICRI-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE C=C[C@H](CCCCC)OCCC[C@@H](NC(C)C)C(C)C 2239504684 ZNGJXVCEOBYDMR-QZTJIDSGSA-N 283.500 4.941 30 10 CJEE C=C[C@@H](CCCCC)Oc1ncc(CN[C@@H](C)CC)s1 2239506085 WHLLWPGANAXTSZ-KBPBESRZSA-N 296.480 4.545 30 10 CJEE CCCCCCCCCCOCc1cccc(CO)c1 2239507712 NRWVPAATYUSOGC-UHFFFAOYSA-N 278.436 4.836 30 10 CJEE CCCCCCCCCCCO[C@@H]1CCNC[C@@H]1CC 2239547585 AVYGIOMYMHLSHR-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCOCc1csc(=N)[nH]1 2239551356 SDZNBENRTJBTNI-UHFFFAOYSA-N 298.496 4.993 30 10 CJEE CCCCCCCC[C@](C)(OC1(C)CCCC1)C(=O)O 2240613585 KMIFLCBFHDZTEL-KRWDZBQOSA-N 284.440 4.930 30 10 CJEE CCCCCCCC[C@@H](C)NCCc1nc(C)oc1C 2240650854 UKLFREQRFIBQFP-CQSZACIVSA-N 280.456 4.563 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1coc2ccccc12 2241137828 ARZKSMAQJWPXDM-CABCVRRESA-N 271.404 4.556 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1cc(Cl)c(Cl)cc1C 2243864934 SZBJJPJQSNXCQV-ISVAXAHUSA-N 259.176 4.547 30 10 CJEE COC(C)(C)CSCCCCCCCCCS 2247001336 XTYYMZVGFNHFPU-UHFFFAOYSA-N 278.527 4.805 30 10 CJEE CC#CCCCCNc1cc(Cl)c(Cl)cc1C 2247672111 SYFAXFJRGXPOFC-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE CCCCCCC[C@@H](N)c1csc(C2CC2)c1 2248045681 YHKMREATXFTCES-CQSZACIVSA-N 251.439 4.986 30 10 CJEE C=C(C)CCCC[C@H](N)c1ncc(Cl)cc1Cl 2250156054 IFVLNJUZBMPNKE-LBPRGKRZSA-N 273.207 4.525 30 10 CJEE Cc1sc(Cl)cc1[C@@H](N)CC=CC#CC(C)(C)C 2256705183 VTHAJFTUUHGLIV-ZDUSSCGKSA-N 281.852 4.706 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(OC)cs1 2259232316 ZBFIFFGUKHMECX-CQSZACIVSA-N 267.438 4.544 30 10 CJEE CCCCCCCC[C@H](NC)[C@]12CCC[C@@H]1CC2 2260500508 KUGXCULHTJWCBU-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CSCC1(C[C@]2(C=O)CCCC(C)(C)C2)CCC1 2260966229 TZEBHLUMGKCOKF-INIZCTEOSA-N 268.466 4.695 30 10 CJEE CCCCCCCCC[C@](C)(N)Cc1nccs1 2263676390 WDNGZXJFHANWAK-HNNXBMFYSA-N 268.470 4.544 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)N)c(C)c1 2268016238 KZUAWQMHZZDMFJ-OAHLLOKOSA-N 263.425 4.754 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1csc(C)c1C 2268755727 WQIXXPJIGBIWPW-INIZCTEOSA-N 275.461 4.621 30 10 CJEE COc1ccc(Cl)c(F)c1CC=CC#CC(C)(C)C 2268765538 HVBILJPDFJDGLJ-UHFFFAOYSA-N 280.770 4.636 30 10 CJEE C#CC[C@@H](CC(=O)c1cc(Cl)c(Cl)cc1C)C1CC1 2270970359 RUXGIFQYALMTLX-LBPRGKRZSA-N 295.209 4.924 30 10 CJEE C=CCCCCCCCS[C@@H](CC(C)C)C(=O)OC 2271494385 YIMSQWMAXABDKW-HNNXBMFYSA-N 286.481 4.834 30 10 CJEE C=CCCCCCCCSC[C@H](N)C1CC(F)(F)C1 2271592454 WCRQHOCLRJHOPY-AWEZNQCLSA-N 291.451 4.619 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](CCC)COC 2271781047 KVWCEVBSWHPZLR-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=C1CC([C@@H](NC)c2cccc(C3CCCC3)c2)C1 2273614512 YJXJIPPGXXIZOV-SFHVURJKSA-N 255.405 4.571 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC(C)(C)CC 2273969232 OMSZCPLUKKWQAZ-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1(C)CCCCCC1 2274132496 SGDAQFZUSAVZJB-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](CCC(C)(C)C)OCCCN 2276406590 NVFARUFGNWZKKK-INIZCTEOSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@H](N)C#Cc1ccccc1Cl 2277853408 STAURXIAEIESAB-INIZCTEOSA-N 277.839 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC1(C)CC(C(F)(F)F)C1 2279381753 KIBYWSHFWSGQDL-FEWQNLEASA-N 289.385 4.690 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(Cl)c1OC 2283171168 DZBSWNKZKSCPSB-INIZCTEOSA-N 293.838 4.583 30 10 CJEE CCCCCCCCCCOC[C@@H]1CN[C@@H](C)C[C@@H]1C 2284024167 BPPCAOZSFYRZMH-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C1(C)CCCC1 2284095979 PLJZKMPPLDMNMT-KRWDZBQOSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C(=O)O)CCC=CCCC1 2284181761 WDTYGAIUGQXQQM-SFHVURJKSA-N 274.404 4.574 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1ccn(CC)n1 2285096675 OHWWHWYSUTXSFD-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE C=CCCCCCCCSc1cc(C)c(CNC)cn1 2287075204 LQWLMWICTQBCNZ-UHFFFAOYSA-N 292.492 4.728 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CSC1CCCC1 2289714795 XDMUTQYBJWYXIX-KRWDZBQOSA-N 293.520 4.614 30 10 CJEE C=CCCC[C@@]1(OCCCN)CCC[C@@H](CC(C)C)C1 2292726319 IRMOJBYFZVSTBU-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCCC12CCCC2 2292884316 FGIJBLYXKTXRBI-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@@H](OCCN)c1ccc(C(C)(C)C)s1 2293301988 VEEZKRHKZORUAJ-CQSZACIVSA-N 295.492 4.808 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC(C)(C)C1(C)C 2293367211 BDDLVOMVDSVSIS-GOSISDBHSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@@H]1C)OCCCN 2293601445 UNGWQTDJCPWQNY-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1CCC[C@H]1F 2294331040 OYEYHCDZDGGDKR-ZACQAIPSSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC12CCCC2)OCCN 2294409904 MFANJEHKCFGPLZ-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@]1(OCCCN)CCC[C@@H](CCC)CC1 2294537968 HTPRETYDUWSDPC-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc2cc(Cl)ccc2n1 2294974562 OXZFLYKENIAQHL-SJKOYZFVSA-N 288.822 4.751 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccc2cc(Cl)ccc2n1 2294976764 MTSQFBPYZKERMC-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@@](C)(C(C)C)O1 2295674931 WPLSCCDUMDJPJX-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCC#CC[C@](N)(c1ccccc1)C1CCCC1 2295769315 RRMOAQQPUQVICB-IBGZPJMESA-N 269.432 4.615 30 10 CJEE C=C(C)[C@H](NC)c1cc(C(F)(F)F)ccc1C(F)(F)F 2295820314 BTMFGYNSBBHPQU-NSHDSACASA-N 297.242 4.561 30 10 CJEE CCOC(=NSc1ccc(Cl)cc1)c1ccccc1 2297312694 JQDGORDGTMCXAB-UHFFFAOYSA-N 291.803 4.830 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)cc1Cl 2304035858 PWNXSEDKWIMXNO-CYBMUJFWSA-N 272.219 4.856 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cc(Cl)c(C(F)F)s2)C1 2304538863 GOGFQQUBCYQCPA-LURJTMIESA-N 276.735 4.722 30 10 CJEE Cc1ccoc1CSC[C@](C)(CS)C(C)(C)C 2307092411 CLIUMXPCOYLMIB-AWEZNQCLSA-N 272.479 4.803 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]21 2308619548 CXYDCRMWJSNUNV-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2C[C@H]12 2308626121 OVDLAGJXXYJBFC-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)N)cc1C 2313695302 LTLBWVTUGCMFKE-CYBMUJFWSA-N 261.434 4.628 30 10 CJEE CS[C@H]1C[C@@H](CC2(C=O)CCC(C(C)C)CC2)C1 2314153556 JYSNIYNQWZLOLF-KTKMLWKQSA-N 268.466 4.550 30 10 CJEE CC(C)(C)[C@H](CS)COCCCCCC(F)(F)F 2315788176 KKNADYMJUDPRDJ-NSHDSACASA-N 286.403 4.718 30 10 CJEE C[C@@H]1CC(OCC2(CS)CCCCC2)C[C@@H](C)S1 2317874063 JUPVTYRMJUVLSZ-CHWSQXEVSA-N 288.522 4.556 30 10 CJEE C=CC[C@@H](C)[C@H](CC(C)(C)CC(F)(F)F)NCC 2321107484 GUGAWOAOUWCOGM-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CCC[C@@H](CC)C1 2321108627 RHQOMHIFAKDTGH-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C)CC(C)(C)C1)NC 2321113096 LJSLKPZYFOEGEP-PBHICJAKSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC(C)(C)C1CC1)NC 2321114249 WDHMIUQTXVNLFK-DOTOQJQBSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cccc(Cl)c1C(F)(F)F 2321220196 PZLGKRHOPVLCDP-PELKAZGASA-N 278.701 4.604 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2cc(C)ccc2C)c1 2323166657 LYWINKHZTXWDND-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H]2CC[C@H]1NC2 2325607872 HIVNXNMYEBYKMU-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cccc(SC(C)C)c1 2327764482 FEDOWMGJEVYXBL-HNNXBMFYSA-N 264.434 4.823 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329821035 DIRDNBFKUXYSDP-FLXSYLCISA-N 261.453 4.537 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC1CCC(C(C)C)CC1 2337078747 GGMKHOVHARRRHQ-ZGUYJTEBSA-N 263.469 4.783 30 10 CJEE CCN[C@H](C#CC1CCC1)C1(C)CCCCCCC1 2337429905 PBPBPWGIOBZWPO-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)C(=O)C1CCC(C(F)(F)F)CC1 2338675299 WDEXRBNLRFDKDJ-UHFFFAOYSA-N 274.326 4.693 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCCSCC1 2338738291 LGYUDVFVDFTFJC-IRXDYDNUSA-N 281.509 4.656 30 10 CJEE C=CCCSc1ccc(CNC(C)C)c(C2CC2)c1 2339146021 NSBLOPUFBIKMPE-UHFFFAOYSA-N 275.461 4.730 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1ccc(F)c(C)c1Cl 2339196012 DQFZUZPETNSCMN-INIZCTEOSA-N 283.818 4.520 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341885359 QZNXOGPSWKZFSB-XSLAGTTESA-N 261.453 4.537 30 10 CJEE C=CC1(CNCC[C@H]2CC[C@H]2C2CC2)CCCCC1 2342539397 CIJPJFGPQCVZKA-SJORKVTESA-N 261.453 4.539 30 10 CJEE N#Cc1cc(Cl)ccc1OCC1CCCCCCC1 2342890682 GCPAHPAXKOEYRN-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE CCCCCC#CCN(C)C[C@@H]1CC[C@H]1C(C)(C)C 2343205366 UNYWSLQXANJWKH-DLBZAZTESA-N 263.469 4.574 30 10 CJEE CCCCC#CC[C@H](O)c1cccc(C2CCC2)c1 2343780715 HXNLWYAWFORYSG-SFHVURJKSA-N 256.389 4.571 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(CCC)cc1 2344349634 VEWQPCNTWVXGRI-MSOLQXFVSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1C2(CCC2)C12CCC2 2344398263 WIFKWUZTPBYANI-HZPDHXFCSA-N 261.453 4.667 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)c(C)cc1OC 2344419513 HBLBFPIIUXPRLH-INIZCTEOSA-N 280.795 4.832 30 10 CJEE CCCCN(CC1(CS)CC(C)(C)C1)C1CCCC1 2345008784 UOYKDSVHQYGMCB-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1C[C@@H]1CF 2357147524 FBSDKVZAWLLSKO-BRWVUGGUSA-N 286.479 4.735 30 10 CJEE Cc1cc(OCCCCCCCCCS)ccc1C#N 2360254174 XZTZIDXDYMIQBJ-UHFFFAOYSA-N 291.460 4.906 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 20078470 ZSDGOBABDMKYAF-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC[C@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37147039 FLKNNYCTGBDWIQ-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C 37306374 OMOBQWANYQVJCA-RWSFTLGLSA-N 296.336 4.814 30 10 CJEE Cc1ccccc1OCC[C@H](C#N)c1cccc(Cl)c1 57685927 SULPWFFVTXGORU-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N 59083469 GYQXIPBAPRPKLS-IKGGRYGDSA-N 283.500 4.906 30 10 CJEE Cc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)o1 59518802 GZSCUJAIXBBKCG-VIZOYTHASA-N 254.116 4.645 30 10 CJEE Cc1ccc(Nc2cccc(Cl)c2C#N)c(C)c1 70138294 NJVUNNRFJJMDNC-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=CCn1c(/C=C/c2ccccc2)nnc1SCCCC 75329737 ILCLFNOVLJPOIY-VAWYXSNFSA-N 299.443 4.527 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(Cl)s2)C1 83791884 KHMVBFGPPXICDW-GXFFZTMASA-N 253.798 4.664 30 10 CJEE C=C(C)Cn1cc(CN[C@@H](C)CC)c2cc(Cl)ccc21 84832807 XCHNMLDBCMHOHX-ZDUSSCGKSA-N 290.838 4.759 30 10 CJEE CCC[C@@H](CS)COc1cc(Cl)ccc1Cl 87078026 YRDLEDUQYYAZTE-SECBINFHSA-N 279.232 4.718 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1N 94591515 RKTJVJNFWXTNOK-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE Cc1csc(CC2(C#N)CCC(C(C)(C)C)CC2)n1 94981753 KXHFJRZNCRHVPT-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2cc(C)ccc2C)c(C)c1 103030900 JNGXQBBKNSWWEP-KTKRTIGZSA-N 279.383 4.729 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(OC)cc1 103949621 JXCZWIUPQXNNNK-QGZVFWFLSA-N 263.425 4.620 30 10 CJEE CCCCCCCn1cc(C=O)c2cc(CC)ccc21 106586589 SWQQYWMFQQCYTA-UHFFFAOYSA-N 271.404 4.987 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1ccc(C(F)(F)F)cc1OC 107476538 SBMXFTGZIVKIGF-RYUDHWBXSA-N 284.321 4.867 30 10 CJEE CCCOc1ccc(C[C@@H](C)CS)cc1C(C)C 107597424 FONSGVCZYRBDSU-CYBMUJFWSA-N 266.450 4.707 30 10 CJEE CN(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1C#N 110254849 DQPGQZNAARAVBB-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C[C@@H](CCNc1ccc(Cl)cc1C#N)c1ccccc1 110258367 HOTXLXIWGAAQGT-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CNC1CC1 111610568 GORVZWNOBRETBI-IBGZPJMESA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@@H]1CCc2ccccc2[C@H]1N 111726695 KVTGMTJOJOBFKS-AEFFLSMTSA-N 259.437 4.999 30 10 CJEE N#Cc1ccc(NCCC2CCCCC2)cc1C(F)(F)F 113046801 SOMLSNLJAVRQHQ-UHFFFAOYSA-N 296.336 4.959 30 10 CJEE CCCCCCCC[C@H](NN)c1c(F)ccc(C)c1F 122368862 MEZNFVBDFCDBSN-AWEZNQCLSA-N 284.394 4.528 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)CC1 126273548 WTPJUSONXHIXCF-XJKSGUPXSA-N 274.383 4.714 30 10 CJEE Cc1cc(Oc2ccc(Cl)c3cccnc23)ccc1C#N 126907137 GBHUYRMNNBGNGA-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCCC[C@@H](C)Nc1cccc(SCC)c1C#N 127043959 HEMSSVBKKBNYGS-GFCCVEGCSA-N 262.422 4.661 30 10 CJEE CCCCCCCCCCNCc1ccc(C(=O)O)cc1 129759652 XBRYCKQVXXBTHS-UHFFFAOYSA-N 291.435 4.615 30 10 CJEE C=C(C)[C@H](NCCC)c1ccc(Cl)cc1Cl 131319155 XKTIMVSDRNHWBG-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C=CCC[C@H](C)Nc1cc(C)ccc1Br 132048845 IWVOFOWXEMLJFF-NSHDSACASA-N 268.198 4.524 30 10 CJEE CCC(CC)N(CC(C)C)c1ccc(C#N)c(C)c1 133476598 XREBITMNRDKCRE-UHFFFAOYSA-N 258.409 4.518 30 10 CJEE CCCCCCCCC[C@@H](O)CCc1ccncc1 135350173 UPPHWCYHDNWGOO-QGZVFWFLSA-N 263.425 4.516 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2c1OCCO2 135354994 JCLQVTVTSWWJQN-INIZCTEOSA-N 292.419 4.632 30 10 CJEE CCSc1cccc(N(C)Cc2cccc(C)c2)c1C#N 136632232 KQWCWMGWAZBAGD-UHFFFAOYSA-N 296.439 4.615 30 10 CJEE CCSc1cccc(N(C)[C@H](C)CC(C)C)c1C#N 136647150 ODVHXTYROCLOAQ-CYBMUJFWSA-N 276.449 4.541 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1-n1ccnc1 137534990 UAQPDJREHPNAAP-UHFFFAOYSA-N 299.418 4.561 30 10 CJEE CCCCCCC[C@H](CC1CCSCC1)NCC 139685916 JKNOCDGQVMJPKP-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE CC(C)(C#N)CCCNc1ccc(OC(C)(C)C)cc1 154141054 ZRLQISPTVXWVRM-UHFFFAOYSA-N 274.408 4.606 30 10 CJEE SCC1(CN2CC[C@@H]3CCCC[C@@H]32)CCCCCC1 163545383 NXRKLBBWSLYAKN-HOTGVXAUSA-N 281.509 4.521 30 10 CJEE Cc1cc(C#N)ccc1CNc1cccc2ccccc12 165161483 GDSGBQHOOBQZOP-UHFFFAOYSA-N 272.351 4.632 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc(N)cc1 166795866 MVZJPWFMMDAOJA-UHFFFAOYSA-N 261.409 4.521 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 227398408 LTENZHKKEZWTIT-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H](CC)CC2)C1 227436790 NHYNYMMPMUDAEH-TVFCKZIOSA-N 276.468 4.607 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Br)cc1C 229737562 LHRNQNIWSYQAAT-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCCCCCOc1ccc([C@H](C)NC)cc1Cl 234416769 GVHSCWHLNMVELL-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CSc2ccccc21 234430213 WGNPHSDINJKEAW-CVEARBPZSA-N 275.461 4.600 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cccc(Cl)c1Cl 235074288 PBDMIRDDGJJCFA-UWVGGRQHSA-N 258.192 4.609 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccccc2Cl)C1 251701430 BGBQYVZYSZVWJX-VMUDFCTBSA-N 290.838 4.661 30 10 CJEE CCCC(=O)Nc1ccc(N=Cc2ccc(C)s2)cc1 252461978 OVRKPQCWHPZNBA-UHFFFAOYSA-N 286.400 4.546 30 10 CJEE CC[C@@H](C)c1ccc([C@H](C)CC=O)cc1Br 258815308 YJKHNGHMEMXOHA-GHMZBOCLSA-N 283.209 4.655 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CCCC(F)(F)C1 305908293 CNUBKBXFZHYLOM-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCCCCCNCCSC(C)C 306008429 JWMQONBWDXUCKX-UHFFFAOYSA-N 259.503 4.858 30 10 CJEE CC(C)(C)C1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 307564921 DRPMDLCZNXWNSQ-UHFFFAOYSA-N 278.245 4.781 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 310624983 RZJHISMRWRNUNU-CQSZACIVSA-N 284.230 4.694 30 10 CJEE C=C([C@@H](NCC)c1cccc(Cl)c1Cl)C(F)(F)F 311018471 NMAIUEZTSXRCHK-LLVKDONJSA-N 298.135 4.763 30 10 CJEE CN[C@H](CC#CC(C)(C)C)Cc1c(Cl)cccc1Cl 311427550 OTLSRNZRTHIRPA-GFCCVEGCSA-N 298.257 4.564 30 10 CJEE N#Cc1cc(F)cc(OCc2cccc(Cl)c2Cl)c1 311944260 YBDWFZNTCPNWRJ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CCCC[C@]1(CNCC(C)C)CCC[C@H](C)C1 319977433 NXRDGMZVQVBLIJ-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CSc1cccc(N[C@H](C2CC2)C(C)(C)C)c1C#N 323832359 IHVUIVRVVHQUGM-OAHLLOKOSA-N 274.433 4.517 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@]1(C#N)CCC[C@H](C)C1 380565453 GZOXGVVDYLNQPY-ZUZCIYMTSA-N 292.766 4.528 30 10 CJEE SC[C@H](COCC1CCCCCC1)c1ccccc1 381710641 FPMASPKOEOZVDV-KRWDZBQOSA-N 278.461 4.687 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(F)cc1Cl 387663955 NYMCNEUCRPRFTG-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C=CCCCOCc1cc(Cl)ccc1Br 389726785 RCJJJCRUTWVGHM-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE Cc1ccc([C@H](C)/N=C2/N[C@H](CC(C)(C)C)CS2)s1 393495098 WVGJRQIXQRQIDV-NWDGAFQWSA-N 296.505 4.615 30 10 CJEE CCCCCCCCC[C@H](O)c1ncc(CC)s1 394740067 XVAQFVAMYSRVKA-AWEZNQCLSA-N 269.454 4.880 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2cc(C)cc(Cl)c2)cc1 395175689 CCMLRANEBHMROP-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCCC1)c1cccc(Cl)c1 397209603 WCFRFMYOZDOQFR-BBRMVZONSA-N 290.838 4.711 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)CC(F)(F)F 402822926 DCYDBQKEKKKVJD-STQMWFEESA-N 267.379 4.914 30 10 CJEE N#Cc1c(C(F)F)ccc(C(F)(F)F)c1C(F)(F)F 575379463 IPRCCFLYSDHADM-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE C=C(C)C[C@H](C)c1nc([C@@H](C)c2ccccc2C)no1 577323510 GIPTVHIWZZGGRP-KBPBESRZSA-N 270.376 4.600 30 10 CJEE C#CCCCCC[C@]1(CNCC(C)C)C[C@H]2CC[C@H]1C2 686688094 DIXQYGOCXFYIMD-GBESFXJTSA-N 275.480 4.622 30 10 CJEE C#CCCCCCC(=O)c1cc(Cl)cc(Cl)c1 686688718 QSUDCAAWBYPOCM-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCC[C@H](C(F)(F)F)C1 686690913 CTDPFHQMQMQWBE-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCCCC[C@]1(O)COC[C@@H]1C 688010532 VETLKVOYVAPJCF-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CC(C)[C@H]1CCCCC[C@@H]1Nc1ccc(F)c(C#N)c1 691181637 XOTJRRNBSBTBPV-WBVHZDCISA-N 274.383 4.714 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@H]1CCCC[C@H]1C1CC1 695792862 XANLIGOPTMQDEX-IRXDYDNUSA-N 276.468 4.607 30 10 CJEE CCC(C)(C)CCNc1ccc(Br)cc1C#N 696807402 RMPLFSONYAHPRG-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)c2ccc(C#N)c(Cl)c2)CC1 697551764 SZWBQBSBURBCLO-TZMCWYRMSA-N 276.811 4.617 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30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc2occc2c1 2232406014 SZWDPTWPONAOMN-MRXNPFEDSA-N 258.361 4.993 30 10 CJEE CC(C)(C)C[C@H]1CNC(=NCCCCCC2CC2)SC1 2234192930 XOKDAVFXMMCCDM-HNNXBMFYSA-N 296.524 4.702 30 10 CJEE Cc1csc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)c1C 2234229427 AYQRMSJMKGANID-ARWYELJZSA-N 291.460 4.755 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccccc1COC 2235518678 IVAZGXFWQMRDOL-SFHVURJKSA-N 275.436 4.750 30 10 CJEE C=CCCCCCCCOc1ccccc1[C@@H](C)NC 2235540264 VMMWSJAQSVSUGQ-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE CCSc1cccc(N(C)CC[C@@H]2C[C@H]2CC)c1C#N 2236467983 REZDYUKLUHHJSI-ZIAGYGMSSA-N 288.460 4.543 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1sc(C)c(C)c1C 2236841672 MJQQNGGJISFKOA-QGZVFWFLSA-N 289.488 4.908 30 10 CJEE CN(CC1(C#N)CCCC1)[C@@H]1CCC[C@H](C(C)(C)C)C1 2238158514 RNNOEISCHBMLCX-JKSUJKDBSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCO[C@@H]1CC2(CC[C@H]1NC)CC2 2239449155 MWBWBBDGXKVWIS-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)C1CCCCC1 2240555014 ASBZLXBGIBAHKQ-GOSISDBHSA-N 282.516 4.719 30 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30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC[C@H]2C[C@H]21 2293456054 XSYTXDGYVBWXQV-KSZLIROESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@](OCCN)(c1cccs1)C1CC1 2293673259 OLGRSOSIHQMERO-KRWDZBQOSA-N 295.492 4.689 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)C1(SC)CC1 2293873844 QLFLGKAZYQKVOR-MRXNPFEDSA-N 299.524 4.533 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)C1[C@@H](C)[C@@H]1C 2294021980 VMVPFLCBIZWDKQ-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@H]1C=CCCC1 2294452710 MGLFHVPNTRVPPJ-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CC1(C)CCC[C@]1(C#N)c1ccc2cccc(Cl)c2n1 2294976085 GFQSQMWZNJIUAX-KRWDZBQOSA-N 284.790 4.860 30 10 CJEE C=CCCCCCCN=c1ccc2ccc(Cl)cc2[nH]1 2294983390 FTOOOVBZCSUBQG-UHFFFAOYSA-N 288.822 4.859 30 10 CJEE C=C(C)CCCCNCc1cc(Cl)cc(Cl)c1 2302415925 VITLQXQYPNRCCY-UHFFFAOYSA-N 272.219 4.829 30 10 CJEE CCCCC[C@@H](C)OC[C@](C)(CS)C(C)(C)C 2307112297 LGDIIPGDTXUXMQ-UKRRQHHQSA-N 260.487 4.954 30 10 CJEE C=CCC(CC=C)[C@](O)(CC)CC1CCCCC1 2316752514 ORBAIWGTGOSBOL-KRWDZBQOSA-N 250.426 4.866 30 10 CJEE 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30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1 2358137494 PNJFGNKTMYNQOX-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC[C@H]1C)OCCN 2360062735 USZPFIAETUHJDR-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)S[C@H](c1cccc(F)c1)[C@@H](N)CC 2360333084 HWCOHJPHBFYTHX-DLBZAZTESA-N 293.451 4.858 30 10 CJEE C=CC[C@H](C)S[C@H]1CC(C)(C)C[C@@](C#N)(NCCC)C1 2360333258 JOCJNWVMZKYAMF-ZOBUZTSGSA-N 294.508 4.525 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc([C@H](C)NC)cc1F 2360375429 OTFKCHDVSLORTQ-NSHDSACASA-N 297.414 4.858 30 10 CJEE Clc1cc(Cl)c(N/N=C/c2ccco2)c(Cl)c1 5344528 ZHWJPVGKJCCAPW-GIDUJCDVSA-N 289.549 4.686 30 10 CJEE Cc1ccc(N/N=C/c2cccc(Cl)c2)cc1Cl 6674050 HYFGMBSUUHBOHV-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1cc(Cl)ccc1C#N 36954459 POEXVBQSWPIGJL-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154043 RSEFWECIHOGWSZ-JTNHKYCSSA-N 265.809 4.760 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155809 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C[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 91880728 JOLUGZDZHSPJSQ-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE CCCCCC[C@@H](C)OC[C@H](CS)C(C)(C)C 94583943 JCICSODKXYGHLD-ZIAGYGMSSA-N 260.487 4.954 30 10 CJEE CCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1 105999986 RRLMWNPXAQEQPP-UHFFFAOYSA-N 287.407 4.642 30 10 CJEE CCCCCCCCC[C@H](Cc1ccccc1)NC 109721350 SFFQJCCLEMLCLY-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CCCCCCCN[C@H](C)c1c(F)cccc1F 109902255 QQKMNRUOOBKRFX-GFCCVEGCSA-N 255.352 4.586 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NCC1(CC)CC 114057490 FGNKKIULCFPKJK-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@@H]1C(C)C 115240358 CFUKXRJBKYUYBZ-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCCOC1 115762312 ATTZTUJBMDGTAG-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C[C@](O)(C1CCCCC1)C1(C#N)CCCCCCC1 122095974 DJTZXFHHMYPFNA-INIZCTEOSA-N 263.425 4.572 30 10 CJEE CC(C)(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 122557491 XJDDSTNUXWYCGJ-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(F)cc2C#N)c2ccccc21 126329786 BTMXEABVGJDSBV-KPZWWZAWSA-N 280.346 4.748 30 10 CJEE CSc1cccc(NCC2CCC(C)CC2)c1C#N 127048884 SMDUWINEADEYKI-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE CCCCCCCCCCn1cnc2cc(N)ccc21 129460083 GVCRVEPNBVDCJO-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCCCc1ccc(OCC[C@H](C)CCS)cc1 130408590 MYOHDJCFNZUOGN-AWEZNQCLSA-N 266.450 4.754 30 10 CJEE CCCCCCCCCC[C@@H](C[C@H](C)CC)NN 131279362 KGAMSBUJKVYODW-CVEARBPZSA-N 256.478 4.785 30 10 CJEE C=C(CC)C[C@H](NC)c1cccc(Cl)c1Cl 131591473 YJTFJBJHOSUTDW-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccccc1Cl 134650319 ZNANYZBFPRLBNI-WDEREUQCSA-N 290.819 4.685 30 10 CJEE N#Cc1c(-c2ccccc2)cccc1-c1ccccc1 141949596 WKXLBFKDEKNHSS-UHFFFAOYSA-N 255.320 4.892 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C[C@H]1CCCCN1 156654340 LDDKIDCUFDBGPM-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CCCO1)NCCC 158008575 XEEYFAVPVUHYCY-DLBZAZTESA-N 269.473 4.674 30 10 CJEE N#Cc1ccc(CNc2cccc3c2CCCC3)c(Cl)c1 162576932 RBBNYRAQTVXUMS-UHFFFAOYSA-N 296.801 4.703 30 10 CJEE C[C@@H]1CCC[C@H](CCNCc2ccc(C#N)cc2Cl)C1 162725188 ICLPBWMLWWFZOB-ZIAGYGMSSA-N 290.838 4.518 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(OC)CCC[C@H](C)C1 166290149 GJNQSTNUQWQQKN-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCSc1cccc(N[C@H](C)C[C@@H](C)CC)c1C#N 167601708 OSXCQNAZWOGGSC-QWHCGFSZSA-N 276.449 4.907 30 10 CJEE C[C@@H](N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccccc1 219547577 LQJCMFQDAVPBSL-DNVCBOLYSA-N 292.426 4.900 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCCC 219621024 KLWIUOGBPOADMF-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2C#N)C1 223416311 HFDCRZPFUAYLKU-ZJPYXAASSA-N 290.495 4.853 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cccc(Cl)c2F)C1 228393522 BZKLFDVKEVVPND-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCC[C@@H](C)C1 228784937 SXZIKJDFFVMGHF-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@@H]1C[C@H](O)c2cc(C)ccc2O1 229406989 IMYBDBZHBHTONZ-ZBFHGGJFSA-N 262.393 4.540 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(CC)s1 229754932 CZYGXTPTSPFIEM-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE Cc1cc(NCCCCCCC(C)C)c(C#N)c(C)n1 232541372 IVDSWTFYQSIACX-UHFFFAOYSA-N 273.424 4.589 30 10 CJEE CCCCCCCCCCNCc1cnn(C(C)C)c1 232951394 YCSOHAJRWFOMHP-UHFFFAOYSA-N 279.472 4.694 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cccc(C)c2C#N)CC1 234065676 RCLDJOQOKOTLCY-GJZGRUSLSA-N 256.393 4.638 30 10 CJEE N#CC1(c2ccc(Cl)c(Cl)c2Cl)CCC1 238561626 ZROCCOMVNXEXNR-UHFFFAOYSA-N 260.551 4.592 30 10 CJEE COc1ccc(N=Cc2ccc3ncccc3c2)cc1Cl 254310160 RYZCJLGRMMJVNJ-UHFFFAOYSA-N 296.757 4.647 30 10 CJEE C(=NNc1ccccc1)c1sccc1Oc1ccccc1 254606518 MMFNTRYDMIFFMF-UHFFFAOYSA-N 294.379 4.986 30 10 CJEE C[C@@H](F)c1ccc(C(C)(C)CC#N)cc1Br 260241787 JTQQRNGPBBSYAR-SECBINFHSA-N 284.172 4.671 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](C)CSC 305939078 LBRAQAWDLKLQTD-HUUCEWRRSA-N 259.503 4.844 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 312638565 IEKJABOIVXFBOS-LUKYLMHMSA-N 278.484 4.851 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(F)c(Cl)c1 313410972 OTPUCHHIBAIQFV-LLVKDONJSA-N 288.753 4.718 30 10 CJEE Cc1ccc(C[C@@]2(C=O)CCC[C@@H](C)C2)c(Cl)c1 317432943 PUNKNYCCUVPKOG-CZUORRHYSA-N 264.796 4.586 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(F)c2ccccc12 320752079 ANSSNLBUCQOUEU-UHFFFAOYSA-N 299.389 4.845 30 10 CJEE CCO[C@H]1C[C@H](C2(C#N)CCC(CC)CC2)C1(C)C 378699399 IHBGHTASNTUQBK-GWUWNPHMSA-N 263.425 4.548 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(OC)cc1F 380640310 WIDOPJCITPMYIK-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE CCCC(CS)(CCC)COC[C@@H](OC)[C@H](C)CC 384808000 ZTBYCXOUGGSNRT-HUUCEWRRSA-N 290.513 4.581 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc2ccsc12 386316439 BZVFJEISCFFYLX-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CC(C)C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccccc1 396737548 LULPHSNKQFESJK-SSZFMOIBSA-N 286.224 4.748 30 10 CJEE CCC[C@@](O)([C@H]1CC1(C)C)C1(C#N)CCC(CC)CC1 397703177 MTBULPCEXSBIQZ-QZOMQWOVSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]2C1 403314951 AWIUIROWWMZIOH-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccccc1SC 410345011 MQMIISSMFNOQFD-UHFFFAOYSA-N 297.423 4.779 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCC12CCCC2 505004520 DPTMUNDVOCOTST-KRWDZBQOSA-N 298.430 4.650 30 10 CJEE CSc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1 512611019 GZJQZSQUQUQILK-LLVKDONJSA-N 286.375 4.592 30 10 CJEE C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 527348709 AMNNRCHCXIHRSB-CWFSZBLJSA-N 290.410 4.545 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(Cl)cc1Cl 686689673 POHLLYGSIQTZOO-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CCc1ccc(CC)c(N=C2N[C@@](C)(CC)CCS2)c1 689596100 MXJDBXBJAYOQHM-KRWDZBQOSA-N 290.476 4.694 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cccc(C)c1C#N 691076896 YIHFGHWYIQBHPU-HOCLYGCPSA-N 256.393 4.638 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)O)cc1Cl 692216043 VIMCFLYJPVNHMF-BXUZGUMPSA-N 293.794 4.585 30 10 CJEE CC(C)CCCCCCN[C@H](C)CC(C)(C)C#N 695791503 NYEHOGVXBYMVTO-OAHLLOKOSA-N 252.446 4.511 30 10 CJEE CCCCCCCCCC[C@H](N)c1nc(C)c(C)[nH]1 699981964 HUJMGJJZDKLIEH-HNNXBMFYSA-N 265.445 4.557 30 10 CJEE C[C@@H]1CCCCN(CCCCCCCCCS)C1 703282629 SZTULIGHWJPWDS-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE CCC(Nc1ccc(Cl)cc1C#N)(C1CC1)C1CC1 704607538 HPRATBMDRKVKFQ-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=CC[C@H](C=C)O[C@@H]1CCCCCCCCCC[C@@H]1N 705998735 NDCGBQGXFJKRDH-OKZBNKHCSA-N 279.468 4.744 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CC(C)(C)OC1(C)C 711366657 UWIQRGNBJFBOBY-GJZGRUSLSA-N 269.473 4.658 30 10 CJEE C=CCCC(=O)c1c(Cl)cccc1C(F)(F)F 712542293 ZFUNQPKINAZAIF-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)cc(Cl)c1 715705178 LYZJTENILSBGKL-WFASDCNBSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)C(=O)c1cc(C(F)(F)F)ccc1Cl 715732610 KTCCHQFQSYOONL-MRVPVSSYSA-N 276.685 4.754 30 10 CJEE CCCCCCCCCC(=O)Cc1cnc(C)s1 718880002 WVXBXMHHKJDHNN-UHFFFAOYSA-N 267.438 4.704 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1nn(C)cc1C 723506995 RHGKTRODNUBIKR-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE C=C1CCC(CC(=O)[C@@H](CC)c2ccccc2)CC1 724583980 OFZMOOBFIYCNJH-KRWDZBQOSA-N 256.389 4.886 30 10 CJEE 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CCCCCCCCOC[C@H](N)C1CCCCCC1 2142972784 DKOSHUKZKWUKHV-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)CCC(F)(F)F)CC1 2144278951 RSIDTWROEDYBOU-ROKHWSDSSA-N 291.357 4.580 30 10 CJEE C=C1CCC(C[C@]2(CNCCC)CCC(F)(F)C2)CC1 2146873114 ZFOLPXAHJZNSKO-MRXNPFEDSA-N 285.422 4.928 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](O)CC1CCC1 2148579977 VCEDBDZZYOSBBW-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(O)C[C@H](C)[C@H]1C 2148594790 IBVGLBCUJBCZMN-MHORFTMASA-N 283.500 4.512 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CCC[C@H]2C(F)(F)F)CC1 2149008855 MPKCCBHUBJNSAT-KFWWJZLASA-N 289.385 4.690 30 10 CJEE CCCCCCCCCCCCN[C@@H]1COCC[C@@H]1C 2152554733 HOTMGAABJXKCNO-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC 2152923832 GDKZNKGMDGNNIM-IPMKNSEASA-N 271.448 4.905 30 10 CJEE CCCCCCCCC[C@@H](N)C1CC2(CC(OC)C2)C1 2156632055 SYYPXTUSAAVNCQ-QQQDYKAYSA-N 281.484 4.660 30 10 CJEE CN(C[C@H]1CC12CCCCC2)c1cc(Cl)ccc1C#N 2156754953 QHSXMPJCWSHILS-CQSZACIVSA-N 288.822 4.618 30 10 CJEE CC1([C@](C)(O)C2(C#N)CCCCCCC2)CCCCC1 2157564159 AUEZWEGHDBOUFI-KRWDZBQOSA-N 277.452 4.962 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCC1)C1CCC(C)(C)CC1 2158446578 JMCDFDSQTCDCDN-RHSMWYFYSA-N 276.468 4.511 30 10 CJEE CC(C)(C)c1nsc(CC2(C#N)CCCCCCC2)n1 2158908478 DBWJBYHMOSONQH-UHFFFAOYSA-N 291.464 4.632 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1ncc(C)cn1 2163299836 ZEXYIKJJRIGUCQ-MRXNPFEDSA-N 278.440 4.739 30 10 CJEE CCCCCCCCCC[C@H](NCCC)C(C)(C)NC 2164216944 DULDJRFNXLPSLH-KRWDZBQOSA-N 284.532 4.883 30 10 CJEE CCC1(OC[C@H]2CC23CCCCC3)CCC(=NO)CC1 2165695942 TVWQLEPCNXEFPL-XPCCGILXSA-N 279.424 4.526 30 10 CJEE C=CC1(C[C@@H](NCCC)C2CCC(F)(F)CC2)CCC1 2168027719 GQSRLFDKPIYPOD-OAHLLOKOSA-N 285.422 4.927 30 10 CJEE C=CC1(C[C@H](NCC)c2cc3ccccc3o2)CCC1 2168029958 BDQJTIYWOKCWNT-HNNXBMFYSA-N 269.388 4.830 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)c1ccc(C#N)cc1 2168523007 JVCMPSRQFGTKMB-ZBFHGGJFSA-N 270.420 4.599 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@H]1CCCC(C)(C)C1 2168564392 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CC[C@H]1CC[C@H](CN(C)CC2(C#N)CCCCC2)CC1 2192829895 VCLFKENSLYTLFO-QAQDUYKDSA-N 276.468 4.609 30 10 CJEE CCCCCCCCCC[C@H](CC1(CCF)CC1)NN 2195195816 JDWJBDGUJIOCIW-MRXNPFEDSA-N 286.479 4.879 30 10 CJEE CCCCCCCCCN(C)Cc1c(C)ccnc1C 2195536563 DBTFPMFCVCUOAD-UHFFFAOYSA-N 276.468 4.881 30 10 CJEE C=C1CCC(CN(C)[C@@H]2CCCc3ccccc32)CC1 2195960815 VYXUQGDAEGATJD-LJQANCHMSA-N 269.432 4.742 30 10 CJEE CCN(Cc1cscc1C)[C@@H](C)c1ccc(C#N)cc1 2196031536 CNQHGTXVQSDQRO-AWEZNQCLSA-N 284.428 4.511 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1c(C)coc1CC 2196171417 JGGQTTHLWOTQCD-MRXNPFEDSA-N 275.436 4.775 30 10 CJEE C=CCCCCCC(=O)C1(O)CCC2(CCCC2)CC1 2196597600 IWVSCFHRWOWKHL-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE CCCCCCCCN(C)C[C@@]1(C=O)CCC[C@@H](C)C1 2196726408 MSDLYKWDUWVOLO-QZTJIDSGSA-N 281.484 4.674 30 10 CJEE C=CC1(CN[C@H](CC)c2cccc(O)c2)CCCCC1 2197408641 DLIVNOINRGISAX-QGZVFWFLSA-N 273.420 4.569 30 10 CJEE CCCCCCCCC[C@@H](CC12COC(C)(C1)C2)NC 2202713472 FKADRWVSUJMDOM-AOCRQIFASA-N 281.484 4.674 30 10 CJEE 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CJEE C=CCCCCCCCCC[C@H](NCC)[C@@H](CC)CN 2207414471 ONUUBMBZKOVGOM-ROUUACIJSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1C[C@]12CC2(F)F 2207432974 UPBLOIRQKRQYKU-PMPSAXMXSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1cncc(F)c1 2207438187 QGMUJTIEECQAEA-QGZVFWFLSA-N 278.415 4.917 30 10 CJEE C=CC[C@@H](CCCOCc1ccccc1)CN[C@@H](C)CC 2210062678 YCXDOCGCJDTDII-ROUUACIJSA-N 289.463 4.564 30 10 CJEE CCCCCCCCCOc1ccsc1C=O 2216886220 NKMJSVVZIPRFPZ-UHFFFAOYSA-N 254.395 4.690 30 10 CJEE C=CCCCCCCC[C@@H]1CCCC[C@H]1CNC 2220090838 DHNCVMNBWPIABN-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=C[C@@H](CCCCC)Oc1ccc(C#N)cc1Cl 2223223424 CXTUJPDQMNMMFZ-ZDUSSCGKSA-N 263.768 4.725 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1[C@@H](C)C1(F)F 2223857161 LIXYBWRQXGOQCH-MJBXVCDLSA-N 261.400 4.616 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncc(C)cc1C 2227267911 KTGGEXZEUYDRQH-INIZCTEOSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@](C)(N)c1ccc(Cl)cn1 2227269086 WACABQCQEFIPFT-INIZCTEOSA-N 280.843 4.826 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(F)ccc1F 2227275362 YQCSEOVFIJGQOZ-INIZCTEOSA-N 267.363 4.881 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 2227290964 MHYKZEKXKBMTMP-ATIWLJMLSA-N 262.437 4.700 30 10 CJEE C=C1CCC(C[C@@](C)(O)c2cc(C)cc(Cl)c2)CC1 2229474104 LUTDEEDYXVDCOB-QGZVFWFLSA-N 278.823 4.992 30 10 CJEE CC1(C[C@]2(C#N)CCC2(C)C)CC2(CC(F)(F)C2)C1 2230627048 ZALADUOHKXGEDA-HNNXBMFYSA-N 267.363 4.922 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CCC)CN[C@@H](C)CC 2231016276 MOHHBUUSTSQLPW-BBWFWOEESA-N 269.473 4.695 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@]1(C#N)CC=CCC1 2231855820 MNPLNCRSMOADCJ-SJORKVTESA-N 263.425 4.738 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@H](C)c1ccc(C)cc1 2232088650 VQYIMZCKLIYZRC-LZLYRXPVSA-N 259.437 4.679 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc3occc3c2)CC1 2232403647 LMPXQFXNKXSOHK-INIZCTEOSA-N 256.345 4.603 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1CC(C)(C)CO1 2235513757 MMWQLRINEBNDEZ-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](Cc1ccc(F)cc1)NC 2235538233 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PXPMWTISKISIAE-HKUYNNGSSA-N 271.448 4.660 30 10 CJEE CCC(F)(F)CCSC[C@@H](CS)C(C)(C)C 2243622486 UQGGUTHXOOAXID-SNVBAGLBSA-N 270.454 4.747 30 10 CJEE CC(C)O[C@@H](C#N)c1cc(Br)cc(C(C)C)c1 2247270347 OVGRGWSBHGFJSS-AWEZNQCLSA-N 296.208 4.562 30 10 CJEE CCCC[C@@H](CC)Oc1cc(Br)cc(C#N)c1 2249873152 CMFFRMCNGDSTOR-CYBMUJFWSA-N 296.208 4.668 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(CC)s1 2250148784 AGBISABYTQOAJD-OAHLLOKOSA-N 251.439 4.621 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(Cl)c1F 2250182142 WBNRNXLGQDQQDC-CYBMUJFWSA-N 256.748 4.649 30 10 CJEE CN(CCCCCCCS)C1CCCCCC1 2252651981 VGCXXRHLBBJAFM-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CC(F)(F)C12CCC2 2254959044 IRWJCDGNPHTHCH-UPJWGTAASA-N 253.336 4.532 30 10 CJEE CC(C)(C)C#CC=CCc1cscc1C(F)(F)F 2256714649 WBOHYFWFQJRPDU-UHFFFAOYSA-N 272.335 4.915 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(Cl)nc(Cl)c2)C1 2258725551 DEASYTIWNYOMKB-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCC=CCCC1 2259212871 ZXFRMZJBGWTTGM-INIZCTEOSA-N 250.382 4.714 30 10 CJEE C=C1CC(CC[C@@H](C)CCCC(C)C)(CNC)C1 2259679294 SDUMSAPLNYSJEY-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE O=C(CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2261117602 RVTAEDWKADRYTB-UHFFFAOYSA-N 281.182 4.760 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1scc(C)c1Cl 2261119243 ZJYNKDRHGWXGPU-ZDUSSCGKSA-N 281.852 4.554 30 10 CJEE C=CCCC[C@H](CC1CC(CC(C)(C)C)C1)NC 2261259821 CDYAEJCSOREYFM-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C[C@@H](C(F)(F)F)C1(C#N)CC(C)(C)CC(C)(C)C1 2263847848 CROHQKQBELDYQT-SNVBAGLBSA-N 261.331 4.931 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(C)c(F)c(C)c1N 2264457546 QUZYGBBSXQSWDX-CYBMUJFWSA-N 265.372 4.538 30 10 CJEE CCSc1cccc(SC[C@@H]2CC23CCC3)c1C#N 2265220794 LFEKLCJSWQRVJI-LBPRGKRZSA-N 289.469 4.953 30 10 CJEE CCSc1cccc(Nc2c(F)cccc2C#N)c1 2265762659 MGZWRBFTPGBQEO-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCC[C@](C)(C=O)CCCCCCCCCCCO 2271236287 FAOGMMOILOJDHY-KRWDZBQOSA-N 270.457 4.885 30 10 CJEE C=CCCCCCCCSc1cccc(OC)c1N 2271587259 UYTFGXQGMKVTSU-UHFFFAOYSA-N 279.449 4.896 30 10 CJEE C=CCCCCCCCSC[C@@H]1CNCC(C)(C)C1 2271595531 ZCYZGWBYFCLSPO-INIZCTEOSA-N 283.525 4.882 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1c(C)cccc1F 2271796334 DYOMPHIUSWHQTE-MRXNPFEDSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@H](CCc1ccc(C)cc1)NC 2271833295 NSOJLHAOZDJJPN-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCCCC[C@@H](CCCCCCC)OCC(=O)O 2275353754 AFOJHGFLLUDGJO-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCN)C(C)(C)C 2276157639 ATRKUJKWZQFBPA-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1CC1(C)C)OCCN 2276741769 ZBYDFCFDJKIERE-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCN)C(C)(C)C 2276900141 RNOPPCJEKRQHRJ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CCC[C@H](C)[C@@](CCC)(OCCCN)C(C)(C)C 2276912850 JOVMRZFPXPMPAL-DOTOQJQBSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H](C)C1 2277363078 VXXYELNUMAYSOK-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCO[C@@H]1CN[C@@H]2CCCC[C@@H]2C1 2279526658 VHQYNJRMCSNQGX-FGTMMUONSA-N 281.484 4.674 30 10 CJEE CCCCCC#CCC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 2279637857 RGEGDEKVCDOPQH-HDJSIYSDSA-N 288.353 4.898 30 10 CJEE N#Cc1cccc(F)c1N[C@@H]1CCC2(CCCCC2)C1 2280446554 IMTBZRVZQPLJCO-CQSZACIVSA-N 272.367 4.612 30 10 CJEE CO[C@H](CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N)C(C)C 2283994889 VIZAGGJYXYHZCF-CAOSSQGBSA-N 297.508 4.745 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CCCC[C@@H]1CNC1CC1 2284072705 IBSSFDZEUIFBPM-DLBZAZTESA-N 273.464 4.541 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1(CC2CCC2)CC1 2284103124 NCXSSMIVMLNQGL-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1 2284110148 CNYILCUITQESQZ-VQIMIIECSA-N 275.480 4.916 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)C(F)F 2284164091 GXTZVFGBGOORQR-AWEZNQCLSA-N 285.422 4.642 30 10 CJEE CCCCCCCCC[C@H](NC)C1(O)CCC=CCC1 2285714539 DIHPRFPUZVWWPW-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CC1(CSCc2ccc(C#N)cc2)CC(C(F)(F)F)C1 2287331106 FVDNKZHICCNAPJ-UHFFFAOYSA-N 299.361 4.770 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)[C@H](C)CC(C)C 2287375323 NOMVSDLRKIXVMT-SQNIBIBYSA-N 283.500 4.534 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)c1ccc(C)s1 2287392887 SKLCWOQGTPRGPS-NVXWUHKLSA-N 295.492 4.595 30 10 CJEE C=CC1(C[S@@](=N)(=O)C2CC3(C2)CC2(CCC2)C3)CCC1 2289655911 DIJOVDVLESQHLZ-HXUWFJFHSA-N 293.476 4.502 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cnc(C(C)C)s1 2289842307 QARFRMMXTJPMCQ-HNNXBMFYSA-N 290.476 4.501 30 10 CJEE CCCCCCCCO[C@@H]1[C@H](N)C(C)(C)CCC1(C)C 2290213564 PLZLUCXLPMPENW-JKSUJKDBSA-N 283.500 4.906 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)C1(C)CCCC1 2290917906 MDDXCYNWSQJBMW-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCC[C@@H]1CC 2292786093 YKDGLNMTNNHLFY-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]1CCC)OCCCN 2292840578 ODGLQFNMQLOKKZ-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@@H](OCCN)C(CCC)CCC)CC1 2292910107 UVVRDNOXYCGFRB-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@](C)(CCCCCC)OCCN)CC1 2292914157 ZFVIQQVIKNLDTR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCCCC[C@@H]1CC 2293110808 GKXOLNBYGVAUQO-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCCC[C@@H]1C(C)(C)C 2293362747 HMVUBWYEASMQIP-QAPCUYQASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]1C(C)(C)C 2293367524 DQNKTTAVIWXFBO-ULQDDVLXSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)C=CCCC1 2293458291 GKXFRKCYAILYDZ-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCCCC1(OCCN)CCC=CCC1 2293469401 GHSGUXPKKXIBRK-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCCCCC[C@@](CC)(OCCN)C(F)F 2293731205 LNDVUXNIWAWEKC-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCN)C1CCCC1 2293775733 IADGNXNNKPPMDL-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1ccc(C)s1 2294002309 AZZKSSJXMREMPT-MRXNPFEDSA-N 295.492 4.990 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@H](CN)C1(C)C 2295531628 NBGCLRJDWJBKMH-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1COC2(CCC2)C1 2295676699 NKMNUYRREJHUHW-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCCC[C@@H]1O 2295678945 LEMRGIUOKQCWPQ-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)NCc1nccn1CC 2295680230 XEIGUTZHVYBMFH-INIZCTEOSA-N 279.472 4.522 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1csc(C)c1 2295680294 XTVMWCBEAYQMIJ-IAGOWNOFSA-N 297.508 4.948 30 10 CJEE O=C1C(=Cc2ccc(Cl)cc2Cl)Cc2ccccc21 2297563129 KYTRQFXGXXRFBX-UHFFFAOYSA-N 289.161 4.816 30 10 CJEE C=CCC(CC=C)Nc1c(C)cc(C)cc1Br 2301008704 GRSRDFWIPVZADA-UHFFFAOYSA-N 294.236 4.999 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(C)c(Br)cc1C 2304021002 CRXQJNWFGHCSLZ-ZUZCIYMTSA-N 296.252 4.539 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Br)c(C)c1 2304060016 UDJFWNKLORTBOL-GJZGRUSLSA-N 296.252 4.750 30 10 CJEE CCCC[C@@H](CC)COC[C@@H](CS)CC(C)C 2308054658 ZQMSOJYZYVPAFQ-CABCVRRESA-N 260.487 4.812 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2C[C@@H]2C1 2308135755 MFXDQUBFJMTUQT-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NC 2309961729 WAYNIMBBCGIAOY-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(CC)(CC)CC[C@@H]1NC 2313644559 JECYTLKUFPAIAN-SOUVJXGZSA-N 269.498 4.631 30 10 CJEE C=CCC(CC=C)OC(=O)C[C@H](C)CC(C)(C)C 2313645869 UJCZHAJMOWSPFO-ZDUSSCGKSA-N 252.398 4.513 30 10 CJEE C=C(Cl)CC(=O)[C@H](c1ccccc1)C1CCCC1 2319603215 ONXGJWAQMGQDCH-MRXNPFEDSA-N 262.780 4.672 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)ccc1OC 2321177963 WVDRBSOEUPVIME-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333706468 OFGPXTPVWZWKSN-TUVASFSCSA-N 272.379 4.555 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(CC1CC1)CC1CC1 2335163162 SRMIZYPEYJWAGY-WMZOPIPTSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC1C[C@@H]2CCCCC[C@H]2C1 2337080299 GILGYXJXZAUGRC-CVYDXHPNSA-N 261.453 4.680 30 10 CJEE O=C(C#CC1CC1)c1ccc(-c2ccc(Cl)cc2)s1 2337436227 BVYWTUQVUCSUEX-UHFFFAOYSA-N 286.783 4.665 30 10 CJEE C=CCC(CC=C)N1CCC[C@H](C2CCCCC2)C1 2338726656 CVGLRMSZKVMBIN-KRWDZBQOSA-N 261.453 4.800 30 10 CJEE C=CCC(CC=C)[C@](N)(CC)c1ccc(CC)cc1 2338730473 QSMNVGBBZGLKEX-GOSISDBHSA-N 257.421 4.581 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1C(C)(C)C1(C)C 2338733701 VBSVHXMJVIECSV-OAHLLOKOSA-N 263.469 4.805 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@]1(C)CC=CCO1 2339714818 AGWYSYXXQCKZLK-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C=CC[C@@H](C)[C@H](CCc1ccc(Cl)cc1)NCCC 2344339609 KQHQQLAZHNISDX-PBHICJAKSA-N 279.855 4.853 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)ccc1F 2344341939 GDFJNZOPYYNPFH-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H]1CCCC[C@H]1C(F)(F)F 2344420246 MAUYTZAYLGLEKT-VXGBXAGGSA-N 276.342 4.917 30 10 CJEE CCCc1ccc(OCC2(CS)CC(C)(C)C2)cc1 2345005661 BRHZJGJYYGHZAM-UHFFFAOYSA-N 278.461 4.754 30 10 CJEE CC[C@]1(C)CCCN(C[C@@](C)(CS)C(C)(C)C)CC1 2352172914 BVHCTQCDAMGOOW-SJORKVTESA-N 285.541 4.871 30 10 CJEE CSc1cc(Nc2ccc(Cl)cc2F)ccc1C#N 2353839798 ODDKFGNQUVEXGT-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H]2C[C@H]1CC2(F)F 2354298883 UEGDDLUWTUFUCA-OBJOEFQTSA-N 295.398 4.810 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@]12CCC[C@H]1OCC2 2354653542 WVSJTRARBPEDBS-KZNAEPCWSA-N 281.484 4.674 30 10 CJEE CCC[C@@H](CS)CN(C)C[C@@H]1C[C@H]1C1CCCCCC1 2357731690 OYRGOTUDKKRZKC-NJAFHUGGSA-N 297.552 4.871 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)[C@@H]1C[C@H]1C(C)(C)C 2358665969 RGMRANXSNAUVGA-INMHGKMJSA-N 280.452 4.515 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 36805579 VUTVBNFXQKXOQF-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCC[C@@H](C#N)Nc1cccc(Br)c1 37937423 FSTZDDXTURPHBG-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(Cl)c1 37938216 IVMXJFBYODLITN-CQSZACIVSA-N 277.154 4.670 30 10 CJEE FCCCCCCCCC#CCCO[C@H]1CCCCO1 39626790 ROVOAZBCHDNVBH-QGZVFWFLSA-N 284.415 4.623 30 10 CJEE CCCCC1CCC(C(=O)[C@H](C#N)c2cccs2)CC1 52902594 RZHLXKORLGXVPO-YMAMQOFZSA-N 289.444 4.921 30 10 CJEE N#CCCCn1c(-c2ccc(Cl)cc2)nc2ccccc21 57868884 WSKMLWMSKUUUDJ-UHFFFAOYSA-N 295.773 4.660 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(NC(C)=O)cc1 59089701 VYUAPNIXZOIOTQ-CQSZACIVSA-N 276.424 4.806 30 10 CJEE CCc1ccccc1/N=C/c1c(C)n(C)c2ccccc12 59302302 HXMCCCNTOIJBTM-DEDYPNTBSA-N 276.383 4.800 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 62791086 CGGIHAYGNONVSY-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCc1sc(-c2ccc(OCC(C)C)cc2)cc1C#N 77097214 RQRAFNXSIUOEFH-UHFFFAOYSA-N 285.412 4.884 30 10 CJEE CC[C@@H]1CC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 88041340 USIALKOBZMXPQZ-DOMZBBRYSA-N 282.412 4.975 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc2sccc2c1 88120364 BDYRLGQLVIJLES-UKRRQHHQSA-N 270.401 4.786 30 10 CJEE C[C@@H](c1ccccc1F)N(C)CC1(CS)CCCCC1 94579476 SFEHMSCYVMTBQE-AWEZNQCLSA-N 295.467 4.699 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@@H](CS)c1ccccc1 94583635 DGNXOIZWDZYEOH-HYVNUMGLSA-N 278.461 4.685 30 10 CJEE CCCCCCCNCc1ccccc1Br 105807321 YHSFDOHSOFZIKZ-UHFFFAOYSA-N 284.241 4.509 30 10 CJEE CCCCCCCCOCc1oc2ccccc2c1CN 107346457 WDACNBKXGWUNCN-UHFFFAOYSA-N 289.419 4.769 30 10 CJEE CCC#CC[C@@H](C)c1cc(Cl)c(C)cc1OC 107620068 KDYANYWAXLOOSR-LLVKDONJSA-N 250.769 4.564 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(OCC)c(C)c1C 107642389 JQDWIZGTROUGCN-KGLIPLIRSA-N 258.405 4.855 30 10 CJEE CCCCCCCCOCc1cccc(CNC2CC2)c1 110171325 SYXYTBYWWYJOJV-UHFFFAOYSA-N 289.463 4.816 30 10 CJEE CCCCCCCCCN1C[C@H](C)NCC1(CC)CC 115218983 UGSTZIRNDFSWGB-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](O)c1sccc1Br 122227404 QDHZDVPNWDBDSQ-NSHDSACASA-N 291.254 4.905 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccccc1OC 125199458 FPUZFDHTQKXKIF-KRWDZBQOSA-N 292.467 4.730 30 10 CJEE CCCCCCCC[C@H](NCC)c1c(Cl)cnn1CC 126399560 MJFAORNXVXJYRC-HNNXBMFYSA-N 299.890 4.958 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccc(C#N)cc1Cl)C2 126482028 ZBUSRFOFWAKYIZ-MJEQTWJJSA-N 289.806 4.805 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(F)ccc1N 126886595 CZCWBHJHRZTSAP-QGZVFWFLSA-N 281.415 4.972 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCCO1)NCC 127187569 DYHDLCONRXOJAB-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2OC)CC1 129963514 FOTBPGKDKFWNMI-GOEBONIOSA-N 286.419 4.728 30 10 CJEE C#CCCC[C@H](NCCC)c1cccc(C(F)(F)F)c1 133967840 WIDNXJRKAATIQW-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CSc1cccc(NCC(C)(C)c2ccccc2)c1C#N 137019930 DMVWGBXDNKKOCC-UHFFFAOYSA-N 296.439 4.670 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(Cl)s1 156863354 QDOQFHVJKHEUSC-NSHDSACASA-N 257.830 4.799 30 10 CJEE CCCCCCCC[C@H](O)c1cncc(OC(C)C)c1 157226287 GWSPTUQASLOPIY-KRWDZBQOSA-N 279.424 4.653 30 10 CJEE CC[C@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222215536 FLKNNYCTGBDWIQ-LTIDMASMSA-N 276.468 4.605 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2cc(Cl)c(C)n2)C1 227615443 BFAISNVMRLCVKD-NFAWXSAZSA-N 293.842 4.762 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1cccc(C#N)c1 227633477 LMTQCGPPOMLLJM-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1C 228115291 JXWJHEGNBYBQBH-ILXRZTDVSA-N 289.554 4.692 30 10 CJEE C=CCC[C@H](C)N[C@H](CC)c1cccc(Cl)c1 228818612 REEKWEUKPHGLJZ-SWLSCSKDSA-N 251.801 4.735 30 10 CJEE C=C(CC)C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC 229754003 JUILAFYOQRFXIC-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE C=CCSCCN[C@H](C)c1sc2ccccc2c1C 231932275 GFNXGHDPXMTJLK-CYBMUJFWSA-N 291.485 4.780 30 10 CJEE CCCCCCCCOc1ccc(N)c2ccncc12 232046115 ZANWKTQYDLNSCD-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CC(C)[C@H](C)Sc1ccc(CNC(C)(C)C)cc1C#N 232755321 BTUQBBYFRCNTCW-ZDUSSCGKSA-N 290.476 4.583 30 10 CJEE CCCCCC(C)(C)CNc1ccc(C#N)c(F)c1F 232929732 URGCHZMWWFAIPP-UHFFFAOYSA-N 280.362 4.855 30 10 CJEE C=CCCCCC[C@@H](NCC)C1CCC(F)(F)CC1 233600842 GVZLSXSYQVXNNJ-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=CCCCCCC(=O)[C@]1(OCC)CCC[C@@H](C)C1 233756417 VGJABFQVZLFDAF-WBVHZDCISA-N 266.425 4.677 30 10 CJEE C=CCCCCC[C@H](Cc1c(F)cccc1Cl)NC 234449945 SSYBRUGPOUYMLD-CYBMUJFWSA-N 283.818 4.746 30 10 CJEE C=CCCCCC[C@@H](N)c1cccc(F)c1Cl 236316065 JRFRHNCXEOEYGH-CYBMUJFWSA-N 255.764 4.615 30 10 CJEE O=C(C[C@@H]1CCCc2ccccc21)C1=CCCCC1 236390336 DAHNGHHOVKTIOO-INIZCTEOSA-N 254.373 4.566 30 10 CJEE N#Cc1cc(-c2c(Cl)cccc2Cl)cs1 238607474 JBKCNDAOJFPTOU-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCCCCCCCCN1C[C@H](CC(C)C)NC[C@H]1CC 250811497 HSGKZKZRRWTTAM-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE N#CC[C@H](c1cc(Cl)c(F)cc1Cl)C1CC1 260886373 UIINVKZUUDHGMG-QMMMGPOBSA-N 258.123 4.540 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)s1 310589985 YPOCLOCOTFCIEM-JTQLQIEISA-N 257.830 4.654 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2ccc(C(C)(C)C)cn2)C1 312229663 DHSILXAOPOCITD-KSSFIOAISA-N 270.420 4.741 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@H]2CCOC3(CCCCC3)C2)C1 312469262 FOPYFCJJSDVPIY-IKGGRYGDSA-N 275.436 4.836 30 10 CJEE Cc1cc(Sc2cccc(C#N)c2)nc2ccccc12 312626789 IEZLVQVVUUUUBA-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE Cc1cc(Oc2cccc(Cl)c2N)c(C)c(C)c1C#N 312646437 SOJJMUURRATAFN-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)CCCO1 315227013 QFFPHUMNPCDKMN-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)s2)C1 317408647 CZIQUSVBCBGRAB-BXUZGUMPSA-N 270.825 4.730 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)CC[C@H](C)C1 318102926 RIVDNHCRXWKQCO-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 378892462 LZMCNJDDZWOQNW-LZLYRXPVSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCCC2(F)F)C1 382025931 BJZUVUVNERXTTI-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE C#Cc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 386501095 ADPBDFPEIBQMGK-UHFFFAOYSA-N 291.325 4.679 30 10 CJEE Cc1ccccc1[C@H](C)/N=C1/N[C@@H](CC(C)(C)C)CS1 393537299 AZOODWJZNGNEMO-KBPBESRZSA-N 290.476 4.553 30 10 CJEE C[C@@H](CC(C)(C)C)Nc1ccc(C(C)(C)C#N)cc1 395087691 YQPWZYNUKIPXSC-ZDUSSCGKSA-N 258.409 4.724 30 10 CJEE CCCCCCC[C@H](O)c1cc(F)c(F)c(F)c1F 395616757 QFWNPVLFSSMABS-NSHDSACASA-N 278.289 4.637 30 10 CJEE CCCCCCCN(C)Cc1cccc(Br)c1 404197350 OEMLQBOZKKNWEG-UHFFFAOYSA-N 298.268 4.851 30 10 CJEE CCCCCCCC[C@H](N)[C@H](C)OCc1ccccc1 404520169 VPDNBGKZGGPJEM-WMZOPIPTSA-N 277.452 4.670 30 10 CJEE N#Cc1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1 514261172 FDNMFBYZZKDJQV-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#CCc1cc(F)cc(-c2ccc(Cl)c(Cl)c2)c1 514262662 VFUURLZDEUIEDE-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CC(C)(C#N)CCSCc1cccc(Br)c1 515528235 SITVDYDRHMJURB-UHFFFAOYSA-N 298.249 4.622 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(-c2csc(C)n2)cc1 541742719 MNQGPZDAYGCFOO-CYBMUJFWSA-N 286.444 4.563 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C(C)C)cc1 665146603 XTJGFRPXTUWFRM-CALCHBBNSA-N 284.403 4.525 30 10 CJEE CCC(C)(C)CCNc1cccc(SC)c1C#N 686311371 MEWXNSALDSNZFK-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H](O)C(C)(C)C)C1 688308616 OFTKJFNIVQTAFJ-CYBMUJFWSA-N 265.441 4.530 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 689253961 CTKDFTJECKLGSV-DOMZBBRYSA-N 297.229 4.555 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCOC1)NCC 689573842 CXWSCGZOORJMIF-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCOc1cc(Nc2ccc(Cl)cc2C#N)ccc1C 690124380 CSVDBTDERCSKIN-UHFFFAOYSA-N 286.762 4.662 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)C1(C#N)CCC(C)(C)CC1 691105581 QUNMHYLETLALKP-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCNC[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 701035493 SGZVSBGBFROZPF-XSLAGTTESA-N 283.500 4.776 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H](C(C)C)C1 704039058 VJNDSEXNXMZTGH-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C#C[C@@H](N[C@H](C)c1cccc2ccccc12)C(C)(C)C 705318869 YIQJGOZOISIGOD-RDTXWAMCSA-N 265.400 4.538 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCCC[C@H]2C)CC1 709141181 GEMKMYKNHOHUMI-AQEOSJORSA-N 277.452 4.674 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714316803 UDACAOIONZBDGY-YESZJQIVSA-N 276.468 4.655 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1(c2ccccc2)CCC1 715745630 BNNQTVXRAKBJLO-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE Cc1cc(C)c(CNc2cc(C#N)ccc2Cl)s1 719446001 DZFKVXNGYKPUNH-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCSc1cccc(O[C@@H](CC)C2CCC2)c1C#N 719661596 IZYWZTYIZGHZQQ-AWEZNQCLSA-N 275.417 4.628 30 10 CJEE N#C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCCC1=O 722120376 QZHHPWGJJFJRHM-HNNXBMFYSA-N 296.197 4.579 30 10 CJEE C=C1CCC(CN[C@@H](C)c2nc3ccccc3s2)CC1 724447100 QUSVVRGWKOEDMJ-ZDUSSCGKSA-N 286.444 4.693 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccc(C)o2)CC1 724606904 YFGZDUGZTLSDGM-MRXNPFEDSA-N 261.409 4.765 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@]1(C#N)CCc2ccccc21 822147901 PJWSOEWYYSLIAU-OAHLLOKOSA-N 281.321 4.763 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC1CCC(C(C)(C)C)CC1 1126951480 ZIVUAXJJBJBABX-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H](C)c1ccc(CC)cc1 1127519379 JWZCMOILWPBKRC-HOTGVXAUSA-N 287.447 4.604 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 1127520929 XJGZZAHXWFKMMM-RDJZCZTQSA-N 279.468 4.844 30 10 CJEE C=CCC1(NC(=O)C[C@H]2CCc3ccccc32)CCCCC1 1129028259 FIMSAALRIOUEQT-QGZVFWFLSA-N 297.442 4.502 30 10 CJEE C=CC[C@H]1N(CCc2ccc(Cl)cc2)CCCC1(C)C 1193920285 LPNDAQRSKGMAIS-QGZVFWFLSA-N 291.866 4.949 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cc(C)cc(Cl)c1 1202797500 KLQXBEGSDVGRMI-LJQANCHMSA-N 299.845 4.925 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C)[C@@H](C)C1CCCCC1 1234224973 FINDCSXBAZWMDD-HNNXBMFYSA-N 294.483 4.589 30 10 CJEE C=CCC(CC=C)C(=O)NC1CCC(CCCC)CC1 1264775018 XRASSGQPEPPMQK-UHFFFAOYSA-N 277.452 4.620 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](C)c1c(C)cccc1C 1266299980 CCGDZCICGVYCPC-OAHLLOKOSA-N 272.388 4.676 30 10 CJEE C=C[C@H](CC(=O)NC[C@@H]1CCCC[C@@H]1CC)c1ccccc1 1274304266 PCVCDVQCYBQFIH-SCTDSRPQSA-N 299.458 4.679 30 10 CJEE C#Cc1ccc(NC(=O)CCCC[C@H](C)CC)c(Cl)c1 1289443774 RUMQFHCENFVLNK-CYBMUJFWSA-N 291.822 4.866 30 10 CJEE C=C(CC)CN(CC)Cc1ccc2ccccc2c1 1307429866 XRSFTSYJGNLIOX-UHFFFAOYSA-N 253.389 4.628 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(C(C)C)ccc1OC 1307949160 AHDGNRSMDJHRJY-HDICACEKSA-N 285.431 4.502 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H](C=C)CC 1351335384 BNLSAUUIPLGJOX-LBPRGKRZSA-N 297.851 4.518 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)[C@@H](CC)c1ccccc1 1354079263 PWJHBRMKJSGTON-INIZCTEOSA-N 273.420 4.589 30 10 CJEE C=CCCCCN1CCC[C@@H]1c1ccc(F)cc1C 1460237461 APGFEWCZTNARHM-QGZVFWFLSA-N 261.384 4.627 30 10 CJEE C=CCCC[C@H](NCC1CC=CC1)c1ccccc1 1460712703 WQYMPERGGHVUKE-SFHVURJKSA-N 255.405 4.640 30 10 CJEE C=CC[C@H](CC)NC/C(C)=C\c1ccccc1OC(F)F 1461459899 GBOQEFRCGQJWCQ-HVCHUGMYSA-N 295.373 4.636 30 10 CJEE C=C(C)CSc1nccn1-c1c(CC)cccc1CC 1472985742 UWAVXYKMJLBJQX-UHFFFAOYSA-N 286.444 4.665 30 10 CJEE C=CCCC[C@H](C)NCc1cccc(OC(C)(C)C)c1 1474085811 GDUKDQGMBAVCSS-HNNXBMFYSA-N 275.436 4.698 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)CC2CCCCC2)c1 1474134305 COMKMKBGHMDIJK-INIZCTEOSA-N 287.447 4.700 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)c2cccc(C3CC3)c2)C1 1474546906 SQUMZAJKKOBPFX-SPYBWZPUSA-N 269.432 4.959 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ncc(C2CCCCC2)s1 1515235085 IKIYAWAQGZJUGK-MRXNPFEDSA-N 292.448 4.732 30 10 CJEE C=C1CCC(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 1525031494 WLPYDMRONBJIEF-HZPDHXFCSA-N 291.479 4.702 30 10 CJEE C=CCN(C(=O)c1cccc(C(C)C)c1)c1ccccc1 1525887496 MOQHQNHMIXCMPB-UHFFFAOYSA-N 279.383 4.643 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](CC)C1CCCC1)c1ccccc1 1532560354 XOSIEHOKUHUAML-RBUKOAKNSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC(=O)NCC(C)(C)CC(C)C)c1ccccc1 1534027799 QYQJXPVDHTWOCC-MRXNPFEDSA-N 287.447 4.535 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(CC)cc1 1538891070 CMIVAZAAQRWICO-VQIMIIECSA-N 299.458 4.700 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CC)c1ccccc1)c1ccccc1 1538939498 WCGYGDLFSHXYTA-QZTJIDSGSA-N 280.367 4.651 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)/C=C\C1CCCCC1 1543792693 NZLXEVQBLWYREP-YPKPFQOOSA-N 297.442 4.728 30 10 CJEE C=CCC1(NCc2cccc3c(OC)cccc23)CCCC1 1560533215 KFRWQAHTUKTAIQ-UHFFFAOYSA-N 295.426 4.827 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)CCC(F)(F)F 1560962656 CRQKACTXBVEDKL-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=C(C)c1cccc(NC(=O)CC2CCCCC2)c1 1616751847 BWNDCOXDQVTHMF-UHFFFAOYSA-N 257.377 4.629 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)C(C)(C)CC)c1ccccc1 1617395377 VGHDCHVFDIFSNM-WBVHZDCISA-N 287.447 4.677 30 10 CJEE C=CC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1617573275 YWKOIORTVHQNJW-CGTJXYLNSA-N 299.458 4.677 30 10 CJEE C=CCCN(C[C@@H]1CCCC[C@H]1C)OCc1ccccc1 1642775056 YIWWFMIOVJPMMY-MJGOQNOKSA-N 287.447 4.823 30 10 CJEE C=CC[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 1654347426 CHGKRBJIJUSTKF-OAHLLOKOSA-N 297.364 4.536 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccccc1Cl 1655014302 GFSWPULUUZGJLG-ZDUSSCGKSA-N 251.801 4.689 30 10 CJEE C=CCCCCCCCNCc1ccc(Cl)o1 1656367094 XIOIKICWQVZFNJ-UHFFFAOYSA-N 255.789 4.549 30 10 CJEE C#Cc1cccc(NC2CCC(C)(c3ccccc3)CC2)c1 1657682137 JAJPJUDCVLXNSC-UHFFFAOYSA-N 289.422 4.980 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 1659664800 QEXBNFMIWVDJQU-ULQDDVLXSA-N 293.495 4.837 30 10 CJEE C=CCC1(NC(=O)Nc2cccc(C3CCC3)c2)CCCC1 1662285953 ZXVYWARAMKSGIN-UHFFFAOYSA-N 298.430 4.965 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCc2ccccc21 1663979827 MQFFPJQXBMZTEA-IBGZPJMESA-N 283.459 4.785 30 10 CJEE C#C[C@H](N[C@H](C)[C@H](C)c1ccc(CC(C)C)cc1)C(C)C 1664635360 JXGRESJLEKAPKP-QKLQHJQFSA-N 285.475 4.625 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)C=Cc2ccccc2)CC1 1878037635 ROTXVNGVPKISOB-JCNLHEQBSA-N 256.389 4.875 30 10 CJEE CC#CCCC[C@H](NC)C1CCC(CCCC)CC1 1879645631 YCOHZTKBCSRDSJ-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1CC 1879654777 ZQNPQFZFAPYXHS-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](CC1(CCOC)CC1)NCC 1882420798 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JFVLQRMNWMVUOF-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CCC[C@H]1O 2295678318 HCEHFSDTUWYLDB-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](C[C@H]1C[C@H]1C)NC 2295679803 SXLSMRXLBCDZCR-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NC)C1CCCC1 2295682130 MYDADZIATVJRJG-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE O=C(C=Cc1cccs1)c1cccc(-c2ccncc2)c1 2297634736 NUOLRZROPBQXEZ-UHFFFAOYSA-N 291.375 4.706 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(F)ccc1Cl 2304122664 NREXLMPIVMUVAK-ZIAGYGMSSA-N 256.748 4.505 30 10 CJEE C=CC[C@@H](C)[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2307639217 WNOPUPAIAKMBCQ-YMTOWFKASA-N 272.219 4.688 30 10 CJEE C=CCC(CC=C)SC[C@H](O)c1ccccc1Cl 2313524630 NIAHTDSMPMTELL-HNNXBMFYSA-N 282.836 4.627 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccccc1Cl 2316740246 ZTFDGMPNJOQVBW-MRXNPFEDSA-N 263.812 4.759 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](CCC)C(C)C 2316745674 ZQHLTBAUWLDUSL-IAGOWNOFSA-N 251.458 4.805 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)CC(F)F)NCC 2321108979 UXVXVXRBIXDARG-LBPRGKRZSA-N 261.400 4.638 30 10 CJEE C=CCC[C@H](CC[C@@H]1CCC(C)(C)C1)NCCC 2321631574 BBLPSNSUBWFLTI-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@H](N)C[C@](C)(F)C(C)(C)F 2327939631 HACWEGVASRQHHP-HIFRSBDPSA-N 263.416 4.931 30 10 CJEE CC(C)C[C@@H](CS)CO[C@@H]1CCCC(F)(F)CC1 2328526773 ZFEYDGVYRASFEO-CHWSQXEVSA-N 280.424 4.563 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1C[C@H]2CC[C@@H]1O2 2329960253 ZPDLVPYYJANKSR-OIISXLGYSA-N 266.425 4.654 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H]2C[C@@H]2CO1 2331053152 NBODAFNSEIGVKD-ZMSDIMECSA-N 266.425 4.511 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H]1OC 2333728369 UDLVIHIKKKGNDB-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCN[C@@H](C#CC1CC1)c1ccc(-c2cccs2)s1 2337572380 FCHMIWZGAXZICP-ZDUSSCGKSA-N 287.453 4.541 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](C#Cc1cccs1)NCC 2338392388 FVOWIQSUFGMSGF-RDJZCZTQSA-N 277.477 4.540 30 10 CJEE C=CC1CC(N(C)CCCc2cc(Cl)cc(Cl)c2)C1 2341137520 LVRJGHSRFPTSFI-UHFFFAOYSA-N 298.257 4.822 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CC12CCC(F)(F)CC2)NCC 2341931981 VGSNLSFDYIFJMJ-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccccc1F 2344337999 WAFZOXXLCXBZRL-SJORKVTESA-N 263.400 4.859 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CCCC[C@H]1C(F)(F)F)NC 2344347798 FKOWXKSYMPWZIJ-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc2ncsc2c1 2344382909 QSTINPJFSLYHQS-HOTGVXAUSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cc(Cl)ccc1F)NC 2344395118 HWJUISMFDPYLIC-CVEARBPZSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(C)c(C(F)(F)F)c1 2344408068 BKXHUTPEOLHHGU-UHFFFAOYSA-N 270.294 4.799 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@H](C(F)(F)F)C1 2353835244 RLSXFADWYKLPEY-RWMBFGLXSA-N 298.414 4.716 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353978207 VAEUYMQFXWFJMZ-XMTFNYHQSA-N 281.484 4.530 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]2c2ccccc2)NCCC)C1 2357775856 USAVRGBCXNIRRQ-YTQUADARSA-N 269.432 4.515 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2359312519 TYCZGEAEEXBLSO-FCGDIQPGSA-N 275.480 4.927 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2 2359766776 AUEYBSGBEUARFT-GUDVDZBRSA-N 269.432 4.648 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC[C@@H]2C[C@H]1CO2 2360180175 UARJLXHPNHCMOG-XDNAFOTISA-N 281.484 4.673 30 10 CJEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)c(C)c1 36930845 OGJSSSCMSABGQD-INIZCTEOSA-N 297.785 4.755 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)c2)CC(C)(C)C1 36973172 XLRMUVUIOVPRCQ-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE C=CCOc1ccccc1CNc1ccccc1SC 37278985 KSSMOSRYFZJYOT-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(C#N)Nc1ccccc1F 37938866 YGMHTKCQQOGDRQ-RDJZCZTQSA-N 274.383 4.736 30 10 CJEE COc1ccc(C)cc1C[C@H](C#N)c1cccc(Cl)c1 57762091 TUBHHVUYVJALLV-OAHLLOKOSA-N 285.774 4.507 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)C1CCCCC1 59246984 XTPZNUXVXUVCTL-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 59472172 QZVYTJMNPLWTOU-CYBMUJFWSA-N 289.379 4.627 30 10 CJEE CN(c1cccc(C#N)c1)c1ccnc2cc(Cl)ccc12 61957383 UWWAMEFTUOAFDK-UHFFFAOYSA-N 293.757 4.528 30 10 CJEE N#Cc1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 62398887 SJLNWAQAVRXTNC-UHFFFAOYSA-N 295.345 4.564 30 10 CJEE CCN[C@](C)(C#N)C[C@@H](C)Sc1ccc(C(C)C)cc1 68624421 HAOLLIORRDKHFE-PBHICJAKSA-N 290.476 4.572 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(Br)s1 70597987 HESGEZNUQDFLPP-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 79974275 SZIBNJCSLRNQQV-CYBMUJFWSA-N 262.784 4.592 30 10 CJEE C[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86881867 QAJWGUNWEHYHLM-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE Cc1ccc(/C=C2\CCC/C(=C\c3ccccc3)C2=O)o1 90396309 IIUCOTLEWXPKHU-UNZYHPAISA-N 278.351 4.808 30 10 CJEE CCC1CCC(N(C)C[C@@H](CS)c2ccccc2)CC1 94581282 INPMHSZSQQIPRV-NXYGQSRBSA-N 291.504 4.601 30 10 CJEE SC[C@@H](CSCc1ccccc1)c1ccccc1 94589027 GHEOOYSFIAWYIC-INIZCTEOSA-N 274.454 4.633 30 10 CJEE C=C(CC)CNc1c(Cl)cccc1C(F)(F)F 97208023 CSLDLRWKQCBMLE-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CCc1c(C)nn(CCCCCCCCCS)c1C 97799968 DLJHZCSRIPGVTL-UHFFFAOYSA-N 282.497 4.723 30 10 CJEE CCCCCCCO[C@@]1(CNCC)CCC[C@H](C)C1 110067901 BPCFOPMWGFAKTK-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCN(C)[C@](C)(CC)CN 110107693 LVGCVASKNZSCHV-GOSISDBHSA-N 284.532 4.967 30 10 CJEE CC(C)N(Cc1cccs1)c1ccc(C#N)cc1Cl 110255396 ZEKGUYLBMKPOBX-UHFFFAOYSA-N 290.819 4.688 30 10 CJEE CCN(c1ccc(C)cc1)c1ccc(C#N)cc1Cl 110257527 CHHZXOCWHRMMST-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCCCCCCOc1ccc(C[C@H](N)CC)cc1Cl 111890054 JVFPAKRNKOPAIU-OAHLLOKOSA-N 297.870 4.969 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(F)cc1 112884993 UDWNPWNQIQLQPB-MRXNPFEDSA-N 252.373 5.000 30 10 CJEE CCCCCCCCC(=O)Nc1ccc2c(c1)NCCC2 115859359 KJWMJGWRERIDGU-UHFFFAOYSA-N 288.435 4.734 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NCCC)C12CCCC2 117340016 RBXWEXVWJOTKAM-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCCn1cccc1CCN 117595692 BRHMUUYXTCORIU-UHFFFAOYSA-N 278.484 4.910 30 10 CJEE CCCCCCC[C@H](NCCC)C(C)(C)N1CCCC1 118144787 BHBKXCDHFYZWIO-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(CC)N(C)C 118153524 KUWWDRPFXIJFNX-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 123674924 IOEXMQOWLXWCDJ-IUODEOHRSA-N 276.811 4.838 30 10 CJEE C[C@H](Nc1c(F)cc(F)cc1Cl)c1cccc(C#N)c1 123977548 YEMDAWNCPKYASF-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCc1nc2c(F)c(F)ccc2[nH]1 125660556 KLVLNHJIVFOYJN-UHFFFAOYSA-N 266.335 4.744 30 10 CJEE CCCCCCC[C@H](Cc1ccc(F)cc1C)NC 132070069 GGTJKUZHAHOMBT-QGZVFWFLSA-N 265.416 4.625 30 10 CJEE Cc1ccnc(Oc2ccc(Cl)c3ccccc23)c1C#N 135092429 QQNOQBHFMYHOTB-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE C=C(CNc1cccc2ccccc12)c1ccccc1 148000449 FITJNLDZUNBAJV-UHFFFAOYSA-N 259.352 4.965 30 10 CJEE C=CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)(C)C 156152116 CLHIOULQUXVOHG-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1cccc(OC)c1F 158249525 LNYHSNCVTRZHFL-MRXNPFEDSA-N 296.426 4.878 30 10 CJEE N#Cc1ccc(Nc2ccc(F)c(C(F)(F)F)c2)cc1F 160499293 YQXQQEYHHGOSOR-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 163957644 FFYBNTGFAARTRK-NHYWBVRUSA-N 296.336 4.958 30 10 CJEE CC1=CC(=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)C=C(C)C1=O 197547667 MXABYNDKQVQWON-UHFFFAOYSA-N 296.410 4.506 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](O)[C@@H]1C 213126103 SIDHTAVZCBLVDK-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCCCC2)C1 222182702 MUGSMTQPBVJQIX-NUJGCVRESA-N 290.495 4.996 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CCOC2(CCCC2)C1 228787415 NODGYTQPGQKRKX-DLBZAZTESA-N 281.484 4.804 30 10 CJEE CCCCCCCCn1ccc2cc(C=O)ccc21 229644375 YXIIZPNOYCGJTK-UHFFFAOYSA-N 257.377 4.814 30 10 CJEE C[C@H](CC1CCC1)Nc1ccc(C#N)c(C(F)(F)F)c1 229697549 QVAANBOHWYVXQM-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2sccc2s1 229756731 HXNHYUGQXSLIGU-LLVKDONJSA-N 265.447 4.970 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCOC2(CCC2)C1 229829402 SLOJSJQMGSVPSF-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE Cc1ccc(Oc2ccc(C(C)C)cc2)c(C#N)c1 232788125 BKVGYVIQCFATMJ-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCn1ccc2ccc(C#N)cc21 232942120 RPDRKGDZLBANHB-UHFFFAOYSA-N 254.377 4.873 30 10 CJEE CCCCCCCCCCCC[C@@](CC)(CN)C(=O)O 232950545 IEPSVCKBERSDME-KRWDZBQOSA-N 285.472 4.737 30 10 CJEE CCCCCCC[C@@H](NCC)c1ncccc1Cl 232954716 QDPGITXKBSNMPT-CQSZACIVSA-N 268.832 4.746 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(SCC)cc1 233558205 UMPANCATZOGGQN-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=CCCCCCSc1ccc(C)c(C(=O)O)c1 235790455 ILBKQGORDKYKDC-UHFFFAOYSA-N 264.390 4.532 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 236210719 NFCKKNRUDODJTE-SNVBAGLBSA-N 293.263 4.696 30 10 CJEE C=C(C)CCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC 253214357 CGINIZVGXUVNOE-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CC[C@H](C#N)c1ccc2nc(C3CCCCC3)[nH]c2c1 258497262 BSFDLNYQOLNEEW-GFCCVEGCSA-N 267.376 4.628 30 10 CJEE CC(C)c1c(C#N)ccc2c(Br)cccc12 260707297 VNCBSVUJCPWQIM-UHFFFAOYSA-N 274.161 4.597 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 300277895 DRYLRRKMSTWFIE-ATIWLJMLSA-N 281.484 4.551 30 10 CJEE C=CCCC[C@@H](O)c1ccccc1OCc1ccccc1 309837765 IYUNTXXBJQCNRR-GOSISDBHSA-N 282.383 4.655 30 10 CJEE CC(C)c1ccc([C@]2(C)CC[C@@](C)(CC#N)O2)cc1 312119866 UIDRRVUETDIRAP-IRXDYDNUSA-N 257.377 4.508 30 10 CJEE Cc1ccc(NCc2cc(Cl)sc2Cl)c(C#N)c1 312755720 FILFHAKNPHUZAR-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE C=CC[C@H](C)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 382497276 JTTZSYPDAQHVRE-UOVPBQLFSA-N 257.421 4.513 30 10 CJEE CC(C)(C)c1ccc([C@]2(C)CC[C@](C)(CC#N)O2)cc1 383779031 SWBFSMJVVTYSTG-MSOLQXFVSA-N 271.404 4.682 30 10 CJEE CCCCCCCCCC[C@H](NC)C(C)(C)COC 395498492 ZOHWWAHSFALZCK-INIZCTEOSA-N 271.489 4.778 30 10 CJEE CCC1(CC)CCN(C[C@@H](C#N)C2CCCCC2)CC1 397141709 CHNJFSWBGLKLGX-QGZVFWFLSA-N 276.468 4.609 30 10 CJEE CCC1CCC(CNC[C@H](C#N)C2CCCCC2)CC1 397318503 QAFDBIOENRXFEM-HTWSVDAQSA-N 276.468 4.512 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@H]2C=C[C@H]1CC2 402398216 ZQHDBLPGPPWPEB-OKZBNKHCSA-N 263.469 4.929 30 10 CJEE CCCCCCCCCN1CCC=C(Br)C1 404134851 BEMKJJGGGQPCLZ-UHFFFAOYSA-N 288.273 4.722 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1cccc(C#N)c1 526901951 FQZPXGAZRCFRGZ-HXUWFJFHSA-N 291.460 4.558 30 10 CJEE CC(C)(C)N1CC[C@H](c2cccc(C#N)c2)c2ccccc21 616588665 BYBCIHCXHOZPGW-QGZVFWFLSA-N 290.410 4.699 30 10 CJEE C=C[C@@H](C)C1(CNCC)CC(C)(C)CC(C)(C)C1 688034437 VYFBJDIXJWVZGD-CQSZACIVSA-N 251.458 4.641 30 10 CJEE C=C(CNc1cc(CC)ccc1CC)c1ccccc1 689620611 NGZRTQFXWQOVJB-UHFFFAOYSA-N 265.400 4.937 30 10 CJEE C=CCC1(Nc2ncnc3sc(C)c(C)c23)CCCC1 690711615 UYHKPSISGRKDMN-UHFFFAOYSA-N 287.432 4.609 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 691050567 BKMXVHPTTMWHIA-BLLLJJGKSA-N 276.811 4.982 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)c(F)c(C)c1 694977325 OUEGBROUYFLSBU-HNNXBMFYSA-N 250.357 4.612 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CC12CC2 698153760 QDGVGQRWYMNXQM-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CCCc1ccccc1Oc1cc(Cl)ccc1C#N 699506806 NXWLNXSBJQFUMV-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE C=C(Cl)C[C@H](CCCc1cccs1)NCCC 710639285 RLTQDPXNSBDQTP-ZDUSSCGKSA-N 271.857 4.582 30 10 CJEE C=CC[C@@H](C)[C@H](CSc1cccc(Cl)c1)NCC 715801604 YTIFFNMFATZYRF-DOMZBBRYSA-N 283.868 4.622 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@H](C)c2ccccc2Cl)N1 716905737 AZPIPZBTCMLVQR-QJPTWQEYSA-N 296.867 4.651 30 10 CJEE CCCCCCCCCCCC[C@H](O)CC1CC(N)C1 718086362 DBTSSCBIMIVMHF-ABHNRTSZSA-N 283.500 4.786 30 10 CJEE C=C1CCC(CNc2cccc(SCC)c2C#N)CC1 724447333 UTEMWBWBDRCMKP-UHFFFAOYSA-N 286.444 4.829 30 10 CJEE C=C1CCC(CNc2cccc(OCC3CC3)c2)CC1 724544045 IIMPMTWBETZQAP-UHFFFAOYSA-N 271.404 4.634 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(C(C)C)cc2)CC1 724575734 QQXKJVTYWIGSHC-SFHVURJKSA-N 257.421 4.946 30 10 CJEE C=CCCC[C@H](C(=O)NCCCC(C)C)c1ccccc1 1124963121 SVVUNKMOMJRKRR-SFHVURJKSA-N 287.447 4.679 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cc(C)c(OC)cc1C 1128355091 OSLWRIJPSUHXGN-KDOFPFPSSA-N 290.403 4.519 30 10 CJEE C=CCCCNC(=O)c1sc2cc(C)c(C)cc2c1C 1128602976 DFUCFAOZCLCORM-UHFFFAOYSA-N 287.428 4.523 30 10 CJEE 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10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC[C@@H]1C(F)(F)F 2217675562 PJTXQNUCMZUEJV-AGIUHOORSA-N 265.363 4.523 30 10 CJEE C=CC(C)(C)CNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2218834454 CZZCLWWEODIWPW-UHFFFAOYSA-N 289.162 4.526 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CCC[C@H]1C 2220083043 DVPBPFITLRJIIA-GDBMZVCRSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCN[C@H](C)c1ncc(C)s1 2220093384 QXLQZUKWDQOSRU-CQSZACIVSA-N 266.454 4.629 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2220268689 MNYGMHLRKHPRSR-MWLCHTKSSA-N 284.186 4.606 30 10 CJEE CCCCCCCCCOCCCC[C@H](C)NC 2223199831 QTRHINSOZQDHKI-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@]1(C=O)C(F)(F)F 2223833214 CMRQWTZRZAYASV-OLZOCXBDSA-N 264.331 4.895 30 10 CJEE CCCCCCCC[C@@H](C)NOC1CCCCC1 2223852599 HNWQNMPRSIZKLX-OAHLLOKOSA-N 255.446 4.979 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225316703 HSAUFAPXKZSDJZ-VSZNYVQBSA-N 262.437 4.538 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H]1CC[C@H](CC)CC1 2225440070 ROZLOCVHHXLWOJ-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1sc(C)cc1C 2225829414 FEKNLAPBFIPUSO-MRXNPFEDSA-N 282.449 4.659 30 10 CJEE CC[C@@](C)(CCCC(C)C)OC(=O)CC1(CS)CC1 2226054143 NDJCWAHLDIFXCF-HNNXBMFYSA-N 286.481 4.625 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCC[C@H](OC)CC1 2227265657 MVWDNXAWIURKPZ-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@@H](N)c1nc(C2CC2)cs1 2227284285 BAJUQFAWRIBIHU-CQSZACIVSA-N 278.465 4.937 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1CC2(CSC2)C1 2227291980 WHSUYRBTADZLKT-MRXNPFEDSA-N 281.509 4.634 30 10 CJEE C=C(F)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2228029214 ZUAVQACNYDCXOQ-GFCCVEGCSA-N 295.707 4.883 30 10 CJEE C=CC[C@@H](C)OCCC(CC)(CC)CN[C@@H](C)CC 2230203269 LVVLUWVMKFLQQA-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE CCCC1CCC([C@H](C)NCC#CC(C)(C)C)CC1 2230511300 HFWODNUDRAPFNF-GTPINHCMSA-N 263.469 4.621 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233528566 CFJMMGCIATWAKD-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233647799 CSGSPUKVKQKBAS-JONQDZQNSA-N 285.422 4.782 30 10 CJEE O=C[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCC(F)(F)C1 2233718537 NYBQMQKIJHQNSQ-DZKIICNBSA-N 284.390 4.988 30 10 CJEE C=CCCCCCCCCO[C@H](C)CNCCC(C)C 2234032803 CJJWOFRQIXPRET-GOSISDBHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@@H](Cc1cscn1)NCCC 2235514101 QJGDHGSUKSMRPR-INIZCTEOSA-N 294.508 4.971 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCO[C@@H](C)C1 2235524421 PUMRBNZERAPVKM-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](N)c1nccn1C(C)(C)C 2235527014 QUZPDAMQYXXNNQ-HNNXBMFYSA-N 277.456 4.555 30 10 CJEE C=CCCCCCCCC(=O)c1ccc2c(c1)CCN2 2235538157 HAVQQFZHUHELDC-UHFFFAOYSA-N 271.404 4.754 30 10 CJEE C=CCCCCCCC[C@H](O)COc1ccc(Cl)cc1 2235541185 FNDIKMVNYMVUIO-INIZCTEOSA-N 296.838 4.996 30 10 CJEE CCCCCCCCCCN1CCC[C@H](OC(F)F)C1 2235660003 ZLILMABWPSBMPL-HNNXBMFYSA-N 291.426 4.831 30 10 CJEE N#CC1(Cc2cccc(Cl)c2[N+](=O)[O-])CCCCCC1 2236883084 DSLREVOLNOWSMY-UHFFFAOYSA-N 292.766 4.655 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCC[C@@H](C(C)(C)C)C2)CC1 2238155896 LOCZEKJIAREROI-XPJGSDBHSA-N 277.452 4.674 30 10 CJEE N[C@]1(C#Cc2cccc(Cl)c2)CCCC12CCCCC2 2239561057 BBPREEORCLAFJB-SFHVURJKSA-N 287.834 4.523 30 10 CJEE CCCC[C@@H](C)CC[C@H](O)C#Cc1ccc(CC)cc1 2239638710 QRRAVZMUFZZONF-APWZRJJASA-N 272.432 4.568 30 10 CJEE CCCCCCCCCC(=O)c1ccc(OC)nc1F 2239861258 CHWVOJNMRAUZSU-UHFFFAOYSA-N 281.371 4.553 30 10 CJEE CCCCCCCC[C@@H](C)N(CCC)CC(C)(C)CN 2240556226 NOQIJQUGWHYJSG-QGZVFWFLSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCN1C(C)(C)C 2240640759 TZBMPILKZSADSN-IRXDYDNUSA-N 282.516 4.588 30 10 CJEE CC1CC(CS)(CSCCCCC2CC2)C1 2242880855 CYCVWAWRWXPKGW-UHFFFAOYSA-N 258.496 4.646 30 10 CJEE CCCC[C@H](CC)Oc1ccc(C#N)c(Cl)c1 2249948440 ICTLGHNCYHUIKT-LBPRGKRZSA-N 251.757 4.559 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1cc(Cl)c(OC)cc1Cl 2255401435 IJUHTSMIHPTDHF-LKFCYVNXSA-N 289.202 4.638 30 10 CJEE C=C([C@H](NCC)c1csc(C2CC2)c1)[Si](C)(C)C 2256048685 UXPYUEGASQKRIG-HNNXBMFYSA-N 279.525 4.710 30 10 CJEE CCCCCCCC[C@H](N)c1csc(C)c1OC 2259136539 CYAPPZKZPSKHFL-AWEZNQCLSA-N 269.454 4.816 30 10 CJEE C=C(C)CCCC[C@]1(N)C[C@H](C)CC[C@H]1C(C)C 2259186345 BYLWVIZAHKYGIW-IKGGRYGDSA-N 251.458 4.913 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl 2260240859 QJTYIOPEOPTHCH-NXEZZACHSA-N 290.209 4.995 30 10 CJEE C=CCCCSCC[C@@H]1CCCC[C@H]1NCCC 2260265142 AQZYESADAGOTTE-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ccsn1 2263711176 IEBAOQRRBLVFHI-AWEZNQCLSA-N 268.470 4.762 30 10 CJEE C#C[C@H](CCC)N[C@H](C)CCCCCCCCC 2263717174 GCUVPVZVYYUPOE-IAGOWNOFSA-N 251.458 4.907 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H](C)OC 2263717925 MHMQYRWNJUUCKV-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C[C@@H]1CC[C@H](C)C1 2268675964 QSQPKDCKODSEHX-FCEWJHQRSA-N 285.497 4.996 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCC(C)(C)C1 2268750654 NUBAPVUFHKEBEC-HZPDHXFCSA-N 262.437 4.560 30 10 CJEE CC(C)C1CCC(N)(CC=CC#CC(C)(C)C)CC1 2268751073 SOXJENCQBQJYGG-UHFFFAOYSA-N 261.453 4.526 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)cc1 2268761183 JUAJYTKCHMFTPZ-MRXNPFEDSA-N 275.823 4.596 30 10 CJEE C[C@H]1C[C@@H]1CCCCCNc1ccc(Cl)cc1C#N 2269518289 PRFAKWYPAWYJSG-STQMWFEESA-N 276.811 4.840 30 10 CJEE C=CCCCCCCCSc1cccc([C@@H](C)O)n1 2271590863 NQUGFUZRFZJRMM-CQSZACIVSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)NCC 2271780521 GSLLCKXVXNZKFQ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCCC(F)(F)C1 2271834845 KKSCNSOMHWFAJZ-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CC1CC2(C1)CC(CC1(C=O)CCC3(CC1)CC3)C2 2272167409 XERKTJMKVWECMJ-UHFFFAOYSA-N 260.421 4.742 30 10 CJEE CN[C@@H](C#CC1CCCCC1)CC1CCCCCC1 2273977222 QHNBNUOGACMJMT-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC[C@H]1C 2276757128 XSXAWLFKZHXBGZ-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@H](C)C1 2276784933 NSEBIQLBOGLNGB-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@H]1CC 2276795159 BSEDJGCRCSUALU-SJORKVTESA-N 269.473 4.661 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccc(Cl)c(F)c1)NC 2277789540 CJSLJJGKHIDARK-CQSZACIVSA-N 283.818 4.746 30 10 CJEE C=C(C)[C@](C)(CCCCCCCCC)OCCCN 2278236812 PSVMHBGISCJSEM-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CCCC[C@H]1C[C@H]1C 2280511774 BPNRJSUWVJBWKJ-IKGGRYGDSA-N 282.468 4.883 30 10 CJEE Cc1c(Oc2cc(Cl)cc(C#N)c2)ccnc1C(F)F 2283122229 WJRXUBBZGBKEMQ-UHFFFAOYSA-N 294.688 4.645 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CCCC[C@@H]1C(C)(C)C 2284075169 DBXIQCROWXILNX-APWZRJJASA-N 276.464 4.950 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1c(F)ccc(Cl)c1F 2284086535 SAUWCBMLMZGVMS-CYBMUJFWSA-N 297.776 4.614 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1CCCCCCC1 2284099205 QGPJTMQSHYRIHC-GOSISDBHSA-N 275.480 4.931 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc2c1CCCC2 2285251987 UXZNRXMDSSECHK-UHFFFAOYSA-N 283.758 4.883 30 10 CJEE C=C(C)CCCC[C@]1(CNCCOC)CC[C@@H](CC)C1 2287371854 GPRQAXSJXDRKSC-MSOLQXFVSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1cccc(OC(F)F)c1 2287403296 URXQNASVOIDGPX-MRXNPFEDSA-N 284.346 4.632 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cn(C(C)C)nc1C 2287464673 BNGOJRFEKKWQAK-QGZVFWFLSA-N 277.456 4.560 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)[C@H](CC)CCC 2287664243 TUKAEEUVWHYUSY-FGTMMUONSA-N 285.516 4.902 30 10 CJEE CCCNC[C@H]1CCCCC[C@H]1CC#CC1CCCC1 2289873558 FCGHUIWWWCBJNC-RBUKOAKNSA-N 275.480 4.766 30 10 CJEE Cc1ccc(N[C@H](C#N)C2CC(CC(C)(C)C)C2)cc1 2289963873 QUIXYDPVJYEOTQ-VMBOVVBDSA-N 270.420 4.762 30 10 CJEE C=CCCCCCCC[C@H](CC1CCC1)OCC(=O)O 2291813110 DFWJNMYGMCSTNM-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCCN)c1c(C)nsc1C 2292759396 VVVVJOMRMZQYKN-HNNXBMFYSA-N 298.496 4.527 30 10 CJEE C=CCCCCCC[C@@H](OCCN)C1CCC(C)CC1 2292797197 BTHQMAKEKWUYEX-DAWZGUTISA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)C1(C)CCCCCC1 2292897436 WZKNDSSIORIHRB-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CC(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 2294769502 OEYBXXHAXLDXAA-UHFFFAOYSA-N 286.758 4.521 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(CCC)C1CC1 2295521603 DGBCPXXALDEMLR-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nc(C)ccc1F 2295577818 AWKTXTXNBQRBSG-KRWDZBQOSA-N 280.431 4.844 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CC1CC(C)C1 2295675755 FGMBXLVMVMPOBG-FOIPXRHGSA-N 283.500 4.642 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cccc(Br)c1 2304085538 FKPFMWOIFDUEOG-HNNXBMFYSA-N 295.220 4.553 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(F)cc(Cl)c1 2304118618 BNDIYRNKJAGEAT-KGLIPLIRSA-N 256.748 4.505 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C 2313215531 MAGPWYWVBLIZQX-BFYDXBDKSA-N 251.458 4.913 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)[C@@H](C)CC 2313524614 NEONJBKJRXDKPF-GOEBONIOSA-N 269.498 4.655 30 10 CJEE CCCCCCCCCCC[C@H](O)C#CCSC 2314627848 RRDGMKWINOVKRE-INIZCTEOSA-N 270.482 4.635 30 10 CJEE C=CCC(CC=C)[C@@](CC)(CCCC)CNCC 2316734820 VZTGSMIDTVQVEC-KRWDZBQOSA-N 251.458 4.951 30 10 CJEE C=CCCCCC[C@H](CCC[C@H]1C[C@@H]1C)NCC 2318928918 FPKPHYIMAOVWGR-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@@H]2CC[C@@H]2C(C)(C)C)CCS1 2320314563 KGBKAWIJOUVHRI-HOSILWTGSA-N 268.466 4.550 30 10 CJEE N#C[C@@]1([C@@H](CC2CC2)C2CC2)CCCC(F)(F)C1 2320695765 JNUXVTAYEJIVOL-UONOGXRCSA-N 253.336 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C)c(Cl)c(C)c1 2321095093 GARAPDCZVCOXPV-JKSUJKDBSA-N 265.828 4.949 30 10 CJEE C[C@H]1CC(OC[C@@](C)(CS)C(C)(C)C)C[C@H](C)C1 2327098816 CIDHSHCIUBIOTC-IOASZLSFSA-N 272.498 4.810 30 10 CJEE CCCCCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@@]2(C)N 2327773600 LXUAKSIYWGSCAC-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330172044 RDMIXDYUMLJERU-QPSCCSFWSA-N 273.411 4.616 30 10 CJEE C=CCCCCCCCS[C@H]1[C@@H](N)C[C@@H]2CCC[C@@H]21 2334654540 SAVKFQBTCFPNET-LUKYLMHMSA-N 281.509 4.762 30 10 CJEE C=CC[C@H](C)Sc1cc(C)c(F)cc1[C@H](C)NCC 2335232823 TXZHROKGCSDBGX-STQMWFEESA-N 281.440 4.861 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1[C@H](C)NCCC 2335232962 UYUMWIOCQVWWJW-OLZOCXBDSA-N 281.440 4.943 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 2337156094 LOTNVAPTNWUXTE-CJNGLKHVSA-N 298.257 4.870 30 10 CJEE 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C#CCCCC[C@H](NCCC)c1cc(C)c(C)s1 2053240975 WCCSHOYFXUSJNB-HNNXBMFYSA-N 263.450 4.599 30 10 CJEE CCCCCCCCCO[C@H](CN)CC(C)(C)C 2056065417 ACWHMMCJRGEAES-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE CCC1CCC(C=O)(CC2CC(C(C)C)C2)CC1 2056725819 PVPKLAWGXKHFFE-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1CCCSCC1 2059111870 OQRYHYXEEBVCTR-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE C=CCCCCSc1ccc([C@H](C)NCC)cc1 2059114958 OCQZKHAEUGJLQI-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE CCCCCCCCNC1(C(F)F)CC(C)(C)C1 2059380257 LKLNJRVQRPVXCQ-UHFFFAOYSA-N 261.400 4.760 30 10 CJEE C=C1CC(C[C@@H](NC)c2cccc3ccsc23)C1 2061729818 APRZZLPMERSLBK-OAHLLOKOSA-N 257.402 4.518 30 10 CJEE C=C(F)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2062223705 ZSKNGPCVHDBFFO-LBPRGKRZSA-N 290.209 4.777 30 10 CJEE CC[C@](C#N)(CCCCC1CCOCC1)C(C)C 2064494836 UMAYMAXHYHZYBY-MRXNPFEDSA-N 251.414 4.549 30 10 CJEE CCCCCCCCCC[C@@H]1CC(F)(F)C[C@@H]1N 2069424325 PMIPHHCDAQWQEV-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE 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2142447955 XRGVPUCSBVTAFO-FOIPXRHGSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)[C@H](C)CCC(C)C 2142465574 ZICDXGGOPDTVJT-HZPDHXFCSA-N 270.457 4.739 30 10 CJEE CCCCCCCCCC[C@H](NN)c1nc(C)sc1C 2144804323 XFFWQVPTBWBFDT-HNNXBMFYSA-N 297.512 4.795 30 10 CJEE C=CC[C@H]1CCCCN(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)C1 2145886257 SANKWUPDTOLZOC-XLAORIBOSA-N 275.480 4.737 30 10 CJEE CCCCCCCCCC(=O)[C@]1(O)CC[C@H](C)C[C@H]1C 2147099217 CUIASVFFWYVIKW-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@](C)(O)c1cccs1 2148594332 FSZASDRQOZSETD-NVXWUHKLSA-N 297.508 4.814 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(O)CC1CC1 2148607787 JZXIAGHEWJNMHP-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CC1(C)CCC[C@@]1(C#N)Cc1ccccc1C(F)(F)F 2149427326 FYKZEQBFJFIXRW-HNNXBMFYSA-N 281.321 4.968 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CC#CC1CCCCC1 2149849375 GSQJCSYESAZIIX-QRQLOZEOSA-N 276.464 4.784 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1cccc(Cl)c1F 2149850956 QVSRWTASWIXJEJ-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2nccn12 2151748499 DNLPIRPBNXWSON-INIZCTEOSA-N 274.408 4.508 30 10 CJEE CC(C)(C)C1CCC(C=O)(C2CC(C(F)(F)F)C2)CC1 2154493996 JAPYHMAXCDSYBL-UHFFFAOYSA-N 290.369 4.997 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@@H](OC)C1(C)C 2156638787 JJMVECWFYXXSOM-DLBZAZTESA-N 283.500 4.778 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CCC(C)(C)CO2)CC1 2157092420 SHLITIVDJAVJEY-YJBOKZPZSA-N 280.452 4.757 30 10 CJEE C[C@@H]1CCO[C@H]1CCC1(C#N)CC(C)(C)CC(C)(C)C1 2157351072 WKCMAJNMJPAPQK-CABCVRRESA-N 277.452 4.938 30 10 CJEE C=CCC[C@@H](C)[C@H](Cc1cccc(Cl)c1F)NCCC 2158320891 PDLWJOHKSSRXJS-CJNGLKHVSA-N 297.845 4.992 30 10 CJEE C=CCC[C@@H](C)[C@H](N)C1(c2ccccc2)CCCCC1 2158326544 DCXYAPHGDXSTDO-AEFFLSMTSA-N 271.448 4.818 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)C1CCC(C)(C)CC1 2158429318 MYYKALUWQDXNLU-GFCCVEGCSA-N 274.383 4.714 30 10 CJEE CC[C@H]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)CC1 2159514038 GGUPQUHFSPHYOF-QWHCGFSZSA-N 291.826 4.625 30 10 CJEE C[C@@H]1C[C@H]2CCCC[C@H]2N(c2cccc(Cl)c2C#N)C1 2159918194 OURWTWZLDIQXOY-XJKCOSOUSA-N 288.822 4.617 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCO[C@@H](C)C1 2161599823 CCKZPDSTURADTD-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC(F)(F)C[C@@H]1OC 2162093567 OAHWNVVRZOMDHQ-ZNMIVQPWSA-N 291.426 4.528 30 10 CJEE N#C[C@]1(C[C@@H]2CCC=CCCC2)CCc2ccccc21 2163712344 ZXRPMXRKBXGTBH-VQIMIIECSA-N 265.400 4.921 30 10 CJEE CCCCCCCCCC(=O)c1cnc2ccccn12 2163953467 OGPKTJZZLQRFFC-UHFFFAOYSA-N 272.392 4.658 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(C)c(OC(F)F)c(C)c1 2164167986 IJJPLIXKOATLHA-CQSZACIVSA-N 283.362 4.522 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](C)(O)C1CCC(F)(F)CC1 2164476951 FPHBXBMRYFGEPT-LSDHHAIUSA-N 287.394 4.673 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)C1CCC(C(C)C)CC1 2164477429 JXPHXZLMCHPNMC-HIEASXQVSA-N 279.468 4.920 30 10 CJEE CCCCCCCCO[C@](C)(CNC)C1CCCCC1 2167599762 SWMORSPAOJVXBH-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)C1CC2(CCCCC2)C1 2167603962 NADOIPSSPILCME-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE C=CC1(CC(=O)C2(OCC)CCC(C)(C)CC2)CCC1 2168007679 NJPWUCMOXZACTK-UHFFFAOYSA-N 278.436 4.677 30 10 CJEE C=CC[C@H]1CCCN1Cc1csc(C2CCCCC2)n1 2169842300 FYNZTPZABCKXBL-INIZCTEOSA-N 290.476 4.731 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C(C)(C)C)nc1 2170368185 FMIFDIOBEVVYAY-YOEHRIQHSA-N 274.452 4.632 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C2(O)CCC(CC)(CC)CC2)C1 2171440054 QOCYSDHCELTYCN-DOTOQJQBSA-N 277.452 4.818 30 10 CJEE CC(C)(C#N)CCCN1CCCC[C@@H]1C1CCCCC1 2171661256 UEBOPHRTDDUXOQ-QGZVFWFLSA-N 276.468 4.751 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc2c(s1)CCCC2 2173470968 NPMXHHPSMDFYRD-INIZCTEOSA-N 289.488 4.861 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCCCC23CC3)cc1 2173533593 RLRSCFYNWRSSDU-MRXNPFEDSA-N 268.404 4.622 30 10 CJEE CC(C)CNC[C@@]1(CC#CC2CC2)CCCCC1(C)C 2173641312 COJRZXZUPZBSGV-IBGZPJMESA-N 275.480 4.622 30 10 CJEE C=C=CCC[C@@H](NCCC)[C@@](C)(O)CCCCCCC 2182052358 ABWSTAMPQSUTIG-MSOLQXFVSA-N 281.484 4.587 30 10 CJEE C#CCCCCC[C@H](C[C@@H]1C[C@H]1C(F)(F)F)NCCC 2185274601 VKYATCKQLJWEHN-RBSFLKMASA-N 289.385 4.527 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc(C(C)(F)F)n2)CC1 2185866122 MLSCSBKKYDOUOP-NSHDSACASA-N 279.330 4.513 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@](C)(N)C1CCC1 2186760399 KMBCOYSZUZUJQK-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCC[C@H](C[C@H]1C[C@H]1OC)NC 2188195058 HXDKKKZHYBDOQZ-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)C1(CC(C)C)CC1 2189887747 GKRKCUYUVPUQLO-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)[C@H](CC)C(C)C 2190482606 QNEDJXRWVRMESW-FGTMMUONSA-N 285.516 4.758 30 10 CJEE CCCC1CCC(CN=C2NC[C@H](CC(C)C)S2)CC1 2192877807 WQFDSZROKPVSML-GPANFISMSA-N 296.524 4.700 30 10 CJEE CCSc1cccc(N(C)[C@H](C)C(C)(C)CC)c1C#N 2193164285 YUCCKPUONNYSJV-CYBMUJFWSA-N 290.476 4.931 30 10 CJEE CCCCC[C@@](O)(CC)[C@@]1(C#N)CCCCC12CCC2 2193626679 BDVGOPIHYSNYTB-MSOLQXFVSA-N 277.452 4.962 30 10 CJEE CC#CCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 2194059947 SJIPZUUEJHMNEH-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@]12CCOC[C@@H]1C2 2194468057 IKZPUXOBANLSKP-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE N#C[C@]1(C[C@]23CCCC[C@@H]2C3)CCc2ccccc2C1 2194521961 ODFJMOACWANVIF-GUDVDZBRSA-N 265.400 4.656 30 10 CJEE CC#CCCCCOc1ccc([C@@H](C)NCC)cc1Cl 2196174117 KPIYONMQKDSERP-CQSZACIVSA-N 293.838 4.583 30 10 CJEE CCCCCCCCN(C)[C@H](CC)CNC(CC)CC 2196704178 LIQUFBNCMJBFER-GOSISDBHSA-N 284.532 4.836 30 10 CJEE CCCCCCCN(C)CCOc1cc(C)cc(C)c1 2196712752 GQPMMBURCMWDAN-UHFFFAOYSA-N 277.452 4.584 30 10 CJEE CCCCCCCN(C)[C@@H]1CC(CC)(CC)CC[C@H]1O 2196725346 GTHGANDOLIPKAZ-IAGOWNOFSA-N 283.500 4.608 30 10 CJEE C#CC[C@H](C[C@H](NC)c1csc2ccccc12)C1CC1 2196835257 AOYIMJBVXUOIRN-PBHICJAKSA-N 283.440 4.601 30 10 CJEE C#CC[C@@H](C)C[C@@H](N)c1ccc(-c2ccccc2F)s1 2196858401 NJJGVLRJPHAXDP-IUODEOHRSA-N 287.403 4.604 30 10 CJEE C=C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)C1CCC1 2197821856 GAKFIYLJKNWMCJ-KUHUBIRLSA-N 269.432 4.571 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1C[C@H]1C1CCCCC1 2200049040 VRMUXJRKUZFREU-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC)c(F)c1F 2201634994 USIYAPPGRDDTPK-CYBMUJFWSA-N 285.378 4.594 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1ccsc1OC 2203811184 UNXFRJXBSDIJGG-MRXNPFEDSA-N 293.476 4.771 30 10 CJEE C#CCCCCCN[C@H](C)c1ccc(C(C)(C)C)cc1 2206333663 GPPCHAPAHDXTNI-MRXNPFEDSA-N 271.448 4.828 30 10 CJEE C=CCCCCCC[C@@H](N)c1cccc2ncccc12 2206891812 NAXWEKCYQRCLDG-QGZVFWFLSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1C[C@@]12CC2(F)F 2207374660 CRZILKHKLGHDCF-HZPDHXFCSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCCN1CCOCC[C@@H]1CC 2207380826 CNLQQKGNQLTTQF-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC[C@H](N)C[C@H]1CO[C@@H](C)C1 2207429604 KWZLEDSFUKUZDF-BZSNNMDCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1CCOC(C)(C)C1 2207435659 KBFSNBSGDYDYKF-IAGOWNOFSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CC2(CC2)CO1 2207437842 RLKUIAJACNGEKV-QGZVFWFLSA-N 278.436 4.822 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCCC)c1cccs1 2207445588 BQNHYHRXRNAGQS-DOTOQJQBSA-N 297.508 4.900 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCC1(C)CC1)NCC 2207447491 XBRBJNJJOVICGQ-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](O)C1(CN)CCC(C)(C)CC1 2207453132 KEEBYLVZOGCDLY-INIZCTEOSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCC(F)(F)CC)NC 2207469405 NCMABTJMBOWBDT-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE C=CCCCCCC[C@H](N)c1scc(C)c1C 2213642703 VCXDUMUHYOMQHY-AWEZNQCLSA-N 251.439 4.891 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1csc(Cl)c1 2217148918 RSAGAMPBWYNEHU-FZMZJTMJSA-N 271.857 4.524 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)C(F)(F)F 2217313040 JBCCVLCGWACQIW-VXGBXAGGSA-N 253.352 4.666 30 10 CJEE CC(C)(C)CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2218646731 DHONUAXMKFYEGJ-NSHDSACASA-N 284.186 4.606 30 10 CJEE C=CCCCCCCCN1CC[C@@H](CC(C)C)C1 2220093490 RCNGOYARYMTEDD-KRWDZBQOSA-N 251.458 4.881 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](F)C1CCC1 2220874845 WRXOMSGFINPNPQ-HOTGVXAUSA-N 255.421 4.629 30 10 CJEE C#CCN(CCCCCCCC=C)C1CCCCC1 2227281463 GOKCUTBCYCKCNT-UHFFFAOYSA-N 261.453 4.781 30 10 CJEE C=CCCCCCCC[C@]1(N)CC[C@H](P(C)(C)=O)C1 2227289126 YNIVRGFDIDKFCR-HOTGVXAUSA-N 285.412 4.776 30 10 CJEE CCCCCCCCO[C@@H](CN[C@@H](C)CC)C(C)C 2230216430 SVFRGVOLKTWEPD-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCCOCC(=O)C1CC1 2231020642 CBYHFJMWXCSDCF-UHFFFAOYSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCCCOC[C@H]1CC[C@@H]1CN 2231075789 GUGRDLLUZRRVPJ-IAGOWNOFSA-N 269.473 4.519 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(Cl)ccc1F 2231534532 BKJSLQGXOHUNDT-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@]1(C)CCCC1(F)F 2231541779 AJZDKGMDEAAVDR-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE CCCCCCCC[C@H](C)NCCCOCC1CC1 2231927360 FCWCUKKJWORZBQ-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CO[C@H](CCC)C1 2231946035 LYCCHNFKDVEYHH-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE N#Cc1ccc(OCC2C[C@H]3CCC[C@H](C2)C3)c(Cl)c1 2233727973 LYVLDLSYDMIFMM-STQMWFEESA-N 289.806 4.807 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@]1(C)CCCCC1(F)F 2233781145 FGTODVQXXFWAEV-HOCLYGCPSA-N 285.422 4.620 30 10 CJEE C=CCCCCCCCCOCC1(CNCCC)CC1 2234058264 QXJDBSCDZQVUJV-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCOC12CCCCC2 2235519682 SIKJXYLGSQHMRB-QGZVFWFLSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)c1ccccc1Cl 2235519947 VLGFSFVQMPZAGY-IAGOWNOFSA-N 295.854 4.617 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc2c1COC2 2235521546 KHNVCUHWTHTJIO-SFHVURJKSA-N 273.420 4.633 30 10 CJEE C=CCCCCCCCC(=O)c1cccc(N(C)C)c1 2235525641 CECPVWKRJGKQII-UHFFFAOYSA-N 273.420 4.852 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@@H]1C(C)C 2235527318 UKRNQTCEHIHPTP-AEFFLSMTSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CCC[C@@H](C)CC1 2235531811 DGGFPRVUARTDRP-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1cc(F)ccc1F 2235534430 YSKBVRFHUJWXMT-MRXNPFEDSA-N 282.374 4.785 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CC[C@H]1OC 2236147552 QSTZFCZZDCTMLB-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CC1(C[C@]2(C#N)CCCC(C)(C)C2=O)CC2(CCC2)C1 2236603089 WRDLMVWQPCOKJW-SFHVURJKSA-N 273.420 4.636 30 10 CJEE Cc1cc(Cl)cc([C@](C)(N)CC#CC2CCCCC2)c1 2237892859 KXTJHLLXSATXIY-GOSISDBHSA-N 289.850 4.796 30 10 CJEE CCCCCCCCCOc1nc(Cl)nc2cc[nH]c12 2239438920 KMRGYSTWZUKGHU-UHFFFAOYSA-N 295.814 4.741 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC2(CCC2)[C@H]1N 2239469489 UTYJCVCNXGJRNW-SJORKVTESA-N 281.484 4.804 30 10 CJEE C=C[C@H](CCCCC)O[C@]1(C(=O)O)CCC[C@@H](CC)C1 2239506757 DFBCHJQJXQAIJM-BFYDXBDKSA-N 282.424 4.562 30 10 CJEE CCCc1ccc(C#C[C@@](O)(CC)C[C@@H](C)CC)cc1 2239655732 QASUHNXIBFWCFD-LPHOPBHVSA-N 272.432 4.568 30 10 CJEE C#Cc1ccc(CN[C@H](C)CCCCCCCC)cc1 2240638573 VOKRJNJAAIWUNL-QGZVFWFLSA-N 271.448 4.897 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc(OC)c(O)c1 2240646604 BDTUMFSYCBKFGB-AWEZNQCLSA-N 279.424 4.952 30 10 CJEE CCCCCCCC[C@H](C)NCCCCN(C)C(C)C 2240648799 MEPCGGSLUYWLDI-SFHVURJKSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)C(C)=C(C)C 2240667817 ZOQJBYQPETZNKR-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1csc(C)c1C 2246374533 XIQBTBFERMYCGW-ABAIWWIYSA-N 251.439 4.618 30 10 CJEE C=C(C)C[C@H](NC)c1cc(Br)cc(C(C)C)c1 2247239636 ZBCZHPREOGWKRH-HNNXBMFYSA-N 296.252 4.799 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(Cl)ccc1C 2250166716 KYBDUOMTDPPQRB-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE CC1(CSc2cc(Cl)c(C#N)cc2F)CCC1 2251755673 SINSVEJISLWIQW-UHFFFAOYSA-N 269.772 4.633 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CC)C[C@H](NCCC)C1 2258991798 YDDJTPXVRQCMEM-HRCADAONSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@H](CO)Cc1cccc(Cl)c1 2259244821 PAFMQUGGJJOXTA-HNNXBMFYSA-N 266.812 4.628 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(SC)nc1 2264567244 BBBUWAUWICHXSI-AWEZNQCLSA-N 280.481 4.642 30 10 CJEE CCCCCCCCCC=C1C[C@H]2CSC[C@@H](C1)N2 2270394960 HDZZHWAMVXXYHJ-CALCHBBNSA-N 281.509 4.921 30 10 CJEE Cc1cc(Nc2cc(C)c(C)c(C)c2)ccc1C#N 2270593276 JBLQDUYLPBDUHS-UHFFFAOYSA-N 250.345 4.536 30 10 CJEE C=CCCCCCCCSC[C@@H](N)c1ccccc1 2271595788 BSBFWWXXGKMIAX-QGZVFWFLSA-N 277.477 4.946 30 10 CJEE C=C([C@H](NCCC)c1csc(C)c1OC)C(C)(C)C 2271695934 FINGLHKJVVQGLE-AWEZNQCLSA-N 281.465 4.708 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C[C@@]1(C)C(F)(F)F 2271792971 YTTYEURNDHDEQB-MELADBBJSA-N 277.374 4.690 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](CC)CCC 2272052633 PKSSTJBVLRBAEJ-WMZOPIPTSA-N 259.437 4.894 30 10 CJEE CC[C@H]1CC[C@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2273948526 DSMUZCJGAZSJBM-QWHCGFSZSA-N 287.419 4.875 30 10 CJEE CCCCCCCCC[C@H](C#CC1CCCC1)NC 2273996549 ZUNISTZDBGWURX-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(N)C#CC2CCCCC2)C1 2273997520 ZUSZZMAAXNQXAB-SJLPKXTDSA-N 261.453 4.504 30 10 CJEE CCCCCCCCN1CC[C@]2(CCC(F)(F)C2)C1 2277727698 LMDMGZWSZWSJAO-HNNXBMFYSA-N 273.411 4.858 30 10 CJEE CCCCCCCC[C@@H](O)C#Cc1ccccc1Cl 2277848911 KTBQJYZWVCURFY-MRXNPFEDSA-N 278.823 4.803 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)c1cnco1 2278246988 STLIOTUVSXZFJA-GJZGRUSLSA-N 266.429 4.854 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C=O)CCOC12CCCCC2 2280515480 OUGCVIQQUOAWFB-IXDOHACOSA-N 278.436 4.511 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cc(F)ccc2Cl)CC1 2283353751 KGGBCMYPNYNEGH-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(C)c(F)c2F)C1 2289813560 WBMFVRCVKSQVNA-GUYCJALGSA-N 277.358 4.926 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H](C)CC(C)C 2290605349 OUYXOFKWDFEOEK-CVEARBPZSA-N 286.456 4.889 30 10 CJEE C=C(CC)C[C@@H](OCCC(=O)O)c1ccc(Cl)c(C)c1 2291139243 AEMRKDSKUVLDRD-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCN)C1CCC(CC)CC1 2293132788 KSEYYHBLEAHZPZ-FCCDEINASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@H](C)C[C@@H]1C 2293407072 FJXUSMHSHNAUAX-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCc2ccsc21 2293669108 FAGDGFWPPWVCQO-QGZVFWFLSA-N 295.492 4.616 30 10 CJEE C=CCCCC1(OCCCN)CC(C)(C)CC(C)(C)C1 2293899686 XYAILNHAUOCIBO-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE Fc1ccccc1CCOCC1(CS)CCCCCC1 2295203196 QOWINLPCRMADRO-UHFFFAOYSA-N 296.451 4.655 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)[C@H](C)CC(C)C 2295216307 GXOQHLXHOBRPAK-CRAIPNDOSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C(F)(F)F)CCO1 2295536623 PZVDNZFHNSLVFE-ZIAGYGMSSA-N 295.389 4.784 30 10 CJEE Cc1ccc(C=CC(=O)c2cc(C)ccc2OC(C)C)cc1 2295968043 WRHWVJQDFCOKBT-UHFFFAOYSA-N 294.394 4.987 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](C)SC 2299409883 FASLVIBWMBOQNO-CABCVRRESA-N 259.503 4.857 30 10 CJEE N#CC1(c2ccc(Cl)c(F)c2)CCCCCC1 2300102214 PGXRXBLGDYBTKP-UHFFFAOYSA-N 251.732 4.595 30 10 CJEE C=C(C(=O)c1ccc(F)c(C)c1Cl)C(C)(C)C 2301080668 HBAGTNJBYAVYRI-UHFFFAOYSA-N 254.732 4.573 30 10 CJEE CCC[C@@H](CC)COc1cc(Br)cc(C#N)c1 2307924013 WADXGUKPXJLBSW-LLVKDONJSA-N 296.208 4.526 30 10 CJEE C=CCC[C@@H](NCC)c1cc(C2CC2)ccc1Cl 2317155052 GOUFRPQVIORYRC-MRXNPFEDSA-N 263.812 4.834 30 10 CJEE C=CCCCCCC[C@@H](O)c1ncc(C(F)F)s1 2320488135 AJPFIMJBFCMBIY-SNVBAGLBSA-N 275.364 4.641 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CCCC(F)(F)CC1 2328526776 ZFEYDGVYRASFEO-STQMWFEESA-N 280.424 4.563 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 2334297463 CAAQXWPBZCAQSG-XDNAFOTISA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](CCC[C@H]2C[C@H]2C)NCC)CC1 2341488399 JKPNSZHZWKVNFW-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H]1CC[C@H]1C(C)(C)C 2343145327 ZAOUZDPBGPTPQH-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CO[C@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343375858 CXKOCOPLBBCVEI-MPTYRVRUSA-N 263.425 4.548 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC(C2CC2)C1)NCC 2344344461 SFWHXGGLQAWMLV-XAWIXRBMSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](CC1(C(C)(F)F)CCC1)NCCC 2344357704 RWSQTTYRQDZELV-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1nc(C(C)(F)F)cs1 2344370451 BIQDBOXGKZOLAR-LLVKDONJSA-N 288.407 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1C2(CCC2)C12CCC2 2344472920 FOOLPKXDOJFSNZ-HZPDHXFCSA-N 262.437 4.700 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)C[C@H]1CC[C@H](C)CC1 2352077439 FPDKVUMQGQDLLP-ZOBUZTSGSA-N 285.541 4.727 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H]1CCCC(C)(C)CC1 2353843154 OGCIXFJHSVDDQS-HOTGVXAUSA-N 285.541 4.869 30 10 CJEE CSc1cccc(NCC[C@H]2CCC[C@@H]3C[C@H]23)c1C#N 2356041676 IYTJYABKPRNPFR-MGPQQGTHSA-N 286.444 4.518 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](C[C@@H]1C[C@H]1C)NCCC 2357006724 UAWFEAZFGWCDIK-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE C=CC[C@H]1CCCCN(C[C@@H]2C[C@H]2C2CCCCC2)C1 2357861769 UCXMPJGLSFDIKH-WDSOQIARSA-N 275.480 4.881 30 10 CJEE Oc1ccc2ccccc2c1/C=N\CCC1=CCCCC1 5949026 KKMKFOUCRSRWPA-ZHZULCJRSA-N 279.383 4.855 30 10 CJEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1c(F)cccc1Cl 37344715 SNAKHOPMWGIWCC-NWDGAFQWSA-N 295.785 4.872 30 10 CJEE CC(C)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37685698 NWSWHOSXPZUFIN-OAGGEKHMSA-N 259.418 4.604 30 10 CJEE Cc1ccccc1OCCC[C@H](C#N)c1cccc(F)c1 57688464 NJLAKSJSWXIIJN-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE C[C@@H]1CCC[C@H](CCNc2cccc(Cl)c2C#N)C1 70539797 JAMYWFRDJNJUCB-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE N#CCC(=O)c1cn(C2CCCC2)c2c(Cl)cccc12 84872403 ACHOZPQCBFFPOS-UHFFFAOYSA-N 286.762 4.506 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccccc2Cl)C1 87972887 OMIDOADSKQICKV-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)cs2)C1 93097286 CKQLAPGZJHRFRL-LERXQTSPSA-N 283.824 4.545 30 10 CJEE CCOc1ccc(C(=O)/C=C\Nc2cccc(C)c2C)cc1 103030096 SCXWMIGJRHESOW-SEYXRHQNSA-N 295.382 4.511 30 10 CJEE CCCCCCCn1cc(CC(C)=O)c2ccccc21 107038163 YAACCPJTXMZYBG-UHFFFAOYSA-N 271.404 4.743 30 10 CJEE CCCCCCCCCCN1CCc2c(N)cccc2C1 109687796 WIAWAMGWGIEJIS-UHFFFAOYSA-N 288.479 4.768 30 10 CJEE CCCCCCC[C@@](C)(NC)c1nc(CC)c(C)s1 109689388 RDFMJGVRVZOWCP-MRXNPFEDSA-N 282.497 4.809 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccc(OCC)c1 109896225 IUBXQDBBLCEFJB-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCCCCCCO[C@H](CC)[C@H](CCC)NCC 110083830 WSHOULSFNSYFMW-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCOCc1ccc(CNCCC)cc1 110170251 SPFAOYRASBFXFO-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)CCC(C)C)C1 110263824 IBZFBIDPSYNMOA-BRWVUGGUSA-N 278.484 4.709 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C)ccc2C#N)cc1 110381849 QOLPFTCXVSLDTC-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE N#Cc1ccc(NCCc2ccc(Cl)cc2)cc1Cl 110449729 DGUWNWCKLUBBRR-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CCCCCCCCCOC1(CN)CCCCCC1 115654378 MTRAVHXVTADNAR-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(OCCCC)cc1 122315403 HBQFDWKOSLYVMY-SFHVURJKSA-N 292.467 4.730 30 10 CJEE C=C(C)CNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 122537879 OPHQJPWRDZDGIC-UHFFFAOYSA-N 289.463 4.653 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCC[C@@H]1CC 123293199 DFNZMTRSLDBKSI-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCOC[C@H](NC)c1cc(C)cc(C)c1 133101263 GABKZUWEZICIJV-IBGZPJMESA-N 291.479 4.941 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCSC1 139460357 HIZOEOJAWFYQMM-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@H](NC)c1cnc2ccsc2c1 163574928 YDQXRIBJSSGYAY-AWEZNQCLSA-N 276.449 4.917 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCc2ccccc2C1 164632891 HFYGLDYARDXALY-OALUTQOASA-N 271.448 4.516 30 10 CJEE CCCCCCCCCCCOCCNCCCC 168773303 PQEPUKJAAMCGGY-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 169072428 AOKNMGYRJLBVNQ-GUDVDZBRSA-N 277.496 4.724 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc([C@@H](O)C2(C#N)CCC(C)(C)CC2)o1 218394208 UOAHBHYCSCBYAK-DVOMOZLQSA-N 287.403 4.547 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCCS 227281406 FVWXEDOYRATLLS-KFWWJZLASA-N 258.471 4.564 30 10 CJEE C=CCC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 229382749 MGJKRKZIBPLKAF-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1Cc2ccccc21 229731575 UIOOMQNCXILEMD-IRXDYDNUSA-N 259.437 4.794 30 10 CJEE CC(C)C[C@@H]1CCC[C@](C#N)(NC2CCCCCC2)C1 230779932 HPFCUBWGOGXCCW-WMZOPIPTSA-N 276.468 4.797 30 10 CJEE CC[C@H](CS)COc1ccc([C@H](C)CC)cc1 232360760 ZXUCECQEFMZWHY-OLZOCXBDSA-N 252.423 4.535 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(O)cc1F 232934451 AHLGYJCYVKAVKW-ZDUSSCGKSA-N 267.388 4.542 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc(OC(F)F)c1 236131445 JIEHJMBVJUYIGX-UHFFFAOYSA-N 280.314 4.751 30 10 CJEE CC(C)(C#N)Cc1cc2c(C(F)(F)F)cccc2o1 260221968 JOLPUBIITYTTFG-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CCCCCCCCC[C@@H](O)CC#CC(C)(C)C 305894808 BXMGXHNEXPGMCW-MRXNPFEDSA-N 252.442 4.928 30 10 CJEE CCCCCCCCCC[C@H](CCCN)COC 310653023 ZFHGZGOHAYRFSN-MRXNPFEDSA-N 257.462 4.519 30 10 CJEE C[C@@H]1CC[C@H](n2ccc3ccc(C#N)cc32)C[C@H]1C 311268070 SOZPCLJZTJVXQD-IOASZLSFSA-N 252.361 4.510 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(F)c(Cl)c1 311434988 RMRAOVJQOUEWLM-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE CCCCCCCCCCN[C@H](CC)[C@@H]1CCOC1 311701588 HXGNZBCTMXDJJG-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE N#CC1(Cc2ccccc2C(F)(F)F)CCCCC1 311708378 RPLKIIAXFHFOGA-UHFFFAOYSA-N 267.294 4.722 30 10 CJEE CCCCCCC[C@H](CCC1(OC)CCC1)NCC 311851421 JDBMSETXPBSMPA-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@H](CC)c1ccccc1 312249889 VLYYLBAXNJUSKE-MSOLQXFVSA-N 271.448 4.598 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC23CCCCC3)c(F)c1 312995652 DQLWJTOYNRHTNU-MRXNPFEDSA-N 272.367 4.612 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2csc(Cl)c2)C1 316855940 OMSSCDCDDQGIBH-BXUZGUMPSA-N 270.825 4.730 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCSc1ccccc1 317433772 PVUZFRKXPAQOKI-HOCLYGCPSA-N 262.418 4.564 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)[C@@H]1C[C@H]1C 321948617 WKFIOZGOPGYPAP-MGPQQGTHSA-N 261.434 4.811 30 10 CJEE CCCCCCC[C@H]1[C@H](C2CCC2)C(=O)N1[Si](C)(C)C 385381300 ZEIBNSPLEZRFMP-HOTGVXAUSA-N 295.543 4.809 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC2CCC2)c1 386271846 MICXCQLGUZBJHC-SFHVURJKSA-N 275.436 4.978 30 10 CJEE C[C@@]1(c2ccc(Cl)cc2Cl)CCC[C@@H](CC#N)O1 386465314 TXEXPDMKOTVVMY-FZMZJTMJSA-N 284.186 4.691 30 10 CJEE CC(C)(C)c1ccc(SC[C@H](C#N)C2CC2)cc1 397238677 KHTFPAANNKZNJI-ZDUSSCGKSA-N 259.418 4.626 30 10 CJEE Cc1cccc(CSC[C@@H](C#N)C2CCCC2)c1 397247928 HUGBQUASJQEVRJ-MRXNPFEDSA-N 259.418 4.558 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(F)c1C 398830491 LJNPBAFBESTCOQ-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE CCCCCCCCCCOc1ccc(CO)c(F)c1 404111202 JLLVWBJENQBTQP-UHFFFAOYSA-N 282.399 4.838 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 613901730 SGMIUEZXFGKUBD-NXHRZFHOSA-N 297.442 4.913 30 10 CJEE OCCCCCC#Cc1c(Cl)cc(Cl)cc1Cl 686288966 IWWJLXXURFPYGP-UHFFFAOYSA-N 291.605 4.551 30 10 CJEE C#CCCCCCSc1ccc(Br)cc1 686685220 DFAKJOBZAKGNLR-UHFFFAOYSA-N 283.234 4.735 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@]2(O)CCC(C)(C)C2)C1 688336699 FXIWUQNCFSZQSQ-SFHVURJKSA-N 277.452 4.674 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(=O)O)c(Cl)c1 692216287 YDBRWWFQVMQPPU-XHDPSFHLSA-N 293.794 4.585 30 10 CJEE N#CC1([C@@H](O)c2cc3cscc3s2)CCCCCC1 693995376 VXJAMQHLFOWMKY-AWEZNQCLSA-N 291.441 4.860 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)CCN2 695732843 TXYUGYBCPLTLJL-GOSISDBHSA-N 275.436 4.829 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1C(C)(C)CCC1(C)C 699620191 GEQFATAGGMZAGW-CABCVRRESA-N 263.469 4.926 30 10 CJEE CCC(F)(F)C(C)(C)COc1cc(Cl)cc(C#N)c1 700738712 RZPNJJJFOWXBDI-UHFFFAOYSA-N 287.737 4.662 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)c(C)c1 703954613 IMNOYLFHZWWFGH-INIZCTEOSA-N 259.437 4.946 30 10 CJEE N#CC1(Cc2ccc(C(F)(F)F)nc2)CCCCCC1 704191065 NXCZLZNVIVGQTL-UHFFFAOYSA-N 282.309 4.507 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 709130729 WEFVSMBLVFYMKU-PBHICJAKSA-N 271.404 4.668 30 10 CJEE C=CC[C@H](C=C)OC[C@H](NCCC)c1cccc(Cl)c1 709507226 RYKPGBMKTHKLND-IRXDYDNUSA-N 293.838 4.528 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@H]1CCCc2ccccc21 710476444 POUYGALJBPPVSP-DLBZAZTESA-N 277.839 4.617 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCCc2ccccc21)C(C)(C)C 711206730 HGRYXIGUBXEKSP-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE C=CC[C@@H](C)Nc1ccc(Br)c2ccccc12 715038635 JUDDIQHWKRCDSS-LLVKDONJSA-N 290.204 4.979 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)cc1Br 715727355 YILOOIUOOOYJQS-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=CCCC(C)(C)NCC1(c2ccccc2)CCCC1 717858718 HEQSKEVDQNBXME-UHFFFAOYSA-N 271.448 4.833 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1csc(C(F)(F)F)c1 718672234 NPPXPGSAIHDIRQ-SECBINFHSA-N 283.746 4.560 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(Cl)s2)CC1 724549667 IDXNTWJXMMFCJV-LLVKDONJSA-N 269.841 4.799 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H](C)Oc2cccc(Cl)c2)CC1 724567697 ZHXCNQQKPKZEOW-DYVFJYSZSA-N 294.822 4.605 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1 724618876 ZHQGWFVFGNVJDB-QGPMSJSTSA-N 263.469 4.913 30 10 CJEE C(#Cc1cccc(-c2ccc3c(c2)NCC3)c1)c1ccccc1 725384924 OEHJCGSLURFBSC-UHFFFAOYSA-N 295.385 4.721 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@H](C)CCCCCCC 1125265759 CAPZJNHYMPFGCN-OAHLLOKOSA-N 267.457 4.702 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccccc1OC(C)C 1168687052 XKXDTWNMOTYDJL-QGZVFWFLSA-N 287.447 4.708 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 1176771174 GVBWFGLKJMVAAA-OAHLLOKOSA-N 284.230 4.924 30 10 CJEE C=CCCCN[C@@H]1CCC[C@H]1c1ccccc1Cl 1181409907 HAIRVNHMNDEMBS-GOEBONIOSA-N 263.812 4.532 30 10 CJEE C=CCCCN(CC)C(=O)NCC1(C)CCC(C)(C)CC1 1251937111 TVNRKYUIARMADO-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCCCCCN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C 1265359343 FOENMTIHZZTQKX-YJBOKZPZSA-N 279.468 4.654 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1 1266420386 BZIBOAIAZCDPLE-CRAIPNDOSA-N 285.431 4.636 30 10 CJEE C=C(CNC(=O)[C@H](CC)CCCCCC)c1ccccc1 1274941304 GGAVNVMPNXPEEV-QGZVFWFLSA-N 287.447 4.813 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Oc2ccccc2F)cc1 1288881047 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CC1(C)C[C@]1(C#N)Cc1cc(Cl)cc(Br)c1 1979508736 YKCWSSFEXKMIBU-ZDUSSCGKSA-N 298.611 4.585 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(Br)c1C 1996471231 RSKZBJIEPPGXGV-IAQYHMDHSA-N 296.252 4.620 30 10 CJEE C=CCCCC[C@@H](NCC)c1cccc(Cl)c1 2003671596 PGVXTUYYQKMWIM-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CCCCCCCNc1cc(C)c(C)nc1Br 2010774951 CYSDMCCZSMNRBO-UHFFFAOYSA-N 299.256 4.843 30 10 CJEE CCCCCCCCCN(C)[C@H](C)C(F)(F)F 2019210708 SAGQUDYJKHDRJU-GFCCVEGCSA-N 253.352 4.620 30 10 CJEE CCCCCCCCC[C@]1(F)CCNC[C@@H]1CC 2032538540 UETBXXZZAISBMF-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE C[C@@H]1CC[C@H](C[C@]2(C=O)CCCC(C)(C)CC2)C1 2040181646 KHYQMBJJGFFNCY-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCS[C@H](C)C1 2041714967 DPOYOXFYINMABK-OAGGEKHMSA-N 269.498 4.633 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCS[C@H](C)C1 2041718473 ZIBDESCDWPJYIV-OAGGEKHMSA-N 271.514 4.857 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@@H]2CSC[C@@H]2C1 2042868016 GCBLCPAOXMZQAI-ZSHCYNCHSA-N 270.482 4.631 30 10 CJEE CC(C)CCOCC[C@]1(C#N)CCCC(C)(C)C1 2049515112 OBDCGXPHKGSGHL-MRXNPFEDSA-N 251.414 4.549 30 10 CJEE C#CCCN(CCCCCCCCC)CC(C)C 2056007062 NDTXTZPRJOLCCK-UHFFFAOYSA-N 251.458 4.718 30 10 CJEE CCCCCCCCCCC1(F)CC(CCN)C1 2056602482 GJSUNQMKLMYILL-UHFFFAOYSA-N 257.437 4.984 30 10 CJEE CC(C)C1CC(C[C@@]2(C=O)CCCC(C)(C)C2)C1 2056725124 HZQVXTYMGSBDOV-DQPZFDDXSA-N 250.426 4.844 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H](F)C2CCCCC2)CCS1 2058017547 RYRZBDLZYRLXDF-YUELXQCFSA-N 269.429 4.720 30 10 CJEE CC1(C)CCC[C@@](C#N)(C2CC3(C2)CC3(F)F)C1 2058522010 PSXBDNKZLKXOKI-HRDQMINSSA-N 253.336 4.532 30 10 CJEE C=CCCCC[C@@H]1C[C@H](CCC)CC[C@H]1C(=O)O 2059150175 CDZIOLPINUTZKZ-RBSFLKMASA-N 252.398 4.650 30 10 CJEE C=C1CC([C@@H](NCCC)c2ccc(C3CC3)s2)C1 2061646657 IEIGLCLJWBUGGY-MRXNPFEDSA-N 261.434 4.632 30 10 CJEE C=CC1CC(n2c(S)nc3cc(Cl)c(Cl)cc32)C1 2061839058 WXBLOQVOCNXJCA-UHFFFAOYSA-N 299.226 4.769 30 10 CJEE CCCCCCC[C@@H](O)[C@@]1(C)CCCC(F)(F)C1 2068387496 JNQSYQZGPWAACS-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE 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268.784 4.519 30 10 CJEE C=C1CC(C(=O)c2ccc(-c3ccccc3)s2)C1 2085276430 WJGZFAPLGOHBJY-UHFFFAOYSA-N 254.354 4.564 30 10 CJEE C=CCCCCCC[C@@H](NC)c1ccncc1Cl 2085854184 LXTKJQOXSIJZHB-OAHLLOKOSA-N 266.816 4.522 30 10 CJEE C=CCCCCCC[C@@H](CC1CCSCC1)NC 2085857396 YLMMKKOBNWAJNG-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCCCN1CCS[C@H](C)CC1 2086244075 PKIPOGMPOLZFBN-MRXNPFEDSA-N 269.498 4.731 30 10 CJEE C[C@H](CN(CC#N)C1CCCCCC1)CC(C)(C)C 2087212643 ULTPQOMSEGWMRA-HNNXBMFYSA-N 264.457 4.607 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@@H](N)CC1 2088212984 FXWIMQURRGVCNG-IYBDPMFKSA-N 267.457 4.604 30 10 CJEE COc1cc([C@@H](C#N)[C@H](C)CCC(C)C)ccc1C 2090309191 XTGYHBYYYOOFMY-CJNGLKHVSA-N 259.393 4.683 30 10 CJEE C=C1CCC(CNC2(C(F)(F)F)CCCCC2)CC1 2090360682 DILGDLBFANVXOA-UHFFFAOYSA-N 275.358 4.588 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(O)CCCCC 2092205198 WFIBLHRINUKQTN-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCC(C)(C)C3)C[C@@H](C1)C2 2094423569 BBNYGHRMBYQEED-VPSFDDGASA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@H](C)S2)CC1 2095337857 QSWHJNHVLDJVEN-XIRDDKMYSA-N 281.509 4.775 30 10 CJEE SCCCCCCCCCOC[C@@H]1CCCCCO1 2096326333 ZUNWIPMSKVXQRK-INIZCTEOSA-N 288.497 4.623 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)c1cc(C)cs1 2099863173 KDMLFZRTGSTNKE-CQSZACIVSA-N 282.449 4.741 30 10 CJEE CCCCCCCCCOCC1(CN)CC(C)(C)C1 2102095017 RGSOTYXVTJLEFW-UHFFFAOYSA-N 269.473 4.519 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cc2c(s1)CCCCC2 2102111546 NLEKWZMQTYIXDG-SUMWQHHRSA-N 277.477 4.880 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@H]2Cc3ccccc3S2)CCS1 2103478413 KYPCRDJIHMLAGE-XNRPHZJLSA-N 289.469 4.519 30 10 CJEE CCCCCCCCN[C@H]1CCCO[C@H]1C(C)(C)C 2103984879 VWRZFCBTGWJFLO-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCC1CCC(C#N)(CC[C@H]2CC[C@H](C)O2)CC1 2104856298 FYQHVRGNCGBBJI-ORBLRFAASA-N 263.425 4.834 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@]1(C)C(F)(F)F 2105508980 IVRZLFCOSVEHFO-IHRRRGAJSA-N 279.390 4.914 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1OC 2105774088 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FKMUCJHSOJKLAO-MLHJIOFPSA-N 274.448 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1csc2c1CCCC2 2284181998 YIFBQIIOGZPHHG-MRXNPFEDSA-N 288.456 4.656 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@H]2CO[C@H]1C2 2286250783 WSQSHMOYXADSAL-KURKYZTESA-N 281.484 4.674 30 10 CJEE CCCC#CCOc1cc(C)c(Cl)cc1[C@H](C)NCC 2286476334 ALPQJQRMMMRUKD-AWEZNQCLSA-N 293.838 4.501 30 10 CJEE C[C@@H]1CC[C@](C=O)(CCCCCCCCCCCO)C1 2286832749 XROZYGYVBRYQMA-QZTJIDSGSA-N 282.468 4.885 30 10 CJEE C=C[C@H](C)CCN(C)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2288886522 WTOVKLBRMOIHHH-JONQDZQNSA-N 285.422 4.592 30 10 CJEE CCCCCCCCC[C@H](NN)[C@]12CCCC[C@H]1CC2 2289013441 NBTLKSFVZJIFBY-BZSNNMDCSA-N 280.500 4.929 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@]23CCCC[C@@H]2CC3)C1=O 2289134520 QGVAYFAOPQGFGY-FHLIZLRMSA-N 273.420 4.636 30 10 CJEE CN[C@@H](CC#CC1CCCC1)[C@@H]1CCCCC12CCC2 2289862912 DLYSTBCYBUQXGU-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1CC[C@@H](C)C1 2290623496 WACCVKCUSMMECM-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C(C(C)C)C(C)C 2290918387 PKEJGQBVPZNHET-HNNXBMFYSA-N 286.456 4.745 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCC2(CCCC2)C1 2292900031 ULIVXUOBXBNWFG-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@H](CC1CC(F)(F)C1)OCCCN 2292988641 HSEFUMVDHMOXDE-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CCC(C)(C)C1 2293315420 RQDDYHZLJUCKKD-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC1(OCCN)C[C@H](C)C[C@@H](C)C1 2293599804 KKYINDNSMAGRGI-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCCN)C(F)(F)F 2293897101 ZRSBOAPEGZCKPN-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C1CCC1)OCCN 2294066244 PUJKNWHKDYREOB-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CC(C)C1CCC(C=O)(CCc2ccc(F)cc2)CC1 2294752342 HGCBBHLTTQLTKK-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CC(C)C)C(=O)O 2295531339 KGBDHCMEHWAGOG-JKSUJKDBSA-N 285.472 4.605 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)CC1CCC1 2295537076 VPMDPUIAIURSJT-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C=CC[C@H](C)S[C@H](c1sccc1C)[C@H](N)CC 2298817759 VNZDEFXOXXNOKZ-SCRDCRAPSA-N 269.479 4.533 30 10 CJEE SCCCCCCOCC1CCCCCCC1 2303285347 NWBWZZGXIPZEIY-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(F)cc(Cl)c1 2304118617 BNDIYRNKJAGEAT-KBPBESRZSA-N 256.748 4.505 30 10 CJEE CC(C)C[C@@H](CS)COc1ccc(Cl)c(Cl)c1 2308060885 XSEFVQTXEJVNHA-SNVBAGLBSA-N 293.259 4.964 30 10 CJEE CC[C@](C)(COCC1(CS)CCCCC1)C(F)F 2314876256 ZRJCXPNSGMNUHO-CYBMUJFWSA-N 280.424 4.565 30 10 CJEE CCCCCCC[C@@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2 2316697105 KCAUBAXZLDXJDM-LUKYLMHMSA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1CCC(C(C)C)CC1 2316713083 URAJWEAUVAOFSZ-BDVYOWHSSA-N 250.426 4.578 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(C)sc1C 2316750473 UFADCBSIEPSZBX-MRXNPFEDSA-N 263.450 4.784 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CCC[C@H]2CN1 2319331443 JQEOQTOASPNSPN-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)NC 2321106871 BFWQVLLGBHWISQ-HWMZRRJGSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)c(C)cc1F 2321111924 BJYCSAXPWWTOIB-ZUZCIYMTSA-N 269.791 4.650 30 10 CJEE C=CC[C@H](C)[C@@H](O)CC1CC(C)(C)CC(C)(C)C1 2321227172 BQMRDZGHNFEYHL-ZFWWWQNUSA-N 252.442 4.802 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1(C)CC2(CCC2)C1 2321234254 RTXCRCAOOABWFE-GOEBONIOSA-N 250.426 4.700 30 10 CJEE CC#CCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2325220626 ISSGWXLRSMRWSN-AWEZNQCLSA-N 288.193 4.716 30 10 CJEE C=C([C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C(C)(C)C 2329821435 ILWHAGIFWYOVAH-MWDXBVQZSA-N 263.469 4.783 30 10 CJEE Cc1ccc(C(=NOCc2ccccc2C)C2CC2)cc1C 2330296798 WSNQUOJFTRGONU-UHFFFAOYSA-N 293.410 4.943 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CCC[C@@H]3C[C@@H]32)NC)CC1 2330814781 XFCCRJNEOIEYEE-BRSBDYLESA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)OC(=O)Cc1c(Cl)cccc1Cl 2335107887 VJJFLOQLYCKCKS-UHFFFAOYSA-N 299.197 4.600 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)NCCC)cc1F 2335239092 ROLIRPOHOUAYFZ-CHWSQXEVSA-N 281.440 4.943 30 10 CJEE C=CC1(C[C@H](N)c2cc(F)ccc2C(F)F)CCC1 2338267203 QFQCALCUDRTTJN-ZDUSSCGKSA-N 269.310 4.510 30 10 CJEE C=CCC(CC=C)N1CCC[C@@H]1C1CCCCCC1 2338728630 XCDXUMUNRBXDHC-GOSISDBHSA-N 261.453 4.942 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1c(C)cccc1F 2338734793 FIAQLFNRIIHQKC-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C)c(F)c1 2338741617 OXFAWQUDWXEMOX-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1cc(C)c(C)o1 2338747022 MIFLXTSFSAVZGP-QGZVFWFLSA-N 261.409 4.706 30 10 CJEE C=CCC(CC=C)[C@H](CC1CC(C)(C)C1)NCCC 2338748276 AMXARZSKVLUXCE-KRWDZBQOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(OC)c(Cl)s1 2340269268 BOELIWYYZMRIKG-AWEZNQCLSA-N 299.867 4.829 30 10 CJEE CO[C@H]1C[C@@](C#N)(CCCC2=CCCCC2)C1(C)C 2341012424 DOFWDIIZDVFNBX-DOTOQJQBSA-N 261.409 4.612 30 10 CJEE CC[C@@H]1C[C@H]1CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 2343407911 MHXBJYLFJNRJOH-NRUUGDAUSA-N 296.197 4.606 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cc(F)ccc1C 2344336965 NEADHTOZENLCBM-MRXNPFEDSA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2344344279 RSRMOPNSHYKPCN-XSLAGTTESA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358458616 CINDPRDSRYDKMM-WNRNVDISSA-N 281.484 4.660 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1OC[C@@H]2CCCC[C@@H]21 2358463132 HPHKYXDMOOPCPY-WNRNVDISSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359060318 SSHXDWZVVKACJA-WNRNVDISSA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)C12CCC(CC1)C2 2360206203 UTVAPKASEYPRIJ-NXYGQSRBSA-N 293.520 4.799 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@H](C)CC1CC1 2360322595 FSILZYCXLPBJKH-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)c1ccccc1 2360336303 JBZBQTQPGFJBEV-SFHVURJKSA-N 289.488 4.981 30 10 CJEE O=C1/C(=C\c2ccc(Cl)cc2Cl)Cc2ccccc21 103150 KYTRQFXGXXRFBX-WQLSENKSSA-N 289.161 4.816 30 10 CJEE CC1(C)[C@H]2C[C@H](Sc3ccccc3)[C@@](C)(S)C[C@H]21 1634964 GEINJCZBPBJHJU-FQLMCAECSA-N 278.486 4.902 30 10 CJEE biogenic CC(=O)/C=C\c1oc2ccccc2c1-c1ccc(C)o1 33285962 JIIZDBWDGXMFMZ-CLFYSBASSA-N 266.296 4.603 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C(C)(C)C#N)cc2)cc1 36922284 ZUVVEQODIIIQFA-OAHLLOKOSA-N 278.399 4.969 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCc3ccccc32)C1 37146401 BLRXGTLVAPXTOF-SZVBFZGTSA-N 282.431 4.548 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCCCCC2)C1 37146720 CIZMTYFSQVYGHI-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE CC(C)(C)c1cccc(OCC2(C#N)CCCCC2)c1 57566855 MGTOXXRYSKTSNU-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE Cc1cc(C)cc(OCCC[C@@H](C#N)c2ccccc2)c1 57684474 DEIWMFRXDLOPEA-SFHVURJKSA-N 279.383 4.770 30 10 CJEE Cc1cc(C)c(C[C@@H](C#N)c2cccc(F)c2)c(C)c1 57760711 KXAFOILVUJTYDP-INIZCTEOSA-N 267.347 4.601 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)CCCN(CC)CC 59089835 CRLXZJQOGNDXDQ-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CCCCCCCCOc1ccc(CNCCC)cc1 59128499 UMEOVSRRGAIERH-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE C=C(Cl)CNc1cc(C(F)(F)F)ccc1Cl 71125962 YIWBKGGAEXFWJI-UHFFFAOYSA-N 270.081 4.523 30 10 CJEE SCc1csc(-c2c(Cl)cccc2Cl)n1 82686493 XZDLUKKSEKTRIY-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE CCC1(CC)CC(C#N)(SC2CCCCC2)C1 87147792 JOAMZNGHJYUXIV-UHFFFAOYSA-N 251.439 4.915 30 10 CJEE COc1ccc(OCCCC(C)(C)C#N)c(C(C)(C)C)c1 87608914 DJXRJZGASZBVRU-UHFFFAOYSA-N 289.419 4.701 30 10 CJEE CCCC(CS)(CCC)CN(CC(C)C)C(C)C 94581204 PRDNSXVBMUBUSR-UHFFFAOYSA-N 273.530 4.869 30 10 CJEE CC(C)[C@H](CS)CSc1nc2ccccc2s1 94588983 INZBRQYZDROUOX-SNVBAGLBSA-N 283.487 4.590 30 10 CJEE CC(C)CC1(C(=O)[C@@H](C#N)c2ccccc2F)CCCC1 94902761 OANPYZNBSOUFRL-HNNXBMFYSA-N 287.378 4.608 30 10 CJEE C=CCn1c(C2CCCCC2)nc([C@@H](C)CCC)c1N 106840284 GHYRJBYXWOXSCF-ZDUSSCGKSA-N 275.440 4.603 30 10 CJEE C#CC[C@@H](CCC)c1ccc(C(F)(F)F)cc1OC 107476523 NYYLWGJVSFWOEK-NSHDSACASA-N 270.294 4.621 30 10 CJEE CC[C@H](C[C@@H]1O[C@H]1C)c1cc(Cl)cc(Cl)c1 107500698 YHYBGKLHXKRIAF-RWEMILLDSA-N 259.176 4.664 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1Cl)NC 109732405 JNCNDSGNNGYSMT-OAHLLOKOSA-N 267.844 4.831 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(OC)cc1 112884876 PSICBXJYMRCCMQ-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCCCCCCCOc1ccc([N+](=O)[O-])cc1C(C)=O 113091961 HGMINGGYBSUOET-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE CCCCCCCN1C[C@@](C)(C2CC2)NCC1(CC)CC 115248367 CCYWBFQAPHYTKY-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1CC2(CCCCC2)NCC[C@@H]1C 115266626 KZZRKHFJMBSKTR-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCN(C)CC[C@@H]1CCCCN1 117174014 RJBSTXHBAHYKJU-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H](C)N(C2CC2)C1 123782572 NTWGKZREPUIHLD-FUHWJXTLSA-N 281.484 4.505 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)CC2CCCCC2)CC1 127463483 WWOITTCQWSXKDV-ADKAHSJRSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCNCc1ccc(OC)cc1O 129247296 VFWKZZQUCTVLOA-UHFFFAOYSA-N 293.451 4.631 30 10 CJEE CCCCCCCCCOc1cccc(Cl)c1CN 129395228 PWYDWQGGHAVSAV-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2c1OCCC2 131111121 KIPIVOIQKWYQQT-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE CCCCCCCCCC(=O)c1cc(C)nn1CC 135411885 FINSUNWGLNVCJW-UHFFFAOYSA-N 264.413 4.535 30 10 CJEE CCSc1cccc(N[C@H]2C[C@@H]2c2ccccc2)c1C#N 136652519 IBMRIMYNLWLNAT-PBHICJAKSA-N 294.423 4.638 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc(Cl)c1F 164602925 XDJBFYCWWSDFBZ-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CCCCCCCCOCCCNCc1ccccc1 164638106 MXHLNVDEUBLQGO-UHFFFAOYSA-N 277.452 4.543 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2sccc2s1 167722833 GFFAGXYPCGRFNT-LLVKDONJSA-N 265.447 4.970 30 10 CJEE CC#CCC[C@H](NCC)C1(c2ccccc2)CCCCC1 168133686 IZJWVIPASBZMJU-IBGZPJMESA-N 283.459 4.670 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1SC 168212820 SCBRLIJFFBQURL-AWEZNQCLSA-N 252.423 4.802 30 10 CJEE CCCCCCCOc1ccc(NC(=O)C(C)C)cc1 197644299 BREOZZPIRSCNHL-UHFFFAOYSA-N 277.408 4.630 30 10 CJEE CCCCCCCCCC/C=C\CCNCCOC 211864364 WPVCVMZFFNSAFH-SEYXRHQNSA-N 269.473 4.700 30 10 CJEE CC(C)[C@H](Nc1cc(F)cc(C#N)c1)c1cccs1 227611829 HSELMLVDEWKULV-HNNXBMFYSA-N 274.364 4.568 30 10 CJEE CC(C)c1ccc(SC[C@@H](C#N)C(F)(F)F)cc1 232732127 WKPJHHBQSZJLSH-LLVKDONJSA-N 273.323 4.604 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ncco2)C1 232848635 OFQMDHPKLVCZOW-UPJWGTAASA-N 278.421 4.511 30 10 CJEE CCCCCCCCCC(=O)[C@]1(CCC)CCCN1 232939555 PDTYFHOCDDURQB-KRWDZBQOSA-N 267.457 4.619 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1CCCc2ccccc21 236548599 KDESNVZWDPRNRC-QZTJIDSGSA-N 258.405 4.604 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]3CCCC[C@H]32)C1 252372694 LAMIDBSEJLYUNV-FVVUREQNSA-N 288.479 4.750 30 10 CJEE C=CCCCCC[C@H](N)[C@H]1CCCC[C@H]1C(F)(F)F 300257944 QYYYRTCGNUHCMQ-MJBXVCDLSA-N 277.374 4.819 30 10 CJEE C=CCCCCCCNCc1ccc(F)cc1Cl 310923510 KFJOLXQMSKXGDD-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H]1CCCC(F)(F)C1 311137390 BEUXHPYDGKWDMY-HUUCEWRRSA-N 273.411 4.640 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1CCCCC12CCCC2 312680133 CWPNLTIKZJFUOW-INIZCTEOSA-N 268.404 4.782 30 10 CJEE CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 313428059 NDAJWCUXVJKQIN-KDOFPFPSSA-N 270.420 4.568 30 10 CJEE C[C@@H]1CCC[C@](C=O)([C@H]2CCOC3(CCCCC3)C2)C1 316795845 OGYULWCZNBYIEE-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE C[C@@H](CS)CSc1cc(Cl)cc(Cl)c1 379482000 ASDDXSRHNWPZMR-ZETCQYMHSA-N 267.246 4.651 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccccc1C(F)(F)F 380074884 YXJCPZRTTLVMAG-CQSZACIVSA-N 287.369 4.936 30 10 CJEE CC1CCC(C#N)([C@]2(O)CCCCC23CCCC3)CC1 380536167 MGEQQCORWHYDOB-VJFUWPCTSA-N 275.436 4.572 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC[C@@H]2C)c(Cl)c1 384857175 MDPWMFGCCRWFQE-XJKSGUPXSA-N 261.796 4.911 30 10 CJEE C=CC(C)(C)CN[C@@H]1c2ccccc2CCC1(C)C 384865218 PLMNBDBJGQSYQN-MRXNPFEDSA-N 257.421 4.502 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)c(C)c1 387649494 ZQLRYYDNOXVCSL-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE Cc1cc(Cl)c(NC[C@@H](C#N)C(C)(C)C)cc1Cl 397507997 IGRRPVSALZPXBT-SNVBAGLBSA-N 285.218 4.900 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1nc2ccccc2s1 398181035 OFLQJOAMQUUYKN-OLZOCXBDSA-N 274.433 4.692 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)C1CCC1)NN 398605317 COTDSRONDZRKDL-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CCC[C@@H](C)C1 402443845 OUACEBQYHLJIQG-FRRDWIJNSA-N 264.331 4.751 30 10 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CC(C)c1ccccc1NC(=O)c1cccc([C@H](C)C#N)c1 1148608033 XJFCGSNADYWZRD-CQSZACIVSA-N 292.382 4.689 30 10 CJEE C#CCCCCCCN1CCCC(C)(C)[C@H]1CC=C 1169843317 CDJHAIQLHWHZMZ-QGZVFWFLSA-N 261.453 4.637 30 10 CJEE C#CCN(CCC(C)(C)CC)[C@@H]1CCCc2ccccc21 1176452980 OIPGMCDLEAWAKM-LJQANCHMSA-N 283.459 4.826 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(OC(C)(C)C)c(C#N)c1 1181919390 CNPCWJUKSSBDHZ-OAHLLOKOSA-N 286.419 4.892 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H]1CCCC[C@H]1C 1190707588 KLRVNTFEHFDHIL-IEBWSBKVSA-N 271.448 4.543 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCCCCCC 1216892181 XFJVMJINNKJCTI-UHFFFAOYSA-N 288.435 4.897 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CC(F)(F)C1 1258230648 ZXBKMMAIBDTNOX-CYBMUJFWSA-N 261.400 4.903 30 10 CJEE C=C[C@H](CC(=O)N[C@H](CCC)CCCC)c1ccccc1 1265717301 AJSDVIKVCMKQSG-SJLPKXTDSA-N 287.447 4.821 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 1270812837 LZZDVNMDIRIVDE-FPAYPSAMSA-N 299.458 4.535 30 10 CJEE C=CCC[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1 1307626971 PFIFAFUEFBIONC-RBUKOAKNSA-N 299.458 4.775 30 10 CJEE C=CCCCCCN1C[C@@H](C)Cc2cccc(F)c21 1308019981 QATKZIJXZVHRPD-AWEZNQCLSA-N 261.384 4.571 30 10 CJEE C=CCC1(NC[C@H]2C[C@@H]2c2ccccc2)CCCCC1 1308766792 VTWYPYKUJNWLFF-QZTJIDSGSA-N 269.432 4.659 30 10 CJEE C=CCC(C)(C)C(=O)Oc1ccc(Cl)c(Cl)c1 1350597167 WNSWEPBRMSTIIT-UHFFFAOYSA-N 273.159 4.501 30 10 CJEE C=CC1(CC(=O)OCCc2ccc(C)cc2)CCCCC1 1360652366 GCGIFQNTQVJMSW-UHFFFAOYSA-N 286.415 4.607 30 10 CJEE C=CCC[C@H](NC(=O)C=C(CC)CC)c1ccccc1 1435621406 NNDMQBCRDBWWHE-KRWDZBQOSA-N 271.404 4.557 30 10 CJEE C=C(C)CCC(=O)O[C@@H](CC(C)C)c1ccccc1OC 1460603233 WNONMLBFIVPNNM-KRWDZBQOSA-N 290.403 4.682 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@H](C)CC1)c1ccc(Cl)cc1F 1462229313 ZZVDLXYDPMEQKF-QEORTHHSSA-N 293.813 4.712 30 10 CJEE C#CCOc1ccc(CN[C@@H](C)CCC2CCCCC2)cc1 1474001702 AKJVUAHGVQLIDV-KRWDZBQOSA-N 299.458 4.537 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 1474697590 ZLJXCRAJRMZWSW-RBUKOAKNSA-N 285.475 4.980 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 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C=CCCCOc1ccc(Cl)c(C(F)(F)F)c1 1559336722 DKOUOEDUFLVWOZ-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CCC1(NCCCc2ccc(C)cc2)CCCCC1 1560070972 UWAWRUWNAOSUKB-UHFFFAOYSA-N 271.448 4.796 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)CCc1cccc(C(F)(F)F)c1 1560791173 CHXHCOSFMOFIFY-BBRMVZONSA-N 299.380 4.971 30 10 CJEE C=CCC1(C(=O)N2CCC[C@H](C3CCC3)CC2)CCCC1 1583123647 SHHFOHVZASEQCO-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE COc1ccc(C#Cc2ccc(Cl)cc2Cl)c(F)c1 1614827292 TZUYXFXGJMMCSM-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE CCN(CC)/C(=N/c1ccccc1Cl)c1ccccc1 1614909817 XEAHRCJPNCQZFX-HTXNQAPBSA-N 286.806 4.760 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc([C@H](C)CC)cc1 1618326110 XAZWAHBZPIONPY-QAPCUYQASA-N 285.431 4.771 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCC[C@H](CC)C1 1621139940 ZYAZJPNGYXAPJP-HKUYNNGSSA-N 271.448 4.891 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCc1ccc(F)cc1 1621434235 ORIJQPKIUMXUEX-SUMDDJOVSA-N 289.438 4.871 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1cccc2c1CCCC2 1622814931 ZHNIUNQOHINKNX-INIZCTEOSA-N 298.430 4.528 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CJEE C=C(c1ccccc1)[C@H](N)Cc1ccc(Cl)cc1Cl 1888705496 LUEQTDWUXHVXMD-MRXNPFEDSA-N 292.209 4.577 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1C[C@H]1CC)NCCC 1888718519 IODCIQYXOCTTPY-NJAFHUGGSA-N 257.421 4.504 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1C=O 1899575854 TYMBQQQQNKLSJA-SNVBAGLBSA-N 254.782 4.518 30 10 CJEE CCCC1CCC(C#N)(c2ccnc(C3CC3)c2)CC1 1912993645 WPCDQUIFKZEVAY-UHFFFAOYSA-N 268.404 4.711 30 10 CJEE C=C(C)[C@H](O)c1ccc(-c2ccccc2Cl)s1 1919663131 MGKBQDDJTJNIOE-AWEZNQCLSA-N 264.777 4.678 30 10 CJEE C=CCOc1ccc([C@H](O)CCC(C)(C)CC)cc1 1920042661 DYFZBQMFGLRHTF-MRXNPFEDSA-N 262.393 4.501 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1cc(C)ccc1Cl 1920351313 URGUOTQGQXVMEE-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1N(Cc1ccccc1)C1CCCC1 1932014493 ZEMHJTUAJKJYRL-QUCCMNQESA-N 296.458 4.904 30 10 CJEE CCC[C@](C)(C=O)CN(Cc1ccccc1)CC(C)(C)C 1932034122 OXGPDCNJCHYDRP-IBGZPJMESA-N 289.463 4.540 30 10 CJEE CCCCCCCCCC[C@](C)(N)C1CSC1 1942284839 NMJVNMWYRRJQNR-HNNXBMFYSA-N 257.487 4.598 30 10 CJEE C=C1CCC(C[C@@](C)(N)c2ccc(Cl)s2)CC1 1949032892 XFRDDPGBZPYKHT-CQSZACIVSA-N 269.841 4.712 30 10 CJEE C[C@@H]1CC[C@@H]([C@H](C#N)Sc2ccc(Cl)cc2)C1 1949502293 UDDMLPVYFVYJHP-GYSYKLTISA-N 265.809 4.760 30 10 CJEE C=CCN(CCCCCC1CC1)Cc1ccccc1 1953425214 BWYIRQVAQWESDC-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCCC(F)(F)C1 1956097581 RIBACCZVJBAFMI-KRWDZBQOSA-N 293.401 4.890 30 10 CJEE CCCCCCCCN1CC[C@H]1c1ccccc1F 1963223560 ZAZOGUXOUVZDQW-KRWDZBQOSA-N 263.400 4.933 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C(F)(F)C12CCC2 1967838566 CSKCGRBNSXUWRD-UONOGXRCSA-N 273.411 4.760 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cc(Cl)sc1Cl 1975914462 XNHAVDGZQXTCOB-KWQFWETISA-N 278.248 4.918 30 10 CJEE Cc1cc(Br)c(C(=O)C2=CCCCCC2)s1 1978452294 ZOVJRPBFYZLZKV-UHFFFAOYSA-N 299.233 4.892 30 10 CJEE C=CC1(NCc2cc(Cl)c(Cl)s2)CCCC1 1984025140 CZENMWKMXWKUOB-UHFFFAOYSA-N 276.232 4.643 30 10 CJEE C=CC1(Cn2ccc3cccc(Br)c32)CCC1 2002633858 QCCRFXWMYGMPKV-UHFFFAOYSA-N 290.204 4.760 30 10 CJEE C=C(C[C@@H](NC)c1ccc(Br)cc1)C(C)(C)C 2003682963 JOZOVQLYQHFRCL-CQSZACIVSA-N 296.252 4.702 30 10 CJEE CCCCCCCCCCN=[S@@](C)(=O)C(C)C 2019269653 QNPIZCASUQELRO-KRWDZBQOSA-N 261.475 4.633 30 10 CJEE CCCCCCCNC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2029184655 BVFBVZTXQUAEBK-HRCADAONSA-N 251.458 4.619 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)C(C)(C)C1CCCCC1 2032291720 UXKHAAFIRFLCIE-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H](N)c1csc(C(C)(C)C)n1 2037107041 UGGKOQMVJYEXFJ-GFCCVEGCSA-N 268.470 4.801 30 10 CJEE CCCCCCCCCC[C@H](N)c1nc(C)cs1 2037118749 WKMDRCUOOSMLDN-AWEZNQCLSA-N 268.470 4.982 30 10 CJEE C=C1CCC(C[C@@](N)(CC)CCC(F)(F)F)CC1 2037159367 NFADHLMGFDTUSW-CYBMUJFWSA-N 263.347 4.573 30 10 CJEE C=CCC[C@@H](C)[C@@H](CSC1CCCCC1)NCC 2040527794 YUDAMDVRNFFXTL-GDBMZVCRSA-N 269.498 4.633 30 10 CJEE CCCCCCCCC[C@@H](NCC)C1(C)CSC1 2045763856 MEVRSEMQUYRZNH-OAHLLOKOSA-N 271.514 4.858 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCC[C@H]1CC 2045815185 GTCMCLCTDZWEBY-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE CCCC[C@](C#N)(CC)CC[C@H]1COC(C)(C)C1 2045997343 JNKYPOAZMZXWGL-GDBMZVCRSA-N 251.414 4.692 30 10 CJEE CCCCCCC[C@@]1(CNCC)CCC12CCC2 2047937186 WAGQWMDPUWOZBQ-KRWDZBQOSA-N 251.458 4.907 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)[C@@]1(C)CC1(F)F 2052573930 PLUGXNWELUXTJE-MELADBBJSA-N 261.400 4.759 30 10 CJEE C=CCCCCC1(C(=O)OCC)CCCCCC1 2059147275 BINVZXOSSLEIRU-UHFFFAOYSA-N 252.398 4.637 30 10 CJEE CC[C@@](C#N)(CCCCC1CCOCC1)C(C)C 2064494835 UMAYMAXHYHZYBY-INIZCTEOSA-N 251.414 4.549 30 10 CJEE C=CCCCC[C@@H](NCC)C1(C(C)(F)F)CCC1 2069945838 MGPOCXLTGGTSDB-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE CCC1CCC(C=O)(CC[C@H](C)C(F)(F)F)CC1 2071559764 DBZKMNLGAGJDKW-HIFPTAJRSA-N 264.331 4.751 30 10 CJEE C=CCCC[C@H](CC1(C(C)C)CCC1)NCCC 2071950290 NVBSVOARYJQWOQ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCC[C@H](CC)Nc1cc(Cl)c(C#N)cc1F 2073295283 WWRLFYWICHNGQI-NSHDSACASA-N 268.763 4.731 30 10 CJEE CCCCCCCCN(C)CC(F)(F)CC1CC1 2074909375 RYVOQRRJAZTQML-UHFFFAOYSA-N 261.400 4.714 30 10 CJEE CCCCN(C[C@@H](CS)C(C)C)C1CCCCC1 2076590305 XFNZRUNIWYGLAZ-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H]2C[C@]2(C)C(F)(F)F)C1 2078617311 ZDQJZYVPFODRGB-WXHSDQCUSA-N 259.315 4.685 30 10 CJEE C=CCC[C@@H](CC1CC(C)(C)CC(C)(C)C1)NC 2082981548 DUWMEMWAIDTYFI-HNNXBMFYSA-N 251.458 4.783 30 10 CJEE CCCCCC#CC[C@@](C)(O)C1CCC(C)CC1 2083390907 HMWHFHAOIZMACE-OFLPRAFFSA-N 250.426 4.538 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(C)sc1C 2083431411 SFQJSQYEZWSFFI-MRXNPFEDSA-N 263.450 4.599 30 10 CJEE CCCC#CC[C@@H](NCC)c1cc(C(F)F)cs1 2083436475 JQYDIFOHHLGUMN-GFCCVEGCSA-N 271.376 4.530 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCC(C)(C)CC1)P(C)(C)=O 2084161008 IOWAMKWZZCRLDR-UKRRQHHQSA-N 269.369 4.888 30 10 CJEE C=CCCCCCCCC[C@@H](NC)C1(SC)CC1 2086282765 MSQAUXYOROMYER-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1ccc(C2CC2)s1 2090879661 PWONKDCITGHNMT-CYBMUJFWSA-N 280.433 4.530 30 10 CJEE O=CC1(C[C@H]2CCCC[C@@H]2C(F)(F)F)CCCCC1 2092591495 USFHACQZZBHFBO-OLZOCXBDSA-N 276.342 4.895 30 10 CJEE Cc1cc(Cl)cc(C(=O)CC#CC2CCCCC2)c1 2093463243 RUFHRVLZBBTRNE-UHFFFAOYSA-N 274.791 4.805 30 10 CJEE CC(C)(Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 2094160500 IPRMWDHZSUARJS-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CC[C@@H]2CCCC[C@H]21 2095354036 XLRILEPYLKWZHV-APHBMKBZSA-N 274.795 4.614 30 10 CJEE CCCCCCC[C@@](C)(N)c1c[nH]c2ccccc12 2098368906 GJYOWWQLADMGGG-QGZVFWFLSA-N 258.409 4.702 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(N)c1ccc(C(C)(C)C)cc1 2098582518 SDARNYIFNZZMAJ-GOSISDBHSA-N 259.437 4.760 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CC12CCCCC2 2100556350 RDMNUBBGZYAKGV-LSDHHAIUSA-N 274.795 4.614 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2102473048 MZGPMDGITPXHJI-AVEIZBFRSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC[C@@]12CCCO2 2104435667 HUVZWPNAYKAKJI-SJORKVTESA-N 267.457 4.558 30 10 CJEE N#C[C@H](C(=O)CCC1CCC1)c1c(Cl)cccc1Cl 2104648408 AGCBONDKIBPXAP-LLVKDONJSA-N 296.197 4.750 30 10 CJEE N#Cc1cc(Cl)ccc1NC[C@@H]1CCC=CCCC1 2107486863 WDLOHWPAFIGGIK-CYBMUJFWSA-N 274.795 4.760 30 10 CJEE CCCC1CCC(C#N)(C2C[C@H]3[C@H](C2)C3(F)F)CC1 2107617892 VZPYTVMJTBSAAL-IFFKYPLHSA-N 267.363 4.778 30 10 CJEE C=CCC[C@@H](C)C(=O)c1ccc(Cl)c2cccnc12 2107735521 FNGBESFHIWZIRF-LLVKDONJSA-N 273.763 4.673 30 10 CJEE CCCC[C@@](C=O)(CC)CC1(COC)CCCCC1 2108187870 AGGXVMAMKKWZGG-INIZCTEOSA-N 268.441 4.759 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1csc(C(F)(F)F)c1 2108207236 PZMWOVVZNLGIHB-RYUDHWBXSA-N 291.338 4.520 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ncco1 2108231153 NSQPCZYQPUBZEV-HNNXBMFYSA-N 266.429 4.856 30 10 CJEE CCCCCCCCCCC(=O)c1csc(OC)n1 2108243492 LKDVSKVPQHUSIQ-UHFFFAOYSA-N 283.437 4.865 30 10 CJEE C[C@](C=O)(C[C@@H]1CC12CCCCC2)c1ccccc1 2109399021 OWRHIOUJQBYTAO-IAGOWNOFSA-N 256.389 4.504 30 10 CJEE CCCCCCC[C@@H](O)CC(C)(C)[C@H](C)NCCC 2111289515 VSWGIJXKRAMWIO-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE C#CC(C)(C)C[C@H](C[C@H](C)CC(C)(C)C)NCCC 2111309948 NCLYUPGKSCPZNY-HOTGVXAUSA-N 265.485 4.867 30 10 CJEE C#CC(C)(C)C[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1 2111312039 FNWDNDCQDFQFSX-CRAIPNDOSA-N 263.469 4.621 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ncc(C(F)(F)F)s2)C1 2112231697 NTUVFQIBUCOXKR-LBPRGKRZSA-N 288.338 4.523 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)[C@@H]1CCCC(C)(C)C1 2112267208 RFCVRGVTXMYWAV-UKRRQHHQSA-N 256.393 4.575 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(F)c(F)cc1Cl 2112343384 ZINUKWMZTXJKKF-ZANVPECISA-N 284.737 4.503 30 10 CJEE CCCCCCCCCCN(CC#N)CC(F)(F)F 2114159626 OBTRSHQHPXEWGU-UHFFFAOYSA-N 278.362 4.515 30 10 CJEE CCCCCCC[C@@H](N)c1cncc(C(C)(F)F)c1 2114610181 ZSIFTSVWESVJAO-CQSZACIVSA-N 270.367 4.554 30 10 CJEE CCCCCCCCC[C@]1(O)CCCC(=O)C1(C)C 2116354273 HWBPTALYAIZILZ-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=C(C[C@H](NCCC)C1(C)CCC(C)(C)CC1)OC 2120092411 QHQAXBMBIVPHJW-HNNXBMFYSA-N 267.457 4.511 30 10 CJEE CC1(C)C(C)(C)C1(C)Nc1cc(Cl)c(C#N)cc1F 2120885211 PIOQQJDBXNUOJQ-UHFFFAOYSA-N 280.774 4.587 30 10 CJEE C=CCCC[C@@H](N)c1ccccc1-c1ccccc1 2122681021 LXEACBQRXGEICB-GOSISDBHSA-N 251.373 4.710 30 10 CJEE C=CCCCCC(=O)c1ccccc1OC(F)(F)F 2123083064 HLRVAZSIAKBAQY-UHFFFAOYSA-N 272.266 4.514 30 10 CJEE CC1(C)CC=C(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC1 2125177814 MIAMSAOAMHAJCT-KKUMJFAQSA-N 260.421 4.764 30 10 CJEE CC1(C)CC=C(C(=O)C2CC3(C2)CC(C)(C)C3)CC1 2125197053 YTCZWVUTOFHROR-UHFFFAOYSA-N 260.421 4.908 30 10 CJEE CC[C@H]1CC=C(C(=O)CSc2cccc(F)c2)CC1 2125224332 WLSNUBZWJXLJIZ-LBPRGKRZSA-N 278.392 4.623 30 10 CJEE CCCCCCCC[C@H](CC[C@@]12CCC[C@H]1C2)NN 2125624116 OPDSIOIHZDRANW-GVDBMIGSSA-N 266.473 4.539 30 10 CJEE C=C1CCC(C[C@H](NC)C2CC(=C3CCC3)C2)CC1 2125736475 VIJINMDKAMWCPS-SFHVURJKSA-N 259.437 4.601 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccc(F)c(Cl)c2F)C1 2125744853 QXVIRDMTJIFFRJ-CYBMUJFWSA-N 285.765 4.625 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3C2)CC1 2127054742 GYQFJTAKRVIACI-SIXLDLHFSA-N 260.421 4.764 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CC23CC(F)(F)C3)C1 2132943939 IPBRBZHYCRRGKQ-MGPQQGTHSA-N 267.363 4.922 30 10 CJEE C=CC1(CNC[C@@H]2CCC[C@H](CC)C2)CCCCC1 2132974696 ZKKZFWOZUUNFPT-DLBZAZTESA-N 263.469 4.929 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]2C2CCCCC2)CCC(F)(F)C1 2135640761 QINUEEUUYWNDEC-ILXRZTDVSA-N 270.363 4.597 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1C[C@@H]1c1ccccc1 2135713237 WZINEUJVNBEDGL-FUHWJXTLSA-N 254.373 4.640 30 10 CJEE CCCCCCC[C@]1(C)NC[C@]2(CCC(C)(C)C2)O1 2136902951 BTGMMDGYXUGZSQ-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE CCCCC#CC[C@@H](NCC)C1CCCCCCC1 2138958118 DMSOUGWTHKZWEY-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCC#CC[C@]1(CNC2CC2)CC[C@@H](CC)C1 2138993487 JJAZRNZPLVEUHG-AEFFLSMTSA-N 261.453 4.519 30 10 CJEE CCCCCC#CCC(=O)[C@@H]1C[C@@H]1C1CCCCC1 2139048002 GNYJWGZURLJIKN-IAGOWNOFSA-N 260.421 4.746 30 10 CJEE C#C[C@H](NC1CCC(CC)(CC)CC1)C1CCCC1 2139184447 BARTUPAFRQQFGB-KRWDZBQOSA-N 261.453 4.517 30 10 CJEE CCCC[C@](C)(C#N)c1cc(C)c([N+](=O)[O-])cc1Cl 2139760349 QWVHYVHRGCFUJQ-CQSZACIVSA-N 280.755 4.528 30 10 CJEE C#CCCCCCNCc1ccc(-c2cccs2)s1 2141402269 AXQXJQJUXKRQBV-UHFFFAOYSA-N 289.469 4.760 30 10 CJEE C=CCCCCCC[C@@H](NCCC)c1ccncc1 2141906473 VIXISZKQQFXAOK-QGZVFWFLSA-N 260.425 4.649 30 10 CJEE C=CCCCCCC[C@H](N)C1CC2(C1)CC(F)(F)C2 2141906563 WAVMHLMVJHWSKC-AWEZNQCLSA-N 271.395 4.666 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H]1CC2CC1C2 2141917117 RWENTDRXMCKTTF-OPQOLIRYSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 2141924220 RNYOYBNWDPUELE-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCN(C)[C@@H](C)c1ccc(O)cc1 2142001862 KWMUHPSEXCWBLS-HNNXBMFYSA-N 261.409 4.522 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1C[C@@]1(C)C(F)F 2142439905 OXTVZYIZUHTKDR-IJEWVQPXSA-N 274.395 4.945 30 10 CJEE N#C[C@@]1(Cc2ccccc2C(F)(F)F)CCC(F)(F)C1 2146980932 BIJJTGZJKLANHS-GFCCVEGCSA-N 289.247 4.577 30 10 CJEE CCCCCCCC(=O)[C@@H](O)c1ccc(C2CC2)cc1 2147169723 PHZUORLUSLJKSW-SFHVURJKSA-N 274.404 4.527 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)c1cccc(C(C)C)c1 2147431053 YGIKATBGYVOTIQ-ZWKOTPCHSA-N 277.452 4.531 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCCC)[C@@H](C)CC(C)C 2147942536 QBTNARLSFYVHGV-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](NC)[C@](O)(CCC)C1CCC1 2148590919 WBTXWBIVTFXWPR-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CC1CCCCC1 2149865204 RJPCOEKCTOZTSL-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@@H]1CCC[C@H](C)C1 2149871038 QDXUSCGFRUGUOS-QXAKKESOSA-N 275.480 4.765 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(OCCC)cc1 2152863515 DJKNYXQOACIEJM-HZPDHXFCSA-N 275.436 4.871 30 10 CJEE C=C1CCC(CC[C@H](NCCC)c2ccccn2)CC1 2155635065 YUMQUUPNTWYZNC-SFHVURJKSA-N 272.436 4.649 30 10 CJEE N[C@@H](CC#CC1CCCCC1)[C@@H]1CCCC(F)(F)CC1 2155810838 OMEVVGROQWZIDI-CVEARBPZSA-N 283.406 4.503 30 10 CJEE Cc1ccc(F)cc1C[C@@]1(C=O)CCCC(C)(C)CC1 2157108405 WMTDDGMJDREMJE-GOSISDBHSA-N 276.395 4.852 30 10 CJEE CC1(C)CCC[C@H](CNc2cc(F)cc(C#N)c2)CC1 2157113935 OIMDDUXFGQFCAQ-ZDUSSCGKSA-N 274.383 4.716 30 10 CJEE C[C@H]1C[C@H](C)CC[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2157116085 BIUZKUZMAIAREX-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC(=O)[C@H](O)[C@H]1C(C)=CCC[C@H]1C 2157172143 BRHVDZVZCYVNBN-NJAFHUGGSA-N 280.452 4.659 30 10 CJEE CC[C@](O)(C1CCCCC1)C1(C#N)CCCCCCC1 2158441440 GCWKJVJGWOGSAK-SFHVURJKSA-N 277.452 4.962 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CO[C@@H](C)C1)NC 2159342268 GWAOTRARFMWPJR-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NC 2162008582 BTNJZQNHGCTJTQ-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@H]1CC(F)(F)CC[C@H]1NC 2162019262 PODSDKAAZZVJNL-CABCVRRESA-N 291.426 4.529 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2163625107 UTPTXHAGVIKDDP-NWANDNLSSA-N 282.374 4.908 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnc(N(C)C)s1 2164017990 QMXOCAHZPMYAJY-CQSZACIVSA-N 297.512 4.610 30 10 CJEE C#CC[C@H](NCCC)c1ccc(-c2ccc(Cl)cc2)o1 2164213771 YWZOUCHAOXWJCF-HNNXBMFYSA-N 287.790 4.664 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(OCCC)cc1 2164262793 AXHIQHBNHQWPDM-MAUKXSAKSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCC[C@H](CCCCCOC)NN 2164494453 VNIASAFMSXJLOM-QGZVFWFLSA-N 286.504 4.556 30 10 CJEE Cc1cc(N[C@@H]2C[C@H]3CCCCCC[C@H]32)ccc1C#N 2166188563 VZGYYHLQWNLINO-ZTFGCOKTSA-N 268.404 4.638 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CC3(CCC3)CO2)CC1 2166399445 BZHKTNUODXCJCJ-WBVHZDCISA-N 275.436 4.836 30 10 CJEE C#CC(C)(C)C[C@H]1CC(C)(C)CC[C@@H]1CNCC(C)C 2167602925 DPBRBRRCBKTFPO-SJORKVTESA-N 277.496 4.724 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@]1(C)CCCC1(F)F 2167955647 ZSPRVPVHVCDBSZ-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE CC1CCC([C@@H](C)N(C)CC#CC2CCCCC2)CC1 2168496069 XDBKTSIZUYEGEX-TVRKMHQQSA-N 275.480 4.717 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@H](N)CC 2170600918 OYRSROFUDDZZKZ-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)c1cnc(C(C)(C)C)s1 2170726520 LTVUUAFGVBJWFV-CJNGLKHVSA-N 294.464 4.584 30 10 CJEE CCCCCCCO[C@@H]1CC2(CC[C@@H]1NCCC)CC2 2171362450 XZCROTODXQNGSV-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCC1(CC)CCCN([C@@H]2C[C@H](C)CC[C@H]2C#N)CC1 2171394818 OMPHWUYIYGJYCH-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CC[C@]1(C)CCSC(=NCC2(C)CCCCCCC2)N1 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CCCCCCCC[C@H](O)[C@@H](CCCC(C)(C)C)NC 2207458637 TVEBQEKRDJDMIM-SJORKVTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](Nc1ccccc1C)C(=O)O 2207465862 AHDJJPHPZIUNRI-INIZCTEOSA-N 277.408 4.611 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 2207497973 SKDNHSSHZSYRTK-NHYWBVRUSA-N 285.353 4.877 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(C)cs1 2214614911 GJHQJVYMXHEBQK-AWEZNQCLSA-N 251.439 4.973 30 10 CJEE C=CCCCCCCC[C@]1(N)CCS[C@H](C)C1 2214619404 VHBDKZSWUHAPFW-CABCVRRESA-N 255.471 4.516 30 10 CJEE CCCCCCCC(=O)CCc1cccc(F)c1 2217827593 RCVJBRWNSFHLBN-UHFFFAOYSA-N 250.357 4.688 30 10 CJEE C=C1CCC(C[C@H](N)c2sc(C)c(C)c2C)CC1 2221235470 JSTBUPFQIGCVEH-HNNXBMFYSA-N 263.450 4.810 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(C#N)c(Cl)c1 2223230447 VEDDBVQFEFOVQU-CYBMUJFWSA-N 263.768 4.725 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1CC1(F)F 2223848176 MGEHOUTYPJDAAC-KBPBESRZSA-N 261.400 4.760 30 10 CJEE Cc1ccc(NCCCCCCC2CC2)cc1C#N 2225782754 MPXFRFCACFMHMB-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE 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C=C(CC)C[C@@](CC)(CCCCC)OCCC(=O)O 2275153778 UEJXXRJPPXCGEV-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@H](C=C1CCC1)OCCN 2276189267 YSENWZPYDFFWIG-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCC1(OCCN)CC(CCCC)C1 2276760138 YVODWTDBRYOJKX-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE FC(F)(F)c1ccc(OCCCCCCCS)cc1 2277443085 LXLDOWNNVPCYLW-UHFFFAOYSA-N 292.366 4.965 30 10 CJEE C=C1CC(C[C@@H](NC)c2sc(C(F)(F)F)cc2C)C1 2277674960 DAEYRVLARNMQLI-LLVKDONJSA-N 289.366 4.692 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc2scnc2c1 2278614923 JRJWYHDEMCFJSF-OAHLLOKOSA-N 275.417 4.856 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)[C@H]1CCCC(C)(C)C1 2280477498 CPZVXYBRVOFRLQ-STQMWFEESA-N 274.383 4.714 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1CC(F)(F)C12CCC2)NCCC 2281090405 YYEQQFHTZKNYFR-KKUMJFAQSA-N 285.422 4.782 30 10 CJEE N#Cc1cc(F)c(NCC[C@H]2CCCC23CC3)cc1Cl 2281387116 RZOHNEVYVUKJGX-GFCCVEGCSA-N 292.785 4.733 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](NC)c1sccc1CC 2283053303 PZQUPPASFJCUIF-CVEARBPZSA-N 297.508 4.683 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2 2284074005 XBOHLBPFUSBEDP-SNRMKQJTSA-N 273.464 4.526 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C(C)(C)C(F)F 2284164092 GXTZVFGBGOORQR-CQSZACIVSA-N 285.422 4.642 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(O)CCC=CCC1 2285714540 DIHPRFPUZVWWPW-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CCC[C@@](C=O)(CC)CN(CC(C)C)C1CCCCC1 2287681006 JFGMFLHTBIGYFS-SFHVURJKSA-N 281.484 4.673 30 10 CJEE CCCCC#CC[C@](CC)(CCCCC)OCCCN 2292560465 QXTKJQIXHCBHHX-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCCC[C@H](OCCCN)C1(CC)CCC1 2292769706 OLUPTMOIFHGOJP-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]1C1CCC1)OCCN 2292854437 CPQLXXMNHBWZIM-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CCCCCC[C@](CC)(OCCN)C1CCCCC1 2292902742 LMYPYPPZKCIGFF-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C1(OCCCN)CC(CCCCC)C1)[Si](C)(C)C 2293334498 QHJANSBWWPGFMY-UHFFFAOYSA-N 297.559 4.515 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccc(OC)s1 2293686889 AUVVZGJCKVDJQN-AWEZNQCLSA-N 299.480 4.524 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H]1CCCN1C 2295678627 ZTWZABFZHSQNNH-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE c1ccc2c(c1)oc1ccc(CCCC[C@@H]3CO3)cc12 2295821495 NPJFIYVOXCJSCR-CQSZACIVSA-N 266.340 4.698 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1csc(Cl)c1 2300162890 IBFNUILSCFFTFE-GMXVVIOVSA-N 269.841 4.797 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc(C)ccc1Br 2301014637 FVGKWKNRVUBHKG-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc(Br)c1C 2301057868 NJMVYGWVLHLSPL-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1csc(C)c1 2304061636 GXHKJBQTPNMSQI-LSDHHAIUSA-N 251.439 4.700 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)NCCC 2311586018 CBRZESPLNHWOMQ-XUWVNRHRSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)O)c(C)c1 2313523728 DCKJKKBAYONAKK-ZDUSSCGKSA-N 262.418 4.661 30 10 CJEE C=CCC(CC=C)C(=O)Cc1ccc(Cl)cc1Cl 2316728139 BRGOBQSLMQHXHG-UHFFFAOYSA-N 283.198 4.873 30 10 CJEE C=CCC(CC=C)[C@H](O)CSc1ccc(Cl)cc1 2316732024 RBGAPWLZUOWTLV-OAHLLOKOSA-N 282.836 4.561 30 10 CJEE Cc1c([C@H]2C[C@]2(C=O)C(F)(F)F)ccc(Cl)c1Cl 2318096636 KDAICNMPFFGFSH-LDYMZIIASA-N 297.103 4.537 30 10 CJEE CC(C)(C)[C@H](CS)COC[C@H]1CC[C@@H]1C(C)(C)C 2320145517 ZWOVDLLLSGEXFD-RDBSUJKOSA-N 272.498 4.667 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CC[C@@H](C)[C@@H](C)C1 2321115853 HOUIFXAOWVVOJT-QKPAOTATSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC12CCC(CC1)CC2 2321238533 XAXFWUCPDDJFEK-VUROTCPHSA-N 250.426 4.700 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1ccc(C)c(C)c1 2322884607 KMLKCAGYROFKCL-UHFFFAOYSA-N 292.378 4.764 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2333706393 MHYKZEKXKBMTMP-RZFLPCETSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC[C@H]1NCCC 2335200423 LKUKKNPSVSJWAZ-SJORKVTESA-N 281.509 4.941 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cnccc1SC 2336640433 BNUIVBVKMOORNY-MRXNPFEDSA-N 280.481 4.728 30 10 CJEE C=CC[C@@H]1CCCCN1C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338931451 AKJKKVCPEJRNRN-XLAORIBOSA-N 261.453 4.633 30 10 CJEE CC[C@](C=O)(CC(C)(C)Cc1ccccc1)C(C)C 2339390067 VBAKLFYWFFLVIT-GOSISDBHSA-N 260.421 4.897 30 10 CJEE C#CCCN(CCCC1=CCCCC1)CC(C)(C)C 2341045281 MJGIUJMSCRSTFL-UHFFFAOYSA-N 261.453 4.638 30 10 CJEE C=CC[C@H]1CCCCN(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343351863 QCQKLRBOAYMCJY-YESZJQIVSA-N 263.469 4.737 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(F)c(C)c1Cl 2344346273 QYOSWDCCMDUPMZ-GDBMZVCRSA-N 283.818 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(C)cc(C)cc1F 2344349460 STSIJOWUXIVMSV-DLBZAZTESA-N 263.400 4.695 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(CCCC)cc1 2344356341 LTTBPJBKELOQDN-CRAIPNDOSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)C(=O)c1cccc(C(C)C)c1OC 2344378764 HNUGAABTOBJFFQ-UHFFFAOYSA-N 260.377 4.604 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCC[C@H]1CC2)NCC 2344386349 VWVMIYGNVIRYRO-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)C(=O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2344421237 QLWNFTQOMIECGZ-FQUUOJAGSA-N 270.363 4.619 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C(F)(F)F)ccc1C 2344474999 FCUOJQMTYATRBY-ZDUSSCGKSA-N 272.310 4.650 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)C1CCC(CC(F)(F)F)CC1 2353640776 MYNWZTAKIFTDIB-BLYZHGLHSA-N 278.358 4.708 30 10 CJEE CSc1cc(O[C@@H](C)CCC=C(C)C)ccc1C#N 2353835039 QFMAZVTYLJCDGD-ZDUSSCGKSA-N 275.417 4.794 30 10 CJEE CSc1cc(Oc2ccc(C)cc2C)ccc1C#N 2353836307 YOWWLPJTFXUYEG-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE Cc1ccccc1/N=C1\NC(=O)S\C1=C/c1ccccc1 6217914 JAFBCMGXTMTEOW-PTNGSMBKSA-N 294.379 4.523 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2cccs2)C1 37156226 IHYYTGRWWFVBGC-YNEHKIRRSA-N 265.447 4.949 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2cccc(Cl)c2)c(C)c1 37937202 BLGFBKQQIOAPSJ-INIZCTEOSA-N 284.790 4.942 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccc(F)cc2)cc1C 57685771 ILBYGQJLPJGKMM-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE N#C[C@H](CCOc1ccccc1Cl)c1cccc(F)c1 57688865 OSEDCFMZCFNXSJ-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCCCCCCCOc1ccc(/C(C)=N/O)cc1 59076395 MMDGDTXNVVBARN-SAPNQHFASA-N 263.381 4.624 30 10 CJEE CCCCCCCCOc1ccc(CCC(C)=O)cc1 59089330 MDUNMSMEPCSPEN-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(F)cc1 59284940 CXMWDISZDSWSRE-INIZCTEOSA-N 251.389 4.837 30 10 CJEE N#CCCCSCC(=O)c1ccc(-c2ccccc2)cc1 82693331 PTMUVWRQVHFSAI-UHFFFAOYSA-N 295.407 4.573 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2ccc(C(C)C)cc2)CC1 91881621 XJKORTBEEKKUDS-GMXGEUMGSA-N 271.404 4.563 30 10 CJEE CCC(CC)(CS)COc1ccc(F)cc1Cl 94582202 SBXGIITZLLQMFL-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CC[C@H]1CCC[C@H](OCC2(CS)CCCCC2)C1 94585858 PYDPMQRNYSXEGS-GJZGRUSLSA-N 270.482 4.852 30 10 CJEE CCCC(C#N)(CCC)C(=O)N(CC(C)C)C1CCCC1 94848186 FAXJZXMKFRSTGX-UHFFFAOYSA-N 292.467 4.524 30 10 CJEE CC(C)CC1(CNc2ccccc2C#N)CCCC1 94877933 KBAPODAKTPCYPZ-UHFFFAOYSA-N 256.393 4.577 30 10 CJEE C=C(CC)C[C@@H](O)C1(c2ccccc2)CCCCC1 97208349 MPIVJUCLEVORTK-QGZVFWFLSA-N 258.405 4.606 30 10 CJEE COc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103029840 KPTJBRCFIMARKK-SEYXRHQNSA-N 295.382 4.627 30 10 CJEE Cc1ccc(Cl)cc1Nc1cc(Cl)ccc1C#N 104005498 ABDFNHPOWTVKGR-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=CC[C@H](CC)c1ccc(C)cc1Br 107497911 SJBFKJWMPCSKJC-NSHDSACASA-N 253.183 4.827 30 10 CJEE CCCCCCC[C@@H](C)NCc1cccnc1OC(C)C 109925988 WXTGLMHHCZZQPC-MRXNPFEDSA-N 292.467 4.707 30 10 CJEE CCCCCCCCOC[C@@H](O)c1ccc(C)c(C)c1 110023362 AOFSZBINDCFPKN-GOSISDBHSA-N 278.436 4.714 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@H]1C(C)(C)C 114071707 IDPLPVFNIDZIHT-QGZVFWFLSA-N 296.543 4.836 30 10 CJEE N#Cc1cc(F)cc(COc2cc(Cl)ccc2Cl)c1 124012655 OJPSGWGHYMKSRY-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 124783875 BHPRGXFPVOOWGP-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCCCCCCCC[C@](F)(CN)c1ccccc1 127323428 VPWOOYKXCNOCHW-KRWDZBQOSA-N 265.416 4.951 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(C#N)cc1 127596746 QFBVXNBTDWOABY-KRWDZBQOSA-N 259.393 4.732 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc2c(c1)CCC2 127806535 OHNLPPJNPBGEFZ-GFCCVEGCSA-N 296.801 4.873 30 10 CJEE CCCCCCCCOc1ccc(C[C@@H](C)NCC)cc1 132087762 ZVAQIFNAOHEFPL-QGZVFWFLSA-N 291.479 4.966 30 10 CJEE C#CCCC[C@H](NCC)C1(c2ccccc2)CCCCC1 134024621 DURXECFATADWHN-IBGZPJMESA-N 283.459 4.670 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cccc2Cl)cc1F 135259348 QQBPXEWXPPSJOM-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCC[C@@H](CCc1ccccc1C)NC 139593804 MRFNPNSTZDOVPX-SFHVURJKSA-N 261.453 4.876 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(C)nc1C 140314907 SORWYSNIYBXSRD-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](CC)OC 158208886 XSBJOYDGNSBZOT-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE N#Cc1ccc(CNc2c(F)cccc2Cl)c(Cl)c1 162839289 MPMMAZNCVCNBPD-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@H](C)c2ccccc2C1=O 164058202 URZVTJIGBDVSHF-WMLDXEAASA-N 286.415 4.922 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(Br)ccc1C 167766227 HVINCARFIBAAQW-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE Cc1ccc(Cl)c(Oc2ccc(C#N)cc2C)c1 203451572 PFPXOQOBPVLIGD-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C=C(CNC(C)(C)C)COc1ccc([C@H](C)CC)cc1 232349259 NFDSTFKQNYMAEO-OAHLLOKOSA-N 275.436 4.523 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCCCC1=O 232928528 YBPFYNVRTCKLKG-KRWDZBQOSA-N 282.424 4.731 30 10 CJEE C[C@@H]1CC[C@@H](CNc2ccc(C#N)c3ccccc23)C1 235359273 PFQBVXMLZJBZHO-ZIAGYGMSSA-N 264.372 4.560 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C 251955053 XDSFZKNHCNYQFZ-CPUCHLNUSA-N 270.420 4.724 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C)cc1C(C)=NO 252461594 NNIUUQSTYFSJKF-GDBMZVCRSA-N 275.392 4.541 30 10 CJEE ON=C1CCCCCCCCCC[C@H]1N1CCCCC1 254293317 YPGPOKIALLCVCA-QGZVFWFLSA-N 280.456 4.586 30 10 CJEE C=CCCCCNc1cc(C(F)(F)F)cc(Cl)n1 310981783 GAOANUTVCOTAPK-UHFFFAOYSA-N 278.705 4.522 30 10 CJEE CCCNC[C@@H]1CCCCC[C@@H]1CC#CC(C)(C)C 311335724 KVTRIDVTGDKCGQ-SJORKVTESA-N 263.469 4.622 30 10 CJEE C=CCCCN(C)c1cccc(Cl)c1[C@@H](C)NCCC 313561800 UGNAUMDFDCQOED-CQSZACIVSA-N 294.870 4.803 30 10 CJEE C=C(C)CC[C@]1(CNCCC)CCC[C@@H](CC)C1 318421634 KPOGPVRCHXTLQP-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=CCCCCCCNc1c(N)ccc(Cl)c1F 380739224 KRHMDLSKRIZEMD-UHFFFAOYSA-N 270.779 4.610 30 10 CJEE C=CC(C)(C)CNC1CCC(c2ccccc2)CC1 384848566 KQVUYGLUSJWOQO-UHFFFAOYSA-N 257.421 4.515 30 10 CJEE CC(C)c1ccc([C@H](O)[C@@]2(C#N)CCCC[C@@H]2C)cc1 385023214 OTRSHRXQJQCOKY-JCGIZDLHSA-N 271.404 4.563 30 10 CJEE CC(C)(C)CCOCC1(C#N)CCC(C)(C)CC1 385654571 WYFOJUPNVPWISM-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE C=C([C@@H](NCCC)c1ccc(F)cc1Cl)C(F)(F)F 388357221 HCMLHQYEWRPOPR-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CCCCCCCCC[C@H](NCC)c1coc(C)n1 388925878 QGWUVXCQKKNGOL-HNNXBMFYSA-N 266.429 4.774 30 10 CJEE N#C[C@@]1(CCC2CCCC2)CCc2ccccc2C1 388984868 ZVCNSNMCTBWDOH-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CCCCCCCC[C@H](CCC(C)(C)C1CC1)NN 405771486 MSXMRIGYLCIGCP-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccccc1Cl 410352396 HTBAVWDAJLQDOT-UHFFFAOYSA-N 285.774 4.711 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c2ccccc12 521663191 LLMYZLGIXCAITL-ZIAGYGMSSA-N 299.389 4.758 30 10 CJEE C=CCC(C)(C)c1noc(CSc2ccccc2C)n1 551492966 ACXUKGWIPVSEDG-UHFFFAOYSA-N 288.416 4.524 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](C)O[C@H]1C 686480033 SXMWBINWTVAGOL-XDNAFOTISA-N 283.500 4.919 30 10 CJEE C#CCCCCCN(C)Cc1cc2cscc2s1 686684566 WSQWUCJZFSYGDJ-UHFFFAOYSA-N 277.458 4.588 30 10 CJEE C#CCCCCC[C@@H](NC)C1(CC(C)C)CCCC1 686694529 BPCLEWHHGOOGDE-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(C)c(F)c(C)c1 686694858 SOBNRUCTQUAPCK-QGZVFWFLSA-N 275.411 4.677 30 10 CJEE CCCCCCCCCCNC[C@]12CCC[C@@H]1OCC2 687474705 VVGFOFUSJVXTMK-ZWKOTPCHSA-N 281.484 4.676 30 10 CJEE CCCCCCCCC(=O)Nc1sccc1C(C)=O 690850952 MIVHMGYSOJVASZ-UHFFFAOYSA-N 281.421 4.640 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H]1CCC1(C)C 694299195 QXNCLHOWCQCQJJ-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CCC[C@@H]2C[C@@H]21 694461884 QCMGPKVEQQFSLI-IKGGRYGDSA-N 297.552 4.871 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1CCCC[C@@H]1C1CC1 695835347 COQGZPKGPGHQHG-DOMZBBRYSA-N 274.795 4.592 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CCC)CCCNC1 696350342 XIKPFCKKMPQGLY-ROUUACIJSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCC[C@H](O)CNCC(C)(C)C 697417509 RXYFMROICGHKGO-INIZCTEOSA-N 271.489 4.514 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCc2cc(Cl)ccc21 701865896 WUXAOQGYGFGMLL-HNNXBMFYSA-N 263.812 4.519 30 10 CJEE CCCCCCCN[C@H](CC)c1ccc2c(c1)CCO2 703718210 SNDWSCLVAJGWDL-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(C)ccc1OC 703987514 BUJBQBCAWULCNS-HNNXBMFYSA-N 275.436 4.647 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)Sc1cccc(F)c1 704930351 BAGVDHSCRHUGAJ-KCPJHIHWSA-N 263.381 4.636 30 10 CJEE CCSC[C@@H](C)N(C)CCCCCCCCCS 707157579 XZZSHVGZFJLPLP-OAHLLOKOSA-N 291.570 4.720 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)c(C)c1 710632108 AKFCWHYULNNAQN-CQSZACIVSA-N 272.219 4.832 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CCCC(C)(C)O2)CC1 714383689 UIECJPCFZLXGBK-UPTPFMHGSA-N 280.452 4.756 30 10 CJEE C=CCCC(C)(C)NCc1cccc(C(F)(F)F)c1 717922382 VMWUWQWZYSQRAX-UHFFFAOYSA-N 271.326 4.540 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCC[C@H](CC)C2)CC1 724541655 BFVJNBAXZGQLJC-UAGQMJEPSA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCC(F)(F)C2)CC1 724595659 VBOOUCSERNICKG-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE CC(=NNc1cccc2ncccc12)[C@@H](C)c1ccccc1 746368965 KLDUKESBMAHAIR-CQSZACIVSA-N 289.382 4.826 30 10 CJEE CC(=NOCCC(F)(F)F)[C@H](C)C1CCCCC1 777460787 RBYGAZPDCQUSPG-JTQLQIEISA-N 265.319 4.548 30 10 CJEE C=C([C@@H](NCC)c1cccc(C(C)(C)C)c1)C(F)(F)F 821963155 HYYUIQFGUSNVHN-CQSZACIVSA-N 285.353 4.753 30 10 CJEE CC(=NOc1ccc(C(F)(F)F)cc1)c1ccccc1 1088728539 BDFUYPQOFPFPIL-UHFFFAOYSA-N 279.261 4.508 30 10 CJEE C=CCCC[C@@H](C)NC(=O)C[C@@H](C)c1ccc(CC)cc1 1127519380 JWZCMOILWPBKRC-HZPDHXFCSA-N 287.447 4.604 30 10 CJEE C=CCCC[C@@H](C)NCc1csc(-c2ccsc2)n1 1178305507 ZHZVVRONUCMHJH-GFCCVEGCSA-N 292.473 4.706 30 10 CJEE C#Cc1cccc(N(CCC2CCC2)Cc2ccccc2)c1 1192139398 DFQNCRLHWJXQSM-UHFFFAOYSA-N 289.422 4.865 30 10 CJEE C=CC[C@@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 1195946075 GCNPQOHYKKPQFL-QQNRWZHASA-N 275.823 4.641 30 10 CJEE C=CC[C@H](NC[C@H](C)CCc1ccccc1)c1ccncc1 1200562310 LMJGKNPDSMWNTM-XLIONFOSSA-N 294.442 4.557 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCCOC1 1258228768 KITCYKSGRJATBJ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1csc2cc(C)ccc12 1266594966 NSFWGGUIAVDDOP-ZDUSSCGKSA-N 287.428 4.684 30 10 CJEE C#CCCCCCCN1CCCC[C@@H]1CC1CCC1 1307950926 ALSGTPNQZKXKKI-GOSISDBHSA-N 261.453 4.615 30 10 CJEE C=CCC1(C(=O)NC[C@@H](CC)c2ccccc2)CCCCC1 1357314397 QKHWTEMNVJWEAN-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=C(C)C(C)(C)C(=O)N(CCCC)Cc1ccccc1F 1360705801 LENHSGSRPGRCMS-UHFFFAOYSA-N 291.410 4.557 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC[C@H]1c1ccc(C)cc1 1360804367 QJUHEVYGVGTLHZ-KRWDZBQOSA-N 285.431 4.651 30 10 CJEE C=CCCN[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 1459828324 SJVDQKVPUNQZDZ-HNNXBMFYSA-N 299.389 4.631 30 10 CJEE C=C(C)c1cccc(NCc2cc3ccccc3nc2O)c1 1461812347 PKSRBPWAFBBNFL-UHFFFAOYSA-N 290.366 4.586 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C(F)(F)F)c(Cl)n1 1472740483 LDDDNZLLABTQSW-VIFPVBQESA-N 292.732 4.911 30 10 CJEE C#CCCCCCCN1CCC(c2ccc(F)cc2)CC1 1473724439 CPYGKAPJLJKYMJ-UHFFFAOYSA-N 287.422 4.589 30 10 CJEE C=CC(C)(C)CCNC/C(C)=C\c1ccc(Cl)cc1 1474219293 YWRFDUOXSTUHBR-OWBHPGMISA-N 277.839 4.935 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2218641307 RKTFHKKPVFSPGK-IAQYHMDHSA-N 286.246 4.726 30 10 CJEE CC#CCCC[C@@H](NCCC)c1scc(C)c1C 2218823192 DUKIJTDYIAOWFH-OAHLLOKOSA-N 263.450 4.599 30 10 CJEE C=CCCCCCCC[C@H](N)C[C@H](C)C(F)(F)F 2220097686 PAROXNGCYWLPNR-STQMWFEESA-N 265.363 4.819 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CC[C@@H](C)C1 2220098576 XDUMCSIOYDWQCO-SJORKVTESA-N 251.458 4.881 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](F)C1CCC1 2220856904 RIFRLNZGPIDPBP-HOTGVXAUSA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1scnc1C 2222084823 FWZVQHZCGFMCQA-TZMCWYRMSA-N 268.470 4.851 30 10 CJEE C=C[C@H](N[C@@H](C)c1cc(C)cc(Cl)c1)C1CCC1 2222148715 PZOJROVXHSWLNX-LRDDRELGSA-N 263.812 4.654 30 10 CJEE C=C1CC(CO)(CC2CC(C)(C)CC(C)(C)C2)C1 2222278347 RWAKJZDVFMFYIK-UHFFFAOYSA-N 250.426 4.558 30 10 CJEE CCCCCCCCCOCC(=O)C1CCCC1 2223261211 WDGGLEORUIMRRJ-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1[C@H]2CCCC[C@H]21 2223867757 KBGVSHDCGLKIEF-NCOADZHNSA-N 251.458 4.904 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(Cl)cc1F 2225434280 QEENCFJGHWQGKS-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE C=CCCCCCCCCOC[C@@H](C)CNCCC 2225677099 SRZJULOYYBUZRH-KRWDZBQOSA-N 269.473 4.555 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1CCSc2ccc(Cl)cc21 2226334404 CMXPAWQULUWINZ-UKRRQHHQSA-N 293.863 4.514 30 10 CJEE C=CCCCCCCCN(C)Cc1ccc(F)cc1 2227289752 BHBWCKJAHUVRQP-UHFFFAOYSA-N 263.400 4.784 30 10 CJEE Cc1cc(Oc2cc(Cl)cc(C#N)c2)c(N)cc1Cl 2228669350 PBZIBABJYDESLB-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C#CCCCCC[C@@H](CCCC(F)(F)F)NCCC 2229865028 JNIVLOKITFMDJM-AWEZNQCLSA-N 277.374 4.671 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCC[C@H]1C(C)(C)C 2230508916 PXUROIXBJYXCIU-CVEARBPZSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCO[C@@H](C)CNC(C)(C)C 2231015714 RIJHDIKAKOSEKS-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@H](C)C(=O)C1 2231043336 YFOJHCGZZLWQOA-HOTGVXAUSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCCCOC[C@H](C)C(N)=S 2231074837 VLRZSOGDGZWZTP-HNNXBMFYSA-N 287.513 4.846 30 10 CJEE CC(C)(C)[C@@H](CS)COC1CCC(C(F)(F)F)CC1 2231397078 IZZUKCRGMKDBCL-MOENNCHZSA-N 298.414 4.716 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H]1CCCCC1(F)F 2231490264 IDFCRLDKJLRRTJ-DZGCQCFKSA-N 271.395 4.536 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C2CCC2)cc1 2231695757 CZPQILZQNOCTLG-GOSISDBHSA-N 257.421 4.961 30 10 CJEE CCCCCCCC[C@H](C)NC1C[C@@H](C)O[C@H](C)C1 2231934615 JXRQKYAWQGAUBY-ARFHVFGLSA-N 269.473 4.671 30 10 CJEE C=CC1(CC(=O)[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233607732 ZEDQDIYCBXLAAT-BTTYYORXSA-N 282.374 4.764 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H](C)c1ccc(CCCC)cc1 2234694912 JXFYUGQUNZYFKK-QFBILLFUSA-N 271.448 4.728 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](CCCC)c1ccc(F)cc1 2234701200 AVVOJIWSINRCPR-ROUUACIJSA-N 275.411 4.695 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)[C@@H](C)C(C)(C)C 2235522377 SZZPRHAGHXHEBD-IXDOHACOSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cccc(OC)c1 2235526669 NJDILWPCCDGYGI-GOSISDBHSA-N 276.420 4.819 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cc(F)ccc1Cl 2235538271 HKEMCQMXEINOJV-INIZCTEOSA-N 298.833 4.900 30 10 CJEE CC1(C)CC(C)(C[C@]2(C#N)CCOC23CCCCC3)C1 2236593822 CYXKJYCNAALKII-KRWDZBQOSA-N 275.436 4.836 30 10 CJEE CCCCCCC[C@H](NC)[C@H](O)c1sc(C)c(C)c1C 2236827781 SVELTNHNHBSWOZ-HOTGVXAUSA-N 297.508 4.655 30 10 CJEE CCCCCCCCOC[C@H]1CC[C@@H]1CNC(C)(C)C 2237262602 XWYXOBSGWKQBCJ-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(C#N)cc2F)c1 2238014987 IRGMDJKLSHSVPJ-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCN[C@@](C#N)(CC)CSCCCCCCCC1CC1 2239360388 UYLGGWHHPQRHSM-QGZVFWFLSA-N 296.524 4.752 30 10 CJEE CCCCCCCCCOCC(F)(F)CN[C@@H](C)CC 2239467551 JMZLFVYFPJLNDO-HNNXBMFYSA-N 293.442 4.777 30 10 CJEE CCCCCCCCCCOCC[C@H]1CC[C@H](C)CN1 2239485233 ZWTDOVRFWZGXLN-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC1(C)CC(C)(C)CC(N)(C#Cc2ccc(Cl)cc2)C1 2239566848 MTOCVCBQXYRXFM-UHFFFAOYSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@](C)(OC[C@@H]1CC1(C)C)C(=O)O 2240612309 BYQSKUNCMZOOJL-YOEHRIQHSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(N)c1sccc1CC 2248005184 UUBXSMWMLQYNHN-HNNXBMFYSA-N 253.455 4.845 30 10 CJEE CCC(CC)[C@H](C)Nc1c(Br)cccc1C#N 2248979450 RXEZTZZWEMMCPJ-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C=CCCCCCCCS[C@H]1CCC[C@H]1C#N 2250062288 OQNZZIMJHSXUMB-GJZGRUSLSA-N 251.439 4.938 30 10 CJEE C=C(C)CCCC[C@H](O)c1cccc(C)c1Br 2250159459 QOFGNGOSYCSTEY-AWEZNQCLSA-N 297.236 4.927 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(Br)c(C)c1 2250181049 IKMYCHVVLBVULE-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE C=C[C@@H](C)CCN[C@H](CC)c1cccc(Br)c1 2250902415 STSHDOBHXRYPPO-IUODEOHRSA-N 296.252 4.702 30 10 CJEE C=C(C)CCCCNC[C@H]1CC[C@H](CCC)CC1 2259236251 ZMNVNJMPXHEZSJ-QAQDUYKDSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1c(Cl)cccc1Cl 2259236974 IXAHBSJSTZHRDK-CYBMUJFWSA-N 287.234 4.634 30 10 CJEE C=CCC[C@H](C)NCc1sc(C(F)(F)F)cc1C 2263446818 RRZFLMQOYKKGEO-JTQLQIEISA-N 277.355 4.520 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)[C@H](C)OC 2263719161 YPEKTBANOONPBR-PMPSAXMXSA-N 257.462 4.529 30 10 CJEE CC(C)(C)C(Nc1cccc(F)c1C#N)C(C)(C)C 2266828632 VJKLARISSWSIJM-UHFFFAOYSA-N 262.372 4.570 30 10 CJEE N#Cc1ccc(CSCC2CC3(CCC3)C2)cc1F 2268490668 OKWQAIWUBRGZAC-UHFFFAOYSA-N 275.392 4.511 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(C)sc1C 2268760371 DMBQSQUYJMKWNF-MRXNPFEDSA-N 275.461 4.621 30 10 CJEE CCCCCCCCCCC(=O)[C@@](C)(N)CC(C)C 2270015374 SUIDBEGSCSVXNE-KRWDZBQOSA-N 269.473 4.850 30 10 CJEE C=CCCCS[C@H]1CCCC2(CCC2)[C@@H]1NCCC 2271484587 FGQGFAAGFOBNOO-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE C=CCCCCCCCSc1ccc([C@@H](C)O)cn1 2271594929 RXSVJHAZWNTPBU-CQSZACIVSA-N 279.449 4.754 30 10 CJEE C=CCCCCC[C@H](NCC)c1csc(C)c1OC 2271706714 LLAVIPHQGBXDNZ-HNNXBMFYSA-N 281.465 4.852 30 10 CJEE CCCCCC#CC[C@H](NC)[C@]12CCCC[C@H]1CC2 2273312217 ABGKDIMIUAQKOX-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@H](NCC)[C@@]12CCCC[C@H]1CC2 2273325901 JEJZKIXPVFEXPN-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CC1(CSc2ccc(C#N)c3ccccc23)CCC1 2274610027 GZQPUXJUVLFGIZ-UHFFFAOYSA-N 267.397 4.994 30 10 CJEE CC=C(CC)C(=O)[C@](C)(O)CCCCCCCCC 2278178912 SQIAVYGJFITTHI-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ocnc1C 2278228048 DKKJPRFJHLHCRD-CQSZACIVSA-N 266.429 4.602 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@H]1CC(F)(F)C12CCC2 2280869913 LXWRNRYEPKVOFT-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE CCCCCCCCCCOc1cccc(CCO)c1 2283645488 NRYZYRGCIDADSD-UHFFFAOYSA-N 278.436 4.741 30 10 CJEE C=CCC1(n2c(S)nc3cc(CF)ccc32)CCCC1 2283733839 IHWPXMOQRNMGDG-UHFFFAOYSA-N 290.407 4.640 30 10 CJEE CC[C@](C#N)(CCCSC[C@H]1CC[C@@H](C)C1)NC(C)C 2284037827 HHJSRJJKIOSJIR-IXDOHACOSA-N 296.524 4.606 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@]1(C)CCCS1 2284086341 PKGVCROYHJZCQF-FUHWJXTLSA-N 293.520 4.636 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CS[C@H](C)CC 2284113792 UXIOLCCDEIBJQW-SJORKVTESA-N 295.536 4.882 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC(C)(C)C1CC1 2284161492 ZMUFUXFIHGMOCA-KRWDZBQOSA-N 275.480 4.787 30 10 CJEE Cc1sc(CN(C)CC=CC#CC(C)(C)C)c(C)c1C 2284180499 UTVDMXFEIGGBIV-UHFFFAOYSA-N 289.488 4.711 30 10 CJEE CC(C)CCN(CC=CC#CC(C)(C)C)C1CCCC1 2284183915 YUIDRQFABIEQJM-UHFFFAOYSA-N 275.480 4.883 30 10 CJEE C[C@H]1C[C@@H]1CCCCCC1(C=O)Cc2ccccc2C1 2284922904 BSKHOUZRTMSCJD-HOTGVXAUSA-N 270.416 4.577 30 10 CJEE C=CCCC[C@H](C)NCCCN(CCCC)CCCC 2286801162 RKHVACWCUGESMA-SFHVURJKSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCSC[C@H](O)c1ccccc1N 2287097727 ZAENEORIVVABFU-KRWDZBQOSA-N 293.476 4.562 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H](CC(C)(C)C)OC)C1 2287230734 MJGHLKSTYJMKDQ-FPCVCCKLSA-N 297.508 4.889 30 10 CJEE C=C(C)CCCC[C@@]1(CNC(C)C)C[C@H](OC)C1(C)C 2287468256 RXXBLSQHYXXNDX-WMZOPIPTSA-N 281.484 4.552 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@H](C2CC2)CCS1 2287882539 BXNHLTMETNACCE-ZBFHGGJFSA-N 296.524 4.700 30 10 CJEE CN[C@@H](C#CC1CCCCC1)[C@@H]1CCCCC12CCC2 2289710623 IHYXNJZMPNKIHB-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CC12CCCC2 2289860724 XZWRQZFSQNGGBG-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC1(C)Cc2ccc(C(=O)C=C3CCCCC3)cc2C1 2290149399 DJXIWVWJVQUHAL-UHFFFAOYSA-N 268.400 4.885 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@@H]1CC)OCC(=O)O 2292184038 JPSWYFRKGCSKCA-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@](CC)(CCC(F)(F)F)OCCN 2292780490 YBROSUNSOHAXQL-CQSZACIVSA-N 295.389 4.590 30 10 CJEE C=C(C)CCCC[C@](CCC)(OCCCN)C1CCC1 2292782964 WEAVYGDVAKNGPY-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@](CC)(OCCN)C1CCCCC1 2292902741 LMYPYPPZKCIGFF-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1cscn1 2293732607 YNKUWFPPVUVJRO-INIZCTEOSA-N 298.496 4.690 30 10 CJEE CCOc1ccccc1C=CC(=O)c1ccc(CC)cc1 2294300109 SMAQXNKMVNRRCM-UHFFFAOYSA-N 280.367 4.544 30 10 CJEE N#C[C@@]1(c2ccc3cccc(Cl)c3n2)CCC12CCC2 2294976116 GLTFMYLUOIQRSW-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCC[C@H](C)C1 2295521389 ATSFEQFKZODXTD-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CC)CCCC 2295523515 ZTCWOJGTTAMUFF-GOSISDBHSA-N 284.532 4.967 30 10 CJEE CCCCCCCCC[C@H](C)NCC(CC)(CC)CO 2295668295 GTZXBTGGLQIBRC-KRWDZBQOSA-N 285.516 4.904 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)[C@@H](C)C(C)C 2295679726 RZFDXLAJTZFXBR-KSZLIROESA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@@H](C)N=c1[nH][nH]c2ccccc12 2296370746 WHIPNQZJOQCIIM-CQSZACIVSA-N 273.424 4.536 30 10 CJEE C=C(C)CCCNCc1ccc(Cl)c(Cl)c1C 2301015310 NGPWSGLZIFOXNP-UHFFFAOYSA-N 272.219 4.748 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccccc1Br 2304057457 DFMKWCDMCPKPBW-HUUCEWRRSA-N 296.252 4.702 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(CCC)s1 2304061601 GRMMJSIXYNJTAI-LSDHHAIUSA-N 251.439 4.693 30 10 CJEE C=CCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2306224142 NJJLWAXFIISZAQ-CYBMUJFWSA-N 276.182 4.749 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2CC[C@H]1C2 2312624043 NONXHMXWBQWGCH-YVSFHVDLSA-N 251.458 4.904 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)CC[C@H](C)C2)c1Cl 2317097809 UGBZGGFGCDDUQP-ZUZCIYMTSA-N 265.759 4.660 30 10 CJEE CC(C)=CCC[C@@H](C)Oc1cccc(Cl)c1C#N 2319102652 UHGLJTTZKVVWRZ-GFCCVEGCSA-N 263.768 4.725 30 10 CJEE CC1(C)CC[C@H](COCC2(CS)CCCCC2)C1 2319172425 XQBCMXHMQNWVEQ-AWEZNQCLSA-N 270.482 4.710 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc2sccc2c1 2321134951 RGKCJYKBTZLNPS-OAHLLOKOSA-N 259.418 4.764 30 10 CJEE CC1(C)CC(CS)(COC2CCCCCCC2)C1 2321709833 HTMQFLQTFJCVTE-UHFFFAOYSA-N 270.482 4.852 30 10 CJEE CCCCCCCC[C@@H](N)CCCOC(C)(C)C 2321953855 LYEPMDKCPCFUAJ-OAHLLOKOSA-N 257.462 4.660 30 10 CJEE CC[C@@H](OC[C@@H](CS)CC(C)C)c1ccccc1 2328524187 XQHDGJCHAKCMNI-GOEBONIOSA-N 266.450 4.746 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NCCC 2328642149 JWZQDYZJFZKRLZ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1COCC1(C)C 2339082245 KVUSDYNFAXEJGI-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE Cc1ccc(C#N)c(OCc2cccc(Cl)c2Cl)c1 2339304780 VYCPQOIEOYORCN-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCC1CCC(C=O)(CC[C@H]2CC[C@H]2C2CC2)CC1 2342384662 VSILOBBMBAKPMA-MKFDVMFOSA-N 262.437 4.988 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C)[Si](C)(C)C 2343076647 VDRKNLFTTOEHOZ-PMPSAXMXSA-N 281.560 4.861 30 10 CJEE CC1=C(C)C[C@@H](C[C@](C)(C#N)c2ccccc2)CC1 2343383274 DRIFNANEOPVELQ-FUHWJXTLSA-N 253.389 4.994 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)NC 2344382734 YPVCPMZLWZEFSR-RZFLPCETSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC(=O)c1ccnn1C(F)F 2344676940 IKEVWIINONLWQR-UHFFFAOYSA-N 272.339 4.602 30 10 CJEE CCCCCCCC[C@](C)(N)C1CC2(CC(F)C2)C1 2344736139 GEIVUFZWWAEUIL-PYCMUAIMSA-N 269.448 4.983 30 10 CJEE CC[C@](C)(CN(C)C[C@](C)(CS)C(C)(C)C)C(F)F 2352068930 OZYRRFRTSCLBLN-HUUCEWRRSA-N 295.483 4.582 30 10 CJEE Cc1cc(C)cc(C2(C#N)CC(C)(C(C)(C)C)C2)c1 2352115291 FRNYNLJUCRVACA-UHFFFAOYSA-N 255.405 4.911 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1ccccc1C 2352320641 RGDIOEXTZZJNIC-KRWDZBQOSA-N 279.493 4.804 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCc2ccccc21 2357826602 KSIICKQFPNVLIV-LNLFQRSKSA-N 265.400 4.611 30 10 CJEE CC1(C)[C@H]2CC[C@H](CNc3ccc(C#N)cc3Cl)[C@@H]1C2 2359518021 VWYPPNNOTPFDLO-RDBSUJKOSA-N 288.822 4.696 30 10 CJEE C=CC[C@H](C)Sc1cc(NCCC)c(C)cc1[N+](=O)[O-] 2360340928 TWKVBOOTSZLCFU-LBPRGKRZSA-N 294.420 4.782 30 10 CJEE CN(Cc1cccs1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 35717339 ZKFWAAKFXGNCBX-SQWLQELKSA-N 290.476 4.534 30 10 CJEE N#Cc1ccc(Nc2ccccc2Cl)cc1C(F)(F)F 37306385 RQLKSBNPUUXWMD-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE N#C[C@@H]1CCCC[C@H]1c1cccc(Cl)c1Cl 62625247 SSHPBTOSZQNEQT-VHSXEESVSA-N 254.160 4.791 30 10 CJEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1O[C@@H](C)CC 66117838 LWQOAGCLSGCQGQ-KBPBESRZSA-N 274.404 4.918 30 10 CJEE O=C1C=C(c2ccc(C3CCCCC3)cc2)CCC1 75865234 NOPNBORRUKPTAS-UHFFFAOYSA-N 254.373 4.871 30 10 CJEE CC[C@@H]1CC[C@@H](c2nc(-c3cccc(C#N)c3)cs2)C1 88041353 OCPPMTKTUWPRGK-IUODEOHRSA-N 282.412 4.975 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)cc(Cl)c2)CCCCCC1 91884121 WRBISKLXBMKJCS-CQSZACIVSA-N 298.213 4.891 30 10 CJEE CCC[C@H](CS)COc1cc(C(C)C)ccc1C 94585476 NKMGJMIFTTXQQF-AWEZNQCLSA-N 266.450 4.843 30 10 CJEE CCCC(CS)(CCC)CSc1ccccn1 94589119 FUYICSCRZNOZAS-UHFFFAOYSA-N 269.479 4.690 30 10 CJEE CCCCCCC(=O)[C@@H](C#N)c1cccc(Cl)c1F 97469520 QIHXCNOYVQECSC-LBPRGKRZSA-N 281.758 4.626 30 10 CJEE Cc1cc(Br)c2oc(C#N)c(CC(C)C)c2c1 104004487 MMOVSZWNJZTXDA-UHFFFAOYSA-N 292.176 4.574 30 10 CJEE CCCCCCC[C@@H](NCC)c1nc2c(s1)CCC2 104442692 DBGBXGQTJLZFET-CQSZACIVSA-N 280.481 4.643 30 10 CJEE CCCCCCCCCCNCc1ccc(N(C)C)cc1 105840070 DYFSICIAXNYUJF-UHFFFAOYSA-N 290.495 4.983 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccc(C)cc1 110081575 ASUUFFZSXHDJMF-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCC[C@H](CC)CN(CCC#N)c1ccccc1 110246635 RTIVFAMULQKNBW-INIZCTEOSA-N 258.409 4.623 30 10 CJEE CCCCN(c1cc(Cl)ccc1C#N)[C@@H](C)CC 110256527 OWDVMCAXIWYLFQ-LBPRGKRZSA-N 264.800 4.617 30 10 CJEE N#Cc1cc(Cl)ccc1N1CCC2(CCCCC2)CC1 110258314 AKIMKTWLQNKAOH-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE CCC1(C)CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 110258718 LDMCPAUQGVQCLK-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccsc1 115066116 ZJCKIQRLDHODHC-HNNXBMFYSA-N 254.439 4.792 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1ccn(C)n1 115689152 KTVXCZDRNSCBDJ-MRXNPFEDSA-N 279.472 4.731 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)N[C@H]1c1ccccc1 116764889 LGVBZJHXPKPUNB-ROUUACIJSA-N 273.420 4.614 30 10 CJEE CCCCCCCCCCC(=O)C1(N(C)C)CCCC1 118172513 IYRSUHAGAQMDRV-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCC[C@H](CCc1ccc(C)cc1)NN 122362836 XVOBDVRYBAIVNA-GOSISDBHSA-N 276.468 4.510 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2cccc(C)c2o1 124982475 WKXITUUYKLQRRG-INIZCTEOSA-N 288.435 4.996 30 10 CJEE Cc1cc(Nc2ccccc2C(F)(F)F)ccc1C#N 126810293 KBYMWBSLOLCMAP-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](CCC)OC 126987507 SXMVSSYZAIKYCZ-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H](C[C@H](CC)CCCC)NN 128791777 FFNQJUFNTKEPDA-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCNc1cc(C#N)ccn1 129331846 YLDWUHAEPBIIJR-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1nccs1 132055968 LZZGCBBHFSOKNW-HNNXBMFYSA-N 283.481 4.967 30 10 CJEE CCCCCCCCC[C@@H](CCOCCC)NCC 139436191 FQKKCJJAFWXSMP-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 156141750 TXCANJMSSVSDTD-IXDOHACOSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H]1CC(C)(C)CC[C@H]1CNCCC 156287844 DUCYGKCQDGLUOV-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1ccc(C(C)C)cc1 158811569 KJRWPCVKJUNYMB-SFHVURJKSA-N 259.437 4.543 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)cc1F 162181665 JKCZHWMWFVSYCT-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCCC(=O)c1cnc2ccccc2c1 164163595 MVKLMWZXJSVPCO-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCCS1 166537185 JKKLKZMLBQKUNT-OAHLLOKOSA-N 272.454 4.868 30 10 CJEE CCCCCCCCCC(=O)CCCCCCN 167049664 GEOZRRIHSCAVGW-UHFFFAOYSA-N 255.446 4.605 30 10 CJEE Cc1cccc(C#N)c1N[C@@H](C)c1ccc(Cl)cc1 221027876 JRFMTGBQSZXGKM-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#Cc1ccccc1Nc1nc(Cl)c(Cl)cc1Cl 226488853 OEILDHOOQPMFJZ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCc1cc([C@@H](N)CCC)on1 229871903 FEOSPOHVTRXMID-HNNXBMFYSA-N 266.429 4.768 30 10 CJEE C=CCCCCC[C@@H]1CCC[C@@H]1CNC(C)(C)C 232506451 LDRRWOYGNHORQM-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCC(CS)(CCC)CSc1nc(C)co1 232904090 IVZIPRPBJJRDPT-UHFFFAOYSA-N 273.467 4.592 30 10 CJEE CCCCCCCCCc1cccc2c1CNCC2 232958273 NDEZFIACIQJBMT-UHFFFAOYSA-N 259.437 4.625 30 10 CJEE CCSc1cccc(NC[C@H]2CCC[C@H](C)C2)c1C#N 233872268 QXGIDKIGRKPRES-KBPBESRZSA-N 288.460 4.908 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC 233937173 REXAQWDVTJTKOH-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(C)c1Cl 235810618 VOGKZDHHUREYSE-CQSZACIVSA-N 252.785 4.818 30 10 CJEE CCCCCCO[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 249859051 VESVBRFEDFSWJH-HRCADAONSA-N 251.414 4.692 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCCC 250739752 CTBXTDLILRWKGM-OWCLPIDISA-N 251.458 4.641 30 10 CJEE CCCCC[C@H](N[C@H]1CCC[C@H]1C#N)c1ccccc1 250818143 JVMYFLHDHRNHTE-BZSNNMDCSA-N 270.420 4.590 30 10 CJEE CSc1cc([C@@H](C)CC=O)cc(SC)c1SC 258546123 MWCNYPXMIQZQAF-VIFPVBQESA-N 286.487 4.545 30 10 CJEE N#CC1(Sc2ccc(Cl)c(Cl)c2)CCC1 259133266 DBZAHYJKCFOYAA-UHFFFAOYSA-N 258.173 4.532 30 10 CJEE Cc1cccc(Nc2cc(Cl)ccc2C#N)c1Cl 305987324 ISOLUPGQXNVQMM-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE Cc1ccc(C#N)c(N(CC(C)C)c2ccccc2)c1 312443394 NHYPZHUJCMEUPL-UHFFFAOYSA-N 264.372 4.661 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCOC[C@H]1C 312530359 HIPIOYBPXZNQMT-KURKYZTESA-N 283.500 4.778 30 10 CJEE CCNC[C@]1(CC#CC(C)(C)C)CCC[C@@H](CC)C1 317266882 NFHDSHIUJRZRRG-AEFFLSMTSA-N 263.469 4.622 30 10 CJEE C=CCCC1(CNC(C)(C)C)CCC(C)(C)CC1 317898004 RNNGHWYDPTTXDY-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@H](NN)C(C1CCC1)C1CCC1 383700437 AVXMTYOHQOUPME-KRWDZBQOSA-N 280.500 4.785 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2c(Cl)cccc2Cl)O1 383787184 QJHFNQRWSQELPU-YPMHNXCESA-N 270.159 4.517 30 10 CJEE C=CC[C@H](CC)NCc1cccc(OCc2ccccc2)c1 394440444 QWYVTYYJDKRDQN-IBGZPJMESA-N 295.426 4.710 30 10 CJEE CCCCCCCCCCN1CCC(CC(N)=S)CC1 397248732 BEKBOOJGIKRVED-UHFFFAOYSA-N 298.540 4.515 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@H](C#N)C(C)(C)C 397496486 QPGPRKUYFYCDMM-OLZOCXBDSA-N 278.827 4.519 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)Cc1ccc(Cl)cc1 398145466 BNUPIZVOGVIYJD-KGLIPLIRSA-N 265.828 4.605 30 10 CJEE CCCCCCC[C@H](C[C@@H](CC)CC(F)(F)F)NN 402476048 LVIDCYLJSUPKIW-CHWSQXEVSA-N 282.394 4.548 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H](CC)CC(F)(F)F 402690706 BWSVOCXUYZFITG-UONOGXRCSA-N 291.401 4.773 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2ccc(C)cc2)o1 538170377 AMOVTOFKMAEYAR-CYBMUJFWSA-N 288.416 4.882 30 10 CJEE C=CCC(CC=C)C(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 561274561 FGGXWMFRFJTTAB-LPHOPBHVSA-N 297.442 4.755 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](CC)c1ccc(C)cc1 620310053 VNMHYMSDSLDXBW-QRQLOZEOSA-N 297.442 4.588 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccc(C)cc21 692215696 RVDGSABMEJKULI-NEWSRXKRSA-N 269.432 4.707 30 10 CJEE CCCCCCCCCN[C@H]1CCCSCC1 692503512 XBPXOHOIRLUPSK-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CC(C)(C#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 693064494 INGYKEIICAMDQC-UHFFFAOYSA-N 295.226 4.816 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc2cscc2s1 694395760 DDWBNIZHNLGJAO-LBPRGKRZSA-N 277.458 4.663 30 10 CJEE C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(Cl)cc1C#N 695702673 AMSBTIQNFQTFKC-SMDDNHRTSA-N 276.811 4.838 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc2cnccc12 702844908 GMGNRQFYVHJMEO-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE CCCCCCCCCC[C@](C)(N)[C@H]1C[C@H]2CC[C@H]1O2 707609412 UZLVYGAJSWMPCL-XDNAFOTISA-N 281.484 4.802 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 709115580 CUXYOWGQSCXEDF-MNOVXSKESA-N 295.785 4.728 30 10 CJEE C#CCCC[C@H](NCCC)c1cccc(C(C)(C)C)c1 709514075 XPVVAWOMPGQTFK-SFHVURJKSA-N 271.448 4.828 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(Cl)c1 710565300 DJQINEOEMWPWCV-CYBMUJFWSA-N 258.192 4.523 30 10 CJEE C=CCC(C)(C)COCc1cc(CNCC(C)C)cs1 711373010 MXJVTAPXUDYFCH-UHFFFAOYSA-N 295.492 4.613 30 10 CJEE C=CC[C@@H](C)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 715730185 ANLVTZDKNRKTAL-PRHODGIISA-N 277.717 4.571 30 10 CJEE CCC[C@@H]1CCS/C(=N/[C@H](C)CC2CCCCC2)N1 716943631 LOWGLCSQKPFYFJ-UKRRQHHQSA-N 282.497 4.597 30 10 CJEE C=CCCCCC[C@]1(C(=O)O)CCC=CCCC1 719107501 WDICOXUTSNKLJQ-INIZCTEOSA-N 250.382 4.714 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCC3(CC3)C2)CC1 723585542 HWBBHFPJSQSXPJ-VJFUWPCTSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@@]1(C#N)C[C@H](C)O[C@H](C)C1 724273271 YZTCBHHNXOKXFW-ZSHCYNCHSA-N 251.414 4.834 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2C[C@H]3CC[C@H]2C3)CC1 724587829 CAAQXWPBZCAQSG-XSLAGTTESA-N 261.453 4.537 30 10 CJEE CSc1cc2c(C(F)(F)F)cc(CC#N)cc2s1 725316278 OGEHNEHOVXPFIN-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCCC[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 1124227965 YOCXRXHPIAMNGU-GOSISDBHSA-N 297.373 4.904 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1124476524 QMLAHPMZKUPNSH-HXUWFJFHSA-N 291.394 4.799 30 10 CJEE C=C[C@](C)(CC)C(=O)N(Cc1cccc(C)c1)CC(C)C 1124847622 RPCHQGQTCZAOPS-LJQANCHMSA-N 287.447 4.582 30 10 CJEE C=CC(C)(C)CC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 1127281205 BLZSMATZZQROFR-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1cc(Cl)ccc1F 1127669618 MMOQNPQOUIQYFD-JTQLQIEISA-N 284.758 4.686 30 10 CJEE CC#CC(=O)N[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C 1141376343 HWSPRQUHARZBJR-HXUWFJFHSA-N 297.442 4.571 30 10 CJEE C#CCCCCCCNc1ccc(CSCC)cc1 1181828478 UFUYVTBTKKALIC-UHFFFAOYSA-N 275.461 4.935 30 10 CJEE C=C(C)CONC(=O)Nc1ccc(C(C)C)cc1C(C)C 1214423778 FQWHEJVWMISQQF-UHFFFAOYSA-N 290.407 4.563 30 10 CJEE C=C(CC)CN1CC2(CCCC2)[C@H]1c1ccccc1 1307823849 NAMLDLILYYORDU-QGZVFWFLSA-N 255.405 4.570 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1ccc(F)cc1 1307856035 CJVQGSLWGUJOJK-GOSISDBHSA-N 275.411 4.579 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc(Cl)c(Cl)c1 1350596275 MYXKUZCYAAINRB-ZDUSSCGKSA-N 273.159 4.501 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1C(C)(C)C 1350934497 FJULZQKCRHOYJT-ZDUSSCGKSA-N 259.393 4.525 30 10 CJEE C#CCCCCCC(=O)NCC1CCC(CCCC)CC1 1351439783 RAFSUHGCGDJEAF-UHFFFAOYSA-N 291.479 4.683 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2cc(Cl)ccc2F)CC1 1435736920 IXBMSQLKNYDXBL-NSHDSACASA-N 296.769 4.830 30 10 CJEE C#CCCCCCCN1CCC[C@@](C)(c2ccccc2)C1 1473158247 UFOAAQLVPOQXEP-HXUWFJFHSA-N 283.459 4.624 30 10 CJEE C=CCCC1(CN[C@H]2CCC[C@H](SC)C2)CCCC1 1474207805 GJRPJRKFNDSIDW-HOTGVXAUSA-N 281.509 4.777 30 10 CJEE C=CC1CCN(Cc2ccc(Cl)c(C)c2Cl)CC1 1474311372 JRWSWKPIHWTCOA-UHFFFAOYSA-N 284.230 4.700 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cc(C)c(F)cc1Cl 1476569850 LOLMVATZHLTWEW-UHFFFAOYSA-N 298.789 4.608 30 10 CJEE C#CCCCCC(=O)N(CC(C)C)c1ccc(Cl)cc1 1534991463 HSOUKKWGLLCTRJ-UHFFFAOYSA-N 291.822 4.523 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CCC)c1ccc(F)cc1F 1544608024 QWYLZMYKABPVAV-BLLLJJGKSA-N 295.373 4.525 30 10 CJEE C=C1CCN([C@H](CC)c2ccc(Br)cc2)CC1 1559526205 ONDIDKQJFPCZAX-OAHLLOKOSA-N 294.236 4.552 30 10 CJEE C#CCCCCCCN1CC[C@H](C)C[C@H]1c1ccco1 1559563213 QRCLZBRLSDDBHZ-IRXDYDNUSA-N 273.420 4.636 30 10 CJEE C#CCC1(NCc2cccc(C(C)(C)C)c2)CCCCC1 1560170282 DSTWTGRGJIEYLQ-UHFFFAOYSA-N 283.459 4.800 30 10 CJEE C=CCC1(NCCc2cc(C)cc(C)c2)CCCCC1 1560833136 WZIQPSHFJJJMNB-UHFFFAOYSA-N 271.448 4.715 30 10 CJEE C=CCCC1(CNC[C@@H]2C[C@@H]2c2ccccc2)CCCC1 1560929104 MXWDGTHJNVWPGE-RBUKOAKNSA-N 283.459 4.906 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@H]1Cc1ccccc1 1560996749 BHGMJFBGDBNLMH-OALUTQOASA-N 285.475 4.980 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)Cc2ccccc2C)CCCC1 1586371967 SPFUISUXACKTFS-QGZVFWFLSA-N 299.458 4.569 30 10 CJEE C=CC[C@H](C)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 1617859844 IVEZMTJZFRHQBE-ZFWWWQNUSA-N 297.364 4.849 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(CC)s1 1620967540 MAWJDBGMKLZAMA-INIZCTEOSA-N 285.456 4.588 30 10 CJEE N#Cc1cnc(N[C@H]2CCCC23CCCCC3)c(Cl)c1 1640152982 VDSBTICREURYGF-AWEZNQCLSA-N 289.810 4.522 30 10 CJEE C=CCCCCNC1(c2ccc(Cl)c(Cl)c2)CC1 1642865506 IXZUCYWGGRFIMS-UHFFFAOYSA-N 284.230 4.928 30 10 CJEE C=CCCCN[C@](C)(Cc1ccc(Cl)cc1)C(C)C 1643205411 LEYCMSMCJIHIDC-QGZVFWFLSA-N 279.855 4.853 30 10 CJEE N#Cc1ccc(OCCSC2CCCCC2)c(Cl)c1 1656154198 AXPUDMLIFDXTHL-UHFFFAOYSA-N 295.835 4.656 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCCC=C)c1ccc(F)cc1 1658186502 RMOBKBXNXLDLIM-MAUKXSAKSA-N 273.395 4.615 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H](CC)CC(F)F 1658520141 CPJDQOAKUDJEQN-HNNXBMFYSA-N 281.390 4.746 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccccc1 1658806812 SHMVMTYXLDTYLR-JQHSSLGASA-N 257.421 4.862 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc(OC)c1OC 1660003726 OQUJMIIYOUALIN-AWEZNQCLSA-N 277.408 4.641 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(OCCC)c(C)c1 1663203474 DDMTUZFDFGDQGZ-UHFFFAOYSA-N 289.463 4.866 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1C(C)=CCC[C@H]1C 1664123116 TZVGZDKZTQAEFP-NVXWUHKLSA-N 275.461 4.729 30 10 CJEE C#C[C@@H](NCc1ccc2oc3ccccc3c2c1)C(C)(C)C 1664891950 MQFOSMURKMFGHS-LJQANCHMSA-N 291.394 4.724 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1 1665184469 PHZIEAZJRZWAFC-KBPBESRZSA-N 286.419 4.666 30 10 CJEE CCCC[C@](C=O)(CC)C1CC(c2ccccc2)C1 1875759889 TYEYSNSVSZXSTR-ABHNRTSZSA-N 258.405 4.966 30 10 CJEE N#C[C@]1(C[C@@H]2CC23CCC(F)(F)CC3)CCCSC1 1879882319 HFLTUHMAECSFKP-CHWSQXEVSA-N 285.403 4.629 30 10 CJEE C=CCCN(CCCC1CCC1)Cc1ccccc1 1880996196 ZHCIIAGWFYTVFW-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=CCN(Cc1ccccc1)[C@H]1CCC12CCCCC2 1883398422 IVSIPGSLGQPKJG-SFHVURJKSA-N 269.432 4.788 30 10 CJEE CCCCCCCCCCN1CCO[C@@H](CCC)C1 1883858612 QCFCNNNDLJUIEQ-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)sc1C 1903198482 FNMCHBANHGWXQL-OLZOCXBDSA-N 258.814 4.736 30 10 CJEE CC(C)C[C@H](CS)CSC[C@@H]1CC[C@H](C)C1 1905524856 BXIZAHHSQJQMKL-BFHYXJOUSA-N 260.512 4.748 30 10 CJEE C=CCCCCCOc1ccc(C=CC(=O)O)cc1Cl 1912137104 UEEJDDOZPXMVSB-UHFFFAOYSA-N 294.778 4.563 30 10 CJEE C=CCN(Cc1ccccc1)c1ccc(C#N)c2ccccc12 1914541043 ZQUKQMODOMWNCZ-UHFFFAOYSA-N 298.389 4.904 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc(Cl)cc1C=O 1914552271 YBYPMCOQMWLCJX-UHFFFAOYSA-N 299.801 4.735 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@H]1CCC2(CCCC2)C1 1916482448 BPBVCBVHGFVFCD-ZDUSSCGKSA-N 288.822 4.761 30 10 CJEE CCCCCCCCC[C@]1(F)CCC[C@@]12CCNC2 1918286645 CZLYZSGNNITODD-IRXDYDNUSA-N 269.448 4.999 30 10 CJEE CCCCCC[C@](C)(O)[C@]1(C#N)CCC[C@H](CC)C1 1921120512 QJROCLPJSRDLCW-YESZJQIVSA-N 265.441 4.818 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@]12CCCC[C@H]1CCC2 1922077451 NUOSZHUMIHDLGY-ICSRJNTNSA-N 298.426 4.689 30 10 CJEE C=C(COCc1ccccc1)[C@H](N)CCCCCCCC 1922111606 IHHKZEXMEMJVSM-LJQANCHMSA-N 289.463 4.837 30 10 CJEE C=C([C@@H](NCC)[C@@H](CCC)CC(C)C)[Si](C)(C)C 1922866711 AVOMLWWZMOFRDB-JKSUJKDBSA-N 269.549 4.861 30 10 CJEE CC1(C)OB(C=Cc2ccc(Cl)cc2Cl)OC1(C)C 1927730056 BQPAIKROWPAQKR-UHFFFAOYSA-N 299.006 4.638 30 10 CJEE CC[C@H](C)N(Cc1ccccc1)[C@@H](CC#N)c1ccccc1 1927742210 KVSQJDYUTSAHKP-PXNSSMCTSA-N 292.426 4.942 30 10 CJEE C=C(COCc1ccccc1)[C@]1(N)C[C@@H](C)CCC1=C(C)C 1933940162 IYDDAWDWKQKTIA-OXJNMPFZSA-N 299.458 4.613 30 10 CJEE Cc1cscc1CC1(C=O)CCCCCCC1 1941470656 SXLQCFCMELAAOP-UHFFFAOYSA-N 250.407 4.529 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cscc1CC 1948003711 KXWFUDBBYWFEKC-OAHLLOKOSA-N 251.439 4.708 30 10 CJEE CCCCCCCCCCCC(C)(C)C[C@H](N)C(=O)O 1952420658 ITTWUMGOAPOLDN-HNNXBMFYSA-N 285.472 4.736 30 10 CJEE CCC(F)(F)CCSc1ccc(C#N)cc1Cl 1971058032 PSBSJKQLBJQXGT-UHFFFAOYSA-N 275.751 4.739 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1 1973613853 QFUIESJHNIIGEM-BTTYYORXSA-N 288.822 4.982 30 10 CJEE C=CC1(CCc2cc(Br)ccc2F)CCC1 1980007445 XBGGTPCUSWTTRL-UHFFFAOYSA-N 283.184 4.877 30 10 CJEE CCCCCCC[C@](C)(O)CC[C@H](C)C(F)F 1996072213 KVGXPTZVMIRQTE-JSGCOSHPSA-N 250.373 4.779 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc2sc(C)cc2s1 1996462764 FHTJSCGTJQSMQD-XPTSAGLGSA-N 266.431 4.907 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cc(C)ccc1Br 1996470396 MDSUJELKKSXDGT-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=CC1(C[C@H](O)c2c(Cl)cccc2Cl)CCC1 2002628932 XLTWBZIMTHUXCY-LBPRGKRZSA-N 271.187 4.773 30 10 CJEE C=CCCCC[C@H](O)c1cc(C)c(Br)c(C)c1 2009528153 FJJFAVZHNRIKIR-AWEZNQCLSA-N 297.236 4.846 30 10 CJEE CC(F)(F)CCCC1(C#N)CCC(F)(F)CC1 2012784923 IGNGYQVPTTYGNN-UHFFFAOYSA-N 251.267 4.531 30 10 CJEE CCCCCCCNc1cc(Cl)c(C)cc1N 2025937635 FUAKZSCKXRHTOI-UHFFFAOYSA-N 254.805 4.613 30 10 CJEE CCCCCCCC[C@H](O)C1CC[C@H]2C[C@@H]2CC1 2028968484 SCCPWVDQBWCRFJ-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE C=CCCCCC[C@H](O)C1(CC(F)(F)F)CCC1 2034502319 MWSSJSFYGNPOSX-LBPRGKRZSA-N 264.331 4.607 30 10 CJEE C=C(C)C[C@H](NCCC)[C@H]1CCCC(F)(F)CC1 2038283127 SIIJCAUUSMFXHH-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCC[C@@H](C)CC1 2039370411 PTENYYOLWWCUGD-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCCC(F)(F)F)CC1 2039381500 QUMVHKGAUQBGOY-CYBMUJFWSA-N 264.331 4.895 30 10 CJEE O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccccc1 2040455182 QINQQXZTPSHRES-UHFFFAOYSA-N 291.394 4.573 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)C1CC(C(C)C)C1 2040517855 AEMLBEFOEWRGLN-ZGRYLRDCSA-N 251.458 4.639 30 10 CJEE C=CCCCCCC(=O)c1snc2ccccc12 2041911102 VEJKGGXMIDCLDO-UHFFFAOYSA-N 259.374 4.616 30 10 CJEE CCCCCCC[C@](C)(O)C1=CCC(F)(F)CC1 2045225985 VKFIPHFCKLRGCK-AWEZNQCLSA-N 260.368 4.844 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(Cl)cncc1Cl 2045790141 SRMAMMMOGYUXGN-CYBMUJFWSA-N 287.234 4.785 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)C(CC)(CC)CC 2046002017 IIPACMHBZAXPCJ-GDBMZVCRSA-N 253.430 4.674 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCC(C)(C)C1 2049496750 WXENMTNUDKEVCD-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCC(CCC)[C@@H](C#N)Nc1ccccc1Cl 2052165187 PGHCDMOFLAEJPG-OAHLLOKOSA-N 264.800 4.860 30 10 CJEE CCCCCCCN(C)C1C2CCCC1CCC2 2052294075 FQISIMSTFXOLTR-UHFFFAOYSA-N 251.458 4.857 30 10 CJEE C#Cc1ccc(NCc2cc3cscc3s2)cc1 2057109588 VPRPGRFAWKKRON-UHFFFAOYSA-N 269.394 4.556 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)NC 2057358905 WAYNIMBBCGIAOY-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE C[C@@H]1CC=C(C(=O)[C@H]2CCCCCC2(F)F)CC1 2060910492 RXMOKNMPMKBWSH-DGCLKSJQSA-N 256.336 4.518 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2csc(C(C)C)n2)CC1 2061185065 APCQQPGYYLSBJI-LLVKDONJSA-N 263.406 4.586 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@H]1C1CC1 2071803605 AYZQIJWGJLECFS-IAGOWNOFSA-N 251.458 4.905 30 10 CJEE CCCCCCCCN1C[C@@H]2CCCCC[C@H]2C1 2074912355 VZYVXUAHWHZLET-IRXDYDNUSA-N 251.458 4.859 30 10 CJEE CCCCCCCCCCCCN1C[C@@H]2C[C@H]2C1 2075142973 ZJBCWJFMRNVXDI-IRXDYDNUSA-N 251.458 4.859 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ccsc1 2076569395 MIJWCXBBQWHZDA-INIZCTEOSA-N 257.402 4.502 30 10 CJEE CCCCCCC[C@](C)(N)[C@@H]1C[C@]1(C)C(F)(F)F 2078610984 XNGKPZNLNBBCFH-AGIUHOORSA-N 265.363 4.653 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(Cl)c1F 2083752168 YVAVOXBIZSYIHU-RISCZKNCSA-N 269.791 4.732 30 10 CJEE CCCCCC#CCNCc1cc2sccc2s1 2084716789 YKLLZSPNVODFFM-UHFFFAOYSA-N 277.458 4.636 30 10 CJEE CCCCCCC[C@@](C)(N)c1sccc1OCC 2085737680 DNKANDRXTQOMHM-OAHLLOKOSA-N 269.454 4.681 30 10 CJEE C=CCCCCCC[C@H]1C[C@@H](NCC)C[C@H](C)C1 2085845828 ACMBONYGMYKJGV-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCN[C@H](C)c1nccs1 2086278199 FNLHCZPQKPPUPE-CQSZACIVSA-N 266.454 4.710 30 10 CJEE C=CCCCCCCCCN[C@@H](C)CC(F)(F)F 2086278671 LCMAWEUHBPOSNA-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE Cc1cc(C#N)nc(Nc2cc(Cl)c(C)c(Cl)c2)c1 2087752036 WHRSXEHXDGNTGK-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCCCC(=O)c1cn(CC)cn1 2088034700 FXCRTXVRFNJUQB-UHFFFAOYSA-N 264.413 4.617 30 10 CJEE CCCCCCCCCCNC[C@@]1(C)CCCCO1 2088636414 PMWKQRCLRKRFJV-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CCc1ccc(CSC[C@@H](CS)c2ccccc2)o1 2089398390 QGDDJKLGJBGJKY-CQSZACIVSA-N 292.469 4.789 30 10 CJEE CCCCCCC[C@H](N)c1cccc2c1CCCC2 2090158229 HOOLZUSDGOGEOU-SFHVURJKSA-N 259.437 4.926 30 10 CJEE C[C@H]1CC([C@H](C#N)Nc2ccc(Cl)cc2)C[C@H](C)C1 2090706612 BQKRXZKFWZQEKS-HSMVNMDESA-N 276.811 4.716 30 10 CJEE C=C1CCC(CN[C@@H]2CC(C)(C)CC3(CC3)C2)CC1 2090742199 VNSUUPXKWASXCO-MRXNPFEDSA-N 261.453 4.681 30 10 CJEE C#CCCC[C@@H](NCCC)[C@H]1CCCC(C)(C)CC1 2100876825 XQASOMCEKGUDEI-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@@H]1OCC[C@@H]1C 2101071906 BFZZAHYZVPDIFF-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE CCC[C@H]1CCSC(=N[C@H](C)C2(C)CCCCC2)N1 2101339032 FPYMIJJHRZRVEL-KGLIPLIRSA-N 282.497 4.597 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1c(C)oc(C)c1C 2102112598 UAYTVOWRFOEHTR-YVEFUNNKSA-N 263.425 4.848 30 10 CJEE CC(C)[C@H]1SC(=N[C@@H](C)c2ccc(Cl)cc2)N[C@@H]1C 2103000236 BYJTZAJTIVFGQX-MISXGVKJSA-N 296.867 4.507 30 10 CJEE CC1(C)C[C@@](C#N)(Cc2c(Cl)cccc2Cl)CCO1 2105309310 DIODHVIDFJBICZ-HNNXBMFYSA-N 298.213 4.635 30 10 CJEE CCCCCCC[C@@H](NCC)c1nc(CCC)ns1 2107181509 KFZATKCCTHPOGI-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CC1CCC(C=O)(Cc2cc3ccccc3s2)CC1 2108713533 NGUYJHBJFUJCST-UHFFFAOYSA-N 272.413 4.839 30 10 CJEE CC(C)(C)CC[C@](C)(O)[C@]1(C#N)CCCC(C)(C)C1 2112238819 VVFTZHYDTBMNSC-DLBZAZTESA-N 265.441 4.674 30 10 CJEE C[C@@H]1CCC[C@@H]([C@](C)(C#N)Nc2ccc(Cl)cc2)C1 2112270424 ZMSPZHADYNZQRZ-IOASZLSFSA-N 276.811 4.860 30 10 CJEE CCCCCC1CCC(C(=O)[C@@H](C#N)CCC)CC1 2112393245 IZRLBHJWLQNBGB-UYSNPLJNSA-N 263.425 4.882 30 10 CJEE C=C[C@@H](C)C[C@@H](Cc1ccc(F)c(Cl)c1)NCCC 2116658093 LGXKKICBSNFPMY-OCCSQVGLSA-N 283.818 4.602 30 10 CJEE O=C[C@@]1(Cc2ccc(F)cc2Cl)CCCCC12CC2 2117043252 OTSDCQCTDKAVIJ-INIZCTEOSA-N 280.770 4.561 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@H]1CCCCC12CCC2 2117043944 HMNCSHIWAHPXCM-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H](NCC)C[C@H]1OC 2119431394 GDCNTIVKDJTEGY-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@](C)(N)c1ccc(Cl)c(F)c1F 2120371166 VRSHOINDDPEICJ-HNNXBMFYSA-N 287.781 4.929 30 10 CJEE CCC(CC)(CC)CNc1cc(Cl)c(C#N)cc1F 2120880551 ATFJKYFWLXDHQN-UHFFFAOYSA-N 282.790 4.979 30 10 CJEE C=CCCCC[C@H](N)c1cc(F)ccc1C(F)(F)F 2123080371 MPOMAPXQWHQDBR-ZDUSSCGKSA-N 275.289 4.591 30 10 CJEE C=CCCCC[C@H](NC)c1cccc2c1CCCC2 2123083004 GTQNJDSUWMYSMI-SFHVURJKSA-N 257.421 4.572 30 10 CJEE C=CCCCCC(=O)c1ccc(OC(F)(F)F)cc1 2123083999 MOGOIJFRRXNXPX-UHFFFAOYSA-N 272.266 4.514 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1CC[C@@H](COC)C1 2125426020 KHCGQHYIOQJLOL-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CC1CC(N[C@@H](C)c2ccc(C(C)(C)C)cc2)C1 2125865579 WNKNNVPIFQYJKD-CBCUQQMYSA-N 257.421 4.599 30 10 CJEE C=CC1(CN[C@H]2CSc3ccccc32)CCCCC1 2132977985 VBLXOWDGRPKUJQ-HNNXBMFYSA-N 273.445 4.560 30 10 CJEE O=CC1(C[C@H]2C[C@@H]2C2CCCC2)CCC2(CC1)CC2 2135636658 PZXLKFKTLZKDAH-HZPDHXFCSA-N 260.421 4.742 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@H]1CCC)NN 2135680205 GTKBYARYNKOCDV-BRWVUGGUSA-N 268.489 4.785 30 10 CJEE CCCCCCC[C@]1(C)NC[C@]2(CCCC[C@H]2C)O1 2136790854 AKUKYILKDDJDDY-ZACQAIPSSA-N 267.457 4.632 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(OC)c(Cl)c1 2138235747 DYQYBKUQBCRECA-MRXNPFEDSA-N 283.843 4.883 30 10 CJEE CCCCC#CC[C@H](NC)[C@@H]1CCCC(C)(C)CC1 2138959625 UFZQUWKWRRCUFC-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@H](NCCC)C1CCC(CC)CC1 2138959973 XWUREQACGDXMKR-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE C#C[C@@H](N[C@@H]1CCCCCC1(C)C)C1CCCCC1 2138969139 BKDGFLQCPWOXQK-IAGOWNOFSA-N 261.453 4.517 30 10 CJEE CCCCCC#CC[C@@H](NC)c1cccc(SC)c1 2138984782 CKLFYFHCZHPTNI-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE C=CCCCCCC[C@@](C)(N)Cc1ccc(C)cc1 2141906466 VHZQDUMXSTXNGN-GOSISDBHSA-N 259.437 4.782 30 10 CJEE C=CCCCCCCC(=O)[C@](C)(O)CCC(C)(C)C 2141915662 DFQQDSSEIWMKJU-QGZVFWFLSA-N 268.441 4.659 30 10 CJEE C=CCCCCCC[C@H](NCCC)C(C)(C)COC 2141923320 UCTGOQQDHXXERE-INIZCTEOSA-N 269.473 4.554 30 10 CJEE C=CCCCCCC[C@]1(C#N)C[C@H](OC)C12CCC2 2141924193 RKBZQJATAURCRI-JKSUJKDBSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCN1CCCc2cc(C)ccc21 2141924244 ZTSKKXQCMYOZDF-UHFFFAOYSA-N 257.421 4.884 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1C[C@@H]2COC[C@@H](C2)C1 2141992408 NQUAGZIOHHRBBE-YVSFHVDLSA-N 263.425 4.549 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1coc(C)n1 2142428551 SVCDZPRMFSUUKH-HNNXBMFYSA-N 264.413 4.680 30 10 CJEE C=CCCCCCCCCCOCCNCC(C)C 2142439592 NJGQDTHYXLKHOE-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1cc(C)c(C)s1 2142458511 WRMHWFRJVVENCQ-AWEZNQCLSA-N 282.449 4.659 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC(C)(C)C(C)C 2142464388 PEYHNWFSGZFWJD-HNNXBMFYSA-N 270.457 4.739 30 10 CJEE CCCCCCCC[C@@H]1OCCC[C@@H]1CNCCC 2142469395 JWPPBLVCHUGOLU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CCCOCC1 2145291603 GQBVZXNRTRKHSP-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE N#Cc1ccc(CNCCC2CCCCCC2)c(Cl)c1 2145457494 JFPQWFMTTFWMDL-UHFFFAOYSA-N 290.838 4.662 30 10 CJEE CCCCCCC[C@H](NCCC)[C@](O)(CC)C1CCC1 2148585621 DPJFCJUONIKCDT-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@](C)(O)C(C)(C)C 2148592958 WOVCBCFHGCSYKO-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCCc3cccnc32)C1 2148803130 CSANWTQQFKHMMZ-HFTRVMKXSA-N 268.404 4.612 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](O)[C@@H](C)C1CC1 2149468481 USBXOWPPYSCNLA-RYQLBKOJSA-N 283.500 4.512 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)c1coc(C)c1 2149855536 NTAJTKORCSAIDF-GOSISDBHSA-N 273.420 4.603 30 10 CJEE CCCCCCCCCCCCN[C@@H]1[C@H]2CCOC[C@@H]21 2150122214 ZEXPEAVFQIDANG-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1[C@H]2CCCC[C@H]21)NN 2150170025 FNKIDULVBVCYLD-BDXSIMOUSA-N 280.500 4.785 30 10 CJEE CCCCCCCCc1nn(C)c(N)c1-c1ccsc1 2152531382 JUTSESGUOXIKFW-UHFFFAOYSA-N 291.464 4.634 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]1(O)CCC[C@@H]1CCC 2152947918 QZIYSNFNFKGUHK-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@]2(C1)CC2(F)F 2156176180 WMWNBOUEGYJBIJ-JSGCOSHPSA-N 296.748 4.592 30 10 CJEE CCC[C@@]1(C)CSC(=NC[C@H]2CCCC(C)(C)CC2)N1 2157111143 JNKLEEYEBVHADL-YOEHRIQHSA-N 296.524 4.844 30 10 CJEE C[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC(C)(C)CC2)CC1 2157116090 BKXXOXGREVGINM-KBAYOESNSA-N 277.452 4.818 30 10 CJEE C=C1CC(N(C)c2ccc([C@H](C)NCCC)c(Cl)c2)C1 2157720390 YAWHCZRLNFHCLY-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE CCSc1ccccc1NCc1ccc(C)c(C#N)c1 2158460571 VBFNJFZVDYFHOH-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE C=CCCOCC[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 2163905305 UKBAEZBLNCSAID-FUHWJXTLSA-N 281.484 4.554 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(COC)c1 2164179401 LOOZLNNJTCHDSG-GOSISDBHSA-N 275.436 4.620 30 10 CJEE C=CC1(CN[C@@H](C)c2ccc(CC(C)C)cc2)CCC1 2168008594 ZWSXVLOSOPPTQA-INIZCTEOSA-N 271.448 4.892 30 10 CJEE C=CC1(C[C@H](NCC)c2ccccc2C2CC2)CCC1 2168027641 GBMJSWOFCRINQF-SFHVURJKSA-N 269.432 4.961 30 10 CJEE CCC[C@](O)(C[C@@]1(C#N)CCCC(C)(C)C1)C(F)(F)F 2168553388 FDSPBJZBBZQXNA-KGLIPLIRSA-N 291.357 4.580 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCCC(F)(F)C1 2168896320 KKWCUWREUPAUTA-GJZGRUSLSA-N 285.422 4.620 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1csc(C2CCCCC2)n1 2169856845 PUURDHFRTFAYHQ-DYVFJYSZSA-N 291.460 4.739 30 10 CJEE CCCCCCC[C@H](O)[C@]1(C#N)CCCCC12CCC2 2173627073 WKCUEYZZTKJIKL-FUHWJXTLSA-N 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294.870 4.629 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1CC[C@@H]1OC)NC 2186890189 ORTZMAFFRVFESH-KURKYZTESA-N 283.500 4.920 30 10 CJEE C=CCC(C)(C)Oc1c([C@H](C)NCC)ccc(Cl)c1F 2187283267 IZJSJWYMRDGGOC-NSHDSACASA-N 299.817 4.883 30 10 CJEE C=CC1(CNC[C@H]2CCCC[C@H]2C(F)(F)F)CCCC1 2189514870 NNJVGNSGAAAPOQ-ZIAGYGMSSA-N 289.385 4.691 30 10 CJEE CC(C)(CCF)CNc1ccc(C#N)c2ccccc12 2191345539 JDJDCLUIBWOXJX-UHFFFAOYSA-N 270.351 4.509 30 10 CJEE CCC1CCC(C=O)(C2CC(c3ccccc3)C2)CC1 2191387728 WUDROEFWIFJLAJ-UHFFFAOYSA-N 270.416 4.966 30 10 CJEE CC#CCCC[C@H](NCC)C1CC2(C1)CC1(CCC1)C2 2194058301 FXCHBVNALOVLQX-KRWDZBQOSA-N 273.464 4.519 30 10 CJEE C[C@H]1CCC[C@](C#N)(CC2CC3(C2)C(F)(F)C32CC2)C1 2195062310 KZLAVZHVCIDQLO-PGOFDVKTSA-N 279.374 4.922 30 10 CJEE C=CCCC[C@@H](CC1CC2(C1)C(F)(F)C21CC1)NCC 2195067275 DKEPXTQUYIGHCQ-BBBYJDLNSA-N 283.406 4.536 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1cc(C)cc(F)c1 2196174171 LCAJSGURJFSPNM-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CC#CCCCCC(=O)c1ccc(OCCCC)cc1 2196210656 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281.484 4.665 30 10 CJEE CCCCCCCC1(OCCCN)C[C@@H](C)C[C@H](C)C1 2293654412 GWVXOSYUXQWLMJ-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE O=C(C=Cc1ccccc1Cl)c1cccc(Cl)c1 2294300064 ORGAHMQRKMBGBK-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE Cc1ccc(NCc2ccsc2C#N)cc1C(F)(F)F 2294738361 LOMLXUZLAGUYSD-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE C#Cc1ccc2c(ccn2C[C@H]2CCC=CCCC2)c1 2295168055 UEZDHMMFCZXNDX-KRWDZBQOSA-N 263.384 4.759 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@H](C)C1CC1 2295689723 UBVMQBJGXWPUSG-JQHSSLGASA-N 283.500 4.642 30 10 CJEE CC(C)(C)C(=O)C=Cc1ccc(-c2ccccc2)cc1 2296552239 ALDISYCYJQZKBD-UHFFFAOYSA-N 264.368 4.982 30 10 CJEE O=C1C(=Cc2ccsc2)CCC1=Cc1ccsc1 2297334041 XXBOXAIMRYLELK-UHFFFAOYSA-N 272.394 4.640 30 10 CJEE O=C(C=CSc1ccc(Cl)cc1)c1ccccc1 2297532355 FDDBYOCZLOQIKX-UHFFFAOYSA-N 274.772 4.829 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc2cscc2s1 2301028971 IOUJVGPYDZVQIW-AWEZNQCLSA-N 264.415 4.765 30 10 CJEE C=C(C)CC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2302364174 WGBDLMZGJPKZEN-AWEZNQCLSA-N 272.219 4.610 30 10 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259.393 4.706 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335671016 AKZDKGCNUMPRJD-QMTHXVAHSA-N 284.375 4.517 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)c(C)c1 2337072735 MRJRDLOFPPUTNZ-GRDNDAEWSA-N 261.384 4.530 30 10 CJEE C=C[C@H](CCCCC)OCCCCCCCNCC 2337937619 CCVKJNWIOQPRMM-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@]1(C)CC=CCO1 2339838182 ICXAQXFLWIRUTG-SJORKVTESA-N 267.457 4.580 30 10 CJEE Cc1c([C@@H](C#N)N2CCCCCC2)ccc(Cl)c1Cl 2340530861 STDCKZVNLRVFCH-CQSZACIVSA-N 297.229 4.743 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H]1CCO1 2341151123 BKUSXTJZQQCWTR-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=C(C)C[C@@H](CC(C)(C)c1ccccc1)NCCC 2341927618 YOSBYPDFIYNCGQ-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE C[C@@H]1CC2CC(CC3(C#N)CCCCCCC3)(C2)O1 2342417767 SLKNDMNWAPZCPB-HPUBIQBYSA-N 261.409 4.588 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NC 2344341923 GBVVZUACFHYUJI-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)c(OC)c1 2344343790 FWRPAGVUUZAPAO-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)cc1F 2344345566 WYYPHMMWRBDZET-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2344357992 STLSYYJMSNPPCR-LTIDMASMSA-N 263.469 4.913 30 10 CJEE C=CC[C@H](C)[C@H](C[C@]12CCCC[C@H]1CC2)NCCC 2344382179 FGZKYNKXOCWZGF-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 2344419804 JPQFDQGZAYGDAY-NEPJUHHUSA-N 276.342 4.917 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(C(F)(F)F)cc1C 2344465210 MKYWEOQXEAOUEN-ZDUSSCGKSA-N 272.310 4.650 30 10 CJEE C=CC12CC(CCN1C[C@H]1CC[C@H](CCC)CC1)C2 2351692274 DXGZLYLYAPVJQD-MJYONLJCSA-N 261.453 4.633 30 10 CJEE C=CC12CC(CCN1CC1CCC(CCC)CC1)C2 2351692276 DXGZLYLYAPVJQD-UHFFFAOYSA-N 261.453 4.633 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CC[C@@H](C(C)C)C1 2351999466 YFFAQNMYOQNDNX-CJNGLKHVSA-N 282.449 4.520 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352759885 ZJQFVKDCAWNVFA-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CCC[C@H](CC)C[C@@]1(C=O)CCOC12CCCCC2 2353449838 JKRVLALHGZVFGY-JKSUJKDBSA-N 266.425 4.511 30 10 CJEE CC(C)C[C@H](CS)CN1CC[C@@H](C)c2ccccc21 2353835768 OEYVOUJXXIXKAJ-CABCVRRESA-N 277.477 4.592 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 2353977044 YNTGOYKRNMYKAC-IXDOHACOSA-N 280.452 4.901 30 10 CJEE CCCCCCC[C@@](C)(O[C@@H]1CCCC[C@H]1C)C(=O)O 2357911734 DCRIMPNQULCMGF-BFYDXBDKSA-N 284.440 4.786 30 10 CJEE C=CCC(CC=C)SCCCC[C@](C)(C#N)NCCC 2360202051 KKNUPTHVZPUQOZ-QGZVFWFLSA-N 294.508 4.693 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(Cl)ccc2C#N)cc1 36954461 UQODGDIPZXSDEI-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#Cc1ccc(NC(c2cccs2)c2cccs2)cc1 37212151 WBLDNXATHLAUDH-UHFFFAOYSA-N 296.420 4.883 30 10 CJEE CCc1ccc([C@H](C)Nc2ccc(C#N)c(Cl)c2)cc1 37393193 QVQWCZJLGPALBZ-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2cccc(F)c2)cc1C 57688539 QAQARANNCBJOSQ-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2cc(C)ccc2C)c(C)c1 57695444 CXMBGXUPTICIMT-GOSISDBHSA-N 293.410 4.997 30 10 CJEE CC1CCC(CCNc2cccc(Cl)c2C#N)CC1 78806629 FBBKEJVLJURHAT-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE Cc1ccc(C[C@@H](C)Nc2ccc(Cl)cc2C#N)s1 80245281 OUQLWXHHNGJRFO-SNVBAGLBSA-N 290.819 4.625 30 10 CJEE C=CCCC[C@@H](NC)C1CCC(C(C)(C)C)CC1 87987690 WTRZPCFCBLBJBQ-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cccc(C)c2)CC1 91882367 GAFQQANFZUOASW-NXYGQSRBSA-N 271.404 4.529 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Sc1ccccc1Cl 93955896 IMDZVCJDMNGHCO-MFKMUULPSA-N 251.782 4.514 30 10 CJEE Cc1ccc(C(C)C)c(OC[C@@H](CS)C(C)C)c1 94582761 OJQMVYLBDFXAHY-AWEZNQCLSA-N 266.450 4.699 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(CC(C)C)cc2)C1 94904983 VOUYONCTCRUCPL-ATZDWAIDSA-N 285.431 4.639 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(C)c2ccccc2n1 97816853 HGFZHQUFAMAIAS-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCCNC[C@H](CC)Oc1ccc(C)cc1 100027268 GAVRSSUEUBWOJS-KRWDZBQOSA-N 277.452 4.712 30 10 CJEE CCCCCCCCOc1ccccc1CNCC1CC1 100047251 XBMZUGRCRZBCBP-UHFFFAOYSA-N 289.463 4.926 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1ccccc1C 104731511 NSBGZGTYEMJDOS-QINSGFPZSA-N 265.356 4.502 30 10 CJEE CCCCCCCn1c([C@@H](N)CC)nc2cc(C)ccc21 105501750 OKKHJFOJWSVXRK-HNNXBMFYSA-N 287.451 4.725 30 10 CJEE CCCOc1ccc(C(C)(C)C)cc1C[C@@H](C)CS 107601694 WVZDEIRLLHZWRS-CYBMUJFWSA-N 280.477 4.881 30 10 CJEE C=C[C@@H](C)Cc1cc(Cl)cc(C(C)C)c1OC 107631960 PQYSMEKJNCFTPG-LLVKDONJSA-N 252.785 4.837 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O 110023312 AAVNEFCJRNUPPV-YESZJQIVSA-N 270.457 4.549 30 10 CJEE CCCCCCCCO[C@@H](CNCC)c1ccc(F)cc1 110070348 WGFIAAYDILPMTC-SFHVURJKSA-N 295.442 4.853 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](NC)c1ccccc1 110084056 RJDOAWMUJZUSIQ-FUHWJXTLSA-N 277.452 4.713 30 10 CJEE CCCCCCC[C@@H](O)c1cncc2ccccc12 111924633 IGXVYEREVHHIRP-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)ccc1OC 115064642 QTXFRFOUAXGULA-HNNXBMFYSA-N 268.372 4.618 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 124679971 ZFVSHYXLOQJLPI-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE C=C(C)CN(CC)c1ccccc1[C@@H](CC)NCCC 127489681 JNNOPSLHFMHTCV-QGZVFWFLSA-N 274.452 4.540 30 10 CJEE C#CC[C@@H](CC)N[C@@H](C)c1ccc(-c2ccccc2)cc1 129825187 JGSXKKGKRDGBLN-OXJNMPFZSA-N 277.411 4.806 30 10 CJEE Cc1cc(C)cc(-n2nc(C3CCCC3)c(C#N)c2Cl)c1 134263934 ANRBOIRTXMZZMW-UHFFFAOYSA-N 299.805 4.672 30 10 CJEE CCCCCCCCCC(=O)c1cccc2c1OCCO2 135410021 REHLTQOIQWXIGF-UHFFFAOYSA-N 290.403 4.781 30 10 CJEE CCSc1cccc(OC[C@H]2CC=CC[C@@H]2C)c1C#N 136710895 QZHJGENWBFHMTQ-UONOGXRCSA-N 287.428 4.651 30 10 CJEE CCCCCCCCC(=O)c1ncccc1Br 140014869 BDOUAUCTZINWIT-UHFFFAOYSA-N 298.224 4.777 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(C)nnc1CC 143444411 DSZSZPSYDPWRMV-QGZVFWFLSA-N 291.483 4.878 30 10 CJEE N#Cc1cc(NCc2cc(F)cc(Cl)c2)ccc1Cl 160848495 FPVSVGKTOBNXKX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 167769587 VEYLQWMFEHEYTR-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=C(CC)CC[C@@H](CNCC(C)C)c1ccccc1 211958669 HZHQLFGTMMRALR-SFHVURJKSA-N 259.437 4.762 30 10 CJEE C[C@H](N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1ccccc1 219547505 LQJCMFQDAVPBSL-HNAYVOBHSA-N 292.426 4.900 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 221837756 AVQDLIALHUXIOU-SUNKGSAMSA-N 296.336 4.814 30 10 CJEE CCCCCCC[C@H](Cc1nc(C)c(C)s1)NCC 228895855 NXXJJKSLWWZTFG-OAHLLOKOSA-N 282.497 4.641 30 10 CJEE N#Cc1ccccc1Nc1cc(Cl)c(F)c(Cl)c1 232039667 AQBXAEPMYTYJQF-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)CC[C@H]2N 232409633 ACOMYVVXUJJMLN-GOSISDBHSA-N 275.436 4.762 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H](OCC)C(C)C 233163698 ASYDONUZYHNDAB-SJORKVTESA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1sc(C)nc1C 233164589 JIQQQBBYPLNZJR-OAHLLOKOSA-N 280.481 4.937 30 10 CJEE Cc1ccc(Nc2cccc(Cl)c2Cl)c(C#N)c1 235866660 MBZSOPBUWZHYSM-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE N#Cc1ccc(NCc2ccccc2C2CC2)c(Cl)c1 236030256 UMAVRSPVJMAQRH-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(Br)cs1 236315606 XECXZQHDDGKDMF-LLVKDONJSA-N 288.254 4.647 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@]1(C)CC 250795165 AOURPEQFEJAPOT-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCN1CCC[C@@H]([C@H](C)NCCC)C1 250808514 GOTNEUKMSLCXLH-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCN1C[C@](C)(C2CC2)NCC[C@H]1C 250836373 VBXMDVQMEOGLPC-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE N#Cc1sc(-c2ccc(Cl)cc2)cc1Br 259157544 KAESEMHXWODVEL-UHFFFAOYSA-N 298.592 4.703 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCCC(C)C)C1 300441026 PGRJTSCRDCNULI-QLFBSQMISA-N 253.455 4.874 30 10 CJEE C=CCCC[C@@H](N)c1ccccc1OCc1ccccc1 310020415 RCQIHKJJUHXRKE-GOSISDBHSA-N 281.399 4.622 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@H]2CCCc3ccccc32)C1 311408907 XYZMQYHJJQVHSE-QGPMSJSTSA-N 253.389 4.827 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)CN(C)C 312465197 FVUCPBNSNLQYCD-SFHVURJKSA-N 284.532 4.695 30 10 CJEE C=CCC(C)(C)CNCc1ccc(Cl)c2cccnc12 312526797 IXMQWVXSNMHCGI-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE CCCCCCC[C@](C)(CNCC(C)C)OC(C)C 316296934 JYEHEMZPVCWHMD-QGZVFWFLSA-N 271.489 4.776 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CCc2ccc(Cl)cc2)C1 316705304 BOBPSRAPIYZVGN-CZUORRHYSA-N 264.796 4.668 30 10 CJEE CCc1ccc(C[C@@]2(C=O)CCC[C@H](CC)C2)s1 316859304 OWBSIGMNIWRARX-XJKSGUPXSA-N 264.434 4.639 30 10 CJEE CCCC1CCC(C=O)(Cc2cc(F)ccc2C)CC1 316889181 RYPMOKYGHHCOHF-UHFFFAOYSA-N 276.395 4.852 30 10 CJEE CC#CCC[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1 318111917 XHEWEWLKFYNTQF-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE CCCCCCCCCC[C@]1(F)[C@@H]2C[C@H]3[C@H](CN[C@H]31)C2 328545798 NAQIBFPCWXJOTL-TXTZMMAHSA-N 281.459 4.853 30 10 CJEE C#C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccccc1 378684725 VHUUILGQCAVWGS-OAHLLOKOSA-N 276.166 4.780 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H](C)CCCC 380591888 XWDKIBFRSRTNMN-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE C=C(CN[C@@H]1CCCCC12CCCC2)c1ccccc1 383693749 AZVHCKBVLQVHOV-GOSISDBHSA-N 269.432 4.792 30 10 CJEE C=C[C@@](C)(CNC(C)C)CC1CCC(C)(C)CC1 385236389 JPTYTWZVNVOLED-QGZVFWFLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(C)c(C)cc21 388885859 IFFQEAFZXDAJIV-UHFFFAOYSA-N 274.433 4.544 30 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296.524 4.556 30 10 CJEE C#CCCN(CC)C(=O)CCCCCCCCCCC 697568993 IGIGMAJPPDYOFJ-UHFFFAOYSA-N 279.468 4.779 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C)C(F)(F)F 697702488 HTHKPVUOVLJUAX-NEPJUHHUSA-N 253.352 4.523 30 10 CJEE CCCCCCCCC[C@H](NN)C(C)(CC)CC 701291991 SICBJRWEGJELCE-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE CCCCCCCNc1nccc(C)c1Br 703743728 IYVFCXKPZMYZQY-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE C=C(CC)CNc1cc(Cl)c(Br)cc1F 703799376 AUUYETJEPRBOES-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCSc2ccccc21 704049773 ZYHIMXZTNIZKPH-HNNXBMFYSA-N 275.461 4.806 30 10 CJEE CCCCCCCCCCCC[C@@](F)(CN)COC 704164878 JNUJWRIVSNRIAN-MRXNPFEDSA-N 275.452 4.611 30 10 CJEE C=C(CN[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 705968919 DEHWUZTZLHXDKC-AYOQOUSVSA-N 271.448 4.750 30 10 CJEE CCCCCCC[C@@H](C)NOCCCC(F)(F)F 710156537 BMNHONKILJXRAZ-GFCCVEGCSA-N 269.351 4.599 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1csc(Cl)c1 710670816 QPSBBKHVYIHDOT-SNVBAGLBSA-N 264.221 4.585 30 10 CJEE 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C=CCCCC[C@H](C)N[C@@H]1CCCc2ccccc21 1561035185 PLMYKUVCRNBCEV-MAUKXSAKSA-N 257.421 4.789 30 10 CJEE C=CCC1(CNC(=O)/C=C(/C)c2ccccc2C)CCCC1 1568998526 NDGLPSMCUMGSIZ-VKAVYKQESA-N 297.442 4.651 30 10 CJEE C=C[C@@H](C(=O)N(C)C1CCCCCCC1)c1ccccc1 1584564301 NQVARROMAGPPEQ-GOSISDBHSA-N 285.431 4.528 30 10 CJEE C=C[C@H](OC(=O)CCCCC(C)C)c1ccccc1 1587283810 VQQNDABLTQUQMX-INIZCTEOSA-N 260.377 4.673 30 10 CJEE C=CCC1(CNC(=O)CCCc2ccc(C)cc2)CCCC1 1587304870 RQWHVERXEVASTP-UHFFFAOYSA-N 299.458 4.570 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)Nc2ccccc2)c1 1603447262 SNPAEFRBYBITLH-UHFFFAOYSA-N 294.398 4.549 30 10 CJEE Cc1cc(F)ccc1C#Cc1ccc(Cl)c(Cl)c1 1614826655 IZXFZODZDCCVGR-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C#Cc1ccc(NC(=O)/C=C\[C@]2(C)CC[C@H](C)C2(C)C)cc1 1618689403 KZUZLIYQTKYQHC-BPUMEUEASA-N 295.426 4.625 30 10 CJEE C=CCC[C@@H](NCc1ccccc1NC)c1ccccc1 1620868758 ONYHQTUGJMRTBL-LJQANCHMSA-N 280.415 4.525 30 10 CJEE C=CCCC[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccccc1 1621499785 LIOUEVKPIBMQLD-WDSOQIARSA-N 287.447 4.631 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)C[C@H]1CC1(C)C)c1ccccc1 1623304847 LXQYNIDMQILMBL-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=C(C)CN(C)C(=O)Nc1cccc(C2CCCCC2)c1 1626550417 QEDXNRKTEAEPPW-UHFFFAOYSA-N 286.419 4.774 30 10 CJEE C=C(C)CN(CCc1ccccc1)CCC(C)(C)C 1648151644 IIPWLZDXYJUKMT-UHFFFAOYSA-N 259.437 4.543 30 10 CJEE C=CCCCCCCCCNc1snc(C)c1C#N 1655534550 PWOTXQNZUBFTGW-UHFFFAOYSA-N 277.437 4.652 30 10 CJEE C#CCCCCCCN(C)[C@@H]1CCCc2ccccc21 1657589371 HNYCSIYNMMDVBF-LJQANCHMSA-N 269.432 4.580 30 10 CJEE C=CCC[C@H](NC[C@@H]1CC[C@@H]2C[C@H]2C1)c1ccccc1 1658001043 LVJUPOGUIOHDDH-OWYHZJEWSA-N 269.432 4.720 30 10 CJEE C=CCOc1ccc(CN[C@H](C)C[C@H](C)CC(C)C)cc1 1658077516 NFRJCZQYJPDBCZ-IAGOWNOFSA-N 289.463 4.802 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCCC[C@H]3C3CC3)cc21 1658997424 DHTOURKDHDEQJS-ZWKOTPCHSA-N 295.430 4.603 30 10 CJEE C=CCCCC[C@H](C)Nc1cnc2c(c1)CCCC2 1659435029 NWZSAWOKUOUGAU-AWEZNQCLSA-N 258.409 4.507 30 10 CJEE C=CCCCCCCCNC[C@@H]1CCc2ccccc21 1659961481 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CC(C)(C(F)(F)F)[C@](C)(O)C1(C#N)CCCCCCC1 2193182723 IZRVNYJIWVMSQL-ZDUSSCGKSA-N 291.357 4.580 30 10 CJEE CCCC[C@@H](CC)Nc1nc(C(C)(C)C)ccc1C#N 2193570236 LNASREQPLXGARI-CQSZACIVSA-N 273.424 4.631 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OCC(F)F)c1 2194197186 GPKNKMPYOQGIRI-HNNXBMFYSA-N 286.362 4.724 30 10 CJEE CCCCCCCCCN1C(=O)CC[C@H]2CCCC[C@H]21 2195535356 NMTPFPOGLFGGQW-IAGOWNOFSA-N 279.468 4.918 30 10 CJEE CCCCCCCCCN1CC[C@@H](OCCC(C)C)C1 2195538071 YFKIDEOJRGEPIT-GOSISDBHSA-N 283.500 4.874 30 10 CJEE CC#CCCCC[C@](C)(N)c1ccc(CC(C)C)cc1 2196213019 ITAPINFHJYKOBD-IBGZPJMESA-N 271.448 4.643 30 10 CJEE CCCCCCCCN(C)CC(=O)c1ccc(Cl)cc1 2196690683 LQIAMXGXDDBYFM-UHFFFAOYSA-N 295.854 4.815 30 10 CJEE CCCCCCCN(C)c1nc([C@H](C)NCC)c(C)s1 2196715350 WFUBLHMXYAAKTN-ZDUSSCGKSA-N 297.512 4.529 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1scc2c1CCCC2 2196859092 QWSCJYSRNJEURF-RHSMWYFYSA-N 289.488 4.717 30 10 CJEE CC1(C)CC[C@]1(C)Nc1ccc(C(F)(F)F)cc1C#N 2197287343 UVCBSEDPNUKNAS-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1C[C@@H]1C1CCCCC1 2200029492 JHWZKWLGXSULJZ-QYZOEREBSA-N 275.480 4.765 30 10 CJEE C[C@@H](Nc1ccc(F)c(Cl)c1F)c1cccc(C#N)c1 2200723222 MIWSGJGYVBGRSS-SECBINFHSA-N 292.716 4.663 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@@H]1CCC[C@H]2CCCC[C@H]21 2201145413 YHHIGRYJSLXKFL-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CC1(C)CCC[C@@H](C[C@@]2(C#N)CCCC(C)(C)C2=O)C1 2203200681 PXVREAWZCJGXKX-RDTXWAMCSA-N 275.436 4.882 30 10 CJEE CCCCCC#CCN[C@@H](CC)C1CCC(F)(F)CC1 2203784565 DBPMQFFSYZCUFF-INIZCTEOSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](Cc1ccccc1)NCCC 2203793573 WKXKNNADEWFKOM-LJQANCHMSA-N 271.448 4.571 30 10 CJEE CCCCC#CC[C@H](NCC)C(CC)(CC)C(F)(F)F 2203807820 QBSXCGFUTJVNBS-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1ccc(C)cc1F 2203825434 CNHWJGOPIILVIC-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C#C[C@@H](N[C@H]1CCCCCCCC1(F)F)C1CCCC1 2204038935 MPKXJGCHQQTCDI-CVEARBPZSA-N 283.406 4.516 30 10 CJEE C=CCCCCCC[C@H](N)c1c(C(C)C)nn(C)c1Cl 2206886716 UCNAXXZUFBGPOP-ZDUSSCGKSA-N 297.874 4.723 30 10 CJEE C=CCCCCCC[C@H](NCC)c1ccncc1CC 2206902251 IIBIGACEZTUHSN-SFHVURJKSA-N 274.452 4.821 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(O)C=CCCC1 2207371685 AQUDKTRBVUXSRB-SFHVURJKSA-N 278.436 4.724 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1CC[C@H](COC)C1 2207375252 SGNZBOWYZMBHFI-ZWKOTPCHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)C1CC(C)C1 2207378745 VCYGOTGIHUCOMX-HTWSVDAQSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C1(OC(C)C)CC1 2207401369 BLZZXXOCPJTQAD-QGZVFWFLSA-N 281.484 4.968 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](O)C1CCCC1 2207403074 GLGGZKGWOYEYAD-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@]1(N)CCC[C@@H](OCC)C1 2207414150 NFBDMMZYTDEPLY-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1CC=C[C@@H](N)C1 2207426071 XFXXSTMYYAIIAN-IAGOWNOFSA-N 277.452 4.546 30 10 CJEE C=CCCCCCCCCOCC[C@H]1CCCC[C@H]1N 2207427403 MIESYWUZKBPORP-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](OC)C1CCC1 2207432145 MJHMXRRGUSEMSS-ROUUACIJSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1ccc(Cl)c(C)c1 2207447707 HNVFZNGQFCBLPP-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CC(C)P(=O)(C(C)C)[C@@H]1CCCCC[C@@H]1C#N 2212792773 YERGITYJIAKGRV-ZIAGYGMSSA-N 255.342 4.639 30 10 CJEE CCCCC[C@H](C)Oc1cccc(Cl)c1C#N 2215135084 HIUBPHMKAAFEFN-NSHDSACASA-N 251.757 4.559 30 10 CJEE C=CCCCCC[C@H](CCCC(F)F)NCCC 2222477489 PMDJHNPNULEACR-CQSZACIVSA-N 261.400 4.927 30 10 CJEE FC(F)(F)[C@H]1CCC[C@H](OCCCCCCS)C1 2223492387 NIAKWMGSQJPTDH-RYUDHWBXSA-N 284.387 4.614 30 10 CJEE C=CCCCCCCN(C)C[C@@H]1CC[C@@H]1C(F)(F)F 2224470314 YURISTAIZIPMTJ-KBPBESRZSA-N 277.374 4.643 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225311605 QHPWFHPLHMLGQO-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCOC[C@@H](N)C[C@H](C)CC 2225682700 WPGZJFKJUOMWAO-SJORKVTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)O1 2226887641 MYPCRLFASOORAB-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE C[C@@H]1O[C@H](C)C[C@@]1(C=O)CCCCCCCC1CC1 2230875541 OEDUHBMXWDLRCF-HLLBOEOZSA-N 266.425 4.510 30 10 CJEE CCCCCCCCCCOC1(CO)CCCCC1 2231033192 NRVLERUHWNFHCL-UHFFFAOYSA-N 270.457 4.839 30 10 CJEE C=CCCCCCCCN[C@H]1CCCO[C@H]1C(C)(C)C 2235514665 WRLQFMFURRMXKF-DLBZAZTESA-N 281.484 4.696 30 10 CJEE CN[C@@H](C#Cc1cccc(Cl)c1)CC1CCCCCC1 2239467005 FQDQMRMYXKICHK-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)C(CC)(CC)CC 2239561418 IHBVCCBTRSAJEG-KRWDZBQOSA-N 291.866 4.886 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccccc1C(C)C 2240099836 IMYCACUKGJMWEJ-DLBZAZTESA-N 273.464 4.933 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)CCC[C@@H](C)O1 2240101277 MXMPAHKVPAHCHG-SJLPKXTDSA-N 281.484 4.817 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1cccc(C(F)F)c1 2240148041 SQXVZONUGYWVTM-UKRRQHHQSA-N 281.390 4.747 30 10 CJEE C=CC[C@@H](C)Oc1c(C)cc(CN[C@H](C)CC)cc1C 2240234835 NSDDIBVJFXEYBU-HZPDHXFCSA-N 275.436 4.535 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H]1CCC[C@H]1C 2240561626 YVLVLINKPQUFOV-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)c1cnn(C)c1C(C)C 2240618606 VHGYNLCFGTZQGP-KRWDZBQOSA-N 280.456 4.502 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C=C1CCC1)NCC 2240639690 IEWXBQPCQNUXLP-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCCCCCCc1sc(N)c(C(=O)OC(C)C)c1C 2240657755 NKDYUXWXUJQIAX-UHFFFAOYSA-N 297.464 4.717 30 10 CJEE C=C(C)CCCC[C@H](O)c1c(C)cccc1Br 2250156565 MZYCPTQEMPESQH-AWEZNQCLSA-N 297.236 4.927 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(C)c1Cl 2250157242 VFSQENWNCMVPFK-CQSZACIVSA-N 251.801 4.785 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)C1CCC1 2255369655 XTZIBIHOKJYDSK-LLVKDONJSA-N 283.202 4.654 30 10 CJEE CC(C)=CCC[C@H](C)CCOCC#C[Si](C)(C)C 2257263135 UAACQBKFIISQSN-INIZCTEOSA-N 266.501 4.656 30 10 CJEE CCCCCCCNc1cc(F)c(F)c(F)c1F 2257489294 LWZFSKYHWNZIAC-UHFFFAOYSA-N 263.278 4.625 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCC[C@@H]2C(F)F)CC1 2257838319 AQZIVRHYRQHMLD-ICRTXTNUSA-N 255.352 4.778 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](CC)CC[C@H]1C(=O)O 2259238059 QXDARGGWHTZOBL-RBSFLKMASA-N 252.398 4.650 30 10 CJEE Brc1ccc(C#CCC=Cc2ccccc2)cc1 2264119723 MGWZLGRLHMASKH-UHFFFAOYSA-N 297.195 4.904 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264989841 LPEBEOWXDRHHCT-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CC1CC(CS)(CSc2nccc3ccccc23)C1 2265303910 IKKLFNWMQNCGCC-UHFFFAOYSA-N 289.469 4.673 30 10 CJEE O=C[C@@]1(CC[C@H]2CCCC23CC3)CCCCC12CC2 2266730063 SLLLBDWOTPZWDZ-QAPCUYQASA-N 260.421 4.886 30 10 CJEE Cc1ccc(C#N)c(NC(C(C)(C)C)C(C)(C)C)c1 2266821854 BVADDLVRSCSOBG-UHFFFAOYSA-N 258.409 4.739 30 10 CJEE CCCc1ccc(C[C@]2(C=O)CCCC2(C)C)cc1 2268251485 YSHJJDUBCGWIPC-SFHVURJKSA-N 258.405 4.577 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C(=O)CC=CC#CC(C)(C)C)C1 2268742551 OSQDWJYRJBSHRZ-ZSHCYNCHSA-N 260.421 4.624 30 10 CJEE CC1CCC(C)([C@H](O)CC=CC#CC(C)(C)C)CC1 2268794467 TVVQCUWXPUOFLO-UPTPFMHGSA-N 262.437 4.560 30 10 CJEE C=CCC[C@@H](C)c1cccc(C(F)(F)C(F)(F)F)n1 2271186052 PPZJQNJSQAOXCV-SECBINFHSA-N 279.252 4.805 30 10 CJEE C=C(C)CCCCN1CC=C(c2ccccc2)CC1 2271755948 YQLJDZLEKUSDNP-UHFFFAOYSA-N 255.405 4.522 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC12CC(F)(F)C2 2271834036 YNFUDSOTJIBSIF-KBPBESRZSA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@H](NCC)C1CC2(CC(F)C2)C1 2272134832 ZTILVSZRSSZROG-PYCMUAIMSA-N 269.448 4.853 30 10 CJEE C[C@H]1CC(=O)C=C(c2cccc(C3CCCC3)c2)C1 2273529631 GKXFLJUZOPONQJ-CYBMUJFWSA-N 254.373 4.727 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(O)C#CC1CCCCC1 2274071909 MBRCIFWZFLMHTD-AEFFLSMTSA-N 262.437 4.538 30 10 CJEE CCCC[C@](CC)(CC#CC1CCCC1)CNCC 2274164282 IWEKNOQWSCJWBR-GOSISDBHSA-N 263.469 4.766 30 10 CJEE CCCCCCCCCCCC[C@H](C)OCC(=O)O 2274765710 QTINEUQVBSMTSP-HNNXBMFYSA-N 272.429 4.787 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)CC)OCC(=O)O 2275409827 XOSDDATYPCGBKS-CABCVRRESA-N 272.429 4.643 30 10 CJEE C=CCCCCC[C@](C)(CCC(C)C)OCCCN 2276213389 NADCHKQKEUVMJQ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccc(C)s1 2276213668 PFBJPIXKSRZTGO-OAHLLOKOSA-N 281.465 4.600 30 10 CJEE CCCCCCC[C@H](CCCC1CCC1)OCCN 2276261001 HFKQVHLFLGHREL-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE C=C(C)CCNc1ccc(Cc2ccccc2)cc1 2277461600 JLYVJJIXQAMSOP-UHFFFAOYSA-N 251.373 4.656 30 10 CJEE CC(C)[C@@H](CCC(F)F)Nc1ccc(C#N)cc1Cl 2278802124 CWLJZIHTTMCWQL-GFCCVEGCSA-N 286.753 4.693 30 10 CJEE CCCC#C[C@@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279613554 VRLXYBXGWDBYSA-RBSFLKMASA-N 289.385 4.527 30 10 CJEE O=C(C=Cc1ccccc1)[C@H]1CC[C@H](C(F)(F)F)CC1 2279730811 BCUWWYKKWYPVGS-HDJSIYSDSA-N 282.305 4.638 30 10 CJEE C=CCc1cc(N)ccc1OCC[C@@H]1CCC[C@@H](C)C1 2279894538 LVLUDHPIZYAGSY-CABCVRRESA-N 273.420 4.593 30 10 CJEE CCNC[C@@H]1CCCCC[C@@H]1CC=CC#CC(C)(C)C 2284072407 DXAKUJDAVUTVFV-MSOLQXFVSA-N 275.480 4.788 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@H]2O 2287177712 JXYJAOHDIPGAFJ-MRXNPFEDSA-N 291.460 4.680 30 10 CJEE CCCCCC#CC[C@@H](NCC)c1csc(C)c1OC 2287256210 FLZKMRWDBQPYAF-MRXNPFEDSA-N 293.476 4.690 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(OCC)c1 2287415485 UWXYFEPUBHEAOV-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CC(C)CCC[C@H](C)CCNc1ncc(C#N)cc1Cl 2287985799 MBUZIUQVOIFYSL-ZDUSSCGKSA-N 293.842 4.871 30 10 CJEE C#CC1(NCC2CC(C)(C)CC(C)(C)C2)CC(C)(C)C1 2288208122 NJFXTOWGJVLLAG-UHFFFAOYSA-N 275.480 4.621 30 10 CJEE N#C[C@H]1CCCC[C@H]1Nc1cccc(C2CCCC2)c1 2289165291 DUGZYZWHIZJYNX-SJLPKXTDSA-N 268.404 4.838 30 10 CJEE O[C@]1(C#CC2CCCCC2)CCCC2(CCCCC2)C1 2289772808 NYMOHQRSHFEAIH-IBGZPJMESA-N 274.448 4.826 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)[C@@H](CC)CCC 2291426921 TXFJEFWBYOBJKP-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE C=CCC[C@](C)(CCCCC[C@H]1C[C@@H]1C)OCCCN 2292737938 STJINJBGKOOUTJ-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE Cc1ccc(C=CC(=O)C=Cc2ccc(C)cc2)cc1 2293039508 GPAAWNJDOIZWQD-UHFFFAOYSA-N 262.352 4.599 30 10 CJEE CCCCCCCC[C@]1(OCCN)C=CCC(C)(C)C1 2294594646 MODLGDGIXNLHIR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE O[C@]1(C#Cc2ccccc2Cl)CCCCC12CCCC2 2295233088 XACDQWQROJRVCP-SFHVURJKSA-N 288.818 4.557 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(CC)CCCC 2295523516 ZTCWOJGTTAMUFF-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H]1CC[C@@H](C)C1 2295597661 YEZXGPOQEHOHQK-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1cncn1C 2295675323 AFFYFDUMQQLGDG-JKSUJKDBSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]12CO[C@](C)(C1)C2 2295676484 LDDAMGSFRCPSQA-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE C=CC[C@H](CC)NCCCCCCCCCCC(=O)O 2296305438 UBMVBFFCSMICHL-INIZCTEOSA-N 283.456 4.526 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@]1(F)C[C@@H]1C 2312410108 OHGUDUREKXRLAP-ARFHVFGLSA-N 255.421 4.629 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C)cc1SC 2319607610 AHONUSMKTVDTTF-HNNXBMFYSA-N 263.450 4.724 30 10 CJEE C=CCC(C)(C)[C@H](CC1(CCC)CC1)NCCC 2321116797 LEPALNYGHMVAMX-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(C)c(Cl)c(C)c1 2321220696 UZFNQBABJXTBEZ-CVEARBPZSA-N 266.812 4.983 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(CSC)c1 2321228245 LGJWBERROHFAAB-CVEARBPZSA-N 264.434 4.575 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC[C@@H]2CCC(C)(C)C2)C1 2321579281 WQGWJWFJBFFBRZ-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2325246350 BAAPRQSHFLHZSB-LKFCYVNXSA-N 290.209 4.995 30 10 CJEE C=C([C@@H](NC)c1c(Cl)cc(C)cc1Cl)C(F)(F)F 2327873442 ROEUYSJSHIUCFU-LLVKDONJSA-N 298.135 4.681 30 10 CJEE CCC(C)(C)CCNc1ccc(C#N)c(SC)c1 2328523845 SQQBXXOFJIKPBV-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333706222 INLLZUSWWCATPV-KBXIAJHMSA-N 271.395 4.522 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)OCCCN 2334983831 KOOAUZWLXPUYNQ-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC[C@@H](NCCC)[C@H]1C 2335187974 NBOVKGWAFDVKIC-DJIMGWMZSA-N 281.509 4.797 30 10 CJEE CCCCCCCC[C@H](O)c1snnc1C1CCC1 2335779467 INHIGHJLPXVZQE-ZDUSSCGKSA-N 282.453 4.590 30 10 CJEE CC(=CC[C@]1(C=O)C[C@@H](C)O[C@H]1C)CCCC(C)C 2338451326 BWXNCTYOYLCLAH-IXDOHACOSA-N 266.425 4.532 30 10 CJEE C=CCC(CC=C)N(C)CC1CC(CC(C)(C)C)C1 2338706454 XSLYROMAKBEMKC-UHFFFAOYSA-N 263.469 4.901 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CC2CCC1CC2 2338741331 MUWYXAYDXNGVGF-RLNQZENFSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CC2CCC1CC2 2338741332 MUWYXAYDXNGVGF-UQVLAFNGSA-N 261.453 4.559 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2339021374 BKOWSPMIXQCKBX-ICUGJSFKSA-N 262.437 4.988 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2339572471 NZRODUPYGCDOIX-NHYWBVRUSA-N 296.241 4.694 30 10 CJEE SCC1(CO[C@@H]2CCCC[C@H]3C[C@H]32)CCCCCC1 2341591512 INJXWORQFTUCPU-ARFHVFGLSA-N 282.493 4.852 30 10 CJEE CC1=C(C)C[C@H](C[C@](C)(C=O)c2ccccc2)CC1 2343443861 HPVFXHMGMYJXQX-SJLPKXTDSA-N 256.389 4.670 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cccc(C(C)C)c2)C1 2343758594 FXTWTRMDASLECY-YJBOKZPZSA-N 258.405 4.748 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1cccc(C(C)C)c1 2343797420 SJZWMZXVPGLQBH-SFHVURJKSA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(C(C)C)cc1 2344383244 HYNLKQVSLTWFRM-MSOLQXFVSA-N 259.437 4.672 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@H]1c1ccccc1 2344473766 MOCJEHBESDNYAK-FJIDUMEYSA-N 258.405 4.534 30 10 CJEE CCCCN(c1ccc(C#N)c(SC)c1)[C@@H](C)CC 2353837828 LDEJROFTBJAOEG-ZDUSSCGKSA-N 276.449 4.685 30 10 CJEE CCC(CC)CCN(C)c1ccc(C#N)c(SC)c1 2353837957 MPOKTMBSPCYANN-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CC(=O)/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 33856242 QJXPJNBLAHITGA-RQOWECAXSA-N 281.138 4.856 30 10 CJEE C[C@H](CCc1ccccc1)Nc1ccc(Cl)c(C#N)c1 36973272 FOYJNYPJRIWPOW-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE N#CCCCn1c(-c2cccc(Cl)c2)nc2ccccc21 57868882 FJVHQFKNFNFJJZ-UHFFFAOYSA-N 295.773 4.660 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(Cl)s1 59526002 JWVAHHDBTVFKNE-LLVKDONJSA-N 288.840 4.960 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(Cl)cc1 59526324 MNVWOAXZPLDDPL-UHFFFAOYSA-N 282.811 4.900 30 10 CJEE N#CCCCCN(Cc1ccccc1)C1CCCCC1 60332691 OIZIEUFCSCEAFC-UHFFFAOYSA-N 270.420 4.515 30 10 CJEE CCc1sc(-c2ccccc2OC(C)C)cc1CC#N 77096877 MHEUYMWBPORDQJ-UHFFFAOYSA-N 285.412 4.831 30 10 CJEE N#CC1(Cc2sccc2Br)CCCCCC1 83779011 VAGUBTNEZTUALB-UHFFFAOYSA-N 298.249 4.917 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 86942425 RYCYZEYNGBBVLO-JKSUJKDBSA-N 286.419 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4.656 30 10 CJEE CCCCCCCCCC[C@@](C)(O)c1ccc(F)cn1 150136002 WZIRZWDVENZUKK-QGZVFWFLSA-N 281.415 4.959 30 10 CJEE C=C[C@H](C)N[C@@H](c1ccccc1)c1ccc(C)cc1C 159755820 AVDKWJXMHQYOMQ-LPHOPBHVSA-N 265.400 4.557 30 10 CJEE Oc1ccc(SCC#Cc2ccccc2)c2ccccc12 163417462 HVAFDTKAVNVJTK-UHFFFAOYSA-N 290.387 4.689 30 10 CJEE CCCCCCCCCC[C@]1(O)CCN2CCCC[C@@H]21 169193820 CEXSLGJOYVBVHW-MSOLQXFVSA-N 281.484 4.507 30 10 CJEE C/C1=C\C(=O)c2ccccc2Oc2ccc(O)cc2CCC1 203764680 GFHUIJCFCRAKLH-ACCUITESSA-N 294.350 4.650 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCC[C@@H]2C(C)C)c1 214739045 XLCNUJLSWHXYNL-SJORKVTESA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCNC[C@H](O)CC(C)(C)C 226099461 REYVKHYFOPXOBC-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE CC(C)(C)c1ccccc1Nc1cccc(C#N)c1 227619503 WTQUEBVYOADSFB-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE CCCCCCCC[C@@H](Cc1nccn1CCC)NCC 228652011 GDIDTLIKUHKOQF-KRWDZBQOSA-N 293.499 4.564 30 10 CJEE CCCCCCC[C@H](Cc1c(C)cccc1C)NC 229050951 GZDLHMHZBBXTGN-QGZVFWFLSA-N 261.453 4.794 30 10 CJEE C=C(C)[C@H](NCCC)[C@@H](c1ccccc1)[C@@H](C)CC 229750574 UTNBDMGEVACOOM-JQHSSLGASA-N 259.437 4.761 30 10 CJEE CCSc1cccc(Oc2cc(F)ccc2C)c1C#N 230442733 NGQRSUSABQHZHM-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE CCCCCCCCC[C@@H](CC1CC(OCC)C1)NC 232178387 ZPJCNQBQFNDLCZ-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCC[C@@H](CS)COc1ccc([C@H](C)CC)cc1 232360697 KBVCZZZGHFHBEC-ZIAGYGMSSA-N 266.450 4.925 30 10 CJEE CCC[C@H](CS)CSCc1ccccc1Cl 233355464 CNYXMJFMKPBEIV-LLVKDONJSA-N 274.882 4.919 30 10 CJEE CC(C)(C#N)CC1CCC([C@H](F)C(F)(F)F)CC1 261042678 DBOZBUAGNAPHOF-ILDUYXDCSA-N 265.294 4.633 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCO[C@H]1CC 300620906 YFTJVDKTNLAKAH-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@]1(C)[C@H](CNC2CC2)C1(C)C 302399297 JUQLMBOXQWMJNI-NVXWUHKLSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CCC[C@H]([C@]2(C#N)CCc3ccccc32)C1 311371542 IYBFMZQJZKKYHT-UWWQBHOKSA-N 253.389 4.611 30 10 CJEE CC#CCCC1(CNCC)CCC(C(C)(C)C)CC1 317267758 NHYQZDDNDIUUEW-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)CCC[C@H]1C 317725499 HKLTWZGNRUUUJW-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CCO[C@@H]1C[C@H]([C@@]2(C#N)CCC[C@H](CC)C2)C1(C)C 378697410 GXFCAWGMBZKILO-MPTYRVRUSA-N 263.425 4.548 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC2CCC1CC2 382524910 XLGGRGLXWVTEOD-HIEASXQVSA-N 263.469 4.927 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@H](C2CCCCC2)CS1 386163865 XARXSSADOABGEU-HOTGVXAUSA-N 296.524 4.987 30 10 CJEE Cc1ccc([C@H](C)N(C)[C@@H](CC#N)c2ccccc2)s1 387431783 QGARSJPZBPLVLQ-HOCLYGCPSA-N 284.428 4.704 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)c1ccc(CC)cc1 389152228 WCQSDPQMZRZIPJ-QGZVFWFLSA-N 259.437 4.892 30 10 CJEE CC[C@H](/N=C1/N[C@@H](C2CCCC2)CS1)C1CCCCC1 395066188 ILCNQZPLVHGXSN-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE Cc1ccc(C)c(SC[C@@H](C#N)C2CCCC2)c1 397330314 JMCTUZKNIZYRBW-OAHLLOKOSA-N 259.418 4.726 30 10 CJEE CCCCCCCCCC[C@](C)(F)[C@H]1CCCN1 400405046 RAPSMLLKHPIDCG-CVEARBPZSA-N 257.437 4.997 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H](C)CC(F)(F)F 402978226 FVIJOCXNTNQEDV-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]2C[C@H]2C1 403433516 ZJDHZHFQXMLPAH-NCOADZHNSA-N 251.458 4.761 30 10 CJEE Cc1c(Cl)ccc2c(C3=CC[C@@H](C#N)CC3)c[nH]c12 527405028 SKAAYORAEDTDND-LLVKDONJSA-N 270.763 4.837 30 10 CJEE C=CCCc1ccccc1NC(=O)CCc1cccc(C)c1 548838024 DQLPGUPAEQHVDP-UHFFFAOYSA-N 293.410 4.685 30 10 CJEE CC1(C)OB(C=C2CCC(C3CCC3)CC2)OC1(C)C 575597393 FHAUPSSCSAXCQY-UHFFFAOYSA-N 276.229 4.535 30 10 CJEE C#CCCCCC[C@H](C[C@H](C)C(C)(C)C)NCC 686686462 JPJFNEZYNBKEHH-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2ccc(F)cc2s1 686690931 DAFLXMWQFAUDBX-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/NC2(CCCCC2)CCS1 687319792 JGRDTBVUBWXJRO-CQSZACIVSA-N 296.524 4.987 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]12CCC[C@@H]1OCC2 687358420 WVWNQKHGFJGXSA-BZSNNMDCSA-N 282.468 4.837 30 10 CJEE Cc1ccc(C#N)c(NCc2ccc(Cl)c(Cl)c2)c1 689226414 ZZSPMRMKLHFKSM-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)(C#N)CCCCNCc1cccc(Cl)c1Cl 693629696 JWRJSFATGULJGF-UHFFFAOYSA-N 299.245 4.803 30 10 CJEE C1CCC(CCC/N=C2/NC3(CCCCC3)CS2)CC1 694074446 AOGKBUYTZHAABJ-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCCCCCCCCCCC[C@@H](C#N)C(=O)OC 695736120 CUUJYBQTSPDXPG-HNNXBMFYSA-N 267.413 4.610 30 10 CJEE C=CCCSCCN[C@@H]1CCC[C@@H](CCC)CC1 696138723 GLQYTSXWJHRFEX-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE CCCCCCCCCc1ncc(CNCC(C)C)o1 703753053 QSSAOVFAEVLDNM-UHFFFAOYSA-N 280.456 4.713 30 10 CJEE C=CCCC(C)(C)CN[C@@H](c1cccs1)C1CC1 703995590 IVZXLJGZTLBWDU-OAHLLOKOSA-N 263.450 4.781 30 10 CJEE C[C@H](C[C@]1(C=O)CCCc2ccccc21)C(C)(C)C 711206731 HGRYXIGUBXEKSP-KDOFPFPSSA-N 258.405 4.532 30 10 CJEE C=CC[C@@H](C)Nc1ccc(OCc2ccccc2)cc1 715039317 MJYHNRIUVFGRLQ-OAHLLOKOSA-N 267.372 4.642 30 10 CJEE C=CC[C@H](C)c1c(O)c(Cl)cc(Br)c1F 715707936 DAFUPTNJAAACDF-LURJTMIESA-N 293.563 4.627 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 715812315 HGVCKYLQGBNRNJ-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CC(C)(C)CO1 717095334 RGMXQFSZGLPCAT-JKSUJKDBSA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@@H](C)NCc1nc(C)c(C)s1 719531465 UGGWVDTXPZWCAG-GFCCVEGCSA-N 268.470 4.599 30 10 CJEE CC[C@H](Oc1ccc(C(F)(F)F)cc1C#N)C1CCC1 719793393 GTMLWXORUIGDGV-ZDUSSCGKSA-N 283.293 4.535 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2(C)CCCCC2)C1 720385746 JDIPYYMRDLNOJL-ZACQAIPSSA-N 276.468 4.750 30 10 CJEE C=CCN(c1ccc(CNCCC)c(Cl)c1)C(C)(C)C 723174686 RDBRSNCHVXFWOM-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(C[C@H](N)c2csc3c2CCCC3)CC1 724557324 CWBURQJVHUONHG-INIZCTEOSA-N 275.461 4.763 30 10 CJEE C=C1CCC(C[C@]2(CNC3CC3)C[C@H]3CC[C@H]2C3)CC1 724608386 WEVQCYPLZKBBIB-JENIJYKNSA-N 273.464 4.681 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1C[C@H](C)O[C@H](C)C1 724885854 ZXXAYYIKGVCALX-ZSHCYNCHSA-N 268.441 4.900 30 10 CJEE C=CC[C@H](OC(=O)CCCC(F)(F)F)c1ccccc1 778737458 NYWDMMIHIRWWMM-ZDUSSCGKSA-N 286.293 4.580 30 10 CJEE C=CCCC[C@H](N[C@H](C)c1cc(C)on1)c1ccccc1 883327288 VTVVZXIYTLENBN-WBVHZDCISA-N 284.403 4.731 30 10 CJEE C=CCN(CCCc1ccc(Cl)cc1)C(C)(C)C 1174632694 QGHLCQBMANQYKT-UHFFFAOYSA-N 265.828 4.559 30 10 CJEE C=CCOc1ccc(CNC2CCC(C(C)C)CC2)cc1 1178700660 WZZHXUISSUWXQL-UHFFFAOYSA-N 287.447 4.556 30 10 CJEE C=CCn1c(S[C@@H]2CC[C@H](C)C2)nc2ccccc21 1188053912 SISWUTOOWXXFIH-QWHCGFSZSA-N 272.417 4.503 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccc(CC(C)C)cc2)c1 1192140319 SXOSUJQNILQTAK-UHFFFAOYSA-N 291.438 4.893 30 10 CJEE C=CCCCCCCNC(=O)N1CCC(CC(C)C)CC1 1228040550 JKNRDMFTHQSONZ-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE CCCCCCC[C@H](C)NCCCC(OCC)OCC 1258042451 NZIZDQLHBYVUPS-INIZCTEOSA-N 287.488 4.504 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](C)c1cc2ccccc2o1 1354054475 HYJYLCVYRDAEOM-HNNXBMFYSA-N 299.414 4.741 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CCCCC)C(C)C 1436485430 BKJFQDSKNNIQRU-HNNXBMFYSA-N 267.457 4.557 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@](C)(CC)CCCCC 1460380886 YXUURZOMWYVCKO-KRWDZBQOSA-N 267.457 4.702 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C)c3ccccc32)CCCCC1 1461035060 FSWKEDSBQOLLTB-OAHLLOKOSA-N 283.415 4.663 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(F)cc1C(C)(F)F 1462345698 TUYZBOCFZORCAR-UHFFFAOYSA-N 297.320 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281.484 4.804 30 10 CJEE CCCCCCCC[C@]1(C)[C@@H](NC)CCN1[C@@H](C)CC 2240639381 DYLMSMJOGREYGG-OKZBNKHCSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NCC)C(C)=C(C)C 2240667818 ZOQJBYQPETZNKR-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCCOC[C@@H](NCc1ccccc1)C(C)C 2241942698 LGOXTBCZNPMRID-LJQANCHMSA-N 289.463 4.564 30 10 CJEE C=C(C)CC[C@@H](N)c1sc(Cl)cc1Br 2242106555 SVJRQIWVYHWNPG-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE Cc1ccc(Cl)c(OCCCCCCCS)c1 2252620276 DJBQRRQFRAJICV-UHFFFAOYSA-N 272.841 4.908 30 10 CJEE C[C@H](NCC=CC#CC(C)(C)C)c1ccc(Cl)s1 2256776133 MYYJNDSYTJHTAE-LBPRGKRZSA-N 281.852 4.658 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@H]2N 2257316541 RRQBEHMRZPICBN-QKPAOTATSA-N 255.421 4.593 30 10 CJEE CC1(CSC[C@@H](CS)C2CC2)CC(C(F)(F)F)C1 2259114226 YPPODYZFXUAJLS-VOMCLLRMSA-N 298.439 4.654 30 10 CJEE C=C(C)CCCC[C@H](N)C1CCC(C(C)C)CC1 2259212434 PEXUCYWKTIDIBH-JCYILVPMSA-N 251.458 4.913 30 10 CJEE CCCCCCCCC[C@](C)(CNCC)OCC 2263646944 JGBDIZBHVFYXJM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CC(C)(C)C(N[C@H]1CCCCC[C@H]1C#N)C(C)(C)C 2266908075 FKAVVUFGPQDQIK-KBPBESRZSA-N 264.457 4.509 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(OC)c2Cl)CC1 2268079194 WJQXMBWXAXJRMN-AWEZNQCLSA-N 280.795 4.519 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(N)CCCC(C)(C)CC1 2268765348 HWTIUDHSEMIRFW-GOSISDBHSA-N 261.453 4.670 30 10 CJEE CC#CCCCC[C@H](NCC)c1csc(Cl)c1OC 2268928557 NMHYPXXORAIFPX-ZDUSSCGKSA-N 299.867 4.644 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@]1(C)COC 2269292391 POPUPAPEKYDFKO-NVXWUHKLSA-N 268.441 4.759 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CCCCCC1(F)F 2271783993 AKSGAMBBGVATIM-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CC(C)CCC[C@H](C)CCNC[C@@H](C#N)C(C)(C)C 2272247520 LNCDFLXXXXLGBP-JKSUJKDBSA-N 266.473 4.614 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)C[C@H](C)O[C@@H]1C 2272347475 HTWKNTQGJHJBMY-MWDXBVQZSA-N 265.441 4.936 30 10 CJEE CCCCCCCO[C@H]1[C@H](N)C(C)(C)CCC1(C)C 2274458127 NPIRADZKPGSJQG-GJZGRUSLSA-N 269.473 4.516 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@@H]2N(CCCCCCCS)C1 2277500410 CWSCKBMMPDETGE-IKGGRYGDSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279601159 JHOGPIXRPORVSJ-KBUPBQIOSA-N 291.401 4.936 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCC(F)(F)F 2284179861 RNVTYVGESKSJJI-AWEZNQCLSA-N 289.385 4.693 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1COC2(CCC2)C1 2284728570 OWIDQJLRGZNJBU-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C(F)F)n[nH]1 2287373997 ANLZVNLBKQYKBC-GFCCVEGCSA-N 285.382 4.525 30 10 CJEE C=C(C)CCCC[C@H](O)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2287414759 RIIDRUPEPXLBEQ-UYTSQGDYSA-N 286.406 4.945 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)C[C@@H](C)O[C@@H]1C 2287467608 OSVUNMNZJRRXBL-JFIYKMOQSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@]12CCC[C@H]1CC2 2289002650 JJIAXENPNMUPEJ-BZSNNMDCSA-N 280.500 4.929 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCCC[C@H]1CC 2289839380 CHBCGCLESDNEJY-GUDVDZBRSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@](C)(CCCCF)OCCC(=O)O 2291447300 CAEVLBOSSVDMMV-INIZCTEOSA-N 290.419 4.737 30 10 CJEE C=CCCCCCCCCC[C@@](C)(OCCN)C1CC1 2292567868 JESKOFIWBHZAJH-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@@H](C)C1CCCCC1 2293137908 FWFSVGWOBUQAHF-BQFCYCMXSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1ccc(C)cc1Cl 2293289365 NNNCYIKPXHLMGD-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE C=CCC[C@](C)(CC1CCC(C)(C)CC1)OCCCN 2293403987 DPFZPVQYFSOIJY-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=CC1CC(N(C)Cc2c(C)c(C)c(C)c(C)c2C)C1 2294682579 KPPTYSPBDIRSAE-UHFFFAOYSA-N 271.448 4.625 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc2cccc(Cl)c2n1 2294980176 XIGNRVXZRSUQPY-LRDDRELGSA-N 288.822 4.751 30 10 CJEE CCCCCCCCC[C@H](C)N(C)CCCCCCN 2295538784 NUIIRLVTBCSUHU-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nnc(C(C)C)s1 2295578398 HRMBWNTWZIYNTO-INIZCTEOSA-N 297.512 4.976 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1CCC[C@H]1C 2295604407 WTKYZAGQMIZQSZ-RYRKJORJSA-N 282.468 4.883 30 10 CJEE C=C(C)C[C@H](NCC)[C@](C)(O)CCCCCCCCC 2295679988 VCKZQKFLVNKREG-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@](C)(CC)C(F)F 2315006351 VJMMMVVDXGCBNR-HIFRSBDPSA-N 261.400 4.782 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(Cl)ccc1C 2316750971 ZAJKBUUWMOFTHL-MRXNPFEDSA-N 263.812 4.677 30 10 CJEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324129453 GGXMINHUYKSEJQ-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=CC1(CNCc2cc(F)c(Cl)cc2Cl)CCC1 2325171831 AEAUCLPEUMYNMZ-UHFFFAOYSA-N 288.193 4.578 30 10 CJEE CC(C)C[C@@H](CS)CO[C@@H]1CCC2(CCCC2)C1 2328527589 JMDSRTPKCXXYPG-HUUCEWRRSA-N 270.482 4.708 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1c(F)ccc(C)c1Cl 2335402416 AAYPWKLTSGVWRD-INIZCTEOSA-N 276.738 4.534 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cnc(C(C)(F)F)s1 2335679015 HXLZYGHRRFVLRI-CQSZACIVSA-N 289.391 4.583 30 10 CJEE CC[C@@]1(C)CSC(=Nc2cc(C(C)C)ccc2C)N1 2337622463 PKDSBXFOUVZWOC-INIZCTEOSA-N 276.449 4.611 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC)CCCC12CCC2 2338742254 USCHESDQKJUFNA-SFHVURJKSA-N 261.453 4.705 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C(F)(F)C1CCCC1 2338748068 WLMRMLIEEBVSPV-HNNXBMFYSA-N 271.395 4.558 30 10 CJEE CCN[C@@H](C#CC1CCC1)c1ccc(Cl)c(Cl)c1C 2339153129 MPJUHHJPAXWHSI-HNNXBMFYSA-N 296.241 4.756 30 10 CJEE O=CC1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCCCCC1 2339276297 YFRZMEUQDRUKEW-ZACQAIPSSA-N 260.421 4.908 30 10 CJEE C#Cc1c(F)cc(N[C@H](CC)C[C@H](C)CC)cc1F 2344191469 PGJDIRKSEWUMCQ-VXGBXAGGSA-N 265.347 4.573 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@@H]1C1CCCCC1)NCC 2344345697 OIQBEEYJWWHSBT-HPBDAGMYSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC[C@H]1C(F)F)NC 2344370282 AEPXHFWDICZULX-NYTXWWLZSA-N 273.411 4.638 30 10 CJEE CC1(C)CC[C@@H](CCOc2ccc(C#N)c(Cl)c2)C1 2344883010 SHBXMDVMIJSSNZ-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1C[C@@H]2CC[C@H]1O2 2355048943 DFSBCIHPJGEEFJ-VSZNYVQBSA-N 281.484 4.802 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CC[C@@H]1C[C@@H]1C)NCCC 2358707679 KCRLCEDWDQUUPA-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(CCC)cc1 2360324484 PYMWFORZQUKMKL-YJBOKZPZSA-N 291.504 4.988 30 10 CJEE Cc1ccc(-c2nc3c(C)cccn3c2[C@H](C)C#N)c(C)c1 31915984 IDSANYLRVHGOOU-OAHLLOKOSA-N 289.382 4.554 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)C2CCCCCC2)C1 36328522 UKBRQMBZBCACRI-LZLYRXPVSA-N 276.468 4.750 30 10 CJEE C=CCOc1ccccc1CNc1ccc(Cl)cc1F 37297078 SXVWFDSNRZNMBL-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1c(Cl)cccc1Cl 37938060 KPPXPYFWEXILDJ-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)CC2CCCC2)cc1 38137843 ZATPKYQRQGRHEQ-KRWDZBQOSA-N 269.388 4.567 30 10 CJEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1ccccc1F 49671727 GVFYVVKRYHEERH-CYBMUJFWSA-N 295.338 4.530 30 10 CJEE Cc1cc(C)c(C[C@H](C#N)c2ccccc2F)c(C)c1 57760679 IYHNLZMLVOGZQX-OAHLLOKOSA-N 267.347 4.601 30 10 CJEE CCCCCCCCCNc1ccccc1C(=O)O 59022910 WFXRRCAYHZLALI-UHFFFAOYSA-N 263.381 4.547 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ccc(F)cc1 59089755 DWQZGXWWHPNVRS-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE CC(C)Oc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1 77079459 NXGGEVULISLUHC-UHFFFAOYSA-N 283.371 4.923 30 10 CJEE Cc1ccc(N[C@](C)(C#N)c2ccc(F)cc2Cl)cc1 78900400 HZFYUCWRRGLDJA-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(NC2CCCCCC2)CC1 86949536 GOEZIJHZMOTRCT-FUHWJXTLSA-N 276.468 4.797 30 10 CJEE C=C(C)C[C@H](CSc1ccccc1Cl)NCCC 92130034 WQEKAQNBPGNSPN-CYBMUJFWSA-N 283.868 4.767 30 10 CJEE Cc1c(COC(C)C)cccc1NCC(C)(C)CCC#N 92136320 NMJXWXOECNLPSE-UHFFFAOYSA-N 288.435 4.662 30 10 CJEE Cc1nsc(SCCCCCCCCCS)n1 97800159 YGWPJLNGPZPOBO-UHFFFAOYSA-N 290.523 4.599 30 10 CJEE CCCCCC(CCCCC)N[C@H]1CCC[C@H]1C#N 103984003 PHJSEFFMGPPZJI-RDJZCZTQSA-N 264.457 4.797 30 10 CJEE CCCC#CCCc1ccc(OCCC)cc1CC 107661407 WBVYOWCMTOCTLY-UHFFFAOYSA-N 258.405 4.774 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ncccn1 107685811 SWVILMBPDRGDJQ-MRXNPFEDSA-N 277.456 4.658 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(OCC)c(OCC)c1 109786005 MMNLGHCGWYFJQE-MRXNPFEDSA-N 294.435 4.878 30 10 CJEE Cc1c(F)cc(C#N)cc1NC1CCC(C(C)C)CC1 109886322 JSKDPUXKGZKELH-UHFFFAOYSA-N 274.383 4.633 30 10 CJEE CCCCCCC[C@H](C)NCc1cccc(OCC)c1 109896227 IUBXQDBBLCEFJB-INIZCTEOSA-N 277.452 4.924 30 10 CJEE CCCCCCCOC1(CNCC)CCC(CC)CC1 110067698 PGMCXQAKEAXMIS-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCN(C)c1ccc(CN)cc1 110105993 ILHTWDBKVWEUJF-UHFFFAOYSA-N 276.468 4.722 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Br)cs1 112537747 OUKPDCKWWDPHHS-LLVKDONJSA-N 290.270 4.871 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@]1(C)CCCCO1 122024134 OPBLAQKHWODCNN-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 125745615 RAJOUYLPDIAMOC-FGTMMUONSA-N 257.421 4.515 30 10 CJEE CCCCCCCOc1ccc(Br)cc1C#N 128103116 XJTCXIYCDUIGGL-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE CCCCCCCC[C@@H](NN)c1cnc2ccsc2c1 130192996 LADMZNMBDVBZAT-CQSZACIVSA-N 291.464 4.551 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1CCCCO1 134521521 HNBQKDFMSLFMHZ-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE Cc1cc(Oc2ccc(Cl)cc2Cl)c(C#N)c(C)n1 157477045 LGOOIHLZEFJAGL-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(OC)cccc1OC 158096004 DJRJOHAXSHXACA-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE C=C(C)CC[C@@H](O)C(c1ccccc1)c1ccccc1 164485258 YYNUHYKQPMPOSO-GOSISDBHSA-N 266.384 4.536 30 10 CJEE CCCCCCCCCC[S@](=O)c1cc(N)cc(F)c1 165768645 GIEHXFRLVQMSSV-HXUWFJFHSA-N 299.455 4.656 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2c(c1)CCC2 167735907 ATGDTOMYWVQJDC-GOSISDBHSA-N 257.421 4.572 30 10 CJEE N#C[C@H](Sc1ccc(Br)cc1)C1CCCC1 167874918 ILPDTAVAEFPIFV-ZDUSSCGKSA-N 296.233 4.624 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](CN)c1ccccc1 168901360 PJCFHUVVOVTQOM-SFHVURJKSA-N 289.463 4.829 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(F)cc1F 170570351 FHRNTIIQZCTDFO-UHFFFAOYSA-N 297.389 4.835 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C(C)C 189902661 QVZPOEVXYQNCLD-DLBZAZTESA-N 285.431 4.769 30 10 CJEE Cc1cccc(C#N)c1Nc1cc(Cl)ccc1Cl 220982847 JGDBUQQEKPWNIX-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCC(=O)c1ccc(OC)c(Cl)c1OC 224604016 OIIBAQPNINXDSH-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE CCCCC[C@@H](C)Nc1cc(Br)cc(C#N)c1 227610360 YROIWDYJDSKANP-LLVKDONJSA-N 295.224 4.701 30 10 CJEE CC(=O)/C(C)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 231746095 BRBUIVVRKBYJDA-XVNBXDOJSA-N 296.210 4.717 30 10 CJEE CC(C)(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 231791223 ZQHLHBNRPWEIKE-UHFFFAOYSA-N 297.210 4.918 30 10 CJEE Cc1cccc(N[C@H]2CCC[C@@H](CC(C)C)C2)c1C#N 232610493 QQXUPNVGXURYQI-HOTGVXAUSA-N 270.420 4.884 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)c(F)c1)NC 232956553 HUDLDRPZQQYHMW-CQSZACIVSA-N 285.834 4.970 30 10 CJEE CCCCCCCCC[C@@H]1CNCC2(CCCCC2)O1 232963163 YRNJPOGRZPLQTM-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1C[C@@H]1c1ccccc1 234430316 BHWLXALZASNAHK-KURKYZTESA-N 257.421 4.515 30 10 CJEE N#Cc1ccc(NCCC2CCCC2)c2ccccc12 236156598 MYAWYHDYQJLIDP-UHFFFAOYSA-N 264.372 4.704 30 10 CJEE C=CCCCCCC(=O)CSc1cccc(F)c1 236176880 JBDLGWMIHKSXOB-UHFFFAOYSA-N 266.381 4.623 30 10 CJEE CCCCCCCN1C[C@@H]([C@H](C)CC)NCC1(CC)CC 250833430 SLGNDSLYIFPLOO-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC[C@H](C)CCS 252120515 KUAHPOIRGBGFQS-XUWVNRHRSA-N 272.498 4.810 30 10 CJEE CCCCCCCC[C@@H](N)c1c[nH]c2ccccc12 311346947 KMQWZCUNNASOAF-MRXNPFEDSA-N 258.409 4.918 30 10 CJEE C[C@H]1C[C@](C#N)(Nc2ccc(Cl)cc2)c2ccccc21 313458049 CWZOYPKZOSUJQL-YVEFUNNKSA-N 282.774 4.678 30 10 CJEE CCCC1CCC(C=O)(Cc2ccccc2C)CC1 317290235 VHFMQLNYFOTXLT-UHFFFAOYSA-N 258.405 4.713 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccccc2C(F)(F)F)C1 317630451 WHTMWCBKHWAHJE-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1c(F)cccc1Cl 320202118 QROMPSKYMQBKCZ-GARJFASQSA-N 253.748 4.768 30 10 CJEE CCC[C@H](Nc1cccc(Cl)c1C#N)C1CCC1 325064518 YKZYGTDEHWITFA-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCCCC23CCCC3)CC1 380536170 MGEQQCORWHYDOB-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CS[C@@H](C)CCOCCCCCCCCCS 382986315 VDTNBDLLCQUKTA-AWEZNQCLSA-N 278.527 4.805 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCc2ccc(OC)cc2)C1 383379476 SMBVVANTYIVSCC-CRAIPNDOSA-N 271.404 4.738 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cnc(Cl)cc1Cl 384892447 UIZNNDDNTAWXCU-QMTHXVAHSA-N 283.202 4.651 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@@H]2CNC[C@@H]2C1 400927342 MSIHMKWKAZLUDH-IKGGRYGDSA-N 269.448 4.855 30 10 CJEE CCCCCCCCCC(=O)CC[C@@H]1CCOC1 401068813 QXWCOAFAADTGES-OAHLLOKOSA-N 254.414 4.513 30 10 CJEE CCCCCCCCC(=O)[C@H](C)OCc1ccccc1 404512049 PSVOYPRXIWPGNO-INIZCTEOSA-N 276.420 4.911 30 10 CJEE C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccccc1)c1ccco1 531689935 VJOJGWSAUAFCPW-DAYGRLMNSA-N 269.388 4.559 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cccc(C)c1F 686691773 RNCVXCMNWWFLRF-QGZVFWFLSA-N 275.411 4.759 30 10 CJEE CCCCCCCCCC(=O)c1cnn2c1CCCC2 686896728 PYWHATZIXSEXJX-UHFFFAOYSA-N 276.424 4.543 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H]1OCC 690008534 UVLDVDVGXRESBA-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1ccc(Cl)cc1C#N 691060086 ZYOLUXJKZPSURC-WFASDCNBSA-N 276.811 4.617 30 10 CJEE CCCCCCCC1(CNCCOC)CC2(CCC2)C1 691402982 PJRPKNITUXBDHF-UHFFFAOYSA-N 281.484 4.533 30 10 CJEE CCCCCCCCC[C@@]1(C=O)CCOC1(C)C 693332768 MTIMREBPYVPKIV-INIZCTEOSA-N 254.414 4.511 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cc2cscc2s1 693961052 WIBXCYSVLHDJAK-ZDUSSCGKSA-N 284.409 4.948 30 10 CJEE C[C@H]1CC(CNc2ccc(C#N)cc2Cl)C[C@H](C)C1 695265147 MVDOSHJTADLRMK-VXGBXAGGSA-N 276.811 4.696 30 10 CJEE C=CCCSCCN[C@H](C)c1c(C)cc(C)cc1C 696034437 OMZAWRUMBOHBNA-MRXNPFEDSA-N 277.477 4.572 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCC[C@H]1N 696269156 BNSRPMDZKYQHCA-KURKYZTESA-N 283.500 4.786 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](C)CC(C)C 698452839 SBVGKRYNBVRHLO-KKUMJFAQSA-N 296.455 4.596 30 10 CJEE CCCCCCC[C@H](C)NCCSCC(F)(F)F 698942710 GRJHCFKSYBDEKU-LBPRGKRZSA-N 285.419 4.621 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(Cl)cn1 703908033 UOCSCJUOLBVBHU-HNNXBMFYSA-N 282.859 4.746 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1C(C)(C)C 704075965 LKKPTNJRPRDAJC-OAGGEKHMSA-N 268.489 4.641 30 10 CJEE CCCCCCCCCCC1(N)C[C@@H](C)O[C@H](C)C1 704847172 XFWNGNXZKQXRBA-HZPDHXFCSA-N 269.473 4.802 30 10 CJEE CC1(C)CO[C@@H](CC2(C=O)CCC(C(C)(C)C)CC2)C1 708561690 ADUCTGOGZFVIML-SWKXRBFHSA-N 280.452 4.613 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H](C2CCCC2)C2CCC2)N1 711838689 BEHWIVQKDILMLT-NVXWUHKLSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc2c(s1)CCSC2 715832405 YPLRGVNLGRKZEJ-WBMJQRKESA-N 295.517 4.790 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCC2(CCC2)CO1 716532925 MRKBMAUBSYDNJY-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1Nc1cccc(Cl)c1C#N 717552589 FJRDIMYPBHMWFJ-NHYWBVRUSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1scnc1Cl 722018628 IJQKTJBCEKOEBZ-GFCCVEGCSA-N 288.888 4.807 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1C[C@H](C)O[C@H](C)C1 724232812 ABODQLNIGYJBJI-MHORFTMASA-N 281.484 4.695 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2ccc(Cl)cc2Cl)C[C@@H](C)O1 724288270 GEMQLNZOYDOCIY-HBYGRHMLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(CN[C@@H]2CCSc3ccccc32)CC1 724443480 RTRKEPCHBUJMML-MRXNPFEDSA-N 273.445 4.560 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCCCS2)CC1 724545115 OLQAGVYQPFJLJC-IRXDYDNUSA-N 281.509 4.777 30 10 CJEE FC(F)(F)c1ccc(C#Cc2ccc(Cl)s2)cc1 725403614 HPDOJVHKONYVOV-UHFFFAOYSA-N 286.705 4.820 30 10 CJEE C=CCCCCCN(C)C(=O)c1cscc1C(F)F 889113073 KFKFGTANNFZOIN-UHFFFAOYSA-N 287.375 4.504 30 10 CJEE C=CCN(C(=O)c1ccc(CCC)s1)c1ccccc1 1124819671 MLYVNOIWDZYDDX-UHFFFAOYSA-N 285.412 4.533 30 10 CJEE C=C(C)CCC(=O)NCc1cccc(-c2ccc(C)cc2)c1 1127146508 NQOUVLYAZYCWFH-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(C)c1F 1129528514 HGSGXXNKXGXQSH-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=C(C)C(C)(C)C(=O)NCc1ccc(-c2ccccc2)s1 1131383126 VAQPAVFCUMOEGA-UHFFFAOYSA-N 299.439 4.634 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1170217404 QDBUCLWCSKTQFW-IAQYHMDHSA-N 299.336 4.591 30 10 CJEE CCCCCCCCCN[C@@H]1CCOCC12CCCC2 1176964268 AADCFWHXMMLWCX-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCOCC12CCCC2 1184363937 IAYBAYKASHDNAT-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C)c3ccccc23)C1 1202831344 AOGWPUKBHMDKIT-AEFFLSMTSA-N 279.427 4.983 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(F)c(OC(C)C)c(F)c2)C1 1205391800 SZJBLPMZZOPYHI-STQMWFEESA-N 295.373 4.909 30 10 CJEE C#CCSCC(=O)OC1CCCCCCCCCCC1 1264203609 JJRLFLFIPNWVCO-UHFFFAOYSA-N 296.476 4.569 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)CCC1 1270800273 FCSLIYCBLWMNKZ-MRXNPFEDSA-N 297.442 4.909 30 10 CJEE Cc1cccc(C#N)c1SCC12CCC(CC1)C2 1307389954 FJLJNQAOSAOSCH-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE C=CC[C@H]1CCN1Cc1ccc(C(C)(C)CC)cc1 1308142852 XMEWOFWPFHXTMY-KRWDZBQOSA-N 257.421 4.525 30 10 CJEE CCCCCCCCCNCc1cc(F)cc(F)c1 1308185860 JPJGCOMCHIQYFJ-UHFFFAOYSA-N 269.379 4.805 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CCCCC)C(C)(C)C 1353459571 SBCHSPUKLMJAML-HUUCEWRRSA-N 267.457 4.700 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)CCCCC1 1355224700 JCHFUSWNAAQCLO-HZPDHXFCSA-N 291.479 4.844 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 1435993368 ZKBWSQJFAFKHNS-IBGZPJMESA-N 297.442 4.682 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(CC)s1 1448917839 DDBNNBKYGPEVLW-UHFFFAOYSA-N 299.439 4.529 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@H](C)CCCc1ccccc1 1458278935 ZTYXSDAOCJGPNI-IAGOWNOFSA-N 287.447 4.506 30 10 CJEE C=C(CC)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1459564988 QLGQPRQNHIHIMM-QZTJIDSGSA-N 257.421 4.529 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1cccc(Cl)c1 1460903521 XFNOQVIHNUFKFN-ZDUSSCGKSA-N 251.801 4.689 30 10 CJEE C=CCC[C@@H](CC)Nc1cnn(CCC(C)C)c1CC 1462098646 OXCAXANDSJCMOW-OAHLLOKOSA-N 277.456 4.648 30 10 CJEE C=CC[C@H](C)Sc1nc(-c2ccccc2)cs1 1472931114 SXIFKNPGLKVIJT-NSHDSACASA-N 261.415 4.867 30 10 CJEE C=CCOc1cccc(CNCCCCC2CCCC2)c1 1474024157 IYQKVRIRAWTTKT-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(c3ccccc3Cl)CC2)C1 1474103151 WCHAKOCLBNIWPW-GJZGRUSLSA-N 289.850 4.706 30 10 CJEE C#Cc1ccc(NC[C@@H](C)c2ccc(F)cc2)c(Cl)c1 1474731764 PADGTZNTYWSWQY-GFCCVEGCSA-N 287.765 4.676 30 10 CJEE C=CCC1(C(=O)NCC2CCCCCCC2)CCCCC1 1517179200 KCLSZWYPAFFMTA-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C#CCCCCNC(=O)CC1CCC(C(C)(C)CC)CC1 1525771658 AUTDFNLBAHPZDG-UHFFFAOYSA-N 291.479 4.539 30 10 CJEE C=CC(C)(C)CNC(=O)[C@@H](CCC)CC1CCCCC1 1532582182 PNPYJTBKSPZGAQ-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CCC1(C(=O)N2CCC(CCC(C)C)CC2)CCCC1 1534932744 WWCUTOGIZPPXLI-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccccc1C(F)(F)CC 1535551828 WLYWLHBVTKYJKU-UHFFFAOYSA-N 281.346 4.729 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C(C)(F)F)cc1 1537470983 CYOQCXGCQZCLQM-UHFFFAOYSA-N 295.373 4.521 30 10 CJEE C=CCCCC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1538115001 UENOOHOJTRXHRB-QGZVFWFLSA-N 285.431 4.563 30 10 CJEE C=CC[C@@H]1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)C1 1587997418 HDRVVPXRJNPGNA-TZHYSIJRSA-N 289.463 4.574 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)/C=C(\CC)c1ccc(C)cc1 1618324612 LQAXYQRRCSGTIL-LQATUXICSA-N 297.442 4.746 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C)[C@H]2CC3CCC2CC3)C1 1621418790 VYZRWKREIPQXNK-GEYVSONQSA-N 261.453 4.536 30 10 CJEE C=C(CC(C)C)C(=O)N(CC(C)C)c1ccc(CC)cc1 1635855782 ULVWLDMVIMMFLN-UHFFFAOYSA-N 287.447 4.840 30 10 CJEE CCCCCCCCN(C)c1ccc(C(C)=O)cc1 1644302541 UESZIWBBXYIKOU-UHFFFAOYSA-N 261.409 4.686 30 10 CJEE C=CCCCCCN(C)Cc1ccc(CCC)cc1 1644669293 IWSHGARXVLPMPR-UHFFFAOYSA-N 259.437 4.817 30 10 CJEE C=CCn1ncc2ccc(N[C@H](CC)CCCC)cc21 1653178061 OPVSIYPBWQILKF-OAHLLOKOSA-N 271.408 4.603 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccccc1Cl 1654356710 UTFAMLSUSQRLAG-CQSZACIVSA-N 263.812 4.574 30 10 CJEE C=CCCCCCCCNCc1cc(C)ccc1C 1656366915 QLIKCBVSSYFFBT-UHFFFAOYSA-N 259.437 4.920 30 10 CJEE CC(C)Cc1ccc([C@@H](C)[C@@H](C)NCC2(CC#N)CC2)cc1 1659044373 CETXDWXFNISZLE-DLBZAZTESA-N 298.474 4.661 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(Cl)cc1OC(C)C 1660606207 MZGKOUMTNBFTFK-CYBMUJFWSA-N 281.827 4.572 30 10 CJEE C=CCOc1cccc(CN[C@H](C)[C@@H]2CC3CCC2CC3)c1 1662774924 AIWKKKATIDSRMV-LJQPEZLNSA-N 299.458 4.556 30 10 CJEE C=CCN(C/C=C\c1cccc(F)c1)Cc1ccccc1 1663691422 ZIRPQZPLUHZEAB-XFFZJAGNSA-N 281.374 4.527 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(C(C)(C)C)oc2C)C1 1665198767 IBRINBARNOSCHQ-OAHLLOKOSA-N 275.436 4.674 30 10 CJEE C#CCCCCCCNCCc1ccc(Cl)c(Cl)c1 1665635024 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271.395 4.633 30 10 CJEE C=CC[C@H](CCCC(F)(F)C(F)(F)F)CNC(C)C 2231731203 ZEVWBRJFOVJFMK-LLVKDONJSA-N 287.316 4.545 30 10 CJEE CCCCCCCC[C@](C)(N)[C@@H]1CCC[C@H](OC)C1 2231901121 HUONLDFRNJTDDD-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233648980 JFBOQPQXDHFHTF-JONQDZQNSA-N 285.422 4.782 30 10 CJEE COc1cc(NCCCCCCC(C)C)ccc1C#N 2234416373 JCABVHYJHKJVQW-UHFFFAOYSA-N 274.408 4.585 30 10 CJEE C=CCCCCCCCN1C[C@H]2CCCC(F)(F)[C@H]2C1 2235777509 HEZWUNORWFQQPM-CVEARBPZSA-N 285.422 4.880 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@](C)(O)c2cc(C)cc(Cl)c2)C1 2237905401 RGAJBLGWXBKFNM-KBRIMQKVSA-N 291.822 4.576 30 10 CJEE C=CCCCCCCCCN1CCC(OC(F)F)CC1 2238900391 QONSMUWBZQXBBX-UHFFFAOYSA-N 289.410 4.607 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H]1CN[C@H](C)CC 2239467819 LIXKLHSSGFVICI-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCN[C@H](C#Cc1cccc(Cl)c1)[C@H](CC)CC(C)C 2239469045 RQMJAJDPQLPAIZ-SJLPKXTDSA-N 291.866 4.742 30 10 CJEE C=C[C@@H](CCCCC)OCCC(C)(C)CN[C@H](C)CC 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CCCCCCCC[C@H](O)CCc1ccc(F)cc1 2277453368 FPYQLDRZNFKVRS-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1CC[C@@H]1OC 2278153817 DJEUZAHVBLVEFX-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CC(C)(C)C 2278245783 WSOSTIGBGSLWGK-NVXWUHKLSA-N 271.489 4.642 30 10 CJEE CCCCCCSCCCC[C@](C)(C#N)NC1CC1 2278262083 YQMOLBUDUVEMCJ-MRXNPFEDSA-N 282.497 4.504 30 10 CJEE Cc1ccc(C#N)cc1NCC[C@@H]1CCCCC12CC2 2279742000 AAFJXCLUALXQOZ-INIZCTEOSA-N 268.404 4.639 30 10 CJEE CN(CC[C@H]1CCCCC12CC2)C1(C#N)CCCCC1 2279747523 KXELGTHONBYLAB-MRXNPFEDSA-N 274.452 4.505 30 10 CJEE CC(=NO)c1ccc(OCCCCCC(C)C)cc1C 2283261129 WESXVCZCRKUZLI-UHFFFAOYSA-N 277.408 4.788 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1cc2c(s1)CCCC2 2284103499 RCPJLCVYJUPMEF-UHFFFAOYSA-N 286.440 4.805 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 2284129674 OUXCUGRRGVMBQZ-BRWVUGGUSA-N 276.464 4.806 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@@]1(C)COC 2284721719 IOCCNDQSPGPTSJ-ZWKOTPCHSA-N 283.500 4.635 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)[C@@H](CC)CCC 2287665352 CJIARFBPWJXKNV-OKZBNKHCSA-N 285.516 4.902 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2289709170 HISPRSILVHTTRG-KCITZHQASA-N 275.480 4.621 30 10 CJEE CCCCCCCCCOCC1(N)CC(C(C)(C)C)C1 2289819752 YRFXZOMJLFYDOO-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE CC(C)[C@]1(C)CSC(=N[C@@H]2CC(C)(C)CCC2(C)C)N1 2290304384 GAJIRCXPSYKJDP-DYVFJYSZSA-N 296.524 4.698 30 10 CJEE CC1(C)CCC(C)(C)[C@H](N[C@@H]2CCCCC[C@H]2C#N)C1 2290326903 HSPXDKYXTIHNKN-ARFHVFGLSA-N 276.468 4.653 30 10 CJEE C=C(C(C)(C)C)[C@](CC)(C[C@@H](C)CC)OCCC(=O)O 2291122831 YLMDMYDDNWYUJJ-GUYCJALGSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@@H](OCCN)C1CCCCCCC1 2292884469 GNVAILQFISQZOI-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@](C)(OCCN)C(C(C)C)C(C)C 2292889171 RGEBQEAKQTUZNN-SFHVURJKSA-N 283.500 4.785 30 10 CJEE C=CCCCC[C@@](CC)(OCCN)c1cccc(Cl)c1 2293271978 OBQWFVPJHOWUHT-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE C=CCC1(N=c2ccc3cc(Cl)ccc3[nH]2)CCCC1 2294991436 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C=CC[C@](C)(CC)[C@H](CC[C@@H](C)C(F)F)NCC 2321096493 SARUQAUJIBRYCM-IPYPFGDCSA-N 261.400 4.638 30 10 CJEE C=CC[C@H](C)[C@H](CC(C)(C)CC(F)(F)F)NCC 2321107486 GUGAWOAOUWCOGM-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE C[C@@H]1CCC[C@H](OC[C@@](C)(CS)C(C)(C)C)[C@@H]1C 2327160357 KQYQWNIWEZEMLB-NYTXWWLZSA-N 272.498 4.810 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CCCCC1(F)F 2327165900 NSAVUSXAZZEWND-DGCLKSJQSA-N 280.424 4.563 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1OC 2331739410 LCKUZZVHECYMRY-GVDBMIGSSA-N 270.457 4.693 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@]12CCC[C@@H]1C2 2333170960 SVXLABVJIUCVBS-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE CCCC#CC[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2334758789 OGXFWTBVJPJYPD-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1cccc2ccccc12 2335207376 RXBRTMZWQQIVLW-DYVFJYSZSA-N 271.429 4.537 30 10 CJEE CCCC#CC[C@H](NCC)c1c(F)ccc(C)c1Cl 2335580578 GQAFRXUQTQNUPJ-AWEZNQCLSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)N(C)Cc1ccc(F)c(C)c1Cl 2339350629 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UWVGQSGDCACUHX-LBPRGKRZSA-N 269.841 4.592 30 10 CJEE CC(C)c1cccc(NC[C@H](C#N)c2ccccc2)c1 80782231 LIDQWSAEAGZHET-KRWDZBQOSA-N 264.372 4.529 30 10 CJEE CC(C)c1ccc([S@@](=O)[C@H](CC#N)c2ccccc2)cc1 84260456 YPSCIBUKXYJHDN-NQIIRXRSSA-N 297.423 4.573 30 10 CJEE CCC[C@H](CS)COc1cc(Cl)ccc1Cl 87078023 YRDLEDUQYYAZTE-VIFPVBQESA-N 279.232 4.718 30 10 CJEE N#CCc1ccc(Oc2ccccc2)c2ccccc12 90568576 HIHYIOZMUMCIQD-UHFFFAOYSA-N 259.308 4.698 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Sc1ccc(Br)cc1 93955869 SMDIZAKXONHFPP-GWCFXTLKSA-N 296.233 4.624 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(C2CC2)c1 94521352 BXBYTJBGEMBJEB-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE C=C(CC)C[C@@H](CSc1ccccc1)NCCC 97208846 WYDBSFDMEGPEFU-HNNXBMFYSA-N 263.450 4.503 30 10 CJEE CCOc1c(C)cc(Cl)c(C)c1[C@H](C)CCS 107649697 LQEWSCCIOSRHHE-SECBINFHSA-N 272.841 4.779 30 10 CJEE CCCCCCCOc1ccc2c(c1)CCC[C@H]2NC 110096035 OTGYLQGHODYQIJ-GOSISDBHSA-N 275.436 4.633 30 10 CJEE N#Cc1ccc(NCCC2=CCCCC2)c(Cl)c1 110254682 HLLCUHMGHGHWJL-UHFFFAOYSA-N 260.768 4.514 30 10 CJEE CCc1ccc(Oc2cccc(Cl)c2C#N)cc1 110260685 WAUSYJGGNWDDNV-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCCCCNc1nc2cc(N)ccc2[nH]1 129213553 KTXMHVXGVVXVHL-UHFFFAOYSA-N 288.439 4.698 30 10 CJEE CCCCCCCCCCN[C@H](C)C1CCN(CC)CC1 129260202 HGGAMTXXNRKBCH-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CC(C)C1CCC(C#N)(CCSC(F)(F)F)CC1 130943972 HQNNAIRRLVWYNL-UHFFFAOYSA-N 279.371 4.986 30 10 CJEE CC1(C)CCc2ccccc2[C@H]1Nc1cccc(C#N)c1 132594418 PAPHVKGQYPCVFP-GOSISDBHSA-N 276.383 4.684 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c(C)c2)c(Cl)c1 133515368 NUXPYIABQVJOAZ-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE Cc1ccc(Cl)cc1Nc1c(F)cc(C#N)cc1F 133943541 WOKLASJQGNALFK-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCCCO1)NCCC 134573619 DOMOLJODCFBUAA-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CSc2ccccc21 139547985 XEHIBTSGRYTARQ-HZPDHXFCSA-N 277.477 4.824 30 10 CJEE CCCCCCCC[C@@H](CCOCCC)NCCC 140348092 IZJQKACYZGHJPF-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCC[C@H](CCOCC)NCC 143474245 MNQGWCKIZQDUQT-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=CCC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC(C)C 156198016 LUBXCTPOXOOLRS-GVDBMIGSSA-N 251.458 4.639 30 10 CJEE C[C@@](O)(c1ccccc1Cl)C1(C#N)CCCCCCC1 156790310 TXCORFLUWUIVGB-MRXNPFEDSA-N 291.822 4.802 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(Cl)cc(Cl)c1 156953839 KEMNCYJLYACEOH-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CCCS1 161106254 NPQUVCKYIBZSHC-CABCVRRESA-N 257.487 4.611 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccc2sccc2c1 165327333 ZQYIATYINUHGEF-UHFFFAOYSA-N 278.380 4.694 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(F)ccc1F 167294615 WOVJPPQUCDAAKI-OAHLLOKOSA-N 270.363 4.619 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCN2 167421199 KKKJNZYVEGCDBA-UHFFFAOYSA-N 259.393 4.588 30 10 CJEE Cc1cc2nc(/C=C\c3cccc(C#N)c3)sc2cc1C 208305229 SJELOINBEWBYHZ-SREVYHEPSA-N 290.391 4.955 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)cc1Br 213218185 GIKVXTZOIHAMKF-WDEREUQCSA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(OC)CCC[C@@H](C)C1 227668762 LIXNMUYLWFQWSI-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](N)c1cncc(OCCC)c1 229123145 MENHLEXXHJPWDA-KRWDZBQOSA-N 278.440 4.621 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](O)c2cc(C)ccc2O1 229409451 JFFDVBNNWHMLDY-AEFFLSMTSA-N 276.420 4.930 30 10 CJEE CCCCCCCCC(=O)Nc1cnc(Cl)c(C)c1 232920261 ASPGWHOVGDTPAP-UHFFFAOYSA-N 282.815 4.733 30 10 CJEE CCCCCSc1cc(Br)ccc1C#N 233083942 SFKCLCIPLOXFKI-UHFFFAOYSA-N 284.222 4.603 30 10 CJEE C=CCCCCC[C@H](NC)c1coc2ccccc12 234444731 SSLNANKMMPEJJO-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1cccc(Cl)c1Cl 235426375 PBDMIRDDGJJCFA-NXEZZACHSA-N 258.192 4.609 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1C[C@H]2CC[C@H]1C2 252901232 KQIIJMFJTDNMEU-MWDXBVQZSA-N 252.442 4.924 30 10 CJEE COc1c(C2(C#N)CCCCC2)ccc2sccc12 260670421 UMXFFLIWGGOQIS-UHFFFAOYSA-N 271.385 4.635 30 10 CJEE CC1(C)CCC(C#N)([C@H]2CCOC3(CCCC3)C2)CC1 312590311 UYVDMFQYXQWWDH-HNNXBMFYSA-N 275.436 4.836 30 10 CJEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCC[C@@H]1C 314475704 BAIYBJAOUYVTGP-SWLSCSKDSA-N 292.220 4.630 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCCC2(F)F)C1 317334653 QOVARDSSTKZIRY-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2F)C1 317396594 ZAIKVVLDQRIXNU-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE N#CC1(C[C@H]2OCCc3ccccc32)CCCCCC1 380201247 GDCXUZHPOGEGQV-QGZVFWFLSA-N 269.388 4.555 30 10 CJEE CCCCCCC[C@H](N)c1sc(C)cc1CC 383859217 NLLBEXROLZCGEL-AWEZNQCLSA-N 253.455 4.979 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C)[C@@H]1CC 384312896 OZRQVBNTDKCQGB-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc2ccsc12 386233706 XJPLRSYAYICXFL-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccsc2Br)C1 389059001 CGVQHECFNBWFCG-MFKMUULPSA-N 298.249 4.773 30 10 CJEE C=CCC(C)(C)COCc1ccc(CNC(C)(C)C)s1 393207839 HGZMNRSPNAFNCF-UHFFFAOYSA-N 295.492 4.755 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Br)o2)C1 393533004 NBGNRNYZIVQABF-SMDDNHRTSA-N 296.208 4.695 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)C2CCCCCCC2)CC1 394313154 PNEVNPYPOYLVNJ-MRXNPFEDSA-N 277.452 4.818 30 10 CJEE CCCCCCC[C@H](N)c1cc(F)c(F)c(F)c1F 395599008 AAILEKTUVSRQTC-NSHDSACASA-N 277.305 4.603 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CCSCC1 401710983 TVFGNGUZQNZWBP-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=C(C)CC[C@H](NCC(C)C)[C@@H](C)c1ccccc1 405583751 HARIQVHDPKPIHX-WMZOPIPTSA-N 259.437 4.761 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 464531673 VZMUKFFQMBBDGJ-DNVCBOLYSA-N 297.442 4.657 30 10 CJEE CCc1ccc([C@@H](CC)NCc2ccc(C#N)cc2F)cc1 610812808 SCHNIUYBMWDGTQ-LJQANCHMSA-N 296.389 4.501 30 10 CJEE C#CCCCCC[C@@H](C[C@@H](C)CC(C)(C)C)NC 686686877 SPBGOTUUGAYCIM-CVEARBPZSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@@H]1CCCCC[C@H]1CNC1CC1 686691826 UWHJPJWLIRYXOE-SJORKVTESA-N 261.453 4.519 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)CC1(c2ccccc2)CCCC1 686745657 YNMPMSYKFCNCKW-LPHOPBHVSA-N 270.416 4.894 30 10 CJEE CC(C)CCC[C@@H](C)/N=C1/NC2(CCCC2)CCS1 687319299 GJJPQASVVRYDIU-CQSZACIVSA-N 282.497 4.597 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)CC(F)F)NN 688836661 CSXUNJKYPMZHQC-ZIAGYGMSSA-N 278.431 4.640 30 10 CJEE C=CCC1(Nc2nccc3sccc23)CCCC1 690779329 BYHAMQYDCISPJQ-UHFFFAOYSA-N 258.390 4.597 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1Cl 692205012 OBDULBCWUGQNKJ-LRDDRELGSA-N 281.802 4.704 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCC12CCCCC2 694369265 LHFLFAJQZJOOMC-INIZCTEOSA-N 274.795 4.759 30 10 CJEE CC1(C)CCN(c2ccc(C#N)c(Cl)c2)CC(C)(C)C1 699696734 NHEUMSZPOKLSPO-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cccc(Cl)c1 701907766 IKMHRCDOADKAEW-GFCCVEGCSA-N 251.801 4.593 30 10 CJEE C[C@H](N(C)c1cc(Cl)ccc1C#N)[C@]12CCCC[C@H]1C2 709258936 BTVRXILLHUGXNM-RVSPLBMKSA-N 288.822 4.617 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1ccc(C2CCC2)cc1 709669283 OVZVFQGMIAQJRV-OAHLLOKOSA-N 256.393 4.552 30 10 CJEE C=CCCC[C@@H](NCCC)C1CCC(SC)CC1 720411514 SPFPDKZMVYZXFN-UYSNPLJNSA-N 269.498 4.633 30 10 CJEE CCCCCCCc1nc(-c2cc(C(=O)O)co2)cs1 720984147 IULKUDUELIFWHP-UHFFFAOYSA-N 293.388 4.614 30 10 CJEE C=C1CCC(CNc2cccc(F)c2Cl)CC1 724549495 NLSZWKCHMXYFPU-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(SC)cc2)CC1 724550284 VOXUNTAUNJGFSH-MRXNPFEDSA-N 261.434 4.545 30 10 CJEE C=CCCCNc1ccc(OC(C)C)c(Cl)c1 740873248 GRUAUTPICAAYIQ-UHFFFAOYSA-N 253.773 4.505 30 10 CJEE C=CCC[C@@H](C(=O)O[C@H](C)c1ccco1)c1ccccc1 778697387 KYUWBBCAUCWQFO-GDBMZVCRSA-N 284.355 4.634 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)CCCCC(C)(C)C#N 821942888 QLAAAAVYQCPOJN-CVEARBPZSA-N 264.457 4.607 30 10 CJEE CCN(CC)c1ccc(C=Nc2ccccc2Cl)cc1 1083917474 HNDXYBCBSFRDTL-UHFFFAOYSA-N 286.806 4.937 30 10 CJEE C#CCCCCCC(=O)OC1CCC(C(C)(C)C)CC1 1124594320 NIIQTRNCXRTJCJ-UHFFFAOYSA-N 278.436 4.718 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1127672675 MRLIRLIAUVIMOJ-UYAOXDASSA-N 299.458 4.906 30 10 CJEE C=CC[C@@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)c1ccccc1 1129904354 RDSSRUXTTAQJKT-SJLPKXTDSA-N 299.458 4.679 30 10 CJEE C=CCC[C@H](NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1168656580 FNIXRVIHJHYXCW-WNHJNPCNSA-N 269.432 4.720 30 10 CJEE C#CCN(Cc1cc(Cl)cc2ccccc12)C(C)(C)C 1176287063 ANOLJVNQTPLFKO-UHFFFAOYSA-N 285.818 4.727 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(C(C)(F)F)c2)C1 1180936379 VQWQBNJMIJTMCX-WFASDCNBSA-N 265.347 4.955 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@@H]2CCC(C)C)cc1 1184227786 FGMKPLCFSYWVQC-SJLPKXTDSA-N 255.405 4.685 30 10 CJEE C#CCCCCCCNc1cc(Cl)cc(C)c1OC 1206714180 BAJDPRWJUHIYDJ-UHFFFAOYSA-N 279.811 4.653 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cc(C)cc(C)c1 1206753679 OEEBBBCMKHUBJX-QGZVFWFLSA-N 259.437 4.918 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccccc1SC 1214469444 XTAROXZWVQGBTC-UHFFFAOYSA-N 292.448 4.667 30 10 CJEE C=CC[C@@H]1N(C(=O)N[C@@H](C)CCC(C)C)CCCC1(C)C 1220659978 OBCDEJMKRKJRRJ-HOTGVXAUSA-N 294.483 4.587 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCC1CCC(CCCC)CC1 1264789185 RBGPGEMVUJUGAU-HTWSVDAQSA-N 279.468 4.702 30 10 CJEE CC#CCCCC(=O)O[C@H](C)c1ccc(C(F)(F)F)cc1 1266272664 WXWNNCLTNVESMV-GFCCVEGCSA-N 298.304 4.503 30 10 CJEE C=CCCCCCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 1307607726 NFYGANYKECUFQP-QFBILLFUSA-N 287.447 4.825 30 10 CJEE C=C(C)CN(CC)C/C(C)=C/c1ccccc1OC(F)F 1308653137 PMFHAGKUOQDFDV-GXDHUFHOSA-N 295.373 4.589 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H](C)c1ccccc1 1308668475 FYJKBOGVZKXCCW-IAGOWNOFSA-N 259.437 4.905 30 10 CJEE C=CCC[C@@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 1308889261 ZGYUVAIJEQDIJE-MLGOLLRUSA-N 263.812 4.662 30 10 CJEE C=C[C@@H](CC(=O)NCCCC1CCCCC1)c1ccccc1 1354849287 PXOCDEWCBJPSBX-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C(\C)c1ccco1)c1ccccc1 1435623397 ZFDAYBVAHMJKFC-IAOULYHDSA-N 295.382 4.507 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1436016534 LNOIUQOGWXJVHX-QGZVFWFLSA-N 299.458 4.809 30 10 CJEE C=C[C@H](C(=O)Nc1cccc(C(=C)C)c1)c1ccccc1 1456873176 PBOFMWRQMGNCFK-SFHVURJKSA-N 277.367 4.628 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(SCC)cc1 1459826583 NFRXZTIBRKWEER-CQSZACIVSA-N 263.450 4.806 30 10 CJEE C=C(C)CCNC(=O)c1cc(-c2ccccc2)ccc1Cl 1460232840 GFUSOLUFAREMLT-UHFFFAOYSA-N 299.801 4.703 30 10 CJEE C=CCC(C)(C)CNC(=O)c1cc(-c2ccccc2)oc1C 1460378237 JTNGMKNGLKZLBT-UHFFFAOYSA-N 297.398 4.587 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C3CC3)nc2C)c1 1463258390 PUXYUTOAFOXFLY-UHFFFAOYSA-N 292.382 4.553 30 10 CJEE C=C(C)c1cccc(NCc2cccc(Cl)c2N)c1 1474291329 NQAARPKHDIDKGI-UHFFFAOYSA-N 272.779 4.567 30 10 CJEE C=CC1CCN(C(=O)Nc2cc(C)cc3ccccc23)CC1 1476618782 OZFNDFGRKSYYOQ-UHFFFAOYSA-N 294.398 4.578 30 10 CJEE C=CC[C@@H](C(=O)NCC(C)(C)C1CCCC1)c1ccccc1 1518387519 IWBHAUNKTRQCAV-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CCC[C@@H](C(=O)N(C)[C@@H]1CCC(C)(C)C1)c1ccccc1 1520317779 NOQMVNGHQGNBRT-QZTJIDSGSA-N 299.458 4.774 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)/C=C(/C)C(C)(C)C 1521557195 VECLDELGGCLGER-SQFISAMPSA-N 277.452 4.574 30 10 CJEE C=C1CCC(C(=O)O[C@H](c2ccccc2)C(F)(F)F)CC1 1525716682 OZJFSPGWNBNMBO-CQSZACIVSA-N 298.304 4.580 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCCC1(C)C 1530840134 QNBYSATWOAZNRM-LTIDMASMSA-N 291.479 4.652 30 10 CJEE C=C[C@H](OC(=O)C(C1CCC1)C1CCC1)c1ccccc1 1532387684 NILJHZVFNQECTC-KRWDZBQOSA-N 284.399 4.673 30 10 CJEE C=CCN(C(=O)/C(C)=C\C1CCC(C)CC1)C(C)(C)C 1532428484 XGCAQTTZXHIGSD-SQFISAMPSA-N 277.452 4.572 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCCC[C@H]1CC)c1ccccc1 1534423964 HRSBHPWANMYDMA-NEWSRXKRSA-N 299.458 4.679 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccccc1 1583038151 RETDBNSZVGDYNJ-QYZOEREBSA-N 297.442 4.636 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(F)cc(Cl)c2)c1 1585977244 DHXJDOOBVFGQBZ-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](CCC)C1CCCC1)c1ccccc1 1597087041 QGRBPZYPVPENBW-OALUTQOASA-N 299.458 4.821 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(OC)c2)C1 1620925512 NXGOQELPRROJOM-RYUDHWBXSA-N 299.336 4.871 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 1627394699 CPBDKVIAWGZXDI-UHFFFAOYSA-N 289.378 4.931 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](C)c2ccccc2C)c1 1627395401 YKXKYTQYYDRZHR-OAHLLOKOSA-N 279.383 4.770 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc2c(C)c(C)ccc2[nH]1 1633930277 ZDBMARGZPKQBII-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C=CCCc1ccccc1NC(=O)CCC[Si](C)(C)C 1639337630 RMSQSGZKGOTFGW-UHFFFAOYSA-N 289.495 4.862 30 10 CJEE C=CCCN(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1645119194 ZIUAZFKBGIOKHF-HZPDHXFCSA-N 297.364 4.849 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1nsc2ccccc12 1647740721 ACIJPPCOAKVKDR-ZFWWWQNUSA-N 286.444 4.521 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(Cl)c(C)c1 1651208162 FKBRRFBPANDLTD-SFHVURJKSA-N 299.845 4.925 30 10 CJEE C=C(C)c1cccc(NCc2cnn(-c3ccccc3)c2)c1 1651651385 LMOHBYQSZHIJBJ-UHFFFAOYSA-N 289.382 4.518 30 10 CJEE C=CC[C@H]1CCN1Cc1ccc(C2CCCCC2)cc1 1655022588 BXNNCYQJXVMAMN-IBGZPJMESA-N 269.432 4.885 30 10 CJEE C=CC[C@@H](C)NC[C@H](C)Cc1ccc(C(C)(C)C)cc1 1655633164 WZBHKRCSZKDLOP-HZPDHXFCSA-N 273.464 4.717 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 1656336061 INKYQKQMOJQGIT-VGWMRTNUSA-N 289.850 4.920 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CC[C@H](c2ccccc2)O1 1657378410 ZUTNAIAYEPKEOC-RBUKOAKNSA-N 287.447 4.585 30 10 CJEE C#CCCCCCCN(C1CC1)[C@H](C)c1ccccc1 1658593409 KWNCAUVOAYBGDZ-QGZVFWFLSA-N 269.432 4.796 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H](C)c2ccc(Cl)cc2)C1 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2266722849 JVKCZJGWXUGVMX-CYBMUJFWSA-N 274.795 4.594 30 10 CJEE CCCc1ccc(C[C@]2(C#N)CCCC23CC3)cc1 2268252083 NOUUETLHCIEXSW-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2nc(C)cc3sccc23)C1 2270606321 AIOGUPSQFDDRRA-LRDDRELGSA-N 270.401 4.576 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc([C@H]2C[C@H]2C)o1 2271748544 VNGYERCUWIPRMV-ILXRZTDVSA-N 261.409 4.800 30 10 CJEE C=C(C)CCCC[C@@]1(N)CC2C[C@H]3CC1C[C@@H](C2)C3 2271757224 ZJXIJPOHGQCLTO-YFVGIKETSA-N 261.453 4.667 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@]1(C)C[C@H]1C(F)(F)F 2271784427 FUQXBTYTLMNAIB-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1[C@@H]2CCCC[C@@H]12 2271784912 ISZVNYUMFOFFJT-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCC1(CO)CC2(C1)CC1(CCC1)C2 2271788928 UNFCJGLHDPFERB-UHFFFAOYSA-N 262.437 4.846 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@]1(C)CCCC1(F)F 2271800486 ZEKKDRRVDRKOBF-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1C(=O)O 2271837777 XPVFFSRQJHPSRX-ARFHVFGLSA-N 266.425 4.896 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)[C@H](CC)CCC 2272066971 FVWKDEBJGWOWFC-NVXWUHKLSA-N 270.457 4.883 30 10 CJEE CC1(C)CCC(C)(C)[C@](O)(C#CC2CCCCC2)C1 2274496640 IZTDGHVTDYOVBY-SFHVURJKSA-N 262.437 4.538 30 10 CJEE C=CCCCCC[C@@H](OCCCN)C(C)(C)C(C)C 2276211518 RGNKDQRWVLSSGR-MRXNPFEDSA-N 269.473 4.539 30 10 CJEE C=CCCCCC[C@H](CCCCCCC)OCCN 2276217762 WZUFFMSDECNJEF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCC[C@](C)(CC(C)(C)C)OCCCN 2276222025 LIZTYFVMHGKDJQ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1sccc1C 2276496370 NZCVFJMNCNERLY-OAHLLOKOSA-N 283.481 4.824 30 10 CJEE CC(C)CCN(CC(C)C)c1cc(Cl)ccc1C#N 2277475201 KLRZFKXZUYAMOM-UHFFFAOYSA-N 278.827 4.720 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)CCCCCCCS 2277501466 OAEHLYDGZHGAHV-SJORKVTESA-N 285.541 4.871 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)C(C)(C)CC 2278232922 BOBRFVYHCFWHJY-NVXWUHKLSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@](C)(C=C(C)C)OCCN 2278238518 KDCOHKXACPOKHW-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCC#CC[C@@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279603052 RJNUZXLJFAWSEJ-RBSFLKMASA-N 289.385 4.527 30 10 CJEE CSc1ccccc1[C@@H](C)NCC=CC#CC(C)(C)C 2284110024 BKNKTUFSIHWVJM-OAHLLOKOSA-N 287.472 4.665 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](C(=O)O)C1CCCCCC1 2284169914 FIPNLMCVRMSPGJ-MRXNPFEDSA-N 276.420 4.653 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C#N)CCCC23CCC3)c1 2284328873 IASMNAZRXKPQHI-KRWDZBQOSA-N 289.806 4.755 30 10 CJEE CC#CCCCCOc1cc(C)c(Cl)cc1[C@H](C)NC 2286450462 ZTDMQSIMYXCQHH-AWEZNQCLSA-N 293.838 4.501 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@](C#N)(NC)[C@@H]1C 2287097063 RRHRYEYWXRIKQI-ZACQAIPSSA-N 294.508 4.526 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C(C)(C)C)CS1 2287886918 WOUGJALQODBWFN-LSDHHAIUSA-N 298.540 4.946 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H](C)C1CCCCC1 2289690591 NSNNZJTZTHDMHJ-VQIMIIECSA-N 275.480 4.765 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc2ccc(F)cc2s1 2289772219 GBVIEMCRQGJORA-HNNXBMFYSA-N 288.387 4.658 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@]12CCCC[C@H]1C2 2289788498 CJIQSHDYOZFTDO-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE C=CCC(C)(C)O[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2290216388 ADRTUPKKIMVATJ-CABCVRRESA-N 281.484 4.551 30 10 CJEE C=CCCCCCCCC[C@H](OCC(=O)O)[C@@H](C)CC 2291309105 XNGJAIPYLMTJOT-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE C=C(C)CC[C@@]1(OCCC(=O)O)CCCC(C)(C)CC1 2291686683 IHCATFFSQUMTAZ-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCC[C@@H]1CCC 2291768108 PQABZCRZQHKWKV-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H]1CC[C@@H](C)C1 2292652472 KLHFAOQIMMINEF-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)C=CC[C@@H](CC)C1 2293369315 UNXNJXCLBKVLPW-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1)OCCN 2293374036 SEXBUHIDBZCSGB-KRWDZBQOSA-N 297.870 4.587 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1(SC)CCC1 2293784590 KDJHOGVYNBTODW-MRXNPFEDSA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@@H]2CCC[C@@H]2C1 2294360325 FBOHDLXUBHGNAQ-BCDXTJNWSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](CC)(OCCCN)C(F)F 2294465321 WUDQDYAVDQYQQK-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1CC(CC)C1 2294532506 VXPDFJUFCKPIEY-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(N)C#Cc1ccccc1Cl 2295214181 KMJHIORQZJCJDR-WMZOPIPTSA-N 289.850 4.625 30 10 CJEE CC1(C)CCC[C@H]([C@@H](O)C#Cc2ccccc2Cl)CC1 2295219576 OJFBZLLTIYKVII-RDJZCZTQSA-N 290.834 4.659 30 10 CJEE CC(C)(C)C#CC=CCC(=O)Cc1ccc(Cl)c(F)c1 2295294931 VGGAZCYKFROKKK-UHFFFAOYSA-N 292.781 4.587 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@@H](C)CC(C)C 2295679001 LPNCKRHUBSDGDH-BZSNNMDCSA-N 285.516 4.888 30 10 CJEE C=CCC(CC=C)[C@H](O)c1c(C)cccc1Br 2301054934 IIMPJTBHTAAGSO-HNNXBMFYSA-N 295.220 4.559 30 10 CJEE C=CCC(C)(C)[C@H](N)c1c(Cl)ccc(Cl)c1F 2304039776 YKTGQYYBJLBYIK-GFCCVEGCSA-N 276.182 4.735 30 10 CJEE CC(C)CCCCOCC1(CS)CC(C)(C)C1 2304486815 NGVMKNRURXLQGM-UHFFFAOYSA-N 258.471 4.566 30 10 CJEE C[C@@H](CCS)CCOc1cccc(C2CCC2)c1 2314784880 XQBAZJWJKVZFKH-CYBMUJFWSA-N 264.434 4.679 30 10 CJEE C=CCC[C@@H](C)c1ccc(C(F)(F)F)cc1OC 2315318741 MQETVKBDQYYTTE-SNVBAGLBSA-N 258.283 4.784 30 10 CJEE CC#CCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2316955733 LVKIFPOKJNKMGZ-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccccc1CSC 2321116372 JDPFKVQJHUFQOF-HZPDHXFCSA-N 263.450 4.542 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(F)c(Cl)c1 2321128238 QRMMRYWCNRBFKQ-CABCVRRESA-N 269.791 4.732 30 10 CJEE CCCOc1cccc(C=CC(=O)c2ccc(C)cc2C)c1 2323144639 YPPGTLMNVRCPRZ-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332408796 OJIYXZFCWQWLTC-RZFLPCETSA-N 263.469 4.713 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2334630913 PFWZMKYVGWVZCI-UIBIWLFHSA-N 262.437 4.988 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1cc(C)c(C)cc1C 2335114023 MQKZBVIRRDUDLN-INIZCTEOSA-N 257.421 4.783 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCC2(CC2)[C@H]1NCC 2335191929 SUYULJVLPBNKFV-CVEARBPZSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC(C)(C)[C@@H]1NCCC 2338665808 KXMATRCBQNYSFY-IAGOWNOFSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(CC(C)C)cc1 2338693676 NUWKEKGEEPELMO-UHFFFAOYSA-N 256.389 4.836 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@]12CCCC[C@@H]1CC2 2338739629 XKUHMMBGTKOAIV-SQNIBIBYSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(C)ccc1C 2338749370 JDBDNBLVYUSOCB-SFHVURJKSA-N 257.421 4.722 30 10 CJEE N#C[C@@]1(CC2CCCCCC2)CCOC12CCCC2 2339070424 NFRATAYFBXSXQT-INIZCTEOSA-N 261.409 4.590 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(F)cc1C1CC1 2339203285 SQGVPPADZGQWJL-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE CC(C)c1ccc(F)cc1NCCCC(C)(C)C#N 2340235892 SMRQZFRMGDYGKE-UHFFFAOYSA-N 262.372 4.691 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340262671 QIHHHLHENHEKGV-VXGBXAGGSA-N 299.867 4.500 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(COC)s1 2342074547 OJNHRRXQQNARNT-CJNGLKHVSA-N 281.465 4.538 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(COC)s2)C1 2342136519 NEWUMHATXIEUIB-CJNGLKHVSA-N 277.433 4.547 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(COC)s1 2342279032 VHIVJBXVDFVWFE-HNNXBMFYSA-N 282.449 4.845 30 10 CJEE CC#CCCCC[C@H](N)c1cccc(C2CCC2)c1 2343775219 FYSLLRXBLVIHGF-SFHVURJKSA-N 255.405 4.538 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(C)cc(C)c1 2344335705 BTGKBUWGBOQIIW-KRWDZBQOSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(F)c2ccccc12 2344335867 DFIMSMAWVGODOH-INIZCTEOSA-N 257.352 4.581 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCC 2344346097 PXRBATIISUJTHM-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1ccc(C2CCCC2)cc1 2344348112 HTTZAUWNABZXFT-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC2(C1)CC21CC1)NCCC 2344354592 AQPMHVVFVQRBAS-CTMQZQKCSA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCC[C@@H]1C2)NCCC 2344372882 WGQRHXNEAMKNOU-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1nc(C)cc2sccc12 2344456176 BKIUIKZYGHUGKA-HOTGVXAUSA-N 275.417 4.631 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc(C#N)c(Cl)c1 2352094908 UYZKAERZWWXDNE-HNNXBMFYSA-N 297.851 4.573 30 10 CJEE C=CCCS[C@@](CC)(C(=O)O)C1CCC(C)(C)CC1 2352207034 RNGZMVVJCPZTBP-MRXNPFEDSA-N 284.465 4.746 30 10 CJEE CC(C)c1ccnc(C(=O)C2=CCC(C)(C)CC2)c1 2352981643 AKHSPJLBTWIRPW-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE C#CCCCCCOCC1CCC(C(F)(F)F)CC1 2353194400 ODMAPDNXUZJSJA-UHFFFAOYSA-N 276.342 4.565 30 10 CJEE CC(C)C[C@H](CS)CN1CCC2(CCCCC2)CC1 2353843510 SSPQISMCHYBDDJ-INIZCTEOSA-N 283.525 4.625 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](NCC#CC1CCCCC1)C2 2354139982 LNFCGARKJSLLBH-QYZOEREBSA-N 273.464 4.519 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2355989821 AJQRGZSIMMTCGD-RQJABVFESA-N 282.374 4.619 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CCC)CC[C@@H]1C(=O)O 2360198348 HJYDHAFXEHACOJ-VNQPRFMTSA-N 296.476 4.910 30 10 CJEE C=CCC(CC=C)Sc1cc(CN[C@H](C)CC)ccn1 2360378010 YFEHPUHOPRUNHA-CQSZACIVSA-N 290.476 4.583 30 10 CJEE CCCN[C@](C#N)(CCC)CSCC1CCC(C)CC1 2360509556 XKDPCBPCRYIPOO-JCYILVPMSA-N 296.524 4.608 30 10 CJEE CN(Cc1ccsc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 35719182 WWUNPOHMYYNODD-OWCLPIDISA-N 290.476 4.534 30 10 CJEE CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 37072710 YZGGNCJFDRXYSP-GUYCJALGSA-N 284.428 4.668 30 10 CJEE N#Cc1cc(N[C@H](c2cccs2)C2CC2)ccc1Cl 42329990 RTGPWQLWMBPKPZ-HNNXBMFYSA-N 288.803 4.836 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccccc1C(F)(F)F 54823204 GALISXLSORRBKI-YPMHNXCESA-N 282.309 4.590 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(=O)OC)ccc1C 59423057 ZRSBUVRLUMGNCL-HNNXBMFYSA-N 291.435 4.943 30 10 CJEE C=CCc1cc(-c2ccccc2)cc(C=O)c1OCC(=C)C 66117723 BMCGRYORWBJWEU-UHFFFAOYSA-N 292.378 4.850 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc2cccnc12 69502922 OPJFRILMOOFEKV-INIZCTEOSA-N 293.757 4.565 30 10 CJEE CCCc1oc(-c2ccccc2OCC(C)C)cc1C#N 77081311 LPBZETWDKVZEQG-UHFFFAOYSA-N 283.371 4.806 30 10 CJEE CSc1ccc(-c2cc(CC#N)c(C(F)(F)F)o2)cc1 77086428 VQIKUECFEBEGBI-UHFFFAOYSA-N 297.301 4.753 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426809 GEYFVYXJBPGHIS-MBNYWOFBSA-N 294.851 4.936 30 10 CJEE Cc1cc(C)c(C[C@@]2(C#N)CCC[C@@H](C)C2)c(C)c1 87930427 JCFMEBDEDMCULG-FZKQIMNGSA-N 255.405 4.874 30 10 CJEE C=CCCC[C@@H](Cc1cccc2ccccc12)NCC 97220050 BLHGJEUXYPEOIB-SFHVURJKSA-N 267.416 4.717 30 10 CJEE C=C(CC)C[C@H](CCc1ccccc1C)NCCC 97284214 BNBVSOYCXBISQC-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CC[C@@H]1CCCN1CCCCCCCCCS 97799146 JTOJFBAUFPFONP-OAHLLOKOSA-N 257.487 4.521 30 10 CJEE CCCCCCCCC/C(=N/O)c1ccc(OC)cc1O 100166350 FNIAZZWZJGPTEW-VLGSPTGOSA-N 293.407 4.720 30 10 CJEE CCCCCCCOC1(CNC(C)(C)C)CCCC1 103981709 BNDXMKATVRHZQR-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C=C[C@@H](C)Cc1cc(OCC)c(OCC)cc1Cl 107678524 DFSVJPZUJWTMQR-LLVKDONJSA-N 268.784 4.502 30 10 CJEE CCCCCCCC(=O)c1ccccc1Br 109306938 OWQLPQMRPNEWPK-UHFFFAOYSA-N 283.209 4.992 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C[C@@H](C)N 109763780 BVYMSUFLOQMWOX-CYBMUJFWSA-N 283.843 4.579 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1cccc(OC)c1 110190859 QMLWFTPHGCFBJT-GOSISDBHSA-N 291.479 4.824 30 10 CJEE CCCCCCCCOCCN[C@@H]1CCC[C@H](C)C1 110239638 LSJIEEOLFJGMIZ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc2c(c1)OCCO2 115855662 IGIUFZAHKTUPHC-INIZCTEOSA-N 291.435 4.598 30 10 CJEE CCCCCC[C@H](CC)C(=O)[C@H](C#N)c1nc(C)cs1 117081928 QWWVLZYYZJMGMZ-KBPBESRZSA-N 292.448 4.624 30 10 CJEE CCCCCCC[C@H](O)c1cc(F)c(C)cc1F 122092323 BQTPTVVFCLZIRD-HNNXBMFYSA-N 256.336 4.667 30 10 CJEE CCCCCCCCC[C@@H](C)CNCC(F)(F)F 122358485 MUYJPKYNVDJSJC-CYBMUJFWSA-N 267.379 4.915 30 10 CJEE CSc1cccc(N[C@@H]2CCCCC[C@H]2C)c1C#N 127076980 CLSFFCKLOZGSGI-TZMCWYRMSA-N 274.433 4.661 30 10 CJEE Cc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)s2)c1C 134959736 UTSBLRMHCYLYJS-ZIAGYGMSSA-N 284.428 4.648 30 10 CJEE CCSc1cccc(Sc2ccccc2F)c1C#N 136988654 VPELQZJEIGWQFD-UHFFFAOYSA-N 289.400 4.961 30 10 CJEE CCCCCCCCC[C@H](O)[C@](C)(CC)OCC 158357730 WCLVCBKMUZBFPT-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE CCCCCCC[C@H](NC)[C@@]1(OCC)CCC[C@H](C)C1 158464624 ASVJMSZHBWCAPS-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](OC)C(C)(C)C 159807821 MAYBOGNEGHIWIW-HOTGVXAUSA-N 271.489 4.776 30 10 CJEE CCCCCCCOc1cc(Cl)ccc1C=O 161369834 KDGMVQIZWBIHTF-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE CCCCCCCCOc1cc(NCCC)nc(CC)n1 161997259 XZKFWJYUDXFKMI-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE CCCCCCCC[C@H](N)c1cccc2cnccc12 164335392 VCMQIPHGBWEVTN-SFHVURJKSA-N 270.420 4.985 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 169067811 REGCVKPOTWMJBY-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE CCCCN(CC)[C@H](C#N)c1ccc(C(C)(C)C)cc1 213002188 IMFXEWHQJLUOLA-QGZVFWFLSA-N 272.436 4.671 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1Cl 215077229 MRMQYOGMMCTAPI-HIFRSBDPSA-N 276.811 4.838 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)C 227531639 DYHYJSCLLMRMMO-IKGGRYGDSA-N 251.458 4.639 30 10 CJEE CCCCCCCn1ccc2cccc(C[C@@H](C)N)c21 229738180 LVZRJEUSZPMKDD-OAHLLOKOSA-N 272.436 4.501 30 10 CJEE C=C(CC)C[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 229758307 OXTYBRPEBHMVEY-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE CCSc1cccc(NC(C)(CC)CC)c1C#N 230959388 NPNSZRXACHBRST-UHFFFAOYSA-N 262.422 4.661 30 10 CJEE CC(C)(C)CCNc1ccc(C#N)c2ccccc12 232495448 YEAGYFJDSREQGN-UHFFFAOYSA-N 252.361 4.560 30 10 CJEE CC(=O)c1ccc(SCCCCC(C)(C)C#N)cc1 232569120 DFUAPXPWSFOYFE-UHFFFAOYSA-N 275.417 4.701 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1C 232929919 PUPOTJKKNSEQLF-MRXNPFEDSA-N 282.859 4.903 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H]1CCC[C@H](C)C1 250822411 LWCBDSVBEPJESY-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CC(C)(CC#N)c1cc(F)c(F)c(-c2ccccc2)c1 260518265 LQUKMFXZQGJCEI-UHFFFAOYSA-N 271.310 4.823 30 10 CJEE C[C@@H](C#N)CCC1CCC([C@H](F)C(F)(F)F)CC1 261118773 HWRZTAKPUOUXNE-YYJSSNLHSA-N 265.294 4.633 30 10 CJEE N#C[C@@]1(CCc2ccc(Cl)cc2)C[C@H]2CC[C@H]1C2 308488418 ASZQQTUJNJNQSS-OFQRWUPVSA-N 259.780 4.603 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2ccc(Cl)c(Cl)c2)O1 310413713 PHGYZBIRDXGVFM-OLZOCXBDSA-N 270.159 4.517 30 10 CJEE N#CC1(C[C@@H]2Cc3ccccc32)CCCCCCC1 311604578 OYVBFFMHOCMIKB-INIZCTEOSA-N 253.389 4.971 30 10 CJEE CC[C@@H]1CC[C@H](CNC(C)C)[C@@H](CC#CC(C)(C)C)C1 312216484 VWKKEWCHYCOOSL-FGTMMUONSA-N 277.496 4.867 30 10 CJEE C=CCc1cc(N)ccc1OC[C@H](C)C1CCCCC1 312352455 TXSQXWKNCUOXGH-AWEZNQCLSA-N 273.420 4.593 30 10 CJEE CCCCCCCCOc1nc(CNC(C)(C)C)cs1 312362857 YMCQUXVBXWQBKK-UHFFFAOYSA-N 298.496 4.771 30 10 CJEE CCCCCCCCCn1cc([C@@H](C)NCC)nc1C 312475781 VPESVMFMYLGNOE-OAHLLOKOSA-N 279.472 4.613 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H]1CC2CCC1CC2 313186711 LFRZPLMQYBOPJO-ZGUYJTEBSA-N 280.500 4.785 30 10 CJEE C[C@@H]1CC[C@@](C=O)(C[C@H]2CCCc3ccccc32)C1 317770932 VYULFVKGRJKGJW-KYJSFNMBSA-N 256.389 4.502 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 328426334 CIHUVWPLNANNEW-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccccc1OCc1ccccc1 381931797 SBAIUPUYCUVGDH-LJQANCHMSA-N 295.426 4.882 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CCCC1(F)F 381950650 SCQFUDZCJBBKFO-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCCCCCC[C@H](NN)c1ccccc1CCC 384578903 WPROGJMKQGFURC-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CCCCC12CCCC2 385235523 UTGVSRDIQZKOKS-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1CSC 385469258 AENMWSLJYXTDQZ-MRXNPFEDSA-N 265.466 4.910 30 10 CJEE CC(C)c1cccc(N=C2N[C@H](C3CCCC3)CS2)c1 386298247 VANMDNWTQJWTCI-INIZCTEOSA-N 288.460 4.693 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@@H](C)c1ccc(C)s1 387287814 PFENQIWOZFMZCG-HOTGVXAUSA-N 296.524 4.737 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1ccc(F)cc1Cl 387663956 NYMCNEUCRPRFTG-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CC[C@@H](C)C[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394420456 OZRVZESMGLRWAS-GJEMEMOUSA-N 265.441 4.530 30 10 CJEE CCC(CC)(CC)[C@H](C#N)Nc1ccccc1Cl 395132824 SMAFDOAONOOBPT-AWEZNQCLSA-N 264.800 4.860 30 10 CJEE CCCCCCC[C@H](COCc1ccccc1)NCC 395553018 AKLAJRVMEADQSO-GOSISDBHSA-N 277.452 4.542 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC[C@@H]1C(C)C 395860228 RSXOSKRBZDVVSP-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE N#CCc1csc2c(Cl)ccc(C(F)F)c12 396194141 UOLMGKBAAJDXIG-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)F 398154737 HYMALNRVRPNKJU-JTQLQIEISA-N 284.306 4.689 30 10 CJEE N#C[C@@H](CSc1nccc2ccccc12)C1CCCC1 401447008 JCSIPGMPUQDEOR-HNNXBMFYSA-N 282.412 4.657 30 10 CJEE C=CC(C)(C)CO[C@@H]1CCCCCCCCCC[C@H]1N 403890129 GDRUSYBYFKTSTO-IAGOWNOFSA-N 281.484 4.826 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 509009244 ZJQZPAMOGBKDHO-ZDUSSCGKSA-N 286.444 4.735 30 10 CJEE N#CCc1cc(F)ccc1-c1ccc(C(F)(F)F)cc1 514262901 ABHNMBDQNUZLRR-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C#CCCCCC[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 686676298 DBIFDRWMBPGSOO-FJIDUMEYSA-N 262.437 4.538 30 10 CJEE Cc1cccc(N=C2NC3(CCCC3)CCS2)c1Cl 687324320 UHWLDNJHSRCSDQ-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc2c1COCC2 688358655 KTYMULLOJUSUDY-GOSISDBHSA-N 276.420 4.543 30 10 CJEE C#C[C@@H](Nc1cc(CC)ccc1CC)c1ccccc1 689623233 YJELBIVVYANPGL-GOSISDBHSA-N 263.384 4.598 30 10 CJEE C[C@H](N[C@H](C)CC1CCCCC1)c1ccc(C#N)cc1 689829301 XNCNJBYQCDLTLY-CABCVRRESA-N 270.420 4.568 30 10 CJEE C[C@@H](CC1CCCC1)Nc1ccc(C#N)cc1Cl 689864073 KSODPIUCJKGNRR-NSHDSACASA-N 262.784 4.592 30 10 CJEE CC(C)(C)[C@@H]1CCS/C(=N/CCCC2CCCCC2)N1 694076663 PWCAUPSLXGKOTG-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE C=C(C)CC[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 695032764 QAYDCVFOFJWIQU-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(N)c(F)c1 695308032 LZKDXHAXWRRJEF-KRWDZBQOSA-N 281.415 4.972 30 10 CJEE CCCCCCCCCCCCN[C@H]1COC[C@@H]1CC 699832767 DOHFLOCNJUXXHE-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C=CC[C@H](C=C)O[C@H]1CCCCCCCCCC[C@@H]1N 705998730 NDCGBQGXFJKRDH-BZSNNMDCSA-N 279.468 4.744 30 10 CJEE CCCCCCCOC[C@H](NCC)C1C(C)(C)C1(C)C 707048573 MMSKLVCWANTCDA-HNNXBMFYSA-N 283.500 4.634 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnc(C2CC2)o1 707547243 IGCHMKLLBXMMOY-OAHLLOKOSA-N 278.440 4.953 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)C)CCC[C@@H](CC)C1 710620464 IKRAOUOUIVAEON-CABCVRRESA-N 257.849 4.714 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CCC[C@H](C)C1 710670232 SAUMIQZSUIYZSU-WFASDCNBSA-N 257.849 4.714 30 10 CJEE CCCCCCCCC[C@]1(O)CCC[C@@H](NCCC)C1 712775363 WDRXIRFWJTURLC-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NC 712977802 DDPIAJRAZMEQTB-BRWVUGGUSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCC2(CCC2)CO1 716532940 MRKBMAUBSYDNJY-SJORKVTESA-N 281.484 4.674 30 10 CJEE CC[C@@H](CC1CCCCC1)Nc1ccc(C#N)cc1F 720939114 DFCWISLWCJPCJC-HNNXBMFYSA-N 274.383 4.858 30 10 CJEE O=C[C@]1(CCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 722137111 QFSLKDJEETVGFY-XEZPLFJOSA-N 297.225 4.931 30 10 CJEE C=C1CCC(CNc2cccc(Br)c2F)CC1 724554094 SHEIKUGDAQXSQB-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(C)cc1C 821218840 BQHUSDRROLZZCG-VHEBQXMUSA-N 267.372 4.634 30 10 CJEE C=CCCC[C@@H](C(=O)NCCCC(C)C)c1ccccc1 1124963119 SVVUNKMOMJRKRR-GOSISDBHSA-N 287.447 4.679 30 10 CJEE C#C[C@H]1CCCCN1C(=O)C[C@@H](C)CCCCCCCC 1134914960 ATESBZPJNHYOMU-ROUUACIJSA-N 291.479 4.778 30 10 CJEE C=C(Cl)CN(CC(C)(C)C)c1ccc(CC)cc1 1170350570 CNFXWEBSKPOEDD-UHFFFAOYSA-N 265.828 4.854 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1OC(C)C 1171920488 HUOADZLTHOVBGT-SJLPKXTDSA-N 287.447 4.698 30 10 CJEE C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 1181007092 CTGPMURPQJCWAH-GSEOLPGOSA-N 296.458 4.584 30 10 CJEE CC(C)(C)c1ccc(C#N)c(N[C@@H]2C[C@@H]2C2CCCCC2)n1 1185554830 FGBTXNHVLCWJHA-HZPDHXFCSA-N 297.446 4.631 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CCC2(CCCCCC2)O1 1191145491 OQHAFJXNDOJZCH-SFHVURJKSA-N 293.495 4.937 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc2ccccc2c1 1198407612 WWGQTOKULQXPLT-IBGZPJMESA-N 265.400 4.770 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccccc1F 1206636749 RHPGGOFDNAVESR-KVSKMBFKSA-N 289.438 4.871 30 10 CJEE C#CCC1(NCc2c(C)cc(Cl)cc2C)CCCCC1 1207655641 YTJDJCKFSCERAQ-UHFFFAOYSA-N 289.850 4.773 30 10 CJEE C=CCC1(NC(=O)CCc2ccc(CC)cc2)CCCCC1 1272725562 BZIRUIQHPPEKJB-UHFFFAOYSA-N 299.458 4.577 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC(C)C)c1ccccc1 1280275678 NFAMRPGUAJCWIW-OTWHNJEPSA-N 297.442 4.526 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCc1c(Cl)cccc1Cl 1307949728 JXGRAWDWHVGYOT-BETUJISGSA-N 296.241 4.719 30 10 CJEE C=CC(C)(C)CCNC[C@H](C)CC1CCCCC1 1308475783 UUCJSWJUPJBFHD-OAHLLOKOSA-N 251.458 4.785 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](CCc1ccccc1)C(F)(F)F 1308643592 WBOMKYJNFRBHFA-CVEARBPZSA-N 299.380 4.885 30 10 CJEE C=CCC[C@@H](CC)N[C@H](CCc1ccccc1)C(F)(F)F 1308643594 WBOMKYJNFRBHFA-HZPDHXFCSA-N 299.380 4.885 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)c1ccccc1 1437619186 HWFJZRDPTICVQJ-FUHWJXTLSA-N 299.458 4.605 30 10 CJEE C=CCCCN(CC)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 1439893171 DQPAWGMDJRQERP-NTCAYCPXSA-N 299.458 4.812 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)cc(F)c1C#N 1458485862 XSAYYYOZNKCWQK-CZUORRHYSA-N 272.367 4.553 30 10 CJEE C=CCCCCCCNC(=O)C[C@H](C)c1ccccc1F 1459914107 MPDDGQCBIZRLFU-HNNXBMFYSA-N 291.410 4.572 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)CCCCC)cc1Cl 1461008806 AZDRAZDHMMZMTI-AWEZNQCLSA-N 295.854 4.963 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccccc2OCC(C)C)C1 1461095003 VXWCIYNOZULPPU-SJLPKXTDSA-N 287.447 4.556 30 10 CJEE C=CCC[C@H](CC)Nc1cnn(CCC(C)C)c1CC 1462098644 OXCAXANDSJCMOW-HNNXBMFYSA-N 277.456 4.648 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1518907380 VKPGWJIGLIBREA-SUMWQHHRSA-N 291.410 4.631 30 10 CJEE C=CCC1(C(=O)Oc2c(F)cccc2Cl)CCCC1 1526247865 BCGFHMOIEHKGGD-UHFFFAOYSA-N 282.742 4.521 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cc(C)c(C)cc1Cl 1526672499 VCFXIVGEUBGGPF-UHFFFAOYSA-N 277.795 4.664 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)CC)cc1 1533110927 YERUEQDXTRJGND-HDICACEKSA-N 297.442 4.697 30 10 CJEE CC[C@@H](C)CCC(=O)Nc1cc(C(C)(C)C)sc1C#N 1535487974 CDLZNBWYUPUKBF-LLVKDONJSA-N 292.448 4.682 30 10 CJEE C=CCCCCN1CCc2cc(Cl)cc(Cl)c2C1 1559590253 JMUKLRBNFLJFNW-UHFFFAOYSA-N 284.230 4.708 30 10 CJEE C=CCCN(C)Cc1ccc(Oc2ccccc2)c(F)c1 1559756927 NNGDEISEGGVZAN-UHFFFAOYSA-N 285.362 4.626 30 10 CJEE C=CCN(Cc1ccccc1)CC1CCC(C)(C)CC1 1560653312 QTTHMWLMVHIIPX-UHFFFAOYSA-N 271.448 4.891 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)C=C(CCC)CCC 1586140164 PLWHPYJASUOLAS-IRXDYDNUSA-N 277.452 4.764 30 10 CJEE C=C[C@H](OC(=O)C[C@H]1CCCC[C@H]1C)c1ccccc1 1586194883 QDJHXODNFYQYDN-OIISXLGYSA-N 272.388 4.673 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1cc2ccccc2s1 1588219875 YUGCWQDABJNZMR-GFCCVEGCSA-N 274.385 4.547 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1CCc2ccccc2CC1 1621004028 GOMYZWXGTHRQDH-ICSRJNTNSA-N 283.459 4.659 30 10 CJEE C=CCCCCCN(C)c1cc(Cl)ccc1C 1643250642 PKZKSFAVMZDPJK-UHFFFAOYSA-N 251.801 4.831 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCC2(CCCCC2)O1 1652196128 CEQPLVZDCVQZJL-ZWKOTPCHSA-N 293.495 4.983 30 10 CJEE C=CCC1(CN[C@@H](C)Cc2ccccc2Cl)CCCC1 1652463388 YQHMELGTUYZYKE-HNNXBMFYSA-N 291.866 4.997 30 10 CJEE C#Cc1cccc(N(CC)CC[C@H]2CCC[C@H](C)C2)c1 1653762622 YAVIYCFBWHGMJM-FUHWJXTLSA-N 269.432 4.711 30 10 CJEE CC#CCCNCc1ccc(-c2ccccc2)c(Cl)c1 1657614420 YHTZYDVROKVOMU-UHFFFAOYSA-N 283.802 4.510 30 10 CJEE C=CC(C)(C)CCCNCc1ccc2c(c1)CCCC2 1658541219 BZEBAKLDWYAUCV-UHFFFAOYSA-N 271.448 4.647 30 10 CJEE C=CCC[C@@H](CC)N[C@H](C)c1ccc2c(c1)CCCC2 1659356806 AYXNPRMFBPNNPA-DNVCBOLYSA-N 271.448 4.961 30 10 CJEE C=CCCCCCCCNC[C@H]1CCc2ccccc21 1659961479 RXVMFQSUBXXIOA-GOSISDBHSA-N 271.448 4.833 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Oc2ccccc2)o1 1662936214 GHPZUNZSDLGIIU-UHFFFAOYSA-N 285.387 4.906 30 10 CJEE CC[C@H](C)c1ccccc1Nc1nccc(C)c1C#N 1859847286 SYVTWJZMAOFUNR-LBPRGKRZSA-N 265.360 4.519 30 10 CJEE CCCCCCCCCN1CC2(CCCC2)CC1=O 1883431195 ZWXTXAWCGCANAB-UHFFFAOYSA-N 265.441 4.530 30 10 CJEE CCCCC#CCN(Cc1ccccc1)[C@@H](C)C(C)C 1884062657 KFKOTFQLOWRZHG-SFHVURJKSA-N 271.448 4.727 30 10 CJEE CCCCCC#CCN(Cc1ccccc1)C1CCC1 1884063581 USFBUDXMMXQGME-UHFFFAOYSA-N 269.432 4.625 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCCC[C@@H]2C2CC2)CC1 1884407869 RKIZWKZISFXHBC-MSOLQXFVSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@@H](NCC)C1CC2(CCCC2)C1 1885229940 VDOLKYUWVIBSCF-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(F)cc(Cl)c1 1918799488 AZCNNXKXGLQMTC-CQSZACIVSA-N 256.748 4.649 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CCC=CO1 1919516170 UHUXYQKCPJKHPB-HZPDHXFCSA-N 254.414 4.571 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1cscc1Cl 1920331355 BFNZCWCTMWYILP-KBPBESRZSA-N 289.872 4.513 30 10 CJEE 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297.464 4.585 30 10 CJEE CC1(C)CCCCC[C@@]1(O)C(=O)C1=CCCCCCC1 2147278367 DLWGHUQZZPOMHS-GOSISDBHSA-N 278.436 4.558 30 10 CJEE CCCCCCCCC[C@H](NC)[C@](O)(CC)[C@@H]1C[C@H]1C 2148614091 WFYPBOLGPBTRFQ-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)c1ccc(C)o1 2149854642 GIEJZADASNNAPO-QGZVFWFLSA-N 273.420 4.603 30 10 CJEE CC[C@@H]1CC[C@H](CNC)[C@@H](CC#CC2CCCCC2)C1 2149865729 WEJWJXBOKXACMD-NZSAHSFTSA-N 275.480 4.622 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C(F)(F)C12CCC2 2149883139 NININBGOMJSMJU-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE CCCCCCCCCNc1ccc2c(c1)COCC2 2152800888 ZGPKSEJMHXXEQE-UHFFFAOYSA-N 275.436 4.922 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC(C)(C)OC1(C)C)C(C)(C)C 2152941180 GAZOTDYPIFJAQB-GJZGRUSLSA-N 281.484 4.551 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)c(OC)c1)C(C)(C)C 2152941955 IXCVLQOZCLFCPD-QGZVFWFLSA-N 275.436 4.647 30 10 CJEE Cc1ccc(N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)c(C#N)c1 2153411216 HWSXWWRDQFDFGL-SCAQPMJSSA-N 268.404 4.638 30 10 CJEE N[C@]1(CC#CC2CCCCC2)CCC2(CCCCC2)C1 2154701651 ZJHCHTVFDSPYEL-LJQANCHMSA-N 273.464 4.792 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NC)c1cc(C)cs1 2156081930 QDPGHBMMJYRSJU-DOTOQJQBSA-N 297.508 4.819 30 10 CJEE Cc1cc(C#N)ccc1NC[C@@H]1CCCC(C)(C)CC1 2157114719 XOLANAZBFDMCTN-OAHLLOKOSA-N 270.420 4.885 30 10 CJEE C=C1CCC(N[C@H](C)c2ccccc2C(F)(F)F)CC1 2157442019 DRSRLOFGUFETAN-GFCCVEGCSA-N 283.337 4.855 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(-c2ccccc2)cc1 2158305860 NTEUBBJVCFVPSL-BEFAXECRSA-N 266.384 4.989 30 10 CJEE CC1CCC([C@@](C)(O)C2(C#N)CCC(C)(C)CC2)CC1 2158450550 ONJKBXCSGISRCK-VMBOVVBDSA-N 277.452 4.674 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1snc2ccccc12 2159954410 OHKZCQZPDBMSKX-BBRMVZONSA-N 288.460 4.939 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccccc2C2CC2)CC1 2160405485 SIBNSYJVUVEXQU-LJQANCHMSA-N 269.432 4.961 30 10 CJEE CCCCCCCCCO[C@@H]1CCCCC1(OC)OC 2162038874 NCYGJJVDJJHDRQ-MRXNPFEDSA-N 286.456 4.685 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc([C@H]3C[C@H]3C)o2)CC1 2164157164 RZPNBROVHSFPDI-KBMXLJTQSA-N 273.420 4.800 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cc2ccccc2cn1 2164459697 GHVYLBMQHHFWPT-GOSISDBHSA-N 269.388 4.563 30 10 CJEE CCCC[C@@](C)(C#N)Cc1cc(C)nc2ccccc12 2164482438 QHSZVIWCGUZLLG-GOSISDBHSA-N 266.388 4.806 30 10 CJEE CN(c1cc(Cl)ccc1C#N)C1CC2(CCCCC2)C1 2164863996 XYTQDOOGTBLLFJ-UHFFFAOYSA-N 288.822 4.761 30 10 CJEE C#CC(C)(C)C[C@H](NCC)c1cc2cc(F)ccc2s1 2167604889 VFIPMSDSKKRQGR-AWEZNQCLSA-N 289.419 4.741 30 10 CJEE CC[C@](O)(C1CCCCC1)[C@]1(C#N)CCCC(C)(C)C1 2168554645 QVDUMNAKYURKHY-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCC[C@@H]([C@](C)(O)C2(C#N)CCCCCCC2)C1 2168626859 IWGYUBMXDSGSOL-ZACQAIPSSA-N 277.452 4.818 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCCC(F)(F)C1 2168896319 KKWCUWREUPAUTA-CABCVRRESA-N 285.422 4.620 30 10 CJEE CCC1(C)CCC(NC[C@H](C#N)C2CCCCC2)CC1 2171536749 FOWHQBLBVJCICL-AOCRQIFASA-N 276.468 4.655 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CC(C)(C)OC1(C)C)NCCC 2173289648 GHLBJZPDJNBXKT-ARFHVFGLSA-N 281.484 4.551 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1F 2173290299 LQPSKLORDDTMGC-IINYFYTJSA-N 289.316 4.707 30 10 CJEE CCCCCCCO[C@@H]1CC(=O)[C@]12CCCC21CCC1 2173653372 XCDHSAYMNKZKMT-SJLPKXTDSA-N 278.436 4.655 30 10 CJEE CC(C)(C[C@@]1(C=O)CCCCC12CC2)c1ccccc1 2173676312 NDZQCKKCAONWIM-LJQANCHMSA-N 270.416 4.894 30 10 CJEE Cc1ccc(C)c(C[C@@]2(C=O)CCCCC23CCC3)c1 2173676412 NVUDEEOMXXYSHC-LJQANCHMSA-N 270.416 4.776 30 10 CJEE CCCCCCCCO[C@@H]1CC[C@H](C)[C@@H](NCCC)C1 2175771440 HGIYQGBYWRGTDQ-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CCC1(C)CC1 2179762060 CFYHLINXEIJRGU-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCC1CC(N[C@@H](CC#N)c2ccccc2)C1 2180055267 CFMYJIRPLPWJST-VJFUWPCTSA-N 270.420 4.590 30 10 CJEE CC[C@H]1CC=C(C(=O)C2(O)CCCCCCCC2)CC1 2181671997 ZTLNZYAQYYTBHO-HNNXBMFYSA-N 278.436 4.558 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)C1 2182784418 OOPNHMGARPWVRX-ZNFSNMQZSA-N 275.436 4.548 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncnc2sccc12 2183787261 NKBGDRIKQKGEIN-CQSZACIVSA-N 291.464 4.702 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(C(C)(F)F)cc1 2184814194 HKKHNKNLWCGIQI-INIZCTEOSA-N 279.374 4.643 30 10 CJEE N#Cc1ccc(NCC(F)(F)C2CCCCC2)cc1Cl 2185383939 CQUJOZKFZSBIDC-UHFFFAOYSA-N 298.764 4.839 30 10 CJEE C=CCC(C)(C)OC(=O)c1cc2c(s1)CC[C@@H](CC)C2 2187254634 ZVISBJNUXHPZBO-GFCCVEGCSA-N 292.444 4.775 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCOC12CCCCC2 2190283219 KJECQJACCXPUAI-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CCCCCCCCCN1CCC2(CC1)CC(OC)C2 2195534567 CCTHRBXXLXOBTK-UHFFFAOYSA-N 281.484 4.628 30 10 CJEE CCCCCCCCCN1CCC[C@@H](COCCC)C1 2195536299 ZXJKGBCXPIHEOH-GOSISDBHSA-N 283.500 4.876 30 10 CJEE CCCCCCCCCCCCN1C(=O)[C@H]2CCC[C@@H]21 2195920622 OTIDBTSSIRKLEL-IRXDYDNUSA-N 279.468 4.918 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCCC[C@H]21 2196174898 SJDGEZNJMSXZPC-MANSERQUSA-N 275.480 4.765 30 10 CJEE C#CC[C@H](C[C@@H](NC)c1cc2ccccc2s1)C1CC1 2196837559 RSAJNKWOWOPRNM-GDBMZVCRSA-N 283.440 4.601 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1cc(F)ccc1Cl)C1CC1 2196856897 IFYMDIMVXBSIPS-SUMWQHHRSA-N 293.813 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H](C(F)F)C(C)(C)C)NC 2197155936 USZHZUORMIJGIF-GJZGRUSLSA-N 281.390 4.605 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1C[C@@H]1C1CCCCCC1 2200155070 IWOZOIZHZSGZMO-QRVBRYPASA-N 275.480 4.765 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@@H]2C2CCCCCC2)CCCOCC1 2200494611 UCHOIHNGBDBBFE-RCCFBDPRSA-N 275.436 4.693 30 10 CJEE C#C[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)C1CCCCC1 2203799735 BNWYHKIBYDFIHI-NXHRZFHOSA-N 275.480 4.763 30 10 CJEE CCCCC#CC[C@](C)(N)c1ccc2ccccc2c1 2203820052 SHAFPKYFZNUJJT-IBGZPJMESA-N 265.400 4.597 30 10 CJEE CCCCC#CCN(C)C[C@H]1C[C@@H]1C1CCCCCC1 2203849717 TUCWFIPCWFZYPI-RTBURBONSA-N 275.480 4.718 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(F)c(F)cc1OC 2204499617 QEVAXLMXRWBLSJ-OAHLLOKOSA-N 285.378 4.594 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1[C@H]2CC[C@H]3C[C@H]2CC[C@@H]13 2205254073 JKGFHLBLUYZDIS-CNEDOQHNSA-N 273.464 4.536 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1Cc2ccccc2S1 2206902846 NHMUTTJHLBJDCV-FUHWJXTLSA-N 289.488 4.818 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1C[C@@H]2COC[C@@H](C2)C1 2206982101 UPSOKWVXLLWKKQ-DFGXFYAUSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@](O)(CC)C(F)F 2207377653 OOCKRRPNAAGTIY-INIZCTEOSA-N 290.394 4.659 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1csnc1OC 2207405390 RQORQEBULNVPRR-OAHLLOKOSA-N 296.480 4.848 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H](CN)CCC 2207405795 UBXOAUUCWBJEOQ-ROUUACIJSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)C(C)(C)C(C)C 2207407673 FKIISPUYOPLQLA-IRXDYDNUSA-N 283.500 4.664 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1cnn(C2CC2)c1 2207431276 DERYPCXNNKRWPJ-QGZVFWFLSA-N 276.424 4.558 30 10 CJEE C=CCCCCCCCC[C@H](N)c1nccc(C)c1F 2207432439 PAMAUNAESKOJFP-HNNXBMFYSA-N 278.415 4.836 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1CC2(CC2)CO1 2207440090 WOECNBQYQJXYTL-SJORKVTESA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](N)C[C@H]1CCCOCC1 2207440571 WFZYZLRJAQNUSO-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](C[C@]12CCC[C@@H]1C2)NN 2207442271 PNWZWFUFQQKYBN-KZNAEPCWSA-N 278.484 4.705 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC1CC(CC)C1)NC 2207448332 LAKGXABMULILOL-FOIPXRHGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCCC)[C@@H](C)C(C)C 2207460131 YYXQZPRNVDIFCS-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](C)N(CCN)Cc1ccccc1 2210076865 SXWRCYIAIMOBJP-SFHVURJKSA-N 290.495 4.586 30 10 CJEE C=CCCCCCCC[C@@H](N)c1scnc1Cl 2214624266 SICKFDRCPHCHNV-LLVKDONJSA-N 272.845 4.713 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](CC)CSC 2217314989 TWZLZPVTNRDXLJ-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1C 2220089611 RPJRBHUVAMIOPO-QLFBSQMISA-N 288.522 4.501 30 10 CJEE N#Cc1ccc(N)cc1Sc1cc(Cl)ccc1Cl 2221799098 NFWJFFDDGSDFMB-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C=CCCC[C@@H](NCC)[C@H]1CC[C@H](CCC)CC1 2222307973 RZILMSKMGHGEBZ-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCOCCC[C@H](C)NCC 2223188191 JQAIWJPXSTVAPQ-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCOCCC[C@H](O)CC 2223232038 XXUFASVDVQMEFP-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE C[C@@H](CC(C)(C)C#N)OCc1ccc(Cl)cc1Cl 2223296714 QIZZUIZLSWXJPM-JTQLQIEISA-N 286.202 4.838 30 10 CJEE C=CCCCCCCCNCC=Cc1ccccc1 2227270820 HCZXUYSZCASPLF-UHFFFAOYSA-N 257.421 4.816 30 10 CJEE C=CCCCCCCCSc1cc(OC)ccc1N 2227285522 FFIQBMLFSVRABQ-UHFFFAOYSA-N 279.449 4.896 30 10 CJEE C=CCCCCCCCN(CC)CCc1nccs1 2227286274 WZBMZASJZVCQKT-UHFFFAOYSA-N 280.481 4.534 30 10 CJEE C=CCCCCCCCN1CCC[C@]1(C)P(C)(C)=O 2227514777 BHTCXTANAQXCAH-INIZCTEOSA-N 285.412 4.948 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2228031452 CCLGGTQQIXSQML-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CC(C)(C)CCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2230655498 QUQUMAYZVCZORK-BRWVUGGUSA-N 263.469 4.785 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@H]1CCCCC1(F)F 2231540441 YPFBUSQIXFWLIL-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CCCCOc1ccc(CN[C@H](C)CC)c(Cl)c1 2231582813 UEPZPDVGWJYWPC-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(Cl)cnc1OC 2232983626 YFYQQOYFCJNWRD-OAHLLOKOSA-N 299.842 4.918 30 10 CJEE C=CCC[C@H](C)[C@H](NC)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233658909 WWDWZZWUBXSCRH-IXIBIKRGSA-N 285.422 4.638 30 10 CJEE N#Cc1cccc(OCCCSCCCCC2CC2)c1 2235464082 NIVDVXHDPWIRAF-UHFFFAOYSA-N 289.444 4.641 30 10 CJEE C=CCCCCCCC[C@@](C#N)(C(=O)OCC)C(C)C 2235512455 DGOUJUXVPGUYBS-KRWDZBQOSA-N 279.424 4.632 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1csc2cncn12 2235524251 OHCOKNYGQSNHRS-CQSZACIVSA-N 291.464 4.573 30 10 CJEE C=CCCCCCCCOc1ccc([C@@H](C)N)c(F)c1 2235524325 PAPVBJSIWNUZKF-CQSZACIVSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(N(C)C)cc1 2235525167 YFUHDXGHQICRLX-SFHVURJKSA-N 274.452 4.669 30 10 CJEE C=CCCCCCCC[C@]1(CNCC)CCO[C@H](C)C1 2235527676 XRLSSPNVLZROPZ-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@](O)(CC)c1cccc(C)n1 2235532362 JPUROOVSCYOVBX-GOSISDBHSA-N 275.436 4.904 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CCC(C)(C)CO1 2235768385 GKAQHZPSJFVWTO-KRWDZBQOSA-N 281.484 4.650 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cccc(Cl)c1[N+](=O)[O-] 2236882465 AGKLODLHQMCFDS-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CCCCCCCOCC1(CNCC(C)C)CCCC1 2239391628 OSCVKLCPTFBJAK-UHFFFAOYSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1NC 2239454188 DSJBITIQHYDAED-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOC[C@H](NCCC)C1(C)CC1 2239465336 VSMARAHABBQHCQ-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCOCCN[C@@H]1CCCC[C@H]1C 2239492503 KRYYMGLHSOGMKK-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOC(F)(F)C(=O)OCC 2239493860 XMTBFQLZTVJFMO-UHFFFAOYSA-N 294.382 4.690 30 10 CJEE CCCc1ccccc1C(=O)C#Cc1ccc(Cl)cc1 2239557304 SQYSRCPFABOVFI-UHFFFAOYSA-N 282.770 4.527 30 10 CJEE CCCc1ccc(C#C[C@@](C)(O)CCC(C)(C)C)cc1 2239653807 XZROASSKJSUQTI-LJQANCHMSA-N 272.432 4.568 30 10 CJEE C=CCC(C)(C)Oc1c(C)sc(CN[C@@H](C)CC)c1C 2240069825 DNKCRAMVRMZWEN-LBPRGKRZSA-N 295.492 4.987 30 10 CJEE CC#CCCCCN(C)Cc1ccc(C2CCC2)cc1 2240291892 VEUUBXZFZOTHBN-UHFFFAOYSA-N 269.432 4.580 30 10 CJEE CCC#CC[C@@H](NCCC)c1ccc(C2CCC2)cc1 2240356166 XQCGKOCBOOOBQJ-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CC(=O)c1ccc(Oc2cc(Cl)ccc2C#N)c(C)c1 2240789082 KVKHMOIFBXNRKT-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE N#C[C@]1(Cc2coc3ccccc23)CCCC(F)(F)C1 2241141902 FVRSNDOJIJAQGK-HNNXBMFYSA-N 275.298 4.695 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc2occc2c1 2241152318 NZHVAWZCPVGHQG-GDBMZVCRSA-N 271.404 4.556 30 10 CJEE CCC[C@H](CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 2242040598 WRXKBAQDQGDDAP-SOUVJXGZSA-N 296.455 4.740 30 10 CJEE C=CCSCCCCCCCCCCC(=O)O 2253291510 UFEQRVTVKZXYFZ-UHFFFAOYSA-N 258.427 4.501 30 10 CJEE N#Cc1cccc(F)c1Oc1cccc(Cl)c1Cl 2254545177 ONVYWYHLDHCWDF-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=CCCCS[C@@H]1CCCCCC[C@H]1NCCC 2258998595 YMFSUHTYEWUBCB-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(C(F)(F)F)cs1 2259212025 VGWOEXQPTWUJIO-LLVKDONJSA-N 278.339 4.937 30 10 CJEE N#C[C@]1(C[C@]23CCC[C@H]2CC3)CCCC(F)(F)C1 2260644815 DFYAFMYDOSWPPT-MELADBBJSA-N 253.336 4.676 30 10 CJEE C#CC[C@@H](C)CN[C@H](C)CCCCCCCCC 2263712314 NEOPHJKTXOOPDH-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC(F)(F)[C@@H]1O 2271512459 RSBHWHVBBNVJQH-UONOGXRCSA-N 292.435 4.795 30 10 CJEE C=CCCCCCCCSc1nc(C[C@@H](C)N)cs1 2271515900 PIYJCWJLVCRZIQ-CYBMUJFWSA-N 298.521 4.652 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 2271584000 DQLIFXGWOUUKKM-MGPQQGTHSA-N 284.465 4.601 30 10 CJEE C=CCCCSc1cccc(C)c1CN[C@H](C)CC 2271596508 KGKSQJAFWIJYEC-OAHLLOKOSA-N 277.477 4.941 30 10 CJEE C=CCCCCCCC[C@@H](N)c1csc(C)c1OC 2271697062 MHGVQPOOAIHUIV-OAHLLOKOSA-N 281.465 4.982 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCCCCCCOC)C1 2271908139 BNZSPRORLRVBLA-OWCLPIDISA-N 283.481 4.645 30 10 CJEE CN[C@H](CCC#CC1CCCC1)c1ccccc1Cl 2274131978 XXPHRVXQWQBCNZ-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE C=C(Cl)C[C@@H](Cc1cccc(C(C)(C)C)c1)NCC 2274505019 SEGNTYSDZVDYEO-INIZCTEOSA-N 279.855 4.647 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H](C)CCC 2276826691 MZUWUFVHUYJKKW-DLBZAZTESA-N 269.473 4.683 30 10 CJEE C=CCCCC[C@](CC)(CCC(C)C)OCCCN 2277267256 BYUKWIQQKCQFOM-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CC(C)CCC[C@H](C)CCOCc1ccsc1C#N 2277459537 GVKPBOYPAMGPML-AWEZNQCLSA-N 279.449 4.989 30 10 CJEE C=CCCCCCCN1CC[C@]2(CCC(F)(F)C2)C1 2277722829 YBVJRCHZVUHMFC-HNNXBMFYSA-N 271.395 4.634 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](OC)C1CC1 2278248291 RVQCQCLDDSIGEE-WBVHZDCISA-N 269.473 4.530 30 10 CJEE C=CC[C@H]1CCCCN(CC2(C)CC(C(F)(F)F)C2)C1 2279458573 QXWAJENOOSOCDI-NFOMZHRRSA-N 289.385 4.643 30 10 CJEE Cc1cc(OCC[C@H]2CCCCC23CC3)ccc1C#N 2279642223 DCLFVRGFFGSRAN-MRXNPFEDSA-N 269.388 4.606 30 10 CJEE C[C@@H]1CCC[C@H](CCO[C@H]2CC(C)(C)CCC2=NO)C1 2279806620 ITTSXFAWXURWMB-FMKPAKJESA-N 281.440 4.628 30 10 CJEE C=CCCCCCC[C@]1(C(=O)O)CC(F)(F)C12CCC2 2280871990 RNFKIDVGFHHVRD-CQSZACIVSA-N 286.362 4.793 30 10 CJEE CCCN[C@@H]1C[C@@H](C)C[C@@H](CC=CC#CC(C)(C)C)C1 2284070347 FGPOPBJNZNVYKF-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)c1csc2ccccc12 2284086582 SRXNLYTVMFYEKU-MRXNPFEDSA-N 283.440 4.897 30 10 CJEE CCC(CC)(C(=O)CC=CC#CC(C)(C)C)C(F)(F)F 2284105759 PYUGJTRMABIWJS-UHFFFAOYSA-N 288.353 4.920 30 10 CJEE C#Cc1cccc(N(CC)CCCCC[C@H]2C[C@H]2C)c1 2284945510 KTQAUZAHAKOXCI-AEFFLSMTSA-N 269.432 4.711 30 10 CJEE CCCCCCCCOC[C@H](N)c1ccc(F)cc1C 2285152145 XGBPTEQNUFXXOL-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE CCCCCCCCN(C)c1ccc(C(C)=O)c(C)c1 2285160465 LGCBDZUBAVGGJZ-UHFFFAOYSA-N 275.436 4.994 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cccc2c1CCCC2 2285251018 INTQZLZZDWNBGL-UHFFFAOYSA-N 283.758 4.883 30 10 CJEE CCCCN(C[C@@](C=O)(CC)CCC)c1ccccc1 2287671850 BRFQTCPMSXCLGT-GOSISDBHSA-N 275.436 4.689 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1 2287676465 YSFAUUVJKWVTEQ-ZJPYXAASSA-N 281.484 4.528 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@]1(C)CC[C@H](C)C1(C)C 2289684910 ATTYJUOPEPPCHY-KVSKMBFKSA-N 275.480 4.621 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1CCC[C@H]1C(C)C 2289688007 QRUOLKZWBNNYNE-GBESFXJTSA-N 275.480 4.621 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@]1(C)CC=CCC1 2289700813 QBAPNWZDQMDDEZ-MOPGFXCFSA-N 273.464 4.685 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCC[C@@H](C)C1 2290913545 ALDHDGCNPZBWCX-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC1(OCC(=O)O)CC2(CCC2)C1 2291567356 GIZROMWEJIJFMN-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE C=CCCCCCCCC[C@H](CC(C)C)OCC(=O)O 2291665524 LICOCSRZBBEUOV-MRXNPFEDSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC=CCC1)OCCCN 2292918702 HBZYCNQZXXQXOT-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](CCC1(F)CCC1)OCCN 2293736682 KFHISFBCJYNYGQ-MRXNPFEDSA-N 287.463 4.753 30 10 CJEE CCCCCCCC[C@@H](C[C@]1(C)CC1(F)F)OCCN 2294013675 ZCLCHKSUABYIQW-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1scc(C)c1C 2294019183 USPZEPDJZKJKOR-INIZCTEOSA-N 295.492 4.908 30 10 CJEE CC1(C)CCC(C)([C@H](N)C#Cc2ccccc2Cl)CC1 2295196794 JAEMEBKPCKUZPN-MRXNPFEDSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCNC[C@H]1CC 2295514711 MBVUACIQSRDWCX-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N1[C@H](CN)CCC[C@H]1C 2295536775 RRKQQVBBANFKIA-KSZLIROESA-N 282.516 4.717 30 10 CJEE C=CCCCO[C@@](C)(CCCCCCCCC)C(=O)O 2295597846 AMDMQYJTJCAYOL-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCS[C@@H]1CCC[C@](C#N)(NCCC)[C@H]1C 2295693644 IEXBFDHUYZCHMQ-GVDBMIGSSA-N 296.524 4.750 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(CC1(C)CC1)NC 2295710220 GBKPVEKVIHFOFL-RDJZCZTQSA-N 296.524 4.608 30 10 CJEE CC[C@@](C)(COCC1(CS)CCCCC1)C(F)F 2314876257 ZRJCXPNSGMNUHO-ZDUSSCGKSA-N 280.424 4.565 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H]1CC[C@H](CCC)CC1 2316745892 BSBBOJNQLJKCKI-XIRDDKMYSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@H](CCCC(F)F)NCCC 2316746823 LITMJCWFYGIIAO-AWEZNQCLSA-N 259.384 4.558 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CC[C@@H]2C(C)(C)C)C1 2320314802 LIXJRWJEJNYAAR-PNBKFKSVSA-N 250.426 4.844 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329795312 XEIQQYWJOHGPPJ-ZQNQSHIBSA-N 267.363 4.778 30 10 CJEE C[C@@H]1CCCCC1=NOCc1cc(Cl)ccc1F 2329917842 QHZOGPFISOVFDS-SNVBAGLBSA-N 269.747 4.562 30 10 CJEE CC(C)CC(CC(C)C)OCc1ccccc1C#N 2335172186 GXCSUUAFHDGYRN-UHFFFAOYSA-N 259.393 4.536 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H](C)CC1CC1 2335188856 UTSAEELBCQTYAX-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1C[C@@H](N)CC 2335597072 QVYRKZMMYAUDAE-OLZOCXBDSA-N 297.895 4.985 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1ccnc(C(C)(C)C)c1 2337096611 FGGXUZSEBZNMNS-ZFWWWQNUSA-N 258.409 4.536 30 10 CJEE CCCCCCCC(=O)c1ncccc1C(F)(F)F 2338057878 BFHONQARDBQMPX-UHFFFAOYSA-N 273.298 4.644 30 10 CJEE C=C(C)CCCCNCc1cc(F)ccc1C1CC1 2341559067 ZEDQAJYKXFYCCB-UHFFFAOYSA-N 261.384 4.539 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc(CC(C)C)c1 2341885113 PVOCPQNUXDKUPT-MSOLQXFVSA-N 257.421 4.502 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CC2CCC1CC2)NCC 2344338963 FGSCYVQGPPYWHC-SJJHQCBESA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H]1C[C@@H]1C1CC1)NCCC 2344345316 MPFRBMUXJIQMGY-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(C)(C)C(F)(F)F)NC 2344354904 DGHFLWZLPMJSIH-TZMCWYRMSA-N 279.390 4.936 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2344371655 LXIAABDDEOUMJQ-LAVFITLUSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@@](C)(O)c1cncc(C(F)F)c1 2353529133 AQKBSRMHRFJVCN-OAHLLOKOSA-N 271.351 4.587 30 10 CJEE CCCCCCC[C@@](C)(N[C@@H](C)c1ccsc1)C(=O)O 2353869441 HZDOFWYBGMAVQI-XJKSGUPXSA-N 297.464 4.603 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@@H]2OC 2354380284 LFZFIPIEVYQTGO-XSLAGTTESA-N 281.484 4.660 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1C[C@@]2(C)CO[C@@H]1C2 2360180169 TWIIMQVPQWSZDR-BRSBDYLESA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)c1cccc(F)c1 2360201585 OTINNUQMEXCSFE-QGZVFWFLSA-N 293.451 4.730 30 10 CJEE Cc1ccsc1[C@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@@H]21 13645608 OEDUUOSGYKPLKO-ZQIUZPCESA-N 292.407 4.755 30 10 CJEE CCC[C@@H](C)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 36790547 QSTTUQMLFHCECP-NXWXRZEISA-N 284.447 4.583 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Sc1ccc(Br)cc1 37156649 POHVAFASCAKYQP-MFKMUULPSA-N 296.233 4.624 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1cc(F)ccc1F 37333855 NMTOOTRCPNEQKC-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCc1c(-c2ccc(C#N)c(Cl)n2)oc2ccccc12 43401898 FNOJKGMQGYRDDE-UHFFFAOYSA-N 282.730 4.582 30 10 CJEE Cc1ccc(NC(=NC(C)(C)C)Nc2ccc(C)cc2)cc1 48554217 CQNCHBSPKJIXQG-UHFFFAOYSA-N 295.430 4.982 30 10 CJEE Cc1ccc([C@@H](C#N)CCCOc2cccc(F)c2)cc1 57684773 PMDHBVNBABYYLE-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE CCCCCCCOc1ccc2ccccc2c1CNC 59295550 BLYOXBMJOZVURC-UHFFFAOYSA-N 285.431 4.908 30 10 CJEE CCCC[C@H](CC)c1nc2cc(C#N)ccc2n1C1CC1 86636907 XQSARVJZBBZOGL-AWEZNQCLSA-N 281.403 4.927 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(NC2CCCCCC2)CC1 86949535 GOEZIJHZMOTRCT-SJLPKXTDSA-N 276.468 4.797 30 10 CJEE CC1(C)CCC(C#N)(CCc2ccc([N+](=O)[O-])cc2)CC1 87940139 ZCMGEIBRDSIZSB-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE Cc1cc(C)cc(OCC2(CS)CCCCCC2)c1 94582894 OGNBAKRSCYKIJU-UHFFFAOYSA-N 278.461 4.953 30 10 CJEE CC(C)Cc1ccc([C@H](C#N)Nc2cccc(F)c2)cc1 94896914 IVVPOYPXOBKPCD-SFHVURJKSA-N 282.362 4.701 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)C2(CC(C)C)CCCC2)cc1 94902810 VGIYGKNKTMUGRC-KRWDZBQOSA-N 283.415 4.778 30 10 CJEE SCCNCCCCCCCC1CCCCCC1 96328035 FPJRHVBIRQOXQH-UHFFFAOYSA-N 271.514 4.817 30 10 CJEE CCCCCCCn1c(C(C)(C)C)nc2c(N)cccc21 104325334 CQRWUGNASNOMPD-UHFFFAOYSA-N 287.451 4.886 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)C[C@H]2CC[C@@H]1C2 109673488 OEOQUVBCDMWGOD-SQWLQELKSA-N 252.398 4.628 30 10 CJEE CCCCCCCO[C@H]1Cc2ccccc2[C@H]1NCCC 110081287 OGZILKYQVPJSQD-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1CCOC1 114995822 SDEXKSOIOZPCPX-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1cccc(F)c1 117327986 FUZZDFSJIUGUNT-MRXNPFEDSA-N 266.400 4.727 30 10 CJEE Cc1ccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)o1 120089564 FTGLNHKPYKHIDG-CMDGGOBGSA-N 295.363 4.608 30 10 CJEE CCCCCCCCCCNc1cc(C)nc(C)n1 124873649 CQAXCTCETNYIKT-UHFFFAOYSA-N 263.429 4.646 30 10 CJEE CCC(=O)c1ccccc1Oc1c(C)cc(C#N)cc1C 127450746 HEUKRCZXLFPEDI-UHFFFAOYSA-N 279.339 4.560 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(C)(C)OC 127585731 ZDYVTBOWHCMALZ-INIZCTEOSA-N 286.504 4.554 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(O)C1(C#N)CCCCCCC1 132205230 BHVOLMYJYOJNIS-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(C)nnc1C 143426065 HYNWKOARMVGZGO-SFHVURJKSA-N 291.483 4.885 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1sccc1Cl 156945568 ZHCSDKRHZLIUNJ-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE CCCCCCCC[C@@H](O)c1cncc(OCCC)c1 157144693 BPHOAMAYMSFWGN-QGZVFWFLSA-N 279.424 4.654 30 10 CJEE CCCCCCCn1ccc2ccc([N+](=O)[O-])cc21 159722174 ZSEGUNRSIHEZAV-UHFFFAOYSA-N 260.337 4.520 30 10 CJEE CCCCCCCCNc1ncc(Cl)cc1F 161076264 HXUNLZHFYBBXHT-UHFFFAOYSA-N 258.768 4.647 30 10 CJEE CC1(C)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164480332 OAVKLQMIBJVLDH-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165724552 SVZUGJJUNHJLBG-IAGOWNOFSA-N 279.468 4.920 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(F)c(Cl)cc1F 167820585 FVIUSUBYZBSWHV-CQSZACIVSA-N 273.754 4.625 30 10 CJEE CCCCCCCCCCCc1nc2c([nH]1)CCC[C@@H]2N 216857818 SLHPCTNDMVJERO-HNNXBMFYSA-N 291.483 4.819 30 10 CJEE CCCCCCCC[C@@]1(N)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 217896851 DRBZMORDIBFUNN-CWQOZTLDSA-N 263.469 4.891 30 10 CJEE CCCCCCCCC[C@H](NC)C1(OC)CCCC1 228208855 KFOOPDBDIOUUFV-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CC(C)(C)c1ccc(SC[C@@H](C#N)C(F)(F)F)cc1 232561221 AQDUUYQAPHOIQQ-LLVKDONJSA-N 287.350 4.778 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cccs1 233124842 JIZQVAXTCSLPEW-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE C=C[C@@H](C)Nc1ccc(Br)c2ccccc12 235275744 UTHCTPSPMZUYDS-SNVBAGLBSA-N 276.177 4.589 30 10 CJEE N#Cc1ccc(-c2cc(Cl)sc2Cl)nc1Cl 236073258 KXZPIWIKHFTOHU-UHFFFAOYSA-N 289.574 4.642 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Cl)c(F)c1 236302891 OQDHBDCXTYFDDY-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE CCCCCCCCN1C[C@H](CC(C)C)NC[C@H]1CCC 250821424 LGRWPWPGLUKXSG-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](CN)C[C@H]1C 250826543 NXQPZDMXHJXUII-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1csc(Cl)c1 307922508 HMTMZZMBNQGPLA-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE C=CC[C@@H](NCCC)c1ccccc1OCc1ccccc1 309888342 AHYKTXOTXZKERE-LJQANCHMSA-N 295.426 4.882 30 10 CJEE CCCCCCCCCCN1[C@H](C)C[C@@H](C)C[C@@H]1CN 312414688 XPDNDKVDFWXZGX-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCC[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCCC1 313396713 OWNIKTNOHWINSX-INIZCTEOSA-N 276.811 4.982 30 10 CJEE O=CC1(C[C@@H]2CCC(F)(F)C2)CCCCCCC1 317035608 VNWBPSPNRPWDJN-ZDUSSCGKSA-N 258.352 4.742 30 10 CJEE C=C(C)C[C@@]1(CNCC(C)C)CCC[C@H](CC)C1 318671991 ZKDFGJMKKJGKNV-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE C#C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccccc1 378705196 MVQRIGHAWLWGGZ-GOSISDBHSA-N 263.384 4.771 30 10 CJEE CCCCCCCn1ccc2c(SC)cc(N)cc21 380909510 TYZVRVIATUTKIO-UHFFFAOYSA-N 276.449 4.916 30 10 CJEE C[C@@H](C1CC1)N(Cc1ccccc1)[C@H]1C[C@H](C)CC[C@@H]1C#N 385909951 GIYHUHSPFKONNE-GJJHYRHESA-N 296.458 4.615 30 10 CJEE CCCCCC[C@@H](C)OCCCB1OC(C)(C)C(C)(C)O1 393913221 PWSIGHSSDVINMM-OAHLLOKOSA-N 298.276 4.844 30 10 CJEE CCCCCCCCC[C@H](CCOC(C)C)NCC 395524118 PLENNTUWKDVCSS-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE N#C[C@@H](CSc1ccc(F)cc1)C1CCCCC1 397150266 FPPBDJPLMYTJQQ-ZDUSSCGKSA-N 263.381 4.638 30 10 CJEE C=CCCC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 398107743 WDQWQIICCNVMGM-NSHDSACASA-N 282.771 4.713 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1Cl 398198499 UXJQCLMRUKBXKI-NEPJUHHUSA-N 269.791 4.875 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)CC(F)(F)F)NN 402745092 SOWCWDMQGNZDRL-QWHCGFSZSA-N 282.394 4.548 30 10 CJEE C=CCCCO[C@H]1CCCCCCCCCC[C@H]1NC 403486104 ZSDHGRAYGDPPRB-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCC(C)(C)[C@H]1NCCC 403834509 FUUYFOSRMYLMJJ-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@H](N)CO[C@H]1C 405887684 WRNGZBBPLRYTDX-YESZJQIVSA-N 269.473 4.660 30 10 CJEE C=CCCCNC(=O)N(CCC)[C@H](CC)c1ccccc1 448032948 XSNPKFYPWFHRLI-QGZVFWFLSA-N 288.435 4.526 30 10 CJEE C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc2ncsc2c1 485704414 KKZWDZMYOTUZQZ-RWMBFGLXSA-N 274.433 4.548 30 10 CJEE CCC[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512666982 NDVFXOQILRYHGJ-KUHUBIRLSA-N 296.389 4.889 30 10 CJEE CCCCCCCCCCNCC[C@@H]1CC1(F)F 691618141 FJEDYMUMFXHLCP-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCC(CC)[C@@H]1CN/C(=N/CCCC2CCCCC2)S1 694077245 XPFBCSDCJQNGDB-INIZCTEOSA-N 296.524 4.844 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1cccc(C2CC2)c1 702474736 FKQCLOGYGDAJOG-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(OC(C)C)cc1 703996202 QLPZXQHQYWJZMO-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE CCCCCCCCCO[C@H]1CCC[C@H](NCC)C1 712809202 ZVDYHOVTNZPNTO-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCNC[C@@H](C)[C@@H]1CCCO1 720559414 ZMDIUMVGWVVFDI-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C1CCC(CNc2cc(Cl)ccc2F)CC1 724550339 PRJGQWCGCOWTQA-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H](CCC)OCC)CC1 724571968 ZVFPNRBDOGPIFW-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CCc1cc(C(F)(F)F)cc2cc(CC#N)sc12 725303390 HWYWGNTZBHLNCC-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE C=CCCC(CC)=NNc1ccc(OC(F)(F)F)cc1 750933016 VQHLRTLZCCNOGC-UHFFFAOYSA-N 286.297 4.729 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(CC)cc1 821217968 JZRHGQWXZYXOAP-VHEBQXMUSA-N 267.372 4.580 30 10 CJEE 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CCCCCCCCCCOC1(CCN)CCCC1 2119733196 JGRICWNJQXXFDW-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc(CC)n1 2121944136 IAOYQOKYGCDXLW-INIZCTEOSA-N 262.441 4.785 30 10 CJEE C=CCCCC[C@H](NCC)c1cc(F)c(F)c(F)c1 2123079703 GSQSFCDKPHMBKE-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE C=CCCCC[C@@]1(N)CCC(C)(C)c2ccccc21 2123089443 SIYHSKJPEHZTQS-GOSISDBHSA-N 257.421 4.658 30 10 CJEE CC1(C)CC=C(C(=O)c2cc(Cl)cc(F)c2F)CC1 2125188937 SGNJHWDBBZGGOJ-UHFFFAOYSA-N 284.733 4.937 30 10 CJEE C=C1CC(C[C@H](NCC)[C@H]2CCCC(C)(C)CC2)C1 2125729988 YNCDAONVAKFZDE-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=C1CC(C[C@]2(CNCC(C)C)CCCC[C@H]2C)C1 2125743364 DSGSHOSTSKGSAS-AEFFLSMTSA-N 263.469 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]1OC 2130371164 PXQZAGSQOPCJGX-ULQDDVLXSA-N 270.457 4.693 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@]1(C)CCCC(F)(F)C1 2132144336 JDQRDDHJWQBSKH-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CC1(CN[C@H](C)[C@]23CCCC[C@@H]2C3)CCCCC1 2132979651 RLWIPNFBGODHMJ-JFIYKMOQSA-N 261.453 4.681 30 10 CJEE C=C[C@H](C)C[C@@H](CC1(C(F)(F)F)CCC1)NCCC 2134713506 VHDYNIYGCNEFMS-STQMWFEESA-N 277.374 4.690 30 10 CJEE CCCCCCCC(=O)[C@@H](C)P(=O)(OCC)OCC 2134895061 URKGHGLKDGRCNO-CYBMUJFWSA-N 292.356 4.571 30 10 CJEE CN(CCCCCS)C[C@H]1C[C@H]1C1CCCCCC1 2135490677 YXYFFIKTOJSFKN-SJORKVTESA-N 283.525 4.625 30 10 CJEE CC1CCC(C=O)(C[C@@H]2C[C@H]2C2CCCCC2)CC1 2135640900 RARUJNKREUCLJD-YCHGYYGWSA-N 262.437 4.988 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(OC)ccc1F 2138171600 LOYJCERZCFUUKL-MRXNPFEDSA-N 268.372 4.618 30 10 CJEE CCCCCCCC[C@H](N)c1cc(OC)ccc1F 2138182530 CCLRVVUWPQKTJC-INIZCTEOSA-N 267.388 4.585 30 10 CJEE CCCCCC#CC[C@@]1(O)CCC2(CCCCC2)C1 2138946647 GAFMEZYPCQNJJH-GOSISDBHSA-N 262.437 4.826 30 10 CJEE CCCCCC#CC[C@]1(O)CCC2(CCCCC2)C1 2138946648 GAFMEZYPCQNJJH-SFHVURJKSA-N 262.437 4.826 30 10 CJEE C#C[C@@H](N[C@@H](C)C1(C)CCCCC1)C1CCCCC1 2138979624 ULMOFRYWGCFXRL-DOTOQJQBSA-N 261.453 4.517 30 10 CJEE CCCC#CC[C@@]1(CNC(C)C)CCCCC12CC2 2138993954 MUOISPRPOXMBHM-SFHVURJKSA-N 261.453 4.519 30 10 CJEE 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CJEE CCCCCCCCCC[C@@H](NC)[C@](C)(O)CC1CC1 2148597024 VNILQKBHSQLXSY-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(O)CCC[C@@H]1C 2148623909 FEJXSCMBGFZMHT-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CCCCCC1CC1)NC 2148726861 KLFAXPQRIYJKIE-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)CC=CCO1 2151713037 MGCPXGONWKJONU-SFHVURJKSA-N 281.484 4.840 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc2c(c1)CCCC2 2152834253 ZAJQTCOZHIKBOE-KXBFYZLASA-N 270.416 4.503 30 10 CJEE CCCCCCCC[C@@]1(O)CN(C)C2(CCCCC2)C1 2156878724 LGMVAVUGXIMYPI-SFHVURJKSA-N 281.484 4.507 30 10 CJEE CC1(C)CCC[C@](C#N)(c2nccc3occc23)CC1 2157090675 JSGMOLMWGDRWNE-KRWDZBQOSA-N 268.360 4.579 30 10 CJEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)c(C)s1 2157121027 RMNXFOOSMGKREX-WBVHZDCISA-N 291.460 4.899 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)CC3=CCCCC3)C[C@@H](C1)C2 2161401346 DYGKPEMEEVXQPV-UBLGTCEWSA-N 273.464 4.990 30 10 CJEE CCCCCCCCCO[C@@H]1CC(C)(C)CC[C@H]1NC 2162008581 BTNJZQNHGCTJTQ-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=CCOc1ccccc1[C@@H](O)[C@H]1CCCC(C)(C)C1 2163774354 OWAJHIRPEIEUEH-YOEHRIQHSA-N 274.404 4.501 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cnc(C)nc1 2164008966 NJNMWUCLHNNICY-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE C=CC1(COc2ccc([C@@H](C)NCC)cc2Cl)CCC1 2168024454 UUBRBICKHFCQTA-CYBMUJFWSA-N 293.838 4.746 30 10 CJEE CCCCCCCC(=O)[C@](C)(O)[C@@H]1CCCC(C)(C)C1 2168592339 PBSXGHATJHGNKB-CRAIPNDOSA-N 282.468 4.883 30 10 CJEE C=C(CC1(CNCC(C)C)CCC(CCC)CC1)OC 2171010949 QROLJGUIFKDVBF-UHFFFAOYSA-N 281.484 4.759 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc2ccccc2c1F 2173290062 IZMDROOUQWMJQN-SUMWQHHRSA-N 271.379 4.842 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H](CC)c1ccccc1 2173465481 DXZADIQHDKCUNZ-RBUKOAKNSA-N 271.448 4.742 30 10 CJEE C#CCCCC[C@@]1(CNC2CC2)CCCC(C)(C)CC1 2173492086 ZOBWSTSAWJBPJI-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CC1(C)CCCCC[C@@]1(O)[C@@]1(C#N)CCCCC1(C)C 2173641588 FWPDAXJZXCITPB-MSOLQXFVSA-N 277.452 4.818 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H]1CCCCC12CCC2 2173676451 ODMYZZCPDDYZKI-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(O)CCCC(C)=C1C 2175782712 YMORTNLPZOJXQO-ROUUACIJSA-N 281.484 4.576 30 10 CJEE c1ccc(Oc2ccc(CCCC[C@@H]3CO3)cc2)cc1 2179679676 QUWYOYVRCFSWIK-GOSISDBHSA-N 268.356 4.591 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCC1(C)CC1)NCC 2179718453 CTJSUUANEDLZJW-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](N)C1(O)CC(CCCC)C1 2180064719 LOVFXBOTXOKBNS-LXPRWKDFSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@@H](N)C1C[C@@H]2CC[C@H](C1)O2 2181367145 HCFQSIFBWSAOKK-HQSKLWIPSA-N 281.484 4.802 30 10 CJEE C=C([C@H](NCCC)c1ccc(C2CC2)nc1)C(C)(C)C 2181754823 KWLUWIVZWXDLBK-KRWDZBQOSA-N 272.436 4.602 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H]2C[C@@H]3CCC[C@@H]3C2)CCC1 2183397126 MGEXIUIASQGBAV-MHORFTMASA-N 275.480 4.927 30 10 CJEE C[C@@]1(CC2(C=O)CCC(F)(F)CC2)CCCCC1(F)F 2184887534 URBLXWFATKDATO-LBPRGKRZSA-N 294.332 4.987 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1cc(F)ccc1F 2185675302 XDHPRFHINOFTNV-CQSZACIVSA-N 279.330 4.502 30 10 CJEE CC[C@@H](CCC(C)C)n1c(S)nc2ccc(C#N)cc21 2186019792 UKJCODQQUCJZNU-ZDUSSCGKSA-N 287.432 4.584 30 10 CJEE C=C(C)CN(c1cc(Cl)ccc1[C@@H](C)NCC)C(C)C 2186470447 FWADZHRHGLDFND-CQSZACIVSA-N 294.870 4.801 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)c1ccc(C)c(C)c1 2187468777 RRJCODDCUUJVLU-SFHVURJKSA-N 287.523 4.615 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1c(C)ncn1C 2188541177 RNVGZRODBQQNMW-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE C=CC1(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 2189508539 HHSNHMMIZYHDOT-KGLIPLIRSA-N 289.385 4.691 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC3(CCCC3)O2)CC1 2189610419 YZJXUYSGRLOXBE-CGZBRXJRSA-N 278.436 4.654 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2(C)CCC2)C1 2194165925 AMLCUJALYVJWTK-ARFHVFGLSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]12CCOC[C@@H]1C2 2194440862 PXAOUSCWROWOIA-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE SCC1(CN2CC[C@]34CCCC[C@@]3(C2)C4)CCCCC1 2195152775 CJTUFMJOBOFCHD-ROUUACIJSA-N 293.520 4.523 30 10 CJEE 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PTZZPXHZCNVHIA-OAHLLOKOSA-N 293.476 4.771 30 10 CJEE C#C[C@H](NC1CC2(CCC(C)(C)CC2)C1)C1CCCC1 2204047486 NWQFYACGNDSBTE-KRWDZBQOSA-N 273.464 4.517 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)C1(C)CCCCCC1 2206897734 CWUFXCZHJQPWNI-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC(=O)[C@](O)(CCC)C(F)F 2207376294 IXELCVPDRLRKIV-MRXNPFEDSA-N 290.394 4.659 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(O)CCC=C1CC 2207377319 MWRQSBVHHREPHM-GOSISDBHSA-N 278.436 4.724 30 10 CJEE C=CCCCCCCCCN1CCC(CCC#N)CC1 2207377499 IWKHDPJDYKRYQJ-UHFFFAOYSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@](C)(O)CCCC 2207392392 QBSKIISMNZFCRT-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2207397128 QEOUYYJKYDGUDA-RSQDCSKSSA-N 275.480 4.913 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2207403284 HLUYFNKMOPEILZ-RSQDCSKSSA-N 276.464 4.946 30 10 CJEE C=CCCCCCCCC[C@]1(O)COC2(CCCC2)C1 2207404842 PQCPATKCBOCZLA-QGZVFWFLSA-N 280.452 4.757 30 10 CJEE C=CCCCCCCCCC[C@@H](NCCC)C1COC1 2207436519 KVSYJKXFYZIYAQ-GOSISDBHSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)[C@@H](C)CCC(C)C 2207457810 QUVOHNMUDPPNPN-OKZBNKHCSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](CN)N(C)C1CC(C)(CC)C1 2207468094 HUHZOCCNVDVDGW-WWDZGPRUSA-N 282.516 4.575 30 10 CJEE CC(C)N[C@](C#N)(CSC1CCCC1)C1CCCCC1 2208114086 GUKVFEXQSGIMFN-QGZVFWFLSA-N 294.508 4.503 30 10 CJEE CCCCCCCCCCN(C)CC1(Cl)CC1 2216094777 GTOFZKCIPLRADQ-UHFFFAOYSA-N 259.865 4.830 30 10 CJEE C=CCCCCCCCCNC[C@H](SC)C1CC1 2217855570 ALHWDXXFYKDJGG-INIZCTEOSA-N 269.498 4.634 30 10 CJEE Cc1csc(C(=O)C2=CC[C@H](C(C)C)CC2)c1C 2218821499 RZJJFCCZSHVRDW-ZDUSSCGKSA-N 262.418 4.930 30 10 CJEE C=CCCCCCCCN1CC[C@@H](SC(C)C)C1 2220090001 AZAQKOVRZWXJGV-MRXNPFEDSA-N 269.498 4.729 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@H]2C[C@@H]1C2 2222286277 YGSFGCIVTZZVRT-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCOc1nc(Cl)c([C@H](C)O)s1 2223205185 OPZMFFQYLSQMFJ-JTQLQIEISA-N 291.844 4.589 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CC1(F)F)NCC 2227270367 DSTJYKGBEIQGIH-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](CCOC(C)C)NCC 2227271660 LUOBSGQXZQICMY-QGZVFWFLSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(F)ccc1F 2227272697 OFUWEHNTUPWTPP-INIZCTEOSA-N 268.347 4.915 30 10 CJEE CC#CCCCCN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2229846633 RGQQMYGQFDRBLP-SJORKVTESA-N 263.469 4.717 30 10 CJEE CCCCCCCN=c1[nH]c(Cl)cc2ccccc12 2231239534 AZWGGDGEQHDOEP-UHFFFAOYSA-N 276.811 4.692 30 10 CJEE C=CC[C@H](CCSc1ccccc1)CN[C@H](C)CC 2231483392 LBENQQACDCIBCO-HZPDHXFCSA-N 277.477 4.749 30 10 CJEE C=CCCCCc1cc(C)cc(CNC(C)C)c1F 2231741322 GWAGNAMWYTYYQQ-UHFFFAOYSA-N 263.400 4.531 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2231784083 RYSGLEYSEQZZDB-WDEREUQCSA-N 286.284 4.750 30 10 CJEE CCCCCCCC[C@@](C)(O[C@@H](C)C(C)C)C(=O)O 2231901831 STHBXGJQGJKQHX-GOEBONIOSA-N 272.429 4.641 30 10 CJEE CCCCCCCC[C@@](C)(N)c1csc(COC)c1 2231902060 JWYVHONZXCHORD-MRXNPFEDSA-N 283.481 4.819 30 10 CJEE C=C([C@H](NCC)c1ccc2occc2c1)[Si](C)(C)C 2232383098 BTWLUMVTUCJKGG-INIZCTEOSA-N 273.452 4.517 30 10 CJEE C=C(CN1CCC[C@H](CC=C(C)C)C1)c1ccccc1 2233269158 SRNKIGREOXANMF-GOSISDBHSA-N 269.432 4.768 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(F)c(OC)c1 2235524480 QLRCWGPGLMABRW-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cc2ccccc2cn1 2236006145 BJDHFJAQLLOVMC-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H]2CC[C@H]1O2 2236345928 ZITZUVHOLHZYQZ-KURKYZTESA-N 282.468 4.980 30 10 CJEE CN[C@@H](CC#Cc1ccc(Cl)cc1)CC1CCCCC1 2239489247 GXWYHPWCMLGYEL-SFHVURJKSA-N 289.850 4.640 30 10 CJEE C=C[C@H](CCCCC)Oc1nnc(Cl)c2c1CCCC2 2239500676 FCFHXMAPSJFBDD-GFCCVEGCSA-N 294.826 4.523 30 10 CJEE C=C[C@H](CC)O[C@H]1CCCCCCCCCC[C@@H]1NC 2239502314 SUGCBHBNBDCXMU-SQNIBIBYSA-N 281.484 4.839 30 10 CJEE CN[C@H](C#Cc1cccc(Cl)c1)[C@@H](CC(C)C)C(C)C 2239562199 MFCPTBPYIBYDJT-ZWKOTPCHSA-N 291.866 4.598 30 10 CJEE C=CC1(CN(C)Cc2ccc(C3CCC3)cc2)CCC1 2240284768 QMTWWYPSWVJAIX-UHFFFAOYSA-N 269.432 4.742 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)c1cc(C)cs1 2240648132 IXYSQCZTARBAOW-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@H](OC)C(F)(F)F 2240665655 FSNUSZUTKRAMIA-IHRRRGAJSA-N 297.405 4.681 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc2ccoc12 2241143728 WENKSTOXTLKKCQ-MRXNPFEDSA-N 274.408 4.688 30 10 CJEE CCC[C@@H](CS)CSCC1CC2(CCC2)C1 2243627688 VNLDMTOBIRCUKW-LBPRGKRZSA-N 258.496 4.646 30 10 CJEE C=CCCCCCC[C@@H](O)c1cocc1Br 2244211726 XTEPZTYGUSLGQX-CYBMUJFWSA-N 287.197 4.602 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C=O)CCCS1 2250474791 IWKAOAXARFXGOD-GJZGRUSLSA-N 256.455 4.694 30 10 CJEE CC(C)(C)[C@H](CS)COCC[C@@H]1CCCC12CC2 2255275028 FKZCBDOTLWVNHN-KBPBESRZSA-N 270.482 4.566 30 10 CJEE CO[C@H](CC(C)(C)C)CC1(C#N)CCC(C)CC1 2259126975 DLFJSOUPKZBVEH-NPCAHTBFSA-N 251.414 4.548 30 10 CJEE C=C(C)CCCCC(=O)c1cnc2ccsc2c1 2259162508 YDXUBDIPOVLJNZ-UHFFFAOYSA-N 259.374 4.616 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@]1(C)CC1(C)C 2259231701 OAANGJBGFDINFS-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](NCCC)C1CC(CC(C)(C)C)C1 2261197853 SEWOIUKDCHXPBM-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2264912259 IBLZCIQXNHWFAN-AAVRWANBSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CC(C)(C)CCO1 2265546718 PIXFODMGSKELSE-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cc(C)c(C#N)c(C)c1 2265881747 GZHRTHYSYGOUEX-WMLDXEAASA-N 256.393 4.556 30 10 CJEE CCCCCCCCN(C)C[C@@H]1CCC[C@@H]1C(F)F 2270177771 ILHGZSZOCUHISH-GJZGRUSLSA-N 275.427 4.960 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)[C@@H](C#N)[C@H]1CC1(C)C 2270976819 UKPBXRZOLDYAQY-WDEREUQCSA-N 296.197 4.670 30 10 CJEE C=C(C)CCCCN(C)[C@@H](CCC)c1ccccn1 2271754784 KAAYTDNVEBKHAJ-KRWDZBQOSA-N 260.425 4.601 30 10 CJEE CCCCCC[C@H](C#CC1CCCCC1)NCCC 2274057934 CXLXPYVMTAQSFH-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCCCC[C@@H](CC#CC1CCCC1)NCC 2274119417 CXBLGRXQRLBUMX-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](C)C(C)(C)C 2274123170 UJDYKBNUTZHCHD-WBVHZDCISA-N 263.469 4.621 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(CC)CCC1 2274135969 HRRWZMNVEGBBOF-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1sccc1C 2276153699 LQVTVWYFDPJHFJ-HNNXBMFYSA-N 281.465 4.600 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCCCCCC)OCCN 2277146164 UESZISREINJVFN-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C#CCCCCC[C@@H](N)c1sc(C(F)(F)F)cc1C 2277661827 YVFWEEPYCMJRNG-LLVKDONJSA-N 289.366 4.659 30 10 CJEE C=CC1(C[C@H](N)c2sc(C(F)(F)F)cc2C)CCC1 2277880483 BYSUKIBZPXYWJN-JTQLQIEISA-N 289.366 4.822 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(OCF)cc1 2278493506 PBIBSPDFHFLNND-INIZCTEOSA-N 268.372 4.560 30 10 CJEE CO[C@H](CS[C@@H](CC#N)c1ccccc1)C1CCCC1 2283994023 PIXVKYBONXGNSI-SJORKVTESA-N 289.444 4.580 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1C[C@H]1C1CCCCCC1 2284101378 RHLVBTAZKPCJQC-ZWKOTPCHSA-N 273.464 4.541 30 10 CJEE CCCC1CC([C@@H](CC=CC#CC(C)(C)C)NCC)C1 2284176253 MZPNGOMMRJVOHH-DAWZGUTISA-N 275.480 4.787 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(O)CCC=CCC1 2285701466 FMEIYQKTVJALAT-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE CC(C)(C#N)CCOc1cccc(-c2ccccc2)c1 2286796426 YPCORLHITZRAFU-UHFFFAOYSA-N 265.356 4.672 30 10 CJEE C=CCCCSC[C@H](NCC)c1c(C)cc(C)cc1C 2287078390 OQECYDLFBYARMV-KRWDZBQOSA-N 291.504 4.962 30 10 CJEE C=C(C)CCCC[C@@]1(CNC)CCCc2ccccc21 2287370300 PZGWSWNSJOFFME-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CCCCCCCCCC(=O)c1cc(CCC)cnn1 2288601643 WISRBVSAFBCGOT-UHFFFAOYSA-N 276.424 4.753 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@]1(C)C=CCCC1 2289783765 CHQZQPVBBUNEDG-MOPGFXCFSA-N 273.464 4.685 30 10 CJEE CCCN[C@@H]1C[C@@H](CC#CC2CCCC2)CC(C)(C)C1 2289874159 KIGURSJGJLQXAN-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@@H]1C)OCC(=O)O 2290762889 ZFGRJOHPCJQVMX-HRCADAONSA-N 284.440 4.643 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CCC=C(C)C)OCCC(=O)O 2291003354 HOHOAIOTZMVPFA-NVXWUHKLSA-N 282.424 4.585 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]1CCC)OCCN 2292869189 XRGNGPYAESSERP-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C([C@@H](OCCCN)c1ccc(C)c(Cl)c1)C(C)(C)C 2293348407 MWTHAUOTNQIOMD-MRXNPFEDSA-N 295.854 4.657 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H](C)C1CCC1 2293462554 DXTHIPHIETUVSN-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCS[C@@H]1C 2293873930 REVSONPEPYROSF-SJORKVTESA-N 299.524 4.533 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)C1CCC1)OCCN 2294066245 PUJKNWHKDYREOB-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE COc1ccc(C=C2CCCC(=Cc3ccco3)C2=O)cc1 2295987689 RLCAXHXQSJKNAL-UHFFFAOYSA-N 294.350 4.508 30 10 CJEE C=CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1 2298947741 JKSGWIXOAMEALO-MNOVXSKESA-N 268.809 4.609 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc(C)ccc1Br 2301059616 FVGKWKNRVUBHKG-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=CCC[C@@H](C)CCc1ccc(OC)cc1Br 2301389917 PNEWNPXJLKXRNW-GFCCVEGCSA-N 297.236 4.993 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1scc(C)c1C 2304046127 MWTZQARCEWFHCM-GJZGRUSLSA-N 251.439 4.618 30 10 CJEE C=C(C)C[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2307521655 DDDKOWUMUAVMHF-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CCC[C@@H]2C[C@H]12 2308610289 OTTXDUHWZBHCTB-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCN[C@H]1CC[C@]2(C(C)C)C[C@H]12 2310123526 DZOMHWOOTDUMIH-IXDOHACOSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1Cl 2315463202 OKEWLXJKVZXXEJ-WOSRLPQWSA-N 263.812 4.735 30 10 CJEE C=CCC(CC=C)[C@](N)(CC)c1ccc(Cl)cc1 2316733845 KPDJGINPNROXDK-MRXNPFEDSA-N 263.812 4.672 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(OC)c(Cl)s1 2318008120 MCDAHXZJXXNIDD-LLVKDONJSA-N 287.856 4.807 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc2ccsc12 2321138903 VKYNMEYSSMEKER-HZPDHXFCSA-N 259.418 4.894 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1csc2ccccc12 2321147341 GQMUQLCMWHSYGO-HZPDHXFCSA-N 259.418 4.894 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc2ccccc2s1 2321217323 OYXGPHCKCPQPLD-CVEARBPZSA-N 260.402 4.927 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@@H](C(F)(F)F)C1 2327345745 ASFVFAVSWSLERL-RWMBFGLXSA-N 265.363 4.666 30 10 CJEE CCC(=NOCc1ccc(C)cc1)c1ccc(F)c(F)c1 2330281963 JSLPIVHRECMKGY-UHFFFAOYSA-N 289.325 4.604 30 10 CJEE N#Cc1ccc(NC(CC2CC2)CC2CC2)cc1Cl 2335143689 WDPCZAPBVSIQTN-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@@H](SC)C2)CC1 2335884387 RAHJTSIOARCECX-BBWFWOEESA-N 281.509 4.633 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@](C)(CC)C(F)F)CC1 2336595474 GXOWPQYSXTXBHI-ZBFHGGJFSA-N 273.411 4.782 30 10 CJEE N#C[C@@H](CNc1cc(C2CC2)ccc1Cl)C1CCC1 2338159891 RZGQENSPJNYFLU-AWEZNQCLSA-N 274.795 4.569 30 10 CJEE CC[C@](C#N)(Cc1c(F)cc(OC)cc1Cl)C(C)C 2339190082 XCUMADVXJNIBKM-OAHLLOKOSA-N 283.774 4.606 30 10 CJEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(C)c(Cl)s1 2339566068 JEDMPOBICZKRDA-OLZOCXBDSA-N 295.879 4.800 30 10 CJEE CCCCCCCC[C@H](N)c1ncccc1C(C)C 2340236294 XNFDYYIJKWRPQM-INIZCTEOSA-N 262.441 4.955 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#C[C@@H]1CC1(F)F 2340996976 IAUBZAPHUZNIRY-HUUCEWRRSA-N 272.379 4.537 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2344026895 GKAUAKJUKUUYIT-BTFPBAQTSA-N 267.363 4.778 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1CC(C2CCC2)C1 2344344025 RBTHESIZXNTXPW-OPQOLIRYSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccccc1CCC 2344395967 LJUADLVCHRXGFG-ROUUACIJSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(C2(C)CC2)cc1 2344397333 RSZTVQOVUFUERJ-DLBZAZTESA-N 257.421 4.730 30 10 CJEE CC1(C)CC[C@H](CCOc2cc(Cl)cc(C#N)c2)C1 2344881331 KXVXYMPMVUIKBG-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CCC[C@@H]1CCCN(C[C@@](C)(CS)C(C)(C)C)CC1 2352067471 FNILIRHXMIJLGH-WBVHZDCISA-N 285.541 4.871 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1OC 2356739774 BAQISLFMKFPNCI-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358462541 ZQMKRLRSQMXZCN-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)OCc1ccsc1CN[C@@H](C)CC 2360219422 ILSVCTWEKGXQSA-AWEZNQCLSA-N 293.476 4.674 30 10 CJEE C=CCC(CC=C)N[C@@H](CC(F)(F)F)c1ccccc1 2360342890 JHYBTWVVTVTOTC-HNNXBMFYSA-N 283.337 4.791 30 10 CJEE C=CCN(c1ccc(C)c(Cl)c1CNCC)C(C)(C)C 2360549654 RHJOLOGGQLBMEP-UHFFFAOYSA-N 294.870 4.549 30 10 CJEE Cc1ccn2c([C@H](C)C#N)c(-c3ccc(C)c(C)c3)nc2c1 31915870 KGWFUOCFJOIAMA-OAHLLOKOSA-N 289.382 4.554 30 10 CJEE Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1ccco1 33372056 WGEPQSRTLAXIRV-KTKRTIGZSA-N 295.363 4.608 30 10 CJEE CC1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 36805580 JCEVFORIWBGQDO-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@H](C)CC(C)(C)C1 37089260 AWMQRSSHFVMGJT-FZMZJTMJSA-N 274.383 4.633 30 10 CJEE C=CCCC[C@H](O)c1ccc(OCc2ccccc2)cc1 38295386 QPINZKXXZIMVGZ-IBGZPJMESA-N 282.383 4.655 30 10 CJEE CCCCN(CCCC)C(=O)C(C#N)(CCC)CCC 44814325 XXAICISKRSWFCF-UHFFFAOYSA-N 280.456 4.525 30 10 CJEE Cc1ccc(C)c([C@@H](C)Nc2cc(C#N)ccc2C)c1 50428946 OOHDTRGOADRTKI-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1ccc(F)cc1 52859915 WYCPZJGKLAQLLR-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE Cc1cc([C@H](C)N[C@@H](CC#N)c2ccccc2)c(C)s1 55018138 RHJQHRHWPOGAPQ-GUYCJALGSA-N 284.428 4.671 30 10 CJEE N#CC[C@@H](Sc1cc(F)ccc1F)c1ccccc1 55022708 VQDGCGQIGQQHSA-CQSZACIVSA-N 275.323 4.712 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(F)cc1F 59277477 LLUYDPAJQQFDSY-OAHLLOKOSA-N 255.352 4.586 30 10 CJEE N#Cc1oc(-c2ccccc2)c2cc(Cl)ccc12 60096874 YCUPAIPSUNNQNY-UHFFFAOYSA-N 253.688 4.625 30 10 CJEE C=CCC[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 71277198 WAGMMOIBPHBYLO-AWDGRILASA-N 261.453 4.537 30 10 CJEE COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83205010 ULAVKSMJNJCJJD-VQHVLOKHSA-N 286.758 4.553 30 10 CJEE CC(C)C(=O)[C@H](C#N)c1ccc(C2CCCCC2)cc1 84657191 GICNTSWVJSWCPI-QGZVFWFLSA-N 269.388 4.567 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897423 VXCZPSISEJZCRM-CYBMUJFWSA-N 276.811 4.982 30 10 CJEE CCCCCCC[C@H](Cc1nc(C)cs1)NCCC 103711450 WTBDZPPRRSGDQX-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE CCCCCCCOc1ccccc1-c1csc(N)n1 104001151 BMQAZKABLNISLT-UHFFFAOYSA-N 290.432 4.742 30 10 CJEE CCCCCCCCOc1ccc(N)c(Cl)c1 104151646 SMXSVEJJQMLVRJ-UHFFFAOYSA-N 255.789 4.662 30 10 CJEE CCCCCCCC(=O)c1ccc2ccccc2n1 104151650 QDWQEAMCXBPMLR-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE C#CC[C@H](C)c1cc(C(C)(C)C)ccc1OCCC 107601959 WVNQSMKYNDLXGI-AWEZNQCLSA-N 258.405 4.900 30 10 CJEE CC[C@H]1O[C@@H]1CCc1ccc(OCc2ccccc2)cc1C 107616918 MLERNADKQYVAAY-WOJBJXKFSA-N 296.410 4.684 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(Cl)c(C)cc1OC 107620103 RRVHIYSUYDAXRY-AAEUAGOBSA-N 264.796 4.810 30 10 CJEE C=C[C@H](C)Cc1cc(Cl)c(OCC)cc1OCC 107676177 XZFZGGJNNITSAD-NSHDSACASA-N 268.784 4.502 30 10 CJEE CCCCCCCO[C@H](c1sccc1C)[C@H](N)CC 109987344 DNEDHZBBCTYOEB-CABCVRRESA-N 283.481 4.822 30 10 CJEE CCCCCCCCO[C@H](c1cccc(F)c1)[C@@H](C)N 109988763 ZDWMUCTVEFSZAH-PBHICJAKSA-N 281.415 4.591 30 10 CJEE CCC[C@H](C)COc1c(/C(C)=N/O)ccc2ccccc12 110323361 FXGLDDNFYYVSHD-AZDDOORDSA-N 285.387 4.853 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NCC1(CC)CC 114064881 IYUMVTDLDSBCGB-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCC[C@@H](CSCC(C)C)NCC 114865083 IXNHJVUYTVGXFS-HNNXBMFYSA-N 259.503 4.714 30 10 CJEE CCCCCCC[C@]1(N)CCC[C@H](C(F)(F)F)C1 115086080 QBCBPUFPNRCDRL-STQMWFEESA-N 265.363 4.797 30 10 CJEE CCCCCCCCCC(=O)N(CC)c1cccc(N)c1 115854716 SQWTXLINIKDGFP-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)c(F)cc1F 122415684 HYNWXLZXKZKVAO-INIZCTEOSA-N 284.394 4.528 30 10 CJEE CCCCCCCCCCNCc1cc(F)c(O)c(F)c1 129251102 HXJHHIZLYCSMJR-UHFFFAOYSA-N 299.405 4.901 30 10 CJEE CCCCCCCCCCC[C@@H](Cc1ccccc1)NN 131242555 MFYJUWWGZVTYHA-IBGZPJMESA-N 290.495 4.982 30 10 CJEE N#Cc1cc(F)c(Sc2ccccc2Cl)c(F)c1 134026741 RVMDIROGEPKFTG-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE C#CCCC[C@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 134140464 SNSBCVQSEVLZAX-RWSSSABPSA-N 287.491 4.765 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1nccc(C)c1C#N 135090679 DOWVJHYRAUGSHJ-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CCC[C@H]1N 136306945 ACQYRFLJIOISCQ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc(N(C)C)c1 139665774 USIZWDHAAVFSAJ-GOSISDBHSA-N 276.468 4.764 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@H](C)c1ncc[nH]1 140774225 ZNWVMCQMLBJPQE-HNNXBMFYSA-N 293.455 4.508 30 10 CJEE CC(C)Oc1ccc(NCCCC(C)(C)C#N)cc1Cl 153062266 FDQYITVHKQZROM-UHFFFAOYSA-N 294.826 4.869 30 10 CJEE CCCCCCCCCN1CCC[C@@H]([C@@H](C)CC(=O)O)C1 155851040 PMPICPIDRGPYPY-DLBZAZTESA-N 297.483 4.560 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](OC)C(C)(C)C 158248429 MFTMJGIQHXPEMB-CVEARBPZSA-N 271.489 4.776 30 10 CJEE CCCCCCCCNCc1ccc(Cl)cc1[N+](=O)[O-] 159297283 XEURZKRMEDXQSB-UHFFFAOYSA-N 298.814 4.698 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 164145959 AYIOAJUERQEJIQ-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)ccc2F)CC1 165713114 BQLFNRHPPCAAKG-CQSZACIVSA-N 295.785 4.623 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](OCC)C1CCCCC1 167601942 KSSKILRNBDOJSO-ROUUACIJSA-N 283.500 4.920 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(C)cc1Br 167702672 IGCMNTIZAONUCU-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCC1(CC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1 196907784 OIUZSIWMJSGCIS-UHFFFAOYSA-N 264.218 4.535 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1ccc(Cl)c(Cl)c1 213031350 IVOPNUHZCAHBOH-OAHLLOKOSA-N 297.229 4.823 30 10 CJEE CC(C)c1ccccc1Nc1cc(F)cc(C#N)c1 227604712 VJCAKLZGDVKTLL-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCCCCC[C@H]1C[C@@H](NCC)c2cc(F)ccc2O1 229155818 MDADIOIRAMFWJU-DOTOQJQBSA-N 293.426 4.988 30 10 CJEE C=CCSCCN[C@H](C)c1ccc(CCCC)cc1 231930963 WRHZNOTXXDMKIY-OAHLLOKOSA-N 277.477 4.599 30 10 CJEE C=CCSc1ccccc1NC1CC(C(C)C)C1 232541736 GKNKCMZOMIRLRH-UHFFFAOYSA-N 261.434 4.811 30 10 CJEE CCC(=CC(=O)c1cc(Br)ccc1F)CC 232877711 QEOBBJPNHHPECH-UHFFFAOYSA-N 285.156 4.517 30 10 CJEE CCCCCCCCCCCC(=O)NCCCCCCO 232923518 ZBCWQMPCPYTQDQ-UHFFFAOYSA-N 299.499 4.576 30 10 CJEE CCCCCCCCCC[C@H]1COCC[C@@H]1NCC 232924976 FATKFPVPJMEMSH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@@H](C)CC1 232975360 VYVZMKBVNRCKKM-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1C[C@H]1c1ccccc1 253051552 VIZDRJFYMMFGPM-KSZLIROESA-N 257.421 4.515 30 10 CJEE COc1c(F)cc([C@@H](C)F)cc1C1(C#N)CCCCC1 260614365 RPLDRCDIQHNXMV-LLVKDONJSA-N 279.330 4.590 30 10 CJEE CCCC1CCC(C#N)(CC(F)(F)C(F)F)CC1 310827508 FPBBMIAIDXYRSP-UHFFFAOYSA-N 265.294 4.777 30 10 CJEE CCCCCCCCCCNC1[C@@H]2CCCC[C@@H]12 311047375 GBFLXXMAHIIZIH-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc2ccccc2n1 312267425 HYVAWKRMHOSDSX-ZBFHGGJFSA-N 282.412 4.799 30 10 CJEE CCNC[C@@]1(CC#CC(C)(C)C)CCC[C@H](CC)C1 317266884 NFHDSHIUJRZRRG-FUHWJXTLSA-N 263.469 4.622 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCCC[C@@H]1C 319625722 FVEUWQIMHHAYEA-HKUYNNGSSA-N 277.496 4.868 30 10 CJEE CC(=O)/C(C)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 379833657 BRBUIVVRKBYJDA-CLTKARDFSA-N 296.210 4.717 30 10 CJEE C=C1CCN(c2ccc([C@H](C)NCCC)c(Cl)c2)CC1 382583093 OYJDNZYKFLSMDJ-AWEZNQCLSA-N 292.854 4.557 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)C(C(C)C)C(C)C)CC1 383634995 ZSUFREDQXBHOKW-NXYGQSRBSA-N 279.468 4.776 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ccc(Cl)cc2[N+](=O)[O-])C1 383812423 PYJONPJUWOUGNT-XHDPSFHLSA-N 292.766 4.610 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1sccc1Cl 384033849 TWJNFSZBQLDYLW-AWEZNQCLSA-N 271.857 4.524 30 10 CJEE C=C([C@@H](NCCC)c1cccc(C)c1Cl)C(F)(F)F 394045512 RMIRNABFMLTTQL-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE C=CCOc1ccc(CN[C@H](C)[C@@H]2CC3CCC2CC3)cc1 394519407 SWJZMRHHMIKZGH-LJQPEZLNSA-N 299.458 4.556 30 10 CJEE CCCCCCCCCN[C@H]1CCCCC1(F)F 398220825 CFHKSCURUUMMLU-AWEZNQCLSA-N 261.400 4.905 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](O)CC[C@@H]1C 399396430 FMFGNAMFIPLMHL-ROUUACIJSA-N 283.500 4.753 30 10 CJEE Cc1[nH]c2ccc(C(C)(C)C)cc2c1C(C)(C)CC#N 527395863 DVAWPQYUOKVZAL-UHFFFAOYSA-N 268.404 4.965 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 649154372 MVSIVFMYYUYPCU-WMZOPIPTSA-N 295.426 4.509 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cscc1C 686682772 PONUKYPXOGLWMQ-MRXNPFEDSA-N 263.450 4.681 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2sccc2s1 686700798 WOHAECDAWOXNEK-GFCCVEGCSA-N 277.458 4.807 30 10 CJEE N#C[C@]1(CC2(c3ccccc3)CCCC2)CCCS1 686732037 IAWCLOQHABHFEK-QGZVFWFLSA-N 271.429 4.678 30 10 CJEE N#CC1(CCOCC2CCCC2)CCCCCCC1 693046734 HZARMAQTLIWFOC-UHFFFAOYSA-N 263.425 4.838 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CC(C)(C)C1 695706378 XURSVQINQYVFJM-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(C)c(C#N)c1 701860644 GNDUTPDLEZAKAX-HNNXBMFYSA-N 259.393 4.742 30 10 CJEE CCC[C@@H]1CCCCN(CCCCC(C)(C)C#N)C1 703650489 URLLNNSKYBJXAG-MRXNPFEDSA-N 264.457 4.609 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCCC[C@@H]1C(F)(F)F 704045395 CUJVBMWGKIHHPP-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C[C@@H]1C[C@H](/N=C2/NC3(CCCCC3)CS2)CC(C)(C)C1 708274628 BTVZTMMHJIOSNA-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc2cc(C)ccc2o1 710682721 NEMSJBVGVJLAGJ-AWEZNQCLSA-N 277.795 4.925 30 10 CJEE CCCCCCC[C@H](NC)c1csc(COC)c1 710946257 AFOJOGWCDYLJEY-HNNXBMFYSA-N 269.454 4.516 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CC(C)(C)OC1(C)C 711320047 FCNRWYWYLPEMBX-CPUCHLNUSA-N 263.425 4.690 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CC(C)(C)OC2(C)C)C1 711321002 HYLBAUDMPUNSAR-KEYYUXOJSA-N 263.425 4.690 30 10 CJEE C=CCC(C)(C)CNC[C@H]1CCC[C@H](C(F)(F)F)C1 713040566 WDYOMNLDJVDVON-STQMWFEESA-N 277.374 4.547 30 10 CJEE C=C(CC)C[C@H](C[C@H]1CCCC1(F)F)NCCC 713949889 HBJGIUZSRHIVGL-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCC[C@H]2CCCC[C@H]21 714262325 QGRSLXQRZUADQL-DJIMGWMZSA-N 268.404 4.638 30 10 CJEE CCC1CCC(C#N)(CC[C@H](O)c2ccccc2)CC1 721307660 JKNSIGKBRXTZDU-NXYGQSRBSA-N 271.404 4.610 30 10 CJEE Cc1cc(C)cc(N=C2N[C@@H](C3CCCC3)CCS2)c1 725070245 GXSOOTHUSUJIPM-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1sc(C(C)C)nc1C 797048586 IXARFYGYHXAZQI-LBPRGKRZSA-N 295.448 4.781 30 10 CJEE C#CCCCCNC/C(C)=C\c1cccc(C(F)(F)F)c1 808395854 PVYPZCFOHWEWPJ-KAMYIIQDSA-N 295.348 4.502 30 10 CJEE C#CCCCCCC(=O)N[C@H](CC(C)(C)C)c1ccccc1 1125072310 WLJHQLVCRGELJP-GOSISDBHSA-N 299.458 4.864 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CCCC1(C)C 1128471666 BKSSLORZRBOSSH-PMPSAXMXSA-N 293.495 4.898 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)CC1CCCC1 1134515201 ONUKJJIYGJWKNI-IRXDYDNUSA-N 277.452 4.550 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C(C)(C)C)s2)C1 1179519766 AHTSNKYXKUTWAC-UONOGXRCSA-N 277.477 4.880 30 10 CJEE C#CCCCCCCN1C[C@H](C)Oc2c(Cl)cccc21 1194189150 CAKWORMPIBBGKJ-AWEZNQCLSA-N 291.822 4.511 30 10 CJEE C=C(C)CCN(Cc1ccccc1C(F)(F)F)CC1CC1 1194262543 PERSIDFTDWZEGT-UHFFFAOYSA-N 297.364 4.884 30 10 CJEE C#Cc1ccc(CNCC2CCC(CCCC)CC2)cc1 1199732783 RKENBCJIWGSPLP-UHFFFAOYSA-N 283.459 4.754 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc2sccc2c1 1206128079 PYBCYHMVZCSAPK-OAHLLOKOSA-N 259.418 4.736 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCSC(C)(C)C1 1207675698 QTQQVWOOASIGBC-CABCVRRESA-N 271.514 4.999 30 10 CJEE C=CCC[C@H](NCc1ccc(F)cc1F)c1ccccc1 1307626695 MGMZOBRGZSYICY-SFHVURJKSA-N 287.353 4.762 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(C)c(SC)c1 1310957602 FSYWISJMXPSNRM-UHFFFAOYSA-N 292.448 4.537 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C(C)=C/c1ccccc1Cl 1357587583 SLVRRNJHBSOMSP-XTZCOPOCSA-N 291.822 4.604 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 1360778525 ARGNOWMJDADNNG-QFBILLFUSA-N 285.431 4.651 30 10 CJEE C=CCN(CCCSC(C)(C)C)CC1CCCCC1 1459494757 YPHJNJMGWQFBPX-UHFFFAOYSA-N 283.525 4.977 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 1461550475 QSOUXCRFURLYNT-SJORKVTESA-N 270.372 4.593 30 10 CJEE C=CCCC[C@@H](Nc1nccs1)c1ccccc1 1472865937 MLFWHLMIVDVRGE-CQSZACIVSA-N 258.390 4.653 30 10 CJEE C=CCCCN[C@H]1CC(C)(C)CCc2ccccc21 1473417235 YRXUSSCCWLTMEV-KRWDZBQOSA-N 257.421 4.646 30 10 CJEE C=CCOc1ccc(CN(C[C@H]2C[C@H]2C)C(C)(C)C)cc1 1474334308 LFKOISMUYBYATN-NVXWUHKLSA-N 287.447 4.508 30 10 CJEE C=CCCCCCCNC(=O)Cc1c(C)oc2ccccc12 1539609900 VMZDQMIDHQKFEI-UHFFFAOYSA-N 299.414 4.536 30 10 CJEE C=CCCCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1559591412 ZOGAABKTLXOFSM-KGLIPLIRSA-N 265.828 4.730 30 10 CJEE C=CCC[C@H]1CCCN1Cc1oc(-c2ccccc2)nc1C 1560199840 FLTAXSWSGVVPKU-KRWDZBQOSA-N 296.414 4.581 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC[C@H](CCC(C)C)C1 1560543270 LUEIQPAIVTVQEE-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@H](C)Nc1cc(C#N)ccc1OC 1560744977 WLKQHGPSKSJCNM-AWEZNQCLSA-N 272.392 4.504 30 10 CJEE C=C1CCC(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)CC1 1584441025 WFLVVXZCGPBEOD-GOSISDBHSA-N 297.442 4.733 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC1CCCCC1 1587233985 NGXKZWMLAMXRLB-MSOLQXFVSA-N 291.479 4.988 30 10 CJEE C=C[C@H](CC)CC(=O)N(C(C)C)[C@H](C)c1ccccc1 1596059533 SPMMBGGSEWWFEK-HZPDHXFCSA-N 273.420 4.587 30 10 CJEE CC#CCCCC(=O)Oc1c(Cl)ccc2ccccc12 1596982830 GZUOACOQSBZMHT-UHFFFAOYSA-N 286.758 4.592 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 1597308339 YUBALRMFMPKNGC-RYQLBKOJSA-N 299.458 4.677 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](C)c1csc2ccccc12 1603633971 ABDYFHSVLHLZSI-CYBMUJFWSA-N 287.428 4.681 30 10 CJEE CCOc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 1614730962 SYLYRNVPXCKISJ-UHFFFAOYSA-N 290.284 4.504 30 10 CJEE C=CCCCN(CC)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 1616680751 OHDPDEXZPJBIHN-FUHWJXTLSA-N 287.447 4.631 30 10 CJEE C=CC[C@H]1CC[C@H](NCCCCCc2ccccc2)C1 1620765707 QLXHYNSQYFHUHD-OALUTQOASA-N 271.448 4.734 30 10 CJEE CC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccc(C)c(F)c1 1621205220 CQIXYNWUQPZWPG-CJNGLKHVSA-N 276.399 4.503 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCC[C@@H](C(C)C)CC1 1621271585 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CC1(C)CC[C@H](CC[C@]2(C#N)CCOC(C)(C)C2)C1 2344861607 LZASVKUDKDGSDO-PBHICJAKSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@H](C(C)(C)C)C1 2352008427 LBUPXSULHOYYSQ-XEZPLFJOSA-N 284.465 4.744 30 10 CJEE C=CCC(CC=C)S[C@@](C)(C(=O)O)C1CC(C)(C)C1 2352010273 YCOLBDGBQZYNJH-MRXNPFEDSA-N 282.449 4.520 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)[C@]2(C#N)CCCCO2)c1Cl 2353186790 SAEXHNBNGOQZCV-IAQYHMDHSA-N 298.213 4.868 30 10 CJEE C=CCOc1ccc([C@@H](O)C[C@@H](CC)CCC)cc1 2353458960 XKFASMQTGBJBLD-YOEHRIQHSA-N 262.393 4.501 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@]12COC[C@@H]1C2 2354592274 KTJFFUUWAQXAMJ-KSZLIROESA-N 281.484 4.661 30 10 CJEE C#CCCC[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354883118 QQCICZXCZFDNCH-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@@H]1O2)NCC 2355049281 HZHYZAFTKJZFHF-XDNAFOTISA-N 281.484 4.673 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(C#N)cc2)c(C)c1 21518015 TVLODKWBQXJQJG-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CC[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1 36954517 ZTCAYPOSXSXBCJ-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(CC)Cc2ccccc2)C1 37146871 OGODHEJORXWHIX-YTQUADARSA-N 284.447 4.617 30 10 CJEE CCCCCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 37343995 ISYUVNQJAOICAA-JTQLQIEISA-N 284.186 4.750 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1ccc2ccccc2c1 37935769 CBXFDOKJPPTOMD-SFHVURJKSA-N 276.314 4.656 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1ccccc1C(F)(F)F 37937076 YHSIEEDZWRUSQU-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2ccccc2F)c1 57686408 YSROVFZDDDWEJZ-OAHLLOKOSA-N 283.346 4.601 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 57743290 WTEDBTFYBUSVBD-GFCCVEGCSA-N 294.156 4.982 30 10 CJEE N/C(=N/c1cc(Cl)c(Cl)cc1Cl)C1CCCC1 62988621 CSJUBPTXXJCAFV-UHFFFAOYSA-N 291.609 4.826 30 10 CJEE C=C(C)COc1ccccc1CN[C@H](CC)c1ccccc1 66117008 ZNNAKVWLIPLUJA-LJQANCHMSA-N 295.426 4.882 30 10 CJEE CCCc1oc(-c2cc(Cl)c(C)cc2OC)cc1C#N 77081983 ZJGJWYPPTWMEMV-UHFFFAOYSA-N 289.762 4.741 30 10 CJEE C[C@@H](CCS)CCOc1cc(Cl)ccc1Cl 87078031 GNPWWCVPAKLUEH-SECBINFHSA-N 279.232 4.718 30 10 CJEE C=CCc1cc(N)ccc1OCc1csc2ccccc12 89064815 DLOYHTTYHOMXHY-UHFFFAOYSA-N 295.407 4.791 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)c2ccc(F)cc2)CC1 91881334 YHEVRVONUOZANC-BFHRDPOASA-N 289.394 4.605 30 10 CJEE C[C@H]1CCCC[C@H]1OCC1(CS)CCCCCC1 94583656 RRXJAKKMIFNIFO-LSDHHAIUSA-N 270.482 4.852 30 10 CJEE Cc1ccccc1CSC[C@@H](CS)c1ccccc1 94589564 SNXDPZICMVDSKY-QGZVFWFLSA-N 288.481 4.942 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1CCCCC[C@@H]1C#N 94848749 MKNSEXCEDXIAHY-SJLPKXTDSA-N 276.468 4.750 30 10 CJEE CC(C)Cc1ccc([C@H](O)C2(C#N)CCC(C)CC2)cc1 94904994 PFSHHAZNBLOMAI-OBONGRFPSA-N 285.431 4.639 30 10 CJEE N#CCc1ccc(NC2(c3ccccc3)CCCC2)cc1 98169859 ROFMWJQYTIOWNT-UHFFFAOYSA-N 276.383 4.634 30 10 CJEE CCCCCCCOc1ccc(C(=O)NCCCC)cc1 100254489 DOJHUXKUOYOICU-UHFFFAOYSA-N 291.435 4.566 30 10 CJEE CCC#CCCc1cc(C(C)(C)C)ccc1OCC 107601078 BZEBHVPOCBCLIG-UHFFFAOYSA-N 258.405 4.729 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1ccc(C)cc1 109779781 NKLKLBKTEWLXTD-QGZVFWFLSA-N 263.425 4.518 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCC[C@H]2C(C)(C)C)c1 110028705 FGGAHYVNRYXVCL-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc(C(C)C)cc2)c1 110260612 FOWBUVVOMIPZQY-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCCN1C[C@H](CCN)c2ccccc21 110518192 HLMMWNOKRVGXJX-KRWDZBQOSA-N 288.479 4.690 30 10 CJEE CCCCCCCCCN1C[C@H]([C@@H](C)CC)NCC[C@@H]1C 114349803 UXASPABEXJJMLJ-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@]1(O)CCCc2ccccc21 114871311 HBGPTIKBMHAYCK-GOSISDBHSA-N 260.421 4.961 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)ccc1OC 115062597 TZMTXFSXRUIYFA-HNNXBMFYSA-N 267.388 4.585 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ccn(C)n1 115689191 XEBRQMSRUDOZFQ-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1COc2ccccc2C1 115845255 UMNLEUXUCZDERY-ZWKOTPCHSA-N 289.463 4.706 30 10 CJEE CCCCCCCCCC(=O)C1(N(C)C)CCCC1 118172557 OVIAYIXNJBZLQH-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1SC 122396081 QSGZXWFUXDBTHX-OAHLLOKOSA-N 280.481 4.664 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1COc2ccccc21 124657506 MAKVAAUTRSWCEF-IRXDYDNUSA-N 275.436 4.631 30 10 CJEE CCCCCCCCCC[C@H](CSC(C)(C)C)NN 126608919 AQNWGXNIRWJMNN-OAHLLOKOSA-N 288.545 4.881 30 10 CJEE CCSc1cccc(N[C@H](CC)C(C)C)c1C#N 128324716 BEFLJWCHSBRMCO-CYBMUJFWSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCCNc1nc2cc(C)ccn2n1 129404342 IULQXLLKIUQPGX-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE CCCCCCCCNc1cc(Cl)ccc1C(=O)O 147329764 TUZQNGFIGDAJDF-UHFFFAOYSA-N 283.799 4.811 30 10 CJEE CCCCCCCn1ccc2cccc([N+](=O)[O-])c21 157975529 GPKDSYNWNJIROX-UHFFFAOYSA-N 260.337 4.520 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 158339334 YFAVJRQHRPCPKR-ZDUSSCGKSA-N 284.325 4.958 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)c(F)c1F 158959750 MNGNPDQZJGHVQL-ZDUSSCGKSA-N 273.342 4.854 30 10 CJEE CCCCCCCCCCn1c(C)cnc1S 159156276 FMHSOCLIMLQYCW-UHFFFAOYSA-N 254.443 4.621 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CCCS1 161016059 IKQWHLZDJLHESZ-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE Cc1cc(F)ccc1OCC1(CS)CCCCCC1 163375866 MRQPSFYCEIFTLE-UHFFFAOYSA-N 282.424 4.783 30 10 CJEE Cc1ccc(C(=O)C2=CCCCCC2)c(Br)c1 163630826 QKRKPRBQOLCWSX-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE N#Cc1cc(Oc2cccc(F)c2F)ccc1C(F)(F)F 164504192 QUOGXUHPDKLMSG-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 164936772 JCPRIJVXDGWOLE-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE Cc1cccc(C)c1[C@H](C#N)Nc1ccc(Cl)cc1 215857636 DESDHUSEEFPHMJ-HNNXBMFYSA-N 270.763 4.634 30 10 CJEE CC(C)CN(C(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222800536 XLZKKMTZFCXYIN-IXDOHACOSA-N 278.484 4.707 30 10 CJEE Cc1cccc(C(C)C)c1Nc1cc(F)cc(C#N)c1 227605191 YFWFGBCIOMBSFD-UHFFFAOYSA-N 268.335 4.873 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 228819315 BHZKVDQUDYHEFU-HZPDHXFCSA-N 259.437 4.890 30 10 CJEE C=CCC[C@@H](C)N[C@H]1CC(C)(C)Cc2oc(C)cc21 228822729 APHJVFGZJUTXBZ-DOMZBBRYSA-N 261.409 4.546 30 10 CJEE CCCCCCCCCC[C@H](O)C1C[C@H]2C[C@@H]2C1 229274858 CIYQZXRRVGCWCC-INMHGKMJSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCOC2(CCC2)C1 229833099 DYDUTAWUKWZGQG-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE O=C(C1=CCCCCCC1)c1ccoc1Br 232463938 UIRWCOKUKXXNCP-UHFFFAOYSA-N 283.165 4.505 30 10 CJEE CC(C)(C)c1ccccc1Nc1nccc(C#N)c1Cl 232512560 VWAKHMJJYADXKN-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE CC(C)CCSc1ccc(CNC(C)(C)C)cc1C#N 232681048 WFRXHXJOJUZKNS-UHFFFAOYSA-N 290.476 4.585 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncccc1Cl 232952357 QMJQCBVCVNNPMG-CQSZACIVSA-N 269.816 4.909 30 10 CJEE C=CCCCCCC(=O)C(CC)(CC)N(CC)CC 233432339 NRAMFHZYPJUAQA-UHFFFAOYSA-N 267.457 4.593 30 10 CJEE CCO[C@@H](C(=O)C1=CCCCCCC1)C1CCCCC1 233756480 JDUIMGVVWKXSIQ-GOSISDBHSA-N 278.436 4.822 30 10 CJEE Cc1cc(Cl)ccc1C(=O)[C@H](CC#N)c1ccccc1 235777228 XVXLBDYTTCAHAR-MRXNPFEDSA-N 283.758 4.529 30 10 CJEE N#C[C@H](c1ccccc1)c1ccc(-n2cccc2)cc1Cl 247747766 QWYCGSUYSOUMHH-QGZVFWFLSA-N 292.769 4.786 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1ccccc1C(F)(F)F 251885382 VOLSYPYMESVUAV-SWLSCSKDSA-N 296.336 4.535 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]([C@H](C)N)C1 252781784 NBFXNNJDUYUQFJ-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CC12C[C@@H]3C[C@H](C1)CC(C(=O)[C@H](C#N)c1cccs1)(C3)C2 252798206 NFPVROGUGMCHGS-JVDDPLHJSA-N 299.439 4.531 30 10 CJEE CCC(C)(C)C1CCC(O)([C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252816503 KMGRESUNXZAVMR-MUGVHRIYSA-N 289.463 4.674 30 10 CJEE C[C@@H](C#N)c1ccc2c(ccn2C2CCCCC2)c1 260069691 PPHLMGKLXSXZRT-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE N#CC[C@@H](c1ccc(Br)cc1Cl)C1CC1 260524768 ZTYCFGZLACMUPR-SNVBAGLBSA-N 284.584 4.510 30 10 CJEE CC[C@@](C)(C#N)c1c(Cl)cc(Cl)cc1Cl 308921915 PENIKDXPBZSYRE-NSHDSACASA-N 262.567 4.838 30 10 CJEE CCCC[C@H](C)C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 312279599 PAXKZMHFVFZFKS-YOEHRIQHSA-N 271.404 4.813 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)[C@H](C)C2CCCCC2)C1 313176856 JZOKGLGITUSOFP-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE CC(C)NC[C@]1(CC#CC(C)(C)C)CCC[C@@H](C)C1 317408646 OMXSGDVGINFHMS-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCC12CCCC2 328295123 SPTINXIIUCWNAO-MRXNPFEDSA-N 272.367 4.531 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1CC(F)(F)C1 356226951 YPCOVSLCDPTLOZ-UHFFFAOYSA-N 293.357 4.522 30 10 CJEE CC(C)C1CCC([C@H](C#N)Nc2cccc(F)c2)CC1 380535939 UYWQMTCHAPMTKH-KVULBXGLSA-N 274.383 4.592 30 10 CJEE CC(C)[C@@H](CS)CSc1ccc2ccccc2n1 380651784 YPYZZMXOEKUHHA-ZDUSSCGKSA-N 277.458 4.529 30 10 CJEE CCC1CCC(C#N)([C@H](O)C2CCC(C)(C)CC2)CC1 380770401 ZUGQRFDYKYBFHK-BFHRDPOASA-N 277.452 4.674 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@](C)(O)c2ccsc2)CC1 382111036 KVRFDYJMBSOXTF-BLDCVEFLSA-N 291.460 4.702 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CC(F)(F)c1ccccc1 384734517 BUYIHMFDPDDUPZ-HIFRSBDPSA-N 263.331 4.889 30 10 CJEE N#CC1([C@@H]2CCOC3(CCC3)C2)CCCCCCC1 388685116 RKGQENVUXQXQEO-OAHLLOKOSA-N 261.409 4.590 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(CC)s1 388812734 RKZITCGSJZFAGF-HNNXBMFYSA-N 277.477 4.791 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCO[C@H](C)C1 388954963 VJDSWEWOJSKVHR-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](CCOC(C)C)NCCC 395424352 VUAPPFMQRGLTIT-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](C)NCc1cnc(C)cc1C 397497844 PIGKTKNNSMMAOG-HNNXBMFYSA-N 262.441 4.537 30 10 CJEE CCCCCCC[C@@H](C[C@H](CC)CC(F)(F)F)NN 402476051 LVIDCYLJSUPKIW-STQMWFEESA-N 282.394 4.548 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@](C)(C#N)c1ccccc1 405543806 MNWHNPOORLTOCS-JSGCOSHPSA-N 269.310 4.837 30 10 CJEE C#CCCCCCC(=O)Cc1ccc2ccccc2c1 686696819 DGDLOAWTSDYAOV-UHFFFAOYSA-N 264.368 4.535 30 10 CJEE CO[C@H]1CCCC[C@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688337965 NRSARPXYKKPDPQ-CABCVRRESA-N 277.452 4.938 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CC12CCOCC2 690034133 RCSMMCPWFMEFBT-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE C=CCC1(Nc2cc(Cl)c(N)cc2C)CCCC1 690731128 LRQVXPYAZFBPAI-UHFFFAOYSA-N 264.800 4.531 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@H]1CC1(F)F 691528848 VWPNMNVUSVOIKN-KBPBESRZSA-N 262.384 4.923 30 10 CJEE C=CCCSCCN[C@H](C)c1cc2c(s1)CCCC2 696044876 OVDCOYPDPZJFDC-CYBMUJFWSA-N 295.517 4.587 30 10 CJEE CCCCCCCCNc1nccnc1C(C)(C)C 699479672 NMPOOJAKHNIVMX-UHFFFAOYSA-N 263.429 4.547 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(C(F)F)c1 701205200 XTBVXXQNWVQETI-OAHLLOKOSA-N 284.394 4.879 30 10 CJEE C[C@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1C(F)(F)F 704940303 KKSGHBCHCSCVEK-GWCFXTLKSA-N 283.293 4.535 30 10 CJEE C=C(Cl)C[C@@]1(CNCCC)CCC[C@H](CC)C1 710678956 MRGUMMBQGBPSBX-GJZGRUSLSA-N 257.849 4.715 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714408910 FWNRBHAEBPPJAK-XDNAFOTISA-N 261.453 4.504 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 715704357 JHOGPIXRPORVSJ-XSCHDIRWSA-N 291.401 4.936 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)cc1F 715795934 DXNTWETUAUILNJ-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(C)cc2C)CC1 724443622 ULVHZFDDGFXBJG-INIZCTEOSA-N 257.421 4.700 30 10 CJEE C=C1CCC(CNCc2ccc(CC(C)C)cc2)CC1 724451511 NJVUPGSDNSTVNM-UHFFFAOYSA-N 271.448 4.721 30 10 CJEE C=C1CCC(CNCCc2ccc(Cl)cc2Cl)CC1 724560241 TUCFTLUMCOGZLL-UHFFFAOYSA-N 298.257 4.872 30 10 CJEE Cc1ccc(C=Nc2ccc(C(=O)c3ccccc3)cc2)o1 1084465941 LOHHITXDSBWVHF-UHFFFAOYSA-N 289.334 4.570 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CCC(C)(C)C1 1129417024 XRRMPUASXWUFRE-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(C2=CCCC2)cc1 1132193738 WRGXDVDQTUFAPL-UHFFFAOYSA-N 297.442 4.976 30 10 CJEE C=CCCC[C@H](NC(=O)c1cscc1C)c1ccccc1 1133168424 WFWGPCCVMADAFW-KRWDZBQOSA-N 299.439 4.884 30 10 CJEE C=C[C@](C)(CC)C(=O)NCc1c(CC)ccc2ccccc12 1133557368 DRASBQUQQCHFQF-HXUWFJFHSA-N 295.426 4.621 30 10 CJEE C=CCCCCN1CC[C@@H](c2ccccc2)[C@@H](CC)C1 1167602772 PQBQRNVUKJWGGR-PKOBYXMFSA-N 271.448 4.858 30 10 CJEE C=CCn1c(SC[C@@H]2CC[C@H]3C[C@@H]3C2)nc2ccccc21 1188053975 WBZASUHGWWWSMT-ILXRZTDVSA-N 298.455 4.751 30 10 CJEE C=CCC[C@H](C)NC[C@H]1CCCC[C@H]1c1ccccc1 1205832606 RXBRHOSFKBZQIU-UHOSZYNNSA-N 271.448 4.905 30 10 CJEE C#Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)c(Cl)c1 1207705519 ZTXMJDUOJVZRHE-HOCLYGCPSA-N 273.807 4.702 30 10 CJEE CCCCCCCCCOC(=O)Nc1cccc(N)c1 1239312178 FQRCBENMLYIAHT-UHFFFAOYSA-N 278.396 4.568 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1270812842 LZZDVNMDIRIVDE-NEPXVJNWSA-N 299.458 4.535 30 10 CJEE C#CCCCCCCSc1nc(C)c(C)n1CCCC 1307287137 BTDQQLRWQKQKDB-UHFFFAOYSA-N 292.492 4.976 30 10 CJEE C=C(C)CCN1CCc2ccccc2[C@H]1c1ccccc1 1307797921 DVILGLWNDTWPMG-HXUWFJFHSA-N 277.411 4.600 30 10 CJEE C#Cc1ccc(CN(CCCC)C2CCCCC2)cc1 1308783775 CZIVBQLXEBHFET-UHFFFAOYSA-N 269.432 4.603 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H](CC)CCCC 1459401130 SVDPMPYBLWMWRA-KRWDZBQOSA-N 284.447 4.763 30 10 CJEE C=CCCCN[C@@](C)(Cc1ccccc1)c1ccccc1 1460249424 XULSYPPGIXOTRZ-FQEVSTJZSA-N 279.427 4.700 30 10 CJEE C=C1CC(C)(C(=O)N(C)CCC[C@@H](CC)CCCC)C1 1470276287 QOPRPVJBEKOQQN-INIZCTEOSA-N 279.468 4.798 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1ccccc1C(F)(F)F 1474642419 NZWXLEHMUHFDOI-CYBMUJFWSA-N 299.380 4.828 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CCCCC1(C)C 1478169161 ZQNKHKRHXAYHJU-MRXNPFEDSA-N 294.483 4.781 30 10 CJEE C=CC[C@@H](C)NC(=O)N[C@@H](CC)c1cccc2ccccc12 1479346942 BLSFHAJCPXMBNB-KDOFPFPSSA-N 296.414 4.555 30 10 CJEE C=CCC1(CNC(=O)[C@H](C)CCC(C)(C)C)CCCC1 1521324517 ZEHQHXIYGBHQMN-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(C(F)F)c1Cl 1521551496 BGSBHBUVOXJHNK-SECBINFHSA-N 287.737 4.818 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1524109284 MHAAUNPRJWHALK-QGZVFWFLSA-N 285.431 4.516 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)SCCCC)CCCC1 1531942154 JPMBCRRMLYSSQU-OAHLLOKOSA-N 297.508 4.551 30 10 CJEE CC#CCCSc1nccn1-c1ccc(C(C)C)cc1 1559336177 IEZILTOKAYZPQB-UHFFFAOYSA-N 284.428 4.501 30 10 CJEE C#CCCCCCCN(C)[C@@H](c1ccccc1)C(C)C 1559535490 RRHWHJWGQKDWFY-LJQANCHMSA-N 271.448 4.899 30 10 CJEE C=CCN(Cc1cnc2ccccc2c1)CC1CCCCC1 1559537694 DAVCAXMZHUOCJM-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE C=C(C)CN(CC)Cc1ccc(-c2cccc(F)c2F)o1 1560720690 GIVRQDJVXRYHTK-UHFFFAOYSA-N 291.341 4.623 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(F)cc(OC(F)F)c2)C1 1560978473 PJNHPTVOJNQHKL-PWSUYJOCSA-N 285.309 4.584 30 10 CJEE COc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1F 1614826836 AYHLYLMDDQMTED-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)cc1)C(C)C 1621318518 HYZADJXJDVCCEW-LJQANCHMSA-N 297.829 4.754 30 10 CJEE C=CCN(CCCSC(C)(C)C)CCc1ccccc1 1641653468 QYWSYTZDMBTWIG-UHFFFAOYSA-N 291.504 4.639 30 10 CJEE C=CCCCCN(Cc1ccc(C)cc1)C(C)(C)C 1647830926 DMNTXGYTQIAUKF-UHFFFAOYSA-N 259.437 4.952 30 10 CJEE C=CCCCN(CC)CCCc1ccc(Cl)cc1 1648544089 GLTYZHLDWFOZQV-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE C#Cc1ccc(CN2CCC[C@H]2c2cccc(C)c2C)cc1 1651755199 YPQBDNJSOJSYJV-NRFANRHFSA-N 289.422 4.622 30 10 CJEE C=C(C)CCN1CCc2ccccc2[C@@H]1Cc1ccccc1 1653800356 KLRZPDVCYKXNAM-NRFANRHFSA-N 291.438 4.795 30 10 CJEE C=C(C)CCN(C)[C@H]1CCCC[C@@H]1c1ccccc1 1654738175 RCLZWUBOVRODLQ-MSOLQXFVSA-N 257.421 4.611 30 10 CJEE C=CCCCCCCCNCc1cnc2ccccc2c1 1656367151 YWRBRCIYEHIPIL-UHFFFAOYSA-N 282.431 4.851 30 10 CJEE C=CC[C@@H]1N(CCCCC2(C#N)CCC2)CCCC1(C)C 1658465911 CUUTZIHQKMSKIA-KRWDZBQOSA-N 288.479 4.917 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc2c1OC(C)(C)C2 1659683839 MRUXJXIETKUVPB-OAHLLOKOSA-N 273.420 4.947 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)c1ccccc1O 1660505525 RADNAVIIHNKZSG-LSDHHAIUSA-N 261.409 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC1(C(C)(C)C)CCC1 1876787895 ROWGYWYGYGWFRK-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCCC[C@H](CC)N=C1N[C@@]2(CCC[C@@H](C)C2)CS1 1879350339 HNCSDTPQJJSDFY-IJEWVQPXSA-N 282.497 4.597 30 10 CJEE CC#CCCC[C@H](CC1CCCCCC1)NCCC 1879645312 VWNSHSZJCSEBKK-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CC#CCCC[C@@]1(CNCC)CCCCC12CCC2 1879651922 XWOKPDRTBKMLRI-SFHVURJKSA-N 261.453 4.520 30 10 CJEE CCCCCCCCCCn1cc(OC(C)C)cn1 1883857921 JABYIOOHNNQQKQ-UHFFFAOYSA-N 266.429 4.811 30 10 CJEE CCCCCCCCCCN(C[C@H](C)OC)C(C)C 1883861365 FWDNDJNWDDQFIM-KRWDZBQOSA-N 271.489 4.872 30 10 CJEE CC#CCCCCNc1cc(Cl)cc(C(F)(F)F)c1 1885245199 RGXLGQUOSUROTI-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC=C(C)C 1888341060 OAOSCJLENBBQKB-QGZVFWFLSA-N 294.439 4.662 30 10 CJEE CCCCCCCCN(C)[C@H]1C[C@H]2CC[C@H]1C21CC1 1906943073 HLIKEPGDGJGEOJ-ZACQAIPSSA-N 263.469 4.857 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CCC=Cc1ccccc1 1911989194 KEUHRKSLOQQVJP-SJLPKXTDSA-N 256.389 4.875 30 10 CJEE CC[C@@H]1NC(=N[C@H]2CCCC(C)(C)CC2)S[C@@H]1CC 1912030300 UHHIVAXEHBPJJK-MELADBBJSA-N 282.497 4.595 30 10 CJEE CC#CC[C@H](O)c1ccc(-c2ccccc2Cl)s1 1919699021 WZEFMKKIWYICLT-ZDUSSCGKSA-N 276.788 4.515 30 10 CJEE N#Cc1c(Cl)cccc1NCc1cscc1Cl 1942340960 QFDAONUTNSJLEH-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=C(C(=O)[C@H]1CCCC(C)(C)CC1)[Si](C)(C)C 1950924054 XCNXEKJQMSYCAR-ZDUSSCGKSA-N 252.474 4.596 30 10 CJEE C=CCC[C@H](C[C@@H](C)COCc1ccccc1)NCCC 1955657000 IDEOPSINIXMCOD-IEBWSBKVSA-N 289.463 4.564 30 10 CJEE C=CC[C@@H](C)OCc1cc(Br)ccc1Cl 1957696858 MVKYTVMMODMADH-SECBINFHSA-N 289.600 4.584 30 10 CJEE C=C(C)CC[C@@H](C)NC1CC(c2ccc(Cl)cc2)C1 1964566923 MXZVKVQQQDBCIH-BZOOQXSSSA-N 277.839 4.920 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(Cl)c1 1970663628 HFCAFGLTIXOGOA-BFHYXJOUSA-N 274.795 4.592 30 10 CJEE N#Cc1cc(Cl)ccc1NCCC12CCC(CC1)C2 1973945031 BSEXOUCLRSYSQL-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=C1CC(C#N)(Cc2ccc(Br)cc2Cl)C1 1976419661 WISOOXKWYOJUTK-UHFFFAOYSA-N 296.595 4.505 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(C)c(Br)c1 1998848491 JOOHRFVEQODKRW-GFCCVEGCSA-N 296.252 4.620 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(Br)c(C)c1 2009481533 JKMGWBGWTNNSPR-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CC1(CN[C@H](C)c2csc(Cl)c2)CCCC1 2015504432 WCXHUWACCUSLTF-LLVKDONJSA-N 269.841 4.799 30 10 CJEE CCCCCCCCN(C)c1cc(Cl)ccn1 2019937822 GHSURKYUUMQZRB-UHFFFAOYSA-N 254.805 4.532 30 10 CJEE C=CCCCCCCCCSC(=N)NCCC 2026311478 AMEVVBBDOBOYRC-UHFFFAOYSA-N 256.459 4.571 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCSC2CCCCC2)C1 2031790095 DOYVWAHUBGBNLY-GOEBONIOSA-N 268.466 4.838 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC(C)(C)C(F)(F)F 2033188389 PYGCWOYGBBANCF-LLVKDONJSA-N 265.363 4.545 30 10 CJEE C=C([C@H](NC)C1CCC(CCC)CC1)C(C)(C)C 2035414477 VKOKSBGOIMFTAA-GPANFISMSA-N 251.458 4.783 30 10 CJEE N#C[C@]1([C@H]2CCC3(CCCC3)C2)CCC(F)(F)C1 2037678640 MCOLYWGIJFLWCI-JSGCOSHPSA-N 253.336 4.676 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1c(F)cccc1Cl 2040531502 YCOWISNZHKCADI-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE C=C([C@H](NCC)C1(C)CCCCCC1)[Si](C)(C)C 2045796114 FLBMPXRLWKJURQ-HNNXBMFYSA-N 267.533 4.759 30 10 CJEE CCCCCCC[C@H](C)NCC[C@H](C)C(F)(F)F 2047781050 YTMKKZLSIXZFSU-STQMWFEESA-N 267.379 4.914 30 10 CJEE CC1(C)CCC[C@@](C#N)(Cc2cc(Cl)ns2)CC1 2048350711 CMSUUMXIYAVOQH-AWEZNQCLSA-N 282.840 4.839 30 10 CJEE CCC1CCC(C=O)(C2CC(C(C)(C)C)C2)CC1 2048586872 XRXBHQQGWSGTIB-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C#Cc1cccc(C(C)(C)C)c1OCC1CCCCC1 2049398747 TWWHGTGGRUQYBG-UHFFFAOYSA-N 270.416 4.925 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC2(CC2)C1)NC 2049846887 XBPNGXYXABPFBB-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE N#C[C@@]1(C[C@H](F)C2CCCCC2)CCC(F)(F)C1 2058015780 CTNGBPRDDPSGQQ-QWHCGFSZSA-N 259.315 4.624 30 10 CJEE C=CCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC 2059114041 GERNVOHHMSAQNA-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE CC[C@@H]1CC=C(C(=O)C[C@@H]2CCCC2(F)F)CC1 2061171902 TYJYPHOWOZVNHE-YPMHNXCESA-N 256.336 4.518 30 10 CJEE C=CCCCCC[C@H](N)[C@@]1(C)CCCC(F)(F)C1 2068391723 YJAKOHOSDKNPQN-KBPBESRZSA-N 259.384 4.666 30 10 CJEE O=C1C(=Cc2cccs2)CC/C1=C\c1cccs1 2069536845 KPFZCKDPBMGECB-IQYMAPIOSA-N 272.394 4.640 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NC 2072383721 ILBROYCJWZUIDZ-GJZGRUSLSA-N 275.417 4.726 30 10 CJEE CCCC1CCC(C[C@]2(C=O)CC[C@H](C)C2)CC1 2072775578 PMSKOVOGOXUCOC-OTBWCIGPSA-N 250.426 4.988 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C=O)CCCSC2)CC1 2073841971 VJYBVNMGEBAUJH-JYJNAYRXSA-N 268.466 4.695 30 10 CJEE CCCCCCCCN(C)[C@H](C)C[C@@H](C)C(F)F 2074914147 NMTUBTVQBABNTJ-ZIAGYGMSSA-N 263.416 4.959 30 10 CJEE C=CCC[C@H](C)N(C)Cc1cscc1C(F)(F)F 2075248789 GLTDRRLAAMRJKE-JTQLQIEISA-N 277.355 4.553 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2nc(Cl)cs2)CC1 2076458518 XVCHNLBRPGUYNX-CQSZACIVSA-N 285.840 4.515 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1cccs1 2076571391 YHWLLQNIYOANIQ-MRXNPFEDSA-N 257.402 4.502 30 10 CJEE CC(C)(C)c1ccc(-n2nc(C3CC3)c(C#N)c2Cl)cc1 2080366422 KMHIMEAXPKWAAK-UHFFFAOYSA-N 299.805 4.572 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)OC(C)(C)C 2081066473 FWKQVKGTHZEICH-UHFFFAOYSA-N 275.392 4.886 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)ccc1C 2081521340 GONHFMTXOPVTHM-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H](CC)CCCC 2083406430 ULDJSBHTCNDHCT-SJORKVTESA-N 251.458 4.765 30 10 CJEE CCCCCC#CC[C@@H](O)c1cc(C)ccc1Cl 2083410889 NAZKBMJNVSKPAT-MRXNPFEDSA-N 264.796 4.656 30 10 CJEE N#C[C@@H](C(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 2083545797 KLJCTUWNJXEEBI-GFCCVEGCSA-N 296.178 4.545 30 10 CJEE CCc1ccccc1C[C@]1(C=O)CCC[C@H](CC)C1 2087704118 CMFTZPPSCSKRMN-YJBOKZPZSA-N 258.405 4.577 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]21 2089216306 ITRGANUDMXSWNX-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)C[C@@H](C)CC 2091034247 YUWQHZHCEIUMDV-RDJZCZTQSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](O)c1csc(C)c1 2092202498 PYYUBLKELPDDOM-CVEARBPZSA-N 283.481 4.558 30 10 CJEE CC[C@@H]1CCC[C@](O)(CC#CC2CCCCC2)CC1 2093458886 ACBMTUHIXCJMRA-AEFFLSMTSA-N 262.437 4.682 30 10 CJEE CO[C@H](C[C@]1(C#N)CCCC[C@@H]1C)C1CCCCC1 2093867598 CPFNGLUEIOUIJY-UAGQMJEPSA-N 263.425 4.692 30 10 CJEE C=C([C@H](O)[C@@H](c1ccccc1)[C@H](C)CC)C(C)(C)C 2096633331 QJLCVTUSXTUETP-XYPHTWIQSA-N 260.421 4.780 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CCC(C)(C)O2)CC1 2100870254 BOXBIEOHDPFOJL-YOEHRIQHSA-N 266.425 4.510 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2cscc2C(F)(F)F)C1 2100964119 NETKCPSOMCKDLX-GXFFZTMASA-N 290.350 4.705 30 10 CJEE C=C1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 2101164775 DTTONLMGXOULCJ-UHFFFAOYSA-N 290.716 4.665 30 10 CJEE C=CCCCCCCNc1cnccc1C(F)(F)F 2101192738 XANCBLRUCSLAQZ-UHFFFAOYSA-N 272.314 4.649 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CCC1 2101260190 QSIBKMIRGSRTHS-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)C1(C(F)(F)F)CCCCC1 2102112038 PWYZRYTVFWSHGE-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C[C@@H](CC(C)(C)C#N)N[C@@H](C)C1CCC(C)(C)CC1 2102241209 YPNYFSRWXCNGMK-KBPBESRZSA-N 264.457 4.509 30 10 CJEE CC(C)[C@H]1CCC[C@H](NCCCC(C)(C)C#N)CC1 2103208625 GGKVCSAYNUOIRZ-HOTGVXAUSA-N 264.457 4.511 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(F)c(Cl)c1F 2107916841 MXNNGIYDNWEFSJ-BMIGLBTASA-N 287.781 4.871 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cc2ccccc2s1 2108711874 COLWQUBGUNEAIC-GUYCJALGSA-N 272.413 4.839 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2CCCC2(C)C)CCC1 2111712637 ZFHGGTBTZZLLKQ-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@H](N)c2ccccc2CC(C)C)CCC1 2111717468 DSWHMXAUMFPTIG-KRWDZBQOSA-N 257.421 4.631 30 10 CJEE Cc1ccc(C#N)c(NC2CCCCCCCC2)c1 2112405611 GXBHOZHJRWFHLB-UHFFFAOYSA-N 256.393 4.782 30 10 CJEE CCC(C)(C)N(CCC#N)Cc1c(Cl)cccc1Cl 2114335460 NYCISOMOMMHWNZ-UHFFFAOYSA-N 299.245 4.898 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1cnc(C(C)C)s1 2114349691 LHEVYWQAAFWLMW-DZGCQCFKSA-N 280.481 4.910 30 10 CJEE C=C(C[C@H](NCCC)c1cc2sc(C)cc2s1)OC 2114567665 MOWFWDVTUGPGEM-LBPRGKRZSA-N 295.473 4.862 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cnc(C(C)(C)C)s1 2116335686 WSQYXYIMSYAFQI-LRDDRELGSA-N 276.449 4.703 30 10 CJEE C=C1CCC(CC2(CNC)CCC3(CC3)CC2)CC1 2120100916 JVXIEPZHWPMYPP-UHFFFAOYSA-N 261.453 4.683 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc3sncc3c2)C1 2120693032 JZZJSLGEXVLNHS-BLLLJJGKSA-N 270.401 4.559 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(SC)cc2)cc1 2120725837 KVNQFUCTEIWKEX-CYBMUJFWSA-N 267.397 4.563 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@@H](C)C(F)(F)F 2121448089 KKPJHDMXPFXMRP-SYQHCUMBSA-N 277.374 4.688 30 10 CJEE C=C(F)C[C@@H](NCCC)C1(C(F)(F)F)CCCCC1 2126107450 AOCANUHNDNXCFL-GFCCVEGCSA-N 281.337 4.741 30 10 CJEE CCCCCCCCC[C@@]1(N)CS[C@H](C(F)(F)F)C1 2132716290 ZFPFVZUYYARYCJ-STQMWFEESA-N 297.430 4.892 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CC23CC(F)(F)C3)C1 2133017570 GERFIUJGNHHSHM-RDBSUJKOSA-N 270.363 4.597 30 10 CJEE CCC[C@H](Nc1cccc(SCC)c1C#N)C(F)F 2133475632 NQDGUUXOMQKHHY-LBPRGKRZSA-N 284.375 4.516 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1C[C@@H]1c1ccccc1 2135649000 ONBDEOWXVQAKMB-VDHUWJSZSA-N 256.389 4.576 30 10 CJEE CCCC#CC[C@@H]1C[C@@H](C)CC[C@@H]1CNC(C)(C)C 2138990687 OBLFCLZGHPCIOI-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCC#CC[C@H](CCC(C)(F)F)NCCC 2139002455 ORLQYYYAOYQZSH-OAHLLOKOSA-N 273.411 4.764 30 10 CJEE C=CCCCCCC[C@@](C)(N)Cc1ccc(F)cc1 2141907980 JXTDLMTURIVPSH-QGZVFWFLSA-N 263.400 4.612 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@](C)(F)C(F)(F)F 2141917154 SEHWORSYJKDUNC-OLZOCXBDSA-N 283.353 4.782 30 10 CJEE C=CCCCCCC[C@H](NC)[C@H]1C[C@H]1C1CCCC1 2141921453 JYJNJXPWGLQFHO-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCNC1CCP(C)(=O)CC1 2142447648 JPADHDZMXYOMGY-UHFFFAOYSA-N 285.412 4.648 30 10 CJEE CCCCCCCC[C@H]1CC[C@H](CNC(C)(C)C)O1 2142453958 WGJTXQAPRURXEN-JKSUJKDBSA-N 269.473 4.673 30 10 CJEE CCCc1ccccc1CNc1cc(C#N)ccc1Cl 2144499229 FBZQFELCUNXKDD-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE N#Cc1cc2ccccc2nc1SCC1CCCCC1 2145496405 IBVJILLDWLJDBO-UHFFFAOYSA-N 282.412 4.779 30 10 CJEE CCSc1cccc(NC2CC[C@H]3C[C@@H]3CC2)c1C#N 2145672282 XDIGUMGVKPKSHT-STQMWFEESA-N 286.444 4.661 30 10 CJEE CCCC1CCC(C#N)(C[C@@]23CCC[C@@H](CO2)C3)CC1 2146252641 NYLLRHVGOXHKKG-FPQWYMTMSA-N 275.436 4.836 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CC1CC1)NCCC 2147411637 ARGMKZDGSXNXHI-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](O)[C@H]1C[C@@H]1C 2148590822 NMTISJIDOMWARV-XLAORIBOSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](O)C1(C)CCC1 2148621930 WCGHVZRUQKJDKE-SJORKVTESA-N 283.500 4.656 30 10 CJEE O=C(CC#CC1CCCCC1)[C@]12CCCC[C@@H]1CCC2 2149858943 UGTQHEDDMAEYBB-MJGOQNOKSA-N 272.432 4.890 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)CCC1(C)CC1 2149869004 DFFYNNZFKIMOFA-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@H]1CC[C@@H](CC)C1 2149869495 GXVLEAIRUYNQAY-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CN)C1CCCCC1 2150140166 OICQWSQHYLIIDO-ZWKOTPCHSA-N 283.500 4.643 30 10 CJEE CC1(C)CCC[C@@]12CSC(=NC1CCCCCCC1)N2 2150544390 BNVUUHQTAVVLEF-QGZVFWFLSA-N 294.508 4.741 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCCC3(CCCC3)C2)c1 2151827822 HLQFXGDKPOVVOY-MRXNPFEDSA-N 268.404 4.782 30 10 CJEE C=C(CN[C@@H]1CCCC2(CCCC2)C1)c1ccccc1 2151830240 KGIQXLCORQZWFC-GOSISDBHSA-N 269.432 4.792 30 10 CJEE CCCN[C@@]1(C#N)C[C@@H](SC2CCCC2)CCC1(C)C 2155400017 IDJCMWKGIWWSKM-DOTOQJQBSA-N 294.508 4.503 30 10 CJEE CC1(C)CCC[C@H](CN=C2N[C@H](C(C)(C)C)CS2)CC1 2157112042 NGRWMHBASXAHQO-KBPBESRZSA-N 296.524 4.700 30 10 CJEE CC1(C)CC2(CC([C@@H](N)CC#CC3CCCCC3)C2)C1 2157195507 BLTBUKZWJXCBAS-KRWDZBQOSA-N 273.464 4.504 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](O)c1cscc1C 2157217471 WDVGQQCZRIYIOS-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE C=CCC[C@H](C)[C@H](Cc1cc(C)ccc1C)NCCC 2158319542 DROSQPNBHQMNBR-HKUYNNGSSA-N 273.464 4.816 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1c(F)cc(F)cc1F 2158320959 PQCNLTGZVKBSDY-BZNIZROVSA-N 285.353 4.747 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 2158692323 VZTNSWJPFXYSJP-ZFWWWQNUSA-N 283.337 4.631 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2CCCc3ccccc32)CCS1 2159722520 LVQZIQBHTUCUIR-UWWQBHOKSA-N 285.456 4.922 30 10 CJEE CC1(C)C[C@](C#N)(C2CCC(C(C)(C)C)CC2)CCO1 2161601323 ORQMYTCGPPKGGH-JTTJXQCZSA-N 277.452 4.938 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1nsc(CC)n1 2164494344 UNUHEUMTTJJYRG-CQSZACIVSA-N 297.512 4.892 30 10 CJEE N#Cc1c(Cl)cccc1NC[C@H]1CCCCCC1(F)F 2164921880 FSOPTBKCKSAHCX-LLVKDONJSA-N 298.764 4.839 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(C(F)(F)F)cn1 2167459813 JDLDDNATVAOTRM-AWEZNQCLSA-N 289.341 4.668 30 10 CJEE C=CC1(C[C@]2(N)CCCC[C@H]2c2ccccc2)CCC1 2168027024 AFMNAVXACAWFSL-PKOBYXMFSA-N 269.432 4.788 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(Cl)ccc2OC)CCC1 2168027836 HPUOSGMIHYKEBF-OAHLLOKOSA-N 293.838 4.746 30 10 CJEE C=CC1(C[C@@H](C[C@@H]2C[C@H]3CC[C@H]2C3)NCCC)CCC1 2168030871 KRIUTNHEHAKHMD-XLAORIBOSA-N 275.480 4.927 30 10 CJEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)cc2F)CCC1 2168030934 LGDTVBHBPMUQFC-ZDUSSCGKSA-N 287.300 4.591 30 10 CJEE SC[C@@H](CN1CCCC2(CCCCC2)CC1)C1CCC1 2171394406 JIDNAWZFBQTMPZ-QGZVFWFLSA-N 295.536 4.769 30 10 CJEE CCC1(C)CCC(Nc2ccc(C#N)c(F)c2F)CC1 2171473483 VMOAYZPXBXLCLH-UHFFFAOYSA-N 278.346 4.607 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C1(C)CCC1 2172454635 LOJXLGYRWINCIE-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CCc1c(F)cccc1F 2173654803 HMNYEBRAUAJZGR-QGZVFWFLSA-N 280.358 4.683 30 10 CJEE CC1(C)CC[C@H](C[C@@]2(C=O)CCCCC23CCC3)OC1 2173671706 AQXYETUNMVQSOR-CRAIPNDOSA-N 278.436 4.511 30 10 CJEE Cc1cc(C)c(C[C@@]2(C=O)CCCCC23CC3)c(C)c1 2173679765 MIVFSDGSNNJFSX-LJQANCHMSA-N 270.416 4.694 30 10 CJEE CCCCCCCCCCO[C@@H](CN)c1ccccc1 2176272575 FIBNOUGKPCGIKT-SFHVURJKSA-N 277.452 4.844 30 10 CJEE C=CCCCC[C@H](N)c1ccc(OC)c2ccccc12 2179682347 OSCSRADFOWMLAX-KRWDZBQOSA-N 269.388 4.595 30 10 CJEE CN(c1ccc(Cl)cc1C#N)C1CC2(C1)CC(C)(C)C2 2181517641 GZGIWNPFMLBRCL-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE C[C@H](C(=O)C1=CC[C@H](C(C)(C)C)CC1)[C@H]1CCCCO1 2181641413 DWWFUEINFPTYCR-CWRNSKLLSA-N 278.436 4.533 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@H]2OCCCC2(C)C)CC1 2181669448 SNEBQCBYZKDPQP-RHSMWYFYSA-N 278.436 4.533 30 10 CJEE N#Cc1cc(F)c(NCC[C@@H]2CCC[C@H]3C[C@@H]23)cc1Cl 2182442715 OBKOTZAAPAGKTM-GVXVVHGQSA-N 292.785 4.589 30 10 CJEE CCCCCS[C@H]1CC(C)(C)C[C@](C#N)(NCCC)C1 2183511937 CYMTWRXIQOUKQN-DOTOQJQBSA-N 296.524 4.750 30 10 CJEE CCCN[C@]1(C#N)C[C@H](SC(C)(C)C)CC2(CCC2)C1 2183533142 VGIUWHKRDCICFX-RHSMWYFYSA-N 294.508 4.503 30 10 CJEE C=CC1(C[C@@H](NCCC)C2(F)CC3(CCC3)C2)CCC1 2184397897 TULMGWZBSHGPOQ-OAHLLOKOSA-N 279.443 4.773 30 10 CJEE CC(C)C1CCC(Nc2cc(Cl)c(F)cc2C#N)CC1 2184457812 IXUNGDQQXIUDTR-UHFFFAOYSA-N 294.801 4.977 30 10 CJEE C=C(C)CN(c1ccccc1[C@H](CC)NCC)C(C)C 2186472097 HVSCGZVGMMRBOS-KRWDZBQOSA-N 274.452 4.538 30 10 CJEE CO[C@@H]1CC[C@@H]1CCC1(C=O)CC(C)(C)CC(C)(C)C1 2186884718 BAPQFYVALWJUJG-HUUCEWRRSA-N 280.452 4.613 30 10 CJEE CCCC1CC(Oc2ccc(C(F)(F)F)c(C#N)c2)C1 2188312615 DAOYPBXUSJSUAT-UHFFFAOYSA-N 283.293 4.535 30 10 CJEE N#C[C@]1(C[C@@]23CCCC[C@@H]2C3)CCOC12CCCCC2 2194500150 ORIPYBWFAIQMFW-IXDOHACOSA-N 273.420 4.590 30 10 CJEE C=C(CN(C)C1CC2(CCCCC2)C1)c1ccccc1 2195486318 BEHGRPXBYIXKFY-UHFFFAOYSA-N 269.432 4.745 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1[C@H]1CCOC1 2195536792 GYBCXDGMDDXASS-ROUUACIJSA-N 281.484 4.628 30 10 CJEE C#CC[C@@H](C)C[C@]1(CNCC(C)C)CCCC(C)(C)C1 2196855727 DSSPSGPYQXNKCL-IEBWSBKVSA-N 277.496 4.868 30 10 CJEE CC[C@H](C)[C@H]1CSC(=N[C@@H](C)C2CCC(C)(C)CC2)N1 2201222637 WCOVRWIBMOXKHC-KCQAQPDRSA-N 296.524 4.698 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@]12CC[C@@](CC)(C1)OC2 2201800721 JEPKPSQESIGKSB-SQNIBIBYSA-N 281.484 4.674 30 10 CJEE CCCC#CC[C@@H](NCCC)c1coc2ccccc12 2203786379 VQJLKEMZEMEXHH-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE CCCC#CC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 2203819954 ROSXCYQMBLLTKD-KZNAEPCWSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@]1(CNCC(C)C)C[C@H]2CC[C@H]1C2 2203826212 YXBODYHPJYMLRT-GBESFXJTSA-N 275.480 4.622 30 10 CJEE CCCCC#CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCC 2203833734 NWCIIYKFOGAWPK-OTWHNJEPSA-N 277.496 4.868 30 10 CJEE CCCCC#CC[C@H](NCC)c1ccccc1C1CC1 2203834312 QMZYIGQFHMCSKO-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCC#CC[C@H](NCC)C1CCC(SC)CC1 2203835284 VUBCIRFZJLSFOY-ABHNRTSZSA-N 295.536 4.860 30 10 CJEE CCCCCCC[C@@H](O)c1nnc(-c2ccccc2)s1 2204796048 CJLFTRCYXHYGBU-CQSZACIVSA-N 290.432 4.599 30 10 CJEE CC#CCC[C@H](NCC)c1ccc(-c2ccccc2)s1 2206159065 FETDRUANGSCTII-INIZCTEOSA-N 283.440 4.869 30 10 CJEE C=CCCCCCC[C@H](Cc1cccc(F)c1)NCC 2206894222 ICJFXPHPIIUYBF-GOSISDBHSA-N 277.427 4.873 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cc(C)n(C)n1 2207365041 LTCFFAIWRPEZNG-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)C1CC=CC1 2207374551 CEVBLVARDVUYFR-GOSISDBHSA-N 278.436 4.580 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)CCC1CC1 2207377479 NTGIXJDYWSOGPH-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CO[C@H](CC)C1 2207379566 QGOVXWUQFUVTCI-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1C[C@H](N)C1(C)C 2207406719 ZUQKABUJGOWSSE-RDJZCZTQSA-N 279.468 4.626 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CCCOC1(C)C 2207414354 ODAZWPHSJZQYQI-SJORKVTESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](NC)[C@@H](C)CC 2207426249 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269.791 4.794 30 10 CJEE N#Cc1cc(Cl)nc(SCCCCCC2CC2)c1 2220004640 DTLFGOIQTRVMHH-UHFFFAOYSA-N 280.824 4.669 30 10 CJEE C=CCCCCCCC[C@H]1CCC(F)(F)[C@@H]1NC 2220084149 JYNGMJUOYSROFN-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)[C@@H]1CC1(C)C 2220092709 MHRSAFYJQVBNNO-CVEARBPZSA-N 251.458 4.879 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1scnc1C 2222058349 UOFPMZFXIGGSLQ-OAHLLOKOSA-N 267.438 4.576 30 10 CJEE CCCCCCCC[C@H](C)NOC1CCCCC1 2223852598 HNWQNMPRSIZKLX-HNNXBMFYSA-N 255.446 4.979 30 10 CJEE C=CC1(CNc2cc(C)c(Cl)cn2)CCCCC1 2223901409 BCLRAZYTWVUUEA-UHFFFAOYSA-N 264.800 4.592 30 10 CJEE C=CCCCCCCCCN[C@@H]1CC[C@H]1C(F)(F)F 2224568530 FZKKTPZGQISSBY-ZIAGYGMSSA-N 277.374 4.834 30 10 CJEE C=CC[C@@H](CNC(C)C)CC1C[C@H]2CCC[C@H](C1)C2 2225339753 GDMRPIFIGNTVNX-YESZJQIVSA-N 263.469 4.783 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC(F)(F)C1 2225362037 WHZVYDIIBYJGCM-XGUBFFRZSA-N 270.363 4.597 30 10 CJEE CC1CC(C#N)(C[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)C1 2225369507 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CJEE C[C@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 88515117 FLCAXECEDUETHN-SMDDNHRTSA-N 296.336 4.958 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(C2CC2)cc1 94521333 MFSHRZNDQPFPNL-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE CCCOc1ccccc1OCC1(CS)CCCCC1 94583507 WDZDTUVHECCLGA-UHFFFAOYSA-N 294.460 4.735 30 10 CJEE Cc1cc(C)cc(CSC[C@@H](CS)C(C)C)c1 94721424 ONFSDOMQQABXNF-OAHLLOKOSA-N 268.491 4.739 30 10 CJEE CC(C)CN(c1ccc(C#N)cc1Cl)C1CCCC1 94848228 KFYKCGVNEOMDGK-UHFFFAOYSA-N 276.811 4.617 30 10 CJEE C=C(C)CCOCc1ccc([C@@H](C)CNC(C)(C)C)cc1 97811596 KZSGQMAFWOFZJQ-INIZCTEOSA-N 289.463 4.661 30 10 CJEE CCCCCCCCNc1ccc2[nH]c(C)nc2c1 102826842 GKNXCNQMLQMJCD-UHFFFAOYSA-N 259.397 4.644 30 10 CJEE CCCCCCCn1cc(CCCO)c2c(C)cccc21 107045611 FHMZJMFSPDKCNW-UHFFFAOYSA-N 287.447 4.845 30 10 CJEE CCOc1cc(C)c(Cl)c(C)c1[C@@H](C)CCS 107623150 CGTPAYBOCOBDSS-VIFPVBQESA-N 272.841 4.779 30 10 CJEE CC#C[C@H](C)Cc1c(C)c(Cl)cc(C)c1OCC 107650311 VAJCWYBWYOXTNN-NSHDSACASA-N 264.796 4.557 30 10 CJEE CCCCCCCO[C@H](C)[C@H](NC)c1ccc(C)cc1 110081474 TVCQZQRFWIUIGK-AEFFLSMTSA-N 277.452 4.631 30 10 CJEE CCC1CCN([C@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2C#N)CC1 110263786 SJCBQHATKFQLIX-SQNIBIBYSA-N 290.495 4.853 30 10 CJEE CCCCCCCCn1nc(C)c([C@H](C)NCCC)c1C 110267816 SPDIACVCVUGAQT-HNNXBMFYSA-N 293.499 4.921 30 10 CJEE CCCCCCCCCCn1cc(CNCC(C)C)cn1 110267863 KZKUVVMVMYOTLA-UHFFFAOYSA-N 293.499 4.769 30 10 CJEE CCCCCCC[C@@H](Nc1ccc(C)cc1)C(=O)OCC 110318682 FDOHWTGEZGOTAI-QGZVFWFLSA-N 291.435 4.699 30 10 CJEE C=CCN(CC=C)c1ccc([C@H](C)NCCC)cc1Cl 110357548 MNWOEZSBUJKZIH-AWEZNQCLSA-N 292.854 4.579 30 10 CJEE C=C(C)C(=O)O[C@H](CO)CCCCCCCCCCCC 111900210 DRSZLJIAYHKAOM-KRWDZBQOSA-N 298.467 4.778 30 10 CJEE CCCCCCCCCC[C@@H](CCCOC)NCC 114842208 OMWNHEMFZLRETP-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCC(CC)(CO)CO 118666248 QHJOWFAZZKHYAZ-UHFFFAOYSA-N 272.473 4.678 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(C)c(F)cc1F 122415954 HYNWXLZXKZKVAO-MRXNPFEDSA-N 284.394 4.528 30 10 CJEE CC#CCC[C@H](CCCCCCCCCCC)NN 124782153 XWRHVWNMZAEBSG-QGZVFWFLSA-N 266.473 4.543 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccccc1 125542376 DHLQDZRHLVWBJA-QGZVFWFLSA-N 262.441 4.722 30 10 CJEE CCCCCCCCNc1ccc(Br)cn1 126916074 OOLAZZGVDJQFAW-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE CCCCCCC[C@@H](CNC1CC1)C1CCCC1 128286397 NTZLRTLVHGKXNY-INIZCTEOSA-N 251.458 4.905 30 10 CJEE CSc1cccc(N[C@@H]2CCCc3ccccc32)c1C#N 130544133 XWPIQTOHFLTURR-MRXNPFEDSA-N 294.423 4.770 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)ccc1Br 132029705 VZRQUMSGUVWNBC-VIFPVBQESA-N 288.616 4.869 30 10 CJEE CCSc1cccc(Nc2cccc(F)c2F)c1C#N 136631120 QMCKPXPNNVKFIW-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1cc(Cl)ccc1Cl 158824375 PRSGXAYJBARGGM-HNNXBMFYSA-N 286.246 4.726 30 10 CJEE CCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1C 162065372 CBVZGGBZOJCXLQ-HIFRSBDPSA-N 288.522 4.933 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CCc2ccccc2C1 164632768 HFYGLDYARDXALY-RTBURBONSA-N 271.448 4.516 30 10 CJEE C=C(C)CC[C@H](NCC)c1cccc(C(F)(F)F)c1F 164697269 NEUMUISXYKQRBH-ZDUSSCGKSA-N 289.316 4.851 30 10 CJEE CC#CCC[C@@H](CSc1ccc(Cl)cc1)NCCC 168176952 VUZYXDYANXPFFK-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CCCc1nc2ccccc2n1C[C@@H](CS)C(C)(C)C 168936012 CKMIMXMPWRFJCF-ZDUSSCGKSA-N 290.476 4.581 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@@H](C)[C@H](C)C2 216977522 GKGAIUQLKLHGNJ-ZIAGYGMSSA-N 262.441 4.684 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccs2)C1 222265663 GVSPLSIULUKKDQ-UTUOFQBUSA-N 251.420 4.559 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)NC1CCCCCC1 222556906 PTEPYQHVVHIEBK-NXHRZFHOSA-N 276.468 4.653 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CCC[C@@H]1C 226908763 NGTLYXQTOMUEAN-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@H](NC)C1[C@@H]2CCCC[C@@H]12 229028780 MLKJIFDLLXSBPK-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE C=CCSCCN[C@@H](CCC)c1ccc(Cl)cc1 231930949 CMXANBMWPNXYJN-HNNXBMFYSA-N 283.868 4.690 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)CC(F)(F)F 232930738 VXNNSUMSMYUQGB-NEPJUHHUSA-N 253.352 4.666 30 10 CJEE C=CCCCCCC(=O)C1(OCC)CCC(C)CC1 233733865 FXQRDIQSYLYPIO-UHFFFAOYSA-N 266.425 4.677 30 10 CJEE N#Cc1ccnc(Nc2c(Cl)cccc2Cl)c1Cl 236041500 JSWDMKAOSOHCRE-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCCCCCC(=O)Cc1cccc(C(F)(F)F)c1 236150883 NNSNIBHFBFADQO-UHFFFAOYSA-N 284.321 4.954 30 10 CJEE CCC(=NO)c1ccccc1O[C@@H]1CCC[C@@H](CC)C1 252464296 VXMRCHPBYVWZOS-ZIAGYGMSSA-N 275.392 4.623 30 10 CJEE C#CCCC[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 253042241 MASOTVMHZFPKHR-HOJAQTOUSA-N 285.475 4.988 30 10 CJEE CC[C@@H](C#N)c1nc(-c2ccc(Cl)s2)cs1 259317106 RGXOPMQXSNMNRZ-ZETCQYMHSA-N 268.794 4.542 30 10 CJEE C[C@@H](C#N)c1csc2c(C(F)(F)F)cccc12 259951970 GWWVGBXUTOOOTH-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC[C@H]2CCCO2)C1 300186725 ZPJBQANVNQZLRM-FPCVCCKLSA-N 295.492 4.643 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H]1CCCC(F)(F)C1 305908296 CNUBKBXFZHYLOM-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCNc1ccc(C#N)c(Cl)c1 310623207 HYVOJLGJBWENHA-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnc(OC)s1 311523939 DMFFJVONSKBIOP-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccnn1C(C)C 312237213 NXDFITMJDURNCQ-INIZCTEOSA-N 279.472 4.865 30 10 CJEE CCc1ccc(CC2(C=O)CCC(C(C)C)CC2)s1 317224512 LNORJASLWIUJRJ-UHFFFAOYSA-N 278.461 4.885 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCCCC1CCOCC1 384887438 SMJQMHKYWPKKSX-DOTOQJQBSA-N 263.425 4.693 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](C)CCOC 386199695 FMDLVAWSXLMKOD-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(Br)cc1C 398095975 ACMJKQBLQXLQDT-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE C=CCCC[C@H](C)N[C@@H](c1ccc(C)cc1)C1CC1 398161222 IBZLPESLXRVKOO-YJBOKZPZSA-N 257.421 4.781 30 10 CJEE C=CCCCCC[C@@H](N)c1csc2c1CCCC2 399849894 JZNZWWFUDUPHBQ-OAHLLOKOSA-N 263.450 4.763 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1ccc(Cl)c(C#N)c1 401422179 UNZCECOPIVCIQX-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H](C)CC(F)(F)F 402867314 IPBBIFYGSMCQBG-WCQYABFASA-N 265.363 4.545 30 10 CJEE C=CCCC[C@H](NCC(C)C)[C@H](C)c1ccccc1 405660727 UGYNNHVYOWGYGI-AEFFLSMTSA-N 259.437 4.761 30 10 CJEE CC1(C)CC[C@H](NCC2CCC(C#N)CC2)c2ccccc21 442869882 QBNLAMXPCIJZQQ-RJYAGPCLSA-N 296.458 4.719 30 10 CJEE CCCCCCCC[C@]1(CNCC)C[C@@H](C)O[C@@H]1C 686458859 HYRSCGVZNFXITA-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE Cc1cc(Br)c(C)c(OCCCCCC#N)c1 686549471 LJZPKXCLHRHKTP-UHFFFAOYSA-N 296.208 4.529 30 10 CJEE C#CCCCCCC1(CNC(C)C)CCCCCC1 686708614 KZHLBJPFBJEUNK-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE C=C[C@@H](C)C1(CNC2CC2)CC(C)(C)CC(C)(C)C1 688010510 VAXADIONNKQDNH-CQSZACIVSA-N 263.469 4.783 30 10 CJEE CC[C@@H](CC(F)F)C[C@@]1(C=O)CCCc2ccccc21 688768884 XGFQFSKBZNOVOM-SUMWQHHRSA-N 280.358 4.531 30 10 CJEE CCc1ccc(CC)c(N[C@H]2CCCCC[C@@H]2C#N)c1 689530071 WFSNUDPDCRVHFC-SJORKVTESA-N 270.420 4.696 30 10 CJEE CCOc1cc(NCCCCC(C)(C)C#N)ccc1C 689647105 FPICLXKPPXUXTP-UHFFFAOYSA-N 274.408 4.526 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccc(SC(F)F)cc1 690179776 DCCZWPREDUSPPO-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE Cc1cc(NCc2cc(F)cc(C#N)c2)cc(C)c1Cl 690304548 MIBLXHIFFUYLAG-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2c(F)cccc21 692191498 RBGSIMPIJWNTBG-AAEUAGOBSA-N 290.407 4.772 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2cccc(F)c21 692191544 RMIMTDXLIWUKQN-RISCZKNCSA-N 290.407 4.772 30 10 CJEE CCCCCCCCCC[C@H](O)CCCCCCN 697372669 SPBDYZKLUIHEOG-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE CCCCCCCCCC[C@H](O)c1nc(C)c(C)[nH]1 700056094 JOLNJZDROXRKNB-HNNXBMFYSA-N 266.429 4.591 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1CCCN1C 700197459 YIDBDFHBRPBAMM-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCCCN(C)C1(C#N)CC1 703259210 MGAHIBZVGYTAIW-UHFFFAOYSA-N 264.457 4.895 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)C)CCC[C@H](CC)C1 710620477 IKRAOUOUIVAEON-LSDHHAIUSA-N 257.849 4.714 30 10 CJEE C=C(Cl)Cc1cc(CC)cc(C(C)(C)C)c1O 710684725 KDAFKHMZHGOQMP-UHFFFAOYSA-N 252.785 4.547 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@@H]2CCCC[C@@H]21 712521218 ACUYCXXIVVBOQY-QAETUUGQSA-N 251.458 4.904 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(C)c1C 715707468 XLBKEEGHXUEGGZ-XHDPSFHLSA-N 251.439 4.618 30 10 CJEE C=CC[C@@H](C)[C@@H](CCc1ccccc1C)NCCC 715793629 IBDCZTPXPZASSW-SJLPKXTDSA-N 259.437 4.508 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@@H](SCC(C)(C)C(C)C)C1 718870605 SSUZFWJYWLJROI-WBVHZDCISA-N 296.524 4.606 30 10 CJEE C=C[C@H](C)n1ccc2c(OCc3ccccc3)cccc21 720927429 DEPBORLXZNMUNT-HNNXBMFYSA-N 277.367 4.967 30 10 CJEE CC[C@@](C)(C#N)CCc1cc(Cl)cc(Cl)c1 722119568 KSULAHNNRQFWDM-CYBMUJFWSA-N 256.176 4.866 30 10 CJEE C=C1CCC(C[C@H](NC)C(C2CCC2)C2CCC2)CC1 724567694 LKOCZOFZQGCNFD-SFHVURJKSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](NC)C2CCC(F)(F)CC2)CC1 724618720 STNUNQVYSAXJAM-OAHLLOKOSA-N 271.395 4.536 30 10 CJEE C=C[C@H](CC(=O)N(C1CC1)[C@H](C)[C@H](C)CC)c1ccccc1 1125945860 KBYAKFIAPPMFBA-BRWVUGGUSA-N 299.458 4.772 30 10 CJEE C=CC(C)(C)C(=O)N(Cc1cccc(Cl)c1)CC(C)C 1131421355 YFQNCVWSWYKTSF-UHFFFAOYSA-N 293.838 4.537 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 1134216486 IUBLLXFIZMYWNG-NLWGTHIKSA-N 299.458 4.821 30 10 CJEE C=CCCC[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1 1197377798 QXCKGQLTFMLAGH-FYQPLNBISA-N 299.458 4.631 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccccc1-c1ccccc1 1214484658 HEVWBFGWLCVPMS-UHFFFAOYSA-N 294.398 4.687 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@H](CC)CCCCCC 1270902989 FAMSEAKJPQJAJW-HZPDHXFCSA-N 265.441 4.550 30 10 CJEE C=C[C@@H](CC)CC(=O)N1c2ccccc2CC[C@H]1CCC 1356086582 HVMDTYLXGMDLHH-DOTOQJQBSA-N 285.431 4.737 30 10 CJEE C=CCC1(C(=O)NC2CCC(CCCC)CC2)CCCC1 1358491449 KQODBBVMIKYMQO-UHFFFAOYSA-N 291.479 4.988 30 10 CJEE C=CCCCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 1459444531 KZFKIVPJTDWZFN-NSHDSACASA-N 272.219 4.952 30 10 CJEE C#CCCCCCCN(C)[C@H](CC)Cc1ccc(C)cc1 1459652687 NKUHCPRERMDDBN-HXUWFJFHSA-N 285.475 4.832 30 10 CJEE C#C[C@H](C)NCc1ccccc1Oc1cc(Cl)ccc1C 1462223600 WBNRRBAPBOZZAO-AWEZNQCLSA-N 299.801 4.552 30 10 CJEE C=CC[C@H]1CCCN(c2nc3c(C)cc(C)cc3s2)C1 1472827354 POACWWLNSNHEJO-AWEZNQCLSA-N 286.444 4.706 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)CCc1cncc2ccccc12 1474481025 VAJKIRSJGATVRT-CRAIPNDOSA-N 282.431 4.500 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1CCC1(C)C)c1ccccc1 1536600379 XCDJTDLDVXRRNE-DLBZAZTESA-N 285.431 4.636 30 10 CJEE C=CCCCN(CC)C(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C 1537364452 QDEMINDYDSZPKU-IIQDMIMZSA-N 291.479 4.820 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCC[C@H]2CC)c1 1537414329 KJTQBZIQXSUELS-PBHICJAKSA-N 271.404 4.875 30 10 CJEE C#CCCCCC(=O)N[C@@H](CC)c1cccc2ccccc12 1538138137 LIORTWLURZVQNJ-IBGZPJMESA-N 293.410 4.601 30 10 CJEE C=CCCCCCN(C)C(=O)CC(C)(C)CC(F)(F)F 1538733379 NSNFHYKOHGJOSX-UHFFFAOYSA-N 293.373 4.560 30 10 CJEE C=CCC1(NC(=O)CCCCCCSC)CCCCC1 1544863255 UHPIATGUTVSTRS-UHFFFAOYSA-N 297.508 4.695 30 10 CJEE C=CCCCCNc1cnc2cc(Cl)c(Cl)cc2n1 1559173489 RBQIOBFKSSAQCA-UHFFFAOYSA-N 296.201 4.705 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC[C@@H]1CCCC1(F)F 1559993962 OGQLVQFJEJWFSK-QLFBSQMISA-N 271.395 4.536 30 10 CJEE C=CCCCCSc1nccn1-c1cccc(Cl)c1 1613426560 OEJJCIWJAAJMGK-UHFFFAOYSA-N 292.835 4.974 30 10 CJEE C=CCCC(C)(C)NC(=O)c1coc2cc(C)c(C)cc12 1618638287 SRPGFBGDPKEOFH-UHFFFAOYSA-N 285.387 4.524 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CCc2ccccc2CC1 1621004029 GOMYZWXGTHRQDH-QUCCMNQESA-N 283.459 4.659 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)CCc1cncc2ccccc12 1621454721 NZGVMQGSMUNULY-INIZCTEOSA-N 296.458 4.748 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccc(Cl)cc1C(C)C 1626390519 NPNMNNDFGMWHLV-UHFFFAOYSA-N 294.826 4.797 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@](C)(c2ccccc2)CC1 1640471498 VNHSAPNWKRYLMM-XLIONFOSSA-N 299.458 4.559 30 10 CJEE C=CCCNC(CC)(CC)c1ccc(Cl)cc1 1642024906 HXZCSXOYKQTATD-UHFFFAOYSA-N 251.801 4.521 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)C[C@@H]2C[C@H]2CC)c1 1642247535 WNIJBDBRHNHLOL-UXHICEINSA-N 289.422 4.721 30 10 CJEE Cc1cc(C#N)ccc1CSC[C@H](C)c1ccccc1 1643904602 DAZSGYOLTWTRNC-HNNXBMFYSA-N 281.424 4.904 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cc(C)ccc1C 1645493344 NSLKWUFRVRHEEF-UHFFFAOYSA-N 279.427 4.882 30 10 CJEE C#CCN(Cc1ccc(C(C)(C)CC)cc1)C(C)(C)C 1648369961 NKZQZDJBPXADCC-UHFFFAOYSA-N 271.448 4.608 30 10 CJEE C=CCOc1cccc(CNc2cc(F)cc(Cl)c2)c1 1656781674 UMEFDFITIJMGCF-UHFFFAOYSA-N 291.753 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CO[C@@H](CC(C)(C)C)C[C@@]1(C#N)CCCCC1(C)C 2271626907 UQVNFAYGOGKATN-WMLDXEAASA-N 265.441 4.938 30 10 CJEE C=CCCCCCCCSc1cc(C)nc(CO)c1 2272732116 FXJFOMWXYVKKTG-UHFFFAOYSA-N 279.449 4.501 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@]23CCC[C@H]2CC3)CC1 2273357087 CYNITIOIGLMNJU-RVKKMQEKSA-N 260.421 4.908 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](N)(C#CC2CCCC2)CC1 2273991478 FAGRIHSEAOYYGS-AEFFLSMTSA-N 261.453 4.504 30 10 CJEE CCCCC1CCC(C(=O)C#CC2CCCC2)CC1 2274045029 MLGWLBIOTXPQPT-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CN[C@@H](CC#CC1CCCC1)CC1CCCCCC1 2274124102 YCBVIOYODIPOPN-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CC1(C)CCC(C)([C@@H](N)CC#CC2CCCC2)CC1 2274181925 UJQHCPHNMCETJY-INIZCTEOSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)C(CC)CC 2274998890 OFIWORLIEKDSGQ-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C(CC)CC 2275620641 HORPWYBRZHXTLD-HNNXBMFYSA-N 272.429 4.643 30 10 CJEE CC#CCCCC[C@@H](N)c1sc(C(F)(F)F)cc1C 2277666121 APCFTTVVFDZNKR-LLVKDONJSA-N 289.366 4.659 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ncc(C)o1 2278236330 FZRRQZWDBVNQAH-AWEZNQCLSA-N 266.429 4.602 30 10 CJEE CCCCCCS[C@@H]1CCC[C@](C#N)(NCCC)C1 2278260801 MRGOTVFRNGBXQT-CVEARBPZSA-N 282.497 4.504 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@@](C)(C#N)NCC 2278320414 DCJKXFJVNZGIRB-CVEARBPZSA-N 284.513 4.608 30 10 CJEE C=CCOc1ccccc1C(=O)CCCC[C@@H]1C[C@@H]1C 2280439019 JMUGVHGVKVYGBV-LSDHHAIUSA-N 272.388 4.651 30 10 CJEE Cc1cc(N[C@H](C)CCCC(F)(F)F)cc(C)c1C#N 2280566571 DMCYCFVSDYVJKB-GFCCVEGCSA-N 284.325 4.708 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](N)CC=CC#CC(C)(C)C)CC1 2284159777 BWENIZPGOVHHLN-KZNAEPCWSA-N 275.480 4.916 30 10 CJEE C=CCCC[C@H](Cc1cc(OC)ccc1Cl)NCCC 2284353780 KPYWVLOJRSHVLA-OAHLLOKOSA-N 295.854 4.616 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@](O)(CC)CCCCC 2287392642 PUSLOCDSTYGXQY-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 2287470599 SCDAACPXFLWBMI-OAHLLOKOSA-N 286.337 4.745 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1ccccc1C 2289717156 HTVWLODXHKWWQA-IBGZPJMESA-N 269.432 4.619 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H](CC)CC(F)(F)F 2289873551 FBULNYIQEDKSFK-LSDHHAIUSA-N 289.385 4.527 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CC(C)(C)CCC1(C)C 2290274553 YLKIYAQCRGDOQH-INIZCTEOSA-N 270.420 4.884 30 10 CJEE C=CC[C@@H](C)[C@H](CCCCCCCC)OCCC(=O)O 2290696900 CDOPVYZAXADZOY-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)c1sccc1C 2291751312 FWEFGZJCTOKAPO-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE C=CCCCCCCC[C@@](C)(CCC(F)F)OCCN 2292653384 RDGOJSMTGQNUHF-INIZCTEOSA-N 291.426 4.682 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1cscc1F 2292653497 SECQOPVGEJEWQE-MRXNPFEDSA-N 299.455 4.820 30 10 CJEE C=C(CC)C[C@@](C)(OCCCN)C1CCC(CC)CC1 2293063715 RYSYRITXJWOEJB-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1csc(C)n1 2293437793 SMURWMKXJZMVOQ-INIZCTEOSA-N 298.496 4.609 30 10 CJEE C=CC[C@@H](C)[C@@H](OCCCN)c1ccc(C(C)(C)C)s1 2293751768 UDBCCULYCDGSMA-CZUORRHYSA-N 295.492 4.664 30 10 CJEE C=CCCCCC[C@H](OCCN)c1c(F)cccc1Cl 2293839121 FFYLTFKUSLILRW-HNNXBMFYSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(F)c(F)cc1OC 2294848978 HUHQDFONOCGIFX-MRXNPFEDSA-N 286.362 4.541 30 10 CJEE O=C(C#Cc1ccccc1Cl)[C@H]1CCCCC12CCC2 2295148855 BWCYKEMCQRUSBL-OAHLLOKOSA-N 286.802 4.621 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(C)CCC[C@@H]1O 2295689403 PRQYTGZJSVRIOV-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(OCF)c1 2295935866 NCKBRACVEBYXAJ-QGZVFWFLSA-N 281.415 4.917 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccccc1Br 2304057456 DFMKWCDMCPKPBW-GJZGRUSLSA-N 296.252 4.702 30 10 CJEE C=CCCCCCCC[C@@H](O)C[C@@H]1CC[C@@H]2C[C@H]12 2312409927 HNYBSFNOCPQFOM-YLFCFFPRSA-N 250.426 4.700 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1ccc(C(C)C)cc1 2313527992 YTLFHUQZSUZPRK-XJKSGUPXSA-N 263.450 4.508 30 10 CJEE C=CCC[C@@](C)(N)CCCc1cc(Cl)cc(Cl)c1 2318637407 PHJAGZFHHDUPRS-OAHLLOKOSA-N 286.246 5.000 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(C)c(Cl)cc1F 2319295636 HQEJEEQPKTWKPN-OAHLLOKOSA-N 269.791 4.794 30 10 CJEE C=CCCS[C@](C)(CCCCCCCC)C(=O)O 2327023068 YIBQMUIGTRHKIG-OAHLLOKOSA-N 272.454 4.890 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CCCC(F)(F)C1 2327111571 CGBWCRJUOGMLSW-DGCLKSJQSA-N 280.424 4.563 30 10 CJEE CSc1cc(NCc2csc(Cl)c2)ccc1C#N 2328519879 YHYQYCTWCKJRAP-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2CCC[C@H]2C(C)C)C1 2331378906 FKXSULSDVVXUST-RCCFBDPRSA-N 263.469 4.783 30 10 CJEE CCC=CC[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O 2333311001 PMTMAFAPLCGXGK-HOTGVXAUSA-N 292.419 4.529 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2333706668 TULAXCKIGIOTPS-YJNKXOJESA-N 271.395 4.522 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 2333961179 ZCHZGEWMESTDDY-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE O=C[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCCC(F)(F)C1 2334789584 YBTKRXAWMMNHGA-KFWWJZLASA-N 270.363 4.742 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(Cl)c(F)c1F 2335100591 LFIDTKCNYSCSMG-JTQLQIEISA-N 285.765 4.790 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@@H](NC)c1ccc(CC)cc1 2335205491 CWGMEVXJARXCAP-JJRVBVJISA-N 277.477 4.596 30 10 CJEE CCC#CC[C@@H](NCCC)c1c(F)ccc(C)c1Cl 2335567095 SDMZOKORRFUUJK-CQSZACIVSA-N 281.802 4.632 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC1C[C@H]2CCC[C@H](C1)C2 2337156568 ZWSHPYXFGMZIDN-UOVPBQLFSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC 2338740431 FNEPTXNRHJXYCH-ZJPYXAASSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](C)c1ccccc1 2338741503 NYWDWXIPUQGXFM-YJBOKZPZSA-N 257.421 4.537 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(Cl)c(OC)cc1Cl 2338862956 CWZJMMCQEGEKDZ-UHFFFAOYSA-N 299.197 4.953 30 10 CJEE Cc1c([C@@H](O)CC#CC2CCCC2)ccc(Cl)c1Cl 2339053942 HWFSJCWDARQHQH-HNNXBMFYSA-N 297.225 4.919 30 10 CJEE C=C(C)CCCCN[C@@H]1CCc2ccc(C)c(C)c21 2339620802 GIQZYERIZOEHMW-QGZVFWFLSA-N 257.421 4.627 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@@H]1C1CCCCCC1)NCC 2341927251 UQMZWGSMKBCCKU-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=C1CC(CC[C@@H]2CC[C@@H]2C2CC2)(CNC(C)C)C1 2342553640 DZFCVZXEMLFZQX-DLBZAZTESA-N 261.453 4.537 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc2ccccc2c1F 2344421708 SUKYOYXHLOVJAL-UHFFFAOYSA-N 256.320 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(C(F)F)c1F 2344463833 GYDZNUONEGYJMS-UKRRQHHQSA-N 272.310 4.789 30 10 CJEE C=C[C@](N)(c1ccccc1)c1cc(F)c(Cl)c(Cl)c1 2352533570 ONDKFOUIJKCEQH-HNNXBMFYSA-N 296.172 4.521 30 10 CJEE C#CCCCCCCCOc1cc(C)c(Cl)cc1N 2353123352 HXCVEPRAVCDUJD-UHFFFAOYSA-N 279.811 4.583 30 10 CJEE CCCCCCCC1(F)CCC([C@@H]2CCNC2)CC1 2353214412 SJTPBYURAXTJJZ-AQFXKWCLSA-N 269.448 4.855 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccnc(C(C)C)c1 2353635708 FBHCBLCFXSEJBI-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE CCCC[C@@H](CC)COc1ccc(C#N)c(SC)c1 2353824284 KQJFSQBPXVTULO-CYBMUJFWSA-N 277.433 4.875 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@H](N)CC)cc1C 2360208350 NSAGYLKJWZRFAK-MRXNPFEDSA-N 289.488 4.888 30 10 CJEE C=CC[C@H](C)Sc1cc(NCCC)nc(C(C)(C)C)n1 2360208582 QOSGCQGODCAVOO-LBPRGKRZSA-N 293.480 4.653 30 10 CJEE C=CCC(CC=C)N[C@@H]1CCCC[C@@H]1c1ccccc1 2360344070 RAVYDUZMPCAINZ-RTBURBONSA-N 269.432 4.823 30 10 CJEE C=CCC(CC=C)Sc1ncccc1[C@H](C)NCCC 2360368881 RDQRMVNGKZTAHN-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE Cc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14458308 PYGSQIYNWCXQEZ-ABSDTBQOSA-N 286.378 4.693 30 10 CJEE N#CCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 20018292 ROWOIRWTORGABL-UHFFFAOYSA-N 292.165 4.638 30 10 CJEE CC[C@H](C)CN(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37173109 YZZBKYXCBGHFCK-YLFCFFPRSA-N 278.484 4.709 30 10 CJEE C[C@](C#N)(CCc1ccccc1)Nc1cccc(Cl)c1 37937313 KAOVRKCALRSUGP-QGZVFWFLSA-N 284.790 4.667 30 10 CJEE N#Cc1ccc(N[C@@H](c2cccs2)C2CC2)cc1Cl 42329425 PIHUFCMDIDCWCU-OAHLLOKOSA-N 288.803 4.836 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccc(Cl)s2)C1 48972015 NPMNEEQKZVEDGZ-YRGRVCCFSA-N 296.867 4.552 30 10 CJEE C=CCc1cc(C=O)cc(Cl)c1OCCCCCC 66117690 ZIEGIYBVCZQSHI-UHFFFAOYSA-N 280.795 4.840 30 10 CJEE N#Cc1c(Cl)cccc1Sc1ccc2c(c1)CCC2 70138474 ZEBCKGWZFDQEGT-UHFFFAOYSA-N 285.799 4.852 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCO[C@@](C)(CC)C1 70357451 DHUOHKRGHAORKL-PBHICJAKSA-N 291.460 4.724 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 71132180 BFDAEMCTCCRFLM-BXUZGUMPSA-N 263.768 4.559 30 10 CJEE CC(C)CCn1c(CCS)nc2cc(C(C)C)ccc21 74297406 FDEDNJMJXSDCTI-UHFFFAOYSA-N 290.476 4.678 30 10 CJEE Cc1cc(Cl)cc2c(CS)cc(C(C)(C)C)nc12 82468531 SPRNRIKRSABQFG-UHFFFAOYSA-N 279.836 4.924 30 10 CJEE N#CC1([C@H](O)c2cccc(Cl)c2Cl)CCCCC1 91881579 AECHFIHWEIUDHH-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE Cc1ccc(Cl)c(Nc2snc(C)c2C#N)c1Cl 92912173 RHIAEKYVBJAAMS-UHFFFAOYSA-N 298.198 4.682 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(Cl)cc1C#N 94326297 BFCJEGIDQNQSNZ-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE CCC[C@@H](CS)COc1cc(C)c(Cl)c(C)c1 94584454 CUUGLJSVWKXWBJ-GFCCVEGCSA-N 272.841 4.682 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccnc2ccccc12 97284045 UATSYFAFIIPKBS-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=C(CC)C[C@H](Cc1cccc2ccccc12)NCC 97284183 GCSDQEKLAZSBBE-GOSISDBHSA-N 267.416 4.717 30 10 CJEE SCCCCCCCCCOCC1CCCC1 97799846 JPXDCJQVFBEYDK-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE Cc1c(Cl)cccc1Nc1cccc(Cl)c1C#N 103997080 RWGFFZJWEHFKDZ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCC1CCC(Nc2cc(C)ccc2C#N)CC1 110256150 DOGWTCZNSHZDCX-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCCCN(CC)[C@@H]1CCCNC1 110942690 CDNMJQFNJYLCOS-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCCCCCC[N+](C)(C)[C@@H]1C[C@@H](C(C)C)CC[C@@]1(C)O 111351786 DIJKBRDXKVVKLG-IPMKNSEASA-N 298.535 4.609 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NCC1(C)C 114062163 LZRHRASWNOISBL-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)N[C@@H]1c1ccccc1 116764879 LGVBZJHXPKPUNB-QZTJIDSGSA-N 273.420 4.614 30 10 CJEE CCCCCCCCCC[C@@H](CCc1ccco1)NN 122644156 IDCPZNZTKHCFRT-INIZCTEOSA-N 280.456 4.575 30 10 CJEE C#CC[C@@H](C)N[C@H](c1cccs1)c1ccc(Cl)s1 129856098 UAYWNQWTLSRQRZ-QMTHXVAHSA-N 295.860 4.554 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc2c1OCCC2 131133643 WJQZCFDWRBGWMR-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCC[C@](C)(O)C1(C#N)CCC(C(C)C)CC1 132952589 UYTVRKUCEGJWQY-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE CCCCCCCC(=O)CCOc1cccc(C)c1 135415906 INKLGIFJSMREOG-UHFFFAOYSA-N 262.393 4.694 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(CC)nn1CC 139396379 QFGYXALIPQASGE-QGZVFWFLSA-N 293.499 4.867 30 10 CJEE CCCCCCCC[C@H](COC(C)(C)C)NCCC 140404283 JWRNOMLCVLHFEL-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@@H]1CC(C)(C)CC[C@@H]1C(=O)O 149583819 PDMQLYJMILDDDQ-KGLIPLIRSA-N 254.414 4.874 30 10 CJEE O=C(C1=CCCCCC1)c1ccc2ccccc2c1 203375795 WOTJAOFWSPEBLL-UHFFFAOYSA-N 250.341 4.913 30 10 CJEE C=CCCC[C@H]1C[C@@H](C)CC[C@@H]1CNCC(C)C 219196643 GGQBSRFRYOIKEF-YESZJQIVSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)C1CCCCC1 219677046 GATZAIJDLNBKPP-GOSISDBHSA-N 282.516 4.719 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc(Cl)c2cccnc12 227861916 KWDOCQKVARUJEH-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NCC)c2ccc(F)cc2O1 229339176 JQRZHUGDWLFHAG-NVXWUHKLSA-N 293.426 4.988 30 10 CJEE CSc1ccccc1Nc1ccc(Cl)cc1C#N 232274693 JFQOPDAQMLSYML-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE C=CCCC[C@H](NC)c1cc(Cl)sc1Cl 234417839 XKTOLUFAHRGXEO-VIFPVBQESA-N 264.221 4.672 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)s1 234439283 FSDTXXCSIMCMNX-NSHDSACASA-N 257.830 4.799 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H](C)Oc1cccc(Cl)c1 235250109 KPWJHNAIUXVJIR-CZUORRHYSA-N 282.811 4.605 30 10 CJEE C=CCCCCCNc1ccc(C(F)(F)F)cc1C#N 236148717 PNTGAKGSQPMETA-UHFFFAOYSA-N 282.309 4.735 30 10 CJEE C=CCCCCC[C@H](O)c1c(F)cccc1Cl 236537132 FIXFKXKFZLFMIF-ZDUSSCGKSA-N 256.748 4.649 30 10 CJEE C[C@H](CCS)CCN(C)[C@H](C)c1ccc(Cl)cc1 251162315 CHHURPKHQAISHG-QWHCGFSZSA-N 285.884 4.679 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC 253309881 TWCKVAPSBJQRBX-BBWFWOEESA-N 251.458 4.785 30 10 CJEE N#CC1(c2ccccc2C2CCSCC2)CCCC1 260293603 CDMUYRPMSKMLDW-UHFFFAOYSA-N 271.429 4.633 30 10 CJEE N#CC[C@@H](c1ccc(SCC2CC2)cc1)C1CC1 260821369 IWIUFYRITZBOKF-MRXNPFEDSA-N 257.402 4.596 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCC(F)(F)C1 310394294 YIZPWSIHUBFHPE-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCOc1ccc(CNc2cccc(C)c2Cl)cc1 312744455 JWSXENCRHAJOIP-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C)CC2)c(Cl)c1 317165418 HRQSIWNEPQCPHF-UHFFFAOYSA-N 264.796 4.586 30 10 CJEE CCC1CCC(C=O)(CCCC(F)(F)F)CC1 317610259 RXMKJQGXHMCNAU-UHFFFAOYSA-N 250.304 4.505 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CCC[C@H](C)C1 318489415 COHHRNBFHMGSAA-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE SCC1(CSc2ccc(Cl)cc2Cl)CC1 322610558 KSDBVSFJUZZFHN-UHFFFAOYSA-N 279.257 4.796 30 10 CJEE CCN(CCCCCCCCCS)[C@@H](C)C1CC1 324682785 PRPBOCAKTMALGU-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CCCCCCCCCCCCNC[C@H](OC)C1CC1 381109190 IRKKTYWNXQYADS-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C[C@@](C#N)(Nc1ccc(Cl)cc1)[C@@H]1CC2CCC1CC2 381789173 AUEIJOPTYOJRFI-YCUKKYJWSA-N 288.822 4.860 30 10 CJEE C=CCSC[C@H](NC)c1ccc(-c2ccccc2)cc1 383303666 DCBOILRQRVCASF-SFHVURJKSA-N 283.440 4.533 30 10 CJEE CC(C)c1nsc(C2(C#N)CCC(C(C)(C)C)CC2)n1 383674353 UUOIZENFYCENOH-UHFFFAOYSA-N 291.464 4.659 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CCCCC1(F)F 384818931 DTFDHEMQSCLKQA-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@]1(O)CCCC[C@@H]1C(C)(C)C 385252480 XESYLEBFELMOQJ-JOCBIADPSA-N 277.452 4.674 30 10 CJEE C[C@H](COCC1(CS)CCCCCC1)C1CCC1 398425904 IFVOKKADJXEZOS-CQSZACIVSA-N 270.482 4.710 30 10 CJEE C=CCC(C)(C)CO[C@@H](CC)[C@H](CCC)NCCC 404049423 HXDKRIDPOMUYCQ-HOTGVXAUSA-N 269.473 4.552 30 10 CJEE CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512666983 NDVFXOQILRYHGJ-LIRRHRJNSA-N 296.389 4.889 30 10 CJEE C=C(C)C[C@H](N)c1ccc2c(c1)c1ccccc1n2CC 575244993 LJMPGWZCVFHXDM-KRWDZBQOSA-N 278.399 4.780 30 10 CJEE Cc1cc(OC(F)F)cc(C(F)(F)F)c1C(F)F 575664769 MCWQSBFBHWADTP-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE Clc1cccc(Cl)c1C=Nc1ccccc1 606522418 RSMDSQMJKAEWPT-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1c(C)cccc1C 617179014 WSCUCZYTWFBZES-DLBZAZTESA-N 285.431 4.569 30 10 CJEE C#CCCCCC[C@@H](O)c1cc2ccc(F)cc2s1 686679819 PXAYGYSKVPLXQF-CQSZACIVSA-N 276.376 4.658 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCCC(F)(F)C1 686697628 RJXCTCDJQVFFIF-HZPDHXFCSA-N 285.422 4.764 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C=C(C)CCCCNc1ccc(N(CC)CC)cc1 2271792574 VRCBKSSLPPINNZ-UHFFFAOYSA-N 260.425 4.691 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC 2271835441 UIPDNBDRCXLQTN-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC1(CNC)CC2(CC(F)C2)C1 2272106058 MPWPTRQAMLPXAE-UHFFFAOYSA-N 269.448 4.855 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C[C@@H](C)C(C)(C)C 2273978364 XEYJSEPHDCXWFE-WBVHZDCISA-N 263.469 4.621 30 10 CJEE C=CC[C@H](C)Nc1ccc(Cc2ccccc2)cc1 2277464429 ZBJGIIGBDVYCSY-HNNXBMFYSA-N 251.373 4.654 30 10 CJEE CCCCCCCN=c1ccc2ccc(Cl)cc2[nH]1 2277671578 CSWPWRCXEVWHJA-UHFFFAOYSA-N 276.811 4.692 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OCF)cc1 2278533019 MZIQVOTWRDBFDF-MRXNPFEDSA-N 267.388 4.613 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)C1CCC(C)(C)CC1 2280479463 BGEKRFZPEPZOEN-LBPRGKRZSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H]1CCC1(C)C 2280926302 OBAJKGLVDRSLOK-CVEARBPZSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)c1c(C)sc(C)c1C 2283729529 OWSUZHMWNHXGBW-DOTOQJQBSA-N 297.508 4.785 30 10 CJEE 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CCc1oc(-c2cccc(O[C@@H](C)CC)c2)cc1C#N 77076998 IUAQFYSZXMIRRW-LBPRGKRZSA-N 269.344 4.558 30 10 CJEE N#CCC1(CN(C2CCCCC2)C2CCCCC2)CC1 88259226 UZTORBWNNJYUEI-UHFFFAOYSA-N 274.452 4.648 30 10 CJEE CC1(C)CCC(C#N)([C@@](C)(O)c2ccc(Cl)cc2)CC1 91877675 YHSGJFHFPDVEKQ-INIZCTEOSA-N 291.822 4.658 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1N 103988473 JCHQGCSCCDUADM-IXDOHACOSA-N 269.473 4.516 30 10 CJEE Cc1cc(Oc2ccccc2)ccc1C[C@@H](C)CS 107617291 VHDHSCWCHMKFJU-CYBMUJFWSA-N 272.413 4.896 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](CC)NCCC 110083752 FBESAOOPGTYIDF-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE N#Cc1ccc(NC23CC4CC(CC(C4)C2)C3)cc1Cl 110251196 QSRQXSMHMWFTNV-UHFFFAOYSA-N 286.806 4.592 30 10 CJEE CCCCCCCCC[C@@H](COc1ccccc1)NC 110518436 KGXZAZMMEHAESS-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE CCCCCCCN1C[C@H](CCC)NCC12CCCCC2 114059600 ZFULQODGRWSASU-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(F)cc1F 114782550 GRLNGTARHANAFS-HNNXBMFYSA-N 270.363 4.619 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)c1ccncc1 117684010 OMPYNYGFYRTOSQ-AEFFLSMTSA-N 276.468 4.914 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]1(C)CCCCO1 125294251 XZQCJYJWHWUDEO-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@H](NC)c1cc2c(s1)CCCCC2 125759942 PHECWFPUHOUGTB-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCC[C@@H](NN)C1(OCC)CCCCCC1 131094229 VUZLFMIUEVZFCV-QGZVFWFLSA-N 298.515 4.698 30 10 CJEE CC[C@@H]1CC[C@H](C)N1CC1(CS)CCCCCC1 136774723 GGIWKODQFACRSH-LSDHHAIUSA-N 269.498 4.520 30 10 CJEE CCCCCCCCNc1nc(C)nc(NCCC)c1C 159049987 WEJHCTDFLXVSSD-UHFFFAOYSA-N 292.471 4.688 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(F)ccc1O 160820934 IGCXPPQHZRXYOP-CYBMUJFWSA-N 267.388 4.542 30 10 CJEE C=CCN(c1ccc(F)cc1[C@@H](C)NCCC)C(C)(C)C 162267804 JSNQOZHRDUXMHW-CQSZACIVSA-N 292.442 4.677 30 10 CJEE N#Cc1ccc(CNc2cccc3ccccc23)c(Cl)c1 162572171 IAKNEVCJKFKTSQ-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE C[C@H]1CCc2ccccc2N1Cc1ccc(C#N)cc1Cl 162856979 VDPNMXLBPDGKTI-ZDUSSCGKSA-N 296.801 4.553 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)CC1 168254976 MZTLJFVZJGLIAX-LSDHHAIUSA-N 274.383 4.714 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC/C=C\CS 211647232 PFDNMSVDBKJZKW-PLNGDYQASA-N 270.825 4.637 30 10 CJEE CCCCCCCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 216314962 RGBQNIHNHYTZOR-BFYDXBDKSA-N 251.458 4.761 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CCCCC1(C)C 226887948 FYUXJSYWLVHZMI-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C[C@@H]1C[C@H]1c1ccc([C@@H](O)C2(C#N)CCCCCCC2)o1 227042433 CSPXMIZKFGMFCX-CKEIUWERSA-N 287.403 4.691 30 10 CJEE CCCCCCCC[C@@H](NC)c1cncc(OCCC)c1 229115257 CVLJREZWQCPFFQ-GOSISDBHSA-N 292.467 4.882 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1cc(C)nn1C 229569298 QLUZSFRULMNYLI-QGZVFWFLSA-N 293.499 4.519 30 10 CJEE N#Cc1ccc(F)cc1CNc1ccc2sccc2c1 230038283 XSPCHLVMRYCWAM-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE C=CCCCCC[C@H]1CCC[C@H]1CNCC(C)C 232608646 QRLSAZONOWNGHS-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[C@H](O)CC1(OC)CCC1 232917531 BLOZDFJAVWVYCF-INIZCTEOSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)cnc1Cl 232919056 PFMFXVQLKNJTEY-UHFFFAOYSA-N 282.815 4.733 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)C1CCCC1 232973301 ZOOQXNBVYQSPHG-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(F)ccc1F 233607673 WMBVEXQLYXMXOX-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NCC[C@H]1C 250830459 QRPDDYIEVKNMPJ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCCC[C@@H]2C)C1 251153037 NEZWTSZWFGVRRN-OBVSXPTNSA-N 276.468 4.605 30 10 CJEE Cc1cc([C@H](CC#N)C2CC2)ccc1OCc1ccccc1 260564460 FHIJGZPAUNDGLQ-LJQANCHMSA-N 291.394 4.981 30 10 CJEE N#C[C@H](Sc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 302375524 MDFBWWHINUYWMI-AZHAFVHUSA-N 277.820 4.760 30 10 CJEE C[C@H]1CCCC[C@@]1(C)Nc1cccc(Cl)c1C#N 308722803 FWXNUGOVDKAKAT-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccsn1 311650387 CFNMBJOLVXNUCV-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OCC[C@H]2CO2)cc1 312315792 FUNLKEVVTVMUTC-INIZCTEOSA-N 276.420 4.568 30 10 CJEE CCCCCCCC[C@@]1(CNCC)CCCS1 317159939 RMWHSXZDJUJZSM-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE C=C(C)CCC1(CNCC(C)C)CCCCCC1 317920737 PACMKPPQVQKWCZ-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@@]1(CNCCOC)CCC[C@@H](C)C1 318343614 VHZYAALVCGNGLR-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE CCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCCC 380479702 UDSNYODCDDJLQO-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCCCCCCNCc1cc(Cl)cs1 380609800 XTYKNLWARFROLR-UHFFFAOYSA-N 257.830 4.628 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Br)cc1 393819752 OCVZBHRGMVBJQS-LBPRGKRZSA-N 296.252 4.702 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)c1cccc(Cl)c1 397209604 WCFRFMYOZDOQFR-CJNGLKHVSA-N 290.838 4.711 30 10 CJEE CC(C)[C@H](C#N)CSc1ccc(Cl)c(Cl)c1 397505155 IECVHFMHOVGGRB-SECBINFHSA-N 274.216 4.881 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2c(C)cccc21 398299581 GURDUPYEWXKQSS-GFCCVEGCSA-N 260.406 4.551 30 10 CJEE C=CCC[C@](C)(O)c1cc(C(F)(F)F)ccc1Cl 406085354 VWGBOCAOLHOGOR-LBPRGKRZSA-N 278.701 4.533 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1sccc1C(=O)C(C)(C)C 466858551 IVGWRFAJKDUVKR-NSHDSACASA-N 293.432 4.518 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC2(CCCCC2)CC1 469951349 XGOSEQPTUSLCAS-MRXNPFEDSA-N 277.452 4.552 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@H](C(C)(C)C)CC1 686676003 LWWUMIWZYOJDFY-WMZOPIPTSA-N 264.453 4.928 30 10 CJEE CCCCCCCCC[C@H](N)c1ccnn1CC(C)C 687056269 NMXUFCPTYNQBJL-INIZCTEOSA-N 279.472 4.680 30 10 CJEE Cc1cccc(F)c1N=C1NC2(CCCCC2)CCS1 687323634 IMCNCVVMDOJHPV-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CO[C@H]1CCC[C@@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688340367 BTDXWMBNMJMSIU-KBPBESRZSA-N 263.425 4.548 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CC12CCOCC2 690034135 RCSMMCPWFMEFBT-SJORKVTESA-N 281.484 4.532 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2)cc(C)c1Cl 690233972 CFICWWISHNMDEJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1c(Cl)cc(N[C@H]2CCCC[C@@H]2C#N)cc1Cl 690267576 IVWUICDSGPTOHV-YGRLFVJLSA-N 283.202 4.796 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(C2CCC2)cc1 690282225 LJWHJOWBZWHYNS-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE C=CCC1(Nc2ccc(C(C)(C)C)cn2)CCCC1 690799354 PAILXKNOMXUUTM-UHFFFAOYSA-N 258.409 4.680 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCCC[C@H]2C)CC1 691135694 UMEKLWFFYMHLIS-CPFNUKBASA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCC(F)(F)C1 692240842 QSSCWBCTEXDYEV-RRFJBIMHSA-N 271.395 4.536 30 10 CJEE C=CC[C@H](CNCCC)CC(C)(C)CC(F)(F)F 694043050 AVPRGIBMPNQLIF-LBPRGKRZSA-N 265.363 4.547 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](N)CC(C)(C)C1 694523463 FIUVSRVSKJIACF-CVEARBPZSA-N 269.473 4.660 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)c(F)c(C)c1 694977326 OUEGBROUYFLSBU-OAHLLOKOSA-N 250.357 4.612 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H](c1ccccc1)C1CC1 695729459 JNKVUFWXGYNSAU-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE CCC(F)(F)C(C)(C)CNc1ccc(Cl)cc1C#N 695768343 IHVHQWZEVQAJDM-UHFFFAOYSA-N 286.753 4.695 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(C#N)cc2Cl)CC1 697549320 DAMABQAOCPSDKI-JSGCOSHPSA-N 276.811 4.617 30 10 CJEE FC(F)(F)c1cccc(SC[C@@H](CS)C2CC2)c1 701995732 YPHTYUAZVDZUEA-SNVBAGLBSA-N 292.391 4.754 30 10 CJEE C=CCCC(C)(C)CNCc1c(C)oc2ccccc12 703988477 KJPRJSSZBSAGBI-UHFFFAOYSA-N 271.404 4.823 30 10 CJEE C[C@@H](CCS)CCOc1cccc2sccc12 705008954 FUDHCPAPJUFVEB-LLVKDONJSA-N 266.431 4.626 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C(CC)(CC)C(F)(F)F 710614740 NNDWIBSLSCLSBT-LLVKDONJSA-N 285.781 4.866 30 10 CJEE C=CCCCCCCN[C@H]1CC(C)(C)CC[C@@H]1C 713079832 XGZXWGBZKIYDAM-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715739563 MJHQOGOVXOPPTB-PNJGHZNZSA-N 260.421 4.764 30 10 CJEE CCCCCCCCC[C@H](NC)C1CC2(CSC2)C1 718358157 HUSYXVHKBGQMTA-INIZCTEOSA-N 283.525 4.858 30 10 CJEE CCCCCCCCCCN1CCC[C@H](C(C)(C)O)C1 719640862 WWJBWOAOCZYNJL-KRWDZBQOSA-N 283.500 4.610 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@](O)(CC)CC2CCCCC2)C1 720399023 KQTMOABEHIMHLY-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCCc2nc(C)sc21 774477158 KIQVAUDOJNHMMV-GXTWGEPZSA-N 278.465 4.553 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CCC(C)(C)CC1 821987886 OMGAHPLTWJLYLY-DLBZAZTESA-N 263.469 4.927 30 10 CJEE C[C@@H](CC1CCCCC1)NC[C@@H](C#N)C1CCCCC1 822180439 UAWHCMYMUDONCJ-MAUKXSAKSA-N 276.468 4.655 30 10 CJEE C=CCCCN(CC)C(=S)Nc1ccc2ccccc2c1 899696065 MWVKVGUCWZWWQA-UHFFFAOYSA-N 298.455 4.825 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@@H]2CCCC[C@H]2C)CCCC1(C)C 1128470597 XTTOROKRGOZLBP-IKGGRYGDSA-N 291.479 4.796 30 10 CJEE C=CCC[C@@H](CCC)NC1CC(C)(c2ccccc2)C1 1181315047 JLZSVZAPESBBJQ-LMDPOFIKSA-N 271.448 4.831 30 10 CJEE C=CC[C@@H](C(=O)Oc1ccc(CCC)cc1)c1ccccc1 1265747572 OVNLKOHEYBPMSZ-LJQANCHMSA-N 294.394 4.904 30 10 CJEE C=C[C@H](OC(=O)CCCCCCSC)c1ccccc1 1279068955 GCESTIZXGSOYFK-INIZCTEOSA-N 292.444 4.770 30 10 CJEE C=CCCC1(CNCc2ccccc2NCC)CCCC1 1308463828 NFHCTDCUIZSUNF-UHFFFAOYSA-N 286.463 4.735 30 10 CJEE C#Cc1ccc(NCc2cc(C)ccc2C)c(Cl)c1 1308538072 LNQAOJZVNKLCIN-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1308929241 WUWDCSZUWBSUPZ-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1 1456640198 GHDKIYIRWXEAIE-MXSMSXNCSA-N 286.415 4.714 30 10 CJEE C=CC[C@@H]1N(CCCSCC(C)C)CCCC1(C)C 1460032549 YNOWSBFWCLURSZ-INIZCTEOSA-N 283.525 4.832 30 10 CJEE C=CCCCCCN(C)Cc1ccc(SC)s1 1461957527 WSYLDSKPUBSIPE-UHFFFAOYSA-N 269.479 4.648 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(F)c(Cl)c1 1465110992 DSJVPEDJJHYTHC-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C#C[C@@H](Nc1nc2c(C)cc(C)cc2s1)c1ccccc1 1472815638 GMXNUPHYBPWAIO-OAHLLOKOSA-N 292.407 4.700 30 10 CJEE C=CCC1(CNC(=O)/C(C)=C\c2ccc(C)cc2)CCCC1 1525845420 PDZOTHQHPLOPLP-VKAVYKQESA-N 297.442 4.651 30 10 CJEE C=CCC(C)(C)CNC(=O)C1CCC(CCCC)CC1 1527068526 GRERJWWLSOMDDR-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE CC#CCCCC(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 1531604354 GVNBTZHFNFJIEI-NSHDSACASA-N 299.197 4.791 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C)cc(F)c1 1534822314 IEXWPJDAFPFNGM-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=CCC(F)(F)C(=O)Nc1cccc(-c2ccccc2)c1 1544076144 NKODAIDJTGXMCF-UHFFFAOYSA-N 287.309 4.504 30 10 CJEE C=CCCCCSc1cc(Cl)ccc1C(=O)OC 1559459759 JRAZOFZAOUUXHS-UHFFFAOYSA-N 284.808 4.575 30 10 CJEE C=CC1CCN(CCCCc2cccc(Cl)c2)CC1 1559541593 AEXGDNFTJLELBF-UHFFFAOYSA-N 277.839 4.561 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2c(C)oc3ccccc23)C1 1560431406 TYKLSQYARFXQQG-CABCVRRESA-N 269.388 4.576 30 10 CJEE C#C[C@@H](N[C@@H](C)CC(C)(C)C)c1ccc(Cl)cc1F 1560825363 KFLGPBOHFPKSLA-XHDPSFHLSA-N 281.802 4.568 30 10 CJEE C=CCCCCCCCNc1c(F)c(F)nc(F)c1F 1612450011 BDSCTPAHHAXOEJ-UHFFFAOYSA-N 290.304 4.577 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CCc1ccc(C(C)C)cc1 1627249663 QSKWTWOMGNBDQP-IBGZPJMESA-N 299.458 4.700 30 10 CJEE C=C(C)CCN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 1642782121 RONUBSJFGSTWAY-IPMKNSEASA-N 269.432 4.611 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2cccc3ccccc23)C1 1649204941 PZQPDYQUZMTARK-LPHOPBHVSA-N 279.427 4.717 30 10 CJEE C=CCCCCCNC(C)(C)c1cc(Cl)ccc1OC 1653964597 KJWFNILJGPERMN-UHFFFAOYSA-N 295.854 4.920 30 10 CJEE C#Cc1ccc(CN[C@H](CCCC=C)c2ccccc2)cc1 1656859009 SWFLTSUOIZYNAL-OAQYLSRUSA-N 289.422 4.855 30 10 CJEE C=CCOc1cccc(CNC(C)(C)C2CCCCC2)c1 1657875227 ITYYDDJIZVQJDG-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE C=CCCCCCN1CCC(Cc2ccc(C)cc2)CC1 1657899768 RQZLRFPYTUMHHN-UHFFFAOYSA-N 285.475 4.996 30 10 CJEE C=C(C)CN(CCCCC(C)C)Cc1ccccc1 1657974598 HFVWYZXBDWZEEH-UHFFFAOYSA-N 259.437 4.891 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@H]1CCCCCC)C(C)(C)C 1658233273 KLVDNRKPTGGMPT-IKGGRYGDSA-N 263.469 4.763 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](COC)CC(C)C 1879020175 OCOANKWWRSKJSY-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CCCC[C@](C)(C#N)CC1CC2(C1)C(F)(F)C21CC1 1881850577 PXOMBKLAYCZINE-OWYJLGKBSA-N 267.363 4.922 30 10 CJEE C=C(CN1CCC[C@H](CCC)CC1)c1ccccc1 1883334823 UHFFWOBFFSHWAY-KRWDZBQOSA-N 257.421 4.602 30 10 CJEE C=CCN(Cc1ccccc1)CC1CCCCCC1 1888230687 JDYGPZRFSVEKMF-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE CC(C)CN(CC#CC(C)(C)C)C1CCCCCC1 1888609411 ABXRFAVKMJOTJX-UHFFFAOYSA-N 263.469 4.717 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C)cc(OC)c1 1893849652 KTUMBCXNAJHIFA-QGZVFWFLSA-N 263.425 4.625 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)sc1C 1903136338 PDCHZKWKKVXKKT-OLZOCXBDSA-N 257.830 4.702 30 10 CJEE 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CJEE CCCCCCCCN(C)[C@H](C)c1ccc(O)cc1F 2196713092 LWBKJDGRYKYGED-CQSZACIVSA-N 281.415 4.885 30 10 CJEE CCCCCCCN(C)CC[C@@H](C)c1ccc(N)cc1 2196729468 ZECMFJNLGWWVOD-MRXNPFEDSA-N 276.468 4.665 30 10 CJEE CCCCCCCCN(C)c1c(Cl)cccc1CNC 2196732669 AHKAKTHFVZRLOI-UHFFFAOYSA-N 296.886 4.856 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1CCCC12CC2 2197153042 WRDHCUNEZCXJLV-ROUUACIJSA-N 269.432 4.648 30 10 CJEE CCCCCCCCC[C@H](N)c1nccc(C(F)F)n1 2197719338 TXDIQZULVXQCPB-LBPRGKRZSA-N 285.382 4.555 30 10 CJEE C=C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)C1CCC1 2197833916 VBYNTARTFQVLKP-HUUCEWRRSA-N 283.337 4.624 30 10 CJEE C=CC1(CN(C)C[C@H]2C[C@H]2C2CCCCCC2)CCC1 2200224318 RFHCCADELTZDOA-MSOLQXFVSA-N 275.480 4.881 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@]1(C)CCCC1(F)F 2203808976 BHEKLCUTHSAYDR-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@@]1(CNCC(C)C)CC=CCC1 2203811214 USUJBGBDZZETAK-LJQANCHMSA-N 275.480 4.932 30 10 CJEE CCCCCCC[C@H](O)c1nnc(C2CCCCC2)s1 2204819277 NLFLKPGOMZMPJY-AWEZNQCLSA-N 296.480 4.980 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(O)CC[C@H](C(C)C)C1 2206191462 DUHKFMDBHITIEO-BZSNNMDCSA-N 283.500 4.642 30 10 CJEE C=CCCCCCC[C@]1(CNCCC)C[C@H](C)O[C@H]1C 2206890333 GHNMFDAOOYNVDU-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)CCCC1CC1 2207374222 OLFQNBDCLATCOM-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCN1CC[C@H]2[C@@H](C1)C2(F)F 2207374871 DCJYBERPQJOBGE-JKSUJKDBSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCCN1CC[C@H](C)[C@H](OC)C1 2207382710 VGAALJYNSCDPTH-ZWKOTPCHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCC[C@@H](O)C12CCOC(C)(C1)C2 2207414932 QLJUKFJUINTJHD-WWDZGPRUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1CC(C)(C)CO1 2207426581 DFCGEEFDQTXFNE-SJORKVTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@H](N)COc1ccccc1 2207426604 DMSGYJAXRWVKAS-KRWDZBQOSA-N 275.436 4.700 30 10 CJEE C=CCCCCCCCCCO[C@]1(C)CCC[C@H](N)C1 2207430499 VTPZZZAUXGNSLZ-ZWKOTPCHSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H](CN)CCC 2207433641 BRLVYHYVKPYJCA-MSOLQXFVSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1CCC[C@H](OC)C1 2207438074 RXLGAXVQXNRHIR-OKZBNKHCSA-N 281.484 4.826 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)C1CC(C)(CC)C1 2207468092 HUHZOCCNVDVDGW-AOCRQIFASA-N 282.516 4.575 30 10 CJEE CC1(C)C[C@@]1(Cl)CC1(C=O)CCCCCCC1 2216097354 QAMYQFARLVKLLU-OAHLLOKOSA-N 256.817 4.714 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H](C)SC 2217314955 STKCCJNWPDKNIO-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](P(=O)(C(C)C)C(C)C)C1 2217546830 VNMUWYRVOGRDBO-RBSFLKMASA-N 269.369 4.885 30 10 CJEE C=CCCCCCCCC(=O)c1ncc(SC)s1 2220085498 NZAKFRCBCLTGHC-UHFFFAOYSA-N 283.462 4.964 30 10 CJEE C=CCCCCCCCN1CCC(SCC)CC1 2220092072 JZSMWHGQUCVNNX-UHFFFAOYSA-N 269.498 4.731 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1sc(C)c(C)c1C 2221247651 XBCNIFYGAJPVJR-ABAIWWIYSA-N 265.466 4.926 30 10 CJEE CC(C)[C@@H](CS)CSC12CC3CC(CC(C3)C1)C2 2222265190 HZUMTOUZNBYIHP-DQGBIZLVSA-N 284.534 4.890 30 10 CJEE CCCCCCCCCCCOCC(=O)C(C)C 2223233269 GXTRNDGJAVHYOY-UHFFFAOYSA-N 256.430 4.759 30 10 CJEE C=CC[C@@H](CNCCC)CC1C[C@H]2CCC[C@H](C1)C2 2225340915 RKPDWAGLRJAGCM-YESZJQIVSA-N 263.469 4.785 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@](C)(F)C(C)(C)F 2227267258 DRBWUKDMYCHYNG-HOCLYGCPSA-N 275.427 4.967 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2227269044 VSWHUMZYBCNXNM-UXJCHEOYSA-N 261.453 4.523 30 10 CJEE C=CCCCCCCC[C@@](C)(CC)CNCCOC 2227272181 CRRZDINKLFYTTA-QGZVFWFLSA-N 269.473 4.555 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccc(C)nc1 2227273306 HFKNRGLKDSIUJM-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1ccc(C)s1 2227289632 AONHYTQGFKCELH-MRXNPFEDSA-N 280.433 4.576 30 10 CJEE C#CCCC[C@@H](NCCC)[C@H]1CC[C@H](CCC)CC1 2229872367 JEBKWSNBAFAOCS-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](C)C[C@H](N)C1 2231027009 UKKUTJYQXXQMTN-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCO[C@](CC)(C(=O)O)C(C)C 2231043706 BRMNLBAJKKSVSH-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@]1(CN[C@H](C)CC)CCCOC1 2231482661 FQXMFMHFGAENGZ-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@](C)(O)c1nc2c(s1)CCC2 2231912022 XWHUCCJHOHYFAG-INIZCTEOSA-N 281.465 4.590 30 10 CJEE C=C([C@@H](CCc1cccc(F)c1)NCCC)C(C)(C)C 2232797368 NOUXHNWOYHJGFQ-QGZVFWFLSA-N 277.427 4.729 30 10 CJEE CC(C)(C#N)CCCCNC[C@H]1C[C@H]2CCC[C@H](C2)C1 2233682512 SDJCJAMTKBMSGX-BJWYYQGGSA-N 276.468 4.512 30 10 CJEE C=CCCCCCCCCO[C@@H]1C[C@@H](N)C[C@H](CC)C1 2234040941 IDJAPBDHFIOLAK-BZSNNMDCSA-N 281.484 4.826 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1C[C@H]2CSC[C@H](C1)C2 2236720324 PMCJQLZMFYYCAI-OVWQWFNUSA-N 295.536 4.736 30 10 CJEE C=C(COCC)[C@H](NCCC)[C@H]1CC[C@H](CCC)CC1 2238215738 SGOLKCPHUJTBGY-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE C=CCCCCOCc1cc(CN[C@@H](C)CC)sc1C 2238963982 UENKEJRXAGMSEE-AWEZNQCLSA-N 295.492 4.818 30 10 CJEE CCCCCCCCCCO[C@]1(C(=O)O)C[C@@H](C)[C@H]1C 2239505131 WEGOLWLSUDKVHS-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE CCCCCCCCCCCOC[C@H]1CNC[C@H](C)C1 2239555023 RODHNENLHITSLJ-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE C=CCCCCOc1cccc(C)c1CN[C@@H](C)CC 2240230662 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C=C(C)CCCC[C@H](O)c1cc(Cl)c(F)cc1F 2259198471 IUAVJRUGZXVREJ-AWEZNQCLSA-N 274.738 4.788 30 10 CJEE C=C(C)CCCCSc1ccc(C)c(C(=O)O)c1 2259199576 IOXHRFGIFDCTGM-UHFFFAOYSA-N 264.390 4.532 30 10 CJEE C=C(C)CCCC[C@H](C(=O)O)C1CCCCCC1 2259206312 LFDLNHYROZTFTH-HNNXBMFYSA-N 252.398 4.794 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCC[C@H]1CC 2259241776 PKGYHFUFALLNPI-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CC1CC2(C1)CC(C[C@]1(C#N)CCC(F)(F)C1)C2 2259525061 QCGBUDPJQCQQKX-WCFLAILDSA-N 253.336 4.532 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 2260403031 XDVZKEMMXFIGML-ZJUUUORDSA-N 290.209 4.995 30 10 CJEE SC[C@@H](CSC1CC2(CCC2)C1)c1ccccc1 2260538429 GZDKVANXESNGHH-AWEZNQCLSA-N 278.486 4.766 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1sc(C(F)(F)F)cc1C 2263309408 FOMPFRCMJCXAHD-LDYMZIIASA-N 277.355 4.548 30 10 CJEE C=CCCCCCN(C)CC1(C)CC(C(F)(F)F)C1 2264650856 KTIJUSXWWIFURK-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE CCCCCCC[C@H](NC)c1cc2cccnc2s1 2265364329 BIXFLKCADDPHSV-AWEZNQCLSA-N 276.449 4.917 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(C)cc1F 2266751297 QZUWXIFIENXUNV-INIZCTEOSA-N 266.400 4.788 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1(CC)CCC1 2268752075 GKOBZLJCTQXNSG-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE CCCC[C@@H](C)CC[C@@H](N)CC=CC#CC(C)(C)C 2268819535 CMUSUHAFXADTPH-SJORKVTESA-N 263.469 4.916 30 10 CJEE C=CCCCCCCCSc1cc(NCC)ncn1 2271517524 YEOPMZLEDMVAIR-UHFFFAOYSA-N 279.453 4.527 30 10 CJEE C=C(C)CCCC[C@H](Cc1c(F)cccc1Cl)NC 2271792583 VUUWWTHDIORYFY-CYBMUJFWSA-N 283.818 4.746 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1csc(C(F)(F)F)n1 2271838778 JOQLDWWISZVZSN-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE C=CC1(CNC[C@@]23CCCC[C@H]2CC3)CCCCC1 2273435279 XFMAEXXJRQQSCI-WMZOPIPTSA-N 261.453 4.683 30 10 CJEE C=C1CC(C[C@H](NCC)C2CC(CC(C)(C)C)C2)C1 2274235984 XVOVBQSTIXNPJO-JCYILVPMSA-N 263.469 4.783 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(SC)s1 2276224253 RWUVFLRIABJUNC-CYBMUJFWSA-N 299.505 4.623 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)C(C)C)OCCN 2276748225 BNWQFUKMNJAOGU-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@@H]1C[C@H]1C 2277296963 WFSJEYKRCXDPQU-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CN(CCCCCCCS)C[C@@H]1CCCCC1(F)F 2277499266 CJRDXRPTPRRNSY-AWEZNQCLSA-N 293.467 4.624 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@H](N)CC 2278106934 XMBJPQMCHUBNIJ-DLBZAZTESA-N 270.505 4.575 30 10 CJEE CC(C)(C)C#CC=CCCc1ccnc2ccccc12 2284096264 PRVMFLIZKFNWHN-UHFFFAOYSA-N 263.384 4.773 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCCCS1 2284112295 MDQULXJOCFXXMS-IAGOWNOFSA-N 293.520 4.636 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C(C1CCC1)C1CCC1 2284184241 CIODAIFCBILBAR-QGZVFWFLSA-N 273.464 4.526 30 10 CJEE CCCCCCC[C@@]1(CNC2CCC2)C[C@]1(C)COC 2284728737 WYDSTXUZGCIDFF-MSOLQXFVSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1cc(C)c(Cl)cc1C 2285421771 HCJVWZMSYUKCQN-INIZCTEOSA-N 296.838 4.861 30 10 CJEE C=C(C)CC[C@@H](C)NCCCN(CCCC)CCCC 2286805622 MWPBGFVHSFQMIM-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCSC[C@@H](C(=N)N)C1CCCC1 2287096298 JLMURSQQUODACE-MRXNPFEDSA-N 296.524 4.989 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)[C@@H](C)CC(C)C 2287375322 NOMVSDLRKIXVMT-OKZBNKHCSA-N 283.500 4.534 30 10 CJEE C=CCO[C@H]1CCCN(CC[C@@H](C)CCCC(C)C)C1 2287962859 GQLDDHCUISPPDB-ROUUACIJSA-N 281.484 4.506 30 10 CJEE CCC[C@H]1CNC(=NCC[C@@H](C)CCCC(C)C)SC1 2287980523 CBMQHTOIEWCSER-HOTGVXAUSA-N 298.540 4.948 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C(C)(C)CC(F)(F)F 2289868926 ROZPUNZUSUMEHF-AWEZNQCLSA-N 289.385 4.527 30 10 CJEE O[C@]1(CC#CC2CCCC2)CCCCCCCC1(F)F 2289906373 ZVYORXGVQAMEAP-INIZCTEOSA-N 284.390 4.681 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1CCCC[C@H]1C(F)(F)F 2289923954 FOEXAWASSLMURY-ZIAGYGMSSA-N 286.337 4.508 30 10 CJEE C=CCC[C@H](C)[C@H](Cc1cccc(C(C)(C)C)c1)NC 2290290064 AVAKBACBNUETGK-YJBOKZPZSA-N 273.464 4.717 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)c1csc(C)c1 2290840565 XVQLKXAUGDNMTE-INIZCTEOSA-N 298.448 4.733 30 10 CJEE C=CCCC[C@@H](OCCC(=O)O)c1ccc(Cl)cc1C 2291771465 NTHWIFPROOOCFC-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=CCCCCCCCC1(OCCCN)CC2(CC2)C1 2292645394 FMDCPGHRZMZCGR-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCCCCC[C@@]1(OCCC(=O)O)CCCC[C@H]1C 2292703243 UKUKJTVODMFMBV-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C1CCC(C[C@@](C)(CCC=C(C)C)OCCN)CC1 2292908598 YYYSHSINBIOEPT-GOSISDBHSA-N 279.468 4.603 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@H](F)C1)OCCCN 2293351312 KJNQNNSSQDDQEG-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1cccc(C)c1 2293877394 WVFWPEDXJMVEHQ-GOSISDBHSA-N 275.436 4.538 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCC(C)(C)C1 2294003454 LRZIFKUGZQZQAI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CC1(F)F)OCCN 2294044359 JFEWSDLFOYALHG-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE Cc1ccc(C=CC(=O)c2ccccc2Cl)s1 2294300067 OYCAJCSUBNWSMY-UHFFFAOYSA-N 262.761 4.606 30 10 CJEE CC=CCCC[C@@H](N)[C@](C)(O)CCCCCCCCC 2295680801 AMILKCVUSDVBTR-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE CCCCCCCCC[C@H](C)NCCOCCC1CC1 2295683934 GUEBDWPPQWNVRX-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(NCCC)C1CC1 2295710672 IRYVJIFLNMFMPV-WBVHZDCISA-N 296.524 4.608 30 10 CJEE CCC[C@H](CS)COCc1cccc(Cl)c1Cl 2301344967 AEOWIEUPVRCUHQ-JTQLQIEISA-N 293.259 4.856 30 10 CJEE CC(C)=CCC[C@H](C)OC[C@H](CS)C(C)(C)C 2302765790 NRCHTGJWHYJATH-UONOGXRCSA-N 258.471 4.730 30 10 CJEE C=CCCCCCCn1cc(C(C)C)nc1Br 2304318464 XIVUIXBMKGPJJW-UHFFFAOYSA-N 299.256 4.906 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@]12CC[C@@H]1C2 2308558408 XTCYNVAYRHNVGX-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](CCC)C(C)C 2316745673 ZQHLTBAUWLDUSL-DLBZAZTESA-N 251.458 4.805 30 10 CJEE CCCCCCCC(=O)O[C@H]1C=CCC(C)(C)C1 2317896906 YQPGRZKKCSIWMM-AWEZNQCLSA-N 252.398 4.635 30 10 CJEE C=CCCCCCC[C@H](O)[C@H]1CC[C@H]1C(C)(C)C 2320216677 COHYYLUOGXEVOE-XHSDSOJGSA-N 252.442 4.946 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@H]1CCCC[C@H]1CC 2321146178 WQNZEEVINBFIQR-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CCC1(CC)CCCN1C[C@](C)(CS)C(C)(C)C 2327091719 ZETIKBKIQDVULD-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CC[C@@H]1SC 2328047221 YRFHZTJIVUMIDV-HOTGVXAUSA-N 269.498 4.906 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@]12CCCC[C@@H]1C2 2332426108 CIBYJLFGDYAJTI-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CC[C@H](C)SCC[C@H](NCCC)c1ccccc1 2335191545 QFMUSWXBNXTALD-RDJZCZTQSA-N 277.477 4.815 30 10 CJEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2cccc(C)c21 2337152086 WSQHUJNUEYWPLG-TZMCWYRMSA-N 272.417 4.551 30 10 CJEE C#CCCCC(O)(C1CCCCC1)C1CCCCC1 2338423790 STKSZZPYRWOMKN-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE C=CCC(CC=C)N1CCCC12CCC(C)(C)CC2 2338661019 BUYUDCYTWSKKEJ-UHFFFAOYSA-N 261.453 4.942 30 10 CJEE Cc1cccc(NCCCC2=CCCCC2)c1C#N 2341085723 JHOZDHNHQUJJIH-UHFFFAOYSA-N 254.377 4.559 30 10 CJEE C=CCCCCCCC[C@@H](CCCCCOC)NC 2341329602 BXYOLOHYUGRUEP-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC(C)(C)C1)NN 2341706264 HRLUXHMRRPXZPK-HZPDHXFCSA-N 268.489 4.785 30 10 CJEE C=C1C[C@H]1[C@H](CC1CCC(CCC)CC1)NCCC 2341891427 CPJPJLQZBSCGCY-HIEASXQVSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1ccc(C#N)cc1Cl 2343118905 XIBHDEZBCCZHOY-OLZOCXBDSA-N 276.811 4.696 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@](C)(CC)CC=C 2344375663 OAHHWXDXFQRBKU-ROUUACIJSA-N 263.469 4.931 30 10 CJEE C=CC[C@@H](C)[C@@H](O)CCC12CC3CC(CC(C3)C1)C2 2344477172 REWKUFAMAQLBJH-JRHYKELJSA-N 262.437 4.556 30 10 CJEE CCN(C[C@](C)(CS)C(C)(C)C)c1ccccc1F 2352085623 VZQKVTIJTARDRA-MRXNPFEDSA-N 283.456 4.634 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C(=O)O)c1cccs1 2352213212 XVTDUHNGANEERQ-HNNXBMFYSA-N 296.457 4.692 30 10 CJEE FC1(F)C[C@@]12C[C@@H]2COCCCCCCCCCS 2352499939 OZWHWIBVXHTFEP-ZIAGYGMSSA-N 292.435 4.709 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138835 YGJNPEDADONOAA-ABFRBSLYSA-N 294.508 4.597 30 10 CJEE CC1(C)CCC[C@@](C=O)([C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2354793725 CEKFKEMFXYDMSZ-HGTKMLMNSA-N 284.390 4.843 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1C[C@@H]2C[C@@H]2CO1 2360179719 KUZAPFHMMBFIDG-XMTFNYHQSA-N 281.484 4.530 30 10 CJEE C=CCOc1ccc(CNc2cccc(SC)c2)cc1 21014806 DDETZTKZMFJVCV-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE CCc1ccc(OC)c(C[C@@H](C#N)c2ccccc2Cl)c1 57761575 JNAMJURCAGVDPU-HNNXBMFYSA-N 299.801 4.761 30 10 CJEE CCc1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59302736 VZIJUHHQNRZXCB-DEDYPNTBSA-N 276.383 4.800 30 10 CJEE C=C(C)[C@H]1NCCc2ccc(Oc3ccc(C)cc3)cc21 83708791 UWQCBKHRTRCKLQ-LJQANCHMSA-N 279.383 4.550 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87930434 KRSVQEWTYJHCHS-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981717 ZWQAJDKMVQMLLK-WBMJQRKESA-N 276.449 4.703 30 10 CJEE CCCCCCCCCCNCc1cn2ccccc2n1 105838854 LGJWLXOUFBRYEC-UHFFFAOYSA-N 287.451 4.565 30 10 CJEE CCC#C[C@H](C)Cc1cc(Cl)c(OC)c(Cl)c1 107536848 DVOLAQLYNPAFEV-JTQLQIEISA-N 271.187 4.594 30 10 CJEE C=CCOc1ccc(CNC2CCC(CCC)CC2)cc1 109933510 LEHULMRZPTUDTB-UHFFFAOYSA-N 287.447 4.700 30 10 CJEE CCCCCCCOC1(CNCCC)CCC(C)CC1 110067685 URXVPUMBFYNSLD-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCO[C@H]1CCCc2ccccc2[C@H]1NC 110081650 WETFHEZHXLSQPS-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE CCCCCCCCN1CCCC[C@H]1CNC(C)(C)C 111762128 UPKSNSGWRWRASS-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](N)c1cc(Br)cs1 112537746 OUKPDCKWWDPHHS-NSHDSACASA-N 290.270 4.871 30 10 CJEE CCCCCCCCCOc1c(F)cc(CNC)cc1F 124988494 BACABEMBVSNHBG-UHFFFAOYSA-N 299.405 4.814 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(C)CCCCO1 127063885 OGAHJLMVNOCKHP-DLBZAZTESA-N 270.457 4.837 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1F 127761984 NSKDJJKJCYXMLH-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCC[C@@H](NC)C1C[C@@H]2CC[C@H](C1)N2C 129227037 VMZIHOKEBQVXPZ-XVLXNVKGSA-N 294.527 4.588 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(C)c(O)c1 129373320 RQDIDJQXUAEDOP-UHFFFAOYSA-N 291.435 4.571 30 10 CJEE CCCCCCCC[C@H](NN)[C@@]1(OCC)CCC[C@H](C)C1 131064816 WRTMGDRLHKYVJU-OKZBNKHCSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@@H]1CCCCO1 134521545 HNBQKDFMSLFMHZ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCCCCCOC(=O)[C@@H](C)N 137331701 OGRCQGKJWFJROA-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE CCCCCCCCC[C@H](CCOCC)NCC 139536162 QPNWNIKNYKDYRO-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C(F)(F)F)cn1 139560069 ZEFXAOVZJAYNKV-ZDUSSCGKSA-N 288.357 4.721 30 10 CJEE CC[C@@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)CC1 156824038 FHMBJUAFNWXUHL-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(OC(F)F)cc1 158119617 JNFLKHOQKHWPRE-OAHLLOKOSA-N 285.378 4.909 30 10 CJEE CCCCCCCCNc1cc(NC)nc(C(C)(C)C)n1 159048594 FKVMBSSLUJFJSL-UHFFFAOYSA-N 292.471 4.588 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCCC)cc1)C(C)(C)C 162273902 BNJFAZLMCRDTET-OAHLLOKOSA-N 274.452 4.538 30 10 CJEE CCCCCCCCC(=O)CCC[C@@H]1CCCO1 166348614 MXLXVTWYRSEDOL-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1F)C(C)(C)C 213712851 GNAKMMSNVWSWJJ-PWSUYJOCSA-N 295.785 4.728 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)CCC[C@H](C)C1 226462980 ANMRESKZAHBOJD-RDJZCZTQSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCCNC1=N[C@@H](C)C[C@H](C)S1 228154038 XAUAYDIPPYMRLM-GJZGRUSLSA-N 284.513 4.987 30 10 CJEE CCCCCCC[C@H](O)c1ccc2c(c1)C(C)(C)CO2 228532306 BQMMOQCDVURCBU-INIZCTEOSA-N 276.420 4.751 30 10 CJEE CCCCCCCCCC(=O)c1cncc(OCC)c1 229403149 DGWMXZNYHVVOOJ-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@@H](C)C2)C1 230794748 LIJDPEYUDBPFTB-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE CCc1ccc(Oc2cccc(Cl)c2C#N)c(OC)c1 232342297 BUBYVQDRPRWKRK-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE CC(C)(C#N)CCCCOCc1ccc(Cl)cc1 232517251 DKDWZIJQZGWWCT-UHFFFAOYSA-N 265.784 4.577 30 10 CJEE CCCCCCC[C@@H](N)c1c(C)cc(F)cc1C 232945279 ZMKOLNBCGIHVOI-OAHLLOKOSA-N 251.389 4.803 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H](OCC)C1(C)C 232948963 KTKZKCPQWVIUEU-ARFHVFGLSA-N 269.473 4.529 30 10 CJEE CCC[C@H](C)[C@H](C#N)Sc1ccccc1Cl 233341554 MREXSHSKFIIKAC-GWCFXTLKSA-N 253.798 4.760 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCCCCC(C)(C)C#N 233910345 GEYKANVKENFRGU-HUUCEWRRSA-N 251.414 4.692 30 10 CJEE N#Cc1ccc(NCc2cccc(C3CC3)c2)c(Cl)c1 236030809 SMRMGXUEYJICEW-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H](C(C)C)CC2)C1 251241154 ACHNPRNGZUOVSY-NCXUSEDFSA-N 290.495 4.853 30 10 CJEE CCCCN(CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252432940 AVMBKTVIIHLNAZ-GBESFXJTSA-N 284.447 4.584 30 10 CJEE CCCCCCCCCCCCn1nc(N)cc1C 311803237 CBKONNSULWQNRE-UHFFFAOYSA-N 265.445 4.695 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)CCC(C)(C)C)cc1 312172183 YHJYVJWINJZFJO-INIZCTEOSA-N 271.404 4.813 30 10 CJEE CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 313428061 NDAJWCUXVJKQIN-RDTXWAMCSA-N 270.420 4.568 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1cccc(Cl)c1Cl 316702829 CDKONMGGFAFNLG-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@]1(C#N)CCCC[C@H]1C 384763339 AWQALTVKHJAXTJ-ABAIWWIYSA-N 292.766 4.528 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1oc2ccccc2c1CC 384841392 IUQMLEQOBGIGCS-ZDUSSCGKSA-N 271.404 4.858 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCCOCc1ccccc1 384887908 SPBUYFCIZLQMSU-FUHWJXTLSA-N 271.404 4.703 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2ncc(Cl)cc2Cl)C1 384984328 OBUORMFJLSSDKO-IINYFYTJSA-N 283.202 4.750 30 10 CJEE CCCCCCCCC[C@@H](O)CC1(COC)CCC1 388686428 FOBHCMPBENREMO-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)C1CCCC1 397134365 URNQSQQHAYVMBM-BBRMVZONSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@H](NCC)c1cscc1Br 404851581 SOXVOLXWDLXOHQ-LBPRGKRZSA-N 288.254 4.518 30 10 CJEE C=CCCCNC(=O)c1cc(-c2ccccc2)ccc1Cl 468385945 YEYXSESZBLKKPO-UHFFFAOYSA-N 299.801 4.703 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccoc1Cl 686687425 QGFUEFRRCZFQCT-CQSZACIVSA-N 267.800 4.557 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccsc2Cl)C1 688002899 ISVLEUHTJJZMFD-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCc1ccc(CC)c(N[C@@H]2CCCCC[C@@H]2C#N)c1 689530068 WFSNUDPDCRVHFC-IAGOWNOFSA-N 270.420 4.696 30 10 CJEE C[C@@H](Cc1ccsc1)Nc1ccc(C(C)(C)C#N)cc1 689866367 DIWHZKMCEPJGOW-ZDUSSCGKSA-N 284.428 4.592 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc3sccc3c2)CC1 691800819 MDLSWFSHHFOBAB-LLVKDONJSA-N 256.370 4.830 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12CCC[C@@H]1C2 693201171 AXNHGAYILFEDDC-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@H](O)CCc1cccc(N)c1 695653670 SUHCAKUPRRCKQD-GOSISDBHSA-N 277.452 4.703 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C)c1ccc(N)cc1 695899225 OCYFEFLGEPOINY-YJBOKZPZSA-N 277.452 4.874 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnc(Cl)n1C 696478949 OSFPELVVARSXKD-AWEZNQCLSA-N 286.847 4.638 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CC12CC2 698141824 YEMVIRIPSHLOOP-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=C1C[C@H]2CC(NCc3ccccc3Cl)C[C@@H](C1)C2 700404338 AZPVBJXDCCZAOH-MZBDJJRSSA-N 275.823 4.565 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C)Oc1ccccc1 700690602 HYCGFUWEEFMKSN-WBVHZDCISA-N 264.409 4.565 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(C)(C)C 702292201 AZYBAEKQFFEGHG-KDOFPFPSSA-N 265.400 4.538 30 10 CJEE C#C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(C)(C)C 702293072 HMNGGWTWCJNSAQ-HIFRSBDPSA-N 293.863 4.514 30 10 CJEE CCCC1CCC(C#N)(Cc2cncc(Cl)c2)CC1 703684227 OQZPRMUNMYSIGE-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE CCCCCCC[C@](C)(N)[C@@H]1CC2CCC1CC2 704510070 VGZZSTSFAWAJEX-BACDZXNISA-N 251.458 4.891 30 10 CJEE c1cc(N=C2NC3(CCCC3)CS2)cc(C2CCC2)c1 709702054 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259.437 4.748 30 10 CJEE CCSc1ccccc1N[C@H]1CCCCC[C@@H]1C#N 2102248039 BJZDYJCSJPFNAK-KGLIPLIRSA-N 274.433 4.683 30 10 CJEE CCCCCCCCCNCC12CCC(F)(CC1)C2 2104469238 IAXUKABXKISUHE-UHFFFAOYSA-N 269.448 4.999 30 10 CJEE CCCCCCCCC[C@@]1(C=O)CCOC(C)(C)C1 2105211821 OSHPDZVHKMHRHF-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE O=C(C1=CCCC1)c1ccc(-c2ccc(F)cc2)s1 2107835407 XCNHYAGFNFUVTH-UHFFFAOYSA-N 272.344 4.847 30 10 CJEE CCCCCC[C@@H](NCCC)c1cccc(C#N)c1 2107945410 INTSHBLGHLSUIE-QGZVFWFLSA-N 258.409 4.569 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(C(C)(C)C)n1 2107954093 FGCFBPIEUXKXNZ-TZMCWYRMSA-N 280.481 4.694 30 10 CJEE CCCC[C@](C)(C#N)[C@@]1(O)CCC[C@@H](C(C)C)CC1 2108208039 UAECQOQSNCQFFF-BRWVUGGUSA-N 265.441 4.674 30 10 CJEE CC(C)(C)OCCCCC[C@]1(C#N)CCC12CCC2 2110489798 FXMKSNLZAUMVFS-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)c1ccccc1Cl 2113412716 HMBWKVQTRRLRQJ-MRXNPFEDSA-N 293.914 4.652 30 10 CJEE C#CCCC[C@@]1(CNC(C)(C)C)CCCCC12CC2 2116973655 FERAGBDDJIWKMM-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=C[C@H](C)[C@@]1(CNC(C)(C)C)CCCCC12CCC2 2116976463 BWZGIXWOFWWJST-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCCC23CC3)sc1Cl 2116997180 QDKMPVMHZBHNRW-DOMZBBRYSA-N 295.835 4.608 30 10 CJEE O=C[C@]1([C@@H]2[C@H]3CCCCC[C@H]32)CCCCC12CCC2 2117040707 QITJYUOFAGOESJ-LHHMISFZSA-N 260.421 4.742 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CCCC(C)=C1C 2119169030 ZFEASDYYVNYBTC-KRWDZBQOSA-N 266.425 4.558 30 10 CJEE N#CC1(Cc2cccc(Cl)c2F)CCC2(CC1)CC2 2120100861 JJJKFUIRJCCBOZ-UHFFFAOYSA-N 277.770 4.886 30 10 CJEE C#Cc1ccc(NC2CC3(CCCCCC3)C2)cc1 2120722641 IZNIUGHRMXHRQK-UHFFFAOYSA-N 253.389 4.583 30 10 CJEE N#CC1(C[C@H](F)C2CCCCC2)C[C@@H]2CC[C@H](C1)S2 2121739112 QOAJCZLOBRPYFM-QGPPMGRFSA-N 281.440 4.863 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2CCCCC2(F)F)C1 2125729787 WOHBAPNYXQKWMO-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C=C([C@@H](NCCC)C1(F)CC2(CCC2)C1)C(C)(C)C 2127949867 NAJDALUFLYDAAC-CQSZACIVSA-N 267.432 4.629 30 10 CJEE CC[C@H]1CCCCCN1c1cc(Cl)c(F)cc1C#N 2127971732 OPFSZFAZWOBXHV-LBPRGKRZSA-N 280.774 4.510 30 10 CJEE CCC1(CNc2cc(Cl)c(F)cc2C#N)CCCC1 2128015130 ZNRRAAXKMWDPTE-UHFFFAOYSA-N 280.774 4.733 30 10 CJEE N#CC1(CC23CCC(CC2)CC3)C[C@@H]2CC[C@H](C1)S2 2128498303 DDOABTRZFRGSDS-HXGYVLDSSA-N 275.461 4.915 30 10 CJEE C=CCCCC[C@H](NCC)C(F)(F)C1CCCCC1 2128802843 KCORNJNYDZNZLN-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE CC[C@H](CCC(C)C)N(C)c1c(C)cccc1C#N 2129486827 NZMSVBFINNYKTK-MRXNPFEDSA-N 258.409 4.518 30 10 CJEE CC1(C)CC[C@H]1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 2132024642 RMTBAUJDFCBPDE-QWRGUYRKSA-N 296.197 4.606 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@H](C)C(C)C 2132762166 PENXTOZTSVRYIZ-HOTGVXAUSA-N 270.457 4.739 30 10 CJEE C=C1CCC(C[C@H](NCC)C(C)(C)CC(F)F)CC1 2133741780 IPVWUAROPGVQLD-AWEZNQCLSA-N 273.411 4.782 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2)NCC 2134530422 GCDUYGLXTWXYIO-SOMFZHDCSA-N 263.469 4.617 30 10 CJEE C=C([C@H](NCC)[C@H]1C[C@@H]1C1CCCCC1)C(C)(C)C 2135325689 VHOFUGDDLWWICI-IKGGRYGDSA-N 263.469 4.783 30 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270.457 4.717 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1cccnc1 2142428037 OMGNAKYHRKCUDC-KRWDZBQOSA-N 260.425 4.778 30 10 CJEE C=CCCCCCCCCC[C@H](COCCC)NC 2142436127 UBGDKEHVZRLYEL-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@]1(C)C(F)(F)F 2142440508 HJQUKOPGRUJKNL-KBPBESRZSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCCCCC1(C(=O)O)CC(F)C1 2142442239 UBVVIPKQHZETGW-UHFFFAOYSA-N 270.388 4.886 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@H]1C[C@@H]1CF 2142445966 LNRUAHRCCCXCCT-IKGGRYGDSA-N 269.448 4.877 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H](C)COC 2142451309 VJRKOULOCYJPRP-SJORKVTESA-N 270.457 4.717 30 10 CJEE C#C[C@@H](NCC(C)(C)C1CCCCC1)c1ccccc1 2144285200 RSJQXZZHXLMDRA-GOSISDBHSA-N 269.432 4.557 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)CC1 2144486267 FLYJCUYOOZMXEM-YYTXDEJISA-N 275.480 4.783 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cnn(C)c1C 2145400507 ITHMTWMZMSDAAL-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3C[C@@H]4CCC[C@@H]43)n2)cc1 2145450451 STRKTYJXHYBZOW-SOUVJXGZSA-N 280.396 4.585 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)C1 2145886256 SANKWUPDTOLZOC-VSZNYVQBSA-N 275.480 4.737 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](O)c1sc(C)cc1C 2147740327 RDRQDTJHJFPHTH-JKSUJKDBSA-N 295.492 4.513 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)[C@H]1CCC[C@@H](C)C1 2147982194 BBZWTMVTDXFPTQ-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H](O)C1(C)CC1 2148580520 YHCZZQAHLRXUIB-IAGOWNOFSA-N 283.500 4.786 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(O)CC(C)(C)CC[C@@H]1C 2148581543 GJWZDLFYJKWTJJ-BQFCYCMXSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@](C)(O)CC1CCC1 2148583710 RYRFRMBZDQZZGA-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)cc1F 2148746907 PMATYJXGSWVROW-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE Cc1cccc(C#N)c1NC[C@]12CCCC[C@@H]1CCC2 2149149776 RCKCAVUKVGRPLV-SJLPKXTDSA-N 268.404 4.639 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@@]1(C)CC1(C)C 2149856426 XVKNKKUYHJNMOI-IEBWSBKVSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@@H]1CCC[C@H]1C 2149870752 OOUAFCRNNNVLCZ-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CN)C1CCCC1 2150095219 AVTMYLPBGOABDE-QGZVFWFLSA-N 281.484 4.851 30 10 CJEE CCCCCCCCCCNC1CC([C@@H]2CCOC2)C1 2151222758 FUBYTBCTYGWTIJ-WWDZGPRUSA-N 281.484 4.532 30 10 CJEE C=C(C)CC[C@@H](N)c1cccc(Oc2ccccc2)c1 2154647462 ZKOSSXQHNXWCNG-GOSISDBHSA-N 267.372 4.835 30 10 CJEE Cc1cc(C)c([C@@H](N)CC#CC2CCCCC2)cc1C 2154708484 JTLHROHNGUNUGJ-IBGZPJMESA-N 269.432 4.585 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1ccc(-c2ccccc2)cc1 2158324089 NMHDHXJZGGORNF-BEFAXECRSA-N 265.400 4.956 30 10 CJEE Cc1cccc(NC2CC[Si]3(CCCC3)CC2)c1C#N 2161329575 SJWJUGBOZAKBSB-UHFFFAOYSA-N 284.479 4.684 30 10 CJEE CCCCCCCCC[C@@H]1NC2(CO1)CC1(CCC1)C2 2163532962 OBIKHMPGROXCKH-MRXNPFEDSA-N 279.468 4.776 30 10 CJEE C#CCC[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)o1 2164104006 DXPXZBYYLVLHQN-OAHLLOKOSA-N 287.790 4.664 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc2c(c1)CCCC2 2164459714 GOMNNOYPPFXJHW-IBGZPJMESA-N 272.432 4.893 30 10 CJEE CCCCCCCCCC[C@@H](NCC)C1=CCOCC1 2164516879 WBKVQTGJCVOBBA-GOSISDBHSA-N 281.484 4.842 30 10 CJEE N#Cc1cc(NC2CC3(CCCCCC3)C2)ccc1F 2164739333 CKFQLCCFVQHJFL-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE C#Cc1cccc(N[C@@H](C)C2CCC(C(C)C)CC2)c1 2168404027 LFXULIIFVFCNGL-ZLPCBKJTSA-N 269.432 4.931 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2CCCC3(CCC3)O2)C1 2168549255 VGMJGCFHOVFLJL-WBVHZDCISA-N 275.436 4.978 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)[C@@H]2CCCC(C)(C)C2)C1 2168614700 QHVTZPUFHIVUKZ-KONPQCLYSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@H](NC)c1cncc(C(C)(F)F)c1 2171092050 IUGPLCKCQRWCKK-HNNXBMFYSA-N 282.378 4.590 30 10 CJEE CCSc1cccc(NC[C@@H](CC)C(C)(F)F)c1C#N 2171913292 AEVQQVABUYDKBR-LLVKDONJSA-N 298.402 4.764 30 10 CJEE CC(C)(C)C[C@](C)(O)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2181672521 YLBRJIMUYYRXNU-KDOFPFPSSA-N 280.452 4.515 30 10 CJEE C(#CC1CCCCC1)CNCCC12CCC(CC1)CC2 2184901045 GOUKWIWEEHGXHW-UHFFFAOYSA-N 273.464 4.520 30 10 CJEE C[C@H]1Cc2ccccc2[C@H]1Nc1ccc(Cl)c(C#N)c1 2185470074 FKEQZPQJYMURAC-GTNSWQLSSA-N 282.774 4.557 30 10 CJEE CCC[C@@H]1CC[C@@H](CNCC)[C@H](CC#C[Si](C)(C)C)C1 2187469200 XBGGXJZUADZVIU-KURKYZTESA-N 293.571 4.699 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@H]1[C@@H]2COC[C@@H]21 2188899531 ZAXYXUFFISGEMG-TVFCKZIOSA-N 282.468 4.551 30 10 CJEE C=CCOc1ccc([C@H](C[C@H](C)C(C)C)NCC)cc1 2189315597 PSHBJHZLCRCVHJ-YJBOKZPZSA-N 275.436 4.584 30 10 CJEE CCCCCCCCCC[C@H](NC)C12CCC(CC1)O2 2192036115 ABCFLZBKBSVBJD-ADKAHSJRSA-N 281.484 4.817 30 10 CJEE CCC[C@H]1CC[C@H](CN(C)C[C@@H](C#N)C(C)(C)C)CC1 2192820348 HPTVBDGLTUXTMH-BRWVUGGUSA-N 278.484 4.711 30 10 CJEE CCC1CCC(C[C@@]2(C#N)C[C@H](OC)C23CCC3)CC1 2193065672 NCFFNBLSXDGEKR-GQGLESIBSA-N 275.436 4.692 30 10 CJEE CC#CCCCC[C@H](NC)[C@H]1CCC[C@@H](C(F)(F)F)C1 2196169605 HZDVRZNUHYHYDI-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCCCCN(C)[C@@]1(CN)CCCCC[C@@H]1CC 2196734794 OTROXFJWTRYODR-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCN(C)[C@]1(CN)CCCC(C)(C)CC1 2196735572 YHCADWGQPDSJJJ-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2196852593 CAZQEPVMIJIJOF-VHPHOLNESA-N 275.480 4.621 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)C1(C)CCCCC1)C1CC1 2196858336 ZGXKLWYJGIKPOE-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@H]1CCCC(C)(C)[C@@H]1NCCC 2197153071 WXQHHPFZOAHXMQ-QZTJIDSGSA-N 271.448 4.894 30 10 CJEE C=C(C)CC[C@H](C)N=c1[nH]nc(C2CCCCCC2)s1 2204979666 LFOWLTNGBPISIX-ZDUSSCGKSA-N 293.480 4.555 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H]1CC[C@@H](CC)C1 2206172767 OOQPIAOMDYDMFP-FGTMMUONSA-N 282.516 4.575 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1NC 2207405537 YAHWSRNLVCKDAF-FUHIMQAGSA-N 299.439 4.894 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CC[C@H]2CC[C@H]1O2 2207437786 NNMFHCKYVZFHPU-KURKYZTESA-N 280.452 4.756 30 10 CJEE C=CCCCCCCCCCOC[C@@H](N)C1CCCC1 2207440229 YHYGZKRPIUPDDR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cncnc1C 2207441146 GPEKJJFTQFYHQU-QGZVFWFLSA-N 276.424 4.515 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1CC(CC)C1)NC 2207448335 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2227290992 MQOKUWWYJULVTI-KRWDZBQOSA-N 268.441 4.659 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)Cc1ccccc1 2227517161 HXYLWSSKISGOFN-IBGZPJMESA-N 279.449 4.760 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(Cl)c(OC)c1 2227587336 JWALEKRAQXTMAR-ZDUSSCGKSA-N 283.843 4.970 30 10 CJEE CC1(CC2(C=O)CCCCC2)CC2(CC(F)(F)C2)C1 2230585729 DWGRRLCFQXAAOG-UHFFFAOYSA-N 270.363 4.742 30 10 CJEE C=C[C@@H]1CCCCN1C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2230675424 ZRDJXCAJQYBYAS-BRSBDYLESA-N 261.453 4.633 30 10 CJEE Cc1ccc(C#N)c(SCCCCCCC2CC2)n1 2231073586 TWAOYFMLVKIMLL-UHFFFAOYSA-N 274.433 4.714 30 10 CJEE CCCCCCCCCCCO[C@@H]1CCCC[C@@H]1N 2231080693 RQZMFOUZZJIAQY-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H]1CCO[C@@H]1C 2231927652 CEDNQFRVNHXJOM-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NC)C(C)(C)CC 2231934267 GCXZNGYUYLLHJX-NVXWUHKLSA-N 271.489 4.512 30 10 CJEE C=CC1(C[C@H](N)[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233647599 BPIWFJFKJKITLL-XGUBFFRZSA-N 283.406 4.522 30 10 CJEE C=C([C@@H](NCCC)[C@H]1C[C@H]2CCC[C@H](C2)C1)C(F)(F)F 2233657979 SITDFDSMWMWYQG-LXTVHRRPSA-N 289.385 4.690 30 10 CJEE CC(=NO)c1ccccc1OCCCCCCC1CC1 2234159509 GOIYCXFZUKLSFH-UHFFFAOYSA-N 275.392 4.624 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1ncc(C#N)cc1C 2234437972 MPKZCRPBNFSFIJ-QGZVFWFLSA-N 274.408 4.636 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C(F)(F)C12CCC2 2235523273 DGIMHVKNQJEYIY-CABCVRRESA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@@H]1C[C@@H]1C(C)(C)C 2235535908 RGMRANXSNAUVGA-HLLBOEOZSA-N 280.452 4.515 30 10 CJEE C=CCCCCCCCN(CC)[C@H](C)c1ccncc1 2235539527 PPAQWMCMTCAZMF-QGZVFWFLSA-N 274.452 4.991 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@]1(C)C=CCN1 2237103264 PVNPJEXOEIAHGA-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ncccc2C(C)C)C1 2239410634 KMQWWRJJBHTWMR-QAPCUYQASA-N 273.420 4.533 30 10 CJEE C=C[C@H](CC)O[C@@H]1CCCCCCCC[C@@H]1NCCC 2239480772 FPOKZIDYPGQCRV-FGTMMUONSA-N 281.484 4.839 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)[C@@H](O)c1ccc(C)cc1 2239486978 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C=C(C)CCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2259214055 YBOZQIONJAMRKF-HZMVEIRTSA-N 250.426 4.700 30 10 CJEE C=C(C)CCCC[C@@H](CCCc1cccs1)NC 2259231720 OLSWRMIXZASUIA-HNNXBMFYSA-N 265.466 4.795 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CC(C)(C)CCC1(C)C 2261395487 OVQJLYXTCPNBAO-CABCVRRESA-N 251.458 4.926 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](C)OCC 2263718023 NBPXNIKNNVJPFJ-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=CC1(CNCC[C@H]2CCC[C@@H](C)C2)CCCCC1 2265097445 OLNXUAKOVRSJTK-IAGOWNOFSA-N 263.469 4.929 30 10 CJEE CC1(C)C[C@@H]1CSc1ccc(C(F)(F)F)c(C#N)c1 2265216852 RWOSQJHPNHCXKU-SNVBAGLBSA-N 285.334 4.715 30 10 CJEE CCCCCCCCN(C)c1sc(C=O)c(C)c1C 2265884578 SZGLVZHCQUPMAJ-UHFFFAOYSA-N 281.465 4.974 30 10 CJEE CO[C@H](CSc1ccc(Cl)cc1C#N)C1CCCC1 2268660692 QFYFBBQKDBNBEO-CQSZACIVSA-N 295.835 4.509 30 10 CJEE C=CCCCCCCCN(C)C1C[C@H]2C=C[C@H](C1)C2 2270260581 QFNASHCREOWOEZ-IRXDYDNUSA-N 261.453 4.800 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCC12CCC2 2271710076 FMXSGVBYNHYEDH-RHSMWYFYSA-N 263.425 4.692 30 10 CJEE C=C(C)CCCC[C@H](N)[C@H](C)Oc1cccc(Cl)c1 2271785436 MYPFSMVFCIWWQL-BBRMVZONSA-N 281.827 4.571 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1CNCC 2271838041 ANIJCUUUJKXIEO-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CCCN[C@H]1CCCCC[C@H]1CC#CC1CCCC1 2274120289 IHQOLRMCARVNBO-ROUUACIJSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)C(C)C)OCCCN 2276775493 FKHQEXKOQCAMJE-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE C=CCCC[C@H](OCCCN)c1cc2sccc2s1 2276903472 YXLDEAPXKDQDLY-LBPRGKRZSA-N 295.473 4.726 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC[C@H](C(F)(F)F)C1 2279733392 ZHVQKTCZSUYUIJ-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE Cc1cc(N[C@H]2CCC[C@H](C(C)C)C2)cc(C)c1C#N 2280570363 LWGJKODSSAJDFV-HOTGVXAUSA-N 270.420 4.802 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)C1CCC(F)(F)CC1 2284077380 SYZKUAQVOJWCRE-MRXNPFEDSA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1scc2c1CCCC2 2284113856 USIPYCFLGZLFNB-UHFFFAOYSA-N 286.440 4.805 30 10 CJEE CCCC#CCOc1cc(C)c(Cl)cc1[C@@H](C)NCC 2286476335 ALPQJQRMMMRUKD-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@](C)(O)CCCCCCCC 2287371052 YFPWHUMOHMOFGJ-ROUUACIJSA-N 283.500 4.952 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@]1(C)CC=C(C)CC1 2289687010 JXXZYPKESPOPBB-MOPGFXCFSA-N 273.464 4.685 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@]12CCCC[C@@H]1CCC2 2289785345 KKEGRYQYGXAECJ-GUDVDZBRSA-N 273.464 4.519 30 10 CJEE CN[C@H](CC#CC1CCCC1)[C@@]12CCCC[C@@H]1CCC2 2289866594 JPSWZAZXPJGWCU-GUDVDZBRSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@@]1(OCCC(=O)O)CC[C@@H]1C 2290579158 LSIRRGIMYDQZRW-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@]1(OCC(=O)O)CCCC[C@@H]1C 2291306133 IEUMWPOIGCZWST-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@H](C)C1(OCC(=O)O)CCCCCCCC1 2292312726 MIGVCRLTWZTREA-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C[C@@H](C)C[C@@H](C)C1 2292891088 GHXKBMMMRJLAQE-BCDXTJNWSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)OCCN 2293255829 YTYLNCFZPSMEJS-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE C=C(C(F)(F)F)[C@](C)(CCCCCCC)OCCCN 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CCCCCCCCC[C@](C)(SCC)C(=O)O 2306927141 QFNOMGCNWBTFEE-AWEZNQCLSA-N 260.443 4.724 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]2CC[C@H]1C2)NC 2312954250 NNTWLMNTIZROCK-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC[C@H]1NCC 2313652313 VQLPSBCUNDCRQS-CVEARBPZSA-N 267.482 4.551 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@H](SC)C1 2314274230 XIBOKBOPQWGMIG-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccccc1SC 2316730834 LKWLGWOBNYQWJD-CYBMUJFWSA-N 261.434 4.580 30 10 CJEE CCCCCCCN(C)CCc1ccccc1Cl 2316809229 KVZXBBUUIUQYBC-UHFFFAOYSA-N 267.844 4.785 30 10 CJEE CC#CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2317058901 ZDHCSFQVTKQNNF-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C=C1CCC(CC(=O)c2cc(OC)c(Cl)s2)CC1 2317956755 DEKRCBINLMCBBP-UHFFFAOYSA-N 284.808 4.729 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C1(Cl)CCCC1 2318311479 NJRHRHCPGSMKIR-JTQLQIEISA-N 283.202 4.564 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCC(C)(C)C1 2319061558 MAPHMOLMAPZJAN-PBHICJAKSA-N 251.458 4.783 30 10 CJEE 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XETSRETXGKMMIB-ZDUSSCGKSA-N 272.310 4.650 30 10 CJEE N#C[C@@]1(CCC2(C(F)(F)F)CC2)CCCC(F)(F)C1 2344790473 XDEFASIXLXQMBU-SNVBAGLBSA-N 281.268 4.828 30 10 CJEE C#CCCCCCCCOc1sc(C=O)c(C)c1C 2353002748 RUHLUDRWUZRYDU-UHFFFAOYSA-N 278.417 4.530 30 10 CJEE SC[C@@H](COC(CC1CC1)CC1CC1)c1ccccc1 2360198125 CPKICPSPUUNLIN-QGZVFWFLSA-N 290.472 4.685 30 10 CJEE C=CCC(CC=C)OCc1cc(CNCC(C)C)cs1 2360215098 QSFUOTTZNAJBGQ-UHFFFAOYSA-N 293.476 4.531 30 10 CJEE Cc1cn2c(CC#N)c(-c3ccc(C(C)C)cc3)nc2s1 36256890 CPGHXCLNTUBMPX-UHFFFAOYSA-N 295.411 4.561 30 10 CJEE CC(C)c1ccccc1Nc1ccc(C#N)cc1F 36886486 BXUKHHNWQOGVOW-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)CCC2CCCC2)cc1 36931474 LSNHTYQIOBIEKL-GOSISDBHSA-N 283.415 4.957 30 10 CJEE CCc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 37306409 AAWJDZLKJSVNRF-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE Cc1ccccc1[C@H](C)Nc1ccc(C#N)c(Cl)c1 37393247 JZEGEDYCJNWNSP-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@@H](C(=O)CC1CCCC1)c1ccc(Cl)c(Cl)c1 50039031 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YMXJGQPCCSYWPK-UHFFFAOYSA-N 285.435 4.704 30 10 CJEE CC(C)c1ccc(CNc2ccc(Cl)cc2C#N)cc1 110521513 IHCIKVGIPSAXAH-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE CCCCCCCOc1cc(C)ccc1/C(C)=N/O 110962723 OSHKWRUFBLIXIZ-SAPNQHFASA-N 263.381 4.542 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(Br)cc1 111817265 IPKMXPRBZYTLSC-HNNXBMFYSA-N 299.252 4.713 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OC)cc1C 115062565 RJZGEOBFOGYUGB-KRWDZBQOSA-N 263.425 4.754 30 10 CJEE Cc1cc(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1C#N 126902517 IXDVOWYTOZQAAQ-MORSLUCNSA-N 271.404 4.706 30 10 CJEE CC(=O)c1ccc(C#N)cc1Sc1ccc(C)c(C)c1 131385367 KOTDPGRXRKINCY-UHFFFAOYSA-N 281.380 4.529 30 10 CJEE CCCCCCCCC(=O)c1snnc1C(C)C 135448817 RHRVRCFRXLSVHK-UHFFFAOYSA-N 268.426 4.595 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(C)nnc1CC 135558247 YELRKAJMJRMNDA-GOSISDBHSA-N 292.467 4.912 30 10 CJEE C=C(CC)C[C@H]1CCCCC[C@H]1CNC(C)(C)C 155854859 VIHTXISWUIZREL-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 162624154 AVTMEKAONFIJCP-QMTHXVAHSA-N 281.808 4.638 30 10 CJEE CC[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 164475756 BCMRZLLOZKHQBK-GFCCVEGCSA-N 296.336 4.594 30 10 CJEE Cc1ccc(N/N=C/c2c(C)[nH]c3ccccc23)cc1C 169876803 MAJTVZJLFNDFSO-YBFXNURJSA-N 277.371 4.539 30 10 CJEE CCCC[C@@H](CC)COC(=O)Nc1oc(C)c(C)c1C#N 170500445 CWRJGGBQOUXJRC-CYBMUJFWSA-N 292.379 4.533 30 10 CJEE CCCCCCCCCCNc1nccc(OCCC)n1 226651733 VDHFCXVUSLPOLZ-UHFFFAOYSA-N 293.455 4.818 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)CCCOC 226714486 LLLDQQVQNWZCOG-QGZVFWFLSA-N 299.499 4.620 30 10 CJEE C=CC[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 227527390 CLHIOULQUXVOHG-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(OC)c1F 229052281 KIJKKZPBZNKWPQ-OAHLLOKOSA-N 281.415 4.845 30 10 CJEE C=CCCC[C@@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229378288 YVPFDWDGUBZDIS-UPMGZUDPSA-N 275.480 4.927 30 10 CJEE CC(C)(C#N)CCCCO[C@H]1CCCc2ccccc21 232517839 DNGRBBVQNSDDEO-KRWDZBQOSA-N 271.404 4.801 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1ccc(Cl)cc1 232936774 GTNPSTSTZCEVIH-MRXNPFEDSA-N 268.828 4.994 30 10 CJEE C=CCCCN(C)c1ccc([C@@H](CC)NCCC)cc1 233163709 GRCSNNDRNCSTJM-GOSISDBHSA-N 274.452 4.540 30 10 CJEE C=CCCCCC[C@@H](Cc1c(F)cccc1Cl)NC 234426208 SSYBRUGPOUYMLD-ZDUSSCGKSA-N 283.818 4.746 30 10 CJEE Cc1cc(Cl)ccc1C(=O)[C@@H](CC#N)c1ccccc1 235775466 XVXLBDYTTCAHAR-INIZCTEOSA-N 283.758 4.529 30 10 CJEE CCCC1CCN([C@@H]2C[C@@H](CCC)CC[C@H]2C#N)CC1 251329194 LBFQOPOARWZAKV-OKZBNKHCSA-N 276.468 4.607 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)[C@H]1CCCCC[C@H]1C#N 251514324 JFKXAGZZUPAWIN-KMFMINBZSA-N 290.838 4.805 30 10 CJEE CC(C)(C#N)C[C@H]1Cc2c(cccc2C(F)(F)F)S1 260311064 MWNLCOYAXRXXGS-SECBINFHSA-N 285.334 4.662 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCCC(F)(F)C1 302390741 PIUPNOXQZIAGIE-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE CCCCCCCCCCC[C@H](N)c1ccc[nH]1 310924421 KJCFYXNOFURSJL-HNNXBMFYSA-N 250.430 4.935 30 10 CJEE C[C@@H]1CCN(C[C@H](CS)C(C)(C)C)c2ccccc21 311331486 DDJCWFJZMQGJCX-ZIAGYGMSSA-N 277.477 4.592 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2c(F)cccc2Cl)C1 316642052 BBLXSCBOCQQPDO-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2F)C1 317396588 ZAIKVVLDQRIXNU-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CC[C@@H]1CCC[C@@H](C2(C=O)CCC(C)(C)CC2)C1 317424143 GHJZAGWKEBOQKU-HUUCEWRRSA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@@H](NCC)c1csc(C)c1 381365061 HYNXVRQTLPMQFH-OAHLLOKOSA-N 251.439 4.844 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(Cl)cc1Cl 385044398 PAEPUEOSGHJGRW-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H](CC)CC(F)(F)F 402646593 QVIXZKKBZSOHQP-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C#N)o1 431398566 FOKACAYLGDBQPN-UHFFFAOYSA-N 296.370 4.650 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@]1(C)CCOC1 687389165 NMWISBLIHWCWKG-SJORKVTESA-N 269.473 4.532 30 10 CJEE C[C@](C#N)(CC1CCCC1)Nc1ccc(Cl)cc1 689732721 SMTWTLNULARFLI-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn(C(C)(C)C)c1 690441519 BKFIANQOKFCKJB-MRXNPFEDSA-N 280.456 4.812 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CC1(F)F)NC 691205541 NDGACZVCEVZHET-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@@H](CNC(C)C)C1CCOCC1 696846507 UHGAQBWABRHSDD-SFHVURJKSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(C(C)C)CC1 697605647 XMFZEGYEVGLQCA-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H]2CCCCC[C@H]21 708310270 KXHHEOLCWGIADG-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE CC[C@@H](CC(=O)[C@@H](C#N)c1ccccc1Cl)C(C)(C)C 711153566 DWSBAZQEPQHLMC-JSGCOSHPSA-N 291.822 4.979 30 10 CJEE Cc1ccc(C(F)(F)F)cc1C1=CC(=O)CCCC1 713289156 OPCSKMGDQUBFCP-UHFFFAOYSA-N 268.278 4.540 30 10 CJEE C=CC[C@H](C)Sc1cccc([C@H](C)NCCC)c1 715755202 IDZOSWJXYXDFON-KBPBESRZSA-N 263.450 4.804 30 10 CJEE CCCCCCCCCCn1cc(N)c(C(F)F)n1 716638132 RHAHOJUJSLSKDS-UHFFFAOYSA-N 273.371 4.544 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)CO1 718398236 RXYLCLKUONHXEW-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE COC[C@H](CC1(C#N)CCCCCCC1)C(C)C 721754041 RBSFCNCPZUTWIB-HNNXBMFYSA-N 251.414 4.549 30 10 CJEE C=C1CCC(C[C@@H](CCCSC)NCCC)CC1 724591711 BBGHLXPICLEPSS-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C[C@](C#N)(Nc1cccc(C(F)(F)F)c1)c1ccccc1 725237419 GMDAUNKVMOANFC-OAHLLOKOSA-N 290.288 4.556 30 10 CJEE CC[C@H](C#N)c1ccccc1OCc1ccccc1Cl 725424761 SCKLBQOEMHQYRY-CYBMUJFWSA-N 285.774 4.936 30 10 CJEE C#CCCCCCCN[C@H](C)CSc1ccc(C)cc1 1180970153 OTFINUCCPQJGNU-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE C#C[C@@H](NC1CCC(CC)CC1)c1ccc(Cl)cc1F 1181697965 QDYNXNZYYBWAAQ-MKTAYPAQSA-N 293.813 4.712 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1181880459 WHLHTIKTBBEVCI-HZPDHXFCSA-N 297.364 4.897 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc([C@H]2CCOC2)cc1 1182061462 FPZYQFFATYDACK-RDJZCZTQSA-N 273.420 4.737 30 10 CJEE C=CCCC[C@H](NC[C@H]1CC1(Cl)Cl)c1ccccc1 1183551391 QTXJZLPKCVWHGZ-CABCVRRESA-N 298.257 4.867 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc(CCC)c1 1202797630 NEGIJVCQPQBHNY-NRFANRHFSA-N 293.454 4.916 30 10 CJEE C=CC[C@H]1CCN(CCCc2c(Cl)cccc2Cl)C1 1206798669 BOUFCDFBXYKCJF-ZDUSSCGKSA-N 298.257 4.824 30 10 CJEE C=CCN(CCSc1ccccc1)CCc1ccccc1 1307445329 ZKXXXKXLFJGUHU-UHFFFAOYSA-N 297.467 4.509 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]2COCC[C@H]21 1307582491 FLPZLTPRZBFSSX-QZTJIDSGSA-N 281.484 4.628 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CCCC[C@H]2CCC)c1 1308245053 UABJPGXJFFZMAG-IEBWSBKVSA-N 287.447 4.700 30 10 CJEE C=C[C@](C)(CC)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1459682214 OVJXREOJBNTYEZ-HNAYVOBHSA-N 285.431 4.765 30 10 CJEE CCC1(CC)CCC(Nc2cccc(C#N)c2)CC1 1461383166 UUWWZMUDNKERSB-UHFFFAOYSA-N 256.393 4.719 30 10 CJEE C#Cc1ccc(NCc2cc3cc(C)c(C)cc3o2)cc1 1461818277 YOQHEIISPHYZOC-UHFFFAOYSA-N 275.351 4.643 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)Cc1ccc(C)cc1 1462334095 QAHVIRUXAWXMGV-NQIIRXRSSA-N 293.454 4.703 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 1474445894 MLOUUSRUMATGTI-LZWOXQAQSA-N 269.388 4.828 30 10 CJEE C=C(C)CCC(=O)Nc1cc(Cl)ccc1SCC 1521179279 CGLAOEVKZYPFBI-UHFFFAOYSA-N 283.824 4.747 30 10 CJEE C=CC[C@@H](CC)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 1524475123 NWXUCQJHRBVCPL-CVEARBPZSA-N 293.838 4.695 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C 1527714093 DYANFIUEZWFAKA-ZJPYXAASSA-N 291.479 4.702 30 10 CJEE C=CC[C@H](C(=O)NCC[C@@H]1CCCC1(C)C)c1ccccc1 1533158099 CYIGNOLDEYOTAX-ROUUACIJSA-N 299.458 4.679 30 10 CJEE C=CCC1(CNC(=O)C(C)(C)c2ccccc2C)CCCC1 1540084872 KAZLXPQLEUTRAT-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C#C[C@H]1CC[C@H](Nc2cc(C(C)(C)C)nc(C(C)C)n2)CC1 1559271843 VLHVIRJMOVXJIR-SHTZXODSSA-N 299.462 4.501 30 10 CJEE C=C(CC)CN(Cc1cccs1)C1Cc2ccccc2C1 1559833883 OSDZYFKEFYBGLB-UHFFFAOYSA-N 297.467 4.684 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 1560853464 ZFRMJCQHQWWFIE-MJBXVCDLSA-N 263.812 4.735 30 10 CJEE C=C[C@H](C(=O)N[C@H]1CCC[C@@H]1CCC(C)C)c1ccccc1 1584736061 HEFWOTNFPFCONH-QYZOEREBSA-N 299.458 4.677 30 10 CJEE C=CCC(CC=C)C(=O)Oc1cccc2sccc12 1584968979 ACTRUUKDLLPIFU-UHFFFAOYSA-N 272.369 4.575 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(Nc2ccccc2)c1 1585192283 RPOVUQOKYCUHAY-LJQANCHMSA-N 294.398 4.971 30 10 CJEE Cc1cccc(C#Cc2ccc(Cl)c(Cl)c2)c1 1614730972 UGRVECZUBSXYRY-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(CCCCC)cc2)C1 1623998136 CRSLTROKBRZGFA-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=C[C@H]1CCCCN1Cc1c(C)ccc2cc(C)ccc12 1642926106 CLHZUWYNVHWSMR-SFHVURJKSA-N 279.427 4.997 30 10 CJEE C=CCCCN1CCCCC[C@H]1/C=C/c1ccccc1 1644937305 SSVXNYTVROCSKC-IQGVVSCOSA-N 269.432 4.911 30 10 CJEE C=CCCCCCN[C@H](C)c1cc(Cl)ccc1F 1645033158 VTQDYMAKDAPRNJ-GFCCVEGCSA-N 269.791 4.876 30 10 CJEE C#Cc1ccc(NCc2ccccc2-c2ccccc2)cc1 1651655782 OIRQZJOGDWEWOH-UHFFFAOYSA-N 283.374 4.947 30 10 CJEE C#CCCCCCCSc1ncc(-c2ccccc2)n1C 1651686440 SYRSEFHYHUGBOH-UHFFFAOYSA-N 298.455 4.763 30 10 CJEE C=CCC[C@H](C)N[C@H]1c2ccccc2CCC[C@@H]1C 1652120226 JGFBKAPQLIIUFD-RLFYNMQTSA-N 257.421 4.644 30 10 CJEE C=CCCCCCSc1ccc(Br)cn1 1652619170 HBPREBQTFDFZKJ-UHFFFAOYSA-N 286.238 4.683 30 10 CJEE C#Cc1ccc(NC[C@@H]2CCCC[C@@H]2C)c(Cl)c1 1653184925 QTUZMGKSOKBMIF-JSGCOSHPSA-N 261.796 4.560 30 10 CJEE CCCCCCCN1CCC(OC2CCCCC2)CC1 1654649724 IXLRUAQVDKDDLP-UHFFFAOYSA-N 281.484 4.771 30 10 CJEE C=CCCC[C@@H](NCCC1(OC)CCC1)c1ccccc1 1655463579 RGJYUNURMLJNCD-GOSISDBHSA-N 287.447 4.633 30 10 CJEE C#CCC1(NC[C@@H]2CCCC(C)(C)C2)CCCCC1 1657031636 SANBYHUNUPABBP-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE C=CCCCN1CCC[C@@H](CCCc2ccccc2)C1 1657853213 IUWDBAIEXIWZOL-LJQANCHMSA-N 271.448 4.688 30 10 CJEE C=C(C)[C@H](NCCC(C)(C)C1CC1)c1ccc(F)c(F)c1 1658327060 KJFQKAOQHVIKMN-KRWDZBQOSA-N 293.401 4.998 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCc1ccc(C)cc1 1659400658 FJZFKXDHQCKDSD-MOPGFXCFSA-N 271.448 4.652 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 1659665124 YWWOVFHOWVRRDX-GVDBMIGSSA-N 293.495 4.837 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 1664483378 JGNLOWKRVWLZMM-IUODEOHRSA-N 285.353 4.581 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 1683888184 MZXSCEWLUZKASO-YESZJQIVSA-N 294.483 4.635 30 10 CJEE Cc1cc(Oc2cc(C#N)cc(Cl)n2)c(C)cc1Cl 1878907843 IPQNZGAAOMCXBL-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](CCC)COC 1879025966 KOALCCXXMNSCDA-SJORKVTESA-N 271.489 4.778 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CCCC(F)(F)C1 1886638685 DUGIQBJIEKGUTG-KRWDZBQOSA-N 293.401 4.890 30 10 CJEE CCCCN(CC1(C#N)CCCCC1)C1CCCC1 1888763345 ZNUTZUGKGMBQDQ-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1csc(Cl)c1 1903146603 WYKRFFJPQZPWIS-LBPRGKRZSA-N 257.830 4.654 30 10 CJEE CC(C)[C@@H]1CCCC(=CB2OC(C)(C)C(C)(C)O2)CC1 1911601917 WVMOHPHNVAWUAB-OAHLLOKOSA-N 278.245 4.781 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cccc(SC(F)(F)F)c1 1912927754 XXJAMGNSFDQMKG-SKDRFNHKSA-N 276.323 4.544 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCC3(CCCC3)C2)C1 1916400571 SDHMDNHUXXDIPO-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCC2(CCCC2)C1 1916485320 MRISMNDQLDMPQT-OAHLLOKOSA-N 288.822 4.761 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc2[nH]ccc2c1 1919911059 VUMOLADAVBLNLY-KRWDZBQOSA-N 259.393 4.736 30 10 CJEE C=CCOc1ccccc1[C@@H](O)CCC[C@H]1CC1(C)C 1920023950 VATSHDVQFGERLW-HOCLYGCPSA-N 274.404 4.501 30 10 CJEE 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CC#CCCC[C@H](NCCC)c1scc2c1CCCC2 2194068567 WCXGCTGEKDLQGQ-KRWDZBQOSA-N 289.488 4.861 30 10 CJEE C[C@H]1C[C@](C#N)(CC2CC3(C2)C(F)(F)C32CC2)CCS1 2195066695 XDKULLXSPZRELY-SDFYHXNISA-N 297.414 4.627 30 10 CJEE CCCCCCCCCN1CCC2(CCC2)CCC1=O 2195537034 KEKRAVYFNKPOMT-UHFFFAOYSA-N 279.468 4.920 30 10 CJEE CCCCCCCN(C)[C@H](c1ccc(C)s1)[C@H](N)CC 2196730399 VVPWFDZMAIIXLS-WBVHZDCISA-N 296.524 4.737 30 10 CJEE C#CC[C@@H](C[C@H](NCC)C1CCC(CC)CC1)C1CC1 2196860134 YBMXWXZHRNZJLU-FYOYPEGLSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H]1CCC[C@@H]1C(C)C 2197139882 NFOIOGPORFHECM-QYZOEREBSA-N 271.448 4.750 30 10 CJEE C=CCCC(C)(C)Nc1ccc([C@@H](F)C(F)(F)F)cn1 2199302241 MGEBDDSWZKZCSC-GFCCVEGCSA-N 290.304 4.811 30 10 CJEE CCCCCC#CC[C@@]1(CNC2CC2)CCC12CCC2 2203809420 GFALXUMZJCRTSY-IBGZPJMESA-N 273.464 4.663 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 2203821749 GAXVCGNTNFNDES-ZRSRNVLSSA-N 275.480 4.621 30 10 CJEE CCCCCC#CC[C@H](NCCC)c1ncc(CC)s1 2203831359 CIQRSBXINFXFQC-INIZCTEOSA-N 292.492 4.720 30 10 CJEE N#Cc1ccc(N[C@H](C(F)F)C2CCCCC2)c(Cl)c1 2204077733 AFPRIBWTKNXMTA-AWEZNQCLSA-N 298.764 4.838 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@]1(O)CCCC(C)(C)CC1 2206903524 SULZNXJIDHFLCU-SJLPKXTDSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCCC1(C)C 2207382548 SVFGZUCSXWURMK-GOSISDBHSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@](O)(CC)C(C)C 2207393211 UYCIVHHUCIODLE-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@H]1Cc2ccccc21 2207403657 PAKSGGAYAPBQKC-RBUKOAKNSA-N 272.432 4.994 30 10 CJEE C=CCCCCCCCCCOC[C@H]1CCCCNC1 2207410371 QRGKOTDHMXQGFI-SFHVURJKSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCCOC1(CCN)CCCCC1 2207412037 FCKCBXGWNIFMKD-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCCCCCC1(CN)C[C@H](C)O[C@@H](C)C1 2207416070 VSLKMAMXIKUNNV-IRXDYDNUSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cncn1CC 2207431486 GEEONFBYTOLUQR-QGZVFWFLSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CO[C@@H](C(C)C)C1 2207436668 LOYIAAPBKLUUTD-MSOLQXFVSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCNCc1cc(OC)ns1 2207439603 BNNIEBCUSZXXFL-UHFFFAOYSA-N 296.480 4.548 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCC(C)(C)C)NCC 2207453259 KZJNPHQTTDPEEC-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H]1CC[C@@H](C)C1)NC 2207457986 ALENPAXLUOYPMD-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE C=C(C/C=C/c1ccccc1)COCc1ccccc1 2209170441 HRFUPDQBEFIVTH-RIYZIHGNSA-N 264.368 4.863 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 2218436208 WCAGOPDEWMLBKK-CQSZACIVSA-N 284.230 4.694 30 10 CJEE CC(C)(C)C#CCC(=O)Cc1cc(Cl)ccc1Cl 2218648123 LSKGGCZXEZGQAN-UHFFFAOYSA-N 283.198 4.545 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cc(Cl)ccc1Cl 2219207261 VKXZSBOMMHQYIK-DGCLKSJQSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCC(F)(F)C1 2220085072 BCAHPRQXOMREGN-CQSZACIVSA-N 260.368 4.844 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(CC)o1 2220768952 AQWLJBLDOKRXDZ-AWEZNQCLSA-N 251.414 4.681 30 10 CJEE C=CCC[C@H](C)N(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2222251638 KCNLZCIIJVWRQB-XHSDSOJGSA-N 251.458 4.878 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1C[C@H]2C[C@@H]1C2 2222286278 YGSFGCIVTZZVRT-VVLHAWIVSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCO[C@H](CCC)CNCC 2223192380 HCAFDXZZZZKHNP-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CC[C@@H](CCCCC(F)(F)F)CN[C@H](C)CC 2223556451 JGUYUBQKDAAAQM-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CC[C@@H]1C(F)(F)F 2224359578 BVWLKKFRKKNPEC-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=CCCCCCCC[C@H](NCCC)c1ccon1 2227268231 NVMYAMACQSEEFY-HNNXBMFYSA-N 264.413 4.632 30 10 CJEE C=CCCCCCCCC1(N)CC2(C1)CC21CCC1 2227268515 QJXVUUUZEIWAHW-UHFFFAOYSA-N 261.453 4.955 30 10 CJEE C=CCCCCCCCNC[C@H]1C[C@]1(C)C(F)(F)F 2227270485 GHNJPBZMFRWCCI-KGLIPLIRSA-N 277.374 4.691 30 10 CJEE C=CCCCCCCCN(CC(F)F)CC(F)(F)F 2227283333 ZJUAIWQEQZVULH-UHFFFAOYSA-N 287.316 4.642 30 10 CJEE C=CCCCCCCC[C@H](N)C1C[C@@H]2CC[C@H](C1)S2 2227284349 HNJSQUHXIIQSAP-HMQMGEFJSA-N 281.509 4.905 30 10 CJEE CCCCCCCC[C@H](NC)c1nc(C)ccc1F 2229641683 DMBVAUVUVYEOIU-HNNXBMFYSA-N 266.404 4.540 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)CC(C)C 2231078416 HBZGCXJIXDYSTF-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1cccc(Cl)c1Cl 2231493898 WLWDANDLBFHYHK-INIZCTEOSA-N 298.257 4.870 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cccc(Cl)c1C 2231518974 UCDGPBUEVDKGJG-GUYCJALGSA-N 279.855 4.771 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCC[C@@H](C)O1 2231926170 RQBMTMKBHQHKIR-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCNc1cccc(C#Cc2cc(C)c(Cl)c(C)c2)c1 2232588982 KBMIQVHAPCHQOM-UHFFFAOYSA-N 283.802 4.788 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1 2233366428 OJLZNAUDCYLTOV-AAEUAGOBSA-N 295.785 4.728 30 10 CJEE C=C(C)CN(C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)C(C)C 2233732416 RASLQOKAWUYSNR-PHZGNYQRSA-N 285.422 4.735 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(CCCC)cc1 2234694910 JXFYUGQUNZYFKK-APWZRJJASA-N 271.448 4.728 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H](N)CC1CCCCC1 2235518212 DRKMWGKQKSJYHP-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@H](O)C12CCC(C)(CC1)OC2 2235527047 RATPOXGFXDZCDX-WWDZGPRUSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc2c(c1)NCC2 2235537871 FOVUFEUTXDUZQE-GOSISDBHSA-N 273.420 4.605 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(C)c(OC)c1 2235541834 LWZOKEDTADGFAZ-KRWDZBQOSA-N 275.436 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)c1nccnc1CC 2236610439 BTXRWCHOJQEZEK-OAHLLOKOSA-N 277.456 4.570 30 10 CJEE CCCCCCCCCCn1ncc2cc(N)ccc21 2236772811 QNLOEDNKQPPXMX-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]2C[C@@H]2C1=O 2237181858 MICXESLRFWGASB-SJORKVTESA-N 279.468 4.776 30 10 CJEE CCC[C@]1(C)CSC(=N[C@@H]2CCC[C@H](C(C)(C)C)C2)N1 2238170333 MTEDYSAZLCCWRW-JJRVBVJISA-N 296.524 4.843 30 10 CJEE CN[C@]1(C#N)CC[C@@H](SCCCCCCCC2CC2)C1 2239364531 DOMYVNIPFYZYAG-IAGOWNOFSA-N 294.508 4.504 30 10 CJEE CCCCCCCCCO[C@H]1CC2(CCC2)CC[C@@H]1N 2239450269 UTRPDFVSWYJZTI-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CC[C@@H]1CCC[C@H](C(=O)C#Cc2ccc(Cl)cc2)CC1 2239485444 WXBYOBYTDBZXGC-ZBFHGGJFSA-N 288.818 4.867 30 10 CJEE CCCCCCC[C@](C)(N)C#Cc1ccc(CC)cc1 2239645160 DMQSBWRZRJGQMZ-IBGZPJMESA-N 271.448 4.678 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C1CC(c2ccccc2)C1 2240190060 JRUUCJBTGAFGSJ-BJMVHTGZSA-N 271.448 4.761 30 10 CJEE CCCCCCCC[C@@](C)(O)C1(CN)CCC(C)CC1 2240620120 PSDJLPPVIJNNAG-LXPRWKDFSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCC=C(C)C)NC 2240643142 UOIFISWBPMFUTQ-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CC1(C[C@H](N)[C@@](C)(O)CCCCCCCC)CCC1 2240645333 SSBOMCAIJHQTAK-IRXDYDNUSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCCOC12CCC2 2240666172 KRQSBBCPSKPKRR-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1ccc(Cl)cc1 2240666441 MRKQUKLJQWDUHJ-IAGOWNOFSA-N 297.870 4.841 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2249740620 IIXVYGIWGJSDOL-YMTOWFKASA-N 272.219 4.775 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1cccc(Br)c1 2250159986 VISHAGGLWFRDOA-OAHLLOKOSA-N 297.236 4.793 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C#N)CCC(F)(F)C2)C1 2253915299 JMFZFTYQNATNEB-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE C=CCCCOC(=O)C=Cc1ccc(Cl)cc1Cl 2257418413 QUTNHTBRVRKTSL-UHFFFAOYSA-N 285.170 4.516 30 10 CJEE CCCCCCCCC[S@](=N)(=O)CCC1CCC1 2257849767 HGTHPMGHCYJQKD-SFHVURJKSA-N 273.486 4.974 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1CCCC(F)(F)CC1 2259199302 QRNIFZIQFLGDPM-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=CCC1(NCC[C@H](C)CCCC(C)C)CCC1 2259646289 KYKMDKHGQFIRCZ-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1CC(CC(C)(C)C)C1 2261204746 XEVPVDQUFYGAGA-SLTXQBBLSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CC)OC 2263717969 MRGUHNRMUDKGLF-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncc(C(C)(F)F)s1 2264502336 VOGNQLBCONLYGJ-WDEREUQCSA-N 286.391 4.802 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@@]2(C#N)CCOCC2(C)C)C1 2265052415 AKZQAHYWJBTCBZ-VYDXJSESSA-N 263.425 4.549 30 10 CJEE C#CCCCCC[C@H](NCC)c1csc(C2CC2)c1 2267861887 TURYPZQPTKHHLG-INIZCTEOSA-N 275.461 4.860 30 10 CJEE CCCCCCCCC[C@@H](O)c1c(C)cccc1N 2268231332 GTRJKXZPLDXJRO-MRXNPFEDSA-N 263.425 4.751 30 10 CJEE C[C@@H]1CCC[C@@H]([C@H](O)CC=CC#CC(C)(C)C)CC1 2268744774 BBRNFKCVHYOLNI-BRWVUGGUSA-N 262.437 4.560 30 10 CJEE Cc1cc(Cl)cc([C@@H](N)CC=CC#CC(C)(C)C)c1 2268763817 UOFOBZYMQWEAQL-INIZCTEOSA-N 275.823 4.644 30 10 CJEE C=CCCCCCCCSc1cc(C)ncc1C#N 2271515638 NMFDWIAFAXTNCO-UHFFFAOYSA-N 274.433 4.880 30 10 CJEE C=C(C)CCCCC(=O)C(CC)(CC)N(CC)CC 2271748406 UPYKAZGQKIVPGH-UHFFFAOYSA-N 267.457 4.593 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(C(C)(F)F)CCC1 2271786630 ZKVVAAHOKMVQRX-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ncoc1C(C)C 2271791956 QEACDOYNLZCFIQ-CQSZACIVSA-N 264.413 4.585 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cncc(C)c1 2271833443 PUYUHLPGLLLSJV-KRWDZBQOSA-N 260.425 4.567 30 10 CJEE C=C(C)CCCCN(C)Cc1cc(C(F)(F)F)cs1 2271839470 QVWYZDKWKKDIGI-UHFFFAOYSA-N 291.382 4.945 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]12CCCC[C@H]1CC2 2273338724 ZUGLYFGYAGYMLP-MAUKXSAKSA-N 258.405 4.522 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cnc(C(C)(F)F)s1 2273581298 FKQWBXFXGMBINT-NSHDSACASA-N 288.407 4.652 30 10 CJEE CCCCCCCCO[C@@H]1CCN[C@@H](C(C)(C)C)C1 2273635205 VYUUACFWVWRWNB-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C1CCCCCCC1 2274121233 LYJIKUAZSSRMQO-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H](C)CC(C)(C)C 2274135010 WHDDJPUZPQDXTB-DOTOQJQBSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(C#N)CC1(C)C 2278231969 AQVFDZZNTUXCOK-IRXDYDNUSA-N 265.441 4.818 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)CCO 2278236114 OMVZDXHAXATZOG-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE Cc1ccc(C#N)c(OCC[C@H]2CCCCC23CC3)c1 2279642329 DUIHRLUBYUYPOU-MRXNPFEDSA-N 269.388 4.606 30 10 CJEE C=C1CC(CC[C@H]2CCCC23CC3)(CNCC(C)C)C1 2281355927 HXENJGHLLYTQJT-QGZVFWFLSA-N 275.480 4.929 30 10 CJEE C=CCCCCCOc1ccc([C@H](C)NCC)c(C)c1 2283228248 QZDCDOCXDHQMGV-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCCC[C@H]1C(C)(C)C 2284100031 WPGCOXQXFYMODB-LPHOPBHVSA-N 275.480 4.916 30 10 CJEE C#CC1(N2CCCCCC2)CCC2(CCCCC2)CC1 2285985029 ZHKIGDLPZRGFOT-UHFFFAOYSA-N 273.464 4.759 30 10 CJEE C=CCN(CCCN(CCCC)CCCC)C(C)(C)C 2286786991 ATQIRSRICACIDV-UHFFFAOYSA-N 282.516 4.565 30 10 CJEE C=CCCCCCCCSc1nccc(C(=O)O)c1C 2287091834 YWWMOBZZTAKNBS-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=CCCCCCCCSc1nc(CCC)ncc1N 2287177330 HVUGLVKPVUTETD-UHFFFAOYSA-N 293.480 4.630 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@@H](C)C1(C)CCCCC1 2287676845 OXMHRRKSHRAIFM-WMZOPIPTSA-N 281.484 4.673 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cc(C)cnn1 2288805303 JUWJDUOKSPTVPM-QGZVFWFLSA-N 278.440 4.739 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CCCC12CC2 2289716737 XMXLMRYPRNUIMK-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CN(CC1(C#N)CCCC1)[C@@H]1CC(C)(C)CCC1(C)C 2290306389 GKBANFQRRCUKIZ-OAHLLOKOSA-N 276.468 4.607 30 10 CJEE C#CC[C@@H](C[C@H](CCC1CC(C)C1)NCCC)C1CC1 2290381136 IMMVPBZFRBPGDT-VHZYLWGESA-N 275.480 4.621 30 10 CJEE C=CCC[C@H](C)[C@](C)(CCC=C(C)C)OCCC(=O)O 2291003355 HOHOAIOTZMVPFA-RDJZCZTQSA-N 282.424 4.585 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)c1cc(C)c(C)s1 2291471433 DSIICEJTLBYABL-CQSZACIVSA-N 296.432 4.644 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)C1CCC1 2291634793 VMGUCXCLMNZZQA-GOEBONIOSA-N 284.440 4.643 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCC(=O)O)[C@H](C)CC(C)C 2292316536 TVBVJZSFAXVRIG-ZMSDIMECSA-N 284.440 4.521 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]1CCC)OCC(=O)O 2292506562 ZEHMRYXINVHSEO-HRCADAONSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCCC1(OCCN)CC(CCCCC)C1 2292782399 QMMKVQYSGKSLGS-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CC[C@@H](C)[C@@H]1C(C)C 2292796801 LRGFTXGPXFJURE-SQNIBIBYSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(CC#CC(C)(C)C)OCCN 2292899641 RMQHDYBOVBCXAF-GOSISDBHSA-N 281.484 4.521 30 10 CJEE C=C1CCC(C[C@@H](CC(C)(C)CC)OCCCN)CC1 2292901166 YJYPDQKCTCCPMI-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1csc(C)n1 2293437794 SMURWMKXJZMVOQ-MRXNPFEDSA-N 298.496 4.609 30 10 CJEE CCCCCCC[C@@H](C[C@@]1(C)CC1(F)F)OCCCN 2293594131 ZGUONLNVGBJRKU-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H]1C1CCC1 2293649232 QABQVYXLPIYYHX-ROUUACIJSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC(F)(F)C1 2293689466 YMSLTQDPHOAJLB-HNNXBMFYSA-N 291.426 4.660 30 10 CJEE CC#CCCCC[C@H](OCCCN)C(CCC)CCC 2293936378 PTAFXCJFCDPAEZ-SFHVURJKSA-N 281.484 4.521 30 10 CJEE Cc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2294300092 RETGEVSBUQLKDG-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE CCCCCCCC[C@@]1(OCCN)C[C@H]2CCC[C@H]1C2 2294594623 MHLRDFLSOOBCLT-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CCCc1nc2ccccc2n1CCCCCCCS 2294708808 JUXMNKUDCDFQES-UHFFFAOYSA-N 290.476 4.869 30 10 CJEE O=C1C=C(c2ccccc2-c2ccccc2)CCCC1 2294719715 SGKSMIAOEYGXFA-UHFFFAOYSA-N 262.352 4.880 30 10 CJEE NC1(C#Cc2ccccc2Cl)CCC2(CCCC2)CC1 2295215649 ZJVRXFQPFDFFHI-UHFFFAOYSA-N 287.834 4.523 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC(N)(CC)CC1 2295539717 XWIPJTPYHJTLPW-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@]12CCOC[C@H]1C2 2295604790 ZYUSTWJCWFNQPI-FGTMMUONSA-N 281.484 4.661 30 10 CJEE 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N#Cc1c(-c2ccccc2Cl)[nH]c(Cl)c1Cl 34331374 ZCXYAKALFWZTMR-UHFFFAOYSA-N 271.534 4.514 30 10 CJEE C=C(Br)CNc1ccccc1-c1ccccc1 37680897 RBPVYXUZZTUHMC-UHFFFAOYSA-N 288.188 4.674 30 10 CJEE CCC(C#N)(CC)CCOc1ccc2ccccc2c1 57714799 NEFADDUXGPOIDR-UHFFFAOYSA-N 267.372 4.939 30 10 CJEE CC(C)C(=O)c1ccc(SCc2cccc(C#N)c2)cc1 58016506 CAMKWSPKAYVFHP-UHFFFAOYSA-N 295.407 4.689 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)CCCc2cccs2)cc1C 61681990 UBGNGTYLZRFPPJ-QGZVFWFLSA-N 297.423 4.564 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2ccc(Cl)s2)cc1C 61682047 NMNRBOZFZXETRK-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE CC[C@@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 61891877 LZFLFBPLCUFBCT-KMUNFCNLSA-N 297.229 4.726 30 10 CJEE N#Cc1c(F)cccc1NCc1cc(Cl)ccc1Cl 87758705 XUVSHGRWSKMHCB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc([N+](=O)[O-])cc2Cl)C1 87996711 OJOCPWQYTFDVGJ-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE N#CC1(Sc2ccc(Cl)cc2)CC2(CCC2)C1 90244346 BKDWAXFQFMIRAH-UHFFFAOYSA-N 263.793 4.659 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2cc(C)sc2C)CC1 91884153 ZNJGMNZWXWKLCK-WIHSUSGWSA-N 291.460 4.899 30 10 CJEE CCN(CC1(CS)CCCCC1)c1ccc(C)cc1 94580481 HZRYAVGSTYSZJE-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE CCC#CC[C@H](C)c1ccc(OCCC)cc1CC 107661387 ACCNLDYHBMNTGJ-HNNXBMFYSA-N 258.405 4.945 30 10 CJEE CC[C@@H](C)[C@H](C(=O)C1=CCCCC1)c1ccccc1 110174743 RVVHXJHIJCDPRX-PBHICJAKSA-N 256.389 4.886 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2Cl)cc1C 110253381 PRYUBVBGHIUYPJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C[C@@H]1CCC[C@H](SCCCOc2ccc(C#N)cc2)C1 110354834 YXQQKJNUGZJROX-PBHICJAKSA-N 289.444 4.639 30 10 CJEE Cc1cccc(CSCCCOc2cccc(C#N)c2)c1 110354977 FDWGQGHSUQFHHT-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CC1(C)[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@]2(C)CC[C@@H]1C2 112938767 PTMLYZUQYDGBDJ-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](C)OCC 113051153 APQFYXYRQNTAEI-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@H](C)N(C)C1 127621434 JCUZRLMTFFJRII-ROUUACIJSA-N 283.500 4.753 30 10 CJEE Cc1ccc(NC2(C#N)CC(C)(C)CC(C)(C)C2)cc1 129800659 UGVHKPDLPXTPGQ-UHFFFAOYSA-N 270.420 4.906 30 10 CJEE CCCCCCC[C@@H](NCCC)c1csc(C)n1 139554613 MWTYFFQJOSMCEY-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CCSC1 143445243 MNWRWUKTEGDXMR-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CNc2ccccc21 158022376 BJQKLNCPEGLPKV-OAHLLOKOSA-N 259.393 4.515 30 10 CJEE CCC[C@H](CS)CSCc1ccc(Cl)cc1 159185016 VUEFUIAPPWVTIS-GFCCVEGCSA-N 274.882 4.919 30 10 CJEE CCCCCCC[C@@](N)(CC)c1cccc(F)c1 166877795 IGBGKKLFNLOCBP-INIZCTEOSA-N 251.389 4.750 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(CC)s1 168841026 KDOFRQVVVJKDMW-CQSZACIVSA-N 268.466 4.965 30 10 CJEE CCCCCCCCCOc1ccc(NC(C)=O)cc1 205443260 VJQRREBQKWNGNB-UHFFFAOYSA-N 277.408 4.774 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1cc(F)cc(C#N)c1 226586080 DIIMKPIIMVSCBU-VHSSKADRSA-N 289.394 4.675 30 10 CJEE CCCCCCCCCCCCOc1cnn(C)c1 227960316 WUHDUHADYGIOCH-UHFFFAOYSA-N 266.429 4.720 30 10 CJEE O=C(C=C1CCCCC1)Cc1cc(Br)cs1 232458732 QLFYZTZUMCEHDV-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CCCCCCCCCCNCCc1ccc(O)cc1 232945584 UEFHCJRFAQNRPS-UHFFFAOYSA-N 277.452 4.665 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc(Cl)ccc1OC 234457398 GOSPVBCITAHQFL-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE N#Cc1ccc(Oc2ccc(F)cc2)c2ccccc12 236157851 AXCSEOQJEGOMPB-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCCc2ccccc21 236301776 RXPCQKDJBNMDQQ-MSOLQXFVSA-N 257.421 4.570 30 10 CJEE C=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C 238442048 SMBXWHQNSUSVSJ-RBSFLKMASA-N 279.424 4.543 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H](C)CC[C@H]1C 251198716 UUJWAQGMHNRBSB-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]([C@H](C)O)C1 252785367 UUCNCMXPFUKMTI-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CC(C)c1ccc(C(C)C)c(C2(CC#N)CC2)c1O 260469794 CMVCJIQGMJHVTC-UHFFFAOYSA-N 257.377 4.584 30 10 CJEE CC[C@H](C#N)c1cc(Br)ccc1C(C)C 260850637 HJTXQTNTPGZUQO-SNVBAGLBSA-N 266.182 4.590 30 10 CJEE Cc1cc(Cl)ccc1NCc1ccc(C#N)cc1Cl 312008085 ZKXRXUIJXKYLAQ-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=CCCCCCCNCC[C@@H](C)c1ccccc1 312124891 YRCFZTJTUQWCBP-QGZVFWFLSA-N 259.437 4.906 30 10 CJEE C=CCCC[C@]1(CNCCC)CCc2ccccc2C1 317348269 CCCIJJXADVUKFO-IBGZPJMESA-N 271.448 4.518 30 10 CJEE CC1(C)CN(CC2(CS)CCCCCC2)[C@H]2CCC[C@H]21 381089872 DDHFISSKTYLEDD-CVEARBPZSA-N 295.536 4.767 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc([N+](=O)[O-])cc1Cl 385089704 XSZGFTMSLYLEGC-IAQYHMDHSA-N 292.766 4.511 30 10 CJEE CC[C@H](C)C[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394420454 OZRVZESMGLRWAS-BOLLXYOYSA-N 265.441 4.530 30 10 CJEE CC(C)[C@@H](C#N)CSc1cc(Cl)ccc1Cl 397505254 IKMNMYBODJTJSA-VIFPVBQESA-N 274.216 4.881 30 10 CJEE CCCCCCC[C@]1(C)[C@H](CC(C)C)NC(=O)[C@H]1C 399669192 NVHHOIGYMHXPRI-VYDXJSESSA-N 267.457 4.534 30 10 CJEE CCCCCCC[C@H](NC)c1csc(C)c1C 399849979 KBUZAUXFQQJYSV-HNNXBMFYSA-N 253.455 4.986 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@H]2C1 403603405 HDNSMJYOFIHRGS-VQHPVUNQSA-N 252.442 4.924 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C=C/C 492051439 WNUGLAGTAXFKTA-OAPZVAQESA-N 269.388 4.609 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1OC 690066017 BAQISLFMKFPNCI-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2cccc(C)c21 692190800 LZNXMMDJHBJBSE-UKRRQHHQSA-N 286.444 4.941 30 10 CJEE Cc1cc(O[C@H](C)CC(C)(C)C#N)ccc1C(C)C 695874796 XAQRIYJOXMMTQT-CQSZACIVSA-N 259.393 4.826 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)c1cccc(Cl)c1C#N 696195731 OSGIEURNWFNIKK-CYBMUJFWSA-N 288.822 4.618 30 10 CJEE C=C(C)CCNc1ccc(OC(F)(F)F)cc1Cl 699690090 CSQKOMPXSXWDCT-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccc(Cl)cn2)CC1 703850363 WMLALBUSACOFBU-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CCCC(C)C 703967576 BJBJFSRXVCAEOX-CABCVRRESA-N 296.455 4.740 30 10 CJEE CCCCCCCNCc1ccsc1C(F)(F)F 704380916 VANBDVHSHBDQRZ-UHFFFAOYSA-N 279.371 4.827 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)CCC(C)C 704479260 BSJSOVARKQGDLN-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 705954512 PVELWWLKKLSLGL-QILLFSRXSA-N 270.420 4.739 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC 710644347 JGNKLZBQRUKMHW-YUELXQCFSA-N 271.876 4.960 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC[C@H]1CCC 710889129 IHRFLGNVEWCIMP-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCCN[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714305276 SJUZJJQCWUQUGO-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C[C@H]1CC([C@H](C#N)Sc2cccc(F)c2)C[C@H](C)C1 719375990 DILORZNYQHZUOE-HSMVNMDESA-N 277.408 4.882 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H](C)COCc2ccccc2)C1 719627793 WVNXXUKZVOBERA-LMMKCTJWSA-N 285.431 4.949 30 10 CJEE C[C@H]1CC=C(C(=O)c2cscc2C(F)F)CC1 720282699 SBWABZDOGSQEJF-QMMMGPOBSA-N 256.317 4.615 30 10 CJEE C=C1CCC(CN[C@@H](CCC)c2cccs2)CC1 724541704 BUVZBADELPRUKJ-HNNXBMFYSA-N 263.450 4.925 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(Cl)c2F)CC1 724549500 NORYZQBQVYPYCP-AWEZNQCLSA-N 267.775 4.615 30 10 CJEE C=C1CCC(CNCc2cccc(C(F)(F)F)c2)CC1 724559808 ODRHTGQEEBIOCO-UHFFFAOYSA-N 283.337 4.541 30 10 CJEE CSc1ccc2c(CC#N)c(C(F)F)sc2c1 725295944 LGQSZLJZWMYNTA-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCCC(F)(F)C1 793545803 CTOWBXBWIQJHNW-ZIAGYGMSSA-N 259.384 4.679 30 10 CJEE C=CC[C@@H](OC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 800408327 PZJNGJZFWPWVCY-LSDHHAIUSA-N 294.341 4.673 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC1(F)F 821997358 SHHMOGUEFDAARM-KFWWJZLASA-N 271.395 4.536 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H](C)CC2CCCC2)CCCC1(C)C 1128573980 KQTMQCRBUVWNAI-NVXWUHKLSA-N 291.479 4.796 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1(CC)CCCCC1 1129663363 CBMAZJGCQKRJMM-SFHVURJKSA-N 299.458 4.651 30 10 CJEE C=CC[C@H](CC)NC(=O)c1ccc(-c2cccs2)s1 1270621944 FWTNJPAKJMOXHJ-NSHDSACASA-N 291.441 4.561 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2nc(C#N)c(Cl)s2)CC1 1307103051 GXOSBSITPIQSML-MNOVXSKESA-N 297.855 4.685 30 10 CJEE C=CCC[C@H]1CCCN1Cc1nc(-c2ccccc2)cs1 1308137151 POGWVJMRKUKCAX-INIZCTEOSA-N 298.455 4.741 30 10 CJEE C=C(C)CN(CC)C(=O)C1(c2cccc(C)c2)CCCCC1 1354720999 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2250016781 QIONBBHKCUORMB-UHFFFAOYSA-N 270.829 4.749 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCCC2CC(F)C2)C1 2257855518 WHVQSYJNJPTPBJ-FZXGMECOSA-N 269.429 4.576 30 10 CJEE C=CCC1(Nc2nc(C)cc3sccc23)CCC1 2258246937 PCGZBRKBJFGGHL-UHFFFAOYSA-N 258.390 4.515 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](CCC)CC[C@H]1NCC 2258975311 GUMFEBYMPJNNBS-ARFHVFGLSA-N 269.498 4.633 30 10 CJEE SC[C@@H](COCC[C@@H]1CCCCC12CC2)C1CCC1 2264999695 SJCSCGLXYQZAIX-CVEARBPZSA-N 282.493 4.710 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1cc(C)c(C#N)c(C)c1 2265858222 CQVMFCGKHZGSBV-WFASDCNBSA-N 258.409 4.802 30 10 CJEE CCCCCCC[C@]1(CNC)CC(F)(F)C12CCC2 2266130913 SIMHAFQQLRSMKT-CQSZACIVSA-N 273.411 4.762 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)ccc1Cl 2268138825 FXRHGMQOCJSINK-WMLDXEAASA-N 277.839 4.873 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1scc(C)c1C 2268761754 HNGKLQYNXLONAQ-OAHLLOKOSA-N 275.461 4.621 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C=O)CCCC(F)(F)C1 2269467977 JSJIJBXABHPJMS-ILXRZTDVSA-N 272.379 4.988 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1cccc(-c2ccccc2)c1 2269827605 IFVDWMIDZFUDOO-KBXCAEBGSA-N 252.357 4.599 30 10 CJEE C=CCCCCCCNC[C@H]1CC[C@H]2C[C@H]1C2(C)C 2270499151 LUJIACWNBNAGPK-IXDOHACOSA-N 263.469 4.785 30 10 CJEE Cc1cc2sccc2c(C2(C#N)CCCCCC2)n1 2270618263 BMANKGLOOSLNMF-UHFFFAOYSA-N 270.401 4.720 30 10 CJEE C=C(C)CCCC[C@H](CSc1ccccc1F)NC 2271792031 RDZCWJUGBUYVJM-CQSZACIVSA-N 281.440 4.642 30 10 CJEE C=CCCCCCCCNC1CCC2(CCS2)CC1 2272907813 GTFGKCYSQRIEEW-UHFFFAOYSA-N 281.509 4.921 30 10 CJEE CCN[C@H](C#CC1CCCCC1)CC1CCCCC1 2273977762 UCKPWTHEANNXPS-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H](C)CC(C)(C)C 2274135011 WHDDJPUZPQDXTB-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@@H](CC=C(C)C)OCC(=O)O 2275181805 YUGWZSJPUNYLBX-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CC=CCCC[C@@H](CCCCCCC)OCC(=O)O 2275349017 KYNMLLDHRNRUCD-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H](C)CCC 2276471452 YPONMYLQFIMKCD-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](C)O1 2278239463 ZCHCFWYXFFONJA-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CCCC[C@@H](CC)CSCc1cc(C#CCN)cs1 2278257698 INLXPYFTSBQNDX-CQSZACIVSA-N 295.517 4.508 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1ccc(C)cc1 2284115723 MTQVYLUASYIEFQ-GOSISDBHSA-N 269.432 4.641 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)cc1 2284115977 PQERIALGZJSLPD-KRWDZBQOSA-N 289.850 4.986 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@]12CCCC[C@@H]1C2 2284157607 GLZSNICQPOKIQC-LMMKCTJWSA-N 273.464 4.541 30 10 CJEE CCCCCCCCCCC1(O)CC2(CC(OC)C2)C1 2286393088 VYDKNQWPWIDTRP-UHFFFAOYSA-N 282.468 4.837 30 10 CJEE C#CC1(NCCC2CCCCCC2)CC2(CCCC2)C1 2288216426 PVMSFMBVGSZARA-UHFFFAOYSA-N 273.464 4.663 30 10 CJEE CCCCCC(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290189949 HGMLUWRDRWMQAH-INIZCTEOSA-N 271.404 4.741 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)C1CCC1 2290876282 CZQFJVCVBMJPFE-GOEBONIOSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCCC(C)=C1C 2290901302 XIWLKQURKPXFNJ-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@H](OCC(=O)O)C1(CC)CC1 2291811424 WZLFVQHFJBZMAM-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCC[C@H]1C 2292650345 QPLIVADKZHMSOV-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H](C)C[C@@H]1C 2292897815 XSXDWHXULOLEOL-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@](CC)(OCCN)c1cccc(Cl)c1 2293133293 FNQGHWNTBNTKHT-YOEHRIQHSA-N 295.854 4.523 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@]1(C)C[C@@H]1C 2293527240 IFSACMCWJJDUNC-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1ccsc1C 2293785924 VULYSBFQBFQWCX-KRWDZBQOSA-N 295.492 4.990 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cccc(F)c1Cl 2294403740 RJCGPHKPMMYLPQ-OAHLLOKOSA-N 299.817 4.632 30 10 CJEE C=CCCCC[C@@](C)(OCCCN)C1CCC(C)CC1 2294409652 NQDQJOXWOHGNHK-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@H]1CC[C@@H]1C 2295524686 MLNCIINOFOVSNO-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)NCCOCC(F)(F)F 2295667656 ADOPGVKGFGYQFM-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC(C)(C)[C@H]1OC 2295689366 PIOXXSHQADFHFQ-BBWFWOEESA-N 283.500 4.919 30 10 CJEE CCCCCCCCC[C@@H](C)NCCN(CC)C1CC1 2295691707 ORCAQZHYAOXQCV-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE C=CCCCC[C@@H](O)c1c(F)ccc(C)c1Cl 2299059286 DXUZERQBPKIFKN-GFCCVEGCSA-N 256.748 4.567 30 10 CJEE C[C@@H]1CCC[C@@H]1[C@@H](C#N)c1ccc(Cl)c(F)c1 2300102095 OENCLRMOZHKVRZ-USWWRNFRSA-N 251.732 4.522 30 10 CJEE C=C1C[C@H]1C[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301195585 RKNBQTDQDKYTLY-GWCFXTLKSA-N 270.203 4.529 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2302838963 ISTXDFRXQIKRFS-BXUZGUMPSA-N 270.203 4.610 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(Br)c(C)c1 2304060887 AQHLAVWTQMIPME-AWEZNQCLSA-N 296.252 4.620 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@]12C[C@H]1[C@H](C)C2 2308839345 KJNLOBAHBVNXIC-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCCCC[C@H]1NC 2313641613 KWHKSSIBSIQXOA-XHSDSOJGSA-N 269.498 4.775 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@@H]1CCC1(F)F 2313826803 MPXJMECQAITKCN-KBPBESRZSA-N 260.368 4.699 30 10 CJEE CC(=CC[C@]1(C=O)CCCSC1)CCCC(C)C 2316509628 PYVNSNSWKSXOGT-INIZCTEOSA-N 268.466 4.861 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@H](CC)CC1 2316731078 UZRFGTGEWPMBCC-UAGQMJEPSA-N 250.426 4.722 30 10 CJEE Cc1c(F)ccc(COCC[C@@H](C)CCS)c1Cl 2317206108 LJHTWPSBFLEXRJ-SNVBAGLBSA-N 290.831 4.650 30 10 CJEE CCCCCCCC[C@@](C)(O)C#C[C@@H]1CC1(C)C 2317372828 KMAPXRQZHTZNPM-NVXWUHKLSA-N 250.426 4.538 30 10 CJEE CC(C)=CCC[C@@H](C)Oc1cc(Cl)ccc1C#N 2319102267 PVVGSRLNGKEYPX-GFCCVEGCSA-N 263.768 4.725 30 10 CJEE C=C(C)CC[C@H](C)NCc1cc(F)c(Cl)cc1Cl 2325185108 YTKGPEANNRQVHL-JTQLQIEISA-N 290.209 4.967 30 10 CJEE CC(C)C[C@H](CS)COc1cccc2sccc12 2328523762 RSGFXBOQELBUDT-LBPRGKRZSA-N 280.458 4.872 30 10 CJEE C=CCCCCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329823922 RFNNUVRLNJZNRC-KSZLIROESA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC[C@@H](NCCC)[C@@H]1CC 2335099092 RMLVAEIQHDPZLC-GVDBMIGSSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)cc1F 2335238006 KGSSCMOIPZBMRL-GFCCVEGCSA-N 281.440 4.771 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](CC)NCCC)nc1 2335239966 YMJOLWOZAXXFLJ-ZFWWWQNUSA-N 278.465 4.589 30 10 CJEE CC(=CCN(C)C1(C#N)CCCC1)CCCC(C)C 2338440558 RBVYYYXFJFJBOV-UHFFFAOYSA-N 262.441 4.527 30 10 CJEE CC(=CC[C@@]1(C#N)COCC1(C)C)CCCC(C)C 2338443503 WYJHBLDZGUVWPI-QGZVFWFLSA-N 263.425 4.715 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@]1(C)CC[C@H](C)C1(C)C 2338732680 LASUCDMQVZFZDV-QILLFSRXSA-N 263.469 4.805 30 10 CJEE C=CCC[C@H](NCCC)c1cc(F)ccc1C1CC1 2341789657 OPYREHKJPMLGNR-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@@H]1c1ccccc1)NCCC 2341925496 ZYKMKFAJBHWYRE-RCCFBDPRSA-N 257.421 4.515 30 10 CJEE CC1=C(C)C[C@@H](COCCCCC(C)(C)C#N)CC1 2343292415 ITRRUYGQGRTDGO-INIZCTEOSA-N 263.425 4.860 30 10 CJEE CC1=C(C)C[C@H](CNc2ccc(Cl)cc2C#N)CC1 2343452037 RCJBOBUQXOKSSX-CYBMUJFWSA-N 274.795 4.760 30 10 CJEE CCCCCC#CC[C@H](N)c1cccc(C(C)C)c1 2343619249 UZUOOMMSWWQXKU-SFHVURJKSA-N 257.421 4.784 30 10 CJEE O=CC1(Cc2cccc(C3CCC3)c2)CCCCC1 2343803801 ZZCQOUGAAHXBMH-UHFFFAOYSA-N 256.389 4.646 30 10 CJEE C[C@H](CCS)CCOCc1cccc(C2CCC2)c1 2343808113 DVWCZHRNBCHUTL-AWEZNQCLSA-N 278.461 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2344344489 SHAUDKNFLBHSDV-WKULXVSPSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1cccc(C(F)F)c1 2344376441 QEDGRCMJNKOJIF-MRXNPFEDSA-N 266.331 4.728 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(CSC)cc1 2344384576 MFUJWIWPSSDHRV-IRXDYDNUSA-N 277.477 4.803 30 10 CJEE CC(C)C[C@H](CS)COCC[C@@H]1CCCCC12CC2 2353836242 YJBVPXLHAWHNBV-HOTGVXAUSA-N 284.509 4.956 30 10 CJEE C=CCC(CC=C)Sc1cc(F)cc(CNC(C)C)c1 2360371766 OGHQZNDDCAZUGD-UHFFFAOYSA-N 293.451 4.937 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C 3999733 XFVXJCUKDGDYGB-MBTYJKNVSA-N 291.394 4.771 30 10 CJEE Fc1cccc(Cl)c1/C=N/Nc1ccc(Cl)cc1 6672468 SPOVLGRSUSZLSH-CAOOACKPSA-N 283.133 4.579 30 10 CJEE CCc1ccc(-c2[nH]c3ccc(C)cc3c2C#N)cc1 19724747 SIFAKJKUFLYLHG-UHFFFAOYSA-N 260.340 4.577 30 10 CJEE N#C[C@H](Cc1cccc2ccccc12)c1ccccc1 57738996 IRJIDXHTCFGSLU-SFHVURJKSA-N 257.336 4.690 30 10 CJEE CC(C)(C#N)CCOc1ccc(Oc2ccccc2)cc1 87595930 GKGNTCKLISPINQ-UHFFFAOYSA-N 281.355 4.798 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87996691 PDHOWJURVAOECR-WFASDCNBSA-N 297.320 4.848 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](C(=O)O)C1 88230944 QZOAFVBDHUKEOD-QGZVFWFLSA-N 297.483 4.704 30 10 CJEE CCCC1CCC(C#N)([C@H](O)C2CCCCCC2)CC1 91903839 TWYCEFAVBOPRBD-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE C=C(C)C[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547249 RSCGUFXJOPFMHT-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCNc1cccc(C(=O)OC)c1 104427740 CLESQIRCPZKOQP-UHFFFAOYSA-N 277.408 4.636 30 10 CJEE CCCCCCC[C@@H](NC(C)C)c1nc(C)cs1 104444993 JGVAZIWRIHYAPO-CQSZACIVSA-N 268.470 4.851 30 10 CJEE CCCCCCCn1c([C@H](C)N)nc2cc(CC)ccc21 105502302 DGZFSTASDGEQAM-AWEZNQCLSA-N 287.451 4.589 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(OC)c(C(C)(C)C)c1 107613179 RQMWMUAIRJJIAD-ZIAGYGMSSA-N 258.405 4.756 30 10 CJEE CCCOc1cc(C)c([C@@H](C)CCS)cc1C 107653257 PCFUNXBWGKXSGE-NSHDSACASA-N 252.423 4.516 30 10 CJEE CCCCCCCO[C@H](c1ccccc1C)[C@@H](N)CC 109987537 MOSWNUTUBRHBEK-ZWKOTPCHSA-N 277.452 4.760 30 10 CJEE CCC[C@@](C)(C=O)CN(C1CCCCC1)C1CCCCC1 110118263 HYJDURVVWXIVAL-LJQANCHMSA-N 293.495 4.959 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC2(C)C)C1 110265733 IPDZWNVNTLDCHX-ARFHVFGLSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]([C@@H](C)N)C1 111695559 UXXHNQNJCKRCJI-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CCCCCCCC[C@@H]1Cc2ccccc2[C@@H]1NC 111726684 RWQYOUAIGZPLHM-SJLPKXTDSA-N 259.437 4.870 30 10 CJEE CCCCCCCCCCCCN1[C@@H](C)CNC[C@@H]1C 111904056 RYRMJDKCXVKSCY-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN1C[C@@H](C(C)C)NCC[C@@H]1C 114078239 LIXFXQZUIJLNLF-OALUTQOASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)[C@H]1COc2ccccc2O1 115775187 NQHLVWDLJVSVAT-GOSISDBHSA-N 290.403 4.536 30 10 CJEE CCCCCCCC[C@@H](CSCC)NCCC 115799326 MRWYEDNPDHWTCV-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCCC)[C@@]1(C)CC 117341541 ZCBOSZSMVOADQO-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](CN)c1ccc(Br)cc1 118846418 POIFYJJVLWRUNV-CQSZACIVSA-N 298.268 4.852 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1cccc(Cl)c1C#N)C2 126488560 PIXQGPFUZLWUSN-CXMBCZLWSA-N 289.806 4.805 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H]1CCc2ccccc21 126871650 QDCQKXZYTZLFAG-RBUKOAKNSA-N 288.479 4.689 30 10 CJEE CCCCCCCCC(=O)Cc1cc(F)ccc1C 126909345 BJPSEGAOKOJZKZ-UHFFFAOYSA-N 264.384 4.996 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@H]1CCCNC1 127077752 AJIDYTWJLFYRNP-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE CCCCCCCCCCC[C@H](N)[C@H](C)CCOC 128391161 MOEWYLNLSXFJSD-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCc1ccc(OC[C@@H](CS)C(C)C)cc1 130409505 OPYYHIUHPUOHFJ-HNNXBMFYSA-N 266.450 4.610 30 10 CJEE CCCCCCCC[C@H](N)Cc1cccc(F)c1F 148694838 GQXBENZSTKMQSU-AWEZNQCLSA-N 269.379 4.585 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](OCC)C(C)C 158226467 RKOZCMVBTMREEU-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@@H](O)c1csc(Br)c1 159080051 HBFHIIYTXCNUMH-LLVKDONJSA-N 291.254 4.905 30 10 CJEE CCCCCCCC(=O)[C@@]1(OCC)CCC[C@H](C)C1 159845714 ZPEFKIKCUDQUJC-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCCCCC[C@H](O)c1cc(Cl)ccc1F 163000839 OTQAJPLSSPJMSG-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE C=C(CC)C[C@H](NCCC)C1(OCC)CCCCCC1 167166429 RFBOUOVLFAADFU-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1F)c1cccc(Cl)c1 168287841 IKWPMJWDCALVQX-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CSc1ccc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1 214008745 RTBZKSHTKRAOGQ-LICLKQGHSA-N 296.391 4.642 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)OC)NCCC 230965509 BEBIOJQZURNWEB-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE Cc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1 232245050 UPTDSSSINOJNLF-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(Cl)sc1Cl 233083848 GAWSPFWRVVRZMZ-JTQLQIEISA-N 264.221 4.672 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1C#N 235538000 IRMNJUSKWKELGZ-JTQLQIEISA-N 276.792 4.755 30 10 CJEE Cc1ccc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c1 235912897 OWNBLKPDPQMKHN-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE COc1c(C(C)C)cc(C[C@H](C)C#N)cc1C(C)C 260704591 VXNIPKIHAPDOET-ZDUSSCGKSA-N 259.393 4.644 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CC[C@H](CC)C1 300255577 AWICVKWFJBUJAG-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@H](CCC)C1 300519512 MQSWAIFHAPLHQM-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1 308055230 MRUISKNUBQKAOI-DOMZBBRYSA-N 277.795 4.589 30 10 CJEE Cc1cc(Sc2ccc(C(C)C)cc2)cc(C#N)n1 308299631 JUMLQWJXMOSWMB-UHFFFAOYSA-N 268.385 4.536 30 10 CJEE CC[C@H](C#N)c1cc(F)c(Cl)c(Cl)c1Cl 309004274 SVSLYHGSROIXPZ-RXMQYKEDSA-N 266.530 4.803 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc2ccccc2n1 312267422 HYVAWKRMHOSDSX-HOCLYGCPSA-N 282.412 4.799 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCOC[C@@H]1C 312472937 BOBVCHSQSIABEY-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCOCc2ccccc2)C1 316789007 HHCVTJCCRIKRJK-PKOBYXMFSA-N 288.431 4.769 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C(C)(C)C)CC2)cc1 316944861 BKMZSZNQMZUKCM-UHFFFAOYSA-N 272.432 4.959 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CCCC[C@H]1C 318783403 SWVAVZCXKJDMLY-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cccc(C(F)(F)F)c1 380409746 DRVUKFPERZMEJL-LBPRGKRZSA-N 285.353 4.958 30 10 CJEE CCCCCCC[C@H](NCCC)c1cocc1C 385429646 DQJRSGMLELQKEU-INIZCTEOSA-N 251.414 4.989 30 10 CJEE C=C(C)CCN[C@H](c1ccccc1)c1ccccc1C 387326134 CTOPLEFVDAQLNM-LJQANCHMSA-N 265.400 4.640 30 10 CJEE C=C(COCCC)[C@H](CC1CCCCCC1)NCCC 387551251 UCMMDGIBWUYPHV-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=C(COC(C)C)[C@@H](C[C@H](C)CC(C)(C)C)NCCC 387642684 INYUDNHHTRMPKC-DOTOQJQBSA-N 283.500 4.798 30 10 CJEE CCCCCCCCC[C@@H](CN1CCCCC1)NCC 392865224 TTYRSMBFRYTFOO-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCC[C@H](CC)C/N=C1/N[C@@H](CC(C)(C)C)CS1 393462270 GTYHHZLRIIWKFY-KBPBESRZSA-N 284.513 4.700 30 10 CJEE C=C[C@@H](C)ON[C@@H](CC)c1ccc(Cl)c(Cl)c1 400930041 NNUOPFCNRYJOIK-RNCFNFMXSA-N 274.191 4.540 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2C1 403333815 ATNRCKHGCDQZLD-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CCCCc1ccc(Br)c(Cl)c1F 404481565 GREGBVIJFRDBMM-UHFFFAOYSA-N 277.564 4.750 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(SC)cc1 410353824 MYEFQGHOJHNLCG-UHFFFAOYSA-N 297.423 4.779 30 10 CJEE Fc1cc(C(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 575339705 NLYJEGUVFHLXSS-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C=CCCCCCCNCc1cccc(SC)c1 686946270 QIJRIQVWQQRFIL-UHFFFAOYSA-N 263.450 4.635 30 10 CJEE C1CCC(CC/N=C2/NC3(CCCCC3)CCS2)CC1 687318901 ZBBRYGBBQVUWNI-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCC1CCC(/N=C2/NC3(CCCCC3)CCS2)CC1 687318929 NBHXAYBHWVDWDS-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CC(C)(C#N)CCCCN1CCC(C)(C)CC(C)(C)C1 688267789 WGPPSTBFWOKPHU-UHFFFAOYSA-N 278.484 4.855 30 10 CJEE Cc1nc(CC2(C#N)CC(C)(C)CC(C)(C)C2)cs1 688309271 SVKKUYHRNMBDJO-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCC(CC)(CC)C2)C1 690554622 YTYONAMZDCQGQP-IKGGRYGDSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCN[C@@H]1CO[C@H](C(C)C)C1 691317885 NVVGLAQMVFDXGP-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2c(C)cccc21 692189794 IEVVLBFYHJZOMZ-UONOGXRCSA-N 286.444 4.941 30 10 CJEE C=CCCSCCN[C@H](C)c1ccc(CCCC)cc1 696087201 VTZYZVOZQIYNQK-MRXNPFEDSA-N 291.504 4.989 30 10 CJEE CCCCCCCCCC[C@@H](O)C1CCC(CN)CC1 696170972 WLUQUTRAQFEJNX-DAWZGUTISA-N 283.500 4.643 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)ccc3C)C[C@@H](C1)C2 697310298 ULWXDZKOSWNDDQ-MZBDJJRSSA-N 259.368 4.681 30 10 CJEE C=C1C[C@H]2CC(Nc3cncc(Cl)c3C)C[C@@H](C1)C2 697316471 WHJWQOSAMVZOCJ-PBWFPOADSA-N 276.811 4.590 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H]2CCCC[C@]2(C)O)CC1 699325870 ZMVFDRBQFNVZBD-AUCMRZJMSA-N 277.452 4.674 30 10 CJEE N#CC1([C@@H](O)c2c(F)ccc(F)c2Cl)CCCCCC1 705533931 CJMQHXLQOJBPIR-AWEZNQCLSA-N 299.748 4.516 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nc(C)sc1C 709353193 NCHYNEVOKYPOGG-NILFDRSVSA-N 278.465 4.545 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCCc2ccccc21 710476460 POUYGALJBPPVSP-SJORKVTESA-N 277.839 4.617 30 10 CJEE C=CCCC[C@H](O)c1c(Cl)cccc1C(F)(F)F 712607800 LYYARFLXWMBKLH-NSHDSACASA-N 278.701 4.749 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@]1(O)C1(C#N)CCC(C)(C)CC1 713120342 PJHRCPZIGMJRDH-KSSFIOAISA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 720863371 FBOFLMZMYSKKMB-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(SCC)cc2)CC1 724553086 QRJXMFYDAXMXIG-KRWDZBQOSA-N 276.445 4.969 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CCC1CCCC1 1128599707 AUCKPBQSSCBSBI-UHFFFAOYSA-N 285.431 4.562 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](C)c1cccc(F)c1)c1ccccc1 1130934450 NEQQRRRHGQELEP-RDTXWAMCSA-N 298.357 4.790 30 10 CJEE C#Cc1cccc(N(Cc2cccs2)CC2CCCC2)c1 1167943310 PVYNVIWBTMIZCG-UHFFFAOYSA-N 295.451 4.926 30 10 CJEE C=CCC1(NCc2ccc(F)cc2Cl)CCCCC1 1175372310 UWIFGHXMIRIUPZ-UHFFFAOYSA-N 281.802 4.848 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(CN3CCCCC3)cc2)C1 1183491513 RBMCRYYMABEFOQ-YLJYHZDGSA-N 298.474 4.829 30 10 CJEE C=C(C)CSc1nccn1-c1ccc(C(F)(F)F)cc1 1188789405 TZWQDFHRXQSTQA-UHFFFAOYSA-N 298.333 4.559 30 10 CJEE N#Cc1cc(Cl)ccc1SCC=C(Cl)Cl 1188869673 IFSARGBSOQATEH-UHFFFAOYSA-N 278.591 4.623 30 10 CJEE C#CCCCCCC(=O)O[C@@H](C)c1ccc(Cl)s1 1266647171 GKCHTSJOONZFGD-NSHDSACASA-N 284.808 4.589 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](C)c1cccc2ccccc12 1347716060 GSSCEONDIUSJKD-LSDHHAIUSA-N 281.399 4.619 30 10 CJEE C=CCCC[C@@H](C(=O)N(CC)CC(=C)C)c1ccccc1 1352046968 QTMKOMOOTMQSGM-GOSISDBHSA-N 285.431 4.551 30 10 CJEE C=CCC1(C(=O)N[C@@H](CC(C)C)c2ccccc2C)CCC1 1456321972 JVSHMDFPKVQNQQ-SFHVURJKSA-N 299.458 4.945 30 10 CJEE C=CC1(CC(=O)OCc2ccc(C)c(F)c2)CCCCC1 1458625426 SOLAAYHILARYRX-UHFFFAOYSA-N 290.378 4.704 30 10 CJEE C=CCC1(C(=O)N(C)c2ccccc2C(C)C)CCCC1 1460646758 OWNVIZMNHVKCDE-UHFFFAOYSA-N 285.431 4.909 30 10 CJEE C=CCCCC[C@@H](C)NCC(C)(C)c1ccccc1 1462412422 FLAMEBJZVVQMKT-MRXNPFEDSA-N 259.437 4.689 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1C[C@@H]1C1CCCC1 1462662629 FRFBKOFGUMNDDF-CGTJXYLNSA-N 263.469 4.927 30 10 CJEE C=CC(C)(C)CCCNCc1nc2ccc(F)cc2s1 1474256353 MIBNUJBGMYGWMC-UHFFFAOYSA-N 292.423 4.517 30 10 CJEE C=CC[C@H]1N(C(=O)C[C@H](C)CC(C)C)CCCC1(C)C 1519871333 UTVCZQIIOUWURR-HZPDHXFCSA-N 279.468 4.652 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 1523569965 VMGZIOQFIYWBFS-GOSISDBHSA-N 299.458 4.959 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](CC=C)c1ccccc1 1530310207 YXDVVOKSVVHICF-SFHVURJKSA-N 285.431 4.551 30 10 CJEE C[C@H](C#N)c1ccccc1-c1ccc(C(F)(F)F)cc1 1536116080 UHPFTAKIKFCRQW-LLVKDONJSA-N 275.273 4.999 30 10 CJEE C=CC(C)(C)C(=O)O[C@@H](C)c1oc2ccccc2c1C 1537173247 QJLKTZXBDZQWSJ-LBPRGKRZSA-N 272.344 4.558 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)CCCCCC 1537213218 HNCHYQBIXQYGBI-IRXDYDNUSA-N 279.468 4.940 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(Cl)cs2)c1 1539557922 KGQRHHHBUIKVPA-UHFFFAOYSA-N 277.776 4.687 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 1539604358 CAXPIHOBHUKKJQ-UHFFFAOYSA-N 277.795 4.642 30 10 CJEE C=CCCCCN[C@@H](c1ccc(CC)cc1)C(C)C 1559629909 YXNVEOCUDPGMEQ-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccc(Cl)cc1 1560864581 HPSUBBSKGOSIOM-NXHRZFHOSA-N 287.834 4.573 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C 1587776580 OLLTXCKCTYQAGM-SJORKVTESA-N 299.458 4.535 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@]1(CC)Cc1ccccc1 1617168560 UCMAYCFITOHIMQ-PXNSSMCTSA-N 299.458 4.603 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC/C=C/c1ccc(F)cc1 1620967754 YCQXEXMIVDQJTC-FXVWLTTGSA-N 295.401 4.616 30 10 CJEE C=C(CC(C)C)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 1623325735 SGWRFWQNRALZBU-UHFFFAOYSA-N 299.458 4.903 30 10 CJEE C=C(CC)CSc1nccn1-c1cccc(C)c1C 1640813929 OBRYWFWMGFUJPB-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CCCCN[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1648123380 HOZDZSCUCZGSNX-QZTJIDSGSA-N 271.448 4.905 30 10 CJEE CC[C@H](CC#N)N[C@H](Cc1cccc(Cl)c1)CC(C)C 1652110496 CFAIEHBHMFMWAV-SJORKVTESA-N 292.854 4.579 30 10 CJEE C=CCCCCCCNCCc1ccc(C)c(C)c1 1652427120 NWIRZUHNUSENGC-UHFFFAOYSA-N 259.437 4.572 30 10 CJEE C#Cc1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(Cl)c1 1653185668 ZYWITBPHAROUIY-MBNYWOFBSA-N 261.796 4.558 30 10 CJEE C=CCCCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 1653781398 HTOKAFTZHAYDSA-FQEVSTJZSA-N 295.426 4.535 30 10 CJEE C#CCN(C[C@@H](C)CC(C)C)[C@@H]1CCCc2ccccc21 1655692057 BSDVJGQBIKTRQM-FXAWDEMLSA-N 283.459 4.681 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](C)c1cccc2ccccc12 1655816219 ZFRAHMMKZZLRAJ-GOEBONIOSA-N 251.373 4.551 30 10 CJEE C=CCCCOc1cc(F)c(Cl)cc1Br 1656481464 UYXUWRNPTDVVNH-UHFFFAOYSA-N 293.563 4.587 30 10 CJEE C=CCN(Cc1ccccc1C(F)(F)F)c1ccccc1 1658906126 FSZHZKAAGFTREC-UHFFFAOYSA-N 291.316 4.898 30 10 CJEE C=CCN(Cc1ncc(C(C)(C)C)s1)c1ccccc1 1659494210 PRJBNJOZBQXFKA-UHFFFAOYSA-N 286.444 4.633 30 10 CJEE C#CCCCCCCNC[C@H]1CCCC[C@H]1CCC 1665004627 LGNFXUQGVWLNSP-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE C#Cc1ccc(NC(=O)NCCCCCCCCC=C)cc1 1673628913 GIHSTILZWWDTEG-UHFFFAOYSA-N 298.430 4.706 30 10 CJEE C=CCCCCCCCNC(=O)N1CC[C@H](C)C(C)(C)C1 1683132039 WLGIWEZMPPWEKS-INIZCTEOSA-N 294.483 4.591 30 10 CJEE CCC[C@H]1CC[C@H](CN(C)C[C@H](CS)C(C)C)CC1 1877943782 DVAPPKVMZMWCAD-BRWVUGGUSA-N 285.541 4.727 30 10 CJEE CC#CCCCCC[C@@H](NCC)c1cccc(C)c1 1885237773 SMNRKXQUVVQVER-GOSISDBHSA-N 257.421 4.619 30 10 CJEE CCCN(C1CCCCCC1)[C@@H](C)CC(C)(C)C#N 1888624948 PCXJUDQBIQCQDG-HNNXBMFYSA-N 264.457 4.750 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1CCCCCC1 1888689295 OYNADLAVTHENAV-GOSISDBHSA-N 257.421 4.648 30 10 CJEE C=C(c1ccccc1)[C@@H](O)C(C)(C)C1CCCCC1 1888699875 AQRTWGUGLJJAOT-QGZVFWFLSA-N 258.405 4.667 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C(C)(C)C(C)C 1888719982 XYHFSBGERMVHDA-QGZVFWFLSA-N 259.437 4.750 30 10 CJEE CC1(C)CCC[C@](C=O)([C@@H]2C[C@@]2(C)C(F)(F)F)CC1 1909515477 LQROPLTYORAMOB-BNOWGMLFSA-N 276.342 4.751 30 10 CJEE CCN(CC1(CS)CCCCC1)[C@H]1CCCC1(C)C 1910906090 ONDXIPYMAIVPGF-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@](C)(N)CCc1ccc(OC)cc1 1919513302 DPOUKRUIFNLTNP-GOSISDBHSA-N 277.452 4.706 30 10 CJEE C=C(C)[C@](C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1919657623 VTHJXRBYZVCFGQ-NSHDSACASA-N 298.226 4.508 30 10 CJEE CCCCCCC[C@](C)(O)c1csc(C(F)(F)F)n1 1919908355 BTTUOPBXADOAKE-LBPRGKRZSA-N 295.370 4.730 30 10 CJEE CCCCCCC[C@@](C)(O)C1(C#N)CCCCCC1 1921091855 FUAXDSVYRGCECI-MRXNPFEDSA-N 265.441 4.962 30 10 CJEE C[C@@H]1CCC[C@@H](N=C2N[C@H](CC3CCCCC3)CS2)C1 1926704645 GMEBPIVGPCUANS-FVQBIDKESA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](NC)c1csc(CC)c1 1942107646 AJQTVHPLOYIQSV-OAHLLOKOSA-N 253.455 4.932 30 10 CJEE N#C[C@H](c1c(Cl)cccc1C(F)(F)F)C(F)(F)F 1952280369 GITVODUYKWBKPG-ZCFIWIBFSA-N 287.590 4.528 30 10 CJEE CCCCCCCN1CCC[C@@H](c2nc(C)cs2)C1 1964137889 RXRQDZUKDAQYQI-OAHLLOKOSA-N 280.481 4.601 30 10 CJEE C[C@H]1CCC[C@H](CCOc2cc(Cl)ccc2C#N)C1 1970900972 QXSGIFRVTHYLJW-QWHCGFSZSA-N 277.795 4.807 30 10 CJEE CCCCCCCCC(=O)c1scnc1Cl 1978451272 GFCQLRXYFKKXEA-UHFFFAOYSA-N 259.802 4.730 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1cscc1Cl 2000521971 ZSRMCYFEKLXZTE-STQMWFEESA-N 271.813 4.545 30 10 CJEE C=CCCCC[C@H](NCC)c1ccccc1Br 2003684669 WKPLAEVVEWRIJL-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C=C[C@@H](C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 2014920886 KDLVMBOCCDCGRO-BDAKNGLRSA-N 276.182 4.605 30 10 CJEE CC#CCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 2019500755 NWQJSACUBXHDCK-CQSZACIVSA-N 271.187 4.611 30 10 CJEE C=CCCCCCCCCC[C@H](O)CCSC 2026311818 DCNMYCCHGYMZTM-HNNXBMFYSA-N 258.471 4.797 30 10 CJEE CC1CCC(C=O)(CC[C@H]2CCCC2(F)F)CC1 2027621063 KUNVNTXDSSTTQQ-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2029609696 RWACKOSQHKGCGD-JONQDZQNSA-N 252.442 4.780 30 10 CJEE CCCCCCCCC[C@H](O)c1ccsc1OC 2034633959 ZNLGHNHJYGQABC-AWEZNQCLSA-N 270.438 4.931 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@H](F)C1 2034876955 CELYQMOMKKJFJB-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE C=C([C@H](NCC)c1ccc(F)c(Cl)c1)C(C)(C)C 2035426636 NROWARHJOIFLKQ-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC12CCCC2 2036094914 GBGKQDOPKYIEFC-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1OCCCC1(C)C 2045998963 XLURPTNIHLBJNH-HOCLYGCPSA-N 251.414 4.692 30 10 CJEE N#CC1(CNc2cc(Cl)cc(Cl)c2)CCCCC1 2047532569 JQVDALAVQZXQSA-UHFFFAOYSA-N 283.202 4.879 30 10 CJEE C=CCCC[C@@]1(CNCCC)CCCC(C)(C)C1 2049516021 VQUAFBGQGBXRBF-QGZVFWFLSA-N 251.458 4.929 30 10 CJEE C#CCCCC[C@H](N)c1cc(-c2cccs2)cs1 2053254251 XGAMRPJTESHRRF-ZDUSSCGKSA-N 275.442 4.670 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@H](C)C1CCCC1 2059110925 FUTMENXGAYDJSC-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cc(OC)cs1 2059113608 BFUXKJDUHBREEP-CQSZACIVSA-N 267.438 4.544 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 2062223026 WTPGKTWFJQXRFQ-ZNMIVQPWSA-N 255.421 4.548 30 10 CJEE CC[C@](C#N)(C(C)C)[C@@H](O)c1ccc(Cl)c(Cl)c1 2064491501 AJOXHBBNEFJTIV-KBPBESRZSA-N 286.202 4.603 30 10 CJEE N#C[C@@]1([C@H]2C=CCCCCC2)CCCC(F)(F)C1 2065214316 RGSXHHDLQWAXDM-UONOGXRCSA-N 253.336 4.842 30 10 CJEE Cc1cccc(C)c1[C@@H](C)n1nc(C2CCCC2)cc1C#N 2070154039 XDIDZZHONUUSQB-OAHLLOKOSA-N 293.414 4.639 30 10 CJEE CCCCCCCN(C)Cc1cnc(Cl)cc1Cl 2075946075 OIMSHTHWQILZAH-UHFFFAOYSA-N 289.250 4.791 30 10 CJEE F[C@H]1CCCC[C@@H]1OCCCCCCCCCS 2076538847 OCAIQWQOUXWGIY-GJZGRUSLSA-N 276.461 4.944 30 10 CJEE CC(C)(C#N)CCNc1cc(Cl)c(F)c(Cl)c1F 2080266801 QHUJFCGPNSJUCG-UHFFFAOYSA-N 293.144 4.623 30 10 CJEE C=CCCCCCCCCC[C@H]1CC[C@@H]1CNC 2086260406 YVKFTSCMIQXXNW-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=CCCCCCCCCCC(=O)CCCOC 2086279290 RNLSVVYHHBQTNJ-UHFFFAOYSA-N 254.414 4.679 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 2092587991 XNPYNLRTFYAPLY-YIYPIFLZSA-N 276.342 4.751 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CCCC2(F)F)CC1 2100880537 AFNZAFAGJDUEEH-UKRRQHHQSA-N 272.379 4.988 30 10 CJEE C=CCC[C@H](C)[C@]1(CNC2CC2)CCCC12CCC2 2102099428 CGYJVSMRYUSQQT-MAUKXSAKSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ncoc1C 2104070097 KBGJRQLFHOUIRV-OAHLLOKOSA-N 266.429 4.774 30 10 CJEE CCCCCCCCCC[C@]1(N)CC[C@@]12CCCO2 2104435666 HUVZWPNAYKAKJI-IRXDYDNUSA-N 267.457 4.558 30 10 CJEE C=CCOc1ccc(C(=O)[C@H](C)CCC(C)C)cc1 2107730657 MNOAWBOFWWAPSJ-CQSZACIVSA-N 260.377 4.506 30 10 CJEE C=C([C@H](NC)[C@@H](c1ccccc1)C(C)C)C(C)(C)C 2107904941 UKQZEJFBZRQTBS-SJORKVTESA-N 259.437 4.617 30 10 CJEE C=CC[C@H](C[C@@H]1CC12CCC(F)(F)CC2)NCCC 2109409372 BPGXKMOVASRJDW-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=CC1(C[C@@H](NCC)c2ccc(Cl)c(F)c2)CCC1 2111711548 OVPFUIQGECOXPQ-OAHLLOKOSA-N 281.802 4.876 30 10 CJEE C=CC1(C[C@H](NCCC)c2ccc(OC)s2)CCC1 2111719824 FMMDTBGWUCEFEV-ZDUSSCGKSA-N 279.449 4.544 30 10 CJEE CCCC[C@](C#N)(CC)C1(O)CCCCCCCC1 2112438210 CUAQYQLGWIQJNF-INIZCTEOSA-N 265.441 4.962 30 10 CJEE CCC(CC)(CS)CN1CCCC[C@H]1c1ccco1 2115120476 ALAQAVGSSJFZHQ-AWEZNQCLSA-N 281.465 4.543 30 10 CJEE C#CCCCC[C@@H]1CCCCC[C@H]1CNC(C)(C)C 2116866013 AIIKDRHZHRJCJP-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCC#CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 2117453393 XWXRRVBBLKUQRD-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCO[C@@H](C)C[C@H]1CCCCN1 2119676705 XLYPYWZZJKRPMO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCCOC[C@@H](C)[C@H](C)N 2119718506 YDKSARNADKSVND-SJORKVTESA-N 271.489 4.907 30 10 CJEE O=CC1(C[C@@H](F)C2CCCCC2)C[C@@H]2CC[C@H](C1)S2 2121604108 ZCRDMBAWCAKTOH-IUOOZAAYSA-N 284.440 4.538 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ccc(C(F)F)o2)CC1 2125204589 UCUWILTVINKMDL-JTQLQIEISA-N 268.303 4.782 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ncccc2Cl)CC1 2125217207 QONYXSMATAJUGR-GFCCVEGCSA-N 277.795 4.690 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cc(C)cc(F)c2)C1 2125730019 ZDBFMIKJWZRLHD-KRWDZBQOSA-N 261.384 4.531 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1Oc1cc(Cl)c(F)cc1C#N 2127965561 FRANJLRJMNYFND-BFVZDQMLSA-N 281.758 4.554 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cc(Cl)c(F)cc2C#N)[C@@H]1C 2128014710 XOWNGXBBLWBLGU-RULNRJAQSA-N 280.774 4.587 30 10 CJEE C=CC[C@@H](C)[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2128420628 LDRSHTSZYRYFNC-UKRRQHHQSA-N 273.411 4.782 30 10 CJEE C[C@H](CC#N)N(C)C1CCC2(CCCCCC2)CC1 2129334410 WXWMIDURHCRUSF-OAHLLOKOSA-N 262.441 4.504 30 10 CJEE N#C[C@@]1(C[C@@H]2CC23CC(F)(F)C3)CCCCC12CC2 2132936381 AENOGWOFLJQSPK-WFASDCNBSA-N 265.347 4.676 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C=O)CCOC12CCCC2 2133777271 WTNUBGLNQFCQGE-HZPDHXFCSA-N 266.425 4.511 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@]12CC[C@@](CC)(C1)OC2 2137277487 CGDPKOZXUZQRDJ-ULQDDVLXSA-N 263.425 4.836 30 10 CJEE CCCCCC#CC[C@H](O)c1c(F)ccc(Cl)c1F 2138952497 LHRSADLHFDWDLM-ZDUSSCGKSA-N 286.749 4.625 30 10 CJEE C#C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 2138969143 BLHIHAPGJDYBEB-CXAGYDPISA-N 275.823 4.573 30 10 CJEE CCCC#CCC1(CNC)CC(C)(C)CC(C)(C)C1 2138986583 WYIZDVWDPJEDOW-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCC#CCC[C@H](NC)c1ccc(C)cc1 2138993313 HZVKDAWWSMMFSS-SFHVURJKSA-N 257.421 4.619 30 10 CJEE CCCCCC#CC[C@H](C[C@@]12CCC[C@H]1C2)NCC 2139007001 ASRCXVXKALDMHQ-KSZLIROESA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@](C)(N)c1ccc(F)c(Cl)c1 2139007045 BBJWWYCNFIWNDT-INIZCTEOSA-N 281.802 4.627 30 10 CJEE CCCCC#CCC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2139049333 UEPSYPLCTZGLTH-IXDOHACOSA-N 260.421 4.746 30 10 CJEE C#C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C1CCCC1 2139194390 FNKCSMKIYOBQPH-BZNIZROVSA-N 296.241 4.836 30 10 CJEE C=CCCCCCCC(=O)COc1ccc(Cl)cc1 2141918094 BKTZBLCLQPKSFT-UHFFFAOYSA-N 280.795 4.815 30 10 CJEE C=CCCCCCC[C@H](C[C@@H](CC)COC)NCC 2141919520 QSIUJVUQFKAUDW-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCN1C[C@@H](C)[C@H]1c1ccccc1 2141922626 IPHFGDCPMJKOER-AEFFLSMTSA-N 257.421 4.816 30 10 CJEE C=C(COC(C)C)[C@H](CC[C@H](C)CCCC)NCC 2142149278 LQHCYQMSAYICON-WBVHZDCISA-N 269.473 4.552 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1N 2142432621 SWGOODBGQPKXEM-MDZRGWNJSA-N 285.412 4.633 30 10 CJEE CCCCCCCCCCCCO[C@@H]1C[C@H]2CN[C@H]1C2 2144315215 AAYXDHTWSLIDFL-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCC[C@@]1(C)CSC(=NCC2(CC(C)C)CCCC2)N1 2146581353 BZLNVZYTFPNSBV-INIZCTEOSA-N 296.524 4.844 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H](O)C1(C)CC1 2148580522 YHCZZQAHLRXUIB-SJORKVTESA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](O)C(CC)(CC)CC 2148591024 NWCBXLHFUYUBIO-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)C(C)(C)CC 2148618863 MFCXFSFCNBCQRG-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)[C@]2(C#N)CCCC2(C)C)s1 2149431244 QWYVCFQHZBVZHV-RHSMWYFYSA-N 291.460 4.799 30 10 CJEE CC[C@H]1CCC[C@@](CC#CC2CCCCC2)(CNC)C1 2149854504 FSBLYLPCTSBOFZ-HKUYNNGSSA-N 275.480 4.766 30 10 CJEE CCCCCCCCCCOC[C@]1(CN)CC12CCC2 2154218174 YMSRFMTVJRXEDT-GOSISDBHSA-N 281.484 4.663 30 10 CJEE CSc1ccc([C@@](C)(N)CC#CC2CCCCC2)cc1 2154702006 VHCIPYDGQBDDEA-SFHVURJKSA-N 287.472 4.556 30 10 CJEE COc1cccc([C@H](C#N)[C@@H]2CCC3(CCCC3)C2)c1 2155227889 ZXLSOVRVQWKIKK-WBVHZDCISA-N 269.388 4.663 30 10 CJEE CC(C)(C)C[C@@H]1CNC(=NCCC[C@H]2CC2(C)C)SC1 2156332685 AWSLIPPMWLMCCO-KGLIPLIRSA-N 296.524 4.558 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)[C@@H]1CC[C@H](C)C1 2157924843 IDAGISKREURDMB-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE Cc1ccc(N[C@H](C#N)C2CC3(C2)CC(C)(C)C3)cc1 2158840705 YHIYNLFGFOWPEA-MRXNPFEDSA-N 268.404 4.516 30 10 CJEE CC[C@@H]1CCC[C@H](N=C2N[C@@H]3CCCC[C@@H]3CS2)CC1 2159457414 NOJSZFGJITXDEV-LVQVYYBASA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](NCC)c1nc(C)cn1C 2166615430 SDMMVPNSWGFACV-INIZCTEOSA-N 279.472 4.520 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(C(F)F)cc1 2167604940 VTCVDMYHDUZBGV-OAHLLOKOSA-N 279.374 4.714 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc2ccccc2c1 2168319672 LOXSHVVEGYVAGB-UHFFFAOYSA-N 264.368 4.842 30 10 CJEE CCC(C=O)(CC)CN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1 2168622786 GIYGCTZXLNDUNM-HZPDHXFCSA-N 281.484 4.528 30 10 CJEE CC1CCC(C#N)([C@](C)(O)[C@@H]2CCCC(C)(C)C2)CC1 2168637257 UJUOBBUSZZPGRC-CQDXFGNVSA-N 277.452 4.674 30 10 CJEE CN(CC1CC(CC2CC2)C1)CC1(CS)CCCCC1 2169271829 MNLJUBXOJRNYSQ-UHFFFAOYSA-N 295.536 4.625 30 10 CJEE CC1(C)CCC[C@@]1(C=O)Cc1csc(C2CCCC2)n1 2169817749 HHFINYFPRIREQN-KRWDZBQOSA-N 291.460 4.739 30 10 CJEE C=C[C@@H](C)C[C@@H](Cc1ccccc1CCC)NCCC 2173290380 MUQBFGYWDJSCIU-APWZRJJASA-N 273.464 4.762 30 10 CJEE N#C[C@]1(C[C@@]23CCC[C@@H](CO2)C3)CCCCC12CCC2 2173613246 VJUIZPUJVIKPIS-NXHRZFHOSA-N 273.420 4.590 30 10 CJEE CC[C@@](O)(CC1CCCCC1)[C@]1(C#N)CCCC12CC2 2173616030 QMVYBZUXHFBUCQ-ZWKOTPCHSA-N 275.436 4.572 30 10 CJEE N#C[C@]1(C[C@@H]2CC3(CCCC3)CO2)CCCCC12CC2 2173621429 FUUPMULMCXKMGS-MAUKXSAKSA-N 273.420 4.590 30 10 CJEE CSc1cccc(NC[C@H]2CCCCC2(C)C)c1C#N 2173644469 IEKNLNVKDKETIF-CYBMUJFWSA-N 288.460 4.908 30 10 CJEE CC(C)c1ccccc1[C@@H](O)[C@]1(C#N)CCC[C@@H](C)C1 2174249382 RNOZGDKBSGODBI-ZTFGCOKTSA-N 271.404 4.563 30 10 CJEE CC(C)N[C@]1(C#N)C[C@@H](SC2CCCCC2)CC[C@@H]1C 2175770601 BSADXODNUHHFCT-XIRDDKMYSA-N 294.508 4.501 30 10 CJEE CCCCCCCCCCCC[C@@H](CC1COC1)NC 2176499778 VODYLSVZMLRXMY-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=CC[C@@H]1CCCCN1c1cc(Cl)ccc1[C@@H](C)NC 2178450977 TXZHWPVSJFMBEJ-UKRRQHHQSA-N 292.854 4.555 30 10 CJEE C=CCCCC[C@H](NCCC)C(C)(C)[C@@H]1CCCCO1 2179680339 JJRSSKYBKHWCGP-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cc(F)cc(OC)c1 2179681713 XHUPSKAGHOMWQT-QGZVFWFLSA-N 279.399 4.621 30 10 CJEE C=CCCCC[C@H](NCC)c1nccc2ccccc12 2179683710 XBNOYAJQYNINAA-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cccc(F)c2F)CC1 2181633103 AAMNZAIRKCARHW-GFCCVEGCSA-N 278.342 4.920 30 10 CJEE CC[C@@](O)(C(=O)C1=CC[C@@H](C(C)(C)C)CC1)C(C)(C)C 2181669219 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CCCCCCCCC(=O)[C@H](O)[C@@H]1CCCC2(CC2)C1 2194291463 DPORCAJABDGCFM-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC 2196173975 JASFGXCBYYLZGL-SQNIBIBYSA-N 277.496 4.868 30 10 CJEE C#CC[C@H](C)C[C@]1(CNCC(C)C)CCCCC12CC2 2196860157 YDSGDHCQFJDSLM-HKUYNNGSSA-N 275.480 4.622 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1(CC2CC2)CCC1 2197142246 OAEWMPHQDMBRMU-GOSISDBHSA-N 269.432 4.648 30 10 CJEE N#Cc1cc(Cl)ccc1NCC[C@@H]1CC2CCC1CC2 2198071659 OCNLEPFSPQSKMC-JXQTWKCFSA-N 288.822 4.840 30 10 CJEE C#CCC1(NC[C@H]2C[C@H]2C2CCCCCC2)CCCC1 2200280910 DSEWNMVVBSIQDU-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)c1cc(C)cc(C)c1C 2203075585 VZABFZFUZBVONA-SFHVURJKSA-N 287.523 4.533 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccccc1CCC 2203787243 KFRUDNPZILCCKA-LJQANCHMSA-N 271.448 4.873 30 10 CJEE CCCCCC#CC[C@H](NC)c1c(F)ccc(C)c1F 2203807894 QOOSDXVXASGPOY-HNNXBMFYSA-N 279.374 4.508 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1CCCC1(F)F 2203811623 YCVFDYANNXMBDC-CVEARBPZSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1C[C@@H]1C1CCCCC1 2203819707 PNJFGNKTMYNQOX-QRVBRYPASA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@H](O)c1cnccc1C(F)(F)F 2206891662 MFEVPQGRXNYQRU-AWEZNQCLSA-N 287.325 4.660 30 10 CJEE C=CCCCCCCCCN1CCn2cccc2[C@H]1C 2207377150 LRWYKFWCOZPPGK-QGZVFWFLSA-N 274.452 4.781 30 10 CJEE C=CCCCCCCCCN1C[C@H](CC)OC[C@@H]1CC 2207377982 KLKQMXVZMPQXHI-ROUUACIJSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@](C)(O)CC(C)C 2207388681 ANUCHBOEODCIDA-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1CCC[C@@H](CN)C1 2207393870 XNSXHZGAAQEJHY-SJORKVTESA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCC(=O)c1cccc(F)c1N 2207406366 XQFOOCROHAXHQJ-UHFFFAOYSA-N 277.383 4.897 30 10 CJEE CCCN[C@@](C#N)(CSCC(C)C)C1CCCCCC1 2208097896 NTJOYURWJLBRPU-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE CCCCCCCC[C@](C)(N)c1cc(C)cs1 2217292322 ZILZVDJKCUDWPA-HNNXBMFYSA-N 253.455 4.981 30 10 CJEE CCCCCCCCCNC1CC(CC2CC2)C1 2218559388 AIILKPOYFICPSQ-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCCNC[C@H]1CCCC1(F)F 2220087290 UVNOJPZJMUNZRR-CQSZACIVSA-N 259.384 4.538 30 10 CJEE CCCCCCCOC(=O)c1cc(Cl)cnc1Cl 2221149112 DMSJNEYBUVEOSJ-UHFFFAOYSA-N 290.190 4.516 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@]12CC2(F)F 2223857699 QTWQZFMYNSTOMG-MELADBBJSA-N 259.384 4.513 30 10 CJEE N#CC1(C[C@H]2CC[C@H]2C(F)(F)F)CCC(F)(F)CC1 2224453505 HJSQONMYZDCTLU-NXEZZACHSA-N 281.268 4.684 30 10 CJEE CCCCC#CC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2225674930 SDJOGOWNVYZKDG-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE CCCCCCCOc1cc(CNC2CC2)sc1C 2226516423 HZOLOQOEKMARLD-UHFFFAOYSA-N 281.465 4.658 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCCC(C)(C)O1 2226879589 KKKYDVIJTUNPTO-HOTGVXAUSA-N 269.473 4.802 30 10 CJEE C=CCCCCCCC[C@](C)(CC)CNCCOC 2227272178 CRRZDINKLFYTTA-KRWDZBQOSA-N 269.473 4.555 30 10 CJEE C=CCCCCCCC[C@@](N)(C1CCC1)C(F)(F)F 2227276863 UUAFVAQITPZAMG-CQSZACIVSA-N 277.374 4.963 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)[C@]1(C)CC1(F)F 2227281088 QDOFIGCQTVNLKQ-CABCVRRESA-N 273.411 4.879 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CCOCC1(C)C 2227289588 AGHPXSNDCAABHY-HNNXBMFYSA-N 266.425 4.535 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCO[C@]1(C)CC 2227291410 QTPNEJLISKYRIL-SJORKVTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@]1(N)CCC12CC(F)(F)C2 2230721704 LEWYHKYJSYSLRF-HNNXBMFYSA-N 271.395 4.810 30 10 CJEE CCCCCCCCCO[C@@H](C)CCNCC(C)C 2230990072 MBNIHLMPIASEAV-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCO[C@H]1CCC[C@H]1NCCC 2230994748 LMGMPDRRDLOIRY-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CCC)CN[C@@H](C)CC 2231016301 MOHHBUUSTSQLPW-GVDBMIGSSA-N 269.473 4.695 30 10 CJEE CCCc1ccc(C#CC(=O)c2ccsc2Cl)cc1 2231119652 HUYBOTGLCKLEDT-UHFFFAOYSA-N 288.799 4.588 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@]1(C)CCCOC1 2231907375 OVFICVYHNUESPM-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1COC[C@@H]1CCC 2231925152 LMHMSAKNRFPVCZ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)NCC1CC2(CSC2)C1 2231947387 YEBNAMSDALFKKX-HNNXBMFYSA-N 283.525 4.858 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCC1CC(OC(C)(C)C)C1 2232964466 NSWKZCWPQAVSDW-MMIPBJDJSA-N 280.452 4.756 30 10 CJEE C=CC1(C[C@H](Cc2ccc(F)c(Cl)c2)NCC)CCC1 2233414468 VMBUOVURPGLVLE-AWEZNQCLSA-N 295.829 4.746 30 10 CJEE COc1cc(Sc2ccc(C(C)C)cc2)ccc1C#N 2234339221 IRERLDCKRRPRGM-UHFFFAOYSA-N 283.396 4.841 30 10 CJEE C=CCCCCCCC[C@@H](N)COc1cccc(Cl)c1 2235525285 AFOHMQRKPALBAW-MRXNPFEDSA-N 295.854 4.963 30 10 CJEE C=CCCCCCCCOC1CC2(CCC(N)CC2)C1 2235527827 ZFCOHCJNEJRREM-UHFFFAOYSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccccc1OC 2235531561 AFOKQSZBBDYAIO-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE C=CC1(CN(C)CC2CCC(C(F)(F)F)CC2)CCC1 2235955780 IUZXXCGKWHOPNJ-UHFFFAOYSA-N 289.385 4.643 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCCCC(F)F)NC 2238412017 LZTDNKUMCTZKQP-HOCLYGCPSA-N 293.442 4.511 30 10 CJEE CCCCCCCCCCO[C@](C)(C(=O)O)[C@@H]1C[C@@H]1C 2239480655 DTCUKWHZICBEIU-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CCCCCCCCOc1c(C(=O)O)ccc(C)c1F 2239595009 XPUIEURDGBRFLC-UHFFFAOYSA-N 282.355 4.572 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccccc1CCC 2240143486 CYHSELHGIKFANL-DLBZAZTESA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCC(C)(C)CO1 2240650352 SGKKPYWEWFROGG-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CC[C@@H](N(C)C)CC1 2240653961 MJQQRIVOQROHQP-KURKYZTESA-N 282.516 4.588 30 10 CJEE C=C(C)C(=O)c1c(Cl)cc(Br)cc1Cl 2241532709 NDBPUUHWTNQHFT-UHFFFAOYSA-N 293.975 4.515 30 10 CJEE C=C(Br)CCOCC[C@@H]1CCCCC12CC2 2242743263 YGYSABPOSHHMLQ-ZDUSSCGKSA-N 287.241 4.662 30 10 CJEE C=CC1(CCc2c(F)cccc2Br)CCC1 2245298302 DXWFRYQTCQTEGH-UHFFFAOYSA-N 283.184 4.877 30 10 CJEE Cc1ccc(CC=CC#CC(C)(C)C)cc1Br 2253025726 YBJJTRYWCDHZHO-UHFFFAOYSA-N 291.232 4.906 30 10 CJEE C=CCC[C@H](C)[C@H](NC)C1CC(CC(C)(C)C)C1 2261197838 SBVPEUYOCZRSEE-LBDPXKHJSA-N 251.458 4.639 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCC2=CCCC2)C1 2264151842 PYOIOKCNDQXYNV-VNQPRFMTSA-N 263.450 4.938 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC2(C)CC(C(F)(F)F)C2)C1 2264523653 GHUBLNYLGISSRF-RYSNWHEDSA-N 276.342 4.751 30 10 CJEE C=CCC[C@H](C[C@@H]1CC(F)(F)C12CCC2)NCCC 2266343126 SUMBDKKMSLBPPX-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)CC=CC#CC(C)(C)C 2268735552 NTAJKMCSRBJLSR-AEFFLSMTSA-N 262.437 4.704 30 10 CJEE CC(C)CCC[C@@H](C)CCOCC1(CS)CC(F)C1 2269406982 SSQJWMWUKHNZIN-QQFBHYJXSA-N 290.488 4.904 30 10 CJEE C=CCCCCCCCSC[C@@](C)(C#N)NCCC 2271515355 IUDDTNULFDPZQS-MRXNPFEDSA-N 282.497 4.528 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1C(F)(F)C12CCC2 2271792909 SLCFPNJFSWEYRJ-KBPBESRZSA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@H](CC[C@H]1C[C@H]1CC)OCCN 2276076819 RWQMVDSJIKCESZ-IXDOHACOSA-N 269.473 4.517 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1cccs1 2276145691 RBGWPQXEMWPJFY-OAHLLOKOSA-N 281.465 4.681 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C(C)(C)C 2276437098 PIGQKAUTNPKKBQ-INIZCTEOSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H](C)[C@H](C)CC 2276635052 DLEBPSODBJIOIO-IKGGRYGDSA-N 271.489 4.763 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CC[C@H]2CCCCC23CC3)C1(C)C 2279737184 NROGUROGGSYMLR-IIDMSEBBSA-N 275.436 4.692 30 10 CJEE CC(C)(C)c1ccc(C#N)c(SC[C@H]2CC23CCC3)n1 2279978742 JONWBNAPKQQGKZ-CYBMUJFWSA-N 286.444 4.533 30 10 CJEE CN(CC[C@H]1CCCC12CC2)c1ccc(C#N)c(Cl)c1 2281442346 LEWBFLSWPGREIK-CQSZACIVSA-N 288.822 4.618 30 10 CJEE Cc1ccc(Cl)c([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)c1 2283238703 VBYVKLXPBZTBNO-NVXWUHKLSA-N 291.822 4.792 30 10 CJEE C=CCCCCCCCOc1ccc([C@@H](C)O)c(C)c1 2283335042 CMIIPDWLDHPGDE-MRXNPFEDSA-N 276.420 4.954 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1C(C)=CCC[C@H]1C 2284109450 MZMSRXGRXQOUAE-KZNAEPCWSA-N 273.464 4.563 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cc(F)cc(Cl)c1 2284116193 RRYIVHPNLNPJBM-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCCOC1(C)C 2287412465 DEMMJSIAQGMNAA-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H](OCC)C1CCCCC1 2287465540 AQWHLPUCVSICBF-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](COc1ccccc1)NCCC 2287468311 SROFOBVIJHEONP-KRWDZBQOSA-N 275.436 4.570 30 10 CJEE CN[C@@H](C#CC1CCCCC1)[C@H]1CCCC(C)(C)CC1 2289705462 MPXUQVYUTVPIGJ-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H]1CC12CCCCC2 2289708593 CVYVZDZJVAIGNP-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2289777106 NJRPLKSZKQAIFY-FCGDIQPGSA-N 274.448 4.538 30 10 CJEE C(#CC1CCCC1)CNc1cccc(C2CCCC2)c1 2289840512 RFGAKTSIRQGKIR-UHFFFAOYSA-N 267.416 4.950 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CCC1CCCCC1 2289860265 TVNXVINSCIVMOC-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@]1(C)CC=C(C)CC1 2289867988 NDINAWYTKPCDRO-RBUKOAKNSA-N 273.464 4.685 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)C=CC[C@@H](C)C1 2291931275 PBUUOIQUDOQTPB-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@](C)(CC=C)OCCN 2292575204 YNRXFVHUGGMTMP-SFHVURJKSA-N 281.484 4.993 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)CCC[C@@H]1C 2292650347 QPLIVADKZHMSOV-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1C(C)(C)C)OCCN 2292864471 VFPYJHDLYJKNFY-GVDBMIGSSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@](CCC)(OCCCN)C(F)(F)F 2293677727 CNLPIGXJNCVLRD-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)OCCN 2294113518 IVCAIXUJBIBZME-KZNAEPCWSA-N 281.484 4.517 30 10 CJEE O[C@@H](C#Cc1ccccc1Cl)c1cccc2ccsc12 2295218295 BHTZENDBUIFZOA-INIZCTEOSA-N 298.794 4.640 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC(=O)O)C(C)(C)C 2295532065 RNQSVVUQFHLJMA-OAHLLOKOSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)C12CC(CO1)C2 2295680172 WOOXLIFMPYJYSK-VYMRPNJYSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cncc(F)c1 2295684160 JBDGKYBBYDGDQE-OAHLLOKOSA-N 280.431 4.840 30 10 CJEE CCc1ccc(Oc2ncc(C#N)s2)c(C(C)(C)C)c1 2296264418 NNRDOMZBIBPOBM-UHFFFAOYSA-N 286.400 4.667 30 10 CJEE C[C@H]1CC[C@H](CSc2nc(Cl)c(C#N)s2)CC1 2299046907 BZSUZAZKOXZLLL-KYZUINATSA-N 286.853 4.587 30 10 CJEE N#CCC[C@H](N=Cc1cc(Cl)ccc1O)c1ccccc1 2302820858 VOGOJAKANHJUDA-INIZCTEOSA-N 298.773 4.510 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc(Cl)cc1CC 2304051061 DALJRPOWTMIBBG-AWEZNQCLSA-N 251.801 4.505 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1cc(C)c(Br)c(C)c1 2304127403 GGVMLYBHXZLJPE-AWEZNQCLSA-N 297.236 4.702 30 10 CJEE C=CCC(CC=C)S[C@@H](c1sccc1C)[C@@H](C)N 2313646359 YBFYJRHSSHVACE-IUODEOHRSA-N 281.490 4.699 30 10 CJEE C=CCC(CC=C)Sc1sc(CNCC)cc1C 2313699792 VIJJYRPNJHVJRG-UHFFFAOYSA-N 281.490 4.779 30 10 CJEE C=C[C@@H](C)C[C@H](CC=C(C)CCCC(C)C)NC 2316579851 SCMWRRRKPFUUGV-WBVHZDCISA-N 251.458 4.949 30 10 CJEE CC1(C)CC[C@H](C[C@]2(C=O)CCCCC2(C)C)C1 2319037358 QEYJKPYKHODFOW-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCN[C@@H]1CCCC[C@@H]2C[C@@H]21 2319440037 WLOHCCUIFAQFBE-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1cccc(Cl)c1Cl)C2 2326722165 MEFNLIYPBQKNQP-WGRBQBNCSA-N 282.214 4.534 30 10 CJEE CSc1cc(NCc2ccsc2Cl)ccc1C#N 2328522329 HPPPLQUWXJLCEP-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C(C)C)NN 2332806491 NWNMSPCSTGLFAM-IKGGRYGDSA-N 268.489 4.641 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@@H]2C=C[C@H]1C2 2333365118 CVROMXCWPRBVCP-SQNIBIBYSA-N 261.453 4.705 30 10 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GJSOPGRGVKHXMN-CQSZACIVSA-N 284.230 4.741 30 10 CJEE C=CCCCCCCCSCCC1CCNCC1 2259052490 YOQMPNZQFMSKNZ-UHFFFAOYSA-N 269.498 4.636 30 10 CJEE C=C(C)CCCC[C@@]1(CNC)CCC[C@H](CC)C1 2259238457 TUNGEUXBCBTHNI-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CCCCC#CCNCC[C@@H](C)CCCC(C)C 2259613951 GSWLUIJKICGIPA-KRWDZBQOSA-N 251.458 4.622 30 10 CJEE N[C@H](C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2261018552 MZWYECATKUQCPQ-OAHLLOKOSA-N 282.214 4.577 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](C)C(C)(C)O1 2263650673 VSDDHJOCWMZNAG-HOCLYGCPSA-N 255.446 4.630 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CSC1(C)C 2263718397 QNWFWMHGQDOUTO-LSDHHAIUSA-N 271.514 4.999 30 10 CJEE CCCCCCCCC[C@@]1(N)CCC[C@H]2CC[C@H]1O2 2268591719 GDAPZKLIAQJENJ-GVDBMIGSSA-N 267.457 4.556 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCCC(F)(F)C1 2271711150 VLMDGASPFHQBNM-TZMCWYRMSA-N 273.367 4.547 30 10 CJEE C=C(C)CCCC[C@@H](N)C1C2CC3CC(C2)CC1C3 2271790871 IVLTYDWQGCYZON-SVXFNXITSA-N 261.453 4.523 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](C)(F)C(C)(C)F 2271796265 DMIRTVJPKMQLHC-ZBFHGGJFSA-N 275.427 4.967 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@]12CCCC[C@@H]1CC2 2273338725 ZUGLYFGYAGYMLP-QAPCUYQASA-N 258.405 4.522 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cccc(C2CCCC2)c1 2273521957 UENBYHALKPILGS-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE SCCCCCCCN1CC[C@@]23CCCC[C@@]2(C1)C3 2277511139 ZIGMEQMUBZDRET-SJORKVTESA-N 281.509 4.523 30 10 CJEE O=C(C1=CCCCC1)c1ccc2ccc(Cl)cc2n1 2277684826 OCCNQXJEENUTPV-UHFFFAOYSA-N 271.747 4.571 30 10 CJEE CC(C)[C@@H]1CC[C@H](CN)[C@@H](CC=CC#CC(C)(C)C)C1 2284084056 NHQLDXXTPLIRKN-FGTMMUONSA-N 275.480 4.629 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(C)cc1C 2284096370 RSVIWLFHDYXKKA-SFHVURJKSA-N 269.432 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(CN)CCCCC12CCC2 2284110602 FEVADIKTUSSTHV-LJQANCHMSA-N 273.464 4.672 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C(C)(C)C1CCC1 2284171036 SACQLDDEBNHMGA-QGZVFWFLSA-N 275.480 4.787 30 10 CJEE CN(CC=CC#CC(C)(C)C)CCC(C)(C)C(F)(F)F 2284176779 DXMVATPVRZXIOS-UHFFFAOYSA-N 289.385 4.503 30 10 CJEE C=CCCCCCCCSc1ncc(CCN)cc1C 2287084204 NWVLPRJRQVKOSC-UHFFFAOYSA-N 292.492 4.510 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cc(C2CC2)ccc1F 2287321218 UIQJTBXQICBFHH-UHFFFAOYSA-N 286.737 4.972 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(OC)c(OC)c1Cl 2287419190 KPZKYXSOSZBZCW-ZDUSSCGKSA-N 298.810 4.527 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2287465953 DDQSLPKHSOOTQB-XUWVNRHRSA-N 285.422 4.782 30 10 CJEE C=C(C)CCCC[C@@H](NN)C1CCC(C(C)(C)C)CC1 2287469438 GNNKLZBJUOSDEG-OFLPRAFFSA-N 280.500 4.807 30 10 CJEE C#CC1(NCC2(C(C)(C)C)CCC2)CC2(CCCC2)C1 2288211194 XXCBOGDNEKNZIX-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE CC[C@@H](C)c1ccc(Oc2ccnc(C#N)c2C)cc1 2288436004 ZXJKYLBIMYALOL-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CC1(C)CC([C@@H](O)CC#CC2CCCC2)CC(C)(C)C1 2289867295 LCWACYDEDYGADQ-KRWDZBQOSA-N 276.464 4.784 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C(C)C)OCCC(=O)O 2292424720 GPJCJUOCHFVBNE-HOTGVXAUSA-N 286.456 4.889 30 10 CJEE C=CCCCCCC[C@](C)(OCCC(=O)O)C1(C)CC1 2292425582 FFULZFYWSLOGOR-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCC[C@@H](CCC)CC1 2293052494 WEVYHMPEOOZHPB-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC1(C)C)OCCCN 2293643680 SJPQPDJMLAPMLI-DLBZAZTESA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCCC[C@@H](CC1CC1)OCCN 2293747978 MNJGHJLLEHEYFT-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@@H]1CCC)OCCN 2293943865 VEAFCUCKHPPFEI-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C#CC[C@@H](C)C[C@@H](CCCCCCCC)OCCCN 2294050590 KZMJYBTWEOOAJD-QZTJIDSGSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@](C)(CC(C)(C)C(F)F)OCCN 2294086567 NEYKEMBFAHWZOX-MRXNPFEDSA-N 293.442 4.762 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1C[C@@H]2C[C@H]2C1 2294328510 UEFFUHRKCCSOKG-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@]12CCCC[C@@H]1C2 2294360314 CWICMVNWCNGXLD-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@](C)(CO)NC1CCCCC1 2295531401 KYZPMWAPLAPLNO-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@]2(C)CO[C@H]1C2 2295689705 TWIIMQVPQWSZDR-XLAORIBOSA-N 281.484 4.673 30 10 CJEE CCCC[C@H](CC)CSC[C@@H](O)c1ccc(C#N)cc1 2295697268 PXUIRIGFHXXCCC-WMLDXEAASA-N 291.460 4.541 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@@](C#N)(NC2CC2)C1 2295766623 OZUCSBUOEIKOIA-USXIJHARSA-N 294.508 4.503 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cccc(Br)c1F 2304057593 DMPPVKCAULEPNW-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE CCC[C@H](CC)COC[C@](C)(CS)C(C)(C)C 2307924829 ZVPBFZJGFXCAAV-DZGCQCFKSA-N 260.487 4.812 30 10 CJEE CC(C)C[C@@H](CS)COCCCCCC1CC1 2308055379 DXOUDAVSOCEFJB-OAHLLOKOSA-N 258.471 4.566 30 10 CJEE CC(C)C[C@@H](CS)COCC1(C)CCCCC1 2308058899 XULZVRIWBGSMBM-CQSZACIVSA-N 258.471 4.566 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2C[C@@H]21 2308624258 OVDLAGJXXYJBFC-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1C1CCC1 2311489066 WRGTZHYSDNGTTB-ZACQAIPSSA-N 252.442 4.924 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@]12C[C@H]1[C@H](C)C2 2312118328 ZEMHPUOUXXCYOK-LTIDMASMSA-N 250.426 4.700 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCCC[C@@H]1NCC 2313525551 XWMYDSUTXGMZBV-JYJNAYRXSA-N 269.498 4.775 30 10 CJEE C=CCC(CC=C)S[C@@H](c1cccs1)[C@@H](N)CC 2313529218 MFFPXMLHTLQHLD-DZGCQCFKSA-N 281.490 4.781 30 10 CJEE C=CCC(CC=C)Sc1cccc(SC)c1C#N 2313704019 HMKXIBKQLPHDIB-UHFFFAOYSA-N 275.442 4.893 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccccc1CSC 2321116371 JDPFKVQJHUFQOF-HOTGVXAUSA-N 263.450 4.542 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCC1(C)CC1)NCC 2321140372 GZXVFOIHXKHRNS-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CCC(C)(C)C(F)(F)F)NC 2321147922 LEFPHKMCDGSJIX-LLVKDONJSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cnc(C(C)(C)C)s1 2321167855 VCQVJDAKRZQHIJ-OAHLLOKOSA-N 265.422 4.616 30 10 CJEE CSc1cc(NC(C)(C)C(C)(C)C)ccc1C#N 2328520676 ICRMPDXARYVCDT-UHFFFAOYSA-N 262.422 4.517 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2333706388 MHYKZEKXKBMTMP-ADHGMGHFSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)Sc1nnc(Cl)c2ccccc12 2335179683 APJWHSVXBHEHON-UHFFFAOYSA-N 290.819 4.896 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1ccc(CCC)cc1 2338696395 OQKHXEVCURWTDP-SFHVURJKSA-N 258.405 4.615 30 10 CJEE C=CCCCCCCCSC1C[C@H]2CNC[C@H](C1)C2 2340178833 FFWYQJVHVREVSC-HOTGVXAUSA-N 281.509 4.634 30 10 CJEE C=CCCCCCCCNCc1ccc(COC)s1 2342228022 DPRBNRKSLFVDRK-UHFFFAOYSA-N 281.465 4.511 30 10 CJEE CC1(C)C[C@](C#N)(C[C@@H]2CC[C@@H]2C(C)(C)C)CCO1 2343242523 SQEOSFOZOQFJDU-GRDNDAEWSA-N 263.425 4.548 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cccc(C)c1)NCCC 2344339526 JSJFCOFVVUTNLW-KRWDZBQOSA-N 259.437 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(Cl)c1OC 2344339848 MNRMTJIYHUBHSZ-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C)cc1C 2344341715 DSPQVQTZFXAFMN-MSOLQXFVSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@]12CCC[C@H]1C2)NCCC 2344342685 ASZSFYWBWBKJNA-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC(F)(F)C1)NCC 2344374646 JNIBJKCIZOGICH-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(C(C)(F)F)CC1)NCC 2344386719 YLIHZGZEDCVAGX-UONOGXRCSA-N 273.411 4.782 30 10 CJEE CCCCCCCCCCCO[C@@H]1CNC[C@@H]1CC 2344731904 DHLLIMBRRDZZPH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCNC1(c2nccs2)CCC1 2351702127 DNYYIWHBDCWJCG-UHFFFAOYSA-N 280.481 4.863 30 10 CJEE CSc1cc(N[C@@H](C)c2ccc(C)s2)ccc1C#N 2353829504 BFESWHQMDWWJCH-NSHDSACASA-N 288.441 4.823 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CC2 2355394234 ZILDTOJTUBFDMP-FQLMCAECSA-N 279.374 4.922 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)[C@@H]1C[C@H]1C1CCCCC1 2357744447 PJXWNEBWIATHNZ-GVDBMIGSSA-N 288.822 4.860 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@H]2C[C@@H]1CO2 2359118170 REFKYSPJDVLFHJ-XWTMOSNGSA-N 281.484 4.660 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1F)c1ccc(C#N)cc1 35284377 OLLGQYVWPMDWIO-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 37344711 SNAKHOPMWGIWCC-RYUDHWBXSA-N 295.785 4.872 30 10 CJEE CCCCC[C@@H](C)Nc1cccc(OCCCC#N)c1 37777488 RBVNRUMXTDBPGK-OAHLLOKOSA-N 274.408 4.750 30 10 CJEE CCCCCC[C@@H](C#N)Nc1ccc(Br)cc1 37936203 LBGHBNPQIGRGMU-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE CCCCCC[C@H](C#N)Nc1cccc(Cl)c1 37937176 RLBJBSXIFUVJOK-CQSZACIVSA-N 250.773 4.614 30 10 CJEE CCc1ccc([C@H](C#N)Cc2ccccc2Cl)cc1 41390995 LHUJYCMUFQOXGD-INIZCTEOSA-N 269.775 4.752 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Nc1ccccc1-c1ccccc1 54823060 OWXGNYLYUMXXIG-AEFFLSMTSA-N 276.383 4.848 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2cccc(Cl)c2)c1 57685837 MWMKHFFOGMDSCE-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccccc2C)cc1C 57687016 UZFUXPLZQOXFTK-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CCCCCCCCN(CCC#N)c1ccccc1 59089301 PRGRIKNOLZMQAR-UHFFFAOYSA-N 258.409 4.767 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc2c(c1)CCO2 59290863 YAJMUAGTFMJKIK-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1OC 59456615 QPHXTNNVNDHSLR-CYBMUJFWSA-N 294.395 4.764 30 10 CJEE Cc1ccc(C(=O)/C=C/c2c(O)ccc3ccccc23)cc1 62167832 GRJYGRURONYIIR-ACCUITESSA-N 288.346 4.750 30 10 CJEE C/C(=C\c1ccccc1)CCCNc1ccc(C#N)cc1 76287937 RETSJRJFBYUJFA-JQIJEIRASA-N 276.383 4.854 30 10 CJEE Cc1ccc(SCCCCCCS)c(C)c1 87096216 ZCTFUZMRKOBNQH-UHFFFAOYSA-N 254.464 4.886 30 10 CJEE CCCCCCCCCCN1CCC(CCC(=O)O)CC1 88379102 YPCIRIAKEIFHGQ-UHFFFAOYSA-N 297.483 4.704 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)C2(C)CCCC2)cc1 94902737 YSBAXVMHMIGOCZ-MRXNPFEDSA-N 269.388 4.567 30 10 CJEE C=C(CC)C[C@H](CCc1cccc(C)c1)NCCC 97284212 PIKAINGPXTVIDS-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)C1CCCCC1 104162700 PWYLLLBPUQTNGM-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1ccc(C#N)cc1Cl 104184803 BRIONZVRHVSZHI-TZMCWYRMSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCCCCO[C@H](C)CNC 109652715 CESFQFLVVQZYSY-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@H]1CO 110048648 YASZDVVKVPGBKE-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)cc(OC)cc1F 110220008 WHQNYGMWLDJPIG-OAHLLOKOSA-N 285.378 4.594 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265669 HKVQURPZOQSSOI-GVDBMIGSSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN(CC)[C@H]1CCCNC1 110942694 CDNMJQFNJYLCOS-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@H]1CCC 114071350 HVVSGICOKPUOBX-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCOc2ccccc21 116260209 KZIIHMBSYCBDQK-WBVHZDCISA-N 276.420 4.664 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1C1CCNCC1 117176893 BLNKQCLBPMVTRG-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)N(CC)CC 118141650 MZZPOQMZWNKSCO-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCC[C@@H](CC)CNc1cc(C#N)ccc1Cl 125777654 BXOUNCVPAHMKDI-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE CCCCc1ccc(OCc2cc(F)cc(C#N)c2)cc1 126288421 PKPKCWFIISZYNQ-UHFFFAOYSA-N 283.346 4.619 30 10 CJEE Cc1cccc2sc(Nc3cc(C#N)ccc3Cl)nc12 127981815 UAZMIDXPUVVDBN-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C#CC[C@H](CC)N[C@H](CCC)c1ccc(Cl)cc1 129759134 QFESTUAOPRKVTC-JKSUJKDBSA-N 263.812 4.573 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCO[C@@H]1C1CC1 131391723 SWWISZBQERUUBA-RTBURBONSA-N 295.511 4.922 30 10 CJEE C=CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNCCC 156288110 DUCYGKCQDGLUOV-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE Cc1ccc([C@](C)(O)C2(C#N)CCCCCCC2)cc1F 156836667 JZDADEUKHDTMCI-KRWDZBQOSA-N 289.394 4.596 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)CC2CCCCCC2)cc1C 162030445 RSMMUFIREHKRRL-SFHVURJKSA-N 283.415 4.840 30 10 CJEE C=CCN(c1ccc([C@H](C)NCC)c(Cl)c1)C(C)(C)C 162268815 JSKQUQTXOABMSC-ZDUSSCGKSA-N 294.870 4.801 30 10 CJEE CCCCCCCC[C@@H](NC)C(CC)(CC)OC 164484856 KCKHYIVLYZERGO-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@H](NC)C1(c2ccccc2)CCCCC1 164582489 CCIRXXHXWPSCLT-SFHVURJKSA-N 271.448 4.833 30 10 CJEE CCCCCCCCC[C@H](N)C1(OCC)CCCC1 164685981 QFWBXGGXTXFJBS-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(Cl)cc2F)CC1 165706102 UXRYRQKLTYNDLC-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CC(C)CC(C#N)(CC(C)C)Nc1ccc(F)cc1 165898735 BMSWRLQBEIEGAT-UHFFFAOYSA-N 262.372 4.592 30 10 CJEE C=CCC[C@H]1C[C@H](CC)CC[C@H]1CNC(C)(C)C 227522777 FJJHCEWKGOKERH-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OCC)c(Cl)c1 228824312 ABEGBRLWKBSIQV-NSHDSACASA-N 253.773 4.505 30 10 CJEE C#C[C@H](CCC)N[C@H](CC)c1ccc(Cl)cc1Cl 229921037 PSNKNPRBFSCAPH-IUODEOHRSA-N 284.230 4.836 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](O)C(CC)CC 232917961 XMYLFMMXXKDMGQ-IRXDYDNUSA-N 272.473 4.675 30 10 CJEE CCCCc1ccc(Nc2ccc(C)cc2C#N)cc1 233022869 RJZDEZFCOAUKGW-UHFFFAOYSA-N 264.372 4.953 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(Cl)o1 233608586 NMLDTDPXAUDQSA-GFCCVEGCSA-N 255.789 4.720 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCC[C@@H](CC)C1 233917935 YAQPGWANNNLHBF-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE Cc1ccc(Sc2ccc(C)cc2C#N)c(C)c1 235885582 YNXFJYLDBMPYQF-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE O=C(C1=CCCCC1)c1cc(F)ccc1C(F)(F)F 236246439 ZLSFVDFCWBHPQD-UHFFFAOYSA-N 272.241 4.528 30 10 CJEE CC(C)(C#N)C[C@@H]1CCC[C@@H]([C@H](F)C(F)(F)F)C1 261038152 CHPMBIJTRRALAP-MXWKQRLJSA-N 265.294 4.633 30 10 CJEE CCCC[C@H](C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 302460075 WHAQJOIRSSQDJV-GXFFZTMASA-N 298.213 4.996 30 10 CJEE Cc1cc(F)c(F)cc1Oc1ccc(Cl)cc1C#N 311368421 HNLBPXXPHWMJSA-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCCN(CC(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 312637074 ZILGSFCOXGCNFC-BRWVUGGUSA-N 278.484 4.709 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(F)cc2Cl)C1 316831179 LPANKMJBIZNPTH-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CCCCC2(F)F)C1 317001770 RACBTRYAVXUTRT-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@@H](OCC)C1(C)C 328409287 OPOINDCHDRBMMS-IXDOHACOSA-N 283.500 4.906 30 10 CJEE C#C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1 378659670 FXIIBAOEHNBJQZ-HNNXBMFYSA-N 276.166 4.780 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 383532920 BJSHYXCCJHIGEP-GFCCVEGCSA-N 287.325 4.592 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@H](C)[C@@H]1CC 383948764 SKFAPOOZWJOLCR-KSZLIROESA-N 282.516 4.575 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCC2(CCCC2)O1 384879413 QKYRAKVMARQZKF-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE C=CCCCCCCNCc1cc(C)sc1C 393861086 HMGCRXXQQGAFEE-UHFFFAOYSA-N 251.439 4.591 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCCC23CCC3)cc1 394771363 UPAIZQOGBFTDFB-MRXNPFEDSA-N 268.404 4.622 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)C1CCCC1 397134369 URNQSQQHAYVMBM-CZUORRHYSA-N 290.838 4.663 30 10 CJEE CC(C)(C)[C@@H](C#N)CSCc1ccccc1Cl 397508450 IRJZCAJQTZEINM-LBPRGKRZSA-N 267.825 4.759 30 10 CJEE CC(C)[C@@H](C#N)CSc1ccc(C(C)(C)C)cc1 397546167 GAODNWLORWTQAT-ZDUSSCGKSA-N 261.434 4.872 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@@H]2CNC[C@H]2C1 400927344 MSIHMKWKAZLUDH-ZACQAIPSSA-N 269.448 4.855 30 10 CJEE C=C[C@H](C)NC(=O)N(CCCC)[C@H](CC)c1ccccc1 464752505 BCGNFOYWPMNHGR-DOTOQJQBSA-N 288.435 4.524 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 686709242 QZRRNMNKHQDQTE-OLZOCXBDSA-N 274.326 4.508 30 10 CJEE C/C=C(\CC)C(=O)CC1(c2ccccc2)CCCC1 686735501 UJVMECHTJKQOPE-CRKCGEKBSA-N 256.389 4.814 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)CC1CCCCC1 689837757 NPPIJBDJPQCBND-GFCCVEGCSA-N 274.383 4.777 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2cc3cscc3s2)C1 693992297 GVLVQLHWBSWTOO-KMUNFCNLSA-N 291.441 4.716 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)NC1CC1 695803917 KJUUAHNJMXZTGD-WMZOPIPTSA-N 283.500 4.799 30 10 CJEE CCCCCCCC[C@@]1(O)Cc2ccccc2[C@@H]1C 698989691 UDBVOCAMLUQRDY-MAUKXSAKSA-N 260.421 4.828 30 10 CJEE CCCc1ccccc1Oc1cccc(Cl)c1C#N 699506881 OTUKXTXDINFWLF-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc2ccncc12 702772560 AGYYNFBVEMULJN-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1ccsc1 704038833 IGQSZGIJNFJFFG-CQSZACIVSA-N 251.439 4.781 30 10 CJEE C[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1C(F)(F)F 704940321 KKSGHBCHCSCVEK-MFKMUULPSA-N 283.293 4.535 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(Cl)c1 710565305 DJQINEOEMWPWCV-ZDUSSCGKSA-N 258.192 4.523 30 10 CJEE C=C(Cl)C[C@H](Cc1c(F)cccc1Cl)NCCC 710583488 IYZFYFPPLLQGEQ-LLVKDONJSA-N 290.209 4.532 30 10 CJEE C=C([C@@H](C[C@@H](CC)C(C)(C)C)NCC)C(F)(F)F 711082040 MRKTVFFKDMCEMW-VXGBXAGGSA-N 265.363 4.545 30 10 CJEE CCCC1CCC(C#N)(Cc2ncsc2Cl)CC1 711984545 YTYIMOQJIVFBBU-UHFFFAOYSA-N 282.840 4.839 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NC 712959815 DDPIAJRAZMEQTB-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE CC[C@H](C)CC/N=C1/NC2(CCCCCCC2)CS1 713195647 SMSZZTDEJIGNQE-AWEZNQCLSA-N 282.497 4.598 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C(C)(C)c1ccccc1 715703655 HLZDMVSRQCVSIV-NVXWUHKLSA-N 259.437 4.545 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)cc1Br 715727358 YILOOIUOOOYJQS-WFASDCNBSA-N 296.252 4.620 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(C)c1 715767161 BKHNQBVXVISNAR-MLGOLLRUSA-N 265.828 4.901 30 10 CJEE CCCCCCCCCCNCc1cc(C)co1 718136699 WPKPAHKETMMENO-UHFFFAOYSA-N 251.414 4.818 30 10 CJEE C=C(CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 723610504 IHGOAFREQAKKGW-IPMKNSEASA-N 269.432 4.648 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 724373433 FORMWGLYKPGUNW-GRVSVYIRSA-N 280.452 4.612 30 10 CJEE C=C1CCC(C[C@H](N)[C@H]2CCCc3sccc32)CC1 724615422 GFPPZESXUXYUJR-HOCLYGCPSA-N 275.461 4.632 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1ccc(Cl)cc1C(C)C 932021689 JPUXMLZVBKHYCF-CYBMUJFWSA-N 292.810 4.646 30 10 CJEE Fc1cccc(C=NNc2cc(Cl)ccc2Cl)c1 1083946206 SAOLNQZWENBVMW-UHFFFAOYSA-N 283.133 4.579 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1coc2ccc(Cl)cc12 1127518568 DVRNZKBETBZHGI-NSHDSACASA-N 291.778 4.561 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc(-c2ccccc2)s1 1131385300 XFSLKLMNUQYJMH-UHFFFAOYSA-N 299.439 4.890 30 10 CJEE C#CCCCCCCN[C@@H]1CCCc2c(F)cc(F)cc21 1182109765 SVBXMJNLBFKOHC-GOSISDBHSA-N 291.385 4.516 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(Cl)c(N(C)C)c1 1207631837 UCKYSEZPRGMLEO-CYBMUJFWSA-N 280.843 4.953 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C=C1CCC(C)CC1 1265133317 IMSIWQOKFYPMQK-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C=C[C@@H](C(=O)Nc1cc(C)c(Cl)c(C)c1)c1ccccc1 1296889678 CNUKYANVWBUNQU-MRXNPFEDSA-N 299.801 4.865 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@@H]1CCC[C@H](C)C1 1307445173 VMXLYLLHBBKARE-ICSRJNTNSA-N 285.475 4.934 30 10 CJEE C=CCCCN1CCC[C@]1(C)Cc1cccc(Cl)c1 1307896031 GDZFRBHMBQIZTO-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE C#C[C@H]1CC[C@H](NC2CCC3(CCCCC3)CC2)CC1 1308510145 KOHUKEZBZSHBHO-QAQDUYKDSA-N 273.464 4.661 30 10 CJEE C#CCC1(C(=O)Oc2cccc(C(C)(C)C)c2)CCCCC1 1352837661 KUQLIELCQQIDJY-UHFFFAOYSA-N 298.426 4.863 30 10 CJEE C=CC[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccccc1 1435400396 CTGCODGNZJBCBT-BPQIPLTHSA-N 299.458 4.677 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCCC 1437619202 IMJKWIUIBZDXBU-CVEARBPZSA-N 265.441 4.598 30 10 CJEE C=CCCCCN1c2ccccc2S[C@@H](C)[C@@H]1C 1459705437 RAAOFZYUXJKGBD-KBPBESRZSA-N 261.434 4.732 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccccc1Cl 1460153734 UTFAMLSUSQRLAG-AWEZNQCLSA-N 263.812 4.574 30 10 CJEE C=CCC[C@@H]1CCCN1CCc1ccc2ccccc2c1 1460886278 LDNHMHUTAKYJLO-HXUWFJFHSA-N 279.427 4.813 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(F)c(C(F)F)c2)C1 1462521449 WSMJRCRWJBUFTI-QWRGUYRKSA-N 269.310 4.920 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](Cc2cccnc2)C2CCCC2)C1 1462526054 FTSHYXNUADUHFQ-AHRSYUTCSA-N 298.474 4.517 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccccc2CCC)CC1 1465035577 JQYOKILLEDHBNW-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=CCCC(C)(C)CNC(=O)NCCC1=CCCCCC1 1469728065 SDEWIPOKDUGVOR-UHFFFAOYSA-N 292.467 4.559 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1516568846 ZZGWSSDPDODPPC-LSDHHAIUSA-N 279.468 4.700 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1527751129 GZHHMWOIJYCKDH-DNVCBOLYSA-N 299.458 4.906 30 10 CJEE CC#CCCCC(=O)O[C@@H](CC)c1ccc(Cl)cc1F 1528073792 HGVBXQURPCPASU-HNNXBMFYSA-N 296.769 4.667 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCCC3(CC3)C2)CCCC1 1538899921 XXRABAGVNZCUQA-INIZCTEOSA-N 289.463 4.600 30 10 CJEE C=CCC1(NCc2cnc(C(C)(C)C)s2)CCCCC1 1560472090 JJYQHPXZTUAGBP-UHFFFAOYSA-N 292.492 4.809 30 10 CJEE C=C(C)[C@H](NC1CCCCC1)c1ccc(F)c(F)c1 1560765033 XZEIVRCJHJKKQM-INIZCTEOSA-N 265.347 4.504 30 10 CJEE C#C[C@H](N[C@H](C)CC(C)(C)C)c1ccc(Cl)cc1F 1560825360 KFLGPBOHFPKSLA-ABAIWWIYSA-N 281.802 4.568 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(OC)c(Cl)c(OC)c1 1560879977 SHOJGSJLQGRPOZ-GFCCVEGCSA-N 297.826 4.904 30 10 CJEE C=CCCCC(=O)N1CCCc2c(Cl)ccc(Cl)c21 1583841674 XNGZBJSKJQQHMV-UHFFFAOYSA-N 298.213 4.629 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)c1ccc(CC)cc1 1586139750 JRXPSYVCMVVJPS-LZQZEXGQSA-N 299.458 4.604 30 10 CJEE Cc1ccc(C)c(C#Cc2ccc(OC(F)(F)F)cc2)c1 1614730617 FUIGYNDFXNLYTL-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE CCc1ccccc1C#Cc1ccc(C(F)(F)F)cc1 1614731073 OKKBXLGHCFIJOO-UHFFFAOYSA-N 274.285 4.668 30 10 CJEE CCCOc1ccc(C#Cc2ccccc2SC)cc1 1614827973 MHGIDWIPKWZPIF-UHFFFAOYSA-N 282.408 4.597 30 10 CJEE C=CCC1(C(=O)NCC[C@@H]2CCCC2(C)C)CCCCC1 1618465947 YHCHUFNQYYPGTM-INIZCTEOSA-N 291.479 4.846 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1625512363 FQDWOQNPEOMRMB-BRWVUGGUSA-N 291.479 4.702 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC1(C)C 1643802186 BUSRZIAPJWHPGU-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE C=CCCC(C)(C)NCc1ncc(-c2ccccc2)s1 1651363528 ICVGFFGIRLEWGS-UHFFFAOYSA-N 286.444 4.645 30 10 CJEE C=CCCCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 1652554795 KENDMMQPQRTGMV-RTBURBONSA-N 282.431 4.505 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 1652641696 GQLFCEPRCUSTMN-OQMKEHIESA-N 293.813 4.669 30 10 CJEE C#Cc1cccc(N(CCC2CC2)Cc2cccs2)c1 1652828537 LBOQERAMUQSTRG-UHFFFAOYSA-N 281.424 4.536 30 10 CJEE C=CCCCOc1cccc(C(C)(C)C)c1Cl 1652945252 MCYVJFSKKHDHMT-UHFFFAOYSA-N 252.785 4.983 30 10 CJEE C#CC[C@H](NC[C@H](C)CC1CCCCC1)c1ccccc1 1656939868 GDNJGWCZSMNUHL-XLIONFOSSA-N 283.459 4.947 30 10 CJEE C#Cc1ccc(NCc2c(F)cccc2CC)c(Cl)c1 1658088806 GLQFBSGTRLKERU-UHFFFAOYSA-N 287.765 4.635 30 10 CJEE C=CCC1(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CCCC1 1658096563 BWBBHYLJKHBPFS-DFBDCSAJSA-N 273.464 4.537 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCC(C)(C)C1 1658927718 YCBSEYSDVRQIPD-SFHVURJKSA-N 271.448 4.891 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCOc2ccccc21 1659177518 JQHXUQZBYCDVSP-SFHVURJKSA-N 299.458 4.621 30 10 CJEE C#Cc1ccc(NCCc2ccc(C)c(C)c2)c(Cl)c1 1660117340 OMLIVRJJDBDGCF-UHFFFAOYSA-N 283.802 4.593 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CC(C)(c2ccccc2)C1 1660254703 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C=CC[C@](C)(CC)[C@@H](NCC)C(=C)c1ccccc1 2344341280 ALCDHAYPBGVFCG-ROUUACIJSA-N 257.421 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)c(F)c(C)c1 2344347581 CPARSWCYPSPYES-IAGOWNOFSA-N 263.400 4.695 30 10 CJEE Cc1c(Cl)ccc([C@](C)(O)CC#CC(C)(C)C)c1Cl 2353223636 VEGHAGLNLRUMPT-MRXNPFEDSA-N 299.241 4.949 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@@H]1CCC[C@H]1C(C)C 2353840002 RLZJZRAQPPJRJO-ULQDDVLXSA-N 285.541 4.583 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccc(Cl)c(C#N)c1)C2 2354150708 MIESQELVOGRAPB-UNEWFSDZSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCCCN1C(=O)[C@H]2CC[C@@H]1C2 2357446625 ZAOFYEANXOYITB-DLBZAZTESA-N 279.468 4.918 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359136839 KCYJHCPCYRLJJI-ONWVLEABSA-N 275.436 4.548 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1cc(F)c(C)cc1F 2360328169 SZKLWBHJOOSFBX-BLLLJJGKSA-N 299.430 4.622 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C(C)(C)C#N)cc2)c(C)o1 36922344 HQHJIXARBZSUGE-ZDUSSCGKSA-N 282.387 4.871 30 10 CJEE 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CC(C)CCN(C1CC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 113052220 RGBNYLVUNJNRJY-JFIYKMOQSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCc1nnc([C@H](CC)NC)s1 115276413 HYFYTMIFWZPIBT-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCC[C@@]1(O)CCc2ccccc2C1 115650124 MXAXCNGLVBBUDB-GOSISDBHSA-N 260.421 4.657 30 10 CJEE CCCCCCCCCC(=O)N[C@@H](C)c1ccc(N)cc1 115854546 KFIJWTWAOAQDFX-HNNXBMFYSA-N 290.451 4.587 30 10 CJEE CCCCCCCCOC(=O)c1ccc(C)cc1F 126571789 QAGZMSQQPVSCEK-UHFFFAOYSA-N 266.356 4.651 30 10 CJEE COc1cc(Cl)c(C)cc1Nc1ccc(C#N)c(C)c1 126810044 RGXJPJMWYHYSNH-UHFFFAOYSA-N 286.762 4.581 30 10 CJEE C=CCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 129053647 DEXCVMJPOOSFGD-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C#CC[C@H](CC)N[C@H](CC(C)(C)C)c1ccccc1 129763353 PXNOKPTVLTZGHD-DLBZAZTESA-N 257.421 4.555 30 10 CJEE CC(C)(C#N)CCCn1ccc2c(Cl)cccc21 129785660 UJKPFFCDDDBKLB-UHFFFAOYSA-N 260.768 4.625 30 10 CJEE CCc1cc(CC)n([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)n1 130298321 IECIFWDLAXJLRU-JKIFEVAISA-N 287.451 4.535 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccncc1OC 134643850 HBIXRFONRBWNBI-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE C=C(C)CCC(=O)c1cccc(OCc2ccccc2)c1 140906192 QFZGFHLSYOBEQL-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CCCCCCCCCCCOC(=O)NCCC 143634248 ZQADIOVRWCVCHA-UHFFFAOYSA-N 257.418 4.653 30 10 CJEE CCCCCCCCCCCCCCN(C)CCCN 144967052 BNTMCJFCYPIZJQ-UHFFFAOYSA-N 284.532 4.968 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)cc1F 158937693 PANFQPPDQKMLTR-INIZCTEOSA-N 283.818 4.602 30 10 CJEE N#Cc1ccc(CNc2cccc(Cl)c2F)c(Cl)c1 162603946 TXPDJQZRIFCQIA-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@@H](NCCC)C1CCC(CC)CC1 164617951 WSUGEYQOHJVWIP-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE Cc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1C 216706200 IOKFXBGCSVXAOP-HJWRWDBZSA-N 288.749 4.992 30 10 CJEE CC(C)(Cl)C[C@H](C#N)C1C2CC3CC(C2)CC1C3 217001941 NTSOPOKIBZAKQN-DUTNFGBUSA-N 265.828 4.606 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCCC2)C1 222171825 HYORBXOZQGZGAX-BBWFWOEESA-N 276.468 4.607 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(Cl)cc2c1OCC2 228473607 CJXBTEZLXOKZFK-MRXNPFEDSA-N 295.854 4.896 30 10 CJEE N#Cc1ccc(Nc2cc(F)cc(Cl)c2)cc1Cl 230016459 ZXPXTHANBJEKRL-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=C(CS)CSc1ccc(Cl)c(Cl)c1 231636025 LGUPQNFNVCNCCY-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE CC(C)(C)CCOc1ccc(C#N)c2ccccc12 232501145 YHQKBZPYGHCFDF-UHFFFAOYSA-N 253.345 4.526 30 10 CJEE CCCC(CS)(CCC)CN1CCc2ccc(F)cc21 232901391 XIIOOHXVFGFNAW-UHFFFAOYSA-N 295.467 4.705 30 10 CJEE N#CC1(Cc2ccc(Cl)c(F)c2)CCCCCC1 236263613 QPWKPFXNVIRMMD-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)C[C@@H](C)CC(C)(C)C2)C1 252563729 XMOJDXZNMLLIDV-MVJTYMMSSA-N 277.452 4.674 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C#N)CC1(C)C 259030713 RHKQMTDRSKLHTD-SFHVURJKSA-N 255.405 4.792 30 10 CJEE C[C@H](c1ccc(Br)cc1)C1(C#N)CCCC1 304382768 WXWYESKYPUNKGB-LLVKDONJSA-N 278.193 4.637 30 10 CJEE C=C(C)C[C@H](NCC)c1cccc(OCc2ccccc2)c1 381783733 GJYJVZAZQRZSFE-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC(C)(C#N)c1ccc(NCc2sccc2Cl)cc1 394101274 UXQLMJSWSLBGET-UHFFFAOYSA-N 290.819 4.815 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)[C@]2(C#N)CCC[C@@H](CC)C2)C1 394612645 JQOBDLUIBKGBHJ-DFBDCSAJSA-N 277.452 4.674 30 10 CJEE CCCC[C@@H](CCC)NC[C@@H](C#N)C1CCCCC1 397317494 XHSKZHNSNCUWIU-IAGOWNOFSA-N 264.457 4.655 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(-c2ccc(F)cc2)o1 398081671 DNVCEKIPWJJTBI-CQSZACIVSA-N 287.378 4.920 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)C1CCC1)NN 398605321 COTDSRONDZRKDL-WBVHZDCISA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NN 402383556 MKWGEXHOXLMJHR-XSLAGTTESA-N 278.484 4.561 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)CC(F)(F)F 402599543 QJGKCVIQJOQORL-STQMWFEESA-N 282.394 4.548 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CO[C@H](C)[C@@H]1C 405711964 BSPUQPFZKJSPAX-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc[nH]c1C1CCC1 488563256 PEIKMZWVMVXUSK-UHFFFAOYSA-N 294.398 4.653 30 10 CJEE C=C(C)CCc1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 508602386 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CCCCCCCCCCCC[C@]1(O)CC[C@H](CN)C1 724026743 KIJTUWVACFVGPN-ROUUACIJSA-N 283.500 4.787 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2(C)CC(F)(F)C2)CC1 724607342 MJQWUJHOGCPKOG-HNNXBMFYSA-N 285.422 4.927 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H](N)C(F)F 724749295 SDQBLEAXGGOULP-OAHLLOKOSA-N 291.426 4.849 30 10 CJEE C#CC[C@@H](NCc1ccc(C(C)(C)C)s1)c1ccccc1 756997711 MIBHJCRTGSICLO-QGZVFWFLSA-N 297.467 4.900 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1132945696 BHUSLCGEWSPDAH-WNHJNPCNSA-N 297.442 4.636 30 10 CJEE C#CC[C@@H]1CCCN(C(=O)[C@](C)(CC)CCCCCC)C1 1163028210 XTRKUZVYUQJTBG-IEBWSBKVSA-N 291.479 4.635 30 10 CJEE C=CCCc1ccccc1NC1CC(OC(C)(C)C)C1 1181162646 KIZFZPWSXYESII-UHFFFAOYSA-N 273.420 4.563 30 10 CJEE C=CCCCOc1ccc(-c2ccccc2)cc1C=O 1188708573 QAPVEIZTNIXZCC-UHFFFAOYSA-N 266.340 4.511 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2cc(C3CC3)ccc2F)C1 1202560749 LZYATZLBNYMZSH-SUMWQHHRSA-N 273.395 4.538 30 10 CJEE C=CC[C@@H](CC)NC(=O)[C@@H](CC1CCCCC1)C(C)C 1270621767 AUYASPNTHLBJAQ-SJORKVTESA-N 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RKCACUNRBRQHIW-BBWFWOEESA-N 282.516 4.573 30 10 CJEE CCCCCCCC[C@](C)(O)c1ncnc2sccc12 2240613361 IKEPEWWYCQFRFA-INIZCTEOSA-N 292.448 4.649 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@@H]1CCCC[C@H]1C 2240638022 PAQDVGXLVIFISY-NUJGCVRESA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@H]1CC[C@H]1C)NC 2240652952 AMEMTOOGIRKZKY-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCCCOCC1(CS)CC(C)C1 2246835594 MQIKFVLLBBAZFO-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE C=C1C[C@H]1C[C@H](NC)c1cc(Cl)c(Cl)cc1C 2249741150 NEQDLXZPCBETMJ-HZMBPMFUSA-N 270.203 4.529 30 10 CJEE C=CCCCCCCCSCC(=O)C1(C)CC1 2250035108 SRZMEISXKQZKCQ-UHFFFAOYSA-N 254.439 4.615 30 10 CJEE C=CCCCCCCCS[C@H](C)[C@@H](C)NCC 2250064685 FOAGAMZWTBTVRD-HUUCEWRRSA-N 257.487 4.633 30 10 CJEE C=CCCSc1ccc(CN[C@H](C)CC)c(C)c1 2258980095 AYAFQWSRLCFJOV-CQSZACIVSA-N 263.450 4.551 30 10 CJEE C=C(C)CCCCNc1ccc2nc(C)sc2c1 2259233607 QHASFWWXTPWOCU-UHFFFAOYSA-N 260.406 4.763 30 10 CJEE CCCCCCC[C@H](NC)[C@]12CCCC[C@@H]1CC2 2260485284 DGJWVFFEMLLSCJ-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1sccc1Cl 2261063750 HIAHOHMTGQBNNM-CQSZACIVSA-N 281.852 4.636 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cscc1Cl 2262754451 BNPUASOMEUKSDB-CQSZACIVSA-N 289.872 4.778 30 10 CJEE CCCCCCCN1CC(F)(F)C[C@H]2CCCC[C@@H]21 2264831622 YOEOGNKFTZFNOJ-CABCVRRESA-N 273.411 4.857 30 10 CJEE CCCCCCCCCNc1ccc(OC)nc1C 2266759575 LRYKHLCDZJUXHT-UHFFFAOYSA-N 264.413 4.561 30 10 CJEE CC(C)(C)C#CC=CCC(C)(C)CCNC(C)(C)C 2268724830 DHQGGDUYKZKPIE-UHFFFAOYSA-N 263.469 4.787 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](O)(CC=CC#CC(C)(C)C)C1 2268755906 YRGCRTHPNVUZSG-MAUKXSAKSA-N 262.437 4.560 30 10 CJEE CCCC[C@@](CC)(CC=CC#CC(C)(C)C)C(=O)O 2268831502 LOROYNCOXLBVFF-KRWDZBQOSA-N 264.409 4.653 30 10 CJEE C=CCCCSC[C@H](NC)c1ccc(CCC)cc1 2271496901 BUPRUZXSZNSEKH-KRWDZBQOSA-N 277.477 4.599 30 10 CJEE C=CCCCCCCCSCc1cccc(C#N)n1 2271596598 LBZGOTOWTYBDAE-UHFFFAOYSA-N 274.433 4.713 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cccc(F)c1C 2271790234 CWLHWZFJEMOXNS-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@]1(N)CCC12CCC(F)(F)CC2 2271797824 HKIJTBPTYUAALG-HNNXBMFYSA-N 271.395 4.810 30 10 CJEE C=C(C)CCCC[C@@H]1CCCc2ccccc2[C@@H]1O 2271841734 OPMVMLWJWFOQPU-SJLPKXTDSA-N 258.405 4.809 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@]12CCC[C@H]1CC2 2273291084 JKPCQSDKGYDXOB-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)C(CC)CC 2274998889 OFIWORLIEKDSGQ-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H](C)CCC 2276469441 WXDYMRSLFPMZEG-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CC[C@@H](C)C1 2276542684 IITKMTBDNMVKKZ-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=C1CCC(C[C@@H](O)Cc2ccc(Cl)c(F)c2)CC1 2277807565 XMTWMDYQNBUDPZ-CQSZACIVSA-N 282.786 4.519 30 10 CJEE CC1(C)CCO[C@H](C[C@]2(C#N)CCCCC23CCC3)C1 2280345870 YAVVULLXMHLJJA-YJBOKZPZSA-N 275.436 4.836 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CC(F)(F)C23CCC3)C1 2280813976 QWNSTEOWTULDNE-RBSFLKMASA-N 284.390 4.988 30 10 CJEE CCCCCCCN(C)[C@@H](CN)c1csc(C2CC2)c1 2283045190 QDGLAKOYCFWEAF-INIZCTEOSA-N 294.508 4.528 30 10 CJEE CC[C@@H]1CCC[C@@](CC=CC#CC(C)(C)C)(C(=O)O)C1 2284094800 HMKFXCUBBGINQM-CRAIPNDOSA-N 276.420 4.653 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cn(C(F)F)cn1 2284780940 FSZQHWZMFNIWJS-CYBMUJFWSA-N 287.398 4.679 30 10 CJEE C=CCCCCCC[C@@H](O)CCCCCCCCCN 2284856089 LICWFNWHPHDQTM-GOSISDBHSA-N 283.500 4.953 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCCCCCCCCCO)C1 2286820943 OZHRPLASNPXPNV-MSOLQXFVSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCOC)CCCC1(C)C 2287378861 ZRZLFPMQELOONI-SFHVURJKSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H](OC(C)(C)C)C1 2287409445 UVJPGEWRJMJGJN-BBWFWOEESA-N 281.484 4.695 30 10 CJEE CC(C)CCC[C@@H](C)CCN1CCC([C@@H](C)C#N)CC1 2287886623 VGAIQLNTHXWSRX-SJORKVTESA-N 278.484 4.711 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cccc(F)c1Cl 2289882454 PMCQPMQPHBQUNK-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2ccc(F)cc2C#N)C1 2290271928 YPRDHSAUYDURMT-OAHLLOKOSA-N 274.383 4.714 30 10 CJEE C#CC[C@H](CN(C)[C@H]1CC(C)(C)CCC1(C)C)C1CC1 2290339738 XJORFXLJHYRPLL-SJORKVTESA-N 275.480 4.573 30 10 CJEE CCCCCCCCCC[C@H](OCC(=O)O)[C@H]1C[C@@H]1C 2290579147 LRVDZMWWYIHVFK-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CCC[C@@H]1CC 2291753044 KGXRIZKSJFNYCD-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](CCCC1CC1)OCCCN 2292766928 IKGCINNSHGRGCM-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@](CCC)(OCCCN)C(F)(F)F 2292893259 PRZLYHQTDVQIIB-CQSZACIVSA-N 295.389 4.590 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCC[C@@H]1C(C)C 2293268993 OFLOZXXNNHFTKK-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1ccns1 2293528784 WODCKWBZYKQUMG-HNNXBMFYSA-N 298.496 4.690 30 10 CJEE CCCCCCC[C@](C)(CCC[C@@H]1C[C@@H]1C)OCCN 2293634417 KDJRLEBFDHRELN-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C1CC1 2293723143 VZZJUXZOZRXTRC-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccccc2Cl)cc1C 2294300314 BKYRGQICSWUVFF-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE CC1(C)CCC[C@@H]([C@H](O)C#Cc2ccccc2Cl)CC1 2295219575 OJFBZLLTIYKVII-NVXWUHKLSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C(C)C)N(C)C 2295691549 NDKLWUNJLULXJK-MSOLQXFVSA-N 284.532 4.691 30 10 CJEE CCCCCCCCCCC(=O)C#Cc1cccnc1 2295792850 ZFQYQTFBNGYAQJ-UHFFFAOYSA-N 271.404 4.533 30 10 CJEE CCOc1cccc2cc(C(=O)C=Cc3cccs3)oc12 2295967877 GFUSENGNQRYTFT-UHFFFAOYSA-N 298.363 4.789 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1CNCC 2298940381 VLWAWMKSACMGPT-NSHDSACASA-N 269.841 4.506 30 10 CJEE O=CC1(CCCc2cc(Cl)cc(Cl)c2)CCC1 2302374802 LBPJEPPGICOLKS-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(C)csc1C 2304032072 FGTQBRIBDSYUDS-HUUCEWRRSA-N 251.439 4.618 30 10 CJEE C=CC[C@H](C)S[C@H](c1ccc(Cl)cc1)[C@@H](N)CC 2313524308 KAMWBRNRSPPWIP-TUKIKUTGSA-N 283.868 4.816 30 10 CJEE C=CC[C@H](C)Sc1ccc(C(F)(F)F)cc1C#N 2313702168 PKOZEJGHCSSELN-VIFPVBQESA-N 271.307 4.634 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(F)c(Cl)c1F 2321101516 KFOZOJKRPIHXPM-ZIAGYGMSSA-N 273.754 4.610 30 10 CJEE CCC[C@@H](CC)COc1cc(Cl)c(F)cc1C#N 2328096587 AQHTXABRZYXROM-SNVBAGLBSA-N 269.747 4.556 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CC[C@@H]3C[C@@H]3C2)CC1 2329774874 WRTQJMWCSOQQCN-UIBIWLFHSA-N 262.437 4.988 30 10 CJEE C[C@@H](CC(C)(C)C#N)OC[C@@H]1C[C@H]1C1CCCCC1 2332863438 DDJJCLGUTYMRMG-BPUTZDHNSA-N 263.425 4.548 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2C[C@@H]2C1 2333706713 VPNKGSZDWIAYMF-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1[C@@H]2[C@H]1CCC2(F)F 2333960435 CGCUTSISNCNLBB-APIJFGDWSA-N 273.411 4.759 30 10 CJEE C=CCC(CC=C)N[C@H]1CCSc2ccc(Cl)cc21 2335206920 OSHROQXIKZWSFA-HNNXBMFYSA-N 293.863 4.987 30 10 CJEE C=CC[C@H](C)Sc1c(F)cccc1CN[C@H](C)CC 2335228718 BVCWQWNOMYHNMV-OLZOCXBDSA-N 281.440 4.771 30 10 CJEE CCCCCCCOc1ccc(C)c(Cl)c1C(=O)O 2335423209 BXHVYWBJFLSGNJ-UHFFFAOYSA-N 284.783 4.696 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CC)C[C@H](NCCC)C1 2338658916 AEECTHZNZMIRFK-JQHSSLGASA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CC(C)(CC)C1 2338749181 HHOZESJNLTYNER-LXPRWKDFSA-N 263.469 4.949 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(F)c(C)c1Cl 2338773190 LHIYOXIWJDBOSP-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE Cc1cccc(C#N)c1OCc1cccc(Cl)c1Cl 2339304305 PZRASUKQMMDVKR-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE COc1c(Cl)cc(C[C@@]2(C#N)CC[C@H](C)C2)cc1Cl 2339972302 UJZANNXNLWAQBB-ZUZCIYMTSA-N 298.213 4.874 30 10 CJEE CCCCCCCC[C@@H](N)c1ncccc1C(C)C 2340236295 XNFDYYIJKWRPQM-MRXNPFEDSA-N 262.441 4.955 30 10 CJEE C#CCCCCC[C@H](N)c1cccc(C2CCC2)c1 2343782270 QXUNZRYXGSTPLL-SFHVURJKSA-N 255.405 4.538 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C=Cc1ccccc1)NCC 2344345367 WBGHTOQRALBPKR-ZWKOTPCHSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CCC2(CC1)CC2)NCCC 2344348254 IUDMJCXIEFXPBV-WBVHZDCISA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC2(C1)CC21CC1)NC 2344386739 YPEGSMSYNRTCTM-GARNVTTQSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)SC1(C(=O)O)C[C@@H](C)C[C@H](C)C1 2352214593 LKWHGMCMDXFLDJ-STQMWFEESA-N 282.449 4.520 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@@H](C(F)(F)F)C1 2353835246 RLSXFADWYKLPEY-YNEHKIRRSA-N 298.414 4.716 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358665622 JENWBBPDCUOWHI-JYJNAYRXSA-N 285.422 4.736 30 10 CJEE C=CCC(CC=C)N[C@H](CC(F)(F)F)c1ccccc1 2360342891 JHYBTWVVTVTOTC-OAHLLOKOSA-N 283.337 4.791 30 10 CJEE C=CC[C@H](C)Sc1c(F)cc(CNCC(C)C)cc1F 2360375768 QBUCUWSVWXVGPQ-LBPRGKRZSA-N 299.430 4.767 30 10 CJEE N#Cc1cc(N)ccc1Oc1ccccc1-c1ccccc1 20530444 XFKJCXVFGJZUGW-UHFFFAOYSA-N 286.334 4.600 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCC2 37393138 VHHSVBPQAGXUQI-LBPRGKRZSA-N 296.801 4.873 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@]1(C#N)Nc1ccccc1 37935257 MBVHFAGSBKMMFN-RDJZCZTQSA-N 256.393 4.597 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1cccc(Cl)c1Cl 37935702 CUJPVJVSPBQFIS-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE C[C@](C#N)(CCc1ccccc1)Nc1ccccc1Cl 37938266 HMNAJTYOOSDDDR-QGZVFWFLSA-N 284.790 4.667 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1c(Cl)cccc1Cl 37939005 FLDZCGRCVZJMMB-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](c1ccc(F)cc1)C1CC1 50429986 PXKRDZYGNXLUKX-SFHVURJKSA-N 280.346 4.569 30 10 CJEE Cc1cc(C)c(C[C@@H](C#N)c2cccc(N(C)C)c2)c(C)c1 57760781 WFSQPZVRPTYGHJ-SFHVURJKSA-N 292.426 4.528 30 10 CJEE CCCCCCCCOc1ccc(C2=CCNCC2)cc1 59088417 RIEMZLSCLYHHKC-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE CCCCCCCCCN1C[C@H]2CCCC[C@H]2C1 59315181 UKMNCGADSNJOJD-CALCHBBNSA-N 251.458 4.859 30 10 CJEE N#Cc1ccc(Nc2cccc3cnccc23)cc1Cl 61850919 IAMUFVXXFXOXGE-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87930411 CAUWVTDASQDKFC-WFASDCNBSA-N 292.220 4.712 30 10 CJEE CC(C)c1ccccc1OC[C@@H](CS)C(C)(C)C 94583162 GUHXCVOMAOARPW-ZDUSSCGKSA-N 266.450 4.781 30 10 CJEE Cc1ccc(SC[C@@H](CS)c2ccccc2)cc1 94588738 WJCDZRFSVWECAL-OAHLLOKOSA-N 274.454 4.801 30 10 CJEE CC(C)CCN(CC[C@H](C)CCS)C1CCCC1 94853851 RTEDRIGKEUJRAR-HNNXBMFYSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCCCCC[C@@H](N)COC 109667254 OCOQCHSZQKUKDZ-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCCCc1nc(C(C)C)n(CCCC)c1N 110055960 OVVDLBNYUHKVBO-UHFFFAOYSA-N 279.472 4.902 30 10 CJEE CC[C@H](Nc1cc(C)ccc1C#N)C1CCCCC1 110258192 QUTHPDAKCKXQET-INIZCTEOSA-N 256.393 4.638 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1Cl 110465265 MXLMDPHPZILOHM-JSGCOSHPSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCc1nnc([C@@H](C)NCCC)s1 116084251 FAGSYRALBPGMDO-CQSZACIVSA-N 297.512 4.892 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1Cc2ccccc21)NN 123812016 HAHLJHGCXADFTM-ZWKOTPCHSA-N 288.479 4.689 30 10 CJEE CCCCCCCC[C@@H](CNCCOC)C(C)(C)C 124981474 VIZLQHZIWHACHY-INIZCTEOSA-N 271.489 4.635 30 10 CJEE CCCCCCCC[C@@H](Cc1cc(C)ccc1OC)NC 133112016 TUFGUIWHADCLHC-SFHVURJKSA-N 291.479 4.885 30 10 CJEE CCCCCCCCOC[C@H](O)c1cc(C)cc(C)c1 133525027 SJCCHNXQJQMCMP-SFHVURJKSA-N 278.436 4.714 30 10 CJEE CCCCN(c1cccc(SC)c1C#N)[C@@H](C)CC 136647575 WVCWXYAUAKJDTE-ZDUSSCGKSA-N 276.449 4.685 30 10 CJEE Cc1cc(C)c(OCc2ccc(C#N)cc2Cl)c(C)c1 162986152 RXGFSMKKGJJPAU-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE C=C(C)CC[C@@H](NCCC)C(C)(C)c1ccc(F)cc1 164604316 CDXFSFVIYIPAIG-QGZVFWFLSA-N 277.427 4.828 30 10 CJEE C=C(C)CC[C@H]1CCCCC[C@H]1CNC(C)(C)C 164930208 OYOBNGDKPKHINK-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(Br)cc1C 167674460 TZFRGNPYQFDQNE-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(C)ccc1/C(C)=N\O 215967008 FDQUZVZAGHLQBC-XBNPZXQFSA-N 275.392 4.541 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)c1cc(Cl)sc1Cl 229915506 RZFPAPBOFHUHEY-IUCAKERBSA-N 276.232 4.507 30 10 CJEE CCC[C@@H](CS)COc1ccc([C@@H](C)CC)cc1 232360693 KBVCZZZGHFHBEC-UONOGXRCSA-N 266.450 4.925 30 10 CJEE CC1=C[C@H](C)C[C@H](CNc2ccc(C#N)c(Cl)c2)C1 235397343 YAHOENZDQHHZFD-AAEUAGOBSA-N 274.795 4.616 30 10 CJEE Cc1ccc2oc(C(=O)C3=CC[C@@H](C)CC3)cc2c1 235699298 UYTFKIWQPHFCDI-LLVKDONJSA-N 254.329 4.670 30 10 CJEE CCC[C@H](CS)CN(C)[C@H](C)c1ccccc1Cl 251213152 XFNUPXHMFCSHTP-OLZOCXBDSA-N 285.884 4.679 30 10 CJEE C=CCCCCC[C@H](NCC)c1cncc(Cl)c1 307952901 FKJXSWJSGPXNFH-HNNXBMFYSA-N 266.816 4.522 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(Cl)s2)c1 308104130 CWLNJABODGLUGW-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CCCCCCCC[C@@H](CCc1ccc(Cl)cc1)NN 308588190 JGAAVMMTTRKOIB-KRWDZBQOSA-N 296.886 4.855 30 10 CJEE C=C([C@@H](NCC)c1cc2sccc2s1)C(F)(F)F 311220957 UVUOKUAOACFMJM-LLVKDONJSA-N 291.363 4.732 30 10 CJEE CCCCCCCCCC[C@](O)(CC)[C@H]1CCOC1 312006165 ZFLCHXLOPSJAAA-DLBZAZTESA-N 270.457 4.695 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccsc1Cl 312579089 JINLFBVQOMIXDX-NSHDSACASA-N 283.183 4.732 30 10 CJEE C=C(CC)CN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 313502337 RYVSMTXLZWHKPT-CGTJXYLNSA-N 257.421 4.515 30 10 CJEE CC(=NO)c1cc(C)ccc1OCCCCCC(C)C 383186579 VVXHOOXUESGELV-UHFFFAOYSA-N 277.408 4.788 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)o2)C1 393532990 NBGNRNYZIVQABF-FZMZJTMJSA-N 296.208 4.695 30 10 CJEE CC(C)CCCCCC/N=C1/N[C@H](C(C)(C)C)CS1 393994867 PTNGQOPOHFYKAE-AWEZNQCLSA-N 284.513 4.700 30 10 CJEE CCCCCCCCC[C@@H](COCC1CC1)NCCC 395546285 WJZOKQOSVHTAEB-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOCCC(C)(C)CNC1CC1 395611011 JCZPAGUHTCMCEQ-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](CCC[C@H]1CCOC1)NCC 400936773 KTDYCEPMKWSTCM-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=C(CNc1ccc2c(c1)CCCC2)c1ccccc1 404544102 HEGQYCLTKHIHCA-UHFFFAOYSA-N 263.384 4.691 30 10 CJEE CC[C@@H](C)c1ccccc1OCC1(C#N)CCCC1 405136875 QXBZTBIETZOJDC-CQSZACIVSA-N 257.377 4.663 30 10 CJEE C=CCC[C@H](N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575245421 FIFGYIHLNMFGOU-NSHDSACASA-N 297.242 4.690 30 10 CJEE C=C(C)C[C@H](N)c1c2ccccc2cc2ccccc12 575245451 QXCXWRYMFZHBRC-SFHVURJKSA-N 261.368 4.959 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(SC)ccc1Cl 617361021 LBZNVCDWGBMLRL-SNVBAGLBSA-N 283.824 4.603 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1C[C@H](C)O[C@@H]1C 686460053 NSNZLUNXJNTALG-HZMVEIRTSA-N 269.473 4.658 30 10 CJEE SCCCCCCCCCN1C[C@@H]2CCCCC[C@@H]21 687979365 ODXBJZWVRYYACF-IRXDYDNUSA-N 283.525 4.911 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1sccc1Cl 692279147 GXKQRVRRDJWOHA-AAEUAGOBSA-N 269.841 4.626 30 10 CJEE 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C=C(Cl)C[C@@H](NCC)c1cc(Cl)cc(Cl)c1 710567490 MUELOVGXUFYZDM-GFCCVEGCSA-N 278.610 4.787 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 710639595 BZOKNBXAZHOYOT-HRCADAONSA-N 271.876 4.960 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(F)c1Cl 710643741 GDAUKDIOJQKVFF-LBPRGKRZSA-N 276.182 4.662 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(OC(C)C)c1 715703217 GASONMQUFPGSEA-CRAIPNDOSA-N 275.436 4.727 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C 715720508 NODSBGBABLCPSV-JKQORVJESA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccccc1C(F)(F)F 715817005 ZJPPLGASWTWNII-FZMZJTMJSA-N 271.326 4.568 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CC[C@@H](CC)C2)CC1 724590603 YKVPOXDOSMSJGC-NJAFHUGGSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](N)c2ccccc2C(F)(F)F)CC1 724604597 ALIIOFWQGKYTPZ-HNNXBMFYSA-N 283.337 4.842 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 724608078 SEFIGMKCJFDLST-ILXRZTDVSA-N 289.385 4.819 30 10 CJEE C=C1CCC(C[C@H](N)[C@H](CCC)CC(C)C)CC1 724617071 KSVXVMWVGNIPBY-SJORKVTESA-N 251.458 4.913 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CCC)[C@H]1CC1(C)C 821988836 UFGLQEDBYRZQMG-WCXIOVBPSA-N 263.469 4.926 30 10 CJEE C=C(C)[C@@H]1CC=C(C)C(=NNc2nccc3sccc23)C1 915980570 ZOBIUXMVDIRSJU-CYBMUJFWSA-N 297.427 4.997 30 10 CJEE Cc1ccc(N=Cc2ccccc2C)cc1Br 1084198652 RZBAVERXVAOFCA-UHFFFAOYSA-N 288.188 4.817 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)CCCCC1 1125930120 NTFLUYHGSWCWOY-IRXDYDNUSA-N 291.479 4.844 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21 1129235649 NQVJUAUKADSZLF-HZPDHXFCSA-N 299.458 4.694 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C/c1ccc(C)cc1 1131105066 APXJYGALQHEUJU-VVTZJZJLSA-N 297.442 4.649 30 10 CJEE C=CCC1(NCc2cnc3ccc(C)cc3c2)CCCCC1 1175372608 WRLXZNNDLWHWMK-UHFFFAOYSA-N 294.442 4.912 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCCc3ccc(C)cc32)C1 1178844966 QRWQMRNGOFYPCP-AYBZRNKSSA-N 269.432 4.707 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(Br)cc2)C1 1199483263 OAPVPLOACRXAOH-FZMZJTMJSA-N 280.209 4.606 30 10 CJEE C=CCCCCCN(C)C(=O)CC[C@@H](C)c1ccccc1 1265358002 VDQHQDDUJPTRKG-QGZVFWFLSA-N 287.447 4.775 30 10 CJEE C=CCCCCCCNC(=O)[C@H](C)c1cc2ccccc2o1 1271935361 LXTOZOGDFXSGCD-OAHLLOKOSA-N 299.414 4.789 30 10 CJEE C=CCCc1ccccc1NCc1ccc(C)c(F)c1 1308383301 WMPUMBGUCUCCGV-UHFFFAOYSA-N 269.363 4.865 30 10 CJEE C#C[C@@H](N[C@@H](C)CCc1ccccc1)c1ccc(Cl)cc1 1308797027 USDMMIOONQCJBK-HNAYVOBHSA-N 297.829 4.625 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)Cc1ccc(F)cc1Cl 1308895609 SKWSICQWNVFTHC-CYBMUJFWSA-N 297.845 4.992 30 10 CJEE C=CC[C@H](C(=O)Oc1ccc(CC)cc1)c1ccccc1 1347961931 IGPCPVSIPAKUFY-SFHVURJKSA-N 280.367 4.514 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 1351881541 ARFLGXFROQLYHI-AWEZNQCLSA-N 285.309 4.555 30 10 CJEE C=CCC1(C(=O)N(C)Cc2ccc(C(C)C)cc2)CCCC1 1353865907 MEECDWNJJYCSPA-UHFFFAOYSA-N 299.458 4.905 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 1439219263 IRQSECHJOIDKOG-UHFFFAOYSA-N 297.398 4.556 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccccc1SC 1460020403 WVQCAHSYIDOYIF-HNNXBMFYSA-N 275.461 4.643 30 10 CJEE C=CCC1(CNC(=O)c2cc3ccccc3s2)CCCC1 1460025901 DRFVYSPIEUKTDV-UHFFFAOYSA-N 299.439 4.768 30 10 CJEE CCCCCCCCCN1CC(F)(F)CC[C@H]1C 1473878967 CGCJFSQSDQWNPW-CQSZACIVSA-N 261.400 4.857 30 10 CJEE C=C1CCC(C(=O)Nc2ccccc2OC2CCCC2)CC1 1527318428 ABYXUIDATBTOQI-UHFFFAOYSA-N 299.414 4.693 30 10 CJEE C=CCC[C@H](C(=O)Nc1csc(C)c1)c1ccccc1 1530456560 VVSQRTNSGSKEQS-INIZCTEOSA-N 285.412 4.745 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CCCCCCCC 1530972207 BUBLYADHFOYPGF-DLBZAZTESA-N 279.468 4.940 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCCc3ccccc32)CCCCC1 1538905523 KSUXLWWJLHAHMP-GOSISDBHSA-N 297.442 4.707 30 10 CJEE C[C@H](SCC1(C#N)CCCC1)c1ccccc1F 1559365308 DWFNRZNOOGNLSI-LBPRGKRZSA-N 263.381 4.704 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(CF)cc2)CCCC1(C)C 1559797744 ZACFOZIBYSUKTI-KRWDZBQOSA-N 275.411 4.723 30 10 CJEE C=CCCCN(CC)CC1CCC(C(C)C)CC1 1561037213 AALJZRKOKHLSBN-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE C=CCCC(C)(C)CNC(=O)OCc1ccc(Cl)cc1 1561814667 UNKHJHSWWPBSOZ-UHFFFAOYSA-N 295.810 4.559 30 10 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30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCCC1=O 2357825033 HGVLQGQHXNDXCA-BQFCYCMXSA-N 273.420 4.636 30 10 CJEE N#Cc1c(F)cccc1N[C@@H]1CCCCc2ccccc21 36138801 KZHWMGUGHLLCTM-QGZVFWFLSA-N 280.346 4.577 30 10 CJEE CC(C)c1ccccc1Oc1ccc(C#N)cc1F 36886867 JZMYFYVDEZAWHY-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccs1 36963946 WCKVQWRNZSOULC-CYBMUJFWSA-N 276.792 4.836 30 10 CJEE Cc1ccc([C@H](Nc2cccc(F)c2C#N)C2CC2)cc1 37268839 XSISGMKDGCMGGZ-SFHVURJKSA-N 280.346 4.569 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 37305228 WVBLKQRSWQDHFU-OAGGEKHMSA-N 286.394 4.777 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)c(C)c1 37937214 YXBVGENMTNBBNM-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccccc1Cl 37938255 UVXUOPKIZUQTCN-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE Cc1ccc(Cl)c(Oc2nc3c(cc2C#N)CCCC3)c1 49957034 QGOPWCLRTIBKQE-UHFFFAOYSA-N 298.773 4.586 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2ncc3ccccc32)C1 50525840 XCCIFTRDVSBGMO-FRFSOERESA-N 281.403 4.563 30 10 CJEE Cc1cc(C)cc(OCCC[C@H](C#N)c2ccccc2)c1 57684475 DEIWMFRXDLOPEA-GOSISDBHSA-N 279.383 4.770 30 10 CJEE Cc1ccc(C)c(OCC[C@@](C)(C#N)c2ccccc2)c1C 57687685 WNEPXOJIXOBOHW-FQEVSTJZSA-N 293.410 4.862 30 10 CJEE CCOc1ccc(C[C@H](C#N)c2c(C)cc(C)cc2C)cc1 57755577 JVJDFIJCSAJIHV-GOSISDBHSA-N 293.410 4.860 30 10 CJEE N#Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 58929215 UKEDGDGINXCQRS-SOLBZPMBSA-N 290.341 4.524 30 10 CJEE C=CCSc1nc(Cl)c2cc(C(C)C)sc2n1 71715760 UJMBYZHXPXZYNJ-UHFFFAOYSA-N 284.837 4.746 30 10 CJEE CCCOc1cccc(-c2cc(CC#N)c(C3CC3)o2)c1 77083512 YDIDYUILKZODNS-UHFFFAOYSA-N 281.355 4.679 30 10 CJEE CC(C)CSCc1nc(-c2cccc(C#N)c2)cs1 87125596 ZUGAZAKIXBYAKZ-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE C[C@@H]1CC[C@@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 87994066 KQQCCAOBGBHLIW-BXUZGUMPSA-N 268.385 4.585 30 10 CJEE CCCCCCCCCCCC[C@H](O)CNCC(C)C 91464881 YBSIBPLVRLXPLP-SFHVURJKSA-N 285.516 4.904 30 10 CJEE CCCCCCCCCCCCN(C)CC1CC(O)C1 91490467 CIPRZKBWOBAQNO-UHFFFAOYSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1ccccc1C 104025956 MTPQAPVXOXVGAJ-QGZVFWFLSA-N 263.425 4.518 30 10 CJEE CCCCCCCn1cc(CNCC)c2ccccc21 107027954 SYDLYBIQFKHFHP-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCOCc1ccoc1CNCC(C)C 107345228 ODDTVATVZLYTPM-UHFFFAOYSA-N 281.440 4.512 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(C)c(OCCC)cc1C 107653888 YOWWYUVDXLLHDW-BBRMVZONSA-N 258.405 4.855 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(F)ccc1N 109895712 NHKXHBOEHMGJAD-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2F)c1 110258695 LQGLKFACQJIZOX-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C[C@H]1Cc2ccccc2N(c2cccc(Cl)c2C#N)C1 110259428 VICZSDCNZCAURC-LBPRGKRZSA-N 282.774 4.542 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@@H](CCC)CCC1=O 110325790 WUFLMIUQCDJHBE-LSDHHAIUSA-N 266.425 4.702 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@@H]1C(C)C 114056106 JYOABMQVMWRUDO-LJQANCHMSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(OC)c(F)c1 114877792 CORJPGXYKYVHEF-HNNXBMFYSA-N 268.372 4.618 30 10 CJEE CCCCCCCn1ccc([C@@H](NCC)C2CC2)c1 118248947 WBWFBBITLIEYLN-KRWDZBQOSA-N 262.441 4.519 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccccc1C 125577801 NMOFTELYBYOLGQ-KRWDZBQOSA-N 262.441 4.640 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CCCCN1 127113198 YJNIQVWBYGXZEG-KRWDZBQOSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCCNCC[C@@H]1CCCCN1C 129348805 GEPFFCBUIHZKNQ-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC(C)c1cccc(Nc2ccc(C#N)c(F)c2)c1 135236038 ZFTVVKPDJFEQCL-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CSc2ccccc21 135360390 YVKCGQYUZZBLEU-GJZGRUSLSA-N 264.434 4.597 30 10 CJEE C=C[C@@H](CC(=O)N1CCC2(CCCCC2)C1)c1ccccc1 135959444 UZIDMCPIEKCBAQ-KRWDZBQOSA-N 297.442 4.529 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cccc(SC)c2C#N)C1 136719227 HPHBXNBGIHYZAR-STQMWFEESA-N 275.417 4.628 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(N(C)C)cc1 140406835 PHAPMWUXGLLXQO-QGZVFWFLSA-N 262.441 4.503 30 10 CJEE C=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 156142998 VVXDMPFYLRVQKS-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](NN)c1csc(C)c1 157509604 OMNUSQGMIFVXRV-HNNXBMFYSA-N 268.470 4.702 30 10 CJEE C=C(C)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 161029137 DSYNBTNIALFGTQ-HNNXBMFYSA-N 251.373 4.580 30 10 CJEE CCCCCCCCCCCc1nnc(S)n1C1CC1 162738980 WUOXKQCOFKKGTE-UHFFFAOYSA-N 295.496 4.975 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C)CC[C@H]1CNCC(C)C 164933091 GEFLTGHKHADRBG-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCN2CCCC[C@@H]21 169193903 CEXSLGJOYVBVHW-QZTJIDSGSA-N 281.484 4.507 30 10 CJEE C=C(C)C[C@H]1C[C@H](CCC)CC[C@@H]1CNCCC 219488260 CNTLSVVSCYFEJL-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE Cc1cccc(C#N)c1Nc1cccc2ccccc12 220983106 HEZAPSSDQWBAHU-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CCCCCCCCC(=O)Nc1cc(Cl)c(N)cc1C 229125370 NEPPEBMKIQFVFD-UHFFFAOYSA-N 296.842 4.920 30 10 CJEE C#CCCCCN[C@@H]1CCCC[C@@H]1C1CCCCC1 229640070 OXORTYRHKJEONR-QZTJIDSGSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)c(F)cc1Cl 231295174 ZRXAJGAORKQNOK-CQSZACIVSA-N 275.770 4.979 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(OCCC)c1 233245347 GXZOHBXEFGVBDA-KRWDZBQOSA-N 261.409 4.612 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2ccc(C#N)cc2Cl)C1 235402777 NCJQUMNWRMXYFC-SMDDNHRTSA-N 274.795 4.616 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC[C@H](C)CCS 252120517 KUAHPOIRGBGFQS-ZJIFWQFVSA-N 272.498 4.810 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(C)ccc1C(C)=NO 252461360 FDQUZVZAGHLQBC-ZBFHGGJFSA-N 275.392 4.541 30 10 CJEE FC(F)Oc1ccc(N=Cc2ccc3ncccc3c2)cc1 254759378 MCZYPMJGAOJCRV-UHFFFAOYSA-N 298.292 4.587 30 10 CJEE CC(C)(C#N)Cc1csc2cccc(Br)c12 260425384 RVLVZSXSMFACHT-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCO[C@H]1CC 300608564 PAIYGFFUJUYFKD-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE N#C[C@@H]1CCC[C@H]1Sc1cc(Cl)cc(Cl)c1 304300146 AYEJPOQSMZZZCJ-QPUJVOFHSA-N 272.200 4.778 30 10 CJEE CCCCCCCCOc1cc(Cl)cc(C#N)c1 310916723 QJQAHIBVGWFHMB-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2nc3ccccc3cc2C)C1 312249023 IRDMJSFNMGKZCL-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CCCCCCCCC[C@H](NCC)c1csc(OC)n1 312542548 IINZBUKUMRNAOB-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(OC(F)(F)F)c1 313017152 XEVPOFJYXSKZIX-AWEZNQCLSA-N 288.309 4.755 30 10 CJEE CC(C)C1CCC(C=O)(Cc2cc(F)cc(F)c2)CC1 317277125 SOCGQUDFHKOMLJ-UHFFFAOYSA-N 280.358 4.539 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CC[C@@H](CC)C1 317785469 DEYLXEXIKWPLQP-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@@H](N)c1ccc(OCc2ccccc2)cc1 381895897 GFYQDQFYDFSRDG-LJQANCHMSA-N 281.399 4.622 30 10 CJEE CCCCCCCCC[C@@](C)(F)[C@H]1CCCCN1 386135878 PQAPAGTUODEJEJ-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2csc(Cl)c2)C1 393477794 IGSGXZPPUCHPJK-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CC[C@H](C)N(CC[C@H](C)CCS)Cc1ccccc1 395714214 RIYMKERXHLJYGY-HOTGVXAUSA-N 279.493 4.633 30 10 CJEE N#CCc1sc2c(Cl)cccc2c1C(F)F 396184798 CFNHCPDGYWKRPH-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H](C)C[C@@H]1CC 399658938 KOJFCDGKCGIOLO-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE Cc1scc(CNc2cc(Cl)ccc2C#N)c1C 400001636 RSNNMVLTYNXSCQ-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE SCCCCCCCCCOc1ccc2c(c1)OCC2 401955097 UAGZUKSKSOGZBD-UHFFFAOYSA-N 294.460 4.661 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc2c(c1)CCCC2 404518132 HEAJFZQHWKTVKK-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE CSc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 686951557 PGCCWSOHWJSGPU-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C[C@@H]1CCC[C@@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688340752 ZYAWONCMINZEJO-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)cc(Cl)c1 692275722 MVPQGDPKZPBLGL-DOTOQJQBSA-N 277.839 4.873 30 10 CJEE C[C@@H](NCc1cc2cscc2s1)c1cccc(C#N)c1 693926942 YJYZJZILDQLPJU-LLVKDONJSA-N 298.436 4.685 30 10 CJEE CC(C)NCc1ccc(S[C@@H](C)CC(C)(C)C#N)cc1 695776381 DEFFSYHPXJFSPM-AWEZNQCLSA-N 290.476 4.605 30 10 CJEE C#C[C@H](N[C@H](CCCCC)c1ccccc1)C(C)(C)C 702250851 MWIUVJQLUILVGT-MSOLQXFVSA-N 271.448 4.946 30 10 CJEE CCCCCCCCCCCCC1(N)CSC1 704998929 NEHWOKMNMWWAQU-UHFFFAOYSA-N 257.487 4.742 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 709129565 UIKKJRBGSMNZHP-GHMZBOCLSA-N 298.213 4.852 30 10 CJEE CC(C)(C)[C@H](/N=C1/NC2(CCCCCC2)CS1)C1CC1 713248368 PFOZQCARIKNBBN-CQSZACIVSA-N 294.508 4.597 30 10 CJEE CCCCCCCC[C@@H](CCCOC(F)(F)F)NC 713399901 AHLXBGWAOCFLNA-ZDUSSCGKSA-N 283.378 4.642 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714430546 RRDBRACXHYWJKF-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/CCCCCCC(C)C)N1 716903657 ZWLHHVMNJBREID-LSDHHAIUSA-N 284.513 4.843 30 10 CJEE C=C1CCC(CN[C@H](C)CCc2cccc(C)c2)CC1 724451557 OQTSYDHNNYPJBE-QGZVFWFLSA-N 271.448 4.652 30 10 CJEE Clc1cccc(N=C2N[C@H](C3CCCC3)CCS2)c1 725075790 ZPBDAQFFQIHGQK-AWEZNQCLSA-N 294.851 4.613 30 10 CJEE C/C(=C\c1ccc(C)cc1)C(=O)OCCCCC(C)(C)C#N 768840956 GPZBQQMZWRHXMO-DTQAZKPQSA-N 299.414 4.662 30 10 CJEE C=C1SC(Nc2ccc(F)cc2)=NC12CCCCC2 1088645158 OHJOZRVULHOAMZ-UHFFFAOYSA-N 276.380 4.557 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1125523193 DJURAAVNGYVSAP-MRXNPFEDSA-N 285.431 4.518 30 10 CJEE C=CCOc1ccc(OC(=O)[C@H](CCCC)C(C)C)cc1 1126455328 SWQXPFZTHOWBLT-QGZVFWFLSA-N 290.403 4.619 30 10 CJEE C=C[C@H](C(=O)N1CCC[C@H]1CCCCC)c1ccccc1 1137489663 ITMGWYMJPBSXPD-MSOLQXFVSA-N 285.431 4.528 30 10 CJEE C=CCCCN[C@H]1CCC[C@@H]1c1ccccc1Cl 1181409909 HAIRVNHMNDEMBS-ZBFHGGJFSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CCC2(CCC2)CC1 1206264292 WQASLCSEDYEWIP-IBGZPJMESA-N 283.459 4.876 30 10 CJEE C=CCCCCCCCNC(=O)C1(C)C(C)(C)C1(C)C 1274911690 MDTNTLACEWRERY-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=CC[C@@H]1CCN(Cc2cc(Cl)cc3ccccc23)C1 1307962591 ULUUWFSDCSBIPZ-CQSZACIVSA-N 285.818 4.891 30 10 CJEE CCCCCCCCCCN1C[C@H](OC)CC[C@@H]1C 1307997163 NQWIVAKOYGFCFG-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=CCCCCCCCNC(=O)NC1[C@@H](C)CCC[C@@H]1C 1312825190 PWCJFNHJVXRAOS-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C=CCC1(C(=O)N(CCC(C)C)CCC(C)C)CCC1 1349733831 KNNGKPRTQBIPSI-UHFFFAOYSA-N 279.468 4.654 30 10 CJEE C=CCOc1ccc(OC(=O)CCC2CCCCC2)cc1 1456884900 RCTAGBGAYDSBPF-UHFFFAOYSA-N 288.387 4.517 30 10 CJEE C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 1459710298 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30 10 CJEE C=CCC[C@H](C)C[C@H](NCCC)c1cccc(OC)c1 2158319536 DORMGOFBKXOHEF-YJBOKZPZSA-N 275.436 4.728 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(C)c(OC)c1 2158319685 FVOFNEWSQCFHDL-YJBOKZPZSA-N 275.436 4.647 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc(NC)c1 2158550707 BIPFDQDQMZFCOR-UHFFFAOYSA-N 276.424 4.808 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccccc1C(C)(C)C 2158690522 YPESUGLQDILVNU-QAPCUYQASA-N 271.448 4.991 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](P(C)(C)=O)C1 2160781543 HIXQBUUROCFQDQ-NCOADZHNSA-N 297.423 4.645 30 10 CJEE Cc1cc([C@@H](O)C2(C#N)CCCCCCC2)ccc1Cl 2163929443 RWYFEDQGUVLMEX-MRXNPFEDSA-N 291.822 4.936 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)c(OC)c1)C(C)(C)C 2164222826 MWOLTBLXQOFUFW-MRXNPFEDSA-N 295.854 4.992 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc2ncccc2s1 2164991864 HIJHOBNUWIZLDY-UKRRQHHQSA-N 286.444 4.521 30 10 CJEE CCC[C@H]1CCC[C@@H](NCC2(C#N)CCCCC2)CC1 2166303820 JHRYMSDRUPQMIC-DLBZAZTESA-N 276.468 4.799 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@]1(COC)CC=CCC1 2166520965 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CC1(C)CCC(C)(CNCC2(C#N)CCCCC2)CC1 2176593173 GUWUTIZTAXUBTR-UHFFFAOYSA-N 276.468 4.657 30 10 CJEE CCCCCCCCCOCC1CCC(F)(CN)CC1 2178636798 XXTDCRJPDYYMGZ-UHFFFAOYSA-N 287.463 4.611 30 10 CJEE C=CCCCC[C@@H](N)c1csc(-c2ccc(F)cc2)n1 2179676535 GRDHGYAXSQCHQH-CQSZACIVSA-N 290.407 4.695 30 10 CJEE C=C1CC([C@@H](C[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)NCCC)C1 2182113338 KOGGGVZVUGMMJI-DZJNRPSUSA-N 275.480 4.783 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](NCCC)CC(C)(C)C1 2183574515 OJCUPEAKCJTUDD-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@@]1(O)C=CCC[C@H]1COC 2183600741 ZILUSCGMQIAGPV-ZWKOTPCHSA-N 282.468 4.861 30 10 CJEE CCCCCCCCCC[C@@H]1CC[C@H](COC)[C@@H](N)C1 2183617292 SJNSCGWDWHEKKJ-KURKYZTESA-N 283.500 4.907 30 10 CJEE CC(F)(F)c1ccc(C(=O)C2=CCC(F)(F)CC2)cc1 2184806424 DDJDVXSFALKQFJ-UHFFFAOYSA-N 286.268 4.727 30 10 CJEE CCCCCCCC[C@]1(CNCC)CCCOC1(C)C 2187000929 NOQUYKURIKXKFI-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CSc1cccc(NC2CC(CC(C)(C)C)C2)c1C#N 2188236169 FXOOAJASPUVMDN-UHFFFAOYSA-N 288.460 4.907 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ZOABJIBDLDXJGC-LBPRGKRZSA-N 278.342 4.838 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@H](C)CCCC 2240560303 DMCQNZOVPWLSHS-MSOLQXFVSA-N 284.532 4.965 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CC[C@H](C1)O2 2240614620 SGVFAHFRJRAAIK-ZJPYXAASSA-N 281.484 4.802 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1CC[C@H](C)C1 2240639121 BJWWUNKISRDPEL-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1OCCCC1(C)C 2240665863 HSSRHDPHORQRNF-SJORKVTESA-N 283.500 4.920 30 10 CJEE N#C[C@]1(Cc2cccc3ccoc23)CCCC(F)(F)C1 2241211441 ULMQDWWEQULDSS-HNNXBMFYSA-N 275.298 4.695 30 10 CJEE C=CCCCCCCCSc1nccnc1Cl 2250015432 GBNQEMOAWQEUCH-UHFFFAOYSA-N 270.829 4.749 30 10 CJEE C=CCCSc1nc(Cl)c([C@@H](C)NCCC)s1 2250017502 YPFQWQSPXUWOPX-SECBINFHSA-N 290.885 4.525 30 10 CJEE C=CCCCS[C@H]1CCCCCCCC[C@@H]1NC 2258975591 JKNUXYWBQPYZMZ-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=CCCCCCCCSc1cnccc1C=O 2258998015 XUTSVNVPLKONNB-UHFFFAOYSA-N 263.406 4.513 30 10 CJEE C=C(C)CCCCN(C)C1CC(C)(C)C(C)(C)C1 2259241672 OELMJTBQJMBSBL-UHFFFAOYSA-N 251.458 4.879 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H](CC)CCC 2259440202 CPARJRMLVBZFRQ-DLBZAZTESA-N 251.458 4.765 30 10 CJEE CCCCCCCC[C@@H](OCCN)C(CC)CC 2262558195 HIUVSGGMXAYCIU-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1coc(C)c1 2263665798 NPVCDNUYMJPRGB-MRXNPFEDSA-N 252.398 4.936 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CC(F)(F)C12CCC2 2266162252 BJLFCNKECUDNQU-KGLIPLIRSA-N 273.411 4.760 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CCCC(C)(C)CC1 2268758437 WRQHTAJPBKQUKU-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C(C)(F)F)ccn1 2268759392 QDWMYEWKJQBCSO-CQSZACIVSA-N 271.351 4.587 30 10 CJEE C=CCCCCCCNc1cc(F)c(F)c(F)c1F 2269693181 CPVLZIDVQLDKEV-UHFFFAOYSA-N 275.289 4.791 30 10 CJEE C=CCCCCCCCCC(=O)C[C@@H](C)C(C)(C)N 2271240769 SVOJAKDFTVJVDI-OAHLLOKOSA-N 267.457 4.626 30 10 CJEE C=C(C)CCCCNc1ccc(OC(F)(F)F)cc1 2271791074 KAMBAGURWJJHQF-UHFFFAOYSA-N 273.298 4.744 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)[C@@H](CC)CCC)CC1 2272068666 NEAUWAZSNXQLKN-YZUHTNEWSA-N 265.441 4.674 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](CC#CC1CCCC1)NC 2274146929 VDADYQMAJZJSQD-ROUUACIJSA-N 263.469 4.621 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(SC)s1 2274165417 WNWSKMUVAHHIEH-AWEZNQCLSA-N 293.501 4.704 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cscc1CC 2276567710 UDZZFWPPQFOMCX-MRXNPFEDSA-N 283.481 4.687 30 10 CJEE C=CCCCCCCC[C@@](CC)(CCC)OCCN 2276705803 URRFBLIFAQWGHW-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@](CC)(OCCN)C1CCCC1 2276764398 LYSDJYLJFZPCHI-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](CCCC1(C)CC1)OCCN 2277007258 ODDCZWUQANQPMH-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCC=CO1 2278229505 MIGVKGYIPSTJMP-IRXDYDNUSA-N 267.457 4.798 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C=O)CCc2ccccc2C1 2280500180 ONKAUBHDULBSEO-AYBZRNKSSA-N 270.416 4.577 30 10 CJEE CCCCCCCC(=O)[C@@H](O)c1ccc(CCC)cc1 2283489796 ZADRCQUANWTJCY-SFHVURJKSA-N 276.420 4.602 30 10 CJEE CC(C)(C)C#CC=CCc1ccc2c(c1)COC2(C)C 2284087173 AOFGYIWLTKBRGC-UHFFFAOYSA-N 268.400 4.600 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CCCC12CCCCC2 2284183557 TWYSYOBOVSUTQT-QGZVFWFLSA-N 273.464 4.685 30 10 CJEE CCC[C@H](CC)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 2287676440 YPDDPPSPQALVNL-LSDHHAIUSA-N 279.468 4.920 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@H]21 2289846064 RFGJLSCSFAPVPU-NCXUSEDFSA-N 274.448 4.538 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)[C@H](CC)C(C)C 2291468339 UQOGJSFQULGMHT-HZPDHXFCSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)c1sccc1C 2291661228 UJCDPBCEBDZRQL-CQSZACIVSA-N 296.432 4.725 30 10 CJEE C=CCCCCC[C@@](C)(CC1CCC1)OCCC(=O)O 2292701059 JDYDKOJDPLYOIV-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCCC12CCC2 2292802631 KKRPHABKUHZZLY-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1C 2292803846 ZEECVRHBZOEOAX-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)[C@@H]1CC1(C)C 2293023032 QNYNDGUELRDNCR-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCCC(C)(C)CC1 2293138386 KBDLOINWHFOSEB-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](CC1CC(C)(F)C1)OCCN 2293623884 BOLOYYLASXTWSH-CGZBRXJRSA-N 287.463 4.609 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@H](C)C1CCC1 2293855027 IHHDUYPDUZKBTP-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@@](CC)(C[C@H](C)CC)OCCN 2294026912 NKICQQFMLPBAMT-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CN(C)C)C(C)C 2295691220 JPUQOHSXHXEFMF-QZTJIDSGSA-N 284.532 4.691 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@H]2C[C@H]2CO1 2295691354 KUZAPFHMMBFIDG-MHORFTMASA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@H](C)NCCCN1CCCC1 2295691490 MKXYYQWYGALONW-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCC(=O)CCC[C@H]1CCNC1 2296150011 BVQHCPMIZMKNAL-KRWDZBQOSA-N 281.484 4.866 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)ccc1F 2304078882 OTMNEBHNCJZUBI-AWEZNQCLSA-N 254.732 4.654 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(Br)ccc1F 2304087032 XCCUCHQEUBUSQC-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(C)ccc1Cl 2304122155 IPFNHDRIXSGERG-CABCVRRESA-N 252.785 4.674 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@@H]1F)NCCC 2310654717 PHNUSJUBDVQMAX-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE CC[C@@](C=O)(C[C@@H]1C[C@H]2CCC[C@H]1CC2)C(C)C 2316861175 PDXDPYMTJJTSOJ-QAETUUGQSA-N 250.426 4.844 30 10 CJEE CC(=NOCc1cccc2ccccc12)c1ccccc1 2330448586 IVSNRKSNBZLZHZ-UHFFFAOYSA-N 275.351 4.781 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCCC(F)(F)[C@@H]1NC 2335095943 HWXTVHIDGWRBFQ-BFHYXJOUSA-N 291.451 4.630 30 10 CJEE C=CCC(CC=C)SCC[C@@H]1CCCC[C@@H]1NCC 2335203746 OFECPLCLBZNXTN-RDJZCZTQSA-N 281.509 4.799 30 10 CJEE C=CCCCCCCCC(=O)c1snnc1C1CC1 2336014533 JANQQGVGCWNTFJ-UHFFFAOYSA-N 278.421 4.515 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc(F)c(C)c1Cl 2338550475 MDOHIWQRIGPNGL-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)[C@@H](NN)c1cc(Cl)c(Cl)cc1C 2338668689 YCFCVTZUMVCAIL-OAHLLOKOSA-N 299.245 4.575 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCCC12CC2 2338739481 WFLNXNBANMPWDC-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=C(C)CCCCNCc1ccc(F)cc1C1CC1 2338840012 IIZDPVGPXWZEIV-UHFFFAOYSA-N 261.384 4.539 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339569645 RRAACNBWWOVVCA-IUODEOHRSA-N 296.241 4.694 30 10 CJEE CC(C)c1ccc(F)cc1Nc1ccccc1C#N 2340264388 WMPPKZWWARMIKZ-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CC[C@@H]1C(F)(F)F)NCCC 2344336779 LPIAWGIORCAJHQ-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NCC 2344337545 RKYMXLHNRAKDPY-SFFUCWETSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@@H]1CCCC1(F)F)NC 2344353859 YESMDQMQYYXHDX-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CCCC(F)(F)C(F)(F)F 2344381944 DNIQYZCRYNTLLU-LLVKDONJSA-N 286.284 4.916 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1(C)CC(C(F)(F)F)C1 2344477622 VZAQNMSJIYIXQI-YIOUJQMASA-N 278.358 4.708 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1C1(C=O)CCCCCCC1 2344785552 MYTMZLIPVVOVBB-JKSUJKDBSA-N 266.425 4.510 30 10 CJEE CCCCCCCC[C@]1(F)C[C@H]2CC[C@H]1C[C@@]2(C)N 2353010091 SDHXJGURPZQESE-TWMKSMIVSA-N 269.448 4.983 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(F)cc2SC)CC1 2353819417 WPCPJSWQSXUBPG-HNNXBMFYSA-N 279.424 4.684 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(SC)c1 2353833166 AOVDGWBXSCASQL-DOMZBBRYSA-N 274.433 4.661 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@@H]1CCC[C@@H]1C(C)C 2353843380 RLZJZRAQPPJRJO-YESZJQIVSA-N 285.541 4.583 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CCC1(F)F)NN 2360440181 KRZPTFFEWHIJOH-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE C=C(C)Cn1c(CSc2ccccc2)nc2ccccc21 35143217 QKFJAGWFZJHIDK-UHFFFAOYSA-N 294.423 4.905 30 10 CJEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 36922336 OOWVDRRAKAQNEU-ZDUSSCGKSA-N 282.362 4.800 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(CC#N)cc1 37071285 SDQDAYCKMLVEBI-DLBZAZTESA-N 270.420 4.769 30 10 CJEE CCCCN(CC)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37146084 AVMBKTVIIHLNAZ-QRVBRYPASA-N 284.447 4.584 30 10 CJEE CCCC[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 37282174 VJOOXHMBGGMWGF-JTQLQIEISA-N 270.298 4.568 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1Oc1cc(C#N)ccn1 37417882 HQGRTEFEADKNCA-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(C#N)Nc1ccc(F)cc1 37935758 SOTDTRYZBXENOF-NVXWUHKLSA-N 274.383 4.736 30 10 CJEE CCc1c(C)nn([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1C 40732543 QABKCJWTFPZWFB-HLLBOEOZSA-N 287.451 4.589 30 10 CJEE CC(C)c1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1 54823633 RSZZIOGALYQNKU-NVXWUHKLSA-N 256.393 4.694 30 10 CJEE CC(C)c1oc(-c2ccc(Cl)s2)cc1C#N 77080274 QGECNJRZDQXLJS-UHFFFAOYSA-N 251.738 4.657 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccc(F)cc2F)CC1 87960111 SLRZFQPLQHLWSH-UHFFFAOYSA-N 277.358 4.863 30 10 CJEE CCC(CC)n1ccc(C[C@@]2(C#N)CC[C@@H](CC)C2)n1 87996617 VEOYTQFAJVJGAB-RHSMWYFYSA-N 273.424 4.507 30 10 CJEE CC(C)(C)[C@H](CS)CO[C@H]1CCCc2ccccc21 94583797 GCDZTNYNKONCKI-HOCLYGCPSA-N 278.461 4.673 30 10 CJEE N#Cc1ccc(OCCCCCCCCCS)cc1 97799666 KFVYBSYYVYMPTI-UHFFFAOYSA-N 277.433 4.598 30 10 CJEE CCCCCCCC[C@H](O)Cc1cc(F)cc(F)c1 109713305 BMJXCOCSKJBUNS-INIZCTEOSA-N 270.363 4.619 30 10 CJEE CCCCCCCc1nc(-c2ccccc2)n(CC)c1N 110057931 BBORDBDIWMHOPO-UHFFFAOYSA-N 285.435 4.665 30 10 CJEE CCCCCCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2N 110095598 GRYPWCHILADUMN-INIZCTEOSA-N 291.435 4.597 30 10 CJEE CCCCCN(c1ccc(C#N)c(Cl)c1)C(C)C 110256349 SCKAGNOQWBLLNL-UHFFFAOYSA-N 264.800 4.617 30 10 CJEE CCCCCCCCCCN(C)Cc1ccc(N)cc1 110368990 DJUVZEATWVPVFH-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CC(C)CCC[C@H](C)Nc1c(C#N)cnc2ccccc12 110521456 OLIZKLYKOGXKOX-AWEZNQCLSA-N 281.403 4.733 30 10 CJEE CCCCCCCCc1n[nH]c(N)c1-c1ccc(F)cc1 115858220 AWRFXXYUFZCJIM-UHFFFAOYSA-N 289.398 4.701 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CSCCS1 125168898 PMADGXCEGMRUQM-LSDHHAIUSA-N 289.554 4.564 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@@H]1CCCO1)NN 125523288 YOWHOLRQBPHCGU-MSOLQXFVSA-N 298.515 4.698 30 10 CJEE C=CCN(c1ccccc1[C@@H](CC)NCCC)C(C)C 127794362 IVFAPRXOZBRBBN-QGZVFWFLSA-N 274.452 4.538 30 10 CJEE CCCCCCCCCCNc1ccc([N+](=O)[O-])cc1N 129211454 NCYRSIZTRFQTGF-UHFFFAOYSA-N 293.411 4.730 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@H]1CCCN(CC)C1 129250217 VATBUQFIONZPRD-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1cc2c(s1)CCCC2 129314001 KYLMRUWHQIGADC-GFCCVEGCSA-N 282.412 4.672 30 10 CJEE C[C@H](NCc1ccc(C#N)s1)c1ccc(C(C)(C)C)cc1 135681351 WZDLMLKGRZSSJW-ZDUSSCGKSA-N 298.455 4.768 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1ccc(F)cn1 150223929 LNBPOSAITZQUHG-MRXNPFEDSA-N 266.404 4.535 30 10 CJEE CCCCCCC[C@H](CCc1ccsc1)NC 165412466 RNZYXRZSZTYKGI-OAHLLOKOSA-N 253.455 4.629 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1[C@@H]2CCC[C@@H]12 188066800 YTKPXIBXWPTQMU-HZPDHXFCSA-N 283.415 4.523 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](N)c2ccc(F)cc2O1 229138099 UATJVMAYKCYDIL-WBVHZDCISA-N 279.399 4.727 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@H](CS)C(C)C 232549962 ALZIRHUANKSBAI-MRXNPFEDSA-N 273.530 4.583 30 10 CJEE CCCCCCCOc1nc(Cl)nc2sccc12 232953472 CZKRLNNWCBPLEB-UHFFFAOYSA-N 284.812 4.694 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(C)(C)N(CC)CC 233163248 YQUPVDPOYUILTP-QGZVFWFLSA-N 282.516 4.612 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(F)c2ccccc12 233532744 NRXIRCQAZAQICP-SFHVURJKSA-N 271.379 4.986 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(C)ccc1OC 233607233 FWRLVQPUPNLVNB-QGZVFWFLSA-N 275.436 4.791 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cc(Cl)ccc1Cl 236061115 WMQDKZAYUOWRIC-OAHLLOKOSA-N 297.229 4.870 30 10 CJEE CCC[C@@H]1CCCN(C[C@H](CS)c2ccccc2)CC1 251255510 BLUILSYYTYBOPA-SJLPKXTDSA-N 291.504 4.602 30 10 CJEE CC(C)c1ccccc1O[C@H]1C[C@H](C)CC[C@@H]1C#N 252217748 ZPGQGZFVXHYHOP-CPUCHLNUSA-N 257.377 4.517 30 10 CJEE N#C[C@H](c1ccc(Cl)cc1)c1ccc2ccccc2n1 253614396 XNINBJCNAKEKRP-OAHLLOKOSA-N 278.742 4.544 30 10 CJEE N#CC1(Cc2ccc(Oc3ccccc3)cc2)CCC1 259048370 DPTFWLZAUIMTDA-UHFFFAOYSA-N 263.340 4.715 30 10 CJEE CC(C)n1cc([C@@H](C)C#N)c2cc(C(F)(F)F)ccc21 260083704 QNNUUTIVZCOPDD-JTQLQIEISA-N 280.293 4.868 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(F)cc1Cl 310123424 VNPXWBUMXARZNV-ZWNOBZJWSA-N 253.748 4.768 30 10 CJEE N#CC1(c2ccccc2C(F)(F)F)CCCCCC1 311466731 HOZROQJNNYYSTM-UHFFFAOYSA-N 267.294 4.821 30 10 CJEE O=CC1(C[C@@H]2CSc3ccccc32)CCCCCC1 316522343 YSHIBAITBZWDBQ-CQSZACIVSA-N 274.429 4.806 30 10 CJEE CCNC[C@@]1(CC#CC(C)(C)C)CCC[C@@H](CC)C1 317266885 NFHDSHIUJRZRRG-SJLPKXTDSA-N 263.469 4.622 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCC1CC1 356177975 ZXESAIYSTKOUMU-UHFFFAOYSA-N 271.404 4.667 30 10 CJEE C=CCC(C)(C)CNCc1c(CC)oc2ccccc12 380421949 HYPVXCJDEZXXAS-UHFFFAOYSA-N 271.404 4.687 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)C(C)(C)O 382769703 AHXGJMBIOXVPFN-KRWDZBQOSA-N 285.516 4.999 30 10 CJEE CSc1ccc(C#Cc2ccc(Cl)s2)cc1 383414806 JYFMLNBXGJUONY-UHFFFAOYSA-N 264.802 4.523 30 10 CJEE C[C@@H](CCC(C)(C)C)NCCCCC(C)(C)C#N 386254523 JFNDHHDXUAYKDL-AWEZNQCLSA-N 252.446 4.511 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C#N)C1CCCC1 397128780 OYOZXGKOVRQXKP-CZUORRHYSA-N 290.838 4.663 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CC(C)(C)Oc2ccccc21 398055620 DPHKCHPEWBINEQ-ZBFHGGJFSA-N 273.420 4.623 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cccc(Br)c1 398138924 YTCLAEDPHMEQHJ-CHWSQXEVSA-N 296.252 4.845 30 10 CJEE 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2173285845 DGUXERAYPKBRTD-ZFWWWQNUSA-N 292.492 4.665 30 10 CJEE C#CCCCC[C@@H](NCC)c1ccccc1C(C)(C)C 2173466944 RITYDZJJKOVSBO-GOSISDBHSA-N 271.448 4.828 30 10 CJEE N#CC1([C@H](O)CC2CCCCCC2)CCC2(CC2)CC1 2176621252 IZYAIPIRAWDSGF-MRXNPFEDSA-N 275.436 4.572 30 10 CJEE C=CCCCCOc1ccc(CNC(C)(C)C)c(Cl)c1 2179675961 BLDYGKGRKJOHKD-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2[C@@H]3CCC(F)(F)[C@@H]32)CC1 2181641557 NWSJCJJQSQOUHH-RQJABVFESA-N 282.374 4.619 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cncc(C)n1 2182661390 ADANNYVZOOSSIS-MRXNPFEDSA-N 277.456 4.706 30 10 CJEE CC[C@@](O)(CCC(C)C)C(=O)C1=CC[C@@H](C(C)C)CC1 2185976554 XBOLQPDZWMJVQE-CRAIPNDOSA-N 280.452 4.515 30 10 CJEE C=CCC(C)(C)O[C@H]1CC2(CCCCCC2)CC[C@H]1O 2187209486 BRRGHLVWCKOKDJ-CVEARBPZSA-N 280.452 4.612 30 10 CJEE CN(c1ccc(Cl)cc1C#N)C1CC(C2CCCC2)C1 2189995042 VSQIHFQNNIOJPS-UHFFFAOYSA-N 288.822 4.617 30 10 CJEE CN(C[C@@H](CS)C1CC1)C1CC2(CCC(C)(C)CC2)C1 2192051361 UCWUACAGOVPPLH-HNNXBMFYSA-N 295.536 4.623 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@]2(C)CCCOC2)C1 2192847292 APZSPQMFEHSXKE-KRWDZBQOSA-N 277.452 4.939 30 10 CJEE CCCC1CCC(CN[C@H]2CCCCC[C@H]2C#N)CC1 2192852365 LXWFQPUZBIDVOC-FOIPXRHGSA-N 276.468 4.655 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCC(C)(C)NC1 2193500413 YWALKLWAUDRQNQ-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCC[C@H](CC)N(C)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 2193690747 LPSYBJGBTGDHDV-VSZNYVQBSA-N 278.484 4.996 30 10 CJEE CC#CCCC[C@H](NCCC)C(C1CCC1)C1CCC1 2194068429 VGTORWFREZKDEP-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCCCN1C[C@H]2CO[C@@H](C2)C1 2195925046 ZQAXMEPTODWSGK-ROUUACIJSA-N 281.484 4.628 30 10 CJEE CC#CCCCC[C@]1(CNCC(C)C)CCC(F)(F)C1 2196171163 GRNSYOYEXDTXJI-INIZCTEOSA-N 285.422 4.621 30 10 CJEE C#CC[C@@H](C)CNc1ccccc1Oc1ccccc1 2196836262 IWOBMJNGZMLOMK-OAHLLOKOSA-N 265.356 4.550 30 10 CJEE CSc1cccc(Nc2ccccc2C2CC2)c1C#N 2197923415 MTRBNTZJYPNKQI-UHFFFAOYSA-N 280.396 4.901 30 10 CJEE CCCCCC#CC[C@]1(C(=O)O)CCCCC12CCC2 2203784312 ZTLCMRRAIFWZQH-GOSISDBHSA-N 276.420 4.776 30 10 CJEE CCCCCC#CC[C@H](NCC)c1c(C)cccc1C 2203791091 KWWXDYGXWHVBTE-SFHVURJKSA-N 271.448 4.928 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)C1CCCCC1 2203798011 IQLMIGQVNIRZDQ-YVEFUNNKSA-N 293.813 4.712 30 10 CJEE C=CCCCCCCCCCN(CC)[C@H](C)CN(C)C 2207381445 IVMWFEBMDGCVOB-GOSISDBHSA-N 282.516 4.565 30 10 CJEE C=CCCCCCCCCCN[C@@](C)(CC)CC(=O)O 2207393555 VWYNQJBJZARXSQ-KRWDZBQOSA-N 283.456 4.526 30 10 CJEE C=CCCCCCCCCNC[C@H]1CC[C@](C)(CC)O1 2207395070 BVDFMDFRAGNSCV-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@H](N)CC1CC(OC)C1 2207397529 UFHGWSGZIZDURT-ADKAHSJRSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC(=O)[C@]12CCC[C@@H]1OCC2 2207425042 MBRDYJXUNQOKLD-ZWKOTPCHSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1CCCC[C@H]1N 2207440549 YISFFUDUAUMHSD-IAGOWNOFSA-N 279.468 4.770 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCC)C1CC(C)(C)C1 2207444548 KGGNQMSJVZAPJS-SJORKVTESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)c1cccc(C)c1 2207452837 IAIGMIFXCSWSOY-SFHVURJKSA-N 276.468 4.509 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)c1csc(C)c1 2207453241 KYSRGLYTRMBIBQ-DLBZAZTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](NCCC)C1CC(C)C1 2207456914 MGHZNCZVMRSAPO-OPQOLIRYSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCCC)[C@H](C)C(C)C 2207460134 YYXQZPRNVDIFCS-SQNIBIBYSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](CN)N(C)CC1(CC)CCC1 2207462854 YYCZWCRRJLJJTF-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CN[C@@](C#N)(CSC1CCCCC1)C1CCCCCC1 2208111719 MBUYVXUVARUZPK-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cc(C)c(Br)c(C)c1 2214654746 WIHZHBYUSWRUHA-IINYFYTJSA-N 296.252 4.539 30 10 CJEE CCCCCCC[C@@H](N)c1csc(COCC)c1 2217978515 LCEWOTHHRSYYSC-OAHLLOKOSA-N 269.454 4.645 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2218342746 DXDWZRVCQUVHHP-DZKIICNBSA-N 269.860 4.714 30 10 CJEE CCCC[C@H](CC)[C@H](C#CC(C)(C)C)NCCC 2218429759 YWMZUXHSEHFGCK-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H](CCC)CC(C)C 2218437991 NDWLAUPEPFPODA-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCC[C@H](Cc1ccsc1)NC 2220080262 REKCNQMFUJMIFP-MRXNPFEDSA-N 265.466 4.795 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CCC[C@H]1C 2220083055 DVPBPFITLRJIIA-ZBFHGGJFSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1C[C@@H]1C(F)(F)F 2220092736 MJOCAZUCTAVRRT-RYUDHWBXSA-N 262.315 4.671 30 10 CJEE CCCCCCCCCCCOC[C@H](O)CCC 2223217935 IUVAKMFDKRJPFL-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE O=C(C=C1CCCC1)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225284073 KNLBPZVVMLMCQF-BTTYYORXSA-N 268.347 4.518 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(C(C)C)cc1 2226336289 DUGMWSBKPLQOQS-QAPCUYQASA-N 257.421 4.509 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2227274979 WJAZJZRNBMRLLN-XQLPTFJDSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(C)CCCCC1 2227290691 JLSWHCMFRRTVCI-MRXNPFEDSA-N 266.473 4.705 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2cc(F)cc(Cl)c2)cc1 2229680490 CLUHLRFYVZWHHJ-NSHDSACASA-N 273.738 4.634 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1c(Cl)cccc1Cl 2231554329 FECAYQYNSPDCJH-INIZCTEOSA-N 298.257 4.870 30 10 CJEE CCCCCCCC[C@@](C)(CNCC(C)C)OCC 2231857838 UFRUQRCZBKNJMR-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)c1ccncc1 2231924858 JPCLLLCRMLURTP-CVEARBPZSA-N 262.441 4.871 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H]1C(F)(F)F 2232579379 YSQBRHZZUQQPHY-RDBSUJKOSA-N 294.405 4.548 30 10 CJEE CC1=CC(=O)[C@H](C[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CC1 2233593563 LZQQPOMQKTXWIY-XQLPTFJDSA-N 282.374 4.764 30 10 CJEE CCCC#CC[C@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2233643387 WNLXUZZOADNNRV-LNLFQRSKSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](OC)C(C)(C)C 2235513154 IOQOIPHKGCWFAI-DLBZAZTESA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCC(C)(C)C[C@H]1OC 2235520248 XKRBILWDAYQGCH-SJLPKXTDSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](O)c1cccs1 2235521384 JDERAJAVVZHFEQ-WBVHZDCISA-N 295.492 4.676 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@@]2(CCCOC2)C1 2235534326 YRKJVUOYBKIFRN-ZWKOTPCHSA-N 280.452 4.615 30 10 CJEE CCCCCCCCCCCCOCCCC1CNC1 2238730329 CJXSYHSVFPBTQE-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)c1cc2c(s1)CCCC2 2239128642 XDCSHZNPCFTCOI-CQSZACIVSA-N 289.488 4.717 30 10 CJEE CCCCCCCCCO[C@@H]1[C@H](NC)C[C@H]2CCC[C@@H]12 2239447961 FCOUBRJPGNBCMJ-TVFCKZIOSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@@H](NC)C1(C)C 2239488874 DAHIDLFQTBBMQB-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C[C@@H](CCCCC)OC1(CCN[C@@H](C)CC)CCC1 2239489384 IJOFRGVQZLVDRD-IRXDYDNUSA-N 281.484 4.839 30 10 CJEE CCCCCCCC[C@]1(C)NC[C@@H](c2ccccc2)O1 2240566855 WIKZWQQEAQOFQU-ZWKOTPCHSA-N 275.436 4.814 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC[C@@H](C)C(F)F 2240640935 VTOWNGKGNIXOIF-CJNGLKHVSA-N 292.410 4.739 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@@H]1C(C)C 2240641034 WTBUXMYNWVJDHB-NUJGCVRESA-N 282.468 4.739 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2ccc3occc3c2)C1 2241179209 CEOZBIFCUFDMOO-GOSISDBHSA-N 270.372 4.761 30 10 CJEE CC1(CSc2cc(Br)ccc2C#N)CCC1 2245469626 FQBCKJDHFCQUMO-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(C)cc1Cl 2250140944 LEHOKCPGBMPLBH-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(F)cc1Cl 2250164911 YTVWSRCZAHKPKD-CQSZACIVSA-N 255.764 4.615 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1cc(C)cc(Cl)c1 2250896758 HODVYIAEYZIPCF-YPMHNXCESA-N 251.801 4.511 30 10 CJEE COC1(CSCC2(CS)CCCCC2)CCCC1 2254356720 PAHUIZPWLRZDJQ-UHFFFAOYSA-N 288.522 4.559 30 10 CJEE CCCCCC#CC[C@H](N)c1csc(C2CC2)c1 2256064036 YCLTYMOTCZWEIT-HNNXBMFYSA-N 261.434 4.599 30 10 CJEE CCCCCC[C@](C)(O)CC=CC#CC(C)(C)C 2256683117 HVXZELQIARGWNO-KRWDZBQOSA-N 250.426 4.704 30 10 CJEE C=CCCCCCCCSC[C@@H](N)C1(C)CCC1 2259069803 FMLDRQOOUKCYBF-OAHLLOKOSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CC[C@@H](CC)C1 2259172906 SMCLXBNRZRIJBB-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@H](NC)C1(C(C)(C)C)CCC1 2259196190 FZXDLVGOLODJCR-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1CC(CC(C)(C)C)C1 2261204743 XEVPVDQUFYGAGA-LMPOIIKSSA-N 251.458 4.639 30 10 CJEE C=C([C@@H](N)c1sc(C(F)(F)F)cc1C)C(C)(C)C 2263301746 BCRBRVPFRABVDH-SNVBAGLBSA-N 277.355 4.677 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1CC1(F)F 2263662093 RAQJJWSWDIHAAS-KBPBESRZSA-N 261.400 4.890 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)CCCCCCCCC 2263717176 GCUVPVZVYYUPOE-SJORKVTESA-N 251.458 4.907 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cc3cccnc3s2)CC1 2265456635 IOAPDSSTBOMJNF-LLVKDONJSA-N 271.385 4.616 30 10 CJEE N#C[C@]1(C[C@@H]2CC(F)(F)C23CCC3)C[C@H]2CC[C@H]1C2 2266264028 ZFPVBBGVGTYRJU-IGQOVBAYSA-N 265.347 4.532 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(C)cc1F 2266794584 XCUDZXLOXIXNSH-INIZCTEOSA-N 265.416 4.755 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(CN)CCCC(C)(C)C1 2268739545 RJJVRJHJDGDESZ-SFHVURJKSA-N 261.453 4.528 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(C=O)CCCC(C)(C)C1 2268791179 YHITUAOFGDJAET-SFHVURJKSA-N 260.421 4.768 30 10 CJEE C=CCCCCCOc1cc(C)c(Cl)cc1[C@@H](C)N 2270959240 HBTGHSJNJLYDSM-CYBMUJFWSA-N 281.827 4.793 30 10 CJEE C=CCCCCCCCS[C@H]1CCC2(CCC2)[C@H]1N 2271589609 HDBICDZTBWHZHE-HOTGVXAUSA-N 281.509 4.906 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1csc2ccccc12 2271786202 YOTZQNYKDTZMEC-OAHLLOKOSA-N 274.433 4.542 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(C(F)(F)F)CC1 2271837655 WHDDXVFDWXXFAQ-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ncc(CC)s1 2271842487 WWTIRLXYQGXRJS-HNNXBMFYSA-N 280.481 4.883 30 10 CJEE O=CC1(C[C@@]23CCCC[C@@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2273400170 KAZZXMQHAXVIDB-BJCAYOAGSA-N 278.461 4.590 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@]12CCCC[C@@H]1CC2 2273420736 JTKPNRYNRCOGSD-ZJPYXAASSA-N 261.453 4.681 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(C)c(F)c1F 2273926487 WPNATVVJMYTNEH-MRXNPFEDSA-N 268.347 4.601 30 10 CJEE O=C(CC#CC1CCCC1)Cc1cc(Cl)ccc1Cl 2274138290 PKRHNYROGCBPAE-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H](C)CCC 2276145232 MWBLJMNJGJQFCX-SJORKVTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)CCC)OCCN 2276476445 WYWOOGUWUYLJNZ-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](CCC(C)(F)F)OCCCN 2276874276 OLVORRZLSMKNSZ-CQSZACIVSA-N 279.415 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CJEE C=CCCCCC[C@](C)(OCC(=O)O)c1sccc1C 2292708385 DKALXXRRZDBANY-INIZCTEOSA-N 296.432 4.509 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H](C)C[C@H]1C 2293407074 FJXUSMHSHNAUAX-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1[C@H]2CCC[C@H]21 2293409409 ACWGYITZFAXFHH-MHORFTMASA-N 281.484 4.517 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CCCSC1 2293993219 AEXVUOGYWDXQCD-KRWDZBQOSA-N 299.524 4.534 30 10 CJEE CCCCCCC[C@](C)(C=C1CCCC1)OCCCN 2294222613 WRLQZZRFIIYVQJ-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2294300048 NJBJWANKJRVNPW-UHFFFAOYSA-N 264.368 4.762 30 10 CJEE C#CCCCCC[C@@](CC)(C[C@@H](C)CC)OCCCN 2294452890 NZIJPZLNPVAQCJ-ROUUACIJSA-N 281.484 4.521 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2cccc(Cl)c2n1 2294965857 AOOLMMYXKVZGIJ-OAHLLOKOSA-N 288.822 4.895 30 10 CJEE N#C[C@@]1(c2ccc3ccc(Cl)cc3n2)CCC12CCC2 2294977170 QZHBYKJZLMIBJX-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(O)C#Cc1ccccc1Cl 2295234561 MTSPLFRGKUYVIS-FUHWJXTLSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@](C)(OC1(C)CCC1)C(=O)O 2295597703 YRGCFJOTZYXSIL-QGZVFWFLSA-N 284.440 4.930 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1F 2312118120 UAGDCVBTGPHACC-BZUAXINKSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C[C@H](SC)C1 2314262385 VFSOYPCPEJWJPX-BZUAXINKSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)N(C)[C@H](C)c1cccc(Cl)c1 2316728470 GAXLJFBUQFHTTP-CYBMUJFWSA-N 263.812 4.854 30 10 CJEE C[C@H](CCSC[C@@H](CS)c1ccccc1)C(F)F 2316765763 ADSBTSSOJHLBCV-DGCLKSJQSA-N 290.444 4.725 30 10 CJEE Cc1c(Cl)ccc(N[C@H](CC#N)C(F)(F)F)c1Cl 2317785626 YJUWDVGZVOXEGJ-SECBINFHSA-N 297.107 4.558 30 10 CJEE C=C[C@@H](C)C[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2318658024 LIWLYCNBSKNKFX-ABAIWWIYSA-N 287.230 4.889 30 10 CJEE CC1(C)CC[C@H](C[C@]2(C#N)CCCC(F)(F)C2)C1 2319288611 JZKIZEAXXYBSAQ-GXTWGEPZSA-N 255.352 4.922 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1sc(Cl)cc1OC 2321142161 TVZLYLTZGDKLNL-ZWNOBZJWSA-N 287.856 4.663 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(F)c(Cl)c1F 2321217949 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C=CC[C@@](C)(CC)[C@H](N)c1ccc(CC2CC2)cc1 2344340600 SYLKXNJIIOTUOY-QZTJIDSGSA-N 257.421 4.631 30 10 CJEE C=CC1(Nc2cc(Cl)nc3ccccc23)CCCC1 2344365681 WKABFQHQPZCRLI-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@](C)(CC)CC=C 2344375661 OAHHWXDXFQRBKU-QZTJIDSGSA-N 263.469 4.931 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)c(F)cc1OC 2344477112 QSGODNBVGQXODQ-HUUCEWRRSA-N 286.774 4.514 30 10 CJEE CN(CCCCC(F)(F)F)C[C@](C)(CS)C(C)(C)C 2352318836 SRNXSNBMYDYZRY-CYBMUJFWSA-N 299.446 4.633 30 10 CJEE CSc1cc(N[C@H](C)C2(C)CCCC2)ccc1C#N 2353826475 NBRDWFAPZZMTHW-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1OC[C@@H]2CCCC[C@H]12 2358470351 BXLUHSYVFUZHLB-FJIDUMEYSA-N 282.468 4.693 30 10 CJEE Cc1ccc(F)c([C@@H](C#N)Nc2ccccc2F)c1Cl 2360547082 RDOCJPYAYVKHRM-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 36973600 POTYCKIORNHJPI-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE CC(C)[C@@H](N[C@H](CC#N)c1ccccc1)c1cccs1 55018339 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4.518 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)CC1 86881290 POGLFVSHJZUKCS-GDBMZVCRSA-N 270.420 4.868 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H](C)c1ccccc1F 94579454 YHHOOVAGLGOFJC-ZDUSSCGKSA-N 283.456 4.555 30 10 CJEE CCCCCCCC[C@H](NCC)c1ncccc1C 103940770 UXDPSEJINDMCFX-INIZCTEOSA-N 262.441 4.791 30 10 CJEE C#CC[C@H](CCC)c1ccc(C(F)(F)F)cc1OC 107476521 NYYLWGJVSFWOEK-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CCCCCCC[C@H](CSC(C)(C)C)NCC 115645030 MRRLHPPIOAXUCQ-CQSZACIVSA-N 259.503 4.857 30 10 CJEE CC1(C)CCC[C@@H](Nc2cc(C#N)ccc2Cl)C1 125671365 LDXRCQJHPKFUCD-GFCCVEGCSA-N 262.784 4.592 30 10 CJEE CC(C)CC(CC(C)C)Nc1ccc(F)cc1C#N 126223477 SONYFBBHPNRXEO-UHFFFAOYSA-N 262.372 4.570 30 10 CJEE CCCCCCCCCOc1cccc(Cl)c1C(=N)N 129241524 ZCSWSFYJVWUDNT-UHFFFAOYSA-N 296.842 4.753 30 10 CJEE CCCCC[C@](C)(C#N)Nc1ccc(Br)cc1 132724328 TYSPSHNGNLTXRE-CQSZACIVSA-N 295.224 4.724 30 10 CJEE CCCCCCC[C@@H]1CC(C)(C)CC[C@H]1C(=O)O 149584214 PDMQLYJMILDDDQ-ZIAGYGMSSA-N 254.414 4.874 30 10 CJEE C=CCCC[C@H]1C[C@H](CC)CC[C@H]1CNCCC 156060428 KIHAWMRVXKLKAI-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE Cc1ccc(C)c([C@](C)(O)C2(C#N)CCCCCCC2)c1 156794271 YFCDQSDDPHNTOJ-SFHVURJKSA-N 285.431 4.765 30 10 CJEE C=CCC[C@@H](NCc1ccc(COC)cc1)c1ccccc1 158811019 SCGJKPNIRJUREP-HXUWFJFHSA-N 295.426 4.630 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H]1CSc2ccccc21 158955667 FZLIOZGAKHGOTK-QAPCUYQASA-N 289.488 4.704 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(CC)OCC 159868743 SFUFDJJEZGUFPU-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC(=O)[C@H]1SCCS[C@H]1C 162065150 CBVZGGBZOJCXLQ-ZFWWWQNUSA-N 288.522 4.933 30 10 CJEE CCN(c1ccccc1)c1ccc(C(F)(F)F)c(C#N)c1 164397528 CZXJAQRYZRXYBG-UHFFFAOYSA-N 290.288 4.735 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)CCCOC1 203410241 DBELKJHCTXPPBY-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 214509204 LXGZGFLAVKPREG-ZBFHGGJFSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC(CC)(CC)CC2)C1 222808353 HKVQURPZOQSSOI-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)C 227926278 ZUOPXIXQUYIUOE-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(C)c(Br)c(C)c1 228389191 LKKARVZPEMNORI-CQSZACIVSA-N 296.252 4.683 30 10 CJEE Cc1cc(C)c(Nc2ccc(C#N)c(F)c2F)c(C)c1 235832484 SPEMGTHHQNIDIC-UHFFFAOYSA-N 272.298 4.505 30 10 CJEE Cc1ccc(CNc2ccc(C#N)cc2Cl)cc1Cl 235881099 CTRAJMCOVNTVRO-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=CCCCCC[C@H](O)c1cc2c(s1)CCSC2 236513133 SQLWHSHDQKJVJZ-ZDUSSCGKSA-N 282.474 4.707 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](OC(C)(C)C)C1 251234216 HWAWBXYMEWWBNR-MJBXVCDLSA-N 251.414 4.546 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C)cc2C(C)=NO)C1 252464144 HOWFIYCMSNVSFW-GJZGRUSLSA-N 275.392 4.541 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCO[C@H]1CC 300608811 PBLSJGKVEHAACH-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCNc1snc2ccccc12 310849661 CUPNXPZQYXAXGC-UHFFFAOYSA-N 260.406 4.845 30 10 CJEE C=CCC(C)(C)CNc1c([N+](=O)[O-])ccc(Cl)c1C 311711044 NURYCZVRFLHKJY-UHFFFAOYSA-N 282.771 4.571 30 10 CJEE CCCCCCCCn1ccc(CNC2CC2)c1CC 312393741 OKDKLYDZAKMNCW-UHFFFAOYSA-N 276.468 4.663 30 10 CJEE Cc1cc(C)c(C[C@]2(C=O)CCC[C@H](C)C2)c(C)c1 316615300 KFRVKTZOGGOMLI-UGSOOPFHSA-N 258.405 4.550 30 10 CJEE C=CCCC[C@]1(CNCC(C)C)CC[C@H](CC)C1 318176858 NGLVOGSIKJBBSL-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE C=C(C)CC[C@@]1(CNCCC)CCC[C@H](CC)C1 318421635 KPOGPVRCHXTLQP-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCOC[C@@H]1C 380323338 ZUKNJEZPVNEJGB-KSZLIROESA-N 283.500 4.778 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 380854487 CSBQKOCUGHGKOO-JTQLQIEISA-N 284.277 4.514 30 10 CJEE CCCN([C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N)C(C)(C)C 386915410 HZKIYFZZXAFJEF-ARFHVFGLSA-N 278.484 4.851 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1cc(Cl)ccc1Cl 387090979 AUQJYQFDHVIMJN-LBPRGKRZSA-N 286.246 4.726 30 10 CJEE CSCc1ccc(C(=O)C=C2CCCCC2)cc1 392851771 FNJUPHRLKROLJN-UHFFFAOYSA-N 260.402 4.623 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)c(F)c(F)c1F 395811551 LAXYIPZSEPAYKB-LBPRGKRZSA-N 291.332 4.993 30 10 CJEE C=CCCC[C@H](C)Nc1cc(C)c(C(F)(F)F)cc1N 398071783 MNLGDAPEUXWXPI-NSHDSACASA-N 286.341 4.753 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cc(C)c(C)cc21 398304663 LIOSIJSBSVRXEC-CYBMUJFWSA-N 274.433 4.859 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](O)C1(C#N)CCCCCCC1 401952747 MIHZCWBXVMIQGL-ZACQAIPSSA-N 277.452 4.818 30 10 CJEE CC(C)C1CCC(C#N)(CCC(F)(F)Cl)CC1 403045747 ZKNBAGQLPRPKGF-UHFFFAOYSA-N 263.759 4.954 30 10 CJEE C=CCCCN(C)C(=O)Nc1ccccc1-c1ccccc1 523010642 OAYYEBDYRZDPDW-UHFFFAOYSA-N 294.398 4.784 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC2CC2)c1F 688562016 OINNQOYARXZWKX-OAHLLOKOSA-N 279.399 4.727 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(F)c1 691139652 XOQULSDFPFEXAD-RDJZCZTQSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2cc(F)ccc21 692215305 OSAQUZFXQYPOMF-JEBQAFNWSA-N 273.395 4.538 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCC12CCCCC2 694280765 VKBGXNAMBAMRRC-INIZCTEOSA-N 288.822 4.761 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC[C@H]2C[C@@H]21 694321655 MPOZZSMANMVTCN-QAETUUGQSA-N 251.458 4.761 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(OC)ccc3C)C[C@@H](C1)C2 697305990 CWFXFCSTUCSKDO-XYPWUTKMSA-N 271.404 4.550 30 10 CJEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CC1 698980652 JXNCORBWUVUFEE-HNNXBMFYSA-N 294.439 4.639 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(Cl)c(F)c1 704039062 VXZOKOYKEUXLIQ-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE C[C@H](CC(C)(C)C#N)N1CCC[C@@H](C2CCCCC2)C1 708235793 JBMODFWNGUTBED-NVXWUHKLSA-N 276.468 4.607 30 10 CJEE C=C(C)CCOC[C@H](NCCC)c1ccc(F)cc1Cl 708934469 YUIFTUUWBPDTDX-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CCCCCCC[C@H](NCCC)c1csnc1OC 712924134 JTJUNHLAFRYCQO-AWEZNQCLSA-N 284.469 4.553 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c1C#N 714289551 GOYXAXSWXZEFTG-WOSRLPQWSA-N 286.444 4.661 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1CCC(C)(C)CC1 715768013 HFQIDUSWBGLUNZ-GOEBONIOSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)s1 715773992 NNVFJZJKLUMEBH-ZWNOBZJWSA-N 257.830 4.654 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)(C)C)CCCC[C@H]1C 715789006 OEPVAFCWRWGWMT-ZMSDIMECSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)[C@H]1CCCO1 720188369 RAIAMVDSFYXTCM-YESZJQIVSA-N 269.473 4.530 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 723627851 YRVBMAMGGOMOOT-YESZJQIVSA-N 268.404 4.638 30 10 CJEE C=C1CCC(COc2ccc(Cl)c(F)c2)CC1 724573141 IISAMXDHTDHJME-UHFFFAOYSA-N 254.732 4.604 30 10 CJEE C=C1CCC(CC2(C(=O)O)CCCCCC2)CC1 724587933 DCWQJRSKGFFXAD-UHFFFAOYSA-N 250.382 4.548 30 10 CJEE N#CCc1cc2sccc2c(OC(F)(F)F)c1Cl 725286926 SPDIXGZRNJGCKI-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C[C@@H]1CC[C@@H](NCc2cccc(-c3ccc(C#N)s3)c2)C1 742371865 HIBLDCJDICZEGF-CZUORRHYSA-N 296.439 4.565 30 10 CJEE C=CCCC[C@H](c1ccccc1)c1nc(C2CCC2)no1 904870889 JRQKWDBQDUDALV-MRXNPFEDSA-N 282.387 4.825 30 10 CJEE CCc1ccccc1N=Cc1c(C)n(C)c2ccccc12 1084110557 HXMCCCNTOIJBTM-UHFFFAOYSA-N 276.383 4.800 30 10 CJEE C=CCCCCNC(=O)CCCCc1ccc(Cl)cc1 1128377799 ZDRKRTXTCDDXHY-UHFFFAOYSA-N 293.838 4.525 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H](C)c1ccccc1 1170581786 FXTHAYVJYRDWMC-KRWDZBQOSA-N 265.400 4.826 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCO[C@H](CC(C)C)C1 1180327420 XVDBZAMFZCYYTL-RCCFBDPRSA-N 281.484 4.695 30 10 CJEE C=CCCCCCN(C)C(=O)OCc1cccc(Cl)c1 1209919071 FKSOCMKPDPOBDN-UHFFFAOYSA-N 295.810 4.655 30 10 CJEE C=CCCCCCCCCCO[C@H]1CC[C@H](NC)CC1 1217827091 GFNKIKOHYQXUAP-IYARVYRRSA-N 281.484 4.840 30 10 CJEE C#CCOc1ccccc1CNC1CCC(CC)(CC)CC1 1308271972 OLAQDAAHIOLRBT-UHFFFAOYSA-N 299.458 4.537 30 10 CJEE C=CCC1(CNCc2ccc(Cl)s2)CCCC1 1308403318 OMEHHGVTNPJHMS-UHFFFAOYSA-N 269.841 4.628 30 10 CJEE C=CCN(CCc1ccco1)C[C@H]1CCCC(C)(C)C1 1308644003 XWIWRTVVLUWAQL-INIZCTEOSA-N 275.436 4.527 30 10 CJEE C=CCC1(CNC(=O)Nc2cc(C)ccc2C)CCCC1 1310091403 BRNWGCDXJHJUMR-UHFFFAOYSA-N 286.419 4.561 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccc2ccccc2c1 1356066564 VHLOSJUEXFLICJ-FQEVSTJZSA-N 295.426 4.791 30 10 CJEE C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1358503009 LDVHZVNLQONQLA-LSDHHAIUSA-N 279.468 4.557 30 10 CJEE C=C(CC)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1459631086 FYYIWDPRPLXHST-KGLIPLIRSA-N 265.828 4.730 30 10 CJEE C=CC(C)(C)CCCNC[C@H]1CCCC[C@H]1CC 1462562102 LDMDMSQUXCFRQA-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CC)CC(CC)CC 1470788191 ZBKIJDWOTUXGBF-IRXDYDNUSA-N 294.483 4.589 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CSc2ccccc21 1474542054 QKOHODZGQVTWAG-HOTGVXAUSA-N 289.488 4.991 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cncc(Cl)c1Cl 1474622904 AJNXGROCXBLJEG-BXUZGUMPSA-N 299.245 4.613 30 10 CJEE C=CCC1(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CCCCC1 1521566368 HAAXSBSFMAFQDS-LSDHHAIUSA-N 279.468 4.700 30 10 CJEE C=CC1(CC(=O)NC2(c3ccccc3C)CC2)CCCCC1 1526442282 BKOJDCJFGGSSLH-UHFFFAOYSA-N 297.442 4.627 30 10 CJEE C#CC[C@H]1CCCN(C(=O)CCCCCCCCCC)C1 1529684762 URNGLTKQZBWJKK-SFHVURJKSA-N 291.479 4.779 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cc(C)c(Cl)c(C)c1 1530107032 NPJLBOYQAIZKFW-UHFFFAOYSA-N 277.795 4.664 30 10 CJEE C=CCC1(C(=O)Oc2cc(F)cc(Cl)c2)CCCC1 1533757701 FMQCVKRKAKUWDI-UHFFFAOYSA-N 282.742 4.521 30 10 CJEE C=CC1(CC(=O)Nc2ccc3occc3c2)CCCCC1 1535418552 GMGUMKOQGRFFNN-UHFFFAOYSA-N 283.371 4.898 30 10 CJEE C=CCC[C@H](NC(=O)c1ccccc1CC)c1ccccc1 1536283857 YNCCBRSBRPHVQZ-IBGZPJMESA-N 293.410 4.686 30 10 CJEE C=CC(C)(C)C(=O)Oc1ccc([C@@H](C)c2ccccc2)cc1 1537625526 FDDIJUVXFGMENG-HNNXBMFYSA-N 294.394 4.956 30 10 CJEE C=C[C@H](CC)CC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 1588016793 MUZMMAAZBOKHCS-AEFFLSMTSA-N 287.447 4.977 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc2occc2c1)c1ccccc1 1588226076 MIBQVAKRMBMDLG-QGZVFWFLSA-N 291.350 4.731 30 10 CJEE C=CCCCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl 1621269881 IHXUTWJKTNIOEG-NVXWUHKLSA-N 277.839 4.922 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2C)C1 1621430581 LLGWSDNKDUGQDJ-CQSZACIVSA-N 297.364 4.802 30 10 CJEE C=CCCCCNC(=O)Nc1ccccc1-c1ccccc1 1622820651 YKTTVWVCSDOQQZ-UHFFFAOYSA-N 294.398 4.831 30 10 CJEE C=CCCCCCCCCNC(=O)C1=CC[C@@H](C)CC1 1638220481 NQDPIDGGAODNDJ-MRXNPFEDSA-N 277.452 4.766 30 10 CJEE C=CCCC[C@@H](Nc1nccc(C)c1C#N)c1ccccc1 1640339889 KJNQIBOOXPRGQQ-GOSISDBHSA-N 291.398 4.771 30 10 CJEE C=C(CC)CNc1nc(-c2ccccc2)c2ccccc2n1 1642796787 DLRUTIOHDYLMCX-UHFFFAOYSA-N 289.382 4.675 30 10 CJEE C#CCN(CCCCCCC)[C@@H]1CCc2ccccc21 1644410891 OGZOYOWRYNKSAJ-LJQANCHMSA-N 269.432 4.580 30 10 CJEE C=CCC[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1 1650891307 YIHFJDINLVZIEY-OAHLLOKOSA-N 282.343 4.714 30 10 CJEE C=CCCC1(CNCc2cccc3cc[nH]c23)CCCC1 1651322864 XONBZVDZPRJPFU-UHFFFAOYSA-N 282.431 4.784 30 10 CJEE C=CCCCCCCCCNc1cnc2ccccc2n1 1651909980 VVXZBLVRRVLFSJ-UHFFFAOYSA-N 283.419 4.958 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@H](C)CC3)cc21 1653177772 HLYMNXVLBLQRJX-GOEBONIOSA-N 283.419 4.603 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccc(F)cc1 1653193621 QAMCSERHMNBMMH-OAHLLOKOSA-N 299.389 4.584 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@@H](C(C)C)C2)cc1 1657349276 KBFJRBAYFINTFF-QZTJIDSGSA-N 287.447 4.556 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1cccc(OC(F)(F)F)c1 1658852097 BWYMCKSVJFKMFP-NWDGAFQWSA-N 287.325 4.591 30 10 CJEE C=CCCCN[C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1 1659081456 MYHHQFNUHRCOHO-XJKSGUPXSA-N 297.364 4.686 30 10 CJEE C#Cc1ccc(N[C@H]2CC[C@](C)(c3ccccc3)C2)cc1 1660182587 BWBVGURKKZYMIN-PMACEKPBSA-N 275.395 4.590 30 10 CJEE C=CCC1(CN[C@@H](C)CCc2ccccc2)CCCC1 1664712237 HJFDQWFTGJZKOE-KRWDZBQOSA-N 271.448 4.734 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 1670943976 DOKXRJHBHBDQPZ-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE CCCCCCCCNC(=O)c1ccc2c(c1)CCCC2 1866089348 IVEHYOBTIGXXFR-UHFFFAOYSA-N 287.447 4.656 30 10 CJEE C=CC1(C[C@H](C[C@@H](C)P(C)(C)=O)NCCC)CCC1 1877353446 DFAKQSYAPICGEB-CABCVRRESA-N 285.412 4.502 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1CC2(CCC2)C1 1885228617 OCVRHXKGYDSHLC-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@]1(CNC(C)C)CC[C@@H](CC)C1 1885236021 IJBNBUMOPMKZFL-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H]1Cc2ccccc21 1886366225 YLBOYXFSOQNTIH-SJLPKXTDSA-N 260.421 4.828 30 10 CJEE CCCCCCCN(C)c1ccc([C@@H](C)N)cc1Cl 1887130190 UADICVKVPFYVCH-CYBMUJFWSA-N 282.859 4.766 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)C(C)(C)C1CCCCC1 1887452218 JTSWRDNLSOQDKX-WBVHZDCISA-N 263.469 4.621 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(OCc2ccccc2)cc1 1889376240 OOZJEZBMHOVFGX-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CCCCCCCCCCC(=O)[C@H](CCN)C(C)C 1914691910 YGKSBUZXZWGKEY-MRXNPFEDSA-N 269.473 4.707 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H]2CCC(C)(C)C2)C1 1916124394 XCZNDNSZRHBUQZ-NCOADZHNSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)C(CC)CC 1916906124 MZFUDYWSBXSZKZ-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE C=CCC[C@H](O)c1ccc(-c2nc3ccccc3s2)o1 1919670671 YVBMGVZPASZDAI-LBPRGKRZSA-N 285.368 4.556 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(F)c(F)c(F)c1 1919880651 DQVUHGJBLDTASJ-OAHLLOKOSA-N 274.326 4.672 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(Cl)s1 1919981498 PPEIGWYILNIXBN-ZDUSSCGKSA-N 260.830 4.970 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)C[C@@H]1C=CCCCC1 1925798247 LUIIZYRKDZBKCS-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=C1CCC(N[C@@H](C)c2ccccc2Br)CC1 1951231897 UDKKSHAHKZLUNA-LBPRGKRZSA-N 294.236 4.599 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CCCCCCCC[C@@H]1NCCc2sccc21 2026316972 QXYGXYZJEGTDPC-AWEZNQCLSA-N 251.439 4.686 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H](CCC)C(C)C)CC1 2028257346 ITADZCXCDBKQJH-DLBZAZTESA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](NC)c1cnsc1C 2033236549 PWZZMNPYKHDAMN-HNNXBMFYSA-N 268.470 4.853 30 10 CJEE C=C([C@@H](NC)c1cscc1C(F)(F)F)C(C)(C)C 2035417383 HKGVMQOKFGEYGS-LLVKDONJSA-N 277.355 4.630 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC[C@@H]2CC2(C)C)CC1 2039387430 WSFLILIDODSVRP-RHSMWYFYSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1cscc1C(F)(F)F 2039423822 HAFWOVDHCAGCPG-SKDRFNHKSA-N 273.323 4.639 30 10 CJEE C=C(C)CCCN[C@@H](CC)C1CCC(F)(F)CC1 2040678308 SMCCWORWPZUGEH-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE CC[C@H]1CCC[C@H](N(C)CCCCCCS)CC1 2041529313 GIZBKOBQPZVALD-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1 2045991307 YHLBSXAARUEIFQ-KGLIPLIRSA-N 286.202 4.747 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@H]1CCCCC(F)(F)C1 2049799485 JXLKPHZIHVJMCG-UONOGXRCSA-N 259.384 4.536 30 10 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30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(F)(F)C(C)C)CC1 2128825809 OMFFCAFXLRRYGJ-OAHLLOKOSA-N 273.411 4.782 30 10 CJEE C=CCCCCCN[C@@H]1c2ccccc2CC1(C)C 2129008385 QXEGNDHVAVDBIX-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CC[C@H]1OC 2130332564 VLXJSSYAHRCYHQ-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCC[C@@]1(CNCC)CCCOC1(C)C 2130455804 OGTOKBYTKUYLEV-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE N#CCCCCCOC[C@@H]1C[C@H]1C1CCCCCC1 2135988594 KCJNODMHLVIENZ-IRXDYDNUSA-N 263.425 4.693 30 10 CJEE C[C@H](CC(C)(C)C#N)O[C@@H]1CCC[C@@H]2CCCC[C@H]21 2136430427 MCMVMGHZWWFTRS-QKPAOTATSA-N 263.425 4.690 30 10 CJEE CC(C)C[C@@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1)C(C)C 2144874767 WUQYHWINWCNNKA-CVEARBPZSA-N 291.822 4.835 30 10 CJEE CCCCCCCCCCN=C1N[C@@H](CC2CC2)CS1 2146599089 XQBXUJYMSNKNDT-INIZCTEOSA-N 296.524 4.988 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CC1CCCC1)NC 2147596171 PKIGUQGVGSBMFC-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE C=CC=CCC[C@@H](NCCC)[C@@H](O)CCCCCCC 2148031390 YSPLLBOGXGUIAL-MSOLQXFVSA-N 281.484 4.598 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(O)CC1CCCC1 2148577688 GZLLYUOBRYLWEO-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@](C)(O)[C@@H]1CC1(C)C 2148584425 WUQIEAZZEXGIBA-SOLBZPMBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CCC[C@@H](C)C1 2148592762 VGNHXWHUSBWGDJ-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCCCCN[C@@H]1[C@@H]2CCOC[C@H]21 2150122213 ZEXPEAVFQIDANG-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H]2CCN[C@H]1C2 2151689644 APZNSVNGGBMRSM-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NC)C1CC(C)(C)C1 2153870053 YOQUIZNAWSICEO-DLBZAZTESA-N 283.500 4.512 30 10 CJEE CC[C@H]1NC(=NC2CC3(CCC(C)CC3)C2)S[C@@H]1CC 2156596545 DDXDDUYNIRHXNL-KDUKZITGSA-N 294.508 4.595 30 10 CJEE C=CCOCC[C@]1(CNC(C)C)CCCC(C)(C)CC1 2157098122 GBWHSGMZBSOZBM-SFHVURJKSA-N 281.484 4.554 30 10 CJEE CCO[C@@H]1C[C@H]([C@]2(C#N)CCCC(C)(C)CC2)C1(C)C 2157120392 MBXXVJVGTQDOBV-HDMKZQKVSA-N 277.452 4.938 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)C1(OCC)CCCCCC1 2158319653 FOHUHYAQSVYCEM-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1ccccc1CC(C)C 2158691832 NYFYFMJCYLKXOJ-HKUYNNGSSA-N 271.448 4.892 30 10 CJEE CCCCCCCCCCOC[C@@]12CCC[C@H]1CNC2 2159411944 KDUQPPIGJZZYTC-ROUUACIJSA-N 281.484 4.533 30 10 CJEE CSc1cccc(NC[C@@H]2CCC[C@H](C)CC2)c1C#N 2159518715 NPKYECYDDQLNRI-UONOGXRCSA-N 288.460 4.908 30 10 CJEE CCCCCCCCC[C@H](NC)c1ncoc1C1CC1 2160411092 QEUSTECMRKYWPT-HNNXBMFYSA-N 278.440 4.953 30 10 CJEE C[C@@H](CC1=CCCCC1)NCc1ccc(C#N)cc1Cl 2161402671 NVEUZXJONBGHKK-ZDUSSCGKSA-N 288.822 4.580 30 10 CJEE C=CCOc1ccc([C@H](NCCC)[C@@H](C)CC=C)cc1 2164187771 GUWVOOBZCQAYRM-MAUKXSAKSA-N 273.420 4.504 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ncc(CC)s2)CC1 2164269301 LRGBGWTTZYPMLD-MRXNPFEDSA-N 292.492 4.883 30 10 CJEE CCCc1ccccc1C[C@@]1(C=O)CCCC(C)(C)C1 2168512545 CINWGVUWDZFFII-IBGZPJMESA-N 272.432 4.967 30 10 CJEE CN(C[C@@H]1CCCC(C)(C)C1)c1ccc(Cl)cc1C#N 2168553451 NSJHUDXTIMKFLM-CYBMUJFWSA-N 290.838 4.864 30 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C=CCC(CC=C)Oc1ccc(C#N)c2ccccc12 2360217512 OJOHTQDWSIOLGA-UHFFFAOYSA-N 263.340 4.611 30 10 CJEE CCCCCCCCC/C=C\CCC[C@@H](OC)C(=O)O 8437639 KGJRSNOTKLROQM-YUQCYMQKSA-N 284.440 4.953 30 10 CJEE in-vitro N#Cc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1 36886878 OFUFNVKKUPZTJV-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCNc1ccc(C(=O)OC(C)C)cc1 59426960 KNJNAFPONFSDKN-UHFFFAOYSA-N 277.408 4.634 30 10 CJEE CCCCCCCCNc1cccc(Cn2cccn2)c1 59471649 HFPDYRMSYNDAPJ-UHFFFAOYSA-N 285.435 4.704 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(C)c(C)c1 59526176 PQFHMLOANGXIMQ-MRXNPFEDSA-N 276.420 4.862 30 10 CJEE CCCCCCCOCC(=O)c1ccccc1Cl 59526212 SZHVLOUVONJVCQ-UHFFFAOYSA-N 268.784 4.510 30 10 CJEE C=CCCCOc1ccc(CNC(C)(C)C)cc1Cl 71274883 RJPMIIHBVPMPTB-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE Cc1ccc(Sc2nc3ccccc3cc2C#N)cc1 71390660 TZFPLBZGACZQFC-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CC(C)(C)c1oc(-c2ccc(Cl)s2)cc1C#N 77085745 DDOFJZOATFBXSF-UHFFFAOYSA-N 265.765 4.831 30 10 CJEE SC/C=C/COc1c(Cl)cc(Cl)cc1Cl 87077883 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CCCCCCC[C@H](NCC)c1cccc(N(C)C)c1 139665622 USIZWDHAAVFSAJ-SFHVURJKSA-N 276.468 4.764 30 10 CJEE CCCCCCCCC[C@H](O)c1ncccc1CC 157416168 DMWOKAYVRNVQFU-INIZCTEOSA-N 263.425 4.818 30 10 CJEE CC(C)(C)c1ccc(NCc2cc(F)cc(C#N)c2)cc1 162882958 FZBHNDCBRWZIIS-UHFFFAOYSA-N 282.362 4.607 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1OC(F)(F)F 163632637 OQUHFPZBJUFLJP-CYBMUJFWSA-N 289.341 4.946 30 10 CJEE CC[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1C(F)(F)F 163857318 AOJIZBPCVFUKJJ-DGCLKSJQSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@@H](N)c1cncc2ccccc12 165125071 CHQQVTMZRPHSOW-QGZVFWFLSA-N 256.393 4.595 30 10 CJEE CCCCCCCCCC[S@@](=O)c1cccc(C)c1N 166114976 OXQVJUFCFYKVPG-FQEVSTJZSA-N 295.492 4.826 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C 191516114 MGIVYAAOYNJBEV-CQSZACIVSA-N 286.419 4.555 30 10 CJEE O=C(Nc1ccccc1)[C@@H]1CCCC/C1=N\c1ccccc1 196521463 BZSIQURBUKQERM-QTIQAUKSSA-N 292.382 4.588 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2cc(Cl)ccc2C)cc1C 211930736 ITPDMZPPHHNUGU-QGZVFWFLSA-N 297.785 4.755 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC 219684113 ZWRNJOQQQGISJP-ARFHVFGLSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)c2cc(C)cc(C)c2)C1 227849112 BNDPPXQJOMUCFQ-NEWSRXKRSA-N 285.431 4.621 30 10 CJEE CCCCCCC[C@@H](Cc1ccoc1)NCCC 229205622 OJMOZXQZHZUYSF-INIZCTEOSA-N 251.414 4.551 30 10 CJEE C#CCCCCN[C@@H](CC(C)(C)C)c1ccccc1 229640916 OENOWQYBYYKTND-KRWDZBQOSA-N 257.421 4.557 30 10 CJEE C=CCCCCC[C@@H](NN)C1CCC(CCC)CC1 232899677 RFYDRHMWIHMVIS-OFLPRAFFSA-N 266.473 4.561 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(SCC)cc1 233122915 UUFOGCPNIOCIEF-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(C)c(OC)c1 233544319 WNHLAVIIJLKUBC-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)sc1Cl 233563776 JITNFPCETUPQMF-VIFPVBQESA-N 264.221 4.672 30 10 CJEE CC[C@@](C#N)(CCCSc1ccc(C)cc1)NC(C)C 233983951 BXYBEEGEHHEFLJ-KRWDZBQOSA-N 290.476 4.538 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](O)C1(C#N)CCCCCCC1 235853221 LYQSBYODWWJXCB-MRXNPFEDSA-N 291.822 4.936 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@H]1[C@@H](C)CC 250836406 VCIXAQLAANLOGB-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE Cc1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1 252461872 NTGHTMGDHCZXMU-UHFFFAOYSA-N 279.261 4.644 30 10 CJEE C[C@H](Nc1cccc(C#N)n1)c1cc2cc(Cl)ccc2o1 301274936 LNWHRRDEFHROJM-JTQLQIEISA-N 297.745 4.526 30 10 CJEE N#CC[C@H]1CCC[C@H](c2ccc(Cl)c(Cl)c2)O1 310386611 COURITYAWITLFZ-ZWNOBZJWSA-N 270.159 4.517 30 10 CJEE O=CC1(Cc2cccc3ccccc23)CCCCC1 317612705 TYHWASCAMPUWRB-UHFFFAOYSA-N 252.357 4.532 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2CC(C)(C)OC2(C)C)C1 381713545 GPNBBDUUBMZFIC-CPUCHLNUSA-N 263.425 4.690 30 10 CJEE C[C@@H](C1CCCCC1)[C@H](C#N)Nc1ccccc1Cl 381889300 PVFKXAAGZGJDME-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)CCCO 384392864 RTDGCHQYSHIRDI-GOSISDBHSA-N 285.516 4.906 30 10 CJEE CCCCCCCCN[C@@H](C)COCc1ccccc1 390603902 ZSRPXCUULXVBRN-KRWDZBQOSA-N 277.452 4.542 30 10 CJEE N#CCc1cc2c(C(F)F)c(Cl)ccc2s1 396187447 IHLWVSSGTLLPQE-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=C(C)CC[C@@H](NCC)c1csc2c1CCCC2 399807773 KQPBHFPJRXMPGI-OAHLLOKOSA-N 263.450 4.634 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@@](C)(O)c1c(Cl)cccc1Cl 400827103 VCMRDPNCRFKFGF-ONERCXAPSA-N 298.213 4.531 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)NC(=O)OC(C)(C)C 405711143 ISEMXOKMRFTQQE-AWEZNQCLSA-N 299.455 4.609 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc2ccsc12 666426094 IXBQFFHPQFEXNB-OKILXGFUSA-N 298.411 4.616 30 10 CJEE COC1CCC(C2(C=O)CCC(C(C)(C)C)CC2)CC1 686370765 XNKVQNXJYBMBTA-UHFFFAOYSA-N 280.452 4.613 30 10 CJEE C#CCCCCCC1(CNC2CC2)CCC(C)CC1 686694425 ARJKDJVKCDQKAZ-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 686697637 NMQUTNQEPMSJHT-CQSZACIVSA-N 270.203 4.577 30 10 CJEE C#CCCCCC[C@@]1(CNCC(C)C)CCC[C@@H]1C 686703197 XDKNSQXDCNXXRC-ROUUACIJSA-N 263.469 4.622 30 10 CJEE CCCCCCCCC[C@@H](N)c1cncc(OC)c1C 687650612 DTRRDXALIXYWPA-MRXNPFEDSA-N 278.440 4.539 30 10 CJEE CCSc1cccc(NCCCCC(C)(C)C#N)c1 690147481 CIDMCNQDTNWXOC-UHFFFAOYSA-N 276.449 4.931 30 10 CJEE 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281.484 4.696 30 10 CJEE Cc1cc([C@@]2(C#N)CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl 2236878593 BYMKIMJDKVNGNF-IAQYHMDHSA-N 292.766 4.528 30 10 CJEE CCCCCC#CCNCCCCCCOC(C)(C)C 2237074695 BXLMMIBKCMESKT-UHFFFAOYSA-N 281.484 4.535 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 2238153417 ANQOECWVDIKLTG-OLZOCXBDSA-N 291.826 4.623 30 10 CJEE C=C[C@@H](CCCCC)O[C@@]1(C(=O)O)CCCCC1(C)C 2239496175 XLUXYJCAOKAAAV-WMLDXEAASA-N 282.424 4.562 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccc(CNC2CC2)s1 2239498199 DDOKTEGLKBIEAK-HNNXBMFYSA-N 293.476 4.652 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NCC)[C@H]1CCC1(C)C 2239498300 JFSAJIFJHZETBN-ZACQAIPSSA-N 281.484 4.552 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)C[C@@H](C)C(C)C 2240575505 VDDHNNVXJHPZEE-QZTJIDSGSA-N 284.532 4.678 30 10 CJEE CCCCCCCC[C@@H](C)NCc1coc(C2CC2)n1 2240650770 TYQJGTQOGDKBHD-CQSZACIVSA-N 278.440 4.781 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1OC[C@H]2CCC[C@@H]21 2240667587 XYORJFDSKLCQBX-MHORFTMASA-N 281.484 4.530 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2coc3ccccc23)C1 2241193651 FIBHMRPBRRWFSW-KDOFPFPSSA-N 270.372 4.761 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H](CC(C)(C)C)OC 2241927728 IFUPAYLMNALADZ-GOSISDBHSA-N 289.463 4.516 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccccc1Br 2244625121 CYNCYPKVZWSSSL-CQSZACIVSA-N 282.225 4.585 30 10 CJEE Fc1ccc(OCCCCCCCS)c(Cl)c1 2252621677 WGGINOOLYCDGCS-UHFFFAOYSA-N 276.804 4.738 30 10 CJEE Cc1cccc(Cl)c1NCC=CC#CC(C)(C)C 2256776888 XVFIYFQLRDOLBZ-UHFFFAOYSA-N 261.796 4.666 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)Cc1ccc(Cl)cc1 2259240938 HCSHGQAARPWXOZ-GOSISDBHSA-N 285.840 4.633 30 10 CJEE C=CCCCCC[C@H](OCCN)c1csc(Cl)c1 2262407268 VPPXJLLMJDDBEC-ZDUSSCGKSA-N 287.856 4.554 30 10 CJEE C=C(C)[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2263311986 XFONRODMQVZQTH-NSHDSACASA-N 277.355 4.692 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC(C)(C)CCO1 2265546716 PIXFODMGSKELSE-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C[C@@H]1C[C@H]1CCCCC1(C#N)Cc2ccccc2C1 2265744998 NKBBXGCHBWXJPM-HUUCEWRRSA-N 253.389 4.512 30 10 CJEE CCc1ccc(C#N)c(SCC2(C(F)(F)F)CC2)c1 2266498617 OWGLPHFMTITTJC-UHFFFAOYSA-N 285.334 4.555 30 10 CJEE COc1ccc(Cl)c(C[C@]2(C#N)CCCC[C@@H]2C)c1 2269186380 UCCCFIBKXATUOM-LRDDRELGSA-N 277.795 4.611 30 10 CJEE C[C@H]1C[C@H]1CCCCCNc1ccc(C#N)cc1Cl 2269486122 RJZKIZYSAYWPOI-GXTWGEPZSA-N 276.811 4.840 30 10 CJEE C=CCCCCCCCSC[C@H]1CC2(CCC2)CN1 2271591783 SZAJXCMZUMCFRB-MRXNPFEDSA-N 281.509 4.778 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCCCC12CCC2 2271849410 KOXDYFKHHXWOFV-QGZVFWFLSA-N 264.409 4.938 30 10 CJEE CC1([C@@H](N)C#CC2CCCCC2)CCCCCCC1 2273991727 FJGAUQYVRHGZFU-KRWDZBQOSA-N 261.453 4.648 30 10 CJEE CCCCCCC[C@](C)(CC1CC(C)C1)OCCN 2276319622 KTGFHINXRWXTKE-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC(C)(C)CO 2278243105 LVBKSJCNJDNETC-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE C[C@H]1CCC[C@@H](CCC2(C=O)Cc3ccccc3C2)C1 2279892046 CENZGDZCCCOJGT-HOTGVXAUSA-N 270.416 4.577 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC=CCC1 2284101402 RNELYWLETPRZGN-ZWKOTPCHSA-N 273.464 4.707 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cc2c(s1)CCCC2 2284180516 UXNUZGLDATVXCN-OAHLLOKOSA-N 288.456 4.656 30 10 CJEE C=CCCCCCCCSc1ccc([N+](=O)[O-])cc1N 2287181564 JTKYKVZOHRRBTH-UHFFFAOYSA-N 294.420 4.796 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(OC)CCC(C)CC1 2287414913 ROHXCVJQJRPHAF-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE CCCN[C@H](C#Cc1ccc(Cl)cc1)[C@@H](CC)CCC 2287643383 ITCKHSYBSNBETE-FUHWJXTLSA-N 291.866 4.886 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1C[C@H]1C)OCC(=O)O 2292566148 SNFDTABISLETSS-OWCLPIDISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CCC[C@H]1C)OCCN 2292998971 BWGZIKHWFXFFJU-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@H](C)C1CCCCC1 2293668096 VWOZUZNBZBVKDR-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE CCC1=CC[C@H](Cc2c(C)c(C)c(C)c(C)c2C)C1=O 2294729967 SUBVXXBASONFKW-QGZVFWFLSA-N 270.416 4.697 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(O)C#Cc1ccccc1Cl 2295236481 GMKRJHMQFCILOB-WMZOPIPTSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NCC)[C@@H](C)CC 2295678520 IFKLFPZJXMNFHI-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCCC[C@H]1O 2295678948 LEMRGIUOKQCWPQ-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE Cc1cccc(C=C2CC[C@@H](C3CCCC3)C2=O)c1 2297333952 LVQOJXPPHKBCIH-KRWDZBQOSA-N 254.373 4.548 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)ccc1F 2304133023 UFBVTBXBYILOJS-KGLIPLIRSA-N 256.748 4.505 30 10 CJEE Cc1cc(Cl)c(C(=O)C2=CCCCC2)c(Cl)c1 2307638708 NJEPRYNGQJQCEI-UHFFFAOYSA-N 269.171 4.985 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2C[C@H]12 2308621973 KTCNCXZJSCQUAK-LTIDMASMSA-N 251.458 4.891 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1C[C@@H](SC)C1 2314299622 AYWPNNOWNZMYFV-OWCLPIDISA-N 269.498 4.762 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@](C)(CC)C(F)F 2315006349 VJMMMVVDXGCBNR-DZGCQCFKSA-N 261.400 4.782 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(F)c(C)c1Cl 2316592661 QFEIZAOBFIZFNB-CQSZACIVSA-N 269.791 4.794 30 10 CJEE C=CCC(CC=C)[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2316729930 OQZQSLZOHGWVLO-HNNXBMFYSA-N 285.214 4.665 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(C(C)C)c1 2320524489 ZHYYJAVIEIWYFE-MRXNPFEDSA-N 265.828 4.993 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@]1(C)CCCCC1(F)F 2321232994 NATCJFKEGIZKET-JSGCOSHPSA-N 260.368 4.555 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1C[C@@H](C(F)(F)F)C1 2327692350 NTOZCCYFYLAOLV-FRRDWIJNSA-N 265.363 4.653 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@@H]1CCC[C@H]1C(F)F)NCCC 2334488994 NGVQEBWTAYPGBY-LXTVHRRPSA-N 273.411 4.638 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 2335096694 PREDTTNTNFIRGL-REWJHTLYSA-N 284.465 4.600 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1C[C@@H](C)c2ccccc21 2337064664 WHNSWBXQZIEUAJ-NONVJHHQSA-N 255.405 4.569 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(F)cc1Cl 2337093167 BHPUCWXFWBAONA-OZVIIMIRSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1 2337105029 TVQSPYNWZBQUPS-BZUAXINKSA-N 261.453 4.680 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1CCCC2(CC2)C1 2338734259 YEGGCGPZEMQGAO-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CC[C@H](CC)C1 2338735835 ORZGAXCYRXNXGK-JQHSSLGASA-N 263.469 4.949 30 10 CJEE CC#CCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341125064 RALDNOUUXGJFFM-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C=CC[C@H](C[C@H](c1ccccc1)C1CCCC1)NC 2342479323 GAILYLJWXUKZIH-QZTJIDSGSA-N 257.421 4.515 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NCC 2344347441 BNQYCTBMKCRXQH-HZMVEIRTSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cccc(C)c1C 2344373288 ZCJXNCGKZCEVNS-QGZVFWFLSA-N 259.437 4.946 30 10 CJEE CC(C)C1CCC(C#N)(C2CC3(CC(F)C3)C2)CC1 2344897337 DLLAUNQJTNBTSY-UHFFFAOYSA-N 263.400 4.871 30 10 CJEE CCCCCCCCCCCOC[C@H](O)[C@H]1C[C@H]1C 2353363711 FTCBRWBGLUXZJF-IKGGRYGDSA-N 270.457 4.551 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(SC)c2)[C@@H]1C 2353834130 LDHRCHDLPJLAJG-JMSVASOKSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H]1C[C@@H]2CC[C@H]1O2 2354998894 BFXUMEMZQRYGBA-XWTMOSNGSA-N 282.468 4.836 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1CC)OCCN 2360098362 KCGWUFYDPMMGAD-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 6341523 TXVQMILNWHZCMT-VAWYXSNFSA-N 276.335 4.891 30 10 CJEE O=C(/C=C\S/C=C\C(=O)c1ccccc1)c1ccccc1 33384990 NSBJBEHHGKXENY-XSYHWHKQSA-N 294.375 4.513 30 10 CJEE N#Cc1cc(N[C@@H]2CCCc3sccc32)ccc1Cl 61326507 ABZGNJRDHQDYTE-CQSZACIVSA-N 288.803 4.763 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCCC(C)(C)C2)C1 70259021 LKNYRMGEXXNTHP-BRWVUGGUSA-N 290.495 4.853 30 10 CJEE CC[C@@H]1CCCC[C@@]1(C#N)Nc1cccc(Cl)c1 71162365 WDABPKPTVKOEEO-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE CCCCN(c1nc2ccccc2cc1C#N)[C@@H](C)CC 71389925 YZYXGLVJGHCDBB-AWEZNQCLSA-N 281.403 4.511 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cc(F)cc(F)c1 94826600 AGUDXCRKDNIFCF-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC(C)CCN(CC1(C=O)CCC(C)CC1)C1CCCC1 94851920 NPJCNBWYHAPSFN-UHFFFAOYSA-N 293.495 4.673 30 10 CJEE C=C(CC)COc1ccc(Cl)cc1[C@H](C)NCCC 97191367 XEJWFNRUBFEPQV-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(C)c(C)cc1Br 107479889 MGHSBILJYHIUPP-ZWNOBZJWSA-N 279.221 4.829 30 10 CJEE CC#C[C@@H](C)Cc1ccc(Oc2ccccc2)cc1 107634130 SBMIOGLXPYPVLE-OAHLLOKOSA-N 250.341 4.681 30 10 CJEE CCCCCCCCCCCC(=O)NC1CCCC1 109015353 APTFAWKMIWVYAD-UHFFFAOYSA-N 267.457 4.966 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2ccccc2n1 109204857 CUFARYHJNYIKMJ-MRXNPFEDSA-N 270.420 4.985 30 10 CJEE CCC[C@@H](Nc1cc(C#N)ccc1C)c1ccccc1 109945481 BHOXFVNIUJPFKF-QGZVFWFLSA-N 264.372 4.820 30 10 CJEE CCCCCCCO[C@@H](CC)[C@H](NC)c1ccccc1 110081527 DJRYUTDGTDGYKB-ZWKOTPCHSA-N 277.452 4.713 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@@H](C)CN 110106380 OTGMNPBKJJBDCZ-SFHVURJKSA-N 284.532 4.824 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc(C(F)(F)F)c1 110251520 NBEBAFPIXIIHNG-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCc1cccc(Nc2ccc(C#N)cc2Cl)c1 110253247 CGIOJDFYUYNXPY-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCCCCn1cc([C@@H](CC)NCC)cn1 110267895 KFDRGQVBAOFZAT-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE N#Cc1cc(F)ccc1Nc1cc(C(F)(F)F)ccc1F 111036717 VROKMXVSGAIXKZ-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CCCOC1 114998194 VNHSFHMZQZVRPI-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@](C)(O)c1cccc(F)c1 115649779 GOMILIFQSYWVOB-INIZCTEOSA-N 252.373 4.784 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(OC)cc1OC 115651595 AKYYJTVVQFAOFG-QGZVFWFLSA-N 294.435 4.878 30 10 CJEE N#Cc1cc(Cl)nc(Nc2cccc(Cl)c2Cl)c1 122603902 LIRRKZWKBJIJGO-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CCN)C1 125530614 DKHXKYKCIFWLSR-SFHVURJKSA-N 282.516 4.578 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccccc1C(F)(F)F 125660596 AVNTZJPTKFCGGE-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1CCCOC1 126689136 REJLXJRXYULJJO-QZTJIDSGSA-N 298.515 4.556 30 10 CJEE CCCCCCC[C@@H](Cc1cc(F)ccc1F)NCC 126907799 SLAZPUZJLHCMOK-INIZCTEOSA-N 283.406 4.846 30 10 CJEE CCSc1cccc(N[C@H]2CCCC[C@@H]2C)c1C#N 126992049 ZKHDOFWFHPYUPM-JSGCOSHPSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCn1cncc1CNCC(C)C 129490925 CUCYPZQIZQEEQH-UHFFFAOYSA-N 293.499 4.769 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cccc(C(F)F)c2)cc1 131936753 XPIRBMGQCQLHOB-OAHLLOKOSA-N 272.298 4.609 30 10 CJEE CCCCCCCCCC[C@@H](O)c1c(C)nn(C)c1C 135560579 BVYOWPMWYIJHAA-MRXNPFEDSA-N 280.456 4.601 30 10 CJEE CCCCCCCCC(=O)[C@H]1SCCS[C@@H]1C 135665773 SSMIDNQHZIUREU-OCCSQVGLSA-N 274.495 4.543 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(Cl)nc1 156165095 PMQFCDRIDOPPCR-AWEZNQCLSA-N 269.816 4.909 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](CC)OCC 159784271 ZLMDTUKMPAUTHM-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@]1(OCC)CCC[C@H](C)C1 164772867 IVXPNJCLSNKQNW-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc(F)c1Cl 167697520 CYASLZWCPALCLT-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1cccc(Cl)c1Cl 212968240 YNHLPKRVRDNGOF-FZMZJTMJSA-N 297.229 4.823 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2cccc(C)c2)C1 222884127 FPXSYVYHRZLHPY-PVAVHDDUSA-N 273.445 4.947 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2ccc(F)cc2O1 229138120 UATJVMAYKCYDIL-RDJZCZTQSA-N 279.399 4.727 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NCC)c2cc(F)ccc2O1 229155831 MDADIOIRAMFWJU-WBVHZDCISA-N 293.426 4.988 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(F)cc2Cl)CC1 232911479 PDUXJDCKCQYIOT-YWCUFVOSSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(O)CCCCCC1 232948829 KTQKMJVDPSQXLQ-QGZVFWFLSA-N 284.484 4.963 30 10 CJEE CCCCCSCc1ccc(C#N)cc1Cl 233063885 YRVIDKICYRZOCM-UHFFFAOYSA-N 253.798 4.635 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1CCCc2sccc21 236548608 DMYCPSKCCDCOAM-UKRRQHHQSA-N 264.434 4.665 30 10 CJEE CC(C)(C)OC(=O)N(c1ccccc1)c1cccc(C#N)c1 238136569 KGMALNJAOCQMSK-UHFFFAOYSA-N 294.354 4.631 30 10 CJEE CC(C)CS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 250564202 LJSOCNRFTKUAIX-BFHYXJOUSA-N 253.455 4.730 30 10 CJEE C[C@@H](C#N)c1cccc2c1ccn2C1CCCCC1 260040800 NUOVHSWOYRWRHG-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCCC(F)(F)C1 302436198 VNQACPKERSOTOM-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 305896584 LLLKZFBUNRMYIS-BZUAXINKSA-N 260.421 4.602 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(C#N)c(F)c2)s1 307941109 CDNPTSYJXPGXJE-UHFFFAOYSA-N 288.391 4.668 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1F 310767506 NEHPERKVYAYGHZ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCc1c(-c2cc(F)ccc2Cl)sc(C#N)c1N 311637897 KIPLOBQWPBDZFU-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2c(C)cc(C)cc2C)C1 316773750 FEKRUTONPMVLTE-MJGOQNOKSA-N 272.432 4.940 30 10 CJEE C=C(CC)C[C@]1(CNCCC)CCc2ccccc2C1 317498416 NUFKKDTWLBZCCU-LJQANCHMSA-N 271.448 4.518 30 10 CJEE CCC1CCC(C=O)(CCCc2ccccc2)CC1 317933446 VYVQTYICEFHNPQ-UHFFFAOYSA-N 258.405 4.795 30 10 CJEE C#CCCCC1(CNCCC)CCC(CCC)CC1 318309358 OWNNZMGLVNRDQC-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(OC(F)(F)F)c1 380269075 WNDSOBYMLLJSIP-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 380313594 LDVWIQBTDXRHSM-NSHDSACASA-N 295.785 4.728 30 10 CJEE C=CC[C@@H](CC)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 393746648 KNAFCTUKSMTHQC-MRVPVSSYSA-N 289.162 4.668 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1C)[C@@H]1CC1(C)C 397669245 HMKPVGBQOMODNK-WBVHZDCISA-N 256.393 4.516 30 10 CJEE Cc1ccc([C@@H](C#N)NC2CCCCCC2)c(Cl)c1 404711427 AKJXIVWLCCIZCF-MRXNPFEDSA-N 276.811 4.526 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)CCCC 410372627 IDOVTMVMZAVESQ-CQSZACIVSA-N 259.393 4.570 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]1C1CC1 455252515 UZTDYTGNXZUVGZ-KRWDZBQOSA-N 298.430 4.555 30 10 CJEE CCCCCCC[S@](=O)Cc1ccc(Cl)cc1F 526913703 XBZUYKHVEOGIST-SFHVURJKSA-N 290.831 4.698 30 10 CJEE C=C(C)COc1cccc(N[C@@H](C)CCC(F)(F)F)c1 541537894 UDZKFPFQRZMMHY-LBPRGKRZSA-N 287.325 4.784 30 10 CJEE C=C[C@H](CC(=O)N1CCCC[C@H]1C1CCC1)c1ccccc1 648702660 ZMNVOSWNEMXUPQ-APWZRJJASA-N 297.442 4.528 30 10 CJEE C#CCCCCC[C@H]1C[C@@H](c2ccccc2)CCC1=O 686690779 ITKIBLFQBONRHP-ROUUACIJSA-N 268.400 4.723 30 10 CJEE C#CCCCCC[C@H](CC1CCCCCC1)NCC 686694857 DPNVEGIISVLQKK-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C#CCCCCC[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C 686698431 XFAUFTBKOXUFFB-SOLBZPMBSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cc(C)nn1C 686742611 DCFLKYFECONIJW-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H]1OCC 690008530 UVLDVDVGXRESBA-GOEBONIOSA-N 254.414 4.511 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3sc(C)nc3C)C[C@@H](C1)C2 697330003 ADGTWWVSHVOOOB-NTQSIJHJSA-N 290.476 4.545 30 10 CJEE N#Cc1ccc(Cl)cc1N1[C@H]2CC[C@H]1c1ccccc12 700438864 TWGBTIQADOKUIB-HOTGVXAUSA-N 280.758 4.608 30 10 CJEE Cc1ccc(COc2cc(Cl)cc(Cl)c2)cc1C#N 701870057 FMHJMHUPCWJFMW-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1(CN)CCC1 702921693 JWYOTISCVHOXDK-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE CCCCCCCN[C@H](C)c1ccc2c(c1)CCC2 703770126 HFYFCBVHZPJBEG-OAHLLOKOSA-N 259.437 4.796 30 10 CJEE CCCCCCCNC1CC(c2ccc(F)cc2)C1 703777385 MOUUSRUZUGIPAD-UHFFFAOYSA-N 263.400 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@@H](C(C)C)C1 704039056 VJNDSEXNXMZTGH-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@]1(C)CC1(C)C 705338193 WOCJFGDSVDOUQC-WBVHZDCISA-N 268.489 4.785 30 10 CJEE N#CC1(Cc2ncsc2Cl)CCCCCCC1 711979565 ODUNQIVPBAUYEM-UHFFFAOYSA-N 268.813 4.593 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)cc(Br)c1 715723780 ZJZCPBWJWJTXQZ-WFASDCNBSA-N 296.252 4.620 30 10 CJEE CCCCCCCCCCn1cc(N)c(CCC)n1 716622041 KVYUAIXONTUMEF-UHFFFAOYSA-N 265.445 4.559 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H](COC)C(C)C 721729050 UHTTULIILCOTQZ-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723625407 KGQRYQVPGIVPFU-BFYDXBDKSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@]2(CNC(C)C)C[C@H]3CC[C@H]2C3)CC1 724598687 CSBKWTHVGPZHQC-GBESFXJTSA-N 275.480 4.927 30 10 CJEE C1CCC(CC/N=C2/N[C@H](C3CCCC3)CCS2)CC1 725079760 DUXCSFMOSUXXET-INIZCTEOSA-N 294.508 4.598 30 10 CJEE CCCCCCCCNc1c(N)cccc1Br 829293389 ULSDETIVBRSBDN-UHFFFAOYSA-N 299.256 4.804 30 10 CJEE C#CCCCCCC(=O)N(c1ccccc1)C1CCCCC1 1125383883 FGRKKGFDNPQHPU-UHFFFAOYSA-N 297.442 4.936 30 10 CJEE C=C(C)CCC(=O)O[C@H]1CCc2c(Cl)cc(Cl)cc21 1127636804 GBPVOIITTMWRFI-AWEZNQCLSA-N 299.197 4.880 30 10 CJEE C=CCC1(CNC(=O)c2ccc(CCC)s2)CCCC1 1128966506 ZTCVUUQCBVBNJR-UHFFFAOYSA-N 291.460 4.567 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)c1ccc(CC)cc1 1129132330 LVNTXDLUUFDUEL-UHFFFAOYSA-N 273.420 4.594 30 10 CJEE C=C(CC(C)C)C(=O)N(CCCC)[C@@H](C)c1ccccc1 1136929026 HMKTUUTZINPAFZ-KRWDZBQOSA-N 287.447 4.979 30 10 CJEE CCCCCCCCCCN1CCCN(CC)C[C@@H]1C 1170998808 ZREMTVXMKMRMKY-SFHVURJKSA-N 282.516 4.543 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC(C2CCCCC2)CC1 1278437030 SITVRTBWEYTTIS-UHFFFAOYSA-N 289.463 4.574 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCC1CCC(C)(C)CC1 1308434445 NQPPNZKXJSFXKM-LJQANCHMSA-N 285.475 4.980 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(CCC)cc1)c1ccccc1 1349028486 FRNBSSPGGVFGRZ-LJQANCHMSA-N 293.410 4.938 30 10 CJEE C#CCCCCCC(=O)Oc1ccccc1[C@H](C)CC 1351464964 XPQLMTYLYMNKSK-OAHLLOKOSA-N 272.388 4.689 30 10 CJEE C=CCN(C(=O)[C@H](CC)CCCCC)c1ccccc1 1352782903 JVXUANZNGMIORZ-MRXNPFEDSA-N 273.420 4.812 30 10 CJEE N#Cc1ccc(SCC2CC3(CCC3)C2)c(Cl)c1 1458996456 IPFJTHIKOKGKCG-UHFFFAOYSA-N 277.820 4.884 30 10 CJEE C=CCCCN(CC)CCc1ccc(C(C)C)cc1 1462631529 ACHDHXYOLMQUSI-UHFFFAOYSA-N 259.437 4.641 30 10 CJEE C=CCC(C)(C)CNC(=O)c1oc2c(C)ccc(C)c2c1C 1523517451 POKIHTLNQOLXOC-UHFFFAOYSA-N 299.414 4.690 30 10 CJEE C=C(C)CN(CC)C(=O)C/C=C\c1ccc(C(C)C)cc1 1525654289 UMZLIAVVGOGWIA-FPLPWBNLSA-N 285.431 4.638 30 10 CJEE C=CCC1(CNC(=O)CC/C=C/c2ccccc2)CCCC1 1525698988 BAQVYIYSAFQJNW-WUXMJOGZSA-N 297.442 4.733 30 10 CJEE C=CCCC1(CNC(=O)c2cccc(Cl)c2)CCCC1 1532340004 AIDCDIXUAKDYHV-UHFFFAOYSA-N 291.822 4.596 30 10 CJEE C=CCC[C@@H](NC(=O)C[C@@H](C)CCC)c1ccccc1 1536282832 FRSSCRZBRGUXGQ-DOTOQJQBSA-N 273.420 4.636 30 10 CJEE CCCCCCCCCCN1CCC[C@@](C)(C#N)C1 1559671660 YZVBMVOTJLGANT-KRWDZBQOSA-N 264.457 4.753 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2(c3ccccc3F)CCC2)C1 1560523091 RPPNWSITXKZUBJ-HZPDHXFCSA-N 287.422 4.582 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCCCC1 1585467437 OMODRIYSUSPCLO-DLBZAZTESA-N 289.463 4.598 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)CCCCCCCCC 1586391702 GDOVZMHEZHMOAS-MRXNPFEDSA-N 265.441 4.694 30 10 CJEE C=CCC1(NC(=O)c2ccc(C)cc2Cl)CCCCC1 1587464364 QVIMHDIDQNNONM-UHFFFAOYSA-N 291.822 4.657 30 10 CJEE Fc1cccc(F)c1C#Cc1ccc(Cl)cc1Cl 1614730749 FVGRZBULJKYHEY-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CC)Cc1ccccc1)c1ccccc1 1617550951 ZHRZQWDKTFNQRY-IEBWSBKVSA-N 294.394 4.726 30 10 CJEE C=C1CCC(CNC(=O)/C=C(/CC)c2ccc(C)cc2)CC1 1625700239 YKVUVOMVPWTKBY-AQTBWJFISA-N 297.442 4.651 30 10 CJEE C=CCCCN(CC)C(=O)c1coc2ccc(C(C)C)cc12 1627341020 IMUGMULDJOMKPY-UHFFFAOYSA-N 299.414 4.985 30 10 CJEE C=CC[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1 1640823599 LVOUONYNDBLXKI-JTQLQIEISA-N 263.337 4.537 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1ccccc1C 1652322286 SOSLHIOMFZQDIA-KRWDZBQOSA-N 295.426 4.753 30 10 CJEE C=CCn1c(SC2CCCCC2)nc2ccccc21 1652388500 JDCSSGJRDRYQIS-UHFFFAOYSA-N 272.417 4.647 30 10 CJEE C#Cc1ccc(NC[C@H]2CCc3ccccc3C2)c(Cl)c1 1653184807 OQZGLLWTDWAQJC-HNNXBMFYSA-N 295.813 4.538 30 10 CJEE C=CCCCCNC(C)(C)c1cccc(Cl)c1F 1654248780 VZIMMOONAHYVNF-UHFFFAOYSA-N 269.791 4.660 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)CC2CCCC2)c1 1657771463 ZIYZCGABVXFDEN-UHFFFAOYSA-N 289.422 4.865 30 10 CJEE C=CC(C)(C)CCCNC/C=C\c1ccc(F)cc1F 1658541378 KJVFCNKLDOVKGX-ALCCZGGFSA-N 279.374 4.560 30 10 CJEE C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCC[C@H]1CCCCCC 1659040901 USDODFCSCLVDNE-YRXWBPOGSA-N 293.495 4.696 30 10 CJEE C#C[C@H](NC[C@@H]1CCCC[C@H]1C)c1ccc(Cl)cc1F 1659187555 LIUALFQLEBGLNQ-IGCXYCKISA-N 293.813 4.569 30 10 CJEE C=C(CC)CN(Cc1ccc(F)c(Cl)c1)CC(C)C 1659588392 UCSHDQJNZOLORV-UHFFFAOYSA-N 283.818 4.903 30 10 CJEE C=CC[C@@H]1CC[C@H](NC2CC(C)(C)CC(C)(C)C2)C1 1664035509 DZTHVQJZSQNDIO-CABCVRRESA-N 263.469 4.926 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc(Cl)c1C 1666906643 YRBRJWZHWBPOLM-LLVKDONJSA-N 280.799 4.515 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@](C)(CC)C1 1682864759 KLGWAMGGJGJHSL-GOSISDBHSA-N 294.483 4.735 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1CC[C@@H]1C1CC1 1876569980 LRIGVPVNRBZWLT-IAGOWNOFSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@H](O)C[C@]1(C)CCCOC1 1877681432 GRENHACXTZILPB-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CCCCCCCCCCC(=O)C12CC(C1)[C@@H](C)O2 1878390463 YXMCHDXPXHBSTI-HPUBIQBYSA-N 266.425 4.654 30 10 CJEE CCCCC[C@@H](CC)NC[C@@H](C#N)C1CCCCC1 1879155304 QVRCOVGYNNSATQ-IAGOWNOFSA-N 264.457 4.655 30 10 CJEE CCCCC[C@H](CC)Nc1cc(CC)ccc1C#N 1879162352 QBOOKIMVAHMCEV-INIZCTEOSA-N 258.409 4.891 30 10 CJEE CCCCCCCCCN(C)CCc1ccccc1 1883430473 RZHVSYPOIZSIAP-UHFFFAOYSA-N 261.453 4.912 30 10 CJEE C=C1CCC(CN2C[C@@H](C3CCC3)CC[C@@H]2C)CC1 1884407463 NNEWTTPROGFXHL-YJBOKZPZSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@@H](N)C1CCC(CCCC)CC1 1885264062 GMPAVXOWDIKYGJ-DAWZGUTISA-N 263.469 4.894 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@@H]1CCO[C@@H]1C 1885729301 AOCTYHCBSFCRTG-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE C=C(c1ccccc1)[C@@H](N)C(C)(C)C1CCCCC1 1888681398 DNAIVHWUXUZJQB-QGZVFWFLSA-N 257.421 4.634 30 10 CJEE C=CCCCSCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 1888996924 REIFTJTVTJKTEL-UHFFFAOYSA-N 296.285 4.654 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(Cl)ccc1Cl 1903154054 CRIHYMULWUVUDP-UHFFFAOYSA-N 257.160 4.778 30 10 CJEE CCC1(C)CCC(Nc2ccc(C)c(C#N)c2)CC1 1909972466 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CCC[C@](C)(C#N)[C@@](C)(O)c1cc(Cl)sc1Cl 2000514891 ONYAVUOCWBWZNU-NEPJUHHUSA-N 292.231 4.592 30 10 CJEE C#CCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2005476341 FRUXADZKOKQAMQ-LLVKDONJSA-N 290.259 4.899 30 10 CJEE CCCCCCCCCC[C@](O)(CC)C(F)F 2009025498 IBPRXBYPVYFJCN-CQSZACIVSA-N 250.373 4.923 30 10 CJEE CCCCCC#CCOCc1ccccc1Br 2024413945 SPVUMMQMSCNLGS-UHFFFAOYSA-N 295.220 4.549 30 10 CJEE Cc1cc(Cl)ccc1CC1(C=O)CCCCCC1 2027604491 WZFAZJYOEPJBQD-UHFFFAOYSA-N 264.796 4.730 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCC[C@@H]2C)CC1 2032511754 XIRAJHPVYHBUSK-SOEBMCCKSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@@H]2NCC[C@@H]21 2037292829 JYNGVIKNPFAEEU-JYJNAYRXSA-N 255.421 4.607 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](CC)CC(F)(F)F 2040530010 OFAOJVSEAFGMOR-RWMBFGLXSA-N 265.363 4.545 30 10 CJEE CCCCCCCCCNC[C@H]1CCS[C@H](C)C1 2041713379 VBXYHWHNBVRALP-CVEARBPZSA-N 271.514 4.858 30 10 CJEE C[C@@H]1C[C@](C#N)(CC2CC(C(C)(C)C)C2)CCS1 2043026061 VIBIJUGNGRTGFA-WOICTCIZSA-N 265.466 4.874 30 10 CJEE 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YGNTXRYOBASZNR-PNKHAZJDSA-N 261.453 4.667 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1[C@@H]2[C@H]1CCC2(F)F 2333960436 CGCUTSISNCNLBB-KBXIAJHMSA-N 273.411 4.759 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335671014 AKZDKGCNUMPRJD-HZMBPMFUSA-N 284.375 4.517 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC[C@@H]1CCCCC12CC2 2337159769 KMDFCRRMLCCSAI-IXDOHACOSA-N 261.453 4.681 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC=C(C)CC 2338537204 ZNCYPLMBGAQKFJ-DLBZAZTESA-N 269.473 4.562 30 10 CJEE C=CCN(CC(C)(C)Cc1ccccc1)C(C)(C)C 2339502363 LJTQXXVGRKMKGM-UHFFFAOYSA-N 259.437 4.542 30 10 CJEE C#Cc1ccccc1N[C@H](CC)CC1CCCCC1 2339961391 XTNBBZXODMPWDE-QGZVFWFLSA-N 255.405 4.829 30 10 CJEE C=CCCCCCCC[C@@H](CCCCOC)NCC 2340967551 UYQJMHUJVGLTFC-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CC1=C(C)C[C@H](COc2cc(Cl)ccc2C#N)CC1 2343304468 HSZIOVNBWVBBCX-CYBMUJFWSA-N 275.779 4.727 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC12CCC2)NCCC 2344337741 UBPILPCXFDKZOI-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]1C1CC1)NCCC 2344344278 RSRMOPNSHYKPCN-OWSLCNJRSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc2ccccc2o1 2344346321 RHSXOEAGBWWSPM-INIZCTEOSA-N 257.377 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC(=C2CCC2)C1)NC 2344377221 CNANCCGYPDOUMH-ROUUACIJSA-N 261.453 4.847 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@H]1CC(C)(C)OC1(C)C 2344422451 YGCOOZIPJMAFHU-SUMWQHHRSA-N 266.425 4.532 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344460006 NHBQNMMSPRIJPF-PNKHAZJDSA-N 264.453 4.946 30 10 CJEE C=CC[C@@H](C)S[C@@](CC)(C(=O)O)c1ccc(Cl)cc1 2352004225 SEHKIOGXLASRCF-IAQYHMDHSA-N 298.835 4.728 30 10 CJEE CCCC1CC(CN(C)C[C@@](C)(CS)C(C)(C)C)C1 2352072528 NNKZJYNDVJWJQY-DQPZFDDXSA-N 285.541 4.727 30 10 CJEE CN(CC1(C)CCCCC1)C[C@](C)(CS)C(C)(C)C 2352084825 KXOZQXQHAKIZSF-QGZVFWFLSA-N 285.541 4.871 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CC[C@@H](c2cccs2)C1 2352178938 OMTBZGBUVCLFKS-CZUORRHYSA-N 297.533 4.520 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@H]2CCC[C@H]2C#N)c1Cl 2353042806 RLSMYHSXMCTEPS-MJVIPROJSA-N 297.229 4.645 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C[C@H](CC)CCC 2353453071 DCQUGAKKSWOOOK-ZACQAIPSSA-N 271.489 4.642 30 10 CJEE CSc1cc(N(C)c2cccc(Cl)c2)ccc1C#N 2353846356 UCEJJMKXBFDCED-UHFFFAOYSA-N 288.803 4.701 30 10 CJEE CCCCCCC[C@@H](O)[C@H](C[C@@H]1CCC[C@H]1C)NCC 2354024863 PXYIDJXMNXMIDQ-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CCC[C@@H]1C[C@@H]1C)NCC 2356072388 NDHVGQWBQVFMRF-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@@H]1C)NCCC 2357155437 UAWFEAZFGWCDIK-WNRNVDISSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]2C[C@H]1CO2 2359110361 RFTRMQXNGWZYNK-XLAORIBOSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)OC[C@@H](NCC)c1ccccc1Cl 2360215012 POSSXKIDGYFAJC-QGZVFWFLSA-N 293.838 4.528 30 10 CJEE C=C(C)Cn1c(-c2ccccc2Cl)nc2ccccc21 39907862 GNPCEFFWQAYDSU-UHFFFAOYSA-N 282.774 4.933 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cccc2cccnc12 49933741 DPHTXVCDVUOUAX-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1 52857948 BJKPXXXXKRSSJF-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE COc1ccc(N[C@@H](C#N)c2csc3ccccc23)cc1 54464710 CYCDUSIZMIDZML-INIZCTEOSA-N 294.379 4.587 30 10 CJEE Cc1cccc(CS[C@H]2CCCCC[C@H]2C#N)c1 54965709 XPICAFAFTQYCFR-HOTGVXAUSA-N 259.418 4.701 30 10 CJEE CCc1cc([C@@H](C#N)[C@@H](C)c2ccccc2)ccc1OC 57746971 SAKSNQBVFZODKD-KSSFIOAISA-N 279.383 4.668 30 10 CJEE CCCCCCC[C@@H](C)NCCCN1CCCC[C@@H]1C 59089821 STKRCMWBJSHVIS-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(OCC)cc1 59100134 VIFVYVBJAKSGIP-KRWDZBQOSA-N 287.403 4.622 30 10 CJEE COc1cc(C)c(Cl)c(C)c1-c1cc(C#N)c(C)s1 77095370 CCNRXHGWGBYUPI-UHFFFAOYSA-N 291.803 4.874 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](C#N)c1ccccc1 80799625 DKGMNDHIVPXVME-WMLDXEAASA-N 298.817 4.640 30 10 CJEE N#C[C@@H](CSc1nc2ccccc2s1)c1ccccc1 80800548 HJOFCMQZPIBTAT-ZDUSSCGKSA-N 296.420 4.696 30 10 CJEE SCCCCCSc1cccc(Br)c1 87097952 YAYCBXPKGVDIOQ-UHFFFAOYSA-N 291.279 4.641 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(F)cc2F)C1 87972705 YGOVGVVPBLXBOO-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE CCC1(CC)CS/C(=N\c2c(C)cccc2Cl)N1 90534961 OUKVXNJZGQHBNE-UHFFFAOYSA-N 282.840 4.531 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OCC1(CS)CC1 94584396 JRGAOWJZZHUFSE-UHFFFAOYSA-N 284.852 4.861 30 10 CJEE C[C@H]1CCCCN1CCCCCCCCCS 97799150 QLEYCRSWZLNJLF-HNNXBMFYSA-N 257.487 4.521 30 10 CJEE SCCCCCCCCCN1CCc2sccc2C1 97799161 YHVRGQABSKKGTI-UHFFFAOYSA-N 297.533 4.767 30 10 CJEE CCCCCCCCNC/C=C/c1ccc(F)cc1 106283815 VOQKUUNJCCZNMB-CMDGGOBGSA-N 263.400 4.789 30 10 CJEE CCCCCCCO[C@H](c1ccc(Cl)cc1)[C@H](C)N 109987473 DGXNBWHBKHICDU-BBRMVZONSA-N 283.843 4.715 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)C[C@@H]2CC[C@@H]1C2 110196876 LYCLBEZUZAFSRQ-NUJGCVRESA-N 263.469 4.905 30 10 CJEE COc1cc(Cl)c(C)cc1Nc1cc(C)ccc1C#N 110251413 YUFSYMGXTVKZRR-UHFFFAOYSA-N 286.762 4.581 30 10 CJEE CCCCCCC[C@H](Nc1ccc(F)cc1)C(=O)OCC 110319408 OGPPPIWAHBKZNM-INIZCTEOSA-N 295.398 4.530 30 10 CJEE CCCCCCCCCCCCCCNCCOC 110449427 LPKSFNMUKMQLGC-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@@H]1C1CC1 114056138 FVCPSDGXFRLRAV-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1Cc2ccccc21 115556285 CQPLCTXHNNFKAB-ROUUACIJSA-N 259.437 4.665 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@@](C)(CC)C1 115653965 WRPSHZOMLNLFRO-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCCC(=O)NCC(O)(CC)CC 115858871 GRIKBTDFQZQBBW-UHFFFAOYSA-N 299.499 4.575 30 10 CJEE CCCCCCCCc1onc(N)c1-c1ccccc1F 116907156 CCSNSCPEMAZQCN-UHFFFAOYSA-N 290.382 4.966 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncccc1F 122702240 BHUBXBOCNBLVOY-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CCCO 126893325 PEANHQRBLPXVCK-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1F 127212434 QAEJBNJXIAYNEV-INIZCTEOSA-N 288.753 4.914 30 10 CJEE C=CCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 128881781 ZPPGTQCSTZWVOZ-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCN1CC[C@H](C)N[C@@H](C)CC1 129456264 OHZVQKOHZTYFPH-ROUUACIJSA-N 282.516 4.590 30 10 CJEE N#Cc1cc(F)c(Sc2ccc(Cl)cc2)c(F)c1 134024651 CIKASNYAZGQPPB-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(CC)nn1CC 139427414 XPXWXUKKXKLNCG-MRXNPFEDSA-N 279.472 4.606 30 10 CJEE C=C(C)CCO[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 164278977 MOKHHULZCPSLOD-JTQLQIEISA-N 287.186 4.547 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C(C)C 166840713 DFCGXCMTGYMONB-INIZCTEOSA-N 256.478 4.785 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccccc2C)c1C#N 167583854 GLBYBZDHOWAWMU-ZDUSSCGKSA-N 282.412 4.762 30 10 CJEE CCCCCCCCC[C@@H](O)CC[C@@H]1CCCCO1 168192231 SNEUECOFGVCXRQ-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(CC)CCCNC1 169076706 RCSBXWZDVZGWOM-SFHVURJKSA-N 281.484 4.866 30 10 CJEE CC/C(=N\O)c1ccccc1OC1CCC(CC)CC1 212861508 YDTLIRBFYWHXJA-FBMGVBCBSA-N 275.392 4.623 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccc(Cl)cc1Cl 212966987 FPEGOCQUXUSPIB-WFASDCNBSA-N 297.229 4.823 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCN2CCCC[C@H]21 228267634 CEXSLGJOYVBVHW-ZWKOTPCHSA-N 281.484 4.507 30 10 CJEE CCCCCCC[C@@H](CCC(C)(C)OC)NCCC 231017890 INBLCWIPTSRJSZ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE C=CCCCCCn1c(CCC)nc2ccccc21 233407750 XUPNONBVRWLISJ-UHFFFAOYSA-N 256.393 4.735 30 10 CJEE C=CCCCC(=O)c1cc(Cl)ccc1Br 236055184 OBZARARYLQTPMH-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)c(Br)c1 236228183 DZSCJDSSNGSVDE-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE C=CCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 236237250 DYOGNBOZVOOAHY-AWEZNQCLSA-N 287.234 4.634 30 10 CJEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 250255343 PVJRXKVONROQKA-GJYPPUQNSA-N 290.341 4.524 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@]1(C)C1CC1 250802412 DGHZRNRHUBPLLU-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCC(=NO)c1ccc(O[C@@H]2CCC[C@@H](CC)C2)cc1 252464189 KXDSFWKJGZALMA-CZUORRHYSA-N 275.392 4.623 30 10 CJEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN)CC[C@H]12 254498712 OTWRKZRQJVDSJI-WZDWFBNESA-N 288.479 4.734 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 305896585 LLLKZFBUNRMYIS-HRCADAONSA-N 260.421 4.602 30 10 CJEE C[C@@H]1CCC[C@H](COC[C@@H](CS)c2ccccc2)C1 311435513 RUIBDQIASIJFFN-VYDXJSESSA-N 278.461 4.543 30 10 CJEE CC[C@@H]1CC[C@H](C)N(CC2(CS)CCCCCC2)C1 311895154 WYUJRKZRJUEMOM-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@]1(C)CC[C@](C)(CNCC(C)C)O1 312676743 MOGMLWPZZQEXEZ-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@](C)(CNC(C)(C)C)OCC 315826395 GEQAOOBWBSBTAN-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1cccc(Cl)c1Cl 317012717 SGFPOJIRCVNSAB-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE C=CCCCCC[C@]1(CNCC)CCCC[C@@H]1C 317221791 FWBMMJKXHOAMLD-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CCCCCCCCCCCC[C@]1(C=O)CCOC1 317503048 GOPJQLBXMXNRRP-QGZVFWFLSA-N 268.441 4.903 30 10 CJEE O=CC1(Cc2cc(Cl)ccc2Cl)CCCCC1 317609783 SWQDXQCVLPNYNB-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE C=C(C)C[C@]1(CNC(C)(C)C)CCC[C@H](CC)C1 318170640 UGBDWRMWJUVVJA-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCC1CCC(C#N)(Cc2coc(Br)c2)CC1 383117622 SIFPJEXQMQXSMI-UHFFFAOYSA-N 296.208 4.695 30 10 CJEE CCCCCCCCCCOCCC[C@H](C)CN 384461383 NWBJBXLNGFLVFT-INIZCTEOSA-N 257.462 4.519 30 10 CJEE C=C(CC)C[C@H](NCC)c1cccc2ccsc12 386318385 CFOZHQDYMDAFOM-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=C(COCCC)[C@@H](C[C@@H](C)CC(C)(C)C)NCCC 387525033 LCLCTKJJOZBVIK-NVXWUHKLSA-N 283.500 4.800 30 10 CJEE CC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2cccc(Cl)c2)CC1 393289507 BPHVXDFOLCFHSL-XJKCOSOUSA-N 289.806 4.733 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 398202308 WNHYFZBGMPWYGW-RYUDHWBXSA-N 269.791 4.875 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCCc2ccccc21)C1CCC1 398703349 KTBPAFYBPNZGOS-KBXCAEBGSA-N 253.389 4.611 30 10 CJEE C=C(C)CCSCc1ncc(-c2ccc(OC)cc2)o1 507832488 CFFXXMZRWIPJOJ-UHFFFAOYSA-N 289.400 4.550 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@H](OC)C1 686347859 CBZPPFFQRWGBDH-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CC[C@](O)([C@H]1C[C@H]1C)C1(C#N)CC(C)(C)CC(C)(C)C1 688314874 BKJNCODDOBECRP-GLJUWKHASA-N 277.452 4.530 30 10 CJEE CCCCCCCC[C@H](O)c1ccc2c(c1)CCOC2 688362915 YWUXEYZFDROUAE-SFHVURJKSA-N 276.420 4.543 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1OCC 689920429 BPJNKZTYHPKKKJ-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCOc1ccc2c(c1)[C@H](NC)CC2 690815037 WGJXAQAXJKGYEK-GOSISDBHSA-N 275.436 4.633 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)ccn1 692251528 JVEPIZQUURHSHB-AAEUAGOBSA-N 284.325 4.647 30 10 CJEE CCN[C@@H](C#Cc1ccccc1)c1cc2cscc2s1 694397198 DRYGGGKUYFCZIG-HNNXBMFYSA-N 297.448 4.665 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)c(F)c(C)c1 694896407 WFINTYGSTVOPKD-INIZCTEOSA-N 263.400 4.840 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(C)c(F)c(C)c1 694896408 WFINTYGSTVOPKD-MRXNPFEDSA-N 263.400 4.840 30 10 CJEE C=C(CC)C[C@H](O)c1cc(C(F)(F)F)ccc1Cl 694985812 KQPNNCJLSQLJFG-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE CN(CC1(CS)CCCCCC1)C1C[C@H]2CC[C@H](C1)C2 697668388 CZVZULODTIHZIE-HOTGVXAUSA-N 295.536 4.767 30 10 CJEE CCCCCCCNc1nc2c(C)cccc2s1 705970439 MQVAUAZVLVWLPR-UHFFFAOYSA-N 262.422 4.987 30 10 CJEE C=C(Cl)CC1(CNCCC)CCC(C)(C)CC1 710668613 HFAVSQFXAOXJET-UHFFFAOYSA-N 257.849 4.715 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2c(s1)CCCCC2 715812749 HUGGHIDPWFLZRM-CXAGYDPISA-N 277.477 4.880 30 10 CJEE CCCCCCCCCCCCN[C@H](CO)C1CCC1 717592217 AWHILTYVVHXPQK-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 719306924 GZGMRFSHRXAPCY-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1cc(C#N)ccc1Cl 719307912 LYYSOIGTUAJASF-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](C)C(=O)NC12CCCCC2 721063971 QVRLEIPHMADBGC-DOTOQJQBSA-N 279.468 4.822 30 10 CJEE CCCCCCCC[C@@]1(F)CC[C@H]2CCN[C@H]1C2 721821864 DFJKOYUHFXJHAJ-HRCADAONSA-N 255.421 4.607 30 10 CJEE N#Cc1ccc(N[C@H](C2CCCC2)C2CC2)c(Cl)c1 723852993 PVMCHDHCHKYNNT-MRXNPFEDSA-N 274.795 4.592 30 10 CJEE C=C1CCC(C[C@@H](NC)c2c(F)ccc(C)c2F)CC1 724605189 HNDVXPYWVQZBRS-OAHLLOKOSA-N 279.374 4.670 30 10 CJEE C=CCCCN(CC)C(=S)Nc1cccc(Cl)c1C 899694193 XMUWBHGMWCQTLB-UHFFFAOYSA-N 296.867 4.633 30 10 CJEE C=CCN(C(=O)CC1(C)CCCCC1)c1ccccc1 1124757684 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4.788 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1c1ccc(Br)cc1 62670611 GBQVEEABBYMDGZ-GXTWGEPZSA-N 278.193 4.637 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cnc2ccccc2c1 62790095 UUPHJUWQWWNMON-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCCc2ccccc21 71277640 OUQWIEMNGKXMHS-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=CCN(CC=C)[C@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C 74324262 HIDIQSUPEYDYKB-SFHVURJKSA-N 297.446 4.551 30 10 CJEE C=CCNc1cccc(-c2nc3ccccc3s2)c1 75825300 DFAFFKDAMACPNF-UHFFFAOYSA-N 266.369 4.561 30 10 CJEE CCOc1ccc(-c2nc(C3CC3)c(CS)s2)cc1 82441934 XYKPHESGXOMMDF-UHFFFAOYSA-N 291.441 4.516 30 10 CJEE N#Cc1ncccc1CSc1ccc(Cl)c(Cl)c1 88304103 XCIWLEVFQLUGIF-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE Cc1ccc(C(F)(F)F)cc1N[C@H]1CCCC[C@H]1C#N 91479337 DPTUXSVHZJYLRM-AAEUAGOBSA-N 282.309 4.508 30 10 CJEE CC(C)(C)[C@H](CS)CO[C@@H]1CCCc2ccccc21 94583795 GCDZTNYNKONCKI-GOEBONIOSA-N 278.461 4.673 30 10 CJEE Nc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)cc2)cc1 98089074 XYOWXAVBJRMQHW-NVNXTCNLSA-N 299.373 4.832 30 10 CJEE C=C[C@@H](C)Cc1cc(C(F)(F)F)ccc1OCCC 107475847 CDPNMYSHRAOUFA-LLVKDONJSA-N 272.310 4.859 30 10 CJEE CCCCCCC[C@H]1Cc2ccccc2[C@H]1NCC 109658711 VMWBOKXKNYCJPC-WMZOPIPTSA-N 259.437 4.870 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1O 110022456 CKOIMAWZQAQUQU-ULQDDVLXSA-N 284.484 4.939 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265646 NZWDRUZLOBSQRI-FGTMMUONSA-N 290.495 4.997 30 10 CJEE CCCCCCCCCCOc1ccc2c(c1)OCC2=O 110305908 RZGUOLLVIYRMSV-UHFFFAOYSA-N 290.403 4.781 30 10 CJEE CCCCCCCCOc1cc(C)ccc1[C@@H](C)N 110962103 LULQJLCYXRZFSR-OAHLLOKOSA-N 263.425 4.754 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@@]1(C)CC 115225035 ZQAFTILREZFGBJ-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCC[C@]1(CO)CCCNC1 116630847 RQUVGKZXFDYIOZ-SFHVURJKSA-N 283.500 4.660 30 10 CJEE CCCCCCC[C@@H](CN)N(CC(C)C)C(CC)CC 123578467 WYSVSVFIWLYUAA-SFHVURJKSA-N 284.532 4.821 30 10 CJEE CCSc1cccc(N[C@H](C)C2CCCC2)c1C#N 127060361 BQYAHBWXRIILGO-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE 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C=CCCCCC[C@H](NC)[C@@H]1CCCc2ccccc21 234429155 ZAHUVEFLIRRBSQ-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE C=CC(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl 236038290 YBFRKJHJTQCJGU-UHFFFAOYSA-N 269.942 4.669 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1SC 300668451 QBWQXBXENDOUPT-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCCC(F)(F)C1 311161938 MOLSELBMVRFFNF-CABCVRRESA-N 273.411 4.927 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2snc3ccccc23)C1 311335636 IGRLIDHTJHLQKV-LRDDRELGSA-N 270.401 4.658 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H]2C[C@@H]2c2ccccc2)C1 311583377 VEOHRGNBZCHDQA-DDBAPUKQSA-N 253.389 4.900 30 10 CJEE C=CCCCCCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 312049563 BJGWJHBEFWAQNN-UONOGXRCSA-N 277.374 4.834 30 10 CJEE CC(C)(C)CCCOc1ccc(C#N)c2ccccc12 312937386 FUMGWCIPOCUGNX-UHFFFAOYSA-N 267.372 4.917 30 10 CJEE CC[C@@H](Nc1cccc(CC#N)c1)c1cccc(C)c1 313434712 IEDRIDOMZWESFX-GOSISDBHSA-N 264.372 4.624 30 10 CJEE C[C@H](Cn1ccc2c(C#N)cccc21)C1CCCCC1 313456481 CMCBYQSYHZFLFY-CQSZACIVSA-N 266.388 4.729 30 10 CJEE 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CJEE CCCCCCC[C@@H](NN)c1cc2cscc2s1 694421282 JMJLHCVYNIEJKO-GFCCVEGCSA-N 282.478 4.828 30 10 CJEE CCCCCCCCC[C@](C)(O)COc1ccccc1 699400715 FGIKGOZNBKZPAA-SFHVURJKSA-N 278.436 4.957 30 10 CJEE C=C1C[C@H]2CC(NCCc3cccc(Cl)c3)C[C@@H](C1)C2 702944541 VFBHKHLBPBNMNG-BYICEURKSA-N 289.850 4.607 30 10 CJEE CC(C)CCCCOc1ccc(C#N)c(Br)c1 703568122 GDSUBUZKHVFXPM-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE C=CC[C@@H]1CCCCN(c2c(Cl)cc(N)cc2Cl)C1 705905799 BGUNPDHLFVGMQB-LLVKDONJSA-N 299.245 4.758 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 709129570 UIKKJRBGSMNZHP-QWRGUYRKSA-N 298.213 4.852 30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccc(Cl)cc1 709563845 JQKLRMHFERNHIQ-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(C)c(F)c(C)c1 710601712 HSZDOPBDVQGWQR-AWEZNQCLSA-N 269.791 4.626 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)[C@@H]1CCCCO1 711873376 NWQDAQKVBGIJRV-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C(C)(C)C)cc1 715796126 OGVZLVYBSDBGER-PBHICJAKSA-N 259.437 4.847 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1CC(C)(C)CO1 717369733 CJWNLQZUCYXAAP-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE Cc1nc(SCC(C)(C)C(C)C)c(Cl)cc1C#N 718785071 WYZHZHMJISJLPT-UHFFFAOYSA-N 282.840 4.689 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(Cl)ccc2F)CC1 724544552 LHYGPILDWMGESY-INIZCTEOSA-N 281.802 4.876 30 10 CJEE C=C1CCC(COc2ccc(Br)cc2)CC1 724569486 IQARSKQKQCKBFN-UHFFFAOYSA-N 281.193 4.574 30 10 CJEE C=C1CCC(C[C@@H](N)C(C2CCC2)C2CCC2)CC1 724589313 QJQGGGZTXHTYGK-QGZVFWFLSA-N 261.453 4.667 30 10 CJEE CC(CCC1CCCC1)=NNc1ccc(C(F)(F)F)cn1 740760910 DCXHXVOPTYGAQS-UHFFFAOYSA-N 299.340 4.859 30 10 CJEE C(=NNc1cccc2ncccc12)C1CCCCCC1 741848128 RBLWRWSLHBHFMC-UHFFFAOYSA-N 267.376 4.603 30 10 CJEE C#CCCCSCc1ccc(Cl)c2cccnc12 766738625 MQWMPMXONJADCT-UHFFFAOYSA-N 275.804 4.535 30 10 CJEE C#CC[C@@H](N[C@@H](C)c1cc2c(s1)CCC2)c1ccccc1 773116453 RSOHESXEFBELFO-WMLDXEAASA-N 295.451 4.652 30 10 CJEE c1ccc(ON=C(c2ccccc2)c2ccccc2)cc1 1088688752 DMMMOFNUHMCKOG-UHFFFAOYSA-N 273.335 4.518 30 10 CJEE 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C=CCCCCCC[C@@H](C[C@@H]1OCCCC1(C)C)NC 2206899369 XJIDRLCQFNUTQW-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)c1ccc(F)c(Cl)c1 2206900241 RMBZSRUWZJSRMB-MRXNPFEDSA-N 298.785 4.608 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@](C)(O)CCC(C)C 2207427123 JTFMXLDXNYPQIB-ROUUACIJSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cnc(OC)s1 2207429559 KPJCDLWBNGXFRU-CQSZACIVSA-N 297.464 4.882 30 10 CJEE CC=C(CC)[C@@H](NCCC)[C@H](O)CCCCCCCC 2207455355 CICOEVLUBUDIES-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@H](CN)N1CCC[C@@H](CCC)C1 2207469401 NCEHIKOMLAYURW-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)CCC1CC1 2220009419 BLVORQSPIJWOOE-SFHVURJKSA-N 273.486 4.974 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1CCCC1(F)F 2220089461 QFBRFTBBHBWZAA-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C[C@H]1C[C@H]1CCN(C)CCCCCCCCCS 2220938454 ZSWWYUUIXHCFAY-JKSUJKDBSA-N 271.514 4.625 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@H]2C[C@@H]1C2 2222318304 SUDDCWBLMBNEDZ-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=C1CC(Cc2cc(Cl)ccc2OC(F)(F)F)C1 2223310443 XJSKBHNFUKBBHH-UHFFFAOYSA-N 276.685 4.747 30 10 CJEE CCCCCCCCCCCC[C@@](C)(CN)OC 2223571279 FZFMKXMRWLSKOX-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CC1(C)CCC(C#N)(CCCCCCCCO)CC1 2224937281 DHENGHCRBLPHIP-UHFFFAOYSA-N 265.441 4.820 30 10 CJEE C=CCCCCCCC[C@H](O)C12CCC(F)(CC1)C2 2227269093 WBHRNBLDMICBCQ-GTPINHCMSA-N 268.416 4.936 30 10 CJEE C=C1CCC(C[C@](C)(O)c2ccc(Cl)c(F)c2)CC1 2227573020 NLSYSOWNJPPQSP-INIZCTEOSA-N 282.786 4.823 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1sc(C)c(C)c1C 2228569372 VZMANTRZMQWHMY-HZPDHXFCSA-N 279.449 4.817 30 10 CJEE C=CCCCCc1ccc(CNC2CC2)c(F)c1Cl 2231741238 GJYUSLPKXHWGKY-UHFFFAOYSA-N 281.802 4.630 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H](C)c1ccc(C)cc1 2232084234 PKNKWWJRMKJXMK-WMZOPIPTSA-N 259.437 4.952 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H](C)c1ccc(C)cc1 2232088651 VQYIMZCKLIYZRC-XYJFISCASA-N 259.437 4.679 30 10 CJEE CCCC#C[C@@H](NCCC)c1c(C)oc2ccccc12 2233781766 JPIXKOWFQUVLAE-MRXNPFEDSA-N 269.388 4.585 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCC2(CC2)[C@@H]1N 2234045886 YRPPEBRFNQEPPI-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCOC[C@@H](O)C1CCCCC1 2234047066 FQSMAWGPPSURJK-GOSISDBHSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(OC)ccc1C 2235518215 DRVBNYBGQHKQBI-SFHVURJKSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](O)C(C)(C)CC 2235527087 RMNAFFOIHGMDTI-DLBZAZTESA-N 283.500 4.678 30 10 CJEE CC1=CC[C@](C)(CN(C)[C@@H]2CCCCC[C@H]2C#N)CC1 2237287339 VDRIPZGPYSRQPO-KSZLIROESA-N 274.452 4.527 30 10 CJEE CCCCCCCC(=O)[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2238152962 ASNGMZRYHOODRZ-QAPCUYQASA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CCC[C@H](C(C)(C)C)C1 2238159145 WKFIRILVARYZHL-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE CCCN[C@@H](C#N)[C@@H](C)SCCCCCCCC1CC1 2239357592 GRCYSFAPNCXZTR-WBVHZDCISA-N 296.524 4.750 30 10 CJEE CCCCCCCCCO[C@@H]1CCC2(CC2)[C@H]1NCC 2239448613 JLPOVJDAYUXNNR-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCOC[C@H](NCC)[C@@H]1CC1(C)C 2239449219 NPZSSQVHRLDCJF-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCOC[C@@H](CC1(C)CC1)NC 2239493488 SVRDVRCGCCXISI-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCO[C@@H]1CC(=O)[C@@]12CCC[C@H]2C 2239511269 TYEXGJMCXADABV-NXHRZFHOSA-N 280.452 4.901 30 10 CJEE CCN[C@H](C#Cc1ccc(Cl)cc1)C(CC)(CC)CC 2239561419 IHBVCCBTRSAJEG-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE CCc1cc(Cl)ccc1NC[C@@H](C#N)c1ccccc1 2240494341 FBKARNQYMQSEMW-OAHLLOKOSA-N 284.790 4.622 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@H]1CCCC[C@H]1O 2240639319 DOILICGMRJNEDO-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCOCCC1(F)F 2240639746 IOARZLOMAWAELR-GJZGRUSLSA-N 291.426 4.529 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CCC(C)C)NCC 2240666526 NPYPTMHLNOCOKQ-ROUUACIJSA-N 285.516 4.902 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1csc(C2CC2)c1 2248044305 JNMSKSNACFAZKB-CYBMUJFWSA-N 269.841 4.809 30 10 CJEE CCCCCCCNc1ccc(OC)cc1Cl 2248145558 DXNZHIFMYASDKS-UHFFFAOYSA-N 255.789 4.731 30 10 CJEE C=CCCCCCCCSCCC[C@H](C)NC 2250065602 PLIBTNSCSSLQSW-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(OC)ccc1Cl 2256216872 IQGVOOBBLFURMO-AWEZNQCLSA-N 288.218 4.532 30 10 CJEE N#Cc1cc(F)c(SCCC2CC(F)C2)cc1Cl 2257907792 SDPWHXNCZCRWIG-UHFFFAOYSA-N 287.762 4.581 30 10 CJEE C=CCCCSc1cccc(C)c1CNCCC 2259045275 LJVSLEBEIXTCMZ-UHFFFAOYSA-N 263.450 4.553 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC[C@H]1NCC 2259062912 XANXZJLIJUBQPT-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H](CC(C)(C)C)OC 2259137421 YDMXNIOUWAOVOL-GOEBONIOSA-N 256.430 4.613 30 10 CJEE CCCCCCCCCCN[C@H]1CCC[C@@H]1CF 2260464308 KKEPSGFPAVZHSG-CVEARBPZSA-N 257.437 4.855 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc(Cl)ccc1Cl 2260931765 CFABPNQKZKHCGO-HNNXBMFYSA-N 283.198 4.611 30 10 CJEE N[C@H](C#CC1CCCCC1)c1c(Cl)cccc1Cl 2260980287 QNFYMMCCFCVBSL-CQSZACIVSA-N 282.214 4.577 30 10 CJEE C=CCCCCCCCCS[C@@H]1CNC(C)(C)C1 2261295636 LECFWNLUEPLTST-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE Cc1cc(Oc2c(F)cccc2C#N)c(C)cc1Cl 2265752067 YSLLWQRFNMJUBL-UHFFFAOYSA-N 275.710 4.760 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@H]2CC(F)(F)C23CCC3)CC1 2266267706 HOTLFJJUKJHMNO-OLZOCXBDSA-N 268.347 4.518 30 10 CJEE COc1ccc(Cl)c(CC2(C#N)CCCCCC2)c1 2268973903 CZGLPDPMOKGODJ-UHFFFAOYSA-N 277.795 4.755 30 10 CJEE C=CCCCOC(=O)c1cc2c(s1)CCCCCC2 2269615365 UUWOKYBYLCCSNI-UHFFFAOYSA-N 278.417 4.530 30 10 CJEE O=C1CCCCC=C1c1ccc(C(F)(F)F)cc1Cl 2269719750 ZGHVUAZYPOIPLM-UHFFFAOYSA-N 288.696 4.885 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)[C@H]1C[C@@H]2C[C@@H]2C1 2270197227 DROBUQWKVYHLIW-RCJHGTSTSA-N 285.497 4.972 30 10 CJEE C=CCCCSCC[C@@H](NCCC)c1ccccc1 2271495111 LAWHCXDVPLVGMU-QGZVFWFLSA-N 277.477 4.817 30 10 CJEE C=C(C)CCCCN1CCS[C@@H](c2ccccc2)C1 2271759190 SKIRFTQNIXADOZ-QGZVFWFLSA-N 275.461 4.523 30 10 CJEE C=C(C)CCCC[C@@H](NN)[C@@H]1CCCC(C)(C)CC1 2271778841 SSSYCHPINBXMAY-HZPDHXFCSA-N 266.473 4.561 30 10 CJEE CCSc1ccc(C(=O)C#CC2CCCCC2)cc1 2273899203 DOBGEQVSUOTFOV-UHFFFAOYSA-N 272.413 4.565 30 10 CJEE O=C(C#CC1CCCCC1)Cc1ccc(Cl)cc1Cl 2273900591 QKHBDLZYSUWICS-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1c(Cl)cccc1Cl 2274133726 XVGSXDUBZOIFHC-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@H](CO)CCCC 2278236738 GOZNHSMAZKXHKU-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE Cc1cc(N[C@H]2CCCCCC2(C)C)cc(C)c1C#N 2280569294 VYWRAWMZUHOQSE-KRWDZBQOSA-N 270.420 4.946 30 10 CJEE CCCN[C@H](C#C[Si](C)(C)C)c1ccc(CCC)cc1 2283361549 WEKNZQNDGMBPEY-GOSISDBHSA-N 287.523 4.561 30 10 CJEE CC(C)CNC[C@@H]1CCC[C@@H]1CC=CC#CC(C)(C)C 2284083540 HUAXYEKAFFNULE-ROUUACIJSA-N 275.480 4.644 30 10 CJEE C=CCCCCCC[C@H](N)c1c(C)cc(OC)cc1C 2286461121 GNDKCBRGSPMDCW-KRWDZBQOSA-N 275.436 4.838 30 10 CJEE C=CCCCCCCCS[C@H](c1cccnc1)[C@H](C)N 2287091232 VMPSWHRVFXGOPN-RDJZCZTQSA-N 292.492 4.730 30 10 CJEE C=C(C)CCCC[C@@]1(N)CC(C)(C)Oc2ccccc21 2287399409 ICUNPOQQRSATPT-GOSISDBHSA-N 273.420 4.538 30 10 CJEE C=C(C)CCCC[C@@H](N)c1c(F)c(F)c(F)c(F)c1F 2287412559 DVOYEDYOHXTJGG-MRVPVSSYSA-N 293.279 4.518 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@](C)(C(C)C)CS1 2287983661 UZEKYIPCHRWPDM-WBVHZDCISA-N 298.540 4.946 30 10 CJEE N#C[C@]1(C[C@]23CCC[C@H]2CC3)CCc2ccccc2C1 2289131458 HBXHIDYGOCOOTE-IPMKNSEASA-N 265.400 4.656 30 10 CJEE CCN[C@@H]1C[C@H](CC#CC2CCCC2)CC2(CCC2)C1 2289876380 VUBQGVRCBKARBZ-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)C(C)=C(C)C 2291670711 ZNLRFYDASFOFDT-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@H](CC(C)(C)CC)OCCC(=O)O 2291763106 PZGIVCNTKAXEJL-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@](C)(CCCCC)OCCC(=O)O 2292701705 MCECAVKJBIDWAW-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=C(CC)C[C@@]1(OCCCN)CCC[C@H](C(C)C)CC1 2293061169 JLBRUVNEYVVVNV-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=C([C@H](OCCN)C(C)(C)C1CCCCC1)C(C)(C)C 2293926448 DHBUTYDYHQFTNI-INIZCTEOSA-N 281.484 4.539 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 2294842482 CEXABXZKCPBRCA-GMTUCVLRSA-N 275.480 4.639 30 10 CJEE N#C[C@@]1(c2ccc3cccc(Cl)c3n2)CCCC12CC2 2294975676 AVHCBXJCQDDDPZ-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@H](C)NCC12CC(C1)[C@H](C)O2 2295674888 WIELIFCASQZOFH-VYMRPNJYSA-N 281.484 4.673 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)cc1F 2304043604 LICKPWRSWBENAF-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE C=CCC(CC=C)[C@H](O)c1c(F)ccc(C)c1Cl 2316751352 COYNQCSKKXOYQM-HNNXBMFYSA-N 268.759 4.589 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@H]1CCC[C@H](CC)C1 2321108625 RHQOMHIFAKDTGH-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE CCC[C@H](CC)COc1cc(Cl)c(C#N)cc1F 2328309256 QMJNBKRTBOTTLU-JTQLQIEISA-N 269.747 4.556 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1C 2335045832 UIVWOTDJSWIIFR-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](NC)CC2(CCC2)C1 2335099315 VGRKRKBZSDIQMG-GDBMZVCRSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1C[C@@H]1C1CCCCCC1 2338669028 ZJJDKVZKYAXXSP-IAGOWNOFSA-N 260.421 4.930 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338685601 CBYZJCYWFPIULE-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccccc1CCC 2338741536 OKTQMCDGNCMPCJ-GOSISDBHSA-N 257.421 4.668 30 10 CJEE C#CCCCCC[C@H](CCC1=CCCCC1)NCC 2340216126 IMOYHDKNEKWTIX-GOSISDBHSA-N 261.453 4.829 30 10 CJEE C=C(C)C[C@H](CC1CCC(C(F)(F)F)CC1)NCC 2341930664 VCDBZTJSTOKSDA-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@@H]2C2CC2)CCCC(F)(F)C1 2342538148 ORXGMOPCZSSFKP-KFWWJZLASA-N 270.363 4.597 30 10 CJEE CC1(C)CN(CC2(CS)CCCCCC2)C(C)(C)C1 2343652153 YWPLELFWDQWKSS-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CC[C@@H](OCCCCS)c1ccc(C(F)(F)F)cc1 2343730233 SWVZYKSWTOWYOQ-CYBMUJFWSA-N 292.366 4.883 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CC2CCC1CC2)NC 2344368410 DEZSWELFLZENDE-YOHUBWIESA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCO[C@H]1CNC[C@@H]1CC 2344731911 DHLLIMBRRDZZPH-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC[C@@H](C(C)C)CC1 2352014357 OXHGDZONGRTRKI-SQWLQELKSA-N 284.465 4.744 30 10 CJEE O=CC1(CC2CCC(CC(F)(F)F)CC2)CC=CC1 2353162205 BSMWZVSCFBDKAY-UHFFFAOYSA-N 274.326 4.671 30 10 CJEE CCCCCCCC(=O)CC1CC2(C1)CC(OC)C2 2353666758 DOTFYNDLUYXRDM-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CC#CCCC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2357335741 QOGZUXBXMXQPRL-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1[C@H]2CN[C@@H]1C2 2358070318 ZBQKHPONSYWOJR-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1OC[C@@H]2CCC[C@H]12 2358477426 MSUBSAIHAKBGSZ-BQFCYCMXSA-N 278.436 4.677 30 10 CJEE C=CCC(CC=C)Sc1ncccc1[C@@H](C)NCCC 2360368882 RDQRMVNGKZTAHN-CQSZACIVSA-N 290.476 4.755 30 10 CJEE Oc1c(F)cccc1/C=N/c1ccc(Cl)c(Cl)c1 225143 JUDLVLLYHBNSRR-REZTVBANSA-N 284.117 4.589 30 10 CJEE CCCCN/C(=C\C(=O)C[C@H](C)CC(C)(C)C)C(C)C 13217965 NOUZNJOTHDDUNG-ZKMNFCBKSA-N 281.484 4.948 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(CC#N)cc2)cc1C 37071182 CPMAGTUOXYHOTF-MRXNPFEDSA-N 278.399 4.851 30 10 CJEE CCc1ccc([C@H](C#N)Nc2ccccc2Cl)s1 51719783 PKEHCWULXAHFJS-ZDUSSCGKSA-N 276.792 4.641 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1CNCC 59178787 RTHMTPNKGLUQQT-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(Cl)cc1 59276916 YZXOLZGQKFKKMB-OAHLLOKOSA-N 253.817 4.961 30 10 CJEE CC(=O)O/N=C(\CCc1ccccc1)C1(C)CCCCC1 59501956 OBSGNMNPJYUHTC-HTXNQAPBSA-N 287.403 4.509 30 10 CJEE CCCCCCCCOCC(=O)c1cc(C)sc1C 59526276 XZZBKTNXCWSSNW-UHFFFAOYSA-N 282.449 4.925 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 69234506 JWZXVDGOBHEYKA-LLVKDONJSA-N 284.325 4.814 30 10 CJEE C=CCCC[C@@H](Cc1cccc(Cl)c1)NCCC 71276546 JFBGOHJWEFDBQE-INIZCTEOSA-N 265.828 4.607 30 10 CJEE CCCC[C@@H](CC)COc1nc2ccccc2cc1C#N 71390579 UCKJJBXDRBCKNM-CQSZACIVSA-N 282.387 4.702 30 10 CJEE CCN[C@H](C)c1ccc(SCc2ccc(C#N)cc2)cc1 79580598 PFTATBALLUNCHR-CQSZACIVSA-N 296.439 4.521 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1Cl 81627663 CYVMBUZLSKPZSD-TZMCWYRMSA-N 274.795 4.592 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)cc1 81630345 BLLYJCBHDFWXPM-CRAIPNDOSA-N 282.431 4.868 30 10 CJEE CC(C)[C@H](CS)CSc1ccccc1Cl 87096468 HGYUXVVNOMWWBR-SNVBAGLBSA-N 260.855 4.634 30 10 CJEE C=CCCC[C@@H](CSc1ccccc1)NCCC 87162801 IKPRIRFGIPKLPT-HNNXBMFYSA-N 263.450 4.503 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C#N)COc2ccccc2C1 87997492 MDMNRVGLMCHWIL-CRAIPNDOSA-N 271.404 4.738 30 10 CJEE C[C@@H]1CC[C@@](O)(C2(C#N)CCC(C(C)(C)C)CC2)[C@H](C)C1 91887356 VEJGEQRCUUDOAL-RHDJWLFDSA-N 291.479 4.920 30 10 CJEE CCCN(CC(F)(F)F)CC1(CS)CCCCCC1 94580070 AYQAMPADWOGDAF-UHFFFAOYSA-N 297.430 4.531 30 10 CJEE CCCC(CS)(CCC)COc1cc(F)ccc1F 94585269 MSCSBGQWINHCHD-UHFFFAOYSA-N 288.403 4.860 30 10 CJEE CCCCCCCCC[C@@]1(CN)C[C@H]2CC[C@@H]1C2 103996320 OWQABADMGMIJOR-BBWFWOEESA-N 251.458 4.892 30 10 CJEE C#CC[C@H](CCC)c1ccc(C)c(Br)c1 107497115 FLWITZQLPNGWRL-GFCCVEGCSA-N 265.194 4.665 30 10 CJEE C#CC[C@@H](C)c1cc(C(C)(C)C)ccc1OCCC 107601963 WVNQSMKYNDLXGI-CQSZACIVSA-N 258.405 4.900 30 10 CJEE Cc1cccc(CC[C@@H](C)Nc2ccc(Cl)c(C#N)c2)c1 109807062 VBTPIZYZQFALPQ-CQSZACIVSA-N 298.817 4.953 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)Cc1cccc(C)c1 110017333 HLYFBKKNOPIBTD-LJQANCHMSA-N 290.495 4.505 30 10 CJEE C=CCSc1ccccc1NCc1cccc(F)c1F 111038718 FRALZDHRDHOWAW-UHFFFAOYSA-N 291.366 4.855 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(F)cc1F 112899722 ATAOFEFMJZMXIO-OAHLLOKOSA-N 255.352 4.715 30 10 CJEE CCCCCCCCCCN1C[C@@H](C2CC2)NC[C@@H]1CC 114072196 IRTQEIVNXMXESO-OALUTQOASA-N 294.527 4.590 30 10 CJEE Clc1cccnc1N=C(c1ccccc1)c1ccccc1 114421716 ZAYIEAYTDSSIAG-UHFFFAOYSA-N 292.769 4.904 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(CCOC)cc1 115855897 VZEDJBUAXWZFEZ-SFHVURJKSA-N 277.452 4.626 30 10 CJEE CCC[C@H](Nc1c(F)cc(C#N)cc1F)c1cccs1 126976488 QQAULNWXNATTPZ-ZDUSSCGKSA-N 292.354 4.851 30 10 CJEE CCCCCCCCNc1cccc(OCC)c1[N+](=O)[O-] 134928701 OEKUMUXGNXALJK-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CC[C@@H]1CC[C@H](Nc2cccc(SC)c2C#N)[C@@H]1C 136672872 HTMVRRPEORDTJG-BZPMIXESSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCC[C@@H](N)c1snnc1CC 143406602 BWVAQOSDFGTXSC-CYBMUJFWSA-N 283.485 4.631 30 10 CJEE C=CCC[C@@H]1C[C@H](CCC)CC[C@H]1CNCCC 156136359 DTHNAUYWXUXRMG-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@@H]1C 157932945 AQTKWUDVWOWZPN-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCCS1 158009954 YTGYIIKHQFSRLL-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC(=O)CCc1cccc(N)c1 158044383 GYTJKLYGWGSHEN-UHFFFAOYSA-N 275.436 4.911 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H](OCC)[C@@]1(C)CC 160798333 RBRNVFJOLRHBHH-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](O)C1(OC)CCCCC1 162066869 RFFRWOVTEHSXEZ-INIZCTEOSA-N 270.457 4.837 30 10 CJEE Cc1ccc2c(ccn2Cc2ccc(C#N)cc2Cl)c1 163799793 KAEIHPPPXNEUNY-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCc1ccccc1Nc1ccc(C(F)(F)F)c(C#N)c1 164396359 ALULKWXPZAAMAH-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(C(F)(F)F)c(C#N)c2)C1 164432545 DEHOQGWVZRLRKP-AAEUAGOBSA-N 296.336 4.592 30 10 CJEE C[C@H]1CC=CC[C@@H]1COc1ccc(C(F)(F)F)c(C#N)c1 164498941 QYSMQNLASACXOL-NWDGAFQWSA-N 295.304 4.558 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cncc2ccccc12 165035068 GGPVOIHYGHZVDV-KRWDZBQOSA-N 293.757 4.565 30 10 CJEE CSc1cccc(N[C@H](C)c2ccccc2F)c1C#N 167584312 YYRLJSHWBJVCOF-LLVKDONJSA-N 286.375 4.592 30 10 CJEE C=CCCC[C@H](NCCC)c1cc2c(s1)CCSC2 167728314 DTPGUNDUXAKAJS-AWEZNQCLSA-N 295.517 4.934 30 10 CJEE S=C(N=C1S[C@@H]2CCCC[C@H]2S1)c1ccccc1 196352658 NFSLMXIUUVSVKO-VXGBXAGGSA-N 293.482 4.509 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)C2CCCCC2)C1 222185700 MKZBDMSEVSZSIB-NUJGCVRESA-N 276.468 4.750 30 10 CJEE CCCC[C@H](CCC)Nc1ccc(Cl)cc1C#N 226031666 DMTJACROFWGJFJ-AWEZNQCLSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCC(=O)c1ccccc1CCN 226442901 OPWFGIJUBVHADW-UHFFFAOYSA-N 275.436 4.511 30 10 CJEE CCCCCCCC(=O)CC[C@@H](CCN)C(C)(C)C 226455603 JQTQRZICVZDEGI-HNNXBMFYSA-N 269.473 4.707 30 10 CJEE C=C(C)C[C@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)C 227531633 DYHYJSCLLMRMMO-ULQDDVLXSA-N 251.458 4.639 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 228421944 PVHASQBBHYUUCQ-VIFPVBQESA-N 286.268 4.774 30 10 CJEE CCCCCCCCC[C@@H](CC(C)(C)OC)NCC 230965394 FTMPWSVKKMGZIG-INIZCTEOSA-N 271.489 4.920 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCC[C@H](C(C)C)C1 230990543 FOZUGKDIBYYMCF-GJZGRUSLSA-N 274.383 4.633 30 10 CJEE C=CCSCCN[C@H](CC(C)(C)C)c1ccccc1 231931036 SWEZYBWAHJGSNJ-MRXNPFEDSA-N 277.477 4.673 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCO[C@H]1CC 232916940 PJPTZHZJNMPVJF-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](O)C1CCCCC1 232950258 IAGJLWDFOLNGNY-QZTJIDSGSA-N 284.484 4.819 30 10 CJEE C=CCCCCC[C@H](O)CSc1ccccc1C 235791492 CLXSVXOHADUNFA-HNNXBMFYSA-N 264.434 4.585 30 10 CJEE Cc1ccc(Nc2cc(Cl)ccc2Cl)c(C#N)c1 235907403 UWXMHNRYXIDOHY-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc(F)cc1Cl 236226760 OBTWWJHFNUTUIW-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=CCCCCC[C@@H](N)Cc1ccc2ccccc2c1 236315032 ZKMODOAEQHKEQK-LJQANCHMSA-N 267.416 4.846 30 10 CJEE CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1 252462892 XDZQSTONOMEUCL-UHFFFAOYSA-N 296.414 4.606 30 10 CJEE CCCCCCCCN[C@@H]1C[C@@H](OCC)[C@]1(C)CC 252705703 RBRNVFJOLRHBHH-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CC(C)(C#N)C[C@@H]1CSc2cccc(C(F)(F)F)c21 260000274 ABUPORNSRHWVMU-SECBINFHSA-N 285.334 4.835 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@@H]1CCCC(F)(F)C1 311137392 BEUXHPYDGKWDMY-LSDHHAIUSA-N 273.411 4.640 30 10 CJEE C=CCCCCCCN[C@@H](C)c1c(C)cc(C)nc1C 312401898 HRZYALPRZRHYFN-INIZCTEOSA-N 274.452 4.794 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CCCc3ccccc32)CC1 317280710 RBXIORFIMGUTEM-RMXPPQQLSA-N 270.416 4.892 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)CCCS1 318864559 GHKRHXBAVWWGIW-INIZCTEOSA-N 269.498 4.755 30 10 CJEE C=CCC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 385815762 LWMQQSYBNWMKPJ-NSHDSACASA-N 298.226 4.724 30 10 CJEE C=CCCCCCCN[C@H](c1ccccc1)C1CC1 388517398 QVWFKPLIMTUBRL-GOSISDBHSA-N 257.421 4.864 30 10 CJEE CC(C)(C)C#CCNc1cccc(OCc2ccccc2)c1 390757718 XLJFKDAWWKZUHT-UHFFFAOYSA-N 293.410 4.727 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cc(Cl)ccc1Cl 393807368 PZPNZQWCMUKOMX-PWSUYJOCSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)S2 403711732 WCSXJWADSYAHFT-WZYMTQMTSA-N 269.498 4.752 30 10 CJEE CCOc1cc(N[C@@H](C)c2ccc(C#N)cc2F)ccc1C 611589982 YBASVDZGJVWVCL-ZDUSSCGKSA-N 298.361 4.578 30 10 CJEE CCCC1([C@H](C#N)Nc2ccccc2Cl)CCC1 686134402 SNOUDLQWJCTLPJ-AWEZNQCLSA-N 262.784 4.614 30 10 CJEE C#CCCCCC[C@H]1CCCCC[C@@H]1CNC1CC1 686691823 UWHJPJWLIRYXOE-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC(C)[C@H](/N=C1/NC2(CCCCC2)CCS1)C1CCC1 687318569 PYUGTPHRLCAEDS-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)CC2CCCCC2)cc1 689710751 HGHSODJMCLECDH-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CN(Cc1c(Cl)cccc1Cl)C1(C#N)CCCCC1 690469760 KFNFHKSSZIVXBB-UHFFFAOYSA-N 297.229 4.652 30 10 CJEE CC[C@H]1CCCCC[C@@]1(C#N)NC1CCCCCC1 691077637 PEVGMTJYRBIFSG-RDJZCZTQSA-N 262.441 4.551 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3CCC[C@@H]4C[C@H]43)n2)cc1 691653015 QQKLZFJBLCROSX-RBSFLKMASA-N 280.396 4.585 30 10 CJEE CCCCCCCCCCNCc1nc(C)sc1C 692536036 NAONSRZMIQOCJM-UHFFFAOYSA-N 282.497 4.990 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC(C)(C)C(C)(F)F)C1 697083681 XIEXMTVMNSOXSX-IUODEOHRSA-N 260.368 4.843 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(C)(C)C(F)F 698499435 CXLGOJWXMXRCTL-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(C(F)F)cc1 701205973 NHNRXJRJKVJJAE-OAHLLOKOSA-N 284.394 4.879 30 10 CJEE CSc1ccc(CNc2ccc(Cl)cc2C#N)cc1 702413680 NDAOITUUPKQFBY-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCCCCCCNc1cc(Cl)nc(C(C)C)n1 703779852 KFKIVTPMQLUWOA-UHFFFAOYSA-N 269.820 4.636 30 10 CJEE CC1(C)CCC(C=O)(CC2(c3ccccc3)CC2)CC1 704045862 ZPLIFPVZYKUXLY-UHFFFAOYSA-N 270.416 4.894 30 10 CJEE C[C@@H](COc1cc(Cl)ccc1C#N)CC(C)(C)C 709233298 FJMJZMQMSQJJGJ-LLVKDONJSA-N 265.784 4.663 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1cccc(F)c1Cl 709703825 UEQKVWAJAJVQJD-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C[C@H](CC(C)(C)C#N)n1ccc2c(Cl)cccc21 710009686 OBCOZISJCMCGIW-LLVKDONJSA-N 260.768 4.796 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CC(C)(C)OC2(C)C)CC1 711335077 HQGLLOWIUIBXGP-SWKXRBFHSA-N 280.452 4.756 30 10 CJEE C[C@H](/N=C1/NC2(CCCCCCC2)CS1)[C@H]1CC1(C)C 713187660 LKNDZFGMNMEHOC-UONOGXRCSA-N 294.508 4.597 30 10 CJEE CC1CCC(C=O)(C[C@@H](C)COCc2ccccc2)CC1 719578429 DSKRNMRZVQSXRO-TVRKMHQQSA-N 288.431 4.625 30 10 CJEE CCCCCCC[C@H](Cc1scnc1Cl)NCC 722021325 SFDLGLWDBLDFPL-GFCCVEGCSA-N 288.888 4.678 30 10 CJEE C=CCN(c1ccc(CNCCC)cc1Cl)C(C)(C)C 723193782 BMIBUIWUKGTSQR-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C(CC)CSc1nccn1-c1cc(C)cc(C)c1 1188374119 FSQAOZOPISACPU-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CC[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 1188555906 BILLEESJDWZSSZ-GFCCVEGCSA-N 296.395 4.947 30 10 CJEE CCCCCCCCCN1CCCC(F)(F)CC1 1196165494 DMEHTKQRVUFWID-UHFFFAOYSA-N 261.400 4.858 30 10 CJEE C#C[C@H](NCC1CCC(C(C)C)CC1)c1ccc(F)cc1 1205974133 MFGVVGAMCBEKQN-RJYAGPCLSA-N 287.422 4.552 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@@H]1c1ccccc1 1207075275 CLHOGYRTHUCQTF-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C=C(C)CCN[C@H](C)c1cc(Cl)ccc1OC(F)F 1307616287 FEOADBSOSIUMBO-SNVBAGLBSA-N 289.753 4.558 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)CCc1ccc(O)cc1 1308712896 DURRJWFXWAZGOE-INIZCTEOSA-N 295.426 4.944 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H](C)CC[C@H]1C 1308806143 NHGDLFSIIFZKNC-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE 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2280563899 ZGVLRHMQXZDUDS-PBHICJAKSA-N 270.420 4.802 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CC1=CCCCC1)NC 2281257804 GQVUKJLWOOVYIY-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE CCCC#CC[C@@H](NCCC)c1cccc(Cl)c1OC 2283157161 QRAKJHSAEBTEMO-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](C(=O)O)c1ccccc1Cl 2284169769 DPCDAXYJVRPFHL-CQSZACIVSA-N 290.790 4.504 30 10 CJEE COc1cc(C)c(C(=O)C2=CCCCCCC2)c(C)c1 2286475394 VHVLVLLSFXEVCH-UHFFFAOYSA-N 272.388 4.775 30 10 CJEE C=CCCCCCCCSc1ccc(CO)cc1C#N 2287184321 ZEPQTNXRVTYLSD-UHFFFAOYSA-N 289.444 4.669 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C[C@H](C)C(F)(F)F 2289866936 NTWGYLGBAKXYCM-DZGCQCFKSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@](C)(C=C(C)C)OCCC(=O)O 2290425428 GSQASXVPARLZSE-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE CCCCCCCCC[C@]1(OCC(=O)O)C[C@H](C)[C@@H]1C 2290566300 QIFLYABDZLARMP-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@]1(OCCC(=O)O)CCC[C@H]1C 2291282442 BBKFTQVKKCJNKC-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCC(=O)O)C(CC)(CC)CC 2292317995 HLACIPDQTUOXML-ZBFHGGJFSA-N 284.440 4.665 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC=C1CC 2293411744 VWCKBEPUCOUFFK-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=C(C)CCCC[C@@](CCC(C)C)(OCCN)C1CC1 2293881187 GSQYQCRFBDSUQG-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@](CC)(CCC(C)C)OCCN)CC1 2294100638 AZFYSGDJQLFDLR-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC(=O)C=Cc1ccc(OC)cc1 2295149715 CQABVHABRJTBIS-UHFFFAOYSA-N 260.377 4.638 30 10 CJEE CC(C)[C@@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)CC1 2295234026 HKPAXMANBJWFPO-QAPCUYQASA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1ncc(C)s1 2295595990 GGTJBKLJCCGPPY-INIZCTEOSA-N 297.464 4.526 30 10 CJEE C=C(C)CC[C@@H](NC)[C@](C)(O)CCCCCCCCC 2295684465 MKMMKGQJNGAKIF-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(CCC)NC(C)C 2295710780 JNFIXRZAQSJLNG-IAGOWNOFSA-N 298.540 4.996 30 10 CJEE CSc1ccc(C(=O)C=Cc2cccc(Cl)c2)cc1 2297466674 VCRBUFLEZZCUGO-UHFFFAOYSA-N 288.799 4.958 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cccc(Br)c1C 2304035016 IHICGCDJAHIXOQ-CQSZACIVSA-N 296.252 4.620 30 10 CJEE CCCC[C@@](C)(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2309170353 VHYCSFCUQLXJOB-XJFOESAGSA-N 255.352 4.778 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@](C)(CC)C(F)F 2315009187 SMRBWTNABCKFGF-HIFRSBDPSA-N 261.400 4.782 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(CC)s1 2315463465 RHHXZIBZDPPHEV-NFAWXSAZSA-N 263.450 4.706 30 10 CJEE SCCCCCCOC[C@H]1C[C@H]2CCC[C@H]1CC2 2316870335 PWKYTILQKZCYDX-HRCADAONSA-N 270.482 4.710 30 10 CJEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2318619479 LCBTZKQPSMTWMM-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE CCCCCCCCCC[C@H](F)[C@H]1CCC[C@H]1N 2318800251 KIGCZXXEXMBVGV-OWCLPIDISA-N 257.437 4.983 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H](C)C1CCC1)NCC 2321102700 SUQKDMZUMOJLSE-UAGQMJEPSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1CCCC(F)(F)C1 2321118522 UXRYPPPXQDEFHH-GXTWGEPZSA-N 258.352 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C)c(F)c1Cl 2321222999 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KDNSLHQNRLSYLQ-HOCLYGCPSA-N 273.411 4.620 30 10 CJEE CCCCCCCNCc1cc(F)ccc1C(F)F 2338022935 ARMDRGUBCYELNL-UHFFFAOYSA-N 273.342 4.823 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1CCC2(CC2)C1 2338734454 ZMRFGVWLZSFPMW-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)C)CC[C@H]1C(=O)O 2338746794 JXKIVASQZPYCAH-OAGGEKHMSA-N 264.409 4.528 30 10 CJEE C=CCCCCCC[C@@H](N)c1ncccc1C(C)C 2340237758 AXLFNJXDBUBGAR-MRXNPFEDSA-N 260.425 4.731 30 10 CJEE C#CC[C@@H](C)C[C@H](CCC1=CCCCC1)NCCC 2340295373 DNTHBBUYYXJKJN-AEFFLSMTSA-N 261.453 4.685 30 10 CJEE CO[C@H](CSCCCCCCCS)c1ccccc1 2343479687 MUCMQWIPJUKJAO-MRXNPFEDSA-N 298.517 4.988 30 10 CJEE C=CC1(CNC[C@@H]2CCC(C)=C(C)C2)CCCCC1 2343481822 FYEUYYBPNLSDHJ-QGZVFWFLSA-N 261.453 4.849 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21 2344337969 VVWKHGQHKPBZJR-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@]12CCC[C@@H]1CC2)NCC 2344337976 VWVMIYGNVIRYRO-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc2cc(C)ccc2o1 2344339425 JDKFXTRPCUCOFS-MRXNPFEDSA-N 257.377 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCc1ccccc1)NC 2344339886 MUTFOOUXAJMTTG-QZTJIDSGSA-N 259.437 4.590 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1cccc(C(C)C)c1)NCC 2344344439 IRZDURSNHHXYAY-QAPCUYQASA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC=Cc1ccccc1)NC 2344348837 NZXCNBSWADRJJP-MSOLQXFVSA-N 257.421 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(F)ccc(C)c1F 2344349839 WPARZXICNOGAAA-JKSUJKDBSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@@H](CC1C2(CC2)C12CC2)NCCC 2344357237 QFFVMGXLVSGNMB-OAHLLOKOSA-N 261.453 4.537 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCCC 2344371892 NUCZYERIJBFGGQ-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cccc(Cl)c1C(F)(F)F 2344463248 DSBSYMMEUQQECE-GFCCVEGCSA-N 292.728 4.995 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(C(F)F)c1F 2344463834 GYDZNUONEGYJMS-ZFWWWQNUSA-N 272.310 4.789 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCCCC2(C)C)C1 2360306971 KRMMALNAIZZLQQ-IXDOHACOSA-N 276.468 4.750 30 10 CJEE CC[C@@](C#N)(c1ccccc1)[C@@](C#N)(CC)c1ccccc1 32188816 SUWALKZMGIKCPS-WOJBJXKFSA-N 288.394 4.730 30 10 CJEE CCc1ccc([C@H](CC)Nc2ccc(CC#N)cc2)cc1 37071225 XWZZYKOTUMEEOZ-IBGZPJMESA-N 278.399 4.878 30 10 CJEE CC[C@@H](C)CN(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37173108 YZZBKYXCBGHFCK-QBPKDAKJSA-N 278.484 4.709 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 37935854 UKUYAGSXHUWTKL-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE COc1ccc(NC2(C#N)CCC(C(C)(C)C)CC2)cc1 37936532 JHCKLBKHIDAMJM-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE Cc1cc([C@H](C#N)Nc2ccc(Cl)cc2)c(C)s1 49687515 ICESQPSJUJJQAU-AWEZNQCLSA-N 276.792 4.695 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCSc2c(F)cccc21 50429954 MLOJWOJDGYRTOT-HNNXBMFYSA-N 298.386 4.655 30 10 CJEE Cc1ccc([C@H](C#N)Cc2cccc3ccccc23)cc1 57739005 WXOYLMIXPKKKMU-IBGZPJMESA-N 271.363 4.998 30 10 CJEE CCCCCCCOC[C@@H](N)C12CC3CC(CC(C3)C1)C2 59083357 JLWUFYKUKPQMGZ-GSBYPIHSSA-N 293.495 4.517 30 10 CJEE CCCCCCCCCN(CC)Cc1ccc(N)cc1 59266892 AOKHZLJRWKNNOG-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CCCCCCCNc1ccc(F)cc1OCC 59462146 JOMYAGOMTRLAGQ-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE C=CCCC[C@H](NC)C(CC)(CC)c1ccccc1 71277475 FQJNJRLUQFCKND-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE Cc1ccc(C)c(-c2cc(CC#N)c(C3CC3)o2)c1 77082964 ITZMJGZPDZTDHW-UHFFFAOYSA-N 251.329 4.507 30 10 CJEE COc1ccc(C(C)C)cc1-c1cc(C#N)c(C2CC2)o1 77083983 UUWHBTVQWGNMAV-UHFFFAOYSA-N 281.355 4.828 30 10 CJEE C=CCCCn1cc(CCCNCCC)c2ccccc21 80067698 OHGUGOYBIPXXRQ-UHFFFAOYSA-N 284.447 4.540 30 10 CJEE CCN(CC(CC)(CC)CS)c1ccccc1C 94578689 ZVCZYDPNSOBVGE-UHFFFAOYSA-N 265.466 4.558 30 10 CJEE O=C1/C(=C\c2ccc(F)c(F)c2)CC[C@@H]1C1CCCC1 104376975 GZBRLWSLLKQDIT-RNQWEJQRSA-N 276.326 4.518 30 10 CJEE CCCCCCCn1cc(CCCO)c2cccc(C)c21 107046918 CPZJQOLZWGGPEN-UHFFFAOYSA-N 287.447 4.845 30 10 CJEE CCCCCCCCOCc1csc(CNC(C)C)n1 107346342 FYSJBMRZYVHOLU-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE CCCCCCCCC(=O)Cc1cccc(F)c1 109709513 XPQRPZOUWQQZNN-UHFFFAOYSA-N 250.357 4.688 30 10 CJEE CCCCCCCCCCOC(=O)c1cccc(N)c1C 109895512 NBBHHWFZTBDLCR-UHFFFAOYSA-N 291.435 4.875 30 10 CJEE CSc1cccc(Nc2ccc(Cl)cc2C#N)c1 110250784 YIVRBLINLRNSHY-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE Cc1cc(C)cc(Oc2ccc(C#N)cc2Cl)c1 110260976 XOUINTVWQWHESZ-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCC[C@H](CN)Cc1cccc(C)c1 110449136 QGNGZCLSSCQOSC-SFHVURJKSA-N 261.453 4.863 30 10 CJEE CCCCCCCCCCCCN(CCN)C(C)C 111236032 NRRDTTYHRKEPKQ-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CCCCCCCCCCN1C[C@H](N)Cc2ccccc21 112211451 CNWYWTPUQCNBES-GOSISDBHSA-N 288.479 4.517 30 10 CJEE CCCCCCCCC[C@@H](O)[C@](C)(CC)N1CCCC1 118159198 IUYADOLCRCPMPW-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cc(F)ccc2s1 122302959 NPMYAIJBJHJOSO-AWEZNQCLSA-N 294.439 4.905 30 10 CJEE CCCCCCCCCCn1ccc(C)c1C(=O)O 122541192 PMRIXSXGJJJRGV-UHFFFAOYSA-N 265.397 4.635 30 10 CJEE CCCCCCC[C@H](NN)C(CC)(CC)c1ccccc1 126199187 BMKOYENXBLHRGN-SFHVURJKSA-N 290.495 4.937 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1C 126894545 AXWKMFLQUSCIDR-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCNC[C@H](O)c1ccccc1F 129367251 SBQXZOOULHWZCX-SFHVURJKSA-N 295.442 4.589 30 10 CJEE Cc1cc(Nc2cccc(Cl)c2Cl)ccc1C#N 133350258 KSEGIDNADCUOAM-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCC[C@H](NCC)c1snnc1CCC 140299933 UNCZTTHVBCHGCB-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCNc2ccccc21 159696019 VLJVCLWJYQZIKX-OAHLLOKOSA-N 259.393 4.515 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1CCCCO1 162340417 KWQJDUYGDSPIOD-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](O)(CC)c1ccc(F)cn1 162453917 GXFBXIJIGDEDFP-MRXNPFEDSA-N 267.388 4.569 30 10 CJEE CCCCCCCCCOc1c(F)cccc1C[C@H](C)N 166292946 ZCMBWZZMUDPSFP-HNNXBMFYSA-N 295.442 4.845 30 10 CJEE C=C(C)C[C@H](NCCC)C1(OCC)CCC(C)(C)CC1 166721969 PVTCMBUNPWHIHS-INIZCTEOSA-N 281.484 4.696 30 10 CJEE CCCCCCCCNC(=O)c1ccccc1OCCC 205132551 ALGNVZMDMNXBCZ-UHFFFAOYSA-N 291.435 4.566 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2c(s1)CCSC2 229738842 XMCUZUOOWZRQKI-ZDUSSCGKSA-N 281.490 4.544 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1C(=O)O 232711767 GQGABRSMXDTEAO-OAGGEKHMSA-N 266.425 4.896 30 10 CJEE C[C@@H](C#N)Cc1csc2c(C(F)(F)F)cccc12 260048764 CFYVSSALVYMEHI-MRVPVSSYSA-N 269.291 4.622 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCCC(F)(F)C1 305946602 MNRJVPKVBDFRLU-CABCVRRESA-N 290.442 4.785 30 10 CJEE Cc1cc(Sc2ccc(Cl)cc2Cl)cc(C#N)n1 308295669 AJSWXQCXRRNDAK-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1 310936522 JYLHHCSJSCRCDY-UHFFFAOYSA-N 271.744 4.597 30 10 CJEE CC(C)(C)C#CC[C@H](O)c1cc2ccc(F)cc2s1 311359580 ZYANNMZZXLPUND-ZDUSSCGKSA-N 276.376 4.513 30 10 CJEE C=CCCCCNCc1ccc(-c2ccccc2)s1 311622640 MKUFMBVVWQQXFK-UHFFFAOYSA-N 271.429 4.861 30 10 CJEE CCC[C@@H](Nc1cc(C#N)ccc1C)C1CCCC1 313454504 ZTHFYHUVGCCAMU-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCC1CCC([C@]2(C=O)CCC[C@H](CC)C2)CC1 316761003 CPUUSVBAFMCYBM-ODZFXCKXSA-N 250.426 4.988 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1 318018309 XRGRXYMUBJYOIW-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](NN)C(C)(C)C1CCC1 322647432 WYCJYQRHHRIQKM-INIZCTEOSA-N 268.489 4.785 30 10 CJEE C=CCN(c1ccc([C@@H](C)NC)c(Cl)c1)C1CCCC1 383787205 YTEUGCPUZQRBAK-CYBMUJFWSA-N 292.854 4.555 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCCOc1ccccc1 384888539 SRJLJHUAIJAKGU-DOTOQJQBSA-N 257.377 4.566 30 10 CJEE C=C(C)CCN[C@@H](c1ccco1)c1ccc(Cl)s1 386796162 AWRSEEKQHBVHQH-AWEZNQCLSA-N 281.808 4.640 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccc(C)s2)C1 387440771 SCHQJSVCZUHWAT-ZJIFWQFVSA-N 290.476 4.768 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc2ccccc2s1 388882599 HQCYJMNJENSBSY-CQSZACIVSA-N 271.429 4.601 30 10 CJEE CC1(C)CCC(C#N)([C@H]2C[C@@H]2c2ccccc2)CC1 394050389 ZTCGEWBORVEFMQ-CVEARBPZSA-N 253.389 4.900 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)c1ccccc1)NN 395018589 MEBSUYURLMAJIE-FUHWJXTLSA-N 276.468 4.763 30 10 CJEE CCCCCCCO[C@H](CNCC(C)C)C(C)(C)C 395621934 CBJICYZUJKNEKG-MRXNPFEDSA-N 271.489 4.634 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCCCC1)C1CCCCCC1 397354043 ZNJYZLFVYFPVBD-MAUKXSAKSA-N 276.468 4.655 30 10 CJEE C=C(C)CON[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 400925465 LIFHGDYIUKSCIZ-QMMMGPOBSA-N 294.609 4.805 30 10 CJEE CCCCCCCCCC[C@H](O)CC1(COC)CC1 401271736 ARSFNFSGDYNAPH-INIZCTEOSA-N 270.457 4.695 30 10 CJEE C#CCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 686677585 JNFMORYMHSRSML-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE C#CCCCCC[C@@H](CCCCCC)NCCC 686690035 OJTRDXGCHCJSHQ-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(F)ccc1C 686692695 JXQGIOCBPXASNS-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCCCCCCOCc1ccc(C)nc1Cl 688565477 LYDAKLXTRFSWCL-UHFFFAOYSA-N 255.789 4.530 30 10 CJEE C[C@@H](CCC1CC1)N(C)CC1(CS)CCCCCC1 691718868 YXKYPDQUQOOAMT-HNNXBMFYSA-N 283.525 4.767 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 692253357 RJHBNZJIARCNBW-YPMHNXCESA-N 294.782 4.795 30 10 CJEE CN([C@H]1CCC12CCCCC2)[C@@H]1CCCCC[C@H]1C#N 694287357 SKXVMQPEWMBAMR-BBWFWOEESA-N 274.452 4.504 30 10 CJEE CC(C)(C)C[C@@H]1CS/C(=N/[C@@H]2CCCC(C)(C)CC2)N1 697620453 FNBVBSZFOATJES-ZIAGYGMSSA-N 296.524 4.843 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1O 698741786 UXWMZUPSALOTAY-ZACQAIPSSA-N 270.457 4.551 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(C(F)F)c2F)CC1 701221453 ZNYPJTYZWNBXEX-SECBINFHSA-N 268.278 4.692 30 10 CJEE CCCCCCC[C@H](O)c1ccc2ccncc2c1 702667432 XOZGYPNEWYPKHD-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc2c(c1)CCC2 703770125 HFYFCBVHZPJBEG-HNNXBMFYSA-N 259.437 4.796 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(SC)cc1 710586315 XKCDGGCJLOSRPW-AWEZNQCLSA-N 269.841 4.592 30 10 CJEE C=C(Cl)CC1(CNC2CC2)CCC(C(C)C)CC1 710653284 CHOLOUFAQLGSGT-UHFFFAOYSA-N 269.860 4.714 30 10 CJEE CC1(C)C[C@H](CC2(C=O)CCCCCCC2)C(C)(C)O1 711336986 NFCQXQDXVXQZGU-OAHLLOKOSA-N 280.452 4.900 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 714258835 BIHBVEOSEKZQDF-DJIMGWMZSA-N 268.404 4.638 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)cc(Cl)c1 717917124 RQCKJBLZJXWQDI-UHFFFAOYSA-N 272.219 4.828 30 10 CJEE CCCCCCCCC[C@@]1(F)CC[C@H]2CCN[C@H]1C2 721829610 BNBYGAIZIBPWFY-YESZJQIVSA-N 269.448 4.997 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccoc2Cl)CC1 724550373 WBCYYQMYZNIUJC-AWEZNQCLSA-N 267.800 4.720 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC[C@H]2C)CC1 724554483 XTLUQADMECRNGD-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2O)CC1 724595856 WZCRPTDCVKXKFM-IXDOHACOSA-N 264.453 4.946 30 10 CJEE C=CC[C@H](N[C@H]1CC[C@H](C)c2ccsc21)c1ccncc1 834588655 DLOUUEHVOKEUQK-JQFCIGGWSA-N 298.455 4.989 30 10 CJEE C=CCCC[C@H](c1ccccc1)c1nc([C@H]2C[C@@H]2C)no1 904822338 OCUUGPGLJWXKTE-IMJJTQAJSA-N 282.387 4.681 30 10 CJEE N#Cc1ccccc1N=Cc1cccc(Cl)c1Cl 1084016823 YUAIZKSNYKFAIS-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE Clc1cc(Cl)c(NN=Cc2ccco2)c(Cl)c1 1084252571 ZHWJPVGKJCCAPW-UHFFFAOYSA-N 289.549 4.686 30 10 CJEE C=CCCC(=O)O[C@H](C)c1sc2ccccc2c1C 1128217049 NPEZRDKJMFZLSN-GFCCVEGCSA-N 274.385 4.780 30 10 CJEE C=CCCC1(CNC(=O)C[C@@H](C)c2ccccc2)CCCC1 1130909698 CAPPXDAZKMDREW-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=CCCCN(CC)C(=O)CCCc1cc(C)sc1C 1134801985 BBEZTZVIUNEZIR-UHFFFAOYSA-N 293.476 4.502 30 10 CJEE C=C(C)CN1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C 1168263003 AHUJZXRCZCSGLV-UTKZUKDTSA-N 291.438 4.641 30 10 CJEE C[C@H](CCC#N)CN1CCCCC[C@@H]1c1ccccc1 1180168633 ADTXVHXBDXQFPI-SJLPKXTDSA-N 270.420 4.544 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C)[C@H](C)C1 1182327416 TUZSKIPPPDFNHS-PSBWJHGTSA-N 271.448 4.588 30 10 CJEE C=CCCCCCCCNC[C@H]1CCCC[C@H]1C 1202664174 AHYJRKFKYLBUPG-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cscn1 1258230627 ZKUWYROKYUYISQ-CQSZACIVSA-N 268.470 4.762 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(CCCC)c1C(C)C 1308732947 VMIRDBPYJKQLAG-CQSZACIVSA-N 263.429 4.573 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCc2c(F)cccc21 1308942104 FQFLXXMZPGCJJE-RDTXWAMCSA-N 275.411 4.928 30 10 CJEE C#Cc1ccc(N[C@@H](CC)C[C@@H](C)CC)c(Cl)c1 1308959910 CRDLEHLIMHBLBZ-JSGCOSHPSA-N 263.812 4.948 30 10 CJEE C=CC(C)(C)CC(=O)NCC1(c2cccc(C)c2)CCCC1 1357437968 MYYBMDHUZQWMPH-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC[C@@H](CC)C1)c1ccccc1 1435394798 DLJWVOUFLIAOQF-MJGOQNOKSA-N 299.458 4.775 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H]1CCCC12CC2)c1ccccc1 1438921434 OFFHWAPIFLBEEZ-MSOLQXFVSA-N 297.442 4.781 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@H](c2ccc(C)cc2)C1(C)C 1438970664 ZLCKNKXXHDHAMW-QGZVFWFLSA-N 299.458 4.692 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(CCC(F)(F)F)c1 1457813555 APEJQGTXKVXTJZ-GFCCVEGCSA-N 299.336 4.722 30 10 CJEE C=C(C)c1cccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 1458677578 HUANCZKSRFMEOG-UHFFFAOYSA-N 296.326 4.574 30 10 CJEE C=CCCCCCN(C)CC(F)(F)c1ccc(F)cc1 1459539271 LDKDLUJKXPIOHX-UHFFFAOYSA-N 285.353 4.596 30 10 CJEE C=CCCCCCCNC(=O)c1cc2c(C)cccc2o1 1459914643 PBDXXKCPMUVPDO-UHFFFAOYSA-N 285.387 4.608 30 10 CJEE C=CC[C@H]1N(CCc2ccc(F)c(F)c2)CCCC1(C)C 1460028940 KCGQFODFJALHRE-QGZVFWFLSA-N 293.401 4.574 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc2ccncc2s1 1461635151 WDDFGZLETJVKTL-XJKSGUPXSA-N 286.444 4.521 30 10 CJEE C=CCOc1ccc(CN[C@H](C)[C@@H](C)CCCC)cc1 1462217602 CIWFBJIBGQRZAO-JKSUJKDBSA-N 275.436 4.556 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@]1(C)CC1(C)C)c1ccccc1 1462528869 HYIPDCWQGRDYKX-PXNSSMCTSA-N 299.458 4.679 30 10 CJEE C=C(C)CCC(=O)NCC1(c2ccccc2)CCCCCC1 1464763377 UHBAGGNLLQMITG-UHFFFAOYSA-N 299.458 4.751 30 10 CJEE CCCCCCCCN(Cc1ccccn1)C(C)C 1473116135 OUUWDOBTYRULCU-UHFFFAOYSA-N 262.441 4.653 30 10 CJEE C=CC(C)(C)CN[C@H](C)CC12CC3CC(CC(C3)C1)C2 1474528616 RQWFHWCWUKAHOT-DGTBMVLOSA-N 275.480 4.783 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1521667889 GBROLPVJIRMSQR-YLQAJVPDSA-N 291.822 4.510 30 10 CJEE C=CC1(CC(=O)N2CCCC[C@H]2CC(C)C)CCCCC1 1525488849 RMAJCSJGKSZFLJ-KRWDZBQOSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C(C)C)CC2)CCCCC1 1531635139 XFTCSFAZWYOBKM-QGZVFWFLSA-N 291.479 4.798 30 10 CJEE C#CCC1(C(=O)N(C)c2ccc(C(C)C)cc2)CCCCC1 1533031429 FKGPUGPCIHXYSR-UHFFFAOYSA-N 297.442 4.747 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 1537413743 ASPICPUPASVBPN-MRXNPFEDSA-N 297.423 4.840 30 10 CJEE C=CC(C)(C)CCNC(=O)C1=C(c2ccccc2)CCCC1 1540199404 FPUGKQOJJJVRIA-UHFFFAOYSA-N 297.442 4.733 30 10 CJEE C=CCC1(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)CCCCC1 1543288635 MCWXAVJTRDOBJP-FVQHAEBGSA-N 289.463 4.598 30 10 CJEE C=CCCCN1CCC[C@@]1(CC)CCc1ccccc1 1560106955 UWQHOFCWUKTFSI-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc3c2OC(C)(C)C3)C1 1560808605 ZDLUEYBAOKJFOS-UKRRQHHQSA-N 271.404 4.557 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)CC)cc2)C1 1583961039 NTVOMJFEIFYRRR-MRXNPFEDSA-N 299.458 4.803 30 10 CJEE C=CCC1(NC(=O)c2cc3cc(C)ccc3s2)CCCC1 1587441922 UECKPMCEZDXANU-UHFFFAOYSA-N 299.439 4.828 30 10 CJEE C=CCCCCCN(C)Cc1c(F)ccc(F)c1Cl 1621174617 FPQKZYZMZXLWDF-UHFFFAOYSA-N 287.781 4.796 30 10 CJEE C=CCC1(CNCC(CC)(CC)CC)CCCC1 1621333339 KFRYGVLIXVMKNX-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(C)c1cccc(NC(=O)c2nc3ccccc3s2)c1 1640180179 SIFNWXKLWUFMLC-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE C=CC[C@H](C)Sc1nccn1-c1ccc(C)cc1C 1643526156 LMDKCWWBQADKRS-AWEZNQCLSA-N 272.417 4.546 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc(C(C)C)cc2)C1 1648718075 ZSRQCLYMSZCOFR-PKOBYXMFSA-N 271.448 4.687 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 1653225056 VWGLVLVQCRXEAV-KGLIPLIRSA-N 283.802 4.925 30 10 CJEE COc1cccc([C@@H](C)S[C@H](C#N)Cc2ccccc2)c1 1656368963 GHELIWNRNWOPEQ-KDOFPFPSSA-N 297.423 4.624 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 1658065854 JVGLZPIYHXNDBQ-LUYZLQTOSA-N 291.385 4.545 30 10 CJEE C=CCC[C@H](CCC)NC[C@H]1CSc2ccccc21 1658174980 XERJOVLPTOMIEP-GJZGRUSLSA-N 275.461 4.600 30 10 CJEE C=CCC[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1 1659649317 JYVNBWLHAQMTBK-OXQOHEQNSA-N 295.426 4.729 30 10 CJEE C=C1CCN(C(=O)Nc2ccc(CCCCC)cc2)CC1 1672734376 SVLHVYFIKBGVJA-UHFFFAOYSA-N 286.419 4.603 30 10 CJEE C=C(C)c1cccc(NC(=O)N2[C@@H](CC)CC[C@H]2C)c1 1681067395 SJWYMGGRIPOACL-CJNGLKHVSA-N 272.392 4.515 30 10 CJEE C=CC(C)(C)CCNC(=O)N1CCCCC[C@@H]1CC(C)C 1687156826 SXTBRQJIHOCKSA-MRXNPFEDSA-N 294.483 4.589 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](CCC)COC 1879025963 KOALCCXXMNSCDA-DLBZAZTESA-N 271.489 4.778 30 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4.954 30 10 CJEE C=CCCCSC[C@@](C#N)(NC(C)C)C1CCCCC1 2287091065 UPJBSBRVDZUIJK-QGZVFWFLSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc2ccncc2c1 2287412321 BZZHDOADAUZZRQ-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1Cc2ccccc21 2287413947 MMLJOFPJVQHUSQ-MOPGFXCFSA-N 271.448 4.831 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2289681107 JQCSXFDVFMKRHV-FCGDIQPGSA-N 273.464 4.504 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1csc2ccccc12 2289789052 SVGIUIRGTMFMTK-KRWDZBQOSA-N 283.440 4.746 30 10 CJEE CC(C)NC[C@@H]1CCCCC[C@H]1CC#CC1CCCC1 2289874921 OBXCVBFIZBNEQT-OALUTQOASA-N 275.480 4.765 30 10 CJEE C[C@@H]1CCC[C@](CC#CC2CCCC2)(CNC2CC2)C1 2289924685 NBEWWAIAOSRYIA-VQIMIIECSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@@](C)(CC=C(C)C)OCC(=O)O 2291144733 ZMUOFNVVAZHIHF-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)C1CCCCC1 2292418723 RHDCZMQPRBAMIE-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H]1CC=CCC1 2292785626 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HBMRFIXPSQKVAW-UHFFFAOYSA-N 288.799 4.715 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2302838966 ISTXDFRXQIKRFS-SMDDNHRTSA-N 270.203 4.610 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)c(Cl)c1 2304041403 NQQDFLJVKAADGI-ZIAGYGMSSA-N 272.219 4.986 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C)cc1Cl 2304130164 WZYHWPGQTURYDH-LSDHHAIUSA-N 252.785 4.674 30 10 CJEE CCc1csc(SCC2(CS)CC(C)(C)C2)n1 2304520027 BMWVTZRWZFOJSO-UHFFFAOYSA-N 287.519 4.534 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NC 2308155058 QNCXMOWWUJNOCU-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CC1CCC(CS[C@@H]2C[C@H](C)CC[C@H]2C#N)CC1 2313811322 WWMAQSCAHYMVPC-XTZTZFPZSA-N 265.466 4.874 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(Cl)c1 2315465842 PRARDTNFEZQXMR-ZENOOKHLSA-N 263.812 4.735 30 10 CJEE C=CCCCC[C@@H](O)c1cc(F)ccc1C(F)F 2316399565 OJZNEEUVLBYUBB-CYBMUJFWSA-N 258.283 4.543 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(CC)CC 2316728766 IHEGXDMYGGZUCX-INIZCTEOSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc2cscc2s1 2316738935 MJXNLLLABVUJTH-HNNXBMFYSA-N 277.458 4.992 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCC(C)(C)C2)C1 2319034284 KTIKKKOUSRJWRI-INMHGKMJSA-N 250.426 4.988 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2319255876 OSXFLKJSASXODC-OTYXRUKQSA-N 288.193 4.749 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320214759 CHHZDUJPWMDQLY-FPCVCCKLSA-N 251.458 4.639 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(C)(F)F 2333328026 MOSPAJZHCDKZTL-RBSFLKMASA-N 273.411 4.782 30 10 CJEE Cc1c(CNc2ccccc2C#N)ccc(Cl)c1Cl 2338659241 DMCUUCLLTUYZGX-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE COc1cc(F)c(C(=O)C2=CCCCCC2)c(Cl)c1 2338661381 WFPLEDGOFNRHGA-UHFFFAOYSA-N 282.742 4.561 30 10 CJEE C=CCC(CC=C)C(=O)c1ccccc1C1CCC1 2338728383 ULHRHUKAXNIBCZ-UHFFFAOYSA-N 254.373 4.905 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1ccc(Cl)cc1Cl)NC 2338739547 WTMISQDYFYBLRA-MRXNPFEDSA-N 298.257 4.892 30 10 CJEE C=CC[C@H](CNCCC)Cc1ccc(F)c(C)c1Cl 2339201329 XQBYJWUTTJPMSM-ZDUSSCGKSA-N 283.818 4.522 30 10 CJEE CC1=C(C)C[C@@H](C[C@@]2(C#N)CCCOC2(C)C)CC1 2343391178 YSYWQOZDPOIZCY-DOTOQJQBSA-N 261.409 4.612 30 10 CJEE C=CC[C@H]1CCCCN1Cc1cccc(C(C)C)c1 2343751381 JWSQABMOLJMZEA-SFHVURJKSA-N 257.421 4.741 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1coc2ccccc12 2344349010 PKCZVPBIQCKLRF-SJORKVTESA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1nc(C2CC2)cs1 2344383305 ZYLKANUUPVGDKK-GOEBONIOSA-N 278.465 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C2CCC2)cc1 2344464661 VXHPGHJUOCARJX-ROUUACIJSA-N 258.405 4.980 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)C[C@@](C)(CS)C(C)(C)C 2352081913 FFWIPKAZHVEMST-VYDXJSESSA-N 285.541 4.869 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NC 2352803215 ZXMLRRKPALNQBX-RFQIPJPRSA-N 277.374 4.545 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2[C@@H]3CCCC(F)(F)[C@@H]32)CC1 2355991117 PODONAJPFUGRHU-MHEUCROKSA-N 282.374 4.619 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C[C@@]12CCC[C@@H]1CC2 2359798718 TVGZJYXUUZAXAH-NXHRZFHOSA-N 280.452 4.637 30 10 CJEE C=CC[C@H](C)S[C@H]1Cc2c(C)cccc2[C@@H]1NCCC 2360207110 FQPCDTMAMIXRIH-WBAXXEDZSA-N 289.488 4.658 30 10 CJEE C#CC1(Oc2ccc(C)c(Cl)c2C=O)CCCCCC1 2360711723 VWWVGDSQERLGFY-UHFFFAOYSA-N 290.790 4.566 30 10 CJEE CCOc1ccccc1/C=C1\CC[C@@H](C2CCCC2)C1=O 3895465 RPNARAYNNNPCBU-MAUBAPBLSA-N 284.399 4.638 30 10 CJEE CC(C)S[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37685701 NWSWHOSXPZUFIN-XHSDSOJGSA-N 259.418 4.604 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 37936738 YMKZEQUEWPQPRE-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1ccc(C)c(OCCC[C@@H](C#N)c2cccc(F)c2)c1 57688507 UVWDALNYYXONPH-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1cc(C)c([C@@H](C#N)CCOc2ccccc2F)c(C)c1 57695806 SRZBPYLIIDVINY-MRXNPFEDSA-N 297.373 4.827 30 10 CJEE CCCCCCCCOc1ccc([C@@H](N)CC)cc1 59088189 BIUHOMHACZEHOC-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 71159627 OWHZMAXNBUDFAV-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE CCCCn1nc(C#N)cc1-c1ccc([C@@H](C)CC)cc1 76849376 ODPODMWEABDIHC-AWEZNQCLSA-N 281.403 4.735 30 10 CJEE CC(C)(C)c1cc(CC#N)c2c(Cl)cc(Cl)cc2n1 82468122 XVUSLVUMDJCMQS-UHFFFAOYSA-N 293.197 4.905 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)ccc1F 83204144 XVRPCZRZMYOFFV-IZZDOVSWSA-N 298.357 4.817 30 10 CJEE CCCCCCCCCCN[C@@H](C(=O)O)c1ccccc1 88379206 YNSACNVRPFNHCY-QGZVFWFLSA-N 291.435 4.543 30 10 CJEE CC1CCC(C#N)([C@H](O)c2csc3ccccc23)CC1 91883286 AWWUVTULUIRYLX-PTXATLKXSA-N 285.412 4.655 30 10 CJEE SCCCCCCCCCN1Cc2ccccc2C1 97799089 DJLBLPOQAXPJFT-UHFFFAOYSA-N 277.477 4.663 30 10 CJEE C=CCc1cccc(C(C)=O)c1OCCCCCCC 100132861 MCWDKWPOIAEBKY-UHFFFAOYSA-N 274.404 4.967 30 10 CJEE CCCCCCCn1cc(CC(=O)O)c2cccc(C)c21 107046837 ZXOKYKZDFJKGHW-UHFFFAOYSA-N 287.403 4.547 30 10 CJEE C#CC[C@@H](CC)c1cc(C(F)(F)F)ccc1OCC 107475037 FAFVEQGLRXLZKT-LLVKDONJSA-N 270.294 4.621 30 10 CJEE CCC#C[C@H](C)Cc1cc(Cl)ccc1OCCC 107583335 QBOMLPLBAJUJBL-ZDUSSCGKSA-N 264.796 4.721 30 10 CJEE CCCCCCC[C@H](N)c1ccc(Br)s1 109322318 ITNUVLBIGPKBKI-JTQLQIEISA-N 290.270 4.871 30 10 CJEE CCCCCCCCSc1nc2cc(N)ccc2o1 109966879 QKVXUYRBVOZVLI-UHFFFAOYSA-N 278.421 4.863 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccc(C)c(C)c1 110081384 DFNCZSWDBSEBQX-IBGZPJMESA-N 291.479 4.941 30 10 CJEE CCCCCCCCO[C@@H](C)CN[C@@H](C)CCC 110239603 LLBBBDQGUZLJOZ-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE Cc1cc(C)c(Nc2ccc(C#N)cc2Cl)c(C)c1 110250645 AASATZJJKOEOQD-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE Cc1cc(Oc2ccc(C#N)cc2Cl)ccc1Cl 110261460 DANZKSSTSOWSHT-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCCCCCn1cc(CNC)cn1 110267848 MGCYCVCSDFJHAK-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCC[C@H](CN)Cc1cccc(Cl)c1 110464765 UDWZQOMTVPHBOF-HNNXBMFYSA-N 267.844 4.818 30 10 CJEE CCCCCCC[C@@]1(C)CC(=O)N[C@@H]1c1ccccc1 116764882 LGVBZJHXPKPUNB-MSOLQXFVSA-N 273.420 4.614 30 10 CJEE CCCCCCCC[C@H](NCC)c1cncc(F)c1 124309962 BTMCQUPMNDOIJI-INIZCTEOSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H](CC)OC 124615769 OHKJUQZGJZEHEH-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CC#CCC[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 124659640 SLMXKDLLDGSRCD-MWXXRFSMSA-N 273.464 4.504 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc(OC)c1OC 139444689 ADIMOBGQJPEAAQ-INIZCTEOSA-N 293.451 4.844 30 10 CJEE N#Cc1cccc(Sc2cc(Cl)cc(Cl)c2)c1N 139897126 LTCVSBGXTLXPPM-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCCCCCC[C@H](O)CN(C)C 145251445 DTXLJEIZSAXZDD-KRWDZBQOSA-N 271.489 4.610 30 10 CJEE CCCCCCCCc1nc2cc(Cl)c(N)cc2o1 157490439 ITUGVSZNZWQZAM-UHFFFAOYSA-N 280.799 4.966 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC(F)F)c1 158202221 RGFMMXUOBKAGKE-CQSZACIVSA-N 271.351 4.648 30 10 CJEE N#Cc1ccc(CNc2ccc(Cl)cc2F)c(Cl)c1 162653254 XGYDHXIYFNGLSB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@H](NC)CCCC2 164201888 PZARAXDMOFTBEX-GOSISDBHSA-N 276.468 4.836 30 10 CJEE N#Cc1cc(Nc2cc(F)cc(F)c2)ccc1C(F)(F)F 164397127 YRLPNTGAPZAXNT-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE Cc1cc(C#N)ccc1CO[C@H]1C[C@H](C)CC(C)(C)C1 165549596 GHLADBZHEBAGFQ-GUYCJALGSA-N 271.404 4.598 30 10 CJEE CCSc1cccc(N[C@H](C)C[C@H](C)CC)c1C#N 167601602 OSXCQNAZWOGGSC-CHWSQXEVSA-N 276.449 4.907 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Br)c(C)c1 167769360 APKSIEFZNYZEEY-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)COc1ccc([C@H](C#N)C2CCCC2)cc1 167860424 PITVZVTVRVKRFA-QGZVFWFLSA-N 257.377 4.519 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1 185811694 HDWOGZATQFMHGG-GFCCVEGCSA-N 299.336 4.722 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C1 221801575 FAHNHVHREIHTGO-CPUCHLNUSA-N 270.420 4.724 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCC[C@@H]1N 226475727 SNKRCZJUJPEOTD-CVEARBPZSA-N 267.457 4.604 30 10 CJEE N#Cc1cc(Br)cc(SCC2CCCC2)c1 227639016 XAGJBLPHISAFDW-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE CCCCCCCCOC(=O)c1cc(C)nc(Cl)c1 228061692 PHEVCMGZDGNQAH-UHFFFAOYSA-N 283.799 4.561 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(CC)cn1)NCC 228720450 DRRVDHCBUANLGY-SFHVURJKSA-N 290.495 4.915 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCC3(CCCC3)O2)CC1 229466172 YPYKFHKXSXJWOE-AQFXKWCLSA-N 275.436 4.978 30 10 CJEE CC(C)(CCC#N)CN[C@H]1CCCC[C@H]1C(C)(C)C 229674666 FEMOFZHUZYLYCS-CABCVRRESA-N 264.457 4.511 30 10 CJEE C#Cc1cccc(NC[C@H](c2ccccc2)C(C)C)c1 232740708 NORVMSTVMOUGEJ-IBGZPJMESA-N 263.384 4.520 30 10 CJEE CCCCCCCNc1cnc(Br)c(C)c1 232924551 GLTWMVNXKYUGBI-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@@H]1CNCCC 232960921 MTUJIBYRTXSPPE-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc3cc(F)ccc3o2)CC1 235699335 FIQSFFCWNNIBST-SNVBAGLBSA-N 258.292 4.501 30 10 CJEE Cc1ccc(CNc2cc(Cl)ccc2C#N)c(Cl)c1 235873366 ONGVOTYXVUXBHB-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCN1C[C@@H]([C@H](C)CC)NCC1(C)C 250827549 OMDAIEGDXVKEQJ-MSOLQXFVSA-N 296.543 4.836 30 10 CJEE CC[C@H](C)N(CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252433500 CHRSUTGLXDGBRZ-DSLXNQLJSA-N 284.447 4.583 30 10 CJEE C(=Nc1ccc(Nc2ccccc2)cc1)c1ccco1 252460760 HYDQJJZMVAKMOT-UHFFFAOYSA-N 262.312 4.774 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 252746045 BCVFNQWPWCOXOY-QRVBRYPASA-N 277.496 4.724 30 10 CJEE CCCCCCC[C@H](N)CCCCC1CCOCC1 311366725 DCUBVLYABLDKSI-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCOC[C@H](NCC)C(C)(C)CC 311987537 PLSJNQNCSMABRV-INIZCTEOSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCC[C@H](N)c1c(C)cnn1C 312547729 IUQAHDNXMXLMMQ-INIZCTEOSA-N 279.472 4.649 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@]1(C=O)CCc2ccccc2C1 316677623 BHDZAWFAFMLROM-AYOQOUSVSA-N 270.416 4.577 30 10 CJEE CCCC1CCC(C=O)(CCC[C@@H]2CCCO2)CC1 316789847 HMOXJVIQAIJYHD-AQFXKWCLSA-N 266.425 4.511 30 10 CJEE O=CC1(CCc2ccc(Cl)cc2)CCCCCC1 317647183 YTOMUNKYGRYOMU-UHFFFAOYSA-N 264.796 4.812 30 10 CJEE C=C[C@@H](C)C1(CNC(C)(C)C)CCC(C)(C)CC1 318053436 YMWKZNQMSJLINN-CQSZACIVSA-N 251.458 4.783 30 10 CJEE Cc1ccnc(Sc2ccc(Cl)cc2Cl)c1C#N 322946480 QRBQWZOOXRSOIZ-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE N#Cc1ccc(Cl)c(NCC/C=C\c2ccccc2)c1 323342893 YGVRDCZCRWIBCW-YWEYNIOJSA-N 282.774 4.727 30 10 CJEE C=CCCCCN[C@H](C)c1ccccc1C(F)(F)F 381780694 YDMVGMOIKTVAST-GFCCVEGCSA-N 271.326 4.712 30 10 CJEE CC(C)(C)C[C@](C)(C#N)Nc1ccccc1Br 384889520 KNVULMLQKJUWFE-CQSZACIVSA-N 295.224 4.579 30 10 CJEE C#C[C@@H](N[C@H](C)c1sc2ccccc2c1C)C(C)C 387602519 KZJQRQWRKXAQQG-UKRRQHHQSA-N 271.429 4.518 30 10 CJEE CCCC1(C/N=C2/NCC3(CCCCC3)CS2)CCC1 391985725 TXNVIBAIYUUDOF-UHFFFAOYSA-N 294.508 4.600 30 10 CJEE C=CCCCCCCN[C@@H](C)[C@@H]1CC2CCC1CC2 394381099 QGGALGIDGJCZBL-BFWZDYSYSA-N 263.469 4.927 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C=O)CCC[C@H](C)C1 402443843 OUACEBQYHLJIQG-AVGNSLFASA-N 264.331 4.751 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCC2(C#N)CCCC2)c1 405173594 PHAHJNDRJFKZGW-UHFFFAOYSA-N 271.404 4.755 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1cccc(Cl)c1 464571696 RCAYSOCZPDHKEX-IUODEOHRSA-N 279.811 4.510 30 10 CJEE CCCCCCC[C@H](C[C@]1(C)CC1(F)F)NCC 689121986 DCJFFZPYWANLNI-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H](c1cccs1)C1CC1 695705196 RDEYHTYTVQZKNT-HNNXBMFYSA-N 288.803 4.836 30 10 CJEE CN(CCCCCCS)C1CCC(C2CCC2)CC1 695817628 QSGVATIEYWSGAY-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE CCSc1cccc(NC[C@@H]2C[C@@H]2C(C)(C)C)c1C#N 699869048 UZARUTTXWKGJLQ-JSGCOSHPSA-N 288.460 4.764 30 10 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C=CCCC[C@H](NCC)c1nnc(C2CCCCC2)s1 2204923176 VAAXNENRKJLGNT-AWEZNQCLSA-N 293.480 4.593 30 10 CJEE CCC1C[C@@H]2CC[C@H](C1)N2CC1(CS)CCCCCC1 2205243290 TWWLVQLJJKQVIO-ALOPSCKCSA-N 295.536 4.910 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1OCC[C@@H]1C)NCCC 2206898756 IXPRSFBAHWLACG-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@@H]1CCC[C@@H]1C 2207372662 GWWSABIIFVHJMZ-LZLYRXPVSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2207403033 GDOFKYDNURAKQA-ZBRFXRBCSA-N 281.484 4.680 30 10 CJEE C=CCCCCCCCCC(=O)CC1(CN)CCCC1 2207403339 HZCASXONHOKINT-UHFFFAOYSA-N 279.468 4.772 30 10 CJEE C=CCCCCCCCC[C@H](N)C1C[C@H](C)O[C@@H](C)C1 2207411461 UHHWCRSURDTJTF-BQFCYCMXSA-N 281.484 4.824 30 10 CJEE C=CCCCCCCCCN[C@@H]1CCCOC12CCC2 2207414619 OUMFCCWMLOXMKS-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cc(CN)cs1 2207431139 BTWMTDPPETYXRW-MRXNPFEDSA-N 295.492 4.937 30 10 CJEE C=CCCCCCCCC[C@]1(CNC)CCCOCC1 2207440117 WUFKDYICKNIOBS-SFHVURJKSA-N 281.484 4.700 30 10 CJEE CCCCCCCCCNc1ccc2nccnc2c1 2207446762 UZGHWVLMPWIEFC-UHFFFAOYSA-N 271.408 4.792 30 10 CJEE C=CCCCCCCCCC[C@@H](C)[C@H](C)NCCOC 2207449813 SATYBPZOFUKIMR-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CCC[C@@H](C)O1 2207449961 SHILDSLRYNSUJT-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H]1[C@@H](C2CC2)C(=O)N1[Si](C)(C)C 2207452328 YPOGHMFTXACBOF-JKSUJKDBSA-N 295.543 4.809 30 10 CJEE C=CCCCc1ccc(Br)cc1CC 2209908729 RKLFEVZMNHYPBA-UHFFFAOYSA-N 253.183 4.520 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C[C@H](C)CC 2214766481 YKEVHXICITZPGJ-PBHICJAKSA-N 259.459 4.606 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(F)C[C@H]1C 2220083212 OHGUDUREKXRLAP-PMPSAXMXSA-N 255.421 4.629 30 10 CJEE CC[C@@H]1C[C@H]1CCC1(C=O)CCC(C(C)C)CC1 2220853815 XSSKXMSZCYGVOY-KZYLPZIUSA-N 250.426 4.844 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc2ccoc12 2224191131 RIJDDJFUULGLFL-CQSZACIVSA-N 263.768 4.616 30 10 CJEE C=CCCCCCCC[C@@H](Cc1cscn1)NCC 2227268147 MVKUXAODUOHZOK-HNNXBMFYSA-N 280.481 4.580 30 10 CJEE C=CCCCCCCCNCC(F)(F)C1CCCC1 2227275309 XHWCJQQNEQFQJP-UHFFFAOYSA-N 273.411 4.928 30 10 CJEE CC[C@@H]1C[C@H]1CC[C@@]1(C#N)CCc2ccccc2C1 2228258073 DRDVCFQFXLCFDJ-KYJSFNMBSA-N 253.389 4.512 30 10 CJEE CCCCCCCCCOc1ncc(C#N)cc1Cl 2230994522 YKDSJRFOACYPHQ-UHFFFAOYSA-N 280.799 4.736 30 10 CJEE C=CC[C@H](CNC1CCC1)CC1C[C@H](C)C[C@@H](C)C1 2231580703 VUNUAGJWUJPTLA-OAGGEKHMSA-N 263.469 4.783 30 10 CJEE C#C[C@H](Nc1ccc(Cl)cc1CC)c1ccccc1 2231791498 KKGMJOKRVSHABX-INIZCTEOSA-N 269.775 4.689 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc2ccccc2c1 2234697581 PKMJLNMCIFGZLX-BEFAXECRSA-N 265.400 4.538 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@]1(CC)CCCO1 2235522528 VKOVKEMGGYGNEG-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCN(CC)Cc1ccc(O)cc1 2235542959 XVPOJBBUVJKFDH-UHFFFAOYSA-N 275.436 4.741 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@]2(C#N)CCCC[C@H]2C)c1 2237905136 OLPQJZLGOQNYLL-COXVUDFISA-N 291.822 4.576 30 10 CJEE CCCCCCCCCOc1ccc(N)c(C#N)c1C 2239467382 IUOXOKQEORFGPP-UHFFFAOYSA-N 274.408 4.578 30 10 CJEE CCCC[C@@H](CC)[C@H](C#Cc1ccc(C)cc1)NCC 2239740004 WWTMBDKDIDHWKD-MOPGFXCFSA-N 271.448 4.541 30 10 CJEE C=CCC[C@H](C)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC 2240215764 CNBKIJGLWZJWOF-MAUKXSAKSA-N 273.464 4.717 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CCC)CC1CC1 2240561957 DUFMBEGNEPOEHC-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1COCCC1(F)F 2240617362 DNCUDTSOPFXEQB-CABCVRRESA-N 291.426 4.516 30 10 CJEE C=C(C)CCCCOc1c(C)cccc1Br 2244628370 FKJRZJHQTQDDSV-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE C#CCCCCCNc1cc(Cl)c(Cl)cc1C 2247670558 JLHQUHAHAHAHNH-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE C=CC[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2250937234 LOVDDAXXXKMCSE-AWEZNQCLSA-N 296.252 4.583 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(Cl)c1OC 2256833355 QJFMOUVWOPUGFK-CMPLNLGQSA-N 287.856 4.663 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CCCCCC1(F)F 2259192561 HQHMMCAFVHOHHZ-KBPBESRZSA-N 259.384 4.666 30 10 CJEE C=C(C)CCCC[C@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C 2259213705 WKDHSUIVWSTEJO-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE CC(C)(C)C#CC=CCCC(=O)c1cccc(Cl)c1 2268734885 DTZIJBVBROCZPJ-UHFFFAOYSA-N 274.791 4.909 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1csc(C2CC2)c1 2268735076 KZIWQWWFLLTKAE-OAHLLOKOSA-N 274.429 4.655 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(CN)CCCC(C)(C)C1 2268739544 RJJVRJHJDGDESZ-GOSISDBHSA-N 261.453 4.528 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)C1(C)CCCCC1 2268741052 DVOLRPRUSVDWDQ-SFHVURJKSA-N 261.453 4.670 30 10 CJEE C[C@@H](C[C@@H](O)CC=CC#CC(C)(C)C)CC(C)(C)C 2268821233 DAQOVSFANYFUMR-HOTGVXAUSA-N 264.453 4.806 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2271792839 XYYGBNKITIKOQM-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@]23CCCC[C@@H]2CC3)C1 2273336639 GOCZIWXKPMYYJY-SQNIBIBYSA-N 261.453 4.681 30 10 CJEE CC(C)(C)c1cccc(CC(=O)C2=CCCCC2)c1 2274438995 SUCKFHURTHMUTO-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE C=CCCCCC[C@@H](CCCCC)OCCC(=O)O 2276102771 MLDZECBAHKUQMH-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CCC[C@](C)(O)c1ccccc1-c1ccccc1 2277482300 PUPFTGJWBLVODY-SFHVURJKSA-N 252.357 4.527 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)C(C)(C)O 2278239229 VENCXSJVDYOQME-HOTGVXAUSA-N 271.489 4.655 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(CO)ccc1C 2278712166 DVMYLPWHCHAWHE-HNNXBMFYSA-N 263.425 4.648 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C[C@H]1CCCCC12CC2 2279523084 KARBKOAUDIGGFX-SJORKVTESA-N 275.480 4.765 30 10 CJEE Cc1cc(N[C@@H]2CCCC[C@H]2C(C)C)cc(C)c1C#N 2280561837 CKRGJGCTORLAMU-FUHWJXTLSA-N 270.420 4.802 30 10 CJEE CCCCCCCCCCOC[C@@H]1CN[C@H](C)C[C@@H]1C 2284024168 BPPCAOZSFYRZMH-KSZLIROESA-N 283.500 4.778 30 10 CJEE CC[C@@H](C)[C@H]1CSC(=Nc2cccc(C(C)(C)C)c2)N1 2285714583 JIAJTZFVKKOQSY-IUODEOHRSA-N 290.476 4.723 30 10 CJEE C=CCCCCCCCSc1ncc(CNC)cc1C 2287079523 MJZTWKOGYHYBMR-UHFFFAOYSA-N 292.492 4.728 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccccc1OC(F)(F)F 2287407881 BDZIGIDPKGQLCO-ZDUSSCGKSA-N 287.325 4.722 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)[C@@H](CC)CCC 2287682574 PDQNDVRWZAIHKX-BZSNNMDCSA-N 283.500 4.678 30 10 CJEE CC(C)N[C@@]1(C#N)CCCC[C@H]1CCSCC(C)(C)C 2288868368 DGUQISJOEQVTAY-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2nc(Cl)ccc2C#N)C1 2290273998 SOOJFYRLSLWZIX-LBPRGKRZSA-N 291.826 4.623 30 10 CJEE CCC1(CC)CSC(=N[C@@H]2CC(C)(C)CCC2(C)C)N1 2290306006 PUUWUYXOCUMABS-CYBMUJFWSA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@@H](CCC1CCC1)OCCC(=O)O 2291036116 HABJUDPTCKILIC-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C(F)C[C@@](C)(CCCCCCCC)OCCC(=O)O 2291657390 MABWJWREMISHKN-MRXNPFEDSA-N 288.403 4.860 30 10 CJEE C=C(C)CCCC[C@](C)(CCCC(F)(F)F)OCCN 2292795007 AJJJPYZGVHKWRT-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C1CCCC1 2293673434 PYKPVATWCRBRIL-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1C[C@@H]1C)OCCN 2293759803 QXMIKFYAPZJFDF-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCC#CC[C@](C)(OCCCN)C(C)(C)CC 2294046101 YLAOWOVJRZMCSV-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc3cccc(Cl)c3n2)C1 2294976724 METUJOUJSHPGHD-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CC(C)CC1([C@@H](N)C#Cc2ccccc2Cl)CCCC1 2295208111 ANMPQZZLCKJGPS-KRWDZBQOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)[C@H]1CCCNCC1 2295533100 DFUXEPZAKKEWGK-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)O2 2295671960 WVWULGPGJCTEHZ-CSNJMZFVSA-N 281.484 4.815 30 10 CJEE CCC#CC[C@](C)(CCCCCCCCC)OCCN 2295688376 DXGMTOVXGDXKCF-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSCC1=CCCC1)NC(C)C 2296276092 DPLGZJPPWCZLHH-WBVHZDCISA-N 294.508 4.526 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(CCC)s1 2300610299 FDXTUCVVMVPXOL-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C)cc1Br 2301012048 AEAHDVSOXAISQL-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc2cscc2s1 2301056399 YJZMOMCLDQHCGR-CQSZACIVSA-N 263.431 4.731 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)sc1C 2304045865 KDRWUSJWFRJMQY-GJZGRUSLSA-N 251.439 4.618 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC(C)(C)[C@@H]1N 2313523624 BXUYKGXMYPHGRX-LSDHHAIUSA-N 267.482 4.537 30 10 CJEE C=C(C)C[C@@H](C[C@H]1CC[C@H](CCC)CC1)NCC 2319297001 ONPRZWVETFWLKO-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2321228822 PQNKOONXPICSKS-BIVLZKPYSA-N 252.442 4.802 30 10 CJEE CCCCc1ccc(C(=O)C=Cc2ccccc2OC)cc1 2322391410 OWGSGYNFDIJVGN-UHFFFAOYSA-N 294.394 4.934 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H]1CCCC2(CC2)C1 2327116371 SRKKOQFHNMQEEX-DZGCQCFKSA-N 270.482 4.708 30 10 CJEE OCCCCCCCC#Cc1ccc(Cl)cc1Cl 2327829006 NZQNODGOAOQQFH-UHFFFAOYSA-N 285.214 4.678 30 10 CJEE COC1(CSC[C@@H](CS)CC(C)C)CCCCC1 2328537829 GEVUWUWGMHMVBX-CQSZACIVSA-N 290.538 4.661 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1ccccc1C(F)(F)F 2337110744 DSKGKCWXLLCHTP-YPMHNXCESA-N 269.310 4.862 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1(C)CC2(CCC2)C1 2338739408 VRIIRLMUVLLGJF-INIZCTEOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H](CC)c1ccccc1 2338739850 ZQADPAHBLNQPRB-QZTJIDSGSA-N 257.421 4.537 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cccc(F)c1C 2338749344 IXEYNYNBBMYZQY-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C#CCN(CCCC1=CCCCC1)C1CCCCC1 2341039386 XXVQPAJGIMWZOX-UHFFFAOYSA-N 259.437 4.535 30 10 CJEE N#C[C@]1(Cc2cccc(C3CCC3)c2)CCCSC1 2343809691 UCSGXOIJLBWTBH-QGZVFWFLSA-N 271.429 4.534 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)c(C)c1F 2344341180 ZPNGTCPXKCQKTE-IAGOWNOFSA-N 263.400 4.695 30 10 CJEE C=CCC(C)(C)[C@H](Cc1cccc(Cl)c1C)NCC 2344373365 ZQMORNCIJDVZLS-INIZCTEOSA-N 279.855 4.771 30 10 CJEE C=CCC(C)(C)[C@@H](N)C[C@H]1CC12CCC(F)(F)CC2 2344378364 VAHMMXSZKHGYLS-STQMWFEESA-N 271.395 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(CSC)c1 2344385229 OFEUMTBDXXHSIP-IRXDYDNUSA-N 277.477 4.803 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(C(C)(C)C)c1 2344395846 KPXLDOZJTAMHOY-SJLPKXTDSA-N 259.437 4.976 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCCc2ccccc21 2344421704 SSWVEJSZDLZUJL-HNNXBMFYSA-N 256.389 4.668 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C1CC(c2ccccc2)C1 2344456924 JSQTYHMDYKUUSG-OPQOLIRYSA-N 258.405 4.534 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(F)ccc(OC)c1Cl 2344463369 DVWZFBKCQPUAFJ-GJZGRUSLSA-N 286.774 4.514 30 10 CJEE CCCCCCCCCCCO[C@@H]1CNC[C@H]1CC 2344731908 DHLLIMBRRDZZPH-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCc1ccccc1COCC1(CS)CC(C)(C)C1 2345011686 VFLGBNNGVJVODO-UHFFFAOYSA-N 278.461 4.502 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]2CC[C@@H]1O2 2353911712 OGQQUXOTYZBCIO-OWSLCNJRSA-N 281.484 4.673 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358321921 HSKFJXBNAQCETN-FZKCQIBNSA-N 286.406 4.945 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358456022 XIUNFSMCYJTMAB-WNRNVDISSA-N 282.468 4.693 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCCc2ccccc21 2359361047 LYJIALFRJTZKMO-QSOKESPWSA-N 265.400 4.611 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2359661903 MDQDYLOFCOFEKE-JONQDZQNSA-N 285.422 4.782 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1SCC(F)(F)F 2360231016 RWNXVYWDLAQFOG-HZSPNIEDSA-N 299.361 4.758 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2cccc(F)c2C#N)c(C)c1 36138885 HSQLKZXINDHSRA-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CC[C@@H](Nc1ccc(CC#N)cc1)c1ccc(C)cc1 37071484 KIZIYXHVPRNMQV-GOSISDBHSA-N 264.372 4.624 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1C 37306469 BDGQDGASHKZOSH-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE C[C@H](C[C@@H](C#N)Nc1cccc(Cl)c1)c1ccccc1 43535242 HNONZTQSXVJDMJ-DYVFJYSZSA-N 284.790 4.838 30 10 CJEE N#Cc1sc(-c2ccccc2)c(-c2cccs2)c1N 52902361 OJZFNQAJVJNMRM-UHFFFAOYSA-N 282.393 4.597 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)c2csc3ccccc23)c1 55332568 WAVBXPMWIRPKEG-OAHLLOKOSA-N 291.375 4.700 30 10 CJEE CCc1cccc(OCC[C@@H](C#N)c2ccc(Cl)cc2)c1 57685184 GXSJAIBFNUSKRG-INIZCTEOSA-N 299.801 4.979 30 10 CJEE Cc1ccc(C)c(C[C@H](C#N)c2ccccc2Cl)c1 57759859 CNGHDLCQTPQVCE-OAHLLOKOSA-N 269.775 4.807 30 10 CJEE CCCCCCC[C@@H](C)NCCc1cccs1 59089923 HPDDJUAZTKSBTA-CQSZACIVSA-N 253.455 4.629 30 10 CJEE CCCCCCCOc1ccc(C)cc1/C(C)=N/O 59295501 ZVDJCGKWUTXWER-SAPNQHFASA-N 263.381 4.542 30 10 CJEE CCN(CC)c1ccc(/N=C/c2ccccc2C)cc1 59513837 MGQIDKZTYGVRFV-XMHGGMMESA-N 266.388 4.592 30 10 CJEE C=CCCC[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 71276247 QNJJUGKFIZDQBS-KRWDZBQOSA-N 274.448 4.861 30 10 CJEE Cc1sc(-c2cccc(OCC(C)C)c2)cc1CC#N 77094574 GIAFIYPEQHXGHO-UHFFFAOYSA-N 285.412 4.824 30 10 CJEE CCc1nc(-c2ccc(Cl)c(Cl)c2)sc1C#N 82424612 AJBCGYRWNOGMNC-UHFFFAOYSA-N 283.183 4.551 30 10 CJEE CC(C)c1ccccc1OCc1nc(C2CC2)c(C#N)s1 82435853 RQWABPNVXAYYBV-UHFFFAOYSA-N 298.411 4.595 30 10 CJEE Cc1cc(C)cc(C[C@]2(C#N)CCc3ccccc3C2)c1 87998383 JBPZACIQEVLCLZ-HXUWFJFHSA-N 275.395 4.545 30 10 CJEE CCC[C@H](CS)CSCc1cc(C)cc(C)c1 94721440 QEAPFDAWSSNQFI-CQSZACIVSA-N 268.491 4.883 30 10 CJEE Cc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1C 96887848 KQANZSPPOISHFN-PKNBQFBNSA-N 294.394 4.987 30 10 CJEE C/C(O)=C1\C(=O)C=C(c2ccc(C)o2)C[C@H]1c1ccccc1 104175162 UTIBCJBOSIEGCL-HUCUOGIVSA-N 294.350 4.560 30 10 CJEE CCCCCCC[C@H](NCCC)c1nccs1 104443345 LQNFXUFCOKJZNF-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCNCc1cc2c(s1)CCC2 109923444 HCLXFRUIXDJGEN-UHFFFAOYSA-N 265.466 4.687 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](C(C)C)CC[C@@H]1O 110023308 AAVNEFCJRNUPPV-IKGGRYGDSA-N 270.457 4.549 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](CC)NCCC 110083756 FBESAOOPGTYIDF-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCOCc1cc(CNCCC)c(C)o1 110170291 XOABDZOJWDUUKN-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)C[C@H]2CC[C@@H]1C2 110198390 BDVGVNVMMPIHIZ-OTWHNJEPSA-N 295.511 4.779 30 10 CJEE CCCCCCCCC(=O)c1ccc(Cl)cc1N 114147990 GGHXABSCINPDPH-UHFFFAOYSA-N 267.800 4.856 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(OC)c1OC 115652035 KZVYSFGNJCDFRC-MRXNPFEDSA-N 294.435 4.878 30 10 CJEE CCCCCCCCC(=O)[C@@H]1COc2ccccc2C1 116258186 HRNPDVQGIXGNQX-INIZCTEOSA-N 274.404 4.557 30 10 CJEE CCCCCCCCOCc1ccc(CCNCC)cc1 125766249 JTHXYIWISXVVMH-UHFFFAOYSA-N 291.479 4.716 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130477566 JVIZXQJPNVMXFD-WBVHZDCISA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H](OCC)C1CCCCC1 131118781 KWOGEWHKDHSCSS-ROUUACIJSA-N 298.515 4.554 30 10 CJEE C=C(C)[C@H](NCCC)c1c(Cl)cccc1Cl 131304980 NJXYRICOTTWDFO-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc(F)cc1C 132042153 NDYIXAJCXSLBGZ-KRWDZBQOSA-N 265.416 4.755 30 10 CJEE CCCCCCCCSc1ccc(CN)cc1 136441786 FGBYOWHTVPKAAA-UHFFFAOYSA-N 251.439 4.598 30 10 CJEE C=CCCCC(=O)c1cc2cccc(Br)c2o1 136590180 CDVSDSZFJHPRBJ-UHFFFAOYSA-N 293.160 4.734 30 10 CJEE CCSc1cccc(Sc2ccccc2)c1C#N 136987889 HFTBEKAXWUWBII-UHFFFAOYSA-N 271.410 4.821 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CNc2ccccc2O1 157916507 PGUUGYUCPJCVTL-SFHVURJKSA-N 289.419 4.569 30 10 CJEE CCCCC[C@@](C)(O)C1(C#N)CCCCCCC1 159017165 MXHQIROEUARVDB-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCC[C@@H](O)c1cc(F)cc(Cl)c1 159154633 JMPLGCTUUVJQOF-CQSZACIVSA-N 258.764 4.873 30 10 CJEE CC[C@H](C)Oc1cccc(Nc2ccc(C#N)c(F)c2)c1 160502478 QHSPNWFJNCSJPM-LBPRGKRZSA-N 284.334 4.618 30 10 CJEE CCCCCCCCCCCCNCC1(CCO)CC1 160517607 BPBSXADVSYFIST-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Cl 162788125 ZEAWEVCTINWUBN-WBVHZDCISA-N 290.838 4.516 30 10 CJEE CCCCCCC[C@H](N)C1(OCC)CCC(C)CC1 166020431 UDZRSKSNNRIKHC-CGZBRXJRSA-N 269.473 4.660 30 10 CJEE CCc1ccc(/N=C/c2ccc3ccccc3n2)cc1 196300856 VQQFFNDTLQGSQG-CPNJWEJPSA-N 260.340 4.548 30 10 CJEE Cc1noc(/C=C/c2ccccc2)c1/N=C/c1ccccc1 205787624 WLHOUBRMEXROJA-VIWRHKKTSA-N 288.350 4.904 30 10 CJEE CCCCCCCCCCNC(=O)c1cnccc1Cl 211809328 SAYITQDNFIBLNI-UHFFFAOYSA-N 296.842 4.606 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1c2ccccc2CC1(C)C 213247765 QMKKWUFSNQPSJK-GOSISDBHSA-N 276.383 4.602 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1F)C(C)(C)C 213712800 GNAKMMSNVWSWJJ-JQWIXIFHSA-N 295.785 4.728 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@@H]([C@@H](C)CC(=O)O)C1 219838962 NSWIBYYJCUMGTR-YESZJQIVSA-N 297.483 4.558 30 10 CJEE SCC1(CN2CCC[C@H]3CCCC[C@H]32)CCCCC1 226153015 DVPLPYZLBVMBKA-HZPDHXFCSA-N 281.509 4.521 30 10 CJEE C=C(CC)C[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 229755529 GDCHNTQGGBLEPS-OIAUPDTQSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCCN[C@H](C)c1ncc(C)o1 231739056 SACHJYJGAZAHPE-OAHLLOKOSA-N 266.429 4.774 30 10 CJEE CCCCCCCCCC[C@H](N)CCOCC(F)(F)F 232083839 YTGPWVSKEUWWFL-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE C=CCCCCC[C@@H](CC[C@@H]1CCCCO1)NCCC 233124119 PKVSEQPLZSWETG-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)c3ccccc23)C1 235715525 AOTQIJWQXRUFFK-ZFWWWQNUSA-N 264.372 4.702 30 10 CJEE C=CCCCCCOc1ccc(F)c(Br)c1 236141042 WXVCDRWAJLFYSS-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2sccc2s1 236225836 JSFOXERKZJUMKE-LLVKDONJSA-N 280.462 4.604 30 10 CJEE C=CCCCCC[C@@H](N)[C@H]1CCCc2ccccc21 236315333 RXPCQKDJBNMDQQ-ZWKOTPCHSA-N 257.421 4.570 30 10 CJEE CC(=NO)c1cccc(OCc2csc3ccccc23)c1 252458812 GMDZSEAXJQUSLM-UHFFFAOYSA-N 297.379 4.679 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@H]1C 252905968 SXGOVCQLUVTVNO-KSZLIROESA-N 283.500 4.920 30 10 CJEE COc1c(C(C)C)cc([C@@H](C)CC=O)cc1C(C)C 258595760 ZQWUGVJXDHHQJV-ZDUSSCGKSA-N 262.393 4.635 30 10 CJEE CC[C@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 307202439 DWZAYVSGLDQDJD-BSHRGCEOSA-N 264.218 4.535 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@]2(C#N)CCc3ccccc32)C1 311371540 IYBFMZQJZKKYHT-KYJSFNMBSA-N 253.389 4.611 30 10 CJEE CCCCCCCCCCN[C@@H](CC)[C@H]1CCOC1 311701589 HXGNZBCTMXDJJG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)CC1 313429787 RRTOACNSAPVDBC-HOCLYGCPSA-N 256.393 4.523 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1c(F)cccc1Cl 320202117 QROMPSKYMQBKCZ-DCAQKATOSA-N 253.748 4.768 30 10 CJEE CCCCCCCCC(=O)[C@@H]1C[C@H](OCC)C1(C)C 378770092 WMGYJTPIUIEMRE-HOCLYGCPSA-N 268.441 4.757 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1cccs1 380102666 JCQYBCAPQFYYLN-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE CC[C@@](C)(C#N)c1ccc(Cl)c(Cl)c1Cl 380147926 ZWNNYAZYIOBADN-NSHDSACASA-N 262.567 4.838 30 10 CJEE CC1(C)OB(C2=CC[C@H](C3CCCCC3)CC2)OC1(C)C 382709299 WOECCQLHIZBADU-HNNXBMFYSA-N 290.256 4.925 30 10 CJEE CCc1csc(SCC2(CS)CCCCC2)n1 382956080 MXGJJVSBMYXHFH-UHFFFAOYSA-N 287.519 4.678 30 10 CJEE CC(C)CN(CCCCCCS)c1ccccc1 385157242 SSNAJDCMZBATDC-UHFFFAOYSA-N 265.466 4.639 30 10 CJEE C=C([C@@H](NCC)C1(CC(C)C)CCCC1)C(F)(F)F 388253838 IXNUGQNGKROTIE-CYBMUJFWSA-N 277.374 4.690 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2sccc2Cl)C1 394086611 NFFVJJBVTGYALL-HONMWMINSA-N 283.824 4.545 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cccc(Br)c1 398138929 YTCLAEDPHMEQHJ-STQMWFEESA-N 296.252 4.845 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)cc(C)cc1F 398523521 SXTSXWIHEBSDID-CQSZACIVSA-N 255.352 4.634 30 10 CJEE CCc1cccc(CC)c1N=C1N[C@@](C)(C(C)C)CS1 398527850 ADLRBZCJKOSLBE-QGZVFWFLSA-N 290.476 4.550 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1CCOC1)NCC 401071892 NGCNNPIEHOMLHH-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CCC[C@H](NCc1cc(C(C)(C)C)on1)c1ccccc1 580380419 JBIJZXLNCYBCKJ-KRWDZBQOSA-N 298.430 4.769 30 10 CJEE C#CCCCCCO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 686899153 YACRDYHNQGQSRK-YESZJQIVSA-N 250.426 4.657 30 10 CJEE CCCC[C@@H](CC)C/N=C1/NC2(CCCC2)CCS1 687319216 ZHBWDDDMHOKQTP-CQSZACIVSA-N 282.497 4.598 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NCCCC1CCC1 688423021 QCPWGQDKDQGNRK-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CC(C)OCCCC1(C#N)CCC(C(C)(C)C)CC1 690530689 ZXPZQEHIJPHRFI-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 691653008 QQKLZFJBLCROSX-KFWWJZLASA-N 280.396 4.585 30 10 CJEE CN(CCCCC(C)(C)C#N)CC1CCC2(CC1)CC2 696218684 UJISFBBZYQYJQV-UHFFFAOYSA-N 276.468 4.609 30 10 CJEE C=C([C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C)C(F)(F)F 699083571 HKZYJMYSNRKGDS-OSAQELSMSA-N 291.401 4.936 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2cnccc2c1 702771567 ZZMRZGAKJMDLIQ-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CC[C@@H](C)[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715706858 USIRTOMYSAAHRB-DOOAHGOASA-N 275.480 4.913 30 10 CJEE C=CC[C@@H](C)[C@H](NC)C1(c2ccccc2)CCCCC1 715747285 GLKQQFHPHRUNNO-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC3(CCC3)CO2)C1 716304131 JGDGOMZRDLQGJI-JFIYKMOQSA-N 278.436 4.511 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)CC1 718627599 QMIBBXMNUQNYJP-ZBFHGGJFSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC(=O)CC1C[C@@H](C)O[C@H](C)C1 724866373 ZXXAYYIKGVCALX-HUUCEWRRSA-N 268.441 4.900 30 10 CJEE C=CC1(CC(=O)NC2(c3ccccc3)CCC2)CCCCC1 1124635055 KAVLQQCHHNCCQK-UHFFFAOYSA-N 297.442 4.709 30 10 CJEE C=C[C@@H](OC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1 1130934913 ZHMPZNUFZOQAHL-ARFHVFGLSA-N 272.388 4.529 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)CCCCCCCCCC 1134916423 YJANLJRPZPNKEP-QGZVFWFLSA-N 277.452 4.532 30 10 CJEE C=CCCC[C@@H](Nc1ccnc(CC)n1)c1ccccc1 1164016579 XDROJVFEZQTLBJ-MRXNPFEDSA-N 281.403 4.549 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccccc1 1183551131 OPKMWHZVSSLRNO-CEXWTWQISA-N 269.432 4.862 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(C)cc1Cl 1202798014 UBLDZMNRBLTAPA-SFHVURJKSA-N 299.845 4.925 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([C@H](C)CC)cc1 1280275516 IPRYUYCDCGGSBI-OLMNPRSZSA-N 283.415 4.523 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1ccc(C)c2ccccc12 1287602961 ILIAVUXAALHFEN-UHFFFAOYSA-N 295.426 4.870 30 10 CJEE C=C(CC)CN1CCC(Cc2ccc(C)c(C)c2)CC1 1307811964 CVFXRTRLTLRSSY-UHFFFAOYSA-N 271.448 4.524 30 10 CJEE C=CCCC[C@H](N[C@@H]1CCCSCC1)c1ccccc1 1308919139 VBYQAZIXZSGVKP-MSOLQXFVSA-N 289.488 4.959 30 10 CJEE C=C(C)CCC(=O)NCc1cccc(-c2cccc(C)c2)c1 1434987383 LIGDZQFXMUBLJL-UHFFFAOYSA-N 293.410 4.635 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)Cc1ccc2ccccc2c1 1441123274 ZIPBTVJFALHPIQ-UHFFFAOYSA-N 295.426 4.791 30 10 CJEE C=C(C)[C@H](N[C@H]1CC=C(C)CC1)c1ccc(F)c(F)c1 1462118175 ZVNSJZLCEQZQEW-YOEHRIQHSA-N 277.358 4.670 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C=C 1467150774 FAPRDYDQDNNMPQ-WBVHZDCISA-N 284.403 4.586 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)c3ccccc32)c1 1467478284 QBOBXWFLGMVKMD-AWEZNQCLSA-N 292.382 4.875 30 10 CJEE Cc1ccc2sc(NCC(C)(C)CCC#N)nc2c1C 1472798146 BKOKAOHGQGXHLB-UHFFFAOYSA-N 287.432 4.655 30 10 CJEE CC#CCCCC(=O)N(CC(C)C)c1ccccc1Cl 1529253740 CDBOIZNPUDWEOC-UHFFFAOYSA-N 291.822 4.523 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@H](CC)CC=C)c1ccccc1 1530641571 IRUTVVZVNJVVQO-QZTJIDSGSA-N 285.431 4.597 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](C)CCC(C)(C)C)c1ccccc1 1531894968 NDAOWQITBOLJAS-JKSUJKDBSA-N 287.447 4.677 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CCCc1ccccc1 1535099449 DZHMYBPXZDXJGO-MJGOQNOKSA-N 299.458 4.603 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](c1ccccc1)C(C)C 1543937865 MMITVWKMXNZUJK-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=C[C@@H](C)NCc1ccc(-c2ccccc2)c(Cl)c1 1560395431 NZGHPLMWGROIBD-CYBMUJFWSA-N 271.791 4.671 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCC[C@H](CC)C1 1560699380 RUWPMJKALMPOHV-HKUYNNGSSA-N 296.458 4.763 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)C[C@H](CC)c1ccccc1 1567814418 IXEKDGKSOHTREA-KRWDZBQOSA-N 287.447 4.631 30 10 CJEE C#C[C@@](C)(CC)NC(=O)CC1CCC(C(C)(C)CC)CC1 1569253623 LVSOQCOEZZEBMB-RJYAGPCLSA-N 291.479 4.537 30 10 CJEE C=CCC1(NC(=O)c2coc3ccc(CC)cc23)CCCC1 1587441992 ZFJGMQVERSOVGD-UHFFFAOYSA-N 297.398 4.614 30 10 CJEE C=CC[C@H](C)Sc1nnc(Nc2ccc(C)cc2)s1 1613210675 JDACGZBUSLGTPP-NSHDSACASA-N 291.445 4.647 30 10 CJEE C=CCN(Cc1c(F)cccc1F)CC1CCCCC1 1615504218 CAKQVDCMBXKMOZ-UHFFFAOYSA-N 279.374 4.533 30 10 CJEE C=CCC[C@@H](NCc1cc(C)ccc1NC)c1ccccc1 1620868675 MAMYOAQOJJXERM-HXUWFJFHSA-N 294.442 4.834 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCc1ccccc1F 1621511246 UZOGCIFEELSAMH-HNNXBMFYSA-N 277.427 4.729 30 10 CJEE C=C(CC)CNC(=O)Nc1cccc(C2CCCCC2)c1 1626549721 BPXZMSYPGAUPFZ-UHFFFAOYSA-N 286.419 4.822 30 10 CJEE C=C[C@H](C(=O)N[C@H](CC)c1ccc(C)cc1)c1ccccc1 1631976744 UZZGQUSEPHANIN-RBUKOAKNSA-N 293.410 4.532 30 10 CJEE C#C[C@@H](Nc1nc2c(C)cccc2s1)c1ccc(F)cc1 1639949247 DVIULUYSJFJPQH-CQSZACIVSA-N 296.370 4.530 30 10 CJEE C=CC[C@@H]1CCN(Cc2c(C)ccc3cc(C)ccc23)C1 1647863392 HKPFUCCZKSKDIH-QGZVFWFLSA-N 279.427 4.855 30 10 CJEE CCCCCCCN(Cc1cccs1)C(C)C 1652350945 VMJJGMDHEWKDOA-UHFFFAOYSA-N 253.455 4.929 30 10 CJEE C=CCCN1Cc2cc(OC)ccc2C[C@H]1C1CCCCC1 1652697123 SNQMNIMZWPQTEZ-FQEVSTJZSA-N 299.458 4.578 30 10 CJEE C=CCC[C@H](NCc1cc(F)ccc1C)c1ccccc1 1653072324 ZKDAPGIIEMMDRY-IBGZPJMESA-N 283.390 4.931 30 10 CJEE C=CCC[C@@H]1CCCN1C[C@@H]1CCC[C@@H](c2ccccc2)O1 1656376826 FODYHKJNTCYZSD-AABGKKOBSA-N 299.458 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2227281911 UOEMQTANDAESPP-QGZVFWFLSA-N 260.425 4.678 30 10 CJEE C=CCCCCCCCC(O)(C(F)(F)F)C(F)(F)F 2227285821 KYGQYQLZTGSGHV-UHFFFAOYSA-N 292.263 4.759 30 10 CJEE Cc1sc(C(=O)CC#CC2CCCCC2)c(C)c1C 2228583696 MUTQBTLDXSSCMY-UHFFFAOYSA-N 274.429 4.830 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@]2(C)CC=C(C)CC2)CCC1 2229041605 DIPXRRAPWAGAKG-SJORKVTESA-N 261.453 4.847 30 10 CJEE C[C@@H]1C[C@](C=O)(CCCCCCCC2CC2)[C@@H](C)O1 2230875543 OEDUHBMXWDLRCF-INMHGKMJSA-N 266.425 4.510 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@H](N)[C@]1(C)CC 2231017360 YJKBWLUSNHNVES-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCCCCCCCOCC1(CC(N)=S)CC1 2231022147 MCODJESPANSGED-UHFFFAOYSA-N 285.497 4.600 30 10 CJEE CCCC[C@H](C)CCC(=O)C#Cc1ccc(Cl)cc1 2231078207 GDBKGEBXZGVLEO-AWEZNQCLSA-N 276.807 4.867 30 10 CJEE C=CCCCCC(=O)[C@](C)(O)CCCCCCCC 2231925666 OIQMXMOPUHUGER-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE C=CCCCCCC[C@H](NC)c1cc(Cl)cnc1OC 2232984359 QMNICGQLKPGMEF-HNNXBMFYSA-N 296.842 4.531 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1OC[C@H]2CCCC[C@H]21 2233173430 NKDIXHSZQKQENJ-ZJPYXAASSA-N 281.484 4.530 30 10 CJEE C[C@H]1CC(=O)C=C(C[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)C1 2233723441 ZXROTYBMCBHMGU-NGFQHRJXSA-N 282.374 4.764 30 10 CJEE CCN[C@@](C#N)(CSCCCCC1CC1)C[C@@H](C)CC 2235469701 ITHXMRIZDJHCQO-RDJZCZTQSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CCC[C@@H](C)CC1 2235524552 RCYNMKXBCHZPCC-SQNIBIBYSA-N 280.500 4.951 30 10 CJEE C=CCCCOC[C@H](NCCC)c1ccc(Cl)c(F)c1 2235856976 KJMXVVMLKSXJOF-INIZCTEOSA-N 299.817 4.503 30 10 CJEE C=CCCCCCCCCN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 2236986228 BEZUYDBYUPLXKM-FCGDIQPGSA-N 273.464 4.657 30 10 CJEE CCCCCCCCCC(=O)c1cc(N)ccc1OC 2237313355 MEHRFZPANZUEGI-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2cc(F)cc(Cl)c2)c1 2237996742 JTTDBQJWMLKIAG-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=CC[C@H](C=C)OCc1cc(CN[C@H](C)CC)sc1C 2238507053 XRFDWPUYKBCASP-CJNGLKHVSA-N 293.476 4.592 30 10 CJEE C=CCCC[C@@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2238800410 QLFRJKULGLADJZ-CQSZACIVSA-N 285.422 4.927 30 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PFYNFDMXMVXTTH-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE CCCCCCCCCCC1(OCCN)CCCC1 2277347180 LTASXGHRYFAIPR-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE C=CCC[C@H](C)[C@H](Cc1ccc(Cl)c(F)c1)NCC 2277906009 WYYSKWTXKGCRBU-LRDDRELGSA-N 283.818 4.602 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCN[C@@H]1C(C)C 2279400220 FZYLEXGEZUQUTN-FUHWJXTLSA-N 281.484 4.720 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C[C@H]1CCCCC12CC2 2279523080 KARBKOAUDIGGFX-IAGOWNOFSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC[C@H](O)C1(OC)CC(CF)C1 2281085193 LWFLBUPXUZONGM-CGZBRXJRSA-N 288.447 4.643 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CSC1CCCCC1 2284180731 WIHSQDNUEPMCDH-INIZCTEOSA-N 293.520 4.636 30 10 CJEE CC1(OC[C@H](CS)CC2CC2)C2CC3CC(C2)CC1C3 2287240771 WTWALHMTZOCUMZ-NGBNYADNSA-N 294.504 4.564 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1ccccc1OC(F)F 2287399180 HWGKRBTZYLWFFZ-INIZCTEOSA-N 284.346 4.632 30 10 CJEE C=C(C)CCCCNc1ccc(C#N)c(C(F)(F)F)c1 2287412657 FHAVYOZTBZAMJU-UHFFFAOYSA-N 282.309 4.735 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1C(C)=CCC[C@H]1C 2289852861 UUSROGJDQYHOLG-BHIYHBOVSA-N 273.464 4.541 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@H]1CC(C)(C)CCC1(C)C 2290319630 YSZLTFDSWAEEAN-CABCVRRESA-N 278.484 4.851 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)C=CCC(C)(C)C1 2290875669 AJGTXYDUMLGWBI-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](CCCC1CC1)OCC(=O)O 2291263223 VWVCHVKGWHRKQO-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC1(OCC(=O)O)CC(CCC)C1 2291557766 AZISRQRBUFPSLW-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCC[C@@H](OCC(=O)O)C1(C)CC1 2291711692 OJWXRYLIUYBBGR-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=C([C@H](CCCCCCC)OCCC(=O)O)C(C)(C)C 2292246840 CXZDMJBUIPPGEM-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)c1sccc1CC 2292698132 DWZBHKPQELRACP-CQSZACIVSA-N 296.432 4.589 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cc(C)cc(Cl)c1 2294409338 MKWBWMVKKCUAHN-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE C#Cc1ccc2c(ccn2C[C@]23CCCC[C@H]2CC3)c1 2295177505 NAOCWNAOFIGGLQ-PKOBYXMFSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C(CC)CC 2295521933 HVCCWHDRAHYZPX-SFHVURJKSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@@H](CN)C1(C)C 2295531630 NBGCLRJDWJBKMH-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccnn1CCC 2295603092 JCBAYSCDQZYVOX-QGZVFWFLSA-N 280.456 4.641 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@@H](CC(C)C)C(=O)O 2295676426 KPJLFVAFJCMPQQ-RDJZCZTQSA-N 285.472 4.591 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@]1(C)CCC[C@H]1O 2295689404 PRQYTGZJSVRIOV-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COC[C@@H]1C1CC1 2295692032 RPVXPLVKDWFJCX-JQHSSLGASA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)Sc1nc(Cl)c([C@@H](C)NCC)s1 2298941679 FVHUFHVTUDVBAR-DTWKUNHWSA-N 290.885 4.524 30 10 CJEE C#CC[C@@H](CSC[C@H]1CC[C@H](C)CC1)C1CC1 2299028011 BVQMLMDPKQCJCO-DZKIICNBSA-N 250.451 4.595 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cccc(C)c1Br 2301047860 FYCYGGUDDBUSKC-OAHLLOKOSA-N 295.220 4.559 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@@H]1C[C@@H]1CF 2313502531 JTICQMZLMZZVRM-ARFHVFGLSA-N 257.437 4.840 30 10 CJEE C=CCC(CC=C)SC[C@H](N)C1CCCCCC1 2313525908 BIVYYNRRALQUOE-INIZCTEOSA-N 267.482 4.538 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C)CC(C)(C)C)NC 2316738721 KQHXYNSUYKAPNJ-GDBMZVCRSA-N 251.458 4.805 30 10 CJEE C#CC[C@H](C)COCCCc1cc(Cl)cc(Cl)c1 2318634290 CGIAMQPLHBIMKP-LBPRGKRZSA-N 285.214 4.602 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1CC[C@H]1C(C)(C)C 2320212990 HECHCQHOOXLHPP-BZUAXINKSA-N 251.458 4.913 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(C=O)CCCC1(C)C 2320315265 MXPVOFIGMGCLNZ-CPUCHLNUSA-N 250.426 4.844 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CC[C@H]1C(C)(C)C 2320316289 XPEVYZSBZFMJOO-DLTWYDFYSA-N 250.426 4.844 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(CC)CCC1)NCC 2321143440 ATZKBMFAZIZWFI-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@@H](C)C1)NCC 2321144978 LZRSVNGVVCAAKC-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C[C@@H]1C[C@H]1C1CCCC1 2321219193 GMZMAOMMJKAFDF-MWDXBVQZSA-N 250.426 4.556 30 10 CJEE CC1(C)CC(CS)(COc2ccc(Cl)cc2F)C1 2321740618 CCAWUKWMIZWGOJ-UHFFFAOYSA-N 288.815 4.594 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C)[Si](C)(C)C 2330728075 MOWHAKYTYMPQJQ-GVDBMIGSSA-N 281.560 4.861 30 10 CJEE CCCCCCCCCCCCO[C@@H](C)[C@@H]1C[C@@H]1N 2331387597 XGXDOWFWJSCCJZ-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CC1 2333706706 VLXSGVRDTCMJNC-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@H](NCCC)c1ccccc1 2335103558 NKNGZUNCCCZDHD-ZOBUZTSGSA-N 277.477 4.814 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC[C@]1(C)CCCCC1(F)F 2337146289 MQVCJKZULGYQDW-KFWWJZLASA-N 271.395 4.536 30 10 CJEE C=CCCC[C@@H](C)Nc1ncc(C)cc1C(F)(F)F 2338014052 WZSARBPKAOJYRT-LLVKDONJSA-N 272.314 4.566 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(F)ccc1C(F)F 2338276870 ZVLLBSARJYBHEV-AWEZNQCLSA-N 271.326 4.770 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@H]1C1CCCC1 2338732751 LQZPEKSJMXONBL-KSZLIROESA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 2338738580 NOBDARPHYQSDLB-CHWSQXEVSA-N 274.326 4.693 30 10 CJEE CCCCCCCCO[C@H](CCNC)c1cccs1 2340643522 KRANKSSXBAOVRT-OAHLLOKOSA-N 283.481 4.776 30 10 CJEE C=C(C)CN(CCCc1cc(Cl)cc(Cl)c1)C1CC1 2341135148 AWJORWIYYXWBLD-UHFFFAOYSA-N 298.257 4.967 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CC1(C=O)CCC(F)(F)CC1 2343337759 QYEYOAFWNVPZJM-QWHCGFSZSA-N 272.379 4.843 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H]1CCC2(CCCC2)C1 2344348927 OTESVZBGXNOHJP-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cccc(F)c1F 2344378670 VTTQYSQWBPSMPO-CVEARBPZSA-N 267.363 4.608 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@@H]1CCCC[C@H]1C(F)(F)F 2344386751 YQQBTGFSSBKEHY-YNEHKIRRSA-N 277.374 4.675 30 10 CJEE C=CCC(C)(C)C(=O)Cc1ccc(C(C)(C)C)cc1 2344422808 ZUCSBBUIYVBQJW-UHFFFAOYSA-N 258.405 4.698 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1c(C)cc(C)cc1C 2344461886 FXQJLEFHHUIWAO-ZWKOTPCHSA-N 260.421 4.508 30 10 CJEE C=C[C@]12C[C@H](CCN1CC1CCC(CCC)CC1)C2 2351689327 DXGZLYLYAPVJQD-OWCVQMPJSA-N 261.453 4.633 30 10 CJEE C=CC12CC(CCN1CCc1cc(Cl)cc(Cl)c1)C2 2351694596 UBECBSIXASNASK-UHFFFAOYSA-N 296.241 4.576 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)[C@@H](C)CC1CCC1 2360323904 LUNXAYZDUARFDG-SZMVWBNQSA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)SCc1cc([N+](=O)[O-])ccc1NCCC 2360356087 TZKCHXJJGMIKAL-LBPRGKRZSA-N 294.420 4.615 30 10 CJEE FC(F)(F)c1ccccc1/N=C/c1c[nH]c2ccccc12 5741193 JEPBVWAWOWEABU-UFFVCSGVSA-N 288.272 4.937 30 10 CJEE Cc1ccc(N/N=C/c2c[nH]c3ccccc23)cc1Cl 6674046 BLZQEWVZCAYKSH-VXLYETTFSA-N 283.762 4.576 30 10 CJEE Cc1ccc(C)c([C@@H](C)Nc2ccc(CC#N)cc2)c1 37071248 JAGUBYOTKRSASL-OAHLLOKOSA-N 264.372 4.543 30 10 CJEE Cc1cccc(N[C@@]2(C#N)C[C@H](C)CC(C)(C)C2)c1 37936660 UPZCNJSSAZYSNP-PBHICJAKSA-N 256.393 4.516 30 10 CJEE C=CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccccc1 38274180 CWMPLJWGIBSZDI-OAHLLOKOSA-N 289.419 4.951 30 10 CJEE CC(C)(C)c1ccc(C(=O)[C@H](C#N)c2cccs2)cc1 52902889 XXFQWOUWVFXXIZ-CQSZACIVSA-N 283.396 4.536 30 10 CJEE CCc1cccc(OCCC[C@@H](C#N)c2ccc(F)cc2)c1 57685596 XCDPRCPKVFSJBP-KRWDZBQOSA-N 297.373 4.854 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccccc1CN(C)C 59090175 BGWVJMWUCAMOAZ-QGZVFWFLSA-N 290.495 4.587 30 10 CJEE CCCCCCCCOCc1cc(N)ccc1OCC 59160744 AJSZSIKAGLOXKH-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(C)c(C)c1 59207901 NCCIJIHFXVJWLW-UHFFFAOYSA-N 274.404 4.806 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)c1cccc(F)c1 73169176 GNQARCVLQWXNTM-KRWDZBQOSA-N 280.383 4.569 30 10 CJEE CCc1nc(-c2ccc(Cl)cc2Cl)sc1C#N 82424534 BDBHXSCWPSKVLL-UHFFFAOYSA-N 283.183 4.551 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(C)ccc2C)C1 87972474 NNVRUVBCYKPQRY-FUHWJXTLSA-N 255.405 4.956 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 88191304 RYTIJPBUECVYKU-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2ccc(C)c(C)c2)C1 91878588 XIXDVGIBJWSUNI-BHIYHBOVSA-N 285.431 4.621 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC[C@H](CC)CC2)CC1 91903331 MNWLBCFIYXVTDZ-FCCDEINASA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(CCC(C)C)C2CCCC2)C1 94848757 KZKPTCDLSIFSRG-ZIFCJYIRSA-N 290.495 4.996 30 10 CJEE CCCCCCCCCNC(=S)c1ccccc1 103008605 DYUZLJNOSCAPMT-UHFFFAOYSA-N 263.450 4.702 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(Br)c(C)c1 107608972 YCDROTKFOJERDF-PWSUYJOCSA-N 265.194 4.520 30 10 CJEE CC#CC[C@@H](C)c1c(C)cc(OCCC)c(C)c1C 107639841 QEOGAGZDTWBWAS-CYBMUJFWSA-N 258.405 4.918 30 10 CJEE CCCCCCC[C@H](CCOc1ccccc1)NCC 109716124 LXWOCNDFEQCFGD-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cccc(Cl)c1 109718431 HSBCATSBUNIQTM-MRXNPFEDSA-N 267.844 4.960 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)Cc1ccccc1OC 109910254 PFBSZZGZKDMXIN-IRXDYDNUSA-N 291.479 4.965 30 10 CJEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 109947634 WFURPPPOWPWQLG-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCCCCC(CCCCC)N[C@@H](CC)CC#N 109954871 XFRFEJNQCOFKCU-HNNXBMFYSA-N 252.446 4.797 30 10 CJEE CCCCCCCCOCc1cccnc1NCCC 110100158 AULJKRFFOVDFLL-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE Cc1ccc(C#N)c(Nc2ccccc2OC(F)(F)F)c1 110252255 FKDPASJTPSWGEL-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE Cc1cc(Oc2nc3c(cc2C#N)CCCC3)ccc1Cl 110261476 QIPJQJXJMBXOJH-UHFFFAOYSA-N 298.773 4.586 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@@H](C(C)C)CCC1=O 110325819 JHLKLURZISQLKD-LSDHHAIUSA-N 266.425 4.557 30 10 CJEE CCCCCCCCNc1c(F)cc(F)cc1F 115244795 DMPIONSGGSDFBV-UHFFFAOYSA-N 259.315 4.876 30 10 CJEE CCCCCCCCCCCc1nn(C)c(N)c1CC 115858250 QUECDOYNVASRAB-UHFFFAOYSA-N 279.472 4.638 30 10 CJEE CCCCCCCC[C@]1(C#N)COc2ccccc2C1 116252136 FTHTVFUYXYHLSH-SFHVURJKSA-N 271.404 4.882 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cc(C)ccc2o1 122286640 VIFQUFONTBGDNM-HNNXBMFYSA-N 274.408 4.606 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(C)CCCO1 123611683 WLDJJZKHWNPYHA-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cccc(OC)c1 125233553 AMONFEWXTHVKCZ-GOSISDBHSA-N 292.467 4.730 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CSCCN1 125823614 ZCEZUGWGGCGGTP-INIZCTEOSA-N 299.524 4.572 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(Cl)c1F 126535386 VCPVLCDEIHVNKO-AWEZNQCLSA-N 286.822 4.734 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H](C)OC 129148542 URMSVSSOYLGJOW-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCNc1cc(OC(C)C)ncn1 129419508 VQKWLMWORLTAPD-UHFFFAOYSA-N 293.455 4.816 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)Nc2ccc(F)cc2)CC1 130046681 SEYFNQFITRBPHW-KVULBXGLSA-N 288.410 4.982 30 10 CJEE CCCCCCC[C@@H](CCC1CCCCC1)NN 130052098 WEVRNBASOQDZJL-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCC[C@H](CCC1CCCCC1)NN 130052341 WEVRNBASOQDZJL-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 131449812 IDWPEFSNCFLHMA-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133173332 GKWCQFTXRVOGJM-ZACQAIPSSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCC[C@H]1CSC[C@H]1NCC 134607497 KSSVFPDLZNTIRU-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE CCSc1cccc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N 136720162 SQQWGEBOYCKOHE-BFHYXJOUSA-N 289.444 4.874 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)C 156198107 LUBXCTPOXOOLRS-ZACQAIPSSA-N 251.458 4.639 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C)[C@H](C)C1 158191578 UBRAFPDDMZZQAZ-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCCCO1 162340072 KWQJDUYGDSPIOD-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](NC)C(CC)(CC)OCC 164251302 YKDWLGTZEWGOCV-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cccc(F)c2Cl)C1 166803305 KIKZTNHJCYTWOZ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE C=CCCC[C@@H](NCCC)c1c(F)cccc1Cl 167752333 QKIQKNUCXGYLAU-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CC#CCC[C@H](NCCC)C1CCC(CCC)CC1 168158248 CANKTSVGYDSXHH-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CCCCCCCC1(O)[C@@H]2CC[C@@H]1Cc1ccccc1C2 168656580 IZZAEWRCICHZEM-RTBURBONSA-N 286.459 4.903 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C 185863537 GZNGWTXPIIEGEZ-SJLPKXTDSA-N 285.431 4.569 30 10 CJEE CCCCCCCCCCC(=O)CC1(N)CCCC1 226459287 XATFWYLPECWWNB-UHFFFAOYSA-N 267.457 4.748 30 10 CJEE C=CCC[C@H]1C[C@H](CCC)CC[C@H]1CNC(C)C 227526687 VVXDMPFYLRVQKS-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 230765604 CYHHXLQHHDAIKU-NVXWUHKLSA-N 256.393 4.575 30 10 CJEE C=CCSCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 231930466 SKULSEMHSRFVAL-AWEZNQCLSA-N 277.477 4.554 30 10 CJEE C=C(C)C[C@H](NCCC)c1scc(C)c1Cl 233106749 IAWIDUZUPCQDFU-NSHDSACASA-N 257.830 4.717 30 10 CJEE CCOC1(C(=O)C2=CCCCCCC2)CCCCCC1 233741076 LTCOILBINVSSNI-UHFFFAOYSA-N 278.436 4.966 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1C[C@@H]1c1ccccc1 234432928 BHWLXALZASNAHK-SQNIBIBYSA-N 257.421 4.515 30 10 CJEE Cc1cccc(NCc2cccc(Cl)c2Cl)c1C#N 235907435 JISZOEZPIUZJBF-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC[C@](C#N)(CCCS[C@@H]1CCC[C@H](C)C1)NC(C)C 300208533 SWGMQRGACIGGMS-GVDBMIGSSA-N 296.524 4.749 30 10 CJEE C=CCCCn1c(S)nc2cc(Cl)c(Cl)cc21 310212388 HBAKPJCLWQZUCK-UHFFFAOYSA-N 287.215 4.598 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cc(C)c(C#N)c(C)c2C)C1 312246762 IEWGTOFZZUKEGN-HZPDHXFCSA-N 271.404 4.831 30 10 CJEE CCCCCCCCn1c(N)nc2ccc(Cl)c(C)c21 312703675 CCLOVAHDBUXQPV-UHFFFAOYSA-N 293.842 4.941 30 10 CJEE C=CCN(CCC)c1cccc(Cl)c1[C@@H](C)NCCC 313702062 SKZRHXMPGXATGN-CQSZACIVSA-N 294.870 4.803 30 10 CJEE CSCCS[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 319826305 CJPLPCLDIICEKA-OWCLPIDISA-N 291.485 4.559 30 10 CJEE CC(C)C1CCC(C#N)(CC#Cc2ccccc2)CC1 380238709 MCOCLZJGIFVHHQ-UHFFFAOYSA-N 265.400 4.784 30 10 CJEE CCCCCCCCCCNCCC1CCOCC1 382096571 NMMYLUAUDHJSFR-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE Cc1cc(C)nc(SC[C@@H](C#N)C2CCCCC2)c1 397121144 ICTLYRNICXCJKM-OAHLLOKOSA-N 274.433 4.511 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1ccc(CC#N)cc1 398997901 QUSSSKNXNFCRTC-UHFFFAOYSA-N 285.774 4.602 30 10 CJEE CCC(=CC(=O)c1c(F)cccc1OC(F)(F)F)CC 401035028 OGCJQNOBGQRUDE-UHFFFAOYSA-N 290.256 4.653 30 10 CJEE CCCCCCCCC[C@H](CC1(COC)CC1)NCC 401281402 IDDBUNBHJMCEEF-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CC(C)c1cnn([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c1 402070340 MXCAOLWVSPFUKM-CWRNSKLLSA-N 273.424 4.534 30 10 CJEE C=C[C@H]1CCCCN1C(=O)Nc1c(C)cccc1C(C)C 486783092 WRBMUJKKJLLABE-HNNXBMFYSA-N 286.419 4.691 30 10 CJEE C=C[C@H](CC(=O)N1CCCCC[C@@H]1CC)c1ccccc1 535396888 PJSSMHPZIKXCSJ-AEFFLSMTSA-N 285.431 4.528 30 10 CJEE 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CCSc1cccc(NCC[C@H](C)CC)c1C#N 696214890 FMHYUQXFSAUBLC-GFCCVEGCSA-N 262.422 4.518 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](COC)CC1=O 698730663 PLYCEZUCZSRFMG-JKSUJKDBSA-N 268.441 4.759 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 702366064 QFZVWWJRHZHPMO-CYBMUJFWSA-N 288.218 4.746 30 10 CJEE C=CCCC(C)(C)CNC1CCC(C(C)C)CC1 704037142 BPLRVABAEMRPGE-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 712896571 DTSGCUVVCRCCRX-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE CC(C)(C/N=C1/NC2(CCCCCC2)CS1)C1CCC1 713274164 IEBAAGSYSVLHIP-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](CN)C1 714090988 VBTXHBHEZVRFBV-SQNIBIBYSA-N 283.500 4.643 30 10 CJEE O=C(CCc1cc(Cl)cc(Cl)c1)C1=CCCC1 722133280 XWMQIKGZQRLCLE-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE C=C1CCC(CNc2ccc(OC(C)C)cc2)CC1 724554495 YDEDVWNJVKHYJH-UHFFFAOYSA-N 259.393 4.632 30 10 CJEE C=C1CCC(CC(=O)c2csc(C(C)C)n2)CC1 724591992 GWPYYACGMVKUFC-UHFFFAOYSA-N 263.406 4.586 30 10 CJEE 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CXIWQTSYOMPQSX-ZDUSSCGKSA-N 281.440 4.628 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335671015 AKZDKGCNUMPRJD-IINYFYTJSA-N 284.375 4.517 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)C(C)C 2337114115 NJHFVGLMQPRTIH-NXHRZFHOSA-N 257.421 4.718 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC1CC2(C1)CC(C)(C)C2 2337151269 NLCJDVSFZISIIA-HZPDHXFCSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCN1CC[C@](F)(C(F)F)C1 2337735629 FCSDLRIRIGHVNI-OAHLLOKOSA-N 279.390 4.806 30 10 CJEE CCCCCCC[C@H](C#Cc1cccs1)NCCC 2338244135 PEMJFINUIBNIIY-MRXNPFEDSA-N 277.477 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@H]21 2338735347 KOHAPPFWTJNLFA-TVFCKZIOSA-N 261.453 4.559 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2ccc(F)cc2C2CC2)C1 2339215612 WWWBMNMXFPMEGL-SJCJKPOMSA-N 257.352 4.576 30 10 CJEE C=C(c1ccccc1)[C@H](CCCCC1CC1)NCC 2341423786 RKHOOFXIRPQHFY-SFHVURJKSA-N 257.421 4.648 30 10 CJEE CCCCCCCOC[C@@](C)(CC)CN[C@@H](C)CC 2343149650 VPRHFIWDMNNFFP-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343370529 CXKOCOPLBBCVEI-HWMZRRJGSA-N 263.425 4.548 30 10 CJEE N#CC1(Cc2cccc(C3CCC3)c2)CCSCC1 2343809832 WGIKANORZUETIL-UHFFFAOYSA-N 271.429 4.534 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc2occc2c1 2344348805 NSXHMAVLJDJKMO-IAGOWNOFSA-N 257.377 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC#C[Si](C)(C)C)NCCC 2344370563 CQJPYJPFVSOIPW-IRXDYDNUSA-N 279.544 4.618 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(C2(C)CC2)cc1 2344397334 RSZTVQOVUFUERJ-IAGOWNOFSA-N 257.421 4.730 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@H]1CC(F)(F)C12CCC2 2344420966 OSRIXBWIVONZGH-GXTWGEPZSA-N 270.363 4.764 30 10 CJEE C=CC[C@@](C)(CC)C(=O)OC(CC(C)C)CC(C)C 2344470033 XGXASWGSYFSOFD-QGZVFWFLSA-N 268.441 4.983 30 10 CJEE C=CCC(CC=C)S[C@@](CC)(C(=O)O)[C@@H]1CC1(C)C 2351989761 JHLZMNNEPDNXND-CZUORRHYSA-N 282.449 4.520 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCC[C@@H]1C1CCCC1 2353837460 GHZLLRVLDHXVNK-NVXWUHKLSA-N 283.525 4.623 30 10 CJEE CCCOc1ccc([C@H](C)Nc2cccc(C#N)c2)cc1 21020198 GWYPGOQOCDSRSW-AWEZNQCLSA-N 280.371 4.520 30 10 CJEE N#CC[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 55022631 PMPGBDLKKIICQD-OAHLLOKOSA-N 275.323 4.712 30 10 CJEE COc1ccccc1[C@H](C#N)Cc1cccc2ccccc12 57739226 ZQIAOBBESSYHGI-KRWDZBQOSA-N 287.362 4.698 30 10 CJEE CCCCCCCCOc1ccc(C(C)=O)cc1OC 59089334 GGVROGGAYLNUHD-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCCOc1ccc(C(F)(F)F)cc1C#N 59211493 ZNCQZQBCWNZLDD-UHFFFAOYSA-N 285.309 4.926 30 10 CJEE Cc1ccc(Nc2cccc(Cl)c2C#N)cc1C 70138295 FXXYCCGZJLPDBI-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCOc1ccc(OCC)c(-c2cc(C#N)c(C(C)C)o2)c1 77079571 YSIKVLNVUQLJAG-UHFFFAOYSA-N 299.370 4.739 30 10 CJEE COc1ccc(C(=O)/C=C/c2ccccc2)cc1C(C)C 83201569 VNXTUNSLDLNIKQ-PKNBQFBNSA-N 280.367 4.715 30 10 CJEE N#Cc1cc2ccccc2nc1Nc1ccc(F)c(Cl)c1 83684613 XNANWSUBZQIIAP-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE N#C[C@]1(Cc2c(F)cccc2Cl)CCCc2ccccc21 87930040 KGFNHGDLWKZUKS-GOSISDBHSA-N 299.776 4.819 30 10 CJEE C=C(CC)C[C@@H](CSc1cccc(Cl)c1)NCC 90239334 JOCCJEBOXKZBTR-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CSc1ccc(C(=O)[C@@H](C#N)c2ccc(C)c(C)c2)cc1 92214257 QHAIRBYAYQFOQI-KRWDZBQOSA-N 295.407 4.515 30 10 CJEE Cc1ccc(C)c(OC[C@@H](CS)C(C)(C)C)c1C 94584275 SXPAYBHMGVDVLW-AWEZNQCLSA-N 266.450 4.583 30 10 CJEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102881163 QHHXQKOVHQDCKU-LLDVTBCESA-N 280.415 4.500 30 10 CJEE CCCCCCCN1C[C@@H](C)Nc2cc(C)ccc21 106596281 YAKSFWFWMKKNQH-OAHLLOKOSA-N 260.425 4.586 30 10 CJEE CCCCCCCCCCCCN[C@@H](CO)CC(C)C 110165170 HXVMKHSSZSEDFU-GOSISDBHSA-N 285.516 4.904 30 10 CJEE CCCCCCCC[C@H](CN)Cc1ccc(OC)cc1 110181059 WPLZPPZHUHPEIL-KRWDZBQOSA-N 277.452 4.563 30 10 CJEE CCCCCCCO[C@H]1CC(C)(C)CC[C@H]1NCCC 112847024 ISTVANZCOANKIS-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OC)c(OC)c1 112888773 WILBWDSRUQTTPG-INIZCTEOSA-N 293.451 4.844 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCC2=O 115071164 CFCFUIFLYITKMW-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CCCCCCCCCN1C[C@@H](C2CC2)NC[C@@]1(C)CC 115252929 CNWRLYUHNDWPKT-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](NC)[C@](C)(CC)N1CCCC1 118160772 FNBLJMXNQREKAZ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)c(C)c1 122198262 JCXGECXSHLQEOB-GOSISDBHSA-N 276.468 4.949 30 10 CJEE CC(C)(C#N)CCCNc1c(Cl)cc(F)cc1Cl 123274411 HTQYLFUUEWKOGW-UHFFFAOYSA-N 289.181 4.874 30 10 CJEE CCCCCCCCCCNc1nc(C2CC2)ns1 124879365 PCGURUXAQQTDEV-UHFFFAOYSA-N 281.469 4.968 30 10 CJEE Cc1cccc([C@H](C)Nc2cc(C#N)ccc2Cl)c1 125734070 DAOWXNAWSZXEKZ-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccc(CC)cn1 131945878 JTXNWWRXTYJODK-SFHVURJKSA-N 277.452 4.688 30 10 CJEE C=C(CN[C@H](C)c1cc(C)sc1C)c1ccccc1 134361374 HSUDYAAHTVZTSS-CQSZACIVSA-N 271.429 4.729 30 10 CJEE CCCCCCCC(=O)[C@H]1CSc2ccccc21 135413922 SIEIIHHCLRIVCZ-AWEZNQCLSA-N 262.418 4.806 30 10 CJEE CCCCCCCCOc1cc(OC)ccc1[C@H](C)NC 138458183 RCMOJRSPYHPHTA-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1csc2ccccc12 158965903 ZMDKAWAYDGZYQY-SFHVURJKSA-N 287.472 4.882 30 10 CJEE CN(c1ccc(C(F)(F)F)c(C#N)c1)C1CCCCCC1 164420248 QWXAALGJPKEHKL-UHFFFAOYSA-N 296.336 4.736 30 10 CJEE C=C(Cl)CN[C@H](CCC)c1ccc(Cl)cc1 167732763 SCDONRPACLBTPI-CYBMUJFWSA-N 258.192 4.523 30 10 CJEE CCCCCCCCO[C@H](CCC)CNCCC 211373088 XTYAMDCZCZDLOJ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCC[C@H](C)NC1CCC(C(C)(C)CC)CC1 228818420 CNWCCHXDBCZQAH-FHERZECASA-N 251.458 4.926 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](NC)c2ccc(F)cc2O1 229331590 VFNMUPZZDBWTDS-AEFFLSMTSA-N 293.426 4.988 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CCc2cccnc21 229822049 BSOHKLUSHKJOLW-QZTJIDSGSA-N 288.479 4.840 30 10 CJEE CCCCCCCCNc1cnc(Br)c(C)c1 232945351 BYUUKQPSFBBKBG-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE C[C@@H]1OCC[C@H]1SCCCCCCCCCS 235301354 QZLGWQMRFKCZQI-UONOGXRCSA-N 276.511 4.558 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(F)c2F)c(Cl)c1 235912444 MIJABHVDFISPQL-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CCCCCC[C@@H](N)c1c(F)cccc1Cl 236315554 IEENUOLHPNPLHY-CYBMUJFWSA-N 255.764 4.615 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)(F)F 294898896 MJGMMOCWMJGUDO-LBPRGKRZSA-N 295.373 4.768 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCC[C@H]1C(F)(F)F 300137183 LGXBVIZHLWQVLY-QWHCGFSZSA-N 274.326 4.815 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)CC(C)(C)C)C1 384509437 GOCXYGNUXWEGDJ-YLFCFFPRSA-N 278.484 4.851 30 10 CJEE CC(C)C1CCC(C#N)([C@@](C)(O)CC(C)(C)C)CC1 395022808 NRFBGIRQIVTSMI-WIHSUSGWSA-N 265.441 4.530 30 10 CJEE C=CCCc1ccccc1NC(=O)CC1=CCCCC1 410362935 DOOXUJIVCPNWCC-UHFFFAOYSA-N 269.388 4.634 30 10 CJEE COc1ccccc1[C@@H](C)SCc1ccc(C#N)cc1 573588792 YYLMPAZGACTKNF-CYBMUJFWSA-N 283.396 4.561 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@H](C)O[C@@H]1C 686433040 MHPPZKBLKMPPSM-HZMVEIRTSA-N 270.457 4.692 30 10 CJEE C#CCCCCC[C@H](NCCC)C(C(C)C)C(C)C 686679949 VXDRBYIZGYAKGB-KRWDZBQOSA-N 265.485 4.867 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnsc1 687184869 KJGYPSGNROXFDO-AWEZNQCLSA-N 255.427 4.707 30 10 CJEE C[C@@H]1CCC[C@@H](CC/N=C2/NC3(CCCC3)CCS2)C1 687319763 FGULLJVWSKBFLQ-CABCVRRESA-N 294.508 4.598 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1Cl 692238987 ICNWCIBJZVEGMV-WBMJQRKESA-N 281.802 4.704 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1(N)CCC1 695293405 GMNKGAXRTMMHHG-INIZCTEOSA-N 269.473 4.540 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCOC2CCCCC2)C1 701400058 XWVWSSZMWDAQCB-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](C)[C@@H]1CCCCO1 711851693 QKPFRZWEPJOIKB-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)cc(Cl)c1 715768035 HGCFHNRWPIYNEH-CZUORRHYSA-N 265.828 4.901 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CCC2(CCC2)O1 717749975 ORQZVYLDAZDMMS-CVEARBPZSA-N 268.441 4.590 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCC[C@H](C)C1 720398922 HMUCJJGEXIVVPC-JQHSSLGASA-N 277.452 4.818 30 10 CJEE C=CCCCCC[C@@]1(CNC(C)C)C[C@H](C)O[C@H](C)C1 724226632 KACNWQBNRNXNGW-PIIMJCKOSA-N 281.484 4.695 30 10 CJEE C=C1CCC(CN[C@H](C)c2cc3ccccc3o2)CC1 724451266 IUARVJAJABLVIH-CQSZACIVSA-N 269.388 4.830 30 10 CJEE C=C1CCC(C[C@@H](NCC)C(CC)(CC)OCC)CC1 724571845 WMAKUUXMRARWAZ-QGZVFWFLSA-N 281.484 4.696 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@H](C2CCCC2)CCS1 725089330 KVWWTOGRHCZURI-HOCLYGCPSA-N 296.524 4.843 30 10 CJEE N#Cc1sc2ccc(C(F)F)cc2c1OC(F)(F)F 725291210 FWFXVTDJIUNPED-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE CCCCCCCN1CCCC[C@@H]1c1nccs1 740876346 RWHQXGFFTDKIDH-CQSZACIVSA-N 266.454 4.641 30 10 CJEE CCOc1ccc(C=Nc2c(C)cc(C)cc2C)cc1 1084196973 MZPRQMVUVMHAEV-UHFFFAOYSA-N 267.372 4.761 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 1128087578 MLJYKBHUULUESZ-IRXDYDNUSA-N 299.458 4.605 30 10 CJEE C=CCN(C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(C)(C)C 1131324668 NNJVCOFCZWPYMW-CABCVRRESA-N 279.468 4.652 30 10 CJEE C=CCCC[C@H](NC(=O)c1cc(C)cs1)c1ccccc1 1133171194 DJLZJEILVKLDCB-INIZCTEOSA-N 299.439 4.884 30 10 CJEE C=C[C@@H](C(=O)N[C@H](CCC)c1ccccc1)c1ccccc1 1136050988 NNQGQLGJWUYNSB-RTBURBONSA-N 293.410 4.614 30 10 CJEE C=CCCC1(CNCc2ccccc2CC)CCCC1 1179142575 JNBSYQRVQXGUCB-UHFFFAOYSA-N 271.448 4.865 30 10 CJEE C=CCC[C@H](CC)NCc1cccc(Br)c1C 1182604951 OFERBADRPYKXOI-AWEZNQCLSA-N 296.252 4.592 30 10 CJEE CC1(C)CCC(C)(CNc2ncc(C#N)cc2Cl)CC1 1186712499 CUJWJEBGPLONME-UHFFFAOYSA-N 291.826 4.625 30 10 CJEE C=CC[C@@H]1CCCN(CCc2c(Cl)cccc2Cl)C1 1195947105 QNERZELIONOZHO-CYBMUJFWSA-N 298.257 4.824 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2cccc(Cl)c2)C1 1195947211 RIJKZYUYWBWNPU-KBPBESRZSA-N 263.812 4.689 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C)c3ccccc23)C1 1202831346 AOGWPUKBHMDKIT-FUHWJXTLSA-N 279.427 4.983 30 10 CJEE C=CCC1(NC[C@@H]2C(C)=CCC[C@@H]2C)CCCCC1 1205812480 JGGZWMVSTCUDJN-DLBZAZTESA-N 261.453 4.847 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC[C@H](C)C(C)(C)C2)c1 1220334564 AIGBOEAURZXVCT-AWEZNQCLSA-N 286.419 4.620 30 10 CJEE C=CCCCCCCCNC(=O)N[C@H]1CCCC[C@@H]1CC 1220835707 QCNBGMUKEMTYPF-IRXDYDNUSA-N 294.483 4.781 30 10 CJEE C=CCCC1(CNC(=O)NCC[C@H](C)CCC)CCCC1 1230927217 KTWVLRHLYJQZRQ-MRXNPFEDSA-N 294.483 4.639 30 10 CJEE C=C1C[C@H]2CC(NCC(C)(C)CC(F)(F)F)C[C@@H](C1)C2 1257889468 AOVNPUVRCUWGBY-PBWFPOADSA-N 289.385 4.690 30 10 CJEE CCCCCCCCC[C@H](C)NC1CC(F)(F)C1 1258230649 ZXBKMMAIBDTNOX-ZDUSSCGKSA-N 261.400 4.903 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)CC(C)(C)C1CCCCC1 1270903422 HJPRFTUOFSOISN-MRXNPFEDSA-N 277.452 4.550 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CCC)CCCC 1312182074 XKMAFXYKDVHXCO-IXDOHACOSA-N 294.483 4.779 30 10 CJEE C=CCC1(C(=O)NCc2ccc(C(C)C)cc2)CCCC1 1349966989 CXGZICLFELWPBL-UHFFFAOYSA-N 285.431 4.563 30 10 CJEE CC#CCCCC(=O)N(c1ccccc1)C1CCCCC1 1351295940 MAZMVUUZPDFCQG-UHFFFAOYSA-N 283.415 4.546 30 10 CJEE C=C[C@H](C(=O)N(CCC)CC1CCCCC1)c1ccccc1 1442087260 GIOOYKDHFMNQDQ-IBGZPJMESA-N 299.458 4.775 30 10 CJEE C=C(CC)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc12 1448128287 BQTHEVKKAVZYES-GFCCVEGCSA-N 287.790 4.637 30 10 CJEE C[C@@H](CS[C@H](C#N)C1CCCCC1)c1ccccc1 1459059629 CQRAGDNXAPVOBW-WMLDXEAASA-N 273.445 4.996 30 10 CJEE C=C(C)CN[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 1459863002 RZSOLBCWCBCNPF-OAHLLOKOSA-N 285.353 4.958 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](C)CC(C)C 1520346554 WNIYVLBLWIWPGG-KRWDZBQOSA-N 287.447 4.664 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc(C)c2ccccc12 1521537055 PMIIHVSTOMVKST-CQSZACIVSA-N 268.356 4.656 30 10 CJEE C=C(C)C(C)(C)C(=O)NCc1ccc(C2CCCCC2)cc1 1526598722 XWRYUKQZRJEMIM-UHFFFAOYSA-N 299.458 4.953 30 10 CJEE C=C(C)CCC(=O)NCC1(c2cccc(C)c2)CCCCC1 1534063115 NWFJRKHRWWZLCP-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE N#CC1(c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 1536114335 IGXBRZJYEXOFNJ-UHFFFAOYSA-N 287.284 4.928 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1nc(C(C)(C)C)co1 1559807700 NBAITLWPGFGRSS-UHFFFAOYSA-N 298.430 4.550 30 10 CJEE C#CC[C@@H]1CCCN([C@H](C)c2cc(Cl)ccc2Cl)C1 1559939244 LLZIJHOCNCQWNW-CHWSQXEVSA-N 296.241 4.790 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)CCC(C)C 1560883111 JZBGPGVATBTKGT-AEFFLSMTSA-N 259.437 4.588 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](CC)Cc1cccs1 1560883138 KTIJVGMXUUSRAQ-ROUUACIJSA-N 299.483 4.846 30 10 CJEE C=CCC(CC=C)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C 1584127896 ARXYKWXMDHLJPU-SFHVURJKSA-N 297.442 4.550 30 10 CJEE C=CCCCC(=O)Oc1c(Cl)ccc2ccccc12 1588239756 ORMAAKMJKAUIPP-UHFFFAOYSA-N 274.747 4.755 30 10 CJEE C=C(CC)CN1CCCCC[C@H]1c1cccc(C)c1 1615596314 YGFZWXNYOYNSRP-SFHVURJKSA-N 257.421 4.878 30 10 CJEE C#Cc1ccc(CNCc2c(CC)ccc3ccccc23)cc1 1621061747 ZQMQLLDZSUHUAP-UHFFFAOYSA-N 299.417 4.673 30 10 CJEE C#Cc1cccc(CN[C@H](CCC)CCc2ccccc2)c1 1621392232 QUHVSGCLKAVUQS-OAQYLSRUSA-N 291.438 4.559 30 10 CJEE C[C@@H](CSCc1cccc(C#N)c1)c1ccccc1 1641108761 HBJYSBSSAAPFMC-AWEZNQCLSA-N 267.397 4.595 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](CC)CCCC 1652654593 MLXGPALUMBDYFT-ROUUACIJSA-N 259.437 4.732 30 10 CJEE C#CC[C@H]1CCCN([C@H](C)c2ccc3ccccc3c2)C1 1654001574 INALCQPTUUHFLP-SJORKVTESA-N 277.411 4.636 30 10 CJEE Cc1ccc(C)c(S[C@@H](C#N)CCc2ccccc2)c1 1656064397 CMQPRCUNLJOFPE-QGZVFWFLSA-N 281.424 4.921 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC[C@H](C)c2ccccc2)C1 1657871348 JZWNJEOISFTMGO-LZLYRXPVSA-N 257.421 4.515 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CCCc2c(C)cccc21 1658617823 BJQFINZYRJXQLL-QAPCUYQASA-N 257.421 4.707 30 10 CJEE C#Cc1ccc(NCc2cc(Cl)ccc2Cl)cc1 1658729186 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281.484 4.517 30 10 CJEE C=CC1(C[C@@H](CCCCCCC)OCCCN)CCC1 2293529981 HWAXRLRBOJSYDQ-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1csc2ccccc12 2295155255 MPQBYWOQNJSCLF-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCC#CC[C@@H](Cc1ccc(Cl)c(F)c1)NCC 2295175207 KAAXEJZGASPNTM-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cc(F)ncc1F 2295587737 CQKJIZMJTNHAFK-MRXNPFEDSA-N 284.394 4.674 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1CC[C@H]1C 2295677796 DTKYGLWAYMOKNL-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCS[C@@H]1C[C@H](C)C[C@@](C#N)(NC(C)C)C1 2295693554 HHHCGHRPOURQTR-GVDBMIGSSA-N 296.524 4.749 30 10 CJEE C=CCC(CC=C)[C@H](N)c1c(C)cccc1Br 2301057504 JYXFARJZJPTIAM-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=C([C@@H](O)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2302213987 ZWTKBKMOCJEWNM-GFCCVEGCSA-N 277.166 4.768 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1C[C@H]1C1CC1 2312620909 GUJALGHBWLNDNS-YESZJQIVSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)Sc1ccc(Cl)cc1C[C@H](N)CC 2313531366 IQAVWZZEKBQTAL-SMDDNHRTSA-N 283.868 4.677 30 10 CJEE C=CCC(CC=C)Sc1nc(Cl)nc2ccsc12 2313629928 ZNRLIDPMZIJRLO-UHFFFAOYSA-N 296.848 4.958 30 10 CJEE C=CCC(CC=C)Sc1csc(CNC(C)C)c1 2313704506 LQWZWZQLXAAPFZ-UHFFFAOYSA-N 281.490 4.859 30 10 CJEE Cc1c(COC[C@@H](C#N)C(C)C)ccc(Cl)c1Cl 2317298057 HYVJNSAEELLVKS-GFCCVEGCSA-N 286.202 4.614 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(Cl)c1F 2321098757 MKKIRFLMDZKWSD-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE CCCOc1ccccc1C=CC(=O)c1ccc(C)c(C)c1 2322884606 KKZMJYOTWKEEAM-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE CCCCCC#CCN[C@H]1C[C@@H]2CCCCCC[C@@H]21 2333166356 CZHPLZIMLAOFMV-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC(F)(F)CC1(C)C 2337111805 OSTREOSNNMNHLY-HZSPNIEDSA-N 271.395 4.535 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2338904570 RNKBLUSGPRSLQI-BYNSBNAKSA-N 270.363 4.597 30 10 CJEE CCCCCCCN(C)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339367663 ARYPDZJIKMUSQL-KZNAEPCWSA-N 263.469 4.881 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ncc(C(C)(F)F)s1 2344335684 BQIIYCNCFNMKKA-ZYHUDNBSSA-N 288.407 4.508 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CCC(C(F)(F)F)CC1)NC 2344349560 ULZJJXMJJDXRIE-BLYZHGLHSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H](CC1CC1)C1CC1 2344371313 JEEYSOZNSMOQRJ-DLBZAZTESA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCCC(C)(C)C1 2352214837 NTKLSEOYZJJJHN-INIZCTEOSA-N 282.449 4.664 30 10 CJEE N#CC1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCC(F)(F)CC1 2352834443 GZNDLJUAKCQZCE-AOOOYVTPSA-N 281.268 4.684 30 10 CJEE CC(C)C[C@H](CS)COc1ccc2ccccc2c1 2353825957 DWLWFWUXYAUXMF-AWEZNQCLSA-N 274.429 4.811 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CCC[C@@H]3C[C@H]23)CC1 2354330206 GCXXCWXCZHFFOF-XWSJACJDSA-N 275.480 4.927 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354851911 ORABTYYVHHNGTL-FQLMCAECSA-N 279.374 4.922 30 10 CJEE C=C(C[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21)OC 2355181217 VQHQXENAAFSZCJ-XLAORIBOSA-N 279.468 4.511 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@H]1C)NCCC 2358323855 ZHKJAHCXUVVULF-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCC)[C@H](C)CC1CC1 2360338372 URGWDXPNTCCTLO-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE C#Cc1cccc(N[C@H](C)c2c(C)cc(C)cc2C)c1 20006755 VTLXXXROPHMCPT-MRXNPFEDSA-N 263.384 4.766 30 10 CJEE CC(C)(C#N)c1ccc(NCc2ccccc2Cl)cc1 36922168 MPIHDTGYLSLXMY-UHFFFAOYSA-N 284.790 4.753 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1cc(C#N)cc(F)c1C 37089258 IWJCPBYYJGXYOR-FZMZJTMJSA-N 262.372 4.633 30 10 CJEE CCC(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 54403299 YHXFONKLXNFQLZ-SNVBAGLBSA-N 284.186 4.606 30 10 CJEE CCC(C#N)(CC)CCCOc1cccc(C)c1C 57714559 SRLHXUOTQMLVSJ-UHFFFAOYSA-N 259.393 4.792 30 10 CJEE N#C[C@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 57724542 ZUTNFZAIGNLZGY-NSHDSACASA-N 294.156 4.982 30 10 CJEE COc1ccc(C(C)C)cc1C[C@@H](C#N)c1cccc(F)c1 57761248 LPXLOSPRZXNNCZ-KRWDZBQOSA-N 297.373 4.808 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 71159626 OWHZMAXNBUDFAV-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE C=CCSc1ccccc1NCc1cc(C)ccc1O 71408056 QQRLCSKALNVBBO-UHFFFAOYSA-N 285.412 4.591 30 10 CJEE CCN[C@H](C)c1ccc(SCc2cccc(C#N)c2)cc1 79581409 XBCRVVZFQAYVEZ-CQSZACIVSA-N 296.439 4.521 30 10 CJEE CCOc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 83201712 AIOWEDGTTRGWFN-MDZDMXLPSA-N 286.758 4.635 30 10 CJEE O=C1CCCC/C1=C\c1ccc(Cl)cc1Cl 84107364 CXQFDAKYAOXFRE-JXMROGBWSA-N 255.144 4.520 30 10 CJEE CC(C)c1ccc([S@](=O)[C@@H](CC#N)c2ccccc2)cc1 84260453 YPSCIBUKXYJHDN-GHTZIAJQSA-N 297.423 4.573 30 10 CJEE COc1ccc(Cl)cc1C1(C#N)CC(c2ccccc2)C1 86559248 HQLTXOSHBRLYRE-UHFFFAOYSA-N 297.785 4.688 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)CC1 86942431 CTXTXEUZOCGXPE-HZPDHXFCSA-N 286.419 4.750 30 10 CJEE CC(C)(C)C1CC(C#N)(SC2CCCCC2)C1 87147802 AKYLZOASXXYLJO-UHFFFAOYSA-N 251.439 4.771 30 10 CJEE CC1CCC(C#N)(Cc2ccc(C(F)(F)F)cc2)CC1 87930615 BPMBHWHUSLOHBU-UHFFFAOYSA-N 281.321 4.968 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc2ccccc12 92129531 CMWYWRQCEQDXAU-GOSISDBHSA-N 253.389 4.847 30 10 CJEE CC(C)(C)c1ccccc1OCC1(CS)CCCC1 94582478 OCRBKXPDYHTTAC-UHFFFAOYSA-N 278.461 4.853 30 10 CJEE CCCCCCCCOc1ccc(CNCC2CC2)cc1 100047289 CXYZWNNVCAWEHL-UHFFFAOYSA-N 289.463 4.926 30 10 CJEE CC(C)(C)C(=O)/C=C\Nc1ccc(Cl)c(Cl)c1 104911138 BCABDFHPPUMABD-SREVYHEPSA-N 272.175 4.534 30 10 CJEE CCCCCCCCNCc1ccc2ncccc2c1 105807571 OZKULCFWCPGKJS-UHFFFAOYSA-N 270.420 4.685 30 10 CJEE CCCCCCCCCCOc1cccc(C#CCN)c1 109751303 LAJYFLPKYLEVGB-UHFFFAOYSA-N 287.447 4.516 30 10 CJEE CCCCCCCCNc1c(C)nn(C(C)C)c1C 109916526 DMJNYIMDCMHVNG-UHFFFAOYSA-N 265.445 4.853 30 10 CJEE CCCCCCCCO[C@H](c1ccc(F)cc1)[C@H](C)N 109988700 JTMDCAOODWRDPA-YOEHRIQHSA-N 281.415 4.591 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(Cl)cc1C#N 110259884 NWHMUZQYHCSXCP-SMDDNHRTSA-N 263.768 4.559 30 10 CJEE C[C@H]1C[C@H](Oc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 110261820 ZADNXKMZDCFWOY-FZMZJTMJSA-N 277.795 4.805 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1CNC 113078632 UVILGJJVMFQKKO-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCCCN1CCNC(C)(C)C1 114054883 FUFXCRZOIZQHSB-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1Cc2ccccc21 114755705 OWZOHZXRWASBDD-QZTJIDSGSA-N 260.421 4.828 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CCCOC1 116141333 XMDIWDFJBPZZCK-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C[C@H]1CC(Oc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)C1 122419201 WIKHGZCEZQMSQQ-GHMZBOCLSA-N 297.320 4.781 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(C(C)(C)C)cc1)NN 122528288 UDEHWLYUJLFYEZ-SFHVURJKSA-N 290.495 4.719 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccc(F)cc2Cl)c1 123510801 PAQARSWHZASXIB-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1Cc2ccccc2O1 126431466 SWMILRYHQCFSFS-PKOBYXMFSA-N 289.463 4.719 30 10 CJEE CCCCCCCCCCNC[C@H](O)c1ccc(F)cc1 129387744 INNSSFCYFYNZOU-SFHVURJKSA-N 295.442 4.589 30 10 CJEE CCCCCCCCOc1cc(Cl)nc(C(C)C)n1 131482921 JUBSQNCWVOVKAH-UHFFFAOYSA-N 284.831 4.993 30 10 CJEE CCSc1cccc(Nc2cccc(C)c2)c1C#N 136615314 ONYWVZCMXOFDHI-UHFFFAOYSA-N 268.385 4.722 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCSC1 143445448 MNWRWUKTEGDXMR-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CCCCO1)NCC 158022444 WGRMJZFFGHBWJQ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCn1cc(C)nc1S 159181187 WCJIVNMIIBNSBG-UHFFFAOYSA-N 254.443 4.621 30 10 CJEE CCCCCCCCNc1cc(Cl)ccc1N 160771787 QSIGAXUBZLDHOE-UHFFFAOYSA-N 254.805 4.695 30 10 CJEE CCCCCC[C@@H](C)OCc1cc(F)cc(C#N)c1 163721435 RUBCXMVPOVUJEO-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE N#Cc1cc(Oc2ccccc2F)ccc1C(F)(F)F 164493396 MJKGCTSNYHMZBO-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OC(F)F)c1 168208806 HMWOVKXHBSPRPY-CQSZACIVSA-N 272.335 4.682 30 10 CJEE CCCc1c(-c2ccc(F)c(Cl)c2)sc(C#N)c1N 212967738 NKSWRVWFHPREPX-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CCCCCCCCNCCc1ccc(Cl)s1 226342061 QVSPWYRJIVXFKK-UHFFFAOYSA-N 273.873 4.894 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 230767390 PYLAFAHEKKJNFW-KGLIPLIRSA-N 274.383 4.714 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(F)c(F)c1F 233608699 IGMXTBZMRRNWSM-CQSZACIVSA-N 285.353 4.891 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1C[C@@H](N)CC 234022162 JHRBSMLKQKDDMA-INIZCTEOSA-N 295.854 4.745 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(CC)s1 234141949 OULCHUBIQRQADU-CQSZACIVSA-N 251.439 4.708 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 248927700 YXDMREDDSAGMAP-QILLFSRXSA-N 297.442 4.913 30 10 CJEE CC1CCC(N(C)[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)CC1 251945708 WJBOKGRWBCUVCL-HBWZYELFSA-N 290.495 4.851 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1[C@H]2CCCC[C@H]21 252898052 FFKHJNCLXHNGBH-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE Fc1ccc(N=C/C=C/C=C/Nc2ccc(F)cc2)cc1 254304271 WRTHMRUHGLIQNU-ZNCWWPBVSA-N 284.309 4.849 30 10 CJEE C[C@@H](C#N)c1ccc(OCc2ccccc2)c(Cl)c1 260552178 NJTKFLUCFTVMCW-LBPRGKRZSA-N 271.747 4.546 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cc(C)c(C#N)c(C)c1C 312420915 KJVQOSCGKSSOQP-NVXWUHKLSA-N 271.404 4.831 30 10 CJEE O=CC1([C@@H]2CCOC3(CCCCC3)C2)CCCCCC1 316620900 RZVJCGGHQGUGFB-MRXNPFEDSA-N 278.436 4.655 30 10 CJEE O=CC1(CCOCc2ccccc2)CCCCCCC1 317050320 XCFZHRLTBQRNNN-UHFFFAOYSA-N 274.404 4.523 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCCC(F)(F)C2)CC1 317587196 NZEKEXRTSHAVPM-SLTAFYQDSA-N 272.379 4.988 30 10 CJEE CCCCCCC[C@H](O)Cc1csc(Cl)c1 382257832 KKSVTDPXQNHQNC-LBPRGKRZSA-N 260.830 4.665 30 10 CJEE CCCCCCCCC[C@H]1NC(=O)[C@@H]1C1CCCCC1 385336725 RHLHXGNFNZGQLL-IAGOWNOFSA-N 279.468 4.822 30 10 CJEE N#C[C@@H](CSc1ccc(Cl)cc1Cl)C1CC1 397273283 YEXHUTVSDRSYEJ-VIFPVBQESA-N 272.200 4.635 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](C#N)C(C)(C)C 397485631 BGGLYSQNUZHQKP-TZMCWYRMSA-N 278.827 4.519 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(F)cc(C(F)(F)F)c1 398091994 YIPHBKXWSNAHFM-LLVKDONJSA-N 289.316 4.679 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnsc1 404738044 VDUBNFOIRCCMRV-HNNXBMFYSA-N 268.470 4.934 30 10 CJEE C[C@@](C#N)(Cc1cc(F)ccc1Cl)c1ccccc1 405697152 OJMKZUOPKLFPKE-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 464531672 VZMUKFFQMBBDGJ-BEFAXECRSA-N 297.442 4.657 30 10 CJEE C=CCC1(NC(=O)c2oc(C(F)F)cc2C)CCCCC1 627659200 DHXJIERBFOWTAQ-UHFFFAOYSA-N 297.345 4.534 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C(F)F)nc1 631684170 PGKJWPRYCRPQCC-LBPRGKRZSA-N 282.378 4.662 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(C)cc1F 686694133 VHLWWISTQGGCOD-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C#CCCCCC[C@@H](CSc1ccccc1)NCCC 686697616 QVQXIFHKDLIFBR-KRWDZBQOSA-N 289.488 4.731 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCCCC[C@@H]21 687979370 ODXBJZWVRYYACF-SJORKVTESA-N 283.525 4.911 30 10 CJEE CCC(CC)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316246 QBNASGQQZMBXKK-AWEZNQCLSA-N 265.441 4.530 30 10 CJEE Cc1cc(C#N)cnc1Nc1cc(Cl)c(C)c(Cl)c1 690318277 AGXHGYHUOATKGG-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCCCN[C@H](C)Cc1ccccn1 694013013 YEOIDZHKKNLZPA-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE Cc1cc(C)cc(CS[C@@H](C)CC(C)(C)C#N)c1 695880507 JQBHXVFLMYAFIV-AWEZNQCLSA-N 261.434 4.865 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 709385059 ZLJCMJZZCHYBDE-YPMHNXCESA-N 284.325 4.647 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc2ccccc2c1)NCC 710647218 YHRZNTDIQHBGSQ-QGZVFWFLSA-N 273.807 4.503 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccsc2Cl)C1 710929940 VAHMPZWYJNXUAM-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C[C@@H]1CC[C@H](C/N=C2/NC3(CCCCCCC3)CS2)C1 713202681 MIIANFYFBJWRFA-CABCVRRESA-N 294.508 4.598 30 10 CJEE CC(C)[C@H](/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713260992 CESWAPPQKNEZNA-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE C=C(CN[C@@H]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 714288917 FJJZWHBNADBGSQ-GBESFXJTSA-N 269.432 4.648 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)ccc(F)c1F 716437813 QVWUAHYFIIFEEA-ZDUSSCGKSA-N 273.342 4.725 30 10 CJEE C=CCCCc1cccc(Cl)c1Br 719430563 IGIGIZDMCLBGKK-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@@H](OC)C1)NCCC 722019386 OVJTXPDRJDYSLS-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CCCCN(C)c1c(Cl)cccc1CNC(C)(C)C 723149678 OKGGUKIELMOVTF-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cccc(F)c2C)CC1 724556677 AAGWTFUERBMZLT-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE N#Cc1ccc(C(F)F)c2c(C(F)(F)F)csc12 725277016 UKZHYPRBRCCQDZ-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc2ccccc12 1128598448 OMKRTMXSWZAQQX-OAHLLOKOSA-N 299.801 4.674 30 10 CJEE C=CC(C)(C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] 1164067303 LCRGHLVKMFARDE-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCO[C@@H](C)C1 1168144385 VXRZFQAUIUHHJM-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=CC[C@H](NCc1cc2ccccc2s1)c1ccncc1 1177884137 AMQPUNDVEUNNFO-KRWDZBQOSA-N 294.423 4.703 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H](Cc3ccccc3)C2)C1 1178519119 LAEWKLPXXYHUIF-RSPOEFSDSA-N 283.459 4.732 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 1183255837 FXIHAAFTFMSOGK-JKSUJKDBSA-N 289.463 4.769 30 10 CJEE C=CCC1(NC(=O)Nc2ccc(C)c(C)c2)CCCCC1 1214555190 VGBMIUGNJKEPIX-UHFFFAOYSA-N 286.419 4.704 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1nc(C)oc1C 1258227707 FNXDXJSEHAMYOS-CQSZACIVSA-N 280.456 4.910 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@]1(C)CCOC1 1258230882 DEOYXQTWAYNEKY-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)C(C)(C)C 1307761729 AJGPXRDABDKBEP-MRXNPFEDSA-N 291.483 4.524 30 10 CJEE C=CCCCNCc1ccc(-c2cccc(F)c2)s1 1308393694 SELUAVJVBWCNOH-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE C#CCCCCCCNC[C@@]1(c2ccccc2)CC1(C)C 1308876279 JJDZFIPXQXAOPG-HXUWFJFHSA-N 283.459 4.528 30 10 CJEE C=CCC[C@H](C(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1348561494 GLPDVRRRUSNUFN-IBGZPJMESA-N 294.394 4.959 30 10 CJEE C=C1CCC(C(=O)NC2CCC(c3ccccc3)CC2)CC1 1349967571 HTMHMLUOZBWDHN-UHFFFAOYSA-N 297.442 4.575 30 10 CJEE C=CCC1(C(=O)N(C)C2CCCCCC2)CCCCC1 1354389790 UUEUFOIEUMDVIV-UHFFFAOYSA-N 277.452 4.694 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCCCC 1437619395 IMJKWIUIBZDXBU-JKSUJKDBSA-N 265.441 4.598 30 10 CJEE C=CCCCCCN1CCCc2cccc(CC)c21 1459706141 ARNHZHZKEVQAMQ-UHFFFAOYSA-N 257.421 4.748 30 10 CJEE C=CC(C)(C)CNCc1ccccc1OCc1ccccc1 1461515747 QVWDRBGRJISCKQ-UHFFFAOYSA-N 295.426 4.567 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@@H](C)CC)c1ccccc1 1462500047 ANICCCTYFLUOBB-RDJZCZTQSA-N 273.420 4.636 30 10 CJEE C#CC[C@H]1CCCN(Cc2c(CC)ccc3ccccc23)C1 1473581940 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CJEE C=CCC[C@@H](C)Nc1cc(Cl)ccc1OCCC 228824470 SOJFQJXPNJIYRA-GFCCVEGCSA-N 267.800 4.895 30 10 CJEE CCCCCCCC[C@@H](N)CCCC(F)(F)F 229035022 DMZCWTTWWTUORG-GFCCVEGCSA-N 253.352 4.797 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@H](CC(C)C)C1 230779463 PWXIPBGKAFTMRL-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE CCCCCCCCCCNC1=N[C@@H]2CCC[C@H]2CS1 231342899 FMNRTYNKCIHBIJ-JKSUJKDBSA-N 296.524 4.988 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NCC)c(F)c1 232951343 NIKXOYOGNTWUQX-CQSZACIVSA-N 281.415 4.845 30 10 CJEE Cc1ccc(Oc2cc(C)cc(C)c2C)c(C#N)c1 235897594 QTFHAGQKYGMIFM-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCCCCCC2)cc1Cl 235902553 XCHDTZHJKQKJSC-MRXNPFEDSA-N 291.822 4.936 30 10 CJEE O=C(C=C1CCCCC1)Cc1cc(Cl)ccc1Cl 236052462 KZRRNXKVQAWRKP-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE CCOc1ccc(C=Nc2ccc3ccccc3c2)cc1 256560655 NKVZPSQBPHJWJI-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE CCOc1cc([C@H](C#N)CC)ccc1OCc1ccccc1 309915476 NWZHPHSHTMWOCR-INIZCTEOSA-N 295.382 4.681 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCC(F)(F)C1 310394290 YIZPWSIHUBFHPE-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cc2c(s1)CCCC2 311837317 GXXYRUKVZXMLBV-CYBMUJFWSA-N 277.477 4.880 30 10 CJEE CCCCCCC[C@@](C)(CN)N1C[C@@H](CC)CC[C@H]1C 312878646 VCCURJWVMSIAKG-SQNIBIBYSA-N 282.516 4.575 30 10 CJEE SCCCCCCCCCN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 313523901 MBUMAVKEDXVKIW-XLAORIBOSA-N 295.536 4.625 30 10 CJEE C=C(CNCCC)CSc1ccc(Cl)cc1Cl 322684940 PYIFPHYMFLDFSR-UHFFFAOYSA-N 290.259 4.641 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c2ccccc12)C1CC1 324001752 GENOKNGBWHLGIB-QGZVFWFLSA-N 264.372 4.702 30 10 CJEE CCCC1CCC(C#N)(C[C@H](O)CC2CCCC2)CC1 379936349 AVWQMDGWBLDOPZ-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1F 381736056 NRPHAZOJMHFSLR-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE CCCCCCCC[C@@H](NN)C(C1CCC1)C1CCC1 383700438 AVXMTYOHQOUPME-QGZVFWFLSA-N 280.500 4.785 30 10 CJEE CO[C@](C)(C[C@]1(C#N)CCCC[C@@H]1C)c1ccccc1 384843122 JLYGOLSWIUWQEG-JQHSSLGASA-N 271.404 4.658 30 10 CJEE CC(C)(C)c1ccc([C@H]2CC[C@@](C)(CC#N)O2)s1 386102601 KCDHQFYFLIQRFX-ABAIWWIYSA-N 263.406 4.569 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@@H]1CCC[C@@H](CC)C1 387638642 WPTSGYWGQIDYLK-KURKYZTESA-N 281.484 4.552 30 10 CJEE CCC(CC)(CC)C/N=C1/NCC(CC)(CC)CS1 391306305 WUDIKIPTWGAQAW-UHFFFAOYSA-N 284.513 4.702 30 10 CJEE CCCC[C@H](CCC)NC[C@H](C#N)C1CCCCC1 397317496 XHSKZHNSNCUWIU-IRXDYDNUSA-N 264.457 4.655 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)C[C@H](C)O 398598073 SVVIMZTUYVBMGU-MSOLQXFVSA-N 285.516 4.904 30 10 CJEE N#CCc1ccc(CNc2ccc3sccc3c2)cc1 399156412 BKCRQOIDKMXFMV-UHFFFAOYSA-N 278.380 4.579 30 10 CJEE Cc1ccc(C2=CC(=O)C[C@H](C)C2)c2ccccc12 400138119 VAUHUIQGJQMDAP-GFCCVEGCSA-N 250.341 4.531 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H]2CNC[C@@H]2C1 401065949 LKULCMRIZZNYJQ-IKGGRYGDSA-N 251.458 4.763 30 10 CJEE C=C(C)C[C@@H](C)c1nc(Cc2c(F)cccc2Cl)no1 567960692 WDOFXHDEQMIKBY-SNVBAGLBSA-N 294.757 4.523 30 10 CJEE CC/N=C(\Sc1ccccc1)N(CC)c1ccccc1 585669391 IJHXDISUKZJPIW-ZCXUNETKSA-N 284.428 4.681 30 10 CJEE CCCCCCCCC[C@@H](NN)C(C)(C)C(F)(F)F 690235652 CMRCRHFJJVKBOZ-GFCCVEGCSA-N 282.394 4.548 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)CC(F)(F)F 694029001 YUXOETNKHUFWLR-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=CCCCCCCNCC(C)(C)CC(F)(F)F 694044101 ZIXSTRUKBMWGLL-UHFFFAOYSA-N 265.363 4.691 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1ccc(C(C)(C)C)cc1 695817237 SBCNWBGDNGWAEU-CYBMUJFWSA-N 258.409 4.724 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1ccc2c(c1)CCC2 695889837 FRISFGAYKNLAFI-GFCCVEGCSA-N 259.418 4.596 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3C[C@@H](C)C[C@@H](C)C3)C[C@@H](C1)C2 697295912 KMKMDXNRHIXMQP-YXWHODPFSA-N 261.453 4.536 30 10 CJEE CCCCCCC[C@H](C)NCCC1SCCS1 703412338 NJWXXCQROVZNHG-ZDUSSCGKSA-N 275.527 4.521 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccccc1Br 704917722 QUFSQEVTCMBBFI-YRGRVCCFSA-N 292.220 4.883 30 10 CJEE CCCCCCCCOc1c(C)cc(Cl)cc1N 706419723 DEWDSSRGMHBCTL-UHFFFAOYSA-N 269.816 4.970 30 10 CJEE C=CC[C@@H](C)[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715008706 FUOHYURXVASVFD-PSDLTNOISA-N 262.437 4.556 30 10 CJEE CCCCCCCCCC[C@@](F)(CC)C1CNC1 716143149 AHSRYWKRRZLODD-INIZCTEOSA-N 257.437 4.855 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C1C[C@H](C)C[C@@H](C)C1 719378814 XWDOOAVQUIKDFT-RBSFLKMASA-N 251.458 4.639 30 10 CJEE C[C@H]1CCN(CC2(CS)CCCCCC2)C[C@H](C)C1 723765187 PQFUBRCKNCTFGG-JKSUJKDBSA-N 283.525 4.625 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724236865 UXGSAPXQGJQAEX-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(C)s2)CC1 724553983 QKNAWPXJUJLSKN-HNNXBMFYSA-N 263.450 4.844 30 10 CJEE C=CCCCCCCCNc1cccc(F)c1C#N 1163437812 YJBGTVQTAFXVPE-UHFFFAOYSA-N 260.356 4.636 30 10 CJEE C=CCCCCCN(C)Cc1c(F)cccc1CC 1180199804 YQJBDTKECTVGCZ-UHFFFAOYSA-N 263.400 4.566 30 10 CJEE N#CCCCCNC(C1CCCCC1)C1CCCCC1 1197266250 WCMHYKRQKMWEIA-UHFFFAOYSA-N 276.468 4.799 30 10 CJEE Cc1cc(CN2CCCC[C@@H]2CCC(C)C)ccc1C#N 1204640082 AGYQKMNTCMPQDE-LJQANCHMSA-N 284.447 4.657 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)c1ccc(C(C)(C)C)cc1 1264771656 UZRUGZPZPGYBGG-CQSZACIVSA-N 273.420 4.549 30 10 CJEE C=C(C)c1cccc(NC(=O)CC2(C)CCCC2)c1 1289567001 LCKPAAPBNDXVFO-UHFFFAOYSA-N 257.377 4.629 30 10 CJEE C=CCCCCCN(CC(C)C)c1cccc(O)c1 1307506640 FYLZXUGDGPBBEV-UHFFFAOYSA-N 261.409 4.601 30 10 CJEE Cc1cc2cc(CNc3cccc(C#N)c3)oc2cc1C 1308346304 FREBAKMNFYXJKY-UHFFFAOYSA-N 276.339 4.533 30 10 CJEE C#CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C1CC1 1308773402 JNBLVRSUYCLIEN-UHFFFAOYSA-N 295.813 4.605 30 10 CJEE C=CCCCCCCCN[C@H]1CCC[C@H]1C(C)C 1308804170 ZLIOXXLHUAFMOT-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=C[C@@H](CC(=O)NC[C@H](CC)CCCC)c1ccccc1 1347887087 DZNZJQRAFLTLFW-SJORKVTESA-N 287.447 4.679 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccccc1)C1CCCCC1 1355832267 YXXOWQVPADLPHM-MRXNPFEDSA-N 285.431 4.955 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC[C@H](CC)C1)c1ccccc1 1435394799 DLJWVOUFLIAOQF-PKOBYXMFSA-N 299.458 4.775 30 10 CJEE C=CCCC1(CNc2cc(C)sc2[N+](=O)[O-])CCCC1 1458482199 CHYOGLRSDHUSMI-UHFFFAOYSA-N 294.420 4.903 30 10 CJEE C=CCCc1ccccc1NCc1cccc(OC)c1F 1461467130 UDBSZVIXLNOAAV-UHFFFAOYSA-N 285.362 4.565 30 10 CJEE C=CCn1cc2ccc(NC[C@@H]3CCCC(C)(C)C3)cc2n1 1461782467 ZCCBIJCPCNLGAZ-OAHLLOKOSA-N 297.446 4.851 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc2ccccc2c1 1473664218 XSIPQACSHUZWJU-KDURUIRLSA-N 263.384 4.523 30 10 CJEE C=CCOc1cccc(CNCC2CCCCCCC2)c1 1473943752 NICJFFLZURRIFB-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCC[C@H](C(=O)N1CCCC(C)(C)CC1)c1ccccc1 1514601485 TXKSPWQQGCFAQP-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=C[C@H](CC(=O)N(CCCC)[C@@H](C)CC)c1ccccc1 1526093026 IOSMQDIQBXSIME-DLBZAZTESA-N 287.447 4.774 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](C)c1ccc(Cl)s1 1534588586 NFLGMKNRIWRYER-NSHDSACASA-N 299.867 4.614 30 10 CJEE C=CCCC1(CNC(=O)/C=C/C(=C\C)CC)CCCC1 1557476449 XKMCREADLAOWGM-TVLMAAOGSA-N 275.436 4.542 30 10 CJEE C=CCN(Cc1cccc(CC)c1)Cc1ccccc1F 1559495312 BFROZRXGZHJDME-UHFFFAOYSA-N 283.390 4.576 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C3CCC3)CC2)CCCC1 1583123648 SHHFOHVZASEQCO-QGZVFWFLSA-N 289.463 4.552 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 1583967896 OMFGLIDZRUYTTK-MRXNPFEDSA-N 295.426 4.682 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1584289984 ZJNLUKWEFCIFIT-IRXDYDNUSA-N 291.479 4.868 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C(/C)CCC)c1ccccc1 1598378964 BHDRCLANVBTDOW-ZPWFJYARSA-N 285.431 4.947 30 10 CJEE C#CCN(Cc1ccccc1)Cc1c(C)ccc2ccccc12 1617790948 DZLGVMBEXGFBSE-UHFFFAOYSA-N 299.417 4.784 30 10 CJEE C=C(C)c1cccc(N[C@H]2CCc3c(cccc3OC)C2)c1 1621556207 YJMZCWOCHIFWFM-SFHVURJKSA-N 293.410 4.698 30 10 CJEE C=C(CC)CN[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1644267920 OEHRXQVPXJTLAB-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE C=CCCCCCCNCc1coc(-c2ccccc2)n1 1651061123 RYYDIKRFVBJEHA-UHFFFAOYSA-N 284.403 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cnc2c(F)cccc2c1 1651322487 SVMGEXRELZHBQK-QAPCUYQASA-N 298.405 4.598 30 10 CJEE CC(C)(CC#N)CSCc1ccc(Br)cc1 1652411786 ICZXHYIKSXOCPZ-UHFFFAOYSA-N 298.249 4.622 30 10 CJEE C=CC[C@@H](NCc1cc(C(C)(C)C)oc1C)c1ccncc1 1656516928 XOTHCKBVLPFFEW-QGZVFWFLSA-N 298.430 4.688 30 10 CJEE C=CCN(CCCOc1cccc2ccccc12)C(C)C 1657088526 FEPHJHVVHWYAHM-UHFFFAOYSA-N 283.415 4.505 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C(C)C)C1 1660014509 KJWSKFSWRANJMB-VAMGGRTRSA-N 285.475 4.978 30 10 CJEE C=CCCC[C@@H](C)NCc1cnc(C2CCCC2)s1 1662044014 KQDUKUQWONZLCZ-CYBMUJFWSA-N 278.465 4.635 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(Cl)cc(C)c2OC)C1 1665274198 ZIPZFNNOUCTVSB-JSGCOSHPSA-N 279.811 4.814 30 10 CJEE C=CCCCCNC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C 1680326785 NZOKQHQNFSYZHT-HNNXBMFYSA-N 294.483 4.589 30 10 CJEE C[C@H]1CCCC/C1=N\OCc1cccc2ccccc12 1860467870 RDJIAYRMFHUZPA-HLAUDOPJSA-N 267.372 4.923 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@]2(C)CCCSC2)CC1 1879856698 HBUSYYRWPUNWOW-DLBZAZTESA-N 281.509 4.634 30 10 CJEE CC#CCCCC[C@@H](N)c1cc2cc(F)ccc2s1 1885264798 LWBFBFPWJXVPTP-CQSZACIVSA-N 275.392 4.624 30 10 CJEE C#CC[C@H](CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C1CC1 1887081043 GWFVCFNHCILCNN-DZOHQFGASA-N 262.437 4.513 30 10 CJEE CCCCCCCCCCN(CCCC)C1COC1 1889289098 UYBIUJPEKMMVCM-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H](C)c1ccccc1 1892495834 QEXOCIQPNXCEOB-SFHVURJKSA-N 279.427 4.868 30 10 CJEE C=C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1F)C1CCC1 1892957802 QULSPSXPZRZYLP-ZANVPECISA-N 285.765 4.624 30 10 CJEE C=CCCCCCCN(CCCOC)Cc1ccccc1 1906517817 JIOZQXBUGBNVIC-UHFFFAOYSA-N 289.463 4.662 30 10 CJEE CCCCCCCC(=O)C[C@@H]1C[C@H]1C(F)(F)F 1908753928 BHGDKEWULWZJRO-ZYHUDNBSSA-N 250.304 4.505 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1cccc(Cl)c1C 1913059010 IWBHHXGVZIYIFN-QGZVFWFLSA-N 279.855 4.629 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC2(CCCCC2)C1 1915882362 XISAWRKLZMWIOA-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CCCCCCC[S@@](=N)(=O)c1ccc(C)cc1C 1917903359 OWULQSDWZXECSX-GOSISDBHSA-N 267.438 4.680 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@@]12CCNC2 1918939369 JQKPWWWPNMXVTO-ROUUACIJSA-N 281.484 4.676 30 10 CJEE CCCCCCC[C@@](C)(N)c1cccc2ncccc12 1919514804 MIISBOOJCVUSOF-GOSISDBHSA-N 270.420 4.769 30 10 CJEE C=C(C(C)(C)C)[C@](C)(O)c1cccc(C(F)(F)F)c1 1919623880 SMJUEMVIYJJGLO-AWEZNQCLSA-N 272.310 4.515 30 10 CJEE 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CCCCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NC 2310385165 BOUJPRRPSWZHQW-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CCC(CC=C)[C@H](CC(CC)CC)NCCC 2316752256 MRPUZDCUTSMCTG-KRWDZBQOSA-N 251.458 4.949 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC1CC1)C1CC1 2320801008 FGFNQYRMDALSGL-DLBZAZTESA-N 252.442 4.924 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1CCC[C@@H](C)C1 2321112190 CYICGYKXDCAMFC-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(F)cc(Cl)c1 2321142036 SDZSZSHIDXJGRR-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1cccc(Cl)c1Cl 2321222561 BMRMQQYVLJGZHC-UKRRQHHQSA-N 287.230 4.889 30 10 CJEE C=CCC(C)(C)[C@@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2321228938 QNCFDXZFBWKQJE-JJXSEGSLSA-N 250.426 4.556 30 10 CJEE CCCCCCCCN=c1[nH]c(Cl)nc2cscc12 2335930205 HSTHOZRXNSIZBU-UHFFFAOYSA-N 297.855 4.539 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](CC(C)C)C1 2337111658 OBVHZKFCUFLXRY-TVFCKZIOSA-N 263.469 4.926 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](C)c1ccccc1 2338738645 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C=CC[C@H](C)[C@H](C[C@@H]1CC[C@@H]1C(F)(F)F)NCCC 2344336782 LPIAWGIORCAJHQ-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1C[C@H]1C1CCCCC1)NCC 2344345699 OIQBEEYJWWHSBT-RANZSIQMSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC=C(C)CCCC(C)C)NN 2344383055 QXWJTVGUDNQANU-MRXNPFEDSA-N 266.473 4.583 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1c(F)ccc(OC)c1Cl 2344463368 DVWZFBKCQPUAFJ-CABCVRRESA-N 286.774 4.514 30 10 CJEE CC1(C)CC[C@@H](CCOc2cc(Cl)ccc2C#N)C1 2344881237 LNIMCGOMBGUINE-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE CC(C)(C)OCCC[C@@]1(C=O)CCCCC12CCC2 2345389111 GUZDGRRIROLWNE-QGZVFWFLSA-N 266.425 4.511 30 10 CJEE CCCCCCCCN(C)[C@@](C)(O)CCCC(C)C 2347531967 GYZIVPYKUWDDMK-KRWDZBQOSA-N 271.489 4.814 30 10 CJEE Cc1cc(N=C2N[C@H](C3CCC(C)CC3)CS2)cs1 2351645348 HAKWYHFIRYUVCE-OVGLSYRBSA-N 294.489 4.575 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C[C@@H](CC)CCC 2353453068 DCQUGAKKSWOOOK-BBWFWOEESA-N 271.489 4.642 30 10 CJEE CCC1CCC(Nc2ccc(C#N)c(SC)c2)CC1 2353830506 MIPQIKINXXMGFU-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(F)cc1SC 2353834916 IOSUGQRJTMIJNM-OAHLLOKOSA-N 281.440 4.945 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(Cl)cc1C#N)C2 2354154991 GUVXPIPVYRQCEA-KMFMINBZSA-N 288.822 4.982 30 10 CJEE C=CCC(CC=C)S[C@H](C(C)C)[C@H](N)c1ccccc1 2360203498 ZJQQDMRBCURWCZ-QZTJIDSGSA-N 289.488 4.965 30 10 CJEE C=CC[C@@H](C)SCc1cc([C@@H](C)NC)ccc1OCC 2360207094 FJTOIOFCNVWKEJ-ZIAGYGMSSA-N 293.476 4.564 30 10 CJEE C=CC[C@@H](C)Sc1cc(NCCC)nc(C(C)(C)C)n1 2360208581 QOSGCQGODCAVOO-GFCCVEGCSA-N 293.480 4.653 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)ccc1[C@H](C)NCC 2360214783 MLFQJIWCDLWQRU-ZDUSSCGKSA-N 293.838 4.910 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(CCC)cc1 2360338448 VCCSGSALUYIXSP-SFHVURJKSA-N 289.488 4.893 30 10 CJEE C=CCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 2070461 XPPJQMRGWHABHR-SFQUDFHCSA-N 294.375 4.581 30 10 CJEE CCCc1ccc([C@@H](C)Nc2ccc(CC#N)cc2)cc1 37071407 HJJXOYWOPSCBEM-OAHLLOKOSA-N 278.399 4.878 30 10 CJEE Cc1ccc2sc(Nc3ccc(C#N)c(Cl)c3)nc2c1 37206895 IQNSPPDOCXKFEA-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CC[C@H](CC#N)N[C@H](c1ccccc1)C1CCCCC1 54182732 VMKJNMYLZIVQOE-QZTJIDSGSA-N 270.420 4.590 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)c2cc3ccccc3s2)c1 55332575 LHRIRKDCZWTGGU-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE CCCCCCCOC[C@H](N)c1c(C)cc(C)cc1C 59083332 SANKOMLNQDQHGQ-KRWDZBQOSA-N 277.452 4.599 30 10 CJEE CCCCCCCNc1cccc(C(=O)N(CC)CC)c1 59090582 CZPFJIVVPRWHRC-UHFFFAOYSA-N 290.451 4.551 30 10 CJEE Cc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1 59459988 OLPVNXGBKXFNOR-YBFXNURJSA-N 280.396 4.558 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)cc2Cl)s1 62791070 HEUQJWGTLWSICN-JTQLQIEISA-N 276.792 4.755 30 10 CJEE C[C@H]1CC[C@H](C)[C@H](Nc2ccc(C(C)(C)C#N)cc2)C1 68616469 FAHNHVHREIHTGO-GRDNDAEWSA-N 270.420 4.724 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cccc(OCCCC#N)c2)C1 71118596 AQGSKHPSIVPNAZ-CVEARBPZSA-N 286.419 4.750 30 10 CJEE Cc1cccc(N[C@](C)(C#N)c2ccc(F)cc2Cl)c1 78900444 YNXKVNFTEQKQTG-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(Cl)c(C#N)c1 94276490 ZUGWOZOCHNONHI-AWEZNQCLSA-N 262.784 4.592 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc(C3CC3)c2)C1 94525946 FHSNPQHFSQCELR-NIKGAXFTSA-N 283.415 4.708 30 10 CJEE C=CCCC[C@@H](CSc1ccccc1F)NCCC 97265856 NTUJSBPNLVCVOZ-AWEZNQCLSA-N 281.440 4.642 30 10 CJEE C=CCc1cccc([C@@H](C)N)c1OCCCCCCC 100133094 KVIYDBPQKJUSAV-OAHLLOKOSA-N 275.436 4.784 30 10 CJEE Cc1cc(C)c(/C=C\C(=O)/C=C\c2cccs2)c(C)c1 103044175 MBHCIXVITCMMBZ-VRHVFUOLSA-N 282.408 4.969 30 10 CJEE CCCCCCCCO[C@H](C)CNC1CCCCC1 104011193 SIQDSEWJBAXHLV-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)cc1)[C@@H](C)N 109988835 PZHZMFOJBQYCRD-AEFFLSMTSA-N 277.452 4.760 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC(C(C)(C)C)CC1 110026210 QXOQBRIJYOCPLB-IBGZPJMESA-N 296.543 4.822 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(C)ccc1/C(C)=N/O 111780369 FDQUZVZAGHLQBC-MZJAIECTSA-N 275.392 4.541 30 10 CJEE CCCCCCCn1ccc2ccc(CNC3CC3)cc21 112933826 URILJKZGVHMTGM-UHFFFAOYSA-N 284.447 4.864 30 10 CJEE CCCCCCCC[C@@H](C(=O)O)c1ccc(F)cc1 118852192 YLKQIUGXEWCZFW-OAHLLOKOSA-N 266.356 4.745 30 10 CJEE CCCCCCCCCCCCNC[C@@H](O)C(C)C 124783885 MICBPUSFQBDUQY-QGZVFWFLSA-N 271.489 4.514 30 10 CJEE C=CCC[C@H](C)Nc1ccc(C)cc1Br 131911990 XOJBTUZTJYZLPG-NSHDSACASA-N 268.198 4.524 30 10 CJEE CCSc1cccc(NCC(C2CC2)C2CC2)c1C#N 136675072 QTKPCPXWXKKNLB-UHFFFAOYSA-N 286.444 4.518 30 10 CJEE C=C(CNc1ccccc1C(F)(F)F)c1ccccc1 148001403 LTEAVPVAJHFLMM-UHFFFAOYSA-N 277.289 4.831 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC 156216873 ZWRNJOQQQGISJP-PMPSAXMXSA-N 251.458 4.641 30 10 CJEE C[C@@H](C[C@H](O)C1(C#N)CCCCCCC1)c1ccccc1 156815093 VZOZVEIBPDJDRY-WMZOPIPTSA-N 285.431 4.795 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(C)nc1 164780318 LMVZMJDCRNCFPO-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C=C(C)CCC[C@H](CNCC(C)C)c1ccccc1 164928095 BVQUOCVLPRHEIV-GOSISDBHSA-N 259.437 4.762 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@@H]1c1ccccc1 168351462 HJNIKDLZVSBSTA-SQNIBIBYSA-N 260.421 4.902 30 10 CJEE CCCCCCCCCCCOCCN[C@@H](C)CC 168773397 FTFCXRSVXOOORL-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C/C=C/[C@H](CCCCCCC)CC(=O)N(CC)CC 207058020 GTXPLCMSAIEGCV-MSXUNZPYSA-N 267.457 4.798 30 10 CJEE CCCC[C@@H](CC)COc1cc(F)ccc1/C(C)=N\O 215136136 LPIZNKPSMAUCFC-FDIDITGRSA-N 281.371 4.619 30 10 CJEE Cc1cc(Cl)ccc1Nc1c(C)cccc1C#N 220998388 KYAAGMCLTIKMBU-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCC(C)C 227926185 BCVFNQWPWCOXOY-GUDVDZBRSA-N 277.496 4.724 30 10 CJEE CCCCCCCCC[C@@H]1C(=O)Nc2ccccc21 232953710 RQVLDUYDLQFIDV-HNNXBMFYSA-N 259.393 4.863 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(C)cc1Cl 232960551 COHMXXPLXQSJDS-OAHLLOKOSA-N 268.832 4.513 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(SCC)cc1 233532865 PTAQXXJQSDLDCB-INIZCTEOSA-N 263.450 4.806 30 10 CJEE C=CCCCCC[C@H](Cc1cccc(Cl)c1)NC 234450672 KPPSSUQDLLUOET-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE CSc1ccccc1C(=O)C1=CCCCCCC1 235130339 DPBRILALDBHILQ-UHFFFAOYSA-N 260.402 4.872 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@@H](C#N)Nc2cccc(Cl)c2)C1 235396234 WLBXNWSGOISJKR-NORZTCDRSA-N 274.795 4.636 30 10 CJEE N#Cc1ccc(NCc2cc(F)cc(Cl)c2)c(Cl)c1 236219731 YAOCXURCMDMTOL-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCCCCC[C@H](O)CSC1CCCCC1 236535025 CORFLGUCSFHMME-AWEZNQCLSA-N 256.455 4.550 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@H]1CC(C)C 250815907 JFHURLZHUMHAGF-RTBURBONSA-N 296.543 4.836 30 10 CJEE C[C@H](CCS)CCO[C@H]1C[C@H](C)CC(C)(C)C1 252201652 WKNVZFLHXFYISK-IHRRRGAJSA-N 258.471 4.564 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253047324 QSEJQMRCZGTLLO-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE CC(C)n1c([C@@H](C)C#N)cc2cc(C(F)(F)F)ccc21 259913431 CJGRNHXYVOGXCU-JTQLQIEISA-N 280.293 4.868 30 10 CJEE Cc1cc(CC(C)(C)C#N)ccc1OCc1ccccc1 260306828 DCPASZNEECKZSC-UHFFFAOYSA-N 279.383 4.666 30 10 CJEE N#CCCCc1ccc(OCc2ccccc2)c(Cl)c1 260472855 WKQARUHBWXDNJR-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE CC1(C)Oc2c(cccc2C2(C#N)CCCCC2)S1 260552065 NIWRZUDUFWUHSL-UHFFFAOYSA-N 273.401 4.633 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 306092074 MFAVAOMNXZFWMU-HZSPNIEDSA-N 259.418 4.565 30 10 CJEE C=CCS[C@@H](C)[C@H](NCCC)c1ccc(CC)cc1 311480489 TXHDQNLPTDMJMH-YOEHRIQHSA-N 277.477 4.597 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)c(C)s1 311890446 WGQRNOAPHAFVIU-HNNXBMFYSA-N 277.477 4.845 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(C)c(F)c1 312102897 IMSCMRFAVBFBFW-HNNXBMFYSA-N 263.400 4.921 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1c(C)oc(C)c1C 312200215 FSNVDHYZFCURSO-INIZCTEOSA-N 275.436 4.685 30 10 CJEE CCC(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1 312229157 CGROIBUZHRCPQN-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C=CCC(C)(C)CNC1CCC(c2ccccc2)CC1 312580591 USWDGRJGOZYJSW-UHFFFAOYSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)CCCO1 314808202 BCRJGVXTDGPUKX-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccc(C(C)(C)C)cc1 316807033 PMCGSQGZPPSWHN-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCc2cccnc2)CC1 379957481 FTLTZCIHARUQAV-UHFFFAOYSA-N 270.420 4.760 30 10 CJEE C=CCSc1ccccc1NCc1csc(CC)n1 380840296 OFQLKEZDGSGZCM-UHFFFAOYSA-N 290.457 4.596 30 10 CJEE 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CJEE C=CC[C@H]1CCCC[C@H]1Nc1nsc2ccccc12 692226130 CIQXGYUCMIVGAP-GXTWGEPZSA-N 272.417 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 692227595 QPTIDZICYHJGRS-IUODEOHRSA-N 274.795 4.758 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 692240081 NDSRWYYMRJMMJI-YPMHNXCESA-N 269.841 4.626 30 10 CJEE CCN[C@H](C)c1ccc(S[C@@H](C)CC(C)(C)C#N)cc1 695776397 DGCQQKHHHZKOCR-UONOGXRCSA-N 290.476 4.778 30 10 CJEE CCC(C)(C)CCNc1ccc(C#N)cc1Br 696805658 KQDUYGQMOPYPOP-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(C)c3F)C[C@@H](C1)C2 700366766 DWJRHPHHQXDWMC-YIONKMFJSA-N 259.368 4.681 30 10 CJEE CCCCCCCCCC[C@H](NN)C1CC(C2CC2)C1 714392010 LKHZGTREUFTXFF-ABHNRTSZSA-N 280.500 4.785 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1(c2ccccc2)CCCC1 715751667 ZYORNYHVHHDJEK-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)NCCC 716939378 JWZQDYZJFZKRLZ-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=C(CC)C[C@H](NCC)c1cscc1C(F)F 717188601 DFSRIJUPWJQLBC-LBPRGKRZSA-N 259.365 4.693 30 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2110370465 DUKPXYNQDMMERA-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C[C@@H]1CC(C[C@@]2(C#N)CCCC(C)(C)C2)C[C@@H](C)O1 2112246795 XYWQLVTWMUOFPF-CPUCHLNUSA-N 263.425 4.690 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](O)CC#CC2CC2)CC1 2112454480 MJTBGQGSOIEBOF-KBAYOESNSA-N 262.437 4.538 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2csc(C(C)C)n2)C1 2113533882 QGNOTMPOXRHAIU-CZUORRHYSA-N 276.449 4.919 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CNc1cccc(Cl)c1C#N 2120036651 VMOLONYLBSJAMQ-OLZOCXBDSA-N 276.811 4.696 30 10 CJEE N#CC1(Cc2cccc(F)c2Cl)CCC2(CC1)CC2 2120103930 XTKZOXUOAYDELU-UHFFFAOYSA-N 277.770 4.886 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1ccc2sncc2c1 2120627743 MVDRTAAEBWPRLO-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE C=CCCCCn1ccc2cc(OCCC)ccc21 2123089757 VWUDHLGKZAOREW-UHFFFAOYSA-N 257.377 4.786 30 10 CJEE CC[C@@H]1CC=C(C(=O)CSc2ccc(F)cc2)CC1 2125223419 OQUKULCVOSFLPY-GFCCVEGCSA-N 278.392 4.623 30 10 CJEE C=C1CC(C[C@H](NCCC)c2ccc(C)cc2C)C1 2125730190 BFTZYNFVHABJMR-SFHVURJKSA-N 257.421 4.700 30 10 CJEE C=C(F)C[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC 2126112370 UVNAMYOFBNTFHI-RRQGHBQHSA-N 263.400 4.668 30 10 CJEE CC[C@](C#N)(C(C)C)[C@](C)(O)C1CCC(C)(C)CC1 2127926850 CBXPGJZPFPCJIF-SJORKVTESA-N 265.441 4.530 30 10 CJEE C=CC1(CN[C@@H]2CC(C)(C)CC[C@H]2C)CCCCC1 2132982165 YQVPKATYOUNPAE-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1C2C[C@@H]3C1[C@@H]3C2 2134471705 BXULGMVHCGMACH-LVRVARRCSA-N 264.453 4.780 30 10 CJEE CC(C)[C@H]1C[C@H]1CN(C)CCCCCCCCCS 2135476316 CGKFEVNXASDCAF-DLBZAZTESA-N 285.541 4.871 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1C[C@@H]1C1CCCC1 2135565728 DURPEDUNWODQTM-XDNAFOTISA-N 261.453 4.537 30 10 CJEE CCCCCC#CC[C@H](O)Cc1ccc(Cl)cc1Cl 2138954630 ODVXTBCXBIJCPP-HNNXBMFYSA-N 299.241 4.871 30 10 CJEE CCCCC#CC[C@@H](N)C1CCC(C(C)(C)C)CC1 2138959287 QLXHFXORQIMJTC-OFLPRAFFSA-N 263.469 4.750 30 10 CJEE CCCCCC#CCNc1cccc(SC(F)F)c1 2138960390 ZRKTWKILSDJSOU-UHFFFAOYSA-N 283.387 4.997 30 10 CJEE CCCC#CCC[C@H](NCCC)c1ccccc1Cl 2138983415 GAJBLOZTZZUASC-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE C=CCCCCCCOc1ccc(C)cc1[C@@H](C)N 2141915258 ZUPXYWSHWBBBCG-OAHLLOKOSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCN1CCC[C@@](C)(C(F)(F)F)C1 2141923620 OIHGFCFEUUEULD-CQSZACIVSA-N 277.374 4.787 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@]12C=C[C@@H](CC1)C2 2142440894 USBXHKSUXQORBA-KSZLIROESA-N 261.453 4.977 30 10 CJEE C#C[C@@H]1CC[C@H](NCCCCCCCCCC=C)C1 2142448170 MEODEYOHPWGVQV-MSOLQXFVSA-N 261.453 4.685 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(C2CC2)cc1 2145765399 XLNFLEUHJSDWBY-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1COc1cc(Cl)ccc1C#N 2145877050 IIRXKFZAVTXOPT-WHOFXGATSA-N 289.806 4.663 30 10 CJEE CSc1cccc(N(C)CC2(C)CC(C)(C)C2)c1C#N 2145894834 ZGCFCOPZLKMDSF-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE CCCCCCCCC(=O)[C@](C)(O)c1ccccc1Cl 2147007744 YUOTWJUECDUYHT-QGZVFWFLSA-N 296.838 4.867 30 10 CJEE CCCCCCCCCC(=O)C1(O)C[C@H](C)C[C@@H](C)C1 2147055802 NXOXROGOHVWGPV-HZPDHXFCSA-N 282.468 4.883 30 10 CJEE C=CCC[C@](C)(O)[C@H](C[C@H](CC)CCCC)NCCC 2148601074 MYMJMMQTMGWQHO-SQNIBIBYSA-N 283.500 4.678 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1cccc(Cl)c1C 2149857151 FWIILQLAODFRTO-GOSISDBHSA-N 289.850 4.883 30 10 CJEE C=CCCCCC[C@]1(N)CC(C)(C)Oc2ccccc21 2154636514 CWCRQUKYNFVORW-SFHVURJKSA-N 273.420 4.538 30 10 CJEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(OC(F)F)cc2)C1 2155210562 NMJHYAPIUYGNAX-JSGCOSHPSA-N 279.330 4.721 30 10 CJEE C=CCNCC[C@@H](O)CCCCCCCCCCCC 2155519149 NMRCTCNLVIDOSG-SFHVURJKSA-N 283.500 4.824 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1 2157089676 GKNAOAVKQZMFMT-IAGOWNOFSA-N 281.484 4.552 30 10 CJEE CCC[C@@H]1CCC[C@H](N=C2N[C@@H]3CCC[C@H]3CS2)CC1 2159461614 HDDSWHLKFVOEKJ-FXUDXRNXSA-N 294.508 4.597 30 10 CJEE C=CCOc1ccc([C@@H](CCCC(C)C)NCC)cc1 2164113644 MTGVGHAVVWWYCH-GOSISDBHSA-N 275.436 4.728 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cc(F)cc(C(F)(F)F)c1 2164141945 WPWSAZDEOBHOQN-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE C=C([C@H](NCCC)c1ccc([C@H]2C[C@H]2C)o1)C(F)(F)F 2164205413 UUMKCDFNUJZWHW-PUYPPJJSSA-N 287.325 4.562 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc2ccccc2cn1 2164227314 ISGLEWBQWUJMSE-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2nc(C)ccc2c1 2164255341 QCABIKLAYOSTRQ-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C(F)(F)F 2166125058 BFVFCROMFZTYCQ-XQLPTFJDSA-N 289.385 4.690 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CC2(CC2)CO1 2166447398 AFUZITVKLWRILG-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@](C)(O)c2ccc(Cl)cc2)C1 2168548410 OWFPYFUSUGKTKV-DLBZAZTESA-N 291.822 4.658 30 10 CJEE CCCCC[C@H]1CC[C@H](C(=O)[C@@H](C#N)C2CCC2)CC1 2168699037 VSYGDUZWCSTQNX-XIRDDKMYSA-N 275.436 4.882 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@H]1CCCCC(F)(F)C1 2168915922 SAIPETQKWMJCES-NSHDSACASA-N 298.764 4.839 30 10 CJEE CC[C@H](C)n1ccc(C[C@@]2(C#N)CCCCC2(C)C)n1 2173635444 RIQMLIBUIZHALY-WMLDXEAASA-N 273.424 4.507 30 10 CJEE CC1(C)CCCC[C@@H]1CN=C1NC[C@@H](C(C)(C)C)CS1 2173646979 ZULRCSVGANJKIB-ZIAGYGMSSA-N 296.524 4.558 30 10 CJEE CC1CCC(C=O)(Cc2ccccc2C(C)(C)C)CC1 2174278648 OBPZIXAELAEDDO-UHFFFAOYSA-N 272.432 4.922 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CC(C)(CC)C2)C1 2179351674 XMARYVZDSISCHV-VHVZWYKPSA-N 276.468 4.605 30 10 CJEE COc1cccc(C(=O)C2=CC[C@H](C(C)C)CC2)c1C 2181633659 BNUWQOUXEVWPLM-AWEZNQCLSA-N 272.388 4.569 30 10 CJEE CCCCCCCCCCNCc1noc(CC)c1C 2183590142 JKNGBQCFYZIGBO-UHFFFAOYSA-N 280.456 4.776 30 10 CJEE CCCCCCC[C@@H](NC)C1CC2(C1)C(F)(F)C21CC1 2183944565 SKZLJPTVHYMQBC-NPCAHTBFSA-N 285.422 4.760 30 10 CJEE C=CC1(CNCc2cccc3ccccc23)CCCC1 2189508548 HISVSQSKTSOODR-UHFFFAOYSA-N 265.400 4.676 30 10 CJEE N#C[C@@]1(C[C@@H]2CC3(CCCCC3)O2)CCCCC12CC2 2189584258 VOQOCDVDHRQTMQ-WBVHZDCISA-N 273.420 4.732 30 10 CJEE CCSc1cccc(NCC2(CC3CC3)CC2)c1C#N 2189886650 PBKWNWXPCRZYLK-UHFFFAOYSA-N 286.444 4.662 30 10 CJEE CCCCN(C[C@](C=O)(CC)C(C)C)c1ccccc1 2190480184 ZFXUNUMLGFJTKA-SFHVURJKSA-N 275.436 4.544 30 10 CJEE C=C1CCC(C[C@H](C[C@H](C)P(C)(C)=O)NCCC)CC1 2192520095 SWTYWUMHNJAXMH-RDJZCZTQSA-N 299.439 4.892 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2N[C@@H](C(C)C)CCS2)CC1 2192869452 MUVOKVXIXKQOMY-BZUAXINKSA-N 296.524 4.700 30 10 CJEE C=C(CN(C)CC1CC(C(C)(C)C)C1)c1ccccc1 2195525409 NLSZIYFTWLGYKZ-UHFFFAOYSA-N 271.448 4.704 30 10 CJEE CC#CCCCCC[C@H](NCCC)c1ccc(F)cc1 2196170987 FEOKZSYCWNAAJE-SFHVURJKSA-N 275.411 4.840 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1O 2196171445 JMDISTMXPXAEMX-IPMKNSEASA-N 270.416 4.515 30 10 CJEE CC#CCCCC[C@H](NCCC)C1(F)CC2(CCC2)C1 2196171933 NSKHSTRCMHKFPX-INIZCTEOSA-N 279.443 4.611 30 10 CJEE CCCCCCCCN(C)[C@H](CN)CCCCCCC 2196737580 RYDKUMVLPMEQSD-SFHVURJKSA-N 284.532 4.967 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H]1CC(C)=C[C@H](C)C1 2197155045 MEYXJRDDXGZDOV-JVPBZIDWSA-N 269.432 4.670 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@H]1C[C@@H]1C1CCOCC1 2200489873 MFCUENIYNJGWAS-JFIYKMOQSA-N 275.436 4.549 30 10 CJEE CCCCC#CC[C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2203806238 BQKDGILADRYDAJ-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE CCCCC#CCC[C@@H](NCCC)c1ccccc1F 2203806300 CGHQMYPKTLBBEX-GOSISDBHSA-N 275.411 4.840 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1CCCC(F)(F)CC1 2203823144 NFCURSXWHVJWLO-CVEARBPZSA-N 285.422 4.764 30 10 CJEE C#C[C@@H](NCC1CC(C)(C)CC(C)(C)C1)C1CCCC1 2204034868 WCGDXWYAVAASDT-QGZVFWFLSA-N 275.480 4.621 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1C[C@@H]2COC[C@@H](C2)C1 2206938821 ZTAHWBUHJDIVHG-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@](C)(O)CC(C)C 2207388684 ANUCHBOEODCIDA-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@H]1C[C@H](COC)C[C@@H]1O 2207403759 PIKIGTLKJDAKLF-BZSNNMDCSA-N 282.468 4.717 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1CCO[C@H](C)C1 2207427759 PQIMDSAQFVYHAL-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CO[C@H](C2CC2)C1 2207428665 BIDDIXRZJXYJTL-ROUUACIJSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CC[C@@]12CCCO2 2207438817 SRHLWCWSELGQNC-MSOLQXFVSA-N 279.468 4.724 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H]1C[C@H]1CCC 2207439198 ALOPCSQKSPNKKK-SQNIBIBYSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCNC[C@@H]1[C@H]2CCC(F)(F)[C@H]21 2207442174 OSTGTTXNKGYNIQ-BZUAXINKSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCCCCOC[C@@H]1CC[C@H](C)NC1 2207446851 GOGAVEQGSPMWSQ-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCC1CCCC1)NC 2207452235 YADCRTWHWGWZIH-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCCC(C)C)NCC 2207453712 OUAICUJHXXKVRL-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCCCCN[C@@H]1CCCN(C(C)(C)C)C1 2207455556 DXRJCDLHMURZIR-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)c1cc(C)ccc1Cl 2207460357 ZDQKNGNMSZWONC-IRXDYDNUSA-N 297.870 4.760 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCCCC2CC2)C1 2214544333 GFJVYEBKTVQHRP-BPLDGKMQSA-N 251.439 4.628 30 10 CJEE C=CCCCCCCC[C@]1(O)CCS[C@H](C)C1 2214617313 HEACAOWBTUBXTA-CABCVRRESA-N 256.455 4.550 30 10 CJEE C=C(C)CC[C@H](C)NCc1sc(C)c(C)c1C 2215534615 ASHLNEYLLYDPGY-NSHDSACASA-N 251.439 4.508 30 10 CJEE C=C(C)CCCN[C@@H](C)c1cc(C)cc(Cl)c1 2216173780 YHYDFBCUIOQHOV-ZDUSSCGKSA-N 251.801 4.655 30 10 CJEE CCCCCCCNCCCC(F)(F)C(F)(F)F 2223708392 BBLFFYKNLBWFPW-UHFFFAOYSA-N 275.305 4.524 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NC 2227267589 HXYVANAXIHNWFE-BSDSXHPESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cnc(C2CC2)s1 2227274673 WMBOSISEJQCFPR-CQSZACIVSA-N 279.449 4.971 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H](C)[C@@H](NC)C1 2230980718 FQFBPYTYTGJEPD-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](NC)[C@@]1(C)CC 2231028194 ZWIPSIYNOXGLBS-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2ccc(C3CCC3)cc2)C1 2231592696 ABSLCDCYOPUXPB-RDTXWAMCSA-N 256.389 4.502 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1coc2ccccc12 2232347360 FAHDEOBQGFRPFZ-DYVFJYSZSA-N 253.345 4.695 30 10 CJEE CCCCCCCCCCC[C@H](N)c1ncc(F)cn1 2233025323 ILXZSULBRDTUGF-HNNXBMFYSA-N 281.419 4.536 30 10 CJEE N#Cc1ccc(NC[C@@H]2C[C@H]3CCC[C@H](C3)C2)cc1Cl 2233696917 KXZBYSCTERWXMV-WDNDVIMCSA-N 288.822 4.840 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233715252 IZYGXZXBZIMYNZ-FFHOCLHESA-N 273.464 4.776 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1cccc(C(C)(C)C)c1 2233784200 ZYEIMQNSFBMSAH-QGZVFWFLSA-N 271.448 4.684 30 10 CJEE C=CCCCCCCCCOc1cc(C)nc(C#N)c1 2234041172 JKUXBAAWSXFWCR-UHFFFAOYSA-N 272.392 4.557 30 10 CJEE C[C@H]1CCC[C@@]2(CSC(=NCCCCCC3CC3)N2)C1 2234191487 LFUVIXSARGZIMF-YOEHRIQHSA-N 294.508 4.598 30 10 CJEE CCc1nc(SCCCCCC2CC2)c(C#N)cc1C 2235471393 RMASHXOHMWQNPV-UHFFFAOYSA-N 288.460 4.887 30 10 CJEE C=CCCCCCCC[C@H](N)COc1ccc(Cl)cc1 2235525245 ABMGMZZBHOBHLZ-INIZCTEOSA-N 295.854 4.963 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(SC)cc1 2235538578 JFMPUSPUYFWWDX-QGZVFWFLSA-N 292.492 4.830 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)C[C@@H](C)CC[C@H]1C 2235542579 UFLGUJJRDQNQOU-JZXOWHBKSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCN(C)Cc1cnc(OCC)s1 2239933157 SLRMWZHTGKFVEL-UHFFFAOYSA-N 296.480 4.500 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@@H]1CCC[C@H]1C(F)(F)F 2240166569 CTSCYHOSGSZCAA-BARDWOONSA-N 291.401 4.936 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(C2CCC2)cc1 2240351140 YUPOQACSCYTVPE-GOSISDBHSA-N 269.432 4.654 30 10 CJEE CCCCCCCC[C@@H](C)n1cc(CN)c(C(F)F)n1 2240564317 BGVGRPOZZZDJEY-GFCCVEGCSA-N 287.398 4.591 30 10 CJEE C=CCCCCC[C@@H](O)c1csc(Cl)c1OC 2248518014 XPZJIOFNYFJJGX-LLVKDONJSA-N 274.813 4.580 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C1=CC(=O)C[C@H](C)C1 2248799326 RXFRKSOKVJCKAH-MRVPVSSYSA-N 269.171 4.684 30 10 CJEE C=CCCCSc1sccc1CNC(C)(C)C 2250058368 BEWGDSAABZAHLH-UHFFFAOYSA-N 269.479 4.695 30 10 CJEE C=C(C)CCCC[C@](O)(CC)CCC(F)(F)F 2250149653 FLWOBCIYERBRLM-GFCCVEGCSA-N 252.320 4.607 30 10 CJEE C[C@H]1CC[C@H](CSc2cc(Cl)c(C#N)cc2F)C1 2256669264 MWSFVHYHBZDTLP-UWVGGRQHSA-N 283.799 4.879 30 10 CJEE C=CCCCSCc1ccc([C@H](C)NCC)cc1 2258979428 VAVVJGGGLQEWSS-AWEZNQCLSA-N 263.450 4.557 30 10 CJEE C=CCCCS[C@H](C)C(=O)c1ccc(CC)cc1 2258996352 NCTGNYRIQIPMDO-CYBMUJFWSA-N 262.418 4.520 30 10 CJEE C=C(C)CCCCNC[C@H]1CCC[C@@H](CC)CC1 2259213228 UAIDDASDOMLQRZ-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=C([C@@H](NC)C1CC(CC(C)(C)C)C1)C(C)(C)C 2261204027 CFBYYUISUPNIAE-YMAMQOFZSA-N 251.458 4.639 30 10 CJEE C=CC1(C[C@@H]2[C@H](O)C(C)(C)CCC2(C)C)CCC1 2261450923 RAQHNAHAQSSUCI-KGLIPLIRSA-N 250.426 4.556 30 10 CJEE C[C@@H]1C[C@@](C=O)(CC[C@@H]2CCCCC23CC3)CCS1 2264933788 FBDJBCPGLBFPMA-OWCLPIDISA-N 280.477 4.838 30 10 CJEE C=CCCCCCCCC[C@H](O)Cc1csnc1C 2265473101 WPFRQPAAMJTKEW-INIZCTEOSA-N 281.465 4.662 30 10 CJEE CC(C)(C)C#CC=CCC1(O)CC(C)(C)C(C)(C)C1 2268736626 CHKOZOPMDBDYCC-UHFFFAOYSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(C#N)CCCC12CCC2 2268738464 JSXOSFUSYYIWGQ-SFHVURJKSA-N 255.405 4.846 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@]1(CC)CC1(F)F 2271781945 SQLQWUUOUNLVBD-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cncc(Cl)c1 2271792000 QTRQMRLUCDVMAR-MRXNPFEDSA-N 280.843 4.912 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]2C1 2271796224 DLUDBVFCUQJOLK-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C#CC1(NCCCCCCCCC=C)CC(C)(C)C1 2272598250 KIUODBHRVSMLAZ-UHFFFAOYSA-N 261.453 4.685 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C#N)CCOC2(C)C)C1 2274358927 QXVPSZKJWBJXCZ-MQBCKMQZSA-N 263.425 4.548 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@@H](C)CC(C)C 2276781500 HDJZXWUCWJPYSX-DLBZAZTESA-N 271.489 4.763 30 10 CJEE C=C(CC)CNc1ccc(Cc2ccccc2)cc1 2277461712 LGWQESKKMYCQHZ-UHFFFAOYSA-N 251.373 4.656 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H](C(C)C)CO1 2278126473 DDTZNBOCXWYAED-IAGOWNOFSA-N 269.473 4.735 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CC(F)(F)C23CCC3)CC1 2280884606 KHFWIMBGULQAIB-HUUCEWRRSA-N 283.406 4.536 30 10 CJEE C=CC[C@@H](C)Oc1cc(C)c(CN[C@@H](C)CC)c(C)c1 2282945751 GXLOWSCXTZHUBT-JKSUJKDBSA-N 275.436 4.535 30 10 CJEE COc1c(Cl)cccc1C(=O)CC#CC1CCCCC1 2283203983 KAEZJUNXZPAFLD-UHFFFAOYSA-N 290.790 4.505 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCC(F)(F)C2)cc1 2283543343 OHKXSLAXZXWNAV-INIZCTEOSA-N 280.358 4.576 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@]12CCC[C@@H]1C2 2284154572 BQCYOVMLYUQBQZ-ZHALLVOQSA-N 273.464 4.541 30 10 CJEE C[C@H]1CCN(CC=CC#CC(C)(C)C)c2ccccc21 2284179412 HELYQFLKLVGLEH-INIZCTEOSA-N 267.416 4.606 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@@H]1CN[C@H](C)C1 2285673921 DZRDBFIMCONYRT-IAGOWNOFSA-N 279.468 4.641 30 10 CJEE C=CCn1c(C2CCCC2)nc([C@H](CC)CCC)c1N 2287647579 YMGHXQSFRIGDQN-CYBMUJFWSA-N 275.440 4.603 30 10 CJEE C=C[C@@H](C)CCNC1c2ccccc2-c2ccccc21 2288904198 CAVNOAOJCHAGLV-CQSZACIVSA-N 263.384 4.558 30 10 CJEE CCC[C@H](C)C(=O)[C@H](C#N)c1cccc(C(C)(C)C)c1 2290189729 FDBNBSYEGZBPBC-XJKSGUPXSA-N 271.404 4.597 30 10 CJEE C=C(C)CCCC[C@H](OCCN)C1CC(C(C)(C)C)C1 2292770024 OUBMSFPWJAHBAZ-JCYILVPMSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C1(CC)CC1 2292795318 GVTXEBRPNHCGMA-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE CC1(C)OC(C)(C)C(=Cc2c(Cl)cccc2Cl)C1=O 2293031490 OQSPICKVUKFYHJ-UHFFFAOYSA-N 299.197 4.533 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1CCC[C@H]1F 2293152118 WCXLBWSHVAVERE-BBWFWOEESA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](OCCN)C1=CCC(C)(C)CC1 2293291414 HBHGXBSPGJUKMS-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1scc(C)c1C 2294019184 USPZEPDJZKJKOR-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1CC1(F)F)OCCN 2294044358 JFEWSDLFOYALHG-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE C=CCC[C@@H](C)[C@](OCCCN)(c1cccs1)C(C)C 2294211144 BNITWGWSYIMPHI-WBVHZDCISA-N 295.492 4.567 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1nc(C2CC2)ns1 2295583098 LFBXAYDGTHXNKB-MRXNPFEDSA-N 296.480 4.764 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 2295674508 RRHFCUUNQNLUGL-HZPDHXFCSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CN(C)C)C(C)C 2295691221 JPUQOHSXHXEFMF-ROUUACIJSA-N 284.532 4.691 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](C)N1CCCC1 2295692453 WXAKXMDGYKOIQT-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE Cc1ccc(NC=CC(=O)c2ccc(F)cc2)cc1Cl 2297533031 DAPFTWZRDUOAFK-UHFFFAOYSA-N 289.737 4.596 30 10 CJEE C=CCC[C@H](C)C(=O)c1c(F)ccc(C)c1Cl 2299146378 BPPRWIJYNOGSIU-JTQLQIEISA-N 254.732 4.573 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](C)SC 2299414382 WZIKDCLFIRAQEX-GJZGRUSLSA-N 257.487 4.762 30 10 CJEE C=CC[C@H](C)S[C@H](c1ccccc1Cl)[C@@H](N)CC 2313525708 ZOVVTFQLRQPMFU-TUKIKUTGSA-N 283.868 4.816 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@@H](SC)C1 2314311543 HKRCDWLOOZWTPX-XHSDSOJGSA-N 271.514 4.857 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H]1CCC(C)(C)C1 2319071162 GDZSGXCNRRVGTD-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CC1=C(C)C[C@@H](Nc2cc(Cl)ccc2C#N)CC1 2320374723 JDOLBNNJHAFFDF-AWEZNQCLSA-N 260.768 4.512 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)c(Cl)cc1C 2321101851 MHNMKJRACZETNG-HOTGVXAUSA-N 265.828 4.949 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CC1(C)C)NCCC 2321108401 PFUHHWAPTUHIQS-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1(C(C)(F)F)CCC1 2321218925 CTNUESAYZRYJJU-CHWSQXEVSA-N 260.368 4.555 30 10 CJEE CC(C)(C)[C@](C)(CS)COC1CC2(CCCC2)C1 2327118218 HHZHPQUYIZVZLH-HNNXBMFYSA-N 270.482 4.708 30 10 CJEE CC(C)C[C@H](CS)COCC1CCCCCCC1 2328527603 JSAMZCSUFYEMPQ-INIZCTEOSA-N 272.498 4.956 30 10 CJEE CCC(=NOCC(C)C)c1ccc(C(C)(C)C)cc1 2330263444 WJJUJYBJAODYBV-UHFFFAOYSA-N 261.409 4.771 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)C[C@@H]1C[C@H]1C1CCCCC1 2332783557 CZUARNOITZVZHW-LEUOFYLZSA-N 262.437 4.988 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2C[C@H]2C2CCCCC2)CC1 2332811976 SVHWSOXHKPPFTD-JQFCIGGWSA-N 260.421 4.908 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NC 2333706200 HXYVANAXIHNWFE-XWTMOSNGSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCCC[C@H]1OC 2333961835 QUOSJCVBZAFTGK-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE C=CCC(CC=C)Sc1cccc(SCC)c1CN 2335101674 XOBCNRNOMQKQSY-UHFFFAOYSA-N 293.501 4.870 30 10 CJEE CCCCCCCCC[C@H](C#CCSC)NCCC 2336187861 JZTJZXUHDONROT-QGZVFWFLSA-N 283.525 4.862 30 10 CJEE O[C@@H](C#CC1CC1)c1ccc(-c2ccccc2Cl)s1 2337413696 WBBNUZKRAABPDN-AWEZNQCLSA-N 288.799 4.515 30 10 CJEE C=CCC(CC=C)[C@@H]1CCC(C)(C)[C@@H](NCCC)C1 2338659615 IIZUKNSSQIFDST-SJORKVTESA-N 263.469 4.949 30 10 CJEE CCCCCCCNCC(C)(C)Cc1ccccc1 2339398793 KUYWIIDSBZZWND-UHFFFAOYSA-N 261.453 4.815 30 10 CJEE C=C(C)C[C@H](C[C@H]1C[C@H]1c1ccccc1)NCCC 2341925493 ZYKMKFAJBHWYRE-KSZLIROESA-N 257.421 4.515 30 10 CJEE C=CC1(CN(C)Cc2cccc(C(C)C)c2)CCC1 2343783556 HFSOYYZJZRTWSG-UHFFFAOYSA-N 257.421 4.598 30 10 CJEE C#Cc1c(F)cc(NCc2cc(C)c(Cl)s2)cc1F 2344191149 MDZUPIVIDFZVCQ-UHFFFAOYSA-N 297.757 4.582 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C(F)F)cc1 2344383406 SBDNPYOGCGATPE-ZBFHGGJFSA-N 267.363 4.877 30 10 CJEE CC(C)C1CC(CN(C)C[C@@](C)(CS)C(C)(C)C)C1 2352072794 PMOQFHIWWWXDGN-DQPZFDDXSA-N 285.541 4.583 30 10 CJEE C=CC[C@@H](C)S[C@](C)(C(=O)O)C1CCC(CC)CC1 2352220190 DPXQCIBCLZQWSJ-WOICTCIZSA-N 284.465 4.744 30 10 CJEE C#CC[C@@H](C[C@@H](O)c1c(Cl)cc(C)cc1Cl)C1CC1 2353082544 DWJZBSOYNSATQU-SWLSCSKDSA-N 297.225 4.775 30 10 CJEE CCCCCCc1ccc(C2=CC(=O)CCC2)cc1 2353094016 NXVYMSZLYYLMLY-UHFFFAOYSA-N 256.389 4.946 30 10 CJEE CSc1cc(Oc2cc(F)ccc2C)ccc1C#N 2353823861 GWQHPYGMMXVRLQ-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CSc1cc(Nc2ccccc2SC)ccc1C#N 2353838584 WTKDKTZSZQKGOX-UHFFFAOYSA-N 286.425 4.746 30 10 CJEE N#Cc1cccc(NC[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354885901 PNJRYRABOULOHS-JZXOWHBKSA-N 268.404 4.577 30 10 CJEE C=C(c1ccccc1)[C@@H](N)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2357492452 RZZXEGLPMCYJSG-CADBVGFASA-N 269.432 4.634 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CC[C@@H]1C[C@@H]1C)NCCC 2358707678 KCRLCEDWDQUUPA-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@]12CCC[C@@H]1CC2 2359768676 PFVXPMYQSVZDMS-GUDVDZBRSA-N 275.480 4.909 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@]23C[C@H](CO2)C3(C)C)CC1 2359777134 ORISWLOFVYWYKD-OLMNPRSZSA-N 275.436 4.692 30 10 CJEE C=CCOc1ccccc1NC(=O)c1ccc(C(C)C)cc1 10451697 XYAILEUCRXZEKV-UHFFFAOYSA-N 295.382 4.627 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1csc2ccccc12 42891310 NSCZCCVADJCXTQ-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048385 SPSUUTHTHKGEHA-MGPQQGTHSA-N 285.416 4.503 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(C)cc1 59526172 JVXCLULOAAAWCB-OAHLLOKOSA-N 262.393 4.553 30 10 CJEE C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CC[C@H]1C 84987181 NCYYPLBMWOGGDI-HLLBOEOZSA-N 286.419 4.606 30 10 CJEE CC(C)[C@H](CS)COc1cc(Cl)cc(Cl)c1 87080682 OQIGIGHBYBKMJA-VIFPVBQESA-N 279.232 4.574 30 10 CJEE N#C[C@@]1(Cc2ccccc2Cl)CCCc2ccccc21 87930125 AFVOGCZLGZVZLI-SFHVURJKSA-N 281.786 4.680 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CSc3ccccc32)C1 92297210 ABEMLAMCHGISHL-CKEIUWERSA-N 271.429 4.986 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)CCCCCCS 94579656 HUJSYNLPXXAERK-ZDUSSCGKSA-N 285.884 4.823 30 10 CJEE CCCCN(CCCCCCS)c1ccccc1 94581691 KXIJCKCFAOQCBL-UHFFFAOYSA-N 265.466 4.783 30 10 CJEE CC(C)c1ccccc1OC[C@H](CS)C(C)(C)C 94583163 GUHXCVOMAOARPW-CYBMUJFWSA-N 266.450 4.781 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981716 ZWQAJDKMVQMLLK-BLLLJJGKSA-N 276.449 4.703 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 97219406 YKHCCSHRHCKFMG-RHSMWYFYSA-N 295.854 4.832 30 10 CJEE CCCCCCCCOCc1cc([C@H](C)N)ccc1OC 103019600 HEKCPWYZJDTHMH-HNNXBMFYSA-N 293.451 4.592 30 10 CJEE CCCCCCC[C@](CC)(C(=O)O)c1ccccc1 103942944 PDTPGUNBUCKGQB-KRWDZBQOSA-N 262.393 4.780 30 10 CJEE CCCCCCCOc1cc(-c2nccs2)ccc1N 106590153 VQLJXXURCWWFKN-UHFFFAOYSA-N 290.432 4.742 30 10 CJEE C=CC[C@@H](CC)c1ccc(C)cc1Br 107497915 SJBFKJWMPCSKJC-LLVKDONJSA-N 253.183 4.827 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(Cl)c(C)cc1OC 107620101 RRVHIYSUYDAXRY-YPMHNXCESA-N 264.796 4.810 30 10 CJEE CCCOc1c(C)cc(C)cc1[C@H](C)CCS 107664580 VCSDMGLSBQDGBD-GFCCVEGCSA-N 252.423 4.516 30 10 CJEE ClC12C[C@H]3C[C@@H](C1)CC(C/N=C\c1cccs1)(C3)C2 108084249 MVXMYQQXZQKDID-ZKFVOSCTSA-N 293.863 4.745 30 10 CJEE CCN(c1cccc(C)c1)c1ccc(C#N)c(Cl)c1 110254656 DOHDHGPKKXHQME-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1ccccc1OC 112634906 DEHYABIPMQVRQP-KRWDZBQOSA-N 291.479 4.824 30 10 CJEE CCCCCCCn1ccc2c(CNC3CC3)cccc21 113832517 NSUVODYQIGMYRD-UHFFFAOYSA-N 284.447 4.864 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1cccs1 115063693 IIWAHNYPMYGYBD-ZDUSSCGKSA-N 263.406 4.675 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1CCC 115232540 LFLMYFRFMSVUDF-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)c(C)cc1N 115854695 AEQKYZZUXUPAML-UHFFFAOYSA-N 276.424 4.575 30 10 CJEE CCCCCCC[C@@H](C(=O)O)c1ccccc1Cl 118861737 CYRZXOWFZQXYJZ-CYBMUJFWSA-N 268.784 4.869 30 10 CJEE N#Cc1cc(Cl)nc(Oc2ccc3ccccc3c2)c1 122561884 AVWPGGYJIFMIBV-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCCCNCc1ccn(CC)c1 124755922 PKZPBQYDDYAORN-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1cccc(C#N)c1N 125747183 RCMMEXKTCLRNGS-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CC[C@@H](Nc1c(F)cc(C#N)cc1F)C1CCCCC1 126980719 YPZDHMHBHHFQOX-OAHLLOKOSA-N 278.346 4.607 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCNC1 131685080 CFNMCRAFQRNWMC-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCCC(CS)(CCC)COc1ccc(C#N)c(F)c1 133531343 NVJSOOJMTFEQJS-UHFFFAOYSA-N 295.423 4.593 30 10 CJEE C=CC[C@H](C)c1ccccc1C(=O)N(C(C)C)C(C)C 139344124 PNEYBYDCSQEUOF-HNNXBMFYSA-N 273.420 4.625 30 10 CJEE Cc1cccc(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164494186 FYKKVDXWURXCSX-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165722707 FGXIULLSPVFHNY-CVEARBPZSA-N 265.441 4.530 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](OC)C1CCCCC1 167287696 QRBMOVIZYUFOHD-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](Cc1ccc2c(c1)CCC2)NC 167483201 YHJZSYDLSGKEMU-IBGZPJMESA-N 273.464 4.666 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C 185655178 IJAIPJNBKDOWEP-YJBOKZPZSA-N 285.431 4.569 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(Cl)cc1Cl 203460633 FNTDQNADDYNJCK-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C(C)(C)CC)C1 225981293 RKJNAHZKFFWBBW-XHSDSOJGSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCCNC[C@@H](O)CC(C)(C)C 226099453 REYVKHYFOPXOBC-INIZCTEOSA-N 271.489 4.514 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H](C)CCN 226508939 UALOHZPLXKMQKR-INIZCTEOSA-N 269.473 4.851 30 10 CJEE CC1(C)CCCC[C@H]1C(=O)[C@H](C#N)c1ccccc1Cl 226593886 PYHFDUJXZMVTFB-KGLIPLIRSA-N 289.806 4.733 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 230774094 AYGNDNWKJYRBKE-BBRMVZONSA-N 274.383 4.714 30 10 CJEE CC[C@@H](C)c1ccc(Oc2nccc(C#N)c2Cl)cc1 232342227 OPHTVNMSGNIBIC-LLVKDONJSA-N 286.762 4.912 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H](SC)C1 232948826 RDVIXDHLLGARPB-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE C=CCCCCC[C@@H](CCc1cccnc1)NCCC 233124135 VZYCPTRSXSTXQN-SFHVURJKSA-N 274.452 4.519 30 10 CJEE CCC[C@H](C)[C@@H](C#N)Sc1cccc(Cl)c1 233353144 WTCOWQQBQNSRMC-GXFFZTMASA-N 253.798 4.760 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 236032019 VQKDCQGKWJPOLA-RBSFLKMASA-N 288.822 4.982 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccccc2F)C1 251595818 KDCTVHVZHTWIKV-ATNYBXOESA-N 288.410 4.537 30 10 CJEE C=C(CC)C[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC 253041572 LLSUJHAXNRQTGC-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE ON=C1CCCCCC[C@H]1SC1CCCCC1 254703290 SHAVGMFALXYJKX-CQSZACIVSA-N 255.427 4.605 30 10 CJEE CSc1cc(CCCC#N)cc(SC)c1SC 260476064 WPSNNDLVZVTDNH-UHFFFAOYSA-N 283.487 4.699 30 10 CJEE CC(C)(F)c1c(F)cccc1C1(C#N)CCCCC1 260591387 NZDNKYPXZJMTAM-UHFFFAOYSA-N 263.331 4.756 30 10 CJEE COc1c(C)ccc(C(C)C)c1[C@@H](CC#N)C1CC1 260922248 ZLPILQYBSFVWRZ-HNNXBMFYSA-N 257.377 4.534 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCC[C@H](CC)C1 300258627 YAQPGWANNNLHBF-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CC(C)(C)CCCOc1ccc(Br)cc1C#N 304160698 WOSLDIUEZCIQDD-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE Cc1cc(Nc2cccc(C)c2Cl)ccc1C#N 305976962 HKZNKNJVMCNPEM-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC(C)c1ccc([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 306675422 SMDVGLDQWSPZGW-HZPDHXFCSA-N 286.224 4.760 30 10 CJEE CCCCCCC[C@@H](C)NCC1(CC)CCOCC1 311617984 GRHBKDLRTFIPPW-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE CC(C)(C)C1CCC(C#N)(c2ncc(Cl)cc2F)CC1 312320764 XKHZSCNBSFHYGL-UHFFFAOYSA-N 294.801 4.872 30 10 CJEE CCCCCCCCOc1nc(CNCC(C)C)cs1 312333116 KHFKWLUFJHCSQD-UHFFFAOYSA-N 298.496 4.628 30 10 CJEE C=CCCCC1(CNCCC)CCC(C)(C)CC1 317929253 YHOZKHWKRVXTJN-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(CC)C[C@@]1(CNCCC)CCC[C@@H](CC)C1 319282599 MRBBERHSSHMIOL-SJORKVTESA-N 251.458 4.929 30 10 CJEE CCCCCCCCCC[C@H](CN1CCC1)NCCC 328146591 DARPLQBIGPCZNB-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=C(CC)CNc1ccc(OCc2ccccc2)cc1 381775391 VQKIIPOUPPWANX-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE C[C@@H](CC(C)(C)C)N(C)CC1(CS)CCCCC1 384499263 OSPUVCFTTMVQKS-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE CCC[C@](C#N)(Nc1ccccc1C)[C@@H]1CC1(C)C 397669239 HMKPVGBQOMODNK-NVXWUHKLSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H](C)CC(F)(F)F 402588597 ZZIDSIQULMARHT-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE C=C(C)CCSCc1ncc(-c2cccs2)o1 507082693 SCUXTBFFAYCNFI-UHFFFAOYSA-N 265.403 4.603 30 10 CJEE CCCC[C@@H](CC)CNc1ccc(Cl)c(C#N)c1 690185291 RBGRMCQDKWZJTL-GFCCVEGCSA-N 264.800 4.840 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCCCC[C@@H]1C(C)C 691134380 GTYOZAFVXUKVST-BBWFWOEESA-N 251.458 4.926 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCOCC2CCCC2)C1 693046204 FJHOWAYWDKPPDF-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE CN(c1cccc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 693074704 IJHGPVHRRBDWRU-UHFFFAOYSA-N 270.420 4.599 30 10 CJEE CCCCCCCCCC[C@H](O)C1(NC)CCCCC1 695946961 TUWGSMQTQDFPEL-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE CN([C@@H]1CCCC(C)(C)CC1)[C@@H]1CCCCC[C@@H]1C#N 697844565 REQBJJIXVUSWAI-BRWVUGGUSA-N 276.468 4.750 30 10 CJEE CCCCCCCN[C@@H](C)CCCC(F)(F)F 703749624 XTEPHFQRVRZACP-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)[C@@]12CCCC[C@H]1C2 709205769 RULWFJSMVZSBMT-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE C[C@@H]1CC[C@H](/N=C2/NC3(CCCCCC3)CS2)C[C@H]1C 713212386 CGNVYFQGGXBGPI-KFWWJZLASA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@H](NC)C1CC2(CSC2)C1 718358158 HUSYXVHKBGQMTA-MRXNPFEDSA-N 283.525 4.858 30 10 CJEE CCCCCCCc1nc(C(C)(C)C)c(C(=O)OC)s1 720981017 HMYBRBNVYHMESG-UHFFFAOYSA-N 297.464 4.740 30 10 CJEE CCCCCCCCCC[C@]1(N)C[C@H](C)O[C@H](C)C1 724280068 XFWNGNXZKQXRBA-BJWYYQGGSA-N 269.473 4.802 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCCC2(C)C)CC1 724616987 KABLFSGNEUVJEH-SJORKVTESA-N 263.469 4.927 30 10 CJEE CCc1csc2c(CC#N)ccc(C(F)(F)F)c12 725302902 ZEPHVNSYSSWJEF-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1coc2ccccc12 821996180 FTUMEZNMCXLIML-PBHICJAKSA-N 269.388 4.657 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)CC2CCCCC2)CCCCC1 1128606176 CDMBOVMOKRDUCQ-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 1134515962 YSXAEDMCGPPCJP-GFCCVEGCSA-N 298.213 4.564 30 10 CJEE CCCCCCCCN1CCC([C@@H]2CCCCO2)CC1 1174624003 WTSWNFFUOFXBGB-SFHVURJKSA-N 281.484 4.628 30 10 CJEE C=CCCCCCN(C)CCOc1ccc(F)cc1Cl 1191130965 BSKXEERSZLITFK-UHFFFAOYSA-N 299.817 4.536 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1CCCC(C)(C)C1 1203339502 OCCNIDVXQAOWRN-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc([C@@H](C)CC)cc1 1288552494 STGZYWVTEVRERH-HNNXBMFYSA-N 287.447 4.922 30 10 CJEE C=CCN(Cc1cc(Cl)cs1)CC1CCCCC1 1308634757 RDBIVSOQBGOIQN-UHFFFAOYSA-N 283.868 4.970 30 10 CJEE C=CCCCCCCNC[C@H](C)c1ccc(F)cc1 1308755607 UPAVWMLMRSUFIV-HNNXBMFYSA-N 263.400 4.655 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(C)c(Cl)c1 1310102441 JWPRCUHEQQTDJT-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CC1(CC(=O)N(C(C)C)C2CCCC2)CCCCC1 1355157295 JQZGRESKUXEXOS-UHFFFAOYSA-N 277.452 4.693 30 10 CJEE CCCCCCCCCN1CCC(CCF)CC1 1460587323 DYKVXTVYKSZEMQ-UHFFFAOYSA-N 257.437 4.809 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 1470531813 GNUPSBGETFVAKM-ULQDDVLXSA-N 294.483 4.589 30 10 CJEE C=C[C@H](CC(=O)N(CCCC)CCCC)c1ccccc1 1524844321 FLMLIMDDZYXTEL-QGZVFWFLSA-N 287.447 4.775 30 10 CJEE C#CCCCCC(=O)N(C(C)C)[C@H](c1ccccc1)C(C)C 1532913451 FOVBLQKCGCUSHC-FQEVSTJZSA-N 299.458 4.814 30 10 CJEE C=CCCC1(CNC(=O)/C=C(\C)c2ccccc2)CCCC1 1538899199 FLSFTBRWEJABEH-BMRADRMJSA-N 297.442 4.733 30 10 CJEE C=CCCCCN[C@@H](c1c(F)cccc1F)C(F)(F)F 1559670173 CGCFYICCPFUCMJ-ZDUSSCGKSA-N 293.279 4.514 30 10 CJEE C=CCC1(NC(=O)/C=C/c2cc(C)c(C)cc2C)CCCC1 1586371713 LOVLUGDBDQKFIR-CMDGGOBGSA-N 297.442 4.630 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@H](C)CC 1586807645 FESFSVKTPZMWQB-OQIJWPOYSA-N 297.442 4.526 30 10 CJEE C=CCCCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1611406129 NHNNHDLXSGQNLN-MSOLQXFVSA-N 285.431 4.575 30 10 CJEE C=CCC[C@@H](C)NCCn1c2ccccc2c2ccccc21 1621194742 DEKTVJQLJSTQAD-MRXNPFEDSA-N 292.426 4.739 30 10 CJEE C=C[C@H](C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccccc1 1624267301 SSFQSKHKVHSIFK-KSZLIROESA-N 299.458 4.677 30 10 CJEE C=CCCCSc1cc(CC)c(OC)cc1C 1641340385 WCWFQDTUUXETSD-UHFFFAOYSA-N 250.407 4.624 30 10 CJEE Cc1ccc(C[C@H](C#N)Sc2ccc(C)s2)cc1 1652895973 BRJFEQJBAKWRLH-CQSZACIVSA-N 273.426 4.592 30 10 CJEE C#CC[C@H](NCC[C@H]1CCC[C@H](C)C1)c1ccccc1 1653095506 AGHGEKONYCPOOX-SCTDSRPQSA-N 269.432 4.557 30 10 CJEE N#CC1(CSCc2ccccc2C2CC2)CCCC1 1656465704 CNRXSQPRJDZCSG-UHFFFAOYSA-N 271.429 4.881 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1658206219 DNZFDRODZLONOO-JKSUJKDBSA-N 290.410 4.840 30 10 CJEE CC[C@@H](Cc1ccc(Cl)cc1)Nc1cc(C)cc(C#N)c1 1658340042 HICLGSSCDHXOMT-KRWDZBQOSA-N 298.817 4.953 30 10 CJEE C#C[C@H](NCCC1CCCCC1)c1ccc(Cl)cc1 1659354796 BRVGTGTXYRFUEF-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)C1 1661217590 KCCOPNJLKJSRGZ-HNNXBMFYSA-N 298.430 4.774 30 10 CJEE C=C1CCC(CNCc2ccc3c(c2)CCC(C)(C)O3)CC1 1663224272 ZHNWOWPNEJCXOP-UHFFFAOYSA-N 299.458 4.626 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@@H]1CCC(C)C 1682208955 DCJAQGFZMWXMQJ-QGZVFWFLSA-N 294.483 4.733 30 10 CJEE CCCCCCC[C@@H](C)Nc1nc(Cl)ccc1C#N 1877747238 DSFYEOZAUWABLJ-GFCCVEGCSA-N 279.815 4.768 30 10 CJEE C=CC1(C[C@H](NCCC)[C@]2(C)CCCSC2)CCC1 1879838393 HZDUGUJJDVOAMT-JKSUJKDBSA-N 281.509 4.634 30 10 CJEE C=CCCCCN(Cc1ccccc1)[C@H](C)C(C)C 1880798492 BBQWLDNCDOIWII-QGZVFWFLSA-N 259.437 4.889 30 10 CJEE C=CCCN(Cc1ccccc1)CC12CCC(CC1)C2 1882664635 XGTZNVMJEDSEFW-UHFFFAOYSA-N 269.432 4.645 30 10 CJEE CC#CCCCC[C@H](NCC)c1cccc(Cl)c1F 1885235235 DJNJJPJTRKBGLP-HNNXBMFYSA-N 281.802 4.713 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H]1CCC1(C)C 1888710708 AJSSFKQSOLFHBB-SJORKVTESA-N 257.421 4.504 30 10 CJEE CCCCC#CCN(Cc1ccccc1)Cc1cccs1 1902982329 GTRUBIHAWMIPHD-UHFFFAOYSA-N 297.467 4.944 30 10 CJEE Cc1ccc(NCc2cccc(Cl)c2Cl)cc1C#N 1909663463 FSZRBMVNMROXIC-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCN(Cc1ccccc1)[C@H](C)CCO 1915108001 YLNQKMICICPJQS-GOSISDBHSA-N 291.479 4.620 30 10 CJEE CCCCCCCCN(Cc1ccccc1)C(C)(C)CO 1915643376 ZQIWNXOLCBQJFB-UHFFFAOYSA-N 291.479 4.620 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1917345812 JKRNYOWRJPIVAS-DGADGQDISA-N 282.493 4.564 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CC1CCC(C)CC1 1919391537 YJXYXKTXHNAXBW-LEOMRAHMSA-N 282.468 4.883 30 10 CJEE CCCCCCC[C@](C)(O)Cc1cc(C)ccc1C 1919903612 INLZKOVJMCWOOK-SFHVURJKSA-N 262.437 4.957 30 10 CJEE CCCCCCCC[C@](C)(N)c1csc(C)c1 1920156738 XUAZFUQBXKWOJB-HNNXBMFYSA-N 253.455 4.981 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC(C)(C)CC)NC 1920810538 JEQQBKYKUYBZGT-RDJZCZTQSA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CC1CCC1)NCCC 1920863387 HHPCGBFWTFKKIW-ROUUACIJSA-N 283.500 4.656 30 10 CJEE C=C(C)CC[C@@H](N)c1cc(Br)c(Cl)s1 1933734421 GVWWNMCEWPNIFC-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE C=CCC[C@H](C)Cc1ccc(F)c(Br)c1 1958090996 KTQFNXQGBWZAMC-JTQLQIEISA-N 271.173 4.733 30 10 CJEE 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CJEE CCCCCCCCCN(C)C[C@H]1C[C@H](SC)C1 2314173882 XVNVKXHJJNUXTO-WKILWMFISA-N 271.514 4.810 30 10 CJEE C=CCCCCCCN(C)C1C[C@@H](C)S[C@H](C)C1 2317708809 YLXMDZYHRDMESN-HUUCEWRRSA-N 269.498 4.727 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320100353 CHHZDUJPWMDQLY-JJXSEGSLSA-N 251.458 4.639 30 10 CJEE CC(C)(C)[C@H](CS)CO[C@H]1CCC2(CCCC2)C1 2320444844 LDJDCDWGPPFWOY-KBPBESRZSA-N 270.482 4.708 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)c(Cl)cc1C 2321101850 MHNMKJRACZETNG-CVEARBPZSA-N 265.828 4.949 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1CCC(CC)CC1 2321114209 VTNMDFDBMUTUEZ-BHUNQDJPSA-N 251.458 4.913 30 10 CJEE C=C[C@@](C)(CC[C@H]1CCC(C)(C)C1)CNC(C)C 2321617127 SWZYPVHSJIYZNR-WBVHZDCISA-N 251.458 4.783 30 10 CJEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(C)cc1 2322586094 OEIDYRHYSLOSCB-UHFFFAOYSA-N 292.378 4.846 30 10 CJEE C=CC[C@@H]1CCN(Cc2cc(F)c(Cl)cc2Cl)C1 2325177505 FWSIDJRNWGQJSZ-SNVBAGLBSA-N 288.193 4.531 30 10 CJEE C=C[C@@H](NCc1cc(F)c(Cl)cc1Cl)C1CCC1 2325250132 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CJEE C=CCC[C@](C)(N)CC1CCC(CC(F)(F)F)CC1 2353198412 MCQUDOCUUQKOKR-RUXDESIVSA-N 277.374 4.819 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1OC[C@@H]2CCC[C@H]12 2358466765 ZQMKRLRSQMXZCN-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)C[C@@](C#N)(NC(C)C)C1 2360208660 RQHGBUJIVUTLHO-MWDXBVQZSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)SCCCC[C@@](C)(C#N)NC(C)C 2360332538 CRIQETUEUXVNBX-KRWDZBQOSA-N 294.508 4.691 30 10 CJEE Cc1ccc(C#N)cc1NCc1c(F)ccc(C)c1Cl 2360551130 KZTNVSXLVCELGS-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CCCc1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1 21517643 ZTWMQXGQDRRZRS-CQSZACIVSA-N 264.372 4.684 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2ccnc2C(C)C)C1 37147562 UKQHVVVQIPXHDE-BZUAXINKSA-N 287.451 4.924 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](c1cccs1)C(C)C 37305212 CAWUXOWUAYYWSX-INIZCTEOSA-N 288.391 4.877 30 10 CJEE N#CC[C@H](SCc1ccccc1)c1ccccc1 55022347 ZLOUPVIBLTYPSF-INIZCTEOSA-N 253.370 4.575 30 10 CJEE CCc1ccc(OC)c(C[C@@H](C#N)c2cccc(Cl)c2)c1 57761588 RYDJUVHBJJHZLJ-INIZCTEOSA-N 299.801 4.761 30 10 CJEE C[C@H](C#N)Cn1c(-c2ccccc2Cl)nc2ccccc21 57800445 VFQFSNLMXDQMCH-GFCCVEGCSA-N 295.773 4.516 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCc2occc21 59090423 WJXFMAVABAJOAD-GOEBONIOSA-N 263.425 4.996 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(C(F)(F)F)c1 71276495 VMTWLKBNXNQSBF-CQSZACIVSA-N 271.326 4.712 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C3CC3)o2)cc1C 77082933 PSIGAMDKMLXUPJ-UHFFFAOYSA-N 251.329 4.507 30 10 CJEE CCc1sc(-c2cccc(OCC(C)C)c2)cc1C#N 77097073 QNGZTVZROSLHDN-UHFFFAOYSA-N 285.412 4.884 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 83828738 WPNWJCNLOVRKAP-PWSUYJOCSA-N 282.309 4.568 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C#N)CCOc2ccccc21 87997094 QPULXWSHJVYHSL-QAPCUYQASA-N 271.404 4.837 30 10 CJEE CC1CCC(C#N)([C@]2(O)C[C@H](C)CC[C@@H]2C(C)C)CC1 91875720 MSPWYXOQZLKQTG-TVLITYMTSA-N 277.452 4.530 30 10 CJEE CC(C)c1ccccc1OCC[C@@H](C)CCS 94583168 XPIHDZHZVXQJEH-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE C=C(CC)CNc1cc(C(F)(F)F)ccc1Cl 97191687 BRYCXDOWDBPVJV-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE N#CC1(Sc2ccccc2F)CC2(CCCCC2)C1 97264988 JIIXOTXEFBPGGU-UHFFFAOYSA-N 275.392 4.924 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C/C(=O)O 102455170 YQIDBBQAWLMULK-GIIMBGIHSA-N 276.420 4.816 30 10 CJEE biogenic CCCCCCCO[C@H](CNC)c1cccc(Cl)c1 110067841 BWDACHUGMVYMOB-MRXNPFEDSA-N 283.843 4.588 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC3(CCCC3)CC2)C1 110265684 UWWSRJZDUDJNJU-OKZBNKHCSA-N 288.479 4.751 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2ccc(C#N)cc2F)C1 110354816 ZMCPLSCTQHNTDH-BXUZGUMPSA-N 263.381 4.509 30 10 CJEE CCCCCCC[C@H](NC)C1(c2ccccc2)CC1 110446689 KBNPHHKDAUJLCN-KRWDZBQOSA-N 259.437 4.667 30 10 CJEE CCCCCCCCCCN1C[C@H](C(C)C)NCC[C@@H]1C 114078237 LIXFXQZUIJLNLF-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCNC[C@@]1(O)CCC[C@H](C)C1 115638284 WRSPJSYUTPMLPN-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE Cc1cc(C)cc(CSc2cc(C#N)cc(Cl)n2)c1 122913508 DJFDFSBORVWJGV-UHFFFAOYSA-N 288.803 4.516 30 10 CJEE CCCCCCCCC(=O)c1cncc(Br)c1 124449541 ROGVPVRHKLWALA-UHFFFAOYSA-N 298.224 4.777 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)C(C)(C)C)NN 130347294 FWVCUSTZJGQSJR-HUUCEWRRSA-N 256.478 4.641 30 10 CJEE N#CC1([C@H](O)c2cccc(C(F)F)c2)CCCCCCC1 132324063 GHOLMEIXWYGWIL-OAHLLOKOSA-N 293.357 4.912 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@H](N)CCCC2 135742659 MIVMUWJVMCPCIO-GOSISDBHSA-N 276.468 4.965 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC(F)(F)F)cc1 158117877 LZAYDPQNCMTAMN-CQSZACIVSA-N 289.341 4.946 30 10 CJEE C[C@@H]1CC[C@](C#N)(Nc2ccc(F)cc2)c2ccccc21 163861976 ZATHVKOKTOSTGA-FZKQIMNGSA-N 280.346 4.554 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ncc(Cl)cc1Cl 164690460 FICLUSZXQXRHFH-CYBMUJFWSA-N 287.234 4.785 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(Cl)c(C)c1 167727846 PVXSPBYNOUCPSB-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCC[C@H](CC)COC(=O)Nc1oc(C)c(C)c1C#N 170500446 CWRJGGBQOUXJRC-ZDUSSCGKSA-N 292.379 4.533 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)(C)C)CCCOC1 203398962 ISTSSGZBJSEJJV-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C/C=C\c1ccccc1OCCCCCCS 211644109 RNOKCJWODWADTK-MBXJOHMKSA-N 250.407 4.589 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCC[C@H]2C(C)C)cc1 214712642 QIYOFALELXNYQE-DLBZAZTESA-N 256.393 4.516 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC[C@@H]2C)C1 222167143 NLZPKHTZVAGBJO-HZMVEIRTSA-N 276.468 4.605 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc2cccnc2c1 229033919 KXEMYYZZBMFBRS-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C#CCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 229643354 ADWHVGRVMULBKC-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C)cc1Br 229736455 KRHLPVJAXSHEAJ-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](O)(C2(C#N)CCC(C)CC2)C1 230794777 DGWOCGSKSGMJMR-IKJBURDNSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@@H](Cc1cc(C)cc(C)c1)NC 234426299 SROCKNNGAYSHKH-SFHVURJKSA-N 259.437 4.570 30 10 CJEE CCCC[C@H](CC)COc1ccc(C(CC)=NO)cc1 252430443 PZHUJIXXSRGRRY-AWEZNQCLSA-N 277.408 4.870 30 10 CJEE N#C[C@@]1(Cc2cccc3ccccc23)C[C@H]2CC[C@H]1C2 252830051 XMFOAUZGJCXDIU-FNHZYXHNSA-N 261.368 4.712 30 10 CJEE C(=N\Cc1ccccc1)\C1(Sc2ccccc2)CC1 256395181 VBEMVDUKEGELJH-JXAWBTAJSA-N 267.397 4.582 30 10 CJEE COc1ccc(C(C)C)cc1C1(C#N)CCCCC1 260079228 ASEYAHKZFFKLLG-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(Cl)s1 302742771 MDCPIZFFVQKUEV-UHFFFAOYSA-N 277.820 4.590 30 10 CJEE CSc1cccc(N[C@]2(C)CCCC[C@H]2C)c1C#N 308728693 PCRJDDDRMFCKEE-MLGOLLRUSA-N 274.433 4.661 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(OCc2ccccc2)cc1 309967096 LMYRYCIWUUOTAK-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE Cc1cc(Oc2ccc(Cl)cc2C#N)c(Cl)cc1N 312078881 RUEMVBVLQDPFBL-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H]2CCOC3(CCCC3)C2)C1 312465717 FBKMGSYTNYRQAT-IKGGRYGDSA-N 275.436 4.836 30 10 CJEE CCCCCCCC(=O)c1cc(OC)c(C)c(OC)c1 312495407 KPYIFRCHEXGNQK-UHFFFAOYSA-N 278.392 4.555 30 10 CJEE C[C@@]1(c2ccc3ccccc3c2)CCC[C@@H](CC#N)O1 312596831 DKXZJGRHJWSHDI-ROUUACIJSA-N 265.356 4.538 30 10 CJEE CCCC1CCC(C=O)([C@@H]2CCC[C@@H](C)C2)CC1 317122032 HKMIXTQVEQIDCG-KZYLPZIUSA-N 250.426 4.988 30 10 CJEE C=C[C@H](C)C1(CNC(C)C)CCC(C(C)C)CC1 318081661 NYSGJMCOKDYDQA-GTPINHCMSA-N 251.458 4.639 30 10 CJEE N#CCCCCCSCc1ccccc1Cl 385267227 WOGISODJQWYISH-UHFFFAOYSA-N 253.798 4.657 30 10 CJEE Cc1ccc([C@H](C)N(C)[C@H]2CCCCC[C@H]2C#N)s1 387462652 XFAVDHAHEQYCAR-KKUMJFAQSA-N 276.449 4.522 30 10 CJEE CCCCCCCCC[C@H](NCC)C(C)(C)COC 395376513 NUSURSWDDOWRIM-INIZCTEOSA-N 271.489 4.778 30 10 CJEE N#CCc1cc(Cl)cc2c(C(F)F)csc12 396184565 BSWDULPLIMTXGX-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@H](CNc1ccc2ccccc2c1)C1CCCC1 397229812 UEXVSPUREDJQKP-QGZVFWFLSA-N 264.372 4.582 30 10 CJEE Cc1ccccc1CSC[C@H](C#N)C1CCCCC1 397316841 POMFYHZTKWVHST-KRWDZBQOSA-N 273.445 4.948 30 10 CJEE C=CCCC[C@H](C)N[C@H](c1ccc(C)cc1)C1CC1 398161218 IBZLPESLXRVKOO-MAUKXSAKSA-N 257.421 4.781 30 10 CJEE CC[C@H]1CCCC[C@H]1CNc1ccc(C#N)cc1Cl 401433572 YXOOAQZBJOSNQT-KBPBESRZSA-N 276.811 4.840 30 10 CJEE CCCCCCCCCCNCc1ccnc(Cl)c1 401842984 SMTGGJFBEYRXEI-UHFFFAOYSA-N 282.859 4.965 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3C[C@@H]3C2)CCc2ccccc2C1 403375603 KESIJNNCPVCNJM-XIVBQZFQSA-N 265.400 4.512 30 10 CJEE N#Cc1cccc(-c2cccc(C(F)(F)F)c2)c1Cl 514260844 LSPJCYINJMWRIJ-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE O=C1C(=C(c2ccccc2)c2ccccc2)Cc2ccccc21 616216181 KBPZAGJKPSSKCX-UHFFFAOYSA-N 296.369 4.928 30 10 CJEE C#CCCCCC[C@@H](NC)c1cc2cc(F)ccc2s1 686691570 MPXXBRHODIHZBS-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 692251385 ARDARBJZLUNKEV-ZBFHGGJFSA-N 263.812 4.565 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]12CCCC[C@H]1C2 693239364 GTCXPZMSCSTTSK-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=C(C)CC[C@H](N)c1cc(C(F)(F)F)ccc1Cl 695051096 YIKDSQJMEWWKEG-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccc(C2CC2)cc1 695731454 UBAXUAWYGVQUCO-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)c(OC)c3)C[C@@H](C1)C2 697271863 ZXAHEYZUTSJRLC-FKEKPDDDSA-N 271.404 4.550 30 10 CJEE C=CC[C@@H](CCCOC1CCCCC1)CNC(C)(C)C 699828705 KEZUVQSYCXKZOK-INIZCTEOSA-N 281.484 4.696 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@H](C(C)(C)C)CC1)C(C)(C)C 702292144 YXNANZIZBGIZSM-JYJNAYRXSA-N 263.469 4.619 30 10 CJEE C[C@@H](NCc1cc2cscc2s1)c1ccc(C#N)cc1 703341301 NNKWXFDERALBOP-LLVKDONJSA-N 298.436 4.685 30 10 CJEE CCCCCCCNC1CC(c2ccccc2F)C1 703776075 DWLXNIZAASTGEO-UHFFFAOYSA-N 263.400 4.632 30 10 CJEE CCCc1ccccc1OC[C@H](CS)C(C)(C)C 703823908 GTOREWWDSDZOHF-CQSZACIVSA-N 266.450 4.610 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 709102384 AJDBBTGSIPBUSJ-GXFFZTMASA-N 295.785 4.728 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NC 717028530 OYAYXYLZEIPSKP-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=CCCC(C)(C)CNc1cccc(C(F)(F)F)c1N 717186053 LPIDCXFFWSFVLX-UHFFFAOYSA-N 286.341 4.692 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)NC1CCCCCC1 720351660 VZHMSQFZZSBAKC-GOSISDBHSA-N 276.468 4.942 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cnc(C)s1 829436328 OWKKJNLJPFWERS-OAHLLOKOSA-N 297.512 4.877 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1cncs1)c1ccccc1 883326693 JJBHLNNMQJVKRI-HOCLYGCPSA-N 286.444 4.891 30 10 CJEE C=C(CC)C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 1142510953 QBCFGKHUPWMHFI-OAHLLOKOSA-N 299.439 4.804 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(OCC)c3cccnc23)C1 1180613716 SUNXRAFOAWWVKC-GJZGRUSLSA-N 296.414 4.790 30 10 CJEE C=CC[C@@H](CC)NC(=O)N(C)C1CCC(C(C)(C)C)CC1 1246320927 GHXNTVISEFWGIB-HWOWSKLDSA-N 294.483 4.587 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)cc2Cl)CCCC1 1264241603 HNYYANGFXSTBFQ-UHFFFAOYSA-N 277.795 4.723 30 10 CJEE C#CCCCCCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 1307492253 ZRHUOHQDLMGAGW-OALUTQOASA-N 283.459 4.757 30 10 CJEE C=CC[C@@H]1CCCN(CCOc2cccc3ccccc23)C1 1307914588 IFNMBPFVVVOIFU-QGZVFWFLSA-N 295.426 4.507 30 10 CJEE C#C[C@@H](N[C@H](CC)Cc1ccccc1)c1ccc(Cl)cc1 1308796918 STLWRJXDIYDPOS-RTBURBONSA-N 297.829 4.625 30 10 CJEE C#CC1(NCC2CCC3(CCCCC3)CC2)CCCC1 1308915188 JCAFUTANHGJKEV-UHFFFAOYSA-N 273.464 4.663 30 10 CJEE CC#CCCCC(=O)O[C@H](CC)c1c(F)cccc1Cl 1435551410 PUBRGZNCRWYJAN-CQSZACIVSA-N 296.769 4.667 30 10 CJEE C#CC[C@H](NC(=O)[C@H](CC)CCCCCC)c1ccccc1 1458089800 VBTQMTSKJOXBBP-MJGOQNOKSA-N 299.458 4.864 30 10 CJEE C=CCCCCCN(CC)[C@H](C)c1cccc(OC)c1 1459345276 DTNLARWWUSJZTQ-MRXNPFEDSA-N 275.436 4.825 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 1462412580 GXEYCBAJHLRWJN-LLVKDONJSA-N 289.366 4.555 30 10 CJEE C=CC[C@@H](C)SCc1ccc(Br)cc1 1472922421 PQHOQHDGTZLKLJ-SNVBAGLBSA-N 271.223 4.647 30 10 CJEE C#CCCCCCCNC1(c2ccccc2Cl)CCC1 1473615241 WZBDJUJMBAAZDZ-UHFFFAOYSA-N 289.850 4.893 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCc1cccc(C)c1 1473638435 UTFYYVNUDHAOGE-MOPGFXCFSA-N 271.448 4.652 30 10 CJEE C=CC1CCN(C(=O)c2cc(Cl)cc3ccccc23)CC1 1521690141 WOFSYUPLUGSBRD-UHFFFAOYSA-N 299.801 4.531 30 10 CJEE C=CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 1528611128 DUGOOPJQMHMOPR-ZWKOTPCHSA-N 285.431 4.528 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccc(SCC)cc1 1528880964 NOJUURNVNQWBMF-UONOGXRCSA-N 291.460 4.578 30 10 CJEE C=C(C)CN(C)C(=O)CC1CCC(C(C)(C)CC)CC1 1539769695 SRHZVVWRSHTMTB-UHFFFAOYSA-N 279.468 4.654 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 1540437422 SZZJJGCWGUIHKM-HNNXBMFYSA-N 285.774 4.557 30 10 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257.421 4.644 30 10 CJEE Cc1cc(CN[C@H]2CCC[C@H](C(C)(C)C)CC2)ccc1C#N 1657180934 HHHVLZNKPYMDDN-OALUTQOASA-N 298.474 4.951 30 10 CJEE C=CCCC1(CNC/C=C/c2ccccc2OC)CCCC1 1657669389 VNLPMWMYJFXCNF-PKNBQFBNSA-N 299.458 4.825 30 10 CJEE C=CCC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1Cl 1657847778 XJIZEUFPXHGPMR-QWRGUYRKSA-N 272.219 4.999 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(C)c(OC(C)C)c2)C1 1657944158 VDQFOFIRQMVSNK-HZPDHXFCSA-N 273.420 4.939 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(OCCC)cc2C)C1 1658518458 FLGLFXQKEZWOFF-KRWDZBQOSA-N 287.447 4.572 30 10 CJEE C=CCCCCN1CCC[C@@]1(C)Cc1ccccc1F 1659142812 UBNXFRDLKJUNQX-SFHVURJKSA-N 275.411 4.579 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCc1cccc(Cl)c1 1659641504 AVOMDCGAQVHWEN-RDJZCZTQSA-N 277.839 4.607 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCCC(C)(C)C1 1660014752 RYQCBZSSACJNEV-ZWKOTPCHSA-N 271.448 4.732 30 10 CJEE C=CCCCC[C@H](C)N[C@H](C)c1ccc(OC)c(C)c1 1660801049 ZKNYRPXHFWBRJM-JKSUJKDBSA-N 275.436 4.789 30 10 CJEE C[C@H](CC(=O)C1=CC[C@@H](C(C)(C)C)CC1)P(C)(C)=O 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2240622671 WJHDFNJVVDOINV-MSOLQXFVSA-N 275.436 4.525 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](COC)C1 2240638267 SAGHHHKAORBSLJ-KSZLIROESA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC1(CCC)CC1 2240644838 NNYPECQKASWRLK-IAGOWNOFSA-N 283.500 4.786 30 10 CJEE C=C(CC)C[C@H](O)c1scc(Br)c1Cl 2241234233 HOLVOPGSWIWBRV-QMMMGPOBSA-N 295.629 4.554 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2(C)CC2)C1 2247565651 VWLDSPUJULPOIF-MGPQQGTHSA-N 251.439 4.628 30 10 CJEE CCC(F)(F)CCS[C@@H]1CCCCC[C@H]1C#N 2248274306 GQNCHODWVGYCMW-NWDGAFQWSA-N 261.381 4.627 30 10 CJEE C=CCCC[C@H](CC[C@H]1CCC[C@@H](C)C1)NCC 2253933719 DQRFQNIEEAMSSO-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC1(C#N)C[C@@H]2CC[C@H](C1)S2 2254521577 RIHZBEFZYOTGGP-AFLMIKJESA-N 263.450 4.771 30 10 CJEE N#C[C@@]1(C[C@H]2CCC23CCC3)CCCC(F)(F)C1 2254963822 VJIKRKJHMVHOCH-CHWSQXEVSA-N 253.336 4.676 30 10 CJEE CCCC[C@@H](C)CC[C@@H](O)CC#CC1CCCC1 2261101828 WZNOCTSQNGGUOA-WBVHZDCISA-N 250.426 4.538 30 10 CJEE CCCC#CC[C@H](C[C@H]1CCCCC12CC2)NCC 2264849756 ATPAIFPQVFPXOA-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCCCCCC[C@@H](O)c1c(C)nn(CC)c1Cl 2266649725 ZFHUHJGMTBMSBJ-CYBMUJFWSA-N 286.847 4.649 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cccc(Cl)c1F 2268788456 CIBIQVCYZWKXTN-CQSZACIVSA-N 280.770 4.508 30 10 CJEE C=C(C)CCCCNc1cc(Cl)c(OC)cc1OC 2271791317 LSOOEIIDEWFOCI-UHFFFAOYSA-N 283.799 4.516 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]1C(F)(F)F 2271838182 CSOMQWATZTUCSH-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CCC[C@@H](CC)[C@H](CC#CC1CCCCC1)NCC 2272041609 PXTNOLOSRDXZTG-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2274438008 INJAGFIMZPKPGU-RDTXWAMCSA-N 258.405 4.532 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1cc(C)cs1 2276157078 YCJHUWJALRVSSE-HNNXBMFYSA-N 281.465 4.600 30 10 CJEE C=CCCCCC[C@@H](CCCCCCC)OCCN 2276217761 WZUFFMSDECNJEF-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCCCCC[C@](CC)(CCCC)OCCCN 2276223851 MYDAYTVWWNNPOY-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccsc1C 2276477699 JMGCKFOXCBFSLR-MRXNPFEDSA-N 283.481 4.824 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CC=C(C)C 2278179050 UTPPBGZBMJZMOR-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCOC1(C)C 2278239810 MUVFDTUUBPBIKL-HOTGVXAUSA-N 269.473 4.673 30 10 CJEE C=CC[C@@H](CCC12CC3CC(CC(C3)C1)C2)NCCC 2279886967 VDBPHXWHNKNODM-NNGLDNROSA-N 275.480 4.927 30 10 CJEE Cc1cc(N[C@H](C)[C@@]23CCCC[C@H]2C3)cc(C)c1C#N 2280570306 KVGCHEDPNPGCIF-VKJFTORMSA-N 268.404 4.556 30 10 CJEE C=C(C)CCOc1cc(C)c(CN[C@H](C)CC)c(C)c1 2282959898 SSHVPIWTGXDTRQ-MRXNPFEDSA-N 275.436 4.537 30 10 CJEE Cc1cc(NCc2csc(C3CC3)c2)cc(C)c1C#N 2283078034 GOWNADGCFDOTCT-UHFFFAOYSA-N 282.412 4.726 30 10 CJEE CC(C)(C)C#CC=CCC1(O)CCC(C2CCC2)CC1 2284074246 ZTDSYXOLXFUANN-UHFFFAOYSA-N 274.448 4.704 30 10 CJEE CC[C@@H]1CCC[C@@](CC=CC#CC(C)(C)C)(CNC)C1 2284074958 BZTKRANCROBSFW-IEBWSBKVSA-N 275.480 4.788 30 10 CJEE N#C[C@H](c1cccc2ccccc12)[C@@H]1CCCC[C@@H]1F 2285319221 DEFGAPWCANHNIK-KSZLIROESA-N 267.347 4.975 30 10 CJEE CC(C)(C)c1cccc(Nc2cc(C#N)cc(Cl)n2)c1 2285655721 NJABTKUWLCRDTQ-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE C=CCCS[C@H](c1ccccc1)[C@@H](N)c1ccccc1 2287195677 RGUHAHIONKFEED-ZWKOTPCHSA-N 283.440 4.737 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1Cc2ccccc2S1 2287407870 AXPFYAPNJXDYSL-AEFFLSMTSA-N 289.488 4.818 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CCOCC1(C)C 2287408856 NMPDRARYCWOCML-DLBZAZTESA-N 281.484 4.554 30 10 CJEE C=C(C)CCCCOc1ccccc1CNC(C)(C)C 2287409482 VIHYXFZQLUPQKS-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CCC[C@](C=O)(CC)CN(C)C1CC(C)(C)C(C)(C)C1 2287677018 PRGWABLLLKWRGI-GOSISDBHSA-N 281.484 4.528 30 10 CJEE CC(C)CCC[C@@H](C)CCN(CCC#N)CC(F)(F)F 2287964559 JAWUBPIDKHUYQY-CQSZACIVSA-N 292.389 4.617 30 10 CJEE C=C[C@H](C)CCNC1CCC(C)(c2ccccc2)CC1 2288684765 WTKMUSILIBXJBK-IVMQYODDSA-N 271.448 4.689 30 10 CJEE CN(C[C@]12CCCC[C@@H]1CC2)c1cccc(Cl)c1C#N 2289086199 OUUNULWTJZUZFS-CXAGYDPISA-N 288.822 4.618 30 10 CJEE C=CCCCCC[C@@]1(OCC(=O)O)CCC[C@@H](C)CC1 2291442143 UMRAQGJNTUDIRT-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@](C)(OCCC(=O)O)[C@@H]1C[C@H]1C 2291588391 WRUKQHYXYMXQAM-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC1(OCCCN)C[C@@H](C)C[C@H](C)C1 2292891090 GHXKBMMMRJLAQE-IRXDYDNUSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@@]1(OCCN)CCC[C@H](C(C)(C)C)CC1 2292906886 AURHZIKDSPAWFE-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@](C)(C[C@H](C)C(F)F)OCCCN 2292907741 FBYIMPDTBGATSW-HOCLYGCPSA-N 291.426 4.538 30 10 CJEE C=CCCCCC[C@@H](OCCN)C(C)(C)C1CCCC1 2292909266 NKDFEADJDZFOAD-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE C=C1C[C@@H]1C[C@H](CCCCCCCCC)OCCCN 2293121616 CMQTVDXRGBBQMI-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)C[C@H](C)CC(C)(C)C1 2293139629 TZUDNASKUZCYPR-RYRKJORJSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@](C)(CC1=CCCC1)OCCN 2294061005 ZUYTYXUYJFLBHZ-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(C)c(F)c1 2294258583 WVIPKDPKWPANBJ-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE CC1(C)CCC[C@@H]([C@@H](O)C#Cc2ccccc2Cl)CC1 2295219577 OJFBZLLTIYKVII-WBVHZDCISA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CC[C@@H](C)[C@H]1C 2295532600 YKJDEPWLSWGGCI-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(COC)CCC1 2295678798 JUPWTAVJJCUTCV-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1cc(C)cs1 2295681826 KFZKPFQWLMFAPK-IAGOWNOFSA-N 297.508 4.948 30 10 CJEE Cc1c(C(=O)C#CC(C)(C)C)ccc(Cl)c1Cl 2301222925 KBKWLXROMSKYTM-UHFFFAOYSA-N 269.171 4.534 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C(F)F)cs1 2304050677 ZXKIUHYFVLXJDC-AAEUAGOBSA-N 259.365 4.678 30 10 CJEE CCCCCCCCCC[C@H](N)[C@]12C[C@H]1[C@H](C)C2 2308839342 KJNLOBAHBVNXIC-LTIDMASMSA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(Cl)cc(Cl)c1 2313539687 OCSLHLYEWHSLAT-UHFFFAOYSA-N 285.170 4.671 30 10 CJEE Nc1ccccc1C#Cc1cc(Cl)cc(Cl)c1Cl 2317651355 FYAMWVJLPDTCTM-UHFFFAOYSA-N 296.584 4.629 30 10 CJEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)C(=O)O 2318611714 ZVYYORXILJAPFJ-CQSZACIVSA-N 287.186 4.593 30 10 CJEE C=C(C)C[C@H](CC1CC(C(C)(C)C)C1)NCCC 2319293651 SLYBCKSURWJAGW-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)c(Cl)c1OC 2319295400 GBIJJCYAGSHGLV-LBPRGKRZSA-N 288.218 4.619 30 10 CJEE CCC(CC)(CS)COC[C@@H]1CCC(C)=C(C)C1 2320402540 SYJFBYBDWPNKSH-OAHLLOKOSA-N 270.482 4.876 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1(C)CC1)NCCC 2321130751 LONMSIBXJOEZJE-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc2ccsc12 2321226202 UWORIGGHALSSGO-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCC2(C(F)(F)F)CC2)C1 2321544922 NVNLCHUBXBFDHB-NWDGAFQWSA-N 259.315 4.829 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]1C1CCCCC1 2332783556 CZUARNOITZVZHW-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NCC 2334660913 FEZODOORWDTUQS-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccc(C)cc1C 2335207852 WJRLDEIEBQFOSB-NVXWUHKLSA-N 277.477 4.652 30 10 CJEE C[C@H]1CC[C@H](CSCc2ccc(CC#N)cc2)CC1 2335354564 WHSRENXRUYVSFN-KOMQPUFPSA-N 273.445 4.812 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)[C@H]1CCCC(C)(C)C1 2337075812 JEBRWGWKYDNVOQ-LUKYLMHMSA-N 263.469 4.926 30 10 CJEE CCCN[C@H](C#CC1CCC1)C1(C)CCCCCC1 2337531335 KZJXBXMIWDBNAR-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=CCCCCCCCCC=C1CCNCC1(F)F 2338786229 ZWNKVMAPLBBSQH-UHFFFAOYSA-N 271.395 4.848 30 10 CJEE CC1=C(C)C[C@H](CNc2cc(C#N)ccc2Cl)CC1 2343471636 UDDQJWOJFCLODM-CQSZACIVSA-N 274.795 4.760 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CCC=Cc1ccccc1 2344341788 FCJVTVWYGMCCPY-ROUUACIJSA-N 257.421 4.800 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)[C@H]1CCC2(CCCC2)C1 2344344809 UHCWXKBYRVLKKV-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC(F)(F)C12CCC2 2344420970 OSRIXBWIVONZGH-OCCSQVGLSA-N 270.363 4.764 30 10 CJEE O=C[C@@]1(CCC2(C(F)(F)F)CC2)CCCC12CCC2 2344788150 FWBIMJBRPKGTNY-AWEZNQCLSA-N 274.326 4.649 30 10 CJEE CCN(CC1(CS)CC(C)(C)C1)[C@H]1CCCC1(C)C 2345008811 UVWDCAIIIGYUPF-AWEZNQCLSA-N 283.525 4.623 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C(=O)O)[C@H]1CC1(C)C 2351989759 JHLZMNNEPDNXND-BBRMVZONSA-N 282.449 4.520 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@H]1CCCC(C)(C)CC1 2353843153 OGCIXFJHSVDDQS-CVEARBPZSA-N 285.541 4.869 30 10 CJEE CCCCCC#CCC(=O)c1ccc(F)cc1SC 2353847407 AZAUPLBZPJOHMU-UHFFFAOYSA-N 278.392 4.704 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@H]1CCC)NCC 2357796447 TWEJNMIJYDMJBJ-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1cc(C#N)ccc1F 20023869 UGXMKRBWIIUSCC-SKDZVZGDSA-N 289.394 4.675 30 10 CJEE CCCNC1(C#N)CCCCCCCCCCC1 20380184 LUYKHTYDVDEMCM-UHFFFAOYSA-N 250.430 4.553 30 10 CJEE N#C[C@@H]1CCCC[C@H]1Sc1ccccc1Br 37156586 OGSPCXRMNBZJDR-CMPLNLGQSA-N 296.233 4.624 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cccc2ccccc12 37937991 ZOLHIHNILZRDJW-IBGZPJMESA-N 272.351 4.825 30 10 CJEE Cc1cc(-c2ccccc2)c(C#N)c(NCc2ccccc2)n1 39201756 LGXRUPBVLQRLLX-UHFFFAOYSA-N 299.377 4.541 30 10 CJEE N#C[C@@H](Cc1ccccc1)c1cccc2ccccc12 57722839 IIYYFBCTHWWCKJ-QGZVFWFLSA-N 257.336 4.690 30 10 CJEE N/C(=N\c1cc(Cl)ccc1Cl)C1CCCCC1 62988320 NBFYEVOCERKVPR-UHFFFAOYSA-N 271.191 4.562 30 10 CJEE C=CCSc1ccccc1NC(=O)Oc1ccccc1 70270882 RCEJTSMQDCWZTB-UHFFFAOYSA-N 285.368 4.576 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cccc(OCCCC#N)c2)C1 71118611 AQGSKHPSIVPNAZ-HZPDHXFCSA-N 286.419 4.750 30 10 CJEE C=C(Cl)CNc1cc(Cl)c(Cl)cc1Cl 71125979 OKJQQXVWYBCADG-UHFFFAOYSA-N 270.974 4.811 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccccc1Cl 71277016 QZLRVVSRVCTUDR-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE Cc1cc(C(=O)/C=C/c2cn(C)c3ccccc23)ccc1F 83204167 XOWHSXIBUJOSMQ-CSKARUKUSA-N 293.341 4.522 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC1(CS)CCCC1 94583779 QRWCTAKIIWPSJJ-OWCLPIDISA-N 284.509 4.954 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H]1CSc2ccccc21 97220168 GAHGWRQPPKWEFV-HZPDHXFCSA-N 275.461 4.600 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 97283990 FJYPAAAIKBWETN-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE Cc1occc1CN(C)CCCCCCCCCS 97799440 SPUVTEQGEFRWCU-UHFFFAOYSA-N 283.481 4.680 30 10 CJEE CCCN(CC1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 110264083 AMURHKZLPVUDSI-KZNAEPCWSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCN(CC)c1ccccc1N 110369113 ITPHIXXMRMHVKX-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2ccc(F)cc12 111683272 LGZILOSYHGHFIT-UHFFFAOYSA-N 261.340 4.850 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@@H]1CCOC1 115761531 RSGJCUYDIKMADC-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC(=O)Cc1nc2ccccc2o1 115858600 WAZJDKPNEWRWRC-UHFFFAOYSA-N 273.376 4.690 30 10 CJEE CCCCCCCCCC(=O)[C@H]1Cc2ccccc2N1 122163643 XICPHWDDYZBMLA-QGZVFWFLSA-N 273.420 4.733 30 10 CJEE CCCCCCCCCCC[C@H](O)c1nccn1CC 122164373 ZGYJDVOOEIKUGW-INIZCTEOSA-N 280.456 4.857 30 10 CJEE CCCCCCCCOc1ccncc1CNC(C)(C)C 122852539 QLGKPNJURJOWRF-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE CCCCCCCCCC[C@H](Cc1cccc(F)c1)NN 125699265 HTSMGTRUIHZIHN-GOSISDBHSA-N 294.458 4.731 30 10 CJEE CCCCCCCCC[S@](=O)c1cccc(F)c1 127751599 MJPAMTQZSLTKHU-GOSISDBHSA-N 270.413 4.684 30 10 CJEE CSc1cccc(N[C@H]2CCCCC2(C)C)c1C#N 136681641 YGGSVQQAERHXJO-HNNXBMFYSA-N 274.433 4.661 30 10 CJEE C=CC(C)(C)c1cc(Br)c(OC)cc1Cl 138204648 PDZXYMQPTSDYLK-UHFFFAOYSA-N 289.600 4.575 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cscn1 150328386 BDEIKBZYYAULHD-CYBMUJFWSA-N 254.443 4.674 30 10 CJEE CCCCCCCCCN1CCc2cc(C)c(N)cc21 158004344 DWOFXRKZEQCJRU-UHFFFAOYSA-N 274.452 4.690 30 10 CJEE C=C[C@H](C)N[C@H](c1ccccc1)c1cc(C)ccc1C 159759169 GYAJSEXQKVZFLC-QFBILLFUSA-N 265.400 4.557 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cc(Cl)ccc2F)c1 160862612 JTJMAQPUSPAMQL-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 164005964 UYFUCWAIHXDKOY-NSHDSACASA-N 284.325 4.814 30 10 CJEE CCCCCCC[C@H](O)c1cccc(OC(F)F)c1 168208700 HMWOVKXHBSPRPY-AWEZNQCLSA-N 272.335 4.682 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(Cl)c(F)c2)c1 215069492 LUUFGZKEDPPDJS-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(OC)cc2)C1 222251676 DSLXSLDVSRXMLH-IOASZLSFSA-N 275.417 4.506 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 228817796 BYRKGGUCVUYNFV-GHMZBOCLSA-N 272.219 4.999 30 10 CJEE CCCCCCC[C@H]1C[C@@H](NCC)c2ccccc2O1 229247668 UBZOQPBRLMEYQP-DOTOQJQBSA-N 275.436 4.849 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccccc2OC(F)(F)F)CC1 235294497 FTZMJKBPEWXCID-JTQLQIEISA-N 284.277 4.514 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1NCC(C)(C)C#N 258966867 UOPKNNKIJXFLDM-UHFFFAOYSA-N 258.409 4.563 30 10 CJEE CC(C)(C#N)Cc1cc(F)c(F)c(-c2ccccc2)c1 260511474 LKHMTXKXTZGIQX-UHFFFAOYSA-N 271.310 4.724 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CCCC(F)(F)C2)C1 306053244 WUCRUDSLHKZGJR-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCNC[C@H]1CCCSC1 306102177 PZBIACNWBVCRSJ-MRXNPFEDSA-N 271.514 4.860 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 312638569 IEKJABOIVXFBOS-VVLHAWIVSA-N 278.484 4.851 30 10 CJEE Cc1cccc(N[C@H]2C[C@H](C)c3ccccc32)c1C#N 313396021 SRHSPTSYRZRTAE-UGSOOPFHSA-N 262.356 4.527 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc3c(c2)CCC3)C1 316640079 ATJJKTFNMDGRDY-KXBFYZLASA-N 270.416 4.503 30 10 CJEE C=CC[C@H](C)[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 340437980 XLTALTSICYXMIH-JZXOWHBKSA-N 270.420 4.612 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCC[C@@H](C)C1)NN 382533131 WOMCPIKHGDUCOI-IXDOHACOSA-N 268.489 4.785 30 10 CJEE N#CC[C@H](Nc1cccc2ccsc12)c1ccccc1 386410808 JPEXYLLIRWIYIA-HNNXBMFYSA-N 278.380 4.968 30 10 CJEE C=C(COCC)[C@H](NCCC)c1cc2sccc2s1 387479472 CHDMPAYXUBKSAP-HNNXBMFYSA-N 295.473 4.596 30 10 CJEE C=CCCCN[C@@H](CCC)c1ccc(Cl)cc1 393831845 KDDJRZWRWBGUSU-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2sccc2Cl)CC1 394096764 XKZSUFLDEQYLRH-WPBUFGDCSA-N 297.851 4.935 30 10 CJEE CCCCCCCC[C@@H](COCc1ccccc1)NCC 395535946 SJABNRZPIGTOSK-IBGZPJMESA-N 291.479 4.932 30 10 CJEE N#CCc1ccc2c(Cl)c(C(F)F)sc2c1 396184560 BSRCQQYASNDGSA-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C[C@H](CCS)CCOc1cc(C(F)(F)F)ccc1F 396391792 ZPYPEUPLHQCMNC-VIFPVBQESA-N 296.329 4.569 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2c(OCC)cccc21 398220287 BUZZPZQUSAWFGW-GFCCVEGCSA-N 290.432 4.641 30 10 CJEE CCCC(CS)(CCC)COc1cccc2c1OCC2 401696151 VIVLCBCOZSZKSO-UHFFFAOYSA-N 294.460 4.517 30 10 CJEE N#CC1CCC(CN[C@H]2CCCC[C@H]2c2ccccc2)CC1 442872529 IDRSNEBENIJQAE-WXDAQCLHSA-N 296.458 4.632 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 464655958 KVUGKDLGJBWKLQ-FUHWJXTLSA-N 285.431 4.569 30 10 CJEE CCc1cc(OC(F)F)c(C(F)F)cc1C(F)(F)F 575653576 HGRQXDUKNQNRHI-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CC(C)c1ccccc1C(=O)/C=C\c1ccccc1 642882791 OKRSZUUKTMJDLD-SEYXRHQNSA-N 250.341 4.706 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2ccsc2)C1 688314961 IDCJHZVAYLUESQ-CYBMUJFWSA-N 277.433 4.528 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H](CC)CC(F)F 688744418 ASJGNJCALJLWSH-CHWSQXEVSA-N 261.400 4.638 30 10 CJEE N#CC[C@H](Nc1cccc(C2CC2)c1)c1ccccc1 690171907 RYGNDFMJTJMPSQ-SFHVURJKSA-N 262.356 4.631 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(Cl)cn1 695221517 QADZDEMGHKBQPZ-ZDUSSCGKSA-N 268.832 4.746 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCC(C)C 698450646 BBGOPLDOZQLPKC-YOEHRIQHSA-N 296.455 4.740 30 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251.458 4.785 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@@H]2CCCS2)CC1 715844453 VRFQOBNNEVQCPV-BBBYJDLNSA-N 268.466 4.694 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716637412 LYCRMAGLARKNAK-HMDCTGQHSA-N 251.458 4.617 30 10 CJEE C=CCCC(C)(C)NCc1c(CC)oc2ccccc12 717911110 PTAUSNOZUAKCKZ-UHFFFAOYSA-N 271.404 4.830 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1csc(C(F)(F)F)c1 718617732 UTILIYPRUPAIKO-JTQLQIEISA-N 297.773 4.950 30 10 CJEE CC1(C)CC(C[C@@]2(C#N)CCCc3ccccc32)C1 723584579 BPPXWRQUTPUFIW-GOSISDBHSA-N 253.389 4.611 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@H](C)O[C@H](C)C1 724258240 JOBZQYZWXPHFIG-YVSFHVDLSA-N 269.473 4.658 30 10 CJEE CCCCCCCCCC1(C(=O)O)C[C@@H](C)O[C@H](C)C1 724284908 ALAHAZKIVSPYKV-HUUCEWRRSA-N 284.440 4.786 30 10 CJEE CCCCCCCCCCNc1cc(C(F)F)ncn1 724625382 WPJOCPYPNNGFPL-UHFFFAOYSA-N 285.382 4.967 30 10 CJEE C=C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 1131134943 RLQXIMMGMJXJAS-RBUKOAKNSA-N 292.378 4.577 30 10 CJEE C=CCCCCN1CC[C@H](c2ccccc2F)C1(C)C 1175453268 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1474605606 PAKVVVBDTJBMDS-NSHDSACASA-N 279.811 4.993 30 10 CJEE C=CCCCCNC(=O)N[C@@H](CCCCC)C(C)(C)C 1477882469 BGYCPMMDOHTOFQ-HNNXBMFYSA-N 282.472 4.637 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC2(CCC2)CC1)c1ccccc1 1520810024 ORZRRQXRYPVJLU-GOSISDBHSA-N 297.442 4.529 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](C)c1cccc2ccccc12 1529487404 RPMZQANNIVNPKK-AWEZNQCLSA-N 281.399 4.619 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1544962875 GMQQCYJDBFPHFV-ZDUSSCGKSA-N 299.389 4.758 30 10 CJEE CC[C@H](C#N)SC1CCC(c2ccccc2)CC1 1559462186 FCPYGWQROGJTIA-HWOWSKLDSA-N 259.418 4.748 30 10 CJEE C=CCCc1ccccc1NCc1ccc(C)c(OC)c1 1560450672 LKKPTUDPYOOKLR-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cc(C)c(Cl)c(C)c1 1562692036 SVFQOZNFPAVZCR-UHFFFAOYSA-N 294.826 4.823 30 10 CJEE C=C1CCC(C(=O)N2CC(CC)(CC)c3ccccc32)CC1 1583117226 JIQUOTCVFAOMTN-UHFFFAOYSA-N 297.442 4.837 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccccc1F)c1ccccc1 1583544176 UTGZGEQYDNRFSB-GOSISDBHSA-N 297.373 4.653 30 10 CJEE 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C=CC[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)CC)c2)C1 1673662582 PDFSMQXUHHYGQL-HUUCEWRRSA-N 286.419 4.630 30 10 CJEE C/C(=N\OCc1ccc(C)cc1)c1cccc(Cl)c1 1857937778 JZKOSCKBEMXUCC-QGOAFFKASA-N 273.763 4.589 30 10 CJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(O)c2)c1C 1874717259 IDZJUURUTHHZGO-CMDGGOBGSA-N 280.367 4.522 30 10 CJEE C=C1C[C@H]2CC(NCCc3ccsc3Cl)C[C@@H](C1)C2 1883055386 OMGNWBUTQJRDIJ-NNQSOWQGSA-N 295.879 4.669 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1CCCC12CC2 1885237285 OQXAEBXENZKARS-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)c1cc(Cl)cs1)C1CC1 1887501015 OZLXVNCQRAYLAX-DZGCQCFKSA-N 295.879 4.882 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@H]1CCCC1(C)C 1888712458 SWHHNEMKFPEMPM-SJORKVTESA-N 257.421 4.504 30 10 CJEE C[C@]1(C(F)(F)F)C[C@H]1[C@@]1(C=O)CCCCC12CCC2 1909516717 OXUPMBLWZNFYAR-DYEKYZERSA-N 274.326 4.505 30 10 CJEE C=CCN(Cc1ccccc1)c1ccccc1[C@@H](C)NCC 1914953267 YRGLNSHJVSZLSE-QGZVFWFLSA-N 294.442 4.550 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917539305 CJGMPOLOHJIIMD-PNVOZDDCSA-N 264.453 4.780 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@](O)(CC)CCCC 1920984090 HRLKFLUIXUNECT-ROUUACIJSA-N 283.500 4.822 30 10 CJEE N#C[C@]1(Cc2cccc(F)c2Cl)CCCC12CCC2 1921634207 WMVAHBKYGXUYKK-MRXNPFEDSA-N 277.770 4.886 30 10 CJEE C=C([C@@H](COC1(C)CCCCC1)NCCC)[Si](C)(C)C 1922996973 RWKHJAJPHOIMHG-MRXNPFEDSA-N 297.559 4.528 30 10 CJEE CCCCCCCCCNCC1(C(C)(F)F)CC1 1926773503 QAEVWVLQQAIUFH-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE C=CC[C@H](NCCC)c1scc(Cl)c1Cl 1932293265 NFCANNONEVZOPS-VIFPVBQESA-N 264.221 4.672 30 10 CJEE C=CCCC[C@@H](N)c1cc2sc(C)cc2s1 1939633021 SLUJBQLAVKUTLU-SNVBAGLBSA-N 251.420 4.627 30 10 CJEE C=CCCCCCCN[C@H](C)CSC(C)(C)C 1941169964 UYJZKZNTMAVYKI-CQSZACIVSA-N 257.487 4.633 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(N)c1ccc(Cl)cc1Cl 1949150644 RNZQOQHMMTYXER-CQSZACIVSA-N 272.219 4.770 30 10 CJEE C=C(CC)C[C@](C)(O)c1ccc(Cl)c(Cl)c1 1980992772 DYVAOAHBAUIEKX-ZDUSSCGKSA-N 259.176 4.557 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cscc2Cl)CC1 1985317082 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CCCC[C@@H](C)CC[C@@H](C#CC1CCC1)NCCC 2337440579 ZNHYYHZCXXPRJV-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2337633989 GQTMSIGECAPCGG-OAHLLOKOSA-N 281.827 4.664 30 10 CJEE C=C(C)CCCC[C@](C)(CCCC(C)C)OCCN 2337649421 ULQODNRZBLNKGW-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CCC(CC=C)[C@H]1C[C@@H](NCC)CC2(CCC2)C1 2338659482 GWIHHYIQOQXOKW-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CC2(C1)CC2(C)C 2338746686 ISHBYMMXLMLCDE-PQUAAJSLSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCSC1(C)C 2338747629 RVDMVWCKGMJYNE-HOTGVXAUSA-N 281.509 4.655 30 10 CJEE CCCCCCCCCNc1ccc2ncoc2c1 2340538488 CNJYMYJEAWMKHD-UHFFFAOYSA-N 260.381 4.990 30 10 CJEE C=C([C@@H](NC)c1cc(F)ccc1C1CC1)C(C)(C)C 2341798835 JDJUPTCTJAJDKE-MRXNPFEDSA-N 261.384 4.566 30 10 CJEE CC(C)=CC(=O)C[C@@H](c1ccccc1)C1CCCC1 2342543338 AULVGAOJSRTRHZ-SFHVURJKSA-N 256.389 4.886 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CC(C)(C)[C@@H]1C 2342877086 UGUSUEAJCIMHNV-CABCVRRESA-N 285.541 4.869 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1CC[C@H]1C(C)(C)C 2343228579 DFHPSEXMUUJYQP-BZUAXINKSA-N 268.489 4.641 30 10 CJEE C=C1CC(CNC2CC2)(C[C@H]2CC[C@H]2C(C)(C)C)C1 2343384778 PWNCHMFDUFYUFY-GDBMZVCRSA-N 261.453 4.537 30 10 CJEE CC1(C)CC[C@@]1(C=O)Cc1cccc(C2CCC2)c1 2343807813 MOZZFJKTYPTJED-SFHVURJKSA-N 256.389 4.502 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC 2344385595 QJJOYHCDARYDFH-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=C[C@@H](C)C[C@H](C[C@H]1C[C@@H](C(F)(F)F)C1)NCCC 2352823097 LRFABJGGLIWVRF-YIYPIFLZSA-N 277.374 4.545 30 10 CJEE CC(C)c1cccc(N[C@H](C)CC(C)(C)C#N)c1F 2352884426 DQIBMDIQWSEROC-GFCCVEGCSA-N 262.372 4.689 30 10 CJEE CCCCCCc1ccc(C[C@@H]2CC[C@@H]3O[C@H]23)cc1 2353121850 MPJBIYSCLLBRDZ-OKZBNKHCSA-N 258.405 4.529 30 10 CJEE CSc1cc(Oc2ccc(Cl)c(F)c2)ccc1C#N 2353835052 QKBKSHBVTPFMDP-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@@H]1C)NC 2360180153 SXLSMRXLBCDZCR-FJIDUMEYSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)[C@@H](C)CC1CCC1 2360331700 WJEKCTLHRRZGPB-JQHSSLGASA-N 283.500 4.512 30 10 CJEE CC(=O)/C(=C\Nc1cccc(Cl)c1C)c1ccccc1 1398249 BJEUYZWVEAZVPT-RVDMUPIBSA-N 285.774 4.690 30 10 CJEE C#Cc1cccc(N[C@H]2CCCC[C@H]2C(C)(C)C)c1 21812385 DFRSMLTZOHJRLF-SJORKVTESA-N 255.405 4.685 30 10 CJEE CC(C)c1ccc(C(=O)[C@@H](C#N)c2cccc(Cl)c2)cc1 36930607 HFSZMFCGNXNYBM-KRWDZBQOSA-N 297.785 4.953 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)c(F)c1 36973048 HAERZACDIZAMNZ-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2)C1 37154140 QOUMPUWDWTWSAN-IIAWOOMASA-N 259.418 4.887 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2OC)C1 41030588 ZMAYFULUOBVHFN-CKEIUWERSA-N 289.444 4.896 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(F)cc1Cl 44814514 JCDRZNNYEUGKTP-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 54185541 OXCXNXXRTHUOPM-MISXGVKJSA-N 265.809 4.760 30 10 CJEE N#C[C@H](CCOc1ccccc1F)c1ccc(Cl)cc1 57685159 XXGKJHWSROGBQT-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C=O 59095610 FSMAVIDFDVWCRO-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE CC(C)(C)/C(N)=N/c1cc(Cl)c(Cl)cc1Cl 62988620 JHNFMPOISJIXRF-UHFFFAOYSA-N 279.598 4.682 30 10 CJEE Cc1ccc(C(C)C)cc1OCc1ccc(C#N)cc1 70133682 RZKPTJDRFPCZAD-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ccc(F)cc1C#N 71599798 RDTGMVAGALCTOP-UHFFFAOYSA-N 268.335 4.873 30 10 CJEE O=C(/C=C\c1ccc(Cl)cc1)/C=C/c1ccccc1 83306838 PZAALISHZLYIHV-UQXQTEIVSA-N 268.743 4.636 30 10 CJEE CC1CCC(C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 87930597 VZYVDJJOZWMXDX-UHFFFAOYSA-N 292.766 4.511 30 10 CJEE N#CC1(Sc2ccccc2Cl)CC2(CCC2)C1 90234098 UMTONDFYSSGBRF-UHFFFAOYSA-N 263.793 4.659 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC[C@@H]1CN 91323569 OCWPPMPOFBGDCR-SJORKVTESA-N 269.473 4.661 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCSc2ccccc2)C1 92273622 BFHMIZIQRHDTDR-GOEBONIOSA-N 259.418 4.889 30 10 CJEE Cc1ccc(C)c(OCC2(CS)CCCCC2)c1 94582875 WVYYAPRUDRRDNB-UHFFFAOYSA-N 264.434 4.563 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@H](CS)C(C)C 94583470 UGADWBIQVFMWCT-GFCCVEGCSA-N 272.841 4.538 30 10 CJEE N#CC1(Sc2cccc(F)c2)CC2(CCCC2)C1 97322646 RYVQNVDMIDKNAY-UHFFFAOYSA-N 261.365 4.534 30 10 CJEE CCCOc1c(C)cc(Cl)c(C)c1C[C@@H](C)CS 107651081 DLJVKRDYMLRJPM-SNVBAGLBSA-N 286.868 4.854 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(OC)c(Cl)cc1OC 107673968 XNCVFKHEIVXNBO-NEPJUHHUSA-N 280.795 4.510 30 10 CJEE CCCCCCC[C@@H](Cc1c(F)cccc1Cl)NC 109744741 UFZLROINVIQAAU-ZDUSSCGKSA-N 285.834 4.970 30 10 CJEE CCCCCCCCO[C@H](c1ccc(F)cc1)[C@H](N)CC 109988865 ZJGIFGYXJRRXKC-QZTJIDSGSA-N 295.442 4.981 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCC[C@H]2N 110095999 LDTGBJDXIIJJIY-GOSISDBHSA-N 275.436 4.762 30 10 CJEE CCCCCCCCn1cc(CNC)c2ccccc21 112931837 XNQFCRAFWDQBST-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCC[C@@H](NCCC)C1CCOCC1 114997047 YHFGWQRKCZCUBP-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C#N)CC(C)C 115063686 FKTBMXYXSILJJE-OAHLLOKOSA-N 251.414 4.882 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](C)c1ccncc1 117692132 MSNLGYPCUVKXIT-DOTOQJQBSA-N 263.425 4.687 30 10 CJEE CCCCCCCC[C@H](N)C1(N2CCCCC2)CCCC1 118178708 NSHSEJJOWKLQSU-SFHVURJKSA-N 294.527 4.863 30 10 CJEE CCCCCCC[C@H](N)Cc1cccc(F)c1Cl 122268762 DYIIZGPONHQOAB-ZDUSSCGKSA-N 271.807 4.709 30 10 CJEE CCCCCCCC[C@@H](CCc1cccc(C)c1)NN 122436286 WUCUGGICMCSBKH-SFHVURJKSA-N 276.468 4.510 30 10 CJEE C=CCCC[C@H](NC)c1c(Cl)cccc1Cl 128838278 IKGUQWQOUKYNRZ-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@H](O)C2CCC(C(C)(C)C)CC2)C1 130338428 PDZLPHNIVVKSBY-BJQCOLKSSA-N 277.452 4.530 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](N)c1ccc(F)cc1 140788417 IVEBLPWIGNPYAU-WMLDXEAASA-N 281.415 4.591 30 10 CJEE C=C(CC)C[C@H]1CC(C)(C)CC[C@@H]1CNCCC 156287094 JRPJLNCCXIPNLG-CVEARBPZSA-N 251.458 4.785 30 10 CJEE C=C(C)C[C@H](CCCCCCCCCCC)NN 158625566 YJLQDUBAJZYSBM-INIZCTEOSA-N 254.462 4.705 30 10 CJEE CCCCCCCCNC1=NC2(CCC(C)CC2)CS1 159404638 RDGJAQREYKYVHX-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CCCCCCCC(=O)c1cc2c(s1)CCC2 164715038 ZQRJWQCMQURTQV-UHFFFAOYSA-N 250.407 4.780 30 10 CJEE CCCN(CCC)[C@@](C)(C#N)Cc1cccc2ccccc12 212321859 JCZCJOCCELHGPG-HXUWFJFHSA-N 294.442 4.787 30 10 CJEE C=C(C)C[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 219339616 YBEBEJUJHRELHT-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE O/C(=C/C=N\Cc1ccccc1)c1ccc(Cl)cc1 222366171 MYJLWJOTWZNUHA-JRXAHFEWSA-N 271.747 4.510 30 10 CJEE CCCCCCCCCC(=O)C[C@@H](C)[C@@H]1CCCNC1 226721384 JFNBGFQMPMLZRN-IAGOWNOFSA-N 281.484 4.722 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1CCOC2(CCCC2)C1 228789985 BZSPMZNYOBYHEJ-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](N)Cc1nc(C)c(C)s1 228890168 LQBCOGMNYPDYKS-HNNXBMFYSA-N 282.497 4.770 30 10 CJEE CC[C@H](C)c1ccc(OC[C@@H](CC)CS)cc1 232360759 ZXUCECQEFMZWHY-QWHCGFSZSA-N 252.423 4.535 30 10 CJEE CCCC(CS)(CCC)CSc1nc(C)c(C)o1 232904019 DAZOEDKAVVNEIH-UHFFFAOYSA-N 287.494 4.900 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@@H]1SCC 232948733 LSCIIBMXCRNWGX-XHSDSOJGSA-N 271.514 4.999 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCC(C)C)C1 233301803 PGRJTSCRDCNULI-KFWWJZLASA-N 253.455 4.874 30 10 CJEE C=CCCCCC[C@H](CCOc1ccccc1)NCC 233601693 QMWSSJWONSHULA-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE C=CCCCCC[C@@H](CSc1ccccc1)NC 234425047 GLBRCKPMFNDLEG-HNNXBMFYSA-N 263.450 4.503 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@H]1C 251701961 QPSFYSNTBBGNQJ-WDMOLILDSA-N 296.336 4.814 30 10 CJEE Cc1ccc([N+](=O)[O-])cc1N=Cc1ccc2ccccc2c1 254493199 MIQJPZDQBZTBDO-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE CCCCCCC[N+](C)(C)[C@@H]1C[C@H](C(C)C)CC[C@]1(C)O 256123029 DIJKBRDXKVVKLG-QRVBRYPASA-N 298.535 4.609 30 10 CJEE CC(C)c1ccc([C@@](C)(C#N)Cc2cccs2)cc1 259514957 KMGGINWOAOBSCD-QGZVFWFLSA-N 269.413 4.895 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C)CC[C@H]1CNCC 300257676 PJPGOEFUBYRARM-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE C#CCCC[C@H](NCCC)[C@H](CCC)CC(C)C 308062607 VVOPBHKJUYQXFK-SJORKVTESA-N 251.458 4.621 30 10 CJEE CCCCCCCCCCN1[C@H](C)C[C@H](C)C[C@@H]1CN 312414689 XPDNDKVDFWXZGX-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CO[C@H]1CCC[C@H](C2(C#N)CCC(C(C)(C)C)CC2)C1 312731535 WCSJJIPGMJYTNE-LPMVOBIJSA-N 277.452 4.938 30 10 CJEE N#C[C@@]1([C@@H]2C=CCCCCC2)CCc2ccccc2C1 312755878 ZTZUVNUVNDMHIM-RTBURBONSA-N 265.400 4.822 30 10 CJEE CC(C)C[C@H](C)C[C@]1(C=O)CCCc2ccccc21 317151539 COIWCIKBKKIESQ-YJBOKZPZSA-N 258.405 4.532 30 10 CJEE CC1CCC(C=O)(CC(F)(F)c2ccccc2)CC1 317173218 IMHFRPIVEGHGQW-UHFFFAOYSA-N 266.331 4.564 30 10 CJEE CCSc1cccc(N[C@@H](C(C)C)C2CCC2)c1C#N 324705991 AUXOJKLAMSCMAO-KRWDZBQOSA-N 288.460 4.907 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(F)ccc1Cl 384833305 HHIZMEUBUCYIQB-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=C[C@](C)(CCC1CCCCC1)CNC(C)(C)C 385390974 GVLFCXJRLCQQIR-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1Cc2ccccc2S1 386747452 FXOQTZCBCDVKLN-GOEBONIOSA-N 289.488 4.674 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@@H](C(C)(C)C)CCS1 391310058 INIMAZGUUACGQA-CYBMUJFWSA-N 284.513 4.556 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc(Cl)nc2)CC1 394046498 CYJCZOGAKVVGBR-UHFFFAOYSA-N 276.811 4.778 30 10 CJEE CCCc1ccc(NC[C@@H](C#N)C2CCCCC2)cc1 397180611 FDJJAGRNFCCVOF-QGZVFWFLSA-N 270.420 4.771 30 10 CJEE Cc1cc(C)cc(CSC[C@@H](C#N)C2CCCC2)c1 397337779 LQPHKDRWGLMPME-QGZVFWFLSA-N 273.445 4.867 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCc2sc(Cl)cc21 398076551 BUGARAWLDMDRCM-CMPLNLGQSA-N 269.841 4.723 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1cc(C)sc1C 398137074 XWUKAPBVESBYJS-DGCLKSJQSA-N 251.439 4.760 30 10 CJEE CCCCCCCCCCCCN1CCCCN1 400289637 NGUXFUUIFHINEP-UHFFFAOYSA-N 254.462 4.508 30 10 CJEE CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 512649191 QTYOKKALOUFUQS-LIRRHRJNSA-N 296.389 4.745 30 10 CJEE CCCCCCC[S@](=O)CCCCOc1ccccc1 586379100 RVASAZOQWZITEK-FQEVSTJZSA-N 296.476 4.565 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@H](C)O[C@H]1C 686454082 AKZYACMYWHZCIU-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(N)cc1C(F)F 692254446 WJVFIWYFXCFDSK-SMDDNHRTSA-N 280.362 4.753 30 10 CJEE Cc1cc(NCc2cccc(Cl)c2Cl)ccc1C#N 693660007 YRVGCTAIRLJRKY-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC[C@H](C)CC3)C[C@@H](C1)C2 697305475 XUCONNUXIHXBGT-YGQTVHNMSA-N 261.453 4.680 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(C)[C@@H]1CCCC(C)(C)CC1 697852301 VLCXTBJOUWNYJS-LSDHHAIUSA-N 264.457 4.605 30 10 CJEE CC(C)c1nc(C(=O)C2=CCCCCCC2)cs1 702509966 NSQCDAXYAKOLOY-UHFFFAOYSA-N 263.406 4.730 30 10 CJEE C=CCCC(C)(C)CNc1snc2ccccc12 703982327 HLOLSMMQUGMKLK-UHFFFAOYSA-N 260.406 4.701 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cocc1C 705167133 MTPWPONKLWULJM-MRXNPFEDSA-N 266.429 4.623 30 10 CJEE CCCCCCCCO[C@H](C)[C@H](N)c1ccccc1F 708927686 XVSFFWITKKWADZ-PBHICJAKSA-N 281.415 4.591 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714427869 KHLMJDUYBYOSGP-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN1CCC(C(C)(C)O)CC1 716389264 BEUFHLLNLXINLA-UHFFFAOYSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@H](N)C1CCC(SC)CC1 720488475 IOAHWABVNSWYFU-NRXISQOPSA-N 257.487 4.596 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@@H]2C(C)(C)C)CC1 724611474 XCULKXVMTYIHFL-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE C=CCCC(C)(C)CNC1CCC2(CC1)COC(C)(C)C2 1179325372 WHPGSFPCRRDMIV-UHFFFAOYSA-N 293.495 4.696 30 10 CJEE C=CCCCCC[C@H](C)NCC1CCC(F)(F)CC1 1181213486 OJCPKKLIIUBDIM-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C#Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 1204657582 IZCKUAHNPSAVML-LJQANCHMSA-N 295.813 4.658 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)C1 1206598788 VPXLPPLHXHWQAX-HNNXBMFYSA-N 299.389 4.874 30 10 CJEE C=CCCCCCCCCN1[C@H]2CC[C@H]1CC(OC)C2 1209446131 RZQXXUSVASDVEK-IRXDYDNUSA-N 279.468 4.545 30 10 CJEE C=C1CCC(C(=O)O[C@H](C)c2c(C)cccc2C)CC1 1266300636 QNUIFCUVKCBCFD-OAHLLOKOSA-N 272.388 4.654 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C2CC2)c(C)c1)c1ccccc1 1296677770 UXTVRXMVNQVQNF-GOSISDBHSA-N 291.394 4.781 30 10 CJEE C=C(C)c1cccc(N[C@H](C)Cc2ccccc2F)c1 1308970243 FWVNBGNWMABKDR-CQSZACIVSA-N 269.363 4.902 30 10 CJEE C#Cc1cccc(NC(=O)NC2CCC(CC)(CC)CC2)c1 1310006184 DKPHTHOTKUMAEB-UHFFFAOYSA-N 298.430 4.538 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1311226662 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254.395 4.527 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cscc1F 2214612960 ITCIRVQEQHDDOO-CQSZACIVSA-N 255.402 4.804 30 10 CJEE CCCC#C[C@@H](NCCC)c1cc2sccc2s1 2218432778 QYUAPJJOFKBGBX-GFCCVEGCSA-N 277.458 4.807 30 10 CJEE CCCCCCCO[C@H](CCC)CN[C@H](C)CC 2222607722 JEMSQLWJUSANAH-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCO[C@H]1CCC(=O)C1 2223235427 TUDBJRJGSXSYPG-INIZCTEOSA-N 254.414 4.655 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]2C(F)(F)F)CCC2(CC1)CC2 2224455057 LVFOEFQXDDNOLE-NEPJUHHUSA-N 271.326 4.829 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 2225291056 XFMRNZQOVUDZSL-HZMVEIRTSA-N 260.421 4.908 30 10 CJEE CC[C@H](C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2225673741 JRJRDTWBTGZLOG-WCQYABFASA-N 298.213 4.852 30 10 CJEE C=CCCCCCCCCOC[C@@H]1CCCC(=O)C1 2225689399 ONPVRNDGHFZLHL-MRXNPFEDSA-N 266.425 4.679 30 10 CJEE C=CCCCCCCCNCC1CC(C2CCC2)C1 2227274957 LKQCOVBSDXNBBF-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)CCCCCC 2227292311 ZBKWTBCSXOUGMD-INIZCTEOSA-N 268.441 4.804 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC2CC(F)C2)C1 2227913274 KYRZDMBPMBGNEZ-UHFFFAOYSA-N 268.416 4.936 30 10 CJEE CCSc1cccc(N[C@H]2CC=C(C)CC2)c1C#N 2229073812 GHJJQXKGEQTAGK-ZDUSSCGKSA-N 272.417 4.581 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1CCO2 2229738189 CLXOMEFKXZSCQF-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE C[C@H]1C[C@@](C#N)(CCCCCCCC2CC2)CCO1 2230949681 GUKPBEKZPSKGOU-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCOC[C@H](C[C@H](C)CC)NC 2230979018 SNDXZYVTRXLAAS-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCCOC[C@@H](O)[C@H](C)CC 2231010489 DBRRYYKIBKYFHY-IAGOWNOFSA-N 272.473 4.941 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H](C)NCCC 2231907078 NUIMDCYJMAZWQB-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2231923508 BOFOEVMNWSEWOT-YLALRLGGSA-N 263.469 4.760 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C1CCCCC1 2231945730 JBMUXLHHGWZBRK-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=CCCCCCCCCOCCC[C@@H]1CCCNC1 2234168814 MPKVQWGRIKVZFU-SFHVURJKSA-N 281.484 4.700 30 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CCCCCCCCCCCOC(=O)CC[C@@H](N)CC 2239500985 QGXBRKXBXJJGOL-INIZCTEOSA-N 285.472 4.578 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1ccc(C2CCC2)cc1 2240384969 QFZCQYQQTRXDIY-IBGZPJMESA-N 264.368 4.701 30 10 CJEE CCCCCCCC[C@](C)(CN)N1C[C@H](C)CC1(C)C 2240571579 DVTWISMJDYTWPF-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 2240648780 LYTJXWQMBDUSCC-IECFSIQFSA-N 281.484 4.671 30 10 CJEE O=CC1(Cc2ccc3occc3c2)CCCCCCC1 2241178418 FMALOKBDVWQHOI-UHFFFAOYSA-N 270.372 4.905 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@H](N)CCS1 2252952099 BMQIDHHBSFBCCO-CABCVRRESA-N 257.487 4.740 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1ccc(Cl)nc1Cl 2258721503 OCLUOINJIUZLCZ-CQSZACIVSA-N 283.202 4.651 30 10 CJEE C=CCCCSc1ccc(C=O)cc1C(F)(F)F 2259071560 OPMPHKWLQGYWOU-UHFFFAOYSA-N 274.307 4.576 30 10 CJEE CO[C@@H](CC(C)(C)C)C[C@]1(C#N)CCCC1(C)C 2259129173 WTEUEPBBJPCQBI-BBRMVZONSA-N 251.414 4.548 30 10 CJEE C=C(C)CCCCC(=O)c1cc(C)c(F)cc1F 2259183646 NWCUTLZFCBITRR-UHFFFAOYSA-N 252.304 4.592 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CCC(C)(C)C1 2259195312 RDHFDBCMSBUSIG-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CCSC1)NCCC 2259238413 SPVAKSXAOUAATO-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@]1(C)CC1(C)C 2260321682 HTOJMXHIIZMCOF-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE Cc1cc2sc(C(=O)C#CC3CCCC3)cc2s1 2261044003 ORKXMXYBIYKDBF-UHFFFAOYSA-N 274.410 4.648 30 10 CJEE C=CCN(CC1CC(CC(C)(C)C)C1)C(C)(C)C 2261268013 UWOTUAVZZIUMHP-UHFFFAOYSA-N 251.458 4.735 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)c1cc(Cl)cs1 2261532543 SXHRNXJMCLGGJH-GXTWGEPZSA-N 289.872 4.513 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H](CC)CCC 2262745998 ZUHDVDUQVSOSKI-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCC[C@H](Cc1csnc1C)NCCC 2265506146 PNYWSXGYDNRTRL-MRXNPFEDSA-N 282.497 4.723 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(C)CCC1 2268751077 SQCSLXBFVYKMRI-MRXNPFEDSA-N 261.453 4.541 30 10 CJEE C=CCCCOC(=O)c1sccc1-c1ccccc1 2269616495 XSNKLIPEKPZNRH-UHFFFAOYSA-N 272.369 4.538 30 10 CJEE C=C(C)CCCCC(=O)c1cc2ccccc2cn1 2271759917 YWPQIHQWIRHDPY-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE C=C(C)CCCC[C@@H](NN)C1(C)CCC(C)(C)CC1 2271776838 JOYFCGWORXNRTN-OAHLLOKOSA-N 266.473 4.561 30 10 CJEE C=C(C)CCCC[C@]1(N)CC[C@H](C)c2ccccc21 2271790711 IUUIFTDKQSQEDS-YJBOKZPZSA-N 257.421 4.874 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)CCCCC1=O 2272282743 USEGPPYYGIKRPM-WBVHZDCISA-N 263.425 4.882 30 10 CJEE C=CCCCC[C@](CC)(CCCCC)OCCCN 2276519983 HJNDCFKXOCXQKW-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCCN1CC[C@@]2(CCC(F)(F)C2)C1 2277727699 LMDMGZWSZWSJAO-OAHLLOKOSA-N 273.411 4.858 30 10 CJEE C=CCCC[C@H](C)NCc1sc(C(F)(F)F)cc1C 2277871937 BCEZQUTXWLMEGF-NSHDSACASA-N 291.382 4.910 30 10 CJEE CCCCCCCCC[C@H](C)Nc1cn(C)nc1C 2278233003 FSEWWAQVIINPBG-AWEZNQCLSA-N 265.445 4.670 30 10 CJEE CCCCCCCC[C@@]1(C)N[C@@]2(CO1)C[C@H]1CC[C@H]2C1 2283872198 KABDQNYOONJMLH-XLAORIBOSA-N 279.468 4.632 30 10 CJEE CO[C@H](CS[C@@H]1C[C@H](C)CC[C@H]1C#N)C1CCCCC1 2283993505 MWXIDPOFAMTPKQ-XLNGHYISSA-N 295.492 4.643 30 10 CJEE CCCCCCC[C@@H](Cc1cc(OC)ccc1Cl)NC 2284394197 VRSOHGLQFPCUBT-HNNXBMFYSA-N 297.870 4.840 30 10 CJEE C=C1CC([C@@H](NC)c2cccc(-c3ccccc3)c2)C1 2285322637 GJQXXVLRZYQANX-IBGZPJMESA-N 263.384 4.580 30 10 CJEE C=CCCCSC[C@@H](NC)c1ccc(C(C)(C)C)cc1 2287065465 MXWCGVHOROQWSH-QGZVFWFLSA-N 291.504 4.944 30 10 CJEE C=CCCCS[C@@H]1CCc2ccccc2[C@H]1NCCC 2287065800 QWXCUHWXZIHIRJ-QZTJIDSGSA-N 289.488 4.742 30 10 CJEE N#CC1(CNc2cc(C3CC3)ccc2F)CCCCC1 2287312599 IYJRDNQHHDAJGX-UHFFFAOYSA-N 272.367 4.589 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H](C2CC2)CCS1 2287882536 BXNHLTMETNACCE-HOCLYGCPSA-N 296.524 4.700 30 10 CJEE CC[C@H]1NC(=Nc2cccc(C3CCCC3)c2)S[C@H]1C 2289182632 RKJHEAHPBVPORP-BLLLJJGKSA-N 288.460 4.835 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2cnc(C(C)(F)F)s2)CC1 2289264754 NXUXUFRZGYDSFO-SNVBAGLBSA-N 299.386 4.820 30 10 CJEE C=C1CC([C@H](NCCC)c2cccc(CC3CC3)c2)C1 2289458340 FIGCPHLYNSZONH-LJQANCHMSA-N 269.432 4.646 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@]1(C)CC=C(C)CC1 2289790035 VHRIIJAYEBICTO-OALUTQOASA-N 273.464 4.685 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)[C@@H]1C[C@@H]1C 2290916592 AOORNHHEVPWXHZ-UXLLHSPISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCCC(=O)O)CCC2(CC2)C1 2291776898 XKEYQDLZVDVCLL-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCCSCC1 2292644647 MVUOTLZOKLDVAA-QGZVFWFLSA-N 299.524 4.534 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C1CC(C)(C)C1 2292647793 RNVDHNHLXVOKMY-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCN)c1ccc(Cl)cc1 2292799714 PRAGNEKUHNKWMC-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE CCCCCCCCC[C@H](C[C@]1(C)C[C@@H]1C)OCCN 2292846729 KYYAZIZXRBMPNG-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@@](CC)(OCCCN)C1CCCCC1 2293364527 UKQOJEDOIBXYDZ-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCCC[C@H]1C(C)C 2293574974 JIDOOPRUARHHBO-ROUUACIJSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1cc(C)c(C)s1 2293993953 IGIJGLFCXJEYRF-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(Cl)cc1C 2294033562 TVZRTQKGQOWCTG-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H](C)[C@H](C)C1 2294046882 CIYWMECPKPBBRH-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)C1CCC(C)(C)CC1 2294229827 CTBVXSHLVGLVFE-RDJZCZTQSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCC[C@H]1C(C)C 2294355345 JOKISRCHLLEXNK-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1CCC2(CC2)C1 2294360041 BZZNQVYKZPYRJA-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1CC(F)(F)C1 2294455385 KHTVYBZIEKSCCN-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](O)C(CC)CC 2295667700 AOHBTIGAFCFVJO-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](CC(C)(C)C)NC 2295682518 QZHQPKOOZQWPJK-WMZOPIPTSA-N 285.516 4.902 30 10 CJEE C#C[C@H](C)[C@](C)(CCCCCCCCC)OCCCN 2295687944 ZGJLKDFHRXLKQD-ROUUACIJSA-N 281.484 4.521 30 10 CJEE CC1CCC(CSC[C@@H](CS)C2CCC2)CC1 2298953023 NSXBJLOQRCFAMW-SSDMNJCBSA-N 272.523 4.892 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@H](C)NCC)cc1C 2313686896 QZLKBTRSFDVLCD-KGLIPLIRSA-N 263.450 4.722 30 10 CJEE C=CCC[C@H](C)Oc1ccc(CC(F)(F)F)cc1 2315141088 IJFJBXXNGXWBOU-NSHDSACASA-N 258.283 4.525 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCC[C@@H](CCC)CC1 2316742910 DHRJMUXAUHHGSI-WBVHZDCISA-N 250.426 4.866 30 10 CJEE C=CCC(CC=C)[C@H](O)C1(CC(C)C)CCCC1 2316744448 ODOBEJUJFLOLBE-INIZCTEOSA-N 250.426 4.722 30 10 CJEE C=CCC(C)(C)CNCc1ccc(Cl)c(Cl)c1C 2316834903 VVPSUZBKHLMMGN-UHFFFAOYSA-N 286.246 4.994 30 10 CJEE Cc1c(COCCCCCC#N)ccc(Cl)c1Cl 2317232396 OOQJYCMNYNAURB-UHFFFAOYSA-N 286.202 4.902 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCC[C@@H]2C[C@H]12 2319677560 PPPZLWRFESNRCX-IKGGRYGDSA-N 251.458 4.857 30 10 CJEE Cc1ccc(C=NNc2nc(-c3cccs3)cs2)cc1 2324119842 WDQXRKMWITYSSL-UHFFFAOYSA-N 299.424 4.626 30 10 CJEE C=C1CCC(NCc2cc(F)c(Cl)cc2Cl)CC1 2325173624 AHINBOYVXLDYQG-UHFFFAOYSA-N 288.193 4.721 30 10 CJEE C=CC12CC(CCN1Cc1c(Cl)cccc1Cl)C2 2326726660 NUWPGNICHCYJQC-UHFFFAOYSA-N 282.214 4.534 30 10 CJEE C[C@H](CC(C)(C)C)N(C)C[C@@](C)(CS)C(C)(C)C 2327279727 UYBPDRFEFADUNV-CJNGLKHVSA-N 273.530 4.725 30 10 CJEE CC(C)C[C@@H](CS)COC[C@H]1CC12CCCCC2 2328524846 BQCMHOGHPKLBFF-HUUCEWRRSA-N 270.482 4.566 30 10 CJEE CSc1cc(SCC2CC(C)(C)C2)ccc1C#N 2328534075 DITVCRJRXCNVJJ-UHFFFAOYSA-N 277.458 4.808 30 10 CJEE C=CC[C@H](C)SCc1c(C(=O)O)sc2ccccc12 2335204561 VEJSIYKFQUZFNO-JTQLQIEISA-N 292.425 4.797 30 10 CJEE C=CC[C@@H](C)Sc1cccc(C)c1CNCC(C)C 2335244099 DBPAOMWDZFHSFM-OAHLLOKOSA-N 277.477 4.797 30 10 CJEE C#C[C@H]1N(CCCCCCCCCC=C)CC1(C)C 2336103403 DQVVRYLWPZLQQO-QGZVFWFLSA-N 261.453 4.637 30 10 CJEE COc1c(Cl)cc(C[C@]2(C#N)CCC2(C)C)cc1Cl 2339972597 JFVCOBZJUPCCGR-HNNXBMFYSA-N 298.213 4.874 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2344460004 NHBQNMMSPRIJPF-ILOCAZANSA-N 264.453 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C(F)(F)F)cc1 2344468852 QWCSAWNDMXLHRY-KBPBESRZSA-N 272.310 4.731 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(C(F)(F)F)ccc1C 2344474998 FCUOJQMTYATRBY-CYBMUJFWSA-N 272.310 4.650 30 10 CJEE C=C1CC([C@@H](NCC)c2cc(C)ccc2C(C)C)C1 2352924215 RIFCWOZBWNZVCU-GOSISDBHSA-N 257.421 4.735 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@@H](C)c1ccc(Cl)cc1 2353843500 SQDVLZHQJCNBJT-KBPBESRZSA-N 299.911 4.925 30 10 CJEE C=C(C[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21)OC 2355181218 VQHQXENAAFSZCJ-XSLAGTTESA-N 279.468 4.511 30 10 CJEE CCCCCCCCCC(=O)[C@H]1OC[C@@H]2CCCC[C@H]12 2358473263 DHDZIFUKOAJOKZ-BQFCYCMXSA-N 280.452 4.901 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@@]2(C)C[C@H]21 2360079118 CAOLRHZIVVKHHU-FGTMMUONSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)SCc1ccc([N+](=O)[O-])c(NCCC)c1 2360200166 GAEAAZJFLZBJNW-LBPRGKRZSA-N 294.420 4.615 30 10 CJEE CCCC#C[C@@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360220306 UIEHJHVXKMTNEU-MRXNPFEDSA-N 293.838 4.501 30 10 CJEE C#Cc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 20562561 IYMHGBSHVQTYMC-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cccc2ccccc12 37937028 VOZUILPUHYCFME-GOSISDBHSA-N 276.314 4.656 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CC)Nc1cccc(Cl)c1 37937179 RRDGXBYTYJFASL-DOMZBBRYSA-N 264.800 4.860 30 10 CJEE CC[C@H](C)Oc1cccc(N[C@H]2CCCCC[C@@H]2C#N)c1 54829419 QFGPMADAUDZQFK-DAYGRLMNSA-N 286.419 4.748 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2ccc(F)cc2)c1 57685554 CYWIDPIMEQRDGR-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE Cc1c(/C=N/c2cccc(Cl)c2)c2ccccc2n1C 59247917 HDIWQQIXABXQJP-YBFXNURJSA-N 282.774 4.891 30 10 CJEE CC(C)c1ccccc1/N=C1/N[C@H](c2ccccc2)CS1 63001257 ZLAVBFKRQFNHMC-KRWDZBQOSA-N 296.439 4.875 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1C 77078776 STBDEOXLANAKGO-UHFFFAOYSA-N 253.345 4.753 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 88191174 UMVUFDBDKYGKEE-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@H](C(C)(C)C)CC2)C1 91903524 QAPCIWCZAGLDSZ-FZCLSBEQSA-N 277.452 4.674 30 10 CJEE CC1(C)CCC[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 94305130 JGPGGGIBJVFKFT-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE CN(CCCCCCCCCS)C1CCCCC1 97799164 QEPGHNAIGODPRM-UHFFFAOYSA-N 271.514 4.911 30 10 CJEE CCCCCCCn1c([C@H](C)N)nc2cc(C)c(C)cc21 104068078 BFRSDUWEGBYJFG-HNNXBMFYSA-N 287.451 4.643 30 10 CJEE CCCCCCCNCc1ccc(F)cc1Cl 106265547 FRYMJVYRVNBRGS-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCOc1cc(C)c([C@@H](C)CCC#N)c(C)c1C 107639896 XTGPHNLPHZZIDN-LBPRGKRZSA-N 259.393 4.808 30 10 CJEE C=C[C@@H](C)Oc1c([C@@H](C)NCCC)ccc2ccccc12 110094109 CLAJJDPZRURKMB-HUUCEWRRSA-N 283.415 4.854 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2ccccc2n1 112639601 GMFVDAXPVXGKTO-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCCNc1ccc([N+](=O)[O-])cc1F 112948350 STMSLTPGCFVUHX-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(C)c1F 122255238 DETHCTLTPGMVMU-INIZCTEOSA-N 280.431 4.779 30 10 CJEE CCCCCCCCC[C@]1(O)CCCS[C@H]1C 124711755 JAIBEFBVCJCRPA-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE CCCCCCCCOc1nc(CCC)nc(NC)c1C 125337094 PFURGPMRSWMKMX-UHFFFAOYSA-N 293.455 4.519 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc2c(s1)CCSC2 125750933 FZEDDUVCOUPHFB-AWEZNQCLSA-N 295.517 4.934 30 10 CJEE C=CCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 133249210 ZAGLRPSBADUPOZ-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C=CCCC[C@@H](O)c1cccc(OCc2ccccc2)c1 136390850 MLCYSKDBHPOKCE-LJQANCHMSA-N 282.383 4.655 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@](C)(CC)OCC 158399028 IHFYCACEMJSPCA-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@H](N)[C@](C)(CC)OCC 159867379 IDJAVMDYODOLFY-CVEARBPZSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC(=O)Cc1ccn([C@H](C)CC)n1 166112606 GQDCHUHQIRZPAZ-OAHLLOKOSA-N 278.440 4.716 30 10 CJEE C=C(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 167458623 RZEGKAXBMKFDHB-MRVPVSSYSA-N 278.610 4.874 30 10 CJEE C=CCC[C@@H](NCCC)c1ccccc1C(C)(C)C 167807518 NTITXRGGOYJAQV-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE Cc1ccc(/C=N\Nc2nc(-c3cccs3)cs2)cc1 169967595 WDQXRKMWITYSSL-SXGWCWSVSA-N 299.424 4.626 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(C#N)c(Br)c1 228187937 OHEUFJKECPMKRR-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE C=CCC[C@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229382167 UFUAELLPLWYABV-HZOPKGLOSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCOCCc1ccccc1N 229485595 UQNPPDIXADAOFA-UHFFFAOYSA-N 263.425 4.579 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)CC1 234069922 WTYORASXNRCULV-GXTWGEPZSA-N 276.811 4.982 30 10 CJEE CSc1cccc(NC[C@H]2CCC[C@@H](C)C2)c1C#N 235091358 RNMITFRVIPSKQL-OLZOCXBDSA-N 274.433 4.518 30 10 CJEE CC(C)(C)OC(=O)N(C#Cc1ccccc1)C1CCCCC1 238122749 OZRIQWLFCIYQHM-UHFFFAOYSA-N 299.414 4.565 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1ccc(C(C)C)cc1 251629467 FJRIXAZGBKIMKM-QZTJIDSGSA-N 270.420 4.639 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1N 252394228 GYQXIPBAPRPKLS-GVDBMIGSSA-N 283.500 4.906 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)(C)C 252763002 NRLJVMFVIHWQFU-KURKYZTESA-N 277.496 4.867 30 10 CJEE CC[C@@H](C#N)c1sc(-c2sccc2C)nc1C 259370789 REHSUDUSTHPJPR-JTQLQIEISA-N 262.403 4.506 30 10 CJEE C=CCCCCC[C@@H]1CC(C)(C)CC[C@H]1CNC 300257710 QFSSYFSHZMZDOV-CVEARBPZSA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@H](C)S1 300422928 VSLJQMKGYIFSNK-AJNGGQMLSA-N 289.554 4.561 30 10 CJEE CC[C@H](C)C[S@](=O)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 300450838 ZRPCURLDPVQLSV-NKGVLGIYSA-N 297.508 4.526 30 10 CJEE CC1(C)CCC(C#N)(c2snc3ccccc23)CC1 311678392 MUBZNDVMNJFPFW-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1/C=C\C(=O)O 312191853 VOIDLWFIKDEMOK-KHPPLWFESA-N 294.778 4.563 30 10 CJEE C=CCCCCCCN[C@H](CC)c1ccccc1OC 312453728 OXHRZBFMRPKPRE-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)C1(C)C 312457906 ABWPICMSVQCUQN-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE O=CC1(CCCCC2CCOCC2)CCCCCC1 316471186 QTJIZFKJGPTEJT-UHFFFAOYSA-N 266.425 4.513 30 10 CJEE CCC(CC)OCC1(C=O)CCC(C(C)(C)C)CC1 317574965 MHBMCWYCAMQPNI-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC23CCCC3)C1 380456182 OGAHUPSZVHUXIH-ZACQAIPSSA-N 274.452 4.504 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)cc2c1OCC2 384986741 KDOSTDBVNQLSFT-SJCJKPOMSA-N 289.806 4.537 30 10 CJEE C=CC(C)(C)CN[C@H](CC)c1ccc(Cl)cc1 385042159 OGAMEXSFZCZPAZ-CQSZACIVSA-N 251.801 4.593 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)CC1 393431219 OVZXSDSCXWUHJO-FQBRJNOBSA-N 275.436 4.834 30 10 CJEE Cc1ccccc1N[C@H](C#N)C1(C)CCCCCC1 394674984 RHBLRQUUKFQPHZ-MRXNPFEDSA-N 256.393 4.660 30 10 CJEE CC(C)[C@H](C#N)CSc1ccc(C(C)(C)C)cc1 397546165 GAODNWLORWTQAT-CYBMUJFWSA-N 261.434 4.872 30 10 CJEE CCCCCCCC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C 405695501 DNDINLKXEZICSO-CQSZACIVSA-N 299.455 4.609 30 10 CJEE C=C(C)CCS[C@H](C)c1nnc(-c2ccc(C)cc2)o1 419482821 YLJKINQUVOJDTP-CYBMUJFWSA-N 288.416 4.805 30 10 CJEE CSc1ccc(CNc2cccc(Cl)c2C#N)cc1 511679964 GLNORNXJODJQEX-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 613901725 SGMIUEZXFGKUBD-CGTJXYLNSA-N 297.442 4.913 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@H]1C 686485988 IJSDTSKSKVKCOJ-NXOAAHMSSA-N 269.473 4.529 30 10 CJEE CCCCCCCCC[C@H](O)CCCOC(C)C 689496379 DTCQSHVLOSFZDH-INIZCTEOSA-N 258.446 4.693 30 10 CJEE C[C@](O)(CC1CCCCC1)C1(C#N)CCCCCC1 689823213 SHVISUPDXMJRKA-INIZCTEOSA-N 263.425 4.572 30 10 CJEE N#Cc1ccccc1Nc1ccc(SC(F)F)cc1 690180875 KMXVEGRPAIDASH-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(SC(F)F)cc2)c1 690182496 TWWDDKPAJOWTGT-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1 692251380 ARDARBJZLUNKEV-GOEBONIOSA-N 263.812 4.565 30 10 CJEE CC(C)(CC(F)(F)F)C[C@]1(C#N)C[C@H]2CC[C@H]1C2 694111723 ZRENBEKVHBJNMX-GVXVVHGQSA-N 259.315 4.685 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)NC1CC1 695803914 KJUUAHNJMXZTGD-SJLPKXTDSA-N 283.500 4.799 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCC[C@H](C)C1 703236286 AJXKOPBADPWYOJ-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@H](CC)CC1 704039016 UEKBMALLYNCPMO-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 709102386 AJDBBTGSIPBUSJ-ZWNOBZJWSA-N 295.785 4.728 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@H]2CC[C@@H](N2)[C@H]1C 709335403 ULHRJVVGMBYORK-QBPKDAKJSA-N 269.448 4.996 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(C#N)Nc1ccc(Cl)cc1 713083024 OQBDYLDTUXQISY-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C[C@H]1CCCC1(F)F 713951346 NIHSOQYAWZPRDP-HUUCEWRRSA-N 285.422 4.620 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cscc1Cl 715717469 CENRFDMDORVFQM-GXFFZTMASA-N 257.830 4.654 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@H](C)c2ccc(Cl)cc2)N1 716913306 VHIOVUWEIDVJSG-MISXGVKJSA-N 296.867 4.651 30 10 CJEE C#CCCCCC[C@@](O)(CC)CC1CCCCC1 720971642 YMKWTZRXXKEBGP-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE CCCCCCC[C@@]1(C)[C@@H](C)C(=O)NC1(CC)CC 721782777 WPXPGRJDPSFGBV-HOCLYGCPSA-N 267.457 4.678 30 10 CJEE CC(C)c1ccc(C#Cc2cccc(Br)c2)cc1 725418391 ZWLHEYXDUKYASP-UHFFFAOYSA-N 299.211 4.972 30 10 CJEE Cc1ccc2nc3c(c(C)c2c1)[C@@H]1O[C@@H]1c1ccccc1-3 725421558 XGAXQVOCXOFDNH-MOPGFXCFSA-N 273.335 4.645 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C1CC1 789718996 MIUBRBUPMXCVEY-CQSZACIVSA-N 285.431 4.913 30 10 CJEE C=CC[C@@H](OC(=O)c1nc(C(C)C)oc1C)c1ccccc1 802777160 GRMZYSVSAVBJOP-OAHLLOKOSA-N 299.370 4.581 30 10 CJEE CC(=NNc1ccc(F)c(F)c1F)c1ccccc1Cl 814944937 DIHRTFKEVZPQNY-UHFFFAOYSA-N 298.695 4.593 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)C[C@H](C)CC)c1ccccc1 1126433072 SBLWPEZKDMXHEC-NUJGCVRESA-N 287.447 4.677 30 10 CJEE C=CC1(CC(=O)NCC(C)(C)C2CCCC2)CCCCC1 1127276790 MHDZALHMLFUGAV-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCCC1(C)C 1131106123 OTYJZURCXMKZME-BRWVUGGUSA-N 291.479 4.844 30 10 CJEE C=CCCC[C@H](C)Nc1nc(C)nc2sc(CC)cc12 1162917321 WVPKPUOTMVTLJJ-NSHDSACASA-N 289.448 4.719 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)cs1 1163715545 GEXAUZOVVMVXAL-VHSXEESVSA-N 290.354 4.709 30 10 CJEE C=CCN(CCCCc1ccc(Cl)c(Cl)c1)C1CC1 1168437042 IJZDXLVPLBEWRR-UHFFFAOYSA-N 298.257 4.967 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(COC(C)(C)C)c1 1179547158 LENILNKRRUETMH-UHFFFAOYSA-N 289.419 4.543 30 10 CJEE C=CCCCN(C)c1ccc(Oc2ccccc2)cc1 1192117272 WZZYEBQRTYSNKL-UHFFFAOYSA-N 267.372 4.881 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1 1203113541 NCFLFOBSRWJCGO-QUCCMNQESA-N 298.474 4.511 30 10 CJEE C=CCC1(NCc2ccc(OCCC)cc2C)CCCC1 1203136545 REWOZASEULVAGW-UHFFFAOYSA-N 287.447 4.762 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(Cl)c(OC)c1 1205561300 IKGQUQXVJZCNPQ-LBPRGKRZSA-N 267.800 4.895 30 10 CJEE C=CC(C)(C)CCNC1CCC(C#N)(c2ccccc2)CC1 1206777279 OQZPSCXHIHJHNV-UHFFFAOYSA-N 296.458 4.582 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCOC(C)(C)C1 1258041267 RCMMJUVBRCQPQP-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=C(C)CCN(Cc1ccccc1)c1ccc(OC)cc1 1307570695 QBEFSWOTKGEVRS-UHFFFAOYSA-N 281.399 4.668 30 10 CJEE C=CC[C@H]1CCN1Cc1c(OC(C)C)ccc2ccccc12 1308138992 BYZYJSNWOJDHPE-KRWDZBQOSA-N 295.426 4.777 30 10 CJEE C=CC[C@H]1CCN1[C@H](C)c1ccc(Cl)cc1Cl 1308141996 RLXMSUUHUVBVKF-PWSUYJOCSA-N 270.203 4.705 30 10 CJEE C#CCN(C(=O)CCCC1CCCCC1)C1CCCCC1 1352043729 ORZSNRRHUDCVMJ-UHFFFAOYSA-N 289.463 4.532 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](CCC(C)C)C(C)(C)C 1360522039 SWJTUXMVNYWUFN-LSDHHAIUSA-N 267.457 4.556 30 10 CJEE C=CCC[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 1435620622 JKLNBUAPCSSSIB-LJQANCHMSA-N 297.442 4.636 30 10 CJEE C#CCCCCCCNC(C)(C)c1cccc(Cl)c1F 1460000053 VVEISCQFLDQPGH-UHFFFAOYSA-N 295.829 4.888 30 10 CJEE C=CCCc1ccccc1NCCCc1ccc(C)nc1 1462149653 NYOTZOVWZHYGEI-UHFFFAOYSA-N 280.415 4.553 30 10 CJEE C=C1CCC(CNC[C@@H](C)c2cccc(Cl)c2)CC1 1462568447 VGJFMDILQUWDTC-CQSZACIVSA-N 277.839 4.780 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCC[C@H]1[C@@H](C)CC 1471015959 HTFHEGMBJZYBKV-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=CCC1(NC[C@H]2CCCCC2(F)F)CCCCC1 1473719941 XLZJXRXCAVOVPD-CQSZACIVSA-N 271.395 4.681 30 10 CJEE C#CCCCCCCN1CCC(c2cccc(F)c2)CC1 1473770977 PUKWHLQXXNCLFM-UHFFFAOYSA-N 287.422 4.589 30 10 CJEE C=CC(C)(C)CCCNC[C@H](C)c1ccc(C)cc1 1474695985 ATUBMSKWMNRISR-INIZCTEOSA-N 259.437 4.681 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCOC12CCCCC2 1474730141 OWBVXSREQCLMQJ-IAGOWNOFSA-N 279.468 4.593 30 10 CJEE C=CCCCNC(=O)N[C@@H](CCCCC)c1ccccc1 1477771269 GYAAICCCOLSZAO-KRWDZBQOSA-N 288.435 4.573 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](CC)CC1CCCC1 1526100054 RLNPFMZVCKGPID-LJQANCHMSA-N 299.458 4.808 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](CC)CCCC 1538890058 IXVWSGLRHPCSEN-ZACQAIPSSA-N 279.468 4.844 30 10 CJEE C=CCCN[C@@H](C)c1cccc(SC(F)(F)F)c1 1560154715 QSLATXGUJFDAEW-JTQLQIEISA-N 275.339 4.525 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC/C=C\c1ccc(F)c(F)c1 1560531165 VXDSLRNFQAPYRR-JYAXHDLFSA-N 291.385 4.703 30 10 CJEE C=CCCCC[C@H](C)NCC[C@@H]1CCc2ccccc21 1560860766 WKASZZLXGNNYBA-WMZOPIPTSA-N 271.448 4.831 30 10 CJEE C=CCC[C@H](C(=O)N1C[C@@H](C)CC(C)(C)C1)c1ccccc1 1566819035 PQUMXNOUSJKJGU-WMZOPIPTSA-N 299.458 4.631 30 10 CJEE C=CC1(CC(=O)Nc2ccc(CCC#N)cc2)CCCCC1 1598261151 MJMPKONQMJWBOV-UHFFFAOYSA-N 296.414 4.608 30 10 CJEE C=CCCCN(CC)c1ccc(C(F)(F)F)c(Cl)n1 1613029774 DEOLMKHIOJQGJD-UHFFFAOYSA-N 292.732 4.546 30 10 CJEE C=CCCCCN1CCC[C@H]1c1c(C)cccc1C 1620385863 DIPVLZRQTFMERU-KRWDZBQOSA-N 257.421 4.797 30 10 CJEE C=C1CC(C)(C(=O)Nc2cccc(-c3ccccc3)c2)C1 1626985541 HLCLWFBCFLCPAG-UHFFFAOYSA-N 277.367 4.648 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 1633163919 BYHQIKNLQFHSKB-INIZCTEOSA-N 291.822 4.654 30 10 CJEE C=CCCCCN(CCc1ccccc1F)[C@@H](C)CC 1644445559 NQYPRUVOEILOOC-INIZCTEOSA-N 277.427 4.825 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(Cl)cc1C 1648526129 NHKZQTNOPJCKCR-MRXNPFEDSA-N 263.812 4.579 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)ccc2F)c1 1651651136 BXPGSFGEZVHXRG-UHFFFAOYSA-N 255.336 4.779 30 10 CJEE C=C1CCC(CN[C@H](CC)CCc2ccccc2)CC1 1653081465 GEYVMUWYVNMDOK-LJQANCHMSA-N 271.448 4.734 30 10 CJEE CCCCCCCCCN1CCC[C@H](OC2CCC2)C1 1654062427 LBXYNFJIEMTAEO-SFHVURJKSA-N 281.484 4.771 30 10 CJEE C=CCCCCCN(C)Cc1c(Cl)cccc1OCC 1657377494 CMSSSQLHECMHRY-UHFFFAOYSA-N 295.854 4.917 30 10 CJEE C#CCCCCCCNc1cc(C)cc(Br)c1 1657828646 QKXHSELRBVJUGE-UHFFFAOYSA-N 294.236 4.753 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 1657906655 WFWUOSHQAUBQFW-TWKWOARYSA-N 287.422 4.796 30 10 CJEE C=CCCCCCN(C)Cc1cccc(Cl)c1OCC 1659099167 AHHZOYFRJVQNGE-UHFFFAOYSA-N 295.854 4.917 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2cccc(OCCCC)c2)C1 1660961961 VEWNMRDSEJQYOL-AEFFLSMTSA-N 287.447 4.700 30 10 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CC1(C)CCC[C@](C=O)(C[C@@H]2CCC3(CCC3)O2)CC1 2157102527 ZQDQJQMONKGCOT-DOTOQJQBSA-N 278.436 4.654 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=N[C@H]2CCCC3(CCC3)C2)N1 2159226569 GIBREOUXZFMAEW-UONOGXRCSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCNc1ccc2cnn(C)c2c1 2159972292 BSRUTMLHAXGPJL-UHFFFAOYSA-N 273.424 4.736 30 10 CJEE CN(c1ccc(C#N)cc1Cl)C1CC(C)(C)C(C)(C)C1 2160483072 CJOPRNIZQSHFDP-UHFFFAOYSA-N 290.838 4.863 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CCO[C@H](C)C1 2161603581 JVLBKFIOJZDOAK-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)C3CC4(CCC4)C3)C[C@@H](C1)C2 2161780331 OGKCDGRNOAMODJ-SXVFUXMRSA-N 273.464 4.680 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CCC2(CCC2)C1 2161966509 SUMXOKCJYKEHHW-MRXNPFEDSA-N 295.536 4.911 30 10 CJEE N#CCCN(CC1CCCC1)C[C@H]1CCC=CCCC1 2163715209 DEDIUOQWTCUPGX-KRWDZBQOSA-N 274.452 4.529 30 10 CJEE O=C(C1=CCCCCCC1)c1cc2ccccc2cn1 2163965409 FWAZMRRAYZWNLZ-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE CCCC[C@](C#N)(CC)CCOc1ccc(OC)cc1 2164474266 ATHXTCJWRCCTBT-QGZVFWFLSA-N 275.392 4.574 30 10 CJEE CCCCCCCCCC[C@H]1CCOCC[C@H]1NCC 2165414456 BPVVEYDPTHGVRX-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CC[C@H]1CCN1 2165684911 WIQMDKQQLUOYQM-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2166051502 SWIXBIULSULTAY-HGTKMLMNSA-N 282.374 4.597 30 10 CJEE C=C(CN[C@@H]1C[C@H]2CCCCCC[C@H]21)c1ccccc1 2166181248 BLFQKIPREHSQKX-GUDVDZBRSA-N 269.432 4.648 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1ccc2ccccc2c1 2168330824 ZOBXSOSYXMFVHT-QGZVFWFLSA-N 267.416 4.573 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@](C)(O)CC2CCCCC2)C1 2168538164 CXJUFRDZPQYIAG-ZWKOTPCHSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCC[C@H]([C@@](C)(O)C2(C#N)CCCCCCC2)C1 2168626853 IWGYUBMXDSGSOL-IXDOHACOSA-N 277.452 4.818 30 10 CJEE CCC#CCC1(CNCC(C)C)CCC(C(C)C)CC1 2174098605 SAOTUMJLHLVUSV-UHFFFAOYSA-N 277.496 4.868 30 10 CJEE CCCCCCCCCc1cc(CCNCCC)on1 2176136640 LJMPSYWERXDLIZ-UHFFFAOYSA-N 280.456 4.510 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1[C@@H]2CCO[C@@H]21 2176341219 CGXACRHMSBAOKM-XSLAGTTESA-N 282.468 4.693 30 10 CJEE N#Cc1cc(F)c(N[C@]23CCCC[C@@H]2CCC3)cc1Cl 2177382981 HPHFITIDDJGPNY-WBMJQRKESA-N 292.785 4.876 30 10 CJEE C=CC[C@H]1CCCCN1c1cccc(Cl)c1[C@@H](C)NC 2178456427 JROUKCSPVVKUBC-KGLIPLIRSA-N 292.854 4.555 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C)c2ccccc2n1 2179677376 AGYWCBUSWPDTBU-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCC1CC(N(C)C[C@@H](C#N)C2CCCCC2)C1 2180044330 SVDRRPBOVUEECE-IIIMJFFVSA-N 276.468 4.607 30 10 CJEE C=C1CC(C[C@H](CSc2cccc(C)c2)NCCC)C1 2182157492 GWOIPNNFXYKRFL-QGZVFWFLSA-N 289.488 4.812 30 10 CJEE CCCCCCCC[C@H](O)c1cccc2c1CCOC2 2182293574 QVQMNPQCOMCJPR-SFHVURJKSA-N 276.420 4.543 30 10 CJEE C#C[C@H]1CC[C@@H](NC2CCC3(CCCCCC3)CC2)C1 2185762720 UXVPCGDWCAAVPS-FUHWJXTLSA-N 273.464 4.661 30 10 CJEE C=C(C)CN(c1ccc(CNCCC)cc1Cl)C(C)C 2186474481 XRCHASNDFAIJNE-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE N#Cc1ccc(Cl)nc1N[C@H]1CCC2(CCCCC2)C1 2192711321 UCCDRSMVFUCPEC-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE CCCCCCCN(C)[C@H]1CCCCCC[C@@H]1NCC 2196726925 GITAJTRWCPNULK-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN(C)c1nc(C2CC2)c(C=O)s1 2196726959 GRVKHXWXEVURPY-UHFFFAOYSA-N 294.464 4.630 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ccccc1F 2197141809 JAXCSAQFPJYASP-SFHVURJKSA-N 269.363 4.580 30 10 CJEE C=C(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 2197145035 BRSYSMPXSNXRMG-KGLIPLIRSA-N 282.305 4.638 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1cscc1OC 2203836105 YJOAZZYEPRJSAO-MRXNPFEDSA-N 293.476 4.771 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C(C)C)ccc1OC 2203869553 BWYFLYFJVKFAJN-QGZVFWFLSA-N 275.436 4.826 30 10 CJEE C=CCCCCCC[C@H](NCC)c1ccc(COC)o1 2206887294 XMZLOOLWBLNBCX-INIZCTEOSA-N 279.424 4.603 30 10 CJEE C=CCCCCCC[C@H](NN)c1cccc(C2CC2)c1 2206891019 IRUXIJKXGGTULO-SFHVURJKSA-N 272.436 4.595 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1OCCC1(C)C)NCC 2206897548 BXDDUMKDMQKASE-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)[C@H]1CC1(C)C 2207376650 FZKMFLJWRUPVOE-MAUKXSAKSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CC[C@H](OCC)C1 2207429680 LSVDKNWUGSYXJA-BZSNNMDCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCCNCc1cc(CC)no1 2207430425 UWHQYLMAIQOABS-UHFFFAOYSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1CCCOC1 2207435407 HHWNBXGUNMEAOY-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@H](N)c1csc2cncn12 2207436964 OGEZXNZCCYJKLR-AWEZNQCLSA-N 291.464 4.702 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1ccc(C)cc1C 2207443958 FNVPNYYETNQSMI-QGZVFWFLSA-N 276.420 4.598 30 10 CJEE C=CCCCCCCCCCN[C@@H]1COC2(CCC2)C1 2207449373 QCTRBNHTNRUTSH-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)[C@H]1CCC(C)(C)C1 2207458849 DQLDTAKFIOGLJN-YESZJQIVSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCCCF)NCCC 2207460124 YVWBCNMWHOXUPA-SJORKVTESA-N 289.479 4.606 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1SCC[C@H]1C 2214614808 DTNGZRYTVCPTBZ-HIFRSBDPSA-N 254.439 4.614 30 10 CJEE N#CC1(CC2C[C@H]3CCC[C@H](C2)C3)CCSCC1 2218385224 KSRJTUNSEBOVHO-KBPBESRZSA-N 263.450 4.630 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@@H]1CC(C)C 2220088477 LVOQIDHRFKHYTG-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CCC1(Nc2cc(C)c(Cl)cc2N)CCCC1 2221302139 VSPCVMMBZZRGGI-UHFFFAOYSA-N 264.800 4.531 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(Cl)cnc1OC 2224676310 AIVRNGWDJICXIL-GFCCVEGCSA-N 284.831 4.905 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(C)c1OC 2224984073 LXUKNJAEOMVGPB-KRWDZBQOSA-N 263.425 4.538 30 10 CJEE C=CC1(C[C@@H](NC)[C@H]2C[C@H]3CCC[C@H](C3)C2)CCC1 2225312363 CBUPJWBJXQCQHB-YYIAUSFCSA-N 261.453 4.537 30 10 CJEE C[C@@H]1C[C@@](C=O)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)CCS1 2225362518 XRNLBEUPHXCKOO-NQNKBUKLSA-N 280.477 4.694 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCCCC1CC1 2227196270 ILQUKPUXCXFEHY-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1CCCC1(F)F 2227268721 RYLMKDWMHUZZPL-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCCNc1ccc2c(c1)CCO2 2227270054 CFRDMOHTMTVISK-UHFFFAOYSA-N 259.393 4.560 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)CCC(F)(F)C1 2227270614 GBAKJGRJZPBYDU-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE CC#CCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227509412 RZLWGVBDILDBHL-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE CN(CCCCCCCCCS)C[C@@H](F)C1CCC1 2228179600 CCTJYGYCLQISJK-MRXNPFEDSA-N 289.504 4.717 30 10 CJEE CCCC[C@H](C)CC[C@H](N)C#Cc1cccc(Cl)c1 2230991913 HOTXRHPIXGOLNV-YOEHRIQHSA-N 277.839 4.625 30 10 CJEE CCCCCCCCCO[C@H](CC)[C@@H](C)NCCC 2230991982 ZCMJWKVLRZLZBZ-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCO[C@H]1CCC(=O)[C@@H]1CC 2231029668 BQBNDUZKKOASSW-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CN[C@@H](C)C1 2231075359 BKWGYEHPAMYGDT-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](C)NCC1CC(OCC)C1 2231941640 RPKNFFFKRAZFMU-KLAILNCOSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](CO)c1ccsc1 2231947184 WHBWILNLLHSCES-ZBFHGGJFSA-N 283.481 4.510 30 10 CJEE CN(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C[C@H](CS)C(C)(C)C 2233543423 MTVKQMUEVIAGQK-YYIAUSFCSA-N 297.552 4.727 30 10 CJEE CC1(C)COCC[C@@]1(C#N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233711428 UJANSKAPVKFOGC-LHHMISFZSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H](C)COC)NCCC 2235524880 VEUGBKIMUWUBAS-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC(=O)C[C@@H](CN)C1CCCC1 2235533149 RKGJWFMMAVZDDE-KRWDZBQOSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2235534717 JENWBBPDCUOWHI-ARFHVFGLSA-N 285.422 4.736 30 10 CJEE C=CCCCCCCCN1CCn2cccc2[C@H]1CC 2235538278 HLGNHPRQBYYNIU-QGZVFWFLSA-N 274.452 4.781 30 10 CJEE CC1(C)CC(C)(C[C@@]2(C=O)CCc3ccccc3C2)C1 2236533457 ZOULAOCHXBVROQ-LJQANCHMSA-N 270.416 4.577 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)c1cc(C)sc1C 2236588332 GCAQXDWOJLGJEF-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE CCCCCCCCC[C@H](N)c1nccc(C(C)C)n1 2237573791 RQRCGQLDGGSMMR-HNNXBMFYSA-N 277.456 4.741 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cc(F)cc(Cl)c1 2237999908 ZTXGEWYCBCRCKF-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCOCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 2238127906 JIKFPWXDVQCMBV-BZUAXINKSA-N 297.508 4.891 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)C1(C)CC2(CC(F)(F)C2)C1 2238795102 RZQJUIHINDJXQA-ZIAGYGMSSA-N 285.422 4.782 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC12CC(F)(F)C2 2238908622 LYIAEAFSGANULJ-AWEZNQCLSA-N 295.398 4.955 30 10 CJEE C=C[C@H](CC)O[C@@H]1CCCCCCCC[C@H]1NCCC 2239480774 FPOKZIDYPGQCRV-KZNAEPCWSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCCCCOC(=O)[C@H](N)CCC 2239486262 DWFPUHSJZLCPNK-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE CCCCCCCCCCO[C@]1(C(=O)O)CCC[C@H]1C 2239504497 UGIWVJWGOFJEKU-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(CNC(C)(C)C)cs1 2239505213 QMGLFYYVBSKYDV-CQSZACIVSA-N 296.480 4.545 30 10 CJEE C[C@H]1CC[C@@](C)(C(=O)C#Cc2ccc(Cl)cc2)C1(C)C 2239557786 YXIYPBCMKVAIIJ-UGSOOPFHSA-N 288.818 4.723 30 10 CJEE CC(C)c1ccc([C@@H](N)C#Cc2cccc(Cl)c2)cc1 2239565132 WJQAUWGWYHSEHI-SFHVURJKSA-N 283.802 4.515 30 10 CJEE C=CCCCCCCCSCCCCNCC 2250019731 WMPITBPGFITGLY-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE C=CCCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 2255411299 ZEKRYWMGBAJQHA-ZDUSSCGKSA-N 289.202 4.782 30 10 CJEE C=CCCSc1ccc(CNCC(C)C)cc1Cl 2258979144 RROXCTJQWRJYMS-UHFFFAOYSA-N 283.868 4.754 30 10 CJEE C=C(C)CCCCOc1ccc([C@H](C)O)cc1Cl 2259191996 ZUNCBABWWYRBDI-LBPRGKRZSA-N 268.784 4.519 30 10 CJEE C=C(C)CCCC[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 2259193052 AMIJCTUNOAKUIE-HLLBOEOZSA-N 252.442 4.946 30 10 CJEE C=CC1(C[C@H](C[C@@H]2CCCCC23CC3)NC)CCC1 2264888454 ZRWREMHXQYWIFR-HOTGVXAUSA-N 261.453 4.681 30 10 CJEE C#CCCCC[C@H](C[C@@H]1CCCC12CC2)NCCC 2266598278 VMQCCUSIFBBXPI-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C=C1CC([C@H](CC[C@H]2CCCC23CC3)NCCC)C1 2266647267 NBHNJCZCGXHFFN-SJORKVTESA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1ccc(C)cc1F 2266738501 CJJIICSXQMAIDR-QGZVFWFLSA-N 266.400 4.788 30 10 CJEE C=CCC[C@@H](Cc1ccc(CCC)cc1)NCCC 2268247969 JJAUFPASWGHUPI-SFHVURJKSA-N 259.437 4.516 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1csc(Cl)c1OC 2268924443 UPKPIPZGDNLJAX-GFCCVEGCSA-N 299.867 4.500 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCCC[C@@H]1C(F)(F)F 2271840585 DDKCHZARGBGJLA-KBPBESRZSA-N 277.374 4.691 30 10 CJEE C#CC1(NCCCCCCCCCC=C)CC(C)C1 2272598526 SUSUXWQOVKLSLE-UHFFFAOYSA-N 261.453 4.685 30 10 CJEE C=C[C@H](C)CCN[C@@H]1CCCC[C@@H]1C1CCCCC1 2273029683 BCVBWQINXRRMLJ-CGTJXYLNSA-N 263.469 4.927 30 10 CJEE CC(C)C[C@H]1CCC[C@](N)(C#CC2CCCCC2)C1 2273987231 BKMJNRKRIZRPNE-MSOLQXFVSA-N 261.453 4.504 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@@H](O)C#CC1CCCCC1 2274074112 RCMIWKSMXJJIDJ-INIZCTEOSA-N 297.225 4.919 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(O)CC#CC2CCCC2)C1 2274165172 SBXJPVUELSWZNL-FUHWJXTLSA-N 262.437 4.538 30 10 CJEE CCC1CCC([C@](C)(N)CC#CC2CCCC2)CC1 2274166114 GJYBUGQTIFGCRY-VMWRSERWSA-N 261.453 4.504 30 10 CJEE C=CCCCCCCCCCC(C)(C)OCC(=O)O 2275253028 GAHHEDVWSRKMQG-UHFFFAOYSA-N 270.413 4.563 30 10 CJEE C=C(Cl)C[C@@](C)(CCCCCCC)OCCC(=O)O 2275321818 OZLFUOGSDKISRF-OAHLLOKOSA-N 290.831 4.740 30 10 CJEE C=CCCCCCC[C@@](CC)(CCC)OCCCN 2276145267 NFZWYLZHDXCKSU-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@H](C)[C@@H]1C 2276652940 FLYCYCOOAFETNV-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1csc(C)c1 2276980723 AFJAOIZLUATYRI-INIZCTEOSA-N 281.465 4.600 30 10 CJEE CCCCCCCC[C@H](CCC(C)(C)C)OCCN 2277137885 LDROJJTWCPYPJM-MRXNPFEDSA-N 271.489 4.907 30 10 CJEE CN(CCCCCCCS)C[C@@H]1C[C@H]1C1CCCC1 2277507494 PBGGVIJLCQDWTJ-IRXDYDNUSA-N 283.525 4.625 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CC2=CCCCC2)C1 2281209732 UQLAAJOLBXRALH-NJAFHUGGSA-N 274.452 4.527 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CCC(C(C)(C)C)CC1 2284098899 MLRDMGNLVNPQDH-UHFFFAOYSA-N 275.480 4.916 30 10 CJEE C=C(C)CCCC[C@](C)(O)CCc1ccc(OC)cc1 2287401180 MPPHXRQHAZLBOQ-SFHVURJKSA-N 276.420 4.515 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(COC)c1 2287415192 TXQCHEHEKZYMNU-SFHVURJKSA-N 275.436 4.620 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1CC2(CC(C)C2)C1 2287838953 FDFSNSSNEDAAPI-YKPIGIGISA-N 275.480 4.765 30 10 CJEE C=C[C@H](C)CCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 2288904556 HEFYQRBVXJXCTK-QFHJOOASSA-N 271.448 4.761 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(-c2ccccc2)cc1 2288905053 NUIKFMOGRFNBKQ-MRXNPFEDSA-N 265.400 4.655 30 10 CJEE CCCCC1CCC([C@@H](N)C#CC2CCCCC2)CC1 2289786183 MNFKKBODIQHZIW-ACBHZAAOSA-N 275.480 4.894 30 10 CJEE Nc1cc(C(F)(F)F)ccc1SCC#CC1CCCC1 2289899486 QKDLIHTUCALDQD-UHFFFAOYSA-N 299.361 4.573 30 10 CJEE CCCCCCCC[C@](CC)(OCC(=O)O)C1CCC1 2290606127 RYKNZAAWCVVBDU-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=C(C)C[C@@]1(OCCC(=O)O)CCC[C@@H](CCC)CC1 2291148899 PQOXSWATHZRUSY-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)c1csc(C)c1 2291765360 DWSWREXHCJVSNQ-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE C=CCCC[C@](C)(OCCN)C1CCC(CCC)CC1 2292774705 VIKSCILXEZEOSE-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(CC1CC(C)(C)C1)OCCN 2293105404 KXLGQJOYTLPCBO-SFHVURJKSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CC[C@@H]1CC(C)C 2293684950 XNOMRMVHFTXADN-QZTJIDSGSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)C[C@@H](C)[C@@H]1C 2293995847 ZGGSOPDTLPBRTR-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC[C@@H]1CCC 2294018691 PXTGRJJNBBGDDQ-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC(F)(F)CO1 2295691715 OWIVELNGTSYDLV-GJZGRUSLSA-N 291.426 4.529 30 10 CJEE C=C(C)C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2302215105 IKPZVMRDZJUUNK-LBPRGKRZSA-N 276.182 4.749 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc(Cl)cc1Cl 2302845641 JVOGYTHUGDPXEE-OCCSQVGLSA-N 270.203 4.610 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSC[C@@H]1CC12CCC2 2307228609 ZZUQPEFZRKZQFT-JSGCOSHPSA-N 272.523 4.892 30 10 CJEE CC(C)=CCC[C@H](C)OC[C@@H](CS)CC(C)C 2308058470 WCMNZOOKZGJXET-GJZGRUSLSA-N 258.471 4.730 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@@H]2C[C@@H]2C1 2311207919 CJNLLQJAPBWCEP-ZACQAIPSSA-N 251.458 4.857 30 10 CJEE CC(=CCOC[C@@H](CS)C(C)C)CCCC(C)C 2316548192 WDKAIYLBKFFDDH-INIZCTEOSA-N 272.498 4.978 30 10 CJEE C=CCC(CC=C)C(=O)Cc1cc(Cl)ccc1Cl 2316736209 JIUOQNKYWPXFQS-UHFFFAOYSA-N 283.198 4.873 30 10 CJEE CCCCCCCC(=O)O[C@@H]1C=CCC(C)(C)C1 2317896907 YQPGRZKKCSIWMM-CQSZACIVSA-N 252.398 4.635 30 10 CJEE C=C([C@H](CCCCC1CC1)NCCC)[Si](C)(C)C 2318886507 WXPJWNKUGBMIDH-INIZCTEOSA-N 267.533 4.759 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320102659 FLQBZWJCRDIEGY-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C#N)CCC(F)(F)C1 2320321486 ZUUHJAWYMLZFHC-SCRDCRAPSA-N 255.352 4.778 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)c(F)c1 2321103207 XOESBFHXRCSLSM-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cccc(Cl)c1 2321143385 AMRVTYGGOBQQHB-HOTGVXAUSA-N 265.828 4.983 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cc(F)ccc1Cl 2321177744 SZPPCNWSFIQGFI-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCC2(CCC2)[C@H]1NCCC 2335096774 QIZOXWBADFDSNF-XHSDSOJGSA-N 281.509 4.775 30 10 CJEE C=CCCCCCCCCC[S@](=N)(=O)CC(F)(F)F 2335114174 PGVWDZKIHMDZFN-IBGZPJMESA-N 299.402 4.902 30 10 CJEE C=CC[C@H](C)Sc1c(F)cc([C@@H](C)NCC)cc1F 2335243934 CBBLWXMMBKFWPE-WDEREUQCSA-N 285.403 4.692 30 10 CJEE SC[C@H](COc1cccc(C2CCC2)c1)CC1CC1 2336354530 KQCRORIKUXFCJJ-AWEZNQCLSA-N 276.445 4.679 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC1CCC2(CCCC2)CC1 2337111612 NQRQVQKXBHAWJC-DOTOQJQBSA-N 261.453 4.824 30 10 CJEE CC=CC[C@@](C)(CCCCCCC)OCCC(=O)O 2338485946 HLAMRZNKRLJLNB-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C)CC[C@@H]1CNC1CC1 2338724890 LUISTVGNUKNNTK-LESCRADOSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@]1(N)CC[C@@H](C)c2ccccc21 2338727558 MAJJKLWFRZPVCV-KDOFPFPSSA-N 255.405 4.506 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCC[C@H](C)CC1 2338730632 SCPWWYCCMMURDJ-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 2338738582 NOBDARPHYQSDLB-QWHCGFSZSA-N 274.326 4.693 30 10 CJEE CCc1cc(F)cc(Nc2ccc(C#N)c(Cl)c2)c1 2344334482 LPQJAEBNQKBZNB-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cccc(Cl)c1C(F)(F)F 2344354866 CYIGVUBBJJNGIS-GFCCVEGCSA-N 291.744 4.961 30 10 CJEE CC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@](C)(CS)C(C)(C)C 2352320450 XSWDSXUVRBKFOO-IVSAIRAKSA-N 283.525 4.622 30 10 CJEE CSc1cc(N[C@@H]2CC(C)(C)C2(C)C)ccc1C#N 2353825031 PHCLVDOCOQLISV-CQSZACIVSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1[C@@H]2CCCO[C@@H]21 2355555538 ZXNYYZALZJBSQB-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCO[C@@H]1C)NCC 2355653154 LGBDIEOHXKNGLA-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CCC[C@@H]1C[C@@H]1C 2356072425 NVUDUJRQKGXVCE-BSDSXHPESA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]1CO2)NC 2359079784 PBPDGZSWRDPPNV-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE C=CC[C@@H](C)Sc1cccc(OC)c1[C@@H](C)NCCC 2360371363 LOCYIGPHDHMQRH-ZIAGYGMSSA-N 293.476 4.813 30 10 CJEE C=CCC(CC=C)Sc1cccnc1CN[C@@H](C)CC 2360376133 RCFNJKFIVQAQJU-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CC(C)(C)C1 36954405 KFAZCHWMUWGZTC-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE Cc1cccc([C@H](C)Nc2cc(Cl)ccc2C#N)c1 37277874 KXOJFGUOALYRSJ-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1csc2ccccc12 54464684 DXOVOEFRUHUBJD-OAHLLOKOSA-N 264.353 4.578 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N1CCC2(CCCCC2)CC1 61819922 QIAIONSSMVDFFZ-IRXDYDNUSA-N 274.452 4.505 30 10 CJEE CC(C)CCn1nc(C#N)cc1-c1ccc(C(C)C)cc1 76843623 ISZRVHSFQCQXFR-UHFFFAOYSA-N 281.403 4.591 30 10 CJEE C=CCCCSc1ccc([C@@H](C)NCCC)cc1 79582166 MZYDXGZVSUNOTP-CQSZACIVSA-N 263.450 4.806 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1ccc(C#N)cc1Cl 80150201 BFOYVYYNDWLXFN-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE Cc1ccc(OCC(C)(C)CS)c(C(C)(C)C)c1 94583445 YJVDYCBMATXPOJ-UHFFFAOYSA-N 266.450 4.627 30 10 CJEE Cc1ccc(Cl)cc1OC[C@@H](CS)C(C)(C)C 94585982 OJZCJBKMKDLWQS-NSHDSACASA-N 272.841 4.619 30 10 CJEE C#C[C@H](C)Cc1cc(Cl)cc(C(C)C)c1OCC 107633016 GCABVECKKBNOOQ-LBPRGKRZSA-N 264.796 4.674 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1c(C)cc(OCC)cc1C 107646247 DWIPHILUIYGLJO-XJKSGUPXSA-N 258.405 4.855 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 109808012 CFBLRLZLCRTHIH-JTQLQIEISA-N 282.309 4.568 30 10 CJEE CCCCCCCCOC[C@@H](CCC)NCCC 110083998 WHNNPZQZVCJLHO-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCC(C=O)(CC)CN(C1CCCCC1)C1CCCCC1 110118274 XNTMSHSSJOPMCU-UHFFFAOYSA-N 293.495 4.959 30 10 CJEE C=C(Cl)CNc1ccccc1Oc1ccccc1 110154531 CEQHBYKCEIPYGY-UHFFFAOYSA-N 259.736 4.643 30 10 CJEE Cc1ccc(C#N)c(Oc2ccc3ccccc3c2)c1 110261133 YZHXVJVQIJPNOX-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CCCCCCC[C@H](C)N(C)Cc1ccc(C(=O)O)cc1 115589266 LJSHWMQAHRNDPQ-HNNXBMFYSA-N 291.435 4.566 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc2c(c1)COC2 115857252 JAXZWOAJEAKWMS-SFHVURJKSA-N 275.436 4.857 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1cc2sccc2s1 123590793 DTWJNRDSZCVJHG-LBPRGKRZSA-N 297.404 4.761 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCCc2cccnc21 130232807 ULWAWSNCONYKEV-DLBZAZTESA-N 275.436 4.613 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](CC)CCCC 130335854 RXQFIMWVFKDGNQ-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](OCC)C(C)(C)C 131536190 BKVVKVXUSDAJGY-HOTGVXAUSA-N 271.489 4.906 30 10 CJEE CCCCCCC[C@@H](N)c1cscc1Br 132258469 UAHSBIXBJVJLAL-GFCCVEGCSA-N 290.270 4.871 30 10 CJEE CCCCCCCCCCC[C@H](CCCOC)NC 134159530 YHKGDMAKRJSRDZ-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE Cc1cc([C@H](C)N[C@H](C)c2ccc(C#N)s2)c(C)s1 134708439 NMBHNICMBMYZPR-WDEREUQCSA-N 290.457 4.710 30 10 CJEE C=CC[C@H](C)NCc1ccc(F)c(-c2cccs2)c1 134747461 QHNFFACYBYFAPP-LBPRGKRZSA-N 275.392 4.608 30 10 CJEE CCSc1cccc(N[C@@H](C)Cc2ccccc2)c1C#N 136662137 UYSVKRYGPIABRH-AWEZNQCLSA-N 296.439 4.713 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(F)c1Br 155738477 NEVXPAGZEBZKOR-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE C[C@@H]1CCC[C@@H](C)C1Nc1ccc(C(F)(F)F)cc1C#N 158332741 ZCZULEZMZBTFID-GHMZBOCLSA-N 296.336 4.814 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1cccc(C(F)(F)F)c1 158969110 ZRLYGJJNPCTTOG-INIZCTEOSA-N 299.380 4.686 30 10 CJEE CCCCCCCn1cc(CCN)c2ccc(Cl)cc21 168598552 QKIVABJPKFOCOJ-UHFFFAOYSA-N 292.854 4.766 30 10 CJEE C/C(=N\O)c1cccc(OCc2csc3ccccc23)c1 215578968 GMDZSEAXJQUSLM-LDADJPATSA-N 297.379 4.679 30 10 CJEE CC(C)c1ccc(C2(C#N)CCC2)cc1Br 218757501 BTUUXJFEGAOODE-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)C 219635961 DYHYJSCLLMRMMO-ZACQAIPSSA-N 251.458 4.639 30 10 CJEE CCCCCCCCCC(=O)[C@H](OCC)C(C)C 227412525 QYIMXOVNHKVZGP-MRXNPFEDSA-N 256.430 4.757 30 10 CJEE C=CCC[C@@H](C)Nc1ccccc1SC(F)F 228817291 WZUMAKWVZUWTGU-SNVBAGLBSA-N 257.349 4.768 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(Br)cc1C#N 229173140 OHFYXBMEVFPTAL-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1C[C@H]1c1ccccc1 253055913 YVQONSUOEVZECQ-KSZLIROESA-N 259.437 4.868 30 10 CJEE C[C@H](CC#N)c1csc2cccc(Br)c12 260170146 WTVKDUVOFUJADB-MRVPVSSYSA-N 280.190 4.681 30 10 CJEE CC1(C)CCC[C@H](c2cccc(C3(C#N)CC3)c2)C1 260577839 JUFXXMIGIHODLG-HNNXBMFYSA-N 253.389 4.926 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@H]2CCCC(F)(F)C2)CC1 306024358 QNZZACYGPPTDBV-NWDGAFQWSA-N 256.336 4.518 30 10 CJEE C=C([C@H](C[C@@H](C)CC(C)(C)C)NCCC)C(F)(F)F 311497409 KVHKLUSCDAKXDX-YPMHNXCESA-N 279.390 4.936 30 10 CJEE C#C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)C(C)C 312153086 BJCVOAWUYVKPDV-MOPGFXCFSA-N 269.432 4.555 30 10 CJEE CCC(=O)c1ccccc1Oc1cc(Cl)cc(C#N)c1 312791262 HHCFMXGMFUTGCC-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CCCC(F)(F)C1 316958274 IQNDMMXZOMHQSR-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CCC[C@@H](C)C1 317911835 ISSQMLMEHOTKHE-WBVHZDCISA-N 251.458 4.927 30 10 CJEE CC(C)CC[C@](O)(C1CC1)C1(C#N)CCC(C)(C)CC1 383530962 AYFJUSYVRDQDJN-SFHVURJKSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H](CNC(C)C)CC1CCC(C)(C)CC1 387293802 ZVIARZQMKZVNKK-MRXNPFEDSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@H](N)c1coc(Br)c1 393573307 MHCDRGKQDNAYSR-GFCCVEGCSA-N 288.229 4.793 30 10 CJEE Cc1ccc([C@H](C#N)Nc2cccc(Cl)c2)c(Cl)c1 404752094 MOWBPXNILDDOLL-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C[C@@](C#N)(c1ccccc1)c1ccccc1C(F)(F)F 405609005 MHAGHUSTWQCKHR-OAHLLOKOSA-N 275.273 4.535 30 10 CJEE C[C@](C#N)(Cc1cc(Cl)ccc1F)c1ccccc1 405719187 TXUHMGLOEGUVTE-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE CCCCCCCCC[C@@H]1[C@@H](NCCC)CO[C@@H]1C 405738624 OGPJGAUQOVWJQO-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 437764690 MNOXEYBTZOYORM-MELADBBJSA-N 277.374 4.832 30 10 CJEE CC[C@@](O)(C(C)C)C1(C#N)CC(C)(C)CC(C)(C)C1 688317054 XHYCZWOIXFVPRV-QGZVFWFLSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCCNCc1csc(C(=O)O)c1 689114303 FWYOMIHURVDAFA-UHFFFAOYSA-N 297.464 4.677 30 10 CJEE Cc1cc(N[C@@H]2CCCCC[C@H]2C#N)cc(C)c1Cl 690285232 AWOVQFXSRYFSFX-DZGCQCFKSA-N 276.811 4.841 30 10 CJEE CCCCCCCC[C@@H](CC[C@H]1CC1(F)F)NC 691643544 OXOBBVWITIPDCM-KBPBESRZSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@]1(CNCCC)CCOC1(C)C 693314702 VYRPDDCSFVBPHU-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CSc1cccc(N(C)[C@@H]2CCC[C@@H](C)CC2)c1C#N 697461014 CBQLCFVCMQBXAG-ZIAGYGMSSA-N 288.460 4.685 30 10 CJEE C=CC(C)(C)CCNc1cc(Cl)c([N+](=O)[O-])cc1C 701875838 DICZYBXQJNRWBZ-UHFFFAOYSA-N 282.771 4.571 30 10 CJEE N#Cc1c(Cl)cccc1NCCc1cccc(Cl)c1 702856792 GAFBJOJXEYETOV-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE CCCCCCCN[C@@H]1CCc2sc(Cl)cc21 703749356 WOOHCJYTEBDIHG-GFCCVEGCSA-N 271.857 4.949 30 10 CJEE CCCCCCCNc1ncnc(Cl)c1C(C)C 703781377 XDOPKQAWMNRGAG-UHFFFAOYSA-N 269.820 4.636 30 10 CJEE 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C=CCCCCCCC[C@@H](NC)C(CC)(CC)OC 2227275806 ZYAZSUBZYVSVBT-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@H](NN)C1CCC(C)CC1 2227282228 AKHTUOOJIPCGLD-JCYILVPMSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C[C@@H]2CC[C@@H]2C1 2227284444 RFWBZZKECZRXQS-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(CC)CCCC1 2227288493 PCNTYEDZTYPGJZ-MRXNPFEDSA-N 266.473 4.705 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](O)(CC)CCCC 2227290689 JHQLRAPOZCWXCX-SJORKVTESA-N 269.473 4.562 30 10 CJEE N#C[C@@H](C(=O)CC1CCCC1)c1cccc(Cl)c1Cl 2227502695 YVZZJONKTADIKK-GFCCVEGCSA-N 296.197 4.750 30 10 CJEE CC[C@@H]1C[C@@H]1CC[C@]1(C#N)CCc2ccccc2C1 2228258075 DRDVCFQFXLCFDJ-UWWQBHOKSA-N 253.389 4.512 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC1(C)CC2(CCC2)C1 2228346328 KDYIWAURHTZFME-IYBDPMFKSA-N 259.437 4.530 30 10 CJEE N#Cc1ccc(Nc2ccc3c(c2)SCC3)cc1Cl 2230657415 BYFYIZWECOWXGU-UHFFFAOYSA-N 286.787 4.603 30 10 CJEE N#CCCCCC[S@](=O)CCCCCCCC1CC1 2230894148 XTGFHFWWYJPCLO-LJQANCHMSA-N 283.481 4.570 30 10 CJEE CCCCCCCCCOc1c(CO)sc(C)c1C 2230982450 HRMJVHJJESKYKC-UHFFFAOYSA-N 284.465 4.987 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H](NC)C1 2231077862 CUKNFYQFSCNFJL-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC1(C)COCC[C@@]1(C#N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233722339 UJANSKAPVKFOGC-LHHMISFZSA-N 275.436 4.549 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(OC)cc1C 2235520165 WWESJCQBOFKPOJ-GOSISDBHSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCC[C@]1(CNCC(C)C)CCCO1 2235525007 WRNHECKKLNRMPY-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2235525138 YASHTTAONRJNTC-ZBRFXRBCSA-N 281.484 4.551 30 10 CJEE C=CCCCCCCC[C@H](N)Cc1cc(F)ccc1F 2235526394 KKEPRCCNPBSOMI-INIZCTEOSA-N 281.390 4.751 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)C1(C)CCCCC1 2235526773 OJXSJRFDRZGBNU-QGZVFWFLSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CCOC(C)(C)C1 2235526983 QNAXXLMRNTWWDW-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCCC2(CC2)C1 2235533534 BGHRWNAAKHDROX-SJORKVTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1Cc2ccccc2S1 2235542119 OVCGNGOXCNNAAT-WMZOPIPTSA-N 290.472 4.981 30 10 CJEE CN(c1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2238155034 GMISQIKDCXTTQA-NVXWUHKLSA-N 270.420 4.599 30 10 CJEE CCCCCCCOCc1cnsc1CN[C@@H](C)CC 2238509032 OAFLQEOBNQVLRA-AWEZNQCLSA-N 298.496 4.518 30 10 CJEE CC(C)(C)C#CCCNCc1ccccc1C(C)(C)C 2238718855 ADWDKGSWTQZGPE-UHFFFAOYSA-N 271.448 4.513 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC(F)(F)C1 2238898701 NABGEVIWQNMKMR-WCVJEAGWSA-N 284.390 4.988 30 10 CJEE CCCCCCCCCOC[C@@H](N)C12CCC(CC1)C2 2239447438 BIFAJMHOZHQGNA-LXPRWKDFSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCCOc1ncccc1[C@H](C)O 2239480043 BCAYQFWENRZUSG-HNNXBMFYSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCO[C@H](c1ccco1)[C@H](N)CC 2239488000 WBBJMAMGSUVIAS-WBVHZDCISA-N 281.440 4.825 30 10 CJEE C=C[C@H](CC)O[C@@H]1CCCCCCCCCC[C@@H]1NC 2239502307 SUGCBHBNBDCXMU-FGTMMUONSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCCOC(=O)CCC[C@H](N)CC 2239502737 TTZCOYUHEJODAD-MRXNPFEDSA-N 285.472 4.578 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](N)c1ccc(Cl)c(F)c1 2239504698 ZPAMMDFDSFDLDP-BBRMVZONSA-N 299.817 4.630 30 10 CJEE CCCCCCCCCO[C@@](C(=O)O)(C(C)C)C1CC1 2239512915 JAHADZDMVFKBEY-KRWDZBQOSA-N 284.440 4.643 30 10 CJEE CCCN[C@H](CC#Cc1ccc(CCC)cc1)CCC 2239734836 LTKFLJCFGSROFI-IBGZPJMESA-N 271.448 4.549 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)CC(F)(F)c1ccccc1 2240140386 JCSWZFKWTKUYPH-GDBMZVCRSA-N 281.390 4.749 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccccc1CCC 2240167613 NVJAIKHWBHGZCC-LPHOPBHVSA-N 273.464 4.762 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H](C)[C@H]1CC 2240576149 YECJHVGJDIOSFP-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC1CCCC1)NC 2240642383 LSKAEMUSHLYAJU-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE C=CC=CCC[C@H](NC)[C@](C)(O)CCCCCCCC 2240642936 RSTXGPBGKKRZEC-ZWKOTPCHSA-N 281.484 4.598 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc3occc3c2)CC1 2241186591 ZEPCTASVQBDIKZ-QGZVFWFLSA-N 269.388 4.830 30 10 CJEE CCCCCCCCNc1cnccc1Br 2246267512 SLZIXCSWERZQAG-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE C=C(C)C[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2247239637 ZBCZHPREOGWKRH-OAHLLOKOSA-N 296.252 4.799 30 10 CJEE Cc1cc(Br)ccc1CC=CC#CC(C)(C)C 2248456420 QLLXGIXSSTYFOW-UHFFFAOYSA-N 291.232 4.906 30 10 CJEE C=CCCCS[C@H](c1sccc1C)[C@@H](N)CC 2250030014 RGAKRCDYHWMRLS-JSGCOSHPSA-N 269.479 4.534 30 10 CJEE CCC[C@H](CC)[C@@H](C#N)Nc1ccc(Br)cc1 2250366529 LUOJYPSSAZZOSE-SMDDNHRTSA-N 295.224 4.579 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc2sccc2s1 2252873176 CKBVPRULSRDZCP-WDEREUQCSA-N 265.447 4.826 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C)CCS1 2252952039 AWKNWDQQMNEJQB-CABCVRRESA-N 257.487 4.958 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@@H](N)CCS1 2252952100 BMQIDHHBSFBCCO-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1sccc1CC 2255971871 JDXDFKJQPFJVEW-HUUCEWRRSA-N 263.450 4.535 30 10 CJEE CC1CCC(C=O)(CCCCC[C@H]2C[C@@H]2C)CC1 2257293617 RBIQGOIOWIZPLW-YZUHTNEWSA-N 250.426 4.988 30 10 CJEE C=C[C@@H](C)C[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2257487422 MPBLSEHUHBMEOG-PELKAZGASA-N 278.701 4.604 30 10 CJEE Cc1cc(-c2cccc(F)c2C#N)c(C)cc1Cl 2257645402 MODAYYLAXBFQRU-UHFFFAOYSA-N 259.711 4.635 30 10 CJEE C=C(C)CCCCN[C@H]1CCC[C@H](C(C)C)CC1 2259234239 ZIKFLMOJWNQCPU-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE CC1CC2(C1)CC(C[C@]1(C#N)CCS[C@@H](C)C1)C2 2259578559 SXYFLPIFCXRNKN-QNZGPFAYSA-N 263.450 4.628 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CF 2260437198 LZNBZUSZCAALBQ-HRCADAONSA-N 257.437 4.853 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)CC1CCCCCC1 2268747399 IZTLAACXBCTFIN-QGZVFWFLSA-N 261.453 4.670 30 10 CJEE O=CC1(C[C@H]2CCC[C@H]2C(F)F)CCC2(CC1)CC2 2270047116 XYUXKJJTUQKPGH-CHWSQXEVSA-N 270.363 4.597 30 10 CJEE C=C(C)CCCC[C@@H](Cc1ccccc1)NCCC 2271836421 GLARLVZTNPPYOZ-SFHVURJKSA-N 259.437 4.734 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]1C(F)(F)F 2271838183 CSOMQWATZTUCSH-MCIONIFRSA-N 277.374 4.690 30 10 CJEE N#CCCCCCNc1cccc(C2CCCC2)c1 2273606885 VJLBTCDPDBAHLC-UHFFFAOYSA-N 256.393 4.840 30 10 CJEE CCN[C@@H](CCC#CC1CCCC1)CC1CCCC1 2274127360 CBMCLHKJCLFMFQ-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C=CCCCS[C@@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2274478961 FRUSLLNUYGPCNJ-HUUCEWRRSA-N 283.525 4.879 30 10 CJEE C#Cc1ccc(N[C@H]2CC(C)(C)CCC2(C)C)cc1 2274491034 KFZALEXCYRYKKV-INIZCTEOSA-N 255.405 4.685 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)[C@@H](C)CC 2276635959 FSFRXBFBRYSSNZ-DLBZAZTESA-N 271.489 4.907 30 10 CJEE C=C[C@H](CC)OCCCCCCCCCCC(=O)O 2278775113 RIJJPXREYMXNGV-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1(C)CC(C(F)(F)F)C1 2279381754 KIBYWSHFWSGQDL-FGZQJIAISA-N 289.385 4.690 30 10 CJEE N#Cc1cccc(F)c1N[C@@H]1CCCC2(CCCC2)C1 2280476223 LEFFSXNYOVWQMD-CQSZACIVSA-N 272.367 4.612 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@H]1CCCCC12CCC2 2284091896 JSPVXZCIVORMTR-SJORKVTESA-N 274.448 4.704 30 10 CJEE CC1CCC([C@H](C)N(C)CC=CC#CC(C)(C)C)CC1 2284180627 VTUJHLHUGZZEOB-ADKAHSJRSA-N 275.480 4.739 30 10 CJEE C=C(C)CCCCOc1ccc(C)cc1[C@H](C)NCC 2287409860 ZYCGCNNMVVVLMG-INIZCTEOSA-N 275.436 4.791 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)C1CC(C)(C)C(C)(C)C1 2287677019 PRGWABLLLKWRGI-SFHVURJKSA-N 281.484 4.528 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cc(C)cnn1 2288593401 LTALRSPAPHBKGD-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCN[C@](C#N)(CSC1CC(C)(C)C1)C[C@H](C)CC 2288948640 DCEMCMWIAOUEAS-RHSMWYFYSA-N 296.524 4.606 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1cccc(C)c1 2289702444 DQDYIPVMEWMDBP-IBGZPJMESA-N 269.432 4.619 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H]1CCCC[C@@H]1C 2291783924 DXBUYUOQGPCFOG-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE C=CC1(C[C@](C)(CCCCCC)OCC(=O)O)CCC1 2292055548 MQBCYDYIXSTPRH-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@](C)(CC1(CCC)CCC1)OCCC(=O)O 2292405156 XATMHBSNBRCTPX-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCC#CC[C@@H](OCCCN)C(CC)(CC)CC 2292585662 KXVHJLDLXHAVJK-QGZVFWFLSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@H](OCC(=O)O)[C@H](C)CCC 2292589292 RMJFLSPOPYPZEM-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)C1[C@H](C)[C@H]1C 2292645564 FZOQPMCHPQOACN-ZACQAIPSSA-N 281.484 4.539 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CCS[C@@H]1C 2292795657 HYDUFQXIRVSPHT-SJORKVTESA-N 299.524 4.533 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H]1CC=CCC1 2293412270 AIGIMAUXNQEKME-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@](CC)(OCCN)[C@H]1C[C@@H]1C 2293498428 IFEHOGBNKQQXAB-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1C[C@H]2CC[C@H]1C2 2293684136 UBNOHHQKKUDJAS-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE C=CCCC[C@]1(OCCCN)C[C@H](C)CC[C@H]1C(C)C 2293897440 BPCBRABDANOTBS-SQNIBIBYSA-N 281.484 4.539 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1sccc1CC 2294016975 BDYAZKISVPFGQV-MRXNPFEDSA-N 295.492 4.854 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1CC[C@H](C)C1 2294017770 HYCHLERCJBEZDU-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C[C@H](NCc1c(C)c(C)c(C)c(C)c1C)C1CCC1 2294675537 PPBMLAJELQDTTH-IBGZPJMESA-N 271.448 4.673 30 10 CJEE Cc1c(C)c(C)c(CC2=CC(=O)CCCC2)c(C)c1C 2294724606 GSDDKRIPTNWYRD-UHFFFAOYSA-N 270.416 4.841 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CC(C)C)C(=O)O 2295531336 KGBDHCMEHWAGOG-CVEARBPZSA-N 285.472 4.605 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](C)N1C 2295674715 USBJVHXNKUIRRF-BZSNNMDCSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CO)CC(C)(C)C 2295677125 RNSZZRRXUCSKBL-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1C[C@H](O)C1(C)C 2295678994 LNOKGVBIFYFPMB-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(Br)c(C)c1 2301062928 NSGJQINBEQAORT-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE Cc1c(CC2=CC(=O)CCC2)ccc(Cl)c1Cl 2301115007 KTPKFDWRJODHEG-UHFFFAOYSA-N 269.171 4.524 30 10 CJEE C=C[C@](N)(CC)CCCc1cc(Cl)cc(Cl)c1 2302387469 KZDHRCMIJBVWSD-AWEZNQCLSA-N 272.219 4.610 30 10 CJEE C=C(C)C[C@H](NCCC)c1c(C)sc(C)c1C 2302871601 MNQOHRXDZJLNGH-AWEZNQCLSA-N 251.439 4.680 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1C[C@@H]1CF 2310940092 QOALCNLHYXSWJW-ARFHVFGLSA-N 258.421 4.874 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CC[C@H]1C2 2312915444 LCULQJZXXVGRFQ-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)SC[C@@H](NC)c1cc(C)cc(Cl)c1 2313649296 WUZWHBBKMWWCDP-SWLSCSKDSA-N 283.868 4.607 30 10 CJEE C=C(C)CCCC[C@H](O)c1c(F)ccc(C)c1Cl 2313861740 HGAOVYRHVPUMDR-ZDUSSCGKSA-N 270.775 4.957 30 10 CJEE C=CCC[C@@H](C)NCCCc1cc(Cl)cc(Cl)c1 2318637736 UEZIDLJCKWEYJX-GFCCVEGCSA-N 286.246 4.870 30 10 CJEE C=CCCCC[C@H](CCC[C@H]1C[C@H]1C)NCCC 2318927862 LLKVXMMRKIFTQO-IXDOHACOSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1CCCC(C)(C)C1)NCCC 2319297782 UAILCHJNLIFTRX-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(C2CC2)s1 2321116165 ILKQSBAYOOMWRA-JKSUJKDBSA-N 263.450 4.878 30 10 CJEE CCCCCCC[C@](C)(S[C@@H](C)C(C)C)C(=O)O 2326832968 DUMRGKRDWNTELK-ZFWWWQNUSA-N 274.470 4.968 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1OC 2331740037 ATDSOMJULTWFEZ-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@@H](NCCC)CC(C)(C)C1(C)C 2335195418 WVYZVBROBURXJI-SOUVJXGZSA-N 283.525 4.877 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cc(C)ccc1C 2335199900 HEZUZZPEGCGWNX-QGZVFWFLSA-N 275.461 4.557 30 10 CJEE CCCCC#CC[C@@H](NC)c1c(F)ccc(C)c1Cl 2335581029 MRETZGACXUUPRC-CQSZACIVSA-N 281.802 4.632 30 10 CJEE C[C@H](CC(C)(C)C#N)OC[C@H]1C[C@H]2CCC[C@H]1CC2 2338916801 YGGUFLZLNARDTE-FXUDXRNXSA-N 263.425 4.548 30 10 CJEE CCCCCCCCN1CCCC[C@H]1C(C)(C)OC 2339493407 YPZRJVQHTKDPHV-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C#Cc1ccc(CNc2ccc(Cl)c(C)c2Cl)cc1 2340157914 PUNKVAYFJSALQD-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE CC#CCCCC[C@H](CCC[C@H]1C[C@@H]1C)NCCC 2341481462 GOCJLSBRCMVQGI-OKZBNKHCSA-N 263.469 4.765 30 10 CJEE C=C(C)CC(=O)c1ccc(Oc2ccccc2)cc1 2341893674 NYUURSLUOJYCDB-UHFFFAOYSA-N 252.313 4.628 30 10 CJEE CCC(CC)(CS)CN(C)C[C@@H]1CC[C@@H]1C(C)(C)C 2343170616 XLDRNPJDQITROE-GJZGRUSLSA-N 285.541 4.727 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1CCCCC1(F)F)NCCC 2344339923 NCXFBOIOQHAQEQ-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc2cccc(Cl)c2o1 2344369762 UHJGSAKIVQMYNG-HNNXBMFYSA-N 277.795 4.949 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cccc2c1CCC2 2352103760 JKQCKLBZIYSQLC-KRWDZBQOSA-N 278.461 4.536 30 10 CJEE C=C1CC(C#N)(CC2CCC(CC(F)(F)F)CC2)C1 2353156515 SFEKEOCOGXRCBQ-UHFFFAOYSA-N 271.326 4.995 30 10 CJEE CSc1cc(Sc2cc(F)ccc2F)ccc1C#N 2353843055 NDZXXFYSMUAZME-UHFFFAOYSA-N 293.363 4.710 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)OCCN 2360097465 QXMIKFYAPZJFDF-KSZLIROESA-N 283.500 4.907 30 10 CJEE C[C@](C#N)(Nc1cccc(Cl)c1)C1CCCCC1 37937396 DPFPFVDNZZDMGH-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CC[C@H](Nc1cccc(Cl)c1C#N)c1ccccc1 52904968 CXNDRKGQVJDGGJ-HNNXBMFYSA-N 270.763 4.775 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2cccc(F)c2)cc1C 57688913 QDFACQRXTVYFQV-KRWDZBQOSA-N 297.373 4.827 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2ccc([N+](=O)[O-])cc2)cc1 57743996 GOBKTNWCZPYXTQ-KRWDZBQOSA-N 294.354 4.568 30 10 CJEE Cc1ccc(C)c(Sc2cc(C#N)c3ccccc3n2)c1 68796767 ZUMXARZZOXLLSN-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE N#Cc1cc(-c2cccc(C(F)(F)F)c2)cc2cc[nH]c12 76189651 KUOWUTHMKXXVRF-UHFFFAOYSA-N 286.256 4.725 30 10 CJEE CC[C@H](C)Oc1cccc(-c2cc(CC#N)c(C)s2)c1 77094548 AANUCNCANHVJOI-LBPRGKRZSA-N 285.412 4.967 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(CC2CC2)C2CC2)C1 80369185 POWAONCYGHKXHZ-XYJFISCASA-N 288.479 4.605 30 10 CJEE Cc1ccc(C#N)cc1Nc1nc2ccc(Cl)cc2s1 93429448 HJXRRKCUKPTVTN-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE Cc1cc(C)cc(CS[C@H]2CCCC[C@H]2C#N)c1 94718391 LGOXYJZUWKZWMZ-HOTGVXAUSA-N 259.418 4.619 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)cc(F)c2C)cc1F 94837255 CCJPWZYIJUILFE-GFCCVEGCSA-N 286.325 4.626 30 10 CJEE C#CC[C@@H](CCC)c1cc(Cl)c(OC)c(Cl)c1 107536874 LOXKJCJTNPLDAM-JTQLQIEISA-N 271.187 4.909 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)N[C@@H](C)C1 111784604 ZDSKCSCUUWBFRD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 112012447 OPIAEVOKHNEDDP-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCOc1ccccc1C(=O)O 112958960 LXRMKRFJCWLAIX-UHFFFAOYSA-N 278.392 4.904 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ccc(N)nc1 115859205 MNYFMQUNYRUNSN-UHFFFAOYSA-N 291.439 4.523 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1ccccn1 117692522 VKNZLEIRDUCSQW-SFHVURJKSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(OC)c1 123850035 YNNZULJKVYPQQI-OAHLLOKOSA-N 298.858 4.604 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@H](CC)OC 124616473 OHKJUQZGJZEHEH-SJORKVTESA-N 271.489 4.920 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cc(F)cc(F)c1 127795418 MSSUSZMNEOVDMF-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC[C@](O)(c1ccccc1F)C1(C#N)CCCCCCC1 128823245 BLOJLPDMSNFBAB-SFHVURJKSA-N 289.394 4.678 30 10 CJEE CC(C)(C#N)CCCn1ccc2ccc(Cl)cc21 128913139 MAWSWBWJNJQFPS-UHFFFAOYSA-N 260.768 4.625 30 10 CJEE CCCCCCCCCCNc1nccn2nc(C)cc12 129589270 DJNZVIXCJMBCDW-UHFFFAOYSA-N 288.439 4.590 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCCN(C)C1 134342599 JGWPCKHEFHKLKW-GOSISDBHSA-N 283.500 4.754 30 10 CJEE c1ccc(NC(=NC2CCCCC2)Nc2ccccc2)cc1 135874116 NXLPALXEOMYJKZ-UHFFFAOYSA-N 293.414 4.899 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 156069968 MDEMFKHVVBDJFH-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)(C)C 156207304 RGXAPTLLDUAJAT-OAGGEKHMSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@@H](O)c1cncc(OCC)c1 157048543 BDRWIAXUDCYFBK-QGZVFWFLSA-N 279.424 4.654 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CCCCO1)NC 159119646 DTRLOFKLCUMJPN-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2OC)C1 217534102 ZMAYFULUOBVHFN-KEYYUXOJSA-N 289.444 4.896 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@H]1O 250794187 AAVNEFCJRNUPPV-GVDBMIGSSA-N 270.457 4.549 30 10 CJEE CCC[C@H](CS)CN(C)[C@H](C)c1cccc(Cl)c1 251131579 JTPPQVYMIBTUNG-OLZOCXBDSA-N 285.884 4.679 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2C[C@@H](C)C[C@H](C)C2)C1 252436886 RZXOMIUUZVYLFR-QXDIGNSFSA-N 290.495 4.709 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 252699800 WIKHGZCEZQMSQQ-PJXYFTJBSA-N 297.320 4.781 30 10 CJEE Cc1ccc([N+](=O)[O-])cc1N=Cc1ccc(C(C)C)cc1 254738746 JYWOFCHJIMGMNM-UHFFFAOYSA-N 282.343 4.777 30 10 CJEE Cc1cc2cc(CC(C)(C)C#N)ccc2n1C(C)C 260339985 OASNGCWTGZPXIC-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE CC1(C)[C@H]2C[C@@H](Sc3ccccc3)[C@@](C)(S)C[C@H]21 299814399 GEINJCZBPBJHJU-NHIYQJMISA-N 278.486 4.902 30 10 CJEE CCCCCCCCNc1nc(Cl)nc2c1SCC2 305955408 AUBGPEXAJJEMEL-UHFFFAOYSA-N 299.871 4.551 30 10 CJEE CCCCCCCCCC[C@@H]1COC(C)(C)[C@@H]1NC 311834134 MDXAZFJDLDPUOH-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(OCC)cc1 312386623 FPABUYLAQHBDNZ-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE CCSc1cccc(Nc2cccc(C)c2F)c1C#N 312455915 RZMIIWDPNWXVTR-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(C(F)F)ccc21 312646248 STSXUMWCZNOOCD-UHFFFAOYSA-N 296.386 4.865 30 10 CJEE CC(C)[C@@H](Nc1cccc(CC#N)c1)c1ccccc1 313435208 JIOQSBOSUHOYFD-GOSISDBHSA-N 264.372 4.562 30 10 CJEE Cc1ccc(C)c(CC2(C=O)CCC(C(C)C)CC2)c1 317290320 VJFZFAICJITNMJ-UHFFFAOYSA-N 272.432 4.877 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CC1 317950280 YZBKMEGDCKVOEU-JYJNAYRXSA-N 278.436 4.510 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)[C@H]1C[C@@H]1C 321948615 WKFIOZGOPGYPAP-MELADBBJSA-N 261.434 4.811 30 10 CJEE C=CCCCCCCNCc1sccc1Cl 380718809 OFJXXEUCTBKQJQ-UHFFFAOYSA-N 257.830 4.628 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)Cc1ccc(Cl)cc1 383608285 QZQDCJQFIPOLQS-QGZVFWFLSA-N 291.866 4.690 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@]2(O)CCCCC23CCCC3)C1 383933848 VYZDEZXTWXGKIL-KBAYOESNSA-N 275.436 4.572 30 10 CJEE C=CCSc1ccccc1NCCC1CCCC1 394599762 ZRXHLLBVXGZWMB-UHFFFAOYSA-N 261.434 4.957 30 10 CJEE Cc1cc(Cl)ccc1NC[C@@H](C#N)C1CCCCC1 397097227 BOLJSLDKBZTRPX-CQSZACIVSA-N 276.811 4.780 30 10 CJEE CC(C)[C@H](C#N)CNc1c(Cl)cccc1C(F)(F)F 397520707 VFAODXUJARWBSS-SECBINFHSA-N 290.716 4.566 30 10 CJEE CCCCCCCCCCNC(C)(C)CCOC 398039869 XASORABSHLCJSW-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](CC)CC[C@H]1NCCC 403820815 ALAWCSGIANZBRQ-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CC)CC(F)(F)F 451453187 FUOWDHCAILKVHG-LBPRGKRZSA-N 299.336 4.722 30 10 CJEE Cc1cccc(CC2(C#N)CC(C)(C)CC(C)(C)C2)n1 688317555 ZHYIXVQXBWSMIU-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(C2CC2)cc1 690277210 PZXDSLMROVVJTD-UHFFFAOYSA-N 268.747 4.833 30 10 CJEE Cc1cc(NC[C@@H](C#N)C2CCCC2)cc(C)c1Cl 690301662 OTQHWPZFIJOKAC-CQSZACIVSA-N 276.811 4.699 30 10 CJEE CCCCCCCCC[C@@H](N)CC[C@H]1CC1(F)F 691643883 PYSUGVMJTGWCGL-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(C)c(C(F)(F)F)c1 693451949 BSGRXKSEUZTBKA-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE CCCCCCC[C@@H](N)c1csc(C(C)C)n1 695423719 OQIAZEDRMRGRLK-GFCCVEGCSA-N 254.443 4.627 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCCC[C@@H]1C1CC1 695967829 NMGDFFIDGOZYPS-CZUORRHYSA-N 274.795 4.614 30 10 CJEE CCCCCCCC[C@H](O)c1cc(N)cc(Cl)c1 697001285 XUMQKIFKTCHETB-HNNXBMFYSA-N 269.816 4.706 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@@H](COC)C[C@H]1NC 698762081 VTMKAZDDWPCPOC-KZNAEPCWSA-N 283.500 4.778 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1C[C@H]1C1CC1 699124318 VWQAUOCMVJRYTA-ULQDDVLXSA-N 251.458 4.761 30 10 CJEE CCC[C@@H]1CCCCN(c2cccc(SC)c2C#N)C1 703216274 BWSPTMVZALMWPF-CQSZACIVSA-N 288.460 4.687 30 10 CJEE C[C@H](N(C)c1ccc(C#N)cc1Cl)[C@@]12CCCC[C@@H]1C2 709260908 FQTQUOBYMHTXFR-QEORTHHSSA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@H](NC)C1CC(C)(C)CC(C)(C)C1 710650219 MDFZGVATNOGYDB-ZDUSSCGKSA-N 257.849 4.570 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CC(C)(C)CC[C@@H]2C)C1 713116367 DMGIWGBYSHGJML-CIRFHOKZSA-N 277.452 4.674 30 10 CJEE CCCCCCCN[C@@H]1CCC[C@H]2CCCC[C@H]21 714305270 SJUZJJQCWUQUGO-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCC[C@H]2CCCC[C@H]21 714316800 UDACAOIONZBDGY-BRWVUGGUSA-N 276.468 4.655 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CC[C@@H](CC)C1 715794708 CEANTQRLWODZMF-BBWFWOEESA-N 251.458 4.641 30 10 CJEE Cc1cc(C)c(CNc2cc(Cl)ccc2C#N)s1 719447294 LLJDFDPVOVMGMX-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 720884915 RYOWJAWAGUNHND-WHRQZHCMSA-N 275.436 4.834 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ccoc2CC)CC1 724605560 NCUMOKOMVYNNQG-MRXNPFEDSA-N 261.409 4.629 30 10 CJEE O=C(/C=C/c1ccccc1)c1ccc(-c2ccncc2)cc1 745989863 DGVIIKUWALRRPU-IZZDOVSWSA-N 285.346 4.645 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2c(C)noc2C(C)C)c1 934886246 GRHPYNQZDZVSRI-UHFFFAOYSA-N 299.374 4.784 30 10 CJEE O=C1/C(=C\c2c(Cl)cccc2Cl)Nc2ccccc21 1088708690 VGKAZKUDIMJFHG-RIYZIHGNSA-N 290.149 4.643 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)c1ccccc1 1127383571 FRGRWEKQJGJDBQ-QZTJIDSGSA-N 287.447 4.882 30 10 CJEE CC#CCCSc1nc2ccccc2n1-c1ccccc1 1164526121 MZKXEZZJSLFPDF-UHFFFAOYSA-N 292.407 4.531 30 10 CJEE C=C(C)[C@@H](NCCCC(C)C)c1ccc(F)c(F)c1 1169474661 VGDDGHXDLWPSGL-MRXNPFEDSA-N 267.363 4.608 30 10 CJEE C#C[C@H](Nc1nc2cc(C)ccc2s1)c1ccc(F)cc1 1186541922 WNGPFMIPTNMLQB-AWEZNQCLSA-N 296.370 4.530 30 10 CJEE C#Cc1cccc(CN[C@@H]2CCC[C@@H](C(C)(C)C)CC2)c1 1202813836 WPQFSQOJIHHAAE-RTBURBONSA-N 283.459 4.753 30 10 CJEE C=CCCCCN[C@H](C)CCc1ccc(Cl)s1 1205471452 MWSOWFZMTQPKKN-GFCCVEGCSA-N 271.857 4.669 30 10 CJEE C#Cc1ccc(CN(C(C)C)[C@@H](C)c2ccccc2)cc1 1206084698 MAIQGHQRFYSSAT-KRWDZBQOSA-N 277.411 4.640 30 10 CJEE C=CCCC(C)(C)CNCCc1ccc(F)cc1Cl 1207083736 RWFVCAAJMFMMOT-UHFFFAOYSA-N 283.818 4.604 30 10 CJEE C=CCC[C@H](CC)NCC(CC)(CC)C(F)(F)F 1207210331 WSQXWZFCUNLXJI-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@H](C)C(CC)CC)c1 1264935149 HBPRMBLUCBQDEF-CQSZACIVSA-N 289.419 4.652 30 10 CJEE C#CCN(Cc1ccc2ccccc2c1)C1CCCCC1 1307444662 HHOSJBIDMKRTHU-UHFFFAOYSA-N 277.411 4.608 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 1308818390 GRKHJPFMWAQBOJ-QZWWFDLISA-N 251.458 4.926 30 10 CJEE C=CCC1(CNC(=O)NCC(CC)(CC)CC)CCCC1 1312266581 LOKSYZSLARSLRD-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1350358363 AMWOKYFGNJLLKH-UHFFFAOYSA-N 291.394 4.799 30 10 CJEE C=C(C)CCC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1358209610 FPKJLDACOBNCBJ-GOSISDBHSA-N 285.431 4.660 30 10 CJEE C=C[C@H](OC(=O)/C=C(\C)c1ccc(F)cc1)c1ccccc1 1437635757 BXUFYLXGTDPKMB-JKGDOXCYSA-N 296.341 4.700 30 10 CJEE C#CCCCCCCNc1cccc(-c2ncco2)c1C 1462283206 KVGVQKKTRLSQEB-UHFFFAOYSA-N 282.387 4.646 30 10 CJEE C=CC[C@@H]1CCCN(CCCCCOc2ccccc2)C1 1462413971 LXAGWVAOOLMKMV-GOSISDBHSA-N 287.447 4.524 30 10 CJEE CC#CCCCC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1462952685 UTZIZGHDLXFJEG-AWEZNQCLSA-N 283.415 4.604 30 10 CJEE C=CCc1cccc(F)c1OC(=O)O[C@H](C)CC(C)C 1463913545 VBTRIXWXJCSOBE-GFCCVEGCSA-N 280.339 4.504 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cccc(Cl)c1F 1465004406 TXOCCBPJUKYLBJ-UHFFFAOYSA-N 298.789 4.593 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCCCC[C@H]1C 1470383621 WQFGDVWTBIIUEI-QGZVFWFLSA-N 294.483 4.877 30 10 CJEE C=C(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2F)c1 1472897775 RHRVBYJWIUEOGB-UHFFFAOYSA-N 272.279 4.511 30 10 CJEE C=CC(C)(C)CCCNCc1cc(C)ccc1OC(F)F 1474256680 SZBVAJXFJWPXIY-UHFFFAOYSA-N 297.389 4.678 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1cccc([C@H](C)CC)c1 1476888621 AAUXNSDKPCYATL-RHSMWYFYSA-N 286.419 4.773 30 10 CJEE C=CC1(CC(=O)OCc2cc(C)ccc2F)CCCCC1 1526097172 DEIHSVCCAJOHPS-UHFFFAOYSA-N 290.378 4.704 30 10 CJEE C=CCCC(=O)O[C@H]1CCC[C@H]1Cc1cccc(Cl)c1 1529759415 VIQZCEMPUFWIDL-HOCLYGCPSA-N 292.806 4.561 30 10 CJEE C#CCN(Cc1ccccc1)C(=O)[C@H](CC)CCCCCC 1587025249 FPXUZWVFUNRRNM-LJQANCHMSA-N 299.458 4.645 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CJEE CCCCCCC[C@H](O)[C@@H](CCC(C)(C)C)NCCC 2147318846 BKALJCUBMQBJRL-SJORKVTESA-N 285.516 4.902 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@H](O)CCCCCCCCC 2147889933 RLYKUVFIJKWBEW-RCCFBDPRSA-N 283.500 4.678 30 10 CJEE C(#CC1CCCCC1)CNC[C@]12CCCC[C@H]1CCC2 2149864935 PDGCIBQACRRYKB-RBUKOAKNSA-N 273.464 4.520 30 10 CJEE C[C@@H]1CCC[C@H](N=C2N[C@]3(CCCC3(C)C)CS2)CC1 2150545709 OZAUVTUMOIEFBT-JKIFEVAISA-N 294.508 4.597 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H]1CCCOc2c(C)cccc21 2152865973 RKFDNBLNRRSBHI-NVXWUHKLSA-N 273.420 4.543 30 10 CJEE N#C[C@]1(N2CCCCCC2)CCCCCCCC1(F)F 2152999043 DIJSDOOIFYPJNX-OAHLLOKOSA-N 284.394 4.504 30 10 CJEE N#Cc1ccc(CNC2CCCCCCCCC2)cc1 2153455895 JOHUUHQQEVTDCC-UHFFFAOYSA-N 270.420 4.541 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)C1(c2ccccc2)CCCC1 2158326408 CPVROJPAIAEMLK-AEFFLSMTSA-N 271.448 4.689 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](O)c1cc(C)cs1 2158609627 VIFBQCPEAAQPSO-WBVHZDCISA-N 297.508 4.819 30 10 CJEE Cc1cccc(C#N)c1NCc1cc(C(F)(F)F)cs1 2161217253 IBQGTLMGNRQOHC-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCOC(C)(C)C1 2161600349 NJJSBSYMBONZCS-SFHVURJKSA-N 283.500 4.920 30 10 CJEE C=CCOc1ccccc1[C@H](N)C[C@@H](C)CC(C)(C)C 2164040990 FQWMEMZULFTURZ-GDBMZVCRSA-N 275.436 4.714 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C(C)C)[nH]n1 2164263341 KTDLEBPGWKKBDE-OAHLLOKOSA-N 279.472 4.934 30 10 CJEE CCCCCCCCCC[C@H](N)c1cn(CC)c(C)n1 2164494543 WIAYPSAMJOGZGF-INIZCTEOSA-N 279.472 4.742 30 10 CJEE CC(C)(C)c1ccc([C@H](O)[C@]2(C#N)CCC23CCC3)s1 2166796555 DGLKSDQHRCUTBC-WMLDXEAASA-N 289.444 4.553 30 10 CJEE CCCC1CCC(N(C)[C@@H]2CCCCC[C@H]2C#N)CC1 2168437100 VMYXVCCLVOKMJW-JYSRZZCRSA-N 276.468 4.750 30 10 CJEE CCCCCC1CCC([C@H](CC#CC2CC2)NC)CC1 2168703960 KEZVCDHFDXNGNH-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)C2(C)CC(C)(C)C2)CC1 2169176073 GSGIMIVYLCVKPN-CSLYMUCUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCOCC1CCC(NC)CC1 2171109889 VXHLJCRCBVUXJW-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C#CCCCC[C@H](NCC(C)C)[C@@H](C)c1ccccc1 2173496047 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CCCCCCCCCc1ncc(CCNC(C)C)s1 2187989626 PVLOGXOWDHPYIO-UHFFFAOYSA-N 296.524 4.977 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1csc(C2CC2)n1 2188863963 SSGPTJNSGSTVPY-OAHLLOKOSA-N 290.476 4.645 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)C1(CC2CCC2)CC1 2189961647 CMYHGZDHLKAZCD-KRWDZBQOSA-N 291.555 4.596 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C2CC(c3ccccc3)C2)C1 2191384588 DCKQXPLSCZOGNM-RXQRSOPUSA-N 270.416 4.966 30 10 CJEE CCCC1CCC(CN=C2N[C@@H](CC)C[C@H](C)S2)CC1 2192877180 OQUXTUQBQWBZEC-LBDPXKHJSA-N 296.524 4.843 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(C(C)(F)F)on1 2192900137 SNVMDJCQQDHFEZ-LBPRGKRZSA-N 286.366 4.573 30 10 CJEE C=C(CN(C)C[C@@H]1CCC[C@H]1C(C)C)c1ccccc1 2195514146 MAMRQSWYILRQLS-OALUTQOASA-N 271.448 4.704 30 10 CJEE CC#CCCCCN(C)C1CC2(CCC(C)(C)CC2)C1 2196210211 UPUGRGJLCDLHIQ-UHFFFAOYSA-N 275.480 4.861 30 10 CJEE C=CCCCCCC(=O)[C@@](O)(CC)c1cccc(Cl)c1 2196596722 AZOQQKZVSORGMR-QGZVFWFLSA-N 294.822 4.643 30 10 CJEE CCCCCCCCN(C)C[C@H](C#N)C1CCCCC1 2196691393 UNAWJDXMLSBFJN-SFHVURJKSA-N 278.484 4.999 30 10 CJEE CCCCCCCN(C)CCC(CC)(CC)CNCC 2196693586 COLBCTIWXWGGME-UHFFFAOYSA-N 284.532 4.695 30 10 CJEE CCCCCCCCN(C)C[C@@H](O)CC1CCCCC1 2196740689 GHCVCZPYHNIETH-SFHVURJKSA-N 283.500 4.610 30 10 CJEE CCC[C@H]1C[C@@H]1CN(C)c1cccc(SCC)c1C#N 2200267887 SDGVDBSEFVIIGW-UONOGXRCSA-N 288.460 4.543 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCCC12CC2 2203789074 ANWZYEOAYAOIPF-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)C1CCCC1 2204045014 UPOZNRQJPFYXBT-KXBFYZLASA-N 269.432 4.653 30 10 CJEE C=CCCCCCC[C@H](NCC)c1ncoc1CCC 2206891770 MQJBCDAFPOZTSV-HNNXBMFYSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCCC[C@H](O)c1coc(C(F)F)n1 2207402319 BGORTDXIZOPCKC-ZDUSSCGKSA-N 287.350 4.952 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H](N)CC1CCCC1 2207427495 NFAFEMZCHOXJRN-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@](C)(N)C[C@@H]1CCOC1 2207431592 GWBLCWUFOUMMOR-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](NN)C1[C@H]2CCCC[C@H]12 2207432021 LIUXJISTVTVKLW-ULQDDVLXSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(C)CCC[C@H]1N 2207434443 CSMPTAZFWGSKPB-AEFFLSMTSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@H](C[C@@H]1C[C@@H]1CC)NN 2207435207 GNUSZUIHFMELTD-OKZBNKHCSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCCN[C@@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 2207436864 NZHFBUNZGITVJC-LTFXXXRZSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCC[C@@]1(CNCC)CO[C@H](C)C1 2207442398 QPTKCAPHTFECSA-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@H](CN)N(C)[C@@H]1CCC(C)(C)C1 2207444357 IWDKJIULKGUBFF-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H](O)[C@]1(CN)CCCC(C)(C)C1 2207454987 ZSEKJUFDAIECLK-SJLPKXTDSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@H](C)C1(C)CCC1 2207459068 VFVMUQCZKASVAX-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H](NC1CCCCCC1)C(=O)O 2207466727 CMAJNXOHFCQRMT-MRXNPFEDSA-N 283.456 4.503 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 2220760981 JNWIJNNBIMKPHE-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE N#Cc1ccc(N)cc1Sc1ccc(Cl)cc1Cl 2221797698 DWSNQBZDIVWXCN-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@@H](CC)CC(F)F 2223590886 ANVUTLCOYCRBDD-MCIONIFRSA-N 261.400 4.638 30 10 CJEE C=C1CC(C[C@@H](NCC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225320281 YIKIEENXAOMQAS-MXSMSXNCSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@]1(F)CCC[C@@H]2CNCC[C@@H]21 2225410915 VOUARCVLUCJBIR-IKGGRYGDSA-N 269.448 4.855 30 10 CJEE CC1(C)CC(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)C1 2225687459 HFXNRQYKSYVAEZ-GFCCVEGCSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCCCOC(F)(F)CNCCC 2225688302 LUBWUBSESXYEQN-UHFFFAOYSA-N 277.399 4.512 30 10 CJEE C=CCCCCCCCN(C)CC1[C@@H]2CCCC[C@@H]12 2227283120 XWAACGJCMCPWQD-IAGOWNOFSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCCC(=O)C[C@H]1OCCC1(C)C 2227283314 DOZJYZRZCAKXMU-MRXNPFEDSA-N 266.425 4.677 30 10 CJEE C=CC[C@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)NCCC 2230651027 DAELTZRTBQGOIS-BRSBDYLESA-N 263.469 4.927 30 10 CJEE Cc1cc(C#N)cc(SCCCCCCC2CC2)n1 2230877268 BGPWACHZMUHVPP-UHFFFAOYSA-N 274.433 4.714 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@H](O)[C@H]1C 2231033781 QDGHACOBBFFCIE-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(C)c(F)c1F 2231244298 ZLFRUECYBIHXJE-CQSZACIVSA-N 267.363 4.670 30 10 CJEE CCCCCCCC[C@H](C)NCc1cccnc1C 2231929551 QAMWDRULZOOJQQ-HNNXBMFYSA-N 262.441 4.619 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CO[C@@H](C(C)C)C1 2231930354 VLVLNGWBCMVTEF-YESZJQIVSA-N 269.473 4.529 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@H](C)CO1 2231946174 NLFZRATWZWCFFA-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1NCCC 2234044925 WCXBPCSPOIZMGX-FGTMMUONSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnn(C)c1C(C)C 2234823878 QIYNPNMKYBWDKC-MRXNPFEDSA-N 279.472 4.555 30 10 CJEE C=CCCCCCCC[C@H](CC1(COC)CC1)NCC 2235540154 UHAZXZBOQSQIOS-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(CC#CC2CCCCC2)C1 2238149762 HFOVDXILSUFJTE-MJGOQNOKSA-N 275.480 4.894 30 10 CJEE CCN[C@@](C)(C#N)C[C@H](C)SCCCCCCC1CC1 2239366345 XAVYNRGXPLQJFK-DOTOQJQBSA-N 296.524 4.750 30 10 CJEE CCCCCCCCCCOCc1[nH]c(=N)ccc1Cl 2239486938 LGANCKZVBIRRDY-UHFFFAOYSA-N 298.858 4.805 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC(CC)(CC)CC[C@@H]1N 2239492346 JFGPMXRDROBIOI-IXDOHACOSA-N 281.484 4.824 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CC)(C(=O)O)c1cccs1 2239505477 REIJZZOYUFTZGD-CZUORRHYSA-N 296.432 4.590 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@H](C)CNC1CC1 2239509006 ALEFBOAFJVHSFT-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCN(CCC)c1c(Cl)cccc1CN[C@@H](C)CC 2240073104 QXABYBGHDMGCFR-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@H]1CC(C)C 2240572328 HVLWXOFQAQYURM-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)CC12CCC(CC1)OC2 2240617062 ZJOMQRVNOIVEKF-ADKAHSJRSA-N 282.468 4.837 30 10 CJEE CC1(C)CC(Sc2cc(Br)ccc2C#N)C1 2245163402 VOUIBYUPCNHCFZ-UHFFFAOYSA-N 296.233 4.601 30 10 CJEE C=CC[C@H](C)[C@H](N)c1cc(Br)cc(C(C)C)c1 2247236987 IVIUKBNOYIQTKZ-NHYWBVRUSA-N 296.252 4.785 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ncc(Cl)s1 2250137170 XIWHKHIYDYSSDB-NSHDSACASA-N 272.845 4.584 30 10 CJEE C=C(C)CCCCOc1c(Cl)cc(N)cc1Cl 2250148056 UPVMFSOPOBRQBL-UHFFFAOYSA-N 274.191 4.701 30 10 CJEE C=CCCCCCC[C@H](O)C[C@@H]1CCCC12CC2 2255332931 QSHTWJQYEKJTNA-HOTGVXAUSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CCC(F)(F)C1 2259165133 YIPGBNGWAFGIAN-AWEZNQCLSA-N 259.384 4.538 30 10 CJEE CC1(C[C@@]2(C#N)CCCC23CCC3)CC(F)(F)C1 2263679343 CEBMQCHMCWLWBM-CQSZACIVSA-N 253.336 4.676 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1cc(C)c(F)c(C)c1 2264401074 JYINENDYQVMPTD-LRDDRELGSA-N 263.400 4.695 30 10 CJEE CCC[C@H](CS)CN(C)CC[C@@H]1CCCCC12CC2 2264865522 QVHZNOJGUSVZHV-HOTGVXAUSA-N 283.525 4.625 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2264936987 INCBRHHYLBVYHL-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC1=CCC[C@@H](C)[C@@H]1C(=O)CC=CC#CC(C)(C)C 2268748089 LRMHVZWMUBWVNT-NVXWUHKLSA-N 258.405 4.544 30 10 CJEE O=CC1(C[C@@H]2CCC[C@@H]2C(F)F)CCCCCCC1 2270041514 OOZOGVCKYHMGPG-KBPBESRZSA-N 272.379 4.988 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCCCC12CC2 2271626704 SSQJGZWQAMIRDS-PBHICJAKSA-N 263.425 4.692 30 10 CJEE C=CCCCCC[C@@](CC)(CCCC)OCC(=O)O 2275341651 VHPCFMTVZOPMRY-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1cscc1C 2276146321 XKTUQEZJNLPRQE-INIZCTEOSA-N 281.465 4.600 30 10 CJEE CCCCCCC[C@@](C)(CCC1CCC1)OCCN 2276281984 NWJHAFMEXOEXKA-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCC[C@@H](CC)CSCC[C@@](C)(C#N)NCCC 2278326442 UHRZOKHGBYGMBR-CVEARBPZSA-N 284.513 4.608 30 10 CJEE Cc1cccc2ccc([C@]3(C#N)CCC[C@@H](C)C3)nc12 2279724597 ZDQLKBMBZZWHAI-FZKQIMNGSA-N 264.372 4.515 30 10 CJEE N#Cc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1 2280432404 SFCQIPNUZZALIS-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE Cc1cc(N[C@H]2CCCCCC23CC3)cc(C)c1C#N 2280553685 NMBCAPZBHJTWDV-KRWDZBQOSA-N 268.404 4.700 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCc2sccc21 2284129335 MQTSIKTWQKDFEJ-GDBMZVCRSA-N 288.456 4.525 30 10 CJEE CC(C)CCC[C@H](C)CCOc1cc(C#N)cc(Cl)n1 2284895909 SNGRKYDKLAPMEV-ZDUSSCGKSA-N 294.826 4.838 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@H]2CO[C@H]1C2 2286245807 WREDONIHLQALSM-OKZBNKHCSA-N 282.468 4.837 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@](C)(O)CCC(C)(C)C 2287389976 KTDHXSLAQLLDGX-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCCCC(=O)c1cc(C)cnn1 2288672562 PWRSQQNOQIANLL-UHFFFAOYSA-N 276.424 4.889 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@]12CCC[C@H]1CC2 2289859207 ITUIAHMEWLWTRT-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(C2CCC2)CC1 2289898417 DNUZNDPVEMHTPX-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CC1(C)CCC(C)(C)[C@@](O)(C2(C#N)CCCCCC2)C1 2290267341 LLPXMEFPDFEGGB-GOSISDBHSA-N 277.452 4.818 30 10 CJEE C=CCCCC[C@](C)(OCCC(=O)O)[C@H](C)CC(C)C 2291483638 CAMYJFOTHVUMIE-WBVHZDCISA-N 284.440 4.665 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C1(CCC)CC1 2291568606 KKNJHDBVCMKIGW-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCC[C@H](CC1CC1)OCC(=O)O 2291711965 RIQAFZHAIQQLKF-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1cncc(Cl)c1 2292757789 GVKWDHCXLCRQFM-MRXNPFEDSA-N 298.858 4.502 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H]1[C@H]2CCCC[C@H]21 2293554844 SHEFOSMYFXXAFC-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCCCN)C1CCCC1 2293899379 UVBSRNMTXVATNS-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](CC[C@H](C)C(F)(F)F)OCCN 2293936561 RETCCXZUCKEAPV-UONOGXRCSA-N 297.405 4.669 30 10 CJEE C=CC[C@H](NCCC)[C@](C)(O)CCCCCCCCC 2295681663 IYAGCVHYSMTYDJ-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CC[C@@H]1C[C@@H]1C 2295683295 ZVLCJJBFNJGDQO-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1C(F)(F)F 2298888121 FZYGCBFMECAYAV-QMMMGPOBSA-N 264.287 4.901 30 10 CJEE CCC[C@@H](CC)COc1ccc(C#N)cc1Br 2307751710 KAANIKNNMDCOPN-LLVKDONJSA-N 296.208 4.526 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312871129 KQIIJMFJTDNMEU-QZWWFDLISA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@@H]2CC[C@H]1C[C@H]2N 2313028485 RRQBEHMRZPICBN-CAOSSQGBSA-N 255.421 4.593 30 10 CJEE CCc1ccc(C#N)c(SCC[C@H](C)C(F)F)c1 2316611679 AVRBAPIKWFXBQT-JTQLQIEISA-N 269.360 4.504 30 10 CJEE C=C([C@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C)C(C)(C)C 2320105369 YTAYOXWGPZCOTJ-KFWWJZLASA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC(C)(C)C(F)(F)CC 2321101006 GPPSJSAIIATPMM-TZMCWYRMSA-N 261.400 4.768 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H](C)CC(F)F)NCC 2321101576 KPUYTEFVAQBBRQ-IPYPFGDCSA-N 261.400 4.638 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc2cccc(Cl)c2o1 2321108291 ODUPOFZXFYXCOS-HZMBPMFUSA-N 263.768 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C1CCC(CC)CC1 2321108429 PKQYIRPUHWYXJZ-BACDZXNISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1csc(C(F)(F)F)c1 2321113958 SYSJAXBSJOAWCG-NSHDSACASA-N 277.355 4.630 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(CCC)s1 2321118906 WDTVUZGHQITVEV-HZPDHXFCSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)C(F)F)NCCC 2321136328 BRBSBPFEOQDTRY-LBPRGKRZSA-N 261.400 4.638 30 10 CJEE CC1(C)CC(CS)(COCC2CCCCCC2)C1 2321710367 LYZKBLSMZHNPCE-UHFFFAOYSA-N 270.482 4.710 30 10 CJEE Cc1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1C 2322922552 SIBIFWPGBMPJNX-UHFFFAOYSA-N 292.304 4.768 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CCC[C@@H]3C[C@H]23)CC1 2331317548 NOMSNAQYTXRXCV-WCVJEAGWSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCCCC=C1C[C@@H]2C[C@H]1C[C@H]2N 2333365861 XUWDNMKRMLYHMG-RCCFBDPRSA-N 261.453 4.977 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2334756506 RUKQWKYAAYURDN-BSDSXHPESA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)C(C)(C)C(F)(F)F 2335104245 XTFMKDZOFUMLEE-NWDGAFQWSA-N 297.430 4.641 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H](C)CC1CC1 2335214038 XUXJBEVEYYIKMB-RDJZCZTQSA-N 268.489 4.785 30 10 CJEE CCCCCCCCC[C@@H](N)c1snnc1C1CC1 2335787013 CDCVVEFTMSEYMR-CYBMUJFWSA-N 281.469 4.556 30 10 CJEE CCCCCCCN(C)c1ccc(N)c(C(F)F)c1 2339099260 ONPVTKLQLGBETO-UHFFFAOYSA-N 270.367 4.613 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1c(F)cccc1Cl 2339906084 UQZOZISLRVREMA-NSHDSACASA-N 273.738 4.634 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@H](F)C1)NCCC 2344337195 ORZUDYHFDQCFLI-QZWWFDLISA-N 269.448 4.875 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(Cl)c1OC 2344346207 QONLLELICSBYRM-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H](C)c1ccccc1)NC 2344349647 VGDNODJGYPPFDD-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE C=CCC(C)(C)[C@@H](NC)C1=CC[C@@H](C(C)(C)C)CC1 2344382533 GNDQZKZHGQBRFX-CVEARBPZSA-N 263.469 4.949 30 10 CJEE C=CCC(C)(C)[C@H](CCCCCCCCCC)NN 2344398918 ZCBQNEJVXANEAR-INIZCTEOSA-N 268.489 4.951 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ncsc1C1CC1 2344630364 SLFIIUIPKJDLTQ-JKSUJKDBSA-N 278.465 4.664 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)C12CC(CC(C)C)(C1)C2 2344841412 YRXPYSAQIGVORP-KNXWPPODSA-N 263.469 4.783 30 10 CJEE Cc1cc(C)cc(N(C)C[C@@](C)(CS)C(C)(C)C)c1 2352099430 OFZXKFFPEYZIGB-KRWDZBQOSA-N 279.493 4.722 30 10 CJEE CSc1cc(Oc2ccc(C)c(C)c2)ccc1C#N 2353835836 VEZDVUDEWPUJJL-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1CC[C@H](COC)C1 2358286449 NIUVYPROLDDTAN-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCCC#C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2358541093 MDKYVJOXQFKBCY-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)CC[C@@H]1C[C@@H]1CC 2358708643 GKDHDADXXVZODD-GVDBMIGSSA-N 282.468 4.883 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc(CN[C@@H](C)CC)cc1F 2360364189 KGRGHZNRQUJIAA-NWDGAFQWSA-N 299.430 4.910 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1cc(C#N)ccc1F 21513293 GXIRSGJXMRKNAF-CYBMUJFWSA-N 283.346 4.790 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Sc1cc(F)ccc1F 35676273 OFQLRQMKAWRXJN-MFKMUULPSA-N 267.344 4.529 30 10 CJEE C#Cc1cccc(NCc2c(CC)oc3ccccc23)c1 36909138 UMHYOULHSUQHNB-UHFFFAOYSA-N 275.351 4.589 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1cc(C#N)cc(F)c1C 37089257 IWJCPBYYJGXYOR-RISCZKNCSA-N 262.372 4.633 30 10 CJEE Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1C 37333956 WHFSUBGPJZDZSA-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CC1(C)CC[C@@](C#N)(Nc2ccccc2)c2ccccc21 37935391 ABACHLNHAOHXFS-IBGZPJMESA-N 276.383 4.589 30 10 CJEE CC[C@@H](CC#N)N[C@H](C)c1sc2ccccc2c1C 54183737 AYYYNRVKAUUBNL-OLZOCXBDSA-N 272.417 4.553 30 10 CJEE Cc1ccc(C)c(C[C@H](C#N)c2c(F)cccc2Cl)c1 57759909 DBZVPHWWRFADPS-CQSZACIVSA-N 287.765 4.946 30 10 CJEE N#CCCSCc1c(Cl)ccc(Cl)c1Cl 58256545 GICMMMDLLAHZPM-UHFFFAOYSA-N 280.607 4.794 30 10 CJEE Cc1ccc(O)c(/N=C/c2c(Cl)cccc2Cl)c1 59518892 WPAVRJNNXDZVQC-CAOOACKPSA-N 280.154 4.758 30 10 CJEE N#CC[C@H]1CCCC[C@H]1c1ccc(Br)cc1 62670600 MHCZLPKPEFFFLL-BXUZGUMPSA-N 278.193 4.637 30 10 CJEE C=CCCC[C@@H](NC)C(c1ccccc1)c1ccccc1 71276661 NQXWYFXWYKVCFE-LJQANCHMSA-N 279.427 4.763 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cc2)CCCc2ccccc21 87930102 YQSGWDRFPJUYKH-GOSISDBHSA-N 281.786 4.680 30 10 CJEE SC[C@@H](CSc1ncccc1Cl)c1ccccc1 94589698 AFMRLYPGQNKGEU-LBPRGKRZSA-N 295.860 4.541 30 10 CJEE C=C(CC)C[C@@H](N)c1cccc(OCc2ccccc2)c1 97284157 BJNVLHQZPQWUCZ-LJQANCHMSA-N 281.399 4.622 30 10 CJEE CCCCCCCNc1cccc(N2CCCC2)c1 109905153 SEZPSHYMSKNXEX-UHFFFAOYSA-N 260.425 4.669 30 10 CJEE CCCCCCCO[C@H](c1ccccc1F)[C@H](N)CC 109987597 BDFFBSIASKVULD-IAGOWNOFSA-N 281.415 4.591 30 10 CJEE CCCCCCC[C@@H](CN)N(CC)c1ccc(C)cc1 110025551 LFRFIUARULWLQO-SFHVURJKSA-N 276.468 4.509 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CC(=O)OC 110044034 LVYDTXQZODSXIT-KRWDZBQOSA-N 297.483 4.545 30 10 CJEE N#Cc1cc(Cl)ccc1Sc1ccc(F)cc1F 110354224 PZCHPWJEMWVNSN-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCCCCCC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 114877064 AHXDFEMOGFKLMZ-OLZOCXBDSA-N 266.347 4.831 30 10 CJEE CCCCCCCOc1ccc(Br)c(F)c1 115944599 OOIBDTZUEASMQK-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE CCCCCCCC[C@H](Cc1ncccc1C)NCC 117689229 PWNZLRCHIGLPQT-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1ncc(C)s1 123978711 LEPWRGLSQHNBNZ-GXTWGEPZSA-N 268.470 4.851 30 10 CJEE CCCCCCCCCC[C@H](C[C@H](C)OC)NCC 134481840 WLCFAYJOHINCPC-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCSc1ccc(N)cc1OC 149565478 JZIAZKACYSYXIC-UHFFFAOYSA-N 267.438 4.730 30 10 CJEE CCCCCCC[C@@H](N)C1C2CC3CC(C2)CC1C3 158096580 CDTVBRNSSDFFND-SVXFNXITSA-N 263.469 4.747 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)s2)CCCCCCC1 158982347 HPNQXNIKOPEZEP-CYBMUJFWSA-N 283.824 4.689 30 10 CJEE CCCCCCC[C@H](O)C1(C#N)CCCCCCC1 158990016 UFIHVMQPKMFAHD-INIZCTEOSA-N 265.441 4.962 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CCCS1 160971603 KPRVKMPOBUFJKO-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCCC(=O)[C@]1(OC)CCC[C@H](C)C1 161009321 YAMJLQFGRBSXAI-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE CC(C)c1ccccc1NCc1ccc(C#N)cc1Cl 162577834 UHRLMAMZSFTCQZ-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE CCCCCCCCC(=O)c1ccc(C)c(OC)c1 164753493 JSFITMMIHJAWSK-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC=CCC1 189885677 LXVZXPRQFMOXJK-INIZCTEOSA-N 283.415 4.833 30 10 CJEE O=C(C1=CCCCCC1)c1csc2ccccc12 203383296 ZXNURXAGLNWNKO-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccc(C(C)C)cc1 212963348 FJRIXAZGBKIMKM-ROUUACIJSA-N 270.420 4.639 30 10 CJEE CCCCCCCCOc1ccc2c(c1)C(=O)CC2 218269142 YOBWSPFIKRMKIL-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227072980 VIVGUPDIRXYOAU-PVUWLOKVSA-N 291.460 4.799 30 10 CJEE C=C[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCCC 229674421 PTJBAJJHUUQNGE-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCc1noc(N)c1C(C)C 229854564 STAOJZNDEKZGPI-UHFFFAOYSA-N 252.402 4.673 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc(Br)ccc2F)CC1 235292530 ODQKJBZFZSRTEO-VIFPVBQESA-N 297.167 4.517 30 10 CJEE C=CCCCCCNc1ccc(C)cc1Br 235762859 POPRWMJUQYXQJR-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 250837012 SIZZYSKIRXTOPB-IXDOHACOSA-N 251.458 4.641 30 10 CJEE Cc1cc(Cl)ccc1N=C1CCCN1C/C=C/Cl 255980641 JFCLLYIQQNUTEN-QTGLWHKESA-N 283.202 4.527 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1C(F)(F)CCC#N 258941034 CKWQGCOVLMZQNJ-UHFFFAOYSA-N 265.347 4.997 30 10 CJEE C=C(Br)CSc1ccc(Cl)cc1Cl 306170647 DRLKRGSBQZROJI-UHFFFAOYSA-N 298.032 4.994 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](c2cccs2)C(C)C)c1 308111310 XRSSWUUCUCEBML-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE C=CCCCCC[C@@H](N)c1c(C)cccc1Br 310476180 KGEXXQUIODROHW-CQSZACIVSA-N 296.252 4.894 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC(C)(C)c2ccccc21 312352460 TYCMHSTWSAPXCH-QGZVFWFLSA-N 271.448 4.991 30 10 CJEE C=CCCCCCCNCc1cc(Cl)cc2c1OCC2 312578665 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CJEE C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1cc(Cl)cc(Cl)c1 2229695732 RYEDUEKLDBFLMZ-FIXISWKDSA-N 297.229 4.726 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CCC)CNC(C)(C)C 2231020156 SOVZOHRSWITTIM-HOTGVXAUSA-N 269.473 4.695 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](NC)[C@@]1(C)CC 2231028193 ZWIPSIYNOXGLBS-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C[C@H](CC(=O)C#Cc1cccc(Cl)c1)CC(C)(C)C 2231085416 UDCBQXUUGFGTBV-CYBMUJFWSA-N 276.807 4.723 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](OC)C1 2231945339 FGIKWPKOYWXIEL-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C=CCCCCCCCCOc1ccc(F)cc1C#N 2234042891 OVSKUZLIKQGEKK-UHFFFAOYSA-N 275.367 4.993 30 10 CJEE C=CCCCCCCC[C@]1(CNC2CC2)CCCCO1 2235524282 OQDCPHRYWOPJFW-GOSISDBHSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCC(=O)C1CC2(CC(OC)C2)C1 2235533348 AJFNVXQUUPWPBQ-UHFFFAOYSA-N 278.436 4.677 30 10 CJEE C=CCCCCCCC[C@H](NCCC)c1ncoc1C 2235536449 VROAZYMDMQAHOC-INIZCTEOSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CCOC12CCCC2 2235539968 SEGPTEWFPCBNLF-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE CCCCCCCCOC[C@@H]1CC[C@H]1CNC1CCC1 2237252968 KBQRPQJRKPNOHX-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE CCCCCCCCN(C)[C@H](C)[C@@H](C)CN[C@@H](C)CC 2238939706 SLXWRDGJQLJHIZ-OKZBNKHCSA-N 284.532 4.691 30 10 CJEE CCCCCCCCCOc1nc(C)c(CO)cc1Cl 2239469444 UMUQEZLVCNVPJJ-UHFFFAOYSA-N 299.842 4.665 30 10 CJEE CCCCCCCCCOc1nc(C)c(CNCC)s1 2239488679 BRENIDQVKGOBRK-UHFFFAOYSA-N 298.496 4.690 30 10 CJEE CCCCCCCCCCO[C@]1(C(=O)O)CCC[C@@H]1C 2239504496 UGIWVJWGOFJEKU-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)O[C@@](C)(C(=O)O)[C@@H](C)CC(C)C 2239505162 QAQHPPYSXGLTIB-ZMSDIMECSA-N 284.440 4.663 30 10 CJEE CCCCCCCC[C@@](C)(O)C1(CN)CCCCCC1 2240616882 XGSGPCWKSYYOIE-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)CN1CCCCC1 2240653956 MGWOQAPCHWOPEU-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](N)[C@H]1CC[C@@H](C(F)(F)F)C1 2253848833 DHERWZOJZRPONX-XQQFMLRXSA-N 265.363 4.653 30 10 CJEE CCSc1cccc(SC[C@@H]2CC2(C)C)c1C#N 2254065906 SRMMJHFGUVNNDL-NSHDSACASA-N 277.458 4.808 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(OC)c1Cl 2256188720 QDLALCRQXQJQMQ-CYBMUJFWSA-N 268.784 4.519 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCC[C@@H]1C 2259166356 AEKWEAFUMHBOTN-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCC1(CNCC(C)C)CCCC1 2259236954 IRYXGZGYDDUTBU-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)c1cc(Cl)cs1 2261532544 SXHRNXJMCLGGJH-JSGCOSHPSA-N 289.872 4.513 30 10 CJEE SCCCCCCCN1CCC[C@H]1C1CCCC1 2263207254 XBWNKWTWIGVXCY-INIZCTEOSA-N 269.498 4.521 30 10 CJEE CC1CCC(CN(C)CCCCCCCS)CC1 2263212133 QIXZDRAGSNTOHD-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H]1CC1(F)F 2263662097 RAQJJWSWDIHAAS-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@@H]1CCCC12CC2)NCCC 2266595518 PBWWNHFMPVPQRL-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(OC)c1Cl 2268082300 BORZNWJINKQOMI-LRDDRELGSA-N 281.827 4.602 30 10 CJEE CCCN[C@H]1CCCC[C@H]1CC=CC#CC(C)(C)C 2268743419 RLWFSBZYAKOHAZ-SJORKVTESA-N 261.453 4.541 30 10 CJEE CC[C@H]1CC[C@H]([C@@H](N)CC=CC#CC(C)(C)C)CC1 2268817593 VIIOSBIVLKGJJM-ULQDDVLXSA-N 261.453 4.526 30 10 CJEE C=CCC[C@@H](C)Oc1cc(C)c(Cl)cc1[C@H](C)NC 2270976157 MUHGLKWBIHXGEI-OLZOCXBDSA-N 281.827 4.662 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(C(F)(F)F)o1 2271837062 OAVKEBMSSVEXSB-NSHDSACASA-N 275.314 4.695 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)CCO[C@H](C)C1 2272284269 NOAPZUSLTBXGFE-BBWFWOEESA-N 265.441 4.938 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)CC1(C)CCCC1 2273978034 RULJKSGWUASTBZ-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC1(C)CCC[C@H]([C@@](C)(N)CC#CC2CCCC2)C1 2274171395 NDCXKKSMKPZDDS-WMZOPIPTSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@](C)(C=C(C)C)OCCC(=O)O 2274657000 NRVITCPGLUSESC-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)CC)OCCC(=O)O 2275613533 UIYAFPDTGLNTSO-CABCVRRESA-N 272.429 4.643 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCN)c1cc2cscc2s1 2277124082 DKFTXNFSQKFHQF-ABAIWWIYSA-N 295.473 4.582 30 10 CJEE CCCCCCC[C@@](C)(CCC(C)C)OCCCN 2277210719 PGONWYLBHIASEM-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE C=CC1(C[C@H](N)c2sc(C(F)(F)F)cc2C)CCC1 2277874087 BYSUKIBZPXYWJN-JTQLQIEISA-N 289.366 4.822 30 10 CJEE CCCCCCCCC[C@H](C)NCCC[C@@H](C)CO 2278235995 DOCFNOFRIKDYDN-SJORKVTESA-N 271.489 4.514 30 10 CJEE C=C(C(C)(C)C)[C@](O)(c1ccccc1)C1CCCC1 2278285849 WYSIZLUMEJKENT-SFHVURJKSA-N 258.405 4.667 30 10 CJEE C=C1CC(C[C@H](NCCC)C2(C)CC(C(F)(F)F)C2)C1 2279322110 HPQDDFVXKOSNDD-SLTAFYQDSA-N 289.385 4.690 30 10 CJEE CCCc1ccc([C@H](CC#CC(C)(C)C)NCC)cc1 2283479284 HQXUPYNEVPXQEF-SFHVURJKSA-N 271.448 4.729 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(CCC)cc1 2283537353 KZBQUGHHVAVCEK-QFBILLFUSA-N 273.464 4.762 30 10 CJEE CCCCCCCCOC[C@@H](NCC)[C@H]1CC12CCC2 2283691787 VLSXXIOGHLZMBJ-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE CC(C)(C)C#CC=CCC1(N)CC2(CCCCCC2)C1 2284087809 GWQAAFNLOOTWCO-UHFFFAOYSA-N 273.464 4.814 30 10 CJEE CC[C@](N)(CC=CC#CC(C)(C)C)c1ccc(Cl)cc1 2284089639 MPLPBFBXIPLYOE-SFHVURJKSA-N 289.850 4.900 30 10 CJEE CC(C)(C)C#CC=CCc1cccc(OC(F)(F)F)c1 2284097848 BMNADMATDBZJES-UHFFFAOYSA-N 282.305 4.733 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CCC1CCC1 2284101483 SPJAQZTTXXCREC-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(CN)CCCC(C)(C)CC1 2284106612 JBRCWFKWCMISAS-IBGZPJMESA-N 275.480 4.918 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)CSC1CCCC1 2284114371 YSVDBBIYSIVINK-MRXNPFEDSA-N 293.520 4.636 30 10 CJEE Cc1cc(F)ccc1[C@H](C)Nc1cc(Cl)ccc1C#N 2285161674 CXUVWBRPFFYFFO-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCCCCC(=O)[C@@H](C#N)c1cccc2ccccc12 2285329040 QEDIZBLYCNROOE-KRWDZBQOSA-N 265.356 4.596 30 10 CJEE C=CC1(NCCCCCCCCCCO)CCCCC1 2286794410 MGAKKUCFVHAEQE-UHFFFAOYSA-N 281.484 4.578 30 10 CJEE C=C(C)CCCCC(=O)[C@](C)(O)c1cc(C)cc(Cl)c1 2287370303 PZXITTCZQZWPHQ-QGZVFWFLSA-N 294.822 4.562 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1sc(C)cc1C 2287373525 WKDIEOOOSDAZLR-HOTGVXAUSA-N 295.492 4.513 30 10 CJEE C=CC[C@]1(COCC[C@H](C)CCCC(C)C)CCCN1 2287935526 XBSPCZPLTQWSJJ-QZTJIDSGSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCCO[C@H](C)CNCC(C)C 2288119435 TZWCSCHLINUWEK-GOSISDBHSA-N 283.500 4.944 30 10 CJEE CCCCCCCC[C@](C)(C=C1CCC1)OCC(=O)O 2291285651 PGMKVWNXVCUEQT-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1cc(F)ccc1Cl 2292793815 UNGRESZUVXVGMF-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)C=CC[C@@H](CC)C1 2292905830 JYOPONXHOFAEQF-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=C1CC(CC2(OCCN)CCCCCCCCC2)C1 2293272545 SWJTZLTZPAEKIA-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCC[C@@]1(OCCCN)CCC1(C)C 2293872691 GAEUQTPTXSTKKU-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C([C@@H](OCCCN)C1(C)CCCCCC1)[Si](C)(C)C 2294333908 QFVJZRKBBSIDLM-MRXNPFEDSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@]12CCC[C@H]1C2 2294451973 FWXPDDFMZRZTHL-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@]1(OCCN)C=CCC(C)(C)C1 2294594645 MODLGDGIXNLHIR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)C1CCCCC1 2295197077 MLBIEGQUFIMXTR-GOSISDBHSA-N 289.850 4.640 30 10 CJEE C=C[C@H](CC)O[C@@](C)(CCCCCCCCC)C(=O)O 2295587807 CYVYNODRXHJNET-WBVHZDCISA-N 284.440 4.952 30 10 CJEE O=C(C(F)=Cc1ccc(C(F)(F)F)cc1)c1ccccc1 2297201530 ZIVGOEKBTSDDMJ-UHFFFAOYSA-N 294.247 4.899 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccc(Cl)c(F)c1 2300097890 OWBXVEFEQZNSKS-NHCYSSNCSA-N 253.748 4.768 30 10 CJEE COCCCCCSC[C@@](C)(CS)C(C)(C)C 2307236308 RAQTZSROCLKDMB-CQSZACIVSA-N 278.527 4.519 30 10 CJEE C=C([C@H](N)c1c(Cl)cc(C)cc1Cl)[Si](C)(C)C 2307611367 JPERMDYEHGNCAW-ZDUSSCGKSA-N 288.294 4.735 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2307616537 AMSRKGHNJZKRHI-NSHDSACASA-N 272.219 4.919 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccccc1Cl 2313523871 FNUIEZIXEBCYNA-HNNXBMFYSA-N 281.852 4.594 30 10 CJEE CC(=CCOC[C@@H](CS)C1CC1)CCCC(C)C 2316546833 ICCJIHNWDIGSOZ-INIZCTEOSA-N 270.482 4.732 30 10 CJEE CCCCCCC[C@](C)(O)C[C@](C)(F)C(C)(C)F 2328050747 SOMGCAWHOCEATA-GJZGRUSLSA-N 264.400 4.964 30 10 CJEE CC(C)[C@@]12CC[C@@H](N(C)CCCCCCCS)[C@@H]1C2 2335055773 RSBQAFBICVBBPO-BBWFWOEESA-N 283.525 4.623 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 2337110641 CQDISADVKWJWAP-RIUYPTKQSA-N 261.453 4.536 30 10 CJEE CCCCCCCCCCN1CC[C@@](F)(C(F)F)C1 2337735628 FCSDLRIRIGHVNI-HNNXBMFYSA-N 279.390 4.806 30 10 CJEE C=CCC(C)(C)OCCCCCCCNCC(C)C 2337933031 PIYNOPMZWXPMOL-UHFFFAOYSA-N 269.473 4.554 30 10 CJEE CC(C)c1ccc(F)cc1NCC(C)(C)CCC#N 2340233645 URNXKPWPYCPZEN-UHFFFAOYSA-N 262.372 4.691 30 10 CJEE C=C(C)CCNC[C@@H](c1ccccc1)C1CCCC1 2342479333 GAVRYQLGEFIBIP-SFHVURJKSA-N 257.421 4.516 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2343131093 YOEYKPRWSOPGHN-ZWNOBZJWSA-N 280.774 4.587 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CC[C@@H]1C(C)(C)C 2343142821 XMXZFEZTKYWODU-GJZGRUSLSA-N 260.421 4.624 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1CC[C@@H]1C(C)(C)C 2343211531 ZAOUZDPBGPTPQH-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@@H](NC)C1(C(C)(C)OC)CC1 2343532368 RPDIJZKKAYJKEO-OAHLLOKOSA-N 269.473 4.530 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C)c(C)c1 2344343014 MVOGNULVUASDBZ-ZWKOTPCHSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@]12CCCC[C@@H]1CC2)NC 2344359178 XODMQUMCVRCBHW-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(F)c(Cl)c(F)c1 2344378617 VHROSFSWZXCBKX-AWEZNQCLSA-N 287.781 4.871 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@@H](C)[C@@H](C)C1 2352001169 KQYWERANAXLMLK-DVOMOZLQSA-N 282.449 4.520 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1ccc(C#N)cc1Cl 2352166236 NVYABXKWVNTWBD-HNNXBMFYSA-N 297.851 4.573 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1O2 2353906970 OGQQUXOTYZBCIO-XLAORIBOSA-N 281.484 4.673 30 10 CJEE CC(C)[C@@]12CC[C@@H](Nc3cc(Cl)c(F)cc3C#N)[C@@H]1C2 2356129317 MNNPHCHUZHDIRP-PEYYIBSZSA-N 292.785 4.587 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@]2(C)OC 2356202942 ZRUMEUJXSYDVJY-XSLAGTTESA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@@H](C[C@@]12CCOC[C@@H]1C2)NCC 2357373165 AHIFCAJBICSKJQ-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H]2C[C@@H]1CO2 2359074862 RFTRMQXNGWZYNK-XDNAFOTISA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CCC2)CC[C@H]1NCC 2360206519 YEMUPSROQNJDHJ-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE C=CCC(CC=C)Sc1nc(C(C)(C)C)ccc1C#N 2360382815 PPWSWSJXRUMSMX-UHFFFAOYSA-N 286.444 4.864 30 10 CJEE CSc1ccc(/C=C2\CC/C(=C\C(C)C)C2=O)cc1 3895512 JKYBLNBHSSPWMF-WFYKWJGLSA-N 272.413 4.737 30 10 CJEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 14549581 PVJRXKVONROQKA-BXWFABGCSA-N 290.341 4.524 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 33682202 BQBLDWMZTOEBKD-LUAWRHEFSA-N 250.341 4.508 30 10 CJEE Cc1ccc(N[C@]2(C#N)C[C@@H](C)CC(C)(C)C2)cc1 37935470 ZRRXLMVGELYSJJ-WMLDXEAASA-N 256.393 4.516 30 10 CJEE C=C(C)Cn1c(Cc2ccccc2C)nc2ccccc21 40226378 LUIIPLWAQQHOFO-UHFFFAOYSA-N 276.383 4.512 30 10 CJEE CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 49541002 IUYYSDDZCGDALV-XJKSGUPXSA-N 284.428 4.812 30 10 CJEE C=C[C@@H](C)Oc1c([C@H](C)NC(C)C)ccc2ccccc12 52141578 CIKVOMHLMHYBTE-CABCVRRESA-N 283.415 4.852 30 10 CJEE N#CC[C@H](Nc1cccc(Cl)c1F)c1ccccc1 55016128 RGBRNYYPYZMCEL-ZDUSSCGKSA-N 274.726 4.546 30 10 CJEE Cc1ccc(OCC[C@](C)(C#N)c2ccccc2)cc1C 57687636 ZWARRQJKHVXKOS-LJQANCHMSA-N 279.383 4.554 30 10 CJEE CCCCCCCCOc1ccccc1[C@H](N)CC 59088214 BAEUUVJPSZYSLK-MRXNPFEDSA-N 263.425 4.836 30 10 CJEE CC[C@H]1CCCC[C@]1(C#N)Nc1cccc(Cl)c1 71162368 WDABPKPTVKOEEO-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE Cc1ccc(C)c(-c2cc(C#N)c(C(C)(C)C)o2)c1 77084778 GUZBGPMROSMOMZ-UHFFFAOYSA-N 253.345 4.733 30 10 CJEE N#Cc1cccc(Nc2cc(Cl)cc(Cl)c2)c1 82714992 NLMYAIUQTNNHJO-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cccc(Br)c2)C1 87996857 SPQDDRGALBOVCU-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE Cc1ccc(C(C)C)cc1OCC1(CS)CCCC1 94585495 SZJQXNFOPOBRPG-UHFFFAOYSA-N 278.461 4.987 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(OCC(C)C)cc1C 107615696 LZUJHCOJWXOOSA-HOCLYGCPSA-N 258.405 4.793 30 10 CJEE CCCC1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265389 FZNXRAIBDPTBOX-FGTMMUONSA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@@](C)(Nc1ccccc1C)C(=O)OC 110318802 FZJNEFKGNVTLGC-GOSISDBHSA-N 291.435 4.699 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@H]1CCC 114071335 SNWOHRRGOAKEOQ-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CCCOC1 114997910 VBOGNQWOKREOPY-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCc1nc(-c2ccccc2N)no1 115858918 PMVDKUHNODADLW-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE CCCCCCCCC(=O)C1(N(CC)CC)CCCC1 118174972 PFODWASIJWCFJH-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCC[C@H](CCCc1ccccc1)NN 122420570 RQZZVMFDMHVFMG-GOSISDBHSA-N 276.468 4.592 30 10 CJEE CCCCCCCCO[C@@H]1CCC(C)(C)[C@H]1NCCC 123878648 FJGUHLGPVPRXHU-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1Cc2ccccc2O1 126644105 XYTISVWBASRZOS-PKOBYXMFSA-N 289.463 4.719 30 10 CJEE CCCCCCCC(=O)[C@@H]1CC(C)(C)OC1(C)C 128538132 FRZRUPTXVIZGLA-ZDUSSCGKSA-N 254.414 4.510 30 10 CJEE C=CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 131314841 DASGBFIDKONAER-HZSPNIEDSA-N 252.398 4.506 30 10 CJEE C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(C#N)s1 134662559 UAUSUEMRSFRKRD-MNOVXSKESA-N 290.819 4.685 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(OC)c1OC 139616646 XDECBMSANKKZQJ-INIZCTEOSA-N 293.451 4.715 30 10 CJEE CCCCCCCCNc1cc(Cl)nc(C2CC2)n1 147272601 HMMYVUWLBFFFRD-UHFFFAOYSA-N 281.831 4.780 30 10 CJEE C=CCC[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccccc1 183347246 MNJVMJIRJWXWKM-PBHICJAKSA-N 296.439 4.978 30 10 CJEE CCCCCC/C=C/NC(=O)Oc1cccc(C)c1 207032129 KXXLLEGGTVQXRA-XYOKQWHBSA-N 261.365 4.568 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cncn1C 215020216 XDFBTAOPUOORCI-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)C2CCC(C)CC2)C1 222795744 XIFIGZXVHHULCA-TVLITYMTSA-N 276.468 4.605 30 10 CJEE C#C[C@H](CCC)N[C@@H](CC(C)(C)C)c1ccccc1 229912898 APFJZRSIZAKSFF-SJORKVTESA-N 257.421 4.555 30 10 CJEE C=CCSCCN[C@H](C)c1cc(Cl)ccc1Cl 231933412 MFKDZHIFFWEFIN-SNVBAGLBSA-N 290.259 4.563 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@H]1CNCC 232949712 OUUOVWWIRBJTJG-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 233282764 GEPHJLCFVUMDQP-ZWNOBZJWSA-N 298.249 4.870 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(F)ccc1C 233607656 XMVRSDMFQCAYFF-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE Cc1cccc2cc(C(=O)C3=CC[C@@H](C)CC3)oc12 235699355 RZWQMHIBKHAGAV-LLVKDONJSA-N 254.329 4.670 30 10 CJEE C=CCCCCC[C@@H](C(=O)O)c1ccc(Cl)cc1 236456009 PCUBVHUCRZUMHD-CQSZACIVSA-N 266.768 4.645 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCCC 252774254 WLDXFVGCVWFBGU-FGTMMUONSA-N 277.496 4.868 30 10 CJEE CC(C/C=C/c1ccccc1)=NNc1ccccc1 254288334 FXFRKROXJLRPEN-LRVNMVSOSA-N 250.345 4.578 30 10 CJEE CC[C@@H](C#N)c1nc(-c2ccc(C(C)C)cc2)c(C)[nH]1 258826475 ZBZBGSXKYLCEMC-ZDUSSCGKSA-N 267.376 4.526 30 10 CJEE C[C@H](C#N)c1cc(C(C)(C)CC(C)(C)C)ccc1O 260757859 ZIZADRISTCLPKQ-GFCCVEGCSA-N 259.393 4.733 30 10 CJEE Cc1ccc(N[C@@H](C)c2cc3ccccc3s2)nc1C#N 302659130 ORIGZROCJBLGED-LBPRGKRZSA-N 293.395 4.650 30 10 CJEE Cc1c(Cl)ccc(C2=CC(=O)CC(C)(C)C2)c1F 310724690 BPUVTNFZGMAAMJ-UHFFFAOYSA-N 266.743 4.560 30 10 CJEE CCC[C@@](O)(C1CC1)C1(C#N)CCC(C(C)(C)C)CC1 312779868 DFYLOXPFLPZWGT-IUPXNIOVSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@]2(C)CCC[C@]2(C)O)CC1 313163740 PBTBYLYRKFHQOA-YCHGYYGWSA-N 277.452 4.674 30 10 CJEE C=CCCCNCc1ccc(-c2nc3ccccc3s2)o1 313988995 HRFKYMMDPSABBV-UHFFFAOYSA-N 298.411 4.612 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CCCC(F)(F)F)C1 316957807 CXYCQPRMXFPTJY-NWDGAFQWSA-N 250.304 4.505 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCCCC2(F)F)C1 317254540 DUQAGVRCVMDPSW-KFWWJZLASA-N 272.379 4.988 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(F)cc2Cl)CC1 317915100 RWKANQHVNROCQF-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](CC)C2CCC2)C1 325549370 KJZZKLRGRIHJGY-BGTYHANMSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCn1ccc(CNC2CC2)c1C 379870389 CBRHRDJNBCHHLD-UHFFFAOYSA-N 276.468 4.799 30 10 CJEE CCCCCCCCNC[C@@H]1CCCCC1(F)F 381987509 XCHNJSDKHCTHIF-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(F)cc1Cl 387470372 SHVUXBSHJMSSBZ-INIZCTEOSA-N 299.817 4.501 30 10 CJEE C=C([C@@H](CCC1CCCCC1)NCCC)C(F)(F)F 388553234 WKXUQDUWYGHMIZ-CQSZACIVSA-N 277.374 4.834 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2ccc(C)cc2)C1 394541904 UHLCHKCTLLBGTJ-VYDXJSESSA-N 256.393 4.516 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C[C@@H](C)C(C)C 399407593 UUXAQEPIDGZQPM-MSOLQXFVSA-N 284.532 4.678 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC 402129729 FJZLRVUYKXPDHH-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCCCCCN(C)Cc1cccc(Br)c1 404183018 IFHSFSDWCGGXIO-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE C=CCCCc1ccc(Br)cc1Cl 404467335 XDEAIKMYMLCJPA-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cc(C(F)(F)F)ccc2Cl)C1 406036735 QLMSFLCSBFEMGL-QMMMGPOBSA-N 288.696 4.741 30 10 CJEE C[C@@H]1CCCCC[C@@H]1/N=C1/NC2(CCCCC2)CCS1 687318157 MQKULXHHWOLJTN-CABCVRRESA-N 294.508 4.741 30 10 CJEE CCCCCCCCCNc1cccc(CN(C)C)c1 689454216 IIEANXPTALDYIV-UHFFFAOYSA-N 276.468 4.911 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCCCC3(F)F)C[C@@H](C1)C2 697309641 BBKJUXOVDQGPFV-QGPPMGRFSA-N 283.406 4.536 30 10 CJEE CC[C@H]1CC[C@](C#N)(CCCOC2CCCCC2)C1 699945797 FNSCGUIHKPLYMN-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CC1(F)F)NCC 701153110 WVJRDKWQFLIRHH-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CC1(C)C[C@@]1(C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 702172421 KPYUKUPMASBKQU-VFZGTOFNSA-N 296.197 4.606 30 10 CJEE CCCCCCCN[C@@H](C)CCc1cccc(C)c1 703776996 JEVXORUIMGWRHS-KRWDZBQOSA-N 261.453 4.876 30 10 CJEE CC(C)CCCCOC[C@@H](CS)c1ccccc1 705863334 KCXYVMQFVBYKQE-INIZCTEOSA-N 266.450 4.543 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(O)[C@]1(C#N)CCCC[C@H]1C 709147312 ZLXZTPPLBGZLDC-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@@H]1C[C@@H](C)CC(C)(C)C1 709186731 ZRYGUQSYYTZVCO-CZUORRHYSA-N 270.420 4.518 30 10 CJEE C[C@H](N(C)c1cc(Cl)ccc1C#N)[C@]12CCCC[C@@H]1C2 709258917 BTVRXILLHUGXNM-DXCKQFNASA-N 288.822 4.617 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1C1CC1 710015568 JTNCGCAGSYSLLW-ZBFHGGJFSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)[C@@H]1CCCCO1 711852193 SHSCPLSNBLHMRQ-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1C[C@H]1C1CC1 712952822 GNMUWXMHJRHULX-IKGGRYGDSA-N 251.458 4.891 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714466806 QMHLHTVNXPFHQA-BSDSXHPESA-N 275.480 4.621 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(C)c1Br 715720535 NUPVPHYTYZWXDF-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE C=CCCC(C)(C)NCc1ccc(CSC(F)F)o1 717917993 DQCYNWOVONNFGP-UHFFFAOYSA-N 289.391 4.570 30 10 CJEE C=C1CCC(CN[C@@H]2CCCCC23CCCC3)CC1 724552827 CQVUHFCIPIIEEV-QGZVFWFLSA-N 261.453 4.825 30 10 CJEE C=C1CCC(C[C@H](O)c2ccccc2SC)CC1 724553534 TYGMQKYHAQOMQQ-HNNXBMFYSA-N 262.418 4.578 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC[C@H](C)C2)CC1 724593065 XFCMOTAIUVPOEJ-JQHSSLGASA-N 263.469 4.927 30 10 CJEE C=C1CCC(COc2ccc3ccc(O)cc3c2)CC1 724608434 LMWLSBARDDEONN-UHFFFAOYSA-N 268.356 4.671 30 10 CJEE N#Cc1cc2c(OC(F)(F)F)ccc(C(F)F)c2s1 725291616 VZFPUTGJBCSOEN-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=CCCc1ccccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 1128409357 DNJRNHYGQYACJN-HUUCEWRRSA-N 285.431 4.816 30 10 CJEE C=CCCC(=O)N[C@@H](c1ccccc1C)C1CCC(C)CC1 1130686761 JPRXFICFMYFYAD-MKJPBZQASA-N 299.458 4.945 30 10 CJEE C#CCC1(NC(=O)C[C@H](C)CCC=C(C)C)CCCCC1 1134071267 NYIMAYHHVCBAMZ-QGZVFWFLSA-N 289.463 4.601 30 10 CJEE CCCCCCCN(C)Cc1cccnc1C(F)(F)F 1144531664 SELUEMABJDTPJZ-UHFFFAOYSA-N 288.357 4.503 30 10 CJEE C=C(C)CCN[C@@H](C)c1cc(Cl)ccc1OC(F)F 1168563181 FEOADBSOSIUMBO-JTQLQIEISA-N 289.753 4.558 30 10 CJEE C=CC[C@@H](OC(=O)CCC)c1ccc(Cl)c(Cl)c1 1270227688 CELWQVVKURPJPZ-CYBMUJFWSA-N 287.186 4.954 30 10 CJEE C=CCCC(C)(C)CNC(=O)CCCC1CCCCC1 1287603729 QOWPJTAJWJXPBT-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE CCCCCCCCCOc1cc(C)ccc1C=O 1307393521 MMPPIRVEYPCWBX-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2cccc(SCC)c2)C1 1308423904 IFFGCRGIVCZWLJ-ZBFHGGJFSA-N 275.461 4.633 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1Cc2ccc(Cl)cc2C1 1308970444 AJPAITSLBASCPM-SJORKVTESA-N 277.839 4.532 30 10 CJEE C#Cc1ccc(N[C@@H](C)CCc2ccc(Cl)s2)cc1 1308973522 FCZDCWGEZLEXOV-LBPRGKRZSA-N 289.831 4.816 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N(CCC)CC1CCCCC1 1312365100 GMFQXYOUEWHUOB-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE C=CC1(CC(=O)Nc2ccccc2SC)CCCCC1 1350965675 KWWILJWHFRMJNC-UHFFFAOYSA-N 289.444 4.874 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1SC(F)(F)F 1356286458 BUCUUINPZZNORO-UHFFFAOYSA-N 289.322 4.593 30 10 CJEE C=CCCCC(=O)Nc1nc(/C=C/c2ccccc2)cs1 1360333511 KPWWZWBOUKTTJR-VAWYXSNFSA-N 298.411 4.608 30 10 CJEE C=C[C@H]1CCCCN1C(=O)[C@H](CC)CC1CCCCC1 1436095104 JZNSZRLEDITKHI-SJORKVTESA-N 277.452 4.550 30 10 CJEE C=CCC1(NC(=O)Cc2cccc(C3CC3)c2)CCCCC1 1436261255 YQFJPQUJRWGYNG-UHFFFAOYSA-N 297.442 4.502 30 10 CJEE C=CCN(CCCC(C)(C)C)CC1CCCCC1 1459481343 IDOIKNRLRAHXNY-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(Cl)c(CN(C)C)c1 1462154576 HWHUAZKDRSMMIE-HNNXBMFYSA-N 294.870 4.948 30 10 CJEE C#Cc1ccc(NCC[C@H](C)CCC=C(C)C)cc1 1462644960 RFUSNXJXYORLAC-MRXNPFEDSA-N 255.405 4.852 30 10 CJEE CCCCC1CCC(CNc2nccc(C)c2C#N)CC1 1472667752 ACPUQSRFOGVVLF-UHFFFAOYSA-N 285.435 4.670 30 10 CJEE C=CCC[C@H](CCC)NCCOc1ccc(Cl)c(F)c1 1474523482 CXCOBUFVXDUVLV-ZDUSSCGKSA-N 299.817 4.582 30 10 CJEE C#C[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C 1474563497 QPQPPARHTNJCLK-FMSGJZPZSA-N 295.879 4.531 30 10 CJEE C=CCC1(NCCCCCOc2ccccc2)CCCC1 1474628598 HXLNBTUJPTTYER-UHFFFAOYSA-N 287.447 4.714 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCOC12CCCCC2 1474730143 OWBVXSREQCLMQJ-SJORKVTESA-N 279.468 4.593 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc2ccsc12 1476315402 MKDKAIHTHGYHJA-GFCCVEGCSA-N 288.416 4.768 30 10 CJEE C=CCOc1ccc(OC(=O)CCCC[C@H](C)CC)cc1 1530863535 DACKADOSIZGLPC-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2ccccc12 1538884511 MYFKHZWYMCKUIP-VQIMIIECSA-N 293.410 4.705 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2cccc(C)c2o1 1538890312 NWHRJCBPDJQIPA-HOCLYGCPSA-N 297.398 4.606 30 10 CJEE C=CC(C)(C)CCNC(=O)CC1CCC(C(C)(C)C)CC1 1588063367 ODMUBVQYZICIND-UHFFFAOYSA-N 293.495 4.948 30 10 CJEE C=C(C)CCSc1nccn1-c1cccc(C)c1C 1613426904 SLASWSZGTGVSTO-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cccc(C(F)(F)F)c1 1616833117 XSHIMKMPBCDNCD-AWEZNQCLSA-N 297.364 4.940 30 10 CJEE C=CCCCN(CC)C(=O)c1cc(-c2ccccc2)oc1C 1618469972 MXQULMKNMNFKNC-UHFFFAOYSA-N 297.398 4.683 30 10 CJEE C#CCCCCCCN[C@@](C)(Cc1ccccc1)C1CC1 1621395307 XINPLHNRKOWIPY-FQEVSTJZSA-N 283.459 4.571 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1c(CC)cccc1CC 1622823606 VMXBXYSMJVKLRH-AWEZNQCLSA-N 288.435 4.678 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccccc2)o1 1647741269 LJCZWZOGZMXRLO-CRAIPNDOSA-N 296.414 4.566 30 10 CJEE C=CCC1(NC/C=C/c2ccc(Cl)cc2)CCCC1 1647775185 WMOUTZZCVWYAAR-AATRIKPKSA-N 275.823 4.832 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(CCC)s1 1655985256 BBXPGKXVJJYODT-CYBMUJFWSA-N 251.439 4.535 30 10 CJEE C=CCC[C@@H](CCC)NCc1cc(C2CC2)ccc1F 1659296607 MDAKYYYYDCXSIJ-QGZVFWFLSA-N 275.411 4.928 30 10 CJEE C=C(C)c1cccc(NC/C=C\c2cccc(F)c2)c1 1663414406 SEENHHJMPFABFU-ALCCZGGFSA-N 267.347 4.984 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H](c2ccccc2)C1 1664582355 LCPHPGDGTYCSKP-VQTJNVASSA-N 283.459 4.886 30 10 CJEE 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10 CJEE C[C@H]1C[C@H](C)C1N(C)CCCCCCCCCS 2317047422 LEOCKWZADDARPX-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCCCC#CC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2318358370 UGXUSZYTBMOPRJ-CYBMUJFWSA-N 288.193 4.716 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(F)c(C)c1Cl 2321102001 NHHQTOILGVQIKZ-LSDHHAIUSA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc2ccsc2c1 2321113733 QVJOIUOCRFXBRZ-CVEARBPZSA-N 259.418 4.894 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(C)cc1Cl 2321115102 CWAJLECHVWRXSX-JKSUJKDBSA-N 265.828 4.511 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1CCC(CC)CC1 2321220946 XDKXDPBVQGXHDS-SJJHQCBESA-N 252.442 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CCCC(F)(F)C1 2321226620 XXYCYNMCRPIVQS-MCIONIFRSA-N 260.368 4.555 30 10 CJEE CCC[C@H]1CCCCN1C[C@](C)(CS)C(C)(C)C 2327096999 QAYMPEGGRYHSMY-GOEBONIOSA-N 271.514 4.623 30 10 CJEE C=C1CC(C=O)([C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2327978738 PHBWTEBWRDBCRH-NSHDSACASA-N 283.198 4.941 30 10 CJEE CCC(=NOCc1ccc(F)cc1)c1ccc(C)c(C)c1 2330246311 KQHAHAUWZMLMCL-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE N#Cc1cc(Cl)ccc1OC(CC1CC1)CC1CC1 2335094929 VRNISEJUVZMRSK-UHFFFAOYSA-N 275.779 4.559 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1ccccc1C(F)(F)F 2337110743 DSKGKCWXLLCHTP-DGCLKSJQSA-N 269.310 4.862 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)ccc1C 2337113483 IMBGILWCCWMGCD-JFIYKMOQSA-N 257.421 4.699 30 10 CJEE CC[C@](C=O)(Cc1cc(F)ccc1C(F)F)C(C)C 2337993519 FHNCOMOSYBLXNB-OAHLLOKOSA-N 272.310 4.557 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CCCC[C@@H]1C 2338737193 BFJCSAOFNNEUDZ-MAUKXSAKSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(C)cc1F 2338741080 LAHISJNSVZICMN-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C#CC[C@H](C[C@H](N)c1ccc(Cl)c(Cl)c1C)C1CC1 2339013138 HMDCUFIVBDTDRJ-DOMZBBRYSA-N 296.241 4.741 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(F)cc2C2CC2)CC1 2339212421 CNTTWYZLCVKABL-NSHDSACASA-N 258.336 4.632 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccccc1C1CC1 2341695288 FQYVRUPKKCUSTN-KSSFIOAISA-N 256.389 4.502 30 10 CJEE C=C(C)C[C@@H](CC(C)(C)Cc1ccccc1)NCC 2341929432 OUHUJSFKLSUQEM-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cccc(CC(C)C)c1 2344340692 UNQCHOKKXNMTEY-QGZVFWFLSA-N 259.437 4.748 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@]1(C)CCCCC1(F)F)NCC 2344347606 CQIGIHPQOLEUTM-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC(C(F)(F)F)CC1)NC 2344349561 ULZJJXMJJDXRIE-GFJIZPEISA-N 277.374 4.545 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@H]1CC12CCCCC2 2352166009 LWSKXAQGAJNGKZ-GDBMZVCRSA-N 284.509 4.956 30 10 CJEE CCCCC#CC[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2358137083 BQKDGILADRYDAJ-INDMIFKZSA-N 275.480 4.765 30 10 CJEE CCCC(C#N)(CCC)c1ccccc1Br 34875839 KAHKUUUEJHFJLI-UHFFFAOYSA-N 280.209 4.811 30 10 CJEE Cc1ccc(SCCCOc2ccc(C#N)cc2)cc1C 37143638 IPDXALFIWDESQL-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE C=CCSc1ccccc1NCc1cc(C)c(O)c(C)c1 37766839 AMABRMLDZWIAPD-UHFFFAOYSA-N 299.439 4.899 30 10 CJEE Cc1ccc(N[C@H](C#N)c2c(Cl)cccc2Cl)cc1 37935636 GRUGKSSGHCYVBS-CQSZACIVSA-N 291.181 4.979 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2ccc(F)cc2)cc1 41385504 NIXKNYNYVPYIPE-KRWDZBQOSA-N 267.347 4.799 30 10 CJEE C[C@@H]1CCC[C@@]2(CS/C(=N\c3ccccc3Cl)N2)C1 53099252 SMSOFLDPWREIBJ-ABAIWWIYSA-N 294.851 4.613 30 10 CJEE CCc1ccccc1OCCC[C@@H](C#N)c1cccc(F)c1 57688491 BGHKZPVBDVUWDK-KRWDZBQOSA-N 297.373 4.854 30 10 CJEE CCCCOc1ccc(/C=N/Nc2ccccc2C)cc1 59159220 JHJKTAMGPDNVCW-XMHGGMMESA-N 282.387 4.620 30 10 CJEE CCCCCCCCNc1ccc(-n2cccn2)cc1 59431328 SFRCXNPJLFNSTG-UHFFFAOYSA-N 271.408 4.645 30 10 CJEE CCCCCCCNc1ccccc1CN(CC)CC 59462135 FBKWSQLCAHAJHC-UHFFFAOYSA-N 276.468 4.911 30 10 CJEE CC(=O)c1ccc(/N=C/c2cccc3ccccc23)cc1 59518606 KESYDKKUAPTTFU-DEDYPNTBSA-N 273.335 4.793 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(CC)cc1 59526353 ZOFOMSLZZMSPHR-UHFFFAOYSA-N 276.420 4.809 30 10 CJEE CCCCCCCCCCCC(=O)Nc1cccc(N)n1 60064060 WJCCTERAGQHSLN-UHFFFAOYSA-N 291.439 4.523 30 10 CJEE N#Cc1cc(CSc2cc(Cl)ccc2Cl)ccn1 68768635 QAKXTWISTVYUNJ-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE N#Cc1ccc(Cl)cc1NC(=O)C1CCCCCCC1 86579795 GYFWDOLZEOWOGN-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE CCc1cc(OCCCC(C)(C)C#N)ccc1Cl 87609003 SHVMELIYSAOMMR-UHFFFAOYSA-N 265.784 4.611 30 10 CJEE C=CCC[C@H](Cc1cccc(C(F)(F)F)c1)NCCC 88714346 HTYCXTCZCGYTLF-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)CCNC 91466750 UVNYMNDXRGCGTF-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2c(Cl)cccc2Cl)CC1 91880801 JSELHTLNJPNUSK-CUMGRINNSA-N 298.213 4.747 30 10 CJEE CCC1(CC)CCN(CC(CC)(CC)CS)CC1 94579891 ZMMCTVBPBBBWIZ-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCC(CS)(CCC)COc1ccccc1OCC 94582648 ODHYWAWCPLZLEI-UHFFFAOYSA-N 296.476 4.981 30 10 CJEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@H]1C3 100065031 TUJQVRFWMWRMIO-GNVSMLMZSA-N 288.475 4.948 30 10 CJEE endogenous,in-man CCCCCCCCNC[C@@H](c1ccc(C)cc1)N(C)C 106351716 ZUGDUVIEGSIWBY-IBGZPJMESA-N 290.495 4.548 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(C)c(OCCC)cc1C 107653897 YOWWYUVDXLLHDW-CZUORRHYSA-N 258.405 4.855 30 10 CJEE CC(C)N(Cc1cccs1)c1cc(Cl)ccc1C#N 110255404 RGWODPUIKWTZHO-UHFFFAOYSA-N 290.819 4.688 30 10 CJEE CCCCCCC[C@@H](O)C1(c2ccccc2)CCC1 111609893 XNTJPKTWHMCMHA-QGZVFWFLSA-N 260.421 4.830 30 10 CJEE CCCCCCC[C@@H](O)c1ccccc1OC(F)F 114873405 FOKZFHVJEZHZAT-CYBMUJFWSA-N 272.335 4.682 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](N)C12CCCCCC2 117341666 BLCOQYPXVHIREF-DLBZAZTESA-N 281.484 4.804 30 10 CJEE N#Cc1ccccc1/C=C(\Cl)c1nc2cc(F)ccc2o1 121321591 UUPWJYSDERTJNV-QPEQYQDCSA-N 298.704 4.575 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ncccc1F 124175124 WLABWHVRXSBEGZ-OAHLLOKOSA-N 266.404 4.622 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 127610207 OJEATLKMUSNINN-CYBMUJFWSA-N 292.448 4.659 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 130957927 WCYOVWFJHBPMGY-WDEREUQCSA-N 284.325 4.814 30 10 CJEE C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(C#N)s1 134837709 VEHVRQOSDOPVEX-CYBMUJFWSA-N 298.455 4.768 30 10 CJEE Cc1ccsc1[C@@](C)(O)C1(C#N)CCCCCCC1 158992463 AOHYFWBYISFSRL-OAHLLOKOSA-N 277.433 4.518 30 10 CJEE CCCCCCCCNc1cc(NCC)nc(C2CC2)n1 159048760 BCZVWKXPYVGKTO-UHFFFAOYSA-N 290.455 4.558 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2)C1 222238543 QOUMPUWDWTWSAN-FMKPAKJESA-N 259.418 4.887 30 10 CJEE CC(C)CC[C@H](C)Nc1cc(Br)cc(C#N)c1 227619006 JPCMJOIGNIGYLP-NSHDSACASA-N 295.224 4.557 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCOC2(CCCC2)C1 228787423 NODGYTQPGQKRKX-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(F)cc(Cl)c2)C1 228855093 VDXPTOMEKHUGBX-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE C=CCSCCN[C@H]1CCCC[C@H]1C1CCCCC1 231930574 HLUUXXVXAMUYHM-IRXDYDNUSA-N 281.509 4.634 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H](C)N[C@@H]1CC 232202590 SEYLSSDBCXNCNE-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE C=CCCCCC[C@H]1CCC[C@@H]1CNC(C)(C)C 232506195 LDRRWOYGNHORQM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCN[C@H]1CCCC[C@H]1SC 232938960 URZLLTZKODYQFY-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCO[C@H]1CC 232947500 MUYBCPINKLOGLY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@@H]1CNC(C)C 232961866 IEFUBABKSCEZHP-SJORKVTESA-N 269.473 4.530 30 10 CJEE C=CCCCN(C)c1ccc([C@H](CC)NCCC)cc1 233120606 GRCSNNDRNCSTJM-SFHVURJKSA-N 274.452 4.540 30 10 CJEE C=CCN(CCC)c1ccc([C@H](CC)NCCC)cc1 233120707 ZTDVKKLOEOZOSJ-SFHVURJKSA-N 274.452 4.540 30 10 CJEE C=CCCCCC[C@H](Cc1cccs1)NCCC 233163649 PSAAXBXVMWTTSN-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NN 253009966 RAKRUCFKDJWBNJ-XLAORIBOSA-N 280.500 4.785 30 10 CJEE Cc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1 254292658 AKYMDYXLFODLOK-UHFFFAOYSA-N 296.373 4.847 30 10 CJEE CC(C)c1ccc(C(C)C)c(C(C)(C)CC#N)c1O 260614384 PIDAHQZZZPDJJZ-UHFFFAOYSA-N 259.393 4.830 30 10 CJEE CCCC[C@H](CC)Cn1ccc2cc(C#N)ccc21 300459255 HCSGNZPTMNLZGK-AWEZNQCLSA-N 254.377 4.729 30 10 CJEE CC[C@H](C#N)c1cc(C)c(OCc2ccccc2)c(C)c1 309983892 WJPDLJHIHIOXOS-QGZVFWFLSA-N 279.383 4.900 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)[C@H](C)c1ccc(Br)cc1 317151269 ORNXZQDAYGEQPZ-JMSVASOKSA-N 295.220 4.558 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCSC(C)(C)C)C1 317393929 YTABPOLNKDUYGE-HIFRSBDPSA-N 256.455 4.694 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)cc1Cl)C(F)(F)F 382547517 ZNVHMUOMUXLCIM-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE CCCCCCCCCC[C@](C)(O)[C@@H]1C[C@H]2CC[C@H]1O2 386574855 RTEPIQYFJREPBT-TVFCKZIOSA-N 282.468 4.836 30 10 CJEE CC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)C1CCCC1 387489015 YMHPITOJTGGGOQ-QGZVFWFLSA-N 270.420 4.868 30 10 CJEE CCC(CC)n1ccc(C[C@@]2(C#N)CCCC[C@H]2C)n1 394978915 VCYZLRIETXQMLZ-RHSMWYFYSA-N 273.424 4.507 30 10 CJEE C=CC[C@@H](CNCCC)Cc1c(Cl)cccc1Cl 395341411 YJIFUIJLHWHBDL-GFCCVEGCSA-N 286.246 4.728 30 10 CJEE C=CCSc1ccccc1N[C@H](C)[C@H]1CC1(C)C 397737623 MEHQAFIBAXNIEU-CHWSQXEVSA-N 261.434 4.811 30 10 CJEE CCCCCCCC[C@@H](NN)c1csc2c1CCCC2 399773411 MVWWWJMOUVOESK-MRXNPFEDSA-N 294.508 4.882 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1O 402249975 HQOYYBALWTUWPI-BZUAXINKSA-N 282.468 4.571 30 10 CJEE C=C(C)CCSCc1coc(-c2cccs2)n1 507111885 RPECESIPFAMDDH-UHFFFAOYSA-N 265.403 4.603 30 10 CJEE C#CCCCCC[C@H](NC)C1CCC(C(C)C)CC1 686679918 URRHVAGOEVXBMQ-ABHNRTSZSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@@H](NCC)c1c(F)ccc(C)c1F 686698107 ZBNXENRXBJCNAJ-OAHLLOKOSA-N 279.374 4.508 30 10 CJEE CCCCCCCCCCC(=O)C[C@H](CN)C(C)C 690480200 MWBVUOBZMQZVOC-MRXNPFEDSA-N 269.473 4.707 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@H]1CCCC(C)(C)CC1 697845088 SONCYHGFWDPHRK-INIZCTEOSA-N 278.484 4.997 30 10 CJEE C=CC[C@H](CCCOC1CCCCC1)CNCC(C)C 699827629 DVKMAMKDWJNWPC-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCC[C@@H]1C(C)(C)C 701856061 OQDPQSJZQYCSNA-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@H](NCC)C(C)(C)C(F)(F)F 702056642 ADFPNNJQKQOLNJ-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H]1CCCCC[C@@H]1N 704085809 HIQOCCRIHXDNNQ-FGTMMUONSA-N 283.500 4.786 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCCC12CC2 706219193 XYUPDFOMCARLLN-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C[C@H](N(C)c1cccc(Cl)c1C#N)[C@]12CCCC[C@H]1C2 709263832 KAXCPPFEQUPZRD-GDZNZVCISA-N 288.822 4.617 30 10 CJEE C=CC[C@H](C)n1ccc2cccc(Br)c21 715727956 ZELUBQXUTJYUPB-JTQLQIEISA-N 264.166 4.541 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@@H](C)c2ccc(Cl)cc2)N1 716913303 VHIOVUWEIDVJSG-COPLHBTASA-N 296.867 4.651 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/CC2(CC(C)C)CCCC2)N1 716967874 INLLAANMGYPRIA-LSDHHAIUSA-N 296.524 4.843 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1c(F)cc(C#N)cc1F 718948957 RQQYUMSWSIPJOJ-AWEZNQCLSA-N 278.346 4.607 30 10 CJEE CC[C@@H](OCC1(CS)CCCCCC1)C1CCC1 719754465 JHGSAUSMDPYQRV-OAHLLOKOSA-N 270.482 4.852 30 10 CJEE CCCCCCCC[C@@]1(N)CCO[C@H](C(C)(C)C)C1 721504472 MPJWAJNWSCBVJN-DOTOQJQBSA-N 269.473 4.660 30 10 CJEE N#CC1([C@]2(O)CC[C@@H]3CCCC[C@H]3C2)CCCCCC1 723610139 QATNBMYOIYQRBG-BQFCYCMXSA-N 275.436 4.572 30 10 CJEE C=C1CCC(C[C@H](NC)c2cccc(C)c2F)CC1 724589905 UDWZTKJKQJYDEZ-INIZCTEOSA-N 261.384 4.531 30 10 CJEE CCCCCCCCCCn1cc(C)c(C(=O)OC)c1 724625639 JZIWREOBMXZBDL-UHFFFAOYSA-N 279.424 4.724 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@](C)(CC)CCC 1126063635 UTKUSGXKMAKDTE-GOSISDBHSA-N 279.468 4.798 30 10 CJEE C=CCN(Cc1cccs1)C[C@H]1CCCC[C@H]1C 1180505140 HLHVZGHHQHDZTL-HUUCEWRRSA-N 263.450 4.562 30 10 CJEE C=CCCC1(CNC(=O)N(CC)[C@H](C)C(C)C)CCCC1 1230917475 DFVFSBCKKOYTEH-MRXNPFEDSA-N 294.483 4.589 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(CCC)cc1 1265133272 GWRSJJBAMZLVEA-UHFFFAOYSA-N 299.458 4.848 30 10 CJEE C=CC[C@@H](C)N1CCC[C@H](CCCc2ccccc2)C1 1307591859 CVCZWEFPQRPFOR-MJGOQNOKSA-N 271.448 4.686 30 10 CJEE C#CCC1(NCCCC2CCCCC2)CCCCC1 1308104879 HZDFCCTVGILQTO-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C=CCC1(C(=O)Oc2cccc(C)c2C)CCCCC1 1350285133 BGDHUERAQNEOLK-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1c1ccc(C)cc1 1353925308 BJOVMAXTTOPLRY-WMZOPIPTSA-N 285.431 4.651 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1459859244 GQTHRISNZJZVCJ-RRQGHBQHSA-N 277.839 4.983 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccccc1C 1460552796 HFXYJBPJFWYDCI-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE C=CC(C)(C)CCNCc1ccc(F)c2ccccc12 1461657540 RIZHBERQWDEFIN-UHFFFAOYSA-N 271.379 4.671 30 10 CJEE C=C1CCC(C(=O)Nc2cccc([C@@H](C)CC)c2)CC1 1461686088 AQRPAWKJALWPMY-AWEZNQCLSA-N 271.404 4.885 30 10 CJEE C=CCCC(C)(C)NCc1ccc(F)c(Cl)c1Cl 1474219393 ADQVPVFXAFYMQJ-UHFFFAOYSA-N 290.209 4.967 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1CCC(C)C 1478295702 YTTOYFHUDJDRDI-SJORKVTESA-N 294.483 4.732 30 10 CJEE C=CCCCCCCCNC(=O)[C@H](C)c1cccc(C)c1 1527549944 VEVGBBDATFDNQF-QGZVFWFLSA-N 287.447 4.741 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(Cl)ccc1F 1527917797 OPLKMRXDDFMNOW-UHFFFAOYSA-N 297.801 4.736 30 10 CJEE C=C[C@H](OC(=O)C1CCCCCCC1)c1ccccc1 1532387470 KZHSZTJFPCBRCP-KRWDZBQOSA-N 272.388 4.817 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](C)c1cccc2ccccc12 1540293987 JDCXOBLIFDJRCW-OAHLLOKOSA-N 281.399 4.619 30 10 CJEE C#CCCCCCCN1CC[C@H](C)C2(CCCCC2)C1 1559772549 WRWXASFOEVCYSE-SFHVURJKSA-N 275.480 4.862 30 10 CJEE C#Cc1ccc(N[C@H](C)CCc2ccsc2)c(Cl)c1 1561031687 YWRTXHGCWNMUHS-GFCCVEGCSA-N 289.831 4.816 30 10 CJEE C=CCC1(CNC(=O)C[C@H](C)CCCCC)CCCC1 1587304610 HFZAAAAKHSXOAN-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=C(C)c1cccc(NC(=O)c2coc3ccccc23)c1 1616752457 UXAJRLCZJBXKKC-UHFFFAOYSA-N 277.323 4.718 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1 1617395376 VGHDCHVFDIFSNM-RDJZCZTQSA-N 287.447 4.677 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](CC)c1ccc(Cl)s1 1617608950 YMJQVRYVMTZCDZ-LLVKDONJSA-N 285.840 4.571 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 1620215605 WUMHUYLQIPSFIC-GFCCVEGCSA-N 284.230 4.782 30 10 CJEE C=CCCCC[C@@H](C)NCC[C@@]1(C)CC1(Cl)Cl 1652477756 GTZWTTWYGUKYPE-OLZOCXBDSA-N 278.267 4.685 30 10 CJEE CC#CCN[C@H](C)c1ccccc1-c1ccc(Cl)cc1 1653064775 BQHUYARDTGFUJV-CQSZACIVSA-N 283.802 4.681 30 10 CJEE C=CCCCC[C@H](C)NCc1coc(-c2ccc(C)cc2)n1 1653088007 BYIBRQPSJKLFJR-INIZCTEOSA-N 298.430 4.875 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H](C)C(C)(C)C 1653500409 OFXCZGKCRAKDGU-INIZCTEOSA-N 259.437 4.747 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccnc(Cl)c1Cl 1656622668 LQPLVPVXYLVIMD-YPMHNXCESA-N 299.245 4.613 30 10 CJEE C=CCC1(NC/C=C\c2cccc(F)c2)CCCCC1 1657367184 JGLNFKXEKCMMMQ-CLFYSBASSA-N 273.395 4.708 30 10 CJEE C=CCCCCN(CC)[C@H](CC)Cc1ccc(C)cc1 1657403895 YISFURGUNBMYJN-LJQANCHMSA-N 273.464 4.994 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)Cc1ccccc1SC 1660459029 XUOBPGILKGNCKH-HNNXBMFYSA-N 291.504 4.922 30 10 CJEE C=CC(C)(C)CNC1CCC(C2CCCCC2)CC1 1662470100 ZAFMKXJOGAHRJP-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C)c1 1665516141 UPGFAVFTNCIAOS-WBVHZDCISA-N 286.419 4.560 30 10 CJEE C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCC[C@@H]1CCC 1680958831 ASPIEJVLJZRQKW-YESZJQIVSA-N 294.483 4.637 30 10 CJEE N#CCc1cc(Cl)cnc1-c1cc(Cl)ccc1Cl 1848377936 GJCFUSPXAZLULP-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(C)cc2)c1 1874595762 BXRZNRXKBSOFMU-FMIVXFBMSA-N 292.378 4.846 30 10 CJEE C=CC[C@H]1CCCCN1CCSc1ccc(C)cc1 1883936401 NCDGNMIQSLUUBB-INIZCTEOSA-N 275.461 4.518 30 10 CJEE CC#CCCCC[C@@H]1CCCC[C@H]1CNCC(C)C 1885235900 IDXUITRTXWAMPG-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE CC#CCCCCC(=O)C1CCC(C(F)(F)F)CC1 1885368673 UCXKPBCRWLGVNE-UHFFFAOYSA-N 274.326 4.508 30 10 CJEE C#CC[C@H](C[C@@H](O)C1(C)CCCCCCC1)C1CC1 1887098665 OJRHBTUTJFCFHT-IAGOWNOFSA-N 262.437 4.538 30 10 CJEE C=CCCCCC[C@@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 1890281120 ZVCUXXFYWGYGJZ-YFVGIKETSA-N 262.437 4.700 30 10 CJEE FC(F)(F)CSCCCCCCCCCS 1899328219 PRFWZJZSQTVBHT-UHFFFAOYSA-N 274.417 4.942 30 10 CJEE C=CCCCCCCO[C@H](CC)CNCc1ccccc1 1906546214 XYADYPUZHFZJCC-LJQANCHMSA-N 289.463 4.708 30 10 CJEE CCCCCCCCC[C@H](O)C=Cc1ccc(N)cc1 1912112312 XDWOFQOYFIRFDO-SFHVURJKSA-N 275.436 4.784 30 10 CJEE CCCCCCCCCCCCO[C@H]1CCN[C@H]1C 1914305452 RJUQKMBBDBYBEV-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC(=O)c1cn(CC)c(CC)n1 1914510468 SGENARIUGYKHHD-UHFFFAOYSA-N 278.440 4.789 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCCC(C)C)NCC 1921131833 OIVHNFGOLCRJJC-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1CC)NCC 1921152139 ATKSZEPTIIIUKP-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC(C)(C)CC[C@@H]1O 1927054730 GWPVQSPAVHERKL-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE C[C@@H](CC1(C#N)CCSCC1)C1CCCCC1 1942123676 PCFYLXBTQWKIQJ-ZDUSSCGKSA-N 251.439 4.630 30 10 CJEE C=CCCCCOc1cc(Cl)cc(Br)c1 1975342382 WRKCNDBVGTVIEB-UHFFFAOYSA-N 289.600 4.838 30 10 CJEE C=C[C@H](C)CN[C@H](CC)c1ccc(Cl)cc1Cl 2014921519 NBZJYHHSBPJFDI-IINYFYTJSA-N 272.219 4.856 30 10 CJEE CC#CCCCC[C@@H](O)c1cc2cscc2s1 2019508161 HZLWCXRIGMIQDZ-GFCCVEGCSA-N 264.415 4.580 30 10 CJEE C=CCC[C@@H](C)Nc1cc(OC)c(Cl)cc1Cl 2024115515 JXTCMBVMGBRIML-SECBINFHSA-N 274.191 4.769 30 10 CJEE C=CCCCCCC[C@](C)(N)CSC(C)(C)C 2026012164 KJIDUDULCHITJQ-HNNXBMFYSA-N 257.487 4.762 30 10 CJEE Cc1cc(C[C@@]2(C#N)CCC[C@H](C)C2)ccc1Cl 2028856365 GSTRZYHEYIBXOW-BLLLJJGKSA-N 261.796 4.911 30 10 CJEE CCCCCCCCCNC1CC[C@H]2C[C@@H]2CC1 2028976501 SPWUVBQBMUURLT-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](F)C1 2034872089 JKFRXEPYMDOOJO-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE CC1CCC(C#N)(CC2CC3(C2)CC3(F)F)CC1 2036736513 BPFFACKPMUITLI-UHFFFAOYSA-N 253.336 4.532 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nc(C)cs1 2037065520 UUBOYYWICIIQHM-HNNXBMFYSA-N 268.470 4.766 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCC2(CC2)C1 2038566751 FLXJHLAGBIQRHH-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccsc1C(F)(F)F 2039892930 YJQDDDQYIZFLRH-MWLCHTKSSA-N 277.355 4.630 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1ccsc1C(F)(F)F 2039901497 IYVKQRDFAMOVOS-CABZTGNLSA-N 273.323 4.639 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CC[C@@H]2C[C@@H]21 2040235335 IHOBFTAENYDYNF-NCOADZHNSA-N 251.458 4.761 30 10 CJEE C=CCCC[C@@]1(CNC(C)(C)C)CCS[C@H](C)C1 2041711735 KEYQXNGTIKMTMD-GDBMZVCRSA-N 269.498 4.633 30 10 CJEE C=C(C)CC[C@H](NCC)c1c(F)ccc(F)c1Cl 2045704465 LKYJNCFHCHJXSJ-LBPRGKRZSA-N 273.754 4.625 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)cncc1Cl 2045791630 ZXELMXKXGDINDR-IINYFYTJSA-N 287.234 4.641 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(C(F)F)o1 2048222044 WEPIFLFIKUFBFI-CQSZACIVSA-N 259.340 4.752 30 10 CJEE CCCCCCCN(C)C[C@H]1CCCC2(CC2)C1 2052298755 DXGCJYKTVQXTLL-INIZCTEOSA-N 251.458 4.859 30 10 CJEE C=C[C@@H](C)C[C@@H](NC)C1CCC(C(C)(C)C)CC1 2053064027 YQWNEGSJGGMTCS-PRLABOORSA-N 251.458 4.639 30 10 CJEE FC(F)Oc1cc(C(F)F)cc(C(F)(F)F)c1Cl 2054931613 RDSITILLYAILDS-UHFFFAOYSA-N 296.569 4.898 30 10 CJEE CCCCCCCN(C)[C@H](C)C[C@@H](C)C(F)(F)F 2057739818 VKTICLQPVRRHND-CHWSQXEVSA-N 267.379 4.866 30 10 CJEE CCCCC1CC(C#N)(Nc2cccc(Cl)c2)C1 2059533543 NGLWYPMHKDNFAT-UHFFFAOYSA-N 262.784 4.614 30 10 CJEE CC#CCCC[C@@H](NCC)[C@@H](CCC)CC(C)C 2073672413 SHXASSWNDVSIJH-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C=CCN(Cc1cc(C(F)(F)F)cs1)C(C)(C)C 2075240818 VZGSZMVREQIMDW-UHFFFAOYSA-N 277.355 4.553 30 10 CJEE CCCCCCCCN(C)C[C@H](F)C1CCCC1 2075949079 LVTXIKFWJLGMRG-INIZCTEOSA-N 257.437 4.807 30 10 CJEE N#CC1(C[C@@H]2C[C@H]2C2CCCCC2)CCSCC1 2079916445 ZRLWYAAAZVRSFN-GJZGRUSLSA-N 263.450 4.630 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@H](C)CCCC 2083405235 HQDRYARATPHKQQ-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCCC#CCC[C@H](NCC)c1cccc(Cl)c1 2083434982 XDAWJQPGWODPKL-INIZCTEOSA-N 263.812 4.574 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 2086260321 XZOCIDPPMRIOTK-HZMVEIRTSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCCCNC[C@@]1(F)C[C@@H]1C 2086288960 IRRZWPBYJLANTG-HOTGVXAUSA-N 255.421 4.631 30 10 CJEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCCC2(C)C)sc1C 2087186294 UWVCHIZAKIFXIV-ZBFHGGJFSA-N 277.433 4.509 30 10 CJEE C=CCCCCCCNCc1ccccc1CCC 2088226883 BUGNVHKAIQZWNK-UHFFFAOYSA-N 259.437 4.865 30 10 CJEE CCCCCCC[C@]1(C)N[C@@]2(CCC[C@H](C)C2)CO1 2088240863 TWWGGPHWBYRMLG-GVDBMIGSSA-N 267.457 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CC(C)(C)CC2(CC2)C1 2090741877 QYOHUIZYHLWFRQ-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCC=C1CCOC[C@H]1N 2092310711 YPIPFFFIBLVBFW-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=CC[C@H](C[C@@H]1CCCC[C@@H]1C(F)(F)F)NCCC 2092662133 KDIKNTKONZXMQI-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC1(C)CCC[C@]1(C#N)CCCCC1CCOCC1 2093006300 QJJPHRQGYZBKKH-KRWDZBQOSA-N 263.425 4.693 30 10 CJEE C=C([C@H](NCCC)c1cc(C)cc(F)c1)C(C)(C)C 2096619943 CJUFIKJUDZEMGT-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=C(C(C)(C)C)[C@@]1(N)CCCC[C@@H]1c1ccccc1 2098581947 GJABCWUCBJGMOA-AEFFLSMTSA-N 257.421 4.644 30 10 CJEE C=C1CCC(C[C@@]2(C(=O)O)CC23CCCCC3)CC1 2100470610 NFLRPTUFSVBBFX-KRWDZBQOSA-N 262.393 4.548 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccccc1C)NCCC 2102103247 HXABUJQLQQPZMD-SJLPKXTDSA-N 259.437 4.508 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(F)c1C 2102106836 OGMCXNLLLXEJGJ-SUMWQHHRSA-N 263.400 4.777 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)C1CCC(C)(C)CC1 2102227236 OLGUUGLMQZTSTK-ZDUSSCGKSA-N 256.393 4.575 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 2102476717 HNXAFYDRGKOGCI-TVFCKZIOSA-N 263.469 4.641 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 2102477033 LDMCQRQISKNSBY-TVFCKZIOSA-N 263.469 4.783 30 10 CJEE C=C1CC(CC[C@H]2CCCC2(F)F)(CNCCC)C1 2103346168 ZWHZTSJJYLRVJR-CQSZACIVSA-N 271.395 4.538 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@H]2C[C@H]3CC[C@H]2C3)C1 2103348508 PRAIVVWQUKLTKW-JYJNAYRXSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](NCC)c1ncoc1C(C)C 2104136618 YNLLRMMYMYUCKY-AWEZNQCLSA-N 266.429 4.809 30 10 CJEE CCCCCCCC[C@@H](NC)c1ncoc1C(C)C 2104136625 YNZSQHWXWFMTEK-CQSZACIVSA-N 266.429 4.809 30 10 CJEE CCCCCCCC[C@]1(CNC)C[C@@]1(C)C(F)(F)F 2105513240 XCTWYRGAELKIRG-ZIAGYGMSSA-N 279.390 4.915 30 10 CJEE CCCCCCC[C@@]1(CNCC)C[C@]1(C)C(F)(F)F 2105514877 VCNQHHXEXVDSJY-KBPBESRZSA-N 279.390 4.915 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(C)nn(C)c1Cl 2107781617 IKJRJTMVBVZJHW-CYBMUJFWSA-N 285.863 4.522 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1(C(C)C)CCC1 2108009742 QYPSFCKVBUZBHQ-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C=CCCCCC[C@]1(CNC2CC2)CCC12CCC2 2110457816 IQSIDSAQROUOHW-GOSISDBHSA-N 261.453 4.825 30 10 CJEE CCCCCCCCCCN[C@H]1CC(C)(C)[C@H]1OC 2111308030 WLCYTFXKMZPGMQ-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)C1CCCCCCC1 2111311862 DIEQSHBMIBDKLN-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C#CC(C)(C)C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 2111312041 FNWDNDCQDFQFSX-QAPCUYQASA-N 263.469 4.621 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@]2(C)CCCCC2(F)F)C1 2111664493 VUQLNIDPAQJUOV-OAHLLOKOSA-N 270.363 4.908 30 10 CJEE C=C(CNc1cc(F)c(F)cc1Cl)c1ccccc1 2112342459 OGBBJLQGODPUFD-UHFFFAOYSA-N 279.717 4.744 30 10 CJEE C#CCC[C@H](NCC)[C@H]1CC[C@H](CCCCC)CC1 2112398671 GXUSZLQOTDCOJJ-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE N#CC1(Nc2ccc(F)cc2)CCCCCCCC1 2112435967 DDDVMJYLEWYVGK-UHFFFAOYSA-N 260.356 4.634 30 10 CJEE C=CCC[C@@H](C)C[C@@H](NCCC)c1cccc(F)c1 2113388140 LKMUUVPUXIGIFZ-RHSMWYFYSA-N 263.400 4.859 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CCCCC1(F)F)NCCC 2116655509 GKPHWFMNUCRTNX-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=C[C@H](C)C[C@H](Cc1cccc(Cl)c1C)NCCC 2116656398 RJICHGLIKWMSJL-XJKSGUPXSA-N 279.855 4.771 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@@H](c2ccsc2)CS1 2118996995 RPGZBZVDQAJSQK-ZIAGYGMSSA-N 296.505 4.841 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@H]2CCC[C@@H]2C(F)(F)F)CC1 2119114198 OVCHPGJGYJGFLS-AGIUHOORSA-N 274.326 4.671 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccccc1-c1ccccc1 2122683165 CFRCSFJWWQRLDR-KDOFPFPSSA-N 252.357 4.599 30 10 CJEE C=CCCCC[C@H](NCCC)[C@@]1(C)C[C@H]1C(F)(F)F 2123079582 FGSMKBZJGHCQME-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1CCC[C@@H]1C(F)(F)F 2123085859 QDSVJOASAZFXOP-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C=CCCCC[C@H]1CCc2ccccc2[C@@H]1NCC 2123087105 YTTOTTOYRYCTBJ-FUHWJXTLSA-N 257.421 4.646 30 10 CJEE C=CCCCC[C@H](NC)[C@@H]1CCCC[C@H]1C(F)(F)F 2123088613 KXXWWVBGRVTWAM-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=C1CC(CC[C@]23CCC[C@@H]2C3)(CNC(C)(C)C)C1 2125642364 VWOUMIARFOVXFL-QAPCUYQASA-N 261.453 4.681 30 10 CJEE C=C1CC(C[C@@H](CCCCCCCCCC)NN)C1 2125712830 ACBSMMZYYJFGGT-QGZVFWFLSA-N 266.473 4.705 30 10 CJEE CO[C@H]1CCC[C@](C#N)(Cc2cccc(Cl)c2Cl)C1 2126414966 SAUNRVNRJKFRSL-WFASDCNBSA-N 298.213 4.635 30 10 CJEE CCCCCCCCCC[C@@]1(N)CO[C@@H](CCC)C1 2129129576 RYWKWFWXNDDQOJ-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CC[C@](C)(CCC=C(C)C)Oc1ccc(C#N)cc1 2130701145 CJRHYOMMWDKHQE-QGZVFWFLSA-N 257.377 4.852 30 10 CJEE CCCC1CCC([C@@](C)(O)CC#C[Si](C)(C)C)CC1 2130929426 DZHQCRODOAWEEP-JCYILVPMSA-N 280.528 4.615 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@@H]1C1CCCC1 2135316159 NVRGVXHYCSOQOO-KURKYZTESA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H](CC)O1 2136714378 ZLLBLQCFYYLSJM-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CCCCCC#CCC[C@H](CC1CCCC1)NCC 2138991420 TUNKKEACUAXQKV-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=C[C@](N)(CC1CC2(C1)CC1(CCC1)C2)C(C)(C)C 2139213414 CSCCWMUDEJCOHH-SFHVURJKSA-N 261.453 4.667 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CC(C)(C)C1(C)C 2140224917 QNRBPDOWTNYOST-CQSZACIVSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2C[C@@H](C)[C@H]2C1 2142391506 CNTRTDCZYVSNKM-FGTMMUONSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CO[C@H](CC)C1 2142451706 ZHAOKGBVKMXKLI-SJORKVTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](N)C1(P(C)(C)=O)CC1 2142452070 DBMRSLCVTSIDPJ-OAHLLOKOSA-N 285.412 4.776 30 10 CJEE CCCCCCCO[C@]1(C(=O)O)CCCC(C)(C)CC1 2145021790 YPGLHKZLFFLHTL-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CC[C@H]2C[C@H]1CO2 2145324115 XNUWIIWOLRKWDR-XSLAGTTESA-N 281.484 4.530 30 10 CJEE CCCN[C@@H](CC#CC1CC1)C1CCC(CCC)CC1 2146415626 JDSPAGRXOKSKHM-KVZIAJEVSA-N 275.480 4.765 30 10 CJEE CC1(C)C[C@H](Nc2cccc(CC#N)c2)CC2(CC2)C1 2146880923 KGXBWZBLKKYUQU-INIZCTEOSA-N 268.404 4.523 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1ccc2sccc2c1 2147624931 MZQKCQLNLQABFG-WBVHZDCISA-N 291.460 4.623 30 10 CJEE C=CCC[C@@](C)(O)[C@@H](CCCCCC(C)C)NCCC 2148619307 OAVODTPYXQOHNZ-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](O)[C@H](C)CCC 2148620830 SSOMFVQHYZPOBL-FGTMMUONSA-N 285.516 4.902 30 10 CJEE C=C[C@@](N)(CCC=Cc1ccccc1)c1ccccc1 2154648578 WBSCZSXIXFEOER-LJQANCHMSA-N 263.384 4.520 30 10 CJEE C[C@](N)(CC#CC1CCCCC1)[C@H]1CC2CCC1CC2 2154699598 CXDRHMPLGWUYAS-BTRQGYIVSA-N 273.464 4.504 30 10 CJEE CCCCCCCCCC[C@@]1(N)CCCOC12CCC2 2158528080 ISFPCJRAZWKZPK-QGZVFWFLSA-N 281.484 4.948 30 10 CJEE CC[C@H]1CCC[C@H](CNc2ccc(C#N)c(F)c2)CC1 2159450680 RGTZNWOFHRPGQV-KBPBESRZSA-N 274.383 4.716 30 10 CJEE CCC[C@@H]1CCC[C@H](N[C@@H]2CCCCC[C@H]2C#N)CC1 2159454150 YRMDRUDHXLUBIV-VSZNYVQBSA-N 276.468 4.797 30 10 CJEE CC[C@@H]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2C#N)CC1 2159517579 HSMNXMCKLOMQFW-XDNAFOTISA-N 276.468 4.655 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(OC)c(Cl)c1 2163372091 UKRRFBKWZIRBEG-HNNXBMFYSA-N 298.858 4.604 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1c(C)oc2ccccc12 2164257978 QAFMPGUFNMBSTD-UGSOOPFHSA-N 271.404 4.994 30 10 CJEE CCCCCCCCC[C@H](O)C1([C@H]2CCCCO2)CC1 2164399750 HSPHHRLGZDQMIM-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@@H]1CC12CCCC2 2165682215 NOCXWSHOWPNDGC-WBVHZDCISA-N 280.452 4.637 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CC3(CCC3)CO2)CC1 2166401887 LVLXWJQJRSDFFF-CGZBRXJRSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1CC2(CCC2)CO1 2166563428 DPVVSGIUYPKRPS-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE C#CC(C)(C)CC(=O)c1ccc(-c2ccccc2)cc1 2167589509 KNGNMQRSLLNSIF-UHFFFAOYSA-N 262.352 4.586 30 10 CJEE C[C@@H]([C@H]1CCCC(C)(C)C1)N(C)c1cccc(C#N)c1 2168524762 YKOLLIXEVKPRCC-HOCLYGCPSA-N 270.420 4.599 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@]2(O)CCCCCC2(C)C)C1 2168542072 RBPJVTXJAPGNTL-ZWKOTPCHSA-N 277.452 4.818 30 10 CJEE Cc1ccc(C#N)c(N(C)C[C@H]2CCCC(C)(C)C2)c1 2168551004 DMVSWUNATHPUIO-HNNXBMFYSA-N 270.420 4.519 30 10 CJEE CCCCN(C[C@@]1(C=O)CCCC(C)(C)C1)[C@@H](C)CC 2168552146 ASRMQEXEVJUKSF-FUHWJXTLSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@]1(C(=O)O)CCCCCC1=O 2168762122 DLXGLYBKAHZNIN-KRWDZBQOSA-N 282.424 4.731 30 10 CJEE CC1(C)CCC[C@@](C#N)(C2(O)CCCCCCCC2)C1 2168764810 YGIVFVQDVYPBAD-QGZVFWFLSA-N 277.452 4.962 30 10 CJEE CCCCCCCO[C@H]1CC2(CCCCC2)CC[C@H]1O 2171453691 YGCICHRZDYKZAR-SJORKVTESA-N 282.468 4.837 30 10 CJEE CSc1cccc(NC[C@@H]2CCC[C@H]2C(C)C)c1C#N 2176538526 HSXOLUCOQFDKPE-KBPBESRZSA-N 288.460 4.764 30 10 CJEE N#Cc1cc(F)c(N[C@@]23CCCC[C@H]2CCC3)cc1Cl 2177382978 HPHFITIDDJGPNY-BLLLJJGKSA-N 292.785 4.876 30 10 CJEE CCCCCCCC[C@@H](O)CC1Cc2ccccc2C1 2178381635 WWDGACKPADVSRI-LJQANCHMSA-N 274.448 4.903 30 10 CJEE C=CCCCCC(=O)[C@H](O)C1CCC(C(C)(C)C)CC1 2179680185 NUWHCDQGCVVRLK-VMBOVVBDSA-N 280.452 4.515 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ncoc2C2CC2)CC1 2181645859 WYILYVQDKYMTCJ-CYBMUJFWSA-N 273.376 4.507 30 10 CJEE C=C1CC(COc2ccc([C@H](C)NCCC)cc2Cl)C1 2182155087 ADVHXTZLJNBDBZ-ZDUSSCGKSA-N 293.838 4.746 30 10 CJEE C=C(C)CN(C(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2186472773 SENUTOHKQZTWOM-YESZJQIVSA-N 276.468 4.627 30 10 CJEE CC(C)(C)c1ccc(Oc2cc(Cl)ccc2C#N)nc1 2186487721 DNNTUMNOCGDGDD-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H]1CCC[C@@H]1C(C)C 2187469335 YKTQIRXMQQNOSO-KZNAEPCWSA-N 293.571 4.698 30 10 CJEE CCCCCCCCCCC[C@H](C[C@@H]1C[C@H]1OC)NC 2188195057 HXDKKKZHYBDOQZ-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCc1ccc(C#N)c(N[C@H](CC)C2CCCCC2)c1 2188845333 SGIFWYUUFVPMHL-QGZVFWFLSA-N 270.420 4.891 30 10 CJEE CC1(C)COCC[C@]1(C#N)C[C@]1(C)CCCCC1(F)F 2189794587 IGJXDBFYDLNYLO-LSDHHAIUSA-N 285.378 4.549 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1n[nH]cc1C 2190758524 XOVZWIXEXHUULB-INIZCTEOSA-N 279.472 4.900 30 10 CJEE CC(C)C1CCC(C#N)(CC23CCC(CC2)OC3)CC1 2192858610 IZAYTIMLNBRBRV-UHFFFAOYSA-N 275.436 4.692 30 10 CJEE CCCC1CCC(CN=C2N[C@H](C)[C@@H](C(C)C)S2)CC1 2192870411 ZDECJTHCEIULIB-PRLABOORSA-N 296.524 4.698 30 10 CJEE CC#CCCC[C@H](CSc1ccc(C)cc1)NCCC 2194064969 FDEOIFFLZYQODZ-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE CC#CCCC[C@@H](Cc1ccc(F)cc1Cl)NCCC 2194068503 VUWCJEMUQIWHLV-INIZCTEOSA-N 295.829 4.583 30 10 CJEE CC1(C)CCC[C@@]1(C#N)CC1CC2(C1)C(F)(F)C21CC1 2195065163 RVJSPAOUSURVPH-UGWHAMFMSA-N 279.374 4.922 30 10 CJEE N#C[C@@]1(CC2CC3(C2)C(F)(F)C32CC2)CCC12CCC2 2195066498 VQMDZZDJWKZBEE-UGWHAMFMSA-N 277.358 4.676 30 10 CJEE CCCCCCCCCCN1C[C@H]2CCCC[C@H]2C1=O 2195687871 NLGPHKWHWIQXLK-IAGOWNOFSA-N 279.468 4.776 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccc(CC(C)C)cc1 2196175350 XGNDNPGFAGZYNW-LJQANCHMSA-N 271.448 4.729 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1CCC[C@H]2C[C@H]12)NCC 2197139309 HHRHWZDWAFLIAE-VJANTYMQSA-N 269.432 4.504 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1cccc2ccccc12 2197153096 XGKFQRDKECLWAX-LJQANCHMSA-N 259.352 4.553 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(F)cc1COC 2206257997 FDMCCQVTVBJNFT-QGZVFWFLSA-N 282.399 4.756 30 10 CJEE C=CCCCCCCC(=O)[C@H](O)[C@H]1CCCC[C@H]1CC 2206895599 VZVLBEKGGNUJIA-SOLBZPMBSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@@H](N)C12CC(CC)(CO1)C2 2207397617 VCLSKEYJTQTIML-WWDZGPRUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@]1(O)CC[C@@H](C)C1 2207402557 CSLGCQPRXYHZRX-FGTMMUONSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](N)c1cc(C)nn1CC 2207404451 NQHHPDYNPMSBFO-INIZCTEOSA-N 277.456 4.518 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CC[C@H](CCN)C1 2207414696 POZADPAOCPYHRQ-QZTJIDSGSA-N 281.484 4.563 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CC1CC(=C2CC2)C1 2207454701 XLAGADODDSCFAR-QGZVFWFLSA-N 278.436 4.558 30 10 CJEE CCN[C@](C#N)(CSC[C@H](C)CC)C1CCCCCC1 2208122912 LOJRRRDMKXPTBJ-NVXWUHKLSA-N 296.524 4.608 30 10 CJEE C=C(CC)C[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2211959532 WWXGMLFSCOOQIL-CYBMUJFWSA-N 259.176 4.557 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCS[C@@H]1C 2214624846 WLIOZWCUGZGNPK-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(F)c(C)cc1Cl 2217604249 VBTFSNPVWSJDAE-BONVTDFDSA-N 269.791 4.650 30 10 CJEE C=CC1(C[C@H](NCC)c2scc(C)c2C)CCC1 2218832423 WWEQBQCQADZQGX-AWEZNQCLSA-N 263.450 4.762 30 10 CJEE Cc1cc(C(=O)C2=CCCCCC2)c(F)cc1Cl 2219257958 JXBSBNBCHIZDNZ-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H](C)CN[C@H]1C 2220375491 FTFOOTHYJODDQO-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE CCCCCCC[C@@H](C)Nc1cn(CC)nc1Cl 2223043861 OBQRBYMMDKORLP-GFCCVEGCSA-N 271.836 4.717 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225296662 XVKOCRLCUONFOK-IMRBUKKESA-N 268.347 4.518 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCCC12CC2 2225352836 PFFJHTRVTRPREQ-LHHMISFZSA-N 260.421 4.742 30 10 CJEE C=C1C[C@H]2CC(NCc3sc(C)cc3C)C[C@@H](C1)C2 2225931802 NVOJIWQEANFGHG-XYPWUTKMSA-N 275.461 4.589 30 10 CJEE C=CCCCCCCC[C@@]1(N)CC[C@H](P(C)(C)=O)C1 2227289128 YNIVRGFDIDKFCR-JKSUJKDBSA-N 285.412 4.776 30 10 CJEE C[C@H](NCCC#CC(C)(C)C)c1ccc(F)c(Cl)c1 2230506080 DOCBHWBXLCHZCP-LBPRGKRZSA-N 281.802 4.569 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2OC[C@@H]3CCC[C@H]23)CC1 2233396549 RQKOEGBASOSWEI-WHRQZHCMSA-N 275.436 4.692 30 10 CJEE C=CCCCCCCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 2233604796 LRNDIMURVSOSFI-GJZGRUSLSA-N 289.385 4.787 30 10 CJEE C[C@H]1CCC[C@H](CC2(C=O)CCC(C(C)(C)C)CC2)O1 2235170936 HHMPHXGNPUQISJ-UERKLNTKSA-N 280.452 4.756 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ncoc1C(F)(F)F 2235520959 FBFZDSSURWYBMF-LLVKDONJSA-N 290.329 4.610 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(OC)c(C)c1 2235531814 DHXUMTWOYQZVGU-QGZVFWFLSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)[C@@H](CC)C(C)C 2235540828 BEWNIPMDNICNGL-BZSNNMDCSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CCCC[C@H]1CC 2235542042 NYYPGWUFMXRJIV-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE CCCCCCCCOC[C@H]1CC[C@@H]1CNC1CCC1 2237252967 KBQRPQJRKPNOHX-IAGOWNOFSA-N 281.484 4.532 30 10 CJEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(F)cc2C#N)c1 2238016519 VXBMZEHLIQXGJR-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=C[C@H](CCCCC)OC[C@H]1CC[C@@H](CNCCC)C1 2239487200 NSYUBCLVZAOBDN-FGTMMUONSA-N 281.484 4.554 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CCC)(C(=O)O)C1CCC1 2239499640 BJOAYWLVGCUGCM-NVXWUHKLSA-N 282.424 4.562 30 10 CJEE CCCCCCCCCO[C@@](CCC)(C(=O)O)C1CC1 2239514689 CFISBQKCMYKXSV-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)[C@@H]1CC1(C)C 2239554577 LYWMXDIMYSORQR-DLBZAZTESA-N 283.500 4.907 30 10 CJEE C=CCCCCOc1cccc(Cl)c1CN[C@H](C)CC 2240221657 SJPAAFLYZNRATE-CQSZACIVSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@@H]1CCCC[C@H]1F 2240636706 AAISPVYMVRPGSM-INMHGKMJSA-N 286.431 4.585 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)O)cc1C 2240836107 GVINNOJOWYCWNG-INIZCTEOSA-N 277.452 4.845 30 10 CJEE C=CCCCC[C@@H](CCN(C)CCCCC)NCCC 2240888692 UCKARBLZILYHMH-SFHVURJKSA-N 282.516 4.613 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@@H](CS)C(C)(C)C)C1 2243691303 FPKAFTJKSOUYDO-JHJVBQTASA-N 260.512 4.748 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(Cl)cc1CC 2248365889 PZAKNIFZYIAKFC-OAHLLOKOSA-N 251.801 4.519 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1ccc(Br)c(F)c1 2250024771 FFSSAOUBGPXHSU-JBLDHEPKSA-N 298.199 4.878 30 10 CJEE C[C@H]1CC[C@H](COCCCCCCCS)CC1 2252619777 XPGSKVUIFOZFOF-SHTZXODSSA-N 258.471 4.710 30 10 CJEE CCC(C)(C)[C@@H](C)N(C)CCCCCCCS 2252649197 KIRBMBZLDQMOEE-CQSZACIVSA-N 259.503 4.623 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@]2(C=O)CCC(F)(F)C2)C1 2253994558 FPNMMDZQNMBYSF-MCIONIFRSA-N 258.352 4.597 30 10 CJEE Cc1ccc(OCC=CC#CC(C)(C)C)c(Cl)c1 2256682088 UWQOBNQVNOAVEN-UHFFFAOYSA-N 262.780 4.633 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)CCCCO1 2259621837 PAEGIUYHSQVRKZ-JKSUJKDBSA-N 251.414 4.692 30 10 CJEE CC#CCCCCNCC[C@H](C)CCCC(C)C 2259679642 WBGDXFIYKLGWST-QGZVFWFLSA-N 251.458 4.622 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl 2260240861 QJTYIOPEOPTHCH-VHSXEESVSA-N 290.209 4.995 30 10 CJEE CCCCN(CCCCCCCS)CC(F)(F)F 2263204896 BFIZBZNDSJECKW-UHFFFAOYSA-N 285.419 4.531 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)C[C@H]1CC1(C)C 2265183495 OZRNPUBTGFGLJN-DNVCBOLYSA-N 285.497 4.996 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](N)CC=CC#CC(C)(C)C)CC1 2268822560 HZWFQEOXKTVXLS-IKGGRYGDSA-N 261.453 4.526 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](S[C@@H]2C[C@@H]3C[C@@H]3C2)C1 2270231468 LGVTWHHZNQCRTD-RDGWLKQMSA-N 277.477 4.873 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCCCC1(C)C 2271626904 UQVNFAYGOGKATN-PBHICJAKSA-N 265.441 4.938 30 10 CJEE SCC1(CO[C@H]2CCCC23CCC3)CCCCCC1 2272030896 BTQQLXRBZADBCW-HNNXBMFYSA-N 282.493 4.996 30 10 CJEE C#CCN(CC[C@H](C)CCCC(C)C)C1CCCC1 2272311228 OVRVVLDFJTXZHA-QGZVFWFLSA-N 263.469 4.717 30 10 CJEE CCC1(CC)CCC(O)(C#CC2CCCCC2)CC1 2273907461 KRTOVAXHOKXVEZ-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE CCCCCCCC[C@H](OCCCN)C(C)=C(C)C 2276177881 CGAOWLSGFUFJSR-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H](CC)CCC 2276603317 UNHBKDYZWROUHO-SJORKVTESA-N 271.489 4.907 30 10 CJEE CC(C)C[C@](C#N)(CSCC1=CCCCC1)NC(C)C 2281266654 PZMNJNLXSWNEQF-KRWDZBQOSA-N 294.508 4.526 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(OC)c1Cl 2283317207 LEQIXNKTKXVEDJ-SUMWQHHRSA-N 295.854 4.992 30 10 CJEE CCCCCCC[C@H](NCC)c1cnc(C)n1C(F)F 2284794456 VXHVVCRVDMOGED-ZDUSSCGKSA-N 287.398 4.598 30 10 CJEE C=C(C)CCCC[C@@H](N)Cc1ccc(C(F)(F)F)cc1 2287408698 LEPZKKMBIWSVON-OAHLLOKOSA-N 285.353 4.712 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F 2287464598 AKLNVGBDIUDKIL-MRVPVSSYSA-N 294.263 4.552 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC[C@@]2(C1)CC2(F)F 2287466746 IYZJSFFZKMZHHW-OWCLPIDISA-N 285.422 4.927 30 10 CJEE CC(C)CCC[C@H](C)CCN1CCCC(C)(C)[C@@H]1C#N 2287964160 HLFMVHAWSAGLDI-IRXDYDNUSA-N 278.484 4.853 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]12C[C@@H](CO1)C2(C)C 2289227900 BVALDDURFYNFKO-XYJFISCASA-N 281.484 4.530 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC[C@H]1CC1(C)C 2289694696 XRSXUBJYTISXHL-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC1(OCCC(=O)O)CCCCC1 2291588039 SYJHSIWSEPPRDD-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)C(C)(C)C(C)C 2291663461 MIZXWVJLUARGSJ-OAHLLOKOSA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1csc(CC)c1 2291978471 VFNXSNBJMNXEIX-OAHLLOKOSA-N 298.448 4.813 30 10 CJEE C=CCC[C@@](C)(CC[C@H](C)CCCC(C)C)OCCN 2292790288 CEYFYFFKGGMPAK-MSOLQXFVSA-N 283.500 4.929 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)c1sccc1C 2292896331 UGHUUZGJYALANL-QGZVFWFLSA-N 295.492 4.774 30 10 CJEE C=CCCCC[C@](C)(OCCCN)[C@@H]1CCC[C@@H](C)C1 2293290810 BFFOJHFMMDNIHN-KURKYZTESA-N 281.484 4.683 30 10 CJEE C#CCCCC[C@@H](CCCCCCCC)OCCCN 2293342767 PEJAJKPLRDOBFW-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1CCC2(CC2)C1 2293367755 GPRHDILEVNKKCR-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)[C@@H]1C[C@H]1C 2293995742 YKLNQEQUEJNRRX-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCc1ccc(CN(C)CCCCCCCS)cc1 2294772830 IVJMAKKXISSLAT-UHFFFAOYSA-N 293.520 4.951 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cn(CCC)cn1 2295592268 OZDMPAHEBQAQSK-KRWDZBQOSA-N 280.456 4.641 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NCC)C(C)(C)C 2295677761 DNZDQOQSVGKRJS-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](C=C1CCC1)NC 2295683353 ALCGFKBWQCJMBD-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CC[C@H](C)S[C@@H](CC)[C@H](CCC)NCCC 2298817881 WPWLWCHYAMLRHA-KKUMJFAQSA-N 257.487 4.631 30 10 CJEE C=CCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2299035925 SPCCGAGVAPDUMJ-LBPRGKRZSA-N 276.182 4.749 30 10 CJEE CCCN[C@H](C#CC1CC1)c1cc(Cl)sc1Cl 2300350851 GBIWNFQRKPSYQQ-LLVKDONJSA-N 288.243 4.509 30 10 CJEE C=CCCCC(=O)Cc1cc(F)c(Cl)cc1Cl 2306197565 QMVRQWNNTJAFRP-UHFFFAOYSA-N 275.150 4.600 30 10 CJEE C=C1CC(C[C@H](O)c2cc(F)c(Cl)cc2Cl)C1 2306250404 AKUMRDSMYFFUJX-ZDUSSCGKSA-N 275.150 4.522 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1C[C@@H](N)CC 2313530907 CLUVHRBTVVELAJ-FZMZJTMJSA-N 283.868 4.677 30 10 CJEE C=CC[C@H](C)Sc1ccccc1[C@@H](CC)NCC 2313693334 WLFNKRYGXKZGKO-DZGCQCFKSA-N 263.450 4.804 30 10 CJEE CCCCCCC[C@@H]1Nc2cc(C)c(F)cc2O1 2315339626 WXJOKCTVPDWABS-OAHLLOKOSA-N 251.345 4.625 30 10 CJEE C=C1CC([C@@H](NCCC)c2ccc(CCC)s2)C1 2316110012 WBFOFMCWVRXHTB-MRXNPFEDSA-N 263.450 4.708 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2321103247 XXVVSZDPTKCNTL-LKFCYVNXSA-N 290.209 4.995 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCC1CC1)NCCC 2321147024 DHYWDJFUQPYHGM-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CC1C[C@@H](C)C[C@H](C)C1)NCC 2321147602 IZYJQYXUYMKWPC-JKQORVJESA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)S[C@](C)(CCC(C)C)C(=O)O 2327048218 YZSYOSSUMOMZDE-OAHLLOKOSA-N 270.438 4.520 30 10 CJEE CSc1ccccc1OC[C@@](C)(CS)C(C)(C)C 2327164516 AJCGROQSNJFWKT-HNNXBMFYSA-N 284.490 4.770 30 10 CJEE Cc1cc(Cl)c([C@@H](O)CC#CC(C)(C)C)c(Cl)c1 2327893358 GLIGSULZACSXRF-ZDUSSCGKSA-N 285.214 4.775 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCO[C@@H]1C)NCCC 2330829091 XHMJTBKCQFPPFF-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2334662214 XYYGBNKITIKOQM-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC2(CCCCC2)[C@@H]1NC 2335195055 UMFFFUDOBWRKOJ-HRCADAONSA-N 281.509 4.775 30 10 CJEE CCN[C@@H](C#Cc1cccs1)C[C@@H](CC)C(C)(C)C 2338251624 CBXZVIJHFZSWHB-CABCVRRESA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCCC(C)(C)CC1 2338725845 VRSSEXWILZKNJV-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE CCCCCCCCOc1ccc(N)c(C(F)F)c1 2339091047 XZTKTZRXHDDEOS-UHFFFAOYSA-N 271.351 4.946 30 10 CJEE CCSc1cccc(N[C@@H](C)[C@@H](C)C(C)C)c1C#N 2339945762 ZQKFDPJSBLNQJU-STQMWFEESA-N 276.449 4.763 30 10 CJEE CCCCCCCCCCOC[C@@H](O)[C@H]1CC1(C)C 2340942346 IIHAXYRCEHAHQF-HZPDHXFCSA-N 270.457 4.551 30 10 CJEE CN(CCCCCCCS)CC[C@@H]1CC[C@@H]1C1CC1 2342392087 FOFJIYZPQSLNGP-DLBZAZTESA-N 283.525 4.625 30 10 CJEE C=CCC[C@H](O)C[C@@H](c1ccccc1)C1CCCC1 2342543846 CKBZHLNEPDYREZ-ROUUACIJSA-N 258.405 4.678 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cccc(C2CCC2)c1 2343809894 XCRKKZYARVHZQC-KBXCAEBGSA-N 253.389 4.827 30 10 CJEE CCC[C@](C)(C#N)CCCCc1ccc(OC)cc1 2344050830 YDKAXGVDADIQMF-KRWDZBQOSA-N 259.393 4.738 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)C1CC(C(F)(F)F)C1 2344346694 VIFINOTZPKCTLS-CLRIEMFWSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)C(=C)c1ccccc1 2344358431 VDJHKTWVGFZHEV-KRWDZBQOSA-N 257.421 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1C2(CC2)C12CC2)NCC 2344376867 RIDPDTZHBXYADQ-JKSUJKDBSA-N 261.453 4.537 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1nc(C(F)(F)F)c(C)s1 2344420991 OVXRFVORRSAESN-GFCCVEGCSA-N 291.338 4.645 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1C2(CCC2)C12CCC2 2344472921 FOOLPKXDOJFSNZ-JKSUJKDBSA-N 262.437 4.700 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccoc1C)C(=O)O 2351824558 KSXIIOVRCNDNOK-OAHLLOKOSA-N 284.421 4.884 30 10 CJEE CCC[C@](C)(C#N)Cc1cccc(CC(F)(F)F)c1 2353118941 CWIMXZOITROVAN-AWEZNQCLSA-N 269.310 4.664 30 10 CJEE CCCCCCC[C@](C)(N[C@H](C)c1ccsc1)C(=O)O 2353869439 HZDOFWYBGMAVQI-CJNGLKHVSA-N 297.464 4.603 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@H]1CC)NCC 2358323580 QMYSZZMYBNSSLG-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE O[C@@H](CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359891368 KVKBWTKCMAATMT-OKYOBFRVSA-N 274.448 4.538 30 10 CJEE O=C1C(=C2SCCS2)CCC/C1=C/c1ccccc1 3351231 LBSWEXZHTBWTPR-QBFSEMIESA-N 288.437 4.515 30 10 CJEE C[C@@H]1CCCC[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 36805605 XTWCROADVZUNCX-QMTHXVAHSA-N 283.293 4.535 30 10 CJEE C[C@H]1CCC[C@@H](C)C1Nc1ccc(C(C)(C)C#N)cc1 36922204 HAFMGIGSPLUOFF-VMZNBEPHSA-N 270.420 4.724 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 36973648 KARKEBMDBCXUMB-NSHDSACASA-N 284.325 4.814 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1ccc(C#N)cc1 37428998 JABNSDXIVUGNLN-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc2cnccc12 52859627 AXTIMSQHDOLAFN-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OCC#N)cc1 59090138 NNVINUZJJDCCJO-HNNXBMFYSA-N 274.408 4.750 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(CC)cc1 59526201 PTKNUNSBWUNZEQ-OAHLLOKOSA-N 276.420 4.807 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)[C@H](C)C1 70115199 VBRUVFZFJYKCMB-JTNHKYCSSA-N 296.336 4.814 30 10 CJEE Cc1cccc2nc(C(F)(F)F)c(CCC#N)c(Cl)c12 75894070 MUFQXKSMEJIESB-UHFFFAOYSA-N 298.695 4.672 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cc(Br)cs2)C1 83776190 KSWKVVAQIDGBTO-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CC(C)CC1(CN[C@@H](C)c2ccc(C#N)cc2)CCCC1 94873589 OTMBFIQBJWKYFB-INIZCTEOSA-N 284.447 4.815 30 10 CJEE CC(C)CC1(CN[C@H]2CCCCC[C@@H]2C#N)CCCC1 94878626 GFISPFQRLAFKFW-SJORKVTESA-N 276.468 4.655 30 10 CJEE SCCCCCCCCCOCCOc1ccccc1 97799697 BKHOZORRYIXQBP-UHFFFAOYSA-N 296.476 4.743 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1Cl 104184797 BRIONZVRHVSZHI-OCCSQVGLSA-N 263.768 4.559 30 10 CJEE CCCCCCCNCc1ccc(Br)s1 105807338 OYWNFCYQEQODKK-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE Cc1cccc(CC[C@@H](C)Nc2cc(Cl)ccc2C#N)c1 109788073 OPECWNPEEPQQMO-CQSZACIVSA-N 298.817 4.953 30 10 CJEE C[C@@H](CCNc1cc(Cl)ccc1C#N)c1ccccc1 109788098 JTYQRYPLRMHRLV-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE CCCCCCCCO[C@H](c1ccc(F)cc1)[C@@H](C)N 109988694 JTMDCAOODWRDPA-PBHICJAKSA-N 281.415 4.591 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CCC[C@H](C)C1 110020000 LWCBDSVBEPJESY-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCO[C@H](CC)[C@H](CCC)NCC 110081381 NHSFETMUWIBEPQ-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCCN(CC)C(C)(C)CN 110107639 IXMFSTGXOPNXDD-UHFFFAOYSA-N 284.532 4.967 30 10 CJEE CCCCCCCCCCCCNCc1cnc(C)cn1 110169295 VKCPCFHJVYZUDV-UHFFFAOYSA-N 291.483 4.796 30 10 CJEE CCCCC[C@H](C)Nc1ccc(Cl)cc1C#N 110255452 ATSYYFBKFRAPPD-NSHDSACASA-N 250.773 4.592 30 10 CJEE CC[C@@H](Nc1cc(C)ccc1C#N)C1CCCCC1 110258195 QUTHPDAKCKXQET-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCCCCCCCSc1nc2ccc(N)cc2o1 111235902 NZUXWPDZFRWYGU-UHFFFAOYSA-N 278.421 4.863 30 10 CJEE CCCCCCC[C@H](N)c1cccc(Cl)c1F 113538558 WDPZLNGXJXFPIB-ZDUSSCGKSA-N 257.780 4.839 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@H]1CCC 114060537 QQMQIHIHAKXTTH-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC(=O)NC1(C#N)CCC(C)CC1 115857453 RGGNUELYPJXTJF-UHFFFAOYSA-N 292.467 4.716 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(F)c(C#N)c1 115857510 CHRCANNTTVWRBO-UHFFFAOYSA-N 290.382 4.777 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cc(OC)ccc1C#N 130504815 AHCJOUYZLQZKHH-ZDUSSCGKSA-N 281.355 4.873 30 10 CJEE C#CC[C@H](CC)NC(=O)CCCCCCCCCCC 130848487 VORPRZFZDQOGEZ-KRWDZBQOSA-N 279.468 4.825 30 10 CJEE Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(C#N)s2)c1 134908558 UVXWYJNACCJUAO-KGLIPLIRSA-N 284.428 4.648 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H](C)COC 135559650 BXYBUFIUAYROJT-JKSUJKDBSA-N 258.446 4.551 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 158337119 YXQADHZTGPSZKE-UEKVPHQBSA-N 296.336 4.814 30 10 CJEE CC[C@H]1CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 164097741 BZOPGTKZXMZSPC-IINYFYTJSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@H]1CC(=O)c2ccc(F)cc2O1 165500958 HYJDAXBOFKRFOL-ZDUSSCGKSA-N 264.340 4.520 30 10 CJEE CC(C)CC(O)(CC(C)C)C1(C#N)CCC(C)CC1 165723501 SWZWALUOGONDFJ-UHFFFAOYSA-N 265.441 4.530 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(C(C)(C)C)cc1 167787088 PPHIPUAAYPEDTF-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)C 169074414 BYKKWLWBDOWGKV-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)c2ccc(Cl)cc2)C1 218231710 MQGRFAXZLNLCQW-COXVUDFISA-N 291.822 4.658 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H](C)c1cccc(Cl)c1 221053978 JNZBQLAAAGMIGI-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CC(C)CC[C@@H](C)Nc1cc(Br)cc(C#N)c1 227618999 JPCMJOIGNIGYLP-LLVKDONJSA-N 295.224 4.557 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 228422404 CXSCONZMANRNJA-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE Cc1cc2c(o1)CC(C)(C)C[C@H]2NCC(C)(C)CCC#N 229686528 RHJCVJRWOKLRCY-OAHLLOKOSA-N 288.435 4.521 30 10 CJEE C=C(CC)CC(=O)c1cc(Cl)ccc1Br 232817934 HTGRPGQIPSHPAK-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCCCC[C@H](NCC)c1nccs1 232919479 IVVLZTNGLIEKNM-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(C)c1)NCC 233537837 DTXYZSOHMSYBDG-SFHVURJKSA-N 259.437 4.652 30 10 CJEE Cc1cc(SCc2ccccc2Cl)c(C#N)c(C)n1 235839951 RWSANMPISYWRLB-UHFFFAOYSA-N 288.803 4.516 30 10 CJEE Cc1ccc(SCc2ccccc2Cl)c(C#N)c1 235872411 JKEYVBIKGFDPAK-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE O=C(C=C1CCCCC1)c1ccccc1C(F)(F)F 236111527 UHBMYFHJEYKTPR-UHFFFAOYSA-N 268.278 4.779 30 10 CJEE C=CCCCCCC(=O)c1ccc(OC(F)(F)F)cc1 236116735 DDGWUMZKQZNTHT-UHFFFAOYSA-N 286.293 4.904 30 10 CJEE C=CCNC(=S)Nc1ccc(N=Nc2ccccc2)cc1 254301572 UNRJUZGYVWZSER-UHFFFAOYSA-N 296.399 4.574 30 10 CJEE CC(C)(CC#N)c1ccc(OCc2ccccc2)c(F)c1 260472968 WLTCPIUFMAYXGZ-UHFFFAOYSA-N 283.346 4.596 30 10 CJEE N#CC[C@H]1CCc2cccc(F)c2C12CCCCC2 260528266 IXGWRNIPERPSGD-CQSZACIVSA-N 257.352 4.504 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc(Cl)sc1Cl 305894689 BIKAHTQTFVWWIP-JTQLQIEISA-N 290.259 4.755 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccsn1 312036319 PBZOJDTVQFOEGL-CQSZACIVSA-N 268.470 4.934 30 10 CJEE CCCCCCCCCCNOCCC(F)(F)F 314757661 NLOGSEKMAJOTEQ-UHFFFAOYSA-N 269.351 4.601 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2csc3ccccc23)C1 317690383 JHLXVNYAWAYZQO-CXAGYDPISA-N 272.413 4.839 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cc(C)cc(C)n1 383378239 RZPLMJOVXOEGIT-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(Br)cs1 384735653 CAFXQJKQJTYNGZ-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(F)cc1C 386497025 ZRVQDLPNIUIIFN-MRXNPFEDSA-N 251.389 4.803 30 10 CJEE C=CC(C)(C)COCc1cccc(CNCCC)c1Cl 386654793 LILRSPHPHTXVEG-UHFFFAOYSA-N 295.854 4.568 30 10 CJEE C=C(COCCC)[C@@H](NCCC)C1CCC(C)(C)CC1 387594510 UJTZABVARIGADQ-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)CC1 393431226 OVZXSDSCXWUHJO-WHRQZHCMSA-N 275.436 4.834 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@@H](CC(C)(C)C)CS1 393503212 UGXCMMRLQUEPOE-KBPBESRZSA-N 284.513 4.843 30 10 CJEE CCCCCCCCCC[C@H](O)C1CC(F)(F)C1 394803955 NNKKQHXPRIFHCO-AWEZNQCLSA-N 262.384 4.923 30 10 CJEE C=CCCC[C@@H](C)n1c(=S)[nH]c2cc(F)c(OC)cc21 398283751 RJWBVCSZLGRVAT-SNVBAGLBSA-N 294.395 4.764 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cncnc1C 398407913 BJJGOIRWMOLNEO-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)C1CC1 399442888 WTZBEXKFSDALAB-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE CCCCCCCCC(=O)CCCCCCCN 403345495 HDVDNFJPIHHNCT-UHFFFAOYSA-N 255.446 4.605 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](C)OCc1ccccc1 404468432 YEXTZSFNPZAGBB-SJLPKXTDSA-N 277.452 4.540 30 10 CJEE CC(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2F)cc1 512620251 PKNZITSGXVUAAY-AWEZNQCLSA-N 296.389 4.672 30 10 CJEE CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C=C[C]2C 605697949 XXIQVYXOUMIGJK-MFKWGIFDSA-N 283.435 4.889 30 10 CJEE Cc1cc(C)c(C)c(C(=O)/C=C\c2ccccc2)c1C 642882763 JOGIPYKSMRHSHN-KHPPLWFESA-N 264.368 4.816 30 10 CJEE C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C 675083731 LLIIIKMGXORJDH-XGXHKTLJSA-N 286.459 4.866 30 10 CJEE C#CCCCCC[C@@]1(O)CCCCC[C@H]1C(C)C 686682151 ZOIMBBHTLSNOFD-DLBZAZTESA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)ccc1F 686690786 BDJWCPSPUGTAOJ-GOSISDBHSA-N 275.411 4.759 30 10 CJEE CSc1cccc(CNc2ccc(C#N)cc2Cl)c1 686951370 JTTVVYXRSDRJPC-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE CCSc1cccc(Nc2cc(F)cc(C#N)c2)c1 690128753 FVDUODJHVLWNTM-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]12CCC[C@@H]1C2 693201174 AXNHGAYILFEDDC-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CCCC(C#N)(CCC)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698452847 SBXOOZSCYUIAEX-AWEZNQCLSA-N 296.455 4.885 30 10 CJEE CC1(C)CCN(CC2(CS)CCCC2)CC(C)(C)C1 699666368 SASQDNIRZSWTFB-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE Cc1ccc(CSc2nc3ccccc3s2)cc1C#N 701843925 BOAVOMVYPIRQCL-UHFFFAOYSA-N 296.420 4.769 30 10 CJEE CCCCCCCn1c(S)nc2c(C)cccc21 703726937 KFPREPKFFHRJCN-UHFFFAOYSA-N 262.422 4.604 30 10 CJEE C[C@@H](CC(C)(C)C#N)N1CCC[C@@H](C2CCCCC2)C1 708235788 JBMODFWNGUTBED-DOTOQJQBSA-N 276.468 4.607 30 10 CJEE N#Cc1ccc(N[C@H]2CCCC[C@H]2C2CC2)c(Cl)c1 710177423 AXNCOTOXKRRGLT-ZFWWWQNUSA-N 274.795 4.592 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N/[C@H](C)CC3CCCC3)N2)C1 712596821 KDQIACCJSAOSBK-CKEIUWERSA-N 294.508 4.597 30 10 CJEE Fc1cccc(N=C2NC3(CCCCCCC3)CS2)c1 713193838 KEXHFXKUZIEIFN-UHFFFAOYSA-N 292.423 4.633 30 10 CJEE Cc1ccc(N=C2NC3(CCCCCC3)CS2)cc1F 713209338 TYUJTNVGIDHFMW-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 715705478 NOMMKMJEJFBGNB-WQQUDBQHSA-N 275.480 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C(F)(F)F)c1 715718163 FSVCQNLBWZCLFD-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=CC[C@H](C)[C@H](CSc1cccc(C)c1)NCCC 715718640 HUWDJLZFJJKRHG-RDJZCZTQSA-N 277.477 4.668 30 10 CJEE C=CC[C@H](C)C[C@H](CNCC(C)C)c1ccccc1 715793006 GAWWPQHNQPZFCP-FUHWJXTLSA-N 259.437 4.618 30 10 CJEE CCCCCCC[C@H](O)CCCOCc1ccccc1 719422211 ARIWEBJXOIWMHV-SFHVURJKSA-N 278.436 4.705 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCC2)C2CC2)c(Cl)c1 723852991 PVMCHDHCHKYNNT-INIZCTEOSA-N 274.795 4.592 30 10 CJEE CCCCCCCCCCNCc1ncc(C)cc1C 724063175 YPLLQGDLCBWNPC-UHFFFAOYSA-N 276.468 4.929 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)c(F)c(C)c2)CC1 724608485 WHYBXJDVRGDVNQ-KRWDZBQOSA-N 275.411 4.840 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCCc2nc(C)sc21 774477162 KIQVAUDOJNHMMV-JSGCOSHPSA-N 278.465 4.553 30 10 CJEE C=CCCC[C@@H](NCc1coc(C2CC2)n1)c1ccccc1 880389893 KQPUISRFCBBCJO-GOSISDBHSA-N 296.414 4.739 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCC=CCCC1)c1ccccc1 1127301956 OURBKMMSMDGSCX-OALUTQOASA-N 297.442 4.947 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc2ccccc2c1 1127430286 UCXOMAYTWWZWKN-HOTGVXAUSA-N 295.426 4.804 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(CCC)cc1)c1ccccc1 1130934028 AYIHFBVRIGZIQZ-GOSISDBHSA-N 280.367 4.723 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@@H](C)C[C@@H](C)C1)c1ccccc1 1133686547 IWVBRCSKFMVBBG-ZHALLVOQSA-N 299.458 4.631 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H]1CCO[C@H](C(C)C)C1 1205882161 JJSNDZUCSFTYJW-KSZLIROESA-N 281.484 4.552 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(C(F)(F)F)cc2F)C1 1242315611 PNFROKLZXRFWSA-UHFFFAOYSA-N 286.268 4.617 30 10 CJEE C=CCCCN[C@H](c1oc2ccccc2c1C)C(C)C 1307635104 NXWRYAAOQFIPRX-KRWDZBQOSA-N 271.404 4.994 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](COC)c1ccc(Cl)cc1 1308725822 VMLRZMWXWRBNKG-IRXDYDNUSA-N 295.854 4.752 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(C(F)F)cc1 1436591303 GGOIWEAWLHUFLS-UHFFFAOYSA-N 295.373 4.881 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccccc1 1437642638 UIGYFXLCJSHHOP-DIECFANBSA-N 272.388 4.529 30 10 CJEE C#CC[C@H]1CCCN([C@H](C)c2ccc(C(F)(F)F)cc2)C1 1460291572 YFTLBXWNJCVRFU-KGLIPLIRSA-N 295.348 4.502 30 10 CJEE C=CCCc1ccccc1NCc1ccc(Cl)o1 1461457952 CRWGOFRRGISZBI-UHFFFAOYSA-N 261.752 4.664 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C(C)C)C(F)(F)F 1462119072 GLFDTSJLTQFJGF-STQMWFEESA-N 267.379 4.912 30 10 CJEE C=CCCCCCN1CC[C@](F)(c2ccccc2C)C1 1473422072 XFJRREHIPKTHCX-GOSISDBHSA-N 275.411 4.612 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(OCCC)c1 1473638185 REYSOINQQZSCLI-PKOBYXMFSA-N 287.447 4.700 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1521298636 IYNLGRYKXPATFZ-GOSISDBHSA-N 299.458 4.906 30 10 CJEE C=CCC(C)(C)C(=O)O[C@H](C)c1cccc(OC(C)C)c1 1522268446 FVWZHAOYPWQPBC-CQSZACIVSA-N 290.403 4.680 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1coc2cc(C)c(C)cc12 1531441396 MTUXSQIFGROESW-UHFFFAOYSA-N 299.414 4.772 30 10 CJEE C=CC[C@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)c1ccccc1 1531447840 FRASFMKPBQXORL-SCTDSRPQSA-N 299.458 4.679 30 10 CJEE C=CCCC(C)(C)NC(=O)CCc1ccc2ccccc2c1 1533811367 UGTAVCKEPHGTKN-UHFFFAOYSA-N 295.426 4.633 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CC[C@H](CC)CC2)c1 1537414871 WYYLWFGGFNUNKP-SHTZXODSSA-N 271.404 4.875 30 10 CJEE C#Cc1ccc(NC(=O)C(C)(C)CCCCC)c(Cl)c1 1539131439 QQUZKAVNLQSVQJ-UHFFFAOYSA-N 291.822 4.866 30 10 CJEE C=CC[C@@H](CC)NC(=O)CC1CCC(c2ccccc2)CC1 1540090640 DZSPYBKKEDFVPW-NKELODKYSA-N 299.458 4.821 30 10 CJEE C=CCC[C@@H](NCc1ncccc1Cl)c1ccccc1 1559695828 JBOITQDYXHXQLC-MRXNPFEDSA-N 286.806 4.532 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 1564726635 DMNSIJBUIHRGRE-IKGGRYGDSA-N 294.483 4.637 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@](C)(CC)CCC 1584864083 POKQRFQWJDLDNG-MJGOQNOKSA-N 287.447 4.506 30 10 CJEE C=CCCCCCN(C)Cc1c(Cl)cncc1Cl 1615600471 KLPGAJNZVHQFIZ-UHFFFAOYSA-N 287.234 4.567 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1csc2ccccc12 1617459168 XNEVZAROLIJFNT-CZUORRHYSA-N 299.439 4.766 30 10 CJEE CCCCCCCCCN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 1618209968 ZSNXLOUYQFBPEH-XLAORIBOSA-N 263.469 4.715 30 10 CJEE C=CC[C@@H](C(=O)N1CC(C)(C)CC(C)(C)C1)c1ccccc1 1624686431 WHSFASXCTARYJU-QGZVFWFLSA-N 299.458 4.631 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@H]1CCCCC1(C)C 1627249692 RSNHWEWNKKJNFP-CVEARBPZSA-N 277.452 4.550 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC12CCCC2)c1ccccc1 1640858917 YWBAXZJSUMLOCF-SFHVURJKSA-N 297.442 4.672 30 10 CJEE C=CCC1(NC[C@H](OC(C)C)c2ccccc2)CCCC1 1647774748 ORDWPDAKTVRVOA-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C=CCC[C@H](C)Nc1cnn(-c2cc(C)ccc2C)c1C 1652022700 YEYBJHNXEKQGDP-HNNXBMFYSA-N 283.419 4.564 30 10 CJEE C#C[C@@H](N[C@H](CC)CCCC)c1ccc(Cl)cc1 1652580646 POGAYLYCUXGJEL-HZPDHXFCSA-N 263.812 4.573 30 10 CJEE Cc1ccc2ncc(C#N)c(OC[C@H]3CCCC[C@H]3C)c2c1 1652855540 DYNAWFDJNBVRPH-HUUCEWRRSA-N 294.398 4.620 30 10 CJEE C=C(C)CN(Cc1ccccc1F)c1ccc(F)cc1 1657664622 CRFQNLHUFIRTCQ-UHFFFAOYSA-N 273.326 4.548 30 10 CJEE C=CCCC1(CNCCc2ccc(C)cc2)CCCC1 1658542171 LIRAQUKMVVAQTI-UHFFFAOYSA-N 271.448 4.654 30 10 CJEE C=CC[C@@H]1N(Cc2ncc(C(C)C)s2)CCCC1(C)C 1659031808 AFSNCQIJRMFULK-HNNXBMFYSA-N 292.492 4.833 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCO[C@H](C(C)(C)C)C1 1659571831 IVYQMVSZJSDKSY-AEFFLSMTSA-N 287.447 4.811 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H](O)c1cccc2ccccc12 1659632747 CMIGVKRPBTWMLH-OXQOHEQNSA-N 297.442 4.598 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1659867792 HAMLEQVNVWSIFD-ZDUSSCGKSA-N 299.380 4.828 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2c3ccccc3CC[C@@H]2C)C1 1664013324 XDHYZNYLNZUYMX-JHDROBOHSA-N 269.432 4.644 30 10 CJEE C=CCN(C)Cc1ccc(-c2ccc(Cl)cc2)cc1 1664385021 VIHTXPIOKYKSSK-UHFFFAOYSA-N 271.791 4.625 30 10 CJEE C#C[C@@H](N[C@@H](C)CCCCC)c1ccc(Cl)cc1F 1664685946 IRHKVXPQAKANHN-BLLLJJGKSA-N 281.802 4.712 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)C(C)(C)C(F)(F)F 1878360441 SZAKWWLZRKZSDJ-MRVPVSSYSA-N 290.716 4.601 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C#N)CCCCC2=O)CC1 1878372530 UTLXTPRGKLZCCD-ZOBUZTSGSA-N 261.409 4.636 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@@H]2CCCC[C@@H]2CS1 1879353474 NZGIHFGWBBNNMR-QLFBSQMISA-N 282.497 4.597 30 10 CJEE C=CCN(Cc1ccccc1)CC1CC(C2CCC2)C1 1881773262 FHNHIYKPEGHLNY-UHFFFAOYSA-N 269.432 4.501 30 10 CJEE C=C(CN(C)[C@H](CC)CCC(C)C)c1ccccc1 1883337305 ITBCXRIRDOBVRD-GOSISDBHSA-N 259.437 4.846 30 10 CJEE C=CC[C@H]1CCCCN(Cc2ccc(Cl)c(F)c2)C1 1883478835 PGYNAEVUAXIMIL-ZDUSSCGKSA-N 281.802 4.657 30 10 CJEE CCCCCCCCCCN1CCOC[C@H]1CCC 1883839189 CWLUHVZYPMDHST-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=CCC[C@@H](C)N(C)[C@@H](c1ccccc1)C(F)(F)F 1884109674 ICQINALSOLEMOQ-OCCSQVGLSA-N 271.326 4.577 30 10 CJEE CCCCCCCCN(C)Cc1ccc(C)nc1Cl 1887056704 DSDDFHZHQINXDY-UHFFFAOYSA-N 282.859 4.836 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)C1CCCCCCC1 1887451391 DRTSUHXUQUGLDW-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1cc(C(F)F)cs1 1888711855 NEXIIAABJYKDEI-CQSZACIVSA-N 279.355 4.660 30 10 CJEE C=C[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)C1CCC1 1892916852 MCMUGKFLGMJGAJ-DOPJRALCSA-N 255.405 4.569 30 10 CJEE C=CCC(CC=C)Nc1cc(Cl)cc(Cl)c1 1900995297 FENVVGUWSGJBFO-UHFFFAOYSA-N 256.176 4.926 30 10 CJEE Cc1scc(C(=O)C2=CC[C@@H](C)CC2)c1Br 1902843839 LGXACYHRIKNLKG-MRVPVSSYSA-N 299.233 4.748 30 10 CJEE Cc1ccc(N[C@@H](C)CC2CCCCC2)cc1C#N 1909665998 PDOZIHVPRIVGHR-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CC[C@H]1CCC[C@H](N=C2NC3(CCCCC3)CCS2)C1 1911791900 FXEYQQSKFKBXOQ-GJZGRUSLSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CCC(C)=C(C)C 1919389873 KQORXCXPZNVROV-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE C=CCOc1ccccc1[C@H](O)CCCCCC1CC1 1920019965 DSVFDVVOOQAGIG-QGZVFWFLSA-N 274.404 4.645 30 10 CJEE O=C[C@@]1(Cc2ccc(F)cc2Cl)CCCC12CCC2 1921593953 ALTAOMBFHOPUDD-INIZCTEOSA-N 280.770 4.561 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](CN)CC1 1922685482 WLUQUTRAQFEJNX-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE C=C([C@@H](NCCC)c1c(F)cccc1Cl)[Si](C)(C)C 1922867790 FZJMYIRPYHRJJW-OAHLLOKOSA-N 299.893 4.953 30 10 CJEE Cc1c(Br)csc1C(=O)C1=CC[C@@H](C)CC1 1922887466 NHGVEXKKYNILNR-MRVPVSSYSA-N 299.233 4.748 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H](C)COC 1923986582 KVSMOZIPNGSGRV-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C=CCCCC1)NN 1925761352 RWBPMQHUUGJLGI-IRXDYDNUSA-N 266.473 4.705 30 10 CJEE CCCCCCC[C@@H](N)c1nccc(C)c1Br 1926841040 VLBUDWIZKKSYJN-GFCCVEGCSA-N 299.256 4.513 30 10 CJEE Cc1ccc(N(Cc2ccccc2)CC(C)(C)C)c(C#N)c1 1932044012 SHCPANLGQACGCI-UHFFFAOYSA-N 292.426 4.919 30 10 CJEE C=CCCCCCNCc1cc2ccccc2s1 1962790716 SRPZRMYKOQVCTF-UHFFFAOYSA-N 259.418 4.737 30 10 CJEE CCCCCCCCCCN1CCCC12CCOCC2 1963223347 UZJAMLADUGLLDB-UHFFFAOYSA-N 281.484 4.772 30 10 CJEE Cc1cc(CSc2nc3ccccc3s2)ccc1C#N 1968264388 QZLGBQZQHNQOQA-UHFFFAOYSA-N 296.420 4.769 30 10 CJEE Cc1ccc(C(C)C)cc1N[C@H](C)CC(C)(C)C#N 1968602322 JAKKJCLYEWZETR-CQSZACIVSA-N 258.409 4.859 30 10 CJEE CC1(C)CCCC[C@H]1CNc1ccc(C#N)c(Cl)c1 1970081539 GUJCHAJSAANSFU-ZDUSSCGKSA-N 276.811 4.840 30 10 CJEE CCC1(C#N)CCN(Cc2cc(Cl)cc(Cl)c2)CC1 1970477876 CAJZIBQPNXRYPL-UHFFFAOYSA-N 297.229 4.509 30 10 CJEE CCCCCCCCN(C)CC[C@@H]1CC1(Cl)Cl 2019941996 VKOZRBMGXXXPDP-CYBMUJFWSA-N 280.283 4.863 30 10 CJEE C=CCCCCCC[C@@H](CCCSC)NCC 2026004380 SGDIYNSXHFASRB-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE CCCCCCC[C@H](CC1[C@H]2CCCC[C@H]12)NC 2032812393 NUYVILRIOMCZCS-PMPSAXMXSA-N 251.458 4.761 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1CCCCC1(F)F 2034921349 VIMJVDRJOTXYLX-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1NCCC 2035359352 AOAQDNGZZNMWOP-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]1(C)CC1(F)F 2036114628 FECJVYUNWGAGME-UONOGXRCSA-N 261.400 4.890 30 10 CJEE CCCCCCCCOc1nc(Cl)c([C@@H](C)N)s1 2037775959 WHJKKDLFKCNBIG-SNVBAGLBSA-N 290.860 4.556 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 2039908477 YMEMCRBNZSLQCQ-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE C=CC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2045752066 JEKAWIBIRRUOHK-CYBMUJFWSA-N 277.820 4.905 30 10 CJEE CCCC[C@](C)(C#N)c1nc(C)c(C(C)(C)C)s1 2045994720 XMGXPERDTIWGNF-OAHLLOKOSA-N 264.438 4.721 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCCCCC1(F)F 2046367538 NDPVERIUSZFMQG-UONOGXRCSA-N 259.384 4.666 30 10 CJEE C=CCC[C@@H](NCCC)[C@]1(C)CCCCC1(F)F 2048973391 GSJPXSBHHFWTAI-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC1(C[C@H](NCCC)[C@H](C)CCCC)CCC1 2049029259 FVSRXADGESAPSD-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CCCC(C)(C)C1 2049497012 YYHDFLSSUPNPDJ-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2052909791 HLVBHVISPNJDTK-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C#N)CCCC12CC2 2053360860 WAMZPARBHAIRFJ-AWEZNQCLSA-N 255.352 4.922 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(Cl)c(F)c1F 2056834354 YKVWBAJKGQZVBU-JTQLQIEISA-N 273.754 4.625 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1cc(Cl)c(C#N)cc1F 2057253148 STTIVFVAXMZWQK-UWVGGRQHSA-N 268.763 4.587 30 10 CJEE O=CC1(C[C@@H](F)C2CCCC2)CCCCCCC1 2057902501 UAHJSZRZAGWNNM-OAHLLOKOSA-N 254.389 4.834 30 10 CJEE C=CCCCC[C@@H]1CCCCC[C@H]1CNC(C)C 2059114522 KFDCOOQKBVZNDM-SJORKVTESA-N 251.458 4.927 30 10 CJEE CC(F)(F)C(C)(C)CC1(C#N)CCC(F)(F)CC1 2065253582 QHYDIGKBBUVYKN-UHFFFAOYSA-N 265.294 4.777 30 10 CJEE CCCCCCCCCCC[C@H](N)C[C@@H]1C[C@H]1F 2068074363 PLDJOVONXXCMNF-OWCLPIDISA-N 257.437 4.983 30 10 CJEE C#Cc1cc(C2CCC2)nn1[C@H](C)c1cccc(C(C)C)c1 2070119962 BOGSSTSZNNQIIW-OAHLLOKOSA-N 292.426 4.865 30 10 CJEE C[C@@H]1C[C@]1(C)CC1(C=O)CCC(C(C)(C)C)CC1 2070766770 LHEPLYXITKGBHG-FDVNEVKMSA-N 250.426 4.844 30 10 CJEE CCCCCCCCN1C[C@@H]2CCCC[C@@H]2[C@@H]1C 2074914132 NJAJGZWCVREQMC-YESZJQIVSA-N 251.458 4.857 30 10 CJEE C#CC[C@H](C)CN[C@@H](CC)c1ccc(Cl)cc1Cl 2076049796 BFAUUHCGTBKGLU-NHYWBVRUSA-N 284.230 4.694 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cscc1F 2083447797 PNIIQJOJDAQSIE-OAHLLOKOSA-N 267.413 4.512 30 10 CJEE C=CCCCCCCC(=O)C[C@H]1C[C@H]1C(F)(F)F 2085846339 FJPMAMFEXKCTLK-WCQYABFASA-N 262.315 4.671 30 10 CJEE C=CCCCCCCNc1ccc(OC)c(Cl)c1 2085849680 NHMFFCBASJRIOB-UHFFFAOYSA-N 267.800 4.897 30 10 CJEE C=CCCCCCC[C@@](C)(O)[C@H]1C[C@H]2CC[C@H]1C2 2085914826 NOQWQYZTBREYHK-LUKYLMHMSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCCC[C@@](C)(C=C)C(=O)O 2086278861 NDOHLCSLFGNPFQ-MRXNPFEDSA-N 252.398 4.960 30 10 CJEE CCCCC[C@H](CC)Oc1ccc(C#N)cc1Cl 2086284586 ITXUEQMFXYQFHB-ZDUSSCGKSA-N 265.784 4.949 30 10 CJEE CCCCCCCCCCCCN1CC(=O)C[C@H]1C 2088849611 XKKLVJTXYFDASF-MRXNPFEDSA-N 267.457 4.571 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cscc2Cl)CC1 2089959118 SFFNRXMAVOOIRJ-XGTXGMFGSA-N 297.851 4.935 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCC[C@H]1C(F)(F)F 2092590504 NHIOGIIQDKZMJI-AAVRWANBSA-N 276.342 4.751 30 10 CJEE C=C1CCC(C[C@H](NC)C(C)(C)C2CCCC2)CC1 2093213624 HXHDVAFCJWXFAA-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21 2096541638 DYKLVQHKCROROB-MPGHIAIKSA-N 257.421 4.959 30 10 CJEE C=C1CCC(N[C@H](C)c2c(C)cc(C)cc2C)CC1 2101210353 VICBCIRMTMRWPP-MRXNPFEDSA-N 257.421 4.761 30 10 CJEE C=C1CCC(N[C@@H](C)c2cc(C)c(C)cc2C)CC1 2101210818 ZSKDRPZNZAYGKD-INIZCTEOSA-N 257.421 4.761 30 10 CJEE CCCCCCCCCCC(=O)[C@]12C[C@H](OC)[C@@H]1C2 2101265867 LYZYLXHAWKYSHZ-YQQAZPJKSA-N 266.425 4.511 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@H]2C[C@H]1CC2(F)F 2101425469 VHUOVPDCOSSWDI-ZNMIVQPWSA-N 273.411 4.890 30 10 CJEE C=C1C[C@@H]1C[C@@H](CSc1ccccc1Cl)NCCC 2102476642 GPDHNSKEEINBAH-KGLIPLIRSA-N 295.879 4.767 30 10 CJEE CC1(C)C[C@@](C#N)(Cc2ccc(Cl)cc2Cl)CCO1 2105316110 QCSNRBBUDFREOM-HNNXBMFYSA-N 298.213 4.635 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(OC)c(Cl)c1 2107077832 ZXENKLNPBNUAPO-MLGOLLRUSA-N 281.827 4.602 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@]1(C)CCCC1(F)F 2111675911 DQSKKTLXRQBUPE-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 2111708378 MKRMZKYJNZTXKG-VQHPVUNQSA-N 261.453 4.537 30 10 CJEE C=CC1(C[C@H](NC)C2CCC(CCC)CC2)CCC1 2111720333 HDYNMBOMJKKNNR-JCYILVPMSA-N 263.469 4.927 30 10 CJEE CCCCCCCN(C)C[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2115758657 IUAICVFBAHHFMZ-ILXRZTDVSA-N 273.411 4.570 30 10 CJEE CC(C)(F)[C@](C)(F)C[C@]1(C=O)CCCCC12CCC2 2117039565 LVRUOTXTBWJHPQ-ZBFHGGJFSA-N 272.379 4.782 30 10 CJEE CCC#CCC1(CNCC(C)C)CCCCCCC1 2117453974 DYOUIGFUYHBSEQ-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE O=CC1(C[C@@H]2CCCC3(CC3)C2)CCC2(CC1)CC2 2120062733 IIVCOKPPXHRKNS-OAHLLOKOSA-N 260.421 4.886 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)NCC 2120991545 QDHFHNUEMKAFDV-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCC[C@H](O)[C@@H](C)CN 2121349726 HNQHORYOZSSIBC-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(Cl)nc2)CC1 2125218678 URBMAMPEKKITJQ-ZDUSSCGKSA-N 277.795 4.690 30 10 CJEE COC[C@@H]1CC[C@H](C[C@]2(C#N)CCCCC2(C)C)C1 2125460287 LESMNFKBDSLHRE-UXLLHSPISA-N 263.425 4.549 30 10 CJEE C=C(F)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2126112978 XNSXWELIISFUBT-GFCCVEGCSA-N 295.707 4.883 30 10 CJEE CCCCCCCCCN[C@H]1CCO[C@H](CCC)C1 2126522214 BYLZJJSSYGSNSS-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](O)C1CC2(C1)C(F)(F)C21CC1 2127566904 WJPXSTMCLNLDNT-JVWICGRDSA-N 272.379 4.533 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1CC[C@H]1OC 2130358024 FFKWQBCUGDGVMZ-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CC(C)(C)CC1CC(C#N)(Nc2cccc(Cl)c2)C1 2131721319 LPWFCIHXSHSCLW-UHFFFAOYSA-N 276.811 4.860 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)CC1 2134660136 JCOVUPDCGJUUQT-ATFZCWLGSA-N 257.421 4.635 30 10 CJEE CC1=CCC[C@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O 2135703717 JLMAEAAUPLDBLX-ZACQAIPSSA-N 260.421 4.908 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CC[C@H](CC)O1 2136712666 MWKHGFGTNUNICU-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CCCCCC#CC[C@@H](O)[C@H]1CCCCCC1(F)F 2138911897 IBFIBHJWGWWQKH-HUUCEWRRSA-N 272.379 4.537 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@@H]2CCCC[C@]2(C)C1 2138954607 NXZDLRCNJFRQMA-RCCFBDPRSA-N 261.453 4.519 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 2138959747 VOPIEXDTYKGZKS-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](CC)CC[C@H]1CNC 2138992896 FBYVUWMQHWQLED-KSZLIROESA-N 263.469 4.622 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC 2138992899 FBYVUWMQHWQLED-RCCFBDPRSA-N 263.469 4.622 30 10 CJEE CCCCCC#CC[C@H]1CCC[C@@H]1CNC(C)(C)C 2138993991 NCAHQEAQXVEHDC-DLBZAZTESA-N 263.469 4.765 30 10 CJEE C=CCCCCCCN1[C@H]2CC[C@H]1CC(CCF)C2 2141920643 FXPXXIHBBKWQAB-IRXDYDNUSA-N 267.432 4.726 30 10 CJEE C=CCCCCCCCCN1CC[C@H](C)CCC1=O 2142392237 MTHQMOAXHWZQLI-MRXNPFEDSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccc(C)cn1 2142433269 VUCSBDUGFQDCKG-INIZCTEOSA-N 260.425 4.697 30 10 CJEE C=CCCCCCCCC[C@]1(O)CO[C@@H](CCC)C1 2142433451 FUGKGMYIFTXQDV-DLBZAZTESA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](CCOCC)NCC 2142441231 LAIANLFMEPPWJN-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCCCCN[C@@H]1C[C@@H]1C(F)(F)F 2142452435 HKOKYONCWCMZFY-UONOGXRCSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCCCCC(=O)c1ocnc1C 2142453012 NCPKQFYAVHFDDZ-UHFFFAOYSA-N 263.381 4.863 30 10 CJEE CCCCCCCC[C@@H]1NC2(CCCCCC2)CO1 2142458359 WGGQKMXCDLUICR-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCC)C(CC)CC 2142459507 WXLDKJDRVQGOMK-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCCc1cc([C@@H](N)C(C)(C)C)on1 2142460363 DLBYMDVLJHMLBC-OAHLLOKOSA-N 266.429 4.624 30 10 CJEE CC(C)CCC[C@@H](C)N=C1N[C@H](C2CCCC2)CCS1 2143553573 KVWWTOGRHCZURI-ZBFHGGJFSA-N 296.524 4.843 30 10 CJEE CCCCCCCCO[C@]1(C(=O)O)CCC[C@@H](C)[C@H]1C 2145035038 NVAKNKFKGUMPPX-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC1(CNCCOC)CC(C)(C)C1 2145817972 WNEXQYRWPMYQNT-UHFFFAOYSA-N 283.500 4.779 30 10 CJEE CCC1CCC(C#N)([C@@H](O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 2146854819 PERYJHPVDVNLFG-MTWDBWOISA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@@H](N)[C@@H](O)c1ccc(C(C)C)cc1 2148579477 RIQLQQLCTXIJCN-MSOLQXFVSA-N 277.452 4.531 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(O)[C@@H](C)CC 2148603151 SZHAVICWJFTHGI-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE C=C(CNC[C@]12CCCC[C@H]1CCC2)c1ccccc1 2149133354 ILRPIUUTCQOWLG-RBUKOAKNSA-N 269.432 4.650 30 10 CJEE CCCN[C@H]1CCCCC[C@@H]1CC#CC1CCCCC1 2149864429 KPBYHCQBSRCXRL-MOPGFXCFSA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@H](C)NC1CC(C2CCOCC2)C1 2151178041 FRBKZHYPFGBZLD-ZLPCBKJTSA-N 281.484 4.530 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCCC 2152854957 JFNXVNYLZNWPEA-OTWHNJEPSA-N 271.448 4.905 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2ccc(F)c(F)c2)CC1 2157098307 GTFBFCSDPOHQET-QGZVFWFLSA-N 280.358 4.683 30 10 CJEE CCCCCCCC[C@@H](N)[C@](O)(CC)C1CCCCC1 2158496939 VNQZJMJUCUICKV-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 2158691507 JEKDZBRTIGMTMX-HXSCFSKGSA-N 289.385 4.690 30 10 CJEE CCC[C@@H]1CCC[C@@H](N=C2N[C@H](CC3CC3)CS2)CC1 2159464287 SDBVKWFYWXPQEU-FVQBIDKESA-N 294.508 4.597 30 10 CJEE CC[C@@H]1CCC[C@@H](CN=C2N[C@@](C)(C(C)C)CS2)CC1 2159517141 FGYFQJYJAMJGEM-BFYDXBDKSA-N 296.524 4.700 30 10 CJEE C=C1CC(CNCC(C)C)(Cc2cc(Cl)ccc2F)C1 2159588287 UQHIIZRGJUUHMQ-UHFFFAOYSA-N 295.829 4.604 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccccc1OC(C)C 2164189097 NCXDJZPFZKCEIB-CRAIPNDOSA-N 275.436 4.727 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc2ccccc2n1 2164472613 NDLKTLPWSQSROZ-SFHVURJKSA-N 269.388 4.563 30 10 CJEE CCCCCCCCCC[C@H](N)C12CCOC(C)(C1)C2 2164975245 BLNXODCQXMFPDM-AOCRQIFASA-N 281.484 4.804 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(CN)CCCC(C)(C)C1 2168512255 ACJGRGBQCBLHSI-ROUUACIJSA-N 283.500 4.643 30 10 CJEE C=C(C[C@H](NCCC)c1cc2c(s1)CCCCC2)OC 2171009675 HGFPWYZQRPUJNQ-HNNXBMFYSA-N 293.476 4.608 30 10 CJEE C#CCCCC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2173466075 KQOSYACOZHJQHB-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE N#C[C@@]1(C[C@H]2CCc3ccccc3C2)CCC(F)(F)C1 2178415261 XJDDSGCNSPUSFK-XJKSGUPXSA-N 275.342 4.511 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC1(C2CCCC2)CCC1 2184454839 WQGMPMOCMIOMAE-UHFFFAOYSA-N 292.785 4.876 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2184457232 ATQREQXSPPDREL-XHDPSFHLSA-N 292.785 4.898 30 10 CJEE CC[C@@H]1C[C@@H](C)SC(=NCCC23CCC(CC2)CC3)N1 2184900121 RLCZIDMCJKMHOZ-HCEZTOJASA-N 294.508 4.597 30 10 CJEE CC(F)(F)c1ccc(Oc2ccc(C#N)c(Cl)c2)nc1 2186490155 ZQKIKWPPBKWRKP-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)c1ccccc1CC 2187478581 LHCFCDCVOMFPNT-SFHVURJKSA-N 287.523 4.561 30 10 CJEE CCc1ccc(C#N)c(N(C)[C@@H]2CCC[C@@H](C)CC2)c1 2188848662 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C=C(c1ccccc1)[C@H](NCC)c1ccc(F)cc1Cl 2197141349 DKAUUTYHCTVXIX-KRWDZBQOSA-N 289.781 4.843 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1CCC(F)(F)C1 2197141590 GPDPZTZESRQSBR-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE CC(C)CN(C1CCCCC1)[C@H]1CCCCC[C@H]1C#N 2197165451 BZZLZUXUALUBHZ-WMZOPIPTSA-N 276.468 4.750 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1c1ccccc1 2200043908 HRANQCAEKAZMNM-IPMKNSEASA-N 271.448 4.905 30 10 CJEE CCCCC#CC[C@@H](CC(C)(C)C(F)(F)F)NCCC 2203832510 JHSYBLMXGAENRW-AWEZNQCLSA-N 291.401 4.917 30 10 CJEE CCCCCC#CCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 2203877837 LTZNMOUMUORVRS-UONOGXRCSA-N 288.353 4.898 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@H](C#N)CC1 2207384136 GLIILIGJJXQGOM-GOSISDBHSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CCOC[C@@H]1C 2207397857 WINMGRWVALACAG-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCCCC[C@@H](C)CNCCOC 2207406726 ZXOORBDZHRBUPW-GOSISDBHSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCCCCNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2207428315 XEQQVPVLCNIQOC-CKGODYTQSA-N 275.480 4.785 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1CCC[C@@]1(C)N 2207429570 KSXVWBCXHXADFY-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCN(CC)CC1(O)CCC1 2207442232 PLPOLBZHLJTDRK-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)[C@@H](C)CCC(C)C 2207457805 QUVOHNMUDPPNPN-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE C#C[C@H](CC(C)C)Nc1nc(Cl)c(Cl)cc1Cl 2213911537 XGMZLPNTJCHJTD-MRVPVSSYSA-N 291.609 4.502 30 10 CJEE C=CCCCCCCC[C@](N)(C1CC1)C(F)(F)F 2220087184 IDIPNGQMEFWSEO-ZDUSSCGKSA-N 263.347 4.573 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1(C)CC(C)C1 2220089027 OBQUYUJQEGDZLD-AQFXKWCLSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN1CCc2sccc2C1 2220094367 VSPNCKDEKDOKBM-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE CCCCCCCCCC(=O)c1ccnc(F)c1 2221576050 CBUYDSPUVSFCLB-UHFFFAOYSA-N 251.345 4.544 30 10 CJEE CCCCCCCCCOC[C@H]1CCCC(=O)C1 2223223204 VUNDAQZQKPWHCN-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)CC1CCC(C)CC1 2223600308 UDLVLVFPESSECD-MYBQVCMBSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@@H]1[C@H]2CCCC[C@H]21 2223829187 YQTKIAOPEQJSJK-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](SC)C1CC1 2223867453 GTMRHMAZQJDSNT-ZBFHGGJFSA-N 271.514 4.857 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@@H](F)C1 2223869191 ZWDCYIAGFHZHPY-HRCADAONSA-N 257.437 4.853 30 10 CJEE C=CCCCCCCC[C@H](CC[C@H](C)OC)NCC 2227275255 XAKLEUZGYFQRCL-DLBZAZTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCN=[S@](C)(=O)c1ccccc1 2227281773 HWLQDGKYIIYEGN-LJQANCHMSA-N 279.449 4.670 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H](CC)CC(C)C 2227284289 QRMDUHKRUZEBCF-IAGOWNOFSA-N 268.489 4.807 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCC12CCC(F)(F)CC2 2229681195 STXNHNPMHHPBKA-UONOGXRCSA-N 271.395 4.679 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H](NC)[C@@H]1CC 2230986909 AIAQNCDUVKLCPV-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@]1(C)CC[C@H](CNCCC)O1 2231902645 FRNFYKHJCPQTPJ-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1cc(C)c(Cl)c(C)c1 2232553237 OMNQXNSAQGDIFP-HNNXBMFYSA-N 296.838 4.861 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233648979 JFBOQPQXDHFHTF-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2233689189 JRBMLLIYHWZZQA-PIIMJCKOSA-N 275.480 4.929 30 10 CJEE CCCCCCCCCCC[C@H](C#CC(C)(C)C)NN 2233871686 QQOFHSKSDZHJSZ-QGZVFWFLSA-N 280.500 4.789 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](O)c1scc(C)c1C 2234234530 BYVWMWGKFJWYNB-HZPDHXFCSA-N 297.508 4.866 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1SCCC1CC1 2235457122 GHKHKYGRNYOWBC-BZSNNMDCSA-N 285.456 4.996 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@]1(C)CCCOC1 2235521765 MOWXVLQMKFGFFW-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](O)c1ccsc1 2235523890 KIPFFGQQLYSYBD-IRXDYDNUSA-N 295.492 4.676 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)c1cc(C)sc1C 2235524895 VKCXMYLTCLXMQL-IRXDYDNUSA-N 295.492 4.642 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@](O)(CC)C(C)(C)C 2235535016 LIDNMBIMRMPMFX-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@@H](Cc1ccccc1F)NC 2235538888 LIOKDYKEDPKXGH-KRWDZBQOSA-N 277.427 4.873 30 10 CJEE C=CCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NN 2235540343 WGHPKYVELMFQKA-KRWDZBQOSA-N 294.870 4.631 30 10 CJEE C=CCCCCCCC[C@H](NC)C1(O)CCCCCC1 2235542741 VPPJESLFPJKGNN-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=C(CN(C)CC1(C)CC2(CCC2)C1)c1ccccc1 2236462796 UNRDEBPEQSARHF-UHFFFAOYSA-N 269.432 4.602 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(C)CC2(CCC2)C1 2236523409 BDALUZZOWWRQIK-MRXNPFEDSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CCCc2ncsc21 2238000435 ISRPJWWLZVJVSS-QGZVFWFLSA-N 293.476 4.974 30 10 CJEE C=CCCCCCCCCOC(F)(F)CN[C@@H](C)CC 2238504485 CGDCLHYVUPEDND-HNNXBMFYSA-N 291.426 4.901 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCCCCCCC1(F)F 2238716938 CMKOVDRUYYQTNX-HNNXBMFYSA-N 285.422 4.764 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](NCCC)c1cccs1 2239489389 IKJCCEQMBLOALM-JKSUJKDBSA-N 295.492 4.940 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)c1nccs1 2239493258 RCSUFXDCXWMIQK-OAHLLOKOSA-N 298.496 4.561 30 10 CJEE C=C[C@H](CCCCC)OCc1cc(CNC(C)C)cs1 2239497225 AARYJVSQIJDHTF-MRXNPFEDSA-N 295.492 4.898 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCC(F)(F)C(F)(F)F 2240405017 QAMUEPAVYBAMAM-NEPJUHHUSA-N 299.327 4.689 30 10 CJEE CCCCCCCC[C@](C)(CC(=O)O)[C@H](N)CCCC 2240620441 UMJBUSYHVKRHME-NVXWUHKLSA-N 285.472 4.736 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1COC[C@@H]1CC1CC1 2240643375 XCRJTDPNNJIPOF-SZMVWBNQSA-N 281.484 4.530 30 10 CJEE Cc1cc([C@@H](C)Nc2cc(C#N)ccc2Cl)ccc1F 2240751742 JOAVVTXHOKFPHR-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC(C)(C#N)CCCOCC12CC3CC(CC(C3)C1)C2 2240759296 GRAKXMQMCTXBIV-UHFFFAOYSA-N 275.436 4.549 30 10 CJEE CCCCCCCCN(C)c1ccc([C@@H](C)O)cc1C 2240828448 GVINNOJOWYCWNG-MRXNPFEDSA-N 277.452 4.845 30 10 CJEE Cc1ccccc1CSCC1(CS)CC(C)C1 2246843227 JGRMQDRBRPCDMK-UHFFFAOYSA-N 266.475 4.574 30 10 CJEE SC[C@H](CSCCC1CCC1)c1ccccc1 2249296267 IPDMPFQWCINSFI-OAHLLOKOSA-N 266.475 4.623 30 10 CJEE C=C(C)CCCC[C@H](CO)c1ccccc1Br 2250159673 SDSLCQGBVWSIKZ-CYBMUJFWSA-N 297.236 4.662 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccccc1SC 2259193440 CYYKYZWPZFQDAJ-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE C[C@@H]1CCC[C@H](CCC2(C=O)CCC(F)(F)CC2)C1 2265134234 WFKVFMYZKRNGDJ-ZIAGYGMSSA-N 272.379 4.988 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC=CC#CC(C)(C)C)C1 2268788559 DJYLPJDQYOJKJD-AEFFLSMTSA-N 260.421 4.768 30 10 CJEE Cc1cc([C@@H](C)NCC=CC#CC(C)(C)C)c(C)s1 2268825061 QOPLFFBEDUEONO-CQSZACIVSA-N 275.461 4.621 30 10 CJEE Cc1nc(OCCCCCC(C)C)c(Cl)cc1C#N 2269403335 NEAWCFPGCPZMMM-UHFFFAOYSA-N 280.799 4.510 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCC1(C=O)C[C@@H]2CC[C@H](C1)S2 2269453540 OFEMDOACEQWCGE-VPEURPPWSA-N 280.477 4.836 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](S[C@H]2C[C@@H]3C[C@@H]3C2)C1 2270228616 LGVTWHHZNQCRTD-AQGHMYMLSA-N 277.477 4.873 30 10 CJEE CCCCCCCC[C@@]1(F)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2270415329 VRLJCDBHANHTPO-WNKDZCFJSA-N 269.448 4.983 30 10 CJEE C=C(C)CCCC[C@@]1(CNC2CC2)CCC(F)(F)C1 2271751742 ZNKQBJURUVPCKD-OAHLLOKOSA-N 271.395 4.681 30 10 CJEE C=C(C)CCCC[C@@H](NN)C1(CC(C)C)CCCC1 2271782142 FHZHRWMVWHMGEG-MRXNPFEDSA-N 266.473 4.561 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1NCC 2271842480 WSAFNDFGLNGTNW-MHORFTMASA-N 263.469 4.927 30 10 CJEE Cc1cnc(C2(C#N)CCC(C(C)C)CC2)c(Cl)c1 2271894237 AOHLDWBQFPJRAQ-UHFFFAOYSA-N 276.811 4.651 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC2(CSC)CC(F)(F)C2)C1 2273939088 CTJGZAFVCIAELF-CHWSQXEVSA-N 290.419 4.550 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(CCC(C)C)OCCCN 2276386945 ZLVUDVJBUJBAQS-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1CCO[C@H]1C 2278167812 XNBVLAJDCDPBFJ-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CCCCCCSCCC[C@](C#N)(NCC)C(C)C 2278251572 YKQLKAOFWXJLLU-MRXNPFEDSA-N 284.513 4.608 30 10 CJEE CC#CCCCC[C@@H](NC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279729356 OCFVQMMQPDOERN-RBSFLKMASA-N 289.385 4.527 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2CC(F)(F)C23CCC3)C1 2281062564 AXDYIFPFQNXDAX-CQSZACIVSA-N 283.406 4.538 30 10 CJEE CCN[C@](C#N)(CSCC1=CCCCC1)C[C@H](C)CC 2281263711 AOVXBNCGBNNLJO-NVXWUHKLSA-N 294.508 4.528 30 10 CJEE CC1(C)CCC[C@](C#N)(CC[C@@H]2CCCC23CC3)C1=O 2281330363 FAUFBOVNXSNIAD-KBXCAEBGSA-N 273.420 4.636 30 10 CJEE CCCCCCCCCOc1cc(C)c(CO)c(C)c1 2282781389 UTVDIVAUDUHUQB-UHFFFAOYSA-N 278.436 4.925 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)c2csc(C3CC3)c2)C1 2283080107 CQEHGULFUCGUSF-NVXWUHKLSA-N 289.444 4.769 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1C=CCCC1 2284087317 CFPLHZRQPMSXFZ-MSOLQXFVSA-N 273.464 4.707 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1c(F)cccc1Cl 2284093572 ACVLEPWOWZDCJT-HNNXBMFYSA-N 293.813 4.735 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@@]1(C)COC 2284689683 HVVYCNRTRHGHCJ-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE O[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2289846065 RFGJLSCSFAPVPU-WJFTUGDTSA-N 274.448 4.538 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1CCC(CC)CC1 2289876782 YBIRMHOPEMUSLL-NKELODKYSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1CCC[C@H]1C 2290610617 BOGWCMGODRSBJF-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@H](CCC1CC1)OCCC(=O)O 2291283758 IJBCOMZKCVOQOG-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@](C)(OCCC(=O)O)C(C)(C)CC 2291420105 RPRINFBXAFLQHC-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1Cl)OCCN 2292736908 KAOCWOLAXRQIDH-INIZCTEOSA-N 297.870 4.587 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1C[C@H]2CC[C@H]1C2 2293684157 UEXUSPPXIUYWGG-XSLAGTTESA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCCC[C@H]1C 2294577442 ZESLECQNHLGYBD-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(C(F)(F)F)s1 2294983559 HGEUDNHFBJXMAU-LLVKDONJSA-N 296.317 4.752 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)[C@@H](CC)CCC 2295245030 MDAYOMURWLOHQY-YJBOKZPZSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@@H](COC)C1 2295676149 IISNNFDVORZLOO-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(OC)c(Cl)s1 2301920872 IIWFPJAGAMOBMN-SECBINFHSA-N 294.247 4.593 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(C)c(Cl)c1 2304086770 UBEJHEUFXUXXLH-HNNXBMFYSA-N 250.769 4.824 30 10 CJEE CC(C)C[C@H](CS)CSCC1(C(F)(F)F)CC1 2308064779 YSGCAXZBXSGTEU-SNVBAGLBSA-N 286.428 4.654 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2309564896 BQYNXLYOSNTYNG-QUSNUVHPSA-N 250.426 4.534 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2N 2312998059 OGTIKANCUQXODE-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NC 2313162179 NNTWLMNTIZROCK-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2313177326 HFNWQAGBBDZMPH-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(C)(C)CC[C@H]1NCCC 2313532823 ZKUHOKQSVJXCMC-RRFJBIMHSA-N 269.498 4.631 30 10 CJEE Cc1ccc(F)c(CC=CC#CC(C)(C)C)c1Cl 2313873683 ACNNAWFFOORJEH-UHFFFAOYSA-N 264.771 4.936 30 10 CJEE C=CCCCCCCCS[C@H]1CCNC2(CC2)C1 2313954595 OWYZGTGFCVCGSP-HNNXBMFYSA-N 267.482 4.531 30 10 CJEE CC(C)(COCCCCCCCCCS)C(F)F 2315095194 LBGZBSXDJYISHL-UHFFFAOYSA-N 282.440 4.955 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H]1CC2 2316736708 OSQQMJCNIXZLJT-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCCC[C@@H]2C[C@H]21 2319427935 PPPZLWRFESNRCX-BRWVUGGUSA-N 251.458 4.857 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H]2CCCC[C@H]2CN1 2319780546 XSRQCWLLHYAYMC-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2321105594 QNDWMSLKNLGXJZ-JONQDZQNSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCCC(F)(F)F)NCCC 2321117858 QDVAIFCJIACBHX-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C)CC(C)(C)C1)NCCC 2321135213 TYMMAKGQBMWVRJ-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc(C)cc1 2330449469 FHPZVWSIZJBPHQ-UHFFFAOYSA-N 273.763 4.589 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@](C)(CC)C(F)F 2336606113 UAXKODDKXRXZRD-GDBMZVCRSA-N 273.411 4.620 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)ccc1C 2337113484 IMBGILWCCWMGCD-JZXOWHBKSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)N1CCCC[C@H]1c1ccc(C)o1 2338711594 HTMVNOIHJVSEJL-INIZCTEOSA-N 259.393 4.636 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccccc1CCC 2338741537 OKTQMCDGNCMPCJ-SFHVURJKSA-N 257.421 4.668 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CC(C)=C[C@@H](C)C1 2338747760 SWDDHWOGDQNJBU-OLMNPRSZSA-N 261.453 4.725 30 10 CJEE CCCCC1CCC(C(=O)C#C[C@H]2CC2(C)C)CC1 2339579893 BLNFKANBUWDGOS-GPANFISMSA-N 260.421 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1SC 2342381986 KYRWESZENDQTNP-WMLDXEAASA-N 277.477 4.970 30 10 CJEE C=CC[C@H](C)[C@H](CC1CC2(CC(C)C2)C1)NCCC 2344342604 LCBSUJKMTDODHR-ZZEXBNFBSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1csc(COCC)c1 2344345919 PIPAXDJIDRFZNC-OAHLLOKOSA-N 281.465 4.538 30 10 CJEE CC[C@@H](C)c1ccccc1OC[C@]1(CS)CC1(F)F 2351889520 AVTFWCCIYXCKOW-RISCZKNCSA-N 286.387 4.534 30 10 CJEE FC(F)(F)CC1CCC(CC[C@@H]2CC[C@@H]3O[C@H]32)CC1 2353167204 MVXHHVNDXSQQFA-LSUUEXMVSA-N 276.342 4.703 30 10 CJEE CCC[C@@H](CC)C[C@]1(C#N)CCOC12CCCCC2 2353416492 VKIZAQCTPXSDSJ-CVEARBPZSA-N 263.425 4.836 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)C[C@H](CC)CCC 2353459043 BBHIEVSTMNATTH-HZPDHXFCSA-N 270.457 4.883 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2354298884 UEGDDLUWTUFUCA-SGMGOOAPSA-N 295.398 4.810 30 10 CJEE C=CCCCCCCCCCN[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358323593 QVYTZZVOIJWGFS-OWCLPIDISA-N 285.422 4.927 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1cccc(C(F)(F)F)c1 2360199188 UKUGBYVQFVWISX-GFCCVEGCSA-N 283.337 4.877 30 10 CJEE C=CCC(CC=C)Oc1cccc([C@@H](CC)NCC)c1 2360214521 JHEMIRQXFGHVPW-GOSISDBHSA-N 273.420 4.647 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)s1 14456355 BFUVLFXHIZMVEU-SUNYJGFJSA-N 292.407 4.755 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C(C)(C)C#N)cc2)cc1 36922285 ZUVVEQODIIIQFA-HNNXBMFYSA-N 278.399 4.969 30 10 CJEE CCC1(CC)CS/C(=N\c2ccccc2C(C)C)N1 53045500 BPLGMKVBKCKYJK-UHFFFAOYSA-N 276.449 4.693 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)C2CCCCCC2)cc1 53714850 RPKZZHUBDNDUGU-GOSISDBHSA-N 283.415 4.957 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(Cl)c(C#N)c1 69372884 LUXYHUVTPBDNNI-GFCCVEGCSA-N 250.773 4.592 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@H]1C(=O)O 82114408 ZFEKMHBOVBEKAD-KRWDZBQOSA-N 297.483 4.846 30 10 CJEE CC(C)C1CC(C#N)(c2ccc(Cl)c(Cl)c2)C1 86557873 IUPQMFUIWPHVBY-UHFFFAOYSA-N 268.187 4.821 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccccc1N 88379348 WSESRLFMLQOILN-LJQANCHMSA-N 281.465 4.517 30 10 CJEE N#Cc1ccccc1OCCCCCCCCCS 97799691 PBDCDOWAEJNMIB-UHFFFAOYSA-N 277.433 4.598 30 10 CJEE CCCCCCCC/N=C/c1c[nH]c2ccccc12 102994349 FMSHGNJTGZCXEB-QGOAFFKASA-N 256.393 4.947 30 10 CJEE CCCCCCCO[C@H]1CCCCCC[C@H]1NCC 103978085 LHTQCNMBEAGYOA-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F 109939652 OFNCAIIRMPGYQY-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 109945494 JZCBNBNNLOGBTQ-XCRHUMRWSA-N 270.420 4.739 30 10 CJEE CCCCCCC[C@@H](C#N)NC1CCCCCC1 110029361 KWDSZKWRJRRKSL-INIZCTEOSA-N 250.430 4.551 30 10 CJEE CCCCCCCCOC1(CNC)CCC(C)CC1 110070168 LPEGQINCEDYIRK-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@@H](C)NC 111710576 CPPHAGJUEUZULR-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCO[C@@H]1CC(C)(C)CC[C@@H]1NCC 112847026 SDQIHRIKIFJIKE-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE Cc1cc(Nc2ccccc2OC(F)(F)F)ccc1C#N 126823649 UIRZLWKFGZRYAR-UHFFFAOYSA-N 292.260 4.509 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H](C)CCC 131279803 FNHLZBCATRBKSA-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(Cl)cc1Cl 131598312 MVDWASJSQFHQCE-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCOCc1ccc(N)cc1C(F)(F)F 161865124 RKXTVCVXFHTCKB-UHFFFAOYSA-N 289.341 4.775 30 10 CJEE C=CCCC[C@@H](NCCC)c1c(F)ccc(C)c1F 167729790 KQLOPHOQIUTFAD-CQSZACIVSA-N 267.363 4.670 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 168214914 BFYPIEZJSWQDRP-VJANTYMQSA-N 272.432 4.684 30 10 CJEE C=CCCC[C@H]1C[C@@H](CC)CC[C@H]1CNC(C)C 227519622 FRXFTFVDTIYFTD-ULQDDVLXSA-N 251.458 4.783 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1cc(Br)cc(C#N)c1 227620887 ZGFUJQJACBYIPF-MNOVXSKESA-N 295.224 4.557 30 10 CJEE CCCCCCCCCC[C@H](N)CC(C)(C)OC 230966054 REWXYXAPYXNGEC-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE C=C(C)c1cc(Br)cc2nc(Cl)ccc12 231451162 MYQDEIVFNLGXGG-UHFFFAOYSA-N 282.568 4.684 30 10 CJEE CCCCCCCCC[C@@H](N)c1sc(C)nc1C 232924353 VPMDDVGZZXLIRO-CQSZACIVSA-N 268.470 4.900 30 10 CJEE CCCC1(CNc2ccc(C(F)(F)F)cc2C#N)CC1 233052358 JRDBKSZGPOCLFM-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1Cc2ccccc21 233164031 VRAVESIIXYWZGR-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccc(Cl)c(F)c2)C1 235657110 URJCZZASDBYQKR-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@H](C)c1ccc(Cl)cc1Cl 251754400 UTZDAPNPSNJKIL-AQUOVQTQSA-N 259.176 4.664 30 10 CJEE N#CC[C@@H](c1c(Cl)cccc1Br)C1CC1 260399516 RLOJAWHLFGIAOJ-SECBINFHSA-N 284.584 4.510 30 10 CJEE CCCCCCCCCCNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300633406 XGKFNKFYKHWLQZ-QAETUUGQSA-N 263.469 4.761 30 10 CJEE CCCCCCCCNc1cnc(Cl)cc1C 302337312 TYMCYUCHGROQQE-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccc[nH]1 310619405 GMHSNBPWCYGXRG-HNNXBMFYSA-N 250.430 4.806 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cnc(C)n1C 312399444 OTVXNLBCIPYPIH-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCC1CCC(C#N)(CCc2ccc(OC)cc2)CC1 312581279 TZGWMCBDQZTIBI-UHFFFAOYSA-N 271.404 4.738 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(F)c(Cl)c2)CC1 318910836 LQLTZIRSOWQOOL-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@H]2CCCCC2(F)F)CC1 382042364 DMQLUVFBVOJLKD-WCQYABFASA-N 256.336 4.518 30 10 CJEE Cc1cc([C@]2(C#N)CCCC[C@@H]2C)c2ccccc2n1 384848982 KNHKVYFSJXVQQZ-UGSOOPFHSA-N 264.372 4.515 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)[C@H]1CC1(C)C 397820343 KPLMIPDSGFCPLI-LSDHHAIUSA-N 285.541 4.869 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H](CC)CC(F)(F)F 402690705 BWSVOCXUYZFITG-KGLIPLIRSA-N 291.401 4.773 30 10 CJEE C=CCCNc1ccc(OCc2ccccc2)cc1C 691053077 RCGATJBAQGMAJX-UHFFFAOYSA-N 267.372 4.562 30 10 CJEE COC1(CC2(C=O)CCC(C(C)(C)C)CC2)CCCC1 692815059 SBUFKTLAKGEOOL-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE CCCCCCCCCCNCCCOC(C)(C)C 695283008 PQRPWYKKFSZUMZ-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCC[C@H](C#N)C(=O)OC 695736132 CUUJYBQTSPDXPG-OAHLLOKOSA-N 267.413 4.610 30 10 CJEE CCCCCCCCCC[C@H](NN)C(C)(C)C(F)F 698412132 NXRCTQLEYFMJTK-ZDUSSCGKSA-N 278.431 4.640 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCCCC[C@@H]1N 702475156 HIQOCCRIHXDNNQ-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE CCCCCCCn1c(S)nc2cc(C)c(C)cc21 705837194 AZBSHZVABPHHSO-UHFFFAOYSA-N 276.449 4.912 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCCC12CC2 706255615 ONQXRTMOXWAXQB-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](NN)C12CCC(CC1)CC2 710116125 IFRVDEHGKHHNGH-CGZBRXJRSA-N 266.473 4.539 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cscc1Cl 715717474 CENRFDMDORVFQM-ZWNOBZJWSA-N 257.830 4.654 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCC[C@H]1C 719636163 PDPHODCZTLABIR-LZLYRXPVSA-N 271.404 4.559 30 10 CJEE C=CCN(c1cc(Cl)ccc1CNC(C)C)C(C)(C)C 723190384 CECZLYBSBUPYAP-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE CCCCCCCCC1(C=O)C[C@H](C)O[C@@H](C)C1 724231489 XEMJWPUCZADKID-GJZGRUSLSA-N 254.414 4.510 30 10 CJEE CCCCCCC[C@H](C)NCC1C[C@@H](C)O[C@H](C)C1 724257118 DFLVFHWRDABNPN-ARFHVFGLSA-N 269.473 4.529 30 10 CJEE C=C1CCC(CN[C@H]2CCSc3ccccc32)CC1 724443477 RTRKEPCHBUJMML-INIZCTEOSA-N 273.445 4.560 30 10 CJEE CCCCCCCC[C@H](CC1C[C@H](C)O[C@@H](C)C1)NC 724529638 UDHVBEGHQSYIRF-XYJFISCASA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(CC)cc2)CC1 724574474 CXIJATYKBVWEKI-GOSISDBHSA-N 257.421 4.646 30 10 CJEE C=C1CCC(CC(=O)[C@@]2(OCC)CCC[C@H](C)C2)CC1 724592612 PPQNHNAJSKXSGE-MAUKXSAKSA-N 278.436 4.677 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC(C)(C)c2c(Cl)cccc21 1126631088 NMRHCVPXNFUOJG-LBPRGKRZSA-N 291.822 4.567 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 1134838257 SGWUPRYQIWBNTQ-QGZVFWFLSA-N 297.785 4.652 30 10 CJEE C=CCC1(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)CCC1 1151006067 VNJAEPJNDBIXSH-MRXNPFEDSA-N 299.458 4.604 30 10 CJEE C=CCCC1(CNc2nc(C(C)(C)C)ns2)CCCC1 1163715477 CJLIJXKCCPNPDB-UHFFFAOYSA-N 293.480 4.774 30 10 CJEE C=C(C)CCN(Cc1cccc(Br)c1)C(C)C 1167191886 AZWGMTMEHNXOBI-UHFFFAOYSA-N 296.252 4.626 30 10 CJEE C=CCCCCN(C)[C@H]1CCC[C@H]1c1ccccc1 1171017927 KAOHQZYSYHYAIP-ROUUACIJSA-N 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CCC1CCC(C#N)(c2nc3c(s2)CCCCC3)CC1 2154781093 CTCFGZVZQVWFGE-UHFFFAOYSA-N 288.460 4.774 30 10 CJEE CCCCCCCO[C@@H]1CCC(C)(C)[C@H](NCCC)C1 2155423627 QMUCTKWBVQBLNK-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C1CCC(CNC[C@@H]2CCC[C@]3(C2)CC3(F)F)CC1 2156162909 OWUDVVFYGFARSG-CVEARBPZSA-N 283.406 4.538 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H](O)c2ccccc2)CC1 2157119279 DZSOTAVLUWLQFY-SJLPKXTDSA-N 271.404 4.610 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H](O)c2ccccc2)CC1 2157119282 DZSOTAVLUWLQFY-WMZOPIPTSA-N 271.404 4.610 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](O)c1csc(C)c1C 2157219290 KWPOHVRSANTUNW-IAGOWNOFSA-N 295.492 4.513 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cnccc1C(F)(F)F 2157391188 LJQIRBOXRIZZQN-YPMHNXCESA-N 284.325 4.647 30 10 CJEE CCCSc1ccccc1NCc1ccc(C#N)cc1 2158452297 BCIMZSCDAMWZSG-UHFFFAOYSA-N 282.412 4.672 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 2158689256 NLAZOSQTDLXJPM-DQEVTTJGSA-N 271.448 4.761 30 10 CJEE CC(C)C[C@@H]1CC[C@]1(O)[C@]1(C#N)CCCC(C)(C)CC1 2161904010 OPFUQLYVHFBUAD-CGTJXYLNSA-N 277.452 4.674 30 10 CJEE C=CCOc1ccc([C@H](C[C@@H](C)CC(C)C)NC)cc1 2164061180 NIBBHKNFXYQIQE-YJBOKZPZSA-N 275.436 4.584 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCC)C1CC(CC)C1 2167553781 LKRYNJZJEDTIAH-ZGUYJTEBSA-N 283.500 4.512 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H](O)c2ccccc2Cl)C1 2169746147 YALJVLLISBNGGT-RDJZCZTQSA-N 294.822 4.549 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@](C)(CC)C2)C1 2171031355 HRHYKIFCQJWOFO-BDXSIMOUSA-N 276.468 4.607 30 10 CJEE C=CCCC[C@@H](CC(F)(F)c1ccccc1)NCCC 2173112285 SXGRPBHAPNHDTF-INIZCTEOSA-N 281.390 4.893 30 10 CJEE C#CCCCC[C@@H](NCC)c1cc2ccc(F)cc2s1 2173470875 MOXIZSVAJGZAJG-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE CC(C)c1ccccc1[C@H](O)[C@]1(C#N)CCCC[C@@H]1C 2174250183 ZTBREXGNAROBPZ-WBAXXEDZSA-N 271.404 4.563 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H]2CC23CCC(F)(F)CC3)CC1 2175710010 OZBRZHPTNUWWMI-UONOGXRCSA-N 282.374 4.908 30 10 CJEE CN(c1cc(Cl)c(C#N)cc1F)C1CCC(C)(C)CC1 2177389419 UGIQYGFQVGFXIN-UHFFFAOYSA-N 294.801 4.756 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H](F)C2CCCCC2)C1=O 2178220860 USQRRCCBTLLZGF-YOEHRIQHSA-N 279.399 4.584 30 10 CJEE C=C(Cl)CO[C@@H](C(C)C)[C@@H](NCCC)c1ccccc1 2178548331 HEFSXUQLILIANC-IRXDYDNUSA-N 295.854 4.521 30 10 CJEE C=CCOc1ccccc1[C@H](CCCC=CC)NCC 2179782011 ZPSXKWLDCZOQCM-KRWDZBQOSA-N 273.420 4.648 30 10 CJEE C=C1CC(C[C@H](CCc2cccc(C)c2)NCCC)C1 2182175271 UPASWQRZCXDABM-IBGZPJMESA-N 271.448 4.652 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)[C@@H]1CCC2(CC2)C1 2182867890 ROTNDDLCUJWBPR-NVXWUHKLSA-N 280.452 4.637 30 10 CJEE CC[C@@](C#N)(Cc1cc(C)nc2ccccc12)C(C)C 2184366202 DTTZYLWSWMYXGY-SFHVURJKSA-N 266.388 4.662 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)C[C@H]1NCC 2186190954 WHHRQJGARYREDN-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=CCOc1ccccc1[C@H](O)CC1(CCC)CCC1 2189680024 IDFABTSBWBNHQL-MRXNPFEDSA-N 274.404 4.645 30 10 CJEE COCCC1(CC2(C#N)CC(C)(C)CC(C)(C)C2)CC1 2195193894 MVOCHWHVUACSRY-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE C#C[C@@H](c1ccccc1)N1CCCC12CCCCCC2 2195497784 HHDFMXWQGBBNLE-SFHVURJKSA-N 267.416 4.550 30 10 CJEE C=C(CN1CCC[C@H](C(C)(C)C)CC1)c1ccccc1 2195505632 HHPBDCFVGGBATA-SFHVURJKSA-N 271.448 4.848 30 10 CJEE CCCCCCCCN(C)CCC[C@@H]1CCCC[C@H]1N 2196741351 MTTVYZMFGFVMKV-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 2197140725 XFXDRUXHQABJJX-WNHJNPCNSA-N 269.432 4.504 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@]12CCOC2 2198313016 TVBWWFDWWFPNIY-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE CCCCCCCCNCc1cc(C(C)C)ccc1N 2201549801 LRGMYEPILOFZKD-UHFFFAOYSA-N 276.468 4.842 30 10 CJEE Cc1cc(C)c(C)c(CC2(C=O)CCC(C)(C)CC2)c1 2203042076 RSWIZBOKEUHRAE-UHFFFAOYSA-N 272.432 4.940 30 10 CJEE CCCC#CCNc1ccc(Oc2ccccc2)cc1 2203789456 CYLZIVOTFZGTON-UHFFFAOYSA-N 265.356 4.694 30 10 CJEE C#C[C@@H](N[C@@H]1CCC[C@H](C(C)C)CC1)C1CCCCC1 2203803209 YYTSTHAKYLVGEG-QXAKKESOSA-N 275.480 4.763 30 10 CJEE CCCCC#CC[C@H](CCCc1ccccc1)NCC 2203820701 XVFODVDSJQGEGB-LJQANCHMSA-N 271.448 4.571 30 10 CJEE CCCCCC#CC[C@@H]1CCCC(F)(F)[C@@H]1NCCC 2203825001 VVYZNAFXNAFCQX-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1C[C@H]1C1CC1)NCCC 2203832726 KKPIDIKQDCNXAE-OTWHNJEPSA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NN)C1(C)CCCCCCC1 2203876850 HLTMYLGUIYIPIZ-QGZVFWFLSA-N 278.484 4.543 30 10 CJEE C=CCCCCCC[C@@H](CCOCCC(C)C)NCC 2206895164 RBRFGYWACDVMOD-SFHVURJKSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1CCO[C@H](C)C1 2207395852 HNTIXWXLEBTHNX-SQNIBIBYSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCOCC[C@@H]1CCNC[C@@H]1C 2207402172 AARUSOYHOBAEHJ-ROUUACIJSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1cncn1CCC 2207431629 HGGQYPOSAYCZBY-QGZVFWFLSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CC2(CCC2)[C@@H]1OC 2207438354 STMQEHKHXGLSFA-FUHWJXTLSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1CCC 2207439196 ALOPCSQKSPNKKK-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@](C)(N)c1cccc(C)n1 2207440466 VPDQFCVFXMGIEF-SFHVURJKSA-N 274.452 4.871 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccc(C)c(N)c1 2207441793 KWWFRMCDYALERD-GOSISDBHSA-N 275.436 4.917 30 10 CJEE C=CCCCCCCCC[C@]1(CNCC)CO[C@H](C)C1 2207442397 QPTKCAPHTFECSA-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@]1(CNCC)CO[C@@H](C)C1 2207442400 QPTKCAPHTFECSA-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1COC(C)(C)C1 2207447472 IVCRZRMPDPURBK-IRXDYDNUSA-N 281.484 4.826 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@H](C)C1CCC1)NC 2207457021 MXTMCIQPCCAQJW-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE CCCCC1CCC(C(=O)[C@H](C#N)[C@@H]2CC2(C)C)CC1 2207608815 PKSUEBTUCKDKBC-FJBKBRRZSA-N 275.436 4.738 30 10 CJEE CCCCCCC[C@@H](N)C1C[C@H]2CCC[C@H](C1)C2 2218346289 NDGJIFABIIIXOM-YQQAZPJKSA-N 251.458 4.891 30 10 CJEE CCCC#C[C@@H](NCCC)c1cc(Cl)ccc1Cl 2218438926 WWFNDSBNQIBISX-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(C)C[C@H]1F 2220092225 KVYIMUMALPPDBP-OWCLPIDISA-N 255.421 4.629 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@H]1CC[C@H](C)CC1 2223578175 AQDDFAGVSQKJRD-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](C)NC1CC(CSC)C1 2223857064 KQSLNAAFIUNJMJ-FHERZECASA-N 271.514 4.857 30 10 CJEE CCCCCC#CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225305979 OGQCYANXSXXPMG-VSZNYVQBSA-N 261.453 4.504 30 10 CJEE CCC#C[C@@H](NCC)[C@H]1CC[C@H](CCCCC)CC1 2225415407 GGGMGYBAELUUJD-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(N)cc1Cl 2227275679 NNCXKFKFSUZEHO-INIZCTEOSA-N 281.827 4.872 30 10 CJEE CCCCCCCCCOc1cc(NCC)ccn1 2231072740 OFDVXFJJPKBHSJ-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCC[C@@H](N)C#Cc1ccc(Cl)cc1 2231088847 ORJGATLCLSFZGW-QGZVFWFLSA-N 277.839 4.769 30 10 CJEE C=C[C@@](C)(CNC1CCC1)Cc1ccc(Cl)cc1C 2231501377 YNADQGNTOKWRGY-QGZVFWFLSA-N 277.839 4.525 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@](C)(O)CC(C)C 2231926990 BASRBHKEOGNVMP-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](COC)C(C)C 2231932343 JSDGXRUGVRFSHO-IRXDYDNUSA-N 271.489 4.634 30 10 CJEE CCCCCCCC[C@]1(C)CNCC(CC)(CC)O1 2231943219 ZGIDOYINNXLPIT-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@](C)(O)CCCCCCCC 2231947435 YTFYSDBJYVDITE-JKSUJKDBSA-N 289.891 4.609 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc2ccoc12 2232395936 MPTUBCZDUGWWSU-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=CCCCCCCCO[C@H]1CCC(C)(C)C[C@@H]1CN 2235524471 QJIFGICLUMHNDV-SJORKVTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1CCCCO1 2235525351 AMOJDLGQSCJSIP-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(CN)CCCCCC1 2235541627 JVKBMFUIQOTZLI-QGZVFWFLSA-N 281.484 4.563 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](C)Oc1ccccc1 2235541821 LTKKYDFWZGQMFX-FUHWJXTLSA-N 275.436 4.698 30 10 CJEE C=CCC(C)(C)OC[C@H](NCC)c1cc(C)cc(Cl)c1 2238011582 DTSMDLSAPBTJCJ-INIZCTEOSA-N 295.854 4.670 30 10 CJEE CCCCCCCCOC[C@@H]1CC[C@@H]1CN[C@@H](C)CC 2238500368 VZNPDKYDHVAUQQ-KSZLIROESA-N 283.500 4.778 30 10 CJEE CN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CC1(CS)CCC1 2238903866 QGPINABXNIRECV-IXDOHACOSA-N 295.536 4.625 30 10 CJEE C#CCN(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)CC(C)(C)C 2239255010 ICFWREDJYNEYQL-KZNAEPCWSA-N 275.480 4.574 30 10 CJEE CCCCCCCCCOC[C@@H]1C[C@@H]1CN[C@@H](C)CC 2239468580 RGFCHQWNUJTZEY-KSZLIROESA-N 283.500 4.778 30 10 CJEE C=C[C@H](CC)OC[C@H](NCCC)c1ccc(Cl)c(F)c1 2239491423 AGHJVCKOVQPTPL-CJNGLKHVSA-N 299.817 4.501 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@@H](C)C[C@H](NCCC)C1 2239503131 PUVJLNOZJYQKKZ-WNRNVDISSA-N 281.484 4.695 30 10 CJEE O[C@H](C#Cc1ccc(Cl)cc1)c1ccc2sccc2c1 2239549421 QHZKCSWWKLQCRD-MRXNPFEDSA-N 298.794 4.640 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1ccccc1CCC 2240113816 OHLLYDHAUZMLLX-IBGZPJMESA-N 271.448 4.516 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@@H](C)C1CC1)NC 2240641770 FEYJREVMTGIUJS-NJAFHUGGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)c1cc(C)c(C)s1 2240653125 CQHDRTUCRNARKL-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1sccc1C 2250149365 FPDXJQCUAMGNHD-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE C=CC[C@H](CC[C@H]1CCC[C@H](C)C1)CNC(C)C 2253939155 QMNUYNPEBYANFH-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCNCc1cnc(SC)s1 2257012497 MUEYNCYSHFRCNA-UHFFFAOYSA-N 286.510 4.705 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cccs1 2262361219 IEKIIDUMIJUJOF-AWEZNQCLSA-N 269.454 4.515 30 10 CJEE CCCCCCCCC[C@](C)(O)CC#CC1CC1 2263659048 DDLDURVEJHPRER-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cc(F)ccc1Cl 2268120645 VGWKAGLSPLUDEY-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(OC)c1Cl 2268368728 GLPRIUVNQUWCKD-GXTWGEPZSA-N 281.827 4.602 30 10 CJEE CO[C@H](CS[C@@H](C)CC(C)(C)C#N)C1CCCCC1 2268659866 HRZDIZZRYPHCTR-DZGCQCFKSA-N 283.481 4.643 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C[C@@H]2CC[C@H](C1)S2 2271836810 KWLSZXAVQHHJQL-HMQMGEFJSA-N 281.509 4.775 30 10 CJEE CCCCCCCCOCC[C@@H]1CCCC[C@@H]1NC 2273199935 KLLWWNQGTIRNOR-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H](C)CC(C)(C)C 2273971529 MPONDUKOEPKLSG-WBVHZDCISA-N 263.469 4.621 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC[C@@H]2C)c(F)c1F 2274092034 TWKXTLICZTZRQT-BLLLJJGKSA-N 263.331 4.536 30 10 CJEE C=CCCCCCCCC[C@@H](CCCC)OCCN 2276149102 YHLFTYJVUMIMBF-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H](O)CCC 2278230466 TXJFZZACFMKLPO-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE C=CCCCCCCCC[C@H](O)c1nc(C)ccc1F 2279733521 AJRJJDHELXKCGK-INIZCTEOSA-N 279.399 4.869 30 10 CJEE C=C[C@@](C)(CCC12CC3CC(CC(C3)C1)C2)CNCC 2279899633 ZNLDHOKSIATXDE-NNGLDNROSA-N 275.480 4.785 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccnc(C(F)F)c1C 2283201031 YWFQJLZYFNQRAW-BXUZGUMPSA-N 282.378 4.581 30 10 CJEE CCC[C@@](N)(CC=CC#CC(C)(C)C)c1ccccc1 2284096828 VMXQKAPCQKAKFR-LJQANCHMSA-N 269.432 4.637 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@@H]1C[C@H]1C1CCCCC1 2284115985 PRCZONMHIYYWHO-RCCFBDPRSA-N 273.464 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@]1(C)CCCCC1(F)F 2284183004 LPJITVCRMSDYPP-GDBMZVCRSA-N 284.390 4.559 30 10 CJEE C#CCCN(CCCCC[C@H]1C[C@@H]1C)C1CCCCC1 2284948129 UUSCTEVRXOAHLW-ROUUACIJSA-N 275.480 4.861 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(CC)cc1 2287066055 UBWZXIRBENXQCB-SFHVURJKSA-N 291.504 4.989 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(OC)c(OC)c1Cl 2287386785 ZGJPFEYEZYMRJP-UHFFFAOYSA-N 296.794 4.676 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1C(F)(F)C12CCCC2 2287467239 MPISCVUPKMDONJ-CABCVRRESA-N 285.422 4.927 30 10 CJEE CC(C)CCC[C@@H](C)CCN(CCC#N)[C@H](C)C1CC1 2287883119 DYZYFLJIOZXAGR-IAGOWNOFSA-N 278.484 4.853 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12C[C@@H](CO1)C2(C)C 2288961860 SOXFAYBSBREIIL-XYJFISCASA-N 281.484 4.530 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@]12CCCC[C@@H]1CC2 2289780216 HBMNPSOUDXMNPO-QRVBRYPASA-N 273.464 4.519 30 10 CJEE C=C1CCC(CC(CCC)(CCC)OCC(=O)O)CC1 2291427964 QIVRQODCAWTNDS-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@H](OCCC(=O)O)c1ccc(C)cc1Cl 2292695016 AMRBGAUOPBQXJQ-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1Cl)OCCN 2292736909 KAOCWOLAXRQIDH-MRXNPFEDSA-N 297.870 4.587 30 10 CJEE CCCCCCCC[C@H](C=C1CCCC1)OCCCN 2293923052 ZDQRKRJSNSLOFR-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(CC)cc1 2294363266 QJQXZUAHKWFNGH-SFHVURJKSA-N 277.452 4.626 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C=CCC[C@@H]1C 2294567556 HOPDLYRSFNQXES-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCC[C@@H]1CC 2295521556 CQWJRILGDBDRKB-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCCC[C@@H](N)C1 2295538708 MVXOIRRXWRBSCQ-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C=CC=CCC[C@H](N)[C@@](C)(O)CCCCCCCCC 2295677813 VPGRHSWKCSMOBV-ROUUACIJSA-N 281.484 4.728 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2OCCC[C@@H]21 2295678981 LMFNXBXMHXAKPD-MLHJIOFPSA-N 281.484 4.673 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(NC(C)C)C(C)C 2295765840 HRXLTJCYXSUXIM-IAGOWNOFSA-N 298.540 4.852 30 10 CJEE C=CCN(C)CCCCCCCCCCCNC(C)C 2296284434 QQZIRUJATUHLNS-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE Cc1cccc(C(=O)C=CNc2ccc(C)c(Cl)c2)c1 2297534935 IERVYQFPWQCINA-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE Cc1c(C(=O)C2=CCCCC2)ccc(Cl)c1Cl 2301223132 LXHRKFOCFAKVJV-UHFFFAOYSA-N 269.171 4.985 30 10 CJEE SCCCCCCCCCOC[C@H]1CC[C@@H]2C[C@H]12 2310904754 XTUGIQVZLNWOJX-OAGGEKHMSA-N 270.482 4.710 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2316594995 OJJDYYHEOOUAAI-CYBMUJFWSA-N 290.209 4.971 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H](CC)CC(F)F)NCCC 2321099355 QYONLAGRWDCUDD-MJBXVCDLSA-N 261.400 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@@H]1C[C@H]1C)NCC 2321103492 ZTJVQBRJMJUXRC-NCOADZHNSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(CC)s1 2321141802 QQFOEJMHUBHODY-CVEARBPZSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCCCC[C@H]1C[C@H]1C 2321235617 YETBRRPVOXEAGA-TWMKSMIVSA-N 252.442 4.946 30 10 CJEE C=C(C[C@@H](NCC)c1c(Cl)cc(C)cc1Cl)OC 2327879734 OBCJTBZSNVOWAG-CYBMUJFWSA-N 288.218 4.503 30 10 CJEE CCCCCCCCCCCC[C@H](N)CC1(C)OCCO1 2328079115 CGOFOTVGQOPJCY-KRWDZBQOSA-N 299.499 4.778 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2 2334761221 IVKKZPLDENCSBK-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCCCC(F)(F)[C@H]1NCC 2335096955 SKLMPGISBXATES-IHRRRGAJSA-N 291.451 4.630 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccc(F)cc1 2337067260 IPHWQOSYNXEXSN-RRQGHBQHSA-N 261.384 4.611 30 10 CJEE C[C@@H]1CCC[C@@H](COCCCCCCCCCS)O1 2338704831 HTMVHKCGEQAESB-CVEARBPZSA-N 288.497 4.621 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)NCCC 2338737567 FNEPTXNRHJXYCH-XDNAFOTISA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1CCSC1(C)C 2338747631 RVDMVWCKGMJYNE-JKSUJKDBSA-N 281.509 4.655 30 10 CJEE Cc1c(F)ccc(CC(=O)C2=CCCCCC2)c1Cl 2339176438 QRYOEYRSFPVIQJ-UHFFFAOYSA-N 280.770 4.790 30 10 CJEE CCCCCCCCC[C@](C)(N)C#C[C@@H]1CC1(F)F 2341092266 XKWMAQCOPOFAPS-CABCVRRESA-N 271.395 4.503 30 10 CJEE C=C1CCC(NCc2cccc(C3CCC3)c2)CC1 2343713316 QANPJEXXVDETBA-UHFFFAOYSA-N 255.405 4.543 30 10 CJEE C=CC[C@@H](C)N[C@H](CC)c1ccc(C(F)(F)F)cc1 2343785070 FRGGHZKUUXSPBE-BXUZGUMPSA-N 271.326 4.711 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(F)c(Cl)c(F)c1 2344339626 KUCMFZLIOMPLNQ-LSDHHAIUSA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC2(CC(C)C2)C1)NCCC 2344342599 LCBSUJKMTDODHR-GCODOSRSSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NC 2344376103 AAVWIBZJEVIVMU-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2344410964 DCDLMPHYRJLVJC-CBZIJGRNSA-N 260.421 4.930 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CC(C)(C)CCC1(C)C 2352223597 MHAJZBKEUBQFAQ-LRDDRELGSA-N 284.465 4.744 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1C)OCCC(=O)O 2359976116 XEMFUSIOSQXFQG-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C)c2ccccc2[C@H]1N 2360199657 AIZHYOZWNUYZFJ-MORSLUCNSA-N 287.472 4.816 30 10 CJEE C=C(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 5157369 BKQASPCZOUUIKV-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE C=CCOc1ccccc1CNC[C@H](CC)CCCC 34990760 FYMDHHOUDCBGBG-MRXNPFEDSA-N 275.436 4.557 30 10 CJEE N#Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)cn2c1 35309341 ILYRDNPHGMNBPF-UHFFFAOYSA-N 295.345 4.540 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1F)c1ccc(C#N)cc1 37056532 ZBMLPCSHDSUPIZ-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155061 DSLXSLDVSRXMLH-HEHGZKQESA-N 275.417 4.506 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)c1ccc(F)cc1Cl 37212143 GMEPWDWRSGOROD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)Cc1ccc(C)cc1 57723441 IVDYADRGBUTFFQ-AWEZNQCLSA-N 285.774 4.507 30 10 CJEE CCc1ccc(OC)c(C[C@H](C#N)c2cc(C)ccc2C)c1 57761698 ADCAYCXSVPRKJT-GOSISDBHSA-N 293.410 4.724 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccccc1Cl 59207899 CGOIOTLTAWHFMC-UHFFFAOYSA-N 280.795 4.842 30 10 CJEE Cc1cc(Cl)ccc1Oc1cc(C#N)c2ccccc2n1 68796582 ZCPUIFQNVZWLFX-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCCCn1c(Cl)c(C#N)c2ccc(C)c(C)c21 71465631 NUPZGGMJUYHPIA-UHFFFAOYSA-N 260.768 4.583 30 10 CJEE CCCc1oc(-c2cccc(OC(C)C)c2)cc1CC#N 77081394 RWVSFTBYGBNOJJ-UHFFFAOYSA-N 283.371 4.752 30 10 CJEE Cc1ccc(OCCCCCCS)c(Cl)c1 87080904 NAAFDQFLNAPCDT-UHFFFAOYSA-N 258.814 4.517 30 10 CJEE Cc1ccc(C)c(CC2(C#N)CCC(C)(C)CC2)c1 87940086 JZUDHZMETAFPJU-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCCCCCCCCCCCN(C)C[C@H](C)C(=O)O 88230969 INDDWGZVOAHZQJ-INIZCTEOSA-N 285.472 4.560 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccnc2ccccc12 97419499 RDFWIIZOEDKBJO-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CC[C@H](C[C@@H]1O[C@H]1C)c1ccc(OCc2ccccc2)cc1 107579417 DQRAYOMIDGQQTR-VPWXQRGCSA-N 296.410 4.937 30 10 CJEE CCCCCCCCCCCCOc1cccnc1N 109685721 BHLRWRINLNOCJV-UHFFFAOYSA-N 278.440 4.964 30 10 CJEE CCCCCCCCCOc1ccc(N)c2cccnc12 109685886 CBFGIGPRCDITFG-UHFFFAOYSA-N 286.419 4.946 30 10 CJEE CCCCCCCCOc1cc(F)ccc1/C(C)=N/O 111236309 WZDLZUIDKAAZSD-QGOAFFKASA-N 281.371 4.763 30 10 CJEE CCCCCCCO[C@@H]1CC(C)(C)CC[C@H]1NCCC 112847022 ISTVANZCOANKIS-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@]1(O)CCOC(C)(C)C1 114876175 FPUSUCYCMODZJM-KRWDZBQOSA-N 270.457 4.837 30 10 CJEE CCCCCCCCOc1cccnc1Br 115759769 DDUQNIFHLIQAFE-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE CCCCCCCCCCC1(CNCCOC)CC1 116627184 NSELGKMLNMVHDW-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(C)CCC[C@H]1N 125072828 UJWQWQPOZGPHPL-WBVHZDCISA-N 267.457 4.604 30 10 CJEE CCCCCCCCCCNc1ccc(F)cn1 125636336 RQQGZODJXCDVGV-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE CCCCCCCCCC(=O)c1ccccc1CCNC 126876007 VQDPLGVJDOAGFM-UHFFFAOYSA-N 289.463 4.772 30 10 CJEE CCCCCCCCCCn1ccc2c1CCC[C@H]2N 129458786 VBGFRLXDJKENGE-QGZVFWFLSA-N 276.468 4.965 30 10 CJEE C#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133173155 GKWCQFTXRVOGJM-BRWVUGGUSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCC[C@@H](COC(C)C)NC 143409155 MRCWOQFZLUJQJU-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(F)cc1C 147584097 ZIFTXFKGBXGYCA-INIZCTEOSA-N 251.389 4.755 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)CC1CCCCCC1 162025172 MSPQLVVPQBWRKU-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE N#Cc1ccccc1NCc1c(Cl)oc2ccccc12 164434929 YJIMJKRFPRVODB-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE Cc1cc(C#N)ccc1CNc1cc(Cl)ccc1Cl 165160685 MXZCXJXLVLMLNL-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)ccc2Cl)c(F)c1 168335828 QMCJGJUTRYTVEA-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(=C)C 191422681 YOVIRLUAPPWZMU-UHFFFAOYSA-N 286.419 4.578 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCC[C@H]1C(C)C 214543358 PNTAOKDCGUMFRW-HOCLYGCPSA-N 274.383 4.633 30 10 CJEE CCCCCN(C(C)C)[C@H]1C[C@@H](CC)CC[C@@H]1C#N 217942976 FYBYKPACGXOBAJ-BBWFWOEESA-N 264.457 4.605 30 10 CJEE C[C@H]1CCCC[C@@H]1Nc1nccc(-c2ccccc2)c1C#N 218489242 PTAYJWMRQRXXIU-KSSFIOAISA-N 291.398 4.611 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cn(C)nc1C 227450908 ANFGVYPKKQCBCV-QGZVFWFLSA-N 279.472 4.520 30 10 CJEE C=CCC[C@H]1C[C@H](CCC)CC[C@H]1CNCCC 227526184 DTHNAUYWXUXRMG-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1CCC[C@@H](C(C)C)C1 230990538 FOZUGKDIBYYMCF-CABCVRRESA-N 274.383 4.633 30 10 CJEE CC(C)(C#N)CCCCN1CCC[C@H](C(C)(C)C)CC1 232517277 LMMXJMWTBAXWRZ-INIZCTEOSA-N 278.484 4.855 30 10 CJEE CCCCC[S@](=O)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 233042174 BVBQLKRQUVJSAG-ASKKUZCQSA-N 297.508 4.670 30 10 CJEE CC[C@@H](Nc1cccc(C)c1C#N)c1ccc(F)cc1 233894502 SUDVWFCLIDMCRM-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE C=CCCCCC[C@H]1CC(C)(C)CC[C@@H]1CNC 234380979 QFSSYFSHZMZDOV-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE Cc1cc(Cl)cc(C)c1OCc1ccc(F)c(C#N)c1 235787210 GLMQKJKOYNWSKV-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE N#CC1(c2cccc(SC(F)F)c2)CCCCC1 260334064 RPNGHIULJGZYND-UHFFFAOYSA-N 267.344 4.727 30 10 CJEE CC(C)C(CNc1cc(C#N)ccc1Cl)C(C)C 306092535 KIHZFDMIGNZGOB-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(F)c1 307909956 UNDKYFKKEAUDHM-ZBFHGGJFSA-N 274.383 4.714 30 10 CJEE C=C(Br)COc1ccc(CC)cc1C(C)(C)C 310407890 LYZVIVURCURBNN-UHFFFAOYSA-N 297.236 4.834 30 10 CJEE C=CCCC[C@@]1(CNC(C)C)CCC[C@@H](CC)C1 317385853 AITCVEGNANJFLE-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(CNCCC)CCCS1 317611785 DHXULFRRLMYHEN-OAHLLOKOSA-N 257.487 4.612 30 10 CJEE CCCCCCCCOc1cccc(CO)c1Cl 328305859 FBTOBUFPJVXEJL-UHFFFAOYSA-N 270.800 4.572 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](C)[C@@H]1C 379440159 QWUKEHGWOJFNHQ-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Br)cc1 384727061 AJEACFYXVCOZQO-WFASDCNBSA-N 292.220 4.712 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1cccc(Cl)c1Cl 384969992 IHPFOLHRORSBDB-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C=C([C@@H](NCCC)[C@H](CC)CCCC)C(F)(F)F 385676773 ZYHNHAQFVVXNTI-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE N#CCc1ccc(C(F)F)c2c(Cl)csc12 396194061 UHMXAFHZZYFBQM-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1ccc(NC[C@H](C#N)C2CCCCC2)cc1Cl 397157485 SFBRASYRRHJFDH-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE C=CCCC[C@H](C)NCc1ccc2ccccc2c1 398149389 CYBZCWDXZUTBSQ-HNNXBMFYSA-N 253.389 4.674 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Cl)sc1Cl 398173652 MCTNJXJDOWRALD-VIFPVBQESA-N 278.248 4.889 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@H]2C[C@H]1C2(C)C 400248421 UOQKIEHOBDJKRX-ARFHVFGLSA-N 251.458 4.761 30 10 CJEE CC[C@H](COc1cc(Cl)cc(C#N)c1)CC(F)(F)F 402288082 KILSJXPLDGWCND-VIFPVBQESA-N 291.700 4.569 30 10 CJEE Cc1ccc(NCC2(C#N)CCCC2)cc1C(F)(F)F 405177148 SRTPUEHIJPLJEC-UHFFFAOYSA-N 282.309 4.510 30 10 CJEE C=CCC[C@H](N)c1ccc2c(c1)c1ccccc1n2CC 575245007 NAEAZWBZCGKNDG-KRWDZBQOSA-N 278.399 4.780 30 10 CJEE 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C=CCCCCCCN(C)C[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2236773892 DKXKASZNUFHTOU-NNZMDNLPSA-N 295.536 4.834 30 10 CJEE C=C[C@@H](CC)OC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2239489245 GWLFJTRJNKVMFA-JKSUJKDBSA-N 299.817 4.501 30 10 CJEE CCCCCCCCCOc1cc(C(=O)O)c(Cl)cn1 2239524386 AMUUWLLKVXIKTH-UHFFFAOYSA-N 299.798 4.563 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CC[C@H](CN)C1 2239556747 MVDZPSZOWPLSFU-ZWKOTPCHSA-N 283.500 4.909 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(C)c(F)c1F 2239763924 WIHHAHIPCLQKNH-HNNXBMFYSA-N 279.374 4.508 30 10 CJEE C=C1CC(COc2ccc(CN[C@H](C)CC)cc2Cl)C1 2240239932 WJPABASWPQOACO-CYBMUJFWSA-N 293.838 4.573 30 10 CJEE O=C[C@]1(Cc2ccc(C3CCC3)cc2)CCCC12CC2 2240264401 UKGDLTAZFNQQPW-LJQANCHMSA-N 268.400 4.646 30 10 CJEE CCCCCCCC[C@H](C)NCc1csc2cncn12 2240658616 VGTNQHHHYGZTES-AWEZNQCLSA-N 293.480 4.625 30 10 CJEE C=CCCCSc1cc(Cl)ccc1C(C)=O 2244583199 FBXODUMXJAZOKS-UHFFFAOYSA-N 254.782 4.601 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)cs1 2245448030 AKRDHCSTIHYVCV-PWSUYJOCSA-N 257.830 4.654 30 10 CJEE C=CCCCCCNc1c(F)cc(Cl)cc1F 2247686398 WQBAXUYFRUVLDH-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE C=CCCC[C@@H](NCC)c1c(C)sc(C)c1C 2248313924 JFFUJZZNXNEEAY-CQSZACIVSA-N 251.439 4.680 30 10 CJEE Cc1ccc(Br)cc1CC=CC#CC(C)(C)C 2248457049 YFEMMHJHSCTKHF-UHFFFAOYSA-N 291.232 4.906 30 10 CJEE CCCC[C@](C#N)(CC)C[C@@H]1CC(C)(C)CCO1 2254435542 SHABCZPRRBVSAV-GOEBONIOSA-N 251.414 4.692 30 10 CJEE C=CCCSc1ccc(C)cc1CN[C@H](C)CC 2258979641 XATLANDIJZHGDM-CQSZACIVSA-N 263.450 4.551 30 10 CJEE CO[C@H](CC(C)(C)C)CC1(C#N)CCCCCC1 2259127004 FAIFWSCOOWKNHE-CQSZACIVSA-N 251.414 4.692 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(Cl)cc(F)c1F 2259232604 CZSVEDDFQRIICH-CYBMUJFWSA-N 273.754 4.755 30 10 CJEE CCCCCCCC[C@H](N)CCCCCCOC 2259251513 BFXZINWRGYXADR-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CC1CC2(C1)CC(C[C@]1(C#N)CCS[C@H](C)C1)C2 2259578561 SXYFLPIFCXRNKN-ZCCLKROQSA-N 263.450 4.628 30 10 CJEE C=C[C@H](C)CCN(C)Cc1csc2ccccc12 2260404149 GCJXQFIVGCMMEC-ZDUSSCGKSA-N 259.418 4.545 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)C1CC(C)(C)C1 2260482694 NQVCIEMPLNIXCW-GOSISDBHSA-N 271.470 4.748 30 10 CJEE C[C@@H]1CCC[C@H](N(C)CCCCCCCS)[C@@H]1C 2263212554 WMAIUBUFFCSPDI-OAGGEKHMSA-N 271.514 4.623 30 10 CJEE C#CC[C@@H](COCC[C@@H](C)CCC=C(C)C)C1CC1 2269596975 ZHGGHKWHPASSMY-WMZOPIPTSA-N 262.437 4.825 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(C(F)(F)F)ns1 2271747813 OWIPTYHBSODJMT-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)CCOC1(C)C 2272283657 GCGOEQTZTOYGEE-NVXWUHKLSA-N 265.441 4.938 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C(CC)(CC)CC 2274075463 VLFWYRHQQQLUQP-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CC(C)(C)c1cccc(CC2=CC(=O)CCCC2)c1 2274444791 YXAUPJOADQMENP-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE C=C(C)C[C@@H](CCCCCCCC)OCCC(=O)O 2275161954 MRMHVDLHMCGUSQ-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1CC 2276606674 XIOXRZNIXHNYKB-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@](C)(CSCCC)OCCCN 2276737952 JDFKBEGLOSYKCE-INIZCTEOSA-N 289.529 4.614 30 10 CJEE N#Cc1sccc1CNc1ccc(SC(F)F)cc1 2277485472 URAYNIWGTJLXPB-UHFFFAOYSA-N 296.367 4.547 30 10 CJEE CN(CCCCCCCS)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2277510236 SYOKZGIAXKZNCV-JYJNAYRXSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2279121803 IZDHYWLFZDWSAD-FRPQEJHRSA-N 275.480 4.927 30 10 CJEE CC(C)C[C@@](C#N)(CSCC1=CCCCC1)NC(C)C 2281266655 PZMNJNLXSWNEQF-QGZVFWFLSA-N 294.508 4.526 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1ccc(CCC)cc1)NCCC 2283544162 FYCFQDMKFHTUPM-VQIMIIECSA-N 273.464 4.762 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCC(C)(C)C1 2284098047 DAGURWPQNPWKFF-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@H]1C[C@@H]1C1CCCCC1 2284115982 PRCZONMHIYYWHO-FGTMMUONSA-N 273.464 4.526 30 10 CJEE C=CC1(CNc2cc(C(C)(F)F)ccn2)CCCCC1 2284166824 KXXUYAAMYMYHSW-UHFFFAOYSA-N 280.362 4.742 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CCCCC1(C)C 2284178927 OCAYVXAPTXEDQB-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE CCCCCCC[C@H](NCC)c1nccc2occc12 2284263489 WDZALJCQSYGLNH-HNNXBMFYSA-N 274.408 4.839 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@]1(C)COC 2284689965 IKTURDIAAHLSTN-FGTMMUONSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCOC[C@H](N)c1cnc(C)s1 2285037181 ZCRNPAXXQBVXDR-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(C)cc(OC)c1 2287375023 KQSIMEDGJGFLKI-SFHVURJKSA-N 275.436 4.791 30 10 CJEE N#CC[C@@H](Nc1cccc(C2CCCC2)c1)C(F)(F)F 2289195000 AFHOCULEYCMYLJ-CQSZACIVSA-N 282.309 4.601 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CC12CCCC2 2289686600 XJTJMVGNZYVKSL-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE C=C(C)C[C@](CC)(CC1CCCCC1)OCCC(=O)O 2291157298 YMDMQGUARRNNHD-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)c1ccc(CC)s1 2291440572 OPOJNGDRKKLHGZ-AWEZNQCLSA-N 296.432 4.589 30 10 CJEE C=C(CC)C[C@]1(OCCC(=O)O)CCC[C@@H](CC)CC1 2292135830 QYARBXUJMHRLBW-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1ccccc1C 2293074496 RPDJUHYUYXFHQT-GOSISDBHSA-N 277.452 4.546 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](N)C#Cc2ccccc2Cl)CC1 2295203081 PDXSZIWPNRRBMB-QGPMSJSTSA-N 289.850 4.625 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)[C@@H](C)CC(C)(C)C 2295212363 SIAOFXVOAJDTHU-WMLDXEAASA-N 291.866 4.742 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)CC(C)(C)CC 2295217820 WYHRIVMOBRIQGB-INIZCTEOSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCC[C@@H]1CNC 2295519463 HBMSELVNNYLBCT-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(N)c1noc(C(C)C)n1 2295673741 KPNFOMBNFDIGPC-INIZCTEOSA-N 281.444 4.508 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@](C)(C(C)C)O1 2295674930 WPLSCCDUMDJPJX-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)CC(C)(C)C 2295677127 RNSZZRRXUCSKBL-IRXDYDNUSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NCC)[C@H](C)CC 2295678525 IFKLFPZJXMNFHI-KURKYZTESA-N 285.516 4.902 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1C[C@H](C)C[C@@](C#N)(NC)C1 2295712154 VCDQFJFMWGCVIH-MWDXBVQZSA-N 296.524 4.606 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(Br)cc1C 2301026127 PXNFYSQWNUPQFV-OAHLLOKOSA-N 295.220 4.559 30 10 CJEE C=CCC(CC=C)NCc1csc2ccccc12 2313645180 NSQQCERUUYYTCU-UHFFFAOYSA-N 257.402 4.512 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNCCC)c(Cl)c1 2313697063 AOTGJLCLKYIVKT-GFCCVEGCSA-N 283.868 4.896 30 10 CJEE CC1(C)CC(=O)C=C(c2c(Cl)cc(F)cc2Cl)C1 2313816131 KDBSVOIGWXMVSI-UHFFFAOYSA-N 287.161 4.905 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1C[C@H](SC)C1 2314305036 AYWPNNOWNZMYFV-JYJNAYRXSA-N 269.498 4.762 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1c(Cl)cccc1Cl 2315491902 SPLMTLLWESEKGL-ABAIWWIYSA-N 284.230 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(Cl)c(F)c1 2316739599 SYNWVEGOCIGEDV-HNNXBMFYSA-N 267.775 4.508 30 10 CJEE CN(c1ccccc1Cl)c1ccc(C#N)cc1Cl 2317026574 UDYBQLRUKTURAE-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE CCC(=CC(=O)Cc1ccc(F)c(C)c1Cl)CC 2317075336 COHQWGUDALMUFX-UHFFFAOYSA-N 268.759 4.646 30 10 CJEE CCCCCCCO[C@@H](C)CCCCNCCC 2318025739 LZFSLESNMUKOME-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=CCC[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2318626859 QREYTVWEHUERQL-OAHLLOKOSA-N 286.246 4.870 30 10 CJEE CCC[C@@](C)(C=O)CCCCC(F)(F)C(F)(F)F 2319565312 PABMUIKCOMMAGD-SNVBAGLBSA-N 274.273 4.750 30 10 CJEE CCCCCCCCCCn1nc(C)c(F)c1C 2319963938 YOPUTIRJMDKDEE-UHFFFAOYSA-N 254.393 4.780 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCCC 2320259694 WVGHZEGTFGJTBO-HRCADAONSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C)CCCCC1)NCCC 2321107608 HYOPBGSUZGWQMI-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@@H]1CCC)NCCC 2321143424 APZJTYAOZJRCSY-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc2ccccc2s1 2321217325 OYXGPHCKCPQPLD-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(C)c1 2321227850 IBFFVIYIPLMUOL-JKSUJKDBSA-N 266.812 4.544 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(C)cc1Cl 2321227947 IUQXGMKQPXIYST-JKSUJKDBSA-N 266.812 4.544 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2C(F)(F)F)CCCCC12CCC2 2331569755 GGOHMOUEIODGKW-SCRDCRAPSA-N 274.326 4.505 30 10 CJEE C=CCCCC[C@@H](NCC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338685602 CBYZJCYWFPIULE-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C[C@@H](CCS)CCOCC(C)(C)Cc1ccccc1 2338827190 LGPQDKWLUKOQIS-OAHLLOKOSA-N 280.477 4.618 30 10 CJEE C=C1C[C@H]1[C@@H](CC1CCC(CCC)CC1)NCCC 2341891428 CPJPJLQZBSCGCY-OPQOLIRYSA-N 263.469 4.927 30 10 CJEE C=C(C)C[C@H](C[C@H]1CCCC[C@H]1C(F)(F)F)NCC 2341927967 CQQLIEUJZZEZBS-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE CC(C)c1cccc(COC[C@H](CS)C(C)(C)C)c1 2343784638 YSLWKBGRDWQWKC-MRXNPFEDSA-N 280.477 4.919 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cccc2ccccc12 2344418233 AIPKOUZKZKHAGQ-UHFFFAOYSA-N 252.357 4.554 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C[C@@H](C)CC)C(=O)O 2352000662 HISPJBYJWBAGIR-XJKSGUPXSA-N 284.465 4.910 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(F)cc1SC 2353818583 LCNRGSIQJNGBNJ-WBMJQRKESA-N 281.440 4.801 30 10 CJEE CCC(CC)CN(CC)c1ccc(C#N)c(SC)c1 2353837797 KPSKZMPTKSTIFX-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCC[C@@H]1c1cccs1 2353841419 NRUKIICAUVJMDX-HUUCEWRRSA-N 297.533 4.867 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCC[C@@H]2C[C@H]12 2354329287 AEKUCPGVUQGPQU-OWSLCNJRSA-N 280.500 4.785 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NN 2358322309 OANQSJRCFKXUAN-ZJPYXAASSA-N 278.484 4.561 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1OC[C@@H]2CCC[C@H]12 2358458617 CINDPRDSRYDKMM-XSLAGTTESA-N 281.484 4.660 30 10 CJEE CCCCCCCCOc1ccc(C(C)=O)cc1F 2022861 PBQSKRXBRPBOIU-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CC#N 31943661 YWYULBPCMKOIHR-UHFFFAOYSA-N 296.201 4.770 30 10 CJEE Cc1cc(C)c(C(=O)[C@H](C#N)c2cccc(Cl)c2)c(C)c1 37344648 ISXKDKDOZVLRMV-MRXNPFEDSA-N 297.785 4.755 30 10 CJEE C[C@H](CCc1ccccc1)Nc1ccc(C#N)c(Cl)c1 37393318 VMKVOPVOSOUNBH-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 49028844 JSHXFKZUUSGKET-ZMSDIMECSA-N 290.476 4.677 30 10 CJEE CCCCCCCOC[C@@H](N)c1ccc(C(C)(C)C)cc1 59083364 XWYYEUMQFWAWKH-GOSISDBHSA-N 291.479 4.971 30 10 CJEE CC(C)[C@@](C#N)(/C=C/c1ccccc1)c1ccccc1 62723473 VXQGKMUEVUAJQR-KQDNUWKFSA-N 261.368 4.817 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 71132237 MCKYFKNPGMFPAX-WCQYABFASA-N 263.768 4.559 30 10 CJEE N#Cc1cc(NCC2CCCCCC2)ccc1Cl 89557780 SLLHANZQWSWAII-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)CC1(CS)CCCC1 94579647 UOJMQTILGOOVGB-CYBMUJFWSA-N 297.895 4.823 30 10 CJEE C[C@@H]1CC(OCC2(CS)CCCCC2)C[C@@H](C)C1 94585907 DJQZDJFWGUFORM-KBPBESRZSA-N 270.482 4.708 30 10 CJEE CCC[C@H](CS)CSc1ccc2c(c1)CCC2 94588895 UNMWXQRIZNXIEQ-GFCCVEGCSA-N 266.475 4.614 30 10 CJEE CCN(CCCCCCCCCS)C1CCCC1 97799219 MFNXUPCQPZGQLK-UHFFFAOYSA-N 271.514 4.911 30 10 CJEE O=C(/C=C/C=C\c1ccc(Cl)cc1)c1cccs1 103044129 JKBXVODAOSFKQQ-AGRHYVPTSA-N 274.772 4.854 30 10 CJEE CCCC[C@@H](CC)COc1ccc(Cl)cc1C#N 104175039 SSGZOAJICHYSCW-GFCCVEGCSA-N 265.784 4.807 30 10 CJEE CCCCCCC[C@H](C)NCCc1cccc(C)c1 109948033 DCXJPUPZYDETGV-KRWDZBQOSA-N 261.453 4.876 30 10 CJEE CCCCCCCO[C@H](CC)[C@H](CCC)NCCC 110081304 ARSNYOUBZKATOV-DLBZAZTESA-N 271.489 4.920 30 10 CJEE Cc1ccc(C#N)c(Sc2ccc3c(c2)CCC3)c1 110354136 JCDOIDCJEQCREW-UHFFFAOYSA-N 265.381 4.507 30 10 CJEE CCCCCCCN1C[C@H](C2CCCCC2)NCC[C@@H]1C 115268637 DMQPURRUAVSBAI-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCCc1nc2cc(C#N)ccc2n1CCC 115580892 KFWCUFYSWQFQRI-UHFFFAOYSA-N 283.419 4.831 30 10 CJEE CCCCCCCCC(=O)Nc1c(C)ccc(N)c1C 115854509 YWIJJMNNJMOYEN-UHFFFAOYSA-N 276.424 4.575 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccccc1OC 115858079 YQIMDUPOZIZYBR-MRXNPFEDSA-N 287.403 4.622 30 10 CJEE CCCCCCC[C@@H](Cc1nc2ccccc2o1)NCC 116601934 XHOGBLWGEZKZGK-HNNXBMFYSA-N 288.435 4.709 30 10 CJEE CCCCCCCCCC[C@H](O)[C@](C)(CC)N(C)C 118151321 XBFKMSOGIRJWRU-IRXDYDNUSA-N 271.489 4.608 30 10 CJEE CCC(CC)[C@@H](C)Nc1cc(Br)ccc1C#N 123281529 GCHYONUGFDFMIH-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE N#Cc1ccc(Oc2c(C#N)oc3ccccc23)c(Cl)c1 126003656 JFGYQZIOESFVLK-UHFFFAOYSA-N 294.697 4.622 30 10 CJEE CC(C)c1ccccc1Nc1c(F)cc(C#N)cc1F 127421793 YLZPHRVUAVTKDG-UHFFFAOYSA-N 272.298 4.703 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cnn(C)c1C 143454248 ISZOHQNYTVRVCE-SFHVURJKSA-N 293.499 4.910 30 10 CJEE N#Cc1ccc(CNc2ccccc2-c2cccs2)s1 161108228 KSSRKGWLPQDQOH-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccccc1)c1ccccc1C 162608551 VCLJEUNJTFNBAE-APWZRJJASA-N 265.400 4.639 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1 189874130 FZYCETGLJKDKQD-UHFFFAOYSA-N 297.373 4.930 30 10 CJEE CCCCN(CC)[C@H](C#N)c1cccc2ccccc12 213007014 LOTJLCAAFNLLCV-GOSISDBHSA-N 266.388 4.526 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1C#N 215060905 IZRLGIJTAMOTMF-GOEBONIOSA-N 276.811 4.838 30 10 CJEE C=CCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNC1CC1 219647249 XTENQSSJFMXOJK-YESZJQIVSA-N 263.469 4.783 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)cc2)C1 222249834 HEGVJNSKDZGJNX-JMSVASOKSA-N 263.381 4.636 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](N)c2cc(C)ccc2O1 229106414 YJKVPMJZTLSANR-GDBMZVCRSA-N 261.409 4.506 30 10 CJEE CCCCCCCCCn1ccc2cc(CO)ccc21 229679678 YUOYPDWTMOJPHP-UHFFFAOYSA-N 273.420 4.884 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)c(C)c1 229757045 NBOCNWNSHALMNP-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCCCCCCO[C@H]1CNCC[C@H]1C 230200061 JXBROPYTLGZVNR-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](N)c1cccc2ccncc12 232016412 DKUPCOLMZICXRU-SFHVURJKSA-N 270.420 4.985 30 10 CJEE CC(C)CCN(CCC(C)C)c1ccc(F)cc1C#N 232552992 MGJZDHFHXWVLRR-UHFFFAOYSA-N 276.399 4.596 30 10 CJEE CCCCCCCCOCCCCC(C)(C)CN 232958350 ZNZBYVANYBGKJB-UHFFFAOYSA-N 257.462 4.519 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)[C@H](CC#N)c1ccccc1 251582116 WHVMWGBWZOTODD-KBXCAEBGSA-N 298.817 4.988 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1[C@H]2CCCC[C@H]21 252898129 FIXZEWOPJZTVSD-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1[C@H]2CCCC[C@H]21 253025690 ZRNRHTFHAORMQI-XWTMOSNGSA-N 280.500 4.785 30 10 CJEE C=CCCCCCCN[C@@H]1CCCc2sccc21 310950339 QYRCDDJKLJJFQH-OAHLLOKOSA-N 263.450 4.852 30 10 CJEE CO[C@H]1CCC[C@@H](C2(C#N)CCC(C(C)C)CC2)C1 311373278 JWVWVNJLWFPXKH-GMRIPVOYSA-N 263.425 4.548 30 10 CJEE C=CCCCN[C@@H](C)c1oc2ccccc2c1CC 312005362 YZCJFHPMUQZYTK-ZDUSSCGKSA-N 257.377 4.612 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2ccccc2C(F)(F)F)C1 317630452 WHTMWCBKHWAHJE-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CCCC1CCC(C#N)(Cc2ccc(OC)cc2)CC1 383252261 IMYAASVGSYSUKL-UHFFFAOYSA-N 271.404 4.738 30 10 CJEE CCCCCCCCNC(C)(C)COCc1ccccc1 390015970 URSKQCNNYVBWBX-UHFFFAOYSA-N 291.479 4.932 30 10 CJEE N#CCc1c(Cl)sc2ccc(C(F)F)cc12 396194071 UHYRHNPIBXCPKF-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2ccc(C)cc21 398315258 UPWRYVHSCICEKJ-GFCCVEGCSA-N 260.406 4.551 30 10 CJEE CC(C)CC1(C/N=C2/N[C@](C)(C(C)C)CS2)CCCC1 398491479 CGYVDOYWWZNRLA-INIZCTEOSA-N 296.524 4.700 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](C#N)Nc1cccc(C)c1 401490682 GLTHALQPLCMMER-DJIMGWMZSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@@H]2C[C@H]2C1 403718636 ZHNOBDDIZXPNSM-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cscc1Br 404786089 ALGDKCXQGQDMBF-GFCCVEGCSA-N 288.254 4.518 30 10 CJEE CCCCCCCCC[S@](=O)Cc1ccccc1F 526856367 SBOLRUKAEXCKDG-IBGZPJMESA-N 284.440 4.825 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(F)cc1)c1ccccn1 583000392 RWEULGUQPNADPU-IBGZPJMESA-N 298.405 4.646 30 10 CJEE C#CCCCCC[C@H](N)c1cc(Cl)ccc1Cl 686697622 NMQUTNQEPMSJHT-AWEZNQCLSA-N 270.203 4.577 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(C)c1Cl 686701871 SJXQGPCGRKBSLO-INIZCTEOSA-N 277.839 4.883 30 10 CJEE CCCCCCCCCCCC[C@H]1COC[C@H]1NCC 687984854 GTYRGGIWRVVYCZ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C(CC)(CC)C(F)(F)F 690227981 QIUKHCYYOKIQDK-ZDUSSCGKSA-N 291.401 4.773 30 10 CJEE CN(c1ccc(C#N)cc1)C1CC(C)(C)CC(C)(C)C1 693076952 UZIJYTRZVSFTCH-UHFFFAOYSA-N 270.420 4.599 30 10 CJEE CCSc1cccc(NCC(C)(C)C(C)(F)F)c1C#N 696652368 AWGROFWATHTCIJ-UHFFFAOYSA-N 298.402 4.764 30 10 CJEE CC1(C)CCC(C)(C)C1Nc1ccc(Cl)cc1C#N 699560675 VGQKLDMEFRBAFX-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCC(CC)(CS)CN1CCC(C)(C)CC(C)(C)C1 699666362 RXJNCADELNPTCM-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1C(F)(F)F 703954261 ANPUDUWWDFYUIP-UHFFFAOYSA-N 285.353 4.787 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC[C@@H](C(C)C)C1 704039052 VJNDSEXNXMZTGH-CVEARBPZSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCSC1)NC 708762175 GBCCUGRZYXNGFL-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](CC)NC 709279349 CSHPJRGIOPCSDZ-MRXNPFEDSA-N 269.473 4.865 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@H]1CNC1CC1 710622391 PKLYIQPGRCTWQE-QLFBSQMISA-N 269.860 4.714 30 10 CJEE C=CC[C@H](C)C(=O)c1ccc(Cl)cc1C(F)(F)F 715714630 LWLPZYAYQHHNQD-QMMMGPOBSA-N 276.685 4.754 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCC 715794972 BAHNKCQWFCUADN-ABAIWWIYSA-N 286.246 4.726 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(F)ccc(F)c1F 716428143 FYSXYDKWJSCQBQ-CQSZACIVSA-N 285.353 4.891 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)N1 723661150 VZCPGAHRGNBAIG-RRFJBIMHSA-N 294.508 4.597 30 10 CJEE C=CCC(C)(C)C(=O)OCc1ccc(Cl)cc1Cl 1126766870 FLFBKNYCVQWGFT-UHFFFAOYSA-N 287.186 4.639 30 10 CJEE C=CCCC[C@@H](C)NCC1CCC(CCC)CC1 1178304568 LNCRWOYDQWMCEO-KLAILNCOSA-N 251.458 4.927 30 10 CJEE C#Cc1ccc(NC/C=C\c2ccc(F)cc2)c(Cl)c1 1179702094 XIMSRNWEQKKXMJ-ARJAWSKDSA-N 285.749 4.586 30 10 CJEE C=CCN(C[C@@H]1C(C)=CCC[C@@H]1C)c1ccccc1 1205442766 POFXUEPMWOOMDG-FUHWJXTLSA-N 255.405 4.671 30 10 CJEE C=CCCCC[C@@H](C)NCC1(C(F)(F)F)CCCC1 1206992615 YNNNFJBHTREBEN-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=CCCC[C@H](N[C@H]1CC[C@H]1CC)c1ccccc1 1207341804 UXKDSOMUDZSMAL-NJAFHUGGSA-N 257.421 4.862 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCSC2(CCC2)C1 1207719356 GLIOUKIFMTVZNZ-HUUCEWRRSA-N 267.482 4.529 30 10 CJEE C=CCCCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1264544179 GKOZSONFCCXZPS-INIZCTEOSA-N 273.420 4.636 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncnc2scc(C)c12 1307163708 HAQXNXCXVRMCTD-QWHCGFSZSA-N 287.432 4.547 30 10 CJEE N#Cc1cc(Cl)ccc1S[C@@H](C#N)C1CCCCC1 1307310028 GJXWIMLQHKMVCW-HNNXBMFYSA-N 290.819 4.776 30 10 CJEE CC(C)c1csc(SCc2cccc(C#N)c2F)n1 1307365096 FOJLMJJYNGTIRA-UHFFFAOYSA-N 292.404 4.570 30 10 CJEE CC(C)c1csc(SCc2ccc(CC#N)cc2)n1 1307365238 HNZXDNAWRVKRCV-UHFFFAOYSA-N 288.441 4.625 30 10 CJEE C=CC[C@H](C)N1CCC[C@@H](CCCc2ccccc2)C1 1307591862 CVCZWEFPQRPFOR-PKOBYXMFSA-N 271.448 4.686 30 10 CJEE C=CCCCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 1307780458 GOZCEESYINMVQB-LBPRGKRZSA-N 291.826 4.565 30 10 CJEE C=CC[C@@H](CC)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1308723469 NJSAFVVYGXUOEH-SWLSCSKDSA-N 285.353 4.753 30 10 CJEE C=CCCCN[C@@H](C)[C@@H](C)c1ccc(CC(C)C)cc1 1308734538 CJUMLJQVJHJJTA-SJORKVTESA-N 273.464 4.933 30 10 CJEE C#CCC1(NC[C@H]2CCCC[C@@H]2CC)CCCCC1 1308950794 UFWLQAXPRZBYHD-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C=CC1(CC(=O)Nc2ccc(O)c(Cl)c2)CCCCC1 1446468529 WBDRVKOSSYWLER-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H](C)CCCc1ccccc1 1458278937 ZTYXSDAOCJGPNI-IRXDYDNUSA-N 287.447 4.506 30 10 CJEE C=C(C)[C@@H](NCC/C=C\CC)c1ccc(F)c(F)c1 1459979517 IZEMBMPHFWNUAA-OGZRUICASA-N 265.347 4.528 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](CC)c1ccc(F)cc1F 1460485818 BOPFQCJCLPACHO-VBQJREDUSA-N 277.358 4.599 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(N(C)C(=O)CC)cc1 1462545672 IQBUJMKEBTVWEK-OAHLLOKOSA-N 288.435 4.606 30 10 CJEE C=C(C)CN(CC)C(=O)[C@H](CC1CCCCC1)C(C)C 1532353164 NCXAAEAVNVFYQG-QGZVFWFLSA-N 279.468 4.654 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCC[C@H](C)C1 1545006168 KYIBDPNXWRORTO-IRXDYDNUSA-N 279.468 4.846 30 10 CJEE C=CCN(C(=O)Nc1ccc(C(C)(C)C)c(F)c1)C(C)C 1563234711 ZXUWIQJYJWRTCE-UHFFFAOYSA-N 292.398 4.552 30 10 CJEE C=CCCCCN1CCc2c(cccc2C(C)C)C1 1617694169 OMAAPNAXNFPKNE-UHFFFAOYSA-N 257.421 4.524 30 10 CJEE C#Cc1ccc(NCc2ccc(OCCC(C)C)cc2)cc1 1621098727 YZUGWSYJVBCOQG-UHFFFAOYSA-N 293.410 4.705 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](c1ccccc1)C(F)F 1621577021 HLLITZPPPYHQPA-CABCVRRESA-N 267.363 4.717 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H](C)c2cccs2)CCCCC1 1630365592 ZOSDHGCYJYIGRX-AWEZNQCLSA-N 291.460 4.794 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)CC(C)(C)C2CCCCC2)C1 1632373831 SHUJKRLQYKOFDH-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE CCCCCCCCN(C)c1ccccc1N(C)C 1644978694 FHDSAAJJELUEAT-UHFFFAOYSA-N 262.441 4.549 30 10 CJEE C=CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)s1 1648733542 PRLJQXUMKLOKNH-UHFFFAOYSA-N 298.238 4.998 30 10 CJEE C=CCN(CCSC(C)C)Cc1ccc(Cl)s1 1652059644 TUXDVCAEACVYBM-UHFFFAOYSA-N 289.897 4.531 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cnn(-c3ccc(C)cc3C)c2)C1 1652218155 AXOFKQDGQDMKSS-DLBZAZTESA-N 295.430 4.646 30 10 CJEE C=CCCSCCN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1652787598 GANADUWOQDIANV-ZIAGYGMSSA-N 297.895 4.731 30 10 CJEE C=C(C)CN[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1653588831 OVYIARYIAQZEQZ-IAGOWNOFSA-N 277.839 4.922 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2CC[C@H](OCCC(C)C)CC2)C1 1656656037 IAGDXEAVZPRJIP-VJANTYMQSA-N 293.495 4.695 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(Cl)cc1OC 1657860347 OUUWHIMBBFQSEZ-ZDUSSCGKSA-N 267.800 4.895 30 10 CJEE C=CCC1(CNC[C@@H](C)C2CCCCC2)CCCC1 1659205421 DDGCXNAHWKXUQX-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE C=CCC1(NCc2cc3cccc(CC)c3o2)CCCC1 1662880221 SXPDWPKAZUFEDD-UHFFFAOYSA-N 283.415 4.974 30 10 CJEE C=CCOc1cccc(CNCC[C@@H]2CCCC2(C)C)c1 1662927059 BEGIYXYNEZMKHP-KRWDZBQOSA-N 287.447 4.557 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCCCC2(C)C)c1 1665184610 RCAZMMOPXTWEBC-INIZCTEOSA-N 286.419 4.810 30 10 CJEE Cc1ccc([S@+](c2ccccc2)C(F)F)c(C)c1 1857791210 IITLOFFGFITKHM-SFHVURJKSA-N 265.348 4.562 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C=O)CCC(F)(F)C2)CC1 1878253264 YADVFVMLQYWMGV-RBSFLKMASA-N 272.379 4.988 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(C)cc(C)c1 1879644020 LPVXJXBSSFAJEC-GOSISDBHSA-N 257.421 4.538 30 10 CJEE CCCCCCCCN(CC)Cc1ccc(O)cc1 1883314985 WLUJSYUQBWPVFO-UHFFFAOYSA-N 263.425 4.575 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 1883836209 YJKHQMIQSDPZNI-ILOCAZANSA-N 263.469 4.713 30 10 CJEE CCCCCCCCCCN1CCC2(CC1)CSC2 1883862100 MSXSBULGCSKISJ-UHFFFAOYSA-N 283.525 4.956 30 10 CJEE CCN(C1CCCCCC1)[C@@H]1CCCCC[C@@H]1C#N 1888618059 GGOGIJPXTVOTHO-NVXWUHKLSA-N 262.441 4.504 30 10 CJEE C=C(c1ccccc1)[C@](C)(O)[C@H]1CCCC(C)(C)C1 1888706355 WCXPWAFQRGGTMH-WMZOPIPTSA-N 258.405 4.667 30 10 CJEE C=CC[C@@H](C)Oc1cc(C)c(F)cc1[C@H](C)NCCC 1913334076 MFHDSLNLJSBJLC-KGLIPLIRSA-N 279.399 4.538 30 10 CJEE CCCCCCC[C@](C)(O)c1coc(C(F)(F)F)c1 1919914815 WGCKIYUDQLPWKQ-ZDUSSCGKSA-N 278.314 4.866 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276.424 4.729 30 10 CJEE CCCC[C@@H](C)CCC(=O)[C@H](C#N)c1ccccc1F 2206998627 NPDXQWUGMSXKKW-UKRRQHHQSA-N 275.367 4.608 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ccccc1N 2207391981 OLMPWPWXAGUYDI-GOSISDBHSA-N 275.436 4.999 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1cnc(Cl)n1C 2207405487 SEMTXAIRZKLCFE-AWEZNQCLSA-N 297.874 4.770 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)c1sccc1C 2207428574 YHRDCPXRPIPGGA-HOTGVXAUSA-N 295.492 4.724 30 10 CJEE C=CCCCCCCCCOC[C@@H]1CCC[C@@H](CN)C1 2207435695 KHXVMLBSBPAYHV-QZTJIDSGSA-N 281.484 4.685 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H](C)O[C@H]1C 2207436832 NXEGUFKUNDXVMK-XDNAFOTISA-N 282.468 4.858 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1C[C@H](C)O[C@@H]1C 2207440143 XBDAQFINRSLXBE-MLHJIOFPSA-N 281.484 4.824 30 10 CJEE C=CCCCCCCCCC[C@H](O)C12CC(C1)[C@H](C)O2 2207441921 MFTFKUWQPUFUMH-NALMEZQBSA-N 280.452 4.612 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSC1CCCCC1)NC1CC1 2207557970 VICCOZGVFMRGST-PBHICJAKSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCCCC[C@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]23)[C@@H]41 2208404951 HTSXNBAYKJIBTD-GWETXUJWSA-N 274.448 4.556 30 10 CJEE N#CC1(Cc2cscc2Br)CCCCCC1 2211136230 POYYHFXRPUBCNF-UHFFFAOYSA-N 298.249 4.917 30 10 CJEE O=C1CCCCC=C1c1ccc(Br)cc1Cl 2212311865 KZTZBZIVBNVRJQ-UHFFFAOYSA-N 299.595 4.629 30 10 CJEE CCCCCCC[S@@](=N)(=O)CCCCC1CC1 2214562925 MEKYCELAOASGJD-QGZVFWFLSA-N 259.459 4.584 30 10 CJEE CCCCC[C@@H](C)Oc1cc(Br)cc(C#N)c1 2215134895 FKINXUHKIFTXNY-LLVKDONJSA-N 296.208 4.668 30 10 CJEE C=CCCCCCCCNC[C@H]1C[C@@H]1C(C)(C)C 2220079978 NYWOOQITQXJHOY-CVEARBPZSA-N 251.458 4.785 30 10 CJEE C=CCCCCCCCCOc1ccsc1C=O 2221899205 HQLJMDVEMLDGNM-UHFFFAOYSA-N 266.406 4.856 30 10 CJEE CCCCCCCC[C@H](C)Nc1c(C)n[nH]c1C 2223856502 DMVCIZBSQJLNOY-LBPRGKRZSA-N 251.418 4.578 30 10 CJEE C=CCCCCCCNc1ccnc2nc(C)sc12 2224531717 CGOTXRDXPJUZNL-UHFFFAOYSA-N 275.421 4.548 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(C)c1OC 2224885772 IWCRTYZHGCLSEZ-QGZVFWFLSA-N 264.409 4.572 30 10 CJEE CCCCCCCN1C[C@H]2CCC[C@]2(C(F)(F)F)C1 2225295379 LVQSHFLKPZGYKE-KGLIPLIRSA-N 277.374 4.621 30 10 CJEE CCCC#C[C@@H](CSc1cccc(Cl)c1)NCCC 2225437315 UXSYPKGPNGDXOJ-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE C=CCCCCCCCN1CCC(CCCF)CC1 2227289832 BTHMEUHAZDPQFA-UHFFFAOYSA-N 269.448 4.975 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC12CCC(F)(F)CC2 2229688111 FQSYVQUSXMKSKU-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(F)cc1Cl 2231515430 XIXQQBMEMWVTHE-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](CNC1CCC1)CC1CCC(C)(C)CC1 2231573815 SBNFVBKSOBVUQC-INIZCTEOSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](C)N(C)CCCCCCN 2231853883 CVOFNRDXPWQQSW-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)c1csc(C2CC2)n1 2231903984 YELPLWZJOQPFAK-MRXNPFEDSA-N 281.465 4.979 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C2C[C@@H]3C1[C@@H]3C2 2231908379 XMGJDVLXIKVFRN-LTAZPPIPSA-N 264.453 4.780 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cccc3ccoc23)C1 2232365330 LOPHSICLIQXILL-CXAGYDPISA-N 253.345 4.695 30 10 CJEE C=C([C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(F)(F)F 2233657983 SITDFDSMWMWYQG-YJNKXOJESA-N 289.385 4.690 30 10 CJEE C=CCCCCCCCCOC[C@H](NC)c1cccs1 2234042061 LQBUYJAMDAZFBU-INIZCTEOSA-N 295.492 4.942 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1cc(C)ncc1C#N 2234437038 GYBCFPPZWSMAEW-QGZVFWFLSA-N 274.408 4.636 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1csnc1OC 2235522127 QNPADUCGCUKGLO-HNNXBMFYSA-N 296.480 4.719 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](O)CCCCCCC 2235522761 XZEKWZUSWRBLFY-MSOLQXFVSA-N 283.500 4.952 30 10 CJEE C=CCCCCOC[C@@H](NCC)c1ccc(Cl)c(F)c1 2235843106 XEWWMUDPULSHCR-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@]1(C)CC=C(C)CC1 2237306460 GJJGPBOOMSFKTD-MSOLQXFVSA-N 291.555 4.762 30 10 CJEE CCCCCCCCCO[C@@H]1CCN[C@@H]2CCCC[C@@H]21 2239456530 MOCMYDXXJWYCEW-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCOCC1(CNC(C)C)CC1 2239511988 ZGMQCWAEZAKJSQ-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCC[C@H]1CC[C@H]([C@@H](N)C#Cc2ccc(Cl)cc2)CC1 2239568082 IXIAPTQRBGLRLU-ZVZYQTTQSA-N 289.850 4.625 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)c1ccc(C2CCC2)cc1 2240387074 PPMSAOGGZZVRGA-ROUUACIJSA-N 271.404 4.708 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1CC[C@H](COC)C1 2240613752 LKLQKJUHEJYTAQ-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)[C@H]1CCC[C@@H](C)C1 2240636896 BZDPTMCPHSWEMX-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1C[C@@H]1CCC 2240645566 WEJJMMRCAJJXAV-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE CC=CCCC[C@H](NC)[C@@](C)(O)CCCCCCCC 2240653378 FWMXMVSTOIUEAF-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H](C)c1ccc(C)cc1 2240823351 DSGJRQNXZXKDEZ-PKOBYXMFSA-N 271.448 4.660 30 10 CJEE CCCC#CCC(=O)c1sc(Br)c(C)c1C 2243078871 JECRIFWPSWVOGT-UHFFFAOYSA-N 299.233 4.504 30 10 CJEE Fc1cc(Cl)ccc1OCCCCCCCS 2252621301 QQGUZXZWXXTJRL-UHFFFAOYSA-N 276.804 4.738 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(Cl)CC1 2252954074 XYZSHTHBDSTABA-AWEZNQCLSA-N 259.865 4.877 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CCC(F)(F)F 2256413318 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2276239570 RZFBLZXOTWLLNW-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=CCCCCC[C@@](CC)(OCCCN)C(C)(C)C 2277000449 MWVAYCRNWRWZQS-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=C([C@H](CCCCCCC)OCCCN)[Si](C)(C)C 2277210843 QIHAMWFCKVGFDN-INIZCTEOSA-N 285.548 4.515 30 10 CJEE O=C(CC#CC1CCCC1)c1ccc(C(F)(F)F)s1 2277661143 QIGGJFMPKIEQRM-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@@H]1CCC[C@@H](CC#N)O1 2277709642 AEDBUJLVKBRNAH-UWVGGRQHSA-N 289.322 4.599 30 10 CJEE C=CCCCCC[C@@H](NC)c1nc(C(C)(F)F)cs1 2278605132 JHGVOVFWQAOMND-LLVKDONJSA-N 288.407 4.652 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2279733395 ZHVQKTCZSUYUIJ-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]32)cc(C)c1C#N 2280571148 WVHCGSWASNBIRL-QILLFSRXSA-N 268.404 4.556 30 10 CJEE C[C@@H](N(C)CC=CC#CC(C)(C)C)C(C)(C)C(F)(F)F 2284177408 HUHVHZVHFFIGNG-CYBMUJFWSA-N 289.385 4.501 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@]12COC[C@H](C1)C2 2288767688 KKCUZWBRQHXNIZ-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CN[C@@H](C#CC1CCCCC1)C1CC2(CCCCC2)C1 2289791624 RSLZMAVVOVTQFN-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](NCC#CC2CCCC2)CC1 2289845209 RQPRSDPSNAIRGA-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H]1CC[C@H](C)CC1 2289860780 YILOKOJBIQCVEH-WDSOQIARSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)CC1CC(C)(C)C1 2289882368 PBUAZMWAQPRXJX-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H](C)[C@@H](C)CC 2290639522 YYOBHUSJKFARAL-UXLLHSPISA-N 286.456 4.889 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@H](C)C(C)C 2291703990 RESJQUCPTJKVJW-HOTGVXAUSA-N 286.456 4.889 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CC(C)C 2291867642 VVLWEAGFDCZTRJ-JKSUJKDBSA-N 286.456 4.889 30 10 CJEE C=C(C)CCCC[C@](C)(CC(C)(C)C)OCCC(=O)O 2292730376 FRNKFGXHSRVJCE-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(C)cc1F 2292780059 UJSWDYJGRPTURK-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CC[C@@H](C(C)C)C1 2292802770 WFMHAQOOXSOUBO-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)C1CC1)OCCCN 2292916226 OHHNBOGQYKUBHB-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1CCC2(CC2)C1 2293367756 GPRHDILEVNKKCR-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=C([C@@H](OCCCN)C1CCCCCCC1)[Si](C)(C)C 2294319183 NAMZINJWCBEQFH-QGZVFWFLSA-N 297.559 4.515 30 10 CJEE CCCCCCC[C@@H](OCCN)C1CCC(C)(C)CC1 2294368595 RIIDWAWGNOPEFF-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](C#Cc1ccccc1Cl)NCC 2295210964 FEXCKLWEAVAFCM-FUHWJXTLSA-N 291.866 4.742 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(Cl)c(C)cc1OC 2295364074 BDMAXLYQZGWGDC-OAHLLOKOSA-N 298.858 4.522 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@H]1CCC[C@H]1C 2295674805 VMUFREKWLHTDSU-XDNAFOTISA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@]1(C)CNC(=N)N1[C@@H](C)CC 2295674895 WJUKTBNYXUBWQV-DOTOQJQBSA-N 281.488 4.524 30 10 CJEE CCC=CC(=O)CCCc1cc(Cl)cc(Cl)c1 2302373035 VSTFKYWRDDXQJY-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE C=C(Br)CCN(C)Cc1cccc(C(C)C)c1 2303752135 RMWLVTXBGDLWKW-UHFFFAOYSA-N 296.252 4.541 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cc(Cl)ccc1Cl 2304056482 RYBMXTOBAFZTHA-UHFFFAOYSA-N 271.187 4.707 30 10 CJEE C[C@H]1CC[C@H](CSC[C@@]2(CS)CC2(F)F)CC1 2306944172 ZIKHIKBCJQZLGX-SRVKXCTJSA-N 280.449 4.501 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](C)NCC)cc1C 2313686895 QZLKBTRSFDVLCD-KBPBESRZSA-N 263.450 4.722 30 10 CJEE CC(C)CC(CC(C)C)OC[C@H](CS)CC1CC1 2313800750 LDEDJFPEPZIREG-OAHLLOKOSA-N 272.498 4.810 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cc2sccc2s1 2315463160 OBHNRBVLCVKXCZ-WCQYABFASA-N 277.458 4.797 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(F)c(F)cc1Cl 2316733513 HKJXRRLIIRAYGU-UHFFFAOYSA-N 270.706 4.569 30 10 CJEE C[C@H]1C[C@@](C=O)(CCCC2=CCCCC2)CCS1 2318582484 DFPSVWJISXJLCV-GOEBONIOSA-N 266.450 4.758 30 10 CJEE CC(=NOCc1ccccc1F)c1ccc2c(c1)CCCC2 2318633574 IBNQUWNLIQWALG-UHFFFAOYSA-N 297.373 4.645 30 10 CJEE CCc1ccc(C(C)=NOCc2ccc(Cl)cc2)cc1 2318633660 LDRVWWKKOLMXGZ-UHFFFAOYSA-N 287.790 4.843 30 10 CJEE CC1(C)CC[C@H](C[C@@]2(C=O)CCCC(F)(F)C2)C1 2319324987 BGSUDHDCKZQIDR-JSGCOSHPSA-N 258.352 4.597 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C)c(F)c1Cl 2321134556 PAVFTXBQESBGQH-NHYWBVRUSA-N 269.791 4.650 30 10 CJEE CC(=Cc1cccc(OCc2ccccc2)c1)C(C)=NO 2329479823 DUMDSHVOEIRKKW-UHFFFAOYSA-N 281.355 4.519 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc(C(C)(C)C)cc1 2335206721 NGNWESBXVAOOCR-CZUORRHYSA-N 277.477 4.682 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)COCC1(C)C 2336106768 UVODDDZHHVBHDO-DOTOQJQBSA-N 265.441 4.795 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccccc1CC 2337079500 RUVGLNMLMODAQH-UWWQBHOKSA-N 257.421 4.644 30 10 CJEE C=CCC[C@H](C)[C@](C)(CCCC(C)C)OCCCN 2337643999 SVLCYZVJDNXMEU-IRXDYDNUSA-N 269.473 4.539 30 10 CJEE C=C[C@H](C)ONC(C1CCCCC1)C1CCCCC1 2338273072 ZQFVLPNITNJMOR-AWEZNQCLSA-N 265.441 4.611 30 10 CJEE CCCC[C@@H](CC)[C@H](C#Cc1cccs1)NCCC 2338392357 FMWMVBJLIWTZDU-WBVHZDCISA-N 277.477 4.684 30 10 CJEE C=C1CC([C@H](Cc2ccc(Cl)c(Cl)c2C)NCC)C1 2338672291 DTXMVDUIEIVNQV-HNNXBMFYSA-N 298.257 4.789 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCCC(F)(F)C1 2338740009 AZMQXJYSWMASSJ-CABCVRRESA-N 271.395 4.558 30 10 CJEE CC(C)(C)[C@@H](CS)COC[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339240687 PEIQRFYJTWPRJA-LVQVYYBASA-N 282.493 4.588 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1ccc(F)c(C)c1Cl)NCC 2339321409 WWCIQIZQYJDVPK-BXUZGUMPSA-N 283.818 4.520 30 10 CJEE CCc1cscc1N=C1N[C@]2(CCC[C@@H](C)C2)CS1 2341942128 JURWRVYPVBTCBO-ABAIWWIYSA-N 294.489 4.583 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1ccc(Cl)cc1C#N 2343115184 CITLKMRCRJCWJB-RISCZKNCSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(F)cc1F 2344341658 DHOZVWBTGISGFQ-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2344356860 OIQBEEYJWWHSBT-UBDQQSCGSA-N 263.469 4.783 30 10 CJEE C=CCCSCCNc1cc(Cl)nc2ccccc12 2344358935 SUJPWIMQVXBAFR-UHFFFAOYSA-N 292.835 4.609 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C1CCC1)NCC 2344373652 BSYONNBZYCSTGJ-WNRNVDISSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCSC[C@@H]1C[C@@H](N)C12CCC2 2351631206 GIEHXVLCJHLYDW-JKSUJKDBSA-N 281.509 4.764 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1=CCCOC1 2353534678 PZPPGGNVUCTXPY-QGZVFWFLSA-N 268.441 4.615 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H]2C(C)(C)C)ccc1C#N 2353828921 TZYGHWFAVYDHKQ-ZIAGYGMSSA-N 274.433 4.517 30 10 CJEE CC(C)CCN(C[C@@H](CS)CC(C)C)C1CCCC1 2353842381 BYSRCRGOVHMJHN-INIZCTEOSA-N 285.541 4.869 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CCCCC2)C1 2357694288 POSLCVIYFMUWEL-IPMKNSEASA-N 275.480 4.927 30 10 CJEE N#C[C@]1(C(CC2CC2)CC2CC2)CCc2ccccc21 2360285459 CEJXKEGLHUABCE-IBGZPJMESA-N 265.400 4.611 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)(C)C)cc1C#N 2360374249 HSINUTCBGDFGDY-CYBMUJFWSA-N 288.460 4.503 30 10 CJEE Fc1ccc(N/N=C/c2cccc(Cl)c2Cl)cc1 6674975 NQLZEHOVAYUDOJ-CAOOACKPSA-N 283.133 4.579 30 10 CJEE N#CCc1ccc(-c2ccccc2OCc2ccccc2)cc1 16948220 HSUFPQLUKZEILZ-UHFFFAOYSA-N 299.373 4.999 30 10 CJEE COc1ccc(N[C@]2(C#N)CCCC[C@@H]2C(C)(C)C)cc1 37936486 BUCADMHGOVRZTN-AEFFLSMTSA-N 286.419 4.606 30 10 CJEE CSc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1 39842676 RTBZKSHTKRAOGQ-YVLHZVERSA-N 296.391 4.642 30 10 CJEE CCC(C#N)(CC)Cc1ccc(Cl)cc1Cl 49804265 NPAJMJPHSRIYSC-UHFFFAOYSA-N 256.176 4.866 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2cccc(F)c2)cc1 57750249 MQXGADRLFTUISN-QGZVFWFLSA-N 267.347 4.799 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(NC(C)=O)c1 59089847 HOMKNHAPPWAWSM-AWEZNQCLSA-N 276.424 4.806 30 10 CJEE N#C[C@H](CSc1ccc2c(c1)CCC2)c1ccccc1 80800742 VRZNHXWDDSSENU-QGZVFWFLSA-N 279.408 4.575 30 10 CJEE SCC1(CSc2cccs2)CCCCC1 87096594 ZOIHTQPMMYIBTG-UHFFFAOYSA-N 258.477 4.721 30 10 CJEE N#CC1(Cc2cccc(Br)c2)CCCCCC1 87945853 SCSNTBCHLAONJM-UHFFFAOYSA-N 292.220 4.856 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)c2ccccc2Cl)CC1 91881198 JSCICQKPAPGNHV-BLDCVEFLSA-N 291.822 4.730 30 10 CJEE Cc1ccc(Cl)c(OC[C@H](CS)C(C)(C)C)c1 94584414 LSTLMOBQQZXTFM-LLVKDONJSA-N 272.841 4.619 30 10 CJEE SCC1(COCc2cccs2)CCCCCC1 94585732 KKUFRQXBFDTQGV-UHFFFAOYSA-N 270.463 4.535 30 10 CJEE C=C(C)CC[C@H](NC)c1cc2cc(F)ccc2s1 97419631 ABMGFWVBAFLGCC-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE COc1c(CCCCC#N)cc(C)cc1C(C)(C)C 98130523 PCCJANLZCALLNT-UHFFFAOYSA-N 259.393 4.538 30 10 CJEE O=C(/C=C\Nc1cccc2ccccc12)c1ccccc1 100357560 KLLPJVFWDTZLJT-YPKPFQOOSA-N 273.335 4.648 30 10 CJEE CCCCCCCCCO/N=C(\C)c1cccc(N)c1 106613165 JTEMPFHKJYGIIZ-XDJHFCHBSA-N 276.424 4.760 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(C)c(C)c1 108972428 GVKOXEOSSVGKRA-QGZVFWFLSA-N 271.404 4.840 30 10 CJEE C[C@@H]1CCc2ccccc2N1c1cc(Cl)ccc1C#N 110251170 SYYBUXSVEHKICE-GFCCVEGCSA-N 282.774 4.684 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@H](C)c2cccc(Cl)c2)c1 110258520 QZCYYAPKRMYKOU-CYBMUJFWSA-N 284.790 4.718 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@H](CCC)CCC1=O 110325783 WUFLMIUQCDJHBE-HUUCEWRRSA-N 266.425 4.702 30 10 CJEE N#Cc1ccc(Sc2ccc(F)c(F)c2)c(Cl)c1 110354182 MADFDFYSTHWWQH-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(Cl)cc2C#N)cc1 110381858 OMMNWFJFHKLUMZ-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CCNC 112210934 ZADMLLUXUHIDDV-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCC[C@@H](CC)Nc1cccc(SCC)c1C#N 127041605 XMUHNNYVVZBCCQ-GFCCVEGCSA-N 262.422 4.661 30 10 CJEE CCCCCCCC[C@H](O)c1ccn(-c2ccccc2)n1 135380975 NEQYVUOOTANWCL-SFHVURJKSA-N 286.419 4.656 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H](C)COC 135559632 BXYBUFIUAYROJT-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE C=CCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 140091162 WRTQCBQGFFYYOZ-UHFFFAOYSA-N 277.367 4.960 30 10 CJEE CCCCCCCC[C@H](NCCC)c1snnc1CC 140467856 YBNVVQNKIHKWDT-HNNXBMFYSA-N 297.512 4.892 30 10 CJEE CC[C@@](O)(c1ccccc1)C1(C#N)CCCCCCC1 156792573 HDDSFSDBCOJEGB-GOSISDBHSA-N 271.404 4.538 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc(F)c1F 159044121 URBHBMVTOCIHNP-CQSZACIVSA-N 255.352 4.715 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](CCC)OC 159793023 AWJMSVOKPSAPRN-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE C[C@H](Nc1cccc(C(C)(F)F)c1)c1cccc(C#N)c1 188569148 QCZLCNOICQFDAU-LBPRGKRZSA-N 286.325 4.843 30 10 CJEE C=CCC[C@H](C)Nc1ccc(SC(F)F)cc1 228818482 LVPWUZWOZDDFPX-JTQLQIEISA-N 257.349 4.768 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](NC)[C@@H](C)C1 229481904 XKOJOLMKFOIWEW-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](Cc1nccn1CC)NCCC 229805420 WBIYBNXWGAXPPJ-QGZVFWFLSA-N 293.499 4.564 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OC2CC2)cc1 229980150 KZDDXUKZUBINPX-KRWDZBQOSA-N 262.393 4.622 30 10 CJEE CC[C@@H](C)c1ccc(OCC[C@H](C)CCS)cc1 232360741 PHOZOGQBRMMXQT-UONOGXRCSA-N 266.450 4.925 30 10 CJEE CCCCCCCCn1ccc2cc(C(N)=S)ccc21 232942006 XRXVNPSJOHMIPX-UHFFFAOYSA-N 288.460 4.636 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(Cl)c(F)c1 232943883 AXYRPIBBJJCDCZ-CYBMUJFWSA-N 271.807 4.709 30 10 CJEE C=CCCCCCC(=O)[C@H](C)Oc1cccc(Cl)c1 235548525 HNTOTJMHARYGSW-ZDUSSCGKSA-N 280.795 4.813 30 10 CJEE N#Cc1ccc(Nc2ccc3ncsc3c2)cc1Cl 236068904 FKYHXFVZENMKPQ-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCCCCCCCCN1CCCN[C@H]([C@H](C)CC)C1 250819680 KRJHMONHMRZJQV-MOPGFXCFSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCCCN1C[C@@H]2CC[C@H](O)[C@H]2C1 252871625 OTCWMWYBDDMGML-FHWLQOOXSA-N 295.511 4.610 30 10 CJEE CC[C@@H](C)c1ccc(CCCC#N)cc1Br 260422612 INXAIPKBELAUCC-LLVKDONJSA-N 280.209 4.809 30 10 CJEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C(C)C 302446290 WWTDSOBZJQZVKP-GJZGRUSLSA-N 284.230 4.692 30 10 CJEE CC(C)(C)C1CCC(C#N)(c2ncccc2Cl)CC1 311385318 YYROTCFVOCONTF-UHFFFAOYSA-N 276.811 4.733 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1C[C@@H](C)N 312291778 QCTOPWRTWPRYRW-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C=CCCCCCCNc1cccc(OCCC)c1N 312778082 MSUJFFYSVCKDPL-UHFFFAOYSA-N 276.424 4.606 30 10 CJEE C=CCCCCNC(c1ccccc1)c1ccccc1 312862023 ZSFNNELMRXCGFD-UHFFFAOYSA-N 265.400 4.722 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1(COC)CCCC1 312938052 QSZSRVVWMGETEA-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE CCCCCCCC(=O)[C@H]1CCC2(CCCCC2)C1=O 313009204 OAKYKDYCCBGJRQ-OAHLLOKOSA-N 278.436 4.846 30 10 CJEE C=C(CC)CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 313502342 RYVSMTXLZWHKPT-KBAYOESNSA-N 257.421 4.515 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCCCC2(F)F)C1 317254543 DUQAGVRCVMDPSW-RBSFLKMASA-N 272.379 4.988 30 10 CJEE CC[C@H]1CCC[C@](C=O)([C@H]2CCC[C@@H](CC)C2)C1 317278988 IQWYMWWEWXCOMG-QZWWFDLISA-N 250.426 4.988 30 10 CJEE C#CCCC[C@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317778401 DNEOKVMOFJVYDL-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](NCCC)C(C)(C)SC 327510018 QPKXLCSLYRLTET-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cnc2ccccc2c1 380020201 TZUPXTGGBYCFPH-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@@H](CCCCOC)NCC 382355560 HRRULOROBZZOOS-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=CCCCCCCNc1ccc(Cl)cc1C#N 385033246 HPXICLFHDBEKPM-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE N#CC1([C@]2(O)CCCC23CCCC3)CCCCCCC1 392945192 TZMOFTAKGNJKFG-SFHVURJKSA-N 275.436 4.716 30 10 CJEE Cc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 575341070 ZRGJXHSPZBCZGI-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@H](N)c1ccc(C)c(C(F)(F)F)c1 686689721 MBNXKZCSCZOAFZ-HNNXBMFYSA-N 283.337 4.597 30 10 CJEE C#CCCCCC[C@@]1(CNC(C)(C)C)CC[C@H](C)C1 686702162 CLEODOIKEZDJHW-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE CCc1cccc(C)c1N=C1NC2(CCCC2)CCS1 687323218 KSPJRBHSHZVECN-UHFFFAOYSA-N 288.460 4.584 30 10 CJEE CCCCCCCC[C@H](CCCOC(C)C)NC 689543370 KZIWTPZWXMABBB-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CC[C@H]1CCCCC[C@]1(C#N)Nc1ccc(C)cc1 691072705 CUZIRFOGLYFRBT-DOTOQJQBSA-N 256.393 4.660 30 10 CJEE CCc1ccc(NCc2ccc(C#N)cc2C)cc1Cl 691231438 VLNQWEFALUBNPO-UHFFFAOYSA-N 284.790 4.695 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)c1ccccc1 696329657 FMHWAAYVFSKRCA-ROUUACIJSA-N 277.452 4.578 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccsc1Br 698672694 CEFOQJBWQSTXPY-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cnc(C2CC2)s1 699855401 QVKQZKRNFCLCAS-CQSZACIVSA-N 295.496 4.666 30 10 CJEE CCCCCCCCC(=O)c1ccc(COC)cc1 703437282 KVHSGGIBHHGVRK-UHFFFAOYSA-N 262.393 4.766 30 10 CJEE CCCCCCCCCCNC(=O)N[C@H](C)CCC 703822150 OMSKSJZWHWHFBC-OAHLLOKOSA-N 270.461 4.615 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)cn1)NCC 703908997 ZJNYQKQMWPNZRV-OAHLLOKOSA-N 282.859 4.616 30 10 CJEE C=CCCC(C)(C)CNc1cccc(SC)c1C#N 704033385 WPAKPLZUJPFNAQ-UHFFFAOYSA-N 274.433 4.684 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)CCCC(C)C)CC1 707433514 CZRQOLYHNCUOBE-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE CC(C)CC1(CN[C@H](C)CC(C)(C)C#N)CCCC1 709958774 DNKLGIVCMGJMFL-OAHLLOKOSA-N 264.457 4.511 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cc(F)ccc2s1 715813131 JDDPYPQIEYRHBW-ZBEGNZNMSA-N 277.408 4.903 30 10 CJEE CCCCCCCCCC[C@@]1(O)COC[C@@H]1CC(C)C 716319095 ODABLQKSDWOUND-ZWKOTPCHSA-N 284.484 4.941 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716532166 CUVNRDJBHMLKRH-NXOAAHMSSA-N 297.552 4.727 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)C)C[C@@H](C)CO1 718548994 FTHKGPBJSPGMDD-SJORKVTESA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 724557263 CPZGTDYMHZYNNB-MKXGPGLRSA-N 275.480 4.927 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1nccs1)c1ccccc1 883326917 MSGFITWMNYVFSE-GOEBONIOSA-N 286.444 4.891 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(OC2CCCC2)c1 1124805700 IPEGEADBGKWOTC-CQSZACIVSA-N 287.403 4.549 30 10 CJEE C=CCCCNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C 1128604624 QNSBMULQESBIIE-UHFFFAOYSA-N 299.458 4.732 30 10 CJEE 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C=C(C)c1cccc(NC(=O)NCC[C@H]2CC=CCC2)c1 1311297856 GWTBTIGPQOQMJL-HNNXBMFYSA-N 284.403 4.588 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 1356089098 BSMFBHGSTJICGK-GFCCVEGCSA-N 295.810 4.668 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)O[C@H](CC)C1 1459520649 XWHCDYWFGVCYEG-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE CC#CCN(C)Cc1cccc(Oc2ccc(Cl)cc2)c1 1460176887 GZFMTHVKEOKOFR-UHFFFAOYSA-N 299.801 4.587 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCC[C@H](OC)CC1 1462150829 PJAQTJPACJKONJ-SJORKVTESA-N 273.420 4.565 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CCc1ccccc1)C(F)F 1462560179 AOXFCQWQDQCFOX-INIZCTEOSA-N 295.417 4.835 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccc(F)cc2C)C1 1462568480 VQOFTYNDXAPGGF-FMKPAKJESA-N 261.384 4.530 30 10 CJEE C#CCCCCCCN1CC[C@H](C(C)(C)C)C[C@H]1C 1473519196 JJUSGNKPYUGVGK-SJORKVTESA-N 263.469 4.717 30 10 CJEE C=CCC[C@H](CC)NC[C@@H](c1ccccc1)C1CC1 1474546189 XMZPVRQBQXLFTH-ROUUACIJSA-N 257.421 4.515 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cc2[nH]ccc2cc1C 1476416287 OXJRTQNBKPJDMV-UHFFFAOYSA-N 299.418 4.590 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1524211591 ACVHXICPLXNQIC-DJJJIMSYSA-N 299.389 4.758 30 10 CJEE C=CCc1cc(OC)ccc1OC(=O)[C@H](CC)CCCC 1524510453 KSCQHJNHMBUHPZ-CQSZACIVSA-N 290.403 4.546 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C(C)(C)C)C2)CCCCC1 1524614217 GGLFZWRVMYIHPG-MRXNPFEDSA-N 291.479 4.798 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CCCCC1 1539827176 XHLSFEJJBJYRLR-IRXDYDNUSA-N 299.458 4.821 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 1540702551 QMYLPKIEUGWTMO-RDTXWAMCSA-N 287.447 4.980 30 10 CJEE C=CCCCCCCCNC(=O)c1cc2cc(C)ccc2[nH]1 1556898445 IGWXYJYMCZIKJV-UHFFFAOYSA-N 298.430 4.733 30 10 CJEE CCC[C@@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 1559212128 BRTXXPBMAVFELZ-MNOVXSKESA-N 297.855 4.687 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N 1559235146 KJCMTINRLZKLGG-HOCLYGCPSA-N 297.446 4.798 30 10 CJEE C#CCN(CCCC1CCCC1)[C@H]1CCc2ccccc21 1559499420 TWDFEGVEJPKNQD-FQEVSTJZSA-N 281.443 4.580 30 10 CJEE C=C(C)CCN(Cc1ccc(C)o1)c1ccc(F)cc1 1559607508 OCTNAWWVDXBFBL-UHFFFAOYSA-N 273.351 4.700 30 10 CJEE C=CCN(CCc1ccco1)[C@H](C)c1c(C)cc(C)cc1C 1559689645 TYIMQUWVLLQOEZ-GOSISDBHSA-N 297.442 4.997 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(SC)cc2)cc1 1614825974 RFGCKNNRWSUQOX-UHFFFAOYSA-N 296.435 4.987 30 10 CJEE C=C(CC(C)C)C(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 1632019209 BFHLKRZRLFXASY-GOSISDBHSA-N 295.426 4.509 30 10 CJEE C=CCC[C@@H](Nc1nc(C(C)C)ns1)c1ccccc1 1639670892 WGCLDXSYZSEXHF-CQSZACIVSA-N 287.432 4.781 30 10 CJEE C=CCCN[C@H](C)c1ccccc1Oc1ccccc1 1642556883 VQFFOBDEUWVBTP-OAHLLOKOSA-N 267.372 4.706 30 10 CJEE CCC1(CC)CCC(Nc2ccc(Cl)c(C#N)n2)CC1 1651027114 FUGCZEMECSBLRM-UHFFFAOYSA-N 291.826 4.768 30 10 CJEE C=CCC1(NC[C@@H]2CCC3(CCCCCC3)O2)CCCC1 1654249197 JDBHEUMVXKNEAN-KRWDZBQOSA-N 291.479 4.737 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1C[C@@H]1c1ccccc1 1657625300 CKHUCMYBHKLHQV-FUHWJXTLSA-N 283.440 4.540 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCCC(C)C 1658532998 BDCSHQPUSMRVNB-GVDBMIGSSA-N 251.458 4.926 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ZQKDTIYUFIKCJZ-ULQDDVLXSA-N 250.426 4.700 30 10 CJEE C=CCCC[C@H](NCCC)c1sccc1OCC 2085743697 LZJRZNBBMLAVLP-ZDUSSCGKSA-N 267.438 4.544 30 10 CJEE C=CCCCCCC[C@@H](N)C1(F)CC2(CCC2)C1 2085847763 SBSBMYMGQIBAEB-CQSZACIVSA-N 253.405 4.513 30 10 CJEE CCCCC#CC[C@@H](CC[C@@H](C)CCCC)NC 2086047849 QEKQFPVKCTXRSR-IRXDYDNUSA-N 251.458 4.765 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@]12CC[C@H]1C2 2086281419 VGQTVMDHWGWERB-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)c1sccc1Cl 2086299818 CKUBAYVQWKIDDM-CHWSQXEVSA-N 289.872 4.513 30 10 CJEE CCCCCCCCCCC(=O)C(C)(C)CN(C)C 2092368654 KMHHECDQSLCSAK-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2092719639 MJNZQZWBKTXCMG-XDNAFOTISA-N 265.485 4.887 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(C2CC2)n1 2092749203 PDYXIIBVWWBWBV-HIFRSBDPSA-N 256.393 4.506 30 10 CJEE C#CCCCCC[C@]1(CNCCC)CCCC1(C)C 2093013158 CWLQCKPAZWKHOZ-GOSISDBHSA-N 263.469 4.766 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C(F)(F)C12CCC2 2093477605 VFDQECHQDDDCCI-KBPBESRZSA-N 273.411 4.890 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](CC)CCOC 2095653112 ZMCHZKUUEUXAIV-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE C=C([C@@H](Cc1cccc(C)c1)NCCC)C(C)(C)C 2096621909 REFURVWZCKNKGG-QGZVFWFLSA-N 259.437 4.508 30 10 CJEE C=C([C@@H](NCC)c1coc2ccccc12)C(C)(C)C 2096626538 AOZQEIYHYXZLDJ-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)[C@@H](C)CC(C)C)CC1 2097629610 AOCVFVFCZAWFOF-ORBLRFAASA-N 265.441 4.530 30 10 CJEE CC(C)(C)C[C@@](C)(O)[C@]1(C#N)CCCC(C)(C)CC1 2100873929 OUPZCKHBKKBDBR-IAGOWNOFSA-N 265.441 4.674 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@@H]3C[C@H]32)CC1 2101770755 KBGMKTBDVCKZOE-TVFCKZIOSA-N 261.453 4.537 30 10 CJEE CC[C@@H]1CCC[C@@H](N(C)[C@H](C)CC(C)(C)C#N)CC1 2103248958 PQRGHWXNCRLZJT-BZUAXINKSA-N 264.457 4.605 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@]1(C)C(F)(F)F 2105508982 IVRZLFCOSVEHFO-RDBSUJKOSA-N 279.390 4.914 30 10 CJEE CCCCCCCCC(=O)c1cccc2c1NCC2 2107698865 AIOMPWOJKBVZJE-UHFFFAOYSA-N 259.393 4.588 30 10 CJEE CCCCCCCCC(=O)c1ccn(C2CCC2)n1 2107824691 UWCPYFCNDXGOAB-UHFFFAOYSA-N 262.397 4.541 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ncc(C(F)(F)F)s1 2107999648 VEEUIWBJRWRBDV-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE Cc1ccc([C@H](C)N(C)CC2(C#N)CCCCC2)s1 2109989692 RCDJQNYTOHBFFE-AWEZNQCLSA-N 276.449 4.523 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2CCCC2(F)F)CC1 2110393167 VAPNWWOAUQWMDJ-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)[C@@H]1CCCC[C@H]1CC 2111313232 MEUDSHOKSWYSOK-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CC1(C[C@@H](NCCC)c2ccc(OC)s2)CCC1 2111719823 FMMDTBGWUCEFEV-CYBMUJFWSA-N 279.449 4.544 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2112232645 VGDPQSPHYHRPIN-XPCVCDNBSA-N 267.363 4.778 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C2CCC2)c1 2116482970 VNTLRNSDADELIL-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cccc(C2(C)CC2)c1 2116657976 KICRTNRDXCEEEM-YOEHRIQHSA-N 257.421 4.601 30 10 CJEE C=C[C@@H](C)C[C@@H](CCC=Cc1ccccc1)NCC 2116658824 SQXWAEYPYZPQMV-SJLPKXTDSA-N 257.421 4.670 30 10 CJEE C=CCCCC[C@@](C)(N)c1cccc2ccccc12 2123088266 IIWSZTVDZUQZOV-GOSISDBHSA-N 253.389 4.760 30 10 CJEE C=C1CC(C[C@@H](NCC)c2cc(F)c(Cl)cc2F)C1 2125735687 MRZAOUYDGHFRBK-OAHLLOKOSA-N 285.765 4.625 30 10 CJEE CCCCCCCCC[C@H](N)CCCOCC1CC1 2128356442 WHYMORCYILKRJA-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](O)c1c(C)ccnc1C 2129865326 ODXZMFUTRAVFEB-INIZCTEOSA-N 263.425 4.873 30 10 CJEE O=C(C1=CCC(F)(F)CC1)c1scc2c1CCCC2 2130582867 MPLPZMFIOFTZRI-UHFFFAOYSA-N 282.355 4.555 30 10 CJEE CCCCCCCCCNC[C@H]1CC12CC(F)(F)C2 2132872966 ROFCUTZNZGJZJI-CQSZACIVSA-N 273.411 4.762 30 10 CJEE CCCCCCCCCCN[C@H]1CO[C@](C)(CC)C1 2132902329 OVYZWUADHDJDGT-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE N#C[C@@]1(C[C@@H]2C3C[C@@H]4C2[C@@H]4C3)CCCCC12CCC2 2134661664 SWKMDSRFHFWNSD-RVKUGGTQSA-N 255.405 4.533 30 10 CJEE CCC(CC)(CS)COC[C@H]1C[C@@H]1c1ccccc1 2135934219 WEHPALVSJHVZAW-HZPDHXFCSA-N 278.461 4.543 30 10 CJEE CCCCCC#CCNc1ccccc1C1(C)CC1 2138955297 XJTVFCKLKDGDCK-UHFFFAOYSA-N 255.405 4.734 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H](C)C1CCCCC1 2138963660 NXJUJLQCRNPOCM-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@@]1(CNCC(C)C)CC[C@@H](C)C1 2138992923 FEMALVNWSMAGCI-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE CCCCCC#CC[C@H](CC1CCCCCC1)NC 2139001870 MLOIJXVOILFZEY-GOSISDBHSA-N 263.469 4.909 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cc2sccc2s1 2140590748 ZRBDQVABMKTUMO-LLVKDONJSA-N 288.372 4.779 30 10 CJEE CCCCC[C@@H](CC)OCc1ccc(C#N)cc1F 2142460476 FJKXZEITFOLNOE-OAHLLOKOSA-N 263.356 4.573 30 10 CJEE CCSc1cccc(N[C@H]2C[C@H]2C2CCCC2)c1C#N 2145104668 CTWTZWDJDUHRAE-BBRMVZONSA-N 286.444 4.661 30 10 CJEE CCC[C@@H]1CCC[C@@](O)(C(=O)C2=CCCCCC2)CC1 2147189154 RYTIZFHCCNOIGS-QAPCUYQASA-N 278.436 4.558 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](C)(O)c1cccs1 2148588762 HWWRWINHNPLLRD-DOTOQJQBSA-N 297.508 4.684 30 10 CJEE CCCCCCC[C@H](NC)[C@@]1(O)CCCC(C)(C)CC1 2148590802 VVJOVBGXXYSGGN-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1ccsc1C 2148626050 RAXVICRGEXPKBB-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccnn1C1CC1 2149655923 LWMNPKOTAKWJMF-MRXNPFEDSA-N 277.456 4.619 30 10 CJEE C[C@H]1CC[C@](CC#CC2CCCCC2)(CNC2CC2)C1 2149856898 CIOLFYCOBUPSBE-LPHOPBHVSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](N)c1csc2ccccc12 2150856483 NBHGFSXAGHUJCZ-WBVHZDCISA-N 291.460 4.623 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@H]2CCC)CC1 2152960079 GHJYHEMMJTXKPA-FPQWYMTMSA-N 277.452 4.818 30 10 CJEE C=C([C@H](C[C@H]1OCCCC1(C)C)NCCC)C(C)(C)C 2154766385 OPJZCGDDDVGOAQ-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CC1(C)CCC[C@](C#N)(C2(O)CC3(CCCC3)C2)CC1 2157092407 SCHZXSRHDXFLQB-KRWDZBQOSA-N 275.436 4.572 30 10 CJEE C[C@@H]1CC[C@H]([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)C1 2157902357 DOCWINBZZHBEPA-VXEMLPKJSA-N 277.452 4.530 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](O)(CC)C2CCCCC2)C1 2158440194 BDYQZCFXVCXHSK-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(C(F)(F)F)cc1 2158696291 YDJRGCSINHLVGB-HIFRSBDPSA-N 283.337 4.712 30 10 CJEE CC(C)[C@H]1SC(=NCC(C)(C)C2CCCCC2)N[C@@H]1C 2159238297 MITLOBGWNSFYPZ-UKRRQHHQSA-N 296.524 4.698 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2COCC[C@H]2C1 2159581659 VMCGNXPVBLYSIJ-MLHJIOFPSA-N 282.468 4.551 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncoc1C(F)(F)F 2160246032 FORVQLXMLSVIOS-LLVKDONJSA-N 293.329 4.868 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CC12CCC(F)(F)CC2 2163398247 HNIJARWFOWDJHS-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)C1CCC(C(C)(C)C)CC1 2164469074 FXUDKHCTCJZNOC-IOTAOYMUSA-N 279.468 4.920 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc2ncccc2c1 2164472059 JAGRYOMHQQUTMN-SFHVURJKSA-N 269.388 4.563 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@]1(O)CCCCCCC1(F)F 2164476873 DTTPJVXAIYUJMU-CABCVRRESA-N 287.394 4.817 30 10 CJEE CCCCCCCCCCCCN(CCN)[C@@H]1C[C@@H]1C 2167107896 ZPCPBPIAFLFGRZ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(C(F)(F)F)cn1 2167448425 WGUIUXAVYSBYSG-CQSZACIVSA-N 288.357 4.635 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C(C)(F)F)cn1 2167452802 DPUIWYPBGKPILP-OAHLLOKOSA-N 285.378 4.977 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@]2(C)CCCC2(F)F)CCC1 2168032014 VYIFCTUMKVZDBQ-CABCVRRESA-N 285.422 4.927 30 10 CJEE CCCN[C@H](CCC#CC(C)(C)C)c1ccc(C)cc1 2169615992 SBDFHGZPAUGYJH-GOSISDBHSA-N 271.448 4.865 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C(C)(C)C)nc1 2170369662 VUWJEKIGJZDWCD-YOEHRIQHSA-N 274.452 4.632 30 10 CJEE N#CC1(CN2CCCC[C@@H]2C2CCCCC2)CCCC1 2171663573 DSWLIRPZPQIOBC-QGZVFWFLSA-N 274.452 4.505 30 10 CJEE Cc1cccc([C@@H](O)C[C@]2(C#N)CCCCC2(C)C)c1 2173640096 SEUFBLXNKJUTLW-WMZOPIPTSA-N 271.404 4.529 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](N)[C@]12CCCC2(C)C 2173653606 YPVPYQCNAADULC-LZLYRXPVSA-N 281.484 4.660 30 10 CJEE O=C(C=C1CCCCC1)c1cc(F)ccc1C(F)(F)F 2177045577 ACEJMTOXVVSFNY-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc3sncc3c2)CC1 2177175028 PCQCGAVAWOKKDK-INIZCTEOSA-N 286.444 4.693 30 10 CJEE COc1cccc(C(=O)C2=CC[C@@H](C(C)C)CC2)c1C 2181633660 BNUWQOUXEVWPLM-CQSZACIVSA-N 272.388 4.569 30 10 CJEE CCCCCCCCCCC[C@H](O)c1ccnc(C)n1 2184291825 SLLDXKWFUPPTNC-KRWDZBQOSA-N 278.440 4.739 30 10 CJEE CC[C@@H]1NC(=NCCC23CCC(CC2)CC3)S[C@@H]1CC 2184899992 PTYKONFSZMXJNL-KRIMKBQASA-N 294.508 4.597 30 10 CJEE CC[C@H]1C[C@H](C)SC(=NCCC23CCC(CC2)CC3)N1 2184900119 RLCZIDMCJKMHOZ-BOLLXYOYSA-N 294.508 4.597 30 10 CJEE C=C1CCC(C[C@@H](NC)C(F)(F)C2CCCCC2)CC1 2185230642 MQBMWIFRBQNOFF-MRXNPFEDSA-N 285.422 4.927 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@H]2C[C@H]1C[C@]2(C)OC 2185286754 YRHMQJMPWNZZTP-VSZNYVQBSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCc1nc(O)c2c(n1)[C@H](C)CC2 2187986251 VWNDYKSAOAMYOT-CYBMUJFWSA-N 276.424 4.525 30 10 CJEE CC1(C)CC[C@]1(C=O)CC1(c2ccccc2)CCCC1 2188511362 UOYAWXHQDMXPKV-LJQANCHMSA-N 270.416 4.894 30 10 CJEE CC(C)(C)C1CC(C[C@@]2(C#N)CCOC23CCCC3)C1 2190321320 RQSLRNZTMOSNSU-VMBOVVBDSA-N 275.436 4.692 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)C[C@H]1C[C@@H]1CC 2191487772 JIGALQXMRKMURT-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H](C)C(F)(F)F)NN 2191511725 NBVFHWHJLLOPIQ-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE CC#CCCC[C@H](NCC)c1cc2c(s1)CCCCC2 2194059649 QOJUOUDKVSPJAR-INIZCTEOSA-N 289.488 4.861 30 10 CJEE CC#CCCC[C@H](NCCC)C12CCC(CC1)C2(C)C 2194062703 GNGCECHPWVOQME-HFCFLWKCSA-N 275.480 4.765 30 10 CJEE CC(C)c1cccc(N=C2N[C@]3(CC[C@H](C)C3)CS2)c1 2194661261 KUXPNGRYOOBIEQ-GUYCJALGSA-N 288.460 4.693 30 10 CJEE CCCCN(C[C@@H](C#N)C(F)(F)F)C1CCCCCC1 2197121282 ZQPDGUILZQSQCH-CYBMUJFWSA-N 290.373 4.513 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1c(C)oc(C)c1C 2197137261 MLWUZCYEDNGUNB-SFHVURJKSA-N 269.388 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2197138238 UXTOPPPVGSNORL-HCXYKTFWSA-N 269.432 4.634 30 10 CJEE CCC(=NO)c1cccc(O[C@H]2CCCC[C@H]2CC)c1 2197420710 WHPFTDUPXXVBCR-DYVFJYSZSA-N 275.392 4.623 30 10 CJEE Cc1cc(N[C@H]2C[C@H]2C2CCCCCC2)ccc1C#N 2200176663 DVNZWOJCSGJZJE-ROUUACIJSA-N 268.404 4.638 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ccc(C)c(F)c1 2203788037 TZTPVYMPRMFDFT-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C#CCCC[C@@H](NCC)c1ccc(-c2ccccc2)s1 2206185781 CWKPPICZZSBJJG-MRXNPFEDSA-N 283.440 4.869 30 10 CJEE Cc1cc([N+](=O)[O-])c([C@@]2(C#N)CCC[C@H](C)C2)cc1Cl 2206597198 VDLUWLIUIQSLOU-BONVTDFDSA-N 292.766 4.528 30 10 CJEE C=CCCCCCCN1CCOc2ccccc2[C@H]1C 2206894732 MUTOSCQKZZJJAY-MRXNPFEDSA-N 273.420 4.579 30 10 CJEE C=CCCCCCC[C@@](C)(O)c1cc(F)c(F)c(F)c1 2206899548 MHCGQGSMLVYLAC-MRXNPFEDSA-N 286.337 4.838 30 10 CJEE C=CCCCCCC[C@H](NN)c1cccc(C(F)F)c1 2206903209 QDYRUJIAGJGQBI-HNNXBMFYSA-N 282.378 4.655 30 10 CJEE C=CCCCCCCCCC(=O)[C@@](C)(O)CCC(F)F 2207379299 YPEAAXMZSDLTHD-INIZCTEOSA-N 290.394 4.659 30 10 CJEE C=CCCCCCCCCC(=O)c1cc(N)cc(F)c1 2207396830 OECNABJQICPCER-UHFFFAOYSA-N 277.383 4.897 30 10 CJEE C=CCCCCCCCCO[C@@H]1C[C@H](C)CC[C@@H]1NC 2207397269 RVAMDPRTZYACDM-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](C[C@@H]1CO[C@H](C)C1)NC 2207404032 QYRDYYURUGHPPU-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@]1(CC)CCCCO1 2207415505 SBIIZDRGKDEPMU-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(N)CC[C@H](C)C1 2207438753 SJWIFNYLYHCFRS-WMZOPIPTSA-N 279.468 4.770 30 10 CJEE CCCCCCCCCNCCCOCc1ccco1 2207443833 DQVGZCOBAFDWKR-UHFFFAOYSA-N 281.440 4.527 30 10 CJEE CCCCCCCC[S@@](=N)(=O)CCCC1CC1 2214547922 WYAKADSWQJYLNX-QGZVFWFLSA-N 259.459 4.584 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C(CC)(CC)CC 2218433176 UTUHECZFKCDZLU-HNNXBMFYSA-N 251.458 4.621 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)C1(F)CC1 2220083264 OMDWDMJODFEVPF-OAHLLOKOSA-N 255.421 4.773 30 10 CJEE CC1=CC[C@](C)(Nc2ccc(Cl)cc2C#N)CC1 2221607456 PCRMTJDFFYGSKD-HNNXBMFYSA-N 260.768 4.512 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CCC(F)(F)C1 2222455443 NWSCHXUICMWJOK-GFCCVEGCSA-N 280.424 4.707 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCCC1(F)F 2223847662 HEPFMLIHQFPQLA-KGLIPLIRSA-N 261.400 4.903 30 10 CJEE CCCCCCCOc1c(C)sc(CNCC)c1C 2226512948 SUVULCGQKOVFDN-UHFFFAOYSA-N 283.481 4.824 30 10 CJEE C=CCCCCCCC[C@H](N)c1csc(C2CC2)n1 2227271904 MQMZHRVZGBKWAF-AWEZNQCLSA-N 278.465 4.937 30 10 CJEE C=CCCCCCCCOc1c(Cl)cccc1CN 2227275891 ZEIDYEGVZABESC-UHFFFAOYSA-N 281.827 4.704 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(C)c(C)n1 2227277189 WUQNVVLVINMSLG-INIZCTEOSA-N 260.425 4.615 30 10 CJEE CCCCCCCC[C@H](O)c1ncccc1C1CC1 2228798812 QOZZCCJIWSGHFZ-INIZCTEOSA-N 261.409 4.743 30 10 CJEE C=C(C[C@@H](NCCC)[C@H]1CC[C@H](CCC)CC1)OC 2229877206 SWXJLEODLWJTNF-BRWVUGGUSA-N 267.457 4.511 30 10 CJEE CCCCCCCCCC[C@]1(O)CC[C@H]2[C@@H]1C2(F)F 2230356743 QBKGMIJEDWFTSS-KKUMJFAQSA-N 274.395 4.923 30 10 CJEE CCCCCCCCCO[C@@H](C)[C@H](C)CNC(C)C 2230991875 HBVMFHKNCSZNTD-SJORKVTESA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCCO[C@H](CC)C(=O)O 2231080711 UZOXXEYXDHSUCX-OAHLLOKOSA-N 272.429 4.787 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@H]1CC[C@@H]1OC 2231898082 FIGQXOXOOMLQCI-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@](C)(O)CCC[C@H]1CCCO1 2231902489 RTZMKLXGOWPSJS-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](C)NCc1ccncc1C 2231926079 QRVQEZZBZBSHAJ-INIZCTEOSA-N 262.441 4.619 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CC(C)(C)CO1 2231931145 UTHHBEBEBOZLGH-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(P(C)(C)=O)CC1 2231932168 HVNHCPXPMLRHQK-OAHLLOKOSA-N 287.428 4.870 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@H](C)O[C@H](C)C1 2231934618 JXRQKYAWQGAUBY-WCXIOVBPSA-N 269.473 4.671 30 10 CJEE N#Cc1ccc(OC[C@H]2C[C@H]3CCC[C@H](C3)C2)cc1Cl 2233726067 AEMOKCQPQXSCFZ-BTTYYORXSA-N 289.806 4.807 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](OC)C1CCCCC1 2235540084 SUOGAEZNIQZJDK-ROUUACIJSA-N 281.484 4.826 30 10 CJEE CCCCCCCCCOC[C@@H](NCC)C1CC(C)C1 2239440114 ZXEPPGPRNWJTML-DAWZGUTISA-N 283.500 4.778 30 10 CJEE CCCCCCCCCOCCN[C@H](C)c1ccco1 2239493722 WALTVECCZVMHMU-MRXNPFEDSA-N 281.440 4.697 30 10 CJEE CCCCCCCCCCOCc1cnsc1CNC 2239510968 QMZOHIAXTRBOEN-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)[C@H](CC)C(C)C 2239569613 RUJFOSWTPUPRHO-MSOLQXFVSA-N 291.866 4.742 30 10 CJEE CCCCCCCC[C@](C)(O)C1(C(=O)O)CCCCC1 2240620755 YFJZUMPLRCMELE-INIZCTEOSA-N 284.440 4.523 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCC)C(C)=C(C)C 2240667815 ZOQJBYQPETZNKR-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1(CS)CCCCCC1 2241071009 LCLQGHRBGGNXPB-IXDOHACOSA-N 295.536 4.910 30 10 CJEE CCC[C@H](C)[C@@H](C#N)c1ccc(Br)c(F)c1 2244566024 GUWWNOXBOAYRFF-GXSJLCMTSA-N 284.172 4.632 30 10 CJEE CC(C)CCC[C@H](C)CCOCC(C)(C)CS 2248820997 FWVUEFCXVRXKPZ-AWEZNQCLSA-N 260.487 4.812 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(Br)c(C)c1 2250130691 VHUOSNNCCIHRIE-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE O[C@H](CC#CC1CCCC1)c1scc(Cl)c1Cl 2251485925 YZHBKEYQXVQNTJ-LLVKDONJSA-N 289.227 4.672 30 10 CJEE CCCCCC#CCOc1cccc(C)c1Br 2253031955 RUDMIXMMPKSYOK-UHFFFAOYSA-N 295.220 4.720 30 10 CJEE C[C@@H]1CC[C@H](CSc2cc(Cl)c(F)cc2C#N)C1 2256676703 YWSUANZKPRYUIY-ZJUUUORDSA-N 283.799 4.879 30 10 CJEE CCCCCCCC[C@](C)(CC(C)C)OCCN 2262551173 PGHCCTRGZNUGER-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(N)C#CC(C)(C)C 2263668457 DDOVTPYWJOMURE-QGZVFWFLSA-N 251.458 4.894 30 10 CJEE C=CC[C@@H](C)Oc1sc(CN[C@H](C)CC)c(C)c1C 2265937345 WEPLYVVAIJVSDY-VXGBXAGGSA-N 281.465 4.596 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1(C(C)(C)C)CCC1 2268817043 KJMYWRAQSICWMB-OAHLLOKOSA-N 261.453 4.526 30 10 CJEE CO[C@H](CS[C@H]1CCCCC[C@H]1C#N)CC(C)(C)C 2271685558 YTNVLZLRXSMXFZ-KKUMJFAQSA-N 283.481 4.643 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2274001942 WXUCZDZFHQXNHD-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE C=CCCCCCC[C@H](OCCCN)c1cccs1 2276145690 RBGWPQXEMWPJFY-HNNXBMFYSA-N 281.465 4.681 30 10 CJEE C=CC[C@@H](C)[C@](C)(CCCCCCCC)OCCN 2277384467 QQQJMQIAEGSYNV-SJORKVTESA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@H](C)n1cc(N)c(CC)n1 2278170414 BCLRLNOPGOWNOG-AWEZNQCLSA-N 265.445 4.729 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1SC[C@@H]1CC12CCC2 2279976188 FUDJSVKFHLNTDW-LBPRGKRZSA-N 297.345 4.859 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1ccc(CCC)cc1 2283482166 JEYUWSQJWOMGMA-GOSISDBHSA-N 271.448 4.729 30 10 CJEE CC(C)(C)C#CC=CCC1(O)CCC(C(C)(C)C)CC1 2284071360 RTXZTZCQQDPEAS-UHFFFAOYSA-N 276.464 4.950 30 10 CJEE CC(C)c1ccccc1[C@H](N)CC=CC#CC(C)(C)C 2284109942 PGODZYOHGSYKFX-GOSISDBHSA-N 269.432 4.806 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C1C[C@H]2CCC[C@H](C1)C2 2284178856 FKMUCJHSOJKLAO-BQFCYCMXSA-N 274.448 4.560 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1CC2(C1)CC2(F)F 2287465508 AJLTYQHPWJLFPM-PCKAHOCUSA-N 285.422 4.927 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1ccccc1C 2289716280 FAFLUOCZJFGLKY-LJQANCHMSA-N 269.432 4.619 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H](CC)CC(F)(F)F 2289782912 DTEQGJBVPFLMEW-HUUCEWRRSA-N 289.385 4.527 30 10 CJEE C(#CC1CCCC1)CN[C@@H]1CCCC2(CCCCC2)C1 2289848012 OZXHZYAOVJZGBU-GOSISDBHSA-N 273.464 4.663 30 10 CJEE CCCCCCCCC[C@H](C=C1CCC1)OCC(=O)O 2291259771 JHEQDADYDBKAHF-MRXNPFEDSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@@H]1CC=CCC1 2292640306 BCEZBKCJMOFCBC-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=CCCC[C@@H](OCCN)C1CCC(C(C)(C)C)CC1 2292727993 STWQOVMQJQWYCQ-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCN)c1sc(C)nc1C 2292949569 SWBNDFKDINSUJD-HNNXBMFYSA-N 298.496 4.527 30 10 CJEE CCCCCCC[C@](C)(CCCC(C)(F)F)OCCN 2293505045 PNEAEWUXNNLJJL-OAHLLOKOSA-N 293.442 4.906 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)c1ccc(Cl)cc1C 2293909621 LNAMKNYILUUKFP-CXAGYDPISA-N 295.854 4.657 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1CCC1(C)C 2294255551 ISDIQXHFWCPRBX-SJORKVTESA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@H](OCCCN)[C@H]1CCCC(C)(C)C1 2294404727 WATHHTXFNDCITP-DLBZAZTESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1=CC[C@H](C)CC1 2294429158 ZRMOXUIHKJURIY-WMZOPIPTSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCCC1(F)F 2294596361 BAEGCFJIZBJDMP-HNNXBMFYSA-N 291.426 4.660 30 10 CJEE C[C@@H]1CC(=O)C=C(c2ccccc2-c2ccccc2)C1 2294714402 ZDCZRVXRXFOMSU-AWEZNQCLSA-N 262.352 4.736 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@H]1CC12CC2 2295600493 CUFDELMNZHPYHY-WBVHZDCISA-N 280.452 4.637 30 10 CJEE O=C(C=Cc1ccsc1)c1cccc(-c2ccncc2)c1 2297634795 RRCVJNCRXZMJNA-UHFFFAOYSA-N 291.375 4.706 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2302853048 UDFWQYXTQUPQSU-QMTHXVAHSA-N 270.203 4.529 30 10 CJEE C=C1CC(C[C@@H](O)c2cc(F)c(Cl)cc2Cl)C1 2306250403 AKUMRDSMYFFUJX-CYBMUJFWSA-N 275.150 4.522 30 10 CJEE CC(C)C1CCC(C=O)([C@@H](C)CC2CCC2)CC1 2313673369 QHTDXLGNLSBYHK-OOHWJJMZSA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)Sc1sc(CNC2CCC2)cc1C 2313701100 GMCOULZBHAENQK-LBPRGKRZSA-N 281.490 4.755 30 10 CJEE CCCCCCCCCOCC[C@@H](N)CC(C)C 2317712381 YVHYCPKMISGCHO-MRXNPFEDSA-N 257.462 4.517 30 10 CJEE CCCCCC#CCC(=O)c1cc(OC)c(Cl)s1 2317952727 IFEYYEJJQOCVLY-UHFFFAOYSA-N 284.808 4.567 30 10 CJEE C=C[C@H](C)C[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2319568226 SKJVYTDZRRWLAA-UFBFGSQYSA-N 278.701 4.604 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@@H]1C[C@@H]1C)NCCC 2321101726 LKDMBSKOWPVQTJ-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc2cccc(Cl)c2o1 2321223724 ODUYYPCZWDLTKB-CQSZACIVSA-N 264.752 4.722 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2327363385 BUSMFYXSGIJWKD-OTYXRUKQSA-N 290.209 4.995 30 10 CJEE Cc1c(Cl)ccc([C@H](C)C2(C=O)CC=CC2)c1Cl 2327979977 ZRMBPOOIGVMKHJ-NSHDSACASA-N 283.198 4.941 30 10 CJEE CCC(=NOCCOc1ccc(C)cc1)c1ccc(C)cc1 2330245981 CQXINYRIGOANKO-UHFFFAOYSA-N 297.398 4.513 30 10 CJEE C=CC[C@H](C)S[C@H]1CCCC2(CCC2)[C@H]1NCCC 2335096773 QIZOXWBADFDSNF-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE C=C(F)C[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2335111479 XSZFASGXLSNGJC-AWEZNQCLSA-N 285.790 4.571 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338689374 UINLQCXGUJFBJS-OWLYRPNTSA-N 261.453 4.667 30 10 CJEE C=CCC(CC=C)[C@@H](CC1CC(CC)C1)NCCC 2338731803 DCUFUMFVHLXLJN-LEOMRAHMSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cccc2ccccc12 2338737155 AWTRBKCXGWDVNG-GOSISDBHSA-N 251.373 4.608 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC(C)C)CCC1(C)C 2338745154 UICMIPHDROMAHM-GOSISDBHSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@]1(CC)CC1(F)F 2338746822 KDVIKHXSYFGIBH-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE CN(C[C@@H]1CCC(C)(C)C1)CC1(CS)CCCCC1 2342690380 JBRAMJMESHLWHT-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COCC1(C#N)CCCCC1 2343191390 LZLBEVUFUZSMKE-GJZGRUSLSA-N 263.425 4.549 30 10 CJEE CC(C)c1cccc(C[C@]2(C=O)CCCC[C@H]2C)c1 2343745078 HWOSZXHNGQMXBZ-QAPCUYQASA-N 258.405 4.748 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(F)cc1C(F)(F)F 2344383716 UDYWMDDWDPRAPT-UHFFFAOYSA-N 274.257 4.630 30 10 CJEE C=C1CC(CC[C@@H]2CCC(C)(C)C2)(CNC(C)C)C1 2344877790 PRMRSMCNLSTPNF-INIZCTEOSA-N 263.469 4.927 30 10 CJEE Cc1c(Cl)ccc([C@@](C)(O)C#C[C@H]2CC2(C)C)c1Cl 2353211857 XDVCOBWDJKTKNY-ZBEGNZNMSA-N 297.225 4.559 30 10 CJEE CSc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1C#N 2353828134 USRNUVQRZRNWDF-LALPHHSUSA-N 274.433 4.517 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355842694 FHTQFVWYSBBPGN-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1OC)NCC 2356763047 FMRNIONTCNYCGR-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H]1OC 2358686624 QSTZFCZZDCTMLB-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=C(C)CCCC[C@@H](NN)[C@@H]1C[C@H]1C1CCCCCC1 2359655247 WMGXMMIIBCPXLP-RCCFBDPRSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)[C@@H]1CC12CCC2 2360205972 RUWDAWYQEXOUAX-DLBZAZTESA-N 293.520 4.799 30 10 CJEE C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)cc1 2490059 FTOHGIBHNJQONY-LDADJPATSA-N 271.747 4.655 30 10 CJEE Cc1cc([C@@H](C#N)Nc2cccc(Cl)c2)c(C)s1 49687524 NTKAEYMHCFNLEW-CQSZACIVSA-N 276.792 4.695 30 10 CJEE N#Cc1c(Cl)cccc1Nc1cccc2ncccc12 52908666 ZQEDWELCBBNVQE-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N#C[C@@H](CCOc1cccc(F)c1)c1ccc(Cl)cc1 57685170 WMDRGGMDUOTHJG-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE N#C[C@@H](CCOc1ccccc1F)c1cccc(Cl)c1 57685932 JTCQGDNTBFAMKO-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE COc1ccc([C@H](C#N)[C@H](C)c2ccccc2)cc1Cl 57747040 SVGZODNZVCFFTO-IUODEOHRSA-N 285.774 4.759 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(F)c(F)c1 59134404 XAGRWYNZSRLSNM-CYBMUJFWSA-N 269.379 4.976 30 10 CJEE SC[C@H](CSc1cccs1)c1ccccc1 87096607 BKURSDXBAGBNMT-GFCCVEGCSA-N 266.456 4.554 30 10 CJEE CCC1CCC(C#N)(Cc2cc(F)ccc2F)CC1 87933691 OXSPYVWTHWLGPD-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE CC[C@H](C)n1ccc(C[C@]2(C#N)CCC[C@@H](CC)C2)n1 87972641 ITGPSVCMYFGNFB-UXLLHSPISA-N 273.424 4.507 30 10 CJEE CC1CCC(C#N)([C@]2(O)C[C@@H](C)CC[C@@H]2C(C)C)CC1 91875722 MSPWYXOQZLKQTG-MWOZMSIYSA-N 277.452 4.530 30 10 CJEE CC[C@@H]1CC[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91886596 MHKRGKFFGJECQD-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H](C)c1ccccc1Cl 94579708 PMVCHEZZEAAYSM-STQMWFEESA-N 285.884 4.535 30 10 CJEE CC(C)Cc1ccc([C@H](C#N)Nc2ccccc2)cc1 94896902 YNZXBTQTNGTESY-SFHVURJKSA-N 264.372 4.562 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(Br)c1 97208475 CGSNPHVHGPANRN-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(C)c(C)c1)NCCC 97208670 WOYRMNCHCPRDFC-GOSISDBHSA-N 259.437 4.570 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCCc2sccc21 97284262 SEEHCLVHWWSHSB-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE CCC#CC[C@H](C)c1ccc(C(F)(F)F)cc1OC 107476514 KINMYCMVDGQBRF-NSHDSACASA-N 270.294 4.621 30 10 CJEE C[C@@H]1O[C@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579424 GUUZFAXUNKZQBE-VCBZYWHSSA-N 282.383 4.547 30 10 CJEE C#CC[C@H](C)c1c(C)c(Cl)cc(C)c1OCCC 107651352 NTRBKQTVCGZUFJ-NSHDSACASA-N 264.796 4.872 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccccc1F 109705321 ZCOFONLLNNWIGA-MRXNPFEDSA-N 251.389 4.750 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)c1cccc(C)c1 110017018 NPMWLUXJIRJFBG-IBGZPJMESA-N 290.495 4.899 30 10 CJEE CCCCCCCO[C@@H](C)[C@@H](O)c1ccc(CC)cc1 110022298 GHGAMPCHDQBIMQ-MAUKXSAKSA-N 278.436 4.658 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC(CCC)CC1 110026432 XYWCJAZGRIVSIF-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@@H]1NC 110083956 WJLSAVASAACXLR-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCOCc1cc([N+](=O)[O-])ccc1NCC 110100236 NFSXMUORJFLREF-UHFFFAOYSA-N 294.395 4.514 30 10 CJEE CCCCCCCCOCCN[C@@H]1CCCC[C@@H]1C 110239539 FBHANTLJDMPSDJ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)c(Cl)c1 110259900 PCQVWLUGPRTJGV-ABAIWWIYSA-N 263.768 4.559 30 10 CJEE C[C@@H]1CCC[C@@H](SCCCOc2ccc(C#N)cc2)C1 110354840 YXQQKJNUGZJROX-RHSMWYFYSA-N 289.444 4.639 30 10 CJEE CCCCCCCCSc1nc(C)cc(C)c1C(=O)O 111610043 YJTSWJGUARCENR-UHFFFAOYSA-N 295.448 4.849 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccccc1Cl 111817469 RORIXPFYLVOFTN-CQSZACIVSA-N 254.801 4.604 30 10 CJEE CCCCCCCSc1ccc([C@H](C)O)cc1 113367655 BDIZASRLBHEISY-ZDUSSCGKSA-N 252.423 4.802 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC(C)C)NC[C@@H]1C 114064061 MWZVLMDAFQENSS-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1C[C@@](C)(C2CC2)NC[C@@]1(C)CC 114070820 ORTPFVQVSIGDHP-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCSc1cccc(NCCC(C)(C)C)c1C#N 124028986 QSXUYLCCVZFLMQ-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccccc1SC 125732405 VJLGVWHZISDFKT-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE C#Cc1cccc(N[C@H]2CCCc3sc(Cl)cc32)c1 127170214 DYWGDEOULAAEDY-AWEZNQCLSA-N 287.815 4.872 30 10 CJEE CCCCCCCCCCN[C@@H]1CCO[C@H](C(C)C)C1 129292153 ACPPWPTXWLRGIH-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](OC)C1CCCCC1 131106550 JLKYUVRKHROIQV-ROUUACIJSA-N 298.515 4.554 30 10 CJEE CCSc1cccc(Nc2ccccc2COC)c1C#N 136640150 PFVKNLUTOBLHCR-UHFFFAOYSA-N 298.411 4.560 30 10 CJEE CCCCCCCCC[C@@H](O)C#Cc1ccccc1 137830389 OIXGCPWMFKGAPP-GOSISDBHSA-N 258.405 4.540 30 10 CJEE C=C(C)CC[C@@H](NC)C1CCC(C(C)(C)C)CC1 159198781 LPVWCAAXLIUCJL-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCCCCCCOc1c(Cl)cccc1C=O 159442608 CVMWBMUTSUADRY-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H](C(C)(C)C)C2)C1 159749293 VWKCAGBHXAXSGY-WCXIOVBPSA-N 290.495 4.709 30 10 CJEE C=CCC[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 219341343 FJJHCEWKGOKERH-OWCLPIDISA-N 251.458 4.783 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222248362 KLTIXBDIKHNAMS-SUNKGSAMSA-N 265.809 4.760 30 10 CJEE CCCCCCCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 226983395 MIBJPKWVJAFKFP-UXLLHSPISA-N 251.458 4.761 30 10 CJEE CC12C[C@@H]3C[C@H](C1)CC(C(=O)C1=CCCCC1)(C3)C2 228361836 JWQDRMBCJZDRFL-MWABVPJASA-N 258.405 4.662 30 10 CJEE CCCCCCCOc1ccc(C#N)cc1C(F)(F)F 228402373 IZMRUTJRSPQEIX-UHFFFAOYSA-N 285.309 4.926 30 10 CJEE C#C[C@H](CCC)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 229925314 YCFPRRROONHFSH-DOMZBBRYSA-N 284.230 4.836 30 10 CJEE CCC(=CC(=O)Cc1c(Cl)cccc1Cl)CC 232867269 XYNQLSDRBRIXRK-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H]1CCCN1 232931615 CEHZPRQWFQEOJO-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(Cl)s1 234459581 FSDTXXCSIMCMNX-LLVKDONJSA-N 257.830 4.799 30 10 CJEE O=C(C=C1CCCCC1)C[C@@H]1CCCc2ccccc21 236390407 ZTYWAVOFVKOPGI-KRWDZBQOSA-N 268.400 4.956 30 10 CJEE C=C1c2ccccc2[C@@]2(NC(=O)OC(C)(C)C)CCCC[C@H]12 238200354 XHFDNUDEONHSRQ-DNVCBOLYSA-N 299.414 4.624 30 10 CJEE CCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@]1(C)CC 250797723 BMIMMNOSOGXXJY-OTWHNJEPSA-N 296.543 4.836 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251137357 KQULQHNVXBUZNQ-DSJMHWKBSA-N 270.482 4.564 30 10 CJEE C[C@H](C#N)c1cc2ccccc2n1C1CCCCC1 259968650 IHBHGQWMTBSXQJ-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CC(C)c1ccc(Br)cc1C(C)(C)CC#N 260713163 ZBAJPMDHFRTUTD-UHFFFAOYSA-N 280.209 4.764 30 10 CJEE CCCCCCCOc1cc(C)c(C#N)c(C)c1C 311706675 RFQRTZMKOXMMJQ-UHFFFAOYSA-N 259.393 4.833 30 10 CJEE CCCCCCCCc1nc2c([nH]1)CC[C@@H](C)[C@H]2C 311855157 POSQUHCJAHWQLQ-ZIAGYGMSSA-N 262.441 4.999 30 10 CJEE CCC1CCC([C@@]2(C=O)CCCc3ccccc32)CC1 316388716 FEMXZVPRZFINOW-KVWWFHCMSA-N 270.416 4.676 30 10 CJEE O=CC1(Cc2cc(F)ccc2Cl)CCCCCCC1 316782035 VUIFORRPJSOCDB-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE C=CCCCCC[C@]1(CNCC)CCC[C@H](C)C1 317193966 XQODRMJWEXXFCZ-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1csc2ccccc12 387282802 YRDCBVSUURNKKF-AWEZNQCLSA-N 273.445 4.634 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H](OC)C1CC1 388271073 FYIFBHZYQWYKKR-DOTOQJQBSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(F)cc1OC(C)(C)C 466866613 HRQXLXVZYLJRTL-LBPRGKRZSA-N 293.382 4.544 30 10 CJEE C[C@@H](c1ccc(Cl)cc1Cl)N1CCC(C)(C#N)CC1 506047024 GIXCDEYHHUSHCR-NSHDSACASA-N 297.229 4.680 30 10 CJEE CCCCCCCCCCC(=O)C[C@@](C)(N)C1CC1 687130080 GLDPXLODTGTRTJ-QGZVFWFLSA-N 267.457 4.604 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@](C)(O)c2cccs2)C1 688343516 YKKAUHUQYHFYLH-INIZCTEOSA-N 291.460 4.702 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 691156008 KPDUADKTCIQSBT-YOEHRIQHSA-N 270.420 4.868 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](OC)C1CCC1 692672862 MPTVSSTVWRPAKO-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCc1ccsc1CNCC 693078964 FORVJFSGLXPISK-UHFFFAOYSA-N 253.455 4.761 30 10 CJEE CCCCCCCCO[C@@H](CNC1CC1)CC(C)C 695070552 TWSBINCQQYKQFV-QGZVFWFLSA-N 269.473 4.530 30 10 CJEE CN(C[C@H]1C[C@H]1C(C)(C)C)CC1(CS)CCCCCC1 699890159 IMGCQCINLNDCDH-HZPDHXFCSA-N 297.552 4.871 30 10 CJEE CSc1cccc(N2CCCC[C@@H](C(C)C)C2)c1C#N 703225703 MJDUTCVVBLPPIX-CQSZACIVSA-N 288.460 4.543 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)cc1C 710640056 XINNWAQFCDFCLM-CQSZACIVSA-N 272.219 4.832 30 10 CJEE CCOc1ccc([C@@H](C#N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)cc1 719376313 GIZCYQUDYSQBMK-YQYZPQCESA-N 271.404 4.765 30 10 CJEE C=C1CCC(CN[C@H]2CCCC[C@H]2C(C)(C)C)CC1 724440851 LBMBJSVKMZRAHS-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=C1CCC(CN[C@H](C)c2c(F)cccc2Cl)CC1 724447714 ZQBAETQDOJKCOE-GFCCVEGCSA-N 281.802 4.876 30 10 CJEE CC/C(=N\OCc1ccc(F)cc1)c1ccc(C)c(C)c1 821218020 KQHAHAUWZMLMCL-CZIZESTLSA-N 285.362 4.773 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(C)=C(C)C1 1126063668 VYNTZMDXZRGXHG-GOSISDBHSA-N 289.463 4.718 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1 1127301955 OURBKMMSMDGSCX-MOPGFXCFSA-N 297.442 4.947 30 10 CJEE C=CCCCCNC(=O)[C@H](CCC)c1cccc(Cl)c1 1128274889 SFLYSULQDZFBOU-MRXNPFEDSA-N 293.838 4.696 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccccc1C(C)(C)CC 1129235955 XGYNWUMWAAEEPZ-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H]1CCCc2ccc(Cl)cc21 1131794754 KBTCPYICLKYVMC-RDJZCZTQSA-N 292.806 4.863 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 1132193227 IUVMWBCKDYJVQR-QZTJIDSGSA-N 299.458 4.679 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 1207494193 WDQCHAASWZGTFH-WOJBJXKFSA-N 283.459 4.734 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Oc2ccccc2F)cc1 1288878940 HTJLBTLEVTVKBP-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CC[C@@H](CC)Nc1cc(SCc2ccccc2)ncn1 1307116406 KNICLFMXEKPZRQ-OAHLLOKOSA-N 299.443 4.536 30 10 CJEE C#CCN(CC[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCc2ccccc21 1307430895 PJCRLHUQKDMTMV-LVCYWYKZSA-N 295.470 4.826 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](C)c1cccc2ccccc12 1347716057 GSSCEONDIUSJKD-CABCVRRESA-N 281.399 4.619 30 10 CJEE C=CCC[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 1354112342 XYJANMXHHAUAQT-KRWDZBQOSA-N 283.346 4.514 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3ccn(CCC)c3c2)CC1 1354326279 GMQKURXGYZRFHC-UHFFFAOYSA-N 296.414 4.736 30 10 CJEE C=C[C@H](CC(=O)NCC1(C)CCCCCC1)c1ccccc1 1435693352 NUBLFTPHPKDUOG-QGZVFWFLSA-N 299.458 4.823 30 10 CJEE C=CCCCC(=O)OCc1c(Cl)ccc(F)c1Cl 1459867150 CXFNVHQGIPAKSW-UHFFFAOYSA-N 291.149 4.532 30 10 CJEE C#CCCCCCCN1C[C@H](C)C[C@H]1c1ccccc1F 1473197755 ASYCJBSPYHOOCO-APWZRJJASA-N 287.422 4.792 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(C2CCCC2)cc1 1473434156 NSFYOYVWRKVQJK-IBGZPJMESA-N 269.432 4.885 30 10 CJEE C=CCC[C@@H](C)NC[C@H](C)c1ccc(C(F)(F)F)cc1 1474450940 AJPJMMPMUXRWOP-QWHCGFSZSA-N 285.353 4.753 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@@H](C)CCCCC)c1 1528444939 IIXXXWQACSTTRR-INIZCTEOSA-N 285.431 4.627 30 10 CJEE C=CC1(CC(=O)N(CC)[C@H]2CCCC[C@H]2C)CCCCC1 1529733157 RSSRDKVSTQUNDL-SJORKVTESA-N 291.479 4.940 30 10 CJEE C=CCCCC(=O)N(Cc1ccccc1F)c1ccccc1 1532904462 FDGVLHMWBAICJH-UHFFFAOYSA-N 297.373 4.715 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccc(C)c(C)c2)CCCC1(C)C 1538657452 MVNASMYRQYGTQP-QGZVFWFLSA-N 285.431 4.510 30 10 CJEE C=CCCCC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 1539900620 HKMKSMJBSVQHQD-SFHVURJKSA-N 299.458 4.950 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(Nc2ccccc2)cc1 1540694060 DGILBXSRXWJGJW-HNNXBMFYSA-N 294.398 4.971 30 10 CJEE C=CCC1(NC(=O)[C@@H](F)CC2CCCCC2)CCCCC1 1543288773 PZUQOKWSIVJZFE-INIZCTEOSA-N 295.442 4.690 30 10 CJEE C=CC(C)(C)CCCNc1ncncc1-c1ccccc1 1559272697 KPEVSZHLIYIWKZ-UHFFFAOYSA-N 281.403 4.548 30 10 CJEE C=C(CC)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1560885902 QDGKLUVJFKNWNN-ZBFHGGJFSA-N 263.812 4.532 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(-n2nncc2C)cc1 1560903147 PCAWBKVMHQGYGO-HNNXBMFYSA-N 298.434 4.513 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 1565183704 HXLCCMAFRGBSOB-LSDHHAIUSA-N 294.483 4.587 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C2CCC2)c1 1586139473 DSOUCVPTFMDYMQ-VQIMIIECSA-N 297.442 4.819 30 10 CJEE C#C[C@H](NC(=O)[C@@](C)(CCC)CCCCCC)C(C)(C)C 1597001616 FAMZIOXENSYHRD-LPHOPBHVSA-N 293.495 4.927 30 10 CJEE CCCCCCCCN(C)[C@@H](C)Cc1ccsc1 1615782426 GFOKAMIOEHTCCI-HNNXBMFYSA-N 267.482 4.971 30 10 CJEE C#Cc1ccc(CN[C@H]2CCc3cccc4cccc2c34)cc1 1621077648 LTDYIZYKEXBQOA-NRFANRHFSA-N 297.401 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)c1 1628034009 OQDAQHMRHRVPAG-FUHWJXTLSA-N 298.430 4.668 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)NCCCCCCCCCC 1632947006 BPKUXSAAJQNWMJ-QGZVFWFLSA-N 294.483 4.877 30 10 CJEE C=CCC[C@H]1CCCN1c1nc2cccc(C)c2s1 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269.791 4.650 30 10 CJEE CC(C)CCC[C@](C)(O)CC=CC#CC(C)(C)C 2315908870 SJTVLJOOHOGOCO-QGZVFWFLSA-N 250.426 4.560 30 10 CJEE C=CCC(CC=C)Cc1ccccc1OC(F)F 2316720124 MCXDNBBZSZKUQV-UHFFFAOYSA-N 252.304 4.599 30 10 CJEE CC1(C)CC[C@H](CC2(C#N)C[C@@H]3CC[C@H](C2)S3)C1 2319137656 CRMMFIBAQATYHZ-ZNUWXHPXSA-N 263.450 4.771 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(C)cc1SC 2319607424 YUSXDABQDDSGOP-HNNXBMFYSA-N 263.450 4.853 30 10 CJEE C=CC[C@H](C)[C@H](O)C[C@H]1C[C@@H]1C1CCCCCC1 2321229860 ZKTAZCBWRATOTH-RKTXRCNFSA-N 250.426 4.556 30 10 CJEE Cc1ccc(NN=Cc2ccccc2C(F)(F)F)cc1C 2322922362 SZSOFHOIUITIMT-UHFFFAOYSA-N 292.304 4.768 30 10 CJEE C=C[C@]12C[C@H](CCN1Cc1ccc(Cl)c(Cl)c1)C2 2326721546 AQKKYDHVWLOJAF-JNSHFYNHSA-N 282.214 4.534 30 10 CJEE C=C1CC([C@@H](NCC)c2cc(F)c(Cl)c(Cl)c2)C1 2327373883 REFLOUKOTORZOY-CQSZACIVSA-N 288.193 4.749 30 10 CJEE COC1(CSC[C@H](CS)CC(C)C)CCCCC1 2328537828 GEVUWUWGMHMVBX-AWEZNQCLSA-N 290.538 4.661 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc(F)c(F)c1 2330492925 HVSVFOHCRBRPDG-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NN 2333365479 MDNRNGDANBZMIL-IKGGRYGDSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCN[C@H]1[C@H]2CCCC(F)(F)[C@H]21 2333706271 JPJQSYOLJYZWKJ-ZNMIVQPWSA-N 271.395 4.536 30 10 CJEE C=CC[C@@H](C)OC(=O)C1CCC(CCCCC)CC1 2335106734 CWIIJLRHSCJTLH-QQFBHYJXSA-N 266.425 4.881 30 10 CJEE CCCCCCCC(=O)c1cc(CC)ccc1OC 2336665348 KLEGILFHUGGAPA-UHFFFAOYSA-N 262.393 4.801 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(F)ccc1C(F)F 2338252108 HOXJJYPADNHTPJ-CQSZACIVSA-N 271.326 4.770 30 10 CJEE CC=CC[C@@](C)(CCCCCCCC)OCCCN 2338447211 OTMFDDHAYCHDGM-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@]1(C)CCCCC1(F)F 2338747487 QMYCURPLSDMBTP-CABCVRRESA-N 271.395 4.558 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1c(Cl)cc(F)cc1Cl 2340798403 LRPXRWMFGQSHGP-HNNXBMFYSA-N 296.172 4.846 30 10 CJEE C=C(F)C[C@H](NCCC)c1cc(F)ccc1C1CC1 2341794963 LCTSPLWUDNZYCL-INIZCTEOSA-N 265.347 4.617 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(Cl)c(C)cc1OC 2341925666 CWVQFGVQVZKYLN-OAHLLOKOSA-N 281.827 4.664 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343072844 MOWPDCJRGQNGIW-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCCCOC[C@@](C)(CC)CNC 2343180172 YWQYDXCXBIZMON-KRWDZBQOSA-N 269.473 4.555 30 10 CJEE CC1=C(C)C[C@H](C[C@](C)(C#N)c2ccccc2)CC1 2343383275 DRIFNANEOPVELQ-SJLPKXTDSA-N 253.389 4.994 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCc1ccccc1)NCC 2344344832 UIBVLJSBVKLHSZ-MSOLQXFVSA-N 259.437 4.590 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NCCC 2344349345 RXRQFLSEYGTXNJ-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C2(C)CC2)cc1 2344397338 RSZTVQOVUFUERJ-SJORKVTESA-N 257.421 4.730 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)CC1(CS)CC(C)(C)C1 2345007471 BJBVCDHDCFTQKD-CABCVRRESA-N 283.525 4.623 30 10 CJEE CC[C@@H](C)c1ccccc1OC[C@@]1(CS)CC1(F)F 2351889518 AVTFWCCIYXCKOW-BXUZGUMPSA-N 286.387 4.534 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CC[C@@H]1C1CCCCC1 2352091225 AHPDATGCOTYZLD-NVXWUHKLSA-N 283.525 4.623 30 10 CJEE C[C@H]1c2ccccc2CN1C[C@](C)(CS)C(C)(C)C 2352169030 OHFGOQOWXLJCNC-SUMWQHHRSA-N 277.477 4.545 30 10 CJEE C=CCC(CC=C)Oc1cc([C@H](C)NCC)ccc1C 2360213927 BIRAITXCNUSHPN-HNNXBMFYSA-N 273.420 4.565 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCCC(C)C)OCCC(=O)O 2360236254 MCYSPVGFUSTLIP-KRWDZBQOSA-N 284.440 4.665 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@](C)(F)CC[C@H]1NCCC 2360324866 SXEPWMHQNZADPW-ZACQAIPSSA-N 299.499 4.889 30 10 CJEE CCCC[C@H](CC)COCCCOc1ccc(C#N)cc1 37138750 IWYDAVPCRHCGEV-INIZCTEOSA-N 289.419 4.560 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCCc3ccccc32)c1 37936807 FKIVHQLLAZKJMN-LJQANCHMSA-N 276.383 4.552 30 10 CJEE CCOc1ccc(-c2c(CS)csc2C)cc1 49453894 UNPODAJDHLYJOG-UHFFFAOYSA-N 264.415 4.552 30 10 CJEE CC[C@@H](CC#N)N[C@H](CC)c1ccc(Cl)cc1Cl 54183427 MZWMXLNUXBGNOJ-SMDDNHRTSA-N 285.218 4.726 30 10 CJEE Cc1cc(Cl)ccc1OCC[C@@H](C#N)c1ccccc1 57684678 BEXVQWWTQVCZNF-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE Cc1cccc(OCCC[C@@H](C#N)c2ccc(F)cc2)c1C 57685611 SMAFCJREEHUHTH-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE O=[N+]([O-])c1cccc(/N=C/c2c(Cl)cccc2Cl)c1 59456924 RDSWFNRZDIBUKH-LZYBPNLTSA-N 295.125 4.652 30 10 CJEE COc1cc(C)c(C(=O)/C=C/c2sccc2C)c(C)c1 83193593 GNXANBFVJAXRMR-AATRIKPKSA-N 286.396 4.578 30 10 CJEE CC(C)C1CCC(C#N)(CCC[C@H]2CCCO2)CC1 87960282 FMANUHUAEGVGDL-CGZBRXJRSA-N 263.425 4.692 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 92129366 MRKKITOAWYAKFD-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE CCC(C)(C)c1ccc(OCCCCCS)cc1 94582846 PRCHKSGPXBDHNI-UHFFFAOYSA-N 266.450 4.853 30 10 CJEE CC(C)c1ccccc1OC[C@H](CS)c1ccccc1 94583171 XVZILNBDIYHLMC-MRXNPFEDSA-N 286.440 4.902 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC[C@@H](C)[C@H](C)C1 94585835 HXQOQOORARKSRV-MGPQQGTHSA-N 258.471 4.564 30 10 CJEE CN(CCCCCCCCCS)Cc1ccccc1 97799182 NHINTTOQSIVZEZ-UHFFFAOYSA-N 279.493 4.779 30 10 CJEE CCC[C@@H]1CN(C)c2ccccc2/C1=N/c1ccccc1 102967442 HZDGBELGRVSZRG-FZFLATATSA-N 278.399 4.674 30 10 CJEE CCCCCCC[C@H](NCC)c1nc(C)c(C)s1 104441782 CJRBYSIIXUEYPC-AWEZNQCLSA-N 268.470 4.771 30 10 CJEE N#Cc1cc(F)ccc1Oc1ccc2ccccc2c1 111037026 WMQVRAWWMIXYCZ-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE CCCCCCCC[C@@H](Cc1cccc(OC)c1)NC 112893724 CLCJLMDDBPIMDR-KRWDZBQOSA-N 277.452 4.576 30 10 CJEE CCCCCCCCn1c(CNC)cc2ccccc21 112931034 OZGLSRAUQRXBMQ-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCCCCn1nccc1CNC(C)(C)C 112934236 XUQKGHLSYCGWAR-UHFFFAOYSA-N 293.499 4.912 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@@]1(C)C1CC1 114058049 DGHZRNRHUBPLLU-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](N)CS[C@H](C)CC 115815227 ALCALWDUBBMIGN-CABCVRRESA-N 259.503 4.986 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](C)c1ccccn1 117686190 UVUKRVNNCZTDRG-JKSUJKDBSA-N 262.441 4.653 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H](C)c1ccccn1 118066747 ZRTQUSVITXOHBW-CVEARBPZSA-N 262.441 4.524 30 10 CJEE CCCCCCCCC[C@@H](CCCc1ccccc1)NN 122248223 SWUWYTGNBLGACF-IBGZPJMESA-N 290.495 4.982 30 10 CJEE CSc1cccc(N[C@H](C)c2ccc(C)s2)c1C#N 127021689 HQXWAQLMWRQPPX-LLVKDONJSA-N 288.441 4.823 30 10 CJEE CCSc1cccc(Nc2ccc(F)cc2)c1C#N 136612377 NCDOHSJYWLYSTF-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCCCCCCCNCc1nc(C(C)(C)C)cs1 160932144 ARIFURADIPUZIJ-UHFFFAOYSA-N 282.497 4.891 30 10 CJEE C=C(C)CC[C@@H](N)C(c1ccccc1)c1ccccc1 164506894 MHZXGHBQGPJIHK-GOSISDBHSA-N 265.400 4.502 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 168270720 WMQZFBHIVBMFRJ-INIZCTEOSA-N 268.335 4.651 30 10 CJEE CCCCCCCC[C@@](C)(O)C#Cc1ccccc1 198568743 USAOGBKYAWNMFI-GOSISDBHSA-N 258.405 4.540 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 212952022 VROAWMIRGBVNBE-HFAKWTLXSA-N 297.229 4.536 30 10 CJEE Cc1cccc(C#N)c1Oc1cc(Cl)cc(Cl)c1 221144627 CKRIMZMLNPAOPN-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(F)ccc2F)C1 222979808 GBTIYLLTJYJUIN-SUNKGSAMSA-N 281.371 4.775 30 10 CJEE C#C[C@H](CCC)N[C@@H](CCC)c1ccc(Cl)cc1 229911954 UQMZIZXMLSRCQG-CVEARBPZSA-N 263.812 4.573 30 10 CJEE CCCCCCCNc1c(F)cccc1Br 232120118 MVRUBVHOMOLVNY-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE C=CCn1c(CC)nc(CCCCCCCCC)c1N 232959648 CFCKBBGULRGLKV-UHFFFAOYSA-N 277.456 4.507 30 10 CJEE C=CCCCCC[C@@H](N)C1(OCC)CCCCCC1 233707999 HZYZINJGSZDJOJ-MRXNPFEDSA-N 267.457 4.580 30 10 CJEE C[C@H](N)c1ccc(SCCCCC(C)(C)C#N)cc1 235495885 ZJMHHGJBVXDOSR-ZDUSSCGKSA-N 276.449 4.518 30 10 CJEE C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)cc1Cl 235577574 PJCCUGBHKGQPRJ-SMDDNHRTSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@@H](C(C)C)CC2)C1 252540005 CCJNDBQZKIHQBT-BDXSIMOUSA-N 277.452 4.674 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)C1(C#N)CCCCCC1 252563433 XKDNEQJBSVGTRY-SOLBZPMBSA-N 277.452 4.674 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 253042902 MRSDBBXAELANCM-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CCc1ccc([C@@H](C)CC=O)cc1-c1ccccc1 258656000 OBXPVNXONJAKQA-AWEZNQCLSA-N 252.357 4.609 30 10 CJEE CCCC(F)(F)c1ccc([C@H](C#N)C(C)C)cc1 259259326 ASDLTQMVFUAFEP-CQSZACIVSA-N 251.320 4.842 30 10 CJEE COc1cc(F)cc(C2(C#N)CCCCC2)c1C(C)C 260673877 WHJXRQJBYKZGGT-UHFFFAOYSA-N 275.367 4.683 30 10 CJEE C[C@@]1(c2cc3ccccc3s2)CCC[C@H](CC#N)O1 312120092 ULFQHPCLAWIMTA-CJNGLKHVSA-N 271.385 4.599 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc2c(c1)CCC2 312420876 KITNZGXKTBHAAP-MRXNPFEDSA-N 271.448 4.962 30 10 CJEE C[C@@]1(CC#N)CCC2(CCC(c3ccccc3)CC2)O1 312649189 JCLFOOXKKJWWHV-ADKAHSJRSA-N 269.388 4.566 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@]1(O)CCCC12CCCCC2 312981043 BGFYXMPWDCIHGA-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC2(CO)CCCCC2)C1 313062240 MFCCUYBTFWWATP-BZUAXINKSA-N 295.492 4.523 30 10 CJEE CCCCCCCCC[C@H](C#Cc1ccccc1)NC 315008929 VRUCHHWMAMGLNJ-LJQANCHMSA-N 271.448 4.767 30 10 CJEE CCO[C@@H]1C[C@H]([C@]2(C#N)CCC[C@H](CC)C2)C1(C)C 378697409 GXFCAWGMBZKILO-LJIGWXMPSA-N 263.425 4.548 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@]1(C#N)CCc2ccccc2C1 383236385 DHAQPDSCLJPBQP-AYOQOUSVSA-N 267.416 4.902 30 10 CJEE CCCCCCCCCNCc1csc(CC)n1 385842498 SRWJPDOMULEYGT-UHFFFAOYSA-N 268.470 4.546 30 10 CJEE C/C=C(/CC)C(=O)c1cccc(Cl)c1C(F)(F)F 386250235 SMNDNPGQLBRSOV-BAQGIRSFSA-N 276.685 4.898 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CSc2ccccc21 387165309 MIQAPNPHEVVYRB-JKSUJKDBSA-N 289.488 4.704 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(C)cc(Cl)c2)CC1 395050581 ADAFKDSFJFCLMP-PWZRNIHTSA-N 291.822 4.792 30 10 CJEE CCCCCCCCO[C@@H](CNCCC)C(C)(C)C 395821868 SNHAXHLODJGWRZ-INIZCTEOSA-N 271.489 4.778 30 10 CJEE Cc1cc(NC[C@@H](C#N)C2CCCC2)c(Cl)cc1F 397389065 XOZHYEGNSIJMJW-GFCCVEGCSA-N 280.774 4.529 30 10 CJEE O=C(C=C1CCCCC1)CC(F)(F)c1ccccc1 401055554 DKAUHHBGQHOSDX-UHFFFAOYSA-N 264.315 4.628 30 10 CJEE Cc1ccc(Sc2nccc3ccccc23)c(C#N)c1 401686269 XVQVNVFBVCEMSE-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCc2c(F)cccc2F)C1 402953907 RQWISXUOZFVHGA-CXAGYDPISA-N 280.358 4.683 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCc2c(F)cccc2F)C1 402953911 RQWISXUOZFVHGA-GUYCJALGSA-N 280.358 4.683 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)C1 476166126 VXASBGLQJXEFRD-ZBFHGGJFSA-N 285.431 4.913 30 10 CJEE CC(C)(C)CC(C)(C)/N=C1/NC2(CCCCC2)CCS1 687325550 HQZJEFAZMQAVLS-UHFFFAOYSA-N 296.524 4.987 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccccc1C#N 691044693 MZGKTBQMKZHZPO-RDJZCZTQSA-N 256.393 4.575 30 10 CJEE C=C[C@H](C)Nc1ccc(OCc2ccccc2)cc1C 691048116 JXSAHCDNKOEVOU-HNNXBMFYSA-N 267.372 4.560 30 10 CJEE CCCCCCCCCC[C@H](NN)C1CC2(CCC2)C1 691890878 MHUGRGWAQYUYRN-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] 692253236 QEFKKGYVAYKRDJ-DGCLKSJQSA-N 294.782 4.795 30 10 CJEE CC[C@@]1(C)CCS/C(=N/C2CCC(C3CCC3)CC2)N1 695861956 BPIIGUOAJGEWTJ-DQPZFDDXSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCN1C[C@H](C)C(=NO)[C@H](C)C1 696554214 IBSVWNHGORSYJG-IYBDPMFKSA-N 282.472 4.545 30 10 CJEE CCSc1cccc(NC[C@H]2C[C@@H]2C(C)(C)C)c1C#N 699869051 UZARUTTXWKGJLQ-OCCSQVGLSA-N 288.460 4.764 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccnnc1C 701758951 OIKDUAWKURHBAC-KRWDZBQOSA-N 277.456 4.576 30 10 CJEE CC1(C)C[C@H](SCCCCCCCCCS)CO1 703089975 SCGXIIQQSLPLIW-AWEZNQCLSA-N 290.538 4.948 30 10 CJEE C=C(Cl)C[C@@H](Cc1cccc2ccccc12)NCC 710643028 FIWGBCXOCVPMDV-INIZCTEOSA-N 273.807 4.503 30 10 CJEE C#CCCCCC[C@H](NCC)c1cscc1Cl 711501375 KUMYQDFZDAZNRW-AWEZNQCLSA-N 269.841 4.636 30 10 CJEE CCCc1c(-c2cscc2Cl)sc(C#N)c1N 711564083 GWKYSSPOXJKSQH-UHFFFAOYSA-N 282.821 4.536 30 10 CJEE COCC(C)(C)CC1(C#N)CC(C)(C)CC(C)(C)C1 712663319 JQSZTWSAZGFHJF-UHFFFAOYSA-N 265.441 4.795 30 10 CJEE C=CC[C@H](C)Nc1ccc(SC(F)(F)F)cc1 715005067 JUTVNRPAQSTTIB-VIFPVBQESA-N 261.312 4.675 30 10 CJEE C=C1CCC(C[C@@H](O)c2cccc(C)c2Cl)CC1 724551636 FTDDKHUUTMQJHV-OAHLLOKOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(C)ccc2C)CC1 724602137 JJGOCTYUWLRXJT-GOSISDBHSA-N 257.421 4.700 30 10 CJEE CC(C)(C)c1ccc(CO/N=C(/c2ccco2)C2CC2)cc1 821234085 PDPGCFKFOUQVNC-CZIZESTLSA-N 297.398 4.908 30 10 CJEE C=CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccccc1 1124756589 JOAXATWGVJKCPZ-BHIYHBOVSA-N 297.442 4.812 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(SC)cc1 1128383759 UYUZIUDCCGQDIX-ZDUSSCGKSA-N 290.428 4.781 30 10 CJEE C=CCCCCCCCNC(=O)c1csc(Cl)c1 1129466428 RVXZIJRLPZXSMK-UHFFFAOYSA-N 285.840 4.658 30 10 CJEE C#CCCCCCCN[C@@H](CC)c1ccc(F)cc1F 1192690947 ZCCYCBHIPKIGFF-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE CC#CCN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 1195883681 JKCGEYMMRPESMK-SJORKVTESA-N 293.410 4.501 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCC[C@H](C(C)C)CC2)C1 1205480849 MQTKBOOUSCNMQF-OWSLCNJRSA-N 263.469 4.926 30 10 CJEE C=C[C@H](OC(=O)c1ccc(F)c2occc12)c1ccccc1 1279070889 WNZYQTAIGDWODQ-INIZCTEOSA-N 296.297 4.656 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](C)c2ccc3ccccc3c2)cc1 1289617833 RGELEAOLNAOAFL-HNNXBMFYSA-N 299.373 4.563 30 10 CJEE CCCC[C@H](NCc1ccc(Cl)cc1C#N)C1CCC1 1307666403 DRKMDZPABOZWGO-KRWDZBQOSA-N 290.838 4.660 30 10 CJEE C=CC[C@@H]1N(Cc2cnc3ccccc3c2)CCCC1(C)C 1307728990 IUSXDNULVFJTTP-IBGZPJMESA-N 294.442 4.802 30 10 CJEE C#CCCCCC(=O)Oc1cc(Cl)c(Cl)cc1CC 1458917175 QRFJBODYROOUNQ-UHFFFAOYSA-N 299.197 4.655 30 10 CJEE C=CC[C@@H]1N(Cc2ccccc2CF)CCCC1(C)C 1460026835 CRSARLPTSDGDCT-KRWDZBQOSA-N 275.411 4.723 30 10 CJEE C=CCC1(NC(=O)c2cccc(C3CCC3)c2)CCCCC1 1460093319 MBGIEFTVPPVLMH-UHFFFAOYSA-N 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CJEE C=CCCCCCCCNc1ccc(C)c(N(C)C)c1 2235522888 YVEVSSORRDTMEC-UHFFFAOYSA-N 274.452 5.000 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cccc(F)c1Cl 2235540346 WIILRZWQWCGPHH-HNNXBMFYSA-N 298.833 4.900 30 10 CJEE SCC1(COC2C3CC4CC(C3)CC2C4)CCCCC1 2239079723 CXEHHUBSOHEITP-UHFFFAOYSA-N 294.504 4.708 30 10 CJEE CC(C)=C1CC[C@@H](C)C[C@]1(N)C#Cc1cccc(Cl)c1 2239474923 ZYMCHHRRSMLVKJ-RDTXWAMCSA-N 287.834 4.545 30 10 CJEE CCCCCCCCCOCc1ccc(N)cc1OC 2239487751 SZRYOZYVUZMWRH-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](NCC)C1CCCCC1 2239509678 GRGQSOPYJKEQOV-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE CN[C@H](C#Cc1ccc(Cl)cc1)CCC1CCCCC1 2239569646 SDAFSVPXHXIEPY-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)[C@@H](C)C(C)C 2240565941 NMMQLHMOIHJBHN-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)C(CC)CC 2240639602 HEJUTGIFACSVMD-ROUUACIJSA-N 285.516 4.902 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@H](C)c1ccc(C)cc1 2240811315 ZPFSKYSVSZTDEK-WMZOPIPTSA-N 271.448 4.516 30 10 CJEE CCc1csc(SCCCCCCCS)n1 2245902457 YYNULJGRGJSFDY-UHFFFAOYSA-N 275.508 4.678 30 10 CJEE CCC(CC)(CS)COCCCC[C@H]1C[C@@H]1C 2248505514 SDHMYSAQBUMCDG-KBPBESRZSA-N 258.471 4.566 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)sc1C=O 2250720250 QWNPURDAVYGCRZ-SNVBAGLBSA-N 272.797 4.728 30 10 CJEE CCCC(CS)(CCC)COC[C@@H]1CCC1(C)C 2254861477 WPPAOFAKEDPOGA-AWEZNQCLSA-N 272.498 4.956 30 10 CJEE CCCCCCCN(C)CC[C@@H]1CCCC12CC2 2255257270 CXNSXCOINUWCEF-INIZCTEOSA-N 251.458 4.859 30 10 CJEE CCCCCCCC[S@](=N)(=O)CCC(F)(F)CC 2256416991 RRBFZHZBCCWYHV-SFHVURJKSA-N 283.428 4.829 30 10 CJEE C=C(C)CCCCC(=O)CSc1cccc(C)c1 2259162663 ZNSXRPFYRBWJRF-UHFFFAOYSA-N 262.418 4.793 30 10 CJEE CCC1C[C@@H]2CC[C@H](C1)N2CCCCCCCS 2263205165 FPWWDOMXHVFSFI-MQVJKMGUSA-N 269.498 4.520 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)C1 2264991172 NFIOLTLUEFEBIV-XUXIUFHCSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CC(F)(F)C12CCC2 2266081242 BCOYUWLQVGRPAD-KBPBESRZSA-N 273.411 4.890 30 10 CJEE C=CCCCCCCC(=O)c1c(C)nn(CC)c1Cl 2266553529 GCCIWJOIKXACPI-UHFFFAOYSA-N 282.815 4.574 30 10 CJEE CC(C)CCC[C@H](C)CCOc1cccc(C#N)c1 2269403867 QDFYQCJOQFEIMN-HNNXBMFYSA-N 259.393 4.790 30 10 CJEE O=CC1(C[C@H]2CCC[C@@H]2C(F)F)CCC2(CC1)CC2 2270047117 XYUXKJJTUQKPGH-OLZOCXBDSA-N 270.363 4.597 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(C#CC2CCCCC2)C1 2273901998 OYVJKTKFIZCXBY-MSOLQXFVSA-N 262.437 4.538 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1CCCCCCC1 2274121231 LYJIKUAZSSRMQO-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCC[C@](C)(C#N)[C@@]1(O)CC(C)(C)CCC1(C)C 2274489577 CMVNNWATNLRRHX-IAGOWNOFSA-N 265.441 4.674 30 10 CJEE CC[C@H](CC(=O)C#Cc1ccccc1Cl)C(C)(C)C 2277784577 VRTDSVRAAWVYMZ-CQSZACIVSA-N 276.807 4.723 30 10 CJEE N#Cc1cc(SCC2=CCCC2)ccc1C(F)(F)F 2278787518 ZUJNMAFZUYLKDM-UHFFFAOYSA-N 283.318 4.779 30 10 CJEE CCCCCCC[C@H](CC1(C)CC(C(F)(F)F)C1)NN 2279319175 MAXGCMOLNJLCIN-ROKHWSDSSA-N 294.405 4.548 30 10 CJEE C#CCCCCC[C@H](C[C@@H]1CCCCC12CC2)NCC 2279532411 GAEPJARPHMSFPB-ZWKOTPCHSA-N 275.480 4.909 30 10 CJEE C=CCC(C)(C)CN[C@H](CCC)c1ccc(OC)cc1 2283569324 YKYIWGCMDDLLEL-QGZVFWFLSA-N 275.436 4.728 30 10 CJEE C[C@@H]1CC[C@@](C)([C@H](O)CC=CC#CC(C)(C)C)C1(C)C 2284129333 MQNLISAVHSTKAQ-MDZRGWNJSA-N 276.464 4.806 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1CN 2287183507 USDVVBHYUFBRHC-OKZBNKHCSA-N 289.488 4.597 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(OC)c(Cl)c1 2287230190 GKMMVRPGCPLPSP-OAHLLOKOSA-N 298.858 4.884 30 10 CJEE C=C(C)CCCC[C@@H](CCc1cccc(F)c1)NCC 2287413390 JAKIDHYYICJMOV-SFHVURJKSA-N 277.427 4.873 30 10 CJEE C=CC[C@@]1(COCC[C@H](C)CCCC(C)C)CCCN1 2287935525 XBSPCZPLTQWSJJ-MSOLQXFVSA-N 281.484 4.554 30 10 CJEE N#C[C@@H]1CCN(CCCCCCCC2CC2)C2(CC2)C1 2288620492 UOMPZCMKJUKXBR-QGZVFWFLSA-N 274.452 4.505 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(C)cc1Cl 2289672734 USFMKJVJUCYMSL-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H]1CCCCC12CC2 2289703426 HXTRMKFKRBEGTN-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE C=CCCCCCCCCOCC1(C)CC(NCC)C1 2289795076 NTKQHEQETDBICG-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE CCN[C@H](CCC#CC1CCCC1)c1ccc(Cl)cc1 2289860493 VWNWNNYRDPKVGQ-GOSISDBHSA-N 289.850 4.964 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](N)(CC#CC2CCCC2)CC1 2289899638 SREGQDFFJIVHRG-IEBWSBKVSA-N 275.480 4.894 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)c1sccc1C 2290606782 VFQPUKVCADZCTK-CQSZACIVSA-N 298.448 4.949 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H]1C[C@@H]1CCC 2290889903 MUZAJSQZYSLSJN-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](C[C@@]1(C)C[C@H]1C)OCCC(=O)O 2292341198 VEOCDCYIQAUZFY-BFYDXBDKSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCCN)CCC[C@@H](C2CC2)C1 2293665940 ASGPVNSEDCOMMA-MSOLQXFVSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@H](OCCCN)c1ccc[nH]1 2294290199 NUXMCNIWLQINMT-KRWDZBQOSA-N 280.456 4.562 30 10 CJEE CCCCCCCC[C@@](OCCN)(C(C)C)C(F)(F)F 2294591755 MOJSGRVCHVYNMT-CQSZACIVSA-N 297.405 4.669 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(Cl)s1 2298823750 GJYYXDDQEHGMDT-QWRGUYRKSA-N 289.897 4.750 30 10 CJEE CC1CC(CS)(CSC[C@H]2CC[C@H](C)CC2)C1 2298955100 MUAAYPDZEQQGMD-NZFPVTAUSA-N 272.523 4.892 30 10 CJEE C=CC(C)(C)CNCc1ccc(Cl)c(Cl)c1C 2301019874 RBEXZQJPTFRPOR-UHFFFAOYSA-N 272.219 4.604 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(C)cc1Br 2301035966 BMAUCPTYMVXJTQ-OAHLLOKOSA-N 295.220 4.559 30 10 CJEE C=CCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2301190936 HPDAJZREPDPTIP-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(Br)c1C 2304119522 KUSTUNMGTRUBFV-LSDHHAIUSA-N 297.236 4.783 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccsc1)[C@@H](N)CC 2313528840 IFPNFORLAWHHCD-LSDHHAIUSA-N 281.490 4.781 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(C)s1 2313531369 ISRLNJKFFZHBIO-GXTWGEPZSA-N 283.506 4.795 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)NCC)cc1C 2313686898 QZLKBTRSFDVLCD-ZIAGYGMSSA-N 263.450 4.722 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(Cl)c(N)c(Cl)c1 2316705643 RXUUFBSCGCZCQT-UHFFFAOYSA-N 284.186 4.527 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@H]1CCC[C@H](CC)CC1 2316731079 UZRFGTGEWPMBCC-XIRDDKMYSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C(CCC)CCC 2316739070 NRTHWDSHPPANIT-QGZVFWFLSA-N 251.458 4.949 30 10 CJEE N#Cc1sccc1COCc1cccc(Cl)c1Cl 2317203239 KBRZXIIASDIKAI-UHFFFAOYSA-N 298.194 4.643 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@@]1(C=O)CCCCC12CCC2 2317985756 ISXWCFKLTZPKTQ-UXLLHSPISA-N 250.426 4.844 30 10 CJEE CCC[C@@H](OC[C@H](CS)C1CC1)c1ccccc1 2318098318 BYPGHCBOQQRLLH-HZPDHXFCSA-N 264.434 4.500 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1sccc1C1CC1 2321116333 IXBZBBAOEPWKQU-HNNXBMFYSA-N 263.450 4.878 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSCCCOC1CCC1 2327275011 OGVYGTGGHDQMLD-HNNXBMFYSA-N 290.538 4.661 30 10 CJEE CC(C)[C@H](C)[C@@H](C)N(C)C[C@](C)(CS)C(C)(C)C 2327282485 LJDGEPRAHXVSDL-SQWLQELKSA-N 273.530 4.581 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC2(CCCC2)C1 2328527590 JMDSRTPKCXXYPG-LSDHHAIUSA-N 270.482 4.708 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2C[C@H]2CC(C)C)CCC1 2329946013 KNFICRSQXCPEBP-BRWVUGGUSA-N 263.469 4.783 30 10 CJEE C=CCC(CC=C)NC[C@@H]1C[C@H]1C1CCCCCC1 2335095564 CJXZAANCNCANPQ-WMZOPIPTSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2338733191 PTTLJIIRISLFTK-OWLYRPNTSA-N 262.437 4.722 30 10 CJEE C=C[C@@](C)(CNCCC)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338992089 MLLREOGORRCJAS-WNRNVDISSA-N 263.469 4.785 30 10 CJEE CC(C)(C)[C@@H](CS)COC[C@H]1C[C@H]2C=C[C@H]1CCC2 2339240686 PEIQRFYJTWPRJA-KLHDSHLOSA-N 282.493 4.588 30 10 CJEE CC(C)c1cccc(CC(=O)C2=CCCCCC2)c1 2343745064 HTSIJEGCOJUBLW-UHFFFAOYSA-N 256.389 4.812 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cccc(C2CCCC2)c1 2344346106 PZXQRMAYOABREE-KDOFPFPSSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc2c(c1)CCCC2 2344356696 NWBJOQBXHDLAOQ-ZWKOTPCHSA-N 257.421 4.558 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(C)c(Cl)cn1 2344373322 ZJNOXGIGDYHTMI-JKSUJKDBSA-N 280.843 4.686 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@@H]1CCC12CCCC2 2352318481 RPAMQRGYDWQIEM-ZBFHGGJFSA-N 283.525 4.623 30 10 CJEE CSc1cc(OCc2ccccc2Cl)ccc1C#N 2353823520 BPIMSYNXXXPPQH-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@H]2C[C@H]1CO2 2360180173 UARJLXHPNHCMOG-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE CC1(C)CC(=O)C=C(c2cc3ccccc3s2)C1 12480099 GUUAZVZMOMYUTC-UHFFFAOYSA-N 256.370 4.674 30 10 CJEE N#Cc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 14549586 UKEDGDGINXCQRS-RYRKJORJSA-N 290.341 4.524 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc3ccccc3c2)C1 36389291 WRCBHELGDYUGTA-UHFFFAOYSA-N 250.341 4.612 30 10 CJEE N#Cc1ccc(Nc2nc3cccc(Cl)c3s2)cc1 37206678 OVXCFCUIXHSBIK-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE N#Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1Cl 37282071 CUYYOHHXVRLOCX-UMVBOHGHSA-N 288.822 4.982 30 10 CJEE CCCC1CCC(C#N)(Nc2cccc(C)c2)CC1 37936641 KPDZWGWYJMSTHY-UHFFFAOYSA-N 256.393 4.660 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(Cl)c2C#N)cc1 48346293 NIDKYSAKTBMRAL-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCOc1ccccc1Oc1cccc(Cl)c1C#N 49933832 KAPPBCJQDXSYIZ-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE CCCCCCCCOc1cccc(F)c1[C@@H](C)N 59087980 VPBYLIWXLIIXKE-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 68603203 RJORYNXIYKFROT-DGCLKSJQSA-N 296.336 4.958 30 10 CJEE N#C[C@@H](C(=O)c1coc2ccccc12)c1ccccc1Cl 70392304 ILZJFCPVROKPAM-CYBMUJFWSA-N 295.725 4.576 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87996688 PDHOWJURVAOECR-IUODEOHRSA-N 297.320 4.848 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87996689 PDHOWJURVAOECR-SWLSCSKDSA-N 297.320 4.848 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCCC[C@@H]2C(C)(C)C)CC1 91876185 QFSLXGSUDZOACZ-XPJGSDBHSA-N 277.452 4.674 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCSc2ccccc2)C1 92273552 MEEZCBVKYLWMEQ-HOCLYGCPSA-N 259.418 4.889 30 10 CJEE CCC(CC)(CS)COc1cccc(C(C)C)c1 94582622 LQLYOKRAJFIKAA-UHFFFAOYSA-N 266.450 4.925 30 10 CJEE C[C@@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582629 RKBGWTFTCZGEMH-GFCCVEGCSA-N 292.831 4.952 30 10 CJEE CN(C[C@H](CS)c1ccccc1)C1CCC(C)(C)CC1 94862544 OHMQBFZHGFMCBA-MRXNPFEDSA-N 291.504 4.601 30 10 CJEE CCCCCCC#C[C@@H](CC(C)(C)C)N1CCSCC1 102988354 TXMCTBVBQIBGOH-KRWDZBQOSA-N 295.536 4.814 30 10 CJEE CCCCCCCCOCc1nc(NC)ccc1Cl 103978252 ULHHUMKRLBRDHJ-UHFFFAOYSA-N 284.831 4.654 30 10 CJEE CCCCCCCCCCCCN[C@@H](C(=O)O)C(C)C 106506759 GWFLKPJINZSTEH-MRXNPFEDSA-N 285.472 4.606 30 10 CJEE C#CC[C@@H](C)c1ccc(OCCC)c(C(C)(C)C)c1 107592250 JCAVJIRPZBQIJX-CQSZACIVSA-N 258.405 4.900 30 10 CJEE CCCCCCCCN1CC[C@H](NCC)c2ccccc21 114430165 VPDPIVBWTRQKBI-SFHVURJKSA-N 288.479 4.908 30 10 CJEE CCCCCCCC[C@H](NCCC)C(C)(C)OC 118444651 BIVJHCHROKRQQA-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](C(=O)O)c1ccc(Cl)cc1 118852462 QQNVRIPLILEONO-CQSZACIVSA-N 268.784 4.869 30 10 CJEE N#Cc1cccc(CNc2c(Cl)cc(F)cc2Cl)c1 123058525 NPHLSLOPBRSZFS-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)ccc1Br 125701094 YVKZGMYBLFCQQJ-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 126555155 FMMQUCABESFDPI-IBGZPJMESA-N 297.442 4.735 30 10 CJEE CCCCCCCC[C@H](NCC)c1occc1C 133205824 YHCNEIOAFWMRNE-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnccc1C 135510652 FPTPORZEESLAPK-QGZVFWFLSA-N 263.425 4.954 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4.854 30 10 CJEE CCCc1ccc(C[C@]2(C=O)CCCC[C@@H]2C)cc1 2268250877 XHRPTYCKGNNHFB-YJBOKZPZSA-N 258.405 4.577 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CC1CCCCCC1 2268753625 ZKZRLGPIBFGFQV-UHFFFAOYSA-N 260.421 4.912 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)CCC1CCCCC1 2268826080 SRRCGHRTOOFOBB-QGZVFWFLSA-N 262.437 4.704 30 10 CJEE Cc1ccc(Cl)cc1[C@@H](O)CC=CC#CC(C)(C)C 2268835068 ROPNHCLIIKMHGY-INIZCTEOSA-N 276.807 4.678 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@@H]2C(F)F)CCCC(F)(F)C1 2270134446 YLDLYYMJUUWZRF-GVXVVHGQSA-N 277.305 4.777 30 10 CJEE CC(C)(C)c1cccc(NC[C@@H](C#N)C(C)(C)C)c1 2270238385 CMJHMHPTHTVXQR-CQSZACIVSA-N 258.409 4.582 30 10 CJEE C=CCCCCCCCS[C@H]1CCC(F)(F)[C@@H]1NC 2271596893 OHAKZPXKHYJDLT-UONOGXRCSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@]1(O)CCC12CCC(F)(F)CC2 2271777444 QGUPIUJCQFVODM-HNNXBMFYSA-N 272.379 4.844 30 10 CJEE CC(C)C1CCC(C=O)(C[C@]23CCC[C@H]2CC3)CC1 2273406275 JZYXKUSQSNXTTL-JYSRZZCRSA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@H](C[C@]12CCCC[C@@H]1CC2)NN 2273411489 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C=CCCCCCC[C@](C)(CCC1CC1)OCC(=O)O 2292425798 GHIALBRPPFRGTQ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(F)c(Cl)c1 2292884975 KPCMMLHOYUCPML-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE C=CCCCC[C@H](OCCCN)C1C[C@@H](C)C[C@H](C)C1 2293301315 PDJOZMURSMOHIV-BQFCYCMXSA-N 281.484 4.539 30 10 CJEE C=CC[C@@](C)(CC1CC(CC(C)(C)C)C1)OCCCN 2293791541 VIFRCRYGJQFOMK-HTWSVDAQSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCC2(CCC2)C1 2294353894 CPVTWUFUGQQCCJ-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC12CC2)OCCN 2294499686 GBRCUNFPHWYISW-DLBZAZTESA-N 281.484 4.661 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc3cccc(Cl)c3n2)C1 2294947436 JWLBMOMVUYTHQD-UHFFFAOYSA-N 285.774 4.661 30 10 CJEE CC1(C)CCC[C@H]([C@H](N)C#Cc2ccccc2Cl)CC1 2295195382 SMICQDRXNJDWLB-DOTOQJQBSA-N 289.850 4.625 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)CC(CC)CC 2295227287 TXAOEPURTISIFV-QGZVFWFLSA-N 291.866 4.886 30 10 CJEE CCCCCCCC[C@H](NC)c1scc(OC)c1OC 2296293247 HLJFJRMRKAGZHR-ZDUSSCGKSA-N 299.480 4.776 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H](C)SC 2299421149 SUTFAAAEWACLLP-GJZGRUSLSA-N 257.487 4.633 30 10 CJEE CCCCCCCCC1(O)C[C@@H](C)S[C@H](C)C1 2301729549 HLLUYGIQLRYCNQ-ZIAGYGMSSA-N 258.471 4.772 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)ccc1C 2304132006 JFSHLLYCTIFRNW-CABCVRRESA-N 252.785 4.674 30 10 CJEE C=CC[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2304541399 KWPNOIDOALETEL-VIFPVBQESA-N 279.783 4.956 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](CS)CC(C)C 2308054945 BPEHRMZVQOOCDG-LSDHHAIUSA-N 258.471 4.730 30 10 CJEE C=CCC(CC=C)[C@H](CSCC(C)C)NCCC 2316736654 NWMQXIVHLFAPRY-INIZCTEOSA-N 269.498 4.512 30 10 CJEE C=CCCCCCCN(C)C1C[C@H](C)S[C@@H](C)C1 2317708808 YLXMDZYHRDMESN-GJZGRUSLSA-N 269.498 4.727 30 10 CJEE C=CCCC[C@@H](C[C@H]1CCC(C)(C)C1)NCCC 2319111935 AXERRCPFEVPOEM-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2321221893 DZMQLOYUKUNQHE-YHUYYLMFSA-N 250.426 4.556 30 10 CJEE CCC1=CC[C@@H](C[C@@H]2C[C@H]2C2CCCCCC2)C1=O 2332812135 ZDNNABJCWXFBAK-BBWFWOEESA-N 260.421 4.908 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)C1C(C)(C)C1(C)C 2335096920 SBZSIJSEMFSZFH-KBPBESRZSA-N 283.525 4.735 30 10 CJEE CCCCCCCC[C@H](NC)c1cnccc1SC 2336858534 GIPCIDKNSROTEE-HNNXBMFYSA-N 280.481 4.815 30 10 CJEE CC(C)CCC[C@@](C)(O)[C@@]1(C#N)CCCC(C)(C)C1 2337651546 QFWFPCVYHLXSOX-SJORKVTESA-N 265.441 4.674 30 10 CJEE Cc1c(CNc2cccc(C#N)c2)ccc(Cl)c1Cl 2338859735 DDBPGYCQFDLMII-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2340263814 RHJNGFPUZKQRTE-LBPRGKRZSA-N 299.867 4.644 30 10 CJEE CCCCCCCCCOC[C@@H](CCC1CC1)NC 2340809991 BNVPOZPTUUZQIS-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE Cc1ccc(C#N)c(NCc2cc(Cl)cc(Cl)c2)c1 2341168020 RQMQMZDOFOTROV-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CNc1cccc(Cl)c1C#N 2343118653 TYTIBWOEYAGORY-DGCLKSJQSA-N 276.811 4.696 30 10 CJEE C=C[C@H](CCCCC)OC[C@](C)(CC)CNCCC 2343217681 NZHFWEUBMYLPNJ-IAGOWNOFSA-N 269.473 4.554 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NC 2344346999 XVUIZZIHIHDBPP-YESZJQIVSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(F)ccc(C)c1F 2344349838 WPARZXICNOGAAA-HZPDHXFCSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@@H](N)CC1(C)CC2(CC(F)(F)C2)C1 2344373370 ZRNQGROLDCLDSE-LBPRGKRZSA-N 271.395 4.522 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc2ccc(Cl)cc2n1 2344475033 FHATWHASILPHHD-OAHLLOKOSA-N 275.779 4.524 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CC)C[C@@](C#N)(NCCC)C1 2360329745 GQYXQASHERJPLE-YLFCFFPRSA-N 294.508 4.525 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CCC1(F)F)OCCN 2360416742 BKMSKTICZKLWMY-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE Cc1ccccc1CSCC/C(O)=N/C1CCCC1 3031819 FJIMGJAEMDACLJ-UHFFFAOYSA-N 277.433 4.517 30 10 CJEE C#Cc1cccc(NCc2cccc(Cl)c2Cl)c1 20566038 PYRRDGZTSUQETB-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE O=C(C1=CCCCC1)c1cccc(Cl)c1Cl 50324871 QCSJNITVGOGLBJ-UHFFFAOYSA-N 255.144 4.677 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 59431423 GEENIRWGKQDARZ-HUUCEWRRSA-N 291.435 4.815 30 10 CJEE Cc1cc(Cl)ccc1Nc1cccc(Cl)c1C#N 70138302 QEZSICSFAUIADF-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=CCCC[C@@H](Cc1ccc(Cl)cc1)NCCC 71276597 XDWZJPFERHSFQE-INIZCTEOSA-N 265.828 4.607 30 10 CJEE CC(C)C[C@@H](C)CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 80460109 NBBIQJVLPCELFN-OLZOCXBDSA-N 292.448 4.515 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2sccc2Br)C1 83791879 PUVPNDJRDPAQFT-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE C[C@@H]1C[C@@H](OCCCC(C)(C)C#N)CC(C)(C)C1 87608978 YKOAYHBTYSQYOR-ZIAGYGMSSA-N 251.414 4.548 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87996818 BYZSNRCITSCYPS-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE CCCCCCCCCCC1(O)CCC2(CC1)OCCO2 91366986 XIDUFEOGAILXHK-UHFFFAOYSA-N 298.467 4.565 30 10 CJEE CCC[C@H]1CCCN(CC2(CS)CCCCC2)CC1 94581729 AJJNIMSSAZSQOM-INIZCTEOSA-N 283.525 4.769 30 10 CJEE CC[C@@H](C)c1ccccc1OC[C@@H](CS)C(C)C 94583219 KZFOWFAJIIFPOE-KGLIPLIRSA-N 266.450 4.781 30 10 CJEE N#Cc1ccc(Sc2cc3ccccc3[nH]2)cc1Cl 94629305 IIJWICGGLNHUDQ-UHFFFAOYSA-N 284.771 4.844 30 10 CJEE CCCc1c(C#N)oc2ccc(Cc3ccccc3)cc12 110162446 DVMVHCZNKKQGNI-UHFFFAOYSA-N 275.351 4.848 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C2CC2)C1 110167614 ASSJBDIXWRRHKR-SFHVURJKSA-N 294.527 4.734 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2nc(C)ccc2C#N)c1 110262205 KZLWPWBCIDDOJW-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCCCn1cc(C(=O)CC)cn1 110267718 DGUYIXCZGPCORD-UHFFFAOYSA-N 264.413 4.617 30 10 CJEE CCCCCCC[C@@H](Nc1ccc(Cl)cc1)C(=O)O 110320561 TWVJXMINIKASKR-CQSZACIVSA-N 283.799 4.566 30 10 CJEE CCCCCCCCCCC[C@@H](O)CCCCC(=O)O 111923992 GEXGFYJRBXKDLJ-MRXNPFEDSA-N 286.456 4.913 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)cc(F)cc1F 115062558 AAJBRRMEKAPUCY-AWEZNQCLSA-N 273.342 4.854 30 10 CJEE CCCCCCCCCc1nc2cc(C#N)ccc2[nH]1 116311366 LEJCFEKIALORIH-UHFFFAOYSA-N 269.392 4.728 30 10 CJEE CCCCCCCCC(=O)[C@](C)(CC)N(CC)CC 118154942 LTXZPWTZHPNECB-KRWDZBQOSA-N 269.473 4.817 30 10 CJEE CCCCCCCCCC[C@@H](CCc1ccccc1)NN 125751995 KUJJIXUGAFPTPD-IBGZPJMESA-N 290.495 4.982 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@@H](C)OC 129153340 ZBWNTHRFIFKYJD-SJORKVTESA-N 271.489 4.920 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Br)c(C)c1 131915698 ZRZJCYYHXBUYBY-LLVKDONJSA-N 268.198 4.524 30 10 CJEE C=C(Cl)COc1ccc([C@H](C)NCCC)cc1Cl 132543534 YOBRAOXPFCOOHW-NSHDSACASA-N 288.218 4.532 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCSC1 135627910 PJGRZNLWRGNJMT-CQSZACIVSA-N 256.455 4.839 30 10 CJEE CCSc1cccc(O[C@H]2CCCC[C@H]2C)c1C#N 136700034 ZUSIBDBWTALGIR-OCCSQVGLSA-N 275.417 4.628 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC 156122036 WMVQVHQZJRMLHQ-GVDBMIGSSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@]1(O)CCc2cc(F)ccc21 157846438 MHBVWHMKKZBSCT-KRWDZBQOSA-N 264.384 4.710 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1C 162182362 JXWJHEGNBYBQBH-SOUVJXGZSA-N 289.554 4.692 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2sccc2Cl)cc1C 162988454 FVFPSBMOGVPNMC-GFCCVEGCSA-N 289.787 4.508 30 10 CJEE CC[C@H](C)c1ccccc1OCc1cc(F)cc(C#N)c1 163709919 AKXQAGMIANBTBB-ZDUSSCGKSA-N 283.346 4.790 30 10 CJEE C=CCCC[C@H](NCCC)[C@]1(OCC)CCC[C@H](C)C1 166621157 RDZZAXYGCIXSQA-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE N#C[C@H]1CCC[C@@H](Nc2ccc(COC3CCCC3)cc2)C1 193092834 HSAKKOYASWREGA-FUHWJXTLSA-N 298.430 4.640 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 218442557 NAMBCGAMDAKBTG-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)C[C@@H](C)CC[C@H]1C(C)C 218576973 XFYHICYJAXXMJE-QILLFSRXSA-N 270.420 4.762 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1cccc2ccccc12 219586549 WMRBYYCTIYMTDO-ZMYBRWDISA-N 278.399 4.573 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@@H](CN)C1 228987065 CFEIUACOUXEUCQ-MOPGFXCFSA-N 296.543 4.824 30 10 CJEE CCCCCCCC[C@@H](Cc1ccco1)NCCC 229185852 NYYGEWZQPALQKO-INIZCTEOSA-N 265.441 4.941 30 10 CJEE CCCCCCCCNC[C@@H]1CC(C)=C[C@H](C)C1 232928741 ABBMWDNVJSWDIB-RDJZCZTQSA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@H](Cc1cc(C)ccc1C)NCC 233602923 XGTLXSBIXOBHRQ-LJQANCHMSA-N 273.464 4.961 30 10 CJEE Cc1ccc(CNc2cc(C#N)ccc2Cl)cc1Cl 235867810 LUWFLZJFDVNWSY-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCOc1ccc(C=Nc2cccc3ccccc23)c(O)c1 254513445 JKJMOEXINWAMSX-UHFFFAOYSA-N 291.350 4.695 30 10 CJEE CC(C)(C)c1nc2cc(C3(CC#N)CC3)ccc2s1 260581528 OOPMPMCKPBQROG-UHFFFAOYSA-N 270.401 4.539 30 10 CJEE Cc1ccc(C(C)C)c(C2(C#N)CCCCC2)c1O 260857332 OHWAZUAARUYCQV-UHFFFAOYSA-N 257.377 4.550 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CC[C@H]2CCCC[C@H]2C1 300278097 LDGJWGZWRMGIKH-XDNAFOTISA-N 278.484 4.561 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCCCC2CCOCC2)C1 311333166 IVLJQGFUJNGSAG-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE SCCCCCCCCCN1CCC2(CCCC2)C1 311408901 XYSCGHSTPCVZLG-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE CC[C@H](C)[C@H](c1ccccc1)[C@@H](N)CC#CC(C)(C)C 312361568 WQVHUDWUAABMNP-RYQLBKOJSA-N 271.448 4.583 30 10 CJEE CCc1cc(N[C@@H](C)c2ccc(C#N)cc2)ccc1C 312449956 RIAUODPNWFDYBA-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CCCC(F)(F)C2)C1 316676261 BCGFWLPTONTMGI-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE O=CC1(Cc2ccc3c(c2)CCC3)CCCCCCC1 317062487 YLIHBBNTVRLAOV-UHFFFAOYSA-N 270.416 4.647 30 10 CJEE CC1CCC(CC#CC(C)(C)C)(CNC(C)C)CC1 317859091 ORLHMEAEOFMLRC-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2Cc3ccccc3S2)CC1 317930423 VFQSXJAVLOTFTQ-HQVVEAJESA-N 288.456 4.879 30 10 CJEE C[C@H](C1CC1)N(CCCCCCS)Cc1ccccc1 385891278 UTLNZXMGWMUHIE-MRXNPFEDSA-N 291.504 4.777 30 10 CJEE C=CCCC[C@H](NCC)c1ccc2sccc2c1 386484028 XFPNICUVLIRZKA-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(CC(C)C)cc1 393793459 GQJLNGCSYYTQTB-YJBOKZPZSA-N 259.437 4.890 30 10 CJEE CC(C)(C)[C@H]1CSC(=Nc2cccc3ccccc23)N1 393991377 CFHJWCHWLKUWRU-OAHLLOKOSA-N 284.428 4.578 30 10 CJEE C=CCCCCCCN[C@H](C)[C@H]1CC2CCC1CC2 394381097 QGGALGIDGJCZBL-AQEOSJORSA-N 263.469 4.927 30 10 CJEE C[C@H](CN(C)CC1(CS)CCCCCC1)C(C)(C)C 399732564 UGEAVWJRKJMERB-OAHLLOKOSA-N 285.541 4.871 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@](C)(C=O)c1ccccc1 405565743 VCWNFDWFCVZJBV-GXTWGEPZSA-N 272.310 4.512 30 10 CJEE C[C@@](C#N)(C[C@H]1CCCC(F)(F)C1)c1ccccc1 405571714 CTZULAZCGRIONH-HIFRSBDPSA-N 263.331 4.683 30 10 CJEE C=CCOC(=O)c1ccc(-c2ccc3ccccc3c2)s1 586564392 XCQRILFSRRTKMT-UHFFFAOYSA-N 294.375 4.911 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CCC 682777056 FCPUGJPSFKBPMT-AWEZNQCLSA-N 288.435 4.849 30 10 CJEE CCCCCCC[C@H](O)c1cccc(SC)c1 686949625 ASPLCKXBHVNNIB-HNNXBMFYSA-N 252.423 4.802 30 10 CJEE CCCCCCCCC[C@H](CCCC1CCC1)NN 688869389 XKCRQWQZFJXOMP-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE Cc1cc(NCc2ccc(Cl)c(Cl)c2)ccc1C#N 689224238 LOIMWTSNEGDNDD-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CC[C@@](C)(Nc1ccc(C(F)(F)F)cc1C#N)C1CC1 691631064 CVXPEIGJWUMZOA-CQSZACIVSA-N 282.309 4.568 30 10 CJEE CC(C)(CC(F)F)C[C@]1(C#N)CCc2ccccc2C1 694110317 RWCNINMCIQDNKR-KRWDZBQOSA-N 277.358 4.757 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc2c(s1)CCCC2 715812700 HNUCYDMWMCZTEE-DYVFJYSZSA-N 277.477 4.880 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H]1CCCc2sccc21 715815476 RVAJVVPYDSXTOM-YSVLISHTSA-N 277.477 4.748 30 10 CJEE CCCCCCCCCC[C@]1(O)CCc2cccnc21 716230747 MHJMLEVNAXRRLC-SFHVURJKSA-N 275.436 4.746 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1C[C@@H](C)CO1 718398239 RXYLCLKUONHXEW-FGTMMUONSA-N 283.500 4.920 30 10 CJEE 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CCCCCC#CC[C@]1(O)CC[C@@H]2CCCC[C@H]2C1 2138913082 XIAMSOJWFOUKFJ-BZSNNMDCSA-N 262.437 4.682 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@H]2CCCC[C@@]2(C)C1 2138954605 NXZDLRCNJFRQMA-KURKYZTESA-N 261.453 4.519 30 10 CJEE CCCC#CC[C@H](NCC)[C@H]1CCC[C@H](CC)CC1 2138956728 NSILXQJBHCZORR-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CCCC#CC[C@H](NCCC)[C@@H]1C(C)=CCC[C@@H]1C 2138980809 HBSGIUHIAWGDPA-OKZBNKHCSA-N 261.453 4.541 30 10 CJEE CCCCCC#CCC1(CNC)CCC2(CC2)CC1 2138984373 ANUGPQZLYZVKDM-UHFFFAOYSA-N 261.453 4.520 30 10 CJEE CCCCCC#CC[C@@H](N)C[C@H](C(F)F)C(C)(C)C 2138984760 CGNIKXADOAOEKQ-ZIAGYGMSSA-N 273.411 4.605 30 10 CJEE C=C(C)CC[C@@H](C)Nc1cc(Cl)c(C)cc1[N+](=O)[O-] 2141653239 GPDSEGJENVXDHL-LLVKDONJSA-N 282.771 4.713 30 10 CJEE C=CCCCCCC[C@H](NN)c1cccc(F)c1Cl 2141917270 TXQKMKMGVIMFTQ-AWEZNQCLSA-N 284.806 4.510 30 10 CJEE C=CCCCCCC[C@@H](O)[C@H]1C[C@@H]1c1ccccc1 2141917576 XBNBSPSDBCKOBB-FGTMMUONSA-N 258.405 4.678 30 10 CJEE C=CCCCCCCC(=O)[C@H](C)Oc1ccccc1 2141921920 MKANQZNKHGOQDN-HNNXBMFYSA-N 260.377 4.550 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1coc(C)n1 2142428552 SVCDZPRMFSUUKH-OAHLLOKOSA-N 264.413 4.680 30 10 CJEE C=CCCCCCCCC[C@H](NN)c1cscc1C 2142449528 BAKREENLRGSQRQ-INIZCTEOSA-N 280.481 4.868 30 10 CJEE CCC[C@@H](CC)Oc1ccc(C#N)c2ccccc12 2142459230 UQYFEDTWBZNRMR-CQSZACIVSA-N 253.345 4.669 30 10 CJEE CCCCCCCCC[C@@H](N)c1cn(C(C)C)nc1C 2143396962 ATKPIGHQBGSNKX-QGZVFWFLSA-N 279.472 4.913 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1CC[C@H]2C[C@H]1CO2 2144279887 PBRHQUWVSUVPNW-XDNAFOTISA-N 281.484 4.660 30 10 CJEE CCC1CCC(C=O)(C[C@]23CC[C@](C)(CC2)OC3)CC1 2144396304 XAVQPMJXZPHLMF-KUPNBSADSA-N 278.436 4.511 30 10 CJEE CCCCCCCC[C@H](N)[C@]1(O)CCCC(C)(C)CC1 2148590788 VTLNZZGCNWUWNI-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@]1(O)CCC(C)(C)C1 2148605995 YEWZWUNTCHRIOY-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](O)CC(C)(C)CC 2148856039 DLAQNXBVYUHINA-SJORKVTESA-N 285.516 4.902 30 10 CJEE CC(C)[C@H](CC#N)Nc1ccc(-c2ccccc2)cc1 2149224534 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CC1(C)CCCO[C@@H]1C[C@@]1(C#N)CCCCC12CCC2 2173615169 JYAFYICNHGOAPI-CRAIPNDOSA-N 275.436 4.836 30 10 CJEE N#C[C@]1([C@H](O)C2CCCCCCC2)CCCCC12CC2 2173628301 FLDYXDWFPBWSHK-AEFFLSMTSA-N 275.436 4.572 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(C(F)F)cs1 2177445463 OBLHACMNKJGUPW-IUODEOHRSA-N 299.386 4.829 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2C[C@@H]3CC[C@H](C2)O3)CC1 2181295102 DAHFYKDCPTXWMA-CUSZFKRNSA-N 278.436 4.510 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2c(F)cc(F)cc2F)CC1 2181663920 VGTHQHKHGLALIK-SNVBAGLBSA-N 282.305 4.669 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@@H](COC)C2)CC1 2181919461 BKDTXAYTMBPKKV-QLOLRVAOSA-N 280.452 4.615 30 10 CJEE C[C@H]1CC[C@]2(CCN2CC2(CS)CCCCCC2)CC1 2182816085 XYRQWFLGGUDHBJ-MAEOIBBWSA-N 295.536 4.911 30 10 CJEE CC1CCC(CCNc2cc(Cl)c(F)cc2C#N)CC1 2184451210 BTOKOJUUNQZIGB-UHFFFAOYSA-N 294.801 4.979 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCOC2CCC2)C1 2184670653 GZPBOETXOVBHMA-IIAWOOMASA-N 295.492 4.643 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@@H]1C(C)(C)C 2185112115 ZMDCYRVEJCYHFD-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)CCC(C)C)C1 2186008834 BCHWXKOGTAUSFN-MLHJIOFPSA-N 278.484 4.851 30 10 CJEE C=CCC(C)(C)OC(=O)c1sc2cccc(F)c2c1C 2187254104 XNGQVORMKMHOLM-UHFFFAOYSA-N 292.375 4.860 30 10 CJEE N#C[C@]1(CC2(F)CCCCC2)CCOC12CCCCC2 2190619088 QQLRIYVAZRIPET-OAHLLOKOSA-N 279.399 4.682 30 10 CJEE CC1(C)CCC[C@](C)(NC[C@H](C#N)C2CCCCC2)C1 2192758733 ZNMPJZIWYQDEAZ-WMZOPIPTSA-N 276.468 4.655 30 10 CJEE CCC[C@](C)(C=O)CN(C)C[C@H]1CC[C@H](CCC)CC1 2192937639 MWVSIAVFYRDDOE-BZSNNMDCSA-N 281.484 4.530 30 10 CJEE CC[C@H]1CC[C@H](CC2(C=O)Cc3ccccc3C2)CC1 2193006589 INHFABQHWWAKLA-WKILWMFISA-N 270.416 4.577 30 10 CJEE CCCCCCCCCN1CCC[C@@H](C(F)(F)F)C1=O 2195535734 SDVDMDLDAASVIY-CYBMUJFWSA-N 293.373 4.538 30 10 CJEE CCCCCCCCCCCCN(CCF)CCOC 2195919228 WMEZZTRNZHPAHH-UHFFFAOYSA-N 289.479 4.825 30 10 CJEE CC(C)(C)C#CC[C@]1(N)CCCC[C@H]1C1CCCCC1 2196595110 MJMNSFRXDPBRPZ-PKOBYXMFSA-N 275.480 4.894 30 10 CJEE C#CC[C@@H](C)COc1cccc(Oc2ccccc2)c1 2196718236 FLADHOVEWDIZIV-OAHLLOKOSA-N 266.340 4.517 30 10 CJEE C#CC[C@H](C[C@]1(CNC(C)(C)C)CC=CCC1)C1CC1 2196837009 NTONEKMXXBZGPT-MJGOQNOKSA-N 273.464 4.541 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1 2201125335 ODOJVHOAXWCHNJ-OFQRWUPVSA-N 288.822 4.982 30 10 CJEE C=CCCCC[C@H](NCCC)c1cc(C)cc(OC)c1 2201183520 OBFNBRCJRGHMET-SFHVURJKSA-N 275.436 4.791 30 10 CJEE CCCCC#CC[C@@H](O)C(CC)(CC)c1ccccc1 2203780907 HNEJCDLKNIJURZ-GOSISDBHSA-N 272.432 4.689 30 10 CJEE CCCCCCCCCC(=O)CC[C@H]1CCC[C@@H](N)C1 2205526088 ZLBSZXLNKCIGAW-IAGOWNOFSA-N 281.484 4.994 30 10 CJEE C=CCCCCCCN(C)Cc1ccncc1C(F)F 2206897097 LCJCYPSCIAKLGD-UHFFFAOYSA-N 282.378 4.588 30 10 CJEE C=CCCCCCC[C@@H](NN)c1ccccc1C(C)C 2206898133 QCDBXLLJYZCLHH-GOSISDBHSA-N 274.452 4.841 30 10 CJEE C=CCCCCCC[C@H](NC)C1(O)CCCCCCC1 2206898952 JVBJZNKHDWXVGT-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=CCCCCCC[C@@H](NN)C(C1CCC1)C1CCC1 2206900260 RSHFKCCEQPUSQQ-QGZVFWFLSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CC[C@@H](COC)C1 2207426442 BJLBSTPHHWRHHA-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@]12CC[C@@](C)(C1)OC2 2207428306 WZNCKULOUQDNRK-BZSNNMDCSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCN[C@@H](C)C1 2207430358 UCRIFAFOZBWRMS-IRXDYDNUSA-N 279.468 4.641 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1ccsc1C 2207451761 CUZQPGBEGVTEAZ-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCCCCCN(C)C1[C@@H]2[C@@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32 2208401039 YHZUMNHSNOOSCT-TYENPDHQSA-N 275.480 4.569 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1scc(C)c1C 2213656357 PLLPNBPAGSTZGW-BXUZGUMPSA-N 251.439 4.618 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218342871 FVZREDSWODUXPZ-HZMVEIRTSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCC1(O)CCC2(CC1)CC2 2220091499 GDXILQPPNIMRSI-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCCO[C@H](C)C[C@H](C)NC 2223216697 XFGPYUKFHGKRNK-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2225338383 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CCCCCCCCC[C@]1(C)N[C@@H](CC)CS1 2252953390 QHCGNRZFONSPOW-LSDHHAIUSA-N 257.487 4.958 30 10 CJEE CCCCCC#CC[C@@H](N)c1csc(C2CC2)c1 2256049011 YCLTYMOTCZWEIT-OAHLLOKOSA-N 261.434 4.599 30 10 CJEE C=CCCSc1cc(Cl)ccc1CN[C@@H](C)CC 2258980975 KMSHYPKSMNUMLU-LBPRGKRZSA-N 283.868 4.896 30 10 CJEE C=CCCCCCCCN[C@H](C(F)F)[C@H](C)CC 2259107533 LJSMGLSHZOPMSM-KGLIPLIRSA-N 261.400 4.782 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@H](C)CC[C@H]1CNCC 2259194745 XAOURJBYDZAZLW-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CCCCC1(C)C 2259199452 RQUBSIHGZOUWLF-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE N[C@H](CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2261114858 FHFGQNOLJIZULZ-OAHLLOKOSA-N 282.214 4.577 30 10 CJEE C=CCCCCCCCCC[C@@H](N)Cc1cnsc1 2265399015 LKPRTZVYJIBHJZ-MRXNPFEDSA-N 280.481 4.710 30 10 CJEE CCCCCCCCN(C)Cc1ccc(C)cc1F 2266849765 FMBWAEKJYWYTRY-UHFFFAOYSA-N 265.416 4.926 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ccc(O)cc1C 2268035050 NWRRLRAJECQYSG-QGZVFWFLSA-N 264.409 4.659 30 10 CJEE CCCCCCCC(=O)c1nc(C)cc2occc12 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282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](CCCC)OCCC(=O)O 2291698540 QBAUUBDXLHSMEK-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@@H](C)C(C)C 2292796142 JXARLIPWXFCYQT-ZWKOTPCHSA-N 283.500 4.929 30 10 CJEE C=CCCCC[C@H](OCCN)c1ccc(C(C)C)cc1 2293275683 VHSKADZKOVNSFQ-SFHVURJKSA-N 275.436 4.573 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C[C@H](F)C1)OCCN 2293344097 AHLBKGTWZWOSHX-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@]1(C)CC1(F)F 2293371549 DDKANXRFQPJZQC-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1CC(C(C)C)C1 2293543965 ZWDVJYHBQJMRRP-DAWZGUTISA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@@H](C=C1CCC1)OCCCN 2293980217 YUVLMIZHBCBKCF-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)Cc1ccsc1C#N 2294719532 PPRMXGZJRZEIAO-KGLIPLIRSA-N 290.476 4.656 30 10 CJEE CC1(C)CCC[C@@H]([C@@H](N)C#Cc2ccccc2Cl)CC1 2295195385 SMICQDRXNJDWLB-WBVHZDCISA-N 289.850 4.625 30 10 CJEE CCCC1CCC([C@@H](O)C#Cc2ccccc2Cl)CC1 2295203060 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C=CC[C@H](C)S[C@H](C)[C@H](NCCC)c1ccccc1 2335103555 NKNGZUNCCCZDHD-UXLLHSPISA-N 277.477 4.814 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1sc(C)c(C)c1C 2337529709 AFDRCOMCGLEJSX-INIZCTEOSA-N 275.461 4.518 30 10 CJEE C=CCC(CC=C)[C@H]1CCCCC[C@H]1CNC1CC1 2338665446 JLJDHWREGDZZBS-FUHWJXTLSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](N)[C@H]1C[C@@H]1C1CCCCCC1 2338677604 PFQCKDMRRYTWIP-FGTMMUONSA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@@H]1C1CCCC1 2338732752 LQZPEKSJMXONBL-KURKYZTESA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(OC)c(Cl)s1 2340269269 BOELIWYYZMRIKG-CQSZACIVSA-N 299.867 4.829 30 10 CJEE C=CCCCCCCN(C)CC[C@@H]1CC[C@@H]1C1CC1 2342590063 LOKFRWBWFLMGKX-ZWKOTPCHSA-N 263.469 4.881 30 10 CJEE CC1=C(C)C[C@H](CNc2cc(Cl)ccc2C#N)CC1 2343449362 HRVAXXSZMOVCEF-CYBMUJFWSA-N 274.795 4.760 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1c(F)cccc1F 2344336850 MCYHWFNUZKQRSB-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC2(C1)CC(C)(C)C2)NCC 2344345093 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110081583 SOPAFVQVVRZPJQ-AEFFLSMTSA-N 277.452 4.713 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(CC(C)C)CC(C)C)C1 110263439 MWEOBVWYRDAUPC-RCCFBDPRSA-N 278.484 4.709 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccccc2C)C1 110263486 PAIDZCDOTGIQIT-JENIJYKNSA-N 284.447 4.535 30 10 CJEE N#Cc1cc(F)ccc1Oc1ccccc1C(F)(F)F 111036930 BJRRTJDBXMJQKX-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCC[C@H](O)Cc1c(F)cccc1F 122908053 MXNSKGJTLDYEBR-ZDUSSCGKSA-N 270.363 4.619 30 10 CJEE CCCCCC[C@@H](C)Nc1cc(C#N)ccc1Cl 125698708 VQKPQDNDQHKQNF-GFCCVEGCSA-N 264.800 4.982 30 10 CJEE CCCCCCCOc1cc(C)c(F)cc1[C@@H](C)NC 128361111 ZHFUCJXPTHXCSO-CQSZACIVSA-N 281.415 4.764 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C[C@@H](C)N 128620129 HCTBXVJWOGFHLA-CQSZACIVSA-N 297.870 4.969 30 10 CJEE COc1ccc(C#N)c(Oc2ccc3ccccc3c2)c1 130504103 PAXNERKIPWFMSM-UHFFFAOYSA-N 275.307 4.512 30 10 CJEE CCSc1cccc(Nc2ccc(C)c(F)c2)c1C#N 136613533 FZSKGQQUMOPPNP-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc2nccnc12 139389964 GWAOCXGWPPMHEM-INIZCTEOSA-N 285.435 4.770 30 10 CJEE C#C[C@@H](CC)Nc1c(Cl)cc(Cl)c2c1N=S=N2 162632713 JBOOQFDMPLDUDC-LURJTMIESA-N 286.187 4.544 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccc(Cl)cc1Cl 165165223 NEHSPIUDZSDPKC-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCN(Cc1ccc(C#N)cc1C)c1ccccc1 165488292 WFKZQZMHNITZDN-UHFFFAOYSA-N 278.399 4.673 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166294041 VIVGUPDIRXYOAU-SRCQZFHVSA-N 291.460 4.799 30 10 CJEE C=CCCC[C@H](NCC)C1(OCC)CCC(C)(C)CC1 166711157 ZBQSZEPDDFQCIR-INIZCTEOSA-N 281.484 4.696 30 10 CJEE C=C(C)C[C@@H](NCCC)C1(OCC)CCC(C)(C)CC1 166722082 PVTCMBUNPWHIHS-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C(C)(C)C)cc1 167787207 PPHIPUAAYPEDTF-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCCCC#CCCO[C@@H]1CCCCO1 207262386 BZFIDYLEKOHHQR-KRWDZBQOSA-N 266.425 4.674 30 10 CJEE CCCCCCCCCCCCOCCC(=O)OCC 216410503 YUCWDSDPJVZVKG-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE C=CCC[C@H]1C[C@@H](CC)CC[C@@H]1CNCC(C)C 219364977 HGWYBEXMBQOFHT-YESZJQIVSA-N 251.458 4.641 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CC)CC[C@H]1CNC(C)C 227519513 MDEMFKHVVBDJFH-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE CC(C)(C)c1ccccc1Oc1cccc(C#N)c1 227633517 TUPFPYGDVJJDDS-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE CCCCc1ccc(Oc2cccc(C#N)c2)cc1 227636709 IJGMWVYJFIAGKO-UHFFFAOYSA-N 251.329 4.693 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(Cl)cc1)NCC 233537627 ITUMEEYZDRBXJJ-KRWDZBQOSA-N 279.855 4.997 30 10 CJEE N#Cc1ccnc(Nc2cc(Cl)cc(Cl)c2)c1Cl 236063745 DBJVROHZOKEDAZ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCCCCC[C@H](N)c1cc(Br)cs1 236302529 XECXZQHDDGKDMF-NSHDSACASA-N 288.254 4.647 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1NCC 250797796 BODOORZWDUOJKY-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@]1(C)C1CC1 250800390 CHVPIYSEYJDQNA-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCOc1ccc(N=CC=Nc2ccc(OCC)cc2)cc1 254683781 ZMSYCBIGPSEUJN-UHFFFAOYSA-N 296.370 4.589 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl 274347942 OHATWYCEUGHOEV-SECBINFHSA-N 287.737 4.818 30 10 CJEE C=CCSC[C@H](NCC)c1ccc(C(C)(C)C)cc1 311363224 BLXAAGHUJABMSZ-INIZCTEOSA-N 277.477 4.554 30 10 CJEE CCCCCCC[C@]1(C)CC[C@@](C)(CNCCC)O1 312037354 UIKAKGUYQCFPNR-SJORKVTESA-N 269.473 4.674 30 10 CJEE CC(C)(C)CCCOc1ccc(C#N)c(C(F)(F)F)c1 312435353 BPPGQJOYAOYAOC-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCCC(F)(F)C2)C1 317330801 QEDRSENONHZTBR-KFWWJZLASA-N 272.379 4.988 30 10 CJEE CC(C)C1CCC(C#N)(COCCC(C)(C)C)CC1 328192467 QOAFEKBGBFWZNP-UHFFFAOYSA-N 265.441 4.795 30 10 CJEE N#C[C@@H](Sc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 380624068 BLHKPAAUGDEKCC-JUFZMCDQSA-N 277.820 4.760 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)C(C)(C)C 382027812 QQNLTBBNZIYHIA-MRXNPFEDSA-N 270.505 4.575 30 10 CJEE C=CCCCCN[C@H](CC)c1cccc(Br)c1 383477234 RDDRGGSAVJDUFN-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE Cc1ccccc1N[C@@](C)(C#N)[C@H]1CC2CCC1CC2 394610000 ARDJMEUVQCCHLG-OBQMCRIKSA-N 268.404 4.516 30 10 CJEE CCCCCCCC1(O)CCC(CSC)CC1 395108893 NTWGQCGAHBFQOM-UHFFFAOYSA-N 258.471 4.631 30 10 CJEE CCCCCCCCCC(=O)CCC[C@H]1CCOC1 400921680 JNUPFDAGDWBNNK-INIZCTEOSA-N 268.441 4.903 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1O 402249977 HQOYYBALWTUWPI-HRCADAONSA-N 282.468 4.571 30 10 CJEE CCCCCCC[C@H](NC)c1cccc2cnsc12 402942734 NIVPNAPPSJUKHL-HNNXBMFYSA-N 276.449 4.917 30 10 CJEE CCCCCCCCC(=O)CCN(C)C(=O)OC(C)(C)C 405474229 PMXWSRMODNQTEK-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1OC(C)(C)C 466866612 HRQXLXVZYLJRTL-GFCCVEGCSA-N 293.382 4.544 30 10 CJEE C#CCCCCCNc1ccc(Cl)cc1Cl 686679324 YXUWQOZDYCHIAN-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE C#CCCCCCN[C@@H](C)c1ccc(Cl)cc1Cl 686683331 WSVJTFWVLUQAHK-LBPRGKRZSA-N 284.230 4.838 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)c1ccccc1)NN 686730627 JLGAABTUDOIHPA-KRWDZBQOSA-N 276.468 4.547 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCC2)CCS1)c1ccccc1 687320161 UFZCOKFFHXCFRO-CQSZACIVSA-N 288.460 4.533 30 10 CJEE Cc1cc(Nc2c(C)cccc2C#N)cc(C)c1Cl 690233897 ADNFRPNESAFWNL-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCC1(Nc2ccc(C#N)cc2Cl)CCCC1 690791085 OIPZNLLGQYGWGD-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE CCc1ccc(N=C2N[C@](C)(CC)CCS2)cc1Cl 691283275 SQUMEQREYVLIPU-OAHLLOKOSA-N 296.867 4.785 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C3CC3)C(C)(C)C)C[C@@H](C1)C2 697316406 VHFYWVSZDSJPQH-ADNJVRNUSA-N 261.453 4.536 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1C=C[C@@H](N)C1 697385035 NYQLVXZPVPXZCF-KSZLIROESA-N 281.484 4.562 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCCC[C@@H]1C(C)C 701918455 HGVIUSGXZYMTCA-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE Cc1cc(C#N)ccc1Nc1cc(Cl)cc(F)c1F 709497476 HCGBXNCVYWSTJV-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CC(C)(C)OC1(C)C 711366659 UWIQRGNBJFBOBY-HUUCEWRRSA-N 269.473 4.658 30 10 CJEE CCCCCCCCC[C@@H](O)CCCOC(F)(F)F 713428105 RESOOYGGBFXKKN-CYBMUJFWSA-N 284.362 4.805 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)c(Cl)c1 715703006 FRIXHFWDATVSNW-SWLSCSKDSA-N 251.801 4.511 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@H](C)CO1 718522621 VICPVPQUQNLFHX-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCC1(O)CN(CCCCCCCCCCCC)C1 720897888 KQGBHJIGFWOXQO-UHFFFAOYSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)cc2)CC1 724549907 RZCYBVFWGSCZPY-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@](C)(CC)OCC)CC1 724570289 AJRGVIGZHLIORS-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2C[C@H]2C(C)(C)C)CC1 724611476 XCULKXVMTYIHFL-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C1CCCC(/N=C2/N[C@@H](C3CCCC3)CCS2)CCC1 725080070 GXEUDLCHODUKRV-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE O=[N+]([O-])c1ccc(Cl)cc1C=Nc1ccc(Cl)cc1 1088679983 XYLSAVUVPPMAIN-UHFFFAOYSA-N 295.125 4.652 30 10 CJEE C=C(C)[C@H]1CC=C(CN(CCC)C(=O)NC(C)(C)C)CC1 1088736231 OBRWOYIZWNYEDU-INIZCTEOSA-N 292.467 4.509 30 10 CJEE C=CC[C@H]1N(C(=O)c2cccc(Cl)c2)CCCC1(C)C 1270793038 NQUSFHGNOLNENT-OAHLLOKOSA-N 291.822 4.547 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OC)cc1Cl 1308462068 KQRKJEHRYFYVAF-GUYCJALGSA-N 293.838 4.573 30 10 CJEE C=CCN(Cc1ccc(F)c(Cl)c1Cl)C(C)C 1308585666 QMAJBPRLGVDGPS-UHFFFAOYSA-N 276.182 4.529 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccccc1 1352104023 INUNNXINMDIAOD-PBWTXFEYSA-N 299.458 4.677 30 10 CJEE C#CCCCCCC(=O)N[C@@H](c1ccccc1)C(CC)CC 1353907767 RHRWSMGBXKDVBS-HXUWFJFHSA-N 299.458 4.864 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1435157840 XPUNCQVZFGXIFP-XGWLTEMNSA-N 291.822 4.510 30 10 CJEE C=CCCCCCN1CCCSc2ccccc21 1460299236 YJXUXKXKMWBCAH-UHFFFAOYSA-N 261.434 4.735 30 10 CJEE C=CCC[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 1465183813 AROFZVYIZIFTOX-QGZVFWFLSA-N 298.361 4.655 30 10 CJEE C=C[C@H](C(=O)Nc1cc(CC)ccc1CC)c1ccccc1 1465472094 KBSTXVDIZAOPLT-SFHVURJKSA-N 293.410 4.720 30 10 CJEE C#CCCCCCCN1CCC[C@](C)(c2ccccc2)C1 1473158246 UFOAAQLVPOQXEP-FQEVSTJZSA-N 283.459 4.624 30 10 CJEE C=CCC1(NCC[C@@H]2CCc3ccccc32)CCCC1 1473646423 BVXCILJRPRDCJF-KRWDZBQOSA-N 269.432 4.585 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 1474637848 NDVBBYAFDJLBOE-ZQEOTTOMSA-N 287.422 4.578 30 10 CJEE C=CCC1(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCCCC1 1514649888 IFPNNAZDJCVPDT-SJORKVTESA-N 289.463 4.598 30 10 CJEE C=CCCCCCCCNC(=O)c1cccc(C)c1C 1524525175 CLTVXVZTOYXJNI-UHFFFAOYSA-N 273.420 4.560 30 10 CJEE C=CC1(CC(=O)NCC(CC)(CC)CC)CCCCC1 1525709176 JLGPBAAJFFVASB-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCCC(=O)O[C@H](c1ccccc1)C1CCCCC1 1529245684 KAXNSLFOTROCKJ-GOSISDBHSA-N 272.388 4.817 30 10 CJEE C=CCCc1ccccc1NC(=O)C1(CC=C)CCCC1 1530116385 RBNLWMZLHRPLRV-UHFFFAOYSA-N 283.415 4.880 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccccc1OC1CCCC1 1534186584 STDOPGKUHLYCCH-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC)CCCC 1535722268 QUCBFHZTKOZYBF-ZWKOTPCHSA-N 287.447 4.506 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)CCCCC 1539321500 WBEXVPBABGQFKQ-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 1543130317 ULIIRANQDRKTCW-QGZVFWFLSA-N 299.801 4.512 30 10 CJEE C=C[C@H](OC(=O)[C@@H]1CCCCC1(C)C)c1ccccc1 1587282432 GJKGDTHTQLXFJT-HOTGVXAUSA-N 272.388 4.673 30 10 CJEE C=CCC[C@H](NC[C@@H](OC)c1ccccc1)c1ccccc1 1616738044 JTGWTCYKWGDWNR-VQTJNVASSA-N 295.426 4.671 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](CC)CCCCC)c(Cl)c1 1618186029 CGHFOTKJZFJFNP-CQSZACIVSA-N 291.822 4.866 30 10 CJEE C[C@@H](CCC#N)CN(C1CC1)[C@H](C)c1ccccc1Cl 1621222701 BFRQANUJMHVQHG-UONOGXRCSA-N 290.838 4.805 30 10 CJEE C=CCCC1(CNc2ncnc3ccc(F)cc23)CCCC1 1640153088 ZUGLDQAQYFQZLZ-UHFFFAOYSA-N 299.393 4.707 30 10 CJEE C=CCCCN(Cc1ccccc1)Cc1ccc(OC)cc1 1644806045 GYDJYBKTIXZJBK-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C=C(C)COc1cccc(NCc2cccc(OCC)c2)c1 1647041836 JJYAYKPBJLCFIE-UHFFFAOYSA-N 297.398 4.652 30 10 CJEE CCCCCCCCCN[C@H]1CCO[C@@H](C(C)C)C1 1648725161 GFFXGYXHWROOSL-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=CCCCN[C@@H](Cc1ccccc1)c1cccs1 1653241455 ZPRPUGZAMMEFIS-INIZCTEOSA-N 271.429 4.588 30 10 CJEE C=CCN(CC1CCCCC1)c1nc2cccc(C)c2o1 1655308331 CPUQXGGDXSTYBX-UHFFFAOYSA-N 284.403 4.709 30 10 CJEE C=CCCC[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccccc1 1655463799 YIBFBJXVZQLNKS-OALUTQOASA-N 299.458 4.775 30 10 CJEE C=CCC[C@@H]1CCCN1CCCc1ccccc1Cl 1656376669 CAZQKNBTJNSIML-MRXNPFEDSA-N 277.839 4.703 30 10 CJEE C=CCCCCN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 1657158473 RWNCTJHKHOYQHI-FJIDUMEYSA-N 261.453 4.633 30 10 CJEE C#Cc1ccc(NCc2cc(C)cc(C)c2)c(Cl)c1 1658695471 WSEOTWVLUWTASY-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE CCCCCCCN1CCO[C@H](c2ccc(Cl)cc2)C1 1658747329 WCPHREIGWNAECR-KRWDZBQOSA-N 295.854 4.684 30 10 CJEE C=CC[C@@H]1CCN(C/C=C/c2c(C)cc(C)cc2C)C1 1659734102 QQTNPDOXQDTGFD-JHTBKMLMSA-N 269.432 4.523 30 10 CJEE C=CC[C@@H](C)N1C[C@H](C(C)(C)C)Cc2ccccc21 1659773929 SFJOFBJUNNPOJH-GDBMZVCRSA-N 257.421 4.676 30 10 CJEE C=C1CCC(CN[C@@H](CC)Cc2ccc(Cl)cc2)CC1 1659981027 ROZGYBQUKWKPQQ-SFHVURJKSA-N 291.866 4.997 30 10 CJEE C=CCCCC[C@@H](C)Nc1c[nH]nc1-c1ccccc1 1664199904 SIAULKJLLUNPNL-CQSZACIVSA-N 269.392 4.624 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 1664987247 JKPWEXHTJDAWRQ-NYLDSWQDSA-N 291.438 4.710 30 10 CJEE C=CCCCCCCCNC(=O)NC1CCC2(CC1)CC2 1682336650 MZBVMPHHEGYLIQ-UHFFFAOYSA-N 292.467 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CCCCCCCCCCOC(=O)[C@@H](C)[C@H](C)S 2223230418 ZRMSVJJHRNUYAY-KBPBESRZSA-N 274.470 4.625 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCCCCCCCO)C1 2224965515 JYQOYJGTCFORPJ-KRWDZBQOSA-N 265.441 4.820 30 10 CJEE O=C[C@@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCC12CCC2 2225360009 BUFDEHRFQDYIIL-MPGHIAIKSA-N 260.421 4.742 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCC[C@H](C)O1 2226893128 URVMAFOAUXBYLC-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@]2(C(C)C)C[C@@H]12 2227274687 WPNKEVAQNBPXTK-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCN1CCCC12CCSCC2 2227280100 LYWRXAHGMUPWEH-UHFFFAOYSA-N 281.509 4.875 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)[C@@H](CC)C(C)C 2227292277 YSIAYEZENMAHKW-DOTOQJQBSA-N 268.441 4.515 30 10 CJEE CC[C@@H]1C[C@@H]1CC[C@@]1(C#N)CCCc2ccccc21 2228258695 GJMOEIZMVSFRIV-UWWQBHOKSA-N 253.389 4.611 30 10 CJEE CCCCCCCCCO[C@@H]1CCC(C)(C)[C@H](N)C1 2230990936 AZNZAWYWCQDKGD-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE C=C[C@@H](CCCCC)OCc1csc(CNCC)c1 2231028293 PVAMSIFGDIBMLH-HNNXBMFYSA-N 281.465 4.509 30 10 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C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1 709105094 FUZFOZZVQWEPMU-SMDDNHRTSA-N 277.795 4.589 30 10 CJEE C[C@H](CC(C)(C)C#N)SCc1ccc(Cl)cc1 709991007 PSPAGUZCALSOTA-LLVKDONJSA-N 267.825 4.902 30 10 CJEE C=C(C)[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1 711110436 QAHWZBZUKRIFDA-OAHLLOKOSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](O)c1oc(Br)cc1C 715781319 RKCTYZWHUJCZFC-NSHDSACASA-N 289.213 4.744 30 10 CJEE CCCCCCCCCCN[C@@H]1COC[C@@H]1CC(C)C 716331328 WWCAFBUODBKAMC-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)[C@@H]1CCCO1 720237561 DIBQLCUWJDCISM-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE CC[C@@](O)(CC1CCCCC1)C1(C#N)CCCCC1 720399421 KXCATMVVOJTCCC-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE CCCCCCCCCN[C@H](CC)[C@H]1CCCOC1 723965772 QIPNMOFXDRNWHY-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=C1CCC(CC(=O)[C@H](CC)CC(F)(F)F)CC1 724583211 LFLSWBKFQZOPIL-GFCCVEGCSA-N 262.315 4.671 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 724589056 NZFIBUHNINMSPV-FGTMMUONSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@@H]2CCCC[C@H]2CNC(C)C)CC1 724616256 JULQPRKRRHIIPM-ROUUACIJSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(CC2CC2)cc1CC1CCCCC1 725393833 UDRPZFSMGBBYPT-UHFFFAOYSA-N 253.389 4.634 30 10 CJEE CCc1ccc(C#Cc2ccc(F)c(C(F)(F)F)c2)cc1 725427664 FFHFPGFAFQLXTN-UHFFFAOYSA-N 292.275 4.807 30 10 CJEE C=CCCCC(=O)O[C@H](C)c1sc(C(C)C)nc1C 779311341 RMJJBQHCMJTVQI-GFCCVEGCSA-N 281.421 4.535 30 10 CJEE CC/C(=N\OCc1cccc(F)c1)c1ccc2c(c1)CCC2 821223939 FSLCLTDVTRCZKC-XUTLUUPISA-N 297.373 4.645 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(F)c(C)c1 821224846 YOUZZJOKKAPBNK-CZIZESTLSA-N 285.362 4.773 30 10 CJEE Cc1ccc(/C(=N/OCc2cccc(F)c2)C2CC2)cc1C 821226825 LJQWDXSRKCMOOB-XUTLUUPISA-N 297.373 4.773 30 10 CJEE C=C1CCC(C(=O)Oc2ccc(OC)c3ccccc23)CC1 1126429652 SNHNFYLVWZALPO-UHFFFAOYSA-N 296.366 4.500 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCc1ccc(CC)cc1 1171920339 CZKFAHKTBLQDRR-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE C#Cc1cccc(NC(=O)Nc2ccc(CC(C)C)cc2)c1 1196686325 FUZKTOGMXPISJX-UHFFFAOYSA-N 292.382 4.510 30 10 CJEE C=CCC1(CNCc2cc3c(C)cccc3[nH]2)CCCC1 1202380723 HUEYTDLEGCXRGR-UHFFFAOYSA-N 282.431 4.702 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cccc(C)c1C 1202798531 ZRZCHHGNVKFCPA-HXUWFJFHSA-N 279.427 4.580 30 10 CJEE C=C[C@@H]1CCCCN1C/C=C/c1c(C)cc(C)cc1C 1205583824 WAIAQLZWQJZLPU-XSFOEPMVSA-N 269.432 4.666 30 10 CJEE C=CCC1(CNCc2ccc3nc(C)ccc3c2)CCCC1 1205789480 NEQZBYQOXZXKME-UHFFFAOYSA-N 294.442 4.769 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1208681212 DMQZCHPFCRCXDG-UHFFFAOYSA-N 292.398 4.553 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(-c2ccc(C)cc2)n1 1289185855 FTBVKPQCWHWWFI-HNNXBMFYSA-N 294.398 4.598 30 10 CJEE C=CC1(CC(=O)Nc2cc(Cl)ccc2O)CCCCC1 1446519092 UIEUUBJBRIBNRS-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C#CCCCCCCN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 1459426991 ANOCVTGGHUNIEB-HAGHYFMRSA-N 287.491 4.861 30 10 CJEE C=CCCCCCN(CC)[C@@H](C)c1cccc(O)c1 1459563337 GZAHKYHYENMHRJ-HNNXBMFYSA-N 261.409 4.522 30 10 CJEE C/C(=C\C(C)(C)C)C(=O)Nc1cc2ccccc2cc1C#N 1460853183 SGORAMPSFLGWRV-ACCUITESSA-N 292.382 4.642 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)CSc1ccc(C)cc1 1462121462 XORWRCTUDRJEEG-JKSUJKDBSA-N 277.477 4.810 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(Nc2ccccc2)c1 1464879120 KJYGYQZKTZCOEJ-UHFFFAOYSA-N 280.371 4.725 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 1474526190 LTCGLKFNMOKRQQ-BXUZGUMPSA-N 297.364 4.816 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 1474526193 LTCGLKFNMOKRQQ-SMDDNHRTSA-N 297.364 4.816 30 10 CJEE C=C(C)c1cccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c1 1477187926 YRYWIHVLOPVDFP-KYJSFNMBSA-N 298.430 4.905 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@H]1CCCC[C@@H]1C 1477696286 MILLCQCLOKDBBZ-DLBZAZTESA-N 294.483 4.639 30 10 CJEE C=CCC1(C(=O)N[C@H](C)Cc2ccccc2C)CCCCC1 1527448091 AREPNNVYUKYTOL-QGZVFWFLSA-N 299.458 4.569 30 10 CJEE C=CCN(C(=O)[C@@H](CCCC)C(C)C)c1ccccc1 1532545547 TZNLGYSIGLEXIF-KRWDZBQOSA-N 273.420 4.668 30 10 CJEE C=CCCC(C)(C)CNCc1cc(C(C)(C)C)oc1C 1560554737 KLLNOGOCVVLILU-UHFFFAOYSA-N 277.452 4.968 30 10 CJEE C=C(C)c1cccc(NCc2ccc(F)c(C)c2)c1 1560612039 UWWSYUSRUXUABN-UHFFFAOYSA-N 255.336 4.779 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CC[C@H]2C[C@H]2CC1)c1ccccc1 1583036586 GXUZUXJZVOHEEN-OKYOBFRVSA-N 297.442 4.636 30 10 CJEE C=CC1(CC(=O)OCc2ccc(F)cc2C)CCCCC1 1583279174 KWIYCQNUDRGIOG-UHFFFAOYSA-N 290.378 4.704 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@@H]1CCC[C@H]1C)c1ccccc1 1585904470 XVWQRDUHFNLUBF-NEWSRXKRSA-N 299.458 4.679 30 10 CJEE Cc1cc(C)cc(C#Cc2ccc(C(F)(F)F)cc2)c1 1614731277 VDAMBFLIRINNKF-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C=CCC[C@H](C)NCC1(Cc2ccccc2)CCCC1 1621202283 DDXXRKUGAYGGDN-KRWDZBQOSA-N 271.448 4.734 30 10 CJEE C=C(C)[C@H](NC1CCCCCC1)c1ccc(F)c(F)c1 1621261413 SSSKHUBTCLOWKG-KRWDZBQOSA-N 279.374 4.894 30 10 CJEE C#Cc1ccc(CN2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1 1621326669 UHRSSUPXYZKAPF-LAUBAEHRSA-N 289.422 4.641 30 10 CJEE C=CCCCC[C@H](C)NCc1ccc(C2CC2)cc1F 1621374313 UPOFPLFLKZTAAU-AWEZNQCLSA-N 275.411 4.928 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)[C@@H](C)c1ccc(OC)cc1 1621510625 CKFFALILEUMAOA-HZPDHXFCSA-N 289.463 4.769 30 10 CJEE C=CCCCCCCCNc1nc(C)nc2c1CCCC2 1639994088 IUXXWAMCNRGONX-UHFFFAOYSA-N 287.451 4.602 30 10 CJEE C=CCN(CC=C)Cc1ccc(-c2ccccc2)cc1OC 1652044720 XTDQLVMQXLPMSO-UHFFFAOYSA-N 293.410 4.536 30 10 CJEE C=CCCCCN[C@@H](c1cccc(Cl)c1)C(F)F 1654617195 ZVQKOMYMRGUIOI-ZDUSSCGKSA-N 273.754 4.592 30 10 CJEE C#CCCOc1ccc(CN[C@@H]2CCC[C@H]2CCCC)cc1 1656310323 SFFYJAABVOIVLF-UYAOXDASSA-N 299.458 4.537 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(C3CC3)cc2F)C1 1660555347 NTKZWICNBWWNEB-SWLSCSKDSA-N 259.368 4.860 30 10 CJEE C=CCC(C)(C)CN[C@H](C)Cc1ccccc1SCC 1664832652 GHWBUYOLUCKRRC-OAHLLOKOSA-N 291.504 4.922 30 10 CJEE C=CCCCCCCCCNC(=O)Nc1cccc(F)c1 1772560836 LPAUMMYZSGIZOW-UHFFFAOYSA-N 292.398 4.864 30 10 CJEE CCCCCCCCCCN=c1[nH]c2cc(F)ccc2o1 1859792508 FUABAVSPYUHOQX-UHFFFAOYSA-N 292.398 4.941 30 10 CJEE C=CCOc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 1874595872 ALEHKRKJQZLMQK-PKNBQFBNSA-N 292.378 4.764 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2CC[C@H](CCC)CC2)CCC1 1878033933 HDYNMBOMJKKNNR-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2cccs2)CC1 1878038794 HPYFKGJNCBVMFR-MGPQQGTHSA-N 275.417 4.531 30 10 CJEE CCCCCCCCN1CCC(F)(C(F)(F)F)CC1 1883318807 BWYHMQYMQNKVIA-UHFFFAOYSA-N 283.353 4.713 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)CC1=O 1883858392 OEJYHZDRAVQFRK-INIZCTEOSA-N 267.457 4.776 30 10 CJEE C=CCCCCCN(C)[C@H]1CCC[C@H](P(C)(C)=O)C1 1884238553 WDRVVOLANSIBHT-HOTGVXAUSA-N 285.412 4.599 30 10 CJEE C=CCCCCCCCCN(C)OCc1ccccc1 1884268945 DLBZFQWPPKPVRJ-UHFFFAOYSA-N 275.436 4.967 30 10 CJEE CC#CCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 1885238171 SJCLHDFWEYCUAL-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE C=C1CCC(C[C@@](C)(O)c2ccc(F)cc2Cl)CC1 1886403958 OOFABLPAGXHFKN-MRXNPFEDSA-N 282.786 4.823 30 10 CJEE C#CC[C@@H](C[C@](C)(N)c1cc(Cl)ccc1Cl)C1CC1 1887407143 JRARARMEYALYBW-LRDDRELGSA-N 296.241 4.607 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(Cl)ccc1C 1887476629 URKLEPSWMJNKHN-CXAGYDPISA-N 277.839 4.739 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1scc(Cl)c1Cl 1901008227 DNVRMHHMMOZOMD-LLVKDONJSA-N 276.232 4.823 30 10 CJEE 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OCTDOBYVIPFUNR-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CCC(CC)(CS)COc1ccc(C(C)C)cc1 94582586 VJMRFUIXEJRCIO-UHFFFAOYSA-N 266.450 4.925 30 10 CJEE CCCC(CS)(CCC)COc1ccc(CC#N)cc1 94582592 OBAKQVHVBRWNPW-UHFFFAOYSA-N 291.460 4.648 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cccc(Cl)c2)cc1C 103030701 RZWKYWNROGMDPL-HJWRWDBZSA-N 285.774 4.765 30 10 CJEE CCCCCCCCCCNC(=O)/C=C\c1ccccc1 108585997 CZAQJGUJKDDKTN-NXVVXOECSA-N 287.447 4.957 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1O 110022443 CKOIMAWZQAQUQU-IXDOHACOSA-N 284.484 4.939 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1)C(C)(C)C 111650386 FYLJAOOMZQZGLO-RISCZKNCSA-N 277.795 4.589 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)CCN2C 115835273 ZUWFHJCPBRTBCD-LJQANCHMSA-N 289.463 4.853 30 10 CJEE CCCCCCCCC(=O)[C@](C)(CC)N1CCCC1 118158594 UVRKTRXQFJFWIN-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE CCCCCCCC[C@H](N)[C@]1(N(C)C)CCC[C@H](C)C1 118184822 MBCKSOBDBBACGI-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CCCCCCC[C@H](NN)c1cc2ccc(F)cc2s1 122291510 WRFKFSLOUJSERT-AWEZNQCLSA-N 294.439 4.905 30 10 CJEE CCCCCCCCCCNC[C@@H](O)c1cccc(F)c1 129366643 KRCDWINIVBQXPN-GOSISDBHSA-N 295.442 4.589 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccncc1CC 130391034 NVDILPSJTASQGM-GOSISDBHSA-N 291.483 4.679 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnc(C)cn1 140322629 ZBYGQTNZPICCLZ-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE N#CC1(Cc2ccn(C3CCCC3)n2)CCCCCCC1 156740630 NNJTUTDHCMXWKV-UHFFFAOYSA-N 285.435 4.795 30 10 CJEE N#C[C@H](C(=O)c1sccc1Cl)c1cccc(Cl)c1 162984106 HCXFXOKECLSCOC-JTQLQIEISA-N 296.178 4.545 30 10 CJEE Cc1cc(C#Cc2ccccc2)sc1C#Cc1ccccc1 197005698 GPJIDHURYORIBJ-UHFFFAOYSA-N 298.410 4.856 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2cccc(Cl)c2)C1 217815395 GGGGLZLOZXAANO-TZDHZFECSA-N 290.838 4.661 30 10 CJEE CC(C)C[C@@H](C)Nc1ccc(C#N)c2ccccc12 232598244 AKTILEHNBPDURD-CYBMUJFWSA-N 252.361 4.558 30 10 CJEE CCCCCCCCCCNc1cc(SC)ncn1 232920632 ASUKWLSNCCFOMY-UHFFFAOYSA-N 281.469 4.751 30 10 CJEE CCC[C@](O)(CC)C1(C#N)CCC(C(C)(C)C)CC1 233362980 SCQVIFVBBPPJCV-BDVYOWHSSA-N 265.441 4.674 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(OC)cs1 233607767 DTIGBEOMJTWIAY-CQSZACIVSA-N 267.438 4.544 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1ccc(C#N)cc1Cl 233848491 VSFTWRZHVPBVCA-YPMHNXCESA-N 264.800 4.838 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Br)c(C)c1 235756185 STBFOIXIRYBLIM-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE Cc1ccc(NCCCCC(C)(C)C#N)cc1Cl 235762165 HMYPFLXVNKUPNR-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE Cc1cccc(NC2CCC(C(C)(C)C)CC2)c1C#N 235930621 YVRAODQMIHKOEV-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cccc2Cl)c(F)c1F 236209793 ZWNQUCGWEQQXBP-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1F 236315627 BAKNYCFUHKVBNK-CQSZACIVSA-N 289.316 4.981 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(C(F)(F)F)c1 236549974 ACOXKONPMNEEQH-CQSZACIVSA-N 272.310 4.875 30 10 CJEE C#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC(C)C 250589151 ZYYFWTJONCPCDM-FGTMMUONSA-N 277.496 4.724 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@H]([C@H](C)CC(=O)O)C1 250826086 NSWIBYYJCUMGTR-IKGGRYGDSA-N 297.483 4.558 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 252386220 OMOBQWANYQVJCA-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE C=C(C)c1cc(Br)cc(CC(C)(C)C#N)c1 260266587 BRJDUUKCQJZCBN-UHFFFAOYSA-N 278.193 4.574 30 10 CJEE C=C([C@H](NCCC)[C@H](CC)CC(C)C)C(F)(F)F 308090455 GGINLMNRPISBLY-OLZOCXBDSA-N 265.363 4.545 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(CC)s1 310151233 IIKTXHWUIOTWCK-GFCCVEGCSA-N 251.439 4.563 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2ccc(Cl)c(Cl)c2)O1 310386607 COURITYAWITLFZ-MFKMUULPSA-N 270.159 4.517 30 10 CJEE CCc1cc(Nc2cccc(SC)c2C#N)ccc1C 312831264 UGICBVPTTGMYCH-UHFFFAOYSA-N 282.412 4.895 30 10 CJEE N#Cc1cc(F)ccc1N[C@H]1CCCC12CCCCC2 313023198 ZSURIXQZBSWDIC-INIZCTEOSA-N 272.367 4.612 30 10 CJEE C=CCCCCCCNCc1ccc(N2CCCC2)cc1 315136316 SHRZPRZVCDMOFS-UHFFFAOYSA-N 286.463 4.513 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCC[C@H](C)C2)CC1 317238650 NLUBDHAQEPMJDY-SOEBMCCKSA-N 250.426 4.988 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCCC[C@@H]1C 318592970 YPDFMSHJUJUMCI-DLBZAZTESA-N 251.458 4.785 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@]2(CCC[C@@H](CC#N)O2)CC1 382266862 OSNPZZBYKIZFTM-HLLBOEOZSA-N 263.425 4.834 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 385909956 GIYHUHSPFKONNE-XNFNUYLZSA-N 296.458 4.615 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)cc1F 387488637 WAIJWVOAYAQQSE-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@H](CCC1CCOCC1)NC 389114080 LSOBTDSCYCIUFZ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)C(C)(C)O 393990926 SAFYCCFYAOZGSR-INIZCTEOSA-N 271.489 4.656 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@@H](C(C)(C)C)CS1 393992983 IGDXXUYRGBSLEI-CYBMUJFWSA-N 284.513 4.700 30 10 CJEE CSCc1ccc(C(=O)C2=CCCCCC2)cc1 394130836 HUNUBBGEAOMWSQ-UHFFFAOYSA-N 260.402 4.623 30 10 CJEE CC1(C)OB(/C=C2\CCCC[C@H]2c2ccccc2)OC1(C)C 396629834 FKBMBJQLTFYPLM-ZQHZRZASSA-N 298.235 4.902 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 398052253 DXVGLHFPFIQUKM-NSHDSACASA-N 282.309 4.734 30 10 CJEE C=CCCCCCCNC[C@H](CC)CC(F)(F)F 402710921 GEGIZHOYTATLBE-CYBMUJFWSA-N 265.363 4.691 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Br)cc1 404255164 NFTKJJHUZAMPFI-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE CC(C)(CC[C@@]1(C=O)CCc2ccccc2C1)C1CC1 406152309 WOZUWRYNEPJYTE-IBGZPJMESA-N 270.416 4.577 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@](C)(c2ccccc2)CC1 552834997 UYHOKCIWAGPZSD-XLIONFOSSA-N 299.458 4.559 30 10 CJEE CCCCCCC[S@@](=O)Cc1cc(C)ccc1C 586378761 VDCJTXUBAPRHKE-GOSISDBHSA-N 266.450 4.523 30 10 CJEE CC[C@@H](/N=C1/NC2(CCCC2)CCS1)c1ccccc1 687324391 WEQUPWNOCXMLMV-OAHLLOKOSA-N 288.460 4.533 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1C[C@@H]1OC 689912824 AVYGQJGMBUZHNE-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C[C@H]1CCCCC[C@]1(C#N)Nc1cccc(Cl)c1 691099105 FQFMKXPICGAIAT-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)cc(F)c2F)cc1Cl 691331073 OPVVPUMOQLYGBC-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C)c(C)c1 692265549 YVNNIAFFPVJMQR-ROUUACIJSA-N 257.421 4.528 30 10 CJEE CCCCCCCCNc1cc(C2CC2)nc(Cl)n1 692557650 PPVNUYMPJNTJGE-UHFFFAOYSA-N 281.831 4.780 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@H]1C1CC1 695874224 VLJBWZPPGPIFOD-JKSUJKDBSA-N 288.822 4.617 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCCC[C@H]1C(C)C 701918456 HGVIUSGXZYMTCA-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCCCCCCN[C@H](C)[C@@]12CCCC[C@H]1C2 709166122 OBVAHINZMQXPDA-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@@H](Cc1ccc(F)cc1Cl)NCCC 710580612 BAGSZTFJWPIGKN-ZDUSSCGKSA-N 290.209 4.532 30 10 CJEE CC1(C)CC[C@H](CC2(C#N)CCCCCCC2)OC1 714102513 FCZRVNXHZRXAMJ-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE C=CC[C@@H](C)[C@@H](CCc1ccc(C)cc1)NCCC 715794812 AHUCUDRINCIOAI-SJLPKXTDSA-N 259.437 4.508 30 10 CJEE CCCCCCCO[C@H]1CCCCC(C)(C)[C@H]1NC 719225177 VVTPDWMIERIKPA-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC(=O)CCc1ccns1 719817325 OQOSZMUTZYHOLX-UHFFFAOYSA-N 267.438 4.786 30 10 CJEE C=C1CCC(CSc2ccc(Cl)c(C(=O)O)c2)CC1 724541753 MBGFONOYBCOTJN-UHFFFAOYSA-N 296.819 4.877 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccccc2C)CC1 724574575 DOYVODRLHVCHEW-SFHVURJKSA-N 257.421 4.782 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCC(F)(F)C2)CC1 724595590 SYAYDEMWVKSNHC-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C=C1CCC(CC(=O)c2cc3c(s2)CCC3)CC1 724595861 XCEMQWNCWSGIOG-UHFFFAOYSA-N 260.402 4.556 30 10 CJEE CC1(C/N=C2/N[C@@H](C3CCCC3)CCS2)CCCCC1 725079997 GFNSSMZYNMIZMV-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE N#CCc1c(Cl)cc(OC(F)(F)F)c2ccsc12 725287053 ZMFHLIMQPRQNLB-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 823698440 SZNROIKMEPQJHT-LPHOPBHVSA-N 295.426 4.509 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1Cl 1131106596 UPNYGKTXQSQWOG-DZGCQCFKSA-N 291.822 4.513 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CC[C@@H](c2ccc(C)cc2)C1(C)C 1133029657 YHYULISFLUODAG-WMZOPIPTSA-N 299.458 4.692 30 10 CJEE C=CCOCSc1ccc(-c2ccccc2)cc1 1165544840 GKPRRFXNEYLTLQ-UHFFFAOYSA-N 256.370 4.606 30 10 CJEE C=C1CCC(CN[C@H]2CCC[C@H]2Cc2ccccc2)CC1 1207494190 WDQCHAASWZGTFH-PMACEKPBSA-N 283.459 4.734 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1308856669 JHENTZILYIMVOR-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C(/C)c1ccco1)c1ccccc1 1435623398 ZFDAYBVAHMJKFC-NHRMXYMRSA-N 295.382 4.507 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)CSc1ccc(C)cc1 1462121454 XORWRCTUDRJEEG-CVEARBPZSA-N 277.477 4.810 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](C)c2ccc(SC)cc2)C1 1462155830 LHHSXLBYRFSWKU-LZWOXQAQSA-N 275.461 4.804 30 10 CJEE C=CCCCC[C@@H](C)Nc1cc(F)cc(OC(F)F)c1 1462523066 OAOIKBTVXSDURF-LLVKDONJSA-N 287.325 4.974 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(-c2ccsc2)cc1 1473433996 HWTIZTCLMMFEPB-GOSISDBHSA-N 283.440 4.956 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCO[C@H](C(CC)CC)C1 1474396689 MTIDMHWTBNJQLX-BZSNNMDCSA-N 281.484 4.695 30 10 CJEE C=CCCC1(CNC(=O)N[C@@H](C)C[C@H](C)CC)CCCC1 1478002973 OBLLRWNUDGQZIJ-CVEARBPZSA-N 294.483 4.637 30 10 CJEE C=CCCCC(=O)N1CCC[C@H]1CCC1CCCCC1 1517726077 FVPSQLGASZBMJH-KRWDZBQOSA-N 277.452 4.694 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C/c1cccc(F)c1 1518873420 KLOGCSPDJJDQIQ-OUKQBFOZSA-N 295.357 4.596 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1ccccc1)c1ccccc1 1521333473 XWZGPNKORYLZPH-UHFFFAOYSA-N 293.410 4.822 30 10 CJEE C=C(C)CCC(=O)Nc1cc(Cl)c(C)cc1Cl 1526594715 XEBCCMXQHXWXSN-UHFFFAOYSA-N 272.175 4.597 30 10 CJEE C=C[C@@H](OC(=O)c1cccc2c1CCCC2)c1ccccc1 1532387937 QRZKSXXQCQBDIJ-LJQANCHMSA-N 292.378 4.650 30 10 CJEE C=CCCCCNC(=O)C1(c2ccccc2C)CCCCC1 1539483561 JZNWOSHQOVOKQB-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1Cl)C(C)C 1543524965 ILGBVVJYORJLGR-MRXNPFEDSA-N 293.838 4.756 30 10 CJEE C#Cc1ccc(CNc2cc(C)c(Cl)c(C)c2)cc1 1560451088 YHGWJZUBHNMARW-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccccc1C)c1ccccc1 1598379253 DWKPDNVAEBYAJE-LJQANCHMSA-N 293.410 4.822 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1nc2c(s1)CCC[C@H]2CC 1616525579 KBMVMCHIHXOTOH-NWDGAFQWSA-N 292.448 4.514 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1csc2ccccc12 1617459167 XNEVZAROLIJFNT-CJNGLKHVSA-N 299.439 4.766 30 10 CJEE 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4.905 30 10 CJEE C=CCCCO[C@H]1CC(CC)(CC)CC[C@H]1NCCC 2171361883 JJBUVOWWOOVMEH-SJORKVTESA-N 281.484 4.696 30 10 CJEE CCC[C@@H]1CCSC(=NCC2(C)CCCCCCC2)N1 2172662260 SPUYOQHUHVSDML-OAHLLOKOSA-N 296.524 4.988 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CCC[C@@H](C(F)(F)F)C1)NCC 2173291477 ZNFABUCNFGZBHQ-BYNSBNAKSA-N 291.401 4.936 30 10 CJEE C#CCCCC[C@H](NCC)c1cc2cc(C)ccc2o1 2173466511 NZSHNSOMMMUAJX-INIZCTEOSA-N 269.388 4.585 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCC)[C@@H]1CCC[C@@H]1C 2175528726 XHIMTODGVVGKMR-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CC1=C(C)C(=O)[C@H](Cc2ccccc2C(F)(F)F)CC1 2175710445 RZXKACQZXMTXIZ-ZDUSSCGKSA-N 282.305 4.563 30 10 CJEE C[C@@H]1CCC[C@H](CNc2cc(Cl)c(C#N)cc2F)CC1 2177390038 UKZGPQMQSFYBIV-NEPJUHHUSA-N 294.801 4.979 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2Cc3ccccc3C2)C1 2178408253 VZGOYFMUIJORCW-IBGZPJMESA-N 267.416 4.902 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@H]2CCc3ccccc3C2)CCS1 2178413692 DYHFEOBZZITLFZ-VKJFTORMSA-N 285.456 4.607 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2c(F)ccc(F)c2F)CC1 2181643178 QHUQQBDLAUEDER-SNVBAGLBSA-N 282.305 4.669 30 10 CJEE CC[C@H]1CC=C(C(=O)[C@@H]2CCCc3ccccc32)CC1 2181664481 YSUBFCOHIOBRCU-KBXCAEBGSA-N 268.400 4.812 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)CSc2cccc(F)c2)CC1 2181666868 CJPMJEVIPBLCNI-CYBMUJFWSA-N 292.419 4.869 30 10 CJEE C=CC[C@](C)(Nc1ccc(C(C)(F)F)cn1)C(F)(F)F 2182187677 QRPGURLNYWXJGH-NSHDSACASA-N 294.267 4.502 30 10 CJEE CO[C@@H]1CCC[C@](C=O)(C2CCC(C(C)(C)C)CC2)C1 2182796218 KQYIQKIGWDNSNG-IOTAOYMUSA-N 280.452 4.613 30 10 CJEE CC(C)CCS[C@H]1CC(C)(C)C[C@@](C#N)(NC(C)C)C1 2183520485 HQQMOMPRERSISK-RDJZCZTQSA-N 296.524 4.605 30 10 CJEE C=CCC(C)(C)O[C@H]1CCCCCCCC[C@H]1NCC 2187267417 YFLGLAWYSNDZNM-SJORKVTESA-N 281.484 4.839 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CC3(CCCCC3)O2)CC1 2189612953 YMTWYNZZSNWTOS-AQFXKWCLSA-N 278.436 4.654 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCOCC12CCC2 2189775613 BQXSXADYZDIRTI-SJORKVTESA-N 281.484 4.661 30 10 CJEE C#CCCCCC[C@@H](NCCC)C1(CC2CC2)CCC1 2189892274 IPCQDANYDGNGCQ-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CC(C)C(CC[C@@]1(C#N)CCOC12CCCC2)C(C)C 2190616882 AKLOXQHYHMSXKG-KRWDZBQOSA-N 277.452 4.938 30 10 CJEE CC(C)(C)[C@H]1CCSC(=NCC2(C(C)(C)C)CCC2)N1 2192002478 OWRCTZJCHAKTRO-CYBMUJFWSA-N 296.524 4.700 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](NCC)C(C)=C(C)C 2192546589 RACFBSXVQSPEEU-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2NC[C@H](CC(C)C)S2)CC1 2192877808 WQFDSZROKPVSML-JYJNAYRXSA-N 296.524 4.700 30 10 CJEE CC#CCCCC[C@@H](Cc1cccc(Cl)c1)NCCC 2196169855 NIMRDSROBZBYEN-SFHVURJKSA-N 291.866 4.834 30 10 CJEE CCCCCCCN(C)C[C@@H]1CCCCCCC[C@@H]1N 2196739613 UCZZSCMICGYTAD-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C#CC[C@H](C[C@@H](NC)c1csc2ccccc12)C1CC1 2196835258 AOYIMJBVXUOIRN-RHSMWYFYSA-N 283.440 4.601 30 10 CJEE CCCCN(c1cc(Cl)c(F)cc1C#N)C1CCCC1 2197165360 ARMMSJOUCFDMST-UHFFFAOYSA-N 294.801 4.900 30 10 CJEE Cc1ccc(N[C@H](C#N)[C@@H]2C[C@H]2C2CCCCC2)cc1 2200282834 QRUWVIUISVWGGC-RCCFBDPRSA-N 268.404 4.516 30 10 CJEE CC[C@H](C)[C@H]1CSC(=NC[C@@H]2CCCC(C)(C)CC2)N1 2201221155 HKQWPYUAGPQBNN-RRFJBIMHSA-N 296.524 4.700 30 10 CJEE C#CCCCCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 2206335194 VAMUULTXPRRLDE-ZDUSSCGKSA-N 292.492 4.593 30 10 CJEE Cc1cc(F)c(Cl)cc1N[C@@H](CC#N)c1ccccc1 2206399683 KMQPZGXNIXVLKU-HNNXBMFYSA-N 288.753 4.854 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H](OCC)c1ccccc1 2206891297 KJHXXTPTGGZTLJ-MSOLQXFVSA-N 276.420 4.652 30 10 CJEE C=CCCCCCCC(=O)[C@](O)(CCC)[C@@H]1CC1(C)C 2206896641 GTCVSBOXGYJFHX-QAPCUYQASA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@H](NN)c1ccc(CC)o1 2207397915 WXYMSUCQWCZDNZ-INIZCTEOSA-N 278.440 4.653 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cccc(C#N)c1 2207424024 AGHRRZGVPWUUQR-SFHVURJKSA-N 271.404 4.898 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1ccncc1F 2207437543 MNLQGEGRDPHHLW-QGZVFWFLSA-N 278.415 4.788 30 10 CJEE C=CCCCCCCCCC[C@H](O)C12COC(C)(C1)C2 2207437549 MORBJGIDOVIXAI-AOCRQIFASA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@]1(N)CC[C@H](C)C1 2207439146 RXMXRIHHSRAUAH-OKZBNKHCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C(F)(F)C(C)C 2207442406 QQNPOPADBGCCEP-OAHLLOKOSA-N 290.442 4.807 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1cccc(CC)c1 2207444960 NRVUEHGFRYTODU-QGZVFWFLSA-N 276.420 4.543 30 10 CJEE N#C[C@H](c1cccc(Cl)c1Cl)[C@H]1CCC[C@H]1F 2214752827 DORWOBJVORKDEX-UBHAPETDSA-N 272.150 4.739 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1sc(C)c(C)c1C 2215538238 OAUVNVCBWXLCAK-YGRLFVJLSA-N 251.439 4.536 30 10 CJEE CCC(C)(C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2220269105 QOKUOKWSFJQNOF-SNVBAGLBSA-N 284.186 4.606 30 10 CJEE CCCCCCCC[C@@](C)(O)CC1CC(F)(F)C1 2223840432 DPMAXQMHPKYYAI-CQSZACIVSA-N 262.384 4.923 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@H]1CCCC(C)(C)CC1 2225436852 PUHMBVXIPIUAFA-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE CCCC#C[C@@H](NCC)c1cc(-c2cccs2)cs1 2225439153 KVXQAMLGMHHMSL-CQSZACIVSA-N 289.469 4.931 30 10 CJEE CO[C@@H]1C[C@](C#N)(CCCCCCC2CC2)C1(C)C 2225785586 DCDDFWUIFUDOEC-WBVHZDCISA-N 263.425 4.692 30 10 CJEE C=CCCC[C@@H](CC=Cc1ccccc1)NCCC 2226224182 SCYJGQDLYGAIDI-SFHVURJKSA-N 257.421 4.814 30 10 CJEE C=CCCCCCCC[C@@H]1Cc2ccccc2C1=O 2227283671 FNFYYFNPMLGMAN-MRXNPFEDSA-N 256.389 4.958 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)CCCCC 2227290461 HFWYABJKUYDWJH-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2228019814 KIEJIDSMOIAYLW-ZANVPECISA-N 291.744 4.961 30 10 CJEE C[C@H]1CC[C@](C#N)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2230624616 MCOHPMLICSNNOX-GXTWGEPZSA-N 267.363 4.922 30 10 CJEE CCCCCCCCCCOCC[C@@H](C)NCCC 2231019441 ZMIMUDCUEZMMMO-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@@H]1CCCCC1(F)F 2231540439 YPFBUSQIXFWLIL-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CC[C@@H]2C(F)(F)F)CC1 2232683373 CRRSEAITIWFOGM-GQKFXUNGSA-N 290.369 4.997 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NN 2233593604 KIEMMSNSYDCVAA-MLHJIOFPSA-N 280.500 4.785 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccccc1C(F)(F)F 2233798395 KJWAWKQBERECKV-OAHLLOKOSA-N 283.337 4.550 30 10 CJEE C(CCCC1CC1)CCN=C1N[C@H]2CCCC[C@H]2CS1 2234188309 CWSFIINASGNABL-HOTGVXAUSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCNc1ccnc(COC)c1 2234631244 YRUBOBQWWSLZQD-UHFFFAOYSA-N 278.440 4.781 30 10 CJEE CCCN[C@](C)(C#N)CCCCSCCCCC1CC1 2235464483 OMAOHWIYRJOVJS-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@H]1CCCOC1 2235538336 HTOWZQRWGGAQGC-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE CCCCCCCCN1CC[C@]2(CCOC(C)(C)C2)C1 2237034107 WPHXRYZRVOAZSC-GOSISDBHSA-N 281.484 4.628 30 10 CJEE C[C@@H]1CC[C@@H](NCCC#CC(C)(C)C)c2ccccc21 2239109425 AGVUKXQGQBWSIT-CRAIPNDOSA-N 269.432 4.654 30 10 CJEE CCCCCCCCCO[C@@H]1[C@H](O)C[C@@H]2CCCC[C@H]21 2239547401 VUELKVUFJRXWGD-MLHJIOFPSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1CC[C@H]1CN 2239557007 PKLLYFWXPPLYCY-ROUUACIJSA-N 283.500 4.909 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2240203486 PVGRHLJQXHFRJB-MRHSLFKSSA-N 275.480 4.783 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)c1c(C)cnn1C 2240643782 BRNDGFLBSOSRSZ-HZPDHXFCSA-N 279.472 4.518 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 2240644814 NGTBTSCZDVPNPM-XSLAGTTESA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CC[C@@](C)(CO1)C2 2240653259 DYWDDNRKLWPLEN-KSZLIROESA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@](C)(Nc1ccccc1)C(=O)O 2240656630 HKSWTDWPENWQBC-KRWDZBQOSA-N 277.408 4.692 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cc(C)cc(C)n1 2240657490 MAQPJFQKAAUAEI-MRXNPFEDSA-N 276.468 4.927 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(Br)c(C)c1 2250140865 VHUOSNNCCIHRIE-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE CC1(CS[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CC1 2255194923 USKVSIRXXATRFH-BFHYXJOUSA-N 265.466 4.874 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)nc(Cl)c1 2258721169 MXWVEXVHMQEKDJ-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE C=CCCSc1c(CNC2CCC2)sc(C)c1C 2258992763 OLDCWDIPLWSOLP-UHFFFAOYSA-N 281.490 4.675 30 10 CJEE C=C1CC([C@@H](CC2CC3(CCCC3)C2)NCCC)C1 2265274986 KSBOKUNUPATSHN-QGZVFWFLSA-N 261.453 4.681 30 10 CJEE CCC[C@@H]1CC[C@H](N)[C@@H](CC=CC#CC(C)(C)C)C1 2268743427 RMYPYSFSCBQRHG-IKGGRYGDSA-N 261.453 4.526 30 10 CJEE Cc1ccc(Cl)c([C@H](N)CC=CC#CC(C)(C)C)c1 2268749622 CGOXTGLQFXLAEA-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE C=CCCCS[C@@H]1CCCC2(CCC2)[C@@H]1NCCC 2271484586 FGQGFAAGFOBNOO-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1CCCc2ccccc21 2271771189 ZWNPTBNYUJZZBH-ROUUACIJSA-N 258.405 4.604 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CSc2ccccc21 2271784111 BYDOBRFVNAPUDZ-HZPDHXFCSA-N 275.461 4.600 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCC[C@@]2(C1)CC2(F)F 2271799251 SMZDJMHLVLKCFU-HUUCEWRRSA-N 271.395 4.538 30 10 CJEE C=C1CC(CNCCC)(CC2CC3(CC(C)C3)C2)C1 2272198290 NADHFIUUZRPOBR-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@@]12CCCC[C@@H]1CC2 2273379635 LTSQFDRULTUVLO-CJNGLKHVSA-N 274.795 4.594 30 10 CJEE CCC[C@@H]1CCC[C@@](N)(C#CC2CCCCC2)CC1 2274002831 UDVCKDAKUDUIGL-AEFFLSMTSA-N 261.453 4.648 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(O)C#CC2CCCCC2)C1 2274061333 HICTVMVPNSSKOP-AEFFLSMTSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)C1CC1)OCCN 2276256130 ODRKYDRYMWUPBJ-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](CCC1CCC1)OCCN 2277041709 KAHLNIXJKQIMEH-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CSc1ccccc1CN(C)CCCCCCCS 2277505311 GOYRSWQHYQKEGK-UHFFFAOYSA-N 297.533 4.721 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1cscc1C(F)F 2277784744 XHUOCMLFLBESSG-UHFFFAOYSA-N 296.725 4.574 30 10 CJEE CCCCCCCCC[C@@]1(C)NC2(CCCC2)CO1 2278128418 XZHBHEMKFHGUBN-INIZCTEOSA-N 267.457 4.776 30 10 CJEE CCCCCCCCC[C@@]1(C)CCC[C@H](CNC)O1 2278170529 CHNPAIXAXCVNIP-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1cc(N[C@H]2CCCCCC2(F)F)cc(C)c1C#N 2280556164 XGIYIUYSDKEBKN-HNNXBMFYSA-N 278.346 4.555 30 10 CJEE Cc1cc(F)c([C@H](C#N)Nc2ccccc2Cl)c(F)c1 2283532197 MMPXNSWLLRRVEB-AWEZNQCLSA-N 292.716 4.603 30 10 CJEE C=CCCC[C@@H](C)N[C@H](CCC)c1ccc(OC)cc1 2283586975 NZBURQZDZLRONT-CRAIPNDOSA-N 275.436 4.871 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)c1c(C)sc(C)c1C 2283721731 STAZJQIODUXUGB-DOTOQJQBSA-N 297.508 4.655 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@]1(C)C=CCC1 2284158518 KPNGVEQUHMNMNO-IEBWSBKVSA-N 273.464 4.707 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C[C@H]1CCCCC12CC2 2284171301 UITJGKYIPLIBFB-SJORKVTESA-N 273.464 4.670 30 10 CJEE CN(CC=CC#CC(C)(C)C)Cc1cc(C(F)F)cs1 2284183548 TVSXYAUABWIKSD-UHFFFAOYSA-N 297.414 4.723 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)C[C@@]1(C)COC 2284713596 VBSRJDYKFIRJQE-ROUUACIJSA-N 283.500 4.778 30 10 CJEE C=CCCCSC[C@H](NC)c1cccc2ccccc12 2287079234 SZZAWFVRNFWGOH-SFHVURJKSA-N 285.456 4.800 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(OC(C)C)c1 2287408720 LTMDJXVTDHFLLY-SFHVURJKSA-N 275.436 4.871 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2287470009 MDQDYLOFCOFEKE-VGWMRTNUSA-N 285.422 4.782 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1cccc2ccsc12 2289781341 ADSWFVHAGOISGN-KRWDZBQOSA-N 283.440 4.746 30 10 CJEE CN[C@H](C#CC1CCCCC1)C1CC(CC(C)(C)C)C1 2289967901 GMMTXAMFTGGTKL-DAWZGUTISA-N 275.480 4.621 30 10 CJEE CCCCC#CCC(=O)Cc1cccc(C(C)(C)C)c1 2290207945 YVMLXNDHVPSLFX-UHFFFAOYSA-N 270.416 4.679 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)C(C)(C)C 2290603360 HCLFTHDCFVTBRI-HUUCEWRRSA-N 286.456 4.889 30 10 CJEE C=C(C)C[C@]1(OCCC(=O)O)CCC[C@H](CCC)CC1 2291148900 PQOXSWATHZRUSY-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CCCCCCC)OCC(=O)O 2292340823 UQOKNXLLVOLMCJ-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@](C)(OCCCN)C1(F)CC1 2292645945 HUIFPDUNESRIJI-INIZCTEOSA-N 285.447 4.529 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCC(C)(C)C[C@@H]1C 2292793383 ZYBFVGYMQDPRFQ-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)OCCN 2292864472 VFPYJHDLYJKNFY-ZACQAIPSSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@@H](CC[C@H](C)C(F)F)OCCCN 2293122516 XAIQFSHTZYDUBV-GJZGRUSLSA-N 293.442 4.762 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1[C@@H](C)[C@H]1C)OCCCN 2293177112 ISJGODFMGOMYGI-XWTMOSNGSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C1CCC1 2293373358 LDLYXUZHLFEOPF-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE C=C(C)CC[C@@](C)(OCCCN)C1CCC(CC)CC1 2294064514 AKWWWAAHOUBYEI-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1C[C@H]2C[C@@H]2C1 2294324944 PHFUEBZWSBSECC-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CC1(C)C)OCCN 2294396432 IAVUPLRRYCOALW-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1=CC[C@H](C)CC1 2294429156 ZRMOXUIHKJURIY-FUHWJXTLSA-N 281.484 4.827 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@@H](C#N)Nc1ccccc1 2295253822 HIVRFEPGCLOHDT-LLVKDONJSA-N 296.317 4.752 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](C)C[C@@H]1CN 2295534486 RNCHYMXJFUKZSK-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H]1C[C@@H](CC)CCN1 2295603609 NTUDKDYWHZOJCR-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC(C)(OC)OC 2295689310 OUHRVNOBFJUHGB-MRXNPFEDSA-N 287.488 4.504 30 10 CJEE CCCC[C@H](CC)C[S@@](=O)C[C@H](C#N)C1CCCCC1 2295709342 BDSAYOFBYJUZLT-RIFZZMRRSA-N 297.508 4.672 30 10 CJEE CCCCC#CC[C@](O)(c1ccccc1)C1CCCC1 2295729391 VDUKQDORTLYEJD-IBGZPJMESA-N 270.416 4.648 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccc(Cl)c(F)c1 2300102540 UPIBKEGRNHERBY-PWSUYJOCSA-N 253.748 4.768 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(Cl)s1 2301067289 YKVSFBHKYIITOP-AWEZNQCLSA-N 269.841 4.821 30 10 CJEE CSc1cc(SCCCC2CC2)ccc1C#N 2308069218 XONQZSXVCWTDEY-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE C=C([C@@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C)C(C)(C)C 2308344587 PEHLAEOEGBOKHL-SUYBPPKGSA-N 251.458 4.639 30 10 CJEE N#C[C@@]1(C[C@@]23CCCC[C@@H]2C3)CCCC(F)(F)C1 2311159388 LPOAMKCSFUISNH-MCIONIFRSA-N 253.336 4.676 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313162056 METQABJBXZXELA-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@@H](N)c1c(F)ccc(C)c1Cl 2313998828 VGUAZNKGHWVSEP-CYBMUJFWSA-N 269.791 4.924 30 10 CJEE C=CCCCCCC[C@H](N)[C@H]1CC[C@H]1C(C)(C)C 2320194240 HECHCQHOOXLHPP-XHSDSOJGSA-N 251.458 4.913 30 10 CJEE C=CC[C@@H](C)[C@@H](CC(C)(C)CC(F)(F)F)NCC 2321107487 GUGAWOAOUWCOGM-VXGBXAGGSA-N 265.363 4.545 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@@H](C)C[C@H](C)C1)NC 2321148058 MMQTWXVSOGHRCC-DZKIICNBSA-N 251.458 4.639 30 10 CJEE C=CCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2332722332 MTUZKGOBVVIWBI-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1CCC[C@@H]2C[C@H]12 2333326939 HNISZDRPQZJPOD-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CCCCC[C@@H]1C(C)C 2337068867 HSIRQJSEBJHKJW-BSDSXHPESA-N 263.469 4.926 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)c(F)cc1C=O 2337278134 CHFRIXZGKBXUHN-GFCCVEGCSA-N 284.758 4.805 30 10 CJEE CCCCCCCCC[C@H](C#CC1CC1)NCCC 2337437914 DJMAEDJPCHQJPU-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCS[C@@H](C)C1 2338729265 DRDIWZKKQPUUAT-UAGQMJEPSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C)C(F)(F)F)NCCC 2338731838 DKDCAXSWTTZMIU-TZMCWYRMSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@]1(C)CC[C@H](C)C1(C)C 2338732682 LASUCDMQVZFZDV-ZVZYQTTQSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CC[C@H]2C[C@H]12)NCCC 2338737568 FNEPTXNRHJXYCH-XSLAGTTESA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCSC1(C)C 2338747630 RVDMVWCKGMJYNE-HZPDHXFCSA-N 281.509 4.655 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1cc(OC)c(Cl)s1 2340271934 FDOZVWBVVOGBBZ-NSHDSACASA-N 299.867 4.500 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC(C)(C)[C@H]1C 2340689783 FAQPTAIFGSJNCL-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1ccc(C2CCCC2)cc1 2341890622 ABHMSNFWCUREGZ-MSOLQXFVSA-N 255.405 4.571 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccccc1C(C)C)NCC 2344339221 HLLXJMMDEVENBK-CRAIPNDOSA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc2sncc2c1 2344371481 KNPKFWPNZSMFQF-HOTGVXAUSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C(F)(F)F)cc1 2344394930 GZTYQVWOFLUGHX-CQSZACIVSA-N 270.294 4.881 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)C1 2352313490 HDAFAIJAYFISHE-HWMZRRJGSA-N 285.541 4.725 30 10 CJEE CC(C)c1cccc(NCC(C)(C)CCC#N)c1F 2352966679 DTUIURSGDXMSNF-UHFFFAOYSA-N 262.372 4.691 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)[C@@H]1C[C@H]1CC(C)C 2354024709 NKKDJLAOSKLDOL-QRVBRYPASA-N 275.480 4.621 30 10 CJEE CCCCCCCO[C@H]1[C@@H](NCCC)C[C@@H]2CCC[C@@H]21 2354732069 RQIMJLXWEOPMIK-XLAORIBOSA-N 281.484 4.530 30 10 CJEE CCCCCCC[C@@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354887735 FBEGNACKMJEBGJ-WNRNVDISSA-N 280.500 4.785 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H]1C[C@@H]2C[C@@H]2CO1 2355823927 OYCCFTNLNXGQBI-BSDSXHPESA-N 281.484 4.530 30 10 CJEE COc1ccc(/C=C2\C(=O)[C@](C)(C(C)C)CC[C@@H]2C)cc1 33154759 KTSURIDWSSTAAA-JVLAZRQJSA-N 286.415 4.740 30 10 CJEE C#Cc1cccc(N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 36719774 FDECSADLWYHCJI-JCGIZDLHSA-N 255.405 4.541 30 10 CJEE N#CCCCOc1cccc(NC2CCCCCCC2)c1 37777381 IEJKEQAFRQQOIR-UHFFFAOYSA-N 286.419 4.894 30 10 CJEE N#C[C@H](C(=O)c1csc2ccccc12)c1ccc(F)cc1 42891343 DMRDSRIDRKFFRK-AWEZNQCLSA-N 295.338 4.530 30 10 CJEE C=CC[C@H](NCCC)C(c1ccccc1)c1ccccc1 48765000 ZACYVJBPRMDCKB-IBGZPJMESA-N 279.427 4.763 30 10 CJEE N#C[C@@H](C(=O)c1ccsc1)c1ccc(Cl)c(Cl)c1 50039268 FLCLYLYUIXYAFM-SNVBAGLBSA-N 296.178 4.545 30 10 CJEE C=C[C@@H](C)Oc1c([C@@H](C)NC2CC2)ccc2ccccc12 52141587 IZHPKZNMDDRGAO-ZIAGYGMSSA-N 281.399 4.606 30 10 CJEE Cc1ccc(C)c(OCC[C@H](C#N)c2cccc(F)c2)c1C 57688912 GGGFDNPUXLHEHN-QGZVFWFLSA-N 297.373 4.827 30 10 CJEE Cc1ccccc1C[C@@H](C#N)c1cccc2ccccc12 57741510 BMMOLOGYGBMTJH-SFHVURJKSA-N 271.363 4.998 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC[C@H]2CCCC[C@@H]21 59389839 MZSTTWGOWLTRCD-CEXWTWQISA-N 294.527 4.719 30 10 CJEE CCCCCCCCO[C@@H](C)C(=O)c1ccc(C)cc1 59526385 KHLFHWXYXGZUHX-INIZCTEOSA-N 276.420 4.943 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1ccccc1 62791174 IJWRLEDZKDKHKN-OAHLLOKOSA-N 270.763 4.775 30 10 CJEE CCCCCC[C@@H](C)Oc1cc(C#N)c2ccccc2n1 68796598 IJBOYYHRBNOOEJ-CQSZACIVSA-N 282.387 4.844 30 10 CJEE Cc1nc(-c2ccc(C(C)C)cc2)ccc1CS 82481161 YWXOJFDUQBKEEG-UHFFFAOYSA-N 257.402 4.610 30 10 CJEE CC[C@H](C)SC1(C#N)CC2(CCCCCC2)C1 87127857 RCNPGYWRVZHZND-ZDUSSCGKSA-N 251.439 4.915 30 10 CJEE CC1(C)CCC(C#N)(CCCOc2ccccc2)CC1 87940061 HDAGSOOHWIIRGE-UHFFFAOYSA-N 271.404 4.956 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(Cl)s2)CC1 91883360 QZOYXAKIIBUIFE-XGTXGMFGSA-N 297.851 4.935 30 10 CJEE CCCC(CS)(CCC)COc1cccc(OC)c1 94582700 WMBCLTSHORTYBN-UHFFFAOYSA-N 282.449 4.590 30 10 CJEE CCCCCCCn1c([C@H](N)CC)nc2cc(C)ccc21 105501747 OKKHJFOJWSVXRK-OAHLLOKOSA-N 287.451 4.725 30 10 CJEE C=CC[C@@H](CC)c1ccc(C)c(Br)c1 107497149 RFGQFLDKDFVCLE-LLVKDONJSA-N 253.183 4.827 30 10 CJEE CCOc1cc(Cl)c([C@H](C)CCC#N)cc1OCC 107678383 VWCPHZRHQISSDC-LLVKDONJSA-N 281.783 4.545 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cnccn1 107680762 NXNZLQOUIBWQLR-KRWDZBQOSA-N 278.440 4.821 30 10 CJEE CCCCCCC[C@H](O)c1ccc(OC)cc1Cl 109790469 XCPPXVRZPSFMRB-HNNXBMFYSA-N 270.800 4.743 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CC=CCC1 109900947 KTBRLTHHKRDDMR-CQSZACIVSA-N 259.418 4.733 30 10 CJEE CCCCCCCCCCSc1ncccc1N 109966756 OHZSRXNOWXKVMS-UHFFFAOYSA-N 266.454 4.897 30 10 CJEE CCCCCCCO[C@@H]1CCc2ccccc2[C@@H]1NCC 110081414 QYSAHERVLGEAIN-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CC1(C)Cc2cccc(Oc3cc(Cl)ccc3C#N)c2O1 110260668 RBDBNIFQLBCWIB-UHFFFAOYSA-N 299.757 4.717 30 10 CJEE CCc1ccc(Oc2cc(Cl)ccc2C#N)cc1 110260696 AOSGPTMCEINASQ-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1CNCCC 111610472 YAFXYATULJSMIH-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccc(F)cc1 112885523 LZCAZVRQCNSHCP-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE CCCCCCCCN1CCCNc2ccccc21 115196910 JZPCPQJCBGHSHK-UHFFFAOYSA-N 260.425 4.669 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(OC)c(F)c1 115856537 LJCJZPIHOUUVQI-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](NC)C12CCCCC2 117341618 RIPFXVGORXTLIK-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](C)c1ccccn1 117686810 UFLAIPPNTYQPSR-DLBZAZTESA-N 276.468 4.914 30 10 CJEE CCCCCCCC[C@@H](O)C(CC)(CC)N1CCCC1 118171076 QIFWXUXLUUDIKL-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@@H](NN)C1(CC)CCCC1 122403706 LDVCURSMPQAZLF-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CC(C)CCC[C@H](C)n1c(S)nc2ccc(C#N)cc21 124995679 AOZWJJAKENHZKW-LBPRGKRZSA-N 287.432 4.584 30 10 CJEE CCCCCCCCOCC[C@@H]1CCC[C@H]1NCCC 126489496 HHSPRIFWSGSBMP-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H](O)C1(C)C 128530344 PAMHBTRKNDCYPP-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CCCCCCCCOc1c(N)cnc2ccccc12 130305360 HBEUHSUUBCZPPL-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CCCCCCCCCCn1cc2c(c1)[C@@H](N)CCC2 135501072 BBALWUFNENBKKT-SFHVURJKSA-N 276.468 4.965 30 10 CJEE CCCCCCCOc1cccc(SCC)c1C(=O)O 137184884 NFJJTJBEULIWCK-UHFFFAOYSA-N 296.432 4.846 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(Br)cn1 140167026 CXGNBDMGYDNJPA-CYBMUJFWSA-N 299.256 4.595 30 10 CJEE N#CCCCc1sc2ccccc2c1Br 140991724 HJECLSIMTSHKJI-UHFFFAOYSA-N 280.190 4.510 30 10 CJEE CCCCCCCCNc1c(F)cccc1[N+](=O)[O-] 156437494 CZTGUMZYYCFMPV-UHFFFAOYSA-N 268.332 4.506 30 10 CJEE CCCCCCCCOc1ccnc(NCCC)c1 156877852 FERAYHNJQQCJSN-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCC(=O)[C@H](OCC)C1CCCCC1 158349812 NEYQLASRPPEOMA-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(F)c1F 159043977 URBHBMVTOCIHNP-AWEZNQCLSA-N 255.352 4.715 30 10 CJEE CCCCCCCCNc1ccc2cc(N)ccc2n1 159129898 XUKOQCRCAIXPKY-UHFFFAOYSA-N 271.408 4.589 30 10 CJEE CCCC[C@H](CC)COCc1ccc(C#N)cc1C 165550254 JKTDJUSUSRJBAR-HNNXBMFYSA-N 259.393 4.600 30 10 CJEE CC1CCC(c2nc3cc(C#N)ccc3n2C2CC2)CC1 168450596 SWSIHOJYNPICDK-UHFFFAOYSA-N 279.387 4.537 30 10 CJEE Cc1ccc(/C=C2\CC/C(=C\c3ccccc3)C2=O)cc1 205859360 FOMNEPNRMHXLIY-JIBZRZDWSA-N 274.363 4.825 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(Cl)c1C 220504422 CNRKWVQPTCQOLL-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cn(C)nc1C 227453997 MHXACQOZMUCOKF-QGZVFWFLSA-N 279.472 4.520 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1ccn(C)n1 232012767 MCMIQZVFAHBZEQ-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE C=CCCCCCOc1cccc(CNC(C)(C)C)c1 232505099 UNLVTYOMRUTHRZ-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](O)C(C)C 232914099 VRBNVNRVMJOSON-IRXDYDNUSA-N 272.473 4.675 30 10 CJEE CCCCCCC[C@H](C)NCCc1cccc(OC)c1 232946788 BVXAYHPVMUXMKF-INIZCTEOSA-N 277.452 4.576 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(F)cc1)NCCC 233163615 QBKRCJSQOYWDSK-GOSISDBHSA-N 277.427 4.873 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H](CC)c1ccccc1 234039482 PVEYCIRGOIVDDW-ROUUACIJSA-N 259.437 4.905 30 10 CJEE N#CCCCCn1ccc2c(Cl)cc(Cl)cc21 236060188 OFXUIPGFWWUCOS-UHFFFAOYSA-N 267.159 4.642 30 10 CJEE CCCCCCCCCN(CC)[C@@H]1CCCC[C@H]1CN 250819902 KXAOOFVRQKFAJC-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252414914 QSTTUQMLFHCECP-DSLXNQLJSA-N 284.447 4.583 30 10 CJEE Cc1cc2ccccc2c(N=Cc2cccs2)c1C#N 254826897 CJYWLNLQOPGFKD-UHFFFAOYSA-N 276.364 4.832 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(CN)CCC[C@H](C)C1 300523871 UJIOMIQKOREJKN-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE N#CCCc1csc(CSc2ccc(Cl)cc2)n1 306050509 PJUHEXRLRUNNQN-UHFFFAOYSA-N 294.832 4.545 30 10 CJEE Cc1c(Cl)ccc(N)c1Oc1ccc(C#N)cc1Cl 311986136 NPDFLZXNZIDSGG-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCCCCCCC[C@@H](O)C1(COC)CCCC1 312954637 PIZYJVIBSDBQRQ-MRXNPFEDSA-N 270.457 4.695 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 313372771 QBOHYGFIDLHNES-GFCCVEGCSA-N 295.785 4.728 30 10 CJEE Cc1cc(C)c(C[C@]2(C=O)CCCC[C@H]2C)c(C)c1 316690226 YTRSEVPQZBUXCW-AEFFLSMTSA-N 258.405 4.550 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2CSc3ccccc32)C1 316840551 RBIIHUHPMNHDCJ-KEYYUXOJSA-N 274.429 4.661 30 10 CJEE CCCCCCC[C@@]1(CNCC)CCc2ccccc21 317570011 FAQFYWLAXOCSEF-IBGZPJMESA-N 273.464 4.841 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2csc3ccccc23)C1 317690386 JHLXVNYAWAYZQO-GUYCJALGSA-N 272.413 4.839 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H]1CCOC2(CCCCC2)C1 384820549 FAZZJZIIFXNIAF-RYRKJORJSA-N 275.436 4.836 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1nc(C(C)(C)C)cs1 384877951 QBNYDTXCEGVTPD-WBMJQRKESA-N 276.449 4.703 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1csc(Cl)c1 385028822 PLRXAHQENZUXGZ-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE C=C(COC)[C@H](NCCC)C1CCC(CCCC)CC1 386435631 JMZQBNQIGVOTQD-ABHNRTSZSA-N 281.484 4.554 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](C#N)Nc2ccccc2C)C1 394544927 VZLKOGJOUIAQFG-BFYDXBDKSA-N 256.393 4.516 30 10 CJEE CC[C@H]1CCC[C@@](C#N)([C@@H](O)[C@H]2CCC[C@@H](CC)C2)C1 394612660 JQOBDLUIBKGBHJ-RSJGLCBASA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCN[C@H](CC)[C@@H](C)O 395300616 KBGZTSPQHULGCX-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CC(C)(C)[C@@H]1CCCC/C1=C\B1OC(C)(C)C(C)(C)O1 396650717 KAZNNZQMYUQKAN-XTZCOPOCSA-N 278.245 4.781 30 10 CJEE CC(C)[C@@H](C#N)CNc1ccc(Cl)c(C(F)(F)F)c1 397522929 WKCLBVVWIUYPFM-VIFPVBQESA-N 290.716 4.566 30 10 CJEE CC(C)[C@@]1(C)CS/C(=N/C2CC(C)(C)CC(C)(C)C2)N1 398536140 JCJKUBGLARUSQD-QGZVFWFLSA-N 296.524 4.698 30 10 CJEE N#CC1(CCc2c(F)cccc2F)CCCCCC1 402996931 NELNAAQOYVPEEN-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE N#CCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1F 514262632 QRHGEAITHUOQNZ-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC[C@@H](NCc1ccc(C2CC2)cc1)c1ccco1 552283764 JWIQISQZXUBBAA-GOSISDBHSA-N 281.399 4.954 30 10 CJEE C=CCC[C@@H](CCC)[C@@H](OC(=N)O)c1ccccc1 585665327 KVQBYLNYGNIXHV-UKRRQHHQSA-N 261.365 4.620 30 10 CJEE C#CCN(C(=O)CCCCCCCC)C1CCCCC1 688825708 XNVVVGVJNRZZLA-UHFFFAOYSA-N 277.452 4.532 30 10 CJEE CCC(F)(F)C(C)(C)COc1c(C)cc(C#N)cc1C 691069813 UAEAZBSWBHZCTO-UHFFFAOYSA-N 281.346 4.625 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC(C)(C)CC(F)(F)F)C1 694126995 KUEMUODOYZPGHV-DGCLKSJQSA-N 264.331 4.751 30 10 CJEE CCCCCCCCCC(=O)c1cccc(C(=O)O)c1 694134664 HFKVWDYBHFFKOC-UHFFFAOYSA-N 276.376 4.708 30 10 CJEE C=CCC(C)(C)COCc1csc(CNC(C)(C)C)c1 695010803 QGIZLDNNGRPIAR-UHFFFAOYSA-N 295.492 4.755 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C(C)(C)CN 695591527 BSTJXBHCWXSJIY-MRXNPFEDSA-N 271.489 4.643 30 10 CJEE C=C1C[C@H]2CC(NCCc3ccc(Cl)s3)C[C@@H](C1)C2 697303887 GNFOJVVFQFKMDW-PBWFPOADSA-N 295.879 4.669 30 10 CJEE CCCCCCCCC[C@@H](O)c1[nH]c(C)cc1C 706171767 VZUZREFSFHBKNL-OAHLLOKOSA-N 251.414 4.806 30 10 CJEE CCCCCCCCO[C@@H](C)[C@@H](N)c1ccccc1F 708927689 XVSFFWITKKWADZ-WMLDXEAASA-N 281.415 4.591 30 10 CJEE CC[C@H](CC(=O)Nc1ccc(C#N)cc1Cl)C(C)(C)C 711067482 IEWZJMKTHMMQSM-GFCCVEGCSA-N 292.810 4.613 30 10 CJEE 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10 CJEE C=CC[C@@H](C)Sc1sc(CNC(C)C)c(C)c1C 2313689613 QMIZUKXUYJRLEK-LLVKDONJSA-N 283.506 4.920 30 10 CJEE C=CC[C@@H](C)Sc1c([C@@H](C)NC)ccc(Cl)c1F 2313704464 LECAQDGXJVZXPE-NXEZZACHSA-N 287.831 4.816 30 10 CJEE C=C(Cl)CONC1CCC2(CCCCCC2)CC1 2313806368 BUHIRKGQUUODDN-UHFFFAOYSA-N 271.832 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC[C@@H]1CC1(C)C)NC 2321117070 MQMJGPDFXGNMJC-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cscc1C(F)(F)F 2321223970 IZCDCGNKNJNEBM-RYUDHWBXSA-N 278.339 4.793 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CCC1(C(F)(F)F)CC1 2321555694 SLZPOFSKHOMXSQ-GFCCVEGCSA-N 262.315 4.671 30 10 CJEE C=CC[C@H]1CCN(Cc2cc(F)c(Cl)cc2Cl)C1 2325177504 FWSIDJRNWGQJSZ-JTQLQIEISA-N 288.193 4.531 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]1(Cl)CC12CCC2 2326819045 DOILVXYXIBPFCV-HOCLYGCPSA-N 271.876 4.877 30 10 CJEE C=CC[C@H](C(=O)O)[C@H](C)c1ccc(Cl)c(C)c1Cl 2327984616 QQTAOORGWDEJKZ-KCJUWKMLSA-N 287.186 4.682 30 10 CJEE C#CCCCCCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329820414 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CCCCCCCCN[C@@H](C)Cc1ccsc1 109930310 ZQNDCJIGHPYQOA-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE CCCCCCCCO[C@@H](c1ccc(C)cc1)[C@H](C)N 109988838 PZHZMFOJBQYCRD-FUHWJXTLSA-N 277.452 4.760 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(Cl)c(F)c1 110255652 KYUIWMYRHBZETB-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCC[C@H](Nc1cccc(C)c1)C(=O)OCC 110319499 SHCGURPDWPEJLS-KRWDZBQOSA-N 291.435 4.699 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@H](C(C)C)CCC1=O 110325813 JHLKLURZISQLKD-HUUCEWRRSA-N 266.425 4.557 30 10 CJEE CCCCCCCOc1ccc([N+](=O)[O-])c(Cl)c1 125328194 LLDGPUMLCKLMEM-UHFFFAOYSA-N 271.744 4.597 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1cccnc1 125421488 HHYCTVFSXWUDGL-SFHVURJKSA-N 291.483 4.897 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cc(C)nn1C 140402461 RRXZXYMBRSZSEQ-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1snnc1CC 143415841 JOULRSHVALAAMD-OAHLLOKOSA-N 297.512 4.892 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 156093535 YBEBEJUJHRELHT-HRCADAONSA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 156177162 DZSBGITVNQMZSY-BBWFWOEESA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@]1(C)CC(=O)c2cc(F)ccc2O1 164846739 QJALPVNVPCGPKJ-QGZVFWFLSA-N 278.367 4.910 30 10 CJEE C#CC[C@@H](CCCCCCCCCCC)NCC 166533254 PCXMAUJKQTWXLR-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCCSC 189871629 POBROZHUAMCCRB-UHFFFAOYSA-N 291.460 4.620 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]3CCC[C@H]32)C1 228012571 LKDUSTZQYSXJDA-YYWYGQEZSA-N 288.479 4.605 30 10 CJEE C=C(CNCCC)COc1cc(C(C)C)c(Cl)cc1C 231526237 LLSMZDBINGFZQF-UHFFFAOYSA-N 295.854 4.706 30 10 CJEE CC1CCC(CCNCCCCC(C)(C)C#N)CC1 232802160 KHQBLXGIMZKUPA-UHFFFAOYSA-N 264.457 4.512 30 10 CJEE CCCCCCCCCc1nc2n(c1N)CCC[C@H]2C 232962927 VNILULVERCAWRU-CQSZACIVSA-N 277.456 4.656 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)CC1CCC1 232963445 LCCOEMKUSNPDAA-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCOc1cccc(C(=O)C2=CCCCCCC2)c1 233815734 AMPPPAKDKTVFBA-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(C)c(Br)c1 235801963 NELKRHPMMQUGTR-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE C=CCCCCC[C@H](N)c1cc(C)nc2ccccc12 235838484 MIWNLHHONJRMDG-KRWDZBQOSA-N 268.404 4.680 30 10 CJEE O=C(C1=CCCCCC1)C1(c2ccccc2)CCC1 236393356 QLDJXXLRKXTVDX-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@H](C)c1cccc(Cl)c1Cl 251801388 YFJOZLCNHSLFJC-KPXOXKRLSA-N 259.176 4.664 30 10 CJEE C[C@@H](C#N)Cc1cc2cccc(C(F)(F)F)c2s1 260042460 CBFSLGUGKNNZFB-MRVPVSSYSA-N 269.291 4.622 30 10 CJEE CC(C)(C#N)c1csc2c(C(F)(F)F)cccc12 260153578 GWHOIUQNZPOBLK-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(C)c(Cl)c2)C1 300257934 QTHYRYZTBMBBGQ-XYPHTWIQSA-N 291.822 4.792 30 10 CJEE CCCCCCC[C@H](NCC)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300672323 ZFTGHOWTOWKWQU-WOYTXXSLSA-N 263.469 4.617 30 10 CJEE N#CCc1cc(-c2ccc(Cl)cc2Cl)cs1 309356363 IKWZPCPURFHDHF-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE CCCCCCCCn1ccc(CNCCC)c1C 311329427 GCVBANXWHPAOPQ-UHFFFAOYSA-N 264.457 4.657 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@@H](C)CC(C)(C)C 311348828 UKTBPPQMYNUHEV-HZPDHXFCSA-N 265.485 4.867 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccsn1 311658082 FKRYDDMOKUVYCU-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cn[nH]c1 311679418 IZLHMXLRKKHPTB-INIZCTEOSA-N 265.445 4.591 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2)C1 317341721 ROUZFLHBDGHXFZ-BBRMVZONSA-N 264.796 4.668 30 10 CJEE CCCC1CCC(C=O)(Cc2cccc(F)c2)CC1 317892706 OWLFVRCVXBYVMC-UHFFFAOYSA-N 262.368 4.544 30 10 CJEE CCNC[C@@H]1CC[C@@H](C(C)C)C[C@@H]1CC#CC(C)(C)C 379871622 DTUMTQBUBXIJDW-SQNIBIBYSA-N 277.496 4.724 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CCOc3ccccc32)CC1 379991226 MLNJRVWWIMFCCU-CSLYMUCUSA-N 269.388 4.663 30 10 CJEE C=CCS[C@H]1CCCCCCCCCC[C@@H]1NC 382129545 IOZXFVHYVUPIDW-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE CCC1(/N=C2/N[C@]3(CCC[C@@H](C)C3)CS2)CCCCC1 389720875 HPGLEPSKKXROPD-PBHICJAKSA-N 294.508 4.741 30 10 CJEE N#CCc1ccc(NCCCC2CCCCC2)cc1 395146412 FTYHOAPGOJTXQF-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@]1(C=O)CCCC[C@H]1C 402442466 NZNXOWMKOVWEDY-AGIUHOORSA-N 264.331 4.751 30 10 CJEE CC[C@H](OCC(CC)(CC)CS)c1ccccc1 403311850 YAHBDNGMXJUFEZ-HNNXBMFYSA-N 266.450 4.891 30 10 CJEE N#Cc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 514260219 NCMZEHZCUJOMMU-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE CCCCCCC[C@H](NCC)C1CCC(OC)CC1 686368349 MWMPGUTXFZMCAM-JCYILVPMSA-N 269.473 4.530 30 10 CJEE C#CCCCCCCC[C@H](NCCC)C(C)(C)C 686691552 MOEIKENQDVSINA-INIZCTEOSA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@H](CCCc1cccs1)NCC 686702054 YQXNOIXXBMSERC-MRXNPFEDSA-N 277.477 4.633 30 10 CJEE SCC1(CN2CCC[C@H]2C2CCCCC2)CCCCC1 688813762 MVVCVTVXWSSNPA-KRWDZBQOSA-N 295.536 4.911 30 10 CJEE CCCCCCCCC[C@@H](CCCC1CCC1)NN 688869388 XKCRQWQZFJXOMP-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nsc2ccccc12 692226133 CIQXGYUCMIVGAP-TZMCWYRMSA-N 272.417 4.843 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)[C@H](C)c1ccccc1Cl 695840615 DBUSYFPFUQDEJE-CHWSQXEVSA-N 278.827 4.661 30 10 CJEE C=C1C[C@H]2CC(NC[C@H]3CCCC4(CC4)C3)C[C@@H](C1)C2 697315033 IWIGLVJQBVZTKF-XNHLSEOASA-N 273.464 4.681 30 10 CJEE CSc1cccc(N(C)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 697672153 YRGSNQJYZCEXQR-WDNDVIMCSA-N 288.460 4.541 30 10 CJEE CCC(F)(F)C(C)(C)CC1(C=O)CCCCCC1 700833351 GOJYBBHLEFFYEH-UHFFFAOYSA-N 260.368 4.988 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cccc(Cl)c1 704021445 GOKNLDSWGMLPTL-ZDUSSCGKSA-N 265.828 4.983 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C[C@H]1CCOC1 707622736 TXDAMHTVSBHVBS-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 709103183 BNMCHHCMZBPXNC-SMDDNHRTSA-N 277.795 4.589 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(Cl)s1 710664233 OSENQKCINOMGDP-VIFPVBQESA-N 264.221 4.585 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)[C@H]1CCCCO1 711873363 NWQDAQKVBGIJRV-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCC3(CCC3)O2)CC1 712507190 BBQLRJZLLLXGBF-CGZBRXJRSA-N 278.436 4.654 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 715813183 JTVBVVRMKBFFTF-FQUUOJAGSA-N 277.374 4.545 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CC[C@@H](O)c2ccccc2)C1 721307777 RSGZLZZYRGBRRZ-KBAYOESNSA-N 271.404 4.610 30 10 CJEE CCCCCCCC[C@@]1(O)CCO[C@H](C(C)(C)C)C1 721569681 PSVNAZMGFGNPSU-DOTOQJQBSA-N 270.457 4.693 30 10 CJEE C[C@H]1CC(C#N)(Cc2c(Cl)cccc2Cl)C[C@H](C)O1 724287399 KVPBTFYKZDCKAM-QWRGUYRKSA-N 298.213 4.633 30 10 CJEE C=CC1(CC(=O)NC(C)(C)CC(C)(C)C)CCCCC1 1124770429 HRKQSOFMJXECIQ-UHFFFAOYSA-N 279.468 4.844 30 10 CJEE C=CC1(CC(=O)Oc2c(F)cccc2Cl)CCCCC1 1127326380 NSTHSOYKXCPNGM-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2cc(F)ccc2C)CCCC1 1127738385 CHTHQSBALUEAEH-CQSZACIVSA-N 290.378 4.875 30 10 CJEE C=CCC(C)(C)C(=O)OCc1csc2ccccc12 1129401228 CBAGEEAKDFNYJQ-UHFFFAOYSA-N 274.385 4.547 30 10 CJEE C=CC[C@@H]1N(Cc2cccc(OCC)c2)CCCC1(C)C 1181297219 PIEJCKHUVHCERS-SFHVURJKSA-N 287.447 4.652 30 10 CJEE C=C(Cl)CN1CC[C@@H](c2cccc(Cl)c2)C1(C)C 1197483249 PPCFTEWPFIIQJT-AWEZNQCLSA-N 284.230 4.660 30 10 CJEE C=CCC[C@H](NC(=O)[C@H](C)C1CCCC1)c1ccccc1 1266420388 BZIBOAIAZCDPLE-QAPCUYQASA-N 285.431 4.636 30 10 CJEE C=CCOc1ccc(OC(=O)CCCCCC(C)C)cc1 1354393029 ZXZAAJWWMGCBLE-UHFFFAOYSA-N 290.403 4.763 30 10 CJEE C=C(C)CCC(=O)N(CCc1ccccc1)c1ccccc1 1357464918 WABGYOMKKWHBQD-UHFFFAOYSA-N 293.410 4.619 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1SCC 1359999197 OIVPSZPMVHJTRO-NSHDSACASA-N 297.851 4.993 30 10 CJEE C=CCCCCCN(CC)[C@H](C)c1cccc(O)c1 1459563338 GZAHKYHYENMHRJ-OAHLLOKOSA-N 261.409 4.522 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@H]1CCC[C@@H](C)C1 1460408249 INOJFLOMEIGCAW-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=CCCCCN1CC[C@H]1c1ccc(Br)cc1 1460505253 IHEUAZIXHSIXTA-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C#CCC1(NC/C=C/c2ccc(Cl)cc2)CCCCC1 1460826031 AJGCSKWSOVYLSD-VOTSOKGWSA-N 287.834 4.669 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cc2ccccc2o1 1461570527 HRGWSZGZDYNFSX-SFHVURJKSA-N 291.394 4.710 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H](O)c1cccc2ccccc12 1462430894 VSAHISHPMWJCGC-YLJYHZDGSA-N 297.442 4.598 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1CC=CC[C@H]1C(F)(F)F 1462516680 FAJQAGOXFVAEDT-RRFJBIMHSA-N 289.385 4.856 30 10 CJEE C=C(CC)C(=O)N(CCC)[C@@H](C)c1cc2ccccc2o1 1464449593 HJMDWJPAYSIGGG-AWEZNQCLSA-N 285.387 4.699 30 10 CJEE C=CCC1(CNc2nc3cc(C)ccc3o2)CCCC1 1472782735 OPQIGDPUDYXDQF-UHFFFAOYSA-N 270.376 4.685 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2cc3ccccc3s2)C1 1474160089 WJGYHCGHDNEASQ-DZGCQCFKSA-N 271.429 4.736 30 10 CJEE C=CCCCN(CC)Cc1csc(C(F)(F)F)c1 1474739516 XLABUEIZPLLMNQ-UHFFFAOYSA-N 277.355 4.555 30 10 CJEE C=C(C)CCC(=O)N(CC(C)C)[C@H](CC)c1ccccc1 1520949767 ZOJCEFNNXWPZFQ-GOSISDBHSA-N 287.447 4.979 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CC1CCCC1 1521556978 SQZIGWMYSIICMJ-INIZCTEOSA-N 291.479 4.798 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(CSCC)c2)CC1 1523205068 ZVNJHXGIEIBEMF-UHFFFAOYSA-N 289.444 4.625 30 10 CJEE C=C(C)CCNC(=O)c1ccccc1Sc1ccccc1 1533719778 MXRNZEQPJQUZKJ-UHFFFAOYSA-N 297.423 4.534 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc2ccc(F)cc2s1 1536777596 IHBBCIVYBDGTST-LLVKDONJSA-N 291.391 4.515 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H](C)CCC(C)(C)C)C(C)C)c1 1537134038 HPZHXOKDVZJMBV-INIZCTEOSA-N 299.458 4.872 30 10 CJEE C=CCC[C@H]1CCCN1Cc1cccc(Cl)c1Cl 1560199856 GBXZOHBFJDUKKC-ZDUSSCGKSA-N 284.230 4.924 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cc(F)cc(OC(F)F)c2)C1 1560978472 PJNHPTVOJNQHKL-JQWIXIFHSA-N 285.309 4.584 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](C)CCC=C(C)C)c1ccccc1 1583141939 VGFSBEHLUPSFPU-FUHWJXTLSA-N 285.431 4.597 30 10 CJEE FC(F)(F)c1ccccc1C#Cc1cccc(Cl)c1 1614730724 JKSCQBYJUOIZHE-UHFFFAOYSA-N 280.676 4.759 30 10 CJEE Cc1cc(C#Cc2c(Cl)cccc2Cl)ccc1F 1614731216 QNOCSVIKTSLDAT-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE Fc1cccc(C#Cc2cc(Cl)ccc2Cl)c1 1614827098 KYMSOGVGIYFEAT-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(C(C)C)cc1 1627249664 QSKWTWOMGNBDQP-LJQANCHMSA-N 299.458 4.700 30 10 CJEE C#CCN(C[C@@H]1CCCCC1(C)C)[C@@H]1CCc2ccccc21 1641587777 GUISQVOXFPKLRX-AZUAARDMSA-N 295.470 4.826 30 10 CJEE C=CCN(CCc1ccccc1)CCC(C)(C)C1CC1 1644482876 QOLXSJDKUKVZFQ-UHFFFAOYSA-N 271.448 4.543 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccccc2OC(C)(C)C)C1 1647031267 SRKPZWJGDRWPCC-DOTOQJQBSA-N 287.447 4.698 30 10 CJEE C=CCCN1c2ccccc2CC[C@@H]1c1ccccc1 1648563194 DKWQXPLFDHJQIP-LJQANCHMSA-N 263.384 4.757 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(C)(C)c2ccccc2Cl)C1 1657068433 OXJOWXWGDPEIBQ-HUUCEWRRSA-N 291.866 4.952 30 10 CJEE C=CCCCCCN(C)CC[C@@H](C)c1ccccc1 1657448378 CWELPRPWXDNMCF-QGZVFWFLSA-N 259.437 4.858 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(C(F)(F)F)cc1 1658541215 BRHXFJBOOAMWEA-UHFFFAOYSA-N 285.353 4.787 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1c2ccccc2O[C@H]1C 1659363937 MPTVKYIVUFYRPP-MPGHIAIKSA-N 273.420 4.623 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCN1C1CCCCC1 1659673758 BGPPPEYWMIWICN-PKOBYXMFSA-N 292.511 4.508 30 10 CJEE C=CC[C@H]1CCCN(CCc2ccc(C(C)(C)C)cc2)C1 1660233657 DVVMALAJJWMDEV-SFHVURJKSA-N 285.475 4.815 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H](C)CCCCC 1664987234 JAGPSBIOXJGDSE-SJLPKXTDSA-N 259.437 4.732 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1c(C)cccc1C(C)C 1666869702 DYDUUZWLTHHNBK-UHFFFAOYSA-N 288.435 4.842 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC(C3CCCCC3)C2)c1 1673600693 QBBFNAHEZKRAHR-UHFFFAOYSA-N 298.430 4.764 30 10 CJEE C=CCN(CC=C)/N=N/c1cc(Cl)cc(Cl)c1 1860482669 MSQIJMNJIFRGSC-FOCLMDBBSA-N 270.163 4.666 30 10 CJEE CCC(C)(C)[C@@H](C)N(C)c1cc(Cl)c(F)cc1C#N 1878528042 RICCQHUCKRNOKG-SNVBAGLBSA-N 282.790 4.612 30 10 CJEE CC#CCCC[C@@H](NCCC)c1ccc(F)c(Cl)c1 1879651564 UKSDAQNMLTWMBY-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CCCCCCCOc1c(F)cc(C(C)=O)cc1F 1880871088 JIFZTYVKLPSEKJ-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE C=C1CC(C[C@H]2CCC(F)(F)CC[C@@H]2NCCC)C1 1881820247 XUMVXJGWDAKQSW-CABCVRRESA-N 271.395 4.536 30 10 CJEE CCCCCCCCCN1C[C@@H](C)C[C@@H](C)CC1=O 1883430055 QFIFGFOGSJVJGV-CVEARBPZSA-N 267.457 4.632 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1883432054 LBLOQEONFWUWMG-RSJGLCBASA-N 263.469 4.713 30 10 CJEE CC#CCCCC[C@@H](NC)c1cccc2ccsc12 1885230956 ZLNMRLOZGCVORG-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE 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CWVIASTXICOMBY-UHFFFAOYSA-N 296.414 4.928 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1)[Si](C)(C)C 2332700196 IRSCUJUCEUXKON-GVDBMIGSSA-N 279.544 4.615 30 10 CJEE C[C@H]1C[C@](C#N)(C[C@@H]2C[C@H]2c2ccccc2)CCS1 2332826080 VLGNSZAAYFKZGU-HJWJTTGWSA-N 271.429 4.606 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@]12CCC[C@@H]1CC2 2334760732 APBNITIYAQWQTP-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=CC[C@H](C)SC[C@@H](NC)c1ccc(C(C)C)cc1 2335103095 HCPOLNGVQAVNIP-WMLDXEAASA-N 277.477 4.768 30 10 CJEE C=CC[C@H](C)OC(=O)C1CCC(CCCCC)CC1 2335106733 CWIIJLRHSCJTLH-FHERZECASA-N 266.425 4.881 30 10 CJEE C=CCC(CC=C)Sc1cc(CNC2CC2)sc1C 2335240832 FHLSZYYZGBQFGQ-UHFFFAOYSA-N 293.501 4.921 30 10 CJEE CC(C)CC(CC(C)C)OCC1(C#N)CCCCC1 2335351106 CTZKUMKMJQGQQQ-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1CC(C)(C)CC2(CC2)C1 2337079563 TVQSPYNWZBQUPS-HRCADAONSA-N 261.453 4.680 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)[C@@H](CC)CC(C)C 2338247942 AYRALCJXIUDJSD-RDJZCZTQSA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H]1CCCCC12CC2)NC 2338746966 LVCDZKKLKCHFAJ-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE C#CCCCCCCNCCCCCCCC1CC1 2338863652 MNXPPAANJIULMO-UHFFFAOYSA-N 263.469 4.910 30 10 CJEE CC(C)(Cc1ccccc1)C[C@]1(C#N)CCCSC1 2339455336 KKWMUXYPZAWGQR-KRWDZBQOSA-N 273.445 4.682 30 10 CJEE C=CCCCCC[C@](C)(OCCCN)[C@H](C)C(C)C 2340208266 JSXBMWXPBIZJDE-SJORKVTESA-N 269.473 4.539 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)CCC1=CCCCC1 2340217481 RHMRXVHZRFTALG-QGZVFWFLSA-N 261.453 4.685 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1CC(C)(C)[C@H]1C 2342877089 UGUSUEAJCIMHNV-LSDHHAIUSA-N 285.541 4.869 30 10 CJEE C=CCCC[C@@H](Cc1cccc(C(C)C)c1)NCC 2343745696 LUIAINLVLZRENH-SFHVURJKSA-N 259.437 4.687 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCC(F)(F)C(F)(F)F)NCC 2344342211 IHLNMULIJDKAJD-GHMZBOCLSA-N 287.316 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC(=C2CC2)C1)NCCC 2344347723 DPCZGIXGCMBCDE-QGZVFWFLSA-N 261.453 4.847 30 10 CJEE C=C[C@H](Nc1cc(Cl)nc2ccccc12)C1CCC1 2344366182 UQMADMQVGVJOIV-ZDUSSCGKSA-N 272.779 4.655 30 10 CJEE C=CCC(CC=C)S[C@@]1(C(=O)O)CCCCC[C@H]1C 2352000974 JQQZUGKTNMJJSI-CJNGLKHVSA-N 282.449 4.664 30 10 CJEE C=CCCCS[C@](CC)(CC1CCCCC1)C(=O)O 2352028167 RVPOAIVUPTUYFC-MRXNPFEDSA-N 284.465 4.890 30 10 CJEE C=CC[C@H](C)S[C@@](C)(C(=O)O)[C@@H]1CCCC(C)(C)C1 2352033797 HNMHRMMWKSQTFW-WOSRLPQWSA-N 284.465 4.744 30 10 CJEE C[C@H](C[C@@H](C)N(C)C[C@](C)(CS)C(C)(C)C)C(F)F 2352069505 TVLWOUOBOPKLDY-LALPHHSUSA-N 295.483 4.580 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1ccc(C)cc1 2352081415 DBIOFXGYXCQZPG-KRWDZBQOSA-N 279.493 4.804 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@H]2CCCC[C@H]21 2352094533 FFZMLRANACLXKW-UXLLHSPISA-N 283.525 4.623 30 10 CJEE C=C1CC([C@@H](N)c2ccc(CCCCCC)cc2)C1 2353091255 MJALHEBBLBHNST-SFHVURJKSA-N 257.421 4.775 30 10 CJEE Cc1c(Cl)ccc([C@]2(C)CCC[C@@H](CC#N)O2)c1Cl 2353223510 UTSWEBFOTADPBJ-NHYWBVRUSA-N 298.213 5.000 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1CCC[C@@H]2C[C@H]12 2354329288 AEKUCPGVUQGPQU-VSZNYVQBSA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](NCC)c1ccccc1 2360200130 FSWKLUVODCXWHO-MAUKXSAKSA-N 289.488 4.980 30 10 CJEE C[C@@H](O)c1ccc(C#N)cc1SC[C@H]1CC[C@H](C)CC1 2360463825 APYKMPKOGQVHDP-MGPQQGTHSA-N 289.444 4.530 30 10 CJEE Cc1ccc(-c2nn(-c3ccccc3)cc2CS)cc1C 31885121 GJYVFBTYAJGKPK-UHFFFAOYSA-N 294.423 4.586 30 10 CJEE COc1ccc(/C=C\C(=O)c2c(C)cc(C)cc2C)cc1 34871798 GICYCDYLWNGKTP-YFHOEESVSA-N 280.367 4.517 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCCCC2)C1 35250466 MUGSMTQPBVJQIX-LZLYRXPVSA-N 290.495 4.996 30 10 CJEE CCN(C1CCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35766047 YXVBFUNLSOBQHO-BFYDXBDKSA-N 276.468 4.605 30 10 CJEE CC[C@@H](CC#N)Nc1ccccc1Oc1ccccc1 36987132 TZBGYUGSSDHTFC-AWEZNQCLSA-N 266.344 4.583 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SCc2ccccc2)C1 37154333 QWNNWUWPKZGILX-FVQBIDKESA-N 259.418 4.638 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Nc1cccc(Oc2ccccc2)c1 54826300 QSFOTDBVIGAPHE-KSSFIOAISA-N 278.355 4.583 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1ccc(C)cc1 57684894 WHWRHDXQNLSGHR-SFHVURJKSA-N 279.383 4.634 30 10 CJEE Cc1ccc(C)c(C[C@@H](C#N)c2ccc(Cl)cc2)c1 57759848 GGANCNRVERGUQJ-INIZCTEOSA-N 269.775 4.807 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(F)c(F)c1 59283889 FKLAJLLPGDUWDY-OAHLLOKOSA-N 255.352 4.586 30 10 CJEE Cc1ccc(C(=O)/C=C/c2ccco2)cc1C(C)(C)C 83193445 NTFARLKZIURKAA-MDZDMXLPSA-N 268.356 4.782 30 10 CJEE CC(C)(C)C1CCC(C#N)(CC[C@H]2CCCO2)CC1 87972248 NVQMMWQEDHBUSY-ISXOHVOVSA-N 263.425 4.692 30 10 CJEE CCC[C@](O)(c1ccccc1)C1(C#N)CCC(CC)CC1 91878249 LUXNLNUFUQIBNO-KVZIAJEVSA-N 285.431 4.784 30 10 CJEE SCCCCCCSc1ccc2c(c1)CCC2 94588885 LEDQMAQNNJQYAX-UHFFFAOYSA-N 266.475 4.758 30 10 CJEE COc1ccc(/C=C2/C(=O)[C@@](C)(C(C)C)CC[C@H]2C)cc1 100311981 KTSURIDWSSTAAA-STWLCTNKSA-N 286.415 4.740 30 10 CJEE CCCCCCCCOC(=O)c1ccc(F)c(C)c1 104427424 KIPPEIYRHIHXJL-UHFFFAOYSA-N 266.356 4.651 30 10 CJEE CCCCCCCNC(=O)c1ccccc1SCCC 105283238 RHNOMEXPWZFXJY-UHFFFAOYSA-N 293.476 4.889 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(OC)c(C(C)(C)C)c1 107613189 RQMWMUAIRJJIAD-KBPBESRZSA-N 258.405 4.756 30 10 CJEE CCCCCCCNc1cccc(Cl)c1-n1cccn1 109905100 KRYUMFCWSQESJR-UHFFFAOYSA-N 291.826 4.908 30 10 CJEE CCCCCCCO[C@]1(CNC(C)C)CCC[C@H](C)C1 110067913 DMEGAFSDHAXZSS-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE COc1ccc(Cl)c(Nc2ccc(C#N)c(Cl)c2)c1 110256937 VOYLHGHVGQYXQJ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCC[C@](C)(Nc1ccc(C)cc1)C(=O)OC 110318627 ZSKARXWDNFSQRN-SFHVURJKSA-N 291.435 4.699 30 10 CJEE CCCCCCC[C@@H](CNC1CC1)c1ccccc1 115075040 FZMDZOXSGAULFH-KRWDZBQOSA-N 259.437 4.883 30 10 CJEE CCCCCCCCCN1CC(CC)(CC)NCC[C@@H]1C 115269315 ATYHMZWWTORYRH-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@@H](NC)C1(N(CC)CC)CCCC1 118175957 BXLYLDSWGOSEIW-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](CSc1ccc(C)cc1)NN 126940425 NUIZAXBZIPDWTP-INIZCTEOSA-N 294.508 4.670 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(F)cc1C 130201756 RCWXZTBTDWWXHW-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CSc2ccccc21 135385951 NMPWENLSKMJBIB-HZPDHXFCSA-N 278.461 4.987 30 10 CJEE CSc1cccc(Nc2ccc(Cl)c(F)c2)c1C#N 136638838 SXEPURBSDFSFHN-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(Cl)n1 149787200 LLYSOOFVMWTKBR-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE CCCCCCCCN[C@H]1C[C@@H](OCC)C12CCCC2 159205984 GZZGSABVAKMDDK-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCNC[C@H]1Cc2ccccc2S1 160912314 BMYMWGMKMMJHLQ-MRXNPFEDSA-N 277.477 4.654 30 10 CJEE C=CC[C@H](C)NCc1cccc(Oc2ccccc2)c1 162610218 VARALJOBNRWGAH-HNNXBMFYSA-N 267.372 4.533 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](OC)c1ccccc1 163179548 WKQQLFWETGTEKD-MSOLQXFVSA-N 278.436 4.876 30 10 CJEE N#Cc1cc(Nc2ccc(F)c(F)c2)ccc1C(F)(F)F 164391642 IGXWOUQHHOGWGM-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE C=C(C)CCn1cc(CCCCNCC)c2ccccc21 164873949 TVDMBOYWLBULFE-UHFFFAOYSA-N 284.447 4.540 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C)c(Cl)c1 167765201 BSQXFHWUJIIMPU-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C[C@H](Nc1ccsc1Cl)c1ccc(C#N)s1 188754703 OSNWTLPJFQCMBU-ZETCQYMHSA-N 268.794 4.508 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)CCCOC1 203398957 ISTSSGZBJSEJJV-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@H](C)NN1[C@@H](C)CCC[C@H]1C 213923496 QFIOKALYJASSAX-HRCADAONSA-N 254.462 4.503 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1ccc(Cl)c(F)c1 215092570 DENBECLUOILKFT-NSHDSACASA-N 288.753 4.832 30 10 CJEE Cc1cccc(C#N)c1Oc1ccc(Cl)cc1Cl 221137930 ZGUWRUUTZWUAIA-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@H](NC)c1cc(Cl)ccc1OC 228480542 CTXHTNMYHWMONL-HNNXBMFYSA-N 283.843 4.970 30 10 CJEE C=CCC[C@H](C)Nc1c(C)cc(Br)cc1OC 228824430 WLRUBKQGTTYHQN-NSHDSACASA-N 298.224 4.533 30 10 CJEE CCCCCCCC[C@@H](N)c1cncc(OC(C)C)c1 229142772 GGETXIHGTUPHLH-QGZVFWFLSA-N 278.440 4.619 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2ccccc2s1 229756795 MLBZEGKDTGBRNB-CQSZACIVSA-N 259.418 4.908 30 10 CJEE C=C(CS)COc1cc(Cl)c(Cl)cc1Cl 231633833 AZVNRHJQLYLMLW-UHFFFAOYSA-N 283.607 4.512 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CN(C)CC 231860329 MWIRABJCOOSLAF-GOSISDBHSA-N 284.532 4.837 30 10 CJEE C=C(CNc1cc(C)ccc1Cl)c1ccccc1 232243163 RSOVSCHBNDOTEX-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1C(C)=O 232461397 AQLHLUUBALOIBW-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE CCCC(CCC)Nc1ccc(C#N)cc1Cl 232896638 GTEMZWJFSNUGLI-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CCCCCCCCCC[C@H](F)[C@H]1CCCCN1 232961187 FWFQMKBKLLJSBA-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE Cc1ccc(Cl)cc1NCCCCC(C)(C)C#N 235758692 DNDOAIGZYQIWLT-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE Cc1ccccc1N[C@@](C)(C#N)Cc1ccc(Cl)cc1 235790803 OFQBXXSTDYQZFI-QGZVFWFLSA-N 284.790 4.585 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@H]1[C@H](C)CC 250799756 CFYFDJRIHKRWTI-QYZOEREBSA-N 296.543 4.836 30 10 CJEE C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccccc1 254592792 ZCTQQBJMUFGNEV-UHFFFAOYSA-N 297.361 4.981 30 10 CJEE CC(C)(CC#N)c1ccc(C(F)F)c(Br)c1 260546385 DJLZDHCYXMORRK-UHFFFAOYSA-N 288.135 4.578 30 10 CJEE CCCCCCCC[C@H](C[C@@H](C)CC(C)C)NN 300994101 WBIJTEFMTOIVCJ-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2cccc(Cl)c2)c1 308100651 GXNIZZIKJSRSLP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1cc(Cl)ccc1C#N 308727382 NCJJNBZZMONHSW-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE CC(C)(C)C#CC[C@@H]1CCCC[C@@H]1CNC(C)(C)C 311348044 TYPDCEYNIVNNHM-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE CC(C)(C)C#CC[C@@H]1C[C@H](c2ccccc2)CCC1=O 312210747 PCKYREGDRNJCGX-IAGOWNOFSA-N 268.400 4.579 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCC[C@@H]1c1ccccc1 312506479 ZWUAGFFRWKTBCL-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C#N)CCCc3ccccc32)C1 312631819 IQURWMHHMQVMCB-MGTHKWJCSA-N 267.416 4.857 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CCSc2ccccc2)C1 316695643 HYSKXEJPMJKUBH-GDBMZVCRSA-N 262.418 4.564 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cscc1Br 380023611 XPXPOCBKGHBMOT-VHSXEESVSA-N 288.254 4.516 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1cccc(Cl)c1F 380313589 LDVWIQBTDXRHSM-LLVKDONJSA-N 295.785 4.728 30 10 CJEE CC(C)(C)c1ccc([C@H]2CC[C@](C)(CC#N)O2)s1 386102603 KCDHQFYFLIQRFX-IAQYHMDHSA-N 263.406 4.569 30 10 CJEE CCC(CC)(CS)CN(C)[C@H](C)c1ccc(C)s1 387341698 XDSPGFFLDYNBKM-CYBMUJFWSA-N 285.522 4.786 30 10 CJEE CCCCCCCCCNC1CCC(F)(F)CC1 390141503 UBHOVEBTZFGFPN-UHFFFAOYSA-N 261.400 4.905 30 10 CJEE Cc1cc(Cl)cc([C@H](O)C2(C#N)CCCCCCC2)c1 395067196 GFZLAOQXGMCTLD-INIZCTEOSA-N 291.822 4.936 30 10 CJEE N#C[C@H](CSc1ccccc1F)C1CCCCC1 397283055 FUEBUMBAIJCYHX-CYBMUJFWSA-N 263.381 4.638 30 10 CJEE C=CCCC[C@H](C)N[C@H](c1ccccc1)c1ccco1 398205641 YAAGUYIWZFEGRG-MAUKXSAKSA-N 269.388 4.703 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CC[C@@H](C)NC1 398962728 OFNHWARUJWSPFC-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)C[C@@H](C)CC 400811370 XOIFRZDUJUJNBR-HOTGVXAUSA-N 269.473 4.850 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCc2c(F)cccc2F)C1 402978867 GALGRDJHGNLTIC-WBMJQRKESA-N 263.331 4.617 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1 403357839 GWCGFLLTXKWLRH-XGELKXPVSA-N 262.437 4.844 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12CCC[C@@H]1OCC2 687405326 JDAABXBGBKILKZ-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(-c2ccccn2)cc1 689683837 FRQGQLPWUGPWTM-CQSZACIVSA-N 252.361 4.515 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693355654 YKPHLDFFRUFDFP-XGUBFFRZSA-N 273.411 4.616 30 10 CJEE N#Cc1ccc(NC2CCC(C3CCC3)CC2)cc1Cl 696131720 AISYKMHKTXEADN-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCN1CC(C)(C)CC[C@H]1CN 701581800 DXYPWJHWQSFDGU-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]12COC[C@@H]1C2 701903925 IJUFYBFUZDJGMT-WMZOPIPTSA-N 280.452 4.903 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cc(Cl)c(F)cc21 706435027 VOAHGYNMAHLFBM-UHFFFAOYSA-N 298.814 4.720 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@]34CCCC[C@@H]3C4)C[C@@H](C1)C2 708881334 VHFMNWDZHOKFHI-HFHYLLLSSA-N 273.464 4.680 30 10 CJEE C=C(Cl)C[C@@H](NCC)C(CC)(CC)c1ccccc1 710476429 PLNBVGLNKZGZMP-MRXNPFEDSA-N 279.855 4.865 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(OCCC)c1 710592029 RFZAFIOROWQQQZ-INIZCTEOSA-N 281.827 4.659 30 10 CJEE C=CCCCC(=O)c1c(Cl)cccc1C(F)(F)F 712539214 BERIMVZTSPSHDA-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE 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C(=N/Nc1cccc2cccnc12)\c1ccc2ccccc2c1 5521302 HVNMOTDZVCFBFH-HYARGMPZSA-N 297.361 4.834 30 10 CJEE C=C(CCCC)[C@@H]1CCCCN1C(=O)OC(C)(C)C 39172690 YDGSXCHRWNMFLJ-AWEZNQCLSA-N 267.413 4.522 30 10 CJEE N#Cc1cc(-c2cc3ccccc3o2)oc1C(F)(F)F 77086565 RVKCYLSXPJOMIC-UHFFFAOYSA-N 277.201 4.583 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCCOc2ccccc2)C1 87972395 CFGZSZCSYOFWBK-WMZOPIPTSA-N 271.404 4.956 30 10 CJEE CC(C)C1CCC(C#N)(Cc2ccncc2Cl)CC1 88792718 VSFTWNRRZKSAHI-UHFFFAOYSA-N 276.811 4.634 30 10 CJEE Cc1cc(Cl)cc(C)c1OCC[C@H](C)CCS 94583463 FAIJWRQOJPRTCR-JTQLQIEISA-N 272.841 4.682 30 10 CJEE CC(C)CC1(C(=O)[C@H](C#N)c2cccs2)CCCC1 94902798 KZRGDKMKAJJJKT-CYBMUJFWSA-N 275.417 4.531 30 10 CJEE C#CCCC[C@@H](Cc1ccc2ccccc2c1)NCCC 97390227 KGRCHDYZLYZLLD-FQEVSTJZSA-N 279.427 4.554 30 10 CJEE CCCCCCCCCn1nc(C)c([C@@H](C)NC)c1C 108042868 KNMCPDCJZNBFCW-CQSZACIVSA-N 279.472 4.531 30 10 CJEE CCCCN(c1ccc(C#N)cc1Cl)[C@H](C)CC 110256517 WPPRQYHWHSNGDL-GFCCVEGCSA-N 264.800 4.617 30 10 CJEE CCCCCCCC[C@H](CNC)Cc1ccccc1OC 110521213 MIEZWQRLPNDFNI-KRWDZBQOSA-N 291.479 4.824 30 10 CJEE Cc1ccc(C(C)C)c(Oc2ccc(F)cc2C#N)c1 111036976 OKMFBEWSMZGKLK-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE C[C@@H](CC(=O)[C@H](C#N)c1ccccc1Cl)C(C)(C)C 111650597 MWLQQUXQAHYJGW-WCQYABFASA-N 277.795 4.589 30 10 CJEE CCCCCCC[C@H](N)c1ccc(Cl)cc1F 112900305 FAVDTXLUXVVKNA-AWEZNQCLSA-N 257.780 4.839 30 10 CJEE CCCCCCCc1nc2cc(Br)ccc2[nH]1 113543788 FFAWZFUDSQTLTK-UHFFFAOYSA-N 295.224 4.838 30 10 CJEE CCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1CCC 115237733 VVJANEYSBKZGEX-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](C)c1ccccn1 117686182 UVUKRVNNCZTDRG-CVEARBPZSA-N 262.441 4.653 30 10 CJEE CCCCCCCCC[C@@H](CCc1cccs1)NN 123246822 WDQAAIWSPCNIMM-HNNXBMFYSA-N 282.497 4.653 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCC(C)(C)[C@H]1O 124015760 FPLMEEPKDOLBNC-SJLPKXTDSA-N 283.500 4.643 30 10 CJEE CCCc1ccc(Nc2cccc(SC)c2C#N)cc1 136623691 QSSZEZPJCXFWBT-UHFFFAOYSA-N 282.412 4.976 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(Cl)c(C)c2)cc1C 138251188 JWTSTDZYXPQMCM-MRXNPFEDSA-N 297.785 4.755 30 10 CJEE CCCCCCCC[C@@H](CCc1cccnc1)NCC 140432395 DFYFHPIOYZKLTA-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CC[C@@H](C)n1ccc(CC2(C#N)CCCCCCC2)n1 156744795 PACGNUQAJFSUFR-OAHLLOKOSA-N 273.424 4.651 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](OC)C(C)(C)C 159808048 MAYBOGNEGHIWIW-JKSUJKDBSA-N 271.489 4.776 30 10 CJEE C=CCCNC(=O)CCCCCCCCCCC 162205028 QEJXMCLBMMXISY-UHFFFAOYSA-N 253.430 4.600 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(c2ccccc2)CCC1 164579744 BUTJKVRKLYPUSY-SFHVURJKSA-N 271.448 4.833 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc2ccccc2c1 203445170 CJPRQWVEBYWEBJ-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE CCCCCC#CCCCCCO[C@H]1CCCCO1 207262345 YOPUJHJXVVJCDT-QGZVFWFLSA-N 266.425 4.674 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1cccc(Cl)c1 227611419 GSBMTYWWHYFSIC-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCOC(=O)c1cc(Cl)nc(C(C)C)c1 228482909 HDUCKADYHNMVMN-UHFFFAOYSA-N 297.826 4.986 30 10 CJEE CCCCCCCCCC(=O)C1(O)CCCCCC1 232927565 QVZONLRHOAESID-UHFFFAOYSA-N 268.441 4.782 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@H]1CNCCC 232961476 MTUJIBYRTXSPPE-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)c1ccc(Cl)s1 235193032 LZPOUKKJKJAOCX-LLVKDONJSA-N 284.856 4.772 30 10 CJEE N#Cc1ccc(N[C@H]2CCC23CCCCC3)c(Cl)c1 236032156 HTSLDUNJTICYSL-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@]1(C)CC 250843398 YXPINWLOLFNUPK-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@H]1CCCCC[C@H]1C#N 251790203 VPIWSAJUNPTTOK-KMFMINBZSA-N 290.838 4.805 30 10 CJEE C(=NNc1cccc2cccnc12)c1cccc2ccccc12 254482656 ABJKIBKVYIRLFB-UHFFFAOYSA-N 297.361 4.834 30 10 CJEE C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=NN)CC[C@H]12 254498710 OTWRKZRQJVDSJI-CWTKERLFSA-N 288.479 4.734 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC)CCC 276369263 CJFHMGUWAPBFDS-UHFFFAOYSA-N 288.435 4.802 30 10 CJEE N#C[C@H](Sc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 302375531 MDFBWWHINUYWMI-GVARAGBVSA-N 277.820 4.760 30 10 CJEE CC(C)(C)CCCOc1cc(Br)ccc1C#N 310117144 HHZOKEZPUFTMDG-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC2CCC1CC2 310923185 AUMDYXVUFHDHBQ-BACDZXNISA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](NC)c1c[nH]c2ccccc12 311333353 DUJYAYJMUPLJRA-INIZCTEOSA-N 258.409 4.789 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C1CCC(CC)CC1 311350619 VNUIRVSXHIAJBE-JCYILVPMSA-N 263.469 4.621 30 10 CJEE C[C@H]1CC(=O)C=C(c2ccc(-c3ccccc3)cc2)C1 312690629 FDFYHPBSDCURDD-CQSZACIVSA-N 262.352 4.736 30 10 CJEE C=CCOc1ccc(CN[C@@H](CC)c2ccc(C)cc2)cc1 315542518 MBSSLCFUNRZPAB-FQEVSTJZSA-N 295.426 4.801 30 10 CJEE CCC1CCC(C2(C=O)CCC(CC)CC2)CC1 316825707 KXJNHNNUXODLHV-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@H]2CCCc3ccccc32)C1 317770934 VYULFVKGRJKGJW-QGPMSJSTSA-N 256.389 4.502 30 10 CJEE C=C(C)CCC1(CNC(C)(C)C)Cc2ccccc2C1 318693241 HLTYMJVRRZAVPR-UHFFFAOYSA-N 271.448 4.516 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccc(Br)cc1 319627765 ANRJXCRBOPLEGP-MJVIPROJSA-N 280.209 4.738 30 10 CJEE C=CCCCCCCN[C@@H](C)c1c(F)cccc1OC 380190554 CVZQJESVQQMVKP-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE C=C([C@H](CCCCCCCCCCC)NN)C(F)(F)F 380223078 JSJXANAYCAFJSE-AWEZNQCLSA-N 294.405 4.858 30 10 CJEE N#C[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 380226628 KOGSHMDWHGBSQP-LVGORTOPSA-N 279.305 4.749 30 10 CJEE C[C@H]1C[C@@](C#N)(Nc2cccc(Cl)c2)c2ccccc21 380318139 MYPOEJZRPOJMEU-SJCJKPOMSA-N 282.774 4.678 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1c(Cl)cccc1[N+](=O)[O-] 385101662 ZUIWVAGJWXIZCS-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1c(F)cccc1Cl 394026371 GUTXCVHZSLCTCB-CQSZACIVSA-N 281.802 4.569 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 395313343 PYLCVUXLBBFHIC-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE CC[C@@H](CC(F)(F)F)C(=O)C1=CCCCCCC1 402637558 DVPNSMQVUUIRAE-NSHDSACASA-N 262.315 4.815 30 10 CJEE C#CCN(C(=O)CCCCCCCCCCC)C(C)C 688830806 HZOOPRLOJXRDQE-UHFFFAOYSA-N 279.468 4.778 30 10 CJEE CCSc1cccc(N[C@H](CC#N)c2ccccc2)c1 690156494 COBOZFCCKQFKRV-QGZVFWFLSA-N 282.412 4.865 30 10 CJEE CCCCCCC[C@@H](C)NCCCOC(C)(C)C 695282236 ZBOIPWXVGMSEGH-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCCC[C@H]3C)C[C@@H](C1)C2 697297055 PLFNBNYJEWTOIV-LPNAZMDGSA-N 261.453 4.537 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)c2cccc(Cl)c2C#N)CC1 697551584 RDDBYQGGQFNTJZ-CHWSQXEVSA-N 276.811 4.617 30 10 CJEE C[C@H]1CCC[C@@H](N(C)c2cccc(Cl)c2C#N)CC1 697551589 RDDBYQGGQFNTJZ-QWHCGFSZSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCCCC(=O)Cc1nnc(C)s1 698767278 SSHHWCMRGUWWQK-UHFFFAOYSA-N 296.480 4.879 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1NCCC 698809901 COJCOTLVMDBICB-KURKYZTESA-N 283.500 4.778 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ncccc2C)C1 701360794 WHSZQYIEGZKIGE-KFWWJZLASA-N 274.433 4.591 30 10 CJEE C=CCCC[C@H](C)NCc1cc2cscc2s1 703257409 QAUKNCMTVMZGSS-NSHDSACASA-N 265.447 4.797 30 10 CJEE C=CC[C@@H]1CCCCN(c2cccc(Cl)c2[C@@H](C)N)C1 703691073 QHZURILVPYBFCX-ZIAGYGMSSA-N 292.854 4.542 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 703773134 YAROXMPNBIBJMJ-RPVQJOFSSA-N 270.420 4.739 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)c1ccc(F)cc1 703989169 MTSAFRZFHXIZHF-INIZCTEOSA-N 263.400 4.859 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H](C)C(F)(F)F 705472185 ADDBGZICIPUCRB-NEPJUHHUSA-N 253.352 4.653 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)[C@]12CCCC[C@H]1C2 708864932 HQROWTCFDNCFJM-MQIPJXDCSA-N 274.795 4.592 30 10 CJEE CCC(CC)[C@H](C)/N=C1/NC2(CCCCCCC2)CS1 713210731 XFYDJNUGUOBIAG-AWEZNQCLSA-N 296.524 4.987 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCC[C@@H](CN)C1 713802916 UPWIVZXKKHENNW-IAGOWNOFSA-N 281.484 4.851 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CCCC[C@H]21 714275406 KBZIJJQLNZWKKS-KCPJHIHWSA-N 274.795 4.592 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)cc1Cl 714278441 YTPGQNBIGUFWOO-SGIREYDYSA-N 274.795 4.592 30 10 CJEE CCCCCCCCC[C@H](N)C1CC(C2CC2)C1 714475400 WHKYLAXDESDXPE-JCYILVPMSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)c(Cl)c1 715009352 IZNWWKKCNWLNCD-YGRLFVJLSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1cc(C(F)(F)F)ccc1Cl 715023919 PWZQYKZAUBYWNP-PELKAZGASA-N 278.701 4.604 30 10 CJEE C=CC[C@H](C)Nc1ccccc1Cc1ccccc1 715040820 TZSZYLYNNVMCDO-HNNXBMFYSA-N 251.373 4.654 30 10 CJEE C=CC[C@H](C)[C@](C)(CNC(C)(C)C)c1ccccc1 715791564 YOCKRSYXZWLEDV-YJBOKZPZSA-N 259.437 4.545 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc3c(c2)CCC3)CC1 724550621 UIWLVWUWRWTRHH-LJQANCHMSA-N 269.432 4.572 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cccc(F)c2C)CC1 724560410 PRCOAKXVMCTSEX-SFHVURJKSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](Cc2cccc(Cl)c2)C(=O)O)CC1 724576676 ISRRTSNLBKMABY-OAHLLOKOSA-N 292.806 4.720 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(F)cc2C)CC1 724588722 KOLMCIDQZSUYAA-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE C=CCN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 1124756590 JOAXATWGVJKCPZ-NZSAHSFTSA-N 297.442 4.812 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CCCC1(C)C 1128471668 BKSSLORZRBOSSH-XHSDSOJGSA-N 293.495 4.898 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(CC)c(CC)c1)c1ccccc1 1131134627 NFAHXLLNXMTNQR-LJQANCHMSA-N 294.394 4.896 30 10 CJEE C=C(C)c1cccc(NCc2cnc3ccc(Cl)cn23)c1 1179748049 WBCXONAGQLQIFJ-UHFFFAOYSA-N 297.789 4.633 30 10 CJEE C#CCCCCCCN(C)C[C@@H](C)C1CCCCC1 1196817888 CPJHNYOWXVKPBL-QGZVFWFLSA-N 263.469 4.718 30 10 CJEE C=C(CNC(=O)[C@@H](CC)CCCCCC)c1ccccc1 1274941302 GGAVNVMPNXPEEV-KRWDZBQOSA-N 287.447 4.813 30 10 CJEE C=CCCCN(CCc1ccccc1F)C1CCCC1 1307438884 PECLWSGOPCWQMW-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE C=CCCCCCN[C@H](c1ccc(F)cc1)C(C)C 1307721672 LZLVMOBXGCENBK-KRWDZBQOSA-N 263.400 4.859 30 10 CJEE C#CCN(CC1CCC(c2ccccc2)CC1)C(C)(C)C 1308087860 ILWFPIZMBABPON-UHFFFAOYSA-N 283.459 4.694 30 10 CJEE C=CCC[C@@H](CC)NCc1cccc(SCC)c1 1308804958 UKIWGRWJOUFHMW-OAHLLOKOSA-N 263.450 4.633 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1ccc(F)cc1Cl 1308859663 MHQMVEPLIILXMS-WMLDXEAASA-N 295.829 4.746 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1ccccc1)CC(C)(C)C 1359983880 BJJSZGFAPNDGIB-INIZCTEOSA-N 287.447 4.664 30 10 CJEE C=CCCCCCN(C)C(=O)CCCc1ccc(C)s1 1360624595 PVFTZIUYVJQPTC-UHFFFAOYSA-N 293.476 4.584 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C 1435135240 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CCCCCCCCc1cc(CC[C@@H](C)NCC)on1 2207457853 RAHLPXMLLGLXNC-OAHLLOKOSA-N 280.456 4.508 30 10 CJEE NCCCCCC#Cc1cc(Cl)c(Cl)c(Cl)c1 2212841370 IEQMAHIDLANYOY-UHFFFAOYSA-N 290.621 4.517 30 10 CJEE C=CCCCCCCC[C@H](O)c1cscc1F 2214621669 GRIOJGRRKNASHT-AWEZNQCLSA-N 256.386 4.837 30 10 CJEE CCCC(CS)(CCC)CSCCCOCC 2214719970 OQHMBHBLIAVPPK-UHFFFAOYSA-N 278.527 4.663 30 10 CJEE C=CC1(C[C@@H](O)Cc2cc(Cl)ccc2Cl)CCC1 2218640192 BVHGFTXLNVBZAL-ZDUSSCGKSA-N 285.214 4.643 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1scc(C)c1C 2218800116 IPFSXIHVWKXTJR-HUUCEWRRSA-N 265.422 4.509 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@H]1OC 2220553834 ALUQSLUYLICJNM-GOEBONIOSA-N 254.414 4.511 30 10 CJEE SCCCCCCCCCO[C@@H]1C[C@H]2CC[C@H]1C2 2223893193 MAJLWUBWAYDVJB-HRCADAONSA-N 270.482 4.852 30 10 CJEE C=CCCCC[C@@H](N)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225322791 XGKPBYRVRVCTTN-LXTVHRRPSA-N 271.395 4.522 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225346663 AAINVZRWRYWBRP-AVEIZBFRSA-N 262.437 4.988 30 10 CJEE 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CC(C)(C)C#CC=CCC(=O)C[C@H](C(F)F)C(C)(C)C 2284111378 IWLJYPHQMUSUSN-CQSZACIVSA-N 284.390 4.869 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C[C@H]1CCCCC12CC2 2284140951 ANZLYIHXPXTNRK-IAGOWNOFSA-N 274.448 4.704 30 10 CJEE Cc1cc(C)c(C)c([C@H](O)CC=CC#CC(C)(C)C)c1 2284143074 NKQKXAZCPSLGPR-GOSISDBHSA-N 270.416 4.641 30 10 CJEE CC[C@H]1CCC[C@@H](CNCC=CC#CC(C)(C)C)CC1 2284182796 ITPAIACTNGXMRG-ZWKOTPCHSA-N 275.480 4.788 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@](C)(O)CCC(C)C 2287390071 LRKMEKHAJHQUQO-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C=O)CCOCC1(C)C 2287908950 BHPJMTXRWWUFHO-SJLPKXTDSA-N 282.468 4.861 30 10 CJEE CN(C[C@]12CCCC[C@@H]1CC2)c1ccc(C#N)cc1Cl 2289084039 MHMZIIGCMDUADR-RHSMWYFYSA-N 288.822 4.618 30 10 CJEE CCCCCCCCCC[C@@H](O)C1CCCNCCC1 2289548516 SQIZQJBSTRKYSN-GOSISDBHSA-N 283.500 4.658 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1[C@H](N)C(C)(C)CCC1(C)C 2290209002 DMFHGDHUYGOCHC-OWCLPIDISA-N 281.484 4.680 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)C[C@@H](C)[C@@H]1C 2292648743 AVPWCGPQJIDHMQ-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@H](OCC(=O)O)C1(CCC)CCC1 2292699366 BGABNEFFYYZUQW-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)c1csc(C)c1 2292765577 FEMLSTSCRFUAAO-QGZVFWFLSA-N 295.492 4.774 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCCC(C)=C1C 2292788560 XSXKNVTZGQZYHV-SFHVURJKSA-N 279.468 4.747 30 10 CJEE C=CCCCCC[C@H](OCCCN)C1CCCCCC1 2292890763 FLBOLCMLKTVIOF-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@H](C)[C@H]1C 2293409263 YZMLSUBVEMJQLO-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC1(OCCCN)CC(CF)C1 2293458261 LQUBEOMNKUPIQV-UHFFFAOYSA-N 287.463 4.611 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCC[C@H](CCC)CC1 2294258787 ZRGCVZFHBIASIH-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)C1=CC[C@H](C)CC1 2294401604 BLNHBASEMSGHHK-WMZOPIPTSA-N 281.484 4.827 30 10 CJEE CC1(C)CCC([C@@](C)(O)C#Cc2ccccc2Cl)CC1 2295243537 VBPYRSOEUIINRT-SFHVURJKSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)C(C)(C)C(=O)O 2295530768 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C=CCCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2325184133 MZMHZNCNXAXAQJ-UHFFFAOYSA-N 290.209 4.921 30 10 CJEE CCCCc1ccc(C(=O)C=Cc2cccc(O)c2)cc1 2325787873 OGVPEDFZZAIUBT-UHFFFAOYSA-N 280.367 4.631 30 10 CJEE C=CCCCCCCCSC1(C(=O)O)CCCC1 2326936373 GVLLWBTXJUPJPK-UHFFFAOYSA-N 270.438 4.644 30 10 CJEE C#CC(C)(C)CN[C@H](C)c1ccc(Cl)c(C)c1Cl 2327871656 DLEODGOICGNLLZ-LLVKDONJSA-N 284.230 4.612 30 10 CJEE CC(=NOCc1ccc(C#N)cc1)c1ccc(C(C)C)cc1 2330454622 SPKUSMLXOYHARL-UHFFFAOYSA-N 292.382 4.622 30 10 CJEE CCCCCCCCN(C)[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2332408794 OJIYXZFCWQWLTC-KFGODFMUSA-N 263.469 4.713 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]2C2CCCCC2)NCC)C1 2332774558 RWNBAHGEJXSLJX-RYQLBKOJSA-N 261.453 4.537 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1csc2ccccc12 2337152714 FUKRSZBFSUZGKF-XJKSGUPXSA-N 271.429 4.736 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C)P(C)(C)=O)NCCC 2338733979 APYZLSMYMRZEQK-GDBMZVCRSA-N 285.412 4.524 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCCCCC1(F)F 2338743568 GSKOZRBBUKOPGE-CABCVRRESA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](CC1C[C@@H]2C[C@H]2C1)NCCC 2338749866 NAOKFYHZMNHCSH-KURKYZTESA-N 261.453 4.559 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)[C@H](C)C(C)C 2340208264 JSXBMWXPBIZJDE-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CC1(C)C[C@@](C#N)(CCCC2=CCCCC2)CCO1 2341042546 NXDBTWJSBPBPSU-QGZVFWFLSA-N 261.409 4.756 30 10 CJEE CC[C@@](C#N)(Cc1cc(F)ccc1C1CC1)C(C)C 2341752181 SOBTYLSYRUYNEM-KRWDZBQOSA-N 259.368 4.822 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@H]1C[C@H]1C1CCCCCC1)NCC 2341885357 QZNXOGPSWKZFSB-OWSLCNJRSA-N 261.453 4.537 30 10 CJEE C=CCCCCCC[C@H](O)c1cccnc1C(C)C 2342158997 XNHPQLBKSQKWOE-INIZCTEOSA-N 261.409 4.765 30 10 CJEE O=CC1(CC[C@H]2CC[C@@H]2C2CC2)CCC2(CC1)CC2 2342538703 VXWPBPHBASDYMH-HZPDHXFCSA-N 260.421 4.742 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@H]1C(F)F)NCCC 2344341798 FGPLHIDHOQHGBH-XQLPTFJDSA-N 273.411 4.638 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc2cccc(C)c2o1 2344369031 LNMZILJCOUMLNO-MRXNPFEDSA-N 257.377 4.604 30 10 CJEE CCCCCCCCCOCC(=O)[C@H]1CC12CCC2 2345029142 XCTYFFZJXKIYKB-OAHLLOKOSA-N 266.425 4.513 30 10 CJEE C#CCCCCCCCOc1ccc(C#N)c(Cl)c1 2353130372 VTBXEJLUGQTSMR-UHFFFAOYSA-N 275.779 4.564 30 10 CJEE C=C[C@@](N)(c1ccc(CCCCCC)cc1)C(C)C 2353134740 XUFLDASMLAUJKC-SFHVURJKSA-N 259.437 4.805 30 10 CJEE CSc1cc(N[C@H]2CC[C@H]2C(C)(C)C)ccc1C#N 2353828916 TZYGHWFAVYDHKQ-KGLIPLIRSA-N 274.433 4.517 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138371 OVCNWTZNHMVHLT-XJNFMUPTSA-N 294.508 4.597 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355162086 IFMZGVZMLRKZQL-JJXSEGSLSA-N 285.422 4.782 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC[C@@H]1C[C@@H]1C)NCC 2358712341 BWGHJHOIVYHEOZ-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Sc1nc(C(F)(F)F)ccc1C#N 2360380592 FRODFFKSFLHFRD-UHFFFAOYSA-N 298.333 4.585 30 10 CJEE Cc1ccccc1N/N=C/c1c(Cl)cccc1Cl 7892212 HIHABCPBTYWSOI-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE COc1ccc(/C=C2/CCC/C(=C\c3ccco3)C2=O)cc1 34262901 RLCAXHXQSJKNAL-RHDGPOJRSA-N 294.350 4.508 30 10 CJEE CC(C)(C)CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 50039087 HRCHMWOBFNUQHQ-SNVBAGLBSA-N 284.186 4.606 30 10 CJEE N#Cc1ccccc1CSCCCCOc1ccccc1 58239835 ZGAWRBLOPZWLSK-UHFFFAOYSA-N 297.423 4.651 30 10 CJEE CCCCCCCCCOc1ccc(CNC)cc1OC 59178855 DAKWMVRUILJFRA-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1cnc2ccsc2c1 68691013 QQHKDJKZHLZFJY-GFCCVEGCSA-N 293.395 4.535 30 10 CJEE CC(C)(C)c1ccccc1N[C@H]1CCCCC[C@@H]1C#N 71174202 BTQPFEDFEHCUOO-ZBFHGGJFSA-N 270.420 4.868 30 10 CJEE C=CCCC[C@@H](Cc1cc(C)cc(C)c1)NCCC 71277060 TYBHHNWKMDGTQL-SFHVURJKSA-N 259.437 4.570 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@@H](C(C)C)CC1 86949202 XXNKBSSXUAGKKX-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE Cc1ccc(OCC2(CS)CCCCC2)cc1C 94582885 HVFBPTGKLFMYKO-UHFFFAOYSA-N 264.434 4.563 30 10 CJEE CC[C@@H]1CC[C@H](C)N1CCCCCCCCCS 97799556 NIIHPSDFVBAVPC-JKSUJKDBSA-N 271.514 4.910 30 10 CJEE CO[C@H]1CCC[C@H](OCCCCCCCCCS)C1 97799800 ZCTPWCWQLPHJLQ-HOTGVXAUSA-N 288.497 4.621 30 10 CJEE CCCCCCCNCc1ccc(Cl)cc1F 106265544 HEVJDPITTPLQAY-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCCCCCCCCCCOCCNCC 109652717 SDBGBSZTHDEMOO-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCCCCOCC[C@H]1CCCCN1 109652725 VHCQAFRHXVJYSU-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)Cc1ccccc1 109961750 FXMVCUJZSABXJY-DLBZAZTESA-N 261.453 4.956 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CNCCC)C1 111610798 RHRGGZIIUIVUIR-IBGZPJMESA-N 296.543 4.839 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CCOc2ccccc21 116260211 KZIIHMBSYCBDQK-NVXWUHKLSA-N 276.420 4.664 30 10 CJEE CCCCCCCCC1(c2cccc(C)c2)CNC1 118885900 APPWVHQKGXULBJ-UHFFFAOYSA-N 259.437 4.587 30 10 CJEE N#Cc1c(Cl)cccc1Nc1c(F)cc(F)cc1Cl 124304355 KCSCBCROMKNMLO-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCc1nc2ccc(C#N)cc2n1C 124487170 KHPMOMZPLLGHGY-UHFFFAOYSA-N 283.419 4.738 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(F)ccc2Cl)C1 126019354 DHGJMOYKLQDUGO-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(Cl)s1 128747372 WUVGLVVWYNPTCI-LLVKDONJSA-N 257.830 4.799 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)OCC 132331803 FMCSPPXGISIZNE-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ncc(C)cn1 132334882 ZDHCSAODWFRGEU-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE CCCCCCCCOC[C@H](NCCC)[C@H](C)CC 132882531 CEUOTTQNCMRDRW-SJORKVTESA-N 271.489 4.778 30 10 CJEE CSc1cccc(NCCC2CCCCC2)c1C#N 136630239 VKGDRMFPBXYGBI-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1Cl 156270797 ZIPVFFCQTSZOTP-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CCCO1)NCC 158953134 YUQZGWOFJIDHLR-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCn1c(N)nc2ccc(Cl)cc21 161090074 MEZSFXWNZMKBQD-UHFFFAOYSA-N 279.815 4.632 30 10 CJEE CCCCCCC[C@H](NCC)C(CC)(CC)OCC 164322445 OPEZSXSCMGSWJI-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CC[C@](O)(c1cccc(F)c1)C1(C#N)CCC(C)(C)CC1 167007954 CGFDDAFOCDWGEI-SFHVURJKSA-N 289.394 4.533 30 10 CJEE COc1ccc(-c2ccc(C#Cc3ccccc3)s2)cc1 197005000 RAJURMPWGBVHMZ-UHFFFAOYSA-N 290.387 4.824 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(OC)c2)C1 222246578 SCWROAPGJWDCGZ-WWGRRREGSA-N 275.417 4.506 30 10 CJEE CCCCCCC[C@H](NC)c1cnccc1C(F)(F)F 225498377 TXWDJMDJIUMYNV-AWEZNQCLSA-N 288.357 4.721 30 10 CJEE CCCC[C@H](CCC)NCCCCC(C)(C)C#N 226026035 LZDONFDOIWPFIG-HNNXBMFYSA-N 252.446 4.655 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(N)CCC[C@H](C)C1 226462978 ANMRESKZAHBOJD-DOTOQJQBSA-N 267.457 4.604 30 10 CJEE CCCCCCCCNc1cncc(NCCC)c1 228345823 CQFWUZRYJZDLNX-UHFFFAOYSA-N 263.429 4.676 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)C1 230989215 GEIBSKTUJCYYBI-OCCSQVGLSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@](C)(CC)OCC 233124461 FOXGUYXINZGNCP-DLBZAZTESA-N 269.473 4.696 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2C)C1 233925196 JYHLYABJDJUHOQ-XOKHGSTOSA-N 291.822 4.792 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(Cl)c1)NC 234427233 KPPSSUQDLLUOET-INIZCTEOSA-N 265.828 4.607 30 10 CJEE N#Cc1ccnc(Oc2cccc(Cl)c2Cl)c1Cl 236061649 VRZLOOWMOALHLQ-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE N#Cc1ccc(Oc2ccccc2F)c2ccccc12 236150386 XWFFJYJYTJSOOY-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE C[C@H](C#N)[C@H]1CCCC[C@H]1c1ccc(Br)cc1 251016531 BAHXXGNZCKDCPE-DFBGVHRSSA-N 292.220 4.883 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@@H]2[C@H](C)C#N)cc1OC 251066845 XGLNHUZVWCMGLM-BMFZPTHFSA-N 287.403 4.527 30 10 CJEE ON=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254343134 URHQYQOTIFBSAB-UHFFFAOYSA-N 288.350 4.965 30 10 CJEE C[C@H](CC=O)c1ccc(OCc2ccccc2)c(Cl)c1 258592047 QLJZOMAEUNEELT-CYBMUJFWSA-N 288.774 4.612 30 10 CJEE CCCC(CCC)[C@H](CC#CC(C)(C)C)NCC 310622985 PDCOSZLWEAARAB-INIZCTEOSA-N 251.458 4.621 30 10 CJEE Cc1cc(SCC[C@@H](C)CCS)nc2ccccc12 311886208 XDIJEAJDVXAIKJ-LBPRGKRZSA-N 291.485 4.981 30 10 CJEE CCCC[C@H](CC)COc1ccc(CC(C)=NO)cc1 312149407 FVIMNQUKIYIJKT-HNNXBMFYSA-N 277.408 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCOCc2ccccc2)C1 316789002 HHCVTJCCRIKRJK-IEBWSBKVSA-N 288.431 4.769 30 10 CJEE CC[C@H]1CCC[C@](CC#CC(C)(C)C)(CNC2CC2)C1 318213612 SZEKJLIXUGGBSD-QFBILLFUSA-N 275.480 4.765 30 10 CJEE CCO[C@H]1C[C@@H](C2(C#N)CCCCCCC2)C1(C)C 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CCCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1CCC 2135429235 WSDQYHAHAJPWBA-ULQDDVLXSA-N 268.489 4.785 30 10 CJEE C=CCCC[C@H](C[C@H]1C[C@@H]1C1CCCCC1)NCC 2135617331 HJRZHIDFTZDZMG-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccc(Cl)cc1F 2138957949 BTFHREKVLVUORK-INIZCTEOSA-N 281.802 4.713 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H]1CCCC1(C)C 2138959456 SAXAUWAPFLVRDT-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CCCCCC#CCN[C@H]1CCCCC12CCCC2 2138964444 WDVLSXVZFCAMPP-KRWDZBQOSA-N 261.453 4.663 30 10 CJEE CCCCCC#CC[C@H](N)c1cc2c(s1)CCSC2 2138999334 DMXDDSRMYBFZKI-AWEZNQCLSA-N 293.501 4.511 30 10 CJEE C=CC1(Cn2c(S)nc3cc(C)c(Cl)cc32)CCC1 2141653930 PSTGVZSATHDDBH-UHFFFAOYSA-N 292.835 4.643 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(OC)c(C)c1 2141905610 MVTBRXPLEIAFPF-INIZCTEOSA-N 261.409 4.530 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H]1CC[C@@H]1OC 2142391979 LNGUULFWTBUBTB-WBVHZDCISA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCCC(=O)c1snnc1C 2142452407 HCTAFFBTNMEYDL-UHFFFAOYSA-N 280.437 4.726 30 10 CJEE 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299.361 4.673 30 10 CJEE C=CCOc1ccccc1C(=O)C[C@@H](C)CC(C)(C)C 2163963596 OIGBTEGRPDEYFU-CQSZACIVSA-N 274.404 4.897 30 10 CJEE C=C1C[C@@H]1C[C@@H](NC)c1ccc(-c2ccccc2F)s1 2164164500 BONSIZADLOCKRW-IUODEOHRSA-N 287.403 4.781 30 10 CJEE CCC[C@H]1CCC[C@H](NCC2(C#N)CCCCC2)CC1 2166303822 JHRYMSDRUPQMIC-IRXDYDNUSA-N 276.468 4.799 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)[C@@H]1CCCC(C)(C)C1 2168569304 NYGXQWOGNHKGQW-QWHCGFSZSA-N 274.383 4.714 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)[C@@H]1CCCC(C)(C)C1 2168572505 WLMXYORRNICSHP-GOEBONIOSA-N 270.420 4.769 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCCC(F)(F)C2)CC1 2168916283 SXGWZQOKXCHCJB-HOTGVXAUSA-N 285.422 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H](O)c2ccc(C)cc2)C1 2169648561 YVGLHDMCIKFIBZ-KBAYOESNSA-N 271.404 4.529 30 10 CJEE CCC1(CC)CCC(O)([C@]2(C#N)CCS[C@@H](C)C2)CC1 2171426552 IGRNEAWHJHHJEF-GOEBONIOSA-N 295.492 4.523 30 10 CJEE CC[C@H]1CC[C@](C#N)(C2(O)CCC(CC)(CC)CC2)C1 2171440056 QOCYSDHCELTYCN-RDJZCZTQSA-N 277.452 4.818 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](N)[C@@]12CCCC2(C)C 2173653607 YPVPYQCNAADULC-NUJGCVRESA-N 281.484 4.660 30 10 CJEE C#CCC[C@@H](CN)OCCCCCCCCCCCC 2176273181 LAFFGTQDDMJATK-SFHVURJKSA-N 281.484 4.665 30 10 CJEE N#Cc1cc(F)c(NC2CCC3(CCC3)CC2)cc1Cl 2177390701 WRTSZHDFCZSQGK-UHFFFAOYSA-N 292.785 4.876 30 10 CJEE CC(C)=CCCCOc1ccc(C#N)c(C(F)(F)F)c1 2177798840 XQABFWWFJSWKHL-UHFFFAOYSA-N 283.293 4.702 30 10 CJEE CC[C@@H](C)c1ccc(C#Cc2cccc(NC)c2)cc1 2179352419 KXFYLDJIJYEVBS-OAHLLOKOSA-N 263.384 4.642 30 10 CJEE C=CCCCC[C@H](NCCC)c1cccc2c1COC2 2179683555 VSRAALWCTUONIU-SFHVURJKSA-N 273.420 4.504 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cccc(OC(F)F)c2)CC1 2181647777 QYLPGHKDYBELJY-LLVKDONJSA-N 280.314 4.607 30 10 CJEE CCCC(CCC)[C@H](O)C(=O)C1=CC[C@@H](C(C)C)CC1 2181674809 VTMHRFWDLJLACE-PBHICJAKSA-N 280.452 4.515 30 10 CJEE C=C1CC([C@@H](CC2CC3(C2)CC(C)(C)C3)NCCC)C1 2183163164 WSJJQHZCJWOETI-QGZVFWFLSA-N 275.480 4.927 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](NCCC)CC(C)(C)C1 2183580075 WJFMGDUXGBWUDJ-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@]2(CCCOC2)C1 2185138498 SOYXRCYTRAIHSX-KSZLIROESA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(C(C)(F)F)n1 2185928913 NTRNVIVERQBERK-ZDUSSCGKSA-N 284.394 4.814 30 10 CJEE Cc1nc(Oc2ccc(C#N)cc2F)sc1C(C)(C)C 2186487819 BONCEONPDHICNU-UHFFFAOYSA-N 290.363 4.552 30 10 CJEE CCCN[C@@H]1CC[C@@H](C(C)C)C[C@H]1CC#C[Si](C)(C)C 2187480876 OMEWKRDZFSVSAL-KZNAEPCWSA-N 293.571 4.698 30 10 CJEE C[C@@H]1CCC[C@]2(CSC(=N[C@H](C)C3(C)CCCC3)N2)C1 2187765004 USLQSBKGCPRHTM-CKEIUWERSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@]1(C=O)C[C@H](OC)C12CCC2 2190392726 LFELDUVANNQLPT-DLBZAZTESA-N 280.452 4.901 30 10 CJEE CO[C@@H]1C[C@](C#N)(C[C@@H](C)C2CCCCC2)C12CCC2 2190407188 HWIUAULTTLLNJT-OIISXLGYSA-N 275.436 4.692 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C[C@]12CCC[C@H]1C2 2190975067 QMWUVMPEOIIQLI-XYJFISCASA-N 280.452 4.637 30 10 CJEE CC#CCCC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2194065411 QOGZUXBXMXQPRL-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1C[C@@H](OC)C1(C)C 2195679816 RHWQXUDCDWQAOK-IAGOWNOFSA-N 283.500 4.872 30 10 CJEE C#CC[C@@H](CC1(C=O)CC(C)(C)CC(C)(C)C1)C1CC1 2196717468 WYCBAXHGFIRSGK-INIZCTEOSA-N 274.448 4.848 30 10 CJEE CCCC1CCC(C#N)(C[C@@]23CC[C@@H](C2)[C@@H](C)O3)CC1 2198682292 ULSRSYTVQRKYFD-OVRXAANBSA-N 275.436 4.834 30 10 CJEE C=C1CC(CNC2CC2)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2200337009 CVTPOJXOTBTTBB-WMZOPIPTSA-N 273.464 4.681 30 10 CJEE N#Cc1cc(Cl)cc(OC[C@@H]2C[C@H]2C2CCCCC2)c1 2200495667 ABBJGURNFJYCIZ-YOEHRIQHSA-N 289.806 4.807 30 10 CJEE CCCCCC#CC[C@H](NCC)C1(C(C)(F)F)CCC1 2203810637 POACWLKOBSQECQ-HNNXBMFYSA-N 285.422 4.764 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1CC2(C1)CC21CC1 2203827467 LYSQXRMNNASAMG-TVRKMHQQSA-N 273.464 4.519 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@H]1C[C@@]1(C)C(F)F 2203834264 QCSXLNTVZHJLIL-HLLBOEOZSA-N 285.422 4.620 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C2C3(CCC3)C23CCC3)CC1 2203983684 KQFNLHUOPUEECX-CQSZACIVSA-N 272.432 4.908 30 10 CJEE C=CC1(CNc2cc(C)c([N+](=O)[O-])cc2Cl)CCCC1 2204612179 VDUIDTNYWIRDAZ-UHFFFAOYSA-N 294.782 4.715 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H](CC)COC)NCCC 2206894028 GJZOJZUPJGLYRD-MSOLQXFVSA-N 283.500 4.944 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2206903681 UOWWRXTZAHXVMS-XNIJUTNWSA-N 275.480 4.783 30 10 CJEE C=CCCCCCCCCC(=O)[C@]1(O)CCCC12CC2 2207384858 LGQNCEWJXHRCJF-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1CCCC1(C)C 2207442038 NHJWAJNJDSQUBZ-DLBZAZTESA-N 280.500 4.951 30 10 CJEE CCCCCCCCCNc1ccc(C(=O)O)cc1C 2207444135 HALLRQLOXCMZPX-UHFFFAOYSA-N 277.408 4.856 30 10 CJEE C=CCCCCCCCCCC[C@@H](CN(C)C)NCC 2207450375 ULXZSKCRJJLSEI-SFHVURJKSA-N 282.516 4.613 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1SCCCCC1CC1 2214555274 DXOTYZGRNNXGAH-CABCVRRESA-N 251.439 4.772 30 10 CJEE C=CCCCCCCC[C@@H](O)CS[C@H](C)CC 2214612477 CJSJGCISOVESJH-HUUCEWRRSA-N 258.471 4.796 30 10 CJEE CCCCCCCCCCNC[C@@H](SC)C1CC1 2217851524 HPWHJGFEKKKSAY-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE CCCCCCCC[C@H](NN)c1scc(C)c1C 2218831084 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HFVNEYGBALVHFU-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE C=CC[C@@H](CNC1CCC1)[C@@H]1CCC2(CCCC2)C1 2231499981 NKUMIOLMILPWPD-CVEARBPZSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[C@@]1(C)NC[C@@](C)(C(C)(C)C)O1 2231853877 CRILFOWNLBYREA-IRXDYDNUSA-N 269.473 4.878 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H](OC)C1(C)C 2231946069 MLAUTCXEWJIAGY-JYJNAYRXSA-N 269.473 4.529 30 10 CJEE CC1CCC(C#N)(Cc2ccc3occc3c2)CC1 2232355226 HENOUVDRJNCKRF-UHFFFAOYSA-N 253.345 4.695 30 10 CJEE CCCCCCCCOc1cc(C)c(F)cc1[C@H](C)O 2232420900 XGBZTGIQRQIPFF-AWEZNQCLSA-N 282.399 4.927 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1OC[C@@H]2CCCC[C@@H]12 2233391656 PWRDKSPCEYOPEK-UIBIWLFHSA-N 275.436 4.692 30 10 CJEE C=CC[C@@H](CNCC)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2233687670 CACQUKLTYHFEIZ-WZYMTQMTSA-N 285.422 4.640 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1c(F)ccc(F)c1Cl 2233782685 PUMGQTPAYCUVRX-CYBMUJFWSA-N 299.792 4.708 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ncc(C)cc1C 2235532683 MVRVGTAXISFAOH-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1ccc(C)cc1F 2235533198 SABKEQBWBXOAAJ-QGZVFWFLSA-N 278.415 4.555 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)CC1 2239487498 QUKFICTZODPQEY-YJBOKZPZSA-N 290.834 4.803 30 10 CJEE CCCCCCCCCCOc1cc(CN)c(Cl)cn1 2239500115 CPAMBTZKLDIVOC-UHFFFAOYSA-N 298.858 4.713 30 10 CJEE CCCCCCCCCCO[C@]1(C(=O)O)C[C@H](C)[C@H]1C 2239505134 WEGOLWLSUDKVHS-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CC)C(=O)c1ccccc1 2239563372 RFBNKQAAEBFKBW-IAGOWNOFSA-N 274.404 4.799 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H](C)c1ccc(C)cc1 2240823350 DSGJRQNXZXKDEZ-MJGOQNOKSA-N 271.448 4.660 30 10 CJEE CC1(CSCC2(CS)CCCCC2)CCC1 2245503562 CDPVTWFSOCALPX-UHFFFAOYSA-N 258.496 4.790 30 10 CJEE N#Cc1cccc(F)c1Sc1ccccc1Cl 2247135515 FHFRBHIUTCSMIY-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE C[C@@H](CC(C)(C)C#N)SCC1CC2(CCC2)C1 2248333851 DGKMOTOPAZMFIH-LBPRGKRZSA-N 251.439 4.628 30 10 CJEE C[C@H](CC(C)(C)C)Nc1c(Br)cccc1C#N 2248967419 XVCJNDTYDAYQAF-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE CCCC[C@@](C)(C#N)Cc1cc(Cl)nc(Cl)c1 2249829262 QJSLWQQKHCIYRS-CYBMUJFWSA-N 271.191 4.651 30 10 CJEE C=CCCCCCCCSC[C@@H](O)CCCC 2250038302 MWPMYXNFTPKLFW-HNNXBMFYSA-N 258.471 4.797 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1cc(Cl)ccc1Cl 2250902294 RMUSBKGSUYECEP-GHMZBOCLSA-N 272.219 4.856 30 10 CJEE C=C[C@H](C)CCN(C)Cc1ccc(Cl)cc1Cl 2251016925 RTLLWSFVXKFOOA-NSHDSACASA-N 272.219 4.637 30 10 CJEE C=CCCCS[C@@H]1C[C@H](CCC)CC[C@@H]1NCC 2258975314 GUMFEBYMPJNNBS-OWCLPIDISA-N 269.498 4.633 30 10 CJEE C=CCCCSC[C@H](N)c1ccc(C(C)C)cc1 2258976094 OBJQIJPKQPQRLI-INIZCTEOSA-N 263.450 4.509 30 10 CJEE C=CCCCCCCCSCC1(O)CCCCC1 2259005631 ARDYBMLUOJCBHH-UHFFFAOYSA-N 270.482 4.941 30 10 CJEE C=CCCCSc1c(CNC(C)C)sc(C)c1C 2259044146 HKIWZTOWEBCNLR-UHFFFAOYSA-N 283.506 4.921 30 10 CJEE C=C(C)CCCC[C@@](O)(CC)c1ccc(F)cc1 2259191762 XOTOSNSLYKNDQX-INIZCTEOSA-N 250.357 4.560 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1 2259214058 YBOZQIONJAMRKF-YYIAUSFCSA-N 250.426 4.700 30 10 CJEE C=C(C)CCCC[C@@H]1CCCCC[C@@H]1CNCC 2259231333 IKSOHOUCBRLGLA-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@]1(O)CCCC[C@H]1C(F)(F)F 2259233084 JQLJLLSSJHAVAZ-OLZOCXBDSA-N 264.331 4.607 30 10 CJEE C=C[C@@H](C)CCNCc1cc(-c2cccs2)cs1 2260234166 RZBRAEFHUGEXOV-GFCCVEGCSA-N 277.458 4.778 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]12CCC[C@@H]1CC2 2260547860 XGMZAKIVSOJLNX-BBWFWOEESA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC[C@@H](C)OC 2263660027 KZKYBDKVNWVVDS-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H](C)COC 2263666154 PLPLPUYSUUWPEC-HOTGVXAUSA-N 258.446 4.551 30 10 CJEE C[C@@H]1CC=C(C(=O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 2264915634 PGAQKXILADWFKW-RAIGVLPGSA-N 274.326 4.671 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(F)ccc1Cl 2268106288 ULQHQVMVEFDGIM-GJZGRUSLSA-N 283.774 4.623 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)CCCC2(C)C)cc1 2268250778 IQNBUTDFMMTGRH-GOSISDBHSA-N 255.405 4.902 30 10 CJEE CCC(CC)(CC)[C@@H](CC=CC#CC(C)(C)C)NC 2268756032 ZVIHBECYWYGFOU-MRXNPFEDSA-N 263.469 4.787 30 10 CJEE C=CCCS[C@H]1CC2(CCCCC2)CC[C@H]1NCC 2271584593 HQKSLBOIXXQCJF-CVEARBPZSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@]1(C)C(F)F 2271782278 WIJBHUPIPADZAA-OFQRWUPVSA-N 273.411 4.782 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](C)(F)C(F)(F)F 2271786051 SKNCNXYJVRIAEW-OLZOCXBDSA-N 283.353 4.782 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@@H]1CC12CCC(F)(F)CC2 2271795671 AHEIHFKJMRRUBP-UONOGXRCSA-N 272.379 4.699 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccc(F)c(Cl)c1)NC 2271796161 CUTCSEITNCOOJZ-CQSZACIVSA-N 283.818 4.746 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NCCC 2271800550 ZKRBHZNBDBZFNO-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CC1(CNc2ccnc(C(C)(C)C)c2)CCCC1 2273641188 JHURTJHSUPAZNF-UHFFFAOYSA-N 258.409 4.537 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cccc2ccsc12 2274059307 BDPXCVOUIKAWBK-MRXNPFEDSA-N 270.397 4.518 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C1(C)CC1 2277378505 VDKKLTFSGAIXJQ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE SCCCCCCCN1CCCC[C@@H]1c1ccco1 2277500210 IEJMWFGLPAKVOU-OAHLLOKOSA-N 281.465 4.687 30 10 CJEE Cc1ccc(Cl)cc1C(=O)C#Cc1ccccc1Cl 2277777968 LVODOFAGIGVASF-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE CCCCCCSc1nc(C(C)(C)C)ccc1C#N 2278262037 YEOYIMXKUPMOKF-UHFFFAOYSA-N 276.449 4.923 30 10 CJEE CC[C@@H]1CCC[C@@H](CNc2cc(C)c(C#N)c(C)c2)C1 2280561959 ORTVRGOBFMVZRY-HZPDHXFCSA-N 270.420 4.803 30 10 CJEE CCCN[C@@H]1C[C@@H](CC=CC#CC(C)(C)C)CC[C@@H]1C 2284079495 BFFQNCKGXHUWFZ-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CCCN[C@@H]1CC[C@@H](CC=CC#CC(C)(C)C)[C@H]1CC 2284084395 QZNWTIQIRALDCO-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)C[C@@]1(C)COC 2284711122 PVZJKENJRSRRNN-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)CCCCC[C@H]1C[C@H]1C 2284957484 LJTMCXKVBMZKTF-XDNAFOTISA-N 283.500 4.642 30 10 CJEE Cc1cc2sccc2c([C@]2(C#N)CCCCC2(C)C)n1 2286143199 PFHPSXIDMOEBTQ-QGZVFWFLSA-N 284.428 4.966 30 10 CJEE C=C(C)CCCC[C@H](NC)C1C2CC3CC(C2)CC1C3 2287468474 VHKJSVSHLLHZFI-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1cc(F)cc(C#N)c1 2287916657 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C=CCC[C@](C)(C[C@H]1CCCC(C)(C)C1)OCCCN 2292574699 UNDVLRCNBITFBK-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCC[C@@H]1CC 2292642105 RKBHKFAMIKSPME-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@H](CCCC1CC1)OCCN 2292643157 XQTNZDWVVIFQJN-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCCN)C1(C)CC1 2292650815 VCIHNUQYZGSBAC-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCCCN)[C@H]1CC1(C)C 2292785106 RDILFAUPHCJCFX-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE Cc1cc(C)c(C=CC(=O)c2ccccc2)c(C)c1 2293038314 KPFVYLKSZJDQAE-UHFFFAOYSA-N 250.341 4.508 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1ncsc1C 2293473144 XGKKKNYDASZULE-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE CC1([C@H](O)C#Cc2ccccc2Cl)CCCCCCC1 2295210306 YUIXNTIJCCVKCW-QGZVFWFLSA-N 290.834 4.803 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@@H](CC(C)C)O1 2295675241 ZJEYCUHSEASAMH-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCC[C@@H](CC)CSC[C@@H](O)c1ccc(C#N)cc1 2295697267 PXUIRIGFHXXCCC-RHSMWYFYSA-N 291.460 4.541 30 10 CJEE CC[C@H](CC#N)C(=O)c1c(Cl)ccc(Cl)c1Cl 2301286459 DJSPMVXQASLHJM-SSDOTTSWSA-N 290.577 4.769 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(Br)ccc1C 2304054584 DJOSADOZCWBDQQ-HNNXBMFYSA-N 295.220 4.933 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(C)(C)C 2312083411 ADQYCFLUJUORQU-BZUAXINKSA-N 251.458 4.783 30 10 CJEE O=CC1(CC2CCCCCC2)C[C@@H]2CC[C@H](C1)S2 2316860358 HGOSEPLOVGEKJG-XYPWUTKMSA-N 266.450 4.590 30 10 CJEE CCC[C@H](OC[C@H](CS)C(C)C)c1ccccc1 2318101624 PSPJJYHXGKEVIJ-CVEARBPZSA-N 266.450 4.746 30 10 CJEE C=C(C)C[C@@H](C[C@@]1(C)CCCCC1(F)F)NCC 2319293228 NOBPMPKHIILQTB-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@H]1C(C)(C)C 2320133233 BGRAGBWSBXAHDY-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C(C)C)CCC1)NC 2321140853 KMNVHRMEEISNAV-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC[C@H](COCC2(CS)CC(C)(C)C2)C1 2321724289 QMGQJSITDFFIOX-KGLIPLIRSA-N 270.482 4.566 30 10 CJEE C=CCCCCCCCC=C1C[C@@H]2CC[C@H]1C[C@@H]2N 2334419354 AVABSAJJYBIROQ-BZSNNMDCSA-N 261.453 4.977 30 10 CJEE C=CCC(CC=C)SC[C@H](N)c1ccc(C)cc1C 2335096728 PXPDNPXFKSVANX-KRWDZBQOSA-N 275.461 4.557 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C)c2ccccc2[C@H]1NC 2335205827 GSALUCUMKHNFJM-DLTLXFJOSA-N 275.461 4.521 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@H](C)CC)cc1F 2335229933 SEXYUGHTKIARKV-CHWSQXEVSA-N 281.440 4.771 30 10 CJEE CCCCCCCC[C@@H](N)c1snnc1C1CCC1 2335703018 ZKOSFCYNBBTVPD-CYBMUJFWSA-N 281.469 4.556 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)c(F)c1 2337111139 ITOTWQBJCAYFSF-HWWQOWPSSA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H](C)CC(F)(F)F 2338732443 JFFXNECXLDQYCS-OCCSQVGLSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc(C(C)(C)C)c1 2338734090 XTTRKEGZQAEIQQ-KRWDZBQOSA-N 258.405 4.786 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1cc2c(s1)CCCCC2 2338741383 NGIGBPIYYISXHJ-QGZVFWFLSA-N 275.461 4.785 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1c(C)coc1CC 2338747974 VVEYBFCEOAACBQ-KRWDZBQOSA-N 261.409 4.569 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](C)CCCCNCCC 2340374041 UMZIRLBUJZRFCK-DLBZAZTESA-N 269.473 4.696 30 10 CJEE CCC[C@H](Oc1nc(Cl)c(C#N)s1)c1ccccc1 2340466221 JEUVUSRZYBLBLY-NSHDSACASA-N 292.791 4.588 30 10 CJEE Cc1ccc(C#N)cc1OCCCC1=CCCCC1 2341103000 JKFJLIGKRISUDT-UHFFFAOYSA-N 255.361 4.526 30 10 CJEE CC1(C)CC[C@H](C[C@]2(C#N)CCc3ccccc32)C1 2341734872 GQLZUKQYBFMTJV-KSSFIOAISA-N 253.389 4.611 30 10 CJEE C=C([C@H](C[C@H]1CC[C@H]1C1CC1)NCCC)[Si](C)(C)C 2342282368 WKSAGIJVJKFQPA-IKGGRYGDSA-N 279.544 4.615 30 10 CJEE CC(C)=C(C)C(=O)[C@@H](c1ccccc1)C1CCCC1 2342367912 MAKZNLORWICICH-KRWDZBQOSA-N 256.389 4.886 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cccc(C(F)F)c1 2344376440 QEDGRCMJNKOJIF-INIZCTEOSA-N 266.331 4.728 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(C)c(C)c1 2360202321 SDKXGULUBVGNIM-SFHVURJKSA-N 289.488 4.818 30 10 CJEE C=CCC(CC=C)Oc1nc(C(C)(C)C)nc(Cl)c1C 2360211257 IBTZENGNEGAKNK-UHFFFAOYSA-N 294.826 4.636 30 10 CJEE C=CCC(CC=C)S[C@@H](C(=O)OCC)c1ccccc1 2360323190 HOTUXZAKQMFPBC-MRXNPFEDSA-N 290.428 4.545 30 10 CJEE C=CCC(CC=C)Sc1ncccc1CN[C@@H](C)CC 2360378016 YGRDBPRIHSZLFE-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE CCCCOc1ccc(/N=C/c2ccsc2S)cc1 1956986 UIWNEDQJPZKABC-LFIBNONCSA-N 291.441 4.966 30 10 CJEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nc2c(N)cccc21 36285262 IUXVHKDMHXELGS-UHFFFAOYSA-N 297.789 4.515 30 10 CJEE CCCCC[C@H](C)Nc1ccc(Cl)c(C#N)c1 36972742 QBGRFEHDHKIFGM-NSHDSACASA-N 250.773 4.592 30 10 CJEE CC(C)(C)c1ccc(S[C@H]2CCC[C@@H]2C#N)cc1 37156520 FZLCRERGFQOEBJ-DOMZBBRYSA-N 259.418 4.768 30 10 CJEE CCC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccccc1 51634971 YUEFCAGFSJZNLJ-QGZVFWFLSA-N 268.335 4.651 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)[C@@H](CC#N)c1ccccc1 62014256 WHVMWGBWZOTODD-KDOFPFPSSA-N 298.817 4.988 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](SC2CCOCC2)C1 62054438 QYXANOLXGRRYBG-OFQRWUPVSA-N 295.492 4.643 30 10 CJEE COc1ccc([C@H]2CCCCC[C@H]2C#N)cc1Cl 62661315 HBUVABXJIWYIBP-QWHCGFSZSA-N 263.768 4.536 30 10 CJEE C=CCSc1ccccc1N[C@H](C)Cc1ccco1 62771738 GZZARRMZVQUPRN-CYBMUJFWSA-N 273.401 4.601 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)cc1Cl)c1ccccc1 80748399 KBVACHPPXQBASM-LBPRGKRZSA-N 291.181 4.713 30 10 CJEE CCCCCC[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 86037097 GVBQZPXANLWCDR-IPJUCJBFSA-N 284.447 4.559 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86899877 FVTOQPQCBFLIDH-ZDUSSCGKSA-N 276.811 4.982 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 88301528 KPCILVAAMIVLCN-QWRGUYRKSA-N 284.325 4.814 30 10 CJEE C[C@@H](CCS)CCSc1nc2ccccc2s1 94588974 JNVXRSXLYBRARE-JTQLQIEISA-N 283.487 4.735 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc2cccnc12 97419494 MTQPYNICXNDIDU-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCN(c1ccc(C)cc1)c1cc(Cl)ccc1C#N 104018955 BWTVEKOESWERDO-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE Cc1cccc(CC[C@H](C)Nc2ccc(Cl)c(C#N)c2)c1 109807065 VBTPIZYZQFALPQ-AWEZNQCLSA-N 298.817 4.953 30 10 CJEE CCCCCCCCOCc1ccc(NC)c([N+](=O)[O-])c1 110100147 OGJHVDJERDSYSB-UHFFFAOYSA-N 294.395 4.514 30 10 CJEE CCCCCCCOCc1cc(CNC(C)(C)C)c(C)o1 110170294 CGJHGYXTZXHLTP-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE Cc1ccc(Nc2nc3c(cc2C#N)CCCC3)cc1Cl 110250857 YGZKREBUKNHSRX-UHFFFAOYSA-N 297.789 4.538 30 10 CJEE N#Cc1ccc(N2CCC3(CCCCC3)CC2)c(Cl)c1 110258317 TUTPERFENNBSCW-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCCO1)NCC 110462896 OOZIRCWRCCDMFF-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCN1C[C@@H](CC)NC[C@@H]1C1CCCCC1 114062050 UZLZRGFRHBEUMS-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(F)cc1F)NC 114782934 YUIIUBNBKYFMKQ-MRXNPFEDSA-N 283.406 4.846 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CCCOC1 115762306 ATTZTUJBMDGTAG-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1ccccc1C 115858009 BOMWWZKCQJRZJM-QGZVFWFLSA-N 271.404 4.922 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(CC)N1CCCC1 118158673 XTAXKWFHRWYTRP-SFHVURJKSA-N 281.484 4.961 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc2c(c1)CCC2 123608937 NGWUMPOLXBAVTE-IBGZPJMESA-N 274.448 4.829 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1COc2ccccc21 124473321 YKUGECLZRHCBHV-DLBZAZTESA-N 276.420 4.664 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(Cl)s1 125864166 QSGSTRJYRWRAJP-NSHDSACASA-N 259.846 4.632 30 10 CJEE CCCCCCCCCCN1CCCN[C@@H](CC)CC1 129454933 DJJOPKUDRCSIRP-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](OC)C1CC1 129460766 PDADXEQWAJHDCR-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCC[C@@H](N)C1 131792299 IYUNULJLJMWFIX-MSOLQXFVSA-N 283.500 4.930 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc2ccccc2c1 134012647 IHFZTUBDANJDMK-IBGZPJMESA-N 265.400 4.684 30 10 CJEE C=C(CNc1cccc(C(C)C)c1)c1ccccc1 134357960 KVJKYHNJLHHPCO-UHFFFAOYSA-N 251.373 4.935 30 10 CJEE C[C@H](NCc1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1 149718952 FSSJNHSKKRKHCT-ZDUSSCGKSA-N 298.455 4.768 30 10 CJEE CCCCCCCCCc1nc2ccc(C(=O)O)cc2o1 156862963 KYDZGDHHKWMPKG-UHFFFAOYSA-N 289.375 4.819 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(OC(C)C)c1 158054499 XLXRUPBRQNFYDF-QGZVFWFLSA-N 263.425 4.834 30 10 CJEE C=C(C)CC[C@H](O)C(c1ccccc1)c1ccccc1 164485147 YYNUHYKQPMPOSO-SFHVURJKSA-N 266.384 4.536 30 10 CJEE CCCCCCCC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 164715605 CCYVLMWDMKYJSE-WDSOQIARSA-N 270.416 4.892 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)c(F)cc1F 167678595 XLCISCXTBKNZDA-INIZCTEOSA-N 267.363 4.670 30 10 CJEE CCCCCCCC[C@]1(CNCCC)CCCOC1 203409258 QAWFPDSYTGWXNU-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCCC[C@@H]2C(C)C)CC1 214817027 DYDKAEZVYQMTAU-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 226732899 GJDSZJARUHOUBI-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C#N)c(Br)c1 228187948 OHEUFJKECPMKRR-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C#CCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 229644477 GFROWELBHCMELC-JTQLQIEISA-N 288.193 4.587 30 10 CJEE C=CCCCCCC(=O)c1cccc2cccnc12 232566968 HEOLBZWTEQVKNU-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCCCCCCC[C@H]1CNc2c(OC)cccc21 232929328 RRBDTBYMYCNBCG-AWEZNQCLSA-N 261.409 4.955 30 10 CJEE C=CCN(c1ccc([C@@H](CC)NCCC)cc1)C(C)C 233163870 WWKZIWQMTJBLOX-GOSISDBHSA-N 274.452 4.538 30 10 CJEE CCN(CCCCC(C)(C)C#N)c1ccccc1C 233444360 ZINXMJBCZPGIQT-UHFFFAOYSA-N 258.409 4.541 30 10 CJEE Cc1cc(F)c(Nc2cccc(Cl)c2C#N)cc1F 235916614 FRXRWDUEZFURRE-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE O=C(C1=CCCCC1)c1ccc(Cl)cc1Br 236055420 DDUCFAZMFSCRQB-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE CCCCCCCCCCN1C[C@](C)(CC)NC[C@H]1CC 250827526 OKHRAEKLAJLOFU-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252180885 QACOLCUZFZETFJ-MDMSPXHWSA-N 290.495 4.851 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 309897639 OCVSEQAWMLILCC-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CC1CCC(C=O)(C[C@H](C)C2CCCCC2)CC1 317170971 ONXIQSUZHGWECV-CKDBGZEDSA-N 250.426 4.988 30 10 CJEE C=C(CC)C[C@@]1(CNCCC)CCCc2ccccc21 317534558 ZZBIFDWVAXNHOI-LJQANCHMSA-N 271.448 4.617 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCCS1 317611784 DHXULFRRLMYHEN-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCSC)C1 320015049 VRHLXWZRPJRZJZ-MJBXVCDLSA-N 285.522 4.827 30 10 CJEE C#C[C@@H](N[C@H](CCC)c1cccs1)c1ccccc1 378746291 OPMSPYLTAKQXRQ-HZPDHXFCSA-N 269.413 4.553 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2ccc(Cl)cc2Cl)O1 384071635 ZYDPUHYZEUNPNJ-GXFFZTMASA-N 270.159 4.517 30 10 CJEE C=CCCCCCCN[C@@H]1CCC[C@H](C(C)C)C1 384960322 IDAFOGXVXKVPOM-DLBZAZTESA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CNc1ccnc2cc(Cl)ccc12 385220334 RMTVGSMWWWTNMS-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE C=C([C@H](NCCC)c1ccc(Cl)c(C)c1)C(F)(F)F 388467930 DVAHFHZYUPXXGT-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc(OCC(C)C)cc1 393809538 ZEGMIADSJHITCY-RDJZCZTQSA-N 275.436 4.727 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)[C@H]2CCCC[C@H]2C)CC1 394857142 OJKFFPNCCGOVKS-NGPICZKLSA-N 277.452 4.530 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1ccccc1Br 397514424 RETLKQGHMBKUPZ-JTQLQIEISA-N 298.249 4.727 30 10 CJEE C=CCCC[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F 398088689 OTLJHXKPNUAHDT-ZETCQYMHSA-N 279.252 4.539 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 398170700 LHEYGZUKHXACMX-WBMJQRKESA-N 263.812 4.662 30 10 CJEE CC(C)(C)[C@H](CS)CSc1nccc2ccccc12 401508589 LAHBWNQXZZZKJY-CYBMUJFWSA-N 291.485 4.919 30 10 CJEE CC[C@H](CNc1ccc(C#N)cc1Cl)CC(F)(F)F 402542499 DVRZCUNLGNMBBK-VIFPVBQESA-N 290.716 4.602 30 10 CJEE CCC[C@@H](CS)CO[C@H](CC)c1ccccc1 403309843 UAYTWGKSLCZAGH-UKRRQHHQSA-N 252.423 4.500 30 10 CJEE CC(C)(CC[C@@]1(C#N)CCc2ccccc2C1)C1CC1 405979565 ZCYKHMMQTQWWRO-IBGZPJMESA-N 267.416 4.902 30 10 CJEE CCc1cc(C(F)F)c(C(F)(F)F)cc1OC(F)F 575653592 HPEHJSNLKWJBHA-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE C#CCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 686678999 WBBDLSWJOPILMX-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE C#CCCCCC[C@H](N)c1ccc(C(C)(C)C)cc1 686699203 AVKJVGXPIFUPLL-KRWDZBQOSA-N 257.421 4.568 30 10 CJEE C=CCC1(NCc2cc(Cl)ccc2Cl)CCCC1 690758378 QMGQCVHLBWUZLF-UHFFFAOYSA-N 284.230 4.972 30 10 CJEE CC(C)[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1 691051590 YUUNZALZMTWSQZ-SJORKVTESA-N 256.393 4.575 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)CC1(CS)CCCCC1 691140452 KFTMEARHKZCWON-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE Cc1nc(C)c(CC2(C#N)CCC(C(C)C)CC2)s1 691207897 CHAQJSYMRNQBTD-UHFFFAOYSA-N 276.449 4.659 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@@H]1CCC12CCCCC2 694276610 GSPNCZYEKORSQZ-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccccc1Cl 703995014 AXZZGRJVXVISHD-CYBMUJFWSA-N 265.828 4.983 30 10 CJEE C=CCSc1ccc(F)c(Cl)c1CNC(C)(C)C 705736569 IQEBMBGUBQLPFE-UHFFFAOYSA-N 287.831 4.645 30 10 CJEE C[C@@H]1C[C@@H](N(C)CCCCC(C)(C)C#N)CC(C)(C)C1 708766917 ZYWRVJVCMLRQSW-HZPDHXFCSA-N 278.484 4.853 30 10 CJEE CCCCCCCC[C@](C)(O)COc1ccccc1 711006956 DMOKMRGIJAVVQK-KRWDZBQOSA-N 264.409 4.567 30 10 CJEE C=CCCC(C)(C)CNc1nc(C)ccc1Br 712535407 YSPDFTYWJNUWPW-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)C1(c2ccccc2)CCCCC1 715747288 GLKQQFHPHRUNNO-SJLPKXTDSA-N 271.448 4.689 30 10 CJEE C=CC[C@H](C)C1(CNCC(C)C)CCC(C)CC1 715785961 CNLHVNHIJFMYPB-CGZBRXJRSA-N 251.458 4.641 30 10 CJEE C=CC[C@H](C)[C@H](CSc1ccccc1Cl)NCC 715795916 DTKKDTXFSIUMHX-JSGCOSHPSA-N 283.868 4.622 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1CCC2(CCC2)O1 716873057 NYXNHHZCUGZSQS-CVEARBPZSA-N 267.457 4.556 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H](C)COCc1ccccc1 719466292 PBJPPLUMVFGSSB-IEBWSBKVSA-N 292.463 4.951 30 10 CJEE C=C1CCC(C[C@@](C)(CC)CNC(C)(C)C)CC1 724611092 QDTNFNGFPQQXPR-QGZVFWFLSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@H](NC)C2CCC3(CC2)CC3)CC1 724618425 OTNLNSKRJIXBLO-KRWDZBQOSA-N 261.453 4.681 30 10 CJEE N#CCc1c(OC(F)(F)F)c(Cl)cc2sccc12 725286894 RDFSQIBVEUSBHA-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=CCCC[C@H](NCc1ncc(C(C)C)o1)c1ccccc1 880387790 DHHAGOQGURPLIG-KRWDZBQOSA-N 298.430 4.985 30 10 CJEE C#CCCCCCCSc1nc2c(cc1C#N)CCCC2 1165463869 QCCZEBLMTUBDEE-UHFFFAOYSA-N 298.455 4.508 30 10 CJEE CCN(CCC1(C#N)CCCCC1)c1cccc(C)c1F 1175568784 FHISAYHFIAZVBG-UHFFFAOYSA-N 288.410 4.825 30 10 CJEE C#Cc1cccc(NCc2ccc(F)c(Cl)c2Cl)c1 1178310900 NUDYMPXOLCLQBF-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C=C(C)c1cccc(NCc2c(F)cccc2F)c1 1203961026 NLTIOKZJBFLIHW-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(OC(F)F)cc1F 1205526663 CZXOVRKNYILTDR-LLVKDONJSA-N 287.325 4.974 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCCC[C@H]1[C@H](C)CC 1248434640 HLDLKQBJMKKNIX-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C=C1CCC(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)CC1 1266501339 UQEYWBVHLNPADA-GOSISDBHSA-N 297.442 4.737 30 10 CJEE C=CC[C@@H](C)NC/C(C)=C\c1ccccc1C(F)(F)F 1308270740 NQTURBIJKDJZQV-KXXVWKPMSA-N 283.337 4.663 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 1311299689 VXACIZSUVWUVQP-QZTJIDSGSA-N 298.430 4.810 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1ccccc1)C(CC)CC 1353905551 JVEMNSBCOBFFJN-SFHVURJKSA-N 287.447 4.882 30 10 CJEE C=C(C)c1cccc(NC(=O)C(C)(C)c2ccc(C)cc2)c1 1439933812 YZWMIKCIGWLGBO-UHFFFAOYSA-N 293.410 4.944 30 10 CJEE C=CCC[C@@H](C(=O)N1CCCCC[C@@H]1C)c1ccccc1 1459190178 YJLHZIUDNLEUGI-FUHWJXTLSA-N 285.431 4.528 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1459324564 HBAUFUGQMDBRSS-KBXCAEBGSA-N 285.431 4.516 30 10 CJEE C=CCCC[C@H](C)NC(=O)N(CC=C)CC1CCCCC1 1469534572 XKPNKZQDUGKQEQ-INIZCTEOSA-N 292.467 4.509 30 10 CJEE C=CC1(CC(=O)N2CCC[C@H](C/C=C/C)C2)CCCCC1 1470788261 UGOOBSWIZTWDTB-RCFWFJCLSA-N 289.463 4.718 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCSc3c(F)cccc32)C1 1473928173 GJAVFSRDOYGMSV-WWGRRREGSA-N 291.435 4.697 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@H](C)CC(C)C 1521555606 FOHXDFCNELDAKX-MRXNPFEDSA-N 279.468 4.654 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(Cl)c(SC)c2)CC1 1528604666 NGZZOTVEBXOZDP-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C=CC1(CC(=O)NCCCCCCC)CCCCC1 1529626679 XGOLEEQZDUFLAF-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C#CC[C@@H]1CCCN(C(=O)[C@@H](C)CCCCCCCC)C1 1529683851 LSGCPTSWXZAWLO-ZWKOTPCHSA-N 291.479 4.635 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@](C)(F)CCCC)c1 1539557888 IXULLAJOPSKLPZ-INIZCTEOSA-N 263.356 4.577 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(C)cc(OC)c1C 1560963481 SIAMCXZDJIEHAQ-OAHLLOKOSA-N 261.409 4.859 30 10 CJEE C=C(C)CCC(=O)N(C(C)C)[C@H](CC)c1ccccc1 1618605511 WDMGHBQZIRQAGZ-QGZVFWFLSA-N 273.420 4.731 30 10 CJEE C=CCCCN(CC)CCCOc1ccc2ccccc2c1 1620646494 BVNUMVFPAACCAV-UHFFFAOYSA-N 297.442 4.897 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H]1CCCc2ccc(Cl)cc21 1623751301 COMONVWGDTUXGN-HNNXBMFYSA-N 292.806 4.863 30 10 CJEE C=CCCCCCCNCc1c(Cl)cncc1Cl 1651060691 GYLSDGKZTVQDKY-UHFFFAOYSA-N 287.234 4.615 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 1652855273 HCBBHGMIEWNAJH-HZPDHXFCSA-N 287.447 4.797 30 10 CJEE C=CCCCCCOc1c(F)cc([N+](=O)[O-])cc1Cl 1656937845 ICJKXVKKZKRVGG-UHFFFAOYSA-N 287.718 4.513 30 10 CJEE C=CCCCCCCCNCc1cccc2cccnc12 1658064959 KEVASNNXNREOIV-UHFFFAOYSA-N 282.431 4.851 30 10 CJEE C#C[C@@H](N[C@H](C)CCCCCC=C)c1ccc(F)cc1 1658186501 RMOBKBXNXLDLIM-CRAIPNDOSA-N 273.395 4.615 30 10 CJEE C#C[C@@H](NC1CCC(C(C)C)CC1)c1ccc(Cl)cc1 1659355076 KDSDNIFWTJILTK-IUPXNIOVSA-N 289.850 4.819 30 10 CJEE C=C(C)c1cccc(N[C@H]2CCC[C@H](SC)C2)c1 1660850386 RNMVTPQLTUZQBB-HOTGVXAUSA-N 261.434 4.806 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cc(C)ccc1C 1667683619 LXPLBPKFTNMGCE-UHFFFAOYSA-N 288.435 4.952 30 10 CJEE C=CCC[C@@H](C)[S@@](=N)(=O)c1ccc2ccccc2c1 1879723744 SQUHSNXSRWVFJD-BFUOFWGJSA-N 273.401 4.600 30 10 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CJEE C=CCCCCCC[C@H](O)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228465755 AHOXSCWLZBOYNB-YVSFHVDLSA-N 282.493 4.653 30 10 CJEE C=CCCC[C@@H](C)NCC1(C)CC2(CC(F)(F)C2)C1 2230576923 BPYWHFWHSATJRG-CYBMUJFWSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCCCOCCCCNCC 2231014101 KENRWFAQFPQJHE-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCCCCCOc1csc(CNC)c1 2231038190 RSQDKZDLZDMVAM-UHFFFAOYSA-N 283.481 4.987 30 10 CJEE CCCCCCCCCCCO[C@H](C)[C@H](CC)NC 2231081666 XMMGZAHBBPYAHW-SJORKVTESA-N 271.489 4.920 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H](C)c1ccc(C)cc1 2232077176 PRHAEARAYOKQQR-SJLPKXTDSA-N 259.437 4.823 30 10 CJEE O=C(CC#CC1CCCCC1)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233627354 CVMPYXNYWNHBQL-BCDXTJNWSA-N 272.432 4.746 30 10 CJEE C=C(CC)C[C@@H](NCC)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233636209 CSGSPUKVKQKBAS-WTXIUTQJSA-N 285.422 4.782 30 10 CJEE C=CCCCCC[C@H](N)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233648473 MNISBZWBIVKAFV-UYTSQGDYSA-N 285.422 4.912 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233783914 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294.645 4.520 30 10 CJEE CC(C)=CCC[C@H](C)CCOCCC#CBr 2243950481 MHXGJRBTTKHIMS-AWEZNQCLSA-N 287.241 4.522 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@H]2CC2(C)C)C1 2254055230 ZIWAPGBENRFQDK-TUVASFSCSA-N 265.466 4.874 30 10 CJEE CCCCCCCCNCC[C@@H]1CCCC12CC2 2255237900 QLFARFLQFUNMKG-INIZCTEOSA-N 251.458 4.907 30 10 CJEE CCc1cc(Cl)ccc1C(=O)C=C1CCCCC1 2256524457 IYQABMJUQOZZTK-UHFFFAOYSA-N 262.780 4.976 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CCC1CCC1 2257948849 HPEXNZQPKXUEML-SFHVURJKSA-N 271.470 4.750 30 10 CJEE C=C[C@H](C)CCN[C@@H](C)C1CCC(CCC)CC1 2260226190 LNTJOIMSQFAZHY-JUVOFCAFSA-N 251.458 4.783 30 10 CJEE C=C[C@H](C)CCNCC1CCC(C(C)(C)C)CC1 2260240145 IDPCWZAIAHXQRB-FHERZECASA-N 251.458 4.641 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2ccsc2c1 2263905642 CVNGMOSATMXAGO-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@@]2(C#N)CCOC(C)(C)C2)C1 2265060998 NKNZFSJMGTWJKX-HLLBOEOZSA-N 263.425 4.692 30 10 CJEE C=CCC(C)(C)Oc1sc(CNC(C)C)c(C)c1C 2265924238 SBLQLAXFZBRHNC-UHFFFAOYSA-N 281.465 4.596 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4.728 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@]1(C)CCCN1C 2295677863 WBRHCBBFZNHXQM-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CCC(CC=C)Nc1ccc(Br)cc1CC 2301009691 MHALTAPBXGKTJG-UHFFFAOYSA-N 294.236 4.944 30 10 CJEE C=CCCC[C@H](NC)c1cc(Cl)c(C(F)F)s1 2304581616 BBUOOQSMFJFOLO-VIFPVBQESA-N 279.783 4.956 30 10 CJEE CC(C)CCCCOC[C@](C)(CS)C(C)(C)C 2307104183 RZEXWKTUCYAAEM-OAHLLOKOSA-N 260.487 4.812 30 10 CJEE CCC[C@@H](CC)COc1ccc(C#N)c(Br)c1 2307749070 GOXHPWKERDTPID-LLVKDONJSA-N 296.208 4.526 30 10 CJEE C=CCC(CC=C)NCC[C@H](C)CCCC(C)C 2313528876 ILXUQWSAQDKPQI-MRXNPFEDSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)SCCN[C@H](C)c1cccs1 2313686912 RCULLAKEROQISR-CYBMUJFWSA-N 281.490 4.653 30 10 CJEE C=CC[C@H](C)S[C@@H](C)C(=O)c1cc(C)ccc1C 2313699231 QSRBMDLYHBETAX-KBPBESRZSA-N 262.418 4.572 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1c(F)ccc(C)c1Cl 2313993983 ONMCOISVVWDJEW-GXFFZTMASA-N 269.791 4.650 30 10 CJEE Cc1c(C(=O)[C@H](C#N)CC(C)C)ccc(Cl)c1Cl 2316984383 QVTKAYILRSEOGU-JTQLQIEISA-N 284.186 4.670 30 10 CJEE CCCCCCCO[C@H](C)CCCCNCCC 2318025740 LZFSLESNMUKOME-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCCON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2318633652 KWCAWMAVEYZRGU-UHFFFAOYSA-N 271.404 4.691 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1ccc2ccsc2c1 2321113735 QVJOIUOCRFXBRZ-HZPDHXFCSA-N 259.418 4.894 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2325208111 UBDUKWYAYCYMRR-YMTOWFKASA-N 290.209 4.995 30 10 CJEE CCC(=NOCc1cccc(F)c1)c1ccc2c(c1)CCC2 2330277394 FSLCLTDVTRCZKC-UHFFFAOYSA-N 297.373 4.645 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCC1 2332703042 VHLOJFOOVVCANE-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2C[C@@H]21 2333365212 FURXHXGJDQMHRZ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](NC)CC(C)(C)C1(C)C 2335096404 MKXQZXXEWDUAJK-HUUCEWRRSA-N 281.509 4.653 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@H](CCC)CC1 2338792523 KBSYJWXSQANAOI-ROUUACIJSA-N 263.469 4.909 30 10 CJEE C#CC[C@H](C[C@@H](N)c1ccc(Cl)c(Cl)c1C)C1CC1 2339013139 HMDCUFIVBDTDRJ-IUODEOHRSA-N 296.241 4.741 30 10 CJEE CCc1ccc(C#N)c(N(C)c2ccc(Cl)cc2)c1 2339124650 PFSAKYYGHKJCRJ-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1cc(C)cc(C)c1C 2344371096 HTKFTBBDFHIYGE-SFHVURJKSA-N 258.405 4.716 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)CC[C@H](C)C1 2351911760 HMAHLZQAXBELAF-GOEBONIOSA-N 284.465 4.890 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCc2ccccc2C1 2359360520 GWPBHMIYUNPVQF-IWKCEXAMSA-N 265.400 4.512 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)c(OC)c(Cl)c1 2360218286 BPFUPDUCTOYJPR-WBMJQRKESA-N 295.854 4.910 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@H](N)c1ccc(CC)cc1 2360335647 COGYZVQLGAWFHZ-KSSFIOAISA-N 289.488 4.891 30 10 CJEE C/C(=C/c1ccccn1)C(=O)c1c(C)c(C)c(C)c(C)c1C 12366880 IUUXCTFXLJHBAV-QXMHVHEDSA-N 293.410 4.910 30 10 CJEE C=Cc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 13121681 YQLKZQZPZDXNFB-DEDYPNTBSA-N 273.335 4.939 30 10 CJEE N#Cc1cnc2ccccc2c1Sc1cc(F)ccc1F 36913517 UFFNFRAEYPIKCW-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE CCC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1 49541761 JCEFKQIXGXTPET-BBRMVZONSA-N 284.428 4.812 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(Br)s1 50325454 YCDOSNDYXGTFCI-UHFFFAOYSA-N 285.206 4.584 30 10 CJEE CCCCCCCNc1ccc(NC(=O)OCC)cc1 59446012 OMAFRIISCLXHOF-UHFFFAOYSA-N 278.396 4.637 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)c1cccc(C)c1 73158355 TZGHHPOQIMXMIQ-GOSISDBHSA-N 276.420 4.738 30 10 CJEE CC1CCC(C#N)(Cc2cccc(C(F)(F)F)c2)CC1 87930628 MMBBBARWFDRURA-UHFFFAOYSA-N 281.321 4.968 30 10 CJEE CC(C)N(Cc1ccccc1)C[C@H](CS)c1ccccc1 94578628 TWDBUFHXHQYHIN-LJQANCHMSA-N 299.483 4.611 30 10 CJEE CCCC(CS)(CCC)CN(CC)C[C@H](C)CC 94582032 RGFHPTPJNBIUGE-OAHLLOKOSA-N 273.530 4.871 30 10 CJEE CCC[C@@H](CS)COc1ccc(C(C)(C)C)cc1 94582793 KEJOUFNZGHONRO-CYBMUJFWSA-N 266.450 4.709 30 10 CJEE Cc1ccccc1CSC[C@H](CS)c1ccccc1 94589565 SNXDPZICMVDSKY-KRWDZBQOSA-N 288.481 4.942 30 10 CJEE CC(C)CC1(CN[C@@H](C)c2cccc(C#N)c2)CCCC1 94873617 LIOWIAWHSGCTRL-INIZCTEOSA-N 284.447 4.815 30 10 CJEE CCCCCCCSCc1cccc(C(=O)O)c1 104723808 PDPPLVONBVEELI-UHFFFAOYSA-N 266.406 4.588 30 10 CJEE CCC#C[C@@H](C)Cc1cc(C)c(C)cc1Br 107479840 CTJWQECQVUWXQL-LLVKDONJSA-N 279.221 4.658 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OC)c(C(C)(C)C)c1 107613134 XYVGPEVTEBEILT-AWEZNQCLSA-N 258.405 4.585 30 10 CJEE CCCCCCC[C@@H](C)NCCCN(C)C1CCCCC1 109916649 JRXJNBMVCOSGQS-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(F)c(C#N)c1 109947720 XKNBJWPXQLKGET-GOEBONIOSA-N 274.383 4.714 30 10 CJEE CCCCCCCO[C@H](CC)[C@@H](CCC)NCC 110081377 NHSFETMUWIBEPQ-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCCNCCN(C)C1CC1 110169584 GORZOBTUSGJODP-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE N#Cc1ccccc1Nc1ccc(-c2ccccc2)cc1 110257965 LIMIIZDLEJYNRI-UHFFFAOYSA-N 270.335 4.969 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N(CC)c2cccc(C)c2)C1 110263398 JUPXTMQPGQVWEY-LZLYRXPVSA-N 270.420 4.540 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1CC 114066863 OKHRAEKLAJLOFU-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1Cc2ccccc21 115556282 CQPLCTXHNNFKAB-QZTJIDSGSA-N 259.437 4.665 30 10 CJEE CCCCCCCOc1ccc(C)nc1CNC(C)(C)C 118334308 SZCDCPUVQKEWCT-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccccc1 125542174 DHLQDZRHLVWBJA-KRWDZBQOSA-N 262.441 4.722 30 10 CJEE Cc1cc(N2CCC[C@@H](C(C)(C)C)CC2)ccc1C#N 126896987 GMSRVOSKCQCWJI-MRXNPFEDSA-N 270.420 4.519 30 10 CJEE C=CCOc1cccc(CNc2cccc([C@H](C)OC)c2)c1 128851750 ASNVAIGBDOARLP-HNNXBMFYSA-N 297.398 4.571 30 10 CJEE CCCCCCCCCCN[C@@H](CC)CSC 132679323 OKDQDFJUZLEPHY-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCOc1cccc(OCCC)c1N 135159239 ULEFJRGFSQURIN-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCCC[C@@H](N)C1(OCC)CCCC1 164686100 QFWBXGGXTXFJBS-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@@H](Cc1ccncc1Cl)NC 166932413 VVODAXLDSCPSNU-HNNXBMFYSA-N 282.859 4.616 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1Cl 169126201 OWNJRXVMCHRTRY-ZJUUUORDSA-N 258.192 4.609 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(N)c(Cl)c1 211246937 LASXDLUEGUREQQ-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE C#C[C@H](CCC)N[C@@H]1CCCC[C@@H]1C1CCCCC1 229908388 UWYKPBNPZDGMFJ-KZNAEPCWSA-N 261.453 4.517 30 10 CJEE CCCCCCCC[C@@H](CC1CC(OCC)C1)NCC 232178469 DFQVNPLCHFIRIQ-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CC(C)CCCCCCNc1nccc(C#N)c1Cl 232543443 YPASMBQLZBWDPZ-UHFFFAOYSA-N 279.815 4.625 30 10 CJEE CCCCc1ccc(Nc2nccc(C#N)c2Cl)cc1 233025347 OZJVNJUCNQYNGM-UHFFFAOYSA-N 285.778 4.693 30 10 CJEE C=CCCCCC[C@H](CCC(F)(F)F)NCCC 233163387 AIIARPISPLWJGY-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE C=CCCCCCOc1c(Cl)cc(Cl)cc1C=O 236038545 XIFZCGWPDQCALX-UHFFFAOYSA-N 287.186 4.931 30 10 CJEE CC(C)c1cc(C(F)F)c(O)c(C(C)(C)CC#N)c1 260047878 CQFYSCHURBHNTI-UHFFFAOYSA-N 267.319 4.644 30 10 CJEE N#CC1(CC#Cc2ccccc2)CCCCCCC1 311354279 ADNFTLCUOXJHGQ-UHFFFAOYSA-N 251.373 4.682 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(OCc2ccccc2)cc1 313505545 OWGOJORTLOKPDV-QGZVFWFLSA-N 295.426 4.882 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCCCc2ccccc2)C1 316716797 DZEMNJJCDHGUCV-WMZOPIPTSA-N 258.405 4.795 30 10 CJEE CCCCCCCCCC[C@]1(C=O)CCCOC1 317126327 HVQGONWFSOIGTB-MRXNPFEDSA-N 254.414 4.513 30 10 CJEE C=C(CC)CC1(CNC)CCC(C(C)(C)C)CC1 317220008 QAUAFIVILFAVFD-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1(C)CCCCC1 382133205 YEOCNKFHVCWRKK-INIZCTEOSA-N 263.469 4.765 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@H]1CCC[C@H](CC)C1 382141749 CVMPWLNSSZOXDQ-YESZJQIVSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1ccsn1 382480376 ICDSHCOBDIRPEG-CQSZACIVSA-N 283.485 4.568 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(F)cc1Cl 384886695 SGXGKGMWFJFWRM-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE C=CC(C)(C)CN[C@@H](CC)c1cccc(Cl)c1 385038522 MYZZKRDEELTDHA-AWEZNQCLSA-N 251.801 4.593 30 10 CJEE C=CCCCCCCN[C@H](CCC)[C@H]1CC1(C)C 397624250 MBJRVSMIGWHHEB-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC[C@H](OCc1ccc(C#N)cc1Cl)c1ccccc1 403204600 NWFSCBPWRVMXAY-KRWDZBQOSA-N 285.774 4.880 30 10 CJEE C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 485704416 KKZWDZMYOTUZQZ-YNEHKIRRSA-N 274.433 4.548 30 10 CJEE CO[C@@H](CSCCCCC(C)(C)C#N)C1CCCC1 596401097 JQNVFXGGGZMTIC-HNNXBMFYSA-N 283.481 4.645 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(C(C)C)cc1 686683047 YNBNVKLTKBPICB-SFHVURJKSA-N 257.421 4.654 30 10 CJEE C#CCCCCC[C@@H](Cc1cccc(Cl)c1)NCCC 686696645 AASXSNRGIZITDN-SFHVURJKSA-N 291.866 4.834 30 10 CJEE CC[C@@H]1CC[C@](O)(C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688336354 CWPAHHFSDAJNSB-RDTXWAMCSA-N 277.452 4.674 30 10 CJEE N#C[C@H](CNc1cccc(C2CCC2)c1)C1CCCC1 690162374 MDZPESYACHETKU-QGZVFWFLSA-N 268.404 4.696 30 10 CJEE Cc1ccc(C#N)c(NCc2cccc(Cl)c2Cl)c1 693657715 SSLGTZBXEJRCLG-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)[C@H]1CC12CC2 698106812 ARRCPRJKYDARRZ-IAGOWNOFSA-N 280.500 4.929 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@H](C(C)C)CC1 701854647 AKYQMHAIOSAUQA-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(O)[C@@]1(C#N)CCCC[C@@H]1C 709147314 ZLXZTPPLBGZLDC-WNRNVDISSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCSc2ccccc21 709358910 ZTXAPGAYXMESEQ-DJIMGWMZSA-N 287.472 4.948 30 10 CJEE C=C(Cl)C[C@@H](NC)C1(c2ccccc2)CCCCC1 710589324 GTNUUUGONLOYRZ-MRXNPFEDSA-N 277.839 4.619 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)[C@@H]1CCCCO1 711907257 IVSVYJNZFMUYAT-WBVHZDCISA-N 268.441 4.901 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1csnc1OC 712856478 UXFUXEWUCSAIEW-OAHLLOKOSA-N 298.496 4.943 30 10 CJEE C[C@@H]1CCCC[C@H]1/N=C1/NC2(CCCCCCC2)CS1 713203582 UMAWQTNTBWELPW-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE CC(F)(F)CCC[C@]1(C#N)CCCc2ccccc21 718636057 MBFVXVBSKXOIEM-INIZCTEOSA-N 263.331 4.610 30 10 CJEE C=CCN(c1c(Cl)cccc1CNC(C)(C)C)C(C)C 723149682 OLQBZQIXGRKXAQ-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE CCc1cc(SC(F)(F)F)c(C#N)c2sccc12 725292231 SLKIGJWQQXWUNO-UHFFFAOYSA-N 287.331 4.947 30 10 CJEE Fc1cccc(C#Cc2cccc(Cl)c2Cl)c1 725404206 HRFCMTQICLVCNN-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=C[C@@H](CC(=O)N1CCCC(CC)(CC)C1)c1ccccc1 1147335615 DLRJDLAEINUXJF-KRWDZBQOSA-N 299.458 4.775 30 10 CJEE C=C(C)[C@@H](NCCC1CCCC1)c1ccc(F)c(F)c1 1169471767 AXBWWNJDTANZSS-QGZVFWFLSA-N 279.374 4.752 30 10 CJEE C=CC[C@H](C)N[C@](C)(Cc1ccc(Cl)cc1)C(C)C 1170582205 NFNOOFJBEZSADM-WMLDXEAASA-N 279.855 4.851 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H]2CCCC[C@@H]2C2CCCCC2)CC1 1183641601 DCCFAMCUVPQFLQ-AFYVEPGGSA-N 287.491 4.907 30 10 CJEE C=C(C)c1cccc(N[C@H](C)[C@H]2COc3ccccc3C2)c1 1207741441 HCPUOHYSHHZYTD-CRAIPNDOSA-N 293.410 4.771 30 10 CJEE C=CCn1c(S[C@@H]2CCC(C)(C)C2)nc2ccccc21 1307247256 LFZLBWPSWPOVDL-CYBMUJFWSA-N 286.444 4.893 30 10 CJEE C#Cc1ccc(N[C@H](C)CCc2ccc(Cl)s2)cc1 1308973520 FCZDCWGEZLEXOV-GFCCVEGCSA-N 289.831 4.816 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](C)CCC(C)(C)C 1353118437 XLNDUTPGPIAKGV-INIZCTEOSA-N 287.447 4.664 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 1354112496 YIZZWQVJCDDQLO-MRXNPFEDSA-N 299.801 4.947 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1435157833 XPUNCQVZFGXIFP-ISTRZQFTSA-N 291.822 4.510 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(CC)c(C)c1)c1ccccc1 1435582725 UYLQKZYRUQHYIB-QGZVFWFLSA-N 293.410 4.856 30 10 CJEE C=CCC[C@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1 1458138406 ZFEIZSMLKZVSLO-VVLLFNJHSA-N 297.442 4.947 30 10 CJEE C=CC(C)(C)NC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1463303556 NJCYIXATVRSQDD-HVEKOLDVSA-N 291.479 4.700 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCCC[C@H](c2ccccc2)C1 1474149199 KGLASKUSXWSENU-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)c1ccc(OC)c(C)c1 1474730392 WEBUBRWCZWESSH-WBVHZDCISA-N 275.436 4.789 30 10 CJEE C=CC1(CC(=O)N[C@H](C)c2ccc(CC)cc2)CCCCC1 1535547907 RODPEQXHSLCHJZ-MRXNPFEDSA-N 299.458 4.953 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(C)c(Cl)c2Cl)CC1 1583908519 JQWNYAQIHZKJBY-UHFFFAOYSA-N 298.213 4.987 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CCCC1 1586149451 PGEUNDNSPWDDTP-JKSUJKDBSA-N 293.495 4.948 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1Sc1ccccc1 1587848449 JTKFPVSXMZIIHW-UHFFFAOYSA-N 283.396 4.743 30 10 CJEE C=CCN(CCCc1cccc(C)c1)Cc1ccccc1F 1615234092 PMKOISFILOUPCF-UHFFFAOYSA-N 297.417 4.755 30 10 CJEE C=CCCC[C@H](C(=O)N1CC2(CCCC2)C1)c1ccccc1 1617111610 NNFGMFRRPSVUAC-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1 1618528669 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C=CCCCC[C@H](NCC)[C@H]1CCC[C@H]1C(F)(F)F 2123085858 QDSVJOASAZFXOP-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE COC[C@@H]1CC[C@@H](CC2(C#N)CCC(C)(C)CC2)C1 2125447417 JSXCMOUXAUHAEN-HUUCEWRRSA-N 263.425 4.549 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2C[C@H]3CCCC[C@H]32)C1 2125732917 HWSJRFNJPLSWIY-TVFCKZIOSA-N 261.453 4.537 30 10 CJEE CCSc1cccc(NCCC[C@@H]2C[C@@H]2C)c1C#N 2126351446 BTUONUVFQBLHFN-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1)[Si](C)(C)C 2127039003 VSFKOVWFGFGTTP-LTIDMASMSA-N 279.544 4.615 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cc(Cl)c(F)cc2C#N)C1 2127971991 PXNXAUIBXCOPCD-CMPLNLGQSA-N 281.758 4.698 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCC(F)(F)C1)c1ccccc1 2128430030 FKTTTWSHPFGABR-HIFRSBDPSA-N 263.331 4.899 30 10 CJEE C=CCCCCCN[C@@H]1c2ccccc2CC[C@H]1C 2128981000 RDNWROLLFTVVEJ-QAPCUYQASA-N 257.421 4.646 30 10 CJEE CC[C@H](C1CCCC1)N(C)c1ccc(C#N)c(Cl)c1 2129337571 MBAMQOJRVLIWPB-MRXNPFEDSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCCCCN1CC(CC#N)C1 2129804237 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C=C[C@H](C)CCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2260239587 AQTRWJQVLMHQSW-QMMMGPOBSA-N 289.162 4.526 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccsc1 2262549470 AAGYKUBLEMQNBW-OAHLLOKOSA-N 269.454 4.515 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cccc(O)c1 2264360095 QXUCMAYMMGVCBF-QGZVFWFLSA-N 263.425 4.707 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(OC)c1Cl 2268080526 ZVJUIZGLVYPZPO-CQSZACIVSA-N 283.843 4.970 30 10 CJEE C=CCCCCCCCCCOC1(CCCN)CC1 2270202467 JBZSURPJNVXVPU-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C=CC1(CCc2cccc(OC(F)(F)F)c2)CCC1 2271228984 BPBSCUIYQYUCPZ-UHFFFAOYSA-N 270.294 4.874 30 10 CJEE C=CCCCS[C@@H](C)[C@H](NCC)c1ccccc1F 2271490501 LQBDJEVACHHFSG-BBRMVZONSA-N 281.440 4.564 30 10 CJEE C=CCCCCCCCSC[C@@H](N)c1csnc1C 2271597320 SZEDWUHVTOLCRH-OAHLLOKOSA-N 298.521 4.711 30 10 CJEE C=C(C)CCCC[C@@H](O)C1C2CC3CC(C2)CC1C3 2271836564 ICPURWICUQUESF-SVXFNXITSA-N 262.437 4.556 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cnc(C(F)(F)F)s1 2271838421 GAQJXIPPACLMOS-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@]23CCC[C@H]2CC3)C1 2273480650 OHLLRVTZLPQPKH-WMZOPIPTSA-N 261.453 4.539 30 10 CJEE CCCC[C@@H](C)CC[C@@H](CC#CC1CCCC1)NC 2274128137 FHMAGEASXQOXOB-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE CC(C)(C)c1cccc(C[C@]2(C=O)CCC2(C)C)c1 2274438498 NMSNSZDHYYQYOM-SFHVURJKSA-N 258.405 4.532 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CCC[C@H](C)C1 2276456288 OIMZLQPGTFMZJQ-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1sccc1C 2276927192 QVLNTHBBGFVKAK-MRXNPFEDSA-N 283.481 4.608 30 10 CJEE C=CCC[C@@](C)(CCCCCCCCC)OCCN 2277290729 QLFMPUHSJXLXQN-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC(C)(C)CCO1 2280275170 YYJURISCFWGCEW-SJORKVTESA-N 283.500 4.920 30 10 CJEE Cc1cc(N[C@@H](C)C2CC3(CCC3)C2)cc(C)c1C#N 2280566482 CAKRZYFMOYZXNJ-AWEZNQCLSA-N 268.404 4.556 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NCC[C@@H]1CCCC12CC2 2281395068 YXHZKVFVXMKZAP-LBPRGKRZSA-N 292.785 4.733 30 10 CJEE Cc1c([C@@]2(C#N)CCCC(C)(C)C2)ccnc1C(F)F 2283120896 KWKKTTVJBNVPEL-INIZCTEOSA-N 278.346 4.689 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1CCC[C@@H]2CCCC[C@H]21 2284181544 TXJULVFLWBDQJN-RCCFBDPRSA-N 273.464 4.541 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)CC(CC)CC 2287389166 AWUCADCXFNNPHK-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1OCCC1(C)C)NCCC 2287409523 VUCLQDNKSXBNEN-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2ncccc2c1 2287412378 CVHBTBOYQQTQSU-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CC(C)CNC[C@@]1(CC#CC2CCCC2)CCC[C@H]1C 2289900605 FOQMQEUEOUCDFZ-MJGOQNOKSA-N 275.480 4.622 30 10 CJEE CCCCCCC[C@H](O)c1ccnc2ccc(F)cc12 2290172522 PZMXMMLQFAOWRY-KRWDZBQOSA-N 275.367 4.768 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1cc(C)ccc1Cl 2292790305 CIJVNVNPUKUKLH-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCC[C@H]1CCC 2292795747 DHIKTVUBFQRLCB-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@H](C)C1)OCCN 2293120451 MABCOSAOUMYNFJ-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE C=CCC[C@](C)(CCCCCCC1CC1)OCCCN 2293875573 GMFLBNSXQNLYGU-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C1CC(C[C@H](CCCCCCCCC)OCCN)C1 2294654555 PQNJQDKLPPDIHR-SFHVURJKSA-N 281.484 4.827 30 10 CJEE O=C[C@]1(CCc2ccc(F)cc2)CCCCC12CCC2 2294695909 BKNCBIQBRDSMTI-GOSISDBHSA-N 274.379 4.688 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(N)C#Cc2ccccc2Cl)C1 2295224634 PZVXBKSPKJHKLU-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE CCC1(CC)CCC(O)(C#Cc2ccccc2Cl)CC1 2295238519 ZRHPERCZZHBIOK-UHFFFAOYSA-N 290.834 4.803 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)o1 2295478345 TUAXUXUWIQEKJD-UHFFFAOYSA-N 281.138 4.791 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC([C@@H](C)N)CC1 2295519934 LUHPEFVODATWTA-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cn(C(C)C)cn1 2295579593 FVEDXIIDTRCBJR-KRWDZBQOSA-N 280.456 4.812 30 10 CJEE CCCCCOc1ccc(C(=O)C=Cc2ccco2)cc1 2295967984 QZLSSMWAXJQYFJ-UHFFFAOYSA-N 284.355 4.745 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1sc(C)c(C)c1C 2304025954 XOXPDZFGXSRAMK-GJZGRUSLSA-N 251.439 4.666 30 10 CJEE CC1CCC(CSC[C@]2(CS)CC2(F)F)CC1 2306942375 ZIKHIKBCJQZLGX-HTAVTVPLSA-N 280.449 4.501 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1C[C@H](SC)C1 2314262121 JBHVASXYVKIUEC-BZUAXINKSA-N 271.514 4.986 30 10 CJEE SC[C@@H](COCCCC1=CCCCC1)CC1CC1 2318486829 KPXXRQLNQQECMB-MRXNPFEDSA-N 268.466 4.630 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@@H](C)C(F)F)NCC 2321096494 SARUQAUJIBRYCM-NFAWXSAZSA-N 261.400 4.638 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCCC(C)(C)C1)NC 2321107316 FTXQLZLKNVXYRX-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(F)F)cc1 2321114514 ALTRNKJMZAKJLR-HIFRSBDPSA-N 253.336 4.616 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(C(C)C)CCC1)NC 2321140856 KMNVHRMEEISNAV-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CC(C)C[C@H](CS)COc1cccc(C(C)C)c1 2328519040 NBGMTYNCPHFDTI-AWEZNQCLSA-N 266.450 4.781 30 10 CJEE C#CCCCCC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329822294 TXGGIICZEFQRCR-WNRNVDISSA-N 261.453 4.504 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2334313048 FUZJKTWRQQQSBY-BVUBDWEXSA-N 260.421 4.764 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCc2ccccc2NC1 2335229372 LUPJMELJTUQLQS-MRXNPFEDSA-N 273.445 4.667 30 10 CJEE C=CCC(CC=C)[C@]1(N)CC[C@H](C)c2ccccc21 2338727557 MAJJKLWFRZPVCV-KBXCAEBGSA-N 255.405 4.506 30 10 CJEE C=CCC(CC=C)[C@H](CC[C@@H]1CC1(C)C)NCCC 2338739942 ALBIVBRWUBRWAY-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@H]1CCC(C)=C(C)C1 2343403542 BRXPJBUGVQZAQI-KURKYZTESA-N 259.437 4.696 30 10 CJEE C=CCC[C@H](Cc1cccc(C(C)C)c1)NCCC 2343775207 FQHYPURMVCLQPV-GOSISDBHSA-N 259.437 4.687 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@H]2CCC[C@H](C1)C2)NC 2344338518 AAVWIBZJEVIVMU-ZOBUZTSGSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1C1CCC1)NCC 2344341440 BSYONNBZYCSTGJ-BDXSIMOUSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC12CCC(CC1)CC2)NC 2344343413 DJCSFYZCYGBJMU-QLOLRVAOSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1CC(C(F)(F)F)C1 2344346697 VIFINOTZPKCTLS-PQAZSJQKSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](N)C[C@@H]1CC12CCC(F)(F)CC2 2344378362 VAHMMXSZKHGYLS-OLZOCXBDSA-N 271.395 4.522 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1C[C@H]2CCC[C@H](C1)C2 2344457319 NHBQNMMSPRIJPF-CWLKWCNXSA-N 264.453 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(C(C)C)C(C)C)NN 2344473791 MUDDVUWHQGTONH-IAGOWNOFSA-N 268.489 4.519 30 10 CJEE C=CCCCCCCCSC[C@@H]1C[C@H](N)C12CCC2 2351631087 GIEHXVLCJHLYDW-HOTGVXAUSA-N 281.509 4.764 30 10 CJEE Cc1cc(Cl)c(C#C[C@H](N)C2CCCCC2)c(Cl)c1 2353127801 XELKFTPGBANGQA-INIZCTEOSA-N 296.241 4.561 30 10 CJEE C=CCCC[C@H](N)CC1CCC(CC(F)(F)F)CC1 2353163460 APRAWPYPHNFQIY-RUXDESIVSA-N 277.374 4.819 30 10 CJEE CC(=O)c1ccc(C#N)cc1SCC1CCC(C)CC1 2360385014 WWCUFPXWUFFDCH-UHFFFAOYSA-N 287.428 4.679 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2ccc(C)cc2)C1 37146702 HLHZRZGOADTIGO-NZSAHSFTSA-N 284.447 4.535 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1ccc(F)cc1Cl 37902198 BDTUARADTWGHGH-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCCCCCCCCN(c1ccc(CN)cc1)C1CC1 59178633 NVOIQIPCBRPIBZ-UHFFFAOYSA-N 288.479 4.865 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(F)cc1F 59277475 LLUYDPAJQQFDSY-HNNXBMFYSA-N 255.352 4.586 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCCc2sccc21 61329636 JOICZIBZDHRQHQ-HNNXBMFYSA-N 288.803 4.569 30 10 CJEE Cc1ccc2c(C#N)c(Cl)n(Cc3ccccc3C)c2c1 71466399 NBUKHNDPWOQIDE-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CC1(C)CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86899343 VZINUCIQHLONKF-CQSZACIVSA-N 276.811 4.982 30 10 CJEE C=CCC[C@H](NCCC)C1CCC(C(C)C)CC1 87966779 LVWBDNOFTOEABP-JCYILVPMSA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547321 JAEAXJBYQHPIEQ-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE C=CC[C@H](NCCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547382 PNNQBEOXDUZILQ-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE CC#CCCc1ccc(OCc2ccccc2)cc1C 107616740 NQAGWRFNECINIY-UHFFFAOYSA-N 264.368 4.530 30 10 CJEE CCOc1c(C)cc(Cl)c(C)c1[C@H](C)CCC#N 107650252 QLBOMIIHBCRCLJ-SNVBAGLBSA-N 265.784 4.763 30 10 CJEE CCCCCCCCCCC(=O)NC1CCCC1 109299453 TWPHYFAQPVSGIS-UHFFFAOYSA-N 253.430 4.576 30 10 CJEE CCCCCCCO[C@H](c1cccc(Cl)c1)[C@H](C)N 109987412 WZCWNMQHZSIASV-BBRMVZONSA-N 283.843 4.715 30 10 CJEE CCCCCCC[C@@H](CN)N1CCC2(CCCCC2)CC1 110026644 LWRZKOSWGIKRAP-SFHVURJKSA-N 294.527 4.721 30 10 CJEE CC(C)(C)CC(C)(C)Nc1cccc(Cl)c1C#N 110257033 YAJNWPUNQZBLCI-UHFFFAOYSA-N 264.800 4.838 30 10 CJEE Cc1cc(Cl)ccc1Oc1nc2c(cc1C#N)CCCC2 110261213 VREIGQSXTJTJNB-UHFFFAOYSA-N 298.773 4.586 30 10 CJEE CCCCCCCCCCSc1ccc(N)cn1 110324214 HHWPAMWRYLTCDV-UHFFFAOYSA-N 266.454 4.897 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2cc(C#N)ccc2F)C1 110354829 DBTBPERFJJNAOC-BXUZGUMPSA-N 263.381 4.509 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2ccccc2n1 111726618 ZMGYRKIJUYWXIN-OAHLLOKOSA-N 256.393 4.595 30 10 CJEE CCCCCCCCCN1C[C@@H](C2CC2)NC[C@@H]1CCC 114072300 MUEUFSMGWNHWOK-OALUTQOASA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCN(CCC)CC1 115654739 CCQJMOISKODEGM-GOSISDBHSA-N 283.500 4.754 30 10 CJEE N#Cc1ccc(Nc2c(F)cc(F)cc2Cl)cc1Cl 124312476 SALLDAHDZFVPIL-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCc1onc(N)c1-c1cccnc1 127214571 LXXNHGSCVFDNSB-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE CCCCCCCCCCNc1nccc(C)c1[N+](=O)[O-] 129428955 JXUMMAGPQJRZTG-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CCSc1cccc(N[C@H]2CCCC2(C)C)c1C#N 136681596 SXWKCIHHZSAIEX-HNNXBMFYSA-N 274.433 4.661 30 10 CJEE CCCCCCCCNc1nc(C(C)(C)C)ns1 161073649 RBXTWYSFOFJRTG-UHFFFAOYSA-N 269.458 4.608 30 10 CJEE CCCCCCCC(=O)c1cccc2cnccc12 165376084 ZSWZKZQYETXSGI-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CSc1cccc(N[C@@H](C)c2cccc(F)c2)c1C#N 167584658 GYBUXVCIGWQFGL-NSHDSACASA-N 286.375 4.592 30 10 CJEE N#C[C@H](C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 167917870 NZWGXCQGCJNMRX-YJNKXOJESA-N 287.428 4.531 30 10 CJEE CCCCCCCCN[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 216315484 LWJSMOASKZOHCR-QXDIGNSFSA-N 263.469 4.761 30 10 CJEE C=CCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCCC 219295992 KIHAWMRVXKLKAI-BRWVUGGUSA-N 251.458 4.785 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)C1 230995751 MNUIWRJRBOABKK-ZIAGYGMSSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(C)c(C)c1)NCC 233602960 WFCMCCDOFFXZIU-LJQANCHMSA-N 273.464 4.961 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccncc1Cl 233610007 UMODBKCUCNCQMT-OAHLLOKOSA-N 266.816 4.522 30 10 CJEE CC[C@@](C#N)(CCCSc1cccc(C)c1)NC(C)C 233984934 DGTKGJUKIRFEHL-KRWDZBQOSA-N 290.476 4.538 30 10 CJEE C=C1[C@H](c2ccccc2)OC(=O)N1c1cccc(Cl)c1 247954779 LQZWUFHFYLYREE-OAHLLOKOSA-N 285.730 4.552 30 10 CJEE CCC(=NO)c1ccc(OC2CCC(CC)CC2)cc1 252473262 UAQHDMDPHVJRRY-UHFFFAOYSA-N 275.392 4.623 30 10 CJEE CCC1CCC(Oc2cccc3c2CCCC3=NO)CC1 252676988 OZDYLNLAVCOTEI-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE CC(C)(C#N)C[C@H]1CSc2cccc(C(F)(F)F)c21 260000280 ABUPORNSRHWVMU-VIFPVBQESA-N 285.334 4.835 30 10 CJEE Cc1ccc(C(C)C)c(O)c1C1(C#N)CCCCC1 260082660 ATLNPWGZHPQCSR-UHFFFAOYSA-N 257.377 4.550 30 10 CJEE C[C@@H]1CCC[C@@H](COCCCCC(C)(C)C#N)C1 302421053 UHRLSWDBPHHXCW-HUUCEWRRSA-N 251.414 4.549 30 10 CJEE C#C[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C(C)C 302446295 WWTDSOBZJQZVKP-LSDHHAIUSA-N 284.230 4.692 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1Cl 308057292 ROMNVKICXBWQMA-JSGCOSHPSA-N 277.795 4.589 30 10 CJEE C=CCCCCCCN[C@H](C)c1c(F)cccc1F 312107484 KVPLKHUTUMQGEN-CYBMUJFWSA-N 267.363 4.752 30 10 CJEE CCC1CCC(C#N)(c2nccc3ccccc23)CC1 312265614 LRPJGFLLVBBJIO-UHFFFAOYSA-N 264.372 4.596 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H](CNCC(C)C)O1 312698850 PAQBZILCDMFORV-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@@]1(CNC)CCCc2ccccc21 316747606 QBPORDOLVIBZAY-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(C)ccc2C)C1 316819803 KEZYQCHYFZOTHN-SJLPKXTDSA-N 258.405 4.631 30 10 CJEE CCCNC[C@]1(CC#CC(C)(C)C)CCCC[C@H]1C 319363286 XSPNBOCMQUSPQC-SJLPKXTDSA-N 263.469 4.622 30 10 CJEE CCC(CC)(CO)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 322145564 CNYXKWVABZWXFY-SOUVJXGZSA-N 297.508 4.625 30 10 CJEE C=CCCCCCCNC1CC(c2ccccc2C)C1 380524571 RVVYNDVWAKPFRV-UHFFFAOYSA-N 271.448 4.967 30 10 CJEE N#C[C@H](CSc1ncccc1Cl)C1CCCCC1 397346247 XMKCKGYPSOSZBM-GFCCVEGCSA-N 280.824 4.547 30 10 CJEE C=CCCCCC[C@@H](NC)c1csc(C)c1C 399856988 NHFCGOQLCUYXFF-OAHLLOKOSA-N 251.439 4.762 30 10 CJEE CC[C@H](CC(F)(F)F)CC1(C=O)CCCCC1 402485528 SVPPLEJGEZVEJP-NSHDSACASA-N 250.304 4.505 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 410376677 XCWVTLGDBLUFBO-MRXNPFEDSA-N 293.410 4.938 30 10 CJEE C=CCC(CC=C)C(=O)N(c1cccc(C)c1)C(C)C 468717173 QRKOPAZFAZTTGO-UHFFFAOYSA-N 271.404 4.505 30 10 CJEE Cc1ccc(Cl)cc1N[C@@H](C)c1ccc(C#N)cc1F 512654232 KLNCHBOLBJPBJM-NSHDSACASA-N 288.753 4.832 30 10 CJEE Fc1ccc(N=C2NC3(CCCC3)CCS2)cc1Cl 687325693 MAUZZWHLMMPHNJ-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE CC[C@H](CC(F)F)C[C@]1(C#N)CCc2ccccc2C1 688754798 MQLSPWNUOWRKJS-CXAGYDPISA-N 277.358 4.757 30 10 CJEE N#CC[C@@H](Nc1ccc(C2CC2)cc1)c1ccccc1 690137504 IUCIBYOTNRQWEK-GOSISDBHSA-N 262.356 4.631 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(SC(F)F)cc1 690180236 GIMMRUNEYLTQFK-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE Cc1ccc(Nc2ccc(C3CCC3)cc2)c(C#N)c1 690283877 VYBWENBCYBCBAD-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE CCc1ccc(Nc2nc(C)cc(C)c2C#N)cc1Cl 691229250 DPFOFAGTXCKNLD-UHFFFAOYSA-N 285.778 4.530 30 10 CJEE CCCCCCCC[C@H](NCC)[C@]12CCC[C@H]1C2 693201177 AXNHGAYILFEDDC-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE Cc1ccc(C(=O)C2=CCCCC2)cc1C(F)(F)F 693485073 RCULJCNTXCELLU-UHFFFAOYSA-N 268.278 4.697 30 10 CJEE CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccs1 695812247 RLXFWORUULUPOK-QWHCGFSZSA-N 264.438 4.507 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)c3cc(C)oc3C)C[C@@H](C1)C2 697310727 GUYSDTBYEDKZAI-KTFSGNIMSA-N 273.420 4.682 30 10 CJEE CCCCCCCNC1CC(c2ccccc2C)C1 705907398 GJKLQWJPUPTCTB-UHFFFAOYSA-N 259.437 4.801 30 10 CJEE N#Cc1cccc(-c2csc([C@@H]3CCCC34CC4)n2)c1 706210108 RDEVLILORNOOQI-AWEZNQCLSA-N 280.396 4.729 30 10 CJEE CCC[C@H]1CCCN(CC2(CS)CCCCCC2)C1 708466048 DQFUNKMRNTXYPK-INIZCTEOSA-N 283.525 4.769 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)c1cccc(Cl)c1C#N 709246862 YVSDIIUFNOUXSD-IUODEOHRSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1C[C@@H]1C1CC1)NN 712969613 NPOWYBUFGDWJJC-RCCFBDPRSA-N 280.500 4.785 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc2ccccc2c1 715811028 GQPMRBMOMLDIIV-KDOFPFPSSA-N 253.389 4.703 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)ccc1Cl 717895559 WLPCWOXOZJSQDF-UHFFFAOYSA-N 272.219 4.828 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(C)c(Br)c1C 719565765 PKPJJURIACILSQ-CQSZACIVSA-N 296.252 4.510 30 10 CJEE C=C1CCC(C[C@H](N)c2cc3c(s2)CCCC3)CC1 724614711 BMOXADAORCVRAC-HNNXBMFYSA-N 275.461 4.763 30 10 CJEE N#CCc1c(C(F)(F)F)ccc2cc(Cl)sc12 725286904 ROAJFQCUNKYPNV-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE C=CCCC[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 773872581 RIKNBRNYXMPUOT-ZDUSSCGKSA-N 299.370 4.552 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccccc1C1CC1 821997541 VIASBAVTIYAYQY-APWZRJJASA-N 269.432 4.789 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccsc1)c1ccccc1 1125686098 ZNVHEQDMAVSBGF-UHFFFAOYSA-N 285.412 4.638 30 10 CJEE C=CCCCCCN[C@@H](c1ccccc1)C(F)(F)F 1167834659 ISGKVFIQJCAKCN-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE C#CCCCCCCN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 1193931822 OEHHPKCYJGJGOQ-QUCCMNQESA-N 283.459 4.757 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](CC)C1CCC(C)CC1 1273994086 FLGMVEVBTFNEDV-GPANFISMSA-N 279.468 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CC12CCCC2 1274720686 HALSJVSXJKIFDU-MRXNPFEDSA-N 277.452 4.600 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CC)CC(C)C)c1 1289567379 XUQGEMSIAHGEBH-CQSZACIVSA-N 259.393 4.731 30 10 CJEE C=CCN(C/C=C\c1c(C)cc(C)cc1C)C(C)C 1308585841 RCLCKKONTJEZTQ-HJWRWDBZSA-N 257.421 4.521 30 10 CJEE C#CCC1(NC[C@@H]2CCCC[C@H]2CC)CCCCC1 1308950799 UFWLQAXPRZBYHD-SJORKVTESA-N 261.453 4.519 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc2ccccc2c1 1310103251 PQWUOLMKFVIOLX-UHFFFAOYSA-N 296.414 4.954 30 10 CJEE C=CCC1(C(=O)OCCCc2ccccc2)CCCCC1 1347823061 YUQWGABBDRFDCJ-UHFFFAOYSA-N 286.415 4.689 30 10 CJEE C=CC[C@H](CC)NC(=O)c1cc2c(Cl)cccc2s1 1436065945 OFMZSLOTRVGAAZ-JTQLQIEISA-N 293.819 4.639 30 10 CJEE C=CCCCCNC(C)(C)c1ccc(OCC(C)C)cc1 1459852761 YYEIDGJBYXSCGR-UHFFFAOYSA-N 289.463 4.902 30 10 CJEE C#CCCCCCCOc1cccc(C)c1Br 1473078833 LWRXHBPZBFMDMP-UHFFFAOYSA-N 295.220 4.720 30 10 CJEE N#Cc1ccc(CN2CCCC3(CCCCCC3)C2)s1 1473200455 CSVRKZNHOCQNCE-UHFFFAOYSA-N 288.460 4.556 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](CC)c1ccc(C)c(F)c1 1520768012 GKGFJKQFGRVIQL-WBVHZDCISA-N 278.367 4.731 30 10 CJEE C=CC1(CC(=O)N(C)Cc2ccc(CC)cc2)CCCCC1 1524637349 WBTJLHBSSDHSAF-UHFFFAOYSA-N 299.458 4.734 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1OCCC 1527423284 DETCQDUNEMEYIR-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE C=CCCCCCCCNC(=O)c1sc(C)cc1C 1527549763 SEKDCFYNZUYTJR-UHFFFAOYSA-N 279.449 4.621 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 1528951333 ITEACYHBOFPZIO-IXDOHACOSA-N 289.463 4.598 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CCCC3(CC3)C2)CCCC1 1538899922 XXRABAGVNZCUQA-MRXNPFEDSA-N 289.463 4.600 30 10 CJEE C=C(C)c1cccc(NC(=O)CCSc2ccccc2)c1 1539121400 HOHAIXOJZGLDIU-UHFFFAOYSA-N 297.423 4.841 30 10 CJEE C=CCC1(NC(=O)c2ccc(C(F)F)cc2)CCCCC1 1543288246 FCQZYSUGIZVIPV-UHFFFAOYSA-N 293.357 4.633 30 10 CJEE C=CCCCN(CC)c1ncnc2ccc(C(C)C)cc12 1559296950 LQKKDJSWOAXACS-UHFFFAOYSA-N 283.419 4.546 30 10 CJEE C=CCCCCN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 1560772424 XISDIEHTGBUVNS-AWEZNQCLSA-N 299.380 4.972 30 10 CJEE CCC(C)(C)c1ccc(NC[C@H](C)CCC#N)cc1 1560804539 GVJDEHJTZJIPLD-CQSZACIVSA-N 258.409 4.726 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 1597308337 YUBALRMFMPKNGC-CGTJXYLNSA-N 299.458 4.677 30 10 CJEE Cc1ccc(C#Cc2ccccc2OC(F)(F)F)c(C)c1 1614825943 CFCRCPUJMSLLRH-UHFFFAOYSA-N 290.284 4.602 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@]1(CC)Cc1ccccc1 1617168562 UCMAYCFITOHIMQ-YLJYHZDGSA-N 299.458 4.603 30 10 CJEE C=CC[C@@H](C(=O)N1CCC[C@@](C)(CCC)C1)c1ccccc1 1628899598 XRPMXGMHVDBHPL-UYAOXDASSA-N 299.458 4.775 30 10 CJEE C=C(CC)CN1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1645020385 CYZRPVLHSWWKJL-LLVKDONJSA-N 284.230 4.879 30 10 CJEE C#CCCCCCCN1C[C@@H](C(C)C)c2ccccc21 1645474856 DBKOUZJSOBFFOB-SFHVURJKSA-N 269.432 4.830 30 10 CJEE C=C(CC)CN1CC[C@@H](C(F)(F)F)c2ccccc21 1645838816 XBEKCYUPKBUZLR-CYBMUJFWSA-N 269.310 4.509 30 10 CJEE C=CC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2F)C1 1647863132 ALOWYEBYLCQWIV-SNVBAGLBSA-N 288.193 4.531 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cccc(OC(C)(C)C)c2)C1 1658541524 MHHIZCPKMQETJT-NVXWUHKLSA-N 287.447 4.698 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@H](CC)CC2)c1 1674976235 SVMZXTJVSJPCKP-HNNXBMFYSA-N 286.419 4.764 30 10 CJEE Cc1cc(C)c(Nc2ncc3c(c2C#N)CCCC3)c(C)c1 1859838941 NLHMGFLUJWWRBL-UHFFFAOYSA-N 291.398 4.501 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@H]1CC[C@H](CC)CC1 1878358699 OCIDMQDRWXUPHU-WKILWMFISA-N 264.457 4.607 30 10 CJEE C=CCN(Cc1ccsc1C(F)(F)F)C1CCCC1 1884694980 GNUBMYWSZDGASV-UHFFFAOYSA-N 289.366 4.698 30 10 CJEE CC#CCCCCNc1ccc(SC(F)(F)F)cc1 1885229251 RBULXUATTFYPAI-UHFFFAOYSA-N 287.350 4.904 30 10 CJEE CC#CCCCCN(C)C1CC(C)(C)CC(C)(C)C1 1885370405 PDCQAUPHZRYGBI-UHFFFAOYSA-N 263.469 4.717 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H](F)C1CCCCC1 1886643645 XUIWKMRHPTYKEB-LJQANCHMSA-N 289.438 4.983 30 10 CJEE C#CC[C@@H](C[C@@](C)(O)c1cccc(Cl)c1Cl)C1CC1 1887098033 JBIUUYCXZXLQJK-BLLLJJGKSA-N 297.225 4.641 30 10 CJEE C#CC[C@H](C[C@H](CCCCCC)NCCC)C1CC1 1887452969 OIJGIAPBKFBRDI-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C=C(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 1888689283 OWMLPQBMLDKEOD-UHFFFAOYSA-N 291.177 4.818 30 10 CJEE C=C(c1ccccc1)[C@H](CC1(C)CCCC1)NCC 1888702787 ZOCPKGPBWHDMPM-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE C=C1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 1890348976 VOJSYJMGYOYCGV-UHFFFAOYSA-N 292.382 4.597 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccsc1Cl 1903149577 NCXDHHKXQYTDJJ-DGCLKSJQSA-N 257.830 4.654 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@@H](C)NC 1914953185 XGHRIKKFUZJAMF-QGZVFWFLSA-N 294.442 4.550 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCC2(CCCC2)C1 1916427847 RQCSQIDDHNVOQA-BRWVUGGUSA-N 261.453 4.824 30 10 CJEE CCCCCCC[C@](C)(N)CC1C[C@H](C)O[C@@H](C)C1 1919505065 OSMKXSCCMXIUGP-ZOBUZTSGSA-N 269.473 4.658 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@@H]1C[C@H]2CC[C@H]1C2 1919904012 NYGLXHAZZHEMCZ-LUKYLMHMSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(F)ccc1F 1919909488 IPGWZPUNKXVEJR-HNNXBMFYSA-N 256.336 4.533 30 10 CJEE CCCCCCC[C@](C)(O)CC1[C@H]2CCCC[C@H]12 1919912664 KZAKWMWYORFULP-ZOBUZTSGSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NC)c1ccc(Cl)cc1 1920831580 WZFBVYIYMKWPHH-SJORKVTESA-N 297.870 4.712 30 10 CJEE CSCC1CCC(O)(C2(C#N)CCCCCCC2)CC1 1921110505 DBWRYQBTRICCRA-UHFFFAOYSA-N 295.492 4.525 30 10 CJEE N#C[C@@]1(CCCOC2CCCCC2)CCCC12CCC2 1921615873 NDAYTGOGKROFGE-SFHVURJKSA-N 275.436 4.980 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)cc1F)[Si](C)(C)C 1922861227 VOAUXNPALIXGFS-MRXNPFEDSA-N 279.475 4.608 30 10 CJEE C=C([C@H](Cc1ccccc1Cl)NCCC)[Si](C)(C)C 1922973154 GOEFBZQZOSDGGI-INIZCTEOSA-N 295.930 4.684 30 10 CJEE C=C([C@@H](NCCC)[C@H](C)c1ccccc1)[Si](C)(C)C 1922979295 RIKZEWDUJGNPLP-PBHICJAKSA-N 275.512 4.592 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)[C@H](C)CO2 1925687444 BWAHVAUQMWREOF-PBHICJAKSA-N 275.436 4.933 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)[C@H]1C[C@H](C)CC[C@@H]1C#N 1931992990 MXIMRWKNPWZDJH-LFGUQSLTSA-N 298.474 4.861 30 10 CJEE CCC[C@H](C)CCNc1cccc(Br)c1C#N 1942819771 ZEEVMWCUGXHZJN-NSHDSACASA-N 295.224 4.559 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)c1cc2ccccc2o1 1964107982 JXVDUTKUROMGPZ-UONOGXRCSA-N 257.377 4.828 30 10 CJEE C=C(C)CC[C@H](C)NC1CC(c2ccccc2C)C1 1964567072 PDDHLEVSNSELSH-GTPINHCMSA-N 257.421 4.575 30 10 CJEE C=CC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1978545627 VUNCJSIEFLIYEL-SNVBAGLBSA-N 278.610 4.874 30 10 CJEE C=CCC[C@H](C)n1c(S)nc2cc(Cl)ccc21 2002054052 YUCLMMVVPLNZMM-VIFPVBQESA-N 266.797 4.506 30 10 CJEE C=CC1(C[C@@H](N)c2c(C)cccc2Br)CCC1 2002630430 NLISEUGMDZNGNA-CYBMUJFWSA-N 294.236 4.504 30 10 CJEE C=CCCCC[C@@H](NCCC)c1sccc1F 2009480992 DNRYWGJFCUXNMO-CYBMUJFWSA-N 255.402 4.674 30 10 CJEE C=CCCCC[C@]1(N)C[C@@H](C)Sc2sccc21 2009492502 WXSAMDQXCCRANG-RISCZKNCSA-N 267.463 4.533 30 10 CJEE O=C(CC[C@@H]1CCCC1(F)F)C1=CCCCCC1 2027638832 KVIAYTGRRQGOID-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)c(C)c2)C1 2028858822 SYWHQLUZLPTUFU-CZUORRHYSA-N 261.796 4.911 30 10 CJEE C=CC[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2030151623 NBXUFXILDBTZAF-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE CCCCCCCCNC[C@]1(C)CCC(F)(F)C1 2030366287 GCDOBEWGIPJVMM-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CC[C@H](F)C1 2032971468 PMFXSPDAQJCPOL-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H]1CCSc2ccccc21 2035365216 YFYIZGICDVYJGG-UKRRQHHQSA-N 261.434 4.558 30 10 CJEE C=C[C@H](C)[C@]1(CNC(C)C)CCCC(C)(C)CC1 2039382304 YJWBAODYTMDKDW-DOTOQJQBSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@H]1CCCC[C@H]1C 2040521299 GDHKBIZQEFOAAF-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=C(C(C)(C)C)[C@@](N)(CC)C1CCC(C)(C)CC1 2040649450 BGQKVLAVZAFSJZ-KRWDZBQOSA-N 251.458 4.913 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1CCCCC12CCC2 2053417061 YKRHBHCEXNPIFS-JKSUJKDBSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@](C)(O)c1csc(C2CC2)n1 2055068848 AVCHFNBFSMTAEN-HNNXBMFYSA-N 267.438 4.589 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnccc1Cl 2055734439 SETMGLNMORMBAA-OAHLLOKOSA-N 269.816 4.909 30 10 CJEE N#Cc1cc(Oc2cc(Cl)ccc2Cl)cnc1Cl 2058936311 MTQNDSVDYJLGGB-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE C=CCCCC[C@@H]1CC(C)(C)CC[C@H]1CNCC 2059114757 MJLUXOOGUQIBHC-CVEARBPZSA-N 251.458 4.785 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(Cl)cc2C)C1 2061722118 FUVAIIWYROROGS-INIZCTEOSA-N 263.812 4.655 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cc(C)c(C)s2)C1 2061734403 MUTWXZZGZMLESL-HNNXBMFYSA-N 263.450 4.762 30 10 CJEE C=C(F)CC1(CNCCC)CCC(CCC)CC1 2062215700 YZNKABWVEBOQDI-UHFFFAOYSA-N 255.421 4.836 30 10 CJEE C=CCCCC1(CNC(C)C)CCC(F)(F)CC1 2065250949 FWLHDXLBUGGSSI-UHFFFAOYSA-N 259.384 4.536 30 10 CJEE CC1(C)CC[C@@]1(C#N)Cc1cscc1C(F)(F)F 2068231860 BEHUHZVMLAASIJ-LBPRGKRZSA-N 273.323 4.639 30 10 CJEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1cc(C)ccc1C 2070170547 NXABCXITUDUANP-INIZCTEOSA-N 292.426 4.748 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CC2(C(F)(F)F)CCC2)C1 2071265723 WDYQGDVOYOEMCW-RYUDHWBXSA-N 259.315 4.829 30 10 CJEE C=C[C@H](C)C[C@@H](CC[C@H](C)C(F)(F)F)NCCC 2071520998 AEJYSWHBIPGLKJ-RWMBFGLXSA-N 265.363 4.545 30 10 CJEE C[C@](F)(CC1(C=O)CCCCCCC1)C(F)(F)F 2071800285 HAIUHDMTKIQTIP-NSHDSACASA-N 268.294 4.597 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC2(CCF)CC2)CC1 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2090884550 NULWXSIMIDWVMS-INIZCTEOSA-N 270.457 4.883 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)[C@H](C)CCC 2092180469 IYSLQTBRSLUGBO-IXDOHACOSA-N 271.489 4.512 30 10 CJEE CC(C)(C[C@]1(C=O)CCCC1(C)C)c1ccccc1 2093016295 FXJAFPKGIIZDIM-SFHVURJKSA-N 258.405 4.750 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)c1ccsc1 2093464050 ZNXHTILMGIPKND-QGZVFWFLSA-N 275.461 4.763 30 10 CJEE C[C@H]1[C@@H](CC2(C=O)CCC(C(C)(C)C)CC2)C1(F)F 2095395104 OSXIOQPRRAIGHZ-OYNVLQORSA-N 272.379 4.699 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccsc1OC 2095798549 UMBWIBFOCJYAJN-OAHLLOKOSA-N 281.465 4.934 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](c1ccccc1)C(F)(F)F 2096547670 WQABDTHYVVPYED-GXTWGEPZSA-N 271.326 4.624 30 10 CJEE N#CC1(CCN2CCCCCC2)CCCCCCC1 2098830641 QYXLCXVDUSRYHR-UHFFFAOYSA-N 262.441 4.507 30 10 CJEE CCCCCCCCCCC[C@H](N)CN(CC)CC 2099481827 YONBYEAQQODDBE-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cccc(Cl)c2C#N)CC1 2103208569 SPDWAOHPRLVWCJ-QWHCGFSZSA-N 276.811 4.982 30 10 CJEE CN(CCCCCS)Cc1cc2c(s1)CCCCC2 2103228177 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CCCCC#CC[C@@H](CCCC(F)(F)F)NCCC 2229872124 HTUVFPWDSPNAMF-AWEZNQCLSA-N 277.374 4.671 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CCC(=N)N 2231016220 AYHKLVNVYOIAMD-HNNXBMFYSA-N 270.461 4.638 30 10 CJEE CCCCCCCCCCCO[C@H]1CCC(=O)[C@H]1C 2231017493 FGDGPBIUHPJXHS-WBVHZDCISA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCO[C@](C)(C(=O)O)C(C)C 2231020064 RMTMLYLCHHDJHU-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](N)C1(CC)CC 2231027997 YUQCIRXYQXEBPH-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCCCOC[C@H](N)[C@@H](C)CC 2231074894 WAFQSMWIIRBWLV-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@H](C)CCC 2231844838 GJQFCHWJNVWMOT-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@](C)(CN)N(CC)[C@@H](C)CC 2231847534 SNNAJDDSKXAUTA-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@]1(CCC)CCCCN1 2235522319 SMIPVHXZAMREQT-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@](C)(O)C(C)C 2235526868 PCXACROQSMDDGV-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]1(O)CCC[C@H](CC)C1 2235532656 MQOQZPQQVKQVBE-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCOC(C)(C)C1 2235534217 GEMXARMKWBHOAJ-KRWDZBQOSA-N 281.484 4.650 30 10 CJEE CCCCCCC[C@@](C)(OC[C@@H]1CC=CCC1)C(=O)O 2236081361 YRBYWYIGVFAKBN-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1CC[C@@H]1OC 2236143179 OHUCOASNAUWJGY-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE Cc1c([C@H](C)NCC#CC(C)(C)C)sc2ccccc12 2238716489 WZGKWGJXXOKFQU-AWEZNQCLSA-N 285.456 4.910 30 10 CJEE CCCCCCCCCOC[C@H]1C[C@@H]1CNC(C)(C)C 2239461702 GCUVRDUSEVZSJN-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCCO[C@H](CN)c1ccco1 2239487964 VSNRKLDGYIBGFN-QGZVFWFLSA-N 281.440 4.827 30 10 CJEE CCCCCCCC[C@@H](C)N1CCCC(C)(C)[C@H]1CN 2240575855 UMWQHVDZTGONOH-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccccc1COC 2240622310 RSBICNBCIUIVBT-SFHVURJKSA-N 278.436 4.791 30 10 CJEE C=C([C@@H](NC)[C@@](C)(O)CCCCCCCC)C(C)(C)C 2240647048 DTNYTRIFSZRFBA-AEFFLSMTSA-N 283.500 4.678 30 10 CJEE C=C(CC)CC(=O)c1sc(Cl)cc1Br 2242102306 XIOVOCSACIBZOT-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE Cc1cc(Br)ccc1S[C@@H]1CCC[C@H]1C#N 2243784001 ADRKBOQTVCBZDL-GXFFZTMASA-N 296.233 4.542 30 10 CJEE CC1CC(CS)(CSCc2ccccc2Cl)C1 2246845711 UCTZXCCBLWHXNT-UHFFFAOYSA-N 286.893 4.919 30 10 CJEE C=C1C[C@H]1C[C@@H](N)c1cc(Br)cc(C(C)C)c1 2247236726 HEXZIAVFOAYFHF-SWLSCSKDSA-N 294.236 4.539 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1cc(Cl)c(Cl)cc1C 2248781773 JAEBWSLVVNZJGS-XPTSAGLGSA-N 272.219 4.775 30 10 CJEE FC(F)(F)C1(CSCC2(CS)CCC2)CCC1 2251781140 DDDGOTRHLLHBLC-UHFFFAOYSA-N 284.412 4.552 30 10 CJEE C=CCCCS[C@@H](c1ccc(Cl)cc1)[C@@H](N)CC 2259007475 MHGFUYPPBPQWLG-GJZGRUSLSA-N 283.868 4.818 30 10 CJEE CCCCCCC[C@@](C)(CCC(C)C)OCCN 2262580093 NXXKHZDFKIYFMV-INIZCTEOSA-N 257.462 4.517 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(C(F)(F)F)s1 2263308660 VVUVPRQXGOKIRH-JTQLQIEISA-N 277.355 4.903 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccoc1 2263718680 TVHXJAPQFRTUSY-OAHLLOKOSA-N 251.414 4.898 30 10 CJEE CCCC[C@H](CC)CSc1ncc(C#N)cc1Cl 2263722573 JMMZCAUPUIWOHX-NSHDSACASA-N 282.840 4.915 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@H]1CCC[C@@H](C)C1 2265038064 KPFFRKBCMBZVCR-DDBAPUKQSA-N 261.453 4.776 30 10 CJEE C=C1CC(C[C@H](C[C@@H]2CCCC23CC3)NCCC)C1 2266597543 SKEJIRIYJCRRMS-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CC1=C[C@H](C)C[C@@H](C(=O)CC=CC#CC(C)(C)C)C1 2268765517 HOTNRLWXYAWLNF-GOEBONIOSA-N 258.405 4.544 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CCC[C@@H]1C(F)F)NCCC 2270076694 NGVQEBWTAYPGBY-XQLPTFJDSA-N 273.411 4.638 30 10 CJEE C=CCCCCCCCSc1ccc([C@@H](C)N)nc1 2271503729 VJFMRDAOAFTZTB-CQSZACIVSA-N 278.465 4.720 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@]23CCC[C@@H]2CC3)C1 2273495588 ZRZGYESIECUPKY-QAPCUYQASA-N 261.453 4.681 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cccc(Cl)c1 2273988380 BPMVTHXRWLNRRA-KRWDZBQOSA-N 275.823 4.574 30 10 CJEE C=C(C)CC[C@](CC)(CCCCC)OCCC(=O)O 2275332131 VARMRAINDNZJMR-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@@H](CCCC(C)C)OCCCN 2276902702 QTKBSQYLAADEBB-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CC[C@H](C)[C@H](CCCCCCCC)OCCCN 2277337711 YYNVTDFZUVBVEF-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](CCCSC)OCCCN 2277376589 DZUAPIMGZNCOEW-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2279660535 GUDOQGXXOWUVFD-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCc1ccc([C@H](C#N)Nc2ccccc2Cl)cc1 2283544474 VFQLLNYPFSVJPU-KRWDZBQOSA-N 284.790 4.969 30 10 CJEE CC(C)C(C)(CNC[C@@H](C#N)C1CCCCC1)C(C)C 2283868393 FZBVVYDTAGEUDJ-QGZVFWFLSA-N 278.484 4.614 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)C[C@@H]2CCCC[C@@]2(C)C1 2284076738 NIFKYVWZQNIMGA-WDSOQIARSA-N 274.448 4.704 30 10 CJEE C[C@H]1C[C@H]1c1ccc(C(=O)CC=CC#CC(C)(C)C)o1 2284091274 XHZQVRNTGWERRC-UONOGXRCSA-N 270.372 4.582 30 10 CJEE C=CCCCCCCCSCCOc1cccc(N)c1 2287096016 GOBVWXGPJIQULA-UHFFFAOYSA-N 293.476 4.907 30 10 CJEE C=CC1(C[C@H](NCCC)C2CC3(CC(C)C3)C2)CCC1 2287840169 LNILDDQJRFOVGN-RFSHTEQGSA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCO[C@@H](C)CNCCC(C)(C)C 2288123951 DFZOBMDAOUSBHV-KRWDZBQOSA-N 283.500 4.944 30 10 CJEE C#CC1(NCC2CCC(C)(C)CC2)CC2(CCCC2)C1 2288190772 ITOPVVQOGXAJAU-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H](CC(C)C)C(C)C 2289672023 MRGOIZZJXNQRSW-RBUKOAKNSA-N 277.496 4.867 30 10 CJEE O[C@]1(CC#CC2CCCC2)CCCC2(CCCCC2)C1 2289903411 BOBFGYRCXUDOSX-LJQANCHMSA-N 274.448 4.826 30 10 CJEE C#CCCCCCN(C)Cc1cccc(C(C)(C)C)c1 2290195496 WKYXBCDYWLRHNC-UHFFFAOYSA-N 271.448 4.610 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@@H](C)[C@H](C)CC 2290639116 VZECJPKGATWAGD-PMPSAXMXSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1C)OCCC(=O)O 2290767261 YDOKSKFDVWUULU-HRCADAONSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)C(C)C)OCC(=O)O 2292415665 YXHZTWWMKWHWQP-JKSUJKDBSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCCC[C@]1(OCC(=O)O)CC[C@@H]1C 2292485556 KIQDRWUSZAJADJ-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@H]1CC=CCC1 2292785629 WBLSASOHIDEZFA-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE C=C(Cl)C[C@@]1(OCCCN)CCCCC12CCCCC2 2292903430 QIONNBGSCGCNFR-KRWDZBQOSA-N 299.886 4.758 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1cc(C)ns1 2293240655 NQUFNLFOUAPITG-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C=CCCC1)OCCCN 2294127900 IRHDMEYSLWDVBM-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCC[C@@H](CC)CC1 2294275433 MLYYLTPJNGSYDH-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C([C@@]1(OCCCN)CCCCCC1(C)C)[Si](C)(C)C 2294331222 PORZPDOGHIALJI-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE C=CC[C@H](C)[C@H](OCCCN)C(C)(C)C1CCCCC1 2294535139 IJZAXTMGJNMODD-RDJZCZTQSA-N 281.484 4.539 30 10 CJEE N#C[C@@]1(c2ccc3cc(Cl)ccc3n2)CCCC12CC2 2294976864 NTBWLCMESPDYJX-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE C#Cc1ccc2c(ccn2CCC(C)(C)C(F)(F)F)c1 2295168739 ZHSOGRPEXAPCDY-UHFFFAOYSA-N 279.305 4.601 30 10 CJEE CC=C(C)[C@@H](NCC)[C@@](C)(O)CCCCCCCCC 2295677488 CHJIVTHEJQKWHV-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CC=C(C)[C@H](NCC)[C@](C)(O)CCCCCCCCC 2295677491 CHJIVTHEJQKWHV-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1CCOC1(C)C 2295684500 MTHUYBDFNLOJLU-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE Cc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1 2297735133 CZSBCKPLKNJNEH-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE CCCCCCCC[C@]1(C)C[C@H](N)C[C@@H](C)S1 2298946079 DVUSPUULAQCHRN-RBSFLKMASA-N 257.487 4.739 30 10 CJEE C=C(CC)C[C@H](N)CCc1cc(Cl)cc(Cl)c1 2302363454 MFOHHHUUIJSJFQ-CQSZACIVSA-N 272.219 4.610 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2302834958 AQKSOEHVWCUOAD-TVQRCGJNSA-N 290.621 4.874 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(Br)c1C 2304086056 LSQSDVWFXDMJIE-OAHLLOKOSA-N 295.220 4.933 30 10 CJEE C=C(CC)C[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2307677738 NLLQKUODADCVQD-AWEZNQCLSA-N 273.203 4.866 30 10 CJEE CC(C)C[C@@H](CS)CSC1CC2(CC(C)C2)C1 2308060322 OVTAYJOPGLWTIW-IBLUKRHDSA-N 272.523 4.890 30 10 CJEE C=CCCc1cc(C(F)(F)F)ccc1C(F)(F)F 2315341258 QWVPWDDJPZTVFM-UHFFFAOYSA-N 268.200 4.843 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H](CC)CCC 2316714891 KNKXIRPVIVBEGI-DOTOQJQBSA-N 251.458 4.949 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1CCCC1)NCC 2321145481 QECMHXZNYOWPPB-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CCC[C@H](OCC2(CS)CC(C)(C)C2)C1 2321741845 SBIKXKJOPLZEGP-KBPBESRZSA-N 270.482 4.708 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](N)c1ccc(C)cc1 2335096881 RSTSBVVCVOPPDS-WMLDXEAASA-N 275.461 4.637 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)c(Cl)c1CNC 2335236634 YRRBLUHLLGISKM-UHFFFAOYSA-N 299.842 4.811 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2cscc12 2335975035 BRRSIRDGHVSJRA-SNVBAGLBSA-N 296.823 4.858 30 10 CJEE C=CCCCCCCCC[C@]1(C=O)COCC1(C)C 2336150949 NLYLHSIOHYMGOB-KRWDZBQOSA-N 266.425 4.535 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC1CCC(CCC)CC1 2337154754 GLHMMZDLYAHQSZ-HIEASXQVSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCN[C@@H](CC)[C@@H]1CCCCO1 2337284494 BOZOHUITZMVKIK-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCC(C)C)OCCN 2337649420 ULQODNRZBLNKGW-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C1C[C@@H]1CNC(C1CCCCC1)C1CCCCC1 2338272566 XARIZWFUKHBPGN-QGZVFWFLSA-N 261.453 4.681 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCCCCCCC1(F)F 2338701712 GRAXDQMGJLMCHB-OAHLLOKOSA-N 272.379 4.866 30 10 CJEE C=CCCC[C@@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCC 2338918765 RQQGOCHQZIJHNG-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCC[C@H]1CCC(=O)CC1=O 2339536302 JOMKGBZECNVUIV-HNNXBMFYSA-N 264.409 4.622 30 10 CJEE C=C(C)C[C@@H](N)c1ccc2oc3ccccc3c2c1 2341926388 LHJADEUKFALVGW-OAHLLOKOSA-N 251.329 4.552 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CC[C@H]1C1CC1)NCC 2342340862 SIORPOPKWUWCAO-SQNIBIBYSA-N 261.453 4.559 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C=O)CCCC(F)(F)C1 2343365648 FKAYICYLUFMPCR-GUTXKFCHSA-N 272.379 4.843 30 10 CJEE CC1=C(C)C[C@@H](C[C@@]2(C#N)C[C@H](C)O[C@H](C)C2)CC1 2343384063 KXKXWRDWOUECKA-VVLHAWIVSA-N 261.409 4.610 30 10 CJEE CC1=C(C)C[C@H](Nc2cc(Cl)c(F)cc2C#N)CC1 2343427459 WLFQMHCUUSNKJI-GFCCVEGCSA-N 278.758 4.652 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@@H]1CC1(F)F)NCC 2344375513 CRBDYMXCWUDDPL-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE CC(C)CCC[C@H](C)CCOC[C@@]1(CS)CC1(F)F 2351885908 QTNVKPAHGKNITA-UONOGXRCSA-N 294.451 4.811 30 10 CJEE C=CCC[C@@H](C)[C@H](N)C1CCC(CC(F)(F)F)CC1 2353643442 RMEMQZFPYMUHHU-RYSNWHEDSA-N 277.374 4.675 30 10 CJEE N#Cc1cnc2ccc(Oc3ccccc3)cc2c1Cl 19806980 GTHVFAKCUXPPJS-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#C[C@H](C(=O)c1ccsc1)c1ccc(Cl)cc1Cl 37346383 HCTSBTUSQVUITO-NSHDSACASA-N 296.178 4.545 30 10 CJEE CCc1ccc([C@H](C#N)Nc2ccc(Cl)cc2)s1 51719740 WKFACICARDWBEH-ZDUSSCGKSA-N 276.792 4.641 30 10 CJEE CC(C)c1cccc(OCC[C@H](C#N)c2ccccc2)c1 57684630 LRNJLJFGXRXXAE-GOSISDBHSA-N 279.383 4.886 30 10 CJEE CC(C)c1ccc(C[C@H](C#N)c2ccccc2F)cc1 57743992 DHXXHGUYDBLIQZ-MRXNPFEDSA-N 267.347 4.799 30 10 CJEE CCCCCCCNC[C@@H](c1ccccc1)N(CC)CC 59089227 HDBNSLSFPXIRBN-IBGZPJMESA-N 290.495 4.630 30 10 CJEE CC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)s1 71202151 AQLPIKIMQWLANL-FARCUNLSSA-N 262.761 4.671 30 10 CJEE CC1(C)CCC(Nc2cc(Cl)ccc2C#N)CC1 79623138 SVDOFCKCKVEEJM-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE Cc1c(OC(C)C)ccc(C(=O)/C=C/c2ccccc2)c1C 83193540 RKIWHSFPWYIAJA-ZRDIBKRKSA-N 294.394 4.987 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCC(C)(C)CC2)cc1 86914051 WKOGEKRRWYPJLL-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CCCC1CC(C#N)(Sc2ccccc2Cl)C1 90234071 BFUKEBNXWGGVCR-UHFFFAOYSA-N 265.809 4.905 30 10 CJEE CC(C)(C)[C@H](CS)CSc1nc2ccccc2o1 94589230 DERBNBBDPPJQEM-SNVBAGLBSA-N 281.446 4.512 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)cc1)NC 109722929 MPSFQCKGYFHTAX-MRXNPFEDSA-N 267.844 4.831 30 10 CJEE CCCCCCCO[C@@H](CNCC)c1ccc(C)cc1 110067727 FALSGIJMUIWFSN-SFHVURJKSA-N 277.452 4.633 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(Cl)cc2Cl)c1 110251656 DLOOCKKXBIACTK-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE N#Cc1c(Cl)cccc1O[C@H]1CCCc2ccccc21 110259994 DTQCGUCQIDKLQB-INIZCTEOSA-N 283.758 4.668 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)N)c(Cl)c1 112735230 CMIXZBXFBSXPGY-GFCCVEGCSA-N 269.816 4.709 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@]1(C)C(=O)O 112791592 AXRXZFJAQKMWRI-SFHVURJKSA-N 297.483 4.846 30 10 CJEE CCCCCCCCCCNC[C@]1(O)CCC[C@@H](C)C1 115638287 WRSPJSYUTPMLPN-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCCC(=O)Nc1ccc(N)cn1 115854536 XSYYKWWSVMQPOV-UHFFFAOYSA-N 291.439 4.523 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cncn1C 116804072 HAHNFYVAPFNTOK-QGZVFWFLSA-N 280.456 4.765 30 10 CJEE CCCCCCCCOc1ccc(C/C(C)=N/O)cc1 116924038 AYOSATHNXRZMCG-OBGWFSINSA-N 277.408 4.819 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(C)cn1)NC 117690477 ZWNSNCFVCGJFEK-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE C=C(CNc1c(F)cccc1Cl)c1ccccc1 122091285 KXLJXGWMMUAYLG-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE N#Cc1oc2ccccc2c1OCc1ccc(Cl)cc1 126033148 NLHFDQJMHHZYCL-UHFFFAOYSA-N 283.714 4.537 30 10 CJEE CCSc1cccc(N[C@H](C)[C@@H](C)CC)c1C#N 127014329 TUJZKTJSOXQLIE-NWDGAFQWSA-N 262.422 4.517 30 10 CJEE CCCCCCCC[C@H](CCC1CCCC1)NN 130337219 HUZZCSAXIQCENE-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CC(C)(C)OC1(C)C 133206853 PBYXKDGDEUZGBI-CABCVRRESA-N 269.473 4.658 30 10 CJEE CCSc1cccc(N2CCC[C@H](CC)CC2)c1C#N 136671001 SRJMHPWPTQMNQD-AWEZNQCLSA-N 288.460 4.687 30 10 CJEE CCCCCCCOc1cc(OC)ccc1[C@@H](C)NCC 138501968 OBSWILJZELYGIT-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCCCCCCCC[C@@H](Nc1ccccc1)C(=O)O 139876377 LEJBFVDCUQQCGQ-MRXNPFEDSA-N 277.408 4.692 30 10 CJEE C=C(C)CC[C@@H](NCC)c1sccc1Br 156928110 RCWJCUVEPVYDBE-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](CC)OC 158209022 XSBJOYDGNSBZOT-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1nc(C(C)(C)C)cs1 158920594 NKRKVHIABLKAOG-KRWDZBQOSA-N 294.508 4.564 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCCCCCC2)c(C)s1 158986600 UWZHEQRMWMGKNI-HNNXBMFYSA-N 277.433 4.653 30 10 CJEE C=CC[C@H](C)N[C@@H](c1ccccc1)c1ccccc1C 162608336 VCLJEUNJTFNBAE-LPHOPBHVSA-N 265.400 4.639 30 10 CJEE CC(C)(C#N)CCCSc1ccc(O)c2ccccc12 163417596 WJYPEQWIMNNDEU-UHFFFAOYSA-N 285.412 4.967 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ncc(C)cn1 164850936 BJKCMPBVLVRMEO-INIZCTEOSA-N 277.456 4.576 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCCC[C@@H]1C(C)C 215030928 ADRRSGBARNNHIN-QZTJIDSGSA-N 287.447 4.556 30 10 CJEE CCCN[C@@](C)(C#N)CCCCS[C@H]1CCC[C@@H](C)C1 226544922 ZXELIGDCGRGEMT-IXDOHACOSA-N 296.524 4.750 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 228818044 BDVLFZUJXDUKPH-GFCCVEGCSA-N 271.408 4.627 30 10 CJEE CCCCCCC[C@H](NCCC)C1[C@@H]2CCC[C@@H]12 228995596 NWIQWXPTUOCQKJ-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@H](O)c1cnc(C)s1 232940042 WUCFQTIVGXNNKR-ZDUSSCGKSA-N 255.427 4.626 30 10 CJEE C=CCCCCCC(=O)c1cccc(F)c1Cl 236184445 QYCNSVQNWQURAS-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCCc2sccc21 236536216 DMYCPSKCCDCOAM-HIFRSBDPSA-N 264.434 4.665 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CCCCC[C@H]1C#N 251790206 VPIWSAJUNPTTOK-UKPHBRMFSA-N 290.838 4.805 30 10 CJEE COc1c(C)ccc([C@H](CC#N)C2CC2)c1C(C)C 260818446 IGOAOLOFVMJZDO-CQSZACIVSA-N 257.377 4.534 30 10 CJEE CC[C@H](C#N)c1cc(Br)cc(C(C)C)c1 260899183 QSDBYXBWGPGQMF-SNVBAGLBSA-N 266.182 4.590 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccc(Br)cc1 304559717 VOWSRXVTCIWWMH-BXUZGUMPSA-N 280.209 4.738 30 10 CJEE C=C([C@H](NCCC)[C@@H](CCC)CC(C)C)C(F)(F)F 308041545 BOHQLBPOUAOYEK-KBPBESRZSA-N 279.390 4.936 30 10 CJEE C=C([C@H](NCCC)[C@@H](CC)CC(C)C)C(F)(F)F 308090457 GGINLMNRPISBLY-STQMWFEESA-N 265.363 4.545 30 10 CJEE CCC(CC)(c1ccccc1)[C@H](O)CC#CC(C)(C)C 312291418 KOULAAIUBHVZKZ-QGZVFWFLSA-N 272.432 4.545 30 10 CJEE N#CC1([C@H]2CCO[C@]3(CCSC3)C2)CCCCCCC1 312451194 CNJLSBGJVAFFIB-DOTOQJQBSA-N 293.476 4.543 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccccc21 312613440 VLMSAMHCFNEVGH-PIGZYNQJSA-N 282.774 4.872 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc3ccccc3n2)C1 312712116 GCLZXPZZFCIXQB-IVMMDQJWSA-N 282.412 4.655 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(C)c(C)n1 316895548 ROHDBZRAIJBIRM-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE CC(C)C1CCC(C=O)(Cc2cc(F)ccc2F)CC1 317244486 OHMSBIXPJVYRKW-UHFFFAOYSA-N 280.358 4.539 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCOC[C@H]1C 380323339 ZUKNJEZPVNEJGB-KURKYZTESA-N 283.500 4.778 30 10 CJEE CC1CCC(C#N)([C@H](O)C2CCC(C(C)C)CC2)CC1 380424216 YFBAXUJSPOPGMC-AWDGRILASA-N 277.452 4.530 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@@H](C)C2CCCCC2)CC1 380772651 QQUIVJIVLLRTRV-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE C=CCC(C)(C)CN[C@H](CC(F)(F)F)c1ccccc1 384024508 QHHYEQWQNFSMMW-CQSZACIVSA-N 285.353 4.872 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1[C@@H]2COC[C@@H]12 385741703 ZRNZOIDUURTZJK-ZACQAIPSSA-N 282.468 4.551 30 10 CJEE C=CC[C@H](CCC1CCCCC1)CNC(C)(C)C 387174539 NMFYRLJJFPCQDP-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C[C@H](/N=C1/N[C@H](C(C)(C)C)CS1)c1ccccc1Cl 394007670 NOYYKXFQCFEBDV-GWCFXTLKSA-N 296.867 4.508 30 10 CJEE CCCCCCC[C@H](NN)c1ccsc1C(F)(F)F 394958397 HPGMDNPUUYWDQV-NSHDSACASA-N 294.386 4.632 30 10 CJEE CCCCCCCCC[C@@H](O)COCc1ccccc1 395478489 GDWXMRQLOBSUPY-GOSISDBHSA-N 278.436 4.705 30 10 CJEE CCC[C@](C#N)(Nc1ccc(Cl)cc1)[C@@H]1CC1(C)C 397679903 JZSWFNMBGZFRMD-GDBMZVCRSA-N 276.811 4.860 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)C1(C#N)CCCCCCC1 397726828 VFZAFWVDAUMVNS-QAPCUYQASA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@]1(C)C[C@@H]1F 399263849 DIZSJASYWRBYKM-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1CCCCC1(F)F 400491172 CQPZREOAWUMYEE-LSDHHAIUSA-N 273.411 4.640 30 10 CJEE CCCCCCCCCCC[C@@H](N)C[C@H]1CCOC1 400932202 JJDUSIKUBLUXIY-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C=C(C)CC[C@H](NCC(C)C)[C@H](C)c1ccccc1 405583748 HARIQVHDPKPIHX-AEFFLSMTSA-N 259.437 4.761 30 10 CJEE C=CCCc1ccccc1NC(=O)Nc1ccccc1C 505000264 BMYHXUOJRFYXDA-UHFFFAOYSA-N 280.371 4.758 30 10 CJEE CCSc1ccc([C@H](C)Nc2cc(C#N)cc(C)n2)cc1 587866711 PCXVKWHWGPVGKR-ZDUSSCGKSA-N 297.427 4.547 30 10 CJEE CCC(C)(C)[C@@H](C)/N=C1/NC2(CCCCC2)CCS1 687320887 BHWFQAHCGAKFFF-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE CCc1cc(Nc2ccc(Cl)cc2C#N)ccc1F 690114944 UUZBUFIJVGQFCS-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE C=CCC1(Nc2nccc3ccccc23)CCCC1 690792176 SRCPNUZLQLWFKG-UHFFFAOYSA-N 252.361 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](CC)c1ccccc1O 692215302 OOFFAKZXURZEBN-PVAVHDDUSA-N 273.420 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(F)c1F 692235215 QDBVZFHMLHSCFE-XJKCOSOUSA-N 279.374 4.750 30 10 CJEE CCCCCCCCCC[C@]1(C=O)CCOC1(C)C 693330063 AGYINBFDEWKJIE-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCC 698111360 ZREXSWFQJBUFJK-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](Cc1csc(C2CC2)n1)NC 698892108 FSWZMODPWOQFAS-CQSZACIVSA-N 280.481 4.512 30 10 CJEE CCCCCCC[C@H](C)NCc1csc(C2CC2)n1 708202764 RTYQTBDTPOKOMM-ZDUSSCGKSA-N 280.481 4.859 30 10 CJEE CCC(C)(C)CC[C@]1(C#N)CCc2ccccc2C1 711259077 ZHVHUWKUIFCCRW-GOSISDBHSA-N 255.405 4.902 30 10 CJEE C1CCCC(C/N=C2/NC3(CCCCCC3)CS2)CC1 713266229 VMBMDVYPPZKZLD-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C2CC2)s1 716529887 AGQYAUMKABRPAE-ZDUSSCGKSA-N 251.439 4.986 30 10 CJEE C[C@H](OC[C@@H](CS)C(C)(C)C)C1CCCCC1 719741794 CBUVJWYCBVWRNB-JSGCOSHPSA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccnn1C1CCC1 724437378 GNOJWYHMTNIZCC-MRXNPFEDSA-N 277.456 4.619 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(SC)cc2)CC1 724443355 QAHITJIYISITLN-CQSZACIVSA-N 275.461 4.806 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CCC[C@H](C)C2)CC1 724593069 XFCMOTAIUVPOEJ-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE CSc1c(CC#N)ccc2c(C(F)(F)F)csc12 725315931 BWAJTWCYVBRUBX-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCCCC(=O)N1c2ccccc2[C@H](C)CC1(C)C 1127574478 AJMUQVSRTPKUNG-CQSZACIVSA-N 271.404 4.662 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCCc2c(Cl)cccc21 1127831628 KKPHWZWLKYUAAM-ZDUSSCGKSA-N 291.822 4.612 30 10 CJEE C=CCCCCCCNC(=O)c1cc(Cl)ccc1C 1128748795 SFRFAOGVTYZXEK-UHFFFAOYSA-N 279.811 4.515 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CCCC1 1131111253 BTXRYXKKVGSZMM-DLBZAZTESA-N 291.479 4.846 30 10 CJEE C=C(C)CN(C)C(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1131454896 OWKLYXPDZUEOOL-MSOLQXFVSA-N 299.458 4.631 30 10 CJEE C#CCN(Cc1cccc(C(C)C)c1)C1CCCCC1 1167273914 UNOIGUJWRZARBI-UHFFFAOYSA-N 269.432 4.578 30 10 CJEE C=C(C)c1cccc(NCc2c(C)nn(CCC)c2C)c1 1179748130 YPBMIWNKNXKBAK-UHFFFAOYSA-N 283.419 4.555 30 10 CJEE C=C[C@H]1CCCCN1c1nc2cc(Cl)cc(Cl)c2o1 1186316476 VCSKBOKCWAYBQA-JTQLQIEISA-N 297.185 4.680 30 10 CJEE CC#CCCN[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1205136739 HWOCZQJXTUJAQT-XJKSGUPXSA-N 296.241 4.633 30 10 CJEE C=C(C)CCN[C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 1205882306 KPTJUWIQBRRWNZ-CJNGLKHVSA-N 297.364 4.686 30 10 CJEE C#CCCCCCC(=O)N[C@@H](CCC(C)C)C(C)(C)C 1265196559 MFOAKJYZNVTTLD-INIZCTEOSA-N 279.468 4.537 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cccc2ccccc12 1288553082 WOICLFMZLZIMGX-UHFFFAOYSA-N 281.399 4.562 30 10 CJEE C=CCCCCCCCNCc1ccc(F)c(F)c1F 1308426104 NPBOXECMFYUELK-UHFFFAOYSA-N 285.353 4.720 30 10 CJEE C=C(CC)CN[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1308819222 ZIDZHXPAYYARMS-NVXWUHKLSA-N 277.839 4.922 30 10 CJEE C#CCC1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCCCC1 1348404868 JJXFSSCKSYUAFJ-UHFFFAOYSA-N 297.442 4.896 30 10 CJEE C=C(C)CCN1Cc2ccccc2C[C@@H]1c1ccccc1 1459787852 MOUFMRJSOMFEMA-HXUWFJFHSA-N 277.411 4.752 30 10 CJEE C=CCCCNCc1ccc(-c2ccc(F)cc2)s1 1461482393 FFXGBALSPXWKQZ-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(C2CCC2)cc1 1476499650 IIFYCUPKCKEDDU-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CCCCCNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 1523751014 LGWHNIVYAHBTOG-MRXNPFEDSA-N 293.838 4.552 30 10 CJEE C=CCC1(C(=O)OCc2csc(C)c2)CCCCC1 1524274118 YNBVUBCVLQEBRP-UHFFFAOYSA-N 278.417 4.626 30 10 CJEE C=CCC(F)(F)C(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1524860578 XAQWUKPSKAUBJE-LSDHHAIUSA-N 294.341 4.626 30 10 CJEE C=CCC1(CNC(=O)c2cscc2C(F)F)CCCC1 1532544092 PYQKGOGMOIBPFQ-UHFFFAOYSA-N 299.386 4.552 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1CCc2cccc3cccc1c23 1538236397 YEMONJKEKFXEMB-YLJYHZDGSA-N 293.410 4.546 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1539390804 YFMGXHDLBNXIDT-QGZVFWFLSA-N 285.431 4.516 30 10 CJEE C=CCN(C(=O)C(CC(C)C)CC(C)C)C(C)(C)C 1539411006 BVGNYDQYWNGIKW-UHFFFAOYSA-N 267.457 4.508 30 10 CJEE N#Cc1cccc(OCCCSCC2CCCCC2)c1 1559363716 DIFGKJOPILGRQK-UHFFFAOYSA-N 289.444 4.641 30 10 CJEE C#Cc1cccc(NCc2ccc(-c3ccccc3F)o2)c1 1560415707 YBHZBTSRBQUHHW-UHFFFAOYSA-N 291.325 4.679 30 10 CJEE C#CCC1(N[C@@H]2CC[C@](C)(c3ccccc3)C2)CCCCC1 1561020880 TYICXCDUZSLWCV-UXHICEINSA-N 295.470 4.813 30 10 CJEE C=CCCCCNC(=O)N(C)C1CC(C)(C)CC(C)(C)C1 1564604977 GBYMPBQFRPBBOM-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CCC1(NC(=O)N[C@H](C)C2CCCCC2)CCCCC1 1564957687 XJSCBVRKFDLREV-OAHLLOKOSA-N 292.467 4.533 30 10 CJEE C=CCC1(NC(=O)c2csc3ccccc23)CCCC1 1586372069 XSJRMURRVYDKFY-UHFFFAOYSA-N 285.412 4.520 30 10 CJEE C=C(CNC(=O)C[C@H](C)CCCCCC)c1ccccc1 1596357556 VKMDEHVUYHILCM-MRXNPFEDSA-N 287.447 4.813 30 10 CJEE C#CCCOc1ccc(CN[C@@H](C)CC2CCCCC2)cc1 1620925114 ZYKJBWGBDNCLQF-KRWDZBQOSA-N 299.458 4.537 30 10 CJEE C=CCC[C@@H](CCC)Nc1cc(C)c(C)cc1OC 1621436409 ARFDXEYMBKRQOE-OAHLLOKOSA-N 261.409 4.859 30 10 CJEE C=CCCCN(CC)Cc1ccc(C(F)(F)F)s1 1621553768 AAQOYXUOMMPODG-UHFFFAOYSA-N 277.355 4.555 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc2ccccn2c1 1641930967 FYVLCFUJQJNKOD-UHFFFAOYSA-N 298.430 4.586 30 10 CJEE C/C(=C\Cl)CSCc1c(C)cc(C#N)cc1C 1643880361 XKKNZWNAEJDBJI-UXBLZVDNSA-N 265.809 4.551 30 10 CJEE C=C(CC)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1645044303 IFABAVZEXPCDIL-VBNZEHGJSA-N 263.812 4.593 30 10 CJEE C=CCCC(C)(C)NCc1cccc(-c2cccnc2)c1 1651364339 ZYDAQNSCGTYADF-UHFFFAOYSA-N 280.415 4.583 30 10 CJEE C=CCN(CC=C)Cc1cc(Cl)cc(C(F)(F)F)c1 1652044644 VLRRQIIBDOYZOT-UHFFFAOYSA-N 289.728 4.533 30 10 CJEE C=CCCCCCN(C)[C@H](C)Cc1ccc(C)cc1 1653416411 RTUDTDMVPWGNFS-QGZVFWFLSA-N 259.437 4.604 30 10 CJEE C#Cc1ccc(CN2CC[C@@H](C)C[C@H]2c2ccc(C)o2)cc1 1657252833 WQHLRDAHQSBXNZ-BEFAXECRSA-N 293.410 4.543 30 10 CJEE C#CCCCCCCN[C@@H](CC(C)C)c1ccccc1 1657975929 NFIMESYLJJJSFH-IBGZPJMESA-N 271.448 4.947 30 10 CJEE C=CCn1ncc2ccc(NC[C@@H]3C(C)=CCC[C@H]3C)cc21 1658082875 QACXYEFMZUIUGO-CRAIPNDOSA-N 295.430 4.627 30 10 CJEE C=CCC[C@@H](CC)NCc1ccccc1CC(F)(F)F 1658673141 VUINCLUVPCOFMF-OAHLLOKOSA-N 285.353 4.626 30 10 CJEE C=C(C)c1cccc(NCc2ccc(C)cc2OC)c1 1658721243 RKUYMKHTKWVPJU-UHFFFAOYSA-N 267.372 4.649 30 10 CJEE C(#Cc1ccccc1)CN1Cc2ccccc2-c2ccccc21 1660149483 XPERAJMAVGJJEB-UHFFFAOYSA-N 295.385 4.725 30 10 CJEE N#CCCCSc1nc(-c2ccc(Cl)cc2)cs1 1860799219 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2298816703 JZVLRMUWGKTHDX-SOUVJXGZSA-N 258.471 4.772 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1cccc(Cl)c1Cl 2298817338 QWKMIAZYOWLZIF-CABZTGNLSA-N 290.259 4.691 30 10 CJEE C=CCC(CC=C)Nc1ccccc1C(F)(F)F 2313521849 CJDOLOVNHBPHSK-UHFFFAOYSA-N 255.283 4.638 30 10 CJEE CC(C)C1CCC(C=O)([C@H](C)CC2CCC2)CC1 2313673368 QHTDXLGNLSBYHK-ODIFPOPNSA-N 250.426 4.844 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)c1cc(Cl)cs1 2316458799 PGWNBSMSUHKNQF-ZDUSSCGKSA-N 295.860 4.555 30 10 CJEE C=C([C@H](NCC)c1cc(OC)c(Cl)s1)C(C)(C)C 2317938564 KHSAHIXFSNLTNW-LBPRGKRZSA-N 287.856 4.663 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C 2320102658 FLQBZWJCRDIEGY-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)SC1(C(=O)O)CCCCCCCC1 2327027762 JFMTXIGQFVQDRO-ZDUSSCGKSA-N 270.438 4.642 30 10 CJEE CCCCCCCC(=O)c1cncc(C(F)F)c1 2328276662 WJZBEZSFCLYFAD-UHFFFAOYSA-N 255.308 4.562 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(F)cc1SC 2328528929 FUCCSHAJDJBXJH-CYBMUJFWSA-N 287.831 4.731 30 10 CJEE C=CCC(CC=C)N(C)Cc1cc(C)cc(C)c1C 2338729658 IHMUTGUOSLKTQJ-UHFFFAOYSA-N 257.421 4.564 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1CC(=C2CC2)C1 2338740949 JZIDVDQPUXFXBV-SFHVURJKSA-N 259.437 4.623 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338743716 IEYJYLDQTJOMRF-SGMGOOAPSA-N 268.347 4.518 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2338746088 BYWRVUUFKVOVOR-BZZMCLGOSA-N 261.453 4.559 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(F)cc1C1CC1 2339203999 BQSFJVMFDXJXLB-KRWDZBQOSA-N 261.384 4.710 30 10 CJEE C#Cc1ccccc1N[C@H]1CCCCC[C@@H]1C(C)C 2339906813 AKBUGZDRWHONPR-AEFFLSMTSA-N 255.405 4.685 30 10 CJEE CO[C@@H]1C[C@](C#N)(CCCC2=CCCCC2)C1(C)C 2341012427 DOFWDIIZDVFNBX-WBVHZDCISA-N 261.409 4.612 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CC[C@@H]2C2CC2)NC)CC1 2342274913 XGEPKCFVVSRWJP-KZNAEPCWSA-N 261.453 4.537 30 10 CJEE CC[C@@](C)(C=O)C[C@@H](c1ccccc1)C1CCCC1 2342481396 IDJHQMOGFOMSCR-ZWKOTPCHSA-N 258.405 4.966 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CC2)NC 2344350152 ZGXZNOVCQYBDBQ-ATIWLJMLSA-N 261.453 4.559 30 10 CJEE C=CCC(C)(C)[C@H](CCC(C)(C)C(F)(F)F)NCC 2344381753 VULFAOAVFXNDPS-LBPRGKRZSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccccc1C1(C)CC1 2344466091 FQMITEWCOXTKGE-IAGOWNOFSA-N 258.405 4.764 30 10 CJEE CC1(C)CC(CS)(CN2CCC23CCCCCC3)C1 2345004895 QXEAHHWRNHXBBX-UHFFFAOYSA-N 281.509 4.521 30 10 CJEE C=CCCCCCCCNC1(C(F)(F)F)CC(F)C1 2351637940 MMAPYEQTQQPUOO-UHFFFAOYSA-N 281.337 4.536 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H]1CCC[C@@H]2C[C@H]12 2354325176 QCMGPKVEQQFSLI-ZACQAIPSSA-N 297.552 4.871 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CC[C@H](C[C@@H]1N)C2 2354521367 HBYIYUGFJYVOBC-RYRKJORJSA-N 279.468 4.604 30 10 CJEE C[C@](C#N)(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 2354852696 YIBCQMCINSWDAN-DRPJVOAASA-N 275.342 4.539 30 10 CJEE SC[C@@H](COC[C@@H]1C[C@H]1C1CCCCCC1)CC1CC1 2357871372 XDVXGGSCNNUYPD-NJAFHUGGSA-N 296.520 4.956 30 10 CJEE CCCCCCCCC[C@@H](C)N1CC[C@@H](C)[C@@H](N)[C@H]1C 2360174301 FIZAFYWXOGPLHS-BRSBDYLESA-N 282.516 4.573 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(C)c(OC)c(Cl)c2)CC1 2360217411 NVSUFQOLUBRYSI-LBPRGKRZSA-N 292.806 4.976 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(CC)c(CCC)s1 2360323551 JBYCVIFMEDNJTB-UHFFFAOYSA-N 292.444 4.941 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)s1 36973190 MVGHNWVANBYUGG-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cccc(C(F)(F)F)c1 37938004 KVKOEMPDOFMFEP-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE CCCCCCCCC(=O)Nc1cc(Cl)ccc1O 44324126 PJSYQOFXRSZCQX-UHFFFAOYSA-N 283.799 4.735 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@@](C)(C#N)NC(C)C 45323937 GDBWEYRVABRQKD-MSOLQXFVSA-N 296.499 4.812 30 10 CJEE N#C[C@H](CCOc1ccccc1Cl)c1ccc(F)cc1 57685743 NUDBZQRMOUFBKU-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CC(C)(C)c1nc2cc(Cl)c(Cl)cc2n1CCC#N 57804974 YISWQRVZUDXNRX-UHFFFAOYSA-N 296.201 4.554 30 10 CJEE CCCCCCC[C@H](C)NCC1(N(C)C)CCCCC1 59090020 SAOZGKLTXJUMRD-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCSc1c(N)cccc1Cl 59192880 PATAEYCGLUGNSY-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(N)=O)c(Cl)c1 59469331 YGUVJVBBSMUHQR-GFCCVEGCSA-N 296.842 4.600 30 10 CJEE CC(C)Cc1nc(C#N)cc2ccc(C(C)(C)C)cc12 77259027 OXBHCGLGCXGSET-UHFFFAOYSA-N 266.388 4.602 30 10 CJEE N#CCc1sc(CSC2CCCCC2)nc1C1CC1 82436155 WGCNLXLBTMNBGS-UHFFFAOYSA-N 292.473 4.652 30 10 CJEE CC1CCC(C#N)(Cc2ccc(F)cc2Cl)CC1 87930607 ZYJHDRNHIWEPHK-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE C=CCCCC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94546953 PWMDOPAXHYVQEI-JGAFYBCUSA-N 260.421 4.908 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCC(C)(C)CS)c1 94582330 OKSGQWNEJJOAAA-UHFFFAOYSA-N 266.450 4.627 30 10 CJEE FC(F)(F)c1ccccc1OCC1(CS)CCCC1 94583259 PMAWDWIKYFBGAQ-UHFFFAOYSA-N 290.350 4.574 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)N)cc1Cl 110364922 QMLGMXQNAYPJKK-GFCCVEGCSA-N 269.816 4.709 30 10 CJEE CCCCCCCCCOc1cccc2c1CC[C@@H]2O 110369887 WGXYKCXIYRUFDH-KRWDZBQOSA-N 276.420 4.796 30 10 CJEE CCCCCCCCCCNCCOC1CCCC1 111637851 ORQLZXXYTIWYJA-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCC[C@H](Cc1ccc(C)c(C)c1)NC 112898616 VBMYVZJTMHYVSV-GOSISDBHSA-N 261.453 4.794 30 10 CJEE CCCCCC[C@@H](CC)C(=O)[C@@H](C#N)c1nc(C)cs1 117081920 QWWVLZYYZJMGMZ-ZIAGYGMSSA-N 292.448 4.624 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(C)CCCCN1 127113458 YJNIQVWBYGXZEG-QGZVFWFLSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@H](C)OC 129153841 ZBWNTHRFIFKYJD-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNc1ccc(N)c(OC)c1 129216598 JQKREOONNPRZCP-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1Cc2ccccc21 129639513 QWQMHMGAVFHXNT-IAGOWNOFSA-N 260.421 4.828 30 10 CJEE C#CC[C@H](CC)N[C@H](C)c1ccc(-c2ccccc2)cc1 129825417 JGSXKKGKRDGBLN-UZLBHIALSA-N 277.411 4.806 30 10 CJEE CCCCCCCCC[C@H](NCC)C(F)(F)F 157883510 GBSSLIVCRASONT-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C[C@H]1CC[C@@](O)(C2(C#N)CCCCCC2)c2ccccc21 164431106 HJCMYUOEQLYUPJ-KXBFYZLASA-N 283.415 4.636 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C(F)(F)F 196074478 VGLLIWKXSUJCIB-GFCCVEGCSA-N 254.336 4.831 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CCC)CC[C@@H]1CNCC 219441096 WMVQVHQZJRMLHQ-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H]2CCC[C@H]21 227250102 HZIARTYKDJKRAZ-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)(C)C 227532648 RGXAPTLLDUAJAT-JYJNAYRXSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccoc1)NCC 229214024 CHSPITRYLOFHON-KRWDZBQOSA-N 265.441 4.941 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(Cl)c(F)c1 232946214 PITYLOKBFIVHFT-CQSZACIVSA-N 257.780 4.839 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CCC)CC[C@H]1O 250797539 BIGUYGFYPAODLV-BRWVUGGUSA-N 270.457 4.693 30 10 CJEE C[C@@H](F)c1ccc(CC(C)(C)C#N)cc1Br 260464678 WADGVVUMTMEQIL-SECBINFHSA-N 284.172 4.572 30 10 CJEE CC(C)(F)Cc1ccccc1C1(C#N)CCCCC1 260650657 RPKYHMMOSYHBMC-UHFFFAOYSA-N 259.368 4.703 30 10 CJEE C[C@H]1CCCC[C@@]1(C)Nc1ccc(Cl)cc1C#N 308730660 SHXKXTJMIAAANE-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@@H]1CCC[C@H](CNC(C)(C)C)O1 312037657 ULTSQWXYCXUZFE-HZPDHXFCSA-N 269.473 4.673 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)cc(C)c1 312241348 QABJAOXWKSFDGJ-SFHVURJKSA-N 271.448 4.784 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1C)c1cccc(C)c1 312797295 PTGSENXTFBEGBX-KRWDZBQOSA-N 264.372 4.738 30 10 CJEE O=CC1([C@@H]2CCOC3(CCCC3)C2)CCCCCCC1 317124873 MKVSNTPEYVLTBA-MRXNPFEDSA-N 278.436 4.655 30 10 CJEE CC[C@@H]1CCC[C@](CC#CC(C)(C)C)(CNC2CC2)C1 318213613 SZEKJLIXUGGBSD-VQIMIIECSA-N 275.480 4.765 30 10 CJEE CC1(C)CC(=O)C=C(CC/C=C/c2ccccc2)C1 324194042 VAEREDOMCCFMEP-UXBLZVDNSA-N 254.373 4.796 30 10 CJEE CCCCCCCCC[C@@H](CN1CCCC1)NCCC 328502872 VWGIGQXKOZFJMF-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCC1CCC(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)CC1 381087696 WLOGBXWGMDBVGZ-PXCJXSSVSA-N 289.806 4.733 30 10 CJEE CSc1cccc(N=C2N[C@@H](CC(C)(C)C)CS2)c1 393493781 WLDVOBYDLWCEES-LBPRGKRZSA-N 294.489 4.537 30 10 CJEE C=CCCC[C@@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1F 398108647 WKGZZGWMKSIOLU-SECBINFHSA-N 286.734 4.544 30 10 CJEE C=CC(C)(C)CCN[C@@H](c1ccc(F)cc1)c1ccccn1 624037104 LZDNXXYJLFPNSY-SFHVURJKSA-N 298.405 4.502 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1CNC 686691815 ULNAGLSBSCXZHA-KURKYZTESA-N 263.469 4.622 30 10 CJEE CC#CC[C@@H](NCCC)C1CC(C)(C)CC(C)(C)C1 688347011 UVHLPIFSUXYSTI-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CCCC[C@H](CC)CNc1ccc(Cl)c(C#N)c1 690185295 RBGRMCQDKWZJTL-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE C=C(C)CC[C@@H](NCC)C(CC)(CC)C(F)(F)F 690218423 STPCMRPUXDQYCF-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1cccc(SC(F)F)c1 690238351 WYTPSBDGQFQVBI-JTQLQIEISA-N 284.375 4.599 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)c(F)c1 691139349 XOQULSDFPFEXAD-DOTOQJQBSA-N 274.383 4.714 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H](C)CC2CCCCC2)N1 694631911 WCNPWQPDRLEYIW-XJKSGUPXSA-N 282.497 4.597 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CC12CC2 698153759 QDGVGQRWYMNXQM-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCNc1c(N)cccc1Br 700037705 ZDBYTWTZMGOPLK-UHFFFAOYSA-N 297.240 4.580 30 10 CJEE Cc1ccc(Cn2ccc3ccc(Cl)cc32)cc1C#N 701869590 NZAUXOGAMYVSQS-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccccc1Br 701920931 UNCUGRGHJQSDLL-GFCCVEGCSA-N 296.252 4.702 30 10 CJEE C=CCSc1ccc([C@@H](C)NCC)c(C(F)(F)F)c1 705533896 BWHKKZYATZVRDR-SNVBAGLBSA-N 289.366 4.654 30 10 CJEE CCCCCCCNCc1cccc(OC(F)(F)F)c1 705954041 OFSVLEJUKJZVDG-UHFFFAOYSA-N 289.341 4.645 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H]2CCCC[C@@]21C 707184558 FYZXEHVAUZDBSL-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@H]1C[C@H](C)CC(C)(C)C1 709181712 DUJBVPLOTUKNKX-BBRMVZONSA-N 270.420 4.518 30 10 CJEE CCCCCCCCC[C@H](O)CCCOC(F)(F)F 713428107 RESOOYGGBFXKKN-ZDUSSCGKSA-N 284.362 4.805 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 715012250 YRVLTHCVTBLVOV-PRHODGIISA-N 278.701 4.604 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cscc1C(F)F 717230552 BSROXTKAOSRQKY-GFCCVEGCSA-N 259.365 4.693 30 10 CJEE C=C1CCC(C[C@@H](O)C[C@@H](C)CC(C)(C)C)CC1 724553499 SHKJYSZWBZCBFA-ZBFHGGJFSA-N 252.442 4.946 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@]2(C)CC2(C)C)CC1 724598833 BWVLMRYDXJSSMX-SJLPKXTDSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(C)csc1C 724981124 IKIGJHFMQCTXNH-CQSZACIVSA-N 268.470 4.620 30 10 CJEE CCC(CC)[C@H](C)/N=C1/N[C@H](C2CCCCC2)CCS1 725110088 YZZKFVZNMMKZRS-BBRMVZONSA-N 296.524 4.843 30 10 CJEE C=C(CC)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 1168466150 LJWBSRKVTPKJCS-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE C=CCCC[C@@H](NCc1ccc(OC)cc1)c1ccccc1 1175774585 HCCNILYWTGCGPR-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCSC(C)(C)C1 1207675701 QTQQVWOOASIGBC-LSDHHAIUSA-N 271.514 4.999 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1ccc(CC)c(Cl)c1 1217553185 UZRXJHXXCHQCGK-GFCCVEGCSA-N 294.826 4.769 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C(/CC)c1ccc(C)cc1 1357587036 MTIWXLZLMZUXSE-DXFLKOCDSA-N 285.431 4.649 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(CCCCC)cc1 1523026891 HHUQSCZXSLBLIK-UHFFFAOYSA-N 285.431 4.942 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](CC)C(C)C)c1ccccc1 1532002570 ZZEDWSKCIYQORN-ZBFHGGJFSA-N 260.377 4.529 30 10 CJEE C=CC[C@@H](C)NC(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1543657415 YXPYRJVODJQIEW-HITAIPBASA-N 291.479 4.700 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 1560253064 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CCCCCCCC[C@@]1(N)CCCOC12CCCC2 2098926434 ABBDUYDLROVZEO-MRXNPFEDSA-N 267.457 4.558 30 10 CJEE C#Cc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1 2101664223 ZRJVHIAMIHLZMQ-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CCC[C@H](C)[C@@H](N)CC12CC3CC(CC(C3)C1)C2 2102110740 INFKCZPETGSCQK-OKUQKKEKSA-N 261.453 4.523 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1cccc(C2CC2)c1 2102111444 MQZPEAWTSAFNAS-KDOFPFPSSA-N 257.421 4.817 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C#N)CCOC(C)(C)C1 2105306362 IBAQVJABZIAWIH-AWEZNQCLSA-N 273.367 4.547 30 10 CJEE O=C(C=Cc1ccccc1)c1cc(C(F)(F)F)cs1 2107771816 XKDQVKIFFWVJMO-UHFFFAOYSA-N 282.286 4.663 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1ccc(CC)s1 2108208398 LGRSHWGOBJAHRR-JKSUJKDBSA-N 279.449 4.628 30 10 CJEE CN(c1cccc(Cl)c1C#N)[C@H]1CCCCC1(C)C 2108672497 DMNWBYXLFCPTKQ-HNNXBMFYSA-N 276.811 4.617 30 10 CJEE C=C(C)CC[C@H](C)NC[C@@H]1CC12CCC(F)(F)CC2 2109399350 WTQPXUZVMQEJDX-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=CC1(C[C@]2(CNCCC)CCC[C@H](C)C2)CCC1 2111708256 LPCYNBDZJPBEIN-WMZOPIPTSA-N 263.469 4.929 30 10 CJEE C=CC1(C[C@H](O)C2(C(F)(F)F)CCCCC2)CCC1 2111711252 MAAOGFGYNSEOPG-LBPRGKRZSA-N 276.342 4.607 30 10 CJEE C=CC1(C[C@@H](O)c2cccc(C(C)(C)C)c2)CCC1 2111722236 NNYSKRRCROKYRP-MRXNPFEDSA-N 258.405 4.764 30 10 CJEE C#CC(C)(C)CC[C@@H](NCCC)c1cccc(Cl)c1 2113450008 PQYUSNRQENLSGW-MRXNPFEDSA-N 277.839 4.820 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)C1(C)CCCCCCC1 2115969060 BCYKJDDJUDHJLO-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE CN(CCCCCS)CC1(C(F)(F)F)CCCCC1 2116616427 WUJSXXFLYLDRKZ-UHFFFAOYSA-N 297.430 4.531 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(F)c(F)c1C 2119368540 FXENAVYTFPPPPR-IAQYHMDHSA-N 267.363 4.526 30 10 CJEE CCC1(Nc2cc(Cl)c(C#N)cc2F)CCCCC1 2120885236 VYLCCXKCOSJACK-UHFFFAOYSA-N 280.774 4.876 30 10 CJEE Cc1cc(Nc2cc(Cl)c(C#N)cc2F)ccc1F 2120889090 MXAJLKKNCBPDFF-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C#CCCCCC[C@@H](NCC)C1(C2CC2)CCCC1 2121251854 DEXNVHQWTFJFCS-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cnc2sccc2c1 2124931885 LYTZNWWSBXGFLJ-IUODEOHRSA-N 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N#CC1(C[C@]23CCCC[C@@H]2CC3)Cc2ccccc2C1 2289138155 ZNIBMYUZXWJLII-IEBWSBKVSA-N 265.400 4.656 30 10 CJEE C#C[C@@H](CCC)OCCCCCCCCCCCCO 2289437825 BYOAVNNVLGEEBR-SFHVURJKSA-N 282.468 4.698 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)ccc1F 2289704963 NPGWVXCYPZNFBE-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](NCC#CC2CCCC2)CC1 2289845254 RQPRSDPSNAIRGA-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CN(CC#CC1CCCC1)[C@H]1CCC[C@H](C(C)(C)C)C1 2289859912 PMJVRWOGPPOMBA-ROUUACIJSA-N 275.480 4.717 30 10 CJEE CC(C)(C)c1cccc(C[C@@]2(C=O)CCC(F)(F)C2)c1 2290199861 LWGZWCPGQPIYPS-INIZCTEOSA-N 280.358 4.531 30 10 CJEE C=CCCCC[C@@](C)(CCCCCCC)OCC(=O)O 2291471738 BALJCIUUHFEREH-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H]1CC[C@@H](C)C1 2291602601 YQQFCRYQONMTDC-VYDXJSESSA-N 284.440 4.643 30 10 CJEE C=C(C)C[C@@H](CCCCCCCCC)OCCC(=O)O 2292123946 BURURVXLLHZDCE-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@](CCC)(OCCC(=O)O)C1CC1 2292721178 IBQXJCGLIDOSQC-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@@H]1CCCC(C)(C)C1 2293194377 NSZIYMNSQVIEMT-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1csc(C)c1C 2293897798 FMSHXHZEQOOWHT-QGZVFWFLSA-N 295.492 4.908 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@]1(C)C[C@@H]1C 2293995910 ZREZYKZXWCXVRV-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@@H]1C[C@H]1C(C)C 2294000050 IKNMBVZEVUIHKG-KSZLIROESA-N 281.484 4.539 30 10 CJEE CN(Cc1ccsc1C#N)C1CC2(CCCCCC2)C1 2294719294 MZNCILXADHZFJU-UHFFFAOYSA-N 288.460 4.555 30 10 CJEE CCCCCCCCO[C@H]1CC(=O)[C@@]12CCC(F)(F)C2 2295104222 HFDVBBXLGKZJDI-GJZGRUSLSA-N 288.378 4.511 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnn(C2CC2)c1 2295595764 CIYGIFQDVUUBDL-KRWDZBQOSA-N 277.456 4.533 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)c1ncc(C)s1 2295595991 GGTJBKLJCCGPPY-MRXNPFEDSA-N 297.464 4.526 30 10 CJEE CC#CCCCC[C@@](O)(c1ccccc1)C1CCCC1 2295713175 CKLNTWSSMDJTDB-LJQANCHMSA-N 270.416 4.648 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(CCC)NC1CC1 2295765165 AHVPXJYWLIAOLI-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE C=CC[C@H](CC)NCc1cc(F)c(Cl)cc1Cl 2306197760 SXSQZBKAHJEBHG-JTQLQIEISA-N 276.182 4.577 30 10 CJEE COCCCCCCSC[C@H](CS)CC(C)C 2308064835 ZKXKDPBZAHRHIE-AWEZNQCLSA-N 278.527 4.519 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1[C@H](C)NCC 2313693312 WHDJXGYFDMRECR-NEPJUHHUSA-N 267.413 4.553 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@@H]1NCC1(C)C 2314070898 FJHDSTFVNUCSRD-CABCVRRESA-N 257.437 4.853 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1C[C@@H](SC)C1 2314311542 HKRCDWLOOZWTPX-OWCLPIDISA-N 271.514 4.857 30 10 CJEE C=CCC(CC=C)[C@@]1(O)C[C@@H](C)Sc2sccc21 2316715351 NWRVJZNVGZPSOK-ABAIWWIYSA-N 280.458 4.588 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccccc1SC 2316730835 LKWLGWOBNYQWJD-ZDUSSCGKSA-N 261.434 4.580 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C)cc1SC 2319569464 ZTENVMRNMKDOQU-CJNGLKHVSA-N 263.450 4.580 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC1CCC(C)(C)CC1 2321228147 KSZSCIIVABKAMW-DOTOQJQBSA-N 252.442 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CC12CCCCC2 2321236907 IJZIXXCGLFQIKV-XHSDSOJGSA-N 250.426 4.700 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCC2)CCCC(F)(F)C1 2332825561 LHPQNVLDJJLJTG-SOUVJXGZSA-N 267.363 4.922 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC[C@H](NCCC)[C@@H]1C 2335187973 NBOVKGWAFDVKIC-BHYGNILZSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@H]1CC2CCC1CC2 2337095395 ABNVHWAFKAUAPM-MFYFJRRASA-N 261.453 4.536 30 10 CJEE CC(C)(C#N)c1ccnc(SCC2CCCCC2)c1 2338327220 COTPEZAFOPWJIB-UHFFFAOYSA-N 274.433 4.555 30 10 CJEE C=CCC(CC=C)[C@@H](OCCCN)c1csc(Cl)c1 2338698834 IPSAPDJGQCOXKB-OAHLLOKOSA-N 299.867 4.576 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21 2338731867 DOSAHEFAZIVZTL-BRWVUGGUSA-N 260.421 4.930 30 10 CJEE C#CC[C@H](CO[C@H](CCC)c1ccccc1)C1CC1 2340542424 FLGIPLQIPXFNCT-QZTJIDSGSA-N 256.389 4.594 30 10 CJEE CCCN(CCC#N)CCCc1cc(Cl)cc(Cl)c1 2341151220 YAAWSZWZIVQBBD-UHFFFAOYSA-N 299.245 4.552 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC(C)=C(C)C1)NN 2343436456 GOSYLNRJMZBYTG-SJORKVTESA-N 266.473 4.705 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ncc(C(F)F)s1 2343577018 XJZKMXGHYYTXOL-CMPLNLGQSA-N 288.407 4.724 30 10 CJEE C=C(C)CC[C@H](C)NCc1cccc(C2CCC2)c1 2343716658 POELYCOTGQXGFC-HNNXBMFYSA-N 257.421 4.789 30 10 CJEE C=CC[C@H](C)[C@@H](CCCC(F)(F)C(F)(F)F)NCC 2344342214 IHLNMULIJDKAJD-WDEREUQCSA-N 287.316 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(C)c1)NCC 2344349280 RHYJBPPOWJRVBN-MRXNPFEDSA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1cccc(F)c1Cl)NC 2344354805 CHXXFBLDTXDVBM-GOEBONIOSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@H]1CC1(F)F)NCC 2344375515 CRBDYMXCWUDDPL-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](C/C=C/c1ccccc1)NC 2344375651 NZXCNBSWADRJJP-RNVJXAMWSA-N 257.421 4.670 30 10 CJEE CC1(C)CC[C@@H](CC[C@@](C)(C=O)c2ccccc2)C1 2344887310 ZCJKHRIVXRKYLX-YJBOKZPZSA-N 258.405 4.750 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CC[C@@H]1C[C@@H]1CC)NC 2358712500 JLDOOCNWOHBYHP-BSDSXHPESA-N 283.500 4.512 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1c(C)cc(C)cc1C 2360206716 ATXSDNAYCJHCBR-IAGOWNOFSA-N 291.504 4.960 30 10 CJEE C=C(c1ccccc1Cl)[C@H](C)Nc1ccccc1 5587073 DDUJPAWMFDTIOO-ZDUSSCGKSA-N 257.764 4.854 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@]1(C#N)Nc1cccc(F)c1 37936963 FJILLIYWUUKNIN-NVXWUHKLSA-N 274.383 4.736 30 10 CJEE C[C@@H](C#N)Cn1c(-c2cccc(Cl)c2)nc2ccccc21 57800470 YPWUERLGTOKQNX-LBPRGKRZSA-N 295.773 4.516 30 10 CJEE CCCCCCCCOc1cccc(/C(C)=N/O)c1 59089432 BMSAWQWSLQJLJK-SAPNQHFASA-N 263.381 4.624 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](c1cccs1)N(C)C 59090295 RLLGIJCTZAZTFC-CVEARBPZSA-N 296.524 4.689 30 10 CJEE CCCCCCCNc1ccc(Cl)c(C(=O)OC)c1 59419315 LXJRSMPIJQMVLE-UHFFFAOYSA-N 283.799 4.509 30 10 CJEE CN(c1ccc(C#N)cc1)c1ccnc2cc(Cl)ccc12 61957094 LGIFMIMHTNLTRC-UHFFFAOYSA-N 293.757 4.528 30 10 CJEE C=CC[C@@H](Sc1nc(C)cs1)c1ccccc1 72262771 LBDBSBJVVPRUHY-CYBMUJFWSA-N 261.415 4.861 30 10 CJEE CCCOc1ccc(-c2cc(CC#N)c(C)s2)cc1 77094703 LRJOWPDSKSZFPH-UHFFFAOYSA-N 271.385 4.578 30 10 CJEE N#C[C@@]1(Nc2cccc(Cl)c2)CCC[C@H](C2CC2)C1 81642585 CFGVWBSMUCSMSY-XJKSGUPXSA-N 274.795 4.614 30 10 CJEE COc1ccccc1/C=C/C(=O)c1c(C)cc(C)cc1C 83194192 UAXBZWKIKMODAP-MDZDMXLPSA-N 280.367 4.517 30 10 CJEE CCC(CC)c1nc2cc(C#N)ccc2n1C(C)(C)C 86636980 RWJYKVPRVKKCBX-UHFFFAOYSA-N 269.392 4.567 30 10 CJEE Cc1ccc(C#N)c(Nc2c(Cl)cccc2Cl)c1 88170999 MHCGSMNQVOHXRC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)CC[C@H](NCCC)C1CCC(F)(F)CC1 97419557 YPINWPMXAKGOJK-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C[C@@H](CS)Cc1c(Cl)ccc(Cl)c1Cl 107503006 BHAKJLGUJJLJBX-ZCFIWIBFSA-N 269.624 4.755 30 10 CJEE CCCOc1cc(C)c([C@H](C)CCS)c(C)c1C 107639399 QNOGROWFTDNISE-LLVKDONJSA-N 266.450 4.824 30 10 CJEE CCCCCCCCCCCCn1nc(C)c(CN)c1C 109692229 FQRUNYMTUZGQSX-UHFFFAOYSA-N 293.499 4.880 30 10 CJEE Cc1c(F)cc(C#N)cc1NCC[C@@H](C)c1ccccc1 109886316 HMEZJWBTFRSXEM-CYBMUJFWSA-N 282.362 4.612 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F 109939649 OFNCAIIRMPGYQY-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE CCCCCCCOc1c(C)cc(C[C@@H](C)N)cc1C 110518721 DYABNEXOQLQYBL-MRXNPFEDSA-N 277.452 4.542 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@@H]1CCC 114057035 HWJFTDIKWBIMEN-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@@H]1[C@@H](C)CC 115221591 VCIXAQLAANLOGB-IPMKNSEASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C)cc1N 115854544 PUVJXZVWPPGGOY-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1ccncc1 115999694 GMVLNARVXCXVQY-SFHVURJKSA-N 276.468 4.872 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](C)c1ccncc1 117684591 IAJDVHSUUBHKCN-WBVHZDCISA-N 262.441 4.524 30 10 CJEE CCCCCCCCC[C@@H](N)C(C)(C)N(CC)CC 118141135 XDHXFNQNPMQDIV-MRXNPFEDSA-N 270.505 4.575 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2cc(C#N)ccc2Cl)c(C)n1 127722577 DGXAHVGDRUUSFE-CYBMUJFWSA-N 299.805 4.705 30 10 CJEE C=CCCC[C@H](NC)c1cccc(Cl)c1Cl 128837300 KWWAAAOGGQIMBU-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE Cc1cc(Oc2c(F)cc(C#N)cc2F)ccc1Cl 134002292 ZRHQDFYIUATEKM-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCc1cccc(C)c1Nc1cccc(SC)c1C#N 136604926 DRMOBLYNDPLKDP-UHFFFAOYSA-N 282.412 4.895 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CO[C@@H](C)C1 157979731 JMQXMZUQOPEWMB-KSZLIROESA-N 283.500 4.920 30 10 CJEE C=C[C@@H](C)N[C@H](c1ccccc1)c1cc(C)ccc1C 159759434 GYAJSEXQKVZFLC-VQIMIIECSA-N 265.400 4.557 30 10 CJEE CCCCCCCCCCCC[C@@H]1CC[C@@H](C(=O)O)N1 160237281 VYBQTIAWSAGHJE-CVEARBPZSA-N 283.456 4.503 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@H](C)c2ccccc2C1=O 164058086 URZVTJIGBDVSHF-YOEHRIQHSA-N 286.415 4.922 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 226532520 VUPCRGYBHGWFML-XLWJZTARSA-N 251.439 4.627 30 10 CJEE C=C(CNC(C)C)COc1cc(C(C)C)c(Cl)cc1C 231526205 JHWYYLHHKWRALT-UHFFFAOYSA-N 295.854 4.705 30 10 CJEE CCCC1CCC(Nc2ccc(C#N)c(F)c2F)CC1 232939551 KFHDVZBPKVFAAE-UHFFFAOYSA-N 278.346 4.607 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)C1CCCCCC1 235192245 ITHQONUIKIIYSL-OAHLLOKOSA-N 264.457 4.655 30 10 CJEE O=C(C=C1CCCCC1)c1ccc2ccccc2c1 236405531 QRGCAQDONSUDNJ-UHFFFAOYSA-N 250.341 4.913 30 10 CJEE C=CCCCCC[C@H](C(=O)O)c1cccc(Cl)c1 236436129 ZLACECLJHZEMFL-AWEZNQCLSA-N 266.768 4.645 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)[C@H]1CCCCC[C@@H]1C#N 251589264 XILHBYUZGCVUPC-CPUCHLNUSA-N 290.838 4.805 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CO[C@H](C)C1 252898472 FXIVDSFGPADLNV-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CN(C)c1ccc(C=Nc2ccc(Cl)c(Cl)c2)cc1 254371910 IEIMQQBFHKNPFP-UHFFFAOYSA-N 293.197 4.810 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 305896586 LLLKZFBUNRMYIS-OWCLPIDISA-N 260.421 4.602 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2c(C)cc(C)cc2C)C1 316773746 FEKRUTONPMVLTE-HKUYNNGSSA-N 272.432 4.940 30 10 CJEE CCC1CCC([C@]2(C=O)CCc3ccccc3C2)CC1 317030000 UYLGTWVITQSMIT-XUJQIHCRSA-N 270.416 4.577 30 10 CJEE CC[C@H]1CC[C@](CC#CC(C)(C)C)(CNCC(C)C)C1 317970420 BNSWBSRTKWPXHJ-HKUYNNGSSA-N 277.496 4.868 30 10 CJEE CC[C@](O)([C@@H]1C[C@H]1C)C1(C#N)CCC(C(C)(C)C)CC1 321442777 MVNNOXYKLFHBCL-YGEKKOLQSA-N 277.452 4.530 30 10 CJEE C=CC(C)(C)CNCc1ccc(OCc2ccccc2)cc1 384979698 QOLIJLGKERGQAZ-UHFFFAOYSA-N 295.426 4.567 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(OC)c1F 397439580 BSWFBOVULOQJHQ-HNNXBMFYSA-N 279.399 4.621 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)c1 401422180 UNZCECOPIVCIQX-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](C)CC(F)(F)F 402915395 GLECDRBUDCGPCC-RYUDHWBXSA-N 253.352 4.523 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H]2C[C@H]2C1 403718638 ZHNOBDDIZXPNSM-YESZJQIVSA-N 251.458 4.905 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CCC[C@@H](C)C1 686708706 NQQYAVGGOZSFEC-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE C[C@@H](CC(C)(C)C)Nc1ccc(Br)c(C#N)c1 690199722 QMEBAOXJADCOHH-JTQLQIEISA-N 295.224 4.557 30 10 CJEE Cc1ccc(Nc2cccc(C3CCC3)c2)c(C#N)c1 690288763 KRVFRQROIVJKEX-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE CCC(CC)(CS)CN1CCCC(CC)(CC)C1 690472038 WLIGXZFEAUCFHQ-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C=CCCCCCC(=O)c1cc(Cl)cc(F)c1F 692133087 YFSBBCSHQPCTJL-UHFFFAOYSA-N 272.722 4.937 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 692251383 ARDARBJZLUNKEV-HOCLYGCPSA-N 263.812 4.565 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CCOC1(C)C 693075649 XMPNHFZVBACROX-DLBZAZTESA-N 283.500 4.920 30 10 CJEE 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2223847549 FZTULYYEAPLUER-KBPBESRZSA-N 268.470 4.933 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225320736 CFHJVMBMFQBRBX-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](CCOCC)NCCC 2227270948 HZWFWVOSSBMNJU-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(N)ccc1C 2227282130 ABWQDRLZATYBTE-KRWDZBQOSA-N 261.409 4.527 30 10 CJEE CCCCCCCCCOC[C@@H](CC1CC1)NCC 2230985886 ZUMLUBJWKPCEQF-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CCCCCCCOc1ccc(F)c(Cl)c1C(=O)O 2231060263 RIZJCRLMPFEOOU-UHFFFAOYSA-N 288.746 4.527 30 10 CJEE CCCCCCCCCCCO[C@@H](CC)[C@H](C)NC 2231078244 GIAHLRRTSSOSMV-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)c1cc(C)sc1C 2231096566 VYXJBNYOEIQCQU-CQSZACIVSA-N 280.433 4.699 30 10 CJEE C=C[C@@H](CCCCC)O[C@H](C)CNc1ccccc1 2231105324 ZQGRQRWXOOIKDA-WBVHZDCISA-N 261.409 4.639 30 10 CJEE C[C@H](CCS)CCOCc1ccc(C(F)(F)F)cc1 2231124279 VXYUYHPAVDTUIJ-NSHDSACASA-N 292.366 4.568 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cc(C)ncc1C 2231906271 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C=C[C@@H](CCCCC)O[C@@H](C)C(=O)c1ccc(F)cc1 2239499897 MSFHOSQNRBVFBQ-BBRMVZONSA-N 278.367 4.548 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnc(OCC)s1 2239809256 JVDGFAVBJDMQPV-CQSZACIVSA-N 298.496 4.943 30 10 CJEE CCCCCCCC[C@@]1(C)C[C@@H](N)c2ccccc2O1 2240561516 XMGHDVRXCMZMOI-AEFFLSMTSA-N 275.436 4.978 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]12C[C@](C)(CCO1)C2 2240665416 CGIQFMQUELBPLJ-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCC(C)C)NCC 2240666525 NPYPTMHLNOCOKQ-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE C=C1CCC(CN(C)Cc2coc3ccccc23)CC1 2241119101 ROFHPLOFIHFMOW-UHFFFAOYSA-N 269.388 4.611 30 10 CJEE N#Cc1cc(Cl)cc(OCc2cccc3ccoc23)c1 2241178780 HECSSFZFYNUZJU-UHFFFAOYSA-N 283.714 4.537 30 10 CJEE C=CC1(C[C@H](NCC)c2ccc3occc3c2)CCC1 2241185911 VHMGCGPGPNVVNC-INIZCTEOSA-N 269.388 4.830 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc2ccoc12 2241198287 QXISPJNPVFFGIC-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE C[C@@H]1CCC[C@H](CCC2(C#N)CCSCC2)C1 2246664117 OHQAUFIXVACHDO-ZIAGYGMSSA-N 251.439 4.630 30 10 CJEE C=CCCCSc1csc(CN[C@H](C)CC)c1 2250065897 SSOVNLFDTXLNIR-GFCCVEGCSA-N 269.479 4.695 30 10 CJEE C=C(C)CCCCSc1ccc([C@H](C)O)cc1 2250157593 AEQJAEHESFLJLP-ZDUSSCGKSA-N 250.407 4.578 30 10 CJEE C=C(C)CCCCC[C@H](N)c1cccc(Br)c1 2250180402 AHKUQSHUBFFYCD-HNNXBMFYSA-N 296.252 4.976 30 10 CJEE C=CCCSc1cc(Cl)sc1CNC1CCC1 2250718216 IUCBJSYMBZVMNV-UHFFFAOYSA-N 287.881 4.712 30 10 CJEE C#CC[C@H](C)C[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2258562206 KLKHSJOIDNTYAF-ZUZCIYMTSA-N 284.230 4.612 30 10 CJEE C=CCCCSC[C@H](NCC)c1cccc(Cl)c1 2258985538 LUXHBNKNVIRGSD-HNNXBMFYSA-N 283.868 4.690 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(F)c1Cl 2259232022 UDQSPOZEMIRJOV-CQSZACIVSA-N 269.791 4.876 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@]1(C)CCCCC1(F)F 2259239978 VEHZLQHVXAPMEH-UONOGXRCSA-N 259.384 4.666 30 10 CJEE C=CC[C@H]1CCN(CC[C@@H](C)CCCC(C)C)C1 2259607009 KWQZVONXCOFFKL-IRXDYDNUSA-N 251.458 4.737 30 10 CJEE CC1CC2(C1)CC(S[C@@H]1C[C@H](C)CC[C@@H]1C#N)C2 2260475525 RXWNPYJJNJTTDQ-VOSGCTGJSA-N 263.450 4.627 30 10 CJEE CCCCCCCCC[C@](C)(N)CC[C@@H](C)OC 2263660025 KZKYBDKVNWVVDS-CVEARBPZSA-N 257.462 4.660 30 10 CJEE O=C(CC#CC1CCCCC1)c1csc(C2CC2)c1 2267887470 ZKFRXWMFIXXFOP-UHFFFAOYSA-N 272.413 4.782 30 10 CJEE CC(C)CNC[C@@H](C)[C@@H](C)CC=CC#CC(C)(C)C 2268725861 JKILDGRCZXFARL-DLBZAZTESA-N 263.469 4.500 30 10 CJEE COc1ccc(Cl)c(CCC=CC#CC(C)(C)C)c1 2268976709 ZAJGJQCXDMZIRR-UHFFFAOYSA-N 276.807 4.887 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)[C@H]1C[C@@H]2C[C@@H]2C1 2270205044 DROBUQWKVYHLIW-RCJHGTSTSA-N 285.497 4.972 30 10 CJEE C=CCCS[C@H](CC)[C@@H](NCCC)c1ccccc1 2271588984 CNEXWIHBANLCCW-SJORKVTESA-N 277.477 4.815 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(OCC)CCC[C@H](C)C1 2271751920 BSEDZEOANBWLSE-RDJZCZTQSA-N 266.425 4.677 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2C[C@H]21 2271791384 LUWKYRXJJQSKFZ-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1sc(C)nc1C 2271837675 WNMFNSGQZWTSSM-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@]1(C#N)C[C@H]2CC[C@H]1O2 2272348469 LAWVBIKGMNCDOM-QBPKDAKJSA-N 263.425 4.690 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1csc(C)c1C 2273965407 LCPKKFYLCNYMNG-QGZVFWFLSA-N 275.461 4.599 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)[C@H](C)CC 2274770634 AVJFQBRGYJTDTI-GDBMZVCRSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1ccsc1 2276436095 LLOZWFFDTUBXEL-MRXNPFEDSA-N 283.481 4.689 30 10 CJEE O=C(C#Cc1ccccc1Cl)CCC1CCCCC1 2277777780 HJLNYEVLSFEJEX-UHFFFAOYSA-N 274.791 4.621 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1OCC[C@@H]1C 2278237361 PPVVUVBWCGKLTE-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE SCCCCCCCCCN1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1 2279674286 MBUMAVKEDXVKIW-MHORFTMASA-N 295.536 4.625 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1OC 2283209381 NDSGAEMNEVLBNO-XJKSGUPXSA-N 293.838 4.573 30 10 CJEE CNC[C@@]1(CC=CC#CC(C)(C)C)CCCCC1(C)C 2284075276 HWQWSIPJMLEUJH-LJQANCHMSA-N 275.480 4.788 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(N)CC=CC#CC(C)(C)C 2284091107 RZQITMGGPOBOGA-PKOBYXMFSA-N 275.480 4.916 30 10 CJEE Cc1cc(C)c(C)c([C@@H](O)CC=CC#CC(C)(C)C)c1 2284143076 NKQKXAZCPSLGPR-SFHVURJKSA-N 270.416 4.641 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1(C(C)(C)C)CCC1 2284161282 HNFFUGUEUHDVAB-MRXNPFEDSA-N 275.480 4.787 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1 2287369435 IHJLHUGNPUSEQO-CRAIPNDOSA-N 280.452 4.659 30 10 CJEE C=C(C)CCCCOc1cc(Cl)ccc1C[C@@H](N)CC 2287407899 BOVZVTZYCOKZCZ-INIZCTEOSA-N 295.854 4.745 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(C)ncc1C 2287408741 MDKPXWURPRZURN-SFHVURJKSA-N 274.452 4.876 30 10 CJEE C=C(C)CCCC[C@@H](NC)C12CC3CC(CC(C3)C1)C2 2287409773 YXALLGPOEGDOAQ-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccc(F)cc1)NCCC 2287466166 FTHZALYNCZPYBB-GOSISDBHSA-N 277.427 4.873 30 10 CJEE C#CC1(NCC[C@@H]2CCC[C@H](C)C2)CC2(CCCC2)C1 2288205552 AQZNMCZNUDEMKE-IRXDYDNUSA-N 273.464 4.519 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(C)c(F)c2F)C1 2289643246 SSLUTKVTQYELPQ-CXAGYDPISA-N 280.358 4.601 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cccc(Cl)c1F 2289706971 YKPSLVFEHSCUPX-MRXNPFEDSA-N 293.813 4.713 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)C1CC2(CCCC2)C1 2289858474 BRMZNLAHYAHTOA-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H]1C[C@@H](CC)C[C@H](CC#CC2CCCC2)C1 2289874278 KYYLJVAWMHOVJY-YTQUADARSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC(C)(C)[C@](O)(C#Cc2ccc(Cl)cc2)C1 2290277541 AYNZMDRHZDEKHM-SFHVURJKSA-N 290.834 4.659 30 10 CJEE CCCCCCC[C@](C)(CCC1(C)CC1)OCC(=O)O 2291347632 FYZFNMYSTGCMGA-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(CCCCCCC)OCC(=O)O 2291619987 XCWQVFLBJNBSIA-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCCCCCC1(OCC(=O)O)CC(C)C1 2291711868 QGBMBVBTQAEVFN-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)C=CC[C@@H](C)C1 2291931271 PBUUOIQUDOQTPB-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@]1(OCCN)C[C@@H]2CCC[C@@H]2C1 2293367852 HJUVNVQYWDZQRX-PIIMJCKOSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](OCCN)(C(C)C)C(F)F 2293467051 REFOHJMMAWTRFJ-MRXNPFEDSA-N 293.442 4.762 30 10 CJEE C=C(C)C1(OCCCN)CCCCCCCCCCC1 2293720312 DRMFBLYJOSHJHH-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=C(Cl)C[C@]1(OCCN)CCCC[C@H]1C1CCCCC1 2294039750 VCVDUNPLACEEBR-DLBZAZTESA-N 299.886 4.614 30 10 CJEE C#Cc1ccc2c(ccn2CC2CC3(CCCC3)C2)c1 2295194801 KTLWQHRQAADYFG-UHFFFAOYSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)CC(C)(F)F 2295679994 VCYZNJJJIJQRKC-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1ccc(Cl)c(Cl)c1 2298823703 FTFNASXAGCZLIZ-TVQRCGJNSA-N 290.259 4.691 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COCCCCCCS 2303403529 AISMLXNUINUPPH-KGLIPLIRSA-N 258.471 4.566 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C)cc(Cl)c1 2304022712 UNZCXWYBQHVHCM-CQSZACIVSA-N 251.801 4.511 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)c(Cl)c1 2304052558 OYKYTIAGZRUYIR-ZDUSSCGKSA-N 272.219 4.856 30 10 CJEE C#CCCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2318356903 FRUMPUYDBAXCJR-CYBMUJFWSA-N 289.177 4.750 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2321141345 NXTLRCQLOUQYHM-IINYFYTJSA-N 286.246 4.645 30 10 CJEE CSc1cc(SCc2ccccc2)ccc1C#N 2328534451 JECHKQKSJQKZAS-UHFFFAOYSA-N 271.410 4.572 30 10 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256.389 4.886 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1cccc(C(C)C)c1 2343606408 QFRWFLKJDQWUBN-GOSISDBHSA-N 252.357 4.557 30 10 CJEE CC(C)c1cccc(COC[C@@H](CS)C2CCC2)c1 2343784056 ORWDPWHSOCYBAZ-KRWDZBQOSA-N 278.461 4.673 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC2(CCCC2)CC1 2352319047 NOEUXRAKODJOIO-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CSc1cc(N[C@@H](C)C2CCCCC2)ccc1C#N 2353831444 KENLQINAJBRDJK-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1C=C[C@@H](N)C1 2354536415 NYQLVXZPVPXZCF-RCCFBDPRSA-N 281.484 4.562 30 10 CJEE CCCCCCCCCCO[C@@H]1[C@@H](N)C[C@@H]2CCC[C@@H]21 2358902566 BHJLHDCZXCTRGP-XSLAGTTESA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)SCc1cccc(CNC2CC2)c1 2360204403 CYURYGQLQKLNMR-UHFFFAOYSA-N 287.472 4.693 30 10 CJEE O=C1/C(=C\c2c[nH]c3ccccc23)CSc2ccccc21 84845 BSDIOKJAHMNJRE-LCYFTJDESA-N 291.375 4.540 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2cccc(C#N)c2)cc1C 20565402 AWJONXHLFIDQKQ-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE O=C(/C=C\c1cc2ccccc2nc1Cl)c1ccccc1 32063385 ZLMZMYBMMYBIOI-KHPPLWFESA-N 293.753 4.784 30 10 CJEE O=C1/C(=C\c2ccccc2F)CC/C1=C/c1ccccc1F 35123646 FGVSGXYJPMHZQB-NFLUSIDLSA-N 296.316 4.795 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)c(F)c1 43390710 IGOMGXYWRSUAFA-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE COc1ccc(F)cc1C[C@H](C#N)c1ccc(C(C)C)cc1 57763685 FBQRAEHBHLEXIW-QGZVFWFLSA-N 297.373 4.808 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(F)cc1F 59134409 KALOWMXUXKUXDH-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1CCOc2ccccc21 59460251 XAXBIUNJKBZMFC-NVXWUHKLSA-N 275.436 4.849 30 10 CJEE CCCCCCCCCOc1cccc(F)c1C=O 78162011 RLTMQECEFONYDU-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE Cc1ccc(-c2nc3cc(C#N)ccc3n2CC(C)C)s1 86637216 BKBHFLMFUOESOU-UHFFFAOYSA-N 295.411 4.601 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2OC)CC1 86949219 DVAVLVRZODLVGW-CRAIPNDOSA-N 286.419 4.750 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(NC2CCCCC2)CC1 86959856 DBVYJLQJCLFSEO-CRAIPNDOSA-N 276.468 4.797 30 10 CJEE C[C@@H](CS)CSc1cc(Cl)ccc1Cl 87096244 GFOVRJSJSONJED-ZETCQYMHSA-N 267.246 4.651 30 10 CJEE CC1(C)CC(=O)C=C(c2cc(Cl)ccc2Cl)C1 87322323 GLNAIRXPRCWLBN-UHFFFAOYSA-N 269.171 4.766 30 10 CJEE Cc1cc(CNc2ccc(C#N)cc2Cl)sc1C 87580482 PIULLUBNNXPFQM-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE Cc1ccc(C)c(C[C@@]2(C#N)CCCc3ccccc32)c1 87930059 RBRXUULHOVXSFW-HXUWFJFHSA-N 275.395 4.644 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccccc2Br)C1 87996685 MECUIEJRZYBNMU-WFASDCNBSA-N 292.220 4.712 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2CSc3ccccc32)C1 92295577 VVBZDYRUMLSESD-ZDUSSCGKSA-N 272.413 4.582 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1C[C@H](C)CC[C@H]1C#N 94848783 NGYLPXNDONXWKW-SOLBZPMBSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C#N 104149913 KPTLWZVXVXRSFZ-RISCZKNCSA-N 262.784 4.592 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCc2ccccc2)cc1 107579189 BMYKEFFRDRITTK-KRWDZBQOSA-N 278.395 4.858 30 10 CJEE Cc1ccc(C2CC(Nc3cc(C#N)ccc3C)C2)cc1 109945264 XQMNYFULBGGUCP-UHFFFAOYSA-N 276.383 4.533 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCN(CC)C1 110164092 PXFSJUSVORBVEU-IBGZPJMESA-N 296.543 4.839 30 10 CJEE CCCCCCCCCn1nc(C)c([C@@H](C)NCC)c1C 110267785 VRNKRYOTLYNIQP-OAHLLOKOSA-N 293.499 4.921 30 10 CJEE CC#CCC[C@@H](CCCCCCCCCCC)NN 124782366 XWRHVWNMZAEBSG-KRWDZBQOSA-N 266.473 4.543 30 10 CJEE CCCCCCCCCCNC(=O)c1cccc(F)c1F 129266809 PXWQPKVPKHSHTN-UHFFFAOYSA-N 297.389 4.835 30 10 CJEE CCCCCCCCCCNC(=O)c1cc(Cl)ccn1 129271959 JELVANTXCUDIDE-UHFFFAOYSA-N 296.842 4.606 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)c1cc2c(s1)CCCC2 129319230 SVZRUVDIFVQADR-LBPRGKRZSA-N 282.412 4.672 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC2CC2)cc1 132239800 XJUQFWRCEZMJHE-SFHVURJKSA-N 275.436 4.849 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@H](O)CCCC2 135413032 WXFHDDBGPSLZHD-QGZVFWFLSA-N 263.425 4.608 30 10 CJEE CCCCCCCCNC[C@@H]1CCNc2ccccc21 159382705 WXRJYCGWJKBNON-INIZCTEOSA-N 274.452 4.536 30 10 CJEE Cc1cc(C#N)cc(Sc2ccc(Cl)c(Cl)c2)n1 161653052 ZAMIWGKWIYJIKF-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)CC2CCCCCC2)cc1 162029953 KYDJGWBWXBHTHE-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 163724306 TWDFDUWEIMQXFQ-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(F)ccc1C(F)(F)F 164718397 FQIVUVDPSVLGEJ-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCCOc1c(F)cccc1CO 165858771 WPBLAUTWKTYQFY-UHFFFAOYSA-N 282.399 4.838 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C)c(OC)c1 168360667 QAMYDJXRFFIQSV-MRXNPFEDSA-N 264.409 4.788 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)c(F)c2)C1 218428303 HZYRMLXGVPZUAK-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCCCC(=O)NCCCOC(C)C 221583470 MRJHCYSZGODBMT-UHFFFAOYSA-N 299.499 4.839 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)c2cccc(C)c2)C1 222790821 HPAZZQVUNJHEFU-AOIWGVFYSA-N 284.447 4.930 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC(C)C)CC(C)C)C1 222791336 MWEOBVWYRDAUPC-SQNIBIBYSA-N 278.484 4.709 30 10 CJEE N#Cc1ccc(NCCc2ccc(Cl)s2)c(Cl)c1 226257011 OTBZYQDJXCYIHU-UHFFFAOYSA-N 297.210 4.581 30 10 CJEE C[C@@H](NCC(C)(C)CCC#N)C12CC3CC(CC(C3)C1)C2 229667703 QLPUIRHBHFYSEG-DGTBMVLOSA-N 288.479 4.511 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](O)C1CC1 232928692 RHDSHDJZZLSYCR-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(OC)c(F)c1 233545255 IYSFDKGIMNYSSC-INIZCTEOSA-N 279.399 4.621 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(F)cccc1F 233606819 NFXQKVDDIQZTHO-OAHLLOKOSA-N 267.363 4.752 30 10 CJEE CCC(CC)N(CC(C)C)[C@@H]1CCCCC[C@H]1C#N 250372832 ASXHIESQUGLLFU-DOTOQJQBSA-N 264.457 4.605 30 10 CJEE CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNc1nc2ccccc2s1 252512625 TXRLOBBXDLQVQI-QWHCGFSZSA-N 297.427 4.686 30 10 CJEE CC(C)(C)C1CCC([C@@H](O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252806194 GVIIRYLZABYXER-NJGHQYNVSA-N 289.463 4.530 30 10 CJEE CC(C)Sc1ccc(C(C)(C)C#N)cc1Cl 260917859 URAFWMQRBJNQKI-UHFFFAOYSA-N 253.798 4.642 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1CC 300618699 WYVGEYIRVAYFLF-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(Cl)ccc1OCC1CCCCCC1 306064739 YFGHNIPCFOUVBS-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE O=C1CCCC=C1c1c(Cl)cc(Cl)cc1Cl 309146938 LIHQQGMSGCPOHE-UHFFFAOYSA-N 275.562 4.783 30 10 CJEE C=C[C@@](C)(CNCCC)CC1CCC(C)(C)CC1 310965621 HHDALDPRWIVTKV-QGZVFWFLSA-N 251.458 4.785 30 10 CJEE C=CCC(C)(C)CN[C@H]1c2ccccc2CC1(C)C 311725036 QCKOLUIDPUAKMQ-INIZCTEOSA-N 257.421 4.502 30 10 CJEE C[C@@H]([C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1)C(C)(C)C 312837601 KICGVIFPLSHGEA-YOFIQYCBSA-N 279.468 4.776 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1N[C@H]1CCCCC12CCCC2 313090412 MQXHHIOKNWYLAE-BBWFWOEESA-N 274.452 4.551 30 10 CJEE Cc1ccc([C@@H](C)Nc2cccc(CC#N)c2)c(C)c1 313438669 PTCHPPMTTUMHES-OAHLLOKOSA-N 264.372 4.543 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1ccc(Cl)c(Cl)c1 316893500 WQSPVAMNTHXQFZ-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE CC(C)(C)C1CCC(C=O)(COCc2ccccc2)CC1 316936519 ZBLYADSZGHDGDS-UHFFFAOYSA-N 288.431 4.625 30 10 CJEE C=CCCCCC[C@]1(CNCCOC)CCCC[C@@H]1C 318771187 WIVYSHDAZQOEFA-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 379849738 OONIFGLSLRPYIQ-BSDSXHPESA-N 275.480 4.621 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1c(F)cccc1Cl 380155457 JOIHGOSTQGBUBB-WDEREUQCSA-N 253.748 4.768 30 10 CJEE CC1(C)CN(CC2(CS)CCCCCC2)[C@@H]2CCC[C@@H]21 381089883 DDHFISSKTYLEDD-JKSUJKDBSA-N 295.536 4.767 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CC(F)(F)c2ccccc2)C1 381678247 SGWMVFILFNYCDK-HIFRSBDPSA-N 263.331 4.889 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccccc1C(F)(F)F 385013190 YIMRALCKDWFZDC-LLVKDONJSA-N 271.326 4.568 30 10 CJEE CCCCCCCC[C@@H](CCN1CCCCC1)NCC 395894556 WERFQXSAHNCZHY-SFHVURJKSA-N 282.516 4.591 30 10 CJEE N#C[C@H](CSc1ccc(Cl)c(Cl)c1)C1CC1 397398056 HQEWMWSETOQBLA-SECBINFHSA-N 272.200 4.635 30 10 CJEE CC(C)[C@@]1(C)CS/C(=N/[C@@H](C)c2ccc(Cl)cc2)N1 398603509 WZUATIHCSJRJKN-XHDPSFHLSA-N 296.867 4.508 30 10 CJEE CCCCCCCCC[C@@H](CCC1CCC1)NN 398810160 KUIZQCBJOHGSFC-INIZCTEOSA-N 254.462 4.539 30 10 CJEE N#CCCC1CCN(Cc2cc(Cl)ccc2Cl)CC1 399468831 PANZFGUZICQZHD-UHFFFAOYSA-N 297.229 4.509 30 10 CJEE CCCCCCCC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C 405829831 NCQJDIUPQHQWIX-CQSZACIVSA-N 299.455 4.609 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 485839888 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254.462 4.705 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@@H](C)O)cc2Cl)C1 703690483 OIJHZOZWOKLLHT-KGLIPLIRSA-N 293.838 4.576 30 10 CJEE C=CCCCCCCNCc1c[nH]c2cc(F)ccc12 705548196 AXHFFPOVIHTJOC-UHFFFAOYSA-N 274.383 4.533 30 10 CJEE Cc1cc(C)nc(C2(C#N)CC(C)(C)CC(C)(C)C2)c1 707996336 JMBDWLOINMGWPV-UHFFFAOYSA-N 270.420 4.696 30 10 CJEE C=CC[C@H](C)Nc1ccccc1Oc1ccccc1 715040343 RJTLYQITNFDNRK-AWEZNQCLSA-N 253.345 4.855 30 10 CJEE CC(F)(F)CCC[C@@]1(C#N)CCc2ccccc2C1 718635319 KIICDCUNWCXTEV-MRXNPFEDSA-N 263.331 4.511 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](C)[C@H]1CCCO1 720205298 RHBBBZMGUDTPMZ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE N#CC1([C@]2(O)CC[C@@H]3CCCC[C@@H]3C2)CCCCCC1 723610141 QATNBMYOIYQRBG-JZXOWHBKSA-N 275.436 4.572 30 10 CJEE CCCCCCCCC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 724266432 JAZXRJMRROXJSX-QDMKHBRRSA-N 254.414 4.510 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1coc2ccccc12 821996181 FTUMEZNMCXLIML-RHSMWYFYSA-N 269.388 4.657 30 10 CJEE COc1ccc(OC)c(N=Cc2ccc(C(C)C)cc2)c1 1084404363 RMFRRLYJIBRPNG-UHFFFAOYSA-N 283.371 4.578 30 10 CJEE C=CCCC1(CN[C@H](C)CCc2cccnc2)CCCC1 1182865555 ZKFXMDSBKQGGRS-QGZVFWFLSA-N 286.463 4.519 30 10 CJEE CC#CCN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 1195883678 JKCGEYMMRPESMK-DLBZAZTESA-N 293.410 4.501 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C(C)(C)C1(F)F 1206770679 LEHXCTWTZIFNIB-QWHCGFSZSA-N 261.400 4.616 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1cccc(C)n1 1258039789 XXNBKRQWCPVCDQ-HOCLYGCPSA-N 262.441 4.790 30 10 CJEE C#CCCCC(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 1264266095 QQCVVXPZYCDPRY-OXQOHEQNSA-N 299.458 4.817 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CCCCC 1280286303 QRBAXNNVPUBYHM-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE C#CCN(Cc1ccc(-c2ccsc2)cc1)C(C)(C)C 1308088869 WBKOAMWODGPXSX-UHFFFAOYSA-N 283.440 4.649 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1CCCN1C1CCCCC1 1308723962 PSFHFCZFVRQRKH-MJGOQNOKSA-N 292.511 4.508 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H]1C(C)(C)C 1312803082 QZITTWWJLSFFMH-MRXNPFEDSA-N 294.483 4.733 30 10 CJEE 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264.438 4.591 30 10 CJEE C=C(C)CCCCC[C@H](CC(F)(F)F)NCCC 2259231982 SUOCABLRDQDGPO-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CCC(F)CC1 2259236581 DSMCZQRZXCOOKR-UYSNPLJNSA-N 255.421 4.629 30 10 CJEE CCCCCCC[C@@](C)(CC(C)(C)C)OCCN 2262335000 MFQXMQBFTSRCLV-INIZCTEOSA-N 257.462 4.517 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CC[C@H](C(F)(F)F)C1 2264931055 MAEGIKCZORSBAV-STQMWFEESA-N 274.326 4.815 30 10 CJEE CSc1ccc(CNc2cc(C)c(C#N)c(C)c2)s1 2265856086 DZBPECKOTCUYHZ-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE Cc1cc(F)c(C(=O)C2=CCC(C)(C)CC2)c(F)c1 2268147594 DQZBQMQZJDHVAT-UHFFFAOYSA-N 264.315 4.592 30 10 CJEE CC(C)(C)C#CC=CCc1ccccc1C(F)(F)F 2268753181 UEGWWOZMUSDSQJ-UHFFFAOYSA-N 266.306 4.854 30 10 CJEE CC[C@H](C[C@@H](N)CC=CC#CC(C)(C)C)C(C)(C)C 2268824536 MPWBYLARSINJJY-CVEARBPZSA-N 263.469 4.772 30 10 CJEE C=CCCCS[C@@H](CC)[C@@H](NCC)c1ccccc1 2271484094 AEBHZFNPEDZVNE-IRXDYDNUSA-N 277.477 4.815 30 10 CJEE C=C(C)CCCC[C@@H]1CCCc2ccccc2[C@H]1O 2271841732 OPMVMLWJWFOQPU-AEFFLSMTSA-N 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CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329718138 KMIAEOFMOWALER-XQLPTFJDSA-N 273.411 4.759 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NC 2333706199 HXYVANAXIHNWFE-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCCC(F)(F)[C@@H]1NCC 2335096954 SKLMPGISBXATES-BFHYXJOUSA-N 291.451 4.630 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccc2sccc2c1 2335196073 CAICXRVCAHAQDS-UHFFFAOYSA-N 272.369 4.579 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#Cc1cccs1 2338397832 VLHRBRDPAXPRNF-QGZVFWFLSA-N 278.461 4.991 30 10 CJEE CC(=CC[C@@]1(C=O)CCO[C@H](C)C1)CCCC(C)C 2338451521 CVOHESLCSBSLCF-IAGOWNOFSA-N 266.425 4.533 30 10 CJEE C=CCC(CC=C)N(C)[C@@H](C)c1sc(CC)nc1C 2338730464 QRPOGUWTTRMQER-ZDUSSCGKSA-N 278.465 4.528 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(C)ccc1F 2338733667 UWMVWUSZEZLLRV-KRWDZBQOSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1csc(C(F)(F)F)c1 2338737214 BIEVPKPYFREVFW-ZDUSSCGKSA-N 289.366 4.796 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2338904571 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2343781658 PUQPTCRBHIMDOH-SFHVURJKSA-N 256.389 4.756 30 10 CJEE C=CCC(C)(C)[C@@H](N)CC1CCC(C(F)(F)F)CC1 2344341426 BSAGQMDSWDNYRK-BPCQOVAHSA-N 277.374 4.675 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2344357996 STLSYYJMSNPPCR-WCXIOVBPSA-N 263.469 4.913 30 10 CJEE C=CCCCCCCCCC=C[C@]12C[C@H](CCN1)C2 2351565749 FIGAOHXRDAPKMC-HDICACEKSA-N 261.453 4.992 30 10 CJEE CSc1cc(N[C@H](C)c2ccc(C)s2)ccc1C#N 2353829503 BFESWHQMDWWJCH-LLVKDONJSA-N 288.441 4.823 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882090 FXKDHUVNPSBWGE-XCDZQEORSA-N 275.480 4.927 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@@H](OC)C[C@H]12 2357065903 NPDNVFGEIBRJOD-MHORFTMASA-N 281.484 4.530 30 10 CJEE CC(C)(C)C#CC=CCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2359394118 LIKVKAWYYQNAPL-JENIJYKNSA-N 273.464 4.541 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@@H](CC)NCC)cc1 2360218192 BINYXHBZBCDQIG-GOSISDBHSA-N 273.420 4.647 30 10 CJEE C=CCCCC[C@](C)(CCCC(C)C)OCCC(=O)O 2360236704 TVXLQFBXDSKUFR-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@](C)(CCCC(C)C)OCC(=O)O 2360242456 WQLPXYPVTFSDRI-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCC1(OC(CC2CC2)CC2CC2)CCC(=NO)CC1 2360317727 OZECVRUYLIBOCY-UHFFFAOYSA-N 279.424 4.525 30 10 CJEE C=CCC(CC=C)NCc1c(C)c(C)c(C)c(C)c1C 2360333370 KLSIQGSCZAQEEW-UHFFFAOYSA-N 271.448 4.839 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC1(F)F)OCCCN 2360460156 AHJPDPUYKBJIPC-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCOc1ccccc1CNC(C)C 2030582 IXEOSFZQDDVGDJ-UHFFFAOYSA-N 263.425 4.534 30 10 CJEE CC[C@H](C)c1ccccc1OCc1ccc(C#N)cc1 21797828 GXBSLQFNGOPZIQ-AWEZNQCLSA-N 265.356 4.651 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1cccc(Cl)c1Cl 37936906 YQHYVRBSOFQYOR-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C)c1ccc(Cl)cc1 49526172 RXJFCTWJOVKGTK-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C[C@](C#N)(Cc1c(F)cccc1Cl)c1ccccc1 57740110 JSDJJWOBIPNWNT-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Cc2cccc(F)c2)cc1 57750262 OHUCJHVKWNSBIR-MRXNPFEDSA-N 281.374 4.973 30 10 CJEE Cc1ccc(-c2nc3cc(C)c(C)cc3n2CCC#N)cc1 57801681 USHTWRKKQLTXSS-UHFFFAOYSA-N 289.382 4.542 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)Cc1ccco1 59434599 WPKSPWZEPAKQIG-GJZGRUSLSA-N 251.414 4.549 30 10 CJEE CCCCCCCNc1ccc(C#N)cc1Br 59460184 YSIOAUIEBKZBOH-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE CC(C)(C)c1c(CC#N)oc2c1ccc1ccccc12 77072280 BXRZDEZOVRPZLO-UHFFFAOYSA-N 263.340 4.950 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCCC(C)(C)CC1 86907949 XTMJIQSWNBUZCF-HNNXBMFYSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](C)C(=O)O 88230968 INDDWGZVOAHZQJ-MRXNPFEDSA-N 285.472 4.560 30 10 CJEE CC(C)(C#N)CCSc1cccc(CNC(C)(C)C)c1 90872584 SCKKKMILMZEGHW-UHFFFAOYSA-N 290.476 4.607 30 10 CJEE CCCCCCCCCOC[C@H]1CCCC[C@@H]1CN 91366959 JBSXWYXWFBBAOA-IAGOWNOFSA-N 269.473 4.519 30 10 CJEE CC[C@H]1CCCC[C@]1(O)C1(C#N)CCC(C(C)C)CC1 91886101 XFXUKUBGWYWYKT-JYSRZZCRSA-N 277.452 4.674 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 94328865 TXRZQVMCMQBJHQ-AWEZNQCLSA-N 296.336 4.958 30 10 CJEE SC[C@H](CN1CCCCc2ccccc21)c1ccccc1 94577969 QYSGBDGZIHEXEZ-SFHVURJKSA-N 297.467 4.543 30 10 CJEE CCCCCCC(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 97469471 FJCGDKDCMPXOJA-KRWDZBQOSA-N 271.404 4.957 30 10 CJEE CCC[C@H]1CCN(CCCCCCCCCS)C1 97799582 JBYOARVCHLJDGJ-INIZCTEOSA-N 271.514 4.769 30 10 CJEE CCCC#CCCc1ccc(OC)c(C(C)(C)C)c1 107613158 FSEUCVFOFNMKGF-UHFFFAOYSA-N 258.405 4.729 30 10 CJEE CCCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NCCC 112847021 ISTVANZCOANKIS-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCn1nccc1CNC(C)(C)C 112934206 DDCKCIATCNENSO-UHFFFAOYSA-N 279.472 4.522 30 10 CJEE CCCCCCCCSc1ccc(CC(=O)O)cc1 115331525 FJUAITCHTPJKKH-UHFFFAOYSA-N 280.433 4.766 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)c1ccccn1 117693449 RHQWRPRAQWWVGI-WBVHZDCISA-N 263.425 4.687 30 10 CJEE CCCCCCCCCC[C@H](O)C(CC)(CC)N(C)C 118168172 HBTTUPZSAPQEEQ-KRWDZBQOSA-N 285.516 4.999 30 10 CJEE CCCCCCCCC[C@H](O)C1(N(C)C)CCC(C)CC1 118182383 NSFFVNVSZOFJFO-XBMUEBEBSA-N 297.527 4.999 30 10 CJEE CCCCCC(C)(C)CNc1cc(C#N)cc(Cl)n1 122866671 VZBWAAQPJCBMRB-UHFFFAOYSA-N 279.815 4.625 30 10 CJEE CCCCCCC[C@@H](NC)c1ccccc1OCC 124822161 MWZUEXRALZENIS-MRXNPFEDSA-N 263.425 4.706 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCC[C@H](C3CC3)C2)c1 125710363 FDRCJZGNUXKGTM-KBPBESRZSA-N 274.795 4.592 30 10 CJEE C#CC[C@@H](CC)N[C@@H](CCC)c1ccc(Cl)cc1 129759382 QFESTUAOPRKVTC-CVEARBPZSA-N 263.812 4.573 30 10 CJEE CSc1cccc(NCC[C@@H](C)c2ccccc2)c1C#N 130546755 LJBITTPLZAXMGS-CQSZACIVSA-N 296.439 4.886 30 10 CJEE CCCCCCCOc1c(C#N)oc2ccccc12 130979784 RXDHHOFIYHOWMV-UHFFFAOYSA-N 257.333 4.654 30 10 CJEE CCCCc1ccc(/N=C/c2ccc(C#N)cc2)cc1 135860965 BLMGOWKLIOMCGZ-XSFVSMFZSA-N 262.356 4.651 30 10 CJEE CCSc1cccc(Oc2cccc(F)c2)c1C#N 136705774 VGRIQZWUNXWKCA-UHFFFAOYSA-N 273.332 4.602 30 10 CJEE CCSc1cccc(Oc2ccc(F)cc2C)c1C#N 136723353 DNVMCSBEIQTPCD-UHFFFAOYSA-N 287.359 4.910 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1CCCO1)NC 157841945 MDPPMKZIVYCLFP-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCn1ccc2cccc([N+](=O)[O-])c21 157991869 XVRICOUMKZTLFR-UHFFFAOYSA-N 274.364 4.910 30 10 CJEE C=C[C@@](C)(CCSc1ccccc1)CNC(C)(C)C 158921290 UETXVYMBEAKHCZ-KRWDZBQOSA-N 277.477 4.749 30 10 CJEE C[C@H](CCS)CCSCc1ccc(Cl)cc1 159184730 MTENINAWRRWIFW-LLVKDONJSA-N 274.882 4.919 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CC)SC 189895836 BTMNJEUQJILAGI-OAHLLOKOSA-N 291.460 4.619 30 10 CJEE CCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1 197386090 JGOVLRCBTRVOJW-XMHGGMMESA-N 267.372 4.788 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)NCCC)cn1 211714312 HICOUAXJTBJOLT-INIZCTEOSA-N 292.467 4.882 30 10 CJEE Cc1cccc(C#N)c1SCc1ccc(Cl)cc1 221503626 JWHLMTFFPFWCAB-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 221801354 ZSBMSICUWLSEAU-JKIFEVAISA-N 270.420 4.724 30 10 CJEE CCCCCCCCCC(=O)C[C@H](C)[C@H]1CCCNC1 226721401 JFNBGFQMPMLZRN-IRXDYDNUSA-N 281.484 4.722 30 10 CJEE CCCCCCCCCCNC1=N[C@H]2CCC[C@@H]2CS1 231342897 FMNRTYNKCIHBIJ-CVEARBPZSA-N 296.524 4.988 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)CC(F)(F)F 232932052 VXNNSUMSMYUQGB-VXGBXAGGSA-N 253.352 4.666 30 10 CJEE 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CCCCCCC[C@@H](NN)c1ccccc1CCC 384578904 WPROGJMKQGFURC-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@@H](C(C)(C)C)CCS1 391287482 NQIPOZYYTHYHRH-CYBMUJFWSA-N 284.513 4.700 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2cccc(C)c2)C1 394511224 DVBHZPZRIRXTNJ-VYDXJSESSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCNc1nc(C)c(C)nc1C 396945949 WAAHQXAPLKMHFO-UHFFFAOYSA-N 277.456 4.954 30 10 CJEE CC1CCC(CCNC[C@H](C#N)C2CCCCC2)CC1 397317595 PTMQGHXOPXMZCJ-HTWSVDAQSA-N 276.468 4.512 30 10 CJEE CCC[C@@](O)([C@H]1CC1(C)C)C1(C#N)CCC(C)(C)CC1 397589979 BOHHEJMIINPNOE-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1cc(C)sc1C 398137064 XWUKAPBVESBYJS-AAEUAGOBSA-N 251.439 4.760 30 10 CJEE N#C[C@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404237754 AVDUKESWUAHFCZ-RDDDGLTNSA-N 289.593 4.751 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(C#N)c(F)c1 404652707 SAERFYAZCHJYRW-CQSZACIVSA-N 276.399 4.536 30 10 CJEE C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(C#N)cc1F 512281155 JEDKXZVMJFRSTA-SECBINFHSA-N 292.716 4.663 30 10 CJEE 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CCCC1CCC(C#N)(C[C@@H]2CC(C)(C)CO2)CC1 708462235 ZAAIFKDTSSTTMV-CKDBGZEDSA-N 263.425 4.692 30 10 CJEE C[C@H](C[C@]1(C#N)CCc2ccccc2C1)C(C)(C)C 711133784 POSOZRLHRCEXOV-RDTXWAMCSA-N 255.405 4.758 30 10 CJEE C=C(CC)C[C@@H](C[C@@H]1CCCC1(F)F)NCCC 713949886 HBJGIUZSRHIVGL-KBPBESRZSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](C)CO1 718493067 QUYMPJQNMMKOEL-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=C1CCC(COc2ccc(F)cc2Br)CC1 724569205 FTFWMQWDWVHLTE-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE C=C1CCC(C[C@@](C)(CC)CNCC(C)C)CC1 724616152 JIKXPWFRUVYDIT-QGZVFWFLSA-N 251.458 4.785 30 10 CJEE C[C@@H]1CC(CC2(C#N)CCC(C)(C)CC2)C[C@@H](C)O1 724881827 GJYUWAUTDGXUIF-ZIAGYGMSSA-N 263.425 4.690 30 10 CJEE C=CCCCN(C)C(=O)/C=C(/CC)c1cccc(Cl)c1 744526733 QSWHRKMUCMJVCQ-YPKPFQOOSA-N 291.822 4.558 30 10 CJEE O=C1/C(=C/c2ccccc2)CCc2[nH]c3ccc(F)cc3c21 914557206 CHXVDIWCWCQKKU-JLHYYAGUSA-N 291.325 4.520 30 10 CJEE N#Cc1ccccc1N=Cc1c(Cl)cccc1Cl 1083986166 FMBBYUHZPFEDGQ-UHFFFAOYSA-N 275.138 4.616 30 10 CJEE C=CC1(CC(=O)NCc2csc(C)c2C)CCCCC1 1132026274 DHZDTSPCELCMQV-UHFFFAOYSA-N 291.460 4.508 30 10 CJEE C=C(C)CCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 1181879401 GZJFKUQZGHENSV-JKSUJKDBSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](CC)c2cc(F)ccc2OC)C1 1183898416 QGNHEFPCBCMQPQ-UNEWFSDZSA-N 291.410 4.620 30 10 CJEE C=C[C@@H](CC)CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 1353551224 UORVVIUMQJVTTM-INIZCTEOSA-N 299.458 4.903 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](CC(C)C)C2)CCCCC1 1457841419 LVMIDHOXUZMTLS-KRWDZBQOSA-N 291.479 4.798 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 1459335311 UCVHPEMIDBKDOL-HKUYNNGSSA-N 285.431 4.516 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(Cl)c1OCC 1461676473 PFNUGPNEVNBWQY-UHFFFAOYSA-N 295.854 4.821 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](C)c2ccc(SC)cc2)C1 1462155794 LHHSXLBYRFSWKU-DZKIICNBSA-N 275.461 4.804 30 10 CJEE C=C(CC)CN(Cc1ccc2ccccc2c1)C1CC1 1473119572 LFPMLKRTFWSADU-UHFFFAOYSA-N 265.400 4.770 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)N[C@@H](CCC(C)C)C(C)(C)C 1477911829 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30 10 CJEE CC=CCCC[C@@H](CCCCCCC)OCCCN 2276515662 UDYFGSQSZFVGHF-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC1(OCCN)C[C@@H](C)C[C@H](C)C1 2276760859 FOGZQWWIWHNUJZ-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C1=CCCC1 2278177695 WQGYIVUFSXJNAE-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CC1(C)CC1 2278180986 QENJSWMFUWYIIS-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE C#C[C@H](N[C@H](C)CCCCCCCCC)C1CCC1 2278227999 DGDQHGSWTRYVSS-AEFFLSMTSA-N 263.469 4.907 30 10 CJEE C=CCCCCCCCC(=O)c1c(C)cc(N)cc1C 2280555660 JDQZBGMWQQMKBU-UHFFFAOYSA-N 273.420 4.985 30 10 CJEE Cc1cc(NCC23CCC(CC2)CC3)cc(C)c1C#N 2280566529 CTOPOBCRLINAPG-UHFFFAOYSA-N 268.404 4.557 30 10 CJEE CC(C)[C@](O)(CC=CC#CC(C)(C)C)c1ccccc1 2284072022 ZVYFVHUGSJNHFI-LJQANCHMSA-N 270.416 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CC[C@@H]2CCCC[C@@H]2C1 2284111752 WCWBHVAGBIAPAK-SCTDSRPQSA-N 273.464 4.670 30 10 CJEE C[C@@H](N(C)CC=CC#CC(C)(C)C)C1(C)CCCCC1 2284138205 XTYXUIBDNUTKOH-QGZVFWFLSA-N 275.480 4.883 30 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2332782817 PWARCMRIICPSNQ-BQFCYCMXSA-N 260.421 4.742 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)[C@@H]1CC1(C)C 2335097612 AFGVVEZQEFRFOJ-JKSUJKDBSA-N 281.509 4.655 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNCC)cc1F 2335235149 MTZRCHONVVTCKO-UHFFFAOYSA-N 279.424 4.548 30 10 CJEE C=CCCSc1ccc(C)c(Cl)c1CNC1CCC1 2335576568 LBOFEGFHKXLIRV-UHFFFAOYSA-N 295.879 4.959 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1cccc(C)c1 2337110245 YWYZOYZGDJQAKA-BPQIPLTHSA-N 257.421 4.781 30 10 CJEE CCCC#CC[C@@H](NCC)c1ccc(F)c(C)c1Cl 2338553795 HADPMWUPVKZFFC-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=C[C@@](C)(CNC1CC1)Cc1ccc(Cl)c(Cl)c1C 2338706664 ZVPFUECNBDOMHJ-MRXNPFEDSA-N 298.257 4.789 30 10 CJEE C=CCC(CC=C)[C@@]1(C(=O)O)CCCC(C)(C)CC1 2338728461 VGYRVNZIBZSKIF-QGZVFWFLSA-N 264.409 4.816 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@]1(C)C=CCCC1 2338740816 IRXPCWZDAVHPKP-QZTJIDSGSA-N 261.453 4.869 30 10 CJEE C=C1CC(CNC(C)C)(C[C@H]2CCC(C)=C(C)C2)C1 2343389887 HUJARNPAXHEIMJ-KRWDZBQOSA-N 261.453 4.847 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC12CCCC2)NCCC 2344350157 ZJQDBPBPLHRADV-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE CCCCCCCNc1c(C)cc(C)cc1[N+](=O)[O-] 2344350917 GZWNPHAPGFVPMK-UHFFFAOYSA-N 264.369 4.594 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC12CCCCC2)NCCC 2344385075 NYGMBUPWSCRBDE-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@](C)(S[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)O 2352010351 QGTLBAVHXRGOMR-FQLMCAECSA-N 284.465 4.722 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCCC12CCCCC2 2352028357 STJUAXRHCXZUNC-MRXNPFEDSA-N 282.449 4.644 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC[C@H]1OC)NCCC 2358696206 JRRNAERORWCILR-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@H]1CO2 2359121559 VAEUYMQFXWFJMZ-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H]1C[C@H]1C(C)C 2360137960 FJZGHGTUVDGBEX-RCCFBDPRSA-N 283.500 4.763 30 10 CJEE CC(C)N[C@@](C)(C#N)C[C@@H](C)SC[C@H]1CC[C@H](C)CC1 2360512658 MCJFASNPJOHALG-QBPKDAKJSA-N 296.524 4.605 30 10 CJEE C/C(=N\Nc1ccccc1C(F)(F)F)c1ccccc1 6673934 CZYGYJPLDMLVPL-YBFXNURJSA-N 278.277 4.542 30 10 CJEE Cc1ccc(OCc2ccccc2C#N)c(C(C)(C)C)c1 11834134 PNTXSRJMQAGUKO-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE CC(C)Oc1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1 19922273 UMUWCSQYNFVEHV-CQSZACIVSA-N 280.371 4.519 30 10 CJEE N#C[C@H](NCCC1=CCCCC1)c1c(F)cccc1Cl 20175242 GLXYZDQVGYCTOW-HNNXBMFYSA-N 292.785 4.524 30 10 CJEE Cc1cccc(C(C)C)c1Nc1ccc(C#N)cc1F 36886509 APWPWARIYKDTEF-UHFFFAOYSA-N 268.335 4.873 30 10 CJEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1O 40429179 QNLAWVVTEVXBHF-SOFGYWHQSA-N 293.149 4.595 30 10 CJEE N#Cc1ccccc1Nc1ccnc2cc(Cl)ccc12 41055062 LCADQPVEOOPZSZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048388 SPSUUTHTHKGEHA-MELADBBJSA-N 285.416 4.503 30 10 CJEE Cc1cccc(C)c1OCCC[C@@H](C#N)c1ccccc1 57684460 BJQMWKWMNGGGLL-SFHVURJKSA-N 279.383 4.770 30 10 CJEE CCCCCCCCCN1C[C@@H]2CCCC[C@H]2C1 59315184 UKMNCGADSNJOJD-IRXDYDNUSA-N 251.458 4.859 30 10 CJEE N#Cc1ccccc1Oc1cc(C(F)(F)F)ccc1F 75914654 QODDYXIQYLAMDB-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCOc1ccc(C2(C#N)CC3(CCCCC3)C2)cc1 86537818 KQKJNOBSXLKHRD-UHFFFAOYSA-N 269.388 4.591 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCCOc2ccccc2)C1 87930303 OYVOWCYFZWNILZ-DOTOQJQBSA-N 257.377 4.566 30 10 CJEE SC[C@@H](COCc1ccc(Cl)cc1)c1ccccc1 94585893 NOIWRKRXTNIXNA-OAHLLOKOSA-N 292.831 4.570 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccccc1Cl 97208603 ASEWCGKXPXPSGL-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CCCCCCCN(CCC(=O)O)c1cc(C)cc(C)c1 105478912 XYDGGTCPAWFAID-UHFFFAOYSA-N 291.435 4.555 30 10 CJEE O=C1/C(=C\C2CCCCC2)CCCc2ccccc21 108892720 AFJJYWUBVIGGKR-SSZFMOIBSA-N 254.373 4.712 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCCO1 109709018 CDVIGUFFXPYDCI-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCCCCCC[C@H](NCCC)c1ncccc1C 109732226 QZNPORYHGYYJPH-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCCCCCC[C@H](N)Cc1ccccc1Br 109743176 VMKDNHRIEDRKKP-AWEZNQCLSA-N 298.268 4.679 30 10 CJEE CCCCCCC[C@H](Cc1c(F)cccc1Cl)NC 109744743 UFZLROINVIQAAU-CYBMUJFWSA-N 285.834 4.970 30 10 CJEE CCCCCCCCNc1ccc2c(c1)OC(F)(F)O2 109754778 IOCVSKJYPMVGQF-UHFFFAOYSA-N 285.334 4.781 30 10 CJEE C[C@H](CCNc1ccc(Cl)c(C#N)c1)c1ccccc1 109807083 YIVYPCLINUYAMF-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE CCCCCCCO[C@@H](c1ccccc1C)[C@@H](N)CC 109987533 MOSWNUTUBRHBEK-ROUUACIJSA-N 277.452 4.760 30 10 CJEE CCCCCCC[C@H](CN)N(CC)c1ccc(C)cc1 110025555 LFRFIUARULWLQO-GOSISDBHSA-N 276.468 4.509 30 10 CJEE N#Cc1ccc(O[C@@H]2CCCc3ccccc32)cc1Cl 110260021 OZTHUNMYUHNEIC-QGZVFWFLSA-N 283.758 4.668 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1CNCC(C)C 110326093 LCFNCYDHCPLSGS-IBGZPJMESA-N 296.543 4.837 30 10 CJEE CCCCCCCCCn1cc(-c2cccc(N)c2)cn1 110520618 WLAQMFBPQVJKLJ-UHFFFAOYSA-N 285.435 4.883 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(OC)cc1 112888489 WZHKXHFRSZZJJU-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 113047581 VJWXYEMGXKJZQB-XHDPSFHLSA-N 296.336 4.958 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(O)c(F)c1 113625816 AADSTNCPKQYQKD-LBPRGKRZSA-N 253.361 4.692 30 10 CJEE CCCCCCCCCN1CC2(CCCC2)NC[C@H]1CC 115242748 ULVACWDTLCNHLV-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](OCC)C(C)C 122858992 HEIYHICJFBNFCC-IRXDYDNUSA-N 272.473 4.939 30 10 CJEE CCCCCCCCCCN[C@H]1CCO[C@H](C(C)C)C1 129292395 ACPPWPTXWLRGIH-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCn1ccn(CCC)c1=O 130084396 ZGOOKBKJNCSBHV-UHFFFAOYSA-N 294.483 4.981 30 10 CJEE COc1ccc(C#N)c(Nc2ccc3sccc3c2)c1 130477429 ZGIYPRQWAFVIOO-UHFFFAOYSA-N 280.352 4.525 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCNC1 131684441 CFNMCRAFQRNWMC-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCSc1cccc(Oc2ccccc2F)c1C#N 136704218 KGBACZTXQFOMHW-UHFFFAOYSA-N 273.332 4.602 30 10 CJEE CSc1cccc(Oc2cc(C)ccc2C)c1C#N 136704475 SNHNLYODFKOYGX-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cscn1 157314383 GVOLLQFQKMOEGF-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCCCCCCC(=O)C1(c2ccc(N)cc2)CC1 158061001 GQDURGXLYSJFNJ-UHFFFAOYSA-N 273.420 4.620 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccncc1Cl 166970547 KNDBGCOFBBBXIW-OAHLLOKOSA-N 283.843 4.779 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(Br)s1 169243177 DCVZBFFCMGMPDT-SNVBAGLBSA-N 288.254 4.518 30 10 CJEE CCCCCCCOc1cc(N)cc(C(F)(F)F)c1 212845571 JMUHYVQPGWGDEL-UHFFFAOYSA-N 275.314 4.637 30 10 CJEE CCCCCCCCNc1ccc(C(F)(F)F)nc1 214505804 VZBIYNQEDQRKSB-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2csc3ccccc23)C1 218407620 SPLOEEZUMWPFIK-DQYPLSBCSA-N 285.412 4.655 30 10 CJEE CCCCCCCCCCN1CCC(C)(C#N)CC1 226318950 XSFYYIXJBLQVFB-UHFFFAOYSA-N 264.457 4.753 30 10 CJEE C=CC[C@H](NCCC)c1ccc(C(F)(F)F)cc1C 226553230 URFAEUINENYNPI-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE CCC(=CC(=O)c1cccc(OC(F)(F)F)c1)CC 232881334 DIDHDHVQCKOLEG-UHFFFAOYSA-N 272.266 4.514 30 10 CJEE CCCCCCCOc1nccc(C)c1Br 232956527 UWVJWPMWNOBYLD-UHFFFAOYSA-N 286.213 4.502 30 10 CJEE C=CCCCCC[C@](CC)(C(=O)O)c1ccccc1 233957434 XRSAKDIRRWOGEI-KRWDZBQOSA-N 260.377 4.556 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(C)cc2Cl)C1 234111336 IMEYGNYCWBHAQX-BBRMVZONSA-N 261.796 4.911 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c3ccccc23)cc1 235985201 NIMMIZHZRNFFQM-UHFFFAOYSA-N 259.308 4.812 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCC[C@@H](C(F)(F)F)C1 236301770 KSRNZDDKDYTVJW-MCIONIFRSA-N 277.374 4.819 30 10 CJEE CCCCCC[C@H](C)O[C@@H]1C[C@H](C)CC[C@H]1C#N 250816543 JIWTZGSVCCRAOF-FXUDXRNXSA-N 251.414 4.690 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)C1(C#N)CCCCCC1 252563432 XKDNEQJBSVGTRY-JFIYKMOQSA-N 277.452 4.674 30 10 CJEE CC(C)n1cc(CCC#N)c2cc(C(F)(F)F)ccc21 259962349 HRJSOVBXXAVLHG-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE N#CC[C@H](c1cccc(OCc2ccccc2)c1)C1CC1 260549324 OEXSFWHEAYZNHX-IBGZPJMESA-N 277.367 4.673 30 10 CJEE C=CCCCCN[C@@H](CC)c1ccc(Br)cc1 310091774 RPXWRSGQOZZCFM-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE Cc1cccc(NCC2CCCCCCC2)c1C#N 311283082 GKGJATKHHVKFNA-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE N#C[C@@]1(C[C@H]2CCCC(F)(F)C2)CCc2ccccc21 312135293 LPBLCUQZMILLES-CJNGLKHVSA-N 275.342 4.610 30 10 CJEE C=CCC(C)(C)CNCc1ccc(F)cc1C(F)(F)F 312352525 UCIQNVMFBNWPED-UHFFFAOYSA-N 289.316 4.536 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCCCC12CCCC2 313173319 UVZVHKOFZOSYBS-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CCCCCCCCCC[C@@]1(CNC2CC2)CCCO1 315062498 QSQMVKRWXPZGEO-SFHVURJKSA-N 281.484 4.818 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CC[C@@H](CC)C1 317956852 JBENHXAYDBWGQO-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE Cc1cc2ccccc2nc1[C@]1(C#N)CCC[C@@H](C)C1 380571663 IBFQUVZZGZUZDU-FZKQIMNGSA-N 264.372 4.515 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)c(F)cc(F)c1F 395908639 YMCLKCBVNLDEFM-GFCCVEGCSA-N 291.332 4.993 30 10 CJEE N#CCc1cc(C(F)F)cc2cc(Cl)sc12 396186011 FMFOFNIWBDYELX-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CC1 397479234 KQTHFUPQGVORCV-MRVPVSSYSA-N 289.593 4.608 30 10 CJEE CC(C)[C@H](CCc1ccccc1)NCC1CCC(C#N)CC1 442869861 PYOCYIKHFPWDEW-MHJFOBGBSA-N 298.474 4.563 30 10 CJEE C=CCCCSCc1sc(C)nc1C(F)(F)F 545341617 IOEYDANIDLQSEX-UHFFFAOYSA-N 281.368 4.670 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H](C)c1ccccc1 686690030 OEWRLDVTERGWCP-MJGOQNOKSA-N 271.448 4.742 30 10 CJEE C#CCCCCCC(=O)c1ccc(C)c(C(F)(F)F)c1 686702253 FDNFPNYESMPPGV-UHFFFAOYSA-N 282.305 4.780 30 10 CJEE CCCCCCCC(=O)Nc1ccc(Cl)c(C#N)c1 690217640 XIVXOAXTSQIGBV-UHFFFAOYSA-N 278.783 4.511 30 10 CJEE Cc1c(Cl)cc(NC[C@H](C#N)C(C)(C)C)cc1Cl 690289042 UVWNMFPMHAVTDV-JTQLQIEISA-N 285.218 4.900 30 10 CJEE CC(C)(C)[C@@H]1CCC/C(=N\[S@](=O)C(C)(C)C)CC1 691992397 KDHRNKGKOARQKD-IIAYTSGUSA-N 271.470 4.516 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(F)ccc1F 692233691 CRJHZXFYXQVCRI-XNJGSVPQSA-N 279.374 4.750 30 10 CJEE C[C@@H](CC1(C#N)CCC(C)(C)CC1)c1ccccn1 692888104 VPCSBFMPQQBTPO-AWEZNQCLSA-N 256.393 4.685 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](OC)C1CCCC1 692950136 MQOIIRPUFBPUOE-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC(=O)C1C[C@H]2[C@H](C1)C2(F)F 693381801 OZWPHXBSIQIQSV-KBPBESRZSA-N 272.379 4.988 30 10 CJEE CCCCc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 695814374 FVCMAZZKIQPQAL-CQSZACIVSA-N 258.409 4.769 30 10 CJEE C[C@@H](CCS)CCN(C)[C@@H]1CCCC(C)(C)CC1 697831944 YVUWZNWLAIQHDO-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699122886 QZTCWVFTNQUIKS-BFYDXBDKSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CNC1CC(c2cccc(F)c2)C1 703987829 GKQABVKHGIKUCW-UHFFFAOYSA-N 275.411 4.654 30 10 CJEE C[C@H]1CCC[C@](C#N)(CC2(c3ccccc3)CC2)C1 704045094 YQOATIHFLUNBBC-DOTOQJQBSA-N 253.389 4.828 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(SCC)cc1 710581393 DDPQCUTYIKVEQN-CQSZACIVSA-N 269.841 4.592 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C(C)(C)C)cc1 715796131 OGVZLVYBSDBGER-RHSMWYFYSA-N 259.437 4.847 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H](CC)c1ccccc1 715801700 ZGBREYHWKVMYGB-JQHSSLGASA-N 259.437 4.761 30 10 CJEE C=CCCC(C)(C)Nc1c(Cl)cc(N)cc1Cl 717611974 JHWTUDMVUIQSQR-UHFFFAOYSA-N 273.207 4.732 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H](C1CCCC1)C1CC1 723852316 LCKZPMIMKFOOAB-MRXNPFEDSA-N 274.795 4.592 30 10 CJEE C[C@@H]1CC(C#N)(Cc2ccc(Cl)cc2Cl)C[C@@H](C)O1 724288269 GEMQLNZOYDOCIY-GHMZBOCLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(Cn2c(S)nc3ccc(Cl)cc32)CC1 724461990 GVIFIDHNUVJXHT-UHFFFAOYSA-N 292.835 4.725 30 10 CJEE C=C1CCC(COc2cc(CCC)sc2C(=O)O)CC1 724590606 YLWYITOWDCFUBF-UHFFFAOYSA-N 294.416 4.524 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(Cl)c2)CC1 724599223 KLKIBZHEAQQAGJ-HNNXBMFYSA-N 250.769 4.510 30 10 CJEE C=CCn1c(SCCCC2CCC2)nc2ccccc21 1164498662 ZLBCWZLXHFUIKH-UHFFFAOYSA-N 286.444 4.895 30 10 CJEE C=CCN(Cc1cccc(CC)c1O)CC1CCCCC1 1180293364 ZWRZAJSJAGLJRB-UHFFFAOYSA-N 287.447 4.523 30 10 CJEE C=CCCCCC[C@@H](C)NCCc1cccc2[nH]ccc12 1181196044 HNBVWSIXDIEJMT-MRXNPFEDSA-N 284.447 4.825 30 10 CJEE C=C(C)CCN[C@H](C)[C@H](C)c1ccccc1C(F)(F)F 1193248251 CWARYSPLKWUCCJ-QWHCGFSZSA-N 285.353 4.753 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C1CC2(CCCCC2)C1 1264399295 VVHCVUWRZHSMHV-UHFFFAOYSA-N 297.442 4.562 30 10 CJEE C=CCCCN(CC)C(=O)c1sccc1-c1ccccc1 1289544218 MBJACIBUFIORJI-UHFFFAOYSA-N 299.439 4.843 30 10 CJEE C=CCCCCCN[C@H]1CCC[C@H]1CCC(C)C 1307691162 QJMRJNFGXRYHCM-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)NCC(C)(C)CCCCC 1312222000 QNWZSVMMSLPINO-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C(C)=C/c1ccc(Cl)cc1 1357587499 SDSYZOZBHQRBIY-XTZCOPOCSA-N 291.822 4.604 30 10 CJEE C=CCCC[C@H](C(=O)NCCC=C(C)C)c1ccccc1 1435881277 RUGGRDRUHMRXOR-SFHVURJKSA-N 285.431 4.599 30 10 CJEE C=C[C@H](OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1 1437638229 HUCHHRRQHHUCDQ-HBFSDRIKSA-N 292.378 4.651 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(C(C)C)nc2C)c1 1439932461 RHVLCQHGSWPZQE-UHFFFAOYSA-N 294.398 4.799 30 10 CJEE C=C[C@](C)(CC)C(=O)Oc1ccc(CCCC)cc1 1458466695 IMLHCSHMSBYSJV-QGZVFWFLSA-N 260.377 4.537 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 1459335330 UCVHPEMIDBKDOL-MJGOQNOKSA-N 285.431 4.516 30 10 CJEE C=CCC1(NCc2ccn(C(CC)CC)n2)CCCCC1 1460629149 AVGSYHDJJLGFAG-UHFFFAOYSA-N 289.467 4.613 30 10 CJEE C=C(C)CN1CCC(C)(C)c2ccc(Br)cc21 1473414589 FAGKAJFQBURGFY-UHFFFAOYSA-N 294.236 4.513 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1CC 1528291277 RRRSPVRXBQMBNV-QRVBRYPASA-N 299.458 4.506 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1583683126 JREASMGMXMUNEH-UHFFFAOYSA-N 277.383 4.664 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 1586807643 FESFSVKTPZMWQB-GDAAHCPNSA-N 297.442 4.526 30 10 CJEE C=C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(C)(C)C)c1ccccc1 1597140968 ZIHUVHOOLAFLCO-NXHRZFHOSA-N 299.458 4.677 30 10 CJEE CCOc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614755445 JPWRKAWTNXZQFV-UHFFFAOYSA-N 290.284 4.504 30 10 CJEE C=CC[C@@H](C)Sc1cc(CC)c(OC)cc1C 1614798540 GOVASAYLKQLTMS-GFCCVEGCSA-N 250.407 4.623 30 10 CJEE CCN(CC)c1ccc(C#Cc2ccc(SC)cc2)cc1 1614826467 UYZMRUZAZAIJIC-UHFFFAOYSA-N 295.451 4.655 30 10 CJEE C=CCC[C@@H](C(=O)NC[C@@H](C)C(C)(C)C)c1ccccc1 1616540759 YBDQPBBVLARXCY-NVXWUHKLSA-N 287.447 4.535 30 10 CJEE C=C[C@@H](CC(=O)NCC[C@H]1CCCC1(C)C)c1ccccc1 1618464546 MDXIMWZDIFHWKW-FUHWJXTLSA-N 299.458 4.679 30 10 CJEE C=C(C)CCNC/C(C)=C/c1ccccc1C(F)(F)F 1620945764 UGTPBTJHCNQLNN-JLHYYAGUSA-N 283.337 4.665 30 10 CJEE C=CCCCCCN(C)CCc1cccc(Cl)c1 1621174788 JHPDHJKCLBPBTB-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE 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4.520 30 10 CJEE C=CCCCCCCCSc1nc(Cl)ns1 2244560446 XIUSBXDGZQGONA-UHFFFAOYSA-N 276.858 4.810 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1SC[C@@H]1CCCCC1(F)F 2256100576 ZCRGBJHTDILSEH-AVGNSLFASA-N 273.392 4.627 30 10 CJEE CCCCCCCCNc1ccc(CF)cc1N 2256355771 GZBNKTUMFBSBID-UHFFFAOYSA-N 252.377 4.511 30 10 CJEE Cc1cc(C2=CCCCCC2=O)cc2ccsc12 2256871419 CDPHGNDTEJMOGM-UHFFFAOYSA-N 256.370 4.736 30 10 CJEE C=CCCCCCCCSc1ccc(C#N)cn1 2258985915 NFPVQQQTXNZQFO-UHFFFAOYSA-N 260.406 4.572 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](NC)[C@@H]1C 2259058693 KFGCOTTYHUIXBW-HRCADAONSA-N 269.498 4.633 30 10 CJEE C=C(C)CCCC[C@@H](CC1CCSCC1)NCC 2259196962 RLZUQGGPNNGKNP-INIZCTEOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CCCC1(F)F)NC 2259213224 TYJQNXWLDWJIQC-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CCCC[C@H](CC)CSc1nccc(C)c1C#N 2263768942 NQFOFLRPDDOGOT-ZDUSSCGKSA-N 262.422 4.570 30 10 CJEE C#CCCCC[C@@H](C[C@H]1CCCCC12CC2)NCC 2264844882 DVHYHAFXFLWZRC-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCC(C)(C)N(CCC#N)CC[C@@H]1CCC[C@H](C)C1 2265054801 QSBRXQIHBTUALC-HOTGVXAUSA-N 264.457 4.607 30 10 CJEE CCC1CCC(Nc2cc(C)c(C#N)c(C)c2)CC1 2265847135 HQHZULGVPGRGIZ-UHFFFAOYSA-N 256.393 4.556 30 10 CJEE CC(C)(C)C#CC=CCc1cccc(C(F)F)c1F 2268747579 XCVIHAKRXJKNGU-UHFFFAOYSA-N 266.306 4.912 30 10 CJEE C=C1CC(CCCCC[C@H]2C[C@H]2C)(CNCCC)C1 2269467849 JMBRYBRJUIFEAT-SJORKVTESA-N 263.469 4.929 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCCC1(C)C 2271626905 UQVNFAYGOGKATN-RHSMWYFYSA-N 265.441 4.938 30 10 CJEE C=C(C)CCCCN1CCC(c2ccccc2)CC1 2271748237 SNUPCHAVQJAYSO-UHFFFAOYSA-N 257.421 4.612 30 10 CJEE C=C(C)CCCC[C@](C)(O)c1cc2ccccc2o1 2271775709 JYXFUYKJGOXFIL-KRWDZBQOSA-N 258.361 4.777 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(C(C)(C)C)nc1 2271849634 LMVWWBKKSJYURP-HNNXBMFYSA-N 260.425 4.515 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@H](CC)CCC(C)C 2272071176 YWMJQVCULLUIHJ-IAGOWNOFSA-N 269.473 4.528 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C=O)CCCOCC1 2272253202 PNSZOHJNZMENFT-DLBZAZTESA-N 268.441 4.615 30 10 CJEE CCCCCCC[C@](C)(CC(C)(C)C)OCCCN 2276087115 VIOKVJDNPWQBRR-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C=C(C)CCC1 2276784789 MNRZJAUHEIMYBE-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C[C@@H]1CC[C@](C=O)(CCC23CC4CC(CC(C4)C2)C3)C1 2279869338 WOGSABDDOOOUAX-ONBNRTMESA-N 274.448 4.988 30 10 CJEE C=CCCCCCCCN1C[C@@H]2[C@@H](C(F)(F)F)C[C@H]2C1 2281164948 IMJPCJDNYYOXNG-KKUMJFAQSA-N 289.385 4.643 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)c1cc(F)cc(Cl)c1 2284076431 NIPZKLXTSIDOKV-QGZVFWFLSA-N 294.797 4.682 30 10 CJEE C[C@H]1CCC[C@@](CC=CC#CC(C)(C)C)(C(=O)O)CC1 2284180812 OHRZZOXLAMLEMN-MAUKXSAKSA-N 276.420 4.653 30 10 CJEE CCCCCCCC(=O)c1c(OC)cc(C)cc1OC 2287164742 BDIPWSWYWFOOAI-UHFFFAOYSA-N 278.392 4.555 30 10 CJEE C=CCCSC[C@H](NCC)c1ccc(C(C)(C)C)cc1 2287191288 AHZHQRIAJOBLON-KRWDZBQOSA-N 291.504 4.944 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc2c1COC2 2287372660 NZNSSGHKHDSCIS-SFHVURJKSA-N 273.420 4.504 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)[C@H](CC)CCC 2287680839 IOJFGAPFQIQAOY-FGTMMUONSA-N 283.500 4.678 30 10 CJEE CCC[C@](C=O)(CC)CN(CC(C)C)c1ccccc1 2287701876 DYJXFNBDTAEZGK-GOSISDBHSA-N 275.436 4.544 30 10 CJEE CC(C)C1CCC([C@](C)(O)CC#CC2CCCC2)CC1 2289899720 UEMMSWOXNFUOCL-CTWPCTMYSA-N 276.464 4.784 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C1CC(CC(C)(C)C)C1 2289945717 QKAOKJCQTFYNRN-JCYILVPMSA-N 276.464 4.806 30 10 CJEE C=CCC[C@@H](C)[C@@](CC)(CCC(C)C)OCCC(=O)O 2291002119 BOOPAMPRSMQIIL-NVXWUHKLSA-N 284.440 4.665 30 10 CJEE C=C(C)CC1(OCCC(=O)O)CCCCCCCCC1 2291174147 RAKYSSNCYCABMT-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCC[C@@H](C)[C@@H](CCCCCCC)OCCC(=O)O 2291662302 DMXMADSEPVFNOR-HZPDHXFCSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CCC[C@@H](C)C1 2291756319 STSRRVYDIJCDLI-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1cscc1C 2293354359 WKVVOOKWKPBYQM-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cc(F)ncc1F 2295596439 KTRWFGNQYYIMLH-INIZCTEOSA-N 285.378 4.708 30 10 CJEE CCCCCCSC[C@H]1CCC[C@](C#N)(NC(C)C)C1 2295762230 VJGMUGPIPNYRRC-IRXDYDNUSA-N 296.524 4.750 30 10 CJEE CCCC[C@H](CC)CSCCC[C@](C#N)(CC)NCC 2295762981 CWPDRPCCKZYEFM-IRXDYDNUSA-N 298.540 4.998 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccccc1Br 2298829141 VVROTDOHCXKRBB-LBPRGKRZSA-N 294.236 4.621 30 10 CJEE C=CC[C@@H](C)Sc1c([N+](=O)[O-])ccc(Cl)c1Cl 2298889483 WNEADKQPLVUVCO-SSDOTTSWSA-N 292.187 4.958 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cscc1C(F)F 2304027652 JZQHDIXBPSYOET-WCQYABFASA-N 259.365 4.678 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312879899 LCULQJZXXVGRFQ-LTIDMASMSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1C[C@H](N)CC 2313530909 CLUVHRBTVVELAJ-SMDDNHRTSA-N 283.868 4.677 30 10 CJEE C[C@@H](CC1CCC1)[C@@]1(C=O)CCCC(C)(C)CC1 2313665530 CIMVXGMQQQGPFW-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE C=C1C[C@H]1[C@H](CCC(C(C)C)C(C)C)NCCC 2319253837 YCIVNIHOIAWHJL-SJORKVTESA-N 251.458 4.639 30 10 CJEE CCCC(CS)(CCC)COCC[C@@H]1C[C@H]1CC 2320435505 AFGXYWDSHYUNPF-HUUCEWRRSA-N 272.498 4.956 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1cc(Cl)ccc1Cl 2321094850 CQZLOIVWOZCHGE-CABCVRRESA-N 286.246 4.856 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C(F)F)cs1 2321100345 AJELUIMTWBQLTQ-TZMCWYRMSA-N 273.392 4.939 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC[C@]12CCC[C@H]1C2 2327110389 SPYUNSYKPTURSQ-BPUTZDHNSA-N 270.482 4.566 30 10 CJEE C#CCC[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327887297 VHEHZIMDLDONLT-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE Cc1cc(Cl)c(C(=O)CC#C[Si](C)(C)C)c(Cl)c1 2327923381 MXKHCTMYJHBQED-UHFFFAOYSA-N 299.273 4.755 30 10 CJEE CCCCC[C@H](CC)N(C)C[C@@H](CS)CC(C)C 2328532855 RHGSJRLUYANSIH-HOTGVXAUSA-N 273.530 4.869 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NN 2329579374 CDLDZQLAOXBHEO-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE Cc1ccccc1CON=C(c1ccc(Cl)cc1)C1CC1 2330310042 PBYSTZNKMYRDJO-UHFFFAOYSA-N 299.801 4.979 30 10 CJEE C=CCCCCCCN[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 2334218015 KDOWGEZBTWYGJC-CWQOZTLDSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@H](NC)[C@@](C)(O)CCCC(C)C 2337746360 BDGKPPRSTPXHNE-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@H]2C[C@@H]21 2338735345 KOHAPPFWTJNLFA-MHORFTMASA-N 261.453 4.559 30 10 CJEE N#Cc1ccc(N[C@H]2C[C@H]3CCC[C@H]2CC3)c(Cl)c1 2339014303 QLEYYLWSKMZIIL-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE Cc1c(CNCC#CC2CCCC2)ccc(Cl)c1Cl 2339109357 AKYDMPPJJXBMSZ-UHFFFAOYSA-N 296.241 4.585 30 10 CJEE C#C[C@H](c1ccc(Cl)c(Cl)c1C)N1CCCCCC1 2340456318 XXOBTRMTERAPJQ-OAHLLOKOSA-N 296.241 4.852 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccccc2C2CC2)C1 2341743950 DKJFAKGUMYRSIC-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE C=CCCCCCC[C@H](NC)c1ccc(COC)s1 2342073700 GBDNANNGMFOHBP-HNNXBMFYSA-N 281.465 4.682 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(C2(C)CC2)cc1 2344397336 RSZTVQOVUFUERJ-IRXDYDNUSA-N 257.421 4.730 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc2c(c1)CCCC2 2344468551 PDUOLGRNQGWTEQ-MSOLQXFVSA-N 258.405 4.591 30 10 CJEE C=C[C@]12C[C@H](CCN1CC=C(C)CCCC(C)C)C2 2351690121 ISXMZHSDYZPSMP-HDICACEKSA-N 261.453 4.800 30 10 CJEE C=CCCCCCCCCOC[C@]1(CS)CC1(F)F 2351885399 JGIHOYBUNCFZSI-AWEZNQCLSA-N 292.435 4.875 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1cc(C#N)ccc1Cl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c1cccc(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 19992659 JAJBLRGWURIPEA-UYIIGHAYSA-N 279.427 4.685 30 10 CJEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CCCCCCC2)C1 37146721 CIZMTYFSQVYGHI-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CCCN[C@@H](CC)c1ccc(-c2cccc(C#N)c2)cc1 38070589 UPKNJTWVRMKBCK-IBGZPJMESA-N 278.399 4.676 30 10 CJEE CC(C)c1ccc(CN[C@@H](CC#N)c2ccccc2)cc1 55018719 KBTOPAQPNOCWPI-IBGZPJMESA-N 278.399 4.555 30 10 CJEE CCc1ccccc1OCC[C@H](C#N)c1ccccc1C 57686946 KSRCHYGUMDVBSS-QGZVFWFLSA-N 279.383 4.634 30 10 CJEE CC(C)c1ccccc1/N=C1/N[C@@H](c2ccccc2)CS1 63001258 ZLAVBFKRQFNHMC-QGZVFWFLSA-N 296.439 4.875 30 10 CJEE Cc1ccc2c(c1)c(C#N)c(Cl)n2CCc1ccccc1 71465090 DULQGCAJNOAGKA-UHFFFAOYSA-N 294.785 4.718 30 10 CJEE N#Cc1cc(-c2ccc(Cl)s2)oc1C(F)(F)F 77086552 STDKVOJLNLAXTO-UHFFFAOYSA-N 277.654 4.552 30 10 CJEE C[C@@H]1CC(Nc2ccc(C(F)(F)F)cc2C#N)C[C@@H](C)C1 84978435 OJCMIVQCPMSVPM-QWRGUYRKSA-N 296.336 4.814 30 10 CJEE SCCCCCCSc1ccccc1Cl 87096458 SCUVGIOTDYMBEE-UHFFFAOYSA-N 260.855 4.922 30 10 CJEE CCCCCCCCCCCCN(CC(=O)O)CC1CC1 88230954 HPEYPHLSWJYYRE-UHFFFAOYSA-N 297.483 4.704 30 10 CJEE CC1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1 88691791 HTMQWLDNWNBMMB-UHFFFAOYSA-N 268.187 4.965 30 10 CJEE CCCCCCCCCOC[C@H]1CCCC[C@H]1CN 91366963 JBSXWYXWFBBAOA-DLBZAZTESA-N 269.473 4.519 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876016 FFZQLFJMZUKWDO-JOKDJRIQSA-N 277.452 4.674 30 10 CJEE CCc1ccc([C@@](C)(O)C2(C#N)CCC(CC)CC2)cc1 91878581 PPWVSRVXQLSEBN-CUYAVPTFSA-N 285.431 4.567 30 10 CJEE Cc1cccc(OCC2(CS)CCCCC2)c1C 94582694 XJUVRORAPYEACT-UHFFFAOYSA-N 264.434 4.563 30 10 CJEE CCCC(CS)(CCC)CSCCN(CC)CC 94589703 YWJFHHFRNFFFOY-UHFFFAOYSA-N 291.570 4.578 30 10 CJEE CN(C1CCC(C)(C)CC1)[C@@H](CC#N)c1ccccc1 94859672 SZFXAUIBOADFFB-KRWDZBQOSA-N 270.420 4.542 30 10 CJEE CCCCCCCNC[C@@H](CC)Oc1ccccc1C 100027230 OCQQATXGQSHQGB-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCCCCCCNCc1ccc(OCCC)c(OC)c1 100126145 CAQBMQDFDKXXFH-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCc1cccc(N/C=C\C(=O)c2ccc(C)c(C)c2)c1 103030548 UUBXYVVZUPYNJA-KHPPLWFESA-N 279.383 4.674 30 10 CJEE CCCCCCCCO[C@H](c1sccc1C)[C@H](C)N 103975291 ZEIAJYBXJDRTET-GJZGRUSLSA-N 283.481 4.822 30 10 CJEE CCC1CCC(Nc2ccc(Cl)cc2C#N)CC1 104155220 REQRLYIMJVFLOQ-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CCC#CC[C@@H](C)c1cc(Cl)cc(Cl)c1OC 107655005 SXRULRAKYLXGPF-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CC#C[C@H](C)Cc1cc(C)cc(C)c1OCC(C)C 107666235 SUYUJLZIOHWAPI-AWEZNQCLSA-N 258.405 4.540 30 10 CJEE CCCCCCCCNc1cc(F)c(F)c(F)c1 109956782 CZADVOZKVRSDSV-UHFFFAOYSA-N 259.315 4.876 30 10 CJEE CCCCCCCCCCCCN1CCC[C@]1(C)C(=O)O 112791594 AXRXZFJAQKMWRI-GOSISDBHSA-N 297.483 4.846 30 10 CJEE CCCCCCCCCCCCN1CCNCC1(C)C 113210395 OKHLFBCAFVQUPX-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCc1nnc([C@H](CC)NCCC)s1 115277043 HFZOVKBLZHNXSJ-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCCC[C@H](CCCOC)NCCC 115747139 HEVYBXHBSAWODU-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCC(=O)[C@H](C#N)c1cccc(OC)c1 115858106 MWQHHAQYCMECAQ-QGZVFWFLSA-N 287.403 4.622 30 10 CJEE CCCCCCCCCN1CC[C@@H](O)c2ccccc21 123572945 VHDRWEQLGOUHJM-GOSISDBHSA-N 275.436 4.681 30 10 CJEE CCSc1cccc(NC2C(C)(C)C2(C)C)c1C#N 127081290 UVVHQCHJKADWAF-UHFFFAOYSA-N 274.433 4.517 30 10 CJEE CCCCCCCCOCC(C)(C)CNC(C)(C)C 129476139 BCPPHZUBBFMIQH-UHFFFAOYSA-N 271.489 4.778 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCC(C)(C)C[C@@H]2C)CC1 132204580 LPWBTNQEUMGYLU-NHFHULPWSA-N 291.479 4.920 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(COC)o1 133002711 IHLZPFBABWDDJB-INIZCTEOSA-N 281.440 4.827 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1snnc1C 140370309 GCFZGPOIDUZRQN-CQSZACIVSA-N 283.485 4.638 30 10 CJEE Cc1cc(C)cc([C@@](C)(O)C2(C#N)CCC(C)(C)CC2)c1 148735562 ARIFXHHVGQOECO-GOSISDBHSA-N 285.431 4.621 30 10 CJEE Cc1ccccc1/C=N\Nc1nc(-c2cccs2)cs1 169967593 AAFOJWKTUONZAK-SXGWCWSVSA-N 299.424 4.626 30 10 CJEE Cc1ccc(CNc2nc(-c3ccccc3)ccc2C#N)cc1 218479339 HQSGEVYTMLLBPQ-UHFFFAOYSA-N 299.377 4.541 30 10 CJEE CCCCCCCCCCCCC(=O)CC[C@@H](C)N 226366371 HFLPROKNLCBAFM-MRXNPFEDSA-N 269.473 4.994 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)cc2c1OCC2 228468093 KFGURAHXUUAAAB-HNNXBMFYSA-N 281.827 4.635 30 10 CJEE C=C[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 229324802 JJJBBGZTMHNALB-NOZJJQNGSA-N 258.192 4.609 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(C)nc(C)c1 231661267 ONPPTHRFTNPODH-QGZVFWFLSA-N 262.441 4.839 30 10 CJEE CCc1ccc(Oc2ccc(C#N)c(Cl)c2)c(OC)c1 232342234 SITFKGVUJXFGGG-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C)c1Br 233122923 JPZDMZPGYSNBMV-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc2cccnc12 234441998 LBYMXNPSINWUPW-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE C=CCCCCC[C@H](O)CSc1cccc(C)c1 235802050 MDIWZQZVKJIPMU-HNNXBMFYSA-N 264.434 4.585 30 10 CJEE O=C(C1=CCCCCCC1)c1nccc2ccccc12 236394168 ITXOGBMWSRRNBK-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1N 250815077 IXNKHRWXLHHFJM-ARFHVFGLSA-N 269.473 4.516 30 10 CJEE CCC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251403586 VWXHQONBCXIJKV-WNRNVDISSA-N 290.495 4.996 30 10 CJEE COc1ccc(N=Cc2ccc(OC)c3ccccc23)cc1 252621736 NFUMXZFJPYNPJM-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1[C@H]2CCC[C@H]21 252903089 NWIQWXPTUOCQKJ-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CCCCC2(F)F)CC1 317412997 MWEBEZHXZBMBND-MOKVOYLWSA-N 258.352 4.597 30 10 CJEE C=C[C@H](C)C1(CNCCC)CCC(CCC)CC1 318799432 RDSMPQCJQSJYBB-GTPINHCMSA-N 251.458 4.785 30 10 CJEE C=CCC(C)(C)CN[C@H]1c2ccccc2CCC1(C)C 380514575 ALLCXNCDMUPEJU-KRWDZBQOSA-N 271.448 4.892 30 10 CJEE C[C@]1(C=O)CCC2(CCCCCCCCCCC2)O1 382230856 UUCISMMZBDPASP-MRXNPFEDSA-N 266.425 4.798 30 10 CJEE C=CC(C)(C)CN[C@@H](CC)c1cccc(Br)c1 385026304 JJMDBMPVACWMJA-AWEZNQCLSA-N 296.252 4.702 30 10 CJEE CC1CCC2(CC1)CS/C(=N/[C@@H](C)CCC(C)(C)C)N2 386353211 NGCCCHKMUFXVKD-UUCFBXCCSA-N 296.524 4.843 30 10 CJEE C=CCC(C)(C)CNCc1ccc(C(C)(C)C)s1 386748272 DVCUQMZJQXKIRV-UHFFFAOYSA-N 265.466 4.738 30 10 CJEE CC(C)(C)C[C@H]1CSC(=Nc2cccc(C(F)F)c2)N1 393497825 WYDZIRZPZJURGP-LBPRGKRZSA-N 298.402 4.753 30 10 CJEE CC[C@@H](COc1c(C)cc(C#N)cc1C)CC(F)(F)F 402289849 KUZBUQPQHUGCQG-GFCCVEGCSA-N 285.309 4.533 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C)s1 440587943 IEWLNGABEPGJJE-UHFFFAOYSA-N 292.448 4.657 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1CC2(CC2)C1 613900759 JSKUBZSGXYQVCO-UHFFFAOYSA-N 283.415 4.667 30 10 CJEE C#CCCCCC[C@H](NC)C1CCC(C(F)(F)F)CC1 686691642 OUNULYWTCOHGQU-NRXISQOPSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCCC(=O)C[C@](C)(N)C1CC1 687130078 GLDPXLODTGTRTJ-KRWDZBQOSA-N 267.457 4.604 30 10 CJEE CCCCCCCCCCCCN(CCO)CC1CC1 688340251 RUCUURYGFCYXDW-UHFFFAOYSA-N 283.500 4.612 30 10 CJEE C[C@@H](C1CC1)N(Cc1ccccc1)[C@H](C)CC(C)(C)C#N 695781243 NULUPKKOUFVUQY-CVEARBPZSA-N 284.447 4.615 30 10 CJEE CCCCCCCCCC[C@@H](N)c1c(Cl)cnn1C 696423652 MOKYJCVQYMDLGI-CQSZACIVSA-N 285.863 4.604 30 10 CJEE C#CCCC[C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 698996276 MEJRWSPJNCRGBI-SOLBZPMBSA-N 263.469 4.621 30 10 CJEE C=CCC[C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699081690 YYSYWSFJAXPOFM-BFYDXBDKSA-N 251.458 4.783 30 10 CJEE CC[C@@]1(C)CS/C(=N/CC2CC(C)(C)CC(C)(C)C2)N1 699568354 SMFLDONFQBMQIU-KRWDZBQOSA-N 296.524 4.700 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC[C@@H](CC)C2)C1 703249949 JAWZEPPLMQHBCG-TVFCKZIOSA-N 276.468 4.607 30 10 CJEE C=CCCC(C)(C)CNCC/C=C/c1ccccc1 704007969 IWNBMKQECTYEDN-UKTHLTGXSA-N 257.421 4.672 30 10 CJEE CCCCCCCn1c(C)cc2c1CC(C)(C)CC2=O 705861794 GMXHVLNDZNABCK-UHFFFAOYSA-N 275.436 4.922 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@]1(O)C1(C#N)CCCCCCC1 713118202 JIRHFAPBMJHTFT-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NCCC 717002354 KMSKSHDHPFRIJP-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](C)[C@@H]1CCCO1 720188366 RAIAMVDSFYXTCM-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CC[C@H]1OC 724210131 OFBKYHGGXBPDJO-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CC3CCC2CC3)CC1 724595990 DZBBXYBNPHGZIW-SOTJZCEJSA-N 275.480 4.927 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](CC)c1c(C)nn(C)c1C 793531147 DCGIPRDDVPSIPM-PBHICJAKSA-N 291.483 4.603 30 10 CJEE c1cnc2sc(NN=C3CCC(=C4CCC4)CC3)nc2c1 857218360 PAQLHBKBUWJNJX-UHFFFAOYSA-N 298.415 4.514 30 10 CJEE C=CCCC[C@@H](NC(=O)C=C(CC)CC)c1ccccc1 1132948520 AUDXHKPIOSLTRA-GOSISDBHSA-N 285.431 4.947 30 10 CJEE C=C(C)CCC(=O)N(CCCC)Cc1c(C)oc(C)c1C 1134178833 WGNHSILKXYVDPT-UHFFFAOYSA-N 291.435 4.690 30 10 CJEE N#CCc1ccc(CSc2cc(Cl)ccc2F)cc1 1166154793 GIOMFGGATABTFW-UHFFFAOYSA-N 291.778 4.837 30 10 CJEE C=CCN(CC/C=C\c1ccccc1)CCc1ccccc1 1190699239 GKRLQMKYJNCSEG-DHDCSXOGSA-N 291.438 4.821 30 10 CJEE C=CCCCCCN(C)C(=O)NCC1CCCCCCC1 1224120722 ATOYPVHQVICPPD-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=CCC[C@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 1258717888 YJCWOVPNHHXPGV-JTQLQIEISA-N 291.744 4.803 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](CCC)CCCC)c1ccccc1 1265717300 AJSDVIKVCMKQSG-FUHWJXTLSA-N 287.447 4.821 30 10 CJEE C=CCC1(NC(=O)CCCCCCCC)CCCC1 1279399571 GDJDWQKWKBUBPF-UHFFFAOYSA-N 265.441 4.742 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)c1ccc2ccccc2c1 1292409951 DJCJNOHEBHKYQF-UHFFFAOYSA-N 281.399 4.795 30 10 CJEE C#CCCCCCCNC1(c2ccccc2Cl)CC1 1307867953 JOOHGHQVLCCPLX-UHFFFAOYSA-N 275.823 4.502 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](c1ccncc1)C1CC1 1308971883 JZXYXMCBJGLCIQ-MAUKXSAKSA-N 272.436 4.647 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CC1 1351375946 XZAHULLJJSWLQH-UHFFFAOYSA-N 297.320 4.699 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CCCC[C@@H](C)CC 1353118108 QMTQJAPFOUDONA-KRWDZBQOSA-N 287.447 4.808 30 10 CJEE CCCc1ccc([C@@H](Nc2ccc(C#N)cn2)C(C)C)cc1 1458160622 HNFPMWATTWSIOO-IBGZPJMESA-N 293.414 4.715 30 10 CJEE C#CCCCCCCNC1(Cc2ccccc2)CCCC1 1459914635 AVURUKSFMZHYDZ-UHFFFAOYSA-N 283.459 4.715 30 10 CJEE C#CCCCCCCNC1(c2ccc(Cl)cc2)CC1 1460276056 GIQNCBASVNDJLZ-UHFFFAOYSA-N 275.823 4.502 30 10 CJEE C=CCC[C@H](NC(=O)C1=CCC(C)(C)CC1)c1ccccc1 1466243732 LENMOIUGGMRODO-SFHVURJKSA-N 297.442 4.947 30 10 CJEE C=CCCCCCCCCN[C@@H]1CC[C@@H]2COCC[C@H]2C1 1474165955 MXBNJAVZIAIDIL-IPMKNSEASA-N 293.495 4.698 30 10 CJEE C=C[C@H](OC(=O)CCc1cc(C)cc(C)c1)c1ccccc1 1532001623 KAOVPQMDRQLAGK-IBGZPJMESA-N 294.394 4.707 30 10 CJEE C#CCCCCCCN(CC)[C@@H](C)c1cccc(OC)c1 1559494632 KOARQTMLBQEENV-KRWDZBQOSA-N 287.447 4.662 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@](C)(CC)C2)c1 1563363749 BLUUNXHJENCZLN-SFHVURJKSA-N 286.419 4.764 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CC2(CCCCC2)C1 1586140294 RXXXECIRSDGZBJ-WBVHZDCISA-N 289.463 4.598 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)Cc1ccccc1C)c1ccccc1 1587283950 YIWZABIWFPVOPV-LPHOPBHVSA-N 294.394 4.644 30 10 CJEE Cc1ccc(C)c(C#Cc2ccc(CC(C)C)cc2)c1 1614827309 UKYODAWQEIMWMI-UHFFFAOYSA-N 262.396 4.902 30 10 CJEE C=CCCCN(C)c1ccccc1Oc1ccccc1 1644825664 LMKDNMYZTHOWRK-UHFFFAOYSA-N 267.372 4.881 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 1652187736 WEPWWAJJCPHDOM-KXBFYZLASA-N 287.447 4.737 30 10 CJEE C#CCN(Cc1cc(Cl)cc(Cl)c1)C1CCCCC1 1653274728 OOGSYNKXOAMLLU-UHFFFAOYSA-N 296.241 4.761 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2cccc(OC(C)(C)C)c2)C1 1658541523 MHHIZCPKMQETJT-DOTOQJQBSA-N 287.447 4.698 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@H]1CCC(C)(C)CO1 1660097869 ZAFZOWKQSJWNSF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C#Cc1ccc(N[C@@H](C)Cc2ccc(F)cc2)c(Cl)c1 1660116926 IFMSDTIAXNMNHH-LBPRGKRZSA-N 287.765 4.504 30 10 CJEE CCCCCCCCCCN1CC[C@@H](P(C)(C)=O)C1 1883858074 KIIQNKYIDRMFGS-MRXNPFEDSA-N 287.428 4.824 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1 1887454081 VVPXVBBZXDVVIJ-XDNAFOTISA-N 263.469 4.621 30 10 CJEE C=C(C(=O)c1cc2ccccc2s1)c1ccccc1 1888690026 UZCDSTYOWGGAFH-UHFFFAOYSA-N 264.349 4.797 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1cc(Cl)ccc1Cl 1888706134 SIURSXZNTSNGIK-INIZCTEOSA-N 292.209 4.967 30 10 CJEE C=CCC(CC=C)SC[C@H](CS)CC1CC1 1899410092 ROOGHWDFTIMXKT-ZDUSSCGKSA-N 256.480 4.587 30 10 CJEE N#CC1(CCC=CBr)CCC2(CC1)CC2 1910054620 LHAGLGSTRYLCLQ-UHFFFAOYSA-N 268.198 4.539 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC2(CCCCC2)C1 1912710439 XMIGWYNFESPLOA-NVXWUHKLSA-N 261.453 4.824 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@H]1CCN 1913754545 YLJNNYWQPPDADQ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](C)NC)cc1 1914951774 ARGMFYNMEFIPOC-QGZVFWFLSA-N 294.442 4.550 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(C)c(F)cc1F 1919482075 AKKXLDUGYNYRSX-INIZCTEOSA-N 269.379 4.808 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(SC)cc2)C1 1921048939 KEADNXNQQROQJP-XYPHTWIQSA-N 289.444 4.552 30 10 CJEE C=C([C@@H](NCCC)C1CCC2(CC1)CC2)[Si](C)(C)C 1922875102 PDNQHGHASBFFSC-MRXNPFEDSA-N 279.544 4.759 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1OCCCC1(C)C 1923782921 VRHHTHPAARKTHI-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C)Nc1ccc(Br)c(Cl)c1F 1929562671 YLOMZWJZDMIBQZ-SSDOTTSWSA-N 292.579 4.618 30 10 CJEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)C1CCCC1 1932017003 HDYRNHCBISTBLA-INIZCTEOSA-N 284.447 4.760 30 10 CJEE CC#CCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 1950224586 IDRBUJFEYMNTQO-NSHDSACASA-N 290.259 4.899 30 10 CJEE CCCCCCCCC[C@H](N)CCC(=O)OC(C)(C)C 1951608254 MDMFBWNHUHHQRQ-HNNXBMFYSA-N 285.472 4.576 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cccc(OCc2ccccc2)c1 1958088816 BXBYOEMSDNHOFE-OXJNMPFZSA-N 295.426 4.868 30 10 CJEE Cc1ccc2c(c1)CC[C@H]2Nc1ccc(C#N)cc1Cl 1968993846 FAZYQSMIZWRROV-MRXNPFEDSA-N 282.774 4.620 30 10 CJEE C=CCCCC[C@H](N)c1c(Cl)cccc1Cl 1984512961 QFEUNWWOKOXWES-LBPRGKRZSA-N 258.192 4.740 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)c1cc(Cl)c(Cl)s1 2002372011 CVUIIJYMDSGUDN-SNVBAGLBSA-N 290.259 4.755 30 10 CJEE CC1(C)CCC[C@@](C=O)(Cc2cscc2Cl)C1 2007844193 HSAUAFODEJBKMN-CQSZACIVSA-N 270.825 4.730 30 10 CJEE C=C(F)CC[C@@H](NCCC)c1ccc(Cl)cc1 2011350645 CWBNNLJNOWZQEX-CQSZACIVSA-N 255.764 4.644 30 10 CJEE C=C[C@H](NCCC)c1ccc(-c2cccs2)s1 2025485719 GTNRTPCIMOOHQA-NSHDSACASA-N 263.431 4.703 30 10 CJEE C=CCCCCCCN(C)Cc1ccsc1C 2026022614 WTOORTAAZLRYDY-UHFFFAOYSA-N 251.439 4.625 30 10 CJEE C=CCCCCCCCCCSC[C@H](C)CN 2026309152 BMPAZYKCQFCXQK-OAHLLOKOSA-N 257.487 4.621 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Cl)c(C)c2)C1 2028858820 SYWHQLUZLPTUFU-BBRMVZONSA-N 261.796 4.911 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CC[C@H]2C[C@H]2CC1 2028968486 SCCPWVDQBWCRFJ-YYIAUSFCSA-N 252.442 4.924 30 10 CJEE C=CCCC[C@H](CC(C)(C)C(F)(F)F)NCCC 2033014794 SKRQTHQGERTHNO-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE C=CCCCCC[C@H](O)C12CCC(CC1)C2(C)C 2033437575 QNOZQQYHJHGQQY-CKDBGZEDSA-N 250.426 4.700 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCCC1(F)F 2034915316 UDWDCSYOIJMPNZ-KBPBESRZSA-N 259.384 4.536 30 10 CJEE Fc1cnccc1SCCCCCCCCCS 2035396936 VVZCMVDWGNHBGP-UHFFFAOYSA-N 287.469 4.973 30 10 CJEE CCCCCCCC[C@H](N)C1CC(C(F)(F)F)C1 2037031795 GHDVGIZGYCYIMW-BPCQOVAHSA-N 265.363 4.653 30 10 CJEE N#C[C@H](C(=O)c1cc(Cl)c(Cl)s1)c1ccccc1 2038533239 KXWPMRGJBOQVTF-VIFPVBQESA-N 296.178 4.545 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1 2040527739 YJZBJQYXALQUNX-CJNGLKHVSA-N 265.828 4.983 30 10 CJEE C=CCC[C@H](C)[C@]1(CNC(C)C)CCC[C@H](C)C1 2040530933 UUCUNWLCPINRNB-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@]1(F)CCNC[C@@H](C)C1 2041558734 FABUOLWXPFLXTD-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE C=C1CC(CNCC(C)C)([C@H](C)CCC(C)C)C1 2041605439 ORLVVNPGAXDOMV-MRXNPFEDSA-N 251.458 4.641 30 10 CJEE CCCCCCCCNCc1ncc(Cl)cc1Cl 2044968216 YCHVDTQGQIPNEZ-UHFFFAOYSA-N 289.250 4.839 30 10 CJEE 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CC(C)C[C@@H](CS)CN1CC[C@@H](C)c2ccccc21 2353835770 OEYVOUJXXIXKAJ-HUUCEWRRSA-N 277.477 4.592 30 10 CJEE C=CCNc1nc(-c2ccc(Cl)cc2Cl)cs1 6594907 JADJWSCLBMGJFP-UHFFFAOYSA-N 285.199 4.715 30 10 CJEE C/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C 12342941 GMYUGGXPOJYIKB-PXNMLYILSA-N 288.174 4.572 30 10 CJEE N#Cc1ccccc1Nc1ccccc1-c1ccccc1 21055497 INSVDUFPAWWTNZ-UHFFFAOYSA-N 270.335 4.969 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 49526164 CKCUWJDHIDINMD-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC[C@@H](Nc1c(C#N)cnc2ccccc12)c1cccs1 49531273 YJBSCENBMBCIAD-CQSZACIVSA-N 293.395 4.731 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)CCc1ccccc1 57696721 YSUZJSRZZCRRJF-CQSZACIVSA-N 285.774 4.589 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(OC)c(F)c1 59134431 BFDPVSNBUZDVJI-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCCN(Cc1ccc(N)cc1)C1CC1 59267408 QBXINPPEWJUJRL-UHFFFAOYSA-N 288.479 4.984 30 10 CJEE CSc1ccccc1Oc1nc2ccccc2cc1C#N 71390638 YSYFSWLAAZZQEM-UHFFFAOYSA-N 292.363 4.621 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2csc3ccccc23)C1 87973424 SHUQOWLGIDOKMT-LRDDRELGSA-N 255.386 4.774 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2)CCc2ccccc2C1 87998256 RCQUIFMSTAJJKK-GOSISDBHSA-N 281.786 4.581 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@H]2CCC[C@H](C)C2)CC1 91903959 BCBRJNWTQGXBKD-YJNFJTPFSA-N 277.452 4.674 30 10 CJEE SCC1(CN2CCCCc3ccccc32)CCCCC1 94577976 SVRYVKRVUDCFBZ-UHFFFAOYSA-N 289.488 4.710 30 10 CJEE SCC1(COc2ccccc2Cl)CCCCCC1 94582824 XMHHCQGUVVLMCJ-UHFFFAOYSA-N 284.852 4.989 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2cc(C)ccc2o1 97419434 YBKZJKTYDQEZKQ-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE CCCCCCCCn1c(COC)nc2ccccc21 102184559 XFPIEZXOCSLHAH-UHFFFAOYSA-N 274.408 4.543 30 10 CJEE CCCCCCC[C@H](Cc1ccccc1Cl)C(=O)O 102949996 UHYCBRWDVAQWMA-CQSZACIVSA-N 282.811 4.944 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cccc(Br)c1C 107511194 WNGBAXSVACMJJM-NWDGAFQWSA-N 279.221 4.911 30 10 CJEE C#CC[C@H](C)c1ccc(OCc2ccccc2)cc1C 107616517 KADJSVGQVLVLBR-HNNXBMFYSA-N 264.368 4.701 30 10 CJEE CC(C)(C)C(=O)/C=C\c1ccc(/C=C/C(=O)C(C)(C)C)cc1 108664628 PVAIXUQSPUNOSS-HEEUSZRZSA-N 298.426 4.943 30 10 CJEE CCCCCCCCCCOc1ccc(C#CCO)cc1 109750468 JSPIZEWMOKHMSL-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE Cc1cccc(Sc2ccc(C#N)c(Cl)c2)c1 110354303 BSRUVLCVRLLLGM-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCCCO[C@H](C)C[C@@H](C)NCCC 113534968 BWDKUMDZIHOTJM-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCN1C[C@H](CCC)NC[C@@H]1CC 114058449 BIAAYEMSBGFCQD-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](Cc1ccc(F)cc1F)NCC 114783127 METCPYFUMRHAKQ-MRXNPFEDSA-N 283.406 4.846 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC(C)(C)CC1 115725873 ODEJKILUUORDAS-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@H]1CCOC1 115761537 RSGJCUYDIKMADC-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CN)c1ccc(C)cc1 115863138 YZTWPUANXJCJAG-RTBURBONSA-N 291.479 4.539 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1c1ccccc1 122243349 RVBBIEUKLOSHRM-QRVBRYPASA-N 288.479 4.763 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)CCO[C@H]1C 125201023 IHMRTXMZGFXMRF-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOc1cc(N)cc(OCCC)c1 126165628 HCUGYWDZIAIOBC-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCC[C@H](NCC)c1c(Cl)cnn1CC 126401420 DCPVSXOQXHMNHI-AWEZNQCLSA-N 285.863 4.568 30 10 CJEE CCCCCCCCCCCCC[C@@H](O)CN(C)C 145251248 DTXLJEIZSAXZDD-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE CC1(C)CC[C@](O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 150009260 FTECODMTRGXYNB-IUPXNIOVSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@H]1C 159711098 ZXLBUPIVSPJMFL-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1F 161104740 BIXNRKAWBUUESE-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](OCC)c1ccccc1 168161589 GDXYSQFBEZBMIK-ROUUACIJSA-N 277.452 4.713 30 10 CJEE Cc1ccc([C@H](NCCCCC#N)c2ccccc2)c(C)c1 180429307 JPLFZGPYCCBNGS-HXUWFJFHSA-N 292.426 4.676 30 10 CJEE C=C([C@](C)(O)CCCCCCCC)[Si](C)(C)C 195888968 FKMWLNRUWCFGPB-OAHLLOKOSA-N 256.506 4.922 30 10 CJEE CCCCCCCCOc1ccc(F)cc1CNCC 222491474 ULPZVZQJTUJBFN-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 226590426 PCDIKLFGBSPSOS-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 226592778 KNFIXJWGLWQEMO-XWIASGKRSA-N 296.197 4.606 30 10 CJEE C=CC[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228392506 JJLNSJSFZDBMBU-CQSZACIVSA-N 296.252 4.683 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228392683 COYVKLCKKRGQDP-OAHLLOKOSA-N 296.252 4.683 30 10 CJEE CCCC[C@H](CC)CNc1cccc(Cl)c1C#N 233048061 SODVPZHXPRQVED-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE C=CCCCCCOc1ccc([C@H](CC)NCC)cc1 233575112 DXUFNXAMVCFFFQ-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(C)cc2Cl)C1 233950759 IMEYGNYCWBHAQX-CZUORRHYSA-N 261.796 4.911 30 10 CJEE C=CCCCCC[C@@H](NC)C(C)(C)c1ccccc1 234444723 CVSJCAFBVFHWOL-QGZVFWFLSA-N 259.437 4.689 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C)c(Cl)c2)cc1 235870839 WHVUPYHZTPMXTR-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=CCCCCCNc1cc(Br)ccc1F 236142889 DRTINUXRPDYVKF-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCCC(F)(F)C1 312128309 KBYAMMHFMYJCJM-LSDHHAIUSA-N 285.422 4.620 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2ccsc2Cl)CC1 312696722 OEHJCCKEPULWAG-LLVKDONJSA-N 283.824 4.545 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnc(OC)s1 380799036 KEJJZWLKYAMTSW-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@H]1CC2CCC1CC2 381789145 AUEIJOPTYOJRFI-CXMPNGEBSA-N 288.822 4.860 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 381852967 YILXBIUUMVYZNM-IRXDYDNUSA-N 295.426 4.881 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(F)c(Cl)c1 387390936 KEFQHIZCBXKKKX-ZDUSSCGKSA-N 283.818 4.602 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)[C@@H]1CCCCC1(C)C 387632129 FRZPHJXTCBJESA-DLBZAZTESA-N 281.484 4.552 30 10 CJEE N#CC(Nc1ccc(Cl)cc1)(C1CCC1)C1CCC1 387989596 KCYFHYLTZWVJHB-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE CCCCCCCCCNCC1(C2CC2)CCC1 391526710 WQLXWRKRSNTWBL-UHFFFAOYSA-N 251.458 4.907 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCC(C(C)(C)C)CC2)cs1 392790047 FABBWOHSVIVVIM-CKDBGZEDSA-N 291.460 4.836 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(CC(C)C)cc1 393793457 GQJLNGCSYYTQTB-MAUKXSAKSA-N 259.437 4.890 30 10 CJEE Cc1ccc(NC[C@@H](C#N)C2CCCCC2)c(Cl)c1 397097944 BUQDXIFDKCWWBR-CQSZACIVSA-N 276.811 4.780 30 10 CJEE N#C[C@@H](CNc1c(F)cccc1Cl)C1CCCCC1 397166284 ZJAKEKDAXMIZBZ-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@@H](C#N)C2CCCCC2)s1 397209868 WEQBRKXYZAQDEI-GOEBONIOSA-N 290.476 4.769 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@@H](C#N)C1CCCC1 397466493 SMWIBGDGFYEFFX-VQIMIIECSA-N 284.447 4.617 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CC[C@@H](C)c2ccccc21 398196642 UEJDNIMOTGJFLS-RVKKMQEKSA-N 257.421 4.959 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)C(C)(C)C 399121074 ONLNUTPOHFUGNB-CABCVRRESA-N 256.478 4.641 30 10 CJEE CN(CCC(C)(C)C)CC1(CS)CCCCCC1 399709590 AXWQHSBDGBEZFB-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CCCCCCCCC[C@@H](N)CCCOCC(F)(F)F 400658733 RRNLUKWAEUCOSO-CQSZACIVSA-N 297.405 4.814 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H](CC)CC(F)(F)F 402557139 JRVQBBSNIZTCPO-UONOGXRCSA-N 279.390 4.793 30 10 CJEE C=C(C)CCC(=O)c1ccccc1NC(=O)OC(C)(C)C 405604601 XAYVFOJEXFSHEY-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C[C@H]1CC[C@H](NCC2CCC(C#N)CC2)c2ccccc21 442875094 VNJRMCAFQIANED-QAVIERHMSA-N 282.431 4.545 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)c(Cl)c1 512281233 JTSSEFTXWITUDT-NSHDSACASA-N 288.753 4.832 30 10 CJEE Cc1cc(OC(F)F)c(C(F)F)c(C(F)(F)F)c1 575665784 UUVNBOGGDPILOI-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cc(C)nn1C 686276876 WJQMLBLIELWRMK-QGZVFWFLSA-N 280.456 4.683 30 10 CJEE C=CCC1(Nc2c([N+](=O)[O-])ccc(Cl)c2C)CCCC1 690710582 MPUTXPNJHRWLKI-UHFFFAOYSA-N 294.782 4.857 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@H]1CCC[C@H]1C 690952367 PHLBWXPNOOFNLF-KURKYZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1sc(C)nc1C 692042310 ZMBMATIAKZJCIT-OAHLLOKOSA-N 283.481 4.804 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2c(F)cccc21 692191510 RBGSIMPIJWNTBG-YPMHNXCESA-N 290.407 4.772 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 692280859 MUBVEABUGLAGSL-UFYUIRFASA-N 261.453 4.536 30 10 CJEE C[C@@H](CNc1ccc(C#N)c2ccccc12)C1CCC1 692849755 CEKQGJUZOIBOEQ-ZDUSSCGKSA-N 264.372 4.560 30 10 CJEE CCCCCCCOCCC[C@H](NC)c1ccccc1 694999966 GCSFFMJXGGGSCA-SFHVURJKSA-N 277.452 4.714 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCCC4(CC4)C3)C[C@@H](C1)C2 697315028 IWIGLVJQBVZTKF-HRBLRVMOSA-N 273.464 4.681 30 10 CJEE CSc1cccc(N(C)[C@H]2CCC[C@@H](C)CC2)c1C#N 697461010 CBQLCFVCMQBXAG-KGLIPLIRSA-N 288.460 4.685 30 10 CJEE C=CC(C)(C)CCNc1nc(C)nc2sc(C)c(C)c12 701892472 YEFGPLHIOMXNTB-UHFFFAOYSA-N 289.448 4.631 30 10 CJEE N#Cc1ccc(Oc2cc(F)cc(Cl)c2)c(Cl)c1 703731601 RYLUCVIBAYZTSJ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](N)C(F)(F)F 705635894 DXJUFJMZTSZKBY-ZIAGYGMSSA-N 297.405 4.548 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@H]1CCCC(C)(C)C1 709239320 QRWPHVZFGMXNRE-AWEZNQCLSA-N 276.811 4.617 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2c(C)cccc2Cl)C1 710736591 FKSCSFJBIAOHMY-FRFSOERESA-N 293.838 4.556 30 10 CJEE 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CBSDPSLIFLBXCL-HNNXBMFYSA-N 271.514 4.880 30 10 CJEE C#CCCCCC[C@@H](C[C@H]1CCCCC12CC2)NC 2264834533 HGEWFZPVTZYPSR-SJORKVTESA-N 261.453 4.519 30 10 CJEE CC[C@H]1CCCCC[C@@]1(O)CC=CC#CC(C)(C)C 2268735553 NTAJKMCSRBJLSR-FUHWJXTLSA-N 262.437 4.704 30 10 CJEE CCCC#CC[C@H](NCCC)c1csc(Cl)c1OC 2268920726 CNLVBRIDBOJJEY-ZDUSSCGKSA-N 299.867 4.644 30 10 CJEE C=CCCCCCCCSc1ccc([C@H](C)O)cn1 2271582862 RXSVJHAZWNTPBU-AWEZNQCLSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@H]1C2 2271746871 GUMQMQBFWBZNRZ-BQFCYCMXSA-N 261.453 4.681 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CCC(F)(F)CC1 2271781801 RTOFQVLLRZJQOH-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1 2271792836 XYYGBNKITIKOQM-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE CC[C@](O)(C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2273901926 NZKRZEYYNAXNQQ-INIZCTEOSA-N 297.225 4.785 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2274128781 LVFFCJGLXHXFIM-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(C)CC[C@]1(C)N 2274184662 FBVAKCZAEULXRX-IRXDYDNUSA-N 267.457 4.604 30 10 CJEE C=CC[C@@](C)(CCCCCCCC)OCCC(=O)O 2274793470 ASTAXZZXDPKOLN-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@@H](CC(C)(C)CC)OCCCN 2276895562 BJCNKZUPHMCCNY-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1(C)CCC1 2277359941 KXSNRYVQQJWPLJ-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1CCO[C@@H]1C 2278167811 XNBVLAJDCDPBFJ-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1COCC1(C)C 2278238371 WOXINOARBPKWTN-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1nc(C(C)(F)F)cs1 2278605582 OMJYKOHIPAARQP-JQWIXIFHSA-N 288.407 4.508 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)c(OC)cc1OC 2279086432 FDOLWGUQDSBBHH-AWEZNQCLSA-N 299.842 4.718 30 10 CJEE CCCCCCCCC[C@H](O)c1ncn2ccccc12 2280545075 HDHRBYYVIGIQBI-INIZCTEOSA-N 274.408 4.508 30 10 CJEE C=C1CC([C@@H](Cc2ccc(CCC)cc2)NCCC)C1 2283528021 IBZNXJGROBLIOA-LJQANCHMSA-N 271.448 4.516 30 10 CJEE CCCCCCC[C@@]1(N)CCCc2c(OC)cccc21 2283731650 IMGFZSYLDWCCML-GOSISDBHSA-N 275.436 4.546 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCCCC12CCCC2 2284070931 MJVIKYKWHUQIEF-LJQANCHMSA-N 274.448 4.848 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)(CC=CC#CC(C)(C)C)CC1 2284075852 IBEWLMJFWNEZJL-IEBWSBKVSA-N 276.464 4.950 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@@H]1CCCC(C)(C)CC1 2284138717 DMBMFDCXIDCBQA-QGZVFWFLSA-N 275.480 4.883 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)[C@H](CC)CCC 2287680841 IOJFGAPFQIQAOY-SQNIBIBYSA-N 283.500 4.678 30 10 CJEE Cc1ccc(CC2(C=O)CCC(C)(C)CC2)c(F)c1F 2289651488 RZCIETXOOVMCRB-UHFFFAOYSA-N 280.358 4.601 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@H]1CCCC[C@@H]1CC 2289839379 CHBCGCLESDNEJY-GBESFXJTSA-N 275.480 4.765 30 10 CJEE CCC[C@@H](C)C(=O)[C@@H](C#N)c1cccc(C(C)(C)C)c1 2290189727 FDBNBSYEGZBPBC-CJNGLKHVSA-N 271.404 4.597 30 10 CJEE C=CC[C@H]1CCCCN1Cc1cccc(C(C)(C)C)c1 2290196626 XROGRDOYPLWVIE-SFHVURJKSA-N 271.448 4.915 30 10 CJEE CCCCCCCCC[C@H](CC1CCC1)OCC(=O)O 2291707846 OZABBGZDTZEADL-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@](C)(CCC(F)(F)F)OCCCN 2292571368 LYBCHYXEHVEMRQ-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE C=CCCCCC[C@](C)(CC1CCC1)OCCC(=O)O 2292701060 JDYDKOJDPLYOIV-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1ccccc1C 2293073594 PIDZNMFRUUNDCB-GOSISDBHSA-N 277.452 4.762 30 10 CJEE CCCCCCCC[C@H](CC1CC(C)(F)C1)OCCN 2293623883 BOLOYYLASXTWSH-AQFXKWCLSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCC[C@@H](C2CC2)C1 2293665941 ASGPVNSEDCOMMA-QZTJIDSGSA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@@](C)(OCCN)[C@@H]1CCC1(C)C 2293992058 PTVGERONEQGNQN-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]2CC[C@H]1C2 2294355261 IXWLUVRXNFMGCX-WNRNVDISSA-N 281.484 4.517 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)C1 2295233425 AECNOZFBVSFHQO-MAUKXSAKSA-N 290.834 4.659 30 10 CJEE C#CCCCC[C@@H](NCCC)c1nc2ccccc2s1 2295382944 MFQYGIMRXGKNLB-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@H](CC(F)(F)F)O1 2295535374 CFMKIEJHSFLSIZ-KBPBESRZSA-N 295.389 4.784 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CC1=CCCC1 2295597615 XQPOYMWSENKMBV-GOSISDBHSA-N 280.452 4.948 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(C)cc1Br 2301054281 AEAHDVSOXAISQL-OAHLLOKOSA-N 294.236 4.526 30 10 CJEE C=CCCC[C@@H](O)c1cc(C2CC2)ccc1Cl 2301336808 STUJTJGFZAHLGU-OAHLLOKOSA-N 250.769 4.607 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C)c(Br)c(C)c1 2304053585 WUWOTMBZQONWIE-UHFFFAOYSA-N 295.220 4.851 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Br)ccc1C 2304063543 VMAPPJVKOOTCEQ-LSDHHAIUSA-N 296.252 4.750 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(C)s1 2313528915 IXEYBWTWYCYQTB-CQSZACIVSA-N 281.490 4.571 30 10 CJEE CC1CCC(CSc2nccc(C#N)c2Cl)CC1 2313835226 CEQJFNZDCCBEAL-UHFFFAOYSA-N 280.824 4.525 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccsc1C 2316745642 ZJPAVLNQRWMRHK-INIZCTEOSA-N 263.450 4.866 30 10 CJEE CCCCCCCCN(C)C1C[C@@H](C)S[C@H](C)C1 2317707709 LNEIAXPOABHITM-HUUCEWRRSA-N 271.514 4.951 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CC(C)(C)[C@@H]1C 2318185718 LOPPVEPRWGJXJD-ZIAGYGMSSA-N 272.498 4.954 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@H]1CC[C@H]2CC[C@H]1C2 2327107849 ZUBLGNDDWHLQOX-ORIJERBGSA-N 270.482 4.564 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H](CC1CC1)C1CC1 2327115946 PIGTVVYTWNPKBF-GOEBONIOSA-N 270.482 4.564 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329185626 CGOFFHFGEIYOML-KBXIAJHMSA-N 273.411 4.746 30 10 CJEE CCSc1ccc(C(=NOCC(C)C)C2CC2)cc1 2330390699 VKBRGRRGVFXSAO-UHFFFAOYSA-N 277.433 4.585 30 10 CJEE C=CCN(C(=O)C=Cc1ccc(C)cc1)[C@@H]1CCCC[C@H]1C 2330844869 JWJXOILUDAQVBT-IEBWSBKVSA-N 297.442 4.602 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2333171008 UOTXWZXGDOGBKT-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CC[C@H]1C(F)(F)F 2333454066 UMIKLZYWNAMCKE-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE C=CCC(CC=C)Oc1ccsc1CN[C@H](C)CC 2335110189 YXDMJHSGKRHILU-CYBMUJFWSA-N 279.449 4.536 30 10 CJEE CCCCCCCCCC(=O)[C@H]1COC2(C)CC1C2 2337691790 LIZVODORSXSZLH-CKDBGZEDSA-N 266.425 4.511 30 10 CJEE CC(=CC[C@@]1(C=O)COC(C)(C)C1)CCCC(C)C 2338453271 PLAPALWCBMGDKP-QGZVFWFLSA-N 266.425 4.533 30 10 CJEE C#CCCN(CC=C(C)CCCC(C)C)C(C)(C)C 2338455438 BNSYNVXURBDROA-UHFFFAOYSA-N 263.469 4.883 30 10 CJEE C=CC[C@@H](CNC1CC1)Cc1ccc(Cl)c(Cl)c1C 2338705672 PTBMSNMNSPYGBG-GFCCVEGCSA-N 298.257 4.789 30 10 CJEE C=CCCC(C)(C)CNc1ccc(N)c(C(F)F)c1 2339180002 VASIUTABUSLYNN-UHFFFAOYSA-N 268.351 4.611 30 10 CJEE CCCCCCCN(C)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339367662 ARYPDZJIKMUSQL-KURKYZTESA-N 263.469 4.881 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCC12CCCCC2 2339965959 CKNKJJXIQZBLSU-QGZVFWFLSA-N 253.389 4.583 30 10 CJEE CCCCCCCCCC[C@@H](N)C#C[C@@H]1CC1(F)F 2341042242 DSBZIJPBSGIPRR-HUUCEWRRSA-N 271.395 4.503 30 10 CJEE C#C[C@H](CC(C)C)NCCCc1cc(Cl)cc(Cl)c1 2341140787 JALDGSBOSDFDCE-MRXNPFEDSA-N 298.257 4.564 30 10 CJEE C=C1CC(NCCC(C(C)C)C(C)C)(C(F)(F)F)C1 2342788502 BESWIIJZPYHQBM-UHFFFAOYSA-N 277.374 4.545 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1cc(Cl)ccc1C#N 2343114958 AGIAVCJWXYDRHL-OCCSQVGLSA-N 276.811 4.696 30 10 CJEE CCCCCCCOC[C@@](C)(CC)CN[C@H](C)CC 2343149651 VPRHFIWDMNNFFP-SJORKVTESA-N 271.489 4.778 30 10 CJEE C=CC[C@H](C)N[C@H](CC)c1ccc(C(F)(F)F)cc1 2343785073 FRGGHZKUUXSPBE-SMDDNHRTSA-N 271.326 4.711 30 10 CJEE C=CC[C@@H](C)[C@H](CC1(C)CC2(CCC2)C1)NCCC 2344336788 LQVXRMOQYRGUSE-CVEARBPZSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C(F)F)c1F 2344341891 FWLJERTZJIBLAY-IINYFYTJSA-N 271.326 4.626 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC(C)(C)C(F)(F)F)NCC 2344343761 PRDYYQNVTCNWSU-OCCSQVGLSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC#CCCCC)NCCC 2344344953 UQZGDYGFGFYVAI-MSOLQXFVSA-N 263.469 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCC(F)(F)C1)NCC 2344374647 JNIBJKCIZOGICH-KFWWJZLASA-N 273.411 4.782 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)C1CCCCCCC1 2345008303 NBIYMBNYTSANTQ-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE C[C@H](CCS)CCOCC1CCC(C(F)(F)F)CC1 2353166806 LETBNSJIQRXPLD-HIFPTAJRSA-N 298.414 4.718 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)C[C@@]12CCC[C@@H]1C2 2356025918 LKSSUYRBQSJDBY-QYZOEREBSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCC[C@@H](OCC(=O)O)[C@@H]1C[C@H]1C 2359928339 LRVDZMWWYIHVFK-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccc(F)c(C)c1 2360336357 JODAHNKVSFFYLE-QGZVFWFLSA-N 293.451 4.649 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)c1c(F)ccc(C)c1Cl 2360714681 QJQDNXTWXBVNPH-AWEZNQCLSA-N 295.829 4.878 30 10 CJEE O=C(/C=C\c1ccc(Cl)s1)/C=C/c1ccccc1 33319164 VVMIXXIFGRLEMY-MUIOLIGRSA-N 274.772 4.697 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cccc(Cl)c2Cl)c1 37936649 OCMSHFMYVDGTGL-CQSZACIVSA-N 291.181 4.979 30 10 CJEE COc1cccc(C[C@@H](C#N)c2cccc3ccccc23)c1 57758373 FSTIXFUMMYPFCQ-KRWDZBQOSA-N 287.362 4.698 30 10 CJEE CCCCCCCNc1ccc(Br)cc1F 59088794 HTZHFIVSVPREQJ-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE CCCCCCCCOc1cc(CNCC)ccc1OC 59178885 FREHAAJYJWQBMF-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE Cc1ccc(Oc2nc3ccccc3cc2C#N)c(C)c1 71390546 YNRLJWOFEFNBCN-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCCOc1cccc(-c2cc(C#N)c(C(F)(F)F)o2)c1 77086220 HCFYXZSBCKBFNM-UHFFFAOYSA-N 295.260 4.626 30 10 CJEE N#Cc1cccc(Nc2cc(Cl)c(Cl)cc2Cl)n1 81616022 MATVTMKKFPERSS-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE Cc1nc(-c2ccccc2OCC(C)C)ccc1CS 82481578 PTGHBTBBVWOJRO-UHFFFAOYSA-N 287.428 4.522 30 10 CJEE Cc1cc(Cl)c(C(=O)/C=C/c2ccc(F)cc2)cc1C 83204320 CASWCARGJJHWFZ-VMPITWQZSA-N 288.749 4.992 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H](OCC)C1(C)C 85385443 FXERLMYYVBDEOE-CVEARBPZSA-N 291.460 4.580 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc(Cl)c2Cl)C1 87322424 LRCYFUZIPKNFGX-UHFFFAOYSA-N 269.171 4.766 30 10 CJEE SCC1(COc2cccc(Cl)c2Cl)CCCC1 94584106 UTOKFTWENRCFKT-UHFFFAOYSA-N 291.243 4.862 30 10 CJEE N#C[C@]1(NC2CCCCC2)CCCC[C@H]1c1ccccc1 97898547 XMWURISEHGPAQL-RBUKOAKNSA-N 282.431 4.529 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(C)c(F)c1 103932361 ZTQMEWBIFATJSH-MRXNPFEDSA-N 251.389 4.885 30 10 CJEE CCCCCCCCOCCNCC1CCCCC1 104016628 JCPOPVYPUSLKAG-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(C)oc1C 109941700 VGFADLAHKHIWPZ-CQSZACIVSA-N 251.414 4.908 30 10 CJEE Cc1cccc(CC[C@@H](C)Nc2cc(C#N)ccc2C)c1 109945107 BBPGAIZCCPNZMC-MRXNPFEDSA-N 278.399 4.608 30 10 CJEE C[C@@H]1C[C@H](Oc2cc(Cl)ccc2C#N)CC(C)(C)C1 110261828 DCUFIOYSLTUCJK-RISCZKNCSA-N 277.795 4.805 30 10 CJEE CCCCCCC[C@H](Nc1cccc(Cl)c1)C(=O)OC 110319165 MCCJROIHENEPHV-HNNXBMFYSA-N 297.826 4.654 30 10 CJEE CCCCCCCCCCCCNC[C@@](C)(O)CC 114851364 DUJWHDGNBWPJNQ-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CCCCCCCCCCN[C@@H](C)CCC[C@@H](C)C(=O)O 115733152 SLIVEGOEMHNUJU-SJORKVTESA-N 299.499 4.996 30 10 CJEE CCCCCCCC[C@H](O)Cc1nc2ccccc2s1 117691506 KSCBRDFKFVIQNX-AWEZNQCLSA-N 291.460 4.950 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCc2ccccc21 126259542 NIJHLGKDESDJRC-OALUTQOASA-N 288.479 4.689 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)C1CCOCC1 126683213 DORYLGHQKDASTJ-GOSISDBHSA-N 298.515 4.556 30 10 CJEE Cc1cc(C)c(CNc2cc(C#N)ccc2Cl)c(C)c1 127719952 ONUXVUKAXRXKGJ-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE C#CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 129867584 TWJVCMXTZNRSHN-BDAKNGLRSA-N 290.621 4.709 30 10 CJEE C[C@H]1CC(C)(C)CC[C@]1(O)C1(C#N)CCC(C)(C)CC1 132208728 JUEAUEQEUYODGT-KBXCAEBGSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](NCCC)c1occc1C 133294218 NAFLZIVBTXDHID-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE CSc1cccc(Sc2cc3ccccc3[nH]2)c1C#N 136998850 FGDOCZBTQSRDNV-UHFFFAOYSA-N 296.420 4.913 30 10 CJEE CCCCCCCCCC[C@@H](COC(C)(C)C)NC 143416406 XTVNDTBYQLBMPI-INIZCTEOSA-N 271.489 4.920 30 10 CJEE c1ccc(C/N=C2/CCCC[C@H]2c2ccccc2)cc1 146604398 DMFNDZYQOHPIOI-ONNQFXDFSA-N 263.384 4.985 30 10 CJEE CCCCCCCCCC1(C(=O)O)C[C@@H]2C[C@@H]2C1 157001017 PFZDNZHAIVEXCC-MZBDJJRSSA-N 252.398 4.628 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 158336837 YXQADHZTGPSZKE-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE CCCCCCCCNc1ccc(N)c(OCCC)c1 159132612 PYZFGYQOGFITKN-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE CCCCCCCC[C@H](O)[C@H](OCC)C(C)(C)C 159780139 GZUYTVWCTHZQSV-GJZGRUSLSA-N 258.446 4.549 30 10 CJEE CCCCCCCC[C@H](O)C1(OC)CCC(C)CC1 162364651 MMIDDIFCYBMXQF-CGZBRXJRSA-N 270.457 4.693 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 162615698 WBUAMKZIJALDEM-IUCAKERBSA-N 276.182 4.748 30 10 CJEE CCCCCCCC(=O)c1ccc(Cl)c(OC)c1 167955267 DLJORKILVGMMFY-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC1CC1 169074937 RWFVNBFQPYKHQF-ZACQAIPSSA-N 275.480 4.621 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc2c(c1)CCCC2 203447852 DTUDJHDUVKHHDL-UHFFFAOYSA-N 263.340 4.538 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)c(C#N)c1 218180846 VSHNQPSFIODOIN-PVUWLOKVSA-N 274.383 4.570 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2cccs2)C(C)C)C1 218662111 JSHXFKZUUSGKET-INMHGKMJSA-N 290.476 4.677 30 10 CJEE C=CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 219527697 SXTPRVLWPFGDNC-YESZJQIVSA-N 263.469 4.927 30 10 CJEE Cc1cc(C)c(C)c(Oc2c(C)cccc2C#N)c1 221140493 YRQRLAQFQFXSJS-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCCCCCCCCCC(=O)c1csc([C@H](C)N)n1 226574272 ZRMYQGBQJDCNTF-ZDUSSCGKSA-N 296.480 4.876 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1CCCC1(C)C 226908531 XIMIIOCVZMVQPS-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccccc2C#N)C1 230765487 CWHOKPBZKQCANG-ZBFHGGJFSA-N 256.393 4.575 30 10 CJEE Fc1cc(C(F)(F)F)ccc1NCCCC(F)(F)F 231661604 CMJAZTHQAUCXTF-UHFFFAOYSA-N 289.194 4.599 30 10 CJEE C=CCCCCCNc1ccc(Br)cc1 232475016 VPXSAKSZQPCTJH-UHFFFAOYSA-N 268.198 4.607 30 10 CJEE CC(C)[C@@H](C)Sc1ccc(C#N)c2ccccc12 232815899 ILDLSNHJDRBLMY-GFCCVEGCSA-N 255.386 4.848 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccccc1OC(F)F 234461861 REBMBQNJQAOGIV-CQSZACIVSA-N 283.362 4.685 30 10 CJEE C=CCCCCC[C@@H](NN)c1c(Cl)cccc1Cl 236207619 COYUQERVGCEVFP-CYBMUJFWSA-N 287.234 4.634 30 10 CJEE Cc1ccccc1N[C@]1(C#N)C[C@H](C)CC[C@H]1C(C)C 251001220 XFYHICYJAXXMJE-HFTRVMKXSA-N 270.420 4.762 30 10 CJEE C=C(CC)C[C@H](NCC)[C@H]1CCCC[C@H]1C(F)(F)F 252992220 FJYPAAAIKBWETN-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C[C@H](CC=O)c1ccc2sc(C(F)(F)F)cc2c1 258593012 VEMLYKXWMRIESE-MRVPVSSYSA-N 272.291 4.613 30 10 CJEE CCCCCCCC[C@H](N)Cc1csc(C)c1 310293251 OENLSQIKUHOHAF-HNNXBMFYSA-N 253.455 4.677 30 10 CJEE CC(C)(C)CCCOC[C@H](CS)c1ccccc1 310998067 USAYRCBHFNJAEI-OAHLLOKOSA-N 266.450 4.543 30 10 CJEE CCCCCCC[C@@]1(C)CCC[C@H](CNCCC)O1 311582970 OXZOKUJZTYYYQD-SJORKVTESA-N 269.473 4.674 30 10 CJEE Cc1ccccc1N[C@H](C#N)[C@@H](C)C1CCCCC1 311681246 IUPJLJHBTCUPBY-WMLDXEAASA-N 256.393 4.516 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 312512152 ZUSVASFOACVFRA-QMTHXVAHSA-N 285.284 4.816 30 10 CJEE C=C([C@@H](NCC)c1ccc2ccccc2c1)C(F)(F)F 312823689 LMAUHOWEBJDIPY-OAHLLOKOSA-N 279.305 4.609 30 10 CJEE C=C[C@@](C)(CNCCC)C[C@H](C)C1CCCCC1 380902123 OHWAKMOMQJPPPU-DOTOQJQBSA-N 251.458 4.785 30 10 CJEE N#CCCCCCNc1c(Cl)cccc1C(F)(F)F 385162305 AGBFRPRDXCTLRM-UHFFFAOYSA-N 290.716 4.855 30 10 CJEE C=CC[C@@H](CNCC(C)C)Cc1ccc(C(C)C)cc1 386990744 OOVGWDNPZUWYHS-GOSISDBHSA-N 273.464 4.790 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H](CC)CC(F)(F)F 402657551 VOOKTZKFQPOXPG-STQMWFEESA-N 265.363 4.690 30 10 CJEE CSc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1 512611020 GZJQZSQUQUQILK-NSHDSACASA-N 286.375 4.592 30 10 CJEE CCCCCCCCCCNc1ccc([C@H](C)O)cn1 686073853 ZMWOJOLRVKUIGI-HNNXBMFYSA-N 278.440 4.688 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/NC2(CCCC2)CCS1 687319298 GJJPQASVVRYDIU-AWEZNQCLSA-N 282.497 4.597 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H](C)SC1 689495175 RZQNOWLGVNQUDS-QWHCGFSZSA-N 279.474 4.661 30 10 CJEE Cc1cc(N[C@@H]2CCCCC[C@@H]2C#N)cc(C)c1Cl 690285234 AWOVQFXSRYFSFX-UKRRQHHQSA-N 276.811 4.841 30 10 CJEE C[C@@H]1CCC[C@H]1N(C)CCCCCCCCCS 690968260 JHJDWRSGHQONCH-HZPDHXFCSA-N 271.514 4.767 30 10 CJEE CCCCCCC[C@@H](C)NCCCc1ncccc1C 693676991 UCZJKBKTZUIKPZ-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1=CC[C@@H](N)C1 696992730 GMKPRDUXNQVHNJ-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE CCCCCCC[C@H](NCC)c1csc(COC)c1 699873685 YBLJKOIHSOKLLL-INIZCTEOSA-N 283.481 4.906 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCCN1C 700245345 QIAFIIFJCIWMPV-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCCCCCC[C@@H](NCC)c1csc(CC)n1 702456632 QNQZCTGITAKNCF-CYBMUJFWSA-N 268.470 4.717 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CC12CCOCC2 709649184 CIQRQJHJGJZJIH-OAHLLOKOSA-N 266.425 4.513 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCCc2ccccc21 710476455 POUYGALJBPPVSP-IRXDYDNUSA-N 277.839 4.617 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CCCCCCC1 710546394 CXVUFZRDLDPJOM-OAHLLOKOSA-N 257.849 4.858 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)CC1 718627334 QCXJWXWJKUHYNL-CZUORRHYSA-N 274.383 4.858 30 10 CJEE CC1(C)CCCCC[C@@H]1NCc1ccc(C#N)cc1Cl 718951511 XWGQGFYOICBXSM-INIZCTEOSA-N 290.838 4.660 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H](C)c2ccccc2)CC1 724575706 PYBDWQLDFRALPG-YJBOKZPZSA-N 257.421 4.515 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(F)ccc2C)CC1 724583839 YJCQIBQSEHCZPV-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE C=C1CCC(CNCCc2ccc(Cl)c(Cl)c2)CC1 724590488 WNZQTQXYASFCFB-UHFFFAOYSA-N 298.257 4.872 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCc3sccc32)CC1 724608790 ZDCNKBHQOSBNPZ-RDJZCZTQSA-N 289.488 4.893 30 10 CJEE ON=C1CCCCc2sc(C3CCCCC3)cc21 725419983 PXCWSZQYEWXJFI-UHFFFAOYSA-N 263.406 4.701 30 10 CJEE C=CCCSCCN[C@@H]1CC[C@@H](C)c2ccccc21 829204616 ZSGCDSRKJLDFSA-RHSMWYFYSA-N 275.461 4.524 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)Cc1c(CC)oc2ccccc12 1124513766 GAIWEEJFGAAGDG-CQSZACIVSA-N 299.414 4.556 30 10 CJEE C=CCCN(CC(C)C)[C@H](C)c1ccccc1Cl 1170243221 CIZCRIBNWDVNJQ-CQSZACIVSA-N 265.828 4.935 30 10 CJEE C=CCN(Cc1cscc1C(F)(F)F)c1ccccc1 1180971002 YTDWGHIBQAHSDI-UHFFFAOYSA-N 297.345 4.960 30 10 CJEE C=CCCCCCN1CC[C@@H](CCOC)c2ccccc21 1198686921 YKLXTFYYHDEVOX-KRWDZBQOSA-N 287.447 4.763 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc([C@@H](C)C(=O)OC)c1 1206270157 KAWKRODQGWWDAL-HUUCEWRRSA-N 289.419 4.510 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@H](CC)C1CCCCC1 1225825980 FQMMSAXXXYKFOD-MRXNPFEDSA-N 294.483 4.637 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 1258717889 YJCWOVPNHHXPGV-SNVBAGLBSA-N 291.744 4.803 30 10 CJEE C=CCC[C@H](C)N[C@H](c1ccc(Cl)cc1)C1CC1 1258719946 MWMYGIRYUYWGKU-LRDDRELGSA-N 263.812 4.735 30 10 CJEE C=CCN(C(=O)C=C1CCC(C(C)(C)C)CC1)C(C)(C)C 1279620288 HXTNJKMCJJLSLB-UHFFFAOYSA-N 291.479 4.962 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2ccccc2C)c1 1289568097 LMARYXNMDBDRBL-INIZCTEOSA-N 293.410 4.845 30 10 CJEE C=CCCCCCN(C)Cc1ccnc(Cl)c1Cl 1308621073 YPRFFHDHGBGZNR-UHFFFAOYSA-N 287.234 4.567 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCCc2nc(C)sc21 1308636303 YFLWIFWTVTZWCL-ZFWWWQNUSA-N 292.492 4.944 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCC[C@@H]2CCCC)CCCC1 1311866302 VMRYTWGHVFOLCI-JKSUJKDBSA-N 292.467 4.533 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC(C)(C)C)c1ccccc1 1459224485 KYPZSAVPSBCVME-OAHLLOKOSA-N 273.420 4.668 30 10 CJEE C=CCCC[C@H](NC(=O)NC(CC)CC)c1ccccc1 1471199787 JBYSTBUMGPBFGP-KRWDZBQOSA-N 288.435 4.572 30 10 CJEE C=CC[C@@H](C)N1CCC(Cc2ccc(Cl)cc2)CC1 1473725612 RWDZNXSJQJBKJU-CQSZACIVSA-N 277.839 4.559 30 10 CJEE C=CCCC1(CNCc2ccc3ncccc3c2)CCCC1 1474207814 GPPZTZAXAKCKKI-UHFFFAOYSA-N 294.442 4.851 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1525483898 SJKHDTYTQCYGOV-KZNAEPCWSA-N 291.479 4.846 30 10 CJEE C=CCC1(C(=O)NCC2(C)CCCCCC2)CCCCC1 1527061094 FIOKQWBQDHCCPF-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCCCCCCCNC(=O)[C@H]1CCC=CCCC1 1527549432 IQBLUHPDDTUZRY-KRWDZBQOSA-N 277.452 4.766 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCCC)[C@H](C)c1ccccc1 1532402576 CUBVQDJUSXYQSU-SJORKVTESA-N 287.447 4.979 30 10 CJEE C=C1CCC(C(=O)O[C@@H](CC)c2ccc(C)cc2)CC1 1537844274 IOVZOYJOXLLRMG-KRWDZBQOSA-N 272.388 4.736 30 10 CJEE C=CCN(Cc1ccc2ncccc2c1)CC1CCCCC1 1559537882 IUSFDYCPJRDAQK-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE Cc1ccc(C#Cc2ccccc2C(F)(F)F)cc1C 1614755478 ZIOMZQZZHPEJJU-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C=CCCCCCCCNc1ncc(Cl)c(C)c1C#N 1639994003 GJDMQCFVORYYJP-UHFFFAOYSA-N 291.826 4.854 30 10 CJEE C=CCCC[C@H](C)Nc1nc(C2CCCCC2)ns1 1642498856 XJBJDSYDCXUFSL-LBPRGKRZSA-N 279.453 4.743 30 10 CJEE CC(C)CC[C@H]1CC[C@@H](NCC(C)(C)CCC#N)C1 1651165420 IEMXUMDILRDGDJ-JKSUJKDBSA-N 264.457 4.511 30 10 CJEE C=CCC[C@@H](Nc1ncnc2ccsc12)c1ccccc1 1651664987 WYVQRMVNWWDYOD-CQSZACIVSA-N 295.411 4.811 30 10 CJEE C[C@@H](CCC#N)CN(c1ccsc1)C1CCCCC1 1652339621 APIANGONJIEMBS-AWEZNQCLSA-N 276.449 4.827 30 10 CJEE C#CCCCCCCNc1ccc(CC)c(Cl)c1 1652422853 BROLGOBUOGGNIF-UHFFFAOYSA-N 263.812 4.898 30 10 CJEE C=C(C)COc1c(Cl)ccc(Cl)c1Br 1652793363 LOVSGEKWNKQYTB-UHFFFAOYSA-N 295.991 4.711 30 10 CJEE C=CCCCCN1C[C@H](C)CC[C@@H]1c1ccccc1OC 1654416910 BDMBTOYXMUETJX-SJLPKXTDSA-N 287.447 4.825 30 10 CJEE C#CCCCCCCN1C[C@H](C)Oc2ccc(Cl)cc21 1657427807 KJNOJYYZBUUIMJ-AWEZNQCLSA-N 291.822 4.511 30 10 CJEE C=CCCCCN[C@H](c1ccc(F)cc1)C(C)(C)C 1657589240 BZDLERXPKXEGIO-MRXNPFEDSA-N 263.400 4.859 30 10 CJEE C=CCCCCCCNCc1cccc(-c2ccccn2)c1 1662422620 LPRNCRRXJYNMFR-UHFFFAOYSA-N 294.442 4.975 30 10 CJEE C#CCCCCCCNc1cc(F)c(OC(C)C)c(F)c1 1664269607 FPZXBPWHLYHISQ-UHFFFAOYSA-N 295.373 4.748 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 1665184270 ODTVXBDPJMEGFZ-GDBMZVCRSA-N 286.419 4.810 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 1673600816 TZQOIMJJPAUUJW-ZDUSSCGKSA-N 284.403 4.515 30 10 CJEE N#CCc1cnc(-c2c(Cl)cccc2Cl)c(Cl)c1 1848375171 QETXVAQVKWEQGF-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE Cc1cc(Cl)ccc1Nc1ncc2c(c1C#N)CCCC2 1859831024 WFVGLSIRDMJQPJ-UHFFFAOYSA-N 297.789 4.538 30 10 CJEE CC[C@H]1CC[C@H](CC2(C=O)CCC(F)(F)CC2)CC1 1878239239 HMRVEYNRZALSOV-HDJSIYSDSA-N 272.379 4.988 30 10 CJEE CCCCC[C@H](CC)N(C)CC#CC1CCCCC1 1879294767 LVZMUSNDYBNZPY-SFHVURJKSA-N 263.469 4.861 30 10 CJEE CC(C)=C(C)C(=O)c1cscc1OCc1ccccc1 1883191913 HIMMVMOPZWHHPC-UHFFFAOYSA-N 286.396 4.866 30 10 CJEE CCCCCCCCCN(C)Cc1ncc(CC)s1 1883428471 JUQCPALNPQGRHZ-UHFFFAOYSA-N 282.497 4.888 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1 1885981460 YREOYWPIQKJIDI-FZKCQIBNSA-N 260.421 4.764 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 1886859153 PBGYTQGJYYLFMT-HNAYVOBHSA-N 282.383 4.511 30 10 CJEE CCCCCCCN(C)CCCCCOC(C)(C)C 1887042091 QORLTHZMHBPPNN-UHFFFAOYSA-N 271.489 4.874 30 10 CJEE CCCCCCCCC[S@](=N)(=O)c1cccc(OC)c1 1917877838 XVZMVPBUDILICQ-FQEVSTJZSA-N 297.464 4.851 30 10 CJEE CCCCCCC[C@](C)(OCCCC(F)(F)F)C(=O)O 1919000907 QFILARLRRDSINP-ZDUSSCGKSA-N 298.345 4.549 30 10 CJEE 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C=CCC(CC=C)[C@@H](NC)c1cc(C)cc(C)c1C 2338738056 JNEYEGPNFYXIML-GOSISDBHSA-N 257.421 4.641 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1cc(C)c(C)o1 2338747021 MIFLXTSFSAVZGP-KRWDZBQOSA-N 261.409 4.706 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC(F)(F)C1 2339074273 SXWGYEZUXBPLLV-BYNSBNAKSA-N 267.363 4.922 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CCC(C(F)(F)F)CC1)NC 2344349562 ULZJJXMJJDXRIE-RYSNWHEDSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](Cc1ccccc1)NCCC 2344357504 RHUIPVSZYJEMHB-ZWKOTPCHSA-N 259.437 4.590 30 10 CJEE C=C[C@](N)(CCC)c1ccc(CCCCCC)cc1 2353132949 HBUMPEGJRRTFLE-SFHVURJKSA-N 259.437 4.950 30 10 CJEE C=C1CC(CNC)([C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353224633 ZIWWOMICESUSSW-GFCCVEGCSA-N 298.257 4.961 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1c(F)cccc1F 2360207802 KOBKUHVWHXMDBJ-SWLSCSKDSA-N 299.430 4.703 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H](C)CC1CC1 2360312666 XWFOLVFGGSGNJB-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CC2)[C@H]1NCCC 2360322776 GHXBQCLJAVWEDZ-IRXDYDNUSA-N 293.520 4.941 30 10 CJEE C=CC[C@H](C)Sc1nc(C(C)(C)C)nc(NCC)c1C 2360333700 NELWRQOWUATHQZ-NSHDSACASA-N 293.480 4.571 30 10 CJEE C=CC[C@H](C)Sc1c(F)cc(CN[C@@H](C)CC)cc1F 2360364190 KGRGHZNRQUJIAA-RYUDHWBXSA-N 299.430 4.910 30 10 CJEE CCn1c(/N=C/c2cccc3ccccc23)nc2ccccc21 5285546 JFJMLVJZJOQCLO-KGENOOAVSA-N 299.377 4.960 30 10 CJEE O=C(C1=CCCCC1)c1ccc(F)c(C(F)(F)F)c1 50325024 KXIKKHBFVDBZPM-UHFFFAOYSA-N 272.241 4.528 30 10 CJEE CC(C)[C@@H](N[C@@H](CC#N)c1ccccc1)c1cccs1 55018333 BZLVCXJZEFHZQW-DOTOQJQBSA-N 284.428 4.690 30 10 CJEE Cc1ccccc1[C@H](C#N)CCCOc1ccccc1F 57686805 CVLFZXLKFHDTBR-HNNXBMFYSA-N 283.346 4.601 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1ccccc1C 57686944 KSRCHYGUMDVBSS-KRWDZBQOSA-N 279.383 4.634 30 10 CJEE CCCCn1c(Cl)c(C#N)c2cc(Cl)ccc21 71465350 FDWQOHKBIBEIPJ-UHFFFAOYSA-N 267.159 4.620 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)c1ccc(F)cc1 73169178 LWXUHOUSWJHPJW-QGZVFWFLSA-N 280.383 4.569 30 10 CJEE CCc1sc(-c2cc3ccccc3o2)cc1CC#N 77098039 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ISROQIJEYPYJRO-UHFFFAOYSA-N 264.413 4.641 30 10 CJEE CCCCCCCCOCc1cc([N+](=O)[O-])ccc1NC 110100150 FOBLHHAYUVNIHC-UHFFFAOYSA-N 294.395 4.514 30 10 CJEE CC(C)CN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110263430 LJOOSEFZOGQORM-FGTMMUONSA-N 292.511 4.955 30 10 CJEE CCCC1CCN([C@@H]2C[C@H](CCC)CC[C@@H]2C#N)CC1 110265395 LBFQOPOARWZAKV-KZNAEPCWSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCOc1cc(OC)ccc1CO 110369615 ZMNNYTDVNDRQCO-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCO[C@@H]1C 122717362 BDDWLFJQHCRWCV-SQNIBIBYSA-N 298.515 4.554 30 10 CJEE C=C(CC)C[C@H](NCCC)c1coc2ccccc12 123060431 UILMNHZOWWRBBE-INIZCTEOSA-N 257.377 4.830 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](OC)C(C)C 127805358 FFJLBDJBJWLAQB-SJORKVTESA-N 271.489 4.776 30 10 CJEE C=CC[C@H](NCCC)c1cc2c(s1)CCCCC2 128610173 FLYHBFQMLJAIMC-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCCCCN[C@H](C)CCSC 130208713 DTCOMKPSTXVBEJ-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCSc1cccc(Nc2c(F)cccc2F)c1C#N 136619169 DIXWFCZWTJUMJH-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE CCCCCCCCCC[C@H](N)c1snnc1CC 143406419 BWVAQOSDFGTXSC-ZDUSSCGKSA-N 283.485 4.631 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(CC)nn1C 143422481 UKEYKDOVVNCWFF-INIZCTEOSA-N 279.472 4.513 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC 156227645 LVBWRPWNQXFPCV-HRCADAONSA-N 251.458 4.641 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2Cl)c(C#N)c(C)n1 157474042 XJGOOTXWUGBMHW-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@@H]1c1ccccc1 159082431 YVQONSUOEVZECQ-SQNIBIBYSA-N 259.437 4.868 30 10 CJEE C=C(Br)CN[C@H](C)c1ccc(C(C)(C)C)cc1 161371851 NAPNRILLPKFXOK-GFCCVEGCSA-N 296.252 4.543 30 10 CJEE N#Cc1cc(Oc2cccc(Cl)c2F)nc2ccccc12 167124392 WPDPQEBQCBPXGG-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE C[C@@H](Nc1cccc(C(C)(F)F)c1)c1cccc(C#N)c1 188569175 QCZLCNOICQFDAU-GFCCVEGCSA-N 286.325 4.843 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccccc1C(F)(F)F 212966123 VOLSYPYMESVUAV-DOMZBBRYSA-N 296.336 4.535 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 221775556 QIIVKPLOZAOAFQ-PDWMJMLSSA-N 284.447 4.670 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@@H](CC(C)C)C1 230779458 PWXIPBGKAFTMRL-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE CCCCCCCC[C@@H](CC1(OC)CCC1)NCC 232948463 KCNXIIZRFPMPAO-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C[C@@H]1CCC[C@H](S[C@@H]2CCCCC[C@H]2C#N)C1 251839264 OAQPYJZNSBFUAR-CBBWQLFWSA-N 251.439 4.771 30 10 CJEE CCCCCCC[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NC 252902926 NNTWLMNTIZROCK-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE CCCCCc1ccc(N=Cc2ccccc2O)cc1 254594997 YJLVMNQXPFXFPS-UHFFFAOYSA-N 267.372 4.876 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2cc(Cl)ccc2Cl)O1 310273840 NYYMWKUVBYLHGD-GWCFXTLKSA-N 270.159 4.517 30 10 CJEE C[C@H](CCC(C)(C)C)Nc1ccc(Cl)c(C#N)c1 310687976 OCTZKMNLABBNIL-LLVKDONJSA-N 264.800 4.838 30 10 CJEE CCCCCCCCn1cnc2c1C[C@@H](C)[C@@H](C)C2 311770912 XCTZYWWYDIMMNH-LSDHHAIUSA-N 262.441 4.614 30 10 CJEE CC[C@H](Nc1cccc(F)c1C#N)c1cccc(C)c1 312479476 TUZQUFIHZHAZPA-INIZCTEOSA-N 268.335 4.569 30 10 CJEE CCCCCCCC[C@@H](N)c1c(F)ccc(F)c1OC 312495221 WUFRHHZATYTGMQ-CQSZACIVSA-N 285.378 4.724 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCCCc1ccccc1 316713670 DOMLCGBBIHLQRV-FUHWJXTLSA-N 258.405 4.795 30 10 CJEE C=CCSc1ccccc1NCC1(OC)CCCCC1 319160189 KIPROUQZPJRZMS-UHFFFAOYSA-N 291.460 4.726 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCC1 322401410 SCCFEOJVGCXECI-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1F 379915292 ZOVFTLPZHKOYBH-HNNXBMFYSA-N 295.829 4.959 30 10 CJEE O=C(C[C@@H]1CCCCC1(F)F)C1=CCCCCC1 382221144 UJJFVKHGMDQOPY-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE C=CCCCCCCNc1cc(C)c(C)cc1[N+](=O)[O-] 383623954 HDJQFIHBEUBKQE-UHFFFAOYSA-N 276.380 4.760 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1 385038413 MWKQMDFFDWRSEU-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(C(F)F)c1 386433259 NLBFBGRIYAZBLQ-TZMCWYRMSA-N 264.319 4.509 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc2ccccc2c1 393737543 AWVZKTXBMFYLDE-KSSFIOAISA-N 253.389 4.845 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cncnc1C 398374970 KFJCVDZCFIFPBY-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE CCCCCCCC[C@H](N)[C@H](C)CC(F)(F)F 402808301 LHWMXGROTHVYRG-NEPJUHHUSA-N 253.352 4.653 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)c1ccsc1 410350035 ACPGGCGVUSQKCI-CYBMUJFWSA-N 285.412 4.609 30 10 CJEE C=C1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504659471 CDCQHKMEOJJEBD-SFUSBHMVSA-N 286.459 4.866 30 10 CJEE CCCCCCCCC[C@@H](O)C1CCC(OC)CC1 686317242 CKYZHESPEDVBJP-OFLPRAFFSA-N 270.457 4.693 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](C)CCCC 686687372 OHQNWXRHRMHSFJ-DLBZAZTESA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H](CC)CC(F)(F)F 686703833 MCPUKAGCNAEMNP-GJZGRUSLSA-N 291.401 4.917 30 10 CJEE CC(C)CCCCCNc1ccc(Cl)c(C#N)c1 690194696 WRYYXUYWCIYUFL-UHFFFAOYSA-N 264.800 4.840 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C)cn1 692235353 RDTLDTXIKOWUAG-GOEBONIOSA-N 272.436 4.926 30 10 CJEE C=CCCCCC[C@@]1(CNCC(C)C)CCOC1(C)C 693191748 FWSIOWOCKGGYNL-SFHVURJKSA-N 281.484 4.554 30 10 CJEE C=C(COCCC)[C@@H](NCC)c1cc2cscc2s1 694395588 BMNLMWCNMFSVQT-OAHLLOKOSA-N 295.473 4.596 30 10 CJEE CCC(CC)(CS)CN(C)[C@H]1CCCC[C@@H]1C1CC1 695815328 LOLQTBSTHZAJFO-CVEARBPZSA-N 283.525 4.623 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCCC[C@@H]3C)C[C@@H](C1)C2 697297053 PLFNBNYJEWTOIV-KYLYMASSSA-N 261.453 4.537 30 10 CJEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698458197 NVZYEJYDDLWJJR-QGZVFWFLSA-N 288.391 4.510 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCCN1C 700210214 ZKRVDTIFOJJZTM-MRXNPFEDSA-N 267.457 4.571 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc2ccncc12 702767518 NFKFBBZKKBYJFE-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCCCC[C@H](NC)c1ccns1 705424312 SKBMYLQEQFIMIK-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2sccc2s1 710618812 GRSKFISYFUFYRL-SECBINFHSA-N 271.838 4.756 30 10 CJEE C=C(Cl)C[C@@H](CCCc1ccccc1)NCCC 710646851 WVYJBIVDNLLZOH-MRXNPFEDSA-N 265.828 4.520 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)ccc1F 715801131 WUPTZGWYROSOAF-ABAIWWIYSA-N 269.791 4.732 30 10 CJEE C#CCCCCC[C@@H](NC)c1cscc1C(F)F 717222549 DSDHOEIRMQVGCJ-CYBMUJFWSA-N 271.376 4.530 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc(Cl)cc1C#N 717552085 DELBHJSSUAWYEB-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1ccc(C#N)cc1 720942425 FHCDROVAUKRYSB-MRXNPFEDSA-N 256.393 4.719 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724232814 ABODQLNIGYJBJI-VSZNYVQBSA-N 281.484 4.695 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc(Cl)c2F)CC1 724549501 NORYZQBQVYPYCP-CQSZACIVSA-N 267.775 4.615 30 10 CJEE C=C1CCC(CNc2cc(Br)ccc2F)CC1 724553865 PIJLWELJXVZKEE-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=C1CCC(CC(=O)c2cc(Br)cs2)CC1 724579950 RBTRXEULDXUMEY-UHFFFAOYSA-N 299.233 4.830 30 10 CJEE C=C1CCC(CC(=O)Cc2cc(C)cc(C)c2)CC1 724581098 BFLOXZIEAWKPPV-UHFFFAOYSA-N 256.389 4.552 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)C1CCCCC1 1134514553 CDYZHWWSRYCYCI-NVXWUHKLSA-N 277.452 4.550 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cc(C)cc(C#N)c1 1182335799 WJVZVNSUFXKWBI-OAHLLOKOSA-N 256.393 4.804 30 10 CJEE 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Cc1ccc(N[C@@]2(C#N)CCCCc3ccccc32)cc1 37935606 JTZWHNSYCZIQFK-LJQANCHMSA-N 276.383 4.552 30 10 CJEE CCCCCCCCNCCCn1ccc2ccccc21 59055528 ZYICZPYHHWOAKR-UHFFFAOYSA-N 286.463 4.982 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NCC)cc1OC 59178995 YYZJMXZETGLZTB-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE Cc1c(/C=N/c2ccccc2S)c2ccccc2n1C 59302156 HBVFQQKWJKTWLL-WOJGMQOQSA-N 280.396 4.526 30 10 CJEE Clc1ccc(Cl)c(N/N=C/c2cccs2)c1 59398984 HJHLLDFZJGAOEE-VGOFMYFVSA-N 271.172 4.501 30 10 CJEE FC(F)(F)c1ccc(N/N=C/c2ccc(Cl)cc2)cc1 59398989 WHNJFEYCSVAYTR-DJKKODMXSA-N 298.695 4.805 30 10 CJEE N#CCc1ccccc1Sc1ccc(Cl)c(F)c1 59788770 OMQHFMVDSMBRIA-UHFFFAOYSA-N 277.751 4.696 30 10 CJEE Cc1c([C@@H](C)N[C@@H]2CCC[C@@H]2C#N)sc2ccccc12 61892338 WFSYPROWJKTKFO-UMVBOHGHSA-N 284.428 4.553 30 10 CJEE COc1c(C)cc(C)cc1-c1cc(C#N)c(C(C)(C)C)o1 77085467 DHBWOORHNBYZBY-UHFFFAOYSA-N 283.371 4.741 30 10 CJEE Cc1ccc(Cl)cc1-c1cc(C#N)c(C(F)(F)F)o1 77086120 YHDRHURLQPRDPK-UHFFFAOYSA-N 285.652 4.799 30 10 CJEE Cc1ccc(SC[C@H](C#N)c2ccccc2)cc1C 80800659 SEMWSMXBUYWBQM-INIZCTEOSA-N 267.397 4.703 30 10 CJEE CCCCCCn1cc(C(=O)CC#N)c2cc(CC)ccc21 84874895 RNRYNLWXIYIBOM-UHFFFAOYSA-N 296.414 4.880 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2cc3ccccc3o2)CC1 91883061 AXBAVOUOCRGRML-INIZCTEOSA-N 283.371 4.576 30 10 CJEE CCc1ccc(OCC2(CS)CCCCC2)cc1 94582714 TVQHYXHZIHPKTD-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE SCC1(CO[C@@H]2CCCc3ccccc32)CCCCC1 94583806 BBGFWJTWTDVVBT-QGZVFWFLSA-N 290.472 4.961 30 10 CJEE CCCCCCCOc1ccc(C=O)cc1C(C)C 100021618 ATDQKHCNIRUPHN-UHFFFAOYSA-N 262.393 4.972 30 10 CJEE CCCCCCCN1C[C@@H](C)Nc2cc(Cl)ccc21 106596811 ZHIDULBMQIZRDM-CYBMUJFWSA-N 280.843 4.931 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)c(C)cc1OCC 107621312 CDQDYQYHLNWXQU-LBPRGKRZSA-N 250.769 4.564 30 10 CJEE CC#C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OCCC 107657071 BFOUXNVQLGSPJJ-LLVKDONJSA-N 285.214 4.984 30 10 CJEE CCCCCCCCCCSc1ccncc1N 109966935 CYEAOEFFNSRVLA-UHFFFAOYSA-N 266.454 4.897 30 10 CJEE CCCCCCCCO[C@@H](CN)c1ccc(Cl)s1 109988940 UYRXOMYYHIVVIR-LBPRGKRZSA-N 289.872 4.778 30 10 CJEE Cc1ccc2c(c1)CCCN2c1ccc(C#N)c(Cl)c1 110253493 UVWFGPKVQUUEIO-UHFFFAOYSA-N 282.774 4.604 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1C(C)(C)C 114060028 OVCBPCAOJLFOLS-QZTJIDSGSA-N 296.543 4.691 30 10 CJEE CCCCCCCCO[C@H]1CC(=O)C1(CC)CC 117298934 BDHATMXCJDAEND-HNNXBMFYSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)c1ccccn1 117686807 UFLAIPPNTYQPSR-IRXDYDNUSA-N 276.468 4.914 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](CCC)OC 122563354 AJYUKKXBVMYCDH-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE CCC[C@H](Nc1cc(C#N)cc(Cl)n1)c1cccs1 122706027 OELHTFGKBDZGGX-NSHDSACASA-N 291.807 4.621 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CSCCS1 125168507 PMADGXCEGMRUQM-GJZGRUSLSA-N 289.554 4.564 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1n1c(S)nc2c(C#N)cccc21 126110981 OEKJORBIYCCATL-ZIAGYGMSSA-N 299.443 4.584 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)CC1 126304228 HNICVTMKWOCPPX-CJNGLKHVSA-N 274.383 4.858 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cccc(SC)c1C#N 127018159 OSVJADUQGMDMTI-GXTWGEPZSA-N 274.433 4.661 30 10 CJEE CCCCCCCC[C@@](N)(CC)c1ccc(F)cn1 128784331 BSSPCTUFHIXZCZ-INIZCTEOSA-N 266.404 4.535 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cc(OC)ccc1C#N 130504582 AHCJOUYZLQZKHH-CYBMUJFWSA-N 281.355 4.873 30 10 CJEE CCCCCCCCC[C@@]1(O)CCc2cc(N)ccc21 131821163 KAFNFTBMDUQUSR-GOSISDBHSA-N 275.436 4.543 30 10 CJEE C[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)s1 134662304 LZXRQZYDPGGMFG-MNOVXSKESA-N 290.819 4.685 30 10 CJEE CCCCCCCCCC(=O)c1csc(C)n1 135411145 PKGABEXYORCJBD-UHFFFAOYSA-N 253.411 4.775 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cncs1 147776995 SKBOZBHKJHTQGR-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE C=CC[C@H](C)N[C@H]1c2cc(Cl)ccc2CC1(C)C 162618043 SNFQBLYJQSQOFF-NHYWBVRUSA-N 263.812 4.518 30 10 CJEE Cc1cc(F)cc(-c2nc(-c3cccc(C#N)c3)cs2)c1 162759798 FFPJZWVPPBPGQS-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE CCCCCCC[C@@H]1CCCC[C@H]1CNC1CC1 211849411 HZDPXKLVKDNSQV-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=CCC[C@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 212313521 SCGGOYHLQVZJLP-SQNIBIBYSA-N 265.485 4.887 30 10 CJEE N#C[C@H]1CC[C@@H](c2ccccc2)C[C@@H]1SCc1ccco1 222267304 OTRIHLUVBGZYCI-NUJGCVRESA-N 297.423 4.989 30 10 CJEE C#CCCCCCOc1ccc(Cl)cc1Cl 224831235 XTNBKBFPJWAWSW-UHFFFAOYSA-N 257.160 4.566 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCS[C@H]1CCC[C@@H](C)C1 226532738 SDYOXPLEEPQKLF-IXDOHACOSA-N 296.524 4.749 30 10 CJEE C#CCCCCN[C@H](CCCCC)c1ccccc1 229643884 CZDRGRBNJWOWPP-GOSISDBHSA-N 257.421 4.701 30 10 CJEE CC[C@H](C)c1ccc(OCC[C@@H](C)CCS)cc1 232360739 PHOZOGQBRMMXQT-KGLIPLIRSA-N 266.450 4.925 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H](C)CCC 232962280 IOLPSXRTNCJARY-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE C=CCCCCC[C@H](CSc1ccccc1)NC 234449102 GLBRCKPMFNDLEG-OAHLLOKOSA-N 263.450 4.503 30 10 CJEE CSCCCCCCNc1ccc(Cl)cc1C#N 235033945 BDTBRTHQIGVFFD-UHFFFAOYSA-N 282.840 4.547 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1F)c1cccc(Cl)c1 235563202 SILCWXWPMGSCSO-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1ccc2oc(C(=O)C3=CCCCCC3)cc2c1 235986537 KJFUSMGKAGQDOW-UHFFFAOYSA-N 254.329 4.814 30 10 CJEE C=CCCCCCNCCc1ccc(Cl)cc1Cl 236045685 KLYREFVLVHLTDY-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE C=CCCCCC[C@H](N)CSc1ccc(Cl)cc1 236301342 YQRNGCOKRAGJIK-AWEZNQCLSA-N 283.868 4.896 30 10 CJEE N#CC[C@@H](c1ccccc1C1CCSCC1)C1CC1 260680075 UZCCKERLWJREEY-MRXNPFEDSA-N 271.429 4.704 30 10 CJEE CC(C)(C)[C@H](CS)COCC1CCCCCC1 302329542 HWSHFGFDMYZIIB-AWEZNQCLSA-N 258.471 4.566 30 10 CJEE C=CCC[C@@]1(CNC(C)(C)C)CCc2ccccc2C1 317980780 MVOORPXVZFBXBB-LJQANCHMSA-N 271.448 4.516 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](N)[C@@H]1C 381539349 CRIBGPGBCLEQCY-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE N#CC1(C[C@H]2CCCC(F)(F)C2)Cc2ccccc2C1 382681276 BYKBNLLVXJXXDY-CYBMUJFWSA-N 275.342 4.511 30 10 CJEE CCC1CCC(C/N=C2/N[C@H](CC(C)(C)C)CS2)CC1 393490804 SOFMUSSUCIQWFR-YMAMQOFZSA-N 296.524 4.700 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc2sccc2c1 395341376 YGROIQOKIQTUHY-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCC/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccccc1 396659961 OGOBMTVDPWCDJC-FYWRMAATSA-N 272.197 4.502 30 10 CJEE CCCCCCCCC[C@@H](CCCC1CC1)NN 405803770 WBMLMFYRGDCJQG-INIZCTEOSA-N 254.462 4.539 30 10 CJEE N#CC1CCC(CN[C@H]2CCCC[C@@H]2c2ccccc2)CC1 442872526 IDRSNEBENIJQAE-TZJYRCSTSA-N 296.458 4.632 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1F 466572693 KQZUXOCBNBCWCK-MRVPVSSYSA-N 290.165 4.673 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccnc2)C1 651699811 IGNMBDQBGGLULO-LSTHTHJFSA-N 292.426 4.505 30 10 CJEE C#CCCCCC[C@H](O)C1(CC(C)C)CCCC1 686673011 RMKXWWKHNMSWRA-INIZCTEOSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@@]1(CNC2CC2)CCCC[C@H]1C 686694059 ILJPEOQSIXPDLZ-AEFFLSMTSA-N 261.453 4.519 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(C#N)Nc1ccc(F)cc1 691090985 SOTXHSCNCVBQLP-DLBZAZTESA-N 274.383 4.736 30 10 CJEE C[C@@H]1CC(CNc2ccc(Cl)cc2C#N)C[C@@H](C)C1 695262644 ASNNOJYMEBATHA-RYUDHWBXSA-N 276.811 4.696 30 10 CJEE CCCCCCCCC[C@@H](CC#CCOC)NCCC 698880178 RZWZRAUEXVHVSH-SFHVURJKSA-N 281.484 4.535 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(C(F)F)cc1 701205972 NHNRXJRJKVJJAE-HNNXBMFYSA-N 284.394 4.879 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C)c(C)s1 702037756 SBTFMTUSOCZTPB-CFVMTHIKSA-N 278.465 4.545 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@H](C(F)(F)F)C1 704506605 HJIZQEPGCCTSAE-KBPBESRZSA-N 295.389 4.566 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@H](CCC)C1 704904936 SINZSYZDNHVIRT-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE C=CCCC(C)(C)CNc1nccc(C)c1Br 707741533 AZMJSPVURUVQLO-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)NCCC 712896570 DTSGCUVVCRCCRX-KURKYZTESA-N 263.469 4.927 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCC(C)(C)CO2)CC1 714102782 KWXILIPBRKIECB-ISXOHVOVSA-N 263.425 4.692 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H]4CCCC[C@@H]43)C[C@@H](C1)C2 714282839 PZTXFWAYGZDIGX-WOHKFPLYSA-N 273.464 4.680 30 10 CJEE CCCCCCCC[C@H](NCC)C1C[C@H](C)O[C@@H](C)C1 724280401 TVZXKZWWQAIJTO-BQFCYCMXSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(F)cc2)CC1 724589022 NHKAGNICXUBCPN-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2CC(C3CC3)C2)CC1 724598497 BQAGAYMODWSGHI-DAWZGUTISA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCCC2(C)C)CC1 724618941 QTVHLLSBHVYHMD-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE CC(C)O/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821228687 FRIGJTXSENOXCC-FBMGVBCBSA-N 259.393 4.523 30 10 CJEE CC(=NNc1cccc2ncccc12)c1cccc(Cl)c1 915964676 IPVQOYDNKGQGPN-UHFFFAOYSA-N 295.773 4.724 30 10 CJEE CCOc1ccccc1N=Cc1cccn1-c1ccccc1 1083995877 PQQJLYZBANRLCS-UHFFFAOYSA-N 290.366 4.627 30 10 CJEE Oc1cccc(N=Cc2cccn2-c2ccc(Cl)cc2)c1 1084581969 NSXPZIYWSWHOBQ-UHFFFAOYSA-N 296.757 4.587 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1ccccc1 1127384177 OJYQYDONOJSHIV-JQHSSLGASA-N 285.431 4.636 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 1130934224 HFQJKXJVHLGZGH-QFBILLFUSA-N 294.394 4.644 30 10 CJEE C=C1CC(C)(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)C1 1156831937 IDLVEVXXNFMLFV-UHFFFAOYSA-N 295.382 4.858 30 10 CJEE C=CC[C@H](CC)Nc1nc2c(C)c(C)ccc2s1 1163279051 WYVLOXDSCZTBGK-LBPRGKRZSA-N 260.406 4.680 30 10 CJEE C=CCC(C)(C)CNc1cc(C(C)C)nc(C(C)C)n1 1186556590 GMXJCWIOPDRZAL-UHFFFAOYSA-N 275.440 4.738 30 10 CJEE C=CCCCCN1CCC(c2ccc(CC)cc2)CC1 1196645641 BKTYJUZWLYASSG-UHFFFAOYSA-N 271.448 4.785 30 10 CJEE C=CC[C@@H]1N(Cc2cc(C)ccc2NC)CCCC1(C)C 1205568240 HHIUSIRFXGABNK-SFHVURJKSA-N 286.463 4.603 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@H]2CCCC)cc1 1205751917 GCIFPDCXVPVMKT-IEBWSBKVSA-N 287.447 4.700 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CCC(C)(C)CC1 1206262733 BQFHARDVPSMKPK-SFHVURJKSA-N 271.448 4.732 30 10 CJEE FC(F)(F)c1ccc(-c2ccccc2CS)cc1 1240820992 IBVCEAGEQLOHRN-UHFFFAOYSA-N 268.303 4.802 30 10 CJEE C=CCN(CCc1ccccc1CC)CC1CCCCC1 1307471328 OGENFFVERVZHCM-UHFFFAOYSA-N 285.475 4.860 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(C)(C)Cc2ccccc2)C1 1308269063 UJCJPYMJOMUVTP-SJLPKXTDSA-N 271.448 4.590 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCC[C@@H](C)C1 1308585595 OESBTGYNSXUUBB-AEFFLSMTSA-N 257.421 4.501 30 10 CJEE C=CCN(CC[C@H](C)c1ccccc1)Cc1cccs1 1308657909 XDYAGJIBTFAXOF-INIZCTEOSA-N 285.456 4.930 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](c1cccc(Cl)c1)C(F)F 1308939860 QZLBHESMAHHDSQ-KGLIPLIRSA-N 287.781 4.981 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C)cc1SC 1310884022 DQOVMBURZNNEMZ-ZDUSSCGKSA-N 292.448 4.583 30 10 CJEE C=CCOc1cccc(NC(=O)[C@H](CC)CCCCC)c1 1351409896 JHDUMQCYYYHZJN-OAHLLOKOSA-N 289.419 4.796 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2ccc(C)s2)CCCCC1 1356346864 YQZQGUWOXOPKQB-CQSZACIVSA-N 291.460 4.760 30 10 CJEE C=CCOc1ccc(OC(=O)[C@H](C)CCCCCC)cc1 1435309833 VCLMYNSISZOCPG-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=CCCC[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 1458272440 IFLBOQYDPHAYJA-INIZCTEOSA-N 287.447 4.605 30 10 CJEE C=CCN(C(=O)c1cc(C)c(-c2ccccc2)s1)C1CC1 1458349160 ROVIHGDJXGYAJJ-UHFFFAOYSA-N 297.423 4.514 30 10 CJEE C=CCCCCN(CC)Cc1ccc(C(F)(F)F)cc1 1459450354 NZCJKLGYCYURAZ-UHFFFAOYSA-N 285.353 4.884 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc(CCC)cc2)CC1 1465049593 QSBGIOJZXYGQTF-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=CCCCCCN(C)C(=O)Nc1ccc(Cl)c(C)c1 1466972026 RDJPTGBVJRTCHL-UHFFFAOYSA-N 294.826 4.859 30 10 CJEE C#CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)C1CCCCC1 1473137575 XAFLXDAXEWDRIQ-PIIMJCKOSA-N 275.480 4.717 30 10 CJEE C=CCOc1cccc(CNCC2CCC(CC)CC2)c1 1473988014 YYNWEWOCEXBQMP-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCCC1(CNCc2csc(C)c2C)CCCC1 1474208545 JMDIQSRKSOTVOK-UHFFFAOYSA-N 277.477 4.981 30 10 CJEE C=CCC1(CNC[C@@H](C)c2cc(F)cc(F)c2)CCCC1 1474520730 FZXFLFXEGZSWCL-CQSZACIVSA-N 293.401 4.794 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCc1ccsc1 1474623172 JWNYNFOFYDAXPK-UAGQMJEPSA-N 277.477 4.794 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CC)c(CC)c1 1528527121 GRUCURPIIGRSRG-MJGOQNOKSA-N 299.458 4.676 30 10 CJEE C=CCCC[C@H](NC(=O)CC(C)(C)C)c1ccccc1 1533766939 VGOSNLWYCFNKGV-INIZCTEOSA-N 273.420 4.636 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 1539121604 KCBAHMMBOZXFAQ-LJQANCHMSA-N 291.394 4.852 30 10 CJEE C=CCC1(NC(=O)CCCCC(C)C)CCCCC1 1543288253 FIOWSRSEFAEYBG-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C#CCCCCCCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 1559777091 INCMCQRTZZSQAU-KUNTWMTDSA-N 287.491 4.765 30 10 CJEE 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FUNYWONERGIYOK-XRRVDJEJSA-N 263.743 4.522 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CC[C@@H]2C(C)(C)C)CC1 2320219722 OLIOAGJTDJZSSL-PMPSAXMXSA-N 250.426 4.556 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc(F)c(Cl)cc1Cl 2325185109 YTKGPEANNRQVHL-SNVBAGLBSA-N 290.209 4.967 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CCCC12CCC2 2327116490 UIKKSTZQMVVALR-ZFWWWQNUSA-N 270.482 4.708 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@H](N)c1ccc(C)cc1 2335096882 RSTSBVVCVOPPDS-YOEHRIQHSA-N 275.461 4.637 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cc2ccccc2s1 2337062198 KAFUQDXXKHCSFO-CJNGLKHVSA-N 271.429 4.736 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1c(C)cccc1F 2338734794 FIAQLFNRIIHQKC-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NC)C12CCC(CC1)C2(C)C 2338744615 PJDQHQFHRXJVIJ-PQUAAJSLSA-N 261.453 4.559 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(F)c(C)c2Cl)C1 2338783329 VRIIJMCHMAOFTD-HNNXBMFYSA-N 281.802 4.794 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)[C@H](C)C(C)C 2340130675 AZNREAJGKCSAQQ-IKGGRYGDSA-N 270.505 4.887 30 10 CJEE COc1cc(C(=O)C2=CC[C@H](C(C)C)CC2)sc1Cl 2340278297 WNIIUHICNYPXOZ-JTQLQIEISA-N 298.835 4.975 30 10 CJEE CC1(C)C[C@H]1C#CC(=O)CCc1cc(Cl)cc(Cl)c1 2341157058 IFVKMABMHGODRA-GFCCVEGCSA-N 295.209 4.545 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 2343420609 MHXBJYLFJNRJOH-BREBYQMCSA-N 296.197 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21 2344335693 BRCACTPGMVQBKD-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cc(F)ccc1Cl)NCCC 2344380955 TXQXQICNVRCKTL-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE CC(C)[C@@H]1CC[C@@H](N(C)C[C@](C)(CS)C(C)(C)C)C1 2352098371 MJUYJVJAXJMERJ-BFYDXBDKSA-N 285.541 4.725 30 10 CJEE CCC(=CC(=O)c1cccc(CC(F)(F)F)c1)CC 2353188447 BPSJHYXZAXUJTD-UHFFFAOYSA-N 270.294 4.721 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C[C@@]12CCC[C@@H]1C2 2359394037 BQCYOVMLYUQBQZ-AOIWGVFYSA-N 273.464 4.541 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)OCCN 2360077242 IFGWLHABRXIYAR-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE C=CCSc1ccccc1NCc1ccsc1 37766363 JMNVLPXGCUWASH-UHFFFAOYSA-N 261.415 4.638 30 10 CJEE N#Cc1ccc(Nc2ccnc3c(Cl)cccc23)cc1 39963800 RCXPSCYVOXTVQJ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCC[C@@H](Nc1cc(C)ccc1C#N)c1cccs1 51580034 ZUDBSMBXBYXLES-CQSZACIVSA-N 270.401 4.882 30 10 CJEE N#C[C@H]1CCCC[C@H]1Sc1cccc(Br)c1 55307777 ZTVAWUCSQUDOMX-ZWNOBZJWSA-N 296.233 4.624 30 10 CJEE N#C[C@@H](CCCc1ccccc1)c1ccccc1Cl 57685502 JMOALCMXJYNJQT-OAHLLOKOSA-N 269.775 4.970 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)Cc1ccc(C)cc1 57723394 RYIGDEBGTQYYNL-SFHVURJKSA-N 293.410 4.977 30 10 CJEE CCCCCCCO[C@H](C)[C@H](N)c1ccc(CC)cc1 59199023 ACRRKUUKMDTCJF-QAPCUYQASA-N 277.452 4.624 30 10 CJEE C=C(c1ccccc1)[C@@H]1NCCc2ccc(CCC)cc21 75746942 ZQBIKYJPNTWCGC-FQEVSTJZSA-N 277.411 4.539 30 10 CJEE CCCCN(Cc1cc(C#N)ccc1F)c1ccccc1 81581607 QIROTDNVJFWCGF-UHFFFAOYSA-N 282.362 4.504 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)C3=CC(=O)O[C@@H]3C(C)(C)CC[C@@H]2C1 85762479 HJTIEBXNTWYKEY-HQJJXPTPSA-N 288.431 4.657 30 10 CJEE biogenic N#C[C@H](CNc1ccc2sccc2c1)c1ccccc1 88120579 XXFPNEOTPNFAQK-OAHLLOKOSA-N 278.380 4.621 30 10 CJEE CCCC1CCC(C#N)(C2(O)C[C@@H](C)C[C@H](C)C2)CC1 91886897 LVCMOUVNNRZEIR-JUVOFCAFSA-N 277.452 4.674 30 10 CJEE Cc1cc(C)cc(CSc2ccc(F)cc2C#N)c1 94718352 LUPGDLMJBFZMRX-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE CCCCCCC[C@](C)(C#N)Nc1cccc(F)c1 103066678 QUJVAHCMRSCYNJ-MRXNPFEDSA-N 262.372 4.880 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2ccccc2n1 109204854 CUFARYHJNYIKMJ-INIZCTEOSA-N 270.420 4.985 30 10 CJEE CCCCCCCCCC[C@@H](COCCC)NCC 109733575 NAWNKEOLYHFZAX-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCC[C@H](N)c1ccc(F)cc1Cl 110462932 SJKDSGHJJKDUMS-AWEZNQCLSA-N 257.780 4.839 30 10 CJEE CCCCCCC[C@@](C)(CC(=O)OCC)N1CCCCC1 114347568 IVOOBNFWZFXSMM-SFHVURJKSA-N 297.483 4.545 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@]1(C)CC 115231127 LKMOHXKPJBMVPL-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCc1nc2cc(C#N)ccc2n1C 115862804 CLMTYJXOCJCTCW-UHFFFAOYSA-N 283.419 4.738 30 10 CJEE CCCCCCC[C@H](O)[C@]1(C#N)CCC[C@H](CC)C1 118273975 QGPIKTDCVZGSHA-YESZJQIVSA-N 265.441 4.818 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](CC)OCC 125484935 LYVJJDHHLJPIMX-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](CC)OCC 125541501 OVMAKZKTTDURBC-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 130031250 RUCXEMUZOFTUHD-CQSZACIVSA-N 289.250 4.858 30 10 CJEE Cc1cc(C)cc(CSc2cc(C#N)ccc2[C@H](C)O)c1 131757592 MFHOFMRKSHQFCZ-AWEZNQCLSA-N 297.423 4.521 30 10 CJEE CCCCCCCCCCNc1cccc(N)c1[N+](=O)[O-] 157456706 ARTKYGSVTXYBTD-UHFFFAOYSA-N 293.411 4.730 30 10 CJEE CCCCCCCC[C@H](NC)C1[C@H]2CCCC[C@H]12 158958882 MLKJIFDLLXSBPK-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE Cc1ccc(F)c(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164402710 GOYKQVLOPSEVHI-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C(F)(F)F)c(C#N)c1 164446137 KHNSTGOXSLKCHA-ABAIWWIYSA-N 296.336 4.592 30 10 CJEE C[C@@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 164498153 UUKRHYRJEBISSL-ZYHUDNBSSA-N 283.293 4.535 30 10 CJEE C=CC/C=C(\COCCC#N)[Si](C)(CCC)CCC 195820226 XHKOTLOHLKZIOM-MHWRWJLKSA-N 279.500 4.857 30 10 CJEE CCCC[C@@H](CCC)Nc1sc(C#N)c(N)c1SC 226163663 IXVLVANLDKEIER-SNVBAGLBSA-N 297.493 4.695 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(CC)cn1)NC 228709061 LABNRHWCKFTKRC-QGZVFWFLSA-N 276.468 4.525 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(C)cc1Cl 232959073 DFXUCBJRSOBLHF-HNNXBMFYSA-N 267.844 4.879 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc(Cl)c(Cl)c1 236049491 BLAVXTADAZHBEE-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=CCCCCCOc1c(Cl)cc(Cl)cc1CO 236515626 QZCVZJFNRJDDDJ-UHFFFAOYSA-N 289.202 4.611 30 10 CJEE CCCCCCCCC(=O)Nc1cccc(C(C)=NO)c1 252676965 NKIROMUBOLGRRQ-UHFFFAOYSA-N 290.407 4.574 30 10 CJEE CC1CCN([C@@H]2CCCCCCCCCCC2=NO)CC1 263621932 UJDWZVONLWLTSM-GOSISDBHSA-N 294.483 4.832 30 10 CJEE CCCCCCC[C@@H](CC#CC(C)(C)C)NCC 302242578 FZORJIMOFDJSIX-INIZCTEOSA-N 251.458 4.765 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc2c(c1)OCC2 308491136 QPHBMSBNTXLQPA-QGZVFWFLSA-N 275.436 4.762 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@]1(O)CCCC12CCCCC2 312981050 BGFYXMPWDCIHGA-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE C=C([C@@H](NCC)c1ccc(C(C)(C)C)cc1)C(F)(F)F 380590295 LIGLKZGSSUMERK-CQSZACIVSA-N 285.353 4.753 30 10 CJEE CCCCCCCCCCNC[C@@H](OC)[C@H](C)CC 381323449 XAECGURXKNWJQY-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCC(=O)C1(NC)CCCC1 388242885 CSHBHCKNVXIUTG-UHFFFAOYSA-N 267.457 4.619 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cocc1C 395421679 XKJVISNCEDOXIQ-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE Cc1cc(SC[C@@H](C#N)C(C)(C)C)nc2ccccc12 397554404 IZFYXPZJBSNNCA-CYBMUJFWSA-N 284.428 4.821 30 10 CJEE C=C(C)CON[C@H](C)c1ccc(-c2ccccc2)cc1 400876302 VLNLGTHOAXSGDW-OAHLLOKOSA-N 267.372 4.512 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1CCOC1)NCCC 400993738 AZMCXUJXGAJMDO-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](O)C1(C#N)CCCCCCC1 401952743 MIHZCWBXVMIQGL-IXDOHACOSA-N 277.452 4.818 30 10 CJEE C[C@H](CCN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512625549 OVPAVBUMTGSEJD-HUUCEWRRSA-N 296.389 4.542 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](C)c1ccccc1 686690031 OEWRLDVTERGWCP-PKOBYXMFSA-N 271.448 4.742 30 10 CJEE C=CC[C@H](CNC(C)C)CC(C)(C)C(F)(F)CC 691019677 KXLZGAOJYMJUGA-ZDUSSCGKSA-N 261.400 4.638 30 10 CJEE CCCCCCCCOC[C@@H]1CCC2(CCCC2)CN1 694528047 IPBLSGQEMDAOBD-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H](C)Oc1ccccc1 700667718 YCZOBAZNFXUMAF-WMZOPIPTSA-N 275.436 4.569 30 10 CJEE C=CC(C)(C)CCNCc1ccc(C(C)(C)C)s1 701863797 GJXQZNSCOSYEQI-UHFFFAOYSA-N 265.466 4.738 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)CC(C)(C)c1ccccc1 701911711 QETMVSUAGAAOKJ-INIZCTEOSA-N 273.464 4.935 30 10 CJEE CCSc1cccc(NC[C@]2(C)CC2(C)C)c1C#N 702361936 CDEIVYZCMBZEJV-INIZCTEOSA-N 274.433 4.518 30 10 CJEE CCCCCCCNCc1cc(Br)ccc1C 703765671 NTWNRFJXRUVTSI-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE Cc1ccccc1S[C@H](C#N)[C@H]1CCCC[C@H]1C 704930584 HTRGZWSZKYYUQT-IVMMDQJWSA-N 259.418 4.806 30 10 CJEE C#C[C@H](N[C@@H]1c2cc(Cl)ccc2CC1(C)C)C(C)(C)C 705219527 QLSYHWSACCIEQL-JKSUJKDBSA-N 289.850 4.601 30 10 CJEE CC1(C)CO[C@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)C1 708470795 WADAJUWALJIOKU-AWEZNQCLSA-N 277.452 4.938 30 10 CJEE C[C@@H]1C[C@H](N(C)CCCCCCS)CC(C)(C)C1 708583403 JITABJBMZIOFAG-CABCVRRESA-N 271.514 4.623 30 10 CJEE Cc1cc(C#N)ccc1NC1CCC(C2CCC2)CC1 709978690 DHUBGICYTSNPRC-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(C(=O)O)c1 710457217 COAPCJXXQQFQIV-INIZCTEOSA-N 278.392 4.559 30 10 CJEE CCC[C@@H](CC)/N=C1/NC2(CCCCCCC2)CS1 713284327 IWKXASJOPYQBMZ-CQSZACIVSA-N 282.497 4.741 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(OC(F)F)cc1 715706463 SAAGJTYCUOZDBZ-WFASDCNBSA-N 283.362 4.541 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 715714609 LOGYBJBAGYTUNX-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1 715725891 RGBNZKNIWCDXPQ-SWLSCSKDSA-N 296.252 4.702 30 10 CJEE CCCCCCCCCC[C@]1(N)COC[C@@H]1CC(C)C 716272362 RQMWETHQKYULJN-ROUUACIJSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](O)C1CC2(CSC2)C1 718491378 NGKKLGIRKKYBKU-OAHLLOKOSA-N 270.482 4.631 30 10 CJEE Cc1ccc([C@H](C#N)C2C[C@@H](C)C[C@H](C)C2)cc1C 719376650 KCSXEJYGCWWVLR-LXIYXOSZSA-N 255.405 4.983 30 10 CJEE CC1(C)OB(/C=C2\CC[C@@H]3CCCC[C@H]3C2)OC1(C)C 723642977 FSEXWWGUEOEYHD-SWBCYVRMSA-N 276.229 4.535 30 10 CJEE C=C1CCC(CC(C)(C)[C@@H]2CC[C@H](C)C[C@@H]2O)CC1 724604345 OSYQINSBBJFCLG-UAGQMJEPSA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@@H](N)C(CC)(CC)C(F)(F)F)CC1 724610772 LJIOATZKJLZACN-CYBMUJFWSA-N 277.374 4.819 30 10 CJEE C=CC1(CC(=O)N2CCC(CC)(CC)C2)CCCCC1 1126918084 WBARVWZCHYWDKR-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(C)cc2ccccc12 1129026950 UWHJZMLAAMCKJD-UHFFFAOYSA-N 267.372 4.689 30 10 CJEE C=C(CC)C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 1151300964 PPGVKRYDZQFMCO-KRWDZBQOSA-N 291.394 4.521 30 10 CJEE C#C[C@H]1CCCN(C(=O)/C=C\CCCCCCCCC)C1 1163597975 HTKKERMETUFBOJ-NZHZHZHDSA-N 289.463 4.555 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](C(C)C)CC2)C1 1205480848 MQTKBOOUSCNMQF-BDXSIMOUSA-N 263.469 4.926 30 10 CJEE Cc1nc2ccc(Nc3cccc(Cl)c3C#N)cc2s1 1216127282 LAZAOALPURYRQC-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1c(C)cccc1C 1266299979 CCGDZCICGVYCPC-HNNXBMFYSA-N 272.388 4.676 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(-c2ccco2)cc1F 1270334833 PFDZZTLDCSRCCT-GFCCVEGCSA-N 287.334 4.627 30 10 CJEE C=CC[C@H](CC)NC(=O)c1ccccc1-c1ccccc1C 1270622479 MLIMBZDEIOBPQN-INIZCTEOSA-N 293.410 4.747 30 10 CJEE C#CCN(C[C@H](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 1307430520 DNRLKQOKOIUFIR-VQIMIIECSA-N 283.459 4.681 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(Br)c(F)c2)C1 1308377469 FSSLDMNHICAUEQ-QWRGUYRKSA-N 298.199 4.745 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CCc2ccccc21 1355717298 RTULHSSTFSACHT-YJBOKZPZSA-N 285.431 4.515 30 10 CJEE C#Cc1cccc(N(C(=O)C[C@H]2CCCC[C@@H]2C)C(C)C)c1 1358268025 RTHJXVQCULYCCH-FUHWJXTLSA-N 297.442 4.626 30 10 CJEE C=CCC[C@H](NC(=O)c1cccc(C)c1C)c1ccccc1 1458134512 LSOLWZSXHWWHSL-IBGZPJMESA-N 293.410 4.741 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc(CCCC)cc1 1458466673 IMLHCSHMSBYSJV-KRWDZBQOSA-N 260.377 4.537 30 10 CJEE C[C@@H](CS[C@@H](C#N)C1CCCCC1)c1ccccc1 1459059648 CQRAGDNXAPVOBW-YOEHRIQHSA-N 273.445 4.996 30 10 CJEE 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4.624 30 10 CJEE CCN[C@@H]1CCC(C)(C)C[C@H]1CC=CC#CC(C)(C)C 2284087403 DANGSENRHJSNOC-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@]1(C)COC 2284687633 AAEYELVXXGQCEY-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@]1(CNCCC)C[C@]1(C)COC 2284707233 HHGZFLOXHSOEGY-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCC[C@](C)(O)c1cnc(C)n1C(F)F 2284789663 DSYBSANQLBFPHK-HNNXBMFYSA-N 288.382 4.545 30 10 CJEE O=C[C@]1(C[C@H]2CCC[C@H]2C(F)F)CCCCC12CCC2 2285545874 LFWXXRJRMVUWCT-CKEIUWERSA-N 284.390 4.988 30 10 CJEE C=CCCCSC[C@H](NCC)c1ccc(CCC)cc1 2287066987 ZMOFRXCPWNAVRG-SFHVURJKSA-N 291.504 4.989 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](COC)C(=O)C1 2287101923 ULYHXLPAWRJIKG-HZPDHXFCSA-N 298.492 4.630 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](O)c1cscc1C 2287381718 ZUSYNEFTGGCODZ-IAGOWNOFSA-N 295.492 4.595 30 10 CJEE CO[C@@H]1C[C@@](C=O)(CC[C@H](C)CCCC(C)C)C1(C)C 2287866937 GGPIFVOXEWNZLU-JFIYKMOQSA-N 282.468 4.859 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1cc2ccccc2s1 2289787768 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2316941952 DTSXFNAWMRYROU-QMTHXVAHSA-N 284.230 4.612 30 10 CJEE CCCCCCCCC[C@H](F)[C@]1(C)CCCCN1 2318839982 KWKIMLUSNDABBY-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC(C)CC1)NCCC 2321105384 OXNDOCRFAUHHEW-ODZFXCKXSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cscc1C(F)(F)F 2321107902 KNKYQTKERANXDD-LLVKDONJSA-N 277.355 4.630 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@@H](C)C(F)(F)F)NCCC 2321118605 UIUFBWUNAOKSIM-XQQFMLRXSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C(C)C)CCC1)NC 2321140855 KMNVHRMEEISNAV-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@H]2C(C)(F)F)CC1 2331317602 ODXQIVZKVMQCOC-YNEHKIRRSA-N 270.363 4.619 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(C)(F)F 2333365761 VAJLRLLUNNDPLH-RBSFLKMASA-N 274.395 4.945 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 2334630912 PFWZMKYVGWVZCI-DFGXFYAUSA-N 262.437 4.988 30 10 CJEE CC(C)CCC[C@](C)(O)C1(C#N)CCCCCCC1 2337651075 LQMWXCLBSNMPPI-INIZCTEOSA-N 265.441 4.818 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(F)ccc1C(F)F 2338269079 FKOFVHNTRSQGBT-IINYFYTJSA-N 271.326 4.626 30 10 CJEE C=CCC(CC=C)[C@H](NC)C1CC(CC(C)(C)C)C1 2338703337 UDKTXJWXBNHXCI-PREGVCBESA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)C1(C(=O)O)CCC(CCC)CC1 2338730766 UDJKTACGKLWHOR-UHFFFAOYSA-N 264.409 4.816 30 10 CJEE C=CCC(CC=C)[C@@H](OCCCN)c1ccsc1Cl 2338858168 ORGWGLWPDLLAEQ-CQSZACIVSA-N 299.867 4.576 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339279398 JBDGIBVSHNIRJK-HWMZRRJGSA-N 258.405 4.684 30 10 CJEE Cc1c(F)ccc(C[C@]2(C=O)CCCC[C@H]2C)c1Cl 2339316388 LMVCCIJFIUAHAO-BZNIZROVSA-N 282.786 4.725 30 10 CJEE CCCCCCCCO[C@H](C)CCCCNC(C)C 2340366529 AISWFQPETQRYCT-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE C[C@@H]1[C@H](N(C)CC2(CS)CCCCCC2)CC1(C)C 2342876150 LGWZBQOZKVXOEE-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C)c(Cl)cc1OC 2344348211 IOCNZONYPDOXLD-HNNXBMFYSA-N 281.827 4.520 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(CC[C@@H]2CCC(C)(C)C2)C1 2344865126 ZEIIKGYYBVMCNZ-ZMSDIMECSA-N 263.425 4.692 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1C1(C#N)CCCCCCC1 2344875049 RPBOPPGWROYPGM-JKSUJKDBSA-N 263.425 4.834 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1[C@]1(C#N)CCCC(C)(C)C1 2344875813 ZFIOVUFMOVNHCY-ZMSDIMECSA-N 263.425 4.690 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@]23CCC[C@H]2CSC3)CC1 2357960417 CWYKWWLBDKSGCE-MPGHIAIKSA-N 292.488 4.861 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H](C)CC1CC1 2360322594 FSILZYCXLPBJKH-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)Sc1c(F)cccc1CNC1CC1 2360379459 VVTQQMSWYGDJLR-UHFFFAOYSA-N 291.435 4.691 30 10 CJEE Cc1ccccc1/C=C1/CC[C@H](C2CCCC2)C1=O 33910870 VERFDXWUHGZEQQ-TXQCQQFXSA-N 254.373 4.548 30 10 CJEE [N-]=[N+]=Nc1c(Cl)cc(Br)cc1Cl 36928137 JAKHVTRBXQUMNR-UHFFFAOYSA-N 266.913 4.698 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](SC(C)C)C1 37685718 LGYCMEXGNPUUPO-HZSPNIEDSA-N 253.455 4.873 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2ccc(OC)cc2O1 43967888 MIYVMTJIVXTHRF-SJLPKXTDSA-N 292.419 4.630 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)CCCN(CC)CC 59089832 CRLXZJQOGNDXDQ-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE CCCCCCCCNc1cnc2c(cnn2C(C)C)c1 59090704 CGNFZZCPJGFSBU-UHFFFAOYSA-N 288.439 4.785 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1cc(C)ccc1C 59526167 ZGYHXQCVZXTOPB-INIZCTEOSA-N 276.420 4.862 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cccc(Cl)c1C#N 60275198 NHVIOIQXAFGHOV-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE N#C[C@H]1CCCC[C@H]1c1ccc(Cl)c(Cl)c1 62625218 WCZFGQRUHUQQLJ-MNOVXSKESA-N 254.160 4.791 30 10 CJEE CC/C(=N/O)c1ccccc1OC1CCC(CC)CC1 68606548 YDTLIRBFYWHXJA-VLGSPTGOSA-N 275.392 4.623 30 10 CJEE C=CCCCn1cc(CCCCNCC)c2ccccc21 80060930 VCSZLPRPQDNVAO-UHFFFAOYSA-N 284.447 4.540 30 10 CJEE Cc1ccc(SCc2nc(C(C)C)c(C#N)s2)cc1 82430135 UOWBCKBNAGNTSC-UHFFFAOYSA-N 288.441 4.739 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@H](C(C)C)CC2)cc1 86949119 ZLJIZHQQTPPRNR-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE C=CCSc1ccccc1NCc1cccc(COC)c1 88553543 DWSPFCYTTOEKJX-UHFFFAOYSA-N 299.439 4.723 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)CC=O 91464645 VIEOZJHIACDEBG-INIZCTEOSA-N 256.430 4.637 30 10 CJEE C=C(C)C[C@H](Cc1cccc(C(F)(F)F)c1)NCCC 92129960 SDLDKQKMDWUEMT-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE CCC(CC)N(CC(C)C)CC1(C=O)CCCCCC1 93310137 NUPRLZPGJQDHBL-UHFFFAOYSA-N 281.484 4.673 30 10 CJEE CCCCCC[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N 94335112 UVHPVVAQTICXKQ-NSHDSACASA-N 299.340 4.743 30 10 CJEE CC(C)[C@H]1CCCN(CC2(CS)CCCCC2)CC1 94581679 VOISXBBOJIFROH-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@@H]1C(C)C 94581838 NBHUQNKICMLKAI-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE CC(C)Oc1ccc(Cl)cc1C(=O)/C=C/c1ccco1 96887956 KMJOPFUQLARSFX-VOTSOKGWSA-N 290.746 4.616 30 10 CJEE C=C(CC)C[C@H](NCCC)c1nccc2ccccc12 97208802 SYLYSPOVVQFTKV-KRWDZBQOSA-N 268.404 4.632 30 10 CJEE CCCCCCCc1ccc(-c2noc(CC)n2)cc1 97998426 DEEKPYDGSVJIPT-UHFFFAOYSA-N 272.392 4.812 30 10 CJEE CCCCCCCNCCCc1ccccc1Cl 100027437 UJHJWSQBXHCYOW-UHFFFAOYSA-N 267.844 4.833 30 10 CJEE C=C[C@H](C)Cc1ccc(OCCC)c(OCCC)c1 107569977 JHBCPDXCDQMRGG-AWEZNQCLSA-N 262.393 4.629 30 10 CJEE CCCCCCCO[C@H](CNC(C)C)c1ccc(F)cc1 110067872 NITIBSARSKSNOS-GOSISDBHSA-N 295.442 4.852 30 10 CJEE Cc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1C(F)(F)F 110167447 FQXCYQVEBNOLCU-DOMZBBRYSA-N 296.336 4.898 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccccc1C(F)(F)F 110251467 ONIJWFDKOHWZMO-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1C#N 110259912 FYPOCLRWFGVLDC-RISCZKNCSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](CCC)C1 114054578 ADFIQUNMYCHSME-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccc(C)o1 115062989 ALWRZOWZFKNWGQ-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@](C)(CC)C1 115653970 WRPSHZOMLNLFRO-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnn(C)c1 115689016 HBWYQFJARNSBIN-QGZVFWFLSA-N 279.472 4.602 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(C)c1Cl 122418261 IUYFUBYZOOUDRB-HNNXBMFYSA-N 282.859 4.903 30 10 CJEE CCSc1cccc(N[C@H](C)[C@H](C)CC)c1C#N 127014109 TUJZKTJSOXQLIE-VXGBXAGGSA-N 262.422 4.517 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(C)nn1CC 135556424 BDQBECMXMLRBCP-QGZVFWFLSA-N 280.456 4.776 30 10 CJEE CCCCCCCCNCCCCCCCCCO 148168319 JJTFBLPGOUFJRR-UHFFFAOYSA-N 271.489 4.660 30 10 CJEE C[C@H](C[C@@H](O)C1(C#N)CCCCCCC1)c1ccccc1 156815516 VZOZVEIBPDJDRY-SJLPKXTDSA-N 285.431 4.795 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1ccccc1F 158951328 LWODNBMHFYVPCG-KRWDZBQOSA-N 265.416 4.836 30 10 CJEE CCCCCCCCNC1=NC2(CCCCC2)CS1 161091507 YLBVLJIHTRWXME-UHFFFAOYSA-N 282.497 4.742 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2F)CCc2ccccc2C1 164668605 XADWWUMBHBRAKB-SFHVURJKSA-N 299.776 4.720 30 10 CJEE Cc1ccc(S[C@@H](C#N)C2CCCCCC2)cc1 167876464 VBMSSQLDEXZYEU-INIZCTEOSA-N 259.418 4.950 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](OCC)c1ccccc1 168161481 GDXYSQFBEZBMIK-QZTJIDSGSA-N 277.452 4.713 30 10 CJEE CCCCN(c1ccccc1)c1ccc(C#N)cc1C 203512035 MPBHGNIXFAYWFD-UHFFFAOYSA-N 264.372 4.805 30 10 CJEE C[C@@H](Nc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 218479841 QORSDEOSYJHGJT-OAHLLOKOSA-N 299.377 4.793 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228551642 VVOWNDXUOVKOMU-YVEFUNNKSA-N 289.806 4.537 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCOC2(CCC2)C1 229829408 SLOJSJQMGSVPSF-SJORKVTESA-N 281.484 4.804 30 10 CJEE C#C[C@H](CC)N[C@@H](c1cccs1)c1ccc(Cl)s1 229881988 KURSGWHTFBDDHH-YGRLFVJLSA-N 295.860 4.554 30 10 CJEE CCCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 233052273 DBPDEYWCNNTPBR-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 248294509 VZPLPJYMHRXUQV-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE N#Cc1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1Cl 252423940 CUYYOHHXVRLOCX-KCQAQPDRSA-N 288.822 4.982 30 10 CJEE CCCC[C@H](CC)COc1cc(F)ccc1C(C)=NO 252430372 LPIZNKPSMAUCFC-ZDUSSCGKSA-N 281.371 4.619 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 253049995 TWYKCWUPFSTIDC-ZBRFXRBCSA-N 283.500 4.904 30 10 CJEE CC(C)(C#N)Cc1ccc(Oc2ccccc2)cc1 259132699 MQNWBCWBGQXVJG-UHFFFAOYSA-N 251.329 4.571 30 10 CJEE CCCCCCC1(B2OC(C)(C)C(C)(C)O2)CC1 310002418 FTPDTSFYOSCLDX-UHFFFAOYSA-N 252.207 4.583 30 10 CJEE CCCCCCCCCCSCCCC(=O)O 310444261 TZGRTUBAJIRWSL-UHFFFAOYSA-N 260.443 4.725 30 10 CJEE CCCCCCC[C@H](CCC1CCOCC1)NCC 311611138 FQWZKYMPISVKFK-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H]2CCCCC[C@@H]2O)CC1 312640215 ZQTYICHYBZLQHF-NDUQDZPOSA-N 277.452 4.674 30 10 CJEE CC(C)[C@@H](Nc1cccc(CC#N)c1)c1cccs1 313414123 XJIOSZCHYSWESX-MRXNPFEDSA-N 270.401 4.623 30 10 CJEE O=C[C@@]1(Cc2ccc(Cl)cc2Cl)C[C@H]2CC[C@H]1C2 316465879 QBUBGVVZGOUABV-WBIUFABUSA-N 283.198 4.541 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)CCC=CO1 317353245 HUAXIDYAJHILEQ-MRXNPFEDSA-N 268.397 4.665 30 10 CJEE C=C(C)C[C@]1(CNC(C)(C)C)CCc2ccccc2C1 318012249 NARURBHCXATVQM-LJQANCHMSA-N 271.448 4.516 30 10 CJEE CCCCCCCCC[C@H]1COC(C)(C)[C@@H]1NCCC 380479698 UDSNYODCDDJLQO-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCn1cc(C(C)=O)nc1CC 383526369 KMIMJPZTMAANDW-UHFFFAOYSA-N 278.440 4.789 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc(Cl)ccc1Cl 385042718 OKUZIMIUDBQGIJ-SNVBAGLBSA-N 272.219 4.856 30 10 CJEE CCCCCCCCCCN[C@@H]1CSC1(C)C 393879782 KGVPTSYLXHEBBX-CQSZACIVSA-N 257.487 4.611 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2ccccc2Cl)C1 394579508 UNWDGXSHLGPVRK-WWGRRREGSA-N 276.811 4.860 30 10 CJEE N#CCc1ccc(Cl)c2cc(C(F)F)sc12 396188248 JWXUVZKENJHOOB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)CCCC 410372625 IDOVTMVMZAVESQ-AWEZNQCLSA-N 259.393 4.570 30 10 CJEE Fc1cc(C(F)(F)F)cc(C(F)F)c1C(F)(F)F 575339779 QMGFNJQINRNOMM-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE CCc1c(OC(F)F)cc(C(F)F)cc1C(F)(F)F 575653391 DGDAQLLSPZKHLD-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 686699166 CKEKZGIDCZXMFY-YESZJQIVSA-N 260.421 4.746 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(COC)c1 693433001 HDLMJGRHSKEUOT-GOSISDBHSA-N 277.452 4.844 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@H]1CCC12CCCCC2 694286581 OZPBFZXITARJLA-INIZCTEOSA-N 276.468 4.751 30 10 CJEE CCCCCCCCC[C@@H](F)CC1CCNCC1 695272185 FTYXNJNSXPMPDW-MRXNPFEDSA-N 257.437 4.855 30 10 CJEE C=C1C[C@H]2CC(Nc3ccsc3Cl)C[C@@H](C1)C2 697304472 LESKRJJPSDMWRN-FOSCPWQOSA-N 267.825 4.948 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C#N)cc3Cl)C[C@@H](C1)C2 700212528 HCHIDSKGWWHOEV-YIONKMFJSA-N 286.806 4.758 30 10 CJEE C=CCCC(C)(C)CNCc1c(C)cc(C)cc1C 703987834 GPSHRPUAJMBWIP-UHFFFAOYSA-N 259.437 4.694 30 10 CJEE CCC1CCC(C=O)(CC2(c3ccccc3)CC2)CC1 704042878 HHQGPDIYXARHGN-UHFFFAOYSA-N 270.416 4.894 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1cc(F)cc(C#N)c1 705913650 SAPAALHOQQZKLB-OAUYIBNBSA-N 274.383 4.570 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C[C@@H]1CCOC1 707622733 TXDAMHTVSBHVBS-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@@H]1O 708713987 ZRKHWSUEFLEEAA-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCCCC[C@H]2CC)CC1 709154173 WYEMSMWQPCRILX-GPQLOAJWSA-N 277.452 4.818 30 10 CJEE CCCCCCCCNC[C@@H]1CCCC2(CC2)C1 709978732 UUUZNMJCUJQCAB-MRXNPFEDSA-N 251.458 4.907 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)c2ccccc2n1 710475715 MVMHYYJBLLTHLU-MRXNPFEDSA-N 288.822 4.727 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CC(C)(C)OC1(C)C 711399041 LYJIWFKFETUMCM-LSDHHAIUSA-N 281.484 4.551 30 10 CJEE N#C[C@]1(CC[C@@H]2C[C@H]2C2CC2)CCCc2ccccc21 714896685 QPXDSPWDVGFAOV-ZIFCJYIRSA-N 265.400 4.611 30 10 CJEE C=CC[C@H](C)[C@H]1CCCCC[C@@H]1CNCC(C)C 715788317 PXEXYCQPMHZLGH-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)CCCC2CC2)C1 720147769 KJJBVQZQTKGGAX-OAHLLOKOSA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1C[C@H](C)O[C@H](C)C1 724268363 IJESNHQPCAGPAH-YYIAUSFCSA-N 269.473 4.529 30 10 CJEE CC/C(=N\OCCCc1ccccc1)c1ccc(C)cc1 821217526 DWRRDLCUYPLMDS-FMQUCBEESA-N 281.399 4.759 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1124836195 KPROGYXIKSTSGF-UONOGXRCSA-N 285.387 4.555 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1127429154 BXOCEOIBUVXRGQ-LBJONPDWSA-N 291.479 4.866 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 1134626394 GTLHYKJZRBVMPH-UHFFFAOYSA-N 295.357 4.529 30 10 CJEE C=CCS[C@@H](c1ccccc1)c1ccc(F)cc1 1166056227 HGATVOWBDCJHCO-INIZCTEOSA-N 258.361 4.834 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(SC(F)F)cc1 1181315002 JDFGVCXUIZPHOL-ZDUSSCGKSA-N 283.387 4.542 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1280275609 LGLLXNKFVRXQDY-VVLHAWIVSA-N 289.463 4.549 30 10 CJEE Cc1ccccc1[C@H](Nc1nccc(C)c1C#N)C(C)(C)C 1307068111 AUCSJSJYTVHVAB-KRWDZBQOSA-N 293.414 4.769 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCC[C@@H](SC)C1 1308715199 VRDISRHZVSRJFE-JKSUJKDBSA-N 275.461 4.891 30 10 CJEE C=CCC[C@H](CCC)NC[C@H]1CCCC[C@@H]1CC 1308792207 OEFJXXRRIVUUMW-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccccc1)C(CC)CC 1353905548 JVEMNSBCOBFFJN-GOSISDBHSA-N 287.447 4.882 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc2c(C)cccc2o1 1354055290 UOUSTNISUSYJNV-UHFFFAOYSA-N 285.387 4.560 30 10 CJEE C/C(=C\Cl)CSCC#Cc1cccc(Cl)c1 1459060735 ZVOGLKCIQYFAIN-PKNBQFBNSA-N 271.212 4.567 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 1460675312 LXGRIALFPUIGEE-NZSAHSFTSA-N 299.458 4.679 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@H](CC)CCC(F)(F)F 1462335387 TZECJDUHXBMSEN-HZPDHXFCSA-N 299.380 4.885 30 10 CJEE C=CCCC(C)(C)N[C@@H]1CC[C@](C)(c2ccccc2)C1 1462454951 XJSZBCFOCGHVGL-MJGOQNOKSA-N 271.448 4.831 30 10 CJEE C=CCCCN(CC)C(=O)Nc1c(CC)cccc1CC 1465145358 IOSJQQBEOFONKM-UHFFFAOYSA-N 288.435 4.631 30 10 CJEE C=CCCCN(CCC)[C@H]1C[C@H](OCC)C12CCCCC2 1473199774 SICFEEQTRICCMT-ROUUACIJSA-N 293.495 4.793 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H](CC)CCC)c1ccccc1 1519376462 VFCIRCZFFLVWPA-RDJZCZTQSA-N 273.420 4.636 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1cc(Cl)ccc1F 1520535433 PKYYUVJDHGQELZ-NSHDSACASA-N 296.769 4.852 30 10 CJEE C=CCC(CC=C)C(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 1527350403 APHWBNNDCWJBLI-WMZOPIPTSA-N 291.479 4.962 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C 1533810819 IHNFSLJAFQEWHK-GIYJESFFSA-N 291.479 4.866 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@@H](C=C)CC)c1ccccc1 1537032032 KPWAIURGIADOCF-WMZOPIPTSA-N 285.431 4.803 30 10 CJEE C=C(C)CN(CC)C(=O)[C@H](C)SC(CC)(CC)CC 1613708125 KJFFZXMEDMIFHW-AWEZNQCLSA-N 285.497 4.502 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCc3ccc(C)cc32)CCCCC1 1616320550 RDNJJGOQKXXVJI-SFHVURJKSA-N 297.442 4.625 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC/C=C\c1ccc(F)cc1 1620967752 YCQXEXMIVDQJTC-ATYVUACHSA-N 295.401 4.616 30 10 CJEE C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 1633584284 AHZFAOMGWRIHAO-ARFHVFGLSA-N 294.483 4.587 30 10 CJEE C=CCC[C@H](NCC=C(Cl)Cl)c1ccccc1 1642481551 GNOFTOKAFCCEIR-ZDUSSCGKSA-N 270.203 4.603 30 10 CJEE CCCCCCSc1ccc(C#N)cc1Cl 1643787058 IJMRDCCXZGIESE-UHFFFAOYSA-N 253.798 4.884 30 10 CJEE C=C(CN[C@@H]1CCC[C@H](CC)CC1)c1ccccc1 1649117665 MVGYBFOKPGPJQZ-FUHWJXTLSA-N 257.421 4.648 30 10 CJEE C#CCOc1cc(F)ccc1NCc1ccc(C(C)C)cc1 1650632656 LGNYXVCTORFTOE-UHFFFAOYSA-N 297.373 4.573 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 1652146480 ORBVITNMVUBLNY-LTIDMASMSA-N 251.458 4.926 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C 1652778491 CGHLCLGRTIRGLL-HRCADAONSA-N 251.458 4.926 30 10 CJEE C=CCCCCCN(C)[C@@H](CC)c1cccc(OC)c1 1654375787 VQNJNGKZFRFXCD-SFHVURJKSA-N 275.436 4.825 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccccc1Br 1655014369 JSGOSSYBHNZMTE-ZDUSSCGKSA-N 296.252 4.798 30 10 CJEE C=CCCCCCCCCNC(=O)N(C)C1CCCCC1 1655524075 CELGVSPNTBFHRU-UHFFFAOYSA-N 294.483 4.877 30 10 CJEE C=CC[C@@H]1CCN1Cc1cc(Cl)cc2ccccc12 1656411120 NWNDWADVEQEGSH-MRXNPFEDSA-N 271.791 4.644 30 10 CJEE C=C(C)CCN(Cc1cccs1)c1ccc(OC)cc1 1657567338 ZMUGBFNEDAZWHZ-UHFFFAOYSA-N 287.428 4.730 30 10 CJEE C=CC[C@H]1N(C(=O)O[C@@H](C)CC(C)C)CCCC1(C)C 1668915401 JILKLQXQVSAMFV-LSDHHAIUSA-N 281.440 4.624 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)CC2CCCCC2)c1 1674976476 TVOKMOWCIYEDSD-UHFFFAOYSA-N 286.419 4.764 30 10 CJEE C[C@H]1CCCC/C1=N\OCc1cc(Cl)ccc1F 1860467843 QHZOGPFISOVFDS-KDSBZSBUSA-N 269.747 4.562 30 10 CJEE CC[C@H]1CC[C@H](CN(C)C[C@H](CS)C(C)(C)C)CC1 1877937040 JDJONPYXYPOSCB-BZUAXINKSA-N 285.541 4.727 30 10 CJEE CCCC1CCC(CN(C)C[C@H](CS)CCC)CC1 1877943634 BZLBYCJOLUXZBH-OFLPRAFFSA-N 285.541 4.871 30 10 CJEE CCCC[C@H](CC)N(C)c1cc(Cl)c(C#N)cc1F 1879295021 NWSWLBPJWLKWHV-LBPRGKRZSA-N 282.790 4.756 30 10 CJEE Cc1cccc(Cl)c1N=C1N[C@]2(CC[C@@H](C)C2)CS1 1880888530 ZXVQNSHZKNHFPZ-BMIGLBTASA-N 294.851 4.531 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1csc(Cl)c1 1881297812 LVVFCHOFPVZEDR-UHFFFAOYSA-N 291.847 4.980 30 10 CJEE C#CC[C@@H](C[C@H](NC)c1cc2sccc2s1)C1CC1 1887491252 ZQQUNRKDXAONPY-STQMWFEESA-N 289.469 4.663 30 10 CJEE CCc1ccc(C#N)c(N(Cc2ccccc2)C(C)C)c1 1887715753 GTEQQRFNLAYORZ-UHFFFAOYSA-N 278.399 4.536 30 10 CJEE CCCCc1ccc(C(=O)C2=CC[C@H](C)CC2)cc1 1900271326 AGJYTIUSMBRXKQ-AWEZNQCLSA-N 256.389 4.958 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cccc(Cl)c2C)C1 1913056372 RHJOVPCKDWVAOA-XJKSGUPXSA-N 264.796 4.586 30 10 CJEE C=CC[C@H](C)O[C@@H]1CCCCCCCCCC[C@@H]1O 1913670823 DECINEBPLXJIFH-YESZJQIVSA-N 268.441 4.612 30 10 CJEE CCCCCCCCC[C@@]1(F)CCCC12CNC2 1918327565 VKIXNNQGEYYJGS-MRXNPFEDSA-N 255.421 4.609 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1ccc2c(c1)CCC2 1919871642 HOZCUIVWKSDLGY-LJQANCHMSA-N 274.448 4.829 30 10 CJEE CC[C@H](CC(F)(F)F)C[C@@]1(C=O)CCCC12CCC2 1921596184 VKINZCPQCHWROY-GXTWGEPZSA-N 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4.927 30 10 CJEE SCC1(COc2ccc3ccccc3c2Cl)CC1 2327872414 XKLKDTPEDPPVGI-UHFFFAOYSA-N 278.804 4.582 30 10 CJEE CCC[C@@H](CC)COC[C@H](CS)c1ccccc1 2328190975 QVMKZMJVHJQDIO-GDBMZVCRSA-N 266.450 4.543 30 10 CJEE C=CCC(CC=C)S[C@H]1CC(CC)(CC)CC[C@H]1N 2335191710 RLPJDEUNJKCOHS-CVEARBPZSA-N 281.509 4.927 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1c(F)ccc(C)c1Cl 2335583726 ZWLUUXOZYKRIBA-GXTWGEPZSA-N 281.802 4.794 30 10 CJEE CCCCCC1CCC([C@H](N)C#CC2CCC2)CC1 2337433280 ZCJIBQRKYOUBSF-DAWZGUTISA-N 261.453 4.504 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc(C(C)(C)C)c1 2338732184 GUKVEGBBBZSMOS-UHFFFAOYSA-N 256.389 4.935 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@H](F)C1 2338746338 FLQNHERVVYYYDY-IKGGRYGDSA-N 267.432 4.651 30 10 CJEE CN(c1cc(Cl)c(C#N)cc1F)c1ccccc1Cl 2339114378 SXVDWDCVXIZDIP-UHFFFAOYSA-N 295.144 4.772 30 10 CJEE CC1CCC(C=O)(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339275677 SLAZQHFQQIOKCO-YZMJHREJSA-N 260.421 4.764 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C=O)CCC[C@H](C)C2)c1Cl 2339316182 JNAAOOUABZBMJH-MEDUHNTESA-N 282.786 4.725 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc2cc(C)ccc2o1 2344420022 JQVZOCLWRBBQHM-QGZVFWFLSA-N 256.345 4.916 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncsc1C1CC1 2344734298 CEEAOJCVZDQRTF-INIZCTEOSA-N 280.481 4.945 30 10 CJEE CC1(C)CC[C@@H](CC[C@@]2(C#N)CCOC(C)(C)C2)C1 2344861609 LZASVKUDKDGSDO-WMLDXEAASA-N 263.425 4.692 30 10 CJEE CC1(C)CC[C@@]2(CCN2C[C@@](C)(CS)C(C)(C)C)C1 2352068541 MYLVADNBYOIASY-DLBZAZTESA-N 283.525 4.623 30 10 CJEE CSc1cc(N[C@@H](C)[C@H]2CCC2(C)C)ccc1C#N 2353828842 ZKIDDIDGYQDVPE-SMDDNHRTSA-N 274.433 4.517 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC[C@@H]1C[C@@H]1CC 2358712493 INUZDXXGCSTEBP-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359126727 PBRHQUWVSUVPNW-XLAORIBOSA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2c(s1)CCCCC2 2360324351 PAYCRLQLVBGSGS-UHFFFAOYSA-N 290.428 4.695 30 10 CJEE C=C(C)COc1ccccc1C(=O)Nc1ccc(C)c(C)c1 9877435 OKACQFMAPZSDOP-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CCCCCCOc1c(/C(C)=N/O)ccc2ccccc12 35427619 UKCBVOFTEKRWEV-XMHGGMMESA-N 285.387 4.997 30 10 CJEE CCCCN(CCCC)[C@H]1C[C@@H](CC)CC[C@@H]1C#N 37146851 AIGDDMOTACVGRT-BBWFWOEESA-N 264.457 4.607 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1ccc(C#N)c(Cl)c1 37393317 VMKVOPVOSOUNBH-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE C[C@@H](Nc1cccc(OCCCC#N)c1)C1CCCCC1 37777443 HQGYOCRXDARNFI-OAHLLOKOSA-N 286.419 4.750 30 10 CJEE C[C@@](C#N)(Nc1cccc(Cl)c1)C1CCCCC1 37937397 DPFPFVDNZZDMGH-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CSc1ccc([C@@H](C#N)Nc2ccccc2Cl)cc1 37938140 NVPIVRYFDSKIGK-OAHLLOKOSA-N 288.803 4.739 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)C1CCCCC1 41357829 GIGRREZVWBVBNS-CQSZACIVSA-N 263.768 4.536 30 10 CJEE CCc1ccc(OCCC[C@@H](C#N)c2cccc(F)c2)cc1 57688410 CWWWLTREKOGTSO-KRWDZBQOSA-N 297.373 4.854 30 10 CJEE N#Cc1sc(Cc2cccc3ccccc23)nc1C1CC1 82435262 NGYGIWVXOBEGRI-UHFFFAOYSA-N 290.391 4.636 30 10 CJEE Cc1ccc(-c2nc3cc(C#N)ccc3n2C(C)(C)C)s1 86636983 LAPORQBODKWYRN-UHFFFAOYSA-N 295.411 4.700 30 10 CJEE Cc1ccc([C@@](C)(O)C2(C#N)CCC(C)(C)CC2)cc1C 91878605 KXXHTTJSAXDQIG-GOSISDBHSA-N 285.431 4.621 30 10 CJEE CCC(CC)(CS)COc1ccc(SC)cc1 94585208 DCWDSVJHOOZGPH-UHFFFAOYSA-N 270.463 4.524 30 10 CJEE C=CCSc1ccccc1NC(=O)/C=C\c1ccc(C)o1 96872982 QFOJQSWFSXITBA-KHPPLWFESA-N 299.395 4.518 30 10 CJEE C=CC[C@H](CC)c1ccc(Br)c(C)c1 107608986 LXTWLBAPBFGEDT-NSHDSACASA-N 253.183 4.827 30 10 CJEE CCC#CCCc1cc(Cl)cc(Cl)c1OCC 107656164 NUGWFKLRHSMLTG-UHFFFAOYSA-N 271.187 4.738 30 10 CJEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 109947647 ORABNLCWVHKIPL-MRXNPFEDSA-N 288.753 4.914 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1O 110022481 GLTVCTAILPCBDW-GBESFXJTSA-N 290.447 4.671 30 10 CJEE CCCCCCC[C@H](NC)c1nccc2ccccc12 111932169 WBSNNTIKENWZFA-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OC(C)C)c1 115831294 RQQXTLGYHQVUDZ-QGZVFWFLSA-N 264.409 4.868 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)c(F)c1 115856148 YHXKYEMREHNTEA-MRXNPFEDSA-N 281.415 4.975 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NC)C12CCCCCC2 117340165 DZDKHGCWVZNPJE-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCn1ccc([C@H](O)C(C)C)c1 118245848 FCTISSZUBLGGOP-MRXNPFEDSA-N 251.414 4.538 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1C)c1ccccc1F 127299535 NRWFTAHBJHWWHY-INIZCTEOSA-N 268.335 4.569 30 10 CJEE CCCCCCCCN(C)[C@@H](C)c1cccc(N)c1 128966556 FAONMGZIRULYSW-HNNXBMFYSA-N 262.441 4.622 30 10 CJEE CCCCCCCCCOC1CCC(=NO)CC1 129661612 NBCQAFLYAPXGHT-UHFFFAOYSA-N 255.402 4.526 30 10 CJEE CCCCCCCCC[C@@H](NN)C(CC)(CC)OCC 130971426 VVKZQKNLSSNVEB-MRXNPFEDSA-N 286.504 4.554 30 10 CJEE CCCCCCCC[C@H](N)COc1cccc(Cl)c1 140261794 ICYLKCJUSHXKRE-HNNXBMFYSA-N 283.843 4.797 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC(C)C 156233645 GVAJUHANGBGDRX-HRCADAONSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CO[C@@H](C)C1 157980031 JMQXMZUQOPEWMB-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C=C[C@](C)(CNCCC)Cc1csc2ccccc12 158786142 AMTPSEVUJMZTPG-KRWDZBQOSA-N 273.445 4.636 30 10 CJEE N#C[C@@H](C(=O)c1cc2ccc(F)cc2s1)c1ccccc1 161166051 IOZCBXVUZZKNQQ-CQSZACIVSA-N 295.338 4.530 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCO[C@H]1C1CC1 166026996 DQKPQYDCNCOJAT-FUHWJXTLSA-N 296.451 4.787 30 10 CJEE C=CCCC[C@@H](NCCC)C1C2CC3CC(C2)CC1C3 167706711 OIWORPNCAPMGRN-OIAUPDTQSA-N 275.480 4.783 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCO[C@@]2(CCSC2)C1 169186928 DIPAHJHEVOHQRH-WBVHZDCISA-N 298.492 4.608 30 10 CJEE CCCCCCCCCCC[C@H](N)COCCC 229795362 FFYWLLKXUFKLQK-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCC[C@H](C)NCc1ncc(CC)s1 232948011 FHKIZPLJLPRYHP-ZDUSSCGKSA-N 268.470 4.544 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccccc1OCC 233546385 KCBWARVJXONMFB-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc2c(s1)CCC2 234464401 BFQAHLXWJHLMTO-CQSZACIVSA-N 263.450 4.634 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2c(c1)CCC2 234464701 UATSSQKAIKZQNN-GOSISDBHSA-N 257.421 4.572 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1C[C@H]2CC[C@H]1C2 250829633 PWQLDPNKHGJFLW-QZWWFDLISA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1C[C@H]1c1ccccc1 253011110 RVBBIEUKLOSHRM-OTWHNJEPSA-N 288.479 4.763 30 10 CJEE N#C[C@@H](c1ccc(F)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 305955702 DOMYXJJTFIJVBN-ZNIXKSQXSA-N 263.743 4.522 30 10 CJEE CCCCCCC[C@H](NCC)c1cncc(Cl)c1 307961115 WLBTUQJSRXZCTG-HNNXBMFYSA-N 268.832 4.746 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1 308055232 MRUISKNUBQKAOI-IUODEOHRSA-N 277.795 4.589 30 10 CJEE CC[C@@H](C)c1ccc(Oc2cc(C)nc(C#N)c2)cc1 308280590 TUJFTJGCQVWOIB-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@](C)(CNCC)O1 311980530 OJBULFYZLHLYTG-SJORKVTESA-N 269.473 4.674 30 10 CJEE N#C[C@]1(C[C@H]2CCCC(F)(F)C2)CCc2ccccc21 312135294 LPBLCUQZMILLES-CZUORRHYSA-N 275.342 4.610 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@]2(C#N)CCCc3ccccc32)C1 312631833 IQURWMHHMQVMCB-WXSAJPJJSA-N 267.416 4.857 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cccc(F)c2Cl)C1 316913454 VSSPLFJBVUMLBJ-LRDDRELGSA-N 282.786 4.807 30 10 CJEE CC[C@](C)(C#N)c1ccc(Cl)c(Cl)c1Cl 380147912 ZWNNYAZYIOBADN-LLVKDONJSA-N 262.567 4.838 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccc(C(F)(F)F)cc1F 384768096 BKKSDJYCTQHOOV-HZMBPMFUSA-N 285.284 4.816 30 10 CJEE Cc1cc(SCCCCCC#N)nc2ccccc12 385272833 XWJNKWOZXPUSBV-UHFFFAOYSA-N 270.401 4.719 30 10 CJEE CCCCCCCC[C@H](NC)C(C)(C)OC(C)C 394705285 KWHGTYQNEHOOMG-HNNXBMFYSA-N 257.462 4.529 30 10 CJEE CC(C)[C@@H](NC[C@@H](C#N)C1CCCCC1)c1cccs1 397201304 QEZBJZVLEPAOMR-NVXWUHKLSA-N 290.476 4.755 30 10 CJEE CC(C)c1ccc(SC[C@@H](C#N)C2CCC2)cc1 397285156 JLMNVDHEBVCHEB-OAHLLOKOSA-N 259.418 4.842 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1OC 398442585 WHPZIUQGGVTQTI-UHFFFAOYSA-N 256.773 4.698 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC(F)(F)c1ccccc1 400557106 BRHQFNNNUCIZCH-INIZCTEOSA-N 281.390 4.749 30 10 CJEE CCCCCCCCCCN1CCC(CCCO)CC1 400904639 AAWXNOKMPIWTTK-UHFFFAOYSA-N 283.500 4.612 30 10 CJEE CCCCCC(C)(C)CNc1cc(C#N)sc1[N+](=O)[O-] 407170770 ZOQUIPKSFPEEBN-UHFFFAOYSA-N 295.408 4.546 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C)c(F)c1 410356234 VITJDHZCKZVXMP-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 457278108 LGPHEQAAHGUUTB-SJLPKXTDSA-N 297.442 4.733 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@H]1c1cccc(C#N)c1 616592987 JRYVFIGZPYSXCR-IBGZPJMESA-N 290.410 4.851 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 686708492 GUCXRUOEKFVCPX-OLZOCXBDSA-N 274.326 4.508 30 10 CJEE FC(F)c1cccc(N=C2NC3(CCCC3)CCS2)c1 687323910 OOTPFPDZAFCCGZ-UHFFFAOYSA-N 296.386 4.651 30 10 CJEE CO[C@@H]1CCCC[C@@H]1C1(C=O)CC(C)(C)CC(C)(C)C1 688006507 OMMDPASEMHULLE-LSDHHAIUSA-N 280.452 4.613 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)COC[C@@H]1C 688010525 VETLKVOYVAPJCF-DLBZAZTESA-N 270.457 4.695 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC2CCC2)C1 688020970 MHQGQJZSNYSENS-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CC12CCOCC2 689901256 OCMODTGMMJOIEO-DLBZAZTESA-N 281.484 4.661 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1F 692203598 HHIIVSLDEVENAC-IUODEOHRSA-N 281.802 4.704 30 10 CJEE CCCCCCCCCCCCOC[C@@H](N)CC 693726518 YTBYBUICCVCITF-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCC[C@H](O)C[C@H](C)c1ccc(N)cc1 696722452 ABARNMDMKUGIRD-YJBOKZPZSA-N 277.452 4.874 30 10 CJEE CCCCCCCCCC(=O)c1cn2c(n1)CCCC2 697260031 VFWLOLGNLVKOQR-UHFFFAOYSA-N 276.424 4.543 30 10 CJEE C=C1C[C@H]2CC(NC(C)(C)CC(C)(C)C)C[C@@H](C1)C2 697306182 FPMQCNUYRKYBJO-XYPWUTKMSA-N 263.469 4.926 30 10 CJEE CCCCCCCC[C@H](O)Cc1csc(C2CC2)n1 698780941 NWZXFKCRADGRCT-HNNXBMFYSA-N 281.465 4.675 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(C)cc1OC 703775380 APNQQRAZLZHSCG-OAHLLOKOSA-N 263.425 4.625 30 10 CJEE CCCCCCC[C@H](C)NC1CCC(OCC)CC1 703790590 IVXXWQKBWAOKRA-GTPINHCMSA-N 269.473 4.673 30 10 CJEE CCC(Nc1cccc(Cl)c1C#N)(C1CC1)C1CC1 704609309 LUBAYWGYAKARRE-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE N#Cc1cc(F)cc(Nc2cccc(SC(F)F)c2)c1 709684005 ASYVIZYYFQKCOG-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE C[C@@H](CC1CCC1)Nc1ccc(C(F)(F)F)c(C#N)c1 710269640 RGFCNTSRKVMLRX-JTQLQIEISA-N 282.309 4.568 30 10 CJEE C=C(Cl)CC1(CNCC)CCC(CCC)CC1 710646153 LXMBFFFPDYEJSA-UHFFFAOYSA-N 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252.446 4.655 30 10 CJEE C[C@H]1CCC[C@](C=O)(CC2(C)CC(C(F)(F)F)C2)C1 2264519658 GMQIVNOFGMPHKO-GFJIZPEISA-N 276.342 4.751 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CC(F)(F)C12CCC2 2266285837 FTGKISNJTLFHKM-HZSPNIEDSA-N 270.363 4.597 30 10 CJEE CC(C)(C)C#CC=CCN1CCCCCCCCC1 2268827287 AOXVSXYCWLGUAF-UHFFFAOYSA-N 261.453 4.638 30 10 CJEE CCCCCCCC[C@@H](C=C(C)C)OCCC(=O)O 2274652778 XMKRYNUOWBRZGS-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C=CCCCCCCC[C@@H](CCC(C)C)OCCN 2276064821 UZQCWDBDEASADX-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C(C)CCCC[C@@](CC)(CCCCC)OCCN 2276147787 MFKIBUONXTZDBH-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CCCCCCC[C@](CC)(CCCC)OCCN 2276149132 YMPQSLJOTQZXJL-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCCCC[C@H](OCCCN)C(CC)(CC)CC 2276503422 AWDIZGUBHMUKHH-INIZCTEOSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1cccs1 2276706367 ZCCOYMDOZILZDG-HNNXBMFYSA-N 283.481 4.905 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@@H](C(C)C)O1 2278238123 ROAFFVQSAHBRRL-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 2279625934 CAUNEMCFPDYPFX-XBFCOCLRSA-N 288.353 4.917 30 10 CJEE C=C1CC([C@@H](CCC23CC4CC(CC(C4)C2)C3)NC)C1 2279882774 DJZNGZAOHVWLOZ-CHNSHAQVSA-N 273.464 4.537 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(CCC)cc1 2283484088 WDGRTCPGMXMPCD-APWZRJJASA-N 271.448 4.729 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1CC2(C1)CC21CCC1 2284108228 SUQUFMDYWGLADV-UHFFFAOYSA-N 270.416 4.522 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)CC(C)(C)C(F)(F)F 2284170066 NRQHRIMDQWRIOQ-CYBMUJFWSA-N 289.385 4.549 30 10 CJEE CC(C)(C)C#CC=CCNCC[C@H]1CCCCC12CC2 2284185098 MJXAMQXXDVTQHZ-QGZVFWFLSA-N 273.464 4.542 30 10 CJEE CCCCCC#CCOc1cc(C)c(Cl)cc1[C@@H](C)O 2286445636 VCRUVYHOIVXYON-CQSZACIVSA-N 294.822 4.664 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1c(F)ccc(OC)c1Cl 2286690986 PFJSNCUQCZFTTA-AAEUAGOBSA-N 299.817 4.741 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@]12CCCC[C@H]1CC2 2288972754 BSLAMVMJNIJOGO-GBESFXJTSA-N 275.480 4.909 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@H]1CCC[C@@H](CC)CC1 2289706803 QUYQPGNSWOYVON-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cccc(Cl)c1C 2289788733 SEIZZYCXXRVTQZ-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCN[C@H](CCC#CC1CCCC1)c1cccc(C)c1 2289860410 VCYZVJXCCBEFGL-LJQANCHMSA-N 269.432 4.619 30 10 CJEE CCCCCCCC[C@](CC)(OCCC(=O)O)C(F)F 2290637421 HQOYOYUPLNIEEM-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)C1(CC)CC1 2293581898 SVVKGDZGBJMRHD-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(CC1CC(C)(F)C1)OCCN 2293625121 HUHQMSSSFWBCRT-JCYILVPMSA-N 287.463 4.609 30 10 CJEE C=CCCCCCCC[C@](CC)(OCCN)[C@H]1C[C@@H]1C 2293785251 PPGKWSZPEISUEC-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C([C@@H](OCCN)C(C)(C)C1CCCCC1)C(C)(C)C 2293926449 DHBUTYDYHQFTNI-MRXNPFEDSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1C[C@@H]2C[C@H]2C1 2293928513 WVVRGCQXOMIPDT-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE C=C(C)CC[C@]1(OCCCN)C[C@@H](C)CC[C@@H]1C(C)C 2294088332 CWSIYGWJMXJQSY-KSZLIROESA-N 281.484 4.539 30 10 CJEE 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261.400 4.746 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCCCCCC[C@H]1N 2313526468 HWIOHGWVCUWDHZ-HZPDHXFCSA-N 267.482 4.681 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CC[C@@H]1C(C)(C)C 2320102059 CEDDZPYLHSNWNO-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC[C@@H](C)C1)NCC 2321144977 LZRSVNGVVCAAKC-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC(C)[C@H](CC#N)C(=O)c1cc(F)c(Cl)cc1Cl 2325228314 BWHORVGVNQLSDI-QMMMGPOBSA-N 288.149 4.501 30 10 CJEE CC(C)C[C@H](CS)COC[C@@H]1CC12CCCCC2 2328524845 BQCMHOGHPKLBFF-GJZGRUSLSA-N 270.482 4.566 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334306996 GKSWBNYZCVYSJY-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@H](NCCC)C(CC1CC1)CC1CC1 2335146998 NXENVEVNBRGAKT-SFHVURJKSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(F)cc(Cl)c1 2337110329 ZPBKJUYYHPMFNQ-HWWQOWPSSA-N 281.802 4.875 30 10 CJEE CCCCCCCCC[C@@](N)(CC)[C@@H]1CCCCO1 2337302617 XXYQHMCZIGPSID-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@@H]1NC[C@H](C)C[C@@H]1C(F)(F)F 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CCCCC#CC[C@H](NC)c1cccc(C(C)C)c1 2343603328 JKIQTZHPYASQDR-SFHVURJKSA-N 257.421 4.654 30 10 CJEE CCCCCCCC[C@H](O)CC1(C(C)(C)OC)CC1 2343722217 CRXVCYYBVQLTBF-HNNXBMFYSA-N 270.457 4.693 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ncc(C(C)(F)F)s1 2344339969 NLTFCNYOHFKLHX-LLVKDONJSA-N 288.407 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCCC2(CC2)C1)NC 2344341868 FQQINZMDJOEJRT-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(F)cc(F)c1 2344379290 XIWOTJUSZIQMFB-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1nc(C)cc2sccc12 2344456178 BKIUIKZYGHUGKA-JKSUJKDBSA-N 275.417 4.631 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CCCC(F)(F)C(F)(F)F 2344465654 ZEWJOGXZEVWHNA-QWRGUYRKSA-N 288.300 4.708 30 10 CJEE C#Cc1ncccc1N[C@@H](C)CCCCCCCC 2346036329 HCIIADZLMXQBCY-HNNXBMFYSA-N 258.409 4.614 30 10 CJEE CC(C)CC1(CN(C)C[C@](C)(CS)C(C)(C)C)CC1 2352172989 CNNZJNWFKGVEBN-MRXNPFEDSA-N 285.541 4.727 30 10 CJEE N#CC1(COc2ccc3ccccc3c2Cl)CCC1 2353162928 LAXVEVKHKKRUNE-UHFFFAOYSA-N 271.747 4.566 30 10 CJEE C[C@H](C[C@@H]1CCOC1)[C@]1(C#N)CCCC(C)(C)CC1 2353300042 YSWFUZJLQFBMTG-HLLBOEOZSA-N 263.425 4.549 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@@H]2COC[C@@H]21 2353884800 BXUMAQHGYQIVAZ-FGTMMUONSA-N 282.468 4.695 30 10 CJEE CCCCCCCCO[C@@H]1[C@H]2CCC[C@H]2C[C@H]1NCC 2354730400 SHZKDEJZBCCCEO-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@H]1CC)NCC 2358323582 QMYSZZMYBNSSLG-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE C=CC[C@@H](C)SC[C@H](NC)c1cccc2ccccc12 2360324886 TUXIHLSNAGNSAO-KDOFPFPSSA-N 285.456 4.798 30 10 CJEE O=C1C(c2ccccn2)=C(Cl)c2cccc3cccc1c23 3953407 WNQMEKSWBUDVSA-UHFFFAOYSA-N 291.737 4.538 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccc(Cl)cc2)c(C)c1 37935988 MEFLHQCTXJDFMT-INIZCTEOSA-N 284.790 4.942 30 10 CJEE CCn1cc(/C=N/c2cccc(C(C)=O)c2)c2ccccc21 40570707 IARZRQBICTVNNP-UDWIEESQSA-N 290.366 4.614 30 10 CJEE CCC[C@H](Nc1ccccc1C#N)c1cccs1 44388726 LZSVPJZOXSNRIR-AWEZNQCLSA-N 256.374 4.573 30 10 CJEE CCCCN(C(=O)C(C#N)(CCC)CCC)[C@@H](C)CC 44826733 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94582786 VMRJEIWQTHVLNK-CQSZACIVSA-N 266.450 4.699 30 10 CJEE CCC[C@@H](CS)COc1ccccc1C(C)C 94583165 PIPPOQJBKXUUJS-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(OC)c1 104192909 NLCHRBLJXICSKT-QGZVFWFLSA-N 263.425 4.706 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](CC)c1ccc(Br)s1 107597056 GQXQIKUUTXEVCZ-UTLUCORTSA-N 289.238 4.572 30 10 CJEE CCOc1ccc(C(C)(C)C)cc1[C@@H](C)CCC#N 107601022 QMIYHOANJSLOJV-ZDUSSCGKSA-N 259.393 4.790 30 10 CJEE CCCCCCC[C@@]1(CNCC)C[C@H]2CC[C@@H]1C2 110195449 RSCNUJCLINTRRB-BBWFWOEESA-N 251.458 4.763 30 10 CJEE C[C@H]1C[C@@H](Oc2cccc(Cl)c2C#N)CC(C)(C)C1 110261788 BJEWMKLIXPAUEX-NWDGAFQWSA-N 277.795 4.805 30 10 CJEE Cc1ccc(C)c(Oc2cc(Cl)ccc2C#N)c1C 110262300 KUAYGMBKILVGEA-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCC[C@H](Nc1ccc(Cl)cc1)C(=O)O 110320559 TWVJXMINIKASKR-AWEZNQCLSA-N 283.799 4.566 30 10 CJEE CCCCCCC[C@H](C)NCCOC1CCCCC1 111636108 JAYCVNREEPGPBY-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](C)OCC 113051688 POCZVNGPWIOGIY-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](CSC(C)C)NCCC 115806109 CSMWZZOKEHDOCB-HNNXBMFYSA-N 259.503 4.857 30 10 CJEE CC#CCC[C@@H](NCCC)C1(CC(C)C)CCCC1 124637983 ATXPMVSLUNNPIH-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCNc1cc([N+](=O)[O-])ccn1 129411118 UVEZUGDWMDUSHT-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE Cc1ccccc1[C@H](N[C@@H](C)c1ccc(C#N)s1)C(C)C 134932324 DRLVVWRQRBRYCP-KBXCAEBGSA-N 298.455 4.976 30 10 CJEE CSc1cccc(N2CCC(C(C)(C)C)CC2)c1C#N 136655879 VIFAJWHEFZBDRM-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE CCCCCCCCNc1ccc(Cl)cc1C(N)=S 160998127 CZBYZHATDPFGKE-UHFFFAOYSA-N 298.883 4.747 30 10 CJEE CCCCN(Cc1cc(F)cc(C#N)c1)c1ccccc1 163625100 KIVURGSFUXPJNU-UHFFFAOYSA-N 282.362 4.504 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1OCC[C@@H]1C 165078442 XSGNLGZZBSTWKY-GOEBONIOSA-N 254.414 4.511 30 10 CJEE CCCCCCC[C@@H](C)Nc1cnccc1Cl 166674524 CXSGJQAXERKSOF-GFCCVEGCSA-N 254.805 4.896 30 10 CJEE CCC(CC)COc1c(/C(C)=N/O)ccc2ccccc12 167482876 GAAIJLBIHHINBW-CPNJWEJPSA-N 285.387 4.853 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1cccs1 189909291 PHVUDBMWIBYETJ-UHFFFAOYSA-N 285.412 4.852 30 10 CJEE C=CCOc1ccccc1CN[C@H]1CCCC[C@H]1C(C)C 215030785 ADRRSGBARNNHIN-ROUUACIJSA-N 287.447 4.556 30 10 CJEE CCCCCCCC[C@H](O)c1ncc(Cl)s1 223159936 LBSSWXGRPHQSGB-JTQLQIEISA-N 261.818 4.581 30 10 CJEE COc1cc(Cl)ccc1Oc1ccc(Cl)cc1C#N 223448270 YOLQBNRYWRETKA-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1SCCS[C@@H]1C 228127761 FMHRFLUEKGMDTG-QLFBSQMISA-N 289.554 4.562 30 10 CJEE CC(C)C1CC(O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 232541826 VMVPSIGZZMFVRR-UHFFFAOYSA-N 277.452 4.530 30 10 CJEE CC(C)CCN(CCC(C)C)c1nccc(C#N)c1Cl 232553468 JGACOJZAOWWZDT-UHFFFAOYSA-N 293.842 4.505 30 10 CJEE CC(C)Cc1cccc(C(=O)C2=CC[C@@H](C)CC2)c1 232635832 BYUGTHXJRHFSMX-CQSZACIVSA-N 256.389 4.814 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(OC(F)(F)F)cc1 236538096 OTCDNUMJLHDOFT-AWEZNQCLSA-N 288.309 4.755 30 10 CJEE CC1(C)CCC[C@@H](c2ccccc2C2(C#N)CC2)C1 260677816 QANBXPASUNSOEE-CQSZACIVSA-N 253.389 4.926 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300615628 OGWORKJDNFUCBK-XREYTECCSA-N 275.480 4.783 30 10 CJEE C=CCCCCCCNCc1cccc(Cl)c1 310277395 GEVSOOGGWGKNEZ-UHFFFAOYSA-N 251.801 4.566 30 10 CJEE N#C[C@H](NC1CCCCC1)c1cc(Cl)sc1Cl 312577968 IIQCZWLMQLYDCV-JTQLQIEISA-N 289.231 4.542 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(CC#N)c1 313436146 LJZYVCSWRKBDMT-OLMNPRSZSA-N 270.420 4.625 30 10 CJEE CCCC1CCC(C=O)(Cc2cc(F)cc(F)c2)CC1 317287437 USLFVPILCVIZIB-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(C(F)(F)F)cc1 380412558 FEQZMCBLBHJYFA-GFCCVEGCSA-N 285.353 4.958 30 10 CJEE Cc1ncccc1CC1(C#N)CCC(C(C)(C)C)CC1 380839772 NWEDFVYLZJQLSJ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCC1(F)F)NN 381787398 AQMQTJOTCVKIAQ-HUUCEWRRSA-N 290.442 4.785 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(COC)o1 382449334 BCIIQYMWNUYRRE-MRXNPFEDSA-N 282.424 4.990 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCCC#N 385392843 SXWKGZARLLYRQR-OAGGEKHMSA-N 251.414 4.548 30 10 CJEE C=CC[C@H](CCCCC1CCOCC1)CNC(C)(C)C 386788716 MPUGXBVEKOEBFB-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 392894940 WSUGEYQOHJVWIP-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@@H](NCCC)C(C)(C)SC 392916038 HRRPURDHAWIRTH-CQSZACIVSA-N 257.487 4.633 30 10 CJEE CCCCCCCCCCCCN[C@@H](CC)[C@@H](C)O 395300620 KBGZTSPQHULGCX-SJORKVTESA-N 271.489 4.656 30 10 CJEE C[C@H]1CCC[C@@H](SCc2ccc(C#N)c(F)c2)C1 404744001 IXWFZLGSCOWTMS-SMDDNHRTSA-N 263.381 4.509 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)c(Cl)c1 404764215 UPHFOJOHZHAZDT-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1CC 505000874 LMFNGPRMWJHJPJ-MRXNPFEDSA-N 286.419 4.602 30 10 CJEE N#Cc1cc(F)c(F)cc1-c1c(Cl)cccc1Cl 514260964 AOYCJMIXCRMQDO-UHFFFAOYSA-N 284.092 4.810 30 10 CJEE N#CCc1c(F)cccc1-c1ccc(Cl)c(Cl)c1 514261955 YVFIJTSUOCXOMR-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE COc1ccccc1[C@H](C)SCc1ccc(C#N)cc1 573588793 YYLMPAZGACTKNF-ZDUSSCGKSA-N 283.396 4.561 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](CC)c1ccccc1)c1ccccc1 677510504 GEXIZEDJXZUYCV-APWZRJJASA-N 293.410 4.614 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc(C(C)(C)C)c1 686689010 DMAZQKMKUZYTAF-GOSISDBHSA-N 271.448 4.828 30 10 CJEE SCC1(CN2C[C@H]3CCCCC[C@@H]32)CCCCCC1 687975522 BKRAXNUWWZUFLS-CVEARBPZSA-N 281.509 4.521 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC1(F)F)NCC 691207779 SJUKXVFJUPJPHF-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 693701146 GVROICVRVWMNFJ-XHSDSOJGSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@H](NC)C1(C(F)F)CC1 697597312 XTQYJFSYKPHDIF-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE C[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CC(C)(C)C1 708295789 UPKOISFHACKPQY-VXGBXAGGSA-N 276.811 4.838 30 10 CJEE CCCCCCCCOC[C@@H](N)c1ccc(C)c(F)c1 708917683 UPFGXJIYVIYQLI-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1C1CC1 710015559 JTNCGCAGSYSLLW-GOEBONIOSA-N 274.795 4.592 30 10 CJEE CCC1CCC(C=O)(CC2(OC)CCCCC2)CC1 710331744 YUMPXAVEONTCBV-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCC[C@H](CN)C1 714090982 VBTXHBHEZVRFBV-KSZLIROESA-N 283.500 4.643 30 10 CJEE CC1(C)CCCCC[C@@H]1N[C@H](CC#N)c1ccccc1 718964814 FZLRZFJJHZHSQQ-SJORKVTESA-N 270.420 4.590 30 10 CJEE C=C1CCC(CN[C@@H]2CC[C@@H](C)c3ccccc32)CC1 724451791 SKXBJUQUSXGYHU-DNVCBOLYSA-N 269.432 4.961 30 10 CJEE C=C1CCC(C[C@H](Cc2cc(C)cc(C)c2)NC)CC1 724553734 NFIVJTMNGKPWHZ-LJQANCHMSA-N 271.448 4.570 30 10 CJEE C=C1CCC(C[C@@H](O)c2cscc2C(F)(F)F)CC1 724578227 WSPZGLONOHWFKB-CYBMUJFWSA-N 290.350 4.937 30 10 CJEE CCCCCOc1ccc(C#Cc2cccc(F)c2)cc1 725438827 NLAJFDMKWZMGMY-UHFFFAOYSA-N 282.358 4.795 30 10 CJEE C=CC[C@@H](OC(=O)[C@H](CC)CC(F)F)c1ccccc1 838862035 COEFDTRPUFMKLN-TZMCWYRMSA-N 282.330 4.528 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(NC2CCCCC2)cc1 1136470529 KXLUJRREOMIDLV-UHFFFAOYSA-N 286.419 4.726 30 10 CJEE C=CCCCN(CC)Cc1ccc(C)c(Br)c1 1176797871 GRUKZFMPCOJELK-UHFFFAOYSA-N 296.252 4.546 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@H](C)c2ccccc2)c1 1220334852 HWQKRRVYAYHEDS-OAHLLOKOSA-N 294.398 4.945 30 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C=CCN(CCc1ccco1)[C@H](C)c1ccc(Cl)cc1 1657971205 FLHWYOLXMCTKKZ-CQSZACIVSA-N 289.806 4.725 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc3sc(C)nc3c2)C1 1665724190 XAOVQPLUQXRTBV-OLZOCXBDSA-N 272.417 4.761 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@@H](C)C1CCCCCC1 1681456562 JJSGEUNHLDDIAG-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE CC(C)(C#N)CCCCN[C@]1(C)CCCC(C)(C)C1 1877830121 OBTJLUBAKMGWBF-QGZVFWFLSA-N 264.457 4.655 30 10 CJEE CC#CCCC[C@H](NCC)c1csc(C(F)(F)F)c1 1879651049 PSDVQGFTPZIRDW-LBPRGKRZSA-N 289.366 4.611 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@@H]2C[C@H]2C1 1882663817 JHZAYIZTYLYRSV-GUDVDZBRSA-N 269.432 4.501 30 10 CJEE CC#CCCCCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 1885367495 IYVFLXGBYLVZPH-QWHCGFSZSA-N 274.326 4.508 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)CCC(C)C 1886690933 KIPPRQKDXBPCEM-KRWDZBQOSA-N 294.439 4.518 30 10 CJEE CCCCCCCN(C)c1cccc(Cl)c1[C@@H](C)O 1887119847 OEXUESCTOBYABJ-CYBMUJFWSA-N 283.843 4.800 30 10 CJEE C=C(c1ccccc1)[C@@H](CS[C@@H](C)CC)NCCC 1888704650 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281.484 4.698 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CC1(C)CC(C)(C)C1)NC 2236610264 MAUBTHUAWPGJIK-JKSUJKDBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](NCC)c1ncccc1C1CC1 2237131468 YWPKIIBAYNCZTC-QGZVFWFLSA-N 274.452 4.970 30 10 CJEE CC(C)[C@@H]1CCSC(=N[C@H]2CCC[C@@H](C(C)(C)C)C2)N1 2238169972 KPZBXSDQFNYAKT-ILXRZTDVSA-N 296.524 4.698 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCCCC(F)F)NC 2238417016 UZUUFPOAXVRIBQ-LSDHHAIUSA-N 293.442 4.511 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2239166642 OVUHPIFIXKHMDC-UKRRQHHQSA-N 284.390 4.988 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CC(C)(C)CC[C@@H]1NCC 2239509764 HSQYGVNYQKLKNJ-IKGGRYGDSA-N 281.484 4.695 30 10 CJEE CCCCCCCCC[C@]1(CN[C@@H](C)CC)CCOC1 2240094273 FFRJSZXNXUTXME-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CCC(=O)c1cc(Br)cc(C(C)(C)C)c1 2245038929 CQUSCYSQRMNFQT-UHFFFAOYSA-N 281.193 4.505 30 10 CJEE C=CCCCSC[C@H](N)c1cc(Cl)ccc1Cl 2250014854 COYUCKJWEYLUOS-ZDUSSCGKSA-N 290.259 4.693 30 10 CJEE Cc1ccc(OCCCCCCCS)c(C)c1 2252622196 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CJEE C=C1CC(CC2CC(CC(C)(C)C)C2)(C(=O)OCC)C1 2290067639 WTTYNHNFLNHQRO-UHFFFAOYSA-N 278.436 4.738 30 10 CJEE CN(C[C@H](CS)C1CCC1)[C@@H]1CC(C)(C)CCC1(C)C 2290328396 BWSQORBCCPJCMZ-HZPDHXFCSA-N 297.552 4.869 30 10 CJEE C=CCCC[C@@H](OCCC(=O)O)C1(C)CCCCCC1 2290650268 ZPSVMFXWUWORDZ-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCC[C@@H]1CCC 2291920581 AECAAPDZRBSJDP-RDJZCZTQSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@H](CC1CCCCC1)OCC(=O)O 2292726713 KGASXGPMDVJXKW-INIZCTEOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCCN)C[C@H](C)CC[C@@H]1C 2292806021 QNKCLTGTVJNSJJ-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@H]1C[C@H]1C(C)(C)C 2292888828 PXHQDDBIBLSNBR-BBWFWOEESA-N 281.484 4.539 30 10 CJEE C=CCC[C@@H](C)C1(OCCCN)CC(CC(C)(C)C)C1 2293134000 PXBLSJSDIXPOGT-KLHKWILBSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](CC(F)(F)F)OCCCN 2293461086 SXVHUXUVDSEOAF-CQSZACIVSA-N 297.405 4.814 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)c1ccns1 2293528785 WODCKWBZYKQUMG-OAHLLOKOSA-N 298.496 4.690 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1C1CC1 2293723142 VZZJUXZOZRXTRC-KURKYZTESA-N 281.484 4.517 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCN)CC(C)(C)CCC1(C)C 2294214252 QNUNNPVQKKQXLX-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE CN[C@@H](C#Cc1ccccc1Cl)[C@@H](CC(C)C)C(C)C 2295218624 FPXDLTMLSQFUIP-WMZOPIPTSA-N 291.866 4.598 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C(C)(C)C(=O)O 2295530767 DHZBKASIPIULOA-HNNXBMFYSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCCN1C 2295678623 ZTWZABFZHSQNNH-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C)N1CCCC1 2295692454 WXAKXMDGYKOIQT-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C[C@H]1CC[C@H](CSC[C@]2(CS)CC2(F)F)CC1 2306944171 ZIKHIKBCJQZLGX-IJLUTSLNSA-N 280.449 4.501 30 10 CJEE C=CCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2317940469 JOUMTNBPCZSMLK-NSHDSACASA-N 287.856 4.807 30 10 CJEE C=C(C)CCCCc1c(Cl)cc(OC)cc1OC 2319554880 MVMGISYBEQVJIG-UHFFFAOYSA-N 268.784 4.646 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]1C(C)C)NCC 2321100279 ZRGVQWIHMYVRSF-QZWWFDLISA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ncc(Cl)s1 2321101211 ICUHHXMWKSDPBB-JSGCOSHPSA-N 286.872 4.830 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(F)(F)F)NCCC 2321141558 OWOBUUMSTUCKLD-STQMWFEESA-N 265.363 4.690 30 10 CJEE CCc1ccc(OC[C@@](C)(CS)C(C)(C)C)cc1 2327165392 JILKIRFPCNEXIW-INIZCTEOSA-N 266.450 4.610 30 10 CJEE C=CCSc1ccccc1NC[C@H]1CC[C@@H]2C[C@@H]2C1 2330225147 SWRDNLQTBAVXRO-ZNMIVQPWSA-N 273.445 4.813 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccc(F)cc1Cl 2335203419 LMWFOMKOTUUGIY-OAHLLOKOSA-N 299.842 4.733 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CCC1(F)F)NCCC 2335422853 XOEQWHZGHQLNCG-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C#CCC1CCN(Cc2ccc(Cl)c(Cl)c2C)CC1 2338671708 FYNKUQXINAJJRL-UHFFFAOYSA-N 296.241 4.537 30 10 CJEE COc1cc(F)c(CC2(C#N)CCCCC2)c(Cl)c1 2339183217 MSVDGHDZXIFQMJ-UHFFFAOYSA-N 281.758 4.504 30 10 CJEE C=CCN(Cc1cccc(C2CCC2)c1)C(C)(C)C 2343729527 KXVMSPYPPCEUSP-UHFFFAOYSA-N 257.421 4.741 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(F)cccc1F 2344375827 OMVBAWIGCCGXRM-HOTGVXAUSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1cc(Cl)ccc1F)NCCC 2344378807 MNIZBQRDRLQWEE-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)C(CC1CC1)CC1CC1 2344383413 SBOHGOXSGLKJNY-ZWKOTPCHSA-N 263.469 4.783 30 10 CJEE CC1=C(C)C[C@H](COCC2(CS)CC(C)(C)C2)CC1 2345011679 VBGFBEKNLGMWFH-OAHLLOKOSA-N 282.493 4.876 30 10 CJEE C=CC1(C[C@@H](C[C@H]2CCC[C@@H]3C[C@@H]32)NCCC)CCC1 2355641550 JVCUJFYXAWMECP-BRSBDYLESA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC[C@H]1C(F)F)NN 2359493212 LCSRJCJYUVUJIO-SOUVJXGZSA-N 290.442 4.640 30 10 CJEE CCCCCCC[C@H](O)[C@H](NCC)[C@@H](C)CC1CCC1 2360338199 UIHBFQUWVOLSRX-RYQLBKOJSA-N 283.500 4.512 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(Cl)s2)c1 35285602 SPLRETAREKCOFJ-SNVBAGLBSA-N 261.777 4.556 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c(F)c1 37306431 BTEOZCXGIYSUPB-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C=CCn1c(-c2cccc(Cl)c2)nc2ccccc21 40250370 LJGTYPSUDHCBII-UHFFFAOYSA-N 268.747 4.543 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 59083543 CUFASKMMOIVJOV-IXDOHACOSA-N 283.500 4.906 30 10 CJEE CCCCCC#Cc1ccc2cc(OC)ccc2c1 59101395 GYQMRVVQCWLZSP-UHFFFAOYSA-N 252.357 4.780 30 10 CJEE CCCCCCCN[C@H](C)Cc1ccc(Cl)cc1 59422918 LOXRLXSBYBAXQA-CQSZACIVSA-N 267.844 4.831 30 10 CJEE N#CC[C@H]1CCCC[C@@H]1c1ccc(Br)cc1 62670601 MHCZLPKPEFFFLL-RISCZKNCSA-N 278.193 4.637 30 10 CJEE CC(C)[C@](C#N)(/C=C/c1ccccc1)c1ccccc1 62723471 VXQGKMUEVUAJQR-JKIKYLSZSA-N 261.368 4.817 30 10 CJEE C=CCCCOc1ccc(Cl)cc1[C@@H](C)NCCC 71274706 CAFUCOHCMYYNKE-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCn1nc(C#N)cc1-c1ccc2ccccc2c1 76844480 NMHWNIYLIHRWEG-UHFFFAOYSA-N 289.382 4.765 30 10 CJEE Cc1ccc(Cl)cc1-c1cc(CC#N)c(C)s1 77094188 XEHFGFPNTMXWFW-UHFFFAOYSA-N 261.777 4.751 30 10 CJEE CCC[C@@H]1CCCN(C(=O)C(C#N)(CCC)CCC)CC1 83729407 KHOWTHBNTLNYLI-MRXNPFEDSA-N 292.467 4.525 30 10 CJEE CC1(C)CCCC[C@H]1Nc1ccc(Cl)c(C#N)c1 94276491 ZUGWOZOCHNONHI-CQSZACIVSA-N 262.784 4.592 30 10 CJEE CCC[C@H](CS)COc1cc(C)c(Cl)c(C)c1 94584453 CUUGLJSVWKXWBJ-LBPRGKRZSA-N 272.841 4.682 30 10 CJEE C=C(C)CC[C@@H](CCc1cccc(C)c1)NCCC 97419668 MDDGZLNLSFCLAQ-SFHVURJKSA-N 259.437 4.652 30 10 CJEE CCCCCCCOc1ccc(NC(=O)C2CCC2)cc1 100454963 ARNWLBKXYKBQDR-UHFFFAOYSA-N 289.419 4.774 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)C1CCCC1 103969653 BNPSTECVMXLIDM-ZDUSSCGKSA-N 261.434 4.955 30 10 CJEE CCCCCCCCC[C@]1(CN)C[C@@H]2CC[C@@H]1C2 103996309 OWQABADMGMIJOR-BRWVUGGUSA-N 251.458 4.892 30 10 CJEE C=C[C@]1(C)CC[C@@]2(C)c3ccc(O)c(C)c3CC[C@H]2C1 106896921 IWKVPNDFCCPGEV-GDIGMMSISA-N 270.416 4.897 30 10 CJEE biogenic CC#C[C@H](C)Cc1c(OCCC)cc(C)c(Cl)c1C 107624964 ZWESUGBYWDYEJX-LBPRGKRZSA-N 278.823 4.948 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(OC)c(OC)cc1Cl 107677479 HOHLWBLGOUQHIP-RYUDHWBXSA-N 280.795 4.510 30 10 CJEE CCCCCCCCCCCCCC(=O)COC 109655589 AVBCRLUEOYHUKA-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1cccc(Cl)c1 109779986 WHZNLHCSNAFQEZ-INIZCTEOSA-N 283.843 4.863 30 10 CJEE CCCCCCCCO[C@@H]1CCCC[C@H]1NCCC 110070203 GVQLTJGIZWSUNO-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCN1C[C@H](C2CC2)NCC1(CC)CC 114349571 KBGSXGOKKUSVPE-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCCc1nc([C@H](N)CC)no1 115861800 LKIAAQVCMZECSX-CQSZACIVSA-N 281.444 4.553 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@H](C)[C@H](C)C1 123417891 VWFFWNMVWNMEKK-HZMVEIRTSA-N 268.489 4.641 30 10 CJEE CCC(C)(C)c1ccc(Oc2cc(C#N)ccc2N)cc1 124517328 UWQPXLVPJJTFQX-UHFFFAOYSA-N 280.371 4.620 30 10 CJEE CCCCCCCCOCc1ccc([C@H](C)CNC)cc1 125765563 KRFWBUTZFMNKFD-QGZVFWFLSA-N 291.479 4.887 30 10 CJEE CC[C@@](O)(c1ccccc1F)C1(C#N)CCC(C)(C)CC1 128826290 ZYEZYIPRYROAHB-GOSISDBHSA-N 289.394 4.533 30 10 CJEE CCCCCCCCCCNC(=O)c1cccc(C)c1O 129371251 JZORLASWXDRGGI-UHFFFAOYSA-N 291.435 4.571 30 10 CJEE CC1(C)CCc2ccccc2[C@@H]1Nc1ccc(C#N)cc1 132600418 QTINADQLDYMQTR-SFHVURJKSA-N 276.383 4.684 30 10 CJEE CCCCCCCCCOc1cc(F)ccc1[N+](=O)[O-] 133572308 ILHROTXOBUBYNR-UHFFFAOYSA-N 283.343 4.863 30 10 CJEE CCCCCCCCCCNc1nccc(C)c1C(=O)O 135242889 QFRCSYVVEREXAO-UHFFFAOYSA-N 292.423 4.641 30 10 CJEE CCOc1ccccc1Oc1cccc(SCC)c1C#N 136703610 VODJZJAGZDEEBB-UHFFFAOYSA-N 299.395 4.861 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1Cc2ccccc2S1 139680852 KJITWMJTOWVRET-NVXWUHKLSA-N 277.477 4.652 30 10 CJEE CCCCCCCC[C@H](NCC)c1cccnc1C 140397525 ZYLTZLPVLAPJMQ-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE C#Cc1c2ccccc2c(Br)c2ccccc12 148903387 ODQVJPSJCRGFGR-UHFFFAOYSA-N 281.152 4.737 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC(C)(C)C[C@@H]1C 156060056 SFLRVGUBACBKMV-WMLDXEAASA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCCC[C@@H](CCN(C)C)NC 158698332 FXMFZJWTJRKXSH-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=CCC[C@H](NCc1csc(CC)n1)c1ccccc1 158849119 FVBGNSKWLSUXAA-INIZCTEOSA-N 286.444 4.503 30 10 CJEE N#CC1(CCOc2ccccc2)CCCCCCC1 158868484 SXAPDWBYXAPYEE-UHFFFAOYSA-N 257.377 4.710 30 10 CJEE CCCCCCCCCCNCc1ccc(C#N)s1 161130949 QAKHXQHADFOFHS-UHFFFAOYSA-N 278.465 4.850 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCCCO1 162340283 KWQJDUYGDSPIOD-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](OC)C1CCCCC1 162982806 HMDRRFFXWQNSKU-SJORKVTESA-N 270.457 4.693 30 10 CJEE CCCCCCCCNCC[C@H](C)c1ccc(N)cc1 164425660 YTWMATVAAVQYGP-INIZCTEOSA-N 276.468 4.713 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccncc1C 165066258 ILKJSVUENCVFQV-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCCCCCCOc1c(C)cccc1C[C@@H](C)N 166116248 WKZDPKFQBSGADW-MRXNPFEDSA-N 277.452 4.624 30 10 CJEE CCCCCCCCCCCC(=O)COCCC 168224295 JTIWYOLWQDULHY-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE Cc1ccc(C(=O)/C=C\Oc2cccc3ccccc23)cc1 209923259 RAZRRXCOBYVAEA-YPKPFQOOSA-N 288.346 4.924 30 10 CJEE Cc1ccc(OCC2(CS)CCCCCC2)cc1F 226445018 SIAJNFPQDXLADK-UHFFFAOYSA-N 282.424 4.783 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079779 DYEDUUOOJRVYMZ-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCC[C@H](O)c1ncccc1Cl 232926137 BGMVXNPIMRHRDJ-ZDUSSCGKSA-N 255.789 4.519 30 10 CJEE CCCCCCCCCCN(CC)C[C@H]1CCCCN1 232929183 HTHOSBLZDSUTIK-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCNCCN1CCCCCC1 232944856 CFUNOWILJFOADT-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE N#Cc1ccc(NCc2cc3ccccc3o2)c(Cl)c1 236030707 MZPYRTPXLJQAAN-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1C(=O)O 300256464 GQGABRSMXDTEAO-ARFHVFGLSA-N 266.425 4.896 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1C[C@H]1c1ccccc1 300278121 MWKQPUQOWVWKCX-FHWLQOOXSA-N 271.448 4.905 30 10 CJEE C=CCCCN[C@@H](C)c1cc(Cl)ccc1Cl 304217130 GOQCGYOQVQCARJ-JTQLQIEISA-N 258.192 4.610 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(F)c1 312275114 OEXAIMAQJFPUJQ-MRXNPFEDSA-N 295.829 4.959 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2cccc3ccccc23)C1 316680874 FHNVKEDHTKMGGV-BEFAXECRSA-N 266.384 4.778 30 10 CJEE CCCCCCCCCCCCN(CCN)[C@@H](C)CC 380299674 SIYQYKUQBDOYCH-SFHVURJKSA-N 284.532 4.967 30 10 CJEE Cc1cc2ccccc2nc1[C@@]1(C#N)CCC[C@@H](C)C1 380571652 IBFQUVZZGZUZDU-ACJLOTCBSA-N 264.372 4.515 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)C1 380995402 HSOQNJQFQFGLDW-RSJGLCBASA-N 275.436 4.834 30 10 CJEE C=CC(C)(C)CN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 384814628 AQVWYEZAMKMLAK-KBAYOESNSA-N 271.448 4.761 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)CCC2CCCCC2)C1 395094591 DHKAVQPADFUWGQ-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE C[C@H](NCCCCCC#N)c1ccc(Cl)cc1Cl 395406034 ZCCMBSDAOOUDKS-NSHDSACASA-N 285.218 4.728 30 10 CJEE CC[C@@H](C)N(CC[C@H](C)CCS)Cc1ccccc1 395714223 RIYMKERXHLJYGY-JKSUJKDBSA-N 279.493 4.633 30 10 CJEE CCCCCCCCCCCC[C@H](O)Cn1cccn1 396060598 HDPDLVFKVKZWIC-KRWDZBQOSA-N 280.456 4.555 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCCC1)c1cccc(Cl)c1 397209605 WCFRFMYOZDOQFR-CZUORRHYSA-N 290.838 4.711 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1nc2ccccc2s1 397553976 IFOXFOZRCRAPKX-JTQLQIEISA-N 276.430 4.574 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)c(C)cc1Cl 466861135 AOWOFEMEELUPBF-SNVBAGLBSA-N 286.202 4.843 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCC(F)F 684493760 ZJOKKJLMRQIOQR-UHFFFAOYSA-N 281.346 4.522 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@@H](C)O[C@@H]1C 686454081 AKZYACMYWHZCIU-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1C[C@@H]1OCC 689920442 BPJNKZTYHPKKKJ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE Cc1cc(C#N)cnc1Sc1cc(Cl)cc(Cl)c1 690409252 SHARLYAJAXOQON-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CC[C@@H]1CCCCC[C@]1(C#N)Nc1ccccc1C 691072824 DIOIBBMVKBNPQG-NVXWUHKLSA-N 256.393 4.660 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc(CC)nc(Cl)c1C 692241805 LIMNCQCMAJAGSY-CHWSQXEVSA-N 293.842 4.548 30 10 CJEE CCCCCCCC[C@H](NC)C1C[C@H]2[C@H](C1)C2(F)F 693392223 LIIVUIBRJGXUQP-KKUMJFAQSA-N 273.411 4.616 30 10 CJEE C[C@H](CC(C)(C)C#N)N(C)Cc1cc2cscc2s1 693879683 IZKBHBPRQAFZMR-LLVKDONJSA-N 292.473 4.723 30 10 CJEE CC(C)c1ccc(SC[C@H](CS)C2CC2)cc1 702041595 VDEPBLWIRAAHQZ-AWEZNQCLSA-N 266.475 4.858 30 10 CJEE C#C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C(C)(C)C 702267863 UGHLVTBIJVUUMX-HZMBPMFUSA-N 284.230 4.692 30 10 CJEE CCCCCCC[C@H](O)c1cc2ccccc2cc1N 702384932 WYJRBVROICRUTR-SFHVURJKSA-N 271.404 4.816 30 10 CJEE CCCCCCCn1c(S)nc2c(Cl)cccc21 703732997 IAWQAOGBPGBMGZ-UHFFFAOYSA-N 282.840 4.949 30 10 CJEE CC1CCC(C=O)(CC2(c3ccccc3)CC2)CC1 704044503 SKZGJZRPDRUPPM-UHFFFAOYSA-N 256.389 4.504 30 10 CJEE CCCCCCCC[C@@H](Cc1sc(C)nc1C)NC 707912023 CANIJKQOLYSSBU-HNNXBMFYSA-N 282.497 4.641 30 10 CJEE C=CC(C)(C)COC[C@@H](NCCC)c1ccc(Cl)cc1 709526681 AQZCDECXFRAROX-MRXNPFEDSA-N 295.854 4.610 30 10 CJEE C=CCC(C)(C)COC[C@@H](NCC)c1ccc(Cl)cc1 709580020 ITCGYKWNSRFXGZ-MRXNPFEDSA-N 295.854 4.610 30 10 CJEE CCCCCCCCCN[C@H]1C[C@@H]2CCCC[C@@H]21 712512121 UBBZVXZDVNMECC-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccccc1OCc1ccccc1 715724201 UIRWWVYJSWWGBY-UZLBHIALSA-N 295.426 4.738 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C1(C)CCCC1 720360002 ZNWOTAPOQFTZSR-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723625793 OVJUCLGERDPBEU-MGPQQGTHSA-N 288.822 4.982 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@H](C)C1 724307834 VRJCRGNQYSVCKQ-HZMVEIRTSA-N 269.473 4.529 30 10 CJEE Oc1ccc2ccccc2c1/C=N/[C@H]1CCCC(F)(F)C1 767690580 REMMMHAXOZMYMV-HSWQHBDASA-N 289.325 4.542 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1cc(C)ccc1C)C(C)C 1125603797 YGZSSVDZBBSTLG-MRXNPFEDSA-N 273.420 4.647 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H](C)CCCC)c1ccccc1 1127383521 DEJOCQYQZKCBDR-DOTOQJQBSA-N 273.420 4.636 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(F)c2ccccc12 1134514683 FRACYYFEGKYSIS-AWEZNQCLSA-N 297.373 4.550 30 10 CJEE C#CCCCCCCN1c2ccccc2S[C@@H](C)[C@H]1C 1167810348 CKTCUULYYHIOJF-CVEARBPZSA-N 287.472 4.959 30 10 CJEE C=CCCC(C)(C)CNC/C(C)=C/c1ccccc1 1179325423 YODRRBSPHTWFHC-DTQAZKPQSA-N 257.421 4.672 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@H]1CCC[C@H]1CCCC 1226528924 WJWOMXZPUMIKRL-CVEARBPZSA-N 294.483 4.637 30 10 CJEE CCCCC[C@H](CC)N[C@@H](C)c1cccc(C#N)c1 1258427921 JUHNCHUUBBCHLF-YOEHRIQHSA-N 258.409 4.568 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 1265196247 CEXHDAXXEHKDCU-INIZCTEOSA-N 279.468 4.700 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)CCC1 1292372949 MZSMURWOQFEKOR-INIZCTEOSA-N 299.458 4.605 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1c(C)cc(C)cc1C 1456310943 XXWXSPJLLPBTET-UHFFFAOYSA-N 299.458 4.820 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H]2CCCC[C@@H]2CC)CCCC1(C)C 1459684725 XEWSFRGPLXFZRK-ULQDDVLXSA-N 291.479 4.796 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(CCC)cc1 1460411551 RBCPVFZMINZQOT-MOPGFXCFSA-N 271.448 4.864 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2ccc3ccccc3c2)C1 1461162876 XZLLLZFRFQDVCY-OXQOHEQNSA-N 279.427 4.717 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCCc2ccc(Cl)cc2)C1 1461182123 SXTGRDPWLVWDRH-WBVHZDCISA-N 277.839 4.607 30 10 CJEE C=CC(C)(C)NC(=O)Nc1ccc(-c2ccccc2)cc1F 1465156967 LNKXZVYZAMBYLN-UHFFFAOYSA-N 298.361 4.579 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cc(C)ccc1Cl 1465897559 NQHLTSIAFDZKPR-LBPRGKRZSA-N 280.799 4.515 30 10 CJEE C=CCC[C@@H](CCC)Nc1cnc2c(c1)CCCC2 1474438241 FDHDJKMZXRULPD-OAHLLOKOSA-N 258.409 4.507 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)NCC(C)(C)CCCCC)C1 1478143675 NUPUHZALQKJSPD-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C=CCCC1(CNC(=O)c2c(C)cc(C)cc2C)CCCC1 1528534966 RMKCNEIBLORABI-UHFFFAOYSA-N 299.458 4.868 30 10 CJEE C=C(C)CCN1CCC[C@@H]1c1cccc2ccccc12 1559497869 NVUXQASFTCEOMG-LJQANCHMSA-N 265.400 4.943 30 10 CJEE C=CCCCC(=O)OCc1ccc(SC(C)C)cc1 1584561069 XSBZYPNQBOFWLZ-UHFFFAOYSA-N 278.417 4.587 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCC(C)(C)C 1586139731 JMGDNBHUUGCVQV-JKSUJKDBSA-N 279.468 4.844 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCCc3c(C)cccc32)CCCC1 1588091726 JZROMLQJHBLGIL-GOSISDBHSA-N 297.442 4.625 30 10 CJEE CCc1ccc(C#Cc2ccc(CC(C)C)cc2)cc1 1614826932 HCXRXYWZYKRDSE-UHFFFAOYSA-N 262.396 4.847 30 10 CJEE C=CCCCN(Cc1ccccc1F)c1ccc(F)cc1 1616020845 VZHJXRQWORWLBG-UHFFFAOYSA-N 287.353 4.938 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H](C)CC(C)C 1617694208 PQXRVVIZDHACKS-KRWDZBQOSA-N 259.437 4.747 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC[C@@H](C)c1ccccc1 1625512821 PLGXPDRPFHNLBG-MRXNPFEDSA-N 287.447 4.679 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1 1627395317 VHMKOACDIACINB-PKOBYXMFSA-N 295.357 4.543 30 10 CJEE CCCCCCCCN1CCn2c(Cl)ccc2[C@H]1C 1645150003 RRYWPBMDZDXDRV-CQSZACIVSA-N 282.859 4.879 30 10 CJEE C#Cc1cccc(N(CC)CC[C@@H]2CCC[C@@H](C)C2)c1 1653762621 YAVIYCFBWHGMJM-AEFFLSMTSA-N 269.432 4.711 30 10 CJEE C#CCC1(NCc2ccc(-c3ccc(Cl)cc3)o2)CCC1 1658652130 QDFCIKWHOPIHOD-UHFFFAOYSA-N 299.801 4.636 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)C(C)(C)C 1659346118 DKHHCUZHEBRLCN-BBWFWOEESA-N 289.850 4.614 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1NCC 1659666931 WLRNFYPCAKTDPE-UHFFFAOYSA-N 294.442 4.697 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)CC1CCCC1 1664987945 RMJDQWHCTCENGY-QFBILLFUSA-N 271.448 4.732 30 10 CJEE C=C(C)c1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 1665852821 GSJJCUSNRXUBTB-IEBWSBKVSA-N 263.384 4.935 30 10 CJEE CCCCC[C@](O)(CC)C1(C#N)CCC2(CC2)CC1 1879224249 XWFUCDMVITVCSS-QGZVFWFLSA-N 263.425 4.572 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H](F)C1CCCC1 1882091959 VSRASZDYFKBOBP-GOSISDBHSA-N 275.411 4.593 30 10 CJEE CCCCCCCCN1[C@H](C(F)(F)F)[C@H]2CC[C@@H]1C2 1883320210 QOVPLOUOFMDJEE-MJBXVCDLSA-N 277.374 4.762 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1(CCC)CCC1 1885236695 LOHKLLNCRAFZEG-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H]1CCCCC[C@@H]1C#N 1886643709 YSKJEFQOZNKIPA-MOPGFXCFSA-N 282.431 4.537 30 10 CJEE C=CC1(C[C@@](C)(N)c2cc3ccccc3s2)CCC1 1886668536 QXGKZRYQGQDMLH-MRXNPFEDSA-N 271.429 4.822 30 10 CJEE C#CC[C@@H](CC(=O)C(C)(C)C1CCCCC1)C1CC1 1887386271 HIOMKDKNJXTPBQ-HNNXBMFYSA-N 260.421 4.602 30 10 CJEE C=C(c1ccccc1)[C@H]1CCCCC[C@@H]1NCCC 1888682069 KWOKXMXBRXYDKR-MSOLQXFVSA-N 257.421 4.648 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1C(C)=O 1899395811 UHNKECZCYNWHNL-VIFPVBQESA-N 254.782 4.599 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(Cl)c(Cl)s1 1901001720 ZDZGFIHWTDLFER-LLVKDONJSA-N 277.216 4.857 30 10 CJEE C=CC[C@H](C)[C@H](N)c1c(Cl)cc(C)cc1Cl 1905164593 FTPFMAHTXHIIHI-ZANVPECISA-N 258.192 4.514 30 10 CJEE CN(CCCCCS)[C@H]1CCC2(CCCCC2)C1 1916121679 DEKXKDREXBVVOL-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE N#Cc1cnc(N[C@@H]2CCCC3(CCCC3)C2)c(Cl)c1 1917236838 XANJAQSAXTVZND-CYBMUJFWSA-N 289.810 4.522 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cncn1CC 1918729770 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C=CCC[C@@H](C)[C@](C)(N)c1ccc(Cl)c(Cl)c1 1996481253 LXZMBGCOYYBVBL-YGRLFVJLSA-N 272.219 4.770 30 10 CJEE C=C(C(C)(C)C)[C@](C)(O)c1ccc(C)c(Br)c1 1998858380 ZNPVTWMKOQGDIV-HNNXBMFYSA-N 297.236 4.567 30 10 CJEE C=C(CC)C[C@H](N)c1cc(-c2cccs2)cs1 2000269764 NHGWNJIDIAINQC-LBPRGKRZSA-N 263.431 4.833 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc(Br)c2)CC1 2010784762 PVIQIJAAXITQTM-NSHDSACASA-N 293.204 4.768 30 10 CJEE C=CC[C@H]1CCCN1Cc1ccc(Cl)cc1Cl 2019236015 JKQTWLYHVHTZJM-ZDUSSCGKSA-N 270.203 4.534 30 10 CJEE CCCCCCCCC[C@@H]1N[C@@H](CC)[C@@H](CC)O1 2028017405 ZMTJNSJZFVWUIL-ARFHVFGLSA-N 255.446 4.630 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(C2CC2)CC1 2028104548 DUJMNIKUSZYFMZ-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCCCCCC(=O)CC1CC2(C1)CC2(F)F 2036759370 XURXHWVWOBAPQP-UHFFFAOYSA-N 258.352 4.742 30 10 CJEE C=CCC[C@@H](C)[C@@H](CC(C)(C)C1CC1)NCCC 2040530618 RXZNYUOHUVJSOU-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@@H](O)C2CC(C(C)(C)C)C2)CC1 2043036008 SOSXCHUEOOMYGL-UYSNPLJNSA-N 250.426 4.556 30 10 CJEE CCC[C@@](C)(C#N)C1(O)CCCCCCCCC1 2045991141 WYVYDEAHUDWPAW-HNNXBMFYSA-N 251.414 4.572 30 10 CJEE CCCCCCCCCC[C@@H](N)Cc1nccs1 2046031077 CJKGDJWSYXZACU-CQSZACIVSA-N 268.470 4.544 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CC(C)(C)CO1 2047520765 ISPQITXVKLCWAB-OAHLLOKOSA-N 254.414 4.511 30 10 CJEE CCCCCCCC[C@@H](O)[C@]1(C)CCCC1(F)F 2048983251 BHBYVYUEVXLGPZ-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE CC(C)C1CCC(c2ccc(C#N)c(Cl)n2)CC1 2049420374 OJLXBJOMAUOTTN-UHFFFAOYSA-N 262.784 4.536 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CCCC2(F)F)C1 2049509022 PNVYAQCNWOAXNF-GXTWGEPZSA-N 255.352 4.922 30 10 CJEE CC1(C)CCC[C@](C#N)(Cc2ccc(Cl)cc2)C1 2049513694 BOEUHNAINRYDKG-INIZCTEOSA-N 261.796 4.993 30 10 CJEE CCCCCCCCC[C@@H]1[C@H]2CCN[C@@H]2C1(C)C 2055761251 MBXOFEZSPSXPEH-OAGGEKHMSA-N 251.458 4.761 30 10 CJEE C=CCCCC[C@@H](NC)[C@H]1CCCc2sccc21 2059113655 BTTIUXNFIPUZHT-DZGCQCFKSA-N 263.450 4.502 30 10 CJEE C=C(F)C[C@H](NCCC)c1csc2c1CCCC2 2062213941 IURJWWPBUMMIFH-AWEZNQCLSA-N 267.413 4.541 30 10 CJEE C#Cc1cc(C2CCC2)nn1[C@@H](CC)c1ccc(C)cc1C 2070122501 UHGJXFFTIOKECE-FQEVSTJZSA-N 292.426 4.748 30 10 CJEE SCCCCCN1CCC[C@H]1C1CCCCCC1 2071972339 YJOQVQMLOITZCS-INIZCTEOSA-N 269.498 4.521 30 10 CJEE C=CCCCCC[C@H](C[C@H](C)P(C)(C)=O)NCC 2072382575 BOVMPHUTYBGMQT-LSDHHAIUSA-N 273.401 4.502 30 10 CJEE CCCCCCCCCN(C)CCc1ccsc1 2074944396 IMRWEWJXCAFWLG-UHFFFAOYSA-N 267.482 4.973 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)CCC[C@H]1CC1(F)F 2075462770 GUKHMSYRWDVABM-JSGCOSHPSA-N 258.352 4.597 30 10 CJEE C=CCCCCC[C@H]1CCCC(C)(C)[C@@H]1NCC 2076401513 LZAOMXVSOSCMKW-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCC#CC[C@@](N)(c1cccs1)C(C)C 2083440663 VMLHAXRTGHSKMA-INIZCTEOSA-N 263.450 4.532 30 10 CJEE C=CCCCCCC[C@@H]1CC[C@H](C)[C@H](NCC)C1 2085848304 YNFOZRQUFRMPHQ-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCNC1(C(F)F)CCCCC1 2085852779 VKSWLLMGXYXHAY-UHFFFAOYSA-N 259.384 4.681 30 10 CJEE C=CCCCCCC[C@@H]1C[C@@H]2CCCC[C@@H]2[C@@H]1O 2085852886 WXTHRDAJRBOBLR-VVLHAWIVSA-N 250.426 4.700 30 10 CJEE 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4.583 30 10 CJEE C=CCC[C@]1(C)C[C@H](NCCC)c2ccc(Cl)cc2O1 2203354571 SERUMEXOKNJCRN-DOTOQJQBSA-N 293.838 4.888 30 10 CJEE CCCCC#CCC1(CNC(C)C)CCC2(CC2)CC1 2203810760 QMJOLRGWGMUEME-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@]1(CNC2CC2)CCC[C@H](C)C1 2203826184 FXSGLHCPKMERSW-HKUYNNGSSA-N 275.480 4.909 30 10 CJEE C#C[C@H](CCCCCCCCCCCCCCC)NN 2203883552 CMWSOSLAOQNARH-GOSISDBHSA-N 280.500 4.933 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC2(C1)CC1(CCC1)C2 2204098899 YLVWSYWBSMPJFC-NVXWUHKLSA-N 273.464 4.824 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cccc2c1CCC2 2206885100 KORQQOFSWYBQNB-LJQANCHMSA-N 271.448 4.962 30 10 CJEE C=CCCCCCCOc1cccc(Cl)c1CNCC 2206895130 QSJHSAVMSDFOEC-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCCCCC[C@H](NCC)c1cc(C)cc(C)n1 2206903235 QJLUGLHFZSKODU-KRWDZBQOSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCCCN1C[C@H](C)OCC[C@H]1C 2207377312 MWIRPFRYGBFXAT-MSOLQXFVSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)C(O)(CC)CC 2207404131 MIBMKIICHAPTBX-QGZVFWFLSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCC[C@H](NC)c1cnc(C)o1 2207414835 QDZBRUZQCJGMKW-INIZCTEOSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CC[C@@H](O)CC1 2207427947 SFZMQTNPTGREGC-HDICACEKSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCC[C@H](N)C[C@@H]1CC(C)(C)CO1 2207428403 XTFPHKBVCKYHLV-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H](N)[C@@H](C)CC 2207428731 BOLSMXQXDRYQGI-OKZBNKHCSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](C)[C@@H]1CCCCO1 2207429104 GASOUNLECNXJFX-BZSNNMDCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@H](C[C@@H]1OCC[C@@H]1C)NC 2207430301 SQRDTHLRPRQJFV-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@H]1CC(C)=O 2207435635 JWQAKYDSSIBWMG-GOSISDBHSA-N 279.468 4.737 30 10 CJEE CCCCCCCC[C@@H](O)[C@@]1(C#N)CCCC(F)(F)C1 2207460370 ZGLAWOGEQHGKEA-CABCVRRESA-N 287.394 4.817 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1cc(Cl)ccc1Cl 2210487641 ANJCXPNSEIFBQR-JOYOIKCWSA-N 256.176 4.893 30 10 CJEE C=CC[C@](C)(NCCCCCCC1CC1)C(F)F 2218729577 BTYVOMFJCGUQPN-HNNXBMFYSA-N 259.384 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C=CCCCCCCCCOCC[C@@H]1CCC[C@H]1NC 2234048022 YKTCZGVANVESPS-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccc(OC)cc1 2235531788 CYNXOCQBYJBIDV-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]1(O)CCCCC[C@H]1C 2235532797 NYAMWZRVKHUGDV-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1(C(C)(C)C)CCC1 2235541189 FNQNLNWKEUGSGY-MRXNPFEDSA-N 280.500 4.951 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2F)C1 2238175759 XMVBPGAMBBFNAZ-CXAGYDPISA-N 274.383 4.736 30 10 CJEE N#Cc1cccc(OC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 2238907020 WVNUFMDRJKPKQX-BRWVUGGUSA-N 269.388 4.544 30 10 CJEE CCCCCCCCCOC[C@H](N)C1CC2(CCC2)C1 2239445080 FQSVCUABLHOVMF-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCCCOc1ccc(N)c(C)n1 2239554849 PINNQJWPAGGKDM-UHFFFAOYSA-N 278.440 4.882 30 10 CJEE C=C[C@@](C)(CNC1CCC1)Cc1cc2ccccc2s1 2240119429 UBTRGTGQUWQCOR-GOSISDBHSA-N 285.456 4.778 30 10 CJEE C=CCC[C@H](C)Oc1cc(C)ccc1CN[C@H](C)CC 2240216685 ZROHLCLDCNFRKZ-CVEARBPZSA-N 275.436 4.617 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC(C)(C)C[C@@H]1C 2240562676 NUVXWIIVUJXNAI-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ncnc2cscc12 2240614638 SMPKBBZDVRHRGC-MRXNPFEDSA-N 291.464 4.616 30 10 CJEE C=CCCCCCCC[C@H](N)CCN(C)CCCCC 2240937175 RDZCWBOVMXHSFU-SFHVURJKSA-N 282.516 4.743 30 10 CJEE Cc1cc(Cl)c(Cl)cc1N[C@@H](CC#N)C(C)C 2247669703 GWWOWOGJDNQMOT-LBPRGKRZSA-N 271.191 4.652 30 10 CJEE C=CCC[C@@H](C)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2249735145 YISZVPJGRJGNIZ-YMTOWFKASA-N 272.219 4.904 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(C)cc1Cl 2250165159 NBYURVWTVBUILS-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE CCC[C@H](CC)[C@H](C#N)Nc1cccc(Br)c1 2250366849 NEPBCCMEMYNSJQ-FZMZJTMJSA-N 295.224 4.579 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(C(F)(F)F)s1 2252766302 OSTYFWLYSMTHSJ-MRVPVSSYSA-N 283.746 4.560 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(Cl)cc1CC 2256571305 GIIMXMZHIXNNFI-MRXNPFEDSA-N 265.828 4.909 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCS[C@@H](C)C1 2259163255 FTIXOEYFBDVDFV-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CC[C@H](CC)CC1 2259193230 BQQOWHZUSACPNT-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)CCC[C@H](CC)C1 2259236893 ICFJGWGDZYYBIP-HOCLYGCPSA-N 252.398 4.794 30 10 CJEE C=C(C)CCCC[C@@H](NC)C(C)(C)C1CCCC1 2259237573 NYAQAYYEMHLAHP-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CCSC1)NCCC 2259238412 SPVAKSXAOUAATO-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccsc1Cl 2261121790 AKAYQANXXTZECU-CQSZACIVSA-N 281.852 4.636 30 10 CJEE C=CC1(CC(=O)c2ccc(C(F)(F)F)s2)CCC1 2263436520 QTWZYJRFSQZJLK-UHFFFAOYSA-N 274.307 4.696 30 10 CJEE CCCCCCCCC[C@](C)(N)C1C[C@@H]2C[C@H]2C1 2263660506 IJEBNPLTUWOPBC-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1CF 2263661121 LWZKBYFNGYKBAL-XHSDSOJGSA-N 258.421 4.874 30 10 CJEE N#C[C@@]1(C[C@@H]2CC(F)(F)C23CCC3)CCCC12CC2 2266270675 QPCZUKLWWUNZPI-OCCSQVGLSA-N 265.347 4.676 30 10 CJEE C=CCCCCCCCCC(=O)C1(OC)CC(C)C1 2266423796 DPHOUZSKMMTJMU-UHFFFAOYSA-N 266.425 4.677 30 10 CJEE N#CC1([C@@H](O)c2csc(C3CC3)c2)CCCCCC1 2267871124 LTWBIKOOCBSUEL-HNNXBMFYSA-N 275.417 4.523 30 10 CJEE CCN[C@@H]1CCCC[C@H](CC=CC#CC(C)(C)C)C1 2268735501 NOAVIDKPUWQRLU-DLBZAZTESA-N 261.453 4.541 30 10 CJEE C=CCCCSCCC[C@H](NCC)c1ccccc1 2271499141 XRRVULSLBOTOBE-KRWDZBQOSA-N 277.477 4.817 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCC(F)(F)CC1 2271785980 RMFRGVFCIFNDPM-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CC1CC2(C1)CC(C[C@@]1(C=O)CCCC(C)(C)C1)C2 2272167550 YPYRVDFAJFKCDJ-OQJBAJDCSA-N 262.437 4.988 30 10 CJEE C=C[C@H](C)C[C@H](CC1CC2(CC(C)C2)C1)NCCC 2272204206 ZHVULKGOIUCVTK-FEPQMPSTSA-N 263.469 4.783 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(N)C#CC2CCCCC2)C1 2273997519 ZUSZZMAAXNQXAB-FUHWJXTLSA-N 261.453 4.504 30 10 CJEE CCCCCCCO[C@H]1CCNc2ccc(F)cc21 2274413566 PGQGAFCPMLMRIX-INIZCTEOSA-N 265.372 4.669 30 10 CJEE C[C@H](CC(C)(C)C#N)N[C@@H]1CC(C)(C)CCC1(C)C 2274550545 PHGFHGFNCILJIG-ZIAGYGMSSA-N 264.457 4.509 30 10 CJEE CCCCCCCC[C@@](CC)(OCCCN)C(F)F 2277357006 MDKYNQDUCAMHLR-OAHLLOKOSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@](C)(N)CC1(COC)CC1 2278180044 GLSYMHGTBKCCPL-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)NOCCC(F)(F)F 2278236146 PNYGBNMKUXNSJV-CYBMUJFWSA-N 283.378 4.989 30 10 CJEE CC1(C)CCO[C@H](C[C@@]2(C=O)CCCCC23CCC3)C1 2280340908 AYBBVFAMCJHLLG-MAUKXSAKSA-N 278.436 4.511 30 10 CJEE CCCCCCCOc1cc(C)c(C[C@@H](C)N)c(C)c1 2282777079 CZUXTSCNQISCQA-MRXNPFEDSA-N 277.452 4.542 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cccc(OC)c1Cl 2283314451 GDRQGUNMUMMCMO-OAHLLOKOSA-N 293.838 4.583 30 10 CJEE CCCNC[C@]1(CC=CC#CC(C)(C)C)CCC1(C)C 2284080065 NHMJREJWDMSISX-IBGZPJMESA-N 275.480 4.788 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CS[C@H](C)CC 2284113788 UXIOLCCDEIBJQW-IAGOWNOFSA-N 295.536 4.882 30 10 CJEE CCCC1CCC(N(C)CC=CC#CC(C)(C)C)CC1 2284145780 BMTJBXWIJTZJNB-UHFFFAOYSA-N 275.480 4.883 30 10 CJEE C=CCCCSc1c(CNC2CCC2)ccc(F)c1F 2287183730 WBLNSCFCPBUHQP-UHFFFAOYSA-N 297.414 4.665 30 10 CJEE C=C(C)CCCC[C@H](NN)c1ccccc1C(C)(C)C 2287467798 PZTOJMHWYZHVPX-KRWDZBQOSA-N 274.452 4.625 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc2c1OC(C)(C)C2 2287468462 VFVLXVCXIBKRBU-INIZCTEOSA-N 273.420 4.536 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@]12CCCC[C@@H]1CC2 2288941771 BNIVQYWBJGNZLS-LMMKCTJWSA-N 273.464 4.541 30 10 CJEE N[C@@H](C#CC1CCCCC1)c1cc2c(s1)CCCCC2 2289785685 IFSRLNCXBZIYNK-INIZCTEOSA-N 287.472 4.601 30 10 CJEE C=CCCCO[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2290219598 LMJDQHAHQGTSJU-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2290290687 VHKNIFVSMOZEQH-KXBFYZLASA-N 272.432 4.922 30 10 CJEE C=CC=CCC[C@](C)(CCCCCCC)OCC(=O)O 2290686418 RLIPPWBXGPAGOV-QGZVFWFLSA-N 282.424 4.729 30 10 CJEE C=CCCCCC[C@@]1(OCCC(=O)O)CCCC1(C)C 2291442990 WSIQAUGHVWGIAJ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)C1(C)CCC1 2291587697 PYUDVMSPLPCJBO-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1C=CCC1)OCCN 2293356977 MNOOWJLHZHNJTK-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC1(OCCN)CC(CCC)C1 2293857395 TYUCBNJUKRISKC-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@](OCCN)(c1cccs1)C(C)C 2293884972 PDOBWSSYPGLOAG-KRWDZBQOSA-N 295.492 4.711 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1CC=CCC1)OCCN 2294063908 WXZWRNAEUDODME-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCC(CC=C)C[C@H](O)c1ccccc1Br 2301051367 URLBHAZSNNEBST-HNNXBMFYSA-N 295.220 4.641 30 10 CJEE CCCC[C@@](C=O)(CC)C(CC1CC1)CC1CC1 2313665696 DFMCFNAQEMICJQ-QGZVFWFLSA-N 250.426 4.988 30 10 CJEE C[C@H]1CC[C@H](CSc2cc(F)cc(C#N)c2)CC1 2313842036 HRPWTADNIQYPNP-HAQNSBGRSA-N 263.381 4.616 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H](CC)CCCC 2316738875 LZJCDMRYMMERKV-RDJZCZTQSA-N 251.458 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(Cl)cc1C 2316746642 JHRWDPWCFJBZFH-INIZCTEOSA-N 263.812 4.677 30 10 CJEE C=CCC(CC=C)[C@H](O)c1csc(C(F)(F)F)c1 2316748974 GDMMOCYDIIINTO-LBPRGKRZSA-N 276.323 4.569 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)C#C[C@@H]1CC1(C)C 2317326753 BOPUFFFPJQPIAW-SNVBAGLBSA-N 281.182 4.534 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)c(Cl)c(C)c1 2321095090 GARAPDCZVCOXPV-CVEARBPZSA-N 265.828 4.949 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(F)c(C)cc1Cl 2321097026 XOTKRACCHHVIIS-BONVTDFDSA-N 269.791 4.650 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(Cl)c1F 2321107808 JOHADZBBBYRCCJ-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC1(C(C)(C)C)CCC1 2321220360 ROFNWRJVRRFHLP-HOCLYGCPSA-N 252.442 4.946 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2332256334 HAVLTCYSVUYIKM-RZFLPCETSA-N 264.453 4.924 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CCC(CC)CC 2338170989 IZCJDMZJGFYFLZ-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE C=CCC(CC=C)N(C)Cc1cc2c(s1)CCCC2 2338704982 JIPCCIAAXQEIRV-UHFFFAOYSA-N 275.461 4.580 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCCCC1(F)F 2338741669 PEEBKWCIEPXREQ-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc2cscc2s1 2339580450 FITMNOPDUQPVNT-OLZOCXBDSA-N 289.469 4.663 30 10 CJEE C=CCC(CC=C)[C@H](CCC[C@@H]1C[C@@H]1C)NCCC 2341486496 DUPHUNPSVJMMDB-JQHSSLGASA-N 263.469 4.949 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc(C(C)(C)C)cc1 2341882255 BUNYXBRGZIKKIZ-SJORKVTESA-N 257.421 4.601 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cccnc2C(C)C)CC1 2342157988 LMLSJJZYJWECDB-CYBMUJFWSA-N 257.377 4.524 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCC(C)=C(C)C3)C[C@@H](C1)C2 2343479641 PGVZDFAAVBLYLJ-KTGAGVNESA-N 259.437 4.600 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)NCCC 2344340052 OGSBYNDWJAYPNT-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1[C@H]2CCCC[C@H]12 2344373628 BRCACTPGMVQBKD-ONIAQPFYSA-N 263.469 4.783 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CO[C@H](C)C2)c1Cl 2353185496 IRWWWKLYBYHTOS-BPYAMOTFSA-N 298.213 4.724 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccc(Cl)cc1C#N)C2 2354154992 GUVXPIPVYRQCEA-UNEWFSDZSA-N 288.822 4.982 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)C[C@@H]1OC[C@@H]2CCCC[C@H]12 2358518487 PWRDKSPCEYOPEK-OVWQWFNUSA-N 275.436 4.692 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)C1C(C)(C)C1(C)C 2360206146 UEYLFJGHRMCWAN-OAHLLOKOSA-N 295.536 4.901 30 10 CJEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2)c1 38316391 VNZJNHBOUBHACP-UHFFFAOYSA-N 294.398 4.777 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](n2ccnc2-c2cccs2)C1 45048371 RDTGWROSAJZECW-QLFBSQMISA-N 299.443 4.893 30 10 CJEE Cc1ccc2cccc(Oc3ccc(Cl)cc3C#N)c2n1 52859862 OYLQGNRMRZEVPO-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE N#Cc1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1 64438667 KHJUHDXXNYTWNO-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C=CCOc1ccc(CNCC[C@@H]2CCC[C@@H](C)C2)cc1 70546924 FVWUBRIJXVFMJQ-SJORKVTESA-N 287.447 4.557 30 10 CJEE Cc1ccc(SC[C@H](C#N)c2ccccc2)c(C)c1 80800630 JQOLNEDUSKLSGO-INIZCTEOSA-N 267.397 4.703 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2c(C)cc(C)cc2C)C1 87996810 CPCJQOLQATUTMM-AEFFLSMTSA-N 255.405 4.874 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2cccc(Cl)c2Cl)CC1 91881577 WTAUTPWDUNFKBK-CUMGRINNSA-N 298.213 4.747 30 10 CJEE CCC[C@H]1CCC[C@](O)(C2(C#N)CCCCC2)CC1 91903423 KYCZLYLEMMPMFB-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CC(C)CN(C1CCCC1)[C@H](CC#N)c1ccccc1 94848734 NPSBFJIWEXAQSR-GOSISDBHSA-N 270.420 4.542 30 10 CJEE N#CCCCn1ccc2c(OCc3ccccc3)cccc21 96778068 AVNGPTDPZAIMOR-UHFFFAOYSA-N 290.366 4.524 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 97208599 ZHAYSRANGZMYKZ-CYBMUJFWSA-N 286.246 4.870 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCc2ccccc2C1 97208970 MWBPANHXZWYYPY-OALUTQOASA-N 271.448 4.516 30 10 CJEE CCCCCCCn1c(CN2CCCC2)nc2ccccc21 101301529 KYWUXNKVEAMOQL-UHFFFAOYSA-N 299.462 4.603 30 10 CJEE CCCCCCCCNc1ccc(OCC)cc1[N+](=O)[O-] 104456521 CGZJCGCLAXRCHJ-UHFFFAOYSA-N 294.395 4.766 30 10 CJEE CCCCCCCNc1cc(C)c(C)cc1[N+](=O)[O-] 109945974 ZNCAWBSUYQCJJW-UHFFFAOYSA-N 264.369 4.594 30 10 CJEE CCCCCCCCO[C@H](c1ccsc1)[C@H](N)CC 109988907 DGOKNSLJEIEWAS-HZPDHXFCSA-N 283.481 4.904 30 10 CJEE CCCCCCCOc1ccc(C)cc1C[C@H](N)CC 110518755 MEPLDXMDIBZOJA-QGZVFWFLSA-N 277.452 4.624 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)cccc1F 114874218 PIVVXCISYBLJTC-AWEZNQCLSA-N 256.336 4.749 30 10 CJEE CCCCCCCCCc1nc2c(C)ccnc2[nH]1 115063966 VMNPEBUEIHVLPB-UHFFFAOYSA-N 259.397 4.559 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NCC12CCCC2 115233876 WDVLZPKXSGSBLE-QGZVFWFLSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCN1C[C@H](C2CC2)NC[C@@]1(C)CC 115252926 CNWRLYUHNDWPKT-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@H](CSC(C)C)NCCC 115806112 CSMWZZOKEHDOCB-OAHLLOKOSA-N 259.503 4.857 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CCc2ccccc2C1 115843223 YFUSNSYNHIIVMI-MSOLQXFVSA-N 260.421 4.513 30 10 CJEE CCCCCCC[C@H](NN)c1cc2c(s1)CCCCC2 122268170 VGCIFOCHWLVVTF-HNNXBMFYSA-N 294.508 4.882 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cc(Cl)ccc2o1 124989377 QKGGYJAUASHOBM-AWEZNQCLSA-N 294.826 4.951 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1C#N 126220538 FADUQNZUHLJASG-GDBMZVCRSA-N 274.383 4.714 30 10 CJEE CCCCCCC[C@H](CN)N(CCC(C)C)C1CCCC1 129635423 KFARRBDLMLLODZ-LJQANCHMSA-N 296.543 4.965 30 10 CJEE Cc1ccccc1NC1(C#N)CC(C)(C)CC(C)(C)C1 129802885 CDCIBFDSYDTGBI-UHFFFAOYSA-N 270.420 4.906 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)NC2CCCCC2)CC1 130060975 OEVYEXRZPZNDES-DQPZFDDXSA-N 276.468 4.653 30 10 CJEE CCCCCCCOc1ccc([C@H](C)O)cc1Cl 130616031 GLUALQHHEZKWTF-LBPRGKRZSA-N 270.800 4.743 30 10 CJEE CCCCCCCCC(=O)[C@H]1OCCc2ccccc21 135446394 PCDGEBRWGYMCKS-SFHVURJKSA-N 274.404 4.620 30 10 CJEE CCCCCCCCCCC[C@H](O)C(F)(F)F 136546793 IOSSFFLUYOSZSC-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCCCS1 160882614 WLAJOXXQJDCTMY-CABCVRRESA-N 258.471 4.774 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1cc(C#N)ccc1Cl 163254192 ILCGWSJMDVSELE-YLQAJVPDSA-N 288.822 4.838 30 10 CJEE N#Cc1cc(Oc2ccc(F)cc2F)ccc1C(F)(F)F 164492662 LTOVALZBJJQLDZ-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccn(C(CC)CC)n1 168943678 QEFQUNVUYKFTRA-MRXNPFEDSA-N 293.499 4.865 30 10 CJEE CC#CCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 169067722 REGCVKPOTWMJBY-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE CC(C)(C)c1ccc(SC/C=C\CS)cc1 211719683 UJQHYZRHJWZFSM-PLNGDYQASA-N 252.448 4.562 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(OCCCC#N)c2)C1 221988670 VNVBWPHTVYUGRL-RKVPGOIHSA-N 286.419 4.606 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)c2cccc(C)c2)C1 222791188 JUPXTMQPGQVWEY-NUJGCVRESA-N 270.420 4.540 30 10 CJEE SCC1(CN2CCC[C@@H]3CCCC[C@H]32)CCCCCC1 227259374 MRVDSLALKXAELV-DLBZAZTESA-N 295.536 4.911 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(OC)CCC[C@@H](C)C1 227738560 GJNQSTNUQWQQKN-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)O1 228815517 NTQPPKDAQVFOIN-SQNIBIBYSA-N 298.515 4.697 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1ccc(C#N)c(Cl)c1)C2 228970709 XLYLDGUOXXWICO-NUTKFTJISA-N 289.806 4.805 30 10 CJEE CC[C@@H](C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 232341509 DSMZNLDGZANLAU-LLVKDONJSA-N 286.762 4.912 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](O)CCC 232914785 BVNUOGZTGDWISY-SJORKVTESA-N 272.473 4.819 30 10 CJEE CCCCCCC[C@H](C)N(CCC)C[C@@H]1CCCCN1 232943864 MOEDPTGTSVCWFF-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cccc(C)n1 233124803 MCMXJFVTDLNPJN-INIZCTEOSA-N 260.425 4.567 30 10 CJEE CCC[C@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 233363827 BPBHNKIBEPKZPX-QMMMGPOBSA-N 297.836 4.683 30 10 CJEE N#Cc1sccc1-c1ccc(Cl)c(Cl)c1 238525685 ZJFDBZSARYWFDK-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@H]2CC[C@H]1O2 250838082 WGVOFFVAFGKKPY-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(CCC(C)=NO)cc1 252461818 XJPXDKPEIYJNNS-AEFFLSMTSA-N 289.419 4.817 30 10 CJEE CC[C@H](C)c1ccc(-c2cnc([C@@H](C#N)CC)[nH]2)cc1 259178841 VXSPVSHZSAMYEQ-QWHCGFSZSA-N 267.376 4.607 30 10 CJEE C[C@H](C#N)Cc1ccc2sc(C(F)(F)F)cc2c1 260742752 ZFRHYELJRNHKDP-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CCCC(F)(F)C1 302319474 CAXWDZINBCHQOB-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@@H]2CCCC(F)(F)C2)CC1 306024363 QNZZACYGPPTDBV-RYUDHWBXSA-N 256.336 4.518 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCSc3ccccc32)c1 308122330 NUVOJASBGASTJR-MRXNPFEDSA-N 280.396 4.516 30 10 CJEE CC(C)(C)C#CC[C@H]1CCCC[C@H]1CNC(C)(C)C 311348041 TYPDCEYNIVNNHM-CVEARBPZSA-N 263.469 4.621 30 10 CJEE N#C[C@@]1(Nc2cccc(F)c2)CCCC12CCCCC2 313034505 LSBNNZUHCOFOEV-KRWDZBQOSA-N 272.367 4.634 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@]1(C=O)CCc2ccccc2C1 316677625 BHDZAWFAFMLROM-LZQZEXGQSA-N 270.416 4.577 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CC[C@H](CC)C1 318287236 JDXCCHWCCMQHEV-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCOc1cccc(C[C@@H](C)N)c1Cl 380823495 GTXBGEIHVSIFBP-CQSZACIVSA-N 297.870 4.969 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1ccc(OC(F)F)cc1 381758950 WPAHCKUPMZNYPD-FZMZJTMJSA-N 267.319 4.577 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCCOCc1ccccc1 384887910 SPBUYFCIZLQMSU-SJLPKXTDSA-N 271.404 4.703 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCCc2sc(Cl)cc21 385030039 KJMHAAYHEZXOGP-LLVKDONJSA-N 269.841 4.581 30 10 CJEE CC(=O)/C(C)=C\c1ccc(-c2ccc(F)cc2)s1 385366721 KSJCDZMVSOFICQ-KTKRTIGZSA-N 260.333 4.547 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@@H](C)C1 388603266 AASATNHJIHVNIX-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](NCCC)c1ccc(C)nn1 396957293 RIPKIGOSEJJKME-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCCCCCCCNCc1conc1C 397850292 GVYZJLYBWXPVEN-UHFFFAOYSA-N 280.456 4.994 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]1(C)C[C@H]1F 399292221 HXZPJVRAZXYAEO-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE CCCCCCCCC[C@H](Cc1cnsn1)NCCC 399840548 FZHNGNHOEZYVPC-OAHLLOKOSA-N 297.512 4.590 30 10 CJEE O=C(CC(F)(F)c1ccccc1)C1=CCCCCC1 401067399 JCCASPZHTRSHMV-UHFFFAOYSA-N 264.315 4.628 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](CCC)CC[C@H]1NCC 403819934 AAZSZHMUSVYDGG-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE Cc1cc(C(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 575340876 PVAZJCYBOPTLFN-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(CC)CC 669675651 BKLIBWZMUDRFAK-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C#CCCCCCC(=O)c1cc(C(F)(F)F)ccc1F 686697877 WETWZQALFIBWCT-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C(CC)(CC)C(F)(F)F 690227973 QIUKHCYYOKIQDK-CYBMUJFWSA-N 291.401 4.773 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(SC)cc1 692190791 LVXQYFSXASVCFP-NVXWUHKLSA-N 275.461 4.633 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(F)cc(F)c1 692235935 WKFCSNNMJWVWMO-XNJGSVPQSA-N 279.374 4.750 30 10 CJEE CN(C[C@@H]1CCC[C@H]2C[C@H]21)CC1(CS)CCCCCC1 694459011 FMLLDSYQJNPQRJ-YESZJQIVSA-N 295.536 4.625 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(C)CCCC[C@H]1N 696618674 XCPYUCDPEYYVEI-FGTMMUONSA-N 283.500 4.786 30 10 CJEE C#C[C@H](N[C@H](CCCC)c1ccc(F)cc1)C(C)(C)C 702250801 MJHYFVYQYVNUDX-SJORKVTESA-N 275.411 4.695 30 10 CJEE CCSc1cccc(NC2C[C@H]3CC[C@H](C2)C3)c1C#N 704682747 AZRJZYHETAWWJT-STQMWFEESA-N 286.444 4.661 30 10 CJEE Cc1cccc(S[C@H](C#N)[C@@H]2CCCC[C@H]2C)c1 704931143 YTUIBNLATQLFEW-FVQBIDKESA-N 259.418 4.806 30 10 CJEE C=CCCCCCCNc1nc2ccccc2nc1Cl 711322932 SIHCWQLQNZWMRM-UHFFFAOYSA-N 289.810 4.832 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)CNCC 714582671 HSKJNKMMSFOLRZ-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H](N)C1CCCC1 718799952 BVGRUDYIDYJJHB-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C)[C@@H]1C 719597265 GUEFCYQBCANUJB-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCc3cc(C)ccc32)CCCCC1 1125352459 AUBLXYXPTCFCEQ-SFHVURJKSA-N 297.442 4.625 30 10 CJEE C=C(C)CCC(=O)O[C@@H](CC)c1cccc(Cl)c1 1127817649 ZOLVOCRCIXBXJZ-AWEZNQCLSA-N 266.768 4.691 30 10 CJEE C=C[C@H](OC(=O)/C=C\Sc1ccccc1)c1ccccc1 1131134232 FZJOBSYDVCZLPL-NJWFCXLTSA-N 296.391 4.763 30 10 CJEE C=CC(C)(C)CC(=O)Nc1nc(C2CCCCC2)cs1 1132442572 ZSYRNXLPJHEKFM-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE CCCCCCCN(C)[C@H](C)c1sc(CC)nc1C 1167464421 LPKKJXXKUXAFNH-CQSZACIVSA-N 282.497 4.977 30 10 CJEE C=CCN(Cc1cnc2c(F)cccc2c1)c1ccccc1 1180970652 UHLOABCBPOJCBT-UHFFFAOYSA-N 292.357 4.567 30 10 CJEE C=C(CC)CN(Cc1ccc(F)cc1F)C1CCCC1 1192013392 MWQMTBFDZYVWLT-UHFFFAOYSA-N 279.374 4.676 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(CN(C)C)c(C)c1 1206240066 SMGYEKGNMAZLOT-KRWDZBQOSA-N 274.452 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)CCc1ccccc1F 1206636752 RHPGGOFDNAVESR-WDYCEAGBSA-N 289.438 4.871 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)[C@@H]2COc3ccccc3C2)c1 1207741444 HCPUOHYSHHZYTD-YJBOKZPZSA-N 293.410 4.771 30 10 CJEE N#CCc1cccc(-c2ccc(C(F)(F)F)cc2)c1F 1240820363 MNJYVSUSDVVUHX-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C#CCCCCCC(=O)O[C@@H](C)c1ccc(SC)cc1 1270047215 FPXSBSNMMBARJG-AWEZNQCLSA-N 290.428 4.596 30 10 CJEE C#CC[C@@H]1CCN(C(=O)[C@@](C)(CCC)CCCCCC)C1 1280468272 QVWYELWTUANVIC-MJGOQNOKSA-N 291.479 4.635 30 10 CJEE C/C(=C\Cl)CSCC#Cc1ccccc1Cl 1459049757 DLEHGMQWEVPMFM-PKNBQFBNSA-N 271.212 4.567 30 10 CJEE C=CCC[C@H](NCc1cccc(COC)c1)c1ccccc1 1459849196 KABUZFANEGTUQS-FQEVSTJZSA-N 295.426 4.630 30 10 CJEE C=CCCCCCN(C)C[C@H]1CCCC[C@H]1CC 1461962542 UMQSJVFZXOPIAA-IAGOWNOFSA-N 251.458 4.881 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OCC)c(Br)c1 1462131207 QVWBXNAYTCJIOY-NSHDSACASA-N 298.224 4.614 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@H](C)CCC1CCCCC1 1468787253 ONZPQFXSRIHJBG-JKSUJKDBSA-N 294.483 4.779 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H]1CCc2c(Cl)cccc21 1473663453 QIGPLRBZIQFDQS-AHIWAGSCSA-N 273.807 4.510 30 10 CJEE C#CCC1(C(=O)NCC[C@@H](C)CC(C)(C)C)CCCCC1 1523025913 FUSRFBHMYVDOPM-MRXNPFEDSA-N 291.479 4.539 30 10 CJEE C=CC[C@@H]1N(C(=O)CC2CCCCCC2)CCCC1(C)C 1524931304 RIRYWGHVUNOSLD-KRWDZBQOSA-N 291.479 4.940 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(SCC)cc1 1528880963 NOJUURNVNQWBMF-KGLIPLIRSA-N 291.460 4.578 30 10 CJEE C#Cc1cccc(NC(=O)c2ccccc2C(C)(C)CC)c1 1532232964 ZYNMXMCIJAEDME-UHFFFAOYSA-N 291.394 4.608 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1CCC1(C)C)c1ccccc1 1536600382 XCDJTDLDVXRRNE-IRXDYDNUSA-N 285.431 4.636 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCCCSC 1538890122 KJSZPWKEYAFXBG-CVEARBPZSA-N 297.508 4.551 30 10 CJEE C=C(CC(C)C)C(=O)N(Cc1ccsc1)c1ccccc1 1545037406 CBLFKKXEECTQJF-UHFFFAOYSA-N 299.439 4.884 30 10 CJEE C=C(C)CNC1(c2ccc(Cl)cc2)CCCCC1 1559623050 GDNLMSDHVNTYHJ-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1 1560937294 AKSSXOMFYGOYHU-MSOLQXFVSA-N 292.511 4.508 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1586954433 PFMJTRCKLVYDOC-CABCVRRESA-N 279.468 4.557 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C)cc1 1587229830 KAGBKCBVRMTGTL-MAUKXSAKSA-N 299.458 4.849 30 10 CJEE CCCCOc1ccc(C#Cc2cccc(F)c2F)cc1 1614825220 BJWGRZKKHNUDOM-UHFFFAOYSA-N 286.321 4.544 30 10 CJEE C=CCCCCCN(C)Cc1ccccc1C1CC1 1641837824 MOIGKISVAUVLQJ-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=CC[C@H]1CC[C@H](NCC2(CC(C)C)CCCC2)C1 1650685165 NRSQWNYJOVLXSL-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCNc1ncc(Cl)s1 1651121236 YLHXECSLSXPIJH-UHFFFAOYSA-N 258.818 4.735 30 10 CJEE C=CCCCCN1CCc2c(ccc(Cl)c2Cl)C1 1652410497 GTMGJNHSWMZMAL-UHFFFAOYSA-N 284.230 4.708 30 10 CJEE CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1C 1653241791 FWDMIONLMYYBPQ-PXNSSMCTSA-N 298.474 4.843 30 10 CJEE C=CCC1(NCc2cc(C)nc3ccccc23)CCCCC1 1654518460 OOHHWOHTTGACRQ-UHFFFAOYSA-N 294.442 4.912 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CF)C1 1659959227 ZWRHJJIMVGWJRY-MRXNPFEDSA-N 257.437 4.809 30 10 CJEE C=CCC[C@H](CCC)Nc1cncc(Br)c1C 1660087387 HUTYOBWDRJGZIE-LBPRGKRZSA-N 297.240 4.699 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](CC)C3CCCC3)cc21 1660804269 GNCIAIXHALZEKX-KRWDZBQOSA-N 283.419 4.603 30 10 CJEE C/C(CCc1ccccc1)=N\OCCCc1ccccc1 1860465804 RBEJTRIFDLIIMO-LVZFUZTISA-N 281.399 4.645 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCCCC12CCC2)OC(C)(C)C 1876990072 PQVIUAUNDQFYKN-WMLDXEAASA-N 266.425 4.510 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C(C)(C)C(F)(F)F 1878358145 MYOWFGIDCDFMDW-QMMMGPOBSA-N 290.716 4.601 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CCCC2(CC2)C1 1879649648 DHSYQSFIXFTDOC-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CCCCCCCCN1CC[C@H](P(C)(C)=O)C1(C)C 1883319216 GXKBPTZQQVAZCV-HNNXBMFYSA-N 287.428 4.823 30 10 CJEE C=C1CCC(CN(C)[C@H](C)C2CC3(CCC3)C2)CC1 1884400715 WRQSHYHNFNBSRK-OAHLLOKOSA-N 261.453 4.633 30 10 CJEE C=C1CCC(CN2CC[C@@H]3CCCCC[C@@H]3C2)CC1 1884400765 XCPPRPPSASHKTO-ZWKOTPCHSA-N 261.453 4.635 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1cc(C)c(C)o1 1885234361 APVOCHHOZRIRPK-MRXNPFEDSA-N 261.409 4.521 30 10 CJEE CC#CCCCC[C@]1(CNC(C)C)CCC12CCC2 1885236756 NROPRMCHTOTUOH-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@@H]1C[C@H](CC)C[C@@H](NCCC)C1 1885236850 MBZQWYMVGOMYTA-RCCFBDPRSA-N 263.469 4.765 30 10 CJEE CC#CCCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@@H]21 1885355794 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4.552 30 10 CJEE C=C([C@H](NCCC)c1sc(C)c(C)c1C)C(F)(F)F 2228570146 ZCGBJBIMAVBKFW-LBPRGKRZSA-N 291.382 4.833 30 10 CJEE CC(C)(C)C#CCCN[C@@H]1CCC[C@H](C(C)(C)C)C1 2230503930 ZFXSXEHVBGJUQL-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE C=C[C@@H](CCCCC)OCc1ccsc1CNCC 2231012236 UYOUXCSWPCCPKU-HNNXBMFYSA-N 281.465 4.509 30 10 CJEE C=C[C@H](CCCCC)Oc1ncnc(Cl)c1CCC 2231039339 DSZRHWQSMRXAIH-GFCCVEGCSA-N 282.815 4.596 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)CC(C)(C)C1 2231070265 RFVLWCUTTGEUJH-INIZCTEOSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)[C@@H](C)CC 2231074892 WAFQSMWIIRBWLV-DLBZAZTESA-N 271.489 4.907 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@@H]1CCCCC1(F)F 2231486428 KCCVPJKVPAAMJF-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=C[C@](C)(CCC(C)(C)C(F)(F)F)CN[C@H](C)CC 2231517551 GVBKNRVIJFCFLM-TZMCWYRMSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@@](C)(O)CCCOC1CCC1 2231904381 JQRHDNCIZAVWLK-QGZVFWFLSA-N 270.457 4.837 30 10 CJEE C=CCCCCCCC[C@@H](N)C[C@H]1CCC2(CCC2)O1 2235512861 GNWSRWPAIVTCLD-IAGOWNOFSA-N 279.468 4.722 30 10 CJEE C=CCCCCCCCN[C@H]1CCC(C)(C)C[C@@H]1OC 2235521954 OJRRAZPTTXOEIP-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCOc1ccc([C@@H](C)O)cc1C 2235536826 YLQSIGVBSCQHIQ-MRXNPFEDSA-N 276.420 4.954 30 10 CJEE C=CCCCCCCCN1CCC[C@@](F)(C(F)(F)F)C1 2235540201 URVGAIHPVYDLNT-AWEZNQCLSA-N 295.364 4.879 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)C1(CCC)CCC1 2235540926 CCRSAOMIZGVBDT-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)c1ccc(C)s1 2235542411 RXVBPBJKUNIVCE-DOTOQJQBSA-N 295.492 4.595 30 10 CJEE CCCCCCCCOCC1(CNCC)CCCCC1 2239389747 PSJPOFVSJMGGBH-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCOCC1(CNC)CCCCC1 2239468631 PTCHDVIALHBOLA-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCCO[C@@]1(C(=O)O)CC[C@H]1C 2239483428 NAQUETARRPAICN-WBVHZDCISA-N 284.440 4.787 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CC)(C[C@@H](C)CC)C(=O)O 2239500468 DEHAHCQKBZXRSY-UXLLHSPISA-N 284.440 4.808 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NCC)C1(C)CCCC1 2239502244 SNXQSJZLMSNUOX-IRXDYDNUSA-N 281.484 4.696 30 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CJEE Cc1cc(Cl)cc([C@H](N)CC=CC#CC(C)(C)C)c1 2268748870 UOFOBZYMQWEAQL-MRXNPFEDSA-N 275.823 4.644 30 10 CJEE Cc1cc(Cl)cc([C@@H](O)CC=CC#CC(C)(C)C)c1 2268755282 RGQQUESIEMSHNS-INIZCTEOSA-N 276.807 4.678 30 10 CJEE C=CCCCS[C@H]1CC2(CCC2)CC[C@@H]1NCCC 2271485734 PZZSLCSQAOWRFX-HOTGVXAUSA-N 281.509 4.777 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NCC 2271496862 BJISNIOVSLFJEQ-ARFHVFGLSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1CCCC(F)(F)C1 2271792028 RCQREIKQTOYHQZ-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cnc(C(C)(F)F)s2)CC1 2273592655 JTCPETKDPYBOIB-VIFPVBQESA-N 285.359 4.574 30 10 CJEE CC[C@](C#N)(C(C)C)[C@@]1(O)CC(C)(C)CCC1(C)C 2274492558 VYEPROGFSZXVKX-DLBZAZTESA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)[C@H](C)CC 2274674467 VDCQDGCWWFHHNY-ZBFHGGJFSA-N 272.429 4.643 30 10 CJEE C=C(CC)C[C@@](C)(CCCCCC)OCCC(=O)O 2275171395 ZHUPWILQARJKLB-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1ccsc1 2276436094 LLOZWFFDTUBXEL-INIZCTEOSA-N 283.481 4.689 30 10 CJEE CCCCCCC[C@H](OCCCN)c1csc(C)c1 2276479146 WPUPYSVRQULKSY-INIZCTEOSA-N 283.481 4.824 30 10 CJEE CN(CCCCCCCS)CC1CC2(CCCC2)C1 2277508331 MGTOZANFIJAEKZ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=CCC1(NCc2sc(C(F)(F)F)cc2C)CCC1 2277708278 NMWRBFNLCTZTHW-UHFFFAOYSA-N 289.366 4.664 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 2277804033 LEMVSFFAXOJGHK-HALDLXJZSA-N 251.373 4.620 30 10 CJEE CCCC[C@H](CC)CS[C@H](C)C[C@](C)(C#N)NCC 2278325913 RMWAFUMOTACKSO-OWCLPIDISA-N 284.513 4.606 30 10 CJEE CC1(C[C@@]2(C=O)CCCCC23CC3)CC(C(F)(F)F)C1 2279325509 OHPZLDZJTLILEP-SSDMNJCBSA-N 288.353 4.895 30 10 CJEE CCC[C@@H]1CCSC(=NCC[C@@H]2CCCCC23CC3)N1 2279726621 QDZMYFVQXAZRCD-LSDHHAIUSA-N 294.508 4.598 30 10 CJEE N#Cc1cc(Cl)ccc1NCC[C@@H]1CCCCC12CC2 2279752863 XYBQRDZFWQSCRP-AWEZNQCLSA-N 288.822 4.984 30 10 CJEE C[C@H]1CCC[C@H](CCn2ccc3ccc(C#N)cc32)C1 2279802398 NRPUAPRWRMWWBM-LSDHHAIUSA-N 266.388 4.729 30 10 CJEE CCC1(CC)CCC(Nc2c(F)cccc2C#N)CC1 2280479125 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CCCCCCCCCNCC[C@@H]1CC(C)(C)CCO1 2288008902 VZYSPDWIQLFQGT-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCSCC[C@@H]1CCCC[C@@]1(C#N)NC1CC1 2288862321 XHHUMUVXYAKMMZ-RDJZCZTQSA-N 294.508 4.504 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C=CCCC1)OCC(=O)O 2291099015 FFJOUNXJZPASNZ-CVEARBPZSA-N 282.424 4.563 30 10 CJEE C=C(CC)C[C@H](OCCC(=O)O)c1ccc(Cl)c(C)c1 2291139242 AEMRKDSKUVLDRD-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE CCCCCCC[C@H](CC1=CCCCC1)OCC(=O)O 2292546719 MTAADCORJPJUIR-MRXNPFEDSA-N 282.424 4.707 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C(C)(C)C(C)C 2292655692 NUZWOPZTZLYDPM-QGZVFWFLSA-N 283.500 4.929 30 10 CJEE C=CCCCCCC[C@@](C)(OCCCN)c1cccs1 2292784554 LXVPQSZAHVPRIG-QGZVFWFLSA-N 295.492 4.855 30 10 CJEE C=C(C)CCCC[C@](C)(OCCCN)[C@@H](C)CC(C)C 2293578188 WHWKZXXXBWEYIK-ROUUACIJSA-N 283.500 4.929 30 10 CJEE C=CCCCCCC[C@](C)(OCCN)C1(C)CCCC1 2293994074 JFNACOCMBWKMCT-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CC1(C[C@@H](OCCCN)C(CCC)CCC)CCC1 2294542201 TWCXNDBDYNWFIH-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE CC(C=NO)=C(Cl)c1ccc(-c2ccccc2F)cc1 2294965787 NALTUZHWFHPPAD-UHFFFAOYSA-N 289.737 4.923 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](c2cscn2)CO1 2295535858 HRRPSALLKJVHMW-GOEBONIOSA-N 296.480 4.661 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1C[C@H]2CC[C@H]1O2 2295677185 AZRXGOHEIKFYFO-BSDSXHPESA-N 281.484 4.673 30 10 CJEE CCCCCCSC[C@](C#N)(C[C@@H](C)CC)NC1CC1 2295711569 PIHQOLZFRIOIJR-DOTOQJQBSA-N 296.524 4.750 30 10 CJEE COc1ccc(C=CC(=O)C=Cc2ccc(Cl)cc2)cc1 2296887418 NURTVDZVDIFXDI-UHFFFAOYSA-N 298.769 4.644 30 10 CJEE Cc1ccc(C=C2CC[C@H](C3CCCC3)C2=O)cc1 2297334003 SMPHJPBYPSFKHQ-QGZVFWFLSA-N 254.373 4.548 30 10 CJEE C=CC[C@@H](C)SC[C@H](N)c1ccc(Cl)cc1Cl 2298825081 WIGLUAUBUJFZNI-RNCFNFMXSA-N 290.259 4.691 30 10 CJEE CC(C)(C)[C@@](C)(CS)COc1ccccc1Cl 2307102114 VGLUHTFFKUQWSJ-CQSZACIVSA-N 272.841 4.701 30 10 CJEE C=C(C)CCCC[S@@](=N)(=O)CC1CCC(C)CC1 2313790693 PZBGIDINIYHMCU-JTTJXQCZSA-N 271.470 4.606 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(CC)s1 2315463464 RHHXZIBZDPPHEV-GZBFAFLISA-N 263.450 4.706 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(C)c1F 2319289947 ZVRGMBCHXLQPPI-CQSZACIVSA-N 269.791 4.794 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1c(Cl)cccc1Cl 2321095893 NAHIGPSYPCGSKA-GJZGRUSLSA-N 286.246 4.856 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ncc(Cl)s1 2321101212 ICUHHXMWKSDPBB-OCCSQVGLSA-N 286.872 4.830 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(F)c(C)cc1Cl 2321219527 JKZYURFRIVAJND-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE C=CCC(C)(C)[C@@H](O)CC[C@H]1CCCCC12CC2 2321228426 MGKLBEJUMGGHNW-CABCVRRESA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)S[C@@](C)(C(=O)O)C(C)(C)CC 2327019063 SABMHPADHKGUPB-HNNXBMFYSA-N 270.438 4.520 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(F)(F)F 2329034006 IQCUAHOMRPVRLK-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE C=CCC(CC=C)SC[C@@H]1CCC2(CCCC2)CN1 2335099023 QQVUATKBBXXLGO-HNNXBMFYSA-N 279.493 4.553 30 10 CJEE C=C1CCC(C[C@H](CCC[C@@H]2C[C@H]2C)NCC)CC1 2341488400 JKPNSZHZWKVNFW-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](C)NCCCCC(F)(F)C(F)(F)F 2342337567 KPYZUDWYNWPCGF-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1ccc(Cl)cc1C#N 2343133217 UBNRLDXANORHBO-SMDDNHRTSA-N 277.795 4.663 30 10 CJEE C=CC1(NCc2cccc(C(C)C)c2)CCCCC1 2343745082 HWVHQZYHLWAKKO-UHFFFAOYSA-N 257.421 4.789 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCc1ccccc1)NCC 2344344833 UIBVLJSBVKLHSZ-QZTJIDSGSA-N 259.437 4.590 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1cccc(Cl)c1C)NCCC 2344382286 PBYRUKOXRFCCAK-DYVFJYSZSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)Cc1cccc(C(C)C)c1 2344461193 YFYKHBNNRHUHFD-ROUUACIJSA-N 260.421 4.706 30 10 CJEE C=CCCCCCCCCC=C[C@@H]1CC2(CC2)CN1 2344586912 SKDGMFDVGGJSME-QGZVFWFLSA-N 261.453 4.992 30 10 CJEE CC(C)c1ccc(OCC2(CS)CC(C)(C)C2)cc1 2345007130 WQWOJDMHFHGIIZ-UHFFFAOYSA-N 278.461 4.925 30 10 CJEE C#Cc1cccc(NCc2cc(F)c(Cl)cc2Cl)c1 2349798052 TVADLBNSOIBDPJ-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCC[C@@H](C(C)(C)C)C1 2352008423 LBUPXSULHOYYSQ-WOSRLPQWSA-N 284.465 4.744 30 10 CJEE C=CCC(CC=C)S[C@@](CC)(C(=O)O)c1cccs1 2352213213 XVTDUHNGANEERQ-OAHLLOKOSA-N 296.457 4.692 30 10 CJEE C=CC1CC(N)(c2ccc(CCCCCC)cc2)C1 2353134567 WYLGTMBGTDSYRP-UHFFFAOYSA-N 257.421 4.559 30 10 CJEE C=CCCCCC[C@@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354879164 ILMQPLMECHBELU-WNRNVDISSA-N 278.484 4.561 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CC[C@@H]2C[C@@H]2C1 2360079587 JYBJWCSKLYCUHZ-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(CN[C@H](C)CC)s1 2360219151 GGEJLJMUJXGSKH-CQSZACIVSA-N 293.476 4.844 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnn(C2CCC2)c1 2360255785 NIMGGCJWMIEDDY-QGZVFWFLSA-N 278.440 4.782 30 10 CJEE CCCCCCCCCC[C@@]1(O)OC(=O)c2ccccc21 2048811 XSFQVQAZZVTKKA-GOSISDBHSA-N 290.403 4.533 30 10 CJEE N#Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 11955159 HLQBHSOCKFRVDA-UHFFFAOYSA-N 293.753 4.944 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1ccccc1C#N 36970051 HXLAIPRHSNCXCW-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE N#Cc1ccc(NCc2ccc(-c3ccccc3)s2)cc1 37212092 DWOBSBPVWWROLR-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 37344709 SNAKHOPMWGIWCC-NEPJUHHUSA-N 295.785 4.872 30 10 CJEE Cc1ccc(N[C@H]2CCCC[C@@H]2C#N)cc1C(F)(F)F 54827580 QUAFILCPPYSELB-RISCZKNCSA-N 282.309 4.508 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)cc1OC 59089748 CFUFALSVCJWOEI-AWEZNQCLSA-N 279.424 4.865 30 10 CJEE CCCCCCCCOc1ccc(CC[C@@H](C)O)cc1 59292844 RZXDGTWCLZYRAQ-MRXNPFEDSA-N 278.436 4.739 30 10 CJEE Cc1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59678792 HQXUVURDNFJXTR-XDHOZWIPSA-N 262.356 4.546 30 10 CJEE N#Cc1ccc(Nc2cnc3ccccc3c2)c(Cl)c1 62793849 YEPQLCNYPFHNFN-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C=C(C)CSc1nc(Cl)c2cc(CC)sc2n1 71715834 JKDNCMAUAXBURS-UHFFFAOYSA-N 284.837 4.575 30 10 CJEE CCCc1oc(-c2ccc(SCC)cc2)cc1C#N 77082139 TXHPGJSRDSADKU-UHFFFAOYSA-N 271.385 4.883 30 10 CJEE C=CCCn1cc(CN[C@@H](C)CC)c2c(Cl)cccc21 84842333 CLKQAVDYGLXLBV-ZDUSSCGKSA-N 290.838 4.759 30 10 CJEE CC1CCC(C#N)(CCSc2ccccc2)CC1 92273557 XDDXIYZXFXODOG-UHFFFAOYSA-N 259.418 4.889 30 10 CJEE CC(C)(C)[C@@H](CS)CO[C@H]1CCCc2ccccc21 94583798 GCDZTNYNKONCKI-ZBFHGGJFSA-N 278.461 4.673 30 10 CJEE C[C@@H]1CC=CC[C@@H]1COCC1(CS)CCCCCC1 94584073 VNPZSWHYRDPOBF-HZPDHXFCSA-N 282.493 4.876 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(CC(C)C)cc2)c1 94896911 GURFNVREXLYNDN-IBGZPJMESA-N 278.399 4.870 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccncc1 109722134 RMBMSWAQARDAJW-QGZVFWFLSA-N 262.441 4.873 30 10 CJEE CCCCCCCCNc1cc(F)c(F)cc1F 109955746 VLSIYFSWDOTEOT-UHFFFAOYSA-N 259.315 4.876 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCCC[C@H]1O 110168515 URROAWYZTIKURF-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@@H]1C=O 110258075 ODHNKFXKGFRTDX-GOSISDBHSA-N 281.484 4.961 30 10 CJEE CCCCCCC[C@@H]1CCCc2ccccc2[C@@H]1N 111609856 VYXSRKSEKDIRAS-SJLPKXTDSA-N 259.437 4.999 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)C[C@H](C)C(C)(C)C)cc1C 111650653 GLMOPJNNIKAMIZ-GOEBONIOSA-N 271.404 4.552 30 10 CJEE CCCCCCCCN1CC2(CCCC2)NC[C@@]1(C)CC 114349384 LIJAMPRGNWHXGY-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCc1nnc([C@H](CC)NCC)s1 115276859 XDEGJKCVXFVMHW-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCn1ccc(C)c1C(=O)OCC 122452201 KCZRRMBIHSAILE-UHFFFAOYSA-N 279.424 4.724 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CSCCS1 125158571 NBRJALKDTSIJIT-LSDHHAIUSA-N 289.554 4.693 30 10 CJEE CCCCCCCCCCC[C@@H](CC(C)C)NN 127244582 PKLNCNHELMQSKV-INIZCTEOSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cn(C)nc1C 129274901 FZQJPZOYTFEZFP-HNNXBMFYSA-N 279.472 4.520 30 10 CJEE CCCCCCCn1cc(CNC)c2ccc(Cl)cc21 135371535 UPRQSICQSNEYAP-UHFFFAOYSA-N 292.854 4.985 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccncc1F 135848451 RCURKDVVQMGGCR-INIZCTEOSA-N 266.404 4.751 30 10 CJEE CCCCCCCCCOC(=O)c1cccc(Cl)c1N 156816045 KCLOTBMCFOBHOR-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(Br)s1 169243087 DCVZBFFCMGMPDT-JTQLQIEISA-N 288.254 4.518 30 10 CJEE CCCCCCCC(=O)N(Cc1cccnc1)C(C)(C)C 187494631 GNXFDGWDLHAKRM-UHFFFAOYSA-N 290.451 4.569 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC 190902910 POWVGBWUIZCZFK-AWEZNQCLSA-N 273.420 4.913 30 10 CJEE Cc1cccc(C)c1[C@H](O)C1(C#N)CCCCCCC1 215952404 HGVHCEQHBLZPNU-KRWDZBQOSA-N 271.404 4.591 30 10 CJEE Cc1ccccc1CS[C@@H]1C[C@@H](C)CC[C@H]1C#N 227129761 LTKHTESWQHAWDY-DUVNUKRYSA-N 259.418 4.557 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CCCO1)NCC 229505134 PBGZNGRWWGHXPH-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCc1ccccc1Nc1ccc(C#N)c(F)c1F 233362744 DTVSGLPDXANOFU-UHFFFAOYSA-N 272.298 4.533 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1SCc1ccccc1Cl 236041496 QDVLDNLSMQCEOE-FZMZJTMJSA-N 265.809 4.656 30 10 CJEE CC(=Nc1sc2c(c1C#N)CCCC2)c1ccc(C)cc1 252615408 JRYCNSKBISPZTA-UHFFFAOYSA-N 294.423 4.948 30 10 CJEE CC(=O)Nc1ccc(N=Cc2cccc3ccccc23)cc1 254817192 RRRYZQUEZFIYCP-UHFFFAOYSA-N 288.350 4.549 30 10 CJEE CCCCCCCC[C@H](NC)c1cncc(Cl)c1 308014234 OSOMFKUCGOKFDG-HNNXBMFYSA-N 268.832 4.746 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(C)cc(C#N)c2)CC1 308116335 YXWBFIBDTPHEGD-HOCLYGCPSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCNC(C)(C)CN(CC)CC 308616177 UTDQRFAERZWAQQ-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cccc(Br)c1 310574516 PDQHXKFTBQIXMD-LBPRGKRZSA-N 296.252 4.702 30 10 CJEE C[C@]1(c2cc3ccccc3s2)CCC[C@@H](CC#N)O1 312120094 ULFQHPCLAWIMTA-XJKSGUPXSA-N 271.385 4.599 30 10 CJEE CCCCCCCCCCNCc1ccc(C)c(C)n1 314741137 HPCGGPQLPJSEMW-UHFFFAOYSA-N 276.468 4.929 30 10 CJEE O=CC1(CCCc2ccccc2)CCCCCCC1 317044852 WMGVKBFPCVFWSA-UHFFFAOYSA-N 258.405 4.939 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC(C)(C)O2)CC1 317292452 KWEPHXGSQBENSM-ISXOHVOVSA-N 266.425 4.510 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(Cl)cc2c1OCC2 384986744 KDOSTDBVNQLSFT-SJKOYZFVSA-N 289.806 4.537 30 10 CJEE CCC(CC)(CC)C/N=C1/NC2(CCC(C)CC2)CS1 391364977 OEGXLPVUPVZIGL-UHFFFAOYSA-N 296.524 4.844 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cccc(Cl)c1 686681339 PAEOIRFOMVXZSS-QGZVFWFLSA-N 277.839 4.964 30 10 CJEE C#CCCCCCNc1ccc(Br)c(F)c1C 686688140 NMBAWGVHCSJKPG-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE CCCCCCCCCC(=O)c1ccnn1CC(C)C 687079462 DEOSKNVBZYTQBC-UHFFFAOYSA-N 278.440 4.863 30 10 CJEE CC[C@](O)([C@@H]1C[C@@H]1C)C1(C#N)CC(C)(C)CC(C)(C)C1 688314876 BKJNCODDOBECRP-IYOUNJFTSA-N 277.452 4.530 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)s1 688340525 CIADNGBTMIXLLH-AWEZNQCLSA-N 291.460 4.836 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCN(C)C1 690423161 WCEFMOUPLUVCJK-ROUUACIJSA-N 283.500 4.610 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(C)cc21 692215703 RVDGSABMEJKULI-QRQLOZEOSA-N 269.432 4.707 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(F)c(Cl)cc1N 692252856 OZPOPAONEFGDJQ-HZMBPMFUSA-N 282.790 4.608 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(C)c(C(F)(F)F)c1 693446608 USRMOPMSPVKITJ-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE CCCCCCCCCCCC[C@H](O)CC[C@H](C)N 702617035 OJOPLFMPANGNGI-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ncccc1Cl 703923524 AOWYMNPQTLOROJ-AWEZNQCLSA-N 282.859 4.746 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)Cc1ccc(Cl)cc1 703954334 CWAGXYZPNIAAIL-CQSZACIVSA-N 279.855 4.853 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(CN)cc1 704538206 PRTRKQWFTLCBOH-SFHVURJKSA-N 277.452 4.710 30 10 CJEE CCCCCCCN[C@@H](C)c1ccccc1OCC 705963991 FKUXKJUGLGVTQG-HNNXBMFYSA-N 263.425 4.706 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCCCC[C@H]21 708310269 KXHHEOLCWGIADG-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE C=CCCC(C)(C)CNc1nc(C(C)C)nc(Cl)c1C 709454975 LNOASOGNTKTABX-UHFFFAOYSA-N 295.858 4.966 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 710547453 JAZCNMKZZLQVLB-ILXRZTDVSA-N 257.849 4.714 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2ccc(F)cc2s1 710624605 ZUDYZIQLIYKNSS-GFCCVEGCSA-N 283.799 4.834 30 10 CJEE C#CCCC[C@H](C[C@H](CC)C(C)(C)C)NCCC 711116206 BHFZRXKWCSMEKC-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE CC(C)C(C)(C)C[C@@]1(C=O)CCCc2ccccc21 713371499 PRPCORFXJXGFOM-GOSISDBHSA-N 258.405 4.532 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714397584 SQWJUGDJJKTLHT-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CC#CCC[C@H](NCCC)c1cscc1C(F)(F)F 717207584 BQCVJKLVHCXDQL-ZDUSSCGKSA-N 289.366 4.611 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](C)[C@@H]1CCCO1 720160963 XDHQZPUWJDEXJB-ULQDDVLXSA-N 270.457 4.693 30 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30 10 CJEE N#CCc1cc(F)ccc1-c1ccccc1C(F)(F)F 1239547279 BAMYUQSZRUQKLD-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C#CCCCCCC(=O)N(CCCC)[C@@H](C)c1ccccc1 1265413913 YPNLUZOLIUMBQA-SFHVURJKSA-N 299.458 4.960 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CCCC1CCCCC1 1266595071 OUEWDABKNKLDJI-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1311226664 FQCWOPUBGCWAAR-ZIAGYGMSSA-N 298.430 4.654 30 10 CJEE CCCCCCCCCCNC(=O)C=C1CCCC1 1355758554 BYKNGLSQVKHZNS-UHFFFAOYSA-N 265.441 4.744 30 10 CJEE C=CCCCCSCc1ccc(SC)cc1 1459058580 QFIMXVWEDQSZPI-UHFFFAOYSA-N 252.448 4.998 30 10 CJEE CCCCCCCCCCN1C[C@H]2CC[C@@H](C2)C1 1460523187 DBQOAZJXQHUFJD-IRXDYDNUSA-N 251.458 4.859 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3ccncc3c2)c1 1463258276 OCQAWRYYNMYMSV-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=COc1ccc(NC(=O)NCCCCCCCC)cc1 1466813007 LUYCOFJWYPRHMK-UHFFFAOYSA-N 290.407 4.691 30 10 CJEE C=CCCCCN1C[C@H]2CCCC[C@]21c1ccccc1 1473230294 ZDVBYAOPSFQTJM-MOPGFXCFSA-N 269.432 4.744 30 10 CJEE 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283.868 4.678 30 10 CJEE C=CCCCSc1sc(CNCC(C)C)cc1C 2259047063 USPJTEWNTABFBR-UHFFFAOYSA-N 283.506 4.860 30 10 CJEE FC(F)(F)C1CC(CSC[C@@H](CS)CC2CC2)C1 2259114213 YLPJJLKBIXEIKA-MOENNCHZSA-N 298.439 4.654 30 10 CJEE C=C(C)CCCC[C@@H](O)C[C@H]1CCCCC12CC2 2259235206 MAVHAUNHTILJFZ-HZPDHXFCSA-N 250.426 4.844 30 10 CJEE C#CC(CC)(CC)NCC[C@@H](C)CCCC(C)C 2259648329 OYCDDFYRAWKEAS-INIZCTEOSA-N 251.458 4.621 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@@H](C(=O)O)C1(C)C 2263714343 WWLXSBKMWIFKEJ-BBRMVZONSA-N 254.414 4.874 30 10 CJEE C=CCCSCCCCCCCCCCC(=O)O 2264174843 YQEVWJRKDPRZEJ-UHFFFAOYSA-N 272.454 4.891 30 10 CJEE CCCCCC#CCC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264940879 NOHIKWDQJFLGSN-CHWSQXEVSA-N 274.326 4.508 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)CC=CC#CC(C)(C)C)C1 2268738436 JNSNHXUPSIDLAR-IKGGRYGDSA-N 262.437 4.560 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(C)c(C)s1 2268769255 VYYKAERCZRNSRY-OAHLLOKOSA-N 275.461 4.621 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCC2CC(F)C2)C1 2270147974 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30 10 CJEE CCC[C@@](C)(C=O)Cc1cc(Cl)c(OC)c(Cl)c1 2317890274 HIARENCRDGDWRN-CQSZACIVSA-N 289.202 4.550 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC(C)(C)CC(F)(F)F 2321228011 JIYZINRJOXNNME-AAEUAGOBSA-N 266.347 4.708 30 10 CJEE C=CCC(CC=C)SC(CCC)(CCC)C(=O)O 2327023735 CTYBRWLYWGVQGC-UHFFFAOYSA-N 270.438 4.664 30 10 CJEE C#CC(C)(C)CN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327871657 DLEODGOICGNLLZ-NSHDSACASA-N 284.230 4.612 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC[C@@H]2[C@H]1C2(F)F 2333876229 AZEQXEOCPYGBFV-RBSFLKMASA-N 273.411 4.890 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334308711 DPPCCGCBTVAVHR-XDNAFOTISA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)OCCN 2334977017 HBZRUWYSYMMOLH-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CC1(CC(=O)c2cc(C)c(OC)c(Cl)c2)CCC1 2335112516 NGUOQPSPKYCGLN-UHFFFAOYSA-N 278.779 4.586 30 10 CJEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2c(C)cccc21 2337164141 IAMQAOMUZXVCDK-STQMWFEESA-N 272.417 4.551 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(F)ccc1C(F)F 2338275577 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CC1=C(C)C[C@@H](COc2ccc(C#N)c(Cl)c2)CC1 2343446547 PYTPNTOURAGRQM-ZDUSSCGKSA-N 275.779 4.727 30 10 CJEE C=C(C)C[C@@H](Cc1cccc(C(C)C)c1)NCCC 2343742310 ZPWLRRFUIVVLPA-SFHVURJKSA-N 259.437 4.687 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1[C@H]2CCC[C@H]21)NCCC 2344336755 LMHPKADVMGZDNJ-ICUGJSFKSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1snc2ccccc12 2344358465 VHEQMPPBWWWNRR-CVEARBPZSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(C)c(Cl)cc1OC 2344463923 SMIPUICXYMQZCO-CVEARBPZSA-N 282.811 4.683 30 10 CJEE N#C[C@]1(CCC2(C(F)(F)F)CC2)CCCC12CCC2 2344824971 IQLKBDRUQZNFPG-CQSZACIVSA-N 271.326 4.973 30 10 CJEE CCC[C@H](CC)C[C@]1(C#N)CCOC12CCCCC2 2353416493 VKIZAQCTPXSDSJ-HOTGVXAUSA-N 263.425 4.836 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 2354991381 QRSGUYOZRHGHHK-SWOOZJHCSA-N 275.436 4.690 30 10 CJEE O[C@@H](C#CC1CCCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359890751 NJRPLKSZKQAIFY-OKYOBFRVSA-N 274.448 4.538 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCCCN 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C=CCC[C@H](N[C@@H](C)c1ccns1)c1ccccc1 925581385 YPCIGBPGXRFFER-ZFWWWQNUSA-N 272.417 4.501 30 10 CJEE CCOc1ccccc1C=Nc1cccc2ccccc12 1083985396 QPEBTOFLRCKBHI-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE C=CCC[C@H](NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1168656579 FNIXRVIHJHYXCW-KANFNMMFSA-N 269.432 4.720 30 10 CJEE CCCCCCCCCCN(C)C1C[C@@H]2CC[C@H](C1)O2 1172232157 FHZYWFGFSYRXBH-AYHJJNSGSA-N 281.484 4.769 30 10 CJEE C=C[C@@H](C)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1178166059 SXLRZHYADPDLIB-CYBMUJFWSA-N 289.463 4.651 30 10 CJEE C=CCCCC[C@H](C)NCCC[C@@H]1CC1(Cl)Cl 1182664764 BJYWHVUVQNKGQN-QWHCGFSZSA-N 278.267 4.685 30 10 CJEE C=CCC[C@H]1CCCN1CC/C=C\c1ccccc1 1198414425 RKOPZBZDNHDHEH-IKPBFSQCSA-N 255.405 4.521 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1CC2 1206342903 MWKXABMISGWVRR-OWSLCNJRSA-N 261.453 4.703 30 10 CJEE C=CCCCCCCCCN1CCC[C@@H](C#N)CC1 1209446339 XDWFRCCAFDSBOE-QGZVFWFLSA-N 262.441 4.529 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(C(C)(F)F)cc1 1212675258 NKKSPPUIAOUJBM-UHFFFAOYSA-N 272.298 4.722 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 1274721306 XJTYGJNQGRVSNE-BCDXTJNWSA-N 291.479 4.846 30 10 CJEE C=CCCCC(=O)NC(C)(C)c1ccc2ccccc2c1 1287429524 UDIIQJQQNUWLMV-UHFFFAOYSA-N 281.399 4.547 30 10 CJEE C#Cc1cccc(N(C)Cc2ccc(Cl)cc2Cl)c1 1307459078 ZLPVYMGJXGTVPB-UHFFFAOYSA-N 290.193 4.611 30 10 CJEE C=CCC1(NCc2cc(C)sc2C)CCCCC1 1308002498 GNCPHLPMIBOYEC-UHFFFAOYSA-N 263.450 4.734 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1353118103 QGSRYVKOGKZQSB-JKSUJKDBSA-N 287.447 4.520 30 10 CJEE C=C(C)CCC(=O)N1CCCCC[C@@H]1c1ccc(CC)o1 1353942021 GHRZWNBLMRNGFP-MRXNPFEDSA-N 289.419 4.642 30 10 CJEE C=CC1(CC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CCCCC1 1449459520 QGIQETCNXPZRJG-WMZOPIPTSA-N 291.479 4.652 30 10 CJEE C=C(C)CN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1459708157 TXRXPQZXGVGENX-UHFFFAOYSA-N 294.373 4.589 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1CCC[C@H](CC)C1 1461983196 QIAKVGGHWPQAIR-AZUAARDMSA-N 285.475 4.934 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@]2(C)CC=C(C)CC2)c1 1463259706 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C=CC[C@H](C)[C@H](NCCC)c1ccc(CSC)cc1 2108001236 LCSKHCARNTWFRI-YOEHRIQHSA-N 277.477 4.803 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21)[Si](C)(C)C 2110945213 UHPAUFSEDZGSFY-LTIDMASMSA-N 279.544 4.615 30 10 CJEE C#CC(C)(C)C[C@H](NCC)[C@H]1CCC[C@@H](CC)CC1 2111314462 SESCLHRPYOCBDW-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@]1(C)CCCCC1(F)F 2111641685 YHZZDVYXTXUOBS-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC1(C[C@H](NCC)[C@H]2CCC[C@H](C)CC2)CCC1 2111707743 HWLCDAPWVQFHHG-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H]2CC23CCCC3)CCC1 2111721987 MZCUQIRTNJJNAQ-JKSUJKDBSA-N 261.453 4.681 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)[C@H]1CCC[C@H](C)C1 2112271535 YHVYGFRJRXTBNS-JLJPHGGASA-N 256.393 4.516 30 10 CJEE C#CCCCC[C@@H](O)[C@H]1CC[C@H](CCCCC)CC1 2116830725 SXSCDCILDKSZBI-KZNAEPCWSA-N 264.453 4.928 30 10 CJEE C#CCCCCC1(CNC(C)C)CCCCCCC1 2116866570 DMOPRDUPKYVMSG-UHFFFAOYSA-N 263.469 4.909 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H]1CCCC2(CC2)C1 2116870869 PNNQUAAMJARPRO-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)CCCOC1CCCC1 2117019914 JXZKTVOGAUKGBU-KRWDZBQOSA-N 263.425 4.836 30 10 CJEE O=C[C@]1(Cc2ccc(Cl)c(F)c2)CCCCC12CC2 2117057028 XESHGCVVGMVXHR-MRXNPFEDSA-N 280.770 4.561 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc(C)nc1 2117612257 APZJOXNECXYVGQ-HZPDHXFCSA-N 262.441 4.790 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@@H](COC)CC1 2118424184 FJXDQPWHUKICNS-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C(C)CCC1(CNCC(C)C)CCC2(CC2)CC1 2120064112 MCEHUGXGYBSZKV-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1ccc2sccc2c1 2120701259 PAECNKGIYFKDKV-SUMWQHHRSA-N 272.413 4.839 30 10 CJEE O=C[C@@]1(C[C@@H](F)C2CCCC2)CCCCC12CCC2 2121600471 DICZDJPOGMDANS-WBVHZDCISA-N 266.400 4.834 30 10 CJEE C=CCCCCC(=O)c1cc(Cl)ccc1OC(F)F 2123089639 UTGLBCBBQKUKFR-UHFFFAOYSA-N 288.721 4.871 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ccc(F)c(F)c2)CC1 2125223783 RNPQHANJKBCXFV-NSHDSACASA-N 264.315 4.530 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1cc(Cl)c(F)cc1C#N 2127971211 MSXZCYUFIQZIMY-MEBBXXQBSA-N 280.774 4.731 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCOC1(C)C 2130447161 MGQDOYHZIVFMIR-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@@H](CC1CC(F)(F)C1)NCCC 2131094085 YDOAWOWUBKJRBE-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE CC[C@@H]1CC[C@@H](CC2(C#N)CCC(C(C)C)CC2)O1 2136747151 CKYQNANHCNJGFP-GMRIPVOYSA-N 263.425 4.690 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(F)cc1OC 2138154989 TYHAYRBCXMEZIU-OAHLLOKOSA-N 267.388 4.585 30 10 CJEE CCCCCC#CC[C@H](NCC)C(C(C)C)C(C)C 2138956432 LFASOOMMJVQFJH-KRWDZBQOSA-N 265.485 4.867 30 10 CJEE CCCCC#CC[C@@H](N)c1ccccc1C1CCC1 2138958647 JNAJDABOXRKKJM-GOSISDBHSA-N 255.405 4.538 30 10 CJEE CCCCC#CC[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2138963431 LRZMEHDOQKEHGC-MLHJIOFPSA-N 262.437 4.538 30 10 CJEE CCCC#CCC1(CNC(C)C)CCC2(CC2)CC1 2138994423 QODZISQKELPJGU-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CCCCC#CCN(C)C1CC(C)(C)CC(C)(C)C1 2139033543 RPXXEAIAAVYCIB-UHFFFAOYSA-N 263.469 4.717 30 10 CJEE C=CCCCCCC[C@H](NC)c1cc(F)ccc1C 2141905974 QFXFANCWYHWKSB-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=CCCCCCCOc1cc(Cl)ccc1CNC 2141921807 LVYCJTBEGRKHHA-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE C=CCCCCCCN(CC)[C@H](C)c1ccncc1 2141924805 XWFZDDLSYUQVKM-MRXNPFEDSA-N 260.425 4.601 30 10 CJEE C=CCCCCCCCC[C@]1(C=O)CCCOCC1 2142449968 GLINKSITTWGSMT-KRWDZBQOSA-N 266.425 4.679 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H]2COC[C@H]21 2143874776 DRIHFMWJOWTMLV-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2144043881 GHPVGGBGDMXKIF-FZMWSMFESA-N 278.436 4.510 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CC[C@H]3C[C@@H]3CC2)CC1 2145654976 CPGBLRMWICHGLP-FHWLQOOXSA-N 275.480 4.927 30 10 CJEE CCCCCCCCC(=O)[C@H](O)[C@@H]1CCC[C@@H](CC)C1 2147216724 BRKUYLYALZJUTB-JFIYKMOQSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](O)CC(C)(C)C 2148618155 KUAUTBOADQTVIC-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCCCCCCN(C)CCCCNC 2150552932 GLKRGYLKWUPXLT-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE CC[C@@]1(C)CCSC(=NC2CC(C3CCCCC3)C2)N1 2151212521 XAFKLLWTCMWTMT-DQPZFDDXSA-N 294.508 4.597 30 10 CJEE C=C([C@H](NCC)c1cccc(OC(F)F)c1)C(C)(C)C 2152944427 TXHZRBZSRALHFS-AWEZNQCLSA-N 283.362 4.541 30 10 CJEE CC1(C)CC(O)(CC2(C#N)CCC(C(C)(C)C)CC2)C1 2154845253 ZETSGGVWOYKDTI-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE C=CCC[C@@H](C)[C@H](CC12CC3CC(CC(C3)C1)C2)NC 2158322055 ZNGVOGRKOPMISI-ONBNRTMESA-N 275.480 4.783 30 10 CJEE CSc1cccc(N[C@H](C)C2CCC(C)CC2)c1C#N 2158441146 RFPHZEQAMFKQCL-ROKHWSDSSA-N 288.460 4.907 30 10 CJEE CCCCCCCC[C@H](N)C1(O)CC(C)(C)C(C)(C)C1 2160492877 PGKOWFZPBJPXQM-HNNXBMFYSA-N 283.500 4.642 30 10 CJEE C[C@H](CC1=CCCCC1)N[C@H](CC#N)c1ccccc1 2161401322 DTSDVAWRYUBVAF-CRAIPNDOSA-N 268.404 4.510 30 10 CJEE C[C@@H](N=C1NC2(CCCCCC2)CS1)C1CC(C)(C)C1 2161791280 OSZZNXPDKNVWGK-CYBMUJFWSA-N 294.508 4.597 30 10 CJEE CC1(C)CC(F)(F)CC[C@H]1Nc1ccc(Cl)cc1C#N 2165005127 KFJNVMRTOVNIFG-CYBMUJFWSA-N 298.764 4.838 30 10 CJEE CCCCCCCNCc1cccc(C(F)(F)F)c1F 2166822107 IFPPSXJATDWCDC-UHFFFAOYSA-N 291.332 4.905 30 10 CJEE CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2ccccc2Cl)C1 2168627675 KBUBBVIWXWITKZ-JSGCOSHPSA-N 289.806 4.733 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cnc(C(C)C)s1 2170786962 OWZLWAGDZGRPNH-HNNXBMFYSA-N 292.492 4.891 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1(C)CCC1 2172427627 VCYDERGDRXSPPW-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE CCCc1ncc(C[C@@]2(C=O)CCCC(C)(C)CC2)s1 2172972298 ZZKJDDZWSYLCFW-QGZVFWFLSA-N 293.476 4.814 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)[C@]1(C#N)CCCCC12CC2 2173618543 KAGKWKLXSKMDLN-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1nccc(C)n1 2174445902 QYLCMVIGCXCRBG-MRXNPFEDSA-N 278.440 4.739 30 10 CJEE N#Cc1cc(F)c(NC[C@H]2CC3CCC2CC3)cc1Cl 2177388155 LGFFAGJEVNHOST-GCZXYKMCSA-N 292.785 4.589 30 10 CJEE N#Cc1cc(F)c(NC[C@@H]2CCCCC23CC3)cc1Cl 2177393581 UDHWMUGIMLLERI-LBPRGKRZSA-N 292.785 4.733 30 10 CJEE CCCCCCCCC[C@H](NC)C1(O)CC(C)(CC)C1 2179318766 FNSUIFASPMOBDJ-AOCRQIFASA-N 283.500 4.656 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2C[C@H]3C[C@@H]3CO2)CC1 2179414761 FARKUENSKBUUAR-FTRJEVOPSA-N 275.436 4.548 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(O)CC(CCC)C1 2180064347 HCHUPAVIFSJXGP-LXPRWKDFSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H](C)C(F)(F)F)NN 2191511724 NBVFHWHJLLOPIQ-KBPBESRZSA-N 296.421 4.938 30 10 CJEE CCCCCCCCCC[C@]1(N)CCN(C)[C@@H](C)[C@@H]1C 2193651025 KBCKERGBAPUHTH-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE C=CC1(C[S@](=N)(=O)c2ccc(C(C)(C)C)cc2)CCC1 2194118869 KDPHMGNRGUHFMQ-FQEVSTJZSA-N 291.460 4.746 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@]12CCOC[C@H]1C2 2194488568 YGIIFZWZCJTHHW-SQNIBIBYSA-N 282.468 4.695 30 10 CJEE C[C@@H]1CC[C@]2(CSC(=N[C@@]3(C)CCCC(C)(C)C3)N2)C1 2194663849 FSYGXDSOMXESIJ-XOKHGSTOSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@]12C[C@H](CCO1)C2 2196621098 WFYZKVHPRUWDJW-KURKYZTESA-N 281.484 4.674 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNCC(C)C)CCCC12CCC2 2196837473 RASFTWJIBWYNLK-IEBWSBKVSA-N 275.480 4.622 30 10 CJEE CCCN(CC1(C=O)CCCCC1)C1CCCCCC1 2197177517 WXXOCXIWZNZWLO-UHFFFAOYSA-N 279.468 4.571 30 10 CJEE C=C[C@H](N[C@H](C)c1oc2ccccc2c1C)C1CCC1 2197826802 ZJSRVXILKKJCOF-CJNGLKHVSA-N 269.388 4.747 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2C[C@]23CCOC3)C1 2198341698 SLMDRTVZEIRDIG-KDOFPFPSSA-N 275.436 4.549 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C[C@@]23CC[C@@](CC)(C2)OC3)C1 2201950202 QFXSHPKZPOGYKA-MHORFTMASA-N 275.436 4.836 30 10 CJEE C#CCCN(C[C@@H]1CCCC(C)(C)C1)C1CCCCC1 2203243490 VSMZJCXMOANMHB-QGZVFWFLSA-N 275.480 4.861 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1CCCC1(F)F 2203811626 YCVFDYANNXMBDC-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE C#C[C@H](N[C@@H]1CCCCCCCC1(F)F)C1CCCC1 2204038938 MPKXJGCHQQTCDI-JKSUJKDBSA-N 283.406 4.516 30 10 CJEE C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)C1CCCC1 2204040000 XXQNKDXQPNOAFK-BBRMVZONSA-N 283.440 4.744 30 10 CJEE C#C[C@H](N[C@@H](c1cccs1)C1CCCC1)C1CCCC1 2204044293 OIMCOWHAGXBJSI-FUHWJXTLSA-N 287.472 4.761 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(O)CC[C@H](C(C)C)C1 2206199658 NMGBLCQLSQICQE-FUHWJXTLSA-N 282.468 4.883 30 10 CJEE C=CCCCCCC[C@@H](NCCC)C12CCC(CC1)O2 2206902325 IVMNVCLZVGKNMF-LXPRWKDFSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCCN1CCC(P(C)(C)=O)CC1 2207375981 HYVHWPFCZDAKOQ-UHFFFAOYSA-N 299.439 4.990 30 10 CJEE C=CCCCCCCCCCN1C[C@H](C)OCC[C@@H]1C 2207377315 MWIRPFRYGBFXAT-ROUUACIJSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CCOC[C@H]1C 2207397858 WINMGRWVALACAG-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCCC[C@@H](N)c1cccc(N)c1 2207402378 JSHDHXHQFVQBCO-GOSISDBHSA-N 274.452 4.966 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cc(C)nn1CC 2207404458 NQHHPDYNPMSBFO-MRXNPFEDSA-N 277.456 4.518 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@@H]1C 2207406265 WGEHWSWJLKSPJI-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)CC1CC(CN)C1 2207428179 VQQOLVPFLTWDCT-UHFFFAOYSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CO[C@](C)(CC)C1 2207433514 ALKVBZATAOJPQV-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@@]1(CNC(C)C)CCOC1 2207437745 NGNNZLJAYQKDEL-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@]1(C)CCCOC1 2207442473 RICXKJJRYHJQHM-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](CN)N(CC)CC(CC)CC 2207443572 BDMBTITWQQCBAG-SFHVURJKSA-N 284.532 4.822 30 10 CJEE CCCCCCCCCNC[C@]1(O)CCCC(C)(C)C1 2207445256 AIPKFUFYLONYJY-SFHVURJKSA-N 283.500 4.658 30 10 CJEE C=CCCCCCCCSc1cccc(CN)c1 2220084408 KYRRJKYKQBYFLI-UHFFFAOYSA-N 263.450 4.764 30 10 CJEE CCCC#C[C@@H](NCC)c1ccc(-c2cccs2)s1 2225418983 VDXKJXLWVJVTKB-CYBMUJFWSA-N 289.469 4.931 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1cc(Cl)ccc1C 2225437763 YTONBDFTIUYRKT-INIZCTEOSA-N 277.839 4.739 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCC[C@H](C)O1 2226878239 ANZJMTGZPCMZDD-YESZJQIVSA-N 269.473 4.802 30 10 CJEE CCCCCC#CC[C@](C)(O)c1ccc(Cl)c(F)c1 2227569713 REYXMAFOUUGZMK-INIZCTEOSA-N 282.786 4.660 30 10 CJEE C=C[C@H](NC[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCC1 2230651452 FGZBKBAFZJQYOM-AHCXZYCDSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCOc1nc([C@H](C)N)cs1 2231037577 NIMZQYVVZCYWOJ-ZDUSSCGKSA-N 284.469 4.682 30 10 CJEE CCCCCCCC[C@H](C)NCc1nc(CC)cs1 2231926913 AFJUTRBPWSOHGT-AWEZNQCLSA-N 282.497 4.934 30 10 CJEE C=CCCCCCC[C@@H](O)c1cccc2ccoc12 2232407994 SLAHGNAOOQQDIR-MRXNPFEDSA-N 258.361 4.993 30 10 CJEE CC(C)=CC[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 2233290643 CBQPHQCQTOZLSD-CQSZACIVSA-N 288.822 4.784 30 10 CJEE C=C(C)CC[C@@H](C)NC[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233685280 NAVLDFVITHOWSX-LVQVYYBASA-N 285.422 4.782 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1ccc(C#N)c(C)n1 2234437574 KEHAROHVEYPNDB-KRWDZBQOSA-N 274.408 4.636 30 10 CJEE CC1(C)CCC[C@H](C(=O)C2=CC[C@H](C(C)(C)C)CC2)O1 2235192469 JZQFVUXUHWWMRN-LSDHHAIUSA-N 278.436 4.676 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H](OC)C1CCCCC1 2235524753 SYOUJFGQOJMFPU-QZTJIDSGSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCOc1cc(F)ccc1C(C)=O 2235526361 KDMZDXRVUHIYBF-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1ccc(Cl)cc1 2235540305 VTZJXLCLJAOSEZ-QGZVFWFLSA-N 294.822 4.859 30 10 CJEE CC1=CC[C@@](C)(CN(C)CCCCC(C)(C)C#N)CC1 2237284371 CVURJUHFQXYIQL-GOSISDBHSA-N 276.468 4.775 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2238174383 OATRPLSCNNXTGE-CRAIPNDOSA-N 270.420 4.906 30 10 CJEE C#CCCN(CC(C)C)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2239255049 IRAJDVMGQWNXAZ-GUDVDZBRSA-N 275.480 4.574 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)C#Cc2cccc(Cl)c2)CC1 2239489838 LXYGQYRFOQMZGP-KYJSFNMBSA-N 290.834 4.659 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(N)c(OC(C)C)c1 2239513400 OECWKTRFUKCOQC-CQSZACIVSA-N 277.408 4.570 30 10 CJEE C=C[C@H](CCCCC)O[C@@](C)(CCCCCC)C(=O)O 2239513510 PDFGHUKCEQYPEX-WBVHZDCISA-N 284.440 4.952 30 10 CJEE C=C1CC(COc2cccc(CN[C@H](C)CC)c2Cl)C1 2240237040 NTPNAUWGYXXAMG-CYBMUJFWSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CCCC1CC1)NC 2240642944 RTVMJELYJICESY-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc2occc2c1 2241184341 HHUMLQYQPQXMHG-IRXDYDNUSA-N 271.360 4.576 30 10 CJEE C=CCCC[C@@H](O)c1sc(Cl)cc1Br 2242101327 DDHTXXXTSRLMEB-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE CC#CCCCC(=O)c1sc(Br)c(C)c1C 2243083618 ITLZJWZWMWXHCT-UHFFFAOYSA-N 299.233 4.504 30 10 CJEE SCCCCCCCSC[C@H]1[C@H]2CCC[C@H]21 2245901161 OOQTVCSHXHGQMI-BTTYYORXSA-N 258.496 4.646 30 10 CJEE CC1(C)CC(SC[C@H](C#N)C2CCCCC2)C1 2251085731 OQJDEFYLIRBCJD-ZDUSSCGKSA-N 251.439 4.628 30 10 CJEE C=CCCC(C)(C)CNCCCCC[C@H]1C[C@H]1C 2257318159 BYHPDQGGBLYXRJ-CVEARBPZSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@](O)(CC)c1ccc(F)cc1 2259191763 XOTOSNSLYKNDQX-MRXNPFEDSA-N 250.357 4.560 30 10 CJEE C=C(C)CCCC[C@@H]1CCCC(F)(F)[C@H]1NCC 2259231707 OCKFIMWOMMSTLW-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCCNC[C@@H]1CCCC(C)(C)CC1 2259236822 HBBNYBAILNWQLH-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE COc1ccc(Nc2ccc(C#N)c(Cl)c2)c(Cl)c1 2268008794 HBJHCYNYEDBNRN-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cccc(Cl)c1 2268751440 XXZMIGQPRWTOAP-QGZVFWFLSA-N 275.823 4.510 30 10 CJEE CCSc1cccc(SCCC2CC(F)C2)c1C#N 2270179152 YTSSGKWMZPHVDN-UHFFFAOYSA-N 295.448 4.901 30 10 CJEE C=CCCCCCCCSC[C@H](NC)[C@H]1CC1(C)C 2271597662 YICYETULUKQBQR-CVEARBPZSA-N 283.525 4.880 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H](CC(C)(C)C)OC)C1 2271600407 AUNPCXKDTRXAKK-INMHGKMJSA-N 268.441 4.613 30 10 CJEE CCCCCCCCCOc1c(C(=O)O)csc1C 2271676837 FMOGXBLADSQABP-UHFFFAOYSA-N 284.421 4.884 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C[C@H]2CC[C@H](C1)C2 2271836589 IOAJWJVBSVNEDU-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](C[C@@]12CCC[C@H]1CC2)NN 2273502510 VAXNZDWTQVFPGT-BBWFWOEESA-N 266.473 4.539 30 10 CJEE CC1(C)CCC(C)([C@H](O)CC#CC2CCCC2)CC1 2274133257 VTKKQXBCNKKCFA-MRXNPFEDSA-N 262.437 4.538 30 10 CJEE CCCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)OCCCN 2276163131 ADAOWIANDRHDIP-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@](C)(C(C)C)O1 2278127211 LYAFWCBZIYMDDC-IAGOWNOFSA-N 269.473 4.878 30 10 CJEE CCCC[C@@H](CC)CSCc1sccc1C#CCO 2278373237 WYPGGVNULKFJAZ-CQSZACIVSA-N 296.501 4.542 30 10 CJEE CCCCC#CC[C@@H](NCC)C1(C)CC(C(F)(F)F)C1 2279185524 FGPCNJXGMBOPRZ-SHARSMKWSA-N 289.385 4.527 30 10 CJEE C=CCCCCCCCCC[C@@H](Cc1cnsc1)NC 2280126561 AUEJPBYLJXVVHW-KRWDZBQOSA-N 294.508 4.971 30 10 CJEE CN[C@H]1CCCCCCC[C@H]1CC=CC#CC(C)(C)C 2284087648 FRMPAYTVSOKZLL-ROUUACIJSA-N 275.480 4.931 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CCC1CCC1 2284101482 SPJAQZTTXXCREC-GOSISDBHSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)c1c(F)cccc1Cl 2284107422 NLBQNMPBNCWELY-KRWDZBQOSA-N 293.813 4.649 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@H]1CCCC(C)(C)CC1 2284138716 DMBMFDCXIDCBQA-KRWDZBQOSA-N 275.480 4.883 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1C[C@@]1(C)COC 2284689967 IKTURDIAAHLSTN-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)C[C@]1(C)COC 2284713595 VBSRJDYKFIRJQE-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE Cc1cc(NCCCCC[C@@H]2C[C@H]2C)cc(C)c1C#N 2284952247 CFZQTORXQJEVJY-CZUORRHYSA-N 270.420 4.803 30 10 CJEE C=CCCCSCc1cc([C@@H](C)NCC)ccc1OC 2287075446 DAIQAQWTZWHBCN-CQSZACIVSA-N 293.476 4.565 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1OCCCC1(C)C)NCC 2287409675 XPMYPSYGSRBJPR-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE CCC[C@@](C=O)(CC)CN(CC(C)C)c1ccccc1 2287701877 DYJXFNBDTAEZGK-SFHVURJKSA-N 275.436 4.544 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)[C@H]1CC 2288852984 JACNXUZOSCONGH-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2288972752 BSLAMVMJNIJOGO-CEXWTWQISA-N 275.480 4.909 30 10 CJEE C=CC=CCC[C@H](CCCCCCC)OCCC(=O)O 2290688212 IFNFCMVZZQYUQQ-MRXNPFEDSA-N 282.424 4.729 30 10 CJEE C=CCCC[C@H](OCCC(=O)O)c1cc(C)cc(Cl)c1 2292037565 HXRWSQKHWKCWCU-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCCCCCCCC1(OCCCN)CC(CC)C1 2292648724 ARNSVXCRFUFXGU-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(F)cc1C 2292694008 RFIBIZWMVFYULS-QGZVFWFLSA-N 281.415 4.511 30 10 CJEE C=CCCCCCC[C@](CC)(OCCCN)[C@@H]1C[C@H]1C 2292766989 IRUFAZWRZASVML-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@](C)(OCCN)C1CCC(CCC)CC1 2292890674 FBIGYPCLSUVTOV-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@](CC)(CCCCC)OCCN)CC1 2292906384 OWSCBKJRDYHCNJ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(CCC[C@@H]1C[C@H]1C)OCCN 2293634415 KDJRLEBFDHRELN-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1C[C@H]1C1CCCC1 2293673435 PYKPVATWCRBRIL-KSZLIROESA-N 281.484 4.517 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]1CC 2293873160 KBKMWCZEEAKIFV-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CC(C)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1 2294869075 NTQPRIYRPKGPNO-UHFFFAOYSA-N 290.366 4.582 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](N)(C#Cc2ccccc2Cl)C1 2295227707 XYNCENGUJWDWNV-QAPCUYQASA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@@H](CCCC)C(=O)O 2295687135 QTRCLCYULHXLOZ-DOTOQJQBSA-N 285.472 4.736 30 10 CJEE O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccsc1 2297444602 FHNQLTHBMNDCIL-UHFFFAOYSA-N 297.404 4.768 30 10 CJEE Cc1ccccc1C=C1CCCc2ccccc2C1=O 2297454660 ACZBCHAUHNAVHQ-UHFFFAOYSA-N 262.352 4.598 30 10 CJEE CC=CC(=O)c1sc2ccc(Cl)cc2c1C 2297630979 LSEBKFOHZSJDGD-UHFFFAOYSA-N 250.750 4.622 30 10 CJEE C=CCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2301018358 YZRRUWRYIPLKQR-GFCCVEGCSA-N 272.219 4.528 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1ccc(Cl)s1 2301746702 RQZGTAADOXQJHR-JTQLQIEISA-N 261.777 4.556 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1c(N)ccc(Cl)c1Cl 2315446401 FLUVDXOIICDGPD-JOYOIKCWSA-N 285.218 4.732 30 10 CJEE C=CCC(CC=C)NCCc1ccc(Cl)cc1Cl 2316676916 MDFURXPGBYLREB-UHFFFAOYSA-N 284.230 4.646 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2316706668 WWYNPTGKSIRGPV-OAHLLOKOSA-N 285.214 4.969 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)c(Cl)cc1C 2319286173 HEUGBAAINXWNSK-INIZCTEOSA-N 265.828 4.964 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)C1CC(CC)C1 2321095712 LKNNOPSZSCEWRD-BACDZXNISA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)c(C)cc1F 2321111917 BJYCSAXPWWTOIB-BMIGLBTASA-N 269.791 4.650 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1sc2ccccc2c1C 2321140439 HNSFZHSDDZREBC-HNNXBMFYSA-N 259.418 4.812 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CCC[C@@H]1C(F)(F)F 2321147926 LEPWRTLQXLLXTN-QWRGUYRKSA-N 262.315 4.527 30 10 CJEE C=CCCCCCCNCC[C@H]1CCC(C)(C)C1 2321612593 CJPAMMKXWCMPRS-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE C=CC[C@@H](CC[C@H]1CCC(C)(C)C1)CNC(C)C 2321619146 JKUHTIJGEVRKIJ-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@](C)(SCC1(C)CC1)C(=O)O 2327181832 MANJQVSIZKVESZ-OAHLLOKOSA-N 272.454 4.724 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)c1ccccc1Cl 2327284353 XWRZFFINXUXMPD-HNNXBMFYSA-N 285.884 4.758 30 10 CJEE CCCCCCCCCCCC[C@@H](N)CC1(C)OCCO1 2328079116 CGOFOTVGQOPJCY-QGZVFWFLSA-N 299.499 4.778 30 10 CJEE CCCCCCCCCCC1(O)CC2(CSC2)C1 2328251135 OMHQTZMKDWCFQY-UHFFFAOYSA-N 270.482 4.775 30 10 CJEE CCC(=NOCc1ccc(C)cc1)c1ccc(F)c(C)c1 2330277682 YOUZZJOKKAPBNK-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=CC(C)=O 2333100219 GWLGWWOKIBLQJF-LZLYRXPVSA-N 260.421 4.930 30 10 CJEE O=C[C@]1(C(F)(F)F)[C@H]2CC3(CCCCCC3)CC[C@H]21 2333151494 SHWFQZVPQJSUSY-MBNYWOFBSA-N 274.326 4.505 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cnc(C(C)(F)F)s2)C1 2335671017 AKZDKGCNUMPRJD-YGRLFVJLSA-N 284.375 4.517 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(F)cc1C 2337101719 MDJIKUOGNXBQBK-VBQJREDUSA-N 261.384 4.530 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCC(C)(C)C1CCCCC1 2337107541 UOIAORUEQVQMMD-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)OCCCCCCCN[C@H](C)CC 2337926235 UHESYZAZMAVTMB-MRXNPFEDSA-N 269.473 4.696 30 10 CJEE C=C1CCC(CC(=O)c2ccncc2C(C)C)CC1 2338565230 YJAOENIBVLSPQV-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE C=CCC(CC=C)[C@]1(N)CC[C@@H](C)c2ccccc21 2338727560 MAJJKLWFRZPVCV-RDTXWAMCSA-N 255.405 4.506 30 10 CJEE C=CCC(CC=C)[C@]1(N)CCCC2(CCCCC2)C1 2338730639 SEGPMIJEBYQFAC-SFHVURJKSA-N 261.453 4.977 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2338748547 YVHJPTFVSYLYEU-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(F)c(C)c1C 2340962601 DVWUQZVAXVWFPJ-QGZVFWFLSA-N 263.400 4.753 30 10 CJEE C=CCCCC[C@H](C[C@H]1CC[C@@H]1C1CC1)NCCC 2342332710 GZXJJAPTDLIQGX-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE CN(CCCCCCCS)C[C@H]1CC[C@H]1C(C)(C)C 2343168940 NSTBNCSBXVXPFE-HZPDHXFCSA-N 285.541 4.871 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(C)(C)OC)NCCC 2344379893 PRUVXLAYXPBSPG-NVXWUHKLSA-N 269.473 4.552 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cnc(C2CC2)s1 2344380788 LYYATIZLMDAUJE-CQSZACIVSA-N 278.465 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@H](C#CC1CCCC1)NCCC 2344382473 GEJYYJOKOJGNFQ-ROUUACIJSA-N 261.453 4.541 30 10 CJEE C#CC[C@H](CC(=O)c1c(Cl)cc(C)cc1Cl)C1CC1 2353119785 NUOCRURBCHYGRA-GFCCVEGCSA-N 295.209 4.924 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCC2(CCCC2)C1 2353841378 NIGNKUIGTFBSDP-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE COc1ccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1 34806445 NEDCOCFMBGWGCE-AUWJEWJLSA-N 294.394 4.889 30 10 CJEE N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 36930355 SMRQJJGYNOVYEU-HNNXBMFYSA-N 295.407 4.507 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1F 36954340 WYQPQHHINJZMHE-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=CCSc1nc(Cl)c2c3c(sc2n1)CCCC3 39294792 XBUGMWYGHXBSKK-UHFFFAOYSA-N 296.848 4.502 30 10 CJEE c1ccc2c(c1)N/C(=N\C1CCCC1)C1(CCCCCC1)N2 46153027 WLAMMNNFKVEFNK-UHFFFAOYSA-N 297.446 4.958 30 10 CJEE Cc1cc([C@@H](C#N)Nc2ccccc2Cl)c(C)s1 49687532 SJQFCLISRDDUCT-CQSZACIVSA-N 276.792 4.695 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](c1ccccc1)C(C)C 50429978 RAAIEGOXHUJJPM-SFHVURJKSA-N 264.372 4.676 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2ccccc2C)c(C)c1 57686962 ZOYVIKBUOZNNTE-KRWDZBQOSA-N 279.383 4.688 30 10 CJEE Cc1ccc(OCCCC[C@H](C#N)c2cccc(F)c2)cc1 57688436 QVIDBRJDQXCZMM-QGZVFWFLSA-N 297.373 4.991 30 10 CJEE N#C[C@@H]1CCCC[C@H]1c1c(Cl)cccc1Cl 62625242 XKLPYYKEMLQFJQ-VHSXEESVSA-N 254.160 4.791 30 10 CJEE CCCC[C@@](C#N)(CC)Nc1ccccc1Br 69381380 QWUPEQOILBQDLT-CQSZACIVSA-N 295.224 4.724 30 10 CJEE CC1CCC(CCNc2ccc(C#N)cc2Cl)CC1 78806614 DJJXXOXOHKVPDS-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC[C@@]1(C)CS/C(=N\c2ccc(-c3ccccc3)cc2)N1 80884257 FWQVDPMDLMALMT-SFHVURJKSA-N 296.439 4.846 30 10 CJEE N#CC1(C[C@@H]2Cc3ccccc3S2)CCCCC1 92273541 LDRCYOFKXIIUJO-AWEZNQCLSA-N 257.402 4.568 30 10 CJEE CCCC(CS)(CCC)CN(CC)[C@@H](C)CC 94578970 YGSJGGGQPCWJMC-AWEZNQCLSA-N 259.503 4.623 30 10 CJEE CCCCCCCCCCNCc1cccc(O)c1 106283879 RAHUGBNOKKSZSR-UHFFFAOYSA-N 263.425 4.623 30 10 CJEE C=CC[C@H](CC)c1cccc(Br)c1C 107511222 RMHMWXKCLPMCBC-NSHDSACASA-N 253.183 4.827 30 10 CJEE CC#C[C@H](C)[C@H](C)c1ccc(OCC)c(C(C)C)c1 107598964 CJJVGOCQHICWOV-GJZGRUSLSA-N 258.405 4.972 30 10 CJEE CCCCCCCCCCOc1cc(F)ccc1N 109685685 YQWADOLPKFCZDA-UHFFFAOYSA-N 267.388 4.927 30 10 CJEE CCCCCCCC[C@@H](Cc1cccc(C)c1)NC 109731758 BTTGIPGLLDBAEL-SFHVURJKSA-N 261.453 4.876 30 10 CJEE N#Cc1cnc2ccccc2c1Nc1ccc(Cl)c(F)c1 110255636 ZGIHXPPGJSHCRR-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CC1(Nc2ccc(C#N)c(C(F)(F)F)c2)CCCCC1 110257360 YBHDWQLSZXYBIX-UHFFFAOYSA-N 282.309 4.712 30 10 CJEE CCCCCCCC[C@H](Cc1ccccc1OC)NC 112893661 TXDYTIBRXNTKKL-QGZVFWFLSA-N 277.452 4.576 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(SC)cc1 122412987 QAFWVHFTKVWLET-INIZCTEOSA-N 280.481 4.664 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(OC(C)C)cc1 123055479 QDKQTALGANUGFZ-SFHVURJKSA-N 292.467 4.729 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cccc(C)c2o1 124977987 ANJIVVSJRQQPQZ-HNNXBMFYSA-N 274.408 4.606 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1c(F)cccc1F 127718567 INPKRXUIZLZLFH-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H](OCC)C1(C)C 129260846 BWUWMRDSSCTZHU-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](OC)C1CCCCC1 131106119 JLKYUVRKHROIQV-ZWKOTPCHSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCCCCC(=O)c1ccnn1C 135647122 KSDAULIENPZZNR-UHFFFAOYSA-N 278.440 4.914 30 10 CJEE CCCCCCCCOc1cccc2cccnc12 138199243 WJOVBMWUSIXIQK-UHFFFAOYSA-N 257.377 4.974 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)COC)NCCC 140351767 UFIHLPNUQRGDGE-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCCCCCC[C@H]1CC(C)(C)CC[C@@H]1C(=O)O 149584020 PDMQLYJMILDDDQ-KBPBESRZSA-N 254.414 4.874 30 10 CJEE C=C(C)CC[C@H](NCCC)C12CC3CC(CC(C3)C1)C2 159192411 RCMPQVUZLIMZHJ-NNGLDNROSA-N 275.480 4.927 30 10 CJEE N#Cc1ccc(CSc2ccc(F)c(F)c2)c(Cl)c1 163427620 JTYPRFQKAYSIPK-UHFFFAOYSA-N 295.741 4.782 30 10 CJEE CCCCCCCCCCC[C@@H](NCC)c1nccn1C 166124350 YBTXSPJFYQAJAJ-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE C=CCC[C@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2 228817042 PYMUJSHTSABIEC-LNOPCHKWSA-N 261.453 4.536 30 10 CJEE Cc1cccc(N[C@@H]2CCC[C@@H](C(C)C)CC2)c1C#N 232719499 SAYJYKFUWRCHLE-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCCCCC[C@@H](C)OCc1cc(F)ccc1C#N 232972249 WOEBVXGVSLQLKT-CYBMUJFWSA-N 263.356 4.573 30 10 CJEE CC1=C[C@H](C)C[C@H](CNc2cc(C#N)ccc2Cl)C1 235393816 UXNFDGUIRWIIFK-FZMZJTMJSA-N 274.795 4.616 30 10 CJEE Cc1cccc2c1ccn2CCCCC(C)(C)C#N 235773789 SUOKQJMTJYWFAO-UHFFFAOYSA-N 254.377 4.670 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 300439004 VQKDCQGKWJPOLA-QLFBSQMISA-N 288.822 4.982 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1sccc1Cl 305895834 HSWDPEXRTDAHKZ-ZDUSSCGKSA-N 283.868 4.882 30 10 CJEE N#CC1(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCCCC1 311346186 MIURIZZUESGNLJ-UHFFFAOYSA-N 299.157 4.627 30 10 CJEE Cc1cc(Nc2ccc(F)cc2C#N)c(Cl)cc1F 311364688 PPYWPGMXNVZQLM-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)CCC(C)(C)C)cc1 312172184 YHJYVJWINJZFJO-MRXNPFEDSA-N 271.404 4.813 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCSC)C1 320015029 VRHLXWZRPJRZJZ-MCIONIFRSA-N 285.522 4.827 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 320095044 VEOTYIJSVHHTCV-MISXGVKJSA-N 269.310 4.995 30 10 CJEE CC[C@@H](C1CC1)N(C)CCCCCCCCCS 325005699 AWAZUJZAXNOERH-INIZCTEOSA-N 271.514 4.767 30 10 CJEE N#C[C@]1([C@H]2C=CCCCCC2)CCCc2ccccc21 381864000 YDNVMHUOYCGIJK-HKUYNNGSSA-N 265.400 4.921 30 10 CJEE Cc1cc(C)cc(N=C2N[C@@H](C3CCCCC3)CS2)c1 386199321 RHCVTVAMPVOHCF-MRXNPFEDSA-N 288.460 4.576 30 10 CJEE CC(C)CC(C)(C)C/N=C1/NC2(CCC(C)CC2)CS1 391231015 XJRQTUVGJUQOGD-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE CC(C)C1CCC(C#N)([C@](C)(O)CC(C)(C)C)CC1 395022802 NRFBGIRQIVTSMI-ARWYELJZSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)C(C)(C)COC 395460127 FDUOEIZURSNWTO-HNNXBMFYSA-N 258.446 4.551 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cc(C)sc1C 398137081 XWUKAPBVESBYJS-YPMHNXCESA-N 251.439 4.760 30 10 CJEE CCCCCCCCC[C@H](O)CCC[C@@H]1CCOC1 400673081 GZRLZUWUGVICIQ-SJORKVTESA-N 270.457 4.695 30 10 CJEE N#CCc1ccc(F)c(-c2cc(Cl)ccc2Cl)c1 514262691 YESVSXSKSXNNIS-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCCCCO[C@H]1C[C@H]2CC[C@@H](N2)[C@H]1C 686080475 AYGISBOBXKVUQQ-TVFCKZIOSA-N 281.484 4.673 30 10 CJEE C#CCCCCC[C@@H](O)c1cc2cc(F)ccc2s1 686676588 JXJKELKDFNSIJG-CQSZACIVSA-N 276.376 4.658 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CCCC[C@@H]1C 686696252 YGONUBCJGQGFAU-ROUUACIJSA-N 263.469 4.766 30 10 CJEE N#C[C@H](CNc1ccc(C2CCC2)cc1)C1CCCC1 690091979 DLBUHMMXLAAAQU-QGZVFWFLSA-N 268.404 4.696 30 10 CJEE Cc1c(Cl)cc(NCCCCCC#N)cc1Cl 690286476 UNUHCPPQZFZVHR-UHFFFAOYSA-N 271.191 4.798 30 10 CJEE C=CCC1(Nc2ncnc(Cl)c2C(C)C)CCCC1 690724531 UGTPCERIQYRSNG-UHFFFAOYSA-N 279.815 4.554 30 10 CJEE C=CCC1(Nc2c(Cl)cc(N)cc2Cl)CCCC1 690745777 WZCCGNKSSNRKPP-UHFFFAOYSA-N 285.218 4.876 30 10 CJEE CC[C@H](C)c1ccccc1O[C@@H](C)CC(C)(C)C#N 695864948 PSWZQGPBTUEWIE-KBPBESRZSA-N 259.393 4.907 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)CC(C)(C)C 696083438 GZGJJCKJJRVBBH-HOTGVXAUSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@@H](NC)c1c(F)cncc1F 699001856 BPKRTDSYLXCDQT-OAHLLOKOSA-N 284.394 4.761 30 10 CJEE Fc1cc(Cl)cc(OCC2(CS)CCCCC2)c1 703733119 NHNYCJZAOLJPKL-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE CC(C)CCC[C@@H](C#N)Nc1ccccc1Br 703963020 FUAPCTNUGWAEBN-LBPRGKRZSA-N 295.224 4.579 30 10 CJEE CCCCCCCCCCN(C)CC(O)(CC)CC 706386898 ZBYSPVMLMFLFIZ-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE C[C@@H](CNc1ccc(C#N)c(Cl)c1)CC(C)(C)C 709247532 KXDMTLOTVFNWTR-LLVKDONJSA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccccc1C(C)(C)C 710640187 GBJACIDTXMOGSD-HNNXBMFYSA-N 265.828 4.777 30 10 CJEE CCCCCCCCCCN(C)[C@@H](C)CNCC(C)C 714684542 JOZYUXVYUMJDLX-SFHVURJKSA-N 284.532 4.693 30 10 CJEE CCCCCCCC(=O)C[C@@H]1C[C@H](C)O[C@H](C)C1 724879000 BVTZMEPGMRVCGW-FICVDOATSA-N 254.414 4.510 30 10 CJEE CCOc1cccc(N=Cc2cccn2-c2ccccc2)c1 1084023731 WCXOPMLEIUTHMW-UHFFFAOYSA-N 290.366 4.627 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)c(Cl)c1 1207705514 ZTXMJDUOJVZRHE-GDBMZVCRSA-N 273.807 4.702 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@H](C(C)C)CC1)c1ccccc1 1265230156 WTMWDQYFRVAIJQ-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=C(C)CCC(=O)N[C@H](C)c1cc(Cl)ccc1Cl 1269716265 OSNQHVQBIMKQLD-SNVBAGLBSA-N 286.202 4.527 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCCC)C1CCCCC1 1274157566 LNZWOXJGYFDPSX-HNNXBMFYSA-N 265.441 4.550 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC1CCCCCC1 1278997525 FHCPIGXUHQEJSK-ROUUACIJSA-N 291.479 4.988 30 10 CJEE C#CC[C@@H]1CCN(C(=O)C[C@H](C)CCCCCCCC)C1 1280468101 PJUIACWEWSFSIV-QZTJIDSGSA-N 291.479 4.635 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C\c2cccc(F)c2)c1 1289567372 XRZZBTGYAUXASF-KTKRTIGZSA-N 281.330 4.511 30 10 CJEE C=CCCC1(CNc2nc(Cl)c(C#N)s2)CCCC1 1307164804 ZLWQPKWBXOZWRN-UHFFFAOYSA-N 295.839 4.607 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 1308846548 SRTKSTQBRQFOTK-CRAIPNDOSA-N 257.421 4.707 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)c1nccc2ccccc12 1308928679 SFTJEDOSEUGAOS-OAHLLOKOSA-N 282.431 4.878 30 10 CJEE C=C[C@H](CC(=O)O[C@@H]1CC[C@H](C)C[C@H]1C)c1ccccc1 1360576977 QAFJUZUBUPTUSG-BVIKNXMNSA-N 286.415 4.714 30 10 CJEE C=CC(C)(C)CCNC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C 1437998867 FKOKNVSDSVEGLP-GDKFBDMESA-N 291.479 4.724 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1Nc1ccccc1 1446591015 YHCMFFHUJHFXJI-UHFFFAOYSA-N 280.371 4.725 30 10 CJEE C=C[C@](C)(CC)C(=O)N(CC)C[C@@H](CC)c1ccccc1 1459231448 VZVMFOKXCQOSBC-VQIMIIECSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)c1ccccc1 1459507899 DRFJJNDYZRFTRQ-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1cccc(CC(C)C)c1 1459694314 HMJJCKYQMHJPPS-VQIMIIECSA-N 299.458 4.556 30 10 CJEE CC(C)[C@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)CC1 1462122933 BUNOIFGDIQRYTB-VYMRPNJYSA-N 276.468 4.653 30 10 CJEE CCCCCCCCCN1CCc2ccc(F)cc21 1473435676 GZEKSAPHRGOMEP-UHFFFAOYSA-N 263.400 4.939 30 10 CJEE C=CCC1(CNC2CCC(C(C)C)CC2)CCCC1 1474145108 JCIRDNVVZLQMKX-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCCc3c(C)cccc32)C1 1474221043 YCZUHZPKFUXZNR-JTDSTZFVSA-N 269.432 4.707 30 10 CJEE C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 1520420648 ONULXCPCYRLRAE-JTQLQIEISA-N 299.197 4.647 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)oc1C 1520519737 IWLCPHHLJWPJIB-CQSZACIVSA-N 297.398 4.730 30 10 CJEE C=CCC1(C(=O)Oc2cc(C)ccc2C)CCCCC1 1522272015 SJVZGPAAGIBKDY-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C=CC1(CC(=O)Nc2ccc(C)cc2C)CCCCC1 1523697188 SYFGRZVNLQSZSD-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc2c(c1)C=CCCC2 1532880936 KCAXGVJEQHELSM-UHFFFAOYSA-N 269.388 4.577 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 1534190648 WCTAXAIBPYDGIR-GJZGRUSLSA-N 279.468 4.557 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H](C)CCC)c1ccccc1 1536282834 FRSSCRZBRGUXGQ-RDJZCZTQSA-N 273.420 4.636 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C)Cc3ccccc32)CCCCC1 1537497811 UPCKLABPADUZRS-MRXNPFEDSA-N 297.442 4.738 30 10 CJEE C=CCCCN(CC)C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1539022210 BYZSQYAOONCSCL-JKSUJKDBSA-N 279.468 4.654 30 10 CJEE C=CC1(CC(=O)N2CC=CC23CCCCC3)CCCCC1 1557702954 NLHBFXRFXKEASB-UHFFFAOYSA-N 287.447 4.614 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 1560967287 CUFJQMMNZFQWJK-UHOSZYNNSA-N 287.447 4.631 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C(/C)c1ccccc1C 1565858311 IAEZJTZBXQDEGL-ICFOKQHNSA-N 285.431 4.603 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CCCC1 1586149449 PGEUNDNSPWDDTP-HOTGVXAUSA-N 293.495 4.948 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C(F)=C/C1CCCCC1 1587775967 DEMQIBUKGYXGEV-QINSGFPZSA-N 281.415 4.529 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc2cc(C)ccc2c1 1616984263 GLBHKTHTJWSZSI-SFHVURJKSA-N 268.356 4.656 30 10 CJEE C=CCCC[C@H](C)NCc1csc(-c2cccs2)n1 1620875760 QXXNYIRJTDANOP-LBPRGKRZSA-N 292.473 4.706 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)c1 1628033641 GNWBEMPMDIJOPG-KSSFIOAISA-N 286.419 4.810 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@H](C)C1 1635814402 IBBWMFXMMBDPMA-DLBZAZTESA-N 294.483 4.591 30 10 CJEE C=CCC[C@H](Nc1cc(CCCC)ncn1)c1ccccc1 1639670801 RUEPKWLMRXFWQI-SFHVURJKSA-N 295.430 4.939 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)/C(C)=C/C2CCC(C)CC2)C1 1641029712 JGSCZEBJNIQKEM-UUXQZOHNSA-N 289.463 4.574 30 10 CJEE 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4.538 30 10 CJEE CC(=NOCc1ccc(C)cc1)c1ccc(OC(C)C)cc1 2330467547 PNXGVNZJNRFCRC-UHFFFAOYSA-N 297.398 4.723 30 10 CJEE CCCCCCCCC[C@@H](C[C@@]12CCC[C@@H]1C2)NN 2331363783 RLJPCOUSFDIBTF-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE CCCCCCCCC[C@@H](CCC[C@@H]1C[C@@H]1C)NN 2331446685 YTPIAEUBLILVON-BBWFWOEESA-N 268.489 4.785 30 10 CJEE CCCCCCCC[C@@H](C[C@@]12CCCC[C@@H]1C2)NN 2332355649 HHEZPACIRHTLOW-IKGGRYGDSA-N 266.473 4.539 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335112758 RHTGJUKZTVOPHF-ABAIWWIYSA-N 281.827 4.520 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cnc(C(C)(F)F)s1 2335674992 UAVYVFOVVZELNZ-AWEZNQCLSA-N 286.391 4.907 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(F)c(C)c1 2337106819 MRJRDLOFPPUTNZ-CKEIUWERSA-N 261.384 4.530 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2338739774 YVHJPTFVSYLYEU-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CC[C@H]1C(C)(C)C 2343142822 XMXZFEZTKYWODU-HUUCEWRRSA-N 260.421 4.624 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1C[C@H]2C[C@@H]2C1)NCCC 2344335783 CNSYWGSHRJYFRT-XSLAGTTESA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC12CCC2)NCCC 2344337742 UBPILPCXFDKZOI-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@H]1CC[C@@H]1C1CC1)NCCC 2344369622 RUTUQWNBQQXQJR-HPBDAGMYSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@](C)(CC)CC=C 2344375348 BSRLEBBVZUORJI-IRXDYDNUSA-N 266.473 4.727 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1cc(F)ccc1Cl)NCCC 2344380962 TXQXQICNVRCKTL-WBMJQRKESA-N 283.818 4.602 30 10 CJEE CCC[C@@H]1CCCCN(C[C@](C)(CS)C(C)(C)C)C1 2352079040 JEOGLNBMWFHKQI-NVXWUHKLSA-N 285.541 4.871 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(O)C[C@@H]2CCCC[C@@H]21 2353987847 BUXKLCSWKTTXMR-XYJFISCASA-N 280.452 4.637 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2[C@@H]3CCC(F)(F)[C@@H]32)CC1 2355991071 NWSJCJJQSQOUHH-XUXIUFHCSA-N 282.374 4.619 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC[C@@H]1C[C@@H]1C)NCC 2358712340 BWGHJHOIVYHEOZ-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCC#C[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360220305 UIEHJHVXKMTNEU-INIZCTEOSA-N 293.838 4.501 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153982 LPPGCMULUPQTTF-MISXGVKJSA-N 288.441 4.717 30 10 CJEE CCCC(C#N)(CCC)Nc1cccc(Cl)c1 37937178 COTRUJAXDFXHLQ-UHFFFAOYSA-N 250.773 4.614 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1ccc(C(F)(F)F)cc1 37970135 RCJBGPAGINEHNW-OAHLLOKOSA-N 296.336 4.582 30 10 CJEE C[C@@H]1CC[C@@H](Nc2cccc(OCCCC#N)c2)[C@H](C)C1 68625335 IPQPGDDRSQGIBH-IIDMSEBBSA-N 286.419 4.606 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426701 UNMNKQLYDCBUSL-YRGRVCCFSA-N 294.851 4.936 30 10 CJEE Cc1nc(CC2(C#N)CCC(C(C)(C)C)CC2)cs1 89272736 JSMWHDVBDSMLPG-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE CCCCCCCNC[C@@H](C)Oc1c(C)cccc1C 100027347 ZVEBFYJVXSCIGO-QGZVFWFLSA-N 277.452 4.631 30 10 CJEE CCCCCCC[C@H](Nc1ccccc1F)C(=O)OCC 110320841 XMFKOVUYVUHUBL-INIZCTEOSA-N 295.398 4.530 30 10 CJEE CCCCCCCc1n[nH]c(N)c1-c1ccc(C)c(C)c1 110465754 AMLMYEIVQNEEGX-UHFFFAOYSA-N 285.435 4.789 30 10 CJEE CCCCCCCCCC[C@@H](CSCC)NC 114861195 YAKJYSALCROTDX-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCCn1c(CNC(C)(C)C)cnc1C 115674153 DZKGJROWTOHVKD-UHFFFAOYSA-N 293.499 4.830 30 10 CJEE CCCCCCCCCCN[C@@H](C)CCC[C@H](C)C(=O)O 115733158 SLIVEGOEMHNUJU-IRXDYDNUSA-N 299.499 4.996 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cc(C#N)cc(Cl)n1 122562751 CPPPPWNPQXWKJT-LLVKDONJSA-N 286.762 4.912 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1cc(C#N)cc(Cl)n1 122570729 OSFXVGKOPSEKDF-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCCCCNCc1ccncc1Cl 124847725 BKZABIPSDODNFT-UHFFFAOYSA-N 282.859 4.965 30 10 CJEE CCCCCCCCCc1noc(N)c1-c1ccncc1 127327381 FDUYHTAAHDRUMQ-UHFFFAOYSA-N 287.407 4.612 30 10 CJEE CCCCCCCCCC[C@H](O)CCc1ccncc1 135556491 LBTMONWAYWGMJB-SFHVURJKSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@@H](O)Cc1ccc(F)c(F)c1 147464671 HDXABIBQBDLHLP-CQSZACIVSA-N 270.363 4.619 30 10 CJEE C=C(C)CN[C@@H](c1ccccc1)c1ccc(C)cc1C 163648570 IKSUXOWYJJRZTA-IBGZPJMESA-N 265.400 4.559 30 10 CJEE C=C(C)CC[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C 164950490 LZBYTTXXFOLDAF-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE N#C[C@@H](Sc1ccccc1F)C1CCCCCC1 167875221 PLKRRGPYIDBQMJ-OAHLLOKOSA-N 263.381 4.780 30 10 CJEE O=C1/C(=C/c2ccccc2)CC[C@H]1Cc1ccc(Cl)cc1 169450140 NMFZBGCRNTWPFG-MOKGIYGOSA-N 296.797 4.945 30 10 CJEE CCn1cc(/C=N/Nc2ccc(C)c(C)c2)c2ccccc21 169876811 NNUUONMSAFZKAW-UDWIEESQSA-N 291.398 4.724 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 212151155 PISYZPPNEUVADH-YESZJQIVSA-N 263.469 4.927 30 10 CJEE CCC1CCC(N(C)[C@H]2C[C@@H](CC)CC[C@@H]2C#N)CC1 217941639 SCFJRGAJHDEDNT-MWOZMSIYSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 224197931 DOKRJCVDUSFNRF-IGKNDFSCSA-N 290.495 4.994 30 10 CJEE CCCC[C@H](CCC)Nc1sc(C#N)c(N)c1C1CC1 226162948 LXDYJEUKKCQNEY-LBPRGKRZSA-N 291.464 4.850 30 10 CJEE C=CCC[C@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C 228819963 BUQKEDAPADCGTJ-BBRMVZONSA-N 265.828 4.981 30 10 CJEE CCCCCCCCCCC[C@H](COCC)NCC 229792679 CVFKIFLLCKCHNS-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 232729877 MJKSVMYMPAOODW-KGLIPLIRSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@H]1NCCc2cc(OC)ccc21 232931262 MJGQIBVKWIRTLV-GOSISDBHSA-N 275.436 4.633 30 10 CJEE C=CCCCCC[C@H](Cc1ccccc1F)NCCC 233163642 YZADUJQOTJIKGP-QGZVFWFLSA-N 277.427 4.873 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(C)c(Br)c1 235805646 XHMRXWPVXQOYRV-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)c1ccccc1C(=C)C 238159008 XQNFCQGWPOTJIA-UHFFFAOYSA-N 273.376 4.647 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@H]1C(C)(C)C 250810335 HFBMVSBBGOVBKJ-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@@H]1C(C)C 250838005 WDUXCSYTLDHXDH-GUDVDZBRSA-N 296.543 4.691 30 10 CJEE CC(CCc1ccc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1)=NO 252472142 MXHGXTLZFHHOGL-SUNYJGFJSA-N 289.419 4.673 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 253046241 PSEWFKPZBPVMGH-ATIWLJMLSA-N 283.500 4.775 30 10 CJEE CC(=Nc1ccc(N=Nc2ccccc2)cc1)N(C)C 254573593 VTYHYOJCQPQZRE-UHFFFAOYSA-N 266.348 4.714 30 10 CJEE CC(=O)Nc1ccc(N=Cc2ccc3ccccc3c2)cc1 254875488 WEGWCMMMXRITPB-UHFFFAOYSA-N 288.350 4.549 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 308054055 KEKYBEPBWWMUQL-GOEBONIOSA-N 291.822 4.979 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1ccc(Cl)cc1C#N 308730655 SHXKXTJMIAAANE-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE CCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)CC#CC(C)(C)C 312219707 ZNICJNMYFKXRBI-IXDOHACOSA-N 277.496 4.867 30 10 CJEE CCC1CCC(C=O)(C2C[C@H](C)C[C@@H](C)C2)CC1 316779189 FZMWTPPRGPKCJP-LXTOLFJKSA-N 250.426 4.844 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2cccc(Cl)c2Cl)C1 316822753 PJMLGGCHAHZEBU-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE C[C@H]1CC[C@](CC#CC(C)(C)C)(CNC(C)(C)C)C1 317976469 HIKBDBCAFXRCAR-YJBOKZPZSA-N 263.469 4.621 30 10 CJEE CSCCSCCCCCCCCCS 320606238 PYJDNLAICRYSST-UHFFFAOYSA-N 266.541 4.743 30 10 CJEE O=C(CC/C=C\c1ccccc1)C1=CCCCCC1 324187394 UBLZBNRCRZGTNW-WQLSENKSSA-N 254.373 4.940 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCCCCCC#N)c1 385394352 UCXJSQSPTDJUFD-UHFFFAOYSA-N 259.393 4.755 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CCC)C(C)(C)C 387008514 AQULUDUUSKNAHE-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE CC1CCC(CC/N=C2/N[C@H](CC(C)(C)C)CS2)CC1 393561324 OOQLMYQLTWTPTJ-YMAMQOFZSA-N 296.524 4.700 30 10 CJEE CCCCN(CCCC)C[C@@H](C#N)C1CCCCC1 397342340 MVTDCRXCIGIEGC-QGZVFWFLSA-N 264.457 4.609 30 10 CJEE CC(C)[C@H](C#N)CN(C1CCCCC1)C1CCCCC1 397560945 WMIKLYDDMAEXDJ-MRXNPFEDSA-N 276.468 4.750 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1CSC1 404605647 BZJPRHVDEXYTMA-INIZCTEOSA-N 271.514 4.858 30 10 CJEE CCCCCCCCCC(=O)CCNC(=O)OC(C)(C)C 405671670 UPRHVXMJXBZUBX-UHFFFAOYSA-N 299.455 4.611 30 10 CJEE N#Cc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 575341399 WFILPGSXWXVBRQ-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE C=CCN(C(=O)CC/C=C\c1ccccc1)c1ccccc1 606168669 KCWDZCPCFQKPCD-LCYFTJDESA-N 291.394 4.699 30 10 CJEE CC(C)(C)N1CC[C@@H](c2ccc(C#N)cc2)c2ccccc21 616585720 HCBCBBFLNFVQKU-KRWDZBQOSA-N 290.410 4.699 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)nc(C(C)C)n1 692242331 NXSLMEUDMVIWFE-CHWSQXEVSA-N 293.842 4.800 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C)cc1C 692271245 GYBWPTPAQAEASU-WMZOPIPTSA-N 257.421 4.528 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cnc(Cl)n1C 696448142 JGUAUMKQRVMYFR-CQSZACIVSA-N 299.890 4.865 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CCCCC[C@@H]1N 702475162 HIQOCCRIHXDNNQ-SQNIBIBYSA-N 283.500 4.786 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)[C@H]1CC2CCC1CC2 704041382 VKNOKRXXGRMXJJ-ZGRYLRDCSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC[C@](C)(N)C(C)(C)OC 704924011 YDTGQBFYKMKXSJ-INIZCTEOSA-N 257.462 4.660 30 10 CJEE CCCCCCCNc1snc(N)c1-c1ccccc1 705926536 JHEDHMFBWWKITC-UHFFFAOYSA-N 289.448 4.775 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C)c1Cl 715704432 JQMLJKPXIXZVRI-IUODEOHRSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@@H]1CCCCC[C@@H]1CNCC(C)C 715788315 PXEXYCQPMHZLGH-BBWFWOEESA-N 251.458 4.641 30 10 CJEE C=CCCCCC[C@@H](O)c1cscc1C(F)F 717180310 QBHLHZXDYQQGJP-GFCCVEGCSA-N 260.349 4.856 30 10 CJEE C=CCCC(C)(C)n1c(=S)[nH]c2cc(C)c(OC)cc21 717666862 UVOFKKMJXBDARL-UHFFFAOYSA-N 290.432 4.717 30 10 CJEE 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297.240 4.699 30 10 CJEE C=C(C)CCN[C@@H](Cc1ccccc1)c1ccccc1F 1192699132 RPBGYHXRBNJDBF-IBGZPJMESA-N 283.390 4.665 30 10 CJEE C=CC[C@@H]1N(Cc2ccsc2Cl)CCCC1(C)C 1193920896 QGLDNSKMVJSVEH-ZDUSSCGKSA-N 283.868 4.968 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc2nc(O)n(C3CC3)c2c1 1207271587 XFMKDXUPYLNBLT-CYBMUJFWSA-N 299.418 4.624 30 10 CJEE C=C(C)c1cccc(NCc2ccc(Cl)cc2O)c1 1207741023 AXWLRGQFSXQQKL-UHFFFAOYSA-N 273.763 4.691 30 10 CJEE C=C(CC)CN[C@H](C)CC12CC3CC(CC(C3)C1)C2 1308817560 GOQZBFFCGLXTLL-CZVCLPBNSA-N 261.453 4.537 30 10 CJEE C=CCCC[C@H](C(=O)Oc1ccc(F)cc1)c1ccccc1 1348375531 WASOJQWJZNYZLM-SFHVURJKSA-N 298.357 4.871 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccccc1C(C)(C)C 1354054156 DEYHIVYBRPODKH-UHFFFAOYSA-N 287.447 4.803 30 10 CJEE C=C1CCC(CNC(=O)[C@H](CC)CCCCCC)CC1 1439153901 WFPIVHOQWQOBEH-QGZVFWFLSA-N 279.468 4.846 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(OC2CCCC2)c1 1441073309 KNVBDKZGGJWLHG-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](C)c1oc2ccccc2c1C 1442119173 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261.400 4.638 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@]1(CO)C(F)(F)F 2223773460 AFFWAMNSELABDT-OLZOCXBDSA-N 266.347 4.688 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2225338257 VLKFRWXXOZZTEI-MHORFTMASA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@]1(C(=O)O)CCC[C@H](C)O1 2226866913 RWLOLCQVBPSTPP-GOEBONIOSA-N 270.413 4.540 30 10 CJEE C=CCCCCCCCN[C@H](C)Cc1ccccc1 2227274353 UIKXSQRIZQQOHO-QGZVFWFLSA-N 259.437 4.734 30 10 CJEE C=CCCCCCCCN(C)C1CCP(C)(=O)CC1 2227522208 JJNVAIPIJHINPD-UHFFFAOYSA-N 285.412 4.600 30 10 CJEE CCCCCCC[C@@](C)(O)c1ncccc1C1CC1 2228783113 OQJZDLVNJAJRRZ-QGZVFWFLSA-N 261.409 4.527 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 2230658856 JHZIAFJSVYWIRK-HSFUPAIVSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCO[C@@H]1CCC(C)(C)[C@H]1NC 2230993671 GWUDBBGJPOTZKB-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCOc1cc(NC)ccn1 2231036848 TWLYQLNJDWBCSB-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCC[C@@H](C)NOCC(F)(F)C(F)F 2231945130 CEUDUFVZDXVJKV-LLVKDONJSA-N 287.341 4.547 30 10 CJEE C=CC1(NC[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCCC1 2233658901 HCSGHQHOLLQMJR-QKDCVEJESA-N 283.406 4.536 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2233792514 UUNJCQFWBJWQEN-BSDSXHPESA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCCOC[C@H](CC1CC1)NCC 2234045552 APOMJICNDUTDLO-SFHVURJKSA-N 281.484 4.698 30 10 CJEE CC[C@H](C)C[C@](C#N)(CSCCCC1CC1)NC(C)C 2235459035 YMZQKMPAWLNIPQ-RDJZCZTQSA-N 296.524 4.606 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H](O)C1(CCC)CCC1 2235537627 DITXZZBOAOJUCF-IRXDYDNUSA-N 281.484 4.562 30 10 CJEE C=CCOc1ccc([C@@H](O)CC2(C)CC(C)(C)C2)cc1 2236522652 ZTRFGPKQLUHGHE-INIZCTEOSA-N 274.404 4.501 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2236729149 GVKTWNJAJYCGTP-MHORFTMASA-N 295.536 4.880 30 10 CJEE CCCCCCCCCCCOC[C@H]1CCCN[C@@H]1C 2239486223 DLSRYOKDELGDMN-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE C=C[C@H](CCCCC)OCCC(C)(C)CNC(C)(C)C 2239500601 JUURAXGGBXANLU-MRXNPFEDSA-N 283.500 4.942 30 10 CJEE CCCCCCCCCCCOCC12CCC(CC1)N2 2239554243 JDCOSYSEKUSOJG-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1CC[C@H](COC)C1 2240614601 SCUBOGCZIOEIPC-SQNIBIBYSA-N 284.484 4.941 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)C[C@H]1C=CCCC1 2240640540 RGXOVTQMTUWBIX-BZSNNMDCSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1COc2ccccc21 2240641857 GAUFFGSRFMDNEK-WBVHZDCISA-N 275.436 4.849 30 10 CJEE C[C@H]1CC[C@@H](CSCCCB2OC(C)(C)C(C)(C)O2)C1 2241574937 DRJWUQXMRPGXNV-UONOGXRCSA-N 298.301 4.638 30 10 CJEE CCCCCCCC1(O)CCC2(CCS2)CC1 2250862979 YPZAQUGOJLIZNH-UHFFFAOYSA-N 256.455 4.528 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cc(Cl)c(OC)cc1Cl 2255409354 RUUXJFMVCIFQSA-OTYXRUKQSA-N 288.218 4.604 30 10 CJEE C=CCCCS[C@H](C)C(=O)c1ccc(C)c(C)c1 2259001128 KFPPQMMRBKXNJM-CQSZACIVSA-N 262.418 4.574 30 10 CJEE C=CCCCCCCCS[C@]1(C)CCC[C@@]1(C)O 2259002594 ZERXRALAHBTAAT-HZPDHXFCSA-N 270.482 4.940 30 10 CJEE C=CCCCCCCCCSC[C@@H]1NCC[C@H]1C 2260368145 MISKXOQGTUPAIC-CVEARBPZSA-N 269.498 4.634 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C=O)CCCSC2)C1 2261132751 PLRFKONIFRKIBB-XUJLQICISA-N 268.466 4.551 30 10 CJEE N#CC1(Sc2cccc(F)c2)CCCCCCC1 2263165929 AJWLUCXYTRZLMT-UHFFFAOYSA-N 263.381 4.924 30 10 CJEE CC1(C[C@@]2(C#N)CCCC23CC3)CC(C(F)(F)F)C1 2264694881 ACLONUUGIORIPM-ORHYLEIMSA-N 271.326 4.829 30 10 CJEE C=CC[C@](C)(NCC[C@@H]1CCC[C@H](C)C1)C(F)(F)F 2265094635 UHJMTLQPPSCYNR-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE CC1(C)CC[C@H]1C[C@]1(C#N)CCc2ccccc2C1 2266267097 BXPAGNLLIWHTIB-WMZOPIPTSA-N 253.389 4.512 30 10 CJEE C=C1CC([C@@H](CC[C@H]2CCCC23CC3)NCCC)C1 2266647265 NBHNJCZCGXHFFN-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE CCCCCCCCCNc1cccc(CO)c1C 2268327365 XLYGWUPLLQDZFN-UHFFFAOYSA-N 263.425 4.650 30 10 CJEE CC1=CCC[C@H](C)[C@@H]1C(=O)CC=CC#CC(C)(C)C 2268748088 LRMHVZWMUBWVNT-DOTOQJQBSA-N 258.405 4.544 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CC1CCCC1 2268751813 CQAJANUIVAHVLC-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE CC[C@@H](CC(F)(F)F)C(=O)CC=CC#CC(C)(C)C 2268763200 WUWGUMSCDJFKRQ-LBPRGKRZSA-N 274.326 4.530 30 10 CJEE C=CCCCCCCCSC[C@H](NCC)[C@H]1C[C@@H]1C 2271595779 BQBMLISGDABMCC-ULQDDVLXSA-N 283.525 4.880 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCC=C1C 2277286380 BNZGWWKAEJGLBD-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCCC=C1C 2277373851 HGJQCKXVFHTZFS-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CCCCC12CC2)NN 2279564874 XDMWFWUEOQOKCK-SJORKVTESA-N 280.500 4.929 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc(Cl)c1OC 2283174257 PLRYEZMHXSBYCK-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE CCCCCC#CC[C@H](NC)c1c(F)cc(C)cc1F 2283501407 CUCVAVWBTCVXRY-INIZCTEOSA-N 279.374 4.508 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCC[C@H]2CCCC[C@H]21 2284115988 PSXDGVZQZCCPBQ-LMMKCTJWSA-N 273.464 4.670 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1(CC)CCCC1 2284158947 MMCGNOVUKUIACZ-QGZVFWFLSA-N 275.480 4.931 30 10 CJEE CCCCCCCC[C@H](NN)c1nccc2sccc12 2284290054 GZCYXYRSUFTUOE-AWEZNQCLSA-N 291.464 4.551 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C#N)CCCCC23CC3)c1 2284616864 GNTDUVNIINJNLE-QGZVFWFLSA-N 289.806 4.755 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@@H]1C[C@]1(C)COC 2284659944 QYDXOIUBONYFCK-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(N)c1c(C)cc(OC)cc1C 2285064879 LVATUSPFOYUXMW-GOSISDBHSA-N 277.452 4.846 30 10 CJEE C#CCCCCOc1cc(C)c(Cl)cc1[C@@H](C)NCC 2286454466 WUMIKELVVOEMLA-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(C)c2ccccc2n1 2287391712 FMONIIGSFAQKMY-GOSISDBHSA-N 269.388 4.713 30 10 CJEE Cc1cc(C#N)nc(NCC[C@H](C)CCCC(C)C)c1 2287930618 UADVFWJIKVSQPH-CQSZACIVSA-N 273.424 4.526 30 10 CJEE CC(C)CCC[C@H](C)CCN[C@@H]1CCCCC[C@@H]1C#N 2287988853 IJRDNURGEWBFLQ-RCCFBDPRSA-N 278.484 4.901 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(C(C)(C)C)c1 2289312259 AQBJIGCULXSIJI-HOCLYGCPSA-N 272.436 4.926 30 10 CJEE CCCCCCC[C@H](C=C1CCCC1)OCCC(=O)O 2291541110 QLLCUBXXKUKAPT-MRXNPFEDSA-N 282.424 4.707 30 10 CJEE CCCCCCCCC[C@@H](CC1CCC1)OCC(=O)O 2291707844 OZABBGZDTZEADL-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)[C@@H](CC)C(C)C 2292721284 ULMIWCZHIRBOTA-JKSUJKDBSA-N 284.440 4.665 30 10 CJEE CC#CCCCC[C@](C)(CCCCCCC)OCCN 2292828450 NAVBLCVWBWMIQN-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@H]1C(C)C)OCCN 2292876587 RJFULMHRPBVULR-OKZBNKHCSA-N 283.500 4.763 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCCC[C@H]1C(C)(C)C 2293362746 HMVUBWYEASMQIP-MAUKXSAKSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC12CCC2 2293463854 PZDKJVPLAGBVEG-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCCCCCC[C@H](CCC[C@H]1C[C@H]1C)OCCN 2294494223 LGNIWFYGIYWXFN-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](CC(C)(F)F)CO1 2295535890 ICAILJVKPXIXJC-ZBFHGGJFSA-N 291.426 4.877 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@H](OC)C1 2295685977 CMTAYIFUXAMVMA-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCc1cscc1Nc1cccc(Cl)c1C#N 2302874987 CMEVBMXIOFTCNI-UHFFFAOYSA-N 262.765 4.579 30 10 CJEE C=CCN(CC(=C)Br)C[C@H]1CCC(C)=C(C)C1 2303594442 HIAGDOQSZYESPN-HNNXBMFYSA-N 298.268 4.520 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(Cl)cc(F)c1Cl 2304028816 SDYSQTDTZRBUJR-OQPBUACISA-N 276.182 4.605 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2C[C@H]1C[C@H]2N 2308987752 UELZSSXNTFPNDN-CAOSSQGBSA-N 255.421 4.593 30 10 CJEE CCCCCCC[C@](C)(O)C[C@H]1CC[C@@H]2C[C@@H]2C1 2309157122 WFXGSJIOFJEXMW-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@@H]2CC[C@H]1C2 2312111054 AOFNWIZQKLINEV-IXDOHACOSA-N 251.458 4.857 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCC[C@H]1C(F)F 2313060112 ZFWNYDURWMBVLC-COMQUAJESA-N 255.352 4.778 30 10 CJEE CCCCCCCNC(=O)C=Cc1cccc2ccccc12 2313540807 VRJDTOJINWLDLT-UHFFFAOYSA-N 295.426 4.940 30 10 CJEE N#C[C@@]1(C(CC2CC2)CC2CC2)CCC(F)(F)C1 2313584121 NOSWBEXKSCQQDU-CQSZACIVSA-N 253.336 4.532 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NC 2321106874 BFWQVLLGBHWISQ-QSJFSLAZSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc2sccc12 2321235585 YBBUWEWTAGISLB-CVEARBPZSA-N 260.402 4.927 30 10 CJEE N#C[C@@]1(CCC2(C(F)(F)F)CC2)CCCC12CC2 2321547747 QTEYEAZAQYAWHP-ZDUSSCGKSA-N 257.299 4.583 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2325208110 UBDUKWYAYCYMRR-XPTSAGLGSA-N 290.209 4.995 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329199859 VOXUMUHBFJGFTO-YJNKXOJESA-N 273.411 4.616 30 10 CJEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(C)cc1 2330450564 HACILKLQKSZRHB-UHFFFAOYSA-N 291.753 4.728 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H](CC)O1 2333960984 RTZBNJCDSAPLRD-IKGGRYGDSA-N 269.473 4.673 30 10 CJEE CC1CCC(CSC[C@H](C#N)c2ccccc2)CC1 2335355785 KDUGIJDHBDYJAV-DQPZFDDXSA-N 273.445 4.853 30 10 CJEE CCN[C@H](C#CC1CCC1)c1cc2sc(C)cc2s1 2337439431 NADXVMBHBLNSDS-CYBMUJFWSA-N 289.469 4.725 30 10 CJEE CC=CC[C@](C)(CCCCCCCC)OCC(=O)O 2338488104 SPTRLYYJLSQLLK-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE Cc1ccc(C#N)cc1NCCCC1=CCCCC1 2341058443 DMKHNWIHKNTHRF-UHFFFAOYSA-N 254.377 4.559 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccccc2C2CC2)C1 2341743949 DKJFAKGUMYRSIC-KBXCAEBGSA-N 253.389 4.827 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2341888666 LJNDUOPLMNIPEX-DGCLKSJQSA-N 289.728 4.586 30 10 CJEE C=C(C)C[C@@H](NCCC)c1nc(C)c(C(C)(C)C)s1 2341932004 VOFTXSHRPAGWIO-CYBMUJFWSA-N 280.481 4.756 30 10 CJEE C=C1CC([C@H](C[C@H]2CC[C@@H]2C(C)(C)C)NCCC)C1 2343286590 JIEUQUOQNBSHGL-PVAVHDDUSA-N 263.469 4.783 30 10 CJEE CCC#CC[C@H](NCCC)c1cccc(C(C)C)c1 2343611247 RFHKSYFZTQESJA-SFHVURJKSA-N 257.421 4.654 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1cccc(F)c1F 2344335886 DMCZRRHJZYHDTK-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc2cc(C)ccc2o1 2344467110 KJJQUDJPGIZHMZ-DLBZAZTESA-N 258.361 4.767 30 10 CJEE CCC[C@@H](CC)C[C@@]1(C#N)CCOC12CCCCC2 2353416494 VKIZAQCTPXSDSJ-HZPDHXFCSA-N 263.425 4.836 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2358286702 SFRPRXQYBKTPET-QKPAOTATSA-N 285.422 4.782 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)C[C@](C#N)(NCCC)C1 2360329744 GQYXQASHERJPLE-NXOAAHMSSA-N 294.508 4.525 30 10 CJEE N#Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 19887293 UKEDGDGINXCQRS-JFIYKMOQSA-N 290.341 4.524 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(F)c(Cl)c2)c1 20001495 WJYBNFASMUVQLZ-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CC1CCC(/N=C(\O)C23CC4CC(CC(C4)C2)C3)CC1 21973782 MQHHXFJNIHDHEC-UHFFFAOYSA-N 275.436 4.738 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccs1 35736858 SQJKIEKFNGULKH-VIFPVBQESA-N 296.317 4.812 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2C)C1 37665777 IVUFKQJRXRGHSA-OFQRWUPVSA-N 259.418 4.806 30 10 CJEE CC(C)[C@H](N[C@H](CC#N)c1ccccc1)c1cccs1 55018337 BZLVCXJZEFHZQW-WBVHZDCISA-N 284.428 4.690 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccccc2)c(C)c1 57684467 YHZSJCOETWOOLZ-SFHVURJKSA-N 279.383 4.770 30 10 CJEE Cc1ccc(C[C@@H](C#N)c2c(C)cc(C)cc2C)cc1 57723384 PONBECUBWKZQFI-SFHVURJKSA-N 263.384 4.770 30 10 CJEE CCCc1oc(-c2ccccc2OC(C)C)cc1CC#N 77081260 PONVUEIRJCPSBG-UHFFFAOYSA-N 283.371 4.752 30 10 CJEE CC(C)c1ccc([S@](=O)[C@H](CC#N)c2ccccc2)cc1 84260458 YPSCIBUKXYJHDN-WIYYLYMNSA-N 297.423 4.573 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87996690 PDHOWJURVAOECR-DOMZBBRYSA-N 297.320 4.848 30 10 CJEE N#Cc1ccc(Cl)cc1NCC1CCCCCC1 89557573 FAWALQDQMVWDOB-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)c2ccc(C)cc2)CC1 91877460 DFCUHSKVKZTUPY-CUYAVPTFSA-N 285.431 4.703 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc2ccccc2c1 92129541 QKGJUVXUIBDVSU-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CC[C@@H](C)c1ccc(NCc2cc(C#N)cs2)cc1 93685934 GKHXUGKYCKXOBV-GFCCVEGCSA-N 270.401 4.745 30 10 CJEE N#CC1(Cc2cc(F)cc(Br)c2)CCCCC1 94004371 PSLLWDQWMSUDSY-UHFFFAOYSA-N 296.183 4.605 30 10 CJEE Cc1cccc(CSC[C@@H](CS)c2ccccc2)c1 94589554 QLFMAUBCHBVTDJ-QGZVFWFLSA-N 288.481 4.942 30 10 CJEE CCCCCCCCCCNC(=O)CCc1ccccc1 106651067 XPKLXQVHRGQULD-UHFFFAOYSA-N 289.463 4.876 30 10 CJEE CC#CC[C@@H](C)c1cc(Cl)c(C)cc1OCCC 107622329 UCDPFUPAQPABDB-GFCCVEGCSA-N 264.796 4.954 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2ncccc2c1 109013552 UQBPNJRCTNOUOB-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCC[C@](C)(NC1CCCCCC1)C(=O)OC 110321332 WASAIEGGAULXTF-SFHVURJKSA-N 297.483 4.591 30 10 CJEE CCCCCCCCCN(CCC)[C@@](C)(CC)CN 110464609 RLLRRRNRPGLEOS-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1CNC(C)C 111762118 OZHWFFUVUHQBMM-GOSISDBHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCC[C@@H](C)CNCCOC 113497341 FUWBSVGGPYFFHL-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@@H]1CCOC1 115761460 QSPHPMXRBKWVDX-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCc1nc(-c2ccc(O)cc2)no1 115858661 DBRFFFTXYWJRJP-UHFFFAOYSA-N 288.391 4.735 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2cccc(Cl)c2o1 125079504 WQMQWIWJHCNVQU-CQSZACIVSA-N 294.826 4.951 30 10 CJEE CCSc1cccc(Nc2cc(C#N)ccc2C)c1C#N 136656136 JRIVNKVADVNVQA-UHFFFAOYSA-N 293.395 4.594 30 10 CJEE CCCCCCCCCC[C@@H](N)CC[C@H](C)OC 143460624 KMBOTSPFQKRGMN-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cccc(F)c1F 148743880 ZBZRYQMWUWOOGP-CQSZACIVSA-N 270.363 4.619 30 10 CJEE C=CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 156094646 FJJHCEWKGOKERH-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 162648573 ILKHYEOUDZKEIP-HOTGVXAUSA-N 265.400 4.969 30 10 CJEE Cc1ccc([C@H](Nc2ccc(C#N)cc2F)C2CC2)cc1 168290747 HUTXYUSOWXSFFX-SFHVURJKSA-N 280.346 4.569 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 184884296 KJTVNCJVZGABED-CQSZACIVSA-N 259.393 4.659 30 10 CJEE O=C(/C=C\c1ccccc1)c1cc(Cl)cc(Cl)c1 199671514 FCWYDPFFVNMCIH-SREVYHEPSA-N 277.150 4.890 30 10 CJEE CC/C(=N\O)c1ccc(O[C@H]2CCCC[C@H]2CC)cc1 215966422 SBKPIODKRBDACG-QYJJOZJTSA-N 275.392 4.623 30 10 CJEE CCCCCCCC[C@@H](Cc1nccs1)NCCC 228724366 NEIUTFAJLCFXAY-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=CC[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 228822638 XHDRLWVAPFYMOE-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccnc2ccccc12 229597584 YQIRBZULYKKWEM-QGZVFWFLSA-N 284.447 4.855 30 10 CJEE CCCCCCCCCCn1cc(C(C)=O)cc1C(=O)O 229631966 HZMHVMOYNLYNPA-UHFFFAOYSA-N 293.407 4.530 30 10 CJEE CCCCCCCCCC[C@H](CC(C)(C)OC)NC 230966059 NICAYMJHWBYGJZ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=CCCCCC[C@@H](Cc1c(F)cccc1F)NCC 233537471 NZJUKXFHVCNTIR-AWEZNQCLSA-N 281.390 4.622 30 10 CJEE C=CCCCCC[C@H](NC)C1(OCC)CCC(C)CC1 233707347 MRJNLFHPNPACDS-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1ccc(C#N)cc1Cl 234001371 VSFTWRZHVPBVCA-WCQYABFASA-N 264.800 4.838 30 10 CJEE C=CCN(CC=C)C(=S)Nc1ccccc1[C@H](C)CC 243866125 RKDYYZQVRIYVEW-CQSZACIVSA-N 288.460 4.571 30 10 CJEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CC1=Nc1ccccc1 256882197 UNELJYXELGIDJV-DLBZAZTESA-N 292.426 4.690 30 10 CJEE CC(C)(C)C#CC[C@H](O)C1CCC(C(C)(C)C)CC1 311436021 RZSWSYIJDBUDEL-GPANFISMSA-N 264.453 4.639 30 10 CJEE CC1(C)CCC(CNc2ccc(C#N)cc2Cl)CC1 311618746 WWMJJRODOMXMKE-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE N#Cc1ccc(COc2ccc(Cl)cc2F)c(Cl)c1 311652791 UJKYJWNIFICBIP-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCOc1cccc2c1[C@@H](NC)CC2 313461692 DDDWFJMHPDKZGM-INIZCTEOSA-N 275.436 4.633 30 10 CJEE CCc1ccc(C[C@]2(C=O)CCC[C@H](CC)C2)s1 316859294 OWBSIGMNIWRARX-BBRMVZONSA-N 264.434 4.639 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 316950751 CCDSSLLKINZGMJ-RDTXWAMCSA-N 258.405 4.532 30 10 CJEE CCCC1CCC(C=O)(Cc2ccccc2F)CC1 317257981 PTEWNKBNIKEYGY-UHFFFAOYSA-N 262.368 4.544 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H](C)CCCC 380591890 XWDKIBFRSRTNMN-ROUUACIJSA-N 284.532 4.965 30 10 CJEE C=CCCCCC[C@@H](NCC)c1sccc1F 383531124 QYHZJJGPKXHPJS-CYBMUJFWSA-N 255.402 4.674 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCc2cc(Cl)ccc21 386470762 HEJHUWZQTDMDOU-OAHLLOKOSA-N 263.812 4.519 30 10 CJEE CCCCCCCCCN[C@H]1CC2CCC1CC2 386889317 XOYQWMHHJGHKSY-JCYILVPMSA-N 251.458 4.905 30 10 CJEE C=C(COCCC)[C@@H](NCC)C1CCC(CCC)CC1 387568868 MIRRQECODBPWCS-DAWZGUTISA-N 281.484 4.554 30 10 CJEE CC[C@H]1CCCC[C@@H]1C1(C#N)Cc2ccccc2C1 388794160 NJBRZBIRBRNRSL-YOEHRIQHSA-N 253.389 4.512 30 10 CJEE CCCCCCCc1nc(CC)n(Cc2ccccc2)c1N 393805095 PRANOQQJQZYWEV-UHFFFAOYSA-N 299.462 4.589 30 10 CJEE Cc1cc(Cl)cc([C@@H](C#N)Nc2ccccc2C)c1 395211674 KNMWOWOGXYNZBD-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCCCCCCCC[C@H](CCOC(C)C)NC 395420526 WTILUMOFPLOSDZ-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE CCC/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCC1 396649000 JGLJYVGRWHYJTD-OWBHPGMISA-N 264.218 4.535 30 10 CJEE CCCCN(C[C@H](C#N)C1CCCCC1)[C@@H](C)CC 397372544 SNZAAPNOQQVQNZ-RDJZCZTQSA-N 264.457 4.607 30 10 CJEE Cc1cc(C#N)ccc1Sc1nccc2ccccc12 401653573 ICARMTOOIJYAJT-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 403655941 KRNQOXJNESKIAI-IXDOHACOSA-N 297.552 4.871 30 10 CJEE CC(C)(CC[C@@]1(C=O)CCCc2ccccc21)C1CC1 406159071 ZGPJSKYUUVSCSV-LJQANCHMSA-N 270.416 4.676 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(c1ccc(Cl)cc1)C(C)C 466418694 ZVTICXMHFYEHPC-CYBMUJFWSA-N 279.811 4.684 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](c1ccccc1C)C(C)C 466433391 BUCCFXQJEITULQ-SJLPKXTDSA-N 287.447 4.753 30 10 CJEE N#Cc1ccc(Nc2cccc(SC(F)F)c2)cc1 690187173 VKLFRFCUMXUKNV-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE C=CCC1(Nc2nc3ccccc3cc2C)CCCC1 690707190 WPTDYSNMJAIMQM-UHFFFAOYSA-N 266.388 4.844 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@@H]1CC2CCC1CC2 691773774 RHNDCCQOAMXFMK-ZGUYJTEBSA-N 263.469 4.641 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(C1CCC1)C1CCC1 692274780 FRZPAGSLPAIPPG-WMLDXEAASA-N 261.453 4.680 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@@H](C2CCC2)CCC1=O 695977802 TVUWOEXWGDQJJC-HOTGVXAUSA-N 278.436 4.702 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)CCC(C)(C)C)C[C@@H](C1)C2 697269848 MINUQMPWIMCSSW-VPSFDDGASA-N 263.469 4.926 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCOC2CCCCC2)C1 701400060 XWVWSSZMWDAQCB-NVXWUHKLSA-N 266.425 4.511 30 10 CJEE Cc1ccc(CNc2cccc(C(C)C)c2)cc1C#N 701822937 KSMPSVYTOMAAKV-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CCCCCCCN[C@@H]1CC(C)(C)Oc2ccccc21 703717825 PNIGOESTIBGYTM-MRXNPFEDSA-N 275.436 4.849 30 10 CJEE N#CC1(Cc2ncccc2Cl)CCCCCCC1 703883647 ZCBVIOMYJQNSCW-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CC1(c2ccccc2)CC1 704045303 WENAULRUOJNSGG-MAUKXSAKSA-N 256.389 4.504 30 10 CJEE C#C[C@H](N[C@H](CCC)c1ccc(Cl)cc1)C(C)(C)C 705329759 CJYHIUSAVVYIDW-CVEARBPZSA-N 277.839 4.819 30 10 CJEE CCCCCCCN[C@@H](C)c1c(C)cc(C)nc1C 705965544 QNKYJFOCGZDURR-HNNXBMFYSA-N 262.441 4.628 30 10 CJEE C[C@H]1C[C@@H](N(C)CC2(CS)CCCC2)CC(C)(C)C1 708583192 FBFHPEJJNUYTJW-LSDHHAIUSA-N 283.525 4.623 30 10 CJEE C=CCSC[C@@H](NCC)c1cccc(Cl)c1Cl 708675691 YBRYHLTVGDOHQU-GFCCVEGCSA-N 290.259 4.563 30 10 CJEE C=CCCSCCNc1ccc2ccccc2c1 710159441 IDYPHPWEWHLXLP-UHFFFAOYSA-N 257.402 4.561 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1cccc(C)c1)C(C)(C)C 711151510 YJEGLOOYJJHLDF-HZPDHXFCSA-N 271.404 4.634 30 10 CJEE CC(C)(/N=C1/NC2(CCCCCCC2)CS1)C1CCC1 713286947 VSTPNQZPAWVTKP-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1sc(C)cc1C 719474433 UAPPJOGVLYWMJO-GJZGRUSLSA-N 263.450 4.589 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(Cl)c(F)c2)CC1 724549860 QPZFIINFVYLWRN-HNNXBMFYSA-N 267.775 4.615 30 10 CJEE CC(C)C(C/N=C1/N[C@@H](C2CCCC2)CCS1)C(C)C 725091420 ZDKGYKWMVRQOFU-MRXNPFEDSA-N 296.524 4.556 30 10 CJEE CCCCCCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C 791885513 QHUSLQYGDQPVNF-STQMWFEESA-N 293.373 4.536 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@H]2C=C[C@@H]1C2 829365742 BQKVOEKNONLOSQ-GVDBMIGSSA-N 250.426 4.844 30 10 CJEE C=CCCCCN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 1167116987 ZIALBQGBVOUBOV-YESZJQIVSA-N 261.453 4.633 30 10 CJEE C=CCCc1ccccc1NCc1cc(F)c(F)c(F)c1 1178553102 MTJDZQUKKXQFIX-UHFFFAOYSA-N 291.316 4.835 30 10 CJEE C=CCC[C@H](CC)NCCc1c(OC)ccc2ccccc12 1183755797 VYEKQIPQUIQSON-KRWDZBQOSA-N 297.442 4.725 30 10 CJEE CCCCCCCCN(C)Cc1nc2c(s1)CCCC2 1191358755 PMPHAEWHLSUWDZ-UHFFFAOYSA-N 294.508 4.814 30 10 CJEE C=CCCC[C@H](NC[C@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 1197378340 XLNHYXQOERFIPI-NQYYFHDYSA-N 269.432 4.720 30 10 CJEE C=CCCC1(CNC(=O)N(CC)[C@@H](C)C(C)C)CCCC1 1230917462 DFVFSBCKKOYTEH-INIZCTEOSA-N 294.483 4.589 30 10 CJEE CCCCCCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1266263648 QAQZKCMNWHTMGO-CVEARBPZSA-N 279.468 4.702 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cccc(Cl)c1F 1267323502 FJOUUKXGIYOSDO-BONVTDFDSA-N 284.758 4.686 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc2sc(C)nc2c1 1308950336 FWMBIGRTKHKMOE-GFCCVEGCSA-N 260.406 4.761 30 10 CJEE C=CCCCCCN(C)C(=O)Nc1ccc(C(F)F)cc1 1311252841 OWJGTXCWKBHXGO-UHFFFAOYSA-N 296.361 4.834 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 1435157842 XPUNCQVZFGXIFP-YLQAJVPDSA-N 291.822 4.510 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C(F)F)cc1F 1436191214 UKHIUMSPXLNLRU-UHFFFAOYSA-N 299.336 4.630 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(Oc2ccccc2F)c1 1439311165 NKVRYNHBPSWYTN-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CCCCCCCNC(=O)[C@]1(c2ccccc2)CC1(C)C 1459914739 PLDZWTCLERNZSG-HXUWFJFHSA-N 299.458 4.607 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 1462161329 GRMQXPDWBLTCDB-WFASDCNBSA-N 285.353 4.581 30 10 CJEE C=CCCCCCCCNC(=O)OCC1CCCCC1 1463819688 MMDWHHGFRDAYKU-UHFFFAOYSA-N 281.440 4.820 30 10 CJEE C=C1CCC(CNC(=O)Nc2cccc(C(C)C)c2)CC1 1465046879 CDBYPUBAPHHVMD-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCC[C@@H]1C=CCC1 1466315608 NWWNKUUZLBOPPC-MRXNPFEDSA-N 298.430 4.673 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1cccc(Cl)c1F 1473662330 IFFMWXCFERERER-RWMBFGLXSA-N 279.786 4.723 30 10 CJEE C=CCCC(=O)O[C@H]1CCC[C@@H]1Cc1cccc(Cl)c1 1529759416 VIQZCEMPUFWIDL-ZBFHGGJFSA-N 292.806 4.561 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C)c1ccccc1 1531501473 DJCOHMVNHBWGTF-ZAWLATJESA-N 299.458 4.677 30 10 CJEE C=C[C@](C)(CC)C(=O)NC1CCC(C(C)(C)CC)CC1 1532642891 FPLONBDNYJQHBE-JTTJXQCZSA-N 279.468 4.700 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]2CC[C@H]1C2 1559807624 KHHBQKASKVLVRE-FHWLQOOXSA-N 269.432 4.501 30 10 CJEE C#Cc1ccc(CN[C@H](CCCCC)C(C)(C)C)cc1 1560334296 YKGCFUXYGQJJJM-GOSISDBHSA-N 271.448 4.753 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 1565183702 HXLCCMAFRGBSOB-GJZGRUSLSA-N 294.483 4.587 30 10 CJEE C=CCCCCCCCNC(=O)/C=C\C1CCCCC1 1584288431 KKKCVAXDLGIJLM-PFONDFGASA-N 277.452 4.766 30 10 CJEE C=C[C@@H](OC(=O)c1cc(F)cc2ccoc12)c1ccccc1 1587282756 ISLXDTLNOOOMBA-MRXNPFEDSA-N 296.297 4.656 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 1596545443 IKYSDQYMHACKLS-BBRMVZONSA-N 291.822 4.606 30 10 CJEE C=CCCC[C@@H](Nc1cc(C)nc(CC)n1)c1ccccc1 1612827803 VXHPTQUKLXZOFL-QGZVFWFLSA-N 295.430 4.857 30 10 CJEE O=C1/C(=C\c2cc(Cl)ccc2Cl)Nc2ccccc21 1616049247 XCTOAAYQGUQKPW-RIYZIHGNSA-N 290.149 4.643 30 10 CJEE C=CCCC1(CNCc2cc(C)ccc2NC)CCCC1 1621003901 BGSNHWAPFXBVKH-UHFFFAOYSA-N 286.463 4.653 30 10 CJEE C=CCC1(CN[C@H]2C[C@@H](OCCCC)C2(C)C)CCCC1 1621334198 GUDOUXYGCYYPCG-DLBZAZTESA-N 293.495 4.696 30 10 CJEE C=CCN(CCCCc1ccccc1)CCc1ccccc1 1641656205 BHZKDUPJGCTXES-UHFFFAOYSA-N 293.454 4.740 30 10 CJEE C=C(CC)CNCc1cccc(Oc2ccc(F)cc2)c1 1657532363 QZXWBQYRVPXGNY-UHFFFAOYSA-N 285.362 4.674 30 10 CJEE C=CCCCCNCc1ccc(-c2ccc(C)cc2)o1 1657836421 JRCGXDNIMFYEAS-UHFFFAOYSA-N 269.388 4.701 30 10 CJEE C=CCCCCCN[C@@H](C)[C@H](OC)c1ccccc1Cl 1658013835 VTXIWRAIKOXXQC-YOEHRIQHSA-N 295.854 4.752 30 10 CJEE C=C(C)Cn1c(Cc2ccc(C)cc2)nc2ccccc21 1873515240 JWFQATLEQZUDIA-UHFFFAOYSA-N 276.383 4.512 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)OC(C)(C)C 1876972783 CEVSDHNZURHPGQ-CVEARBPZSA-N 271.489 4.919 30 10 CJEE CCCCCCCCC[C@H](N)C[C@]1(C)CCCOC1 1877732233 NLCVJLFCVYTYNM-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)C(C)(C)C(F)(F)F 1878356056 GHGSHCLQCMDBJI-MRVPVSSYSA-N 290.716 4.601 30 10 CJEE CCC1CCC(C[C@@]2(C#N)CCC[C@H](OC)C2)CC1 1878361625 XEKDZZFDDXRQEG-GQGLESIBSA-N 263.425 4.692 30 10 CJEE CCCC[C@H](CC)N(C)C[C@@H](C#N)C1CCCCC1 1879301205 REITUCRAZYFUFS-SJORKVTESA-N 264.457 4.607 30 10 CJEE CCCCCCCCN(C)C[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1883312707 IBLNGVPOLVTITC-SOUVJXGZSA-N 273.411 4.570 30 10 CJEE C#C[C@H](c1ccccc1)N(C)[C@@H](CC)CCC(C)C 1883328785 RCDHFHNDWOEZIL-ZWKOTPCHSA-N 257.421 4.508 30 10 CJEE CC(C)(C1CCCC1)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 1885275369 UMQJIYQWDGBNAC-KGLIPLIRSA-N 278.245 4.685 30 10 CJEE C#CC[C@H](C[C@]1(N)CCC[C@@H](CCC)CC1)C1CC1 1887406721 GUPKPMIXJIVDAU-NXHRZFHOSA-N 261.453 4.504 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1CC12CCCCC2 1896974238 JJGBISCSZBSICN-HNNXBMFYSA-N 263.425 4.693 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(C2CC2)cs1 1919524568 OAXCLCFFKFGEFE-HNNXBMFYSA-N 266.454 4.555 30 10 CJEE CCCCCCC[C@](C)(O)c1ccc(OC2CC2)cc1 1919871862 KAEJFXISHWIMMZ-SFHVURJKSA-N 276.420 4.796 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccsc1Cl 1919881743 QNJDYFGWDAZUED-CYBMUJFWSA-N 260.830 4.970 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@@H](C)C1CCC1)NC 1920834195 GEZPOKFQAIAVLM-NXHRZFHOSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(C#N)CCCC[C@@H]1C 1921092448 KHAOGUQMMQRZDP-YESZJQIVSA-N 265.441 4.818 30 10 CJEE CC(C)(C)N(Cc1ccccc1)C[C@@H](C#N)C1CCCC1 1931998895 QVGKOIZLZIMLHT-GOSISDBHSA-N 284.447 4.617 30 10 CJEE SC[C@H](COc1cccc(Cl)c1Cl)C1CCC1 1942147746 LBVRNDWGHUTNPP-JTQLQIEISA-N 291.243 4.718 30 10 CJEE C=C(C)CC[C@H](C)NC1CC(c2ccc(C)cc2)C1 1964566310 BIQAUQLDFTVHCP-ZLPCBKJTSA-N 257.421 4.575 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](C)C1CCC(F)(F)CC1 1966386680 UINITPBFLJGIRO-QWHCGFSZSA-N 259.384 4.535 30 10 CJEE Cc1cccc(CSCc2ccc(C#N)c(C)c2)c1 1968402285 ZCIGAJIIVIYCCU-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE C[C@H]1CCC[C@H](CCOc2cccc(Cl)c2C#N)C1 1970659458 VJLFRWZUDQQENK-QWHCGFSZSA-N 277.795 4.807 30 10 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MMXVOVCRGOIVFE-HZPDHXFCSA-N 275.461 4.600 30 10 CJEE C=CCCCC[C@H](O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 2123118387 SDNPNAJRVXTKBY-LRLNFDJXSA-N 262.437 4.700 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@]23CCCC[C@@H]2C3)CC1 2125187937 NVDKGKJKVJMHQU-IIDMSEBBSA-N 260.421 4.908 30 10 CJEE C=C1CC([C@@H](NCCC)c2ccc(C(F)(F)F)s2)C1 2125662323 STHYLDIYLGXWJC-CYBMUJFWSA-N 289.366 4.774 30 10 CJEE C=C1CC(C[C@@H]2CC(C)(C)CC[C@H]2CNC(C)C)C1 2125687993 KURKIGXPMKZSLV-DLBZAZTESA-N 263.469 4.783 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2CCCC3(CC3)C2)C1 2125733292 LSPOKRUFXRJIAJ-SJORKVTESA-N 261.453 4.681 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC2C[C@H](C)C[C@@H](C)C2)C1 2126416685 XUGHCPKZQTZYOX-SRABZTEZSA-N 263.425 4.548 30 10 CJEE CC(C)(C)C1CC(OCc2ccc(C#N)cc2Cl)C1 2126488549 AFUGYVZIIBHUQF-UHFFFAOYSA-N 277.795 4.553 30 10 CJEE CN(c1cc(Cl)c(F)cc1C#N)C1CCCCCC1 2127973224 ZAOARTZIUNIDFI-UHFFFAOYSA-N 280.774 4.510 30 10 CJEE CC#CCCCC[C@@H](N)[C@@H]1C[C@H]1C1CCCCCC1 2135665954 NDIOFLUGLHGZPC-RCCFBDPRSA-N 261.453 4.504 30 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CJEE CC(C)[C@@H]1CCC[C@@](O)(C#CC2CCCCC2)CC1 2274053937 XFLFOHRFJJOTAS-QZTJIDSGSA-N 262.437 4.538 30 10 CJEE CCCN[C@@H]1CCCC[C@H](CC#CC2CCCC2)C1 2274147300 YIYGJOHETVFDLB-QZTJIDSGSA-N 261.453 4.519 30 10 CJEE C=CCCCCCC[C@@H](OCCN)C(C)(C)C(C)C 2276154292 SNMNYHIKFCKWNL-MRXNPFEDSA-N 269.473 4.539 30 10 CJEE C=CCCCCC[C@@H](OCCCN)[C@H](CC)CCC 2276226398 WLUOOZRMPOHIMV-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(Cl)cc1 2276767779 PMTVNMOORUVLBI-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE CCCCCCC[C@](C)(N)C#Cc1ccccc1Cl 2277837295 INCYUVBOKABMJQ-KRWDZBQOSA-N 277.839 4.769 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H](O)C(C)C 2278227996 DFMIQLVBMMFXQO-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE C=C(C(C)(C)C)[C@](N)(c1ccccc1)C1CCCC1 2278286880 ZOMAROUUPXPRNP-SFHVURJKSA-N 257.421 4.633 30 10 CJEE C=C1C[C@H]2CC(NCC3CC4(CCCC4)C3)C[C@@H](C1)C2 2279997045 YVGNJZCLYGQINZ-BYICEURKSA-N 273.464 4.681 30 10 CJEE CCCCCCCC[C@H](NCCC)C1(OC)CC(C)C1 2281091771 OHMRSTXNFQMDPA-ADKAHSJRSA-N 283.500 4.920 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H](C)C1CCC1 2284088279 JLKQQGVRISEOJZ-AEFFLSMTSA-N 275.480 4.787 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccccc1Cl 2284098963 NGUVBXHEAQIMPN-KRWDZBQOSA-N 289.850 4.986 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@]1(C)CC=C(C)CC1 2284172561 ZQHABVANZYIPSR-MJGOQNOKSA-N 273.464 4.707 30 10 CJEE C[C@@H](NCC=CC#CC(C)(C)C)[C@@H]1CCCC(C)(C)C1 2284182554 FSKGHQCDFFMTKP-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CCCCCCCCCOC[C@@H](N)c1sc(C)nc1C 2285029534 WBVKDMYFSMWEQT-OAHLLOKOSA-N 298.496 4.527 30 10 CJEE C=C(C)CCCCC(=O)c1c(F)c(F)c(F)c(F)c1F 2287375402 AVJQLEXWGIVGRQ-UHFFFAOYSA-N 292.247 4.701 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cn(C(C)C)nc1C 2287464672 BNGOJRFEKKWQAK-KRWDZBQOSA-N 277.456 4.560 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1nccc2ccccc12 2287466074 DJSRCPXOUBZURX-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=C(C)CCCCOc1cc(C)c(CNCC)c(C)c1 2287471390 AKZOXKBYIFVYHV-UHFFFAOYSA-N 275.436 4.538 30 10 CJEE N#Cc1ccccc1Nc1cccc(C2CCCC2)c1 2289197138 IDOICHXCQDRTRJ-UHFFFAOYSA-N 262.356 4.959 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1scc(C)c1C 2289686738 JAEGAMJKFAQHNF-QGZVFWFLSA-N 289.488 4.989 30 10 CJEE Oc1ccc(SCC#CC2CCCC2)c2ccccc12 2289862098 BBOMMCOYPVVUKC-UHFFFAOYSA-N 282.408 4.831 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(F)cc(Cl)c1 2289882349 OXRDJOJLGRVGGF-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE O[C@@]1(CC#CC2CCCC2)CCCCCCCC1(F)F 2289906376 ZVYORXGVQAMEAP-MRXNPFEDSA-N 284.390 4.681 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@H]1C[C@H]1CC 2290574784 AYBWEORRRXQEOU-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCC1(C)C)OCCN 2292755722 ATTBVHMFLBJKEJ-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCCCN)c1cccs1 2292778442 GAMZZWPPACPQJZ-QGZVFWFLSA-N 295.492 4.855 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC[C@H](CC)CC1 2292788842 ACYSTTDQKGJXBF-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=C(Cl)C[C@@H](OCCCN)c1ccc(C(C)(C)C)cc1 2292898486 NKTCWWITNQTXDL-MRXNPFEDSA-N 295.854 4.533 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@]12CCC[C@H]1C2 2293413640 NEWINULUWLLUTC-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCC[C@H](OCCN)C1CC=CC1 2293504461 KPCYRSDLPKCLPX-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]1C(C)C)OCCCN 2293964142 KUTRYQKEIHYPKZ-KURKYZTESA-N 283.500 4.763 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1csc(C)c1 2294003227 JXYTUCXJSUPZNX-QGZVFWFLSA-N 295.492 4.990 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]2C[C@H]2C1)OCCCN 2294287109 MGGRVGFPLVOOJH-ZJPYXAASSA-N 281.484 4.517 30 10 CJEE CC(C)(C)c1ccc(C=CC(=O)c2ccccc2)cc1 2294300343 LTUGRZGUQVIHCI-UHFFFAOYSA-N 264.368 4.880 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@@]1(C)C[C@@H]1C 2294464793 RUWVAPSZUAOAQE-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CC(C)CCN(CC(C)C)[C@@H](CC#N)c1ccccc1 2294749247 PXMDECFQAAYMCV-SFHVURJKSA-N 272.436 4.645 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(CCC(C)C)CC(C)C)C1 2294751271 UMPWQZFCIMLNIL-KURKYZTESA-N 278.484 4.709 30 10 CJEE C#Cc1ccc2c(ccn2CC2CC(C(C)(C)C)C2)c1 2295167405 OULFPDKLTLROJH-UHFFFAOYSA-N 265.400 4.695 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)C1(C)CCCC1 2295212173 QUQHXDOJSDEZTO-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(O)C#Cc2ccccc2Cl)C1 2295234909 QADYWZPZXIDVFG-QAPCUYQASA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@](C)(O)c1nnc(C2CC2)s1 2295588610 HBZXVOUZAQEUKC-INIZCTEOSA-N 296.480 4.764 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COC[C@@H]1C(C)C 2295682848 UWKKNJBKEKHVFI-KSZLIROESA-N 283.500 4.776 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccsc1C 2304022539 SHNBQQPDKXLTJY-AWEZNQCLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(C)csc1C 2304032073 FGTQBRIBDSYUDS-LSDHHAIUSA-N 251.439 4.618 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(F)c(Cl)c1 2304128770 PGKKOVRFOOVUGO-KBPBESRZSA-N 256.748 4.505 30 10 CJEE CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2309559418 BQYNXLYOSNTYNG-KSWRQPAISA-N 250.426 4.534 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1C[C@@H]2CC[C@H]1C2 2312874655 KQIIJMFJTDNMEU-TWMKSMIVSA-N 252.442 4.924 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(SC)cc1 2313545149 SAIIGVUCGCERJQ-ZDUSSCGKSA-N 261.434 4.580 30 10 CJEE C[C@H]1C[C@@](C#N)(C(CC2CC2)CC2CC2)CCS1 2313584054 NAYFYQCQOBTENK-LRDDRELGSA-N 263.450 4.628 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNCCC)cc1Cl 2313697741 GPLUTWHSFTTYAH-LBPRGKRZSA-N 283.868 4.896 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1C[C@H](C)N 2313873762 AVYOSIAMFGMPCH-RYUDHWBXSA-N 283.868 4.595 30 10 CJEE C=CCCCCCCC[C@H](N)[C@](C)(CC)C(F)F 2315004323 SRDFPVDDCYOFFO-ZFWWWQNUSA-N 261.400 4.912 30 10 CJEE CCCC[C@](C=O)(CC)CC[C@@H]1CC[C@@H]1C1CC1 2319611478 GUYMQHCDGDVVHS-GVDBMIGSSA-N 250.426 4.988 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C)cc1SC 2319612335 MBFJOGVPJLEBRC-HNNXBMFYSA-N 263.450 4.724 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CCC(C)(C)C(F)(F)F 2321105061 LQTPNWBJFPCCKW-WCQYABFASA-N 265.363 4.675 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccsc1C(F)(F)F 2321147169 FJHZAKZCXFJVSN-LBPRGKRZSA-N 276.323 4.942 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc2sccc2c1 2321222035 FWVFVMQRWJQGHY-JKSUJKDBSA-N 260.402 4.927 30 10 CJEE C=CCOc1ccccc1C=CC(=O)c1cccc(Cl)c1 2322511094 MXRQWAJMWMCEEK-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1C[C@@H](C(F)(F)F)C1 2327674960 GHDVGIZGYCYIMW-FRRDWIJNSA-N 265.363 4.653 30 10 CJEE C=CCCCCCCCCC=C1C[C@H]2C[C@@H]1C[C@H]2N 2333365859 XUWDNMKRMLYHMG-FGTMMUONSA-N 261.453 4.977 30 10 CJEE CC(C)[C@@]12CC[C@H](N(C)CCCCCCCS)[C@@H]1C2 2335055774 RSBQAFBICVBBPO-ULQDDVLXSA-N 283.525 4.623 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCC(C)(C)[C@@H]1NC 2335207688 VFHBFEIRHJUDTE-JKSUJKDBSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)NC)cc1F 2335232294 PDINXZPCQUXEDF-GFCCVEGCSA-N 279.424 4.719 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@](C)(CC)C(F)F 2336599232 HFXWRUVRZHIXTF-ZBFHGGJFSA-N 273.411 4.620 30 10 CJEE CCCCCCCC[C@@H](O)c1ccncc1C(C)C 2338618203 LLSPLTHGXBOFSH-QGZVFWFLSA-N 263.425 4.989 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC[C@@H]1CNC(C)(C)C 2338725194 OTHYRSWFTFRELS-IAGOWNOFSA-N 263.469 4.949 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H](C)[C@@H](C)C(C)C 2340208427 LEVWLZGVPDFTHW-ULQDDVLXSA-N 271.489 4.619 30 10 CJEE C=CC1(Nc2ccc(C3CC3)c(C)n2)CCCCC1 2340609547 KZAWKXDIMZZXEE-UHFFFAOYSA-N 256.393 4.568 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1ccc(CC(C)C)cc1 2341892681 IUHSNFOZXHSPOQ-ROUUACIJSA-N 257.421 4.502 30 10 CJEE C=C(C)C[C@@H](CC1CC2(C1)CC(C)(C)C2)NCCC 2341932268 YDOGCXDPARJVMZ-INIZCTEOSA-N 263.469 4.927 30 10 CJEE C#CCCC[C@@H](NCCC)c1cccc(C(C)C)c1 2343617947 HINGOCMXGIOCEZ-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1[C@H]2CCCC[C@H]21)NCCC 2344349004 PKBSPCLOIWXMRU-LTIDMASMSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 2344378191 FYXOSJVVSIYJNG-UHFFFAOYSA-N 274.257 4.630 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CCCC(C)(C)C1 2352082958 PTCAQNGNHXWSOV-YOEHRIQHSA-N 285.541 4.869 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H]1C[C@@H](C(F)(F)F)C1 2352726538 PGHLVSWXRAAXCE-SCRDCRAPSA-N 276.342 4.751 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)OCCN 2360110717 LAVOWHCPVVUWSC-BRSBDYLESA-N 281.484 4.517 30 10 CJEE O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc(F)cc1 33246930 CBJPCINXIHKSEP-BENRWUELSA-N 292.309 4.982 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676264 GBTIYLLTJYJUIN-JTNHKYCSSA-N 281.371 4.775 30 10 CJEE N#Cc1ccc(Sc2ccccc2)cc1C(F)(F)F 37306496 ANYOUMQDDXUUEF-UHFFFAOYSA-N 279.286 4.728 30 10 CJEE N#Cc1ccc(N[C@H](c2cccs2)C2CC2)cc1Cl 42329428 PIHUFCMDIDCWCU-HNNXBMFYSA-N 288.803 4.836 30 10 CJEE CC[C@@H](CC#N)N[C@@H](c1ccccc1)C1CCCCC1 54182725 VMKJNMYLZIVQOE-ROUUACIJSA-N 270.420 4.590 30 10 CJEE Cc1ccc(C)c(OCCC[C@H](C#N)c2ccccc2F)c1 57686476 KQCGRVMHNGPATH-MRXNPFEDSA-N 297.373 4.909 30 10 CJEE N#C[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 57743196 JOQKOTDMBXYKIL-GFCCVEGCSA-N 294.156 4.982 30 10 CJEE CCCCCCCCO[C@H](C)C(=O)c1ccc(F)cc1 59526332 AHFSIDUQGHXBLQ-CQSZACIVSA-N 280.383 4.774 30 10 CJEE SCc1cnc(-c2ccc(Cl)c(Cl)c2)s1 82417673 CVDYJOIHOOLICW-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86942480 ZAXNCTVOVLPYEN-DOTOQJQBSA-N 270.420 4.914 30 10 CJEE COc1ccc(Cl)cc1C[C@]1(C#N)CCC[C@@H](C)C1 87930510 UEEILFDBWNGYGU-WBMJQRKESA-N 277.795 4.611 30 10 CJEE CCCN[C@H](CCC)c1ccn(CCCC(C)(C)C#N)c1 91823895 KMBNIGXSGBLKTQ-QGZVFWFLSA-N 289.467 4.659 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)CC1(CS)CCCC1 94579550 VATIGDFPCCQLMY-ZDUSSCGKSA-N 297.895 4.823 30 10 CJEE CN(Cc1ccccc1Cl)CC1(CS)CCCCC1 94581510 LDLSUZKLDNUXKC-UHFFFAOYSA-N 297.895 4.652 30 10 CJEE O=C(/C=C\Nc1cccc(C(F)(F)F)c1)c1ccccc1 104276130 CUWXPMUSMZOCAF-KTKRTIGZSA-N 291.272 4.514 30 10 CJEE CCN(CC)c1ccc(/C=C2/CC/C(=C/C(C)C)C2=O)cc1 104377247 BAZGCITVYTXSFO-JTFWXBGUSA-N 297.442 4.862 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1cccc(C)c1C 104733387 WEOVZLGBRZFTNP-QINSGFPZSA-N 279.383 4.810 30 10 CJEE CCCCCCC[C@@H](O)c1cnc2ccccc2c1 111849398 RPWQOLANTATQPO-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCC[C@H](CS[C@@H](C)CC)NC 114866378 YPIQOQVJMFFOTL-LSDHHAIUSA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(C)c(C)s1 122369385 NFSNTYYNYBJPEK-AWEZNQCLSA-N 268.470 4.620 30 10 CJEE CCCCCCC[C@@H](C[C@@H](CC)CCCC)NN 128791350 FFNQJUFNTKEPDA-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CCCCc1ccc(OCC2(CS)CCCC2)cc1 130406185 XIHJWJDVALNMAE-UHFFFAOYSA-N 278.461 4.898 30 10 CJEE N#CC1([C@H](O)c2ccc(C(F)F)cc2)CCCCCC1 131713549 BSMAKWQKBKIVNZ-CQSZACIVSA-N 279.330 4.522 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cccc(C(F)F)c1 131952268 VBPQDUHUJUUGRR-OAHLLOKOSA-N 278.346 4.501 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccnc(C)n1 132444394 CQHSOACKTJQYBE-INIZCTEOSA-N 277.456 4.576 30 10 CJEE C=C[C@H](C)Oc1ccc(Br)cc1C(C)C 136463794 WIBMKAZOCKRWCE-JTQLQIEISA-N 269.182 4.526 30 10 CJEE CCCCCCC[C@@H](N)[C@@H](C)Oc1cccc(Cl)c1 139609956 HZTUVNZFTHBWGG-CZUORRHYSA-N 283.843 4.795 30 10 CJEE CCCCCCCCC[C@H](NC)C(CC)(CC)OC 164491426 ZSAYXFJDYZEBRE-INIZCTEOSA-N 271.489 4.920 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 165997454 IFFYEEJLGMIQPV-JSGCOSHPSA-N 265.809 4.656 30 10 CJEE CCCCCCCCC(=O)[C@H]1CCO[C@]2(CCSC2)C1 169186844 DIPAHJHEVOHQRH-DOTOQJQBSA-N 298.492 4.608 30 10 CJEE C[C@H]1CCCN([C@](C)(C#N)Cc2ccc(C(C)(C)C)cc2)C1 212312102 ZTEVTAMKHDXJPW-JXFKEZNVSA-N 298.474 4.541 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)cc1Br 213218131 GIKVXTZOIHAMKF-GHMZBOCLSA-N 295.224 4.557 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236847 RSEFWECIHOGWSZ-SUNKGSAMSA-N 265.809 4.760 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CCc2cccnc21 229816854 YBRUKUJSRGEFME-ZWKOTPCHSA-N 288.479 4.840 30 10 CJEE CC(C)C[C@H]1CCC[C@](C#N)(NC2CCCCCC2)C1 230779933 HPFCUBWGOGXCCW-AEFFLSMTSA-N 276.468 4.797 30 10 CJEE CCCCCCCC[C@H](CCOCC(F)F)NCCC 232092561 MFWWYQFPQYIUAE-OAHLLOKOSA-N 293.442 4.777 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cccc(C#N)c12 232936442 AEZWVLFZTWNJHZ-UHFFFAOYSA-N 268.360 4.583 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccnc(C)c1 232960487 RQVTXHXHVMFHON-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE O=C(CSc1cccc(Cl)c1)C1=CCCCC1 236063108 DZPQRISXRYZDJL-UHFFFAOYSA-N 266.793 4.502 30 10 CJEE C=C1C[C@H](c2cc(C)cc(C)c2)N(C(=O)OC(C)(C)C)C1 238507016 VOCJAVJDDHWCOH-MRXNPFEDSA-N 287.403 4.542 30 10 CJEE CCCCCCCCN1C[C@@H](C2CCCCC2)NC[C@H]1C 250839987 XEUHDVLZNPTOKH-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@H]1CC(C)C 250844108 ZMJADRCZHKSTMH-RTBURBONSA-N 296.543 4.836 30 10 CJEE CC(C)(C)C[C@@H](C#N)COc1ccc(C(F)(F)F)cc1 260594516 UIBQNRNECPOQGG-NSHDSACASA-N 285.309 4.660 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H](SC)C1 300675417 RDVIXDHLLGARPB-ZNMIVQPWSA-N 257.487 4.609 30 10 CJEE CC1(/C=C/B2OC(C)(C)C(C)(C)O2)CCCCCC1 306970335 QQJZNVFWXDJCCQ-OUKQBFOZSA-N 264.218 4.535 30 10 CJEE CCCCCCCCCNc1ccc2c(c1)COC2 311669914 ZQXANHARAULFCH-UHFFFAOYSA-N 261.409 4.879 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2c(F)cccc2Cl)c1 311732344 QMUSJPNXLMUWLX-NSHDSACASA-N 273.738 4.634 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCOC[C@@H]1C 312472936 BOBVCHSQSIABEY-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2C[C@H]2c2ccccc2)C1 316793480 HYYGCEDGBCQKHL-SPUZQDLCSA-N 256.389 4.576 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 318018303 XRGRXYMUBJYOIW-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCSC)C1 320015022 VRHLXWZRPJRZJZ-BFHYXJOUSA-N 285.522 4.827 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 336976095 WOAPUIDJVCWJBT-QGZVFWFLSA-N 295.382 4.594 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1c(F)cccc1Cl 380155454 JOIHGOSTQGBUBB-MNOVXSKESA-N 253.748 4.768 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@@H]1CSc2ccccc21 386723139 AQUHZEUCDVJXJO-HUUCEWRRSA-N 289.488 4.846 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nccc3sccc23)C1 388078960 QFOKXSUZCKUCOT-WBMJQRKESA-N 270.401 4.658 30 10 CJEE N#C[C@@H](CSc1cc(Cl)ccc1Cl)C1CC1 397268615 WHJZJZFUXYJGFP-VIFPVBQESA-N 272.200 4.635 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccccc1Br 398112238 NNVCGVYDFVSRLS-STQMWFEESA-N 296.252 4.845 30 10 CJEE C=CCC[C@H](NC[C@H]1CCC(F)(F)C1)c1ccccc1 430742454 OSGLJKOYEQDSHQ-HOCLYGCPSA-N 279.374 4.719 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cc(CC)ccc1CC 467516645 NLRMUWBMHPNJQZ-UHFFFAOYSA-N 271.404 4.518 30 10 CJEE Cc1cc(C)c(N=C(Br)C(F)(F)F)c(C)c1 606524906 GHJXXKLPPXFRJH-UHFFFAOYSA-N 294.114 4.599 30 10 CJEE C#CCCCCC[C@H](NCC)C1CCC2(CC1)CC2 686690196 QPZADSCFMCVEIL-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@H]1CCCCC[C@@H]1CNCCC 686691138 GJPUGZCIGXRSTK-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE C#CCCCCCC(=O)c1cc2sccc2s1 686698154 ZGRWAQRBNYBCRJ-UHFFFAOYSA-N 262.399 4.729 30 10 CJEE CCCCCCCCC[C@H](F)CC1CCNCC1 695272135 FTYXNJNSXPMPDW-INIZCTEOSA-N 257.437 4.855 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](C)CCN 697033020 WXXCPJZKCHWLSP-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE C[C@H]1C[C@@H](C)N/C(=N/CC2CC(C)(C)CC(C)(C)C2)S1 699566569 MHUMGDLXECWYLC-OLZOCXBDSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H]1CCCN1C 700197467 YIDBDFHBRPBAMM-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C=CCCCCCOc1cc(Br)ccc1OC 700813624 AACLPBVYNFTEOF-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE C=CCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 702366070 QFZVWWJRHZHPMO-ZDUSSCGKSA-N 288.218 4.746 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc2cnccc2c1 702764064 DBLJLGNSKXOJOO-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 704046501 KTZWCNYEPGPASG-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@@](C)(N)[C@@H]1C[C@H]2CC[C@H]1C2 704448644 GIBHTMZAGIPGPD-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCC2(CCCC2)O1 709509497 OQXUBKYFONNNET-DLBZAZTESA-N 281.484 4.817 30 10 CJEE CCCCCCC[C@H](NC)C12CCC(CC1)CC2 710049094 WNVLOCHAQRROIB-CGZBRXJRSA-N 251.458 4.905 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714466728 PZUVWMKDOZEOJE-XDNAFOTISA-N 278.484 4.561 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Br)ccc1C 715726918 VYAPPUCWNWGERP-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=C1CCC(CC(=O)Cc2c(F)cccc2Cl)CC1 724590480 TVHKQWSDMHMSSC-UHFFFAOYSA-N 280.770 4.727 30 10 CJEE CCc1c(C#N)sc2cccc(SC(F)(F)F)c12 725291973 HEEQLMIAIWCRQT-UHFFFAOYSA-N 287.331 4.947 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc(N2CCCCC2)cc1 916154211 CBYGJUOQCIQMPO-ZROIWOOFSA-N 291.394 4.573 30 10 CJEE C=CCN(C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1)C(C)(C)C 1131324670 NNJVCOFCZWPYMW-GJZGRUSLSA-N 279.468 4.652 30 10 CJEE C=CCCCCCN(C)Cc1cccc(SCC)c1 1204767264 AHFZDIHUOOHMFG-UHFFFAOYSA-N 277.477 4.977 30 10 CJEE C=CCOc1ccc(CNCCC2CCCCCC2)cc1 1205751809 DCGBFYDECAKKTK-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(C3CCC3)cn2)C1 1206054829 HSORWEFEQNEGKL-XJKSGUPXSA-N 256.393 4.506 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@H]1CCCCC)c1ccccc1 1266104027 DHRGVIJXOXEAGN-PKOBYXMFSA-N 299.458 4.918 30 10 CJEE C=CC1(CC(=O)N2CCC(C3CCC3)CC2)CCCCC1 1300465102 DRINQUCKDJOZRG-UHFFFAOYSA-N 289.463 4.552 30 10 CJEE C=CCCC1(CNc2cc(C(C)(C)C)ncn2)CCCC1 1307163738 HRWUMPYBOKUMDF-UHFFFAOYSA-N 287.451 4.713 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC(C)C)CCC(C)C 1357806046 MSPKEGJANZNRRX-UHFFFAOYSA-N 267.457 4.510 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccccc1 1435621335 MWBLOSZVAIRVST-IRXDYDNUSA-N 285.431 4.636 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H]1CCC[C@@H]1CC)c1ccccc1 1460249979 PMZVATUMIPLUES-UHOSZYNNSA-N 299.458 4.679 30 10 CJEE C=CCCCCCN[C@H](c1ccccc1F)C(C)C 1460357635 DDMJNZCOKUXTRM-KRWDZBQOSA-N 263.400 4.859 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(CCC(F)(F)F)cc1 1524700254 KHTZGPXSUGCBKY-UHFFFAOYSA-N 299.336 4.722 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1c(C(C)=O)ccc2ccccc12 1531380378 XGZPRXUAAJGDIN-IBGZPJMESA-N 295.382 4.583 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(-c2ccccc2)c1 1531880845 GQIAKOQDWQMEBD-HNNXBMFYSA-N 279.383 4.894 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccc(CC)cc1)C(C)C 1535056227 GNYIUYOBXYCZSA-HNNXBMFYSA-N 273.420 4.593 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](C)c1c(C)cccc1C 1535738621 GHIQGOFNLKKKLA-GJZGRUSLSA-N 260.377 4.510 30 10 CJEE C=CC1(CC(=O)OCc2ccc(C)cc2)CCCCC1 1538360861 SWILYMZLSNRXNQ-UHFFFAOYSA-N 272.388 4.565 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)CC2CCCCC2)CCCCC1 1539054605 VISDEJJKWGYPSB-INIZCTEOSA-N 291.479 4.988 30 10 CJEE CCCCCCCCNC(=O)c1cccc(Cl)c1C 1544734165 KGWDPLPWLSCNRN-UHFFFAOYSA-N 281.827 4.739 30 10 CJEE C=CCN(Cc1cccc(C2CC2)c1)Cc1cccs1 1560725396 DKJDJBHZPJWKFY-UHFFFAOYSA-N 283.440 4.814 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)[C@H](C)CC 1586807646 FESFSVKTPZMWQB-YSHGAJCASA-N 297.442 4.526 30 10 CJEE Fc1ccc(C#Cc2cccc(Cl)c2)cc1Cl 1614731212 SBKWLUATSJVTDC-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE CSc1ccccc1C#Cc1ccc(C(C)C)cc1 1614825832 UCEJBRMOVFOZMU-UHFFFAOYSA-N 266.409 4.932 30 10 CJEE C=CCCCCC[C@H](C)NCCc1cnc2ccccc2c1 1621516660 JFNSHEKDALKKRS-KRWDZBQOSA-N 296.458 4.892 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(C(C)C)cc1 1622710830 SIPGUEXHSKFLMK-UHFFFAOYSA-N 274.408 4.676 30 10 CJEE C=CCCCCN(Cc1ccc2c(c1)CCO2)C1CCCC1 1644529604 MMTZBBVYTWCLGG-UHFFFAOYSA-N 299.458 4.722 30 10 CJEE C=CCCCCCN1C[C@H](c2ccccc2C)OC[C@H]1C 1644650251 VWAQDDNRQAIFPJ-IEBWSBKVSA-N 287.447 4.503 30 10 CJEE C=CCOc1cccc(CN[C@H](C)CCC(C)(C)C)c1 1649991136 KYRHVFJHFGCHDA-OAHLLOKOSA-N 275.436 4.556 30 10 CJEE C=CCN(Cc1c(F)cccc1CC)CC1CCCCC1 1651992061 GYWNPMBQLUPKTM-UHFFFAOYSA-N 289.438 4.956 30 10 CJEE Cc1ccc(S[C@@H](C#N)CCc2ccccc2)s1 1652045653 ABQXVIHAHRLJSI-CQSZACIVSA-N 273.426 4.674 30 10 CJEE C=CCCN(Cc1ccc(Br)cc1)C(C)(C)C 1654310758 VSQSLDOLHDDOGD-UHFFFAOYSA-N 296.252 4.626 30 10 CJEE C=CCCCCN(CC1CC1)c1ccc(C)c(F)c1 1655245167 AQFRTOOHODEZBB-UHFFFAOYSA-N 261.384 4.707 30 10 CJEE C=CCC[C@@H](NCc1cccc2c1CCC2)c1ccccc1 1655957192 STQUXIZAWNIOPD-OAQYLSRUSA-N 291.438 4.972 30 10 CJEE C=CCCC1(CNCc2cc(F)cc(F)c2)CCCC1 1656621995 CHEJBGVAUOBKOW-UHFFFAOYSA-N 279.374 4.581 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccnc(Cl)c1Cl 1656622665 LQPLVPVXYLVIMD-AAEUAGOBSA-N 299.245 4.613 30 10 CJEE CCCCCCCCN[C@@](C)(CC)C(F)(F)F 1657635369 ACNIIZYFOHOCCI-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@@H](C)c1ccccc1 1658771101 NDVZDMGUBTXDPJ-KRWDZBQOSA-N 265.400 4.826 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(C2CCC2)cc1 1658863137 VWBJZGJUKNWHDN-GOSISDBHSA-N 257.421 4.789 30 10 CJEE C=CCN(CCc1ccccc1)Cc1cccc2ccoc12 1659167678 XLSPJDQWUTYZPQ-UHFFFAOYSA-N 291.394 4.664 30 10 CJEE C#CCCCCCCN[C@H](CC)c1cc(C)ccc1C 1659789078 GMGZFKULZOTJPN-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C#CCCCCCCN[C@@H]1CCc2ccc(Cl)cc21 1660404211 UOODYBSKEQVXHV-QGZVFWFLSA-N 275.823 4.501 30 10 CJEE C=C(C)COc1cccc(NCc2ccc(C)cc2)c1 1661784662 XAJCHRPVHLLZMY-UHFFFAOYSA-N 267.372 4.562 30 10 CJEE N#Cc1cncc(-c2cc(Cl)cc(Cl)c2Cl)c1 1848375076 HUBFOKCRQIHCFY-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC(C)(C)C1(C[C@](C)(C=O)c2ccccc2)CCC1 1876739949 YPHSPTOHISUIEM-QGZVFWFLSA-N 258.405 4.750 30 10 CJEE C=C1CCC(C[C@H](CC[C@@H]2C[C@@H]2C)NCCC)CC1 1876945033 UTYRNZNLSLTJFF-JQHSSLGASA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](CCC)COC 1879029514 LVTLXIBPOPJTMG-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CC#CCCC[C@H](NCCC)C1CCC2(CC1)CC2 1879650275 JHAXQMWKWOWXTL-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC1(C)C[C@]1(C#N)CC1CC2(C1)C(F)(F)C21CCC1 1881850815 RDKRWWGXODUBEF-QRJNDHJOSA-N 265.347 4.532 30 10 CJEE C=C1CCC(CN(CC(F)(F)F)C2CCCC2)CC1 1884408388 XKSDTHZNACZESO-UHFFFAOYSA-N 275.358 4.540 30 10 CJEE CC#CCCCC[C@H](N)c1ccc(C(C)(C)C)cc1 1885245718 WYEVLERVCNDDKB-KRWDZBQOSA-N 257.421 4.568 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CCO[C@H]1C 1885729300 AOCTYHCBSFCRTG-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)c1cccc2ccsc12 1887503129 YHXCDZANSIORKL-BBRMVZONSA-N 271.429 4.601 30 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C#CCCN(C[C@@]12CCCC[C@H]1CC2)C1CCCCC1 2289150020 DCIJHWMYPOSXRB-HKUYNNGSSA-N 273.464 4.615 30 10 CJEE CCCCCCC[C@@H](CCCC(C)(F)F)OCC(=O)O 2290701275 ZOKKWDOYFGCUQF-ZDUSSCGKSA-N 294.382 4.642 30 10 CJEE C=CCCCCCC[C@](C)(OCCC(=O)O)[C@@H](C)CC 2291287695 WNTWDLLVAGJLIE-RDJZCZTQSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(CCC1CC1)OCCC(=O)O 2291894925 SWSKLDOWZWTLEI-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@H](CC1CCCC1)OCC(=O)O 2292432766 DMMQOIDZTTXFFG-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)C=CCC[C@@H]1C 2292652106 HDFDGPLUTNWZOP-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@@H](C)CC(C)C 2292784773 OCDLMKIJILVPFU-ZWKOTPCHSA-N 283.500 4.929 30 10 CJEE C=CCCCC[C@@](CC)(OCCCN)C1CCCCC1 2293280789 OAPKYNYBCRKHNP-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@](C)(OCCN)[C@H]1CC1(C)C 2293783809 BWZXPZRKLUXEOS-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CN[C@@H](C#Cc1ccccc1Cl)CC1CCCCCC1 2295221807 MXEOSJUSHQPHLY-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(O)C#Cc1ccccc1Cl 2295234563 MTSPLFRGKUYVIS-WMZOPIPTSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCOCC1(C)C 2295670322 DFOMQSXSRKQSNR-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](OC)C1CCC1 2295683706 FJLABGLKAHKWTJ-SJLPKXTDSA-N 283.500 4.920 30 10 CJEE C[C@]1(CC#N)CC[C@](c2ccccc2)(C2CCCC2)O1 2295832537 FWVALRNXYJDUJI-MSOLQXFVSA-N 269.388 4.555 30 10 CJEE C=CC[C@H](C)Sc1nc(Cl)cc2ccccc12 2298889171 RIKMZLYRVFLKLM-JTQLQIEISA-N 263.793 4.945 30 10 CJEE C=C(Cl)CON[C@@H](CC)c1ccc(Cl)c(Cl)c1 2299018554 HGPOUARRCKNVEA-LBPRGKRZSA-N 294.609 4.718 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1c(F)ccc(C)c1Cl 2299147692 WVIDGSLCJOVHND-LLVKDONJSA-N 276.182 4.581 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C)s1 2304020793 AKHJCJGJFUPTIG-CQSZACIVSA-N 251.439 4.700 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(C(F)F)cs1 2304040118 ZWVXYPQOXZGFOE-LLVKDONJSA-N 259.365 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(F)c1 2304124370 CZBZGSRJYSUYPW-KBPBESRZSA-N 256.748 4.505 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@@H]2C[C@H]12 2308617518 IPFJNHAFJDHAJX-QZWWFDLISA-N 251.458 4.761 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1CCC[C@H]1C(C)C 2312083723 GTXQDIFZULYNDM-GVDBMIGSSA-N 252.442 4.946 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1CCC1(F)F 2313766572 MKMDTWMLNKNHAU-AWEZNQCLSA-N 261.400 4.714 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1ccc(Cl)c(Cl)c1 2315422609 RMJVSZSFIZHVPA-SWLSCSKDSA-N 284.230 4.828 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@@H]1C)NCCC 2321102861 URSBSWCZPAFGDT-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(F)c(Cl)c(F)c1 2321139106 WZBYEIVHJUHVFF-AWEZNQCLSA-N 272.722 4.793 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1cc(F)ccc1F 2330492326 KCYQETMPANBFOS-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE C=CC[C@H](C)Sc1cc(C)ccc1CNC1CCC1 2335248005 KLNWQUBUEXOBQW-AWEZNQCLSA-N 275.461 4.694 30 10 CJEE CCCCCCCCC[C@H](N)c1cnccc1SC 2336860132 YOFKXCWEYPVODL-HNNXBMFYSA-N 280.481 4.944 30 10 CJEE CC(=CC[C@@]1(C#N)CCO[C@@H](C)C1)CCCC(C)C 2338442192 HYSACHATZUVBCJ-DLBZAZTESA-N 263.425 4.858 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCCCC[C@@H]1C(F)(F)F 2338701958 IXTQTOLFNAEOGR-KBPBESRZSA-N 276.342 4.629 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1(C2CC2)CCCC1 2338729745 JBXQTWJWVFTHPW-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1ccc(C(C)C)cc1 2338746489 HCUTWXBMIKBYTR-GOSISDBHSA-N 258.405 4.786 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@]1(C)CCCCC1(F)F 2338747488 QMYCURPLSDMBTP-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CC12CCCC2 2338747533 QRKOIXDAOIPOCN-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[S@](=N)(=O)CCCCCCC1CC1 2338765306 KAVNTYAGLUZKLT-LJQANCHMSA-N 283.481 4.914 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338788509 WSIYYJLBBUDNIS-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CC[C@](O)(C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339619259 VANDJGGUEORDLM-LRDDRELGSA-N 297.225 4.641 30 10 CJEE CC(C)(C)C#CC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2341112813 QMHZJMWUULSMJB-OAHLLOKOSA-N 299.241 4.727 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCCC 2341924284 SDTHQQBSCZMNPJ-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)c(C)c1 2344337333 PSRWDEGPELBKDJ-KRWDZBQOSA-N 259.437 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1sc(C)nc1C 2344337935 VQPYVLKEVQAOTE-HOTGVXAUSA-N 280.481 4.793 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CCC2(CCCC2)C1 2344344810 UHCWXKBYRVLKKV-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@]1(C)CCCCC1(F)F)NC 2344345933 YTUXNBPBOXVCMZ-UKRRQHHQSA-N 273.411 4.782 30 10 CJEE CC[C@@H]1NC(=N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)S[C@@H]1CC 2354138760 WXTNUOMTWASVBC-NBFUAULTSA-N 294.508 4.595 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@@H]2OC 2354380283 LFZFIPIEVYQTGO-XLAORIBOSA-N 281.484 4.660 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2354838331 YBKKZQHNMQWWAK-RDRUIREHSA-N 284.390 4.843 30 10 CJEE O=C(C#CC1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359892680 UGXGCZNDTGEFKW-BZSNNMDCSA-N 272.432 4.746 30 10 CJEE COc1cc(CSC[C@H]2CC[C@H](C)CC2)ccc1C#N 2360478092 WOEMFOIQKCYXEQ-HDJSIYSDSA-N 289.444 4.626 30 10 CJEE Cc1ccccc1[C@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@H]21 14478544 GTYWVCPADWQSBI-SQGPQFPESA-N 286.378 4.693 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676267 GBTIYLLTJYJUIN-COPLHBTASA-N 281.371 4.775 30 10 CJEE Cc1ccc(Nc2c(C#N)cnc3ccccc23)c(Cl)c1 36913294 BQTVPCRZPKPQGF-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CC(C)(C)CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 36930412 NIMXQSQMYIZFII-SECBINFHSA-N 284.186 4.606 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCC2 36954190 YMQKDAKFVKTVCE-LBPRGKRZSA-N 296.801 4.873 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(C(C)C)cc2)cc1 37935613 KRQHVQMCIVAHMD-GOSISDBHSA-N 264.372 4.795 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2ccccc2C)c(C)c1 37937915 ZFAFSWRYTBBTBD-KRWDZBQOSA-N 264.372 4.597 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cccc(C(F)(F)F)c1 37938948 LMCNWMXWULHUOT-CQSZACIVSA-N 294.251 4.521 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)o1 49223681 JYPAQSNSTLHHNV-SNVBAGLBSA-N 294.276 4.652 30 10 CJEE N#Cc1c(Cl)cccc1Sc1nc2ccccc2o1 52909209 POSXUWGHIFRNAG-UHFFFAOYSA-N 286.743 4.504 30 10 CJEE CC[C@@H](CC#N)N[C@H](C)c1ccc(-c2ccccc2)cc1 54182508 XGNIIUJQHJKRGY-BEFAXECRSA-N 278.399 4.696 30 10 CJEE N#C[C@H](C(=O)C1CCCCCC1)c1ccc(F)cc1Cl 62610730 NXXYGXGTWDCEDL-AWEZNQCLSA-N 293.769 4.626 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1Cl)c1ccccc1 62791173 IJWRLEDZKDKHKN-HNNXBMFYSA-N 270.763 4.775 30 10 CJEE C=CCNc1ccccc1-c1nc2ccccc2s1 75825301 AIFFNTQIPRMBLC-UHFFFAOYSA-N 266.369 4.561 30 10 CJEE CC(C)C[C@H](C)CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 80460105 NBBIQJVLPCELFN-QWHCGFSZSA-N 292.448 4.515 30 10 CJEE N#CCc1ccc(Nc2ccc3ccccc3c2)cc1 82715858 CGRDGYGQFZTRDH-UHFFFAOYSA-N 258.324 4.649 30 10 CJEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1ccc(F)cc1 83193021 WPHPRFZSZSWNKS-IZZDOVSWSA-N 298.357 4.817 30 10 CJEE C=CCCC[C@@H](CSc1ccccc1Cl)NCC 90233062 XLAVWDNBQLBQDA-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE Cc1cc(OCCCCCS)ccc1C(C)C 94582775 PCTDYEOUJYRFOU-UHFFFAOYSA-N 252.423 4.597 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(OCCCC)cc1 97283266 QLIOHPFGFNCISX-GOSISDBHSA-N 275.436 4.872 30 10 CJEE CCCCCCC[C@H](CN)N1CCC2(CCCCC2)CC1 110026646 LWRZKOSWGIKRAP-GOSISDBHSA-N 294.527 4.721 30 10 CJEE CN(CC1CCCCC1)c1ccc(C(F)(F)F)cc1C#N 110255228 ADGPMXSGDCJBCI-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC(CC)(CC)CC2)C1 110265641 NZWDRUZLOBSQRI-KZNAEPCWSA-N 290.495 4.997 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cccc(C)n1 110481125 BCIYCPHIVZVTAF-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCCCOc1cc(C)ccc1[C@H](C)N 111237904 LULQJLCYXRZFSR-HNNXBMFYSA-N 263.425 4.754 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1C#N 112898292 CWFQAXZOKVGDBS-KRWDZBQOSA-N 264.457 4.895 30 10 CJEE CCCCCCCCN[C@H](C)c1cccc(OC)c1 112936035 ILCOFLBISHZUKC-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCCC[C@]1(O)CCCc2ccccc21 114871308 HBGPTIKBMHAYCK-SFHVURJKSA-N 260.421 4.961 30 10 CJEE CCCCCCCC[C@H](N)CSC1CCCC1 115646587 UEIZMKKDVRNXRG-AWEZNQCLSA-N 257.487 4.740 30 10 CJEE CCCCCCCCC[C@]1(O)CCO[C@@H](C(C)C)C1 115653878 QDNFRNDEUFPUSI-SJORKVTESA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1cc(C)cc(F)c1 118135065 DSMMRMMMXNBHBU-QGZVFWFLSA-N 281.415 4.658 30 10 CJEE CCCCCCCCCCCC[C@@H](CN(C)C)NCC 118217745 BPJXMKUMSBXGLY-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(C)cc1 125345281 AWYDNXUJEMAZLB-KRWDZBQOSA-N 262.441 4.640 30 10 CJEE CCc1cccc2ccn(CCCC(C)(C)C#N)c12 128422457 TVCLISHEDJJKBR-UHFFFAOYSA-N 254.377 4.534 30 10 CJEE CCCCCCC[C@H](O)[C@H]1CCOC2(CCCCC2)C1 148574895 NHZUASXUMCKIPG-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CC(C)[C@H](CS)CSCc1ccc(Cl)cc1 159186527 RDPJJPSVPAJDAU-GFCCVEGCSA-N 274.882 4.775 30 10 CJEE CCCCCCCCCCCC(=O)Cc1cnn(CC)c1 164525390 SZBZSTCJSMDLGJ-UHFFFAOYSA-N 292.467 4.936 30 10 CJEE C=C(C)CC[C@@H](CSC1CCCCC1)NCCC 164611456 NRIYPRHSMAJBTL-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE CCSc1cccc(N[C@@H](C)C[C@H](C)CC)c1C#N 167601804 OSXCQNAZWOGGSC-OLZOCXBDSA-N 276.449 4.907 30 10 CJEE CCCC(C)(C)Nc1ccc(C(F)(F)F)cc1C#N 169037229 ICPXIDFENOIISP-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)Cc2ccccc2)C1 222209511 OGODHEJORXWHIX-QRQLOZEOSA-N 284.447 4.617 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(OC)c2)C1 222247020 QUCZHBDDHPADCW-CPUCHLNUSA-N 289.444 4.896 30 10 CJEE C=CCCCCC[C@@H]1CC(C)(C)CC[C@H]1C(=O)O 232773258 SNMOPAOTKAIGOK-ZIAGYGMSSA-N 252.398 4.650 30 10 CJEE CCCCCCCCCCN1CC[C@H](CC)C[C@@H]1CN 232933649 VKLRJCKSXDKFNV-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCC[C@@](F)(CCCN)COC 232958428 HWDBAGGWLFXBID-MRXNPFEDSA-N 275.452 4.611 30 10 CJEE C=CCCCCC[C@@H](N)CSc1ccccc1C 235793001 RIXWXULEUNMACP-OAHLLOKOSA-N 263.450 4.551 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(C)cc1Cl 235805595 VEYWOWRYDVLRIJ-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)C[C@@H]1O[C@@H]1C 250961084 QPNIGMCURMUOSJ-QINHECLXSA-N 296.410 4.855 30 10 CJEE CSc1nc2ccc(N=Cc3ccccc3)cc2s1 254566841 NLWJHIYLWREELI-UHFFFAOYSA-N 284.409 4.769 30 10 CJEE CC(C)(C#N)C[C@@H]1CSc2ccc(Br)cc21 260039292 BXGFQVZHGBPHDF-SECBINFHSA-N 296.233 4.578 30 10 CJEE CC(C)(C#N)C[C@H]1CSc2ccc(Br)cc21 260039300 BXGFQVZHGBPHDF-VIFPVBQESA-N 296.233 4.578 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1C 308059363 WCKZKPFVLOWOGV-WBVHZDCISA-N 271.404 4.634 30 10 CJEE C=C([C@@H](NCCC)[C@H](CC)CC(C)C)C(F)(F)F 308090454 GGINLMNRPISBLY-CHWSQXEVSA-N 265.363 4.545 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2CCCC(F)(F)C2)C1 310412200 NTWAZYFTAAOYTE-NSHDSACASA-N 256.336 4.518 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CC2CCC1CC2 311172723 RRUAYFNNPDZZKY-BHUNQDJPSA-N 251.458 4.891 30 10 CJEE Cc1cc(N[C@@H]2CCCC23CCCCC3)ccc1C#N 313041729 YCLVLPBVLNXWBP-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C=O)CCc2ccccc21 316657024 RUZBYEPWOILXOD-QAPCUYQASA-N 258.405 4.676 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2CSc3ccccc32)C1 317090761 DKFIMQUNKZMJBQ-KEYYUXOJSA-N 274.429 4.661 30 10 CJEE Cc1ccccc1N[C@](C)(C#N)c1c(F)cccc1Cl 380322398 OJSDWPGYHGPSRV-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CCN(CC(C)(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 383858707 SFVODNYZFJYXSG-OWCLPIDISA-N 278.484 4.709 30 10 CJEE CCC(C)(C)c1ccc(OCCCCCC#N)cc1 385401979 WIZKDWLRCPCXQQ-UHFFFAOYSA-N 259.393 4.837 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@H]1CSc2ccccc21 387165295 MIQAPNPHEVVYRB-CVEARBPZSA-N 289.488 4.704 30 10 CJEE C=C(COCC)[C@H](CCCCCCCC)NCCC 387681177 SFDXNOWDDUYUPG-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)o2)C1 393532988 NBGNRNYZIVQABF-BXUZGUMPSA-N 296.208 4.695 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1oc2ccccc2c1C 393772071 HRYDETGDECAAJB-ZIAGYGMSSA-N 257.377 4.747 30 10 CJEE CCCCCCCCCCCCN[C@H](CO)C(C)(C)C 393982761 SFRFITFQTTYWSU-QGZVFWFLSA-N 285.516 4.904 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 398073028 ANCCSGMDILOZGV-STQMWFEESA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)C[C@@H](O)C1 401496705 LCNWSLORJGJTGM-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE Cc1cccc(C#N)c1Sc1nccc2ccccc12 401690042 ZQUFMJMSZGGOKY-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE CC[C@@H](CC(F)(F)F)CC1(C#N)Cc2ccccc2C1 402326134 SJPYRVGCLVGBIX-GFCCVEGCSA-N 281.321 4.664 30 10 CJEE 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CCCCCCCNc1cc(Br)ccc1F 59325205 PPRZXCCTFLCPIM-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C 68585117 FKDGZYNQFDMLTL-MJVIPROJSA-N 296.336 4.814 30 10 CJEE C=CCCCC(=O)C1(c2ccccc2)CCCCC1 71276217 NIGVPERRYSUUCE-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE C=CC[C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 72262769 WONGOIIGDOGYOO-CQSZACIVSA-N 298.367 4.739 30 10 CJEE CCCOc1ccccc1-c1cc(C#N)c(C(C)(C)C)o1 77085078 BMUBULGYTNOKKH-UHFFFAOYSA-N 283.371 4.905 30 10 CJEE CCCCN(CCCC(C)(C)C#N)c1ccccc1 87608793 OBAGVBVNXSCPMV-UHFFFAOYSA-N 258.409 4.623 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 91882902 RKCYPQUMQZLZMO-HFGWPOCOSA-N 287.403 4.547 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2C)c(Cl)c1 104005546 NVCSWNVHEFFRIT-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCOCc1cc(Br)cs1 104150596 UQASYGAUUOZWHP-UHFFFAOYSA-N 291.254 4.998 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)o1)[C@H](N)CC 109988752 MKHFDPVVPXZIEC-WBVHZDCISA-N 281.440 4.744 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccccc1C 115858007 BOMWWZKCQJRZJM-KRWDZBQOSA-N 271.404 4.922 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CCOc2ccccc21 116266878 GKWFWSJELNGEIU-DOTOQJQBSA-N 275.436 4.501 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](NCCC)C1(C)C 117341521 KMGRRPNNTATSCX-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc(C)cn1 117689702 CEYJLHMURVZJOC-UHFFFAOYSA-N 261.409 4.642 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H](CC)OC 124756906 FCEZRFWARGLMQV-SJORKVTESA-N 271.489 4.920 30 10 CJEE N#Cc1cccc(Sc2cc(Cl)ccc2Cl)c1N 131144544 GOZKMGAVZNVLDT-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C=C(CN[C@H](c1cccs1)C(C)C)c1ccccc1 134361847 OZQRPJXRPKLTPO-KRWDZBQOSA-N 271.429 4.748 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1Cc2ccccc2S1 158934296 TWDVKCLUQGTCKD-QAPCUYQASA-N 289.488 4.674 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCC[C@H](CC)C1 164621983 GENKBVIAGCNORR-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccc(Cl)c(Cl)c1 212967561 XDCHPUTYJKKICD-DOMZBBRYSA-N 297.229 4.823 30 10 CJEE CC(C)(C#N)CCCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 228016709 FZKOQRRNCCTBAX-JKIFEVAISA-N 263.425 4.548 30 10 CJEE C#CCCCCN[C@H]1CCCC[C@H]1C1CCCCC1 229640097 OXORTYRHKJEONR-ROUUACIJSA-N 261.453 4.519 30 10 CJEE N#Cc1c(Cl)cccc1OCc1cc(Cl)ccc1F 231106918 WXTRQELLHZYLRU-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=CCCCCCC(=O)c1csc(Br)c1 232484810 SBERPGGTDYQTOM-UHFFFAOYSA-N 287.222 4.830 30 10 CJEE CCCCCCCC[C@H](O)c1cnc(C(F)(F)F)s1 232925938 WXDHWNXFFRGNAV-JTQLQIEISA-N 295.370 4.946 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](OCC)C(C)C 233124357 ASYDONUZYHNDAB-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccoc1Cl 233546866 VGZVBMFPEXEPJQ-ZDUSSCGKSA-N 255.789 4.720 30 10 CJEE CCC(=NO)c1ccccc1O[C@H]1CCCC[C@H]1CC 252461504 IEJAZZFSJCAEPK-CJNGLKHVSA-N 275.392 4.623 30 10 CJEE C#CCCC[C@@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 252750436 FVZLASZYAZCWSA-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C[C@@H](C#N)c1cccc2ccn(C3CCCCC3)c12 260043741 OATBOPOUINQNFM-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE N#CCCc1cc(F)c(OCc2ccccc2)c(Cl)c1 260706748 NQCYUUYZCJRTQF-UHFFFAOYSA-N 289.737 4.514 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(C)cc1 308053166 ICZXVHMPZILWDK-DLBZAZTESA-N 271.404 4.634 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(F)cc(OC)c1 312336564 LYVJPCWVVSYNJK-KRWDZBQOSA-N 281.415 4.845 30 10 CJEE CSc1cccc(Oc2cc(F)c(F)cc2C)c1C#N 312610897 XAYLYZHWOFJZPB-UHFFFAOYSA-N 291.322 4.659 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCCC12CCCCC2 313009207 OAYRHCLJIXPHKN-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE N#C[C@]1(NC2CCCCCC2)CCCC12CCCCC2 313043078 REQMJBLPAJMYJP-GOSISDBHSA-N 274.452 4.696 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCOCc2ccccc2)C1 316789005 HHCVTJCCRIKRJK-MJGOQNOKSA-N 288.431 4.769 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)C1 317749878 RUWZLUKRSKEHRQ-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1 317911834 ISSQMLMEHOTKHE-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C(C)CCC1(CNC(C)C)CCC(CC)CC1 318031247 HYLHIUFLOQRQES-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@H](NCC)c1csc(C)c1 381365058 HYNXVRQTLPMQFH-HNNXBMFYSA-N 251.439 4.844 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCCc2ccccc21 381734075 NTSBQAQYYMYPQJ-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(F)cc1Cl 384886684 SGXGKGMWFJFWRM-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cccc2ccsc12 386484157 XGUNJJJBUWPHGN-OAHLLOKOSA-N 271.429 4.601 30 10 CJEE CCCCCCCN[C@@H](C)CCOCc1ccccc1 389937874 KSOUGGLAOIRPJO-KRWDZBQOSA-N 277.452 4.542 30 10 CJEE CCC(C)(C)C1CCC(O)([C@@]2(C#N)CCC[C@H]2C)CC1 395076615 RCUYSYJNLOSARL-LMMWMHBBSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC[C@H]1C(C)C 395860233 RSXOSKRBZDVVSP-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCC1(O)C[C@@H]2CC[C@H](C1)S2 403703444 SINPGVCIORTQGE-XYPWUTKMSA-N 270.482 4.916 30 10 CJEE C=CCCCCC[C@@H](CC(C)(C)C1CC1)NCC 405769302 ZFOGPGUVYSIOJP-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C[C@H]1CC(=O)C=C(c2cc(C(F)(F)F)ccc2Cl)C1 406036734 QLMSFLCSBFEMGL-MRVPVSSYSA-N 288.696 4.741 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCC12CCCC2 505004521 DPTMUNDVOCOTST-QGZVFWFLSA-N 298.430 4.650 30 10 CJEE C[C@@H]1CC[C@H](/N=C2/NC3(CCCCC3)CCS2)C[C@H]1C 687318865 XHHPSDHSOPQGJV-KFWWJZLASA-N 294.508 4.597 30 10 CJEE CC[C@H](CC(F)F)CC1(C=O)CCC(C)(C)CC1 688767155 NTMJRHXNCSTHGC-GFCCVEGCSA-N 260.368 4.843 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1F 691161403 ALECSIKMVWTNCJ-GOEBONIOSA-N 274.383 4.714 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CC2CCC1CC2 691670010 BVXZDIXOBNPVNV-ODZFXCKXSA-N 263.469 4.783 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(CNC)cc1 695857324 ZTZOXLNLRWFVIF-SFHVURJKSA-N 277.452 4.580 30 10 CJEE CCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698450758 CGMFTPIGLQQXJK-PBHICJAKSA-N 296.455 4.885 30 10 CJEE CCC(C)(C)CC(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 700293489 YEPBTTOGNDNZDN-INIZCTEOSA-N 271.404 4.813 30 10 CJEE CCC1(CC)CN/C(=N/CCCC2CCCCC2)SC1 703382605 OQZWCGCFJHTZOE-UHFFFAOYSA-N 296.524 4.846 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)CSCC 707155417 NBPMDDKORRBJQA-CQSZACIVSA-N 291.570 4.576 30 10 CJEE CCCCCCCC[C@](C)(N)c1sccc1C 707569829 VTQRZUIEXWCTCR-HNNXBMFYSA-N 253.455 4.981 30 10 CJEE C=CCC1(Nc2cc(C)c([N+](=O)[O-])cc2C)CCCC1 710765158 BSCDZBCLHIDHIQ-UHFFFAOYSA-N 274.364 4.512 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CC(C)(C)CC[C@H]2C)c1 713080168 ZPYHFRXZIUIGIB-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE CCCCCCCC[C@H](NCC)c1cc(C)co1 716152936 KTCDSGWXRKDIQW-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE C=C(CC)C[C@H](NCC)c1csc(C(F)(F)F)c1 718617740 UWGBBCYRZYOZDO-NSHDSACASA-N 277.355 4.774 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1(CC)CNC1 722915742 UQSMQCUNYHCVNV-KRWDZBQOSA-N 283.500 4.658 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2ccccc2)CC1 724575178 KBKHKDYFNHVSQB-SFHVURJKSA-N 257.421 4.864 30 10 CJEE CCCCCC/N=C1/N[C@H](C2CCCCC2)CCS1 725085831 SSMGYCXPPHQRAT-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE C=C1CCC(C(=O)N(CCC)c2ccc(Cl)cc2)CC1 1126127229 GCHMJRNAQFMFFW-UHFFFAOYSA-N 291.822 4.829 30 10 CJEE CCCCCCCCN(C)Cc1ccc(Cl)cn1 1136929756 VJDXJKFYNOOTQO-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C=CCCN(Cc1c(C)cccc1C)OCc1ccccc1 1169452635 VYXQAZAKTFXHMK-UHFFFAOYSA-N 295.426 4.813 30 10 CJEE C=C(C)CN(CCCCC1(C#N)CCC1)Cc1ccccc1 1169952430 INCNXDKVXGUIEI-UHFFFAOYSA-N 296.458 4.929 30 10 CJEE C#CCCSC(c1ccccc1)c1ccccc1 1187980182 FREOOSITWBESMW-UHFFFAOYSA-N 252.382 4.533 30 10 CJEE C=C(CC)CN(Cc1ccccc1C(F)(F)F)CC1CC1 1194262245 LMNCPLFRIUUQRP-UHFFFAOYSA-N 297.364 4.884 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(Br)cc2)C1 1199483266 OAPVPLOACRXAOH-RISCZKNCSA-N 280.209 4.606 30 10 CJEE CC(F)(F)c1ccc(Nc2ccc(C#N)c(F)c2)cc1 1212676361 SYXAYHMBEWJCPS-UHFFFAOYSA-N 276.261 4.553 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCc1ccc(C)cc1 1265133715 VIHVPQAEPORFBF-UHFFFAOYSA-N 299.458 4.523 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)c1ccccc1C 1459342886 ARHDSZVEYZPWBS-INIZCTEOSA-N 283.390 4.883 30 10 CJEE C=CC1(CC(=O)N[C@H](CCC)C(C)(C)C)CCCCC1 1460162353 UGZBJBJHOXRULW-OAHLLOKOSA-N 279.468 4.844 30 10 CJEE C=CC(C)(C)CCCNCc1ccccc1C1CC1 1461734111 WABDFURWUBMFBI-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C=CCCC(C)(C)CNCc1ccc2nc(C)ccc2c1 1462490817 JGTWZKUDVPPHCX-UHFFFAOYSA-N 282.431 4.625 30 10 CJEE C#CCN(Cc1ccccc1)[C@H](C)c1ccccc1Cl 1473453741 JAWILJMZGPGMQA-OAHLLOKOSA-N 283.802 4.536 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 1474445893 MLOUUSRUMATGTI-DZKIICNBSA-N 269.388 4.828 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@@]23CCCC[C@H]2C3)c1 1477188687 PBGNRRVQVYRIMT-ALKREAHSSA-N 298.430 4.810 30 10 CJEE C=C1CCC(CNC(=O)c2cc3cccc(C)c3s2)CC1 1534406586 WPAYZRGQPUHAMK-UHFFFAOYSA-N 299.439 4.686 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@H]2CCCC[C@@H]2C)c1 1537410069 XBWSDFILXAHMFI-GOEBONIOSA-N 271.404 4.875 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)CC1)c1ccccc1 1538808495 MAZAVVPPFIHXST-UHOSZYNNSA-N 299.458 4.821 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)/C(C)=C/C1CCC(C)CC1 1539319961 OCSNBMNLNJZMMB-RZYNOACPSA-N 289.463 4.716 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CCOC2(CCCC2)C1 1560781823 BTDJLGWOYCBHPM-QGZVFWFLSA-N 285.431 4.709 30 10 CJEE C=C(C)CCNC(=O)CC1CCC(C(C)(C)CC)CC1 1583294987 DMFJBJJDIWISAJ-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C#CC(C)(C)N(C)Cc1ccc(C2CCCCC2)cc1 1617175630 GMIUIDSSKWXBJI-UHFFFAOYSA-N 269.432 4.578 30 10 CJEE C=CCCCCN1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C 1618195484 CFEQUJUONGNSAK-SOLBZPMBSA-N 257.421 4.609 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2oc3ccccc3c2C)C1 1620796053 YCDRAFPLRYMCJE-CABCVRRESA-N 269.388 4.576 30 10 CJEE C=C(CC)CNCCCCc1cccc(C(F)(F)F)c1 1621391703 DHLZBNWNCBNHGI-UHFFFAOYSA-N 285.353 4.584 30 10 CJEE C=C(C)CCN1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1652659392 QFCJMBPRQSFHSR-NSHDSACASA-N 284.230 4.879 30 10 CJEE C=CCCCC[C@@H](C)NCc1coc(-c2ccc(C)cc2)n1 1653088008 BYIBRQPSJKLFJR-MRXNPFEDSA-N 298.430 4.875 30 10 CJEE C=CCCCCCN(C)[C@H](CC)c1cccc(OC)c1 1654375786 VQNJNGKZFRFXCD-GOSISDBHSA-N 275.436 4.825 30 10 CJEE C=CC(C)(C)CCCNc1nccc2c([N+](=O)[O-])cccc12 1655824530 NRYVPRCVHGTRPY-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE C#CCCCCCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 1657431716 OREDXGSXQIRADW-AEFFLSMTSA-N 287.447 4.945 30 10 CJEE 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277.452 4.578 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@@H](CC)CCCC)NC 2148626516 UEXYMJSYSKZOEN-KSZLIROESA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCCC1(C)CC1 2148724112 DRDKESCXMPMYEI-IRXDYDNUSA-N 283.500 4.786 30 10 CJEE CCCCC1CCC(C(=O)O)([C@@H](CC#N)C(C)C)CC1 2149222479 IODGNSZOEUSZII-CKDBGZEDSA-N 279.424 4.624 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@@]1(C)CCCS1 2149849734 IXCTVPZAPCFHRD-QZTJIDSGSA-N 293.520 4.614 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149964161 YEXJGCZIIUPUML-MHORFTMASA-N 275.480 4.621 30 10 CJEE CN(c1ccc(Cl)cc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c1ccc(C(F)(F)F)cc1F 2164152035 BQNVALSFMRXBSM-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1ccc(C)c(C)c1 2164476977 FTCCDNPLNMIIFB-ZWKOTPCHSA-N 273.420 4.621 30 10 CJEE CCCCCCCCCN[C@H]1CCOCC[C@H]1CCC 2165410082 LOIDIQSYIRMTJN-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE N#CC1(C[C@@H]2CC3(CCCCC3)CO2)CCCCCC1 2166216562 FOYAOGYNSVXVQA-MRXNPFEDSA-N 275.436 4.980 30 10 CJEE CCCCCCCC[C@H](NN)[C@]1(C)CCCCC1(F)F 2167941611 FLPOSGXKRRGUMJ-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE C=CC1(C[C@H](NCC)c2ccc([C@H]3C[C@@H]3C)o2)CCC1 2168022742 HWOGEWZXOLCTHS-KKUMJFAQSA-N 273.420 4.800 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(O)[C@@]1(C#N)CCCC(C)(C)C1 2168542875 UUQQQQBIUNSJQT-FHLIZLRMSA-N 277.452 4.674 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2173660460 SBTSXCINGNFOBJ-HLPPOEQASA-N 284.390 4.843 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1CCCCC12CC2 2173672778 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CCCCCCCCN(C)c1ccc([C@@H](C)NC)cc1 2196734689 NPIQGTSVBCCLIM-MRXNPFEDSA-N 276.468 4.764 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNC2CC2)CCCC(C)(C)CC1 2196836509 KJRJCWYTERNBHW-VQIMIIECSA-N 275.480 4.765 30 10 CJEE Cc1ccc(N[C@H](C)c2c(F)cccc2Cl)cc1C#N 2199337153 FXGHVINYWOOXQS-LLVKDONJSA-N 288.753 4.832 30 10 CJEE SCC1(COC[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 2200688375 XPAQAAVONYWXIJ-DLBZAZTESA-N 290.472 4.687 30 10 CJEE CCCCCCCCN(C)[C@@H](CCC)CNC1CCC1 2202547385 OLVJWLHEIWFPTD-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCC#CC[C@@H](NCCC)c1csc(CC)n1 2203792421 PXCZXQVNZMNIBC-OAHLLOKOSA-N 292.492 4.720 30 10 CJEE CCCCCC#CC[C@@H](C[C@H](C)C(F)(F)F)NCCC 2203821687 FOPXFDJVECZJPX-GJZGRUSLSA-N 291.401 4.917 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1CCC2 2206897388 MNJVVLCRXWGIDV-FGTMMUONSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCCC[C@@H]1C[C@@H](COC)C[C@@H]1NC 2207401288 AWKACZGBTUYMAC-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccncc1CC 2207404421 SVFDIJNYTPVOHD-GOSISDBHSA-N 275.436 4.984 30 10 CJEE C=CCCCCCCCCC[C@H](O)C1CCC(N)CC1 2207426690 FOKIKSISNBQBNQ-ABHNRTSZSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](NCC)c1cc(C)on1 2207427209 KPCPFWDHJYTRMH-INIZCTEOSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1CCOC1(C)C 2207434040 BQHFYGSGRKVNCB-DLBZAZTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@@H](C)COC 2207434250 FEAYWOGNRHOONP-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCC[C@H](N)[C@@H](O)CCCCCCCC 2207448879 LFYDLVXFGAXNGF-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCN(Cc1ccccc1)c1c(C=O)sc(C)c1C 2209921779 XNVLAYFYDAFUTM-UHFFFAOYSA-N 299.439 4.760 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1ccc(F)c(Cl)c1 2213206115 XIWULTGMAHMOCE-JBLDHEPKSA-N 253.748 4.768 30 10 CJEE CC1(COC[C@H](CS)C(C)(C)C)CC2(CCC2)C1 2221004411 FRLQGJQHGCFJSH-CYBMUJFWSA-N 270.482 4.566 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC(C)(C)OC 2223834277 SMXSTTDIUFDYRX-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE CCC(C)(CC)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225676563 ZPOZAHPXDVVHBC-GFCCVEGCSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)c1ccon1 2227268232 NVMYAMACQSEEFY-OAHLLOKOSA-N 264.413 4.632 30 10 CJEE C=CCCCCCCC[C@H](NCC)C(C)(C)OCC 2227274709 WYAGUQSNDQNDGH-INIZCTEOSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1CC(F)(F)C1 2227285622 KGWZJXPFUNXDFT-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H](CCC)C(C)C 2227291860 VPAZDOUCIDZPAO-IRXDYDNUSA-N 268.489 4.807 30 10 CJEE CCCCCCC[C@@H](NC)c1ccnc(C(C)C)c1 2228155548 DWIOLXXPDXLAPS-MRXNPFEDSA-N 262.441 4.826 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCSC1 2230718589 WPVRTULYARJXOC-LTIDMASMSA-N 280.477 4.695 30 10 CJEE C=C[C@H](CCCCC)O[C@@](CC)(CCCC)C(=O)O 2231040243 OEGZBJPBSMNUPA-ZBFHGGJFSA-N 270.413 4.562 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@H](N)[C@@H]1C 2231079989 NVHRMRUAFYKSCE-YESZJQIVSA-N 269.473 4.660 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(F)c(Cl)c1 2231516270 ZJCHRORZQYYOFH-BLLLJJGKSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC(C)(C)[C@@H]1OC 2231939565 IBGZMXPBBQWQOY-ARFHVFGLSA-N 269.473 4.529 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@@H](OC)C1CC1 2231945310 DYXVIMPXQNHFSF-YQQAZPJKSA-N 269.473 4.529 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1OC[C@H]2CCC[C@@H]21 2233143831 XIUNFSMCYJTMAB-VSZNYVQBSA-N 282.468 4.693 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2235519973 VNVKBEQZAXRQDA-UGUYLWEFSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCC[C@]1(N)CCc2c(F)cccc21 2235533679 VBPXFSSMJSXDBF-SFHVURJKSA-N 275.411 4.843 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)C1(C)CC(C)(C)C1 2235534504 ZNVYHXDLRIWNDQ-MRXNPFEDSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@H](C(C)C)C1 2235536835 YNNQWWNEEHCBSL-WMZOPIPTSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCN(CCOC)C1CCCCC1 2235788106 YBGLPKHUGUFAQT-UHFFFAOYSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 2235788203 ZEBGBAHTTRRRMQ-QTMHVTGLSA-N 275.480 4.879 30 10 CJEE CCCCc1ccc([C@H](C)NCC#CC(C)(C)C)cc1 2238720427 UHQMMLIZTCJBGO-INIZCTEOSA-N 271.448 4.729 30 10 CJEE 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C=CCC(C)(C)CN[C@H](C)c1cc(Cl)ccc1OC 2268076308 FNFXAALVHIUYBF-GFCCVEGCSA-N 281.827 4.602 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc(OC)c2Cl)CC1 2268081703 MXEGHOGLHGCIBR-NSHDSACASA-N 278.779 4.668 30 10 CJEE CC[C@H]1CCC[C@H](NCC=CC#CC(C)(C)C)CC1 2268751723 BFXOXTWMSCUMOM-IRXDYDNUSA-N 261.453 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CC(=O)CC2(CCC2)C1 2268769814 QHYAYCYSFGMIEG-OAHLLOKOSA-N 258.405 4.522 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@]1(C)COC 2269292393 POPUPAPEKYDFKO-WBVHZDCISA-N 268.441 4.759 30 10 CJEE CCC[C@H](CC)[C@@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2272107671 FNKDRQSMYIRWEK-ZMSDIMECSA-N 265.441 4.674 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)COC(C)(C)C1 2272284432 OWZFLSOQMWMLRA-RDJZCZTQSA-N 265.441 4.938 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@]23CCCC[C@H]2CC3)C1 2273336638 GOCZIWXKPMYYJY-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE CC(C)C1CCC(C(=O)C#CC2CCCCC2)CC1 2273899294 FPLWKZWPQHYNKK-UHFFFAOYSA-N 260.421 4.602 30 10 CJEE CCCC[C@H](C)CC[C@H](C#CC1CCCCC1)NC 2274075901 XVPAZZWIDRLGQG-FUHWJXTLSA-N 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30 10 CJEE CC[C@H]1CC=C(C(=O)c2c(F)cccc2Cl)CC1 2061178985 NOBLRENFMLTDGD-JTQLQIEISA-N 266.743 4.798 30 10 CJEE CC[C@@](C=O)(C[C@H]1CSc2ccccc21)C(C)C 2064511598 HEEALRYWOBLCQJ-BBRMVZONSA-N 262.418 4.517 30 10 CJEE CC(C)(C)[C@@H](CS)CN1CCCCCCCCC1 2065852703 VSKQWSDBOFLIPL-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE Cc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)cc1 2070092272 VAWXFHHTDMELRI-OAHLLOKOSA-N 293.414 4.720 30 10 CJEE C#Cc1cc(C2CCC2)nn1[C@@H](C)c1cccc(C(C)C)c1 2070119961 BOGSSTSZNNQIIW-HNNXBMFYSA-N 292.426 4.865 30 10 CJEE C=CCCCC[C@H](C[C@H](C)P(C)(C)=O)NCCC 2072384381 UBELJXLGRDOKSO-LSDHHAIUSA-N 273.401 4.502 30 10 CJEE CCCCC[C@@H](CC)N(C)C[C@@H](CS)CC1CC1 2073417824 CCJDPROJMFKOGB-JKSUJKDBSA-N 271.514 4.623 30 10 CJEE C=C[C@H]1CCN(Cc2sc3ccccc3c2Cl)C1 2075097768 JEOGIZXVOMAJNO-NSHDSACASA-N 277.820 4.563 30 10 CJEE CC(C)(C)[C@H]1C[C@H]1CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2079891177 RXTMIADVCHMMQS-AKFOCJAPSA-N 263.450 4.627 30 10 CJEE CCCCC#CC[C@](C)(O)c1ccc(Cl)c(Cl)c1 2083391642 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2179676178 DHECEOSZTBAQPN-HNNXBMFYSA-N 273.351 4.832 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@H]2C[C@@H](OC(C)(C)C)C2)CC1 2181640217 CDNSBYFQXUTZFI-BMFZPTHFSA-N 278.436 4.532 30 10 CJEE C=CCCCC[C@@]1(CNC(C)(C)C)CCC[C@H](OC)C1 2182794210 YPFIZELJJKMXMR-FUHWJXTLSA-N 281.484 4.696 30 10 CJEE N#CC1CC(CNc2ccccc2SC2CCCC2)C1 2184168468 AEZXAUSCDKQAIN-UHFFFAOYSA-N 286.444 4.683 30 10 CJEE CC[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1 2184460353 OSIOHERLMKCSHH-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCOC2CCC2)C1 2184670654 GZPBOETXOVBHMA-LZWOXQAQSA-N 295.492 4.643 30 10 CJEE C[C@@](C#N)(CCCCCCCCCO)c1ccccc1 2190644965 ATRYDZAVACKHCU-SFHVURJKSA-N 273.420 4.581 30 10 CJEE CCCC1CCC(CN(C)C[C@@H](CS)CC2CC2)CC1 2192822375 YMZDSMXKQXVIFV-VJFUWPCTSA-N 297.552 4.871 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](N)C[C@H]1CC[C@H](C)CC1 2193053963 TZBNMCDHHBVKEZ-XLAORIBOSA-N 283.500 4.642 30 10 CJEE CC[C@H]1CC[C@H](CC2(C#N)Cc3ccccc3C2)CC1 2193068875 MZSNVPGKZWJNAG-WKILWMFISA-N 267.416 4.902 30 10 CJEE CCCCC[C@H](CC)N(C)[C@@H](CC#N)c1ccccc1 2193690039 FGKUDVPXAPYLTC-ROUUACIJSA-N 272.436 4.932 30 10 CJEE C=CC1(CN[C@@H](C)c2cc(F)c(F)c(F)c2)CCCC1 2194713954 KGSHLNBHXRJPHL-NSHDSACASA-N 283.337 4.501 30 10 CJEE C=CCN(CC=C)Cc1c(C)cc(C(C)(C)C)cc1C 2195369975 DNSTZDUNIKVOSY-UHFFFAOYSA-N 271.448 4.775 30 10 CJEE C#C[C@@H](c1ccccc1)N(C)[C@H]1CCCC(C)(C)CC1 2195500234 LSZFBWJYCGTKQH-ROUUACIJSA-N 269.432 4.652 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)C(CC)(CC)C(F)(F)F 2196837151 OTEKGVLTZZCOLS-UONOGXRCSA-N 291.401 4.773 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1CCCC1(F)F)NCC 2197139396 IYLTZPAXABAYFI-CVEARBPZSA-N 279.374 4.503 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccc(C(C)(C)C)cc1 2197148230 DPIQIYPMYRXMPD-SFHVURJKSA-N 265.400 4.697 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CCOCC1 2200210017 LFZUGZUEWPMIFM-KSZLIROESA-N 282.468 4.551 30 10 CJEE CCCCC#CC[C@](C)(O)c1ccc(C(C)(C)C)cc1 2203778140 JVOBBVDHNSAFNN-IBGZPJMESA-N 272.432 4.775 30 10 CJEE CCCCCC#CC[C@@H](O)c1cccc(C(C)(C)C)c1 2203787251 KKXDAUFICWPVAV-GOSISDBHSA-N 272.432 4.991 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@]1(C)C[C@H]1C(F)(F)F 2203834752 SIBPFBGZWMEIQC-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CC(C)[C@@H]1CC[C@@](O)([C@]2(C#N)CCCC(C)(C)CC2)C1 2206210538 UUQSLLRPIOFHND-NXHRZFHOSA-N 277.452 4.674 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CCCO1)NCCC 2206886528 RPJALVUCDJQEDZ-MSOLQXFVSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)C[C@H](OC)C1(C)C 2207424985 LLMVDAHKPQWBSY-FUHWJXTLSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCN(CCCO)C(C)(C)C 2207426290 ZRSQMJUIRFVLMV-UHFFFAOYSA-N 283.500 4.776 30 10 CJEE C=CCCCCCCCCNCc1cnc(C(C)C)o1 2207432585 QOCZJGBFNJSUPI-UHFFFAOYSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCCCCC(=O)CC[C@@H]1CCCN1 2207437559 MRCYUPHFBZGEEI-KRWDZBQOSA-N 279.468 4.785 30 10 CJEE C=CCCCCCCCCCNCCCOC(F)(F)F 2207440344 DHJXJJWSBNFIMT-UHFFFAOYSA-N 295.389 4.809 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1CCC=CO1 2207445378 BMHFQNCZISRTQA-MSOLQXFVSA-N 279.468 4.964 30 10 CJEE CCCCCCCC[C@@H](O)[C@]1(C#N)CCCC(F)(F)C1 2207460372 ZGLAWOGEQHGKEA-HUUCEWRRSA-N 287.394 4.817 30 10 CJEE N#C[C@H](c1ccc(F)c(Cl)c1)C1CCCCC1 2213215564 INLBVTNVWGUVFU-LBPRGKRZSA-N 251.732 4.667 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc(CC)o1 2220085974 DGARMNPPICQJLS-OAHLLOKOSA-N 250.382 4.792 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 2220087749 JSRHTWUUWDAXJT-TWMKSMIVSA-N 250.426 4.700 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2225338382 XHZFVDVTYRXMGW-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C/C=C/c2ccccc2)C1 2226192037 DUSWVURGOYSQSI-QPXZKVABSA-N 256.389 4.875 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](c1cccs1)C1CCCC1 2226321668 HYOYFRHPMMXJDY-RDJZCZTQSA-N 275.461 4.617 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1nc(C(C)(F)F)cs1 2226472279 WEXCWNBUEQXNJR-MNOVXSKESA-N 288.407 4.508 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(C)nc(C)c1 2227273195 GULXYCUSFCOZJN-QGZVFWFLSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2227274977 WJAZJZRNBMRLLN-XGUBFFRZSA-N 272.379 4.555 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)[C@H](C)CC(C)C 2227280231 AYXPVQRPRFDGLI-WBVHZDCISA-N 268.441 4.515 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2228031454 CCLGGTQQIXSQML-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCOc1cc(C)sc1CNCCC 2229223737 DZCHIOBCTRPGEN-UHFFFAOYSA-N 283.481 4.905 30 10 CJEE CCCCCCCCO[C@@H]1CC[C@@H]1CN[C@H](C)CC 2230192136 CFQYDHBJCCXPCN-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCOc1cc(C)c(F)cc1N 2230976142 FWRDTOHPNAERLV-UHFFFAOYSA-N 267.388 4.846 30 10 CJEE C=C[C@H](CC)O[C@@H]1CCCCCCCCCC[C@H]1N 2231023306 UUHNAPLTKDHOJR-BRWVUGGUSA-N 267.457 4.578 30 10 CJEE C=CC[C@@H](CNC1CCC1)[C@H]1CCC2(CCCC2)C1 2231499982 NKUMIOLMILPWPD-HOTGVXAUSA-N 261.453 4.681 30 10 CJEE C=CCC[C@@H](CCCC(F)(F)C(F)(F)F)NCCC 2231736027 OFDTVAFTERMWCN-NSHDSACASA-N 287.316 4.689 30 10 CJEE CCCCCCCC[C@@](C)(N)CCC[C@@H]1CCOC1 2231897738 CHICWXLMROLYDT-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@H]2[C@H]1C2(F)F 2231924376 QGNMLJHYPNKLNG-BYNSBNAKSA-N 273.411 4.759 30 10 CJEE CCCCCCCC[C@H](C)NCC(C)(C)OC(C)C 2231946432 PJVMMHVSCYUOLW-INIZCTEOSA-N 271.489 4.919 30 10 CJEE C=CCCCCO[C@@H]1C[C@H](C(C)C)CC[C@H]1NCCC 2234039437 BFPJDEJICMKKER-KZNAEPCWSA-N 281.484 4.552 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)CCCCC1CC1 2234063009 GNWPRKKUCYVJGR-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@](C)(O)c1ccnc(C(C)(F)F)c1 2234974803 OUHFZNWZPOFLIU-HNNXBMFYSA-N 285.378 4.761 30 10 CJEE C=CCCCCCCC[C@H](Cc1cscn1)NCCC 2235514102 QJGDHGSUKSMRPR-MRXNPFEDSA-N 294.508 4.971 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ncc(CC)[nH]1 2235522734 XMMBPDIPVMPDJM-MRXNPFEDSA-N 277.456 4.539 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCOC12CCCC2 2235532168 HPGSMVDUMLZSLJ-SJORKVTESA-N 280.452 4.613 30 10 CJEE C=CCCCCCCC[C@]1(N)CCC(C)(C)C[C@H]1OC 2235533272 SNUPUKRKTZGJCK-AEFFLSMTSA-N 281.484 4.826 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1sc(C)c(C)c1C 2236837889 MXXFKDPWQCFJBT-MRXNPFEDSA-N 295.492 4.695 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC23CC(C(C)C)(CO2)C3)C1 2238244445 KUXHITDQOFTYBK-MRLCAUJQSA-N 275.436 4.692 30 10 CJEE C=C[C@@H](CC)OC[C@@H](NCCC)c1c(F)cccc1Cl 2239492229 IIQBHBMGALTBNZ-SWLSCSKDSA-N 299.817 4.501 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ncccc1C1CC1 2240616004 LKKGDKFVMVHPQW-GOSISDBHSA-N 274.452 4.884 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CCC[C@@H]1OCC2 2240639565 GUNWDOYBYQPPFE-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE O=CC1(Cc2cccc3ccoc23)CCCCCCC1 2241176916 FHEFVFXXMGZXGN-UHFFFAOYSA-N 270.372 4.905 30 10 CJEE CCCCCCSc1ccc(C#N)c(Br)c1 2246091815 PAUMHLRWTFFGDL-UHFFFAOYSA-N 298.249 4.993 30 10 CJEE N#Cc1c(Cl)cccc1SCC1=CCCCC1 2247562583 NCLLBNINPYUPGJ-UHFFFAOYSA-N 263.793 4.804 30 10 CJEE N[C@H](C#CC1CCCCC1)c1cc(Cl)sc1Cl 2251429340 CKRFNAOEXQOWQT-LLVKDONJSA-N 288.243 4.638 30 10 CJEE CC(C)(C)C#CC=CCC#Cc1ccc(Cl)cc1 2256715988 NSCNVAMGEOTATB-UHFFFAOYSA-N 256.776 4.687 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CCC[C@H]1C(F)F 2257789304 JAVBOWACIKLGFB-HZSPNIEDSA-N 261.400 4.746 30 10 CJEE CSc1cccc(SCCC2CC(F)C2)c1C#N 2257905164 GIFFBRMSWFRBEU-UHFFFAOYSA-N 281.421 4.510 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC[C@@H]1CN 2258979391 USWCZAVUEGETKG-CVEARBPZSA-N 269.498 4.764 30 10 CJEE C=CCCSc1ccc(CN[C@H](C)CC)cc1Cl 2258982296 YFCAXPKMKNBDHS-GFCCVEGCSA-N 283.868 4.896 30 10 CJEE C=CCCCCCCCSCc1cccnc1F 2259051509 NLBKSOKPEMVCFL-UHFFFAOYSA-N 267.413 4.981 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc(Cl)cc1F 2259189879 HDOAYEDPPIXNMI-OAHLLOKOSA-N 270.775 4.823 30 10 CJEE SCCCCCCCOC[C@H]1C[C@H]1C1CCCC1 2263156190 XCWMGDNEELRPJB-CVEARBPZSA-N 270.482 4.710 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1[C@H]2CCC[C@H]21 2263712321 NIGBQVYVFFTXMM-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@H]1CCCC12CC2)NCCC 2266638557 DLGYMXRWVCJVBO-BBWFWOEESA-N 263.469 4.927 30 10 CJEE CC(C)(C)C#CC=CCCc1ccc2c(c1)CCC2 2268749169 XMMSHOHXMNEPER-UHFFFAOYSA-N 252.401 4.714 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(Cl)c(F)c1 2268827656 WTYJESZYLUUDEC-OAHLLOKOSA-N 280.770 4.508 30 10 CJEE C#CC[C@H](COCC[C@H](C)CCC=C(C)C)C1CC1 2269596974 ZHGGHKWHPASSMY-SJLPKXTDSA-N 262.437 4.825 30 10 CJEE C#CC1(NC[C@H](CC)CCCC)CC2(CCCC2)C1 2272604262 GYVSQPPCICUQCJ-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CC(C)[C@H](C#N)CNc1cccc(C2CCCC2)c1 2273529766 HKMVHDBKWXNOMA-MRXNPFEDSA-N 256.393 4.552 30 10 CJEE CCCC[C@@H](C)CC[C@@H](C#CC1CCCC1)NCC 2273967346 SCPLEIOELPODSJ-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(C#CC2CCCC2)CC1 2273991480 FAGRIHSEAOYYGS-SJLPKXTDSA-N 261.453 4.504 30 10 CJEE C=C(C)CC[C@H](C)NCc1cccc(C(C)(C)C)c1 2274512734 ZYCOKMTWSJPJIL-HNNXBMFYSA-N 259.437 4.819 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@]1(C)CC1(C)C 2276772340 SEFUILLWZQWZIR-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CO)C(C)(C)C 2278236003 PIHQLSUPSFJTAJ-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE CCCCCCCCOc1ccc(C[C@H](C)N)c(C)c1 2282938261 OMJVNVOUKQHUTA-INIZCTEOSA-N 277.452 4.624 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(OC)ccc2Cl)CCC1 2283355777 KNVWMEYDFBPFLN-MRXNPFEDSA-N 293.838 4.746 30 10 CJEE CCCc1ccc(CNc2ccc(Cl)cc2C#N)cc1 2283496219 PTXRQPFRSGQKHL-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE C[C@H]1CC[C@@H](CSc2cc(C#N)c3ccccc3n2)C1 2284047228 DPFLUZYBKRAXFW-QWHCGFSZSA-N 282.412 4.635 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(F)c(Cl)c1F 2284077635 VDWCKCAJYFOTEX-CYBMUJFWSA-N 298.760 4.647 30 10 CJEE CCC[C@@H]1CC[C@H](CN)[C@@H](CC=CC#CC(C)(C)C)C1 2284083904 LYKYAFOCSNZFEV-FGTMMUONSA-N 275.480 4.774 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)Cc1ccc(Cl)cc1 2284089420 MAEZLUDNHYRDFD-SFHVURJKSA-N 289.850 4.596 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)c1coc(C)c1 2284161230 HJCFCMZEZWTYEE-QGZVFWFLSA-N 273.420 4.625 30 10 CJEE CC(C)CCC[C@@H](C)CCOCc1cccc(C#N)c1 2284894828 IEHINMGCNXLKNX-MRXNPFEDSA-N 273.420 4.927 30 10 CJEE O=C[C@]1(CCCCCCCCCCCO)CC=CCC1 2286815620 BIIBVXYDQMHMAG-GOSISDBHSA-N 280.452 4.805 30 10 CJEE C[C@H]1CC[C@@](C=O)(CCCCCCCCCCCO)C1 2286832751 XROZYGYVBRYQMA-ROUUACIJSA-N 282.468 4.885 30 10 CJEE C=C1CC([C@@H](NCCC)c2cc(F)cc(C(F)F)c2)C1 2287363404 OOZYEUQCZDORGG-OAHLLOKOSA-N 283.337 4.770 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@]12CCCC[C@@H]1CC2 2288982989 ZXHWSHYSJCIPRN-ZHALLVOQSA-N 275.480 4.765 30 10 CJEE C=CCSc1ccccc1NCC1CC2(CC(F)C2)C1 2289540537 YIMBPZBTOJYSJD-UHFFFAOYSA-N 291.435 4.905 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H]1CCCC2(CC2)C1 2289697497 HXJMXYPZYUXFNN-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C[C@@H]1CCC12CCC2 2289855679 UQJZTHMWMJMTQN-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE C#CC[C@H](C[C@H](CCC1CC(C)C1)NCCC)C1CC1 2290381134 IMMVPBZFRBPGDT-HWMSQKFYSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@H](C)C1CC1 2290574041 TZFHJBLCESKWLM-HOCLYGCPSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C1CC(CC)C1 2290725416 VOZKIIVQRNTBNV-GPANFISMSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CCCC[C@@H]1C 2291306136 IEUMWPOIGCZWST-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@](CC)(CC1CC1)OCCC(=O)O 2291456431 NNPMDDOLWKIAAD-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCC(=O)O)[C@@H](C)CC 2291820015 VLWIWHGPXCRKML-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@@H]1CC)OCC(=O)O 2292184040 JPSWYFRKGCSKCA-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cc(C)cc(C)c1 2292792740 WVGYBWHPGKBUAE-GOSISDBHSA-N 277.452 4.680 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC1(F)F)OCCCN 2293179386 BFXHFEDSXFPFTF-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)c1csc(C)c1 2293260210 LMTLNLWXOLZEFH-QGZVFWFLSA-N 297.508 4.998 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1cccc(Cl)c1 2293574345 BWGKBKMPKNBMHQ-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1ccc(F)c(Cl)c1 2293880754 CBKZOXZXPYCTSE-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CCCC#CC[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2295163659 HYRNHMCOVQHRFO-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE C#Cc1ccc2c(ccn2CC[C@@H]2CCCC23CC3)c1 2295204567 HABRFPZOOSZQLJ-KRWDZBQOSA-N 263.384 4.593 30 10 CJEE CCCCCCCCC[C@H](C)N1CCCC[C@H]1CNC 2295519464 HBMSELVNNYLBCT-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCN(Cc1ccc(Cl)c(Cl)c1C)C(C)C 2301023566 MKGRZSLXYPEUNG-UHFFFAOYSA-N 272.219 4.698 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2308125053 AWIUIROWWMZIOH-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@H]1C(F)(F)F 2310525935 ULELCRLNZAJQJI-JHJVBQTASA-N 265.363 4.653 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(F)c(C)c1Cl 2316589695 KDWGXPBWODQCKB-AWEZNQCLSA-N 269.791 4.924 30 10 CJEE C=CCC(CC=C)[S@](=N)(=O)C[C@H](CC)CCCC 2316754055 FDPRFPPMSFTSLR-RDTXWAMCSA-N 271.470 4.770 30 10 CJEE C=CCC[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NCCC 2320255764 OSTQTKFFPNSWJD-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(CCC)s1 2321098047 HBVQAPAKFCYQOW-CZUORRHYSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(CCC)CCC1)NC 2321104942 KIQANKZNXLNSCQ-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)ccc1F 2321146112 WCZRMHGEMNDROS-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@H]1CCCC(F)(F)C1 2321226622 XXYCYNMCRPIVQS-RDBSUJKOSA-N 260.368 4.555 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2327367856 MCHKFAMQOJYTCB-QMTHXVAHSA-N 288.193 4.749 30 10 CJEE CCC(=NOCc1ccccc1)c1ccc(OC(C)C)cc1 2330269750 MGRWUVMVQQQNNC-UHFFFAOYSA-N 297.398 4.805 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332228878 UCWRGIKLXHXAIK-ADHGMGHFSA-N 263.469 4.891 30 10 CJEE C=CC[C@@H](C)Sc1cccc(C)c1CN[C@@H](C)CC 2335229614 OTLDKOGNDMQBIX-LSDHHAIUSA-N 277.477 4.940 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1C[C@H]2CCCC[C@]2(C)C1 2337062410 NJUFPAFZHCKJHO-YYWYGQEZSA-N 261.453 4.680 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 2338731534 BEQYMTYKJNLHBA-CHWSQXEVSA-N 274.326 4.693 30 10 CJEE C=CCCCCCNCc1cc(F)ccc1C1CC1 2341554567 KDNZTGXNHJWVMQ-UHFFFAOYSA-N 261.384 4.539 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1cc2cc(Cl)ccc2o1 2341897087 OMXQJCNSEYXUCD-CJNGLKHVSA-N 275.779 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(CCF)CC1)NCCC 2344342124 HIZFCRWVSNLRIX-CVEARBPZSA-N 269.448 4.877 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(CCCC)cc1 2344356342 LTTBPJBKELOQDN-MAUKXSAKSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)c(F)c1F 2344372069 PDWQPSOQRPOVLA-CQSZACIVSA-N 287.781 4.871 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(CSC)c1 2344379832 PKWNDYQACNGSDN-RHSMWYFYSA-N 277.477 4.803 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)CCC[C@@H]2C[C@@H]21 2354198549 XTFUYFPJCBXJLW-SOLBZPMBSA-N 280.452 4.637 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C[C@@H]2CC[C@H]1O2 2358322213 MKNVZZMQLPALHM-XWTMOSNGSA-N 279.468 4.578 30 10 CJEE Cc1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14458322 YMNXTDGKDQRFEI-YQVWRLOYSA-N 286.378 4.693 30 10 CJEE N#C[C@H](Nc1ccccc1F)c1cccc(C(F)(F)F)c1 37938947 LMCNWMXWULHUOT-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE N#Cc1cc(Cl)ncc1-c1ccc(Cl)cc1Cl 39140255 BQBWQEDAQOJNRC-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CCc1ccc(C[C@@H](C#N)c2cccc(Cl)c2)cc1 41391011 XDFIBOMXOUBINP-INIZCTEOSA-N 269.775 4.752 30 10 CJEE C=CCOc1ccc(/C=C/c2nc3ccccc3o2)cc1 57457365 SJJGQUGUCRSLRO-FMIVXFBMSA-N 277.323 4.563 30 10 CJEE CCCCCCCCOc1ccc(CNCC)cc1 59128502 MZCLWRKZGMYXDA-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OCC)cc1 59276939 HPWPRHGKQAPJFN-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCCOc1ccc([C@H](C)O)cc1 59292833 JAHYXZNAIUIGQP-HNNXBMFYSA-N 264.409 4.869 30 10 CJEE Clc1cc(/N=C/c2ccccc2)ccc1Br 59513988 HHPXWHLIOHOMIS-CXUHLZMHSA-N 294.579 4.853 30 10 CJEE Cc1ccc2cccc(Oc3ccc(C#N)c(Cl)c3)c2n1 61855475 VYWZGKXVNKMGNK-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE C=CC[C@H](Sc1nc(C)cc(C)n1)c1ccccc1 72262812 YRARXJCTVWZQOP-HNNXBMFYSA-N 270.401 4.503 30 10 CJEE CCC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)CC1 86922679 PLKQTCNVHZICSR-HOCLYGCPSA-N 256.393 4.719 30 10 CJEE Cc1cc(C)c(C[C@]2(C#N)CCC[C@@H](C)C2)c(C)c1 87930426 JCFMEBDEDMCULG-ACJLOTCBSA-N 255.405 4.874 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)CC1(CS)CCCC1 94579686 IBZNTYIDCKFJHX-ZDUSSCGKSA-N 297.895 4.823 30 10 CJEE CCCCCCCCCCCCOC(=O)[C@H](N)CC(C)C 97972953 YWJTTXZNSPZHOC-QGZVFWFLSA-N 299.499 4.824 30 10 CJEE CCCCCCCNCc1ccc(OCC(C)C)cc1 100027297 IWNKFXDASWAOSE-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCCCCCCCNC(=O)N1CCCc2ccccc21 100769820 SHUVMIXNHGLAQL-UHFFFAOYSA-N 288.435 4.509 30 10 CJEE CCCCCCCCCn1c(CO)nc2cc(C)ccc21 105501995 QMKJSGKUZVCHRS-UHFFFAOYSA-N 288.435 4.588 30 10 CJEE CCCCCCCCCN[C@H]1CCc2ccccc2C1 105839689 HCJSBMRCKUFXGD-IBGZPJMESA-N 273.464 4.884 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1Cl 110250838 NWDCZIWXPZZBBA-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCC[C@](C)(Nc1cccc(F)c1)C(=O)OC 110320486 ARRJHJDPHQNVHV-KRWDZBQOSA-N 295.398 4.530 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@H](CCC)CCC1=O 110325778 WUFLMIUQCDJHBE-CABCVRRESA-N 266.425 4.702 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OCC)c1 110462763 ROPMOOILMPEAQY-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1C1CCNCC1 117176896 BLNKQCLBPMVTRG-IBGZPJMESA-N 294.527 4.591 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@](C)(CC)N(C)C 118153001 KYAXRHLBQZXEHD-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CCCCCCCCO[C@@H](C)c1ccc(C(=O)OC)o1 118230748 KKMBSNPJJYKGSU-ZDUSSCGKSA-N 282.380 4.504 30 10 CJEE CCCCCCC[C@@H](NCC)c1c(F)cccc1F 118713176 DETFUHLCWFVOMK-OAHLLOKOSA-N 269.379 4.976 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCc2ccccc21)NN 121992769 ISCLMGJZWLBKIE-MSOLQXFVSA-N 288.479 4.689 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 122857767 JTNCXJXHFAUKMO-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCCCCCCCCCCC[C@@H](CC1CC1)NN 129921130 YZHIPFIWRGRYLT-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CC#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 133188269 DTFNUNJMUGHHAO-KURKYZTESA-N 277.496 4.724 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1csc2ccccc12 158965760 ZMDKAWAYDGZYQY-GOSISDBHSA-N 287.472 4.882 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCCS1 166495127 UECDIMKVSBMVMO-OAHLLOKOSA-N 257.487 4.742 30 10 CJEE O=C(c1ccccc1)[C@H]1CCCC/C1=N\Cc1ccccc1 201128496 OSZLFPYOGNOYNM-LDSGZGKSSA-N 291.394 4.701 30 10 CJEE CCCCCCC[C@H](C)NN1[C@@H](C)CCC[C@@H]1C 213923611 QFIOKALYJASSAX-JYJNAYRXSA-N 254.462 4.503 30 10 CJEE CCCCCCCNCCc1ccc(Cl)s1 226346708 COQSVCUGUYCAET-UHFFFAOYSA-N 259.846 4.504 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](NC)c2ccccc2O1 229240168 SAWUIWOKJVXOFE-WMZOPIPTSA-N 275.436 4.849 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCc2cccnc21 229818359 OSMNTFYQMILOLY-MSOLQXFVSA-N 288.479 4.840 30 10 CJEE CCCCCCCC[C@H](O)c1sc(C)nc1C 232926235 ITEMCBAIMKYWAQ-ZDUSSCGKSA-N 255.427 4.544 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1SC 232949733 QBWQXBXENDOUPT-KKUMJFAQSA-N 257.487 4.609 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@@H]1CNC(C)(C)C 232961823 UBRGEOXMETXXIT-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@H](Cc1cccc(C)c1)NCC 233603119 DTXYZSOHMSYBDG-GOSISDBHSA-N 259.437 4.652 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 249909357 YFNVWHJDYMZBFT-LZLYRXPVSA-N 290.495 4.996 30 10 CJEE ON=Cc1ccc(Oc2ccccc2-c2ccccc2)cc1 250535499 KPDMBNUXWNLUQR-UHFFFAOYSA-N 289.334 4.954 30 10 CJEE CCSc1cccc(N2C[C@H](C)C[C@@H](C)[C@H]2C)c1C#N 253100268 PXPBEIUPFDFFBR-MGPQQGTHSA-N 288.460 4.541 30 10 CJEE Cc1sc(NN=Cc2ccccc2)nc1-c1ccccc1 254441373 NVDLXIYZBLKIIE-UHFFFAOYSA-N 293.395 4.565 30 10 CJEE CC(C)(C#N)Cc1cc2ccc(Br)cc2s1 260559678 ZBDNLLUDTIWFMU-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE Cc1cc(C(C)(C)CC#N)ccc1OCc1ccccc1 260692334 XPHSFAKLUAAPQW-UHFFFAOYSA-N 279.383 4.765 30 10 CJEE CC(C)(C#N)CCCCOCC1CCCCCC1 302490226 ZVCAFIPQBIQCBF-UHFFFAOYSA-N 251.414 4.693 30 10 CJEE CCc1cc(N[C@@H](CC#N)c2ccccc2)ccc1C 312606720 PQKICLJWUWTNHC-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCCCO1 315372394 CQWCPDVELZQCGA-INIZCTEOSA-N 270.413 4.541 30 10 CJEE CCCNC[C@@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 317204337 QLXHTFQMXBTIIW-FUHWJXTLSA-N 263.469 4.622 30 10 CJEE C=CCC[C@H](CO)NCCCCCCCCCCCC 320716458 HVVXJYLIOYWOPY-GOSISDBHSA-N 283.500 4.824 30 10 CJEE CCCCCCCCCN[C@H](C1CCC1)C1CC1 324799152 OQWWZWGXQNVZKW-QGZVFWFLSA-N 251.458 4.905 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H](O)CC2CCCC2)CC1 380338030 XVWHZIDNOSMAQM-LXPRWKDFSA-N 277.452 4.674 30 10 CJEE C=CC[C@H](CCCc1ccccc1)CNC(C)(C)C 387515991 ZEVGRSUXJZKNJV-QGZVFWFLSA-N 259.437 4.590 30 10 CJEE CC[C@@](C#N)(Nc1ccccc1Cl)C1CCCC1 387598961 VKVOHUGXLGNJKT-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CCCCCCCCCCN1CC[C@H](N)CC(C)(C)C1 395952356 YZKKSCNFCAWGAH-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CC(C)c1ccc(NC[C@H](C#N)C2CCCC2)cc1 397294807 NOCNDQVXXNDPTB-INIZCTEOSA-N 256.393 4.552 30 10 CJEE CCCCCCCCCC[C@H]1[C@H](C)OC[C@@H]1NCC 405828941 RZSBMHKBZOSYFJ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE Cc1cc(C(F)(F)F)c(C(F)F)cc1OC(F)F 575664649 KLJWVWPMFLBFTO-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(C)cc1C 686695299 JGBYABCTULPYFN-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1CC[C@H]2CCCC[C@H]2C1 686708428 DSSRFPWIFSYIDU-XDNAFOTISA-N 261.453 4.504 30 10 CJEE N#C[C@]1(CCCC2CCC2)CCc2ccccc2C1 688866856 BQOFVUQXDRZFIQ-GOSISDBHSA-N 253.389 4.656 30 10 CJEE N#C[C@H]1CCCCC[C@H]1NCc1ccc(Cl)c(Cl)c1 689253962 CTKDFTJECKLGSV-IUODEOHRSA-N 297.229 4.555 30 10 CJEE CCCCCCC[C@H](NCC)[C@]12CCCC[C@H]1C2 693186637 VLIJJQIQRJPZFU-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE C=C(COC(C)C)[C@H](NCC)c1cc2cscc2s1 694402121 XRVJKABTRFBWOS-HNNXBMFYSA-N 295.473 4.595 30 10 CJEE CCCNCc1ccc(S[C@H](C)CC(C)(C)C#N)cc1 695781617 YYKMCEPHIRDLGW-CQSZACIVSA-N 290.476 4.607 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](N)C[C@@H](C)CC 696066900 WBAHIZSBHRFEJU-ULQDDVLXSA-N 271.489 4.642 30 10 CJEE C=C([C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C)C(F)(F)F 699013248 QPDBMRMPOWWNEP-JKOKRWQUSA-N 277.374 4.545 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@@H](N2)[C@@H]1C 709289670 PZFWSFZLIFPMBY-ZJIFWQFVSA-N 255.421 4.606 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(F)F)cc1N 709368780 AQUQLWUMNOLZAF-SMDDNHRTSA-N 280.362 4.753 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC(C)(C)CO1 711295278 PWGGSAYZYJBGPN-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1(OC)CCC(C)(C)CC1 715755171 XHCKZBAHBYBCID-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE C=CC[C@H](C)Sc1cccc([C@@H](C)NCCC)c1 715755206 IDZOSWJXYXDFON-UONOGXRCSA-N 263.450 4.804 30 10 CJEE C=CCCC(C)(C)n1c(C)cc2c1CC(C)(C)C[C@@H]2O 717958727 MXSXHFRAHCSDFG-INIZCTEOSA-N 275.436 4.504 30 10 CJEE CCCCCCC[C@H](N)C[C@H](C)COCc1ccccc1 719194991 ILNOKYLHPVVNNN-HKUYNNGSSA-N 291.479 4.917 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCC[C@H](CC)C2)CC1 724587798 BMZWQDZLLSNDEU-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE 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C=CCC[C@H](CC)N[C@H](C(=C)C)c1ccc(F)c(F)c1 1205434827 QZXZJAKYSXFTBG-WMLDXEAASA-N 279.374 4.916 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1206644186 FQYDOWHNWKHYGT-LJISPDSOSA-N 271.395 4.535 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCCc2cc(C(C)C)ccc21 1353204749 XDNNWCLOSVZMGH-UHFFFAOYSA-N 285.431 4.692 30 10 CJEE C=CCC1(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CCCCC1 1358316426 IPOHEYMMCAILEZ-HOTGVXAUSA-N 277.452 4.550 30 10 CJEE C=CCC(C)(C)C(=O)OCc1ccc([C@@H](C)CC)cc1 1435688124 XJZOJGKMPOHGAM-AWEZNQCLSA-N 274.404 4.846 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1447266019 SQSMJQFSEZUEMR-IBGZPJMESA-N 299.458 4.906 30 10 CJEE C=CCCCN(Cc1cccs1)C1Cc2ccccc2C1 1460095747 UFVKGOLSSRVUME-UHFFFAOYSA-N 297.467 4.684 30 10 CJEE C=CC[C@H](C)NCc1ccc(Oc2ccc(OC)cc2)cc1 1461211896 PONMINRCZQUSGI-HNNXBMFYSA-N 297.398 4.542 30 10 CJEE C=CCC[C@H](CC)Nc1cccc(C(C)(F)F)c1 1462100565 AXXCUKHKDNAQMX-ZDUSSCGKSA-N 253.336 4.955 30 10 CJEE C=CCN(C[C@H](C)C1CCCCC1)c1ccccc1 1462107632 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288.353 4.917 30 10 CJEE C=CC[C@](C)(NC[C@H]1CCCC[C@@H]1C(F)(F)F)C(F)F 2182189014 ABAUQVWWSKCKMU-MDZLAQPJSA-N 299.327 4.545 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H]1CCCC12CCC2 2187468034 KEIDJNWDWIZCJU-IAGOWNOFSA-N 291.555 4.596 30 10 CJEE CC(C)(C)NC[C@@]1(CC#C[Si](C)(C)C)CCCC12CC2 2187479780 WCEDYIVWDGRTLR-SFHVURJKSA-N 291.555 4.596 30 10 CJEE C=CC1(CNC[C@H]2CCC[C@@H]2C(F)(F)F)CCCCC1 2189516187 ARACVVIXXZKNFT-KGLIPLIRSA-N 289.385 4.691 30 10 CJEE C=CC1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 2189518922 SQZQLQBFWCVQMF-KGLIPLIRSA-N 289.385 4.834 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCOC12CCCC2 2190309419 VBIHKAYEYVTFLK-SJORKVTESA-N 281.484 4.674 30 10 CJEE C#C[C@H](c1ccccc1)N(C)[C@H]1CCC[C@@H](CC)CC1 2195505195 GKRUIYDPGYLYSC-NZSAHSFTSA-N 269.432 4.652 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CCSc1ccc(C)cc1 2195727120 YAADYWKOAZCJSF-CALCHBBNSA-N 287.472 4.660 30 10 CJEE CC#CCCCC[C@]1(O)CCC(C)(C)c2ccccc21 2196174181 LFCRRPRAIBMCEW-IBGZPJMESA-N 270.416 4.529 30 10 CJEE 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C=C(C)CCCC[C@H](NCC)[C@H]1CC[C@@]2(C1)CC2(F)F 2287466744 IYZJSFFZKMZHHW-HRCADAONSA-N 285.422 4.927 30 10 CJEE C=CCn1c(C2CCCC2)nc([C@@H](CC)CCC)c1N 2287647580 YMGHXQSFRIGDQN-ZDUSSCGKSA-N 275.440 4.603 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1ccc(F)c(C#N)c1 2287933621 SLPRSIBHVSTZLD-CQSZACIVSA-N 276.399 4.962 30 10 CJEE CCc1ccc(C#N)c(NC[C@@]23CCCC[C@H]2CC3)c1 2289024817 ZZYMXFMQSSHUIM-WMZOPIPTSA-N 268.404 4.503 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2289884824 YJVHLVYTYWXJOU-FCGDIQPGSA-N 273.464 4.504 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CCCC12CC2 2289901858 UWUCOBLZSNHBJG-LJQANCHMSA-N 273.464 4.520 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)C2CC(C(C)(C)C)C2)CC1 2289946442 VYGCMZNSAPTGJF-YMAMQOFZSA-N 277.452 4.530 30 10 CJEE C=CCCCCCCCC[C@@](C)(CC1CC1)OCCN 2292788489 XEDAMONKQNLXOS-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)C1CCCCCC1 2293877875 BXNSNLVJHKOZPR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CC1=CC(=O)[C@H](Cc2c(C)c(C)c(C)c(C)c2C)CC1 2294733736 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C=CCCCCCC[C@@H](NCCC)C1[C@@H](C)[C@@H]1C 2312084599 SNHYATCEBBUMFU-HRCADAONSA-N 251.458 4.783 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(Cl)ccc1Cl 2313538967 FECYFTOVSMDAFS-UHFFFAOYSA-N 285.170 4.671 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1sc(C)c(C)c1C 2315429801 QAFVDQLHQQKCJC-LSDHHAIUSA-N 263.450 4.508 30 10 CJEE C=CC[C@@H]1CCCN1Cc1ccc(Cl)c(Cl)c1C 2316832127 GRUUSBZYZRIVQN-CYBMUJFWSA-N 284.230 4.842 30 10 CJEE CC(C)Oc1ccc(C=NNc2ccccc2)cc1Cl 2322922461 VYIQQUYSUNZEPC-UHFFFAOYSA-N 288.778 4.573 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@@H](C)CCC#N)c1Cl 2327860521 PNGLSBGNKMQGQH-ONGXEEELSA-N 285.218 4.645 30 10 CJEE CC#CCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2327871918 FNRXLHMPQPRGRC-AWEZNQCLSA-N 284.230 4.756 30 10 CJEE C=CC1(C[C@@H](C[C@@H]2CC[C@@H]3C[C@H]23)NCCC)CCC1 2329946140 LQUOHMNSYJMVJS-YLFCFFPRSA-N 261.453 4.537 30 10 CJEE C=CCN(CC=C)N=Nc1cc(Cl)ccc1Cl 2330199799 HAPMQCIVNCENAW-UHFFFAOYSA-N 270.163 4.666 30 10 CJEE CCCCCCC[C@@H](C)NC[C@]12CCC[C@H]1CSC2 2332982943 RLUQCVGIEZAQHW-IKGGRYGDSA-N 283.525 4.858 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)sc1CNC1CC1 2335108924 MZMNILHIHKRYMJ-UHFFFAOYSA-N 297.851 4.553 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC(F)(F)C1 2338742183 UDVDUYPQKCBMFL-CABCVRRESA-N 271.395 4.558 30 10 CJEE CC#CCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341123746 ZDGPMKXBJMRWOO-INIZCTEOSA-N 298.257 4.837 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@H]2CC[C@H]2C2CC2)CC1 2342201576 IOTDBXFQPZHNEP-XYPHTWIQSA-N 260.421 4.764 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CC[C@H]1C1CC1)NCC 2342285005 LAHIFFADPAJQQO-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=C([C@H](C[C@@H]1CC[C@@H]1C1CC1)NCCC)C(C)(C)C 2342350368 XNYHHYMXSHFLGX-BBWFWOEESA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCOC[C@](C)(CC)CN 2343160845 KWSQBISKMDPAKT-QGZVFWFLSA-N 271.489 4.909 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Cl)cc1OC 2344339959 NINPAONCVLVUED-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)ccc(F)c1F 2344347808 FLGMUOHIVZBMFX-GJZGRUSLSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)NCC 2344349151 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C#Cc1cccc(N[C@@H](C)c2ccc3ccccc3c2)c1 21513054 AJKJMNVBRDJTLV-HNNXBMFYSA-N 271.363 4.994 30 10 CJEE CCCCCC[C@H](C)Oc1c(C#N)cnc2ccccc12 36913446 IREQUPTVFQMZBY-AWEZNQCLSA-N 282.387 4.844 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(F)c(Cl)c1 50429712 XVDCFHHGEFZTOX-LLVKDONJSA-N 288.753 4.832 30 10 CJEE N#C[C@H]1CCCC[C@@H]1Nc1ccc(-c2ccccc2)cc1 54829090 DTBBYGYZRIEZBZ-MJGOQNOKSA-N 276.383 4.848 30 10 CJEE Cc1ccccc1C[C@@H](C#N)c1c(F)cccc1Cl 57741521 OKSNNKBDOMJBIY-ZDUSSCGKSA-N 273.738 4.637 30 10 CJEE CCCCCCC[C@H](C)Nc1cccnc1OCC 59446029 BOHCUSMBPKWCQG-AWEZNQCLSA-N 264.413 4.641 30 10 CJEE C=C(C)CN1C[C@@H](CC)Nc2cc(Cl)c(Cl)cc21 76930222 WPSIQTDDURYLCJ-SNVBAGLBSA-N 285.218 4.580 30 10 CJEE CCc1sc(-c2ccc(OC)c(Cl)c2)cc1C#N 77097476 MPHSZPPGEHWYKR-UHFFFAOYSA-N 277.776 4.511 30 10 CJEE CC[C@H]1CCC[C@](C#N)(NC2CCCCCC2)CC1 86914925 YURRANBFEIITJO-RDJZCZTQSA-N 262.441 4.551 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 88515114 FLCAXECEDUETHN-RISCZKNCSA-N 296.336 4.958 30 10 CJEE SCC1(COC2CCCCC2)CCCCCC1 94583570 XSGHSLBESUKCLW-UHFFFAOYSA-N 256.455 4.606 30 10 CJEE CCCC(CS)(CCC)Cn1cnc2ccccc21 94586171 PRHYORLZHUKDES-UHFFFAOYSA-N 276.449 4.553 30 10 CJEE CC(C)CCN(C[C@]1(C=O)CCC[C@H](C)C1)C1CCCC1 94851963 DHDGKEXPGHOOMD-HKUYNNGSSA-N 293.495 4.673 30 10 CJEE Clc1cc(Cl)c(/N=C2/CCCCCN2)c(Cl)c1 95082100 FVXBKXCQRSIYQS-UHFFFAOYSA-N 291.609 4.840 30 10 CJEE Cc1cccc(SC2(C#N)CC(C(C)(C)C)C2)c1 97394326 LDXXFRBYJJUTJC-UHFFFAOYSA-N 259.418 4.806 30 10 CJEE CCCCCCCCNC(=O)c1ccc(C(C)C)cc1 108442261 XLNAXIUJWLBAEB-UHFFFAOYSA-N 275.436 4.900 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1ccccn1 117692525 VKNZLEIRDUCSQW-GOSISDBHSA-N 277.452 4.906 30 10 CJEE CCCCCCCN1CCCC[C@@H]1[C@@H]1CCCCC1=O 125132502 FRFTZCIHILLKBZ-DLBZAZTESA-N 279.468 4.571 30 10 CJEE Cc1ccsc1[C@@H](C)Nc1cc(C#N)ccc1Cl 125672330 FOFMOCDEURCFQI-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1n1c(S)nc2c(C#N)cccc21 126110582 OEKJORBIYCCATL-KGLIPLIRSA-N 299.443 4.584 30 10 CJEE CCCCCCCOCC1(CS)CCCCC1 127154477 MJHKJNCVXGBCMB-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE CCCCCCCCNCc1cnc2ccccc2c1 138123198 BRUPTYQHGYUEHO-UHFFFAOYSA-N 270.420 4.685 30 10 CJEE COc1ccc(C#N)c(Oc2ccc(Cl)c(Cl)c2)c1 150095769 CPIYVVXFMXEVGS-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(F)c(OC)c1 157831506 VZFWSBCXRMRWCB-MRXNPFEDSA-N 281.415 4.975 30 10 CJEE C#Cc1cccc(N[C@H]2CC[C@@H](C)c3ccccc32)c1 163658468 LCRPZZFKYXRHDN-KUHUBIRLSA-N 261.368 4.718 30 10 CJEE C[C@@H]1CC[C@@H](Nc2cccc(F)c2C#N)c2ccccc21 163709635 VWZOIRNWZMSHMX-KZULUSFZSA-N 280.346 4.748 30 10 CJEE C=C(C)CCOc1ccc2ccccc2c1CNC(C)C 164369644 OYSZBAJLEBMBAU-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ncc(C)cn1 164862361 YYROADDSVVCPHZ-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCC[C@@H](CCC)NCCCCC(C)(C)C#N 226026025 LZDONFDOIWPFIG-OAHLLOKOSA-N 252.446 4.655 30 10 CJEE CCCCCCCCC[C@H](NC)c1cncc(OCC)c1 229109282 NDNHLEYHXISWRY-SFHVURJKSA-N 292.467 4.882 30 10 CJEE C=C(CNc1cc(F)ccc1Cl)c1ccccc1 231818268 ZYUQSILYYDMGIL-UHFFFAOYSA-N 261.727 4.604 30 10 CJEE CC(C)C[C@H](C)Nc1ccc(C#N)c2ccccc12 232633650 AKTILEHNBPDURD-ZDUSSCGKSA-N 252.361 4.558 30 10 CJEE CCCCCCCCCCCCn1cnc(C(=O)O)c1 232920595 QGXMJGIEBFTGLN-UHFFFAOYSA-N 280.412 4.502 30 10 CJEE C[C@@H]1CCCC[C@H]1Oc1ccc(C#N)c2ccccc12 235247183 KIJFDRITFZVRPR-CXAGYDPISA-N 265.356 4.669 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@H](C)c1cc(Cl)cc(Cl)c1 251700989 QOYIPYQBWHNSPN-AQUOVQTQSA-N 259.176 4.664 30 10 CJEE O=C1CCCCC1=NNc1ccc(C2CCCCC2)cc1 254871470 WVJGWRKHMBUKCJ-UHFFFAOYSA-N 284.403 4.645 30 10 CJEE CCCc1ccc(-c2nc(C)c(CS)s2)cc1 259157731 DVVQJJFRRUAKAV-UHFFFAOYSA-N 263.431 4.501 30 10 CJEE CC(F)(F)c1ccc(F)c(C2(C#N)CCCCC2)c1 260313352 QNSSUSUKQPVCGL-UHFFFAOYSA-N 267.294 4.663 30 10 CJEE CCCCCCC[C@@H](NN)[C@H](CCC)CC(C)C 308078277 YGSIOTCSAMWCRK-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CCCC(F)(F)C1 311160478 KIUMFCPGHDZJFV-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE C=C(C(=O)[C@H](c1ccccc1)[C@H](C)CC)C(F)(F)F 311426745 GCDOIIYTERNMFE-MFKMUULPSA-N 270.294 4.504 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(F)cc(OC)c1 312315403 BLSYUEOAOFTGFS-QGZVFWFLSA-N 281.415 4.845 30 10 CJEE CCCC[C@H](CC)[C@H](C#Cc1ccccc1)NCCC 315029965 YDJOXYRSBLGGJT-OALUTQOASA-N 271.448 4.623 30 10 CJEE CCC1CCC([C@]2(C=O)CCC[C@@H](CC)C2)CC1 316760997 CPUUSVBAFMCYBM-MNAZLIDISA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCSC(C)(C)C)C1 317393931 YTABPOLNKDUYGE-UKRRQHHQSA-N 256.455 4.694 30 10 CJEE C=CCC(C)(C)CNc1cc(Cl)c(Cl)cc1N 379878006 AAMACLGQORUVQM-UHFFFAOYSA-N 273.207 4.590 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(OC)c(F)c1 380367526 KWUKRIKUTRMKDZ-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE CC[C@@H](/N=C1/NC2(CCC(C)CC2)CS1)C1CCCC1 382862380 ILWBEMQKWFIURK-GNHJJJEISA-N 294.508 4.597 30 10 CJEE Cc1ccccc1[C@H](C)/N=C1/N[C@H](CC(C)(C)C)CS1 393537303 AZOODWJZNGNEMO-UONOGXRCSA-N 290.476 4.553 30 10 CJEE CCCCCCCCCCC(=O)[C@H](C(C)C)[C@H](C)N 399467973 UOIDGYDEZQGRQG-DOTOQJQBSA-N 269.473 4.706 30 10 CJEE C=C(C)CON[C@H](c1cccs1)c1ccc(Cl)s1 400951708 XVVHEWJTAZMBHV-CYBMUJFWSA-N 299.848 4.650 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1cccc(Cl)c1 401730443 CMEXJZLAXFIWHC-UHOFOFEASA-N 276.811 4.860 30 10 CJEE C[C@@](C#N)(C[C@H]1CSc2ccccc21)c1ccccc1 405563441 AXDFVBUGORIMPK-KSSFIOAISA-N 279.408 4.747 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 451326469 DHRPXOFIGFRBAM-RYRKJORJSA-N 297.442 4.913 30 10 CJEE C=CCCc1ccccc1NC(=O)N(C)[C@@H](C)c1ccco1 505006706 VXKVCVDMSGQQQF-AWEZNQCLSA-N 298.386 4.623 30 10 CJEE C=CCC(C)(C)c1noc(/C(C)=C\c2ccc(F)cc2)n1 560025562 CIDXSPDSBCXRBQ-QXMHVHEDSA-N 286.350 4.623 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 581164112 UGTBKCSUAGDFEX-AWEZNQCLSA-N 294.398 4.598 30 10 CJEE C=C(Br)CNc1cc(Cl)c(C)c(Cl)c1 606298326 RFBSYMKVUOIATP-UHFFFAOYSA-N 295.007 4.622 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(COC(C)(C)C)cc1 681001000 LOSPCHJDRKLLJA-CQSZACIVSA-N 289.419 4.543 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)O[C@H]1C 686464351 NRLJNLLKQQIDPU-NXOAAHMSSA-N 269.473 4.529 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 686488511 ASKVFCOUDXDKIJ-RBSFLKMASA-N 254.414 4.510 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12CCC[C@@H]1OCC2 687390238 SUGJXYSYRKGAOX-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H](C)c2ccccn2)CC1 692922715 KSVKAEQCMFFIRP-HJOIGYKYSA-N 273.420 4.607 30 10 CJEE CCC[C@@H](CS)CN(C)C1CCC(C2CCC2)CC1 695820453 YGICRMGRUIOXFN-ODIFPOPNSA-N 283.525 4.623 30 10 CJEE C=CC[C@H](N)[C@H](O)CCCCCCCCCCCC 696064091 FHNQHTQMXHSENJ-DLBZAZTESA-N 269.473 4.562 30 10 CJEE CCCCCCCCCCCCNCCCN1CCC1 697393803 LAZIIXSFCRKLGX-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE SC[C@@H](CN(C1CCCCC1)C1CCCCC1)C1CC1 701872815 LMQODZMCAVWOBQ-MRXNPFEDSA-N 295.536 4.910 30 10 CJEE CCCCCCC[C@H](NC)c1cccnc1C(F)(F)F 704280884 GYKHBVFGXHBZDP-ZDUSSCGKSA-N 288.357 4.721 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)[C@@]12CCCC[C@@H]1C2 709190762 SPQOSWIKWVCZQN-GHJWDPDVSA-N 274.795 4.592 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)[C@@H]1CCCCO1 711876959 YNELRPQRLCRZHR-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](O)c1ncc(CC)[nH]1 719119335 VDQRBGRQCQNNET-HNNXBMFYSA-N 266.429 4.536 30 10 CJEE C=C1CCC(CN[C@H]2CCCCc3ccccc32)CC1 724450901 CYUVISYMPKOWFU-IBGZPJMESA-N 269.432 4.790 30 10 CJEE C=C1CCC(COc2cccc(Cl)c2CNCC)CC1 724556916 QFBMNFJCWFPZDC-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 1127429954 KCHINHACTUBSRK-QXAKKESOSA-N 299.458 4.821 30 10 CJEE C=CCC1(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CCCC1 1131251382 HGZYWSNPLAGZGI-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C=C(C)CN[C@@H](c1ccc(CCCC)cc1)C(C)C 1168283786 DAHQFBFAGKCBAY-GOSISDBHSA-N 259.437 4.892 30 10 CJEE C=CCCCCN(C)c1ccc(C)cc1Br 1170633096 SJYDJIXSZFHSDI-UHFFFAOYSA-N 282.225 4.550 30 10 CJEE C#CCCCCCCN[C@]1(C)C[C@H](C)CC(C)(C)C1 1183661246 FTZDAURIMJEUFD-SJLPKXTDSA-N 263.469 4.765 30 10 CJEE C=CCOc1cccc(CNc2cccc(SCC)c2)c1 1201273387 PWHRRZDKLDQYNY-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE C=CCCc1ccccc1NCc1cccc(F)c1F 1202126850 OOIQDZWEMWQYAL-UHFFFAOYSA-N 273.326 4.696 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc(Cl)c(C)c2)CC1 1219295628 ZBKXWFWIVKCRBB-UHFFFAOYSA-N 292.810 4.516 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1269349740 GRBRHQUMFSIAJH-CABCVRRESA-N 279.468 4.700 30 10 CJEE C=CC(C)(C)CCCNc1nc(C(C)(C)C)ccc1C#N 1307199868 DAXSJYYQBAOXKO-UHFFFAOYSA-N 285.435 4.655 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 1308186635 RJRSDECWAFOTSI-GUDVDZBRSA-N 299.458 4.700 30 10 CJEE C=CCC1(NC/C=C\c2ccc(F)c(F)c2)CCCCC1 1308404422 WOVJCTKSQNGEDK-SREVYHEPSA-N 291.385 4.847 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 1308461308 ATPDQBCOYPGVTK-IAQYHMDHSA-N 284.230 4.828 30 10 CJEE C=CCCC[C@H](NCc1ccccc1NC)c1ccccc1 1308504544 YJEXUVCNKGLSIZ-FQEVSTJZSA-N 294.442 4.916 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1SC(F)F 1350029510 FWKCWHJGBRRCTA-JTQLQIEISA-N 285.359 4.542 30 10 CJEE C=CC(C)(C)CCNC(=O)CCCCCc1cccs1 1438000596 NPYFQXZZCCUTNJ-UHFFFAOYSA-N 293.476 4.570 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc(CC(C)C)c1 1459694313 HMJJCKYQMHJPPS-QFBILLFUSA-N 299.458 4.556 30 10 CJEE C=C(CC)CN(Cc1c(C)cccc1C)CC(C)C 1460279700 TYGPBTHTOFPVHY-UHFFFAOYSA-N 259.437 4.728 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCc1ccc(F)cc1 1462492507 RVMQAYFYRYPSCA-OAHLLOKOSA-N 277.427 4.729 30 10 CJEE C#CCOc1ccc(CNc2cccc(C3CCC3)c2)cc1 1474161831 HESWKTLPZNGFLK-UHFFFAOYSA-N 291.394 4.578 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 1516881821 JNYVZUUXNJVSGQ-INIZCTEOSA-N 299.458 4.605 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(C(C)(C)C)cc1C 1523554115 QAXLRGCCYDEUEL-UHFFFAOYSA-N 274.404 4.800 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC=CCCC1 1523896427 SPTOFMNMALBOLA-KRWDZBQOSA-N 283.415 4.880 30 10 CJEE C=CCN(C(=O)/C(C)=C\c1ccc(Cl)cc1)C(C)(C)C 1532426987 CMUQZJGUZNBNGK-SEYXRHQNSA-N 291.822 4.556 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 1534158432 IWCFKKMDWLXCTE-ROUUACIJSA-N 299.458 4.679 30 10 CJEE C=C(C)c1cccc(NC(=O)CCCc2cccs2)c1 1539550843 YVMXWHFRNZDGNM-UHFFFAOYSA-N 285.412 4.743 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)c1ccc(F)cc1)c1ccccc1 1586194655 MSYPWMYPTPCHOT-KSSFIOAISA-N 298.357 4.790 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1OC1CCCC1 1596481696 ISFXGSBSNPUPRK-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=C[C@H](C)NCc1ccc(N(CC)c2ccccc2)cc1 1620858147 LEHHKDFEJRMBAU-INIZCTEOSA-N 280.415 4.509 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2cnn(C(C)C)c21 1621226823 DULVNGWGZORPBZ-DLBZAZTESA-N 289.467 4.566 30 10 CJEE C=CCCC[C@@H](NC(=O)C=C1CCCC1)c1ccccc1 1625197693 XIKITGFNCXZJNO-GOSISDBHSA-N 283.415 4.701 30 10 CJEE C=CCCCCCCNC(=O)NC[C@H]1CCCC(C)(C)C1 1635114259 RJEVSJNWTOQHCH-INIZCTEOSA-N 294.483 4.639 30 10 CJEE C#Cc1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(Cl)c1 1653185669 ZYWITBPHAROUIY-OUCADQQQSA-N 261.796 4.558 30 10 CJEE C#CCCCCCCN[C@@H](c1ccccc1C)C1CC1 1653896587 LHEXJRZCKXIGAI-LJQANCHMSA-N 269.432 4.619 30 10 CJEE C=CC[C@@H]1CCN1CCCCc1ccc(Cl)c(Cl)c1 1655022817 HOTCTWILWRRJNZ-CQSZACIVSA-N 298.257 4.967 30 10 CJEE C=CCCCCCCNC/C=C/c1cccc(F)c1 1656229037 GMEOLUQBRNOCGO-PKNBQFBNSA-N 261.384 4.565 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)C1CCC(F)(F)CC1 1660144473 KPIBGZVJMZLKMU-GXTWGEPZSA-N 259.384 4.535 30 10 CJEE C=C(CC)CNC(=O)Nc1c(CC)ccc(Cl)c1CC 1672790110 QVGYHOLQGOHIQW-UHFFFAOYSA-N 294.826 4.553 30 10 CJEE C=CCC1(NC(=O)NCC2(CCC)CCC2)CCCCC1 1685652037 ZQYDTQYTGBEEHY-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=CC(C)(C)CNC(=O)N(CCCC)[C@@H](C)CCCC 1686493689 WWQMJIBPDHOZPE-HNNXBMFYSA-N 282.472 4.589 30 10 CJEE CCCCCCC[C@@H](O)C1CC(c2ccccc2)C1 1875785769 YGFKUKWWMZQKMK-DAWZGUTISA-N 260.421 4.902 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC2(C(C)(C)C)CCC2)C1 1876743809 SSQBIZRZGCNUEI-GDBMZVCRSA-N 263.425 4.692 30 10 CJEE CC#CCCCC[C@]1(CNCCC)CCCC[C@H]1C 1885235495 HFAWOHFERWNUTP-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE CC#CCCCCN[C@H]1CCCCCCCC1(F)F 1885235580 HQQXGAFYBNGSTI-HNNXBMFYSA-N 271.395 4.518 30 10 CJEE CCCCCCCCN(CCCC)C1CCOCC1 1888878553 VNZGVLGFQBCVBD-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCC(CC=C)SCc1cccnc1Br 1899413737 AXBDFKTZMSZQLZ-UHFFFAOYSA-N 298.249 4.598 30 10 CJEE C=C(C)C[C@H](NC)c1cc(Cl)c(C(F)F)s1 1903506237 CSGKHSFLKUJCGG-QMMMGPOBSA-N 265.756 4.566 30 10 CJEE CC=C(CC)C(=O)c1c(Cl)cccc1Br 1911590167 GPFOURAFJKEZIE-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCC[C@](C)(N)CC1(COC)CCCC1 1919514197 JLTQUKOHMPDEQN-INIZCTEOSA-N 269.473 4.661 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](O)[C@@]1(C#N)CCCC12CCC2 1921303034 AEQRWHPSIMHWQH-WBVHZDCISA-N 289.806 4.546 30 10 CJEE C=C(C)CC[C@H](C)Nc1ncc(C(F)(F)F)cc1C 1922674203 HWJHNQHUCWFPBF-NSHDSACASA-N 272.314 4.566 30 10 CJEE C=C([C@@H](NCC)C(C)(C)c1ccc(F)cc1)[Si](C)(C)C 1922963713 VUWBDGLYEJCEAF-MRXNPFEDSA-N 293.502 4.515 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCCC1(C)C)[Si](C)(C)C 1922997408 WQLGNBDXUGEBBE-GJZGRUSLSA-N 267.533 4.615 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H](C)C2CCCC2)CC1 1924091778 BXPDRCJIYVJOPX-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE CC(C)CCCCN=C1N[C@@H](CC2CCCCC2)CS1 1926706584 WXXCOGNQNAQGQM-INIZCTEOSA-N 296.524 4.844 30 10 CJEE CC(=CB1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1F 1931739689 KECYEZYTLQDPBR-UHFFFAOYSA-N 296.578 4.514 30 10 CJEE CCCCCCC[C@H](NN)c1cc(Cl)sc1C 1948769004 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CCCCCCCCC[C@@H](C)N1CCC([C@H](C)N)CC1 2295533900 LUHPEFVODATWTA-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@](CC)(CN)C(C)C 2295587422 HMZUVHMAIFMMCH-QZTJIDSGSA-N 285.516 4.889 30 10 CJEE CCCCCCCCC[C@](C)(OC1(C)CCC1)C(=O)O 2295597702 YRGCFJOTZYXSIL-KRWDZBQOSA-N 284.440 4.930 30 10 CJEE C=CC[C@](C)(CO)CN[C@H](C)CCCCCCCCC 2295679085 MMBBKZIETIKMLE-MSOLQXFVSA-N 283.500 4.680 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]([C@H]32)[C@@H]41 2295681067 CQSPQTXKEYIEHT-QAGRFSDVSA-N 275.480 4.616 30 10 CJEE C=C([C@H](NCCC)c1ccc2scnc2c1)C(C)(C)C 2296131009 JPGVVYBHGBRREP-INIZCTEOSA-N 288.460 4.939 30 10 CJEE C=CC[C@@H](C)S[C@H](C)C(=O)c1ccc(Cl)cc1 2298947724 JKSGWIXOAMEALO-GHMZBOCLSA-N 268.809 4.609 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cscc1C(F)F 2304027650 JZQHDIXBPSYOET-AAEUAGOBSA-N 259.365 4.678 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(C(F)F)cs1 2304079710 XQDPHVDFKFFGJI-ZDUSSCGKSA-N 258.333 4.861 30 10 CJEE CCCCCCCCC[C@H]1C[C@@H]2CC[C@H]1C[C@@H]2N 2312998061 OGTIKANCUQXODE-QAETUUGQSA-N 251.458 4.891 30 10 CJEE O=C1C=CCC[C@@H]1CCCc1cc(Cl)cc(Cl)c1 2318609696 IMUFFUVFSATESZ-GFCCVEGCSA-N 283.198 4.851 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CC[C@@H]2C(C)(C)C)CC1 2320314862 LUTAMKZAILITKW-GWUWNPHMSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(F)c(C)c1Cl 2321135276 UEJPNDZPMDWTEV-CQSZACIVSA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC(C)(C)C1)NCC 2321140892 KUTVKVQFUVQWTD-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1[C@H]2CCCCC[C@H]21 2321237922 RCRUAODGHQBCRK-HMDCTGQHSA-N 250.426 4.556 30 10 CJEE Cc1cc(OCC2(CS)CC(C)(C)C2)ccc1Cl 2321722583 JPWHSNVUKAGNGW-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE CCCCCCCCCCC1(N)CC2(CSC2)C1 2328139002 IUTCHTXMSUGZNP-UHFFFAOYSA-N 269.498 4.742 30 10 CJEE CO[C@H](CSC[C@@H](CS)CC(C)C)C1CCCC1 2328539479 PXIYQYKKSHFLLF-UKRRQHHQSA-N 290.538 4.517 30 10 CJEE C=CC1(C[C@H](C[C@H]2CCC[C@@H]3C[C@H]23)NCC)CCC1 2330815148 ZXXFOBXSFJHSHG-WCXIOVBPSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)Sc1cc(C)ccc1CNCC(C)C 2335242754 SZHUCCBGNCBNJN-HNNXBMFYSA-N 277.477 4.797 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](O)C#CC2CCC2)CC1 2337432915 WHLRZPGZMBECFJ-KZNAEPCWSA-N 262.437 4.538 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1csc(C)c1C 2338250242 SQPZWCRKIYRXPC-MRXNPFEDSA-N 289.469 4.519 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CCCC[C@H]1C 2338737192 BFJCSAOFNNEUDZ-CRAIPNDOSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C1CC(C2CC2)C1 2338738253 KZSBFVVVQMYFAS-DAWZGUTISA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](N)[C@H](c1ccccc1)C(C)C 2338739938 AJUIRCSGUKOKJT-ZWKOTPCHSA-N 257.421 4.522 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)C)CCCC12CC2 2338742948 AJDQJAITPMHOJF-SFHVURJKSA-N 261.453 4.703 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1ccc(Cl)cc1F 2339960361 NXQOYOWDPDIIEK-NSHDSACASA-N 273.738 4.634 30 10 CJEE C=CCCCCCCCC=C1CC(N)(C(F)(F)F)C1 2340370810 YKWAEIMGVUJJPS-UHFFFAOYSA-N 275.358 4.883 30 10 CJEE CCCCCCCO[C@@H](C)CCCCN[C@@H](C)CC 2340378039 QCBIRGCBFXWXBE-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C#C[C@@H](c1ccc(Cl)c(Cl)c1C)N1CCCCCC1 2340456317 XXOBTRMTERAPJQ-HNNXBMFYSA-N 296.241 4.852 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(C2CCCC2)cc1 2341928320 GYCMCYRXXPXMMK-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CC1(C[C@H](C[C@H]2CC[C@H]2C2CC2)NCC)CCC1 2342270310 VLSWWOADQCGPDY-IKGGRYGDSA-N 261.453 4.537 30 10 CJEE C=CCC[C@@H](O)C[C@H](c1ccccc1)C1CCCC1 2342543844 CKBZHLNEPDYREZ-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC(C)=C(C)C2)C1 2343392365 UIAIWUMRXMBPGK-ZACQAIPSSA-N 261.409 4.612 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cccc(C2CCC2)c1 2343716659 POELYCOTGQXGFC-OAHLLOKOSA-N 257.421 4.789 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)cc(C)cc1F 2344346743 VNCLPLRSSVGCPH-DYVFJYSZSA-N 263.400 4.695 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)c(C)c1F 2344357628 RKGKHTCRKUKRMK-SUMWQHHRSA-N 263.400 4.695 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2354776899 MUJZNPSWFDWPQZ-XQQFMLRXSA-N 295.398 4.810 30 10 CJEE N[C@@H](C#CC1CCCCC1)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359890584 FATYKOWHURYJSU-VJANTYMQSA-N 273.464 4.504 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(C)c(F)c1 2360327519 OPHKPJMDGXOQSI-RHSMWYFYSA-N 295.467 4.873 30 10 CJEE CCCc1ccc(/N=C2\NC[C@H](c3ccccc3)S2)cc1 35295427 CDBLOCJVTIDFIC-QGZVFWFLSA-N 296.439 4.704 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](SC2CCCCC2)C1 37685609 HKYXSSANFUNEMM-GZBFAFLISA-N 251.439 4.771 30 10 CJEE Cc1ccc([C@@H](Nc2ccc(F)c(C#N)c2)C2CC2)cc1 51635958 VICSPXFJHHEGEF-GOSISDBHSA-N 280.346 4.569 30 10 CJEE CC(C)c1ccc(OCC2(C#N)CCCCC2)cc1 57545270 WNSOEXWIDSNNLT-UHFFFAOYSA-N 257.377 4.663 30 10 CJEE Cc1cccc(OCCCC[C@@H](C#N)c2ccccc2)c1 57684429 SHRBYWXDWFUGFV-SFHVURJKSA-N 279.383 4.852 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)[C@@H](C)c2ccccc2)c1 57746917 WRIKBBLEMMGSJQ-KBXCAEBGSA-N 279.383 4.668 30 10 CJEE CCCCCCCCOc1ccccc1CNC1CC1 59178734 IGKDXVMPTJSOMO-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE CCCCCCCCCN(CCCN)c1ccccc1C 59203610 PSAMSICKPUJDQV-UHFFFAOYSA-N 290.495 4.901 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(F)cc1F 59423076 UIPOYVZIHCYWFX-LBPRGKRZSA-N 255.352 4.586 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)C1 71110460 YQILOLNFNOSYOK-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE CCCCCn1cc(C(=O)CC#N)c2cccc(CCC)c21 84864246 WEZULEZGVZUGNS-UHFFFAOYSA-N 296.414 4.880 30 10 CJEE CCC1CCC(C#N)(Cc2cc(C)ccc2C)CC1 87933652 MUCXVHCDIDRWLK-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CC1CCC(C#N)([C@@]2(O)CCC[C@H](C(C)C)CC2)CC1 91903475 ABSUTXJGITVBEV-JYSRZZCRSA-N 277.452 4.674 30 10 CJEE Cc1ccc(SC[C@H](CS)C(C)(C)C)cc1C 94588752 XLYNSCSUXCLFHR-ZDUSSCGKSA-N 268.491 4.988 30 10 CJEE CCC[C@@H](CS)CSc1cc2ccccc2[nH]1 94631080 WVGOJVMVVFLAEE-NSHDSACASA-N 265.447 4.606 30 10 CJEE Cc1ccc(SC2(C#N)CC(C(C)(C)C)C2)cc1 97331470 GBXPTNSHUZWMLZ-UHFFFAOYSA-N 259.418 4.806 30 10 CJEE Fc1ccc(OCCCCCCCCCS)cc1 97799663 PPZCPAFCXRWGCF-UHFFFAOYSA-N 270.413 4.865 30 10 CJEE CCc1ccccc1Nc1cc(Cl)ccc1C#N 104002929 LWFVJBCJBROZSZ-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(C)c(OCC)cc1C 107652730 CDVDMXKHYBPLAY-CZUORRHYSA-N 258.405 4.855 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC(CCC)CC1 110026430 XYWCJAZGRIVSIF-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCOc1ccnc(CNC(C)(C)C)c1 110157886 YCGBEEZIGOHEMC-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE Cc1ccc(C)c(Oc2cccc(Cl)c2C#N)c1C 110262281 DCVBZOXPGIWMMU-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCC[C@@H](Nc1ccccc1Cl)C(=O)OC 110318935 KRCSVPURTILNOW-OAHLLOKOSA-N 297.826 4.654 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc2nccnc2c1 112320015 OORYOAJUIBNYHB-INIZCTEOSA-N 285.435 4.770 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CN1CCCC1 113012400 UFJFTJQUORZMJP-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cccc(F)c1 115649783 GOMILIFQSYWVOB-MRXNPFEDSA-N 252.373 4.784 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cncn1CCC 116812989 KXDMKLWGRVORTR-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE CCSCCCC1(C#N)CCC(C(C)C)CC1 124254319 FCFZKNGFLYHUCA-UHFFFAOYSA-N 253.455 4.876 30 10 CJEE C#CC[C@@H](CC)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 129738926 LUUIVLHNFYDNPX-DOMZBBRYSA-N 284.230 4.836 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 130952237 JPQRMFGOFHECEA-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](OCC)C(C)(C)C 131962709 QGEUSLLFXDHXBQ-HOTGVXAUSA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@H](N)c1cccc(OC2CC2)c1 132381916 PKYYVALYTITRNL-SFHVURJKSA-N 275.436 4.978 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ccnc(C)n1 132496159 NMBKPCJVHBGRBW-QGZVFWFLSA-N 291.483 4.966 30 10 CJEE CCCCCCCCCC[C@H](O)CCc1ccccn1 135560279 FIGZDHOKZRJZMC-SFHVURJKSA-N 277.452 4.906 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(C(F)(F)F)c2)CC1 142196649 YDILHDSGJJXLQT-SNVBAGLBSA-N 268.278 4.635 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(F)c(F)c1)NC 147350925 AASQKDLKUXKOTD-HNNXBMFYSA-N 283.406 4.846 30 10 CJEE CCCCCCC[C@@H](CCc1ccc(OC)cc1)NC 157997978 ACCMLHWGJRATLG-KRWDZBQOSA-N 277.452 4.576 30 10 CJEE CCCCCCCCn1ccnc1-c1cccs1 158078378 PPNIQSIBSQVAEM-UHFFFAOYSA-N 262.422 4.972 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(CC)OCC 163987103 KATWWKMEMPWQKI-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE N#Cc1cc(Sc2cccc(F)c2)ccc1C(F)(F)F 164521606 JJPKXNAARRUNMC-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE N#C[C@H](CSCc1ccc(Cl)cc1)c1ccccc1 165993901 URTZWCMPRNFOEW-OAHLLOKOSA-N 287.815 4.881 30 10 CJEE CCCCCCCCO[C@@H](CCC)CNCCC 211373023 XTYAMDCZCZDLOJ-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(N(C)C)CCC[C@@H](C)C1 217595974 KVGYZMAXYYXRIW-QYZOEREBSA-N 296.543 4.836 30 10 CJEE CCCCCCCCOC(=O)c1cc(Cl)nc(CC)c1 228483163 FCRNMFQYRVEKTD-UHFFFAOYSA-N 297.826 4.815 30 10 CJEE CCCCCCC[C@H](NN)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 228767588 FBJWJLPCUOJSCL-HZOPKGLOSA-N 292.511 4.785 30 10 CJEE C=CCCCCC[C@@H](CC[C@H]1CCCCO1)NCCC 233124124 PKVSEQPLZSWETG-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(F)c(F)c1)NCC 233537668 PAOMGKHUWORFOE-HNNXBMFYSA-N 281.390 4.622 30 10 CJEE C[C@@H](Nc1ccc(C#N)c2ccccc12)C1CCCC1 235232591 OYQNQIGWQXGWSG-CYBMUJFWSA-N 264.372 4.702 30 10 CJEE C=CCCCCC[C@H](N)c1cc(C)cc(Br)c1 235762311 WAMUXYHIKHYMFM-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCc3ccccc32)c(Cl)c1 235991193 JKKPDHZDMRVOTN-GOSISDBHSA-N 281.786 4.599 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCCC[C@@H]1C(F)(F)F 236536122 RWLYIMCOZICROP-RDBSUJKOSA-N 278.358 4.853 30 10 CJEE CCCCCCCCCCN1C[C@@H](C(C)C)NC[C@H]1CC 250796722 BASJPXWBKFJIAX-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCN(C1CCCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252433504 CIOPFDLDZDVBMM-LZLYRXPVSA-N 290.495 4.996 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)C[C@@H](C)CC[C@H]2C)CC1 252543623 HFXWTMQNWNCGJM-QNVOQPSNSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CO[C@H](C)C1 253014191 UNVMINCVGCQXRV-SQNIBIBYSA-N 298.515 4.554 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@H](C#N)Nc2ccc(Cl)cc2)C1 300077439 BZEXUVIAIMEYCZ-GHJWDPDVSA-N 274.795 4.636 30 10 CJEE CCCC[C@H](CC)Cn1ccc2c(C#N)cccc21 300459305 JHJHEFUWXNWUCI-AWEZNQCLSA-N 254.377 4.729 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCCC(F)(F)C2)C1 306040310 TXUSTNZELHQMDX-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE C[C@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 307890297 HSBFWLZVFMKENF-AWEZNQCLSA-N 298.213 4.675 30 10 CJEE C=CCCCCN[C@H]1CCC[C@@H](C(C)(C)C)CC1 310898626 MGQFKFKIKYFHPV-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCCCCN[C@H](C)c1cccc2ccccc12 311892900 YRXLBORBMKWTML-OAHLLOKOSA-N 253.389 4.847 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc3ccccc3n2)C1 312712115 GCLZXPZZFCIXQB-INWMFGNUSA-N 282.412 4.655 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 316703485 CLQSRQGVVTZZNC-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE C[C@H](CS)CSc1ccc(Cl)cc1Cl 322642044 UOIJSQPWAZPZNM-SSDOTTSWSA-N 267.246 4.651 30 10 CJEE CCCCCCCOc1cccc(C[C@H](N)CC)c1Cl 328217737 KNVCRSGTIXGPTE-OAHLLOKOSA-N 297.870 4.969 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CN1CCCC1 328503881 WRDNHJMRARRMQW-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CC(C)(C#N)CCCCN1CCCC[C@@H]1c1ccco1 365443817 PJEHOROPHDSCMA-OAHLLOKOSA-N 274.408 4.527 30 10 CJEE CCCCCCCCCCn1cc([C@H](C)NC)nc1C 383241769 FUMGEIDDSLIDAH-HNNXBMFYSA-N 279.472 4.613 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccc(C(C)(C)C)cc1 384895847 VFNHOVKOWIUHRN-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CCC(F)(F)C1 386531525 WSQYYVJRWXVLGJ-CABCVRRESA-N 273.411 4.927 30 10 CJEE CCCCCCCCCNCCOCc1ccccc1 390056520 ODOATIQGUMXQEL-UHFFFAOYSA-N 277.452 4.543 30 10 CJEE N#CC1(c2cc(F)c(Cl)c(Cl)c2Cl)CCC1 390501926 UMACGJRYFSFGCE-UHFFFAOYSA-N 278.541 4.731 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)C2(C#N)CCCCCCC2)C1 394593571 CNZUEGAIESXYPB-BRWVUGGUSA-N 277.452 4.818 30 10 CJEE CCC(CC)n1ccc(C[C@]2(C#N)CCCC[C@@H]2C)n1 394978918 VCYZLRIETXQMLZ-YOEHRIQHSA-N 273.424 4.507 30 10 CJEE CC(C)(C#N)c1nc(-c2c(Cl)cccc2Cl)cs1 400822378 QTLITODURXGIMS-UHFFFAOYSA-N 297.210 4.918 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)CC(F)(F)F 402563137 MPBIZHSUOHNPIS-NSHDSACASA-N 252.320 4.895 30 10 CJEE CCCCCCCCOCc1ccc(C#N)c(F)c1 404056825 GUTWVZKVQYXKLY-UHFFFAOYSA-N 263.356 4.574 30 10 CJEE COc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 575381262 QXWZOCZKIJBELH-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C#CCCCCC[C@H](NCC)C(CCC)CCC 686686345 HTBDFFHHZIRNDY-KRWDZBQOSA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(Cl)o1 686687839 YUXODXSZULALHP-ZDUSSCGKSA-N 267.800 4.557 30 10 CJEE CCCCCCCCC[C@]1(O)CC[C@H](C)SC1 689489355 YKNIMTSZTLSVFA-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)c1ccc(Cl)cc1C#N 691060078 ZYOLUXJKZPSURC-DOMZBBRYSA-N 276.811 4.617 30 10 CJEE C=C[C@@](C)(CNCCC)CC(C)(C)CC(F)(F)F 694067558 ORINRFLSCAZPFF-CYBMUJFWSA-N 265.363 4.547 30 10 CJEE CCCCCCCCCCC[C@H](O)Cc1ccns1 694563610 CIXVZGJSMOFHEP-HNNXBMFYSA-N 283.481 4.967 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697312012 UUEDSGWUXUAIQE-SWQDBYSLSA-N 273.464 4.536 30 10 CJEE CCCCCCCC[C@H](NC)c1csc(COC)c1 699869419 IQRPZHNDSXDOBR-INIZCTEOSA-N 283.481 4.906 30 10 CJEE CCCCCCCC[C@](C)(O)c1nc(C)c(C)s1 701923438 OVADYHPKXVHHOG-HNNXBMFYSA-N 269.454 4.718 30 10 CJEE N#C[C@H](C(=O)c1cc2cscc2s1)c1cccs1 703738458 JFOJIITZMDTGMR-VIFPVBQESA-N 289.406 4.514 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(CN)cc1 704538204 PRTRKQWFTLCBOH-GOSISDBHSA-N 277.452 4.710 30 10 CJEE Cc1cccc(N[C@H](C#N)c2c(F)ccc(F)c2Cl)c1 705780634 ZWENYSPERKSLAU-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C2CC2)cc1 709322087 CLYNLSDNSWCEEP-MOPGFXCFSA-N 269.432 4.789 30 10 CJEE CCC(=CC(=O)c1cc(C(F)(F)F)ccc1C)CC 713216181 KGQHLDSAHSQZBB-UHFFFAOYSA-N 270.294 4.943 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](C)c2ccccc2)CC1 724576574 YXBYQTLFXHJQLZ-VQIMIIECSA-N 271.448 4.905 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(Br)c2)CC1 724582359 KZOZVYYXRWTIBR-HNNXBMFYSA-N 294.236 4.585 30 10 CJEE C=C1CCC(C[C@@H](O)[C@@]2(C)CC[C@@H](C)C2(C)C)CC1 724585508 FYCCUOWFTLATIS-QGPMSJSTSA-N 264.453 4.946 30 10 CJEE Cc1cccc(C=Nc2sc3c(c2C#N)CCCC3)c1 1083894304 OLPVNXGBKXFNOR-UHFFFAOYSA-N 280.396 4.558 30 10 CJEE C=C(C)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 1128494321 WQUGTDHYPRPPSO-SNVBAGLBSA-N 286.202 4.527 30 10 CJEE C=CCCC[C@@H](NC(=O)C[C@H](C)C1CC1)c1ccccc1 1132948865 MGVXFTCZUVZYJN-MAUKXSAKSA-N 285.431 4.636 30 10 CJEE C=C(C)CN1CCCc2cc(-c3ccccc3)ccc21 1167903795 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291.426 4.529 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnn(C)c1CC 2152897504 VIJNCZDDYLRJAK-KRWDZBQOSA-N 280.456 4.547 30 10 CJEE Cc1cnc2ccccc2c1[C@]1(C#N)CCC[C@H](C)C1 2154736040 RPGZUSLTUOFBTE-SCLBCKFNSA-N 264.372 4.515 30 10 CJEE CCCCCCC[C@@H](CCCCCOC(C)(C)C)NN 2155526935 ACLWZZFTCBHHPP-INIZCTEOSA-N 286.504 4.554 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCOC2CCSCC2)CC1 2157111059 JGWMAPFLJAVXKB-KRWDZBQOSA-N 295.492 4.789 30 10 CJEE C[C@](C#N)(Cc1cscc1C(F)(F)F)c1ccccc1 2157159098 DFSJOAZURGUMRR-CQSZACIVSA-N 295.329 4.791 30 10 CJEE CC1(C)CCSC(=N[C@H]2CCCC3(CCCCC3)C2)N1 2158599804 CHTXZCLEUYORSZ-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE C=C1C[C@H]1Cn1c(-c2ccccc2)cc2ccccc21 2158767197 CXOPLRLGVTVZOD-KRWDZBQOSA-N 259.352 4.884 30 10 CJEE C[C@@H]1C[C@@H](CCC2(C#N)CC(C)(C)CC(C)(C)C2)CO1 2159313246 KXPDWFCCIBQNID-HUUCEWRRSA-N 277.452 4.938 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cnccc1C 2159948488 HPZGYVORKJVMQE-CQSZACIVSA-N 284.428 4.841 30 10 CJEE C=CCC[C@H](CC1(c2ccccc2)CCCC1)NCC 2161401422 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CCCC#CC[C@H](Cc1c(F)cccc1Cl)NCCC 2203793520 VYZQOAQCTJNHPD-CQSZACIVSA-N 295.829 4.583 30 10 CJEE C=CCCCCCC[C@H](NC)c1ccc(OC)cc1F 2206893693 CGXLYFFUKSOPES-KRWDZBQOSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)CCCC(C)(C)CC1 2206903224 QGPZOWNCGMKJPQ-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CCN(C(C)C)C1 2207403171 HEIGUYVGCVNKJR-SFHVURJKSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC(=O)C[C@@H]1C[C@H](N)C1(C)C 2207406720 ZUQKABUJGOWSSE-WBVHZDCISA-N 279.468 4.626 30 10 CJEE C=CCCCCCCCC[C@]1(O)CO[C@H](C(C)(C)C)C1 2207413638 KNVDYVJIXHOFKQ-FUHWJXTLSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CO[C@H](C2CC2)C1 2207428666 BIDDIXRZJXYJTL-ZWKOTPCHSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@]12C[C@H](C)[C@@H]1C2 2207442110 OCOLXDBRPJFYRY-XSLAGTTESA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCCC(F)F)NCC 2207444854 MVDCYBGWHPSXGS-LSDHHAIUSA-N 293.442 4.511 30 10 CJEE CCCCCCCC[C@@H](O)C1(C#N)CCC(F)(F)CC1 2207460454 ZSANLTMWMQWFDC-CQSZACIVSA-N 287.394 4.817 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cscc1F 2217291644 TUQNKEMPMSDTCZ-CQSZACIVSA-N 258.402 4.845 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)CCC1CC1 2220009772 QRWHBMWKSXKPRR-SFHVURJKSA-N 271.470 4.750 30 10 CJEE C=CCCCCCCC[C@H](N)c1cnc(C)cc1C 2227271517 ATNMIVRTNNTGNF-KRWDZBQOSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@H](N)c1ncc(C)cc1C 2227274620 KTGGEXZEUYDRQH-INIZCTEOSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccccc1OC 2227277109 WJYGHHFLKZPCCZ-MRXNPFEDSA-N 262.393 4.645 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)CCCCCC 2227292312 ZBKWTBCSXOUGMD-MRXNPFEDSA-N 268.441 4.804 30 10 CJEE CC(C)c1cc(Oc2ccc(C#N)cc2Cl)ccn1 2228121320 WYXQLFNNQUPUCA-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CC1(C[C@@]2(C=O)CCCC23CCC3)CC2(CCC2)C1 2228290123 YDIJMVCNHOSMEO-GOSISDBHSA-N 260.421 4.886 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]1Sc1ccccc1 2228600371 AXHIKPABONIFEQ-IAGOWNOFSA-N 275.461 4.646 30 10 CJEE CCCCCCCCCCO[C@H]1C[C@H](NC)C1(C)C 2231013789 IWDFTWRAVOUTKZ-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE 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CJEE CCCCCCCC[C@@H](O)C(C)(C)N1CCCCCC1 118149078 ZUSCKBXBSXVXKK-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccc(F)cn1 122513346 UVFISMZYAAFHMT-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCC(=O)c1c[nH]c2ccncc12 128163508 VENNMFQTYJQHOP-UHFFFAOYSA-N 272.392 4.886 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C[C@H](C)N 128620336 HCTBXVJWOGFHLA-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE CCCCCCCCOC[C@H](N)c1cc(C)cc(C)c1 133100859 HWGROMVHCVSIHR-SFHVURJKSA-N 277.452 4.680 30 10 CJEE Cc1cc(Cl)ccc1Oc1c(F)cc(C#N)cc1F 134001444 IPFOEQYZGCGYST-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(C(F)(F)F)cn1 140449899 OULXCNLGNQMVEF-CYBMUJFWSA-N 288.357 4.851 30 10 CJEE CCCCCCCCCC[C@@](C)(F)C[C@@H]1COCCN1 157571347 UZLKHEUBGUBPEA-IAGOWNOFSA-N 287.463 4.624 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC(C)C)c1 158054361 XLXRUPBRQNFYDF-KRWDZBQOSA-N 263.425 4.834 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1C[C@@H]1c1ccccc1 159082580 YVQONSUOEVZECQ-FGTMMUONSA-N 259.437 4.868 30 10 CJEE C=CC[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 162648984 ILKHYEOUDZKEIP-HZPDHXFCSA-N 265.400 4.969 30 10 CJEE C=CCCC[C@H](NC)c1cc2ccc(F)cc2s1 167746984 YCKZCUSJWOMGME-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE CC1(C)Cc2ccc(Cl)cc2[C@H]1Nc1cccc(C#N)c1 214813740 HCPCYLSIKNMWAB-QGZVFWFLSA-N 296.801 4.947 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2ccnc2C(C)C)C1 222234249 UKQHVVVQIPXHDE-OAGGEKHMSA-N 287.451 4.924 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2ncc3ccccc32)C1 224619591 XCCIFTRDVSBGMO-LXZKKBNFSA-N 281.403 4.563 30 10 CJEE CCCC[C@@H](CCC)n1c(S)nc2ccc(C#N)cc21 225797346 GKTUZLYAGDXKTP-CYBMUJFWSA-N 287.432 4.728 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CNCc2ccccc21 226387379 FDOVEGUGMMCNGF-GOSISDBHSA-N 287.447 4.583 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](NC)c2cc(F)ccc2O1 229148060 GDHGNGMMZGMNHV-WMZOPIPTSA-N 293.426 4.988 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CC[C@@H](CC)C1 229231626 WHRPFVLKOPEFFE-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE C#CCCCNCCCCCCCCCCCC 229834369 QNEZLMMKPOTXAA-UHFFFAOYSA-N 251.458 4.910 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079865 YGQFJXYOLRHAAT-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CC(C)(C#N)CCCCOc1ccc2c(c1)CCCC2 232522403 IANBWQAZZBQYND-UHFFFAOYSA-N 271.404 4.664 30 10 CJEE CC(C)(C#N)CCCCn1ccc2ccc(F)cc21 232528118 KZTJKHCGSOAACX-UHFFFAOYSA-N 258.340 4.500 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1cccc(Cl)c1N 232946206 GIJQBIDLMCURQX-ZDUSSCGKSA-N 297.826 4.841 30 10 CJEE CCCCCCCCC[C@@H](C#N)NC1CCCCC1 232995709 GOVPUWGZXLDVAN-KRWDZBQOSA-N 264.457 4.942 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(N(C)C)cc1 233545183 HIHCYEARDFRJIA-SFHVURJKSA-N 274.452 4.540 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(C(F)(F)F)cc1 236549703 KLTNUEXTEPEDTF-CQSZACIVSA-N 272.310 4.875 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@H](CS)C(C)(C)C)C1 251952078 WXUSUHOUMDMZGT-FRRDWIJNSA-N 260.512 4.890 30 10 CJEE CC(C)(C)c1ccc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 252808441 DNZJDKDSFHJISV-IEZWGBDMSA-N 267.416 4.857 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)[C@H]1C 253109820 WSRINAQJFOSIME-OIGKAMSRSA-N 290.495 4.707 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N 253624174 CUFASKMMOIVJOV-BRWVUGGUSA-N 283.500 4.906 30 10 CJEE C/C(C=NO)=C(/Cl)c1ccc(-c2ccccc2F)cc1 257352723 NALTUZHWFHPPAD-FPHKHMEQSA-N 289.737 4.923 30 10 CJEE Cc1ccc(C(C)(C)C)cc1NC[C@H](C#N)C(C)C 259099986 WTKDHTOGTJKPHF-AWEZNQCLSA-N 258.409 4.500 30 10 CJEE C=CCCCCC[C@H](N)[C@@H]1CCCC[C@H]1C(F)(F)F 300257943 QYYYRTCGNUHCMQ-MCIONIFRSA-N 277.374 4.819 30 10 CJEE CCC[C@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 307001554 CBJXUQGJRPXBFC-RHIYTYFCSA-N 278.245 4.925 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H](CC)CC(C)C 308095382 LVXPSZLRTHQZKR-IAGOWNOFSA-N 265.485 4.867 30 10 CJEE CC1(CCNc2ccc(C#N)cc2Cl)CCCC1 310799774 AHRKGGFPYOBHNF-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCCCNC[C@@H]1CCC2(CCCCC2)O1 312366400 BZMQCJLYNZSJHL-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2OC)C1 316775725 FMQWMXZQYRRYFX-DYVFJYSZSA-N 294.822 4.677 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(CSC)cc1 327954453 ZOGDIAPDBLZEDT-QGZVFWFLSA-N 294.508 4.805 30 10 CJEE C=CC(C)(C)CNCc1ccc(SC(F)(F)F)cc1 384835761 GTKIWZLFLLAHQJ-UHFFFAOYSA-N 289.366 4.600 30 10 CJEE C=CC[C@H](CCSc1ccccc1)CNC(C)(C)C 387401474 LGNKPOPZTHHNPR-OAHLLOKOSA-N 277.477 4.749 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)Cc1c(Cl)cccc1Cl 395076538 RBIINIJYZIVZPY-YGRLFVJLSA-N 268.187 4.866 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc2cc(OC)ccc2c1 398080231 QUOWYOIWCFRTNK-OAHLLOKOSA-N 283.415 4.683 30 10 CJEE CCCCCCC[C@H](N)c1c(F)cc(C)cc1F 398523519 SXTSXWIHEBSDID-AWEZNQCLSA-N 255.352 4.634 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)OC(F)(F)O2 401035427 AVQZJURVJNOELW-UHFFFAOYSA-N 284.302 4.551 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1C 466546716 YOOAAJHTYLLYRR-SNVBAGLBSA-N 285.309 4.555 30 10 CJEE N#CCc1cc(-c2ccc(Cl)c(Cl)c2)ccc1F 514262634 QVAPUYCZNHLTAK-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=C(C)C[C@@H](C)c1nc(C2(c3cccc(C)c3)CC2)no1 560355492 BERJWWKVDCAUTC-CQSZACIVSA-N 282.387 4.528 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc2cc(C)ccc12 620304285 UJJOKSHLGBEJKF-OKILXGFUSA-N 297.423 4.533 30 10 CJEE C=C[C@H](C)C1(CNC2CC2)CC(C)(C)CC(C)(C)C1 688010505 VAXADIONNKQDNH-AWEZNQCLSA-N 263.469 4.783 30 10 CJEE N#Cc1cc(NCCCC2CCC2)ccc1C(F)(F)F 689029577 IIZZVLOYIWKOLU-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE N#C[C@@H](CNc1ccc(C2CC2)cc1)C1CCCCC1 690110726 NTFHDZACADERAO-KRWDZBQOSA-N 268.404 4.696 30 10 CJEE C=CCCC[C@@H](NCC)C(CC)(CC)C(F)(F)F 690217622 QGJLDVPGHWSUAZ-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE Cc1cc(Nc2cc(C)c(C#N)c(C)n2)cc(C)c1Cl 690239440 BZTRRBFNLNUUJI-UHFFFAOYSA-N 285.778 4.584 30 10 CJEE C=CC[C@H](NCCC)c1cc2cscc2s1 694425572 KKCZJKQDUPTCDU-NSHDSACASA-N 251.420 4.580 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CCCC[C@@H]1N 696986773 QZYTVTRWELDGCD-SQNIBIBYSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@@H]1C1CC1 699030766 PERWKLCOIUCAGL-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@]1(N)CSCCC1(C)C 704844928 QZTTYQPLSHBABF-OAHLLOKOSA-N 257.487 4.598 30 10 CJEE SCCCCCCCCCN1C[C@@H]2CCCC[C@H]21 706797788 UHUTYDMVQXKWOK-JKSUJKDBSA-N 269.498 4.521 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@H]2C[C@@H]21 709422780 OTTXDUHWZBHCTB-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE C=CCCC(C)(C)Cn1c(S)nc2ccc(C)cc21 709424534 QSUFMURJIJFUAE-UHFFFAOYSA-N 274.433 4.626 30 10 CJEE C=C(Cl)C[C@H](Cc1c(Cl)cccc1Cl)NCC 710558772 UJTUHHHTDADPAH-SNVBAGLBSA-N 292.637 4.657 30 10 CJEE CCCCCCCOCc1cc(CNC(C)C)cs1 711374064 ZJLOIEXLZQZJEL-UHFFFAOYSA-N 283.481 4.733 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1ccns1 716012652 CVRZCCGLWGSVSO-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCC1CCC(C=O)(Cc2scnc2Cl)CC1 721815826 VOUCNPXDAYCFLI-UHFFFAOYSA-N 285.840 4.515 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@]2(C)CCCS2)CC1 724546311 YGNSVNBCFWSPEZ-SJORKVTESA-N 281.509 4.777 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H](CC)CC(F)(F)F)CC1 724561015 VFMLBZRVTJRDST-UONOGXRCSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@H](NN)c2cc(Cl)cc(Cl)c2)CC1 724578392 CSPASQOMZZRPDH-HNNXBMFYSA-N 299.245 4.634 30 10 CJEE C=C1CCC(C[C@]2(CNCC(C)C)CCCS2)CC1 724618159 UMKJMFKLRUOMLN-KRWDZBQOSA-N 281.509 4.634 30 10 CJEE CCCCCCCCCCCN1CCCOCCC1 725327902 VDSLVFYFHUKTHJ-UHFFFAOYSA-N 269.473 4.630 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]2C[C@H]1C2(C)C 821989407 XYXHSLDAVVJDHJ-BPKGMFCQSA-N 261.453 4.536 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1125004808 DUNWYJWPUMEJMD-INIZCTEOSA-N 287.447 4.882 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1134728860 UADZHBSNTRSFLN-BSDSXHPESA-N 289.463 4.550 30 10 CJEE C=C(CC)C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 1140605285 WNGSDOKOKVMCLA-HNNXBMFYSA-N 294.398 4.764 30 10 CJEE C=C1CCC(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)CC1 1157687674 ZQOZNUORONZFCW-SFHVURJKSA-N 297.442 4.528 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc3sccc3c2)C1 1178855513 KTQMLDOLXPGREK-BBRMVZONSA-N 271.429 4.736 30 10 CJEE C=C(CC)CN[C@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 1182357959 YIPRPOHWEGQXJE-CJNGLKHVSA-N 297.364 4.686 30 10 CJEE C=CCCC(C)(C)NCc1cccc(OC(C)(C)C)c1 1203227935 KOBOUSAWEJNNBC-UHFFFAOYSA-N 275.436 4.698 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)c1cccc(C)n1 1258039788 XXNBKRQWCPVCDQ-GOEBONIOSA-N 262.441 4.790 30 10 CJEE C=C(C)CCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 1265106834 YGDJOLXOUHXOJI-INIZCTEOSA-N 299.439 4.504 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1267082629 HUJRFBWOOKIZGY-SFHVURJKSA-N 299.458 4.906 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccccc2C)C[C@H]1C 1307492257 ZRHUOHQDLMGAGW-RTBURBONSA-N 283.459 4.757 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cccc(C(C)C)c1 1308585650 PTRVYMHJAQODCV-UHFFFAOYSA-N 279.427 4.998 30 10 CJEE C=C1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 1308585935 KDNLZNWHSDBYKY-UHFFFAOYSA-N 297.373 4.770 30 10 CJEE C=CCCCCCN(C)C(=O)NC1CCC(CCC)CC1 1311692147 GRUTUFAKDVWLIQ-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccccc1-c1nnc(C)o1 1321944552 ZZVBUSBYRODOEK-AWEZNQCLSA-N 299.418 4.982 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(OCCCC)cc1C 1357182669 JIHIVEZNCVPTIU-OAHLLOKOSA-N 289.419 4.715 30 10 CJEE C=CC1(CC(=O)NCC[C@@H]2CCCC[C@@H]2C)CCCCC1 1435161115 MDWIZQKOMVAGQK-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=CCCC1(CNC(=O)CCC2CCCC2)CCCC1 1437627222 BYYMYUJAEJRYLW-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(CC)c(C)c1)c1ccccc1 1458059927 ZSWJYNHQOOVFMF-LJQANCHMSA-N 293.410 4.856 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]1CCC 1460845315 VNCIMIRKMDFJKD-GUDVDZBRSA-N 299.458 4.506 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CC)c2ccc(C)c(F)c2)C1 1462002691 SQGQSOYCXAWFHI-HFTRVMKXSA-N 275.411 4.920 30 10 CJEE CC(C)[C@@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)CC1 1462122931 BUNOIFGDIQRYTB-VEZWFGLTSA-N 276.468 4.653 30 10 CJEE C=CCCCN(CC)C(=O)C1CC(C)(C)CC(C)(C)C1 1463241329 RVRJLZRALLLSJT-UHFFFAOYSA-N 279.468 4.654 30 10 CJEE C=CCC[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1ccccc1 1466243729 LENMOIUGGMRODO-GOSISDBHSA-N 297.442 4.947 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C/CCC)c1ccccc1 1471588684 IDFCEUMLYJXRSZ-FVLHSZHDSA-N 271.404 4.557 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](C)c2ccc(F)c(C)c2)C1 1474540209 BZESBZWDJSBOPF-IJEWVQPXSA-N 261.384 4.530 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(Cl)c1 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268.356 4.633 30 10 CJEE CCCN[C@H](CC1(C)CCCC1)c1cccc(C#N)c1 2164203799 NIUHDBVMRVIAPQ-QGZVFWFLSA-N 270.420 4.569 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc2cc(OC)ccc2c1 2164256105 XIINHDUSJVXDNQ-QGZVFWFLSA-N 289.806 4.642 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc([C@H]2C[C@H]2C)o1 2164477895 PCVJNHWUEWLDNJ-GFOFROLCSA-N 275.392 4.547 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)CC1 2166052949 WMQNYZAJTZJQCL-MGPQQGTHSA-N 284.390 4.843 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CC2(CCCCC2)CO1 2166270796 ATAYLRDCZAYTMD-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCCCCCNC[C@@H]1CC2(CCC2)CO1 2166420332 KWZOPKJZHKVJSL-KRWDZBQOSA-N 281.484 4.676 30 10 CJEE CC(C)(C)[C@H](C[C@H](O)CC#CC1CCCCC1)C(F)F 2167669618 DGRIAQVQOUTJMY-HUUCEWRRSA-N 286.406 4.639 30 10 CJEE C#Cc1ccccc1CNc1ccccc1SC(F)F 2170211069 ZKXALHPVXXZYPO-UHFFFAOYSA-N 289.350 4.595 30 10 CJEE CCC1(CC)CCCN([C@@H]2CCCCC[C@H]2C#N)CC1 2171394585 LOCVRFONRHXBGG-DLBZAZTESA-N 276.468 4.751 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1ccc(-c2ccccc2)cc1 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4.674 30 10 CJEE C#CC[C@H](CC1(N)CC2(CCC(C)(C)CC2)C1)C1CC1 2196827460 RGLFQXQYIXSFGY-MRXNPFEDSA-N 273.464 4.504 30 10 CJEE C#CC[C@@H](C)CC1(CNC(C)(C)C)CCC(F)(F)CC1 2196849676 QXQAPQKLMVBGKF-CQSZACIVSA-N 285.422 4.620 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)C1C[C@H]2CC[C@H](C1)C2 2197142714 UAPVRZHBMOLIGQ-TXPKVOOTSA-N 269.432 4.504 30 10 CJEE C=C1CC(CNC(C)C)(C[C@H]2C[C@H]2C2CCCCC2)C1 2200338403 MHYKQBJGCPNJTI-MSOLQXFVSA-N 275.480 4.927 30 10 CJEE O=CC1(C[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]2CC[C@H](C1)S2 2200380305 DIJZPCOVJRFKIF-KYLYMASSSA-N 292.488 4.836 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(O)CCCCC1(C)C 2201472613 WCATWHZQKLWXDV-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CCCCCC#CC[C@@H](O)[C@H](c1ccccc1)C(C)C 2203783784 RNSUZCGLOKDLFS-MOPGFXCFSA-N 272.432 4.761 30 10 CJEE CCCCC#CC[C@H](NCC)C1C2(CCC2)C12CCC2 2203985417 IVXZXBFQSFPQAM-INIZCTEOSA-N 273.464 4.519 30 10 CJEE C[Si](C)(C)C#CCC(=O)c1ccc(-c2ccccc2)s1 2206107996 COGQULMYIXORBM-UHFFFAOYSA-N 298.483 4.869 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)cc1COC 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C=CCCCCCCCCSC1=N[C@@H]2CCCC[C@H]2N1 2207441011 ZRZBPAVZHTZROI-HZPDHXFCSA-N 294.508 4.907 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1(C)CC1)NCCC 2207456144 IHOFCYOCCXQEGV-SJORKVTESA-N 283.500 4.656 30 10 CJEE C=CCCCC[C@@H](O)Cc1cc(Cl)ccc1Cl 2213513190 ZUGYSAMFTDIKIF-CYBMUJFWSA-N 273.203 4.643 30 10 CJEE C=CCCC[C@H](NCC)c1sc(C)c(C)c1C 2215537702 IGHNNZAMNMLPPO-AWEZNQCLSA-N 251.439 4.680 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCS[C@@H]1C 2217313657 MFVWUUKJENQZDT-RRFJBIMHSA-N 257.487 4.609 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc(C)c(C)o1 2220086353 ZHNLXKHYBULKTH-HNNXBMFYSA-N 250.382 4.847 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@]1(C)CC1(F)F 2220088630 ZPKIDFMRPFHDIM-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C[C@@H](CCCCC)Oc1nc(Cl)c(C(C)=O)s1 2223219436 NXJGSOPZMANEKO-JTQLQIEISA-N 287.812 4.513 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](N)c1ccc(Cl)s1 2223235497 UEVVSLASUPQVOO-NWDGAFQWSA-N 287.856 4.553 30 10 CJEE N#C[C@@]1(C/C=C/c2ccccc2)CCCC(F)(F)C1 2226210330 JSQQBZKSUSICPK-LWUPOJRFSA-N 261.315 4.809 30 10 CJEE 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CCCCCCCC[C@](C)(O)C(=O)CCCC(C)(F)F 2240638619 WCXAGOWCAUTUGY-HNNXBMFYSA-N 292.410 4.883 30 10 CJEE CCCCCCCC[C@@H](C)NCCc1ccc(O)cc1 2240643183 VBKWZBZDMPXRIY-MRXNPFEDSA-N 277.452 4.663 30 10 CJEE CCCCCCCC[C@@H](C)NC1CN(C(CC)CC)C1 2240656129 DQAWMNKXDOBZIT-MRXNPFEDSA-N 282.516 4.588 30 10 CJEE C=C(C)CC[C@@H](O)c1sc(Cl)cc1Br 2242101294 CCPDVSRJQYGEON-MRVPVSSYSA-N 295.629 4.554 30 10 CJEE C=C(C)CCCCNc1ccc(C)c(Br)c1 2244629014 ULBBZRHKUJOUBA-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CC(C)(C#N)CCCCSCC1=CCCCC1 2247508330 HYTRADWJINIYRX-UHFFFAOYSA-N 251.439 4.940 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(Br)c1C 2250168045 YMJUGIILFHULHO-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE CC(C)CCC[C@H](C)CCOCCC(C)(C)C#N 2257267820 PNHQJQQIBOJMJO-HNNXBMFYSA-N 253.430 4.795 30 10 CJEE C=CCCCC(=O)OCC[C@H](C)CCC=C(C)C 2257417065 VCQUZYYTNMZUBO-OAHLLOKOSA-N 252.398 4.659 30 10 CJEE C=C(C)CCCC[C@@H]1CCC[C@@H]1CNC(C)(C)C 2259193219 OGUNFQRXFDGVPP-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCSC[C@H]1NCC[C@@H]1C 2260354061 FECUEGKJKKODGM-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE SCCCCCCCN1CCCC12CCCCC2 2263206150 OMODTIQTFMQADM-UHFFFAOYSA-N 269.498 4.665 30 10 CJEE CCCCCCCCC[C@](C)(C#N)N[C@@H](C)CC 2263670230 IROQCJNQGILEFC-JKSUJKDBSA-N 252.446 4.797 30 10 CJEE C=COCCCN[C@H](C)CCCCCCCCC 2263718839 VJKQTZNIRHOQCG-MRXNPFEDSA-N 255.446 4.655 30 10 CJEE CC(C)(C)[C@@H](CS)COCC[C@@H]1CCCCC12CC2 2265003716 NVIFISBEZKVLAZ-LSDHHAIUSA-N 284.509 4.956 30 10 CJEE N#Cc1cc(Cl)ccc1NCC1CC2(CCCC2)C1 2265231218 PLDDTFHVRXOFIN-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE CC(C)[C@H]1CCC[C@@H]1C(=O)CC=CC#CC(C)(C)C 2268769142 ZYWKSDGYPCGAET-CVEARBPZSA-N 260.421 4.624 30 10 CJEE CC(C)(C)C#CC=CCC[C@@H](O)CC1CCCCC1 2268786894 RLCDNYWJDQISKF-QGZVFWFLSA-N 262.437 4.704 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCC2CC(F)C2)C1 2270147978 OKARDCPIFKBESU-WEIUDFCLSA-N 283.456 4.966 30 10 CJEE C=CC[C@H]1CCCCN1Cc1c(Cl)ccc(Cl)c1N 2271355956 TUQVLFLXEWUXDV-NSHDSACASA-N 299.245 4.506 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1CCC[C@H](CC)CC1 2271776060 GEDPRFRFWUFPHG-BBWFWOEESA-N 266.473 4.561 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(F)CC2(CCC2)C1 2271781221 NHAIUBFCMPFKNN-HNNXBMFYSA-N 267.432 4.773 30 10 CJEE C=C(C)CCCCNc1c(F)c(F)c(F)c(F)c1F 2271790727 HDRXOHGXKXYVIJ-UHFFFAOYSA-N 279.252 4.540 30 10 CJEE C=CCCC[C@H](CC1CC2(CC(F)C2)C1)NCCC 2272229389 SGSNHHKUTWPEIG-ONNPGMOUSA-N 267.432 4.629 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]1C)OCCN 2276053137 RGVPADCHMRNHMD-IXDOHACOSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@H]1CC)OCCN 2277342261 PPCAIOYUVWPDEP-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE C=CC[C@](C)(Nc1ccc2cccc(C)c2n1)C(F)F 2279588485 XRPCFUJLCDNOCY-INIZCTEOSA-N 276.330 4.555 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C[C@@H]1CCC1(C)C)NCC 2280981571 VEAIZRMMFKPIJJ-BBWFWOEESA-N 283.500 4.512 30 10 CJEE C=C([C@H](NCCC)c1cccc(Cl)c1OC)C(C)(C)C 2283150858 CKUGUCNWQKOBBA-HNNXBMFYSA-N 295.854 4.992 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1ccc(F)c(Cl)c1F 2284077643 VDWCKCAJYFOTEX-ZDUSSCGKSA-N 298.760 4.647 30 10 CJEE CCCCCCCC[C@@H](NC)c1cnc(C)n1C(F)F 2284864268 IOFHRLWQDBDPPC-CYBMUJFWSA-N 287.398 4.598 30 10 CJEE CCCCCCCCCOC[C@H](N)c1sc(C)nc1C 2285029532 WBVKDMYFSMWEQT-HNNXBMFYSA-N 298.496 4.527 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@H](C)c1ccccc1Cl 2287681419 KXSXYRXEAISHCL-PBHICJAKSA-N 295.854 4.728 30 10 CJEE CCCCCCCCCCNCCCc1ccncc1 2287741177 XXLUGLJNHJGTKP-UHFFFAOYSA-N 276.468 4.745 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)[C@H]1CC 2288852983 JACNXUZOSCONGH-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCCC1CCC([C@](C)(O)C#CC2CCCCC2)CC1 2289620701 WTMKTFOSIBTDSY-NKELODKYSA-N 276.464 4.928 30 10 CJEE C=CCCCC[C@]1(OCC(=O)O)CCC[C@@H](CC)CC1 2291464396 ZDGHDJDCESXSAO-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(C=C1CCC1)OCCC(=O)O 2291683660 IVYSYLHSAIPIPO-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@H]1C[C@@H]2CC[C@@H]2C1 2293648156 UDGSPKOIQADJFZ-MHORFTMASA-N 281.484 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1cccc(C)c1 2293840708 SMVWLSHUVOWNFN-GOSISDBHSA-N 277.452 4.762 30 10 CJEE C=CCCC[C@]1(OCCN)CCCC2(CCCCC2)C1 2293898362 KELUNQPDECWAOB-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCCN)CCCC(C)(C)CC1 2294274987 ICEWRHSSGDIGHG-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CCC[C@H]1F 2294322585 VRASBYMIKOEIMG-BBWFWOEESA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@H](OCCN)c1c(C)cccc1F 2294366271 GGJBPAMOEJWLQS-INIZCTEOSA-N 281.415 4.511 30 10 CJEE C=CCCCCCCN=c1ccc2cc(Cl)ccc2[nH]1 2294986517 KSKFNABUXXWJQR-UHFFFAOYSA-N 288.822 4.859 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC(CCN)CC1 2295533840 LFNXXVRTTGUEGA-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1COC[C@H]1C1CC1 2295692034 RPVXPLVKDWFJCX-SZMVWBNQSA-N 281.484 4.530 30 10 CJEE CSc1cccc(N[C@H](CCC(F)F)C(C)C)c1C#N 2296298239 IFMRHQQSBVPGKQ-GFCCVEGCSA-N 298.402 4.762 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1C=O 2298885185 KEIYETOZICXXBQ-UHFFFAOYSA-N 266.793 4.765 30 10 CJEE CC(C)CC(CC(C)C)OC[C@H](CS)C(C)C 2298923925 KKFWIVALFQDZMN-CQSZACIVSA-N 260.487 4.666 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CCC)CC[C@H]1NCC 2313653703 BXYNOZXEYQJQHE-ZJIFWQFVSA-N 269.498 4.631 30 10 CJEE Cc1c(Cl)ccc(NC[C@H](C#N)C2CCC2)c1Cl 2317850335 XYNHKFNWCOOUMC-NSHDSACASA-N 283.202 4.654 30 10 CJEE C[C@@H]1C[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCS1 2320320954 UQOYUJDTTARSIQ-CTASWTNQSA-N 265.466 4.874 30 10 CJEE CC1=C(C)C[C@@H](Nc2cccc(Cl)c2C#N)CC1 2320374085 DTQOHTGBDNLYJX-LBPRGKRZSA-N 260.768 4.512 30 10 CJEE CCCC[C@@](C#N)(CC)CC1(C(C)(C)OC)CC1 2320636383 BAQDFBLZPPBIMC-HNNXBMFYSA-N 251.414 4.692 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1CCC(C)(C)CC1 2321116518 JXLXMKBZABUWTP-NVXWUHKLSA-N 251.458 4.913 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCC2(C(F)(F)F)CC2)C1 2321544349 HOBALUODMLNRBP-NWDGAFQWSA-N 259.315 4.829 30 10 CJEE C#CCCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2325245514 OTDPELGUECZTBE-CQSZACIVSA-N 288.193 4.587 30 10 CJEE CN(CCCCCCCCCS)[C@H]1C[C@@H]2CC[C@H]1C2 2333355470 GNGNRRAUFAFOTM-IKGGRYGDSA-N 283.525 4.767 30 10 CJEE O=C[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCCC12CCC2 2334797917 KHEGMSFSTWRRIF-RYRKJORJSA-N 260.421 4.886 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(=O)O)c2ccccc12 2335192109 VDEGLAWXKGCUFF-LLVKDONJSA-N 272.369 4.595 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1cc2c(s1)CCCC2 2335207179 QLSRBOGUZTZMEK-CYBMUJFWSA-N 275.461 4.798 30 10 CJEE CCCCCCCCN(C)[C@H](CC)[C@@H]1CCCCO1 2337322942 CAPQTRZTHKEJLG-SJORKVTESA-N 269.473 4.626 30 10 CJEE C=CCC(CC=C)Oc1ccc(Cl)cc1[C@@H](C)NC 2338699107 LANBMPXJKCVRRR-GFCCVEGCSA-N 279.811 4.520 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2C[C@H]1CC21CC1 2339460235 BRXFYIIABIJUTA-GVDBMIGSSA-N 263.469 4.857 30 10 CJEE C#Cc1ccccc1N[C@@H]1C[C@H](C)Sc2sccc21 2339958692 GQAFYNSEDZRCPO-XHDPSFHLSA-N 285.437 4.767 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)O)c(C)c1C 2340849513 WTCGZPKUHYEZNN-OAHLLOKOSA-N 264.409 4.706 30 10 CJEE C=CCCCCCC[C@H](CCCCCOC)NCC 2341338584 XLKGAPSGBOIHRR-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=C(C)CC[C@H](N)[C@H](c1ccccc1)C1CCCC1 2342362389 QCCLLWYCVJINPW-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1COc1cc(Cl)ccc1C#N 2343154839 ZJYGOVYCVZVVLZ-TZMCWYRMSA-N 277.795 4.663 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)NCC 2344337414 QJJOYHCDARYDFH-DISONHOPSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc2cccc(C)c2o1 2344394808 GJTRPZZWNXTYSJ-KRWDZBQOSA-N 256.345 4.916 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C(=O)O)[C@@H]1CC1(C)C 2351989760 JHLZMNNEPDNXND-CJNGLKHVSA-N 282.449 4.520 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)C[C@@H]1CCOC1 2353220538 YVUILROQUPRCBY-IKGGRYGDSA-N 270.457 4.551 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358286875 WEODQMAUKYQAET-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@@H]1C)OCCCN 2360065302 VHQGFVDRZPNGRQ-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CC1CCC(CS[C@H](C)C[C@@](C)(C#N)NC(C)C)CC1 2360506526 MCJFASNPJOHALG-MYBQVCMBSA-N 296.524 4.605 30 10 CJEE Clc1cc(Cl)cc(/N=C/c2ccccc2)c1 572163 IFWNBYYOJPQPCS-CXUHLZMHSA-N 250.128 4.744 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccccc1)CC2 6646552 DVEHJPLAIGDHEH-FOWTUZBSSA-N 262.352 4.516 30 10 CJEE Cc1ccc(OCc2ccc(C#N)cc2)c(C(C)(C)C)c1 11834264 UFJLWGJPVPBWJW-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE CCC(CC)c1nc(-c2ccc(C#N)cc2)cs1 28334108 PFIZQXIMBIAIDU-UHFFFAOYSA-N 256.374 4.585 30 10 CJEE C=CC[n+]1c(/C=C\c2ccccc2)sc2ccccc21 33711898 OIFASNVXJJEHPV-SEYXRHQNSA-N 278.400 4.545 30 10 CJEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cc(F)ccc1F 36954425 KNJYIJXGHNMJAJ-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1ccc([C@@H](Nc2ccc(CC#N)cc2)C2CC2)cc1 37301877 AUHIHKWDLRJNNQ-LJQANCHMSA-N 276.383 4.624 30 10 CJEE N#Cc1ccc(Oc2ccc(F)cc2)cc1C(F)(F)F 37306471 MDABJAXNKVALSI-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CC[C@@H](C)C[C@@](C#N)(CC)Nc1ccc(Cl)cc1 37935971 JIRAUHIAFVXWHB-IUODEOHRSA-N 264.800 4.860 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccccc2F)c(C)c1 57686667 JRWQQSZILJZHKX-INIZCTEOSA-N 297.373 4.827 30 10 CJEE CCC(C#N)(CC)CCOc1ccccc1C(C)C 57714744 WBBWEVLQNMHLOU-UHFFFAOYSA-N 259.393 4.909 30 10 CJEE CCCCCCCCNc1ccc(-c2cc(O)n[nH]2)cc1 59447584 CZMPHHSDORLRMT-UHFFFAOYSA-N 287.407 4.555 30 10 CJEE CCCCCn1nc(C#N)cc1-c1ccc(C(C)C)cc1 76843610 LFMCFBDCILTAAT-UHFFFAOYSA-N 281.403 4.735 30 10 CJEE Cc1ccc(C)c(-c2cc(CC#N)c(C(C)C)o2)c1 77078805 KIASUJICHPSODY-UHFFFAOYSA-N 253.345 4.753 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)c2ccc(F)cc2Cl)cc1 78900395 HZFYUCWRRGLDJA-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CC(C)c1nc(-c2ccccc2Cl)sc1CC#N 82429676 UQJKYPDRQXMLQR-UHFFFAOYSA-N 276.792 4.653 30 10 CJEE C=C(CC)C[C@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547048 NGDXGIUGBJGGGY-NNCLKIPCSA-N 262.437 4.700 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C(F)(F)F)c1F 94601377 BLTOGEXCCIBPRR-CYBMUJFWSA-N 289.316 4.851 30 10 CJEE CCCCCCCNC[C@H](C)Oc1ccc(Cl)cc1 100027255 XEVHBMQZWQNBPK-AWEZNQCLSA-N 283.843 4.667 30 10 CJEE CCCCCCCCC#Cc1ccc(C(C)=O)cc1 100297418 KQXHXEWBSFNDDV-UHFFFAOYSA-N 256.389 4.991 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(Cl)cc1 100903065 CBCDOHHLAAAFIV-VWCPWKCOSA-N 274.791 4.749 30 10 CJEE CCCCCCCCCC[C@H](O)CC(F)(F)F 103932258 MZHCUEPONABJHA-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE CCCCCCCn1c(CS)nc2cc(F)ccc21 105500837 VCDKPFXLROCRGQ-UHFFFAOYSA-N 280.412 4.576 30 10 CJEE CCCCCCCCCC(=O)Cc1nc(C)cs1 108205127 HHHZCHVJVKPUCW-UHFFFAOYSA-N 267.438 4.704 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC)CC(CC)CC 110019121 TYBUDPHFWDHMEL-SFHVURJKSA-N 284.532 4.822 30 10 CJEE CCCCCCCCCCCCn1cc([C@@H](C)N)cn1 110267734 KRRRXZVDIGCEIU-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE CCCCCCCCOc1cncc(Br)c1 112353708 GJFOJRPOZUZDSI-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(F)cc1F 112899730 VCPCTNXDCYRXIU-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CCCCCCCCN1CCCCC[C@@H]1C1CCNCC1 114046763 VVQYBQOVWAKCDL-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCCN1CCNC[C@@H]1C1CCCCC1 114056759 XEKJDNLJZAJRHI-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1CCCO1 114994205 APOQVUIFTCDDKO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCN1C[C@@H](CC(C)C)NC[C@@]1(C)CC 115235964 MURPFURJFILTPA-RTBURBONSA-N 296.543 4.836 30 10 CJEE CCCCCCCn1cc(C[C@H](C)N)c2ccccc21 117595780 MGTSMQQRYGIKML-HNNXBMFYSA-N 272.436 4.501 30 10 CJEE CCCCCCCC[C@H](C(=O)O)c1ccccc1F 118661986 PZBWUEMSYNMDHA-AWEZNQCLSA-N 266.356 4.745 30 10 CJEE CCSc1cccc(N[C@H](C)Cc2ccccc2)c1C#N 136662183 UYSVKRYGPIABRH-CQSZACIVSA-N 296.439 4.713 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2cccc(SC)c2C#N)C1 136719257 HPHBXNBGIHYZAR-CHWSQXEVSA-N 275.417 4.628 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(C)nnc1CC 139514516 QUVKSEXFWLPTFE-GOSISDBHSA-N 291.483 4.749 30 10 CJEE N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1 140066266 IHDDUZSNZRAXFF-UHFFFAOYSA-N 268.319 4.655 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC 156216521 ZWRNJOQQQGISJP-BZUAXINKSA-N 251.458 4.641 30 10 CJEE Cc1cccc([C@@H](O)C2(C#N)CCCCCCC2)c1C 156809097 AVOAQBMCSXJTBR-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1c(C)cc(C)cc1C 158893667 PWGSIMOIAJFCRH-LJQANCHMSA-N 273.464 4.735 30 10 CJEE CCCCCCCCCCCC(=O)C1=CCCO1 160744166 HBUDBNHMGURCES-UHFFFAOYSA-N 252.398 4.781 30 10 CJEE CCCCCCCCC[C@H](NCCC)C1=CCCO1 160912012 QGUPMFRMXBPVDU-INIZCTEOSA-N 267.457 4.800 30 10 CJEE CCCCCCCCCC(=O)CC[C@H]1CCCO1 164696775 DWQZGOYEYQKLAT-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)ccc2F)CC1 165712451 YTEWWPHCAFTDDB-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H](CC)[C@H]2C)c1C#N 167601027 ZEOSTYZUOZORSL-UMVBOHGHSA-N 288.460 4.907 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC(C(C)(C)C)CC2)C1 222804014 HSLFTHRZBQZEIW-NUJGCVRESA-N 290.495 4.853 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CCCCC1(C)C 226887951 FYUXJSYWLVHZMI-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCC(=O)C[C@H]1CCOc2ccccc21 228635900 YNTVUCGXPFISDG-OAHLLOKOSA-N 274.404 4.872 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Cl)c2ncccc12 228822423 IOGNXHYMDKSBMA-NSHDSACASA-N 260.768 4.655 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(C)cc(C)n2)C1 229851690 FTOKCDKLJRWBJR-KFWWJZLASA-N 274.433 4.509 30 10 CJEE CCCCCCCCCCNC(=O)c1ccccc1S 232940461 WMRULWVRXIQPJJ-UHFFFAOYSA-N 293.476 4.846 30 10 CJEE CCCCCCCCC[C@H]1OCCC[C@H]1CNC1CC1 232949670 XVBSVBVOERXGTH-FUHWJXTLSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@@](C)(O)c1cncc(F)c1 232957596 RQKCZXIGAFVVOQ-QGZVFWFLSA-N 281.415 4.959 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1cc(C)ccn1 233164163 ZTBIABLMDFKHEE-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1C[C@H]1c1ccccc1 253053390 XBJOYUYNBCFLOK-KSZLIROESA-N 257.421 4.515 30 10 CJEE CC1(C)OB(/C=C/c2cc(Cl)cc(Cl)c2)OC1(C)C 306573110 BEAOJGMDDGCPQU-AATRIKPKSA-N 299.006 4.638 30 10 CJEE CCCCCCC[C@@H](C)NCCOC(C)(C)CC 308743356 QAYYNCNTRXSAIX-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@H]1CC[C@](C)(CC#N)O1 311175531 VVANVFFYVNVMPF-JKSUJKDBSA-N 251.414 4.978 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(CC)CCCC1 311845718 ODWVOWVNOLTUEI-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)CC1 313437879 OLSTTYDDWCLLOL-IAGOWNOFSA-N 270.420 4.769 30 10 CJEE CCCCCCCCCNCc1ccc(C)c(C)n1 313826033 MEBKFNFLUXZQIE-UHFFFAOYSA-N 262.441 4.539 30 10 CJEE N#C[C@]1(CC/C=C\c2ccccc2)C[C@H]2CC[C@H]1C2 323604660 QSKJHBGHNNLZEQ-LUKCBIIOSA-N 251.373 4.810 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](CC)C1CC1 324768807 YNBWTKMDFUQLJL-OAHLLOKOSA-N 271.514 4.623 30 10 CJEE Cc1cc(SC[C@H](CS)C(C)C)nc2ccccc12 381678689 ARNFNRZKSLHNOU-ZDUSSCGKSA-N 291.485 4.837 30 10 CJEE C=C(C)C[C@@H](NCC)c1cccc(OCc2ccccc2)c1 381783734 GJYJVZAZQRZSFE-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C[C@@H]1CCC[C@@H]([C@]2(C#N)CCCc3ccccc32)C1 381885705 ZDTRASBEZYVOCK-QGPMSJSTSA-N 253.389 4.611 30 10 CJEE C=C[C@@H](C)ON[C@@H](C)c1ccc(-c2ccccc2)cc1 400825101 KESPYPBXRIDNGC-CABCVRRESA-N 267.372 4.510 30 10 CJEE CC[C@H](COc1ccc(C#N)cc1Cl)CC(F)(F)F 402296870 MTQSBZLSPQPNQQ-VIFPVBQESA-N 291.700 4.569 30 10 CJEE N#CCc1cnc(Cl)c(-c2cccc(Cl)c2Cl)c1 514263903 YZSIAQGJODTHTC-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C 557384534 UOPUADLJQABLKT-HUUCEWRRSA-N 291.483 4.732 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)cc(C)c1 686691448 KZMKFUVEAXNFCG-LJQANCHMSA-N 271.448 4.928 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc(C(F)(F)F)c1 686696604 CSFAPFHIBASSMX-OAHLLOKOSA-N 283.337 4.550 30 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261.453 4.703 30 10 CJEE CN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2339570795 ZMVPIBFVOPKCNN-ABAIWWIYSA-N 296.241 4.612 30 10 CJEE CCCCCCCC[C@@](C)(CCSC)OCCCN 2340121175 VARZRMMQPSWPPW-INIZCTEOSA-N 289.529 4.614 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cc(F)ccc1C1CC1 2341688126 KMTZDZGZHNQJDK-QGZVFWFLSA-N 260.352 4.505 30 10 CJEE C=C(C)C[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2341926246 JYKLZZIFNZBFLF-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE C=C([C@H](C[C@@H]1CC[C@H]1C1CC1)NCCC)[Si](C)(C)C 2342282369 WKSAGIJVJKFQPA-ULQDDVLXSA-N 279.544 4.615 30 10 CJEE C=C(Cl)[C@H](O)CC[C@H](c1ccccc1)C1CCCC1 2342473253 RQYHLINWXORSCB-IAGOWNOFSA-N 278.823 4.854 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1ccc(Cl)c(C#N)c1 2343364043 VGKIFAOXFQQOOP-RISCZKNCSA-N 276.811 4.696 30 10 CJEE CCCCCC#CCN(C)C[C@H]1CCC(C)=C(C)C1 2343449556 ZUVMQXXMSQAYNG-SFHVURJKSA-N 261.453 4.638 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Cl)c(OC)c1 2344343787 FWRPAGVUUZAPAO-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)c(F)c(C)c1 2344347583 CPARSWCYPSPYES-SJORKVTESA-N 263.400 4.695 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC(=C2CC2)C1)NCC 2344349224 QWZZUXCMICQNCV-ROUUACIJSA-N 261.453 4.847 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]2C=C[C@H]1CC2)NC 2344350154 ZGXZNOVCQYBDBQ-JCECYMMASA-N 261.453 4.559 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc([C@@H](C)OC)cc1 2344381252 BLVZWNROXWVWND-CXAGYDPISA-N 260.377 4.569 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc2cc(F)ccc2o1 2344468733 QSVUUQDDMHQTKW-HOTGVXAUSA-N 262.324 4.598 30 10 CJEE C=CC[C@](C)(NCC[C@H]1CCC(C)(C)C1)C(F)(F)F 2344777378 LROAPGFFYHECAE-OCCSQVGLSA-N 277.374 4.690 30 10 CJEE CC(C)C[C@H](CS)CN(C)C[C@H]1CC[C@@H]1C(C)(C)C 2353846223 SXEQILIXNIUMAE-XHSDSOJGSA-N 285.541 4.583 30 10 CJEE C=CC1(C[C@@H](NC)c2cc(C)c(OC)c(Cl)c2)CCC1 2360219878 OEYBJECUWNUNIG-OAHLLOKOSA-N 293.838 4.664 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC(C)(C)C)nc1 2360370569 FSRAQHSLDRTRSW-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE C=CCC(CC=C)Sc1ncc(CNC(C)C)cc1C 2360370774 HHEQYBWSOOSRCG-UHFFFAOYSA-N 290.476 4.501 30 10 CJEE N#Cc1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1 35973676 YIIJLVBCKWWSIV-UHFFFAOYSA-N 289.574 4.642 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)cc1Br 37071965 KBWXQTDBVMDNQM-NSHDSACASA-N 295.224 4.701 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CC(C)(C)C1 37393201 KQZWRIOOMMZGKT-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE Cc1ccc(/C(Cl)=N/C(Cl)=C(Cl)Cl)cc1 40541876 OOODVXGWLKSZFG-DHDCSXOGSA-N 282.985 4.823 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccc(C)cc3[nH]2)C1 61440246 SMDYBYMOVTUTDJ-XJKCOSOUSA-N 299.443 4.682 30 10 CJEE Cc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)c(F)c1 62938248 GLBZOWXZNBPGRK-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE CC[C@@H](C)c1nc(C#N)cc2ccc(C(C)(C)C)cc12 77259025 FEJIUAVOPNTCAD-GFCCVEGCSA-N 266.388 4.917 30 10 CJEE C=CCCCSc1cccc([C@@H](C)NCCC)c1 84126823 NIOLTIQESYFIQD-CQSZACIVSA-N 263.450 4.806 30 10 CJEE Cc1cc(C)c(C[C@@]2(C#N)CCC[C@H](C)C2)c(C)c1 87930425 JCFMEBDEDMCULG-SCLBCKFNSA-N 255.405 4.874 30 10 CJEE CCCCCCCn1cc(CCCO)c2ccc(F)cc21 107043377 CHMWHTRLGCQUGT-UHFFFAOYSA-N 291.410 4.676 30 10 CJEE CCCCCCCCCn1nc(C)c([C@@H](N)CC)c1C 108042220 NMERZETYXRPXBV-INIZCTEOSA-N 279.472 4.660 30 10 CJEE CCCCCCC[C@](C)(C#N)N1CCCCCC1 109700138 QHCQYNSDUCCICX-MRXNPFEDSA-N 250.430 4.505 30 10 CJEE Cc1c(F)cc(C#N)cc1NCc1csc2ccccc12 109886325 SWDZRFJXNCYINO-UHFFFAOYSA-N 296.370 4.833 30 10 CJEE CCCCCCCCOC[C@@H](O)c1cc(C)ccc1C 110023448 ARDBDWTURVXNPI-GOSISDBHSA-N 278.436 4.714 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 110255422 NCDHHSRBFFLFNQ-NSHDSACASA-N 284.325 4.958 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCc2ccccc21 115051310 KTNKXCOIUQLGOK-MSOLQXFVSA-N 259.437 4.794 30 10 CJEE CCCCCCCC[C@@H](CO)Cc1ccccc1OC 116634955 JIXMNKLCAIKNKJ-MRXNPFEDSA-N 278.436 4.597 30 10 CJEE CCCCCCCC[C@@H](O)C(CC)(CC)N(CC)CC 118169510 DQMKHMFOXZYBSO-QGZVFWFLSA-N 285.516 4.999 30 10 CJEE C#CCCC[C@H](NCCC)c1c(Cl)cccc1Cl 122845646 LKHHGKIEKFPUTR-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE CCCCc1ccc(Oc2ccc(C#N)cc2F)cc1 126282342 LDEKKWASFGEWDZ-UHFFFAOYSA-N 269.319 4.832 30 10 CJEE N#CC1(Nc2cccc(F)c2)CCC2(CCCC2)CC1 129610043 KZLIZJPHWBOBPQ-UHFFFAOYSA-N 272.367 4.634 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 131450007 IDWPEFSNCFLHMA-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCC[C@H](N)C(C)(C)OCC 132277780 KWKMXKRGPSBCEG-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@@H](O)c1cn(C)nc1C(C)(C)C 158542813 QJZGCQZJMDAYQT-MRXNPFEDSA-N 294.483 4.892 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](CCC)OCC 159786006 MKRYUPOUYQHZEN-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCCNCc1coc2ccccc12 160778306 AYTIXOFVNSGUER-UHFFFAOYSA-N 259.393 4.883 30 10 CJEE CCCCCCC[C@H](NC)C(CC)(CC)OCC 164257865 AYZUUGAEYJFSTI-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(Br)cc1C 167674357 TZFRGNPYQFDQNE-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(C#N)Nc1ccccc1Cl 214687032 YJYBRNZTPTVAKM-XJKSGUPXSA-N 276.811 4.860 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2)ccc1C#N 218480387 RACDVGWKEJUBOP-WMLDXEAASA-N 291.398 4.611 30 10 CJEE C#CCCC[C@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229286455 YAMMALQYQNXZNK-YUUDKIHESA-N 287.491 4.765 30 10 CJEE CC(C)[C@@H](C)Sc1ccc(C(F)(F)F)cc1C#N 232816821 JNVIRTDREXXYGY-SECBINFHSA-N 273.323 4.714 30 10 CJEE CCCCCCCCCc1nc(C)n(C(C)C)c1N 232958972 RXBHRHYCPOAYHF-UHFFFAOYSA-N 265.445 4.648 30 10 CJEE CCCCCCCCC[C@@H](CO)NC1CCCCCC1 232971981 HKPDXCQGWFBAHS-SFHVURJKSA-N 283.500 4.800 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCC[C@H]2CC)C1 252864784 QDEJNAUQPCKODR-TVFCKZIOSA-N 276.468 4.750 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCO[C@H]1CC 300594373 GKZYJLRJICKRDK-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCC1CCC(C(=O)CC#CC(C)(C)C)CC1 302296964 YSJWFWZXBLDZEQ-UHFFFAOYSA-N 262.437 4.992 30 10 CJEE C[C@H]1CCCC[C@]1(C)Nc1cc(Cl)ccc1C#N 308727383 NCJJNBZZMONHSW-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE CCCC1CCC([C@@H](CC#CC(C)(C)C)NC)CC1 311350278 VKWCMBBRJXRDJQ-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cn[nH]c1 311757870 USZZSHURSZLZNW-INIZCTEOSA-N 265.445 4.721 30 10 CJEE CC(C)C[C@@H](C)COc1ccc(C#N)cc1C(F)(F)F 312169301 LFVZWJDEJQEDJH-LLVKDONJSA-N 285.309 4.638 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@@]1(C#N)CCC[C@H](C)C1 312241398 GVDWRCGKRAYONS-BONVTDFDSA-N 292.766 4.528 30 10 CJEE Cc1cccc(C#N)c1N1CC[C@H](C)c2ccccc21 312355643 JFVCMWZJNXLADD-ZDUSSCGKSA-N 262.356 4.512 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1C1(C#N)CCCCCC1 312602218 NGWRHIBADMEIGV-UHFFFAOYSA-N 292.766 4.672 30 10 CJEE CCCCCCCCOC[C@H]1CCc2ccccc2N1 313090160 XXZVOUSQGLBMGG-QGZVFWFLSA-N 275.436 4.790 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCc1ccc(Cl)cc1 316989441 MQUQWMJBTHOFEQ-BBRMVZONSA-N 264.796 4.668 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCCC(F)(F)C2)CC1 317875963 MBLKYNXKELNJTJ-ZDUSSCGKSA-N 272.379 4.988 30 10 CJEE C=C(CC)C[C@]1(CNC(C)(C)C)CCC[C@@H](C)C1 317911833 ISSQMLMEHOTKHE-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H](C)[C@H](C)CC 319572440 HLADSTAEDPPCBL-PMPSAXMXSA-N 256.478 4.641 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384431229 RQUAFKKMBBSDAR-KPFFTGBYSA-N 296.458 4.760 30 10 CJEE C=CCOc1ccccc1CNc1ccsc1Cl 395718228 MPJGVFBJPDWCMT-UHFFFAOYSA-N 279.792 4.578 30 10 CJEE CSCC(C)(C)COCC1(CS)CCCCCC1 395962386 JFOSCVDZADWVTK-UHFFFAOYSA-N 290.538 4.663 30 10 CJEE CCCCCCCCCCCCSC1=NC[C@H](C)N1 396034592 OHLXIJGSNJPEPV-HNNXBMFYSA-N 284.513 4.988 30 10 CJEE N#CCc1cc2sccc2c(C(F)F)c1Cl 396186914 HCXIGAGIVLIIAB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CC(C)(C#N)CCSCc1ccccc1C1CC1 466470210 GNUFNKNMABLICC-UHFFFAOYSA-N 259.418 4.737 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@@H]1c1ccc(C#N)cc1 616595933 STBVLQVTGIJZOA-LJQANCHMSA-N 290.410 4.851 30 10 CJEE C#CCCCCC[C@@](C)(CNCCC)c1ccccc1 686703026 TYSXYNXKOCZGAN-IBGZPJMESA-N 271.448 4.528 30 10 CJEE CCC[C@@H](C)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316009 PLPHAGNAGPPLMA-ZIAGYGMSSA-N 265.441 4.530 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H](CC)CC(F)F 688708505 KATNVDRWBWTCOD-IUODEOHRSA-N 261.400 4.638 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](C)Oc1ccccc1 700708164 JCBFROPZKKWTPC-SJLPKXTDSA-N 277.452 4.922 30 10 CJEE C=CC(C)(C)CCNCc1ccc(Cl)c(Cl)c1 701911762 SBPXNNQRQZFWOJ-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CCCCCCCCC[C@@]1(CNCCOC)CC1(C)C 702102986 RQULELKVNPNWNG-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CCCCCCCCC[C@@H](NCCC)C1CC(OC)C1 703488798 RVJBVXWRIMIYMK-DAWZGUTISA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@]1(N)CCCN(C(C)C)CC1 707492030 PLXBGCJTHYUSTN-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1Cl 709247284 ICUWYFMRWKGTCM-BBRMVZONSA-N 276.811 4.787 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@H]2CN[C@@H](C2)C1 709465553 AHANXOXKZWHOSI-HRCADAONSA-N 255.421 4.607 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(SC(F)F)cc1 709667111 MZLZQNAXSWBFHE-RISCZKNCSA-N 296.386 4.886 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc(F)c2ccccc12 710593925 YUCPJTRVLWBZGJ-MRXNPFEDSA-N 277.770 4.772 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCC[C@@H](CC)C1 710631529 CVWRHSORYHUXJX-HZPDHXFCSA-N 271.876 4.961 30 10 CJEE C=C(CC)C[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 712544480 NYICEWXYCYYRDM-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C=C1CCC(CNC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 724440988 PCKVDQKOKIRJDA-LSDHHAIUSA-N 289.385 4.691 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](CC)CC[C@H]2C(=O)O)CC1 724598591 IIADBHCDFJUFLI-CWRNSKLLSA-N 264.409 4.650 30 10 CJEE C=C1CCC(C[C@H]2CCCC[C@@H]2CNCCC)CC1 724615814 HVXAATKHZZZFJP-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE C=CCCC[C@@H](NCc1nccn1C(C)C)c1ccccc1 880388548 LXSGARWFVTXZPU-GOSISDBHSA-N 297.446 4.651 30 10 CJEE C=CCCC(=O)N[C@@H](c1ccc([C@H](C)CC)cc1)C(C)C 1124570289 YKWBXENZHYDILO-DNVCBOLYSA-N 287.447 4.980 30 10 CJEE C=C1CCN(Cc2ccc(C3CCCCC3)cc2)CC1 1167330109 UVDCVVIXCXCCJT-UHFFFAOYSA-N 269.432 4.886 30 10 CJEE C=CC[C@@H]1CCCN(Cc2c(Cl)cccc2CC)C1 1182796756 YSJXEQSLJLWFLJ-CQSZACIVSA-N 277.839 4.691 30 10 CJEE C=CCCCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 1192575650 WBIDUEZXVAGMGT-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE CCCCCCCCN1CCC[C@H]1c1ccccn1 1201826156 ONKFDOPECWKVCD-KRWDZBQOSA-N 260.425 4.579 30 10 CJEE N#Cc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)n1 1235908769 KHXAFBKEIZRQOM-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H](CCC)C(C)C)CCCC1(C)C 1270800999 IPJLQOLVTIFXMC-HZPDHXFCSA-N 279.468 4.652 30 10 CJEE C=CCn1cc2ccc(NC[C@H]3C(C)=CCC[C@H]3C)cc2n1 1308531920 NXECVXTZYBUMRE-QAPCUYQASA-N 295.430 4.627 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc(Cl)cc1OC 1308710528 NVYGGBTXTYHTBD-GFCCVEGCSA-N 267.800 4.895 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)C1CCC(C(C)(C)C)CC1 1355564705 BPLBNRINFPNHPG-JTTJXQCZSA-N 279.468 4.652 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C(\CC)c1ccc(C)cc1 1360624736 WCFHEFXGVACQQX-FBMGVBCBSA-N 299.458 4.993 30 10 CJEE C#CCCCCCCN1CCCc2cc(Cl)cc(C)c21 1459702788 ZQEBSDHYJYMCLU-UHFFFAOYSA-N 289.850 4.985 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1cc(C)ccc1C 1459784745 IVQUQIOXVCCZBJ-UHFFFAOYSA-N 293.410 4.522 30 10 CJEE C=CCCCN(CC)C/C(C)=C\c1ccccc1COC 1462631604 AHZVDUIXUUZIOB-VKAVYKQESA-N 287.447 4.524 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 1474208160 UFMPSKVQFBMGJC-VJANTYMQSA-N 269.432 4.515 30 10 CJEE C=CCC[C@H](CC)NCc1ccc(Cl)cc1OC(C)C 1474687128 GNTRZGWFRDOECK-INIZCTEOSA-N 295.854 4.962 30 10 CJEE C=CCC1(C(=O)O[C@@H]2CCC[C@H](C)[C@@H]2C)CCCCC1 1521314638 ZHUOLRMWASKVMA-HRCADAONSA-N 278.436 4.881 30 10 CJEE C=CC(C)(C)CNC(=O)[C@H](CCC)c1cccc(Cl)c1 1521351484 GYFVTSSTSZMLPG-OAHLLOKOSA-N 293.838 4.552 30 10 CJEE C=C1CCC(C(=O)OCc2cc3ccccc3s2)CC1 1526673761 ZEFQEZCLVFEQBX-UHFFFAOYSA-N 286.396 4.691 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H](C)CCC(C)(C)C 1530308508 BBCNDRQIBJZMJY-HNNXBMFYSA-N 267.457 4.654 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H](C)CC(C)C)c1ccccc1 1536426577 RSUVJAHQUPPFRX-AEFFLSMTSA-N 287.447 4.677 30 10 CJEE C=CCC1(NC(=O)C/C=C/c2ccc(C)cc2)CCCCC1 1543288797 QPGNCCLHLCEMIH-BQYQJAHWSA-N 297.442 4.794 30 10 CJEE C=CCCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 1559681710 OOPBMQBRTCECQH-AWEZNQCLSA-N 271.326 4.568 30 10 CJEE C=CCCC1(CNCc2nc(C(C)(C)C)co2)CCCC1 1560532029 SQEVSBYYASEVHI-UHFFFAOYSA-N 290.451 4.588 30 10 CJEE C=CCCCN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1560804235 WLLVSQLWBZNQOK-HOTGVXAUSA-N 297.364 4.897 30 10 CJEE C=C[C@@H](OC(=O)c1cc(C)c(CC)s1)c1ccccc1 1586194706 NYFXIPOTUQDCAP-CQSZACIVSA-N 286.396 4.703 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc2c(C)cc(C)cc2[nH]1 1586903252 KJNBEXLMBNBBJG-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE Fc1cccc(F)c1C#Cc1cccc(Cl)c1Cl 1614826030 GPCLMLYABVPFEL-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCCC(C)(C)CNCc1cscc1C(F)(F)F 1621028943 XMRLMOYQUVVAFQ-UHFFFAOYSA-N 291.382 4.849 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OCC(F)(F)F)c(F)c1 1621279787 GPESOQQCKYPENU-SNVBAGLBSA-N 291.288 4.533 30 10 CJEE C=CCC[C@@H](CCC)NCC(F)(F)c1ccccc1 1621374378 VSEXWTQWVRJNEP-OAHLLOKOSA-N 267.363 4.503 30 10 CJEE C=C1CCC(CNC2CC(c3cc(F)cc(F)c3)C2)CC1 1621518125 XICNZTGUSJHNDJ-UHFFFAOYSA-N 291.385 4.547 30 10 CJEE C=CCC[C@H](C(=O)Nc1ccsc1C)c1ccccc1 1624172988 AJKAQWASUDPACY-HNNXBMFYSA-N 285.412 4.745 30 10 CJEE C=CCN(CCc1ccccc1)[C@H](C)c1cccc(F)c1 1653271883 SLZDGHMPMQUABR-MRXNPFEDSA-N 283.390 4.617 30 10 CJEE C=CC[C@H](C)Sc1cccc(Br)c1 1656269034 GAJCZTBZTKJHIV-VIFPVBQESA-N 257.196 4.506 30 10 CJEE C=C(CC)CNCC1CCC(c2ccccc2)CC1 1658347014 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CCCNC[C@]1(CC#CC(C)(C)C)CC[C@H](CC)C1 318455971 QIAMYZCVVXFICE-FUHWJXTLSA-N 263.469 4.622 30 10 CJEE Nc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 322304394 JFCXQNLIZUSWRK-NVNXTCNLSA-N 299.373 4.832 30 10 CJEE C=C(CS)CSc1ccc(Cl)cc1Cl 322583152 DJJPCHNWBWVJEI-UHFFFAOYSA-N 265.230 4.572 30 10 CJEE CCCCCCCCCC[C@@H](N)C(C)(C)SC 327851611 GIDDXKODURUPOD-CQSZACIVSA-N 259.503 4.986 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 381853769 YILXBIUUMVYZNM-SJORKVTESA-N 295.426 4.881 30 10 CJEE CCCCCCC[C@]1(C)CC[C@H](CNCC(C)C)O1 382198731 LREDUJZKXLXCPR-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc2ccccc2c1 384879461 TZZMOBCAKWSHIF-CQSZACIVSA-N 253.389 4.703 30 10 CJEE N#CCCCCCSc1ccc(O)c2ccccc12 385261625 VITYPRBPFNHZSB-UHFFFAOYSA-N 271.385 4.721 30 10 CJEE CCC(CC)(CC)[C@@H](O)C1(C#N)CCC(C)(C)CC1 395146883 BRTYOQHNCWSWBK-CQSZACIVSA-N 265.441 4.674 30 10 CJEE CC1(C)CC(NC[C@H](C#N)C2CCCC2)CC(C)(C)C1 397297129 KNOQZJCWDLHYDT-HNNXBMFYSA-N 276.468 4.511 30 10 CJEE C=CCCC[C@@H](C)NCc1c[nH]c2cc(Cl)ccc12 398190115 REIDCKQZSYRJJP-GFCCVEGCSA-N 276.811 4.656 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@@H]2CCCC[C@H]2CC)CC1 401965446 SXWHWRIIWLOLMD-YZMJHREJSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H](O)CCc1c(F)cccc1F 402000005 DJYQJXGUWVIMPU-CYBMUJFWSA-N 270.363 4.619 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](C)OCc1ccccc1 404468427 YEXTZSFNPZAGBB-AEFFLSMTSA-N 277.452 4.540 30 10 CJEE CCCCCCCCCN1Cc2cccc(C#N)c2C1 405089792 LXVJOMGJGCAFEN-UHFFFAOYSA-N 270.420 4.624 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H](NCCC)CO[C@H]1C 405821283 KHLLYOZZGIABQO-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE COc1ccc(Cl)cc1C#Cc1ccc(F)c(Cl)c1 587915731 UGLFZTDVQLHHFB-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(Cl)ccc1OC 686693283 MAXRONMNJWRFPL-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(Cl)c1F 686694517 ZXXRTSHNUZBDOE-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE CCCC[C@H](CCC)/N=C1/NC2(CCCC2)CCS1 687318975 OTZKOMGASKJAMO-AWEZNQCLSA-N 282.497 4.741 30 10 CJEE Cc1cccc(C#N)c1NCc1ccc(Cl)c(Cl)c1 689225376 UBDMIWRXXXPUPM-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc(SC(F)F)c1 690185292 QIGCUIYYCJHXQH-SMDDNHRTSA-N 296.386 4.886 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1ccc(C)cc1 691072721 CUZIRFOGLYFRBT-WBVHZDCISA-N 256.393 4.660 30 10 CJEE CCCCCCC[C@H](O)CC(C)(C)CC(F)F 693988468 VNJFASLVLFCRRK-LBPRGKRZSA-N 250.373 4.779 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)C[C@H](C)CC 696066901 WBAHIZSBHRFEJU-ZACQAIPSSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(N)c1F 696680648 RHKSUEIWGWPCAB-OAHLLOKOSA-N 267.388 4.582 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(OCC)cc3)C[C@@H](C1)C2 700387445 ZKEHZLOIUHSZOX-FKEKPDDDSA-N 271.404 4.632 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](N)C(C)(C)C 702408534 ODUJRUNODCURKG-HZPDHXFCSA-N 271.489 4.642 30 10 CJEE CCOC(C)(C)CC1(C=O)CCC(C(C)(C)C)CC1 702694960 NIIOVWOVBYPVGE-UHFFFAOYSA-N 268.441 4.613 30 10 CJEE CCSc1cccc(OC[C@@H]2C[C@H]2C(C)(C)C)c1C#N 703613716 SIEAWBDYICGUPE-GXTWGEPZSA-N 289.444 4.731 30 10 CJEE CCCCCCCCNC1CCC(OC(C)C)CC1 703787111 KDQBVXHPOBBANT-UHFFFAOYSA-N 269.473 4.673 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(OCC)cc1 703995452 HSGWAPOLAVCKNR-HNNXBMFYSA-N 275.436 4.728 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cn(C)c(C)n1 706277377 VMRYKXRIKPSCNK-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE CCCCCCCCC[C@]1(F)C[C@H]2CC[C@@H](N2)[C@@H]1C 709335401 ULHRJVVGMBYORK-HZMVEIRTSA-N 269.448 4.996 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)sc1C 709376434 KCEMGXCOYLWFJJ-GDBMZVCRSA-N 263.450 4.589 30 10 CJEE C=C([C@H](NCCC)c1cscc1Cl)C(F)(F)F 711528920 PRIOHCGYTLJANH-JTQLQIEISA-N 283.746 4.561 30 10 CJEE C=CCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)NCCC 712938745 DTSGCUVVCRCCRX-KSZLIROESA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H](O)C(C)(C)c1ccncc1 714343074 LVQDWHSYDMEWCW-QGZVFWFLSA-N 277.452 4.861 30 10 CJEE O=C(c1ccccc1)[C@@H]1CCCC/C1=N/Cc1ccccc1 714394389 OSZLFPYOGNOYNM-IDYLYPCZSA-N 291.394 4.701 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1Cl 715010284 MZPADYQMSHMBJC-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE C=CCC[C@@H](NCCC)c1cscc1C(F)F 717245949 YDRJKMZDXDKRIW-GFCCVEGCSA-N 259.365 4.693 30 10 CJEE Cc1nc(N[C@@H]2CCCCCC2(C)C)c(Cl)cc1C#N 718954680 JGRANLSEEYASNV-CQSZACIVSA-N 291.826 4.686 30 10 CJEE CCCCCCC[C@H](O)C[C@H](C)COCc1ccccc1 719466290 PBJPPLUMVFGSSB-HKUYNNGSSA-N 292.463 4.951 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 721399117 UZQTVVWVBPWXIK-XJFOESAGSA-N 289.341 4.597 30 10 CJEE CCCCCCCCCN[C@H](C1CC1)[C@H]1CCCOC1 723986111 HSPMAFHKSRUJPW-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@H](C)NCC1C[C@H](C)O[C@@H](C)C1 724257119 DFLVFHWRDABNPN-JYJNAYRXSA-N 269.473 4.529 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(F)c(Cl)c2)CC1 724447213 RQFAIAFLZCCOBB-GFCCVEGCSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@H](CC)C2)CC1 724590602 YKVPOXDOSMSJGC-JQHSSLGASA-N 263.469 4.927 30 10 CJEE C=C1CCC(CNc2ccc(OCC3CC3)cc2)CC1 724591701 AXNNYLUHKYVTIQ-UHFFFAOYSA-N 271.404 4.634 30 10 CJEE Cc1ccc(N=C2N[C@H](C3CCCC3)CCS2)c(C)c1 725072649 VHCWVBGBFCGLCF-INIZCTEOSA-N 288.460 4.576 30 10 CJEE C=CCC1(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)CCCC1 1126162870 JVUMZWSBOSRAFK-FUHWJXTLSA-N 297.442 4.528 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 1130934328 KEBNCQIFSMTBBK-OAHLLOKOSA-N 290.721 4.563 30 10 CJEE CCCCCCCN(C)[C@H](C)Cc1ccc(OC)cc1 1167290748 CREOLTCPBUDMKF-MRXNPFEDSA-N 277.452 4.528 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)[C@H](C)CC 1180423267 WLPVJDCTKVJEEL-GOSISDBHSA-N 271.448 4.871 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc2sncc2c1 1216128263 NMKJZWLOKRUKOB-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE N#CCc1ccncc1-c1cc(Cl)c(Cl)cc1Cl 1242785935 WWHCGRJYBGKMBT-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C(C)C)c3ccccc32)CCC1 1271186657 KGIKRNUPWSMPOH-MRXNPFEDSA-N 283.415 4.519 30 10 CJEE C#Cc1cccc(N[C@@H](CCC)CCc2ccccc2)c1 1308668893 GSWIABQEVNPXCJ-IBGZPJMESA-N 277.411 4.881 30 10 CJEE C=CC1CCN(C(=O)Nc2cccc([C@@H](C)CC)c2)CC1 1311016373 MOORWUJQWYTOBN-AWEZNQCLSA-N 286.419 4.630 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCCC[C@H]1CC(C)C 1360815097 QYEHHXABTIRBPI-KRWDZBQOSA-N 277.452 4.572 30 10 CJEE C=CCCC(=O)Oc1cccc(C2CCCCC2)c1 1437775177 AVLXPCKSOCMTDA-UHFFFAOYSA-N 258.361 4.606 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C[C@H](CC)c1ccccc1 1439850467 XKOXYMZHGBJPEE-FUHWJXTLSA-N 285.431 4.528 30 10 CJEE C=C(C)CCC(=O)N[C@H](CC1CCCC1)c1ccccc1 1458163218 LLIBZYWPYZQLIE-GOSISDBHSA-N 285.431 4.781 30 10 CJEE C=CC[C@@H](C)N(CC)Cc1ccc2ccccc2c1 1459349150 LDHNAXIBBYTTKW-OAHLLOKOSA-N 253.389 4.626 30 10 CJEE C=CCC(CC=C)C(=O)N(CC1CC1)c1ccc(C)cc1 1462773911 NGUHPLVZMBNQLC-UHFFFAOYSA-N 283.415 4.506 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)N(CC)CC(CC)CC 1470788189 ZBKIJDWOTUXGBF-DLBZAZTESA-N 294.483 4.589 30 10 CJEE C=CC[C@@H](C(=O)N(C)c1cc(C)cc(C)c1)c1ccccc1 1526281946 YKERWEQEIIESSB-LJQANCHMSA-N 293.410 4.626 30 10 CJEE C=C[C@@H](CC(=O)N1[C@@H](C)CCC[C@H]1CC)c1ccccc1 1533120605 HTXGTAJEHQOART-XYJFISCASA-N 285.431 4.526 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1c(C)ccc2ccccc12 1533468069 GONBGFRRUGFFHY-CQSZACIVSA-N 268.356 4.656 30 10 CJEE C=CCCC(=O)N1CCCc2cc(-c3ccccc3)ccc21 1533698216 NVCORDOUVLSMGV-UHFFFAOYSA-N 291.394 4.599 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(C)c2ccccc12 1536777923 JJNXIODDCRAUAM-HNNXBMFYSA-N 281.399 4.623 30 10 CJEE CO[C@H](CSc1c(C)cccc1C#N)C1CCCCC1 1559459063 GWDIFSCZNNJVSO-MRXNPFEDSA-N 289.444 4.554 30 10 CJEE C=CCC[C@H](CCC)NCc1csc(C(F)(F)F)c1 1560957393 FTRVHVODUBDIIN-LBPRGKRZSA-N 291.382 4.991 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)CCC(C)(C)C 1586139572 GFXKJJKSKLIKOW-XHSDSOJGSA-N 279.468 4.700 30 10 CJEE C=CCC[C@H](C(=O)NCC[C@H]1CC=CCC1)c1ccccc1 1588191669 GUFLTGIYZYXEKB-HKUYNNGSSA-N 297.442 4.599 30 10 CJEE C=CCC1(C(=O)N(C)CCc2ccccc2C)CCCCC1 1595308417 SNWBMAKXDCQNMN-UHFFFAOYSA-N 299.458 4.523 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccccc1 1596613738 ZZMTUQBSXRBFNA-IYWMXMBCSA-N 297.442 4.947 30 10 CJEE C#Cc1cccc(N(C)CCSc2ccc(C)c(C)c2)c1 1615451509 XTUCVMBAXRLXSJ-UHFFFAOYSA-N 295.451 4.513 30 10 CJEE C#Cc1ccc(NC(=O)c2ccccc2C(C)(C)CC)cc1 1616908501 ROEWWZRGJKHSOL-UHFFFAOYSA-N 291.394 4.608 30 10 CJEE C=CCCC[C@H](NCc1cccs1)c1ccccc1 1621048459 LUVJCRQPACDODE-KRWDZBQOSA-N 271.429 4.935 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CCC[C@H](CC)C1 1621175081 PPYRQFKNCBXXDH-DLBZAZTESA-N 251.458 4.881 30 10 CJEE C=CCC(C)(C)CN[C@H](C)CCC1CCCCC1 1621355442 XYEVICKAWHNSSO-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC[C@@H](C)CC1)c1ccccc1 1627212458 IFSDGFQJEOOQIC-IEBWSBKVSA-N 299.458 4.775 30 10 CJEE C=CC[C@H]1N(CCCCC(F)(F)F)CCCC1(C)C 1645454041 YEAMLTJHLXMYOG-CYBMUJFWSA-N 277.374 4.786 30 10 CJEE C#C[C@H](N[C@@H](C)CC12CC3CC(CC(C3)C1)C2)C(C)(C)C 1652577378 WJHOYDQQPLQAAC-HYLHYLHVSA-N 287.491 4.619 30 10 CJEE C#CCCCCCCNc1ccc2ccnc(Cl)c2c1 1652695666 HZBDCFVHRYXWSF-UHFFFAOYSA-N 286.806 4.884 30 10 CJEE C=CCC[C@H]1CCCN1CCSc1cccc(Cl)c1 1654999119 PVNUJPZYFZCUGG-HNNXBMFYSA-N 295.879 4.863 30 10 CJEE C=CCCCCCCN[C@H](C)Cc1ccc(C)cc1 1659750051 UDNQYXUXOPAVTP-QGZVFWFLSA-N 259.437 4.652 30 10 CJEE C=CCCCCC[C@@H](C)NCC[C@@H]1CCC(C)(C)CO1 1660096294 FREINGPNGPFDNR-SJORKVTESA-N 281.484 4.696 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H](CC(C)C)C2)cc1 1660864196 LCRYSUIZBHHMBA-AEFFLSMTSA-N 255.405 4.685 30 10 CJEE C=CCCCCCCNC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 1677203587 WLCMBWAXVWZGRG-SJORKVTESA-N 294.483 4.637 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCCCCCCC 1682386710 VSJXKJOBFFWHRG-CALCHBBNSA-N 292.467 4.630 30 10 CJEE SCC1(COCC2CC3(CCC3)C2)CCCCCC1 1877093851 SNFNMSJQKUGWJK-UHFFFAOYSA-N 282.493 4.854 30 10 CJEE CCCCC[C@H](CC)NC[C@@H](C#N)C1CCCCC1 1879155306 QVRCOVGYNNSATQ-SJORKVTESA-N 264.457 4.655 30 10 CJEE CC#CCCC[C@H](NCC)[C@@]12CCCC[C@@H]1CCC2 1879646657 HKKOSEMSUGRPKG-FGTMMUONSA-N 261.453 4.519 30 10 CJEE C=CCCCCCN(C)CC1CC2(C1)CC(C)(C)C2 1884236262 YVVXKFTXMRIUJV-UHFFFAOYSA-N 263.469 4.881 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1CCC[C@H](C)C1 1885238110 UXDOZZPEKGMNOX-KSZLIROESA-N 263.469 4.765 30 10 CJEE C=C1CCC(C[C@@]2(O)CCC(F)(F)CC2(C)C)CC1 1886359219 IQNWGQCRDZRLMP-HNNXBMFYSA-N 272.379 4.699 30 10 CJEE C[Si](C)(C)C#CCN(Cc1ccccc1)CC1CCCC1 1887111512 IJXUISBSSCEZOU-UHFFFAOYSA-N 299.534 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275.436 4.572 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC12CCC2 1921594959 KMIYFVUUDCZYKK-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE C=C(COCc1ccccc1)C[C@H](CCCC)NCCC 1922067740 DJPKOTNVKDZFGS-IBGZPJMESA-N 289.463 4.708 30 10 CJEE N#Cc1c(Cl)cccc1NC1C[C@H]2CCC[C@H](C1)C2 1923487266 UDEYLEMOCSZFAI-RYUDHWBXSA-N 274.795 4.592 30 10 CJEE C=CCCCCCCNc1ccc([N+](=O)[O-])c(Cl)c1 1927688226 AJTPKHRQBLUDRO-UHFFFAOYSA-N 282.771 4.797 30 10 CJEE C=C(C)CC[C@H](C)NCc1ccc(Br)cc1C 1947398457 SNNAOJKYOSCJEO-ZDUSSCGKSA-N 296.252 4.592 30 10 CJEE CCCCCCCN(C)[C@@H]1CC[C@@H]1OCc1ccccc1 1956947305 OGIVRJRRYPRDIX-MOPGFXCFSA-N 289.463 4.636 30 10 CJEE C=CC(C)(C)CCNCc1ccccc1C(C)(C)C 1964078418 XDRHTXCGNJBIFW-UHFFFAOYSA-N 259.437 4.676 30 10 CJEE Cc1ccccc1C[C@@H](C)Nc1cccc(Cl)c1C#N 1969096745 NMLZJDKQIDVLKT-CYBMUJFWSA-N 284.790 4.563 30 10 CJEE CCC1(C#N)CCN(Cc2c(Cl)cccc2Cl)CC1 1970488384 YZRGTMIEIWMYRF-UHFFFAOYSA-N 297.229 4.509 30 10 CJEE C=CCCCCCC[C@@H](O)c1coc(Br)c1 1995168541 FGBRLQTXGSHDHO-GFCCVEGCSA-N 287.197 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10 CJEE C=CCCCCCCC[C@H](NCCC)C(C)(C)N(C)C 2235514409 UCHGUBPQVDIGIW-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCC[C@]1(C(=O)O)CCCCCC1=O 2235519069 MOESQDWJTVWWDH-KRWDZBQOSA-N 280.408 4.507 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1c(C)cccc1C 2235523017 AKHYGEGAYSQIKG-QGZVFWFLSA-N 274.452 4.725 30 10 CJEE C=CCCCCCCC[C@H](O)C1(N(C)C)CCCCC1 2235523353 FAKHDPXYDUFZPL-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1snnc1CC 2235527520 WEQWVZIWPPPLAP-OAHLLOKOSA-N 295.496 4.668 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@@H](C(C)C)C1 2235536832 YNNQWWNEEHCBSL-AEFFLSMTSA-N 280.452 4.659 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H](NCC)[C@@H]1CC 2239461752 GPYXWKSUAOAGNY-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@@H](c1ccccc1)[C@@H](C)N 2239483225 QMIGJANYAZLWAD-SJLPKXTDSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCCO[C@H]1CCN[C@H](C(F)F)C1 2239509792 HYIFGWOQWXXLDO-GJZGRUSLSA-N 291.426 4.529 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)c1cccc2ccsc12 2239560057 XHBJCQPCAXXSAE-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCCCCCC1(CN[C@H](C)CC)CCOCC1 2240209486 RQAWRCZGXWFVMR-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CC1CC1 2240563245 SCGSXLVNXFTNOX-WMZOPIPTSA-N 282.516 4.575 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc3ccoc23)C1 2241176962 FRFDDEMNKLNACP-RDTXWAMCSA-N 270.372 4.761 30 10 CJEE CCCCCCCCNc1ncc(C)cc1Cl 2250235833 ACJZFPYLAHHLEP-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE C=CCCCSc1cc(Cl)sc1CNC1CC1 2250712166 FLKQZGNVEZHAAS-UHFFFAOYSA-N 287.881 4.712 30 10 CJEE C[C@@H]1CC[C@H](CS[C@@H](CC#N)c2ccccc2)C1 2256634601 YUDJKENVUYKUEK-YCPHGPKFSA-N 259.418 4.811 30 10 CJEE C=CCCCCCCCSc1nc(C(C)=O)cs1 2258996701 VTZNDDHUSJZGKR-UHFFFAOYSA-N 283.462 4.964 30 10 CJEE C=CCCCCCCCSCc1csc(C#N)n1 2259047451 ZEIDJYTWQXUASA-UHFFFAOYSA-N 280.462 4.775 30 10 CJEE C=C[C@H](C)CCN[C@@H](c1cccs1)C1CCCC1 2260241536 ZLTXCOJWSTWEFL-XJKSGUPXSA-N 263.450 4.781 30 10 CJEE CCCCCCCCCC[C@H](CCC)OCCN 2262700738 PPMNOTJKGKAZJU-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CC(C)[C@@H]1CC[C@@H](N(C)CCCCCCCS)C1 2263205215 GFLVVDCEIDYIOE-HZPDHXFCSA-N 271.514 4.623 30 10 CJEE CC1(C)CC[C@]2(CCN2CCCCCCCS)C1 2263208830 WMWHVTSGHXSNTA-INIZCTEOSA-N 269.498 4.521 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCCOC 2263718790 USUZRTWJCLFPNM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE O=C[C@@]1(CC[C@@H]2CCCCC23CC3)CCCC12CC2 2264932386 SCIRWMXSHMRASF-YJBOKZPZSA-N 260.421 4.886 30 10 CJEE CCCCCCCCCN(C)C1CC2(CC(F)C2)C1 2265726266 TXCZTGFRNNUOSE-UHFFFAOYSA-N 269.448 4.950 30 10 CJEE N#Cc1ccc(Cl)c(NCC[C@@H]2CCCC23CC3)c1 2266722850 JVKCZJGWXUGVMX-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE C#CC[C@@H](C[C@H](N)c1cc(Cl)c(Cl)cc1C)C1CC1 2270965733 QWIKBYCGUJPMDN-LRDDRELGSA-N 296.241 4.741 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 2271583999 DQLIFXGWOUUKKM-MELADBBJSA-N 284.465 4.601 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@](C)(CC)OCC 2271791989 QPQAWEWNXFOUEE-DLBZAZTESA-N 269.473 4.696 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ncc(C(F)(F)F)s1 2271839303 PADOJRPHFWMHDI-JTQLQIEISA-N 292.370 4.559 30 10 CJEE C=C[C@H](C)CCN(C)C[C@H]1C[C@H]1C1CCCCCC1 2273218434 GZEWDCVAQIZDGT-JQHSSLGASA-N 263.469 4.737 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C1CC2(CCC2)C1 2273298867 FFFIHVHSTZTLDB-IBGZPJMESA-N 283.481 4.892 30 10 CJEE C[C@@H](C[C@H](O)C#Cc1ccccc1Cl)CC(C)(C)C 2277849161 LJZQQLFVMKUHTJ-DZGCQCFKSA-N 278.823 4.515 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CC)NCCC 2278234614 IKRHVFSDPYXKMV-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCC[C@H](NN)c1ccc2ccsc2c1 2278426577 FLLWMIIHOFRNCI-HNNXBMFYSA-N 276.449 4.766 30 10 CJEE N#Cc1ccc(Cl)c(NCC[C@H]2CCCCC23CC3)c1 2279737031 VJENXJBXWIFUGC-CQSZACIVSA-N 288.822 4.984 30 10 CJEE CCNC[C@]1(CC=CC#CC(C)(C)C)CC[C@@H](CC)C1 2284077210 QCKOTRNFDHYANR-IEBWSBKVSA-N 275.480 4.788 30 10 CJEE C=CC[C@@]1(C)C[C@H](NCCC)c2cc(Cl)c(C)cc2O1 2286437295 RXBFIBRXUBZRFB-RDJZCZTQSA-N 293.838 4.806 30 10 CJEE C=CCCCCCCCSc1nccc(C)c1C(=O)O 2287078229 HGTOZBCAOCXOFY-UHFFFAOYSA-N 293.432 4.707 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CSc2ccccc21 2287409701 XZMSDEKJEWIRSW-IAGOWNOFSA-N 289.488 4.991 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(OC)c(C)c1 2287414718 QZLPBXGQFCVLDC-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cccc(Cl)c1F 2289706970 YKPSLVFEHSCUPX-INIZCTEOSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H]1CCCC1(C)C 2289708553 FPDKXLRACBLZNJ-ROUUACIJSA-N 275.480 4.765 30 10 CJEE N[C@H](CC#CC1CCCC1)c1ccccc1C1CCC1 2289904458 KJSRWZICJYMBIK-LJQANCHMSA-N 267.416 4.538 30 10 CJEE C=CC[C@](C)(CC[C@@H](C)CCCC(C)C)OCC(=O)O 2291751712 HEBOLXPIFBHTRB-DOTOQJQBSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCCCC1(C)C 2292797928 DODUFAZEWRXLLZ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(C)cc1Cl 2292906254 NRJCGTMQVPKENT-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=CCCCC[C@@](C)(OCCCN)c1cccc(Cl)c1 2293269896 WOPYSXMJGCMZES-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@@H](C(C)C)CC1 2293299773 BMZAHIRKMQAUSU-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(CC[C@@H]1C[C@@H]1C)OCCN 2293580606 HWFGEBDCJXIAEJ-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1c(F)cccc1Cl 2293839122 FFYLTFKUSLILRW-OAHLLOKOSA-N 299.817 4.632 30 10 CJEE C=CC[C@@H](C)[C@@H](OCCCN)c1csc2ccccc12 2294537574 DMVSKGNYPBLMSJ-CXAGYDPISA-N 289.444 4.520 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CC1=CCCC1 2295676997 QUMFLPNTYHVVCI-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](CC1CC1)NCC 2295679221 NOVACRDCUGXYOA-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@H]32)[C@@H]41 2295681066 CQSPQTXKEYIEHT-MLGYWFDISA-N 275.480 4.616 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(CO)CC(C)C1 2295682776 UFMJVUKTRVGHJW-LXPRWKDFSA-N 283.500 4.514 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)[C@H]1CC1(C)C 2295685155 URDHOTNQPORABA-RYRKJORJSA-N 283.500 4.512 30 10 CJEE CCCCCCS[C@@H]1CCC[C@](C#N)(NC2CC2)[C@@H]1C 2295765552 DXIAXABCMSCLFH-DJIMGWMZSA-N 294.508 4.503 30 10 CJEE CCCOc1ccc(C(=O)C=Cc2ccccc2)c(C)c1C 2295967881 GNMZPGFLNONKRL-UHFFFAOYSA-N 294.394 4.988 30 10 CJEE CC(C)C[C@H](CS)COCC1CCCCCC1 2308053016 HCVJQWNKGCGYOK-HNNXBMFYSA-N 258.471 4.566 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2C[C@H]12 2308617377 XULCVXIAMABEBC-LTIDMASMSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1CCC[C@@H]2C[C@H]12 2309960517 OQANMAVVXAWNOF-YLFCFFPRSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CC1 2311442420 QTIRGEHIURANMH-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CC[C@H]1C(F)(F)F 2312209078 UIMSBOQEGUVGIZ-YNEHKIRRSA-N 266.347 4.686 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)C1CCCCCC1 2313647227 FJXHTJSYTZZAQZ-HOCLYGCPSA-N 269.498 4.633 30 10 CJEE CC(=CCOCCCCCC#N)CCCC(C)C 2316515239 OVXSXWUKRUVJJB-UHFFFAOYSA-N 251.414 4.860 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C#N)CCC(F)(F)C1 2320319656 ZUUHJAWYMLZFHC-SCRDCRAPSA-N 255.352 4.778 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC[C@@H]1C[C@@H]1C)NCC 2321136000 ZTJVQBRJMJUXRC-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@H]1CC[C@H]1C1CC1 2321226448 WUOIZAUDXUCUTC-TWMKSMIVSA-N 250.426 4.556 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CC2CCC1CC2 2321229149 SGXDEZSDZUTKCG-YWWDTZIBSA-N 250.426 4.556 30 10 CJEE CC(=O)[C@@](C)(C#N)[C@H](C)c1ccc(Cl)c(C)c1Cl 2327957197 BATVQDFVLGLVIE-OTYXRUKQSA-N 284.186 4.524 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(CC)cc1 2335103129 HKNGYDYOTJXNMM-YOEHRIQHSA-N 277.477 4.597 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CC(C)(C)CC2(CC2)C1 2337079562 TVQSPYNWZBQUPS-ARFHVFGLSA-N 261.453 4.680 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1nc(C)c(C(C)(C)C)s1 2337094049 LGPUCKKHODNBQY-QWHCGFSZSA-N 278.465 4.906 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CC(C)(C)CC2(CC2)C1 2337105032 TVQSPYNWZBQUPS-PMPSAXMXSA-N 261.453 4.680 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccccc1C(C)(C)C 2338748521 BUVZIBTWWALUAX-QGZVFWFLSA-N 257.421 4.752 30 10 CJEE C#CCCCCCCN[C@H]1CCC[C@@H](CC(C)C)C1 2338810365 PKSUSVXLJGMUDF-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cccc1Cl 2339571444 FYBWJMIOIBPWQL-RISCZKNCSA-N 296.241 4.694 30 10 CJEE C#Cc1ccccc1N[C@H]1CCC[C@@H](CC(C)C)C1 2339906312 WKUSGJPFVBVBFG-RDJZCZTQSA-N 255.405 4.685 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCC[C@@H]1C[C@@H]1C 2341500473 XUMYLLQFDKOMRZ-BBWFWOEESA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCOC[C@](C)(CC)C(=O)O 2343160692 JOFZGFOKQFNLEZ-INIZCTEOSA-N 272.429 4.645 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2cccc(C)c2o1 2344346660 VFTYUOYRTUKOCX-BLLLJJGKSA-N 257.377 4.604 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(OC)c1 2344378925 WDOMMWNWQBOGHL-MLGOLLRUSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)C1CC2(C1)CC(C)(C)C2 2344380709 SBLDGDMTVURSMG-HNNXBMFYSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(C2CC2)cc1 2344386409 WITGJDXTSDQBCJ-ROUUACIJSA-N 257.421 4.817 30 10 CJEE C=C1C[C@@H]1[C@@H](NC)c1ccc(CCCCCC)cc1 2353090094 GRGCQPMGFSLTLT-ROUUACIJSA-N 257.421 4.646 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H]1C[C@]2(C)OC 2356195154 KHKMYEOZKLRUMA-ATIWLJMLSA-N 281.484 4.529 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@@H]2C[C@H]1CO2 2359077478 REFKYSPJDVLFHJ-WNRNVDISSA-N 281.484 4.660 30 10 CJEE CCCCCCCC[C@@H](C[C@@]12CCCC[C@@H]1CC2)NN 2359829859 NVFBGSZOSXDPIV-SQNIBIBYSA-N 280.500 4.929 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)OCCN 2360077243 IFGWLHABRXIYAR-MHORFTMASA-N 281.484 4.517 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CC)C[C@](C#N)(NC(C)C)C1 2360208659 RQHGBUJIVUTLHO-HZMVEIRTSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)Sc1cc(F)cc(CNCCC)c1 2360377160 ILGALRDEAQRIGQ-UHFFFAOYSA-N 293.451 4.938 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1CCC1(F)F)NCCC 2360410538 GOTHPTFJKULODV-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE Cc1ccccc1/C=C1\CC[C@H](C2CCCC2)C1=O 3895171 VERFDXWUHGZEQQ-NWNNTGRJSA-N 254.373 4.548 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cc1 20550193 RICGMBAFZDXLKW-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE COc1cc(Sc2ccccc2CC#N)ccc1Cl 39215953 AFYLHCHMUCXZMW-UHFFFAOYSA-N 289.787 4.566 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2OC)C1 41030590 ZMAYFULUOBVHFN-JKIFEVAISA-N 289.444 4.896 30 10 CJEE CCC1(CC)CS/C(=N\c2ccc3ccccc3c2)N1 53067016 GTBWYIRQDBRWNA-UHFFFAOYSA-N 284.428 4.723 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cnc2ccccc2c1 55142477 OAMQMMMDINSVLG-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)c(OC)c1 59089794 KRNIEKAOUXITPO-AWEZNQCLSA-N 279.424 4.865 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NCC)cc1F 59184462 NVWUNDFYQOCKML-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE Cc1ccc(Nc2nc3ccccc3cc2C#N)cc1Cl 71389692 NGYBABMHVWGGAW-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCn1c(C[C@H](C)C(C)(C)C)nc2cc(C#N)ccc21 86636082 TYRJYXRFYXYHJP-ZDUSSCGKSA-N 283.419 4.543 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccccc2Cl)C1 87972885 OMIDOADSKQICKV-XJKSGUPXSA-N 261.796 4.993 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccn(C3CCCCC3)n2)C1 87996665 YTKXBMVRRPPALQ-YJBOKZPZSA-N 285.435 4.651 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1Cl 88513236 DVTCCXPFLYFGFZ-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)C[C@H](C)CC(C)(C)C2)C1 91875895 XMOJDXZNMLLIDV-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE C[C@@H]1C[C@@H](C)CC(O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91886903 YYRJJRMRGBFEBU-RSIVFMTNSA-N 291.479 4.920 30 10 CJEE CC(C)CN(C[C@@H](CS)c1ccccc1)C1CCCC1 94853843 KOJCBRKLPWLGSK-KRWDZBQOSA-N 291.504 4.601 30 10 CJEE C=C(CC)CSc1ccc([C@@H](C)NCCC)cc1 97209143 VWNDQKSXSXDJKD-CQSZACIVSA-N 263.450 4.806 30 10 CJEE CCCOc1ccc([C@@H](C)CCS)cc1OCCC 107569471 WHVCKSYKBWHPQQ-ZDUSSCGKSA-N 282.449 4.688 30 10 CJEE CCCCCCCCCCCCN(CC)[C@H]1CCNC1 109688120 WXNLNWRRCDONLN-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCOC1(CNC)CCC(C(C)C)CC1 110067710 PRGSRGNVGLBAOS-UHFFFAOYSA-N 283.500 4.778 30 10 CJEE C[C@H](CC#N)Sc1ccccc1NCc1ccccc1 111188161 KFYYXIBJYHQISC-CQSZACIVSA-N 282.412 4.693 30 10 CJEE CCCCCCCCCCN1C[C@H](CCC)NC[C@@H]1CC 114058476 INRUWJPDEBVLDZ-OALUTQOASA-N 296.543 4.980 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1cccs1 115063689 IIWAHNYPMYGYBD-CYBMUJFWSA-N 263.406 4.675 30 10 CJEE CCCCCCCCCCCc1nc([C@@H](N)C(C)C)no1 115861817 RQLWHZVNXWHXPL-INIZCTEOSA-N 295.471 4.799 30 10 CJEE CCCCCCCCCCS[C@@H](C)CC(=O)OC 116781217 CLJNVVXBOAFBEN-AWEZNQCLSA-N 274.470 4.812 30 10 CJEE CCCCCCCn1cccc1[C@@H](C)NCCC 118238686 YEIROCRPRDXEIX-OAHLLOKOSA-N 250.430 4.519 30 10 CJEE CCCCCC[C@H](C)n1c(S)nc2c(C#N)cccc21 126020448 FBHYGHAIADAPKB-LBPRGKRZSA-N 287.432 4.728 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ncc[nH]1 126803248 LVAATRALALSRLB-OAHLLOKOSA-N 265.445 4.591 30 10 CJEE C=CCCCOc1cccc(Cl)c1CNC(C)(C)C 127877508 FBJVUMDKFIZGBF-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CCSc1cccc(Nc2ccccc2C)c1C#N 136615699 NUACFIINFFDIST-UHFFFAOYSA-N 268.385 4.722 30 10 CJEE CCCCCCC[C@H](N)c1ccnc2ccccc12 139651832 XLUNGYUXJIFIKK-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccncc1Cl 140426587 ZWARZUJTILDKBW-OAHLLOKOSA-N 268.832 4.746 30 10 CJEE CCCCCCC[C@H](NC)c1ccccc1OC(F)F 158120984 PGIMPRCVZNQWSK-AWEZNQCLSA-N 285.378 4.909 30 10 CJEE CCCCCCCC[C@H](N)c1cc2c(s1)CCC2 158943028 IJVNLSLQFFGRTK-AWEZNQCLSA-N 265.466 4.987 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(N(C)C)cc1 159167359 DZMATRFPWKCHJG-INIZCTEOSA-N 276.468 4.764 30 10 CJEE Cc1cc(C#N)cc(Nc2c(Cl)ccc(C)c2Cl)n1 160935544 BOBLFJJXVYWROZ-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1F 166859024 ATVDQTBWJMKALH-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H](CC)SC 189895819 BTMNJEUQJILAGI-HNNXBMFYSA-N 291.460 4.619 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@@H](C#N)c2cccc(Cl)c2Cl)C1 212952906 CTVYIMGHPNKSST-GYSYKLTISA-N 297.229 4.536 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCCC[C@@H]2C(C)C)CC1 214816978 DYDKAEZVYQMTAU-FPQWYMTMSA-N 277.452 4.674 30 10 CJEE C=CCOc1ccccc1CN[C@@H](CCC)CCCC 225996388 ITYDGIKALQLOHG-KRWDZBQOSA-N 275.436 4.700 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cncc(OC)c1 229101272 NTWWYUXDXMHAPS-GOSISDBHSA-N 292.467 4.882 30 10 CJEE C#C[C@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229881888 LNLMQWRHNHBAON-RKDXNWHRSA-N 290.621 4.709 30 10 CJEE C=CCCCCCOc1ccc([C@H](C)NCC)c(F)c1 233548334 ZWEHDNZGULIRDG-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE Cc1ccc(O)c(N=Cc2cccc3ccccc23)c1 252460956 JLJRJSRPGQMKDQ-UHFFFAOYSA-N 261.324 4.604 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]2CC[C@H]1C2 252812197 HFNWQAGBBDZMPH-MWDXBVQZSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@H]2CC[C@H]1C2 252812201 HFNWQAGBBDZMPH-QAETUUGQSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CC[C@H](Nc2cccc(SC)c2C#N)[C@H]1C 252812838 HTMVRRPEORDTJG-SCRDCRAPSA-N 274.433 4.517 30 10 CJEE N#CC1(c2ccc3[nH]c(C(F)(F)F)cc3c2)CCCC1 260614534 RRCRTOQSVLMWBL-UHFFFAOYSA-N 278.277 4.522 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@H](C)S1 300422932 VSLJQMKGYIFSNK-QPSCCSFWSA-N 289.554 4.561 30 10 CJEE CC[C@H](Nc1cc(C)cc(C#N)c1)c1ccc(F)cc1 308123345 RXMOMADBQWUXLM-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CCc2ccc(Cl)cc2)C1 308522717 PMOJRODGINYLDY-CZUORRHYSA-N 261.796 4.993 30 10 CJEE C=C([C@H](NCCC)C(C)(C)C(C)(C)C)C(F)(F)F 311166990 OFZZJNJSSAPVSU-NSHDSACASA-N 265.363 4.545 30 10 CJEE CCCCCCCc1nc2cc(F)c(Cl)cc2[nH]1 311178461 WCABVPLYEMOCQA-UHFFFAOYSA-N 268.763 4.868 30 10 CJEE CC(C)(C)C#CC[C@@H](O)c1cc2cc(F)ccc2s1 311358000 ZEKGLBZOIYELQI-CYBMUJFWSA-N 276.376 4.513 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCCC[C@H]1c1ccccc1 312506482 ZWUAGFFRWKTBCL-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCCNCc1oc(CC)nc1C 312621715 JBDUDRWEVDXMJF-UHFFFAOYSA-N 280.456 4.776 30 10 CJEE O=CC1(Cc2cc(F)ccc2Cl)CCCCCC1 316500789 VQCKYAUUACYVGG-UHFFFAOYSA-N 268.759 4.561 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2cccc(F)c2)CC1 317257083 FHHWGDYLEYOKCO-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE C=C[C@@H](C)C1(CNC(C)(C)C)CCC(CC)CC1 317974548 LUISFAKLBKWJPI-HPUBIQBYSA-N 251.458 4.783 30 10 CJEE CCCCCCCCOCc1nc(CNC(C)C)cs1 328435922 XJSLEYGRIWOUQD-UHFFFAOYSA-N 298.496 4.518 30 10 CJEE C#C[C@H](Nc1c(Cl)cc(F)cc1Cl)c1ccccc1 378696720 GJUDGPABJBATIQ-AWEZNQCLSA-N 294.156 4.919 30 10 CJEE C[C@H]1CCC[C@@H](SCCCB2OC(C)(C)C(C)(C)O2)C1 382074301 TWESFNNWKABKSF-UONOGXRCSA-N 298.301 4.781 30 10 CJEE C=CCCCCCCNc1ccc(C(=O)O)cc1Cl 382170721 FNHMIDZBWHIOHL-UHFFFAOYSA-N 281.783 4.587 30 10 CJEE CC1(C)CCC(C/N=C2/NC3(CCCCC3)CS2)CC1 383837175 LNEXAQRVDCEBGB-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CC(C)(C)[C@@H]1CS/C(=N/[C@@H]2CCCCC23CCCC3)N1 393985883 VVURCGAZWVAGJP-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE C=CCCCCCCNC[C@H]1CCCC[C@H]1CC 401490544 XXVZJHGXRVWYGY-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCCCCCCCC(=O)[C@H](C)CC(F)(F)F 402563136 MPBIZHSUOHNPIS-LLVKDONJSA-N 252.320 4.895 30 10 CJEE CC[C@@H](OCC1(CS)CCCC1)c1ccccc1 403301479 BNWPHIMYGQJLMR-OAHLLOKOSA-N 264.434 4.645 30 10 CJEE N#CCCCCNc1cc(Cl)c(Cl)c(Cl)c1 404346725 WNCHITSXKWKGBX-UHFFFAOYSA-N 277.582 4.753 30 10 CJEE CC1(C)CCC(C[C@](C)(C=O)c2ccccc2)CC1 405661474 PGTZFUWIALXOSI-GOSISDBHSA-N 258.405 4.750 30 10 CJEE CC(C)[C@@H]1C[C@@H](NCC2CCC(C#N)CC2)c2ccccc21 442865478 FYHRCEJFGRKPBM-ZGIUJUBFSA-N 296.458 4.791 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](OC)C1 686314275 PJWCYVBSXMVIMB-BBWFWOEESA-N 270.457 4.693 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](CC)C1 686679879 TUHKYIAWFZLQCC-KURKYZTESA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@H](Cc1ccsc1Cl)NN 687855311 GTANSVFNRFSBME-CYBMUJFWSA-N 288.888 4.527 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccc(F)cc2)C1 688281140 XJTJKCHIDBKLKS-UHFFFAOYSA-N 276.395 4.790 30 10 CJEE SCCCCCCCCCSc1nccn1C1CC1 689804215 VBLGMQAUTMMWEJ-UHFFFAOYSA-N 298.521 4.971 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]12CCCC[C@@H]1C2 693239356 GTCXPZMSCSTTSK-IXDOHACOSA-N 251.458 4.905 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1NCc1cccc(Cl)c1Cl 693720009 YLBIPCDAZITDRC-RISCZKNCSA-N 297.229 4.555 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(C)cc1OC 703775369 APNQQRAZLZHSCG-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H](C)C(F)(F)F)NN 705547956 DZDQJTXBEKXWKJ-ZIAGYGMSSA-N 296.421 4.938 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CCC(C)(C)CC1 710547463 JDNRXTBADOMYOI-CQSZACIVSA-N 257.849 4.714 30 10 CJEE CCCc1c([C@]2(C)CC[C@H](C)C2(C)C)sc(C#N)c1N 710755697 ZAWNWCPYRBWWNU-GTNSWQLSSA-N 290.476 4.868 30 10 CJEE CC1(C)CCC[C@H]1/N=C1/NC2(CCCCCCC2)CS1 713203084 QGPULCGHIQFHNZ-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCCCCCCCCCCCNCCOC1CC1 715004853 KWIMGUWKQIRWGX-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc2cc(C)ccc2o1 715703300 GPFFEBBTIUTOBJ-KDOFPFPSSA-N 271.404 4.994 30 10 CJEE Cc1ccc(N[C@@H]2CCCCCC2(C)C)c(C#N)c1 718964523 GPKYTTFXZZWHLL-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@@H](NN)c1cscc1C(F)F 720319996 JSZRCBQRIAVHHF-CYBMUJFWSA-N 290.423 4.941 30 10 CJEE C=C1CCC(CN[C@H]2CCc3sc(Cl)cc32)CC1 724440433 BMFZSSZJNFVTOZ-ZDUSSCGKSA-N 281.852 4.725 30 10 CJEE C=C1CCC(C[C@H](CSCC(C)C)NCCC)CC1 724549014 KNKUSOZGCMQRMA-QGZVFWFLSA-N 283.525 4.880 30 10 CJEE C=C1CCC(CC(=O)c2cc(Br)oc2C)CC1 724581006 ABEQCHVLCMDOMO-UHFFFAOYSA-N 297.192 4.670 30 10 CJEE C=C1CCC(C[C@@H](NN)c2ccc3sccc3c2)CC1 724581424 BNVHENCZVCMPMB-MRXNPFEDSA-N 286.444 4.542 30 10 CJEE CC[C@@H](C#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 725431950 UQHIZOWSKHBYPZ-ZETCQYMHSA-N 281.199 4.741 30 10 CJEE C=CC(C)(C)CC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 880434370 AVIKFCRQSHGYCB-SFHVURJKSA-N 295.426 4.509 30 10 CJEE O=C(/C=C(/O)c1ccc(Cl)c(Cl)c1Cl)C1CC1 1088741813 NFSJVELCALDPPC-BJMVGYQFSA-N 291.561 4.525 30 10 CJEE C=CCCCCCN(C)C(=O)/C(F)=C\C1CCCCC1 1126325473 SKKBRJLYNVFFEJ-JQIJEIRASA-N 281.415 4.625 30 10 CJEE C=CCCCC(=O)Nc1ccc(Cl)cc1C(C)C 1131202403 YRMSTXPXLNSLAF-UHFFFAOYSA-N 265.784 4.758 30 10 CJEE C=CCN(C(=O)C1CCC(CCCC)CC1)C(C)(C)C 1131324251 CEEKCGUXWZBUFI-UHFFFAOYSA-N 279.468 4.796 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 1137006680 ARXUCVHNGOMURF-MSOLQXFVSA-N 285.431 4.528 30 10 CJEE C=C(C)c1cccc(NCc2cccc3cnccc23)c1 1179748034 VNVVWKVMKHZFKV-UHFFFAOYSA-N 274.367 4.880 30 10 CJEE C=CCC[C@H](C)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1182370142 SNEPIZICMNAWTF-LXZKKBNFSA-N 277.839 4.920 30 10 CJEE C=CCCC(C)(C)CNC[C@H](OC(C)C)c1ccccc1 1183256860 SSOUIUWWHKLXAS-SFHVURJKSA-N 289.463 4.735 30 10 CJEE C=CC[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccncc1 1200551979 KZKKQVHDMNGAIN-LJQANCHMSA-N 294.442 4.786 30 10 CJEE C=CCC1(CN[C@@H](C)[C@H]2CC3CCC2CC3)CCCC1 1205788758 GCGOIJCXNJDQGF-FCCDEINASA-N 275.480 4.927 30 10 CJEE C=C(C)CCN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 1205881468 DTNSSIOVIGZORC-ZDUSSCGKSA-N 285.353 4.582 30 10 CJEE C=C(C)CCN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 1205883172 SJIOQOZPGTUPGN-HOCLYGCPSA-N 263.812 4.532 30 10 CJEE C=C(C)CCN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1308773712 JLYNCKLAWPZXKY-HOCLYGCPSA-N 297.364 4.897 30 10 CJEE C=CCC[C@H](NCc1cnc(-c2ccccc2)s1)C1CC1 1320009777 MWGGDJHOIRTOGT-KRWDZBQOSA-N 298.455 4.645 30 10 CJEE C=CC[C@H](C(=O)Oc1cccc(Cl)c1)c1ccccc1 1350298636 SYPXVXIRTZPKKY-INIZCTEOSA-N 286.758 4.605 30 10 CJEE C=CCCCCSc1nc(C)c(C)n1CC(C)C 1458855130 AMJCTNPDAMYZBZ-UHFFFAOYSA-N 266.454 4.604 30 10 CJEE C=CCCCCN1CCS[C@H](C)[C@@H]1c1ccccc1 1459480359 AJAKPZMNRZTBBV-NVXWUHKLSA-N 275.461 4.521 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2OCC(C)C)C1 1461094999 VXWCIYNOZULPPU-AEFFLSMTSA-N 287.447 4.556 30 10 CJEE C#Cc1ccc(CNC2CCC(C3CCCCC3)CC2)cc1 1461513112 IZZMMRDUIORUCD-UHFFFAOYSA-N 295.470 4.897 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(SC)cc2)C1 1462155844 LHHSXLBYRFSWKU-SQWLQELKSA-N 275.461 4.804 30 10 CJEE C=C(CC)CNCC(Cc1ccccc1)Cc1ccccc1 1462337682 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CN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)C1CCCCC1 2284095298 LYHAZOROUMJTMW-WMZOPIPTSA-N 275.480 4.787 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC[C@@H]1C(C)C 2284156691 APVQLUMMELFUAO-FGTMMUONSA-N 275.480 4.643 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C[C@@H]1CCCC12CC2 2284169233 JELWLBNUBUTFCE-DLBZAZTESA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(C(=O)O)CCC=CCCC1 2284181760 WDTYGAIUGQXQQM-GOSISDBHSA-N 274.404 4.574 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C#N)CCCC(C)(C)C1=O 2284947675 TYYXLOKYNNCAFF-VKJFTORMSA-N 275.436 4.882 30 10 CJEE C=CCCCCCCCSc1cccc(F)c1CCN 2287089313 JNADPOKVOXOEID-UHFFFAOYSA-N 295.467 4.946 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)C1CCCCCCCC1 2287672818 JSHHLMXLQNBGEA-SFHVURJKSA-N 281.484 4.817 30 10 CJEE C=CCCCCCC[C@@](CCC)(OCCN)C(F)(F)F 2292785822 AHUPGGAQZDWPEH-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCC[C@@](C)(CC#CC(C)(C)C)OCCCN 2294038656 KKDPWVZYYNZNBY-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCCCCC[C@](C)(OCCN)C(C)(F)F 2294560400 WEOZUHQVAGOXHW-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccc3ccc(Cl)cc3n2)C1 2294982132 RUOXIKGOFWJEPG-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@](C)(C#N)NCCCN=[N+]=[N-] 2295603217 KEQRFXNQUVACBI-OAHLLOKOSA-N 279.432 4.699 30 10 CJEE CCCCCCCCC[C@](C)(C=C(C)C)OCC(=O)O 2295679906 UJCDEUGCODILHF-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc2scnc2c1 2296152363 CWSCUBCKHPINRS-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE C=CCC(CC=C)Nc1cc(Cl)c(N)cc1Cl 2298823280 ALYSIKRTXBLVFF-UHFFFAOYSA-N 271.191 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1csc(CC)c1 2304021464 ICYSQMVLTNPTKQ-HUUCEWRRSA-N 251.439 4.563 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cccs1 2304059697 QTEQDXBHZHZQCH-GJZGRUSLSA-N 251.439 4.781 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(F)cc(Cl)c1 2304118619 BNDIYRNKJAGEAT-UONOGXRCSA-N 256.748 4.505 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cc(F)c(Cl)cc1Cl 2306200454 XYJPLTUAGXWOTB-OQPBUACISA-N 276.182 4.735 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](CS)CC(C)C 2308054943 BPEHRMZVQOOCDG-GJZGRUSLSA-N 258.471 4.730 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C 2308642833 NIMMIJMRGNDRQW-QBPKDAKJSA-N 251.458 4.639 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1CF 2310937800 QCPCJEQMHLECCM-BZUAXINKSA-N 257.437 4.711 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2CCC2(F)F)CC1 2313733207 RPIDSULGAQLGLC-OCCSQVGLSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCC[C@@H](O)C#CCSC 2314627849 RRDGMKWINOVKRE-MRXNPFEDSA-N 270.482 4.635 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)C1(Cl)CCCC1 2318310249 ABQYCPNOMVGMPJ-JTQLQIEISA-N 283.202 4.564 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cccc2ccsc12 2319254125 ADVPUKSIAGHDDA-GJZGRUSLSA-N 257.402 4.518 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(F)c1Cl 2321126794 DALPZNGOMHVIGO-HUUCEWRRSA-N 269.791 4.732 30 10 CJEE CCCCCCCCNCCC1(C(F)(F)F)CC1 2321546718 JQKFWVRQZLBFPE-UHFFFAOYSA-N 265.363 4.669 30 10 CJEE C=CCOc1cccc(C=CC(=O)c2ccc(F)c(C)c2)c1 2323172465 FLBCHSZCWJCLBJ-UHFFFAOYSA-N 296.341 4.595 30 10 CJEE Cc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccc(O)c1 2325789599 GGUBPLFVUJZEAW-UHFFFAOYSA-N 294.394 4.894 30 10 CJEE CC(C)[C@H](C)[C@@H](C)N(C)C[C@@](C)(CS)C(C)(C)C 2327282483 LJDGEPRAHXVSDL-LZWOXQAQSA-N 273.530 4.581 30 10 CJEE C=CC[C@H](C)C(=O)C1CCC(CC(F)(F)F)CC1 2328348713 AMHVFIJOWNKHFW-UNXYVOJBSA-N 262.315 4.527 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccccc1Cl)[C@@H](C)N 2335100860 OBYXKIQNZBFWRJ-WBMJQRKESA-N 295.879 4.982 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccc(C)cc1 2337108133 BKCGKLNOPYODMW-NXHRZFHOSA-N 257.421 4.781 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCC(F)(F)CC1(C)C 2337111807 OSTREOSNNMNHLY-MGPQQGTHSA-N 271.395 4.535 30 10 CJEE CCCCCCCCC[C@@H](C#CC1CC1)NCCC 2337437915 DJMAEDJPCHQJPU-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CCC(CC=C)[C@@]1(N)CCCCC[C@@H]1C(F)(F)F 2338728548 WGTNBAICVWEIJI-KBPBESRZSA-N 275.358 4.595 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1COCC1(C)C 2339072231 CMHDJMOEYWAJMS-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1C[C@H]2C[C@H]1CC21CC1 2339475032 GJZHTXOSXILVDX-NXOAAHMSSA-N 263.469 4.904 30 10 CJEE CCCCCCCCCCOCC[C@@H](N)CC(C)C 2339975667 UWBPULNTCMAEPJ-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE C#Cc1c(F)cc(N[C@H](CC)c2cccs2)cc1F 2344198959 WUOYGACKJBWKFK-CQSZACIVSA-N 277.339 4.571 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cccc(C2CCC2)c1 2344369863 VJFDMHCCZZGEKZ-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cnc2sccc2c1 2344381890 ODSSHGRPPHTUML-GDBMZVCRSA-N 274.433 4.549 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)CC1(CS)CC(C)(C)C1 2345007473 BJBVCDHDCFTQKD-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@H](CCC)CC1 2352002609 CUMYZGZKCGIWBD-GOEBONIOSA-N 284.465 4.890 30 10 CJEE Cc1cc(Cl)c([C@@H](N)C#CC2CCCCC2)c(Cl)c1 2353058527 IAXFHFHVZMYOBP-HNNXBMFYSA-N 296.241 4.885 30 10 CJEE CCCCCCc1ccc(CCCC[C@H]2CO2)cc1 2353120878 ATDKGIIKKHBWFT-SFHVURJKSA-N 260.421 4.921 30 10 CJEE CCCC#CC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2358137022 AAHGPYXTXVLHRU-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NN 2358416124 VUKSGFZBZFDUHG-MELADBBJSA-N 294.405 4.548 30 10 CJEE CCCOc1ccc([C@H](C)Nc2ccccc2C#N)cc1 21019696 SJKYWXJOSLBQFC-AWEZNQCLSA-N 280.371 4.520 30 10 CJEE Cc1cc2nc(/C=C\c3ccc(C#N)cc3)sc2cc1C 33500088 ZPXGRGYDKZYRGP-FPLPWBNLSA-N 290.391 4.955 30 10 CJEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(C(C)C)cc2)s1 36931496 HXDOGMKPOWQVKF-HNNXBMFYSA-N 283.396 4.670 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(C#N)cc1Br 37072181 AFFXWVIQSSZFTG-NSHDSACASA-N 295.224 4.557 30 10 CJEE CCN(CC(C)C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 37147216 KOOQNCCRVZLDAE-GVDBMIGSSA-N 278.484 4.709 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 37936648 OCMSHFMYVDGTGL-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1c(F)cccc1Cl 37937307 UGUAGKVZCZLNNC-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C1CCCCC1 52335298 XOUVFSXCUQEAPN-KBXCAEBGSA-N 270.420 4.568 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1 54823535 BGIOEPLQHLKEPI-SMDDNHRTSA-N 282.309 4.590 30 10 CJEE CC(C)(C)c1ccc(Oc2cccc(F)c2C#N)cc1 62665015 DYDRICMUWYWFRR-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)c3ccccc3n2)s1 68770278 AWTJOILSHMWHFE-LBPRGKRZSA-N 293.395 4.650 30 10 CJEE C=CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 71276641 HFLQYLNVBFIYJE-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)CC1 86949125 ZBEZSIWWQZOGDV-PBHICJAKSA-N 274.383 4.880 30 10 CJEE C[C@H](CCS)CCSc1ccc(Cl)cc1 87095986 VXSFGJXSJMZSSQ-SNVBAGLBSA-N 260.855 4.778 30 10 CJEE N#Cc1csc(CNc2ccc(Cl)cc2Cl)c1 93684927 ZPJFXARUXWGFGZ-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(C(C)C)cs1 104438235 DYKUOJCQOHEHGH-HNNXBMFYSA-N 268.470 4.801 30 10 CJEE CCCC1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265384 FZNXRAIBDPTBOX-KZNAEPCWSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(c1)OCCCO2 115855733 RQFLXEJMIXDUQE-MRXNPFEDSA-N 291.435 4.598 30 10 CJEE CCCCCCCCCN[C@H](C)CCC[C@H](C)C(=O)O 116071134 OIMVATCHVZLENJ-JKSUJKDBSA-N 285.472 4.606 30 10 CJEE Cc1ccc(C#N)cc1NCc1c(C)oc2ccccc12 123299998 NWVWOTXHKHRDGI-UHFFFAOYSA-N 276.339 4.533 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(C)CCCO1 123599312 VADAJKJVHHPBJJ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCNc1ncc(C)cc1Br 126591328 BDMYXKSRVHDYBT-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE Cc1cc(Nc2cc(C(F)(F)F)ccc2F)ccc1C#N 126893368 RUSNDQKIYZZEAE-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCCCCCCCCC[C@@H](O)C1C[C@@H]2CC[C@H](C1)N2C 129076671 MDGQDRBCCVGLQM-XVLXNVKGSA-N 295.511 4.751 30 10 CJEE CCCCCCC[C@@H](CN)N(C)C1CCC(C)(C)CC1 129796572 BKDKTYGFHRONSY-KRWDZBQOSA-N 282.516 4.575 30 10 CJEE Cc1cc(Oc2ccc(C(F)(F)F)c(C#N)c2)ccc1F 135347282 BHGVFEFRTWFJMU-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE CCCCCCCC[C@H](N)c1ccn(-c2ccccc2)n1 140378654 BMXPNCMUJDVSBR-KRWDZBQOSA-N 285.435 4.623 30 10 CJEE CCCCCCCNCCCCCCCCCCO 148028770 PUDOVFRGVZGDHJ-UHFFFAOYSA-N 271.489 4.660 30 10 CJEE CCCCCCCCCN[C@H](C)CCSCC 160148162 SQASCAGKVXEJFS-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CC1(C)CCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164033680 KPGHGKHGOBASJV-CYBMUJFWSA-N 282.309 4.568 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CSCCC 189877059 LGXQOMDKOYYBHF-UHFFFAOYSA-N 291.460 4.620 30 10 CJEE CCCCCCCCCCC(=O)[C@H](OC)C(C)C 227407431 IAXQMTQCWMXWHX-MRXNPFEDSA-N 256.430 4.757 30 10 CJEE CCCCCSC[C@@H](CS)c1ccccc1 233052826 HTILTDLIQJEULS-CQSZACIVSA-N 254.464 4.623 30 10 CJEE O=C(CSc1ccc(F)cc1)C1=CCCCCCC1 236155035 AFBFNTBZYMGDIH-UHFFFAOYSA-N 278.392 4.768 30 10 CJEE CCCCCCCCCC[C@@]1(CN)C[C@@H]2C[C@@H]2C1 250835511 URVVKXJDILZXGF-FVQHAEBGSA-N 251.458 4.892 30 10 CJEE CCCCN(CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252437443 VVTFBPOUNVNOAM-GVDBMIGSSA-N 278.484 4.853 30 10 CJEE C[C@H]1CC(=NNc2nc3ccccc3s2)CC(C)(C)C1 254816940 MZRXIHDILRWIMX-NSHDSACASA-N 287.432 4.910 30 10 CJEE CC(C)Sc1ccc([C@@H](C)CC=O)cc1Cl 258390536 MXZLTRNAQLDHOJ-JTQLQIEISA-N 256.798 4.533 30 10 CJEE CC(C)[C@H](C#N)Cc1nc(C2CCCCC2)cs1 259107337 AYEWYLLEFLXVDJ-ZDUSSCGKSA-N 262.422 4.529 30 10 CJEE CSc1ccc([C@H](CC#N)C2CC2)cc1Br 260605504 NWCFHCMQVLIBOF-LLVKDONJSA-N 296.233 4.578 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2sccc2Cl)C1 304579349 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30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@]1(C)CCCCO1 2207434723 DWEGAEATNHXCMZ-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CCC1CC(N)C1 2207440548 WCBAQGRHUCUANB-DAWZGUTISA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](CC1CC(F)(F)C1)NN 2207443050 WPDAHKSLQDIIHF-OAHLLOKOSA-N 288.426 4.561 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCC(C)(C)CC)NC 2207449359 NJUHEICEZVGPFD-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)c1ccc(SC)cc1 2207452310 YNJICRDELOYXAC-IAGOWNOFSA-N 295.492 4.520 30 10 CJEE CCCCCCCCNc1c(C)ccnc1Br 2214532378 LECZEQLOGXKIOR-UHFFFAOYSA-N 299.256 4.925 30 10 CJEE C[C@H](NCC#CC(C)(C)C)c1cc(Cl)sc1Cl 2216674343 HDSHWYHWNCBFLH-VIFPVBQESA-N 290.259 4.755 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1[C@H](C)[C@H]1C 2220079058 BOBWULUQTXVQIZ-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CCCCCCCC[C@](N)(C(F)F)C1CCC1 2220084469 SMMAEFIYSFNIPM-OAHLLOKOSA-N 259.384 4.666 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc(Cl)nc1 2220087345 ITSASXZPEFUNHE-AWEZNQCLSA-N 267.800 4.685 30 10 CJEE 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4.548 30 10 CJEE CCCCCCCCCNC[C@@H]1OC[C@@H]2CCCC[C@H]21 2233201352 BOBOWRIRAILLBL-KSZLIROESA-N 281.484 4.532 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233671909 QSVULUIXNATKAE-JKEDJMADSA-N 275.480 4.927 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 2233782290 MPFWGKKQQOGIJE-KFWWJZLASA-N 289.385 4.527 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2235519697 SKKHVBBQGUXQRG-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC(C)(C)C[C@@H]1OC 2235520249 XKRBILWDAYQGCH-WMZOPIPTSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@H]1C 2235523283 DISRNNLKNFAQOK-KSZLIROESA-N 281.484 4.696 30 10 CJEE CC1=CC[C@](C)(CNc2cc(Cl)c(C#N)cc2F)CC1 2237337693 SNZDCJUFKKDCCX-INIZCTEOSA-N 292.785 4.899 30 10 CJEE C=C1CC(C[C@H]2CC[C@H](CCC)CC2)(C(=O)OCC)C1 2238187089 DSVGEZRCLBMMLO-WKILWMFISA-N 278.436 4.883 30 10 CJEE CCCCC[C@H](NCC#CC(C)(C)C)c1ccccc1 2238716132 RUMGGEYNKIJNLA-SFHVURJKSA-N 271.448 4.947 30 10 CJEE CCCCCCCCOc1nc(CN[C@H](C)CC)cs1 2238757172 MCHRMNYMYIVAFU-CQSZACIVSA-N 298.496 4.771 30 10 CJEE CCCCCCCCCO[C@](C)(C(=O)O)C1CC(C)C1 2239443255 CRELWWRJVIPOEF-DQPZFDDXSA-N 284.440 4.643 30 10 CJEE CCCCCCCCCOCc1cc(N)ccc1OC 2239486638 IQQAMCNJGBJTGM-UHFFFAOYSA-N 279.424 4.545 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CC(C)(C)CN1 2239548526 KVHNAYXIKISRKQ-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCC[C@H](CC)C1 2240555613 IOPAUNSZSPOVRA-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)[C@H](C)C(C)C 2240565934 NMMQLHMOIHJBHN-MSOLQXFVSA-N 284.532 4.821 30 10 CJEE C#Cc1ccc(CN[C@@H](C)CCCCCCCC)cc1 2240638572 VOKRJNJAAIWUNL-KRWDZBQOSA-N 271.448 4.897 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@@H]1CCC[C@H]1C 2240640517 RAASPAOACOUSDY-RYRKJORJSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C=C(C)C)NCCC 2240654918 WQZIGIFWFSAPOV-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1OCCCC1(C)C 2240665860 HSSRHDPHORQRNF-DLBZAZTESA-N 283.500 4.920 30 10 CJEE C=C(C)CCCCOc1cc(Br)ccc1F 2244628427 GLWYOQVJPLDSLH-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=C(C)CCCC[C@@H](CO)c1ccccc1Br 2250159674 SDSLCQGBVWSIKZ-ZDUSSCGKSA-N 297.236 4.662 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1csc(C)c1 2250190755 SPDJAQNLLPRBMI-HNNXBMFYSA-N 251.439 4.844 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(Br)cc1F 2250192731 ZBSDNNUFUFRVQP-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE CC[C@](O)(CC=CC#CC(C)(C)C)CCC(C)C 2256685610 VYOVRBSIPXGNOD-KRWDZBQOSA-N 250.426 4.560 30 10 CJEE C=CCCCCCCCSc1ccc(C=O)nc1 2258994935 SOOOBEOZRCXCLY-UHFFFAOYSA-N 263.406 4.513 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@]1(C)CC1(C)C 2259231700 OAANGJBGFDINFS-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@@H](N)C[C@H]2CCCCC23CC3)CC1 2264901891 GAZSLMRGPDYDIW-IAGOWNOFSA-N 261.453 4.811 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C[C@@H]1CC12CCC2 2265196688 XTXBNEWDONTQRE-KXBFYZLASA-N 283.481 4.750 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)CC1(C(F)(F)F)CC1 2266521595 FYSPOBPOALOZNO-LJQANCHMSA-N 297.386 4.512 30 10 CJEE Cc1ccc(Cl)c([C@H](O)C2(C#N)CCCCCC2)c1 2268008562 ADYHNRMNOFLJFN-HNNXBMFYSA-N 277.795 4.546 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1c(F)cc(C)cc1F 2268227874 KJEINOHNHSJMSY-OAHLLOKOSA-N 267.363 4.670 30 10 CJEE Cc1ccc(NCC(C)(C(C)C)C(C)C)c(C#N)c1 2268515663 GQDVTGLDSFMBJJ-UHFFFAOYSA-N 258.409 4.597 30 10 CJEE CCCCCCCCCC[C@]1(CN)C[C@@]1(C)COC 2269301294 ONRYTUMHXVSLKV-DLBZAZTESA-N 269.473 4.519 30 10 CJEE C=CC1(CN[C@@H](C)c2ccc(F)cc2C)CCCC1 2269721769 ZEECBOSERVTYLD-AWEZNQCLSA-N 261.384 4.531 30 10 CJEE N#Cc1ccc(S[C@H]2C[C@@H]3C[C@@H]3C2)c2ccccc12 2270150090 IEXGWZDWYXHUCM-BTTYYORXSA-N 265.381 4.602 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(OC(F)F)c1 2271757443 BLGWEDNEEMBDHZ-UHFFFAOYSA-N 268.303 4.607 30 10 CJEE C=C(C)CCCCN1CCS[C@H](c2ccccc2)C1 2271759189 SKIRFTQNIXADOZ-KRWDZBQOSA-N 275.461 4.523 30 10 CJEE C=C(C)CCCCNC[C@@H]1C[C@H]2CCCCCC[C@@H]21 2271796493 GPJKJACDJCWINB-SQNIBIBYSA-N 263.469 4.929 30 10 CJEE CCCCCCCC[C@@]1(OCCN)C=C(C)CCC1 2277375376 UQIXBZCXTDWVBS-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1ccsc1 2278175743 KKQAHSCTFGEYIJ-INIZCTEOSA-N 282.449 4.823 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@H]1CC[C@H](OC)C1 2278178767 RNKMYIGMILDJDO-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE C=CCCC[C@@H](C)NCCC12CC3CC(CC(C3)C1)C2 2279780952 FRHNZKMJAKMEOS-CPZBXZKTSA-N 275.480 4.927 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 2280054389 GKEBIXOGFNCZPX-ONWVLEABSA-N 295.536 4.623 30 10 CJEE N#C[C@]1([C@H](O)c2csc(C3CC3)c2)CCCCC12CC2 2283059651 FABRDNRVFYNHHX-WBVHZDCISA-N 287.428 4.523 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)c1cc(F)cc(Cl)c1 2284076430 NIPZKLXTSIDOKV-KRWDZBQOSA-N 294.797 4.682 30 10 CJEE CC(C)CNC[C@@H]1CCC[C@H]1CC=CC#CC(C)(C)C 2284083538 HUAXYEKAFFNULE-MSOLQXFVSA-N 275.480 4.644 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1CCCCCC1 2284085374 CZANKZNFDCYJAZ-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCC[C@@H]1C(F)(F)F 2284106962 XFQKQZXFPZOAST-OLZOCXBDSA-N 286.337 4.530 30 10 CJEE CSc1ccccc1[C@H](C)NCC=CC#CC(C)(C)C 2284110023 BKNKTUFSIHWVJM-HNNXBMFYSA-N 287.472 4.665 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C12CCCC1CCC2 2284154858 FQTSWWUCDSYBBV-HFCFLWKCSA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@@]1(C)COC 2284713725 UBKDVCPNHKWKHK-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE C=CCCCCCCCSc1cc(C)cc(=NCC)[nH]1 2287097345 UWNJSIQRCMUAQI-UHFFFAOYSA-N 292.492 4.862 30 10 CJEE C=CCCCCCCCSc1c(N)c(C)nn1CCC 2287182073 MOVLZZHMXOLFIO-UHFFFAOYSA-N 295.496 4.802 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)CC(C)(C)CC 2287389880 JVMWHJKNULTCHX-DLBZAZTESA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(OC(C)C)cc1 2287471314 ZWKDGJXAPRSTTG-GOSISDBHSA-N 275.436 4.871 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1(C)C(C)(C)C1(C)C 2289692809 JQHYVXJBIWMINH-MRXNPFEDSA-N 275.480 4.621 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C12CCC(CC1)C2 2289854428 JTWXANPMBXCITN-JLAWEPINSA-N 273.464 4.519 30 10 CJEE C=CCN(Cc1cccc(C(C)(C)C)c1)CC(F)(F)F 2290189523 CEZLKEZSTUILCV-UHFFFAOYSA-N 285.353 4.534 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2290290686 VHKNIFVSMOZEQH-HNAYVOBHSA-N 272.432 4.922 30 10 CJEE CCCCCCC[C@H](CCCC1CC1)OCCC(=O)O 2291770063 ANRUPMUNNVVPFG-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=CCC[C@](C)(CCCCC[C@H]1C[C@H]1C)OCCCN 2292737936 STJINJBGKOOUTJ-FGTMMUONSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)C[C@@H](C)CC[C@H]1C 2292772331 UVGKKBGWAAXYPO-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CCC[C@@H]1C 2292786185 BXEOZRAFFBKAEX-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCN)c1ccc(C(C)(C)C)s1 2294244174 YMFUQLYXXVCOJM-CJNGLKHVSA-N 295.492 4.664 30 10 CJEE C=CC[C@H](C)[C@@]1(OCCCN)CCC[C@@H](C(C)C)CC1 2294554765 WGHKJHVVMLBLFU-RCCFBDPRSA-N 281.484 4.539 30 10 CJEE N#C[C@]1(c2ccc3cc(Cl)ccc3n2)CCC12CCC2 2294976994 PBSZPIQJHPASQS-KRWDZBQOSA-N 282.774 4.614 30 10 CJEE CCCCCCCCC[C@@](C)(O)C1(CN)CCCCC1 2295589272 JWCAKKGJIWGCII-QGZVFWFLSA-N 283.500 4.787 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(NCC)C1(C)CC1 2295763975 ODXNOWPFGKGJCW-WBVHZDCISA-N 296.524 4.608 30 10 CJEE Cc1ccc(N=CC=C(O)c2ccc(Cl)cc2)cc1 2297507685 PAARWFHRMQCDRZ-UHFFFAOYSA-N 271.747 4.950 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(Cl)s1 2300175558 DTOWEPLUOFPWIS-TUAOUCFPSA-N 269.841 4.797 30 10 CJEE CCC(C=O)(CC)Cc1ccc(Cl)c(Cl)c1C 2301020722 CBUWXGDDTFVBGC-UHFFFAOYSA-N 273.203 4.850 30 10 CJEE SCCCCCCO[C@@H]1CCC2(CCCC2)C1 2303620512 BWEROKWFKMPLEB-CQSZACIVSA-N 256.455 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C)c(Br)c1 2304120572 TYWYVURFMGGYJV-CABCVRRESA-N 297.236 4.783 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)NC 2309147262 CBXSPPQVRROKOA-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)Nc1nc(C)cc2sccc12 2313526685 KMGSHYZHWIPJTQ-UHFFFAOYSA-N 258.390 4.537 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1CN 2313530911 CMKXJMAIXGMLPZ-UHFFFAOYSA-N 285.815 4.551 30 10 CJEE C[C@H](CC1CCC1)[C@@]1(C=O)CCCC(C)(C)CC1 2313665527 CIMVXGMQQQGPFW-PBHICJAKSA-N 250.426 4.988 30 10 CJEE Cc1c(Cl)ccc(N[C@@H]2CCCC[C@@H]2C#N)c1Cl 2317844827 AZYJEOKBYFGLBB-ZYHUDNBSSA-N 283.202 4.796 30 10 CJEE CC1(C)CC[C@@H](C[C@@]2(C=O)CCCC(C)(C)C2)C1 2319327295 VBOXJFLBGMGAOD-PBHICJAKSA-N 250.426 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1sccc1CC 2321096838 VUKICRIZAJAGRF-CVEARBPZSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CCC[C@H](C)C1)NC 2321107621 ICTZARGLVVJTLR-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(Cl)c1 2321143387 AMRVTYGGOBQQHB-JKSUJKDBSA-N 265.828 4.983 30 10 CJEE CC1(C)CC(CS)(COC[C@H]2CC[C@H](C)CC2)C1 2321726404 YQWIRWDSDSGTAZ-HDJSIYSDSA-N 270.482 4.566 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2325258623 ONAHKZFDZWFZPT-LKFCYVNXSA-N 289.177 4.680 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2333365161 DYDUDNGFMOAGBD-NXOAAHMSSA-N 267.432 4.629 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)O)c(C(F)(F)F)c1 2335096075 JGVQSJHDKQJYHK-NXEZZACHSA-N 290.350 4.815 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccccc1Cl 2335096331 LVUSMFDKQZLFLE-MRXNPFEDSA-N 295.879 4.855 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C)CC[C@@H]1NCCC 2335096415 MPLYPWFDRZUUNI-HYVNUMGLSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)Sc1ncc(CN[C@H](C)CC)s1 2335241899 MTMPEKQVMLORSB-GFCCVEGCSA-N 296.505 4.644 30 10 CJEE CCCN[C@H](C#CC1CC1)c1cc(Cl)c(Cl)cc1C 2337531917 OFTLAINVRMEFMI-MRXNPFEDSA-N 296.241 4.756 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1cc(F)ccc1C(F)F 2338286714 HLNMTNSXVVYDKZ-YGRLFVJLSA-N 271.326 4.626 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C 2343208004 LBFIIQIMIQUFDB-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C(=O)CC#CC1CCCCC1 2343222354 OOHDLBVOOXDJDW-HZPDHXFCSA-N 260.421 4.602 30 10 CJEE CCCCCCC[C@@H](C)NCc1ncc(C(F)F)s1 2343572783 GWPWSNQIYJFLAP-LLVKDONJSA-N 290.423 4.919 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1csc(COC)c1 2344337616 SETVPHCASTXJHJ-CVEARBPZSA-N 281.465 4.538 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1nc(C)cc2sccc12 2344343333 OEHXHJRVWCDNBP-JKSUJKDBSA-N 274.433 4.597 30 10 CJEE C=CCC(C)(C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 2344419806 JPQFDQGZAYGDAY-RYUDHWBXSA-N 276.342 4.917 30 10 CJEE CCCCC1CC(N(C)CC2(CS)CC(C)(C)C2)C1 2345006868 SLDMLLMKCXJUIL-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CC)C[C@](C#N)(NC(C)C)C1 2360208661 RQHGBUJIVUTLHO-NXOAAHMSSA-N 294.508 4.523 30 10 CJEE C#Cc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1 36840830 ZHFRGVUKYYKGKJ-UHFFFAOYSA-N 281.786 4.679 30 10 CJEE CCC[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1 37071244 QRBCKBULXJIFCW-GOSISDBHSA-N 264.372 4.706 30 10 CJEE C[C@@H](CC(=O)NC1(C#N)CCCCCCC1)CC(C)(C)C 40222167 YLEVQPOJGQPTOB-HNNXBMFYSA-N 292.467 4.572 30 10 CJEE CCCCCCCCN[C@H]1CCc2ccc(OC)cc2C1 42965197 CBOPMRLQJYNMQQ-SFHVURJKSA-N 289.463 4.503 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2ccc(F)cc2)cc1C 57685735 PKQVRVKHKMCRKY-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccccc2F)cc1C 57686492 CWPINUYMSFNXGE-MRXNPFEDSA-N 297.373 4.909 30 10 CJEE CCCCCCCOc1ccc(OC)cc1CNCCC 59178647 XEFZLVOWVKDJAR-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCC[C@H](N)c1ccc(OC)cc1Cl 59332694 ZVJCCZIYZRJERA-HNNXBMFYSA-N 269.816 4.709 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 59431420 GEENIRWGKQDARZ-CABCVRRESA-N 291.435 4.815 30 10 CJEE O=[N+]([O-])c1ccccc1/N=C/c1c(Cl)cccc1Cl 59458961 KZFOSAJGVDWOPQ-LZYBPNLTSA-N 295.125 4.652 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cccc2cccnc12 62790193 ZGHUIRJEYADOPG-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#Cc1ccc(Oc2cc(C(F)(F)F)ccc2F)cc1 75914462 WEPJFGDKEOTMJX-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCC[C@@H]1CCCN(c2ccc(C#N)cc2Cl)CC1 79343639 NYVBLQJMHIHYCO-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE CCCc1nc(-c2ccc(Cl)cc2Cl)sc1C#N 82428442 ZRFPCVBNYRZNQC-UHFFFAOYSA-N 297.210 4.941 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)s2)C1 83776087 VKIGPCGGPOVVES-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2cccc(C#N)c2)CC1 86954389 CJMOTGWJZVLOFT-HOTGVXAUSA-N 270.420 4.965 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccccc2Br)C1 87930326 CSZMSEOXASDKRP-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@@H](C)c1ccc(Cl)cc1 94579669 KHJURMNDBVSSDR-GXTWGEPZSA-N 285.884 4.535 30 10 CJEE CCc1ccccc1OCC1(CS)CCCCCC1 94584425 QPMXAPRTQGWPNQ-UHFFFAOYSA-N 278.461 4.898 30 10 CJEE COc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)cc1C 96887949 XLCDLNYAZFPFDB-MDZDMXLPSA-N 280.367 4.517 30 10 CJEE CSCC[C@H](C)N(C)CCCCCCCCCS 97799601 YXVLHYWAGFRPTI-HNNXBMFYSA-N 291.570 4.720 30 10 CJEE CCCCCCCn1c(C)nc2cc(C)c(C)cc21 101304670 NSHJIHIMYQIWCG-UHFFFAOYSA-N 258.409 4.932 30 10 CJEE CCC#CCCc1ccc(OCc2ccccc2)cc1 107579194 DIGDTAOIFUULCG-UHFFFAOYSA-N 264.368 4.612 30 10 CJEE C#CC[C@H](CCC)c1cc(Cl)cc(Cl)c1OC 107655021 KGOCGOGGVZCSFK-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CCCCC[C@H](C)Nc1cccc(Cl)c1C#N 110255433 KPRIPWLWUQEURO-NSHDSACASA-N 250.773 4.592 30 10 CJEE Cc1cccc(CSc2cc(Cl)ccc2C#N)c1 110354484 OGCUBRSJPMEGRP-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cc(C)cc(C)c1 110446434 YMRJZFDHZJISEY-GOSISDBHSA-N 262.437 4.957 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]1(C)CCCO1 123612279 WLDJJZKHWNPYHA-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@H](C)OC 129146883 CGAIGSDTAZRNMV-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCN1CC[C@@H](C)N[C@H](C)CC1 129456026 OHZVQKOHZTYFPH-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C(C)(C)C)NN 130347099 FWVCUSTZJGQSJR-CABCVRRESA-N 256.478 4.641 30 10 CJEE Cc1cc(C)c(Nc2ccc(C#N)c(C)c2)c(C)c1 133312925 JNZHRLJEIOJZRJ-UHFFFAOYSA-N 250.345 4.536 30 10 CJEE Cc1ccc(Oc2c(F)cc(C#N)cc2F)c(Cl)c1 134014622 RMVGDECSRFINFZ-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)s2)cc1 134663204 CMTUAWFPTITTCE-CHWSQXEVSA-N 284.428 4.594 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CCCO1)NCCC 158008308 XEEYFAVPVUHYCY-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCN[C@@H]1CCOC2(CCCCC2)C1 159272325 VRAWXFYMEGVVQS-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE CCCCCCCCNCc1ccc(CSC)o1 160775893 XQBYWNISHLVUNA-UHFFFAOYSA-N 269.454 4.593 30 10 CJEE C=C(Cl)CN[C@H](c1ccccc1)c1ccc(C)cc1C 160998771 SYYYSBOBRCCDGZ-GOSISDBHSA-N 285.818 4.735 30 10 CJEE C=C(Cl)CN[C@@H](c1ccccc1)c1cc(C)ccc1C 161000756 QKNMRNPBAYZFKR-SFHVURJKSA-N 285.818 4.735 30 10 CJEE CCCCCCCN1CCc2cc([C@H](C)NCC)ccc21 162165936 XRTCOAZIQNLIKO-INIZCTEOSA-N 288.479 4.690 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 162624044 AVTMEKAONFIJCP-IINYFYTJSA-N 281.808 4.638 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1F 167121420 KHDLYVZKCSZKAT-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC(C)C 169068972 AYEGXSDTBKPFJO-OTWHNJEPSA-N 277.496 4.868 30 10 CJEE C[C@H](Nc1ccccc1C#N)c1cc2ccccc2s1 169180329 NFDONNIJDQFZGH-LBPRGKRZSA-N 278.380 4.946 30 10 CJEE N#Cc1cc(F)cc(Nc2c(Cl)cc(F)cc2Cl)c1 227627160 SLRVDVZHPFJSJD-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCC[C@@H](N)c1cncc(OCC)c1 229109293 MNBWOTDWTNJERA-QGZVFWFLSA-N 278.440 4.621 30 10 CJEE CC(C)C[C@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)C1 230779418 RTMXZYUAKSTQGM-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE CC(C)(C#N)CCCCNc1c(F)cc(F)cc1Cl 232514231 JGRLOJIUELCJMW-UHFFFAOYSA-N 286.753 4.750 30 10 CJEE CCCCCCCC[C@H]1CNc2ccc(OC)cc21 232929869 DBDGWZOHKGGHOU-AWEZNQCLSA-N 261.409 4.955 30 10 CJEE CCCCCCCCOC(=O)c1cc(S)ccc1C 232956283 RFKGSYJWXYVVNU-UHFFFAOYSA-N 280.433 4.801 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccnc(C)c1 232957445 PYARFQYZGIRTQV-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE C=CCCCCCOc1ccc(C)cc1[C@H](C)NCC 233517207 LHCRPHZYSSALRX-INIZCTEOSA-N 275.436 4.791 30 10 CJEE Cc1cc(C)cc(N=Cc2c(O)ccc3ccccc23)c1 252460744 HVPBPQZLDPVDRG-UHFFFAOYSA-N 275.351 4.913 30 10 CJEE CC[C@H](C)c1ccc([C@H](C)CC=O)cc1Br 258815320 YJKHNGHMEMXOHA-WDEREUQCSA-N 283.209 4.655 30 10 CJEE Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1C#N 300437378 CLBRXDQQFCHQBF-OWCLPIDISA-N 268.404 4.638 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCCC(F)(F)C2)C1 306053245 WUCRUDSLHKZGJR-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H](CC)c1ccccc1 312249892 VLYYLBAXNJUSKE-ZWKOTPCHSA-N 271.448 4.598 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2F)C1 316623340 BHYVNJDHCFSZTI-WBMJQRKESA-N 282.786 4.807 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC(F)(F)c1ccccc1 316630757 MXZFVSKOYSOJRV-ZFWWWQNUSA-N 266.331 4.564 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2Cc3ccccc32)C1 316918520 WOPIXRFUQFNQCQ-HFTRVMKXSA-N 256.389 4.502 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316923077 ZZPDDAPBZQATNR-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C[C@H](C[C@]1(C=O)CCc2ccccc21)C1CCCCC1 317426030 OUNNEASXHQJFSU-BEFAXECRSA-N 270.416 4.676 30 10 CJEE C=C(C)C[C@@]1(CNC(C)(C)C)CCCc2ccccc21 318522552 IHTHNQSECGTEGC-LJQANCHMSA-N 271.448 4.615 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cccc2ccsc12 386626216 KOXFPYQNBAZZBC-INIZCTEOSA-N 285.456 4.992 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cccc(Cl)c1F 387449705 MQUMNZFOXBILIP-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE Cc1cc(SCC2(CS)CCC2)nc2ccccc12 389443669 UHQWQYHZGLGQAE-UHFFFAOYSA-N 289.469 4.735 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cc(C)cc(Cl)c2)cc1 395175691 CCMLRANEBHMROP-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE Fc1cc(F)c(SC(F)(F)F)c(C(F)F)c1 396100234 MCEBPOSZDHHDIQ-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(SC)cc1 398190106 RDNURSYRSBADPM-ZIAGYGMSSA-N 263.450 4.804 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@H]2C1)NC 403314049 CBXSPPQVRROKOA-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C#CCCCCC[C@H](NC)[C@H]1CCCC[C@H]1C(F)(F)F 686689838 UYHIZAFHPYPZHJ-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ncc(C)cc1C 689395362 RQQJBEIQIIWLJL-QGZVFWFLSA-N 276.468 4.580 30 10 CJEE CCCCCCCCC(=O)c1cc(COC)cs1 689957214 ATDANEYUZUJSEX-UHFFFAOYSA-N 268.422 4.828 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(C#N)Nc1cccc(F)c1 691088879 LGABRGNWYMYNIZ-IAGOWNOFSA-N 274.383 4.736 30 10 CJEE CCCCCCCCC[C@@H](O)CCNCc1ccccc1 696370496 HWULDOYUPUVRQZ-LJQANCHMSA-N 291.479 4.668 30 10 CJEE N#CC1(CCCOC2CCCC2)CCCCCCC1 699957761 IBPCWGAWFBICNC-UHFFFAOYSA-N 263.425 4.980 30 10 CJEE C=CC(C)(C)CCNc1nc(C(C)(C)C)nc(Cl)c1C 701882556 SFOCEARKYXNLJA-UHFFFAOYSA-N 295.858 4.750 30 10 CJEE CCCCCCCCCC[C@H](NCC)C1CC(OC)C1 703451914 JWMFGMNGWZXIPD-ABHNRTSZSA-N 283.500 4.920 30 10 CJEE CCCCCCCN[C@H](c1ccccc1)C(F)(F)F 703748600 OVLLMEDCSGTCFL-CQSZACIVSA-N 273.342 4.850 30 10 CJEE C[C@H](c1ccco1)N(C)CCCCCCCCCS 707155706 NWHUGSUZLJYTHR-OAHLLOKOSA-N 283.481 4.933 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@H]2CCCC[C@H]21 709022468 IQYULSXODWMRIH-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc2c(n1)CCCC2 712323148 PULXOPVOIBOBJE-HOCLYGCPSA-N 270.420 4.507 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CC(C)(C)CC[C@H]1C 713077296 IQMOAJCJBFUDOJ-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE C=CCCCCCN1CCc2cc(Br)ccc21 713329578 ZUHALTFVKQUWGV-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE CCC[C@@H]1CCS/C(=N/CC2(CC(C)C)CCCC2)N1 716846583 QWDVZEPFFMFQSZ-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)C[C@@H](C)CO1 718493152 SUIDOKXISPCLGL-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1CCC(SC)CC1 720490231 GPMFOMAEAKDQDF-OFLPRAFFSA-N 295.536 4.716 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC(F)(F)C2)CC1 724576099 SURCRRWBIAYGEW-CVEARBPZSA-N 285.422 4.927 30 10 CJEE C=C1CCC(C[C@@H](NN)C2(CC(C)C)CCCC2)CC1 724590938 ZLXIPCPWDYLADZ-QGZVFWFLSA-N 278.484 4.561 30 10 CJEE C=C1CCC(C[C@H](C[C@H](C)C(C)(C)C)NC)CC1 724616694 LTANOWBBRDAQKM-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@H](C[C@@H](C)C(C)(C)C)NC)CC1 724616695 LTANOWBBRDAQKM-ZBFHGGJFSA-N 251.458 4.783 30 10 CJEE CC1(C/N=C2/N[C@H](C3CCCC3)CCS2)CCCCC1 725079996 GFNSSMZYNMIZMV-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE Cc1ccc(C#Cc2ccc(C)c(C)c2)c(Br)c1 725380123 IOCYHWILUAYLGA-UHFFFAOYSA-N 299.211 4.774 30 10 CJEE C=CCN(C(=O)CCCCCC(C)C)c1ccccc1 1124819406 ISIBNVWETKDGOK-UHFFFAOYSA-N 273.420 4.812 30 10 CJEE C=CCN(C(=O)CCCCCCCC)c1ccccc1 1124819971 YMAZVXMOWHGMSQ-UHFFFAOYSA-N 273.420 4.956 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2ccc(C)cc2)CCCCC1 1124864590 UVRPIIXJNQKGGF-INIZCTEOSA-N 285.431 4.699 30 10 CJEE C=CCCCC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 1127762615 MQLSXNJWARNREV-GOSISDBHSA-N 285.431 4.660 30 10 CJEE C=CCCCC(=O)Oc1cc(C)c(C(C)(C)C)cc1C 1132663563 DSVUWSWSYKUGOT-UHFFFAOYSA-N 274.404 4.863 30 10 CJEE C#CCCCCCCN1CC2(CCC2)c2c(F)cccc21 1167674629 MSVXDFJKNOEJFC-UHFFFAOYSA-N 285.406 4.651 30 10 CJEE C=CC(C)(C)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 1181819546 WWHGHGWMCHLDIH-LBPRGKRZSA-N 285.353 4.611 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)CC(C)(C)C 1313001628 LJGUPLLJPKARRE-LSDHHAIUSA-N 294.483 4.635 30 10 CJEE C=CC1(CC(=O)N(C)[C@H]2CCCC[C@H]2C)CCCCC1 1353021784 KGNQARLXVWPJRY-CVEARBPZSA-N 277.452 4.550 30 10 CJEE C=C(CC)CN(OC)[C@@H](C)c1cccc(C(F)(F)F)c1 1460809637 RARVFHZSKNOIMX-LBPRGKRZSA-N 287.325 4.596 30 10 CJEE C=CC[C@@H]1N(Cc2ccc3c(c2)CCC3)CCCC1(C)C 1473432731 OILTVJCOLMJLBU-IBGZPJMESA-N 283.459 4.742 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1cc(C)ccc1Cl 1476279574 GRXRJNFLJFJJEZ-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C/C1CCCCCC1 1538733421 PDIIWGFVHJOYKS-CCEZHUSRSA-N 277.452 4.718 30 10 CJEE C=CC[C@H]1N(C(=O)CCSCCCC)CCCC1(C)C 1542578243 FMSKSWYEJCDVKZ-OAHLLOKOSA-N 297.508 4.503 30 10 CJEE C=C(C)c1cccc(Nc2cc(O[C@@H](C)CC)nc(C)n2)c1 1559297410 DDGFHEYRLINZAY-ZDUSSCGKSA-N 297.402 4.739 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1cc2ccccc2o1 1559498994 FCMYUOWSYYCNJA-AWEZNQCLSA-N 257.377 4.782 30 10 CJEE C#CCN(C[C@@H]1CCCC(C)(C)C1)[C@H]1CCc2ccccc21 1560701623 PQGLYLWWGCIKCB-XLIONFOSSA-N 295.470 4.826 30 10 CJEE C=CCCCN(CC)Cc1ccc(Oc2ccccc2)o1 1561037761 SRFBYSDPPQBDTP-UHFFFAOYSA-N 285.387 4.860 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCCC1(C)C 1586320215 OKRRLPGBFZQPES-TWMKSMIVSA-N 291.479 4.652 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H](CC(C)C)c1ccccc1 1588062716 CHBXXSKSDWLASJ-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=CCCCCCCCNC(=O)c1cnc(C(C)C)s1 1596318624 TXGUBDFFIOGVID-UHFFFAOYSA-N 294.464 4.523 30 10 CJEE Fc1ccc(F)c(C#Cc2cc(Cl)cc(Cl)c2)c1 1614731003 MDLVHTOPTHVQGO-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 1621307709 ROKNEVYJYYBQAB-BEFAXECRSA-N 282.431 4.660 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](CC)c1cc(C)ccc1C 1624321461 YLBWOIWEOJRGLV-GOSISDBHSA-N 285.431 4.639 30 10 CJEE C=C(C)C(C)(C)C(=O)Oc1ccc2ccc(C)cc2c1 1627243010 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1658042474 DBQBRWSETHFZTC-GDBMZVCRSA-N 298.257 4.562 30 10 CJEE C=CCCCC[C@@H](C)NCc1coc2ccccc12 1664806017 UNIQDSFNXGQYOR-CQSZACIVSA-N 257.377 4.657 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cc(Cl)ccc1C 1665612301 KDAXTHTXPFBZGL-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CCN(C(=O)Nc1cccc([C@@H](C)CC)c1)C(C)C 1673194414 GHLWNJQVHHWVBL-AWEZNQCLSA-N 274.408 4.628 30 10 CJEE N#Cc1cc(F)cc(-c2ccc(Cl)c(Cl)c2)c1 1848376512 FAOBVKXHEOCYTI-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C[C@@H]1C[C@@H]1CCC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1876928543 KZGPTBRZKWGROE-SCVCMEIPSA-N 296.197 4.606 30 10 CJEE CC#CCCCC[C@H](NC)C1CC2(CCCCC2)C1 1885228037 LCMWFLNBNQWGNR-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C#CC[C@H](C[C@](C)(CCCC)CNCCC)C1CC1 1887452345 KMBKOQANWJDTJX-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1scnc1Cl 1888705817 PPFIATAIVBIESY-ZDUSSCGKSA-N 292.835 4.551 30 10 CJEE C=C[C@@H](C)C[C@@H](O)c1c(Cl)cc(C)cc1Cl 1905153517 QREUOYCGWHFOMD-PRHODGIISA-N 259.176 4.547 30 10 CJEE 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283.500 4.907 30 10 CJEE C=CCCCCCC[C@H](OCCCN)c1cscc1F 2294020150 DDOXHURIPLCWFA-INIZCTEOSA-N 299.455 4.820 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CC2(CCOC2)C1 2295678679 IRWRDQIORFXNDG-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H](C)C(C)C 2295682312 OXSNXNKXXJPPBY-SQNIBIBYSA-N 285.516 4.888 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cc(Cl)cs1 2301051065 QJQGCSMDDKPTTP-AWEZNQCLSA-N 269.841 4.821 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1sc(Cl)cc1OC 2304062754 ONXVUJCSAANDNW-CYBMUJFWSA-N 272.797 4.585 30 10 CJEE CC1(C)CC(CS)(CSc2ccc(F)cc2)C1 2304513294 CLTVNYKUIOWBGH-UHFFFAOYSA-N 270.438 4.654 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCC[C@@H]2C[C@H]12 2308633211 MPOZZSMANMVTCN-VQHPVUNQSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1C#N 2313687791 ARQSZEKEDWYWKT-UHFFFAOYSA-N 281.783 4.964 30 10 CJEE C=C[C@@H](C)CCNc1cc(Cl)nc2ccccc12 2321120948 OULOEFTXIQLKPL-LLVKDONJSA-N 260.768 4.512 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(F)cc1Cl 2321148368 OPJKVHNRKDAAEW-LSDHHAIUSA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cscc1C(F)(F)F 2321223969 IZCDCGNKNJNEBM-NWDGAFQWSA-N 278.339 4.793 30 10 CJEE CC1(C)CC(CS)(COC2CC(C(C)(C)C)C2)C1 2321756012 YWWOIDFLSJBPQX-UHFFFAOYSA-N 270.482 4.564 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1C[C@@H](C(F)(F)F)C1 2327674961 GHDVGIZGYCYIMW-XQQFMLRXSA-N 265.363 4.653 30 10 CJEE C=CCCC[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2332780853 HJRZHIDFTZDZMG-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)NCc1cccc(C(C)(C)C)c1 2335101543 VXUGCPUZWJGIST-UHFFFAOYSA-N 257.421 4.595 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335112761 RHTGJUKZTVOPHF-XHDPSFHLSA-N 281.827 4.520 30 10 CJEE C=CCC(CC=C)[C@](O)(CC(C)C)c1ccccc1 2338747525 QQLNGWKYSTZLMI-GOSISDBHSA-N 258.405 4.689 30 10 CJEE CCc1ccc(C#N)c(N(C)c2ccccc2Cl)c1 2339114855 UYTGRFIORSKNHO-UHFFFAOYSA-N 270.763 4.542 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@]1(C)CC=CCO1 2339838181 ICXAQXFLWIRUTG-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CSc1cccc(N[C@H]2CCC(C)=C(C)C2)c1C#N 2343422156 DBVKJOJOLSXPFX-ZDUSSCGKSA-N 272.417 4.581 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC12CCC2)NCCC 2344336697 LBDPRBNOKNKSJW-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@@H]1CC[C@@H]1C1CC1)NCCC 2344369623 RUTUQWNBQQXQJR-OWLYRPNTSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC#CCCCCC)NCC 2344373714 CFDRJGMFFBDSQM-ZWKOTPCHSA-N 263.469 4.931 30 10 CJEE CC1(C)CC(CS)(COCC[C@H]2CC[C@H]2C2CC2)C1 2345010658 NEBYLYDSOBJBOZ-CABCVRRESA-N 282.493 4.566 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1C[C@@H](C(F)(F)F)C1 2352763418 PHBYFZZBZIPSAM-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE CSc1cc(N[C@@]2(C)CCC(C)(C)C2)ccc1C#N 2353826344 MKHBAEMHGUUCQR-INIZCTEOSA-N 274.433 4.661 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(C)(C)C[C@](C#N)(NC(C)C)C1 2360333561 MEDBJZYAAIWOEN-ZMSDIMECSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)N[C@@H]1CCC(C)(C)c2ccccc21 2360344414 SLZJCRGLUDFOLH-GOSISDBHSA-N 269.432 4.910 30 10 CJEE C=CC[C@H](O)[C@](CC=C)(c1ccccc1)c1ccc(C)cc1 6788539 OSKIJTKKSVPDBV-LEWJYISDSA-N 292.422 4.794 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1cccc(Cl)c1Cl 37936907 YQHYVRBSOFQYOR-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE C=CCn1c(-c2ccc(Cl)c(Cl)c2)c[nH]c1=S 38493040 XJYPZAHJQCKFKU-UHFFFAOYSA-N 285.199 4.705 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@](C)(C#N)NC(C)C 45323942 GDBWEYRVABRQKD-QZTJIDSGSA-N 296.499 4.812 30 10 CJEE C[C@H]1CCC[C@]2(CS/C(=N\c3ccccc3Cl)N2)C1 53099251 SMSOFLDPWREIBJ-XHDPSFHLSA-N 294.851 4.613 30 10 CJEE CCc1ccc(OC)c([C@@H](C#N)Cc2ccc(Cl)cc2)c1 57723862 YZSMVNPWWGMOSB-OAHLLOKOSA-N 299.801 4.761 30 10 CJEE CCCC[C@](C#N)(CC)Nc1cccc(Br)c1 69381348 ORNQZHYASXUAMD-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE CCc1oc(-c2cccc(OCC(C)C)c2)cc1CC#N 77077037 QERGBKUEOUZTGF-UHFFFAOYSA-N 283.371 4.610 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@H](C2CC2)C1 81631515 DLFXOQGRORMPAQ-WFASDCNBSA-N 274.795 4.592 30 10 CJEE CCOc1cc(C)c(C(=O)/C=C/c2cccs2)cc1C 83193699 TVBTUXUDKAGIEI-BQYQJAHWSA-N 286.396 4.660 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Br)s2)C1 83791704 JCNTVJDCFPMLKA-MFKMUULPSA-N 298.249 4.773 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cccc(OCCCC#N)c2)CC1 86888277 KAMQBOWWXBVLMG-CVEARBPZSA-N 286.419 4.750 30 10 CJEE CC(C)[C@@H](CS)COc1cc(Cl)cc(Cl)c1 87080683 OQIGIGHBYBKMJA-SECBINFHSA-N 279.232 4.574 30 10 CJEE C[C@H](CCS)CCN(C)[C@@H](C)c1ccc(Cl)cc1 94579666 CHHURPKHQAISHG-STQMWFEESA-N 285.884 4.679 30 10 CJEE CC[C@H]1CCCC[C@H]1OCC1(CS)CCCCC1 94583632 KWKNVPVPGZHPTP-LSDHHAIUSA-N 270.482 4.852 30 10 CJEE C#CC[C@H](CC)c1cc(C)c(C)cc1Br 107479860 AHQIMUJMLXKDSX-LBPRGKRZSA-N 265.194 4.583 30 10 CJEE CCCCCCCCOc1cccc(C[C@H](N)CC)c1 109764325 XVEAAEQVCKNCHA-QGZVFWFLSA-N 277.452 4.706 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@H](C)CC[C@@H]2C(C)C)cc1 110028527 SXCGPNCXCKKWDY-KBAYOESNSA-N 270.420 4.762 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H](C)c2cccc(Cl)c2)c1 110258517 QZCYYAPKRMYKOU-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE Cc1ccc(C#N)c(Oc2ccccc2C(F)(F)F)c1 110260210 PXQIGRJOFKXLIE-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NC[C@@H]1C(C)(C)C 114060031 OVCBPCAOJLFOLS-ZWKOTPCHSA-N 296.543 4.691 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(Br)o1 114509889 VQONGGQYQQXIKT-NSHDSACASA-N 289.213 4.826 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)COC2 115062321 VDTWIENMYDKXIT-UHFFFAOYSA-N 260.377 4.650 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCc2ccccc21 115842827 IOKRJFVGGIGIKC-MSOLQXFVSA-N 260.421 4.828 30 10 CJEE CCCCCCCCCCCc1nnc([C@H](CC)NC)o1 115862071 FTBOHKHBGSSRRE-HNNXBMFYSA-N 295.471 4.813 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(C)cn1)NCC 117690720 RPCDXIGIHLBWAV-KRWDZBQOSA-N 276.468 4.661 30 10 CJEE CCCCCCC[C@@H](NC)C1(N2CCCCC2)CCCC1 118178972 GYMWUTFJOAZQNN-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@@H](NC)C(C)(C)OC 118395488 DLPSZMIDYPQMQL-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(Cl)ccc1OC 122398155 LXFSQDWYPNNQED-OAHLLOKOSA-N 298.858 4.604 30 10 CJEE CCSc1cccc(N[C@H](C)C(C)(C)C)c1C#N 122781332 GIRLTPMLWPTQSP-LLVKDONJSA-N 262.422 4.517 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 124771643 JTOXWJRTTZUTBX-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OCC)nc1 127467517 ACMSWGIDZSSQEH-AWEZNQCLSA-N 264.413 4.641 30 10 CJEE CC#CC[C@H](NCCC)[C@H](c1ccccc1)[C@@H](C)CC 130835276 WLZHRMIEMXUUET-WDSOQIARSA-N 271.448 4.598 30 10 CJEE CCCCCCCCNc1c(F)cc(F)cc1[N+](=O)[O-] 132414875 IWLUVLWHKZMFSO-UHFFFAOYSA-N 286.322 4.645 30 10 CJEE CCCCCCCOc1cc(CNC(C)C)c(Cl)cn1 132501933 GIODMERFGGYWBY-UHFFFAOYSA-N 298.858 4.582 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(C)c1)C1CCCCC1 132660835 NZNXDLMIGFHSTO-QGZVFWFLSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCOc1ccc([N+](=O)[O-])c(F)c1 133540486 GAEQURIIHPDQGZ-UHFFFAOYSA-N 283.343 4.863 30 10 CJEE CCCCCCCC[C@@H](NC)[C@]1(C)CCCS1 140390113 ODPVHDFQGUBDEG-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)cc1C 147540370 GJNUZPKQVPYHLI-INIZCTEOSA-N 251.389 4.885 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@H]1Nc1cc(Cl)ccc1C#N 155868583 LHEBDYNISZCLTG-FZMZJTMJSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@@H](NC)C1(OCC)CCC(C)CC1 158453114 NKXBUHOBUPLPGG-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](CC(CC)CC)NN 160563581 NUWIHWSJNSJUGJ-INIZCTEOSA-N 256.478 4.785 30 10 CJEE C=CC[C@@H](C)N[C@@H](c1ccccc1)C1CCCCC1 162645219 XBPBIFWQLOCHBJ-QAPCUYQASA-N 257.421 4.862 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1OCC[C@H]1C 165078214 XSGNLGZZBSTWKY-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE CCCCCCCCOc1c(C)cccc1CNCC 165189099 RSSAPAMWRKMYSP-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE Cc1cc(C#N)ccc1Oc1cccc(C(C)C)c1 203442895 QHTHGFFRQSZNQT-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCC[C@@H]1C(C)C 214543188 PNTAOKDCGUMFRW-GDBMZVCRSA-N 274.383 4.633 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(C#N)Nc1cccc(Cl)c1 214749527 ACCYMPVFMZZRLB-JKSUJKDBSA-N 276.811 4.860 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228552039 HLZNOWWZXBCBOD-YVEFUNNKSA-N 289.806 4.537 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2F)C1 228876480 MQILHYBWXAUNSV-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CCCCCCCC[C@H](Cc1ccco1)NCC 229196453 DNYBTUITWVOTDX-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCCCCCCCCn1ccc2ccc(CO)cc21 229688695 DSQMWXBJDCSQJD-UHFFFAOYSA-N 273.420 4.884 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2sccc2s1 229736201 RZNGOWSIPOQYEC-LLVKDONJSA-N 265.447 4.970 30 10 CJEE CCCCCCCCn1ccc2cc(CCN)ccc21 229741157 BPBMGSMTXANXSM-UHFFFAOYSA-N 272.436 4.503 30 10 CJEE CCCCCCCCCCNC1=N[C@@H]2CCC[C@@H]2CS1 231342893 FMNRTYNKCIHBIJ-HZPDHXFCSA-N 296.524 4.988 30 10 CJEE CC[C@@H](C)CSc1ccc(C(F)(F)F)c(C#N)c1 233857537 GFSVWDPDAIZISI-SECBINFHSA-N 273.323 4.715 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 233947990 QHIZMMWCEFIRLB-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE C=CCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 236314895 QXOJPWJOEAFYFQ-CYBMUJFWSA-N 286.246 5.000 30 10 CJEE C=CCCCCC[C@H](C(=O)O)c1ccccc1Cl 236436149 SUSNIGZACODROD-ZDUSSCGKSA-N 266.768 4.645 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](CC)NC[C@H]1C 250835548 UTBFJIKNBHXLMA-RTBURBONSA-N 296.543 4.980 30 10 CJEE CC(CCc1ccc(OC2C[C@@H](C)C[C@H](C)C2)cc1)=NO 252472981 RTGIWGGSSYEONK-KBPBESRZSA-N 289.419 4.673 30 10 CJEE CC(C)c1ccc([C@](C)(C#N)Cc2ccccc2)cc1 259661764 TXXGXEZZAKEZRP-IBGZPJMESA-N 263.384 4.834 30 10 CJEE CCn1c([C@@H](C)CC#N)cc2ccc(C(F)(F)F)cc21 260073210 PVEIMZXGDCTQNB-JTQLQIEISA-N 280.293 4.697 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]2CC[C@H]1C2 300255914 DPPCCGCBTVAVHR-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](C)CSC 306017414 PQFHAAWQNDXKBA-CABCVRRESA-N 260.487 4.877 30 10 CJEE C=CCCCN[C@H]1c2cc(Cl)ccc2CC1(C)C 310711690 LHSFPLILCUYQCR-HNNXBMFYSA-N 263.812 4.519 30 10 CJEE C[C@H](C1CCCCC1)[C@@H](C#N)Nc1ccc(Cl)cc1 311691007 KIOPCAUZYVSLPG-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CCC1 322347386 COXNTGVEOYVOLY-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@@H]1CCCCO1 379218094 IHMCGNRUSUTASC-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1csc(Cl)c1 382105973 PRFGVLIMHYAVHI-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE CCCCCCC[C@@H](NCCC)C1CC(F)(F)C1 383350756 AUSXHRGTTZRNFW-CQSZACIVSA-N 261.400 4.760 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1cc(Cl)ccc1Cl 385084112 XBRWYEXNALXIAK-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE C=CC[C@H](CNCCC)Cc1csc2ccccc12 387014011 RDBCJCAGRDBHPY-AWEZNQCLSA-N 273.445 4.636 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1CC(C)C 388224204 PURONMQGOBAWHB-ULQDDVLXSA-N 268.489 4.641 30 10 CJEE C[C@H](CNc1ccc(C(C)(C)C#N)cc1)C(C)(C)C 388465701 BTOMIFQZPBQAIB-CYBMUJFWSA-N 258.409 4.582 30 10 CJEE C=C(CC)COc1cc(C)c(Br)c(C)c1C 390523992 IBOJPGSCDMQOCO-UHFFFAOYSA-N 283.209 4.719 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@@H](C2CCCCC2)CS1 391367869 PNSMAJWCSKSQAT-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2cc(Cl)cc(Cl)c2)O1 393842711 ACXXAOBWTVZDID-OLZOCXBDSA-N 270.159 4.517 30 10 CJEE N#C[C@H](CSc1nccc2ccccc12)C1CCCC1 401447253 JCSIPGMPUQDEOR-OAHLLOKOSA-N 282.412 4.657 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@@H]1NC 403486109 ZSDHGRAYGDPPRB-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE N#CC1(CNc2c(Cl)cc(F)cc2Cl)CCCC1 405164933 SHEVUAYNOFWASA-UHFFFAOYSA-N 287.165 4.628 30 10 CJEE C[C@](C#N)(C[C@@H]1CCCC(F)(F)C1)c1ccccc1 405571711 CTZULAZCGRIONH-DZGCQCFKSA-N 263.331 4.683 30 10 CJEE CC(C)C[C@H](NCC1CCC(C#N)CC1)c1cccs1 442864546 CYYAFBXIKQHSPT-GPANFISMSA-N 290.476 4.755 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCC[C@H](OC)C1 686350429 CBEIZXHSVMCZPE-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1C[C@@H]1CC(C)C 686687715 VODQUZGDHQRMCJ-BZSNNMDCSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@@H]1CCCC[C@@H]1CNCC(C)C 686693354 RSUMKDVXAMUGFU-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE Cc1cccc(C#N)c1Nc1cccc(SC(F)F)c1 690186654 PJMYKXUIQUSADS-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE C=CCCCCCCNc1cc(C2CC2)nc(Cl)n1 692639978 SMIUOWGYRYOVTM-UHFFFAOYSA-N 279.815 4.556 30 10 CJEE C[C@@H](CC(C)(C)C#N)SCc1ccccc1Cl 695888851 ASCZYNOBZWXPGY-NSHDSACASA-N 267.825 4.902 30 10 CJEE C=C1C[C@H]2CC(NCC[C@@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697316963 ZSXQTJZFIVNCIB-KLWXTTHGSA-N 273.464 4.537 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CC(C)(C)C1 701488871 KWMZCOKUKOZHAM-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE Cc1cc(C)cc(CSCc2ccc(C)c(C#N)c2)c1 701837300 GDSFFCMENUXAHY-UHFFFAOYSA-N 281.424 4.917 30 10 CJEE C[C@@H]1C[C@@H](NC[C@H](C#N)C2CCCCC2)CC(C)(C)C1 708266726 JIFFCKGABCSPLI-HYVNUMGLSA-N 276.468 4.511 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](C)[C@H]1CCCCO1 711873369 NWQDAQKVBGIJRV-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE C=CC[C@@H](C)[C@@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 715750435 UIJMUIPWKJIDRR-ACJLOTCBSA-N 273.464 4.683 30 10 CJEE CCCCCCC[C@]1(C)[C@H](C)C(=O)NC1(CC)CC 721782771 WPXPGRJDPSFGBV-GDBMZVCRSA-N 267.457 4.678 30 10 CJEE O=C(CCc1cc(Cl)cc(Cl)c1)C1=CCCCC1 722135035 KFOHTFCRMWCZIP-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC12CC2)NCC 723183155 QDKORVFYPMDQDU-CVEARBPZSA-N 251.458 4.905 30 10 CJEE Cc1ccc(NN=C2CCCC[C@@H]2c2ccccc2)nc1 727259876 MHSAGBQSGSSWIM-MRXNPFEDSA-N 279.387 4.516 30 10 CJEE C=CC[C@H](OC(=O)[C@H](C)c1ccsc1)c1ccccc1 778746461 YAVUEPOFCPYSQQ-CJNGLKHVSA-N 286.396 4.712 30 10 CJEE C=CCCCCCCNC(=O)N1[C@H]2CC[C@H]1c1ccccc12 807569768 KPFWRMHYSPDBJV-ROUUACIJSA-N 298.430 4.724 30 10 CJEE C#C[C@@H](NCc1ccsc1Cl)c1ccc(Cl)cc1 811516058 COQHBSGBFHLDFA-CYBMUJFWSA-N 296.222 4.519 30 10 CJEE CC/C(=N\OCc1ccccc1Cl)c1ccccc1 821218163 VPCVGJOJBSIOAL-FBMGVBCBSA-N 273.763 4.671 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccccc21 821997794 YDLXJYKYOGCGBT-BHIYHBOVSA-N 269.432 4.789 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]1CC=C 931059605 MVWULAUUWXZFNO-INIZCTEOSA-N 298.430 4.721 30 10 CJEE C=CCC[C@@H](C(=O)N(CC)C[C@@H](C)CC)c1ccccc1 1126766621 CZHFWRZLEHRAFL-FUHWJXTLSA-N 287.447 4.631 30 10 CJEE C=CC[C@H](C(=O)O[C@@H](C)c1ccc(C)cc1)c1ccccc1 1127094434 IQBGDFNJAYMTMI-LPHOPBHVSA-N 294.394 4.959 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C 1127429158 BXOCEOIBUVXRGQ-TUKLDCIKSA-N 291.479 4.866 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](CCC)CC2CCCCC2)cc1 1134904139 LFWYCNBOUWAXDM-SFHVURJKSA-N 297.442 4.993 30 10 CJEE C#C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(Cl)cc1 1182153047 WOCISNWPNNKKIX-LJQANCHMSA-N 295.813 4.682 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H]2CCCC[C@H]2C2CCCCC2)CC1 1183641604 DCCFAMCUVPQFLQ-LEAZDLGRSA-N 287.491 4.907 30 10 CJEE C=CCCCC[C@H](C)Nc1ccccc1O[C@@H](C)C#N 1204938597 RDQGPBPARXOAFM-GJZGRUSLSA-N 272.392 4.524 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2ccccc2C)C1 1205568903 OYHWZKFUAATGSZ-BZSNNMDCSA-N 271.448 4.966 30 10 CJEE C=CCCCCCCNC(=O)NC1CCC(C(C)C)CC1 1223445092 UXXRCKZHKMVHSQ-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1ccccc1)C(CC)CC 1264510441 QGGWUCOWJJDACW-BEFAXECRSA-N 287.447 4.882 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC1CCCCC1 1278999778 WUDFZNKORYOCJV-KBAYOESNSA-N 291.479 4.844 30 10 CJEE C=CCCCC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 1288261939 DBRBBEPPSKFASY-ZDUSSCGKSA-N 289.272 4.554 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc([C@H](C)C(=O)OC)c1 1308814867 BUONZGDXHZIION-GOEBONIOSA-N 289.419 4.510 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(C2CC2)cc1 1310487829 SVMYLUDUXOJHKB-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=C[C@H](OC(=O)CCCC(C)(C)C)c1ccccc1 1461546729 CWTBPFHCKQAYGK-HNNXBMFYSA-N 260.377 4.673 30 10 CJEE C=CC[C@H]1N(C[C@@H]2CCc3ccccc32)CCCC1(C)C 1462159028 YMLWKNFLNVRXLO-PKOBYXMFSA-N 283.459 4.783 30 10 CJEE C=C1CCC(CNC[C@H](C)c2cccc(Cl)c2)CC1 1462568446 VGJFMDILQUWDTC-AWEZNQCLSA-N 277.839 4.780 30 10 CJEE C=CCCCCCCCNC1C[C@@H](C)C[C@H](C)C1 1474168181 RRHHROGSQSPGGU-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)Cc1ccc(Cl)cc1 1474642553 PKOMWUALHQGVEA-INIZCTEOSA-N 279.855 4.853 30 10 CJEE C=CC1(CC(=O)Nc2ccccc2OCC)CCCCC1 1521760478 GFJBNIMPPZPKFZ-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2ccc(SC)cc2)CC1 1523772820 IRJBYSQDPJIYLG-ZDUSSCGKSA-N 290.428 4.759 30 10 CJEE C#CC[C@@H]1CCCN(C(=O)[C@H](C)CCCCCCCC)C1 1529683849 LSGCPTSWXZAWLO-QZTJIDSGSA-N 291.479 4.635 30 10 CJEE C=C1CCC(C(=O)N(C)c2ccc(C(C)C)cc2)CC1 1544003749 ZGJRVSBBPWWWSP-UHFFFAOYSA-N 271.404 4.519 30 10 CJEE C=CC(C)(C)NC(=O)N[C@H](CCCCC)c1ccccc1 1563927211 JTICRWAWRLQWGV-MRXNPFEDSA-N 288.435 4.572 30 10 CJEE C#C[C@@H](NC(=O)[C@@H](C)CCCCCCCC)c1ccccc1 1584694156 QFKJYDFFKDJBIP-PKOBYXMFSA-N 299.458 4.864 30 10 CJEE C=CC[C@@H]1CCN1C(=O)[C@@H](C)CCCCCCCC 1603353464 ZBVQEHDBWPNAJY-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE C=CCCSc1nc2ccccc2n1-c1ccccc1 1613205309 MAOGJTBTAZRPSJ-UHFFFAOYSA-N 280.396 4.694 30 10 CJEE C=CCCCCCN(C)Cc1cccc(OC)c1Cl 1615600418 JCBGMRNDFPHHKE-UHFFFAOYSA-N 281.827 4.527 30 10 CJEE C=CCCCCCSc1nnc(C)n1C1CCCCC1 1640606702 UJGSCJLDBKRIAK-UHFFFAOYSA-N 293.480 4.930 30 10 CJEE C=CCCCN(Cc1ccco1)c1ccc(Cl)cc1 1642142057 JGMDYFLVWFXFGG-UHFFFAOYSA-N 275.779 4.906 30 10 CJEE C=CCCCCCN(C)Cc1sccc1Cl 1644669084 CGVDOTKWXNOWRF-UHFFFAOYSA-N 257.830 4.580 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3c(C)cccn3c2)c1 1653376625 WQJNAUBKBNCARI-UHFFFAOYSA-N 290.366 4.533 30 10 CJEE C=CCN(CCc1ccco1)C[C@H]1CCCCC1(C)C 1653916860 SXMXALRNMZZROR-MRXNPFEDSA-N 275.436 4.527 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccccc2)CC1(C)C 1654959144 JZKPFPVRPHELKI-LJQANCHMSA-N 283.459 4.838 30 10 CJEE C#Cc1cccc(N(CC)CC[C@H]2CCc3ccccc32)c1 1657774646 NMEZZHJZRJRYBM-LJQANCHMSA-N 289.422 4.614 30 10 CJEE C#C[C@@H](N[C@H](C)Cc1cccc(C)c1)c1ccc(Cl)cc1 1659929336 KGJRASIJRQQUBQ-DNVCBOLYSA-N 297.829 4.544 30 10 CJEE C=CCCCCCCNC(=O)N(C)C1CCC(C)(C)CC1 1682209494 OVOXMZSMRDFISS-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE N#Cc1c(Cl)cccc1-c1cccc(OC(F)(F)F)c1 1848362098 BYQSEIZSVKZMFW-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC2(CCC2)C1 1882663892 KOYKQXLBWSBJCI-UHFFFAOYSA-N 269.432 4.645 30 10 CJEE C=C(CN(C)[C@@H](CC)CCCCC)c1ccccc1 1883358174 BKBREDSKWOYERK-SFHVURJKSA-N 259.437 4.991 30 10 CJEE Cc1cc(Cl)cc([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)c1 1885274598 NISXNJYGXOULNF-UONOGXRCSA-N 292.615 4.598 30 10 CJEE C#CC[C@@H](C)C[C@H](Cc1ccc(Cl)cc1Cl)NCC 1887464331 MIJLUEQPCRWRNS-IUODEOHRSA-N 298.257 4.564 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1sccc1F 1888682136 LPSBROHRUUKHRS-OAHLLOKOSA-N 275.392 4.641 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1ccc(Cl)c(Cl)c1 1888705358 JXQGFHNYVOGAKQ-INIZCTEOSA-N 292.209 4.881 30 10 CJEE C=CCCCCCC[C@@]1(O)CC[C@H]1OCc1ccccc1 1906544735 FMNSUDCMRCZZMQ-RTBURBONSA-N 288.431 4.623 30 10 CJEE CCCCCCCCN(Cc1ccccc1)C[C@H](O)CC 1915076563 PMYWAGXUVLDUGW-LJQANCHMSA-N 291.479 4.620 30 10 CJEE N#Cc1cnc(N[C@H]2CCCC3(CCCC3)C2)c(Cl)c1 1917236839 XANJAQSAXTVZND-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE CCCCCCC[S@](=N)(=O)Cc1ccccc1C 1917857943 MEXNUXYRDLBEGN-SFHVURJKSA-N 267.438 4.512 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)[C@@H](C)CC 1917954938 KIRPTCAXHAXHIO-YOEHRIQHSA-N 261.475 4.972 30 10 CJEE CCCCCCC[C@](C)(O)c1csc(CC)c1 1919905941 RRRGQXSPAZVQPF-HNNXBMFYSA-N 254.439 4.879 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc2c1CCC2 1919914295 UJBSBJJCZYKZPD-GOSISDBHSA-N 260.421 4.743 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](C)C2CCCC2)CC1 1924091775 BXPDRCJIYVJOPX-CRAIPNDOSA-N 263.469 4.927 30 10 CJEE CCN[C@H](CC#CC1CC1)c1scc(Cl)c1Cl 1947162161 YXWOPLQPXYIBSA-LLVKDONJSA-N 288.243 4.509 30 10 CJEE C=C1C[C@@H]1CCc1cccc(Cl)c1Br 1955314245 WUUISIXQLKLJSQ-JTQLQIEISA-N 271.585 4.611 30 10 CJEE CC(=CB1OC(C)(C)C(C)(C)O1)[C@H]1CCCC(C)(C)C1 1956661087 WRQSTVPCVHFXDG-AWEZNQCLSA-N 278.245 4.781 30 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CCCCCCCC[C@@]1(CNC)CC12CCCC2 2036096010 SJLIGHWIMPPPPT-KRWDZBQOSA-N 251.458 4.907 30 10 CJEE C=C1CCC(C[C@](C)(N)CCCC(F)(F)F)CC1 2037157902 PHCCJPVPXNDYDT-CYBMUJFWSA-N 263.347 4.573 30 10 CJEE C=C(C[C@H](CC1CCCC1)NCCC)C(C)(C)C 2038103489 OSBDCUDVEVCWAE-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@H]1C[C@H]2C[C@H]2C1 2038442197 SJPNZCFLZPLIPQ-WCXIOVBPSA-N 251.458 4.891 30 10 CJEE C=C([C@]1(O)CCCC2(CCCCC2)C1)[Si](C)(C)C 2040765380 PRZCZEWGNVIKFN-INIZCTEOSA-N 266.501 4.676 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1cc2ccccc2s1 2040851797 XVIGEXUHSCLQMM-ZIAGYGMSSA-N 257.402 4.518 30 10 CJEE CCCCCCCCCC[C@H]1CCC(F)(F)[C@@H]1N 2042042209 KCLIYNBNDINPLZ-UONOGXRCSA-N 261.400 4.890 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@H]1OCCCC1(C)C 2045998964 XLURPTNIHLBJNH-ZBFHGGJFSA-N 251.414 4.692 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]2C1 2046489374 YSNVZYWGEGVXHG-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@]1(C)CCCC1(F)F 2048959169 JVDGGDKLNSHNQI-ZIAGYGMSSA-N 260.368 4.988 30 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C=CC[C@](C)(CC)[C@H](O)C[C@]1(C)CCCCC1(F)F 2344472559 BUFYKSZLYDOUHD-ILXRZTDVSA-N 274.395 4.945 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)C[C@@H](C)CC[C@H]1C 2352000614 HACHYTHPXGXSRY-WOSRLPQWSA-N 282.449 4.520 30 10 CJEE C=CC[C@@H](C)S[C@]1(C(=O)O)CCC2(CCCCC2)C1 2352002175 NOHJETCPAJUCBC-CZUORRHYSA-N 282.449 4.642 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@H]2CCCC[C@H]21 2352315632 FFZMLRANACLXKW-INMHGKMJSA-N 283.525 4.623 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)C[C@H](CS)CC(C)C)CC1 2353846205 SPFCAEZGGIICJH-ZACQAIPSSA-N 285.541 4.869 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1C[C@@H]2CC[C@H]1C2 2359293670 JPRNCDMYJSQWPX-IKGGRYGDSA-N 297.552 4.871 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CC1[C@@H](C)[C@@H]1C 2360175768 VFYMKNCENGXTHB-RLFYNMQTSA-N 282.468 4.739 30 10 CJEE Clc1ccc(/N=C/c2cccc(Cl)c2)cc1 271243 MPMWUFAKZDOHMA-CXUHLZMHSA-N 250.128 4.744 30 10 CJEE C[N+](CC#CC1CC1)(C1CCCCC1)C1CCCCC1 4307120 NWMIHDSZBJTDEU-UHFFFAOYSA-N 274.472 4.512 30 10 CJEE N#Cc1cccnc1Nc1cc(Cl)c(Cl)cc1Cl 19990563 CCXFKWGNQBARMO-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CC(C)COc1ccc(C2(C#N)CCCCCC2)cc1 20429412 LKKZWWMLJJRPGY-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE C/C(=N\O)c1cccc(OCc2ccc(C(C)C)cc2)c1 20475728 APOVKAOZGJPJJO-XMHGGMMESA-N 283.371 4.587 30 10 CJEE CCCN(CCC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37145885 OXXVUDPNHNSHDT-BRWVUGGUSA-N 278.484 4.853 30 10 CJEE CC(C)c1ccc2c(c1)[C@@H](C#N)CC1(CCCCC1)O2 41390441 JWHSVFUADNUYPL-OAHLLOKOSA-N 269.388 4.903 30 10 CJEE Cc1ccccc1-c1sc(C#N)c(N)c1-c1cccs1 52902313 IFMBOPQQTYKGRS-UHFFFAOYSA-N 296.420 4.906 30 10 CJEE CCc1ccccc1OCCC[C@H](C#N)c1ccccc1 57684456 RRFTXIGXGRRTHX-GOSISDBHSA-N 279.383 4.715 30 10 CJEE CCCCCCCCOc1ccc(C)cc1/C(C)=N/O 59295499 DAERFTDZBCUGFM-OBGWFSINSA-N 277.408 4.933 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 68603224 KEWICRSQANUWHK-BXUZGUMPSA-N 296.336 4.958 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCO[C@@H](CCC)C1 70357449 JSCAFAXVFXHVIT-GJZGRUSLSA-N 291.460 4.724 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@H](C(C)C)CC2)C1 79342172 ACHNPRNGZUOVSY-CADBVGFASA-N 290.495 4.853 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C(C)(C)C)CC2)C1 79342234 DNUIUOBTOCKZER-XWTMOSNGSA-N 290.495 4.853 30 10 CJEE Cc1nc(COc2ccccc2C(C)C)sc1CS 82419852 YURQJGJONWOLEX-UHFFFAOYSA-N 293.457 4.584 30 10 CJEE Cc1ccc(C(F)(F)F)cc1Nc1ccccc1C#N 91480093 GBITWQXIRQPHMX-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCCNC(=O)/C=C/c1cccc(Cl)c1 109294154 JKVXQRFFACIASK-VAWYXSNFSA-N 293.838 4.830 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@]1(C#N)NC1CCCCCC1 110029397 PTEPYQHVVHIEBK-CGTJXYLNSA-N 276.468 4.653 30 10 CJEE CCCCCCCN(CCC)C1(CN)CCCCCC1 110520401 ITRVQTDEUCDTBN-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 111610367 BEWDFXJATYTYPY-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)C[C@H](C)O2 115856106 UBJGMKKRAJJGNY-YOEHRIQHSA-N 275.436 4.760 30 10 CJEE CCCCc1ccc(/N=C/c2ccccc2OC)cc1 116322830 FKJGUTJVQVTNSF-XMHGGMMESA-N 267.372 4.788 30 10 CJEE CCCCCCCO[C@H]1CCC(C)(C)[C@H]1NCCC 123876067 CTKVBNSISTXYQR-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2cccc(C)c2o1 124982691 WKXITUUYKLQRRG-MRXNPFEDSA-N 288.435 4.996 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2cccc(F)c2o1 125042190 FLEWJDCMZRSRAX-HNNXBMFYSA-N 292.398 4.827 30 10 CJEE CCCCC[C@@H](C)Nc1cc(C#N)ccc1Cl 125650025 SWOKIXAHECZEHV-LLVKDONJSA-N 250.773 4.592 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1c(C#N)oc2ccccc12 126003395 JRJMPZCDIFLRPI-UHFFFAOYSA-N 294.697 4.622 30 10 CJEE C=C(CC)C[C@H](NC)c1c(Cl)cccc1Cl 131592369 UWAFKTAMYLJWNX-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE C=C(CC)CNc1cc(Cl)c(C)cc1Br 131730022 KRSBMRRVEWPNIO-UHFFFAOYSA-N 288.616 4.789 30 10 CJEE CCCCCCCCCC[C@@H]1CSC[C@@H]1NCC 134607435 KSSVFPDLZNTIRU-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CSc2ccccc21 135360347 YVKCGQYUZZBLEU-CABCVRRESA-N 264.434 4.597 30 10 CJEE CCCCCCC[C@@H](N)[C@H]1CCCc2sccc21 139574747 JCKGLQFJSCEVCF-DZGCQCFKSA-N 265.466 4.856 30 10 CJEE CCCCCCCCCCC[C@@H](NN)[C@H](C)CC 159833872 RLQCOAODGRNZOY-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE CCCCCCCN1C(=O)c2cccc3cccc1c23 161836257 XEVKRLBGXHXMIE-UHFFFAOYSA-N 267.372 4.770 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC[C@@H](C)c3ccccc32)cc1 163861522 LYJKKNCWVIAOAX-BEFAXECRSA-N 276.383 4.723 30 10 CJEE C=CCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 168518935 NDSNUBBPUYOKPS-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C#CCCCOc1ccc(-c2ccccc2)cc1Cl 227910601 BGEBPXLGPWTDRY-UHFFFAOYSA-N 270.759 4.799 30 10 CJEE C=CCC[C@H](C)NC(c1ccccc1)c1ccccc1 228817680 GHNIRRSIBSGYTD-INIZCTEOSA-N 265.400 4.720 30 10 CJEE CCCCCCC[C@H]1C[C@H](O)c2cc(C)ccc2O1 229406997 IMYBDBZHBHTONZ-HOCLYGCPSA-N 262.393 4.540 30 10 CJEE Cc1cccc(OCC2(CS)CCCCCC2)c1F 232333466 XAMUBKRCRLKODH-UHFFFAOYSA-N 282.424 4.783 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(C)c(F)c1 233544303 SYICKQJUVVYYJE-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H]2C(C)C)C1 251380176 ZXNAFLGVMWHZIK-ZJPYXAASSA-N 290.495 4.851 30 10 CJEE CC[C@H](C)CN(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252438028 YZZBKYXCBGHFCK-LUKYLMHMSA-N 278.484 4.709 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@@](=O)CCC(C)C)C1 300445634 JJMVWXZURNBXLP-NLDJYOPPSA-N 297.508 4.526 30 10 CJEE CC[C@@](C)(C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307897099 RXBOCADJLLHUIH-UONOGXRCSA-N 286.202 4.531 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1 308055234 MRUISKNUBQKAOI-SWLSCSKDSA-N 277.795 4.589 30 10 CJEE C[C@@H]1CCC[C@H](C[C@]2(C#N)CCc3ccccc32)C1 311979120 QLPRTAIBNRUFSF-VKJFTORMSA-N 253.389 4.611 30 10 CJEE CCC1(COc2ccc(C#N)cc2C(F)(F)F)CCC1 312557356 SKIKVUZHWUOYJL-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)cc(OC)c1 312646203 SQLJLIYZKFJIFV-MRXNPFEDSA-N 267.388 4.585 30 10 CJEE C=C(CC)CN[C@H](C)c1sc2ccccc2c1C 313480126 IEKZEWQRFMUHLT-CYBMUJFWSA-N 259.418 4.827 30 10 CJEE N#Cc1cc(F)cc(OCCCCCCCCCS)c1 313653696 JUHOAIYFNAKOQC-UHFFFAOYSA-N 295.423 4.737 30 10 CJEE C=C(C)CC[C@]1(CNCC(C)C)CCC[C@H](C)C1 319614540 DTMUAPRZBJLDJO-DLBZAZTESA-N 251.458 4.785 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@](C)(OC)c2ccccc2)C1 384916255 OZSIDFQONZZESO-NJAFHUGGSA-N 271.404 4.658 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@H]1CC(C)C 387640719 AXLFKOHHMZSWFY-ZACQAIPSSA-N 251.458 4.783 30 10 CJEE CCC1CCC(C#N)([C@@H]2CC(C)(C)OC2(C)C)CC1 388910888 OMBOCKSBKNXVDU-XOYHFGRZSA-N 263.425 4.690 30 10 CJEE CCCCCCC[C@H](C)NCCCOCc1ccccc1 390084390 FIGXRSKRFTUIHG-SFHVURJKSA-N 291.479 4.932 30 10 CJEE Cc1cc([C@H](C)/N=C2/N[C@](C)(C(C)C)CS2)c(C)s1 398550303 FQHJNOFWWRKJPM-NHYWBVRUSA-N 296.505 4.533 30 10 CJEE CCCCCCCC[C@H](CCCOCC(F)(F)F)NC 400675534 WSDRZMHAYWANHO-CQSZACIVSA-N 297.405 4.684 30 10 CJEE C=CCC(CC=C)C(=O)Nc1csc2ccccc12 487481139 BRLCHBSDXWJSBH-UHFFFAOYSA-N 271.385 4.608 30 10 CJEE O=Cc1ccccc1C#Cc1ccccc1-c1ccccc1 514279743 BSSRWCLLTRLGRA-UHFFFAOYSA-N 282.342 4.566 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCC[C@@H](OC)C1 686350431 CBEIZXHSVMCZPE-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@]1(CNC)C[C@@H](C)O[C@H]1C 686448814 LMTXBGBAHNUXIE-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)O[C@@H]1C 686466006 CJRVEEJYLWYSRJ-TVFCKZIOSA-N 283.500 4.919 30 10 CJEE CO[C@@H]1CCCC[C@H]1C1(C=O)CC(C)(C)CC(C)(C)C1 688006504 OMMDPASEMHULLE-HUUCEWRRSA-N 280.452 4.613 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1 691051583 YUUNZALZMTWSQZ-DLBZAZTESA-N 256.393 4.575 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C1CCC1 692691257 CJTGOGUBVXJLBJ-BXKDBHETSA-N 296.197 4.606 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(N)c(F)c1 695318685 RRISAWDPYLZEDB-MRXNPFEDSA-N 267.388 4.582 30 10 CJEE C[C@@H](CCC#N)Sc1cc(Cl)cc(Cl)c1 695887041 OROBXNAACIWDID-QMMMGPOBSA-N 260.189 4.778 30 10 CJEE CCCCCCCCC[C@H](O)CC1(NC)CCCCC1 696282463 FISGVKWAAIRYRD-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1csc(CC)n1 702350177 OBVCVMWJGTWBOD-CQSZACIVSA-N 297.512 4.741 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1/N=C1/N[C@@](C)(C(C)C)CS1 703727750 WJDPVHIIYUMAOM-KCYZZUKISA-N 296.524 4.554 30 10 CJEE C[C@H](N(C)c1ccc(Cl)cc1C#N)[C@]12CCCC[C@H]1C2 709271917 ZMCGUXSEDROQEX-RVSPLBMKSA-N 288.822 4.617 30 10 CJEE CCCCCCC[C@@H](NC)C12CCC(CC1)CC2 710049093 WNVLOCHAQRROIB-AQFXKWCLSA-N 251.458 4.905 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@@H]1CNCCC 710616638 KRZJBTKTGYAQCR-ZIAGYGMSSA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCC[C@H](C)C1 710690247 TWTKQEXHXPADJB-DZGCQCFKSA-N 257.849 4.571 30 10 CJEE CCCCCCCCCC[C@@H](O)c1csnc1OC 712924462 WDVFYEGXKCBNNL-CQSZACIVSA-N 285.453 4.716 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714394881 AZHDNAQBAGAZKP-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCSc1cccc(NC2CC(C(C)C)C2)c1C#N 714665163 JAIQIAPXDHBPIB-UHFFFAOYSA-N 274.433 4.517 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1ccc(-c2ccccc2)cc1 715027229 AJZFGFCKGHEDDN-RDTXWAMCSA-N 252.357 4.599 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1ccccc1OCc1ccccc1 715724193 UIRWWVYJSWWGBY-OXJNMPFZSA-N 295.426 4.738 30 10 CJEE Cc1ccc(Br)c(F)c1C(=O)C1=CCCCC1 721169847 JINTUGNVGCSJRC-UHFFFAOYSA-N 297.167 4.580 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@H]2C2CC2)NCCC)CC1 724602676 MSTFFXSNOIBEMS-QRVBRYPASA-N 275.480 4.927 30 10 CJEE CC(=NNc1nncc2ccccc12)[C@@H](C)C1CCCCC1 747625069 CGHMDLOZJWYYGP-CYBMUJFWSA-N 296.418 4.634 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)Cc1ccc(C#N)cc1Cl 821941478 BIDLEYFCJVCUCO-DYVFJYSZSA-N 290.838 4.612 30 10 CJEE C=CCCC[C@@H](NCc1cncn1C(C)C)c1ccccc1 883325090 OATVBNZHBXKLEO-LJQANCHMSA-N 297.446 4.651 30 10 CJEE C=CCC[C@H](NCc1nccs1)c1cccc(Cl)c1 903075543 ZBEFKEDSORYTKY-AWEZNQCLSA-N 292.835 4.594 30 10 CJEE C=CCC1(C(=O)N(C)C2CCC(C)(C)CC2)CCCCC1 1126935000 PRZJMLUJLDBMAL-UHFFFAOYSA-N 291.479 4.940 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1129405327 DRNSPDPCOICXAR-KBPBESRZSA-N 299.389 4.758 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1131385204 SZBXVCFDHZFBGL-SDNWHVSQSA-N 299.458 4.858 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1coc2cc(C)c(C)cc12 1134729254 WZUXDNWUAPRODS-OAHLLOKOSA-N 297.398 4.620 30 10 CJEE C=CCCCN(CC)C(=O)CC(C)(C)C1CCCCC1 1134802318 RKBGHFWAGRMESF-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=C(CC)C(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 1141271484 WAIJWRSUBUIXDF-QGZVFWFLSA-N 273.420 4.590 30 10 CJEE C=CCCCCN(CCC)Cc1ccc(F)cc1F 1167237679 ONURCTFEBDPBOJ-UHFFFAOYSA-N 267.363 4.533 30 10 CJEE C=CCCC[C@H](C)NCc1cc2ccccc2cc1OC 1178305502 ZHELKNKAJHSAIZ-HNNXBMFYSA-N 283.415 4.683 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cnn([C@H](C)C2CC2)c1 1181126308 ZYNPRVKMEAUGED-HUUCEWRRSA-N 275.440 4.791 30 10 CJEE C=CCC[C@@H](CCC)N[C@H](c1ccccn1)C1CCC1 1182961210 WSDRZGGSYDUYIU-AEFFLSMTSA-N 272.436 4.647 30 10 CJEE C=CC[C@@H]1N(C(=O)CCc2ccc(C)cc2)CCCC1(C)C 1270793865 UYMLBESFHKPWLX-SFHVURJKSA-N 299.458 4.521 30 10 CJEE C=CC(C)(C)CC(=O)N(Cc1ccc(C)cc1)C(C)(C)C 1280328060 FXPDJNFGQQUUCJ-UHFFFAOYSA-N 287.447 4.724 30 10 CJEE C=CCCCCCSCc1cccc(OC)c1 1307292372 DWXXMNPNGQJNBZ-UHFFFAOYSA-N 250.407 4.675 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl 1307732103 LLOJJIXZMKOOTB-CYBMUJFWSA-N 270.203 4.534 30 10 CJEE C#CCCCCNCc1ccc(Oc2cccc(F)c2)cc1 1308331819 YBZBUMFTRFTECS-UHFFFAOYSA-N 297.373 4.511 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(Cl)c(C)c1 1308486453 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283.500 4.512 30 10 CJEE CC(C)(N=C1NC2(CCCC2)CCS1)C1CCCCC1 2150554457 PTRJKNCAVBJNIC-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE C=C(C)CC[C@H](C)Nc1cccc(SCC)c1C(=O)O 2152865123 NLJFAAVDEQQCJO-LBPRGKRZSA-N 293.432 4.654 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@](C)(O)[C@@H](C)CC(C)C 2153909321 NGPPLLMGBGKVBO-BZSNNMDCSA-N 283.500 4.534 30 10 CJEE CC[C@]1(C)CCSC(=N[C@@H]2C[C@H]3CCCC[C@]3(C)C2)N1 2154175469 OVCNWTZNHMVHLT-MUIFIZLQSA-N 294.508 4.597 30 10 CJEE CC[C@@](O)(CC1CC1)C1(C#N)CCC(C(C)(C)C)CC1 2155883885 WZIHMOLJWHQPHJ-VMWRSERWSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCC[C@@]2(C1)CC2(F)F 2156141491 HHEWTTQLFCMCBD-OWCLPIDISA-N 285.422 4.927 30 10 CJEE CCc1ccc([C@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)s1 2157121516 WFQRQAZOKZUKEM-RDJZCZTQSA-N 291.460 4.844 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1CC(OC(C)(C)C)C1 2158319399 CFQGLKFJJSHVKL-OTBWCIGPSA-N 281.484 4.551 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1(OCC)CCCCC1 2158321906 YJISQISULWYBBE-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CC[C@@H]1CCC[C@H](CN=C2NC[C@H](C(C)(C)C)S2)CC1 2159519279 QOYRVRCNKXUMPB-QLFBSQMISA-N 296.524 4.700 30 10 CJEE CCCCCCCCOCc1cc(C)cnc1NCC 2159781218 YKHSBADHQINDPW-UHFFFAOYSA-N 278.440 4.699 30 10 CJEE CC1CC([C@@](C)(O)C2(C#N)CC(C)(C)CC(C)(C)C2)C1 2161729399 IVNVJSSDZZDOHC-MQBCKMQZSA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(C(F)(F)F)ccn1 2163823599 XSKSKXRVLWVTLV-AWEZNQCLSA-N 289.341 4.668 30 10 CJEE CCC[C@]1(C)CSC(=NC2CCC3(CCCC3)CC2)N1 2164051400 WYKMLVOYWQTURD-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)cc(C(F)(F)F)c1 2164252083 LVSRZMCXHXZZLO-YGRLFVJLSA-N 289.316 4.707 30 10 CJEE CCCC[C@@](C)(CC#CC1CCCCC1)CNC1CC1 2164469489 JOXQDBBWEHWZCD-IBGZPJMESA-N 275.480 4.909 30 10 CJEE C=CCCCCC[C@](CC)(CCCC)CNCCOC 2164472470 LZPCCNOLXPJCJM-SFHVURJKSA-N 283.500 4.946 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2[C@H]3CCCCC[C@H]32)CC1 2167233099 FKLDHMSRXIJWHY-HCXYKTFWSA-N 275.480 4.927 30 10 CJEE C=C(COCCC)[C@H](NCC)C1(C)CCCCCCC1 2172602079 RZARCYLGMZBUMV-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cccc2c1CCCC2 2173290932 SUENUUWWRPVJBB-BEFAXECRSA-N 271.448 4.818 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCCC12CC2 2173610078 XFPLTMLGSVGGEE-SFHVURJKSA-N 281.484 4.533 30 10 CJEE CC[C@](O)(C1CCCCC1)[C@@]1(C#N)CCCCC12CC2 2173613535 XGKDNNAPYKUWOL-MSOLQXFVSA-N 275.436 4.572 30 10 CJEE N#C[C@@]1(c2snc3ccccc23)CCCCC12CCC2 2173621433 FWFDPILFVZSLDY-QGZVFWFLSA-N 282.412 4.802 30 10 CJEE N#C[C@@]1([C@H](O)c2cccc(Cl)c2)CCCCC12CCC2 2173624873 FVNZDABTWBBRSD-NVXWUHKLSA-N 289.806 4.628 30 10 CJEE CC1(C)CCC[C@@H](C[C@]2(C#N)CCCCC23CCC3)O1 2173627686 BSYRKSLOIVEGQZ-YJBOKZPZSA-N 275.436 4.978 30 10 CJEE C=CCCCCC(=O)c1cc(Cl)c(OCC)c(OC)c1 2179680151 NUISRMFMNARFAQ-UHFFFAOYSA-N 296.794 4.676 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C2CC(OC(C)(C)C)C2)CC1 2181640222 CDNSBYFQXUTZFI-IUDNXUCKSA-N 278.436 4.532 30 10 CJEE CCC(C)(CC)COc1ccc(C(F)(F)F)c(C#N)c1 2182254970 BIXDGHOZMXEQFQ-UHFFFAOYSA-N 285.309 4.782 30 10 CJEE C#CC1(CN[C@H](CC(C)(C)C)c2ccccc2)CCC1 2182313782 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CJEE CCCCCCC[C@H](CN)N(CC)C1CCCCCC1 2197193612 NOVHSRSYSHYWMC-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=C[C@H](N[C@@H](C)CC(C)(C)c1ccccc1)C1CCC1 2197827600 ASZUUHJYOUBZAP-YJBOKZPZSA-N 271.448 4.687 30 10 CJEE SC[C@H](COC[C@H]1CC12CCCCC2)c1ccccc1 2198309367 YUXNFCOEBOVDDR-DLBZAZTESA-N 290.472 4.687 30 10 CJEE Cc1ccc(N[C@H]2CCCCC[C@@H]2C(C)C)cc1C#N 2199339094 IYUMKQRSNQKWFW-MSOLQXFVSA-N 270.420 4.884 30 10 CJEE N#Cc1cc(F)c(N[C@H]2C[C@@H]2C2CCCCC2)cc1Cl 2200178147 ICIBMELUEZWWFC-DOMZBBRYSA-N 292.785 4.731 30 10 CJEE Cc1cc(C)c(C)c(CC2(C=O)CCC3(CC2)CC3)c1 2203044295 KMNVKWSQVDOWEL-UHFFFAOYSA-N 270.416 4.694 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@H]1C(C)=CCC[C@@H]1C 2203818898 JGRKUDFZAPOCPN-FHWLQOOXSA-N 275.480 4.931 30 10 CJEE CCCCC#CC[C@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2203825351 WSLFAYNLAPDJTM-OTWHNJEPSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@]1(CNC2CC2)CCC[C@@H](CC)C1 2203825905 YHWSHYRXFKIEEX-MJGOQNOKSA-N 275.480 4.909 30 10 CJEE C#C[C@H](N[C@H](CCCC)c1ccccc1)C1CCCC1 2204049074 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CCCCCCCCCCCO[C@@H]1CC[C@H](N)[C@H]1C 2231079988 NVHRMRUAFYKSCE-IXDOHACOSA-N 269.473 4.660 30 10 CJEE C=C[C@@](C)(CNC1CCC1)CC1CCC(CC)CC1 2231504393 JUYZXBSKSAYAMC-LEOMRAHMSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCC[C@](C)(CNCCC)OC 2231547105 XWBQLASLDNWXOU-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCC[C@@]1(C)CC[C@H](CNC(C)C)O1 2231901192 AUAZOQOXQPCIEK-SJORKVTESA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@](C)(OC1CCCC1)C(=O)O 2231902682 FWBMOTPGNKRQTI-MRXNPFEDSA-N 270.413 4.540 30 10 CJEE C=CCCCCCC[C@@](C)(N)c1ccc(F)c(C)c1 2232063630 KTVXWOATBMZXDW-QGZVFWFLSA-N 263.400 4.835 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H]2CC[C@H]2C(F)(F)F)C1 2232692842 CAHJVISHEKJCAG-UONOGXRCSA-N 289.385 4.547 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H]1CCCCCC1(F)F 2233790781 MOSYMZGAKKFYAS-CABCVRRESA-N 285.422 4.620 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1CC2(CCCCC2)C1 2233793616 YJTDPPJOPVSLPP-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCO[C@H]1C[C@@H](CC)C[C@@H](O)C1 2234051633 RBTVWHKFGTWDNR-KSZLIROESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCn1cnc2c1C[C@@H](C)[C@@H](C)C2 2235540760 AFDWOTZCZYFGQM-JKSUJKDBSA-N 274.452 4.781 30 10 CJEE CN(CCCCCC#N)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2238866766 KLZZFPIVKXVJFW-KURKYZTESA-N 276.468 4.609 30 10 CJEE CC(C)CC1([C@@H](N)C#Cc2ccc(Cl)cc2)CCCC1 2239456612 NURYOHWKHHBWRJ-KRWDZBQOSA-N 289.850 4.625 30 10 CJEE C=C[C@H](CCCCC)Oc1nc(CN[C@H](C)CC)cs1 2239508317 UIVRVICIZFZFSH-UKRRQHHQSA-N 296.480 4.545 30 10 CJEE CCCCCCCC[C@](C)(CC(=O)O)[C@@H](N)CCCC 2240620440 UMJBUSYHVKRHME-DOTOQJQBSA-N 285.472 4.736 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc2occc2c1 2241138667 LLTBGXHABQKEGS-RDTXWAMCSA-N 271.404 4.556 30 10 CJEE C=CCCC[C@@H](N)c1sc(Cl)cc1Br 2242106385 PXDUZIRYAHEQIS-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1sccc1Cl 2244629916 KOPNSLHVBDPPER-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE C#CCCCCCSCC1(C(F)(F)F)CCC1 2251764342 BJGLBSYFQLIUIN-UHFFFAOYSA-N 264.356 4.646 30 10 CJEE CCCCCCCCCC1(N)CC2(CC(F)C2)C1 2254592810 GULXCPAVULUVNW-UHFFFAOYSA-N 255.421 4.737 30 10 CJEE C=CCCCCCCC[C@](C)(O)c1cnc(C)s1 2257466046 NPRGNVRVXATXSN-HNNXBMFYSA-N 267.438 4.576 30 10 CJEE C=CCCCSc1ccc(Cl)cc1C[C@@H](N)CC 2259006343 CRPULGACGRVTTL-AWEZNQCLSA-N 283.868 4.678 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@]1(C)CCCCC1(F)F 2259198474 IUUVVEWHIGHXQN-KGLIPLIRSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(C(F)F)o1 2259240066 WEJUBSPMJRNVJL-LLVKDONJSA-N 257.324 4.614 30 10 CJEE CCCCCCC[C@](C)(O)CCCCCCOC 2259312877 PDCTYCZXGZSFAI-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCCCC12CC2)NN 2264895803 BKMNKYGGHWEFGD-HOTGVXAUSA-N 266.473 4.539 30 10 CJEE C=CCCCCCCNC[C@@H]1CC[C@H](C(F)(F)F)C1 2264936777 VUHOGIWKYMIIMD-KGLIPLIRSA-N 277.374 4.691 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C(F)(F)F)CC2)C1 2266543635 YCJDSVHQQNOGNZ-UTUOFQBUSA-N 291.382 4.781 30 10 CJEE N#Cc1cc(Cl)cc(OCC[C@@H]2CCCC23CC3)c1 2266587412 BMFVOTUYABFIET-ZDUSSCGKSA-N 275.779 4.561 30 10 CJEE CC(C)CC[C@@](O)(CC=CC#CC(C)(C)C)C1CC1 2268755771 XBLAWHCRVPQFLZ-SFHVURJKSA-N 262.437 4.560 30 10 CJEE CC(C)=CCC[C@@H](C)CCOc1cccc(C#N)c1 2269639259 FRGRGFPRWXVUMI-OAHLLOKOSA-N 257.377 4.710 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1SCCC1CCC1 2270194695 WEWRTJVGXYPQCX-UHFFFAOYSA-N 285.334 4.859 30 10 CJEE C=CCCCS[C@H](C)[C@H](NC)c1ccc(CC)cc1 2271497484 INQXXSDATVYDBE-PBHICJAKSA-N 277.477 4.597 30 10 CJEE C=C(C)CCCC[C@H](Cc1cccc(C)c1)NCC 2271836507 HMPUOLSRHWHGJX-GOSISDBHSA-N 259.437 4.652 30 10 CJEE CSCC1(C[C@]2(C=O)CCC[C@H](C)C2)CC(F)(F)C1 2273939265 FDDGYDUTZKAPCI-STQMWFEESA-N 290.419 4.550 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(CC)s1 2274071751 FRCMRAREKBZQFR-MRXNPFEDSA-N 275.461 4.545 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1cc2cscc2s1 2274134152 RCFODNYPJHNTIN-AWEZNQCLSA-N 289.469 4.807 30 10 CJEE CCCCCC#CC[C@@H](N)C1CC(CC(C)(C)C)C1 2274211555 KDVOHLKFHWSMRS-OFLPRAFFSA-N 263.469 4.750 30 10 CJEE C=CCCCCC[C@](C)(CCCCC)OCCCN 2277000551 OAYAWXDIBRTEHL-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE SCCCCCCCOc1cccc2c1CCCC2 2277448868 NBUASVXTHMIKRJ-UHFFFAOYSA-N 278.461 4.825 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C2C3CC4CC(C3)CC2C4)C1 2277567867 PAKKHDIMGAOSIF-XLWOMWCVSA-N 257.421 4.779 30 10 CJEE N#CC1(COCC[C@H]2CCCCC23CC3)CCCCC1 2279560554 PSVMMJIIRZFGOU-MRXNPFEDSA-N 275.436 4.838 30 10 CJEE CC1CC(CS)(CN(C)[C@@H]2CCC[C@H](C(C)(C)C)C2)C1 2280054468 HBEPRCWKIQCPSM-BNQMIIOLSA-N 297.552 4.869 30 10 CJEE O=C(C1=CCCCCCC1)c1ccncc1C(F)(F)F 2280248761 ZICXWXQKMRQKQG-UHFFFAOYSA-N 283.293 4.564 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CC(F)(F)C12CCC2)NCCC 2281090407 YYEQQFHTZKNYFR-SOUVJXGZSA-N 285.422 4.782 30 10 CJEE C=C(CC)COc1cc(C)c(CN[C@@H](C)CC)c(C)c1 2282957859 BBXPPSNVQFCKDC-INIZCTEOSA-N 275.436 4.537 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(SC)cc1 2284097731 BEAODGBFGDSQNK-KRWDZBQOSA-N 287.472 4.665 30 10 CJEE CCCCCCC[C@@](C)(N)c1cc(C(C)(F)F)ccn1 2284112440 YSQIJHLNDSHYEN-OAHLLOKOSA-N 284.394 4.728 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C[C@H](C(F)F)C(C)(C)C 2284157972 IAUCZTWVGUOLRZ-UONOGXRCSA-N 285.422 4.627 30 10 CJEE CC(C)CCC[C@@H](C)CCOCc1ccc(C#N)cc1 2284903488 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C=CCCCCC[C@]1(OCCCN)CC[C@H](C)[C@@H](C)C1 2294046880 CIYWMECPKPBBRH-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C[C@H]1CN(CCCCCCCS)CCc2ccccc21 2294765054 BSWHHFUCIYSZBE-INIZCTEOSA-N 291.504 4.529 30 10 CJEE C#Cc1ccc(NCc2sc(C(F)(F)F)cc2C)cc1 2295262155 FYKQCIAXPKZNRH-UHFFFAOYSA-N 295.329 4.669 30 10 CJEE CCCCCCCC[C@]1(C)C[C@H](O)C[C@@H](C)S1 2298821875 PRNQSWYQOLJUQB-RBSFLKMASA-N 258.471 4.772 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1C[C@@H](SC)C1 2299298476 KDHIOGZRRQDDGZ-QLFBSQMISA-N 258.471 4.630 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@]1(F)C[C@H]1C 2312117889 MBIVUTVLNDEQQZ-OAGGEKHMSA-N 256.405 4.792 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCCC2)CC[C@H]1N 2313642965 AHVLEKZSMHXPBO-RRFJBIMHSA-N 267.482 4.515 30 10 CJEE C=CCCCC[C@@H](C[C@@H]1CCC1(F)F)NCCC 2313734278 WVQYSUSPWHZCIW-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C#CCCCCCCNCCCCCCCCC 2316831437 VYSFHKCLHIUUCA-UHFFFAOYSA-N 251.458 4.910 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C(F)(F)F)s1 2321176474 DHCDJKHTCIGLSQ-GFCCVEGCSA-N 276.323 4.942 30 10 CJEE CCC(C)(CC)CNc1ccc(C#N)c(SC)c1 2328518067 BMRMCAGAOTWKNU-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2332702866 QRNUPXBIKNTEFC-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(F)(F)F 2333365810 WHZZDMYRRQCKDQ-MGPQQGTHSA-N 278.358 4.853 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C)C[C@@H](NCCC)C1 2335098079 FYICSUMKNUHKFR-BFYDXBDKSA-N 281.509 4.797 30 10 CJEE C[C@H]1CC[C@H](CSC[C@H](C#N)c2ccccc2)CC1 2335351922 KDUGIJDHBDYJAV-ZOBUZTSGSA-N 273.445 4.853 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1c(F)ccc(C)c1Cl 2335584645 UMIJBJMRARMXGX-INIZCTEOSA-N 275.754 4.501 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(CC)cc1 2337108724 IPCNQPSSEXJVKS-OLMNPRSZSA-N 257.421 4.644 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@@H](O)C#CC2CCC2)CC1 2337432914 WHLRZPGZMBECFJ-BZSNNMDCSA-N 262.437 4.538 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cc(C2CC2)ccc1Cl 2338123735 LJOPIDFSXLYYQS-CYBMUJFWSA-N 276.811 4.815 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc(C(F)(F)F)c1 2338665596 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4.843 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H]1C[C@H]1CCC 2359989098 MUZAJSQZYSLSJN-BZUAXINKSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1[C@@H]2CCCO[C@@H]21 2360180191 UFZCDLFHKWZZAS-OWSLCNJRSA-N 281.484 4.530 30 10 CJEE O=C1/C(=C/c2ccc(F)c(F)c2)CC[C@@H]1C1CCCC1 3895469 GZBRLWSLLKQDIT-KADHNRKRSA-N 276.326 4.518 30 10 CJEE C=CCOc1ccc(CNc2ccc(Cl)cc2C)cc1 20022580 ZWEAEBPQTDTDHY-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE N#CCc1ccc(OCc2c(Cl)cccc2Cl)cc1 20368759 IBQHNKCBOXGQSB-UHFFFAOYSA-N 292.165 4.638 30 10 CJEE CC(C)=NC[C@]1(C)C[C@@H](N=C(C)C)CC(C)(C)C1 31361737 CQPAWBDJYIEKOZ-GOEBONIOSA-N 250.430 4.533 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(CC#N)cc2)c(C)c1 37071447 AKWGVKVGAIHUQG-OAHLLOKOSA-N 264.372 4.543 30 10 CJEE N#C[C@H](Nc1ccccc1)c1cc(Cl)cc(Cl)c1 37935429 VEZBDJOPCYWUGP-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c(Cl)c1 54823713 FDSJTMAMSFTGJY-IINYFYTJSA-N 283.202 4.878 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1OC 59456616 QPHXTNNVNDHSLR-ZDUSSCGKSA-N 294.395 4.764 30 10 CJEE CCCc1nccn1[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 70424537 AZSQJEJJUHROLL-PMPSAXMXSA-N 287.451 4.753 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(Cl)ccc2C#N)C1 71132190 OAXCXSHCBLIZGH-RISCZKNCSA-N 263.768 4.559 30 10 CJEE CCOc1ccc(-c2cc(CC#N)c(C(C)(C)C)o2)cc1 77085216 PJCVJFOLPXTSDL-UHFFFAOYSA-N 283.371 4.709 30 10 CJEE Cc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1Cl 77086132 HNWAHKKDKXGTAD-UHFFFAOYSA-N 285.652 4.799 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H](C2CC2)C1 81631512 DLFXOQGRORMPAQ-SWLSCSKDSA-N 274.795 4.592 30 10 CJEE C[C@H]1CC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 85017785 ANQUXIXPOSQRKT-GVXVVHGQSA-N 297.320 4.781 30 10 CJEE CCn1c(C[C@H](C)CC(C)(C)C)nc2cc(C#N)ccc21 86635556 ZBEQEPVSSAFHCR-ZDUSSCGKSA-N 283.419 4.543 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2csc3ccccc23)C1 91883260 SPLOEEZUMWPFIK-JLZZUVOBSA-N 285.412 4.655 30 10 CJEE C=C(CC)C[C@H](Cc1cccc(C(F)(F)F)c1)NCC 97208977 UAAPCAIMOSQOBN-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE 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269.498 4.777 30 10 CJEE CCCCCCCCCOC1CCC(NCC)CC1 168090481 BZJRWGLEXKSBQT-UHFFFAOYSA-N 269.473 4.674 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)cc1Br 213218240 GIKVXTZOIHAMKF-MNOVXSKESA-N 295.224 4.557 30 10 CJEE CCCC[C@H](CCC)Nc1ccc(C#N)cc1Cl 226033383 YMMINUDOYFIRFH-ZDUSSCGKSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1nccs1 228726238 PTIMWPDDASACLE-OAHLLOKOSA-N 282.497 4.934 30 10 CJEE CCCCCCCn1ccc2ccc(C[C@H](C)N)cc21 229747686 WKEWMWYJYDETQY-HNNXBMFYSA-N 272.436 4.501 30 10 CJEE N#Cc1cccc(CNc2cc(Cl)c(F)c(Cl)c2)c1 232026939 VICDRJDVDQQEEK-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCOc1ccc2c(c1)[C@H](NC)CCC2 232957883 GJRONGMZGQYQMW-GOSISDBHSA-N 275.436 4.633 30 10 CJEE C#CCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC 252775499 XFXOCPPNILBKOO-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O 253096027 PUTQIUFANNCRSG-QRVBRYPASA-N 295.511 4.753 30 10 CJEE CSc1cc(C[C@@H](C)C#N)cc(SC)c1SC 260143709 DWHWNPGDZFHUFS-SECBINFHSA-N 283.487 4.554 30 10 CJEE N#CC1(c2ccc(CCC(F)F)cc2)CCCCC1 260371975 CTOSWPVXJMNOCH-UHFFFAOYSA-N 263.331 4.610 30 10 CJEE N#Cc1ccc(N[C@H]2/C=C/CCCCC2)c(Cl)c1 302345856 FLHLRFIJOBUEQR-BPJJOFIESA-N 260.768 4.512 30 10 CJEE C[C@@H]1CCC[C@@H](COCC2(CS)CCCCC2)C1 302455347 XVVDNKSKIUUASD-HUUCEWRRSA-N 270.482 4.710 30 10 CJEE N#Cc1ccc(Cl)c(NCCc2ccc(Cl)cc2)c1 308457135 MTEDUTBDEKUREH-UHFFFAOYSA-N 291.181 4.520 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1cccc(Cl)c1Cl 316702832 CDKONMGGFAFNLG-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C=CCCCCC[C@]1(CNCC)CC[C@H](CC)C1 317404067 HCJSCDDGWOWSCM-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C(C)CCC1(CNC(C)(C)C)CCC(C)CC1 318608945 UWHMCWCBUMVINY-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CCC2(CCCCC2)O1 384885840 SBCGNHDQZGBWEO-IXDOHACOSA-N 275.436 4.978 30 10 CJEE C=CCCCCCC(=O)c1cnc2ccccc2c1 388605354 AROOYUKZQVMTRL-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CCCCCCCCCCCCNCC[C@@H](C)CCO 397717282 SZLKHKSAVXKQCQ-GOSISDBHSA-N 285.516 4.906 30 10 CJEE CCCCCCCCC(=O)CCCOCC(F)(F)F 400382328 IJEZAKRIHFOEGX-UHFFFAOYSA-N 282.346 4.665 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1CCSCC1 401710984 TVFGNGUZQNZWBP-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE CC(C)[C@H](C#N)CNc1cc(Cl)c(Cl)c(Cl)c1 404237067 BGSSSOHVYXASAP-MRVPVSSYSA-N 291.609 4.854 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@H](C)c1ccccc1 410376675 XCWVTLGDBLUFBO-INIZCTEOSA-N 293.410 4.938 30 10 CJEE C=C(C)CCS[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 419482823 YLJKINQUVOJDTP-ZDUSSCGKSA-N 288.416 4.805 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1ccc(C#N)c(Cl)c1 691055171 KSBPNTVSXWMUPY-LRDDRELGSA-N 276.811 4.617 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@@H](CCC)CC1 701856562 UYTMXGLOUSROBY-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCNCc1cc2cccc(OC)c2o1 705822709 IHXNXFUSKGNPNC-UHFFFAOYSA-N 275.392 4.501 30 10 CJEE C=CCSC[C@H](NCC)c1cccc(Cl)c1Cl 708675693 YBRYHLTVGDOHQU-LBPRGKRZSA-N 290.259 4.563 30 10 CJEE CCCCCCCC[C@@H]1CCN[C@@H]2CCCC[C@@H]12 709022469 IQYULSXODWMRIH-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@H](NC)C1CCC2(CC1)CC2 709940248 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C=C[C@H](CC)CC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 1530633430 SLMGEIQLHAFBTE-SQGPQFPESA-N 299.458 4.897 30 10 CJEE C=C[C@H](OC(=O)Cc1c(C)cc(C)cc1C)c1ccccc1 1532386556 BIZRTLZFHXZWNX-IBGZPJMESA-N 294.394 4.625 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CCCC)C(C)C)c1ccccc1 1532387955 RAASTTPABDLHQI-IAGOWNOFSA-N 274.404 4.919 30 10 CJEE C=CCCc1ccccc1NC(=O)C(C)(C)C1CCCC1 1539613533 ZOXUYBIVJOXTAV-UHFFFAOYSA-N 285.431 4.960 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](C)c1csc2ccccc12 1539753675 LQXGHNCUBAGRDQ-GFCCVEGCSA-N 287.428 4.681 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc2oc(CO)cc2c1 1560913275 TUNIBVQUQIMGJC-AWEZNQCLSA-N 287.403 4.862 30 10 CJEE C=CCCCC(=O)Nc1cc(C(C)(C)C)cc2cccnc12 1596256344 SXCXPXPGKYSERP-UHFFFAOYSA-N 296.414 4.827 30 10 CJEE C=CCCCCCCCNc1c(F)cc([N+](=O)[O-])cc1F 1612450636 HZGYBMKCBCZQCV-UHFFFAOYSA-N 298.333 4.812 30 10 CJEE CCc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 1614730789 HPMQBEWQOMCEEY-UHFFFAOYSA-N 262.396 4.946 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)CCC(C)(C)C)c1ccccc1 1617550865 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CCCCCCCCCCNC(=O)c1cccc(O)c1C 125892600 TVKLTCHBAYZZJM-UHFFFAOYSA-N 291.435 4.571 30 10 CJEE CCCCCCCCOCc1cc(Cl)ccc1N 126906295 GZXWBECCPIEQGL-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE N#Cc1cc(F)c(Nc2ccc3sccc3c2)c(F)c1 127453549 KHRZDRQJTOPOMW-UHFFFAOYSA-N 286.306 4.795 30 10 CJEE CCCCCCC[C@H](O)c1cc(F)ccc1Cl 127518817 ZWHTYRXRZGDHRY-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cncc(F)c1 143471804 FARSORIDYRTSFH-MRXNPFEDSA-N 266.404 4.751 30 10 CJEE CCCCCCCCCC[C@](C)(F)C[C@@H]1COCCN1 157571202 UZLKHEUBGUBPEA-SJORKVTESA-N 287.463 4.624 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(N)c(C)cc1C 159627597 KQMWJLHVZMVPSS-UHFFFAOYSA-N 290.451 4.965 30 10 CJEE CCCCCCCCC[C@H](NC)c1nccn1CCC 165910214 MKHWEHQCWXECKC-INIZCTEOSA-N 279.472 4.694 30 10 CJEE CC1(C)OB(/C=C\c2c(Cl)cccc2Cl)OC1(C)C 203807501 LUZKJTFUZJESEQ-HJWRWDBZSA-N 299.006 4.638 30 10 CJEE O=C1CCCC/C1=C/c1ccc(Cl)cc1Cl 208686487 CXQFDAKYAOXFRE-YFHOEESVSA-N 255.144 4.520 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccccc1C(F)(F)F 229753706 NLBANVDCGMZWAP-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CC(C)C[C@H]1CCC[C@H](Nc2ccc(F)c(C#N)c2)C1 230771295 HGLGBQXMGGKEQQ-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE CCCCCCC[C@H](CC(C)(C)OC)NCCC 230965422 KXCCVTOVRLPPGU-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CC[C@@H](C)c1ccc(OCc2cccc(C#N)c2)cc1 232342430 ORFQQVWFBGQROJ-CQSZACIVSA-N 265.356 4.651 30 10 CJEE C=CCCCCCOc1ccc(CNCCC)cc1Cl 233111913 PSCMQGQZGFUEHC-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncc(C)cc1C 233164553 DENNJGCIGWMJRK-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE C[C@@H](N(C)c1ccc(C#N)c2ccccc12)C(C)(C)C 235153873 MQGODLYAEULXID-CYBMUJFWSA-N 266.388 4.582 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 250792747 KLWIUOGBPOADMF-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)C[C@H](C)CC[C@H]2C(C)C)C1 252563102 XEGALXKCRMJZGK-ZBRFXRBCSA-N 277.452 4.530 30 10 CJEE CSc1cc(C2(C#N)CCCC2)c(SC)cc1C 260631308 SPSSCHHEWRYELX-UHFFFAOYSA-N 277.458 4.774 30 10 CJEE N#Cc1ccc(NC2CCC3(CCCC3)CC2)cc1F 307923450 KQGXQAYCNBBDOU-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE CCC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C1CC1 312346952 MBSMYFBXFRHNTQ-ZDUSSCGKSA-N 282.309 4.568 30 10 CJEE C=CCc1cc(N)ccc1OC[C@@H](C)C1CCCCC1 312352456 TXSQXWKNCUOXGH-CQSZACIVSA-N 273.420 4.593 30 10 CJEE C=CCCCCN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 312437955 BFIXZPBGWDZZLT-QXAKKESOSA-N 271.448 4.905 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](O)C1(C)C 312457907 ABWPICMSVQCUQN-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CC(C)(C#N)c1ccc(NCc2ccsc2Cl)cc1 312619076 SVRLYFYMVVNLML-UHFFFAOYSA-N 290.819 4.815 30 10 CJEE CC1(C)CCC(Cn2ccc3cc(C#N)ccc32)CC1 313150804 RRGFEUOKRPKKBT-UHFFFAOYSA-N 266.388 4.729 30 10 CJEE N#CCc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 313410396 NGWCTXSWRSNKIB-UHFFFAOYSA-N 299.786 4.759 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccccc1Cl 313420077 BXLICJPECCZHQD-GFCCVEGCSA-N 270.763 4.579 30 10 CJEE C=C(CC)CN[C@H](CCC)c1ccc(Cl)cc1 313489169 RHOWKMYCYHJIRW-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE CC1CCC(C=O)(CCc2ccc(Cl)cc2)CC1 317169265 ICNYEEYQUVADBP-UHFFFAOYSA-N 264.796 4.668 30 10 CJEE C=CCCCCCCNCC/C=C\c1ccccc1 322904108 GURKJBWPKGDOGK-GDNBJRDFSA-N 257.421 4.816 30 10 CJEE C=C([C@H](NCCC)[C@H](CC)CCCC)C(F)(F)F 385676776 ZYHNHAQFVVXNTI-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CCC(C)(C)COCc1ccsc1Br 388972920 CQAGTFXQVLQXMR-UHFFFAOYSA-N 289.238 4.630 30 10 CJEE Fc1ccc(C(F)F)c(SC(F)(F)F)c1F 396099983 LGZPVIJJCWTEHU-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE CCC[C@@](C#N)(Nc1ccc(Cl)cc1)[C@H]1CC1(C)C 397679906 JZSWFNMBGZFRMD-HOCLYGCPSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCC[C@@H](C[C@H]1CCOC1)NC 400944120 CJQORUFLRVPRPQ-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC(=O)C[C@H](C)NC(=O)OC(C)(C)C 405694974 GBEFJLGXDGCMNA-AWEZNQCLSA-N 299.455 4.609 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCC(C)(C)C2CC2)C1 406122902 JCUCDRZEBATUHL-PBHICJAKSA-N 250.426 4.988 30 10 CJEE C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C)(C#N)CC1 506031721 MSKYKOTVEQFXDQ-LLVKDONJSA-N 297.229 4.680 30 10 CJEE FC(F)(F)C(F)(c1ccc(Cl)s1)C(F)(F)F 575433853 PIVRMPNFSQFBMM-UHFFFAOYSA-N 286.599 4.691 30 10 CJEE C=CCCCN(C)C(=O)N[C@@H](C)c1cccc2ccccc12 605946866 HWIALOBOKNCTIT-HNNXBMFYSA-N 296.414 4.508 30 10 CJEE N#Cc1cccc([C@H]2CCCCCN2Cc2ccccc2)c1 616629730 LUOPFCKNMIOZGS-HXUWFJFHSA-N 290.410 4.676 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(Cl)c1 686678178 NCJSCLPKLQTKBD-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE Cc1ccc(Cl)c(N=C2NC3(CCCC3)CCS2)c1 687324282 RITHYMCKQBFGNL-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE Cc1c(Cl)cc(Nc2cccc(C#N)c2)cc1Cl 690239616 FBIXUKAOBPBAKY-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C[C@@H]1CCCCC[C@@]1(C#N)Nc1cccc(Cl)c1 691099096 FQFMKXPICGAIAT-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 692227726 SARRTDJKEMXVGB-DIKXUDHVSA-N 275.480 4.926 30 10 CJEE C=C1C[C@H]2CC(NCC3CCC(F)(F)CC3)C[C@@H](C1)C2 697271139 VBYOHMVZWXUFDV-XYPWUTKMSA-N 283.406 4.536 30 10 CJEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698467495 ZHDRUNXIADUGLO-QGZVFWFLSA-N 294.439 4.639 30 10 CJEE CC(C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)(C)C 700615057 AYKDMVMULODNIZ-QGZVFWFLSA-N 296.455 4.740 30 10 CJEE CCCCCCCCC[C@@]1(N)CCO[C@@H](C(C)C)C1 704834370 ITTCQNCGNDOXDM-IAGOWNOFSA-N 269.473 4.660 30 10 CJEE CCCCCCCC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C 707989892 TZBYEHFRRNFSCX-CQSZACIVSA-N 299.455 4.562 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)[C@@]12CCCC[C@@H]1C2 709207663 WDYGCOYCTYKIFE-GHJWDPDVSA-N 274.795 4.592 30 10 CJEE C=C(Cl)C[C@]1(CNCCC)CCC[C@@H](CC)C1 710678957 MRGUMMBQGBPSBX-HUUCEWRRSA-N 257.849 4.715 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CC(C)(C)OC2(C)C)C1 711325998 UITBINXPWRQNSH-JKIFEVAISA-N 263.425 4.690 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(Br)c(C)c1 715720621 OUQVNRXITBOZJM-NHYWBVRUSA-N 296.252 4.620 30 10 CJEE CCSc1cccc(SCC(C)(C)C)c1C#N 718771576 HZBMWZRKDMIUHL-UHFFFAOYSA-N 265.447 4.808 30 10 CJEE CCC1(CC)CCCN1CC1(CS)CCCCC1 721993475 GWLACOIIPQMABM-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE C=C1CCC(C[C@H](CC(C)(C)CC)NCC)CC1 724615086 BSHZADDTCRLLRH-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CSc1cc2c(CC#N)csc2cc1C(F)(F)F 725316247 NAVCMAXESLCHRC-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCOc1ccc(/C=C/C(=O)c2sccc2C)cc1 733749781 YQPSDLPDGVUTRB-RMKNXTFCSA-N 284.380 4.517 30 10 CJEE C=CC[C@H](C(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1124374907 GGHKMPZHOTZOTE-SFHVURJKSA-N 280.367 4.569 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)ccc2NC)c1 1179748104 XYZJNICQCRJKAE-UHFFFAOYSA-N 266.388 4.682 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc2c(c1)CCCC2 1179997054 BLXIUWJILDKJMS-UHFFFAOYSA-N 291.438 4.754 30 10 CJEE C#CCCCCCC(=O)N[C@@H](CC(C)C)c1ccccc1C 1265136616 PBUAFXGIIOISTG-IBGZPJMESA-N 299.458 4.782 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](CC)c1ccc(F)cc1F 1266803205 YRMSARMSPMSRRE-ABAIWWIYSA-N 282.330 4.561 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1ccc(SCCC)cc1 1267954877 YDCOKJHAAKBXLR-CQSZACIVSA-N 292.444 4.834 30 10 CJEE C=CCCCCCN[C@H]1CCC[C@@H]1CCC(C)C 1307691163 QJMRJNFGXRYHCM-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CC1CCN(C(=O)Nc2cccc([C@H](C)CC)c2)CC1 1311016374 MOORWUJQWYTOBN-CQSZACIVSA-N 286.419 4.630 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)NCC[C@H](C)CCC 1313223284 DWZRCKYFWFCOGE-MRXNPFEDSA-N 294.483 4.591 30 10 CJEE C=CCN(C(=O)/C(F)=C\C1CCCCC1)c1ccccc1 1352311107 CZOWYHMDMVTSKP-SAPNQHFASA-N 287.378 4.639 30 10 CJEE C=CC1(CC(=O)Nc2ccc3nc(C)oc3c2)CCCCC1 1355086342 MYDBZFUWOLJSSQ-UHFFFAOYSA-N 298.386 4.601 30 10 CJEE C=C(C)CCC(=O)O[C@H](C)c1ccc2c(c1)CCCC2 1357228539 OERYJHOPFYBGOS-CQSZACIVSA-N 272.388 4.526 30 10 CJEE C=CCCCCCN(C)C(=O)C(C)(C)CC(C)(C)C 1360897111 BPKHMVAQGKNXJS-UHFFFAOYSA-N 267.457 4.654 30 10 CJEE C=CCCc1ccccc1NCc1ccc(C(F)F)nc1 1461457904 CCVRMBMPCFJLPD-UHFFFAOYSA-N 288.341 4.750 30 10 CJEE C=CCCCCCN(C)C/C=C/c1ccc(F)cc1 1474370139 VTCLNWYFHVPRDH-CMDGGOBGSA-N 261.384 4.517 30 10 CJEE C=C1CCC(C(=O)N(C)CCCCCCCCC)CC1 1517909912 BTCBFNHGUJDCFP-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C#CCCCCCC(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 1525031673 ZQWQVMXCXOOOIW-DLBZAZTESA-N 291.479 4.539 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc(C(F)(F)F)c1C 1525110867 HBWSKGOILKBPPI-LLVKDONJSA-N 285.309 4.555 30 10 CJEE C=CCCCCCCCNC(=O)C1(C)CCCCC1 1527549364 GVALIGOKMQIFIN-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1oc2c(C)cccc2c1C 1534843106 BWANTTYQILXCTE-CYBMUJFWSA-N 285.387 4.524 30 10 CJEE C=CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1)c1ccccc1 1536364165 KGRDZSIARNJDIN-CAMMJAKZSA-N 299.458 4.677 30 10 CJEE C=C1CCC(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)CC1 1537980187 DORQWMIDMOWZFA-IBGZPJMESA-N 297.442 4.660 30 10 CJEE C=CCCCC[C@@H](C)NCc1ccc(C(C)(C)C)o1 1560971554 IPDZSJUVPLZAFS-CQSZACIVSA-N 263.425 4.802 30 10 CJEE C=CCC1(NC(=O)c2cc(Cl)ccc2Cl)CCCC1 1586371549 IWGBRIUNJVGWBI-UHFFFAOYSA-N 298.213 4.612 30 10 CJEE C=C[C@H](C(=O)N1CCCC[C@@H]1CCC(C)C)c1ccccc1 1636191759 KZZVPTUUTPJGOZ-MOPGFXCFSA-N 299.458 4.774 30 10 CJEE C=CCC1(NC(=O)/C=C(\C)c2cccs2)CCCCC1 1640769838 XGAFVTSUBPUAON-BUHFOSPRSA-N 289.444 4.547 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@H]1CCCC1(F)F 1641653398 OKDNCYZMFKOWJQ-QGZVFWFLSA-N 293.401 4.543 30 10 CJEE C#CCCCCCCN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 1642307585 LDIKTMQVAIRVGW-CVEARBPZSA-N 287.422 4.717 30 10 CJEE C=CCCC[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 1643115532 OWAMVHQZVKOATL-HNNXBMFYSA-N 299.443 4.925 30 10 CJEE C=CCN(CCC1=CCCCC1)CC1CCCCC1 1644603436 VHLPNXGJFRVUAW-UHFFFAOYSA-N 261.453 4.945 30 10 CJEE C=CCCN1Cc2cc(OC)ccc2C[C@@H]1C1CCCCC1 1652697124 SNQMNIMZWPQTEZ-HXUWFJFHSA-N 299.458 4.578 30 10 CJEE C=CCCCN(Cc1c(Cl)cccc1Cl)C1CC1 1654383838 ZMWZKZNGAGMNDQ-UHFFFAOYSA-N 284.230 4.924 30 10 CJEE C=CCCCNCc1cc(-c2ccccc2C)ccc1OC 1656193332 WCFFJRMZHZRGLW-UHFFFAOYSA-N 295.426 4.726 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1CCCOc2c(F)cccc21 1657548921 AMSOUYPRBQPJSQ-PBHICJAKSA-N 291.410 4.764 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(F)c(Cl)c1Cl 1657649899 XJEQHLVYAXOTBQ-SNVBAGLBSA-N 290.209 4.967 30 10 CJEE C=CCC1(NCc2ccc(C3(C#N)CC3)cc2)CCCCC1 1657962770 PYLCEGVCBWXHLJ-UHFFFAOYSA-N 294.442 4.610 30 10 CJEE C=CCCCCN[C@H](C)CCc1cccc(C(F)(F)F)c1 1658935573 VIZFEGMIABZCGQ-CQSZACIVSA-N 299.380 4.972 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cnn(CC(C)C)c2C2CC2)C1 1659342917 NHXWMLYOBWBTSE-ZBFHGGJFSA-N 287.451 4.573 30 10 CJEE C=CCCC1(CNC(=O)O[C@@H](C)CC(C)C)CCCC1 1665005836 MPLFCFOSZDCRFR-HNNXBMFYSA-N 281.440 4.674 30 10 CJEE C=C(C)CNC(=O)Nc1cccc(Sc2ccccc2)c1 1671787161 WDAPXYXKQCWABI-UHFFFAOYSA-N 298.411 4.535 30 10 CJEE CCCCc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 1874593679 WHNXEYXYKGPLHK-SDNWHVSQSA-N 294.394 4.934 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)C1(C(C)(C)C)CCC1 1876770765 WCHPGRWSTRVBSO-OAHLLOKOSA-N 263.469 4.621 30 10 CJEE C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C1CCC1 1878559367 SCUUITJPTWOKQT-JKSUJKDBSA-N 296.241 4.836 30 10 CJEE CCCCCCCCN(C)Cc1csc(CCC)n1 1883335366 QCSXEXUDTLEIHE-UHFFFAOYSA-N 282.497 4.888 30 10 CJEE C=CC[C@@H](C)c1cccc(Br)c1Cl 1883971454 RTOOCLUFCQBTNW-MRVPVSSYSA-N 259.574 4.782 30 10 CJEE CC#CCCCCC(=O)COc1ccc(Cl)cc1Cl 1885343104 XGZWOPKYRSLZET-UHFFFAOYSA-N 299.197 4.525 30 10 CJEE C=C1CCC(C[C@]2(O)CCCC[C@@H]2C(F)(F)F)CC1 1886405624 UZTHIHRIFUXSFY-UONOGXRCSA-N 276.342 4.607 30 10 CJEE CCCCCCCN(C)CCNc1cccc(Cl)c1 1887060824 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2344358146 TXGYSLXOKPHWIP-QWHCGFSZSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C/C=C/c1ccccc1)NC 2344375652 NZXCNBSWADRJJP-WOKGBUJHSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C(F)(F)F)c1 2344385811 RQPPDKFWOQSUOJ-KGLIPLIRSA-N 271.326 4.698 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc2c1CCCC2 2344477192 RMDKUAWNLVNQOX-MSOLQXFVSA-N 258.405 4.591 30 10 CJEE CC1(C)CC(CS)(CO[C@H]2CCCC(F)(F)CC2)C1 2344991967 KUVFLXQHTZRAGV-LBPRGKRZSA-N 292.435 4.707 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC#CC1CCCCC1 2352109155 BTWFGDYYQNPHKV-QGZVFWFLSA-N 282.493 4.569 30 10 CJEE Cc1cc(Cl)c([C@H](O)C#CC2CCCCC2)c(Cl)c1 2353080695 OBCZGAZWVDDJDQ-OAHLLOKOSA-N 297.225 4.919 30 10 CJEE CC(C)C[C@H](CS)CN1CC[C@H]1C1CCCCCC1 2353839636 MCSSSCKHEBQWAE-RDJZCZTQSA-N 283.525 4.623 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCC[C@H]1c1cccs1 2353841417 NRUKIICAUVJMDX-CABCVRRESA-N 297.533 4.867 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2C[C@H]2C2CCCCCC2)CCC1 2357718614 XBNBDGOSOXNRAZ-RCCFBDPRSA-N 275.480 4.927 30 10 CJEE Cc1cccc(/N=C\Nc2cccc(C)c2C)c1C 32641746 QIWDNXSRSOPHLO-UHFFFAOYSA-N 252.361 4.692 30 10 CJEE O=C(/C=C\c1ccccc1)/C=C/C=C/c1ccccc1 35005610 ISTXRHJZVWZATL-QNWCNZHSSA-N 260.336 4.539 30 10 CJEE CC(C)[C@H](Nc1ccc(CC#N)cc1)c1ccccc1 37302003 KDPFMKBDIAPNNX-SFHVURJKSA-N 264.372 4.562 30 10 CJEE CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1 49541004 IUYYSDDZCGDALV-CZUORRHYSA-N 284.428 4.812 30 10 CJEE CC(C)c1cccc(N[C@H]2CCCCC[C@H]2C#N)c1 54824676 HPEHOHXHQFYFMK-RDJZCZTQSA-N 256.393 4.694 30 10 CJEE Cc1cccc(OCCCSCc2ccc(C#N)cc2)c1 58239810 BXYCIOVOYCHNOA-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCCCCOc1ccc([C@H](C)N)cc1 59088184 NPISRSPATCKZGV-HNNXBMFYSA-N 263.425 4.836 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(Cl)cc1 59211533 RKUJVXVTBZRJNC-OAHLLOKOSA-N 277.795 4.877 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc2cccnc12 69502920 OPJFRILMOOFEKV-MRXNPFEDSA-N 293.757 4.565 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2ccc(OC)cc2)CC1 86949148 SHJRKMHNPGBOEW-MAUKXSAKSA-N 286.419 4.750 30 10 CJEE CCCCCCCOc1ccccc1CN[C@H](C)CC 100128677 UHPILRCZKGGHAR-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1Cc2ccccc21 102970728 DGSSRTBQXWFJJI-DOTOQJQBSA-N 259.437 4.665 30 10 CJEE C#CC[C@@H](CC)c1ccc(Oc2ccccc2)cc1 107634151 NGEYAYFHBRWCJX-OAHLLOKOSA-N 250.341 4.996 30 10 CJEE C=C[C@@H](C)Cc1c(C)c(Cl)cc(C)c1OCC 107650451 JGWTYDOUXVMZSU-SNVBAGLBSA-N 252.785 4.720 30 10 CJEE CCCCCCCCCCN(CC(=O)O)c1ccccc1 109671491 ACFNTIHIUJKTFE-UHFFFAOYSA-N 291.435 4.718 30 10 CJEE CCCCCCCCO[C@H](CC)[C@H](O)c1ccccc1 110023335 DVYJIIVKGAPOJN-QZTJIDSGSA-N 278.436 4.876 30 10 CJEE CCCCc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 110163070 MHLWKROZRWSFEZ-WMZOPIPTSA-N 270.420 4.914 30 10 CJEE CCCCCCCCCN(CC)C1(CN)CCCCC1 112995008 IEGJMIAQFOOIBB-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ccn(C)n1 115688950 CLCHGPAFQZGEFM-KRWDZBQOSA-N 280.456 4.765 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc([C@H](C)O)cc1 115858886 UIGHVSHKQAYQBC-HNNXBMFYSA-N 291.435 4.819 30 10 CJEE CCCCCCCC[C@@H](NC)C1Cc2ccccc2C1 116270203 DGPVZCRQSUELGK-LJQANCHMSA-N 273.464 4.740 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@](C)(CC)N(C)C 118152052 WKAVKDKXXVEUKM-SJORKVTESA-N 270.505 4.575 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)O)cc1C 123334742 ROJGTIZMSWQCCZ-HNNXBMFYSA-N 264.409 4.788 30 10 CJEE CCCCCCC[C@H](Cc1c(F)cccc1F)NCC 125560950 PGNFRYILSKVRKQ-CQSZACIVSA-N 283.406 4.846 30 10 CJEE CCCCCCCCNc1nc(Br)cs1 126919949 RWBBMPBTULYHGC-UHFFFAOYSA-N 291.258 4.678 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccoc1C 130817814 KFSZQYHIVULZFH-INIZCTEOSA-N 266.429 4.623 30 10 CJEE CSc1cccc(Sc2ccc(F)c(F)c2)c1C#N 136991978 MHAUZHKPJOGNOR-UHFFFAOYSA-N 293.363 4.710 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CSc2ccccc21 140359662 SIQVKMUTKMZGQA-HOTGVXAUSA-N 277.477 4.954 30 10 CJEE CCCCCCCCn1c(Cl)nnc1C(C)(C)C 147376146 BBCCBAIXZWYXLT-UHFFFAOYSA-N 271.836 4.590 30 10 CJEE CCCCCCCCCCNc1cccc(C(=O)O)c1N 156705141 BOMRFSHAIAQYGX-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE CCCCCCCCCCNCCc1csc(C)n1 226315249 MPAQJSDLGBILQA-UHFFFAOYSA-N 282.497 4.724 30 10 CJEE C/C(CCc1ccc(OC2C[C@H](C)C[C@@H](C)C2)cc1)=N/O 226885580 RTGIWGGSSYEONK-MTIWBGSGSA-N 289.419 4.673 30 10 CJEE C=CC[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228392514 JJLNSJSFZDBMBU-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE CCCCCCCC[C@@H](N)c1cncc(OCCC)c1 229123133 MENHLEXXHJPWDA-QGZVFWFLSA-N 278.440 4.621 30 10 CJEE C=CCC[C@@H](C)Nc1cccc(Cl)c1Br 235418457 ZGTCPDSBLUIAAQ-SECBINFHSA-N 288.616 4.869 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc(Br)ccc2F)CC1 235617318 ODQKJBZFZSRTEO-SECBINFHSA-N 297.167 4.517 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)ccc1C(F)(F)F 236315721 FGAGHXAZBZIMPZ-CQSZACIVSA-N 289.316 4.981 30 10 CJEE CCCCCCCCC[C@]1(CO)C[C@H]2CC[C@H]1C2 250794158 AADLGOGYWRIXFD-YESZJQIVSA-N 252.442 4.926 30 10 CJEE CC(C)(C#N)C[C@H]1Cc2cc(C(F)(F)F)ccc2S1 260253307 KRJKSYOPRMBJDP-LLVKDONJSA-N 285.334 4.662 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@H](C#N)Nc2ccccc2Cl)C1 300077584 DLMNYCFDSQVILT-RBOXIYTFSA-N 274.795 4.636 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCCC[C@H]1C 300520930 OHBBQIQYTSAILI-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCC(F)(F)C1 302330689 IVQYJLFJQUNNNF-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnc(OC)s1 311432504 DCTPDBBVTRNVNL-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(C)cc(C)n1 311920166 GMPNPLDQHXPIJP-INIZCTEOSA-N 262.441 4.710 30 10 CJEE C[C@H]1C[C@@H]([C@]2(C#N)CCCc3ccccc32)CC[C@H]1C 312641816 ZUTDXHMIOWUMRI-WXSAJPJJSA-N 267.416 4.857 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2c(n1)CCC2 313087606 MIKYWECVZSQKIU-SFHVURJKSA-N 275.436 4.744 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)c1c(F)cccc1Cl 313586138 YOGJONHPQSOGGN-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC1(C)CC[C@H](CC2(C=O)CCC(C(C)(C)C)CC2)O1 317577147 MQZQSVMAERGVLT-SWKXRBFHSA-N 280.452 4.756 30 10 CJEE C#CCCCC1(CNCC(C)C)CCC(CC)CC1 318639148 VFKDTCWHFCEPDR-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1ccc(Br)cc1 319627764 ANRJXCRBOPLEGP-MISXGVKJSA-N 280.209 4.738 30 10 CJEE C[C@@H]1CC=C(C(=O)CC/C=C\c2ccccc2)CC1 323809480 NMIMHQQMPAXMKK-HMZQOCAUSA-N 254.373 4.796 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(C)c1C 379884408 VVYZIFQAYDGNTC-SFHVURJKSA-N 271.448 4.784 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC(F)(F)c2ccccc2)C1 381678248 SGWMVFILFNYCDK-UKRRQHHQSA-N 263.331 4.889 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H](OCC(C)C)C1(C)C 383651786 OFWBSTALUWJXSN-SJORKVTESA-N 281.484 4.552 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC1=CCCCC1 388636187 AMCPWILSSKLSBS-QGZVFWFLSA-N 261.453 4.685 30 10 CJEE CC(C)C1CCC(C#N)(COC2CCCCC2)CC1 394035610 LWAXOBOCGIWHFL-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2ccc(Cl)c(Cl)c2)O1 394108018 KRGZQPIAGCFUCU-UONOGXRCSA-N 284.186 4.691 30 10 CJEE CC1([C@H](C#N)Nc2cccc(Cl)c2)CCCCC1 394725423 NVAUNUDYINKUFT-AWEZNQCLSA-N 262.784 4.614 30 10 CJEE N#CCc1c(F)cccc1-c1cc(Cl)ccc1Cl 514261924 RFFUKRZTTVCLTA-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCCCN(C)C(=O)c1ccccc1Oc1ccccc1 605645254 MIGIBHWRIUEBAV-UHFFFAOYSA-N 295.382 4.517 30 10 CJEE CCCCCCCCCC[C@]1(CO)C[C@@H](C)O[C@H]1C 686436101 YFWWLENARAYUSX-IXDOHACOSA-N 270.457 4.693 30 10 CJEE C#CCCCCCC1(O)CCC(c2ccccc2)CC1 686678943 ZWCPJCFPFPADNM-UHFFFAOYSA-N 270.416 4.659 30 10 CJEE C[C@@H]1CC[C@@](C=O)(CC2(c3ccccc3)CCCC2)C1 686745100 PUIVSGCWFAWGNO-AEFFLSMTSA-N 270.416 4.894 30 10 CJEE Cc1ccc(N=C2NC3(CCCC3)CCS2)c(Cl)c1 687323234 LHHBZIYIXZLGFG-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CC(C)(C#N)CCCCNc1cccc(C2CC2)c1 690161151 VGUKADVBKNXNQJ-UHFFFAOYSA-N 256.393 4.696 30 10 CJEE CCCCCCC[C@H](NCC)[C@@]12CCCC[C@@H]1C2 693186632 VLIJJQIQRJPZFU-IXDOHACOSA-N 251.458 4.905 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1cc(Cl)cc(Cl)c1 695782390 RFHUYYKLXICYRH-VIFPVBQESA-N 272.175 4.701 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1nc2ccccc2s1 695878758 CSUWYHJYKQRJTP-JTQLQIEISA-N 276.430 4.717 30 10 CJEE CCCc1c([C@@]2(C)CC[C@@H](C)C2(C)C)sc(C#N)c1N 699029100 ZAWNWCPYRBWWNU-PIGZYNQJSA-N 290.476 4.868 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCCOC2CCCCC2)C1 699955714 ZMYXAGPOJBXKRR-DOTOQJQBSA-N 266.425 4.511 30 10 CJEE C=CC[C@H]1CCCCN(c2ccc([C@H](C)O)c(Cl)c2)C1 703689795 YQUFPBBHZNJVQE-KBPBESRZSA-N 293.838 4.576 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CC1(c2ccccc2)CC1 704045305 WENAULRUOJNSGG-YJBOKZPZSA-N 256.389 4.504 30 10 CJEE N#Cc1ccc(Oc2cccc3sccc23)c(F)c1 705108488 YCHKDMOXOVSAIR-UHFFFAOYSA-N 269.300 4.704 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cncc(Cl)c1 705893329 ZXBXZMJUACYCBS-INIZCTEOSA-N 282.859 4.746 30 10 CJEE C[C@@H]1C[C@H](N(C)[C@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 708763959 MXUQFPHYQQAPTI-QZWWFDLISA-N 276.468 4.605 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1 714262350 QNXLEJWJTDFGOU-UWWQBHOKSA-N 268.404 4.638 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1CCC(C(C)C)CC1 715767039 ANTHYYOWRZJUSU-OTBWCIGPSA-N 251.458 4.639 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC(C)(C)CC[C@H]3C)C[C@@H](C1)C2 717491969 UPTOTQVFENXXDE-FNNOIMFVSA-N 275.480 4.926 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1cccc(Cl)c1C#N 717552592 FJRDIMYPBHMWFJ-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C(C)(C)C)s1 717892620 BSRMYSLZCWTNIV-UHFFFAOYSA-N 265.466 4.880 30 10 CJEE CCCCCCCCCN[C@H](C1CC1)[C@@H]1CCCOC1 723986107 HSPMAFHKSRUJPW-QZTJIDSGSA-N 281.484 4.532 30 10 CJEE C#CCCCC(=O)O[C@H](CC)c1ccc(C(C)(C)C)cc1 1127683705 MTPQMIAPHACGCL-QGZVFWFLSA-N 286.415 4.782 30 10 CJEE C=C1CCC(CNC(=O)c2ccccc2C(C)(C)CC)CC1 1133320634 SRNNUMVGTCVUPF-UHFFFAOYSA-N 299.458 4.850 30 10 CJEE C=CCC1(C(=O)Nc2cncc(C(C)C)c2)CCCCC1 1134450930 PPKNHFGHZIPXFT-UHFFFAOYSA-N 286.419 4.670 30 10 CJEE C=C[C@H](C(=O)Nc1ccccc1C(F)F)c1ccccc1 1142762095 BHKCTSONIFMQGP-ZDUSSCGKSA-N 287.309 4.533 30 10 CJEE N#Cc1cc(Cl)ccc1CSCc1ccccc1 1165432487 FKFGKOFSSFOGEJ-UHFFFAOYSA-N 273.788 4.645 30 10 CJEE C=CCC1(NCc2cc3cc(F)ccc3o2)CCCC1 1179159262 KXGDIENXUHDYAH-UHFFFAOYSA-N 273.351 4.550 30 10 CJEE CC1(C)CCC(Sc2nc(Cl)c(C#N)s2)CC1 1186130498 AXTYOUQHFMABQK-UHFFFAOYSA-N 286.853 4.729 30 10 CJEE C=CCn1c(SCSC(C)(C)C)nc2ccccc21 1188062788 PMDCFEKOAIPSDQ-UHFFFAOYSA-N 292.473 4.804 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1csc2cc(C)ccc12 1266594964 NSFWGGUIAVDDOP-CYBMUJFWSA-N 287.428 4.684 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CCCCC 1280286302 QRBAXNNVPUBYHM-HZPDHXFCSA-N 265.441 4.550 30 10 CJEE CCCCCCCCCCN(C)c1cccc(O)c1 1307569197 QAUNHPLZJUZASB-UHFFFAOYSA-N 263.425 4.969 30 10 CJEE CCCCCCCCCCN1CCC[C@H]2COCC[C@@H]21 1307582492 FLPZLTPRZBFSSX-ROUUACIJSA-N 281.484 4.628 30 10 CJEE C=CCCC[C@H](C)NC[C@H](C)CC1CCCCC1 1308345734 MVBSLITWZUJJRZ-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(CCCCC)cc1 1350021031 QQVPOXNRWMOBAV-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=C(C)CCC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 1350045122 ROZYQKHWAPSOOG-GFCCVEGCSA-N 299.336 4.581 30 10 CJEE C=CCC[C@@H](C(=O)NCCC1CCCCC1)c1ccccc1 1350197648 AKGZOWSHGNXFLE-LJQANCHMSA-N 299.458 4.823 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)c2cc(C)oc2C)CCCCC1 1351825298 UDKJGJZDTNYXAM-AWEZNQCLSA-N 289.419 4.600 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C(C)C)c1 1358273867 ICWNYALOEPGAPS-CVEARBPZSA-N 299.458 4.728 30 10 CJEE C=CCCCCCN(C)C(=O)c1cc2ccccc2cc1F 1435241324 OHFWNFYCGKHOJS-UHFFFAOYSA-N 299.389 4.797 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1cc2c(Cl)cccc2s1 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259.418 4.565 30 10 CJEE O=C(C=Cc1c(Cl)cccc1Cl)c1cccs1 2313510824 WBLPXLVNASOTPP-UHFFFAOYSA-N 283.179 4.951 30 10 CJEE C=CC[C@H](C)OC(=O)C=Cc1cc(Cl)cc(Cl)c1 2313642783 VKUIKIHVKVDYDA-JTQLQIEISA-N 285.170 4.514 30 10 CJEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNCC 2313699523 SNKYTDUBCSIHGK-JTQLQIEISA-N 287.831 4.645 30 10 CJEE CCCCCCCCCN(C)CC(C)(C)C(F)F 2315114289 JODAHHKDZUMFSQ-UHFFFAOYSA-N 263.416 4.960 30 10 CJEE C=CCC(CC=C)[C@@](C)(CCCC)CNC(C)C 2316746962 MJHPHIRCUOTKSA-KRWDZBQOSA-N 251.458 4.949 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CC[C@@H]1C(C)(C)C 2320102061 CEDDZPYLHSNWNO-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](N)CC1CC(CC(C)(C)C)C1 2321101687 LALQXDDUFPFLJA-YMAMQOFZSA-N 251.458 4.769 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(F)c(C)c1Cl 2321101998 NHHQTOILGVQIKZ-CABCVRRESA-N 269.791 4.780 30 10 CJEE C=CC[C@H](C)[C@H](CC=C(C)CCCC(C)C)NC 2321104307 FEHRSQHGVRTNEZ-IRXDYDNUSA-N 251.458 4.949 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2333365716 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C=CC[C@@](C)(CC)[C@@H](O)Cc1cccc(C(C)C)c1 2344461194 YFYKHBNNRHUHFD-ZWKOTPCHSA-N 260.421 4.706 30 10 CJEE C=C[C@]12C[C@H](CCN1CC[C@H](C)CCCC(C)C)C2 2351691122 ZQGRPJVHUUTDTB-KURKYZTESA-N 263.469 4.879 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@H]1C1CCCC1 2352068041 JCHDIAHHAGLWGA-NVXWUHKLSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H]1OC 2358685568 GVHXOFZCTSDGCX-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](CCC[C@@H]1C[C@@H]1C)OCCN 2360090696 LGNIWFYGIYWXFN-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(F)cc1C 2360202137 RFPAVFKEPHBAMP-PBHICJAKSA-N 295.467 4.873 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219952 PCSIDPLLLMUDCL-XJKSGUPXSA-N 293.838 4.664 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCCc3ccccc32)c1 21016611 HMVFOFXUBKWSNN-LJQANCHMSA-N 261.368 4.548 30 10 CJEE C#Cc1cccc(N[C@H](CC)c2cccc(Cl)c2)c1 21030069 JUPPIZWGQLQRQQ-QGZVFWFLSA-N 269.775 4.885 30 10 CJEE CC(C)c1cc2c(cc1O)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC2 32271347 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CJEE CCCCCCC[C@H](NCC)[C@](C)(CC)N1CCCC1 118161375 NRNREXSWIFCCBF-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC(=O)[C@H](C)[C@H](N)c1ccccc1 122804974 KANHRPWWKZGVPN-YJBOKZPZSA-N 275.436 4.642 30 10 CJEE C[C@H](C#N)CSc1ccccc1NCCc1ccccc1 123607655 WVNKGVLTEWIGNW-OAHLLOKOSA-N 296.439 4.593 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1c(F)cc(C#N)cc1F 127466016 SGZLLJBOZIJAEQ-UHFFFAOYSA-N 293.700 4.899 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)OCC 130018702 XXACUYFSUGQPOL-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C#CCCC[C@H](NCC)C1CCC(C(C)(C)C)CC1 130310363 QLVJYGHIXUOEPA-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCNc1nc(C)c(C(=O)O)s1 133266436 MYBXMPHNZMSRTB-UHFFFAOYSA-N 298.452 4.702 30 10 CJEE CC(C)Cc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1 135670118 YSEFOPSKKVWUTM-AWEZNQCLSA-N 298.455 4.669 30 10 CJEE CCCCCCCC[C@H](CC[C@@H](C)OC)NCCC 140306673 TVLWLASBTIQWEY-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](CCOCCC)NCCC 140348185 IZJQKACYZGHJPF-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCNC1(C(=O)O)CCC1 147322961 NREUNNNIUXWRSF-UHFFFAOYSA-N 283.456 4.504 30 10 CJEE C=C(C)C[C@@H]1CC(C)(C)CC[C@H]1CNCC(C)C 156328015 CYEHPJCIWSCJPJ-JKSUJKDBSA-N 251.458 4.641 30 10 CJEE Cc1cc(Nc2c(C)cccc2C(C)C)c(C#N)c(C)n1 156550198 AOXGIXRKZDJCTD-UHFFFAOYSA-N 279.387 4.746 30 10 CJEE CCCCCCC[C@H](N)[C@@]1(OCC)CCC[C@H](C)C1 158462341 LLNQOJSOGQPFPY-YESZJQIVSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@@]1(CNCC(C)C)CCO[C@H]1C 159712114 UNZVAZDATMNXNS-ROUUACIJSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCCCS1 161236019 DKJLQUXTYVZQIL-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@](C)(CC)OC 163526346 JVFDCMNASZCASX-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c(C)c1 164392490 KOOPNOZKDWTFEZ-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Nc2cccc(F)c2)s1 166123731 GLASIEDQOLYBAP-CYBMUJFWSA-N 288.391 4.861 30 10 CJEE CCCCCCC[C@H](NC)[C@H](OCC)c1ccccc1 168161383 GDXYSQFBEZBMIK-ZWKOTPCHSA-N 277.452 4.713 30 10 CJEE CCCCCCCCCCCC[C@H](C)[C@@H]1CNCCO1 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229172777 TZCAEOIBKYCLBL-VUIFSPAJSA-N 297.442 4.721 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(F)cccc1Cl 229759235 CUHPQMVOXUAODN-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 230988886 NMXYLYIONFYVHC-SWLSCSKDSA-N 276.811 4.838 30 10 CJEE CC[C@@H](C)c1ccc(OCCCC(C)(C)C#N)cc1 232342470 GBJJLPJAJBOYJZ-CQSZACIVSA-N 259.393 4.909 30 10 CJEE CCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCC1 232938972 MFKXXANYEVQJBD-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](OCC)C(C)(C)C 233605268 MTWGTLDBGWXMSP-CVEARBPZSA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(N(C)C)cc1 233608910 HIHCYEARDFRJIA-GOSISDBHSA-N 274.452 4.540 30 10 CJEE C=CCCCCCOc1ccc(Br)cc1C 235747768 REBWWEOARPUKRT-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE Cc1cccc(NCc2c(Cl)cccc2Cl)c1C#N 235898718 LZJVMVRZPVNZLK-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE SCCCCCCCCCSC[C@H]1CCCO1 236573158 XUHLELPJEZBQBB-CQSZACIVSA-N 276.511 4.559 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@H](C#N)c1ccccc1 251510309 IDHSOEUEUZZCMB-ZBFHGGJFSA-N 298.817 4.640 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@](=O)[C@@H](C)C(C)C)C1 300446781 OKXMSQIGUQTSSI-CAFLLTJSSA-N 297.508 4.524 30 10 CJEE CC(C)(C)C[C@@H]1CCN(CC2(CS)CCCCC2)C1 307771868 GXFFQHJBANZXCG-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE C[C@@H](CCS)CCSc1ccc2ccccc2n1 310695644 PGTQHSIWFSWTGJ-LBPRGKRZSA-N 277.458 4.673 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@@H](CC#N)O1 311244236 ZITGPQDEJPLBBQ-HOTGVXAUSA-N 251.414 4.978 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(CC#N)c1 313436147 LJZYVCSWRKBDMT-ZTFGCOKTSA-N 270.420 4.625 30 10 CJEE Cc1cc(F)ccc1CC1(C=O)CCC(C(C)C)CC1 316881809 RGCGQJMUACAAOW-UHFFFAOYSA-N 276.395 4.708 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 316913422 VSRNLZNYGLOOCP-JJTUDDRGSA-N 250.426 4.844 30 10 CJEE C=C1CCN(c2ccc([C@@H](C)NCCC)cc2Cl)CC1 382576711 GKKHBADZFIZCPI-CQSZACIVSA-N 292.854 4.557 30 10 CJEE CC1(CC/N=C2/NCC3(CCCCC3)CS2)CCCC1 383810263 BVQMVEFLMTWTKU-UHFFFAOYSA-N 294.508 4.600 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1cccc(F)c1Cl 387437386 PBKKYBUVOIUSSR-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=C(C)CCOc1cc(C)c(Br)c(C)c1C 390615771 CVXKNYBTKAVWIK-UHFFFAOYSA-N 283.209 4.719 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](CC)CC(F)(F)F)NN 402440705 NNRYVGOBMSTGCP-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE CCCCCCCC[C@H](C[C@@H](CC)CC(F)(F)F)NN 402440707 NNRYVGOBMSTGCP-ZIAGYGMSSA-N 296.421 4.938 30 10 CJEE C=CCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCCC 403421809 QIDFJLHQERKREA-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE C[C@](C#N)(CCCCc1ccccc1)c1ccccc1 405682808 UMDFGDZMKQYOLX-LJQANCHMSA-N 263.384 4.881 30 10 CJEE Fc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 575379568 BZTCBJUCONZMPZ-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CC2CCC1CC2 686695298 WDZLZUYINTXZCG-GMNCBBECSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)COC[C@H]1C 688010529 VETLKVOYVAPJCF-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CO[C@@H]1CCC[C@@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688340374 BTDXWMBNMJMSIU-UONOGXRCSA-N 263.425 4.548 30 10 CJEE C[C@@H]([C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1)C(C)(C)C 688342208 LTMJWRWEAXOEER-UONOGXRCSA-N 279.468 4.776 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](OC)C1CCC1 692735107 JHZDPIPAGVTBJL-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](C)N1CCC[C@@H](C)[C@H]1CCCN 693505143 WUQVXYQNYLDGBU-FGTMMUONSA-N 282.516 4.575 30 10 CJEE Cc1cccc(C#N)c1N(C)Cc1cc2cscc2s1 693984418 GNWYRSINNKWOFJ-UHFFFAOYSA-N 298.436 4.779 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@H]1CCC12CCCC2 694273603 YFMIBZHPKIGHDE-INIZCTEOSA-N 295.536 4.911 30 10 CJEE C[C@@H]1CC(C/N=C2/N[C@H](C(C)(C)C)CCS2)C[C@H](C)C1 695335214 NXCOWPDNAPVEGV-IXXDHKBRSA-N 296.524 4.556 30 10 CJEE CCCCCCCC[C@@H](NN)c1csc(C(C)C)n1 695352044 YRWHRYKYNXIXOB-CYBMUJFWSA-N 283.485 4.522 30 10 CJEE C=CCCCCC[C@H](NCCC)c1csc(CC)n1 695438921 JBGREGHKFXILAK-AWEZNQCLSA-N 280.481 4.883 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1 695742742 DKUXCDNFVLVJDJ-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CCCCCCCCC[C@@H](O)/C=C\c1ccc(N)cc1 696090891 XDWOFQOYFIRFDO-WTQUMQLASA-N 275.436 4.784 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1C[C@H]2CC(=C)C[C@H](C1)C2 697268669 BPDTZBLVJBIXMI-LSTDLKDCSA-N 273.464 4.846 30 10 CJEE CCCCCCCCn1c(C)cc(C(=O)O)c1C1CC1 701377442 VJEVIPDJLNKUNG-UHFFFAOYSA-N 277.408 4.733 30 10 CJEE CCCCCCCNCc1cc(C)nc2ccccc12 703709224 UDRBTLBJNYHUDC-UHFFFAOYSA-N 270.420 4.603 30 10 CJEE CCCCCCCNC[C@@H](c1ccccc1)C(C)C 703776098 FAMSRMFSXSFXLI-GOSISDBHSA-N 261.453 4.986 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccsc2C(F)(F)F)c1 704320124 YXXYKVUBKUQXPF-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE CCCCCCCC[C@]1(N)CSCCC1(C)C 704844925 QZTTYQPLSHBABF-HNNXBMFYSA-N 257.487 4.598 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@H]1N 708062638 GKNABHZINZQGJH-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCC[C@@H]1CCCN(CC2(CS)CCCCCC2)C1 708466049 DQFUNKMRNTXYPK-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC(=O)CC1(CSC)CC1 710156549 AFFBZGBLDOXIAC-UHFFFAOYSA-N 256.455 4.839 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(Cl)c1F 710592436 MEFJFWCNOWBSOO-GFCCVEGCSA-N 276.182 4.662 30 10 CJEE C=C(Cl)C[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 710641169 LLYUGEKTPBTIKR-UONOGXRCSA-N 271.876 4.960 30 10 CJEE CCCCCCCCCCNC[C@@H](C)[C@@H]1CCCCO1 712063778 XXMWOTQANIXDML-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCC[C@H](C[C@H]1CCCC1(F)F)NCCC 713953279 VTECKMPWFNPSQG-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 714394887 AZHDNAQBAGAZKP-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C)c(Cl)c1 715702995 FRIXHFWDATVSNW-DOMZBBRYSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1C(F)(F)F 715705824 OYZNSMSEBAJMAG-DOMZBBRYSA-N 285.353 4.958 30 10 CJEE C=CC[C@H](C)c1c(C)c(Br)c(C)c(C)c1O 715710247 OWJRWQHNWCLJHV-QMMMGPOBSA-N 283.209 4.760 30 10 CJEE C=CC[C@H](C)[C@H]1CC(C)(C)CC[C@@H]1CNC(C)C 715785709 DXSFDWNRXONNJD-ARFHVFGLSA-N 251.458 4.639 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2CCCS2)CC1 715817389 INBLXONMJRPDGU-SLTAFYQDSA-N 251.439 4.628 30 10 CJEE CC1(C)CCCCC[C@@H]1Nc1ccc(C#N)cc1Cl 719308366 NDOCYODCSMCVAE-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE C=CC(C)(C)CCNCCc1cc(Cl)cc(Cl)c1 722143091 OBWRVOSTXUOFNW-UHFFFAOYSA-N 286.246 4.728 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)N1 723657647 BXRMKFXGWCYFLJ-KLZNWCGWSA-N 294.508 4.597 30 10 CJEE C=C1CCC(C[C@H](CCCc2cccs2)NC)CC1 724550227 UHJQBKLTZSNYCY-INIZCTEOSA-N 277.477 4.795 30 10 CJEE C=CCCC[C@@H](C(=O)NC1CCCCCC1)c1ccccc1 1124322967 LFZKLIHIXBCCHT-LJQANCHMSA-N 299.458 4.966 30 10 CJEE C=CCOc1ccc(OC(=O)C(C)(C)CCCCC)cc1 1126533427 NMXFAETXRZNUHO-UHFFFAOYSA-N 290.403 4.763 30 10 CJEE C=CCCCCNC(=O)c1ccc2c(c1)oc1ccccc12 1128274722 QVSJZLROVGBMDY-UHFFFAOYSA-N 293.366 4.672 30 10 CJEE C=CC(C)(C)CNC(=O)[C@@](C)(CC)CCCCCC 1128868183 GHWSKOUSUYVMRN-KRWDZBQOSA-N 267.457 4.702 30 10 CJEE C#CCCCCCCOc1cc(Cl)ccc1Cl 1164447313 FXBXGDHTAWIFHA-UHFFFAOYSA-N 271.187 4.956 30 10 CJEE C=C(CC)CN(C)Cc1ccccc1-c1ccccc1 1190712769 DVMTWIDVTVITEG-UHFFFAOYSA-N 265.400 4.752 30 10 CJEE C=CC(C)(C)CCCNC(=O)NCC1(C)CCCCCC1 1225430422 OIDMQXRPGMEJMQ-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE C=CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1 1270034145 ZPAVWZIMTBVIHN-UHFFFAOYSA-N 295.382 4.565 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 1289567222 RFEXAVIAMDFMJY-UHFFFAOYSA-N 289.737 4.765 30 10 CJEE C=CC[C@@H]1N(C[C@@H](C)CC(C)C)CCCC1(C)C 1307730236 WIICKCRXORLXCJ-HOTGVXAUSA-N 251.458 4.735 30 10 CJEE C=CCC[C@H](CC)NCCn1ccc2cc(Cl)ccc21 1308752098 UFPFPYKWLUKESS-INIZCTEOSA-N 290.838 4.629 30 10 CJEE CCCCCCCCC(=O)Nc1nc2c(s1)CCCC2 1349662612 OHNBDYYHBHALEN-UHFFFAOYSA-N 294.464 4.711 30 10 CJEE C=CCC[C@H](C(=O)Nc1ccc(C)c(C)c1)c1ccccc1 1349855155 GIEQEGDFGZYRLN-IBGZPJMESA-N 293.410 4.992 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 1435416880 PNNMVAXUABAUSE-AEFFLSMTSA-N 299.458 4.631 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H]2CCCC3(CC3)C2)CCCC1(C)C 1436083634 KKVXUARVINHGIH-HOTGVXAUSA-N 289.463 4.550 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@H](CC)c1cccc(OCC)c1 1457290192 KEYFIGKKESZEDA-AEFFLSMTSA-N 290.403 4.682 30 10 CJEE C=C[C@H](CC)CC(=O)NCC1CCC(C(C)(C)C)CC1 1457668577 RLUDAAAPTNHOSQ-QQFBHYJXSA-N 279.468 4.557 30 10 CJEE C=CC[C@@H](C)Sc1nc2cc(Br)ccc2o1 1459206361 BXMJRNBQWSOYDB-MRVPVSSYSA-N 298.205 4.647 30 10 CJEE C=CCSc1ccccc1C(=O)NCC[C@H](C)CCC 1462526477 YJRRTZSXWYTLFQ-CQSZACIVSA-N 291.460 4.521 30 10 CJEE C=CCCC(C)(C)NC(=O)C1CC(C)(C)CC(C)(C)C1 1540156842 XQOKMPDXGLKZFH-UHFFFAOYSA-N 279.468 4.700 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C)c(Cl)c1F 1544262907 ISWIYUCTVXIZNP-UHFFFAOYSA-N 297.801 4.654 30 10 CJEE C=C1CCC(C(=O)Nc2cc(C(C)C)c(O)cc2C)CC1 1566589051 OOXFSPIKCFTKSX-UHFFFAOYSA-N 287.403 4.509 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2ccccc2Cl)c1 1585977784 ONNVDXPVWSZUGB-UHFFFAOYSA-N 285.774 4.554 30 10 CJEE C=C[C@H](C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)c1ccccc1 1625518375 BNWXOPLXDPNRHI-NXHRZFHOSA-N 299.458 4.629 30 10 CJEE C=C(CC(C)C)C(=O)N(Cc1cccc(C)c1)CC(C)C 1625817606 HOZKIPMHHYJBLO-UHFFFAOYSA-N 287.447 4.582 30 10 CJEE C=C[C@H](C(=O)Nc1c(C)cc(Cl)cc1C)c1ccccc1 1637820851 RCDQVJARPMLPLQ-INIZCTEOSA-N 299.801 4.865 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccccc1OC(F)F 1653080913 FSIWZYUSSDSFCE-ZDUSSCGKSA-N 283.362 4.685 30 10 CJEE C=CCCCCCN1CCCc2cc(C)cc(F)c21 1653623669 RRXOLMDNQVUGGM-UHFFFAOYSA-N 261.384 4.633 30 10 CJEE C/C(=C/c1ccccc1)CNc1ccc(C2CC2)c(C#N)c1 1656851872 KGNIJXLXHVYROA-PTNGSMBKSA-N 288.394 4.951 30 10 CJEE N#Cc1ccc2c(c1)CCC[C@H]2NC1CCCCCCC1 1659474718 DMJKBHULMIIEHR-LJQANCHMSA-N 282.431 4.638 30 10 CJEE C=C(C)CCNCc1ccccc1-c1ccccc1C 1662498841 JUWZNXMEMVPWSD-UHFFFAOYSA-N 265.400 4.718 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](CC)CC(F)(F)F 1664170657 AUJPWAVRKFOAHT-STQMWFEESA-N 265.363 4.832 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](Cc1cccnc1)C1CCCC1 1665510837 RWNVAZYKAVKVHY-MOPGFXCFSA-N 286.463 4.517 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 1883427505 FPDHEQVRBLMBCQ-OWSLCNJRSA-N 265.485 4.961 30 10 CJEE CCCCCCCCCCN(CC)[C@@H]1CCCOC1 1883835401 QONLABKZUMJYOJ-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE CCCCCCCCCCN1CC[C@](C)(CC)C1=O 1883835568 SGGBTPQYKRUSID-KRWDZBQOSA-N 267.457 4.776 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CC[C@@H](C)OC1 1883835666 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1926184952 KLTROZPYCLNGMM-OAHLLOKOSA-N 255.522 4.615 30 10 CJEE CCCCCCCC[C@H](N)c1nc(C)c(C)s1 1942509133 AMWOWHJGZWDIRJ-ZDUSSCGKSA-N 254.443 4.510 30 10 CJEE N#Cc1ccc(Oc2ccnc3ccccc23)c(Cl)c1 1963528414 UYASRTKBWNNYED-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCCC2(CCC2)C1 1970487651 MPEJMYMBEZWMKP-GFCCVEGCSA-N 274.795 4.736 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cc2cscc2s1 1975911243 NUGIORLOLWJVQI-SECBINFHSA-N 250.388 4.748 30 10 CJEE CC#CC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2000328986 DGBCJOHXVJRDDZ-NSHDSACASA-N 290.621 4.711 30 10 CJEE C#CCCCCC(=O)c1cc2sc(C)cc2s1 2005477827 RQDPEVZUMNIDTQ-UHFFFAOYSA-N 262.399 4.648 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)CC(C)C 2026286785 QZSIRGRSDDWJAM-QGZVFWFLSA-N 259.459 4.606 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CCC[C@@H]1C(F)(F)F 2031698050 DDCZLRXSEJDITO-AGIUHOORSA-N 265.363 4.653 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1[C@H]2CCCC[C@H]21 2032812583 PBJUPBVFUIKGSZ-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE Cc1sc(Cl)cc1[C@@H](N)CC#CC1CCCCC1 2037190452 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C=CC1(C[C@H](N)c2ccccc2C(C)(C)C)CCC1 2111707791 ICWYLWFCGNSBKK-INIZCTEOSA-N 257.421 4.730 30 10 CJEE C=CC1(C[C@H]2CCCC[C@@H]2CNCC(C)C)CCC1 2111719315 CSCCIDYPFMSILS-IAGOWNOFSA-N 263.469 4.785 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2CCCC[C@H]2C)CCC1 2111720960 JFHRTOHHRLWHQB-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C[C@@H]1CCN(CCCCCCCCCS)C2(CC2)C1 2115371967 AVPAESPYKPLFRJ-MRXNPFEDSA-N 283.525 4.911 30 10 CJEE C=CCCC[C@@H](Cc1cccc(Cl)c1C)NCCC 2116482088 JHTAGEQWZIAIEA-INIZCTEOSA-N 279.855 4.915 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(CCC)c1 2116658861 TXGHPJKIQIFVPO-CRAIPNDOSA-N 259.437 4.892 30 10 CJEE C#CCCCCC1(CNC2CC2)CCCCCCC1 2116878066 ZGIJIORACLIMJT-UHFFFAOYSA-N 261.453 4.663 30 10 CJEE C=CCCC(C)(C)CN[C@H]1C[C@H]2CCC[C@](F)(C1)C2 2118922343 NYLDHLYFJJOORM-HLLBOEOZSA-N 267.432 4.629 30 10 CJEE N#Cc1cc(F)c(NCC[C@H]2CC=CCC2)cc1Cl 2120889317 NSZYEDKNOJQAOC-NSHDSACASA-N 278.758 4.509 30 10 CJEE C=CCCCC[C@H](CCc1cccc(C)c1)NCC 2123081329 VVIFGDCLEOINFA-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)C1=CC[C@@H](C(C)C)CC1 2125139106 WHCRXGQPFJBHQW-JZXOWHBKSA-N 263.469 4.949 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2CCCCC2(F)F)CC1 2125219390 XUWCKGQFVCSBAI-JSGCOSHPSA-N 270.363 4.764 30 10 CJEE C=CC[C@@](C)(Nc1c(N)ccc(Cl)c1C)C(F)(F)F 2125765725 KZBRPVXYMJLPOO-GFCCVEGCSA-N 292.732 4.540 30 10 CJEE Cc1cccc(C)c1C[C@]1(C#N)CCCC(F)(F)C1 2128414385 HLDWYFZCAVVWII-OAHLLOKOSA-N 263.331 4.565 30 10 CJEE C=CC1(CN[C@@H]2C[C@H]3CCCC[C@]3(C)C2)CCCC1 2132967744 BJJOZICKWQMEKS-BRWVUGGUSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1C[C@@H]1c1ccccc1 2135467786 DTFAXCLFLCXVMF-FGTMMUONSA-N 260.421 4.902 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1cc(C)cc(C)c1C 2138357391 RVPVWAUHMATLIR-GOSISDBHSA-N 257.421 4.542 30 10 CJEE CCCC#CC[C@H](O)C1CCC(CCCCC)CC1 2138964207 SXICADJAMUZDJA-ABHNRTSZSA-N 264.453 4.928 30 10 CJEE CCCCC#CC[C@H]1CCCCC[C@@H]1CNC(C)C 2138993494 JJTWRXPRDQWTAJ-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CC(C)[C@@H]1CC[C@H](Nc2cc(Cl)c(F)cc2C#N)C1 2141205575 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CCCCCCCCC(=O)[C@H](O)c1ccc(C)c(C)c1 2147035182 UIXFNABZHGETIP-GOSISDBHSA-N 276.420 4.657 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@@H](C)CC(C)C 2147899876 LKINCMJNDSXSOS-BZSNNMDCSA-N 285.516 4.888 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](O)[C@H](C)CC 2148590446 MMYWMHGATQGVGN-FGTMMUONSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(O)CC1CCCC1 2148591697 QEPTYUWXPRBIMN-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C1CCCCCCC1 2149871872 VTSHVWHYAJEXGQ-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CCCCCCCO[C@H]1[C@H]2CCCC[C@H]2C[C@H]1NCC 2151573414 WFDWRZNGFNHXJK-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE Cc1cc(CSc2cc3ccccc3[nH]2)ccc1C#N 2153513841 BOZSJJAOHNOOOK-UHFFFAOYSA-N 278.380 4.640 30 10 CJEE CCCCCCCC(=O)[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1 2154228459 ASATVIMBLCHLLN-NJAFHUGGSA-N 280.452 4.637 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnn(CC)c1C 2154653077 BYUTWJVRXCISPN-KRWDZBQOSA-N 279.472 4.742 30 10 CJEE CN(CC1(CS)CCCCCC1)C1C[C@@H]2CCC[C@H]2C1 2156116706 MKEDCGBBFWZFPC-HOTGVXAUSA-N 295.536 4.767 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CN[C@@H](C)C1 2156549247 FSGSYUMHBJAMRQ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2nc3c(s2)CCCC3)CC1 2157111112 JKXGZHUDNYRJGQ-QGZVFWFLSA-N 288.460 4.774 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CO[C@@H](C)C1)NC 2159342269 GWAOTRARFMWPJR-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=CCOc1ccc([C@H](NCC)[C@@H](C)[C@H](C)CC)cc1 2164123045 NKGBHZAUZYSMCL-RVKKMQEKSA-N 275.436 4.584 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CC2(CCCCC2)CO1 2166228224 QPVOWZDRVUNBHY-JFIYKMOQSA-N 278.436 4.511 30 10 CJEE C#CCCCCC[C@H](C[C@H]1CCC12CCC2)NCCC 2166771135 PZVIMEVKJVVPLL-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2ncccc2C(C)(F)F)C1 2168678618 NUPFNUNJWNDKAT-WBMJQRKESA-N 278.346 4.555 30 10 CJEE Cc1ccc(N(C)C2CCCCCCCC2)c(C#N)c1 2168877561 AAFLGKWLIXBOHC-UHFFFAOYSA-N 270.420 4.806 30 10 CJEE C#CCCCCCC[C@@H](NCCC)c1ccc(F)cc1 2169691525 QAFIYZVJZKECCH-GOSISDBHSA-N 275.411 4.840 30 10 CJEE N#C[C@@]1([C@@H](O)c2ccc(Cl)cc2)CCCCC12CCC2 2173627926 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CJEE C=C1CCC(C[C@@H](NCC)C(F)(F)C2CCCC2)CC1 2185224504 POVLQNXPMJEDIQ-MRXNPFEDSA-N 285.422 4.927 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CCOCC1(C)C 2189777431 RHJSPLWSKAYKAC-SJORKVTESA-N 281.484 4.554 30 10 CJEE CO[C@@H]1C[C@@](C#N)(CC2CC(C(C)(C)C)C2)C12CCC2 2190394049 VOEYFIFQVCHBAQ-OCUYMYNFSA-N 275.436 4.548 30 10 CJEE CCCCCCC[C@@H](C)NCc1cc(C(C)(F)F)on1 2192908587 OCVXOAJYJSXDTC-GFCCVEGCSA-N 288.382 4.625 30 10 CJEE CCCCCCCCCCNCCC[C@@H](CC)C(=O)O 2193314355 RSVZLLCKYXRQAF-MRXNPFEDSA-N 285.472 4.608 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccccc2OC(C)C)CC1 2196503768 MJYCRIFSFAMHLE-QGZVFWFLSA-N 274.404 4.644 30 10 CJEE CCCCCCCN(C)[C@H]1CC(CC)(CC)CC[C@H]1O 2196725345 GTHGANDOLIPKAZ-DLBZAZTESA-N 283.500 4.608 30 10 CJEE C=C(c1ccccc1)[C@@H]1CCCC(F)(F)[C@H]1NCCC 2197155414 PLOYJKDCCULXTK-HOTGVXAUSA-N 279.374 4.503 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2C[C@H]2C2CCCC2)CC1 2200044755 NDNFAERHPLAVQT-FHWLQOOXSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@H]1C(C)(C)C 2200493225 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CJEE C=CCCCCCC[C@H](CC[C@H]1CCCCO1)NCC 2206902565 LKLNLOZNZLHEPE-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)C1CC(C)C1 2207375424 GAJZZWCIBMMKHW-LEOMRAHMSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCN1C[C@@H](CC)OC[C@@H]1CC 2207377983 KLKQMXVZMPQXHI-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC[C@@H](NCCC)C(C)(C)O 2207415303 RSXHEWHHMQUJSV-QGZVFWFLSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]12C[C@H](OC)[C@@H]1C2 2207425537 RTMSYQDABRAKRO-XYJFISCASA-N 278.436 4.677 30 10 CJEE C=CCCCCCCCCCC(=O)c1cncnc1C 2207430018 PMMXSKLERGLCJD-UHFFFAOYSA-N 274.408 4.665 30 10 CJEE CCCCCCCC[C@H](CN)N(CCCC)[C@H](C)CC 2207444631 KXNJBGYHLDCQFW-QZTJIDSGSA-N 284.532 4.965 30 10 CJEE C=CCCCCCCCN1CCC(Cl)=C(Cl)C1 2214620041 DUDBJWNDRRZIBD-UHFFFAOYSA-N 276.251 4.908 30 10 CJEE C=C(C)CC[C@@H](C)NCc1cc(C)cc(Br)c1 2215780098 IZDKWIDTWQPUQR-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE C=CCCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 2218642474 WPNPGZSKVCLAFN-AWEZNQCLSA-N 286.246 5.000 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1c(Cl)cccc1Cl 2219205123 VVSUJJHVFRXUKP-VXGBXAGGSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCCC1(C(=O)O)CC(CC)C1 2220087848 STEXJFQLRLODCC-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CCC[C@@H]1SC 2220097096 KXBDTOPMRDEQLU-CVEARBPZSA-N 269.498 4.729 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@]2(Cl)CC2(C)C)CC1 2222062618 HCHQHLOCQDAYKO-HOTGVXAUSA-N 270.844 4.960 30 10 CJEE CC1(C[C@]2(C#N)CC2(C)C)CC2(CC(F)(F)C2)C1 2222907434 XPVRQBUBVNVLNH-AWEZNQCLSA-N 253.336 4.532 30 10 CJEE CCCCCCCCCCCO[C@@H](C)C(=O)CC 2223235235 RVZGCIBSLNQMRR-HNNXBMFYSA-N 256.430 4.901 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](N)c1ccc(Cl)s1 2223235496 UEVVSLASUPQVOO-NEPJUHHUSA-N 287.856 4.553 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC[C@@H]1C(F)(F)F 2224362600 UMIKLZYWNAMCKE-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CCN[C@H](C#CC(C)(C)C)Cc1cc(Cl)ccc1Cl 2225665109 ASVKFGPUXRLSHP-CQSZACIVSA-N 298.257 4.564 30 10 CJEE CCCCCCC[C@@H](NC)c1nc(C(C)(F)F)cs1 2226457096 DOXCYNFOVZANIO-LLVKDONJSA-N 290.423 4.876 30 10 CJEE C=CCCCCCCCNC1(C(F)(F)F)CCCC1 2227270104 DEXMWDLGWVWOMJ-UHFFFAOYSA-N 277.374 4.978 30 10 CJEE O=CC1(C[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCSCC1 2230718601 WRBUOTKNWMRJLA-OAGGEKHMSA-N 280.477 4.695 30 10 CJEE CCCCCCCCCO[C@H]1CCN[C@@H](C(C)C)C1 2230985904 ZYDTVVSAYVHKGY-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=C[C@H](CCCCC)OCc1ccc(C#N)cc1C 2231095126 KKSGXLWJOCCCOJ-QGZVFWFLSA-N 257.377 4.518 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2231522141 VPZYIMIVPIZYPC-KFGODFMUSA-N 263.469 4.783 30 10 CJEE C=CCCC[C@@H](CCCC(F)(F)C(F)(F)F)NCC 2231745200 PSOJTRYBFOFVME-NSHDSACASA-N 287.316 4.689 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NC)C(CC)CC 2231927859 HPRUKMVNASRJQA-IAGOWNOFSA-N 271.489 4.512 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2occc2c1 2232407799 QFEPXLCWHRTRDD-INIZCTEOSA-N 257.377 4.830 30 10 CJEE C=CCCCCOC1(C(=O)O)CCCCCCCCC1 2234051781 SLTQJVBDOSUWJB-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSCCCCC1CC1 2235466874 WOFGYTRZDIIUHJ-QGZVFWFLSA-N 296.524 4.750 30 10 CJEE C=CCCCCCCCNC[C@H]1C[C@H]1c1ccccc1 2235520525 AILZUUGUOKZCFG-MOPGFXCFSA-N 271.448 4.906 30 10 CJEE C=CCCCCCCC[C@@]1(CNCCC)CCCCO1 2235523948 KWMVPSPGGSHRHH-SFHVURJKSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCC[C@]1(O)CCCN(CCC)CC1 2235532589 LWJNPZIVEZHKDM-SFHVURJKSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CCOC12CCCC2 2235542259 QRDCITQSNQKYDQ-INIZCTEOSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCN(C)[C@H](CC)c1ccncc1 2235542461 SIQZQMPSFSVHAU-GOSISDBHSA-N 274.452 4.991 30 10 CJEE CCCCCCCCN(C)CC(C)(C)CN[C@H](C)CC 2238533494 UDWYMIFXKHIEIX-QGZVFWFLSA-N 284.532 4.693 30 10 CJEE CCCCCCCCCOC[C@H]1NCCC[C@@H]1C(C)C 2239487927 VIJDULASDLZYPU-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE C=C[C@@H](CCCCC)OC[C@H](NCCC)C(C)(C)CC 2239511213 SPBJCROCYDMSIO-IRXDYDNUSA-N 283.500 4.942 30 10 CJEE CCCCCCCCCO[C@@H]1CC2(CCC2)CC[C@@H]1O 2239546199 NEABWDXUDMNICC-DLBZAZTESA-N 282.468 4.837 30 10 CJEE CCCCCCCCCOC(=O)c1cccc(F)c1F 2239552588 MWWNLZCIVAPGOV-UHFFFAOYSA-N 284.346 4.872 30 10 CJEE CCCCCCCCCCCCCCOCCCON 2239555503 XGWXDFBZCPCNFA-UHFFFAOYSA-N 287.488 4.985 30 10 CJEE CCCCCCCCCCCCOC[C@H]1CC[C@@H]1CN 2239557006 PKLLYFWXPPLYCY-QZTJIDSGSA-N 283.500 4.909 30 10 CJEE NC1(C#Cc2cccc(Cl)c2)CCC2(CCCC2)CC1 2239566894 NHSULZJYRJYABB-UHFFFAOYSA-N 287.834 4.523 30 10 CJEE C=C1C[C@H]2CC(Nc3c(C)cc(O)cc3C)C[C@@H](C1)C2 2239652497 LFZIVRXLAKPUEQ-XYPWUTKMSA-N 271.404 4.556 30 10 CJEE CC[C@H](C)CSc1ccc(CN[C@H](C)CC)cc1C#N 2240010807 JZGGSUAJKKOYBT-UONOGXRCSA-N 290.476 4.585 30 10 CJEE C=CC[C@H](C)Oc1c(C)cc(CN[C@H](C)CC)cc1C 2240234833 NSDDIBVJFXEYBU-CVEARBPZSA-N 275.436 4.535 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(F)c(C)c1 2240764802 WXNQEJPDTPXKAC-IIDMSEBBSA-N 275.411 4.920 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(Br)cc1 2244626653 UYNCWAIESBKZRX-CQSZACIVSA-N 282.225 4.585 30 10 CJEE C=C(C)CCCCC(=O)Cc1ccc(Br)cc1 2250146867 YRMBKTZWGYGSAX-UHFFFAOYSA-N 295.220 4.697 30 10 CJEE N#CC1(C[C@H]2CCC[C@@H]2C(F)F)CCCCCC1 2257843332 ZJLVNEGCGKMIRQ-OLZOCXBDSA-N 255.352 4.922 30 10 CJEE C=CCCCSc1cc(C)c(CNC2CCC2)s1 2259047147 XCBHVEQIQYYMPB-UHFFFAOYSA-N 281.490 4.757 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@@]1(C)CCCCC1(F)F 2259198476 IUUVVEWHIGHXQN-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@@H](C(=O)O)c1cccc(Cl)c1 2259203409 GNWAACFZKHJDAV-CQSZACIVSA-N 266.768 4.645 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cc(Cl)cc(F)c1F 2259209718 CYSDITJRZOVQPD-CYBMUJFWSA-N 274.738 4.788 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@]1(C)CCCSC1 2259211096 JEYBQCHFJFEQBY-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C)[C@@H](CC)O1 2263650293 TWGABABRLFYGJV-ARFHVFGLSA-N 255.446 4.630 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)COCC 2263718413 QTNDAPPVWBYYRV-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C=C1CC(CCCC[C@@H]2C[C@@H]2C)(CNC(C)(C)C)C1 2265795617 SGXAXJGHEKZUFG-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE N#Cc1cc(F)ccc1SC[C@@H]1CCCCC1(F)F 2267994842 PICZHZBCBUZRTQ-NSHDSACASA-N 285.334 4.615 30 10 CJEE CC(C)C(C(C)C)[C@](C)(O)CC=CC#CC(C)(C)C 2268728024 JLJMDMYNHGMOLZ-GOSISDBHSA-N 264.453 4.661 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C1CCCC1 2268739375 PIUKVJKYVWCYCN-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE CC(=O)c1cccc(SCC=CC#CC(C)(C)C)c1 2268812339 YNVNSKQTYXUMAF-UHFFFAOYSA-N 272.413 4.587 30 10 CJEE CC(C)[C@@]1(CC=CC#CC(C)(C)C)CCCCCN1 2268828121 CVGZNBVEQYSBKH-GOSISDBHSA-N 261.453 4.541 30 10 CJEE O=C(C=C1CCCCC1)c1cc(F)cc(C(F)F)c1 2271737624 ZESXLRIDXGRLRC-UHFFFAOYSA-N 268.278 4.837 30 10 CJEE C=C(C)CCCC[C@H](N)C12CC3CC(CC(C3)C1)C2 2271780537 GXTFWNDCWJHXNA-LESVLKBLSA-N 261.453 4.667 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1(CC(F)(F)F)CC1 2271791580 MWJAEYHYKXHLBZ-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccc(C)c(C)c1)NC 2271837010 NKWJQJNHHASERE-GOSISDBHSA-N 259.437 4.570 30 10 CJEE C=C(C)CCCCOc1cc(Cl)ccc1[C@H](C)NC 2271840506 CMOZBBIEMYEVAH-ZDUSSCGKSA-N 281.827 4.746 30 10 CJEE C=C([C@H](NCCC)C1CC2(CC(C)C2)C1)C(C)(C)C 2272226489 YRQPFMAKEOUDFT-PTOXVTDRSA-N 263.469 4.783 30 10 CJEE CC(C)CCC[C@@H](C)CCNC[C@@H](C#N)C(C)(C)C 2272247519 LNCDFLXXXXLGBP-HZPDHXFCSA-N 266.473 4.614 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](N)CC#CC2CCCC2)CC1 2274181021 MCBZCFWONZUGSW-NJAFHUGGSA-N 261.453 4.504 30 10 CJEE C#CCCN(CC1CC(CC(C)(C)C)C1)C(C)(C)C 2274312139 WSETXIXPBUYXGO-UHFFFAOYSA-N 263.469 4.573 30 10 CJEE C=CCCCCCCCCNCC[C@H](C)OC(F)F 2274374370 KQILTFQRVCXMNG-AWEZNQCLSA-N 277.399 4.511 30 10 CJEE C=CCCCCC[C@](CC)(CCC)OCCC(=O)O 2275334854 YHYUZJBFOAWFPU-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCC[C@H](CC(CC)CC)OCCCN 2276221217 JJVXPTPWCOSTEJ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CCCCCC[C@H](OCCN)c1csc(C)c1C 2276996224 ZTFOCCHOIJDORN-INIZCTEOSA-N 281.465 4.518 30 10 CJEE Cc1cc(Nc2ccc(CC#N)cn2)c(Cl)cc1Cl 2277457917 JTBFEVLEZNPWIE-UHFFFAOYSA-N 292.169 4.507 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C(F)(F)F)s2)CC1 2277683891 IQCCVOZEIPLSJF-LLVKDONJSA-N 289.366 4.903 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C=O)CCc3ccccc32)C1 2279887884 ZMJBYUALUMFGOZ-MDZRGWNJSA-N 270.416 4.676 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@@]1(C#N)CCc2ccccc2C1 2280453601 WZDFMJFOFOQRDX-HHXXYDBFSA-N 267.416 4.902 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2csc(C3CC3)c2)CC1 2283080856 HXVWITLLWFKDMH-PDOTXMHQSA-N 289.444 4.769 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C(C)(C)c1ccccc1 2284074293 ADYYTCUCIBKZDA-UHFFFAOYSA-N 268.400 4.529 30 10 CJEE C#CC(C1CCCC1)(C1CCCC1)N1CCCCCC1 2285986033 PERLSPZUDPDUJM-UHFFFAOYSA-N 273.464 4.615 30 10 CJEE CCCCCCCNCCCN(CCCC)CCCC 2286801115 QULOKWQHLJORPO-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE C=CCCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC 2287075730 FLHKKTONQKOEEO-RCCFBDPRSA-N 289.488 4.610 30 10 CJEE CCCCCCCCCC[C@@](O)(CC)[C@H](C)CN(C)C 2288761860 FLRMUSZJUMQGPG-MSOLQXFVSA-N 285.516 4.856 30 10 CJEE CC(C)(C)c1ccc(C#N)c(SC2CC3(CCC3)C2)n1 2288953699 PTLKZBZAGTUSRG-UHFFFAOYSA-N 286.444 4.676 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H]1C(C)=CCC[C@H]1C 2289613441 AMPKCBOUNPQCQF-BHIYHBOVSA-N 273.464 4.541 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2289709168 HISPRSILVHTTRG-ISARSNTHSA-N 275.480 4.621 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2289759351 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IKZAAVBDBFOLMQ-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H]1CCC[C@@H](C)[C@H]1NCCC 2259212212 OAVPSFDODXJPIE-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@]1(O)CC[C@H]2CCCC[C@@H]2C1 2259232688 DXCODWPEBXJVGI-ZACQAIPSSA-N 250.426 4.844 30 10 CJEE CCCCCCCC[C@@](C)(O)C#CC1CCCC1 2260940165 KQROYEZVZGKHKR-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccsc1Cl 2261121789 AKAYQANXXTZECU-AWEZNQCLSA-N 281.852 4.636 30 10 CJEE SCCCCCCCN1CC[C@@H]1C1CCCCC1 2263206379 QHAJVMCDAUCZRE-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CCCC[C@H]1C(F)(F)F 2271786289 VBGVYCFZDPFYAF-MCIONIFRSA-N 277.374 4.819 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](C)CC[C@H]1CNC1CC1 2271793779 ZMMKOXUDWOHZTD-BBWFWOEESA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[S@](=N)(=O)C[C@H]1CCCCC1(F)F 2271838577 HPSSYBDPQPBTBZ-YJYMSZOUSA-N 293.423 4.605 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@]12CCCC[C@H]1CC2 2273315886 IVKKZPLDENCSBK-OKZBNKHCSA-N 261.453 4.519 30 10 CJEE C=CCCCS[C@H]1[C@@H](NCC)C(C)(C)CCC1(C)C 2274478959 FRUSLLNUYGPCNJ-CABCVRRESA-N 283.525 4.879 30 10 CJEE CCCCCCC[C@@]1(OCCN)CC(C)(C)C[C@H]1C 2276761535 LLRMTMGEUNKFAG-NVXWUHKLSA-N 269.473 4.517 30 10 CJEE O=C(CC#CC1CCCCC1)C[C@@H]1CCCCC12CC2 2279607150 OWYPHAJYNLVDBO-KRWDZBQOSA-N 272.432 4.890 30 10 CJEE C=CCCCCCC[C@H](O)c1ccncc1C(F)(F)F 2280285696 JWUMTEPRFQMBLC-AWEZNQCLSA-N 287.325 4.660 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CCCC12CC2)NN 2281375814 IVVBLJXOJTTXHK-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C[C@H]1CCC[C@](C#N)(Cc2ccccc2OC(F)F)C1 2282928112 MBFPPYNXBHGFND-BLLLJJGKSA-N 279.330 4.551 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@]1(C)CCCS1 2284086340 PKGVCROYHJZCQF-AEFFLSMTSA-N 293.520 4.636 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C(C)(F)F)ccn1 2284109303 LJGXLXFHKIPMMR-OAHLLOKOSA-N 285.378 4.977 30 10 CJEE CCCCCCCC[C@](C)(N)c1nccc2occc12 2284204108 XRBHIJGLSXBFFX-KRWDZBQOSA-N 274.408 4.752 30 10 CJEE C#C[C@]1(N2CCCCCC2)CCC[C@H](C(C)(C)C)CC1 2285982228 WXTUCYYTLWMFKO-HKUYNNGSSA-N 275.480 4.861 30 10 CJEE C=CCCCSc1ccc(CN[C@@H](C)CC)c(OC)c1 2287194044 SHXXAEZQAJOXMX-AWEZNQCLSA-N 293.476 4.642 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CCc2ccccc2C1 2287467857 QONWBMPMYDQHRJ-RBUKOAKNSA-N 271.448 4.516 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H](C)Oc1cccc(Cl)c1 2287468560 WEPLOYRNPVTUGV-WMLDXEAASA-N 295.854 4.832 30 10 CJEE CC1CC2(C1)CC(CN(C)CC1(CS)CCCCC1)C2 2287797292 WDOAYILVIHUPMH-UHFFFAOYSA-N 295.536 4.625 30 10 CJEE O[C@]1(C#CC2CCCCC2)CCCCCCCC1(F)F 2289777939 XPCPRKHYMHOECZ-INIZCTEOSA-N 284.390 4.681 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@]12CCCC[C@H]1CCC2 2289785347 KKEGRYQYGXAECJ-IPMKNSEASA-N 273.464 4.519 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1cccc(C(C)(C)C)c1 2290195542 WWKCYMWCIZWHAN-LJQANCHMSA-N 273.464 4.717 30 10 CJEE C=C1CC(C[C@@H](CCCCCCCC)OCC(=O)O)C1 2291464329 YXTFFSVVLJJYLG-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC[C@H]1C)OCCCN 2292630358 PUWQPHFHOLUZOR-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=C(C)CC[C@@H](OCCCN)C1CCC(C(C)C)CC1 2292882368 NIRFWZFHNAZRSI-DAWZGUTISA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1CC[C@H](C)C1 2293308136 YNBNGZIIUIPHMK-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CCC[C@](C)(OCCCN)C1CCC(C(C)C)CC1 2293416140 KVTWZAFTQBGSNW-ABHNRTSZSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC1(C)C)OCCCN 2293639539 OIVZLFGTGGOOND-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CC1CCCCC1)OCCCN 2294225431 RWKSAGNQEURTGI-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE Cc1ccc(C(=O)C=Cc2cccc(Cl)c2)cc1C 2294300349 NIDWGZKUERYSCU-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE CN(CCCCCCCS)Cc1coc2ccccc12 2294772983 LBCDIDUZNHFOBW-UHFFFAOYSA-N 291.460 4.745 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(NC(C)C)C(C)C 2295765839 HRXLTJCYXSUXIM-DLBZAZTESA-N 298.540 4.852 30 10 CJEE C=C(C)CCCNCCCCCCCCCCC(=O)O 2296305348 SJXXYSFQEHFJHX-UHFFFAOYSA-N 283.456 4.528 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](C)SC 2299417252 LCNNDYZEFZYKHA-CABCVRRESA-N 259.503 4.857 30 10 CJEE C#CCCCCCCNCc1cc(Cl)c(Cl)s1 2301096005 FOOHKMWYDVJZPL-UHFFFAOYSA-N 290.259 4.728 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(F)cccc1Cl 2304121044 YHUTVSLQZGTPSO-KBPBESRZSA-N 256.748 4.505 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1CNCCC 2313698130 JKJMMAXTCSTENJ-LBPRGKRZSA-N 283.868 4.896 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1sccc1CC 2321096840 VUKICRIZAJAGRF-HZPDHXFCSA-N 265.466 4.954 30 10 CJEE C=CCC(C)(C)[C@H](CC1(CC)CCC1)NCCC 2321096882 WJSIVWSCQZTILB-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)cc(F)c1Cl 2321107770 JIJOAZACEKDPAK-ZDUSSCGKSA-N 290.209 4.995 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC[C@@H]1CCCC1(F)F 2321228873 PXUIMRVKDCDGCQ-MJBXVCDLSA-N 260.368 4.555 30 10 CJEE CCCCCCC[C@@](C)(N)CCCOC(C)(C)C 2322039014 GXCBFXRRCVADIQ-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE C[C@@H]1CCCCC1=NOCCOc1cccc2ccccc12 2329917620 JCKQLFNFPZRKIJ-OAHLLOKOSA-N 297.398 4.801 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)C[C@H]2C=C[C@@H]1C2 2333365091 BZDDLLCDVJQLGU-RCCFBDPRSA-N 261.453 4.977 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@@H](N)C(C)(C)CCC1(C)C 2335098630 MCQGTXOWRRJTRR-HUUCEWRRSA-N 281.509 4.783 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC2(CC2)[C@@H]1NCCC 2335099267 UPAVSKLYIJVCQS-JKSUJKDBSA-N 279.493 4.551 30 10 CJEE C=CC[C@@H](C)SCc1c(C(=O)O)sc2ccccc12 2335204562 VEJSIYKFQUZFNO-SNVBAGLBSA-N 292.425 4.797 30 10 CJEE C=CCC(CC=C)C1(N)CCC2(CCCCC2)CC1 2338732157 GQWYVEVGTYPZNB-UHFFFAOYSA-N 261.453 4.977 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1(Cl)CCCC1 2340728990 WMFGHEGHQDCDCX-HNNXBMFYSA-N 289.891 4.633 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc2ccc(Cl)cc2n1 2341927312 VHZCHFDQRBWUJC-MRXNPFEDSA-N 274.795 4.505 30 10 CJEE SCCCCOC[C@H](c1ccccc1)C1CCCC1 2342483621 VGMXSRJNPFOVBX-QGZVFWFLSA-N 278.461 4.687 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1C[C@]1(C)C(F)(F)F 2344354771 BZXGKYGXERSEMS-BZPMIXESSA-N 277.374 4.545 30 10 CJEE C=CC[C@@H](C)[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCCC 2344380729 LPIAWGIORCAJHQ-XJFOESAGSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC(C)(C)c1ccccc1 2344468904 RKNGZGQYGBNXTN-SJLPKXTDSA-N 260.421 4.708 30 10 CJEE C[C@H](C1CC(C)(C)C1)N(C)C[C@@](C)(CS)C(C)(C)C 2352079293 JVQBSWDUEFAPJR-DYVFJYSZSA-N 285.541 4.725 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@H](C(C)C)CC1 2352198433 QTGFPPZYCNGECB-GOEBONIOSA-N 284.465 4.746 30 10 CJEE CCC1(CC)CSC(=N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)N1 2354138402 PLNMIAIRCAGTKS-OFQRWUPVSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@H]1C[C@@H]2CCO[C@@H]21 2358116945 BGTGCZUTEFYXJL-XLAORIBOSA-N 281.484 4.660 30 10 CJEE C=CCCCCCCCN(C)[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665324 BSEKHMPGMDDOOZ-XHSDSOJGSA-N 285.422 4.879 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc(F)c(C)cc1F 2360328171 SZKLWBHJOOSFBX-MLGOLLRUSA-N 299.430 4.622 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCC(C)(C)[C@@](C#N)(NC(C)C)C1 2360331542 UZFZHAZUBBNAGP-ZMSDIMECSA-N 294.508 4.523 30 10 CJEE C=CCC(CC=C)Sc1cc(C)nc(CNCCC)c1 2360383987 UJIFPWFRLMQRLN-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE CC/C(C)=N\Nc1nc(-c2ccc(C)cc2)c(C)s1 5614155 GKTSOAHSMAAJHM-BOPFTXTBSA-N 273.405 4.625 30 10 CJEE C=C1OC(=O)O[C@@]1(C)CC/C=C(/C)CCC=C(C)C 32215317 PNAFHLHESBUDJC-DDKJEQMHSA-N 264.365 4.899 30 10 CJEE C[C@@H](N[C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(C#N)cc1 35256436 IGWSAPXGPHZUHW-FDPIWHGQSA-N 282.431 4.568 30 10 CJEE CCCCN(CC)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37146086 VVTFBPOUNVNOAM-ZACQAIPSSA-N 278.484 4.853 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F 37393226 RTCMMIAUZWZTCP-VIFPVBQESA-N 292.716 4.663 30 10 CJEE COc1ccc(N[C@@]2(C#N)CCCC[C@H]2C(C)(C)C)cc1 37936487 BUCADMHGOVRZTN-FUHWJXTLSA-N 286.419 4.606 30 10 CJEE CCc1c(-c2ccc(Cl)c(Cl)c2)sc(C#N)c1N 44273752 BNBVAUYTTPKDMK-UHFFFAOYSA-N 297.210 4.738 30 10 CJEE N#C[C@@H](CCOc1ccccc1Cl)c1ccc(F)cc1 57685745 NUDBZQRMOUFBKU-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE Cc1cccc(C)c1OCC[C@H](C#N)c1ccccc1F 57686607 XWTRLPYEWGYRTH-OAHLLOKOSA-N 283.346 4.519 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N 59083407 DBNXUNKVOUJWKG-GBESFXJTSA-N 289.463 4.637 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(CN(C)C)c1 59431361 DTDVZWHUKXJANO-MRXNPFEDSA-N 276.468 4.909 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1CN(C)C 59487474 DYZOMHWBHCTYMM-MRXNPFEDSA-N 276.468 4.909 30 10 CJEE Fc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 59513753 PQVZGJYWBQPJGG-CAOOACKPSA-N 268.118 4.883 30 10 CJEE Cc1ccc(F)c(-c2cc(CC#N)c(C(C)C)o2)c1 77079075 ZQYUEISHLLLYKR-UHFFFAOYSA-N 257.308 4.584 30 10 CJEE CC(C)(C#N)CCCOc1cccc(C(C)(C)C)c1 87608998 ZFVWQODKWFZSQP-UHFFFAOYSA-N 259.393 4.693 30 10 CJEE CC[C@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)CC1 91903337 HVIMGUFXYDFPEY-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1CCCc2sccc21 97419719 VEFNSDZTCSJTFM-ZFWWWQNUSA-N 263.450 4.502 30 10 CJEE COc1ccc(/C=C2/C(=O)[C@](C)(C(C)C)CC[C@H]2C)cc1 100311975 KTSURIDWSSTAAA-AOOKUXKSSA-N 286.415 4.740 30 10 CJEE CCCCCCCCOCCCCCNC(C)(C)C 104004585 HEQFDOWRVBYQBU-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CCCCCCCn1c([C@H](N)CC)nc2cc(F)ccc21 105500490 DTSXZVRHFQBBIU-CQSZACIVSA-N 291.414 4.556 30 10 CJEE CC#CC[C@H](C)c1cc(Cl)c(OC)c(Cl)c1 107536752 VFYUOBPMZUVUMM-VIFPVBQESA-N 257.160 4.519 30 10 CJEE CCCCCCCCCCN1CCC(NCCC)CC1 109648379 DQOAPLYAPUCFNM-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)C1CCC(C)CC1 110018587 JFBZCCLENMGXKG-DAWZGUTISA-N 282.516 4.575 30 10 CJEE Cc1c(Cl)cccc1Nc1cc(Cl)ccc1C#N 110251614 ONCMOZVQCHFKEH-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@H](C(C)C)CCC1=O 110325809 JHLKLURZISQLKD-CABCVRRESA-N 266.425 4.557 30 10 CJEE CCCCCCCO[C@H]1C[C@H](NCCC)C12CCCC2 117340012 RBXWEXVWJOTKAM-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCn1cccc1[C@@H](C)N 118237854 JHQWJMVPXCZLJY-OAHLLOKOSA-N 250.430 4.649 30 10 CJEE CCCCCCCC[C@@H](C)CNCC(F)(F)F 122331915 CEHZFSDKUGYTPX-GFCCVEGCSA-N 253.352 4.525 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(C)c1Cl 130069239 WFGNQSPMMWHCSW-CQSZACIVSA-N 268.832 4.513 30 10 CJEE C#CCCC[C@@H](NCCC)C1CCC(C(C)C)CC1 134052221 KNAOTAKNXRUGJW-DAWZGUTISA-N 263.469 4.621 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cnns1 135569301 WWFVOBDXFKNCBP-AWEZNQCLSA-N 284.469 4.883 30 10 CJEE CCCCCCCCCCC(=O)COC(C)(C)C 135630667 DKLXAQORGJDGGC-UHFFFAOYSA-N 256.430 4.901 30 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CCCCCCC[C@@H](Cc1nc(C(C)(C)C)cs1)NC 228754880 RKQZFHMMWURROV-AWEZNQCLSA-N 296.524 4.932 30 10 CJEE C=C(CNC(C)(C)CCc1ccccc1)c1ccccc1 229293015 GPFJUYIPRYEITO-UHFFFAOYSA-N 279.427 4.701 30 10 CJEE CC1CCC(Oc2ccc(C#N)c3ccccc23)CC1 232859024 MMIMPOCTJSGVFG-UHFFFAOYSA-N 265.356 4.669 30 10 CJEE CCCCCCCCCOc1ccc(F)cc1C=O 232954145 XJBIJTBBCLTVOJ-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCSc1ccc(C(F)(F)F)cc1C#N 233089181 BVPASFSUSAOTOQ-UHFFFAOYSA-N 273.323 4.859 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncccc1Cl 233164569 MTYOIUVNTVTZMZ-OAHLLOKOSA-N 280.843 4.912 30 10 CJEE C=CCCCCC[C@H](NC)C1C2CC3CC(C2)CC1C3 234421302 QLEBWJFDCNJAHC-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2cccc(Cl)c2)cc1C 235908379 UTSUDOZJUAHADX-QGZVFWFLSA-N 284.790 4.942 30 10 CJEE O=C(C=C1CCCCC1)Cc1c(Cl)cccc1Cl 236034666 XPDWVQLPKBYJSH-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=CCCCCCOc1cc2ccccc2cc1O 236624255 HDKIGPAWKYTPDQ-UHFFFAOYSA-N 256.345 4.671 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 253110115 CXYOZGAVCMPNDV-UMSPYCQHSA-N 282.309 4.568 30 10 CJEE CSc1ccc(C2(C#N)CCCCC2)c(SC)c1 260593468 QKDGUVCYFKPRCM-UHFFFAOYSA-N 277.458 4.856 30 10 CJEE CC(F)(F)Cc1cccc(C2(C#N)CCCCC2)c1 260653217 RUFCNQRQKVLHFN-UHFFFAOYSA-N 263.331 4.610 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCC[C@H]1C(C)C 300515135 ALPGBPALLNJOSQ-ROUUACIJSA-N 282.516 4.575 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@@H](C)CC(C)C 306109130 UWBOAJYVCAHCSS-SMDDNHRTSA-N 265.784 4.638 30 10 CJEE CC[C@H](Nc1cccc(CC#N)c1)c1ccc(C)cc1 313432387 CZTQIZFQWYAENE-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CCCCCCCCCCC1(C=O)CCOCC1 316663829 UBBMIMLKZOBZQV-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1cc(Cl)ccc1Cl 316872817 KRMJONUHCXUCPI-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE N#CC1(Cc2coc(Br)c2)CCCCCCC1 378906904 GZHQAVVICFQJJJ-UHFFFAOYSA-N 296.208 4.839 30 10 CJEE C=CCCCCCCn1c(S)nc2cc(F)c(C)cc21 380448538 FFDPYESYZXBXHK-UHFFFAOYSA-N 292.423 4.909 30 10 CJEE C=CCN(CC=C)c1cccc(Cl)c1[C@H](C)NCCC 383599682 HYMWFMXQKXPZDN-AWEZNQCLSA-N 292.854 4.579 30 10 CJEE CO[C@](C)(C[C@]1(C#N)CCC[C@@H](C)C1)c1ccccc1 384928266 PXCWMVCJWMEDLN-NXHRZFHOSA-N 271.404 4.658 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1csc(Cl)c1 385028829 PLRXAHQENZUXGZ-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1ccc(C(C)C)cc1 387125542 GSOCNSLRXCICQU-KRWDZBQOSA-N 259.437 4.543 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)CCc1ccc(OC(F)F)cc1 393771920 UMLCKJLEEZELIL-ZFWWWQNUSA-N 297.389 4.553 30 10 CJEE CCCCCCCc1nc2ccc(N)cc2n1CCC 394311471 MLLQXUPDWQMZKY-UHFFFAOYSA-N 273.424 4.541 30 10 CJEE C=CC[C@@H](CNCCC)Cc1cccc2ccccc12 395328038 PPQOCGLNIJXFRT-MRXNPFEDSA-N 267.416 4.574 30 10 CJEE C=C[C@@H](C)Nc1ccc2ccccc2c1Br 396934302 QNHQKELLAHNQKP-SNVBAGLBSA-N 276.177 4.589 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C[C@H](C)C(C)(C)C 399418991 YVFDFPZMQSKSNS-WMZOPIPTSA-N 284.532 4.678 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC[C@H]2C[C@@H]2C1 403314948 AWIUIROWWMZIOH-HZMVEIRTSA-N 251.458 4.761 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CC[C@@H]2C[C@H]2C1 403314949 AWIUIROWWMZIOH-NCOADZHNSA-N 251.458 4.761 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)Cc1occc1C 613902271 YXZUGASSQYDLOW-UHFFFAOYSA-N 297.398 4.621 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2cccnc2)C1 651699812 IGNMBDQBGGLULO-NSISKUIASA-N 292.426 4.505 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)C[C@H](C)O[C@@H]1C 686446192 DZKUJFMARKCBIP-UXLLHSPISA-N 284.440 4.786 30 10 CJEE CC(C)C(O)(C(C)C)C1(C#N)CC(C)(C)CC(C)(C)C1 688340004 BDFXIHVRWMZYQF-UHFFFAOYSA-N 279.468 4.776 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cc(C#N)cc(F)c1C 691114116 YBYXZRKDVNGRMD-GOEBONIOSA-N 274.383 4.777 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC1C2CC3CC(C2)CC1C3 692221791 SGCFQDCLAWNAES-HWZUTKJVSA-N 273.464 4.536 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC(C)(C)CC(F)(F)F)C1 694127594 NYVHQBFWYWAYFH-DGCLKSJQSA-N 264.331 4.751 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1cc2cscc2s1 694327648 IQHVUJKKVOZUQR-ZDUSSCGKSA-N 297.404 4.761 30 10 CJEE CCCCCCCCC[C@@H](O)CCC(C)(C)CCN 696086335 XEQYCEWWKVHYRK-MRXNPFEDSA-N 271.489 4.643 30 10 CJEE C[C@@H]1CS/C(=N/CC2CC(C)(C)CC(C)(C)C2)N[C@H]1C 699565856 IBVIGGFOJYZNMA-OLZOCXBDSA-N 296.524 4.556 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccnc(OC)c1Cl 701643904 OKYSBKNOMLGDSU-CQSZACIVSA-N 299.842 4.918 30 10 CJEE C=C(Cl)C[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 710486819 PJUSGROGCUTJLE-SNVBAGLBSA-N 285.092 4.535 30 10 CJEE C[C@H](CC1CCCC1)Nc1cccc(Cl)c1C#N 712520964 HSSHATRNSZFVCH-LLVKDONJSA-N 262.784 4.592 30 10 CJEE C#CCCCCC[C@H](NCC)c1cscc1C(F)F 717218245 ULYQJGRQPNIGKI-AWEZNQCLSA-N 285.403 4.920 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1(C)CCC1 720765452 LBGVCHMVIROLCG-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCCCCCN(CCNC)C(C)C 720776330 WVADXQFRGSGQMO-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(C)(C)SC)CC1 724550064 OEMXJBPOTKZUPV-HNNXBMFYSA-N 269.498 4.633 30 10 CJEE C=C1CCC(CN[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 724553574 KSCYZOYEUNQFIS-JZXOWHBKSA-N 261.453 4.537 30 10 CJEE CC(/C=C\C(=O)c1ccc(C#N)cc1F)=C\c1ccccc1 781109137 XJRPXHVPGQGIHF-BXHQFMRESA-N 291.325 4.540 30 10 CJEE CCCCCCC[C@@H](C)NCC1CCC(C#N)CC1 799735731 IGCJPQPINBYDGZ-KLAILNCOSA-N 264.457 4.655 30 10 CJEE Cc1ccc(C=Nc2ccc(C)c(Br)c2)s1 1084101715 CKWHCBLMLQZFAJ-UHFFFAOYSA-N 294.217 4.878 30 10 CJEE C#CCCCCCC(=O)O[C@@H](CC)c1ccc(C)cc1 1127849329 ZWFXMUFWUFACRG-KRWDZBQOSA-N 272.388 4.573 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1nc(C2CCCCC2)cs1 1132442500 XELRDSMWDQYYKG-MRXNPFEDSA-N 292.448 4.732 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)c2csc3cc(C)ccc23)C1 1165742998 DMGKHWSTNQVEQL-CQSZACIVSA-N 299.439 4.638 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2ccccc2Cl)s1 1178165701 GAEZOOOWOLBDRO-NSHDSACASA-N 277.820 4.733 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(-c2cccnc2)c1 1179325354 VMRTVIZBTMSHTE-UHFFFAOYSA-N 294.442 4.831 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(C2CC2)nc(C2CC2)n1 1187014669 SJUGDVLUJIVFSQ-BBRMVZONSA-N 297.446 4.778 30 10 CJEE C#C[C@H]1CC[C@H](N[C@H](CC)CC2CCCCC2)CC1 1308925413 FRXBBDPOROWWOK-KBAYOESNSA-N 261.453 4.517 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1c(C)cccc1C 1310083506 ROLJQCIQLKCDLQ-JKSUJKDBSA-N 286.419 4.560 30 10 CJEE C=CCCCC(=O)N(CC(C)C)[C@H](CC)c1ccccc1 1359880663 OWPILRSKQBFDSP-GOSISDBHSA-N 287.447 4.979 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 1434942703 ZNFLIRWJRMRSFL-SFHVURJKSA-N 289.394 4.530 30 10 CJEE C=CCC1(C(=O)OCc2ccc(C)cc2C)CCCCC1 1435936084 IHSJMCHRXMZVKY-UHFFFAOYSA-N 286.415 4.873 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC2(CCCC2)O1 1460055812 OPJSUHBXWMONRG-IBGZPJMESA-N 299.458 4.557 30 10 CJEE C=C1CCC(CNC[C@@H](CCC)c2ccccc2)CC1 1461739325 JNUDDUVDOVRNGN-LJQANCHMSA-N 271.448 4.906 30 10 CJEE C#Cc1ccc(CN2CCCC3(CCCCC3)CC2)cc1 1462091801 IDUGSVYZZBSGSO-UHFFFAOYSA-N 281.443 4.604 30 10 CJEE C=CCC[C@@H](CC)Nc1cccc(C(C)(F)F)c1 1462100562 AXXCUKHKDNAQMX-CYBMUJFWSA-N 253.336 4.955 30 10 CJEE C#CC[C@H]1CCCN(Cc2c(C)ccc3cc(C)ccc23)C1 1473581068 HACSQBCRMRVRRQ-SFHVURJKSA-N 291.438 4.692 30 10 CJEE C=CCN(Cc1ccccc1)C[C@@H]1C(C)=CCC[C@H]1C 1474334747 ZBGJXDVZIROYKN-IEBWSBKVSA-N 269.432 4.667 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(CCC(C)C)cc1 1476070956 RATHIEDFSDFTSW-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=CCC[C@@H](C(=O)NC1CCCCCCC1)c1ccccc1 1524418712 QLZCSIDFABRPAI-LJQANCHMSA-N 299.458 4.966 30 10 CJEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1524721129 UISICZOLTRMLRS-UONOGXRCSA-N 293.476 4.581 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H](C)CC(C)(C)C)c1ccccc1 1527742062 POKUKFZBIZGLFG-DOTOQJQBSA-N 287.447 4.677 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1sccc1C(=O)C(C)(C)C 1530547662 LHMZEHMIWQHACT-NSHDSACASA-N 293.432 4.518 30 10 CJEE N#CCC1(CN(Cc2ccccc2)C2CCCCC2)CC1 1559494327 CJAFWLOBKBLADE-UHFFFAOYSA-N 282.431 4.515 30 10 CJEE C=C(C)CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1 1559807982 XLGQFLNBBJTHCL-OAHLLOKOSA-N 298.257 4.649 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CS[C@@H](C(C)(C)C)C1 1560927502 RZVQQDWMSABDBY-FXUDXRNXSA-N 281.509 4.631 30 10 CJEE C=CCn1ncc2ccc(NC[C@H]3CCC[C@H](CC)C3)cc21 1561028315 FVOBZENUZJKXOY-HOTGVXAUSA-N 297.446 4.851 30 10 CJEE C=C(C)c1cccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 1563363894 HPULJPRFIRAWHD-JCGIZDLHSA-N 298.430 4.762 30 10 CJEE Cc1cccc(C#Cc2ccccc2C(F)(F)F)c1C 1614825328 WKQDTLKEMMEIBW-UHFFFAOYSA-N 274.285 4.722 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 1617693676 DTLSMAHRWCMQAO-QRVBRYPASA-N 269.432 4.501 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CCc1ccccc1 1621004129 KAZPUYCIZGPDTL-SXLOBPIMSA-N 285.475 4.980 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](CC)C1)c1ccc(Cl)cc1 1621368409 JKMKJDYLGQUSAY-XYPHTWIQSA-N 275.823 4.573 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C 1621388132 YMJBTHOTMFTSBQ-HRCADAONSA-N 281.484 4.693 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)Cc1cccc(C)c1 1627249618 PVRVXWIDUUIAGY-OALUTQOASA-N 299.458 4.521 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@@H](C/C=C/C)C1)c1ccccc1 1631189977 YAFYVDKBSCRORJ-GVKBTVHKSA-N 297.442 4.551 30 10 CJEE C=C(CC)CN1CCC[C@@H]1[C@H](CC)c1ccccc1 1641879427 IKVGGMXYRLEQRY-QZTJIDSGSA-N 257.421 4.611 30 10 CJEE C=CCN(Cc1ccc(Br)c(C)c1)C(C)(C)C 1643857064 FQVUJJVWFATTSD-UHFFFAOYSA-N 296.252 4.544 30 10 CJEE Cc1cc(Cl)cc(C#N)c1OCC1CCC(F)(F)CC1 1644017515 BKHIKSBDYMEAEM-UHFFFAOYSA-N 299.748 4.724 30 10 CJEE C=C(CC)CN[C@H](C)c1ccccc1OCc1ccccc1 1645030410 FYCISOIICJTOAQ-QGZVFWFLSA-N 295.426 4.882 30 10 CJEE C=CCC[C@@H](CC)NCc1cc(C)ccc1Br 1652681924 XRYFIOBJRLZTRF-CQSZACIVSA-N 296.252 4.592 30 10 CJEE CO[C@H](CSc1cccc(Cl)c1C#N)C1CCCC1 1652747838 UECIFECZMKVDCM-CQSZACIVSA-N 295.835 4.509 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(CC)cc2)CCCC1(C)C 1654317532 FCSXBBSSQKSASL-IBGZPJMESA-N 285.475 4.858 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(OC)ccc1Cl 1655044678 KFIBLQBVIUHUTM-SUMWQHHRSA-N 293.838 4.573 30 10 CJEE N#C[C@@H](c1ccccc1)N1CCC[C@@H](C2CCCCC2)C1 1655167477 GIBYIBJADFJNHH-MOPGFXCFSA-N 282.431 4.544 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)CCC(C)C)cc1Cl 1655179855 CBEQTBUQYKLADK-AWEZNQCLSA-N 295.854 4.819 30 10 CJEE C=CC(C)(C)CCNCc1ccc(-c2ccc(C)cc2)o1 1657727340 SCWMSFLHZKCPLB-UHFFFAOYSA-N 283.415 4.947 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 1658302031 WKPCTSLSHVEBGD-AAEUAGOBSA-N 284.230 4.828 30 10 CJEE C=CCCCN(CC)Cc1cccc(SCC)c1 1659043831 IXFSNMFRXUTJIF-UHFFFAOYSA-N 263.450 4.587 30 10 CJEE C=CC[C@H]1CCCN(C/C(C)=C/c2ccccc2COC)C1 1660234784 SCPHHKWEVNSMKC-KJCUYJGMSA-N 299.458 4.524 30 10 CJEE CCCCCCCCC(=O)Nc1ccnn1[C@@H](C)CC 1873452000 WVKJUYABVMHKMB-AWEZNQCLSA-N 279.428 4.543 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588402 KMLKCAGYROFKCL-VAWYXSNFSA-N 292.378 4.764 30 10 CJEE C=CCC[C@@H](NCCC)C1CC(c2ccccc2)C1 1875762969 GRYGGYBSCZOEBD-DAWZGUTISA-N 257.421 4.515 30 10 CJEE CCCCC[C@](O)(CC)[C@@]1(C#N)CCC[C@H](CC)C1 1879220351 CLNKHKZLLJQYIN-YESZJQIVSA-N 265.441 4.818 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@@H]1C(C)(C)C 1883909483 CYOPEFFKVDJTNL-ROUUACIJSA-N 271.448 4.747 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H](C)C(C)(C)C)NCC 1888673956 HUECFVPGPNXVJJ-YOEHRIQHSA-N 259.437 4.750 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](C)C1CCC1 1888688945 LQHZOLKMJNQHJX-YJBOKZPZSA-N 257.421 4.504 30 10 CJEE CC(C)=C(C)C(=O)c1cc(Br)c(Cl)s1 1889375504 GRPCGKMVOXIXQV-UHFFFAOYSA-N 293.613 4.703 30 10 CJEE C=C(C)[C@H](NCC)c1ccc(Cl)c(Cl)c1C 1901165348 RNMYPBWVHZUPLC-ZDUSSCGKSA-N 258.192 4.529 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSCCC1CCC1 1904958321 LNHIYTNHHDDYOQ-AWEZNQCLSA-N 260.512 4.892 30 10 CJEE C[C@]1(C(F)(F)F)C[C@@H]1[C@@]1(C=O)CCCCC12CCC2 1909516720 OXUPMBLWZNFYAR-OBJOEFQTSA-N 274.326 4.505 30 10 CJEE CCCCCCC[C@@H](CCC=Cc1ccccc1)NN 1911849778 OKJANSNJPLKSPW-SFHVURJKSA-N 274.452 4.672 30 10 CJEE O=C(C=Cc1cccs1)c1ccc2c(c1)CCCC2 1912212745 KUFXCYXSBGMSCT-UHFFFAOYSA-N 268.381 4.523 30 10 CJEE O[C@@H]1CCCCCCCC[C@@H]1CC#Cc1ccccc1 1913413749 PARPURZSBAGNPL-RTBURBONSA-N 270.416 4.540 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1917560066 NUCHIKVSHOCFTO-RSQDCSKSSA-N 275.480 4.783 30 10 CJEE CCCCCCCCC[C@@H]1CCC[C@]12CCNC2 1918324773 UBPRLBKFIJTSEY-IAGOWNOFSA-N 251.458 4.907 30 10 CJEE CCCCCCC[C@@](C)(N)c1cc(F)cc(F)c1F 1919522196 HEMDXCDXRGYVRS-OAHLLOKOSA-N 273.342 4.638 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)C[C@@H]1CCC[C@H](C)C1 1920390094 XZVNUHZRXSZALB-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE 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CC(C)(CC[C@@](C)(C=O)c1ccccc1)C(F)(F)F 2094005876 HOXLKZVBOSTXFE-AWEZNQCLSA-N 272.310 4.512 30 10 CJEE C=C[C@@](N)(c1ccc2ccccc2c1C)C(C)(C)C 2098402486 NNUDWMAPPLRNJG-GOSISDBHSA-N 253.389 4.534 30 10 CJEE C=C1C[C@@H]1CC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2102542687 ZOEKRUIOYLKJOE-HARIEKMUSA-N 258.405 4.518 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CO[C@@H](C)C1 2103109679 UPXRSMFUQFIGEL-BBWFWOEESA-N 269.473 4.660 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC=CCC2)CC1 2103818503 SWOZBORWGYDWKW-MSOLQXFVSA-N 261.453 4.847 30 10 CJEE CCCC[C@](C=O)(CC)Cc1nc2ccccc2s1 2108201690 RNNAIUZGJBZNCA-MRXNPFEDSA-N 275.417 4.624 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@H]1CCCC2(CCC2)O1 2108208465 MGGOHZQKKNVXKF-CVEARBPZSA-N 263.425 4.978 30 10 CJEE C#CC(C)(C)CC(=O)c1ccc(SC(F)(F)F)cc1 2111285312 AYVVJGVWXADWKU-UHFFFAOYSA-N 286.318 4.531 30 10 CJEE CC(C)(C#N)CCCCNC1CCCCCCCC1 2112407912 WATGJBJJQKKUOP-UHFFFAOYSA-N 264.457 4.799 30 10 CJEE SC[C@@H](CSc1ccc2ccccc2n1)CC1CC1 2112860729 FSWFIJYHKZCECA-ZDUSSCGKSA-N 289.469 4.673 30 10 CJEE C#CC(C)(C)CC[C@@H](NCCC)c1ccccc1Cl 2113421260 YQVANFRXTHXLJU-MRXNPFEDSA-N 277.839 4.820 30 10 CJEE C=CCCC[C@@H](O)CC1(c2ccccc2)CCCC1 2116485443 CDWJRBKWZBFQLP-QGZVFWFLSA-N 258.405 4.606 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(C2CC2)c1 2116656836 XWBJWHMCAXCJNT-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1ccc(CC2CC2)cc1 2116658336 NLAZXINIZKCLRE-KBXCAEBGSA-N 257.421 4.502 30 10 CJEE C=CC1(C[C@H](NC)[C@H]2CCCCC23CCC3)CCC1 2117051516 BURQKFASLVADPF-CVEARBPZSA-N 261.453 4.681 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)CCc2ccco2)CC1 2125191700 GXLVEPVLAGKMEN-AWEZNQCLSA-N 260.377 4.554 30 10 CJEE C=C1CC(C[C@]2(CNC(C)(C)C)CCCC2(C)C)C1 2125743588 YBXAQDSXQSTQQW-SFHVURJKSA-N 263.469 4.927 30 10 CJEE CC[C@](O)(CCC(C)C)C1(C#N)CCCCCCC1 2129466889 ZAKHFUSSDLQYQC-KRWDZBQOSA-N 265.441 4.818 30 10 CJEE CCCCCCC[C@@H](CC[C@@H](C)COC)NCCC 2130969478 VHXDZFWRFAUKSQ-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCC[C@H](NN)C1(CC(C)C)CC1 2133355717 RYYQHUPRUPWJOP-INIZCTEOSA-N 268.489 4.785 30 10 CJEE CC(F)(F)C1(C[C@@](C)(C#N)c2ccccc2)CCC1 2134717228 BGJSKAMPPZEPNS-AWEZNQCLSA-N 263.331 4.683 30 10 CJEE COc1c(Cl)ccc(C(=O)C=C2CCCCC2)c1F 2138603409 ZCOGVXRXDXTREE-UHFFFAOYSA-N 282.742 4.561 30 10 CJEE CCCC#CC[C@H](CC12CCC(CC1)C2)NCCC 2138963758 ORPLUAJZZNDZSZ-LXPRWKDFSA-N 261.453 4.519 30 10 CJEE CCCC#CC[C@]1(CNC(C)(C)C)CCCC1(C)C 2138988207 UJJYMMVFSIZJEJ-GOSISDBHSA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@@](N)(CC)c1ccccc1F 2141907875 IYKNKKVTPJEOLY-KRWDZBQOSA-N 263.400 4.916 30 10 CJEE C=CCCCCCC[C@H](NC)[C@]12CCC[C@@H]1CSC2 2141920364 DTWMINHGXBRCQN-IKGGRYGDSA-N 281.509 4.634 30 10 CJEE C=CCCCCCCCCN(C)c1ccc(N)cc1 2142428026 OIVQXWYHOVUXBO-UHFFFAOYSA-N 260.425 4.622 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 2142433758 GRTVFFIUXXPXPX-ARFHVFGLSA-N 266.425 4.676 30 10 CJEE C=CCCCCCCCC=C1CCC[C@@H]2CNC[C@@H]12 2142450328 KAQRQDYDDTYCKM-MSOLQXFVSA-N 261.453 4.849 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCO[C@@H]1C 2142452583 JCPBNRPEQQERDU-CVEARBPZSA-N 266.425 4.677 30 10 CJEE CC1(CCCNc2ccc(C(F)(F)F)cc2C#N)CC1 2144441261 TVEZFRKXNFNFFY-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE O=CC1(CC2(c3ccccc3)CCCC2)CCSCC1 2145949603 VSOIOUIHLDJNER-UHFFFAOYSA-N 288.456 4.601 30 10 CJEE CCCCCCCC[C@H](N)[C@]1(O)CC(C)(C)CC[C@@H]1C 2148579802 UBACHSCVHVILGF-BQFCYCMXSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](O)c1ccc(C)c(Cl)c1 2148580976 BMQHBFSWCMWUSW-IAGOWNOFSA-N 297.870 4.630 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)[C@@H]1CCCC[C@@H]1CC 2148589955 STCAGNFLSYGWRW-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)C1(C)CCCCC1 2148600557 LDADSIBFKTWWIA-IRXDYDNUSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@]1(O)C=CCCC1 2148618765 MLEDMRLUTRLYHC-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCCCCCCCC[C@@H](N)[C@](C)(O)Cc1ccsc1 2148625882 QAMOJHDFESRNHT-IAGOWNOFSA-N 297.508 4.510 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](O)c1ccsc1C 2148626049 RAXVICRGEXPKBB-IRXDYDNUSA-N 297.508 4.819 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H](OC)C2CCCCC2)C1 2150295444 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CC[C@H]1CCC[C@@](C#N)(Cc2cc3ncccc3s2)C1 2165020612 JRBQBHLFJQWEGD-GUYCJALGSA-N 284.428 4.949 30 10 CJEE C=CC1(C[C@@H](C[C@@H](C)c2ccccc2)NCC)CCC1 2168023661 NQJCLAXTBGGWCP-SJLPKXTDSA-N 271.448 4.905 30 10 CJEE CCC1CCC([C@@H](C)Nc2ccc(C#N)cc2F)CC1 2168395364 MBSGWSRPXDIPFQ-DNOWBOINSA-N 274.383 4.714 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cnc(CC)s2)CC1 2170778291 VQNSMKZYPRBNOG-HNNXBMFYSA-N 292.492 4.883 30 10 CJEE CCCc1ncc(CC2(C#N)CCC(C(C)C)CC2)s1 2172961420 XCLCZUKGLLRZBY-UHFFFAOYSA-N 290.476 4.994 30 10 CJEE N#C[C@@]1(CCOC2CCSCC2)CCCCC12CCC2 2173611663 JFQIFDOFWWABQE-KRWDZBQOSA-N 293.476 4.543 30 10 CJEE N#C[C@]1(CC2(c3ccccc3)CC2)CCCCC12CC2 2173629677 POHJUKLTGVUCGR-LJQANCHMSA-N 265.400 4.972 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1C[C@H]2CCCC[C@H]2O1 2173631636 ABCUSNQAKSKVHZ-KYHPRHEASA-N 275.436 4.834 30 10 CJEE N#C[C@@]1(CC2CC(C3CCC3)C2)CCc2ccccc21 2176877455 BTGXNVMZUJZISG-YVNUBYTISA-N 265.400 4.611 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1ccccc1-c1ccccc1 2179257388 SKLBOUWQMWHATA-KXBFYZLASA-N 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30 10 CJEE C=C1C[C@@H]1[C@H](C[C@]1(C)CCCCC1(F)F)NCCC 2341881046 SJBLBAMNKFWKOD-KKUMJFAQSA-N 271.395 4.536 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@H]2CC[C@@H]2C(C)(C)C)C1 2343370527 CXKOCOPLBBCVEI-AIANPOQGSA-N 263.425 4.548 30 10 CJEE C=C[C@@H](C)C[C@@H](Cc1cccc(C(C)C)c1)NCC 2343744699 CVLGSHRIFUJVST-QAPCUYQASA-N 259.437 4.543 30 10 CJEE C=C([C@H](NC)c1cccc(C2CCC2)c1)C(C)(C)C 2343774830 BNSUQHORVRKXEH-KRWDZBQOSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1CCC[C@H]1C(F)(F)F 2344343582 DZLDHJNAYLRIFF-DGAVXFQQSA-N 277.374 4.675 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@]1(C)CCCCC1(F)F)NCC 2344347605 CQIGIHPQOLEUTM-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@@H]1C(F)(F)F)NC 2344356182 LGOQLDUCSNLSOD-RFGFWPKPSA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cccc(Cl)c1C)NCC 2344373366 ZQMORNCIJDVZLS-MRXNPFEDSA-N 279.855 4.771 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCCCC[C@@H]1C 2352000976 JQQZUGKTNMJJSI-XJKSGUPXSA-N 282.449 4.664 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCCC2(CC2)C1 2352166281 OBZYGFQQKFGGGQ-GDBMZVCRSA-N 283.525 4.623 30 10 CJEE CCCCCCCCCOCC(=O)[C@@]12CCC[C@H]1C2 2353387449 IKKUNONFVOEPEV-DOTOQJQBSA-N 266.425 4.513 30 10 CJEE CCCC[C@@](C)(C#N)[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2357822614 QCLMJJKXUKSCHB-MHORFTMASA-N 277.452 4.674 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC2CCC2)cc1 2360375644 POIRQJWHZYCLHA-UHFFFAOYSA-N 287.472 4.942 30 10 CJEE CC1(C)CC[C@H](Nc2ccccc2C#N)c2ccccc21 20525603 BZGOACVTQUMGRB-SFHVURJKSA-N 276.383 4.783 30 10 CJEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1ccccc1 37089342 ZRJVMXOCKYPNMI-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Sc1ccccc1Cl 37154774 SRJVDNGXSLHGAP-JQWIXIFHSA-N 251.782 4.514 30 10 CJEE N#C[C@@H]1CCC[C@@H]1Nc1ccc(Oc2ccccc2)cc1 54823242 LZHDLVAIGOTAAA-KSSFIOAISA-N 278.355 4.583 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Cc2ccc(F)cc2)c(C)c1 57735238 AWFJBLPLBQVQPU-MRXNPFEDSA-N 267.347 4.601 30 10 CJEE CCCCCC[C@@H](C)Nc1nc2ccccc2cc1C#N 71385860 FUCFHOSOFCAGSM-CQSZACIVSA-N 281.403 4.877 30 10 CJEE Cc1c(Cl)ccc2c(C#N)c(Cl)n(CC(C)C)c12 71466152 DBCZNDIKKOHJSI-UHFFFAOYSA-N 281.186 4.784 30 10 CJEE CCN[C@@H](C)c1ccc(SCc2cccc(C#N)c2)cc1 79581407 XBCRVVZFQAYVEZ-AWEZNQCLSA-N 296.439 4.521 30 10 CJEE CCC(CC)n1ccc(CC2(C#N)CCCCCC2)n1 87945760 JVQGSNRYUCCICL-UHFFFAOYSA-N 273.424 4.651 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cccc(C2CC2)c1 94521348 CJXBUVUMFQCILK-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@H](C)[C@@H]1C 94577387 IJGYHBVXXOUBDT-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCC#CC[C@H](C)c1cc(C)c(C)cc1Br 107479856 LUWKRUSGONTFPS-NSHDSACASA-N 279.221 4.973 30 10 CJEE C[C@@H](CCS)c1cc2c(cc1Cl)CCCC2 107568421 CSNIQQCBQYDXCI-JTQLQIEISA-N 254.826 4.642 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1ccccn1 107680603 JVJLTKLLZOKAPO-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cccnc1 109722097 FXIQAQVMESEBKX-QGZVFWFLSA-N 262.441 4.873 30 10 CJEE CCCCCCC[C@H](CN)N(CCCCC)C(C)C 110021560 QFIDDVXVFNKFMF-QGZVFWFLSA-N 270.505 4.575 30 10 CJEE CCCCCCCCCCCCN1CCC(CO)CC1 110049384 VXDOTUUXMGMBBK-UHFFFAOYSA-N 283.500 4.612 30 10 CJEE CCCCCCCC[C@@H](CNC)Cc1ccc(OC)cc1 110188616 WBZQJEGCRPBEMY-GOSISDBHSA-N 291.479 4.824 30 10 CJEE CCCCCCCC[C@]1(CNC)C[C@H]2CC[C@@H]1C2 110195023 DZMODFNRPSAAIG-GVDBMIGSSA-N 251.458 4.763 30 10 CJEE Cc1cc(C)cc(Nc2ccc(C#N)c(Cl)c2)c1 110253060 AVDGTZGNLIHSGH-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCC[C@@]1(C(=O)O)CCCc2ccccc21 110518098 WPQDDBFCXXHUSK-GOSISDBHSA-N 274.404 4.706 30 10 CJEE CCCCCCC[C@](C)(CN)Nc1ccccc1Cl 115028752 ZHKJVNDPAWZSCN-MRXNPFEDSA-N 282.859 4.830 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)N(C)C 116503516 BNVFZYNKUDAWST-SJORKVTESA-N 271.489 4.608 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](C)c1ccncc1 117683275 SPEZNVMSDXYIJY-NVXWUHKLSA-N 262.441 4.653 30 10 CJEE CC(C)C1CCC(Nc2cc(C#N)ccc2Cl)CC1 125702261 WUWGTWDZMNTWAT-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(Cl)s1 125864399 QSGSTRJYRWRAJP-LLVKDONJSA-N 259.846 4.632 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1ccc(N)c(CC#N)c1 127613406 FWWGIVUIEIJYRW-UHFFFAOYSA-N 280.371 4.559 30 10 CJEE CCCOc1cccc2c1ccn2CCCC(C)(C)C#N 128818199 UJYFZZHLLILDKQ-UHFFFAOYSA-N 284.403 4.760 30 10 CJEE CCCCCCC[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] 132457721 WBJJNCJIGJBBIP-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE CCCCCCCCc1ccc2nc(N)sc2c1 137453722 ZNTPEAWELAQWQO-UHFFFAOYSA-N 262.422 4.782 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)c(C)s1 158091999 KWZCWAMJFIJKHE-AWEZNQCLSA-N 253.455 4.986 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C 164932601 SQIXPWLGKXPHQO-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@H]1CCC[C@H]1CNC1CC1 166853127 OQFOJPAUUAMDFB-CVEARBPZSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@@](C)(O)c1c(F)cccc1OC 167629208 VJBINXGOSWKZHF-QGZVFWFLSA-N 282.399 4.792 30 10 CJEE CC(C)(C#N)CCCNc1cccc(C(C)(F)F)c1 187571892 OSVDGJAFRQYJNI-UHFFFAOYSA-N 266.335 4.540 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCCOC1 203398949 VEOHSEOLDCDWIK-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC1CC1 212267992 NYJFOFHFYFBWHS-GVDBMIGSSA-N 263.469 4.783 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC(C)C 212284693 GIQSKTZRGIEJFJ-ULQDDVLXSA-N 265.485 4.887 30 10 CJEE CCCCCCCC[C@H](NCC)c1cncc(OCC)c1 229113812 GQSPZGCAYPYYOB-SFHVURJKSA-N 292.467 4.882 30 10 CJEE CC(C)CCSc1ccc(C(F)(F)F)c(C#N)c1 232675169 BXKMRDSJELHQOC-UHFFFAOYSA-N 273.323 4.715 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Cl)c(OC)c(OC)c1 234803012 SEAXQZGESJBBAR-CQSZACIVSA-N 298.810 4.527 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1cc(Cl)ccc1Cl 236158422 FLPZDSJTSDUCED-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NC[C@H]1CC(C)C 250815904 JFHURLZHUMHAGF-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@H]1CC 250821477 LHYOHIXWHSFQRG-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN1C[C@@H]2CCCCN2C[C@H]1C 250842568 YOEPYIUXEDAYLQ-MOPGFXCFSA-N 294.527 4.686 30 10 CJEE CC[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1Cl 251242543 LZFLFBPLCUFBCT-NZVBXONLSA-N 297.229 4.726 30 10 CJEE CCN(CC)c1ccc(C=Nc2ccc(C)c(C)c2)c(O)c1 254485518 BJXPHMSHHRTJCS-UHFFFAOYSA-N 296.414 4.606 30 10 CJEE CC[C@@H](C)c1ccccc1N=Cc1ccc2c(c1)OCO2 254845452 CYWABWHJPGYLKN-CYBMUJFWSA-N 281.355 4.679 30 10 CJEE C=C1C[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]2CC[C@H]1C3 257548524 TUJQVRFWMWRMIO-JBKQDOAHSA-N 288.475 4.948 30 10 CJEE endogenous,in-man CCN[C@@H](CC#CC(C)(C)C)c1scc(C)c1Cl 305898843 XUESIJGRDPKOOX-LBPRGKRZSA-N 283.868 4.800 30 10 CJEE C=C(CC)CN[C@@H](c1ccco1)c1ccc(Cl)s1 313497653 FIQNFZRJNMLONA-AWEZNQCLSA-N 281.808 4.640 30 10 CJEE Cc1ccc(C[C@]2(C#N)CC[C@H](C)C2)cc1Br 314521411 GMYLPKXELDCKCW-NHYWBVRUSA-N 292.220 4.630 30 10 CJEE O=C[C@@]1(Cc2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1C2 316466765 QGCOJNGVDXGHDN-WBIUFABUSA-N 283.198 4.541 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1ccc(OC(F)F)cc1 320051182 PYIQTHHZFRDFOR-MJVIPROJSA-N 267.319 4.577 30 10 CJEE CCCCCCCC(=O)Cc1coc(Br)c1 378898835 DEHUHJQQLVKNFE-UHFFFAOYSA-N 287.197 4.514 30 10 CJEE C=C(C)CCN[C@@H](C)c1cc(Cl)sc1Cl 386721659 SECNWWIZLOERDB-QMMMGPOBSA-N 264.221 4.672 30 10 CJEE C=C([C@H](NCCC)c1ccc(C)c(Cl)c1)C(F)(F)F 388533910 OWVIEIZZYNIGFE-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CCCCCCCCN[C@@H](C)CCOCc1ccccc1 389909512 IWQREBMLXYSMFH-SFHVURJKSA-N 291.479 4.932 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)Nc1ccc(C)cc1 401517562 ZWWHRSWUWDMCQJ-PVAVHDDUSA-N 256.393 4.516 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1SC 464647179 JREGCKWAPDEJDR-SNVBAGLBSA-N 283.824 4.603 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C1CCC1 505016829 MOOKJPLOWMEAQV-GOSISDBHSA-N 298.430 4.602 30 10 CJEE N#CCc1ccc(-c2c(Cl)cccc2Cl)c(Cl)n1 514263272 ZBTZCVORXQUADP-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CC[C@H](CC)C1 686681467 QOYFFKIQVXUHFO-KSZLIROESA-N 263.469 4.765 30 10 CJEE CO[C@@H]1CCC[C@@H](C2(C=O)CC(C)(C)CC(C)(C)C2)C1 688279033 DUFDAHMQZJWKDF-HUUCEWRRSA-N 280.452 4.613 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C)CC1CCCCC1 694647319 FEOIVWVXSVUBPL-CQSZACIVSA-N 256.393 4.638 30 10 CJEE CCC(C)(C)CCOc1ccc(Br)cc1C#N 696735005 MOFLDOSKYLNMQQ-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCCOC2CCCC2)C1 699954486 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CCCCCC#CCC1(O)CC2(CCC(C)CC2)C1 2138912406 OBSHHTCYUIJFGT-UHFFFAOYSA-N 262.437 4.682 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1C(C)=CCC[C@@H]1C 2138980807 HBSGIUHIAWGDPA-BZSNNMDCSA-N 261.453 4.541 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cccc(F)c1Cl 2138988496 WJYYJMXIRLSCND-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE CCCCCC#CC[C@H](CCC1CCCC1)NCC 2139000384 GZJVUHRLJOJWAU-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H](CCC)OC 2141907802 IKIYEQCTTXTGBY-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCCC[C@](C)(O)[C@@H]1CCCO1 2142433902 HHKUFIPPFHEDDS-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1cccnc1 2142441569 YUUGVKSBUIBMPO-KRWDZBQOSA-N 260.425 4.649 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CCCCO1 2142450272 JSNRNXNSOLZEJM-IAGOWNOFSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCCCO[C@@H](C)C[C@@H](C)CN 2142452682 KBVUUSQXBWEQIH-SJORKVTESA-N 269.473 4.683 30 10 CJEE C=CCCCCCCCCCC(=O)COCC(C)C 2142454184 YNVDGJJFESUJRM-UHFFFAOYSA-N 268.441 4.925 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(C#N)CCC[C@@H](C)C1 2142462001 PMRMZDFBOHHPOZ-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE CCCCCCCOc1cccc(F)c1CNCCC 2143430952 GDFUFPQGUUZBRW-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCCCCCCCN[C@H](C)c1cnn(C2CCC2)c1 2143578505 CFNLNRNMNYXZBQ-OAHLLOKOSA-N 277.456 4.619 30 10 CJEE CC1(C)C[C@H]1CCC[C@]1(C#N)CCc2ccccc2C1 2144450476 XWDHRMQWBAVEBG-MJGOQNOKSA-N 267.416 4.902 30 10 CJEE Cc1cc(Cn2ccc3ccc(C#N)cc32)ccc1Cl 2145585680 FEIBBZDDCSUCBB-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CCCCCCCC(=O)[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C 2147036382 FUMSIPFBBZHSEB-JZXOWHBKSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC(=O)[C@@]1(O)CCC(C)(C)C[C@@H]1C 2147248920 MIBNXSYQGRHZPG-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCCN1CC[C@](C#N)(C2CC2)C1 2149601710 NILPULZMODWNDX-GOSISDBHSA-N 276.468 4.753 30 10 CJEE C=C1CCC(C[C@H](CCOCCCC)NCCC)CC1 2151117157 HIAJSNFLTZYQNE-SFHVURJKSA-N 281.484 4.698 30 10 CJEE N#CC1([C@@]2(O)CCCc3ccsc32)CCCCCCC1 2151732727 LBXBQOHBNILCMF-QGZVFWFLSA-N 289.444 4.526 30 10 CJEE CCCCCCC[C@@H](NCCC)C1CC2(CCOC2)C1 2151998751 KLPOTMWFRIRBFW-LXPRWKDFSA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NCCC)C1CC(C)(C)C1 2153873680 KACSARAHNQFXMY-IRXDYDNUSA-N 283.500 4.512 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C)N=C1NC2(CCC(C)CC2)CS1 2153925312 VETFYNSSGDHFKP-GYMHETDLSA-N 296.524 4.698 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](N)C12CCC(C)(C)CC2 2157079746 RLDOTEHNOMLBIJ-HZPDHXFCSA-N 281.484 4.660 30 10 CJEE C[C@@H](N=C1N[C@@H](C2CCCC2)CS1)C1(C)CCCCC1 2157541746 QLLSTDJYFGOWJH-UKRRQHHQSA-N 294.508 4.597 30 10 CJEE CC[C@@](O)(C1CCCCC1)[C@@]1(C#N)CCCC12CCC2 2158445904 UNPKKJKKTZOXOQ-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1cc(C)cs1 2158609835 XHBFGZGEZHSFRV-NVXWUHKLSA-N 297.508 4.819 30 10 CJEE C=C1CC(CNC2CC2)(C[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)C1 2159590415 DDVANSFEIFPQGJ-ZOBUZTSGSA-N 273.464 4.537 30 10 CJEE CN(CC1CC(C(C)(C)C)C1)c1cccc(Cl)c1C#N 2161242909 QSCMMBAFEQLOGD-UHFFFAOYSA-N 290.838 4.720 30 10 CJEE CCCCCCCCCN[C@H]1CCC(F)(F)C[C@H]1OC 2162085819 LLTNBHOCCWBOHO-LSDHHAIUSA-N 291.426 4.529 30 10 CJEE C=CCCOCC[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 2163905307 UKBAEZBLNCSAID-WMZOPIPTSA-N 281.484 4.554 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(C(C)C)[nH]n1 2164135214 MJKQDRSAWXJPMK-OAHLLOKOSA-N 279.472 4.934 30 10 CJEE CCCN[C@H](CC(C)(C)C(C)C)c1cccc(C#N)c1 2164196109 LNRXGKKGFWJGOQ-QGZVFWFLSA-N 272.436 4.671 30 10 CJEE CCCC[C@](C#N)(CC)Cc1cn2cc(Cl)ccc2n1 2164482282 OJPGOPLDIMSRHF-MRXNPFEDSA-N 289.810 4.640 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CC23CCC(F)(F)CC3)C1 2165687314 HPDWODBLBGVLSY-QLFBSQMISA-N 284.390 4.988 30 10 CJEE N#C[C@H](C(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21)c1ccsc1 2166153775 BOLIETMJXNGUPT-MIGQKNRLSA-N 287.428 4.531 30 10 CJEE N#Cc1ccc(N[C@@H]2C[C@@H]3CCCCCC[C@H]32)cc1Cl 2166172800 YTRCMRQMLYXNAL-XGWLTEMNSA-N 288.822 4.982 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1cccc2ccsc12 2167611562 ZYOZTKYBWYDPJM-MRXNPFEDSA-N 285.456 4.992 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(CC(C)C)cc2)CCC1 2168031678 SBTXUNBRMNIACM-GOSISDBHSA-N 271.448 4.892 30 10 CJEE CC1CCC([C@H](C)N(C)[C@H]2CCCCC[C@@H]2C#N)CC1 2168491798 JXPWSAWCSSVANK-WCUWXVSDSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@@](C)(N)c1ncccc1C(C)(F)F 2168670844 CZWDAEGHNFLMCT-OAHLLOKOSA-N 284.394 4.728 30 10 CJEE CC(C)c1cccc(N=C2N[C@@H](CC(C)(F)F)CS2)c1 2169537986 OLFRLFOXIFVMST-ZDUSSCGKSA-N 298.402 4.548 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2csc(C3CCCCC3)n2)C1 2169858066 XJOBBEMTVOZGCX-CXAGYDPISA-N 291.460 4.739 30 10 CJEE CCC1(C)CCC(N(C)C[C@H](C#N)C2CCCC2)CC1 2171495713 KDGWOFZYGKCDKY-AOCRQIFASA-N 276.468 4.607 30 10 CJEE CCCCCCCN1CCCCC[C@H]1c1ccncc1 2172394147 WXXRJOQTAHCZGV-SFHVURJKSA-N 274.452 4.969 30 10 CJEE C#CCCCCCN(C)CC1(C(F)(F)F)CCCCC1 2173236528 XDUZSPLUGNUXCN-UHFFFAOYSA-N 289.385 4.625 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1ccc2ccccc2c1)NCC 2173289176 CCWXLSBHFIXVQP-KXBFYZLASA-N 267.416 4.573 30 10 CJEE CCC#CC[C@@]1(CNC(C)(C)C)CCCCC12CCC2 2174097049 CBNDLVJVVDMZJY-IBGZPJMESA-N 275.480 4.909 30 10 CJEE Cc1cccc(C#N)c1NC1CC[Si]2(CCCC2)CC1 2175912033 MIGJUGQIFGYZAW-UHFFFAOYSA-N 284.479 4.684 30 10 CJEE CC(C)c1ccncc1Nc1cc(Cl)c(C#N)cc1F 2177388291 LXZOZZBBYJXBLJ-UHFFFAOYSA-N 289.741 4.613 30 10 CJEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)[C@]12CCCC[C@@H]1C2 2177392772 IPLNRUPQBLTNPW-KANYHAFZSA-N 292.785 4.731 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(F)c2c1CCC2 2178070310 VCESSPOKTSTRMJ-GOSISDBHSA-N 277.427 4.849 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H]1C[C@@H]2CC[C@H](C1)O2 2181296109 LCWWXDNAUQQGGX-XLAORIBOSA-N 282.468 4.836 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cccc3c2CCCC3)CC1 2181637698 GWWPSSIZBLATHW-AWEZNQCLSA-N 268.400 4.885 30 10 CJEE C=C1CC(C[C@@H]2C[C@H](CCC)CC[C@@H]2CNC2CC2)C1 2182128372 KHWQPRYOMOBGME-NXHRZFHOSA-N 275.480 4.927 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](S[C@H](C)C(C)C)CC(C)(C)C1 2183512374 GSIYTQGBTMMQLH-HLLBOEOZSA-N 296.524 4.605 30 10 CJEE CCCCCCCC[C@H](NC)c1ncnc2sccc12 2183787260 NKBGDRIKQKGEIN-AWEZNQCLSA-N 291.464 4.702 30 10 CJEE N#C[C@]1(C[C@@H]2CSc3ccccc32)CCCC(F)(F)C1 2184838447 BEKSNQUGBSSJQA-DOMZBBRYSA-N 293.382 4.985 30 10 CJEE C#CCCCCC[C@H](NCC)[C@]1(C)CCCC(F)(F)C1 2188655824 LPDYVCWOOSMFIQ-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CCCCCCCC[C@H](NCC)[C@](O)(CCC)C(F)F 2190011705 AWYBLRFPEKZPPL-GOEBONIOSA-N 293.442 4.511 30 10 CJEE N#C[C@@H](CN1CCC12CCCCCC2)C1CCCCC1 2190594788 RAGDIDAGZOHYRV-KRWDZBQOSA-N 274.452 4.505 30 10 CJEE C=CCC[C@H](C)N(C)c1ccc([C@@H](C)NCC)cc1Cl 2190860982 ILVZAEYKDVYBQB-UONOGXRCSA-N 294.870 4.801 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(C(C)(C)C)nc2)C1 2192112541 WHURZIJZULKGBG-KDOFPFPSSA-N 270.420 4.642 30 10 CJEE CCCC1CCC(C[C@@H](N)c2cccc(C#N)c2)CC1 2193014608 FVBSEQUYZHPJCA-JTTJXQCZSA-N 270.420 4.555 30 10 CJEE CC#CCCCC[C@@](C)(O)c1cccc2ccccc12 2196174544 OOWDUVCWUAVJMF-LJQANCHMSA-N 266.384 4.631 30 10 CJEE C#CC[C@@H](CNc1ccc(CCCCC)cc1)C1CC1 2196837391 QJCAZTSLVQWQGU-SFHVURJKSA-N 269.432 4.881 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2196855002 BMPOJAUXDNIVJY-FKSLSLAPSA-N 275.480 4.621 30 10 CJEE CCCC1CCC(C#N)([C@@H]2CCCC(C)(C)[C@@H]2O)CC1 2197065339 LBEUOIXUDJOXIG-GARNVTTQSA-N 277.452 4.674 30 10 CJEE C[C@H](CC(C)(C)C#N)OC[C@@H]1C[C@@H]1C1CCCCCC1 2200739960 VIJLZBZUAJATKI-HYVNUMGLSA-N 277.452 4.938 30 10 CJEE CC(F)(F)CCCC[C@@]1(C#N)CCc2ccccc2C1 2201699694 KTYCXENVAUERNU-QGZVFWFLSA-N 277.358 4.901 30 10 CJEE CCCCC#CC[C@H](NCCC)C1C[C@@H]2[C@@H](C1)C2(C)C 2203833925 PCNNSAXUTQCCKM-KURKYZTESA-N 275.480 4.621 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cnc(C2CC2)s1 2203834742 SFTQPGHBDSJJEN-HNNXBMFYSA-N 290.476 4.645 30 10 CJEE CN(C[C@@]1(C=O)CCCC(C)(C)C1)c1cccc(Cl)c1 2204438548 HRFXGIRHATUQBY-QGZVFWFLSA-N 293.838 4.562 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H]1CCOC1(C)C 2206886257 QIMFMQIICVZBDM-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@H](Cc1cccc(F)c1F)NC 2206891277 KDZYTIIJPNKUJI-HNNXBMFYSA-N 281.390 4.622 30 10 CJEE C=CCCCCCCOc1cc(C)ccc1CNCC 2206900177 QUQINXJFZBAJDC-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE C=CCCCCCC[C@@]1(CNCC)CCCOC1(C)C 2206904180 YTJOGNZQHCRPED-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H](O)CC(C)(C)CC 2207410116 PJAKXJNCFZVTSO-SJORKVTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@]12C[C@H](C)[C@H]1C2 2207442108 OCOLXDBRPJFYRY-MHORFTMASA-N 278.484 4.561 30 10 CJEE CCCCCCCCc1nc(C2CC2)n(C2CC2)c1N 2207447114 WDWMXODNWIYRRU-UHFFFAOYSA-N 275.440 4.581 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSCC1CCCC1)NC(C)C 2207584149 PDPGZTCCNLWBMN-WBVHZDCISA-N 296.524 4.606 30 10 CJEE Clc1cc(Cl)c(Cl)c(C[C@@H]2CCC[C@@H]3O[C@H]23)c1 2214635925 QRRKFOSKUWZFKX-LCHGKGQCSA-N 291.605 4.757 30 10 CJEE CCCCCCCCCCOc1nsnc1Cl 2216927241 STBOYCFGNUJZSK-UHFFFAOYSA-N 276.833 4.711 30 10 CJEE C=CCCCCCCC[C@@H](CCCCCC)NN 2220083713 QCNRVMXJOSPHRD-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE Cc1cc(Cl)cc(Oc2ccc(C)cc2C#N)c1 2223404328 VAMBYXBSRWUNQR-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCC[C@H](NN)c1cc(F)c(C)cc1Cl 2224231568 WCSQVFOZQRFMOI-HNNXBMFYSA-N 286.822 4.652 30 10 CJEE CCCCCC#CCC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225283609 GDLIBUNTWNXGNP-FVQHAEBGSA-N 260.421 4.746 30 10 CJEE C#CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2225667157 GUULIDCYJAUINA-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CCC(C2CC2)CC1 2225969137 UCXQNCTUVFIWLA-GPQLOAJWSA-N 261.453 4.680 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C#N)CCCC(C)(C)CC2)O1 2226853400 HMUYJLRKWMJNCP-VYDXJSESSA-N 263.425 4.834 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCC[C@@H](C)O1 2226880151 NSPNZAGFDKKYPJ-WBVHZDCISA-N 266.425 4.820 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@@H]1C[C@@H]1C(F)(F)F 2227287771 REBKBUCAKLAYMY-RDBSUJKOSA-N 278.358 4.853 30 10 CJEE C=C1CC(C[C@H](NCC)[C@H]2CC[C@H](CCC)CC2)C1 2229865839 OUVSIFFLMFIEJQ-SZMVWBNQSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CC[C@H]2[C@@H]1C2(F)F 2230432000 ADUJMAVQRDHXSU-ZNMIVQPWSA-N 273.411 4.713 30 10 CJEE CCCCCCCCCO[C@H](CC)CN[C@H](C)CC 2230992601 NKAWDVZRYOGRQS-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CC[C@@H](C[C@@H](O)C#Cc1ccc(Cl)cc1)C(C)(C)C 2231086590 FAAPXPLVCYHWCO-HOCLYGCPSA-N 278.823 4.515 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H]1Cc2ccccc2S1 2231102537 FQFKUGUEFXKKRE-CVEARBPZSA-N 276.445 4.855 30 10 CJEE Cc1ccc(C#CC(=O)c2cc3sccc3s2)cc1 2231166736 HSKSWYJPCRLVHM-UHFFFAOYSA-N 282.389 4.506 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2c(C)cccc21 2231540864 RHZBPXVXNBOZHX-GOSISDBHSA-N 257.421 4.708 30 10 CJEE CCCC[C@@](C#N)(CC)CC12CCC(OC)(CC1)C2 2231625053 BSRSSAZLRDQBTI-GTPINHCMSA-N 263.425 4.836 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(C3CC3)cc2)C1 2231691465 BXDZSRBCYAMAQS-KSSFIOAISA-N 253.389 4.827 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2231775588 LSMPXOQZUJCVAJ-MNOVXSKESA-N 286.284 4.750 30 10 CJEE CCCCCCCC[C@@](C)(N)CCC1CC(OC)C1 2231901565 RHUHSQNQVLIGNN-OFLPRAFFSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H](CCC)OCC 2231929063 NWBKIOJMFVATSW-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CN[C@@](C#N)(CCCSCCCCCC1CC1)C(C)C 2235466016 PTQMUTWBROEEJX-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CC[C@@H]1OC)NCC 2235521335 IPOPDGBHQUQGHH-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1c(Cl)ncn1CC 2235525591 BXANLPNRUOJXAF-CQSZACIVSA-N 297.874 4.734 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(C2CC2)nc1 2235526450 KYYIVYHHZLALIT-QGZVFWFLSA-N 272.436 4.876 30 10 CJEE C=CCCCCCCC[C@H](NC)c1oc(CC)nc1C 2235533796 CUBHTCHUBVMGQP-HNNXBMFYSA-N 278.440 4.723 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)CCC(F)(F)F 2235537303 BDWPUNJBHVQSSI-AWEZNQCLSA-N 294.357 4.566 30 10 CJEE CCSc1cccc(NC[C@@H]2CC=C(C)CC2)c1C#N 2237308850 ZLFZUYZLSSUFCE-CQSZACIVSA-N 286.444 4.829 30 10 CJEE CCCCCCCCCO[C@@H](c1ccccc1)[C@H](C)N 2239483223 QMIGJANYAZLWAD-FUHWJXTLSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](NCC)[C@H]1C 2239488456 ABAIGBXJSFOMLA-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCC1CCC([C@](C)(O)C#Cc2cccc(Cl)c2)CC1 2239503112 VYNDLGNWMOWKHK-JFUPDXTOSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCCCOc1ccc(F)nn1 2239558150 CYRMLDOYTGEQBC-UHFFFAOYSA-N 282.403 4.915 30 10 CJEE CC1([C@@H](O)C#Cc2ccc(Cl)cc2)CCCCCCC1 2239569377 PSQRAETZBCJXKV-KRWDZBQOSA-N 290.834 4.803 30 10 CJEE CC(C)CCC(=O)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 2240173345 PWLHHZCEUZTMKU-INIZCTEOSA-N 271.404 4.597 30 10 CJEE CCCCC#CC[C@@H](NC)c1ccc(C2CCC2)cc1 2240355968 VGSYRIVTZAZJKV-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCCCC[C@]1(C)[C@@H](NC)CCN1[C@H](C)CC 2240639379 DYLMSMJOGREYGG-FGTMMUONSA-N 282.516 4.588 30 10 CJEE CC1(C)CC(Sc2ccc(C#N)cc2Br)C1 2245163837 XYPYLQCFKNVSBN-UHFFFAOYSA-N 296.233 4.601 30 10 CJEE CCC[C@@H](CC)[C@H](C#N)Nc1ccccc1Br 2250370082 XCUPTUCEZFBMHY-RISCZKNCSA-N 295.224 4.579 30 10 CJEE Cc1ccc(Cl)c(CC=CC#CC(C)(C)C)c1O 2256685068 SRMFURYFVPOGEJ-UHFFFAOYSA-N 262.780 4.502 30 10 CJEE C=CCCCSC[C@@H](NCC)C1(C)CCCCC1 2258981374 OHMFKNQFROGPIO-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=C(C)CCCCOc1cc(Cl)ccc1[C@H](C)O 2259190075 ITSHVGIKGBBFOC-LBPRGKRZSA-N 268.784 4.519 30 10 CJEE CCN(CCCCCCCS)c1ccccc1F 2263208230 RFYDKOAOAZQOHQ-UHFFFAOYSA-N 269.429 4.532 30 10 CJEE CCCCCCCC[C@H](NCC)C1(OC)CC(C)C1 2266324030 GSFXLOQLIUBTHP-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE C=CCCCS[C@H](CC)[C@@H](NCC)c1ccccc1 2271484095 AEBHZFNPEDZVNE-SJORKVTESA-N 277.477 4.815 30 10 CJEE C=CCCCSC[C@H](NCCC)C12CCC(CC1)C2 2271488700 OIMHINDZLDMBQF-CGZBRXJRSA-N 281.509 4.634 30 10 CJEE C=C(C)CCCCNC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2271785855 RFALTOMUVSBJQB-SQNIBIBYSA-N 263.469 4.929 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CC2CCC1CC2 2271833797 VAPPICLJEVBPAU-OPQOLIRYSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 2271837242 QHIWNWFUNJMYNG-ILOCAZANSA-N 263.469 4.783 30 10 CJEE CC(C)C1CCC(C=O)(C[C@]23CCC[C@@H]2CC3)CC1 2273406273 JZYXKUSQSNXTTL-GPQLOAJWSA-N 262.437 4.988 30 10 CJEE Cc1cc(Cl)c(Cl)cc1[C@H](O)C#CC1CCCCC1 2274074116 RCMIWKSMXJJIDJ-MRXNPFEDSA-N 297.225 4.919 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCN)[C@@H](C)CC 2276704869 LMYOICUJZIBSMD-DLBZAZTESA-N 269.473 4.683 30 10 CJEE C=CCCCCCC[C@@H](C[C@H](C)CC)OCCCN 2276985177 ZKJACSGFQLLBQR-SJORKVTESA-N 269.473 4.683 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@@H](C)CCCCCCCCC)C1 2278241225 CFIYCTPEMSAQPD-RCCFBDPRSA-N 263.469 4.907 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc2scnc2c1 2278668436 ZJRUJGYOWLIBPK-AWEZNQCLSA-N 274.433 4.823 30 10 CJEE CCCCCC[C@@H](C)N=C1N[C@@]2(CS1)C[C@H]1CC[C@H]2C1 2283933240 ZULQUZZKOCTFBE-WBTNSWJXSA-N 294.508 4.597 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cc2ccccc2s1 2284179182 OVLVCLMNAWDTGC-OAHLLOKOSA-N 284.424 4.931 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H](CC(C)(C)C)OC)C1 2287313991 QIRIBKVHCCZROX-HNNXBMFYSA-N 281.484 4.552 30 10 CJEE C=C(C)CCCCOc1ccc(CNCCC)cc1Cl 2287415492 UYHGQXOLCRHDBP-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2CC3(CC(C)C3)C2)C1 2287802043 CJJTVLLYUROSON-UHFFFAOYSA-N 275.480 4.927 30 10 CJEE O[C@@]1(C#CC2CCCCC2)CCCCC12CCCCC2 2289785556 WNBDPPRUQLEVLT-LJQANCHMSA-N 274.448 4.826 30 10 CJEE CCN[C@H](C)c1cccc(SCC#CC2CCCC2)c1 2289852049 LXBIUUHSELLOBZ-OAHLLOKOSA-N 287.472 4.643 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H](CC)C1 2289903534 CFUVSLGDWZWJNF-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCCC[C@H]1C 2290915038 NXAXWDWWHJJWAI-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=C1C[C@H]1C[C@](C)(CCCCCCC)OCCC(=O)O 2291678942 QLLUPWIJYFERKC-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCN)C1CCC(C)(C)CC1 2293140117 XRXJEWXNOXRUMP-YJBOKZPZSA-N 281.484 4.539 30 10 CJEE C=CCCCC[C@H](OCCCN)c1cc(Cl)ccc1F 2293268359 ITELJLBVQMQQDB-INIZCTEOSA-N 299.817 4.632 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1sncc1C 2294539564 WFGDHDTXKCMCFA-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@]12C[C@](C)(CO1)C2 2295673429 HXGANIMAKNWMOF-KURKYZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COC2(CCC2)C1 2295676700 NKMNUYRREJHUHW-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccsc1Cl 2301060291 MBQFNZPTSZYAJM-ZDUSSCGKSA-N 269.841 4.821 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2302213950 ZJLHILFVTSFZGK-ISVAXAHUSA-N 276.182 4.605 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1c(C)sc(C)c1C 2304025657 UXIRWZSKHUSUGB-CABCVRRESA-N 251.439 4.666 30 10 CJEE FC1(F)C[C@]1(CS)CSCc1ccccc1Cl 2306940491 GIUJZISPFVOHET-NSHDSACASA-N 294.819 4.528 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1CCC 2312084943 YOEUAYDEYUWCBT-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)C)c(C)c1 2313696591 WQTDSQANRCBPSV-AWEZNQCLSA-N 263.450 4.550 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(F)ccc(C)c1Cl 2314005291 NJVLUEKDEUSKJH-IAQYHMDHSA-N 269.791 4.650 30 10 CJEE CCC[C@@H](OCC[C@H](C)CCS)c1ccccc1 2318100424 AVEPVQPWNDCXFM-GOEBONIOSA-N 266.450 4.891 30 10 CJEE Clc1cc(Cl)cc(CCCC[C@@H]2CC[C@@H]3O[C@H]32)c1 2318609640 HUAREKAJYINYHG-UGFHNGPFSA-N 285.214 4.884 30 10 CJEE C=C([C@H](CCC[C@@H]1C[C@H]1C)NCCC)C(C)(C)C 2318944989 VMKLVNVYKHPNBR-BMFZPTHFSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@@H]1C1CC1 2319582649 WZCZFGZRBGXORF-YESZJQIVSA-N 251.458 4.891 30 10 CJEE CCCCCCCCNCC[C@@H]1CC[C@H]1C1CC1 2319775133 VAUGCWPEXBRRNT-IRXDYDNUSA-N 251.458 4.763 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(C)cc1Cl 2321115101 CWAJLECHVWRXSX-HZPDHXFCSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1C[C@@H](C)C[C@H](C)C1 2321228823 PQNKOONXPICSKS-DIECFANBSA-N 252.442 4.802 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2321228824 PQNKOONXPICSKS-HMDCTGQHSA-N 252.442 4.802 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C12CC(CC(C)C)(C1)C2 2321596465 YOQHOIDBOFAKPN-XNIRIUNOSA-N 250.426 4.556 30 10 CJEE CCC(=NOCc1ccccc1C)c1ccc(F)c(C)c1 2330277619 FPGVVAWFBXPLLI-UHFFFAOYSA-N 285.362 4.773 30 10 CJEE CCCC#CC[C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C 2333166386 FCCKTNWLABDKIG-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)S[C@@H](CC)[C@H](N)c1ccccc1 2335096991 SQBXMHUZEHRLMR-DLBZAZTESA-N 275.461 4.719 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnccc1SC 2336860133 YOFKXCWEYPVODL-OAHLLOKOSA-N 280.481 4.944 30 10 CJEE CCCC[C@](C#N)(CC)c1cccc(C(C)(C)F)n1 2337632047 VHMGELKQDPYFDQ-INIZCTEOSA-N 262.372 4.648 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)CCC(CC)CC 2338127638 CQSHFPVKAOTCHQ-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)[C@@H](C)CC(C)(C)C 2338252646 NCUHANKMXFHFDP-HOCLYGCPSA-N 277.477 4.540 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(SCC)cc1 2338726379 ZXHLBWRIVYZRQJ-QGZVFWFLSA-N 275.461 4.828 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc2ccccc12 2338731488 AWTRBKCXGWDVNG-SFHVURJKSA-N 251.373 4.608 30 10 CJEE C=CCCCCCN[C@H](C)c1ccc(F)c(C)c1C 2341076518 DDOHWKRTIAVMLW-OAHLLOKOSA-N 263.400 4.840 30 10 CJEE C=CC(C)(C)NC[C@H](c1ccccc1)C1CCCC1 2342482817 OULVLWJDMHPYJA-QGZVFWFLSA-N 257.421 4.515 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1cccc(C(C)C)c1 2343796811 DYRWPRXVZQBRHB-KRWDZBQOSA-N 259.437 4.543 30 10 CJEE C=CCCCCCCCNCCCc1csc(C)n1 2343852492 ITQXCBOJGDCDPG-UHFFFAOYSA-N 280.481 4.500 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(F)cc1Cl)NC 2344349690 VNBSRUBCYFTFOS-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1ccc(C)c2ccccc12 2344394262 BDIZRTPIBPFCHW-KBXCAEBGSA-N 253.389 4.621 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C#N)CCCOC2)c1Cl 2353187687 ZKDVPDREBQYTGD-IAQYHMDHSA-N 298.213 4.726 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]12C[C@H](CO1)C2(C)C 2359838974 VTGGKBLKQKAGKD-RYRKJORJSA-N 282.468 4.693 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H]1CCC[C@H]1C(C)C 2359888796 XWANEVNYYDKQDL-OTWHNJEPSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(F)cc1 3155845 XJWGORLANHIQQI-UHFFFAOYSA-N 279.399 4.696 30 10 CJEE Cc1ccccc1[C@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@H]21 14478560 PXDXZLZGYUWNSG-YVWKXTFCSA-N 286.378 4.693 30 10 CJEE CCC[C@@H](C)N(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 36790577 FGYOMLHLPMBQBU-QBPKDAKJSA-N 278.484 4.851 30 10 CJEE CC(C)c1ccc(Sc2ccc(C#N)cc2F)cc1 36886955 BIRBCVMVFCRVNH-UHFFFAOYSA-N 271.360 4.972 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 37306453 ZRCFOTDEPFCEMP-NHYWBVRUSA-N 297.320 4.925 30 10 CJEE CC(C)(C)c1cccc(Oc2ccc(C#N)cc2)c1 37420717 DUMBKROEEQPXKU-UHFFFAOYSA-N 251.329 4.648 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cc(Cl)cc(Cl)c1 37938102 UPFHYEKZECLLTG-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Fc1cc(Cl)ccc1/N=C1/NC2(CCCCC2)CS1 53098027 XCQPOTOBEAWFMC-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE N#C[C@H]1CCC[C@H]1Nc1ccc(Oc2ccccc2)cc1 54823239 LZHDLVAIGOTAAA-RDTXWAMCSA-N 278.355 4.583 30 10 CJEE CCc1cccc(OCCC[C@H](C#N)c2ccccc2)c1 57684458 GYXTYALZGMGBAW-GOSISDBHSA-N 279.383 4.715 30 10 CJEE CCCCCCCCNCCc1ccc(Cl)cc1 59055359 TWKKPKPHPAOSTM-UHFFFAOYSA-N 267.844 4.833 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCC[C@H](C2CC2)C1 81642512 PJXSVMDNTSXYSY-XJKSGUPXSA-N 274.795 4.614 30 10 CJEE N#CC1(c2c(Cl)cccc2Cl)CC2(CCC2)C1 86544391 UFTSZARAEGKERB-UHFFFAOYSA-N 266.171 4.719 30 10 CJEE CC(C)(C#N)CCOc1ccc(Cl)c2ccccc12 87596083 BHNZWAMSPMFDAU-UHFFFAOYSA-N 273.763 4.812 30 10 CJEE CCCCOCCC1(C#N)CCC(CCC)CC1 87959648 WHZMHSVHKLWHAV-UHFFFAOYSA-N 251.414 4.693 30 10 CJEE CCc1ccc(C[C@]2(C#N)CCC[C@@H](CC)C2)cc1 87972828 RVYVDUONMAHTKC-AEFFLSMTSA-N 255.405 4.902 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCCCC2(C)C)cc1 94275935 IMFYFGZITJFVGV-INIZCTEOSA-N 270.420 4.868 30 10 CJEE CCN(c1ccc(F)cc1)c1cccc(Cl)c1C#N 104001482 VCNLCRKMTBKKDQ-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 112311605 AKIVHJGMUMASBH-INMHGKMJSA-N 266.425 4.654 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccc1OC)NCC 112893676 SRXOLGNOESUJPK-SFHVURJKSA-N 291.479 4.966 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@H]1CCC 114071352 HVVSGICOKPUOBX-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC(=O)Nc1ccccc1[C@H](C)N 115854907 MXSDQJCKRPKWDT-HNNXBMFYSA-N 290.451 4.786 30 10 CJEE CCCCCCCCCC[C@H](NCCC)C(OC)OC 123541005 NJWZKSNYRWCSIH-INIZCTEOSA-N 287.488 4.504 30 10 CJEE CCC[C@H](CC)Nc1ccc(C(F)(F)F)c(C#N)c1 124017327 PLODGYVJEDAIDQ-NSHDSACASA-N 270.298 4.568 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C)c(Br)c1 125695340 BFKXKGSYHYULTQ-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@@H](NN)c1sccc1Cl 130329555 LFEHBHVINZHAOV-GFCCVEGCSA-N 274.861 4.657 30 10 CJEE CCCCCCCCC[C@@H](O)[C@]1(C)CCCS1 135355234 MAHYLEVUZJCHTR-CABCVRRESA-N 258.471 4.774 30 10 CJEE CCCCCCCCCC[C@@](C)(C#N)C(=O)OCC 136075255 LWTAGCZGFOXBGN-INIZCTEOSA-N 267.413 4.610 30 10 CJEE CCCCCCCC[C@H](NCC)c1snnc1CC 140434560 GLGVSWYORLZMOA-AWEZNQCLSA-N 283.485 4.502 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(F)c(F)c1 147292943 NVBJZFBMEUXBPD-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE CCCCCCCC[C@H](O)Cc1cccc(F)c1F 148743676 ZBZRYQMWUWOOGP-AWEZNQCLSA-N 270.363 4.619 30 10 CJEE C=CCCC(=O)c1ccc2cc(Br)ccc2c1 165951955 BITHHHILPPSDHT-UHFFFAOYSA-N 289.172 4.751 30 10 CJEE CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1Cl 167278413 HSROKPIPCVMXEQ-LBPRGKRZSA-N 284.790 4.549 30 10 CJEE C#Cc1ccc2c(c1)C1c3ccccc3C2c2ccccc21 207755517 CPHUBIWPSKMZTD-UHFFFAOYSA-N 278.354 4.655 30 10 CJEE N#Cc1ccc(CSC2=Nc3ccccc3SC2)cc1 212891845 BCJMELIYASNOOX-UHFFFAOYSA-N 296.420 4.627 30 10 CJEE CCCCCCCCN[C@@H]1c2ccccc2OC[C@H]1C 228177040 GSHSJOLXGOSGGG-QAPCUYQASA-N 275.436 4.706 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](O)c2cc(C)ccc2O1 229406974 IMYBDBZHBHTONZ-GDBMZVCRSA-N 262.393 4.540 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)nc(C)c1 231657042 QLLDXRLEXHDUFB-KRWDZBQOSA-N 263.425 4.873 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)C(CC)CC 232970211 MXQCLHFBEJYUHQ-QGZVFWFLSA-N 270.505 4.575 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1N 235276771 DVOOYYDMLAWDCN-OAGGEKHMSA-N 251.458 4.913 30 10 CJEE Cc1coc(SCCCCCCCCCS)n1 235816484 LITFTRCQRBMGPI-UHFFFAOYSA-N 273.467 4.736 30 10 CJEE Cc1ccc(C(=O)[C@H](CC#N)c2ccccc2)cc1Cl 235842363 AMVHFKOHWNYGTH-OAHLLOKOSA-N 283.758 4.529 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(Br)c1F 236214435 SNSXXEPUNMEGHR-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE C=CC[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12CC=CCC2 238094435 LMCSYZSOZKILKA-YJBOKZPZSA-N 291.435 4.689 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CCCC(F)(F)C1 302318615 CAXWDZINBCHQOB-KBPBESRZSA-N 262.384 4.923 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCC(F)(F)C1 302455051 XUVKOFHFLVMLNC-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCOCc2ccccc2)C1 309920447 VSVMFHSXFUSCGP-FUHWJXTLSA-N 271.404 4.703 30 10 CJEE C=CCC(C)(C)CNc1ccc(C(F)(F)F)cc1 311171599 QVMOCWZXZUIAES-UHFFFAOYSA-N 257.299 4.720 30 10 CJEE N#Cc1cc(F)cc(OCc2c(Cl)cccc2Cl)c1 311619368 WYVYPMGWIYKEON-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CSc3ccccc32)C1 317090757 DKFIMQUNKZMJBQ-JKIFEVAISA-N 274.429 4.661 30 10 CJEE N#CC1(C[C@@H](O)CC2CCCC2)CCCCCCC1 381666232 OQSQEDXOQAACNH-INIZCTEOSA-N 263.425 4.572 30 10 CJEE C=CCN(c1ccc([C@H](C)NC)c(Cl)c1)C1CCCC1 383787207 YTEUGCPUZQRBAK-ZDUSSCGKSA-N 292.854 4.555 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(F)cc1Cl 384886686 SGXGKGMWFJFWRM-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@H](CC(C)(C)C)CS1 393534375 YKNYVLXTBKJRJZ-CYBMUJFWSA-N 284.513 4.556 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1cccc(C(F)(F)F)c1 393744757 KQJMXIGOEJVDHG-SMDDNHRTSA-N 271.326 4.711 30 10 CJEE C[C@](C#N)(Cc1ccc(F)cc1Cl)c1ccccc1 405560899 ACLOJEZGQAZUSX-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE CCCCCCCCCNCC=C(Cl)Cl 407169411 XQBBGGXLZWZZBD-UHFFFAOYSA-N 252.229 4.646 30 10 CJEE C#CCCCCCNc1ccc2c(c1)CCCCC2 686688648 XPCKGOBTODOKNS-UHFFFAOYSA-N 255.405 4.561 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC 686691203 HIXIEUZKUWADKP-KZNAEPCWSA-N 263.469 4.622 30 10 CJEE CCCC1(/N=C2/NC3(CCCCC3)CCS2)CCCC1 687322616 BLNVKDWBBFAFTD-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE CCCCCCCCCCCC[C@H]1COC[C@@H]1NC 687997820 QLFOTUACCLXXJZ-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCC[C@@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316300 QGRNKAPEKULCPT-MRXNPFEDSA-N 265.441 4.674 30 10 CJEE CCSc1cccc(N[C@H]2CCCC(F)(F)C2)c1C#N 695095284 FQSDCUXOLDQMKD-NSHDSACASA-N 296.386 4.660 30 10 CJEE Cc1cc(Cl)cnc1C1(C#N)CCCCCCC1 695245282 BLFKJPVCRSGRJO-UHFFFAOYSA-N 262.784 4.549 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@H]1CCCN1 695432508 FQUWUFOQQZPTRI-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CC[C@@H]1N/C(=N/[C@@H]2CCCC(C)(C)CC2)S[C@@H]1CC 697623349 UHHIVAXEHBPJJK-HZSPNIEDSA-N 282.497 4.595 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)C 698450642 BBGOPLDOZQLPKC-RHSMWYFYSA-N 296.455 4.740 30 10 CJEE Cc1ccc(CNc2cccc3ccsc23)cc1C#N 701843038 KNWNTBCVHRXZCL-UHFFFAOYSA-N 278.380 4.694 30 10 CJEE C=CC(C)(C)CCNCc1ccc2ccccc2c1 701866724 CMZHKBQBRZIWEX-UHFFFAOYSA-N 253.389 4.532 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C)c(F)c(C)c1 702138170 KXFYAZYVKSEDOZ-MRXNPFEDSA-N 263.400 4.840 30 10 CJEE CCC[C@H]1CCCCN(c2cc(Cl)ccc2C#N)C1 703218795 JFLPFUAGHHSBRS-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CCCCCCCCCC[C@@](C)(N)C(F)(F)F 704889393 MUGXYPSVNWNYJP-GFCCVEGCSA-N 253.352 4.797 30 10 CJEE CCCCCCCCC[C@H]1[C@H](NCC)CCN1CCC 712168761 CDDIQYRUHGEQPC-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCC1(C/N=C2/NC3(CCCCCCC3)CS2)CCC1 713202862 NJUOSKOPHAJOET-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE N#CC1(C[C@@H]2CCC3(CCC3)CO2)CCCCCC1 716348760 YQPNNKTZAHGMAJ-HNNXBMFYSA-N 261.409 4.590 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@H]1CCC2(CCC2)O1 717154789 AXKFBSKDDJZODM-IAGOWNOFSA-N 281.484 4.817 30 10 CJEE CC[C@@](O)(CC1CCCCC1)C1(C#N)CCC(C)CC1 720399442 LHKSPBUORRZNMO-VMWRSERWSA-N 277.452 4.818 30 10 CJEE Cc1cc(Oc2cc(Cl)ccc2Cl)c(C#N)cc1N 721045314 ILSNFZLVXQPBSE-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE C=C1CCC(C[C@@H](Cc2cccc(Cl)c2)NC)CC1 724545736 SVZASOWVILNGDY-KRWDZBQOSA-N 277.839 4.607 30 10 CJEE CC[C@H](C)C[C@H](C)/N=C1/N[C@H](C2CCCCC2)CCS1 725107166 BRYOVLASLDQUKG-DZKIICNBSA-N 296.524 4.843 30 10 CJEE C=CCOc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 916135205 JHKKIBJBMNMGAF-FMIVXFBMSA-N 298.769 4.801 30 10 CJEE C=CCC1(NCc2cc3ccccc3[nH]2)CCCCC1 1178723027 AXXKYQCGEBOKGY-UHFFFAOYSA-N 268.404 4.537 30 10 CJEE C=CCN(Cc1ccsc1C)CC1CCCCC1 1180293209 XJPDRMKQUHKSJL-UHFFFAOYSA-N 263.450 4.625 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCCOc2cc(F)ccc21 1180350119 VNIMCUVNPODIKJ-RDJZCZTQSA-N 291.410 4.764 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cccc(Cl)c1Cl 1289492903 PLXFJEPSPQOQFC-LLVKDONJSA-N 298.213 4.564 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(Cl)c1 1310101594 SAPLQGKCMDMGEQ-DOMZBBRYSA-N 292.810 4.596 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)[C@H](CC)c1ccccc1 1354079361 RJBBDHUMJGBYII-NVXWUHKLSA-N 273.420 4.589 30 10 CJEE C=C[C@@H](CC(=O)N(C)c1cc(C)cc(C)c1)c1ccccc1 1356470576 BWCRDBULQBHZMW-KRWDZBQOSA-N 293.410 4.626 30 10 CJEE C#Cc1cccc(N(C(=O)[C@@H]2CCC=CCCC2)C(C)C)c1 1455951605 XZSNZQDLFQJHDZ-GOSISDBHSA-N 295.426 4.546 30 10 CJEE CCCCCCCCCN1CCc2c(C#N)cccc21 1460288271 XAOBWMXLSSIVKG-UHFFFAOYSA-N 270.420 4.671 30 10 CJEE C#Cc1ccc(CNCC[C@H]2C[C@H](C)CC(C)(C)C2)cc1 1461476020 XSNCFLCAUUSPSE-LPHOPBHVSA-N 283.459 4.610 30 10 CJEE C#CC1(NC(=O)CCCCCCCCCC)CCCC1 1462438815 LSOBOYRVOCNGFQ-UHFFFAOYSA-N 277.452 4.579 30 10 CJEE C=CCCCCCN(C)CC/C=C\c1ccccc1 1473178582 IXSAGHQJNWILCE-GDNBJRDFSA-N 257.421 4.768 30 10 CJEE C=CCC(C)(C)CNCc1ccc(-c2ccccc2F)o1 1474159109 GNWAPQGGCOQEGC-UHFFFAOYSA-N 287.378 4.778 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cccc(C2CCCC2)c1 1520520517 LUTVXLBHZIIFCC-OAHLLOKOSA-N 285.431 4.819 30 10 CJEE C=CCCCCCCNC(=O)c1ccccc1C1CCC1 1520903844 CJIJQXLOHSBDND-UHFFFAOYSA-N 285.431 4.820 30 10 CJEE C=CC(C)(C)CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1533842034 PSFROHAEZLHYDW-JLHYYAGUSA-N 299.458 4.716 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)CCCCCC 1537213216 HNCHYQBIXQYGBI-DLBZAZTESA-N 279.468 4.940 30 10 CJEE C=C(C)CCC(=O)O[C@H]1CCC[C@H]1c1ccc(C)cc1 1539282599 QTZNDWGUHPSJHJ-IRXDYDNUSA-N 272.388 4.531 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](C)CCCCCC)c1ccccc1 1540574071 BEGREDZVXOIGAW-SJORKVTESA-N 287.447 4.821 30 10 CJEE C=CCCCCCCCCNC(=O)Nc1ccccc1 1561619509 BONSXLUFKJRFCF-UHFFFAOYSA-N 274.408 4.725 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1cc2ccccc2s1 1588219876 YUGCWQDABJNZMR-LBPRGKRZSA-N 274.385 4.547 30 10 CJEE C#C[C@H](NC[C@@H](CC)c1ccccc1)c1ccc(Cl)cc1 1621368449 KUCMUDPVYAWPTM-BEFAXECRSA-N 297.829 4.798 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)c1 1627395437 ZYPBBKKKRWMUDT-GOEBONIOSA-N 271.404 4.731 30 10 CJEE C=CC(C)(C)CCNCc1ccc(F)c(Cl)c1Cl 1651366060 OALIJNWINRWEJN-UHFFFAOYSA-N 290.209 4.824 30 10 CJEE C=CC[C@@H]1N(Cc2cc(O)cc(Cl)c2)CCCC1(C)C 1652328084 YMXVTKMPKLKSAU-INIZCTEOSA-N 293.838 4.612 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](CCc2ccccc2)C(F)F)C1 1652833002 XYTGUQSIYXBBKX-BRWVUGGUSA-N 293.401 4.587 30 10 CJEE C=C(C)c1cccc(NC2CCC(F)(F)CC2)c1 1653215491 FZPJGQGKWIPKMG-UHFFFAOYSA-N 251.320 4.710 30 10 CJEE C=CCCN[C@H](Cc1ccccc1)c1sccc1C 1653236879 LSZKYFCCGONRPL-MRXNPFEDSA-N 271.429 4.506 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](CC)c1ccccc1 1657028890 VYTJHQKFHNNMHU-FQEVSTJZSA-N 295.426 4.835 30 10 CJEE C=C1CCN(Cc2ccc(-c3cccs3)cc2)CC1 1657196401 CQTRJKDUFIAEOK-UHFFFAOYSA-N 269.413 4.567 30 10 CJEE C=CCN(C/C=C\c1cccc(F)c1)CC1CCCCC1 1659177100 AGPBTGNDTJPPMZ-XFFZJAGNSA-N 287.422 4.907 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@@](C)(c2ccccc2)C1 1665313138 ZIIZTOQPAWHTIC-PKOBYXMFSA-N 271.448 4.689 30 10 CJEE CC1(C)CCC2(CC1)CC(OCC#C[Si](C)(C)C)C2 1878996220 MJAYJHQYKGMQHL-UHFFFAOYSA-N 278.512 4.633 30 10 CJEE CCCCC[C@@H](CC)N(C)C[C@H](C#N)C1CCCC1 1879298366 RKTMOMDORZCMFN-DLBZAZTESA-N 264.457 4.607 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC(C)=C[C@H](C)C1 1879651359 RYRJXWVPXAFOKB-SZMVWBNQSA-N 261.453 4.541 30 10 CJEE Cc1ccc(N=C2N[C@@]3(CC[C@@H](C)C3)CS2)cc1Cl 1880884679 DMKGRGPVJUHNBB-MEBBXXQBSA-N 294.851 4.531 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H](CC)CCCC 1881292815 CZJHJZURAWMNPL-QGZVFWFLSA-N 259.437 4.891 30 10 CJEE C=CCCCN(CC)[C@H](c1ccccc1)C(F)(F)F 1884091484 BCPCFJXPCHPITK-CQSZACIVSA-N 271.326 4.578 30 10 CJEE CC#CCCCC[C@@]1(C(=O)O)CCCC(C)(C)CC1 1885244136 HJOYQZNVLZTNFS-QGZVFWFLSA-N 264.409 4.631 30 10 CJEE C#CC[C@H](CC1(N)CCC(CCCC)CC1)C1CC1 1887464750 PADGSONTBKOMOJ-IIIMJFFVSA-N 261.453 4.504 30 10 CJEE C=C(C(=O)C(C)(C)C1CCCCC1)c1ccccc1 1888689896 UAQJXXBSCTWLAV-UHFFFAOYSA-N 256.389 4.875 30 10 CJEE CCCCCCCOCC[C@H](C)NCc1ccccc1 1915413811 KJLQWHMSSMZCHP-KRWDZBQOSA-N 277.452 4.542 30 10 CJEE Cc1cccc(N[C@@H]2CCC3(CCCCC3)C2)c1C#N 1915869679 OCELSUOIRDNLRG-OAHLLOKOSA-N 268.404 4.782 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)[C@H](C)CCC(C)C 1919400782 AOTOUNDIIGTTJG-NVXWUHKLSA-N 270.457 4.739 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)CCC(C)(C)CC 1920376108 KTCZPOMNHULXRM-NVXWUHKLSA-N 271.489 4.642 30 10 CJEE C=C([C@@H](NCC)c1cscc1C(F)F)[Si](C)(C)C 1922963825 WXYSTGORPYJZHE-GFCCVEGCSA-N 289.467 4.770 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC[C@@H](C)C[C@H]1C 1947134239 DLNGZYRGMCMOEY-MGPQQGTHSA-N 258.471 4.564 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](C)C(F)F 1948544506 PHOSSHCQFJYCGW-OLZOCXBDSA-N 250.373 4.779 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1[C@@H]2CCCC[C@@H]12 1954904758 LMEVWOZIXTYEDC-QZTJIDSGSA-N 269.432 4.501 30 10 CJEE C=CC[C@H](C)Cc1cc(Br)ccc1Cl 1955005315 PAIAFJPJFJUIPE-VIFPVBQESA-N 273.601 4.857 30 10 CJEE C=C(C)CC[C@H](C)NCc1ccc(C(C)(C)C)cc1 1964042998 QSIPWOPPBUWPLF-HNNXBMFYSA-N 259.437 4.819 30 10 CJEE N#Cc1sccc1COc1ccc(Cl)cc1Cl 1964735216 BBKHRMABVVSFPS-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE CC1(C)CCC[C@H](COc2cccc(Cl)c2C#N)C1 1970659679 XEZDBBHCUKEJLI-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE N#Cc1ccc(N2CCCC3(CCCC3)CC2)c(Cl)c1 1973006899 IZZZBVGWOFRJEP-UHFFFAOYSA-N 288.822 4.762 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cscc2Cl)C1 1983399019 IHKKTCFLCZBCFE-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE C=C(C)CN(Cc1cc(Cl)sc1Cl)C(C)C 1990928968 PHWCVXBVKHHEBZ-UHFFFAOYSA-N 278.248 4.841 30 10 CJEE C=C[C@H](C)CC(=O)c1c(Cl)ccc(Cl)c1F 1994346842 YJVLSXQTGBDFPH-ZETCQYMHSA-N 261.123 4.527 30 10 CJEE CC=CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2000293326 JSHABHKJKBOFRI-UHFFFAOYSA-N 262.761 4.827 30 10 CJEE CC1(C)CC[C@]1(C=O)Cc1ccc(Cl)c(Cl)c1 2014845733 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C=CCCCS[C@@H](C)[C@@H](NCC)c1ccc(F)cc1 2271502189 IKUYACQEPQFLEU-XJKSGUPXSA-N 281.440 4.564 30 10 CJEE C=CCCCCCCCSc1cc(C)nc(C)c1N 2271581440 JLBYJCUIZWFORZ-UHFFFAOYSA-N 278.465 4.899 30 10 CJEE C=C1CCC(CN(C)C[C@@]23CCCC[C@H]2CC3)CC1 2273396582 YDEUYKCMNUMHCQ-ROUUACIJSA-N 261.453 4.635 30 10 CJEE CCCC1CCC([C@@H](N)CC#CC2CCCC2)CC1 2274119533 ACZIYCSAQKPRMV-VJFUWPCTSA-N 261.453 4.504 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2274128782 LVFFCJGLXHXFIM-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE CN(CCCCCCCS)CC[C@@H]1CCCC12CC2 2277499939 GXOLTYYTGSLFGQ-INIZCTEOSA-N 283.525 4.769 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H]1CCCOC1 2278177152 UFWWBYFQGXOPMJ-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)CCCCO 2278244169 IJILSBUHEMCOMS-DLBZAZTESA-N 271.489 4.656 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279633547 MJCJKGLTXDZFRN-KBUPBQIOSA-N 291.401 4.936 30 10 CJEE N#C[C@H](CNc1c(F)cc(Cl)cc1F)C1CCCCC1 2281502175 BTOJOGZBSWYIFT-LLVKDONJSA-N 298.764 4.750 30 10 CJEE 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CCCCCCCC[C@@H](NCCC)[C@H]1C[C@H](F)C1 2327436566 IMIFPKJORZCOBZ-BZUAXINKSA-N 257.437 4.853 30 10 CJEE SCC1(CO[C@@H]2CC[C@@H]3CC[C@H]2C3)CCCCCC1 2328854716 AWXUQKGGNHMOCQ-HRCADAONSA-N 282.493 4.852 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@]23C[C@H](C)[C@@H]2C3)CC1 2329403215 PEDUPPUCYVDURW-DZJNRPSUSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C(C)C 2337114114 NJHFVGLMQPRTIH-NJAFHUGGSA-N 257.421 4.718 30 10 CJEE Cc1ccc(C(C)C)cc1Nc1ccc(C#N)cc1 2337641151 QDYPHPXTBQGMMF-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE C#CCCCCCCN[C@H](CC)c1cccc(C)c1 2338809284 CMCCQWYYHUYXOR-GOSISDBHSA-N 257.421 4.619 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCCC12CC2 2339243122 DIOVHELFDSSPHM-YFHUEUNASA-N 255.405 4.843 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cccc1Cl 2339571442 FYBWJMIOIBPWQL-BXUZGUMPSA-N 296.241 4.694 30 10 CJEE CCCCCCCCC[C@H](O)C[C@]1(C)CC=CCO1 2339714819 AGWYSYXXQCKZLK-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=C([C@@H](NCC)c1ccc(C)cc1SC)[Si](C)(C)C 2342390863 IREONNQMTNFGRY-MRXNPFEDSA-N 293.552 4.801 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2CCC(C)=C(C)C2)C1 2343394905 DCJYDFJRCLPKSH-QZTJIDSGSA-N 261.453 4.801 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1ccc2ccccc2c1C 2344378876 MYYGWYUQKFJOQF-KRWDZBQOSA-N 253.389 4.750 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1C[C@H]1C1CCCCC1 2344461048 XDVANZIOMASTSW-XSLAGTTESA-N 264.453 4.946 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc2cc(C)ccc2o1 2344467112 KJJQUDJPGIZHMZ-IRXDYDNUSA-N 258.361 4.767 30 10 CJEE C#CCCCC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2355382757 GAYHBXYIHNNRDN-CADBVGFASA-N 275.480 4.765 30 10 CJEE C=CCC(CC=C)O[C@@H](c1cccc(Cl)c1)[C@@H](N)CC 2360212328 FLLPTTRAUPQNDT-IRXDYDNUSA-N 293.838 4.656 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCC)[C@@H](C)CC1CC1 2360338374 URGWDXPNTCCTLO-SZMVWBNQSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC/C=C\CC[C@@H](OC)C(=O)O 8437434 IZQFBIOUXQEERU-BFFYNSAMSA-N 284.440 4.953 30 10 CJEE in-vitro N#Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl 11864129 TUELXUCMKKHSCZ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 34657624 PDWTWDAGBJNASB-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE C/C(=N\O)c1ccc2ccccc2c1OCc1ccsc1 36866935 HGPOPONCXDLEHK-LDADJPATSA-N 297.379 4.679 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1F 36973052 NYCSBXGMBHQDGL-VIFPVBQESA-N 292.716 4.663 30 10 CJEE O=C(Cc1ccc(C(F)(F)F)cc1)C1=CCCCCC1 50518258 DWTXEZRIQHTZDD-UHFFFAOYSA-N 282.305 4.708 30 10 CJEE Cc1c([C@@H](C)N[C@H]2CCC[C@@H]2C#N)sc2ccccc12 61892340 WFSYPROWJKTKFO-NFAWXSAZSA-N 284.428 4.553 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(C)(C)C)o2)cc1 77084679 YSSOCFCNHUQVIK-UHFFFAOYSA-N 253.345 4.619 30 10 CJEE Cc1ccc(C)c(SC[C@H](C#N)c2ccccc2)c1 80800694 VYJCLUHJJMULBG-INIZCTEOSA-N 267.397 4.703 30 10 CJEE C=CCCn1cc(C#N)c2cc(-c3ccccc3)ccc21 84865630 DHYDIQRCWPMNQT-UHFFFAOYSA-N 272.351 4.756 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)CC1 86954391 CJMOTGWJZVLOFT-HZPDHXFCSA-N 270.420 4.965 30 10 CJEE Cc1ccc(C)c(C[C@]2(C#N)CCCc3ccccc32)c1 87930058 RBRXUULHOVXSFW-FQEVSTJZSA-N 275.395 4.644 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C2(C#N)CCCCC2)CC1 91903425 KYCZLYLEMMPMFB-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634217 AXGHKWUYDQGEOV-IAQYHMDHSA-N 292.766 4.511 30 10 CJEE CCCCCCCn1c([C@H](N)CCC)nc2ccccc21 104066423 UFDUFADFIOLHOK-OAHLLOKOSA-N 287.451 4.807 30 10 CJEE CCCCCCCCNCc1cccc2cc[nH]c12 106267509 BMPKNNXGRVFPQP-UHFFFAOYSA-N 258.409 4.618 30 10 CJEE C#C[C@@H](C)Cc1c(OCCC)cc(C)c(Cl)c1C 107624957 QDTDPFDLXPOBFU-LLVKDONJSA-N 264.796 4.557 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1ccncc1 107681676 RVYGILZEMUQHLJ-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCCCCCCCO[C@@H](c1cccc(C)c1)[C@@H](C)N 109988917 IYSBYULYZUSXFN-SJLPKXTDSA-N 277.452 4.760 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccc(C)cc1C 110083877 DCPARJUUYHVRDT-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc([C@@H](C)O)c1 115858896 NKSZZRAHIHZOAX-OAHLLOKOSA-N 291.435 4.819 30 10 CJEE CCCCCCCCCCCC[C@H](N)C(=O)OC(C)(C)C 117842829 XNHKSUYENTXDPR-INIZCTEOSA-N 299.499 4.966 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C)c(Br)c1 125695550 BFKXKGSYHYULTQ-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccccc1Br 164540400 FAPGFIOYNOJIEP-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(OCC)CCCCCC1 164779135 QBDNZTBXIMJBAA-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccccc1C(C)(C)C 165305984 FEPKLASXJLHQKW-UHFFFAOYSA-N 278.399 4.776 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@@H](C)CO 167063774 FAVDVVKTWSSHQQ-DLBZAZTESA-N 271.489 4.514 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCC[C@H]1CN 226554146 GFRXKJXMOKYEJC-IRXDYDNUSA-N 281.484 4.851 30 10 CJEE CCCCCCCCCCN1CC[C@H](CC)N[C@H](C)CC1 227201050 BHMOVHYZBMBADI-MOPGFXCFSA-N 296.543 4.980 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@@H](SCC)C1 232936317 CCCGDTCRGBSBNF-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](OCC)C(C)(C)C 233603652 MTWGTLDBGWXMSP-HZPDHXFCSA-N 269.473 4.552 30 10 CJEE CC(C)Sc1ccc([C@@](C)(F)C#N)cc1Cl 260902937 RGOINCKLPGJYSZ-LBPRGKRZSA-N 257.761 4.549 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNC 300257951 REXAQWDVTJTKOH-ZACQAIPSSA-N 251.458 4.785 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCc2sc(Cl)cc21 310548085 FLKHZHAHXKKCCG-NSHDSACASA-N 269.841 4.581 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H]1CCC[C@@H](C)C1 311002748 NNFBMGYLKCOHJF-ZACQAIPSSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccnn1C(C)C 311478533 KFWULKVTSGOAHH-MRXNPFEDSA-N 266.429 4.638 30 10 CJEE C=CCCCCCCN[C@H]1CCCC[C@H]1C(F)(F)F 311993515 QJFBWYVNJMFRIP-KGLIPLIRSA-N 277.374 4.834 30 10 CJEE CCCCCCCCOCc1cccc2c1NCCC2 313049661 SIIAWPOWZHLGGQ-UHFFFAOYSA-N 275.436 4.922 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2cccc3ccccc23)C1 316680875 FHNVKEDHTKMGGV-DNVCBOLYSA-N 266.384 4.778 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1ccc(Cl)cc1Cl 317267727 PLTLJFJFMVJPFW-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C=CCSC[C@@H](NCCC)c1ccc2ccccc2c1 380020696 UABJFCUQPSPVBQ-GOSISDBHSA-N 285.456 4.800 30 10 CJEE SC[C@@H](COCCC1=CCCCC1)c1ccccc1 386271887 MIRXHDRGAYDQRD-QGZVFWFLSA-N 276.445 4.607 30 10 CJEE CC(C)C[C@@H](C)C[C@]1(C#N)CCCc2ccccc21 387618787 LNIZDRZTVRCJQK-QAPCUYQASA-N 255.405 4.857 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)CCc1ccc(OC(F)F)cc1 393771906 UMLCKJLEEZELIL-DZGCQCFKSA-N 297.389 4.553 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc2sccc2c1 395321819 UKFJRMFMNFLIBM-OAHLLOKOSA-N 276.449 4.766 30 10 CJEE N#CCc1c(Cl)cc(C(F)F)c2sccc12 396184805 CFUYCJIOKINZEH-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCC(C)(C)CNC[C@@H](C#N)C1CCCC1 397152728 ORWHWERYFSOFQM-MRXNPFEDSA-N 264.457 4.512 30 10 CJEE C[C@@H](NC[C@H](C#N)C1CCCCC1)C1CCCCCC1 397354061 ZNJYZLFVYFPVBD-QAPCUYQASA-N 276.468 4.655 30 10 CJEE CCCCCCC[C@H](C)NCCSCC(C)C 397461766 RHXCWXHIHQMCKP-HNNXBMFYSA-N 259.503 4.714 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 398050761 DGKIFNFOEVMVPW-NSHDSACASA-N 282.309 4.734 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)C12CC3CC(CC(C3)C1)C2 398089800 XCSPPKQZKCSTGP-NTIGLHRHSA-N 275.480 4.926 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](O)CC[C@H]1C 399396426 FMFGNAMFIPLMHL-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C[C@@H](C)C(C)(C)C)C1 399682481 KALISJRYNQNLJU-QBPKDAKJSA-N 278.484 4.709 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2cccc(Cl)c2)c(Cl)c1 404752095 MOWBPXNILDDOLL-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1F 587916181 DZUSEKWIVXDRNC-UHFFFAOYSA-N 295.140 4.541 30 10 CJEE C#CCCCCC[C@H](N)c1cccc(C(C)(C)C)c1 686689534 KUBDGKDAFLKGFL-KRWDZBQOSA-N 257.421 4.568 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCCC12CC2 686691741 QWYHDHSTLXBBCO-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@@H](NCC)c1scc(C)c1Cl 686699569 DVHWSBYSMNLSHQ-CYBMUJFWSA-N 283.868 4.944 30 10 CJEE CC1(C)CCCC[C@@H]1/N=C1/NC2(CCCCC2)CCS1 687319680 GGXDBYUQFOYUTL-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@H](O)Cc1ccsc1Cl 687853884 QGTQYHDCOATJFY-LBPRGKRZSA-N 260.830 4.665 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)cc1F 692234957 NCXHSXGSUKNWGS-OGHNNQOOSA-N 279.374 4.750 30 10 CJEE C[C@H](CCC#N)Nc1cccc(Oc2ccccc2)c1 695790828 KLXIADYUUTZKAY-CQSZACIVSA-N 266.344 4.583 30 10 CJEE C=CC[C@@H](CCCOC1CCCCC1)CNCC(C)C 699827627 DVKMAMKDWJNWPC-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1nc(C)cs1 701950966 NKWRBNOCPZYZSZ-GFCCVEGCSA-N 290.457 4.903 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(C)[nH]c1C 705706602 UQMOUXDGCXSCSO-MRXNPFEDSA-N 251.414 4.806 30 10 CJEE C=CC(C)(C)CCNC[C@H]1CCC[C@@H](C(F)(F)F)C1 713009594 UFATYUSDFAAKDV-QWHCGFSZSA-N 277.374 4.547 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1CCC[C@@H](C(F)(F)F)C1 713063077 WRKWOFVERGPYMA-UONOGXRCSA-N 291.401 4.937 30 10 CJEE C=CC[C@@H](C)Nc1cc(F)c(Br)c(Cl)c1 715038132 GNYATLOHNACQHJ-SSDOTTSWSA-N 292.579 4.618 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H](CC)CC(F)(F)F 715706499 SFUFHHJMMMGPJP-AVGNSLFASA-N 265.363 4.545 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C12CC3CC(CC(C3)C1)C2 715748782 KESKUKZGXJPCQR-UXJMZZSFSA-N 275.480 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(Cl)c1C 715769711 OWIMGUBAQVQMAC-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE CCC[C@@H]1CCS/C(=N/CCCC2CCCCC2)N1 716824800 WRTRHTXDFJHNKF-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)C1C[C@H](C)C[C@@H](C)C1 719376047 FCEXNHLGWYFDOF-CKEIUWERSA-N 271.404 4.683 30 10 CJEE C=C(C)CCOCc1cccc(Cl)c1Br 719498333 NRXXERNLXQXCJU-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(Cl)cc2OC)CC1 724574491 DGBYTQGNEOANCU-INIZCTEOSA-N 293.838 4.746 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCCC[C@@H]2C)C1 821942662 NYXDKCRHDWXRPT-YYWYGQEZSA-N 276.468 4.605 30 10 CJEE CCCCc1ccc(N=Cc2ccc(N3CCCC3)o2)cc1 1084432048 ZXYVINKDLHNHDW-UHFFFAOYSA-N 296.414 4.973 30 10 CJEE Fc1ccc(N=Cc2cccc(Cl)c2Cl)cc1 1084652642 PQVZGJYWBQPJGG-UHFFFAOYSA-N 268.118 4.883 30 10 CJEE C=CCCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl 1181409906 HAIRVNHMNDEMBS-GDBMZVCRSA-N 263.812 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCCC1(C#N)CCC1 1196058006 VAUUWJRYKXNEDF-IAGOWNOFSA-N 274.452 4.575 30 10 CJEE C=CCCCCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C 1197421143 KKPSCYTVEJWMAI-OAHLLOKOSA-N 293.401 4.889 30 10 CJEE C=CCC1(CN[C@H]2CCC[C@H](C3CC3)C2)CCCC1 1205788592 CZDWAFOQFDVKEJ-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C#CCCCCCCNc1nc2ccccc2n1C(C)C 1207872424 CVWWZYVTXZTIQA-UHFFFAOYSA-N 283.419 4.613 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC[C@H]2C(C)C)c1 1220335320 RQLMAZPFFWNJJH-KRWDZBQOSA-N 286.419 4.762 30 10 CJEE C=C[C@@H](CC(=O)NCC1CCC(C)(C)CC1)c1ccccc1 1267336867 WDNLBRGYBOLRJK-KRWDZBQOSA-N 299.458 4.679 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCc2cc(C)cc(Cl)c21 1275349051 KEQWHYRFHOWIJA-CYBMUJFWSA-N 291.822 4.530 30 10 CJEE C=CCCCCCSc1ccc(C(C)=O)cc1OC 1307322481 OCGFYXUQFOCWMZ-UHFFFAOYSA-N 278.417 4.736 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CCCC[C@@H]2CCC)c1 1308245055 UABJPGXJFFZMAG-PKOBYXMFSA-N 287.447 4.700 30 10 CJEE C=CCN(Cc1cccs1)C[C@H]1CCc2ccccc2C1 1308657086 OAYYULCCWJBDJJ-INIZCTEOSA-N 297.467 4.541 30 10 CJEE C=CCC(CC=C)C(=O)Oc1ccc(C(C)(C)C)cc1C 1350546661 VFPDIOVPDBDWLK-UHFFFAOYSA-N 286.415 4.966 30 10 CJEE C=CC[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ccccc1 1435400398 CTGCODGNZJBCBT-RYQLBKOJSA-N 299.458 4.677 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@H](C)c1cccc(Cl)c1F 1435792355 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30 10 CJEE CCCCCCCC[C@](C)(Oc1ccccc1)C(=O)O 2240616641 UFPQOWZYWATHMT-KRWDZBQOSA-N 278.392 4.659 30 10 CJEE C[C@@H]1CC[C@H](CSC[C@@H](CS)C(C)(C)C)C1 2243691302 FPKAFTJKSOUYDO-FRRDWIJNSA-N 260.512 4.748 30 10 CJEE C=C[C@@H](C)C[C@@H](N)c1cc(Cl)c(Cl)cc1C 2243864681 PVLVOUWZZRSKOU-AMIZOPFISA-N 258.192 4.514 30 10 CJEE Brc1cccc(C#CCC2=CCCCC2)c1 2246281297 LCTYGKLDYVTDHA-UHFFFAOYSA-N 275.189 4.691 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOCCCCCCCS 2252618591 KAKCAGXIODMKTP-CABCVRRESA-N 258.471 4.710 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)CCC(C)(C)C 2256741331 HXGGVLOBWGUWSN-QGZVFWFLSA-N 250.426 4.560 30 10 CJEE COCCCCCC[C@@]1(C#N)CCCCC1(C)C 2259306689 SNQIYNNXVZVCJD-INIZCTEOSA-N 251.414 4.693 30 10 CJEE CC1CC2(C1)CC(S[C@H]1C[C@H](C)CC[C@@H]1C#N)C2 2260475521 RXWNPYJJNJTTDQ-DJTWBNBTSA-N 263.450 4.627 30 10 CJEE CCCCCCCCN(C)C[C@@]12CCC[C@@H]1CC2 2260565959 MHLYMXRIXABWKZ-SJORKVTESA-N 251.458 4.859 30 10 CJEE O[C@@H](CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2261167698 LGOUIMCYJOGTDE-HNNXBMFYSA-N 283.198 4.611 30 10 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285.516 4.902 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1NC[C@H](C2CC2)CS1 2287887006 XBASVMVHTBMWIZ-ZBFHGGJFSA-N 296.524 4.558 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H](CC(C)C)C(C)C 2289672021 MRGOIZZJXNQRSW-MOPGFXCFSA-N 277.496 4.867 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1C[C@H]2CCCCCC[C@H]21 2289768720 UGXGCZNDTGEFKW-KZNAEPCWSA-N 272.432 4.746 30 10 CJEE C=CC[C@H](C)O[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2290219831 MDFOHVUCYGREFV-JYJNAYRXSA-N 281.484 4.551 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)C=CC[C@@H](CC)C1 2290899056 CRGHFXOHYZMDKU-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC(OCCC(=O)O)(C(C)C)C(C)C 2290915564 RYBUPQBXAUKJOV-UHFFFAOYSA-N 286.456 4.889 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@H]1CC(C)C 2291799880 STQWJKRWUJZFCW-RDJZCZTQSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)[C@@H](C)C(C)(C)C 2292418070 OGZVDNVDEPHPSA-CABCVRRESA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@H](C[C@]12CCC[C@H]1CC2)OCCN 2292795372 HAWCDRHONNUMSI-RCCFBDPRSA-N 281.484 4.661 30 10 CJEE C=C(C)CC[C@]1(OCCCN)CCC2(CCCCC2)C1 2292903613 RHOAUUJFVOQNBE-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@H]1CCC[C@H](CC)C1 2293283033 IYFPCYUXDXXQTE-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)C[C@H](C)CC(C)(C)C1 2293880560 AOHJKGHRQUUWDA-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)C1CCCC1 2293993802 GVCIJTFTEUAMPO-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CN(Cc1ccsc1C#N)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2294725655 UTFOWIPHVCKMJE-HUUCEWRRSA-N 290.476 4.656 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnc(C2CC2)o1 2295603824 QMTQSHLVNBZUKP-QGZVFWFLSA-N 279.424 4.900 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCCC1CC1 2295677958 FKCOIAWHYCIQFI-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE Cc1ccc(C(=O)C=CNc2ccc(C)c(Cl)c2)cc1 2297534670 JORHKRFQYRPHSV-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CCC(CC=C)SCc1ccc(Cl)cc1N 2298821967 QELKHLVJTMQCSC-UHFFFAOYSA-N 267.825 4.676 30 10 CJEE C=C1CC(CC(=O)c2c(Cl)cc(C)cc2Cl)C1 2307641401 FYJQBEHMSSUGCM-UHFFFAOYSA-N 269.171 4.841 30 10 CJEE C=CCCCCCCCCCSCC1CC(N)C1 2316776878 HPNLOYFUNYWMBM-UHFFFAOYSA-N 269.498 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C)(C)C(F)F)NCC 2321141575 PCHBMDDJJZVZOD-SWLSCSKDSA-N 261.400 4.638 30 10 CJEE CSc1cc(SCC[C@H](C)C(F)F)ccc1C#N 2328534211 GEMWKNNQDJFAQX-VIFPVBQESA-N 287.400 4.664 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329798062 FESLYMMPWKQHJO-YUELXQCFSA-N 268.347 4.518 30 10 CJEE CCOc1ccc(C(CC)=NOCc2ccc(C)cc2)cc1 2330267377 FDWFAOVMPMNQPT-UHFFFAOYSA-N 297.398 4.725 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@]2(C(C)C)C[C@@H]12 2331014333 QHAQEPARPPNPCZ-FPSMNIFISA-N 261.453 4.536 30 10 CJEE CCCCCCCCC[C@@]1(N)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2332261311 UCWRGIKLXHXAIK-DISONHOPSA-N 263.469 4.891 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1C[C@H]2F 2333365430 LKSLFRFGQWJOIG-NXOAAHMSSA-N 268.416 4.792 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CC[C@H]1C(F)(F)F 2333706615 RODBRWXHYBNQEG-MGPQQGTHSA-N 278.358 4.853 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1CCC)OCCN 2335028187 PNRDPLPCRCQPSE-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cccc(C)c1 2335098829 ORTALMRKXGTUPF-NVXWUHKLSA-N 277.477 4.734 30 10 CJEE CCCCCCCN(C)c1nc(Cl)nc2cscc12 2335923637 XAVZEZCQIGYUJG-UHFFFAOYSA-N 297.855 4.751 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc(C(F)F)cs1 2337419337 IEDDSDRWPKWJLH-CYBMUJFWSA-N 283.387 4.530 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)C[C@H]2CC[C@H]1C2 2339242077 CUHZILKSIAOJBL-NWCWSAAOSA-N 255.405 4.699 30 10 CJEE C=C(C)CCCCN[C@H](C)c1ccc(F)c(C)c1C 2341087475 PGRJNYITLBZUBR-OAHLLOKOSA-N 263.400 4.840 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cccc(C2CCC2)c1 2343778414 YIHJBDFEMSDEOG-KSSFIOAISA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@@H](F)C1)NCCC 2344337196 ORZUDYHFDQCFLI-YVSFHVDLSA-N 269.448 4.875 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1nc(C)cc2sccc12 2344343332 OEHXHJRVWCDNBP-HZPDHXFCSA-N 274.433 4.597 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC1(c2ccccc2)CC1 2344374228 GXTQIFJJZPGNMJ-KRWDZBQOSA-N 256.389 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C(F)(F)F)cc1 2344468855 QWCSAWNDMXLHRY-ZIAGYGMSSA-N 272.310 4.731 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)C1CCC2(CC1)CC2 2352095253 GLZZZPMGDIFDPF-MRXNPFEDSA-N 283.525 4.623 30 10 CJEE C=CCCCC[C@H](NCCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352755638 BVIJNEPPDYDSBV-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C#N)c(SC)c2)C1 2353823643 DETRNJWVPDUTIJ-OCCSQVGLSA-N 275.417 4.628 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2355393218 SBTSXCINGNFOBJ-FQLMCAECSA-N 284.390 4.843 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@@H](C)CC1CC1 2360326832 JMRDLVQLZXHOAZ-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)CCC1CCCCC1 37344248 BKPXWFDOGMULTB-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE Cc1ccc(N[C@H](C#N)c2cccc3ccccc23)cc1 37935569 WKJDKEYJZKMSDQ-LJQANCHMSA-N 272.351 4.825 30 10 CJEE C=CCCCCCCCCCN1C(=O)c2ccccc2C1=O 44367072 XOINLYWSOHEMFG-UHFFFAOYSA-N 299.414 4.589 30 10 CJEE CCCCCCC[C@@H](C)NCCc1ccc(OC)cc1 59089782 JBQDLSRBRSHLPO-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(COC)c1 59419292 VDCVZKIFUFCWAE-HNNXBMFYSA-N 263.425 4.994 30 10 CJEE CCCCCCCN[C@@H](C)c1ccc(F)c(F)c1 59423092 VRSMMSNVTBVFTR-LBPRGKRZSA-N 255.352 4.586 30 10 CJEE SCc1cnc(-c2ccc(Cl)cc2Cl)s1 82417579 TYRGNDBOVMWRLI-UHFFFAOYSA-N 276.213 4.547 30 10 CJEE C[C@@H](CS)CSc1ccc(C(C)(C)C)cc1 87096653 MEJABZLFLWKLMH-NSHDSACASA-N 254.464 4.642 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 87930559 BBCBMBSUCQXKAB-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2c(C)cc(C#N)cc2C)C1 88154683 AUPTXEWDKRLXQL-GDBMZVCRSA-N 257.377 4.523 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](O)(C2(C#N)CCCCC2)CC1 91903534 SVSKEFKNLGUAHR-CRAIPNDOSA-N 277.452 4.818 30 10 CJEE CCCCCCCn1nc(C)c([C@@H](CC)NCC)c1C 108043468 HHJSZWPFLBASHX-MRXNPFEDSA-N 279.472 4.531 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccccc1Br 109743179 VMKDNHRIEDRKKP-CQSZACIVSA-N 298.268 4.679 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)COC 110154570 TWCMPMMODTWZLE-INIZCTEOSA-N 257.462 4.532 30 10 CJEE Cc1ccc(Cl)c(Oc2ccc(C#N)c(Cl)c2)c1 110262537 ZYKPEKYOXUYBPY-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(C)CCC(C)C)C1 110263832 IBZFBIDPSYNMOA-YESZJQIVSA-N 278.484 4.709 30 10 CJEE CCCCCCCC[C@@H](CC(F)(F)F)NCC 110442052 QUNUHDOZDJPOTQ-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@@H]1C1CC1 114061845 ALQCHKMHCIYNQW-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCCc1noc(N)c1C 115063812 ZSOHZGVHEQCDDT-UHFFFAOYSA-N 252.402 4.639 30 10 CJEE CCCCCCCCCCN1CCCN[C@@H](C(C)(C)C)C1 115264225 VTNVFKBLEWDTQP-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](O)C12CCCCCC2 117306230 FVJRNDABADLBRU-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE C[C@H]1C[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1C 122404082 YMUJXKBCFIOPQZ-MDZLAQPJSA-N 297.320 4.781 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(CCC)cc1 123033391 GNGNZPDTVIOUBF-SFHVURJKSA-N 276.468 4.894 30 10 CJEE CCCCCCC[C@@H](CCC(F)(F)F)NCC 125039398 JMMVCOFLMXCYDV-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(F)cc2C#N)s1 126213299 IWXRLYRXNJXGNS-UHFFFAOYSA-N 288.391 4.668 30 10 CJEE CCCCCCCCC[C@H](O)CCc1ccncc1 135350157 UPPHWCYHDNWGOO-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C)CCCS1 135355210 MAHYLEVUZJCHTR-GJZGRUSLSA-N 258.471 4.774 30 10 CJEE CCCCCCCC[C@H](CCCOCC)NCC 140301680 MJAWNXNSUYZVIS-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCC[C@H](N)c1cncs1 147536955 BOLURYLNHJAVQJ-ZDUSSCGKSA-N 254.443 4.674 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)NCCC)nc1 149077422 DKRWEEWOIUPPOS-MRXNPFEDSA-N 292.467 4.882 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(F)c(F)c2)C1 149825256 WUCVYEKXRCTIRW-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE CCCCCCCCCCCCn1cnc(C#N)c1C#N 163385532 RWTMEYRFCKCLJG-UHFFFAOYSA-N 286.423 4.547 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)c2)C1 164432667 DEHOQGWVZRLRKP-DGCLKSJQSA-N 296.336 4.592 30 10 CJEE CCCCCCCCC[C@@H](NC)c1nccn1CCC 165910336 MKHWEHQCWXECKC-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1F 166857790 IYXHQJUVAQNPFI-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1OC(C)C 185835211 AEQLVYLZZFZADU-GFCCVEGCSA-N 295.810 4.668 30 10 CJEE Cc1cc(C#N)cc(C)c1OCCCCc1ccccc1 228444489 KQGOLNLKQIHXGF-UHFFFAOYSA-N 279.383 4.577 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCCCCCS)C2 229002290 MFWHJOQSEDQNLV-DZKIICNBSA-N 270.482 4.708 30 10 CJEE Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCC(C)(C)CCC#N 229686519 RHJCVJRWOKLRCY-HNNXBMFYSA-N 288.435 4.521 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)cc(Cl)c1 229753339 BHQMPPIUNVCTCX-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)C1 231003922 DJUGRIPABLGKRH-BBRMVZONSA-N 276.811 4.860 30 10 CJEE N#Cc1cc(F)cc(Nc2cc(Cl)c(F)c(Cl)c2)c1 232039713 XWVLVRBYYJJWKB-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCC(=O)c1c(C)cc(F)cc1C 232936095 CGTIRRVXVIBGAN-UHFFFAOYSA-N 250.357 4.986 30 10 CJEE C=CCCCCC[C@@H](CSCC(C)C)NCCC 233124170 SSXVFPIDDOQIJX-INIZCTEOSA-N 271.514 4.880 30 10 CJEE C=CCCCCC[C@H](NCC)c1snnc1C(C)(C)C 233547938 JCYBOHJESJSVEN-ZDUSSCGKSA-N 295.496 4.623 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2ncccc2c1 234464939 CCCQYQBTPLNUEX-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc(Cl)ccc2Cl)CC1 235617464 JCTSJBFCUDWIOM-SECBINFHSA-N 269.171 4.923 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 248927703 YXDMREDDSAGMAP-ZVZYQTTQSA-N 297.442 4.913 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1C)c1c(Cl)cccc1Cl 251086112 NJHCZFIVSYMQGP-KBVBSXBZSA-N 259.176 4.664 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 252104701 IUCCVZJDNSFOKJ-YABSGUDNSA-N 297.320 4.781 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cncc(Cl)c1 307948643 BZBGKKPASQZAGZ-MRXNPFEDSA-N 297.874 4.770 30 10 CJEE C=CCCCCCCN[C@@H](c1cccs1)C1CC1 310619196 GLOLMPMYIRDLLD-MRXNPFEDSA-N 263.450 4.925 30 10 CJEE CCCC1CCC(C#N)(C(O)(C(C)C)C(C)C)CC1 311970970 JWDAYGSNYOPXIO-UHFFFAOYSA-N 265.441 4.530 30 10 CJEE O=CC1(CCc2ccsc2)CCCCCCC1 316690792 BAJCIGAAWYDCRV-UHFFFAOYSA-N 250.407 4.610 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CCCC(F)(F)C2)C1 316998341 NYPKGSRIFSTMRA-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@@H]2CSc3ccccc32)C1 317090755 DKFIMQUNKZMJBQ-CPUCHLNUSA-N 274.429 4.661 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CCCC[C@H]1C 318084620 JWGDFDZTIWEGSF-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(OC(F)(F)F)c1 380269076 WNDSOBYMLLJSIP-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1CCCC1(F)F 381950657 SCQFUDZCJBBKFO-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C=CCS[C@@H]1CCCCCCCCCC[C@@H]1N 383170745 NSOQWHBBCGTLTR-LSDHHAIUSA-N 255.471 4.516 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccnc2cc(Cl)ccc12 385065870 VFJJCEBMMBPLII-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CC(C)C(C/N=C1/N[C@@H](C2CCCCC2)CS1)C(C)C 386087304 FDPZWYVWLJEGGU-MRXNPFEDSA-N 296.524 4.556 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(C)cc1Cl 387617791 PNHYIAHQOBKSCD-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C#N)c2ccccc12 398102861 UKMRCCOSZDKTJK-AWEZNQCLSA-N 264.372 4.868 30 10 CJEE CCCCCCCCC(=O)C(C)(C)NC(=O)OC(C)(C)C 405633976 BWCSISHWBABLTK-UHFFFAOYSA-N 299.455 4.609 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CO[C@H](C)[C@H]1C 405711956 BSPUQPFZKJSPAX-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2sccc2C)o1 539271735 AXQTYVXCVDJRIT-LLVKDONJSA-N 294.445 4.943 30 10 CJEE C#CCCCCCC(=O)c1cccc(Cl)c1Cl 686698188 ZVFXWFQCMGEXDM-UHFFFAOYSA-N 269.171 4.760 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCCC(F)F)C1 688770393 JTFXXNIZXWEAPE-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE Cc1c(Nc2cccc(C#N)c2)cccc1C(F)(F)F 689684862 LPAGGKGVIKCNSZ-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc(SC(F)F)c1 690185289 QIGCUIYYCJHXQH-RISCZKNCSA-N 296.386 4.886 30 10 CJEE CCCCCCCCCCN(CCCO)C(C)(C)C 690918701 PUHZOWJAYWQQHN-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(C#N)c(F)c1 691139354 XOQULSDFPFEXAD-NVXWUHKLSA-N 274.383 4.714 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(F)c(C#N)c1 691181628 XOTJRRNBSBTBPV-NVXWUHKLSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)c1cccs1 692254924 PSRNFOLFYKUOPZ-KFWWJZLASA-N 263.450 4.924 30 10 CJEE CCC(C)(C)[C@H](C)Nc1cccc(SC)c1C#N 695153419 NWXXIQGVWXAXNZ-NSHDSACASA-N 262.422 4.517 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc(CCC)cc1 696031890 ACKKLDKEDXWOMV-HNNXBMFYSA-N 277.477 4.599 30 10 CJEE CCSc1cccc(N2CCCC[C@@H](CC)C2)c1C#N 703201741 YRXCRYACVSUCGW-CQSZACIVSA-N 288.460 4.687 30 10 CJEE Cc1cccc(N[C@H](C#N)c2csc(C(F)(F)F)c2)c1 703314546 ZHJLKMXWCYJDHY-GFCCVEGCSA-N 296.317 4.752 30 10 CJEE CCCCCCCNc1cccc(SC)c1C#N 703707787 FNIGDSRGFWRACV-UHFFFAOYSA-N 262.422 4.662 30 10 CJEE CCCCCCCn1c(S)nc2ccc(C)cc21 705837693 FJEWEVRIYGDZNN-UHFFFAOYSA-N 262.422 4.604 30 10 CJEE C=C(Cl)C[C@@H](NCC)C1(c2ccccc2)CCCC1 710473162 BXBKTIVAQMWSQY-MRXNPFEDSA-N 277.839 4.619 30 10 CJEE Cc1ccc(N[C@H](C2CCCC2)C2CCC2)c(C#N)c1 711843121 JRUSDSFZDFPBSQ-GOSISDBHSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC(=O)[C@H](C)[C@@H]1CCCCO1 711907256 IVSVYJNZFMUYAT-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)C)CCC[C@H](CC)C1 715827085 FVDIXOOMGZNFTM-YESZJQIVSA-N 251.458 4.783 30 10 CJEE CC(C)(C)C1CCC(C=O)(C[C@H]2CCCS2)CC1 715844456 VRFQOBNNEVQCPV-NPCAHTBFSA-N 268.466 4.694 30 10 CJEE CCCCCCCc1nc(C(C)(C)C)c(C(=O)O)s1 720997234 DUAMODPVJGQXQZ-UHFFFAOYSA-N 283.437 4.652 30 10 CJEE C=C1CCC(C[C@H](Cc2ccccc2Cl)NCC)CC1 724575454 MUKGTMRUGSOXJW-QGZVFWFLSA-N 291.866 4.997 30 10 CJEE C=CCCO/N=C(\CC)c1ccc(C(C)(C)C)cc1 821221629 WXYCTIXBKOIYJN-FBMGVBCBSA-N 259.393 4.691 30 10 CJEE Cc1ccc(CO/N=C(/c2ccc(F)c(C)c2)C2CC2)cc1 821234108 PWVRPPSCTRTDCH-XUTLUUPISA-N 297.373 4.773 30 10 CJEE CC(C)(CC(F)(F)F)C[C@]1(C#N)CCCC(C)(C)C1=O 822146388 IOWFDAMECXWVRT-AWEZNQCLSA-N 289.341 4.644 30 10 CJEE COc1ccc(OC)c(N=Cc2ccc3ccccc3c2)c1 1083916324 MSTHOQZNCPIJBM-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)CC)cc1 1128597785 CXDHNCVGGOYRMR-QGZVFWFLSA-N 285.431 4.555 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(F)c(C)cc1F 1129580543 NVWYAJJDSRXUGR-UHFFFAOYSA-N 295.373 4.530 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@H](CC)CC1CCCC1 1134515202 ONUKJJIYGJWKNI-SJORKVTESA-N 277.452 4.550 30 10 CJEE C=C(CC)CN[C@@H](C)c1cccc(OCc2ccccc2)c1 1169962295 HFHPPHYKJHCRMJ-KRWDZBQOSA-N 295.426 4.882 30 10 CJEE C=CCC1(CNCc2cccc(C(F)(F)F)c2)CCCC1 1202380345 DPXUWCOAEXYCMF-UHFFFAOYSA-N 297.364 4.932 30 10 CJEE C=CCCC1(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)CCCC1 1206656405 LNXSWPNGNFNRCA-DLBZAZTESA-N 293.495 4.695 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cc2ccccc2s1 1269306827 BVWNXUYAGGTWJK-LBPRGKRZSA-N 287.428 4.681 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@@H](CCC)CC(C)C 1349893600 IRUIJBWJMFRGLB-SFHVURJKSA-N 287.447 4.664 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCCC[C@@H]1c1ccccc1 1357712901 XINAKMFLOUCYCC-QGZVFWFLSA-N 285.431 4.733 30 10 CJEE C=CCOc1ccc(OC(=O)C=C(CCC)CCC)cc1 1360863248 OBPNJRWMZRHDAW-UHFFFAOYSA-N 288.387 4.683 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CCCC1 1437639856 PPLVPTDMCYPKET-DLBZAZTESA-N 291.479 4.846 30 10 CJEE C=CCCC1(CNC(=O)[C@H]2CCCC[C@H]2CC)CCCC1 1437639879 PPLVPTDMCYPKET-SJORKVTESA-N 291.479 4.846 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 1469616072 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30 10 CJEE CC1(C)CCC[C@@](C#N)(CCCOCC2CC2)CC1 2128317745 RGTRYMRPRPASTE-QGZVFWFLSA-N 263.425 4.693 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCOC1(C)C 2130447158 MGQDOYHZIVFMIR-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CC[C@@H]1CC=C(C(=O)[C@@]2(C)CCCC(F)(F)C2)CC1 2132123297 OGUFUILJAHDXRW-DOMZBBRYSA-N 270.363 4.908 30 10 CJEE CCCCC#CC[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2138954329 KIESJKRHQGTVFV-KSZLIROESA-N 262.437 4.538 30 10 CJEE CCCCC#CC[C@@H](O)C1CCC(CCCC)CC1 2138955941 GAGUYHMARTYOEF-DAWZGUTISA-N 264.453 4.928 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1cc(C)oc1C 2138983911 JXORHWBLPSKQJH-QGZVFWFLSA-N 261.409 4.521 30 10 CJEE CCCCCC#CC[C@@H](N)c1cc(Cl)c(F)cc1F 2139003399 SYHDHYQBABNENR-OAHLLOKOSA-N 285.765 4.592 30 10 CJEE CCCCCCCC[C@H](N)c1nnc(C2CCC2)s1 2140068895 VRUIKEGXEHIUPY-ZDUSSCGKSA-N 281.469 4.556 30 10 CJEE CCC(C#N)(CC)[C@@H](O)c1ccc(-c2cccs2)s1 2140966680 DVSMRAKVILTREO-AWEZNQCLSA-N 291.441 4.840 30 10 CJEE C=CCCCCCCN(C)C[C@@H](C)c1ccccc1 2141921763 CKROPQGPMYGELF-QGZVFWFLSA-N 259.437 4.858 30 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CC[C@@H]1NC(=N[C@@H]2CCCC3(CCCC3)C2)S[C@H]1CC 2151826012 NSBBMWWDZRFIGR-ILXRZTDVSA-N 294.508 4.739 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H]1CC(C)(C)Oc2ccccc21 2152863988 GXJCEIIKYFGCEW-GDBMZVCRSA-N 273.420 4.623 30 10 CJEE CCCCCCCO[C@@]1(C(=O)O)CCCCC12CCC2 2153479584 RMCCCEFOSZGOMT-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OC)c(O)c1 2154602251 LENQGEINLKNRCW-HNNXBMFYSA-N 279.424 4.541 30 10 CJEE CCCCCCCC[C@@]1(CNCC)C[C@H](OC)C1(C)C 2156664115 BQKASMVXYSQYDY-WMZOPIPTSA-N 283.500 4.778 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)C[C@@]12CCOC2 2156715663 PPZPQOAXEGIKLX-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE C=CCC[C@@H](C)[C@H](O)c1ccc(-c2ccc(F)cc2)o1 2158316578 PWMRNNZCHNSZII-PXAZEXFGSA-N 274.335 4.721 30 10 CJEE CC[C@H]1CCC[C@@H](CNc2cc(C)ccc2C#N)CC1 2159511361 ZKRNMEREPCNIFT-JKSUJKDBSA-N 270.420 4.885 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cnc(C)nc1 2164008965 NJNMWUCLHNNICY-KRWDZBQOSA-N 277.456 4.576 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccc(COC)cc1 2164181462 BOUAMGIVLIDACD-GOSISDBHSA-N 275.436 4.620 30 10 CJEE CCCCCCCCCCc1nc2ccc(O)cc2[nH]1 2164496602 LOSUGLBNPDVYHQ-UHFFFAOYSA-N 274.408 4.952 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCOCC[C@@H]1CC 2165349099 OLPFRNJSJULKFA-GJZGRUSLSA-N 291.460 4.582 30 10 CJEE C#CCCCCC[C@H](NCCC)C1[C@H]2CCCCC[C@H]12 2167246302 VHEYXGPJMVLOHS-BZSNNMDCSA-N 275.480 4.765 30 10 CJEE N#C[C@@]1(C[C@@H](O)c2ccc(Cl)cc2)CCCC12CCC2 2169738086 WMUVSNNSEKVXGB-WBVHZDCISA-N 289.806 4.628 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1ccc(Cl)c(F)c1 2173629621 PIAVBDVYRRLVDB-GOEBONIOSA-N 295.785 4.623 30 10 CJEE CC1(C)CCCC[C@]1(C=O)Cc1cc2ncccc2s1 2173660761 SWEQZLQETOVLBF-QGZVFWFLSA-N 287.428 4.624 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CC[C@@H](OCC)C1 2174833111 QNLXFUZKWYWERC-KSZLIROESA-N 283.500 4.920 30 10 CJEE CC(C)C[C@H]1CNC(=NCC2CCC(C)(C)CC2)SC1 2177252910 FQGXYRVSRIAPEX-HNNXBMFYSA-N 296.524 4.558 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]1(O)CCC=C1CC 2179179003 FPFFISNIPXGBIE-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE C=CCCCC[C@@H](Cc1ccc2ccccc2c1)NC 2179678731 FEEWQUGPZMKSTA-IBGZPJMESA-N 267.416 4.717 30 10 CJEE C=CCCCCC(=O)c1ccc(OC)c2ccccc12 2179682572 XQZLBWCRFAHDRX-UHFFFAOYSA-N 268.356 4.778 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C1=CC[C@@H](C)CC1 2181259145 GRLDMNMDSMOZPM-NVXWUHKLSA-N 280.452 4.804 30 10 CJEE C=C1CC(C[C@H](NCC)[C@@H]2C[C@H]3CCCCCC[C@H]32)C1 2182168551 CXZXSNAJPMQQLQ-MKXGPGLRSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](NCC)c1ncnc2ccsc12 2183774108 KDAUPDLEZKYQGB-CYBMUJFWSA-N 291.464 4.702 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(Cl)c(F)cc2C#N)cc1 2184457124 ZSVQVLPDOSUJGV-NSHDSACASA-N 288.753 4.832 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@](C)(O)[C@@H]2CCC2(C)C)CC1 2188544275 YUPRFCRINKVPKY-JLSDUUJJSA-N 277.452 4.674 30 10 CJEE CCc1ccc(C#N)c(Nc2ccc(C(C)C)cc2)c1 2188843589 ACNXINQVOQNVCP-UHFFFAOYSA-N 264.372 4.988 30 10 CJEE C=CC1(CN[C@H]2c3ccccc3CC[C@H]2C)CCCC1 2189508107 FJRSKJDLZXVEIO-CRAIPNDOSA-N 269.432 4.646 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCOC12CCCC2 2190309416 VBIHKAYEYVTFLK-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCC1CCC(C[C@]2(C#N)CCOCC2(C)C)CC1 2193059894 LOXRCFGIVHLBAJ-HTWSVDAQSA-N 277.452 4.939 30 10 CJEE C=CCOc1ccccc1CN[C@@H](CC)CCCCC 2193574749 OTTXZVSOUQZKHI-KRWDZBQOSA-N 275.436 4.700 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]12CCOC[C@@H]1C2 2194442021 CFSUQVDTQKPZNH-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CC(C)CC[C@H](C)N(Cc1ccc(C#N)cc1)C(C)C 2196040544 YXYRBRZDDLLPCK-INIZCTEOSA-N 272.436 4.593 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccc(F)c(F)c1 2196173961 IWOSBCOCNCVIDH-KRWDZBQOSA-N 279.374 4.589 30 10 CJEE CC#CCCCC[C@H](NCC)C(C1CCC1)C1CCC1 2196174078 KGUVNBFXGGVLGP-SFHVURJKSA-N 275.480 4.765 30 10 CJEE C=C1CCC(C[C@@](C)(O)c2cc3ccccc3o2)CC1 2196503754 MIEXPOFWJWEOFR-GOSISDBHSA-N 270.372 4.777 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)C1CCC(F)CC1 2197140479 UMTQNJOYGVOWGD-DAWZGUTISA-N 275.411 4.596 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2197150549 MHCOUOKEODBAAX-FCGDIQPGSA-N 269.432 4.504 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@@H]1C1CCOCC1 2199988620 LJQDCICSGOUFIV-SQNIBIBYSA-N 282.468 4.551 30 10 CJEE CC1(C)C[C@](C#N)(C[C@H]2C[C@@H]2C2CCCCC2)CCO1 2200504225 YZJJNMHYZDSBQH-JFIYKMOQSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCCN[C@@]12CC[C@@](CC)(C1)OC2 2201819067 OGSCOCBRBCELRC-ROUUACIJSA-N 281.484 4.818 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(C)cc(C)c1C 2203080162 HTVGQSVCMUBDCS-GOSISDBHSA-N 271.448 4.702 30 10 CJEE CCCCC#CC[C@@H](NC)[C@@H](c1ccccc1)C(C)C 2203832006 HFYNMOYMVJGWMH-RTBURBONSA-N 271.448 4.598 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2(P(C)(C)=O)CC2)CC1 2204447778 YJEIAKKJJASNFM-INIZCTEOSA-N 297.423 4.646 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(OCC)nc1 2204687221 ZBSXHWZNHVOOGZ-INIZCTEOSA-N 278.440 4.621 30 10 CJEE CC1(C)CCC[C@](C#N)(CC2C[C@H]3COC[C@H](C2)C3)C1 2206970744 HCYDBMKJNZAXNM-NUJGCVRESA-N 275.436 4.549 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)[C@H]1C[C@H]1CC 2207375666 GUGDALQNJDDDPR-SOLBZPMBSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCN1CC[C@@H]2C(F)(F)[C@]2(C)C1 2207380759 BYYQEGROBWEPNC-JKSUJKDBSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCNCCc1ccc(F)cc1 2207396721 NTHSIEPNUUPHJC-UHFFFAOYSA-N 277.427 4.875 30 10 CJEE C=CCCCCCCCC[C@](C)(O)c1ccc(C)nc1 2207402091 IIMLLVHQPWYRIZ-SFHVURJKSA-N 275.436 4.904 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@]1(N)CCCC1(C)C 2207403384 IECUKBOJOPWLOO-WMZOPIPTSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H]1COC(C)(C)[C@H]1NC 2207405015 WDMLGXWBNYJIIT-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCO[C@@H]1C[C@@H](C)NC[C@@H]1C 2207425637 STRHRGWBOFRBRP-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@@H](N)C1CCC1 2207428261 WKPGMTDZVIXAHS-GOSISDBHSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]1C1CC1 2207440778 FFGNROVVFAAIMN-KURKYZTESA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@H]1OCCC[C@H]1CNCC(C)C 2207469230 MONDGZZLDXHBJP-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCC(=O)CCNCc1ccccc1 2209705185 IHNVMWGULPJJQE-UHFFFAOYSA-N 287.447 4.652 30 10 CJEE C=CCCCCCCC[C@]1(N)CSCC(C)(C)C1 2220084726 MAMFHNZEUGPNSY-MRXNPFEDSA-N 269.498 4.764 30 10 CJEE CCCCCCCCCN(C)C[C@H](F)C1CCC1 2220897456 HHWIDQXTNODUJP-INIZCTEOSA-N 257.437 4.807 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCC1(F)F 2223847160 BEFVPYQPCRTFIS-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCN(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1 2225358112 VMGLKMTUAKLLTR-BJWYYQGGSA-N 261.453 4.633 30 10 CJEE CC(C)(C#N)CCCCNCCCCCCC1CC1 2225807587 FDZXIYQJTLFGQE-UHFFFAOYSA-N 264.457 4.657 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@]1(C)C(F)(F)F 2227270482 GHNJPBZMFRWCCI-KBPBESRZSA-N 277.374 4.691 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@H]1C1CCC1 2227275965 ZQLLQEKERUYBKG-KSZLIROESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 2227278524 ABKZQPHTZROBEE-XDNAFOTISA-N 263.469 4.737 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1C[C@@H]1CC)NN 2228225842 NGGGWYNDURDMSS-GVDBMIGSSA-N 268.489 4.785 30 10 CJEE C#CC[C@H](C[C@](C)(N)c1cc(Cl)cc(Cl)c1)C1CC1 2229575581 SPEBCLNCZCZIQG-WBMJQRKESA-N 296.241 4.607 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C[C@H]2C[C@@H]1C2 2229883301 YGFNEKFJCASITE-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=C1CCC(CN(C)C[C@H](F)C2CCCCC2)CC1 2230035843 PUPPHFVATGVESF-KRWDZBQOSA-N 267.432 4.583 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)C1(Cl)CC1 2231023049 AWFJRQANADLBCO-OAHLLOKOSA-N 289.891 4.503 30 10 CJEE C[C@@H](C[C@H](O)C#Cc1ccc(Cl)cc1)CC(C)(C)C 2231098856 NMSXYVAEYFDONL-XJKSGUPXSA-N 278.823 4.515 30 10 CJEE CCCCCCCC[C@@](C)(O)c1nc2c(s1)CCC2 2231912023 XWHUCCJHOHYFAG-MRXNPFEDSA-N 281.465 4.590 30 10 CJEE CCCCCCCC[C@H](C)NCCCOC(F)(F)F 2231929904 NWRWBXISHKGBEW-ZDUSSCGKSA-N 283.378 4.642 30 10 CJEE CCCCC1CCC([C@H](C#CP(C)(C)=O)NCC)CC1 2233783815 XKGOQDYFXHCJSA-JCYILVPMSA-N 297.423 4.545 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCCCC1CC1)NCC 2235470523 NEZMFZBUBKKKNE-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE C=CCCCCCCCN1CCC[C@@H](OC(C)(C)C)C1 2235536585 WQYDCRKBWXKGQO-QGZVFWFLSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCN1CCC(c2nccs2)CC1 2235536872 YXHAJKQRMPLMJY-UHFFFAOYSA-N 292.492 4.849 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)CC[C@H]1C[C@@H]1CC 2236524909 INUZDXXGCSTEBP-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE 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CCCCCCCCNCCc1c[nH]c2ccccc12 95763095 KZKNBJRZRAYTDE-UHFFFAOYSA-N 272.436 4.661 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@H](C)N 104152312 ZYXQORDUGYKYBP-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CCCCCCCCCCCCC(=O)c1cnccn1 109709426 MFBKXTNMZJLTEO-UHFFFAOYSA-N 276.424 4.970 30 10 CJEE CCCCCCCO[C@H]1Cc2ccccc2[C@@H]1NCCC 110081283 OGZILKYQVPJSQD-OALUTQOASA-N 289.463 4.639 30 10 CJEE CC(C)(C)c1ccc2oc(C#N)c(C(C)(C)C)c2c1 110162249 KKBNDAVOTWAYKC-UHFFFAOYSA-N 255.361 4.899 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](CCN)C1 112173668 JAOJJQKBEZNHTJ-IBGZPJMESA-N 296.543 4.968 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 113047445 OPXLXXNKZKILOQ-LLVKDONJSA-N 284.325 4.958 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc([C@@H](C)N)cc1 115854876 QDAGFELKZSOSCT-OAHLLOKOSA-N 290.451 4.786 30 10 CJEE CCCCCCCCCC[C@@H](O)CCN(CC)CC 118212462 WPWPWISCWZDXJM-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE Cc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1C(C)C 122557253 IPJRWPJDQZXWJV-UHFFFAOYSA-N 286.762 4.831 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccncc1Cl 122676013 NRYNVQZWEKJJJT-MRXNPFEDSA-N 297.874 4.770 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccc(Cl)c(F)c2)c1 125645704 WKWFXYGSBFLFGJ-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C(C)(C)C)cc1 125808043 IYSVAKSKQJXIDA-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](OCC)C(C)C 128269191 QRWJDFNNYAKBKH-HOTGVXAUSA-N 257.462 4.516 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@@H](C)OC 129153584 ZBWNTHRFIFKYJD-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](OC)C(C)(C)C 130769975 NUNAAUDCSURVDS-CVEARBPZSA-N 271.489 4.906 30 10 CJEE CCCCCCCCCC[C@]1(O)CCc2cc(N)ccc21 131838929 MJBYDDSAJOKTTH-IBGZPJMESA-N 289.463 4.933 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cccc(C(F)F)c1 131952466 VBPQDUHUJUUGRR-HNNXBMFYSA-N 278.346 4.501 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CC(C)(C)OC1(C)C 133206467 PBYXKDGDEUZGBI-GJZGRUSLSA-N 269.473 4.658 30 10 CJEE CCCCCCCCCCNc1nccc(C)c1C#N 135085627 WGFUDAIAUZUYSW-UHFFFAOYSA-N 273.424 4.814 30 10 CJEE CCCCCCCCNc1ccc(C(=O)O)cc1Cl 147335424 MFBYOIQDTBSMAM-UHFFFAOYSA-N 283.799 4.811 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1SC 158195422 CLHKRVPPBCTEQM-CQSZACIVSA-N 251.439 4.769 30 10 CJEE CCCCCCCCNc1cc(F)c(Cl)cc1N 160771526 GJXGBKRNVJTKDN-UHFFFAOYSA-N 272.795 4.834 30 10 CJEE CCCCCCC[C@H](O)c1cccc(F)c1Cl 168218805 RSLHHNAVKYKNMJ-ZDUSSCGKSA-N 258.764 4.873 30 10 CJEE O=C(C1=CCCCCC1)c1cc2ccccc2s1 203377811 PVBQODRXEZQRMX-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 221837824 AVQDLIALHUXIOU-MJVIPROJSA-N 296.336 4.814 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236965 RSEFWECIHOGWSZ-GYSYKLTISA-N 265.809 4.760 30 10 CJEE CC1(C)CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)CC1 227888867 VRUILGNKKUWFMN-YESZJQIVSA-N 290.495 4.853 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1OCC[C@@H]1C 229029874 GAJBQXBKSABGBM-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229738027 IBRXDHLXUQIUFA-UPMGZUDPSA-N 275.480 4.927 30 10 CJEE Cc1cc(C)nc(SCC2(CS)CCCCC2)c1 229876865 VWYBKNLZEYPLBV-UHFFFAOYSA-N 281.490 4.671 30 10 CJEE CCCCCCCC[C@@H](CC(C)(C)OC)NCC 230965502 DJGDOJHKBSWCOR-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CC[C@H](C)c1ccc(Oc2ccccc2C#N)cc1 232342046 LWMJVIUPXIDGCS-ZDUSSCGKSA-N 251.329 4.864 30 10 CJEE CCCCCCCCNC[C@@H]1CC(C)=C[C@@H](C)C1 232928794 ABBMWDNVJSWDIB-WBVHZDCISA-N 251.458 4.929 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnn(CCC)c1 232952433 VBDHWGKQBRNQKC-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE C=CCCCCCSc1ccc([C@H](C)O)cc1 235552059 INPJAGJKAVLEQM-ZDUSSCGKSA-N 250.407 4.578 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)cc1 236131088 PGBASNJDUKAFNN-UHFFFAOYSA-N 268.278 4.779 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C)CC[C@H]1CNC(C)(C)C 251228060 PMVHUFYPLCXNPN-HRCADAONSA-N 251.458 4.783 30 10 CJEE N#CC1(c2cccc(CC(F)(F)F)c2)CCCCC1 260004423 AIFCFALDQWMECO-UHFFFAOYSA-N 267.294 4.517 30 10 CJEE C[C@@H](CC#N)c1csc2ccc(Br)cc12 260201696 YUBOGKVIOMRRSB-QMMMGPOBSA-N 280.190 4.681 30 10 CJEE N#CC1(c2ccc(F)c(-c3ccccc3F)c2)CCC1 260307251 CNDRRJWYXVOYST-UHFFFAOYSA-N 269.294 4.577 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC=C)C1CC1 276461842 WUBKGGWWFHOOLE-UHFFFAOYSA-N 298.430 4.721 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1CCO[C@H]1CC 300618700 WYVGEYIRVAYFLF-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300626163 QQCWNXDDWIOTGG-OTRWWLKZSA-N 262.437 4.988 30 10 CJEE C=C([C@H](CC1CCCCCC1)NCCC)C(F)(F)F 312032786 YEBZFNUWGTVMND-AWEZNQCLSA-N 277.374 4.834 30 10 CJEE C=CCCCCNCc1cc(Cl)sc1Cl 312561525 PGUWOWWUGXKSAK-UHFFFAOYSA-N 264.221 4.501 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1c(F)cccc1Cl 313538953 NRLKGTKHNKULFL-JTQLQIEISA-N 295.785 4.728 30 10 CJEE C[C@@H]1C[C@H](Nc2cc(C#N)ccc2Cl)c2ccccc21 313609498 COINFFORWVZOHM-BZNIZROVSA-N 282.774 4.872 30 10 CJEE CCCCCCCNCCc1cccc(Br)c1 313712048 VOJWWLIMHUJAFF-UHFFFAOYSA-N 298.268 4.552 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC(F)(F)c1ccccc1 316630751 MXZFVSKOYSOJRV-HIFRSBDPSA-N 266.331 4.564 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccc(C(C)(C)C)cc1 316807032 PMCGSQGZPPSWHN-BEFAXECRSA-N 272.432 4.922 30 10 CJEE CCCCCCC[C@]1(C=O)CCc2ccccc2C1 316932891 FIUOJEUULXOXSS-SFHVURJKSA-N 258.405 4.721 30 10 CJEE CCCC1CCC(C=O)(Cc2cc(F)ccc2F)CC1 317287569 UVLHFUDIGOIAFS-UHFFFAOYSA-N 280.358 4.683 30 10 CJEE CC(C)NC[C@H]1CCC(C)(C)C[C@H]1CC#CC(C)(C)C 379883329 UFNWROXWVUHZFO-IAGOWNOFSA-N 277.496 4.867 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@H]1C 385003568 MHXGXRYXIKHAAJ-TYNCELHUSA-N 292.220 4.883 30 10 CJEE CCC[C@H](CS)CN(Cc1ccccc1)[C@@H](C)CC 387449530 ULGPMWLBTYTPPH-RDJZCZTQSA-N 279.493 4.633 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(C(F)(F)F)cc1 393736802 CFFLPLDCGQUIFZ-RISCZKNCSA-N 271.326 4.711 30 10 CJEE CCCCCCCCCNC(C)(C)C(F)(F)F 393853695 AZTMVXOFTUZVPQ-UHFFFAOYSA-N 253.352 4.668 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)C2(C#N)CCC(C)(C)CC2)C1 394503706 AODUNBJWANXGKT-OWCLPIDISA-N 277.452 4.674 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cncnc1C 398374967 KFJCVDZCFIFPBY-KRWDZBQOSA-N 277.456 4.576 30 10 CJEE C=CCCCCCN(C)C(=O)c1c(C)oc2ccccc12 466436712 PNDZWJNJQXUVJU-UHFFFAOYSA-N 285.387 4.560 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2s1 466648638 VOUXVJJPIRJCOC-STQMWFEESA-N 287.428 4.681 30 10 CJEE Cc1cccc(Cl)c1C(=O)/C=C\c1ccccc1 642882808 RDUNERYCBIEURA-KHPPLWFESA-N 256.732 4.545 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](c2ccccc2)CCC1=O 686690781 ITKIBLFQBONRHP-ZWKOTPCHSA-N 268.400 4.723 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc2c1CCO2 690263808 FNUYDZVBZJXXRM-AWEZNQCLSA-N 261.409 4.782 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)c1ccc(C#N)c(Cl)c1 691055173 KSBPNTVSXWMUPY-MLGOLLRUSA-N 276.811 4.617 30 10 CJEE CCc1ccc(Nc2cc(OC)ccc2C#N)cc1Cl 691230695 KOHQMCKLNMUWBI-UHFFFAOYSA-N 286.762 4.526 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)C[C@@H](C#N)C2CCCCC2)CC1 697862485 MSFFDUQMJZDWIE-KBAYOESNSA-N 276.468 4.607 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CCCC2CCC2)C1 701520808 DSMRGJGLPVHHAG-SQNIBIBYSA-N 276.468 4.607 30 10 CJEE CCC(C)(C)c1ccc(OC[C@H](CS)C2CC2)cc1 701998280 NTJITEQOFYDHTA-CQSZACIVSA-N 278.461 4.709 30 10 CJEE C=C(CC)C[C@@H](N)c1c(Cl)cccc1C(F)(F)F 712539123 RPUVPERLHPVCQH-LLVKDONJSA-N 277.717 4.715 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(OCCC)c1 715707775 YJGOOINZVAAQFU-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE CCCCCCC[C@H](NCC)C1C[C@@H]2CC[C@H](C1)S2 716050955 XKXRRMCCYBSTJW-HMQMGEFJSA-N 283.525 4.999 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)cc(Cl)c1O 717911884 XPZUUWLIEMDIPS-UHFFFAOYSA-N 288.218 4.533 30 10 CJEE C=CCCSCCN[C@H](CC)CC1CCCCC1 720986346 OMEVTYTVIAXEIM-MRXNPFEDSA-N 269.498 4.634 30 10 CJEE C[C@@H]1CC[C@@H](OCCCCCCCCCS)C1 721557106 MAZNHZAEOJZDQV-HUUCEWRRSA-N 258.471 4.852 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 723627850 YRVBMAMGGOMOOT-IXDOHACOSA-N 268.404 4.638 30 10 CJEE C=C1CCC(CNc2cccc(Cl)c2F)CC1 724549594 HEIMUHUWYNJTIC-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE N#CCc1cc2sc(Cl)cc2cc1C(F)(F)F 725287034 YELSQKMZJDFCJK-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE C=CCC1(C(=O)Nc2cscc2Cl)CCCCC1 1133070853 OMJBBRRFRSVRIE-UHFFFAOYSA-N 283.824 4.867 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)cs1 1163715544 GEXAUZOVVMVXAL-UWVGGRQHSA-N 290.354 4.709 30 10 CJEE C=CCCCCN[C@H](Cc1ccccc1)c1cccs1 1169110408 AFUHSMGBZOSBDF-QGZVFWFLSA-N 285.456 4.978 30 10 CJEE C=CCCCN1CCC[C@@H]1c1cccc(Br)c1 1190405885 CLLGSIMOAHSFDW-OAHLLOKOSA-N 294.236 4.552 30 10 CJEE C=CCCC[C@H](C)NCc1cnc(-c2ccc(C)o2)s1 1201656518 TYVZRKBSJFQGAS-LBPRGKRZSA-N 290.432 4.546 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2[C@H](C)CCC[C@H]2C)c1 1210299657 RWGNXYDUGXWVTG-ZIAGYGMSSA-N 286.419 4.666 30 10 CJEE C=CCCCCCCCCO[C@H]1CCNC2(CCC2)C1 1217875820 XQHSSYCOZUAISM-KRWDZBQOSA-N 279.468 4.594 30 10 CJEE C=C[C@H](C(=O)N1CCCC[C@H]1CC1CCC1)c1ccccc1 1301269476 PFEDIKPETJUXGR-OALUTQOASA-N 297.442 4.528 30 10 CJEE Cc1cc(Oc2snc(Cl)c2C#N)cc(C)c1Cl 1306930676 CNNWXJLTNAMSHL-UHFFFAOYSA-N 299.182 4.731 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@H]1CCC[C@H](C)C1 1307445172 VMXLYLLHBBKARE-AZUAARDMSA-N 285.475 4.934 30 10 CJEE C=CCOc1cccc(CNC[C@H]2CCCC[C@@H]2CC)c1 1308422728 OMNQVNRMUQOSMV-ZWKOTPCHSA-N 287.447 4.557 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@]2(c3ccccc3)CC2(C)C)C1 1308473775 PASWHAQAWMSBKS-YVWKXTFCSA-N 283.459 4.689 30 10 CJEE C#CCC1(NCc2csc3ccccc23)CCCCC1 1308531637 KEJLMRLXBXFRHY-UHFFFAOYSA-N 283.440 4.717 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(C)c(C)c1)c1ccccc1 1348561495 GLPDVRRRUSNUFN-LJQANCHMSA-N 294.394 4.959 30 10 CJEE C=CCC(C)(C)C(=O)N(Cc1cccc(C)c1)CC(C)C 1355487080 IBLCHNWERRMYKC-UHFFFAOYSA-N 287.447 4.582 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccccc1 1435621334 MWBLOSZVAIRVST-IAGOWNOFSA-N 285.431 4.636 30 10 CJEE C=CCCc1ccccc1NC(=O)Cc1sc(C)cc1C 1436020358 RHSJIRAALXXWCA-UHFFFAOYSA-N 299.439 4.665 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(C)cc1Cl 1460887460 UMGAVPHNOLJBDO-OAHLLOKOSA-N 263.812 4.579 30 10 CJEE C=C(C)CCN[C@H](C)CCc1ccc(OC/C=C\C)cc1 1474532803 RKAVNAXZVMWWCB-KEGWNNHHSA-N 287.447 4.518 30 10 CJEE C=CCCCCCCCNC(=O)OC1CCCCC1 1475361804 QIJAIKRWQYYWED-UHFFFAOYSA-N 267.413 4.572 30 10 CJEE C=CCC(CC=C)C(=O)N1CCc2cc(C(C)(C)C)ccc21 1523613858 KIFUFPKSRYKQKT-UHFFFAOYSA-N 297.442 4.642 30 10 CJEE C=C(CC)CNC(=O)c1cc(CC)c(-c2ccccc2)s1 1525399707 MFPHMPNJOAHTMP-UHFFFAOYSA-N 299.439 4.674 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 1536529845 LCHONTBAHRBCSP-MSOLQXFVSA-N 299.458 4.821 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1 1539557882 INWMCOLLRAWMPI-OAHLLOKOSA-N 269.388 4.629 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 1544006971 FBTZSYHLFADQDQ-UHFFFAOYSA-N 290.165 4.673 30 10 CJEE C=C(C)CCN1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 1560074465 VCWIIEHRDQOFMU-QGZVFWFLSA-N 295.829 4.842 30 10 CJEE C=CCCCCCCNC/C(C)=C/c1ccccc1 1560467963 CADJIFACNXQGMO-BMRADRMJSA-N 257.421 4.816 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cccc3c(OC)cccc23)C1 1560922830 ITHJWCSPYCOOIG-MRXNPFEDSA-N 295.426 4.637 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC[C@H](C(C)C)C3)cc21 1621545928 LWBBIURBKZQZMK-DOTOQJQBSA-N 297.446 4.849 30 10 CJEE C=C[C@H](C(=O)NCC[C@H](C)CC(C)(C)C)c1ccccc1 1634134148 WDPAPWRMCGCKAJ-RDJZCZTQSA-N 287.447 4.535 30 10 CJEE C=C(C)CCN1CCCC[C@H]1c1ccc(Cl)cc1 1643097030 FYWYHXGOZRBJHU-INIZCTEOSA-N 263.812 4.833 30 10 CJEE C#C[C@@H](NC(CCC)CCC)c1ccc(Cl)cc1F 1652446925 ZJQCRLSPNBYNSR-MRXNPFEDSA-N 281.802 4.712 30 10 CJEE C=CCCCCCN1CCC[C@@]1(C)Cc1cccs1 1656328212 IERXRAQIVQJNTR-KRWDZBQOSA-N 277.477 4.892 30 10 CJEE C=CC(C)(C)NCc1ccc(OCc2ccc(C)cc2)cc1 1658126427 RKTDZRAKANSYCQ-UHFFFAOYSA-N 295.426 4.628 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 1659230864 DPOOLNNVEHVVJF-RDJZCZTQSA-N 291.866 4.853 30 10 CJEE C=CCC1(NC[C@@H](CC)c2ccccc2)CCCC1 1660279919 BQPXJKGSWCTVBV-MRXNPFEDSA-N 257.421 4.659 30 10 CJEE CC#CCCCC[C@]1(CNC2CC2)CCCC[C@@H]1C 1885236652 LELFAQVHBLMLCX-FUHWJXTLSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@@H]1CCCCC[C@@H]1CNCCC 1885237151 NTSAFQUWWHGEHB-QZTJIDSGSA-N 263.469 4.766 30 10 CJEE CC#CCCCCC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21 1885355792 DTDZCUKTRHDDFS-BRWVUGGUSA-N 260.421 4.746 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1ccc(CC)s1 1888681495 FMBPDIUBJAFNRT-KRWDZBQOSA-N 271.429 4.675 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@@](C)(O)CCCC(C)C 1893062260 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284.440 4.665 30 10 CJEE C=C(CC)C[C@@H](OCCC(=O)O)c1cc(C)cc(Cl)c1 2292136415 XQEHNZWICIBKJN-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=CCCCCCCC[C@@H](CC(C)(C)C)OCC(=O)O 2292591084 XZWQAURTIDCDAA-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)C[C@H](C)[C@@H]1C 2292648740 AVPWCGPQJIDHMQ-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2292778581 HERKABMLQQDOCT-VSZNYVQBSA-N 281.484 4.539 30 10 CJEE C=C(CC)C[C@]1(OCCCN)CCCC[C@@H]1C(C)(C)C 2293049786 LFUVWIFXLINXAB-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCN)CCC[C@@H](CCC)CC1 2293133837 PLWOWXHKLWINTR-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)c1ccc(C)c(Cl)c1 2293141874 MHMFLWTYDQWABE-YOEHRIQHSA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@@](OCCCN)(C(C)C)C1CC1 2293413109 IVGJVZPKEJZBPG-GOSISDBHSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)CC[C@@H]2C[C@@H]21 2293459382 LQOOUZAUAMXSKS-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC12CCCC2 2293688957 UJVVITJMWMYNTH-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1sccc1OC 2293915704 MFHHYOBHEMWJAE-OAHLLOKOSA-N 299.480 4.524 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCC(C)(C)C1 2294376759 WEYJAQHFPLXSJP-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CC(CCC)C1 2295527158 ONTKQIYXBUNOKS-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)[C@@H](C)CC(=O)O 2295531645 NEVPOKUMCJVLDA-CVEARBPZSA-N 285.472 4.701 30 10 CJEE CCCCCCCCC[C@H](C)N(C)CC[C@@H](N)C(C)C 2295535158 ZMIRNQMJNQHMKT-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCCC[C@@H]1CO 2295678332 HDYKNRARJNKNHE-RCCFBDPRSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@H](C)C(C)C 2295682309 OXSNXNKXXJPPBY-BZSNNMDCSA-N 285.516 4.888 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CCC(C)(C)[C@](N)(C#N)C1 2295765051 ZGRIESXLGFVXEX-YQQAZPJKSA-N 296.524 4.736 30 10 CJEE CCOc1ccc(NC=CC(=O)c2cc(C)ccc2C)cc1 2296876480 ZAXHFNFOHSWNKJ-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)s1 2298930336 KQAMSNLIBCVBEG-NWDGAFQWSA-N 269.479 4.693 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(CCC)s1 2304030178 ZJGZBQHKWZWCNK-SWLSCSKDSA-N 251.439 4.563 30 10 CJEE C=CCC(C)(C)C(=O)CCC(C)(C)C(F)(F)F 2304062310 LMEGGVYRWKFSOG-UHFFFAOYSA-N 250.304 4.527 30 10 CJEE CC(C)(C)[C@@](C)(CS)CSC[C@H]1CC12CCC2 2307228610 ZZUQPEFZRKZQFT-OCCSQVGLSA-N 272.523 4.892 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1CC[C@@H]2C[C@H]12 2308151802 BZUCTTMEHSNCDV-YLFCFFPRSA-N 251.458 4.891 30 10 CJEE C=CCC[C@@H](C)[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2309180620 GSEXSRIAYHILGH-HMDCTGQHSA-N 250.426 4.556 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1C[C@@H]2CC[C@H]1C2 2312896522 QXIDKDWVOUEMKM-LTIDMASMSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@@H]2CC[C@H]1C2 2312913616 PMTUTZLBRSRRLX-IKGGRYGDSA-N 251.458 4.763 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313200951 IPNFCIGOORLAEL-BBWFWOEESA-N 251.458 4.715 30 10 CJEE CCCCCCCCC[C@@](C)(O)C#CC1CCC1 2315702798 KHNKQRIHYRWSDV-QGZVFWFLSA-N 250.426 4.682 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1cc(C(F)F)cs1 2316707975 XSHHJAMYHVNGHG-ZDUSSCGKSA-N 271.376 4.715 30 10 CJEE C=CCC(CC=C)[C@H](N)CSc1ccc(Cl)cc1 2316738065 CUSHBHXLOYMIKG-OAHLLOKOSA-N 281.852 4.528 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCC(F)(F)F)NCC 2321100960 GFXZPMURUBRQGB-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1csc(C(F)F)c1 2321102483 RDPBJJUDYJKQLA-JSGCOSHPSA-N 273.392 4.939 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(SC)c1 2321113475 OSXONDRILYJXJJ-HNNXBMFYSA-N 263.450 4.661 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2321132758 AUPDLLKLYDYZQG-BIVLZKPYSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CC(C)(C)CC(F)(F)F 2321228013 JIYZINRJOXNNME-WCQYABFASA-N 266.347 4.708 30 10 CJEE C=C(C)COc1cccc(C=CC(=O)c2ccc(F)cc2)c1 2323222739 LIOQVKFUNAMVAI-UHFFFAOYSA-N 296.341 4.677 30 10 CJEE CCCCC#CC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2325266845 HWDUHYBVGRVKIV-CQSZACIVSA-N 289.177 4.750 30 10 CJEE C=C([C@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCCC)[Si](C)(C)C 2330813245 HHHUITMNQULUBD-NCOADZHNSA-N 279.544 4.615 30 10 CJEE C=CCC(CC=C)SCc1cc2cc(N)ccc2o1 2335093698 MMFAUHDSPBYVIA-UHFFFAOYSA-N 273.401 4.769 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC2CCC2)c(C)c1 2335248333 NQWPGXZTMMCYDS-CQSZACIVSA-N 275.461 4.694 30 10 CJEE Cc1cc(CSC[C@H]2CC[C@H](C)CC2)ccc1C#N 2335353310 DFYCSHNNFBNOSH-CTYIDZIISA-N 273.445 4.926 30 10 CJEE CCCCCCCCCC(=O)C#CC1(SC)CCC1 2336285785 UMSCCUKKUYFOQU-UHFFFAOYSA-N 280.477 4.985 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1ccc(Cl)cc1Cl 2337438111 FLNBSPAGCMWDQN-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE C#C[C@H](C1CCC1)N(C)Cc1ccc(Cl)c(Cl)c1C 2338674924 UMXHENXOLSEJPM-OAHLLOKOSA-N 296.241 4.536 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCCC12CCC2 2338741324 MSTCPPAOPYDJSH-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NCCC 2341882123 BICZBZPAUCAIQI-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccnc1C(C)C 2342154748 KGOPLFKUMKUNOB-INIZCTEOSA-N 260.425 4.602 30 10 CJEE O=CC1(C[C@@H](c2ccccc2)C2CCCC2)CCC1 2342483477 TUSWKWZYDUNABU-KRWDZBQOSA-N 256.389 4.720 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1cccc(C(C)C)c1 2343602796 DZMHUQUCJDSGPZ-QAPCUYQASA-N 257.421 4.510 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@H]2C[C@H]2C1)NCC 2344337546 RKYMXLHNRAKDPY-WKULXVSPSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(F)cc(F)c1 2344379288 XIWOTJUSZIQMFB-CVEARBPZSA-N 267.363 4.608 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(CC2CC2)c1 2344383722 JILPLSDSQSFRRP-ZWKOTPCHSA-N 257.421 4.631 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC(F)(F)c1ccccc1 2344462754 BELLTKRQIVENDL-CABCVRRESA-N 268.347 4.522 30 10 CJEE CC(C)(C)C1CCN(C[C@@](C)(CS)C(C)(C)C)CC1 2352323352 IKILFKWOVLZBOT-KRWDZBQOSA-N 285.541 4.727 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(Cl)c(C)c1Cl)C1CCC1 2353046987 BIFUAXRCKZMXRB-NHYWBVRUSA-N 296.241 4.754 30 10 CJEE C=CC[C@H](C)[C@H](NC)C1CCC(CC(F)(F)F)CC1 2353633683 OWTMMVMAXAFIFF-ABXWRUBCSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1CC)OCC(=O)O 2360006215 JPSWYFRKGCSKCA-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]2CC[C@H]1O2 2360179284 AZRXGOHEIKFYFO-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@@H](C)CC1CC1 2360339643 KRSDSOUWNASUPE-JQHSSLGASA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc(CNCC)cc1F 2360368053 KNDVRYMBSMGNAW-UHFFFAOYSA-N 297.414 4.687 30 10 CJEE C=CCOc1ccc(CNc2ccccc2C(C)C)cc1 20545542 PLMWGOICJLHUEK-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE Cc1ccc2nc(-c3ccc4ccccc4c3)c(CC#N)n2c1 31921727 DUBQNYREGDZTJC-UHFFFAOYSA-N 297.361 4.529 30 10 CJEE Oc1c(/C=N/Cc2ccccc2)cccc1-c1ccccc1 36466014 FSPOXHUULGJXKY-RCCKNPSSSA-N 287.362 4.678 30 10 CJEE CC1(C)CCC(Nc2ccc(C#N)cc2Cl)CC1 79679338 SBVQRZGKXUTZOS-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CC(C)c1ccc2nc(C(C)C)cc(CC#N)c2c1 82465582 SUOJSUDDGVCWFU-UHFFFAOYSA-N 252.361 4.548 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Nc2cccc(C)c2)CC1 86914132 GQIJMAJCRPGTDG-WBVHZDCISA-N 256.393 4.660 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)ccc2F)C1 87972833 USWFXJBPNPBFJU-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCOc2ccc(OC)cc2)C1 88415894 SBFZQIWGDHZXRN-QAPCUYQASA-N 287.403 4.574 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)c(Cl)c2)CCCCCC1 91880663 RVLZTQMIRQCVHR-CQSZACIVSA-N 298.213 4.891 30 10 CJEE CCC(CC)(CS)COc1ccccc1C(C)C 94583173 DTSVSRYCXGLJJC-UHFFFAOYSA-N 266.450 4.925 30 10 CJEE CCC[C@H](CS)COc1c(C)cc(Cl)cc1C 94583458 FUOYZPFXVFIQMQ-LBPRGKRZSA-N 272.841 4.682 30 10 CJEE CCCCCCC[C@H](C)NCc1cc(F)ccc1F 104267878 RECXQVUUQBTMOH-ZDUSSCGKSA-N 269.379 4.803 30 10 CJEE CCCCCCCNc1nnc(SCCCC)s1 106351573 MGARQAXIBJYCHZ-UHFFFAOYSA-N 287.498 4.813 30 10 CJEE C#CC[C@H](CCC)c1ccc(OCC(C)C)cc1C 107615664 DPIBWQCPWZZDHL-MRXNPFEDSA-N 258.405 4.937 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(OCCC)cc1CC 107661452 HPTHYHRLGCZJRK-HUUCEWRRSA-N 258.405 4.801 30 10 CJEE CCCc1c(C#N)oc2ccc(C(C)(C)CC)cc12 110162051 FCRRGQJYPRHQJO-UHFFFAOYSA-N 255.361 4.945 30 10 CJEE CCCCCCCCCCCCn1cc(C[C@H](C)N)cn1 110268202 QLGIMHNYTUTYBF-KRWDZBQOSA-N 293.499 4.694 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)CC2CCCC2)C1 110836765 SQPPTDNURXSNNR-FGTMMUONSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCNCCOCCCC 113011921 GKPJLYVNPVLLRA-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCCCOC1(CN)CCC(C)CC1 114800912 LCIHYXYJLWWQHU-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCn1cccc1[C@H](C)O 118236856 ARZRXEXNXZRHKC-HNNXBMFYSA-N 251.414 4.682 30 10 CJEE CCCCCCCC[C@H](NN)c1cc2c(s1)CCCC2 122353845 ILMMXKNPCSUNPR-HNNXBMFYSA-N 294.508 4.882 30 10 CJEE C=CC[C@@H](CCCCCCCCCCCC)NN 122586503 KOYXSIMODTWJDH-INIZCTEOSA-N 254.462 4.705 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(C2CCC2)c1 125267649 QUUMCMHIIUTBSJ-GOSISDBHSA-N 274.452 4.819 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1 127775828 OWIAXZQHEYBPAO-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE C#CCCC[C@@H](CSc1ccccc1Cl)NCCC 134079539 SEFOISHBHQUETH-AWEZNQCLSA-N 295.879 4.604 30 10 CJEE CCCCCCCCOc1ncnc(NCC)c1C(C)C 158017631 NZSAXRRHRCEJCX-UHFFFAOYSA-N 293.455 4.771 30 10 CJEE CCCCCCCCCOc1c(C)cccc1C=O 159408275 CMKXPKRMLZQBMX-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE C#CCC[C@H](NCCC)[C@@H](c1ccccc1)[C@@H](C)CC 165978342 KBUOMJXVSDQJKT-YTQUADARSA-N 271.448 4.598 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(Br)c1C 167698532 DPDNZALSTKMBKW-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2OC)C1 217534258 ZMAYFULUOBVHFN-CPUCHLNUSA-N 289.444 4.896 30 10 CJEE CCCCCCCCCCNC[C@@H]1C[C@H]2C=C[C@@H]1C2 228343052 NSUFUPTZOYDJGO-KSZLIROESA-N 263.469 4.929 30 10 CJEE CC(C)C[C@H]1CCC[C@@](C#N)(Nc2ccccc2F)C1 230779504 YJICBBRHSPQKKR-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE C=CCCCCCC(=O)c1ccc(Br)cc1 232458130 GUDBFEFALHNIGZ-UHFFFAOYSA-N 281.193 4.768 30 10 CJEE CCCCCCC[C@H](O)c1c(C)cc(C)cc1OC 232943118 YOECEEVTRSXMOG-HNNXBMFYSA-N 264.409 4.706 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CSc2ccccc21 233604386 KHMSYDDIYYZYEM-IAGOWNOFSA-N 289.488 4.991 30 10 CJEE CSc1cccc(NC[C@H]2CCC[C@H](C)C2)c1C#N 235091466 RNMITFRVIPSKQL-STQMWFEESA-N 274.433 4.518 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cc(Cl)ccc1Cl 235778943 PTNFXORFBHWGTF-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(F)c(Cl)c1 236537920 WKBMXEIJKZJJAL-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)c2ccccc2[C@H]1N 252724397 XEKRXZUMZDIIGI-KFKAGJAMSA-N 289.463 4.939 30 10 CJEE COc1cc(C(C)C)ccc1C1(C#N)CCCCC1 260896885 WAZFLIKGEUWSAS-UHFFFAOYSA-N 257.377 4.544 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@H](CC)C1 300523208 SNKVAKVPJDODJC-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE O=C(C=C1CCCCC1)CCc1ccc(Cl)cc1 308517455 NIJHAWPZDGABNP-UHFFFAOYSA-N 262.780 4.732 30 10 CJEE Cc1cc(Nc2cc(F)cc(C#N)c2)c(Cl)cc1F 311350489 LRVLVRGVDSFMJY-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCCCCC[C@]1(C#N)CCCN1 311516125 SINNRLKZPJPQBU-QGZVFWFLSA-N 264.457 4.943 30 10 CJEE N#CC1(Cc2ccnc3ccccc23)CCCCCC1 312493014 JFJPNCYXRWTSTP-UHFFFAOYSA-N 264.372 4.641 30 10 CJEE C=CCC[C@@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317900134 RXGDUDBGSFEFDW-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCC[C@@H](Nc1cccc(Cl)c1C#N)C1CCC1 325064519 YKZYGTDEHWITFA-CQSZACIVSA-N 262.784 4.592 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)CCC(C)(C)C)C1 381821170 NTSNERFNBIEKTC-OIISXLGYSA-N 265.441 4.674 30 10 CJEE CCCCCCC[C@@H](C)N(C)[C@@H](CC(C)(C)C)C(=O)O 387447156 ATJUOUWCEDFRPK-CABCVRRESA-N 285.472 4.557 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H](OC)c2ccccc2)C1 393380193 VDLVIKFFPKNQNY-NXHRZFHOSA-N 271.404 4.874 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1cccc2ccsc12 395269378 AVNACCKAPNXYFV-ZIAGYGMSSA-N 270.401 4.786 30 10 CJEE CCCCCCCCCCCCNCC1=CCOCC1 397797259 DBZMMDIIQFXPOB-UHFFFAOYSA-N 281.484 4.844 30 10 CJEE C=CCCC[C@H](C)NCc1ccc2cc(OC)ccc2c1 398080228 QUOWYOIWCFRTNK-HNNXBMFYSA-N 283.415 4.683 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(CC#N)cc1 398977868 ZNKWAJGOGYMENM-HNNXBMFYSA-N 259.393 4.628 30 10 CJEE C=C(CC)C[C@H](NCC(C)C)[C@H](C)c1ccccc1 405624301 UFDZGDYXDAQIGW-AEFFLSMTSA-N 259.437 4.761 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(C)c(C)s1 686689916 XJNKEZKUHMDXQL-OAHLLOKOSA-N 263.450 4.599 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)c1cc(Cl)ccc1C#N 691053736 AAODXNQJBGLVSK-DOMZBBRYSA-N 276.811 4.617 30 10 CJEE CCc1ccc(Nc2ccc(C#N)c(F)c2)cc1Cl 691226566 FSWWGGSBYQOKMO-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CCC1(C)C 694222583 HQZSTMZWINKYDR-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE CN(CCCCC(C)(C)C#N)C[C@@H]1CCCC2(CC2)C1 696224198 HZPKMAHKYGKLKH-MRXNPFEDSA-N 276.468 4.609 30 10 CJEE C=C1C[C@H]2CC(NCC3CCC4(CC3)CC4)C[C@@H](C1)C2 697315041 JBHMGJXOWVGQOD-JWTNVVGKSA-N 273.464 4.681 30 10 CJEE CCCCCCCNCc1cc(F)cc(C(F)(F)F)c1 703723333 LZKIWQYXDQEBJV-UHFFFAOYSA-N 291.332 4.905 30 10 CJEE CC(C)(C)[C@@H]1CCCN(CC2(CS)CCCCC2)C1 708468309 SMUMMPGVRPUDNF-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE CCCCCCCCCC[C@H]1C[C@H]2C[C@H](CN2)C1 709470939 RCMHCFMSGOEGNP-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE Cc1cccc(C)c1N=C1NC2(CCCCCC2)CS1 713203321 RRULWSJWMAYNQS-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE C[C@@H]1CCC[C@@H](/N=C2/NC3(CCCCCC3)CS2)CC1 713215398 OSVOAGSHDUVUHU-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CCCC(C)(C)O2)CC1 714369019 CMTMFLMCZFATTK-CKDBGZEDSA-N 263.425 4.834 30 10 CJEE CC1(C)CCC[C@H](CC2(C=O)CCCCCCC2)O1 714381594 FZMCNSBRSTXTTD-OAHLLOKOSA-N 266.425 4.654 30 10 CJEE C=CC[C@@H](C)[C@@H](CSc1cccc(C)c1)NCCC 715718639 HUWDJLZFJJKRHG-NVXWUHKLSA-N 277.477 4.668 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc2cc(F)ccc2s1 715768242 IENUGGBXGODIQQ-BONVTDFDSA-N 263.381 4.513 30 10 CJEE CC[C@@H]1C[C@@H](C)S/C(=N/Cc2ccc(C(C)C)cc2)N1 716958918 AIHOTOUEOUNEFH-CZUORRHYSA-N 290.476 4.560 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cscc1C(F)(F)F 717207607 CLCPQPSNHDKLKP-GFCCVEGCSA-N 277.355 4.774 30 10 CJEE CC[C@@](C#N)(CC1CCCCC1)Nc1cccc(F)c1 720348490 AEGJXNQNQJZLTL-KRWDZBQOSA-N 274.383 4.880 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H](CCC)CC(C)C)CC1 724617069 KSVXVMWVGNIPBY-IAGOWNOFSA-N 251.458 4.913 30 10 CJEE C=CCCC[C@@H](NCc1nc(C)cs1)c1ccccc1 880388128 IGXDYWKXEALGLY-MRXNPFEDSA-N 286.444 4.639 30 10 CJEE Clc1cc(N=Cc2ccccc2)ccc1Br 1084252869 HHPXWHLIOHOMIS-UHFFFAOYSA-N 294.579 4.853 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CCCCC1 1125930115 NTFLUYHGSWCWOY-IAGOWNOFSA-N 291.479 4.844 30 10 CJEE C=C[C@H](CC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC)c1ccccc1 1125945861 KBYAKFIAPPMFBA-GVDBMIGSSA-N 299.458 4.772 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)c1ccc(CCCC)cc1 1126910583 PHEMHEZYHGVISL-GOSISDBHSA-N 273.420 4.594 30 10 CJEE C=CC[C@H](C(=O)OCc1ccc(C)c(F)c1)c1ccccc1 1127857574 REVMLYHLYJEJRJ-KRWDZBQOSA-N 298.357 4.537 30 10 CJEE C=C[C@](C)(CC)C(=O)N1C[C@H](C(C)(C)C)Cc2ccccc21 1132430707 GVRRGOCEEUHBQZ-OXQOHEQNSA-N 299.458 4.840 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cc(Cl)ccc1NCCC 1137533094 YOSDTBHKVXKOCL-UHFFFAOYSA-N 294.826 4.703 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@H](C)c1ccccc1 1170582200 NDVZDMGUBTXDPJ-QGZVFWFLSA-N 265.400 4.826 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@@H]2CCCC[C@H]2C)c(Cl)c1 1184098610 ZKWGHYIQMGNNQK-UMVBOHGHSA-N 275.823 4.948 30 10 CJEE C=C(C)c1cccc(NC(=O)N(CC(C)C)CC(C)C)c1 1210292146 DYSLZGCESQWOKA-UHFFFAOYSA-N 288.435 4.866 30 10 CJEE C=CCCCCCCCNC(=O)NC1C[C@H](C)C[C@@H](C)C1 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C=CCOCC[C@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317982951 NBXAKZVNFYUXSJ-SJLPKXTDSA-N 281.484 4.554 30 10 CJEE C=C[C@@H](C)C1(CNC(C)C)CCC(CCC)CC1 318039160 ISXGQYPVBUDORT-KLAILNCOSA-N 251.458 4.783 30 10 CJEE CCC1CCC(C#N)([C@@H](O)[C@@H](C)C2CCCCC2)CC1 380772647 QQUIVJIVLLRTRV-JWFMREHNSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H]2CC(C)(C)OC2(C)C)C1 381713515 GPNBBDUUBMZFIC-CKEIUWERSA-N 263.425 4.690 30 10 CJEE C=C(C)CCN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 386951781 XQJDRDRCASAHCV-CGTJXYLNSA-N 257.421 4.515 30 10 CJEE Cc1ccc([C@H](C)N(C)C[C@@H](CS)C(C)(C)C)s1 387249237 JYWOKLJMXROTNM-STQMWFEESA-N 285.522 4.641 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1ccc(Cl)cc1C 387472310 SWBCOBSSWBPJHL-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE C=CC[C@@H](CC)N[C@@H](CC(F)(F)F)c1ccccc1 393755733 WWPFYWMAUCYJLZ-KGLIPLIRSA-N 271.326 4.624 30 10 CJEE C=CCCC[C@@H](C)NC1CCC(C(C)(C)C)CC1 398105957 KKRXIIMDOHIYRA-QQFBHYJXSA-N 251.458 4.926 30 10 CJEE CCCCCCCC(=O)C[C@H](C)CC(F)(F)F 402519189 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C=CCC1(CNC(=O)CCCCCC(C)C)CCCC1 1525699444 SZDRYHFACJMDLM-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCCCCCCCCNC(=O)/C=C1\CC[C@H](C)C1 1527378537 VLVIDFAOSLZWOQ-UYTDBDHRSA-N 277.452 4.766 30 10 CJEE C=CCCCC(=O)N[C@@H](CC(C)C)c1ccccc1C 1531109345 KAGYVHNLMSIIMF-KRWDZBQOSA-N 273.420 4.555 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@H](C)CCC)c1ccccc1 1533765892 FLIRCWQZNMWAAS-NVXWUHKLSA-N 273.420 4.636 30 10 CJEE C=C(C)CCC(=O)N1CCCC[C@@H]1CCCc1ccccc1 1534481111 OCMHNKUOFVHWNL-LJQANCHMSA-N 299.458 4.747 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2cc3ccccc3o2)c1 1539122156 USCQUDHRBABNKD-UHFFFAOYSA-N 291.350 4.647 30 10 CJEE C=C(C)c1cccc(Nc2ncncc2-c2ccccc2)c1 1559297464 GMMUSJVIHZRWHD-UHFFFAOYSA-N 287.366 4.920 30 10 CJEE C#CCCCCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 1559766276 DKSKDNKIWGPBOB-GOSISDBHSA-N 291.385 4.755 30 10 CJEE C=CC1(CC(=O)O[C@H](CC)c2ccncc2)CCCCC1 1584670566 XXVUDKOMAUNGTR-MRXNPFEDSA-N 287.403 4.603 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 1597308338 YUBALRMFMPKNGC-KBAYOESNSA-N 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C=C(C)CCCC[C@H](O)Cc1cccc2ccccc12 2287471208 YZUWOIXCLKAVNT-SFHVURJKSA-N 268.400 4.880 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)[C@@H](CC)CCC 2287680840 IOJFGAPFQIQAOY-OKZBNKHCSA-N 283.500 4.678 30 10 CJEE CCCN[C@](C)(C#N)CCCCSC1CC2(CCC2)C1 2288957732 XCVFRGQCPYZXAU-INIZCTEOSA-N 294.508 4.504 30 10 CJEE CC(C)(C)c1cccc([C@@H](N)CC#CC2CCCC2)c1 2289852914 VJBHTFAEFKPXFV-SFHVURJKSA-N 269.432 4.568 30 10 CJEE CC1(C)CC([C@H](O)CC#CC2CCCC2)CC(C)(C)C1 2289867296 LCWACYDEDYGADQ-QGZVFWFLSA-N 276.464 4.784 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C12CCCC1CCC2 2289879487 DSZOLUDWJNSYNQ-JLAWEPINSA-N 273.464 4.519 30 10 CJEE CCCCCCCC[C@@](C)(CCC(F)F)OCC(=O)O 2290623011 IHLGBGHZUFMAKA-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)C=CC[C@@H](CC)C1 2290899058 CRGHFXOHYZMDKU-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)c1ccco1 2291706141 FKUKOVHJEYWWOE-OAHLLOKOSA-N 282.380 4.563 30 10 CJEE C=C(CC)C[C@H](CC1CCCCCC1)OCCC(=O)O 2292135233 MITKDQFNRRVXIN-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CC1=CCCCC1)OCCN 2292751756 UYYNQLTZDQCIBP-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]1C(C)C)OCCN 2292874032 GEJXTGIRMXOLES-KSZLIROESA-N 283.500 4.763 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C1(C)CCCC1 2293580767 JIFLHYAFYXKZNA-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@](CC)(OCCCN)C1CCCC1 2293899380 UVBSRNMTXVATNS-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)C[C@@](CC)(OCCCN)C1CCC(C)(C)CC1 2294169766 IUEGCHMAGYTOOR-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C[C@@H]1CC[C@](C)(C(=O)C#Cc2ccccc2Cl)C1(C)C 2295156087 CLINUIRYRNBYPF-FZKQIMNGSA-N 288.818 4.723 30 10 CJEE CCCCCCCCC[C@]1(C)C(=O)CCN1C1CCC1 2295678084 XECFFJZMSPVNIN-GOSISDBHSA-N 279.468 4.713 30 10 CJEE C=C([C@H](N)[C@@](C)(O)CCCCCCCCC)C(C)(C)C 2295681027 CIBAZDYYHQOKDJ-WMZOPIPTSA-N 283.500 4.808 30 10 CJEE CCCCCCCCC[C@@H](C)NCCO[C@H]1CC1(F)F 2295681854 KRVBUKOQKMQUPA-CABCVRRESA-N 291.426 4.529 30 10 CJEE N#CC[C@@H]1CCC[C@](c2ccccc2)(C2CCCC2)O1 2295832496 FIILCMSNFIUISQ-ROUUACIJSA-N 269.388 4.555 30 10 CJEE C=CCC(CC=C)C(=O)c1cc2cscc2s1 2301011480 WCYFLFDAJZADBP-UHFFFAOYSA-N 262.399 4.914 30 10 CJEE C[C@@H]1CC(=Cc2cccnc2Cl)C(=O)c2ccccc21 2303184804 QOLNLNGZMSSJAT-LLVKDONJSA-N 283.758 4.509 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccccc1Cl 2304034796 GPLQVUAIBVJOOK-GJZGRUSLSA-N 251.801 4.593 30 10 CJEE CCC=CCCNc1ccccc1S[C@@H](C)CC#N 2309268208 ZKWQKBJFZUQCFG-AWEZNQCLSA-N 274.433 4.849 30 10 CJEE C[C@H]1CCC[C@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2320287630 XBHJGIMACUTSSI-LJIGWXMPSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CC1CC1)C1CC1 2320519743 APZLKAVECDGKBB-WMLDXEAASA-N 251.458 4.904 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CCc1ccc(Cl)cc1 2321103418 ZIJCGSTXBPGAFO-HZPDHXFCSA-N 265.828 4.592 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H]1CC1(C)C)NCCC 2321108404 PFUHHWAPTUHIQS-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]1C(C)(C)C)NC 2321139705 BFWQVLLGBHWISQ-AESZEHBQSA-N 251.458 4.639 30 10 CJEE C=C1CC(C[C@H](NC)c2c(Cl)cc(C)cc2Cl)C1 2327877091 ISUNRDITRQCYNJ-AWEZNQCLSA-N 284.230 4.919 30 10 CJEE C=C1CC(C[C@](C)(N)c2ccc(Cl)c(C)c2Cl)C1 2327926734 PCTPIVXYZWGYNL-HNNXBMFYSA-N 284.230 4.832 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329794827 PYHGMYOSRLELOD-QMIVOQANSA-N 267.363 4.778 30 10 CJEE CCCCON=C(C)c1ccc(-c2ccccc2)cc1 2330458643 ROFKJCIMMUTEJT-UHFFFAOYSA-N 267.372 4.894 30 10 CJEE CC(=NOCc1ccccc1Cl)c1ccc(F)c(C)c1 2330485439 NXZCUPDBVYICDO-UHFFFAOYSA-N 291.753 4.728 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCC 2330816684 QDHFHNUEMKAFDV-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H]1CC[C@@H]2C[C@@H]21 2333705962 BQQDABDEVZDPIO-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1cc(F)ccc1Cl 2338739026 RNOKMJLLVUVUHA-MRXNPFEDSA-N 281.802 4.898 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cccc2ccccc12 2338742986 AWTRBKCXGWDVNG-SFHVURJKSA-N 251.373 4.608 30 10 CJEE CCCC[C@H](CC)[C@@H](C#C[C@@H]1CC1(C)C)NCCC 2339567866 MZVMKKFFYBXGRL-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@](C)(C=O)c1ccccc1 2343370199 ZUPKJJNLFBGFGP-QGPMSJSTSA-N 258.405 4.606 30 10 CJEE C=CC[C@@H](C)[C@@](O)(CC)c1ccc(C(F)(F)F)cc1 2343779695 SBZZBTABKJWLFQ-RISCZKNCSA-N 272.310 4.515 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(F)c(C)c1 2344342176 HWMJWGOWQKMHJB-SJORKVTESA-N 263.400 4.777 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(C2(C)CC2)c1 2344345868 OZISDVPSSGATPM-IAGOWNOFSA-N 257.421 4.730 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(C)c1)NCCC 2344349432 SQKVISUEIHUMHD-DYVFJYSZSA-N 279.855 4.771 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)c(C)cc1C 2344383586 JAZGCWCXYHNNDS-QZTJIDSGSA-N 259.437 4.865 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CCC=Cc1ccccc1 2344464049 HXUYKFGNTGERQI-QZTJIDSGSA-N 258.405 4.833 30 10 CJEE CCCC1CCC(C#N)([C@H](C)C[C@@H]2CCOC2)CC1 2353288394 URJOKQAGSRURFC-GYXIZQIFSA-N 263.425 4.549 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2354142685 ZCUHIEQZQOUNBY-XYJFISCASA-N 276.468 4.655 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NCCC 2357006725 UAWFEAZFGWCDIK-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCC#CC[C@@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC 2358138091 HFKZABXMFUVQFD-AKHDSKFASA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CC[C@@H]1C[C@@H]1C)NC 2358710175 XHEYMTPJARKPHN-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE C=C1CC(CNC(C)(C)C)(C(CC2CC2)CC2CC2)C1 2360302267 PULCBTUQECIQME-UHFFFAOYSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H](C)CC1CCC1 2360310576 AVTWZOHUSADHIY-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 36790579 FGYOMLHLPMBQBU-YLFCFFPRSA-N 278.484 4.851 30 10 CJEE Cc1ccc(S[C@H]2CCCCC[C@H]2C#N)c(C)c1 37154868 CCTCTPHKSFKIJC-HOCLYGCPSA-N 259.418 4.868 30 10 CJEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C(=O)c1cccc(Cl)c1)C2 54061488 PFNYOUISAXYRQC-UJINQUNPSA-N 289.806 4.767 30 10 CJEE SCc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2 82480207 FWLAWPBVHITEIN-UHFFFAOYSA-N 298.238 4.850 30 10 CJEE CC(C)c1ccc(CC2=CC(=O)CC(C)(C)C2)cc1 87322393 CKMYAHGBOFYZDE-UHFFFAOYSA-N 256.389 4.668 30 10 CJEE C=CCOCn1c2ccccc2c2cc(Cl)ccc21 90750851 CZHGLUZAUJUYMV-UHFFFAOYSA-N 271.747 4.608 30 10 CJEE CCCCCC[C@H](C)O[C@H]1CCC[C@@](C#N)(NCCC)C1 93745081 CNKWNRRZTLWHNV-OKZBNKHCSA-N 294.483 4.566 30 10 CJEE SC[C@@H](CN1CCCCc2ccccc21)c1ccccc1 94577970 QYSGBDGZIHEXEZ-GOSISDBHSA-N 297.467 4.543 30 10 CJEE CCCC[C@@H](CC)COC[C@H](CS)C(C)(C)C 94584021 OUOSYNYRNVKIFW-ZIAGYGMSSA-N 260.487 4.812 30 10 CJEE CCCOc1ccc(OCC2(CS)CCCCC2)cc1 94584224 CNNZBDOGXZFNAN-UHFFFAOYSA-N 294.460 4.735 30 10 CJEE CCCCCCCCC[C@@H](O)COc1ccccc1 95749570 IICMGWMCYFDEND-MRXNPFEDSA-N 264.409 4.567 30 10 CJEE CC[C@@](C)(C=O)CN(C1CCCCC1)C1CCCCC1 110118271 CWPIHUQTCYPMJA-GOSISDBHSA-N 279.468 4.569 30 10 CJEE Cc1ccc(Cl)cc1Nc1cccc(Cl)c1C#N 110253505 OIIIMNMRNXPSEW-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCCCCCn1nccc1C(=O)O 112930216 BLMPEJDMEBYQAO-UHFFFAOYSA-N 280.412 4.502 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(CCC)cc1 123029673 ARCPWLMNOHCDFY-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)c2coc3ccccc23)CC1 124302332 BDYMCAUHFJZBND-MRXNPFEDSA-N 283.371 4.576 30 10 CJEE CCCCCCCCCCNC1=NC[C@H](CC)S1 125562448 YIELIGVHZWNSKZ-AWEZNQCLSA-N 270.486 4.598 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cnn(CC)c1 129109079 XTOJKGBBVCSPNC-KRWDZBQOSA-N 279.472 4.824 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC(C)(C)C1 129463405 HHLUQFQZTAUNGA-ZDUSSCGKSA-N 261.434 4.955 30 10 CJEE CCSc1cccc(O[C@@H]2CCC[C@@H](C)C2)c1C#N 136710236 WTSFCDNXJAUTJL-CHWSQXEVSA-N 275.417 4.628 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ccnn1C 143409973 UNCRIBSNPUYBBY-INIZCTEOSA-N 279.472 4.602 30 10 CJEE CCCCCCCCCCC[C@@H](O)P(C)(C)=O 147999607 YHCCLBGMRIFJSG-AWEZNQCLSA-N 262.374 4.848 30 10 CJEE CCc1ccccc1[C@H](O)C1(C#N)CCCCCCC1 156813109 SDBVKKCYBADDNZ-KRWDZBQOSA-N 271.404 4.537 30 10 CJEE C=C(C)CC[C@H](Cc1c(F)cccc1Cl)NCCC 159193352 BZWSVNABQPTMSU-CYBMUJFWSA-N 283.818 4.746 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 164007296 PCDIKLFGBSPSOS-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE C=C(C)CC[C@H]1CCCCC[C@@H]1CNC(C)(C)C 164929970 OYOBNGDKPKHINK-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cccc(F)c2Cl)C1 166806112 RVHVAWSGJHISIU-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cccc(Cl)c1F 167120189 WLNDTAUJTGZUAR-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CSc1cccc(N[C@@H](C)CCCC(C)C)c1C#N 167577755 BDWXCPKABXILOQ-ZDUSSCGKSA-N 276.449 4.907 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 184884276 KJTVNCJVZGABED-AWEZNQCLSA-N 259.393 4.659 30 10 CJEE CCCCCCCN[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 216314920 RGBQNIHNHYTZOR-YQQAZPJKSA-N 251.458 4.761 30 10 CJEE CCCCCCCN1CC=C(c2ccccc2)CC1 216795833 XOAKBNOSESJWFF-UHFFFAOYSA-N 257.421 4.746 30 10 CJEE CCCCCCCCCCCCNC[C@H](O)CC(C)C 226105819 PJAPYXZNHBSZIE-GOSISDBHSA-N 285.516 4.904 30 10 CJEE C=CCSCCN[C@@H](C)c1ccc(CCCC)cc1 231930961 WRHZNOTXXDMKIY-HNNXBMFYSA-N 277.477 4.599 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CC)CC[C@@H]1C(=O)O 233913873 YXCIERPMMFEZRJ-KFWWJZLASA-N 252.398 4.650 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 236111253 IQSIUKUAHMJAKL-QWHCGFSZSA-N 274.326 4.815 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@H]1N 250815782 JCHQGCSCCDUADM-BRWVUGGUSA-N 269.473 4.516 30 10 CJEE CCCC(F)(F)c1cccc([C@H](C#N)C(C)C)c1 259688435 ZLEBCVGIKWBEHQ-CQSZACIVSA-N 251.320 4.842 30 10 CJEE CC(C)Sc1ccc([C@H](C)C#N)cc1Br 260863753 KDYBZMKUOVCURV-SECBINFHSA-N 284.222 4.577 30 10 CJEE CC[C@H](Nc1cc(C)cc(C#N)c1)c1cccc(C)c1 308124798 XNWZMTAILPPZIW-SFHVURJKSA-N 264.372 4.738 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H]1CCC[C@@H](C)C1 311002746 NNFBMGYLKCOHJF-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE CC(C)C[C@H](C)COc1ccc(C#N)cc1C(F)(F)F 312169302 LFVZWJDEJQEDJH-NSHDSACASA-N 285.309 4.638 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC23CCCCC3)C1 312996658 SKUVTZRWOBCKQC-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCNCCOCC1CCCC1 313291495 HBLIMKQLQPBUNP-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C=CCCCCCC1(CNCC)Cc2ccccc2C1 317558666 CYQDSWTZGXDSPI-UHFFFAOYSA-N 271.448 4.518 30 10 CJEE C=C(CC)CC1(CNCC(C)C)CCCCCC1 318593092 YQFNTROBMKVFMC-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(F)c(C)c1 379910549 QNFQJDDPYWSZKS-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCC1(F)F)NN 381787400 AQMQTJOTCVKIAQ-LSDHHAIUSA-N 290.442 4.785 30 10 CJEE CC(Cc1ccc(OCCCCCC(C)C)cc1)=NO 383100859 FHRHZQVCPRYZIN-UHFFFAOYSA-N 277.408 4.674 30 10 CJEE C=CCN(Cc1cc(Cl)c(N)c(Cl)c1)C1CCCC1 383604803 CHVGJTJZSAJOEB-UHFFFAOYSA-N 299.245 4.506 30 10 CJEE CCCCCCCCCCOCCC[C@@H](C)CN 384461384 NWBJBXLNGFLVFT-MRXNPFEDSA-N 257.462 4.519 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)ccc1[N+](=O)[O-] 385089211 XRISZQLOIUYFDF-NHYWBVRUSA-N 292.766 4.511 30 10 CJEE CC(C)C(C(C)C)[C@@H](C#N)Nc1ccccc1Cl 385348431 LXVSLJSZQSHKRA-CQSZACIVSA-N 264.800 4.572 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cocc1C 385429647 DQJRSGMLELQKEU-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)C[C@@H](C)C(C)C 399407594 UUXAQEPIDGZQPM-QZTJIDSGSA-N 284.532 4.678 30 10 CJEE C=CCC[C@H](C)Nc1cc(OC)c(C(C)C)c(OC)c1 543623425 CESYAGDIUNLEOP-ZDUSSCGKSA-N 277.408 4.594 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccccc1C#N 586379521 VEDKSPCOIUMWKS-HXUWFJFHSA-N 291.460 4.558 30 10 CJEE C=CCC1(CNC(C)C)CC(C)(C)CC(C)(C)C1 688031682 GDLIYNIQEYPWOF-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE CC#CCC[C@@H](NCCC)C(CC)(CC)C(F)(F)F 690226049 HDITYPQPQYQQMI-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE CCCCCCCC(=O)[C@H]1C[C@H](C2CCC2)CCC1=O 695977805 TVUWOEXWGDQJJC-HZPDHXFCSA-N 278.436 4.702 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCCCN1C 700152624 MKTQWNDCTJHRQI-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C=C)OC[C@H](NCCC)c1ccccc1Cl 709541893 NTMNMIZABZYRQD-PBHICJAKSA-N 293.838 4.528 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CC(C)(C)OC1(C)C 711320053 FCNRWYWYLPEMBX-KEYYUXOJSA-N 263.425 4.690 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCCCC1(C)C 715759288 PECLVRNZDPODPM-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1 715796312 PFMGVCONATVFCI-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716544509 HTSJKCCEMNSQFE-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CCC2(CCC2)O1)NCC 716883634 DEEIESFPUSFWIB-IRXDYDNUSA-N 279.468 4.593 30 10 CJEE CC(C)(C)C1CCC(C=O)(C2CC3(CCC3)C2)CC1 717573218 VEDWQOGGUNRIAY-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE CCCCCCCCCc1nc(C)c(C(=O)OCC)s1 721004447 VKAUOZKGSMMXIB-UHFFFAOYSA-N 297.464 4.921 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc(C(F)(F)F)c2)CC1 724570675 GAPWAMKPKZYXFR-OAHLLOKOSA-N 283.337 4.842 30 10 CJEE C=C1CCC(CC(=O)c2cc(C)c(F)c(C)c2)CC1 724609192 RPLHYGVCLWEBCG-UHFFFAOYSA-N 260.352 4.762 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CC3CCC2CC3)CC1 821962360 CEEUOQNCDCPPDH-AWDGRILASA-N 262.437 4.988 30 10 CJEE CC(=NNc1cccc2ncccc12)C1CCCCC1 915964733 LCIMSOHREMWONS-UHFFFAOYSA-N 267.376 4.603 30 10 CJEE O=[N+]([O-])c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1083984012 CLQOXORIPRRABS-UHFFFAOYSA-N 295.125 4.652 30 10 CJEE C=CCCCC(=O)N(CC(C)C)c1ccc(C)cc1C 1130779126 UNHVGDQCEUUTEC-UHFFFAOYSA-N 273.420 4.649 30 10 CJEE 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Cc1cc(Cl)c(Cl)cc1NCC#CC(C)(C)C 2247679640 PHEKFXDWGZPDNX-UHFFFAOYSA-N 270.203 4.763 30 10 CJEE C=CCCCSc1sc(CNC(C)C)cc1C 2250062304 PGBFLCVBDJNANO-UHFFFAOYSA-N 269.479 4.613 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc(SC)c1 2259173181 TZLKKJXNADMMSN-MRXNPFEDSA-N 263.450 4.806 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)C1CSC1 2263708337 LXDJDBFYCPWFND-CABCVRRESA-N 271.514 4.857 30 10 CJEE Cc1cc(N[C@H]2CCCCC2(C)C)cc(C)c1C#N 2265860069 OJUDHYWINVFEGY-INIZCTEOSA-N 256.393 4.556 30 10 CJEE Cc1cc(N[C@@H](C)C2CCCCC2)cc(C)c1C#N 2265861340 YPWCOOTWCHRGRD-AWEZNQCLSA-N 256.393 4.556 30 10 CJEE C#CCCCCC[C@H](C[C@@H]1CCCC12CC2)NCC 2266586478 DBUDKGDYZSYKGN-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CCCCC1(C)C 2268733360 XIKNRSREDWJUDD-HNNXBMFYSA-N 260.421 4.768 30 10 CJEE CCc1cscc1[C@@H](CC=CC#CC(C)(C)C)NC 2268830658 ANXILYFRXARRHQ-MRXNPFEDSA-N 275.461 4.567 30 10 CJEE C=CCCCCCCCSCc1cc(C(=O)O)co1 2271487884 BUEGNFFDSMZGJK-UHFFFAOYSA-N 282.405 4.738 30 10 CJEE C=CCCCCCCCSCC1C[C@@H]2CC[C@H](C1)N2 2271590718 MRHMCAFTIWFQGB-ALOPSCKCSA-N 281.509 4.777 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CCC(C)(C)C 2273981827 GGNWYLXGVLQESY-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1cc2sccc2s1 2274074848 ZICWNZGSNRRQDO-CYBMUJFWSA-N 289.469 4.807 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1cc(C)cs1 2276218648 GALTZFTZLZFKAN-OAHLLOKOSA-N 281.465 4.600 30 10 CJEE C=CCCC[C@@H](OCCCN)c1cc2sccc2s1 2276903471 YXLDEAPXKDQDLY-GFCCVEGCSA-N 295.473 4.726 30 10 CJEE SCC1(Cn2nc(Cl)c3ccccc32)CCCCC1 2278827242 RCHPFNOISDGUMY-UHFFFAOYSA-N 294.851 4.570 30 10 CJEE C=CCCCCCCCCN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 2279574026 DOSZRQGJPJGHFE-SEXKYXSUSA-N 275.480 4.881 30 10 CJEE N#Cc1cc(SC[C@@H]2CC23CCC3)ccc1C(F)(F)F 2279977769 XINVTZQJTYFOMF-NSHDSACASA-N 297.345 4.859 30 10 CJEE CN(CC1CC2(CCCC2)C1)c1cccc(Cl)c1C#N 2280011519 ROEHCNCFJJFDFX-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)C1(C2CC2)CCCC1 2284072937 KGCMQWRCFKZAQV-QGZVFWFLSA-N 273.464 4.541 30 10 CJEE COc1ccc(C(=O)CC=CC#CC(C)(C)C)c(Cl)c1 2284091073 RTSXLHUKBPTOGD-UHFFFAOYSA-N 290.790 4.527 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@]1(C)COC 2284714121 VZDPOGWVXBMXCQ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C#CCCCOc1cc(C)c(Cl)cc1[C@@H](C)NCCC 2286441840 FFXLBHPXDWTBFD-CQSZACIVSA-N 293.838 4.501 30 10 CJEE C=CCC[C@@]1(C)C[C@H](NCC)c2cc(Cl)c(C)cc2O1 2286477123 CKHAOKNPKCVELA-RDJZCZTQSA-N 293.838 4.806 30 10 CJEE C=C[C@@H](C)CCN(C)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2288886521 WTOVKLBRMOIHHH-FPCVCCKLSA-N 285.422 4.592 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@]12CCC[C@H]1CC2 2288973861 DXDYQLVYHFXRAB-SCTDSRPQSA-N 273.464 4.541 30 10 CJEE CCN[C@H](C#CC1CCCC1)[C@@H]1CCC[C@H](CC)CC1 2289706806 QUYQPGNSWOYVON-QXAKKESOSA-N 275.480 4.765 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1C[C@H]1C1CCCCCC1 2289869796 UARUIHLKXRUSFP-IPMKNSEASA-N 273.464 4.504 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H](C)C1CCCC1 2289874237 KYNPUWCWNRRJJM-APWZRJJASA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1cscc1CC 2289876397 WBNQNXYOELCEFH-SFHVURJKSA-N 289.488 4.935 30 10 CJEE CCCCCCCCCCNCCC12COCC(C1)C2 2290528728 GZDLCLJOWLXHTD-UHFFFAOYSA-N 281.484 4.533 30 10 CJEE C=CCC[C@@](C)(CCC(C(C)C)C(C)C)OCC(=O)O 2291523539 ORKAXEHZJWENKW-KRWDZBQOSA-N 284.440 4.521 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)C1(C)CC(C)C1 2291559452 QLTQZRYDINTLGQ-CKDBGZEDSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CCC 2291672672 WJANLMBEMDUMFH-JKSUJKDBSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@](C)(OCC(=O)O)[C@H](C)CC(C)C 2291769173 VBHHWSLYNDNQCX-NVXWUHKLSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@@H](CCCCCC)OCCC(=O)O 2292702068 OPKWVLAQPRXNGA-MRXNPFEDSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1CCC[C@H]1C 2293179118 ZNGGYZHRISXMRS-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCCC(C)=C1C 2293367306 BZYDKBHGUROQDL-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1ccoc1C 2293719648 GNHUKTIOGQASKB-KRWDZBQOSA-N 281.440 4.745 30 10 CJEE C=C[C@@](C)(CNCC)Cc1c(C)c(C)c(C)c(C)c1C 2294726904 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C=C1CC(C[C@H](O)CCc2cc(Cl)cc(Cl)c2)C1 2318639627 REXAVNDLVWOJTN-OAHLLOKOSA-N 285.214 4.643 30 10 CJEE CC1(C)CCC(OC[C@](C)(CS)C(C)(C)C)CC1 2327166342 RRUUYWYTDBSLHL-MRXNPFEDSA-N 272.498 4.954 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C[C@@H]1C[C@H]1c1ccccc1 2332825799 PEYFPXCLQQGSAE-LEUOFYLZSA-N 253.389 4.900 30 10 CJEE CCCCCCCCCC[C@@H](O)C#CC1(SC)CC1 2336190727 UEWHRFLJWWEOBJ-MRXNPFEDSA-N 282.493 4.777 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](CC(C)C)C1 2337111657 OBVHZKFCUFLXRY-MLHJIOFPSA-N 263.469 4.926 30 10 CJEE CCCCCCCCC[C@H](C#CC1CCC1)NCC 2337439960 STEUWGQOZBAHNU-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(F)ccc1C(F)F 2338252355 JUNLPRHTYKWXOO-CQSZACIVSA-N 271.326 4.770 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)ccc1C(F)F 2338287418 KNAMADNPOWYHLX-CQSZACIVSA-N 271.326 4.900 30 10 CJEE CC(=CC[C@@]1(C#N)CCCCC1=O)CCCC(C)C 2338437051 RXEYVFDLCFJDDD-QGZVFWFLSA-N 261.409 4.802 30 10 CJEE C=CCC(CC=C)N(C)[C@@H]1CCC[C@H]2CCCC[C@H]21 2338667129 PWCULINPHIPUBG-KBAYOESNSA-N 261.453 4.798 30 10 CJEE C=CCC(CC=C)C(=O)c1c(C)oc2ccccc12 2338692810 GSZQEPIUVRUCNS-UHFFFAOYSA-N 254.329 4.692 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C1 2339021373 BKOWSPMIXQCKBX-FPSMNIFISA-N 262.437 4.988 30 10 CJEE Cc1cc(C#N)ccc1OCCCC1=CCCCC1 2340984335 ZYKLZDBDZYZSKW-UHFFFAOYSA-N 255.361 4.526 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(CC2CC2)c1 2341921381 FOYNZQVRINIZHN-GOSISDBHSA-N 257.421 4.646 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)NCCC 2344372516 SLQMQZGXPYITKN-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@](C)(CC)CC=C 2344375350 BSRLEBBVZUORJI-SJORKVTESA-N 266.473 4.727 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1F 2344396023 LOGQQDSXOBUTCE-UHFFFAOYSA-N 274.257 4.630 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@H]1c1cccs1 2352168908 NCHAZCAOMHNAKX-XJKSGUPXSA-N 297.533 4.867 30 10 CJEE C[C@H](N(C)C[C@@](C)(CS)C(C)(C)C)C1(C)CCCC1 2352303233 FRIWZATZMHYOOK-YOEHRIQHSA-N 285.541 4.869 30 10 CJEE CC[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@](C)(CS)C(C)(C)C 2352320453 XSWDSXUVRBKFOO-PNBKFKSVSA-N 283.525 4.622 30 10 CJEE C=C1CC([C@@H](NCC)c2cccc(SC(C)C)c2)C1 2352884853 HEPSUEGOIPSENR-KRWDZBQOSA-N 275.461 4.804 30 10 CJEE C=C[C@H](C)C[C@H](N)CC1CCC(CC(F)(F)F)CC1 2353167671 ZYMFHFNQJCHONE-ABXWRUBCSA-N 277.374 4.675 30 10 CJEE C=CCOc1ccc([C@H](O)C[C@@H](CC)CCC)cc1 2353458959 XKFASMQTGBJBLD-WMLDXEAASA-N 262.393 4.501 30 10 CJEE C=CCC(CC=C)Oc1c(C)sc(CNC2CC2)c1C 2360214575 JXLOICPIILRETL-UHFFFAOYSA-N 291.460 4.517 30 10 CJEE CC(C)N[C@](C)(C#N)C[C@H](C)SC[C@H]1CC[C@H](C)CC1 2360512657 MCJFASNPJOHALG-QAETUUGQSA-N 296.524 4.605 30 10 CJEE CC/C=C/C[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 1532896 PMTMAFAPLCGXGK-SULOOQPXSA-N 292.419 4.529 30 10 CJEE in-vivo CC[C@H](C)c1ccc(NCc2ccc(C#N)cc2)cc1 35018707 UUKPDEAQWPRENG-AWEZNQCLSA-N 264.372 4.684 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1scnc1C 37766656 SLZPPKFKLWTCTB-LBPRGKRZSA-N 290.457 4.903 30 10 CJEE CC[C@@H]1CS/C(=N\c2cccc(Oc3ccccc3)c2)N1 44483260 VLBFVQNNNYDRGK-CYBMUJFWSA-N 298.411 4.581 30 10 CJEE CCC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 49541764 JCEFKQIXGXTPET-CZUORRHYSA-N 284.428 4.812 30 10 CJEE Cc1ccc(Cl)c(OCC[C@H](C#N)c2ccccc2)c1 57684689 ZWNUSUIQMBPUIS-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE C=C(C)CSc1ccc(C(=O)C(CC)CC)cc1 58016769 UTWWMSHRHFVQTQ-UHFFFAOYSA-N 262.418 4.974 30 10 CJEE CCCCCCCCCN(CCCN)c1ccc(C)cc1 59203597 SEPDZAKKJJHIOZ-UHFFFAOYSA-N 290.495 4.901 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCc2sccc21 61364104 ZFKUYIZEQLMJHD-CQSZACIVSA-N 288.803 4.763 30 10 CJEE C[C@H]1CCC[C@@H](Sc2cc(C#N)c3ccccc3n2)C1 68796838 ZYZIBLDCTLGCJL-GXTWGEPZSA-N 282.412 4.777 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 69234514 VJJVJYXKHADODQ-LLVKDONJSA-N 284.325 4.814 30 10 CJEE C=CC[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 72262774 LQWXKJWWSLKPPP-INIZCTEOSA-N 280.396 4.972 30 10 CJEE CCCOc1ccc(-c2nc(C(C)C)c(C#N)s2)cc1 82431192 SMUUZWKBHJRSFL-UHFFFAOYSA-N 286.400 4.594 30 10 CJEE CC(C)n1nc(-c2ccc(F)cc2)c2c1CCC[C@@H]2CC#N 82825899 BXAWJNZROOSQFF-CYBMUJFWSA-N 297.377 4.604 30 10 CJEE CCCC[C@H](CC)COc1c(C)cc(C#N)cc1C 88154464 WPCSVDQTUYLAAT-HNNXBMFYSA-N 259.393 4.770 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)C1CCCCCC1 89561108 DOEVWZNYQZRFTG-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE CC[C@H](C)C[C@@H](C#N)N=C(c1ccccc1)c1ccccc1 90372975 UJKFTLCAIIOUHN-LPHOPBHVSA-N 290.410 4.852 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2c(C)cc(C)cc2C)C1 91882162 DHUKZVSHDONHNQ-QRQLOZEOSA-N 285.431 4.755 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Sc1ccccc1Cl 93955898 IMDZVCJDMNGHCO-ZWNOBZJWSA-N 251.782 4.514 30 10 CJEE C[C@H](CCS)CCOc1cccc2ccccc12 94583015 DGWOWNNPDUPLPI-ZDUSSCGKSA-N 260.402 4.565 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(Br)c1 97208474 CGSNPHVHGPANRN-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2ccc(C)c(C)c2)cc1C 103030537 GIBVOUWJSUXQEQ-KTKRTIGZSA-N 279.383 4.729 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(OC)c(OC)cc1Cl 107677476 HOHLWBLGOUQHIP-NEPJUHHUSA-N 280.795 4.510 30 10 CJEE CCCCCCCCCCOc1ccc(F)cc1N 109686112 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30 10 CJEE CCCCCCCCCCOCCC[C@@](N)(C#N)CC 2239500912 FDAMYECMQZFUQD-QGZVFWFLSA-N 282.472 4.555 30 10 CJEE C=C[C@@H](CCCCC)O[C@]1(C(=O)O)CCCC(C)(C)C1 2239501841 HONBSTYUYAEBLP-WMLDXEAASA-N 282.424 4.562 30 10 CJEE C=CC[C@H](C)Oc1c(C)cc(CN[C@@H](C)CC)cc1C 2240234834 NSDDIBVJFXEYBU-HOTGVXAUSA-N 275.436 4.535 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCC1(F)CCC1 2240640526 RBTHUGVVDKRECK-MRXNPFEDSA-N 286.431 4.730 30 10 CJEE C=C[C@H](C)C[C@H](O)c1cc(Cl)c(Cl)cc1C 2243864936 SZBJJPJQSNXCQV-SDBXPKJASA-N 259.176 4.547 30 10 CJEE C=C(C)CCCC[C@@]1(CNCC)CCC[C@@H](C)C1 2259176778 QOPZMYDGGGTDJG-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCCCCCCOc1c(Cl)cc(CN)cc1Cl 2264154672 MWTFOSLWRLEYNI-UHFFFAOYSA-N 290.234 4.801 30 10 CJEE Cc1cc(N[C@H]2CCCCC[C@H]2C)cc(C)c1C#N 2265856670 GQICJBSIYSGHKV-PXAZEXFGSA-N 256.393 4.556 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2CC(F)(F)C23CCC3)C1 2266258680 BXBHZEMMCSEXBW-HZSPNIEDSA-N 267.363 4.922 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccoc1Cl 2268813894 QNUAMYUXJAACAZ-AWEZNQCLSA-N 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299.805 4.801 30 10 CJEE CCCCCCCCC/C(=N\N)NC1CCCCCC1 115861948 KCAQXFICIREPEN-UHFFFAOYSA-N 281.488 4.712 30 10 CJEE CCCCCCC[C@H](Cc1ccc2ccccc2n1)NC 116000613 YOHGTOJIZMUOBZ-QGZVFWFLSA-N 284.447 4.726 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)[C@@H](N)c1ccccc1 122805217 KANHRPWWKZGVPN-CRAIPNDOSA-N 275.436 4.642 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCO[C@H]1C 125081013 ZETGRWCDBQTFAE-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](C)CCOC 128654862 HFJCMDJIKADPGE-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CC(C)(C)OC1(C)C 133252193 XOYWCJDTLZWPGC-GJZGRUSLSA-N 269.473 4.529 30 10 CJEE CSc1cccc(N(C)C2CCC(C)(C)CC2)c1C#N 136683408 JXACIVCTSNXCEF-UHFFFAOYSA-N 288.460 4.685 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C)nnc1CC 140344144 AJSSQBBXKCNKHF-GOSISDBHSA-N 291.483 4.749 30 10 CJEE C=C(CNc1c(CC)cccc1CC)c1ccccc1 148034042 SGCJKPMRXZMGCW-UHFFFAOYSA-N 265.400 4.937 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(F)c1F)NC 148702181 XEDSJKIDDDIABH-OAHLLOKOSA-N 283.406 4.846 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)C 156069849 MDEMFKHVVBDJFH-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE N#CC1([C@]2(O)CCC[C@H](C3CC3)C2)CCCCCCC1 156818772 MEEDHPIVMUOBHY-WMZOPIPTSA-N 275.436 4.572 30 10 CJEE C=CCC[C@@H](NCc1cnc(C2CC2)s1)c1ccccc1 158820512 QNCPHSHSOYSBNL-QGZVFWFLSA-N 298.455 4.818 30 10 CJEE C=C[C@](C)(CCCCCCCCCC)CNCCOC 159010948 ZTYBJJFNBSTNGW-GOSISDBHSA-N 283.500 4.946 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 164017897 UZEWUKYFWQXTNR-WCQYABFASA-N 296.336 4.958 30 10 CJEE C#CC1(OC(=O)Nc2ccc3ccccc3c2)CCCCC1 197732821 JMFOJGJGUWVBKM-UHFFFAOYSA-N 293.366 4.724 30 10 CJEE C=CC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 212284755 GIQSKTZRGIEJFJ-BBWFWOEESA-N 265.485 4.887 30 10 CJEE CC(C)CC1(CNc2cc(F)cc(C#N)c2)CCCC1 227623901 ZBQPJYFTCNTGFH-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE CCCCCCC[C@@H](NN)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 228767573 FBJWJLPCUOJSCL-UPMGZUDPSA-N 292.511 4.785 30 10 CJEE CC(C)(C)c1ccc(Nc2nccc(C#N)c2Cl)cc1 232521495 DKOZYBUOKVWQHO-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE C=CCN(c1ccc([C@@H](CC)NCC)cc1)C(C)(C)C 233584743 OQPCAUOKAHNMHY-QGZVFWFLSA-N 274.452 4.538 30 10 CJEE C=CCCCCCC(=O)c1ccc(C)cc1Cl 235785185 GTXVOKYDZDTHTE-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(OC(F)F)cc1 236121655 XASIQROOURXAPN-UHFFFAOYSA-N 280.314 4.751 30 10 CJEE CCCCCCCCN[C@@H]1C[C@H](OCC)[C@]1(C)CC 252705704 RBRNVFJOLRHBHH-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CCCC(F)(F)C1 302470110 ZNPGSKUNVWJAQY-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC(F)(F)C1)NC 306038229 SVKRZWGEKSYXJV-KBPBESRZSA-N 261.400 4.760 30 10 CJEE O=C(C1=CCCC1)c1ccccc1OCc1ccccc1 309754295 AYVFFJSJBMQVAG-UHFFFAOYSA-N 278.351 4.559 30 10 CJEE CCCCCCCC[C@H](CC1(CC)CCC1)NN 310804461 HMILKCJSIUYFPP-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCC[C@H]1NC(=O)C12CCCCC2 311411607 IRGXAWYMGYZHIU-OAHLLOKOSA-N 265.441 4.576 30 10 CJEE C[C@@H]1CC[C@@H](CNC(C)(C)C)[C@@H](CC#CC(C)(C)C)C1 312216303 VOOQBIZUEDJYHT-IKGGRYGDSA-N 277.496 4.867 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1c(C)cccc1C 312358282 VWJCJCYZZNSSJG-KRWDZBQOSA-N 271.448 4.784 30 10 CJEE CC1CCC(C=O)(Cc2cc(Cl)ccc2Cl)CC1 317296374 SXAWBGLUSBWKSK-UHFFFAOYSA-N 285.214 4.931 30 10 CJEE C=CCC[C@H](CO)NC1CCCCCCCCCCC1 321107407 NPEQFMHIRRKVCU-GOSISDBHSA-N 281.484 4.576 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cscc1Br 380023605 XPXPOCBKGHBMOT-NXEZZACHSA-N 288.254 4.516 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCOc3ccccc32)C1 380049105 BUSQUGLHYXBFET-VKJFTORMSA-N 269.388 4.663 30 10 CJEE CC1(C)CCC(C#N)(c2ccc(C(C)(C)C)cn2)CC1 380454168 FSARWGBUNIEHRS-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE N#CC[C@H]1CCC[C@H](c2c(Cl)cccc2Cl)O1 383569422 BXTZJXGDNQMMOW-BXKDBHETSA-N 270.159 4.517 30 10 CJEE CCCCCCC[C@@H](NCC)c1sccc1F 383651237 HMNKTBHRYXIKIY-CYBMUJFWSA-N 257.418 4.898 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)C2CCC(C)(C)CC2)C1 383962188 CHKBZXASWXDWND-UWWQBHOKSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C1(O)CCC(C(C)(C)C)CC1 385102838 BEMWJUGQRXJJRY-JOKDJRIQSA-N 277.452 4.674 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1cc(Cl)ccc1Cl 387090972 AUQJYQFDHVIMJN-GFCCVEGCSA-N 286.246 4.726 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)[C@@H]2CCCC[C@H]2C)CC1 394857138 OJKFFPNCCGOVKS-DPKKHUKBSA-N 277.452 4.530 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1nc2ccccc2s1 394961534 NQWYHVTVDAVNOE-WBMJQRKESA-N 270.401 4.559 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)C(C)(C)C 397485630 BGGLYSQNUZHQKP-OCCSQVGLSA-N 278.827 4.519 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(OCCC)cc1 398068665 KXVQPVXZVPSHAL-HZPDHXFCSA-N 275.436 4.871 30 10 CJEE CC[C@H](OCCCCCCS)c1ccccc1 403308505 QZJUEVYCSMALST-HNNXBMFYSA-N 252.423 4.645 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccc(Cl)cc2)c(Cl)c1 404764212 UPHFOJOHZHAZDT-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(C)c1F 410382361 ZKPSQTKHBMYJHQ-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=CCC[C@H](Nc1cccc([C@H](C)OC)c1)C1CC1 537534230 WQJBWVLERBRHNN-GUYCJALGSA-N 259.393 4.551 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CCC[C@H](OC)C1 686350440 VUDZNSASLUICGL-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CC[C@@H](/N=C1/NC2(CCCCC2)CCS1)C1CCCC1 687317934 BAAWGPDPYWOWGO-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE C=CCC1(Nc2cc(C(C)C)nc(Cl)n2)CCCC1 690732208 WBJLFUJSOMGVPK-UHFFFAOYSA-N 279.815 4.554 30 10 CJEE CCCCCCCCCC1(O)CCC(OCC)CC1 691189142 CWSXQOHTLWCCQG-UHFFFAOYSA-N 270.457 4.837 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCc2cc(F)ccc21 692215306 OSAQUZFXQYPOMF-XWIAVFTESA-N 273.395 4.538 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CCOC1(C)C 693231418 KLCZGBWZMBWQCQ-GOSISDBHSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@]1(CNCCOC)C[C@H]1C 703379135 YCGQPSOIMRBOBA-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCC[C@@]1(N)CO[C@H](C(C)C)C1 704864056 JONYQWCWJFZMJG-IRXDYDNUSA-N 269.473 4.660 30 10 CJEE CC(C)c1ccc(C#C[C@H](N)C(C)(C)C)c(C(C)C)c1 705279544 XPDFQXVIDDCOFE-SFHVURJKSA-N 271.448 4.658 30 10 CJEE CCC(CC)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708028780 KRVFRUWZFAZPSR-ZDUSSCGKSA-N 255.283 4.749 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 714263052 VLEANSCACFDAKC-LZLYRXPVSA-N 268.404 4.638 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cccc(Oc2ccccc2)c1 715029092 OGIUCCOZAIEWKD-KSSFIOAISA-N 268.356 4.725 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(F)ccc(C)c1F 715813253 KAJTXJTZYMWYND-WBMJQRKESA-N 267.363 4.526 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccc(C)c(C)c2)NC)CC1 724549586 HBDNQRUIEKLOJO-IBGZPJMESA-N 271.448 4.570 30 10 CJEE C=C1CCC(CNc2cc(F)cc(Cl)c2)CC1 724550582 SWFZMSMHLFMSQR-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(CCC[C@@H](NCC)C(C)(C)C)CC1 724589173 AQKRVCRCXMMBCI-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@]23CCC[C@@H]2C3)CC1 724616140 JDGRXXGKPJCJKW-SQNIBIBYSA-N 261.453 4.681 30 10 CJEE N#CCc1ccc2c(OC(F)(F)F)c(Cl)sc2c1 725286712 NMBASJPFUZUXCO-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE O=C1/C(=C\c2ccc(Cl)cc2Cl)Nc2ccccc21 1088708731 ZBQRVTYJVHFANM-VGOFMYFVSA-N 290.149 4.643 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H]1CCc2cc(Cl)ccc21 1127716539 SSBZCIVJHBHVNA-INIZCTEOSA-N 290.790 4.639 30 10 CJEE C=C[C@H](CC(=O)N[C@H](CCC)C1CCCC1)c1ccccc1 1129637712 IDFPOUPHPCEINV-VQIMIIECSA-N 299.458 4.821 30 10 CJEE C=CC1CCN([C@H](CC)c2ccc(Cl)cc2)CC1 1167401624 BPHJOBUAKZYIEP-MRXNPFEDSA-N 263.812 4.689 30 10 CJEE C=CCCCN1CCC(c2ccccc2C(F)(F)F)CC1 1168134975 SEJLMICFHMVGJO-UHFFFAOYSA-N 297.364 4.851 30 10 CJEE C=C(C)CCN(CC(C)C)[C@H](C)c1ccccc1C 1170245093 RTPPKKSDPXFVEG-QGZVFWFLSA-N 259.437 4.980 30 10 CJEE C=CCCCCC[C@@H](C)Nc1nc(C)ccc1CC 1182872544 DJWLHYRWSHLXNP-CQSZACIVSA-N 260.425 4.889 30 10 CJEE C#C[C@@H](CCC)NC(=O)Nc1cccc(C2CCCCC2)c1 1219599231 QIYSRGMGQWAGPE-KRWDZBQOSA-N 298.430 4.658 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 1264286039 XNSNPOJIZIIBEW-GVDBMIGSSA-N 289.463 4.598 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1274904021 DRLLJIXMTFVUTM-JKSUJKDBSA-N 281.484 4.948 30 10 CJEE N#CCc1ccc(CSCC2CCCCC2)cc1 1307292439 GQIRKLFAEJJCPA-UHFFFAOYSA-N 259.418 4.566 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(C3CCCC3)cc2)C1 1307871629 FGTZOPXEYUYXHN-QGZVFWFLSA-N 281.443 4.580 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CC)CCC(F)(F)F 1308928998 VYZOZLJAZLVFOA-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=CCC[C@@H](NC(=O)C(F)=C1CCCC1)c1ccccc1 1357218368 BYRKRQYZGUOEHP-MRXNPFEDSA-N 287.378 4.608 30 10 CJEE C=CCC[C@@H](NC(=O)C1CCC=CCC1)c1ccccc1 1357218411 CLPSWVHZWWOTBP-GOSISDBHSA-N 283.415 4.557 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(C(F)(F)F)c(C)c1 1361068304 JTHKEKHXKXSIDF-UHFFFAOYSA-N 297.320 4.536 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)s1 1439848330 RLJAYVZHKDIJHE-CYBMUJFWSA-N 291.460 4.616 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccsc2C(F)F)c1 1439933512 WLXDAZAPKLJNGA-UHFFFAOYSA-N 293.338 4.971 30 10 CJEE C=C(CC(C)C)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 1444749933 KRVHPAJHSGENHL-OALUTQOASA-N 299.458 4.692 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1447810074 OCCMJBNLIUKPKA-HZPDHXFCSA-N 279.468 4.700 30 10 CJEE N#Cc1ccc(OCCCSCC2CCCCC2)cc1 1458936134 WHIUJELKCJTDQP-UHFFFAOYSA-N 289.444 4.641 30 10 CJEE C=C(CC)CN[C@@H](CC(C)C)c1ccccc1OCC 1459818853 UNBZIYXEVUQDFS-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C#CCOc1ccc(CNc2cccc3ccsc23)cc1 1461369423 MCAAZBXSADAARL-UHFFFAOYSA-N 293.391 4.525 30 10 CJEE C=CCC(C)(C)CNc1nc2cc(C)ccc2s1 1472791225 CEBYFHSKWNWAIA-UHFFFAOYSA-N 260.406 4.619 30 10 CJEE C=CCC1(NC(=O)NC2CCC(C)(C)CC2)CCCCC1 1478000266 ZUJVWEANNCTCAC-UHFFFAOYSA-N 292.467 4.533 30 10 CJEE C=CCC[C@@H](C(=O)N1CC[C@H](C(C)(C)C)C1)c1ccccc1 1519881739 WAPCGOIXHILPML-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 1519989756 QEPKJUXZOHVZPN-AEFFLSMTSA-N 287.447 4.677 30 10 CJEE C=CCC(CC=C)C(=O)NC1CCC2(CCCCC2)CC1 1523012779 MWFUHCGLDDZMTN-UHFFFAOYSA-N 289.463 4.764 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1cc(Cl)cc2ccccc12 1524815162 ICXBSMRXXGCIOC-CQSZACIVSA-N 287.790 4.578 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccc(C=C)cc2)CCCC1(C)C 1524930743 KHVVOJCNTYZGGQ-QGZVFWFLSA-N 283.415 4.537 30 10 CJEE C=CCCCCCCCNC(=O)c1coc2c(C)cccc12 1527550204 ZOIFHSUHOVEAKC-UHFFFAOYSA-N 299.414 4.998 30 10 CJEE C=C[C@H](OC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 1528632825 ZCIGHHCDUIWSKX-HNNXBMFYSA-N 290.721 4.563 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@@H](C)CCCc1ccccc1 1533391667 MTQCXQPGQNPTPG-INIZCTEOSA-N 287.447 4.506 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 1534846067 ZGJWUILNTKRESU-LSDHHAIUSA-N 273.420 4.675 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](CC)CC(C)C)CCCC1 1538899207 FWQILNOIWFQMJJ-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=C(C)CCN1CCC[C@@H]1c1cccc(Br)c1 1559489440 RIHWDBHXZGUJRE-OAHLLOKOSA-N 294.236 4.552 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCCC[C@H](c3ccccc3)C2)CC1 1560577637 KHMDUCOHFGBTHT-ZIBCJSCZSA-N 295.470 4.885 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H]1CCCC1(C)C 1560849844 YYHNICFFKKTLES-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN[C@H](C)C1CC(F)(F)C1 1560871210 AJDZYDNOGWEQET-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2ccc(C(C)(C)CC)cc2)C1 1583961037 NTVOMJFEIFYRRR-INIZCTEOSA-N 299.458 4.803 30 10 CJEE CSc1ccccc1CSc1ccc(C#N)cc1F 1613565504 DOMKUUWNVLCAHA-UHFFFAOYSA-N 289.400 4.712 30 10 CJEE Fc1cccc(C#Cc2cc(Cl)ccc2Cl)c1F 1614827191 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CCC[C@](C)(C#N)[C@](C)(O)c1ccc(C(C)(C)C)cc1 2164475306 MOBDZWSTDVKMGF-QZTJIDSGSA-N 273.420 4.522 30 10 CJEE C=C1CC(CNCCC)(Cc2cc3ccccc3s2)C1 2164994646 UFDDOELUBJTWGF-UHFFFAOYSA-N 285.456 4.780 30 10 CJEE CCCCCCCCCCCCOC[C@]12CNC[C@H]1C2 2165460331 RRHDKVZLDNKXBI-MSOLQXFVSA-N 281.484 4.533 30 10 CJEE C=CC1(C[C@]2(N)CCCC[C@@H]2c2ccccc2)CCC1 2168027022 AFMNAVXACAWFSL-IEBWSBKVSA-N 269.432 4.788 30 10 CJEE C=CC1(C[C@@H](NCCC)C2C[C@H]3CC[C@H](C2)C3)CCC1 2168029831 ZUEPNMSMCLFRPL-XYJFISCASA-N 275.480 4.927 30 10 CJEE CC(C)[C@](O)(c1cccs1)[C@@]1(C#N)CCCC(C)(C)C1 2168543561 YPACHIWMZNJEKX-IRXDYDNUSA-N 291.460 4.702 30 10 CJEE CCCCCCCCC(=O)[C@H](O)[C@@H]1CCCC(C)(C)C1 2168609237 OTFIGLGEJHPXPD-NVXWUHKLSA-N 282.468 4.883 30 10 CJEE CC[C@@H]1C[C@H](C)SC(=N[C@H](C)[C@@H]2CCCC(C)(C)C2)N1 2168631649 XWDPNPVOHSTGFO-GBJTYRQASA-N 296.524 4.841 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](NC)[C@@H]1C 2171987729 JGWZKKWLQWWGIN-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C#CCCCC[C@]1(CNCC(C)C)CCCCC12CC2 2173594916 SWTZBBNYGQOJEP-LJQANCHMSA-N 275.480 4.766 30 10 CJEE CC1(C)C[C@H](C[C@@]2(C=O)CCCCC23CC3)C(C)(C)O1 2173678397 VZCURWQJEQNDEQ-RDTXWAMCSA-N 278.436 4.510 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CC[C@H](OCC)C1 2174833110 QNLXFUZKWYWERC-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CC(C)N[C@]1(C#N)C[C@H](C)C[C@H](SC2CCCCC2)C1 2175407282 ANZXVXGDNLDZDH-HYVNUMGLSA-N 294.508 4.501 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@@H](NCC)C[C@@H]1OC 2176030349 YHCHHTDZMZLPOP-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](NN)C1(CC(F)(F)F)CC1 2176724195 KRZAIFYZOMEWMB-ZDUSSCGKSA-N 294.405 4.692 30 10 CJEE C[C@H]1CCC[C@@H](CNc2cc(Cl)c(C#N)cc2F)CC1 2177390039 UKZGPQMQSFYBIV-NWDGAFQWSA-N 294.801 4.979 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc2c(c1F)CCC2 2178072266 PDIDFVSIPPHSHD-GOSISDBHSA-N 278.411 4.882 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CCc2ccccc2C1 2178392732 LBXNEPVSPDRXDA-VQIMIIECSA-N 273.464 4.869 30 10 CJEE C#CC(C)(C)CC(=O)c1ccccc1-c1ccccc1 2179264823 WDLNWBKZDQCTKH-UHFFFAOYSA-N 262.352 4.586 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CC(C)(C)CC 2182267177 HJSPAGYPVUUGEH-QGZVFWFLSA-N 284.532 4.822 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@]1(C=O)CCCC(F)(F)C1 2184846943 ZORIOFHXQINRSO-RZLSGREXSA-N 284.390 4.843 30 10 CJEE CC(C)(C)C#CCNC1CCC2(CCCCCC2)CC1 2185829240 XODGOSMDYLKPAS-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(C(C)(F)F)n1 2185928912 NTRNVIVERQBERK-CYBMUJFWSA-N 284.394 4.814 30 10 CJEE CCCCCCC[C@H](NC)c1nc(C)nc2sccc12 2189162512 OMICLQBMXHYEAN-AWEZNQCLSA-N 291.464 4.621 30 10 CJEE C=CC1(Cn2c(S)nc3ccc(C)cc32)CCCCC1 2189596625 GVFUVKFIOVHNMT-UHFFFAOYSA-N 286.444 4.770 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1COC 2190020568 QZNLJDXGGKLLKN-KURKYZTESA-N 283.500 4.778 30 10 CJEE C=CCC[C@H](C)N(C)c1ccc(C#N)c2ccccc12 2190851727 GMQCRCIVBAXWRE-AWEZNQCLSA-N 264.372 4.502 30 10 CJEE CCCC1CCC(CN(C)[C@H]2CCCC[C@H]2C#N)CC1 2192829315 PEYWUROGENGQFM-FOIPXRHGSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](COC)C1 2195914157 BCGUTSZNPXJYQI-SFHVURJKSA-N 283.500 4.876 30 10 CJEE CCCCCCCCCCCCN1C[C@@H]2COCC[C@H]21 2195914727 AJDLWQSAENITMG-QZTJIDSGSA-N 281.484 4.628 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCC[C@H](NCCC)C1 2196726850 NLYDJHZTYAFZDC-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=C(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 2197144943 BHDMYAHDLCAKSS-RCCFBDPRSA-N 268.400 4.875 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@H]3CCCC[C@H]32)c1 2201122344 LMWNIVQVCSNEEZ-NXHRZFHOSA-N 268.404 4.660 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2203829134 UNJGAPYFPAYCQL-MANSERQUSA-N 275.480 4.765 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)c1nnc(C2CCCCC2)s1 2205071644 MRJOICDTYGQWTP-MLGOLLRUSA-N 289.448 4.557 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)C[C@H](C)CC(C)(C)C1 2206894358 JCDYEKGFPGALAY-QAPCUYQASA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC(=O)[C@]1(O)CCCC[C@@H]1C(C)C 2206895367 UBXHIBAFVOOEAW-AEFFLSMTSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CCCC2(CCC2)C1 2206899624 YTXMKPTVZNFYQZ-GOSISDBHSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCCCCN(C)C[C@]1(C)CCOC1 2207373065 IRILJKVWFGGRQS-SFHVURJKSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@]1(C)CCCS1 2207373145 JHUXCBHUZZELCG-IRXDYDNUSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]1(O)CCCS[C@@H]1C 2207379918 UFWWNOHLOQLLEM-NVXWUHKLSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCN(CCOC)[C@@H](C)C1CC1 2207381180 GNIRVBCZUXWIRX-KRWDZBQOSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccnnc1C 2207429755 MUMPKVXYUXIQGE-KRWDZBQOSA-N 276.424 4.515 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1cscc1OC 2207432863 TUMLWEMOTFXLBB-OAHLLOKOSA-N 296.480 4.568 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1cncc(F)c1 2207438802 URXQWOIZXRDMTR-QGZVFWFLSA-N 279.399 4.951 30 10 CJEE C=CCCCCCCCC[C@@H](NN)C(C)(C)C1CCC1 2207442356 QFKSDLYOCDKRGW-QGZVFWFLSA-N 280.500 4.951 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CC1(CCC)CC1)NC 2207452819 HWNNXBJTMLNSMF-SJORKVTESA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CC(C)(C)C(F)(F)F 2207469894 PEJNPPIOCWCRRU-GFCCVEGCSA-N 296.373 4.646 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](SCCCCC2CC2)C1 2214557724 VPNYYXTXBHYYAQ-YUELXQCFSA-N 251.439 4.628 30 10 CJEE C=C(Cl)C[S@](=N)(=O)CCCCCCCC1CC1 2216956428 OKPYNOYINSYKLD-QGZVFWFLSA-N 277.861 4.536 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccsc1 2217315215 VMRJTCKYNXKUOW-CQSZACIVSA-N 253.455 4.977 30 10 CJEE C=CCC[C@H](NCCC)c1cc(F)c(C)cc1Cl 2217592331 UYSRMVDCTWSYIK-HNNXBMFYSA-N 269.791 4.794 30 10 CJEE C=CCCCCCCC[C@](C)(N)C[C@@H](C)C(F)F 2220084303 JBGCALCJZOXOHM-HIFRSBDPSA-N 261.400 4.912 30 10 CJEE CCCCCCCCC(=O)c1cc(C)c(Cl)cn1 2223911444 YZINANRIRHEVRT-UHFFFAOYSA-N 267.800 4.977 30 10 CJEE N#CC1(C[C@@H]2CC[C@@H]2C(F)(F)F)C[C@@H]2CC[C@H](C1)S2 2224441544 KJVGBPUPNKVTLC-GCFWVWJCSA-N 289.366 4.533 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(Cl)ccc1C 2225437764 YTONBDFTIUYRKT-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE CCCCCCCC(=O)Nc1ccc(C)c(O)c1Cl 2229905523 PCNALGRDTRLJBB-UHFFFAOYSA-N 283.799 4.653 30 10 CJEE C=CC[C@@H]1CCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2230645791 YKEPWNIQPQGMPX-XMTFNYHQSA-N 261.453 4.633 30 10 CJEE CCCCCCCCCOC[C@@H]1NCCC[C@@H]1CC 2231015434 QAIZWQNTZDOBFK-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCO[C@@H](C(=O)O)C(C)C 2231026868 TXBMFVVJKWFGJB-OAHLLOKOSA-N 272.429 4.643 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cccc(F)c1Cl 2231511094 KTVQVSVLQQAPBE-MLGOLLRUSA-N 283.818 4.602 30 10 CJEE C=C([C@@H](NCC)c1ccc2occc2c1)C(C)(C)C 2232381311 JHECRRPFEPADDB-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE CCCCCCC[C@](C)(N)c1nc(C)nc2ccsc12 2232671732 MPSAFUSJXSESNW-INIZCTEOSA-N 291.464 4.534 30 10 CJEE CC1(C)COCC[C@]1(C#N)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2233711427 UJANSKAPVKFOGC-KYHPRHEASA-N 275.436 4.549 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@@H](SCCCCC2CC2)C1 2235464409 OEQHFXDYIOCMNB-IAGOWNOFSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H]1C[C@@H](C)CO1 2235513160 IRNHQAIXQCLNIH-FGTMMUONSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](COCC1CC1)NCCC 2235520994 FJYQPDHNQWLHID-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)[C@@H](C)CC(C)C 2235521640 LBCXWDXTBDWVOU-BZSNNMDCSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCN[C@H](C)c1ccccc1OC 2235522070 PPIHNPGGMVXSGN-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccccc1OC 2235531562 AFOKQSZBBDYAIO-QGZVFWFLSA-N 275.436 4.872 30 10 CJEE C=CCCCCCCCOc1cccc(Cl)c1CCN 2235533651 UWHZHNNURYOCAA-UHFFFAOYSA-N 295.854 4.747 30 10 CJEE C=CCCCCCCC[C@H](N)c1c(F)cccc1OC 2235541562 JKSYWHNURBZFCM-HNNXBMFYSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1CCC(C)(C)CO1 2235768386 GKAQHZPSJFVWTO-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE CCCCCCCCCOC[C@H]1C[C@@H]1CNCC(C)C 2239467284 JRSJVGMWMFHTOY-QZTJIDSGSA-N 283.500 4.635 30 10 CJEE CCCC1CCC([C@@H](N)C#Cc2ccc(Cl)cc2)CC1 2239467389 IXIAPTQRBGLRLU-PVARCSIZSA-N 289.850 4.625 30 10 CJEE CCN[C@@H](CC#Cc1ccc(Cl)cc1)CC1CCCC1 2239473686 NAPJDVXLTOVLGT-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCCCCCCCCOc1ccc(Cl)c(C(=O)O)n1 2239526186 VJWSOCRXMIXLSV-UHFFFAOYSA-N 299.798 4.563 30 10 CJEE C#CCCCC(=O)c1cc(Br)cc(C(C)C)c1 2247265111 WXFGNAFJKLUSPV-UHFFFAOYSA-N 293.204 4.559 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C#N)CCCSC1 2248865905 MIIQYUDSEVFRFY-ILXRZTDVSA-N 251.439 4.630 30 10 CJEE C=CCCC[C@H](CCCC[C@@H]1C[C@@H]1C)NCCC 2254600712 YNARPUMOXRTXTL-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCC1(C)C 2259129175 WTEUEPBBJPCQBI-CZUORRHYSA-N 251.414 4.548 30 10 CJEE CCCCCCCCOc1cc(C)c(F)c(C)c1N 2264460521 PLDCABRYMQLTFI-UHFFFAOYSA-N 267.388 4.764 30 10 CJEE CC1(C)C[C@H]1CSc1ccc(C#N)c(C(F)(F)F)c1 2265221630 VQNDSRMBNDKRDS-JTQLQIEISA-N 285.334 4.715 30 10 CJEE N#Cc1ccc(OCC[C@@H]2CCCC23CC3)c(Cl)c1 2266645454 XOVOVQDERVOITB-ZDUSSCGKSA-N 275.779 4.561 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(Cl)c(Cl)cc2C)n1 2266779783 DDDUNBJESDPBIP-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE Cc1cc2sccc2c([C@]2(C#N)CCCC[C@@H]2C)n1 2270608119 IVOZFKCKDQQZOX-ZBEGNZNMSA-N 270.401 4.576 30 10 CJEE FC1CC2(C1)CC(OCCCCCCCCCS)C2 2271318982 KASBWWRSHSJJRV-UHFFFAOYSA-N 288.472 4.944 30 10 CJEE C=CCCSC[C@H](NCC)c1ccc(CCC)cc1 2271586545 RABKJKAYDLJYEZ-KRWDZBQOSA-N 277.477 4.599 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1csc(C)c1OC 2271656424 CYUPDNZJEYYSSZ-WFASDCNBSA-N 281.465 4.708 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1 2273997851 BVHZIRIJCKOGSU-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE C=C(c1ccccc1)[C@@]1(O)CC(C)(C)CCC1(C)C 2274489524 RDNROULFYIBESC-SFHVURJKSA-N 258.405 4.667 30 10 CJEE C=CCCCC[C@@](CC)(CCCCC)OCC(=O)O 2275343670 PAOVLJCMNKPEQG-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1cc(C)sc1C 2276140132 KOAMVRUGQIGWHW-MRXNPFEDSA-N 281.465 4.518 30 10 CJEE CC=C(CC)[C@](C)(CCCCCCC)OCCCN 2276240893 VXJUZPSWLYYEPW-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1CC1(C)C 2276316432 UXLXPZHPGDNCGU-CVEARBPZSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)C(C)(F)F 2276630673 JOCQKRMHUCRAOC-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CCCCCCCC[C@@H](CC1(C)CCC1)OCCN 2276633614 LBKXSQPSZQZPEN-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1cccs1 2278246149 YPTPLLMZBCQOSC-HZPDHXFCSA-N 283.481 4.640 30 10 CJEE CN(CC1CC2(CCCC2)C1)c1ccc(Cl)cc1C#N 2280005268 JSJXQUBVTPSQQU-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C#N)CCOC12CCCCC2 2280466549 QICUYVXZLCXYQM-IXDOHACOSA-N 275.436 4.836 30 10 CJEE CC#CCCCC[C@H](NCC)c1cccc(OC)c1Cl 2283311247 NOTQIFKKQSKKKM-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE CCCCCCCCCC(=O)c1c(N)cccc1OC 2283475988 LQPHTPRKOPENDB-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CCCc1ccc(CN(C)C[C@H](CS)C(C)(C)C)cc1 2283526103 VZYMZBQHZFLVIK-QGZVFWFLSA-N 293.520 4.663 30 10 CJEE C[C@@H]1CC[C@@H](CSc2nc(C(C)(C)C)ccc2C#N)C1 2284048929 NVDWPYAXZSFXSL-CHWSQXEVSA-N 288.460 4.779 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC[C@@H](C)S1 2284165075 BFZANUHBYRKRSO-ZACQAIPSSA-N 293.520 4.635 30 10 CJEE C=CCCCCCCCSc1cc(C(C)C)[nH]c(=N)n1 2287089088 HDYGJKYBYOAPNT-UHFFFAOYSA-N 293.480 4.631 30 10 CJEE CCC[C@H](CC)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2287673528 MXCBBOMIQKKOHQ-VUGNNNGISA-N 279.468 4.920 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](O)[C@H](CC)CCC 2287676207 XXBSSIUUXTYVIL-FGTMMUONSA-N 283.500 4.678 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C)[C@@H](C(C)C)S1 2287981967 JCBPKVSOAUWGDG-HRCADAONSA-N 298.540 4.944 30 10 CJEE CCCCCCC[C@H](O)C(=O)C[C@]12CCCC[C@H]1CC2 2289057107 LHJVAWCBGWUHBN-XYJFISCASA-N 280.452 4.637 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@H]1CC=CCC1 2292640308 BCEZBKCJMOFCBC-ZWKOTPCHSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCC[C@](C)(CCC=C)OCCCN 2292650156 OZPNUIORPSHQAD-SFHVURJKSA-N 281.484 4.993 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1ccc(F)cc1Cl 2292886714 YTMVOFRDBNLGNA-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE C=CCCCC[C@@](C)(OCCN)[C@@H]1CCCC(C)(C)C1 2293291412 HBGYMEXMEQIVBB-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)CC(F)F)OCCN 2293600977 SBKOEFDFCSFXRS-LSDHHAIUSA-N 293.442 4.762 30 10 CJEE C=CCCCCCCC[C@](CC)(OCCN)[C@@H]1C[C@H]1C 2293785253 PPGKWSZPEISUEC-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC[C@@H]1CC(C)C 2294032763 MSRYUGZTZYWTJF-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1CCC[C@@H]1F 2294331036 OYEYHCDZDGGDKR-IKGGRYGDSA-N 287.463 4.609 30 10 CJEE C#CCCCCC[C@@](CC)(C[C@H](C)CC)OCCCN 2294452888 NZIJPZLNPVAQCJ-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE C#Cc1ccc2[nH]cc(C(=O)C(CC)(CC)CC)c2c1 2295168156 UWXJAYQTFDVALA-UHFFFAOYSA-N 267.372 4.548 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@]12CCOC[C@H]1C2 2295597432 VITVKCBLGURVBI-FGTMMUONSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@H](C)C(C)C 2295682310 OXSNXNKXXJPPBY-KSZLIROESA-N 285.516 4.888 30 10 CJEE O=C(C=CNc1cccc(C(F)(F)F)c1)c1cccs1 2297369045 USHZSXLNVZZBJV-UHFFFAOYSA-N 297.301 4.575 30 10 CJEE C=CCC(CC=C)SCc1ccc(C)nc1Cl 2298917827 XCDSHKAAQFCGEA-UHFFFAOYSA-N 267.825 4.797 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cccc(Cl)c1Cl 2301036624 IFCFICGTWJVQDO-AWEZNQCLSA-N 271.187 4.795 30 10 CJEE CCCC1CC(OC[C@](C)(CS)C(C)(C)C)C1 2307144814 JTDZVPJBIFCGOK-SSDMNJCBSA-N 258.471 4.564 30 10 CJEE C=CC[C@H](C)Sc1nc(Cl)nc2sc(CC)cc12 2313626678 KRBMKBXMLJOGHX-QMMMGPOBSA-N 298.864 4.964 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1[N+](=O)[O-] 2313628304 FULMJRHHAGEZOF-UHFFFAOYSA-N 283.780 4.861 30 10 CJEE CC(C)CC(CC(C)C)OC[C@@H](CS)CC1CC1 2313800749 LDEDJFPEPZIREG-HNNXBMFYSA-N 272.498 4.810 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(C(C)(C)C)s1 2316710486 WGUMISMJROXYJE-HNNXBMFYSA-N 264.434 4.847 30 10 CJEE C#CCCCCCCNc1c(Cl)cc(N)cc1Cl 2316798692 UDZWMUJSDZJILT-UHFFFAOYSA-N 285.218 4.571 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CCCC1)NCCC 2321095763 LUVWBERDUXMBJF-SJORKVTESA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H](CC)CC(F)(F)F)NCC 2321106831 AWAHQQAUGLBSNW-AVGNSLFASA-N 265.363 4.545 30 10 CJEE CC#CC[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327887247 UTSFVSHJXZFJEA-CQSZACIVSA-N 284.230 4.756 30 10 CJEE CC(C)(C)C#CCC(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329820051 OYFIRNAUEFKUJN-JYJNAYRXSA-N 260.421 4.602 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2333365721 UCHNQKPVZWFMTI-PNKHAZJDSA-N 262.437 4.700 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@@H]2CC[C@H]1C2 2334660806 CRKDYYDFEPFBEX-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)NC1CC(c2cccc(Cl)c2)C1 2335206566 LZHRWKDPCPDRTL-UHFFFAOYSA-N 275.823 4.696 30 10 CJEE CCCCCCCC(=O)c1cc(F)c(OC)c(F)c1 2338121646 KALZXPSNWMMSIA-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)CCCC23CC3)c1Cl 2339207079 LEHNHGMUZUFXNI-MRXNPFEDSA-N 277.770 4.804 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1C 2340914513 YMDRZZVNJBJORT-IUODEOHRSA-N 263.400 4.838 30 10 CJEE CO[C@H]1C[C@](C#N)(CCCC2=CCCCC2)C1(C)C 2341012426 DOFWDIIZDVFNBX-RDJZCZTQSA-N 261.409 4.612 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cc(F)ccc2C2CC2)CC1 2341801817 JLSXMEBLCAMRLS-LLVKDONJSA-N 258.336 4.632 30 10 CJEE C=CCC[C@@H](NC)[C@H](c1ccccc1)C1CCCC1 2342354290 QTRDENKOVFRXOF-QZTJIDSGSA-N 257.421 4.515 30 10 CJEE C=CC[C@H](C)N[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343785071 FRGGHZKUUXSPBE-FZMZJTMJSA-N 271.326 4.711 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1CCC[C@H]1C(F)F)NC 2344347256 AEPXHFWDICZULX-KNCOVGOOSA-N 273.411 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCOC(C)(C)C)NCC 2345378422 GWVRAGKZIQDKFV-DOTOQJQBSA-N 269.473 4.552 30 10 CJEE O=C(CC1CCC(CC(F)(F)F)CC1)C1=CCCC1 2353192957 SUPHHBBNQMUFQD-UHFFFAOYSA-N 274.326 4.815 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccnc(C(C)C)c1 2353572573 UECLFXFZDXWDAQ-QGZVFWFLSA-N 261.409 4.765 30 10 CJEE CSc1cc(N[C@@H]2CC[C@@H]2C(C)(C)C)ccc1C#N 2353828918 TZYGHWFAVYDHKQ-UONOGXRCSA-N 274.433 4.517 30 10 CJEE CC(C)C[C@@H](CS)CN1CC[C@]12CCCC(C)(C)C2 2353839040 CNAUBBPKPROXKA-WBVHZDCISA-N 283.525 4.623 30 10 CJEE CCCCCCCC[C@@H](CC1[C@@H](C)[C@@H]1C)OCCCN 2360128361 ISJGODFMGOMYGI-ULQDDVLXSA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)O[C@@H]1CCCCCCCC[C@@H]1NC 2360210913 ZFSKQWYHROEZFS-ZWKOTPCHSA-N 279.468 4.615 30 10 CJEE CC(C)Cc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 21813410 KMJDFSPDWQUDKI-HNNXBMFYSA-N 278.399 4.930 30 10 CJEE C=CCOc1ccc(CN[C@H](C)CCCCCC)cc1 34991466 QUGRHNMHVZYSOL-MRXNPFEDSA-N 275.436 4.700 30 10 CJEE C[C@@H](Nc1ccc2sccc2c1)c1ccc(C#N)cc1 36976166 HCVVFGMGAXGVJD-GFCCVEGCSA-N 278.380 4.946 30 10 CJEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](SCc2ccco2)C1 37156241 ABVBUBXVQMDHKF-VNHYZAJKSA-N 277.433 4.867 30 10 CJEE C=CCOc1ccccc1/C=C/c1nc2ccccc2o1 57457399 CUNIGJLCRPYZQB-VAWYXSNFSA-N 277.323 4.563 30 10 CJEE CCCCCCCCCSc1ccncc1N 59191739 GRGWMUHOESCQGD-UHFFFAOYSA-N 252.427 4.507 30 10 CJEE CCCCCCCCCN(CCCN)c1ccccc1 59203589 ONEDEXVMTUXGNM-UHFFFAOYSA-N 276.468 4.592 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1ccc(Cl)s1 59526001 JWVAHHDBTVFKNE-NSHDSACASA-N 288.840 4.960 30 10 CJEE Cc1ccc(N/N=C/c2cccc(OC(C)C)c2)cc1C 82252371 IFADEXZMUDREJL-XDHOZWIPSA-N 282.387 4.537 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@H](OCC)C1(C)C 85385434 FXERLMYYVBDEOE-HOTGVXAUSA-N 291.460 4.580 30 10 CJEE COc1cccc(CC2(C#N)CCC(C(C)C)CC2)c1 87960003 WWRCBOBIICMHQJ-UHFFFAOYSA-N 271.404 4.594 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Sc1ccccc1Cl 93955899 IMDZVCJDMNGHCO-GXFFZTMASA-N 251.782 4.514 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCc2ccccc21 97208786 WVWHJUMZCBCAIU-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)nc2ccccc12 97220439 MBISNQVBJADTAQ-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE CC(C)/C(Cl)=N\OC(=O)Nc1ccc(C(C)C)cc1 97956075 RWDPSSOZILPKLU-GHRIWEEISA-N 282.771 4.567 30 10 CJEE CC(C)(C)c1ccc(Oc2ccc(/C=N/O)cc2)cc1 103844504 AZDAGKQKJMAANH-LDADJPATSA-N 269.344 4.585 30 10 CJEE CCCCCCCCOCCCCCNCCC 107346497 ASTAVOSRVNMBIA-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE CCCCCCCCCCCC[C@@]1(C(=O)O)CCCNC1 109039558 PIOCXFOTFRSWRL-GOSISDBHSA-N 297.483 4.752 30 10 CJEE CCCCCCCCCC(=O)COc1ccccc1 109711000 BZTDOIIUOYVGSW-UHFFFAOYSA-N 262.393 4.775 30 10 CJEE C=C[C@H](C)Oc1c([C@@H](C)NCCC)ccc2ccccc12 110094105 CLAJJDPZRURKMB-LSDHHAIUSA-N 283.415 4.854 30 10 CJEE CCCCCCCOc1cccc2c1CC[C@H]2NCC 110100984 KGGMLTOLGDVJSO-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CCCCCCC[C@]1(CNC)CCCc2ccccc21 110212141 VWWHNDYIOFEPJT-LJQANCHMSA-N 273.464 4.841 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](N2CCC3(CCCCC3)CC2)C1 110265487 FASXLBRKVDWRLL-RCCFBDPRSA-N 288.479 4.751 30 10 CJEE CCCCCCCCCCN[C@@H](C)C[C@H]1CCCCN1 129264826 NBELVKMTRXLLLD-ZWKOTPCHSA-N 282.516 4.637 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 130951828 JPQRMFGOFHECEA-PWSUYJOCSA-N 282.309 4.568 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ccnnc1 139468591 XQCORBXFVYZGLQ-QGZVFWFLSA-N 277.456 4.658 30 10 CJEE CCCCCCCC[C@H](NC)c1cccc2nccnc12 140392067 VDWGEAPTZHEMRG-INIZCTEOSA-N 285.435 4.641 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1OCC[C@H]1C 157882331 XTKXFRXUHBGUIG-FGTMMUONSA-N 283.500 4.920 30 10 CJEE C=CC[C@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1 162644307 ZFTIZDOEEZBYHE-DLBZAZTESA-N 279.427 4.761 30 10 CJEE C=C(C)CN[C@@H](c1ccccc1)c1cc(C)ccc1C 163648323 QOZUHKICNTUTBR-IBGZPJMESA-N 265.400 4.559 30 10 CJEE C=C(C)CC[C@@H](NCC)C1(c2ccccc2)CCCC1 164581340 GOJKGMYCHYGNKS-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccncc1C 165085799 UXFOFYCPPHTHSH-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE Cc1cc(C#N)ccc1COc1cccc(C(C)C)c1 165536548 SERSLVQBJXGBLC-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE C=C(C)C/C=C(\COC[C@H]1CO1)[Si](C)(CCC)CCC 195820460 RPGRKDWOFMFPCA-UWNXQOIWSA-N 296.527 4.732 30 10 CJEE CC(C)(C)c1ccc(C#Cc2cccc(F)c2)cc1 204856571 FTPHPYNEASOTOD-UHFFFAOYSA-N 252.332 4.523 30 10 CJEE CN(C1CCCCC1)[C@@H](C#N)c1ccc(C(C)(C)C)cc1 213026760 HMIBGCJENNBMHM-SFHVURJKSA-N 284.447 4.813 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 224197709 MRHNKPJUNVVPKQ-DMRKSPOLSA-N 276.468 4.604 30 10 CJEE C[C@@H]1C[C@@H]1c1ccc([C@@H](O)C2(C#N)CCCCCCC2)o1 227042420 CSPXMIZKFGMFCX-JKIFEVAISA-N 287.403 4.691 30 10 CJEE C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 227663738 UMVUFDBDKYGKEE-HFAKWTLXSA-N 296.336 4.814 30 10 CJEE CC(C)(CCc1ccccc1)Nc1ccc(C#N)c(F)c1 229304634 HORNXGQLCPAQOR-UHFFFAOYSA-N 282.362 4.521 30 10 CJEE CCCCCCCCCCC[C@H](COCC)NC 229791705 GDFDFPTZCQNMEM-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CC(C)C[C@@H]1CCC[C@](C#N)(Nc2cccc(F)c2)C1 230779420 RTMXZYUAKSTQGM-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE N#CC[C@H](Nc1cc(F)ccc1Cl)c1ccccc1 231819180 MDZGPFHKIVCACO-AWEZNQCLSA-N 274.726 4.546 30 10 CJEE Cc1cccc(N[C@@H](c2cccs2)C(C)C)c1C#N 232700833 AKDSKJHOBXTAIB-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE CCCCCCCCCN(C[C@@H]1CCCCN1)C(C)C 232938198 XSNUWNAJMFFCEQ-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCNCc1ncc(CC)s1 232951647 ARENUTPLKHGCQS-UHFFFAOYSA-N 282.497 4.936 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCO[C@@H]1CC 232964524 PBLSJGKVEHAACH-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](N)c1nc2c(s1)CCC2 232991242 CTXHVQOVCFCSQW-ZDUSSCGKSA-N 280.481 4.772 30 10 CJEE C[C@H]1CCC[C@H](CCNCCCCC(C)(C)C#N)C1 235554078 KXDCJRONJGETMR-JKSUJKDBSA-N 264.457 4.512 30 10 CJEE O=C(C1=CCCCC1)c1ccc(Cl)c(Br)c1 236055436 OIUSTQABWGPOGW-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCCCCCC(=O)c1ccc(Cl)c(F)c1 236175222 HRISOMJRQWNUCN-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(F)c(F)c1F 236228605 IKMNXCLASUUMHK-UHFFFAOYSA-N 268.278 4.567 30 10 CJEE C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 300279226 HCSXBJNCPVYSHU-GMTAPVOTSA-N 296.197 4.606 30 10 CJEE CC[C@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](CC#N)O1 307894609 HUOYTQGIGZNZBT-BXUZGUMPSA-N 284.186 4.691 30 10 CJEE C=CCCCCCCN[C@@H](C)c1c(F)cccc1F 312107485 KVPLKHUTUMQGEN-ZDUSSCGKSA-N 267.363 4.752 30 10 CJEE Cc1cccc(N[C@@H]2CCCCC23CCCC3)c1C#N 312295141 AAONLVJIHYDQAD-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@@H](CNC2CC2)O1 312400294 PDQHCAPNTILJRQ-ROUUACIJSA-N 281.484 4.817 30 10 CJEE CC(C)C1CCC(C#N)([C@H]2CC(C)(C)OC2(C)C)CC1 312561111 RGMDUBWAKUZTAP-CSLYMUCUSA-N 277.452 4.936 30 10 CJEE CCC(=O)c1ccccc1Oc1ccc(C#N)c(Cl)c1 312965799 OELRVQZXFFBNOK-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C=C(CC)CN[C@H](C)C(c1ccccc1)c1ccccc1 313485639 ADRJREOCFNAPHD-QGZVFWFLSA-N 279.427 4.763 30 10 CJEE CC#CCC[C@]1(CNCC(C)C)CCC[C@@H](CC)C1 318111916 XHEWEWLKFYNTQF-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCC1 325027852 KXBBQIGWWIPEJQ-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cn(C)nc1C 380507076 YQXXIHFMLUXRJI-KRWDZBQOSA-N 279.472 4.649 30 10 CJEE C[C@@]1(CC#N)CC[C@](C)(c2ccc(Cl)cc2Cl)O1 381255792 NUSQLPDSVGUMOE-UONOGXRCSA-N 284.186 4.691 30 10 CJEE CCCCCCCC(=O)CC(=O)[C@H]1CC2CCC1CC2 381531557 PNAWWGMAUXVXCG-DQPZFDDXSA-N 278.436 4.702 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(CSC)c1 393004145 VZPUTGFWSACXLO-KRWDZBQOSA-N 294.508 4.805 30 10 CJEE Cc1cc(Cl)cc([C@H](C#N)Nc2ccccc2C)c1 395211672 KNMWOWOGXYNZBD-INIZCTEOSA-N 270.763 4.634 30 10 CJEE N#C[C@@H](CNc1cc(Cl)cc(Cl)c1)C1CCCC1 397366513 PIDZHOGEIUATHV-NSHDSACASA-N 283.202 4.735 30 10 CJEE C=CCCC[C@H](C)n1ccc2c1CC(C)(C)CC2=O 398320805 YWTVZTPMKPQYEO-ZDUSSCGKSA-N 259.393 4.561 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](C#N)Nc1ccccc1Cl 401774287 YGTVQTWGYFQEST-XJKCOSOUSA-N 276.811 4.860 30 10 CJEE Cc1ccc([C@H](C#N)NC2CCCCCC2)c(Cl)c1 404711426 AKJXIVWLCCIZCF-INIZCTEOSA-N 276.811 4.526 30 10 CJEE C=CCC[C@H](NC1CCC2(CC1)CC2)c1ccco1 552057155 HDNOSILPNGURLJ-HNNXBMFYSA-N 259.393 4.599 30 10 CJEE C#CCCCCC[C@H](NCCC)C1(C)CCCCC1 686693517 NTQTVABLDSSMOH-KRWDZBQOSA-N 263.469 4.909 30 10 CJEE C#CCCCCCC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 686699161 CKEKZGIDCZXMFY-BRWVUGGUSA-N 260.421 4.746 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(F)cc1Cl 692205009 OBDULBCWUGQNKJ-BLLLJJGKSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(F)cc1N 692241954 VNNYMORPNNDFKO-QMTHXVAHSA-N 282.790 4.608 30 10 CJEE C[C@@H]1CC(CNc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 695265604 NVWAHQNYMOETMA-RYUDHWBXSA-N 276.811 4.696 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)CNC 695607959 HYXHPJKPSPWEHW-IRXDYDNUSA-N 271.489 4.514 30 10 CJEE Cc1cc(N[C@H](C)CC(C)(C)C#N)c(Cl)cc1F 695816254 JZRZLNJEHZJZRB-SNVBAGLBSA-N 268.763 4.528 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@@H]1CCCC[C@@H]1C1CC1 695874941 YBQMHHCWWOMQMJ-NVXWUHKLSA-N 288.822 4.617 30 10 CJEE CCCCCCCN[C@@H](CC)c1ccc2c(c1)CCO2 703718207 SNDWSCLVAJGWDL-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1cc(F)ccc1F 703995671 LHPBGAFHYNBVDV-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE CCCCCCCCCNC[C@H](C)Oc1ccccc1 703996951 YZBQIAKAUATTEM-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1csc(C)c1 704005221 GKRXPRGFCQPKPZ-ZDUSSCGKSA-N 251.439 4.700 30 10 CJEE CCCCCCCCCC[C@]1(N)CC[C@H]2CC[C@H]1O2 704918786 NOVHPVNLUXNFIG-ZACQAIPSSA-N 267.457 4.556 30 10 CJEE CCCCCCCCC[C@@]1(N)CSCCC1(C)C 704937436 PLGRCVJNDSPLMT-MRXNPFEDSA-N 271.514 4.988 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(C)s1 707518247 LIQVIBLPGADTEF-HNNXBMFYSA-N 253.455 4.981 30 10 CJEE CCCCCCCC[C@@H](CCCOC(C)C)NCC 708376776 XWVWWKIKQLHKJO-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C=CCCSCCN[C@@H]1c2ccccc2CCC1(C)C 710186263 RHADMGMNHRHAJY-QGZVFWFLSA-N 289.488 4.599 30 10 CJEE CCC(C)(C)CC[C@@]1(C=O)CCCc2ccccc21 711318230 DPMTVLOCRMLZEI-GOSISDBHSA-N 258.405 4.676 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC[C@H](NC)C1 712756451 CNANKCUWCJKNNV-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCC[C@@H]1C(F)(F)F 715707062 VKUVIFPTKCZNHJ-AJNGGQMLSA-N 291.401 4.936 30 10 CJEE C=CC[C@@H](C)Oc1cc(C)c(Br)c(C)c1C 715758541 NDYRVWJPQQZCRJ-SNVBAGLBSA-N 283.209 4.718 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H]1C[C@H](C)O[C@H](C)C1 724397457 PJWCRIPJMXDTRH-YYIAUSFCSA-N 270.457 4.692 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/N[C@@H](C3CCCC3)CCS2)CC1 725084681 IJUHCPYXBYZTCW-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE CCc1c(C(F)(F)F)ccc2scc(CC#N)c12 725302285 CMYOTIRKOXNLJE-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE CCCCCC[C@@](C)(CC)C(=O)N1CCC(C)(C#N)CC1 781027665 FAGSGOJYCFOFIA-GOSISDBHSA-N 292.467 4.525 30 10 CJEE C=C1CCC(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 1127174872 ILHQHZVVXVPSJZ-INIZCTEOSA-N 299.458 4.604 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)c1ccccc1 1128175020 YJDLUMCJMDNNKH-QZTJIDSGSA-N 299.458 4.821 30 10 CJEE C=CCCCCCN1C[C@H](C)Oc2ccc(Cl)cc21 1167513421 TXMVBORZJPJUKN-ZDUSSCGKSA-N 279.811 4.674 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C)[C@H](C)C1 1182327417 TUZSKIPPPDFNHS-QFHJOOASSA-N 271.448 4.588 30 10 CJEE C=CCCCN1CC[C@@H](c2ccccc2)c2ccccc21 1196831510 LXUHXDIYHGFDAD-SFHVURJKSA-N 277.411 4.995 30 10 CJEE C=CCCc1ccccc1NCc1cccc2c1NCCC2 1205504181 WDQYJHZSOYCPRT-UHFFFAOYSA-N 292.426 4.775 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl 1205838689 BWUOHWRUUXGWCU-GDBMZVCRSA-N 277.839 4.778 30 10 CJEE C=CCCCCCCCCN1CCC[C@@H](CC#N)C1 1209442753 DMXXPCGDNVQNPO-KRWDZBQOSA-N 262.441 4.529 30 10 CJEE C=CC[C@H]1N(CCc2ccc(F)cc2F)CCCC1(C)C 1308725578 WDJGJJPFDYGVHN-QGZVFWFLSA-N 293.401 4.574 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)NCCCCC(C)C 1312060158 CVVKJDRJQAZTAQ-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(C(C)C)c1 1347730741 CUPBDJLTQILCFL-UHFFFAOYSA-N 257.377 4.517 30 10 CJEE C=C(C)CN(CC)C(=O)[C@@H](CCC)c1ccc(Cl)cc1 1352046352 IRCVTHBRVGHQAY-INIZCTEOSA-N 293.838 4.648 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(\CC)c1ccc(C)cc1 1357587041 MTIWXLZLMZUXSE-WUVIJCSQSA-N 285.431 4.649 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 1439926196 XIJSGWAQRPKCMJ-UHFFFAOYSA-N 297.423 4.912 30 10 CJEE C=CCC[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccccc1 1458138405 ZFEIZSMLKZVSLO-OAXWQBPPSA-N 297.442 4.947 30 10 CJEE C=CCCN(C)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 1459061627 UTNYNYPAFSBLED-INIZCTEOSA-N 293.838 4.504 30 10 CJEE CC#CCCCC(=O)O[C@@H](CC)c1cccc(Cl)c1F 1459158779 ICABIZKUNBVGAE-AWEZNQCLSA-N 296.769 4.667 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccc2ccccc2c1 1460387564 IQROQVDVAPHSHQ-HNNXBMFYSA-N 295.426 4.662 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 1462413976 LYQJCYJANFJIBH-LLVKDONJSA-N 289.366 4.555 30 10 CJEE C=CC[C@@H]1CCCN(c2nc3c(C)cc(C)cc3s2)C1 1472827357 POACWWLNSNHEJO-CQSZACIVSA-N 286.444 4.706 30 10 CJEE C=CCC1(NC/C=C\c2ccc(F)cc2F)CCCCC1 1474147182 YNABRHUNYPXCCD-SREVYHEPSA-N 291.385 4.847 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@]1(C)CC1(Cl)Cl 1474533531 UWMSBOFZEIDFML-QWHCGFSZSA-N 278.267 4.685 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H](C)C[C@@H](C)CC 1476483724 VDBYAMRADOBOHM-GJZGRUSLSA-N 288.435 4.751 30 10 CJEE C=C(C)CCC(=O)N(C)c1ccccc1-c1ccccc1 1519657211 CIBPYZOWUFNSFQ-UHFFFAOYSA-N 279.383 4.673 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@@H](CC)CCC)c1ccccc1 1519872721 GDKZJIUXVXGPSF-ZWKOTPCHSA-N 287.447 4.821 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 1526245354 JTWMMUKVUHMHGB-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CCCC1(CNC(=O)C[C@@H](C)CC(C)C)CCCC1 1528541440 GHLCSLVFFDOLRZ-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCC[C@@H]1CC 1531086083 WOHKOZGEMCAWGR-ROUUACIJSA-N 291.479 4.798 30 10 CJEE C=CCC[C@H](C(=O)NCC[C@H](C)CCC)c1ccccc1 1533847066 MRSKMUCYJXXDDS-AEFFLSMTSA-N 287.447 4.679 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2cc3ccccc3o2)CCCC1 1537385493 YIRZXCKNZOSXJX-AWEZNQCLSA-N 297.398 4.747 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCC[C@H]1C 1539035743 MSVQTHVKQFXSNZ-MJGOQNOKSA-N 299.458 4.808 30 10 CJEE CCCCCCCCCN1CCc2cc(F)ccc2C1 1559660016 HCNIRBVMLCHHIU-UHFFFAOYSA-N 277.427 4.934 30 10 CJEE C=CCCCC[C@H](C)NCC[C@H]1CCc2ccccc21 1560860764 WKASZZLXGNNYBA-FUHWJXTLSA-N 271.448 4.831 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)c1ccccc1 1583038148 RETDBNSZVGDYNJ-FHWLQOOXSA-N 297.442 4.636 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@H](CC)CC1CCCCC1 1586932660 HCASZTJYGRFLTH-MRXNPFEDSA-N 279.468 4.844 30 10 CJEE C=CCC1(NCc2cc(C)nc3c2CCCC3)CCCCC1 1620936934 ASJLSDFZMVTEQT-UHFFFAOYSA-N 298.474 4.637 30 10 CJEE C=CCCCCN1CCC(c2ccc(Cl)cc2)CC1 1642830968 XNKXZQYESMDAAH-UHFFFAOYSA-N 277.839 4.876 30 10 CJEE C=C(C)CCN1CCCC[C@@H]1c1ccc(Cl)cc1 1643097031 FYWYHXGOZRBJHU-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 1646568162 FLAMALVHFFUMCX-UHFFFAOYSA-N 290.366 4.762 30 10 CJEE C/C(=C\c1ccc(Cl)cc1)CNc1ccc(CC#N)cc1 1648861712 BERIKJZJYRROHM-WYMLVPIESA-N 296.801 4.921 30 10 CJEE C=C(C)c1cccc(NCc2ccc(Cl)c(OC)c2)c1 1651651414 MQBSDJUJBIQPFN-UHFFFAOYSA-N 287.790 4.994 30 10 CJEE C#C[C@H](N[C@@H](C)CCCCCCC)c1ccc(F)cc1 1652535224 HNMXOYZHYJYXBG-YJBOKZPZSA-N 275.411 4.839 30 10 CJEE C=CCCCCCN(C)c1ccc(C)c(Cl)c1 1653721367 AMVXVUNWICMBRJ-UHFFFAOYSA-N 251.801 4.831 30 10 CJEE C=CCCCN(CC)C[C@@H]1CCC[C@H](c2ccccc2)O1 1655014305 GGGYNAPCNVQVSA-RBUKOAKNSA-N 287.447 4.585 30 10 CJEE C=CCC[C@@H](CC)NCc1cccc(C)c1Br 1657789607 QUNPZANAWWNZJB-CQSZACIVSA-N 296.252 4.592 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2CCCCC23CCCC3)C1 1658169624 AVHGUXABWSCXPF-ZACQAIPSSA-N 261.453 4.824 30 10 CJEE C=CC(C)(C)CCCNCc1ccccc1C(C)C 1658541961 UVTBBHFICLTDNQ-UHFFFAOYSA-N 259.437 4.892 30 10 CJEE C=CCC[C@H](CC)NCc1c(C)oc2ccccc12 1658752463 AGXBNQUUJDSOML-AWEZNQCLSA-N 257.377 4.576 30 10 CJEE C=CCn1ncc2ccc(N[C@@H]3CCC(C)(C)C[C@@H]3C)cc21 1658997281 AZVBAONQWLMXGH-WMLDXEAASA-N 297.446 4.849 30 10 CJEE Cc1cc(N[C@H](C)CC(C)(C)C#N)c2ccccc2c1 1659246648 GTZSBWMMPWIGRL-CQSZACIVSA-N 266.388 4.889 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1CCC(C)(C)CO1 1660097872 ZAFZOWKQSJWNSF-SJORKVTESA-N 283.500 4.920 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)CC1 1664328350 ARYFNXOALVDSCL-YVSFHVDLSA-N 276.468 4.653 30 10 CJEE C=CCCCN(CC)C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 1671927026 JFJRXHAMBUTZSO-DLBZAZTESA-N 294.483 4.589 30 10 CJEE C=CCN(CC=C)/N=N/c1ccc(Cl)cc1Cl 1860485144 SYBODUZOLDBBLY-FOCLMDBBSA-N 270.163 4.666 30 10 CJEE Cc1c(Cl)cccc1N=C1N[C@]2(CC[C@@H](C)C2)CS1 1880884445 BUGOKCQUASHYPY-BMIGLBTASA-N 294.851 4.531 30 10 CJEE C=CCCN(CC[C@]12CCC[C@@H]1C2)Cc1ccccc1 1882664104 NUNPYTRINOOYRK-MOPGFXCFSA-N 269.432 4.645 30 10 CJEE CCCCCCCCCN(CC)CCc1nccs1 1883424905 ACPMOIBFBCMLRK-UHFFFAOYSA-N 282.497 4.758 30 10 CJEE C=CCCCCCN(C)CC[C@H](C(F)F)C(C)(C)C 1884236394 AONPTQMNXOZNFW-CQSZACIVSA-N 275.427 4.982 30 10 CJEE CC#CCCCC[C@H](NC)C(CC)(CC)C(F)(F)F 1885227894 KSJHGXXBZJLEEZ-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE C=C(F)CCc1ccc(Cl)c(Br)c1F 1885875863 OQDCWAPZELNPJE-UHFFFAOYSA-N 281.527 4.657 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cccc(F)c1Cl 1887475813 PFABBKNPPUGKOB-DOMZBBRYSA-N 281.802 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1sccc1F 1888682135 LPSBROHRUUKHRS-HNNXBMFYSA-N 275.392 4.641 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1cc(Cl)ns1 1888702438 XCWTWGOGIFQAFH-OAHLLOKOSA-N 292.835 4.551 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1sc(Cl)nc1Cl 1903168390 HYNVNBURNZTJOF-LLVKDONJSA-N 278.204 4.625 30 10 CJEE C=C[C@@H](C)C[C@@H](N)c1cc(Cl)c(C(F)F)s1 1903509356 MYCVNMBISRDWDX-HTRCEHHLSA-N 265.756 4.551 30 10 CJEE CCCCCCCC[C@H]1C(=O)CCN1Cc1ccccc1 1906935871 QHXYORANAIQAQI-SFHVURJKSA-N 287.447 4.581 30 10 CJEE CC(C)(C)C[C@H]1CSC(=N[C@H]2CCCC(C)(C)CC2)N1 1912046527 FNBVBSZFOATJES-KBPBESRZSA-N 296.524 4.843 30 10 CJEE C#CCN(Cc1sc2ccccc2c1Cl)CC(C)C 1916320791 ZCTZNXFOHKCAOW-UHFFFAOYSA-N 291.847 4.646 30 10 CJEE C=CCCC[C@H](O)c1ccc(-c2ccc(F)cc2)s1 1919677274 KOTNDTGMJMSEHR-AWEZNQCLSA-N 276.376 4.944 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](O)(CC)c1cccs1 1920218825 CPMRSAKLTPBSKD-WBVHZDCISA-N 297.508 4.814 30 10 CJEE C=C(CC)C[C@@H](N)C1(O)CCCCCCCCCCC1 1920474956 WKEWENKKCWHWLT-QGZVFWFLSA-N 281.484 4.706 30 10 CJEE CC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2ccc(F)cc2)s1 1921079528 KXLZVNDYHWLIRV-HOTGVXAUSA-N 289.375 4.527 30 10 CJEE CCCCCC[C@](C)(O)[C@@]1(C#N)CCC[C@H](CC)C1 1921120511 QJROCLPJSRDLCW-ULQDDVLXSA-N 265.441 4.818 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@]1(C#N)CCCC12CCC2 1921305773 RCKOMNFFNCJVKU-KRWDZBQOSA-N 277.452 4.674 30 10 CJEE C=C([C@@H](NC)c1ccc(C(C)C)cc1)[Si](C)(C)C 1923043277 CWDGJLCPYWWVJC-MRXNPFEDSA-N 261.485 4.504 30 10 CJEE 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4.804 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CCC[C@H](OC)C1 2207409535 MYCVFYNPRVJTFP-BZSNNMDCSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCCC(=O)CCNCC1CC1 2207414172 NMAKWJZOSBFLMU-UHFFFAOYSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)c1cc(C)[nH]n1 2207439736 WYJCXQJSMNBADR-MRXNPFEDSA-N 277.456 4.676 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](CCCC(F)F)NCC 2207444853 MVDCYBGWHPSXGS-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](O)c2ccc(F)cc2O1 2207446052 DIBSEJZXTXFDII-GDBMZVCRSA-N 280.383 4.761 30 10 CJEE CCCN[C@@](C#N)(CSCC(C)(C)C)C1CCCCC1 2208117167 HYQNPJPZCIJENF-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCC[C@@H](O)CSC(C)(C)C 2214613941 SVMJIHUKHVWKIF-CQSZACIVSA-N 258.471 4.796 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H](CC)[C@H]1C 2220083833 QICCEIWSLJAEMH-IXDOHACOSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](SC)C1CC1 2221155200 BMUVDWLZFLLMIP-JKSUJKDBSA-N 271.514 4.857 30 10 CJEE C=CCCCCCCCCNC[C@@]1(Cl)CC1(C)C 2222116430 LNDWAKQTHIUHNH-INIZCTEOSA-N 271.876 4.900 30 10 CJEE CCCCCCCCCCOC(=O)[C@@H](S)C(C)C 2223223000 KIVPPXFGZJACLO-AWEZNQCLSA-N 274.470 4.625 30 10 CJEE CCc1cc(Cl)ccc1N[C@@H](C)CC(C)(C)C#N 2223752869 JFGVXBYUGVLXIV-NSHDSACASA-N 264.800 4.643 30 10 CJEE CCCCCCCC[C@](C)(N)[C@@H]1[C@H]2CCCC[C@H]21 2223832903 YQTKIAOPEQJSJK-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)c(Cl)cn1 2223902271 JJEXCJHDGVDJBY-TZMCWYRMSA-N 264.800 4.590 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCC(=O)[C@H]1CC 2225687235 FWUQZYCHFLPCSB-NVXWUHKLSA-N 266.425 4.677 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc(C(F)(F)F)cs1 2226454184 SIVPEIYJTTZULB-GFCCVEGCSA-N 294.386 4.696 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 2227291397 QRLWNFXQQMXCDF-FGTMMUONSA-N 263.469 4.881 30 10 CJEE C=C[C@@H](CCCCC)O[C@H](CNC(C)C)C(C)(C)C 2231007956 DXZYMFNXYBTZAR-JKSUJKDBSA-N 269.473 4.551 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(C)c(F)c1F 2231137566 GLBAHTKIXHAOJF-AWEZNQCLSA-N 267.363 4.670 30 10 CJEE CCCCCCCCN1C[C@@H]2CCC[C@H](C1)C2(F)F 2231271236 UQXGCZOEURMZFD-GASCZTMLSA-N 273.411 4.714 30 10 CJEE C=CC[C@H](CCSC1CCCCC1)CNC1CCC1 2231496599 LPEYZQSVSAMACH-OAHLLOKOSA-N 281.509 4.777 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@]1(C)CCCC1(F)F 2231501658 BBXATDDWTVFVTK-CABCVRRESA-N 271.395 4.536 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2ccc(C3CC3)cc2)C1 2231592629 FTAARHDVWHCYKL-KBXCAEBGSA-N 256.389 4.502 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C2CCC2)cc1 2231706652 HEKZVEXVZZNRRU-KSSFIOAISA-N 257.421 4.817 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2F 2231926064 QNRLLGFPNSGPNF-DMRKSPOLSA-N 269.448 4.852 30 10 CJEE CCCCCC#CCC(=O)c1cccc2ccoc12 2232391351 PBISIXGDRAQOJU-UHFFFAOYSA-N 254.329 4.589 30 10 CJEE COc1ncc(Cl)cc1CC1(C#N)CCCCCCC1 2232901791 PVQUYMLWNZOOTC-UHFFFAOYSA-N 292.810 4.540 30 10 CJEE C=CCCCCC[C@H](CC1CC(OC(C)(C)C)C1)NC 2232972019 UNRMIUDOTBIQND-AQFXKWCLSA-N 281.484 4.695 30 10 CJEE C=CC1(C[C@@H](N)[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CCC1 2233647598 BPIWFJFKJKITLL-LXTVHRRPSA-N 283.406 4.522 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)CSc1ccccc1C 2233782395 NNEHRPRYAYDMSI-INIZCTEOSA-N 289.488 4.505 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ncoc1C(F)(F)F 2235522485 UYEJIWTXJBPYOE-LLVKDONJSA-N 291.313 4.644 30 10 CJEE C=CCCCCCCCOc1ccc(C(C)=O)c(F)c1 2235527199 SMJUEKZGKBAYLT-UHFFFAOYSA-N 278.367 4.934 30 10 CJEE C=CCCCCCCCN1CC[C@H](C(C)C)CCC1=O 2235535726 QNUKABOTPXEUMG-QGZVFWFLSA-N 279.468 4.798 30 10 CJEE C=CCCCCCCCN(Cc1cccnc1)C1CC1 2235539642 QNESCVSCUGQERB-UHFFFAOYSA-N 272.436 4.573 30 10 CJEE C=CCC(C)(C)OC[C@@H](NCC)c1cc(C)cc(Cl)c1 2238011583 DTSMDLSAPBTJCJ-MRXNPFEDSA-N 295.854 4.670 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@]1(CN)CCCC[C@@H]1C 2240620478 UXJRIJMDTWCDNP-OKZBNKHCSA-N 283.500 4.643 30 10 CJEE C=C(C)Cc1cc(Br)cc(C(C)C)c1 2241395403 NRDYWMXAHZBVCF-UHFFFAOYSA-N 253.183 4.691 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cc(Br)cc(C(C)C)c1 2247267545 HOIQMYWFNKQCNV-NHYWBVRUSA-N 297.236 4.818 30 10 CJEE C=CCCCS[C@@H](c1ccc(C)s1)[C@H](N)CC 2250027499 GZNPITGWNPPKBY-TZMCWYRMSA-N 269.479 4.534 30 10 CJEE C=C(C)CCCC[C@H](CSCCC)NCCC 2250157198 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CCN[C@H](C#CC1CCCC1)c1cccc(Cl)c1Cl 2273988394 BUHHZVBVBBEXTE-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE CN(CC#CC(C)(C)C)[C@H]1CC(C)(C)CCC1(C)C 2274538169 WWYUTGFVXHEXKS-HNNXBMFYSA-N 263.469 4.573 30 10 CJEE CC=C[C@@](C)(CCCCCCCC)OCCC(=O)O 2275747184 XREDHPJILOUWQW-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C(C)C)OCCCN 2276775494 FKHQEXKOQCAMJE-IRXDYDNUSA-N 271.489 4.763 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1sc(C(F)(F)F)cc1C 2277877441 QHWIYQKWCKMSQC-JOYOIKCWSA-N 291.382 4.938 30 10 CJEE CCC#CC[C@H](NCC)c1sc(C(F)(F)F)cc1C 2277880236 YYZVSKOLSSRHKT-NSHDSACASA-N 289.366 4.529 30 10 CJEE CCCCCCCCC[C@](C)(O)CC(C)(C)[C@H](C)N 2278170564 CRPLJJPXUATLRL-RDJZCZTQSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@]1(C)CC[C@@H](CNCC)O1 2278171523 NVTJIKBHSZNCDR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CCC(C)(C)CNCCC12CC3CC(CC(C3)C1)C2 2279782917 WDSPAOGEULIPJD-UHFFFAOYSA-N 275.480 4.785 30 10 CJEE N#Cc1ccc(SC[C@@H]2CC23CCC3)c2ccccc12 2279976865 NANLBAWNEZJIQW-AWEZNQCLSA-N 279.408 4.994 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)C[C@@H]1CCCC12CC2 2281340422 SRDLKOVFFLLTNQ-DLBZAZTESA-N 291.555 4.596 30 10 CJEE CCCc1ccc(CNc2cc(C#N)ccc2Cl)cc1 2283477790 XIGFPBIZLLEMRZ-UHFFFAOYSA-N 284.790 4.776 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(O)c1ccc(F)cc1Cl 2284082685 YCQNYBLNFKUREZ-QGZVFWFLSA-N 294.797 4.682 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CCCC2(CC2)C1 2284111711 JZHDUYKMFASQLU-SJORKVTESA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C[C@]1(C)COC 2284696213 QCOOVSXEFFKKAO-FGTMMUONSA-N 281.484 4.683 30 10 CJEE N#CC1(c2cccc3ccccc23)CC(C2CCC2)C1 2285321349 PIGYAYRAMSKXBP-UHFFFAOYSA-N 261.368 4.811 30 10 CJEE CC(C)(C)c1cccc(N[C@H]2CCCCC[C@@H]2C#N)c1 2285717799 YETHRZKCRCGNGN-PBHICJAKSA-N 270.420 4.868 30 10 CJEE C=CCCCS[C@@H](C)[C@@H](NCCC)c1ccccc1F 2287076976 KRQKSYMDERYLFE-WMLDXEAASA-N 295.467 4.954 30 10 CJEE C=CCCCSC[C@H](NCC)c1cc(F)c(C)cc1F 2287079379 UITBPSYPSRGMRS-INIZCTEOSA-N 299.430 4.623 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccc(F)cc1C 2287079607 VJJWIFZVDVEWFJ-QGZVFWFLSA-N 295.467 4.874 30 10 CJEE C=CCCCCCCCSC[C@](N)(C#N)C[C@@H](C)CC 2287096504 LQEDCCHSFGGQNR-DLBZAZTESA-N 296.524 4.903 30 10 CJEE C=C(C)CCCC[C@]1(CNCC(C)C)CCO[C@H](C)C1 2287465930 CXPKXTLHAARDTL-MSOLQXFVSA-N 281.484 4.554 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H](OC)C1CCCC1 2287467015 SZZKRGHRQJQZQS-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1C[C@@H]1c1ccccc1 2287467926 YECKLPWJCXSGKZ-CEXWTWQISA-N 271.448 4.905 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1CC2(CC(C)C2)C1 2287742841 ODLFZTWUHCFRHT-YKPIGIGISA-N 275.480 4.765 30 10 CJEE CC[C@](C)(CCC=C(C)C)Oc1ccnc(C#N)c1C 2288384388 CSBUDISJKLUYOV-QGZVFWFLSA-N 272.392 4.556 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1(C)CCCCCCC1 2289871518 YCHMOGNKFAAOBK-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCCN[C@H](CC#CC1CC1)C1CC(CC(C)(C)C)C1 2289981822 UBYFPILXMYJPGL-DAWZGUTISA-N 275.480 4.621 30 10 CJEE CC(C)(C)c1cccc(C[C@]2(C=O)CCCC23CC3)c1 2290287842 FOSCKNMVNSSAPQ-IBGZPJMESA-N 270.416 4.676 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C[C@@H]1C)OCCC(=O)O 2290777263 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30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1[C@H]2CCCO[C@@H]12 2295687414 UFZCDLFHKWZZAS-BSDSXHPESA-N 281.484 4.530 30 10 CJEE CCCCCCSCC[C@@H]1CCC[C@]1(C#N)NC1CC1 2295761681 PVBASKOPWBDVMI-DOTOQJQBSA-N 294.508 4.504 30 10 CJEE Cc1cc(OCc2ccc3sccc3c2)ccc1C#N 2296389744 VWGFHSTXHLWROG-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE CCCCCCCC[C@]1(C)C[C@@H](N)C[C@@H](C)S1 2298946077 DVUSPUULAQCHRN-QLFBSQMISA-N 257.487 4.739 30 10 CJEE CCN(CC)[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301286703 HJRBUXHSODDILD-SNVBAGLBSA-N 291.609 4.553 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C)c(Cl)c1 2304086771 UBEJHEUFXUXXLH-OAHLLOKOSA-N 250.769 4.824 30 10 CJEE C=C([C@H](O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)C(C)(C)C 2309182515 RKGJKZWBWUGPPD-VGWMRTNUSA-N 250.426 4.556 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CCC1(F)F)NCC 2313738487 ZCTDHYRRNHKJEN-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccccc1Cl 2321100391 AVUNOQKVGKXBDS-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE CC(C)CC[C@@H](C)N(C)C[C@@](C)(CS)C(C)(C)C 2327298050 KNMFNPWNIKYPSU-ZBFHGGJFSA-N 273.530 4.725 30 10 CJEE CCCCCCCCNC(=O)C=Cc1cccc(Cl)c1 2327470864 JKVXQRFFACIASK-UHFFFAOYSA-N 293.838 4.830 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1CCC[C@H]1C(C)C)C(F)(F)F 2330729018 YDOYJQOUFRHBBY-BFHYXJOUSA-N 277.374 4.545 30 10 CJEE C[C@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCCCC2)C1 2332787005 JNWGNFWBCYDCBH-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@@H]1C(F)(F)F 2333365809 WHZZDMYRRQCKDQ-HZSPNIEDSA-N 278.358 4.853 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@@H]2CC[C@H]1C2 2334657583 CRKDYYDFEPFBEX-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@](C)(CC)CC[C@H]1NC 2335099219 UBRWDJFBZGALCL-ZACQAIPSSA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)N(C)Cc1ccc(C2CC2)cc1 2338710412 BOSOKQJIFQAMJF-UHFFFAOYSA-N 255.405 4.517 30 10 CJEE CC1(C)CC[C@H](COCc2ccc(C#N)cc2Cl)C1 2341609421 PRCPKWWKYQRPLL-ZDUSSCGKSA-N 277.795 4.555 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(F)ccc1C1CC1 2341677595 BWZNQZJJCWPIHA-CYBMUJFWSA-N 261.384 4.538 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341880854 QZNXOGPSWKZFSB-XSLAGTTESA-N 261.453 4.537 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc2cccc(Cl)c2o1 2341886107 VFODZBLRWFOHMD-SWLSCSKDSA-N 275.779 4.703 30 10 CJEE CSc1cc(C)ccc1C(=O)C=Cc1ccccc1 2342312903 ZCPICCJIAQOQJO-UHFFFAOYSA-N 268.381 4.613 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC[C@H]1CC[C@@H]1C1CC1 2342389452 XEOUAAZLRZLANO-JFIYKMOQSA-N 262.437 4.988 30 10 CJEE C=C[C@@H](C)CCN(C)Cc1cccc(C2CCC2)c1 2343742979 HXGWSWOBLBNKRD-OAHLLOKOSA-N 257.421 4.598 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc2ccccc2o1 2344346322 RHSXOEAGBWWSPM-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2344411190 FVPPNPXOAOKBSZ-OSFYFWSMSA-N 270.363 4.619 30 10 CJEE C=C1CC(CC[C@H]2CCC(C)(C)C2)(CNCCC)C1 2344864522 WWMDDNHDJIKWBU-MRXNPFEDSA-N 263.469 4.929 30 10 CJEE CCC1(C)CC(CNc2ccc(C#N)c(SC)c2)C1 2353823244 YGSKNQJKEBGITI-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CC[C@@H]1C[C@@H]1CC)NCC 2358720689 IYBLZKVQPFMOBC-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1CC[C@H]2C[C@@H]1CO2 2359063170 SSHXDWZVVKACJA-MHORFTMASA-N 282.468 4.693 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)C1[C@@H](C)[C@@H]1C 2360073631 DQXIYYYJPZXHJM-YESZJQIVSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H]1[C@@H]2CCOC[C@@H]21 2360175440 JMRWNJRFRCSDBM-XLAORIBOSA-N 281.484 4.517 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1 37344462 OKGHVIVFLUCSGX-WFASDCNBSA-N 277.795 4.733 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2ccc(Cl)cc2)cc1 57684717 NYIDLEGILNFHIB-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2ccc(F)cc2)cc1C 57685733 PKQVRVKHKMCRKY-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCc1cc([C@H](C#N)Cc2cccc(Cl)c2)ccc1OC 57736459 HRQQIZRDFPBWFR-INIZCTEOSA-N 299.801 4.761 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(=O)NC)ccc1C 59460460 MCYWITDPICQKJZ-OAHLLOKOSA-N 290.451 4.516 30 10 CJEE CCC1(CC)CCN([C@H](CC#N)c2ccccc2)CC1 62953848 WAIOQXIPIOTMDG-QGZVFWFLSA-N 270.420 4.544 30 10 CJEE Cc1ccc(Oc2cccc(Cl)c2C#N)cc1C 70139503 BHCVIQVYYQFUOA-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cccc(OCCCC#N)c2)C1 71118621 AQGSKHPSIVPNAZ-JKSUJKDBSA-N 286.419 4.750 30 10 CJEE CC(C)(C)c1oc(-c2cc(F)ccc2F)cc1CC#N 77084921 VUMWRSNYTGEZJA-UHFFFAOYSA-N 275.298 4.588 30 10 CJEE COc1cc(C)c(C(=O)/C=C/c2sccc2C)cc1C 83203869 IWTBWEUNRMGZJE-AATRIKPKSA-N 286.396 4.578 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccccc2C#N)CC1 86954381 DDWONPAYFXYEBP-CVEARBPZSA-N 270.420 4.965 30 10 CJEE CCC1CCC(C#N)(Cc2c(Cl)c(C)nn2CC)CC1 89306158 QRSJYNVTHXZLKN-UHFFFAOYSA-N 293.842 4.518 30 10 CJEE Cc1cc(C#N)c(-c2c(F)cccc2Cl)cc1C 90562907 QMKLOWQPZQQMQW-UHFFFAOYSA-N 259.711 4.635 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2COc3ccccc32)C1 92307658 JDHJBUCCKWXFJS-IIDMSEBBSA-N 269.388 4.663 30 10 CJEE CCCCCCCCCCCCN1CCC(NCC)CC1 109648376 WJBBZQWHTKWZCB-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE CCCCCCC[C@@](C)(NCC)c1nc2c(s1)CCC2 109689890 OOBPHKPFSOGCMD-QGZVFWFLSA-N 294.508 4.817 30 10 CJEE CCCCCCC[C@@](C)(CN)N(CC(C)C)CC(C)C 110017264 ZDDAUNLIIVLCFW-SFHVURJKSA-N 284.532 4.678 30 10 CJEE CCCCCCCCCCCCNC1(CO)CCCC1 110168860 MGTXKENRAYLMRQ-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE CCCc1ccc(Nc2cc(Cl)ccc2C#N)cc1 110254399 QFYPEZITEPQLLC-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)ccc1OC 115062600 TZMTXFSXRUIYFA-OAHLLOKOSA-N 267.388 4.585 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc2c(c1)COC2 115860083 BLLNRRCILZITOP-GOSISDBHSA-N 276.420 4.891 30 10 CJEE CCCCCCCCc1nc2c([nH]1)C[C@@H](C)C[C@@H]2C 122438116 UKNRTHJLZMXLCF-KBPBESRZSA-N 262.441 4.999 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CSc3ccccc32)cc1 123374194 CDBUMKNWLKBPHQ-INIZCTEOSA-N 294.423 4.747 30 10 CJEE CCCCCCCCC[C@@H](Cc1cccc(Cl)c1)NN 125370940 ZFILXQVOOLDUGE-KRWDZBQOSA-N 296.886 4.855 30 10 CJEE Cc1cc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1C#N 126902748 IXDVOWYTOZQAAQ-VHSSKADRSA-N 271.404 4.706 30 10 CJEE CCCCN(c1ccccc1)c1c(F)cc(C#N)cc1F 127452863 WKUFYKFKPWBWMB-UHFFFAOYSA-N 286.325 4.775 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](OCC)C(C)C 128655674 JLYBMFICKFMTNC-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@H]1CNC1CC1 133632362 UKEKEOBNFRIZTR-CVEARBPZSA-N 251.458 4.905 30 10 CJEE CCCC[C@H](CC)COc1cccc(SC)c1C#N 136709409 QHBZHXFJEVFLIB-ZDUSSCGKSA-N 277.433 4.875 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(N(C)C)cc1 139501855 AERVDDCFYMSYDP-GOSISDBHSA-N 276.468 4.893 30 10 CJEE CCCCCCC[C@H](N)[C@@H](C)Oc1cccc(Cl)c1 139609807 HZTUVNZFTHBWGG-CJNGLKHVSA-N 283.843 4.795 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cc(F)ccc1Cl 158916037 WFDHZRVXNFALIW-MRXNPFEDSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CCCCS1 161236194 DKJLQUXTYVZQIL-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCN1CCc2cc([C@@H](C)N)ccc21 162087131 KJOFHUMERBNIPW-MRXNPFEDSA-N 288.479 4.819 30 10 CJEE CCC1(CC)CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 164485080 SGRDTHXIIDPDAE-UHFFFAOYSA-N 296.336 4.594 30 10 CJEE CCCCCCCCCCC[C@@H](NC)C1CCOCC1 165041680 XYLPVQSTNSSDNX-GOSISDBHSA-N 283.500 4.922 30 10 CJEE Cc1cc(C#N)ccc1COc1cc(C)c(Cl)c(C)c1 165553967 LZKCGNHUVHYDLZ-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE N#C[C@H]1CCCC[C@@H]1SCc1ccc(Cl)cc1 165997216 IFFYEEJLGMIQPV-OCCSQVGLSA-N 265.809 4.656 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 167720949 GQHHDWPYGYXMBP-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCCOCc1ccc(C=O)o1 168199404 JBLKATJNISLEAT-UHFFFAOYSA-N 266.381 4.749 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N2CC[C@@H](C)C[C@@H]2C)C1 217945540 KPSHBEFTQTZIOF-MDMSPXHWSA-N 290.495 4.851 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc(C)cs2)C1 222261059 ZURRWDYHLKRELC-AGIUHOORSA-N 280.462 4.652 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(C)CCC(C)C)C1 222795202 IBZFBIDPSYNMOA-BBWFWOEESA-N 278.484 4.709 30 10 CJEE CCCC[C@@H](CCC)n1c(S)nc2c(C#N)cccc21 225795569 PESHNRZGFGVQRJ-CYBMUJFWSA-N 287.432 4.728 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CCCC1(C)C 226908523 XIMIIOCVZMVQPS-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CC(C)c1ccc(OCCCCC(C)(C)C#N)cc1 232762809 CLXRHGNNCVJIQD-UHFFFAOYSA-N 259.393 4.909 30 10 CJEE C[C@H]1CCCC[C@H]1Oc1ccc(C#N)c2ccccc12 235559795 KIJFDRITFZVRPR-SUMWQHHRSA-N 265.356 4.669 30 10 CJEE C=CCCCCC[C@@H](N)c1csc(Br)c1 236316313 LWLTZLRVAHZKEQ-LLVKDONJSA-N 288.254 4.647 30 10 CJEE C=CCCCCC[C@@H](Cc1ccccc1Cl)C(=O)O 236436064 HFTBOLDUSDVUCQ-AWEZNQCLSA-N 280.795 4.720 30 10 CJEE CCCCCCC[C@H](C)NN1[C@H](C)CCC[C@H]1C 250829966 QFIOKALYJASSAX-ARFHVFGLSA-N 254.462 4.503 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)C(C)C)C1 252408934 JMYHKSLFDFEOGB-QBPKDAKJSA-N 278.484 4.707 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(CCC(C)=NO)cc2)C1 252464108 FCPMRCBATWVWHD-CRAIPNDOSA-N 289.419 4.817 30 10 CJEE Cc1ccc(C(=O)/C=C\c2cnc(C3CCCC3)s2)o1 255772760 OCEDNNGEDSRILT-FPLPWBNLSA-N 287.384 4.598 30 10 CJEE CSc1cc(C[C@H](C)C#N)cc(SC)c1SC 260143712 DWHWNPGDZFHUFS-VIFPVBQESA-N 283.487 4.554 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@@](C)(O)c2ccc(Cl)c(Cl)c2)C1 307891995 KPKJQZPDQSMAFG-ONERCXAPSA-N 298.213 4.531 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(CCC)CC1 311501958 FIWMYELIEWCDLH-INIZCTEOSA-N 268.489 4.929 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@]2(CC1)CC[C@](C)(CC#N)O2 312076473 QKRUHESBSQEXNH-USXIJHARSA-N 263.425 4.834 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(F)cc(OC)c1 312570529 RURJOBLCJZDSKC-QGZVFWFLSA-N 281.415 4.975 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCCCc2ccccc2)C1 316708661 BYYNHLCYDQHSNR-WMZOPIPTSA-N 258.405 4.795 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CCC3(CCCC3)O2)C1 317290097 KLPVCENQZQSLHE-IKGGRYGDSA-N 278.436 4.654 30 10 CJEE C=C(CC)C[C@@]1(CNCC(C)C)CCCC[C@H]1C 318573755 WJOBQGXXRMFUDP-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)cc1C#N)C1CCC1 325058089 WDIJYWORDDNCID-CQSZACIVSA-N 262.784 4.592 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccccc1C(F)(F)F 385013193 YIMRALCKDWFZDC-NSHDSACASA-N 271.326 4.568 30 10 CJEE CC[C@@H]1CCCC[C@@H]1/N=C1/N[C@H](C2CCCCC2)CS1 386099492 HRWGIZFYLIAVES-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE C=C(C)CCN[C@H](c1ccccc1)C1CCCCC1 386862958 JSKJHNDJEXHNFO-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CC[C@@H](CC)Nc1ncc(C(F)(F)F)cc1Cl 393749554 NFFWRFXUPPXYJO-SECBINFHSA-N 278.705 4.520 30 10 CJEE CCCCCCCCCCCCNC[C@]1(C)CCOC1 397156333 QQVCCRJXFFKIRI-SFHVURJKSA-N 283.500 4.924 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)CCc1cccc(C)c1 398187568 QLVNQRDIPWOWHA-SJORKVTESA-N 259.437 4.651 30 10 CJEE CCCCCCC[C@@](C)(CNCC)c1ccccc1 405665202 QAKDIAOGAVEAHD-SFHVURJKSA-N 261.453 4.914 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)c1cccs1 410379650 FSJDHDKZNGJRAR-ZDUSSCGKSA-N 285.412 4.609 30 10 CJEE C=CCCc1ccccc1NC(=O)C1(C)CCCCC1 548837428 QSEHECJLRUOKQP-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE CCSc1ccc([C@@H](C)Nc2cc(C#N)cc(C)n2)cc1 587866710 PCXVKWHWGPVGKR-CYBMUJFWSA-N 297.427 4.547 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@@H]1c1cccc(C#N)c1 616593587 JRYVFIGZPYSXCR-LJQANCHMSA-N 290.410 4.851 30 10 CJEE C#CCCCOc1c(Cl)cc(Cl)c2ccc(C)nc12 686893097 RXWGWXUFFPJXGL-UHFFFAOYSA-N 294.181 4.642 30 10 CJEE CO[C@@H]1CCCC[C@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688337967 NRSARPXYKKPDPQ-HUUCEWRRSA-N 277.452 4.938 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CCC1(C)C 694227272 KDQQWGDZLAWANI-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE C[C@@H](CNc1ccc(Cl)cc1C#N)C1CCCCC1 695702766 CBHNNZVHOBPJCV-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE O=CC1(CCCOC2CCCCC2)CCCCCC1 699952647 UUATUUMWHMNUJQ-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCOC2CCCC2)C1 701399073 FCMOZTJHUVVSDM-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE C#C[C@H](N[C@H](c1cccs1)C1CCCC1)C(C)(C)C 702291281 SSZIEQUWAXHRDT-HOTGVXAUSA-N 275.461 4.617 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc2cnccc12 702845119 JFDMSFFAENXRQM-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 709103180 BNMCHHCMZBPXNC-RISCZKNCSA-N 277.795 4.589 30 10 CJEE C[C@H](CC1CCCC1)/N=C1/N[C@@H](C2CCCCC2)CS1 712600481 XFDVUPUYZZOQGD-CZUORRHYSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1csc2ccccc12 715758361 MTHBBRWVAPCTGN-LRDDRELGSA-N 259.418 4.764 30 10 CJEE CCCCCCCCCc1nc2c(s1)CC[C@@H]2C(=O)O 720997740 FWMUXMSLRDREIB-LBPRGKRZSA-N 295.448 4.551 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@@H]2C2CC2)NCCC)CC1 724602673 MSTFFXSNOIBEMS-GUDVDZBRSA-N 275.480 4.927 30 10 CJEE C=CCN(Cc1cccs1)C(=O)c1cccc(C(C)C)c1 1124442977 USUKBGYBGRTKRY-UHFFFAOYSA-N 299.439 4.700 30 10 CJEE C=CCN(CCc1cc(Cl)cc(Cl)c1)C(C)(C)C 1174641775 MERRSLCMQUHMDY-UHFFFAOYSA-N 286.246 4.822 30 10 CJEE CCCCCCCCCCN1CCS[C@H](C)[C@@H]1C 1191022460 SMIPIUDGTJAFMO-JKSUJKDBSA-N 271.514 4.953 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Cl)cc1OC 1191132331 KEFFKMIYFOETHI-UHFFFAOYSA-N 281.827 4.527 30 10 CJEE C=CC[C@H]1N(Cc2c(F)cccc2F)CCCC1(C)C 1193920750 PYWRQSFXLOMXKX-MRXNPFEDSA-N 279.374 4.532 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCc2cc(F)ccc21 1207724471 YPBUGMMPWUBCDW-SUMWQHHRSA-N 261.384 4.538 30 10 CJEE C=C(C)CN(CC)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1234353171 PJYBEEKIAQWXBC-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C=C1CCC(CNC/C(C)=C\c2ccccc2COC)CC1 1308511934 CYGAUMMIASSRCH-ATVHPVEESA-N 299.458 4.572 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(C)cnc1OC(C)C 1308780136 HBOKPEBQRCHTSW-HNNXBMFYSA-N 276.424 4.724 30 10 CJEE C=CC1(CC(=O)N[C@H](C)CCCCC)CCCCC1 1348216487 FVISYGCUTNXTDF-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=C(C)CCC(=O)Nc1ccc2nc(C(C)C)sc2c1 1356377979 LVOIZUSXLJQNKV-UHFFFAOYSA-N 288.416 4.715 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(SC(C)(C)C)cc1 1359916533 VGDYCVMLLZUURU-UHFFFAOYSA-N 277.433 4.728 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cccc([C@H](C)CC)c1 1437851269 GDWCPDJRUXXQKS-DYVFJYSZSA-N 259.393 4.741 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1CCCC12CC2)c1ccccc1 1438921443 OFFHWAPIFLBEEZ-ROUUACIJSA-N 297.442 4.781 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1Cl 1473662710 LLHTWVBGHFSQFX-OKILXGFUSA-N 282.214 4.676 30 10 CJEE C#Cc1ccc(N[C@H]2CC[C@H](CCC(C)C)C2)cc1 1474743582 QAKCDLDXPDYFGJ-WMZOPIPTSA-N 255.405 4.685 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](CC)CC(C)C 1518875319 RAYYIAWTUGFBJE-HNNXBMFYSA-N 273.420 4.816 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(F)cc1OC(C)(C)C 1519491788 KKNTWLJXQIZOLV-UHFFFAOYSA-N 293.382 4.544 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)CCC(C)(C)C)c1ccccc1 1531894966 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2263895386 GYLGSNCMLNWOJI-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC[C@@H](C)C1)CNC1CCC1 2265037237 HSXUAGLUGLHICF-JFIYKMOQSA-N 263.469 4.927 30 10 CJEE CC1(C)CCO[C@@H](C[C@@]2(C#N)CCCC(C)(C)C2)C1 2265620100 OCFISNCDSQCSKR-PBHICJAKSA-N 263.425 4.692 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(N)CC=CC#CC(C)(C)C 2268750848 PZZRLGOMSPQZSF-CRAIPNDOSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)cc(Cl)c1 2268755048 OXXHYBABINSLOW-HNNXBMFYSA-N 296.241 4.989 30 10 CJEE C=CCCCOc1c(C)sc(CN[C@H](C)CC)c1C 2269402300 HVXNZOGNNJRSJK-GFCCVEGCSA-N 281.465 4.598 30 10 CJEE C=CCCCS[C@@H]1CC2(CCC2)CC[C@H]1NCCC 2271485735 PZZSLCSQAOWRFX-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=CCCCCCCCSCC(C)(C)C(=O)OCC 2271492969 PKRUADYQMLEPOK-UHFFFAOYSA-N 286.481 4.836 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(C)c(F)c1F 2273936024 JPZIGNHAYIPZJH-AWEZNQCLSA-N 269.379 4.504 30 10 CJEE CC1(C)CCC[C@@H](C(=O)CC#CC2CCCC2)CC1 2274141493 ZHSRLZPLDPAGDH-MRXNPFEDSA-N 260.421 4.746 30 10 CJEE C=CCCCCCC[C@](C)(CCC(C)C)OCCN 2276153954 MFSFZSSDSOVJBV-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2csc(Cl)c2)CCC1 2276657220 DVSWKRAYDNRNOO-CYBMUJFWSA-N 299.867 4.554 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@H]([C@@H](C)CC)O1 2278126566 FCHHERSEPLIRAB-GVDBMIGSSA-N 269.473 4.878 30 10 CJEE C=C[C@@H](C)O[C@@](C)(CCCCCCCCC)C(=O)O 2278177663 WGNLLWXWHLXYDC-ZBFHGGJFSA-N 270.413 4.562 30 10 CJEE CC=C(C)[C@](C)(CCCCCCCCC)OCCN 2278242228 IEXPWYLBPQTBHH-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CC[C@H](CNc1cc(C)c(C#N)c(C)c1)CC(F)(F)F 2280591540 MDJQGGQDDNPTSZ-LBPRGKRZSA-N 284.325 4.566 30 10 CJEE CN[C@@H](c1ccccc1)[C@@H](C)CC=CC#CC(C)(C)C 2284085913 KMCJREWUDBQAHL-FUHWJXTLSA-N 269.432 4.579 30 10 CJEE COc1cccc(Cl)c1C(=O)CC=CC#CC(C)(C)C 2284089487 PZIWNQIZXXJZGY-UHFFFAOYSA-N 290.790 4.527 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CC=CCC1 2284101399 RNELYWLETPRZGN-MSOLQXFVSA-N 273.464 4.707 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cccc(C(F)F)c1 2284108598 HMLPHAQTKJYBKC-HNNXBMFYSA-N 277.358 4.620 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1CC(C)(CC)C1 2284164531 MAASOMQSRYRMBF-TVRKMHQQSA-N 275.480 4.787 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C(C)(C)C1CC1 2284166155 HARZEXFKFMBFTM-QGZVFWFLSA-N 275.480 4.787 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CSCCC1CCC1)NC(C)C 2285654397 CWNOJZDUMXAXDF-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE C=CCCCCCCC[C@H](O)c1cnc(OC)c(Cl)c1 2287246991 VDXNLYRCGRNIMX-HNNXBMFYSA-N 297.826 4.694 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2287468692 XTZHZZMKRNQSFL-RSQDCSKSSA-N 275.480 4.783 30 10 CJEE C=C[C@H](C)CCN(C)CCCCCCCCCCCO 2288897268 YKLMDMGWRLWMTP-SFHVURJKSA-N 283.500 4.634 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1C(C)=CCC[C@H]1C 2289612589 OGOWZSLYVBAANM-BHIYHBOVSA-N 273.464 4.541 30 10 CJEE CCN[C@H](CC#CC1CCCC1)[C@@H]1CCCC(C)(C)C1 2289855667 UOZYQQVRPDRASV-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@H](N)[C@]1(O)CC(C)(C)CCC1(C)C 2290230317 QSYXLKOJASZMBW-MAUKXSAKSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@@]1(C)C[C@H]1C 2290633495 WXVOJTZYWBNBPB-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1CCC(F)(F)C1 2293197258 TXVPRWQGWQSQQK-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)cc1F 2293268904 NPURFGLCYOJQMM-INIZCTEOSA-N 299.817 4.632 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)cc1C 2293269665 UIKRYERQERFCAP-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)c(C)c1 2293293909 VWUQQCAHJURVHV-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=C(CC)C[C@@H](OCCCN)c1ccccc1C(C)C 2293839711 JXSWAFNQNKVHDM-GOSISDBHSA-N 275.436 4.573 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CC(C)(C)CC[C@@H]1C 2293890857 SVCWJWFLXXQTQA-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(C[C@@]1(C)C[C@@H]1C)OCCCN 2293969364 YWASTBMUKSQVHU-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@@H]2C[C@H]2C1 2294452481 JYBJWCSKLYCUHZ-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CC1(C)COc2ccc(OCCCCCCCS)cc21 2294698953 LHEQMXYHFVBQNA-UHFFFAOYSA-N 294.460 4.616 30 10 CJEE SCCCCCCCN1CCC(c2ccccc2)CC1 2294778197 ZFKSSCSFVMTSGA-UHFFFAOYSA-N 291.504 4.746 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H]1CC[C@@H](C)C1 2295597662 YEZXGPOQEHOHQK-RYRKJORJSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)CN(CC)CC 2295680224 XDSAZWFFUDEHBE-QZTJIDSGSA-N 284.532 4.836 30 10 CJEE CC=C[C@H](NCCC)[C@](C)(O)CCCCCCCCC 2295682365 PKOPJSNIHANVLH-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](C)C(=O)NC12CCC2 2295687227 RTENQBXWZWVTFA-WBVHZDCISA-N 279.468 4.822 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1ccc(Cl)c(Cl)c1 2298823704 FTFNASXAGCZLIZ-ZANVPECISA-N 290.259 4.691 30 10 CJEE C=CC[C@H](C)Sc1c(C(C)=O)ccc(Cl)c1F 2298883969 NPLFEZPRANVTLS-QMMMGPOBSA-N 272.772 4.738 30 10 CJEE C=CC[C@](C)(N)CCCc1cc(Cl)cc(Cl)c1 2302388133 TXRHZSUDKALDOR-AWEZNQCLSA-N 272.219 4.610 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@@H](SC)C1 2314270974 GTVSIBAIHALJTK-IYBDPMFKSA-N 269.498 4.586 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](C)(CC)C(F)F 2315004319 SRDFPVDDCYOFFO-HIFRSBDPSA-N 261.400 4.912 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1N 2315459107 UEIUZFZIBJJUBP-RNCFNFMXSA-N 285.218 4.732 30 10 CJEE CCC(=CC(=O)c1cc(F)ccc1C(F)F)CC 2316368450 ZPEMBCKTRSFMAE-UHFFFAOYSA-N 256.267 4.692 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@]1(C#N)CCC(F)(F)C1 2320319657 ZUUHJAWYMLZFHC-YRGRVCCFSA-N 255.352 4.778 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc2ccccc2s1 2321112225 DDUHKFWHLCHCDI-OAHLLOKOSA-N 259.418 4.764 30 10 CJEE Cc1ccc(OC[C@](C)(CS)C(C)(C)C)c(C)c1 2327101086 WTSVWVZNFDTVNM-MRXNPFEDSA-N 266.450 4.664 30 10 CJEE COC1(CSC[C@](C)(CS)C(C)(C)C)CCCC1 2327274027 HXMJIULTGRUGPF-AWEZNQCLSA-N 290.538 4.661 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 2330481258 MEVUTDSHVXITFX-UHFFFAOYSA-N 299.801 4.770 30 10 CJEE C=C1CC(C[C@@H](NCC)[C@@]2(C)CC[C@@H](C)C2(C)C)C1 2331379118 LAMVJWRFWSZJIW-QGPMSJSTSA-N 263.469 4.783 30 10 CJEE C=C([C@@H](NC)[C@@H]1C[C@H]1C1CCCCCC1)[Si](C)(C)C 2332721992 CWOZVACXXLJPFY-GVDBMIGSSA-N 279.544 4.615 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2ccccc2s1 2335106321 VYLJGSORISVATK-UHFFFAOYSA-N 272.369 4.579 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCCC[C@@H]1NC 2335189984 DRVLVKUDFBNRJG-IRXDYDNUSA-N 281.509 4.941 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1ccc(C(C)(C)C)cc1 2335206719 NGNWESBXVAOOCR-BBRMVZONSA-N 277.477 4.682 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)c(C)c1 2335229000 GBZBCDOPUJQTEF-LSDHHAIUSA-N 277.477 4.940 30 10 CJEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cccc(Cl)c21 2337072155 CNLXHDYJZMFCEK-GXFFZTMASA-N 292.835 4.896 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@]1(C)CCCCC1(F)F 2337146277 MQVCJKZULGYQDW-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2cc(F)ccc2C(F)F)C1 2338028155 RVPZCYCSYRPMMU-ZUZCIYMTSA-N 267.294 4.636 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC)CCCCC1(C)C 2338730430 QKPVPRSMLAYTQZ-GOSISDBHSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2338733151 PKRXOAGICLBBMS-KSZLIROESA-N 263.469 4.805 30 10 CJEE CCCCC#CCNCCCc1cc(Cl)cc(Cl)c1 2341167905 QMCHBXZQKKJYBQ-UHFFFAOYSA-N 298.257 4.709 30 10 CJEE C=CC1(CNC[C@@H]2CC[C@@H]2C(C)(C)C)CCCCC1 2343268603 MTPNNIVWBDCGAR-HOTGVXAUSA-N 263.469 4.785 30 10 CJEE C=C(C)CC[C@@](N)(CC)c1ccc(C(F)(F)F)cc1 2343894716 VHDOLTMKRUKZKV-AWEZNQCLSA-N 271.326 4.626 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H](C)CC(F)(F)F)NCCC 2344342079 HDIOJMKNCBEGFN-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]1C1CCCC1)NCC 2344344783 UFZVEYYFTSREOO-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE CNc1cccc(C#Cc2cc(Cl)c(C(F)F)s2)c1 2345057155 GUEYHYIOKUHAIZ-UHFFFAOYSA-N 297.757 4.781 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@H](C)C[C@@H]1C 2352029406 YKVUXAGWLFFHIH-HEHGZKQESA-N 282.449 4.520 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cc(C)ccc1C(C)C 2352928955 ACAKSVZPWKVITA-SJLPKXTDSA-N 257.421 4.735 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCC[C@H]1N 2354627812 BNSRPMDZKYQHCA-KZNAEPCWSA-N 283.500 4.786 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2357480119 BMPOJAUXDNIVJY-ICBNADEASA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)S[C@@H](CC)[C@@H](NC)c1ccccc1 2360202031 KGRFXJNJPBOJJJ-ROUUACIJSA-N 289.488 4.980 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)CCCC(C)C)cc1 21050096 YALTXERNERSASK-INIZCTEOSA-N 275.436 4.556 30 10 CJEE Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1cccc(C#N)c1 37203296 QFHHKVAQFOBEBE-NSHDSACASA-N 299.443 4.794 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(C#N)c(Cl)c2)c(C)n1 37253452 CAJZEEHDFXHZAN-CYBMUJFWSA-N 299.805 4.705 30 10 CJEE C[C@@](C#N)(CCOc1ccc(Cl)cc1)c1ccccc1 57687436 SUGSHUSXAIQXPB-KRWDZBQOSA-N 285.774 4.590 30 10 CJEE Cc1ccccc1[C@@H](C#N)Cc1cccc2ccccc12 57739098 BOPLVNDHNQTMAQ-GOSISDBHSA-N 271.363 4.998 30 10 CJEE CC(C)c1oc(-c2ccc(Cl)cc2)cc1CC#N 77078888 YIYCVWKYCXVCFB-UHFFFAOYSA-N 259.736 4.789 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2sccc2C)cc1 83204705 LRWBDAKZLIXIRN-CMDGGOBGSA-N 286.396 4.741 30 10 CJEE N#CC1(Cc2ccc(Cl)c(Cl)c2)CCCC1 83775674 CIPZDDKVMSMHMK-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE COc1cccc(N[C@]2(C#N)CCC[C@@H](C(C)C)CC2)c1 86949191 XYCSVRIXDAQIPV-CRAIPNDOSA-N 286.419 4.606 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](C#N)(NCc2ccccc2)CC1 86959706 GGTZZLVEYKIBMB-HKUYNNGSSA-N 284.447 4.665 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccc(Cl)cc2)CC1 87940163 YPFMEVZLZHXMPK-UHFFFAOYSA-N 261.796 4.993 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 91884080 YSNIVOAJPGQNEP-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CCCC(CS)(CCC)COCc1ccccc1 94583573 YMTAHTGOSNVPCQ-UHFFFAOYSA-N 266.450 4.720 30 10 CJEE SCC1(CSCc2ccccc2)CCCCC1 94589024 KOLQWKFJJPCMHL-UHFFFAOYSA-N 266.475 4.800 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2C)cc1Cl 104001458 CPUZVKHQEDQXCX-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC[C@H](C[C@@H]1O[C@H]1C)c1c(Cl)cccc1Cl 107501874 NJHCZFIVSYMQGP-SBMIAAHKSA-N 259.176 4.664 30 10 CJEE Cc1cc(C)c(OCC(C)C)c([C@H](C)CCC#N)c1 107666187 GTHSLIMPVUWVLZ-CQSZACIVSA-N 259.393 4.746 30 10 CJEE CCCCCCCCO[C@](C)(CC)CNCCC 110160587 UPKHDWVUSCEWLE-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCN(CCC)[C@@]1(CN)CCC[C@H](C)C1 110520334 QELPLXNGJNJFLF-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCCC[C@@H](N)C(C)(C)N(C)C 118138350 DBWYMBNPHLHJED-QGZVFWFLSA-N 284.532 4.965 30 10 CJEE CCCCCCCCCCCCOCC(C)(C)CO 122813092 GNDMXBQAIFZJTB-UHFFFAOYSA-N 272.473 4.942 30 10 CJEE C[C@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 125676051 GEQFQKMKNCJVLH-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(F)cc2C#N)c2ccccc21 126329594 BTMXEABVGJDSBV-KZULUSFZSA-N 280.346 4.748 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)ccc1Cl 127620687 FDBQWGNRHOOFTD-CQSZACIVSA-N 257.780 4.839 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNCC(C)C 156100162 WOOPDQHQFVGEDR-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCCC 156230784 CTBXTDLILRWKGM-ARFHVFGLSA-N 251.458 4.641 30 10 CJEE C=C(C)CC[C@H](NC)c1c(Cl)cccc1Cl 156924400 CBGMRSDLKMAEII-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC(F)F)cc1 158166390 JZIZRLQAFAFQPV-CQSZACIVSA-N 271.351 4.648 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(CC)OCC 163987174 KATWWKMEMPWQKI-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](O)Cc1cccc(F)c1Cl 166516973 PNOCNJFXQQDDFF-ZDUSSCGKSA-N 272.791 4.743 30 10 CJEE CSc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1C#N 167608610 YFQODBJLAXIQOC-DZGCQCFKSA-N 288.460 4.907 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C1CC1 189883795 UJPPSDQJXMFHKZ-ZDUSSCGKSA-N 271.404 4.523 30 10 CJEE N#C[C@H](C(=O)CCC1CCCC1)c1cccc(Cl)c1F 213801546 ODNCBEFGDVRSTH-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE CCCC[C@H](CCC)Nc1sc(C#N)c(N)c1SC 226163673 IXVLVANLDKEIER-JTQLQIEISA-N 297.493 4.695 30 10 CJEE C[C@H]1C[C@H]1c1ccc([C@@H](O)C2(C#N)CCCCCCC2)o1 227042441 CSPXMIZKFGMFCX-JJRVBVJISA-N 287.403 4.691 30 10 CJEE CCCCCCCCOc1c(F)cccc1[C@@H](C)NC 232933103 XUFNAAQDCXAZGK-CQSZACIVSA-N 281.415 4.845 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1CNCC 233560944 VUZUSJGUZOXCGY-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CCCCCCCCC(=O)[C@H](CC)NC(=O)OC(C)(C)C 238205314 DBIALBNOLMPDLR-AWEZNQCLSA-N 299.455 4.609 30 10 CJEE CCCC[C@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 302447915 UXTPTCAHLMRJDA-JQWIXIFHSA-N 298.213 4.996 30 10 CJEE C[C@H]1CC/C(=C/B2OC(C)(C)C(C)(C)O2)c2ccccc21 307669383 SGMGPZDOEIMXDT-BSHRGCEOSA-N 284.208 4.599 30 10 CJEE CC(C)(C)c1ccc([C@H]2CC[C@](C)(CC#N)O2)cc1 311462968 WFTBTVUVIIOVPU-NVXWUHKLSA-N 257.377 4.508 30 10 CJEE CCCCCCCCCCNCC1(COC)CCC1 311830010 OWUMZAKNWNRUNN-UHFFFAOYSA-N 269.473 4.533 30 10 CJEE COCC1(CC2(C#N)CCC(C(C)(C)C)CC2)CCC1 312466204 FZHWYOBTTLNALK-UHFFFAOYSA-N 277.452 4.939 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cnc2ccccc2c1 312479014 GYRFOJCRRIGJCZ-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CC[C@@H]1CCC[C@H]([C@]2(C=O)CCc3ccccc3C2)C1 316849398 IQGBFFWFAGAGSW-AYOQOUSVSA-N 270.416 4.577 30 10 CJEE CC1(C)CCC(C=O)([C@@H]2C[C@H]2c2ccccc2)CC1 317287442 USLLZVHHRFMKLY-JKSUJKDBSA-N 256.389 4.576 30 10 CJEE CC(C)c1csc(N=C(O)c2ccoc2C(C)C)n1 331079568 KTHVSFYLTUEDCN-UHFFFAOYSA-N 278.377 4.619 30 10 CJEE CCC(CC)(C(=O)CC#CC(C)(C)C)c1ccccc1 379900934 CXNSPWHFSCLLHH-UHFFFAOYSA-N 270.416 4.753 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 380226627 KOGSHMDWHGBSQP-HQRZJTNHSA-N 279.305 4.749 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cccc(OC(F)F)c1 380410293 DTSQFTGCSDIKID-LBPRGKRZSA-N 283.362 4.541 30 10 CJEE CCCCCCCOCc1cccc(C(=O)OC)c1Cl 382101913 KBDBMGKKTRCUKK-UHFFFAOYSA-N 298.810 4.614 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](C)C(C)(C)O 382769708 AHXGJMBIOXVPFN-QGZVFWFLSA-N 285.516 4.999 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1csc2ccccc12 384705838 CDABKDGQTJGTHH-CSMYWGQOSA-N 285.412 4.655 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC[C@@H]2C)c(Cl)c1 384857168 MDPWMFGCCRWFQE-BBRMVZONSA-N 261.796 4.911 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)cc1F 394933769 AEYUMNXDUAXLJQ-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE Cc1cc(Cl)cc([C@@H](C#N)Nc2ccc(Cl)cc2)c1 395221524 NXWXBGWWBFCBEP-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCCCCCCCCNC(C)(C)COC(C)C 396365166 OJXMEFIOCQFYNY-UHFFFAOYSA-N 271.489 4.920 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H](C)C[C@H]1CC 399658939 KOJFCDGKCGIOLO-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1csc2c1CCCC2 399864381 PAVQAWLEYAIAIK-MRXNPFEDSA-N 289.488 4.717 30 10 CJEE C=CCCCCc1cc(Br)ccc1C 404490332 RMRMUYWLQOABGE-UHFFFAOYSA-N 253.183 4.656 30 10 CJEE N#CCc1ccc(-c2cc(Cl)cc(Cl)c2Cl)nc1 514263591 JZTFNZSKMAAUSU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCc1ccccc1NC1CCC2(CCCO2)CC1 574340897 AVGQSHOPJRFUCU-UHFFFAOYSA-N 285.431 4.709 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)C[C@@H](C)O[C@H]1C 686455638 ZSWPKRDOBVKOHM-SOLBZPMBSA-N 281.484 4.673 30 10 CJEE C#CCCCCCSCc1ccc(Cl)cc1 686683357 XRVJPVVGOWBHBN-UHFFFAOYSA-N 252.810 4.767 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](C)C(C)(C)C 686696946 LNZALMRVTWECSR-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@H](CSc1ccc(C)cc1)NCC 686697197 IPAKPZATXBAZRW-QGZVFWFLSA-N 289.488 4.649 30 10 CJEE CCCCCCCCCC(=O)C[C@H](CN)C1CCCC1 686972099 LFRFBDIUIRMOQY-QGZVFWFLSA-N 281.484 4.851 30 10 CJEE CCCCCCCC[C@@](C)(O)Cc1ccsc1 690002433 PCFXCFCQHRWAMI-OAHLLOKOSA-N 254.439 4.792 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 692217607 AZTRUJQFMJQZOA-QFEFJCPZSA-N 273.464 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C(F)(F)F)C1 692236369 YQSHYLOZIBEOEN-QPSCCSFWSA-N 289.385 4.832 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@]12CCC[C@@H]1C2 693739064 YVSDIHCTACXZEW-NVXWUHKLSA-N 283.525 4.625 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cc(Cl)cc(Cl)c1 695782389 RFHUYYKLXICYRH-SECBINFHSA-N 272.175 4.701 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCN[C@@H]1C 696885792 IIXZIEAYMOUHJL-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(C(C)(C)OC)cc1 700545429 HWVMIBDFCHQKKX-QGZVFWFLSA-N 277.452 4.928 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCCC[C@@H]1C 710622929 ROQIPEOQTQSSIC-ZFWWWQNUSA-N 257.849 4.571 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2CCCC[C@@H]21 712381257 ACUYCXXIVVBOQY-VVLHAWIVSA-N 251.458 4.904 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)/N=C1/NC2(CCCCCC2)CS1 713284517 LXCDFHPMMAQOAT-GDBMZVCRSA-N 294.508 4.741 30 10 CJEE CCCCCCCN1CCc2c(Br)cccc21 713309870 NRZKYSVVVGJRBH-UHFFFAOYSA-N 296.252 4.782 30 10 CJEE C#CCCCCC[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714457142 QKHRHZOPSOAOIV-MLHJIOFPSA-N 262.437 4.538 30 10 CJEE CCCCCCCCCCCCNCCOCCC 715018638 QLSHSFFMECJLOS-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE CCCCCCCCCNc1cc(F)cc(C#N)c1 718619172 QZMSYFPSTMYNNQ-UHFFFAOYSA-N 262.372 4.860 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2cc(Cl)ccc2Cl)C[C@@H](C)O1 724287355 KGYQRSZICJWNJP-HBYGRHMLSA-N 298.213 4.633 30 10 CJEE C=C1CCC(C[C@@H](CSc2ccccc2F)NC)CC1 724574621 FVBJRZYNTTZVOM-HNNXBMFYSA-N 293.451 4.642 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2C[C@H]3CC[C@H]2C3)CC1 724587828 CAAQXWPBZCAQSG-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=CCCCC(=O)O[C@@H](C)c1sc(C(C)C)nc1C 779311344 RMJJBQHCMJTVQI-LBPRGKRZSA-N 281.421 4.535 30 10 CJEE Clc1cccc(NN=Cc2cccc3ccccc23)c1 1084563754 FYNDCENISCHQHR-UHFFFAOYSA-N 280.758 4.939 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1124738235 CZULDTAAZVKNNL-INIZCTEOSA-N 279.811 4.510 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CCSc1ccc(C)c(C)c1 1174771680 SGMIPHDEKGPHOA-CALCHBBNSA-N 287.472 4.579 30 10 CJEE C=CCCCN[C@H]1CCC[C@H]1c1ccccc1Cl 1181409908 HAIRVNHMNDEMBS-HOCLYGCPSA-N 263.812 4.532 30 10 CJEE CCCCCCCCCN1CCC(CC)(N(C)C)CC1 1196685202 SNVAQQQQVKBXJD-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE C=CCCC[C@H](NCc1cc(F)ccc1O)c1ccccc1 1207341242 LCSDVRIQJXWDHW-SFHVURJKSA-N 299.389 4.719 30 10 CJEE C=CCn1ncc2ccc(N[C@H](C)CCCCCC)cc21 1207695784 BBFAGWGQXIMVJK-OAHLLOKOSA-N 285.435 4.993 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CC)c2ccc(F)cc2)c1 1289567375 XUJYVMIKSSMHRI-GOSISDBHSA-N 297.373 4.991 30 10 CJEE C=CCCC[C@H](NCc1occc1C)c1ccccc1 1308503081 LWMRJLOGZUSGCO-KRWDZBQOSA-N 269.388 4.775 30 10 CJEE C=CCN(C(=O)c1cc2c(ccc3ccccc32)o1)C(C)C 1349925986 LVYZVYDRYIUNPZ-UHFFFAOYSA-N 293.366 4.623 30 10 CJEE C=CCN(Cc1cccs1)C(=O)CCCC[C@H](C)CC 1353295894 WXRXYQGAAGBYCZ-OAHLLOKOSA-N 293.476 4.869 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)CC1 1355552281 WUOHYWDUJCMWFU-ZDUSSCGKSA-N 291.822 4.606 30 10 CJEE C=CCN(C(=O)C[C@@H](c1ccccc1)C(C)C)C(C)(C)C 1437777349 VHRFYLNVGRNDRA-QGZVFWFLSA-N 287.447 4.629 30 10 CJEE C[C@H](CS[C@H](C#N)C1CCCCC1)c1ccccc1 1459059628 CQRAGDNXAPVOBW-RHSMWYFYSA-N 273.445 4.996 30 10 CJEE C=C(CC)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 1464631068 NRBSKVJKQWRYMN-HNNXBMFYSA-N 294.398 4.764 30 10 CJEE C=CCN(C(=O)[C@@H](C)CCCCCC)c1ccccc1 1525887330 GPRZKIXDBNMZMA-INIZCTEOSA-N 273.420 4.812 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)CCCCC 1528526553 BNXZSNGIQLAIAL-ZACQAIPSSA-N 279.468 4.844 30 10 CJEE C#Cc1cccc(N(C)C(=O)C[C@H](C)CCCCCC)c1 1530149298 PWLFWMPLQPDRFU-MRXNPFEDSA-N 285.431 4.627 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1 1531501468 DJCOHMVNHBWGTF-KCITZHQASA-N 299.458 4.677 30 10 CJEE C=CC(C)(C)CNC(=O)C1(c2ccccc2C)CCCCC1 1532581348 BUYZEPJBKGOXNH-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CC1(CC(=O)Nc2cscc2C)CCCCC1 1536212368 LVGRECNZAJWVBW-UHFFFAOYSA-N 263.406 4.522 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 1539589204 GHDMJQHGPFFQJA-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1 1539609575 RCTZKXHLIJERGA-UHFFFAOYSA-N 287.447 4.850 30 10 CJEE C=CCC[C@H](NC(=O)C1=CCCCCC1)c1ccccc1 1545981187 LIFJQOYFKIBKJS-SFHVURJKSA-N 283.415 4.701 30 10 CJEE C=CCCCCSc1nccn1-c1cc(C)cc(C)c1 1559340078 GPSRZFCMHUXHEG-UHFFFAOYSA-N 286.444 4.938 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 1560853462 ZFRMJCQHQWWFIE-IHRRRGAJSA-N 263.812 4.735 30 10 CJEE Fc1c(Cl)cccc1C#Cc1cccc(C(F)(F)F)c1 1614825442 HIDISRZTBGPYHB-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(CCC)cc2)c1 1616752069 KKMYPWFYDJHPDE-UHFFFAOYSA-N 279.383 4.925 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cccc(F)c1C 1623149865 YRFXFLFYFOMZDZ-UHFFFAOYSA-N 292.398 4.782 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(Cl)c(CCC)c2)cc1 1627494730 AAYLJJFTRGSUFG-UHFFFAOYSA-N 297.785 4.526 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(Cl)c(N(C)C)c1 1653136686 PASKZQGXTAZCKB-LBPRGKRZSA-N 266.816 4.563 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2c[nH]c3c(CC)cccc23)C1 1655622935 HFLGPQOZHXZEAR-MAUKXSAKSA-N 296.458 4.607 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C(C)C)cc2)C1 1656939092 HMUOWMNLZIJOMJ-MAUKXSAKSA-N 257.421 4.644 30 10 CJEE C=C(CC)CN1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1657514597 GLLUZWQRKRPIGS-NSHDSACASA-N 284.230 4.879 30 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4.642 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)Cc1c(F)cccc1F 2117009264 AEVZHDNDOXHCQV-INIZCTEOSA-N 263.331 4.617 30 10 CJEE CC1(C)CCC[C@@]1(C)Nc1cc(Cl)c(C#N)cc1F 2120886690 DZEOLZJBLJURAF-OAHLLOKOSA-N 280.774 4.731 30 10 CJEE C=CCCCC[C@@H](NC)[C@H](c1ccccc1)C(C)C 2123079650 GAQBQLCDNFXIAD-MSOLQXFVSA-N 259.437 4.761 30 10 CJEE C=CCCCC[C@H](NCCC)c1cc(C)cc(F)c1 2123085645 PJACKRLJIXDKGI-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=C1CC([C@@H](C[C@H]2CC23CCCCC3)NCCC)C1 2125666064 LUFSCXMILMVGPU-DLBZAZTESA-N 261.453 4.681 30 10 CJEE N#Cc1ccc(N[C@H]2CCCCCC23CC3)cc1Cl 2125968677 NRPGWCALWTUNRQ-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE CCCCCCCC[C@@]1(CNC)CCCOC1(C)C 2130451668 ICXBYIADWTVHSG-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC(C)C(CC[C@]1(C#N)CCC(C)(C)C1=O)C(C)C 2132750224 JJVJPXFGQIFBBY-QGZVFWFLSA-N 263.425 4.594 30 10 CJEE CC[C@H](C(C)C)[C@@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2134140861 DTSJMQALNRFYDD-BFYDXBDKSA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1cc(C)c(C)s1 2138193210 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2143533420 GBZCVDXQYJNDKP-QLFBSQMISA-N 294.508 4.597 30 10 CJEE CC[C@@](O)(CCC(F)(F)F)C1(C#N)CCCCCCC1 2144276559 LWIMIFGDBGYPPE-CQSZACIVSA-N 291.357 4.724 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC1=CCCC1)NC 2147923820 SVFGOMURHZWXSM-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)C1=CCCCCCC1 2148214586 FZYBGQNSHKZQBD-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@](C)(O)c1cccs1 2148588812 HWWRWINHNPLLRD-WBVHZDCISA-N 297.508 4.684 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@]1(O)CCC[C@H]1CC 2148623214 ZTTOLZRXDOHOCN-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCCc3cccnc32)C1 2148803137 CSANWTQQFKHMMZ-QGPMSJSTSA-N 268.404 4.612 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)[C@@H]1CCCCS1 2149851627 WBCNSPDBLWBLBK-ROUUACIJSA-N 293.520 4.614 30 10 CJEE CCSc1cccc(NC[C@@H]2[C@H]3CCCC[C@H]32)c1C#N 2150069480 TXUMSBVPZASGNX-NHAGDIPZSA-N 286.444 4.518 30 10 CJEE CC1(C)CCC[C@@](C#N)(CCC(C)(C)C(F)(F)F)C1=O 2150424008 XMQFOLVPGXPEPF-AWEZNQCLSA-N 289.341 4.644 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccnn1CCC 2150680588 QGFSDLXUHHQRBO-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE Cc1cc(C#N)nc(NC2CCCCCCCCC2)c1 2153463848 LATFMGJJYRMCAU-UHFFFAOYSA-N 271.408 4.567 30 10 CJEE CC(C)n1nccc1C[C@]1(C#N)CCCC(C)(C)CC1 2157114447 QVXGUEHMOQZOEJ-KRWDZBQOSA-N 273.424 4.507 30 10 CJEE C[C@@H]1CCC[C@H]([C@H](O)[C@]2(C#N)CCCC(C)(C)CC2)C1 2157116349 DHEXUZIDOGONOV-MUQADHOPSA-N 277.452 4.674 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1cc(F)ccc1C(F)(F)F 2158320699 NSQYTCAHCDJNRA-IINYFYTJSA-N 289.316 4.707 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C(C)(C)c1ccccc1 2158327598 KGUNNNHEHNMWRU-WMZOPIPTSA-N 273.464 4.935 30 10 CJEE C#C[C@H](Nc1ccccc1SCCC)c1ccccc1 2158455866 WSGAJNGMFIZDOH-INIZCTEOSA-N 281.424 4.975 30 10 CJEE CC[C@]1(C)CSC(=N[C@@H]2CCCC3(CCCCC3)C2)N1 2158600655 PAFCWZSFEQODFS-GDBMZVCRSA-N 294.508 4.741 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(C(C)(C)C)cc1 2158690547 ZBJSOTJZTFTBHD-AEFFLSMTSA-N 271.448 4.991 30 10 CJEE CC(C)(C)[C@H]1CCSC(=N[C@@H]2CCCC3(CCC3)C2)N1 2159227260 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C#CC(C)(C)C[C@H](NCC)C1CC(C)(C)CC(C)(C)C1 2167605551 AEPUDZQEAFLAEY-INIZCTEOSA-N 277.496 4.867 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@]1(C)CCCC1(F)F 2167937033 GICXPGIUZRFBFM-GOEBONIOSA-N 285.422 4.620 30 10 CJEE N#CC1(C[C@@H]2CCCC3(CC3)C2)Cc2ccccc2C1 2169094434 USTJDTFQUYHIAO-OAHLLOKOSA-N 265.400 4.656 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@@H](O)CC 2170619040 SPCPRZSCBIZGPJ-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE CN(CCCCCC#N)CC1(C(F)(F)F)CCCCC1 2173250880 SZCJBJKLFYBWCC-UHFFFAOYSA-N 290.373 4.515 30 10 CJEE CC[C@@](O)(C1CCCC1)[C@]1(C#N)CCCCC12CCC2 2173610202 ALWPYLVXVJQXRX-ZWKOTPCHSA-N 275.436 4.572 30 10 CJEE CC(C)[C@@H]1[C@H](C)CC[C@]1(O)[C@]1(C#N)CCCCC1(C)C 2173632789 JGHAJZTZUZKPHN-XYVMCAHJSA-N 277.452 4.530 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1C[C@@H]2CCCC[C@H]2O1 2173655367 LKLHMRUGGSBIJZ-LISAXSMJSA-N 278.436 4.510 30 10 CJEE CSc1cccc(NC[C@@H]2CCC[C@@H]2C(C)C)c1C#N 2176538528 HSXOLUCOQFDKPE-UONOGXRCSA-N 288.460 4.764 30 10 CJEE C[C@H](C[C@](C)(O)[C@@]1(C#N)CCCC(C)(C)CC1)C(F)F 2177873749 ZPTVXJOYMHQZJK-KCXAZCMYSA-N 287.394 4.529 30 10 CJEE C#CCOc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1 2179320417 ASIHDCCTDYQTAU-CYBMUJFWSA-N 285.774 4.525 30 10 CJEE C=CC1CC(N(C)Cc2csc(C3CCCCC3)n2)C1 2182250046 NPUBHHGDIJMNQQ-UHFFFAOYSA-N 290.476 4.587 30 10 CJEE CN(Cc1ccc(C2CC2)cc1)C[C@H](CS)C(C)(C)C 2183135677 PEZJELAKZVNNDF-QGZVFWFLSA-N 291.504 4.588 30 10 CJEE C=CCC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@H](C)CC 2187294709 QQGBGLLVMAKLMX-GDBMZVCRSA-N 274.404 4.714 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H](C)C1(C)CCCC1 2187767761 UGFJQCKXFTUFEH-IAGOWNOFSA-N 282.516 4.575 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCCC2)CCC1(C)C 2188509390 DVMIHSZHTSNZCL-LJQANCHMSA-N 275.480 4.766 30 10 CJEE C#CC[C@H](N[C@@H]1CCCC[C@@H]1C1CCCCC1)C1CC1 2188571017 ZMKNCEHTFZTTDS-CEXWTWQISA-N 273.464 4.517 30 10 CJEE O=C[C@@]1(Cc2cccc(C(F)F)c2)CCCCC12CC2 2189389977 KPISNTFSXJCSHP-KRWDZBQOSA-N 278.342 4.706 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@@H]1CC2(CCCCC2)O1 2189613318 BOQUNJPOFAXFJI-WBVHZDCISA-N 278.436 4.654 30 10 CJEE 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163426858 FURRZRHJWTXFJT-UHFFFAOYSA-N 265.790 4.565 30 10 CJEE CCCCCCCCCC[C@]1(CNC)CCO[C@H]1C1CC1 166168698 RSIBKDAHRGDMMN-RBUKOAKNSA-N 295.511 4.922 30 10 CJEE C=C(CC)C[C@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 212267926 NYJFOFHFYFBWHS-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C=C(C)C[C@H]1C[C@H](C(C)C)CC[C@H]1CNCC(C)C 212288999 SQQKYWBBYQMSEW-SQNIBIBYSA-N 265.485 4.887 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc3c(c2)CCC3)C1 222269984 GMOVLPWTRCQORI-PVUWLOKVSA-N 271.429 4.596 30 10 CJEE CCCCCCCCCC(=O)[C@@H](OCC)C1CC1 227420730 CWRXQTMFNLUFOW-INIZCTEOSA-N 254.414 4.511 30 10 CJEE N#Cc1cc(F)cc(Oc2cccc(C(F)(F)F)c2)c1 227634297 FORMTSIACNWBAQ-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCCOc1ccc([N+](=O)[O-])c(C(C)=O)c1 228263560 YBCHOABVMARGEQ-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE C=CCC[C@H](C)Nc1c(Cl)ccc2scnc12 228818759 ALZRWGOWMHHMBB-VIFPVBQESA-N 266.797 4.716 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2cccnc2c1 228957511 BELVRMIIQXKZRJ-KRWDZBQOSA-N 270.420 4.985 30 10 CJEE CC(C)(C#N)CCCCNc1ccccc1Br 232515440 APURCJIBGRGWQM-UHFFFAOYSA-N 295.224 4.581 30 10 CJEE C=CCCCCC[C@H](O)C1(OCC)CCCCCC1 233736816 HDZVRAXGPRCATD-INIZCTEOSA-N 268.441 4.613 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(Cl)c(C)c1 235746954 CNSRUXXNZKIFNA-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE N#Cc1ccc(OCC2CCCCC2)c2ccccc12 236176468 MEGGUUSUWHBKBR-UHFFFAOYSA-N 265.356 4.671 30 10 CJEE CCCCCCCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250797757 BNDQIDWBXHOMDL-LTIDMASMSA-N 279.468 4.678 30 10 CJEE CCCCCCCN1C[C@H](C2CCCCC2)NCC[C@H]1C 250803059 DMQPURRUAVSBAI-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2 250827082 OEOQUVBCDMWGOD-DZKIICNBSA-N 252.398 4.628 30 10 CJEE C#CCC[C@H](NCCC)[C@H](c1ccccc1)[C@H](C)CC 253040077 KBUOMJXVSDQJKT-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE C[C@@H]1CCc2c(sc(N=Cc3cccs3)c2C#N)C1 254557116 HGYXXUSYHKZINQ-SNVBAGLBSA-N 286.425 4.557 30 10 CJEE Brc1ccc(N=C/C=C/c2ccccc2)cc1 254737994 YUMLRORLYJORNJ-RCYQAAHFSA-N 286.172 4.865 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@@H](C)[C@H]1C 300521435 PJSAPHFGKMKHPS-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE C=C([C@@H](NCC)[C@@H](CCC)CC(C)C)C(F)(F)F 308062578 VTQAXSDVLTYTLO-QWHCGFSZSA-N 265.363 4.545 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H](CC)CC(C)C 308066150 LEWPSIPTLFZZGN-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE C=CCCC[C@H](O)c1ccccc1OCc1ccccc1 309837766 IYUNTXXBJQCNRR-SFHVURJKSA-N 282.383 4.655 30 10 CJEE C=CCCCCC[C@@H](O)c1c(C)cccc1Br 310456785 DCCHIMLEBREQRV-CQSZACIVSA-N 297.236 4.927 30 10 CJEE C=C([C@@H](NCCC)C(C)(C)C(C)(C)C)C(F)(F)F 311166986 OFZZJNJSSAPVSU-LLVKDONJSA-N 265.363 4.545 30 10 CJEE CCCCCCC[C@H](C[C@H](C)C1CCCCC1)NN 311709772 NNXVAEPBMAMUDV-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE C=CCCCCCCNc1nc(CC)nc(Cl)c1C 312087938 XPUSNJFHAPISJY-UHFFFAOYSA-N 281.831 4.549 30 10 CJEE C=CCCCCCCNCc1cc2cccc(OC)c2o1 314420137 HYRCRWAZOLSEKP-UHFFFAOYSA-N 287.403 4.668 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)([C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 316615999 ALGLKQIESAJISM-BPKGMFCQSA-N 250.426 4.844 30 10 CJEE O=CC1(Cc2csc3ccccc23)CCCCCC1 316978411 KJECGONGRFRTQK-UHFFFAOYSA-N 272.413 4.983 30 10 CJEE CC(C)NC[C@@]1(CC#CC(C)(C)C)CCCC[C@H]1C 317483949 CYRYPWBFYPBMAX-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE CCCC1CCC(C=O)(CCSC(F)(F)F)CC1 317906516 QOVZKGGKCZICIL-UHFFFAOYSA-N 282.371 4.805 30 10 CJEE CC[C@@H]1CC[C@](CC#CC(C)(C)C)(CNC(C)C)C1 318025922 GYNOCJMKHQCSGC-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCC23CCCC3)C1 328120149 QSRNZOUVJQILTP-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CC(C)C[C@H](C)[C@H](C#N)c1c(F)cccc1Cl 380155456 JOIHGOSTQGBUBB-QWRGUYRKSA-N 253.748 4.768 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CCCCCC1 381061423 RWFJMTUSVDKOIE-OWCLPIDISA-N 261.409 4.588 30 10 CJEE C=C([C@@H](NCC)C1CCC(C(C)C)CC1)C(F)(F)F 388782922 NEQYEYQROBGNHD-JXQTWKCFSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)COCc1ccccc1 390594660 SBYYOXMUCYCAQH-QZTJIDSGSA-N 291.479 4.930 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(F)cc1C(F)(F)F 398084653 TXPJVQMKEHAJJR-NSHDSACASA-N 289.316 4.679 30 10 CJEE 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CCCCCCCCCCCCO[C@@H](C)[C@@H]1CCNC1 2154739652 LGDNXRKCWXGUGS-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@H](N)C1(O)CC(C)(C)C(C)(C)C1 2160492878 PGKOWFZPBJPXQM-OAHLLOKOSA-N 283.500 4.642 30 10 CJEE CC#CCC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)o1 2164168704 OKAIVOLXUFYNQV-OAHLLOKOSA-N 287.790 4.664 30 10 CJEE CCCCCCCCC[C@@H](NC)C1([C@@H]2CCCO2)CC1 2164395465 MXXJEGAXPOICLK-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=C(CNC1CC2(CCCCCC2)C1)c1ccccc1 2164835388 JUVJPSDMIPVYEH-UHFFFAOYSA-N 269.432 4.792 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCC12CCC2)NN 2166774019 ISXRWYIKBZCKMO-DLBZAZTESA-N 280.500 4.929 30 10 CJEE N#C[C@@]1(Cc2ccc3ccccc3c2)C[C@H]2CC[C@H]1C2 2168322258 DXTJDTBMOPZCED-ZYSHUDEJSA-N 261.368 4.712 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H](C)[C@H]1CCC[C@H](C)C1 2168528153 WZNWOVMZBCLRDX-LXZKKBNFSA-N 270.420 4.518 30 10 CJEE SCC1(CN2CCC[C@@H]2c2ccco2)CCCCCC1 2169962373 VINXHHCBPKXBFE-OAHLLOKOSA-N 293.476 4.687 30 10 CJEE C=C(C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC(C)C)OC 2171024481 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C#CCC[C@H](NCCC)c1ccc(-c2ccccc2)s1 2206185774 CVMMSJHKSAXXIY-INIZCTEOSA-N 283.440 4.869 30 10 CJEE C=CCCCCCCCCCC(=O)C1(O)CC2(CC2)C1 2207379045 XCDMNRLGZHGKMB-UHFFFAOYSA-N 278.436 4.558 30 10 CJEE C=CCCCCCCCCCNCC[C@H]1CCCCO1 2207401771 FCVTZGMDWURICV-GOSISDBHSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCCCC(=O)CN1CCCCC1 2207407085 BHQXSGNLTZLTKA-UHFFFAOYSA-N 279.468 4.738 30 10 CJEE C=CCCCCCCCCCOC[C@@H](CN)C(C)(C)C 2207410562 AASCLGLYJSEZHM-QGZVFWFLSA-N 283.500 4.931 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)C1(OCC)CC1 2207416147 WHUJYDGYHWWHCO-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCC[C@@H](C)N1 2207427884 ROQJHKNANBXYHM-IAGOWNOFSA-N 279.468 4.783 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@H](N)[C@H](C)CC 2207428728 BOLSMXQXDRYQGI-KURKYZTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)c1cc(C)ns1 2207440877 FOGNOONAHFJVKB-OAHLLOKOSA-N 295.496 4.653 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CO[C@H](C(C)C)C1 2207449988 SKJJDJOBHODBOG-ROUUACIJSA-N 281.484 4.696 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1sc(C)cc1C 2213636402 LPPCLIIBZHCHRV-FZMZJTMJSA-N 251.439 4.618 30 10 CJEE C[C@H]1C[C@@](C=O)(CCCCCCC2CC2)CCS1 2218730798 HEGBDRDZBWFLOJ-GOEBONIOSA-N 268.466 4.838 30 10 CJEE C[C@@H]1C[C@@H]1CCC1(C=O)CC(C)(C)CC(C)(C)C1 2220843223 FVXPBUXVCXPLKU-KGLIPLIRSA-N 250.426 4.844 30 10 CJEE C#CCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2222037486 YZOAJGYPAPEUNP-OAHLLOKOSA-N 284.230 4.751 30 10 CJEE CCCCCCCC[C@H](C)NCCOC(C)(C)C 2223845844 KSSSEIVHBMENFU-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@H](C)NCC1CCSCC1 2223848524 PNSIKSJBUQDKPN-OAHLLOKOSA-N 271.514 4.858 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C(C)(C)C1CCCC1 2225435633 DRNGKSJCRRRQSU-INIZCTEOSA-N 263.469 4.621 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C1CC1 2225676275 YDINNSPPLHNUHB-RNCFNFMXSA-N 296.197 4.606 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(c2nc(C(F)(F)F)cs2)C1 2226450235 VTNUNMSGQYZRBW-SKDRFNHKSA-N 288.338 4.523 30 10 CJEE C#C[C@@H](NCCCCCCCC=C)C1CCCCC1 2227275587 NBJVYZXZXYJQRL-GOSISDBHSA-N 261.453 4.685 30 10 CJEE C=CCCCCCCCC(=O)CCOCCC(C)C 2227288456 UNSKGHVFEWCPQD-UHFFFAOYSA-N 268.441 4.925 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@]12CCC[C@H]1CSC2 2227289244 SOBSUEDBNVNNFS-YESZJQIVSA-N 282.493 4.797 30 10 CJEE C=CCCCCCCCN1CC2(C1)CC1(CCC1)C2 2227515369 IWGRKZPLQONVJK-UHFFFAOYSA-N 261.453 4.779 30 10 CJEE C=CC1(C[C@H](NCC)[C@]2(C)CC=C(C)CC2)CCC1 2229041600 DIPXRRAPWAGAKG-DLBZAZTESA-N 261.453 4.847 30 10 CJEE CCC[C@H](CS)CN(C)[C@H]1CCC[C@@H](C(C)(C)C)C1 2229812586 FVAFMSPVXXUBMO-XHSDSOJGSA-N 285.541 4.869 30 10 CJEE CC(C)(C)C#CCCN[C@@H]1CCCCC12CCCC2 2230500572 YOCLFGROJKQRMW-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](N)C1(C)CC2(CC(F)(F)C2)C1 2230586750 YEAQHUQTVJIGMW-CYBMUJFWSA-N 273.411 4.890 30 10 CJEE CCCCCCCCCO[C@H]1CCCCCC[C@H]1N 2230977483 JRTXVTJSPMDMBF-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(Cl)cc1C(=O)O 2231078969 KMYRXEMSNBMWQU-GFCCVEGCSA-N 282.767 4.552 30 10 CJEE CCCCCCCC[C@@](C)(C#N)NC1CCCCC1 2231906613 LQWMJEZZEZVYPW-KRWDZBQOSA-N 264.457 4.942 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1(C(F)(F)F)CCCC1 2233790338 JMFOXRNUZLIIOO-ZDUSSCGKSA-N 289.385 4.527 30 10 CJEE N#Cc1cc(F)c(NC2CCC(C3CC3)CC2)cc1Cl 2234324240 JXGGADRKSLJHAC-UHFFFAOYSA-N 292.785 4.731 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCCCC2)c(F)cc1Cl 2234756503 ZIRSOPRRLYQCIQ-ZDUSSCGKSA-N 294.801 4.920 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@]1(COC)CC=CCC1 2235522310 SIXIQBFFCYQOQO-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1CCC12CCC2)NN 2235526690 NPXGHOUIRWKASC-IAGOWNOFSA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1snnc1CC 2235527519 WEQWVZIWPPPLAP-HNNXBMFYSA-N 295.496 4.668 30 10 CJEE N#Cc1ccc(Oc2cc3ccccc3cn2)c(Cl)c1 2236007517 JPYGWULCUFXMKE-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C=CCCCCCCCC(=O)c1cnn(C2CC2)c1C 2236657406 VDBYRHROYOQLOB-UHFFFAOYSA-N 274.408 4.626 30 10 CJEE N#Cc1ccccc1NC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2239236832 GPZPPZYKFKZWAS-BZUAXINKSA-N 268.404 4.577 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1[S@@](=O)CCCCCCCC1CC1 2239346364 TVOTZXFMNLDBFC-ZWOKBUDYSA-N 295.492 4.568 30 10 CJEE CCCCCCCCCO[C@H](CNC1CC1)CC(C)C 2239465030 URVUICFTXBVYBC-SFHVURJKSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCOc1cccc([C@@H](C)N)n1 2239508116 RJUPYWATFFFPCA-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE CCCC1([C@@H](C#Cc2cccc(Cl)c2)NCC)CCC1 2239568874 NDUKNSPVRCKTEN-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCc1ccc(C#CC(=O)[C@H](CCC)C(C)C)cc1 2239755343 QUZKRFZABMMOHE-GOSISDBHSA-N 270.416 4.632 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@H](OC)C1CCCCC1 2240142517 TVHRDEYOBXCCAT-NJAFHUGGSA-N 281.484 4.552 30 10 CJEE C=CCC[C@H](C)Oc1ccc(C)cc1CN[C@@H](C)CC 2240202254 ZPLRAOOVOKIXNP-HOTGVXAUSA-N 275.436 4.617 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC23CCC(OC)(CC2)C3)C1 2240283717 KADKEWSMGXIZOY-ZLZJIPBDSA-N 278.436 4.511 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@H]1CCC[C@@H]1C 2240648645 LDTBHIPEEJJERS-FJIDUMEYSA-N 283.500 4.512 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cc(C)c(Cl)s1 2244629573 FFGFKWLXNLNWHU-LLVKDONJSA-N 257.830 4.846 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc(C)c1Br 2250172975 ZDBCHTNDOALVGS-CQSZACIVSA-N 296.252 4.894 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(Br)cc1C 2250180676 DKHJOHVICPGSFN-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE CC(C)(C#N)CCCCSC1CC2(CCC2)C1 2251085500 LJNBVYVMQKPDQH-UHFFFAOYSA-N 251.439 4.772 30 10 CJEE CC[C@@](C#N)(Cc1c(F)cccc1Br)C(C)C 2251395606 QPFNBMGFMLJEOZ-AWEZNQCLSA-N 298.199 4.707 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CC(F)(F)C12CCC2 2254868364 XNXICPBTYPSKJN-STQMWFEESA-N 260.368 4.533 30 10 CJEE C=CCCCCCCNCCc1ccccc1Cl 2257348286 RYSXMNKOAOFXKA-UHFFFAOYSA-N 265.828 4.609 30 10 CJEE C=C(C)CCCC[C@H]1CCSCC[C@@H]1NCCC 2259239675 QZLAHLYVDKXTRA-HOTGVXAUSA-N 269.498 4.634 30 10 CJEE C=C[C@H](C)CCN(C)C1CCC(C(C)(C)C)CC1 2260402531 PGZFXPAQTTWKIK-FHERZECASA-N 251.458 4.735 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@](C)(CC)CO1 2263645790 HBMWNSVBEVIMFE-HZPDHXFCSA-N 255.446 4.632 30 10 CJEE Cc1ccc2ccn(CC=CC#CC(C)(C)C)c2c1 2268759107 MSQKMRBABOUXEA-UHFFFAOYSA-N 251.373 4.555 30 10 CJEE C=CCCCCCCCSC[C@@](N)(C#N)CC(C)C 2271515995 LXMJHHSTJBZRIP-INIZCTEOSA-N 282.497 4.513 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SCC2CC(C(F)(F)F)C2)C1 2271716281 IAOOLADJVAFFNW-ZOVKSXBRSA-N 291.382 4.636 30 10 CJEE N#CC1(CC2CC3(CC(F)C3)C2)CCC2(CC1)CC2 2272158323 IOZQVOZELXUDCE-UHFFFAOYSA-N 261.384 4.769 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)CCCOCC1 2272283767 HOOXLEPVPDFDFS-IRXDYDNUSA-N 265.441 4.939 30 10 CJEE C=C1CC([C@H](C[C@]23CCCC[C@@H]2CC3)NCCC)C1 2273402549 CGOYWOCBEQZYGG-FGTMMUONSA-N 261.453 4.681 30 10 CJEE CCCC[C@H](C)[C@@H](C#CC1CCCCC1)NCCC 2274057851 CMFSICNDUMZQCY-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1(C)CCC1 2276642931 URALJPOCKRPKOR-INIZCTEOSA-N 269.473 4.661 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2ccsc2Cl)CCC1 2277352801 SWRJUWYPWFITQF-CYBMUJFWSA-N 299.867 4.554 30 10 CJEE C=CC1(Nc2ccc3ccc(Cl)cc3n2)CCCC1 2277677311 IZUWWSSTRNQUSK-UHFFFAOYSA-N 272.779 4.799 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](C)CCOC 2278231490 ZDBJZJBPHLBXQX-IAGOWNOFSA-N 271.489 4.778 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@H]1CC(F)(F)C12CCC2 2280874902 WYQMFNBAJGHWCN-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CC(F)(F)C23CCC3)CC1 2280884604 KHFWIMBGULQAIB-CABCVRRESA-N 283.406 4.536 30 10 CJEE SCC1(CN2CCC[C@]23C[C@H]2CC[C@H]3C2)CCCCC1 2281009795 PADOHIKHMXHOEC-XYJFISCASA-N 293.520 4.521 30 10 CJEE CN[C@H](CCCC=CC#CC(C)(C)C)c1ccccc1 2284071297 QWRMOBOEYQRDKI-GOSISDBHSA-N 269.432 4.723 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(N)c1ccc(Cl)c(F)c1 2284085651 HGKVCFJOPKLXAS-KRWDZBQOSA-N 293.813 4.649 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCC1(C)C 2284184507 GJNUTPXQMRCGPD-SJORKVTESA-N 275.480 4.787 30 10 CJEE CC[C@@H]1NC(=Nc2cccc(C(C)(C)C)c2)S[C@H]1CC 2285715432 OHNKJQHMBVTGKT-GJZGRUSLSA-N 290.476 4.865 30 10 CJEE C#C[C@@](C)(C1CCC(C(C)C)CC1)N1CCCCCC1 2285978885 YCQMGGNIBSOWHH-ACBHZAAOSA-N 275.480 4.717 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@@H]2O 2287193917 JXYJAOHDIPGAFJ-INIZCTEOSA-N 291.460 4.680 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](O)c1csc(C)c1C 2287388573 ULXHUKUNHAQPIW-DLBZAZTESA-N 295.492 4.513 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@H]1CCCC(C)(C)CC1 2287673496 CGSJQLBUCSEQES-WMZOPIPTSA-N 281.484 4.673 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(OCCCCC)cc1 2288897836 LURCKPSZIMLBCN-MRXNPFEDSA-N 275.436 4.557 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C1CCC2(CC1)CC2 2289705858 RPQVWBCMOWHILZ-GOSISDBHSA-N 273.464 4.519 30 10 CJEE O[C@]1(C#CC2CCCC2)CCCC[C@H]1C1CCCCC1 2289772333 HLCVVQQWSPHXRN-OALUTQOASA-N 274.448 4.682 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1C[C@@H]1C1CCCCCC1 2289924091 GQFUMNPDTZGLJQ-QZTJIDSGSA-N 272.432 4.746 30 10 CJEE CC1(C)CCC(C)(C)[C@@H](Nc2c(F)cccc2C#N)C1 2290346073 ROHWOZDLEPVLKN-AWEZNQCLSA-N 274.383 4.714 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@@H]1C[C@H]1CC 2290574783 AYBWEORRRXQEOU-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@](C)(CCC(C)C)OCC(=O)O 2291305114 FLFWBUVGEBDHAA-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1ccccc1 2292782034 NBINCCSUIAHPDH-GOSISDBHSA-N 275.436 4.620 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1C(C)C 2293465681 FJZGHGTUVDGBEX-KURKYZTESA-N 283.500 4.763 30 10 CJEE C#CC(C)(C)C[C@H](CCCCCCCC)OCCCN 2293569855 OCPNHXSQTUKJOJ-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@]1(C)CC1(C)C 2294568206 MVFMVDNGMGFMPZ-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C[C@](C#N)(c1ccccc1)C1C2CC3CC(C2)CC1C3 2294866066 VUCRCKWSEQNDKL-FHXYWRNYSA-N 265.400 4.540 30 10 CJEE C=C(C(=O)c1sc(C(F)(F)F)cc1C)c1ccccc1 2295007493 XYRQXOXTHLVPGL-UHFFFAOYSA-N 296.313 4.971 30 10 CJEE NC1(C#Cc2ccccc2Cl)CC2(CCCCCC2)C1 2295209300 NWIGKWSNHAPHLN-UHFFFAOYSA-N 287.834 4.523 30 10 CJEE N[C@]1(C#Cc2ccccc2Cl)CCC2(CCCCC2)C1 2295210105 WNLMCDHNOUAAFY-GOSISDBHSA-N 287.834 4.523 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC(C)(C)CCO)C1 2295246029 XHZFRGPSYBHQMY-KFWWJZLASA-N 297.508 4.625 30 10 CJEE CCCCCCCCC[C@](C)(O)C1(CN)CCCCC1 2295589271 JWCAKKGJIWGCII-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cncn1C(F)F 2295600286 AJKKKDBWVWIQEH-OAHLLOKOSA-N 288.382 4.626 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CC(CCOC)C1 2295674562 SFXBNUWZXAKRIH-WWDZGPRUSA-N 283.500 4.920 30 10 CJEE CC=C(CC)[C@@H](NC)[C@@](C)(O)CCCCCCCCC 2295679181 NJNIZWOAJZKRGB-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(CCC)NC1CC1 2295765167 AHVPXJYWLIAOLI-WBVHZDCISA-N 296.524 4.750 30 10 CJEE CCCCCCCC[C@@H](N)c1scc2c1OCCCO2 2296278959 JXHXPSGWLBQHAC-CYBMUJFWSA-N 297.464 4.660 30 10 CJEE C=CC[C@@H](C)SCC(=O)c1cc(Cl)ccc1Cl 2298943072 QJCNQUNIOUQCOV-SECBINFHSA-N 289.227 4.874 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](C)SC 2299414454 XERHFMHKEXXBSE-GJZGRUSLSA-N 257.487 4.633 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C)C(C)(C)C 2308344364 KFMCXXJGMNSERF-BZUAXINKSA-N 251.458 4.639 30 10 CJEE Cc1c(C[C@@]2(C=O)CC=CCC2)ccc(Cl)c1Cl 2316853077 NDIANOKLPFFUFN-OAHLLOKOSA-N 283.198 4.770 30 10 CJEE C=C(C)C[C@@H](CC1(C(C)(F)F)CCC1)NCCC 2319283800 CNRMKVALEBZITF-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=C(C)C[C@@H](C[C@@H](C)C1CCCCC1)NCCC 2319293161 MYZTULNYRMQWNW-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@H]1CC[C@H](C)CC1)NCCC 2321117630 OXNDOCRFAUHHEW-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](CC)CC(F)(F)F)NC 2321132249 XONXFYJYNBSSAS-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)c(Cl)c1 2321135408 VINVHPOCMMDVRT-HZPDHXFCSA-N 265.828 4.901 30 10 CJEE C[C@@H]1CC=CC[C@@H]1COC[C@@](C)(CS)C(C)(C)C 2327099552 JEVDVFVCPGGUGZ-FMKPAKJESA-N 270.482 4.588 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc(F)c(C)c1 2330485083 APTJOAUONXQKPW-UHFFFAOYSA-N 291.753 4.728 30 10 CJEE C=CCCCCCCCCCN[C@H]1C[C@H]2C=C[C@@H]1C2 2333365897 YSAHZJDIHJRRSZ-KSZLIROESA-N 261.453 4.847 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccccc1C1CC1 2338733112 PBAMUHIPEXXUGY-SFHVURJKSA-N 255.405 4.593 30 10 CJEE Cc1ccc(OCc2cccc(Cl)c2Cl)c(C#N)c1 2339305376 CPTRBGUIDKNSMX-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE N#CC1(COCCCc2cc(Cl)cc(Cl)c2)CCC1 2341228407 FQINJKCXOWFGRV-UHFFFAOYSA-N 298.213 4.636 30 10 CJEE CCc1cscc1N=C1NC2(CCC(C)CC2)CS1 2341919230 DFYZEFDMQFCSAS-UHFFFAOYSA-N 294.489 4.583 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@@H]1C[C@H]1C1CCCC1)NC 2344338974 FJUWSMIBODMHTR-WNRNVDISSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(Cl)c1OC 2344339846 MNRMTJIYHUBHSZ-CVEARBPZSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344370116 YFNPNOIZFUIAMH-OBVSXPTNSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)C(=O)C1C2CC3CC(C2)CC1C3 2344412165 PTKHOYSZJNLRMH-ZDXCPUMJSA-N 260.421 4.620 30 10 CJEE C[C@@H]1C[C@@H]1CCCCN(C)C[C@@](C)(CS)C(C)(C)C 2352077764 GGJURFQLRJYFQQ-VYDXJSESSA-N 285.541 4.727 30 10 CJEE C[C@@H]1CN(C[C@@](C)(CS)C(C)(C)C)c2ccccc21 2352081002 MQIAWACCIOQQMR-DYVFJYSZSA-N 277.477 4.592 30 10 CJEE C[C@H]1c2sccc2CCN1C[C@@](C)(CS)C(C)(C)C 2352166555 PIJTVBWMPSFULI-LRDDRELGSA-N 297.533 4.649 30 10 CJEE C=CCNCC(=C)c1ccc(CCCCCC)cc1 2353092524 UAPABIIQTVRKNM-UHFFFAOYSA-N 257.421 4.598 30 10 CJEE Cc1cccc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)c1C#N 2354156039 RDJTZFKHRJILLY-RLFYNMQTSA-N 268.404 4.638 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]2CC[C@H]1O2)NCC 2355019553 HZHYZAFTKJZFHF-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1COC 2357003144 NTARYJMQLKVCOH-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCCC[C@@H]1CCO 2358947861 JMENFPCZUBFCFK-KZNAEPCWSA-N 283.500 4.656 30 10 CJEE Cc1ccc(S[C@@H]2CCCCCC/C2=N\O)cc1 16310996 VUKJJKWKXOXRDX-DPEHCCBOSA-N 263.406 4.640 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(C#N)cc2)cc1C 20547669 ZCDAVEALWGSSGU-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE C(=NN(C1CCCCC1)C1CCCCC1)c1ccccc1 33769380 NMKLQKDQQHZAQK-UHFFFAOYSA-N 284.447 4.988 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2cc3ccccc3s2)cc1 55333253 UBNQRAOJWHGEQQ-HNNXBMFYSA-N 291.375 4.700 30 10 CJEE COc1ccc([C@H](C#N)CCc2ccccc2)cc1Cl 57696780 MQXKQDUUFRBFKD-HNNXBMFYSA-N 285.774 4.589 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC)cc1Cl 59332699 UMRKMGSUWNCCBC-INIZCTEOSA-N 283.843 4.970 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](c1ccccc1)C(F)(F)F 70397407 LHEXPUNJAJRSRS-OAHLLOKOSA-N 290.288 4.582 30 10 CJEE C[C@@H]1CCC[C@H](Sc2nc3ccccc3cc2C#N)C1 71390711 KNIJOMIRDKLWAQ-DOMZBBRYSA-N 282.412 4.777 30 10 CJEE N#Cc1cc(F)ccc1Nc1cc(Cl)cc(Cl)c1 71631498 GNKJRIFAQRNZIR-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC[C@@H](C)Oc1ccccc1-c1cc(C#N)c(C2CC2)o1 77083390 NEUREJURUAQPPS-GFCCVEGCSA-N 281.355 4.873 30 10 CJEE COc1ccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)CC2)cc1 86949153 GGAGUKVSCORGPA-QAPCUYQASA-N 286.419 4.606 30 10 CJEE CCC[C@H]1CCC[C@@](C#N)(Nc2ccccc2OC)CC1 86949220 DVAVLVRZODLVGW-MAUKXSAKSA-N 286.419 4.750 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2c(F)cccc2Cl)CC1 91881277 GBTBLJBDYRKLQT-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE Cc1ccc(C#N)c(Oc2c(C)ccc(C)c2C)c1 104178916 ZEOGCZBWURLERQ-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCN(CC)c1ccc(/C=C2\CC/C(=C/C(C)C)C2=O)cc1 104377249 BAZGCITVYTXSFO-SIJTWYJSSA-N 297.442 4.862 30 10 CJEE CCCCCCCCOCc1cc([C@H](C)O)ccc1OC 105876194 QPCDJXGMIPQMOZ-HNNXBMFYSA-N 294.435 4.626 30 10 CJEE Cc1ccc(Cl)c(Oc2cc(Cl)ccc2C#N)c1 110262539 KTDDGRFXPHUFHC-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](C)[C@@H]1CN 110325852 VUHLGQXOEGZCNT-OALUTQOASA-N 296.543 4.967 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@H]1[C@@H](C)CC 114060687 FHGDJZPTFLGEDF-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@H](O)CSCC(C)C 114864788 XRTKDLULLWPVHQ-HNNXBMFYSA-N 260.487 4.877 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(C)oc1C 115063008 IERFBQARFZMVPK-INIZCTEOSA-N 251.414 4.908 30 10 CJEE CCCCCCCCC[C@H](NC)c1ncccc1F 124171837 IZPDXPWVNYCEFH-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE CC1(C)CCC[C@H](Nc2cc(C#N)ccc2Cl)C1 125671130 LDXRCQJHPKFUCD-LBPRGKRZSA-N 262.784 4.592 30 10 CJEE CCCCCCCC(=O)C[C@H](C)c1ccc(N)cc1 126711766 MKOGPHIVZAVIIG-AWEZNQCLSA-N 261.409 4.692 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cnn(CC)c1 129312911 XLLROAYTJFTNML-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCCCCCNC(=O)c1cc(C)ccc1O 129374798 BQAITKGAGFXIKC-UHFFFAOYSA-N 291.435 4.571 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 131318952 XKTIMVSDRNHWBG-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCSc1cccc(Oc2ccc(CC)cc2N)c1C#N 137029133 RXVPJQCWAAYXJG-UHFFFAOYSA-N 298.411 4.607 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1csnn1 143446677 RAZZUGWYRJCLJL-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE CCCCCCCCn1c(S)nc2cc(OC)ccc21 145254679 PWOKPHUGQUAFLX-UHFFFAOYSA-N 292.448 4.694 30 10 CJEE CCCCCCCCCC1(C(=O)O)C[C@@H]2C[C@H]2C1 157001317 PFZDNZHAIVEXCC-KBPBESRZSA-N 252.398 4.628 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1C 162065474 CBVZGGBZOJCXLQ-UKRRQHHQSA-N 288.522 4.933 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 219303202 MDEMFKHVVBDJFH-BBWFWOEESA-N 251.458 4.783 30 10 CJEE CC[C@H]1CCC[C@](C#N)([C@@]2(O)CCC(C)(C)C[C@@H]2C)C1 222165644 NUKQBBGSNGXCPC-UOVPBQLFSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(C)cc2)C1 222243807 BKUSSSRRUUQCPS-FMKPAKJESA-N 259.418 4.806 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cc(Cl)ccc2F)C1 231191043 WOOGXRVBSVQWIJ-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCC[C@](C)(O)c1cccnc1 232927169 OXMOAHDJDQJDPD-KRWDZBQOSA-N 263.425 4.820 30 10 CJEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1cccc(F)c1 233906108 JOAGNAOLZDXEGS-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(Br)cc1C 235766472 DZUBEWFPTAQPOJ-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl 236232290 QUQDMKGRFLQMEN-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCCCN1C[C@H]([C@H](C)CC)NC[C@]1(C)CC 250797726 BMIMMNOSOGXXJY-QRVBRYPASA-N 296.543 4.836 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252414915 QSTTUQMLFHCECP-WZGPROSRSA-N 284.447 4.583 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCCC[C@H]1C(F)(F)F 252993225 GVAIHYHXKMYOFP-KFWWJZLASA-N 289.385 4.527 30 10 CJEE CCCCCCCCCC[C@H](N)C1C[C@@H]2C[C@H]2C1 253053088 WTYWPTIQHSRFIF-ZOBUZTSGSA-N 251.458 4.891 30 10 CJEE C[C@](C#N)(Cc1ccccc1)c1ccc(C2CC2)cc1 259457589 GCVSDAKDQKGAMI-LJQANCHMSA-N 261.368 4.588 30 10 CJEE C[C@](C#N)(Cc1cccs1)c1cccc2ccccc12 259580160 OUSFRXQJEYGQDF-GOSISDBHSA-N 277.392 4.925 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(OC)s1 311044081 PLFCTXFFSVPJFV-CYBMUJFWSA-N 269.454 4.768 30 10 CJEE Cc1ccccc1N[C@@H](C#N)[C@H](C)C1CCCCC1 311681243 IUPJLJHBTCUPBY-PBHICJAKSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CCCC[C@H]1N 312956832 ITTCDXDDYNNYBT-SJLPKXTDSA-N 281.484 4.994 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(Cl)cc2F)CC1 317258775 PWJDOWJUXGGHEW-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C=CCCC1(CNC(C)(C)C)CCC(CC)CC1 317887440 PZVKZMUFPQTYJU-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)CC[C@H](C)C1 319214703 MFOGJGMAKAZXMX-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE C=CCC(C)(C)COCc1sccc1Br 378666836 JVXBOILNNRZYTN-UHFFFAOYSA-N 289.238 4.630 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc([N+](=O)[O-])cc1Cl 385089709 XSZGFTMSLYLEGC-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE CCCCCCCC[C@H](Cc1csc(C)c1)NC 385129440 HDCGBSYDAHWTEC-MRXNPFEDSA-N 267.482 4.938 30 10 CJEE Cc1ccc(C(F)(F)F)cc1NCCCCCC#N 385216420 KHKKCCKWNVYCJW-UHFFFAOYSA-N 270.298 4.510 30 10 CJEE C=C(COC)[C@@H](CCCCCCCCCCC)NC 386627133 KTKIPMUOORCSQW-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=C(COCC)[C@@H](NCCC)C1(CC(C)C)CCCC1 387570656 MWEKGMQCZMIVLA-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H](O)c1ccc(C(C)(C)C)s1 394965762 HBFNUSCMOGZCEP-SRCQZFHVSA-N 291.460 4.799 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 398099325 GWZHFJRGMZNNAN-YYIAUSFCSA-N 251.458 4.782 30 10 CJEE C=CCCC[C@@H](C)NC[C@H](c1ccccc1)C(C)C 398204019 XGOVWXMLBJIJPJ-AEFFLSMTSA-N 259.437 4.761 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](C#N)Nc1cccc(Cl)c1 401730429 CMEXJZLAXFIWHC-DAXOMENPSA-N 276.811 4.860 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(C2CCC2)c1 667126873 VCGMEMWWEPHUPG-HDICACEKSA-N 296.414 4.669 30 10 CJEE C#CCCCCC[C@]1(O)CCCC[C@@H]1C(C)(C)C 686683442 JQDWBSJEWSHLBF-WBVHZDCISA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NCCC)c1c(C)cccc1C 686692804 KMADJQSKFJBUPQ-SFHVURJKSA-N 271.448 4.928 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CC(C)(C)c2ccccc2)C1 686734706 GBAALSRZTBSKAB-YJBOKZPZSA-N 258.405 4.750 30 10 CJEE CCSc1cccc(Nc2cccc(F)c2C#N)c1 690129008 JHMRBQOCKVCZGN-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCC(F)(F)CC1 690830195 LYZPNJSBBQAXQD-SNVBAGLBSA-N 298.764 4.838 30 10 CJEE Cc1cc(Nc2cc(Cl)cc(F)c2F)ccc1C#N 691329715 HGMIIFXTRISLGD-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)cc1F 692234960 NCXHSXGSUKNWGS-XNJGSVPQSA-N 279.374 4.750 30 10 CJEE CCCCCCCO[C@@H](CNCC(C)C)CC(C)C 695056717 XCXGMXPUJPMMGT-QGZVFWFLSA-N 271.489 4.634 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(COC)cs1 695542604 HQXMPFHQCPSCNV-CQSZACIVSA-N 270.438 4.679 30 10 CJEE CC(C)CCN(CCC(C)C)[C@H](C)CC(C)(C)C#N 695838252 NFFCPQPMRMRANY-MRXNPFEDSA-N 266.473 4.709 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(N)c(Cl)c1 696204515 WDODYAVVWMYBSQ-OAHLLOKOSA-N 269.816 4.706 30 10 CJEE C#CCCC[C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C 699023874 MEJRWSPJNCRGBI-BQFCYCMXSA-N 263.469 4.621 30 10 CJEE CC1(C)CCC(C=O)(CCCOC2CCCCC2)CC1 699949343 JEMYCWQMNBURDA-UHFFFAOYSA-N 280.452 4.901 30 10 CJEE CCCCCCC[C@H](CN)N1CCCC[C@H](CCC)C1 703287361 NSNLZJHUSREDKJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCCC[C@]21C 707195834 FYZXEHVAUZDBSL-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC2(C1)OCCO2 712702120 LYWMOQGIFOITBK-KRWDZBQOSA-N 298.467 4.829 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC 715792542 CEWHRFVQOCNDJS-QAETUUGQSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC(C)(C)CO1)NCC 717013064 SQQTZQRJCPWCBE-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@]1(O)CCC[C@@H](OC)CC1 718860267 OQGCYGMLZOOCFT-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@@H]3C[C@H]3C2)CC1 724557466 FCCUVGXZDGOPQN-BDXSIMOUSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCCC(F)(F)C2)CC1 724574871 HLMYKUJUCVUMEK-JKSUJKDBSA-N 285.422 4.927 30 10 CJEE C=C1CCC(CC(C)(C)CCNC(C)(C)C)CC1 724620555 ZXKMKVPONDGXBN-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE N#Cc1cc(C(F)F)c2sccc2c1C(F)(F)F 725276829 AYYBXLXHXRXJTP-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE N#Cc1cc(C(F)(F)F)c2cc(C(F)(F)F)sc2c1 725324714 SBUJMKWDICXMAT-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE C#CCCCNCc1ccc(-c2ccc(Cl)cc2)s1 742382856 LEYANUXZIPVLFG-UHFFFAOYSA-N 289.831 4.572 30 10 CJEE C=C(C)c1cccc(NCc2ncc(CSC)s2)c1 898310669 LRCQPALCPSICLA-UHFFFAOYSA-N 290.457 4.651 30 10 CJEE Cc1cc(N=Cc2c(C)n(C)c3ccccc23)ccc1F 1083943479 JEWXJOOSTZLKHI-UHFFFAOYSA-N 280.346 4.685 30 10 CJEE CC(=O)c1cccc(N=Cc2cccc(Cl)c2Cl)c1 1084090493 USAIVFSBKDWITL-UHFFFAOYSA-N 292.165 4.947 30 10 CJEE C#CCCCCCC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1126882846 XQCHIWJDOUNXIM-IBGZPJMESA-N 299.458 4.782 30 10 CJEE CC#CC(=O)N[C@H](c1ccc(C2CCCCC2)cc1)C(C)C 1141376342 HWSPRQUHARZBJR-FQEVSTJZSA-N 297.442 4.571 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1 1176771718 RYRNQYHRDYBGMC-OAHLLOKOSA-N 283.337 4.636 30 10 CJEE C#Cc1ccc(NCc2ccc3occc3c2)c(Cl)c1 1179699584 CCIMHSYDJLBXIM-UHFFFAOYSA-N 281.742 4.680 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@@H](OC)C2(CC)CC)CCCC1 1182865255 WFKJKQMYXTXFBJ-IAGOWNOFSA-N 293.495 4.696 30 10 CJEE C=CCC1(CNCc2cc3ccncc3s2)CCCC1 1202382186 WDJSYXWHGOGSOP-UHFFFAOYSA-N 286.444 4.522 30 10 CJEE C=CCCCCCCCNC(=O)N1CCCC[C@H]1C(C)C 1229651466 GHVWIATVRJUJOK-KRWDZBQOSA-N 294.483 4.733 30 10 CJEE C=C(CC)C(=O)N(Cc1cccs1)c1ccc(C)cc1 1293124722 CDVNXJYKANJNAM-UHFFFAOYSA-N 285.412 4.556 30 10 CJEE C=CCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 1294954215 NKHZXRQIBKIJFQ-VVLLFNJHSA-N 297.442 4.827 30 10 CJEE C#CCCCCCC(=O)N(CCC)[C@@H](CC)c1ccccc1 1350049409 UJGOICDRDDELMS-IBGZPJMESA-N 299.458 4.960 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 1353697123 XUWQZOWDSMMQRX-KRWDZBQOSA-N 285.431 4.636 30 10 CJEE C=CCCCCCN(C)C(=O)CC[C@@H]1CCc2ccccc21 1360624659 RXTGYPDBNFRXBB-SFHVURJKSA-N 299.458 4.701 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H]2CCCC3(CC3)C2)CCCC1(C)C 1436083635 KKVXUARVINHGIH-HZPDHXFCSA-N 289.463 4.550 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)CCCCC1 1436680478 MYRDIWZIYYKXJI-HZPDHXFCSA-N 291.479 4.844 30 10 CJEE C#Cc1ccc(CN[C@@H](C2CCCCC2)C2CCC2)cc1 1474190532 WEEWVOBFXWRRFM-FQEVSTJZSA-N 281.443 4.507 30 10 CJEE C=CCN(C(C)C)[C@@H]1C[C@H](C)Sc2sccc21 1474334404 OCSKMTYGCMCJLR-WCQYABFASA-N 267.463 4.570 30 10 CJEE C=CCC[C@H](CCC)Nc1cnn(C2CCCC2)c1C 1474480665 JSMPEEBAIQYVEV-HNNXBMFYSA-N 275.440 4.853 30 10 CJEE C=CC[C@@H]1N(C[C@@H](C)c2ccc(F)cc2)CCCC1(C)C 1474482044 NXMUOZMWVOCYCT-QAPCUYQASA-N 289.438 4.996 30 10 CJEE C=CCCc1ccccc1NC(=O)C12CCC(CC1)C2(C)C 1523895755 OAKWWMOTJTUHOW-UHFFFAOYSA-N 297.442 4.960 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 1531448820 FCYRGOAGUTXTMH-QAQDUYKDSA-N 291.479 4.702 30 10 CJEE C=CCC1(NC(=O)c2cc3cccc(C)c3s2)CCCC1 1532276150 AXLWLNSTGPHPMF-UHFFFAOYSA-N 299.439 4.828 30 10 CJEE C=CCCC(C)(C)NC(=O)[C@H](C)c1ccc2ccccc2c1 1533810918 KJGOREASENFKHX-OAHLLOKOSA-N 295.426 4.804 30 10 CJEE C=CCC1(C(=O)N2CCC(CC)(CC)C2)CCCCC1 1543854778 LKDJDBZHBFXJNL-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCCC[C@@H](NC(=O)c1occ(C)c1C)c1ccccc1 1583542515 BCRQBQPNLQCBMI-QGZVFWFLSA-N 297.398 4.724 30 10 CJEE C=CCC1(NC(=O)c2cccc(Cl)c2C)CCCCC1 1587464340 POZKMVOZQUFWDZ-UHFFFAOYSA-N 291.822 4.657 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCC[C@H]2CCCC)c1 1620766870 MXMISALIULSSET-MJGOQNOKSA-N 287.447 4.700 30 10 CJEE C=CCCC(C)(C)CNC(=O)C1(c2cccc(C)c2)CCC1 1623981685 JVSYJHGBKKDKJM-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C#CCC(C)(C)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 1625469812 MZYPLXXBUQCLHH-UHFFFAOYSA-N 297.423 4.712 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(C)cccc1Cl 1643802430 FBJRZSBJISOBQE-RHSMWYFYSA-N 277.839 4.873 30 10 CJEE C=CC[C@H](NCC1CCC(C)(C)CC1)c1ccncc1 1649805223 AYRLCCQUPOQXSI-KRWDZBQOSA-N 272.436 4.505 30 10 CJEE C=C1CCN(Cc2c(Cl)cccc2SC(C)C)CC1 1651820225 KWVDXDXVEFDHHT-UHFFFAOYSA-N 295.879 4.993 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1C[C@H](c2ccccc2)C1 1652330740 CZEQJVATYDWQDH-BZSNNMDCSA-N 257.421 4.657 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C 1652778493 CGHLCLGRTIRGLL-OWCLPIDISA-N 251.458 4.926 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCCOc2c(F)cccc21 1657548924 AMSOUYPRBQPJSQ-YOEHRIQHSA-N 291.410 4.764 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccc(F)c(F)c1 1658708991 RPSVEVURPPJSHI-AWEZNQCLSA-N 279.374 4.541 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)CC(C)(C)C#N 1658981246 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LXFIMOOUWAILLA-MRXNPFEDSA-N 279.855 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@@H]1C1CCCCC1 2344475866 XDVANZIOMASTSW-MLHJIOFPSA-N 264.453 4.946 30 10 CJEE Cc1c(Cl)ccc([C@@]2(C)CC[C@@](C)(CC#N)O2)c1Cl 2353222305 LPFIEWPNLJJXIO-LSDHHAIUSA-N 298.213 5.000 30 10 CJEE CC#CCCCC[C@H](NC)c1cc(C)c(OC)c(Cl)c1 2360219463 IZLDFXCWOZNAPX-INIZCTEOSA-N 293.838 4.501 30 10 CJEE C=CC[C@@H](C)Sc1c(F)cc(CNC(C)(C)C)cc1F 2360376805 TZRVPYJGTSKJSK-LLVKDONJSA-N 299.430 4.910 30 10 CJEE O=C1/C(=C\c2ccccc2)c2cccc3cccc1c23 1756989 XBJNICKWRVOQIS-ATVHPVEESA-N 256.304 4.577 30 10 CJEE Cc1ccc(NC2=CC(=O)C[C@@H](c3ccc(C)cc3)C2)cc1 17022719 NUNMQMLVSDBUFS-KRWDZBQOSA-N 291.394 4.746 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2nccs2)C1 40676870 HZZBWQWFGZNXFP-JHJVBQTASA-N 294.489 4.980 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(SC)cc1 59095426 GPPKLEJGWQTFET-UHFFFAOYSA-N 292.444 4.911 30 10 CJEE C=C(C)COc1ccc2ccccc2c1CN[C@@H](C)CC 66116221 TZKWGOGVHKDLSB-HNNXBMFYSA-N 283.415 4.683 30 10 CJEE CC(C)c1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77085911 UMHYGZICZFTHCT-UHFFFAOYSA-N 279.261 4.960 30 10 CJEE CCCOc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1 82251997 KOKJAGZGUHYBET-LDADJPATSA-N 288.778 4.575 30 10 CJEE N#Cc1sc(-c2ccc(Cl)c(Cl)c2)nc1C1CC1 82436780 ZFGXGHUSCPNMMG-UHFFFAOYSA-N 295.194 4.866 30 10 CJEE C=CCSc1ccccc1N[C@H]1C[C@@H](OCC)C1(C)C 85385429 FXERLMYYVBDEOE-JKSUJKDBSA-N 291.460 4.580 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cc(C#N)cc(F)c2C)CC1 86902269 PAFAFPMOLVQFJN-HIFRSBDPSA-N 274.383 4.777 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2c(C)cc(C)cc2C)CC1 91882193 PBMOWZWNDUGSKB-AVAKVYKDSA-N 285.431 4.755 30 10 CJEE Fc1ccc(OCC2(CS)CCCCCC2)c(F)c1 94583264 CQYHRYMUYJEUAU-UHFFFAOYSA-N 286.387 4.614 30 10 CJEE C#CCCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97390173 GVAIHYHXKMYOFP-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCCCOCc1occc1CNC(C)C 107346377 YEEVLAYAMBLWQZ-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(OC)c(Cl)c1 107535806 SUNUJCUYNWWQNQ-NWDGAFQWSA-N 250.769 4.502 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCO1)NCCC 109724160 CRDGNJSJKBRNIL-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCN(C1CC1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264117 JNJDICNXPIFPFQ-INMHGKMJSA-N 276.468 4.605 30 10 CJEE N#Cc1cnc2ccccc2c1Oc1ccc(F)c(Cl)c1 111764257 NPJQOCNSWALPIU-UHFFFAOYSA-N 298.704 4.691 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(O)cc1Cl 115063851 PNRSSBCCYYZQLF-UHFFFAOYSA-N 283.799 4.735 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1cccc(C)c1 115858151 GCEMHHHAPIJNKP-KRWDZBQOSA-N 271.404 4.922 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](C)(CC)N1CCCC1 118160769 FNBLJMXNQREKAZ-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)cc1OC 122432894 FWHCOUNUNOIMKP-HNNXBMFYSA-N 298.858 4.604 30 10 CJEE CCCCc1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 122595307 ZCHRHYHXECGYPS-UHFFFAOYSA-N 286.762 4.742 30 10 CJEE C#CCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 122867946 HVBOXVFRTZWLGC-CQSZACIVSA-N 284.230 4.838 30 10 CJEE CCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1NCC 122991698 JOOOIHAOIHYYQL-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE N#Cc1ccc(Cl)c(NC2CC(c3ccccc3)C2)c1 127761270 YEPOBONIUDIEEP-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cnn(CC)c1 129020818 OBFMMRFBFLSJKW-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE C=CCCCNc1ccc2cc(Br)ccc2c1 130843883 OGOUYXTZVGRYST-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1[C@@H]1CCCC1=O 149281771 CEBLDJNNNMDTDW-DLBZAZTESA-N 279.468 4.571 30 10 CJEE CC#CCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 168109804 RBWQOHLOAWAPBK-CQSZACIVSA-N 298.257 4.708 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1ccco1 189897489 UOBXVJAJNCLMDD-VAWYXSNFSA-N 295.382 4.783 30 10 CJEE C[C@H](SCCCC#N)c1cccc(Cl)c1F 191022729 QVJRXNPSHAZLIL-VIFPVBQESA-N 257.761 4.577 30 10 CJEE Cc1ccc(C)c(Sc2c(C)cccc2C#N)c1 221496351 XLQVOZPBVRMGRY-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C)c(C)c1OC 232960961 ZKTUGUQIDMEECV-INIZCTEOSA-N 263.425 4.672 30 10 CJEE C=CCCCCC[C@H](Cc1cccc(Cl)c1F)NC 234450705 QIIYDXOWCUNFIW-CQSZACIVSA-N 283.818 4.746 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2cccc3ccccc23)CC1 235698557 NVCMLRZLFOGJDV-CQSZACIVSA-N 264.368 4.698 30 10 CJEE CCCCCCC[C@H](O)c1ccc([C@@H]2C[C@H]2C)o1 250829273 PPHOCNQQEYMTTJ-MCIONIFRSA-N 250.382 4.797 30 10 CJEE CCC[C@@H]1CCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@H]2C#N)C1 252866254 QFUJHAOGDOJJIK-XMTFNYHQSA-N 290.495 4.853 30 10 CJEE Cc1ccc(N=Cc2ccc(Br)s2)cc1F 254397441 APEKELCTZCRSNS-UHFFFAOYSA-N 298.180 4.709 30 10 CJEE CC1(C)C[C@@]1(C#N)c1ccc(Oc2ccccc2)cc1 258969145 HYDQJKKKKRYYQN-GOSISDBHSA-N 263.340 4.670 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)CC1 307932778 YPYMTJIUPZJVSH-UKRRQHHQSA-N 274.383 4.714 30 10 CJEE C=CCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 309942908 BRYLYMDDVLVORH-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(CC#N)c2)c(C)c1 313438667 PTCHPPMTTUMHES-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CSc3ccccc32)C1 316840549 RBIIHUHPMNHDCJ-JKIFEVAISA-N 274.429 4.661 30 10 CJEE CCCCCCC[C@]1(CNCCOC)CCC[C@H](C)C1 318602381 HKJLJWOMUJUNCX-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](CC)C2CCC2)C1 325549372 KJZZKLRGRIHJGY-NRSFXHEJSA-N 276.468 4.605 30 10 CJEE CC1CCC(C#N)([C@@H](O)C2CCC(C(C)C)CC2)CC1 380424221 YFBAXUJSPOPGMC-LESVLKBLSA-N 277.452 4.530 30 10 CJEE Cc1cc(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)cs1 381609451 SIPPWZSVCSMNLW-MRXNPFEDSA-N 283.396 4.670 30 10 CJEE Cc1cc2ccccc2nc1[C@]1(C#N)CCCC[C@@H]1C 384862471 NCOFIOWBYXXUSJ-KSSFIOAISA-N 264.372 4.515 30 10 CJEE C=CCCCCCNc1cc(F)cc(Br)c1 387506890 HHPDXGCDXBUWGA-UHFFFAOYSA-N 286.188 4.747 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@H](c2ccccc2)CS1 391372198 SBSLMJFYVRAZID-HNNXBMFYSA-N 290.476 4.637 30 10 CJEE C=CC[C@H](CC)N[C@@H](c1ccc(Cl)cc1)C1CC1 393759361 ZETVDPJOFSZOQQ-JKSUJKDBSA-N 263.812 4.735 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](O)C2(C#N)CCC(C)(C)CC2)C1 394503703 AODUNBJWANXGKT-OAGGEKHMSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCN1CCC(CC#N)CC1 397413222 YKKTVHCUQULUAA-UHFFFAOYSA-N 264.457 4.753 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C(F)(F)F)cc1 398173508 LTWMZOHTBGKWPI-GFCCVEGCSA-N 271.326 4.540 30 10 CJEE CCCCCCC[C@H](CC(C1CC1)C1CC1)NC 400876414 UXMMULHHQUJNDO-MRXNPFEDSA-N 251.458 4.761 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 686698942 PPWAAVIZCCYMQB-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(COC)cs1 690060319 FPZTZYRRTSDFFV-HNNXBMFYSA-N 281.465 4.682 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)C(F)(F)CC 690999633 DSQYZXZGAKKUSP-KBPBESRZSA-N 273.411 4.782 30 10 CJEE CCSc1cccc(N[C@@H]2CCC23CCCC3)c1C#N 693784938 JZIYKICROFSZQX-MRXNPFEDSA-N 286.444 4.805 30 10 CJEE C[C@@H]1CC(C/N=C2/N[C@@H](CC(C)(C)C)CS2)C[C@H](C)C1 695334390 AORLIWQBNYUSPD-IXXDHKBRSA-N 296.524 4.556 30 10 CJEE CCC1(CC)CN/C(=N/CC2C[C@H](C)C[C@@H](C)C2)SC1 695337982 ZRMCHLUKHLHNPU-ZIAGYGMSSA-N 296.524 4.558 30 10 CJEE CN(C[C@@H]1CCCC2(CC2)C1)c1ccc(C#N)cc1Cl 696196886 VYEPQALDGIGWSS-CQSZACIVSA-N 288.822 4.618 30 10 CJEE CCCCCCCC[C@H](O)c1cc(CC)ccc1N 696603849 AFLZGNMQIKUMSW-KRWDZBQOSA-N 263.425 4.615 30 10 CJEE CCCCCCCCCOCC[C@H]1NCCC[C@H]1C 697226220 WCSNCSNGXUQAOU-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1C=C[C@H](N)C1 697385046 NYQLVXZPVPXZCF-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE CC1(C)CCC(C#N)(CCCOC2CCCC2)CC1 699957739 GTZGWFYJLULLSX-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccsn1 705415689 VNROFMUQUYGDCU-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H](c1ccccc1)[C@H](C)CC 710697307 OWBNYAYXYVJZJZ-XOKHGSTOSA-N 279.855 4.937 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(F)c(Cl)c1 715801696 ZEYUIIZOMUIQAQ-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](C)[C@@H]1CCCO1 720160959 XDHQZPUWJDEXJB-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE C=C1CCC(C[C@@H](O)c2ccc(C)c(Cl)c2)CC1 724552159 IVILGKJFJKPLRU-MRXNPFEDSA-N 264.796 4.818 30 10 CJEE C=C1CCC(CC(=O)c2ccsc2Br)CC1 724609693 XXVPSWTYFHEJQB-UHFFFAOYSA-N 299.233 4.830 30 10 CJEE CCCCN(C=Nc1nc2ccccc2s1)CCCC 1084049886 PETQWVCKNFZKOE-UHFFFAOYSA-N 289.448 4.858 30 10 CJEE C=CCC1(C(=O)Nc2cccc(CC)c2)CCCCC1 1124673837 PKBNIPYGKBKXJD-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCC1(CNC(=O)[C@@H](CCC)c2ccccc2)CCCC1 1128964344 RUWBGTKZQJSZGT-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=CCCC1(CNC(=O)c2ccsc2Cl)CCCC1 1131111797 ZQKGSUGBQSSRHW-UHFFFAOYSA-N 297.851 4.658 30 10 CJEE C=CCCC[C@H](NC(=O)c1c(C)coc1C)c1ccccc1 1132948604 DPNHESVFKGYETH-KRWDZBQOSA-N 297.398 4.724 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 1145005841 YBAOBZFFURWOCV-FNHZYXHNSA-N 299.458 4.945 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc2c(c1)C=CCCC2 1166973661 GWFDUXBTTQTGLV-UHFFFAOYSA-N 269.388 4.577 30 10 CJEE C#CCCCCCCN(Cc1ccc(Cl)cc1)C1CC1 1190392957 VZVRFJJGCQKXHY-UHFFFAOYSA-N 289.850 4.888 30 10 CJEE C=CCCC[C@@H](NCc1ccsc1)c1ccccc1 1203496426 GXQARTIQSMSCGO-QGZVFWFLSA-N 271.429 4.935 30 10 CJEE C=CCCCCCCCCN(C)C1CC(F)(F)C1 1209442170 BDLDIFAEBLKEFB-UHFFFAOYSA-N 259.384 4.633 30 10 CJEE C=CCCC[C@H](NC(=O)NC(C)(C)CC)c1ccccc1 1254755635 SIUAGDJIPYRSAI-INIZCTEOSA-N 288.435 4.572 30 10 CJEE C#CCCCCCC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1264869641 UJSJCNDRMOYNSK-IAGOWNOFSA-N 291.479 4.539 30 10 CJEE C=CC[C@@H](C)N1CCCc2cc(C(C)(C)C)ccc21 1307585577 KEELJBDSOJPUKB-CQSZACIVSA-N 257.421 4.701 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@@H](C)CCCCC)cc1 1361117397 FXWXLELKJLAICH-HNNXBMFYSA-N 290.403 4.763 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(F)cc1OCC#N 1462069333 CDLWQCHJPLXPAP-AWEZNQCLSA-N 290.382 4.665 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@@H]2CCCC[C@@H]2CCC)C1 1474181000 SRJNASNXXZMHJD-OWSLCNJRSA-N 263.469 4.927 30 10 CJEE C#Cc1ccc(CN[C@H](C2CCCCC2)C2CCC2)cc1 1474190533 WEEWVOBFXWRRFM-HXUWFJFHSA-N 281.443 4.507 30 10 CJEE C=CCCC[C@H](C(=O)NCC1(CCC)CC1)c1ccccc1 1518585934 HCTXBHGBIRBASM-SFHVURJKSA-N 299.458 4.823 30 10 CJEE C=CC1(CC(=O)N([C@H](C)CC)[C@H](C)CC)CCCCC1 1520863111 GABSFLDLSCHJOO-HZPDHXFCSA-N 279.468 4.939 30 10 CJEE C#CCCCCC(=O)Nc1ccc(OC2CCCCC2)cc1 1521764796 NCAQAUXEFJQITG-UHFFFAOYSA-N 299.414 4.530 30 10 CJEE C#CCC1(C(=O)NCC[C@H](C)CC(C)(C)C)CCCCC1 1523025912 FUSRFBHMYVDOPM-INIZCTEOSA-N 291.479 4.539 30 10 CJEE C=CC1(CC(=O)Nc2ccc(SC)cc2)CCCCC1 1524972114 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2294252872 WMRNXVDTGOTVDC-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc3ccc(Cl)cc3n2)C1 2294976374 IWGKAGPCJWWZKB-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CCCN[C@H](C#Cc1ccccc1Cl)CCCC1CC1 2295241709 CWVZXJMDAGTNFV-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@@H](C)N1C[C@@H](N)CCC1(C)C 2295519957 MBQUEYOZVZLBQW-SJORKVTESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N1CCC(C)CC1 2295536736 RDKJCSQDCMNUEC-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cc(CC)no1 2295680211 WZKFIGJGSIKEBY-HNNXBMFYSA-N 280.456 4.856 30 10 CJEE CCCCCCCCC[C@H](C)NCc1nc(C)c(C)o1 2295690925 HAWBUQKEOYNUNO-AWEZNQCLSA-N 280.456 4.910 30 10 CJEE C=CCC(CC=C)OCc1ccc(C)c(Br)c1 2298828509 LPBVOSINWYLMDR-UHFFFAOYSA-N 295.220 4.795 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(C)c(Br)cc1C 2304020999 CRXQJNWFGHCSLZ-BMIGLBTASA-N 296.252 4.539 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CC(C)(C)C(F)(F)F 2304052295 NEAJIHARJNDTKH-GFCCVEGCSA-N 250.304 4.527 30 10 CJEE C=C(Cl)C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2311511314 RHYRPNLGOYGWKV-ARFHVFGLSA-N 269.860 4.714 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](CC)CC[C@@H]1C#N 2313661057 LVGXFZPDYVJWDG-IIAWOOMASA-N 263.450 4.959 30 10 CJEE CC1=CC(=O)[C@H](CCCc2cc(Cl)cc(Cl)c2)C1 2318611324 XHPJVQGMQNWYIZ-GFCCVEGCSA-N 283.198 4.851 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)C1CCC(CC)CC1 2321108430 PKQYIRPUHWYXJZ-BHUNQDJPSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@@H](F)C1 2327224021 QFDLMHYDPMOCSV-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C=C(C(F)(F)F)[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2327973922 DMTCHXVUYMUCTD-LLVKDONJSA-N 298.135 4.594 30 10 CJEE CCC(F)(F)CCSc1ccc(C#N)c(SC)c1 2328534927 PLNRMOZCWIGNPM-UHFFFAOYSA-N 287.400 4.808 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@]12CCCC[C@@H]1CC2 2334755775 ABGKDIMIUAQKOX-KZNAEPCWSA-N 261.453 4.519 30 10 CJEE C=C1CCC(CNCc2c(F)ccc(C)c2Cl)CC1 2335415913 SYCBQUSNMVBPAP-UHFFFAOYSA-N 281.802 4.624 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(N)cc1F 2335922194 FJQTZHBYYFQXED-INIZCTEOSA-N 267.388 4.582 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cc(F)ccc1C(F)F 2338028521 WOVHOQLMVVRQFZ-MEBBXXQBSA-N 267.294 4.636 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2338737748 GSSPTXDKTSVWEW-MXSMSXNCSA-N 261.453 4.559 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338788203 UIHAYFCMBQRNFV-WNRNVDISSA-N 263.469 4.927 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@H]2CC[C@@H]2C2CC2)CC1 2342201574 IOTDBXFQPZHNEP-KBRIMQKVSA-N 260.421 4.764 30 10 CJEE C=CC[C@H](C)SC1(C(=O)O)CCC2(CCCC2)CC1 2352220283 DZTWABJCTSGKIU-ZDUSSCGKSA-N 282.449 4.642 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1ccc(F)cc1 2352320694 RKQOUYAOWBJNAF-INIZCTEOSA-N 283.456 4.634 30 10 CJEE CC1(C)C[C@@]1(C=O)CC1CCC(CC(F)(F)F)CC1 2353173246 ZGLUOLDHKGCSEK-ORHYLEIMSA-N 276.342 4.751 30 10 CJEE CCCCCCCCNCc1cc(C(C)C)ccn1 2353564509 NQWLOJKYBJIIPI-UHFFFAOYSA-N 262.441 4.655 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H]2C(C)(C)C)ccc1C#N 2353832703 TZYGHWFAVYDHKQ-ZIAGYGMSSA-N 274.433 4.517 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2358405563 OVLJNKSKPLRXDX-RBSFLKMASA-N 289.385 4.527 30 10 CJEE N#C[C@@H](C(=O)C1CCCCC1)c1c(Cl)cccc1Cl 36930426 ANJJJBPIUFNUDI-LLVKDONJSA-N 296.197 4.750 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1 37333887 BVABBPWDJKNJKW-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE N#C[C@H](CCCOc1ccccc1)c1cccc(Cl)c1 57685851 ZBJBYNUFQSDPIN-HNNXBMFYSA-N 285.774 4.806 30 10 CJEE CCCCCCCCNc1cccc(-c2nnco2)c1 59090719 CARZKALTFHARBZ-UHFFFAOYSA-N 273.380 4.509 30 10 CJEE CCCCCCCCCN(CC)Cc1cccc(N)c1 59267362 LNHNJKIALAEICX-UHFFFAOYSA-N 276.468 4.841 30 10 CJEE CCCCn1c(Cl)c(C#N)c2c(C)cc(C)cc21 71465822 GCFOTJQZWZETIM-UHFFFAOYSA-N 260.768 4.583 30 10 CJEE CCCc1oc(-c2ccc(OCC(C)C)cc2)cc1CC#N 77081584 HKVIGRQACRZNSP-UHFFFAOYSA-N 297.398 5.000 30 10 CJEE C=CCCn1cc(CN[C@H](C)CC)c2c(Cl)cccc21 84842331 CLKQAVDYGLXLBV-CYBMUJFWSA-N 290.838 4.759 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(NC2CCCCCC2)CC1 86949531 CMMSIXJGDWPORH-SJLPKXTDSA-N 276.468 4.942 30 10 CJEE C[C@@H](CS)CSc1ccc(Cl)c(Cl)c1 87098350 PSOKAKKICYAMJZ-ZETCQYMHSA-N 267.246 4.651 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2c(Cl)cccc2Cl)C1 87973402 MTCYPDTUEDVKIZ-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE CC[C@H](C)c1ccccc1OCC[C@H](C)CCS 94583198 WHVSMEWSFSBFKY-KBPBESRZSA-N 266.450 4.925 30 10 CJEE CC(C)(CS)COc1ccc(Cl)c2ccccc12 94584857 VANFTOMZUQFDCE-UHFFFAOYSA-N 280.820 4.828 30 10 CJEE CN(CCCCCCCCCS)c1ccc(C#N)cc1 97799268 GWFCBYKGFWMAPH-UHFFFAOYSA-N 290.476 4.655 30 10 CJEE O=C(/C=C\c1ccccc1O)c1ccc(Cl)cc1Cl 103043803 BSSZZMBTTFYYLJ-YVMONPNESA-N 293.149 4.595 30 10 CJEE CCCCCCCCO[C@@H](c1ccsc1)[C@H](C)N 105551365 XRHSOFXJJVNSPL-DZGCQCFKSA-N 269.454 4.514 30 10 CJEE CCCCCCCCCCOc1cccc(CC(=O)O)c1 109971653 MWAFIUSAFKWABM-UHFFFAOYSA-N 292.419 4.833 30 10 CJEE CCCCCCCO[C@@H](CNC)c1ccccc1Cl 110067983 GNAIPLINKIZMNL-INIZCTEOSA-N 283.843 4.588 30 10 CJEE CCCCCCCCC[C@H](Cc1ccc(OC)cc1)NC 112893761 AQBNLRUWXGKUKV-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1[C@@H](C)CC 114349287 OJEVQBZGCPTKMZ-IPMKNSEASA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1CC(CC)(CC)NC[C@H]1C 115248770 WZZMUHXTZHABGY-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCNCC1(O)CCCC1 115633481 KRXKAFYBJAWBEB-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE CCCCCCCCCC(=O)N(CC)c1ccccc1N 115854697 PWTNKZOCGWRUHM-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE CCCCCCCCCCN1CCC[C@@H]1CC(C)=O 118728488 RAWYXTLVFCGDDH-QGZVFWFLSA-N 267.457 4.571 30 10 CJEE CCCCCCCC[C@H](Cc1c(C)cc(C)cc1C)NN 122156900 CXEFXFZEFJNOTA-GOSISDBHSA-N 290.495 4.737 30 10 CJEE CCCCCCCCCCNC1=N[C@H](CC)CS1 124890798 BAFXPUABCGOSSY-CQSZACIVSA-N 270.486 4.598 30 10 CJEE CSc1cccc(NCCCCC(C)C)c1C#N 127089315 VUIMHLDGUQVLND-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 127763409 FGDUPAFEUYRQSE-RBSFLKMASA-N 288.822 4.982 30 10 CJEE C#CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC(C)C 133190257 ZYYFWTJONCPCDM-BZSNNMDCSA-N 277.496 4.724 30 10 CJEE CSc1cccc(Nc2ccc(C)c(C)c2)c1C#N 136615363 LZZVFCFYYVKCKS-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE C[C@H]1CC(C)(C)CC[C@H]1Nc1cc(C#N)ccc1Cl 155993761 PKHFUZJWTPOHDQ-SMDDNHRTSA-N 276.811 4.838 30 10 CJEE COc1ccc(CC2(C#N)CCCCCCC2)cc1F 156741752 SAQUSNOTWOKEMS-UHFFFAOYSA-N 275.367 4.631 30 10 CJEE CCCCCCCCCCC[C@H](NN)[C@@H](C)CC 159833469 RLQCOAODGRNZOY-HOTGVXAUSA-N 256.478 4.785 30 10 CJEE CCCCCCCC(=O)Cc1ccn(C2CCCCC2)n1 165960410 MLDFFDKUGXJWCZ-UHFFFAOYSA-N 290.451 4.860 30 10 CJEE C=CCC[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC 167802987 AFJSYPYHHVSVQG-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE CCCCCN(C(C)C)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 217942875 FYBYKPACGXOBAJ-GVDBMIGSSA-N 264.457 4.605 30 10 CJEE CCC[C@H](CS)COc1ccc(F)c(C(F)(F)F)c1 226464757 QTFKGMWAAVYAHL-VIFPVBQESA-N 296.329 4.569 30 10 CJEE CCC[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 233297271 BPBHNKIBEPKZPX-MRVPVSSYSA-N 297.836 4.683 30 10 CJEE CCC[C@H](C)[C@@H](C#N)Sc1ccccc1Cl 233353158 MREXSHSKFIIKAC-GXFFZTMASA-N 253.798 4.760 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccc(Br)cc1 235510901 AMVAJSQZTRHJNY-ZDUSSCGKSA-N 296.252 4.846 30 10 CJEE O=C(C1=CCCCCCC1)c1cc2c(s1)CCC2 236394190 QJXYCKLLWGABHO-UHFFFAOYSA-N 260.402 4.700 30 10 CJEE C[C@@H]1CCN(CCCC(C)(C)C#N)[C@H]1c1cccc(F)c1 245411089 VBTFZAUSKGGUFD-RHSMWYFYSA-N 288.410 4.539 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]2CC[C@H]1O2 250827120 OGQQUXOTYZBCIO-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE CCC(CC)N(CC(C)C)[C@H]1C[C@H](CC)CC[C@H]1C#N 251707928 RBTGTKMWJUJCDT-RYRKJORJSA-N 278.484 4.851 30 10 CJEE COc1ccc(N=Cc2ccc(-c3ccccc3)o2)cc1 252619369 LOFNWALEXHZUGO-UHFFFAOYSA-N 277.323 4.706 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H]2CCCO2)C1 300186727 ZPJBQANVNQZLRM-LVQVYYBASA-N 295.492 4.643 30 10 CJEE CCCN[C@@H](CCCC#CC(C)(C)C)C(C)(C)C 302239017 CKWNYFOQRILWDU-HNNXBMFYSA-N 251.458 4.621 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 308057298 ROMNVKICXBWQMA-TZMCWYRMSA-N 277.795 4.589 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 310612715 AEABBCLQOCERGK-AWEZNQCLSA-N 284.230 4.694 30 10 CJEE N#Cc1cc(F)cc(OCc2ccc(Cl)cc2Cl)c1 311434991 NWRPEYASWORMPC-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C=C([C@@H](NCCC)[C@H]1CCCCC1(C)C)C(F)(F)F 311503637 MDVKAXFIFQEECY-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=C([C@@H](NCCC)c1cc(Cl)ccc1F)C(F)(F)F 311880971 BMZQZYJEJZQOEB-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccc(C(C)(C)C)cn2)C1 312229664 DHSILXAOPOCITD-RDTXWAMCSA-N 270.420 4.741 30 10 CJEE C[C@@](C#N)(NC1CCCCCC1)c1c(F)cccc1Cl 313664412 LYUYQVYPQKCVSE-INIZCTEOSA-N 294.801 4.530 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2csc3ccccc23)C1 316687917 YGNARKFGZAPFHU-DYVFJYSZSA-N 272.413 4.839 30 10 CJEE Cc1nc(CC2(C=O)CCC(C(C)(C)C)CC2)sc1C 317345279 SCUDCMOHJVJMQQ-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE C#CCCC1(CNC(C)(C)C)CCC(C(C)C)CC1 317833073 BPSMNAVFONQWPZ-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H](CC1(COC)CCC1)NC 380769771 RMXFVOPOPSWNTD-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCCC1(F)F)NN 381787392 AQMQTJOTCVKIAQ-CABCVRRESA-N 290.442 4.785 30 10 CJEE CCCCCCCC[C@@H](CCCCOC)NCCC 382389357 RLCMDMZRIMCLRJ-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)CC(C)(C)C)C1 384509431 GOCXYGNUXWEGDJ-HZMVEIRTSA-N 278.484 4.851 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1nc(C(C)(C)C)cs1 384877948 QBNYDTXCEGVTPD-BLLLJJGKSA-N 276.449 4.703 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCCCC1CCOCC1 384887440 SMJQMHKYWPKKSX-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE CC(C)(C)c1ccc([C@@H]2CC[C@](C)(CC#N)O2)s1 386102607 KCDHQFYFLIQRFX-XHDPSFHLSA-N 263.406 4.569 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc2sccc2c1 386681320 XIZKZDWWRUHFQH-INIZCTEOSA-N 271.429 4.746 30 10 CJEE CCCCCCCCC[C@H](CN1CCCCC1)NCC 392865221 TTYRSMBFRYTFOO-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@H](O)c1c(F)c(F)cc(F)c1F 395753988 HGJTYOHKCZKUBN-NSHDSACASA-N 278.289 4.637 30 10 CJEE CSc1cccc(NC[C@H](C#N)C2CCCCC2)c1 397143947 LHXIKDRUTKQPGJ-AWEZNQCLSA-N 274.433 4.540 30 10 CJEE CCC[C@](C#N)(Nc1cccc(Cl)c1)[C@@H]1CC1(C)C 397711897 SUCRJPMAANMCFG-GDBMZVCRSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCCN1[C@H]2CC[C@H]1[C@H](C)C(=O)C2 686170932 QTYYFHIYEHXFDR-ULQDDVLXSA-N 279.468 4.569 30 10 CJEE C#CCCCCC[C@]1(CNC(C)C)CCCC[C@H]1C 686703071 UYINMBSDBUNVKZ-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@](C)(O)[C@@H]2CC2(C)C)C1 688320643 YNERMKJLDMPTIV-CXAGYDPISA-N 277.452 4.530 30 10 CJEE C=CCCC[C@@H](NCC)c1cccc(C(C)(C)C)c1 691655271 VGRARLYGPWUEMD-QGZVFWFLSA-N 259.437 4.991 30 10 CJEE CCCCCCCOc1cccc(F)c1Br 694731770 PSWZGULQFNPQGA-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCCC[C@@H]1C1CC1 695835354 COQGZPKGPGHQHG-IUODEOHRSA-N 274.795 4.592 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NC 698105081 LXQVUTBSPUMBDD-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE CCCCCCCC[C@@](C)(O)c1nc(C)c(C)s1 701923439 OVADYHPKXVHHOG-OAHLLOKOSA-N 269.454 4.718 30 10 CJEE CCCC(CS)(CCC)CN1CCCC2(CC1)CC2 702598006 PYYYFGKJFDRTSS-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1COC[C@H]1C 705291707 PXXZJRVLMWNOSW-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1CCCC12CC2 706963011 WESRRMRRVXLUSO-IAGOWNOFSA-N 280.500 4.929 30 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C=CCOc1ccc(CN[C@@H](CC)CCC)cc1Cl 1461170406 LYNJBFCJJBATJW-AWEZNQCLSA-N 281.827 4.573 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cc(Cl)c(OC)c(OC)c2)C1 1462385817 DSLRWOXIHKPKRJ-VXGBXAGGSA-N 295.810 4.514 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)C[C@H]2CC=CCC2)c1 1467478070 OXZAIWNRIUZUAF-HNNXBMFYSA-N 284.403 4.540 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc(-c2ccon2)c1 1474721202 UEZLVEPDFRIFAS-CQSZACIVSA-N 270.376 4.888 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCCC1 1524765215 RSHCBQIUQCGTOC-ZDUSSCGKSA-N 291.822 4.654 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H](C)CCC=C(C)C 1531450295 SRCGVUZCFHTBQO-INIZCTEOSA-N 279.468 4.868 30 10 CJEE C=CCCC[C@H](C(=O)N1CC[C@@](C)(CC)C1)c1ccccc1 1533747063 WNRBPCJMXCZRML-AZUAARDMSA-N 299.458 4.775 30 10 CJEE FC(F)(F)c1ccc(-c2ccccc2CCS)cc1 1536113896 FEUGGZGIWYKALK-UHFFFAOYSA-N 282.330 4.845 30 10 CJEE C=CCCC[C@H](NC(=O)CCC(=C)C)c1ccccc1 1537032687 TUMJZFQBCKOBAQ-KRWDZBQOSA-N 271.404 4.557 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(CCC(C)C)cc2)C1 1544499675 JAZZVDDWDJPTOA-UHFFFAOYSA-N 271.404 4.570 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC/C(C)=C\c1ccccc1 1560530924 QOTUEQOYXZIKPW-CHJACSPRSA-N 269.432 4.814 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(F)c(C)c2)cc1 1614826228 YOXUMEIMSPTYKV-UHFFFAOYSA-N 282.358 4.713 30 10 CJEE C=CCN(C(=O)Nc1cccc(C2CCCCC2)c1)C1CC1 1626550333 NGZUPTBYFMBNHE-UHFFFAOYSA-N 298.430 4.917 30 10 CJEE C=C(CC)CN[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1644267917 OEHRXQVPXJTLAB-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C=CC1CCN(Cc2c(C)c(C)c(C)c(C)c2C)CC1 1644617562 FEGWBBKRTRPMSR-UHFFFAOYSA-N 271.448 4.627 30 10 CJEE C=CCC[C@H](NC[C@H](C)C(C)(C)C)c1ccccc1 1653940875 KLFNFFXRQGTXFK-RDJZCZTQSA-N 259.437 4.966 30 10 CJEE C=CCCCCCN1CC[C@H](C)C[C@@H]1c1ccco1 1657406350 AZUQLQYIPPRNKC-JKSUJKDBSA-N 261.409 4.799 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC(C)(C)C[C@@H]3C)cc21 1658997282 AZVBAONQWLMXGH-YOEHRIQHSA-N 297.446 4.849 30 10 CJEE C#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 1659830837 HOGKQSIDUFVBIO-NHCUHLMSSA-N 295.470 4.897 30 10 CJEE C#Cc1ccc(NC[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 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C=CCCCCCCC[C@@]1(OCCCN)CCC=C1C 2292647955 SZOHENNTIUELAL-GOSISDBHSA-N 279.468 4.747 30 10 CJEE C=CCCCCCC[C@H](OCCCN)c1ccc(Cl)o1 2292786906 IPUDWIHWOXAMBY-AWEZNQCLSA-N 299.842 4.866 30 10 CJEE C=CCCCCC[C@@](C)(OCCCN)C1CCCCC1 2292891695 ICEQHBULIVSUBT-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@](CC)(CCC(F)(F)F)OCCCN 2293299083 XJJLKNDCFLTPGV-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@H]1CC12CC2 2293461562 WLQZHIPNBOAHSF-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1CC(C(C)C)C1 2293565193 ZNMYRVLMDLRSEN-DAWZGUTISA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@](CCC(C)C)(OCCN)C1CC1 2293667897 TZVCPJFPFDZAIK-GOSISDBHSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](CCC1(F)CCC1)OCCN 2293736681 KFHISFBCJYNYGQ-INIZCTEOSA-N 287.463 4.753 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cccc(C)c1C 2294025154 YXAHQUIUJIZKBT-GOSISDBHSA-N 277.452 4.680 30 10 CJEE CCCCCCC[C@@H](OCCN)C1CC(C2CCC2)C1 2294308428 JKWGFXAKUDWTJV-DAWZGUTISA-N 281.484 4.517 30 10 CJEE 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C=CCC(CC=C)[C@@H](N)c1ccc(Cl)cc1Cl 2301055427 NQMOMMDRKATMTD-CQSZACIVSA-N 270.203 4.762 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C)s1 2304024420 KPDIATRZTQCXPN-HUUCEWRRSA-N 251.439 4.700 30 10 CJEE C=CCCCCCC[C@@H](O)C[C@H]1CCC[C@@H]2C[C@@H]21 2312083895 JYIDNHNUNLAMEX-QBPKDAKJSA-N 250.426 4.700 30 10 CJEE CC#CCCCCNc1cc(C2CC2)ccc1Cl 2316252466 SNUFCSIXTGZNAS-UHFFFAOYSA-N 261.796 4.823 30 10 CJEE C=CCC(CC=C)[C@](C)(CCCC)CNC(C)C 2316746963 MJHPHIRCUOTKSA-QGZVFWFLSA-N 251.458 4.949 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CCCC(C)(C)C1 2321096323 QPRUADOJDSMCFY-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE Cc1ccc(OCC2(CS)CC(C)(C)C2)c(Cl)c1 2321740963 HSSFCKGNGDNALB-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@@H](F)C1)NCC 2327362628 VTZPJLFZWQEDGC-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE Cc1ccc(C(=NOCc2cccc(Cl)c2)C2CC2)cc1 2330296608 VPQUEVYWTMZPDT-UHFFFAOYSA-N 299.801 4.979 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc(Cl)cc1 2330455666 GCOOUVVOQMYAFR-UHFFFAOYSA-N 294.181 4.934 30 10 CJEE 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C=C[C@H](C)C[C@@H](N)CC1CCC(CC(F)(F)F)CC1 2353167675 ZYMFHFNQJCHONE-GFJIZPEISA-N 277.374 4.675 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1CCO[C@@H]1C 2358322784 WGEHWSWJLKSPJI-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCc2ccccc2C1 2359353369 GWPBHMIYUNPVQF-TWKWOARYSA-N 265.400 4.512 30 10 CJEE C=CC[C@@H](C)Sc1ccc(OC)cc1CN[C@H](C)CC 2360364156 KCWBBBWOUKGGLC-ZIAGYGMSSA-N 293.476 4.640 30 10 CJEE Cc1ccc(F)c([C@H](O)CC#CC2CCCCC2)c1Cl 2360533033 RBTYMGTYAXXVJE-OAHLLOKOSA-N 294.797 4.795 30 10 CJEE C/C(=N/Nc1ccc2ccccc2c1)c1ccccc1 5287770 KHZPBETVSQSFCE-RGEXLXHISA-N 260.340 4.676 30 10 CJEE Cc1ccc2nc(-c3ccc(Cl)cc3)c([C@@H](C)C#N)n2c1 31921360 KBHMAHRWEXSWEW-LBPRGKRZSA-N 295.773 4.590 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(C(F)(F)F)cc1 37937972 QURISVMFLKDQML-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Cc2ccccc2)cc1 41357518 RSSSPJHTOSPOJP-QGZVFWFLSA-N 263.384 4.834 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)Cc2cccs2)cc1 41390537 IOPFHDLBDPCQGI-CQSZACIVSA-N 269.413 4.895 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1cccc(F)c1 57750460 BTMATMHNQUATOI-MRXNPFEDSA-N 297.373 4.808 30 10 CJEE CC(C)(C)[C@H]1CCCN(c2ccc(C#N)cc2Cl)CC1 79343859 RTBZQDHLJODZHK-AWEZNQCLSA-N 290.838 4.864 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86880932 AVURBMOZRFKADN-WCQYABFASA-N 262.784 4.592 30 10 CJEE SC[C@@H](CSc1cccs1)c1ccccc1 87096605 BKURSDXBAGBNMT-LBPRGKRZSA-N 266.456 4.554 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 87990027 LTENZHKKEZWTIT-BBWFWOEESA-N 251.458 4.927 30 10 CJEE Cc1cccc(Cl)c1N[C@@H](C)c1ccc(C#N)cc1 90525080 OGYIAZOYJJDMOF-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@](C)(O)c2cccs2)CC1 91878996 WAJNJEXDAKMNLA-BLDCVEFLSA-N 291.460 4.702 30 10 CJEE FC(F)(F)c1cccc(OCCCCCCS)c1 94584120 IXHLIWHTBNLKTO-UHFFFAOYSA-N 278.339 4.574 30 10 CJEE CC(C)(C)c1cccc(OC[C@@H](CS)C(C)(C)C)c1 94584365 IXXNBTSJDNNHMR-AWEZNQCLSA-N 280.477 4.955 30 10 CJEE CCc1c(C2(CC(C)C)CCCC2)sc(C#N)c1N 94908718 UOYOIWCNLMGBOU-UHFFFAOYSA-N 276.449 4.622 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 97219404 YKHCCSHRHCKFMG-PBHICJAKSA-N 295.854 4.832 30 10 CJEE CCCCCCCCOCCN[C@H]1CCCC[C@H]1C 110239547 FBHANTLJDMPSDJ-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCN1CC(C)(C)NC[C@@H]1C(C)C 114060601 PIFFYTNPVRYYBF-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCC(=O)Cc1ccccc1CN 121988871 PNEFKZVVESTJNN-UHFFFAOYSA-N 289.463 4.788 30 10 CJEE CCCCCCCCOc1cc(C)nc2ccc(N)cc12 122128718 UKBAMXGLTYYLMR-UHFFFAOYSA-N 286.419 4.865 30 10 CJEE CCCCCCC[C@H](O)c1c(C(C)C)nn(C)c1Cl 122459408 CGHCHVPSBKZMJR-LBPRGKRZSA-N 286.847 4.591 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@@H]1CCOC1)NN 130589614 MPRWKNVUJFWVQP-ZWKOTPCHSA-N 298.515 4.556 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCC(C)(C)C[C@H]2C)CC1 132204782 LPWBTNQEUMGYLU-JVDULTGUSA-N 291.479 4.920 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc2nccnc12 135353053 UTLQLJGJUBTDHI-KRWDZBQOSA-N 286.419 4.804 30 10 CJEE CCCCCCCC[C@@H](O)c1snnc1C(C)(C)C 135385146 ZLDBYSLNJZXHNX-GFCCVEGCSA-N 284.469 4.620 30 10 CJEE CCCCCCCCCCC[C@@H](O)[C@H](C)CCOC 159230912 ZKUDMCDOYLYCNP-IAGOWNOFSA-N 272.473 4.941 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)CCSCC 159990522 PADZNLWZFIRHIR-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE CCCCCCCCC(=O)c1cccc(F)c1F 164745675 RAJXSIUEBRGYIE-UHFFFAOYSA-N 254.320 4.898 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1cnn(CC)c1 167503080 JDYVLNNFIFVBDF-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)cc(Cl)c1 167679037 HCQCPEDRCISLNQ-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](OC)c1ccccc1 167746205 DPIDHBMDJBFWGG-MSOLQXFVSA-N 277.452 4.713 30 10 CJEE CCCCCCCOc1cc(F)cc(Br)c1 211811264 LRCKRDZDAFGNJI-UHFFFAOYSA-N 289.188 4.937 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(Cl)c1C 220396477 ZJTGKLABOOYAIF-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1cccc(F)c1 222554748 JEKIQPAICFFADI-COXVUDFISA-N 274.383 4.592 30 10 CJEE CC(C)(C)c1ccccc1Oc1cc(F)cc(C#N)c1 227633502 XFNRHGMDCZUXFB-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 227897773 JIQLMDFDUBSWEG-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2cc(F)ccc2O1 229047103 RJJYDZMVKZXOSP-RDJZCZTQSA-N 279.399 4.727 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@H](CC(C)C)C2)c1 230779410 QULUHYXXNBPVQI-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@@H]1CNCC(C)C 232961978 CZBOAQXUIGSUCK-MSOLQXFVSA-N 283.500 4.778 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(F)c2ccccc12 233106395 INYMPNARSNNGAT-SFHVURJKSA-N 271.379 4.986 30 10 CJEE Cc1ccc(Sc2ccc3c(c2)CCC3)c(C#N)c1 236002214 KQUFQWDATPCRRJ-UHFFFAOYSA-N 265.381 4.507 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](CS)C(C)(C)C 251506267 HEWIIJOCYPBPPJ-QWHCGFSZSA-N 299.911 4.925 30 10 CJEE C[C@@H]1CCCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252101678 GJDSZJARUHOUBI-YYIAUSFCSA-N 276.468 4.605 30 10 CJEE Cc1ccc(N=Cc2cc3cccc(C)c3nc2O)cc1C 254384324 UAADBRTVCQBZOI-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE C[C@H](CC#N)c1cc2ccccc2n1C1CCCC1 260065856 PJQGWPUUUQQQDF-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CC(C)n1c([C@@H](C)C#N)cc2ccc(C(F)(F)F)cc21 260076736 QCQDRMYXBCYGIX-JTQLQIEISA-N 280.293 4.868 30 10 CJEE C=C(CC)C[C@]1(CNC(C)C)CCC[C@@H](CC)C1 318120089 VGOIOHDDZDHVOX-IAGOWNOFSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCN[C@@H]1c2ccccc2OC1(C)C 380627299 SXNVGCBLIXSYMT-QGZVFWFLSA-N 273.420 4.625 30 10 CJEE C=CCS[C@H]1CCCCCCCCCC[C@@H]1N 383170743 NSOQWHBBCGTLTR-GJZGRUSLSA-N 255.471 4.516 30 10 CJEE CC(C)CN(CCCCC(C)(C)C#N)c1ccccc1 383544900 FSJCYDCEFGITOE-UHFFFAOYSA-N 272.436 4.869 30 10 CJEE CC(C)CCCCCC/N=C1/N[C@@H](C2CCCC2)CS1 386227465 JLICNBHFJFKZNT-MRXNPFEDSA-N 296.524 4.844 30 10 CJEE C=CCC(C)(C)CNC1CC(c2cccc(Cl)c2)C1 389023620 GYNBMZRUJOBJMI-UHFFFAOYSA-N 277.839 4.778 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H]2CCCC[C@H]2C1 394027069 CPJLVGKBGQNOSJ-HOTGVXAUSA-N 283.525 4.625 30 10 CJEE Cc1cc(C)c(N=C2NC3(CCCC3)CCS2)c(C)c1 687323260 LTFWEVMJIMMZOU-UHFFFAOYSA-N 288.460 4.639 30 10 CJEE Cc1cc(N[C@H]2CCCCC[C@H]2C#N)cc(C)c1Cl 690285235 AWOVQFXSRYFSFX-ZFWWWQNUSA-N 276.811 4.841 30 10 CJEE CCC1(CC)CCCN(CC2(CS)CCCCC2)C1 690467342 MVQJQNAXSKLGOG-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CC[C@@H](CC#N)Nc1ccc(OCc2ccccc2)cc1C 691156167 ZEHWMCCTBOYQJH-KRWDZBQOSA-N 294.398 4.678 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](C)CCN 697033026 WXXCPJZKCHWLSP-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CNc2ccccc21 697068045 JCEKNKPXXJSIBZ-HZPDHXFCSA-N 275.436 4.697 30 10 CJEE CC1(C)CCC[C@H](/N=C2/N[C@H](C(C)(C)C)CCS2)CC1 697622483 FESBJSVPJPFPMX-KBPBESRZSA-N 296.524 4.843 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](N)C1CCC1 702308134 BXEBLTJYBUDHOB-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc2cscc2s1 703653772 NDVBRJHLGFLBRU-GFCCVEGCSA-N 265.447 4.970 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Cl)cc1 704021234 DKEAFUNWWVRKKZ-ZDUSSCGKSA-N 265.828 4.983 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)[C@@]12CCCC[C@H]1C2 709205670 RKOMFZPHODOBEM-RBOXIYTFSA-N 274.795 4.592 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@H](CC(C)(C)C)CS1 710675061 RPAMVLRCIYSXIC-UKRRQHHQSA-N 296.524 4.843 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCC2)C2CCC2)cc1Cl 711832330 ISNDPADHHMVUTK-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE COCC(C)(C)CC1(C#N)CCC(C(C)(C)C)CC1 712662890 IQXFGUOXGXBAFP-UHFFFAOYSA-N 265.441 4.795 30 10 CJEE CCSc1cccc(NCC[C@@H]2C[C@H]2C2CC2)c1C#N 712681019 NZUWNLJRBPUAND-KGLIPLIRSA-N 286.444 4.518 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1F 715737598 KQRQVOFIYOPBSX-BMIGLBTASA-N 287.781 4.871 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C=O)CCCC[C@@H]1C 719587376 ZVPMDCJVVNUHIU-LNLFQRSKSA-N 288.431 4.625 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(CC)s2)CC1 724440722 HLYVEWZPFWNZOV-CYBMUJFWSA-N 263.450 4.708 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2CCC(F)(F)C2)CC1 724576105 SURCRRWBIAYGEW-JKSUJKDBSA-N 285.422 4.927 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)c1ccc(C(F)F)nc1 872100141 HKAKLRLDDCNDCR-LBPRGKRZSA-N 282.378 4.662 30 10 CJEE Cc1ccccc1NN=Cc1ccc(C(C)(C)C)cc1 1083904769 VFAGDHMCDGPQKH-UHFFFAOYSA-N 266.388 4.739 30 10 CJEE Cc1ccc(C=Nc2cccc3ccccc23)s1 1084246602 LPVJUGCSMYFGMM-UHFFFAOYSA-N 251.354 4.960 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 1124586284 OKRQFXRGGYCIAC-UHFFFAOYSA-N 297.320 4.536 30 10 CJEE C=CCC1(C(=O)N2CCC(C)(C(C)C)CC2)CCCCC1 1138471493 TVKUSPGYWBVJDO-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=CCN(CCc1ccco1)CCC1C[C@H](C)C[C@@H](C)C1 1168580593 PQGQCZVNUOFTRP-IAGOWNOFSA-N 289.463 4.773 30 10 CJEE C=CC[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccncc1 1200551978 KZKKQVHDMNGAIN-IBGZPJMESA-N 294.442 4.786 30 10 CJEE CCCCCCCCN(C)Cc1nc2ccccc2o1 1201839438 DBUDUWQHJZCXKO-UHFFFAOYSA-N 274.408 4.620 30 10 CJEE C=CCCC(C)(C)CNCc1ccc2cc(OC)ccc2c1 1203339094 LCCMQRQGIXDWPC-UHFFFAOYSA-N 297.442 4.930 30 10 CJEE C=CCCCCN[C@H](CC)Cc1ccc(C(F)(F)F)cc1 1205471801 QOVDPMICMZSHDM-MRXNPFEDSA-N 299.380 4.972 30 10 CJEE C=CCC[C@H](CCC)NC[C@H](CC)CC(F)(F)F 1206313126 FZPQITJTADFACG-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CC1(CC(=O)NCCCC2CCCCC2)CCCCC1 1264516919 WMMFLNRIMFCUMI-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@@H]1CCCCC)c1ccccc1 1266104026 DHRGVIJXOXEAGN-MJGOQNOKSA-N 299.458 4.918 30 10 CJEE C=CCC[C@@H](NC(=O)CC(C)(C)CC)c1ccccc1 1266421836 SWIYUFPQIMRWNR-MRXNPFEDSA-N 273.420 4.636 30 10 CJEE C=CCCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21 1266472923 CLDNASFLDXQBNL-UHFFFAOYSA-N 298.213 4.629 30 10 CJEE C=CC[C@H]1N(C(=O)/C=C(/C)C(C)(C)C)CCCC1(C)C 1270803948 XTDSRTNKPJMAMO-SEWDUPMJSA-N 277.452 4.572 30 10 CJEE C=C(C)[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)c(F)c1 1307698987 RBYPSGRSGYKUCB-OSDKZWGASA-N 291.385 4.608 30 10 CJEE C=C(C)CCN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1308773711 JLYNCKLAWPZXKY-GOEBONIOSA-N 297.364 4.897 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](C)C(C)(C)C 1353118102 QGSRYVKOGKZQSB-HZPDHXFCSA-N 287.447 4.520 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(OCCCCC)cc1 1354720282 QHRREEGKFSLBDU-HNNXBMFYSA-N 290.403 4.763 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1ccc(SC)cc1 1436008933 JKACWIJLQOAFAZ-QWHCGFSZSA-N 278.417 4.615 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2CCC)c1 1439929571 FQRCEXBXPXYCGW-UHFFFAOYSA-N 279.383 4.925 30 10 CJEE C=C[C@](C)(CC)C(=O)N(CC)C[C@H](CC)c1ccccc1 1459231447 VZVMFOKXCQOSBC-QFBILLFUSA-N 287.447 4.631 30 10 CJEE C=CCCCN1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C 1473817803 YMXDGFBHCFUDLG-ZDUSSCGKSA-N 297.364 4.638 30 10 CJEE C=CCC[C@@H](NC(=O)c1cc(F)ccc1C)c1ccccc1 1520011829 WDCVJBNCSLQARK-GOSISDBHSA-N 297.373 4.571 30 10 CJEE C#CCCCCCC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C 1523791546 WSHKTFODTVITOF-HXUWFJFHSA-N 299.458 4.646 30 10 CJEE C=CCC1(NC(=O)CC[C@@H](C)c2ccccc2)CCCCC1 1526048778 DIHAOQFHKULLII-QGZVFWFLSA-N 299.458 4.966 30 10 CJEE C=CCCCC(=O)N[C@H](CCCC=C)c1ccccc1 1533766139 JCUHIQXRJNDFPI-QGZVFWFLSA-N 271.404 4.557 30 10 CJEE C=CCCCCCN(C)C(=O)CCC1CCCCCC1 1538733201 FSLPJQUUNNMBHF-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=CCCCNC(=O)CC1CCC(C(C)(C)CC)CC1 1543799801 YVCYXDWMMUCMOJ-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1c1cccc(C)c1C 1544291440 XDCGQYWDMMRGEZ-SFHVURJKSA-N 285.431 4.569 30 10 CJEE C=CCCCCCCCNC(=O)c1cc2c(C)cccn2c1 1556898723 OIAXSXWIRNAGQT-UHFFFAOYSA-N 298.430 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263.469 4.927 30 10 CJEE C=CCCCCCCCC[S@](=N)(=O)C[C@H]1CC1(C)C 2265183494 OZRNPUBTGFGLJN-BEFAXECRSA-N 285.497 4.996 30 10 CJEE CO[C@@H](CC(C)(C)C)CC1(C#N)CCC(F)(F)CC1 2271628110 YTTHDHPBSFMSBS-LBPRGKRZSA-N 273.367 4.547 30 10 CJEE O=C(C#CC1CCCCC1)Cc1ccc(Cl)c(Cl)c1 2273900187 OBJZVKHVFOLRIF-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H](C)[C@@H](C)CC 2276640633 PCEWHGRRRWKTHD-ULQDDVLXSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@](C)(C2CC2)CO1 2278127874 SLNJVEVMIXIGPN-IRXDYDNUSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@](C)(O)CC1(COC)CC1 2278169241 NYFLKOUXEQYJMT-INIZCTEOSA-N 270.457 4.695 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@H]1CCOC1 2278248180 ZTJMJJMWDXSBMS-SJORKVTESA-N 269.473 4.532 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC[C@H]2CCCCC23CC3)C1 2279736399 KKMPSTJTHFGBAW-ZACQAIPSSA-N 275.436 4.836 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(C)c(C#N)c(C)c2)CC1 2280564679 VQUOKSLJVBPXLH-HZPDHXFCSA-N 270.420 4.946 30 10 CJEE O=C[C@]1(C[C@H]2CC(F)(F)C23CCC3)CCCC12CCC2 2280808957 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CC(C)NC[C@]1(CC#CC2CCCC2)CCC12CCC2 2289902114 XQVLUDWHVLUPJQ-IBGZPJMESA-N 273.464 4.519 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C=O)CCCOC2(C)C)C1 2290055445 XTCWNGDQLKAVMV-JTTJXQCZSA-N 280.452 4.613 30 10 CJEE CN(CCCC(C)(C)C#N)[C@@H]1CC(C)(C)CCC1(C)C 2290316606 GZOZDSJEEHLRGW-OAHLLOKOSA-N 278.484 4.853 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)[C@@H]1CC1(C)C 2290572868 XWZDKSGGNOXJLO-LSDHHAIUSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](CCC[C@@H]1C[C@H]1C)OCC(=O)O 2291377065 BJIBLRYQNGHYHW-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@]1(OCC(=O)O)CCC[C@@H]1C 2291812025 VAVRSDXQTUUUMV-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@](C)(CCC1CCC1)OCC(=O)O 2292140919 IWCFKPYYPBHWSH-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](OCCN)c1c(C)cccc1C 2292637081 XYTXEJJBXNGCJB-KRWDZBQOSA-N 277.452 4.680 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CC(C)(C)C1(C)C 2292797277 CERHQRMQXJBZOF-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC1(OCCCN)CCC2(CC2)CC1 2292909127 MIDXTJDEOGZWED-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCN)C(C)(C)C1CCCCC1 2293133885 HPWZZAWWWXXNQQ-NVXWUHKLSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC1(C)C)OCCCN 2293643681 SJPQPDJMLAPMLI-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)c1ccc(C)cc1C 2293673507 QRPDLTTWWCBDOU-SFHVURJKSA-N 277.452 4.680 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCS[C@@H](C)C1 2294001041 RDGFJQICQNTNOM-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C=CCC(C)(C)C1 2294353391 ALLJADOQWZZVDJ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@]1(C)CC1(F)F 2294357882 VEXDFGONIJJSKD-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CN(CCCCCCCS)C[C@@H]1C[C@@H]1c1ccccc1 2294772843 IXSSAQYIXAKNSZ-ZWKOTPCHSA-N 291.504 4.602 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)C[C@@H]1CCCCN1 2295519312 FPOFLRJPCFVORT-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1COC(C)(C)C1 2295674306 PVTVSKFKAMUPLW-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCC[C@@H](CC)C[S@](=N)(=O)CC#CC1CCCCC1 2295698393 AQMGJPJCVCMPIH-OXQOHEQNSA-N 297.508 4.833 30 10 CJEE C=C[C@@H](C)C[C@H](NCC)c1ccc(CCC)s1 2300610598 JNRLPJUZPDGJNM-OCCSQVGLSA-N 251.439 4.563 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1c(C)sc(C)c1C 2304046449 QVAPMGCZGJPQMR-MEBBXXQBSA-N 251.439 4.536 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)[C@H](C)CC 2313524613 NEONJBKJRXDKPF-GDBMZVCRSA-N 269.498 4.655 30 10 CJEE O=C1C(=CC=Cc2ccccc2)Oc2ccc(Cl)cc21 2314519324 IXVIXFASRZFMJR-UHFFFAOYSA-N 282.726 4.512 30 10 CJEE Cc1c(COCCC(C)(C)C#N)ccc(Cl)c1Cl 2317297001 CWESGCFCQOOWFV-UHFFFAOYSA-N 286.202 4.758 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CC[C@@H](C)[C@H](C)C1 2321107218 DZAAEZYOWDHXDY-HHARLNAUSA-N 251.458 4.639 30 10 CJEE COc1cccc(SCC2(CS)CC(C)(C)C2)c1 2321751649 FXBNGYVJUCTKBZ-UHFFFAOYSA-N 282.474 4.524 30 10 CJEE CCCCCCCCC(=O)[C@H]1OC[C@@H]2CCCC[C@H]12 2333523077 IMKCEIQBBNBMTC-ZOBUZTSGSA-N 266.425 4.511 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@H](C)CCCCCCCCC)C1 2335075484 CFIYCTPEMSAQPD-FGTMMUONSA-N 263.469 4.907 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](C(C)C)CC[C@@H]1NC 2335097521 YUJOETCIEYHPDU-HYVNUMGLSA-N 281.509 4.653 30 10 CJEE C=C(C)CCCC[C@]1(C(=O)O)C[C@H]2C=C[C@H]1CCC2 2338626370 WCRUJWLGYHSWPW-INMHGKMJSA-N 262.393 4.570 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@]1(C)CC=CCC1 2338730104 NJKQXYDZLQZAKX-MSOLQXFVSA-N 261.453 4.869 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccccc1C(C)C 2338742516 WODAQNMQQXTWNX-SFHVURJKSA-N 257.421 4.839 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2339044378 IVDNONGIXAFSTE-DISONHOPSA-N 262.437 4.988 30 10 CJEE Cc1cc(C#N)nc(Nc2ccc(Cl)c(C)c2Cl)c1 2340138114 HRPLMUMRSHAJBC-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340257102 ZJQYHNZITXQMOV-GFCCVEGCSA-N 299.867 4.644 30 10 CJEE C#C[C@H](NCCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341140633 HRVJWZLUWRPQJX-HNNXBMFYSA-N 298.257 4.564 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(F)ccc1C1CC1 2341792615 LKOQZPFLHUKQPE-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2ncc(C(F)F)s2)CC1 2343573051 OHJMRJBCPHKGMG-VIFPVBQESA-N 285.359 4.646 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1cccc(C(C)C)c1 2343606409 QFRWFLKJDQWUBN-SFHVURJKSA-N 252.357 4.557 30 10 CJEE C=CCCCN[C@H](CC)c1ccc(C(F)(F)F)cc1 2343785349 JXZKNCYSKHJBOQ-CQSZACIVSA-N 271.326 4.712 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc2cccc(F)c2o1 2344338181 XGXFSBBSMSGFLM-HZPDHXFCSA-N 261.340 4.564 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(OC)c(Cl)c1 2344339312 HZUYKNVHJILBHB-JKSUJKDBSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@H](Cc1c(F)cccc1Cl)NCC 2344346089 PVQFLWKZQYMBEU-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ccc([N+](=O)[O-])cc1 2352075152 AXXKSJMVWLWNBC-CQSZACIVSA-N 299.461 4.669 30 10 CJEE CC(C)[C@@H]1CC[C@H](N(C)C[C@](C)(CS)C(C)(C)C)C1 2352098372 MJUYJVJAXJMERJ-HLLBOEOZSA-N 285.541 4.725 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC12CCCCCC2 2352306443 MJCDKGCFLKBZTR-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE CSc1cc(N[C@@H]2CCC[C@@H]2C(C)C)ccc1C#N 2353830775 OMTUVGYPCONCOA-HUUCEWRRSA-N 274.433 4.517 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@@]2(C)C(F)(F)F)CC1 2354713047 CJNHOACYFCEJCP-RRFJBIMHSA-N 289.385 4.690 30 10 CJEE C#CCCCCC[C@@H](NC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354883657 VRFIHIQVBMCMJF-CADBVGFASA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@@H]1C[C@H]1CC 2360079521 ITUMTESNLPRGKS-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1cc(C#N)ccc1F 20023874 UGXMKRBWIIUSCC-OWQGQXMQSA-N 289.394 4.675 30 10 CJEE O=C1/C(=C/c2cccc(Cl)c2)Oc2ccc(Cl)cc21 39842285 WTOWMZDVHCHGHM-AUWJEWJLSA-N 291.133 4.610 30 10 CJEE N#C[C@H](CCCOc1ccccc1)c1ccc(Cl)cc1 57685049 UGPVSOYHZGUBFT-HNNXBMFYSA-N 285.774 4.806 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2cc(C)ccc2C)c(C)c1 57695442 CXMBGXUPTICIMT-SFHVURJKSA-N 293.410 4.997 30 10 CJEE CCCCCCCOCC(=O)c1cccc(Cl)c1 59526077 IIOIEONOXAOIGP-UHFFFAOYSA-N 268.784 4.510 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426807 GEYFVYXJBPGHIS-OUCADQQQSA-N 294.851 4.936 30 10 CJEE CCOc1ccccc1OCC[C@]1(C#N)CC[C@@H](CC)C1 88415912 GUAGWKOOPVRYDL-CRAIPNDOSA-N 287.403 4.574 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(OCCCC)cc1 97283267 QLIOHPFGFNCISX-SFHVURJKSA-N 275.436 4.872 30 10 CJEE C/C(=N/C[C@H](C)/N=C(/C)c1cccs1)c1cccs1 102035013 PQWMSOFECDVPSP-MMGZLYTFSA-N 290.457 4.516 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C(=O)O 103465515 CFNVKVOMXLXIJH-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE C=C(Cl)COc1ccc(Cl)cc1[C@@H](C)NCCC 110096628 IUJFXDJDUNVUGH-LLVKDONJSA-N 288.218 4.532 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)C(N)=S 110270986 XGRHABVBRRLDHF-HNNXBMFYSA-N 286.529 4.514 30 10 CJEE CCCCCCCCC[C@H]1Cc2ccccc2[C@@H]1N 110445835 ZCCUZMUFPMVLEU-FUHWJXTLSA-N 259.437 4.999 30 10 CJEE CCCCCCC[C@H](N)Cc1c(F)cccc1Cl 110446670 AKMZTBPOEUUEBP-LBPRGKRZSA-N 271.807 4.709 30 10 CJEE CCCCCCCOc1cc(OC(C)C)c(F)cc1N 110642558 ZSYWBHWELACRDM-UHFFFAOYSA-N 283.387 4.544 30 10 CJEE CCCCCCCOc1cc(F)ccc1[C@@H](C)NCC 111235998 WTBFKUIPYNOULQ-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccc(OC)cc1 115858065 IIAOBSDZDUDZRN-KRWDZBQOSA-N 287.403 4.622 30 10 CJEE CCCCCCC[C@@H](CSc1ccccc1F)NC 117373833 ZJPPIPZVVVRZCB-AWEZNQCLSA-N 283.456 4.866 30 10 CJEE CCCCCCC[C@H](O)CSc1ccc(F)cc1 117401944 LDGFBZHKYDKGRB-AWEZNQCLSA-N 270.413 4.639 30 10 CJEE CCCCCCCC[C@@H](CO)c1ccc(F)cc1 118848715 JXPSLERSRPRSAB-HNNXBMFYSA-N 252.373 4.652 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(F)cc2C#N)c(C)c1 126222037 UJTNHFQWSZRKRZ-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CCCC1CCC(C#N)([C@H](O)CC2CCCCC2)CC1 127463718 ICQBGUCFJGQSCM-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CCOC2(CCCC2)C1 132463027 HECUXYULVUBIBS-SJORKVTESA-N 282.468 4.837 30 10 CJEE C=C(CNCC[C@H]1CCC[C@@H](C)C1)c1ccccc1 134365958 TXJJOFSVLKUUFL-NVXWUHKLSA-N 257.421 4.506 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(F)c(F)c2)C1 149825479 WUCVYEKXRCTIRW-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE C=CCC[C@@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 156101472 HGWYBEXMBQOFHT-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CCCCCCC[C@H](N)[C@]1(OCC)CCC[C@H](C)C1 158462043 LLNQOJSOGQPFPY-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CCCCCCCCCN1CC[C@@H](NCCC)[C@H](CC)C1 159479904 HRAPCYDMEHRFEQ-RTBURBONSA-N 296.543 4.837 30 10 CJEE C=CCN(c1ccccc1[C@@H](C)NCCC)C(C)(C)C 162268102 FHOBYHBDBXMDJL-OAHLLOKOSA-N 274.452 4.538 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(Br)c1C 167779250 YWGAAZASBFXKNS-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCO[C@@H](CCC)CNC(C)(C)C 211658720 ZLMDEKHTOLMKIQ-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccc(Cl)c(Cl)c1 212967620 XDCHPUTYJKKICD-WFASDCNBSA-N 297.229 4.823 30 10 CJEE CCC(CC)[C@H](C)Nc1cc(Br)cc(C#N)c1 227618845 OQVKPAXUDOSJSR-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C#CCCCCN[C@@H]1CCCC[C@H]1C1CCCCC1 229640091 OXORTYRHKJEONR-ZWKOTPCHSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCCc1nc([C@H](O)CC)no1 231782779 WBTOCLVURVQCBB-CQSZACIVSA-N 282.428 4.586 30 10 CJEE CCCCCCCCCC[C@@H](N)CCOCC(F)F 232087976 JKRJWLRKYIDMTL-CQSZACIVSA-N 279.415 4.516 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@@H](OC)C1 232929086 GUWHBJHQQLUOQE-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCc1c[nH]c2c([N+](=O)[O-])cccc12 232937082 HFLRNQZSZQYOQM-UHFFFAOYSA-N 274.364 4.979 30 10 CJEE C=CCCCCC[C@H](NCC)c1sccc1OC 233547883 KVZHCGUGSCCDNQ-ZDUSSCGKSA-N 267.438 4.544 30 10 CJEE C=CCCCCC[C@H](O)c1ccccc1Br 236538390 WFUCRWJKNLNJLH-AWEZNQCLSA-N 283.209 4.619 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@]1(C)C1CC1 250843443 ZAOJPIPNESOTHV-RTBURBONSA-N 294.527 4.590 30 10 CJEE CC1(C)OB(/C=C2/CCCC[C@@H]2c2ccccc2)OC1(C)C 307565441 FKBMBJQLTFYPLM-YHKKIHSWSA-N 298.235 4.902 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1c(F)cccc1Cl 308039179 MLWIFPIUXYUMAW-SECBINFHSA-N 292.716 4.663 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1ccc(C#N)c(Cl)c1 308734265 XHGQOKBILAATOV-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE C=CCCCCCNc1cc(C)c(F)cc1Cl 310123486 VRNZXSYOBSXNQR-UHFFFAOYSA-N 255.764 4.946 30 10 CJEE CC[C@H]1CC[C@](C#N)(c2ccc(C(F)(F)F)cc2)C1 311366999 SDNWNZKUISZLNK-FZMZJTMJSA-N 267.294 4.677 30 10 CJEE CCCCCCCCC[C@H](N)C#Cc1ccccc1 314765585 AYAGBWMOJAZJJV-SFHVURJKSA-N 257.421 4.506 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(C)ccc2C)C1 316819804 KEZYQCHYFZOTHN-WMZOPIPTSA-N 258.405 4.631 30 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4.589 30 10 CJEE CC(C)CC[C@@H]1CCC[C@H]1NCC1CCC(C#N)CC1 442851379 FZXRKLAJINWICW-ZGUYJTEBSA-N 276.468 4.511 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(C=C)cc1 504294697 CRIKXNUIXLHQME-UHFFFAOYSA-N 277.367 4.701 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 642882816 SUKJOQVRRVJLJL-TWGQIWQCSA-N 294.247 4.741 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H](O)C(C)(C)C)C1 688308618 OFTKJFNIVQTAFJ-ZDUSSCGKSA-N 265.441 4.530 30 10 CJEE N#CC1(C[C@H]2CC3CCC2CC3)Cc2ccccc2C1 691759270 OVJCESAPFKJTLV-JTTJXQCZSA-N 265.400 4.512 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1C 692191668 SXUHHLRVTOMAJQ-RHSMWYFYSA-N 277.839 4.873 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(C)cc(C)cc1C 692213158 FMQTWKAARBAJPR-MJGOQNOKSA-N 271.448 4.836 30 10 CJEE C=CCSc1ccccc1N[C@H](C)C1(Cl)CC1 695636536 HZIHMTDMHDMJKB-LLVKDONJSA-N 267.825 4.537 30 10 CJEE CCCCCCCCCC(=O)Cc1csc(COC)n1 699001043 QHBJXVWAGBJNRD-UHFFFAOYSA-N 297.464 4.542 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)C[C@H](C)N(C)C1 705093990 CZZHKCZOLHZNIU-ZWKOTPCHSA-N 282.516 4.719 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SJWIFNYLYHCFRS-FUHWJXTLSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@](C)(O)C1CCOCC1 2207438941 VAOHXPXFRQMYJZ-SFHVURJKSA-N 282.468 4.861 30 10 CJEE CCCCCCCC[C@@H](CN)N(CC(C)(C)C)C1CC1 2207452533 GDKSRGIBWFTKCP-KRWDZBQOSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)CC1CCC(C)CC1 2207455200 BFYJHFLFZPCORP-OPQOLIRYSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)Cc1ccc(C)s1 2207456958 MMSWAKVGKQXBNL-INIZCTEOSA-N 296.524 4.566 30 10 CJEE CCCN[C@](C#N)(CSCC(C)C)C1CCCCCC1 2208097897 NTJOYURWJLBRPU-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C=CCCCCCCCC(=O)CSCC(C)C 2214624297 XBXBRGUBSMJUAN-UHFFFAOYSA-N 256.455 4.861 30 10 CJEE CCCCCCCC[S@](=N)(=O)CCCCC1CC1 2220007500 TYNVFFHIBNOGAU-SFHVURJKSA-N 273.486 4.974 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CCCC1(F)F 2220089460 QFBRFTBBHBWZAA-UONOGXRCSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCCSCC1(CC(=O)O)CC1 2220095069 YKSIXFAMYJFFJU-UHFFFAOYSA-N 270.438 4.501 30 10 CJEE C=CCCCCCN[C@@H]1CCC[C@H](C(C)(C)C)C1 2222259858 PUKXYWMSAWATNI-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCOCC(=O)CC1CC1 2223240252 BFAQUXZCCFUHJR-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@](C)(CC)OC 2223848086 LMUIYKPYDURZDG-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@H]1CC[C@@H]1C(F)(F)F 2224485410 LRCHCYUECADUOP-MBNYWOFBSA-N 276.342 4.751 30 10 CJEE CCCCCC#CCN1CCC[C@H](CC=C(C)C)C1 2225008853 GDHJARZQADHELV-GOSISDBHSA-N 261.453 4.638 30 10 CJEE Cc1cc(NC[C@@H](C#N)C2CCCC2)c(F)cc1Cl 2226387856 CILZSROEZSBCAG-GFCCVEGCSA-N 280.774 4.529 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1nc(C(C)(F)F)cs1 2226472282 WEXCWNBUEQXNJR-QWRGUYRKSA-N 288.407 4.508 30 10 CJEE CCCCCCCCC[C@]1(CO)CCCC(C)(C)O1 2226853410 HNCJVBUYLVQRQM-QGZVFWFLSA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)CCCCC1CC1 2227200083 PRKBJKJTPIRHQY-MRXNPFEDSA-N 268.441 4.637 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](CC)COC 2227267887 KNMRTSFUDIKDLT-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCC[C@@H](N)c1coc(C(F)F)n1 2227286222 HKSYBQWANVDHGZ-LLVKDONJSA-N 272.339 4.529 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)c(OC)c1 2227588021 RIZOKBYKZJEPOW-GFCCVEGCSA-N 281.827 4.602 30 10 CJEE C[C@H]1C[C@@H](NCCC#CC(C)(C)C)c2ccsc2S1 2230503208 VJFLSXPLSDAZIQ-GXTWGEPZSA-N 293.501 4.703 30 10 CJEE CC(C)(C)C#CCCN[C@H]1CCC2(CCCCC2)C1 2230503537 HAIPARMDPISDHB-INIZCTEOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCN(C)[C@H]1CCC12CC(F)(F)C2 2230685051 RTIGWKFICWSEQT-AWEZNQCLSA-N 273.411 4.857 30 10 CJEE CCCCCCCCCOc1c(N)ccc(F)c1F 2230984688 UUBHNVJMNGAZLZ-UHFFFAOYSA-N 271.351 4.676 30 10 CJEE CCCCCCCOc1csc(CN[C@@H](C)CC)c1 2231473359 DEYHBRLAEZBUHG-AWEZNQCLSA-N 283.481 4.985 30 10 CJEE C=CC1(C[C@H](O)c2ccc(C3CCC3)cc2)CCC1 2231693027 GANGXJMBKMIVCO-KRWDZBQOSA-N 256.389 4.734 30 10 CJEE CCCCCCC[C@@H](O)c1ccc([C@H]2CCOC2)s1 2231839255 OHULFNHYMKOASM-UONOGXRCSA-N 282.449 4.646 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(COC)CCC1 2231927867 HRZWCYNXIVNEAF-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cccc2ccoc12 2232392769 FYUJQIGDUPYYNT-XJKSGUPXSA-N 257.377 4.686 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](CC(C)(C)C)c1ccccc1 2234695446 WLIRGQRBWUIIJT-ROUUACIJSA-N 271.448 4.801 30 10 CJEE C=CCCCCCCCNC[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2235513740 MKHLDCRGAGMNDW-BZUAXINKSA-N 285.422 4.784 30 10 CJEE C=CCCCCCCC[C@@H](O)C(C)(C)[C@H]1CCCCO1 2235523489 GLKLUFRHLLHCNI-IAGOWNOFSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCOc1ccc(CC(C)=O)cc1 2235527584 WWEAYRZOVWDOFC-UHFFFAOYSA-N 274.404 4.724 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1c(C)cccc1C 2237761306 XSWDJLXQJYKHMO-INIZCTEOSA-N 276.420 4.598 30 10 CJEE N#CC1(C[C@@H]2OCC[C@@H]2C(F)(F)F)CCCCCCC1 2240552487 VBJMOOWPHLSYHE-STQMWFEESA-N 289.341 4.598 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)CCC1CCC1 2240565848 MKBCPODCJGUVQD-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NCC)C(C)(C)CC 2240666759 PQXRXAGYXWERKZ-FUHWJXTLSA-N 285.516 4.902 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)N)cc1C 2240741350 FKACBCOOJONKAO-INIZCTEOSA-N 276.468 4.811 30 10 CJEE Cc1cc(Br)ccc1SCCCCS 2241583012 PWRAJZSDMUTXFW-UHFFFAOYSA-N 291.279 4.560 30 10 CJEE CCCC(CS)(CCC)CSCC(C)(C)OC 2246986152 VOSKFUCBPIRSFO-UHFFFAOYSA-N 278.527 4.661 30 10 CJEE N#C[C@@]1(CC[C@@H]2CCCCC23CC3)CCCSC1 2253885384 BESZCDQTYMHRTP-GJZGRUSLSA-N 263.450 4.774 30 10 CJEE C=CCCC[C@H](CCCC[C@@H]1C[C@H]1C)NCCC 2254600711 YNARPUMOXRTXTL-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCN(C)[C@H](C)[C@@H]1CC12CCC2 2256418580 AASBKYIQISCGKN-CVEARBPZSA-N 251.458 4.857 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCC[C@H]2C(F)F)C1 2257775326 RHGQQWZGHJZTTC-RGCMKSIDSA-N 255.352 4.778 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ncc(Cl)cc1Cl 2259237031 JTHWPHFCGCFUGC-ZDUSSCGKSA-N 287.234 4.785 30 10 CJEE C=C(C)CCCC[C@@H](C[C@@H]1CC1(C)C)NCCC 2259238536 INVDGIRNIURJAF-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCCC(=O)c1cnc(C(C)(C)C)s1 2259240177 XIQLQMAGPYPMLU-UHFFFAOYSA-N 265.422 4.760 30 10 CJEE N#CC1(CCCCCCCCCCCCO)CC1 2260816319 LSQRLDJNJOBORW-UHFFFAOYSA-N 251.414 4.574 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C(F)(F)F)s1 2263440257 OLUIXLVWAZSQGD-JTQLQIEISA-N 277.355 4.774 30 10 CJEE CC1CCC([C@@](C)(N)CC=CC#CC(C)(C)C)CC1 2268742311 NDQRORPNVRSJJG-HTWSVDAQSA-N 261.453 4.526 30 10 CJEE CC(C)CCC[C@@H](C)CCOC[C@@H](C#N)C(F)(F)F 2269432847 ACBXSVQFQLPTGF-CHWSQXEVSA-N 279.346 4.558 30 10 CJEE C=C(C)CCCCOc1cc(F)c(Cl)cc1[N+](=O)[O-] 2271833022 KDAQIIPZGYHETM-UHFFFAOYSA-N 287.718 4.513 30 10 CJEE CC(C)CCC[C@H](C)CCNCCC#CC(C)(C)C 2272291880 AIESSFITXYGZEX-KRWDZBQOSA-N 265.485 4.868 30 10 CJEE C=CCN(CC[C@@H](C)CCCC(C)C)CC(F)(F)F 2272353648 WOKRAHISJQZZNG-AWEZNQCLSA-N 279.390 4.889 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cc(C(F)F)cs1 2274105961 GNNQJANQVNFEHW-CYBMUJFWSA-N 283.387 4.530 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(C)c(Cl)s1 2274119873 GFMLXVLABRZSRK-AWEZNQCLSA-N 295.879 4.944 30 10 CJEE CC1(C)CCC(C)(C(=O)CC#CC2CCCC2)CC1 2274129280 JGOMSRVBEHQWIG-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C(C)C)OCCN 2276748228 BNWQFUKMNJAOGU-SJORKVTESA-N 271.489 4.763 30 10 CJEE SCCCCCCCN1CC[C@H](C2CCCCC2)C1 2277500267 IQWFXZICWRADRY-KRWDZBQOSA-N 283.525 4.769 30 10 CJEE CC[C@@](N)(CC=CC#CC(C)(C)C)c1cccc(Cl)c1 2284092263 XVZWOKMQELPJFC-GOSISDBHSA-N 289.850 4.900 30 10 CJEE COC[C@@]1(C)C[C@@H]1CC1(C#N)CC(C)(C)CC(C)(C)C1 2284659965 QYSGVGFEYZIMOU-RHSMWYFYSA-N 277.452 4.795 30 10 CJEE CCCCCCC[C@H](O)C(=O)CCCCC[C@@H]1C[C@H]1C 2284941587 VUCBEJPKRFWJHG-ZACQAIPSSA-N 282.468 4.883 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)CCO[C@@H](C)C1 2287374668 HWEJODNGYGFPIR-WMZOPIPTSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCSc1cc(C)nc(CCN)c1 2288400496 NLXMQDYHYPPBLX-UHFFFAOYSA-N 292.492 4.510 30 10 CJEE CC[C@H](CCO)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 2289437051 PXLHLAVAHXCDIM-QKPAOTATSA-N 297.508 4.625 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H]1CCCC[C@@H]1CC 2289614144 KFBDHERISFITJS-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H](C)C1CCCCC1 2289698096 OQBWPJBRZOJMIT-APWZRJJASA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C1CC(CC(C)(C)C)C1 2289971022 BJORLFNIHWZLLY-VMWRSERWSA-N 271.448 4.750 30 10 CJEE C=CCCCCCCCC[C@H](CC1CC1)OCC(=O)O 2291258928 BNMLATFRIYTKRC-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCN)C(C(C)C)C(C)C 2292802924 IKDKDTVPMDTPLO-GOSISDBHSA-N 283.500 4.785 30 10 CJEE C=CCCCC[C@@]1(OCCCN)C[C@H](C)CC(C)(C)C1 2293267771 CBVYXKMIXRPOLL-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCN)C1=CC[C@@H](C)CC1 2293281924 XOIDCHTWBGMPPC-AEFFLSMTSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCC2(CCC2)C1 2293286884 RAXJYTLPIFZZKK-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)C[C@H](C)[C@H]1C 2293526455 AJPGQJMLCVKNBL-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCCN)[C@H](C)CC(C)C 2293578187 WHWKZXXXBWEYIK-QZTJIDSGSA-N 283.500 4.929 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)c2ccsc2C)CC1 2294111022 MMGDTNDPKHVSFH-QGZVFWFLSA-N 293.476 4.600 30 10 CJEE C=CCCC[C@H](NCC)c1ccc2cccc(Cl)c2n1 2294965856 AOOLMMYXKVZGIJ-HNNXBMFYSA-N 288.822 4.895 30 10 CJEE CCN[C@H](C#Cc1ccccc1Cl)[C@H](CC)CC(C)C 2295215261 VSAXWTZZIMNLTK-CRAIPNDOSA-N 291.866 4.742 30 10 CJEE CCCCCCCCC[C@H](C)NC1C[C@H]2COC[C@@H]2C1 2295676760 OCCLTDRPSQARFN-ULQDDVLXSA-N 281.484 4.530 30 10 CJEE C#CCCCCCNc1ccc(C)c(C)c1Br 2299841986 WHIVMHDTSOOHDC-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)NC 2309147261 CBXSPPQVRROKOA-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE C=CCC(CC=C)S[C@H](c1sccc1C)[C@H](C)N 2313646361 YBFYJRHSSHVACE-WFASDCNBSA-N 281.490 4.699 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NCC)cc1F 2313689050 LLXQIKOZFFANGY-NWDGAFQWSA-N 267.413 4.553 30 10 CJEE CC[C@](C)(C(=O)C1=CC[C@H](C(C)C)CC1)C(F)F 2315009065 RFSONNWQSSZONS-XHDPSFHLSA-N 258.352 4.619 30 10 CJEE C=C(C)C[C@@H](C[C@]1(C)CCCCC1(F)F)NCC 2319293226 NOBPMPKHIILQTB-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)ccc1C 2321097892 GBJUPXNDOQKDNB-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)cc1CC 2321102931 VHBNIKBLWYEULH-WBMJQRKESA-N 265.828 4.765 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc2cc(Cl)ccc2o1 2321113990 UAKZLYHSCIPKFV-AWEZNQCLSA-N 263.768 4.688 30 10 CJEE CCCCCCC[C@@](C)(O)c1ncsc1C1CC1 2321441314 QULYGRKSYUQYOB-OAHLLOKOSA-N 267.438 4.589 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(C(F)(F)F)s1 2335192909 BECHWYCCQPCNQD-JTQLQIEISA-N 289.366 4.938 30 10 CJEE C=CCC(CC=C)[C@H]1CCCCC[C@@H]1CNCCC 2338724976 MIIVSAYQDAKAES-QZTJIDSGSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CC[C@H](CC)C1 2338735838 ORZGAXCYRXNXGK-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@]1(CNC2CC2)CCCC[C@H]1C 2338737194 BFJCSAOFNNEUDZ-QAPCUYQASA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@](C)(F)C(C)(C)F 2338740566 GPKOQFBWNGHOOZ-GDBMZVCRSA-N 273.411 4.599 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@]12CCC[C@H]1CC2 2338745164 UKJNXBJDSDKIKH-OKZBNKHCSA-N 261.453 4.703 30 10 CJEE Cc1c(CNC[C@H](C#N)C(C)(C)C)ccc(Cl)c1Cl 2339106520 QIYYJLXRQWPQNL-LBPRGKRZSA-N 299.245 4.577 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)C1 2339276615 ZUQPFVDQZNOFOX-DZVNLGKHSA-N 260.421 4.764 30 10 CJEE C=C[C@H](CCCCC)O[C@H](C)CCCCNC(C)C 2340372898 NNWNZCGVIIIWGU-IAGOWNOFSA-N 269.473 4.695 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(C)cc1SC 2342389557 YAKVTUOGTXTZAG-GDBMZVCRSA-N 275.461 4.724 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(C2CCC2)C1)NCC 2344335995 FKOZGLPPPZVGGF-PREGVCBESA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(OC)c(Cl)c1 2344339311 HZUYKNVHJILBHB-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1nc(C)c(C(C)(C)C)s1 2344344977 KYBMIPZPOJHXLO-MLGOLLRUSA-N 280.481 4.741 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC 2344372616 UEIFZBWAWDYYBM-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C#CC1CCCCC1)NCC 2344385440 PPGCPAOGVTVXIE-MSOLQXFVSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)cc1C)NC 2344386226 VKFQNRLHLGSMOX-SJORKVTESA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(CC(C)C)c1 2344459939 MPWRFMNAKMVBTC-MSOLQXFVSA-N 260.421 4.911 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC(C(C)C)C(C)C)NN 2344473790 MUDDVUWHQGTONH-DLBZAZTESA-N 268.489 4.519 30 10 CJEE C=C([C@H](NCCC)[C@H]1C[C@@H](C(F)(F)F)C1)C(C)(C)C 2352753495 BULPRAHRQMNHPE-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE Cc1c(Cl)ccc([C@H](C)NCC2(C#N)CCC2)c1Cl 2353025890 WGIPFBLVMHKXBR-NSHDSACASA-N 297.229 4.646 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358665335 BWSCEBKSLNFZKR-FZKCQIBNSA-N 285.422 4.782 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1ccc(Cl)c(C#N)c1 36973158 DNSIBJWODYYNSW-WCQYABFASA-N 264.800 4.838 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccc(F)cc2)c(C)c1 57685606 LXXXHWHSGPFDCP-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2cccc(F)c2)cc1 57688394 FPGNCZFWHYZETM-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE Cc1cc(C)c([C@H](C#N)CCOc2ccccc2C)c(C)c1 57695788 UDYDYWFJANWIEP-SFHVURJKSA-N 293.410 4.997 30 10 CJEE COc1ccc([C@@H]2CCCC[C@@H]2CC#N)cc1Cl 62661286 AFPQXLFPCVAUCW-DGCLKSJQSA-N 263.768 4.536 30 10 CJEE N#Cc1c(NC/C=C/c2ccccc2)sc2c1CCCC2 75834744 YWYKRZGVJNPCDW-RMKNXTFCSA-N 294.423 4.624 30 10 CJEE C=C(C)Cn1cc(CCCCNCCC)c2ccccc21 92130375 UYFZSFOHXDUTAP-UHFFFAOYSA-N 284.447 4.540 30 10 CJEE CCCc1ccc(OC[C@H](CS)c2ccccc2)cc1 94585127 LMCFNHHUHVQYGK-QGZVFWFLSA-N 286.440 4.732 30 10 CJEE CC1CCC(C#N)(Cc2nc(C(C)(C)C)cs2)CC1 94981720 CBBGUMRFNFJROT-UHFFFAOYSA-N 276.449 4.703 30 10 CJEE C[C@H]1CCC[C@@H](C)N1CCCCCCCCCS 97799178 QOKGZANAVWNQFA-IYBDPMFKSA-N 271.514 4.910 30 10 CJEE FC(F)(F)CN(CCCCCCCCCS)C1CC1 97799306 HZEPTUSJMSPUDI-UHFFFAOYSA-N 297.430 4.674 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(C)c(F)c1 103932358 ZTQMEWBIFATJSH-INIZCTEOSA-N 251.389 4.885 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1\C(=O)C[C@H]2[C@H]1C2(C)C 107144760 XFVXJCUKDGDYGB-MBXNNAIKSA-N 291.394 4.771 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cnccn1 107680767 NXNZLQOUIBWQLR-QGZVFWFLSA-N 278.440 4.821 30 10 CJEE CCCCCCCCCCCC(=O)Nc1nnc(C)s1 108688528 BXUZYHAKGDCUKC-UHFFFAOYSA-N 297.468 4.706 30 10 CJEE CCCCCCCCCCCCN(C)C(C)(C)C(=O)O 109671723 RHFNDMIXILGGKI-UHFFFAOYSA-N 285.472 4.702 30 10 CJEE Cc1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1Cl 110055156 DAPFTWZRDUOAFK-CMDGGOBGSA-N 289.737 4.596 30 10 CJEE CCCCCCCCCCNC[C@H](C)N1CCCCC1 110167665 WPXNTAZXBKASCL-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCN1CCNC(CC)(CC)C1 114054951 MNZLEKPQWVYWSK-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC(=O)Nc1cc(Cl)ccc1N 115061973 XUNOUIGZIFLUNJ-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE CCCCCCCCC(=O)N(C)[C@H](C)c1cccc(N)c1 115854623 CZYFJLHCKQZNNR-OAHLLOKOSA-N 290.451 4.539 30 10 CJEE Cc1cc(Cl)cc(C)c1Oc1cc(C#N)cc(Cl)n1 122553374 AAZGIQYKXCRIFD-UHFFFAOYSA-N 293.153 4.669 30 10 CJEE CCCCCCCCCCC(=O)CC1(CN)CCC1 123076142 QTYNVBWOUDLFRF-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(F)cc1C#N 126292610 DOCQEEYWMZEWFJ-SRCQZFHVSA-N 274.383 4.570 30 10 CJEE CCCCCCC[C@@H](N)Cc1cc(F)ccc1Cl 126649415 RVCZMLMGABAHSA-CQSZACIVSA-N 271.807 4.709 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnn(CC)c1 129409295 SQSBFZPZTFRJDK-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE N#CCc1ccc(N[C@@H]2CCc3sc(Cl)cc32)cc1 129550799 CFYDAGWYTMKNHB-CYBMUJFWSA-N 288.803 4.567 30 10 CJEE COc1cc(C#N)ccc1NC1CC(C)(C)CC(C)(C)C1 129879991 VRJYANGCMWLQJZ-UHFFFAOYSA-N 286.419 4.584 30 10 CJEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)s1 134711297 JDQNQVMVLUIUEE-RKDXNWHRSA-N 296.848 4.746 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccccc1)c1ccccc1C 162608182 VCLJEUNJTFNBAE-QFBILLFUSA-N 265.400 4.639 30 10 CJEE C/C=C\c1ccccc1OCC1(CS)CCCC1 211649455 AHQYAALZNSCYPE-UQCOIBPSSA-N 262.418 4.589 30 10 CJEE CCCC[C@H](CC)COc1ccccc1/C(CC)=N/O 215132229 JEVSWMAZZIADDM-DCOQFNDQSA-N 277.408 4.870 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCCOC)C1 224798334 GGPQBKIOMJGIGB-ZNMIVQPWSA-N 283.481 4.501 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1cc(Cl)ccc1F 231106913 XMNLHPXFVKCTHD-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCC[C@H](NCCC)c1ncccc1Cl 233124939 MTYOIUVNTVTZMZ-HNNXBMFYSA-N 280.843 4.912 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(C)cc1OC 233544433 XJLJHNNWRSGTAS-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE N#C[C@@]1(Cc2c(Cl)cccc2Cl)C[C@H]2CC[C@H]1C2 252804698 AXEIDFCWNCLRHF-PGUXBMHVSA-N 280.198 4.866 30 10 CJEE CC(=NNc1nc(-c2ccccc2)cs1)C(C)(C)C 254480132 GMHFXFYKFCIZTK-UHFFFAOYSA-N 273.405 4.644 30 10 CJEE COc1ccc(CCCC#N)cc1C1CCCCC1 260864749 POWZJLULELAXIS-UHFFFAOYSA-N 257.377 4.589 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1C[C@H]1c1ccccc1 300127508 AJUAKWLKYYHXBY-IRXDYDNUSA-N 254.373 4.640 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cc(C)nc(C#N)c1 308275871 CETLQXKYDCJBDD-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CSc1cccc(NC(C)(C)C(C)(C)C)c1C#N 311227699 RQVMYKHITYZNQS-UHFFFAOYSA-N 262.422 4.517 30 10 CJEE CC[C@H](C)[C@@H](C(=O)CC#CC(C)(C)C)c1ccccc1 312224976 HBJOJKGKHMCJEN-MAUKXSAKSA-N 270.416 4.825 30 10 CJEE CC1(CNc2cccc(CC#N)c2)CCCCCC1 313437637 NRHSXUASQKGWME-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCC(C)(C)C1=O)C1CCCCC1 313546593 OGCQSGUJHNRNIH-RDTXWAMCSA-N 275.436 4.882 30 10 CJEE CC1CCC(C2(C=O)CCC(C(C)C)CC2)CC1 317353713 UAQJJJKLOLLQCU-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE CC1(C)CCC(C=O)(CCSC(C)(C)C)CC1 317581485 NEWQYKOJIMUCIV-UHFFFAOYSA-N 256.455 4.694 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCCC(F)(F)C2)CC1 317587195 NZEKEXRTSHAVPM-SHARSMKWSA-N 272.379 4.988 30 10 CJEE CC#CCC1(CNC(C)C)CCC(C(C)(C)C)CC1 318136570 XYNVKRGXXVXLGC-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CC[C@@H](C)C1 319214699 MFOGJGMAKAZXMX-MSOLQXFVSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](N)[C@@H]1C 381539346 CRIBGPGBCLEQCY-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](C)CC1 382751445 GNOSIGGLUNKOQD-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCCOc1ccccc1 384888540 SRJLJHUAIJAKGU-NVXWUHKLSA-N 257.377 4.566 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cc(C)cs1 385998038 RADGQRWUOBHQDW-CQSZACIVSA-N 263.450 4.537 30 10 CJEE C=CC[C@@H](CC)N[C@H]1c2cc(Cl)ccc2CC1(C)C 393783686 VLRUOFILZMKVMM-ZBFHGGJFSA-N 277.839 4.908 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(C(C)(C)C)cc1 393798589 KHVKPFUECZSELI-RHSMWYFYSA-N 259.437 4.989 30 10 CJEE N#C[C@H](CNc1c(Cl)cc(Cl)cc1Cl)C1CC1 397442249 GGTGIFGIDDYXFP-MRVPVSSYSA-N 289.593 4.608 30 10 CJEE CC(C)(C)c1ccccc1NC[C@@H](C#N)C(C)(C)C 397583053 HTDXIIIEUIOPBD-CYBMUJFWSA-N 258.409 4.582 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1cccc(Br)c1 398138927 YTCLAEDPHMEQHJ-QWHCGFSZSA-N 296.252 4.845 30 10 CJEE C[C@H](n1nc(-c2ccccc2)c(C#N)c1Cl)C(C)(C)C 400060098 HONHJPBNVAZBEO-NSHDSACASA-N 287.794 4.682 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCc2ncc(C)cc2C)C1 401056169 RUUADBWJBDANCS-FUHWJXTLSA-N 270.420 4.741 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)Nc1cccc(Cl)c1 401730438 CMEXJZLAXFIWHC-KCXAZCMYSA-N 276.811 4.860 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(C)cc1 686681921 GMHAAOQQMYLTHV-GOSISDBHSA-N 257.421 4.619 30 10 CJEE C[C@@H]1CCCCC[C@H]1/N=C1/NC2(CCCCC2)CCS1 687318158 MQKULXHHWOLJTN-HUUCEWRRSA-N 294.508 4.741 30 10 CJEE CCCCCCCCCCNc1ncc(C#N)cc1C 690374777 MRFGTAPYLXATCF-UHFFFAOYSA-N 273.424 4.814 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C#N)C[C@H]2CC[C@H]1C2 691080716 WGNPAGPMCKKMEH-OBJOEFQTSA-N 255.352 4.778 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(F)ccc1Cl 692238978 ICNWCIBJZVEGMV-BLLLJJGKSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC(C(C)C)C(C)C 692255517 SVGAFZBZQOAIHL-NVXWUHKLSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@@H](CC)C1 692275923 RIODTUSEQUPCIS-XDNAFOTISA-N 263.469 4.927 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2ccc(C)s2)C1 693854941 IPLARZDJPZIUSH-INMHGKMJSA-N 290.476 4.597 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(Cl)ccc1N 695684014 ALXAHFUVDBZZDG-OAHLLOKOSA-N 269.816 4.706 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@H](C)CCN 696195721 HNVFSBCLUGENLE-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE C=C(C)CCNc1cc(Cl)c(Br)cc1F 703799843 DQCMWRHLBTZLJS-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE O=C(CC1(c2ccccc2)CC1)C1=CCCCCC1 703814855 QJFJSMSHXFWECV-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE CC(C)CCCCOC[C@H](CS)c1ccccc1 705863335 KCXYVMQFVBYKQE-MRXNPFEDSA-N 266.450 4.543 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](C)CC(C)(C)C 709135444 WRRJHYHFIAUWEB-CABCVRRESA-N 256.478 4.641 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCC[C@H](C(F)(F)F)C1 710614066 KLRGJZIQXSJSIH-AVGNSLFASA-N 297.792 4.866 30 10 CJEE C=C(C)CC(=O)c1ccc(Cl)cc1C(F)(F)F 712540250 LHJUPNIRLOKFKU-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE CCCCCCCCCNCC[C@@H]1C[C@@H]1C1CC1 712683071 VQLASBLOSFSPMX-IAGOWNOFSA-N 251.458 4.763 30 10 CJEE C=CC[C@@H](C)Nc1c(Cl)cc(F)cc1Br 715037505 DHCPKRZGCBNXLL-SSDOTTSWSA-N 292.579 4.618 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C1(OCC)CCC(C)CC1 715751842 FHBVHVUQQVPHMZ-UMQBVGHOSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1C[C@@H](C)CO1 718514279 XPIQRLSZJIEELJ-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(OC)CCSC1 719557107 JGGQXAUUXPSDIB-MRXNPFEDSA-N 286.481 4.608 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc3cc(C)ccc3o2)CC1 724560638 YCSWOPJIIBHQLJ-MRXNPFEDSA-N 270.372 4.911 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cocc2C)CC1 724610098 AXUGNXKPCRXDJM-KRWDZBQOSA-N 261.409 4.765 30 10 CJEE C=CCSc1ccccc1C(=O)Oc1ccc(C)cc1C 1124209740 WULUQNACCPIMAO-UHFFFAOYSA-N 298.407 4.801 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C 1127429151 BXOCEOIBUVXRGQ-CBKFMIPGSA-N 291.479 4.866 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 1130872832 MDOXKHQPMPICLW-AWEZNQCLSA-N 285.309 4.555 30 10 CJEE C=CCN(C(=O)CCc1ccc2ccccc2c1)C(C)(C)C 1131104749 PEHSHWWBOLTIAQ-UHFFFAOYSA-N 295.426 4.586 30 10 CJEE C=C(CC)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 1167233307 HNTFRTZLOMCIQI-GFCCVEGCSA-N 271.326 4.664 30 10 CJEE C=CCCCN(CC)Cc1c(Cl)ccc2cccnc12 1176797717 DYJNPXAQRDSCAA-UHFFFAOYSA-N 288.822 4.676 30 10 CJEE C=CCC1(CNC[C@@]2(C)C[C@@H]2c2ccccc2)CCCC1 1181752480 IVLNWRQBXYTVIS-RTBURBONSA-N 283.459 4.906 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H](c1ccccn1)C1CCC1 1182961212 WSDRZGGSYDUYIU-SJLPKXTDSA-N 272.436 4.647 30 10 CJEE Cc1ccc(C[C@H](C#N)SCc2cc(C)cc(C)c2)cc1 1188914591 BAKSAWJQIXGWAP-LJQANCHMSA-N 295.451 4.980 30 10 CJEE C=CCCCC[C@@H](C)NCc1oc2ccccc2c1OC 1205453540 JDHIIQDXFBYKOT-CQSZACIVSA-N 287.403 4.666 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)Cc1cccc(C)c1 1207448630 LLYZCDCZCSHKNR-MRXNPFEDSA-N 259.437 4.508 30 10 CJEE C=CCCCCCSc1nc2ccc(OCC)cc2[nH]1 1307258880 HZQCZPYUBGMWRH-UHFFFAOYSA-N 290.432 4.800 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C=CCC[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 385815756 LWMQQSYBNWMKPJ-LLVKDONJSA-N 298.226 4.724 30 10 CJEE C[C@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H](CC#N)O1 386154647 PMKHOIDKDQGTFG-BXUZGUMPSA-N 284.186 4.691 30 10 CJEE SC/C=C\CSc1cc(Cl)cc(Cl)c1 388699114 NEDIVMLQOKXYAZ-UPHRSURJSA-N 265.230 4.572 30 10 CJEE CCCCCCCCOCc1ccsc1CNCC 393142132 DMJSSQOYMNGXOV-UHFFFAOYSA-N 283.481 4.735 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@@H](OCC)C1(C)C 393239592 GRASDRLOWNJVIK-YESZJQIVSA-N 283.500 4.776 30 10 CJEE CCc1csc(S[C@@H]2C[C@H](CC)CC[C@H]2C#N)n1 394869303 WYMGSVDELJJAOL-NTZNESFSSA-N 280.462 4.516 30 10 CJEE C=CC[C@H](CNC(C)(C)C)Cc1cccc(Cl)c1F 395302532 KYMFZTJJVXJILS-LBPRGKRZSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(F)c1C 399089483 WECCLPNFJOYWGZ-INIZCTEOSA-N 252.373 4.918 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@@H](CC)CC(F)(F)F 402557138 JRVQBBSNIZTCPO-KGLIPLIRSA-N 279.390 4.793 30 10 CJEE C=CCCCN(C)C(=O)c1sccc1-c1ccc(C)cc1 605644974 CBIIDSOWWRLJEG-UHFFFAOYSA-N 299.439 4.762 30 10 CJEE CC(C)[C@](C)(O)CC1(C#N)CC(C)(C)CC(C)(C)C1 688308356 NUVIXBOSKQXKFA-MRXNPFEDSA-N 265.441 4.530 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(C2CCC2)cc1 690112622 HEJQAJPQPVJIFM-WMZOPIPTSA-N 268.404 4.838 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2CCCOC2)CC1 690503570 FEWTYOFDEKGRSG-UQPPLGOBSA-N 263.425 4.549 30 10 CJEE CCc1ccc(NC[C@H](C#N)C(C)(C)C)cc1Cl 691195412 BZTRJUDIINPEHA-LBPRGKRZSA-N 264.800 4.500 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(C(=O)O)cc1 694110041 NWGYLYCYKVGGGX-MRXNPFEDSA-N 278.392 4.559 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1C1CC1 696142787 IDJHRAHJTPQLDN-LSDHHAIUSA-N 274.795 4.592 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cnc(Cl)n1C 696448136 JGUAUMKQRVMYFR-AWEZNQCLSA-N 299.890 4.865 30 10 CJEE CCC[C@@H](CS)CN(C)[C@H]1CCCC(C)(C)CC1 697827872 KCYWPZKJPCTGOT-CABCVRRESA-N 271.514 4.623 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCc2sc(Cl)cc21 701911127 KOULCGNGYDFUCC-NSHDSACASA-N 269.841 4.581 30 10 CJEE CCCCCCCN[C@@H]1C[C@H](OCC)C12CCCCC2 703724627 WTWQQXRYXBXBHJ-SJORKVTESA-N 281.484 4.674 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CC[C@@H]2CCC[C@H]21 708043910 YJKQBTWLZOGYGH-GVDBMIGSSA-N 295.536 4.767 30 10 CJEE SCC1(CN2CCC[C@H](C3CCCCC3)C2)CCCC1 708235886 KTNFMINSGCHWNB-KRWDZBQOSA-N 295.536 4.769 30 10 CJEE C=C(CC)C[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712538811 QGUOYYIMSDQFTI-LBPRGKRZSA-N 278.701 4.749 30 10 CJEE N#C[C@]1(CC[C@H]2C[C@@H]2C2CC2)CCCc2ccccc21 714896683 QPXDSPWDVGFAOV-YQVWRLOYSA-N 265.400 4.611 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1CCC2(CCC2)O1 716873073 NYXNHHZCUGZSQS-HZPDHXFCSA-N 267.457 4.556 30 10 CJEE C=C([C@@H](NCCC)c1cscc1C(F)F)C(F)(F)F 717242411 ODZDTKJLAHXNJQ-SNVBAGLBSA-N 299.308 4.845 30 10 CJEE C=CC[C@@H](C)C(C)=NNc1ccc(C#N)cc1C(F)(F)F 799492143 MRYRGEKEIYXPTG-SNVBAGLBSA-N 295.308 4.577 30 10 CJEE C=CC[C@@H](CC)NC(=O)C1(c2ccccc2C)CCCCC1 1128426469 XQEKTLJKCSUQSM-QGZVFWFLSA-N 299.458 4.668 30 10 CJEE C=C[C@@H](OC(=O)CC1(C=C)CCCCC1)c1ccccc1 1130934111 DERYHPGQTCGJFF-QGZVFWFLSA-N 284.399 4.984 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 1135509437 STNVGUJEYLJASX-DLBZAZTESA-N 289.463 4.552 30 10 CJEE C=CCCCN(CC)[C@H](C)c1ccc(Br)cc1 1176797742 FJCQZDHYARVZKQ-CYBMUJFWSA-N 296.252 4.798 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OC(C)C)cc1 1179142852 OFLURVOXNIWKKW-MJGOQNOKSA-N 287.447 4.698 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1182370144 SNEPIZICMNAWTF-YSVLISHTSA-N 277.839 4.920 30 10 CJEE C=CCCc1ccccc1NC(=O)C1CC(C(C)(C)C)C1 1270145534 YXMIQHUMYVGCSP-UHFFFAOYSA-N 285.431 4.816 30 10 CJEE C=CCCCCN1CCCSc2cc(Cl)ccc21 1308003267 VBFFVXRPYIBRLF-UHFFFAOYSA-N 281.852 4.999 30 10 CJEE C=CCC(C)(C)CNC/C=C/c1cc(C)c(C)cc1C 1308415852 IUCTYOZYTQRPAH-CMDGGOBGSA-N 271.448 4.817 30 10 CJEE C=CCC[C@H](C)NC[C@@H]1CCC[C@@H]1c1ccccc1 1308785451 CWADNABHIJYTGR-RYQLBKOJSA-N 257.421 4.515 30 10 CJEE C=CCC[C@H](CCC)Nc1cncc(Cl)c1C 1308792422 XHJZFKAZLUVVJO-LBPRGKRZSA-N 252.789 4.590 30 10 CJEE CC(CCC1CCCC1)=NNc1ccc(C(C)(C)C)nn1 1323102587 WIBHTPMCFBYXKN-UHFFFAOYSA-N 288.439 4.532 30 10 CJEE C=CCC1(C(=O)NC[C@H](CC)c2ccccc2)CCCCC1 1357314395 QKHWTEMNVJWEAN-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C#CCCCCCC(=O)OCc1csc2ccccc12 1436562327 FHJOQKUUILKWAI-UHFFFAOYSA-N 286.396 4.528 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C)cc1C 1459346798 WPGQBVZJHWZDII-UHFFFAOYSA-N 295.426 4.500 30 10 CJEE C=CCCCCCN1CCN(C(C)(C)CC(C)(C)C)CC1 1460105910 MUNLFFVQRXEPPG-UHFFFAOYSA-N 294.527 4.565 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)CC1CC1)c1ccccc1 1474685762 ASTJNUFHBDCGMD-MAUKXSAKSA-N 257.421 4.862 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@@H](C)CCC1CC1)c1ccccc1 1518517567 RYOKRMWLTNWZLZ-QFBILLFUSA-N 299.458 4.821 30 10 CJEE C=CC(C)(C)CCCNC(=O)C(C)(C)CCCCC 1537466946 QIQGMLDVHXLTTA-UHFFFAOYSA-N 267.457 4.702 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(CC)cc1 1538891067 CMIVAZAAQRWICO-APWZRJJASA-N 299.458 4.700 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C=C/c1ccc(Cl)s1 1543938290 VQYORSVMGKKRIC-VQHVLOKHSA-N 297.851 4.523 30 10 CJEE C=Cc1ccc(CCNC(=O)CC2(C=C)CCCCC2)cc1 1544104253 KHCPPODANWXCOC-UHFFFAOYSA-N 297.442 4.515 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(F)c(F)c2)CCCC1(C)C 1559797506 SDRXFNTYOKTGHD-INIZCTEOSA-N 279.374 4.532 30 10 CJEE C=C(C)CCN1CCC(Cc2ccc(C)c(C)c2)CC1 1559883566 STTNSNCCKCJMJY-UHFFFAOYSA-N 271.448 4.524 30 10 CJEE C=CCC1(NCC#Cc2cccc(Cl)c2)CCCCC1 1560070006 KSCVLLODQJPFGT-UHFFFAOYSA-N 287.834 4.560 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F 1560979808 RWGHMPSFDCVHPE-RRFJBIMHSA-N 289.385 4.998 30 10 CJEE C=CCn1ncc2ccc(N[C@H](CCC)C3CCCC3)cc21 1561028170 BNGGQDOPINUIHB-GOSISDBHSA-N 297.446 4.993 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@@H](C)CCCC)c1 1563364160 QWHJMJCOPNLBTB-AWEZNQCLSA-N 274.408 4.762 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@@H](C)C1CCCCC1 1615332560 RYUHIJQBLSUYKV-QGZVFWFLSA-N 296.458 4.763 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C 1621511215 UCSZZUFPJHIYKQ-HUUCEWRRSA-N 281.484 4.551 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(C(C)(C)CC)cc1 1642927341 ZCAXAARQFUDYRZ-GOSISDBHSA-N 271.448 4.915 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(OC)c2ccccc12 1652920426 BOAWSTKRUXOWOT-CYBMUJFWSA-N 255.361 4.615 30 10 CJEE C=CCC[C@@H](CCC)NCCC1(c2ccccc2)CC1 1653122545 KKTMEMSOIPLJTC-GOSISDBHSA-N 271.448 4.833 30 10 CJEE C=C(CC)CN[C@H](c1oc2ccccc2c1C)C(C)C 1653968100 OCFJKHJKKXOZLM-KRWDZBQOSA-N 271.404 4.994 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@H](C(C)C)C2)cc1 1657349277 KBFJRBAYFINTFF-ROUUACIJSA-N 287.447 4.556 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 1658875715 RCYOTSPZQCRFBA-RBUKOAKNSA-N 298.474 4.752 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)c1nccn1-c1ccccc1 1659946229 FSWLPFJRQWFFAG-IRXDYDNUSA-N 297.446 4.658 30 10 CJEE N#CCc1cccc(F)c1-c1ccc(C(F)(F)F)cc1 1848368643 MTRMBUPWIPSUJJ-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE N#CCc1ncccc1-c1c(Cl)ccc(Cl)c1Cl 1848375161 PKNGKAWLMREJIL-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCC[C@H]1CCCCC[C@@H]1CNCC(C)C 1879645758 YXGBTKHFRXVXEO-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CC#CCCCN(C1CCCCC1)C1CCCCC1 1879654019 RRNKZERCNWUHLX-UHFFFAOYSA-N 261.453 4.757 30 10 CJEE CCCCCCCCN(CC)Cc1cccc(C)n1 1883314289 RMRFCIRNNIGLFZ-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE CC#CCCCC[C@@H](NC)C1CC2(CCCCC2)C1 1885228039 LCMWFLNBNQWGNR-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE C=C1CC(CCC[C@H]2CC2(F)F)(CNC(C)(C)C)C1 1885586076 GQEFWABAWFEGKY-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE C#CC[C@H](C[C@H](NCCC)c1csc(Cl)c1)C1CC1 1887491254 ZRIWQDXLLMNRBN-HIFRSBDPSA-N 295.879 4.882 30 10 CJEE C=C[C@@H](N[C@H](C)c1cc2ccccc2s1)C1CCC1 1892933498 JDWZWGBUWANKFI-IUODEOHRSA-N 271.429 4.907 30 10 CJEE CC1(C)OB(C=C2CCC[C@H]3CCCC[C@H]23)OC1(C)C 1900290087 JOBWMRGCOBKKJC-HIFRSBDPSA-N 276.229 4.535 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC1(CC)CC 1915012155 LXBIMEPJNWFJPL-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCCCCC)NC 1920829583 QPEGNTVSURDFLE-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE C[C@H]1CC[C@@H](C2CCC2)CN1c1ccc(Cl)cc1C#N 1924152088 KMZYJEVUCJIMSX-GXTWGEPZSA-N 288.822 4.617 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)ccc1Cl 1925533685 JFLXHTIAYNWGRQ-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C#CC(C)(C)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1951949535 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JZXJMSKPRZBTNQ-AWEZNQCLSA-N 272.219 4.914 30 10 CJEE C=CCCCCCCCC[C@H](O)CSC(C)C 2026310493 QFNVFUULFMZRDK-HNNXBMFYSA-N 258.471 4.796 30 10 CJEE Cc1ccoc1CSC[C@@H](C#N)C1CCCCC1 2028941948 MTDATLLGRYGALF-CQSZACIVSA-N 263.406 4.541 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](C)CCC(C)C 2029830931 PLRPYWLIPVRNMV-CVEARBPZSA-N 256.478 4.641 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC2CC(F)C2)CC1 2031637242 SPPYFFSAXMDTDN-UHFFFAOYSA-N 254.389 4.546 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1[C@@H](C)C1(F)F 2036074496 NRJZRILYWGTWPP-HZSPNIEDSA-N 261.400 4.616 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCC[C@@H](C)CC1 2039370413 PTENYYOLWWCUGD-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@H](CC1CCCCC1)NCCC 2040522183 LZMRCGGSGFYHIZ-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H](CSc1cccc(Cl)c1)NC 2040528331 CCRZYCLKSZAUAN-SWLSCSKDSA-N 283.868 4.622 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1[C@H]2CC[C@H]21 2041997634 QBMZUXXKRYVFJZ-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE CCCC[C@](C#N)(CC)c1ncc(C(F)(F)F)s1 2046000874 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274.351 4.793 30 10 CJEE C=CCCCCc1cc(F)ccc1[C@H](C)NCCC 2231738261 KXOJEYVECYWMSY-AWEZNQCLSA-N 263.400 4.785 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCO[C@@H]1CC 2231927635 GKQJDVJYYVOLJW-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=C(C)C[C@H](NCCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233652586 MFUPCDSSVZHDBN-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CCCC#C[C@H](NCCC)C1(C(F)(F)F)CCCCC1 2233782875 QSYDNEJOTVBTJZ-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ccc(N)cc1 2235519583 REOICFZSKJSMNT-GOSISDBHSA-N 274.452 4.836 30 10 CJEE C=CCCCCCCCC(=O)[C@@](O)(CC)c1ccsc1 2235532779 NUWTXULBBGTAFG-QGZVFWFLSA-N 294.460 4.832 30 10 CJEE C#CC[C@H](CN(C)[C@H]1CCC[C@H](C(C)(C)C)C1)C1CC1 2238163817 WGEZGEUJCRVORH-SQNIBIBYSA-N 275.480 4.573 30 10 CJEE C#CCC1(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 2238881080 QKPYSJVHOPWXIV-KZNAEPCWSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCCOC[C@@H]1CC[C@H](CC)CN1 2239480800 FTWKTSXYBUBOOK-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOC[C@H](N)c1scnc1C 2239491825 FEXYTUVKSDLMDC-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCCCCCCOc1nccc(C)c1N 2239553713 CMRQBTJISNZDMJ-UHFFFAOYSA-N 278.440 4.882 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(N)C#Cc2ccc(Cl)cc2)C1 2239566718 MOVDOXKWUVQBKH-QAPCUYQASA-N 289.850 4.625 30 10 CJEE C=CC1(CC(=O)[C@@](C)(O)CCCCCCCC)CCC1 2240637044 DVXDVQAVMYTWLC-KRWDZBQOSA-N 280.452 4.804 30 10 CJEE CC=C(CC)[C@@H](NCC)[C@](C)(O)CCCCCCCC 2240654977 XDCVTUKAWZVXNL-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](NCC)C(C)(C)CC 2240666760 PQXRXAGYXWERKZ-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1ccc(C)cc1F 2241471776 MPZGPAIGFSTKGR-UHFFFAOYSA-N 283.390 4.712 30 10 CJEE C=C(C)CCCCSc1cc(Cl)ccc1N 2244657097 UCOMFJQKTPQAMP-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE CCCCCCSc1cc(Br)ccc1C#N 2246082549 IGAVHJKFAFZLJZ-UHFFFAOYSA-N 298.249 4.993 30 10 CJEE Brc1cccc(C#CC[C@@H]2C=CCCC2)c1 2246280626 AYHIXNQODJUYRB-CYBMUJFWSA-N 275.189 4.547 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(F)c(Cl)c1 2248459715 ALRMULCAQMVCJK-UHFFFAOYSA-N 250.744 4.627 30 10 CJEE C=C(C)CCCC[C@@H]1[C@H](C)CCC[C@H]1NCCC 2259213524 VOKQFWFPGIBXOL-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C#CCCCCCNCC[C@H](C)CCCC(C)C 2259638746 MSUAHUGDEBPGBW-QGZVFWFLSA-N 251.458 4.622 30 10 CJEE C=CCCCCC[C@@H]1[C@H](O)C(C)(C)CCC1(C)C 2261439118 RIMFGLIEYPYVLV-CABCVRRESA-N 252.442 4.946 30 10 CJEE C=CCCCCCCC=C1CN[C@@H]2CCCC[C@@H]2C1 2264836336 PDROPFHFLXRCCF-QZTJIDSGSA-N 261.453 4.992 30 10 CJEE N#C[C@@]1(C[C@H]2CC(F)(F)C23CCC3)CCCC12CC2 2266270673 QPCZUKLWWUNZPI-JSGCOSHPSA-N 265.347 4.676 30 10 CJEE CCCC[C@H](C)CC[C@H](O)CC=CC#CC(C)(C)C 2268833462 OXLGGLJUCIFYFX-DLBZAZTESA-N 264.453 4.950 30 10 CJEE C=CC[C@](C)(Nc1nc(C)cc2sccc12)C(F)F 2270630166 WMOSPQRYQVXBQW-AWEZNQCLSA-N 282.359 4.617 30 10 CJEE C=C(C)CCCCN(C)Cc1cccc2ccoc12 2271768431 VDWYBUSTHJTSLG-UHFFFAOYSA-N 257.377 4.611 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@]1(CC)CC1(F)F 2271781944 SQLQWUUOUNLVBD-CABCVRRESA-N 273.411 4.927 30 10 CJEE C#CC1(NCC[C@@H](C)CCCC(C)C)CC(C)(C)C1 2272603182 PXNOFZLLFVCTTP-INIZCTEOSA-N 263.469 4.621 30 10 CJEE N#Cc1c(Cl)cccc1OC[C@@]12CCCC[C@H]1CC2 2273427610 XPELLIQJFZNBRH-LRDDRELGSA-N 275.779 4.561 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](CC)CCC 2274109569 CYEWYVAKUATPEC-ROUUACIJSA-N 263.469 4.765 30 10 CJEE CC(C)(C)c1cccc(C2(C#N)CC3(CCC3)C2)c1 2274438236 KZHUYEVAHASEOX-UHFFFAOYSA-N 253.389 4.710 30 10 CJEE CCCCCCC[C@@H](OCCCN)C1=CCCCC1 2276450198 WAWUCQAPOFLHTD-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc2scnc2c1 2278623091 BXCMBKNVOGDDSR-CQSZACIVSA-N 274.433 4.693 30 10 CJEE C#CCCCCC[C@@H](NCC)C1(C)CC(C(F)(F)F)C1 2279200515 ZBJLYCRNXLDNMU-SHARSMKWSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCCC12CC2)NN 2279614970 SBFDMWKYEABAAX-IRXDYDNUSA-N 280.500 4.929 30 10 CJEE C=CCOc1ccc(C(=O)CCCC[C@@H]2C[C@H]2C)cc1 2280464902 DUKCFLARYGUYQD-GDBMZVCRSA-N 272.388 4.651 30 10 CJEE Cc1cc(N[C@@H](c2cccs2)C2CC2)cc(C)c1C#N 2280562276 PWOTYOWVRXIWHX-QGZVFWFLSA-N 282.412 4.800 30 10 CJEE C=CCCCCCCC[C@H](NCC)C1(OC)CC(C)C1 2281081146 KBXZTDYUBIPYCA-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCOc1cc(C)cc(F)c1CO 2283541785 SQWMHAGCRKBWBY-UHFFFAOYSA-N 282.399 4.756 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cccc2ccsc12 2284177621 JNLCGVFPTITYGI-INIZCTEOSA-N 284.424 4.931 30 10 CJEE Cc1cc(F)ccc1[C@@H](C)Nc1ccc(C#N)c(Cl)c1 2285229152 VVWTTYZOKHDORE-LLVKDONJSA-N 288.753 4.832 30 10 CJEE C=CCC[C@]1(C)C[C@H](NCC)c2cc(Cl)c(C)cc2O1 2286477121 CKHAOKNPKCVELA-DOTOQJQBSA-N 293.838 4.806 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(CCC)cnn1 2288601108 RDVDXDYNZZCYRJ-INIZCTEOSA-N 277.456 4.570 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@H]1CCS[C@@H](C)C(C)C 2288858793 QLMKSACSEATZIR-ULQDDVLXSA-N 296.524 4.606 30 10 CJEE CCCCCCCCCO[C@@H]1CCN[C@@H](C(C)(C)C)C1 2289315637 KFTGFQBSRVMTRZ-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2289844364 GITGFRRSJCQIKP-FGTMMUONSA-N 272.432 4.746 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CCC12CCC2 2289900423 CWSCIZUWJRQQEN-LJQANCHMSA-N 273.464 4.520 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)C1=CCCC1 2291204918 RPVXZTNNCDGFPO-INIZCTEOSA-N 282.424 4.707 30 10 CJEE C=C(C)CCCC[C@](C)(CC1CCC1)OCCC(=O)O 2291757813 YTIJZDNZXRVVJL-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)C1(C(C)C)CC1 2291771000 KDLZUVBQDJAZED-OAHLLOKOSA-N 284.440 4.643 30 10 CJEE CC=C(CC)[C@](C)(CCCCCCCC)OCC(=O)O 2292340888 YUEAZYYQCNWFAF-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1ccccc1C 2292804882 SGVWVPVLROYMPY-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CC(C)(C)CC[C@H]1C 2293364513 UISPUBULQSDYCS-KDOFPFPSSA-N 281.484 4.539 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H]1CC1(F)F 2293504800 NTFHPRFRIYELED-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCC[C@H](CC)CS[C@@H](C)C[C@@](C)(C#N)NCCC 2295712160 VCJDONAONZWFCJ-ULQDDVLXSA-N 298.540 4.996 30 10 CJEE C=CCC(CC=C)NCc1cc2sccc2s1 2298819580 QHIZOGOKBUIJNJ-UHFFFAOYSA-N 263.431 4.573 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(CCC)s1 2304042471 WQLIBACKIFNDJV-CQSZACIVSA-N 251.439 4.563 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1sccc1CC 2304047780 DWYBFRCPEGJMMK-GJZGRUSLSA-N 251.439 4.563 30 10 CJEE CC(C)CC(CC(C)C)Oc1nc(Cl)c(C#N)s1 2313614100 CWLRUGRVWKHSLN-UHFFFAOYSA-N 286.828 4.508 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(F)c(Cl)c1 2321132104 WPXMALMKDGTKNW-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc2cc(Cl)ccc2o1 2321145189 NTTRREYMKVYXPX-BMIGLBTASA-N 263.768 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CCCC2(CC2)C1 2321237349 LXIOOBNQGZKZEC-OAGGEKHMSA-N 250.426 4.700 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cccc(Cl)c1Cl 2337503965 XYSFSUMJBMBRPP-HNNXBMFYSA-N 296.241 4.838 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC[C@H]1CNCC(C)C 2338667741 SVBOXKYRNDIFPQ-ZWKOTPCHSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)C(=O)c1cc(C)c(OC)c(Cl)c1 2338733856 WMEXVKOFAYHPBF-UHFFFAOYSA-N 278.779 4.608 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C(F)(F)C1CCCCC1 2338747668 SCJXXKOUVNCMNO-OAHLLOKOSA-N 271.395 4.558 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1COCC1(C)C 2338964175 ADFOCXQLSMKQOI-HZPDHXFCSA-N 270.457 4.551 30 10 CJEE C=CCCC(C)(C)CNC[C@@H]1C[C@H]2CCC[C@H]1CC2 2339090211 UFGHFDYECAQTBT-ULQDDVLXSA-N 263.469 4.785 30 10 CJEE C=C(C)CN(CC(C)(C)Cc1ccccc1)C(C)C 2339499275 GJIXPKXEMFJNFP-UHFFFAOYSA-N 259.437 4.542 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1sc2ccccc2c1C 2341883574 JGVMWWRPILBVRF-HOCLYGCPSA-N 271.429 4.827 30 10 CJEE C=C(C)C[C@H](C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCC 2341928500 IKTSKEMUWRBVCF-MWDXBVQZSA-N 263.469 4.783 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)c1cccc(C(C)C)c1 2343602797 DZMHUQUCJDSGPZ-YJBOKZPZSA-N 257.421 4.510 30 10 CJEE Cc1sccc1Oc1ccc(C(F)(F)F)cc1C#N 2352240046 APYDPUBWFNLMPP-UHFFFAOYSA-N 283.274 4.739 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CC[C@@H]3C[C@@H]32)NCCC)CC1 2353928794 XALBDHJQPOOWOX-NCXUSEDFSA-N 275.480 4.927 30 10 CJEE N#C[C@@]1(C[C@@]23CCCC[C@@H]2C3)CCc2ccccc2C1 2357381119 ODFJMOACWANVIF-QYZOEREBSA-N 265.400 4.656 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359121558 VAEUYMQFXWFJMZ-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@]23C[C@H](CO2)C3(C)C)CC1 2359777133 ORISWLOFVYWYKD-JLSDUUJJSA-N 275.436 4.692 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1CC[C@@H]2C[C@@H]21)OCCN 2360050113 IBEIAXKSGGQKLT-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE CCc1cc(-c2ccccc2)c(C#N)n1Cc1ccccc1 5341458 WAHLYAVIJLVYAM-UHFFFAOYSA-N 286.378 4.637 30 10 CJEE Cc1ccc(C2CC(Nc3ccc(C#N)c(Cl)c3)C2)cc1 36846127 IWRXDVSTMHDMBP-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(C#N)c(Cl)c2)c(C)n1 37253454 CAJZEEHDFXHZAN-ZDUSSCGKSA-N 299.805 4.705 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 54185542 OXCXNXXRTHUOPM-UHIISALHSA-N 265.809 4.760 30 10 CJEE N#C[C@H](CCCOc1cccc(Cl)c1)c1ccccc1 57684494 RUFASLXXXHXIQY-HNNXBMFYSA-N 285.774 4.806 30 10 CJEE Cc1cccc(C)c1OCC[C@@H](C#N)c1ccc(F)cc1 57685714 LPPJRNKHXRKAIY-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCCCCCC[C@@H](N)c1cc(OC)c(OC)cc1Cl 59211491 IKPCDVIGGZXSHU-CQSZACIVSA-N 299.842 4.718 30 10 CJEE CCCCCCCCNc1ccc(Cl)c(C#N)c1 59431190 HORVTRSVNATPNS-UHFFFAOYSA-N 264.800 4.984 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(C)(C)C)o2)s1 77085732 DZCFPJVSTOACJA-UHFFFAOYSA-N 259.374 4.680 30 10 CJEE CC(C)c1ccc(NC[C@H](C#N)c2ccccc2)cc1 80748433 BBSVARVMAVBQEV-KRWDZBQOSA-N 264.372 4.529 30 10 CJEE CCCCCCCCCCCCN(C)CCCC(=O)O 88230970 PQMKTHZJASHBLM-UHFFFAOYSA-N 285.472 4.704 30 10 CJEE COc1cccc(SCC2(CS)CCCCC2)c1 94588828 YMFQELYQPDPQHZ-UHFFFAOYSA-N 282.474 4.668 30 10 CJEE Cc1cc(C)cc(CS[C@@H]2CCCC[C@H]2C#N)c1 94718390 LGOXYJZUWKZWMZ-JKSUJKDBSA-N 259.418 4.619 30 10 CJEE C=CCCC[C@H](CCCc1cccs1)NCCC 97219389 FYOSGYGXSVUUPN-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE CCN(c1ccc(F)cc1)c1cc(Cl)ccc1C#N 104001487 QRSBFOSIMKXHTG-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1ccc(OCC)c(C(C)C)c1 107598972 CJJVGOCQHICWOV-HUUCEWRRSA-N 258.405 4.972 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(C)cc(C)c1OCCC 107665202 QCTLWHSIOVUPQW-GDBMZVCRSA-N 258.405 4.855 30 10 CJEE CCCCCCCCC[C@H](N)CCOc1ccccc1 109716007 BFKFFKJXUQIZQV-KRWDZBQOSA-N 277.452 4.924 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OCC)c(CO)c1 109916863 PHTOPQNTWJSUAI-HNNXBMFYSA-N 293.451 4.739 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1O 110023317 BIGUYGFYPAODLV-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCCCCO[C@H](CNCCC)c1cccc(F)c1 110067824 WOIKBHJWVCODEQ-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(C)c1C 122190711 YWDRRWFIFPALJC-GOSISDBHSA-N 276.468 4.949 30 10 CJEE N#CC[C@H](Nc1c(F)cc(F)cc1Cl)c1ccccc1 124205171 VACIDUQWUQOQTC-AWEZNQCLSA-N 292.716 4.685 30 10 CJEE CC[C@@H](C1CCCCC1)n1c(S)nc2ccc(C#N)cc21 125036165 XRBVJSJBROEEPD-HNNXBMFYSA-N 299.443 4.728 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1Cc2ccccc21 126590516 WCVNILWWZDXWBL-RTBURBONSA-N 288.479 4.689 30 10 CJEE CC(C)[C@H](Nc1c(F)cc(C#N)cc1F)c1cccs1 126978001 BPIZVFHBMPUYEW-AWEZNQCLSA-N 292.354 4.707 30 10 CJEE Cc1cc(C)c(COc2cc(Cl)ccc2C#N)c(C)c1 129040035 XLCVJJUHYPMKRQ-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(C)nc1C 139448905 NNLKSVPJUSAQSC-QGZVFWFLSA-N 262.441 4.839 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(Cl)cc2C#N)C1 149828406 VNGVYLDNXMVMET-ZDUSSCGKSA-N 262.784 4.592 30 10 CJEE C[C@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)CC1 159005635 ORQQNNFPDQXENW-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE CCCCCCCCNCc1cccc2cnccc12 159163065 RMWIAOSRGUMRBN-UHFFFAOYSA-N 270.420 4.685 30 10 CJEE C=C(Cl)CN[C@H](C)c1ccc2c(c1)Cc1ccccc1-2 160995896 YHGJBTPEVZMBCC-CYBMUJFWSA-N 283.802 4.661 30 10 CJEE N#Cc1cc(F)c(SCc2ccc(Cl)cc2)c(F)c1 165989057 QOHVBQKUTIJCHE-UHFFFAOYSA-N 295.741 4.782 30 10 CJEE C=CCCC[C@H]1C[C@H](CC)CC[C@@H]1CNC(C)C 219304466 FRXFTFVDTIYFTD-IXDOHACOSA-N 251.458 4.783 30 10 CJEE Cc1cccc(C#N)c1Nc1ccccc1SC(F)F 220986061 UADXSOHFEHOVML-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE CCCCc1ccc(Nc2c(C)cccc2C#N)cc1 221005701 PXPMVODMXPIQDG-UHFFFAOYSA-N 264.372 4.953 30 10 CJEE Cc1cccc(C#N)c1NCc1ccc(C(C)C)cc1 221043087 KHONUTDPNFQBHI-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE Cc1cccc(C#N)c1Oc1ccc(C(C)C)cc1 221135859 XYVHHGKMAVHATG-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc3ccccc3[nH]2)C1 227840166 OPFJNYCXSBCNLM-KYOSRNDESA-N 270.401 4.588 30 10 CJEE CC(C)CCN(CCC(C)C)c1ccc(C#N)c(F)c1 232552825 DWOVHMOYBQHSFA-UHFFFAOYSA-N 276.399 4.596 30 10 CJEE CC(C)CCC[C@@H](C)NCCCCC(C)(C)C#N 232561764 GQBFZLZYYGFIRW-OAHLLOKOSA-N 252.446 4.511 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)nc2ccccc12 235879312 RGDCJSCYWLHYMV-SFHVURJKSA-N 269.388 4.713 30 10 CJEE C=CCCCCCC(=O)c1ccc(F)cc1Cl 236160990 CXMCAFOPTVSTBG-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=CCCCCCOc1ccc(/C=C/C(=O)O)cc1Cl 236452909 UEEJDDOZPXMVSB-CSKARUKUSA-N 294.778 4.563 30 10 CJEE CCCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1C(C)C 250831534 RMGLLZKZLJLBCY-ZWKOTPCHSA-N 296.543 4.691 30 10 CJEE C[C@H](F)c1ccc(CC(C)(C)C#N)cc1Br 260464681 WADGVVUMTMEQIL-VIFPVBQESA-N 284.172 4.572 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1scc(C)c1Cl 305898842 XUESIJGRDPKOOX-GFCCVEGCSA-N 283.868 4.800 30 10 CJEE CC(C)[C@H](Nc1ccc(C#N)c(F)c1)c1ccccc1 307921648 DWXBTIBLLYLBQM-KRWDZBQOSA-N 268.335 4.507 30 10 CJEE CC(C)(C)c1ccc(C2(C#N)CCCCCCC2)nc1 312779125 MXRDWKQFOZRUAF-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CCCC(F)(F)C2)C1 316674936 BCGFWLPTONTMGI-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCSc1ccccc1 317433771 PVUZFRKXPAQOKI-GOEBONIOSA-N 262.418 4.564 30 10 CJEE C#CCCC[C@@]1(CNCC(C)C)CCC[C@@H](CC)C1 318140549 CVPPAYUBVJZKCC-QZTJIDSGSA-N 263.469 4.622 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1ccccc1Br 319664280 GAMULWJEQSXLSE-ZWNOBZJWSA-N 298.249 4.725 30 10 CJEE CC[C@H](C)[C@@H](C)[C@@H](C#N)c1ccccc1Br 319916967 PTJWVPLTSVDTLH-DMDPSCGWSA-N 280.209 4.738 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccccc1Br 384899988 WKARQZKXXBKAIW-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE C=CC(C)(C)CN[C@H](c1ccc(Cl)cc1)C1CC1 385217459 RCPXXWOQPQSWGK-HNNXBMFYSA-N 263.812 4.593 30 10 CJEE CCCC1CCC(/N=C2/N[C@H](C3CCCC3)CS2)CC1 386078387 BLMKXYYJVBZUKR-BCLQGDPASA-N 294.508 4.597 30 10 CJEE CCCCCCCCCC[C@@](C)(O)[C@@H]1C[C@H]2CC[C@H]1O2 386574854 RTEPIQYFJREPBT-BRSBDYLESA-N 282.468 4.836 30 10 CJEE C=C(COCC)[C@@H](N)CCCCCCCCCCC 387661938 NKSIAOGPJQJABS-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1cccc2ccsc12 387708051 YKXHWNMRDUIXSN-MRXNPFEDSA-N 289.444 4.533 30 10 CJEE N#C[C@]1(CCC2CCCC2)CCc2ccccc2C1 388984865 ZVCNSNMCTBWDOH-GOSISDBHSA-N 253.389 4.656 30 10 CJEE C=CCCCCCCNCc1cc(C)cc(Cl)c1 395143388 KEHATMZSKWEKGC-UHFFFAOYSA-N 265.828 4.875 30 10 CJEE CCCCCCCCCC[C@H](N)CCN1CCCCC1 395924352 ZRGIRPDIUKGHDZ-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CSc1cccc(NC[C@@H](C#N)C2CCCCC2)c1 397143952 LHXIKDRUTKQPGJ-CQSZACIVSA-N 274.433 4.540 30 10 CJEE CC[C@@H](Oc1cccc(Cl)c1C#N)c1ccccc1 403148277 YKSHADKAMUPUCI-OAHLLOKOSA-N 271.747 4.742 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1 403424221 SKXKXTHPRRVSBI-YZMJHREJSA-N 262.437 4.988 30 10 CJEE N#Cc1ccc(CNc2ccc(Cl)cc2Cl)cc1F 404266664 WOGAPMPVGVXVPX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CC(C)c1ccc2[nH]cc(C3=CC[C@H](C#N)CC3)c2c1 527395901 FYQYXCLBGXZTGP-ZDUSSCGKSA-N 264.372 4.998 30 10 CJEE C[C@@H]1CCCC[C@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688336349 CNDNBNSTCGQLEN-RDTXWAMCSA-N 277.452 4.674 30 10 CJEE CCSc1cccc(Nc2ccc(C#N)cc2F)c1 690128823 GHLARPLQVFXYAV-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](OC)C1CCCCC1 695113606 MKGXUBIELBSKRL-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE Cc1c(N[C@H](C)CC(C)(C)C#N)cccc1C(F)(F)F 695791036 LREHOTQAQVYKSN-SNVBAGLBSA-N 284.325 4.754 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)c1ccccc1 696329658 FMHWAAYVFSKRCA-ZWKOTPCHSA-N 277.452 4.578 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CCNCC 696408074 MZGICXCTVLCDTN-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2Cl)CC1 697856341 UHYNLOWQIPIYET-BBRMVZONSA-N 290.838 4.612 30 10 CJEE CCCCCCC[C@H](Cc1ncccc1Cl)NCC 707359989 NQJQEMZZIQJSLF-CQSZACIVSA-N 282.859 4.616 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1cccc(CC#N)c1 709256595 SQOXBACBFRCCRP-QZTJIDSGSA-N 270.420 4.769 30 10 CJEE CCCCCCCCCN[C@H](C1CCC1)[C@H]1CCOC1 711837625 BECLBISEBRBRHI-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CC(C)(C)CCC/N=C1/NC2(CCCCCC2)CS1 713281242 ASQMULGNPHREEJ-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21 714275408 KBZIJJQLNZWKKS-TUKIKUTGSA-N 274.795 4.592 30 10 CJEE CCCCCCC[C@@H](NC)C1CCC(SC)CC1 720508604 FGWJYZHKDQMFOJ-UYSNPLJNSA-N 271.514 4.857 30 10 CJEE Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C#N 723623561 CGCHKFYYFLQTPQ-IIDMSEBBSA-N 268.404 4.638 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(C)c(C)s2)CC1 724549526 OKGUVRYTQDECKH-HNNXBMFYSA-N 263.450 4.762 30 10 CJEE C=C1CCC(COc2cc3ccccc3cc2O)CC1 724609722 YNWKUZVLEXQZOS-UHFFFAOYSA-N 268.356 4.671 30 10 CJEE CCc1sc2cc(CC#N)ccc2c1C(F)(F)F 725302236 BNNAZXKSCMCKGI-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE Cc1cc(C)cc(N=Cc2c(C)cc(C)cc2C)c1 1084018151 PKMWJZIEWGLSGH-UHFFFAOYSA-N 251.373 4.979 30 10 CJEE C=CC1(CC(=O)Oc2ccc(C)c(C)c2)CCCCC1 1124376433 TVUYOHPRZOOCCC-UHFFFAOYSA-N 272.388 4.735 30 10 CJEE C#CCCCCCCN1CCOc2c1cccc2C(C)(C)C 1169333856 TVNJBWSVTIFRPD-UHFFFAOYSA-N 299.458 4.767 30 10 CJEE C=C1CCN(Cc2ccc(Cl)c3ccccc23)CC1 1190848666 YDTWMXBCMYQFPZ-UHFFFAOYSA-N 271.791 4.645 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccc2c(c1)CCCC2 1193153953 FUDUBWNHXDNYOP-KRWDZBQOSA-N 283.459 4.800 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 1205981017 VMRKGENZIXIQCT-QZTJIDSGSA-N 271.448 4.590 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 1206597141 CVUJODXNFYFKEM-IDHHARJASA-N 285.431 4.603 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CCCOC1 1258228769 KITCYKSGRJATBJ-SJORKVTESA-N 269.473 4.532 30 10 CJEE C#CCCCCCCN(Cc1ccc(C)c(C)c1)C1CC1 1307490075 YHYBFJCTNSPHCE-UHFFFAOYSA-N 283.459 4.852 30 10 CJEE C#CC[C@H]1CCCN(Cc2ccc(-c3cccs3)cc2)C1 1307873988 ZANQZEZMXODWTR-INIZCTEOSA-N 295.451 4.650 30 10 CJEE C=CC[C@H](C)NC/C(C)=C/c1ccccc1C(F)(F)F 1308270743 NQTURBIJKDJZQV-XSNHNAGMSA-N 283.337 4.663 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(OC2CCCC2)cc1 1355264001 IXOPUWRLYGGCON-UHFFFAOYSA-N 287.403 4.549 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 1360778523 ARGNOWMJDADNNG-APWZRJJASA-N 285.431 4.651 30 10 CJEE C#CCCCCCCOc1ccc(C(C)C)cc1C=O 1459304507 YIUZMCIFDZHBCO-UHFFFAOYSA-N 272.388 4.585 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H]1CCC2(CCCCC2)O1 1462101010 UKDDKTXRYMGVMU-IAGOWNOFSA-N 279.468 4.593 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(/C)c1cccc(Cl)c1 1519988827 GBVPOWUNEMLNQC-FZDNWWAKSA-N 291.822 4.604 30 10 CJEE C=CCCCN(CC)C(=O)c1cc2cc(C)ccc2s1 1539023423 REMFOCSCTBKYSO-UHFFFAOYSA-N 287.428 4.638 30 10 CJEE C=CCn1c(SCc2ccccc2F)nc2ccccc21 1559316535 NWNNLURECULKLQ-UHFFFAOYSA-N 298.386 4.654 30 10 CJEE C=C(C)CCN(CCC)[C@H]1C[C@H](OCC)C12CCCCC2 1559573540 HEWLDFUPCLTJNN-ROUUACIJSA-N 293.495 4.793 30 10 CJEE C=CCC[C@@H](NCCCc1ccccc1)c1ccccc1 1559695016 NVWMEGHQLPEEQZ-HXUWFJFHSA-N 279.427 4.916 30 10 CJEE C#CCCCCCCN[C@H](c1ccccc1C)C(C)C 1559702675 YMBGETSWSSRMAR-IBGZPJMESA-N 271.448 4.865 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(SCC)c1 1560414769 KHQWOYDVWBYKRO-CQSZACIVSA-N 263.450 4.633 30 10 CJEE C=C[C@H](C(=O)Nc1ccc(C2CCC2)cc1)c1ccccc1 1568289679 UDEPGCVTZFRGIQ-IBGZPJMESA-N 291.394 4.862 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccccc1-c1ccccc1 1587424266 FJPJZHHCCKNKKQ-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE CC#CCCCC(=O)Nc1ccccc1NC1CCCCC1 1594780811 USIWBRZSDATQJU-UHFFFAOYSA-N 298.430 4.563 30 10 CJEE Fc1cccc(F)c1C#Cc1c(Cl)cccc1Cl 1614730673 DBUWCXQGNHPADK-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C[C@@H](CC)CC(=O)OCc1ccccc1CC(C)C 1626793904 AECMECPTYYEVKK-HNNXBMFYSA-N 274.404 4.531 30 10 CJEE C=CCCC(C)(C)NC(=O)NC[C@H]1CCCC[C@@H]1CCC 1636162943 IHVBNVBFYNOCDA-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1NCCC 1636256514 KEJVEHZIYDEJRX-GFCCVEGCSA-N 294.826 4.703 30 10 CJEE C=C(C)CCN1CCC[C@H]1c1ccccc1Br 1644785872 RBAZTIIGDZZUHW-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccc(Cl)cc1 1648544270 JUORQJKDDVARIT-ZDUSSCGKSA-N 251.801 4.689 30 10 CJEE C=C(C)COc1cc(Cl)c(Br)cc1Cl 1656461446 LJUBYIRXKSIMJS-UHFFFAOYSA-N 295.991 4.711 30 10 CJEE C=CCN(Cc1cncc2ccccc12)CC1CCCCC1 1657513713 LCZOKNJXAOFNED-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE C=CCCCCC[C@@H](C)NCCc1ccc(F)c(F)c1 1657789786 VZOHRFAKQMFDPY-CQSZACIVSA-N 281.390 4.622 30 10 CJEE C=CCC[C@H](CC)NCc1cc(C)n(-c2ccccc2)c1C 1659820487 WQRPBFIYERCZDH-IBGZPJMESA-N 296.458 4.929 30 10 CJEE C#C[C@@H](NCc1cccc(CCC)c1)c1ccc(Cl)cc1 1664896968 SSLMADFKNILHSN-LJQANCHMSA-N 297.829 4.757 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C)CC2)c1 1665184271 ODTVXBDPJMEGFZ-GOEBONIOSA-N 286.419 4.810 30 10 CJEE CC1(C)CCC[C@](C)(Nc2ccc(C#N)c(Cl)c2)C1 1877823892 SKFHZMWOMYQMIB-INIZCTEOSA-N 276.811 4.982 30 10 CJEE C#CCCN(CC(C)(C)C)C[C@H]1CC[C@H](CC)CC1 1877943959 HBLLGWMFZYMVAW-QAQDUYKDSA-N 263.469 4.574 30 10 CJEE CCCCCCCCCCN1CCSCC(F)(F)C1 1883821656 VLOOLCNHXDBEEX-UHFFFAOYSA-N 293.467 4.811 30 10 CJEE CCCCCCCCCCN(C)[C@@H](CCC)COC 1883835536 RWMGWGPIKZJACW-KRWDZBQOSA-N 271.489 4.874 30 10 CJEE C=C1CC(C[C@@H](N)c2cscc2OCc2ccccc2)C1 1885763619 PDEOJAGOZGDZMX-QGZVFWFLSA-N 299.439 4.683 30 10 CJEE C=C1CCC(C[C@]2(N)CCc3cc(Cl)ccc32)CC1 1886662059 FDKLAJQQEQEPKK-QGZVFWFLSA-N 275.823 4.577 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1scc(C)c1Cl)C1CC1 1887490504 VAOURXAQLSVIPF-KBPBESRZSA-N 295.879 4.800 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2csc(Cl)c2)CC1 1921088063 FXXMXUZHZOVFIU-XGTXGMFGSA-N 297.851 4.719 30 10 CJEE O=C[C@@]1(CCSC2CCCC2)CCCC12CCC2 1921625558 UGTPTYRRICYJFM-INIZCTEOSA-N 266.450 4.592 30 10 CJEE N#C[C@@]1(Cc2cccc(F)c2Cl)CCCC12CCC2 1921634206 WMVAHBKYGXUYKK-INIZCTEOSA-N 277.770 4.886 30 10 CJEE C=C([C@H](NCC)[C@](C)(O)CCCCCCC)[Si](C)(C)C 1922909543 MOCULBPFHCYQGE-DLBZAZTESA-N 299.575 4.510 30 10 CJEE CC1(C)OB(C=Cc2cc(Cl)ccc2Cl)OC1(C)C 1927747534 BERHHQIQACOPCK-UHFFFAOYSA-N 299.006 4.638 30 10 CJEE C[C@@H](N(Cc1ccccc1)c1ccccc1C#N)C(C)(C)C 1932000723 TYEWLLBENCDUKV-MRXNPFEDSA-N 292.426 4.999 30 10 CJEE CCCCCCCC[C@](C)(O)CCC(F)(F)F 1940762472 NVDMNXTVCXGZCB-LBPRGKRZSA-N 254.336 4.831 30 10 CJEE C=C1CCC(CNc2cccc(F)c2Br)CC1 1942156001 GXOGUNYSDSFPMX-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=CCCCCC[C@@](C)(N)c1ccc(Br)cc1 1948981294 PEDVLCFLRQCVDP-OAHLLOKOSA-N 296.252 4.760 30 10 CJEE C=C1CC(N[C@H](CC)c2ccc(Cl)cc2Cl)C1 1951181120 LQASPZLQFVQSSA-CQSZACIVSA-N 270.203 4.753 30 10 CJEE CCCCCCCCCCC[C@H]1[C@@H](CN)C1(F)F 1952178630 ZKYKVVJPIGROEK-UONOGXRCSA-N 261.400 4.747 30 10 CJEE C=C1C[C@@H]1CC(=O)c1c(Cl)ccc(Cl)c1Cl 1978447510 ZKARUIOHOFGJFG-SSDOTTSWSA-N 275.562 4.796 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1cnsc1 1998188907 NAWOSHPQXLNUBH-OLZOCXBDSA-N 254.443 4.543 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H](C)C(F)F 2008591743 UIPXADQUCVDYJR-TZMCWYRMSA-N 250.373 4.779 30 10 CJEE CCCCCCCCC[C@H]1CCSCC[C@@H]1O 2010805038 XBDZOSRNOHVGGL-GJZGRUSLSA-N 258.471 4.631 30 10 CJEE C=C1CC(C[C@@H](NC)c2cc(Cl)cc(Cl)c2)C1 2011086347 BDQYWWOJPCDTPT-CQSZACIVSA-N 270.203 4.610 30 10 CJEE CCCCCCCC[C@@H](O)C1(C)CCSCC1 2018465183 NTTJBZWBTAURAV-CQSZACIVSA-N 258.471 4.631 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(Cl)s2)C1 2019116194 XBVYBLSSKBXSAO-GFCCVEGCSA-N 269.841 4.580 30 10 CJEE CC(C)(C)C1CCC(C=O)(CC2(Cl)CC2)CC1 2020433520 QQZOQBKAYTWUKQ-UHFFFAOYSA-N 256.817 4.570 30 10 CJEE 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CCCCCCCCN[C@@H](C)c1ccc(OC)cc1OC 59261253 GTFISNJLZSMUBF-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE Cc1ccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)o1 59508380 LOHHITXDSBWVHF-DEDYPNTBSA-N 289.334 4.570 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2ncccc2c1 71277560 HMBFBCRIGJTVBH-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=CCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1NCCC 85157282 NNOFJFLSJHBURX-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE Cc1cccc(SC[C@H](CS)C(C)(C)C)c1 87098523 XYWQWUYCIJNSGW-LBPRGKRZSA-N 254.464 4.679 30 10 CJEE Clc1ccccc1C#Cc1cccc(Br)c1 90550166 OVJBHMMNSYIRKC-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE CCN(CC1(CS)CCCCC1)c1ccccc1C 94578699 KFDWFGVBGKPXEV-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE CCC#CC[C@H](C)c1cc(C(F)(F)F)ccc1OC 107474189 BBTYDNAREOQLHU-NSHDSACASA-N 270.294 4.621 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(Cl)cc(Cl)c1OC 107655059 DJNKHAXNOUHTGE-UWVGGRQHSA-N 271.187 4.765 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@@H](C)C(=O)O 108251975 WWZFCDITFVLHSC-QGZVFWFLSA-N 299.499 4.950 30 10 CJEE CCCCCCCCCCCC[C@H](N)CCOC 109729181 DZMVTIYGLBENRG-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCCCC[C@]1(CN)CCOC1 110194403 AIIILNSIYVYXCY-QGZVFWFLSA-N 269.473 4.663 30 10 CJEE CCCCCCCCOCCN[C@H](C)c1cccs1 110239510 YTZLXRRAEOPQHR-OAHLLOKOSA-N 283.481 4.776 30 10 CJEE CCCCCCC[C@@H](O)Cc1c(C)cc(C)cc1C 111849424 NWWOJQNCVLDMQW-QGZVFWFLSA-N 262.437 4.876 30 10 CJEE CCCCCCCCCC(=O)Cc1ccccc1OC 112883729 ULEXDGVDIFBIRZ-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(CC)s1)NN 122519745 XAIGWKUUFKPGSG-HNNXBMFYSA-N 296.524 4.826 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(Cl)c1F)NC 123950852 FFRGNLOFINFGLH-AWEZNQCLSA-N 285.834 4.970 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CSCCS1 125137485 YVANJZPFFVQUIJ-HUUCEWRRSA-N 290.538 4.727 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](CC)OCC 125541682 OVMAKZKTTDURBC-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@H](CCCCCCC)NN 130069681 FYWHSANYKIYBLV-INIZCTEOSA-N 256.478 4.929 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CCc2cccnc21 130645199 MNFHNZSBIDAYAR-IAGOWNOFSA-N 275.436 4.613 30 10 CJEE CCCCCCCCCCCCN1CCN(CC)CC1 139501097 DAOMIBJDWJWWRP-UHFFFAOYSA-N 282.516 4.545 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 156191056 KLWIUOGBPOADMF-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CCCCCCCCNc1ccc(Br)cc1N 159125849 PMZGJSUUGNCYSY-UHFFFAOYSA-N 299.256 4.804 30 10 CJEE CCCCCCCCNC1=NC[C@@H](c2ccccc2)S1 159404918 ZKXDXORYPKNJDD-INIZCTEOSA-N 290.476 4.781 30 10 CJEE CCCCCCCCOc1c(F)cccc1CNC1CC1 165357021 AUPYBSOTCFWPNS-UHFFFAOYSA-N 293.426 4.817 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(Cl)c1 165982111 KEOCIQQALPGIFV-OAHLLOKOSA-N 268.832 4.595 30 10 CJEE CC(C)S/C(=N\c1ccccc1)c1ccccc1 205134368 MAELSBZIYYDXIH-MSUUIHNZSA-N 255.386 4.907 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H](C)CC2)C1 223309092 NMOYCQUYBLLMNM-TVFCKZIOSA-N 290.495 4.853 30 10 CJEE CC1(C)CCCC[C@@H]1C(=O)[C@H](C#N)c1ccccc1Cl 226593881 PYHFDUJXZMVTFB-ZIAGYGMSSA-N 289.806 4.733 30 10 CJEE CCCCCCCCCCN1CC[C@H](C)N[C@@H](CC)CC1 227201062 BHMOVHYZBMBADI-OALUTQOASA-N 296.543 4.980 30 10 CJEE C#CCCC[C@@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229286467 YAMMALQYQNXZNK-HQPWOFCDSA-N 287.491 4.765 30 10 CJEE CCNCc1ccc(SCCCCC(C)(C)C#N)cc1 233534841 QTYKRLQECWGUNZ-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 250840729 XPYSBPBSWNALJI-FPSMNIFISA-N 264.453 4.924 30 10 CJEE N#CC1(c2cc(Br)ccc2Cl)CCCCC1 260415866 GIYRNWZNXDXZQP-UHFFFAOYSA-N 298.611 4.828 30 10 CJEE C[C@]1(CC#N)CC[C@H](c2ccc(Cl)c(Cl)c2)O1 310413711 PHGYZBIRDXGVFM-CHWSQXEVSA-N 270.159 4.517 30 10 CJEE CCCCCCCCCCC[C@@H](O)C1=COCC1 311224761 PGADIMDDHQVDMQ-MRXNPFEDSA-N 254.414 4.572 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCOC[C@H]1C 312530361 HIPIOYBPXZNQMT-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CCCCCCCCOc1cccc2c1C(=NO)CC2 313138461 FOCDIRPJAHKUDX-UHFFFAOYSA-N 275.392 4.550 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CC(C)(C)OC2(C)C)CC1 316608770 ADYBYNWGEIITMZ-SWKXRBFHSA-N 280.452 4.612 30 10 CJEE CC[C@@H]1CC[C@](C=O)([C@H]2CCOC3(CCCCC3)C2)C1 316758953 IUUMMSGCWSPDBK-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE CC[C@@H]1CC[C@](C=O)([C@@H]2CCOC3(CCCCC3)C2)C1 316758958 IUUMMSGCWSPDBK-ZACQAIPSSA-N 278.436 4.511 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cc(C)ccc2C)C1 316819802 KEZYQCHYFZOTHN-FUHWJXTLSA-N 258.405 4.631 30 10 CJEE C=CCCCCN[C@H](c1ccccc1)c1ccc(OC)cc1 319355668 RNZUZGHLGYCBPN-HXUWFJFHSA-N 295.426 4.731 30 10 CJEE CCCCCCC[C@H](O)c1ccc2cnccc2c1 328262297 VHXAJZMPDUINNY-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE C=CCSc1ccc([C@H](C)NCCC)c(Cl)c1 383044294 IFCNJOWJVRGSGK-NSHDSACASA-N 269.841 4.679 30 10 CJEE Clc1ccc(C#Cc2cccs2)c(Br)c1 383440074 ZJBRSAZWQLRWOC-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE CC[C@H]1CCCC[C@H]1C1(C#N)Cc2ccccc2C1 388794159 NJBRZBIRBRNRSL-WMLDXEAASA-N 253.389 4.512 30 10 CJEE CCCCCCCC[C@H](N)c1coc(Br)c1 393573308 MHCDRGKQDNAYSR-LBPRGKRZSA-N 288.229 4.793 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 393744144 KDDWDYQNVJCLSZ-WCQYABFASA-N 287.325 4.591 30 10 CJEE C=CCCCCCCN[C@@H](CCC)[C@H]1CC1(C)C 397624247 MBJRVSMIGWHHEB-CVEARBPZSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCCCCNCCC1(O)CCC1 397829384 KAYHWOPMVNTNGD-UHFFFAOYSA-N 283.500 4.802 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1 403333814 ATNRCKHGCDQZLD-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCC[C@@H]1C(=O)CO[C@@H]1C 405749606 BUFPRGAILJZOFR-CVEARBPZSA-N 268.441 4.901 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C(C)C)[C@H](C)c1ccccc1 410895791 ZESHBFWHYQINDE-HZPDHXFCSA-N 273.420 4.587 30 10 CJEE N#Cc1ccc(F)c(-c2c(Cl)cccc2Cl)c1 514260985 KSXIOYPGGJIXEX-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CC1(C)OB(/C=C/c2cc3cscc3s2)OC1(C)C 575464405 XXGKNXSMBOZHIF-AATRIKPKSA-N 292.234 4.607 30 10 CJEE CCCCCCCC[C@@H](NC)C1CCC(OC)CC1 686368664 PKJRRGBJVIWDLM-OFLPRAFFSA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1CCCC(F)(F)C1 686697626 RJXCTCDJQVFFIF-CVEARBPZSA-N 285.422 4.764 30 10 CJEE C=C1CCCN(c2ccc([C@H](C)NCCC)c(Cl)c2)C1 689057429 PYFHSBOWEHJXMX-AWEZNQCLSA-N 292.854 4.557 30 10 CJEE C[C@@H](Nc1cccc(C2CC2)c1)c1ccc(C#N)cc1 690134445 JKVYDTMEORNCFV-CYBMUJFWSA-N 262.356 4.609 30 10 CJEE N#Cc1ccc(Nc2ccc(C3CCC3)cc2)cc1F 690284658 VYOCDPQZNZLKLG-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)c(C)cc1C 692212721 BFRLJTDMPYWHLC-MJGOQNOKSA-N 271.448 4.836 30 10 CJEE CCCCCCC[C@H](NCC)C1C[C@@H]2[C@@H](C1)C2(F)F 693355648 YKPHLDFFRUFDFP-KFWWJZLASA-N 273.411 4.616 30 10 CJEE CCCCCCC[C@H](N)c1csc(C(C)C)n1 695423731 OQIAZEDRMRGRLK-LBPRGKRZSA-N 254.443 4.627 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cc(C(F)(F)F)ccc1F 695844397 VYPIFNNKRFWMTD-SECBINFHSA-N 288.288 4.585 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@H](C)CC3)C[C@@H](C1)C2 697305470 XUCONNUXIHXBGT-LIFFNAMISA-N 261.453 4.680 30 10 CJEE CCC[C@H]1CCCCN([C@@H](CC#N)c2ccccc2)C1 703256065 QFUYYLXOYDFPLF-WMZOPIPTSA-N 270.420 4.544 30 10 CJEE CC(C)(C)[C@H]1C[C@H]1COCC1(CS)CCCCCC1 703621348 AAKVVLXSOXEDHA-GJZGRUSLSA-N 284.509 4.956 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1cccc(F)c1 703995657 LBZMTIQMWJPBQN-MRXNPFEDSA-N 263.400 4.859 30 10 CJEE CCCCCCCCCC(=O)[C@]1(C)CCCC[C@@H]1N 709941937 FFGNWLQIWVCGKG-DOTOQJQBSA-N 267.457 4.604 30 10 CJEE CC[C@H](Nc1cc(F)cc(C#N)c1)c1cccc(C)c1 718566381 XGUQSBGOWGUVQX-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE COC[C@@H](CC1(C#N)CCCCCCC1)C(C)C 721754042 RBSFCNCPZUTWIB-OAHLLOKOSA-N 251.414 4.549 30 10 CJEE C=C1CCC(CN[C@H]2CCC[C@H](C(C)C)CC2)CC1 724441127 QYPJAXHXDXZCKT-ROUUACIJSA-N 263.469 4.927 30 10 CJEE Cc1cc(C#Cc2cccc(Cl)c2Cl)ccc1F 725426493 RQDPBHJUZULVRH-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)cc2Cl)CCC1 1124312839 LTECGOJQURYCJH-UHFFFAOYSA-N 285.170 4.645 30 10 CJEE C=C1CCC(CNC(=O)[C@H](C)CCCc2ccccc2)CC1 1133544104 RLWVSNOJJMZNLY-QGZVFWFLSA-N 299.458 4.508 30 10 CJEE C=C[C@@H](C(=O)Nc1ccccc1C(F)F)c1ccccc1 1142762093 BHKCTSONIFMQGP-CYBMUJFWSA-N 287.309 4.533 30 10 CJEE C=CCC1(NCC[C@H]2CCCC2(F)F)CCCCC1 1175372654 XDUADSHDOHXWAT-CQSZACIVSA-N 271.395 4.681 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc2scnc2c1 1179142736 LQRIWIYHYHQDIP-HUUCEWRRSA-N 286.444 4.521 30 10 CJEE C=CCC1(N[C@@H](C)c2nccc3ccccc23)CCCC1 1182902402 MEKBESHSRICJGN-HNNXBMFYSA-N 280.415 4.774 30 10 CJEE C=CC(C)(C)NC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1203002826 BDUARABIXAJSLQ-UHFFFAOYSA-N 294.398 4.748 30 10 CJEE CCCCCCCCCN(C)C[C@@]1(C)CCCCO1 1204736488 NADSSRHHVOWXQJ-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C#CCCCCCCN[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 1205645877 SZFXVQCRNVRRAL-IEBWSBKVSA-N 287.422 4.635 30 10 CJEE C=CCCCCCCNC(=O)C[C@@H](C)C1CCCCC1 1271935578 OJVBITNHMIPIGG-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CC(C)(C)CCNC(=O)N[C@H](CCC(C)C)C(C)(C)C 1312000603 YBLOCMYZPGXLIK-OAHLLOKOSA-N 296.499 4.739 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@H](C)Sc2ccccc21 1352730549 FRSYEIIEHAIOQJ-UONOGXRCSA-N 289.444 4.506 30 10 CJEE C=CCN(C(=O)C/C=C\c1ccc(C)cc1)c1ccccc1 1357806009 LKGGXUCIDPCFCR-FPLPWBNLSA-N 291.394 4.618 30 10 CJEE C=CC(C)(C)C(=O)Oc1c(Cl)ccc2ccccc12 1438499490 TVOSZBLEQDPWOM-UHFFFAOYSA-N 274.747 4.611 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1)C(CC)CC 1444505666 IUCODGUJOYBUDS-GOSISDBHSA-N 287.447 4.882 30 10 CJEE C=CCCCCN1CCOc2c1cccc2C(C)(C)C 1473390266 ZFKLDMXHZJDPTJ-UHFFFAOYSA-N 273.420 4.539 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1518907377 VKPGWJIGLIBREA-DYVFJYSZSA-N 291.410 4.631 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC)CC1CCCCC1 1533646395 ZERSEJXDGBBOCS-KURKYZTESA-N 289.463 4.693 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccc(-c2ccccc2)o1 1538733287 KEPBDOARTXOULR-UHFFFAOYSA-N 297.398 4.765 30 10 CJEE C#CCCCCCC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1542580297 YAFWXSDFNONTMN-QGZVFWFLSA-N 297.442 4.747 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](C)CC1CCCCC1 1543938309 WBERQWNNXVMQQP-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE CCCOc1ccc(C#Cc2ccccc2Cl)cc1 1614827990 NLJYPKAJUCQWOO-UHFFFAOYSA-N 270.759 4.529 30 10 CJEE C=C[C@@H](OC(=O)c1cccc2ccccc12)c1ccccc1 1617547722 AXJQHJAJJJBZRG-LJQANCHMSA-N 288.346 4.924 30 10 CJEE C=CC[C@H]1N(CCCc2ccccc2C)CCCC1(C)C 1617604519 UJNBGTXOOXSEBN-LJQANCHMSA-N 285.475 4.994 30 10 CJEE C=CCC1(NC(=O)C[C@H](CC)CCCC)CCCC1 1617816743 UDMGFIDZEFWGHD-OAHLLOKOSA-N 265.441 4.598 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc([C@@H](C)CC)c1 1618231291 YXJLHFGWFUZYQT-AWEZNQCLSA-N 271.404 4.907 30 10 CJEE C=CCC[C@H](CCC)NCCc1ccc(SC)cc1 1621294028 SMRYIFLTAXHXKA-INIZCTEOSA-N 277.477 4.676 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 1621433996 HVEAIUZUZPXFJX-DMRKSPOLSA-N 289.488 4.965 30 10 CJEE C=CCCCN1CCc2cc(Cl)cc(Cl)c2[C@@H]1C 1641971495 SUGRJIRUWLZTRF-NSHDSACASA-N 284.230 4.879 30 10 CJEE CCCCCCCCCNC(C)(C)[C@H]1CCCCO1 1648091812 CYOCOQJUQMSZTL-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H]1CCN1[C@H](C)c1cccc2ccccc12 1655816218 ZFRAHMMKZZLRAJ-GDBMZVCRSA-N 251.373 4.551 30 10 CJEE C=CCOCCSC(c1ccccc1)c1ccccc1 1655982181 VHLIDRYUWZTHTJ-UHFFFAOYSA-N 284.424 4.712 30 10 CJEE C=CCn1c(SC(CC)CC)nc2ccccc21 1656004949 OLLGHTRHIZMNGN-UHFFFAOYSA-N 260.406 4.503 30 10 CJEE C=CCC1(CNCc2ccc(CCC)s2)CCCC1 1657359195 FJEJOYDRKKUNTJ-UHFFFAOYSA-N 277.477 4.927 30 10 CJEE C=CCN(C(=O)CCc1ccc(C)cc1)C1CCC(C)CC1 1860008369 MRLNCYOFKLZGBX-UHFFFAOYSA-N 299.458 4.521 30 10 CJEE C#CCCCCC[C@H](NCC)C1(C(C)(C)C)CCC1 1876764467 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4.793 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1[C@@H](C)NCC 2313688385 GFWXBDOBSHGPMT-VXGBXAGGSA-N 267.413 4.553 30 10 CJEE C=CCC(CC=C)SCCN[C@H](C)CCCCC 2313693199 VCWORTVVLAZILR-OAHLLOKOSA-N 269.498 4.799 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H](C)C(C)(C)C 2316752760 QXMVFSRNMVIADN-HOCLYGCPSA-N 251.458 4.805 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1cccc(SC(C)C)c1 2327778440 PNRRWCZPWULVDP-CJNGLKHVSA-N 263.450 4.660 30 10 CJEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccccc1 2330448592 JIDFNXPLDSBXFY-UHFFFAOYSA-N 281.399 4.925 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NC 2335097519 YUJOETCIEYHPDU-BHYGNILZSA-N 281.509 4.653 30 10 CJEE C=CC[C@@H](C)Sc1cccc(F)c1CN[C@@H](C)CC 2335229369 LUMYSMLJDAVEKP-QWHCGFSZSA-N 281.440 4.771 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(COC)s1 2336714867 VGEPIYFCNNDZNT-OAHLLOKOSA-N 283.481 4.906 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccc(F)cc1 2337111123 IPHWQOSYNXEXSN-XYPHTWIQSA-N 261.384 4.611 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338687958 DTPVCECKVHVYIF-UOVPBQLFSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC)CCCCC1(C)C 2338730431 QKPVPRSMLAYTQZ-SFHVURJKSA-N 263.469 4.951 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)CCCC23CC3)c1 2343786393 AYJLXDJQYLGVJM-SFHVURJKSA-N 253.389 4.827 30 10 CJEE C#Cc1c(F)cc(NC[C@@H](CC)CCCC)cc1F 2344171903 XIBNQLAQIQRYDX-LBPRGKRZSA-N 265.347 4.574 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc2cnsc12 2344359200 XQGDJOIAOHHRHS-JKSUJKDBSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1CCC12CCC2)NCC 2344381802 DBHUYMFEEWAKGZ-IKGGRYGDSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@](C)(Nc1csc(C)c1)C(=O)O 2348341275 TYWCBIXMYIELLD-OAHLLOKOSA-N 283.437 4.672 30 10 CJEE Cc1ccc(C(C)C)c(-c2cccc(F)c2C#N)c1 2352933533 CITMBXVNCPBECY-UHFFFAOYSA-N 253.320 4.796 30 10 CJEE CCC[C@@H](CC)C[C@@]1(C=O)CCOC12CCCCC2 2353449837 JKRVLALHGZVFGY-HZPDHXFCSA-N 266.425 4.511 30 10 CJEE CCCCCCCCCCCCOC[C@H]1[C@@H]2C[C@H]1CN2 2358071806 ZBQKHPONSYWOJR-KSZLIROESA-N 281.484 4.532 30 10 CJEE COc1ccc2ccccc2c1/C=N/Nc1ccc(C)cc1 7931047 LNDOVYMZHZTGOP-DEDYPNTBSA-N 290.366 4.603 30 10 CJEE CC(C)(C)C1CCC(Nc2ccc(OCC#N)cc2)CC1 21814341 JEZZZIYGAZUAEY-UHFFFAOYSA-N 286.419 4.606 30 10 CJEE CCC1CCC(Nc2ccc(Cl)c(C#N)c2)CC1 36972920 UDPDKYWXGOTDDN-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2c(C)cc(C)cc2C)cc1 57695681 FAAXVKHDIKYHDM-SFHVURJKSA-N 293.410 4.997 30 10 CJEE N#C[C@H](Cc1ccccc1)c1cccc2ccccc12 57722835 IIYYFBCTHWWCKJ-KRWDZBQOSA-N 257.336 4.690 30 10 CJEE COc1ccc(Cl)cc1[C@H]1CCCCC[C@H]1C#N 62661303 XGZRHOXVICNITL-AAEUAGOBSA-N 263.768 4.536 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2)C1 87973379 LXTHSSRLXAQKNC-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE CC(C)c1ccc([C@@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)cc1 91881594 ZOWJNTBLXDESOH-OLMNPRSZSA-N 271.404 4.563 30 10 CJEE C[C@H]1C[C@H](C)CC(O)(C2(C#N)CCC(C(C)(C)C)CC2)C1 91886900 YYRJJRMRGBFEBU-WMTDPASSSA-N 291.479 4.920 30 10 CJEE Cc1ccc(C)c(OCC2(CS)CCCCC2)c1C 94584280 PWJROUZEIQHOLD-UHFFFAOYSA-N 278.461 4.871 30 10 CJEE CCC#C[C@@H](C)Cc1c(C)cc(OCCC)cc1C 107647533 CMJOFDVGJXRWIU-CQSZACIVSA-N 258.405 4.684 30 10 CJEE N#Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1 111037132 LZXQAAZOANBIMH-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CCCCCCCCCn1ccc2c(N)cccc21 112699120 GUWADJCKNZRKFJ-UHFFFAOYSA-N 258.409 4.974 30 10 CJEE CCCCCCCCCCCC(=O)N(C)[C@H](C)CC#N 112733703 VQKFQAPPLBLDDX-MRXNPFEDSA-N 280.456 4.668 30 10 CJEE CCCCCCCCn1ccc2c(C[C@H](C)N)cccc21 114675886 BODHOTNFBRAIHA-INIZCTEOSA-N 286.463 4.892 30 10 CJEE CCCCCCCC[C@@H](O)CCc1cccs1 122373537 SFHISECUYSMGPI-CQSZACIVSA-N 254.439 4.792 30 10 CJEE Fc1cc(Cl)c(NCC#Cc2ccccc2)c(Cl)c1 123268202 CJRASAFIMJCNBH-UHFFFAOYSA-N 294.156 4.596 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCc2cc(Cl)ccc21 127452831 OXSHVSZOUCORGG-MRXNPFEDSA-N 282.774 4.620 30 10 CJEE CCCCCCC[C@@H](Cc1cccc(F)c1F)NCC 148707961 FMRWISORQBZQEQ-HNNXBMFYSA-N 283.406 4.846 30 10 CJEE C=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNC(C)C 156143346 VVXDMPFYLRVQKS-BBWFWOEESA-N 251.458 4.783 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1c(Cl)cccc1Cl 158823476 GDYAOCNYYFTBGY-HNNXBMFYSA-N 286.246 4.726 30 10 CJEE C=C(CC)CC(=O)c1cc(C)c(Br)c(C)c1 162888969 UHNUJWKJUHNLKG-UHFFFAOYSA-N 281.193 4.605 30 10 CJEE C=CCC[C@H](NCCC)c1ccccc1C(F)(F)F 167775860 MLWQXLGRCGWUKS-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1F)c1cccc(Cl)c1 168287732 IKWPMJWDCALVQX-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CCCOC1 203398939 VEOHSEOLDCDWIK-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 221801406 ZSBMSICUWLSEAU-GRDNDAEWSA-N 270.420 4.724 30 10 CJEE CCCCCCCOc1ccc(CNC(C)C)cc1F 222112183 DQDSETMPHVQTRE-UHFFFAOYSA-N 281.415 4.673 30 10 CJEE C=CCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NCC 222605134 ABJQNFUPGHQIMO-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCCCNC1=N[C@](C)(CC)CCS1 228523478 RJZKWVKAOMHKOB-OAHLLOKOSA-N 270.486 4.598 30 10 CJEE CCCCCCCC[C@H](NC)c1cncc(OC(C)C)c1 229134924 YQNFCHYCFYTLSF-SFHVURJKSA-N 292.467 4.880 30 10 CJEE CCCCCCC[C@H](N)[C@H]1[C@H]2c3ccccc3CC[C@H]21 232066055 DHMQMVVUOOKSIW-XWSJACJDSA-N 271.448 4.650 30 10 CJEE CCCCCCC[C@H](NCC)c1ccoc1Cl 232931905 MLZCFAWMHJMOGW-ZDUSSCGKSA-N 257.805 4.944 30 10 CJEE CCCCCCCCC[C@@H]1OCC[C@H]1CNC(C)(C)C 232962356 UBRGEOXMETXXIT-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(C)c1F 233609290 PEHVNNOKKUHVFV-MRXNPFEDSA-N 263.400 4.921 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Cl)cc1OC 234439137 KBNJQIBZSBDEAK-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE N#CC1(c2cc(Cl)cc(Cl)c2Cl)CCC1 238536959 VXXDIBZPOMZTRQ-UHFFFAOYSA-N 260.551 4.592 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC[C@H]1CCC 250819958 KXQWSQPRNYAVDG-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccc(Cl)cc1Cl 251546443 PPQWATXBEDTKRG-ZIBATOQPSA-N 297.229 4.726 30 10 CJEE CCCC[C@@H](CC)COc1ccc(C(CC)=NO)cc1 252430444 PZHUJIXXSRGRRY-CQSZACIVSA-N 277.408 4.870 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 252903819 PENAKCOZABGTGF-WOYTXXSLSA-N 269.473 4.514 30 10 CJEE Cc1c(N=Cc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 254290281 RPQCVJHPZUAQID-UHFFFAOYSA-N 282.343 4.777 30 10 CJEE CC(C)C[C@@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)C1 307921640 DVHMMQRSSUTQGI-ZFWWWQNUSA-N 274.383 4.714 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CCCC(F)(F)C1 311161942 MOLSELBMVRFFNF-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE Cc1ccc(C#N)c(N[C@@H]2CCCCC23CCCC3)c1 313062337 ISWQWBNRSBQPFO-QGZVFWFLSA-N 268.404 4.782 30 10 CJEE C[C@@H]1CCC[C@]1(CC#CC(C)(C)C)CNC(C)(C)C 318191454 ZFNIGLYAVRTSLR-QAPCUYQASA-N 263.469 4.621 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)CCCCCCC1 379281174 QRWCSHNRTXXIGI-IKGGRYGDSA-N 275.436 4.978 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@H]1CCC[C@H](CC)C1 382141744 CVMPWLNSSZOXDQ-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@H]1NC[C@H]1c1ccccc1 385222473 RGIZLTZRWUJGGN-ZWKOTPCHSA-N 259.437 4.883 30 10 CJEE C=C(C)CCN[C@@H]1c2cc(Cl)ccc2CC1(C)C 386741587 DMPSHSXNWUECPO-OAHLLOKOSA-N 263.812 4.519 30 10 CJEE C=C(COCCC)[C@@H](NC)C1CCC(CCCC)CC1 387519620 KBWOTDUDJKKXAC-DAWZGUTISA-N 281.484 4.554 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](C#N)Nc2cccc(Cl)c2)C1 394588150 YQDCPEKBSPGOAL-WWGRRREGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@H](O)CC(F)(F)C(F)F 400662831 WZXPZLGNTZWMOE-NSHDSACASA-N 272.326 4.779 30 10 CJEE CC[C@@H](OCC[C@@H](C)CCS)c1ccccc1 403312430 ZEJFOGLSRASOHT-UKRRQHHQSA-N 252.423 4.500 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]2C1)NC 403314047 CBXSPPQVRROKOA-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C#N 403559145 UUWKYLXLSDCTJR-MCIONIFRSA-N 286.444 4.518 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC2(CCCCC2)CC1 469951348 XGOSEQPTUSLCAS-INIZCTEOSA-N 277.452 4.552 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 521663189 LLMYZLGIXCAITL-KGLIPLIRSA-N 299.389 4.758 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCC[C@H](OC)C1 686364763 TUYTZYGQGLHEGB-HOTGVXAUSA-N 268.441 4.901 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)C2(C)CCCC2)C1 688314438 DEHZQDUPVKCQOE-CQSZACIVSA-N 277.452 4.674 30 10 CJEE CCSc1cccc(N=C2N[C@H](CC)[C@@H](CC)S2)c1 690080194 XMEQPRAJZMUHQW-ZIAGYGMSSA-N 294.489 4.680 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOCC2CC2)C1 690506222 VDARUCBJROJWPC-UHFFFAOYSA-N 263.425 4.549 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1 692251378 ARDARBJZLUNKEV-GDBMZVCRSA-N 263.812 4.565 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(C(F)F)c1 701160996 PYDGRQWISHBQGN-CQSZACIVSA-N 255.352 4.985 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCOC2CCCCC2)C1 701412494 KBPVLDMKUPHFID-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE CC1(C)CO[C@H](CC2(C=O)CC(C)(C)CC(C)(C)C2)C1 708574090 QZUDJJXGYJSCCN-AWEZNQCLSA-N 280.452 4.613 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@H](C)CC(C)(C)C 709230282 WXYHCYWUTKKBNL-JKSUJKDBSA-N 253.474 4.887 30 10 CJEE CC(C)[C@@H]1CCSC(=Nc2cccc(C3CCC3)c2)N1 709700215 GIYSAAOXJAPRCL-INIZCTEOSA-N 288.460 4.693 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Br)ccc1C 715726915 VYAPPUCWNWGERP-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(F)c1F 715737600 KQRQVOFIYOPBSX-MEBBXXQBSA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@H](CC1CCCCCC1)NCCC 715762281 ZMEGPQFBTUCUMH-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H](O)c1oc(Br)cc1C 715781318 RKCTYZWHUJCZFC-LLVKDONJSA-N 289.213 4.744 30 10 CJEE CCCCCCCCC[C@@H](CCCC(C)(F)F)NN 718586052 MXGRTZIDWWAINC-AWEZNQCLSA-N 278.431 4.785 30 10 CJEE SCCc1csc(-c2cc(Cl)ccc2Cl)n1 723887918 TXJPNEHFHNFQAH-UHFFFAOYSA-N 290.240 4.589 30 10 CJEE CCCCCCCCC[C@H](O)C1C[C@@H](C)O[C@H](C)C1 724231185 SYXBBWWVXQONCV-INMHGKMJSA-N 270.457 4.692 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C[C@H](C)O[C@@H](C)C1 724262738 ABODQLNIGYJBJI-BQFCYCMXSA-N 281.484 4.695 30 10 CJEE N#Cc1cc2c(C(F)F)csc2cc1OC(F)(F)F 725291377 LDYXLNYPBJEYCM-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C#CCCCSCc1csc(-c2ccsc2)n1 766736778 DYQWVEKFFSUSKY-UHFFFAOYSA-N 279.455 4.518 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 1124836194 KPROGYXIKSTSGF-KGLIPLIRSA-N 285.387 4.555 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 1126663642 HLZHBATZEZYBSF-INIZCTEOSA-N 293.410 4.919 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(C)c(Cl)c1Cl 1127696474 KPOZKARFKYIJSI-UHFFFAOYSA-N 286.202 4.843 30 10 CJEE C=CCC1(CNC(=O)C2(C3CCCCC3)CC2)CCCC1 1128861837 FJADRYDHQYNVQY-UHFFFAOYSA-N 289.463 4.600 30 10 CJEE Cc1ccc(N(CCC#N)C(=O)CC2(C)CCCCC2)cc1 1136505248 FBGWPXIFJZJTHW-UHFFFAOYSA-N 298.430 4.602 30 10 CJEE CC(C)c1ccccc1NC(=O)c1cccc([C@@H](C)C#N)c1 1148608032 XJFCGSNADYWZRD-AWEZNQCLSA-N 292.382 4.689 30 10 CJEE C=CCCCCCCCNc1nc(C2CC2)nc2c1CCC2 1163437815 YMXHOXILDYJVLI-UHFFFAOYSA-N 299.462 4.781 30 10 CJEE C#Cc1cccc(N[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1 1180655080 TTZMQDCUIWXBEL-KBPBESRZSA-N 283.802 4.925 30 10 CJEE C#C[C@H](CC)NCc1cccc(-c2ccc(Cl)cc2)c1 1181576697 MJCXDDHGMRPMAG-GOSISDBHSA-N 283.802 4.508 30 10 CJEE C=CCCN(C[C@H](C)CC(C)C)OCc1ccccc1 1193563247 KRIQEFUPLGMODK-QGZVFWFLSA-N 275.436 4.679 30 10 CJEE C=CCOc1cccc(NC(=O)C[C@@H](CC)C(C)(C)C)c1 1264784989 QBVZMCHLFCTUFI-CQSZACIVSA-N 289.419 4.652 30 10 CJEE C=C[C@@H](C(=O)N1CCCC[C@@H]1CC1CCC1)c1ccccc1 1301269478 PFEDIKPETJUXGR-RTBURBONSA-N 297.442 4.528 30 10 CJEE C=CCCC[C@@H](C)Nc1nc2cc(C)ccc2s1 1307078454 DQEPFKJIYNAFPO-GFCCVEGCSA-N 260.406 4.761 30 10 CJEE C=CCSc1nc2ccccc2n1-c1ccc(C)cc1 1307267040 URXXCQISYBAVBK-UHFFFAOYSA-N 280.396 4.612 30 10 CJEE C#CCN(Cc1c(C)c(C)c(C)c(C)c1C)C1CCCCC1 1307445133 UPYOGPXXJWRPKA-UHFFFAOYSA-N 297.486 4.997 30 10 CJEE C=CCCC[C@H](C(=O)N(CC)CC(=C)C)c1ccccc1 1352046969 QTMKOMOOTMQSGM-SFHVURJKSA-N 285.431 4.551 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(C(C)(C)C)ccc1OC 1352383551 BLKPPEBSZKIGFM-UHFFFAOYSA-N 289.419 4.534 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)c1ccc2ccccc2c1 1357567972 SACURUZBVBWJKF-OAHLLOKOSA-N 281.399 4.795 30 10 CJEE C#CCCCCCC(=O)N(CC(C)C)c1ccc(C)cc1 1436878738 KMIRKMYPPLZMEO-UHFFFAOYSA-N 285.431 4.568 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C)(C)C2CCCCC2)C1 1461366287 WWNUZBQAYCDQDX-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE C#Cc1ccc(NCc2cccc(Cl)c2Cl)cc1 1461816754 VAPZDSNJAUGIII-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=C[C@H](C(=O)N[C@@H](C)c1cc(C)sc1C)c1ccccc1 1464094629 KHSUEARQSYLFBR-BBRMVZONSA-N 299.439 4.512 30 10 CJEE C=C(C)CCC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 1522971427 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C=CCCC(C)(C)NC(=O)Nc1ccc(C)cc1SC 1678477262 FMLJTVLHIKQAJC-UHFFFAOYSA-N 292.448 4.583 30 10 CJEE C#Cc1cccc(NC[C@H]2CC[C@H](CCC)CC2)c1 1878289643 ISAOVCXDJJPDMN-QAQDUYKDSA-N 255.405 4.686 30 10 CJEE CCCCCCCCCN1CC(C)(C)C[C@@H](C)C1=O 1883429066 WJVONRCJAMEGKL-OAHLLOKOSA-N 267.457 4.632 30 10 CJEE C=C1CCC(C[C@@]2(O)C[C@@H]3CCCCC[C@@H]3C2)CC1 1886402271 IZRQQHQIDDMZGC-PIIMJCKOSA-N 262.437 4.844 30 10 CJEE C=CCCCCCC(=O)C(O)(CC(C)C)CC(C)C 1886678432 GCBKQUCPIQFCFE-UHFFFAOYSA-N 268.441 4.515 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 1887490465 UXSOFWOLNZAQKB-XYJFISCASA-N 263.469 4.621 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)c1cccc2ccsc12 1887503132 YHXCDZANSIORKL-XJKSGUPXSA-N 271.429 4.601 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1cccc(O)c1 1890070825 CXEQGHGZBWJQRQ-KRWDZBQOSA-N 261.409 4.569 30 10 CJEE C=CCC(CC=C)SCc1cc(Br)ccn1 1899413778 BDSPBJLHKWOCON-UHFFFAOYSA-N 298.249 4.598 30 10 CJEE Cc1c(C(=O)C2=CCCC2)ccc(Cl)c1Cl 1901129952 NIMISJKOAPABCS-UHFFFAOYSA-N 255.144 4.595 30 10 CJEE 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260.383 4.770 30 10 CJEE C=CCCCCCC[C@H](NC)c1sccc1F 2026021783 MWAUCHCCABVYSO-ZDUSSCGKSA-N 255.402 4.674 30 10 CJEE C=C[C@](C)(CCSC1CCCC1)CNC(C)(C)C 2031796368 SRIDLPMTJJSEPJ-MRXNPFEDSA-N 269.498 4.633 30 10 CJEE C=C([C@@H](NC)c1cccc2ccsc12)C(C)(C)C 2035422441 ZSJBOGVEXRFSNH-CQSZACIVSA-N 259.418 4.764 30 10 CJEE CCCCCCCC[C@H](CCCCCOC)NC 2037943415 AXVUUZAOJCDIAV-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCCCCC[C@]1(CNCC)CCS[C@H](C)C1 2041708158 BDFIJDCQZOTWKK-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C=C([C@@H](NCCC)C1(C(C)C)CCC1)[Si](C)(C)C 2045824235 RLRUPRRMOHWQSH-OAHLLOKOSA-N 267.533 4.615 30 10 CJEE CCCC[C@@](C)(C#N)c1ccc(C(F)(F)F)cc1 2045990695 SXZFINSAPXHMGJ-ZDUSSCGKSA-N 255.283 4.677 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cnsc1C 2046025205 HHSKKZLMKQOYAS-OAHLLOKOSA-N 268.470 4.982 30 10 CJEE C#CC(C)(C)C[C@H](O)CCCCCCCCCC 2048688330 YRHKNSCPALTPMF-MRXNPFEDSA-N 252.442 4.928 30 10 CJEE C=CCCCCC[C@@H](O)C[C@@H](C(F)F)C(C)(C)C 2048748992 PIHFFHKBUQUDMO-OLZOCXBDSA-N 262.384 4.801 30 10 CJEE 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275.480 4.927 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C(F)(F)F 2358137313 KCVLCUOCNOTXMQ-RBSFLKMASA-N 289.385 4.527 30 10 CJEE C/C(=N\O)c1ccc2ccccc2c1OCc1cccs1 35427612 VOXDXNRDZOQJNM-LDADJPATSA-N 297.379 4.679 30 10 CJEE C[C@@H]1CCC[C@@H](C)C1Nc1ccc(C(C)(C)C#N)cc1 36922206 HAFMGIGSPLUOFF-ZIAGYGMSSA-N 270.420 4.724 30 10 CJEE CC[C@@H](C)N(CC)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 37147236 CHRSUTGLXDGBRZ-NXWXRZEISA-N 284.447 4.583 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2ccc(F)cc2Cl)c1 37185210 VRWBDTKMAZBFFY-NSHDSACASA-N 273.738 4.634 30 10 CJEE CCc1cccc(C)c1N[C@@H](C)c1ccc(C#N)cc1 37763771 LXNDUNNATCHQLJ-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccccc1C(F)(F)F 54823206 GALISXLSORRBKI-AAEUAGOBSA-N 282.309 4.590 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823835 PPQWATXBEDTKRG-FIXISWKDSA-N 297.229 4.726 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccccc1F 59089925 TYZUPWJDXBKHGP-CQSZACIVSA-N 251.389 4.664 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(OCC)cc1 59207863 IDBIYOIVONUJJV-UHFFFAOYSA-N 290.403 4.588 30 10 CJEE O=[N+]([O-])c1ccc(/C=N/c2ccc3ccccc3c2)s1 59513833 GYXZFCVOEZLGCB-MHWRWJLKSA-N 282.324 4.560 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)CC2)c1 86949162 QSBMBTNSCJESDL-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE N#Cc1c(F)cccc1Oc1cccc2ccccc12 93406764 GXQKDDCAIRSKAV-UHFFFAOYSA-N 263.271 4.643 30 10 CJEE SCC1(CN2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 94579261 DVPLPYZLBVMBKA-HOTGVXAUSA-N 281.509 4.521 30 10 CJEE CCN(CCCCCCCCCS)Cc1ccccn1 97799525 PCFOBGVHCRZZCS-UHFFFAOYSA-N 294.508 4.564 30 10 CJEE C#CC[C@H](CC)c1cc(Cl)cc(Cl)c1OC 107655013 AQBFIHPEUCPWFD-VIFPVBQESA-N 257.160 4.519 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1[C@@H](C)CCC#N 107656100 GBOFHWHFKFAUDD-VIFPVBQESA-N 272.175 4.799 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ncccc1C 109732229 QZNPORYHGYYJPH-MRXNPFEDSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCOc1cccc2c1CCC2=O 110305762 HNMZVJCOAVTTNC-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1Nc1ccc(Cl)cc1C#N 113832884 SSXXXNPNRCRALQ-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCC[C@H](CO)Cc1ccc(Cl)cc1 116633342 BDEPFGCILJJGMK-HNNXBMFYSA-N 268.828 4.852 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)CNC1CC1 116659888 AJTODUGYWOWMJP-GOSISDBHSA-N 283.500 4.800 30 10 CJEE CCCCCCCCOCc1cnc(NCCC)s1 128308407 FNJODUMSWMHCJV-UHFFFAOYSA-N 284.469 4.842 30 10 CJEE CC(C)(C)C1CCC(CNc2ccc(F)c(C#N)c2)CC1 129882160 RIRVNNLNFNFADD-UHFFFAOYSA-N 288.410 4.962 30 10 CJEE CCSc1cccc(Oc2ccc(F)cc2)c1C#N 136705099 HRSXFBKTCDWLRR-UHFFFAOYSA-N 273.332 4.602 30 10 CJEE CCCCCCCCC[C@H](N)CC1CCSCC1 139451751 LPESDZDYADPOKD-INIZCTEOSA-N 271.514 4.988 30 10 CJEE CCCCCCCCCNCCc1ccccc1C 149964763 RSFOIJJKDRLIMT-UHFFFAOYSA-N 261.453 4.878 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]2CC[C@@H](C1)N2 156355801 YOKCUBGUHHBEHQ-MOPGFXCFSA-N 294.527 4.734 30 10 CJEE C=CCC[C@H](NCCC)c1ccccc1C(C)(C)C 167807405 NTITXRGGOYJAQV-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CCCCCCCOc1ccc(C#N)cc1Br 213245568 KVTBYYJOFSEBJU-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE C[C@@H]1CCC[C@H](SCCCC[C@](C)(C#N)NC2CC2)C1 226973810 JCZWHIXAOMQJHQ-HYVNUMGLSA-N 294.508 4.503 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(Cl)ccc1OC 228480538 CTXHTNMYHWMONL-OAHLLOKOSA-N 283.843 4.970 30 10 CJEE SCCCCCCCCCOCCC1CCC1 229592826 CVPUNHOYTDYQMI-UHFFFAOYSA-N 258.471 4.854 30 10 CJEE O=C(C1=CCCCCCC1)c1ccccc1Br 232483772 ZQEAKIXDHXVLAC-UHFFFAOYSA-N 293.204 4.912 30 10 CJEE C=C[C@](C)(CNCC(C)C)Cc1ccc(C)cc1Cl 232579265 GPUGCTBVVWSXQP-KRWDZBQOSA-N 279.855 4.629 30 10 CJEE CCCC[C@H](CC)CNc1sc(C#N)c(N)c1C1CC1 233058571 AMVVMHAKZFHQCZ-NSHDSACASA-N 291.464 4.708 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2cc(F)ccc2C#N)C1 235306535 FWXRFUQKHZDSDB-IAQYHMDHSA-N 263.381 4.509 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H]2C(C)C)C1 251380174 ZXNAFLGVMWHZIK-BDXSIMOUSA-N 290.495 4.851 30 10 CJEE CC(C)(C#N)Cc1ccc2nc(C(C)(C)C)sc2c1 260495671 KQMNZURPYVJTOJ-UHFFFAOYSA-N 272.417 4.686 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)CC1 300439014 WBDDVDXIKZDIHX-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2sccc2s1 304131908 XUUBCUHGWWISQY-UHFFFAOYSA-N 262.399 4.585 30 10 CJEE C=C(C)C[C@H](NCCC)c1c(C)cccc1Br 310500060 QVCYSJHHCGRJPK-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1CCCC(F)(F)C1 311161944 MOLSELBMVRFFNF-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C[C@@H]1CC(n2ccc3c(C#N)cccc32)C[C@@H](C)C1 311268051 QTUMKHDDQPLZDM-STQMWFEESA-N 252.361 4.510 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC[C@@H](C)c2ccccc21 311831028 GFUIWFXAARWVJP-PBHICJAKSA-N 257.421 4.817 30 10 CJEE CCCCCCCCCC[C@H](C)C[C@H]1COCCN1 312033266 YWKAQSMGCMFLLV-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C([C@H](NCCC)[C@H]1CCC[C@@H](CC)C1)C(F)(F)F 312037440 ZPFJJYHGIOQTJR-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE C[C@@H](CNc1ccc(Cl)c(C#N)c1)C1CCCCC1 312045554 UUHDGBGGJAJWHN-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2nc3ccccc3s2)C1 316907571 UXUSCJVFDKIGER-GUYCJALGSA-N 287.428 4.624 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1cccc2ccccc12 317025842 RZTIIECEUWSMFK-HNAYVOBHSA-N 266.384 4.778 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C/C=C\c2ccccc2)C1 317254556 DUSWVURGOYSQSI-JAYNKOPWSA-N 256.389 4.875 30 10 CJEE CCCCCCC[C@]1(CNC2CC2)CC[C@@H](C)C1 319307949 DOPKDZLCTSNIFB-WBVHZDCISA-N 251.458 4.905 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1CC2CCC1CC2 382524914 XLGGRGLXWVTEOD-ZGUYJTEBSA-N 263.469 4.927 30 10 CJEE C=CC(C)(C)CNCc1c(Cl)ccc(Cl)c1Cl 384904965 AADDKXAGYQHMRP-UHFFFAOYSA-N 292.637 4.949 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](C)CCOC 386182194 HSMRBVNQZAKZDJ-DLBZAZTESA-N 271.489 4.778 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1c(C)cc(C)cc1C 386778331 KVUSRXYHSGEMEF-QGZVFWFLSA-N 273.464 4.735 30 10 CJEE C=CC[C@H](CC)NCc1sc2ccccc2c1Cl 393741017 BTPPQHVCSLAKDG-NSHDSACASA-N 279.836 4.999 30 10 CJEE CCCCCCCCNC[C@@H](CC)CC(F)(F)F 402553027 GVJIBNCPPQLBFX-ZDUSSCGKSA-N 267.379 4.915 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc2c1CCC2 410346487 IRURUJPJNUNVAP-UHFFFAOYSA-N 291.394 4.546 30 10 CJEE C=CCCc1ccccc1NCc1cnc(C(C)C)s1 500404765 RQWZYQOBIMUNTI-UHFFFAOYSA-N 286.444 4.997 30 10 CJEE N#C[C@@H]1CC=C(c2c[nH]c3c(Cl)cccc23)CC1 527400618 WOBXFPJEPJSNBJ-SNVBAGLBSA-N 256.736 4.528 30 10 CJEE C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccc(C#N)c1 611438608 HRLHMFQEAAOBOP-CWFSZBLJSA-N 290.410 4.545 30 10 CJEE C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)c1cccc(C#N)c1 611438609 HRLHMFQEAAOBOP-RYGJVYDSSA-N 290.410 4.545 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1c(C)cccc1C 617179017 WSCUCZYTWFBZES-SJORKVTESA-N 285.431 4.569 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](C)CC(C)C 686690651 FBWGXRBZQKAVNO-IAGOWNOFSA-N 251.458 4.621 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(Cl)c1C 686708735 OPHQTHUOZXBWHP-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CCCC[C@@](CC)(C[C@H](C#N)C1CCCCC1)C(=O)O 691688531 LTVIIPDQOMNWFV-WBVHZDCISA-N 279.424 4.768 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CNCCS1 703838917 ZYDYCUJDMFTQSO-QGZVFWFLSA-N 299.524 4.572 30 10 CJEE C=CCCC(C)(C)CNCc1cc(F)ccc1Cl 703999053 CRGGEYWZZZJSCO-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE Cc1cc(C#N)cc(Nc2cc(Cl)c(C)c(Cl)c2)n1 709676182 UEBRAQNUVXRXJS-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1cc(Br)cc(C#N)c1 710018291 MYNGJCWIAYLWGQ-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE C=C(CC)C[C@H](O)c1c(Cl)cccc1C(F)(F)F 712606376 IFEITFSSFRHQHW-NSHDSACASA-N 278.701 4.749 30 10 CJEE Cc1ccc(C(F)(F)F)cc1C(=O)C1=CC[C@H](C)CC1 713225156 FNPFXFZJPJMLRQ-JTQLQIEISA-N 282.305 4.943 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCC(C)(C)CO2)CC1 714100947 UICWMZFLCPMHOE-PQUAAJSLSA-N 280.452 4.757 30 10 CJEE C=CC[C@H](C)[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715705180 MCSIWIWYXOFDMD-JVULPWBXSA-N 261.453 4.523 30 10 CJEE C=CC[C@@H](C)[C@](C)(CNC(C)(C)C)c1ccccc1 715791562 YOCKRSYXZWLEDV-QAPCUYQASA-N 259.437 4.545 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1CCC(C(F)(F)F)CC1 715812807 IBLZCIQXNHWFAN-RYSNWHEDSA-N 277.374 4.545 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CCC3(CCC3)CO2)CC1 716307086 XYIRKPJVWQSQDS-OAHLLOKOSA-N 278.436 4.511 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H](C)COCc2ccccc2)C1 719594015 WRANXHBUCWIAIW-SCTDSRPQSA-N 288.431 4.625 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCc2ccns2)CC1 719895395 WBRGBHGNORDNNE-UHFFFAOYSA-N 276.449 4.822 30 10 CJEE C=C1CCC(CC(=O)c2cscc2Cl)CC1 724595693 VPRRXRPQGIZUMH-UHFFFAOYSA-N 254.782 4.721 30 10 CJEE C#CCCCNCc1ccc(-c2ccccc2Cl)s1 742385051 GNPIEPAUDRTWQV-UHFFFAOYSA-N 289.831 4.572 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1ccnc(O)c1)c1ccccc1 926856779 ZKJTYSNRYOEMFP-MAUKXSAKSA-N 296.414 4.535 30 10 CJEE O=[N+]([O-])c1cccc(N=Cc2c(Cl)cccc2Cl)c1 1083858969 RDSWFNRZDIBUKH-UHFFFAOYSA-N 295.125 4.652 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C)CCC[C@H]2C)CCCCC1 1126274195 VGGRHJKWHHGTKX-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=C(CNC(=O)[C@](C)(CC)CCCCC)c1ccccc1 1129587760 MQALMCCORLHULA-LJQANCHMSA-N 287.447 4.813 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 1156352625 NZAYJUHJNUQDDK-VQIMIIECSA-N 297.442 4.550 30 10 CJEE C=CCCN1CCC[C@H](Cc2csc3ccccc23)C1 1193103652 KUXMVBSKOAZCAC-OAHLLOKOSA-N 285.456 4.732 30 10 CJEE C=C[C@H]1CCCCN1Cc1ccc(N2CCCCC2)c(C)c1 1193943465 ZANNJMMWQOKMGW-IBGZPJMESA-N 298.474 4.526 30 10 CJEE 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C=CCCCCCCCC[C@@H](NCC)[C@H](O)CC(C)C 2207402373 BOPOWEVPVCHQAD-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE CCCCCCCC[C@@H](CN)N1CCC(CCC)CC1 2207446276 STAUMWGNFHSFDN-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C=C1CCC(C[C@H](N)[C@H](O)CCCCCCCC)CC1 2207456217 IUBULPULUQSAOM-ZWKOTPCHSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@H](NN)c1sc(C)cc1C 2218858349 IKMXABDIWGMZPP-CQSZACIVSA-N 268.470 4.620 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCSC1 2220081452 GDKLFGZAVZUUCR-CVEARBPZSA-N 269.498 4.634 30 10 CJEE C=CC[C@H](CC[C@@H](C)C(F)(F)F)CN[C@@H](C)CC 2223547374 NFJBNNSYXIBUND-FRRDWIJNSA-N 265.363 4.545 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1C[C@H]2CCC[C@H](C2)C1 2225324127 JURBFYRVBPXKHX-BJWYYQGGSA-N 263.469 4.785 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cc2ccccc2s1 2226323355 YBZGDFRPGHLWED-UKRRQHHQSA-N 271.429 4.600 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1CCC[C@H](C)O1 2226907943 YKUTVYKNIPUSRR-ULQDDVLXSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCC[C@@H](N)Cc1ccc(C)cc1 2227274246 JVVLCXVVBBURRC-GOSISDBHSA-N 259.437 4.782 30 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30 10 CJEE C=CCCCCCCCCCN(C)C[C@@H]1CC[C@@H]1OC 2236161551 JZXVAZDWANNLHC-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC1(C)CC2(CC(F)(F)C2)C1 2239166356 MIIHSKMWBWPANI-CZUORRHYSA-N 284.390 4.988 30 10 CJEE N[C@@]1(C#Cc2cccc(Cl)c2)CCC2(CCCCC2)C1 2239460283 WXCLVTZEQPGBMF-SFHVURJKSA-N 287.834 4.523 30 10 CJEE C=C[C@@H](CCCCC)OCC1(CN[C@@H](C)CC)CCC1 2239490653 SSUYDFBBZVUWLZ-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC2(CC2)[C@@H]1N 2239493717 VZLUKLZGFGMKBR-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE CCCCCCCCCCCOCCc1c[nH]c(=N)s1 2239548065 CGZGNLTWZQBISO-UHFFFAOYSA-N 298.496 4.646 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(F)c(C)n1 2239567861 SJJPJGVUXFAXSQ-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE C=C(C)CCCC[C@H](N)c1scc(C)c1Cl 2244630536 UMMCZHPMKQZOPF-NSHDSACASA-N 257.830 4.846 30 10 CJEE SCCCCCCCSc1ccc(Cl)cn1 2245901847 VAFHDLNXDPJZNP-UHFFFAOYSA-N 275.870 4.707 30 10 CJEE C=C(C)CCCCC[C@@H](N)c1cccc(Br)c1 2250180403 AHKUQSHUBFFYCD-OAHLLOKOSA-N 296.252 4.976 30 10 CJEE C=C(C)CCCCN[C@@H](CCC)c1cccs1 2250187994 KSRGQBLVPXYENG-AWEZNQCLSA-N 251.439 4.925 30 10 CJEE CCCCCCCC[C@H](O)C1CC2(CC(C)C2)C1 2254456621 XWLULYNTMJRKNM-PYCMUAIMSA-N 252.442 4.924 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@@]1(C#N)CCC[C@@H](C)C1 2259078263 WMIJGNMFMUHPJQ-IIAWOOMASA-N 251.414 4.548 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc2sccc2s1 2261017053 UNUQIHUNGNFDLP-GFCCVEGCSA-N 276.426 4.580 30 10 CJEE CCCCCCCN1CCC(SC(F)(F)F)CC1 2261209549 AZQZAJBKFTUYAQ-UHFFFAOYSA-N 283.403 4.674 30 10 CJEE C=C(C)CCCC[C@H]1CCC(C)(C)[C@H]1NCCC 2261424950 OHASVMHHKXGZEL-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)CCC)OCCN 2263025855 AFNFZDZDOOFUAL-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE SCCCCCCCN(Cc1ccsc1)C1CC1 2263208237 RJHBOXXOFFVBHD-UHFFFAOYSA-N 283.506 4.593 30 10 CJEE CCCCCCCCCCO[C@H]1CCC[C@@]1(C)CN 2271280103 LUTMFNAZKGIKFN-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C=CCCCSc1c(F)cccc1CNCC(C)C 2271595893 CPIDDJYMAKSQED-UHFFFAOYSA-N 281.440 4.630 30 10 CJEE CC1(CS[C@H]2CCCC[C@@H]2C#N)CC(C(F)(F)F)C1 2271718831 XVDGFQHYCBQKIN-IGJPJIBNSA-N 291.382 4.781 30 10 CJEE C=C(C)CCCCC(=O)c1nccc2ccccc12 2271746235 ZXMLWUPPXMHHKA-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE C=C(C)CCCC[C@@H](O)CCCCCCCCCN 2271759463 VAJGMHRVCTVGPZ-KRWDZBQOSA-N 269.473 4.563 30 10 CJEE C=C[C@@H](C)CCNCc1ccc(C(F)(F)F)c(Cl)c1 2273235335 UAPQWCYJXDUJJX-SNVBAGLBSA-N 291.744 4.661 30 10 CJEE CCCC[C@@H](CC)[C@H](C#CC1CCCCC1)NCC 2274059052 HZDSMMLHHHPCCD-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1cccc(C(C)(C)C)c1 2274438829 RDOZEYYKUSDFCY-KDOFPFPSSA-N 258.405 4.532 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@H](C)CC 2276671238 VCQJEBSMGNWYHX-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C1(C)CCC1 2276781713 IVELQBUPZMEUMP-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@@H](C(C)(C)C)O1 2278127010 KGRSFIKWQOOKHK-RDJZCZTQSA-N 269.473 4.878 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2CC(F)(F)C23CCC3)C1 2280871218 PFYGUCLUBSWLHJ-CABCVRRESA-N 283.406 4.536 30 10 CJEE Cc1cc(C)cc([C@](C)(O)CC=CC#CC(C)(C)C)c1 2284074981 CEIOBHBNKWNMSY-LJQANCHMSA-N 270.416 4.507 30 10 CJEE CC(C)NC[C@]1(CC=CC#CC(C)(C)C)CC[C@H](C)C1 2284077979 VCDLLUPZYQAVKI-PKOBYXMFSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1ccccc1C1CC1 2284087445 DRABRJRDGGMWTM-SFHVURJKSA-N 267.416 4.560 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)C1(C)CC=CC1 2284087844 GZJMGGWKYDGLJR-QGZVFWFLSA-N 273.464 4.707 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1ccc2occc2c1 2284092833 QMCVMFSRTQBDKE-UHFFFAOYSA-N 266.340 4.611 30 10 CJEE C=CCCCCCCCSc1ccc(N)c(C(=O)O)c1 2287077288 DDWJQXCXPDLSEQ-UHFFFAOYSA-N 293.432 4.586 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1C=CC(=O)O 2287417796 HCCKSCOGWOVKAM-UHFFFAOYSA-N 294.778 4.563 30 10 CJEE C=C[C@H](CCCCC)OCC[C@@H]1CCCC[C@H]1NCC 2288870173 QLEQJWJFMWYHLC-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE C=C[C@@H](C)CCN(C)CC1(c2ccccc2)CCCC1 2288898825 ZGGOPAOUXJFARM-QGZVFWFLSA-N 271.448 4.642 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(C)c(Cl)c1 2289700910 RFPGJJRVOBCJRZ-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H]1CCC[C@@H](C)CC1 2289701880 BVTCYJJCEBGUNE-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1cccc(C)c1C 2289710133 IXPXYEYRHKHVNC-LJQANCHMSA-N 269.432 4.538 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc2cc(F)ccc2s1 2289773681 XGBAYTVAFWXROL-HNNXBMFYSA-N 288.387 4.658 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2290286363 BFFVKJOAMBYALI-HNAYVOBHSA-N 272.432 4.922 30 10 CJEE C=C(C)CCC1(OCCC(=O)O)CCCCCCCC1 2291453309 OXZAOMHANCLYQY-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCCC(C)(C)C1 2292433257 IXGVZUTWOQDTFT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CCC[C@@H](C)[C@H]1C 2292773141 WFLKWYCVDZIDAG-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1[C@H]2CCC[C@H]21 2292998963 BUIJFHOBOQRHJR-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@](CCC(C)C)(OCCCN)C1CC1 2293269633 UAHMTBJOIFRIQV-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCCCC12CC2 2293293795 HXLZYXUWWDADBO-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@@H](CC1=CCCCC1)OCCN 2293805693 TZPIXPAQRFZQTI-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CC=CCC1)OCCN 2294063906 WXZWRNAEUDODME-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C([C@](CCC)(OCCCN)C1CCCC1)[Si](C)(C)C 2294331207 PNFXZQKAKZPUTG-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE C=C([C@@H](CCC1CCCCC1)OCCCN)[Si](C)(C)C 2294332483 WHEKRNLQFZRPPQ-QGZVFWFLSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cnc(F)cc1C 2295582272 AZDNOXIKZBPQRH-QGZVFWFLSA-N 281.415 4.877 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(NC1CC1)C(C)C 2295712412 WYAYXZLOQHHVEC-NVXWUHKLSA-N 296.524 4.606 30 10 CJEE CCCC[C@@H](CC)CSCCOc1ccccc1C#N 2295794519 HFXDONJSGKOTDL-OAHLLOKOSA-N 291.460 4.887 30 10 CJEE C=C(C)CC(=CC(C)(C)OC[C@@H]1CO1)[Si](C)(CC)CC 2297532452 APKMOUKSGRCMDB-HNNXBMFYSA-N 296.527 4.731 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc(Br)ccc1C 2301067025 VVYUSAOFMGFVMD-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccsc1C 2304022540 SHNBQQPDKXLTJY-CQSZACIVSA-N 251.439 4.700 30 10 CJEE CC(C)C[C@H](CS)CSCC12CCC(CC1)C2 2308059367 BTRUPLNAXCQIIN-SHARSMKWSA-N 272.523 4.892 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@]12CCC[C@@H]1C2 2308101517 AXNHGAYILFEDDC-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCCCCCCN1CCCC(F)(F)C1(C)C 2315355945 VNFCXACXIBRVTM-UHFFFAOYSA-N 259.384 4.633 30 10 CJEE C=CCON=C(CC)c1ccc(-c2ccccc2)cc1 2318633343 XXXDUYAFKWLIOV-UHFFFAOYSA-N 265.356 4.670 30 10 CJEE C=CCCCCCNCCc1cc(Cl)cc(Cl)c1 2318676989 IXLDNPNURBXRIN-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCCC[C@H]2C[C@@H]21 2319427938 PPPZLWRFESNRCX-YESZJQIVSA-N 251.458 4.857 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CCCCC1)NCC 2321103356 YVOINPSYQOSTJY-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE Cc1cc(Cl)c([C@H](O)C#CC2CCCC2)c(Cl)c1 2327898337 HGLZJIMDQHOKON-CQSZACIVSA-N 283.198 4.529 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC[C@H](C)[C@@H](NCCC)C1 2335097689 AWCSBCXTKGZQCF-UAGQMJEPSA-N 281.509 4.797 30 10 CJEE C=CCCCCC[C@H](N)c1c(F)cc(OC)cc1Cl 2338715257 PJGTZYZWGPEHCI-AWEZNQCLSA-N 285.790 4.624 30 10 CJEE C=CCC(CC=C)N(C)CC[C@H]1CCCCC12CC2 2338736430 UKZFRHYUCKICAI-MRXNPFEDSA-N 261.453 4.800 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1[C@H]2CCCC[C@H]21 2338738167 KJBVMEFKMNKQQL-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE C=C[C@@](C)(CNC1CC1)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338989596 DEAFFDRZZHTEQF-LISAXSMJSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@H](O)C(=O)[C@H](C)[C@@H](C)C(C)C 2340126141 NTBHQSSZCIHUCE-XHSDSOJGSA-N 270.457 4.595 30 10 CJEE CC1=C(C)C[C@H](C[C@@](C)(C=O)c2ccccc2)CC1 2343443859 HPVFXHMGMYJXQX-AEFFLSMTSA-N 256.389 4.670 30 10 CJEE N#CC1(Cc2cccc(C3CCC3)c2)CCCCC1 2343808519 HTOXVBSZUJGPAD-UHFFFAOYSA-N 253.389 4.971 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@H]2C[C@@H]2C1)NCC 2344337543 RKYMXLHNRAKDPY-FPSMNIFISA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C=Cc1ccccc1)NCC 2344345364 WBGHTOQRALBPKR-MSOLQXFVSA-N 257.421 4.670 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccccc1CSC 2344347156 ZLGWMFKPXQXCHC-RHSMWYFYSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)C1CC2(C1)CC(C)(C)C2 2344347181 ZNXOTKGGYCBELP-WBVHZDCISA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CC12CCC(CC1)CC2)NCCC 2344368191 AWDPZZAICNOPAD-ZLZJIPBDSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CCCC(F)(F)C1 2344371943 OFJQWUXBHIFWHU-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccccc1OCCC 2344458795 BOIIXRZBPVROBX-DLBZAZTESA-N 262.393 4.501 30 10 CJEE C=CC[C@H](C)SC1(C(=O)O)CC2(CCCCCC2)C1 2352006361 NIWARDMGRVFHMP-ZDUSSCGKSA-N 282.449 4.642 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](O)[C@@H]1C[C@H]1CCC 2357782316 OWKQLXBHDQOQGM-BRSBDYLESA-N 283.500 4.512 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](O)C1[C@H](C)[C@H]1C 2358321459 RUXFJEKIYMNNGK-IIDMSEBBSA-N 280.452 4.515 30 10 CJEE C=CC[C@@H](C)Sc1c(CNC2CCC2)ccc(F)c1F 2360375858 CRUUOPVFXRRGIE-LLVKDONJSA-N 297.414 4.664 30 10 CJEE CC(C)(C#N)c1ccc(NCCCc2ccccc2)cc1 36922147 CSNQVFSPFZXSNI-UHFFFAOYSA-N 278.399 4.532 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](c1cccs1)N(C)C 59090300 RLLGIJCTZAZTFC-JKSUJKDBSA-N 296.524 4.689 30 10 CJEE CCCCCCCCCn1nc(C)c(CNC(C)C)c1C 59402258 YQDNYFFWMSNMEH-UHFFFAOYSA-N 293.499 4.749 30 10 CJEE CCCCCCCCOCC(=O)c1cc(C)n(CC)c1C 59526407 XPOVIWAIAGSEID-UHFFFAOYSA-N 293.451 4.685 30 10 CJEE CCc1ccc(-c2cc(CC#N)c(CC)s2)cc1 77096369 OCXUJPOYEKUMPK-UHFFFAOYSA-N 255.386 4.606 30 10 CJEE Cc1ccc(N/N=C/c2ccc(C(C)C)cc2)cc1 82252308 RCZZTFSHNXTXMQ-LDADJPATSA-N 252.361 4.564 30 10 CJEE CCCCCOc1ccc(C(=O)/C=C/c2ccco2)cc1 83204806 QZLSSMWAXJQYFJ-VAWYXSNFSA-N 284.355 4.745 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)c(C)c1 91882523 RFPUEDBZAWVRIW-CUYAVPTFSA-N 285.431 4.693 30 10 CJEE CC[C@H](CS)CSc1cccc(C(F)(F)F)c1 94589325 ZNASFQHMYHRMEO-SECBINFHSA-N 280.380 4.754 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1[C@@H](C)O 105100375 HMLUDZTVJISIBE-HUUCEWRRSA-N 263.425 4.901 30 10 CJEE CCCCCCCCCCN(C)C1(CN)CCC(C)CC1 110106574 RRODZLHRKFIJHY-UHFFFAOYSA-N 296.543 4.967 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(F)cc1C#N 111036681 BLKBOLLEIFWICO-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCCCCC[C@@H](CC1CCC1)NN 123308461 RFXDFVVIYBCIGH-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCC[C@H](CCCC(F)(F)F)NN 124434245 KWPBJUOARYJIBN-CYBMUJFWSA-N 282.394 4.692 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](CC)OC 124448873 VKYWCHIARGFKBW-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(F)c(C)c1 125667284 NXXVMROMGXQFBL-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCCCCCCCOc1cc(Cl)ncc1C 133466271 DMWHJOMEZJTGEK-UHFFFAOYSA-N 255.789 4.783 30 10 CJEE CCCCCCCC1(CNC(C)C)C[C@@H]2C[C@@H]2C1 157483293 XAOYRACXQVBOFK-SJPCQFCGSA-N 251.458 4.761 30 10 CJEE N#CC1(Cc2cccc(F)c2Br)CCCCC1 157838642 BODYPMHIXBEPAM-UHFFFAOYSA-N 296.183 4.605 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CCCCO1 157878458 YAIHJONHMWQIGZ-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1F 158027942 MLLMSVKQQKBATE-CQSZACIVSA-N 275.770 4.979 30 10 CJEE CCCCCCCCN[C@H]1CCOC2(CCCCC2)C1 159272424 VRAWXFYMEGVVQS-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)CCSCC 159990405 PADZNLWZFIRHIR-CABCVRRESA-N 259.503 4.857 30 10 CJEE C=CC[C@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 162642910 GRZFLAJSHRSXSB-IINYFYTJSA-N 272.219 4.999 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1C 163908068 FCMUARGYZPOPKZ-RWSFTLGLSA-N 296.336 4.814 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(OC)c(F)c1 164643663 NLGJYGVHAVYXCM-UHFFFAOYSA-N 280.383 4.697 30 10 CJEE CCCCCCCC[C@@]1(CNCC)CCO[C@H]1C1CC1 166221681 YURXEHLRCOHWJY-ROUUACIJSA-N 281.484 4.532 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 185809809 UVLAZJBJYIMZDI-LBPRGKRZSA-N 299.336 4.722 30 10 CJEE Cc1ccc(C(=C2CCCC2=O)c2ccc(C)cc2)cc1 196353575 ZAMIQEUSRQPWMS-UHFFFAOYSA-N 276.379 4.858 30 10 CJEE CCCCCCCCNCCCCc1ccccc1 228442006 FVJDAKPLUMZEHW-UHFFFAOYSA-N 261.453 4.959 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(F)cc1Cl 232515112 YQRPPWUEPLXASF-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE CC(C)[C@@H](C)Sc1ccc(CNC(C)(C)C)cc1C#N 232821391 BTUQBBYFRCNTCW-CYBMUJFWSA-N 290.476 4.583 30 10 CJEE C=CCCCCC[C@H](CC[C@H]1CCCCO1)NCCC 233163446 PKVSEQPLZSWETG-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCC[C@@H](NC)c1ncc(Cl)cc1Cl 234463584 OUEKQNROUKOFIF-CYBMUJFWSA-N 287.234 4.785 30 10 CJEE N#Cc1sccc1-c1cc(Cl)ccc1Cl 238504791 SCTIRUVMVKTZQV-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccc3ccccc3n2)s1 255094835 YCWCJMIMVWXCNZ-KTKRTIGZSA-N 279.364 4.501 30 10 CJEE C=CCCCCCSc1cccc([C@@H](C)NC)c1 300256480 GVYSZOGFDRTIGU-CQSZACIVSA-N 263.450 4.806 30 10 CJEE CC(C)(C)c1cc(CC#N)ccc1OCc1ccccc1 309852080 BDNLAMFDEYUOPD-UHFFFAOYSA-N 279.383 4.629 30 10 CJEE Fc1cc(Cl)ccc1OCC1(CS)CCCCC1 310690761 XFPWYYWSNJVIJQ-UHFFFAOYSA-N 288.815 4.738 30 10 CJEE C=CCCCCCCN[C@H]1CCCc2sccc21 310950334 QYRCDDJKLJJFQH-HNNXBMFYSA-N 263.450 4.852 30 10 CJEE N#Cc1cc(N[C@H]2CCCC23CCCCC3)ccc1F 313020368 XMASSWJQKKSOBP-INIZCTEOSA-N 272.367 4.612 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@]2(C)CCC[C@@]2(C)O)CC1 313163730 PBTBYLYRKFHQOA-FZBQFSLMSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCC[C@](C=O)(CC/C=C\c2ccccc2)C1 317367613 GMSDYTKOOIIFLN-WYUIPADVSA-N 256.389 4.875 30 10 CJEE C=CCCC[C@]1(CNCCC)CCC[C@H](CC)C1 317796677 GGQGTDHMILOPDA-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCCC[C@H]1C 318592971 YPDFMSHJUJUMCI-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE C=CCCCCCOc1cccc(/C=C/C(=O)O)c1Cl 328502036 XUQABXNKQGCDSP-ZHACJKMWSA-N 294.778 4.563 30 10 CJEE CCCCCCCCCCNC[C@H](OC)[C@@H](C)CC 381323451 XAECGURXKNWJQY-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE C[C@H](CCS)CCN(Cc1ccccc1)[C@@H](C)C1CC1 385858099 IMCADPLJLRLHBU-HOTGVXAUSA-N 291.504 4.633 30 10 CJEE C=C([C@@H](NCCC)C1CCC(C)(C)CC1)C(F)(F)F 388914431 VWJHBYREGUVDIV-CYBMUJFWSA-N 277.374 4.690 30 10 CJEE CC1(C)OB(/C=C2\CCCC[C@@H]2c2ccccc2)OC1(C)C 396629831 FKBMBJQLTFYPLM-FYPAKXHLSA-N 298.235 4.902 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1CCCCC1(F)F 400493959 DYFUYZMFVBTGJM-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C[C@]1(c2c(Cl)cccc2Cl)CCC[C@H](CC#N)O1 400826090 UOTBODDBZLVULL-QMTHXVAHSA-N 284.186 4.691 30 10 CJEE C[C@@](C#N)(CCCCc1ccccc1)c1ccccc1 405682806 UMDFGDZMKQYOLX-IBGZPJMESA-N 263.384 4.881 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(C)[C@H](c1ccccc1C)C(C)C 466433387 BUCCFXQJEITULQ-AEFFLSMTSA-N 287.447 4.753 30 10 CJEE C=CC(=O)c1ccc(-c2ccc(CCC)cc2)cc1 575359197 YUARSNGNEVKFQO-UHFFFAOYSA-N 250.341 4.675 30 10 CJEE C[C@H](CC1CCCCC1)/N=C1/N[C@@H]2CCCC[C@H]2CS1 694632564 CBJYBNQYVZQQCC-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE CCCCCCCNc1ccc(Cl)cc1C#N 695660944 PLZJRLMNCULQRV-UHFFFAOYSA-N 250.773 4.594 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)[C@@]1(C)CC[C@@H](C)C1(C)C 698984427 BENKKIUIGOYINU-GPMSIDNRSA-N 277.496 4.867 30 10 CJEE CCCCCCCCOCc1ccc(C)c(C(=O)O)c1 701819008 YFEGPWCLDBWTLQ-UHFFFAOYSA-N 278.392 4.570 30 10 CJEE C=CC(C)(C)CCn1c(S)nc2cccc(Cl)c21 701871341 IFAOSFRUJJHTIK-UHFFFAOYSA-N 280.824 4.581 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(C(F)(F)F)cc1 703955575 UWQRBDGFRQWLKE-UHFFFAOYSA-N 285.353 4.787 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(C(F)F)c1 703995641 KIBGMXCAKNWBGB-UHFFFAOYSA-N 267.363 4.706 30 10 CJEE CCCCCCCCCCC(=O)c1nc(C)c(C)[nH]1 704199928 WLYCGRPWUDYLSS-UHFFFAOYSA-N 264.413 4.740 30 10 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O=C(C1=Cc2ccccc2C1)c1cccc(Cl)c1Cl 2088987398 JFIGMIJREITXEE-UHFFFAOYSA-N 289.161 4.816 30 10 CJEE C=CCCC[C@@H](NCC)c1ccccc1CC(C)C 2089360433 XHUZKYBQKKIAAL-GOSISDBHSA-N 259.437 4.892 30 10 CJEE CCCCCCC[C@H](O)C(=O)CC1(C)CCCCC1 2090889408 KXZRASRYWBJOSG-HNNXBMFYSA-N 268.441 4.637 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)[C@@H](C)C(C)C 2091021254 OSXHYIOVAVLXLY-DOTOQJQBSA-N 270.457 4.739 30 10 CJEE N#C[C@]1(C[C@@H]2CCC[C@H]2C(F)(F)F)C[C@H]2CC[C@H]1C2 2092674997 OPKXCAKUHNIPHC-QSLWVIQJSA-N 271.326 4.685 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CCC(F)CC2)CC1 2092997142 JSJWRXICRUARDS-JCYILVPMSA-N 267.432 4.629 30 10 CJEE N#CC1(Nc2ccc(Cl)cc2)CC(C2CCCC2)C1 2094873389 FRZKEGLKPSCUSL-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE CCCCCCCCC[C@H](O)c1csc2cncn12 2094876144 MFJFIBFFZAINNX-AWEZNQCLSA-N 280.437 4.570 30 10 CJEE C=C([C@@H](NC)C1(C(F)(F)F)CCCCC1)C(C)(C)C 2096620869 JITFCHKZGXEGOM-GFCCVEGCSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](N)c2cc(C)c(C)cc2C)CC1 2098442971 SWQJZBCYXWQYHO-GOSISDBHSA-N 257.421 4.748 30 10 CJEE C=C[C@@](N)(c1ccc(C)c2ccccc12)C(C)(C)C 2098448175 PFQKJGYBMPMLTP-GOSISDBHSA-N 253.389 4.534 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(F)cc1C 2102102228 BJFHIBNNOYMWPZ-GUYCJALGSA-N 263.400 4.777 30 10 CJEE C=CCC[C@H](C)C[C@H](CNC1CC1)c1ccccc1 2102104432 LSFSGGJFYPZUKQ-DOTOQJQBSA-N 257.421 4.515 30 10 CJEE C=C1CC(CNC(C)(C)C)([C@H]2C=CCCCCC2)C1 2103348920 VMLOCAPIGBXOPG-INIZCTEOSA-N 261.453 4.847 30 10 CJEE C=C1CCC(C[C@]2(CNC(C)C)CC=CCC2)CC1 2103900330 ZKNWLMAWYKORLB-SFHVURJKSA-N 261.453 4.847 30 10 CJEE CCCCCc1ccc(NC[C@@H](C#N)C(C)C)cc1 2104182434 CHZUYMILLRRQBD-MRXNPFEDSA-N 258.409 4.627 30 10 CJEE CCCCCCC[C@@H](C)NC1CCC(C)(OC)CC1 2105180859 XBWNOKUEPCEMMV-KLAILNCOSA-N 269.473 4.673 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc([C@@H]2C[C@H]2C)o1 2107944439 BTQQKXMMCKQDHT-KFWWJZLASA-N 261.409 4.800 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1nc(C2CC2)cs1 2107964571 GBWFLYFDSZKHPB-IUODEOHRSA-N 278.465 4.664 30 10 CJEE CCCC[C@](C#N)(CC)C[C@@H]1CCC2(CCC2)CO1 2108208849 OHKYFYPSOIEMLH-JKSUJKDBSA-N 263.425 4.836 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(F)c(Cl)c1 2108214642 XITBYXWIRULOMD-HUUCEWRRSA-N 283.774 4.623 30 10 CJEE C=C([C@@H](NCCC)[C@@H]1[C@H]2CCCCC[C@H]21)[Si](C)(C)C 2110947515 UHPAUFSEDZGSFY-LTIDMASMSA-N 279.544 4.615 30 10 CJEE C#CC(C)(C)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2111311450 BMVUAXNQWAWIAQ-CYBMUJFWSA-N 298.257 4.564 30 10 CJEE CN(CCCCCCS)C[C@]1(C)CCCCC1(F)F 2111627715 AERCGVZSNKZZMM-AWEZNQCLSA-N 293.467 4.624 30 10 CJEE C=CC1(C[C@H](N)c2ccc(C(C)(C)C)cc2)CCC1 2111719255 BZEXHIZAJCPHNI-INIZCTEOSA-N 257.421 4.730 30 10 CJEE SC[C@@H](CN1CCCC[C@H]1c1cccs1)C1CCC1 2115181081 KHQHVDFFXKXBPS-CABCVRRESA-N 295.517 4.621 30 10 CJEE CCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1NCCC 2116375485 HVSDGJCYEDYKHK-GPMSIDNRSA-N 287.428 4.728 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2cc(F)ccc2o1 2116481796 FOBGSZVTGQHJMD-CQSZACIVSA-N 261.340 4.579 30 10 CJEE C#CCCCC[C@@H](NCCC)[C@@H](C)C1CCCCC1 2116841676 CBTKVWQEFCPGQI-FUHWJXTLSA-N 263.469 4.765 30 10 CJEE C#CCCCC[C@@H](NCCC)c1cc(Cl)ccc1C 2116843031 RCJCJPYIDDMBRY-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@H]1C[C@@H]1c1ccccc1 2117010155 IALYIZOOCCAISL-NUJGCVRESA-N 253.389 4.900 30 10 CJEE Cc1ccc(C)c(C[C@@]2(C=O)CCCCC2(C)C)c1 2117034800 ZJSJHHLOAXLLMB-GOSISDBHSA-N 258.405 4.631 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)C[C@H](CS)C(C)(C)C 2119962435 YCUOZBMXBDHCED-OAGGEKHMSA-N 285.541 4.583 30 10 CJEE C=C([C@H](NCC)C1(C)CCC2(CC2)CC1)[Si](C)(C)C 2120095944 MOCZNVBNGYMREE-HNNXBMFYSA-N 279.544 4.759 30 10 CJEE CCCCCCCO[C@@H]1CC[C@H](NCCC)[C@@H]1CC 2122606543 CSDOUXXOIBLPCM-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCC1(CC)CC(O)(C2(C#N)CCCCCCC2)C1 2122734911 BFARJCJXKDGYQH-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@H]2CCC[C@H](F)C2)CC1 2125177177 GKNBKBWHOULJNC-ZNMIVQPWSA-N 266.400 4.856 30 10 CJEE CC1(C)CC=C(C(=O)C(C)(C)c2ccccc2)CC1 2125221137 VOIGETNMDIRKMV-UHFFFAOYSA-N 256.389 4.670 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1CC(=C2CCC2)C1 2125727138 PJEPTDIDVNABOF-AEFFLSMTSA-N 259.437 4.601 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc(C)cc(F)c2)C1 2125730020 ZDBFMIKJWZRLHD-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE CO[C@H]1CCC[C@](C#N)(Cc2ccc(Cl)cc2Cl)C1 2126407235 DDOKHTXALSRTKQ-ZFWWWQNUSA-N 298.213 4.635 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NC)CC(C)(C)C1 2127173707 PENVZEUQZVKHJX-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CCCC(C)(C)CN[C@H]1c2ccccc2C[C@@H]1C 2129017597 ZJLKQPIBVYIFDH-WMLDXEAASA-N 257.421 4.502 30 10 CJEE CCCCCCCCC[C@H](CC#C[Si](C)(C)C)NC 2130936682 XSRGNRWOLWYFMV-QGZVFWFLSA-N 281.560 4.986 30 10 CJEE C#CC[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CC1 2132067193 ZUBBQQIVXXCHEO-CVEARBPZSA-N 296.241 4.836 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H]1C[C@H]1c1ccccc1 2135322881 IIVBMLYVYUSCEL-RCCFBDPRSA-N 259.437 4.739 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](C)CNCC(C)C 2137844030 OERCZMHPCAUJEM-DLBZAZTESA-N 271.489 4.634 30 10 CJEE C=C1CC([C@@H](C[C@H]2CCCC(C)(C)C2)NCCC)C1 2138379966 KEIKAMPERUDFFE-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE CCCCCC#CC[C@@]1(O)CCCC[C@H]1C(C)(C)C 2138946865 IHBWHIYHCAKENV-FUHWJXTLSA-N 264.453 4.928 30 10 CJEE CCCCCC#CC[C@]1(C(=O)O)CCC=CCCC1 2138947877 HJKZOWDXYDOBKR-KRWDZBQOSA-N 262.393 4.552 30 10 CJEE CCCCCC#CC[C@H](N)CSc1ccc(Cl)cc1 2138962816 IOSRUWIGSVSNMK-HNNXBMFYSA-N 295.879 4.733 30 10 CJEE CCCCCC#CC[C@](C)(N)c1ccc(Cl)cc1F 2138980459 DATZYPDMUUIMHZ-INIZCTEOSA-N 281.802 4.627 30 10 CJEE CCCCC#CC[C@@H]1CCCCC[C@H]1CNCCC 2138992519 BNVWLHQBASWQGR-MSOLQXFVSA-N 263.469 4.766 30 10 CJEE C=CCCCCCC[C@@H](NC)c1c(C)oc(C)c1C 2141911844 UBJTVZNXFKSNDZ-MRXNPFEDSA-N 263.425 4.992 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1cscc1OC 2141921523 BHVKPLLEQMYNBB-OAHLLOKOSA-N 281.465 4.934 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2141924687 WWKWFPDJRPFZRZ-NXOAAHMSSA-N 264.453 4.946 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCC[C@]1(C)N 2142429140 XSOCOURKDLCKEX-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CC[C@H](C)C[C@@H](C)N=C1N[C@H](C2CCCCC2)CCS1 2143553818 BRYOVLASLDQUKG-LZWOXQAQSA-N 296.524 4.843 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CC1CCCC1)NCCC 2147595528 NPJNDNHQKPTUHT-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](N)[C@](C)(O)CC1CCCCC1 2148591836 QHHBJGYKNJZDLB-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](O)[C@@]1(C)C[C@H]1C 2148597767 ZPKBKPYCEDHUEK-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@]1(O)CC[C@H]1C 2148606116 YXGRPJXVAGPUEK-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](O)C1CC(C)(C)C1 2148618821 MATCPOLFDWWYQM-IRXDYDNUSA-N 283.500 4.512 30 10 CJEE Cc1ccc(C#N)c(Nc2ccccc2C2(C)CC2)c1 2149594474 ASQXWEHNQQMBJI-UHFFFAOYSA-N 262.356 4.662 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149740854 OIBADFIFZKAEAM-RUZUBIRVSA-N 288.822 4.694 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)C(C(C)C)C(C)C 2149851693 WPMMBFQSUXRBTR-SFHVURJKSA-N 277.496 4.867 30 10 CJEE O[C@@H](CC#CC1CCCCC1)c1ccccc1C1CC1 2149868774 CCDJVFGEJMVPPD-IBGZPJMESA-N 268.400 4.571 30 10 CJEE CC(C)C1(Nc2ccc(C(F)(F)F)cc2C#N)CCC1 2150449298 BFEWETGJOLVXIL-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](c1ccccc1)c1ccco1 2152866618 VBXCAWRHNZPWQZ-QAPCUYQASA-N 269.388 4.703 30 10 CJEE CCCCCCCCC[C@@H](O)c1coc(C(F)(F)F)n1 2153547733 MNLIOQOVNQLTOM-GFCCVEGCSA-N 293.329 4.868 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCCCC23CCC3)CC1 2154085121 XGUUWVUUOGNAJD-VMWRSERWSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](O)(CC)CC1CC1 2155886097 QFQKASFHEZVLPW-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CCCC2(CCCCC2)C1 2158594268 YSIMQRPOASVQPY-MRXNPFEDSA-N 276.468 4.799 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@@]1(C)CC=CCC1 2160097463 PJMINCAHOSYEEO-MOPGFXCFSA-N 273.464 4.685 30 10 CJEE CCCCCCC[C@@H](NCC)c1nc(C(C)(C)C)ns1 2163447407 PYRRVMBRKQBQCR-CYBMUJFWSA-N 297.512 4.847 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CC3(CCCC3)CO2)CC1 2166215436 MMRDDOLKOFBWRD-HNNXBMFYSA-N 275.436 4.836 30 10 CJEE C#CC(C)(C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 2167603381 ITVCJJDDCJJHSS-KSZLIROESA-N 277.496 4.868 30 10 CJEE C=C(CNCC[C@H](C(F)F)C(C)(C)C)c1ccccc1 2167706579 ITGGTKGTWUTJRA-OAHLLOKOSA-N 281.390 4.607 30 10 CJEE C=CC1(C[C@](C)(O)c2ccc(C(C)(C)C)cc2)CCC1 2168031596 RFXSNFBYNKLMPS-SFHVURJKSA-N 272.432 4.938 30 10 CJEE CC(C)C1CCC([C@@](C)(C#N)Nc2ccccc2)CC1 2168392981 BQWKMJWFWADAGL-LEOMRAHMSA-N 270.420 4.843 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)C[C@@H](CS)C1CCC1 2168525477 DPSXOSYDVXMJOH-PVAVHDDUSA-N 297.552 4.869 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)C2(C)CCCCCC2)C1 2168543380 XUUGKSILULUCNH-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCC[C@H]([C@@H](C)N=C2N[C@@H](C(C)(C)C)CCS2)C1 2168620036 VMGQUFJIZJNGBN-APIJFGDWSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCO[C@H]1CCNC2(CCC2)C1 2169929955 MOHUHMGELPSDBL-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE N#CC[C@@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1 2170027938 YPDQNTSPQAUVIN-SJORKVTESA-N 282.412 4.540 30 10 CJEE CCCCCCCCO[C@H]1CC2(CC[C@H]1NCC)CC2 2171361100 DWHVIAMYEKBFHH-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=CC[C@H]1CCCCN1C[C@@H]1CC12CCC(F)(F)CC2 2178453040 NRYJDTAODKGLKW-GJZGRUSLSA-N 283.406 4.633 30 10 CJEE CCCCCCCCCCNc1cn(C)nc1C(F)F 2178713068 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C#CC[C@H](C[C@H](C[C@@H](CC)C(C)(C)C)NCC)C1CC1 2196853060 FUNQSTFNIAFGPH-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@@]1(C)CC[C@@H](C)C1(C)C 2197140361 SJJOHYTXNGYPBQ-DKSSEZFCSA-N 271.448 4.750 30 10 CJEE CC#CCCCC[C@H](NC)[C@H]1C[C@@H]1C1CCCCCC1 2200166545 AQPAVTYTIOEUPZ-QYZOEREBSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H](OCC)C(C)(C)C 2206898921 JQUNQQFYODCWPR-IRXDYDNUSA-N 283.500 4.942 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@](C)(O)C(C)(C)C 2206902259 IISCSBYJRDOWRO-FUHWJXTLSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](O)c1cccs1 2207392574 RIDJRKCVYYMQRK-DOTOQJQBSA-N 295.492 4.676 30 10 CJEE C=CCCCCCCCCC[C@@H](CC1CC(C)C1)NN 2207396438 LGPGXUHVDHLTIG-ABHNRTSZSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCCC[C@H](N)C1(O)CCCCCC1 2207428256 WJXJSJWAOWGGPP-KRWDZBQOSA-N 281.484 4.706 30 10 CJEE CC1(C)C[C@@]1(Cl)C[C@]1(C#N)CCCCC12CC2 2216106427 JJXOWJMXFPVYSV-LSDHHAIUSA-N 251.801 4.648 30 10 CJEE SCC1(CSc2nc(-c3ccccc3)cs2)CC1 2218835913 UELYGFZMCIJSPW-UHFFFAOYSA-N 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4.866 30 10 CJEE CC(C)(C#N)CCCNc1c(Cl)cccc1Cl 88171086 NGHQZALQZLBULY-UHFFFAOYSA-N 271.191 4.735 30 10 CJEE CC[C@H](C)c1ccc(NCc2cc(C#N)cs2)cc1 93685935 GKHXUGKYCKXOBV-LBPRGKRZSA-N 270.401 4.745 30 10 CJEE CCC(CC)(CS)CSc1ccc(OC)cc1 94588835 MGLNHJFLMUVTTL-UHFFFAOYSA-N 270.463 4.524 30 10 CJEE CCCCCCCn1c([C@H](C)O)nc2cc(C)c(C)cc21 102247522 MJSUBJYMPFLZKN-HNNXBMFYSA-N 288.435 4.677 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1cc(Cl)ccc1C#N 104149928 KPTLWZVXVXRSFZ-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE CCCCCCCOC[C@@H](O)c1ccc(CC(C)C)cc1 110022335 JDXASMHKLFLLGF-LJQANCHMSA-N 292.463 4.906 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCC(CC)(CC)CC1 110027443 FMAFQNVFFQCUGG-GOSISDBHSA-N 296.543 4.967 30 10 CJEE CCc1ccccc1Oc1ccc(Cl)cc1C#N 110262516 VDOZEINMSMWZFP-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCN1C[C@H](CCC)NCC1(CC)CC 115223032 PPIVXKBYHYPNQC-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(F)cc1F 126145356 JRXNDGFVLWCCRJ-INIZCTEOSA-N 284.394 4.610 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](CCC)OC 126662765 SNFZGULXJKBSQY-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE C#CC[C@@H](CC)N[C@H](CCC)c1ccc(Cl)cc1 129759570 QFESTUAOPRKVTC-HZPDHXFCSA-N 263.812 4.573 30 10 CJEE C#CC[C@@H](CC)NCc1c(Cl)ccc(Cl)c1Cl 129815831 YMUVEFMFHWCXCE-SECBINFHSA-N 290.621 4.538 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(C(F)F)cc1 131483103 LJJCSUFFRNKTFC-HNNXBMFYSA-N 272.298 4.609 30 10 CJEE Cc1ccc(N/C=C2/C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1C 135695670 BCFQNBKACBVJKN-XFXDYTQGSA-N 283.415 4.624 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cnns1 143436517 UVGSJHWHSKSFLG-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE CCCCCCCOc1cc(Cl)ccc1[N+](=O)[O-] 155598169 YYGMPOLUPGSXPL-UHFFFAOYSA-N 271.744 4.597 30 10 CJEE C=CCC[C@@H](NCc1csc(CC)n1)c1ccccc1 158849255 FVBGNSKWLSUXAA-MRXNPFEDSA-N 286.444 4.503 30 10 CJEE CC[C@@H]1CCC[C@H](OCc2ccc(C#N)cc2Cl)C1 162991735 MCDOTCNHBDQBNK-DOMZBBRYSA-N 277.795 4.697 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(N2CCCCC2)CCCC1 164669244 NPZWGJAZSKDNQQ-SFHVURJKSA-N 292.511 4.510 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1 179373153 FNUYYOVZFYYEEO-QRQLOZEOSA-N 297.442 4.528 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(C)nc1 228867765 FSPPPIYWDROTHU-QGZVFWFLSA-N 263.425 4.954 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1cccc(C)c1 232972808 VIMXANRAXPVQGL-SFHVURJKSA-N 277.452 4.909 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC(C)C)C1CC1 232973152 ORQRWALZGRLGEX-GOSISDBHSA-N 282.516 4.575 30 10 CJEE O=C(C=C1CCCCC1)c1cccc(OC(F)(F)F)c1 236136156 AOYRSYPUIIDZHP-UHFFFAOYSA-N 284.277 4.658 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CCC)CC[C@H]1N 250824925 NDDYQUCXNKHZSV-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE CC(C)c1cccc(O[C@H]2C[C@H](C)CC[C@@H]2C#N)c1 252145802 NWRYXAOHCFNRGG-UNEWFSDZSA-N 257.377 4.517 30 10 CJEE C[C@H](C#N)c1cccc2c1ccn2C1CCCCC1 260040791 NUOVHSWOYRWRHG-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE N#CC1(c2ccc(SC3CC3)cc2)CCCCC1 260830550 JZRFTDWDLFTNPF-UHFFFAOYSA-N 257.402 4.667 30 10 CJEE C=CCCCCCCNCc1ccc(OC(F)F)cc1 312441031 MZVMIAOIRZMFBH-UHFFFAOYSA-N 283.362 4.514 30 10 CJEE CC[C@](C)(C#N)c1cc(Cl)cc(Cl)c1Cl 380113035 ORINXGGLVCCQRX-LLVKDONJSA-N 262.567 4.838 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC2CCC2)cc1 385599083 CNHZIVQDGHEHHP-GOSISDBHSA-N 275.436 4.978 30 10 CJEE CC(C)C[C@H](C)C[C@]1(C#N)CCCc2ccccc21 387618789 LNIZDRZTVRCJQK-YJBOKZPZSA-N 255.405 4.857 30 10 CJEE Cc1ccccc1N[C@@](C#N)(CCC(C)C)C1CC1 388747630 ZMYIORNYPCANFB-QGZVFWFLSA-N 256.393 4.516 30 10 CJEE C=CCO[C@@H](C)CNC1CCCCCCCCCCC1 394337223 YZBOYHMDMBPTKU-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 399157461 JLRBSKUIKDENIP-JOYOIKCWSA-N 298.213 4.852 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccns1 404449831 HOJCOBFQSPTSCY-CYBMUJFWSA-N 255.427 4.707 30 10 CJEE COc1cccc(C(=O)/C=C\c2ccc(C(C)C)cc2)c1 606208271 CKVJZMWBLYMMST-XFXZXTDPSA-N 280.367 4.715 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1c(F)cccc1F 686696496 FPFXQUHEEXNSBT-MRXNPFEDSA-N 279.374 4.589 30 10 CJEE CCc1ccc(CC)c(Nc2cc(F)cc(C#N)c2)c1 689594545 GKQDFUOCLVOJAJ-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCSCC1 690579480 SJYSSFWCBPJFHB-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1Cl 692205015 OBDULBCWUGQNKJ-MLGOLLRUSA-N 281.802 4.704 30 10 CJEE CC(C)(CNc1ccc(Cl)c(C#N)c1)CC(F)(F)F 694030349 HVAJPUFDIDUUIN-UHFFFAOYSA-N 290.716 4.602 30 10 CJEE CCCCCCC[C@@](C)(C#N)N(CC)C(=O)OC(C)(C)C 698891335 NHPSMCBIZZRLIX-KRWDZBQOSA-N 296.455 4.886 30 10 CJEE CC[C@@H]1S/C(=N/CC2CC(C)(C)CC(C)(C)C2)N[C@H]1C 699565849 HYUVEOMLCABJPU-JSGCOSHPSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCCN1C 700232647 NZZGTRGJOULTSM-KRWDZBQOSA-N 281.484 4.961 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc2ccncc12 702767522 NFKFBBZKKBYJFE-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCN[C@H](C)c1ccccc1OCC 705963992 FKUXKJUGLGVTQG-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCCC[C@H](N)c1snc(OC)c1Cl 708338913 WUORRSIABADDPX-JTQLQIEISA-N 290.860 4.556 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C1CCCC1)C1CCC1 711846415 RYFYQBQBWJYUEI-GOSISDBHSA-N 268.404 4.638 30 10 CJEE CCCCCCC[C@@H](C)NCC[C@@H]1CCCS1 715661624 WZWIOHFOLMQIQI-CABCVRRESA-N 257.487 4.611 30 10 CJEE C=CC[C@@H](C)Oc1ccc(Br)cc1C(C)C 715759336 PRAWEABWGMEXIQ-LLVKDONJSA-N 283.209 4.916 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 724567082 SVENUEJOWYEAND-HNNXBMFYSA-N 284.321 4.875 30 10 CJEE C=C1CCC(COc2cc(F)cc(Br)c2)CC1 724569694 KOJGZMISXXCVRA-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ncccc2Cl)CC1 724574596 FDFBMSDOINWILB-MRXNPFEDSA-N 292.854 4.912 30 10 CJEE C=C1CCC(CC(=O)c2coc3ccccc23)CC1 724578861 HDPKOZHVCLRBAC-UHFFFAOYSA-N 254.329 4.752 30 10 CJEE Cc1cc2cc(SC(F)(F)F)c(CC#N)cc2s1 725314144 BDXVIEIUJIEESK-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CCC1(C(=O)NC[C@H](C)c2cccc(C)c2)CCCCC1 1126361990 VCSBEHGNHLMMPY-KRWDZBQOSA-N 299.458 4.741 30 10 CJEE C=CCC(C)(C)C(=O)Nc1c(C(C)=O)ccc2ccccc12 1130902459 SUDYSQCNNRVUBY-UHFFFAOYSA-N 295.382 4.583 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 1145005842 YBAOBZFFURWOCV-LJHODMEESA-N 299.458 4.945 30 10 CJEE C=CCC[C@@H](NCCCCOC(C)(C)C)c1ccccc1 1192707762 ALTNEUWTNBXOEF-GOSISDBHSA-N 289.463 4.879 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC12CCOCC2 1258231477 PLICEPGKDQNJRX-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCCc2c(F)cccc21 1308793135 PIIPLTZDZYVCPU-KBXCAEBGSA-N 275.411 4.928 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C 1351623421 HOVNKSBCIQAOSU-INIZCTEOSA-N 291.410 4.631 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3s2)C1 1452993921 KJTLKDZPDOZGNJ-CQSZACIVSA-N 299.439 4.638 30 10 CJEE C=C(CC)C(=O)N1CC2(CCCCCC2)[C@H]1c1ccccc1 1454828599 XYCMNWUQTIMVCF-GOSISDBHSA-N 297.442 4.877 30 10 CJEE C=C(C)c1cccc(NC(=O)NCCCC(C)(C)C)c1 1467475038 HIBVHZCMPSQGNM-UHFFFAOYSA-N 274.408 4.668 30 10 CJEE C=CCOc1ccc(CNCCCCC(C)C)cc1Cl 1474017413 RGVVKYVLXUUJOB-UHFFFAOYSA-N 295.854 4.821 30 10 CJEE C=CCN(CCc1ccc(C)c(C)c1)Cc1ccccc1 1474333893 FUMBQXQBXXUFDX-UHFFFAOYSA-N 279.427 4.534 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCCO[C@@H]1CC(C)C 1474464999 WNJXIFWCUKCENW-OKZBNKHCSA-N 281.484 4.695 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCc1ccsc1 1474623171 JWNYNFOFYDAXPK-OIISXLGYSA-N 277.477 4.794 30 10 CJEE C=CCCC1(CN[C@@H](C)C2CCSCC2)CCCC1 1474624672 DPIVCYTUCFATDV-HNNXBMFYSA-N 281.509 4.634 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(F)c1Cl 1476553714 DPUKZUVCBUXFQT-UHFFFAOYSA-N 298.789 4.737 30 10 CJEE C=C(C)CCC(=O)O[C@H]1c2cc(Cl)ccc2CC1(C)C 1527662863 VZQLDAOWAOKTQZ-INIZCTEOSA-N 292.806 4.863 30 10 CJEE C=CCC1(NC(=O)C2CCC(C3CC3)CC2)CCCCC1 1532897190 QKGKAUKKAJZVEM-UHFFFAOYSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccccc1)[C@@H](C)C(C)C 1537972015 ZOZURSUPIGSWBS-HNNXBMFYSA-N 273.420 4.666 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(OC(C)C)cc1Cl 1538809615 WYEQJBYCSAXOIV-UHFFFAOYSA-N 295.810 4.668 30 10 CJEE C=CCC[C@H](CC)N[C@H]1c2ccccc2CC[C@H]1C 1560707245 FZPIWPQIAPXGPX-UWWQBHOKSA-N 257.421 4.644 30 10 CJEE C#C[C@H](N[C@@H](CC)CC1CCCCC1)c1ccc(F)cc1 1560852772 MGALLZNPVRGFSY-OALUTQOASA-N 287.422 4.839 30 10 CJEE C=CCCCN(CC)Cc1ccsc1C(F)(F)F 1561037746 SCDUXNKPRCYARN-UHFFFAOYSA-N 277.355 4.555 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CCC(C)C 1563476890 LCORAWCSDPQKAJ-INIZCTEOSA-N 294.483 4.589 30 10 CJEE C#Cc1ccc(NC(=O)CCCCC(C)(C)C)c(Cl)c1 1585667965 AUPGGKQPTJVTGO-UHFFFAOYSA-N 291.822 4.866 30 10 CJEE C=C1CCC(CNC(=O)c2ccccc2CC(C)(C)C)CC1 1597401946 FJGUURCMAHIEIW-UHFFFAOYSA-N 299.458 4.751 30 10 CJEE CCCCCCCCCN1CC[C@@H](C(F)(F)F)C1 1616928251 QTRKOGXDALWMFU-CYBMUJFWSA-N 265.363 4.621 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 1621307712 ROKNEVYJYYBQAB-KXBFYZLASA-N 282.431 4.660 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)c1 1628031769 ZRFQGKOWMINRDJ-HNNXBMFYSA-N 286.419 4.620 30 10 CJEE C#Cc1ccc(NC(=O)N2CCCC[C@@H]2CCCCC)cc1 1628061052 JBNWURHDWHNMKM-SFHVURJKSA-N 298.430 4.635 30 10 CJEE C=CC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 1641778476 LBMNFLITSHFTKL-HNNXBMFYSA-N 265.400 4.799 30 10 CJEE C#C[C@H](NC1CCC(C)(c2ccccc2)CC1)C(C)(C)C 1647043407 VBUDVSVAKAEBII-FDYSRKEFSA-N 283.459 4.524 30 10 CJEE C=CCn1c(S[C@@H]2CCCC[C@@H]2C)nc2ccccc21 1652390936 OFXSTZYJGXZFLF-XJKSGUPXSA-N 286.444 4.893 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCCCCC(C)C 1652654091 DOOKEASYYYHQAJ-GOSISDBHSA-N 259.437 4.590 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)CC1 1657121917 SVGHANRUSCTBJM-CVEARBPZSA-N 276.468 4.655 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc2cnn(CC=C)c2c1 1659003459 NRONICJCSONFFF-HNNXBMFYSA-N 283.419 4.769 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1C[C@H](c2cccc(F)c2)C1 1659013729 BXFYUUAACGQMDY-KBAYOESNSA-N 275.411 4.796 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(C)c2)CCCC1 1662874037 PBQLEZOHROQIME-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE C=CCCCCCN(C)C(=O)NC[C@@H]1CCCC[C@H]1CC 1673196154 HJGJVIBNTMAVMQ-SJORKVTESA-N 294.483 4.591 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1CCC[C@@]1(C)CC(C)C 1675761414 VPRITTFVKYQBOL-SFHVURJKSA-N 294.483 4.589 30 10 CJEE C=CCC1(NC(=O)NC2CCC(CCC)CC2)CCCC1 1677676727 BYJLJFRRESMOMW-UHFFFAOYSA-N 292.467 4.533 30 10 CJEE C=C(C)CN(C)C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1680621804 SDYMADJUNXEXSH-CYBMUJFWSA-N 286.419 4.511 30 10 CJEE 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CJEE CCCCCCCCCCCCN1C[C@@H](C)C[C@H](O)C1 401496708 LCNWSLORJGJTGM-ROUUACIJSA-N 283.500 4.610 30 10 CJEE CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512649189 QTYOKKALOUFUQS-KUHUBIRLSA-N 296.389 4.745 30 10 CJEE CCCCO[C@]1(CC)C=CC(N=Cc2ccccc2)=CC1 604940855 NYFUNUPYZCTHGZ-LJQANCHMSA-N 283.415 4.915 30 10 CJEE N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1C#N 616212970 FIKDQFOIJQFBMT-UHFFFAOYSA-N 293.329 4.527 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc2sccc2c1 686689530 KQNPTBLOWKXYBT-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE C#CCCCCC[C@@H](NCC)c1csc(C)c1C 686703587 JYQSBSWCFVGWNK-MRXNPFEDSA-N 263.450 4.599 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cccc(F)c1C 686708700 NNSRYFAUKPJVTA-SFHVURJKSA-N 275.411 4.759 30 10 CJEE CCCC1(CNc2ccc(Cl)c(C#N)c2)CCC1 687523830 NIEQNCXMPSTMPR-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CC2(C)CCC2)C1 688006924 PEZWNEQUKQPLNA-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCCCCNC[C@@]12COC[C@H]1C2 689213770 MXMWIGQBTFOEEF-MSOLQXFVSA-N 281.484 4.533 30 10 CJEE CC(C)(C#N)CCCCNCc1ccc(Cl)c(Cl)c1 689255725 XDNVFJLGWNJIKE-UHFFFAOYSA-N 299.245 4.803 30 10 CJEE CCCCCCCCC[C@@H](CCCOC(C)C)NC 689426816 XSHXBHXJCAXFHJ-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nc(C)c(C)[nH]1 700056097 JOLNJZDROXRKNB-OAHLLOKOSA-N 266.429 4.591 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCCCC(C)(C)C#N 703755328 BOWXEJFMGYUQQE-BRWVUGGUSA-N 278.484 4.757 30 10 CJEE CC(C)CCCCNc1ccc(C#N)cc1C(F)(F)F 703987508 RHWMOIJQUSBTKP-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 710624441 WUTKZRAJRNLZHK-QLFBSQMISA-N 269.860 4.570 30 10 CJEE C=C(CC)C[C@H](NCC)[C@]1(C)CC[C@H](C)C1(C)C 710768307 QZTCWVFTNQUIKS-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE SCC1(COC2CCCCCCC2)CCCCC1 721133467 CDXVCLCOHLYWJQ-UHFFFAOYSA-N 270.482 4.996 30 10 CJEE C=C1CCC(Cn2c(S)nc3cc(C)c(C)cc32)CC1 724462182 OANPVXIFEBHBGB-UHFFFAOYSA-N 286.444 4.688 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](C)CC(F)(F)F)CC1 724558004 GXIHOBKJSOYJQJ-TZMCWYRMSA-N 277.374 4.690 30 10 CJEE 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C=CCCCOc1ccc(SC(F)(F)F)cc1 1307341946 OXMAIAXGSAOBGX-UHFFFAOYSA-N 262.296 4.644 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)sc1Cl 1307949817 LPQOLSRHNGWODC-PHIMTYICSA-N 288.243 4.738 30 10 CJEE C=CC[C@@H]1CCN1Cc1ccc(C(C)(C)CC)cc1 1308142854 XMEWOFWPFHXTMY-QGZVFWFLSA-N 257.421 4.525 30 10 CJEE C=CCC1(CNCc2ccc3c(c2)CCCC3)CCCC1 1308403525 SXCJFSGDWOCTMI-UHFFFAOYSA-N 283.459 4.792 30 10 CJEE C=C(C)CN(CC)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 1352046780 NIYGCSPRGAKODQ-UHFFFAOYSA-N 293.838 4.676 30 10 CJEE C=C(CC)C(=O)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 1454828607 XYCMNWUQTIMVCF-SFHVURJKSA-N 297.442 4.877 30 10 CJEE C=CCC1(NC[C@@H]2CC3CCC2CC3)CCCCC1 1460632436 WKFSARTWXRDMLQ-JCYILVPMSA-N 261.453 4.681 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC(c2ccccc2C)C1 1462429118 UFHXTZIEBRXVRV-CKVGWXAMSA-N 283.459 4.966 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1cc2cc(F)ccc2s1 1466391171 JOJZTIHEMTYRJR-LLVKDONJSA-N 291.391 4.515 30 10 CJEE C=CCC[C@@H](CCC)NCc1cccc(C(F)F)c1 1474445470 FVVNDWUADQDLFC-OAHLLOKOSA-N 267.363 4.849 30 10 CJEE C=CCCC1(CNC(=O)N[C@H](C)C[C@H](C)CC)CCCC1 1478002975 OBLLRWNUDGQZIJ-HZPDHXFCSA-N 294.483 4.637 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@@H](C)[C@@H]1CCC 1478605432 KDMASROGKNUYMS-SJORKVTESA-N 294.483 4.733 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 1519971120 SPTNNUPXDGEJGW-GPZRYRNASA-N 297.442 4.564 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@H](CC)CCCC)cc1 1523569759 OLYCEBRZVDMARG-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=CCCCCCCCNC(=O)C1[C@H]2CCCCCC[C@H]12 1524538571 UDLDAOABUAPSCE-IRXDYDNUSA-N 291.479 4.846 30 10 CJEE C=CCC1(C(=O)N[C@H](CCC)C2CCCC2)CCCCC1 1525141412 CUEAOPXFGUVEDG-QGZVFWFLSA-N 291.479 4.988 30 10 CJEE C=CCC1(NC(=O)CC[C@H](C)c2ccccc2)CCCCC1 1526048777 DIHAOQFHKULLII-KRWDZBQOSA-N 299.458 4.966 30 10 CJEE C=CCCc1ccccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 1538140207 WSPHCVQHDJRFEQ-HUUCEWRRSA-N 271.404 4.570 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](CC2CCCCC2)C(C)C)cc1 1539294586 JCFMKEUALNPXGC-IBGZPJMESA-N 297.442 4.849 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCCC[C@@H]2CC)CCCCC1 1543289020 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C=CCC(CC=C)N[C@H]1CC[C@@H](C)c2ccccc21 2335205156 ZXAQZUXOGIQKBR-KDOFPFPSSA-N 255.405 4.735 30 10 CJEE CCC[C@@H](OCCCC(C)(C)C#N)c1ccccc1 2340467560 TWUKMABDRZUBSD-MRXNPFEDSA-N 259.393 4.874 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(OC)c1Cl 2344348453 KTKQTTKUJLLNMB-CVEARBPZSA-N 281.827 4.602 30 10 CJEE CC1(C)CC[C@@H](CCNc2ccc(C#N)c(Cl)c2)C1 2344776082 ZCHZSELQGIEYNX-LBPRGKRZSA-N 276.811 4.840 30 10 CJEE C=C[C@@](C)(CC[C@@H]1CCC(C)(C)C1)CNC1CCC1 2344871565 LFFKJVSMFVJISG-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(C)c(O)c1 2344969381 ZKPBMXHQVLIRGV-OAHLLOKOSA-N 263.425 4.539 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@@H](CCC)CC1 2352015143 VXKSDSMHRPOPLA-LZWOXQAQSA-N 284.465 4.888 30 10 CJEE CN(CC(C)(C)C(C)(F)F)C[C@](C)(CS)C(C)(C)C 2352315142 KGYLQCJMLNWILJ-CQSZACIVSA-N 295.483 4.582 30 10 CJEE Cc1cc(Cl)c([C@@H](N)CC#CC2CCCC2)c(Cl)c1 2353059555 UBQPXURBTGXPRC-HNNXBMFYSA-N 296.241 4.885 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358666209 WYOLBYHPCCMPES-FPCVCCKLSA-N 285.422 4.782 30 10 CJEE CCSc1cccc(NC[C@@H]2C[C@@H]3CC[C@H]2C3)c1C#N 2359292243 UQPHLTYEOMIISF-RDBSUJKOSA-N 286.444 4.518 30 10 CJEE CN(Cc1cccs1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35717335 ZKFWAAKFXGNCBX-IIAWOOMASA-N 290.476 4.534 30 10 CJEE Cc1ccc(C)c(Oc2ccc(C#N)c(Cl)c2)c1 35855903 WWGCTAGCCHPCAT-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](n2ccnc2C(C)C)C1 37147565 UKQHVVVQIPXHDE-HRCADAONSA-N 287.451 4.924 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCc2ccccc21 37936142 FSKOVSXGSHIHFX-QGZVFWFLSA-N 282.774 4.507 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccccc1Cl 37938254 UVXUOPKIZUQTCN-CQSZACIVSA-N 277.154 4.670 30 10 CJEE CC(C)(C)C1CCC(C(=O)[C@H](C#N)c2ccccc2)CC1 48347931 CTWGYXBWUXBMII-OFLPRAFFSA-N 283.415 4.715 30 10 CJEE Cc1cc([C@H](C)Nc2cc(C#N)ccc2C)c(C)s1 50429654 GUENMVXOGSNTQJ-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE CCCCCCCCCCc1ccccc1S(=O)(=O)O 59617415 UAZLASMTBCLJKO-UHFFFAOYSA-N 298.448 4.617 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N(C)C(C)(C)CC)C1 69433417 RKJNAHZKFFWBBW-HRCADAONSA-N 278.484 4.851 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)CC1 86891579 DVQRLAVDLGYZOB-IUODEOHRSA-N 262.784 4.614 30 10 CJEE CCCCN(CCCC)CC1(CS)CCCCC1 94578915 DKKIVUFCRFSWNY-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CCCC(CS)(CCC)COCc1cccc(OC)c1 94582229 RVASLWNAHGMSOZ-UHFFFAOYSA-N 296.476 4.728 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](C)CS 94584388 SDDBCBIVWYXNPF-SNVBAGLBSA-N 272.841 4.717 30 10 CJEE C=CCCC[C@H](NCC)c1cc2cc(C)ccc2o1 97219564 VREVWPSCVQMXFK-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE CCc1ccc(-c2nc(C(C)(C)C)c(C#N)s2)cc1 98113971 FEVTVZWVLAWLIH-UHFFFAOYSA-N 270.401 4.542 30 10 CJEE Clc1cc(Cl)c(Cl)c(CC[C@@H]2CO2)c1Cl 107502717 BNXPQUWDBXABOR-RXMQYKEDSA-N 285.985 4.632 30 10 CJEE CCCCCCCCn1nc(C)c([C@@H](CC)NC)c1C 108043308 DXESVQLXZJNKFQ-MRXNPFEDSA-N 279.472 4.531 30 10 CJEE C[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)c(C(F)(F)F)c1 110256545 FETNTTIMPDQKSJ-NHYWBVRUSA-N 296.336 4.592 30 10 CJEE CCCC1CCN([C@H]2C[C@H](CCC)CC[C@@H]2C#N)CC1 110265397 LBFQOPOARWZAKV-KURKYZTESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCOCC1(N)CCCCCC1 113108059 VRFLINFVEUWCSV-UHFFFAOYSA-N 269.473 4.805 30 10 CJEE CCCCCCCCC[C@H](O)[C@](C)(CC)N1CCCC1 118159195 IUYADOLCRCPMPW-ROUUACIJSA-N 283.500 4.753 30 10 CJEE CCCCCCCC[C@@H](N)[C@@](C)(CC)N1CCCCC1 118163215 FVMSYWFKFBRRGW-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@H](NN)c1cccc(OC(C)C)c1 122366207 NTWLTYMRSDCNSA-SFHVURJKSA-N 292.467 4.729 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CSCCS1 125136825 YVANJZPFFVQUIJ-GJZGRUSLSA-N 290.538 4.727 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)ccc2Cl)cc1 125696108 QNSRRHVBRSTNGX-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC[C@@](C)(CNCCOC)C1CC1 127156787 PULNMIOXWFIFII-SFHVURJKSA-N 283.500 4.779 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(C(F)F)c1 131937632 LZTZOORMTXTDLZ-AWEZNQCLSA-N 292.716 4.954 30 10 CJEE CCCCCCCCCCCC(=O)NCC(N)(CC)CC 133462094 HGAUGYYJJYLZGM-UHFFFAOYSA-N 298.515 4.541 30 10 CJEE C=C(CN[C@@H](C)C1CCCCCC1)c1ccccc1 134370148 XPMVWWGLDLKCDW-INIZCTEOSA-N 257.421 4.648 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1CC 135832894 PGKCEFIYBRJNOT-KKUMJFAQSA-N 289.554 4.692 30 10 CJEE CCCCCCCCC[C@H](NC)[C@](C)(CC)OCC 158398891 IHFYCACEMJSPCA-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@](C)(CC)OC 163642198 ZGDASVZOHSTFSO-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1ccnn1C 165817385 LGPJMUFPINXZOH-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)c2cc(C)ccc2C)C1 218262794 LRERTDHTXBQMDW-NEWSRXKRSA-N 285.431 4.621 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2)C1 222238429 QOUMPUWDWTWSAN-YCPHGPKFSA-N 259.418 4.887 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2F)C1 222245512 NSJRUOGIGXJEEU-XUJVJEKNSA-N 263.381 4.636 30 10 CJEE CCCCCCCCCCCC(=O)[C@H]1CCCOC1 225433137 IGMHKDRSSDQLTA-INIZCTEOSA-N 268.441 4.903 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCCC1(C)C 226945511 MNRZYDJXIMRCHC-CVEARBPZSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCC[C@@H](CC(C)(C)OC)NC 230966057 NICAYMJHWBYGJZ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccc(C(C)(C)C)cc1 232561999 AJSXLKXWHBMZHZ-QGZVFWFLSA-N 274.452 4.625 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H](NCCC)CCO1 232958163 RMPCJZSLNHLHMB-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1CCCCC[C@H]1C#N 250593981 MKNSEXCEDXIAHY-FUHWJXTLSA-N 276.468 4.750 30 10 CJEE Fc1ccccc1N=CCCC=Nc1ccccc1F 254498355 WHFPMQMNJRFCHZ-UHFFFAOYSA-N 272.298 4.850 30 10 CJEE CCCCC[S@](=O)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 300447728 BVBQLKRQUVJSAG-NLDJYOPPSA-N 297.508 4.670 30 10 CJEE C[C@H]1[C@H](C)CC[C@H]1Nc1ccc(C#N)c2ccccc12 300547303 ZWYYOTSBPKJDOC-IIYDPXPESA-N 264.372 4.558 30 10 CJEE CCSc1cccc(N2CC[C@@H](CC(C)C)C2)c1C#N 307776596 PTCPLWNKCQXDNK-AWEZNQCLSA-N 288.460 4.543 30 10 CJEE C[C@@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 307890298 HSBFWLZVFMKENF-CQSZACIVSA-N 298.213 4.675 30 10 CJEE CCSc1cccc(NCCCC(C)(C)C)c1C#N 313471321 KDDPQFIAGFSSTR-UHFFFAOYSA-N 276.449 4.908 30 10 CJEE CCCCCCCCCC[C@]1(CNC2CC2)CCCO1 315062497 QSQMVKRWXPZGEO-GOSISDBHSA-N 281.484 4.818 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2c(C)cc(C)cc2C)C1 316660927 BCLIQSVJDCYLAI-WMZOPIPTSA-N 258.405 4.550 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)C)CCc2ccccc2C1 317475812 AFZQDXFYFRNOGE-IBGZPJMESA-N 271.448 4.516 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCOC3(CCCC3)C2)CC1 317810854 CRZWVXMUOKCAAX-AQFXKWCLSA-N 278.436 4.511 30 10 CJEE C=CCCCCCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 320868659 NRRXECRFOCSSLS-UHFFFAOYSA-N 298.430 4.651 30 10 CJEE N#C[C@@]1(C[C@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 380104470 NVXWDIXXUZVOCM-RUENVJTFSA-N 265.400 4.827 30 10 CJEE O=C(Cc1ccccc1C(F)(F)F)C1=CCCCCC1 383480567 UEKLVIIGIOKIHI-UHFFFAOYSA-N 282.305 4.708 30 10 CJEE C=CCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 384171642 WSXVLHJBLNTUPF-BFHYXJOUSA-N 251.439 4.650 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(C(F)(F)F)s1 394920055 VMSRUCYOQCPHNM-UHFFFAOYSA-N 274.307 4.840 30 10 CJEE C=CCCC[C@H](C)NCc1cccc(Cl)c1Cl 398128351 UNZBHHNUYQWWKV-NSHDSACASA-N 272.219 4.828 30 10 CJEE CCCCCCCCCC[C@@](C)(F)[C@H]1[C@H]2CN[C@H]1C2 400660061 ROXBEWRZYVVKBE-LTIDMASMSA-N 269.448 4.853 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@H](CC)CC(F)(F)F 402550755 FYHVYBSBQDAELS-QWHCGFSZSA-N 265.363 4.545 30 10 CJEE N#Cc1ccccc1Nc1ccc2c(c1)CCCCC2 404729795 ZAMMXKKGKGXHSL-UHFFFAOYSA-N 262.356 4.571 30 10 CJEE C=CC[C@H](C(=O)N[C@H](C)c1ccccc1C)c1ccccc1 487606018 NYITYFMMLMVORE-APWZRJJASA-N 293.410 4.532 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 505001421 SVSPAOOOEKSQMC-FUHWJXTLSA-N 298.430 4.602 30 10 CJEE C#CCCCCC[C@H](NC)c1csc2ccccc12 686697942 WXYCVOBYQXJDRW-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/NC2(CCCC2)CCS1 687324218 YLERLFASWJGWOF-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(F)c(Cl)c1F 689642344 XULJNBLAJQOEHW-GFCCVEGCSA-N 275.770 4.979 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1CCCSCC1 690345157 OXJNVTPFVFYDLB-GJZGRUSLSA-N 257.487 4.598 30 10 CJEE CC(C)CC[C@@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698814375 HLRUSIXXLCFDNJ-KRWDZBQOSA-N 296.455 4.598 30 10 CJEE CCC(CC)N(Cc1ccc(C)c(C#N)c1)CC(C)C 700713044 WZKPCOZVELOJLJ-UHFFFAOYSA-N 272.436 4.513 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCc2cc(Cl)ccc21 703956328 ZETXORBOYVIKHH-MRXNPFEDSA-N 277.839 4.909 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1cccs1 703990413 WSSSWTOYDVGNAJ-CYBMUJFWSA-N 251.439 4.781 30 10 CJEE CCCCCCCCNCc1cccc(OC2CC2)c1 704413608 WLEGOZRXCTVNPL-UHFFFAOYSA-N 275.436 4.678 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1 709105087 FUZFOZZVQWEPMU-BXUZGUMPSA-N 277.795 4.589 30 10 CJEE C=CCCCN(C)c1cc(Cl)ccc1CNC(C)(C)C 723180293 PRJUENYRYMZVPT-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCCCCCCCCCNCc1cc(C)cc(C)n1 723666094 WEMOMLYVBUILJM-UHFFFAOYSA-N 276.468 4.929 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1 1158603873 KBBWFLAZPXWRCN-UHFFFAOYSA-N 296.414 4.971 30 10 CJEE C=CCN(Cc1ccccc1F)[C@H]1CCc2ccc(F)cc21 1190484876 DTZRMXBRCILQCV-IBGZPJMESA-N 299.364 4.640 30 10 CJEE C=CC(C)(C)NC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1209465253 SBUPMNJEIWSPIP-LBPRGKRZSA-N 286.419 4.558 30 10 CJEE C=CCCCN1CCC[C@@]1(C)Cc1cccc(Cl)c1 1307896030 GDZFRBHMBQIZTO-KRWDZBQOSA-N 277.839 4.703 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CC[C@H](C)SC1 1308713488 JTBKBRDYFAABSN-DZGCQCFKSA-N 261.434 4.501 30 10 CJEE C=CCCc1ccccc1NC(=O)NCC1(CC)CCC1 1310623851 GFHLLBHQUZYJFR-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cccc(OC2CCCC2)c1 1353984880 KEUJIHHFOYEQBO-UHFFFAOYSA-N 299.414 4.715 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCc1ccccc1)C1CCCC1 1435022868 NJQPBKMTILRGLH-KRWDZBQOSA-N 299.458 4.603 30 10 CJEE C=CCC(F)(F)C(=O)N1c2ccccc2[C@H](C)CC1(C)C 1435736986 LVUIBXPMEGAGHW-GFCCVEGCSA-N 293.357 4.517 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)/C=C(/C)c1ccccc1 1456308391 PZQHCPAQDURNON-ICFOKQHNSA-N 297.442 4.685 30 10 CJEE C#CC[C@@H](NC(=O)[C@H](CC)CCCCCC)c1ccccc1 1458089799 VBTQMTSKJOXBBP-IEBWSBKVSA-N 299.458 4.864 30 10 CJEE C=C[C@H](CC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1459687907 GXWWHZCQHBULGA-NTDBWNAOSA-N 299.458 4.535 30 10 CJEE C=CCC1(NCCc2ccc(C)c(C)c2)CCCCC1 1462239864 ZZWHTYDWLCQUTC-UHFFFAOYSA-N 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Cc1cc(Cl)cc([C@H](C)Nc2cccc(F)c2C#N)c1 2238014986 IQCFUUWFIJKGPV-NSHDSACASA-N 288.753 4.832 30 10 CJEE C[C@H]1CCC(=NO)[C@@H](OCCCCCCCC2CC2)C1 2239393284 DFUIVORIDMWMJH-YOEHRIQHSA-N 281.440 4.772 30 10 CJEE CCCCCCCCCO[C@H]1CCCC(C)(C)[C@@H]1NC 2239454745 MRHHXCDELGUFED-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CC1(C)CCC([C@](C)(N)C#Cc2cccc(Cl)c2)CC1 2239562856 KQTHKPIVGZAWAU-GOSISDBHSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@H](C)N(CC)[C@H]1CCC[C@@H]1CN 2240560169 BRLXWLMJWQAYQS-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@@H]1CCC 2240561150 RITNLDCUXVDQJB-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@](C)(O)[C@]1(CN)CCCC[C@@H]1C 2240620476 UXJRIJMDTWCDNP-BZSNNMDCSA-N 283.500 4.643 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)c1cscc1CC 2240641201 YJAKSARWPRZPRO-KRWDZBQOSA-N 296.476 4.995 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC2(CCC2)[C@H]1OC 2240666167 KROCJEFCMVOZNP-ULQDDVLXSA-N 281.484 4.673 30 10 CJEE O=CC1(Cc2coc3ccccc23)CCC2(CC1)CC2 2241181325 KYNNTBRUGZAJFA-UHFFFAOYSA-N 268.356 4.515 30 10 CJEE CC1(CSCC2(CS)CCCCCC2)CC1 2243266423 DGTSXLONNPCERA-UHFFFAOYSA-N 258.496 4.790 30 10 CJEE C=C(C)CCCCc1ccc(Br)c(OC)c1 2244637753 OSPGLTUKHLSXDT-UHFFFAOYSA-N 283.209 4.747 30 10 CJEE CC[C@H]1CC[C@](C#N)(CC2(CSC)CCC2)C1 2251401964 RBENZZMSCHMFQI-DZGCQCFKSA-N 251.439 4.630 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1CCCC1(F)F 2259241975 RJPSEYRIBYOQCG-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C[C@@H](CC(C)(C)C#N)OCC[C@H]1CCCCC12CC2 2264876311 ZGOWEIAPVPXFDM-LSDHHAIUSA-N 263.425 4.692 30 10 CJEE C=C1CCC(C[C@@H](O)C[C@H]2CCCCC23CC3)CC1 2264893762 CMLSMVXHSMHBSB-IAGOWNOFSA-N 262.437 4.844 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2264924838 RZGDOEMDNRJNFO-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE Cc1cc(N[C@@H]2CCCC(C)(C)C2)cc(C)c1C#N 2265859509 KUAWIDPTSGBJNB-CQSZACIVSA-N 256.393 4.556 30 10 CJEE C=CCCCCCCCC(=O)c1c(C)cccc1N 2268191156 YLUXVMQKPNNRBL-UHFFFAOYSA-N 259.393 4.677 30 10 CJEE CC1=C[C@@H](C)C[C@@H](C(=O)CC=CC#CC(C)(C)C)C1 2268765516 HOTNRLWXYAWLNF-GDBMZVCRSA-N 258.405 4.544 30 10 CJEE C=CCCCCCCCC=C1[C@H]2CC[C@@H]1C[C@H](N)C2 2270327871 MBCZOYOSJFNTMH-FVQHAEBGSA-N 261.453 4.977 30 10 CJEE C=CCCCCCCCS[C@@H](C)[C@H](C#N)NC(C)C 2271518317 ZSLISBJLVQOBDE-HOTGVXAUSA-N 282.497 4.525 30 10 CJEE C=C(C)CCCC[C@H](NC)C(C)(C)c1ccccc1 2271786606 ZHZCOAAUMDNAKX-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE C=C([C@H](NCCC)[C@@]12CCCC[C@@H]1CC2)[Si](C)(C)C 2273338046 SWUSMACEQLHARM-IXDOHACOSA-N 279.544 4.759 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1sc(C)cc1C 2274141048 XYJNLNZYCNVJQI-MRXNPFEDSA-N 275.461 4.599 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](N)CC#CC2CCCC2)CC1 2274181020 MCBZCFWONZUGSW-KBAYOESNSA-N 261.453 4.504 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)C1CCC1)OCCN 2276239573 RZFBLZXOTWLLNW-WBVHZDCISA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1COC(C)(C)C1 2278236439 QOSFLFZYLTUECN-CVEARBPZSA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC[C@@H](C(C)C)O1 2278238126 ROAFFVQSAHBRRL-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1ccon1 2278238428 SAXDHWUIHVXFIX-CABCVRRESA-N 266.429 4.854 30 10 CJEE C#CC[C@@H](N[C@@H](C)CCCCCCCCC)C1CC1 2278241655 WBVCTSPUEPJLJM-FUHWJXTLSA-N 263.469 4.907 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CC)CCCO 2278242839 KQQSEDJKIWXIPG-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=C1CCC(CN2CC(F)(F)C[C@@H]3CCCC[C@@H]32)CC1 2279694856 RYFCWWBFAXJQTR-HOTGVXAUSA-N 283.406 4.633 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@@]1(C#N)CCOC12CCCCC2 2280466548 QICUYVXZLCXYQM-IKGGRYGDSA-N 275.436 4.836 30 10 CJEE C=CCCCCCCCSc1cc(NC)nc(CC)n1 2287090846 SNDDQBQXIMSYRD-UHFFFAOYSA-N 293.480 4.699 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(NC)C1CCC1 2287097210 SVSLEMQHQLCNCH-KRWDZBQOSA-N 294.508 4.528 30 10 CJEE CCSc1cccc(N[C@@H](C(F)F)[C@@H](C)CC)c1C#N 2287202774 MBEYPKOMHGARLI-IINYFYTJSA-N 298.402 4.762 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ncoc1C1CC1 2287413244 IMWRPHPOPFUCBH-HNNXBMFYSA-N 276.424 4.729 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@]12CCC[C@H]1CC2 2289056599 TVGZJYXUUZAXAH-RYQLBKOJSA-N 280.452 4.637 30 10 CJEE C=CC[C@@](C)(Nc1ccnc(C(C)(C)C)c1)C(F)(F)F 2289315679 KORBVORDMKFOLY-CQSZACIVSA-N 286.341 4.688 30 10 CJEE N#CC1(C[C@@]23CC[C@@](CF)(C2)OC3)CCCCCCC1 2290476955 IMGHIXXJIHNGSP-IRXDYDNUSA-N 279.399 4.540 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H](C)CC)OCCC(=O)O 2291287831 YDPKXQXXHAIPOA-HOTGVXAUSA-N 284.440 4.809 30 10 CJEE C=CCCCCC[C@@]1(OCC(=O)O)CCCC(C)(C)C1 2292715432 JAAIUEQCKGIPAO-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC1(OCCN)CCC(C)(C)CC1 2292807895 YEAVIJWIQZISBO-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCCN)C1(CCC)CCC1 2292895799 FRUNVJQKAVOASF-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@]1(OCCN)CCCCC12CCCC2 2293274637 LNQCOTOGIQWIMG-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=C(C(C)(C)C)[C@@](CCC(C)C)(OCCCN)C1CC1 2293347284 CIUAPYJKQIZJMT-GOSISDBHSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCCC12CCC2 2293411272 QZBSBWIUDAVSRA-GOSISDBHSA-N 281.484 4.805 30 10 CJEE CCCCCCCCC1(OCCN)CC2(CCCC2)C1 2293413648 NHCVLLBBFILVKM-UHFFFAOYSA-N 281.484 4.805 30 10 CJEE CCCCCCCCCC[C@H](OCCN)[C@@]1(C)C[C@H]1C 2293527243 IFSACMCWJJDUNC-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@@](C)(OCCN)c1ccccc1Cl 2293881530 JRPHZUSDOJXHGW-QGZVFWFLSA-N 295.854 4.667 30 10 CJEE CCCCCCC[C@H](OCCCN)C1=CC[C@@H](C)CC1 2294401601 BLNHBASEMSGHHK-AEFFLSMTSA-N 281.484 4.827 30 10 CJEE C=CC1(C[C@@](CC)(C[C@@H](C)CC)OCCCN)CCC1 2294560871 ZUIRBJAMIVNOSS-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@H]1CC1(C)C 2295597698 YPLSCBLQHCNYRR-YJBOKZPZSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](CO)CC(C)C 2295677673 DFQZEBKSUUYSHL-ROUUACIJSA-N 285.516 4.760 30 10 CJEE C#CCCC[C@](C)(CCCCCCCCC)OCCN 2295677798 DUTMHNUTEPVHHE-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@H](C)CC(C)C 2295679003 LPNCKRHUBSDGDH-KURKYZTESA-N 285.516 4.888 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](NC)[C@H](C)C(C)C 2295679727 RZFDXLAJTZFXBR-KURKYZTESA-N 285.516 4.758 30 10 CJEE CCCCCCCCC[C@@H](C)Nc1cncnc1CC 2295691616 NSVVPFMZWWCMDB-OAHLLOKOSA-N 277.456 4.980 30 10 CJEE CCCC[C@H](CC)CS[C@H](C)C[C@](C)(C#N)NCCC 2295712159 VCJDONAONZWFCJ-IXDOHACOSA-N 298.540 4.996 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1ccc(Br)c(C)c1 2301038415 YZVWBVIWXOTRNW-OAHLLOKOSA-N 295.220 4.559 30 10 CJEE CCCCCCCC[C@]1(O)C[C@@H]2[C@H]3CC[C@H](C3)[C@H]21 2311073491 ZNPIDOPPWHFKMM-UTSKFRMZSA-N 250.426 4.534 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NCC)cc1C 2313686897 QZLKBTRSFDVLCD-UONOGXRCSA-N 263.450 4.722 30 10 CJEE CCCCCCCC[C@H](N)c1cnccc1SC 2315256909 LAGMYEXCAUZHPO-AWEZNQCLSA-N 266.454 4.554 30 10 CJEE C=CCC(CC=C)[C@@](C)(O)c1cc(Cl)ccc1Cl 2316714439 HBFQGSDATHBUCW-OAHLLOKOSA-N 285.214 4.969 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCC(C)(C)C(F)(F)F 2321105062 LQTPNWBJFPCCKW-YPMHNXCESA-N 265.363 4.675 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CC[C@@H]1C2 2334615552 HWNMURZTBAXKTE-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)C1C(C)(C)C1(C)C 2335096369 MBJKMMAGVWZFMC-AWEZNQCLSA-N 281.509 4.511 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@](C)(CC)CC[C@@H]1NC 2335099216 UBRWDJFBZGALCL-BBWFWOEESA-N 281.509 4.797 30 10 CJEE C=CCC(CC=C)SC[C@@H](NC)c1ccccc1C 2335200047 IIZLSBOAQADNIG-QGZVFWFLSA-N 275.461 4.510 30 10 CJEE C#CC(C)(C)NC(C1CCCCC1)C1CCCCC1 2338284951 GESHLJKSTQBYPD-UHFFFAOYSA-N 261.453 4.517 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2338675353 WNQWPLWZQYEOJP-HYVNUMGLSA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H](C)CC(F)(F)F 2338732442 JFFXNECXLDQYCS-JSGCOSHPSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 2338740430 FNEPTXNRHJXYCH-VSZNYVQBSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1CCCC(F)(F)CC1 2338750017 OKLDANLDSKYLLD-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE CCc1cnc(C2(C#N)CCC(C(C)(C)C)CC2)s1 2341692576 KUHRVTCLFVAPTI-UHFFFAOYSA-N 276.449 4.703 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(F)c(C)c1Cl 2344346276 QYOSWDCCMDUPMZ-ZBFHGGJFSA-N 283.818 4.650 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(F)ccc1C(F)F 2344349766 WACDZDPJRJUEDE-ZFWWWQNUSA-N 271.326 4.756 30 10 CJEE CC(C)C[C@@H](CS)CN1CCCC2(CCCC2)CC1 2353839448 JJIAUWKFDOFWSX-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CSc1cc(N(C)[C@H](C)CC(C)(C)C)ccc1C#N 2353844128 CMJYQSPKSHOPCM-GFCCVEGCSA-N 276.449 4.541 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1CC[C@@H]2C[C@@H]2C1 2353912561 YFTKCIRMOHAFKT-XMTFNYHQSA-N 280.500 4.785 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2359654930 UJKOMKYCSVUCKR-XSLAGTTESA-N 278.484 4.561 30 10 CJEE Cc1ccc(F)c([C@H](C#N)Nc2ccc(F)cc2)c1Cl 2360544011 ABWGIKCAAKWDEK-ZDUSSCGKSA-N 292.716 4.603 30 10 CJEE Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(F)cc1)CC2 3582393 PSGHOFJYYMPELV-RVDMUPIBSA-N 280.342 4.655 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)s1 14456353 BFUVLFXHIZMVEU-PMUMKWKESA-N 292.407 4.755 30 10 CJEE Cc1cccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)c1 19887285 HZOAUWIEZPRBID-LMMKCTJWSA-N 286.378 4.693 30 10 CJEE CC(C)C[C@H](Nc1cccc(C#N)c1)c1ccccc1 21511042 DESXNKHBTVSOEQ-SFHVURJKSA-N 264.372 4.758 30 10 CJEE C[C@H](N[C@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)s1 54826505 NAIMXVHZAVCWOQ-TUAOUCFPSA-N 282.840 4.525 30 10 CJEE Cc1ccccc1OCC[C@@H](C#N)c1ccc(Cl)cc1 57685155 BLWDMQRXLAJPGA-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE CCC(C#N)(CC)CCCOc1ccc(C)c(C)c1 57714565 MSXRFYQIGVKDOV-UHFFFAOYSA-N 259.393 4.792 30 10 CJEE CCOc1ccc(OCCCC(C#N)(CC)CC)cc1 57714633 UFCYOSCMSGILSR-UHFFFAOYSA-N 275.392 4.574 30 10 CJEE COc1ccc(OC)c(/N=C/c2cccc3ccccc23)c1 59458838 JFMMKUUZLKGTHQ-DEDYPNTBSA-N 291.350 4.608 30 10 CJEE CC[C@H](C)c1ccc(-c2cc(C#N)nn2CC(C)C)cc1 76849429 XXJDNSILMQFSKU-AWEZNQCLSA-N 281.403 4.591 30 10 CJEE CC[C@H](C)Oc1ccc(-c2cc(C#N)c(C3CC3)o2)cc1 77083659 BJIDVOACZLIJQB-LBPRGKRZSA-N 281.355 4.873 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(Cl)c(C#N)c2)C1 79974271 SZIBNJCSLRNQQV-ZDUSSCGKSA-N 262.784 4.592 30 10 CJEE Cc1cccc(CSC[C@H](C#N)c2ccccc2)c1 80800936 BTRBHJOGHHXCJV-KRWDZBQOSA-N 267.397 4.536 30 10 CJEE COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(C)c1 83193042 CBWUVAPCVZHFGN-CSKARUKUSA-N 286.758 4.553 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(C)cc(C)c2)C1 87973055 GGNZQOSAPCCIBL-WMZOPIPTSA-N 255.405 4.956 30 10 CJEE CC1(C)CCC(C#N)([C@]2(O)CCCC(C)(C)CC2)CC1 91903357 OKTVDFVGWMHCHC-SFHVURJKSA-N 277.452 4.818 30 10 CJEE Cc1cc(OC[C@@H](CS)c2ccccc2)ccc1Cl 94582252 MAOKNNHJDWWXAM-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE C=C(CC)C[C@H](CSc1ccccc1)NCCC 97208847 WYDBSFDMEGPEFU-OAHLLOKOSA-N 263.450 4.503 30 10 CJEE CCOc1ccccc1/C=C1/CC[C@H](C2CCCC2)C1=O 104376955 RPNARAYNNNPCBU-VZVUQDNOSA-N 284.399 4.638 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(Cl)cc(Cl)c1OC 107655057 DJNKHAXNOUHTGE-ZJUUUORDSA-N 271.187 4.765 30 10 CJEE CCC#CC[C@H](C)c1cc(C)cc(C)c1OCCC 107665145 LCVIETYNZSDIQO-HNNXBMFYSA-N 258.405 4.999 30 10 CJEE COc1ccc(Cl)cc1Nc1cccc(Cl)c1C#N 110252326 ZFPFNPMCICPZAF-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE Cc1cc(Cl)ccc1Nc1nc2c(cc1C#N)CCCC2 110253545 USMLLHYJKNLTPP-UHFFFAOYSA-N 297.789 4.538 30 10 CJEE C[C@H](CCNc1ccc(Cl)cc1C#N)c1ccccc1 110258370 HOTXLXIWGAAQGT-CYBMUJFWSA-N 284.790 4.817 30 10 CJEE Cc1ccc(Cl)c(Oc2ccc(Cl)cc2C#N)c1 110262531 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4.840 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(F)F 2308736815 SNLDFPCFOOXEPN-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2CC[C@@H]1C2 2313176286 PWQLDPNKHGJFLW-NXOAAHMSSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(Cl)c1 2315465841 PRARDTNFEZQXMR-XJKCOSOUSA-N 263.812 4.735 30 10 CJEE C=CCC(CC=C)[C@H](CCCC(C)(F)F)NCC 2316744136 LJSXWVKGPQPOKK-AWEZNQCLSA-N 259.384 4.558 30 10 CJEE C=CCC(CC=C)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O 2316750123 QPLPFQOOFADZSJ-FVQBIDKESA-N 250.426 4.578 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(C)c2sccc2c1 2319289366 SCXHTFYVUJDULT-OAHLLOKOSA-N 259.418 4.827 30 10 CJEE CC1=C(C)C[C@H](COC[C@@H](CS)C(C)(C)C)CC1 2320241462 URAIBZSRQCRSFA-CABCVRRESA-N 270.482 4.732 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C(C)C)C(C)C)NCC 2321101872 MMZYROPIPROPDM-MRXNPFEDSA-N 253.474 4.885 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1CC(C(C)C)C1 2321130941 MXRLNHCPLZLSMJ-BACDZXNISA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NC 2321144331 HIVWQGMZWBYLSA-KKUMJFAQSA-N 251.458 4.639 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2cccc(Cl)c2)C1 2327170538 JOPMQUICNDOKQP-UHFFFAOYSA-N 261.796 4.948 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@H]2C2CCC2)CC1 2332673476 GHXLEUHALNSGPZ-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C)OC(=O)c1sccc1-c1ccccc1 2335110996 QYDGJFWDQQNQKJ-GFCCVEGCSA-N 272.369 4.537 30 10 CJEE C[C@@H](CC1CCC1)[C@@]1(C#N)CCc2ccccc2C1 2335230494 ACKLGSINVHIVFQ-KSSFIOAISA-N 253.389 4.512 30 10 CJEE C=C(C)CCCC[C@H](C[C@@H]1CCC1(F)F)NCCC 2335415807 RSCYDQHYDDWVAG-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC)CCC[C@@H](CC)C1 2338726782 DVDIEBQGEOIGIR-AEFFLSMTSA-N 263.469 4.951 30 10 CJEE C=CCCC[C@@H](C)NCC(C)(C)Cc1ccccc1 2339391685 XSAQUFTXHDPDGT-MRXNPFEDSA-N 259.437 4.590 30 10 CJEE C=CC[C@](C)(NC[C@H]1CC[C@@H]1C(C)(C)C)C(F)(F)F 2343363197 MWMAURFNKLYPKG-DYEKYZERSA-N 277.374 4.545 30 10 CJEE CCCCCCC[C@@H](CC1(C(C)(C)OC)CC1)NC 2343756717 GNQWIDUGSBCUMW-HNNXBMFYSA-N 269.473 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C2CCC2)c1 2344337197 OSMUJLKRDWONDE-MSOLQXFVSA-N 257.421 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1ccccc1CC 2344337887 VIWMAXXDPMGXJE-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc2ncsc2c1 2344355353 GGPWVLMQHCCHLP-HNNXBMFYSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CCC2(CCCC2)C1 2344356715 NXTGLZANMHZSLU-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1[C@H]2CCCC[C@H]21)NCC 2344371146 IAVFLVRIYYNILI-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](C/C=C/c1ccccc1)NCCC 2344379833 JPMGNPBOWJQNMU-MKPVWWQNSA-N 257.421 4.670 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(CC)c1 2344381449 UXIFXVGVIOWHBM-ZWKOTPCHSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CC(F)(F)C12CCC2 2344420968 OSRIXBWIVONZGH-JSGCOSHPSA-N 270.363 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C2(C)CC2)cc1 2344458456 YHTYASNTTXLIAF-DLBZAZTESA-N 258.405 4.764 30 10 CJEE C=CC[C@@H](C)S[C@]1(C(=O)O)CC(C)(C)CCC1(C)C 2352223599 MHAJZBKEUBQFAQ-WBMJQRKESA-N 284.465 4.744 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358666211 WYOLBYHPCCMPES-WCVJEAGWSA-N 285.422 4.782 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@]12CCC[C@@H]1C2 2360081465 NEWINULUWLLUTC-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 19922424 MLEYFXUGZLMSSZ-LLVKDONJSA-N 290.288 4.750 30 10 CJEE CC[C@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147037 INHRHABVIPNKLC-ZJPYXAASSA-N 290.495 4.996 30 10 CJEE N#C[C@H](Nc1ccc(F)cc1)c1cccc2ccccc12 37935822 LUYWXIMSLRQLOK-SFHVURJKSA-N 276.314 4.656 30 10 CJEE Cc1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1Cl 54823001 ZZHLEJDLLYFRGA-SWLSCSKDSA-N 262.784 4.533 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)Cc1cccc(Cl)c1 57736452 RDQOPVYFSQJOKC-AWEZNQCLSA-N 285.774 4.507 30 10 CJEE CCCCCCCN[C@H](C)c1cccc(OC(F)F)c1 59422874 XLDLPFHNFRPACM-CYBMUJFWSA-N 285.378 4.909 30 10 CJEE N#C[C@@H](CSc1ccc(Cl)cc1)c1ccccc1 80800557 IWCBGCOQJQGLLO-ZDUSSCGKSA-N 273.788 4.739 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCC[C@@H](C2CC2)C1 81642595 CFGVWBSMUCSMSY-CJNGLKHVSA-N 274.795 4.614 30 10 CJEE COc1ccccc1/C=C/C(=O)c1cc(C)ccc1SC 83193159 VVJCCZLMRCBLET-MDZDMXLPSA-N 298.407 4.622 30 10 CJEE CCCCCCCCCCCCOC1CC(CN)C1 91460806 WHFPBBVYYLPVKU-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE C=C1CC[C@H](C[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@@](C)(C(=O)O)[C@H]1CC/C(C)=C\CO 94183082 IPUFJAIDKFIUIZ-UHFFFAOYSA-N 472.710 6.538 30 10 CJEE CCN(CC1(CS)CCCCCC1)c1cccc(F)c1 94580136 CWVKSMQLDPLYSB-UHFFFAOYSA-N 295.467 4.922 30 10 CJEE CCCCN(C[C@H](CS)c1ccccc1)[C@@H](C)CC 94581558 HUQKMAPICNQLQU-DOTOQJQBSA-N 279.493 4.601 30 10 CJEE CCC(CC)(CS)COc1ccc(C(F)(F)F)cc1 94582288 SSZBKENZMPBUKD-UHFFFAOYSA-N 292.366 4.820 30 10 CJEE SCC1(COc2ccc(Cl)cc2)CCCCCC1 94582830 BHTNAYDYBPRZFE-UHFFFAOYSA-N 284.852 4.989 30 10 CJEE SCCCCCCCCCOc1ccccc1 97799664 FPFILRSPJMXSJX-UHFFFAOYSA-N 252.423 4.726 30 10 CJEE Cc1ccc(C)c(Sc2ccc(C#N)c(Cl)c2)c1 104179851 IVGYUTRNRXCRAL-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCCO[C@H](c1ccc(Cl)s1)[C@H](C)N 105567602 LHBAGPSUUUUMPP-FZMZJTMJSA-N 289.872 4.777 30 10 CJEE CC#C[C@@H](C)Cc1ccc(OCC)c(C(C)(C)C)c1 107591445 ZULMHUYQKURDOT-CQSZACIVSA-N 258.405 4.585 30 10 CJEE CCCOc1ccc(Nc2cccc(Cl)c2C#N)cc1 110258137 VGUULDQSTVSJHE-UHFFFAOYSA-N 286.762 4.744 30 10 CJEE C[C@H]1CCC[C@H](SCCCOc2cccc(C#N)c2)C1 110354848 DSMPVFBFQDVOOO-YOEHRIQHSA-N 289.444 4.639 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCc2cccc(C)c2)C1 110355003 FPXSYVYHRZLHPY-HYVNUMGLSA-N 273.445 4.947 30 10 CJEE CCCCCCCCCOC(=O)c1c(N)cccc1Cl 111238162 WANRMUDZDCAEKC-UHFFFAOYSA-N 297.826 4.830 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@@H]1CC 114349260 BUBUXIJMRVTWNC-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CCc2ccccc21 116271973 LJRICKFWXOYDQQ-ZWKOTPCHSA-N 259.437 4.665 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1c(F)cc(F)cc1Cl 124192607 RWLJHBSOYKSBCZ-TVQRCGJNSA-N 284.737 4.503 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1c(F)cc(F)cc1Cl 124304646 XDUAXJOGSLGGQF-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](CC)OCC 125004861 RQIMMTALZJNPMY-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE N#C[C@H](CC1CCCCC1)Nc1ccccc1Cl 125224968 HDVQXWZZEMCQNU-ZDUSSCGKSA-N 262.784 4.614 30 10 CJEE CSc1cccc(Sc2ccc(F)cc2)c1C#N 136989254 QHFJCHIAYADXTD-UHFFFAOYSA-N 275.373 4.570 30 10 CJEE CCCCCCCCC[C@H](N)Cc1cccc(F)c1F 148692422 ITXPGEWPNNKPRA-HNNXBMFYSA-N 283.406 4.975 30 10 CJEE CCCCCCCCNc1nc(CC)nc(NCC)c1C 159056413 IHCBGMDWIFFJFO-UHFFFAOYSA-N 292.471 4.552 30 10 CJEE C=C(C)CN[C@H](c1ccccc1)c1cc(C)ccc1C 163648218 QOZUHKICNTUTBR-LJQANCHMSA-N 265.400 4.559 30 10 CJEE CCCCCCC[C@H](NC)C1(OC)CCC(C)(C)CC1 166796835 BXWWDEYAGSUQQH-INIZCTEOSA-N 283.500 4.920 30 10 CJEE CN(C1CCCCC1)[C@@H](C#N)c1ccccc1C(F)(F)F 213029285 CIBPJGIOWRYBMW-HNNXBMFYSA-N 296.336 4.535 30 10 CJEE C=CCn1nc(-c2ccc(CCCCCC)cc2)cc1C=O 213456797 DGVWPFNABCFTNO-UHFFFAOYSA-N 296.414 4.671 30 10 CJEE CCCCCCCCc1cnc2c(O)cccc2c1 218892319 RGJFTUWRSCDRDK-UHFFFAOYSA-N 257.377 4.843 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C)c1nccs1 231901355 URIOEWDFJYNUAH-ZIAGYGMSSA-N 268.470 4.585 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1NCCCCC(C)(C)C#N 232698555 VBAGPFYFWHFIII-HOTGVXAUSA-N 264.457 4.511 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(Cl)o1 232953895 YHOAHGZTUCRAAQ-GFCCVEGCSA-N 257.805 4.944 30 10 CJEE CCCC[C@H](CC)COCCCCC(C)(C)C#N 233063687 MJTOKEGYNUPSHV-HNNXBMFYSA-N 253.430 4.939 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](OCC)C(C)(C)C 233163943 AUTGFBDBSITQSU-SJORKVTESA-N 283.500 4.942 30 10 CJEE C=CCCCCC[C@H](NCC)[C@](C)(CC)N(CC)CC 233542434 LQKJGXHDKOINHR-ROUUACIJSA-N 282.516 4.612 30 10 CJEE Cc1ccc2c(ccn2CCCCC(C)(C)C#N)c1 235914158 KOZLCHIPWGSWLU-UHFFFAOYSA-N 254.377 4.670 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](/C=C/C)c1ccccc1 238029740 ASODXXYVMIVIJJ-HKUPYCBJSA-N 287.403 4.727 30 10 CJEE CCCCCCCCCCNC[C@H]1CC[C@H](C(=O)O)CC1 253115709 FTIAGVYCVPULDX-QAQDUYKDSA-N 297.483 4.608 30 10 CJEE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1CC/C2=N/N 253571296 OTWRKZRQJVDSJI-GELYEKJPSA-N 288.479 4.734 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 300258590 XQJARFVQDSRINK-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=C([C@@H](CCCCCCC)NCCC)C(F)(F)F 310959273 BLLHBRPMUZGIPD-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE CCCCC1CCC(CC#CC(C)(C)C)(C(=O)O)CC1 312278806 HIVQNXXCBRNOLV-UHFFFAOYSA-N 278.436 4.877 30 10 CJEE N#CC1(c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCCCC1 312498725 XLLJZIQREYSNCR-UHFFFAOYSA-N 296.729 4.503 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccc(C(F)(F)F)cc2F)C1 312512154 ZUSVASFOACVFRA-YGRLFVJLSA-N 285.284 4.816 30 10 CJEE Cc1cc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c(C)c(C)c1C#N 312813680 RVMASPPERHDISM-MQIPJXDCSA-N 271.404 4.687 30 10 CJEE CCCC1CCC(C=O)(Cc2csc(Cl)n2)CC1 316821160 KLNPOTCQMOBSGH-UHFFFAOYSA-N 285.840 4.515 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2C[C@H]2c2ccccc2)CC1 317641677 YLRZWPLQLWZTQL-FTJRRQOFSA-N 270.416 4.822 30 10 CJEE CC[C@H]1CCC[C@@](CC#CC(C)(C)C)(CNC2CC2)C1 318213611 SZEKJLIXUGGBSD-LPHOPBHVSA-N 275.480 4.765 30 10 CJEE CC(C)CC[C@](O)(C1CC1)C1(C#N)CCCCCCC1 380216397 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CJEE C=C1CCC(CNC[C@@H]2[C@H]3CCCCCC[C@H]32)CC1 2340814988 ZVWCJPDGRGSGKK-PIIMJCKOSA-N 261.453 4.539 30 10 CJEE CN[C@H](C#CC(C)(C)C)CCc1cc(Cl)cc(Cl)c1 2341114110 JMCXNNJZRUKESJ-HNNXBMFYSA-N 298.257 4.564 30 10 CJEE C=CCC(CC=C)Sc1cccc(OCC)c1C=O 2341808783 JFFTXHCVCGLTQW-UHFFFAOYSA-N 276.401 4.511 30 10 CJEE C=C[C@@](N)(c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C 2342455458 ZYKACYCDZBOLPO-CYBMUJFWSA-N 291.744 4.745 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCCCC1(F)F)NCC 2344339722 LRNQYNOVPSYXHQ-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC[C@@]12CCC[C@@H]1C2)NCC 2344384174 KWYPSHLHFUUAIE-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(F)c1F 2344385026 NVQVPSCVKUMUIV-BONVTDFDSA-N 287.781 4.871 30 10 CJEE CC(C)(C)[C@](C)(CS)COCC1CC2(CC(F)C2)C1 2352110595 ONEUYNVEOPMPKQ-DBINIWSISA-N 288.472 4.514 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H](C)[C@@H]1CCC[C@H](C)C1 2353838380 TVIVFEWNRZEIIE-VVLHAWIVSA-N 285.541 4.725 30 10 CJEE CCCCCCC[C@](C)(N[C@H](C)CCCCC)C(=O)O 2353862055 CHQAONKROXIDAX-WBVHZDCISA-N 285.472 4.749 30 10 CJEE COC[C@@H]1CC[C@H](CC2(C#N)CCC(C(C)C)CC2)C1 2356001591 JKYNEAFTXYDETN-KNXWPPODSA-N 277.452 4.795 30 10 CJEE C=CCC(CC=C)Sc1cccc(C)c1C[C@H](N)CC 2360207823 KTUWKSNVEUIVCX-OAHLLOKOSA-N 289.488 4.888 30 10 CJEE Cc1ccc(N/N=C/c2c(C)[nH]c3ccccc23)cc1Cl 4924241 WDCLKZZOHSQPPE-VXLYETTFSA-N 297.789 4.884 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NCC1CCCCC1 37259970 ZGGFUUAJDQFIKK-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE N#Cc1sc(-c2ccsc2)c(-c2ccccc2)c1N 44273990 CIOHNKINKMZADG-UHFFFAOYSA-N 282.393 4.597 30 10 CJEE Cc1ccc(C)c(OCC[C@H](C#N)c2ccccc2C)c1 57686959 WPWKGVCLUBDESK-QGZVFWFLSA-N 279.383 4.688 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)Cc1ccc(C(C)C)cc1 57744200 DRKYEULAEHKEBW-GOSISDBHSA-N 293.410 4.977 30 10 CJEE CCCCCCCCNc1ccccc1N1CCCC1=O 59090695 HQVBGKMQJZJMNH-UHFFFAOYSA-N 288.435 4.586 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](Cn1ccnc1)C(C)(C)C 59487439 VEHDKLJACNQZSH-IRXDYDNUSA-N 293.499 4.636 30 10 CJEE CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 59518417 YUCCSVIGDPSFQH-HTXNQAPBSA-N 297.358 4.601 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](SCC2CCCC2)C1 62836078 GTJHTHQTCBOCOZ-NWANDNLSSA-N 251.439 4.628 30 10 CJEE Cc1cc(-c2nc(-c3cccc(C#N)c3)cs2)ccc1F 62938276 SWWSRROUJQOIDE-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE CCCCCCc1ccc(-c2cc(C#N)nn2CC)cc1 76849130 IMCMDDUHVIHCAC-UHFFFAOYSA-N 281.403 4.564 30 10 CJEE CCOc1ccccc1-c1cc(CC#N)c(C(C)C)o1 77079171 VQYYHMFGLYYOOZ-UHFFFAOYSA-N 269.344 4.535 30 10 CJEE CCc1ccc(-c2nc(C(C)C)c(CC#N)s2)cc1 82431295 YLPUSMQYQILTIP-UHFFFAOYSA-N 270.401 4.562 30 10 CJEE Cc1ccc(SCC2(CS)CCCC2)cc1 87096036 UVJPXIULGIXGET-UHFFFAOYSA-N 252.448 4.577 30 10 CJEE Cc1ccc2[nH]c(=S)n(-c3cc(Cl)ccc3C#N)c2c1 94660420 VRXIPKXQRUVMIN-UHFFFAOYSA-N 299.786 4.522 30 10 CJEE C=C(CC)CNc1ccc(C(F)(F)F)cc1Cl 97208066 CWAIWQWMWNJIAF-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CCCCCCCO[C@H]1C[C@H](C)CC[C@@H]1NCCC 103976076 QHKYIDPISKXNLR-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCc1ccccc1Oc1cc(Cl)ccc1C#N 104180155 RHXYJFLNZLFTRO-UHFFFAOYSA-N 257.720 4.566 30 10 CJEE CCCCCCCCCCNCCC(F)(F)F 110169728 SJBHURHPRQHFDL-UHFFFAOYSA-N 253.352 4.669 30 10 CJEE C[C@@H](c1ccccc1F)N(C)c1ccc(C#N)cc1Cl 110258593 XNMKZSZPUJVPCU-NSHDSACASA-N 288.753 4.548 30 10 CJEE CCCCCCCCC[C@H](COCCC)NCC 110446572 ZFSHULQKOXULJO-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccccc1SC(F)F 111035795 UJEREVYSLUZAFW-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(OC)c1 112884906 JMXLTMWIBPJGTI-QGZVFWFLSA-N 264.409 4.869 30 10 CJEE CCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1NCC 122991453 JOOOIHAOIHYYQL-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCNC1=NCCCCC1 124847010 JHGKYVGKHACCJJ-UHFFFAOYSA-N 252.446 4.689 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(F)cc1F 126145548 JRXNDGFVLWCCRJ-MRXNPFEDSA-N 284.394 4.610 30 10 CJEE Cc1ccc([C@](C)(O)C2(C#N)CCCCCCC2)s1 127276616 PJTDUNAAUULIMW-HNNXBMFYSA-N 277.433 4.518 30 10 CJEE CCCCCCCC[C@H](O)C[C@H]1Cc2ccccc21 129639291 QWQMHMGAVFHXNT-SJORKVTESA-N 260.421 4.828 30 10 CJEE CCCCCCC[C@H](NN)c1cc(C)cc(Cl)c1 130027877 AGTHNDXXGJALAF-HNNXBMFYSA-N 268.832 4.513 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CCCCO1 134418598 FTDKNLCOZGJOCH-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE C[C@H](NCc1ccc2ccccc2c1)c1ccc(C#N)s1 134823274 IMBXLJQTDPRURE-ZDUSSCGKSA-N 292.407 4.624 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H](N)c2ccccc21 157467518 BDFXQAVLYAQIAU-RTBURBONSA-N 288.479 4.862 30 10 CJEE C=C[C@@H](C)N[C@H](c1cccs1)c1ccc(Cl)s1 159741511 CYZMDPNWIHDBPS-NOZJJQNGSA-N 283.849 4.717 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccnn1CCC 165567190 AZMUTKLUIWDEHQ-INIZCTEOSA-N 279.472 4.694 30 10 CJEE N#C[C@H](c1ccc2ccccc2c1)c1ccc(N)cc1Cl 167255580 KMYMQVGQSMNSJD-QGZVFWFLSA-N 292.769 4.731 30 10 CJEE CCCCCC/C=C/NC(=O)Oc1ccccc1Cl 207033376 FAKJMFZCMGBXNX-FMIVXFBMSA-N 281.783 4.913 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2OC)C1 217534798 RLCHOESOOAGARD-IOASZLSFSA-N 275.417 4.506 30 10 CJEE C#CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 227926440 KAYMMXOBVWOMSK-HZPDHXFCSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@H]1C[C@H](NCC)c2ccc(F)cc2O1 229339199 JQRZHUGDWLFHAG-WBVHZDCISA-N 293.426 4.988 30 10 CJEE CC(C)(CCC#N)CNc1ccc(Cl)cc1Cl 229668190 BFMFTNJHZLDESZ-UHFFFAOYSA-N 271.191 4.735 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc2ccncc12 232016547 LCCJYYWEYFELMC-GOSISDBHSA-N 270.420 4.856 30 10 CJEE C=CCCCCCC(=O)C1(c2ccccc2)CCC1 232558697 JZJGDOGIHWQMPF-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE CCCCCCCOCCC[C@@H](CC)NCCC 232931221 WRZWTCOHOXVBAF-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@@H](C(=O)O)c1ccccc1N 232957607 GBONYXMFZDPADN-OAHLLOKOSA-N 277.408 4.578 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)C[C@@H](C)CC 232963640 OYLXPTBSHXFOSE-ROUUACIJSA-N 284.532 4.822 30 10 CJEE O=C(C1=CCCCC1)c1cc2cccc(Cl)c2o1 236070905 JHBWSYNFVOHHFQ-UHFFFAOYSA-N 260.720 4.769 30 10 CJEE C=CCCCCCC(=O)Cc1ccc(C(F)(F)F)cc1 236146942 HZRLFAVPXBPDSR-UHFFFAOYSA-N 284.321 4.954 30 10 CJEE C=CCCCCC[C@H]1CCCc2ccccc2[C@H]1O 236547433 KNJFIZRBAHMXJH-WMZOPIPTSA-N 258.405 4.809 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(OCCCC#N)c1 252219491 YQNXHFPJPAJLET-RVKKMQEKSA-N 286.419 4.606 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 252896271 BFZPAKQONYSULH-XAJHFOFHSA-N 270.457 4.548 30 10 CJEE C[C@@H](C#N)Cc1cc2cc(C(F)(F)F)ccc2s1 260001150 KXMQNQMOSICQRB-MRVPVSSYSA-N 269.291 4.622 30 10 CJEE Cc1cc(C2(C#N)CC2)cc(Cl)c1OCc1ccccc1 260677840 RYISTMCSFJGVGN-UHFFFAOYSA-N 297.785 4.783 30 10 CJEE C=CCCCCCCN[C@H](C)c1cccc(F)c1F 312061706 IQEDYVXHJQLSKR-CYBMUJFWSA-N 267.363 4.752 30 10 CJEE CCCC[C@H](C)N(C)c1cccc(SCC)c1C#N 312127055 ZWMPKLJEDFSMFU-ZDUSSCGKSA-N 276.449 4.685 30 10 CJEE C=CCCCCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 312437951 BFIXZPBGWDZZLT-BHIYHBOVSA-N 271.448 4.905 30 10 CJEE C#Cc1cccc(N[C@H]2CCCC23CCCCC3)c1 313019334 WXBCNBMWRWXFMC-KRWDZBQOSA-N 253.389 4.583 30 10 CJEE C=CCOCCC1(CNC(C)C)CCC(CCC)CC1 317824444 CQMIXXSUIIFFGN-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE CCC1CCC(C=O)(C[C@H]2Cc3ccccc3S2)CC1 317930422 VFQSXJAVLOTFTQ-BFHRDPOASA-N 288.456 4.879 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccc(COC)o1 382449330 BCIIQYMWNUYRRE-INIZCTEOSA-N 282.424 4.990 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1csc2ccccc12 384705839 CDABKDGQTJGTHH-DQYPLSBCSA-N 285.412 4.655 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC[C@H]2C)c(Cl)c1 384857170 MDPWMFGCCRWFQE-CJNGLKHVSA-N 261.796 4.911 30 10 CJEE C=CCCCCCCNc1c(N)ccc(Cl)c1C 385167376 NQJRJFBFXZDVKF-UHFFFAOYSA-N 266.816 4.779 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1oc2ccccc2c1C 393772067 HRYDETGDECAAJB-KBPBESRZSA-N 257.377 4.747 30 10 CJEE CCC(=CC(=O)c1ccc(C(F)(F)F)s1)CC 394999675 ZRIBKRVRGNDGDZ-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CC)[C@H]2CC2(C)C)CC1 397586889 ATIINNYFFUXBCN-QZOMQWOVSA-N 277.452 4.674 30 10 CJEE N#Cc1c(Cl)nsc1-c1ccc(Cl)c(Cl)c1 575434356 QJBVUTOJYUCRQR-UHFFFAOYSA-N 289.574 4.642 30 10 CJEE CC(C)[C@@H]1CCCCC/C1=C/B1OC(C)(C)C(C)(C)O1 575598177 RLPIADVEDWSKIZ-ZSMUJPCHSA-N 278.245 4.781 30 10 CJEE C=CCCCCCN(C)C(=O)CCCc1ccc(C)cc1 606813720 BDEIDYALKYIKLW-UHFFFAOYSA-N 287.447 4.523 30 10 CJEE O=C(/C=C\c1ccccc1)c1ccc(F)cc1C(F)(F)F 642882765 JYQPXSQOXMTVEM-TWGQIWQCSA-N 294.247 4.741 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(C)cc(C)c1 686690137 OLQVUMYYNIVVCR-SFHVURJKSA-N 257.421 4.538 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@@H]2CCC(C)(C)O2)C1 688003987 GMFZOSWNTRTJRR-AWEZNQCLSA-N 280.452 4.756 30 10 CJEE C[C@@H]1CC[C@H](CC2(C#N)CC(C)(C)CC(C)(C)C2)O1 688341543 HNZAZBGNUINABE-ZIAGYGMSSA-N 263.425 4.690 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)F)cn1 692226736 IEXGTQJJDFIHNC-YPMHNXCESA-N 266.335 4.566 30 10 CJEE CN(CCCCCS)C1CC(C)(C)CC(C)(C)C1 693054005 JACQLLBRYWUYOL-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE CC(C)(C)[C@@H]1C[C@@H]1COCC1(CS)CCCCCC1 703621349 AAKVVLXSOXEDHA-HUUCEWRRSA-N 284.509 4.956 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1cncc(Cl)c1 703631359 KXBOETQXDBIHAI-MRXNPFEDSA-N 283.843 4.779 30 10 CJEE N#Cc1ccc(-c2cc(Br)ccc2Cl)cc1 705949737 KAQBCHLHQAQVJK-UHFFFAOYSA-N 292.563 4.641 30 10 CJEE CCCCCCC[C@@H](C)NCc1csc(C2CC2)n1 708202761 RTYQTBDTPOKOMM-CYBMUJFWSA-N 280.481 4.859 30 10 CJEE N#Cc1ccc(N2CCC[C@H]2C2CCCCC2)c(Cl)c1 708491916 LVJHMDAWNXTPJW-INIZCTEOSA-N 288.822 4.761 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC1CC1 710624443 WUTKZRAJRNLZHK-RRFJBIMHSA-N 269.860 4.570 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714452841 WYDMUUIPWDXHRP-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1sccc1Cl 715786327 HYRKKFBQNDUKAO-PWSUYJOCSA-N 257.830 4.654 30 10 CJEE CCCCCCCCC[C@@H](COC1CC1)NCCC 716880934 NFWRFXFBBCRXRL-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCCCCC[C@H](O)c1cscc1C(F)(F)F 717257478 QZHQKLNJQJDUQH-LBPRGKRZSA-N 278.339 4.937 30 10 CJEE CCCCCCC[C@@]1(C)[C@@H](C)C(=O)NC12CCCCC2 721063973 QVRLEIPHMADBGC-RDJZCZTQSA-N 279.468 4.822 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(SC)cc2)CC1 724542770 SPAOCROGHVUKTN-INIZCTEOSA-N 262.418 4.578 30 10 CJEE CC[C@H](CC1CC1)/N=C1/N[C@H](C2CCCCC2)CCS1 725106378 UOINPALYWPVTCB-CVEARBPZSA-N 294.508 4.597 30 10 CJEE N#CCCCn1ccc2c(-c3ccc(Cl)cc3)nccc21 821289470 KQLBYEQPVBNXRH-UHFFFAOYSA-N 295.773 4.660 30 10 CJEE CC1(C)CC(N2CCCC2)=CC(=Nc2ccccc2)S1 1088673318 LKNDRKNASHWEQE-UHFFFAOYSA-N 286.444 4.612 30 10 CJEE C=CCC1(C(=O)Nc2cccc3[nH]ccc23)CCCCC1 1125747464 QKJDUFPCYBJVRC-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE C=CCC1(C(=O)O[C@@H]2CC[C@@H](C)C[C@H]2C)CCCCC1 1126375846 HUDSUWBGBDZZAG-BZUAXINKSA-N 278.436 4.881 30 10 CJEE CC#CCCN[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 1205136737 HWOCZQJXTUJAQT-CJNGLKHVSA-N 296.241 4.633 30 10 CJEE C=CC1(CC(=O)NC2(C)CCC(C)(C)CC2)CCCCC1 1287817351 BRQXZEMHJROLEN-UHFFFAOYSA-N 291.479 4.988 30 10 CJEE C=CCN(Cc1ccccc1)c1nc2cc(C)ccc2s1 1307079379 OPUCWALJPDDRDC-UHFFFAOYSA-N 294.423 4.797 30 10 CJEE C=CCCCCCN1C[C@H](C)Cc2cccc(F)c21 1308019982 QATKZIJXZVHRPD-CQSZACIVSA-N 261.384 4.571 30 10 CJEE C=CCCC1(CNCc2c(F)cccc2F)CCCC1 1308463623 JPLGSLLMEWPGPF-UHFFFAOYSA-N 279.374 4.581 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](c1ccncc1)C1CC1 1308971881 JZXYXMCBJGLCIQ-CRAIPNDOSA-N 272.436 4.647 30 10 CJEE C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 1357753813 SZZHDSLJAAJTRD-IRXDYDNUSA-N 291.479 4.724 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCC2CCCCCC2)c1 1359803369 GLJBIBHLAQMQNM-UHFFFAOYSA-N 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281.465 4.934 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1ccc(C)s1 2227289631 AONHYTQGFKCELH-INIZCTEOSA-N 280.433 4.576 30 10 CJEE C=CCCCCCCCNc1cc(OC)ccc1F 2227290877 LDQHKXNCVWLNJY-UHFFFAOYSA-N 265.372 4.773 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncccc1C1CC1 2228781761 QCJKDFKERIEXCT-GOEBONIOSA-N 256.393 4.506 30 10 CJEE C=C([C@@H](NCCC)[C@]1(C)CC=C(C)CC1)[Si](C)(C)C 2229023263 ZAFGRZSTLFJCQA-IAGOWNOFSA-N 279.544 4.925 30 10 CJEE CCCCCCCCC[C@]1(O)CCCc2scnc21 2229688598 ZQWUSAAHAYBJGR-INIZCTEOSA-N 281.465 4.808 30 10 CJEE C=CCC1(NC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 2230668214 BFUWXDSWPQRTEJ-BRWVUGGUSA-N 261.453 4.681 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)CC(C)(C)CC(F)(F)F 2231483005 IECFGVIJZRHMAH-QWHCGFSZSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1C(F)(F)C12CC2 2231933959 BMVXFYRBONCNTP-UONOGXRCSA-N 273.411 4.760 30 10 CJEE CCCCCCCCNCCC1CC(OC(C)(C)C)C1 2232950651 NRQMHQHQZUXRTN-UHFFFAOYSA-N 283.500 4.920 30 10 CJEE CN(C[C@H]1C[C@H]2CCC[C@H](C2)C1)C[C@@H](CS)C(C)(C)C 2233543422 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C=C(C)CON=C(CC)c1ccc(SCC)cc1 2330293031 XVPBQQBJFSFNTP-UHFFFAOYSA-N 263.406 4.505 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N 2335201081 QXCWLZZKBDVPEZ-CWRNSKLLSA-N 281.509 4.783 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1cccc(C)c1 2337079872 YWYZOYZGDJQAKA-RYQLBKOJSA-N 257.421 4.781 30 10 CJEE CCCCCCCCC(=O)C[C@H]1CO[C@]2(C)C[C@H]1C2 2337810688 SPZRPRROCIMNEX-YQQAZPJKSA-N 266.425 4.511 30 10 CJEE CC(=CC[C@]1(C#N)CCCOCC1)CCCC(C)C 2338442710 NSUYFFHUSHEQCR-QGZVFWFLSA-N 263.425 4.860 30 10 CJEE C#CCCN(CC1CCCCCC1)C1CCCCC1 2338898728 HUEVBQRSUAUMNC-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=CCCCCCCC[C@]1(O)C[C@H]2C[C@H]1CC21CC1 2339214872 LGBLFGCJYLHYFJ-RYRKJORJSA-N 262.437 4.844 30 10 CJEE Cc1cc(O[C@@H](C)[C@@H](C)C(C)C)c(C)c(C)c1C#N 2340204429 AZGNZEANPRFNEL-WFASDCNBSA-N 259.393 4.543 30 10 CJEE CC(C)(C)C#CCNCCCc1cc(Cl)cc(Cl)c1 2341170105 UKWHREUZFHRBBJ-UHFFFAOYSA-N 298.257 4.565 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(COC)s1 2342074546 OJNHRRXQQNARNT-BBRMVZONSA-N 281.465 4.538 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2342328770 LYASFLOBWCMZMG-RNCFNFMXSA-N 291.744 4.832 30 10 CJEE CCCCCCC[C@H](NC)C12CC(CC(F)F)(C1)C2 2344876855 IMIVIXPVFVOYFE-JEYLPNPQSA-N 273.411 4.760 30 10 CJEE Cc1c(Cl)ccc([C@](C)(N)CC#CC(C)(C)C)c1Cl 2353124863 VWIJXSGCZJBUOD-MRXNPFEDSA-N 298.257 4.915 30 10 CJEE C=CCCCCCCCCCC1(N)CC2(CSC2)C1 2353397372 NNBXVPWVSTXZRE-UHFFFAOYSA-N 281.509 4.908 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358666141 VNVKBEQZAXRQDA-FZKCQIBNSA-N 285.422 4.912 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CCCC[C@@H]1C2)OCCN 2360107001 FHOJJSKZQKTKFX-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE Cc1ccsc1/C=N/c1c(F)c(F)c(F)c(F)c1F 3233994 MVMYSEVMMIKFJS-JJPRUIFNSA-N 291.244 4.503 30 10 CJEE Cc1ccccc1/C=C1\CC[C@@H](C2CCCC2)C1=O 3895173 VERFDXWUHGZEQQ-MOKGIYGOSA-N 254.373 4.548 30 10 CJEE CCOc1ccc(/C=N/c2cccc3ccccc23)c(O)c1 3897737 JKJMOEXINWAMSX-DEDYPNTBSA-N 291.350 4.695 30 10 CJEE Cc1ccc(N)c(-c2ccc(C#CC(C)(C)C)cc2)c1 26522628 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258.192 4.610 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CC[C@H](N)C1 133508353 LZNLNDLSKDQYNA-DLBZAZTESA-N 269.473 4.540 30 10 CJEE CCCCCCCCC[C@H](N)c1snnc1CCC 139528445 IRPLCHVHTWXCNR-ZDUSSCGKSA-N 283.485 4.631 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1OCCc2ccccc21 139561187 DNTYQBUJHXJXJO-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CCCCCCCCOCc1cc(C(=O)O)sc1C 155905607 SHYWJVGIXUFVMC-UHFFFAOYSA-N 284.421 4.632 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2c(F)cccc2F)C1 157679598 XSAQJDXXBRAMGK-WBMJQRKESA-N 263.331 4.617 30 10 CJEE CCCCCCCCCn1c(=O)n(CC)c2ccccc21 158077797 FLKLODSHLAUDLG-UHFFFAOYSA-N 288.435 4.574 30 10 CJEE CCCCCCC[C@H](C)NCCCOCCCC 160231422 FDZLXBZYSXRICY-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCC[C@@H](NN)C1CCC1 161833206 SOWMTUITLXWDEI-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C(O)(CC(C)C)CC(C)C)C1 165724793 SVZUGJJUNHJLBG-SJORKVTESA-N 279.468 4.920 30 10 CJEE CC[C@@H](C)CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 167457058 QBYXPAKALVSGGY-KOLCDFICSA-N 284.186 4.606 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2F)CCCC1 213696645 DCLBSMOJXOTDJV-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE CCCCCCCCOc1cc(C)ccc1/C(C)=N\O 215506719 OIKMZITZRJYWAI-SDXDJHTJSA-N 277.408 4.933 30 10 CJEE C=CCCCCCC(=O)c1cccc(Cl)c1C 220303445 AKMKQRHEDSRJII-UHFFFAOYSA-N 250.769 4.968 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(Cl)cc1Cl 220985074 JIMFVURRPYTMIH-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=C(C)[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 229751297 WXAVIJZJMDTXSW-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE C=C(C)CCC(=O)c1ccc(Cl)cc1Br 232452089 KKEVZWGFFROBOA-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(F)c2ccccc12 232842729 NYYDBUZZDFZXRQ-QGZVFWFLSA-N 257.352 4.596 30 10 CJEE CCCN[C@](C#N)(CC)CCCSC1CCCCC1 233191756 BOOAWZWITZWEIM-MRXNPFEDSA-N 282.497 4.504 30 10 CJEE C=C[C@@H](C)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 238439736 JMWIUMBHTYDICT-GFCCVEGCSA-N 271.360 4.714 30 10 CJEE CCCCCCCCCN1CCC[C@H]1[C@H]1CCCC1=O 250799708 CEBLDJNNNMDTDW-SJORKVTESA-N 279.468 4.571 30 10 CJEE CCCC[C@H](CC)CO[C@@H]1CCCCC[C@H]1C#N 251416380 XXZVNCJDMHDETP-HRCADAONSA-N 251.414 4.692 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1 253166366 SHNWBHMJLGMYFG-BBWFWOEESA-N 279.468 4.617 30 10 CJEE Cc1cnc2c(c1)C(=Nc1ccccc1)c1ccccc1-2 254836665 RORZABFZVGMNEY-UHFFFAOYSA-N 270.335 4.540 30 10 CJEE CC(C)(CC#N)c1ccc(C2CC2)c(Br)c1 260282687 CFSZSWGKWUSBLY-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE CCCCCCC[C@@]1(C)[C@H](CNC2CC2)C1(C)C 302399299 JUQLMBOXQWMJNI-WBVHZDCISA-N 251.458 4.761 30 10 CJEE COc1ccc(Cl)cc1[C@H](C#N)[C@H](C)CC(C)C 306109127 UWBOAJYVCAHCSS-BXUZGUMPSA-N 265.784 4.638 30 10 CJEE CCCCCCCCCCC[C@H](N)C1=COCC1 310951004 YWHUBDLAGGJCHS-INIZCTEOSA-N 253.430 4.539 30 10 CJEE C=CCCCCCCNc1nccc2ccsc12 310963438 QBEXXJSDTLUMAB-UHFFFAOYSA-N 260.406 4.845 30 10 CJEE C=CCSc1ccccc1NCc1ccsc1C 311153704 NUSIWPLUJJEWHI-UHFFFAOYSA-N 275.442 4.947 30 10 CJEE C=CCCCCCn1ccc(CNC(C)(C)C)c1CC 312441844 UBQGBKOSTALRJT-UHFFFAOYSA-N 276.468 4.685 30 10 CJEE CCCCCCCC[C@H](CC1(COC)CCC1)NCC 312471081 GSEGLKQATYLMND-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C[C@@H]1CC[C@H]([C@]2(C#N)CCCc3ccccc32)C[C@H]1C 312641810 ZUTDXHMIOWUMRI-IIHSZXCVSA-N 267.416 4.857 30 10 CJEE Cc1cc(C)cc([C@H](C)Nc2cccc(CC#N)c2)c1 313433817 GGNAEHXNHAVDBY-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE Cc1cc(C)c(CC2(C=O)CCC(C)CC2)c(C)c1 317143752 KJRLRNOBXKPMNR-UHFFFAOYSA-N 258.405 4.550 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 317252255 PADCOJQPEYHCCB-WHRQZHCMSA-N 262.437 4.988 30 10 CJEE CO[C@H](CC1(C=O)CCC(C)(C)CC1)c1ccccc1 317258001 PTQQZGYSKWICBY-MRXNPFEDSA-N 274.404 4.550 30 10 CJEE Cc1ccc(C)c(CC2(C=O)CCC(C)(C)CC2)c1 317941894 XGQGUDNNLLOVTB-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE C=C(CC)C[C@]1(CNCC(C)C)CCCC[C@H]1C 318573759 WJOBQGXXRMFUDP-SJORKVTESA-N 251.458 4.785 30 10 CJEE CC[C@](O)([C@H]1C[C@@H]1C)C1(C#N)CCC(C(C)(C)C)CC1 321442762 MVNNOXYKLFHBCL-HAYSGKPRSA-N 277.452 4.530 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cccnc2)ccc1C 366542564 XLNTUSXRIQHDSV-OAHLLOKOSA-N 294.398 4.598 30 10 CJEE CCCCCCCCC[C@H](NCC)c1c(C)cnn1C 380143506 QIEVIHWFDRXQSK-INIZCTEOSA-N 279.472 4.520 30 10 CJEE CO[C@@H](CC1(C#N)CCC(C)(C)CC1)c1ccccc1 381040591 OHVXHMFZMSLEGJ-INIZCTEOSA-N 271.404 4.874 30 10 CJEE C=CCCC[C@H](NCC)c1cccc2ccsc12 386412567 JYNHDGLWDFVWOQ-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE CCCN([C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N)C(C)(C)C 386915413 HZKIYFZZXAFJEF-OWCLPIDISA-N 278.484 4.851 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(Br)cc1 393819749 OCVZBHRGMVBJQS-GFCCVEGCSA-N 296.252 4.702 30 10 CJEE Cc1ccc(C)c(C#Cc2ccc(Br)s2)c1 394863056 NHRNBBNEXGAIRB-UHFFFAOYSA-N 291.213 4.527 30 10 CJEE C=CC(C)(C)CNCC(c1ccccc1)c1ccccc1 395372767 GMUQXNSVDHKUBD-UHFFFAOYSA-N 279.427 4.620 30 10 CJEE CCCCCCCO[C@@H](CNC(C)(C)C)C(C)(C)C 395623831 ZCTJGHRYEYYKQY-HNNXBMFYSA-N 271.489 4.776 30 10 CJEE Cc1cc(C)cc(CSCc2ccc(CC#N)cc2)c1 399158518 CDERDBBCFLXLGI-UHFFFAOYSA-N 281.424 4.803 30 10 CJEE Cc1cc(C)cc(CSCc2ccc(C#N)c(F)c2)c1 404772169 ZZZSBWCGZJRZHM-UHFFFAOYSA-N 285.387 4.748 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@H](N)C1(C)C 404827376 GUZZTJFMOORHGG-FUHWJXTLSA-N 283.500 4.786 30 10 CJEE Cc1ccc(C(C)C)cc1OCC1(C#N)CCCC1 405212852 DZZMKSCHYZVXRS-UHFFFAOYSA-N 257.377 4.581 30 10 CJEE COc1ccc(Cl)c2c(C3=CC[C@H](C#N)CC3)c[nH]c12 527404646 LIDNRNQRCBMTCP-JTQLQIEISA-N 286.762 4.537 30 10 CJEE Fc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 575339774 QGCHBMJQQSHOCR-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(C)c1 606630447 LEFGSTQKNIXGPR-JXMROGBWSA-N 270.759 4.853 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)O[C@@H]1C 686467240 NCNCUTGZBDUQDP-VQHPVUNQSA-N 269.473 4.529 30 10 CJEE C#CCCCCC[C@@H](N)C1CCC(C(C)(C)C)CC1 686681593 RXVZEVDELYMOJW-OFLPRAFFSA-N 263.469 4.750 30 10 CJEE CCC1(CC)CCCN(Cc2ccc(C#N)cc2Cl)C1 690547356 HPASBVYUANUBCG-UHFFFAOYSA-N 290.838 4.614 30 10 CJEE CCCCCCCCC(=O)c1cccc(OC)c1C 691132849 NZEZMBMSKOJLES-UHFFFAOYSA-N 262.393 4.937 30 10 CJEE CC[C@](C)(Nc1ccc(C#N)c2ccccc12)C1CC1 691617511 WVIHOBKPWCLNBA-SFHVURJKSA-N 264.372 4.702 30 10 CJEE CCCCC[C@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698814800 IHMNBSOKLIMEHG-QGZVFWFLSA-N 296.455 4.742 30 10 CJEE C=CCCCOC[C@H](NCCC)c1c(F)cccc1Cl 708930792 WGSSQCNLQKMWTA-HNNXBMFYSA-N 299.817 4.503 30 10 CJEE C[C@@H]1C[C@H](N(C)c2cc(Cl)ccc2C#N)CC(C)(C)C1 709181976 FXSYQCXVCQCKJW-DOMZBBRYSA-N 290.838 4.863 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Nc2ccc(C)c(Cl)c2)C1 710742579 VFRLZQLXGGYWGN-XYPHTWIQSA-N 293.838 4.556 30 10 CJEE CC(C)C(C)(C)C[C@]1(C#N)CCCc2ccccc21 713369257 ZMEFPTATOINIDM-SFHVURJKSA-N 255.405 4.857 30 10 CJEE CCCCCCCCCCN[C@H](C)c1ccns1 716012655 CVRZCCGLWGSVSO-CQSZACIVSA-N 268.470 4.934 30 10 CJEE C=CCSc1ccccc1NC[C@]1(C)CC1(C)C 717075352 KNBOGMSSCWDBRM-INIZCTEOSA-N 261.434 4.813 30 10 CJEE CC(C)C(C)(C)CSCCOc1ccc(CC#N)cc1 718828325 WPHKOWZZQHPQCV-UHFFFAOYSA-N 291.460 4.547 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCCCC1(C)C 719225971 LUJJWXUGWMIGSQ-MRXNPFEDSA-N 274.383 4.777 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C)[C@H]1C 719597289 GUEFCYQBCANUJB-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCc1nc(C)c(C(=O)OC)s1 721001186 SKOYEMHMPYVHHD-UHFFFAOYSA-N 283.437 4.531 30 10 CJEE C=C1CCC(CN[C@H](CCC)c2ccccc2)CC1 724443749 VVSOLFUPAIBRNJ-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=C1CCC(C[C@@H](O)CSC2CCCCC2)CC1 724542368 LFIZEHDCMSNRGE-OAHLLOKOSA-N 268.466 4.550 30 10 CJEE C=C1CCC(C[C@H](Cc2ccccc2Cl)NC)CC1 724543340 DDISCNIAULAKHF-MRXNPFEDSA-N 277.839 4.607 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H](OCC)C(C)(C)C)CC1 724570529 CTILOBJJVDHYEG-IRXDYDNUSA-N 281.484 4.552 30 10 CJEE C=C1CCC(C[C@H](NC)C2CCC(CC)CC2)CC1 724592659 QRXUDWVDUJHAPY-VJFUWPCTSA-N 263.469 4.927 30 10 CJEE CCCCCCC/N=C1/N[C@@H](C2CCCCC2)CCS1 725127059 BCXKSWXSDIANIS-MRXNPFEDSA-N 296.524 4.988 30 10 CJEE CSc1cc(CC#N)c2sccc2c1C(F)(F)F 725316416 VFDFYAMDPGEBCV-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE Fc1c(Cl)cccc1C#Cc1ccc(C(F)(F)F)cc1 725431010 ZGKPMAFJPOSSPZ-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCCC[C@H](C)OC(=O)c1nc(C)oc1-c1ccccc1 760254604 BTOFRBBSWQQMRL-ZDUSSCGKSA-N 299.370 4.552 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 867726499 JAHXZBHYXPVKMD-BVPBIZIASA-N 297.442 4.769 30 10 CJEE C=C(C)CCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 1127320740 NVOPEYJQTVBDHS-MRXNPFEDSA-N 282.330 4.561 30 10 CJEE C=CCCCCCCNC(=O)C(C)(C)Cc1ccccc1 1128748040 FOLFXLIPRXDAGE-UHFFFAOYSA-N 287.447 4.508 30 10 CJEE C=CCC1(NC(=O)[C@H](C)Cc2ccc(C)cc2)CCCCC1 1129028744 MVKGTTZKSJNQCN-QGZVFWFLSA-N 299.458 4.569 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ncsc2C(C)C)c1 1134626794 OFZQABNQGOAODW-UHFFFAOYSA-N 286.400 4.552 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCC=CCCC1)c1ccccc1 1134766927 RBDGLKPVTJUTQE-MJGOQNOKSA-N 297.442 4.599 30 10 CJEE C=CCC(C)(C)C(=O)N1CC=C(c2cccc(C)c2C)CC1 1134972968 YKYMZSNBLOVDOK-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1CC 1204045258 OHRRSMPKVPCKEP-HOCLYGCPSA-N 286.419 4.505 30 10 CJEE C=CCN(CCc1ccc(C)c(C)c1)CC1CCCCC1 1204924479 WANSKOVOOMXGHP-UHFFFAOYSA-N 285.475 4.914 30 10 CJEE C=CCC[C@H](NC[C@@H](CC)CC(F)F)c1ccccc1 1307626763 NCADQCKSKACRMS-HOCLYGCPSA-N 281.390 4.965 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCCc2ccc(F)cc21 1308732631 SQTDXQBPUAUNNL-AEFFLSMTSA-N 275.411 4.928 30 10 CJEE C=CC1(CC(=O)N(C)c2cccc(C)c2C)CCCCC1 1351135728 KEJLMDHTJHTWLV-UHFFFAOYSA-N 285.431 4.793 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1352104015 INUNNXINMDIAOD-KCITZHQASA-N 299.458 4.677 30 10 CJEE C=C(C)CCC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 1356413483 OUVKDYGYUSTBKF-INIZCTEOSA-N 273.420 4.636 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 1435416882 PNNMVAXUABAUSE-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C=CCC(C)(C)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 1436084125 RXVOJIIYUNDFEH-HNNXBMFYSA-N 285.431 4.765 30 10 CJEE C=C[C@@H](C(=O)Nc1cccc(C(=C)C)c1)c1ccccc1 1456873171 PBOFMWRQMGNCFK-GOSISDBHSA-N 277.367 4.628 30 10 CJEE C=CCC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 1458134242 LBIBTVUKPJAOMV-KRWDZBQOSA-N 299.801 4.777 30 10 CJEE C=CCOc1ccc(CN[C@@H](C)C[C@@H](C)CC)cc1Cl 1461249212 PPJWQKKAOQFJGG-KBPBESRZSA-N 295.854 4.819 30 10 CJEE C=C(C)CCN(CCC)Cc1ccccc1Br 1473129827 ICKORUDWILJJNI-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE C=C[C@H]1CCCCN1CCc1c(Cl)cccc1Cl 1473434432 ZEQCBCZCQZZFCI-LBPRGKRZSA-N 284.230 4.576 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 1525070622 WUCOGRXBZVLYHC-YQVWRLOYSA-N 299.458 4.664 30 10 CJEE CCCCCCCCNC(=O)c1ccccc1-n1cccc1 1526026224 FKNQVEBEXQMXRV-UHFFFAOYSA-N 298.430 4.568 30 10 CJEE C=CCC1(NC(=O)c2sccc2C2CC2)CCCCC1 1532896719 IRVUKGOQNBSOBC-UHFFFAOYSA-N 289.444 4.634 30 10 CJEE C=CCN(C(=O)c1ccc(SC(C)C)cc1)C(C)(C)C 1532929710 PAGWAMXRYCIOKB-UHFFFAOYSA-N 291.460 4.614 30 10 CJEE C=CCCCCCN(C)C(=O)c1c(CC)oc2ccccc12 1538733378 NRIMEXSGGISTPF-UHFFFAOYSA-N 299.414 4.814 30 10 CJEE C=CCC[C@H](NCc1ccc(C)c(F)c1)c1ccccc1 1559695515 AOADMDPUSFNNNO-IBGZPJMESA-N 283.390 4.931 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1C[C@@]1(C)C(C)C)c1ccccc1 1583321419 ALEUNMXRKZVMEH-NSHGMRRFSA-N 299.458 4.677 30 10 CJEE C=CCN(Cc1ccccc1F)Cc1ccccc1C1CC1 1615233836 MPCFADQVDUDNJY-UHFFFAOYSA-N 295.401 4.891 30 10 CJEE C=CCCC1(CNc2nc(Cl)cs2)CCCC1 1642929383 WBHXPDBFLXPHIW-UHFFFAOYSA-N 270.829 4.735 30 10 CJEE C=CC[C@H](C)Sc1ccccc1Br 1643567375 HQRGYPXOCCFSCP-VIFPVBQESA-N 257.196 4.506 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@H](CC)c2ccc(C)cc2)C1 1645067271 VHYIKZVDKYUSKI-ROUUACIJSA-N 299.458 4.693 30 10 CJEE C=CCC[C@@H](CCC)Nc1cnn([C@@H](C)CC)c1C 1657972279 KHQFYZAPZLTXKJ-DZGCQCFKSA-N 263.429 4.709 30 10 CJEE C=C1CCC(CN[C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 1660674472 OSTSJOSYCLWYSU-KRWDZBQOSA-N 297.486 4.832 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCCC[C@H]2CCC)CCCC1 1668383531 CVCPQILRACKTPY-HZPDHXFCSA-N 292.467 4.533 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(=C)C)c1 1675381902 PNYNSUYJSSOJBF-CQSZACIVSA-N 272.392 4.586 30 10 CJEE CCCCCCCCC(=O)Nc1ccnn1[C@H](C)CC 1873452001 WVKJUYABVMHKMB-CQSZACIVSA-N 279.428 4.543 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@@]2(C)CCCC(C)(C)C2)N1 1877815494 SIVDIUJUFIBRJH-HOTGVXAUSA-N 282.497 4.597 30 10 CJEE CC1(C)CCC[C@H]([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 1885275459 VERSPZNKXVUHGP-MJBXVCDLSA-N 278.245 4.685 30 10 CJEE CC#CCCCCC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 1885367489 IYIHVHDYQLWGBW-CHWSQXEVSA-N 274.326 4.508 30 10 CJEE C=C1CCC(C[C@]2(O)CC(C)(C)CC3(CC3)C2)CC1 1886400683 CBEFIYPUEYHFKK-SFHVURJKSA-N 262.437 4.844 30 10 CJEE C#CC[C@@H](CC(=O)c1ccc(C(C)(C)C)s1)C1CC1 1887406341 DGFFPNQDQPZWQI-ZDUSSCGKSA-N 274.429 4.668 30 10 CJEE C#CC[C@@H](CC(=O)c1cc2ccccc2s1)C1CC1 1887406455 FDGIWYQVRINCPP-ZDUSSCGKSA-N 268.381 4.524 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H](C)CCCC)C1CC1 1887502984 XLFYRCRNSRGXAC-NXHRZFHOSA-N 263.469 4.621 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCC(C)(C)C1 1890708356 IJUXCDRVBUSFEO-KRWDZBQOSA-N 257.421 4.501 30 10 CJEE CCCCCC[C@@H](C)N=C1N[C@H](C2CCCCC2)CS1 1912079954 OFEAAZLQYYIPOA-ZBFHGGJFSA-N 296.524 4.987 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@H](CC)CCN1 1912346586 OUSKFWIQXUZKTD-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE C=CC[C@H](C)O[C@@H]1CCCCCCCC[C@H]1NCCC 1913323294 CLGKDEHGKWVLIC-RCCFBDPRSA-N 281.484 4.839 30 10 CJEE 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275.480 4.879 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CC12CCCCC2 2196172766 WITJFSJVRQKFOB-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE C[C@H]1OCC[C@H]1CCC1(C#N)CC(C)(C)CC(C)(C)C1 2196483834 WNQUJSJQUALTGC-HUUCEWRRSA-N 277.452 4.938 30 10 CJEE C#CC[C@@H](C[C@H](O)C1CC(C)(C)CC(C)(C)C1)C1CC1 2196733947 YYLAAMOAZZPVNK-RDJZCZTQSA-N 276.464 4.639 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccccc1C1CC1 2196846538 AYEWZXYTAXHBGH-BEFAXECRSA-N 269.432 4.654 30 10 CJEE C#CC[C@H](C)CC1(CNCC(C)C)CCC2(CC2)CC1 2196848302 KQUUUXPVGVWKNX-KRWDZBQOSA-N 275.480 4.622 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@H](CCC)CC[C@H]1CNCCC 2196854076 LOZFVOSYQAQYLV-ZSYWTGECSA-N 277.496 4.868 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)c1ccc(F)cc1 2197140846 AMYJJVHOPLCSBN-GOSISDBHSA-N 269.363 4.580 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccc(CC(C)C)cc1 2197152620 VCHLYFGTGVZRAO-LJQANCHMSA-N 266.384 4.632 30 10 CJEE CCC1(CC)CSC(=N[C@H]2C[C@@H]2C2CCCCCC2)N1 2200186525 JLGFIZUJHBAWGX-CABCVRRESA-N 294.508 4.597 30 10 CJEE 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C=CCCCCCCCCC[C@H](N)C[C@H]1C[C@@H](OC)C1 2207397532 UFHGWSGZIZDURT-OKZBNKHCSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCCNC[C@@H](C)[C@H]1CCCO1 2207402819 FFGRITJCSGNYHZ-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@@]1(O)CCC(C)(C)NC1 2207424424 FDUWPZORARKRIR-GOSISDBHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@]1(CN)CCCOC1(C)C 2207425897 VVHNIQLQIJCJFY-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](NCCC)C1(OC)CC1 2207438077 ORYMVGKIXLPWST-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@H]1CC1(C)C)NCC 2207443821 DNQUWTCOGCWTNT-BBWFWOEESA-N 283.500 4.512 30 10 CJEE CCCCCCCCc1nc(C(C)(C)C)n(CC)c1N 2207447610 XSJZJGBOZDYHNC-UHFFFAOYSA-N 279.472 4.686 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@H]1CC[C@H](N)CC1 2207450430 UXXJRDRGBIONKG-KZNAEPCWSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@H]1OCCC[C@@H]1CNCC(C)C 2207469228 MONDGZZLDXHBJP-QZTJIDSGSA-N 283.500 4.778 30 10 CJEE SC[C@H](CSCCCCCC1CC1)C1CC1 2211104692 FPVDPARLHDLKCV-CQSZACIVSA-N 258.496 4.646 30 10 CJEE 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274.383 4.714 30 10 CJEE N#CCCCCC[S@@](=N)(=O)CCCCCCCC1CC1 2239348575 HNJPMJKOKYTZPH-FQEVSTJZSA-N 298.496 4.868 30 10 CJEE CCCCCCCCCCOC[C@H](NC)c1cncs1 2239493563 UJXJGJFPBZQRCP-HNNXBMFYSA-N 298.496 4.561 30 10 CJEE C=C[C@@H](CCCCC)OCC(=O)c1ccc(SC)cc1 2239498319 IJKPZDJXOMNDAG-HNNXBMFYSA-N 292.444 4.743 30 10 CJEE CC(C)[C@@H]1CCC[C@](N)(C#Cc2ccc(Cl)cc2)CC1 2239565671 ZKVQJJFXIZCLFP-AEFFLSMTSA-N 289.850 4.625 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@]12CCOC2 2240107703 RYMYOUJZYVEMAV-KURKYZTESA-N 281.484 4.532 30 10 CJEE CCCCCCC[C@]1(CNC2CCC2)C[C@@H](C)O[C@@H]1C 2240206799 FOTZSXLKSLLLOP-JFIYKMOQSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@@]1(C)CC[C@@](C)(CNC2CC2)O1 2240622567 VGQOYEYAJNKZDY-ROUUACIJSA-N 281.484 4.817 30 10 CJEE Cc1cc(Oc2cc(C)c(C#N)c(C)c2C)ncc1Cl 2240832435 COMQEBOHULUYMN-UHFFFAOYSA-N 286.762 4.633 30 10 CJEE C=C1C[C@@H]1C[C@H](N)c1cc(Br)cc(C(C)C)c1 2247236724 HEXZIAVFOAYFHF-DOMZBBRYSA-N 294.236 4.539 30 10 CJEE C=CCCCCCCCSC[C@H]1CC[C@H](N)CC1 2259060310 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CCCc1ccc(C[C@]2(C=O)CCCCC2(C)C)cc1 2283542606 DPLASEBOUQMNLH-IBGZPJMESA-N 272.432 4.967 30 10 CJEE CCCCCCC[C@@](C)(O)c1c(C)cc(OC)cc1C 2285102452 GHUGSWBYKXCSSJ-GOSISDBHSA-N 278.436 4.880 30 10 CJEE CC(C)(C)C1CCC(C#N)(C2(O)CCC=CCC2)CC1 2285701688 PBHVURIKBQGKIK-UHFFFAOYSA-N 275.436 4.594 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1Cc2ccccc2C1 2287414726 RAZKATNXUGFABI-LJQANCHMSA-N 271.448 4.516 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc2c(c1)COC2 2287465133 HLPRJDZCYBLKSL-SFHVURJKSA-N 273.420 4.504 30 10 CJEE CC(C)(C)c1ccccc1[C@@H](N)C#CC1CCCCC1 2289691752 FEABUZQZRBJWTD-SFHVURJKSA-N 269.432 4.568 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(C2CCC2)CC1 2289713362 OWEHPTGNMVOPJH-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CC[C@]1(C)CCSC(=NCC2CC(CC(C)(C)C)C2)N1 2290033476 QDSRZSIXAAVXFW-MQBCKMQZSA-N 296.524 4.700 30 10 CJEE CCCCCCCO[C@@H]1[C@@H](NC)C(C)(C)CCC1(C)C 2290222695 NTPFHGITFQNJAY-HZPDHXFCSA-N 283.500 4.776 30 10 CJEE C=CCCCCCCC[C@](CC)(CC1CC1)OCCN 2292654072 YWGCBIAIIADKSQ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCN)c1c(F)cccc1Cl 2292797593 LNRDLJXOAVIXFJ-HNNXBMFYSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@@H]1C1CC1)OCCN 2292909891 SIGITUJQPLDSIT-KZNAEPCWSA-N 281.484 4.517 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)C(C(C)C)C(C)C 2293879013 NCVJBCRPXRVXDK-QGZVFWFLSA-N 283.500 4.785 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCC2(CCC2)C1 2293991099 GQMBTIHAROGNMZ-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1C=CCC1)OCCN 2294123984 UUJPMPKYBNEHIE-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](NCc2ccsc2C#N)CC1 2294727193 NCSXXNKTDPUBFM-CABCVRRESA-N 290.476 4.704 30 10 CJEE CCCCCCCCC[C@@](C)(CO)NCc1cccs1 2295531701 NZPOHLVFABLMLA-KRWDZBQOSA-N 297.508 4.729 30 10 CJEE CCCCCCCCC[C@](C)(OCC(F)(F)F)C(=O)O 2295599704 VFVYKDSWKDHDSI-ZDUSSCGKSA-N 298.345 4.549 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@]2(C)CCO[C@@H]12 2295678731 JCRHHBICVVSFLK-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE C=C1CC(C(=O)c2ccc3oc4ccccc4c3c2)C1 2295763680 LCQPMOKWGPUWBL-UHFFFAOYSA-N 262.308 4.735 30 10 CJEE CCCC[C@H](CC)CSC[C@@](C#N)(NC(C)C)C1CC1 2295767301 WJPGDJNLZTUBHE-DOTOQJQBSA-N 296.524 4.606 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1[C@@H](C)NC 2298942503 LTZNEGRVFLRQTD-WDEREUQCSA-N 269.841 4.677 30 10 CJEE Cc1c(COCC(C)(C)CS)ccc(Cl)c1Cl 2301383561 CJOFISKOFZDWAI-UHFFFAOYSA-N 293.259 4.774 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1c(Cl)cc(C)cc1Cl 2307611882 QIVALDFPQDYFDS-HZMBPMFUSA-N 272.219 4.904 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NC 2309961727 WAYNIMBBCGIAOY-QBPKDAKJSA-N 251.458 4.761 30 10 CJEE CC(C)CCC[C@H](C)Nc1ccc(Cl)c(C#N)c1 2313565944 KBNSPDDFKNKXEO-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE C=CCCCCCCCN1C[C@H](SC)CC1(C)C 2313773050 ZLFHEGDORBFETD-OAHLLOKOSA-N 269.498 4.729 30 10 CJEE CSc1ccc(COCCCCCCCS)cc1 2318096916 MWBNFNOSJRISEJ-UHFFFAOYSA-N 284.490 4.805 30 10 CJEE C=CCCCCCCCSC[C@@H](N)CC1CCC1 2318431327 WBCIUTGTMNDSPU-INIZCTEOSA-N 269.498 4.764 30 10 CJEE C=C([C@@H](CCCCC1CC1)NCCC)C(C)(C)C 2318871457 DSZNXMRTNGAXGY-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE 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4.556 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCCOC(C)(C)C)CC1 2345357000 JHJDDHUJHWHTIO-QGZVFWFLSA-N 268.441 4.757 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCCCC[C@H]1C(C)C 2352198790 UNGYNNNDTFGZIA-HOCLYGCPSA-N 284.465 4.746 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC(F)(F)C1 2356179270 HAKNABQSKJVBOR-QNWHQSFQSA-N 289.316 4.777 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1COC)NCC 2357014537 QLMXPQFPRRMZKV-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CC[C@@H]3C[C@H]2CO3)CC1 2359088800 YDKCMROAKUIBKU-ONWVLEABSA-N 275.436 4.692 30 10 CJEE CCCCCCCC[C@@H](NN)C(CC1CC1)CC1CC1 2360357910 ZWJBUTKJCIWENK-GOSISDBHSA-N 280.500 4.785 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](n2c(C)nc3ccccc32)C1 37147298 ZKVGNYQPFXIGRZ-IIDMSEBBSA-N 281.403 4.626 30 10 CJEE CCC(CC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 37346217 HUNOJLJZPVTAPD-LBPRGKRZSA-N 284.186 4.606 30 10 CJEE CC(C)[C@@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1 54827157 MJQKWECNYAYXOH-IIAWOOMASA-N 276.449 4.507 30 10 CJEE CCC(C#N)(CC)CCCCOc1cccc(C)c1 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4.584 30 10 CJEE CC#CC[C@@H](CCCCCCCCCCC)NC 130802232 FHGCEBFRAILDCK-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)COC 132280485 XOGMKWHTJVJZSP-DLBZAZTESA-N 272.473 4.941 30 10 CJEE C[C@](O)(c1cccc(Cl)c1)C1(C#N)CCCCCCC1 156790185 OXKIRJSNXRPNFW-INIZCTEOSA-N 291.822 4.802 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(OC)c(F)c1)NCC 157387664 DGTMXUNLDNDSPA-INIZCTEOSA-N 295.442 4.715 30 10 CJEE CCCCCCCNc1ccc(F)c(Br)c1 159766945 IBOOZBSXUNTHKN-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE CCCCCCCC[C@H](NCCC)C1=CCCCO1 160276091 JAYPTRFZPMBHFB-INIZCTEOSA-N 267.457 4.800 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@@H](OCC)C1CCCCC1 167728416 ITAPJGKYDYXXRP-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CC[C@@H]1Sc2ccccc2N=C1SCCCC#N 212902994 PYBXQWYIQSICPT-LBPRGKRZSA-N 276.430 4.638 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(F)c1 215062928 BYJCTBNVQBACRQ-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCC[C@H](CN)N1CCC[C@@H](C(C)(C)C)CC1 227429705 SOCUBDVNMYRUGY-QZTJIDSGSA-N 296.543 4.822 30 10 CJEE CCCCCCCCCCNc1cc(C(=O)O)cc(C)n1 228443341 AVRVUEBYGLPSQX-UHFFFAOYSA-N 292.423 4.641 30 10 CJEE CCCCCCC[C@@H](N)Cc1nc(C(C)(C)C)cs1 228751863 UDXKOJXMQUIDQC-CYBMUJFWSA-N 282.497 4.671 30 10 CJEE C=CCC[C@@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229382177 UFUAELLPLWYABV-UPMGZUDPSA-N 275.480 4.927 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)C1 230794672 DPUBCYDZGLSNBQ-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(F)c(OC)c1 233544955 LCIHUXMJUWZWOU-INIZCTEOSA-N 279.399 4.621 30 10 CJEE C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2C#N)CC1 235650146 FCOFOEOYGTULRU-NWDGAFQWSA-N 262.784 4.592 30 10 CJEE CCCCCCCCN1C[C@](C)(C2CC2)NC[C@]1(C)CC 250827985 ORTPFVQVSIGDHP-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1ccc(Cl)cc1C#N 251192193 SSXXXNPNRCRALQ-YLQAJVPDSA-N 288.822 4.838 30 10 CJEE C[C@H]1CCC[C@@H](C)[C@@H]1Nc1ccc(C#N)cc1C(F)(F)F 252392693 WIFDNXVEAFKOFY-HBYGRHMLSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCN1CCC(=NO)c2ccccc21 252464829 MITIZDGXSFQLSO-UHFFFAOYSA-N 288.435 4.826 30 10 CJEE CC(C)[C@H](C#N)c1cccc(C(F)(F)C(C)C)c1 259405105 HZEJFELLYLCQAO-AWEZNQCLSA-N 251.320 4.698 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CCCC(F)(F)C1)NN 302419902 LNERQXIYPRZHPG-GJZGRUSLSA-N 290.442 4.785 30 10 CJEE CC1CCC(C#N)(Cc2cnc(Cl)cc2Cl)CC1 302566457 ZVKLZWRNKOABBQ-UHFFFAOYSA-N 283.202 4.651 30 10 CJEE N#Cc1cc(Br)cc(-c2cccc(Cl)c2)c1 309180552 CNKLQDYBAXYJRL-UHFFFAOYSA-N 292.563 4.641 30 10 CJEE C=CC[C@@H]1CC[C@@H]2[C@H](C)CCC[C@H]2N1C(=O)OC(C)(C)C 309595273 WSKQKIUMMYRGCD-KLHDSHLOSA-N 293.451 4.767 30 10 CJEE CCCCCCCCC[C@@H](NN)c1sccc1F 310770257 OZFQRKCKPUFXNT-CYBMUJFWSA-N 272.433 4.532 30 10 CJEE CCCCCCC[C@H](C)NCCOCC1CCCC1 313246814 ANYXWPZFUTUQBO-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCC1CCC(C=O)([C@@H]2C[C@@H](OCC)C2(C)C)CC1 317276292 SJRINCGNCLDREG-GARNVTTQSA-N 280.452 4.613 30 10 CJEE C[C@@H]1CCC[C@H](C[C@@]2(C=O)CCCc3ccccc32)C1 317301301 XKBJRJAADXLAJI-JTDSTZFVSA-N 270.416 4.676 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@]2(O)CCCC23CCCC3)C1 328120154 QSRNZOUVJQILTP-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@H](C)c2ccc(Br)cc2)C1 379717286 PVNRSLSREGBENW-JMSVASOKSA-N 292.220 4.883 30 10 CJEE C[C@]1(CC#N)CC[C@]2(CCCC[C@@H]2c2ccccc2)O1 380484472 AZFDFYCOQLSBTI-KURKYZTESA-N 269.388 4.566 30 10 CJEE C=CCC(C)(C)COCc1ccsc1CNCC(C)C 381152924 TVRZNFCQNMENPA-UHFFFAOYSA-N 295.492 4.613 30 10 CJEE C=C(COCC)[C@@H](NCCC)c1cc2ccccc2s1 387529864 JSNPYYZXIZSWHX-QGZVFWFLSA-N 289.444 4.535 30 10 CJEE CCCCCCCCC(=O)[C@H](C)c1ccc(N)cc1 396541627 ZWODUFMORLZJGL-CQSZACIVSA-N 261.409 4.692 30 10 CJEE C[C@@H]1CCC[C@H](CCNC[C@@H](C#N)C2CCCCC2)C1 397293815 JFQOYIXWMVOXJM-JFIYKMOQSA-N 276.468 4.512 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@]1(C)C[C@H]1F 399263853 DIZSJASYWRBYKM-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](C)[C@H]1CCN 404256685 AYWNYOKGUUDURJ-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C[C@@](C#N)(C[C@@H]1CCCC(F)(F)C1)c1ccccc1 405571719 CTZULAZCGRIONH-ZFWWWQNUSA-N 263.331 4.683 30 10 CJEE 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C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@@H](C)C1CC1 695781255 NULUPKKOUFVUQY-HOTGVXAUSA-N 284.447 4.615 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@H]1C1CC1 699030769 PERWKLCOIUCAGL-ULQDDVLXSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCC[C@](C)(O)c1nccs1 701927032 BWKFIFDBEOJRTB-HNNXBMFYSA-N 269.454 4.881 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc2c(c1)CCC2 703996837 WUXFMRCGIHGLKU-HNNXBMFYSA-N 271.448 4.818 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCC(C)(C)CC1 704038340 NJVIBDJYCDXRBO-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C[C@@](C#N)(CC1(c2ccccc2)CC1)c1ccccc1 704064709 NOYOUNZWUVXUJN-SFHVURJKSA-N 261.368 4.590 30 10 CJEE Cc1nc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c(Cl)cc1C#N 708333546 ZCOSURZMJCRNKC-MFKMUULPSA-N 291.826 4.542 30 10 CJEE CC(C)OCCCC1(C#N)CCC(C(C)C)CC1 708559138 HXQREHDNAOWINI-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE C[C@](C#N)(Nc1ccc(Cl)cc1)[C@@]12CCCC[C@H]1C2 709097996 QPOHVYPFDMLRGU-APHBMKBZSA-N 274.795 4.614 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1coc2ccccc12 710589543 BKMMHPYLTHHUQP-AWEZNQCLSA-N 263.768 4.616 30 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XZPPSLJAKYQNHT-SFHVURJKSA-N 287.447 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)c2oc(C(F)F)cc2C)c1 1134629460 MKBVXKRHJDTWTB-UHFFFAOYSA-N 291.297 4.811 30 10 CJEE C#CCCOc1ccc(CNc2ccccc2CCC)cc1 1177420416 BWTKLESSVFWDBL-UHFFFAOYSA-N 293.410 4.653 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC(C)(C)C2)cc1Cl 1178209521 WLFKDZQDFGYKNN-AWEZNQCLSA-N 293.838 4.573 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(OC3CCCC3)cc2)C1 1178700068 ITXPQXCWVBFJID-AEFFLSMTSA-N 299.458 4.842 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H]1CCCC[C@H]1C 1180505138 HLHVZGHHQHDZTL-CABCVRRESA-N 263.450 4.562 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(CCC)s1 1203113487 MTEMUASSYASHLQ-PBHICJAKSA-N 277.477 4.925 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(CCCC)cc1 1214147628 HWQMJTJRMINCPS-HNNXBMFYSA-N 288.435 4.896 30 10 CJEE C=CCC1(NC(=O)NCCCCCCCC)CCCC1 1224252484 CNJDTYHXUFPDPT-UHFFFAOYSA-N 280.456 4.535 30 10 CJEE C=C1CCC(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC1 1264762187 ZWXXANDLRFUHJY-GOSISDBHSA-N 299.458 4.945 30 10 CJEE C=CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 1307607618 LCQOGUIWHFHUJY-UHFFFAOYSA-N 289.728 4.509 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CC)c2ccccc2F)C1 1308847436 CBIVACNMMURUKI-KEYYUXOJSA-N 261.384 4.611 30 10 CJEE C=CCC1(C(=O)Nc2ccc(OCC)cc2)CCCCC1 1349855647 OCWDIOPGWDMQIM-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(OCCCCC)cc1 1350140150 ROLAQAOMXCZWPX-UHFFFAOYSA-N 290.403 4.763 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(CCCC)cc1 1435756430 YVTQLPIRJLXUMW-UHFFFAOYSA-N 260.377 4.537 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H](O)c1cccc2ccccc12 1462430177 VSAHISHPMWJCGC-FXAWDEMLSA-N 297.442 4.598 30 10 CJEE C=CCC1(C(=O)N2CCCC(CC)(CC)C2)CCCC1 1470115804 FHFNYHHZZWTXCM-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CC(C)(C)CC(=O)N(CCCC)[C@H](C)c1ccc(C)o1 1524947381 XPLFRWIUOJFYMK-OAHLLOKOSA-N 291.435 4.880 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(-c2ccccc2)c1 1525564325 JIUCIEDEOVUNJE-LJQANCHMSA-N 279.383 4.894 30 10 CJEE C=CCC1(CNC(=O)c2cc3cc(C)ccc3o2)CCCC1 1525699602 ZLNPOKTVOHHZNY-UHFFFAOYSA-N 297.398 4.608 30 10 CJEE C=CCC[C@H](NC(=O)CC1=CCCCC1)c1ccccc1 1526451726 HXCWLUNVLZKFGE-SFHVURJKSA-N 283.415 4.701 30 10 CJEE C=C[C@H](OC(=O)/C=C\C1CCCCC1)c1ccccc1 1528632129 OLRJGWVVBJFYEP-NJWFCXLTSA-N 270.372 4.593 30 10 CJEE CC#CCCCC(=O)OCc1ccc(C(C)(C)CC)cc1 1536935836 YJQIDISPPPMXPA-UHFFFAOYSA-N 286.415 4.611 30 10 CJEE C=C1CCC(C(=O)N[C@@H](C)CCC2CCCCC2)CC1 1538011217 JYKFRARRHAWGEC-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)CC(C1CCC1)C1CCC1 1538891523 LQILIRSKEYJNFW-KRWDZBQOSA-N 289.463 4.550 30 10 CJEE C=CCC[C@H](NCc1cc(F)ccc1F)c1ccccc1 1559694956 MINSQKOOPLFCSN-SFHVURJKSA-N 287.353 4.762 30 10 CJEE C=CCCC1(CNCc2cccc3c2NCCC3)CCCC1 1560929091 MPHGQUFRCFCOJQ-UHFFFAOYSA-N 298.474 4.661 30 10 CJEE C=CCC[C@@H](NC(=O)NCCCCCC)c1ccccc1 1563434730 LLTUUDLJHNHKAU-QGZVFWFLSA-N 288.435 4.573 30 10 CJEE C=C[C@H](C(=O)N1CCCCC[C@@H]1CC(C)C)c1ccccc1 1618023512 IAIKUUZFSOBTJG-MOPGFXCFSA-N 299.458 4.774 30 10 CJEE C=CCCc1ccccc1NCc1ccc(C)cc1OC 1620912081 HLYYUDYEBHJQEV-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCO[C@H](C(CC)CC)C1 1621204461 IPMPCFQHXHVDKS-JQHSSLGASA-N 281.484 4.695 30 10 CJEE C=CCn1c(S[C@@H]2CCC[C@@H](C)C2)nc2ccccc21 1651576062 MYTYFGSSEIIHOB-ZIAGYGMSSA-N 286.444 4.893 30 10 CJEE C=C(C)CCN(Cc1cccc(Cl)c1)C(C)C 1652293684 KDBDKQRRUAPIEN-UHFFFAOYSA-N 251.801 4.517 30 10 CJEE C=CCC[C@H](C)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 1652656380 CMQQLLSLFVXVKV-UKBAYJJMSA-N 271.448 4.903 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)c1ccc(C)cc1 1652806347 MDJROMIBKAGXPT-QRQLOZEOSA-N 271.448 4.823 30 10 CJEE C=C(C)[C@@H](NCC[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 1653343558 WXNBZKRJDTVODX-QIIPPGSGSA-N 291.385 4.608 30 10 CJEE C=CCC1(CNC2CC(c3ccccc3)C2)CCCC1 1658099554 ZXGKUBJYJIXYDZ-UHFFFAOYSA-N 269.432 4.659 30 10 CJEE C=C(C)[C@@H](NCCCCC(C)C)c1ccc(F)c(F)c1 1658895106 GNHHJNYGOTZSMS-QGZVFWFLSA-N 281.390 4.998 30 10 CJEE C#CCCCCCCNCc1ccccc1CC(C)C 1660334078 BMXKUFBREAXEMU-UHFFFAOYSA-N 271.448 4.558 30 10 CJEE C=CCCCCCCCNC(=O)N1CCCCCCCC1 1686702499 CKLVSBHISJQECH-UHFFFAOYSA-N 294.483 4.879 30 10 CJEE C=CCn1c(-c2ccc(Cl)s2)nc2ccccc21 1873513721 LXUZNXMAEDHWGR-UHFFFAOYSA-N 274.776 4.604 30 10 CJEE Cc1cc(C#N)ccc1NCC1(C)CCC2(CC1)CC2 1875708663 KMMIECWYZKQXOZ-UHFFFAOYSA-N 268.404 4.639 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2CC3CC2C3)CC1 1876903118 LMYCZRLFFLNKFV-ZGUYJTEBSA-N 261.453 4.537 30 10 CJEE C=CCCN(Cc1ccccc1)CC(C)(C)C(C)C 1880995421 MHWRLEAYPOUENS-UHFFFAOYSA-N 259.437 4.747 30 10 CJEE C=C(C)CN(C)Cc1c(C)cc(C(C)(C)C)cc1C 1882951030 CSAHTGQERDPYPH-UHFFFAOYSA-N 259.437 4.609 30 10 CJEE CCCCCCCCN(C)[C@H]1CS[C@@H](C(F)(F)F)C1 1883337427 ZQCXSWIIHIPPJV-CHWSQXEVSA-N 297.430 4.715 30 10 CJEE CCCCCCCCCN(CC)Cc1ccccn1 1883429453 NLIFWKFRRMTQJB-UHFFFAOYSA-N 262.441 4.654 30 10 CJEE CC#CCCCC[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 1885238254 TVNAQLAXKUOIPM-AEFFLSMTSA-N 264.453 4.928 30 10 CJEE CC#CCCCCC(=O)c1cccc(C(C)(C)C)c1 1885368046 NYEMNJLTFODQFS-UHFFFAOYSA-N 256.389 4.751 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)c1cc2sc(C)cc2s1 1887451409 DUKRZCFBJQPCAP-AAEUAGOBSA-N 291.485 4.971 30 10 CJEE CCN(CC1(CS)CCCCC1)C1CCCCCC1 1888615092 FWBJEZLVQCZACS-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE CCCCCCCCC[C@H](N)c1ncc(F)cc1F 1894419343 JVFOGVIGRULDSC-AWEZNQCLSA-N 270.367 4.500 30 10 CJEE CCN(c1ccc(C#N)c(Cl)c1)[C@H]1CCCC1(C)C 1910878338 LJUKEFFISLIIMZ-HNNXBMFYSA-N 276.811 4.617 30 10 CJEE C=CCC(C)(C)NCc1ccc(OCCC(C)C)cc1 1912215326 JTVRLGCSLONYLU-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE CCCCCCCCCCCCOCC1(CNC)CC1 1915499285 GWJRZNXZLYGCJP-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnccc1CC 1915986741 ITPJKNKCDUFWDT-QGZVFWFLSA-N 263.425 4.818 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)[C@@H](C)C(C)C 1917996193 JCTYVTKNBIRYTH-WMLDXEAASA-N 261.475 4.828 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CC(C)(C)CC(F)F 1919420530 WIARABGTRAHEBK-MRXNPFEDSA-N 292.410 4.739 30 10 CJEE C=C([C@H](NCCC)C1CC[C@@H]2C[C@H]2CC1)[Si](C)(C)C 1922996180 LEJZBLSUURVGRP-ZACQAIPSSA-N 279.544 4.615 30 10 CJEE CCCCCCC[C@]1(F)[C@@H](CN)CCCC12CCC2 1924821163 GUHMPGHNCOWFCI-WBVHZDCISA-N 269.448 4.984 30 10 CJEE C=CCCC[C@H](NCC)c1cc(C)ccc1Cl 1925533320 DOSYOMIEKUBITH-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=C(C)CCC(=O)c1sc(CC)cc1Br 1959914042 CONQJMIZMKVLMA-UHFFFAOYSA-N 287.222 4.612 30 10 CJEE CC(C)(CCOc1cccc(Cl)c1C#N)C(F)(F)F 1970657570 DWXNAEYTUWPJNN-UHFFFAOYSA-N 291.700 4.569 30 10 CJEE C=CC1(NCc2cc(Cl)sc2Cl)CCCC1 1984026291 PXRMSEABQYUFDP-UHFFFAOYSA-N 276.232 4.643 30 10 CJEE CCCC[C@](C)(C#N)Cc1cc(Cl)ccc1F 2000515970 UNOAALPKQANWIV-AWEZNQCLSA-N 253.748 4.742 30 10 CJEE CCCc1c(-c2ccsc2Cl)sc(C#N)c1N 2007551441 RWPDACQKVYISQQ-UHFFFAOYSA-N 282.821 4.536 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc(C(F)F)cs1 2011357566 QAJMOJJIUKTEEE-SNVBAGLBSA-N 263.328 4.600 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc(Cl)ccc1Cl 2011362809 DKMKBVJCTMJKPM-CYBMUJFWSA-N 276.182 4.907 30 10 CJEE C=C[C@@H](C)CN[C@@H](CCC)c1ccc(Cl)cc1 2014919724 GXAGLUMGYYTNAS-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Cl)sc2C)CC1 2019783265 LEYJJWGSRFNUNV-CYBMUJFWSA-N 270.825 4.880 30 10 CJEE C=CCC[C@H](C)c1nnc(C2CCCCC2)s1 2025023478 APVQWECYPAGYQL-NSHDSACASA-N 250.411 4.656 30 10 CJEE C=CCCCCCCC(=O)[C@]1(C)CCCSC1 2026015655 VGYUSKGTSGMESZ-OAHLLOKOSA-N 254.439 4.615 30 10 CJEE C=CCC[C@H](C)[C@@]1(N)CCCCCCCC1(F)F 2040525370 IUWJEDHDSUWHKU-KBPBESRZSA-N 259.384 4.666 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cc(F)ccc1Cl 2040530048 OMLMZKYHRXORDX-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)([C@@H]2CCCC(C)(C)C2)C1 2045370698 KKXAEOWEXFCHIH-BFYDXBDKSA-N 250.426 4.988 30 10 CJEE C=C1CCC(C[C@@H](CC(C)(C)SC)NCC)CC1 2045795910 CLRXRNYAYSIAKD-HNNXBMFYSA-N 269.498 4.633 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CCCC1(F)F 2047868109 FLSHQKSTTKTAKN-KBPBESRZSA-N 261.400 4.760 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCCC(F)(F)C1 2049795022 PXMAMGIJLQGUGL-ZDUSSCGKSA-N 256.336 4.662 30 10 CJEE C=C[C@H](C)C[C@@H](CC(C)(C)C(C)(F)F)NCCC 2053068500 ZHGVDSQFORDOGB-STQMWFEESA-N 261.400 4.638 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc(F)ccc1Cl 2053070172 YGRPNRWPLOEDOG-XHDPSFHLSA-N 269.791 4.732 30 10 CJEE 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4.657 30 10 CJEE CCOc1ccccc1/C=N/c1ccc(N(CC)CC)cc1 505507 ZIBWULOOHRCLCO-HMMYKYKNSA-N 296.414 4.682 30 10 CJEE C#CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6360341 ZCRSPYOCFRQJKU-UHFFFAOYSA-N 291.375 4.734 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H](C)c1ccc(Cl)s1 42590670 NWMGRSCEZVJQJT-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@](C)(C#N)NC1CC1 45323954 AYGCNLDDKTZQOV-SJLPKXTDSA-N 294.483 4.566 30 10 CJEE C[C@@H](c1ccccc1F)N(C)c1ccc(C#N)c(Cl)c1 62016709 YXCYUGCOCXQQSX-NSHDSACASA-N 288.753 4.548 30 10 CJEE N#Cc1c(Cl)n(CCc2ccccc2)c2ccc(F)cc12 71465452 VCWZVOOBFXSQID-UHFFFAOYSA-N 298.748 4.548 30 10 CJEE CCCCOc1ccccc1-c1cc(C#N)c(C)s1 77094399 YUHQDDZFZGNHMG-UHFFFAOYSA-N 271.385 4.774 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCC[C@@H](C2CC2)C1 81642647 UFGBGZQTQGONDJ-CZUORRHYSA-N 274.795 4.614 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 83828740 WPNWJCNLOVRKAP-ZYHUDNBSSA-N 282.309 4.568 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(NC2CCCCCC2)CC1 86949537 GOEZIJHZMOTRCT-AEFFLSMTSA-N 276.468 4.797 30 10 CJEE CC(C)[C@@H](CS)COc1cccc(C(C)(C)C)c1 94584385 XCSWUIYNUNPQFL-CYBMUJFWSA-N 266.450 4.565 30 10 CJEE Cc1cccc(SCC2(CS)CCCCC2)c1 94589598 PFZNBIJPVPFPHD-UHFFFAOYSA-N 266.475 4.967 30 10 CJEE CCCCCCCNCc1ccc(OC(C)C)cc1 100027327 FQMITZFJCFHWCO-UHFFFAOYSA-N 263.425 4.534 30 10 CJEE CCCOc1cc(C)c(Cl)cc1[C@@H](C)CCS 107621927 XVOHWPQNHGLKKC-JTQLQIEISA-N 272.841 4.861 30 10 CJEE CCCCCCC[C@H](CNC1CC1)Cc1ccccc1 110182579 XXEXTOFDZOGFCZ-SFHVURJKSA-N 273.464 4.958 30 10 CJEE CCCCCCC[C@H]1CCc2ccccc2[C@@H]1NC 110462159 SHFIZQAVELDPQO-FUHWJXTLSA-N 259.437 4.870 30 10 CJEE Cc1nc(C)c([C@@H](C)Nc2ccc(C(C)(C)C#N)cc2)s1 111360389 UCUOHSMQQIKDNP-GFCCVEGCSA-N 299.443 4.734 30 10 CJEE FC(F)c1c(C(F)(F)F)cccc1C(F)(F)F 112731807 NYJSWOXKPSGKEI-UHFFFAOYSA-N 264.115 4.662 30 10 CJEE CCCCCCCCC[C@@H](N)C1(N2CCCC2)CCCC1 118177218 REDDIQDRLLHVQB-GOSISDBHSA-N 294.527 4.863 30 10 CJEE CCCCCCCCCC[C@H](N)CCN(CC)CC 118213973 UAGFETWBEOXUTJ-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CCCCCCCC(=O)c1cc(F)c(C)cc1F 122058526 SJMJNAVWODVLRU-UHFFFAOYSA-N 254.320 4.816 30 10 CJEE N#Cc1ccc(Nc2c(F)cccc2Cl)cc1Cl 122243378 DUKOQINSSWPXEI-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE N#Cc1cc(Cl)nc(Nc2cccc3ccccc23)c1 122612619 NVZPEEWQEDBSOY-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCO[C@@H]1C 125187653 SJOADCWDPZGMMR-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCOC1)NCC 130370019 JMSFBCFIDXJZGG-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](OCC)C1CC1 130518502 KIHPJHVFNAVFCU-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](OC)C1CCCCC1 131106770 JLKYUVRKHROIQV-MSOLQXFVSA-N 298.515 4.554 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(Br)cc1C#N 132135709 YNIJJUMFBGIYLK-LLVKDONJSA-N 295.224 4.701 30 10 CJEE CCCCCCCCCOc1ccc(Cl)nc1 134106087 TZKCJDYJPNMEQQ-UHFFFAOYSA-N 255.789 4.864 30 10 CJEE CCCCCCCCCC[C@H](O)c1cnccc1C 135510635 FPTPORZEESLAPK-KRWDZBQOSA-N 263.425 4.954 30 10 CJEE CCCC[C@@H](CC)COc1cccc(SC)c1C#N 136709354 QHBZHXFJEVFLIB-CYBMUJFWSA-N 277.433 4.875 30 10 CJEE CCSc1cccc(SCC2CCCC2)c1C#N 136996624 DTZMLCODNPZLLY-UHFFFAOYSA-N 277.458 4.953 30 10 CJEE CCCCCCCC[C@H](NC)c1snnc1CCC 140273864 WHRZTUQWMAECJH-ZDUSSCGKSA-N 283.485 4.502 30 10 CJEE CCCCCCCCCCOC(=O)NCCCC 143303806 VOBKRDGNOKHRIF-UHFFFAOYSA-N 257.418 4.653 30 10 CJEE CCCCCCC[C@H](N)c1cc2c(s1)CCC2 158043795 WAQJJPWFGKMSPU-ZDUSSCGKSA-N 251.439 4.597 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CCC(C)(C)O2)CC1 161269738 GNCLVZUUWUMAKZ-ISXOHVOVSA-N 263.425 4.834 30 10 CJEE CCCCCCCCCC[C@@H](N)CC[C@H]1CCCO1 162314931 JDBUGCUSUXEDMB-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)ccc2F)CCCCCCC1 165711081 VSYHNRUPSOSSFP-HNNXBMFYSA-N 295.785 4.767 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1CCOC 190003834 MTZBRXSFLJPDBU-UHFFFAOYSA-N 291.435 4.565 30 10 CJEE C=CCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 219489874 DTHNAUYWXUXRMG-YESZJQIVSA-N 251.458 4.785 30 10 CJEE Cc1cccc(C#N)c1Nc1ccccc1C(C)C 220986398 LZDFFJXITCRRGG-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1c(F)cc(C#N)cc1F 221636269 SCZCPJKYIIWBMT-FFSVYQOJSA-N 293.357 4.676 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cc(F)cc(C#N)c1 227632568 ITRRMNLTMMQKST-DQYPLSBCSA-N 275.367 4.537 30 10 CJEE CCCCCCCCCC[C@H](NN)C1[C@@H]2CCCC[C@@H]12 228811641 ZRNRHTFHAORMQI-ZACQAIPSSA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cncc(C)c1 229002947 SVEGFEWJTKMACC-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1c(Cl)ccc(F)c1Cl 229930938 FOLDBSMBDITHMM-NXEZZACHSA-N 288.193 4.585 30 10 CJEE CC(C)(C#N)CCCCOc1ccc(F)c(Cl)c1 232520625 YFCODKWRAIPHOR-UHFFFAOYSA-N 269.747 4.578 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2ccc(C)c(Cl)c2)CC1 232911312 JJGZHTCTSOFSOF-BLDCVEFLSA-N 291.822 4.792 30 10 CJEE CCCCCCCCCC[C@](CN)(CC(C)C)C(=O)O 232927666 BDCWVHKIJZFYBK-QGZVFWFLSA-N 285.472 4.593 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C)cc1Cl 233160355 RAHYYWPKGTZKPI-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@H](NCC)C1CCC(C)CC1 233534657 SIRRDUDCDMSQAT-JCYILVPMSA-N 251.458 4.927 30 10 CJEE CC[C@@H](Nc1cccc(C)c1C#N)c1cccc(F)c1 233894540 GENITDOABHQORM-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE CC[C@H]1CCCC[C@H]1OCCCCC(C)(C)C#N 234065233 GEYKANVKENFRGU-LSDHHAIUSA-N 251.414 4.692 30 10 CJEE Cc1ccc(Oc2ccc(Cl)c(C)c2)c(C#N)c1 235919336 IHVJJJCMGMBUSX-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCN1C[C@H](C(C)C)NC[C@H]1C(C)(C)C 250828019 OVCBPCAOJLFOLS-MSOLQXFVSA-N 296.543 4.691 30 10 CJEE CC[C@@H](C#N)c1nc(-c2coc3ccccc23)cs1 259117705 GCSGGDOPTGKRAF-JTQLQIEISA-N 268.341 4.573 30 10 CJEE C[C@H](CC#N)c1cccc2c1ccn2C1CCCC1 260219004 ZVMRVVXEHRNUHN-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE Cc1ccc(C(C)(C)CC#N)cc1OCc1ccccc1 260629344 SOAQKMNSVDSUIS-UHFFFAOYSA-N 279.383 4.765 30 10 CJEE N#CC[C@H](c1cccc(C2CCSCC2)c1)C1CC1 260680091 UZCLFEXYADMFQZ-KRWDZBQOSA-N 271.429 4.704 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C/C1=C\B1OC(C)(C)C(C)(C)O1 306611550 LWEWUNGPSOOOOB-RFHWTAPTSA-N 278.245 4.636 30 10 CJEE CCC[C@@H](Nc1cc(C)cc(C#N)c1)c1ccccc1 308124026 VDJUOUDTYZOORD-GOSISDBHSA-N 264.372 4.820 30 10 CJEE C=C(C)CC[C@@H](O)c1ccccc1OCc1ccccc1 310031584 XYRDUXLBYZRREH-GOSISDBHSA-N 282.383 4.655 30 10 CJEE CCCCCCCC(=O)[C@@H]1C(=O)c2ccccc2[C@@H]1C 313500110 KLIIJRYGRMKFLA-SUMWQHHRSA-N 272.388 4.532 30 10 CJEE O=CC1(Cc2ccc(Cl)cc2F)CCCCCCC1 316776558 UZVGDUZQYHCJJG-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2CC[C@H](C)[C@H](C)C2)C1 316913431 VSRNLZNYGLOOCP-UTSKFRMZSA-N 250.426 4.844 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1cccc(C(F)(F)F)c1 316940886 GYUJYCHZSNQSPW-SWLSCSKDSA-N 284.321 4.643 30 10 CJEE C[C@@H]1CCC[C@H](CC2(C=O)CCC(C)(C)CC2)C1 317635650 XEKGEXKUPWTHMW-CABCVRRESA-N 250.426 4.988 30 10 CJEE C=CCSc1ccccc1N[C@@H](CC)C1CCC1 322731597 VZVCAPDBQCXKMR-AWEZNQCLSA-N 261.434 4.955 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CCCC#N)c1ccccc1 340451629 OOLLTZGHHUKLDA-ROUUACIJSA-N 270.420 4.756 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(OC(C)C)cc1 383966255 DEECEEPWLHIKTM-HNNXBMFYSA-N 275.436 4.727 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1[C@H]2COC[C@H]21 385741689 ZRNZOIDUURTZJK-XWTMOSNGSA-N 282.468 4.551 30 10 CJEE CCCCCCCCCC/N=C1/N[C@H](CC)[C@@H](C)S1 386730570 BCCYILAPWXBZSW-HUUCEWRRSA-N 284.513 4.987 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@@H]1CCC[C@H](CC)C1 387638641 WPTSGYWGQIDYLK-KSZLIROESA-N 281.484 4.552 30 10 CJEE C=CCCCC[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 390800711 OMZUKHKNGHDLSK-LSDHHAIUSA-N 281.440 4.816 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1C[C@H](OCC)C1(C)C 393239588 GRASDRLOWNJVIK-ULQDDVLXSA-N 283.500 4.776 30 10 CJEE C=CCCC[C@H](C)Nc1ncc(Cl)cc1Cl 398149484 FVIXQSMDSVKNFF-VIFPVBQESA-N 259.180 4.545 30 10 CJEE CCCCCCCC[C@@H](CC[C@H]1CCOC1)NCC 400964358 JUMZZBXITFRFCO-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCN[C@@]1(C#N)CCC[C@@H](CSC2CCCCC2)C1 403251634 GCEJKGVYQVMSOX-WBVHZDCISA-N 294.508 4.504 30 10 CJEE C=CCCCSCc1nc(-c2ccsc2)oc1C 522756285 QHQOAMHLJRDYHS-UHFFFAOYSA-N 279.430 4.911 30 10 CJEE C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1C(C)(C)C 670057828 OPIVXAMOOFDENE-UHFFFAOYSA-N 294.826 4.677 30 10 CJEE C#CCCCCCOc1ccc(OCc2ccccc2)cc1 686680080 BIFFFAPMMBDWEX-UHFFFAOYSA-N 294.394 4.838 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CN 686691348 KDDNEXYRBSYARD-IKGGRYGDSA-N 263.469 4.607 30 10 CJEE Cc1cc([C@@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)cs1 688340495 CECIULZLZVBIBQ-CQSZACIVSA-N 291.460 4.836 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCSC1 689480347 SQHRSFDTKNITKH-HNNXBMFYSA-N 258.471 4.775 30 10 CJEE C[C@H](CC1CCCC1)Nc1ccc(Cl)c(C#N)c1 689864118 LHQGQHKDDTUDER-LLVKDONJSA-N 262.784 4.592 30 10 CJEE Cc1cccc(C#N)c1Nc1cc(Cl)cc(F)c1F 691329709 GZXIDKOFNZWBKP-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCCCC[C@]1(CN)CCOC1(C)C 693133722 HLGCPCNPBZEIAF-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1NCC 698709118 NCZKVBMOFKIDMV-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE Cc1c(F)cc(C#N)cc1NC1C(C)(C)CCC1(C)C 699591718 AOMBFYBPYOQYLW-UHFFFAOYSA-N 274.383 4.633 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc2ccncc2c1 702673710 IPAXLFMBFBKJHK-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CCSC[C@H](NCC)c1c(Cl)cccc1Cl 708674168 PIDKPOPOQFANTC-LBPRGKRZSA-N 290.259 4.563 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@H]2CC[C@@H](N2)[C@H]1C 709289669 PZFWSFZLIFPMBY-KLHDSHLOSA-N 255.421 4.606 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nc(C)sc1C 709353184 NCHYNEVOKYPOGG-GLQYFDAESA-N 278.465 4.545 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(F)c2ccccc12 714938657 TVTLRHZPQFXQFG-UHFFFAOYSA-N 265.262 4.657 30 10 CJEE CC(C)C(C)(C)CSC[C@@H](C#N)C1CCCC1 718830915 GHAQXXLXQIHYIH-CQSZACIVSA-N 253.455 4.732 30 10 CJEE C=C1CCC(CN[C@@H](CC)c2cccc(F)c2)CC1 724447554 WSETXRLGKKRBLJ-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=C1CCC(COc2ccc(Br)c(F)c2)CC1 724569969 MKUPCJIHSWDAIL-UHFFFAOYSA-N 299.183 4.713 30 10 CJEE C#CCCCCC(=O)Nc1cccc(C2CCCCC2)c1 1131546214 UMKOEKTUNIBSMA-UHFFFAOYSA-N 283.415 4.866 30 10 CJEE C=C[C@@H](C(=O)N1CCC[C@H]1CCCCC)c1ccccc1 1137489664 ITMGWYMJPBSXPD-QZTJIDSGSA-N 285.431 4.528 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cccc(-c2cccs2)c1 1144073501 ZEQWATPFJKZXFA-UHFFFAOYSA-N 285.412 4.956 30 10 CJEE C=CCN(Cc1ccsc1C(F)(F)F)c1ccccc1 1180970115 OFRAHBLIHIZUHJ-UHFFFAOYSA-N 297.345 4.960 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1c(C)cccc1CC 1214577177 FKXFBLQWJIFAQW-UHFFFAOYSA-N 288.435 4.671 30 10 CJEE C=CCCCC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 1288261938 DBRBBEPPSKFASY-CYBMUJFWSA-N 289.272 4.554 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1 1288363984 DJVMZEHLVZBYFU-ZSYWTGECSA-N 297.442 4.636 30 10 CJEE C#Cc1ccc(C(=O)Nc2cccc(-c3ccccc3)c2)cc1 1297527570 CXNNHPYCZXPZOP-UHFFFAOYSA-N 297.357 4.587 30 10 CJEE C=CC[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 1307256747 HGENMPMRUUDLKU-NSHDSACASA-N 291.445 4.647 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1sccc1-c1ccccc1 1357587193 ORBMEDYFLJCMHM-CQSZACIVSA-N 299.439 4.890 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccc(Cl)c(CCC)c1 1357587201 OZJOUFQRSXBJTG-ZDUSSCGKSA-N 293.838 4.767 30 10 CJEE C=CCCC(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 1435107485 AHVVZEUBBHNWLX-SYNHAJSKSA-N 299.458 4.945 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cc(-c2ccccc2)cnc1C 1435795331 BSXHNIYCBNPSCF-UHFFFAOYSA-N 294.398 4.598 30 10 CJEE C=CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C 1436166338 IBYPGWAUQJWGQG-INIZCTEOSA-N 293.838 4.552 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1CCC)c1ccccc1 1457161473 KHKHXROTIHCLIH-SCTDSRPQSA-N 299.458 4.774 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(CF)cc1 1460055331 NYLYQNJCMOJHNL-UHFFFAOYSA-N 283.390 4.734 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2(c3ccc(C)cc3C)CC2)C1 1461538794 BNOIOBUDWJPNNU-QZTJIDSGSA-N 283.459 4.669 30 10 CJEE C=CCCC(C)(C)NCc1ccc(-c2ccc(F)cc2)o1 1461662472 XUDUXBJRPFTKHZ-UHFFFAOYSA-N 287.378 4.920 30 10 CJEE C=CCCCCCN(C1CC1)[C@@H](C)c1ccccc1 1473460924 ILUQECHFYFPJCF-INIZCTEOSA-N 257.421 4.958 30 10 CJEE C=CCC[C@H](CC)Nc1cn(C)nc1C1CCCCC1 1474538877 YBGMGENINAGCLP-HNNXBMFYSA-N 275.440 4.625 30 10 CJEE C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 1518399393 KDQJIRFZSTWSLI-KPFFTGBYSA-N 297.442 4.517 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@@H](C)CC(C)C)CCCC1(C)C 1519871332 UTVCZQIIOUWURR-HOTGVXAUSA-N 279.468 4.652 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCC[C@@H]1CC 1525235380 CSBIPOASLSHYNU-NLWGTHIKSA-N 299.458 4.506 30 10 CJEE 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C=CCN(CCc1cccc(Cl)c1)c1ccccc1 1621263081 PQCWTFLGYLPCIQ-UHFFFAOYSA-N 271.791 4.575 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)Cc2coc3ccccc23)c1 1621389873 AVZWJJYCENIHFZ-AWEZNQCLSA-N 290.366 4.656 30 10 CJEE C=CCCCCN(Cc1ccc(C)c(C)c1)C1CC1 1641847000 NTIAUAHKRMUXNJ-UHFFFAOYSA-N 257.421 4.624 30 10 CJEE C=CCCCN[C@H](c1ccc(Cl)cc1)C1CCC1 1642503854 CVUFZSCAVZWIHZ-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=C(C)CCN1CCCC[C@H]1c1cccc(Cl)c1 1653452137 AFUVXGHHWQCFRQ-INIZCTEOSA-N 263.812 4.833 30 10 CJEE C=CCCCN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 1657997087 VVQUGSIBBDDNBI-INIZCTEOSA-N 295.426 4.979 30 10 CJEE C#CCCCCCCN(c1ccccc1)[C@@H](C)C1CC1 1659785792 WPVLHTQPSXZMRE-KRWDZBQOSA-N 269.432 4.875 30 10 CJEE C=C1CCC(CN[C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 1660674795 STYVXHJRKMHVTG-CWRNSKLLSA-N 275.461 4.576 30 10 CJEE C=CCCC(C)(C)NCc1ccc2cc(OC)ccc2c1 1662936422 JFPHDKLAAUBXRO-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CCCCC 1664987235 JAGPSBIOXJGDSE-WMZOPIPTSA-N 259.437 4.732 30 10 CJEE 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30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@]1(C)CCCC(F)(F)C1 2271840125 YZQKEAKNWHGFRS-CABCVRRESA-N 273.411 4.927 30 10 CJEE COCCCCCCC1(C#N)CCC(C(C)C)CC1 2271934253 DIOIBCLWSPHELI-UHFFFAOYSA-N 265.441 4.939 30 10 CJEE CC1CCC(COc2cc(Cl)c(F)cc2C#N)CC1 2271944662 DEQDZSPVXBGQHK-UHFFFAOYSA-N 281.758 4.556 30 10 CJEE C=C[C@H](C)CCN(C)Cc1csc(-c2cccs2)n1 2273231166 XVFFZBPLAAOJMS-LBPRGKRZSA-N 292.473 4.516 30 10 CJEE C=C[C@@H](C)CCN(C)Cc1ccc(C2CCC2)cc1 2273231293 YNVPZNAQXJPDGM-OAHLLOKOSA-N 257.421 4.598 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@]12CCC[C@H]1CC2 2273323239 APBNITIYAQWQTP-BZSNNMDCSA-N 261.453 4.519 30 10 CJEE O=C(C#CC1CCCCC1)c1csc(C(F)(F)F)c1 2273905036 DIQOYHGBOXTZBC-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE CN[C@H](C#CC1CCCCC1)c1c(Cl)cccc1Cl 2274051970 ZQLROUPPDANOPE-OAHLLOKOSA-N 296.241 4.838 30 10 CJEE CCCC#C[C@@H](NCCC)C1CC(CC(C)(C)C)C1 2274196025 FEMAOENXWKFAKZ-OFLPRAFFSA-N 263.469 4.621 30 10 CJEE C=C(C(C)(C)C)[C@](C)(CCCCCC)OCCCN 2276918206 BKZGDJRJRYDIBJ-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC[C@@H](C)NCC 2278170942 HJIKQWXWACSNOC-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@H](C)NCCC 2278171140 JOXLILVDRSFQIG-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2cccc(C)c2n1 2279590489 DLQPXVSZWITDRV-QGZVFWFLSA-N 271.404 4.937 30 10 CJEE Cc1cc(NC[C@H]2CCCC3(CC3)C2)cc(C)c1C#N 2280563474 NGZHJVXVBPGZTG-HNNXBMFYSA-N 268.404 4.557 30 10 CJEE CN(CC[C@H]1CCCC12CC2)c1cccc(Cl)c1C#N 2281419029 JOVMVFHDFOTKDB-CYBMUJFWSA-N 288.822 4.618 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccnc(C(F)F)c1C 2283099589 BSMHWHCSOXKJGX-MRXNPFEDSA-N 284.394 4.862 30 10 CJEE N#C[C@@H](c1c(F)cccc1F)[C@@H]1CCC2(CCCC2)C1 2285128776 NPKSVSFHXHCWJZ-CHWSQXEVSA-N 275.342 4.932 30 10 CJEE N#Cc1cc(-c2ccc(C(F)(F)F)cc2Cl)ccc1O 2285198344 OOTBKTVUFRCAFB-UHFFFAOYSA-N 297.663 4.603 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CC(C)(C)OC1(C)C 2287409121 QJSOBMPWLJRBPM-HOTGVXAUSA-N 281.484 4.695 30 10 CJEE C=C(C)CCCCOc1cccc(CN[C@@H](C)CC)c1 2287413920 MGTYYEHZUUEHFW-INIZCTEOSA-N 275.436 4.700 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)C1CCC(C)(CC)CC1 2287681531 PPWMJGDDIWMKPN-ABHNRTSZSA-N 281.484 4.673 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@](C)(C2CC2)CS1 2287882610 CJBCWHHZUPBHDF-PBHICJAKSA-N 296.524 4.700 30 10 CJEE C=CCCCCCCCCNCC1CC(OC(F)F)C1 2288340153 LLEZFGICNBOWME-UHFFFAOYSA-N 289.410 4.511 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)C[C@H]2CCCC[C@H]21 2288414018 SRGGVTBZYNAHKJ-NUJGCVRESA-N 279.468 4.604 30 10 CJEE CC[C@H](C)c1ccc(Oc2ccnc(C#N)c2C)cc1 2288436005 ZXJKYLBIMYALOL-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE O[C@]1(C#CC2CCCC2)CCCC[C@@H]1C1CCCCC1 2289772332 HLCVVQQWSPHXRN-MOPGFXCFSA-N 274.448 4.682 30 10 CJEE CCCCCC1CCC([C@H](O)C#CC2CCCC2)CC1 2289789100 TVSVJDCGOBBFQH-CTWPCTMYSA-N 276.464 4.928 30 10 CJEE O[C@@H](CC#CC1CCCC1)c1cc2c(s1)CCCCC2 2289846324 SGMFNCNEGUAFTJ-INIZCTEOSA-N 288.456 4.634 30 10 CJEE CC1CCC(CC#CC2CCCC2)(CNC(C)C)CC1 2289898536 FOPMFBYCZUAZAD-UHFFFAOYSA-N 275.480 4.765 30 10 CJEE CC(C)(C)CC1CC([C@@H](C#N)Nc2ccc(F)cc2)C1 2289935029 PKDQDUAXPQUQHR-SEEARECTSA-N 274.383 4.592 30 10 CJEE CN(c1ccccc1C#N)[C@@H]1CC(C)(C)CCC1(C)C 2290320199 PFHHBCJXGKNFEA-MRXNPFEDSA-N 270.420 4.599 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@H]1CC=CCC1 2290914223 GUFROCQUVNRAKX-JKSUJKDBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@](C)(OCC(=O)O)c1cccs1 2291577816 BCFCRZSVUGKAGH-MRXNPFEDSA-N 298.448 4.815 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)c1cccc(SC)c1 2292777546 WXIRABZLTVLJOT-QGZVFWFLSA-N 293.476 4.561 30 10 CJEE C=CCCCCCC[C@](C)(Cc1ccsc1)OCCN 2292795522 CGLLWSHVSQGVPY-QGZVFWFLSA-N 295.492 4.551 30 10 CJEE CCCCCCC[C@](C)(CC1[C@H]2CCC[C@H]12)OCCN 2292993788 KEERNGBYSOSKJI-XYJFISCASA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@]1(OCCCN)C[C@H](C)[C@H]1C 2293704934 FOEVTVRANVLYNC-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C1CCC(C)(C)CC1 2294229826 CTBVXSHLVGLVFE-NVXWUHKLSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@](C)(C=C1CCCCC1)OCCN 2294238101 VQZKYXGFHGKUAJ-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2ccc3cccc(Cl)c3n2)C1 2294976721 METUJOUJSHPGHD-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@H](CCC)C(=O)O 2295530908 GAKNFPCAUZEULS-JKSUJKDBSA-N 285.472 4.701 30 10 CJEE C=CC[C@@H](C)O[C@](C)(CCCCCCCCC)C(=O)O 2295596206 ILRLBDZCWBVPKF-NVXWUHKLSA-N 284.440 4.952 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@]1(C)C[C@H]1C 2295597567 WYXVRHIYHLQSGT-NXHRZFHOSA-N 282.468 4.883 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CCC)CC[C@H]1C#N 2298908562 QLMQDDXFZPBNKG-LJISPDSOSA-N 251.439 4.793 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(F)cc1Br 2304079549 VSJFWKYXMNIFNL-CQSZACIVSA-N 299.183 4.763 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]2CC[C@H]1C2 2312902377 COSQPFLTZSSFJH-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=C(C)CC[C@@H](NCC)c1c(F)ccc(C)c1Cl 2314004412 AOCBPRUAWHIQNK-CYBMUJFWSA-N 269.791 4.794 30 10 CJEE Cc1c(Cl)ccc(NCc2cc(C#N)cs2)c1Cl 2317856092 FUSCGFYBXMNFBI-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE CCC[C@H](OCC[C@@H](C)CCS)c1ccccc1 2318100426 AVEPVQPWNDCXFM-ZBFHGGJFSA-N 266.450 4.891 30 10 CJEE CCCCCCC[C@H](O)CC[C@H]1CC[C@H]1C1CC1 2319605224 GQMIWFSVXGNPFH-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CC(C)C1)NCCC 2321146470 YUMMOPPVEWLIEG-ISXOHVOVSA-N 251.458 4.783 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@@H]1CC12CCCC2 2327109168 IJVLEUOTWYOJKT-DZGCQCFKSA-N 270.482 4.566 30 10 CJEE C#CC[C@@H](C)COc1ccc2ccccc2c1Cl 2327920406 FBZKZJFFHMWVMF-GFCCVEGCSA-N 258.748 4.531 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@H](CS)CC(C)C 2328520767 JICCYVNCARXWQS-CYBMUJFWSA-N 286.868 4.928 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC1CC2(CCC(C)CC2)C1 2337078398 AHOSZCWYSCTIGI-GCODOSRSSA-N 261.453 4.680 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC1CC2(CCCCCC2)C1 2337111962 PSUQLPQKHXNFNZ-DOTOQJQBSA-N 261.453 4.824 30 10 CJEE NC1(C#CC2CCC2)CCCCCCCCCCC1 2337445140 HCFWZRHLRCOIMA-UHFFFAOYSA-N 261.453 4.792 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCCCCCCC1(F)F 2338701711 GRAXDQMGJLMCHB-HNNXBMFYSA-N 272.379 4.866 30 10 CJEE C=CCC(CC=C)Cc1cccc(OC(F)(F)F)c1 2338715346 QOSCKGMFGBCKNZ-UHFFFAOYSA-N 270.294 4.896 30 10 CJEE C[C@H]1CC=C(C(=O)C[C@H]2C[C@H]3CCC[C@H]2CC3)CC1 2338925658 VNRMCSLDLZSDAF-QBYUYEEZSA-N 260.421 4.908 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1C[C@H]2CCC[C@H]1CC2 2339015222 YJSRZVBHWNEJQC-SLEUVZQESA-N 274.795 4.592 30 10 CJEE C#Cc1ccccc1N[C@@H](C)C1CCC(C)(C)CC1 2339955563 VAUGKKUSCNTTRO-AWEZNQCLSA-N 255.405 4.685 30 10 CJEE CC(C)[C@H](C)[C@H](C)[C@@]1(C#N)CCCc2ccccc21 2340246107 YZDUSEOYTQOXAO-MPGHIAIKSA-N 255.405 4.712 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCC 2341928499 IKTSKEMUWRBVCF-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CC[C@@H]1C1CC1)NCC 2342285006 LAHIFFADPAJQQO-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](CCCCC(F)(F)C(F)(F)F)NCC 2342336091 UAFLNZVHOFKGIM-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CC1(C=O)CCC2(CC1)CC2 2343335203 RFXLTTFZBJHJHB-GJZGRUSLSA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCC(F)(F)C1 2344341692 DPQMSLJQYVSXOM-KFWWJZLASA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC(C1CC1)C1CC1)NCC 2344344548 SNBXNKTYGBPQFW-ZWKOTPCHSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1c(F)cccc1Cl)NC 2344386074 UHZVVLNXUOTVJT-HZPDHXFCSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NC 2344394215 AXEXZVAKQBPGAT-VGWMRTNUSA-N 263.469 4.639 30 10 CJEE CSc1cc(NCCCC[C@H]2C[C@@H]2C)ccc1C#N 2353828962 UCLFOQNUWRRIBZ-STQMWFEESA-N 274.433 4.518 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1CCO[C@@H]1C 2358665392 DISRNNLKNFAQOK-KZNAEPCWSA-N 281.484 4.696 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@H](C)NCC)cc1C 2360214750 LZBARTUHNSLJTK-HNNXBMFYSA-N 273.420 4.565 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCCCC2(C)C)C1 2360306969 KRMMALNAIZZLQQ-BRWVUGGUSA-N 276.468 4.750 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCc1cccc(C#N)c1 36968549 GMJGSOPKALECHH-UHFFFAOYSA-N 279.383 4.743 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H](c1ccccc1)C1CC1 41075568 CNCHFVKGEIRBFM-SFHVURJKSA-N 280.346 4.569 30 10 CJEE COc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 83193766 UFSDPQDDMVEFPC-ZHACJKMWSA-N 294.394 4.825 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(NC2CCCCC2)CC1 86949515 PGLDAJURHFHXGP-NVXWUHKLSA-N 262.441 4.551 30 10 CJEE C[C@H]1CCC[C@H](C)C1Nc1ccc(C#N)c(C(F)(F)F)c1 88191281 MFSOPGARTMIJBM-QWRGUYRKSA-N 296.336 4.814 30 10 CJEE CCCCCCCCCCCC[C@H](O)CNC(C)C 91469792 PRJQSDQECGLIGQ-KRWDZBQOSA-N 271.489 4.656 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OC[C@@H](CS)C(C)(C)C 94583621 BXLOCBCVWRFYSX-RDBSUJKOSA-N 258.471 4.564 30 10 CJEE CCC[C@@H](CS)CSc1nc2ccccc2s1 94588989 DTBZNPHKJSMFRO-JTQLQIEISA-N 283.487 4.735 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2ncccc2c1 97208763 LPECVWWLFGRKQP-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCO[C@H](c1cccs1)[C@@H](N)CC 103454446 TXMVBEYSVLPFPF-ZFWWWQNUSA-N 269.454 4.514 30 10 CJEE CCCCCCC[C@](C)(N)c1nc2c(s1)CCCC2 104438971 CEHUGPGWPKCLLJ-INIZCTEOSA-N 280.481 4.556 30 10 CJEE CCCCCCCn1cc(C=O)c2cc(C)ccc21 106586650 QJLBVOAEZAWHKX-UHFFFAOYSA-N 257.377 4.733 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cccc(Br)c1 107494749 VNNFGVJXEBFUPH-NEPJUHHUSA-N 265.194 4.602 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(C)cc(C)c1OCC 107663940 MXMSHOLNFNYYTC-GDBMZVCRSA-N 258.405 4.855 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(F)ccc1OCCC 107681993 BRVUBPMKCOZXFH-UONOGXRCSA-N 262.368 4.768 30 10 CJEE CCCCCCCCCOc1cccc2c1CC[C@@H]2N 110100858 MUWOFESZZSOKFA-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCC[C@@H](CN)Cc1ccccc1Cl 110181808 PVAZGWAWRBYQMW-CQSZACIVSA-N 267.844 4.818 30 10 CJEE CC(C)CCC[C@H](C)Nc1ccc(C#N)cc1Cl 110255736 FVLBGVJTMTUQHC-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE CCCOc1ccc(Oc2cccc(Cl)c2C#N)cc1 110261633 ZWEYVUXKGIDIJM-UHFFFAOYSA-N 287.746 4.793 30 10 CJEE C[C@@H]1C[C@H](Oc2cccc(Cl)c2C#N)CC(C)(C)C1 110261780 BJEWMKLIXPAUEX-NEPJUHHUSA-N 277.795 4.805 30 10 CJEE CCCC[C@H](CC)COc1cc(C)ccc1/C(C)=N/O 110963129 GIEWQDMULHGBPI-JZBMNUFDSA-N 277.408 4.788 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(N(C)C)cc1 115651551 VUAYIZXNDYQRRE-SFHVURJKSA-N 277.452 4.927 30 10 CJEE CCCCCCC[C@@H](O)CSc1ccccc1F 117373000 RNQJNAFQYSAXGE-CYBMUJFWSA-N 270.413 4.639 30 10 CJEE C#CCCC[C@@H](CCCCCCCC)NCCC 122825646 CCYZVTZQRJTRCS-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CCCCCCCCCC[C@@H](NC)C1(OC)CCC1 123979653 MJLJNLKGWRJVQL-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C(F)(F)F)cc1 125634108 GUSWZHRYVIETJP-AWEZNQCLSA-N 271.326 4.712 30 10 CJEE CCCCCCCCCC[C@H](Cc1ccccc1F)NN 125787256 WQOCXMVKYQERAV-QGZVFWFLSA-N 294.458 4.731 30 10 CJEE Cc1cc(Nc2cc(Cl)ccc2C)ccc1C#N 133345957 IKIXPZCNOLJZFA-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=C(CNc1ccccc1CCC)c1ccccc1 134361901 QBNKMWDMCDIGRK-UHFFFAOYSA-N 251.373 4.764 30 10 CJEE CCCCCCCCCCNc1ncnc(Cl)c1OC 134768415 ZKGHFKDRRDTVFD-UHFFFAOYSA-N 299.846 4.691 30 10 CJEE CCCCCCCCC[C@@H](O)CCc1ccco1 135351328 DWWBHRMRQAAQSP-OAHLLOKOSA-N 252.398 4.714 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCCCO1 159121796 LNEUAYSJTZWZST-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCNCc1ccc(Cl)cc1F 160872764 SICTUKJHCJVGLS-UHFFFAOYSA-N 271.807 4.929 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC[C@H](C)c3ccccc32)cc1 163861266 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C[C@@H]1CCC[C@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 300009518 YJGFSEWZIYGQMC-BRWVUGGUSA-N 275.436 4.978 30 10 CJEE C=CCCCCCCNC1CC(c2ccccc2)C1 312095585 DZDQSZGPFHRASP-UHFFFAOYSA-N 257.421 4.659 30 10 CJEE CCCCCCCCCCNc1nc([C@@H](C)OC)ns1 312371924 PXBQWBDUTABFLA-CYBMUJFWSA-N 299.484 4.798 30 10 CJEE CC1(C)CCC[C@H](Nc2cccc(CC#N)c2)CC1 313448148 NAVNFZHGICEOKA-HNNXBMFYSA-N 256.393 4.523 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCC3(CCCC3)O2)C1 317290099 KLPVCENQZQSLHE-ZACQAIPSSA-N 278.436 4.654 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2CCOC3(CCCC3)C2)C1 317386010 XTCMPTFPPAWBEE-ZACQAIPSSA-N 278.436 4.511 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)[C@@H](C)C2CCC2)C1 325728310 AILWYORABOKGJX-IDCNUPLLSA-N 276.468 4.605 30 10 CJEE C=C([C@H](NCCC)c1ccc(C)cc1Cl)C(F)(F)F 382547540 ZNVHMUOMUXLCIM-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCc2ccccn2)CC1 383192014 AEIPAQPBGQTMGM-UHFFFAOYSA-N 270.420 4.760 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccc(C(F)(F)F)cc1F 384768119 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4.738 30 10 CJEE C=CCCCOc1cc(C)c(CNC(C)(C)C)c(C)c1 2282965367 ZEOIVRFGJLSZRL-UHFFFAOYSA-N 275.436 4.537 30 10 CJEE CCCc1ccc([C@H](N)CC#CC2CCCCC2)cc1 2283482573 LSUIADYKKQAPDB-LJQANCHMSA-N 269.432 4.613 30 10 CJEE CCCc1ccc(CC2(C#N)CCC(F)(F)CC2)cc1 2283538436 YWIGBLOCSRMEMV-UHFFFAOYSA-N 277.358 4.901 30 10 CJEE CN[C@H](C)c1cccc(SCC=CC#CC(C)(C)C)c1 2284078094 XISPSWCTZSVYOK-OAHLLOKOSA-N 287.472 4.665 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc2sccc2c1 2284136828 HESPXUNNGNTORC-MRXNPFEDSA-N 284.424 4.931 30 10 CJEE CC1CC(CS)(COc2cccc(OC(C)(C)C)c2)C1 2285773681 SJKNXIHXXHHNNI-UHFFFAOYSA-N 294.460 4.589 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1nc(C)cc2sccc12 2286129807 WASJAJKBFIYBAX-IUODEOHRSA-N 288.460 4.858 30 10 CJEE C=CCCCCCCCSc1ccnc(CNCC)c1 2287063161 NIASTQNYOLOCMG-UHFFFAOYSA-N 292.492 4.810 30 10 CJEE C=C(C)CCCCC(=O)[C@](O)(CC)c1cccc(Cl)c1 2287471180 YSROFIFPZHUDME-KRWDZBQOSA-N 294.822 4.643 30 10 CJEE C=C[C@H](C)CCNCc1ccc(-c2ccccc2)cc1 2288905052 NUIKFMOGRFNBKQ-INIZCTEOSA-N 265.400 4.655 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@]12CCC[C@@H]1CC2 2289014650 OOBBHFALGWRKQW-FGTMMUONSA-N 278.484 4.705 30 10 CJEE CCC(CC)([C@H](C#CC1CCCCC1)NC)C(F)(F)F 2289789728 HGLJZAXIACTQLW-AWEZNQCLSA-N 289.385 4.527 30 10 CJEE CN(CC#CC1CCCC1)[C@@H]1CCC2(CCCCC2)C1 2289880747 JMLRWSAAFMCYNL-GOSISDBHSA-N 273.464 4.615 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)CC[C@@H]1CC 2291580055 VHFZCNKEWCTIBJ-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=C(CC)C[C@@]1(OCCC(=O)O)CCCCCC1(C)C 2292138469 RTPAUKQWFWTDMY-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC1(OCCN)CCC=CCC1 2292655244 JPXVFORFVXHNPE-UHFFFAOYSA-N 279.468 4.747 30 10 CJEE C=CCCCCC[C@](C)(OCCN)C1CCC(C)CC1 2292897938 ZMFRGRCWJBTLJH-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](CCC)(OCCCN)C(F)F 2294598582 VSSSTTYLLJRGQM-INIZCTEOSA-N 293.442 4.906 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC[C@@H](CC(C)C)C1 2294661644 GTFFGSGWILUQFF-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1ccc(C(F)(F)F)s1 2295007836 AXKUYPIEXCMDPZ-CQSZACIVSA-N 297.345 4.741 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SC(C)(C)CCO)C1 2295246030 XHZFRGPSYBHQMY-RBSFLKMASA-N 297.508 4.625 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](O)C[C@@H](C)S1 2298816701 JZVLRMUWGKTHDX-RBSFLKMASA-N 258.471 4.772 30 10 CJEE C[C@H]1CC[C@H](CSCC2(CS)CC(F)C2)CC1 2298955897 XHVLHDKFNFYKKL-HXZBBRIXSA-N 276.486 4.594 30 10 CJEE C=C[C@H](C)CCNCc1ccc(Cl)c(Cl)c1C 2301114497 BLHRVSIRLGUEFT-JTQLQIEISA-N 272.219 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(Br)c1C 2304034235 YCTWJFBQDPJVOL-HUUCEWRRSA-N 296.252 4.750 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1sccc1C 2304049261 OSBNXNPDHGJWEF-AWEZNQCLSA-N 251.439 4.700 30 10 CJEE C=CC[C@@H](C)SCc1csc(CNCC(C)C)c1 2313532807 ZFIMJDHCZBNJOR-CYBMUJFWSA-N 283.506 4.692 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCC1(F)F)NC 2313735616 CHYKJOJJBWANKQ-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CCCC[C@H](C[C@H]1CC[C@H]1C(C)(C)C)NCC 2320252470 HXFQLPOUDJLMTR-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1c(Cl)cccc1Cl 2321227077 BBROMCDTEBPYAG-LSDHHAIUSA-N 287.230 4.889 30 10 CJEE C=CCOc1ccc(Cl)cc1C=CC(=O)c1ccccc1 2322545883 ZITYWCBJVHJQCC-UHFFFAOYSA-N 298.769 4.801 30 10 CJEE C#CCCCCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2327873980 XEQCIXVJOVAASN-GFCCVEGCSA-N 284.230 4.756 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330168825 IXXHGRWCDVDGJZ-XQLPTFJDSA-N 274.395 4.779 30 10 CJEE C=CC[C@@H](C)Sc1ccc(F)cc1CN[C@H](C)CC 2335229133 IAVUACHGTVAITD-CHWSQXEVSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCCCC[C@H]1C(F)(F)F 2338701959 IXTQTOLFNAEOGR-KGLIPLIRSA-N 276.342 4.629 30 10 CJEE C=CCC(CC=C)[C@@H](NC)C1CCC(CCC)CC1 2338724554 IOXHUJWCICXMGD-VMWRSERWSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccccc1CC(C)C 2338743694 IAUPRGNGEFRWIE-SFHVURJKSA-N 257.421 4.653 30 10 CJEE CCCCCC#CC[C@@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2 2338788786 YUZUZYWIWCQABH-XLAORIBOSA-N 261.453 4.504 30 10 CJEE N#Cc1cc(Cl)cc(OCCCC2=CCCCC2)c1 2341104024 SYZJKUZCHOORJT-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE CCCCCCC[C@H](NC)c1cccnc1C(C)C 2342156326 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CC[C@H](C)c1ccccc1Oc1nc(C)ccc1C#N 43400307 ZDWPHXGMZAEETI-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1)c1cccs1 49546160 LAHGXQIJPFUOJZ-CQSZACIVSA-N 256.374 4.573 30 10 CJEE N#Cc1cccc([C@@H](C#N)Cc2cccc3ccccc23)c1 57739241 XJHHQCRNNXOYEW-LJQANCHMSA-N 282.346 4.561 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(CC)s1 59276861 IIXREFAGLSEXOW-CQSZACIVSA-N 253.455 4.932 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C(=O)OC)ccc1F 59427002 YBVCUSJUXMOQNG-ZDUSSCGKSA-N 295.398 4.773 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C 68585107 FODHBGBWZSQMIU-GVXVVHGQSA-N 296.336 4.814 30 10 CJEE C=CCCC[C@H](Cc1ccccc1Cl)NCCC 71276957 FCDYISPTTLOCJP-OAHLLOKOSA-N 265.828 4.607 30 10 CJEE C(#Cc1ccccc1)CSc1ccc2ccccc2c1 72262401 YXHNEGNXUCEEJX-UHFFFAOYSA-N 274.388 4.984 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)CC1 86954483 SKUYEIQLVDEVKS-HOTGVXAUSA-N 270.420 4.965 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2sccc2C)CC1 91881900 HBOBMXXZZWGXEV-OGVSOVDVSA-N 277.433 4.590 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1cccc(C)c1 94581303 HEJPJDGCTLQWQH-UHFFFAOYSA-N 293.520 4.943 30 10 CJEE Cc1ccc(OC[C@H](CS)C(C)C)c(C(C)(C)C)c1 94583452 UQVKNNVIQOHZBO-CQSZACIVSA-N 280.477 4.873 30 10 CJEE Cc1ccnc(SCCCCCCCCCS)n1 97800117 XIRHOKCMAFVYIR-UHFFFAOYSA-N 284.494 4.538 30 10 CJEE Cc1ccc(C)c(Nc2ccc(C#N)c(Cl)c2)c1 110252747 PFSPPMKOLKGIPT-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCn1cc(CCNC)c2ccccc21 112931303 ONMBMKJIMQJXNG-UHFFFAOYSA-N 286.463 4.764 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](NCC)C1(CC)CC 117340101 VFRMFPOPSYDWSU-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](CC)OCC 122225376 ZWESQRLBYYILMW-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(C)CCCO1 123598825 VADAJKJVHHPBJJ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](CSc1ccccc1)NN 126650036 KOUZAQMZNJMJNU-MRXNPFEDSA-N 294.508 4.751 30 10 CJEE CCCCCCCCCCN[C@@H](C)C1CCN(CC)CC1 129259977 HGGAMTXXNRKBCH-SFHVURJKSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCC[C@H](O)c1nccs1 131946987 RTIRGMZYZWPDBH-ZDUSSCGKSA-N 255.427 4.707 30 10 CJEE C=CCCCN(C)c1ccccc1[C@H](CC)NCCC 135983573 NRQYUKJVFHBWKU-KRWDZBQOSA-N 274.452 4.540 30 10 CJEE CCCC(C)(C)Nc1ccc(C(F)(F)F)c(C#N)c1 159119448 IAGFOJOJKAMGSD-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1OCC[C@H]1C 162309089 OALUTAIVYSMMNI-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE Cc1ccc(N/N=C/c2cn(C)c3ccccc23)cc1Cl 169879586 GMMHWIMDMVFVBJ-VXLYETTFSA-N 297.789 4.586 30 10 CJEE CC[Si](C#Cc1ccccc1Br)(CC)CC 195945152 BIYDSGXDEFQNIK-UHFFFAOYSA-N 295.296 4.848 30 10 CJEE C#C[C@@H](CCC)N[C@H](C)c1c(Cl)ccc(F)c1Cl 229930934 FOLDBSMBDITHMM-ZJUUUORDSA-N 288.193 4.585 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@@H](CC(C)C)C2)cc1 230779360 AUXJVPARHZLOGZ-WMZOPIPTSA-N 270.420 4.906 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)CCC[C@@H](C(C)C)C2)CC1 231020656 ZAFFMQOLGMRBMX-GPQLOAJWSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C)c(F)c1F 231744870 KAQMHSIKPXQDGZ-ZDUSSCGKSA-N 255.352 4.634 30 10 CJEE C=CCCCCC[C@H](N)C1CCC(C(C)C)CC1 232578750 ULZDSNSGANAVJN-JCYILVPMSA-N 251.458 4.913 30 10 CJEE CCCCCCCCCC[C@H](O)C1(O)CCCCCC1 232917326 KTQKMJVDPSQXLQ-KRWDZBQOSA-N 284.484 4.963 30 10 CJEE CCCCCCCCO[C@@H]1CCc2ccccc2NC1 232929246 VQMOMWWNFRSQOB-QGZVFWFLSA-N 275.436 4.790 30 10 CJEE C=CCCCCC[C@H](N)c1ccccc1C(F)(F)F 236303422 DXBRYVQRMJMNOM-AWEZNQCLSA-N 271.326 4.842 30 10 CJEE C[C@H](CCS)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251273442 YBGKUBUVHHTLKC-KNCOVGOOSA-N 270.482 4.564 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCCC[C@H]1C(F)(F)F 252992218 FJYPAAAIKBWETN-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCC[C@H]1CC 252993382 DFNZMTRSLDBKSI-IKGGRYGDSA-N 268.489 4.785 30 10 CJEE FC(F)(F)c1ccccc1N=Cc1cccs1 254398040 JBYFFBQHAGHVLY-UHFFFAOYSA-N 255.264 4.518 30 10 CJEE CC(C)(C#N)c1cc2cccc(C(F)(F)F)c2s1 260490458 VMACPHOMUDUBIU-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE N#CC[C@@H](c1cccc2[nH]c(C(F)(F)F)cc12)C1CC1 260511576 MLGAXGPGSCFWFR-SNVBAGLBSA-N 278.277 4.594 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3ccc(C)cc3s2)c1 308127095 BVNFHBBPHMQPBT-UHFFFAOYSA-N 279.368 4.528 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2cc(F)c(Cl)cc21 311724853 QACFFPYVCMOIEX-UHFFFAOYSA-N 298.814 4.720 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)CSc1ccccc1C 312227673 IQPBYDCJZTYVDP-INIZCTEOSA-N 289.488 4.505 30 10 CJEE CCC[C@H](Nc1ccc(C#N)cc1Cl)C1CCCC1 313394793 NMNGFEIJSOGALQ-HNNXBMFYSA-N 276.811 4.982 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CSC1CCCCC1 379902138 FEEKLUXYWZYVJR-INIZCTEOSA-N 295.536 4.860 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2C[C@@H](CC)CC[C@@H]2C)C1 380366534 PPWHOJVFDSVBOE-QXDIGNSFSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cn(CC)cn1 380854057 DIKVGSXILNXQRV-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE Cc1ccc(N[C@@](C)(C#N)[C@@H]2CC3CCC2CC3)cc1 381564331 WZAFEXVZIANWHG-UQVLAFNGSA-N 268.404 4.516 30 10 CJEE C=C(COCC)[C@H](NCCC)C1(CC(C)C)CCCC1 387570654 MWEKGMQCZMIVLA-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE CC(C)(C)C#CCNc1c(Cl)cccc1C(F)(F)F 388864947 GNVLEFKDWZVCLD-UHFFFAOYSA-N 289.728 4.820 30 10 CJEE CCCC(CS)(CCC)COCC(C)(C)CSC 395959893 IPYYNZSECLALQX-UHFFFAOYSA-N 292.554 4.909 30 10 CJEE Cc1ccccc1SC[C@H](C#N)C1CCCCC1 397137414 BITGLGWOGIIXOP-HNNXBMFYSA-N 259.418 4.807 30 10 CJEE CC[C@@H](NC[C@H](C#N)C1CCCCC1)c1cccs1 397142669 KUJMSKGPYJLIRK-LSDHHAIUSA-N 276.449 4.509 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H](C)C2CCC2)CC1 398644923 YZMHVPFYTHKIIC-HPUBIQBYSA-N 250.426 4.844 30 10 CJEE C[C@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 399157463 JLRBSKUIKDENIP-SKDRFNHKSA-N 298.213 4.852 30 10 CJEE N#Cc1ccc(-c2c(Cl)cccc2Cl)nc1Cl 400786716 JNGAZWKZAPYGKU-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=C[C@@H](C)ON[C@H](CC)c1ccc(Cl)c(Cl)c1 400930038 NNUOPFCNRYJOIK-NOZJJQNGSA-N 274.191 4.540 30 10 CJEE N#Cc1cc(C(F)F)cc(C(F)(F)F)c1C(F)(F)F 575341352 UWKQACBRRVCOQY-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC 686693682 QCZXFQAOYDBYIK-KZNAEPCWSA-N 277.496 4.868 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H](CC)CC(C)C 686696331 ZRJIDXZYYFPVNL-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C#CCCCCCC(=O)c1cc2cc(F)ccc2s1 686708498 HFYIUHYAQAYCDB-UHFFFAOYSA-N 274.360 4.807 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccsc2Cl)C1 688002898 ISVLEUHTJJZMFD-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CCc1ccc(N=C2N[C@H](CC)[C@@H](CC)S2)cc1Cl 691292453 MLGHJUMRIBCYFK-ZIAGYGMSSA-N 296.867 4.784 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)c(F)c1 692220649 MMXCYRRKANUSPM-DAYGRLMNSA-N 275.411 4.920 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)oc1C 692274701 DSQCEOKQHFDRIZ-UNEWFSDZSA-N 261.409 4.682 30 10 CJEE CCC[C@@H]1CN/C(=N/CC2CC(C)(C)CC(C)(C)C2)S1 699564578 DCDLXLCTJHZYFH-CQSZACIVSA-N 296.524 4.700 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc2ccncc12 702846602 VMUAQOLCGWXJGG-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCC[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 703253151 AQKAELKEAKJPEE-AWEZNQCLSA-N 290.838 4.614 30 10 CJEE CCSc1cccc(NCC[C@H]2CC=CCC2)c1C#N 706924562 YEFPZRZBWZCIRW-AWEZNQCLSA-N 286.444 4.829 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 709121455 DIFOAKNWUNBNRM-MFKMUULPSA-N 298.213 4.852 30 10 CJEE C=CC[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553938 QDZVIYDKDNLHFZ-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE CC[C@@H](/N=C1/NC2(CCCCCC2)CS1)C1CCCC1 713276691 RSBKDFOJMJDEOB-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714430545 RRDBRACXHYWJKF-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCCc2ccccc21 715746743 DWQJQFPRJBCPBY-IPELMVKDSA-N 271.448 4.687 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C)co1 716156030 YHFZAZNCMPXIQZ-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)sc1Cl 717916913 QPIQXAXTLYNKKC-UHFFFAOYSA-N 278.248 4.889 30 10 CJEE CCCCCCCCC[C@@H](O)C1(C)CC(F)(F)C1 720486187 YRIULICZJUFEMR-CYBMUJFWSA-N 262.384 4.923 30 10 CJEE C=C1CCC(C[C@@H](CCc2ccccc2C)NC)CC1 724619748 WZKQTPILYORJMD-LJQANCHMSA-N 271.448 4.652 30 10 CJEE C=CCCC[C@@H](C)N1CC=C(c2ccc(Cl)nc2)CC1 774774374 HHCNQWAHPIVKHV-CQSZACIVSA-N 290.838 4.569 30 10 CJEE C#CCCCCCC(=O)N(C)c1c(Cl)cccc1Cl 779994693 SPLJAEFQHMDMRB-UHFFFAOYSA-N 298.213 4.540 30 10 CJEE C=CC[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccncc1 783243800 CCEPIERAIWXDBS-AABGKKOBSA-N 292.426 4.625 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@]1(C)CC=C(C)CC1 1126141519 MGAWDDJSVMGOGW-IBGZPJMESA-N 289.463 4.718 30 10 CJEE C=CCC1(C(=O)N[C@H]2CC(C)(C)c3ccccc32)CCCC1 1127004034 LEASSFLZDAHSCC-KRWDZBQOSA-N 297.442 4.662 30 10 CJEE C=CCCCN1CCc2ccccc2[C@H]1c1ccccc1 1194655330 ITPWCFGFZQXFEH-HXUWFJFHSA-N 277.411 4.600 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(OC(F)F)c1 1196057219 PLHRBACKOGYUHJ-GDBMZVCRSA-N 295.373 4.513 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@@H]2C(C)C)c(Cl)c1 1207703493 DJUYWGKNFMYCCA-HIFRSBDPSA-N 261.796 4.558 30 10 CJEE C=CC(C)(C)CC(=O)N(CC(C)C)c1ccccc1Cl 1276257115 VMJXWPROWGKPHX-UHFFFAOYSA-N 293.838 4.931 30 10 CJEE C=C[C@@H](OC(=O)/C(C)=C/c1ccc(F)cc1)c1ccccc1 1279069361 IJAATYWBMFMDHD-KAUXGEHWSA-N 296.341 4.700 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC[C@@H]2CC=CCC2)c1 1311297857 GWTBTIGPQOQMJL-OAHLLOKOSA-N 284.403 4.588 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)oc1C 1353118151 RTSWFEWRWNGYKH-UHFFFAOYSA-N 297.398 4.540 30 10 CJEE C=C1CCC(C(=O)NC2CCC(C(C)(C)CC)CC2)CC1 1355108559 BEBVMCLVSIYYPR-UHFFFAOYSA-N 291.479 4.844 30 10 CJEE C=CCC(CC=C)C(=O)N(CC)C[C@H](CC)c1ccccc1 1435962709 XUBYHRMKIUKMMH-KRWDZBQOSA-N 299.458 4.797 30 10 CJEE C=CCCCCCN[C@H](c1ccc(F)cc1)C(F)(F)F 1460061817 WPKXPSPOSVKLQM-CQSZACIVSA-N 289.316 4.765 30 10 CJEE C=CCC1(C(=O)N2CCC(C)(C3CC3)CC2)CCCCC1 1460585407 BEFOHUVWXBPAHR-UHFFFAOYSA-N 289.463 4.552 30 10 CJEE C=CCCC[C@H](NCc1ccoc1C)c1ccccc1 1461722787 UMOOZEPBUDWNCK-SFHVURJKSA-N 269.388 4.775 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 1462581282 XNWGYHHCXQGLPU-JFIYKMOQSA-N 297.442 4.767 30 10 CJEE C=C(C)c1cccc(N[C@H](C)Cc2cccc(F)c2)c1 1462642303 FBJKPJNVFJTLOY-CQSZACIVSA-N 269.363 4.902 30 10 CJEE C#Cc1ccc(N[C@H](C)Cc2ccc3c(c2)CCCC3)cc1 1462645577 TZIXNXHLXHSTSF-MRXNPFEDSA-N 289.422 4.590 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2cc3ccccc3o2)C1 1474445896 MLOUUSRUMATGTI-SQWLQELKSA-N 269.388 4.828 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc(C(C)C)cc2)CC1 1475824448 ISVFNXKAVCYYQN-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(Cl)c(F)c1 1475972803 VLFDCTUSWDGKQO-UHFFFAOYSA-N 298.789 4.737 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@H]1CCCC[C@H]1C 1477696287 MILLCQCLOKDBBZ-IAGOWNOFSA-N 294.483 4.639 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](C)c1oc2ccccc2c1C 1525523320 SGJGOBYGRSFYHB-ZDUSSCGKSA-N 285.387 4.521 30 10 CJEE C=CC(C)(C)CC(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 1532203795 MOZAAJXFCKPQOR-DOTOQJQBSA-N 285.431 4.589 30 10 CJEE CCCCCCCCCCN1CCC(C)(F)CC1 1560039584 GVMQJFMMPFBEJU-UHFFFAOYSA-N 257.437 4.951 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 1560461280 HLEYBPCFOQWNQY-JZGRTCEGSA-N 287.422 4.796 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(C)cccc2Cl)c1 1585977392 HCFLVQPMRXNGQQ-UHFFFAOYSA-N 285.774 4.934 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](C)CCCCCC)c(Cl)c1 1627142028 GYPJQYMCSGWQBI-CYBMUJFWSA-N 291.822 4.866 30 10 CJEE C=C(CC(C)C)C(=O)N1[C@H](C)C[C@H](c2ccccc2)C1(C)C 1633095261 SICSNEBBWHBXJY-SJLPKXTDSA-N 299.458 4.772 30 10 CJEE C[C@H](CSCc1cccc(C#N)c1)c1ccccc1 1641108762 HBJYSBSSAAPFMC-CQSZACIVSA-N 267.397 4.595 30 10 CJEE C=C[C@H]1CCCCN1Cc1nc(C2CCCCC2)cs1 1645463581 LLXPMOKIAHPSLZ-HNNXBMFYSA-N 290.476 4.731 30 10 CJEE C#CCOc1ccc(CNC2CCC(CC)(CC)CC2)cc1 1651025827 RBPALKSDQLPGQI-UHFFFAOYSA-N 299.458 4.537 30 10 CJEE C#CCCCCCCN(C)[C@H](C)c1cc(F)ccc1F 1652299477 PRIIKRAMFADCNB-CQSZACIVSA-N 279.374 4.541 30 10 CJEE C#Cc1ccc(CN[C@@H](CC(C)C)c2ccccc2)cc1 1655198593 ITXPDHAWXJTFDC-FQEVSTJZSA-N 277.411 4.545 30 10 CJEE CCCCCCCCCNCc1cccc2nsnc12 1655209670 XJLIUZIQFBQOMN-UHFFFAOYSA-N 291.464 4.532 30 10 CJEE C=C(C)c1cccc(Nc2ccc([N+](=O)[O-])c(OCC)c2)c1 1655930194 SXNRWANFZHWTHN-UHFFFAOYSA-N 298.342 4.770 30 10 CJEE C#Cc1ccc(NCC(C)(C)c2ccccc2)c(Cl)c1 1658090509 ZFVSPLNTIGSXND-UHFFFAOYSA-N 283.802 4.711 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@@H]1CCCCCC)C(C)(C)C 1658233274 KLVDNRKPTGGMPT-ULQDDVLXSA-N 263.469 4.763 30 10 CJEE C=CCCC[C@@H](N[C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1 1658805463 DGICLSUDIQCQLC-OKYOBFRVSA-N 269.432 4.862 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCSC2(CCC2)C1 1665819604 GOOOEJDCGDZPRG-CVEARBPZSA-N 281.509 4.919 30 10 CJEE C#Cc1cccc(NC(=O)NCCCCCCCCC=C)c1 1672561192 PIXMOSNXFUNRHP-UHFFFAOYSA-N 298.430 4.706 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C2CC(c3ccccc3)C2)C1 1875851938 GEMYJIXSYQAGPO-LTDKPHRXSA-N 253.389 4.900 30 10 CJEE CC#CCCCC[C@H](NC)C1CCC(CCC)CC1 1885236942 OHVMWNALVJNVMX-ABHNRTSZSA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@H](NC)[C@@H]1CCC[C@@H](CC)CC1 1885237452 PKNHPWFSJSUMFM-KURKYZTESA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@]1(O)CCC[C@H](C(C)(C)C)CC1 1885238261 TVNAQLAXKUOIPM-WMZOPIPTSA-N 264.453 4.928 30 10 CJEE C=CCCCC[C@@]1(O)CCCC[C@@H]1OCc1ccccc1 1885319788 CTWBCUXLGRGVQY-RBUKOAKNSA-N 288.431 4.623 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(C)cc1Cl 1887474041 DFKCINZNMLQBOO-SUMWQHHRSA-N 277.839 4.739 30 10 CJEE CC1(C)OB(C=C2CCC[C@@H]3CCCC[C@@H]23)OC1(C)C 1900290086 JOBWMRGCOBKKJC-DZGCQCFKSA-N 276.229 4.535 30 10 CJEE C=CC[C@H](C)OC[C@@H](NCCC)c1ccc(F)cc1Cl 1913347173 VZCMSFLAMAROHJ-BLLLJJGKSA-N 299.817 4.501 30 10 CJEE CCC1(CC)CCN1CC1(CS)CCCCCC1 1915058944 XILSFYBPYDTEKW-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCC2(CCCC2)C1 1916481248 CZUDNGHWFQXPCR-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=C[C@@H]1CCCCN1c1nc(Cl)c(Cl)cc1Cl 1916784974 AMKATVJDGOHWSC-MRVPVSSYSA-N 291.609 4.587 30 10 CJEE C=CCCCCCCn1c(=S)[nH]c2cc(C)ncc21 1918385281 IYUQFMZGCXKZBL-UHFFFAOYSA-N 275.421 4.539 30 10 CJEE C=CCOc1ccccc1[C@H](O)CCC(C)(C)CC 1920055241 LSVZSQMFDXRMOD-OAHLLOKOSA-N 262.393 4.501 30 10 CJEE C=C(COCc1ccccc1)[C@@H](C[C@H](C)CC)NCCC 1922069210 OYGVHIBUNWPYGC-VQIMIIECSA-N 289.463 4.564 30 10 CJEE C=C1CCC(CNCc2cc(Cl)c(Cl)s2)CC1 1949283173 TXIRKRGQNJGXTB-UHFFFAOYSA-N 290.259 4.891 30 10 CJEE CC[C@@](C#N)(Cc1snc(Cl)c1Cl)C(C)C 1986411987 PNFUWEPQHRHKMI-NSHDSACASA-N 277.220 4.568 30 10 CJEE C#CC[C@@H](C)CNc1cc(Cl)c(Cl)c(Cl)c1 1991349524 RVFVJSMYVNEXSP-MRVPVSSYSA-N 276.594 4.718 30 10 CJEE CCCCC#CCC(=O)c1scc(C)c1Br 1994217131 QWTWECSTRUCXMK-UHFFFAOYSA-N 299.233 4.585 30 10 CJEE C=CCC[C@H](C)[C@](O)(CC)c1cccc(Cl)c1 1996461573 UERMMSUISNJWTR-SWLSCSKDSA-N 252.785 4.540 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(C)c1Br 1996467907 AOKZLQZVRAJLMJ-IUODEOHRSA-N 296.252 4.620 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(C(C)(C)C)s1 2000354484 BDVAYCRXQRQPPP-LBPRGKRZSA-N 251.439 4.662 30 10 CJEE C=CCCCC[C@@H](O)c1ccsc1C(F)(F)F 2009528223 GAPZMMWQJFGPET-SNVBAGLBSA-N 264.312 4.547 30 10 CJEE CC#CCCCC[C@@H](N)c1cccc(Cl)c1Cl 2019504082 WMCQVHNOUWGGTH-CYBMUJFWSA-N 270.203 4.577 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)c1cc(Cl)c(Cl)s1 2020079300 SDFHZGANEGHOCN-MWLCHTKSSA-N 290.259 4.755 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1cc(C)c(Br)cc1C 2022977874 FZWRWBSTUQEDLF-BONVTDFDSA-N 296.252 4.539 30 10 CJEE C=CCCCCCCCCN[C@@H](C)CCSC 2026309921 KCVUGCHAKLQJNJ-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](C)CSC 2026313954 QSJCVWKYDIHOCC-CQSZACIVSA-N 256.455 4.861 30 10 CJEE CCCCCCCCOc1ccc(CO)c(Cl)c1 2026896102 CQOOXCBRUDTKOX-UHFFFAOYSA-N 270.800 4.572 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC(F)(F)C2)c(Cl)c1 2030364476 BECWVYBLTZYQAN-ZDUSSCGKSA-N 269.722 4.520 30 10 CJEE CCCCCCCCC[C@H](O)CCOCCCC 2033732746 LFARTEPCBXLSIM-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1cc(Cl)sc1C 2036882644 ITGGBEHVPHLJJC-GFCCVEGCSA-N 288.840 4.614 30 10 CJEE CCCCCCCC[C@@]1(F)CNC2(CCCC2)C1 2037749904 UYXDZXWJDJVIST-HNNXBMFYSA-N 255.421 4.751 30 10 CJEE Cc1nc([C@@]2(C#N)CCCC(C)(C)CC2)sc1C 2039383229 GLEGZRKNLADTRJ-HNNXBMFYSA-N 262.422 4.512 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1cscc1C(F)(F)F 2040518093 CLPPVKAUYDRPNM-SKDRFNHKSA-N 277.355 4.630 30 10 CJEE C=CCC[C@@H](C)[C@@](O)(CC)C1CCC(C)(C)CC1 2040639496 VIRRLTDFIAVOKB-PBHICJAKSA-N 252.442 4.946 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCS[C@@H](C)C1 2041712320 NZUKHOKKFUXQGW-JYJNAYRXSA-N 271.514 4.857 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(F)c(Cl)c1F 2045754934 JAIBAYLCRZFGQH-LBPRGKRZSA-N 273.754 4.625 30 10 CJEE CO[C@@H](C)CCC1(C#N)CC(C)(C)CC(C)(C)C1 2046856996 FCPAVWRYKJLGJT-ZDUSSCGKSA-N 251.414 4.548 30 10 CJEE CCCCCCCC[C@@H]1CC[C@H]2CCCN[C@H]2C1 2048096653 VQPWSCLDFGQJCL-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C=CC1(CC(=O)c2cc(F)c(Cl)cc2F)CCC1 2049013186 MOJKTMYESPXUCU-UHFFFAOYSA-N 270.706 4.547 30 10 CJEE C=C(C(C)(C)C)[C@](C)(O)C1CCC(CCC)CC1 2049421686 KLJLHKKNXDVFEO-DQPZFDDXSA-N 252.442 4.946 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cc2)CCCCC12CC2 2053372636 XSAHZZSSTHHVSF-MRXNPFEDSA-N 259.780 4.747 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C=O)CCCC(F)(F)C1 2065216937 IBFBGIHWDXDSFC-TZMCWYRMSA-N 260.368 4.843 30 10 CJEE CC(C)CC[C@H](C)[C@@H](C#N)c1cc(F)ccc1F 2065845129 PTRSVGKVVUSTNP-SMDDNHRTSA-N 251.320 4.644 30 10 CJEE CCCCCCCCNCc1csc(C(F)F)n1 2068436119 AGIZMZPWDVBGJU-UHFFFAOYSA-N 276.396 4.531 30 10 CJEE CCCCCCC[C@H](NC)c1csc(CCC)n1 2068534602 XEBBDVSIDWSDIN-ZDUSSCGKSA-N 268.470 4.717 30 10 CJEE C#Cc1cc(C2CCCC2)nn1Cc1cccc(C)c1Cl 2070176572 LCFGGTOCJHCZFH-UHFFFAOYSA-N 298.817 4.532 30 10 CJEE C=C([C@H](NC)[C@H]1CC[C@H](CCC)CC1)C(C)(C)C 2072682475 VKOKSBGOIMFTAA-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@]1(F)CCNC2(CCCC2)C1 2074143096 YGGFHYHJFNKLJU-OAHLLOKOSA-N 255.421 4.751 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@H]2CCCC[C@H]21 2074913617 ITAJKSFFUOZTAL-BRWVUGGUSA-N 251.458 4.857 30 10 CJEE CCCCCCC[C@H](O)c1cc(OC)ccc1Cl 2082798220 BLPMDFWWIXRLSC-HNNXBMFYSA-N 270.800 4.743 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@H](CC)CCCC 2083407824 JMDGENNSJRLIOM-IAGOWNOFSA-N 251.458 4.765 30 10 CJEE CCCCC#CC[C@@](C)(CCC)CNC(C)(C)C 2083429494 ASCRTHRHXCGKCR-QGZVFWFLSA-N 251.458 4.765 30 10 CJEE CCCCCC#CCN(C)CCCCCCCC 2083469035 JBZAAZWRTBYJNC-UHFFFAOYSA-N 251.458 4.862 30 10 CJEE C=CCCCCCC[C@@H](O)Cc1ccc(Cl)cc1 2085842921 WTNNZXWNMPSHQM-MRXNPFEDSA-N 266.812 4.770 30 10 CJEE C=CCCCCCC[C@H](O)C12CCC(CC1)CC2 2085853325 AZNSQTCJCNCTNI-CGZBRXJRSA-N 250.426 4.844 30 10 CJEE C#CC(C)(C)C[C@@H](CC[C@H](C)CCCC)NCC 2085917270 ZLVXFWZJJDHGNH-HZPDHXFCSA-N 251.458 4.621 30 10 CJEE CCCCCC#CC[C@H](O)CC[C@@H](C)CCCC 2086059869 KBYHXXLZJJLPTG-IRXDYDNUSA-N 252.442 4.928 30 10 CJEE C=CCCCCCCCCC[C@](C)(N)C1CSC1 2086280213 CJBXMBONOYLNQS-INIZCTEOSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCCCNCCP(C)(C)=O 2086282644 LHZLPNWKWNIPTE-UHFFFAOYSA-N 273.401 4.506 30 10 CJEE CCCCCCC[C@H](N)c1ccc([Si](C)(C)C)cc1 2087489709 ZCPJXBAXZNGAAD-KRWDZBQOSA-N 277.528 4.592 30 10 CJEE CC(C)(C)C1CCC([C@@]2(C#N)CCCOCC2)CC1 2089038013 AIKANNBFUJJFIO-DQPZFDDXSA-N 263.425 4.549 30 10 CJEE CCCCCCC[C@@H](O)[C@H](CC(CC)CC)NCC 2091315769 LWOGVNOKIJGQMD-DLBZAZTESA-N 271.489 4.512 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CCCCCC)NCC 2092175553 BKQGFTIBMHTYKI-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)C[C@@H](C)CC 2093450073 INQAHHYZIYCGFX-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE COCC1(C[C@]2(C#N)CCCC[C@@H]2C)CCCCC1 2094238622 SWCHQAOUQQCHHM-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE CCCCCCCC[C@@H](N)C(C)(C)[C@H]1CCCCO1 2098340490 WCCVPTNNJXEYJN-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc(Cl)cs2)CC1 2100881230 TXPDKQBUAVPKGL-ZFWWWQNUSA-N 297.851 4.935 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H](C)C(F)F)NN 2101540018 XLDZWUYTCKBOIC-KBPBESRZSA-N 278.431 4.640 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 2102476718 HNXAFYDRGKOGCI-XDNAFOTISA-N 263.469 4.641 30 10 CJEE CCCCCCCCCCN=c1cc[nH]cc1CC 2107572368 IUVRAOOMNDMCBN-UHFFFAOYSA-N 262.441 4.619 30 10 CJEE C=C([C@H](NC)[C@H](c1ccccc1)C(C)C)C(C)(C)C 2107904940 UKQZEJFBZRQTBS-IRXDYDNUSA-N 259.437 4.617 30 10 CJEE CC#CC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2107948846 LKFJITVTPMCGQU-CQSZACIVSA-N 289.469 4.931 30 10 CJEE CCCC[C@](CC)(CC#CC(C)(C)C)CNC1CC1 2108188654 FSDOORQFOMGWHJ-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CCCC[C@@](C=O)(CC)C[C@H]1CCCC2(CCC2)O1 2108194461 XEUZVVDFKWONEA-CVEARBPZSA-N 266.425 4.654 30 10 CJEE CCCC[C@](C#N)(CC)[C@@](C)(O)CC1CCCCC1 2108216719 UVPGKHQFKVECNR-IRXDYDNUSA-N 265.441 4.818 30 10 CJEE C=CCC[C@H](C)[C@@H](C[C@H](C(F)F)C(C)(C)C)NCC 2111419479 VUKZBSRCELGFTK-BFHYXJOUSA-N 275.427 4.884 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2CCCCCC2(F)F)CCC1 2111711683 QBRFKBIYNKRKHY-UONOGXRCSA-N 271.395 4.536 30 10 CJEE C=CC1(C[C@H](NCC)c2cccc(C)c2C)CCC1 2111721661 VLVVARUYDOJDPS-KRWDZBQOSA-N 257.421 4.700 30 10 CJEE C=CC1(C[C@H](O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CCC1 2111721746 VSSHVDPUBXPUKD-TWMKSMIVSA-N 262.437 4.700 30 10 CJEE CCC1CCC([C@@H](C#N)Nc2ccc(C)cc2)CC1 2112044197 UYODWWCRPXEVIO-VMBOVVBDSA-N 256.393 4.516 30 10 CJEE CC#CCC[C@]1(CNC(C)(C)C)CCCC(C)(C)C1 2112217141 JOMDENVLVOSBQC-SFHVURJKSA-N 263.469 4.765 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1)[C@H]1CCCC(C)(C)C1 2112270371 ZCVIDWVXSAFYMF-HIFRSBDPSA-N 256.393 4.575 30 10 CJEE C=CC[C@@H](CC)NCc1csc(C2CCCCC2)n1 2113536591 WYMKVTSEPBFWSH-CQSZACIVSA-N 278.465 4.635 30 10 CJEE SCC1(CN2CCC[C@@H]2c2ccsc2)CCCCC1 2113689947 QJUALOLQDRKWRN-OAHLLOKOSA-N 295.517 4.765 30 10 CJEE CCCCCCCCCN(CCC#N)CC(C)(C)C 2114337772 HSKURFHTKZYXAE-UHFFFAOYSA-N 266.473 4.999 30 10 CJEE C#CCCCC[C@@H](NC)C1CC(C)(C)CC(C)(C)C1 2116868200 NETANGUVMOCILG-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2CC(C3CCC3)C2)C1 2120315388 MPOKLKKERYESLT-VSVYTNTFSA-N 262.437 4.988 30 10 CJEE CC[C@H](Nc1cc(Cl)c(C#N)cc1F)c1cccs1 2120888699 JKLGRJBXWXYMQW-LBPRGKRZSA-N 294.782 4.975 30 10 CJEE C=CCCCC[C@@H](NCCC)c1ccc(F)c(F)c1 2123081387 WGRHXKXSDUIUMB-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@H](C)C(F)(F)F 2123193679 GNNYDEDLUDPWBE-LBPRGKRZSA-N 299.446 4.633 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2CCC3(CC3)C2)CC1 2125180415 KLMYXZBHFOBEDX-HUUCEWRRSA-N 260.421 4.908 30 10 CJEE COc1ccc(Cl)cc1C(=O)C1=CCC(C)(C)CC1 2125184526 CNJCVPYCRSMXIG-UHFFFAOYSA-N 278.779 4.668 30 10 CJEE C=CC[C@@H](NCCC)c1cc(C)ccc1C(F)(F)F 2128006879 PAWCFULTGDQLGI-CQSZACIVSA-N 271.326 4.631 30 10 CJEE C[C@H]1C[C@@H](Nc2cc(Cl)c(F)cc2C#N)CC[C@H]1C 2128014278 UVLDJRXCEVSUAX-SCVCMEIPSA-N 280.774 4.587 30 10 CJEE CC(C)c1ncc(C[C@@]2(C#N)CCCC(F)(F)C2)s1 2128447051 NIGJYUOTMNCCRP-ZDUSSCGKSA-N 284.375 4.528 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]1C(F)(F)F)NCC 2128828416 HTLFTCBKAPTIMQ-MGPQQGTHSA-N 279.390 4.914 30 10 CJEE CCCCCCC[C@H](CC[C@H](C)COC)NCCC 2130969471 VHXDZFWRFAUKSQ-DLBZAZTESA-N 271.489 4.778 30 10 CJEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)[C@H]1CCC1(C)C 2132088728 OSEMJZMUCZNDMC-MWLCHTKSSA-N 280.774 4.587 30 10 CJEE C[C@H]1[C@H](C)CCC[C@H]1N(C)CC1(CS)CCCCC1 2136435097 KPUTWGBYFYCNFU-OWCLPIDISA-N 283.525 4.623 30 10 CJEE C=CCCCC[C@H](NCCC)[C@]12CCC[C@H]1CSC2 2137220515 DBDIABROXNCXEK-ULQDDVLXSA-N 281.509 4.634 30 10 CJEE C=CC[C@H]1CCCCN(C[C@H]2CCCC(C)(C)C2)C1 2138411507 CAVVTDIKVHTSDV-IRXDYDNUSA-N 263.469 4.881 30 10 CJEE O=C[C@]1(C(F)(F)F)C[C@@]12CCCCC21CCCCC1 2138799453 ICYUELBMUWUWDF-ZIAGYGMSSA-N 274.326 4.649 30 10 CJEE CCCCCC#CC[C@](C)(O)C1CCC(F)(F)CC1 2138911371 AHCGRLKKIDSFML-HNNXBMFYSA-N 272.379 4.537 30 10 CJEE CCCC#CC[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2138957467 WRJBIOOLIYZEGY-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE C#C[C@H](N[C@H]1CCCC(C)(C)CC1)C1CCCCC1 2138970964 YXKMQHFVBOIBMA-IRXDYDNUSA-N 261.453 4.517 30 10 CJEE C#C[C@@H](N[C@H]1CCC[C@H](CC)CC1)C1CCCCC1 2138973650 ICZBFBJOCCBYMK-RYQLBKOJSA-N 261.453 4.517 30 10 CJEE C=CCCCCCCOc1ccc2c(c1)C[C@@H](C)O2 2141908924 PXDYKCODSDDYKW-CQSZACIVSA-N 260.377 4.525 30 10 CJEE C=CCCCCCCSc1nc(N)c2ccsc2n1 2141922947 RTQYIVPINKNHBC-UHFFFAOYSA-N 293.461 4.502 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)CCC=C 2142398774 XSRGNWCSVROKCN-QGZVFWFLSA-N 266.425 4.580 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCCC[C@H]1N 2142427800 MHRDLGDCFXZFNK-SJORKVTESA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccc(C)nc1 2142435610 QHXYQHZPPYPDLR-QGZVFWFLSA-N 261.409 4.730 30 10 CJEE C=CCCCCCCCCC=C1CCNCC12CC2 2142443528 JCAUMPMXDJGRBK-UHFFFAOYSA-N 261.453 4.993 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C[C@@H]1CCCO1 2142451654 YYUGATLANNSVLQ-SJORKVTESA-N 268.441 4.613 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H](C)CCC)NC 2142460212 CDIJOQLWIHKTJI-BBWFWOEESA-N 271.489 4.512 30 10 CJEE CC[C@@H](N=C1N[C@H](C2CCCC2)CCS1)C1CCCC1 2143553784 OYZWCKPEDMEWRS-CVEARBPZSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@]1(C)N[C@](C)(c2ccccc2)CO1 2144507177 KVLJENNCVBTZNS-ZWKOTPCHSA-N 275.436 4.598 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NC)C(C)(CC)CC 2147771563 ABQFWWCFHDNLOM-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1sccc1C 2148592229 RSJHILKMOBSFRC-HZPDHXFCSA-N 297.508 4.819 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@](C)(O)C(C)(C)C 2148602212 QPFJYVRKPUXUFI-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](O)(CCC)C1CCC1 2148603715 VVRDDVPOSHRBHG-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@](C)(O)C1(C)CC1 2148622125 WLXSEMIZJDXDPY-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCNC[C@@H]1CC[C@@H](C)C[C@H]1CC#CC1CCCCC1 2149863352 ABCRHIZEVLQJFV-QRQLOZEOSA-N 275.480 4.622 30 10 CJEE CCCCCCCC[C@H](NCCC)C1(O)CC(CC)C1 2152398730 HHOWBVRWKCBPJC-ADKAHSJRSA-N 283.500 4.656 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc2c(c1)CCCC2 2152836520 WLDXFRSSVOTMGR-UHFFFAOYSA-N 268.400 4.568 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCNC2(CC2)C1 2155032544 KDOFKLJECJGAHV-INIZCTEOSA-N 279.468 4.619 30 10 CJEE CSc1cccc(NCCC2CC3(CCC3)C2)c1C#N 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CCCCCCCC[C@](C)(O)[C@@H](N)CCCC1(C)CC1 2240640922 VSLABVZGIQUTAJ-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE C=CC[C@H]1CCCCN(Cc2cccc3ccoc23)C1 2241178150 PBELDXLWURQISC-HNNXBMFYSA-N 269.388 4.611 30 10 CJEE CC(C)(C)CCCOc1c(Br)cccc1C#N 2248970319 RJCZNYLAFKLQQK-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE SCCCCCCCCCO[C@H]1C=CCCC1 2249287298 SOKWSPYGRVWUER-HNNXBMFYSA-N 256.455 4.772 30 10 CJEE C=CCCCSc1cccc(F)c1C(F)(F)F 2250058395 BOTLVZHNKWAHAH-UHFFFAOYSA-N 264.287 4.903 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(CC)s1 2250148783 AGBISABYTQOAJD-HNNXBMFYSA-N 251.439 4.621 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@H](C)CS1 2252953531 RUNOOJYEHVOCMR-GJZGRUSLSA-N 257.487 4.816 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCC[C@@H]2C[C@@H]2C)C1 2254587844 RIPQYIJCCMYZGG-YLFCFFPRSA-N 250.426 4.988 30 10 CJEE C=C(CC)C[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2255398607 XZWXYWYITSMKAF-ZDUSSCGKSA-N 288.218 4.619 30 10 CJEE C[C@@H]1CC[C@@H](CSc2cc(Cl)c(F)cc2C#N)C1 2256676700 YWSUANZKPRYUIY-NXEZZACHSA-N 283.799 4.879 30 10 CJEE C=C(C)CCCC[C@@]1(N)CCC[C@@H](C(F)(F)F)C1 2259188983 YLRPWWWQYCBFBM-CHWSQXEVSA-N 263.347 4.573 30 10 CJEE C=CCCCCC[C@H](N)C1CC(CC(C)(C)C)C1 2261208751 SXRIFEDQCVHQHS-GPANFISMSA-N 251.458 4.913 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccsc1Cl 2262604098 PSTJICMKLLHJEE-ZDUSSCGKSA-N 287.856 4.554 30 10 CJEE CCCCCCCCC[C@@H](C)n1ncc(Cl)c1N 2263639616 NDCFZIQZSCGAKR-GFCCVEGCSA-N 271.836 4.820 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1C[C@H]1CF 2263661118 LWZKBYFNGYKBAL-JYJNAYRXSA-N 258.421 4.874 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@]1(N)C(F)(F)F 2263669877 KWXDBPGXGHCANJ-OLZOCXBDSA-N 265.363 4.797 30 10 CJEE N#C[C@@]1(CC2=CCCCC2)CCc2ccccc2C1 2266470713 RJOAIVXIIUKZHF-GOSISDBHSA-N 251.373 4.576 30 10 CJEE CCC[C@H](CC(C)C)[C@H](N)CC=CC#CC(C)(C)C 2268817854 XEYPLZZOADQUNL-IAGOWNOFSA-N 263.469 4.772 30 10 CJEE CCC1(C)CCC(NCC=CC#CC(C)(C)C)CC1 2268822272 IAUJDSCVKQTPLM-UHFFFAOYSA-N 261.453 4.541 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc(F)c1C 2271790233 CWLHWZFJEMOXNS-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=C(C)CCCC[C@]1(C#N)CCc2ccccc2C1 2271833540 QZOMOCBSKGRQRN-SFHVURJKSA-N 253.389 4.822 30 10 CJEE CCCCCCC[C@H](N)c1cccc(CC2CC2)c1 2273850802 QPWVIXZLYDKFSR-SFHVURJKSA-N 259.437 4.999 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1sccc1C 2273999681 MXGCFEYZVZUHMV-INIZCTEOSA-N 275.461 4.681 30 10 CJEE C=CCCCCCCCCC[C@@H](C)OCCC(=O)O 2275255905 ZXCPTPCAKRELIF-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@@H](OCCN)c1sc(C)cc1C 2276030261 JEBDDSIWCUCCQR-OAHLLOKOSA-N 283.481 4.742 30 10 CJEE CCCCCCCCC[C@H](OCCCN)[C@@H](C)CC 2276573233 SOFBYBLBHRJZLV-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC[C@H]1CC 2277226502 GGHNRYHNVVQXLZ-SJORKVTESA-N 269.473 4.661 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1nc2ccccc2s1 2277983106 PFYPIWRMMFDBBN-DOMZBBRYSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](C)C[C@H](C)O 2278244131 RHIFYBNGEWAYFH-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE CCC(C)(C)N(CCC#N)CC[C@@H]1CCCCC12CC2 2279653578 QDPSIYXKENWGFO-INIZCTEOSA-N 276.468 4.751 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc3cccnc3s2)CC1 2280195543 NANJFTUWGSJXBE-OAHLLOKOSA-N 286.444 4.693 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)CCCC[C@H]1C[C@@H]1C 2280444185 NAZUHXWSWKXCFA-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE Cc1cc(NCc2ccc(Cl)c(F)c2)cc(C)c1C#N 2280580100 IVFVEPGKTCOXPW-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCCC12CCCCC2 2284087609 BAMSBXXHRLTGKN-IBGZPJMESA-N 273.464 4.814 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2nc(C)cc3sccc23)C1 2286124399 RKNMSVKXNCODBY-CXAGYDPISA-N 284.428 4.966 30 10 CJEE C=CCCCSc1c(CNC(C)(C)C)ccc(F)c1F 2287193031 HMCYSPLJCPKPGY-UHFFFAOYSA-N 299.430 4.911 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(OC)ccc1F 2287386773 ZADJLDOEKHKGFW-KRWDZBQOSA-N 279.399 4.621 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CC(C)(C)CO1)NCCC 2287416057 WTMCCWUEPOSPEX-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@]1(OCC)CCC[C@H](C)C1 2287467205 MIKRUUOKAFYVMF-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCN[C@H](CC)[C@@H](C)CN(C)C 2288713589 UHPRBSCEZAINOA-ZWKOTPCHSA-N 284.532 4.693 30 10 CJEE C=C[C@@](C)(CCCCCCCCCCCCO)C(=O)O 2289425473 POLBQKRFFZGJLY-KRWDZBQOSA-N 284.440 4.547 30 10 CJEE CCC1(CC)CSC(=N[C@H]2CC(C)(C)CCC2(C)C)N1 2290306007 PUUWUYXOCUMABS-ZDUSSCGKSA-N 296.524 4.843 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1C)OCCC(=O)O 2290767263 YDOKSKFDVWUULU-OWCLPIDISA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCC12CCCC2 2290891985 ZVUYWIBQXYKRFE-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE C=CCCCCCC[C@@H](OCCC(=O)O)C1(CC)CC1 2291283735 ICASWOQLBAQVFY-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)C=CCC[C@@H]1C 2293599399 ITJKWVSINPNNQQ-ROUUACIJSA-N 279.468 4.603 30 10 CJEE C=CC[C@](C)(CC1CC(CC(C)(C)C)C1)OCCCN 2293791542 VIFRCRYGJQFOMK-LEOMRAHMSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@H](OCCN)c1cccc(C)c1F 2294370048 RQYGXIDWTNJCTJ-MRXNPFEDSA-N 281.415 4.511 30 10 CJEE C=CCC1(NCc2c(C)c(C)c(C)c(C)c2C)CCC1 2294681317 XBPRNQNKMMHDJH-UHFFFAOYSA-N 271.448 4.817 30 10 CJEE N#CC1(C2C3CC4CC(C3)CC2C4)C[C@@H]2CC[C@H](C1)S2 2294847368 SIAWBBUECYJYAI-HAGCJRIPSA-N 287.472 4.627 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CCC)C(C)C 2295521561 CSWBKQCBQFXVDN-GOSISDBHSA-N 284.532 4.965 30 10 CJEE C=C(F)C[C@H](NCC)[C@@](C)(O)CCCCCCCCC 2295676864 OZLLXNSSMOEXRJ-IRXDYDNUSA-N 287.463 4.730 30 10 CJEE CCCCCCCCC[C@@H](C)NCCN(C)[C@@H](C)CC 2295686722 LYRGGKDOKGYDGQ-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE CCCC[C@H](CC)CSCC(=O)c1ccc(C#N)cc1 2295766018 JJECXGUGLTXIJT-AWEZNQCLSA-N 289.444 4.691 30 10 CJEE C(#Cc1ccccc1)C=Cc1cccc2ccccc12 2297448167 AEAYWLVMSKAOCO-UHFFFAOYSA-N 254.332 4.905 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H](C)SC 2299410355 BICNLBNVLBBHJR-HUUCEWRRSA-N 259.503 4.857 30 10 CJEE CCC=CC(=O)c1ccc(Cl)cc1C(F)(F)F 2303092104 QSEUFBMFOYQFRM-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)c(C)s1 2304058942 LLELSBMIOZSURR-LSDHHAIUSA-N 251.439 4.618 30 10 CJEE CC(C)[C@H](C)[C@@H](C)OC[C@](C)(CS)C(C)(C)C 2307144324 FCBMHPNGMDKNMP-GZBFAFLISA-N 260.487 4.666 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1C[C@@H]2CC[C@H]1C2 2312897854 AQLZXPIVVQPDPD-QZWWFDLISA-N 250.426 4.700 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@]23CCCC[C@@H]2CC3)CCS1 2313321306 LRONKGMVDFDLNW-FPCVCCKLSA-N 263.450 4.772 30 10 CJEE C=CC[C@H](C)Sc1cccc(SCC)c1C(=O)O 2313525188 UAPQTGKCJXLTBW-JTQLQIEISA-N 282.430 4.554 30 10 CJEE C=CC[C@@H](C)OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2313539729 OTKNFMLCLQHTCA-SNVBAGLBSA-N 285.170 4.514 30 10 CJEE C=CCC(CC=C)SC[C@@H](C#N)c1ccccc1 2313658972 KGZFSRQZWIMQTO-OAHLLOKOSA-N 257.402 4.548 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C[C@H](SC)C1 2314263842 YNOAJGUPHDWQNE-BZUAXINKSA-N 269.498 4.633 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(Cl)cc1 2315436517 OTJBQLOJBFLRMR-IVMMDQJWSA-N 263.812 4.735 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(F)c(C)c1Cl 2316781006 WCVBKSCWGXSWNY-BMIGLBTASA-N 269.791 4.650 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCCSC1 2317000949 HGXGSAGBTXDSMJ-CAOSSQGBSA-N 263.450 4.630 30 10 CJEE C=C([C@H](CCC1=CCCCC1)NCC)[Si](C)(C)C 2317978150 ZJHCPWYQVMNJOY-INIZCTEOSA-N 265.517 4.679 30 10 CJEE C=C1C[C@@H]1[C@@H](CC[C@@H](C)CCCC(C)C)NCC 2319259281 UZBYEJKVCCFKOW-BHYGNILZSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H]1CN[C@H]2CCC[C@H]2C1 2319902646 YPYLGZJCAHWWBY-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE C=CCC(C)(C)C(=O)OC(CC(C)C)CC(C)C 2321223743 OEWNAOXXFPKVHV-UHFFFAOYSA-N 254.414 4.593 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)CCC(C)(C)C(F)(F)F 2321234789 UTGUFOYGEUIRDS-WCQYABFASA-N 266.347 4.708 30 10 CJEE CC1(C)CCCCCN1C[C@](C)(CS)C(C)(C)C 2327080304 NKIMHIPVXMLXEF-MRXNPFEDSA-N 271.514 4.623 30 10 CJEE CC1(C)CC(C)(COC[C@@](C)(CS)C(C)(C)C)C1 2327112358 JOXLVJVXAVOVLL-INIZCTEOSA-N 272.498 4.812 30 10 CJEE C=CC[C@H](C)Sc1cc(F)cc(CNC2CCC2)c1 2335247587 GRKILYFQJFSFMC-LBPRGKRZSA-N 279.424 4.525 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc(F)ccc1C(F)F 2338243589 IXQICPIUVGXUPY-IINYFYTJSA-N 271.326 4.626 30 10 CJEE C=C1C[C@H]1CNC(C1CCCCC1)C1CCCCC1 2338272565 XARIZWFUKHBPGN-KRWDZBQOSA-N 261.453 4.681 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2338732971 NMPQJFKMZRPWDZ-BRWVUGGUSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1CCC(C)(C)CC1 2338736708 XCYQFCQOLZFUQF-KRWDZBQOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CCCCC12CC2)NC 2338746964 LVCDZKKLKCHFAJ-DLBZAZTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc2ccccc2c1 2338748298 ATZDJWWYMIRJHM-GOSISDBHSA-N 251.373 4.608 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339278346 DYKSMHTWILXDQT-BRWVUGGUSA-N 258.405 4.829 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)cc1F)NCCC 2344345449 MUVGLFVWSGBALH-WBMJQRKESA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]12CCCC[C@H]1C2)NCCC 2344375127 AYVCSMKEFIVXLA-XYJFISCASA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC(C)(C)C(F)(F)F)NCCC 2344378410 GCAKFSHPHQCYNC-GFCCVEGCSA-N 279.390 4.936 30 10 CJEE CCc1cc(Cl)ccc1C#CCCCCCCCO 2353027892 UUVKPNSNEDOUSQ-UHFFFAOYSA-N 278.823 4.587 30 10 CJEE CSc1cc(NCC(C)(C)CC(C)C)ccc1C#N 2353832182 XXAQBUGKODKTAV-UHFFFAOYSA-N 276.449 4.764 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc(F)cc2SC)CCC1 2353845324 JUCHLIZUUYTQHZ-CQSZACIVSA-N 279.424 4.555 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359069100 HEROAUSMTYUKSY-XMTFNYHQSA-N 282.468 4.693 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CC[C@H]2C[C@@H]1CO2 2360180178 UARJLXHPNHCMOG-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE C=CCC(CC=C)OC(=O)CCSc1ccc(C)cc1 2360213464 VAXADDIVDKYUQN-UHFFFAOYSA-N 290.428 4.541 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2ccccc2C#N)cc1 19984187 XHTOOKNDAKLMQS-CQSZACIVSA-N 264.372 4.855 30 10 CJEE CC[C@H](CC#N)Nc1cc(Cl)c(Cl)cc1Cl 36678845 GAPSHGFCVPAXRO-SSDOTTSWSA-N 277.582 4.751 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1C#N 36862159 YQLOBKMKDWYJEC-ZTFGCOKTSA-N 271.404 4.536 30 10 CJEE CCCCC1CCC(C(=O)[C@H](C#N)c2ccccc2)CC1 36930331 HPCZPMGEUJLAEE-VMWRSERWSA-N 283.415 4.859 30 10 CJEE N#C[C@@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 37935855 UKUYAGSXHUWTKL-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#CCc1ccc(C(F)(F)F)c(-c2ccc(F)cc2)c1 47205212 JQVPSFWGHIFJNS-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CCCCCCCCNc1ccccc1-c1nc(C)no1 59422936 HWBYFMQRHQJSSL-UHFFFAOYSA-N 287.407 4.817 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](c1ccccc1)C(F)(F)F 70397406 LHEXPUNJAJRSRS-HNNXBMFYSA-N 290.288 4.582 30 10 CJEE CCCOc1ccccc1-c1cc(C#N)c(CCC)o1 77081270 DUSIQTXDLIKKBZ-UHFFFAOYSA-N 269.344 4.560 30 10 CJEE CCC(CC)(CS)CN1CCC[C@@H](C(C)(C)C)CC1 94581621 SSZUDMZESQHGFP-OAHLLOKOSA-N 285.541 4.871 30 10 CJEE Fc1ccc(OC[C@H](CS)c2ccccc2)c(Cl)c1 94582201 ZVIUTQVVFOUFTH-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE CCC1(C(=O)[C@@H](C#N)c2ccc(F)cc2Cl)CCCC1 94902841 GRGXVYMEQHMHEI-ZDUSSCGKSA-N 293.769 4.626 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1ccncc1 103466141 RMPVPNORXVSSKZ-INIZCTEOSA-N 262.441 4.873 30 10 CJEE CCCCCCCNCc1cc(Br)cs1 105807331 DPZFNMZWGCUCCK-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1CC)c1cccc(Br)c1 107494875 IHEFSVIHYNJVCW-LERXQTSPSA-N 283.209 4.510 30 10 CJEE CCCCCCCO[C@@H](C)[C@H](NCC)c1ccccc1 110081581 SOPAFVQVVRZPJQ-WMZOPIPTSA-N 277.452 4.713 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NC 110081693 MGROHZFJMRINCC-YESZJQIVSA-N 283.500 4.776 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@@H](CCC)NC 110083896 RSNKYLGEGWMUHR-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCCN1CCC(C(=N)N)CC1 112905839 ZMYMYCUSXVXYIR-UHFFFAOYSA-N 295.515 4.555 30 10 CJEE CCCCCCCCSc1cc(N)cc(F)c1 113366488 DRVYJEJEHOSNMS-UHFFFAOYSA-N 255.402 4.861 30 10 CJEE CC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 113856837 GNFQHKPKOVRLRH-GQCTYLIASA-N 260.720 4.511 30 10 CJEE CCCCCCC[C@@H](CN)N(CCCC)c1ccccc1 113858142 UDTGIDUUXVFCGX-IBGZPJMESA-N 290.495 4.981 30 10 CJEE CCCCCCCCCCN1CCCNC2(CCCC2)C1 115263652 ASMWOCLPIAZGNT-UHFFFAOYSA-N 294.527 4.735 30 10 CJEE CCCCCCCCO[C@H]1C[C@H](NC)C1(CC)CC 117341656 OSXXIVDIXCKXMN-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)[C@H](C)N 126600687 SDRPPYPQOGLIOD-CVEARBPZSA-N 269.473 4.850 30 10 CJEE Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C#N 126811288 YWZBVAZJUGXBNJ-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE N#CCc1ccc(N[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 130616301 HBGVJDGHAUQXFV-IEBWSBKVSA-N 276.383 4.501 30 10 CJEE Cc1cc(Sc2cccc(Cl)c2)ccc1C#N 133537761 NAWRGGZCTDVZLR-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C=CCCC[C@@H](O)c1cc2cccc(Br)c2o1 136386185 NTWRWBQKLIYMTN-GFCCVEGCSA-N 295.176 4.585 30 10 CJEE Cc1cc(C#N)ccc1CNc1ccccc1C(C)C 165166747 VXFMKZJFIZVYME-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE N#C[C@H](Cc1cccs1)C1C2CC3CC(C2)CC1C3 216538375 QIJXSPXWQARXGD-RWUOKQAASA-N 271.429 4.503 30 10 CJEE CCCCCCCCOc1ccc(CNCC)cc1F 222112704 SMXLFBWHFUHARX-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCCCCCCOc1nc(NC)c(Cl)cc1Cl 226624734 GNOIIRZADMFOJP-UHFFFAOYSA-N 291.222 4.779 30 10 CJEE C=C(CC)C[C@H](NCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229759087 XLFNURCEQRKYQB-HZOPKGLOSA-N 275.480 4.927 30 10 CJEE C#C[C@@H](CC)NCCCCCCCCCCCC 229964008 RUZRNOASCOVULI-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2cc(Cl)ccc2Cl)CC1 232880788 AILUYOOYHVRWHT-CUMGRINNSA-N 298.213 4.747 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(SCC)cc1 233162544 RGNWLRSOHGCSRF-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccc(Cl)cc2Cl)CC1 235289337 WEATURGCXZJDRL-JTQLQIEISA-N 283.198 4.851 30 10 CJEE C=CCCCCC[C@H](O)c1c(F)c(F)c(F)c(F)c1F 236537063 VRJPVBFUTKDAIO-QMMMGPOBSA-N 294.263 4.552 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC[C@@H](C)[C@H](C)C2)CC1 252541664 DZNHGZPRMQOMLY-IUGQGLEPSA-N 277.452 4.530 30 10 CJEE COc1ccc(C=Nc2ccc3ccccc3c2)cc1OC 254403031 QWJJTXUZWKAGMP-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE CC(C)(C#N)c1csc2ccc(C(F)(F)F)cc12 259940741 FYQXROIJVHULQU-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE COc1c(C)cc([C@@H](CC#N)C2CC2)cc1C(C)C 260830472 JYXJTZDSLITSAW-HNNXBMFYSA-N 257.377 4.534 30 10 CJEE CC(C)C[C@@H](C)[C@H](C#N)c1ccccc1Br 304559799 VPYMWSCUFJUTCM-YPMHNXCESA-N 280.209 4.738 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccccc1Cl 311426046 OJLGSMBBBVDFMX-MRXNPFEDSA-N 277.839 4.820 30 10 CJEE N#C[C@@]1([C@@H]2C=CCCCCC2)CCc2ccccc21 311633085 VYZUKAOHLBZZSX-SJLPKXTDSA-N 251.373 4.531 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC(F)(F)c1ccccc1 316630754 MXZFVSKOYSOJRV-UKRRQHHQSA-N 266.331 4.564 30 10 CJEE CCCC1CCC(C=O)([C@H]2CC(C)(C)OC2(C)C)CC1 317083241 CYNIDZZBCPKWCI-CSLYMUCUSA-N 280.452 4.756 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1ccc(C(F)(F)F)cc1 317129231 DGSWFXZZYLYDKQ-IUODEOHRSA-N 284.321 4.643 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cccc(Cl)c1 379838790 FVXBLZXNLSWJQJ-LBPRGKRZSA-N 251.801 4.593 30 10 CJEE C=CCCCCCOc1cccc(C[C@H](N)CC)c1Cl 381387768 LZUQEYRMVPCMOY-OAHLLOKOSA-N 295.854 4.745 30 10 CJEE CCCCCCCNc1cc(C)cnc1Br 390266923 QGRWCEZEWJOJPG-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE CCCC1(C/N=C2/N[C@@H](C3CCCCC3)CS2)CCC1 391980878 NYMVZADFGPPZLJ-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE C[C@H](C1CCCCC1)[C@@H](O)C1(C#N)CCCCCCC1 394317592 GOCDYGKWBFWVPP-NVXWUHKLSA-N 277.452 4.818 30 10 CJEE COc1ccc(Cl)cc1C[C@]1(C#N)CCCC[C@@H]1C 394979260 VKCVSFMFLCBYTL-LRDDRELGSA-N 277.795 4.611 30 10 CJEE CCCCN(C[C@H](C#N)C1CCCC1)c1ccccc1 397301330 LOJXDBFHSBGTEN-KRWDZBQOSA-N 270.420 4.623 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 401397249 LQNMKWNFBRHQHF-GXTWGEPZSA-N 276.811 4.840 30 10 CJEE C[C@](C#N)(Cc1cccc(F)c1Cl)c1ccccc1 405679670 KMFOULUOEQGXLC-MRXNPFEDSA-N 273.738 4.503 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 421512929 XBIFEGZRLIBNBE-GVDBMIGSSA-N 297.442 4.913 30 10 CJEE CCC[C@H](NCC1CCC(C#N)CC1)C1CCCCC1 442872516 YZOGERGPNDBUIB-HTWSVDAQSA-N 276.468 4.655 30 10 CJEE C=CCC[C@@H](CC)Nc1cnn(CC(C)C)c1C(F)F 495181162 CGXONDBZPWCHMF-GFCCVEGCSA-N 285.382 4.633 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1ncc(CC)o1 530489213 WAKIQAPRYHHCHV-UHFFFAOYSA-N 284.403 4.701 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H](OC)C1 686314281 PJWCYVBSXMVIMB-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CN 686691349 KDDNEXYRBSYARD-IXDOHACOSA-N 263.469 4.607 30 10 CJEE CC(C)(COc1ccc(C#N)cc1Cl)c1ccccc1 686732259 LOJDTAVDCNMMMW-UHFFFAOYSA-N 285.774 4.568 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCCCC[C@@H]2C(C)C)C1 691124092 ZVYCGXSVWSHJSS-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@@H](C)O 691315760 YHRCJQNYVQIWHJ-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE CC(C)(C#N)CCCC[C@H](C(=O)O)c1cccc(Cl)c1 691777539 SGSUEYIUHMZZGZ-AWEZNQCLSA-N 293.794 4.618 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1C(F)(F)F 692235443 SIAIDGHPKXDHRL-CBBWQLFWSA-N 289.385 4.832 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)cc3C)C[C@@H](C1)C2 697305549 YXDPZNAJZGYQEF-SJPCQFCGSA-N 255.405 4.850 30 10 CJEE CN(CC1CC(C)(C)C1)CC1(CS)CCCCCC1 701467287 SITNZIWAKLDHKI-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE Cc1ccc(COc2cccc3sccc23)cc1C#N 701838638 FUYXNWAKFXYGCD-UHFFFAOYSA-N 279.364 4.660 30 10 CJEE C=CCCCCCCNc1nc(C)ccc1Br 712389371 XYMNJTIMAJOOGD-UHFFFAOYSA-N 297.240 4.701 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C)cc1Br 715727352 YILOOIUOOOYJQS-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCCC(C)(C)[C@@H]1NCC 719290773 TYOZQNKXBNRFMA-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2sc(C)cc2C)CC1 719471248 GPKAWJUPVSKXQF-ARWYELJZSA-N 291.460 4.899 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1 1134837987 IDWAJXAIZDEXMY-HZPDHXFCSA-N 297.423 4.832 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 1137199719 YWQSBHZFQAVQIZ-PKOBYXMFSA-N 299.458 4.631 30 10 CJEE C=CCN(Cc1cccs1)Cc1c(F)cccc1CC 1180505366 QBOYLXPLIQOVTC-UHFFFAOYSA-N 289.419 4.638 30 10 CJEE C=CCCCCCCCNCc1nc2ccccc2nc1C 1182194989 BRMFKUDUUJCMKF-UHFFFAOYSA-N 297.446 4.554 30 10 CJEE C#CCCCCCCNCc1ccc(Cl)c(Cl)c1 1182929692 GXBDPIKLVMNMCF-UHFFFAOYSA-N 284.230 4.667 30 10 CJEE C=CCCC(C)(C)CNC[C@@H](OC(C)C)c1ccccc1 1183256859 SSOUIUWWHKLXAS-GOSISDBHSA-N 289.463 4.735 30 10 CJEE C=CC1CCN(Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 1191013824 OUGDYHWJMAHAJJ-ZDUSSCGKSA-N 297.364 4.750 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(-c3ccccc3)cn2)c1 1205277017 OLTGETYTFVTEHG-MRXNPFEDSA-N 298.389 4.903 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 1307915576 WCFASZUYUJUWGL-UONOGXRCSA-N 295.373 4.637 30 10 CJEE C#Cc1cccc(NCc2c(C)cc(Cl)cc2C)c1 1308347620 YNFYZCFXLYOGAT-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C#Cc1ccc(CN(CCCCC)CCCCC)cc1 1308652575 BFDNSQCOODYVDQ-UHFFFAOYSA-N 271.448 4.850 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(Cl)c(C)c1 1310937405 NESXTQJBRMBIJV-UHFFFAOYSA-N 280.799 4.515 30 10 CJEE C=C(C)CCC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 1350032663 IOUHVQKTWHTZHB-GFCCVEGCSA-N 299.336 4.581 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1353387604 VFDLVNFBRLUQBL-JKSUJKDBSA-N 293.495 4.900 30 10 CJEE C=C(CC)CN1CCCC[C@@H]1c1cccc(Cl)c1 1460032325 SMYPZVBFEPYGCB-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 1474637847 NDVBBYAFDJLBOE-NUDXDXSLSA-N 287.422 4.578 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H](CC)C2)c1 1477187884 XIWVLWULBIQNHU-ZBFHGGJFSA-N 286.419 4.810 30 10 CJEE C=C(C)CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 1515927395 QNQHXSJHGNSGPP-INIZCTEOSA-N 291.410 4.776 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@H]1CCC 1523907121 GYLWCMAAISGDHR-NVXWUHKLSA-N 285.431 4.960 30 10 CJEE C=CCC1(C(=O)NC2CCC(C(C)(C)CC)CC2)CCC1 1524598505 PMGUUXSUYCSFAG-UHFFFAOYSA-N 291.479 4.844 30 10 CJEE C=CCC[C@@H](C(=O)NCCCCC(C)C)c1ccccc1 1530333637 GQBHHCACEVOHKA-GOSISDBHSA-N 287.447 4.679 30 10 CJEE C=CCCC[C@H](NC(=O)C[C@@H]1CC[C@H]2C[C@@H]12)c1ccccc1 1536598928 CQQKHEUKPSAAHE-OKYOBFRVSA-N 297.442 4.636 30 10 CJEE C=CCC1(C(=O)N[C@H](C)[C@]23CCCC[C@H]2C3)CCCCC1 1544271855 SDIJYLWIJKRHRP-JTDSTZFVSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CNC(=O)[C@H](CC1CCCCC1)C(C)C 1544668352 TVBHPWDOZVUXCK-MRXNPFEDSA-N 279.468 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc2cc[nH]c12 1556870520 WNZSUWIULPIELQ-UHFFFAOYSA-N 298.430 4.814 30 10 CJEE C=CC[C@@H](C)NC(=O)Nc1cccc2c1[C@H](C)CC2(C)C 1563289879 GZJCCFIKHLITLH-CHWSQXEVSA-N 286.419 4.558 30 10 CJEE C#Cc1ccc(NC(=O)N(CCCC)C2CCCCC2)cc1 1563369859 QLUOFBBBATWLBH-UHFFFAOYSA-N 298.430 4.635 30 10 CJEE C=CCC[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 1583037551 NGPDHYBPTKLTIC-DVQDXYAYSA-N 297.423 4.585 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1cccc(Cl)c1F 1584231645 MBZMXGRHSDLLCO-WDEREUQCSA-N 284.758 4.686 30 10 CJEE C=CCC1(NC(=O)c2oc3ccccc3c2CC)CCCC1 1586371996 UVLFHHCTLXGUGN-UHFFFAOYSA-N 297.398 4.614 30 10 CJEE C=CCCC[C@H](Nc1nc(CC)ns1)c1ccccc1 1612827386 LVPXOOWNAFASEB-AWEZNQCLSA-N 287.432 4.610 30 10 CJEE C=CCCCCCN1CCC(Nc2cccc(C)c2)CC1 1615893588 BWBBCTTXNJZEHM-UHFFFAOYSA-N 286.463 4.618 30 10 CJEE C#Cc1ccc(N[C@H]2CS[C@@H](C(C)(C)C)C2)c(Cl)c1 1621548221 WCCTVQXQYKSZDY-IUODEOHRSA-N 293.863 4.653 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(CC(C)C)CC(C)(C)C 1637535008 IHDMVXADXZTAHI-UHFFFAOYSA-N 296.499 4.693 30 10 CJEE C=C(C)c1cccc(Nc2ncccc2Br)c1 1640506325 RSGKCFXCTKSUBV-UHFFFAOYSA-N 289.176 4.621 30 10 CJEE C=C(C)CN(CCC(C)(C)C1CC1)Cc1ccccc1 1642964732 YWRVTNCEUGKGHY-UHFFFAOYSA-N 271.448 4.891 30 10 CJEE C=CCCC1(CNCc2cc(F)ccc2C)CCCC1 1651322189 NMYITQSYJHJFQO-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CC(C)(C)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 1652481004 KROVMBWTSFBAIO-GOEBONIOSA-N 277.839 4.778 30 10 CJEE C=CC[C@H]1N(Cc2ccc(C)c(F)c2)CCCC1(C)C 1653460507 ZQHTUCPWXGYQFT-QGZVFWFLSA-N 275.411 4.701 30 10 CJEE Cc1ccccc1CS[C@H](C)c1cccc(C#N)c1 1656007156 FNFAYXLELQNJJE-CQSZACIVSA-N 267.397 4.861 30 10 CJEE C#Cc1ccc(CN(CCC)[C@H]2CCc3ccccc32)cc1 1657467633 NASCKZYPNSAGSG-NRFANRHFSA-N 289.422 4.567 30 10 CJEE C=CCCN[C@H](CCCc1ccccc1)c1ccccc1 1657596903 NISHQEGSNZYTTP-HXUWFJFHSA-N 279.427 4.916 30 10 CJEE Cc1cc(F)c(C(F)(F)F)cc1NC[C@@H](C)CCC#N 1659946243 FYYZPNRIIGXGCT-VIFPVBQESA-N 288.288 4.505 30 10 CJEE C=C(C)c1cccc(N[C@H](C)[C@@H](OC)c2ccccc2)c1 1660854469 DIQIEHFGVAVGBG-DNVCBOLYSA-N 281.399 4.908 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1CC(F)(F)F 1663025502 NZAYWGVDJBVYLO-UHFFFAOYSA-N 299.380 4.873 30 10 CJEE C/C(CCc1ccccc1)=N\OCc1ccc(C)cc1 1860465698 MEDNWYJACNXNNM-KNTRCKAVSA-N 267.372 4.520 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 1879654401 VTKPWYJQGJEDPW-MLHJIOFPSA-N 263.469 4.621 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCC23CCCCC3)CC1 1884407147 LDYBAHHLKJMCLT-KRWDZBQOSA-N 261.453 4.778 30 10 CJEE C#CC[C@@H](C[C@]1(C#N)CCCCC12CCC2)C1CC1 1887428720 RVALVPACBFVEHQ-WMZOPIPTSA-N 255.405 4.680 30 10 CJEE C#CC[C@@H](C)CC1(CNCC)CCC(CCC)CC1 1887474401 GRPFAODPHHWUTA-WWDZGPRUSA-N 263.469 4.622 30 10 CJEE C[C@H]1CCC[C@H](CN=C2NC3(CCCCCC3)CS2)C1 1912089851 XTHBJHDBUJQLAA-GJZGRUSLSA-N 294.508 4.598 30 10 CJEE CC(C)c1ccc(C=CC(=O)c2cccs2)cc1 1912212683 HMXKUIXZQRGHII-UHFFFAOYSA-N 256.370 4.768 30 10 CJEE CCCCCCCCC[C@H](N)c1cnccc1CC 1915910303 FOVRGBVBTNOLRL-KRWDZBQOSA-N 262.441 4.785 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)CCC(C)(C)C1CC1 1919418794 FBUNQISJRPRCOT-GOSISDBHSA-N 282.468 4.883 30 10 CJEE CCCCCCCC(=O)[C@@](O)(CC)c1cccc(Cl)c1 1919423752 AACWPHHYVUKOEL-QGZVFWFLSA-N 296.838 4.867 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(SC)cc2)C1 1921048938 KEADNXNQQROQJP-XOKHGSTOSA-N 289.444 4.552 30 10 CJEE N#C[C@@H]1CCC[C@H]1N(Cc1ccccc1)CC1CCCCC1 1931885120 DBTMOCQMQCPSPT-VQTJNVASSA-N 296.458 4.761 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc2sc(C)cc2s1 1950488567 OEIORVUNNIQYPO-LLVKDONJSA-N 265.447 4.888 30 10 CJEE C=C(C)CC[C@H](NC)c1cc2sc(C)cc2s1 1950502688 XEVRXIHNTJHTKI-NSHDSACASA-N 265.447 4.888 30 10 CJEE C=C[C@H](C)N(Cc1ccccc1)CC1CCCCC1 1953773039 JMUYOVDTHUCDPB-INIZCTEOSA-N 257.421 4.643 30 10 CJEE C=C[C@@H](C)N(Cc1ccccc1)CC1CCCCC1 1953773040 JMUYOVDTHUCDPB-MRXNPFEDSA-N 257.421 4.643 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCCC1(F)F 1954903621 AVTYKXMCAKYMTJ-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 1960205293 FZDPYQKNGKKWRK-DFQSSKMNSA-N 296.458 4.783 30 10 CJEE Cc1cc(C#N)ccc1OCc1ccc(Cl)c(Cl)c1 1969179021 PTDWPRWHOGPBTK-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 1970667126 SQWWGERWKRSFGE-RWMBFGLXSA-N 274.795 4.592 30 10 CJEE N#Cc1cc(Cl)ccc1N1CC[C@H]2CCCCC[C@H]2C1 1973619456 BSZJZWMBLZNIIF-KGLIPLIRSA-N 288.822 4.618 30 10 CJEE CCC#CC[C@H](NCC)c1cc(Cl)sc1Cl 1982006822 DXVHNBHMTOGXLC-JTQLQIEISA-N 276.232 4.509 30 10 CJEE Cc1sc(C(=O)C2=CC[C@@H](C)CC2)cc1Br 1985233947 BFCHNYXBLHOHAZ-MRVPVSSYSA-N 299.233 4.748 30 10 CJEE Cc1sc(C)c(C2=CCCCCC2=O)c1Br 1986181834 AZJKBIUMEZYUHX-UHFFFAOYSA-N 299.233 4.654 30 10 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NOXABTLDYILASE-ZWKOTPCHSA-N 283.500 4.665 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H](O)[C@H](CC)C(C)C 2207441403 IFKMOGBVURAOBA-SQNIBIBYSA-N 283.500 4.664 30 10 CJEE CCCCC1CCC(C(=O)[C@H](C#N)[C@H]2CC2(C)C)CC1 2207608816 PKSUEBTUCKDKBC-QDIHITRGSA-N 275.436 4.738 30 10 CJEE C=CC[C@H](NCCC)c1cc(C)c(Cl)c(C)c1 2212880542 PERVNFATYOVQGE-AWEZNQCLSA-N 251.801 4.574 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cc2cscc2s1 2218434178 BSBRRQCQKUJUAO-LBPRGKRZSA-N 277.458 4.663 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ncc(C)s1 2220084129 INQJAOHAYPJUSM-CQSZACIVSA-N 266.454 4.629 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2220761929 JFDZSPNQCGQPNE-UFBFGSQYSA-N 278.701 4.604 30 10 CJEE CCC(C#N)(CC)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2222042783 UTTQLFNGKNIAHJ-CYBMUJFWSA-N 286.202 4.531 30 10 CJEE CCCCCCCCCOc1cc(N)cc(F)c1 2223204680 KSLGKXOILCGLHK-UHFFFAOYSA-N 253.361 4.537 30 10 CJEE CCCCCCCCCCCO[C@@H](C)CCCN 2223273763 ZMFDVFFHMQDHQN-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C#C[C@H](Nc1cc(Cl)c(N)cc1Cl)C1CCCCC1 2225906114 WOPQAJQQVXKXJW-AWEZNQCLSA-N 297.229 4.570 30 10 CJEE CCCCCCCCCOC(F)(F)CN[C@H](C)CC 2230996497 VZVHHBQMPFRBEP-CQSZACIVSA-N 279.415 4.735 30 10 CJEE CCCCCCCCCO[C@](C)(CCCC)C(=O)O 2231043532 AEHBQVHYNXJNSL-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@@]1(C)CCCC1(F)F 2231498469 AJHQYDKFUXGMQD-UKRRQHHQSA-N 271.395 4.536 30 10 CJEE C=CCCCCCC[C@]1(O)CCc2c(C)cccc21 2231517112 BXWDEBMTGRIDRV-SFHVURJKSA-N 258.405 4.655 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)cc1C 2231560009 YGHUFLNDJFUXLP-GJZGRUSLSA-N 279.855 4.771 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H](C)N[C@@H]1C 2231748918 ALIHONUKYJDXHX-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CCCCCCCC[C@@](C)(C#N)N1CCCCCC1 2231852149 RKHPZMSMGLYYGC-KRWDZBQOSA-N 264.457 4.895 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H]1OCC[C@H]1C 2231899756 CMSLKZQBRBWOAT-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](OC)[C@@H](C)CC 2231940737 MUADGOQVGDVXRP-ULQDDVLXSA-N 271.489 4.776 30 10 CJEE CCCC#C[C@@H](NCCC)c1ccccc1C1CCC1 2233782036 LJUNAXSACOQOEJ-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2233782237 MDKYVJOXQFKBCY-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCOC[C@@H](NC)c1ccsc1 2234040550 GTIVKISDNDXDBX-QGZVFWFLSA-N 295.492 4.942 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](COC)CC(C)C 2235513982 OYMDJIOVEDKVGV-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](OC)c1ccccc1 2235523704 IMPFXEOCISWYEU-SFHVURJKSA-N 274.404 4.860 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(OC)ccc1C 2235526149 IHQNPWKEWYWAJO-GOSISDBHSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCCN1CCC[C@H]1[C@@H]1CCCCO1 2235538354 HXSHJXQNUZVGKR-ROUUACIJSA-N 279.468 4.547 30 10 CJEE CC(C)(C#N)CCC[S@@](=N)(=O)CCCCCCC1CC1 2239364346 BVEOXXYXONGBME-FQEVSTJZSA-N 298.496 4.724 30 10 CJEE CCCCCCCCCO[C@@H]1[C@H](O)CC(C)(C)C1(C)C 2239543385 JHFMNDGGCXCOQY-HZPDHXFCSA-N 284.484 4.939 30 10 CJEE CCCCCCCCCCCOC[C@H](N)c1nccs1 2239554771 OJIXDIPCQKKJCF-HNNXBMFYSA-N 298.496 4.690 30 10 CJEE CCc1ccc(C#CCC(=O)CC2CCCCC2)cc1 2239739197 NBFSPZZJNXJGMH-UHFFFAOYSA-N 268.400 4.530 30 10 CJEE N#C[C@@]1(Cc2ccc(C3CCC3)cc2)C[C@H]2CC[C@H]1C2 2240374623 QEXGIOBZIAMHJU-ZYSHUDEJSA-N 265.400 4.827 30 10 CJEE CCCCCCC[C@H](CC12CCC(OC)(CC1)C2)NC 2240389228 QAJTWZLTRMGRSO-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cnc(C)cc1C 2240637750 MAWKLABYNKTVQQ-MRXNPFEDSA-N 276.468 4.927 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cc(C(C)C)n[nH]1 2240645091 QFSJVALUEHDBRH-OAHLLOKOSA-N 279.472 4.762 30 10 CJEE N#C[C@]1(Cc2cccc3ccoc23)CCCC12CCC2 2241135770 GNUDFSVQMWQZBA-GOSISDBHSA-N 265.356 4.839 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc2occc2c1 2241152319 NZHVAWZCPVGHQG-GOEBONIOSA-N 271.404 4.556 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(F)c1Cl 2250143919 XQZDEPALFXNRST-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=C(C)CCCC[C@H](O)c1csc(Cl)c1OC 2250166754 LMDOGDLYGOLEPE-NSHDSACASA-N 274.813 4.580 30 10 CJEE CN(CCCCCCCS)C1(C)CCCCC1 2252651732 RHDFFFNSENWHLC-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE CCCCCCCCN[C@H]1CC(F)(F)C12CCC2 2254885043 RARYPBVSBYJFIZ-ZDUSSCGKSA-N 259.384 4.514 30 10 CJEE N#Cc1cc(F)c(Cl)cc1SCC1=CCCCC1 2255181321 QRMVUBOYQCLFDA-UHFFFAOYSA-N 281.783 4.943 30 10 CJEE CN(CCCCCCCS)[C@@H]1CCCC12CCC2 2263208254 RODRBTMMNAUVAF-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1CC1(F)F 2263669955 HGOPFHDVIAMMMB-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE C[C@@H]1C[C@H]2CCC[C@H]2N1CCCCCCCCCS 2265580337 WVZWHYJZSPKWSW-BRWVUGGUSA-N 283.525 4.910 30 10 CJEE C=CCCCCCCCSCCC[C@](N)(C#N)CC 2271518130 XPHBSCVYSNXZDJ-INIZCTEOSA-N 282.497 4.657 30 10 CJEE C=C(C)CCCCC(=O)[C@H](O)CCCCCCCC 2271839034 MPEDMCVELWYXRC-MRXNPFEDSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1CC2 2273374276 ZYAJBMTUPJGVBW-IXDOHACOSA-N 266.473 4.539 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(O)C#CC1CCCCC1 2274071911 MBRCIFWZFLMHTD-SJLPKXTDSA-N 262.437 4.538 30 10 CJEE FC(F)Sc1ccc(NCC#CC2CCCC2)cc1 2274105735 DBJVQCKBBAGPAD-UHFFFAOYSA-N 281.371 4.607 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)CC#CC2CCCC2)CC1 2274115675 INUCKMUERCEYSI-JCNLHEQBSA-N 260.421 4.746 30 10 CJEE C=CC1(C[C@@H](CCC2CC(C)C2)NCCC)CCC1 2274601411 SDEDKVYTHDJQBD-OFLPRAFFSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1csc(C)c1 2276157749 BVXKGXBITAXFBQ-MRXNPFEDSA-N 281.465 4.600 30 10 CJEE C/C=C/CCC[C@@](C)(CCCCCCC)OCCN 2276512769 VPMIYWNDRNZTAU-UABRLCRWSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@](C)(C=C1CCC1)OCCCN 2276949915 JLSUIWKAKQNYIW-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C[C@@H](C)CC 2278174261 UEKDWJCXSBCYBA-RDJZCZTQSA-N 270.457 4.883 30 10 CJEE CCCCCCCCCCC(=O)C1(OC)CC(CF)C1 2281170444 NMEMSGHFWYILEW-UHFFFAOYSA-N 286.431 4.851 30 10 CJEE CN[C@@H](CCCC=CC#CC(C)(C)C)c1ccccc1 2284071298 QWRMOBOEYQRDKI-SFHVURJKSA-N 269.432 4.723 30 10 CJEE CCNC[C@]1(CC=CC#CC(C)(C)C)CCCC12CC2 2284075870 KVUUXSNKLGZDRP-IBGZPJMESA-N 273.464 4.542 30 10 CJEE CCCN[C@@H]1CC[C@@H](C)C[C@H]1CC=CC#CC(C)(C)C 2284086605 SYDBKVRJBRUBTH-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1 2284112024 LIKVKAWYYQNAPL-SCTDSRPQSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCSc1nc(C2CC2)ncc1N 2287182028 MIJJZHWCSUJDCU-UHFFFAOYSA-N 291.464 4.555 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@@H]1NCC 2287405534 FIJKDFPNUCATTA-YESZJQIVSA-N 287.463 4.622 30 10 CJEE CCCN[C@H](C#CC1CCCC1)CSC1CCCCC1 2289698698 UTJQKZDVSIBSMS-QGZVFWFLSA-N 293.520 4.614 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)c1c(C)coc1C 2289787915 QGGWRLNAIWUTLH-KRWDZBQOSA-N 273.420 4.521 30 10 CJEE Cc1cccc(N[C@@H](C#N)C2CC(CC(C)(C)C)C2)c1 2289964210 VKQPPOAKHPNBPA-DQPZFDDXSA-N 270.420 4.762 30 10 CJEE CC[C@H]1NC(=NCC2CC(CC(C)(C)C)C2)S[C@@H]1CC 2290039936 LCQOFCYSJIBGCE-NEXFUWMNSA-N 296.524 4.698 30 10 CJEE C=CCCCC[C@H](CC1CCCCCC1)OCC(=O)O 2291469794 UAWHQPOHZMDZCW-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1cscc1C 2291764959 CCFBHGSQPGNTQL-OAHLLOKOSA-N 296.432 4.725 30 10 CJEE C=CCCCCCCCC[C@@]1(OCC(=O)O)CC[C@H]1C 2292485555 KIQDRWUSZAJADJ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C1CCC(C[C@](CC)(CCCC)OCC(=O)O)CC1 2292721995 LWKQRHUGGNWJBE-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCC2(CCCC2)C1 2292900032 ULIVXUOBXBNWFG-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1CCC(F)(F)C1 2293197259 TXVPRWQGWQSQQK-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H]1CCC[C@H](C)C1 2293208531 MMEWGCFOZHXQST-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@H](OCCN)[C@@H]1CCC[C@@H](CC)C1 2293884231 IYVGPNWIZUDOBU-KURKYZTESA-N 281.484 4.683 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccc3cc(Cl)ccc3n2)C1 2294976302 IALULIKLKGLGEH-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CCC)C1CC1 2295521602 DGBCPXXALDEMLR-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCC[C@H](CC)CSC[C@H]1CCC[C@](C#N)(NC)C1 2295763849 MTBWGVSBFDWICJ-ULQDDVLXSA-N 296.524 4.608 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1ccc(Cl)cc1Cl 2302845639 JVOGYTHUGDPXEE-GXTWGEPZSA-N 270.203 4.610 30 10 CJEE CCCC[C@@H](CC)CSC[C@@]1(CS)CC1(F)F 2306942066 BPLZZRSFAVFWJO-NEPJUHHUSA-N 282.465 4.891 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2C[C@H]1C[C@@H]2N 2308994418 UELZSSXNTFPNDN-YHUYYLMFSA-N 255.421 4.593 30 10 CJEE CC[C@@](C#N)(C[C@H]1CC[C@@H]2[C@H](C1)C2(F)F)C(C)C 2310495595 ZEAHSUSLTLNVTD-CRWXNKLISA-N 255.352 4.634 30 10 CJEE C[C@@H](CC1CC1)C1(C=O)CC(C)(C)CC(C)(C)C1 2313672856 MSPCPGRHPKOJCS-ZDUSSCGKSA-N 250.426 4.844 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(F)c(C)c1Cl 2316591978 JNJXDXOCCPBYBG-AWEZNQCLSA-N 269.791 4.794 30 10 CJEE N#C[C@]1(CCC2(C(F)(F)F)CC2)CCCC12CC2 2321547746 QTEYEAZAQYAWHP-CYBMUJFWSA-N 257.299 4.583 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@H]2C=C[C@@H]1C2 2333365090 BZDDLLCDVJQLGU-KSZLIROESA-N 261.453 4.977 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H](C)CC1CCC1 2335201222 SBVGUCDWRRZJSH-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCC[C@H](CS)COCc1ccc(F)cc1C1CC1 2339219241 HITXGJQHHVXVIN-LBPRGKRZSA-N 282.424 4.566 30 10 CJEE C=C1C[C@@H]1[C@@H](CC[C@H]1CCCCC12CC2)NCCC 2341884609 LBHODJZGVXRBHA-IXDOHACOSA-N 261.453 4.681 30 10 CJEE C=C(C)CCNC[C@H](c1ccccc1)C1CCCC1 2342479332 GAVRYQLGEFIBIP-GOSISDBHSA-N 257.421 4.516 30 10 CJEE C=CC1(C[C@@H](N)c2cccc(C3CCC3)c2)CCC1 2343783284 CISSKIMXKHPMCW-QGZVFWFLSA-N 255.405 4.700 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(F)ccc(C)c1F 2344343783 FURSNDGGSKPFLW-OAHLLOKOSA-N 267.363 4.526 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@H](C(C)C)C1 2351999468 YFFAQNMYOQNDNX-XJKSGUPXSA-N 282.449 4.520 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCCC(C)(C)C1 2352214838 NTKLSEOYZJJJHN-MRXNPFEDSA-N 282.449 4.664 30 10 CJEE CSc1cc(NCC2(C)CCCCC2)ccc1C#N 2353831718 ULWVXRQRKCAXJR-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2354794143 HOOYFNJXXSDADW-RDRUIREHSA-N 284.390 4.699 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CCC[C@@H]2CC[C@@H]21 2360092798 PAHAFIBYBCPPSL-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCc1ccc(NCc2ccc(C#N)cc2)cc1 19986380 MMUPJYFYIAMXQX-UHFFFAOYSA-N 278.399 4.903 30 10 CJEE CC(C)(C)c1ccccc1Oc1ccc(C#N)cc1F 36886829 MBZVEGUUHJUVDA-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 37936739 YMKZEQUEWPQPRE-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE CCCN[C@@H](CC)c1ccc(-c2ccc(C#N)s2)cc1 50267016 QNNWWOREPGTRCM-INIZCTEOSA-N 284.428 4.737 30 10 CJEE CCCCCCCCCOc1ccc(C#N)cc1OC 59089307 BKEUFARBXMQPLS-UHFFFAOYSA-N 275.392 4.696 30 10 CJEE N#CC1(Cc2ccc(Cl)s2)CCCCCC1 83779012 IFSGZKGGBJONQZ-UHFFFAOYSA-N 253.798 4.808 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(Br)cs1 85063574 ZWHSWALRRKWRHN-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCCCCCOC1CC(CNC)C1 91471324 DEMCEYBSGUHEHY-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C[C@@H]1C[C@@H](OCCCCCCS)CC(C)(C)C1 94583995 PEQUNZCFDZPREY-ZIAGYGMSSA-N 258.471 4.708 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1N 103990141 NDDYQUCXNKHZSV-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)c1ccccc1 105340445 GYIQPXCFHVSUDK-LPQFERQCSA-N 254.373 4.808 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(F)ccc1OCCC 107681991 BRVUBPMKCOZXFH-KBPBESRZSA-N 262.368 4.768 30 10 CJEE CCCCCCCCNCc1ccc(-c2ccn[nH]2)cc1 109925118 REPRPOHWIHPABN-UHFFFAOYSA-N 285.435 4.527 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1O 110022452 CKOIMAWZQAQUQU-YESZJQIVSA-N 284.484 4.939 30 10 CJEE C[C@H]1C[C@@H](Oc2ccc(Cl)cc2C#N)CC(C)(C)C1 110261801 CYIRXDUUKINXBE-SMDDNHRTSA-N 277.795 4.805 30 10 CJEE CCCCCCC[C@H](CSc1cccc(F)c1)NC 117398343 WPHBMLCBMXFXGL-OAHLLOKOSA-N 283.456 4.866 30 10 CJEE CCCCCCC[C@H](NCC)c1c(F)cccc1F 118713172 DETFUHLCWFVOMK-HNNXBMFYSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](CCC)OC 126839622 JNLJKJDVZXOLQN-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CCOC1)NC 130294451 UMNXMCZIWGHDRA-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1CCNCC1 131680455 XVUMHPROHCPYAP-GOSISDBHSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@H](O)c1snnc1C(C)C 135352555 JRJCBZMQLAZGHB-ZDUSSCGKSA-N 284.469 4.836 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](OCC)C(C)(C)C 159780454 GZUYTVWCTHZQSV-LSDHHAIUSA-N 258.446 4.549 30 10 CJEE O=C(C1=CCCCCC1)c1c(F)cccc1Br 160771485 WPHWQKMOISMELF-UHFFFAOYSA-N 297.167 4.661 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@@H](NCC)CCC2 164270798 QLWJBSNJOBJKOI-SFHVURJKSA-N 276.468 4.836 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 164515484 SPNYLSJNNWPHQY-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC=C 191429195 PYHWESJVMATUTJ-CQSZACIVSA-N 286.419 4.625 30 10 CJEE CCCCCCCCO[C@H](CCC)CNC(C)(C)C 211432160 WYDHFDPXSQQXAN-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 226590435 PCDIKLFGBSPSOS-ZIBATOQPSA-N 296.336 4.814 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H](C)[C@@H](C)C2)C1 228890906 GOLDBZOLRDXQTQ-CWQOZTLDSA-N 290.495 4.709 30 10 CJEE CCCCCCCCCCCCC(=O)CC1OCCO1 232927636 QNVOROWDWWEEMR-UHFFFAOYSA-N 284.440 4.630 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1Cc2ccccc2N1 232949057 QIBZNSYEGVFPSI-QZTJIDSGSA-N 275.436 4.525 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](OCC)C(C)C 233163946 ASYDONUZYHNDAB-IAGOWNOFSA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@H](NC)c1c(F)ccc(C)c1F 234434113 JIUHRUBCXSOSHT-AWEZNQCLSA-N 267.363 4.670 30 10 CJEE C=CCCCCCOc1cc(F)ccc1Br 236211723 HKXNTWYYQRGJNP-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C=CCCCCC[C@@H](O)CCCc1cccs1 236547711 DCVWMDPYULKHGW-CQSZACIVSA-N 252.423 4.568 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@H]1[C@@H](C)CC 250829366 PSTFEICONPNCDP-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE N#CC1(c2ccc(Br)cc2Cl)CCCCC1 260281297 BAWZXYJQGBYEKQ-UHFFFAOYSA-N 298.611 4.828 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CN)CC[C@H](CC)C1 300518200 KEKZNOMBISWKKP-OKZBNKHCSA-N 283.500 4.643 30 10 CJEE N#CC1(c2ccccc2OCc2ccccc2)CCCCC1 309631218 IIHXDAKREXEAAE-UHFFFAOYSA-N 291.394 4.991 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)cc1 311346288 CEBUAAHSFRFCQQ-INIZCTEOSA-N 277.839 4.820 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 312806642 RJTZFDUWGDRBQS-WFASDCNBSA-N 281.321 4.968 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(C(F)F)cc1N 312843153 NWDLQPBDEKMEIN-UHFFFAOYSA-N 294.688 4.524 30 10 CJEE CO[C@H](CC1(C=O)CCCCCCC1)c1ccccc1 316782871 VWGIVJZYMWIAOZ-QGZVFWFLSA-N 274.404 4.694 30 10 CJEE CC(C)(C)C[C@](C)(C#N)Nc1cccc(Br)c1 384912667 QAFBEAYSLCKYKU-CQSZACIVSA-N 295.224 4.579 30 10 CJEE CCCCCCC[C@]1(F)CCC[C@@H]1[C@H]1CCCCN1 385929751 BGZAIPVLQQKFRI-ZACQAIPSSA-N 269.448 4.997 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CCC)C(C)(C)C)C1 387315892 RIMKPECWHLYNQO-PMPSAXMXSA-N 264.457 4.605 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@@H]1CCCOC1 389007406 RRSZCMWPCIYPQJ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCC[C@]1(O)CSC[C@H]1C 393885409 RMUQPPNJTOQUTO-CABCVRRESA-N 258.471 4.631 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccccc1Cl 398118720 QDFIBBHANIKUPC-OLZOCXBDSA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCCCN1C[C@H](CC)[C@@H](O)C1 400284500 KRXMXBQCYJUTIR-ROUUACIJSA-N 283.500 4.610 30 10 CJEE C=C[C@@H](C)Nc1cc(Cl)c(Cl)c(Cl)c1 404187963 CXINHCMPDNRTRJ-ZCFIWIBFSA-N 250.556 4.633 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](C)OCc1ccccc1 404520165 VPDNBGKZGGPJEM-AEFFLSMTSA-N 277.452 4.670 30 10 CJEE Cc1ccc(CNc2cc(C#N)cc(F)c2C)c(Cl)c1 404616357 WKAGEBLCKSMROU-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C#CCCCCC[C@H](CCCCCCCC)NC 686686823 RKKMANAURZBEMF-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](CN)C1CCCC1 686980676 OGOJYBPNMMHDIC-MSOLQXFVSA-N 283.500 4.643 30 10 CJEE Cc1ccc([C@@H](C)/N=C2/NC3(CCCC3)CCS2)s1 687324159 VGFYMKUVJRCDJJ-GFCCVEGCSA-N 294.489 4.513 30 10 CJEE N#Cc1ccnc(Nc2ccc(C3CCC3)cc2)c1Cl 690282486 CVWQJCXPZPJTKL-UHFFFAOYSA-N 283.762 4.618 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(C)cccc1C 692273666 WHWUPYFABGIOQW-SJLPKXTDSA-N 257.421 4.528 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(C)c(F)c(C)c1 694896426 WTLSFATUOARPDJ-INIZCTEOSA-N 263.400 4.840 30 10 CJEE C=C(CC)C[C@H](N)c1cc(C(F)(F)F)ccc1Cl 695048769 LEFGPVIBFYAXGH-LBPRGKRZSA-N 277.717 4.715 30 10 CJEE CN(CCCCCCCCCS)C[C@H]1C[C@H]1C1CC1 698363238 GJECOLBHIMLXKE-SJORKVTESA-N 283.525 4.625 30 10 CJEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCC1 698907356 AQZQARZQYQZTJL-UHFFFAOYSA-N 294.439 4.640 30 10 CJEE CC1(C)CC(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)C1 701484584 BROCIKXDJVYWKG-LBPRGKRZSA-N 296.197 4.606 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc2ccncc2c1 702706142 UXRSQYBPSJSUCQ-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(C)ccc1C 703955976 WOHXTUGLEJWXBQ-MRXNPFEDSA-N 259.437 4.946 30 10 CJEE C=CCCC(C)(C)CNc1c(Cl)cc(N)cc1Cl 704008932 CLGBNVRRQCUFJU-UHFFFAOYSA-N 287.234 4.980 30 10 CJEE Cc1ccc(C(F)(F)F)cc1C(=O)C1=CCCCC1 713215410 HJKKTWGOJBJOHT-UHFFFAOYSA-N 268.278 4.697 30 10 CJEE C=CC[C@@H](C)Nc1cc(C(F)(F)F)ccc1Cl 715037036 BPZBIQJUKFNSPU-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CCC[C@@H](C)C1 715786496 GCFUESUNHYHXKI-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE N#Cc1ccc2c(C(F)(F)F)c(C(F)(F)F)sc2c1 725324666 OVUUQAMBJQKZPT-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE C=CCCC[C@H](N[C@@H](C)c1nccnc1C)c1ccccc1 883327418 YIEIFFIDBSAXLT-WMZOPIPTSA-N 295.430 4.533 30 10 CJEE C=C1CCC(C(=O)N(Cc2cccc(C)c2)CC(C)C)CC1 1124846659 GATIPISSJVUOOL-UHFFFAOYSA-N 299.458 4.726 30 10 CJEE C=CC1(CC(=O)O[C@H](C)c2ccc(C#N)cc2)CCCCC1 1126714674 NDQPRQWOLUKKMN-OAHLLOKOSA-N 297.398 4.689 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(COC(C)(C)C)cc1 1126923342 WEOFXRFSXIRCAM-CQSZACIVSA-N 289.419 4.543 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 1132193230 IUVMWBCKDYJVQR-ZWKOTPCHSA-N 299.458 4.679 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CCc2ccccc21 1182781647 MPJMBBLNBNSVJM-MAUKXSAKSA-N 257.421 4.789 30 10 CJEE C=CCC[C@H](CCC)N[C@H](c1ccccn1)C1CCC1 1182961213 WSDRZGGSYDUYIU-WMZOPIPTSA-N 272.436 4.647 30 10 CJEE C=C(CC)CN1CCC(c2nc(C(C)(C)C)cs2)CC1 1197937595 RGOJBENSQHABRZ-UHFFFAOYSA-N 292.492 4.586 30 10 CJEE C=C(C)c1cccc(NCc2c(F)cc(C)cc2F)c1 1203961485 QUZKHCOBOSHBHT-UHFFFAOYSA-N 273.326 4.918 30 10 CJEE C=CCCCCCCCCNC(=O)N1CCC(C)=C(C)C1 1229460810 SKOMIALAKUOGIY-UHFFFAOYSA-N 292.467 4.655 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@H](C)CCCCCC 1289492950 QIKHSEOFFOHHBY-CVEARBPZSA-N 265.441 4.550 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1ccccc1Cl 1307949497 GIFSJWASTXYRLO-MELADBBJSA-N 261.796 4.584 30 10 CJEE C=CCOc1cccc(CNc2cccc(C(C)C)c2)c1 1308216002 UBSOMXDBXNGLJO-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE C=CC[C@H]1N(C[C@H](C)c2ccccc2)CCCC1(C)C 1308725628 WZVDKGMRSFZWIL-FUHWJXTLSA-N 271.448 4.857 30 10 CJEE C=C(C)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl 1349757790 RYGLAHGGVFRKSV-UHFFFAOYSA-N 293.577 4.909 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CC[C@H](C)C[C@H]1C)c1ccccc1 1456640193 GHDKIYIRWXEAIE-CIRFHOKZSA-N 286.415 4.714 30 10 CJEE CCCCCCCCN(C)Cc1cccc(N(C)C)c1 1459834940 KGQMVVGGDLMNCL-UHFFFAOYSA-N 276.468 4.545 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)nc1Cl 1460412916 SRCHHACXIFHVNR-DGCLKSJQSA-N 299.245 4.613 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC[C@@H]1C[C@H]1c1ccccc1 1461571431 QWWCMUCZKRYTKO-ACRUOGEOSA-N 291.438 4.567 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C)cc1C 1465127518 OMLZMHBDIVAFBV-DOTOQJQBSA-N 286.419 4.560 30 10 CJEE C=CCCC(C)(C)CNC(=O)NCC1(CC)CCCCC1 1469704065 OOTJGIBBMHPMOU-UHFFFAOYSA-N 294.483 4.639 30 10 CJEE CCCCCCCN(C)[C@@H](C)c1ccccc1F 1473111947 KVQQPXZPLHQQMO-AWEZNQCLSA-N 251.389 4.789 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(OCC(C)C)cc1 1474085824 GRAOENYGRZJMKD-MRXNPFEDSA-N 275.436 4.556 30 10 CJEE C=CC[C@H]1N(C(=O)CCCC2CCCC2)CCCC1(C)C 1530839135 IUISUTKBWLWQNY-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 1534845667 VWPLPGCCACWNQD-ULQDDVLXSA-N 299.458 4.837 30 10 CJEE C=CCC(C)(C)C(=O)N1CCC(CC2CCCCC2)CC1 1536608489 XTHVSCCOHZJAKO-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=C(C)CNCc1ccc(-c2cccc(Cl)c2)s1 1560469287 CPPFLHATYRJXHP-UHFFFAOYSA-N 277.820 4.734 30 10 CJEE C=CCCCCCN(C)C(=O)c1[nH]ccc1-c1ccccc1 1586583395 JTHMJTKIOMJAOK-UHFFFAOYSA-N 296.414 4.500 30 10 CJEE Fc1cccc(Cl)c1C#Cc1ccc(Cl)cc1 1614826260 KIWLCZHMHQFOGD-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CCC1(NCc2cc3ccccc3cc2OC)CCCC1 1621006221 BXYCIUSPTVVPFM-UHFFFAOYSA-N 295.426 4.827 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H](C/C=C/C)C2)c1 1628034483 ZAXCQIRDCQMCAV-DWTRPJMMSA-N 298.430 4.930 30 10 CJEE C=CCCCNC(CC)(CC)c1ccc(Cl)cc1 1644787206 DMCLHDRZYMWEIG-UHFFFAOYSA-N 265.828 4.911 30 10 CJEE C=CCCN[C@@H](Cc1ccccc1)c1sccc1C 1653236878 LSZKYFCCGONRPL-INIZCTEOSA-N 271.429 4.506 30 10 CJEE C=CC[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 1654174783 PFDMQHJYKDPZNQ-CQSZACIVSA-N 290.476 4.589 30 10 CJEE CC#CCN(c1ccc(Cl)c(Cl)c1)C1CCCC1 1655320933 ZPVJQFZBQPPYHN-UHFFFAOYSA-N 282.214 4.766 30 10 CJEE C=CCCCCCCCNCc1ccc(F)cc1F 1656367058 VYVWGYSHYLKBMZ-UHFFFAOYSA-N 267.363 4.581 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 1657533248 MJVWZCQIJXVMCL-HOTGVXAUSA-N 296.458 4.668 30 10 CJEE C=CCN(Cc1ccc(C)c(C)c1)Cc1cccs1 1659302325 OKIHZHDEOWLICT-UHFFFAOYSA-N 271.429 4.553 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H](C(C)C)C2)c(Cl)c1 1665800918 YBFKTFUGFLFYLB-GJZGRUSLSA-N 275.823 4.948 30 10 CJEE CC#CCCCC[C@H](NC)[C@@]1(C)CC[C@H](C)C1(C)C 1885228293 MLGQBLQIGCWPKT-XYJFISCASA-N 263.469 4.621 30 10 CJEE CC#CCCCC[C@](O)(CC(C)C)c1ccccc1 1885236709 LTABZRHXOGNMPK-SFHVURJKSA-N 258.405 4.504 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCO[C@@H]1C)NCC 1885728332 WPMFTLDQNUEIMY-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](CC[C@H]1CCO[C@H]1C)NCC 1885728335 WPMFTLDQNUEIMY-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C#CC[C@H](C[C@]1(O)CCC[C@@H](CCC)CC1)C1CC1 1887086463 DKDHLRWKESLSIG-NXHRZFHOSA-N 262.437 4.538 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C1CCC(C)(C)CC1 1887453620 SPLJHFSSIDGJLP-WBVHZDCISA-N 263.469 4.621 30 10 CJEE C#CC[C@H](C)CC1(CNCCC)CCC(CC)CC1 1887475328 MKDZWFCYGZVFDT-AOCRQIFASA-N 263.469 4.622 30 10 CJEE C=C(c1ccccc1)[C@H](O)[C@H]1CCCC(C)(C)CC1 1888711780 MDTYKNFAEFAYAI-IRXDYDNUSA-N 258.405 4.667 30 10 CJEE C=C(c1ccccc1)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 1888711920 NUTQATUGFYDSDQ-MRXNPFEDSA-N 293.193 4.914 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H](C)COCc1ccccc1 1892646135 TVNQOHAYXMPEHL-UHOSZYNNSA-N 289.463 4.549 30 10 CJEE C=CCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 1905165770 NMCFBLSHYDVCST-GFCCVEGCSA-N 258.192 4.529 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(O)CC[C@@H]2C[C@@H]2C1 1917679235 HCCALVYPNZXCBM-JFIYKMOQSA-N 280.452 4.637 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccnc1C(F)(F)F 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COC[C@@H]1CC[C@H](C[C@@]2(C#N)CCCCC23CCC3)C1 2181909453 OAFMQGXPYOMHPU-LZLYRXPVSA-N 275.436 4.693 30 10 CJEE C=C1CC(C[C@@H](O)c2ccc(-c3ccc(F)cc3)s2)C1 2182127054 ALLFFBBVWCYFBK-OAHLLOKOSA-N 288.387 4.944 30 10 CJEE CCCCCCC[C@@H](C)n1cc(CN)c(C(C)(C)C)n1 2183900448 DSSBNFGGUCVRJN-CQSZACIVSA-N 279.472 4.561 30 10 CJEE CCN(c1ccc(F)cc1)c1cc(Cl)c(F)cc1C#N 2184409378 BSAOPTBVCJULIJ-UHFFFAOYSA-N 292.716 4.648 30 10 CJEE N#Cc1ccc(N2[C@H]3CCC[C@H]2CC2(CC2)C3)c(Cl)c1 2186322138 JQZAXSLPXZPPEQ-KBPBESRZSA-N 286.806 4.513 30 10 CJEE CCCCCCCCCCO[C@@H]1CCC12CCNCC2 2187449044 LSZXNDKNAQXBHV-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE C[C@@H]1CC[C@H](CNC(C)(C)C)[C@@H](CC#C[Si](C)(C)C)C1 2187468408 OCMQQVDKPHODMZ-IXDOHACOSA-N 293.571 4.698 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@@H]1CCC[C@H](CC)C1 2187477472 XCZHJHADHZNURQ-RCCFBDPRSA-N 293.571 4.842 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)c1ccc(C(F)F)cc1 2187480904 OZFRCHCVNWPPSN-HNNXBMFYSA-N 295.449 4.546 30 10 CJEE CC1(C)CC[C@]1(CC#CC1CCCCC1)CNC1CC1 2188512477 FRSGGUKZAJQXHV-LJQANCHMSA-N 273.464 4.519 30 10 CJEE N#C[C@@]1(C[C@@H]2CC3(CCCCC3)O2)CCCC12CCC2 2189583708 QLRCWWQHXCOJCU-WBVHZDCISA-N 273.420 4.732 30 10 CJEE CCCC1(CN(C)[C@@H]2C[C@H](CC)CC[C@H]2C#N)CCC1 2189671396 CAKVXSOQGCNDOV-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CC#CCCC[C@H](NCCC)c1cc(F)c(F)cc1Cl 2194064051 MVWZJZNLDZDNMK-INIZCTEOSA-N 299.792 4.853 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2195535787 SXPREJQNVIBNCT-XHSDSOJGSA-N 287.438 4.960 30 10 CJEE CCCCCCCCCCN1C(=O)C[C@@H]2CCCC[C@@H]21 2195685047 MJCHJSUHRJBUPI-IRXDYDNUSA-N 279.468 4.918 30 10 CJEE C#CC[C@@H](C[C@H](N)C1CCC(C(C)(C)C)CC1)C1CC1 2196820215 VMZANPCMXNROST-IKJBURDNSA-N 275.480 4.606 30 10 CJEE C#C[C@@H](N[C@H]1CCCC[C@H]1C1CCCCC1)C(C)(C)C 2197808715 VZACGDSCOSGKJZ-OKZBNKHCSA-N 275.480 4.763 30 10 CJEE C=C1CC(CNCCC)(C[C@@H]2C[C@H]2c2ccccc2)C1 2200335262 UHSXKRABVNCXJE-ROUUACIJSA-N 269.432 4.516 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=NC2CCCCCCCCC2)N1 2201223267 CQVASHCWEXIKJL-HOCLYGCPSA-N 296.524 4.987 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@H]2CCCC[C@@H]21)C1CCCCC1 2203800756 NFNFANVKHSHLJL-XGXHKWSGSA-N 273.464 4.517 30 10 CJEE CCCCCC#CC[C@]1(CNC2CC2)CCC(F)(F)C1 2203807710 PIIMIQPVJCNMOH-INIZCTEOSA-N 283.406 4.518 30 10 CJEE CCC[C@H](CS)CN(C)CC1CC2(C1)CC1(CCC1)C2 2204188894 ZLWXBWSBNGYLBZ-HNNXBMFYSA-N 295.536 4.625 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc2c(C)nn(C)c2s1 2206893075 WXAMYPIEJCCVEW-CQSZACIVSA-N 292.448 4.503 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@H]1CCCc2sccc21 2206895144 QXFAZCHBTFEVAD-ZBFHGGJFSA-N 292.492 4.527 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1CC12CC(F)(F)C2 2206902755 MQTUPSQUIRFWPQ-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCCN(C)CC[C@@H]1CC[C@@H]1OC 2207382596 UBBHICVSLFMWLH-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCCN1CCCC[C@@H]1[C@H](C)O 2207414870 QGKABWHQZVJBOG-ZWKOTPCHSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1(CF)CCC1 2207439942 CBQRDKGNSHZKFV-INIZCTEOSA-N 284.463 4.655 30 10 CJEE C=CCCCCCCCC[C@H](CCN(CC)CC)NC 2207440383 XLVLQBRPPBQLFS-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H](CCC)COC 2207442696 UAMHWOQMJQAIOZ-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NCC)[C@H](C)[C@@H](C)CC 2207446499 UOGMQSKRSXLNOD-XWTMOSNGSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@@H](O)[C@@]1(C#N)CCCCC12CC2 2207455102 ALKCIQUPUNNPCI-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE C=CCCCCCCCCCC1(O)[C@@H]2[C@@H]3C[C@@H]4[C@H]([C@@H]32)[C@@H]41 2208404953 HTSXNBAYKJIBTD-TYENPDHQSA-N 274.448 4.556 30 10 CJEE C=CCCCCCCCOc1cncc(Br)c1 2214620252 XYRHLVKKHPNLTM-UHFFFAOYSA-N 298.224 4.750 30 10 CJEE C=CCCCCCCC[C@H](N)c1ccc(Cl)cn1 2220090589 XLRGSLJRBDIVEH-AWEZNQCLSA-N 266.816 4.652 30 10 CJEE C#CCCCCC[C@@H](NC)c1sc(C)c(C)c1C 2221237292 RSUPIHMNSVJSNJ-OAHLLOKOSA-N 263.450 4.518 30 10 CJEE C=CCC[C@H](C)n1c(S)nc2cc(Cl)c(C)cc21 2221260455 UEXXTKBDIMMUNR-JTQLQIEISA-N 280.824 4.814 30 10 CJEE CCCCCCCCCO[C@H]1CCC(=O)[C@@H]1CC 2223262938 AYKRDSUOTVNIGQ-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CC[C@@H]1C(F)(F)F 2224380852 TXKVYLPEBUOMPC-RDBSUJKOSA-N 279.390 4.914 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2225333569 XHZFVDVTYRXMGW-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2225358481 AAINVZRWRYWBRP-UYTYNIKBSA-N 262.437 4.988 30 10 CJEE CC1(C)C[C@H]1CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225692122 USHRTQUMYDFSJL-BXKDBHETSA-N 296.197 4.606 30 10 CJEE CN(CCCCC1CC1)CC1(CS)CCCCCC1 2225712651 SKFWFWZOJGTPHY-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE N#Cc1ccc(Cl)cc1OCCCCCCC1CC1 2225779364 BDQAOOUYIFOWNG-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCC[C@H]1OCC 2227288945 XPTUKQIFJMYLAG-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=C[C@@H](CCCCC)OCc1cc(CNCC)cs1 2231007856 DBTPEVMDOSRCQU-HNNXBMFYSA-N 281.465 4.509 30 10 CJEE Cc1ccc(OCc2ccc(Cl)cc2Cl)c(C#N)c1 2231238158 VRWQMAZWWJRWNB-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(C2CCC2)cc1 2231695759 CZPQILZQNOCTLG-SFHVURJKSA-N 257.421 4.961 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CC[C@@H](OC)CC1 2231942953 YVBOSLYYGJEESQ-ZACQAIPSSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCCCOc1ccc(Cl)c(CO)n1 2234053068 FWLJWNSVNPSMFA-UHFFFAOYSA-N 297.826 4.523 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ccccc1N 2235518162 DHJAMYXDXCMFCE-GOSISDBHSA-N 274.452 4.836 30 10 CJEE C=CCCCCCCC[C@H](O)c1ccc2c(c1)OCC2 2235522303 SFXXEPMYTPZBSW-KRWDZBQOSA-N 274.404 4.572 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1cncc(F)c1 2235527214 SQYMAGLZZPHNTL-KRWDZBQOSA-N 278.415 4.788 30 10 CJEE C=CCCCCCCCN1CCC(CCOCC)CC1 2235534338 GIWMNWOGIPLHKN-UHFFFAOYSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 2235535926 RLUKBNMGVSNPBN-ARFHVFGLSA-N 285.422 4.736 30 10 CJEE N#Cc1cccc(NC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 2238874273 JHCSVMASZAYSEZ-IKGGRYGDSA-N 268.404 4.577 30 10 CJEE C[C@H]1CC[C@H](NCCC#CC(C)(C)C)c2ccccc21 2239109436 AGVUKXQGQBWSIT-YJBOKZPZSA-N 269.432 4.654 30 10 CJEE CC(C)N[C@@](C)(C#N)CSCCCCCCCC1CC1 2239360666 WPYWKIBKWFIQEM-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NCCC)C(C)(C)CC 2239511214 SPBJCROCYDMSIO-SJORKVTESA-N 283.500 4.942 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C 2239511343 UKZVLOCTHBIBMA-HSFUPAIVSA-N 281.484 4.551 30 10 CJEE O[C@H](C#Cc1cccc(Cl)c1)c1ccc2sccc2c1 2239556205 GKKLBTHIOXIVJH-MRXNPFEDSA-N 298.794 4.640 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H]1CC[C@@H](C)C1 2240556455 PVZBBRRCSWUKJP-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H]1Cc2ccccc2N1 2240622672 WJHDFNJVVDOINV-QZTJIDSGSA-N 275.436 4.525 30 10 CJEE CCCCCCCC[C@H](C)NCc1ncoc1C(F)F 2240657553 MOUJQSVNPIPIJD-LBPRGKRZSA-N 288.382 4.841 30 10 CJEE C=C(C)CC[C@@H](NCC)[C@](C)(O)CCCCCCCC 2240666453 MUYPEXWWYSMPQL-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(Br)c1 2244627144 OJCMNWMORFWTGZ-UHFFFAOYSA-N 281.193 4.768 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2249729851 OPOXHEGFDZDHLE-CQSZACIVSA-N 272.219 4.919 30 10 CJEE C=CCCCSC[C@@H](N)c1c(Cl)cccc1Cl 2250017264 WECWNJIUPOEZMM-GFCCVEGCSA-N 290.259 4.693 30 10 CJEE C=CCCCSc1nc(Cl)cc2ccccc12 2250063006 SIQGBIWQKSVWAI-UHFFFAOYSA-N 263.793 4.947 30 10 CJEE C=CCCCCCCCS[C@@H](C)CNCCC 2250063413 VGNAJOXMRBHICM-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C[C@H]1C[C@H]1CCCCOCCCCCCCS 2252618594 KAKCAGXIODMKTP-LSDHHAIUSA-N 258.471 4.710 30 10 CJEE C=CCC[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2255413323 VJUMPBZQIZDKED-ZDUSSCGKSA-N 288.218 4.619 30 10 CJEE C=CCCCSCc1csc(CNCC(C)C)c1 2258993030 OPEHUHVVDSYLCY-UHFFFAOYSA-N 283.506 4.693 30 10 CJEE CN(CCCCCCCCCS)[C@]1(C)CC1(C)C 2260323996 KPGKAONLJCSNOE-MRXNPFEDSA-N 271.514 4.767 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCCCS 2263203264 MVUQSYZBRKGAGV-PMPSAXMXSA-N 269.498 4.520 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)C#N 2263718391 QMIPCFXKIWDMHB-OAHLLOKOSA-N 252.446 4.655 30 10 CJEE C=CCCC[C@H](NCC)c1ccc2ccsc2c1 2263905641 CVNGMOSATMXAGO-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=C1CC(C=O)(CCC23CC4CC(CC(C4)C2)C3)C1 2265113322 KIILVFUTTJUUIE-UHFFFAOYSA-N 258.405 4.518 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)C[C@H]1CC12CCC2 2265196686 XTXBNEWDONTQRE-DNVCBOLYSA-N 283.481 4.750 30 10 CJEE CCCC(CCC)CNc1cc(C)c(C#N)c(C)c1 2265855672 XKEIVFQJSGPHBQ-UHFFFAOYSA-N 258.409 4.803 30 10 CJEE C#CC[C@@H](C[C@@H](O)c1cc(Cl)c(Cl)cc1C)C1CC1 2270977304 WYKWMFQYGAMUJD-BLLLJJGKSA-N 297.225 4.775 30 10 CJEE C=CCCCCCCCSC[C@@H](N)[C@H]1CC12CCC2 2271598158 DHOMBQCDHXYIQI-HZPDHXFCSA-N 281.509 4.764 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CC2(C1)CC2(C)C 2271832747 GLPIJQJHUVMSTE-UPTPFMHGSA-N 263.469 4.927 30 10 CJEE CCCCCCCC(=O)c1ccnc(C(C)(C)C)c1 2273567213 OWWZDCOTNDJZCY-UHFFFAOYSA-N 261.409 4.922 30 10 CJEE C=CCCC[C@H](NCCC)c1csc(C(C)(F)F)n1 2273702884 HEKSZZQTDBBHSR-NSHDSACASA-N 288.407 4.652 30 10 CJEE CCCCCCCCNCc1ccc(C)c(F)c1F 2273910235 HOGHJKXNHSGALL-UHFFFAOYSA-N 269.379 4.723 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(N)C#CC1CCCCC1 2273997716 ZVWIEZUANDSTBC-QZTJIDSGSA-N 261.453 4.504 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1ccc(SC)s1 2274002431 YUCNPHQIGNEYQA-AWEZNQCLSA-N 293.501 4.704 30 10 CJEE CC1(C)CCC(C)(C)[C@H](Nc2cccc(C#N)c2)C1 2274484807 QIEZEBAUHLERMK-OAHLLOKOSA-N 256.393 4.575 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)CCC)OCCN 2276466535 PUDNOHXXQLTOTG-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCCCC1(OCCN)CC(CCC)C1 2276575805 PGQXRNJBWQMUHA-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)C(C)(C)CO 2278229731 OLBXWZBMJNEJRO-CVEARBPZSA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@H](C)OC1 2278244746 KOAZPKZQTVWKOO-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CCC[C@@H](C)[C@](O)(c1ccccc1)C1CCCC1 2278278959 IRKVBPQEEZKTMR-QAPCUYQASA-N 258.405 4.667 30 10 CJEE CCCCN(c1ccccc1)c1c(F)cccc1C#N 2280475810 GCPAMBFLMHUGRI-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(C)c(C#N)c(C)c2)CC1 2280564677 VQUOKSLJVBPXLH-HOTGVXAUSA-N 270.420 4.946 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CC(F)(F)C12CCC2 2280873951 XCNOYJJBZFMOES-GJZGRUSLSA-N 285.422 4.927 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1c(F)ccc(Cl)c1F 2284090075 SAUWCBMLMZGVMS-ZDUSSCGKSA-N 297.776 4.614 30 10 CJEE COC[C@]1(C)C[C@H]1CC1(C#N)CCC(C(C)(C)C)CC1 2284646307 IGVMMLCJUVTEMN-FYRJDAGRSA-N 277.452 4.795 30 10 CJEE C=CCCCCCCCSCc1cccc(C(=N)N)c1 2287090562 HUYPYPSHPHJRRM-UHFFFAOYSA-N 290.476 4.730 30 10 CJEE C=C(C)CCCC[C@@H](NC)C(CC)(CC)N(CC)CC 2287412341 CHWLKVSEJZFTDA-QGZVFWFLSA-N 282.516 4.612 30 10 CJEE CCCCCCCCCN(CCC(C)(C)C)C[C@@H](C)N 2288064260 ZBNBGHOYEJLXPJ-QGZVFWFLSA-N 284.532 4.822 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CCCC[C@H]1C 2289713283 NYIUHWCGKOEARS-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H](CC)CC(F)(F)F 2289782927 DTEQGJBVPFLMEW-LSDHHAIUSA-N 289.385 4.527 30 10 CJEE CCCC1CCC(CC#CC2CCCC2)(C(=O)O)CC1 2289848375 UJSUMDAPFQEMLE-UHFFFAOYSA-N 276.420 4.631 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)C1CC(CC(C)(C)C)C1 2289933830 IHTCNGGLDOINDV-OFLPRAFFSA-N 277.496 4.867 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CC(C)(C)CCC1(C)C 2290345831 PMYHZFAFMFCUQG-MRXNPFEDSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@@H]1C[C@@H]1CC 2290639356 XRQVRUURSQEWBW-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)C1(C)CCCC1 2290917905 MDDXCYNWSQJBMW-HNNXBMFYSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)C1CCC(C)CC1 2290919681 BIAQDULBVBIDSN-UYSNPLJNSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@@H](CCCCF)OCC(=O)O 2291437355 VPAMAEMCWOPAJM-HNNXBMFYSA-N 290.419 4.737 30 10 CJEE C=CCCCCCC[C@H](CC1CCCC1)OCCCN 2292770611 PONSWESAQJBEJQ-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@](C)(OCCN)C1CCC(C)CC1 2292779210 MRJAMRLCGLWQAL-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCC12CCCCC2 2292780279 WFPBIFLQRKIPME-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C#CC[C@@H](C)C[C@H](CCCCCCCCC)OCCN 2292894466 FGZZZEMXWSHSJF-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)[C@@H]1CC1(C)C 2293023334 SKLGRHFRJGHQPB-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC1(OCCCN)C[C@@H]2CC[C@H](C1)S2 2293683323 QDELDQKMFFKDFL-SJPCQFCGSA-N 299.524 4.509 30 10 CJEE CCCCCCC[C@@H](C[C@H]1[C@H]2CCC[C@H]21)OCCCN 2294409207 JHDHBRYLLNZSNB-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CC1(C)CCC[C@@](C=O)(C2C3CC4CC(C3)CC2C4)C1 2294903514 VMBNFIVDGTVUIL-IJNOCJQWSA-N 274.448 4.844 30 10 CJEE C#Cc1ccc2c(ccn2CCCCCCC2CC2)c1 2295205562 WDAHQQMEXDHKOF-UHFFFAOYSA-N 265.400 4.983 30 10 CJEE CCCN[C@H]1CCCCC[C@@H]1C#Cc1ccccc1Cl 2295205802 ZBCURPNBZDENHN-AEFFLSMTSA-N 289.850 4.640 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C(F)(F)F)s2)cc1 2295252624 TTZXQQDKQMDWDU-NSHDSACASA-N 296.317 4.752 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CC)C1CCC1 2295527705 UNGYMAUKGQWNPX-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H](C2CCC2)CO1 2295537432 ZHCABDYYLCNFOQ-QZTJIDSGSA-N 281.484 4.879 30 10 CJEE CCCCCCCCC[C@@H](C)Nc1cn(C)nc1CC 2295690537 CLCJVBIZCPCLJB-OAHLLOKOSA-N 279.472 4.924 30 10 CJEE CCCCCCS[C@@H]1CC[C@](C#N)(NCCC)[C@H]1CC 2295764590 UWQWNXOGXXEVMU-GVDBMIGSSA-N 296.524 4.750 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(Cl)c1 2304035647 ODLHLHPBZALNSX-GJZGRUSLSA-N 251.801 4.593 30 10 CJEE C=CCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2307526389 IXHNSTBZXVBXNL-ZDUSSCGKSA-N 272.219 4.919 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cccc(Cl)c1 2313528894 IRRFTJNODSGSSJ-OAHLLOKOSA-N 281.852 4.594 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2CCC2(F)F)CC1 2313733206 RPIDSULGAQLGLC-JSGCOSHPSA-N 255.352 4.922 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)sc1C 2315464851 GEGUZDRCQIYPIB-XNRPHZJLSA-N 263.450 4.760 30 10 CJEE C=CCCCCC(=O)c1cc(F)ccc1C(F)F 2316401207 MHIHEMPGUAZSOC-UHFFFAOYSA-N 256.267 4.692 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cscc1C(F)(F)F 2316739496 SBSVLXRPFPWVHB-LBPRGKRZSA-N 276.323 4.569 30 10 CJEE C=CCC(CC=C)[C@]1(O)CCC[C@H](CCC)CC1 2316742909 DHRJMUXAUHHGSI-RDJZCZTQSA-N 250.426 4.866 30 10 CJEE C=CCC(CC=C)[C@@](N)(CC)c1cccc(Cl)c1 2316746825 LIXFEWSQMDYCPV-INIZCTEOSA-N 263.812 4.672 30 10 CJEE CC1CC(CS)(COCCCC2=CCCCC2)C1 2318486382 IIYVDAVDISAXSQ-UHFFFAOYSA-N 268.466 4.630 30 10 CJEE C=C(C)C[C@H](CCc1ccc(Cl)cc1)NCCC 2319288142 FEODXIJBRPWVMC-INIZCTEOSA-N 265.828 4.607 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(Cl)cc1C 2321099513 SOSZNSZLQGSCQT-HOTGVXAUSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@H]1CCC1(C)C 2321100400 AXWHIODSSLOMFS-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1c(C)ccc(Cl)c1F 2321180346 RGGOATOUYUQDOC-HNNXBMFYSA-N 268.759 4.963 30 10 CJEE C=CCC(C)(C)[C@H](O)C1=CC[C@@H](C(C)(C)C)CC1 2321231497 GCVXRJUBTNJLGB-HUUCEWRRSA-N 250.426 4.722 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OCC1(CS)CC(C)(C)C1 2321710822 PXYMANYOGAUVJP-KGLIPLIRSA-N 270.482 4.708 30 10 CJEE C[C@H]1C[C@H](OCC2(CS)CC(C)(C)C2)CC[C@H]1C 2321711738 UGFJCVWJWPZRJJ-HZSPNIEDSA-N 270.482 4.564 30 10 CJEE C#CCCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2325176351 WEDKMNKCGXDPON-CQSZACIVSA-N 288.193 4.716 30 10 CJEE CCCCCC#CC[C@@]1(N)C[C@@H]2CCCC[C@]2(C)C1 2333170957 SRZSWBMMTUYPIO-RCCFBDPRSA-N 261.453 4.648 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2334618668 GKSWBNYZCVYSJY-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)C)CC[C@@H]1NCCC 2335098202 HKJOAHHGHDFJNR-LUKYLMHMSA-N 283.525 4.877 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(F)ccc1C(F)F 2338317904 ZMJNNKQSABHSQJ-CQSZACIVSA-N 272.310 4.933 30 10 CJEE CCCC[C@@H](CC)[C@@H](C#Cc1cccs1)NCCC 2338392355 FMWMVBJLIWTZDU-NVXWUHKLSA-N 277.477 4.684 30 10 CJEE C=CCC(CC=C)[C@H]1CC(C)(C)CC[C@@H]1CNCC 2338725523 RQNONNVESUPGBE-IAGOWNOFSA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(C(C)(F)F)cc1 2338742790 YURFADGDAXVPRY-HNNXBMFYSA-N 265.347 4.567 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H](C)C1CCCC1 2338751021 YGXYHSNWUGNUMP-YJBOKZPZSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](OCCCN)c1cscc1Cl 2338862973 DDLFZEQXQQUYAX-OAHLLOKOSA-N 299.867 4.576 30 10 CJEE Cc1c(COCC2(C#N)CCCC2)ccc(Cl)c1Cl 2339520713 MJUBZXPBGVRZRN-UHFFFAOYSA-N 298.213 4.902 30 10 CJEE C=CC[C@](C)(O)C[C@H](c1ccccc1)C1CCCC1 2342471014 QGXSZTOHQGMHON-MSOLQXFVSA-N 258.405 4.678 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CC1(C=O)CCC2(CC1)CC2 2343335204 RFXLTTFZBJHJHB-HUUCEWRRSA-N 262.437 4.988 30 10 CJEE C=CC1(C[C@H](O)c2cccc(C3CCC3)c2)CCC1 2343783512 GRQWSHZOINUIBE-KRWDZBQOSA-N 256.389 4.734 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC(C)(C)c1ccccc1 2344343147 NEEGKIFGJGGBSF-FUHWJXTLSA-N 259.437 4.674 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc2sncc2c1 2344371483 KNPKFWPNZSMFQF-JKSUJKDBSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1csc(C(C)(F)F)n1 2344371494 KOSJYQRVHLWLMI-AAEUAGOBSA-N 288.407 4.508 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccccc1C1(C)CC1 2344385516 PYSRDQCIROIPCP-WMLDXEAASA-N 257.421 4.601 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@@H](C(F)(F)F)C2)CCCC12CCC2 2352731168 FZTFXIISWDWJAK-SCRDCRAPSA-N 274.326 4.505 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CC[C@H](COC)C1 2355997462 VNAMEEQVULSICE-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)[C@@H]1C[C@H]1C1CCCCC1 2357826130 BHJDCHPAYOKMJB-BSDSXHPESA-N 277.452 4.674 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@H]1CN[C@@H](C)CC 2358903595 VPYPAZVSTRWOJI-XSLAGTTESA-N 281.484 4.552 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CC[C@@H]1C[C@@H]1C)NC 2358947720 FIDIQLRVSDMIIE-BSDSXHPESA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1O2 2360175418 IXGQTGMWXYTPTP-WNRNVDISSA-N 282.468 4.836 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1C[C@@H](N)CC 2360207531 INFQCBRSAUKOAN-ZDUSSCGKSA-N 293.451 4.718 30 10 CJEE C=C(C)Cn1c(/C=C\c2ccccc2)nc2ccccc21 33420182 VUJUCFPTZUAWIC-SEYXRHQNSA-N 274.367 4.783 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc2ccccc2c1 37937940 QKRZLFGAPGERLZ-LJQANCHMSA-N 272.351 4.825 30 10 CJEE CCCCCCCCNc1cccc(C(=O)OC)c1C 59451535 MWJFWJKAYJNJEC-UHFFFAOYSA-N 277.408 4.554 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(CC/C(C)=N/O)cc2)C1 71150004 FCPMRCBATWVWHD-XNCQJHNMSA-N 289.419 4.817 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2c(Cl)cccc2[N+](=O)[O-])C1 87930370 MSRBSGAOBNBBRR-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CC1(C)CCC(C#N)(Cc2ccn(C3CCCC3)n2)CC1 87940179 IKOAHVFXIKRVMK-UHFFFAOYSA-N 285.435 4.651 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCc2ccccc2C1 88034702 CHNGJZRKQMVVAL-OALUTQOASA-N 271.448 4.516 30 10 CJEE CC(C)(C)[C@@H](CS)COc1c(Cl)cccc1Cl 94584817 MWMDESUJWHIKSO-SECBINFHSA-N 293.259 4.964 30 10 CJEE Fc1ccc(OC[C@H](CS)c2ccccc2)cc1Cl 94585385 QQZAHRYAQGVXBI-GFCCVEGCSA-N 296.794 4.572 30 10 CJEE N#C[C@]1(Nc2ccccc2)CCCC[C@H]1c1ccccc1 97898367 RTFWWBGWLQXIJT-RBUKOAKNSA-N 276.383 4.719 30 10 CJEE CCCCCCC[C@@H](NCCC)c1nc(C)cs1 104443617 OZTJSFFIVRIERY-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCN1C(=O)[C@@H](CCC)Nc2ccccc21 106594271 ZODLQNKBGPUZLE-MRXNPFEDSA-N 288.435 4.584 30 10 CJEE CCCOc1cc(F)c([C@H](C)CCC#N)cc1OCCC 107489320 KLDUSCHMOGNGSI-CYBMUJFWSA-N 293.382 4.811 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(C)ccc1OCCC 107584618 YSQSGNHWSFWBKN-HZPDHXFCSA-N 258.405 4.937 30 10 CJEE CCCCCCC[C@H](NC)c1cc(F)c(F)c(F)c1 109730237 FXBRJOLLIDJTRW-AWEZNQCLSA-N 273.342 4.725 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(C)oc1C 110227261 UVYQEFXIJHTFHR-INIZCTEOSA-N 251.414 4.908 30 10 CJEE CC(C)N(Cc1cccs1)c1ccc(C#N)c(Cl)c1 110255401 MDSMHRTVHCPTLA-UHFFFAOYSA-N 290.819 4.688 30 10 CJEE CC(C)C[C@@H](C)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264736 REUUVKDPNPLFGX-QBPKDAKJSA-N 278.484 4.707 30 10 CJEE CCCCCCCCCn1nc(C)c([C@@H](CC)NC)c1C 110267818 IPQFUGWXPKRCRV-QGZVFWFLSA-N 293.499 4.921 30 10 CJEE CCCC[C@@H](CC)COc1ccc(/C(CC)=N\O)cc1 110323329 PZHUJIXXSRGRRY-MGPWXQLLSA-N 277.408 4.870 30 10 CJEE CCCCCCCCCN1CCC[C@H]1CNC(C)(C)C 110326075 UTXUOJHCKMFDJS-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 122543049 PIOKXXFQEUKKCI-GFCCVEGCSA-N 275.223 4.749 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1Cc2ccccc21 129638857 QWQMHMGAVFHXNT-IRXDYDNUSA-N 260.421 4.828 30 10 CJEE CCCCc1ccc(OCC[C@@H](C)CCS)cc1 130408402 MYOHDJCFNZUOGN-CQSZACIVSA-N 266.450 4.754 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(C)nnc1C 135557454 XUHNLJHOSJFYFB-QGZVFWFLSA-N 278.440 4.658 30 10 CJEE CCCCCCCCC(=O)[C@@H]1SCCS[C@H]1C 135665743 SSMIDNQHZIUREU-GXTWGEPZSA-N 274.495 4.543 30 10 CJEE C=C(C)CC[C@@H](CSc1ccc(Cl)cc1)NCC 164645994 DZCSIQQABVRYFR-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)CCCC#CC 189891093 FYMOIRUMICJPDC-UHFFFAOYSA-N 283.415 4.671 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(N(C)C)CCC[C@@H](C)C1 217595821 KVGYZMAXYYXRIW-CEXWTWQISA-N 296.543 4.836 30 10 CJEE C#CCC[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 219721833 GKWCQFTXRVOGJM-GVDBMIGSSA-N 277.496 4.867 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2C)C1 225064641 IVUFKQJRXRGHSA-YCPHGPKFSA-N 259.418 4.806 30 10 CJEE C=C(C)C[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC 229739385 KQPHDTIHCQYQDL-RYQLBKOJSA-N 259.437 4.761 30 10 CJEE CCCCCCCCCCNc1cn(C)nc1CC 231084154 ABBMKRULZDUNTE-UHFFFAOYSA-N 265.445 4.535 30 10 CJEE CCCCCCCCC[C@H](C(=O)O)c1ccccc1N 232968094 GBONYXMFZDPADN-HNNXBMFYSA-N 277.408 4.578 30 10 CJEE CCSc1cccc(NCC2(C(C)C)CC2)c1C#N 233870803 DGNQFQGCKZJVEC-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccccc2C2CCC2)CC1 235699241 LXAVWUQDGYSGAT-CYBMUJFWSA-N 254.373 4.883 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@H]1CC(C)C 250818278 KAAOFNOWEZPUFL-QZTJIDSGSA-N 296.543 4.691 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2ccc(C)cc2C(C)=NO)C1 252464146 HOWFIYCMSNVSFW-LSDHHAIUSA-N 275.392 4.541 30 10 CJEE CC[C@H](C)c1ccc(-c2csc(CS)n2)cc1 259075607 CFYUUTQCPBXDQH-JTQLQIEISA-N 263.431 4.753 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2CCC(F)(F)C2)CC1 302428467 MHHLCCLVOILAQD-MOKVOYLWSA-N 255.352 4.922 30 10 CJEE C=CCCCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1 310898629 MGQFKFKIKYFHPV-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE COC1(CCC2(C=O)CCC(C(C)(C)C)CC2)CCC1 317440640 JEBUSMOBHHBWLA-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE C#CCCC[C@]1(CNCC(C)C)CCC[C@@H](CC)C1 318140545 CVPPAYUBVJZKCC-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE C#C[C@H](Nc1cccc(Cl)c1Cl)c1ccccc1 378758212 SURHFMLZTXVHCT-ZDUSSCGKSA-N 276.166 4.780 30 10 CJEE CCCCCCC[C@H](N)c1ccc(CSC)cc1 385529148 QZKRKKXEAIBUHH-INIZCTEOSA-N 265.466 4.910 30 10 CJEE C=C(C)CCNCc1c(Cl)ccc(Cl)c1Cl 386814035 SIUSACFMDBIDPN-UHFFFAOYSA-N 278.610 4.703 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccsc1Br 389010525 MBFIWHNWMRQNEO-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(CC)C1 389303040 DZKDXBHWGOPRIG-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCCCC[C@@H](N)Cn1cccn1 395992848 DJJRRIHYMMGHSD-QGZVFWFLSA-N 279.472 4.521 30 10 CJEE C=CCCC[C@H](C)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] 398072212 JQDLNVZPOJVRSK-VIFPVBQESA-N 286.734 4.544 30 10 CJEE CCCC1CCC(C=O)(C[C@@H](C)C2CCC2)CC1 398627165 MVNSNYBCPAPVDH-HPUBIQBYSA-N 250.426 4.988 30 10 CJEE C=C(C)CON[C@H](CC)c1ccc(Cl)cc1Cl 400934280 PVDULEKMHBLEAH-CYBMUJFWSA-N 274.191 4.542 30 10 CJEE CCCC(CS)(CCC)Cn1cc(C(C)C)cn1 402133135 QUIVCOFTTGULFO-UHFFFAOYSA-N 268.470 4.523 30 10 CJEE Cc1ccccc1COc1c(Cl)cc(Cl)cc1C#N 675047122 JQMRGDQPAWIPSJ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCCCCCC[C@H](NN)c1cnsc1 687175434 MXHXMALJQOWAJV-INIZCTEOSA-N 297.512 4.959 30 10 CJEE C[C@H](CC(C)(C)C)/N=C1/NC2(CCCCC2)CCS1 687324825 CAKHKAJSPRLQTA-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE SCC1(CN2CCC(C3CCC3)CC2)CCCCCC1 693147839 BCWVLBUZRJFGQM-UHFFFAOYSA-N 295.536 4.769 30 10 CJEE CC(C)CC[C@H](Nc1ccc(Cl)cc1C#N)C1CC1 695705539 SZINDNUETFLOOM-HNNXBMFYSA-N 276.811 4.838 30 10 CJEE Cc1cc(N2CCC(C)(C)CC(C)(C)C2)ccc1C#N 699714261 LXLRWGZXHQCCDY-UHFFFAOYSA-N 270.420 4.519 30 10 CJEE CCCCCCCCC(=O)c1cnc(C2CC2)s1 699717193 CKGRKAKCAJRILK-UHFFFAOYSA-N 265.422 4.954 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CC1(F)F)NCC 701153108 WVJRDKWQFLIRHH-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(OCCC)cc1 701918267 GGSLFLMSBNAYCN-OAHLLOKOSA-N 275.436 4.728 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1cccs1 704857850 GZNKGWXVVWFFDE-HNNXBMFYSA-N 253.455 4.759 30 10 CJEE C=CC[C@H](C=C)OCCCCCCCCCS 706008128 JHTAFNGUDFKONX-HNNXBMFYSA-N 256.455 4.794 30 10 CJEE C[C@H](N(C)c1ccc(C#N)cc1Cl)[C@]12CCCC[C@H]1C2 709260910 FQTQUOBYMHTXFR-RVSPLBMKSA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1(OCC)CCCCCC1 710480620 UHKJCRXZQIVCIN-HNNXBMFYSA-N 287.875 4.627 30 10 CJEE C=C(Cl)C[C@H](CSc1ccccc1Cl)NCC 710556939 NGISGJDLDYCTKW-LLVKDONJSA-N 290.259 4.553 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CC(C)(C)OC1(C)C 711320050 FCNRWYWYLPEMBX-JKIFEVAISA-N 263.425 4.690 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC(C2CC2)C1 714458103 HIGINATWOSVDQO-ABHNRTSZSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 715012253 YRVLTHCVTBLVOV-QPUJVOFHSA-N 278.701 4.604 30 10 CJEE C1CCCC2(CCC1)CS/C(=N/CCCCC1CC1)N2 716387960 WRAFQUCALZSGGO-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1CCC2(CCC2)O1 716858234 AZLXJPARVJDRDI-INIZCTEOSA-N 266.425 4.798 30 10 CJEE CC1(C)C[C@@]1(C#N)CCc1cc(Cl)cc(Cl)c1 722122922 DZWBAAFYDITIKX-CQSZACIVSA-N 268.187 4.866 30 10 CJEE C=C1CCC(CN[C@H](C)c2ccc(C)c(C)c2)CC1 724443173 LSXZJZKBKSGWIM-MRXNPFEDSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@@H](O)c2coc3ccccc23)CC1 724547003 HOBJIEFUTALREE-MRXNPFEDSA-N 256.345 4.603 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H]2CCCc3sccc32)CC1 724558616 BOBNQOUNDHEUOI-GOEBONIOSA-N 276.445 4.665 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@](C)(CC)OCC)CC1 724570286 AJRGVIGZHLIORS-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE N#CCc1sc2c(Cl)cccc2c1C(F)(F)F 725286553 FHMMKGRSANYYMH-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE O=C(/C=C\c1ccccc1)c1cccc(-c2ccncc2)c1 741471607 BSYCZLKSLBRULV-KTKRTIGZSA-N 285.346 4.645 30 10 CJEE C=CCCN(C)C(=O)[C@@H]1CC12CCC(C(C)(C)CC)CC2 1128050489 LVPPKEOZTWLKBI-WUJZJPHMSA-N 291.479 4.654 30 10 CJEE C#C[C@@H]1CCCCN1C(=O)C[C@H](C)CCCCCCCC 1134914959 ATESBZPJNHYOMU-QZTJIDSGSA-N 291.479 4.778 30 10 CJEE CCCCCCCCN(C)Cc1nc(C)c(C)s1 1144367220 OENRZJVEDBLVEO-UHFFFAOYSA-N 268.470 4.552 30 10 CJEE C=CCCC1(CN[C@H]2C[C@@H](OC)C2(CC)CC)CCCC1 1182865251 WFKJKQMYXTXFBJ-DLBZAZTESA-N 293.495 4.696 30 10 CJEE C=CCCCN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1192545633 BWQPUOHABRABDD-OAHLLOKOSA-N 285.353 4.958 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)c(C)c1 1193943466 ZANNJMMWQOKMGW-LJQANCHMSA-N 298.474 4.526 30 10 CJEE C=C(CC)CN(CCc1ccccc1)CCC(C)(C)C 1197275871 XVMLDKRIYNRNOP-UHFFFAOYSA-N 273.464 4.934 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C)c1Cl 1201171999 UFLNGUBKFSLCBB-CYBMUJFWSA-N 292.810 4.611 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc(CN(C)C)c(C)c1 1206239450 HEBVFCSGFBUDRC-KRWDZBQOSA-N 288.479 4.994 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 1210299409 IYEZCWHMSBCHRI-UHFFFAOYSA-N 286.419 4.764 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OCC2CC2)cc1 1308462501 PSXYGBSAUWBDOH-QUCCMNQESA-N 299.458 4.700 30 10 CJEE C=C(C)[C@H](N[C@H](C)C1CCCC1)c1ccc(F)c(F)c1 1308693593 DIXLBEABKZECJK-PXAZEXFGSA-N 279.374 4.750 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1cccc(C(C)C)c1 1310031865 BSXPFYYGWIWEGH-KRWDZBQOSA-N 286.419 4.773 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CC1 1434874333 BPTHKSFJMGFJSB-AWEZNQCLSA-N 287.403 4.549 30 10 CJEE C=CCCCN(CC)C(=O)N[C@H]1CCC[C@H]1CCC(C)C 1468583094 YTNUBWUDDPJVQG-IRXDYDNUSA-N 294.483 4.589 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 1468826893 UJUJFDRXWAWKSE-YESZJQIVSA-N 294.483 4.637 30 10 CJEE C=CCN(C[C@@H](CC)c1ccccc1)c1ccccc1 1474452612 GHFCKWIROMOEQM-QGZVFWFLSA-N 265.400 4.873 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1ccccc1C)C(C)(C)C 1515184785 RZGNQNBGIIEEDB-QGZVFWFLSA-N 287.447 4.801 30 10 CJEE C=C(C)CCC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 1524938882 KXMJCPIPWGTZFY-OAHLLOKOSA-N 271.404 4.519 30 10 CJEE C=CC[C@@H](C(=O)NCC(CC)(CC)CC)c1ccccc1 1533651713 YDJRRPUNJUAKAI-QGZVFWFLSA-N 287.447 4.679 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1 1536594970 PJISRKHOKBNXCO-JKGDOXCYSA-N 295.382 4.507 30 10 CJEE CCC[C@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 1559212129 BRTXXPBMAVFELZ-QWRGUYRKSA-N 297.855 4.687 30 10 CJEE C=CCNc1nnc(SCCC2CCCCCC2)s1 1559352555 SECHHODFCNUHRE-UHFFFAOYSA-N 297.493 4.589 30 10 CJEE C#CCCS[C@H](C)c1ccc(Cl)c(Cl)c1 1559376129 CCEDUGSNJBCRFA-SECBINFHSA-N 259.201 4.811 30 10 CJEE C=CCC1(CNC(=O)Nc2ccccc2Cl)CCCC1 1562163844 QIDXSSDLXATNHV-UHFFFAOYSA-N 292.810 4.598 30 10 CJEE C=CCCCNC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1586662639 VUTGBSIEQSVYCN-QZTJIDSGSA-N 299.458 4.679 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)c1ccccc1C)c1ccccc1 1587282783 JEXRVINZRODBRM-YJBOKZPZSA-N 280.367 4.569 30 10 CJEE C=CCN(CCc1ccco1)Cc1ccc(CC(C)C)cc1 1616682965 CRQTXOZQKHFKTN-UHFFFAOYSA-N 297.442 4.709 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)C1CCCC1 1624133284 UJAOFWGGKXZROY-CQSZACIVSA-N 286.419 4.505 30 10 CJEE C=C(CC(C)C)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 1631904854 KTTMJWAPPYJRPR-UHFFFAOYSA-N 297.442 4.521 30 10 CJEE C=CCCCCSc1c(Cl)cccc1C#N 1641381669 OZMLYOLIJBLIKJ-UHFFFAOYSA-N 251.782 4.660 30 10 CJEE C#CCCOc1ccc(CNc2ccc(CCC)cc2)cc1 1648859219 LWVRBFPPTJIFEV-UHFFFAOYSA-N 293.410 4.653 30 10 CJEE C=CCCCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 1652596732 XBZPDPUMMGDJFC-HOCLYGCPSA-N 261.409 4.717 30 10 CJEE C=CCC1(NCC#Cc2ccccc2Cl)CCCCC1 1654518300 KBHAXDQTVSNPOL-UHFFFAOYSA-N 287.834 4.560 30 10 CJEE C#Cc1cccc(N(CC)Cc2cccc(C(C)(C)C)c2)c1 1657774372 GKEBXJYHNHNVEM-UHFFFAOYSA-N 291.438 4.992 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCc2ccccc21 1660142283 PJORFIQJOBLGMN-SJLPKXTDSA-N 257.421 4.789 30 10 CJEE N#Cc1cccc(Cl)c1-c1ccc(OC(F)(F)F)cc1 1848362171 IOUYLHRNAAQMSC-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CC#CCCC[C@H](NCCC)c1cc(F)cc(Cl)c1 1879643935 KYSMOVPTNKKGBO-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C=C(CN(CC(C)C)C(CC)CC)c1ccccc1 1883337703 MEFIPJWWPOSPEE-UHFFFAOYSA-N 259.437 4.846 30 10 CJEE CCCCCCCCCCN1C[C@H]2[C@@H](C1)[C@@H]2C(F)F 1883818971 MXCSKUSUKOAOIV-FICVDOATSA-N 273.411 4.570 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@@H]1C1CCC1 1883882086 RFZUVIRVPOQJLL-RTBURBONSA-N 269.432 4.501 30 10 CJEE CCCCCCC[C@@H]1CC[C@@H]([C@H](F)C(F)(F)F)CN1 1909236205 WDLDCGHJIQZPFN-UPJWGTAASA-N 283.353 4.616 30 10 CJEE Cc1cc(Cl)c(NCC#C[Si](C)(C)C)cc1Cl 1916260419 WGEFENWVWSFWSC-UHFFFAOYSA-N 286.278 4.595 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)c1ccc(Cl)s1 1920364116 DEUMAWNFTMQCOK-KGLIPLIRSA-N 289.872 4.513 30 10 CJEE C=C([C@H](NCCC)C(C)(C)CC(F)(F)F)[Si](C)(C)C 1922986943 WFWMXWAHNQLGRW-LBPRGKRZSA-N 295.465 4.767 30 10 CJEE C=C1CCC(C[C@@](C)(C(=O)O)C2CCCCC2)CC1 1923897668 XCPCNFNOZMVESH-QGZVFWFLSA-N 264.409 4.794 30 10 CJEE C=C(Cl)Cc1c(Br)ccc(Cl)c1F 1934128713 BGDPBCKQGDMJJS-UHFFFAOYSA-N 283.955 4.537 30 10 CJEE C=C[C@H](NCCC)c1cscc1OCc1ccccc1 1934835270 BQURMAZZOVJOHK-INIZCTEOSA-N 287.428 4.554 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@@H]1CCSC1 1942282251 BQKVTKLZYBSRDF-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H](C)C(F)F 1948544505 PHOSSHCQFJYCGW-CHWSQXEVSA-N 250.373 4.779 30 10 CJEE C=CC[C@H](NCCC)c1cc2sc(C)cc2s1 1950487729 BNCIKNBZWGRULH-NSHDSACASA-N 265.447 4.888 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1ccc(Cl)cc1Cl 1975933978 ZLJAKVMLDXGVCK-RNCFNFMXSA-N 258.192 4.596 30 10 CJEE N#Cc1cc(F)c(Cl)cc1Sc1cccs1 1986443854 PKDXGTJLWVEAOH-UHFFFAOYSA-N 269.753 4.563 30 10 CJEE C=CCC[C@H](C)[C@](N)(CC)c1ccc(Cl)cc1 1996480027 ZIVLNGQFBZBTQW-SWLSCSKDSA-N 251.801 4.506 30 10 CJEE C=CCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 2009524384 SCCFNOHXAZTPPA-CQSZACIVSA-N 273.203 4.947 30 10 CJEE C#CC[C@@H](C[C@H](O)c1cc(Cl)c(Cl)s1)C1CC1 2019954680 QJOVXOKOVZGNSH-ONGXEEELSA-N 289.227 4.528 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)[C@@H](C)CC 2026285334 HKIZJWJYZRJXJL-WMLDXEAASA-N 259.459 4.748 30 10 CJEE CCCCCCC[C@]1(C)Nc2cc(F)ccc2O1 2027874604 IIUKJYMQCLQSPN-OAHLLOKOSA-N 251.345 4.707 30 10 CJEE CCCCCCCC[C@]1(O)CC[C@@H]2[C@@H](C1)C2(F)F 2030323971 OAJFCHBDSHUPLL-MCIONIFRSA-N 260.368 4.533 30 10 CJEE CCCCCCCCCCNC[C@@H]1SCC[C@H]1C 2033422986 OYWIOBZETUDUHW-CVEARBPZSA-N 271.514 4.858 30 10 CJEE C=CCC[C@@H](C)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2040515278 PCIFHNCJHVKECK-OTYXRUKQSA-N 291.193 4.942 30 10 CJEE C=CCC[C@H](C)Oc1ccc(Cl)c([N+](=O)[O-])c1Cl 2040519538 QXIAMNNAMWMPCZ-QMMMGPOBSA-N 290.146 4.635 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H](C)CC(C)C)C1 2041610183 NRSFZURHHKOONB-HNNXBMFYSA-N 251.458 4.641 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C(C)(C)C)s1 2045764685 ULUUIPVNWUEWOM-SWLSCSKDSA-N 265.466 4.908 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1c(Cl)cncc1Cl 2045980691 JOTBACGIBDTUGH-AWEZNQCLSA-N 288.218 4.716 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@]1(C=O)CCC12CCC2 2047933340 SPQNTBCZNQEXRB-CYBMUJFWSA-N 262.315 4.505 30 10 CJEE CCCCCCCN(C)[C@H](C)[C@]12CCCC[C@@H]1C2 2052291375 DJLIWYCDYMPNTQ-BRWVUGGUSA-N 251.458 4.857 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(SC)c1 2053067838 CPZACUYBRFVPOK-XJKSGUPXSA-N 263.450 4.661 30 10 CJEE CCCCCCCCCOC[C@H](N)c1cccs1 2055383586 URAUBBCEBUWBQT-AWEZNQCLSA-N 269.454 4.515 30 10 CJEE CC[C@H]1CC=C(C(=O)C2CCC(SC)CC2)CC1 2061170549 HUJVPZZESFZWOL-GRTSSRMGSA-N 266.450 4.614 30 10 CJEE C[Si](C)(C)C#CC[C@@]1(C#N)CCCCC12CCC2 2067276841 SXHHUPOTZKXQJR-MRXNPFEDSA-N 259.469 4.512 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H](CC)CCCC)C1 2074903186 PBCBIRFHIOTJDL-DLBZAZTESA-N 251.458 4.881 30 10 CJEE CCCCCCCCN(C)C[C@](C)(F)C(C)(C)F 2074910345 BBMYLDNAQRVIRH-HNNXBMFYSA-N 263.416 4.755 30 10 CJEE CCCCC#CCNc1ccccc1SCCC 2083403614 OYEOWFDLTUQWPN-UHFFFAOYSA-N 261.434 4.794 30 10 CJEE C=CCCCCCCNc1ccc(Cl)c(C#N)c1 2085840324 XDNWAJJARPPKKU-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE CCCC[C@@H](C)CCC(=O)[C@@H](C#N)c1cccs1 2085915443 QEDQOLAOBFZFMI-CHWSQXEVSA-N 263.406 4.531 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1CCCS1 2086263031 CNKLUSDQQXQDLL-HZPDHXFCSA-N 269.498 4.906 30 10 CJEE CCCCCCCCOC[C@@H](NCC)c1cccs1 2089276200 YTVUUNMBMURPPB-OAHLLOKOSA-N 283.481 4.776 30 10 CJEE CCCCCCCCC(=O)[C@]1(O)CCCCC1(C)C 2090912352 GMELCRFKCQEHGW-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](O)CCCC(C)C 2092176777 JDOCKDUZDJOIJZ-SJORKVTESA-N 271.489 4.512 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCC[C@@H]1C(F)(F)F 2092590506 NHIOGIIQDKZMJI-YIYPIFLZSA-N 276.342 4.751 30 10 CJEE CC(C)[C@@H](CC#N)Nc1cc(C(F)(F)F)ccc1Cl 2092790510 VSESYDQTTYBYJU-LLVKDONJSA-N 290.716 4.709 30 10 CJEE C#CCCCCC[C@@]1(CNCCC)CCCC1(C)C 2093013159 CWLQCKPAZWKHOZ-SFHVURJKSA-N 263.469 4.766 30 10 CJEE C=CCCCCC[C@@](N)(CC)c1ccc(CC)cc1 2098393447 WMSBPYKEABUHIK-SFHVURJKSA-N 259.437 4.950 30 10 CJEE C#CCCCCC[C@@]1(N)CCCCCCCC1(F)F 2098436935 JGKKWGKEPVCEFN-OAHLLOKOSA-N 271.395 4.647 30 10 CJEE C[C@@H]1CC[C@H]([C@@H](C#N)c2ccc(C(F)(F)F)cc2)C1 2098994296 GYQKEEODJCTJEB-OSMZGAPFSA-N 267.294 4.749 30 10 CJEE N#C[C@H](c1cccc(F)c1)[C@@H]1CCC2(CCCC2)C1 2098999196 QJOYDELWWZTGNS-GDBMZVCRSA-N 257.352 4.793 30 10 CJEE C=C[C@@H](N[C@@H](Cc1cccs1)c1cccs1)C1CC1 2101999505 IIKKQCHWFYSTTB-CABCVRRESA-N 289.469 4.648 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1CCC2(CC1)CC2 2102106637 SIGSIHZUNRGBKH-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)C1CC2(CCCCC2)C1 2102111866 PCWUOGHQWMVMRF-WBVHZDCISA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](CC)C1CCC(F)(F)CC1 2102279532 IIJVLPHIXZZPIW-DZGCQCFKSA-N 273.411 4.925 30 10 CJEE CC(C)(C)C#CCN[C@H]1CCCC2(CCCCC2)C1 2102379033 SCYSOUCXOYVPDY-INIZCTEOSA-N 261.453 4.519 30 10 CJEE C=C1C[C@@H]1CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 2102471619 UKQKDHALDPWIGN-RKTXRCNFSA-N 263.469 4.783 30 10 CJEE C[C@H]1CCC[C@@H](CNc2cccc(Cl)c2C#N)CC1 2103265301 MCMYDQZABWUSQR-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE CCCCCCC[C@](C)(O)[C@@]1(C#N)CCS[C@H](C)C1 2103468921 XWYCQVROWRVJAX-PMPSAXMXSA-N 283.481 4.523 30 10 CJEE C[C@@H](CC1=CCCCC1)Nc1cccc(Cl)c1C#N 2105123736 GYXCUKNRYZHJKT-LBPRGKRZSA-N 274.795 4.903 30 10 CJEE C=CCOc1ccccc1C(=O)CCC(C)(C)CC 2107725093 HIAZYZRKCBPOMM-UHFFFAOYSA-N 260.377 4.651 30 10 CJEE CN[C@H](CC#CC1CCCCC1)c1cc(C)sc1C 2107840065 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286.202 4.531 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cn(C)nc1Cl 2223848638 QYAITGVQXJAKDT-GFCCVEGCSA-N 271.836 4.625 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]1C(F)(F)F 2224402975 DSPCOKMBYNYYSM-IHRRRGAJSA-N 279.390 4.914 30 10 CJEE CCC#C[C@@H](NCCC)C1CCC(CCCC)CC1 2225435248 ZTNCWBMZOHVEFO-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CC#C[C@@H](NCCC)C1CCC(CCCCC)CC1 2225437243 UEUGAGKVLTWBKO-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC[C@H](C)O2)CC1 2226866608 NSTIPZIUWMNRME-ORBLRFAASA-N 266.425 4.510 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(F)c(F)c1 2227271930 LSYGYJZAIUJNMF-MRXNPFEDSA-N 267.363 4.881 30 10 CJEE C=CCCCCCCCN(C)[C@H](C)c1ccccn1 2227282853 XHSCUVYMZPFYSE-MRXNPFEDSA-N 260.425 4.601 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2ccc(F)c(Cl)c21 2227431656 OJOADTDUUKXHMC-UHFFFAOYSA-N 298.814 4.819 30 10 CJEE CCCCCCCCCO[C@@H]1CCN[C@H](C(C)C)C1 2230985907 ZYDTVVSAYVHKGY-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@H](C)[C@@H]1C 2231026367 IAEXVXODDQROIA-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCO[C@@H]1CC(=O)C[C@@H](C)C1 2231031148 RDYHBMITHODWJC-WBVHZDCISA-N 268.441 4.901 30 10 CJEE Cc1ccc(C#CC(=O)c2cc(Cl)cc(Cl)c2)cc1 2231230900 QHKZSEKUSVUYNL-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc(C2CC2)cc1 2231597398 ZTJXBUKZFZSSFV-KSSFIOAISA-N 256.389 4.502 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(C)cc(OC)c1 2235521665 LFRBFRCQPIYZMT-GOSISDBHSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(C)cc(OC)c1 2235521666 LFRBFRCQPIYZMT-SFHVURJKSA-N 275.436 4.920 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1ccc(C)nc1 2235523204 CHRXMMREMRZQMY-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@H]1CCCC(F)(F)C1 2235539427 PBJRALRYHLZONN-HUUCEWRRSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCC[C@H](N)C1(OCC)CCCCC1 2235540096 SWLFVQYPIIIZOM-KRWDZBQOSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCN1Cc2ccc(OC)cc2C1 2235541502 IURLBVOSVCYIBQ-UHFFFAOYSA-N 273.420 4.537 30 10 CJEE CN[C@](C#N)(CSCCCCCCCC1CC1)C(C)C 2239365946 SMPMSBKKPPULEA-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C=CCC(C)(C)COCC1(CNCCC)CCCCC1 2239376115 OLWBPXDELRBKLC-UHFFFAOYSA-N 281.484 4.555 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](N)CC2(CCC2)C1 2239462392 JHSKJNLFXJDKII-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE CC1(C)CCC([C@](C)(O)C#Cc2cccc(Cl)c2)CC1 2239462956 LYVSQLYCXGNRJG-GOSISDBHSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCCOC1(CC(=O)O)CCC1 2239492590 LJKUSLLPLJRLCC-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC2(CC2)[C@H]1N 2239493718 VZLUKLZGFGMKBR-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CCCCCCCCCOc1ncc(CNC(C)C)s1 2239535739 GBYCSTHLOANALW-UHFFFAOYSA-N 298.496 4.771 30 10 CJEE CC[C@H]1CCC[C@@H](C(=O)C#Cc2ccc(C)cc2)CC1 2239731772 KGJKNHSDQRABDZ-FUHWJXTLSA-N 268.400 4.522 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC1CC(CC)C1 2240644726 MMPNKCOOSYPOCH-OPQOLIRYSA-N 283.500 4.642 30 10 CJEE CCCCCCCNc1cc(Br)cnc1C 2242838490 GVVZSJPYPYHGHY-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE SCCCCCCCSc1ncccc1Cl 2245900994 MHKWEPGLIWCYJG-UHFFFAOYSA-N 275.870 4.707 30 10 CJEE C[C@@H]1C[C@@](C#N)(CC[C@@H]2CCCC23CC3)CCS1 2255231570 DTKUUGICIKXMHI-QLFBSQMISA-N 263.450 4.772 30 10 CJEE C=CCCCSc1cccc(Cl)c1CNC(C)C 2259057507 GSGLPIDCZPKKHY-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCCC1(CNCCC)CCSCC1 2259233663 RCDRPCLBSLXUAB-UHFFFAOYSA-N 269.498 4.636 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ncc(C)s1 2259239837 SUKMMVFPTZDKPK-CQSZACIVSA-N 266.454 4.629 30 10 CJEE CC[C@@H](C(F)(F)F)[C@]1(C=O)CCCCC12CCC2 2263935643 BXWAUZAXDJPFGQ-DGCLKSJQSA-N 262.315 4.505 30 10 CJEE CC1CC(CS)(CN(C)CCCCCCC2CC2)C1 2265312397 SVBIRFNOVCJVDJ-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CC(C)CCCCCCNc1c(F)cccc1C#N 2265756552 RQMMXFPFHLCEDA-UHFFFAOYSA-N 262.372 4.716 30 10 CJEE CC(C)=CCC[C@H](C)CCOc1ccccc1C#N 2269405799 JVABZRCUYSSXJC-HNNXBMFYSA-N 257.377 4.710 30 10 CJEE C=CCCSc1cc(C)cc(F)c1CN[C@H](C)CC 2271504170 ZZFPQGJNUBKZPO-CYBMUJFWSA-N 281.440 4.690 30 10 CJEE C=C(C)CCCC[C@H](CC1C[C@@H]2C[C@H]2C1)NCCC 2271835442 UIPDNBDRCXLQTN-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC([C@@](C)(N)C#CC2CCCCC2)CC1 2273992556 KEUHMMAZXAZMMD-SFHVURJKSA-N 261.453 4.504 30 10 CJEE C=C1C[C@@H]1C[C@@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2274533766 ZZMVPHBIFISLAI-BZUAXINKSA-N 263.469 4.783 30 10 CJEE C=C(C)CCCC[C@H](CCCCC)OCCC(=O)O 2275499760 AGPXWGCJZJRGSF-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@@H](C(C)C)CCO1 2278124212 HCYKUJBXZVMQBF-SJORKVTESA-N 269.473 4.878 30 10 CJEE CCCCCCSC[C@](C#N)(CC(C)C)NC(C)C 2278319792 LLOYFFLQPVBLDA-MRXNPFEDSA-N 284.513 4.606 30 10 CJEE CC#CCCCC[C@@H](C[C@H]1CCCCC12CC2)NCC 2279611040 VVLWAUYSIPMYLC-MSOLQXFVSA-N 275.480 4.909 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(CCC)cc1 2283522496 MXBUEYAOTWBMQZ-KDURUIRLSA-N 269.432 4.712 30 10 CJEE Cc1cc(F)c([C@@H](C#N)Nc2ccccc2Cl)c(F)c1 2283532198 MMPXNSWLLRRVEB-CQSZACIVSA-N 292.716 4.603 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1C[C@]1(C)COC 2284680135 IEZDUXKTRXJFFI-FGTMMUONSA-N 281.484 4.554 30 10 CJEE C=C(C)CCCC[C@H](NCC)C(C)(C)[C@@H]1CCCCO1 2287371617 DVCOANBSQFOBBJ-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C(F)(F)C12CCC2 2287464909 FCDFVHXUFIYYPT-LSDHHAIUSA-N 285.422 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cnc2ccccc2c1 2287467809 QELJIYGXDJWPGJ-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE CCC[C@](C=O)(CC)CN(C)C1CCCCCCCC1 2287672817 JSHHLMXLQNBGEA-GOSISDBHSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@]12COC[C@H](C1)C2 2288792203 LUZRLDHXAVWFQL-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE CC(C)N[C@]1(C#N)CCCC[C@@H]1CCSC1CCCC1 2288854339 BNQRGZGKBIYVCX-WBVHZDCISA-N 294.508 4.503 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C[C@@H]1CCC12CCC2 2289782843 BBCNRHWYEBIOPM-ROUUACIJSA-N 273.464 4.519 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2289863053 BRBZCYYUMULXGL-WJFTUGDTSA-N 273.464 4.504 30 10 CJEE CCCCCCC[C@@H](N)[C@@]1(O)CC(C)(C)CCC1(C)C 2290230318 QSYXLKOJASZMBW-QAPCUYQASA-N 283.500 4.642 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@]2(O)CC(C)(C)CCC2(C)C)C1 2290263642 AMACPAQDQBAEGF-JLSDUUJJSA-N 277.452 4.674 30 10 CJEE C#Cc1cccc(NCc2cccc(C(C)(C)C)c2)c1 2290289120 JNQXZEGDHKUAHY-UHFFFAOYSA-N 263.384 4.578 30 10 CJEE C=C(C)C1(OCC(=O)O)CCCCCCCCCCC1 2290585331 UXIXSXLTWABKFR-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H](C)C1)OCC(=O)O 2291013463 FUOFQXLKPZUXTP-OWCLPIDISA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)C1=CCCC1 2291194205 VZWNBRSEAGLORJ-INIZCTEOSA-N 282.424 4.707 30 10 CJEE C=CCCCCC1(OCCC(=O)O)CC(CC)(CC)C1 2291468476 WVLVNMJZZQXPSQ-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCC(=O)O)C1(C)CC1 2291816383 DAUGDPRNXNPTEL-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1ccccc1 2293215538 ATXMNMWGFIIXAB-SFHVURJKSA-N 277.452 4.844 30 10 CJEE C=CCCCC[C@]1(OCCCN)CC(C)(C)CC[C@H]1C 2293292184 NLWVWLHOLIQRCM-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H](C(C)C)C1 2293368316 LOZGALYHUJQDRC-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE C=C([C@H](OCCCN)[C@H]1CCCC(C)(C)C1)C(C)(C)C 2294273461 TVQQVYFAFVAIMN-HOTGVXAUSA-N 281.484 4.539 30 10 CJEE C=C(F)CC1(OCCCN)CCC(C(C)(C)CC)CC1 2294671230 UVVSGDMCVIYYAE-UHFFFAOYSA-N 285.447 4.590 30 10 CJEE CCCCCCCCC[C@H](C)[C@](O)(CC(C)C)C(=O)O 2295530674 CAJXGRKSTGXEOW-DOTOQJQBSA-N 286.456 4.625 30 10 CJEE C=CCC(CC=C)Nc1c(Cl)cc(N)cc1Cl 2298822619 XTLFHUNBPMAPKX-UHFFFAOYSA-N 271.191 4.508 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc2cscc2s1 2301011877 YJZMOMCLDQHCGR-AWEZNQCLSA-N 263.431 4.731 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@@H]2NCC[C@@H]21 2308426498 JYNGVIKNPFAEEU-HRCADAONSA-N 255.421 4.607 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C(C)C 2312084620 SZPMULFGLVUHMM-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)c1cccc(Cl)c1 2313525973 BVPXXTVTTWLAEF-DOMZBBRYSA-N 283.868 4.688 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@H](C)NCC)c(C)c1 2313690447 XIUFFDAPGDXUGE-KBPBESRZSA-N 263.450 4.722 30 10 CJEE C=C([C@@H](O)CCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2318638756 GEHTZHBVUAIPHV-AWEZNQCLSA-N 287.230 4.889 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@@H]1CCC(C)(C)C1 2319071161 GDZSGXCNRRVGTD-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@](C)(O)c1ncc(CC)s1 2319206773 HAXDYLGBAHFWGQ-OAHLLOKOSA-N 269.454 4.664 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1C(C)(C)C1(C)C 2321099383 RHFSBIAVYOQTIL-YOEHRIQHSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@H](CC=C(C)CCCC(C)C)NC 2321104308 FEHRSQHGVRTNEZ-SJORKVTESA-N 251.458 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1CC[C@H](C)[C@@H](C)C1 2321107220 DZAAEZYOWDHXDY-SIRPWMCASA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC1CCC(C)(C)CC1 2321116519 JXLXMKBZABUWTP-RDJZCZTQSA-N 251.458 4.913 30 10 CJEE Cc1ccc(Cl)c(OCC2(CS)CC(C)(C)C2)c1 2321722725 KSQJOVIDCIPBLT-UHFFFAOYSA-N 284.852 4.763 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1C[C@H]2CC[C@H](C2)C1 2327165636 LHUZDLADELMSKM-FQLMCAECSA-N 270.482 4.564 30 10 CJEE C=CCCCCCCN[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 2334218019 KDOWGEZBTWYGJC-JCECYMMASA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCC[C@@H]1NCC 2335096918 SBWZHXCQMOKZCM-IRXDYDNUSA-N 281.509 4.941 30 10 CJEE C=CCC(CC=C)Sc1c(F)cc(C(C)=O)cc1F 2335174848 QNEXUIKZGFOJQP-UHFFFAOYSA-N 282.355 4.780 30 10 CJEE C=CCC(CC=C)NCc1sc(C(F)(F)F)cc1C 2335188283 PQNIVKIVIMBCRD-UHFFFAOYSA-N 289.366 4.686 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(CCC)cc1 2338746658 IMMUMFHYAXQPRA-SFHVURJKSA-N 257.421 4.668 30 10 CJEE C=C[C@@H](C1CC1)N(C)CCCc1cc(Cl)cc(Cl)c1 2341136072 FQLCXGIQKRWFTQ-INIZCTEOSA-N 298.257 4.822 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CNc1cc(C#N)ccc1Cl 2343264864 KJUFUDAHXZUUOL-CHWSQXEVSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(F)ccc(OC)c1Cl 2344385872 SABOPFNWVWFDRT-OAHLLOKOSA-N 284.758 4.663 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CC[C@@H]2CCC(C)(C)C2)C1 2344865125 ZEIIKGYYBVMCNZ-UXLLHSPISA-N 263.425 4.692 30 10 CJEE CC1(C)CC(CS)(COC[C@@H]2CC23CCCCC3)C1 2345007759 FWMNYYNHFLLIHE-AWEZNQCLSA-N 282.493 4.710 30 10 CJEE CC(C)(C)OCCC[C@]1(C=O)CCCCC12CCC2 2345389107 GUZDGRRIROLWNE-KRWDZBQOSA-N 266.425 4.511 30 10 CJEE C=CCC(CC=C)S[C@](CC)(C(=O)O)C1CCCC1 2351992090 SOZYMHCLJYWDQK-INIZCTEOSA-N 282.449 4.664 30 10 CJEE CCCCCCCCCCOC[C@]12CC[C@H](C[C@H]1N)C2 2354516812 SFWQWKVQCVDRGN-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccccc1CC 2360199822 BUMLFRHSMMBQQS-CRAIPNDOSA-N 291.504 4.988 30 10 CJEE C=CC[C@H](C)SCc1cc([C@H](C)NCC)ccc1OC 2360324995 UMDHSWQKLSMGNB-KBPBESRZSA-N 293.476 4.564 30 10 CJEE N#C[C@H](C(=O)CC1CCCCC1)c1c(F)cccc1Cl 36930638 WJKZXOCSXKKHAG-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 37069514 JTOIFOJNISGIKF-DLBZAZTESA-N 286.419 4.606 30 10 CJEE C=CCSc1ccccc1NCc1ccc(C)s1 37766965 IDZXTTPZVTZDOR-UHFFFAOYSA-N 275.442 4.947 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(F)cc1Cl 49900889 HNYCYTADGAEKKN-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1ccc([C@@H](C#N)CCCOc2cccc(C)c2)cc1 57684740 ZQOFEIYHRLIWHA-GOSISDBHSA-N 279.383 4.770 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccccc1Cl 62790176 RLWCJYYLTSOINT-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE Cc1ccc(Nc2c(C#N)cnc3ccc(F)cc23)cc1C 64438644 AFAARRVTPPODDF-UHFFFAOYSA-N 291.329 4.606 30 10 CJEE Cc1ccccc1Cn1c(Cl)c(C#N)c2cccc(C)c21 71465290 TXCYRMVAKUCOGX-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CC[C@H](C)Oc1cccc(NCCCC(C)(C)C#N)c1 87598085 SGSRPVCGMUIWKI-AWEZNQCLSA-N 274.408 4.606 30 10 CJEE SCC1(COCCc2cccs2)CCCCCC1 94585808 BBEDYWPUSVUWKE-UHFFFAOYSA-N 284.490 4.578 30 10 CJEE CCCCCCCNC[C@@H](C)Oc1ccc(CC)cc1 100027333 PHCQYWQEVJLMPR-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE CCCCCCCn1c([C@@H](N)CC)nc2cc(F)ccc21 105500493 DTSXZVRHFQBBIU-AWEZNQCLSA-N 291.414 4.556 30 10 CJEE CC#C[C@@H](C)Cc1c(OCC)cc(C)c(Cl)c1C 107623722 RLKGKSOGJRAVBC-LLVKDONJSA-N 264.796 4.557 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1c(C)cc(OC)c(C)c1C 107637696 YWHAUYPSIZVRFR-JSGCOSHPSA-N 258.405 4.773 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnccn1 108828020 RMJLALOSCBNBJY-INIZCTEOSA-N 277.456 4.658 30 10 CJEE CCCCCCCOC1(CNC)CCC(CCC)CC1 110067706 SKRJDYCJYFRYBG-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOC[C@@H](NCCC)C(C)(C)C 110083719 CTZBGTBNWJGLLH-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE Cc1ccc(Nc2cc(Cl)ccc2C#N)cc1C 110253393 WADQXQGWTABPSU-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(F)cc1 112884991 UDWNPWNQIQLQPB-INIZCTEOSA-N 252.373 5.000 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1Br 112886157 ZAKNLINXCDOJIT-AWEZNQCLSA-N 285.225 4.843 30 10 CJEE CCCCCCCN1CC2(CCCCC2)NC[C@]1(C)CC 114069461 QYXXQAPVPVPTFB-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC1(c2ccccc2)CNC1 118674013 LGJFLQNGPYGTLH-UHFFFAOYSA-N 259.437 4.668 30 10 CJEE CCCC(CCC)Nc1cc(C#N)ccc1Cl 125647104 UNCDYLDCARDLJX-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE Cc1cc(Nc2ccccc2SC(F)F)ccc1C#N 126817828 DFRDTOWTKWVMHJ-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](OC)C(C)C 127480263 GDCHYHOHDFDFKJ-CVEARBPZSA-N 257.462 4.516 30 10 CJEE CCCCCCC[C@@H](CN)N(CC(C)C)C1CCCC1 129630171 DJPYNFQPIAYQBB-SFHVURJKSA-N 282.516 4.575 30 10 CJEE CCCC1CCC(O)(C2(C#N)CCCCCCC2)CC1 156785388 DWFBNVRDINZFGU-UHFFFAOYSA-N 277.452 4.962 30 10 CJEE CCCCCCCCCC[C@@](C)(F)C[C@H]1COCCN1 157571643 UZLKHEUBGUBPEA-DLBZAZTESA-N 287.463 4.624 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1c(Cl)cccc1Cl 158780291 DTOBDRWXKRNPNA-OAHLLOKOSA-N 286.246 4.728 30 10 CJEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2F)cc1F 160506915 PXMCFHBVTXYSHW-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE Cc1ccc2ccn(Cc3ccc(C#N)cc3Cl)c2c1 163796009 NODLLCFQRIVPAZ-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE C=CCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 168519030 NDSNUBBPUYOKPS-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C=C[C@@H](CC(=O)N[C@H](CC)c1cccs1)c1ccccc1 179040827 IQYRVBCAWAFVRM-GOEBONIOSA-N 299.439 4.675 30 10 CJEE CCCCCCCCCNCCCCOC(C)C 225201867 IDGQUFXFYKJRRQ-UHFFFAOYSA-N 257.462 4.532 30 10 CJEE CCCC[C@@H](CCC)Nc1sc(C#N)c(N)c1C1CC1 226162940 LXDYJEUKKCQNEY-GFCCVEGCSA-N 291.464 4.850 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCCC1(C)C 226945173 CPXBTYIAYXOYNK-HOTGVXAUSA-N 268.489 4.785 30 10 CJEE C#CCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC(C)(C)C 227926154 NRLJVMFVIHWQFU-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE CCCCCCCCCCN1CCc2cccc(N)c2C1 230053902 NDXVIUKGBVTBLY-UHFFFAOYSA-N 288.479 4.768 30 10 CJEE CCCCCCCCCCNC(=O)Cc1cccs1 231191429 UESQANGLNJCQIK-UHFFFAOYSA-N 281.465 4.548 30 10 CJEE C=CCCCCC[C@@H]1CCC[C@@H]1CNCC(C)C 232602475 QRLSAZONOWNGHS-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE CCCCCCCCN[C@H]1CC[C@H](SCC)C1 232939802 CCCGDTCRGBSBNF-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCNCC1(SC)CCCCC1 232955343 ZMBDSUCQMRDOGI-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(C)cc2Cl)C1 234088257 IMEYGNYCWBHAQX-XJKSGUPXSA-N 261.796 4.911 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2cc(Cl)ccc2Cl)CC1 235288584 INSKNUWOUNIHQB-JTQLQIEISA-N 283.198 4.851 30 10 CJEE Cc1c(Cl)cccc1NCCCCC(C)(C)C#N 235729042 LCICXPCLJOCRAW-UHFFFAOYSA-N 264.800 4.780 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](CCC)CC[C@H]1O 250797541 BIGUYGFYPAODLV-GVDBMIGSSA-N 270.457 4.693 30 10 CJEE Cc1csc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)n1 252436286 ODJPFLNRTIOKAD-YNEHKIRRSA-N 294.489 4.898 30 10 CJEE CC1(C)CC/C(=C/B2OC(C)(C)C(C)(C)O2)c2ccccc21 306917827 YMIKKAZXRJRKBP-YPKPFQOOSA-N 298.235 4.773 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 308054844 LVNVJIVGVGJQEN-IUODEOHRSA-N 277.795 4.589 30 10 CJEE CCCC1CCC(C#N)(CCc2ccncc2)CC1 311404244 WFHLRNROAPMFLW-UHFFFAOYSA-N 256.393 4.514 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CC(C)(C)N 311519079 SWINEQRXNUTBKH-MRXNPFEDSA-N 271.489 4.786 30 10 CJEE CC(C)CC[C@H](Nc1cc(C#N)ccc1Cl)C1CC1 311553751 MIBNTHYUOYXACX-HNNXBMFYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCNCCC1(OC)CCC1 311624964 AIBXGXPZVGATAG-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(CC)cc2)CC1 317435283 IJTBZKVIPAPATC-UHFFFAOYSA-N 272.432 4.967 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317684235 IDHDWSBBSVBMRY-ABAIWWIYSA-N 285.214 4.931 30 10 CJEE C=CCC[C@]1(CNC(C)(C)C)CCC[C@@H](CC)C1 317900138 RXGDUDBGSFEFDW-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=C(CC)C[C@]1(CNCCC)CCC[C@@H](CC)C1 319282586 MRBBERHSSHMIOL-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCO[C@@H]1C[C@@H](C2(C#N)CCCCCCC2)C1(C)C 328425526 TZKCTEVIJHLLLI-HUUCEWRRSA-N 263.425 4.692 30 10 CJEE CC1(C/N=C2/N[C@@H](C3CCCCC3)CS2)CCCCC1 386100390 HXWXPSLORSRXLQ-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(Cl)c(C)c1 387649493 ZQLRYYDNOXVCSL-KRWDZBQOSA-N 295.854 4.670 30 10 CJEE C=C(C)[C@H](NCCC)c1ccccc1OCc1ccccc1 390781262 SKUQDRRRWWPNNH-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cncnc1C 398731288 MMZSFPJCLKJFMR-KRWDZBQOSA-N 277.456 4.576 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H](CC)c1ccccc1 686693403 SGVZQTBAJSBEPM-MOPGFXCFSA-N 271.448 4.742 30 10 CJEE CCCCCC(C)(C)C/N=C1/NC2(CCCC2)CCS1 687322300 IGLOBZIUZFPHAA-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CCCCCCC[C@H](N)Cc1ccsc1Cl 687882657 UZDDEDXCAOVYBX-LBPRGKRZSA-N 259.846 4.632 30 10 CJEE N#Cc1cc(Cl)cc(OCc2ccsc2Cl)c1 687991433 HQYPEVVZMAJULO-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCCC[C@H]2C(C)C)cc1 691091011 SYRBSZZYRVELLY-ROUUACIJSA-N 270.420 4.906 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1NCCCCC#N 691152717 QPPVWTXQQMXAIU-UHFFFAOYSA-N 294.398 4.680 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CC2CCC1CC2 691646371 WMZNXRCWIAUQIM-BACDZXNISA-N 251.458 4.891 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(SC)cc1 692190793 LVXQYFSXASVCFP-WBVHZDCISA-N 275.461 4.633 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](CC)CC(F)(F)F 692221579 RNFCOWMSOBVKLW-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(F)c1Cl 692237883 AHIPYJCOKHHYKF-SWLSCSKDSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)cc(C)c1 692273572 VSBFFXLYSDVTPL-MSOLQXFVSA-N 257.421 4.528 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1F 695757250 LHAXQWBSNXKHGE-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)C1CCC(C2CCC2)CC1 695815221 KODFPVXVUZCJKR-CGZBRXJRSA-N 297.552 4.869 30 10 CJEE CCCCCCCC[C@@H](CNCCC)C1CCOCC1 696865220 ISOMQEGLJKNGAW-SFHVURJKSA-N 283.500 4.779 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C#N)c(Cl)c3)C[C@@H](C1)C2 697333142 KJNUDRJIDMCWKI-OCZCAGDBSA-N 286.806 4.758 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1(CN)CCC1 702921689 JWYOTISCVHOXDK-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccsc1Br 704943893 DXWRDCPGQINFOJ-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCCCCCCC(=O)Cc1nc(C)sc1C 707887232 NFCWSFMHHKPUHG-UHFFFAOYSA-N 267.438 4.622 30 10 CJEE Cc1ccc(C(F)(F)F)cc1C1=CC(=O)CC(C)(C)C1 713289382 QQZTXESOMAMTHU-UHFFFAOYSA-N 282.305 4.786 30 10 CJEE C#CC[C@@H](COC)NCCCCCCCCCCCC 716323485 SZLMRWNZNGZYQU-SFHVURJKSA-N 281.484 4.535 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(F)cc(C#N)c1 718565688 VBIKTPYVAPHLOA-CYBMUJFWSA-N 262.372 4.858 30 10 CJEE C=CCN(c1ccc(CNC(C)(C)C)c(Cl)c1)C(C)C 723169435 YVTBPBJOIMFDDH-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE C=CC[C@H](C)C(C)=NNc1ccc(C#N)cc1C(F)(F)F 799492142 MRYRGEKEIYXPTG-JTQLQIEISA-N 295.308 4.577 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](CC)CCCC)c1 1134626842 QKQUPMOLKFRDOF-AWEZNQCLSA-N 259.393 4.875 30 10 CJEE C=CCCCNCc1ccc(N(CC)c2ccccc2)cc1 1178629862 VXBCZMQOPHWJPN-UHFFFAOYSA-N 294.442 4.900 30 10 CJEE C=CCC[C@@H](CC)NCCc1c[nH]c2c(Cl)cccc12 1183171292 RDUPMDAHUIGBJX-CQSZACIVSA-N 290.838 4.698 30 10 CJEE C=CCN(CC/C=C/c1ccccc1)CCc1ccccc1 1190699248 GKRLQMKYJNCSEG-OQLLNIDSSA-N 291.438 4.821 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@H]2CCCCC(F)(F)C2)C1 1202587486 MMNSUJROPBAHCL-RBSFLKMASA-N 271.395 4.536 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H](C)CCCC)CCCCC1 1274862436 NFMARUCFWYHQRG-HNNXBMFYSA-N 265.441 4.550 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 1298823288 BVUFMCWIKCJYFV-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CCC1(NCC[C@@H]2CCc3ccccc32)CCCCC1 1308002250 BKGPNPSTJRIHTI-SFHVURJKSA-N 283.459 4.975 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)cc2F)CCCC1 1347909478 IRMMPJMXNMNQPY-UHFFFAOYSA-N 282.742 4.521 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(CC)CCCCC1 1353387941 YKNZUYSCQIUKSK-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCC(CC=C)C(=O)N1CCC[C@H]1CCC1CCCC1 1356217886 SLGLYFXMEDKTEP-SFHVURJKSA-N 289.463 4.716 30 10 CJEE C=CCCCCN1CCc2ccccc2[C@@H]1C(C)C 1459653883 WNJWTKBJGXYWRV-SFHVURJKSA-N 257.421 4.598 30 10 CJEE C=CCCC(C)(C)NCc1cc(OC)c2ccccc2c1 1461660680 PWZJRRGIEKWZGC-UHFFFAOYSA-N 283.415 4.683 30 10 CJEE C=C[C@H](C(=O)N(C1CCC(C)CC1)C1CC1)c1ccccc1 1464513455 LIBPBEXJOOLEQK-KVWWFHCMSA-N 297.442 4.526 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AKOFFAODAJMVLR-SSDOTTSWSA-N 298.795 4.661 30 10 CJEE C=CCCCSc1nccn1-c1cccc(Cl)c1C 1559343534 YDCYYQWSASXMLQ-UHFFFAOYSA-N 292.835 4.892 30 10 CJEE C=C(C)CN1c2ccccc2CC[C@@H]1Cc1ccccc1 1560213053 WCHYGKOGJDUCSO-LJQANCHMSA-N 277.411 4.627 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](c1ccccc1)C(C)C 1587021841 RLCDTJHLMDAXOS-GOSISDBHSA-N 287.447 4.679 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1597112989 GXAURZYDYBVEBL-JKSUJKDBSA-N 293.495 4.948 30 10 CJEE CSc1ccc(C#Cc2ccccc2SC)cc1 1614730854 JKIQHNMCDHCUDN-UHFFFAOYSA-N 270.422 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2ccccc2c1 1617458393 INRCBOKDNYXOFQ-QFBILLFUSA-N 293.410 4.705 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1C 1617467089 ZMRIDMMDWJIRCC-BBRMVZONSA-N 291.822 4.513 30 10 CJEE C=C(CC)CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1617874242 AGQCQQHJJBEDDA-OAHLLOKOSA-N 299.336 4.592 30 10 CJEE C=CCCCCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 1618159087 BATOKOCTNYTQJP-QGZVFWFLSA-N 293.838 4.540 30 10 CJEE C=CCC[C@@H]1CCCN1CCO[C@@H](CC)c1ccccc1 1620642254 NIUNYOMGRBQSOR-MOPGFXCFSA-N 287.447 4.585 30 10 CJEE C#Cc1ccc(NC/C(C)=C/c2ccc(Cl)cc2)cc1 1651655387 FUKXVPKGEBCHGO-WYMLVPIESA-N 281.786 4.837 30 10 CJEE C=CC(C)(C)CCNCc1cc2ccnc(Cl)c2s1 1656693545 BDPNVHJYHVCQIN-UHFFFAOYSA-N 294.851 4.642 30 10 CJEE C=CCCc1ccccc1NCc1cccc(CC)c1 1657232988 JWYSNRKLTSZLFG-UHFFFAOYSA-N 265.400 4.980 30 10 CJEE C=CC(C)(C)CNCc1ccc(N(C)c2ccccc2)cc1 1657380502 QWXYDKWQKYZIIU-UHFFFAOYSA-N 294.442 4.756 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(C(C)(F)F)cc2)C1 1657446702 ZTGAZEZKXQRNJJ-BBRMVZONSA-N 279.374 4.633 30 10 CJEE C=C(C)CCN[C@@H]1CC(C)(C)CCc2ccccc21 1658391865 AWSHVYSRVZFFOK-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE C#C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1F 1659187554 LIUALFQLEBGLNQ-DCGLDWPTSA-N 293.813 4.569 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1cc(C)c(F)cc1Cl 1669808399 NXWOSRSLGJONHF-UHFFFAOYSA-N 298.789 4.511 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(C(=C)C)c1 1675381651 HQEZDVWQOWHUOX-UHFFFAOYSA-N 286.419 4.978 30 10 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4.504 30 10 CJEE CN[C@@H](CC#CC1CC1)c1ccc(-c2cccs2)s1 2140976357 KSIGSPCMSICSNR-ZDUSSCGKSA-N 287.453 4.541 30 10 CJEE C=CCCCCCC[C@@H](NN)[C@H](C)C1CCCCC1 2141904734 DWGJKNUVKHFNFC-NVXWUHKLSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCCCN1CC(C(C)(C)F)C1 2142396237 CFHYGECXZDXRIK-UHFFFAOYSA-N 269.448 4.973 30 10 CJEE C=CCCCCCCCC[C@H](O)c1nc(C)oc1C 2142429288 ZDEWANTXTDBOOF-HNNXBMFYSA-N 265.397 4.632 30 10 CJEE C=CCCCCCCCCCC(=O)C[C@@H](N)C(C)C 2142443884 NETBXTXEPIMRIB-QGZVFWFLSA-N 267.457 4.626 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C(CC)CC 2142449139 WQOQRPMJLUZSLS-KRWDZBQOSA-N 268.489 4.951 30 10 CJEE CC(C)N[C@](C#N)(CCCSCC1CCCC1)C(C)C 2144106955 DFXPLDJVCKUHRX-KRWDZBQOSA-N 296.524 4.606 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)c1ccc(C)c(Cl)c1 2147366176 HQCUCAFHGIPKQU-DLBZAZTESA-N 297.870 4.630 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](O)CCCC(C)C 2147736091 RLCNSANMPLQZCF-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]1(O)CC[C@@H](CC)C1 2148579886 UOSRHSZPMFYPRF-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@H](N)[C@H](O)c1ccc(SC)cc1 2148586035 GRPNUQGHIZJGBE-DLBZAZTESA-N 295.492 4.520 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@]1(O)C[C@H](C)[C@@H]1C 2148594792 IBVGLBCUJBCZMN-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](O)C(C)(C)CC 2148595326 LBRFADBSRDXPTR-SJORKVTESA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](O)[C@@H](C)CCC 2148620829 SSOMFVQHYZPOBL-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE C=CC[C@H](CNC1CC1)C[C@@H]1CCCC[C@@H]1C(F)(F)F 2149116217 VZCMGTSHDYVDHW-YDHLFZDLSA-N 289.385 4.690 30 10 CJEE CC1(C)C[C@@H]1CCNc1ccc(C#N)c2ccccc12 2149784835 SYMJMPDNPNDZLL-AWEZNQCLSA-N 264.372 4.560 30 10 CJEE O=C(CC#CC1CCCCC1)Cc1cccc(Cl)c1F 2149857390 IEMQYBNPYKJJRD-UHFFFAOYSA-N 292.781 4.565 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@H]1C[C@@H]2CCCC[C@@H]2C1 2151535643 SPBLFFFNQAFDRD-QDMKHBRRSA-N 288.822 4.617 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2C[C@@H]3CCCCC[C@@H]3C2)N1 2153457956 JJTCTFLNMRXGEG-JYYAWHABSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CCC(F)(F)CC)NCC 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CJEE CCCCCCCCC[C@]1(CNCCC)CO[C@@H](C)C1 2159375586 CVPSOGFJGPHSHL-ROUUACIJSA-N 283.500 4.922 30 10 CJEE Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)c(C#N)c1 2163695615 KKINITQYWHKSEI-QGZVFWFLSA-N 282.774 4.620 30 10 CJEE C=CCCOCC[C@]1(CNC(C)(C)C)CCCC[C@H]1C 2163904876 RJGXFIIOTFUIOV-AEFFLSMTSA-N 281.484 4.554 30 10 CJEE C=CC[C@H](NCCC)c1ccc(OCCCCC)cc1 2164223885 ZVZUEZKOVZYWLO-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CC(C)(C)CO1 2166249108 KYVJFVVXUAWFEO-GOSISDBHSA-N 281.484 4.674 30 10 CJEE C=CCC[C@H](C)NCc1ccc(-c2ccccc2)cc1 2167114811 KVHDAWQGZSKZFJ-INIZCTEOSA-N 265.400 4.798 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@]2(C)CCCC2(F)F)CC1 2167940988 AMBWYCSRLUFJIM-CVEARBPZSA-N 285.422 4.927 30 10 CJEE C=CC1(C[C@H](C[C@H](C)c2ccccc2)NCC)CCC1 2168023662 NQJCLAXTBGGWCP-WMZOPIPTSA-N 271.448 4.905 30 10 CJEE C=CCC[C@@H](C)C(=O)[C@](C)(O)C1CCC(CCC)CC1 2168484734 KZXJVHFNYUCUFQ-YHOLWWCESA-N 280.452 4.515 30 10 CJEE Cc1ccc(N[C@H](C)[C@@H]2CCCC(C)(C)C2)c(C#N)c1 2168636183 RFWAMHZFPKMFSC-HUUCEWRRSA-N 270.420 4.884 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@@H]1CCCCC(F)(F)C1 2168893352 BVWBZDBDLCJRLY-CYBMUJFWSA-N 298.764 4.616 30 10 CJEE C=C(C[C@@H](NCC)[C@H]1CC[C@H](CCCCC)CC1)OC 2171009336 DWJVCDVDNGWKRS-KZNAEPCWSA-N 281.484 4.901 30 10 CJEE CN(CC#CC(C)(C)C)C1CCC2(CCCCC2)CC1 2171496706 YHTSFZFTHDXEND-UHFFFAOYSA-N 275.480 4.861 30 10 CJEE CC(C)(C)c1csc(C[C@@]2(C=O)CCCCC2(C)C)n1 2173651427 JDHNNUCAFACAAD-QGZVFWFLSA-N 293.476 4.769 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(CC(F)(F)F)CC1 2176724194 KRZAIFYZOMEWMB-CYBMUJFWSA-N 294.405 4.692 30 10 CJEE C[C@@H]1CCC[C@@H](CNc2cc(Cl)c(C#N)cc2F)CC1 2177390041 UKZGPQMQSFYBIV-VXGBXAGGSA-N 294.801 4.979 30 10 CJEE C=CC[C@H]1CCCCN1c1ccc([C@@H](C)NC)c(Cl)c1 2178454633 AAQOTPGMCGORJZ-KGLIPLIRSA-N 292.854 4.555 30 10 CJEE C=CC[C@@H](NCCC)c1ccccc1-c1ccccc1 2179264999 YMJDAFJSPHWUPN-LJQANCHMSA-N 265.400 4.970 30 10 CJEE C=CCCCC[C@]1(CNC(C)(C)C)C[C@@H](OC)C1(C)C 2179677793 LRJNTRNFGOOYMQ-CRAIPNDOSA-N 281.484 4.552 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CC(=C2CCC2)C1 2182165286 GXLUWUBAGSXIIU-IBGZPJMESA-N 273.464 4.829 30 10 CJEE CN(CCCCC(C)(C)C#N)CC12CCC(CC1)CC2 2185008662 CCNZQQQSRYUJIW-UHFFFAOYSA-N 276.468 4.609 30 10 CJEE CCCCCCCCCCN[C@H]1CO[C@@H](C(C)(C)C)C1 2185602182 GSFXNWAQSLKROB-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCNC[C@]1(CC#C[Si](C)(C)C)CCCCC1(C)C 2187467623 FUAOZGMPBOEMGA-GOSISDBHSA-N 293.571 4.844 30 10 CJEE CCCN[C@H](CCC#C[Si](C)(C)C)CC1CCCCC1 2187468278 MLTNQFFXLQGKDV-GOSISDBHSA-N 293.571 4.986 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)C2(C)CCCC2)C1 2187839689 BHDLMVMGOSRHAT-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCc1noc(-c2ccc(N)s2)n1 2187988231 IWIIKBPPZOCRKH-UHFFFAOYSA-N 293.436 4.673 30 10 CJEE CN[C@@H](CCC(C(C)C)C(C)C)c1cccc(C#N)c1 2189257415 ATGNFJRBNQYWEE-SFHVURJKSA-N 272.436 4.527 30 10 CJEE CC(=NO)c1ccc(OCCC(C(C)C)C(C)C)cc1 2189290085 NQFSDVFVUUVFCY-UHFFFAOYSA-N 277.408 4.582 30 10 CJEE C=CC1(CN[C@@H](c2ccc(C)cc2)C2CC2)CCCC1 2189509495 OSYOGMKKLVVOBI-SFHVURJKSA-N 269.432 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N#CCc1cc(-c2ccccc2F)ccc1C(F)(F)F 47205222 DPDJYIYSGFJKTR-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE N#C[C@@H](CCOc1cccc(Cl)c1)c1ccc(F)cc1 57685748 OUFFWSMEEIIOOR-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE Cc1cc(C)c([C@H](C#N)Cc2cccc(N(C)C)c2)c(C)c1 57759032 FXUZKJIBBHRGOL-SFHVURJKSA-N 292.426 4.528 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2Cl)s1 62791069 HEUQJWGTLWSICN-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CC[C@@H](C)Oc1ccc(-c2cc(C#N)c(C)s2)cc1 77094719 SRFODPXDEQKUCG-LLVKDONJSA-N 271.385 4.773 30 10 CJEE CC(C)[C@H]1CCC[C@](C#N)(Nc2ccccc2F)CC1 86949234 MMSXQISPCCZICQ-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE N#CC1(Sc2cccc(Cl)c2)CCCCC1 90238276 CIMMPAJGHNOZNX-UHFFFAOYSA-N 251.782 4.659 30 10 CJEE Cc1cscc1C(=O)[C@H](C#N)c1ccc(C(C)C)cc1 94247767 QPSNHHSVGOSSPP-OAHLLOKOSA-N 283.396 4.670 30 10 CJEE CCC(CC)(CS)CN1CCC[C@H](C(C)(C)C)CC1 94581620 SSZUDMZESQHGFP-HNNXBMFYSA-N 285.541 4.871 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OCCCCS 94584390 XZPMCGUQSLSDKT-UHFFFAOYSA-N 272.841 4.861 30 10 CJEE SC[C@@H](COc1ccc2c(c1)CCCC2)c1ccccc1 94585747 VBDWHODNVMHLSU-GOSISDBHSA-N 298.451 4.658 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1Cl 96887866 SFRGBWQWCBYVER-CSKARUKUSA-N 286.758 4.635 30 10 CJEE CCCCCCC[C@H](NC)c1ccccc1Cl 103938245 QQSJSWQGDPMRMZ-HNNXBMFYSA-N 253.817 4.961 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1[C@H](C)N 103983418 DHWYBXIMNVOALG-LBPRGKRZSA-N 269.816 4.709 30 10 CJEE CCCCCCCCC[C@@](C)(CC)CNCCOC 103996563 ALODCLMGTDIQRS-QGZVFWFLSA-N 271.489 4.779 30 10 CJEE CCCCCCCCOC(=O)c1cc(C)ccc1F 111679081 RDSVZTPTYQKUMV-UHFFFAOYSA-N 266.356 4.651 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(F)cc1F 112899732 VCPCTNXDCYRXIU-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCCSC[C@H](C)C(=O)OC 116783009 PNSRYVBAAIWJCH-AWEZNQCLSA-N 274.470 4.669 30 10 CJEE CCCCCCCCCSc1cccc(CN)c1 117370055 DRGJLQVQCUUGPN-UHFFFAOYSA-N 265.466 4.988 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(Cl)cn1 125094668 BJYABSZICWUJTQ-AWEZNQCLSA-N 268.832 4.746 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](CCC)OC 126839868 JNLJKJDVZXOLQN-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE Cc1cc(C)cc(CSc2c(F)cc(C#N)cc2F)c1 127489942 DKDFIPISEAKZAQ-UHFFFAOYSA-N 289.350 4.746 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)ccc2Cl)cc1F 127747192 FJIJDROQTXEAJR-NSHDSACASA-N 288.753 4.832 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2OC)CC1 129962874 FOTBPGKDKFWNMI-ZBFHGGJFSA-N 286.419 4.728 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N 130548048 LMGQCEPZRJUCHR-KCQAQPDRSA-N 288.460 4.907 30 10 CJEE CCCCCCCCCCNc1ncnc(N)c1C(C)C 157451918 WBMXWQARCDZYJF-UHFFFAOYSA-N 292.471 4.735 30 10 CJEE CCCCCCCOc1cc(F)cc(CNC(C)C)c1 157481200 FPKNPILCXUUONU-UHFFFAOYSA-N 281.415 4.673 30 10 CJEE CCCCCCCCNc1nc2c(cc1C#N)CCCC2 159330613 WATKTPXYSSBSGV-UHFFFAOYSA-N 285.435 4.604 30 10 CJEE CCCCCCCCC(=O)[C@@]1(OC)CCC[C@@H](C)C1 161009667 YAMJLQFGRBSXAI-NVXWUHKLSA-N 268.441 4.901 30 10 CJEE Cc1cc(C#N)ccc1COc1ccc(C(C)C)cc1 165536402 DCGUTDWVNDNDLI-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCCN1 166489058 WFYZPUJSVVEHTK-INIZCTEOSA-N 267.457 4.619 30 10 CJEE CC[C@H](C)c1ccc(OCc2ccccc2C#N)cc1 217398482 CBMOSDMXSHYPNF-AWEZNQCLSA-N 265.356 4.651 30 10 CJEE C=CCCC[C@H]1C[C@H](CC)CC[C@H]1CNC(C)C 227519615 FRXFTFVDTIYFTD-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE N#Cc1cccc(Nc2c(Cl)cccc2Cl)c1 227620844 WGEXTYHKECDUST-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CC[C@@H](C(C)C)C2)C1 230258361 ASGVYIXWMVGDHO-TVFCKZIOSA-N 290.495 4.709 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(F)c(Cl)c2)C1 231079861 YGQFJXYOLRHAAT-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 235238695 AYGVVQFGXXKXLS-CJNGLKHVSA-N 270.420 4.724 30 10 CJEE Cc1ccc(Cl)cc1OCCCCC(C)(C)C#N 235769063 PCNYRODKCHYJKY-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE C=CCCCCC[C@@H](N)C12CC3CC(CC(C3)C1)C2 236314441 NJSDAKMTZJXSLD-AWDGRILASA-N 261.453 4.667 30 10 CJEE C=CCCCCC[C@@H](O)[C@H]1CCCc2ccccc21 236549026 KDESNVZWDPRNRC-ZWKOTPCHSA-N 258.405 4.604 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(F)cc1Cl 236549872 VMWKAGLMZZEDSB-CQSZACIVSA-N 256.748 4.649 30 10 CJEE C=CCNc1nc(C)cc(Nc2c(C)cccc2C(C)C)n1 242829213 FPJWRWGPVCRCSE-UHFFFAOYSA-N 296.418 4.558 30 10 CJEE C[C@@H]1CC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 251538341 ANQUXIXPOSQRKT-NQBHXWOUSA-N 297.320 4.781 30 10 CJEE Cc1c2ccoc2c(CC(C)(C)C#N)c2ccoc12 260226840 BAKLLMYPVGXKHK-UHFFFAOYSA-N 253.301 4.580 30 10 CJEE CCCCCCCCC[C@H](O)C1(SC)CCC1 302503852 XMBCUWMPINZZLB-AWEZNQCLSA-N 258.471 4.774 30 10 CJEE Cc1cc(C#N)cc(N[C@H](C)c2ccccc2Cl)c1 308112577 ZUBNVSUQVZVLLI-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)c(F)c1 310916545 ZGIADZCBRHJKEE-LLVKDONJSA-N 269.791 4.732 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1 311826064 KTTDEYPZJMSASQ-INIZCTEOSA-N 277.839 4.820 30 10 CJEE CCCCN(c1ccccc1)c1nc(Cl)c(C#N)s1 312107519 KWQJIAKHJKHGHN-UHFFFAOYSA-N 291.807 4.606 30 10 CJEE CCCCCCCC[C@@H](CC1(COC)CCC1)NCC 312471079 GSEGLKQATYLMND-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)ccc(F)c1OC 312495219 WUFRHHZATYTGMQ-AWEZNQCLSA-N 285.378 4.724 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCC23CCCCC3)C1 312996657 SKUVTZRWOBCKQC-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CC1(C)CCC(CC2(C#N)Cc3ccccc3C2)CC1 313147370 RMJLIUTWJOTUGH-UHFFFAOYSA-N 267.416 4.902 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccncc2Cl)CC1 316901715 UHNVDGABVADSJS-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE C#C[C@H](Nc1ccc(CCCC)cc1)c1ccccc1 378770897 WQMUCXOJXLJYJW-IBGZPJMESA-N 263.384 4.816 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384431231 RQUAFKKMBBSDAR-YVWKXTFCSA-N 296.458 4.760 30 10 CJEE CCCCCCCC(=O)c1cc(C)c(F)cc1C 386241231 AWUGSKAQWAGFFQ-UHFFFAOYSA-N 250.357 4.986 30 10 CJEE C=C([C@@H](NCC)c1cccc2ccsc12)C(F)(F)F 386315280 BUBMFWHLPVPENW-GFCCVEGCSA-N 285.334 4.670 30 10 CJEE CCCCCCCCCN(C)[C@@H](CC(C)(C)C)C(=O)O 387695756 WEKACIIOJGRHRW-HNNXBMFYSA-N 285.472 4.558 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCC23CCC3)CC1 394728281 FQCBIVWFOMOZED-VJFUWPCTSA-N 275.436 4.572 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@H]2C(C)C)C1 395789913 SYTZLDODGRIERJ-ZJPYXAASSA-N 276.468 4.605 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1CCOC1)NC 400957090 HLHZWJJEMIZLIH-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=C(CC)C[C@@H](NCC(C)C)[C@H](C)c1ccccc1 405624303 UFDZGDYXDAQIGW-SJLPKXTDSA-N 259.437 4.761 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@H](OC)C1 686347861 CBZPPFFQRWGBDH-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@]1(O)CCCCC[C@H]1C(C)C 686682154 ZOIMBBHTLSNOFD-IRXDYDNUSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(CC)s1 686689823 UWNSPUPIBDYFJF-HNNXBMFYSA-N 263.450 4.545 30 10 CJEE C#CCCCCC[C@@H](CSc1ccc(C)cc1)NCC 686697196 IPAKPZATXBAZRW-KRWDZBQOSA-N 289.488 4.649 30 10 CJEE C#CCCCCC[C@H](NCC)c1cccc(C)c1C 686702281 GBHUUZAPDYUEAL-SFHVURJKSA-N 257.421 4.538 30 10 CJEE CCCCCCCCCC(=O)c1ccnn1CC1CC1 687087276 QUVOAWKIUSFLRJ-UHFFFAOYSA-N 276.424 4.617 30 10 CJEE C=CCOc1ccccc1CNc1cccc(F)c1Cl 690289030 LUZNELLFVNYAGA-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)C1CCC(F)(F)CC1 690827157 BPUCOXBMYOHIKH-SNVBAGLBSA-N 298.764 4.838 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1 692206791 XBLYWIYMPFIXKL-XJKSGUPXSA-N 281.802 4.704 30 10 CJEE C=C(CC)C[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 694985810 KQPNNCJLSQLJFG-GFCCVEGCSA-N 278.701 4.749 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2csc(C3CC3)n2)C1 696581491 ZPXALKHOOKWMGE-BLLLJJGKSA-N 274.433 4.673 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCC[C@H](C)C3)C[C@@H](C1)C2 697303555 CWQVMWPFNITFOL-IMLUKAASSA-N 261.453 4.537 30 10 CJEE CC1(C)CCC[C@@H](/N=C2/NC3(CCCCC3)CS2)CC1 697622573 GLDLGYSWOHIXEG-CQSZACIVSA-N 294.508 4.741 30 10 CJEE CCCCCCCC[C@H](CC1C[C@H]2C[C@@H]2C1)NC 698105077 LXQVUTBSPUMBDD-YESZJQIVSA-N 251.458 4.761 30 10 CJEE CCC(C)(C)c1ccc(OC[C@@H](CS)C2CC2)cc1 701998278 NTJITEQOFYDHTA-AWEZNQCLSA-N 278.461 4.709 30 10 CJEE C=CC[C@@H]1CCCCN(c2cccc(Cl)c2C(C)=O)C1 703624728 WOGKIIKDCWENMX-CQSZACIVSA-N 291.822 4.725 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC2(c3ccccc3)CC2)C1 704059552 XTCSVXPUEFJJGL-SJLPKXTDSA-N 270.416 4.894 30 10 CJEE C=C(C)[C@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712571139 UKHUDKKMZSMATJ-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C=CC[C@H](C)[C@H](NC)c1cc(Cl)sc1Cl 715722133 AKXKJTXCXCJFJE-XVKPBYJWSA-N 264.221 4.528 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(Cl)c1C 715769716 OWIMGUBAQVQMAC-MLGOLLRUSA-N 265.828 4.901 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](N)C1CCCC1 718799954 BVGRUDYIDYJJHB-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE C=C1CCC(C[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 724554104 SVYBSWLSGLOECE-NNGLDNROSA-N 273.464 4.667 30 10 CJEE CC/C(=N\OCc1cccc(C#N)c1)c1ccc(Cl)cc1 821219075 GERYWOKPHWMZGC-LVZFUZTISA-N 298.773 4.543 30 10 CJEE CC(C)c1ccc(N=Cc2ccc(N3CCCC3)o2)cc1 1084003253 VHUVMPDPOLSNBT-UHFFFAOYSA-N 282.387 4.754 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H](CC)CC1CCCCC1 1131602876 YSYVBUYYFQRUIB-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=C/C=C/CCN(Cc1ccc(OCC=C)cc1)C(C)(C)C 1168025534 KJMAVQIHDHZHQQ-CMDGGOBGSA-N 299.458 4.984 30 10 CJEE CC1(C)CC(CSc2ccc(Cl)cc2C#N)C1 1188869276 DNZLGCCMQVXRHU-UHFFFAOYSA-N 265.809 4.740 30 10 CJEE C=C(CC)CN(CC)CCc1ccc(C(F)(F)F)cc1 1195366728 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CCSNOHYEFNEABA-RISCZKNCSA-N 262.784 4.592 30 10 CJEE N#CC[C@H](c1ccc2[nH]c(C(F)(F)F)cc2c1)C1CC1 260656195 VAKAHEVZXILHON-LBPRGKRZSA-N 278.277 4.594 30 10 CJEE CCCCCCCCCOc1cc(C(=O)CC)ccc1N 260866853 DJHIOCLYXLFIKK-UHFFFAOYSA-N 291.435 4.991 30 10 CJEE CC(C)c1ccc([C@@H](C)CC#N)cc1Br 260869176 LDUWNRUWUWSFGX-JTQLQIEISA-N 266.182 4.590 30 10 CJEE COc1ccc(C2CCCCC2)cc1CCCC#N 260881135 SPRCCHDZVVGDOE-UHFFFAOYSA-N 257.377 4.589 30 10 CJEE CCCCCCCCCC[C@@](C)(O)C(C)(C)OC 302377954 HZVLDCDGAVKXKM-MRXNPFEDSA-N 258.446 4.693 30 10 CJEE CC[C@]1(c2ccc(Cl)c(Cl)c2)CC[C@@H](CC#N)O1 307894614 HUOYTQGIGZNZBT-SMDDNHRTSA-N 284.186 4.691 30 10 CJEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)[C@@](C)(C#N)CC 307897097 RXBOCADJLLHUIH-KGLIPLIRSA-N 286.202 4.531 30 10 CJEE CCCC[C@H](C)c1nc2cc(C#N)ccc2n1C1CC1 312338406 CPXJVZBWWYBSEO-LBPRGKRZSA-N 267.376 4.537 30 10 CJEE CCCCCCCOC[C@@H]1C[C@@H](C)Nc2ccccc21 312524467 OYWYAPMHRKGURD-CVEARBPZSA-N 275.436 4.961 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C=O)CCc2ccccc2C1 317038938 VXWNIHUSJMRMHK-VQIMIIECSA-N 272.432 4.967 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)C[C@H]1CCCc2ccccc21 317073895 ZQYMULUWGVDZHK-QGPMSJSTSA-N 256.389 4.502 30 10 CJEE C[C@H]1CCC[C@](C=O)(CCSc2ccccc2)C1 317456020 UNFSEILCNUXFOA-HOCLYGCPSA-N 262.418 4.564 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(OC)nc1 383913712 QDWQSXGEFBDBPR-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1Cc2ccccc2S1 384912280 YQYZJDZFWBKKAY-FRFSOERESA-N 271.429 4.814 30 10 CJEE CCc1cccc(N=C2N[C@@H](C3CCCCC3)CS2)c1 385946202 BYNKPNKYYXDSPR-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@@H]2C[C@H]12 386073996 MFAVAOMNXZFWMU-RDBSUJKOSA-N 259.418 4.565 30 10 CJEE C=C(C)CCN[C@H](C)c1cccc(Cl)c1Cl 386838126 XCBBKGQKKJVFNO-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 388525270 VMGJOTXGTAWOJB-RSJGLCBASA-N 261.453 4.537 30 10 CJEE N#CCc1cc(-c2c(Cl)cccc2Cl)cs1 390125509 HPXPRRDSAXYOOQ-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@@H](OCC)C1(C)C 393239586 GRASDRLOWNJVIK-IXDOHACOSA-N 283.500 4.776 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)CCCC2 393779496 NJRKUKPVVCUEAS-KSSFIOAISA-N 257.421 4.571 30 10 CJEE CCCC(CS)(CCC)COCC[C@@H](C)SC 394842357 GJJDQXSYTBEVTK-CYBMUJFWSA-N 278.527 4.661 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)COC 395460129 FDUOEIZURSNWTO-OAHLLOKOSA-N 258.446 4.551 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1ccc2ccccc2n1 397560042 UXSIERGSSQGIJL-CYBMUJFWSA-N 270.401 4.513 30 10 CJEE C=CCCC[C@H](O)c1cc(Br)c(Cl)s1 404248668 KOIAKLZFFBACJY-QMMMGPOBSA-N 295.629 4.554 30 10 CJEE N#Cc1cccc(-c2cccc(Cl)c2Cl)c1F 514260882 ULHIEMXGTPOJKZ-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCC2 682803849 ULNDYMCMOYMADE-MRXNPFEDSA-N 283.415 4.667 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC[C@H]2CCOC2)C1 688019740 AJRJJBPCGOKPLS-HNNXBMFYSA-N 280.452 4.615 30 10 CJEE CC(C)(C#N)CCCCNc1cc(Cl)cc(F)c1F 690969107 NKFRYJFKIWFZDR-UHFFFAOYSA-N 286.753 4.750 30 10 CJEE CCC(F)(F)C(C)(C)CNc1ccc(Cl)c(C#N)c1 691012009 NHUXCOPKABZDKV-UHFFFAOYSA-N 286.753 4.695 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](C)c1ccccn1 692658459 YUTBFQVNNSUTGC-CVEARBPZSA-N 262.441 4.524 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)c2cc3cscc3s2)c1 694332581 SGJKPXUVMDFTJN-CYBMUJFWSA-N 297.404 4.761 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(SC(F)F)cc1 695785395 CZFVZWSEQBGBMG-JTQLQIEISA-N 284.375 4.742 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCC2(CC2)C1 695987707 AMPYNLLIVUAIJA-HOTGVXAUSA-N 266.473 4.539 30 10 CJEE CCCCCCCC[C@H](CNC(C)C)C1CCOCC1 696846506 UHGAQBWABRHSDD-GOSISDBHSA-N 283.500 4.778 30 10 CJEE COC(C)(C)c1ccc(C(=O)C=C2CCCCC2)cc1 700563524 VOTLGWXZOXFBBD-UHFFFAOYSA-N 272.388 4.641 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCCc2ccccc21 701868787 WVYVSQSIKGQGSA-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE C=CC(C)(C)CCN[C@H]1c2ccccc2CCC1(C)C 701895370 DYXIPSMRKGQLAG-KRWDZBQOSA-N 271.448 4.892 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(C)cc(C)c1 703989157 MRWJPRNPUJCDIG-MRXNPFEDSA-N 259.437 4.946 30 10 CJEE CCCCCCCC[C@H](CC1CC(OC)C1)NCC 704178463 IHJPVQHVHQQNIQ-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE C=C[C@H](C)O[C@@H]1CCCCCCCCCC[C@@H]1NCC 706075147 VBHHYPGNFYVNEQ-OKZBNKHCSA-N 281.484 4.839 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1cc(C)c(C)cc1C 706423820 AKVZMJLBLOZYSS-MRXNPFEDSA-N 259.437 4.865 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(C)c1C 709383983 XDCSPJXZODQGHA-WMZOPIPTSA-N 257.421 4.528 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714430544 RRDBRACXHYWJKF-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](O)CC[C@H]1C[C@@H]1C1CC1 715522427 AIZOIJRJPDWDMN-YESZJQIVSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@@H](CC)CC[C@H]1CNCC(C)C 715798194 WABAZFPQVWVKKM-XSLAGTTESA-N 265.485 4.887 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC(C)(C)CO1)NC 717037644 DFAILNGGABPWQF-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCNCC[C@@H]1CC[C@@H]2C[C@H]12 717136937 NGZUIUNTMMPULZ-GVDBMIGSSA-N 251.458 4.763 30 10 CJEE Cc1cccc(N[C@@H]2CCCCCC2(C)C)c1C#N 719214478 QANBDOZBJPKLSG-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)NC1CCCCC1 720348497 AMSKSIUJJBDDIF-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2sc(C)nc2C)CC1 724596784 QSJIJPJWNBGSKC-OAHLLOKOSA-N 278.465 4.547 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(F)(F)CC)CC1 724601884 HKXKVLPFCDYLRP-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C(=O)N(C)[C@H](C)C1CCCCC1)c1ccccc1 1128357569 PMBACVVEBSFIME-APWZRJJASA-N 299.458 4.774 30 10 CJEE C=CCCCCCCNC(=O)C[C@H]1CCCc2ccccc21 1128844547 CAHFSKLEYVAAIA-GOSISDBHSA-N 299.458 4.749 30 10 CJEE C=CCC1(NC(=O)[C@H](CC)CCCCC)CCCCC1 1128926247 DQSWXEXPNGZBAN-MRXNPFEDSA-N 279.468 4.988 30 10 CJEE C=CCCS[C@H](C)c1ccc(OC(F)(F)F)cc1 1165585649 PLCDOSLYGZNCIT-SNVBAGLBSA-N 276.323 4.956 30 10 CJEE C#Cc1ccc(NC/C=C/c2ccc(F)cc2)c(Cl)c1 1179702097 XIMSRNWEQKKXMJ-ONEGZZNKSA-N 285.749 4.586 30 10 CJEE C=CCCCCCN1c2ccccc2CC[C@H]1CC 1192043456 UOCNFSBBOIUSHA-QGZVFWFLSA-N 257.421 4.964 30 10 CJEE C=C(C)[C@H](N[C@H]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 1205434854 RNUZDOYXHCEVND-JDFRZJQESA-N 279.374 4.750 30 10 CJEE C=CCCCC[C@@H](C)NCCc1nsc2ccccc12 1206800580 LWIVHWGICQHYFD-CQSZACIVSA-N 288.460 4.563 30 10 CJEE C=CCN(Cc1ccccc1)Cc1cccc(C(F)F)c1 1207133645 SXPMDUKAZUQBHM-UHFFFAOYSA-N 287.353 4.812 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)[C@H](C)CCC)c1ccccc1 1264521687 HULNTPULYKOIGT-SJLPKXTDSA-N 287.447 4.774 30 10 CJEE C=CCC1(C(=O)NCC[C@H]2CCCC[C@H]2C)CCCCC1 1360500270 LWQFNEKIPDIKCE-IAGOWNOFSA-N 291.479 4.846 30 10 CJEE C=CCCC[C@H](Nc1cc(CC)ncn1)c1ccccc1 1458557749 CQZVEGQAINAZSP-KRWDZBQOSA-N 281.403 4.549 30 10 CJEE C=C1CCC(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)CC1 1458715383 OPGONMTXLOXNOA-DNVCBOLYSA-N 297.442 4.563 30 10 CJEE C=CC[C@H](C)N1CCC(c2c[nH]c3c(CC)cccc23)CC1 1459348367 QYYQHTFJFUPHMV-HNNXBMFYSA-N 296.458 4.874 30 10 CJEE C=CCC[C@H](N[C@@H]1CCC[C@@H](SC)C1)c1ccccc1 1474078962 RKQGZKRVQCGJHD-KURKYZTESA-N 289.488 4.958 30 10 CJEE C#CCOc1ccccc1NCc1cc2ccccc2s1 1474117146 GZXZYBKALMQGMT-UHFFFAOYSA-N 293.391 4.525 30 10 CJEE C#CCCCCCCNCc1ccc(-c2ccco2)cc1F 1474493382 OFLXDXCQCMEXRP-UHFFFAOYSA-N 299.389 4.759 30 10 CJEE C=CCCC[C@H](N[C@@H](C)CC1CC1)c1ccccc1 1474685764 ASTJNUFHBDCGMD-YJBOKZPZSA-N 257.421 4.862 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cc(Cl)cc(Cl)c1 1522526841 OGQZPVQTVBOGSG-UHFFFAOYSA-N 284.186 4.700 30 10 CJEE C#CCCCCCC(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 1523760166 IWRXAJVKGUPKGL-ZWKOTPCHSA-N 291.479 4.778 30 10 CJEE C=CCC1(CNC(=O)c2ccc(CCCC)cc2)CCCC1 1525698981 AYYXQWFECSMOMC-UHFFFAOYSA-N 299.458 4.896 30 10 CJEE C=C(C)c1cccc(NC(=O)CC2(C#N)CCCCC2)c1 1537414291 JNCASGGAVILAEV-UHFFFAOYSA-N 282.387 4.522 30 10 CJEE C#CC[C@H]1CCCN(CC2CCC3(CCCCC3)CC2)C1 1560901589 XDLQPTVZNXSNBG-SFHVURJKSA-N 287.491 4.862 30 10 CJEE C=C[C@H](CC(=O)O[C@@H](C)c1ccccc1F)c1ccccc1 1584091635 AVWAQDFENJDJSO-LSDHHAIUSA-N 298.357 4.790 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCc1ccccc1 1586146066 UDIRVVFYIITXGW-MOPGFXCFSA-N 299.458 4.651 30 10 CJEE C=C[C@H](OC(=O)CCCCCCC)c1ccccc1 1586194952 RFVGNUSSFNIALS-INIZCTEOSA-N 260.377 4.817 30 10 CJEE C#C[C@@H](N[C@H](CC)CCCC)c1ccc(Cl)cc1F 1621328321 QNOLQQCMBXJERG-CZUORRHYSA-N 281.802 4.712 30 10 CJEE C=C[C@@H](CC)CC(=O)N1[C@H](C)C[C@H](c2ccccc2)C1(C)C 1624983912 PWPNFLAGUTZDRX-SOLBZPMBSA-N 299.458 4.772 30 10 CJEE C=C(C)c1cccc(NC(=O)N(Cc2ccco2)C(C)C)c1 1628030734 CWJBSDXAPVSRKG-UHFFFAOYSA-N 298.386 4.755 30 10 CJEE C=C(CC)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 1633511348 HNBSAVXKZXFGHZ-UHFFFAOYSA-N 293.794 4.566 30 10 CJEE C=CCCCCCCCCNC(=O)/C=C/C(C)(C)C 1637053255 WJAFFFUBUOWSKH-BUHFOSPRSA-N 265.441 4.622 30 10 CJEE C=CCN(CCSc1ccc(Cl)cc1)C(C)(C)C 1643856865 CKRKOFHTKMJGPY-UHFFFAOYSA-N 283.868 4.719 30 10 CJEE C#CCCCCCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 1645116982 CNSGZYIGDZMZQR-LJQANCHMSA-N 287.422 4.759 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccccc2CC(C)C)C1 1647405578 VNGSSEPACAPTIK-KRWDZBQOSA-N 271.448 4.673 30 10 CJEE C=CCC1(CNc2nc3cccc(C)c3o2)CCCC1 1651062605 OCQXCLRZJHDEHA-UHFFFAOYSA-N 270.376 4.685 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1cc2ccccc2s1 1652215400 IGWILXODVXGWGU-CHWSQXEVSA-N 259.418 4.907 30 10 CJEE N#Cc1cc(Cl)cc(OCCC2CCCCCC2)c1 1652868283 DVKNPZDHGYJHIB-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE C=CC[C@@H](C)N1CCC(Oc2ccc(C(C)C)cc2)CC1 1653166765 NQYOTHCGNNTLCC-MRXNPFEDSA-N 287.447 4.618 30 10 CJEE C=CCN(CCc1ccccc1)CCC(C)(C)CC 1653271558 IFOJJSYKJDMFJY-UHFFFAOYSA-N 259.437 4.543 30 10 CJEE C=CCCCN(CC)[C@H]1CCc2cc(Cl)ccc21 1656402344 QXJQRKKMKPPURO-INIZCTEOSA-N 263.812 4.615 30 10 CJEE C=CCCC1(CNCc2cccc(Cl)c2N)CCCC1 1656622509 IJWLCZADILLEOL-UHFFFAOYSA-N 292.854 4.538 30 10 CJEE C#Cc1cccc(N(C)CCCCc2cccc(Cl)c2)c1 1657206467 XZMLJEUTRTWWQW-UHFFFAOYSA-N 297.829 4.780 30 10 CJEE C=CCCCCCN(C)C[C@H]1CC[C@@H](c2ccccc2)O1 1657378408 ZUTNAIAYEPKEOC-MOPGFXCFSA-N 287.447 4.585 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1C[C@@H](C)Oc2ccccc21 1658153383 NDQAITSVUMIFBK-ZMSDIMECSA-N 273.420 4.623 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(C)cnc1OC(C)C 1659282767 ODXKJNCUBKDMRC-HNNXBMFYSA-N 276.424 4.724 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cnn(CC(C)C)c2C2CC2)C1 1659342914 NHXWMLYOBWBTSE-GDBMZVCRSA-N 287.451 4.573 30 10 CJEE C=CCC1(NCC#Cc2ccc(Cl)cc2)CCCCC1 1659792957 HVJIHIDFDORLLC-UHFFFAOYSA-N 287.834 4.560 30 10 CJEE C=CCCCCCCNC(=O)Nc1cc(C)ccc1Cl 1772560854 VWTATPPOMOIWCJ-UHFFFAOYSA-N 294.826 4.906 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C1(C(C)(C)C)CCC1 1876758347 NZCMPCROJJYLEO-HNNXBMFYSA-N 263.469 4.621 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C#N)C[C@@H](C)O[C@@H]2C)CC1 1878371992 QKBARNCPVVOREU-HHARLNAUSA-N 263.425 4.690 30 10 CJEE CCCCCCCO[C@@](CC)(CCCCC)C(=O)O 1879210135 UAZALWMJBNTDFT-INIZCTEOSA-N 272.429 4.787 30 10 CJEE CCCCC[C@](O)(CC)C(=O)C1=CCCCCCC1 1879216311 SQFONRKHDXEAMX-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE CCCCCCCCN1CC[C@](C)(CC)CCC1=O 1883312229 CQNBSEBQOPINAO-QGZVFWFLSA-N 267.457 4.776 30 10 CJEE CCCCCCCCCN1C(=O)C[C@@H]2CCCC[C@@H]21 1883430499 SIWYUEYFULOLJO-HOTGVXAUSA-N 265.441 4.528 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CO[C@H](CC)C1 1883840571 RGXFAOMOQAVKIT-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=CC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)cs1 1884712126 HLYLCPNZJIVIAX-GFCCVEGCSA-N 289.366 4.698 30 10 CJEE CC#CCCCC[C@H](NCC)C1CCC(C)(C)CC1 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280.452 4.757 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](CC)CCOC 2207437361 PZTXIUYSEZYOOR-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE CCCCCCCCCN[C@H](CC(=O)O)c1cccs1 2207450071 QTZMRFIPCCYWGV-CQSZACIVSA-N 297.464 4.604 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CC1=CCCC1)NCC 2207453269 LASYNEYHRLXLMH-ZWKOTPCHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1cccs1 2214765339 IRKWBVXMZHLJPU-KRWDZBQOSA-N 271.451 4.680 30 10 CJEE CCCCCCCCC[S@](=N)(=O)CC1CCC1 2216671947 CRBQTQAFUQPJQS-KRWDZBQOSA-N 259.459 4.584 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CC[C@@H]1C(F)(F)F 2217719736 NBJTVSQWZLRIMF-MROQNXINSA-N 259.315 4.685 30 10 CJEE C[C@H](CCS)CCN(C)CCCCCCC1CC1 2218671984 WRRKWNDWJMOKFY-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE CC(C)(C)OC1CC(CCC2(C=O)CCCCC2)C1 2224737348 DHAPTPUCWRCSNM-UHFFFAOYSA-N 266.425 4.510 30 10 CJEE C=CCCCCCCCN[C@H]1CCCc2scnc21 2229755991 SPGHOGUPJDTOGS-AWEZNQCLSA-N 278.465 4.637 30 10 CJEE CCCCCCCCO[C@H](C)[C@H](C)CN[C@H](C)CC 2230215083 XNPZQFNMRFTJCQ-BRWVUGGUSA-N 271.489 4.776 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)c1ccc(F)c(Cl)c1 2230506079 DOCBHWBXLCHZCP-GFCCVEGCSA-N 281.802 4.569 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CCC)CNCC(C)C 2231010254 BFQXEPKTXGZTOE-SJORKVTESA-N 269.473 4.552 30 10 CJEE Cc1cc(Cl)cc(C(=O)C#Cc2ccc(Cl)cc2)c1 2231024644 JBTNIBRTNXGNLS-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE FC(F)(F)[C@H]1CCCC[C@H]1OCC1(CS)CCCC1 2231401024 ZFQCBDLIVNSNBZ-NWDGAFQWSA-N 296.398 4.614 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@@H]1CCO[C@@H]1C 2231898587 HEYFPNFVTHJQDY-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](OCC)C1CC1 2231930257 POGMSLUKQGXLDQ-RDJZCZTQSA-N 269.473 4.530 30 10 CJEE C=CC[C@H](C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)NCCC 2233687207 XJDSWTDOASDGPE-LVQVYYBASA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCCO[C@@](CC)(C(=O)O)C1CC1 2234038189 TUWJEKNXCLGUOY-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](O)[C@](C)(CC)N(CC)CC 2235525440 ZUIWAUKAFHAPPE-ROUUACIJSA-N 283.500 4.775 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)c1sc(C)c(C)c1C 2236835069 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C=CCCCSCc1cc(Cl)cc(Cl)c1N 2244564551 SAKODTICRRKHHQ-UHFFFAOYSA-N 276.232 4.775 30 10 CJEE C=CCCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 2255395910 TVRBKXZJEXFSEE-CYBMUJFWSA-N 288.218 4.748 30 10 CJEE C=CCCCCCC(=O)c1cc(OC)ccc1Cl 2256173892 LMHRCMXUKYARKZ-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCCC(F)(F)F)C1 2256441644 CBNSCYFNFFVPDP-WOPDTQHZSA-N 279.371 4.781 30 10 CJEE C=CCCCCCC[S@](=N)(=O)C[C@@H]1CC[C@H](C)C1 2256649715 STGCQQPYFMLUMW-DAYGRLMNSA-N 271.470 4.606 30 10 CJEE CC(C)(C)C#CC=CCOc1cc(Cl)ccc1Cl 2256682172 VTOFXAVHFQPDNO-UHFFFAOYSA-N 283.198 4.978 30 10 CJEE C=CCCCCCCCSc1ncc([C@@H](C)N)s1 2258976150 OSMSVMUUZBZRGG-GFCCVEGCSA-N 284.494 4.782 30 10 CJEE C=C(C)CCCCC(=O)[C@H]1CCC[C@H]1C(F)(F)F 2259177940 CFHJNMKPANNUKJ-NWDGAFQWSA-N 262.315 4.671 30 10 CJEE Fc1c(Cl)cc(NCC#CC2CCCC2)cc1Cl 2261101632 UIEZYIZREDLWFG-UHFFFAOYSA-N 286.177 4.738 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@@H]1[C@H]2CCC[C@H]21 2263660258 GSFZCPSXDCZDOE-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CC#CCCC[C@H](C[C@@H]1CCCCC12CC2)NCC 2264852592 OCFAZCGQYXRURD-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@H](C(F)(F)F)C1 2264991167 NFIOLTLUEFEBIV-CRWXNKLISA-N 277.374 4.545 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncc(F)cc1C 2266347981 DQKOAHRRMZKNPU-OAHLLOKOSA-N 267.388 4.703 30 10 CJEE CCc1ccc(NCC=CC#CC(C)(C)C)cc1Cl 2268752279 IQWRESQBYDIYSP-UHFFFAOYSA-N 275.823 4.920 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)c1cnc(C)s1 2269656701 HSQSGSURPBMTGH-NSHDSACASA-N 290.457 4.903 30 10 CJEE CC=C(CC)C(=O)c1cccc(-c2ccccc2)c1 2269814259 FVYKOICYSAUOHG-UHFFFAOYSA-N 250.341 4.893 30 10 CJEE C=C(C)CCCC[C@H](NN)c1csc2ccccc12 2271786201 YOTZQNYKDTZMEC-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE C=C(C)CCCC[C@H](C[C@H]1CCCC1(F)F)NCC 2271797989 NKATWICJSYJFBD-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=C[C@@H](C)CCNCc1cccc(SC(F)(F)F)c1 2273024558 CQGRACPOQPTULR-LLVKDONJSA-N 289.366 4.600 30 10 CJEE C#Cc1ccc(NCC2CC(CC(C)(C)C)C2)cc1 2274197670 OIPNRHAMDLBXDG-UHFFFAOYSA-N 255.405 4.542 30 10 CJEE C=CCCCCCC[C@@H](OCCN)[C@@H](CC)CCC 2276147778 MENHDEVXURDMBK-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CN(CCCCCCCS)[C@H]1C[C@@H]2CCCC[C@@H]2C1 2277506876 JXUULUQUBVQULW-BJWYYQGGSA-N 283.525 4.767 30 10 CJEE Cc1cc(Cl)cc(C(=O)C#Cc2ccccc2Cl)c1 2277775705 MEHXIQCGFMPCEV-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE C=CCCCCCC[C@@H](O)Cc1ccc(Cl)c(F)c1 2277790373 GJVZOJLHEDZODE-CQSZACIVSA-N 284.802 4.909 30 10 CJEE C=CC[C@H](C)C(=O)[C@](C)(O)CCCCCCCCC 2278177364 GZJVLJNHODXYFO-DOTOQJQBSA-N 268.441 4.659 30 10 CJEE CCCCCCCCCCCCO[C@]12CCNC[C@H]1C2 2279986807 YZLUMEQNVGLJPR-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C)c(C#N)c(C)c2)cc1 2280565118 ZUROOJXEXCLUID-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE CC(C)C(C)(CN=C1N[C@@H](C(C)(C)C)CCS1)C(C)C 2283861934 VBNURVULBLPERQ-CQSZACIVSA-N 298.540 4.802 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCC12CCC2 2284177115 GKKCSLNCIAUHTK-SJORKVTESA-N 273.464 4.541 30 10 CJEE CCCCCCCC[C@H](C[C@H]1COC2(CCC2)C1)NC 2284818881 QQFGFQMIWVESDT-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C#N)CCCC(C)(C)C1=O 2284947672 TYYXLOKYNNCAFF-RVKKMQEKSA-N 275.436 4.882 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CCCc2ccccc21 2287467421 NOCXXRPMXKXZFM-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1CCC2(CC1)CC2 2289705860 RPQVWBCMOWHILZ-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCNC[C@]1(CC#CC2CCCC2)CCCCC1(C)C 2289901377 OWYVWWHWXNNIOF-LJQANCHMSA-N 275.480 4.766 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)C1(CC)CC1 2290572479 WQBZPBKLFKPJEC-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@@]1(OCC(=O)O)CCCC[C@H]1CC 2291438473 DGQGVBLHKIYWGB-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@@H]1CCCC[C@@H]1C 2292782372 QDWNEQZHJWOLNV-KSZLIROESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)cc(C)c1 2292792741 WVGYBWHPGKBUAE-SFHVURJKSA-N 277.452 4.680 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cccc(Cl)c1F 2292883815 AJNRWPJXHCQGPV-OAHLLOKOSA-N 299.817 4.632 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CC1(F)F)OCCN 2293180423 JAEBCVVBYKHIMB-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@H]1C1CCC1 2293374629 PRVPOFLJESOLGN-ROUUACIJSA-N 281.484 4.661 30 10 CJEE C=CCC[C@](C)(OCCCN)C1CCC(CCC)CC1 2293416134 KTMNWMOMVTXGLI-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC12CCC2 2293686721 ZUXYQKRQBQOGQZ-SFHVURJKSA-N 281.484 4.805 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CC(C)(C)CCC1(C)C 2294253070 XTRWYYMXBDWBEQ-SFHVURJKSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@@H](C)C[C@@H](C)C1 2294576625 VUQQVNYZVMJNAG-BCDXTJNWSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCN=c1ccc2cccc(Cl)c2[nH]1 2294991372 KPWSIQCBOWTAQH-UHFFFAOYSA-N 288.822 4.859 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@H]1CCC[C@@H](N)C1 2295513967 CZPUQDLWJIVCKW-KSZLIROESA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1COC2CC1C2 2295680931 BPLLOZSYCWAZBW-PBHCIXSXSA-N 281.484 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1c(Cl)cccc1Cl 2304033654 UQBSCBIAVBXFLA-KGLIPLIRSA-N 272.219 4.986 30 10 CJEE CCCCC[C@@H](CC)OC[C@H](CS)CC(C)C 2308056220 JFMJAVCADVNJTA-HUUCEWRRSA-N 260.487 4.954 30 10 CJEE CCCCCCCC[C@@]1(F)C[C@@H]2CC[C@H]1C[C@@H]2N 2313009125 RRQBEHMRZPICBN-YHUYYLMFSA-N 255.421 4.593 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)C1CCCCCC1 2313647225 FJXHTJSYTZZAQZ-GDBMZVCRSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@]1(C)CC[C@H](C)C1(C)C 2316738316 GYZXRYRKJMVDQS-QRTARXTBSA-N 250.426 4.578 30 10 CJEE C=C[C@H](C)C[C@@H](CC1CCCCCC1)NCCC 2316879088 CSRKYAIAGNHDTN-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1cccc(Cl)c1Cl 2321222556 BMRMQQYVLJGZHC-DZGCQCFKSA-N 287.230 4.889 30 10 CJEE C=CCC(C)(C)[C@H](O)CC1CCC(CCC)CC1 2321223893 PENRWWUWWQIRFK-UYSNPLJNSA-N 252.442 4.946 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1cccc(Cl)c1)C2 2321726575 YZXSSXBEWZLIBC-UHFFFAOYSA-N 259.780 4.702 30 10 CJEE CCCCCCCC1CCC([C@@H]2CCNC2)CC1 2327903157 NETGBSJKGJNEIT-OFLPRAFFSA-N 251.458 4.763 30 10 CJEE CCCCCCCCC[C@@]1(O)CC[C@@H]2[C@H](C1)C2(F)F 2329711983 OMWIWXSJYLGCMO-QLFBSQMISA-N 274.395 4.923 30 10 CJEE O[C@H](C#CC1CC1)c1ccc(-c2cccc(Cl)c2)s1 2337412376 GUWWYMQBIRCCMN-CQSZACIVSA-N 288.799 4.515 30 10 CJEE CCCC#CC[C@H](NCC)c1ccc(F)c(C)c1Cl 2338553794 HADPMWUPVKZFFC-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CC12CCC(F)(F)CC2 2338659780 JZGKTMMSOQQVEH-CYBMUJFWSA-N 268.347 4.540 30 10 CJEE Cc1c(CNCCC#CC(C)(C)C)ccc(Cl)c1Cl 2338660873 BLSYMKCZFUSFRO-UHFFFAOYSA-N 298.257 4.831 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(C(F)(F)F)cc1 2338667880 UETXMLXOGXOFPO-UHFFFAOYSA-N 268.278 4.657 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1ccccc1C1CC1 2341744263 IMEIYMSHZACJJY-GOSISDBHSA-N 253.389 4.827 30 10 CJEE CCc1cscc1N=C1N[C@@H](C2CCCCC2)CS1 2341943369 XCMPJICCULEARN-CQSZACIVSA-N 294.489 4.583 30 10 CJEE C=CC[C@H](C[C@@H](c1ccccc1)C1CCCC1)NC 2342479322 GAILYLJWXUKZIH-MSOLQXFVSA-N 257.421 4.515 30 10 CJEE CC1(C)CCC(C=O)(CC[C@H]2CC[C@@H]2C2CC2)CC1 2342565535 MFNNWOFKKPPDNG-HZPDHXFCSA-N 262.437 4.988 30 10 CJEE C=CC[C@@H](C)[C@@H](CCC(C)(C)C(F)(F)F)NCCC 2344345816 OSBKDIVQXKSNLP-CHWSQXEVSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1 2344377349 SHAUDKNFLBHSDV-SFFUCWETSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@](C)(N[C@H](C)C(CC)CC)C(=O)O 2353866965 GTPOHFLWOLBJIF-PBHICJAKSA-N 285.472 4.605 30 10 CJEE O=C[C@]1([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CCC2 2355392819 QDACKNQWAKVHGY-FQLMCAECSA-N 282.374 4.597 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NN 2357829081 HKDHSPBMYHKNGZ-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)C[C@@H]2OCCC[C@@H]21 2358322930 YXLLQTFZMHBGJH-OKZBNKHCSA-N 279.468 4.580 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)c1cccc(F)c1 2360201583 OTINNUQMEXCSFE-KRWDZBQOSA-N 293.451 4.730 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc2c(s1)CC[C@@H](C)C2 2360212536 IGROGYXNSZGSOU-GFCCVEGCSA-N 290.428 4.551 30 10 CJEE CC(C)c1cc2c(cc1O)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1CC2 32271342 POQWLCRKASQCAO-XLIONFOSSA-N 298.426 4.501 30 10 CJEE Cc1sc2nc(C(C)C)c(CC#N)n2c1-c1ccccc1 36256437 HGJXFABWWLUEKI-UHFFFAOYSA-N 295.411 4.561 30 10 CJEE C=CCOc1ccccc1CNc1ccccc1SCC 37779273 RDCPHGNUWSXDET-UHFFFAOYSA-N 299.439 4.976 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 37937000 OXWFGJBYPAFXFW-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(C)c2)C1 40696148 WRKDLELFDUSIBK-SQWLQELKSA-N 259.418 4.806 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Sc1cccc(Cl)c1 54185547 JDZUMUPZUALHLA-GWCFXTLKSA-N 251.782 4.514 30 10 CJEE CCCc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 54824990 LBCRLXNDKNDGJL-WBVHZDCISA-N 256.393 4.523 30 10 CJEE CC(C)c1ccc(C[C@](C)(C#N)c2ccccc2)cc1 57744023 ZTRSCGLWTYVVMR-LJQANCHMSA-N 263.384 4.834 30 10 CJEE CC(C)(C)c1ccc(C[C@@H](C#N)c2ccccc2F)cc1 57744724 HTXQZMKRLXVKDN-HNNXBMFYSA-N 281.374 4.973 30 10 CJEE CCCCCCCOC[C@H](N)C12CC3CC(CC(C3)C1)C2 59083355 JLWUFYKUKPQMGZ-NNGLDNROSA-N 293.495 4.517 30 10 CJEE CCCCCCCC(=O)c1c[nH]c2cc(F)ccc12 59211617 XAOITAYGRIDITB-UHFFFAOYSA-N 261.340 4.850 30 10 CJEE N#C[C@@H](C(=O)CCC1CCCC1)c1ccc(F)cc1Cl 62610316 MGUZNYSWZXWWCH-CQSZACIVSA-N 293.769 4.626 30 10 CJEE C[C@H]1C[C@H](Nc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C 84983462 XDSFZKNHCNYQFZ-JKIFEVAISA-N 270.420 4.724 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86897415 BMDMDTGUFAIRDG-TZMCWYRMSA-N 276.811 4.982 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCC[C@H](CC)C2)cc1 87972826 RVYVDUONMAHTKC-FUHWJXTLSA-N 255.405 4.902 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCCC[C@@H]1CN 91367140 OOOFFZCOAATFEQ-MSOLQXFVSA-N 283.500 4.909 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)c2sccc2C)CC1 91885105 CDPBATYGQODDMH-WIHSUSGWSA-N 291.460 4.764 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCC(CC)(CC)C2)C1 94802951 VNYQNRBRBTUXPC-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCC(C)(C)CC2)C1 94859615 WPHQFZVYYGBMMH-JFIYKMOQSA-N 290.495 4.996 30 10 CJEE CC(C)C1CCC(C#N)(Nc2ccc(Cl)cc2)CC1 103989853 KGWRNFBFEXEFRI-UHFFFAOYSA-N 276.811 4.860 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(Cl)ccc1OCC 107582293 QJAPNQHPXIIRGJ-CHWSQXEVSA-N 264.796 4.892 30 10 CJEE CCCCCCCCO[C@@H](CNC)c1ccccc1C 110070283 ZATAEJVQRNJENZ-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCC[C@H](Nc1cccc(F)c1)C(=O)OCC 110320533 DHLXSWCRHXAICX-INIZCTEOSA-N 295.398 4.530 30 10 CJEE CCCCCCCOc1ccc(CO)cc1C(F)(F)F 110465804 UCNJLSAIAPHXKJ-UHFFFAOYSA-N 290.325 4.547 30 10 CJEE CCCCCCCCOc1cccc(Br)n1 111878893 BZSCGYOTFNAHSV-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE CCCCCCCn1c(CNCC)cc2ccccc21 112931055 UFYGKEZZZQYGEV-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NC[C@@H]1C(C)(C)C 114058208 AFCKXXPDGRYXRK-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE C=CCC[C@H](NCCC)c1sccc1Br 128997278 YMTBLICUSFTRSZ-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](NCC)C1 133481603 ZVLUHIMIFFBRBP-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(N(C)C)cc1 139683762 KNUJIEDNQVRBKS-SFHVURJKSA-N 276.468 4.764 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCO[C@@H]1C 149685340 XETWESGRHGFVJC-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CC)CC[C@H]1CNCCC 156059460 YTVREXFRNMTOTI-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE CCc1cc(Oc2cc(C)nc(C)c2C#N)ccc1Cl 156603535 MBFLTNPVDODPHB-UHFFFAOYSA-N 286.762 4.578 30 10 CJEE N#CC1(Cc2ccc(F)cc2F)CCCCCCC1 158879304 XVAGBGSDBGHDOF-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE CCCCCCCCNc1nc(C(F)(F)F)ccc1C#N 159330345 QEYWYXNZHQZGDM-UHFFFAOYSA-N 299.340 4.744 30 10 CJEE Cc1ccc(NCc2ccc(C#N)cc2Cl)cc1Cl 162572039 ZJUGZYQAKYSXRI-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCC(=O)c1ccc(F)c(OC)c1 164754763 GUWABPSXGKODRZ-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCC[C@@H](O)c1c(C)oc(C)c1C 168343443 ALGMHEFTCSQJND-OAHLLOKOSA-N 252.398 4.989 30 10 CJEE Cc1ccc(CS[C@H](C)c2cccc(C#N)c2)c(C)n1 190828642 WUIORIDIEMWLNU-CQSZACIVSA-N 282.412 4.565 30 10 CJEE CCC[C@@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 211460174 VWXHQONBCXIJKV-BRSBDYLESA-N 290.495 4.996 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1cc(Cl)ccc1C#N)C2 222316727 AIVLWZYPIRGOKW-NUTKFTJISA-N 288.822 4.838 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CCCC[C@H]1C(C)(C)C 229674655 FEMOFZHUZYLYCS-HUUCEWRRSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCOc1cc(C(N)=S)ccc1C 232313567 BOWXSVGDFHDVJD-UHFFFAOYSA-N 293.476 4.759 30 10 CJEE CCC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCC1 232935555 WOTZWBXIAXLMSI-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CC[C@H](C)CSc1ccc(C(F)(F)F)cc1C#N 234033560 RGZGZSRXVIWBAM-VIFPVBQESA-N 273.323 4.715 30 10 CJEE O=C(Cc1cccc(C(F)(F)F)c1)C1=CCCCCC1 236123136 GRWWDVKLTGJTGJ-UHFFFAOYSA-N 282.305 4.708 30 10 CJEE CCSc1cccc(N[C@H]2CC[C@H](C)CC2)c1C#N 253125089 LACJJBGHHJBNAU-JOCQHMNTSA-N 274.433 4.661 30 10 CJEE CCO[C@@]1(C(=O)C2=CCCCCCC2)CCC[C@H](C)C1 300191360 KHBAFCOPOVOQST-YJBOKZPZSA-N 278.436 4.822 30 10 CJEE C=CCCCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1 303711171 CONOYOANVIINEK-UHFFFAOYSA-N 294.398 4.784 30 10 CJEE C=CC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 309897638 OCVSEQAWMLILCC-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE C=CCCCCCCNCc1cccc(Br)c1 310131092 HNUFKDAYJKQFGN-UHFFFAOYSA-N 296.252 4.675 30 10 CJEE C=C(CNc1ccc(C)c(CC)c1)c1ccccc1 311380895 KCKPFOOWVLLCHU-UHFFFAOYSA-N 251.373 4.683 30 10 CJEE CCCCCCCC[C@H]1COC(C)(C)[C@H]1NCCC 311705533 TULSQXICLXKEID-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCC1CCC(C#N)(c2ccnc(C)c2Cl)CC1 312117232 RCIJZZZOJGTKKM-UHFFFAOYSA-N 276.811 4.795 30 10 CJEE C=C(CC)CN[C@H](Cc1cccs1)c1cccs1 313496751 BQJIRNNLPXVUAR-CQSZACIVSA-N 277.458 4.649 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCCCc1ccccc1 316713677 DOMLCGBBIHLQRV-WMZOPIPTSA-N 258.405 4.795 30 10 CJEE C=CCCCCC[C@@]1(CNCCC)CCC[C@@H]1C 317363511 AXACYTDURAKSRB-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=C1CCN(c2ccc([C@H](C)NCCC)cc2Cl)CC1 382576709 GKKHBADZFIZCPI-AWEZNQCLSA-N 292.854 4.557 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)c1ccncc1 383725722 KYTHLZCNYWVQCQ-HNNXBMFYSA-N 294.508 4.591 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)ccc1F 384881104 QWEZOPKSFJTAHM-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[C@H](CC#N)O1 386154650 PMKHOIDKDQGTFG-RISCZKNCSA-N 284.186 4.691 30 10 CJEE C=C(C)CCN[C@H](C)c1sc2ccccc2c1C 386743976 FACWWRFYEJELSH-CYBMUJFWSA-N 259.418 4.827 30 10 CJEE CCCCCCC[C@]1(C)CC[C@H](CNC(C)(C)C)O1 388436141 WREHSVKPJMFQGM-NVXWUHKLSA-N 269.473 4.673 30 10 CJEE CC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)c(Cl)c1 401397260 LQNMKWNFBRHQHF-OCCSQVGLSA-N 276.811 4.840 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1nccc2ccccc12 401445088 ICWQZRXZFVMFIC-CYBMUJFWSA-N 270.401 4.513 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@H]2C[C@H]2C1 403337768 SPSRPZMVYPLLRH-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(C)c1C 410377508 CEZYZAGSDWFKGP-UHFFFAOYSA-N 279.383 4.674 30 10 CJEE C=CC[C@H]1N(C(=O)Nc2ccc(C)s2)CCCC1(C)C 436111931 ZPCRQSHACHOPIH-CYBMUJFWSA-N 292.448 4.655 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC)C[C@@H](C)CC 505037595 CWYTYNNIGXQNDN-HNNXBMFYSA-N 288.435 4.705 30 10 CJEE C#CCCCCCNc1cc(Cl)cc(C(F)(F)F)c1 686680795 ABTUJAMWNXGNDY-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCCCC1(C)C 686695741 OZHYRSZIARDYRJ-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccsc1Cl 687853866 QGTQYHDCOATJFY-GFCCVEGCSA-N 260.830 4.665 30 10 CJEE c1cc(N=C2NC3(CCCCC3)CS2)cc(C2CC2)c1 690147949 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KGKPUORITNNWLJ-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE C=CC[C@@H]1CCCCN(c2ccc([C@@H](C)N)c(Cl)c2)C1 703687530 AFGKYXQTBBHUEZ-ZIAGYGMSSA-N 292.854 4.542 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](N)c1ccccc1F 708927691 XVSFFWITKKWADZ-YOEHRIQHSA-N 281.415 4.591 30 10 CJEE C[C@H]1C[C@@H](N(C)c2ccc(Cl)cc2C#N)CC(C)(C)C1 709181211 CBDFLVWNLOTMCE-SWLSCSKDSA-N 290.838 4.863 30 10 CJEE N#Cc1cc(NCC/C=C/c2ccccc2)ccc1Cl 709659644 PVFVMKGPUQAPBM-XBXARRHUSA-N 282.774 4.727 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(SCC)cc1 710585196 QQHBNDSKZREYRK-OAHLLOKOSA-N 283.868 4.982 30 10 CJEE Cc1cc(OCC(C)(C)C(C)C)c(C)c(C)c1C#N 713351215 UWZDGOOFRTWGDG-UHFFFAOYSA-N 259.393 4.545 30 10 CJEE C=CC[C@@H](C)C1(CNC2CC2)CCC(C(C)C)CC1 715717019 XPLWIPAIYWKWSL-KLHKWILBSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(SC)cc1 715795223 CCUMXOGHSKFUBH-BBRMVZONSA-N 263.450 4.661 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)ccc1OC 715828839 JRSPZBBHYMMWPL-MLGOLLRUSA-N 281.827 4.602 30 10 CJEE 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C=CCCCCc1csc([C@@H](C)NCCC)c1 2217224377 SVKWVHLIZMUXKW-CYBMUJFWSA-N 251.439 4.708 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)O)c(Cl)c1 2217529828 FKEVGSUDJSYZTD-GFCCVEGCSA-N 270.800 4.743 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218342749 DXDWZRVCQUVHHP-JJXSEGSLSA-N 269.860 4.714 30 10 CJEE CC[C@@](C=O)(CC1C[C@H]2CCC[C@H](C1)C2)C(C)C 2218375238 OUPKNZXHMKXFBS-ZOBUZTSGSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CCC2(CC2)C1 2220087167 UKHZSDQNKSXDOT-CVEARBPZSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCCN(C)C[C@@H](C)C(C)(F)F 2220095731 KQDYEBKOWAIZKL-CQSZACIVSA-N 261.400 4.736 30 10 CJEE C=CC1(C[C@@](C)(O)c2cc(Cl)cc(Cl)c2)CCC1 2221972145 IHNWFDIALMKSQJ-CQSZACIVSA-N 285.214 4.947 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1scnc1C 2222084821 FWZVQHZCGFMCQA-OCCSQVGLSA-N 268.470 4.851 30 10 CJEE O=C[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCC12CC2 2225363336 PFFJHTRVTRPREQ-RLFYNMQTSA-N 260.421 4.742 30 10 CJEE C=CCCCCCCCCOC[C@@H](CC)NCCC 2225676045 LEMGMMYZKLLPFI-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@H]1C1CCC1 2227275963 ZQLLQEKERUYBKG-BZSNNMDCSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCC1(N)CCC(C)(OC)CC1 2227286096 LXSDCFDXWPRVDX-UHFFFAOYSA-N 267.457 4.580 30 10 CJEE CC#CCCC[C@H](NCCC)C1(C)CC2(CCC2)C1 2228277234 VRTABSOKJTYFTH-INIZCTEOSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCOC[C@@H](CCC)NCC 2231017272 PPKDURVTCBRHJL-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCCCCCCOCCON 2231078088 FFBUWLMTJFEIJK-UHFFFAOYSA-N 273.461 4.594 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(F)cc1Cl 2231484297 RXKHHIBSFADUEU-STQMWFEESA-N 283.818 4.602 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1ccc(C2CCC2)cc1 2231683344 AJCBSANJCFOVRG-KBXCAEBGSA-N 257.421 4.817 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC[C@H]1CCOC1 2231901624 RRXSWWQVBVVRIZ-DLBZAZTESA-N 270.457 4.695 30 10 CJEE CC(F)(F)c1cc(C2(C#N)CCCCCCC2)ccn1 2234915813 NCOHGBBYDNSDBE-UHFFFAOYSA-N 278.346 4.699 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCc2cc(F)ccc21 2235524011 LQAAMFQHTOGVSW-GOSISDBHSA-N 275.411 4.843 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@@H]1CCCC12CCC2 2235525127 XZPHOCIJKCYPAA-DLBZAZTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@]1(N)CCCO[C@H]1C(C)(C)C 2235532196 HWKBNEQKVSSZDS-WMZOPIPTSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@@H](N)c1nccn1C(C)(C)C 2235533085 QUZPDAMQYXXNNQ-OAHLLOKOSA-N 277.456 4.555 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1(OCC)CCCC1 2235537494 CDMIZJMMUBPWQI-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCC[C@H](C[C@H]1CCCCO1)NCC 2235539992 SJNPXCYDYPHEHS-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C[C@H](CC(C)(C)C#N)OCc1ccccc1C(F)(F)F 2236060328 IJZMUQCDSVRYEE-LLVKDONJSA-N 285.309 4.550 30 10 CJEE CCSc1cccc(NC[C@H]2CC=C(C)CC2)c1C#N 2237308849 ZLFZUYZLSSUFCE-AWEZNQCLSA-N 286.444 4.829 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 2238163257 SIRYMWSNEKMJKS-NVXWUHKLSA-N 270.420 4.769 30 10 CJEE CCCCCCCCCCOc1ccnc([C@@H](C)O)c1 2239483798 SVGCRYJUNNATOU-OAHLLOKOSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC(F)(F)[C@H]1N 2239489658 KLEOQTRZUDSHDR-GJZGRUSLSA-N 291.426 4.659 30 10 CJEE CCCCCCCCCO[C@H](C)CNCc1cccs1 2239492961 OOPJOJKWVJNZDT-MRXNPFEDSA-N 297.508 4.993 30 10 CJEE CCCCCCCCCCCOc1csc(CNC)n1 2239493281 RHRUIUHSCHLLCH-UHFFFAOYSA-N 298.496 4.772 30 10 CJEE CCCCCCCCCCOCCC[C@](N)(C#N)CC 2239500911 FDAMYECMQZFUQD-KRWDZBQOSA-N 282.472 4.555 30 10 CJEE CCCCCCCCCCCCOCC[C@@](C)(N)C#N 2239509784 HXNPVWDDEMRMMW-QGZVFWFLSA-N 282.472 4.555 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](N)(C#Cc2cccc(Cl)c2)C1 2239579908 XATUIAONMPGQBV-YJBOKZPZSA-N 289.850 4.625 30 10 CJEE C=C[C@@](C)(CNC1CCC1)CC1C[C@H]2CCC[C@H](C1)C2 2240125005 YXYNACVVEFNZKG-TXPKVOOTSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H]1CCc2cccnc21 2240622934 ZNBSBMGAMZDSFA-SJLPKXTDSA-N 275.436 4.613 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C=C1CCCCC1 2240644666 LTSZTKMGCXSVJX-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE CCCCCCCCC[C@H](N)CCN(C)CCCCC 2240899413 RGRJJRPDJXILME-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CC1(C)CCC(C=O)(Cc2coc3ccccc23)CC1 2241175634 KXWYRNFUGYOPBD-UHFFFAOYSA-N 270.372 4.761 30 10 CJEE C=CCCN(CCCC[C@H]1C[C@@H]1C)Cc1ccccc1 2241388419 JCXXAMSNKCXCQT-HKUYNNGSSA-N 271.448 4.891 30 10 CJEE Fc1ccc(SCCCCCCCS)cc1 2245900803 JLQRFAOEOHHJNV-UHFFFAOYSA-N 258.427 4.798 30 10 CJEE C=CCCCSc1ccc([C@@H](C)NC)cc1Cl 2250060746 JBJXHAPBGGZFRW-LLVKDONJSA-N 269.841 4.679 30 10 CJEE C=CCCCSc1ccc(CN[C@H](C)CC)cc1 2259045969 QKVLUKFGNUOORV-CQSZACIVSA-N 263.450 4.633 30 10 CJEE C=C(C)CCCC[C@]1(N)C[C@H](C)Sc2sccc21 2259177103 UXYYZEZHEQBTQE-WFASDCNBSA-N 281.490 4.923 30 10 CJEE C=C(C)CCCC[C@]1(N)CCC[C@@H](C(F)(F)F)C1 2259188984 YLRPWWWQYCBFBM-OLZOCXBDSA-N 263.347 4.573 30 10 CJEE C=C(C)CCCCN(C)[C@H]1C[C@@H](C)CC(C)(C)C1 2259240209 XXAIJSKSIWVPRA-CVEARBPZSA-N 251.458 4.879 30 10 CJEE C=C(Cl)C[C@H](CCCCCCCCC)OCCN 2262401928 BBFSCPPJYIIFNN-HNNXBMFYSA-N 275.864 4.614 30 10 CJEE CCCCCCCCC[C@](C)(O)Cc1nccs1 2263659653 CCVYHHUTQXUYES-HNNXBMFYSA-N 269.454 4.577 30 10 CJEE CCCCCCC[C@H](O)c1ccc2ncsc2c1 2263902702 JJXDQSWBFSHOTA-AWEZNQCLSA-N 263.406 4.690 30 10 CJEE C=CCCCCCCC[C@@H](Cc1cnsc1)NCC 2265404300 XRKNTCNZNOAFCQ-INIZCTEOSA-N 280.481 4.580 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CC(F)(F)C12CCC2 2266197261 QVXIMMWJQXCWFP-ZDUSSCGKSA-N 268.347 4.662 30 10 CJEE COc1ccc(Nc2ccc(Cl)cc2C#N)c(Cl)c1 2268011919 UATASLXGUGBHAP-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE C=CCCCC[C@@H](NCC)c1cccc(OC)c1Cl 2268072620 OQNOTHVPAIUBFW-CQSZACIVSA-N 281.827 4.746 30 10 CJEE C=CCCC[C@@H](CC=CC#CC(C)(C)C)NCCC 2268814326 VYOUTMJTVYJYDU-KRWDZBQOSA-N 261.453 4.707 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1C[C@@]1(C)COC 2269291650 VJWWLIAYOYXEQV-RDJZCZTQSA-N 266.425 4.535 30 10 CJEE C=CCCCCCCCSCCNCc1ccco1 2271491153 YUNVLKHVBIGKMM-UHFFFAOYSA-N 281.465 4.629 30 10 CJEE C=C(C)CCCC[C@H]1CCCc2ccccc2[C@@H]1N 2271790927 JMPXTBWYGXWBSJ-FUHWJXTLSA-N 257.421 4.775 30 10 CJEE Cc1ccc(C(C)C)cc1OCC#CC1CCCC1 2274146420 PLIWSAXSFJCCCE-UHFFFAOYSA-N 256.389 4.691 30 10 CJEE C[C@](O)(CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274165795 BITDLABDYBYSJR-INIZCTEOSA-N 297.225 4.785 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)C=CCC1 2276653272 IKBWOJRTOHLGDG-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@]1(OCCN)C[C@H](C)CC[C@H]1C 2276760352 AUFZVVYKZLIWFS-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CCO1)NCCC 2278558798 ZZSRERVLFABMOW-DLBZAZTESA-N 269.473 4.674 30 10 CJEE Cc1ccc(C(C)C)c(O)c1CC=CC#CC(C)(C)C 2284075955 LRNYJDFFAMHHEI-UHFFFAOYSA-N 270.416 4.972 30 10 CJEE CCCc1ccc(C(=O)CC=CC#CC(C)(C)C)cc1 2284092490 MSZDFYPCVGLPQT-UHFFFAOYSA-N 268.400 4.818 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CC=CCC1 2284101401 RNELYWLETPRZGN-ROUUACIJSA-N 273.464 4.707 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@]1(C#N)CCCC(C)(C)C1=O 2284947668 TYYXLOKYNNCAFF-IIDMSEBBSA-N 275.436 4.882 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cncc(C(C)(F)F)c1 2287471676 DKXKYPLMDLQSAX-OAHLLOKOSA-N 282.378 4.590 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](CC2CC2)CS1 2287884062 IMUPOCKEAQAXMH-HOCLYGCPSA-N 296.524 4.700 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC2(CCCC2)CS1 2287980428 BWMAFWXBIICQRR-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2289776846 KMOUEAQIDAGGSR-FCGDIQPGSA-N 274.448 4.538 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@]1(C)CC=CCC1 2289882582 PVUUBRNPVDKRTK-RBUKOAKNSA-N 273.464 4.685 30 10 CJEE CC(C)[C@H]1SC(=NCC2CC(CC(C)(C)C)C2)N[C@H]1C 2290035674 ZHNIABDTVLQOOD-VXGQWTEUSA-N 296.524 4.554 30 10 CJEE CCCCCCC[C@](C)(C[C@]1(C)C[C@H]1C)OCC(=O)O 2291498977 PPEAZWPAWKWULZ-HYVNUMGLSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@](C)(CC(C)C)OCC(=O)O 2291804570 BDEXCKPMHWOJTN-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE CCCCCCCC[C@@H](CCC(F)(F)F)OCCCN 2292569879 BPLDOPJFVPWDMA-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE C=CCCCCCCC[C@H](OCC(=O)O)C1(C)CCC1 2292575855 DXJZQLKRVHYSLQ-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCC2(CCCCC2)C1 2292903612 RHOAUUJFVOQNBE-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=C1C[C@@H]1CC1(OCCCN)CCCCCCCCC1 2293126742 NTOMCDUOWYHNFP-QGZVFWFLSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1csc(C)n1 2293412588 DAZYBVQEUZEEIO-INIZCTEOSA-N 298.496 4.609 30 10 CJEE CC(C)COc1cccc(C=CC(=O)c2cccs2)c1 2295562506 JAJUFQFWWPHZAW-UHFFFAOYSA-N 286.396 4.679 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@H](C)[C@@H](C)CC 2295677776 DRCLAVCSCVZZKY-MLHJIOFPSA-N 285.516 4.888 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1C[C@@]2(C)CO[C@H]1C2 2295689707 TWIIMQVPQWSZDR-ZJPYXAASSA-N 281.484 4.673 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@@](C)(C#N)NC1CC1 2295712028 UAEHAQQTLMCHBV-WBVHZDCISA-N 296.524 4.750 30 10 CJEE CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 2297351332 BSXNVAAVZAPXTF-UHFFFAOYSA-N 289.737 4.678 30 10 CJEE N#Cc1csc(C=CC(=O)c2ccc3ccccc3c2)c1 2297779346 NSMMPRYIVJGGMT-UHFFFAOYSA-N 289.359 4.669 30 10 CJEE O=C(C=Cc1cncs1)c1ccc(-c2ccccc2)cc1 2301064149 DFDWFQOQTGHEDH-UHFFFAOYSA-N 291.375 4.706 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COCCCCCCS 2303403528 AISMLXNUINUPPH-KBPBESRZSA-N 258.471 4.566 30 10 CJEE N#Cc1ccc(C(=O)C=Cc2csc3ccccc23)s1 2304914637 AXHKHVVNDPICRH-UHFFFAOYSA-N 295.388 4.731 30 10 CJEE C=C(F)C[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2306222100 PWWWCMTTZQSUIS-LBPRGKRZSA-N 280.145 4.656 30 10 CJEE C=CC[C@H](C)SCc1ccc([C@@H](C)NCC)cc1 2313645719 SDADRMUDFXHQNR-UONOGXRCSA-N 263.450 4.555 30 10 CJEE C=CCCCCCCCCCN[C@@H]1[C@@H](C)C[C@H]1C 2316949795 ZQKVGEZUQBZAQV-FVQHAEBGSA-N 251.458 4.927 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2317065914 YOFYNEBITBFGJN-FZMZJTMJSA-N 284.230 4.919 30 10 CJEE C=C[C@H]1CCCN1CCCc1cc(Cl)cc(Cl)c1 2318609246 FBKRGZDFXRIYTA-HNNXBMFYSA-N 284.230 4.576 30 10 CJEE C=C(C)C[C@@H](CC1CCC(CCC)CC1)NCC 2319293318 ONPRZWVETFWLKO-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@@H]1[C@@H](C)C[C@H]1C 2321096327 QRFAYNRJNRKZPX-BIVLZKPYSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(C2CC2)s1 2321116163 ILKQSBAYOOMWRA-HOTGVXAUSA-N 263.450 4.878 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1ccc(Cl)cc1C 2321166489 FZGOXLZHTAPEKW-MRXNPFEDSA-N 264.796 4.752 30 10 CJEE C=CCC(C)(C)[C@H](O)CC[C@@H]1CCCCC12CC2 2321228429 MGKLBEJUMGGHNW-LSDHHAIUSA-N 250.426 4.700 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C(CC1CC1)CC1CC1 2321235150 WCJTWUHBYSSOOI-SJORKVTESA-N 250.426 4.556 30 10 CJEE CSc1cc(SC[C@@H]2CC[C@H](C)C2)ccc1C#N 2328530813 WLLSHSUDCTTXOL-NWDGAFQWSA-N 277.458 4.808 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@]2(C)C1 2337106926 NJUFPAFZHCKJHO-MDMSPXHWSA-N 261.453 4.680 30 10 CJEE CCCN[C@H](C#CC1CCC1)CC1CCCCCC1 2337426751 HLVQSAGPUAFFMO-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338685642 CKZLSRDTRSHHBD-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1COCC1(C)C 2339072229 CMHDJMOEYWAJMS-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=CC1(CNCc2ccc(F)c(C)c2Cl)CCCC1 2339215647 OYIZRLABUBMBLG-UHFFFAOYSA-N 281.802 4.624 30 10 CJEE CC[C@@](O)(C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339619258 VANDJGGUEORDLM-BLLLJJGKSA-N 297.225 4.641 30 10 CJEE CC#CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341110871 POGCUJPZWUGDTO-INIZCTEOSA-N 298.257 4.708 30 10 CJEE C=CCSc1ccccc1NCCCCCCOC 2341375577 PFIVMXJXQDLXBI-UHFFFAOYSA-N 279.449 4.583 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)cc(C(F)F)c1 2341922723 LJJVKRBIAGRELJ-CQSZACIVSA-N 271.326 4.770 30 10 CJEE C#Cc1c(F)cc(NCc2cc(Cl)sc2C)cc1F 2344185400 WFAIZYMXSUVBHM-UHFFFAOYSA-N 297.757 4.582 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(C)cc1Cl)NCCC 2344345309 MOXAARVYKYBRPP-RHSMWYFYSA-N 279.855 4.771 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@@H]1C[C@H]1C1CCCCCC1 2344348868 OGCOIRHZZLYEEJ-YESZJQIVSA-N 263.469 4.913 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)cc(OC)c1 2344378923 WDOMMWNWQBOGHL-BLLLJJGKSA-N 281.827 4.602 30 10 CJEE CC(C)(C)[C@@H]1CCCN(C[C@](C)(CS)C(C)(C)C)C1 2352089723 ZMOMTFAGBUPDHW-RHSMWYFYSA-N 285.541 4.727 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1c(F)cccc1F 2360207803 KOBKUHVWHXMDBJ-WFASDCNBSA-N 299.430 4.703 30 10 CJEE C=CCC(CC=C)S[C@H](C)C(=O)c1ccc(OC)cc1 2360376136 DLENSGVQHPWWRS-CYBMUJFWSA-N 290.428 4.520 30 10 CJEE CCOc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 33410623 BHSGVFFDBSTANJ-XGICHPGQSA-N 286.758 4.635 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@@H]2C#N)C1 36169564 HFDCRZPFUAYLKU-BRSBDYLESA-N 290.495 4.853 30 10 CJEE CC(C)(C)CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 37346213 RBABWLAHNVCWJV-NSHDSACASA-N 284.186 4.606 30 10 CJEE COc1ccc(-c2ccc([C@@H](C#N)C(C)C)cc2)cc1 41381946 VVRKNOVMLBISAF-SFHVURJKSA-N 265.356 4.625 30 10 CJEE N#CCc1cccc(C(F)(F)F)c1-c1ccccc1F 47205198 GYKJIRFHPITPQG-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1cc(C)c(OCC[C@H](C#N)c2ccccc2)cc1C 57684641 YNUGCWSZKGDSCJ-GOSISDBHSA-N 279.383 4.688 30 10 CJEE Cc1ccccc1OCCCC[C@@H](C#N)c1ccccc1F 57686432 INOOVEMBHZJZGF-INIZCTEOSA-N 297.373 4.991 30 10 CJEE CCc1ccc(OCCC[C@](C)(C#N)c2ccccc2)cc1 57687460 NPCSAQNFGGYDME-HXUWFJFHSA-N 293.410 4.889 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)Cc1ccc(Cl)cc1 57723868 ATSJLGJPEICECE-CQSZACIVSA-N 285.774 4.507 30 10 CJEE C[C@@H]1CCC/C(=C/Sc2ccc(Cl)cc2)C1=O 62723639 LPOFHJNXHKBVRX-QLWWJYNRSA-N 266.793 4.705 30 10 CJEE Cc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1 64438672 NTEZRKKOKCIWHG-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCC1CC(C#N)(c2ccc(Cl)c(Cl)c2)C1 86545511 CULZZZDSZPIDIO-UHFFFAOYSA-N 268.187 4.965 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)CC1 86949126 ZBEZSIWWQZOGDV-YOEHRIQHSA-N 274.383 4.880 30 10 CJEE C[C@H](CCS)CCOc1cccc(Cl)c1Cl 87080213 YOZUQUQVIOUAKA-VIFPVBQESA-N 279.232 4.718 30 10 CJEE CCc1ccc(C[C@@]2(C#N)CCCc3ccccc32)cc1 87930115 HKIKSPGLRPXORK-HXUWFJFHSA-N 275.395 4.589 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87973458 MHSPVHQOXBKTIX-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE Cc1ccc2c(c1)C[C@@H](CC1(C#N)CCC(C)(C)CC1)O2 90902686 QILHZCLASVNHCV-INIZCTEOSA-N 283.415 4.799 30 10 CJEE N#CC1([C@@]2(O)CCCC[C@@H]2C2CCCCC2)CCCC1 91876057 ORZRLBCLSAMGOH-SJLPKXTDSA-N 275.436 4.572 30 10 CJEE Cc1cc(Cl)cc(C)c1OCCCCCCS 94583466 JOOGKFYQIFBOJB-UHFFFAOYSA-N 272.841 4.826 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc2ccccc2n1 97208771 KUAGATJCDNGKRE-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCNC[C@@H](CC)Oc1cccc(C)c1 100027273 CDOZCZLPCOUPGV-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCc1ccc([C@@H](C)Nc2c(F)cc(C#N)cc2F)cc1 111141970 ZIKKTLFBYBVKCI-LLVKDONJSA-N 286.325 4.572 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@]1(C)CC 114348978 WXCPQNOLKCOYBJ-SFHVURJKSA-N 282.516 4.590 30 10 CJEE CCCCCCCCc1n[nH]c(N)c1-c1ccccc1 115858211 JOBYCOQELMHMAG-UHFFFAOYSA-N 271.408 4.562 30 10 CJEE CCCCCCCCCCNCc1cccn1CC 124774124 NESDMNGNWZLHEJ-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE CCCc1ccccc1Nc1c(F)cc(C#N)cc1F 127435126 DVGPDXGQFOMBLE-UHFFFAOYSA-N 272.298 4.533 30 10 CJEE CCCCCCCCCCNC(=O)c1ccc(NC)cc1 129466462 KGDLJYWSPWEKCR-UHFFFAOYSA-N 290.451 4.599 30 10 CJEE CCCCCCC[C@@H](NN)c1c(Cl)cccc1Cl 130052745 HCVLFWFABDMDEI-CYBMUJFWSA-N 289.250 4.858 30 10 CJEE CCCc1ccccc1Nc1ccc(C#N)c(C)c1 133417588 OXMYKSDHHKREQR-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CCCCCCCC[C@@H](O)c1c[nH]nc1-c1ccccc1 134656579 CRTCJAQZXQOMIQ-QGZVFWFLSA-N 286.419 4.861 30 10 CJEE CCSc1cccc(Nc2ccc(C)cc2)c1C#N 136614736 AJLXYQZAEQQWQW-UHFFFAOYSA-N 268.385 4.722 30 10 CJEE C=CCC[C@H](CCC)N[C@@H]1CCO[C@H](c2ccccc2)C1 155237828 JXDLURWKBLXCEV-OTWHNJEPSA-N 287.447 4.631 30 10 CJEE C=C(C)C[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)(C)C 156321005 HPOYFOSVWHWMQX-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](N)c1cc2c(s1)CCCC2 158004435 QJLORVZHWLVMIB-AWEZNQCLSA-N 265.466 4.987 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CSc2ccccc21 158908884 WSMLSTDDZFZUDV-KSSFIOAISA-N 289.488 4.846 30 10 CJEE SCC1(CN2CC[C@H]3CCCC[C@@H]32)CCCCCC1 163545246 NXRKLBBWSLYAKN-CVEARBPZSA-N 281.509 4.521 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(C)c1Cl 167814433 WFSXRULPDXNDRY-CQSZACIVSA-N 251.801 4.655 30 10 CJEE CCC1(CC)CC(C#N)(c2cccc(Cl)c2F)C1 213730405 LRZPFZZRNQUBPK-UHFFFAOYSA-N 265.759 4.841 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 222263195 YHGCTOARCBVSCI-RFQIPJPRSA-N 253.455 4.873 30 10 CJEE CC[C@H](C)CN(CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 223322214 URYWTVVJSRDEMN-VVLHAWIVSA-N 278.484 4.709 30 10 CJEE CCCCCCC[C@@H](N)c1cc(Cl)ccc1OC 228478965 BVJKOKLFJROSLR-CQSZACIVSA-N 269.816 4.709 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H](CN)C(C)C 230955857 GLMVMWGDRMRSBH-MSOLQXFVSA-N 285.516 4.889 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1CNC(C)C 232673439 WUSFTHFJCXIFGS-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](O)C(CC)CC 232916569 JRVPODGOLUDRIG-KRWDZBQOSA-N 270.457 4.883 30 10 CJEE CCCCCCCCCC[C@](C)(O)c1cncc(F)c1 232927237 RQKCZXIGAFVVOQ-KRWDZBQOSA-N 281.415 4.959 30 10 CJEE CCCCCCCCCCn1cnc(CNCCC)c1 232934810 LBHXSABOBPJTFD-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(OCC)cc1 233545385 BTQRHKSDMAZCRD-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCSc1cccc(SC[C@H](C)CC)c1C#N 233817246 LRXWAZRUWSPJFG-LLVKDONJSA-N 265.447 4.808 30 10 CJEE O=C(C1=CCCCCCC1)c1c(F)cc(F)cc1F 236237673 OENCOOCKLGBAJX-UHFFFAOYSA-N 268.278 4.567 30 10 CJEE CCCCCCCCCC(=NO)c1ccc(OC)cc1O 254738620 FNIAZZWZJGPTEW-UHFFFAOYSA-N 293.407 4.720 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC1(C)C 276475772 QPSOOYBCIPJOKX-HNNXBMFYSA-N 271.404 4.523 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](CC#CC(C)(C)C)NCC 308062598 VUWYQSWOGHBGMC-IRXDYDNUSA-N 265.485 4.867 30 10 CJEE CCCCCSCc1ccc(Br)cc1C#N 309183627 GGYMCAKRZXFRJB-UHFFFAOYSA-N 298.249 4.744 30 10 CJEE C[C@H]1C[C@H](n2ccc3cc(C#N)ccc32)CC[C@H]1C 311268033 PTOPIUXFBMADCX-DVOMOZLQSA-N 252.361 4.510 30 10 CJEE C=CCCCCCCNCc1ccc(C(F)(F)F)cc1 312239797 BKBOTUWWBXZFNH-UHFFFAOYSA-N 285.353 4.932 30 10 CJEE CCc1ccc(CC2(C=O)CCC(CC)CC2)s1 317290232 VHBDVHVDLNBARY-UHFFFAOYSA-N 264.434 4.639 30 10 CJEE CCCCCCCC[C@H](NC)C(C1CC1)C1CC1 380712637 FKRFPMGGDVHTOM-INIZCTEOSA-N 251.458 4.761 30 10 CJEE CC(C)(C)C#CC[C@@H]1CC(C)(C)CC[C@H]1CNC1CC1 383463360 OKXMHPOUFNLNNG-CVEARBPZSA-N 275.480 4.621 30 10 CJEE Cc1cccc(C)c1C#Cc1ccc(Br)s1 383506733 CWEPJLULDCPZED-UHFFFAOYSA-N 291.213 4.527 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)Cc2sccc2C)C1 383591169 SIHIUKCNMCSSDI-OAGGEKHMSA-N 290.476 4.597 30 10 CJEE CC(C)(C)c1ccc([C@@]2(C)CC[C@](C)(CC#N)O2)cc1 383779037 SWBFSMJVVTYSTG-QZTJIDSGSA-N 271.404 4.682 30 10 CJEE C=C([C@H](NCCC)c1ccc(Cl)cc1C)C(F)(F)F 388245574 FZHRSMNROVVEOU-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CCCCCCCCCCN[C@H](CO)CC(C)(C)C 393520073 OHJQMAQOROFCRL-INIZCTEOSA-N 271.489 4.514 30 10 CJEE CCc1ccccc1N=C1N[C@@H](C2CCCCC2)CS1 395399535 CSBCNPVMMYVNGA-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE N#CCc1ccc(Cl)c2c(C(F)F)csc12 396186481 GIGOUXZGWPNOBF-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1ccc(SC[C@H](C#N)C2CCCC2)c(C)c1 397383009 VRLMDCDRCKJVGR-HNNXBMFYSA-N 259.418 4.726 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(CC)cc1 410343741 HXUJSFLPEFPQFL-UHFFFAOYSA-N 279.383 4.620 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 421512930 XBIFEGZRLIBNBE-ZACQAIPSSA-N 297.442 4.913 30 10 CJEE C=CCCC(=O)Nc1c(C)cc(Cl)c2ccccc12 462200681 QYSQIQCHCGNOPO-UHFFFAOYSA-N 273.763 4.706 30 10 CJEE C=CCC[C@@](C)(O)CC1(c2ccccc2)CCCC1 686665149 XSUDZZYWFQEHIF-QGZVFWFLSA-N 258.405 4.606 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2cc(F)ccc2s1 686691567 MPXXBRHODIHZBS-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCC[C@@H]2CCOC2)C1 688341176 GBEDYXPRBJZTNJ-OAHLLOKOSA-N 277.452 4.939 30 10 CJEE CCc1ccc(NCc2ccc(F)c(C#N)c2)cc1Cl 691250690 JYLKOBSHYHNJMA-UHFFFAOYSA-N 288.753 4.525 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1snc2ccccc12 692226438 FCKPGYKYUHMUAS-JSGCOSHPSA-N 272.417 4.843 30 10 CJEE C[C@H](CCC#N)Oc1ccc(Cl)c2ccccc12 695842222 KZMMDABFHGNDJM-LLVKDONJSA-N 259.736 4.564 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCSC1)NC 708762171 GBCCUGRZYXNGFL-HOTGVXAUSA-N 271.514 4.858 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(Cl)cc1Cl 710619821 IZIWOSVUDVOARV-LBPRGKRZSA-N 278.610 4.787 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCCC[C@H]1C 710622918 ROQIPEOQTQSSIC-HIFRSBDPSA-N 257.849 4.571 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2CC(C)(C)OC2(C)C)C1 711332412 BSZMAXYOJOKYHP-VKJFTORMSA-N 280.452 4.756 30 10 CJEE CCCCCCCCCC[C@@H](NN)C1CC(C2CC2)C1 714392011 LKHZGTREUFTXFF-DAWZGUTISA-N 280.500 4.785 30 10 CJEE C=CC[C@H](C)Oc1ccc(Cl)cc1[C@@H](C)NCCC 715002626 TYDKZZFSELDUEG-QWHCGFSZSA-N 281.827 4.744 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C(CC)(CC)C(F)(F)F 715719369 JILJOBBQOGCOAL-OLZOCXBDSA-N 279.390 4.936 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1csc(C(F)(F)F)c1 718685574 DEGKPXXALYJVDB-JOYOIKCWSA-N 277.355 4.630 30 10 CJEE CCCCCCCO[C@H]1CCCCC(C)(C)[C@H]1NCC 719237998 HMLHXIXAZHPUDE-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE C=C1CCC(C[C@@H](Cc2cccc(Cl)c2)C(=O)O)CC1 724576675 ISRRTSNLBKMABY-HNNXBMFYSA-N 292.806 4.720 30 10 CJEE CC[C@H](/N=C1/N[C@H](C2CCCCC2)CCS1)C1CCC1 725079486 BTEWEYDZEYHFKE-HOTGVXAUSA-N 294.508 4.597 30 10 CJEE C=C(C)CCON=C(C)c1csc(-c2ccccc2)n1 795228279 FQPUQSHSMLMVEI-UHFFFAOYSA-N 286.400 4.517 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C/C(=C\C)CC 800591197 GAGSGZQRNALZGM-HXIOTLLMSA-N 269.388 4.656 30 10 CJEE C=CCCCC(=O)Oc1ccc2oc3ccccc3c2c1 1124279164 BECRNVOZQBJPKF-UHFFFAOYSA-N 280.323 4.848 30 10 CJEE C=CCC[C@@H](C(=O)Nc1cccc(CC)c1)c1ccccc1 1124599779 BVTILPVJRXPHEW-LJQANCHMSA-N 293.410 4.938 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 1125588553 DLUOCYHUVFJRIB-FQEVSTJZSA-N 299.458 4.809 30 10 CJEE C=CC1(CC(=O)NCC(C)(C)C2=CCCC2)CCCCC1 1129623083 JQTLKSLVOMWSQD-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=CC(C)(C)CC(=O)N1CCCC[C@H]1CCCCC 1131516109 JCJYDKUTGFSYQX-OAHLLOKOSA-N 265.441 4.550 30 10 CJEE C=C(CC(C)C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 1137199718 YWQSBHZFQAVQIZ-MJGOQNOKSA-N 299.458 4.631 30 10 CJEE C=CCS[C@H](c1ccccc1)c1ccc(F)cc1 1166056229 HGATVOWBDCJHCO-MRXNPFEDSA-N 258.361 4.834 30 10 CJEE CC#CCN(CCCCCCCC)Cc1ccccc1 1168458162 JJPIWMKQPNRVNO-UHFFFAOYSA-N 271.448 4.872 30 10 CJEE C=CCCCCN1CCC2(CCc3ccccc3C2)CC1 1171719147 OBBBBTIEJWLHQQ-UHFFFAOYSA-N 283.459 4.614 30 10 CJEE C=CC[C@H](C)NCc1ccc(OCc2ccc(C)cc2)cc1 1177869587 CWQRTXLCMIIMJF-KRWDZBQOSA-N 295.426 4.628 30 10 CJEE C=CCC[C@@H](CCC)Nc1cccc(O[C@H](C)CC)n1 1183445333 RDYPIFNAMVKGRC-HUUCEWRRSA-N 276.424 4.806 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC/C(C)=C\c1ccccc1 1202797848 RDGLXROHPQUMLI-TXOBRMIJSA-N 291.438 4.867 30 10 CJEE CC[C@@H](NCc1ccc(C#N)c(C)c1)c1cc(C)ccc1C 1203383953 FVIUPUNSEQJQJL-HXUWFJFHSA-N 292.426 4.724 30 10 CJEE C=C[C@@](C)(CC)C(=O)Oc1ccc(C(C)(C)C)cc1C 1264104035 IJMFWYIAGLWWBL-SFHVURJKSA-N 274.404 4.800 30 10 CJEE C#CCN(Cc1ccccc1)[C@@H](C)c1cccc(Cl)c1 1307754732 ZPDODNJWQHRVOL-HNNXBMFYSA-N 283.802 4.536 30 10 CJEE C=CCCCCC[C@@H](C)NCC1(C#N)CCCCC1 1308867463 RSLGUMRZXGUIQH-MRXNPFEDSA-N 262.441 4.575 30 10 CJEE CC1(CC(=O)Nc2ccc(Cl)c(C#N)c2)CCCCC1 1349221235 IESNGWIREDGGRE-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccccc1[C@H](C)CC 1350522811 RDZMXTNLPSVDIU-CYBMUJFWSA-N 260.377 4.708 30 10 CJEE C=C1CCC(C(=O)O[C@@H](C)c2ccc(Cl)s2)CC1 1357698324 SYSLEZIIDSNQAG-JTQLQIEISA-N 284.808 4.752 30 10 CJEE C=CCCC[C@@H](C(=O)NCC(C)(C)CC=C)c1ccccc1 1436484643 MOBBISQWHOWDSR-GOSISDBHSA-N 299.458 4.845 30 10 CJEE C=CCCCCCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 1456671852 WHXNWJFROMUCFV-GOSISDBHSA-N 277.452 4.718 30 10 CJEE C=C(CC)CSc1nc(-c2ccccc2)cs1 1458824547 NUXQXFSNEPWSMI-UHFFFAOYSA-N 261.415 4.868 30 10 CJEE C=CCCCN[C@H](C)Cc1ccc(-c2ccccc2)cc1 1462177960 JUKCGQCHEXHQEZ-QGZVFWFLSA-N 279.427 4.840 30 10 CJEE C=CC1(CC(=O)N2CC3(CCC3)[C@@H]2C(C)C)CCCCC1 1468516940 ZLYWGFBYTYMWDV-KRWDZBQOSA-N 289.463 4.550 30 10 CJEE CCCCCCCCCN1CCC(OC2CCC2)CC1 1473562802 SFJPLQXFJQJBEQ-UHFFFAOYSA-N 281.484 4.771 30 10 CJEE C=CCC1(CN[C@@H](C)Cc2ccc(Cl)cc2)CCCC1 1474521575 MTSDOLUADIENGP-HNNXBMFYSA-N 291.866 4.997 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)CCCCC)CCCCC1 1526049312 OCHUWSVOMLDTKQ-INIZCTEOSA-N 279.468 4.988 30 10 CJEE CCCCCCCCC(=O)Nc1nnc(C(C)(C)C)s1 1527829536 PDVHECOPGKUCLG-UHFFFAOYSA-N 297.468 4.525 30 10 CJEE C#Cc1ccc(NC(=O)C[C@H](CC)C(C)(C)C)c(Cl)c1 1539130932 BMEZFZXOLVVLPX-ZDUSSCGKSA-N 291.822 4.722 30 10 CJEE C/C(=C\Cl)CSCCCCC1(C#N)CCC1 1559403640 WZJPWFAECANHKW-FMIVXFBMSA-N 257.830 4.726 30 10 CJEE C=CCCCN(CC)[C@H](CC)c1ccc(F)cc1F 1560204669 UOMNYFGDEHWCDF-MRXNPFEDSA-N 267.363 4.704 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(CN(CC)CC)cc2)C1 1560761219 CIUWSNSHOCUWOD-VQIMIIECSA-N 286.463 4.685 30 10 CJEE C=CCCCN(CC)C(=O)NCC(C)(C)C1CCCCC1 1564385343 UGFXEOOTKJAKDJ-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE C=C1CCC(C(=O)N(CCCC)[C@H]2CCC[C@H](C)C2)CC1 1583889592 GFJFAYDEJVPEFE-WMZOPIPTSA-N 291.479 4.940 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C/C(C)(C)C)c1ccccc1 1589390288 HWNJDNFZTPONGY-IAOULYHDSA-N 285.431 4.803 30 10 CJEE C=CCCCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 1621303632 GLBKFZSBICKEQK-GDBMZVCRSA-N 263.812 4.532 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccccc1CC 1622791468 DDSFCHUMIOLJKI-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=CCN(CCC1=CCCCC1)CCc1ccccc1 1641656351 GQFCYWUJCZEWOU-UHFFFAOYSA-N 269.432 4.608 30 10 CJEE C=CCCCCN[C@@H](C)C1(c2ccccc2)CCCC1 1642751513 RXVCZOUGQSODOA-KRWDZBQOSA-N 271.448 4.833 30 10 CJEE C=CCCCCCN[C@H](C(F)F)C1CCCCC1 1643890174 XANCGFFHONVTNL-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=CCCCCN1CCC[C@@H](Cc2ccc(C)cc2)C1 1644469033 OVZDIZVTNUHVSR-IBGZPJMESA-N 271.448 4.606 30 10 CJEE C#Cc1cccc(CN[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 1652667067 DYTDLGYMVACSIA-HUUCEWRRSA-N 297.829 4.603 30 10 CJEE C#CCOc1ccc(CNc2ccc(C(C)(C)C)cc2)cc1 1656110205 BCDODLCCSMLSIN-UHFFFAOYSA-N 293.410 4.608 30 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2270257923 UNLWPRSGUPXBBM-UHFFFAOYSA-N 258.409 4.726 30 10 CJEE C=C(C)CCCC[C@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC 2271790274 DUKZZHMWNIZSLY-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C[C@H]1CC[C@H](COC[C@H](CS)c2ccccc2)CC1 2271943495 ORJYYQZPXWTSJB-BFYDXBDKSA-N 278.461 4.543 30 10 CJEE C[C@](C#N)(C[C@@]12CCCC[C@@H]1CC2)c1ccccc1 2273468566 ULLWLDNAKNNEDC-KURKYZTESA-N 253.389 4.828 30 10 CJEE CCCCCCCCCC[C@@H](OCC(=O)O)C(C)C 2274758497 LOEAPARRKNPBBK-OAHLLOKOSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](CCCCC1CC1)OCCN 2276028478 AFMWIGNNNOWEGC-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@H](C)CCC(C)C 2276277829 IPFUJXPKHKRTPM-IAGOWNOFSA-N 271.489 4.763 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CCC[C@@H]1C 2276604720 GISMPODLYCCGJU-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=CCCCC[C@](O)(c1ccccc1)C1CCCC1 2278267682 LTMUJSBTVLLWOF-SFHVURJKSA-N 258.405 4.811 30 10 CJEE CCCCCCSC[C@@](C#N)(NCCC)C(C)(C)C 2278325162 ZVHVQMXHEKNOBE-MRXNPFEDSA-N 284.513 4.608 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc2scnc2c1 2278679291 HQNFEIQSQPNESV-WBMJQRKESA-N 274.433 4.549 30 10 CJEE CN(CC[C@@H]1CCCCC12CC2)C[C@H](CS)CC1CC1 2279563236 WVEHBRSNXSWPLC-SJORKVTESA-N 295.536 4.625 30 10 CJEE SCCCCCCCCCN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 2279674285 MBUMAVKEDXVKIW-FZDBZEDMSA-N 295.536 4.625 30 10 CJEE CCCCc1ccc(Oc2c(F)cccc2C#N)cc1 2280424632 UZAJXAKQJNCROC-UHFFFAOYSA-N 269.319 4.832 30 10 CJEE CCCCCCC[C@H](N)Cc1ccccc1OC(F)F 2282954887 ASBGXDVZEWVCAM-AWEZNQCLSA-N 285.378 4.518 30 10 CJEE C=CCCCCCCCC(=O)c1cc(F)c(N)cc1F 2283406251 LGHCACQPOMHRMM-UHFFFAOYSA-N 281.346 4.646 30 10 CJEE CCN[C@H]1[C@@H](CC=CC#CC(C)(C)C)CCCC1(C)C 2284074098 YBLHOVSLMNCKAZ-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE CC(F)(F)c1ccnc(Oc2cc(Cl)cc(C#N)c2)c1 2284115444 JNUJOSPHXIHUBE-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C1CC2(CCCC2)C1 2284179336 YFAKAMXPSLCIDH-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cnc(OC)c(Cl)c1 2287249829 GXEUKIHNOHQOFJ-OAHLLOKOSA-N 296.842 4.660 30 10 CJEE CO[C@@H](CS[C@@H](CC#N)c1ccccc1)CC(C)(C)C 2287303859 YKKIXAPNQPCGNY-CVEARBPZSA-N 291.460 4.826 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCC[C@H](C(C)(C)C)C1 2287369438 IHJLHUGNPUSEQO-YJBOKZPZSA-N 280.452 4.659 30 10 CJEE C=C(C)CCCCOc1ccc([C@@H](C)NCC)cc1C 2287469128 CJTXXJHCJVLWPG-MRXNPFEDSA-N 275.436 4.791 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)C[C@H]1CC[C@H](CC)CC1 2287670292 PAEHJGANXODZAX-BZSNNMDCSA-N 281.484 4.530 30 10 CJEE C#Cc1cccc(CNCC[C@H](C)CCCC(C)C)c1 2287916071 MXVUKJNOQUVEME-QGZVFWFLSA-N 271.448 4.610 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(CC2CCC2)CC1 2289702818 FCICUOJMWLICSU-SFHVURJKSA-N 273.464 4.519 30 10 CJEE C[C@@H]1CCC[C@@](CC#CC2CCCC2)(CNC2CC2)C1 2289924682 NBEWWAIAOSRYIA-APWZRJJASA-N 273.464 4.519 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1CC(CC(C)(C)C)C1 2289974981 GMWICJPRLKFOPU-OFLPRAFFSA-N 277.496 4.867 30 10 CJEE C[C@H](CCS)CCN(C)Cc1cccc(C(C)(C)C)c1 2290192089 IIAIIIQBZQQPEL-HNNXBMFYSA-N 293.520 4.762 30 10 CJEE C=CCCCCC[C@](CC)(CCCCC)OCC(=O)O 2291423249 CXOIMIXXNOKFLA-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@](CCC)(OCCN)C(F)(F)F 2292785821 AHUPGGAQZDWPEH-AWEZNQCLSA-N 295.389 4.590 30 10 CJEE C=CCC[C@@](C)(C[C@H]1CC[C@H](CCC)CC1)OCCN 2292845628 HBCFZYMRTQAPSC-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CC#CCCC[C@](C)(CCCCCCC)OCCCN 2292862348 KNVVEYFWKGWXTR-GOSISDBHSA-N 281.484 4.665 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)C=CCC[C@H]1C 2293599398 ITJKWVSINPNNQQ-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1C[C@@H]1C)OCCCN 2293609875 HALUYRLOTSUFCJ-OKZBNKHCSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@](CC)(OCCN)C(F)F 2293731204 LNDVUXNIWAWEKC-INIZCTEOSA-N 293.442 4.906 30 10 CJEE C=CCCCCCCCCC[C@H](OCCCN)C1CC1 2293749277 XPYJOWPCEOEJPJ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1cc(C)sc1C 2294049083 XDJRQHAMWYQFHX-QGZVFWFLSA-N 295.492 4.908 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)C1CCC(CC)CC1 2294246540 QWZDHHQWXJRVMF-FCCDEINASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H]1CCC[C@H]1C 2294248076 FDGOENBZFVWTSY-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CCC[C@@H]1CCC[C@](O)(C#Cc2ccccc2Cl)CC1 2295237694 RGPQTTIFDBWYPX-CRAIPNDOSA-N 290.834 4.803 30 10 CJEE CCCCCCCCC[C@](C)(OC[C@H]1C[C@H]1C)C(=O)O 2295595963 GCKBGRRVSVMDFF-INMHGKMJSA-N 284.440 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](O)CC(C)(C)C 2295676056 HSZRNVFTDXLKLF-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(CO)CCCC1 2295680118 WICSDPKJNGNZDG-KRWDZBQOSA-N 283.500 4.658 30 10 CJEE C=CC[C@H](NCCC)[C@@](C)(O)CCCCCCCCC 2295681662 IYAGCVHYSMTYDJ-ROUUACIJSA-N 283.500 4.822 30 10 CJEE CCOc1cc(C)c(C(=O)C=Cc2cccs2)cc1C 2295968009 TVBTUXUDKAGIEI-UHFFFAOYSA-N 286.396 4.660 30 10 CJEE C=CC[C@H](C)S[C@H](c1ccc(C)s1)[C@@H](N)CC 2298894821 AZSNCZFFTLPASO-JKOKRWQUSA-N 269.479 4.533 30 10 CJEE C=CCSc1ccccc1N[C@H]1CC[C@@]2(C)C[C@@H]12 2310549811 KDCNIIDNOBDSBY-XEZPLFJOSA-N 259.418 4.565 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1C[C@@H]2CC[C@H]1C2 2312894965 AQLZXPIVVQPDPD-TWMKSMIVSA-N 250.426 4.700 30 10 CJEE C=CCCCCC[S@@](=N)(=O)CC1CCC(C)CC1 2313807131 NNZFVGSIYGUHKB-JTTJXQCZSA-N 271.470 4.606 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)c1ccccc1Cl 2317025708 JRIUWDLXTDWCQG-UHFFFAOYSA-N 277.154 4.633 30 10 CJEE CCCCCCCCCN[C@@H]1CCCC[C@H]2C[C@H]21 2319440036 WLOHCCUIFAQFBE-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE C=CCC(C)(C)[C@@H](N)c1cc(C)c2sccc2c1 2321096788 VGYFELYIETZRFC-HNNXBMFYSA-N 259.418 4.812 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCC(F)F)NCC 2321132299 XVGLHUWLGXBWMN-DZGCQCFKSA-N 261.400 4.782 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 2332409975 LBLOQEONFWUWMG-IECFSIQFSA-N 263.469 4.713 30 10 CJEE C=CCC(CC=C)NC1CC(c2ccc(Cl)cc2)C1 2335095041 WXHAOCZVKQTBAV-UHFFFAOYSA-N 275.823 4.696 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@H]2CCCCC[C@H]2C[C@H]1NCC 2335194756 RNXIJRPFNRAZCA-VIQHNZTISA-N 281.509 4.631 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1ccc(F)cc1 2337067259 IPHWQOSYNXEXSN-IAOVAPTHSA-N 261.384 4.611 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1csc(C(C)C)n1 2338726500 BJEWLIJNANDJRC-OAHLLOKOSA-N 278.465 4.686 30 10 CJEE 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4.533 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CC)Nc1ccc(Cl)cc1 37935972 JIRAUHIAFVXWHB-SWLSCSKDSA-N 264.800 4.860 30 10 CJEE N#C[C@@H](c1ccc(Cl)cc1Cl)C1CCCC1 41324126 VTNBBRYYRVYQFS-GFCCVEGCSA-N 254.160 4.791 30 10 CJEE COc1ccc([C@@H](C#N)C2CCCC2)cc1C(C)C 41328434 CJIBRRNAVWQYCN-INIZCTEOSA-N 257.377 4.616 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)Cc2cccs2)C1 48970460 YJWAVULFTNCQPT-HLLBOEOZSA-N 290.476 4.679 30 10 CJEE N#Cc1cc2cc(-c3ccccc3)cc(Cl)c2o1 52068823 JGNUNUFKJOYVBJ-UHFFFAOYSA-N 253.688 4.625 30 10 CJEE CCCCCN(C(C)C)[C@H](CC#N)c1ccccc1 55020564 CXHRWATUACYULY-QGZVFWFLSA-N 258.409 4.542 30 10 CJEE Cc1cc(C)c(C[C@@H](C#N)c2ccc(N(C)C)cc2)c(C)c1 57760787 MASMXVAAASOSDH-SFHVURJKSA-N 292.426 4.528 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@H](N)c1ccccc1 59083593 XMXOTDKEZOFPAL-ZWKOTPCHSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCNc1ccc(OC)c(F)c1 59228114 ANRCKNWWPZWVKS-UHFFFAOYSA-N 267.388 4.997 30 10 CJEE CCCCCCCCCN1C[C@H]2CCCC[C@@H]2C1 59315183 UKMNCGADSNJOJD-IAGOWNOFSA-N 251.458 4.859 30 10 CJEE CCCOc1ccc(C(=O)/C=C/c2ccco2)c(Cl)c1 83193912 CWLRCZMRXLCSHL-SOFGYWHQSA-N 290.746 4.618 30 10 CJEE CCC[C@H]1CCCN(C(=O)C(C#N)(CCC)CCC)CC1 83729409 KHOWTHBNTLNYLI-INIZCTEOSA-N 292.467 4.525 30 10 CJEE N#CC1(Cc2ccc(F)c(Br)c2)CCCCC1 87929908 OYFNZIMLNJLGOM-UHFFFAOYSA-N 296.183 4.605 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cccc(Br)c2)C1 87930460 MZUHXSGGEDZZKQ-IUODEOHRSA-N 292.220 4.712 30 10 CJEE CCc1ccc([C@@](C)(O)C2(C#N)CCC(C)(C)CC2)cc1 91878565 TUKYXFHBYOFRMM-GOSISDBHSA-N 285.431 4.567 30 10 CJEE Cc1ccc(OC[C@H](CS)C(C)(C)C)c(Cl)c1 94585137 HFHQULIQIRVCCO-LLVKDONJSA-N 272.841 4.619 30 10 CJEE CCC[C@@H](CS)CSc1ccc2c(c1)CCC2 94588894 UNMWXQRIZNXIEQ-LBPRGKRZSA-N 266.475 4.614 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1cc2ccccc2[nH]1 94629346 OJYJAXHNVKTSIM-UKRRQHHQSA-N 270.401 4.732 30 10 CJEE CCCCCCCCCCNC(=O)/C=C\c1ccco1 102252664 ZIJUCRXRMJFJTR-SEYXRHQNSA-N 277.408 4.550 30 10 CJEE CCCCCCCCOc1ccccc1/C(C)=N\O 104693479 BCDZRHIOOOLXOZ-VKAVYKQESA-N 263.381 4.624 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1ccccn1 105838767 OOAIVJFXPTZCDN-INIZCTEOSA-N 262.441 4.873 30 10 CJEE CCCCCCC[C@](C)(CO)Nc1cccc(C)c1 109780148 ZAIOBKYSMUEHDA-QGZVFWFLSA-N 263.425 4.518 30 10 CJEE CCCCCCCCO[C@H](c1cccs1)[C@H](N)CC 109988729 DFERJNLOLIXYFP-ZBFHGGJFSA-N 283.481 4.904 30 10 CJEE CCCCCCCCOCCCNc1ccccc1 110239496 WJXNLDDRNUFKFP-UHFFFAOYSA-N 263.425 4.866 30 10 CJEE CCCCCCCCN(CCC)c1ccccc1N 110369199 DABQCUBLCBTUJG-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](C)OCC 113370643 VPHKITQCPCBBKM-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE CCCCCCCCO[C@H](C)c1ccc(C(=O)OC)o1 118230751 KKMBSNPJJYKGSU-CYBMUJFWSA-N 282.380 4.504 30 10 CJEE C=CC[C@H](N)C(=O)CCCCCCCCCCCC 125001751 LNMNNBVUJJAXCQ-INIZCTEOSA-N 267.457 4.770 30 10 CJEE C=C(C)CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCC 125735087 RRSMSLUDJHSPEW-INIZCTEOSA-N 299.380 4.972 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1C=O 126805208 LVTSGAIVBLNXGP-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)c2ccc(C)s2)CC1 127276124 KHYBKILFJGOUFE-ARWYELJZSA-N 291.460 4.764 30 10 CJEE CCCCCCCCO[C@@H]1CCC[C@@H](NCCC)C1 129573659 SDRFJXLSAROEIR-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)N2CCCCCC2)CC1 130177969 XFGKICHRRDRICY-JCYILVPMSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(O)C1(C#N)CCCCCCC1 132205604 BHVOLMYJYOJNIS-QAPCUYQASA-N 277.452 4.818 30 10 CJEE Cc1cc(N[C@H](C)c2cccc(Cl)c2)ccc1C#N 132628466 HBCQDYSLYUBXNL-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](OCC)C(C)C 158226046 RKOZCMVBTMREEU-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)c2ccccc2n1 160488325 ZMFHQVIDGKLEKO-INIZCTEOSA-N 270.420 4.904 30 10 CJEE Cc1cc(C#N)cc(Sc2ccc(C(C)C)cc2)n1 161640875 HZIFFNFHDMLWMB-UHFFFAOYSA-N 268.385 4.536 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc3ccsc23)C1 163420073 HKNVRBFKUUMDIT-UHFFFAOYSA-N 256.370 4.674 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@](C)(CC)OCC 163976196 FLWBZWKAILMWAS-DLBZAZTESA-N 271.489 4.920 30 10 CJEE N#C[C@@H](c1ccc(F)cc1Cl)C1CCCCC1 167870489 VJYLYBRPCKEPRM-CYBMUJFWSA-N 251.732 4.667 30 10 CJEE CCCCCCCCC(=O)N1CCC[C@@H](C(F)(F)F)C1 192566423 RPOSONZPOANRIV-CYBMUJFWSA-N 293.373 4.538 30 10 CJEE CC(C)[C@H]1CCCC[C@]1(O)C1(C#N)CCC(C)(C)CC1 214829404 MDVJCJLSVQIYFG-CRAIPNDOSA-N 277.452 4.674 30 10 CJEE CCCCCCC[C@@H]1CC1(Br)Br 216682508 GSJKRCVOOHLKNP-SECBINFHSA-N 298.062 4.853 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SC(C)C)C1 225095307 LGYCMEXGNPUUPO-MJBXVCDLSA-N 253.455 4.873 30 10 CJEE C=C(C)CCC(=O)c1cc(Br)ccc1Cl 228693403 ABSKHWCCJBLNSG-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE CCCCCCC[C@H]1C[C@@H](NCC)c2ccc(F)cc2O1 229339188 JQRZHUGDWLFHAG-DOTOQJQBSA-N 293.426 4.988 30 10 CJEE O=C1C=C(C[C@@H]2CCCc3ccccc32)CCCC1 230164277 RENKIZVAUWGJNQ-INIZCTEOSA-N 254.373 4.566 30 10 CJEE CC(C)[C@@H](Nc1nc(Cl)c(C#N)s1)c1cccs1 232702853 YTYMHQRZOCIYKW-SNVBAGLBSA-N 297.836 4.539 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C)s1 232923545 QOTMDPLIXOBJAF-CYBMUJFWSA-N 254.443 4.592 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1(OCC)CCCC1 233163312 GUOHYHKAHGFXHB-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCC[C@@H](Cc1cccc(F)c1F)NCC 233537923 DPEIVHOXAGGFPN-HNNXBMFYSA-N 281.390 4.622 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(CC)s1 234117187 OULCHUBIQRQADU-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccccc1Br 234461604 UWPSRRAJEPZTFP-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE Cc1ccc(Oc2c(C)ccc(C)c2C)c(C#N)c1 235879882 MXLOWOCKKOWPPF-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCCCCCCN1C[C@H](CC(C)C)NC[C@H]1C(C)(C)C 250843546 ZEHMZHJXDNKVCB-ROUUACIJSA-N 296.543 4.691 30 10 CJEE CC(C)[C@H](C#N)c1ccc(Oc2ccccc2)cc1 259229772 MNWLWFNSRSVZHN-KRWDZBQOSA-N 251.329 4.742 30 10 CJEE C[C@@H](C#N)Cc1ccc(C(C(F)(F)F)C(F)(F)F)cc1 260246518 AQKNSMYEKOTSGQ-MRVPVSSYSA-N 295.226 4.597 30 10 CJEE CC(C)c1nc2c([C@H](CC#N)C3CC3)cccc2s1 260521652 LYCMGKIBAMKRES-GFCCVEGCSA-N 270.401 4.827 30 10 CJEE C[C@@]12CCC[C@@H]1[C@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1CC2 299872274 MSEZLHAVPJYYIQ-GFEQUFNTSA-N 272.432 4.908 30 10 CJEE CCC(CC)(CS)COc1cc(F)ccc1Cl 302448671 VHEWEECSWFSVGD-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCCCCCCCC[C@H](NN)C(C(C)C)C(C)C 306107589 UBFDIWONILPLFC-INIZCTEOSA-N 270.505 4.887 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2cc(Cl)c([N+](=O)[O-])cc2C)C1 312429356 LRCOQMBGCJJJAT-XHDPSFHLSA-N 292.766 4.528 30 10 CJEE CC(C)C1CCC(C#N)(c2nccc3ccsc23)CC1 313507056 LIWWJXFLKZQXAF-UHFFFAOYSA-N 284.428 4.904 30 10 CJEE CCCCCCCC[C@@H](NC)C(C1CC1)C1CC1 380712639 FKRFPMGGDVHTOM-MRXNPFEDSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cc(C)ns1 382214155 JGATVJGNJACQQU-CQSZACIVSA-N 268.470 4.853 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(C)ns1 382424842 COGBVMXBLWGSCR-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE C=CC(C)(C)CN[C@@H]1c2cc(Cl)ccc2CC1(C)C 384926327 HMQRICSSVPNZGX-OAHLLOKOSA-N 277.839 4.765 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 385154975 KTCULZAJQQBQGC-SECBINFHSA-N 290.209 4.995 30 10 CJEE CCCCCCCCC[C@H](COCC1CC1)NCCC 395546284 WJZOKQOSVHTAEB-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC(=O)c1c(F)cc(C)cc1F 398551492 CHMULKPLIQBSAJ-UHFFFAOYSA-N 254.320 4.816 30 10 CJEE CCCCCCCCC[C@H](NC)c1ccc(C)cn1 400542544 DJDXMRKWKULUEJ-INIZCTEOSA-N 262.441 4.791 30 10 CJEE C=CCCc1ccccc1NC(=O)CCC(C)(C)C 410345362 PASDDGATOWVQSV-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C=CCCC[C@@H](C)NC1CCC(C#N)(c2ccccc2)CC1 539511384 WFQWBYKFZKHEFP-QHGAOEGBSA-N 296.458 4.725 30 10 CJEE C=C(Br)CNc1cccc(-c2ccccc2)c1 689687432 ITYWOKHELQFMNC-UHFFFAOYSA-N 288.188 4.674 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(F)c(Cl)c1 692204142 KRXGWXBOAURRDX-XJKSGUPXSA-N 281.802 4.704 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc(F)c1Cl 692237884 AHIPYJCOKHHYKF-WFASDCNBSA-N 281.802 4.704 30 10 CJEE CCCCCCCCC[C@]1(CNCC)CCOC1(C)C 693324997 KDTRGZWVGJWLIX-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@H]1CCCC[C@@H]1C1CC1 695792864 XANLIGOPTMQDEX-SJORKVTESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@H](CN)CC(C)C 696039760 XVXLZYRVBQOKGF-QZTJIDSGSA-N 285.516 4.889 30 10 CJEE C=CCCSCCN[C@@H]1CCC[C@H](C(C)(C)C)CC1 696045083 PYPOKBUZLARHOM-JKSUJKDBSA-N 283.525 4.880 30 10 CJEE CC1(C)CCC(C=O)(CC(C)(C)C(C)(F)F)CC1 697083829 YGDANYJUHDIGIG-UHFFFAOYSA-N 260.368 4.843 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3cccc(C)c3)C[C@@H](C1)C2 697306784 LDZGGPDMKAAQLR-IAZCMVOBSA-N 269.432 4.781 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC[C@H]3C(C)C)C[C@@H](C1)C2 697334240 SZEQCVZOFCBDFE-VUXNLXKLSA-N 275.480 4.926 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H]2CCCC[C@@]2(C)O)C1 699325080 UXUDMYFQKOGLSI-WMLDXEAASA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCN1CC(C)(C)CC[C@@H]1CN 701581801 DXYPWJHWQSFDGU-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc2c(c1)CCCC2 701896696 UQPMGDVCXLSQLX-OAHLLOKOSA-N 271.448 4.818 30 10 CJEE C=CC(C)(C)CCNCc1cc(Cl)cc(Cl)c1 701920375 PDMQROPTVWBKAQ-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 710642189 RFGXRRQPYFJYEA-OWCLPIDISA-N 271.876 4.817 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@H]1/N=C1/NC2(CCCCCC2)CS1 713214271 KIJBNRHLONPZCS-ILXRZTDVSA-N 294.508 4.597 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC[C@@H](C3CC3)O2)CC1 715381520 HVPZBYGQAVXHDV-YCHGYYGWSA-N 278.436 4.510 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Br)c(C)c1 715720623 OUQVNRXITBOZJM-XHDPSFHLSA-N 296.252 4.620 30 10 CJEE CCCCCCC[C@@H](C)n1cc(N)c(C(C)C)n1 716644165 FLLKAXIROGXXJU-CYBMUJFWSA-N 251.418 4.510 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(CC)s2)CC1 724549863 QRSZKCWTEGSNAA-HNNXBMFYSA-N 263.450 4.708 30 10 CJEE C=C1CCC(C[C@@H](C[C@H](C)CC)NCCC)CC1 724591897 FWHZHZDLQSZPGS-RHSMWYFYSA-N 251.458 4.927 30 10 CJEE C=CCCC(=O)O[C@@H](C)c1ccccc1-c1ccccc1 733686988 QWQXCLDTUKXOPY-HNNXBMFYSA-N 280.367 4.924 30 10 CJEE C=CCCc1ccccc1NC(=S)Nc1ccccc1 799899878 DHDWZBNBOJDXDR-UHFFFAOYSA-N 282.412 4.614 30 10 CJEE C=CCC[C@@H](NC(=O)c1cccc(F)c1C)c1ccccc1 1127301652 NPNVOONCXGLPQZ-GOSISDBHSA-N 297.373 4.571 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CCCC1(C)C 1128471664 BKSSLORZRBOSSH-OAGGEKHMSA-N 293.495 4.898 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)/C=C\c1cc(C)c(C)cc1C 1134515903 XAMWEDHEJGZGMK-OEIFXAAASA-N 297.442 4.582 30 10 CJEE C[C@H](CCC#N)CN1CCCCC[C@H]1c1ccccc1 1180168631 ADTXVHXBDXQFPI-AEFFLSMTSA-N 270.420 4.544 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)Cc1ccc(C)cc1 1207449433 ZNHXNKMTFBJSTD-MRXNPFEDSA-N 259.437 4.508 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(CCCCC)C(C)C 1234227157 XJOBHMJEEQHWSJ-UHFFFAOYSA-N 282.472 4.589 30 10 CJEE C=CCn1c(SCC(CC)CC)nc2ccccc21 1307247025 HPQLOJSKMDZNKH-UHFFFAOYSA-N 274.433 4.751 30 10 CJEE C=CCCCC[C@H](C)NCC[C@H]1CCCC1(C)C 1308875214 ZHZRQYMXOHHIJG-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](NC(=O)Nc1ccc(C)cc1)c1ccccc1 1310069132 DZYSJEBPYHBOLO-SFHVURJKSA-N 294.398 4.824 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 1312825189 PWCJFNHJVXRAOS-FVQHAEBGSA-N 294.483 4.637 30 10 CJEE C=CCCCC(=O)NC(CC)(CC)c1ccc(Cl)cc1 1360146049 SMWGKEMLGARVOW-UHFFFAOYSA-N 293.838 4.828 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 1434942701 ZNFLIRWJRMRSFL-GOSISDBHSA-N 289.394 4.530 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1cccc(OC(C)(C)C)c1 1439460357 HTPMSHARSDWMHB-GOSISDBHSA-N 290.403 4.509 30 10 CJEE C=CC[C@H](C)N1CCC(Cc2ccc(C)c(C)c2)CC1 1460198533 UNFQKSSAQXQAAO-KRWDZBQOSA-N 271.448 4.523 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H](C)C1CCCCC1)c1ccccc1 1526209626 OVJSIEBTUAZNHK-VQIMIIECSA-N 299.458 4.821 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H]1CCCC[C@H]1C)c1ccccc1 1536305728 SQMIVDSIMRTNRY-NEWSRXKRSA-N 299.458 4.679 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1c(C)cccc1C 1537944167 HVSFFNGRWGTRGR-UHFFFAOYSA-N 285.431 4.512 30 10 CJEE C=CCCc1ccccc1NC(=O)C(CC)(CC)CC 1538139864 SXXKKJFIUMMQMD-UHFFFAOYSA-N 273.420 4.960 30 10 CJEE C=CCN(CCc1cc(C)cc(C)c1)Cc1ccccc1F 1560682384 BIITXCXLZDYTHG-UHFFFAOYSA-N 297.417 4.673 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(C)c(SC)c2)C1 1560911589 GVDWGFPHYKFBAH-KGLIPLIRSA-N 261.434 4.874 30 10 CJEE C=C1CCC(CNC(=O)Nc2ccc(C)c(Cl)c2)CC1 1562169007 DNLCZXCRTQUYDJ-UHFFFAOYSA-N 292.810 4.516 30 10 CJEE C(=Nc1ccc2ncccc2c1)c1ccc2ccccc2n1 1565517313 RXRWIWGTIYEVCR-UHFFFAOYSA-N 283.334 4.534 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@](C)(CC)CCCCC)C1 1583961511 YMBIQZFLCFBQBI-WMZOPIPTSA-N 279.468 4.798 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 1587195652 RLTISUVXUZSLGK-HIFRSBDPSA-N 264.409 4.513 30 10 CJEE CCCCOc1ccc(C#Cc2cccc(Cl)c2)cc1 1614825202 BBBWCFBWVRUZQX-UHFFFAOYSA-N 284.786 4.919 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@@H](CC)c2ccccc2)C1 1620760229 VNIUVKNFKUPNNV-JFIYKMOQSA-N 257.421 4.515 30 10 CJEE N#Cc1ccc(F)c(CSC2CCC(F)(F)CC2)c1 1641461912 RBKKTKKSBFGSAA-UHFFFAOYSA-N 285.334 4.508 30 10 CJEE C=C(C)[C@H](NCCCC(C)(C)C)c1ccc(F)c(F)c1 1642782103 QXAGOCNQWRLRQP-INIZCTEOSA-N 281.390 4.998 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCc1c(F)cccc1F 1643803044 NKGDETZFLHUNGX-KDOFPFPSSA-N 293.401 4.622 30 10 CJEE C#CCCCCCCN(CCC)[C@H]1CCc2ccccc21 1644427298 XGPCVWLKKTWUMA-FQEVSTJZSA-N 283.459 4.970 30 10 CJEE C=CCN(CC[C@H]1CCCC1(F)F)CC1CCCCC1 1644602962 KRVVZJDNGHFIBV-MRXNPFEDSA-N 285.422 4.880 30 10 CJEE C=CC[C@H](CC)NCc1cc(Cl)cc(C(F)(F)F)c1 1651009096 WMNRFXPFFVIHGN-ZDUSSCGKSA-N 291.744 4.803 30 10 CJEE CCCCCCCCCCN1CCSCC[C@@H]1C 1654364668 LPYMMLMBNGDFDI-INIZCTEOSA-N 271.514 4.955 30 10 CJEE C/C(=C\c1ccccc1)CNc1ccc(C2CC2)c(C#N)c1 1656851873 KGNIJXLXHVYROA-RVDMUPIBSA-N 288.394 4.951 30 10 CJEE C=C(C)c1cccc(NCc2nc3cc(F)ccc3o2)c1 1658114844 BCAQVTZYBZAJLT-UHFFFAOYSA-N 282.318 4.612 30 10 CJEE C=CCCCCCN(C)Cc1ccc2occc2c1 1658488651 CSVMOZZPNKMXLM-UHFFFAOYSA-N 257.377 4.611 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 1659664799 QEXBNFMIWVDJQU-GVDBMIGSSA-N 293.495 4.837 30 10 CJEE C=CCC1(CNCC(C)(C)Oc2ccccc2)CCCC1 1659780413 IWALIXKCIMOBNZ-UHFFFAOYSA-N 287.447 4.570 30 10 CJEE CCCCCCCCCN1CCS[C@@H](C(F)(F)F)C1 1660174435 BLYPLPSGJCVDGR-CYBMUJFWSA-N 297.430 4.717 30 10 CJEE C/C(=N\OCc1ccccc1Cl)c1ccc2c(c1)CCC2 1857937507 AKHVVMHJIXRTBR-DEDYPNTBSA-N 299.801 4.770 30 10 CJEE C#C[C@@H](N[C@H](CCC)c1ccc(Cl)cc1)C1CCC1 1878555935 YSNJRTZDIUPMPR-IAGOWNOFSA-N 275.823 4.573 30 10 CJEE CCCCCCCCN1[C@H]2CC[C@@H](C2)[C@H]1C(F)(F)F 1883320208 QOVPLOUOFMDJEE-IHRRRGAJSA-N 277.374 4.762 30 10 CJEE C=C(CN1CCC[C@@H]1c1ccsc1)c1ccccc1 1883360914 NESSHKDAEDUENA-QGZVFWFLSA-N 269.413 4.598 30 10 CJEE C=C1CCC(CN2CCC[C@@H]2C2CCCCC2)CC1 1884400010 SOUHDDCUHOBYKN-GOSISDBHSA-N 261.453 4.778 30 10 CJEE C=C1CCC(CN2CCC[C@@H](C3CCCC3)C2)CC1 1884408522 YYXFULYFHCUCBN-GOSISDBHSA-N 261.453 4.635 30 10 CJEE CC#CCCCCNc1ccc(Cl)c(C(F)(F)F)c1 1885243975 GAVRUKYPPRWDQJ-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H](C)CC(C)C 1888673906 HHEVDKYEJLFBLQ-YJBOKZPZSA-N 259.437 4.750 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccccc1C(C)C 1888688545 IEPRRCVWWFAFSW-GOSISDBHSA-N 251.373 4.523 30 10 CJEE CCCCc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1 1891603472 JSECONBXHQOTCV-UHFFFAOYSA-N 293.370 4.545 30 10 CJEE CCCCCCCC[C@@H](Cc1cccc(Cl)c1C)NN 1913075458 KAFKKTRPIFPSRV-INIZCTEOSA-N 296.886 4.773 30 10 CJEE N#C[C@@]1(Cc2nc3ccccc3s2)CCCC12CCC2 1921628161 VMWZJSWBEUOSLR-KRWDZBQOSA-N 282.412 4.703 30 10 CJEE C=C(COCc1ccccc1)[C@@H](C[C@@H](C)CC)NCCC 1922069209 OYGVHIBUNWPYGC-QFBILLFUSA-N 289.463 4.564 30 10 CJEE 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CJEE C=CC1(C[C@H](NCC)c2sccc2Cl)CCC1 2002631215 WXIJRIHOZTWTEZ-LBPRGKRZSA-N 269.841 4.799 30 10 CJEE N#C[C@H](c1c(Cl)cccc1Cl)[C@H]1CCC[C@H]1F 2006739628 BQTJQIJEYBRDLP-VDDIYKPWSA-N 272.150 4.739 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C(F)F)cs1 2009484174 JAVKSBUEVKIVQN-LLVKDONJSA-N 259.365 4.693 30 10 CJEE CC[C@](C#N)(Cc1cc(Br)ccc1F)C(C)C 2012407576 CELKDMUDTBUNQH-CQSZACIVSA-N 298.199 4.707 30 10 CJEE CCCCCCCN(C)CC(CC)(CC)CS 2019939156 RGLNXONRZNCQIG-UHFFFAOYSA-N 259.503 4.625 30 10 CJEE C#CCCN(Cc1ccc(Cl)s1)C1CCCCC1 2028937923 JYRYHQZOWSFJKU-UHFFFAOYSA-N 281.852 4.560 30 10 CJEE CCCCCCCCC[C@@H](NN)C(C)(C)C(C)C 2032299966 HAKDFQCICGUTQD-OAHLLOKOSA-N 256.478 4.641 30 10 CJEE C=C([C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(C)(C)C 2035420379 RJIWQANFWWKISR-FPCVCCKLSA-N 250.426 4.556 30 10 CJEE CCC[C@](C)(C=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 2045977562 ASGVFJZXTGHGRC-AVGNSLFASA-N 264.331 4.751 30 10 CJEE CCCCCCCN[C@@H]1C[C@@H]2CCCCCC[C@H]21 2047435520 WYNKVOJLWSTBSV-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE 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CCCCCCCCCC[C@@H](NC)c1cnn(C)c1Cl 2164132207 XNSQMMZBMNYEPS-OAHLLOKOSA-N 299.890 4.865 30 10 CJEE CN(c1ccc(C#N)cc1Cl)C1CC2(CCCCC2)C1 2164862969 SFJMTROLOULCPH-UHFFFAOYSA-N 288.822 4.761 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@H]2CC23CCCCC3)C1=O 2165680660 IUYBBSASDPSRCY-KBXCAEBGSA-N 273.420 4.636 30 10 CJEE C=C([C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@@H]21)C(F)(F)F 2166125056 BFVFCROMFZTYCQ-BARDWOONSA-N 289.385 4.690 30 10 CJEE CCSc1cccc(N[C@H]2[C@H]3CCCCC[C@H]32)c1C#N 2167253221 GERKJMDNJRATFG-FVCICTRLSA-N 286.444 4.661 30 10 CJEE C=CC1(C[C@@]2(CNC(C)(C)C)CCC(F)(F)C2)CCC1 2168027296 CRNLMNKONFJDHP-INIZCTEOSA-N 285.422 4.927 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)C2CCCC2)C1 2168432316 POEWSIRXRCAVKC-BURFUSLBSA-N 276.468 4.605 30 10 CJEE CCC1CCC(C#N)(C[C@@H](O)c2ccc(C)cc2)CC1 2169647906 QIFJMXARGFLOOV-IIIMJFFVSA-N 271.404 4.529 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@](C)(CC)C1 2171025220 IEBKXCHNKMNWGN-ROUUACIJSA-N 282.516 4.576 30 10 CJEE Cc1ccc([C@@H]2CCCCN2C[C@@H](CS)C(C)(C)C)o1 2171747055 QHJPKGPVJSLGMK-GJZGRUSLSA-N 295.492 4.707 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1cnc(C(C)(C)C)s1 2172964514 ZHWFQWCGOWFXNC-CYBMUJFWSA-N 294.508 4.564 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1nc2c(s1)CCCCC2 2173285844 DGUXERAYPKBRTD-UKRRQHHQSA-N 292.492 4.665 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(C(C)(C)C)cc1)NCC 2173289449 DYXPCLPSKHNYPF-MAUKXSAKSA-N 273.464 4.717 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(C)c(C)c1OC 2173290663 QFBKSKCGEDLXLQ-CXAGYDPISA-N 275.436 4.565 30 10 CJEE CO[C@H](C[C@]1(C=O)CCCCC12CCC2)C1CCCC1 2173676053 LABLXKLUAVEJFF-AEFFLSMTSA-N 278.436 4.511 30 10 CJEE C[C@@H](C[C@@](C)(O)C1(C#N)CCCCCCC1)C(F)(F)F 2177860354 KOTBOVABTZKVOA-QWHCGFSZSA-N 291.357 4.580 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@H]2C[C@@H]3CC[C@H](C2)O3)CC1 2181276802 DAHFYKDCPTXWMA-CUSZFKRNSA-N 278.436 4.510 30 10 CJEE CCCNC[C@@H]1CC[C@@H](CC)C[C@@H]1CC#C[Si](C)(C)C 2187468743 RKRWLKXSHKFASJ-SQNIBIBYSA-N 293.571 4.699 30 10 CJEE CCc1ccc(C#N)c(N[C@H](C)C(C)(C)C(F)(F)F)c1 2193197064 WXLPPVLWSYLGNJ-SNVBAGLBSA-N 284.325 4.510 30 10 CJEE C[C@H]1CCC[C@@]1(C)Nc1ccc(C(F)(F)F)cc1C#N 2193278977 MISALZBGPDPXHH-IINYFYTJSA-N 282.309 4.568 30 10 CJEE CCCCCCCCCC[C@@H](CC1(CCF)CC1)NN 2195195815 JDWJBDGUJIOCIW-INIZCTEOSA-N 286.479 4.879 30 10 CJEE CCCCCCCCCN1CCC[C@@]2(CCCOC2)C1 2195535360 NOJOVPXTUUPNAL-GOSISDBHSA-N 281.484 4.630 30 10 CJEE C#CC[C@H](C[C@H](NCC)[C@@H](CC(C)C)C(C)C)C1CC1 2196855811 DXWACDFTCBLJCW-QYZOEREBSA-N 277.496 4.722 30 10 CJEE CCCCCCCCCC[C@H](N)C1(C)CCN(C)CC1 2198766767 XJWXIDMHUDASJE-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE Cc1ccc(N[C@@H]2C[C@H]3CCCC[C@@]3(C)C2)cc1C#N 2199344058 QAEZPJDAZMLCGB-NXHRZFHOSA-N 268.404 4.638 30 10 CJEE N#Cc1cc(Cl)ccc1O[C@@H]1CCC[C@H]2CCCC[C@@H]21 2201106623 WHYCHIRQBGKGBJ-ISTRZQFTSA-N 289.806 4.949 30 10 CJEE C#C[C@@H](N[C@@H](CC)c1ccc(C)cc1)C1CCCCC1 2203799974 DZFMMWFDPRYEKL-MOPGFXCFSA-N 269.432 4.618 30 10 CJEE CCCCCCCC[C@@H](N)c1c(OC)ccc(F)c1F 2204387204 KLEGZAXXTXAZRA-CYBMUJFWSA-N 285.378 4.724 30 10 CJEE CCCCCCCCCC[C@H](O)C12CC(CC)(CO1)C2 2205185723 HBHWUFNDABOZJF-AOCRQIFASA-N 282.468 4.837 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H](O)c1csc(C)c1C 2206887518 YMLULHFMLCJINV-SJORKVTESA-N 295.492 4.513 30 10 CJEE C=CCCCCCC[C@]1(CNC(C)C)CCCOCC1 2206891527 LLEVJWNPAISEOB-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCCN(CC)CCCN(C)C 2207372311 FBZQSQHSNWXSBN-UHFFFAOYSA-N 282.516 4.567 30 10 CJEE C=CCCCCCCCCN(C[C@H]1CCOC1)C(C)C 2207376014 VXLCPADFYDCNHL-GOSISDBHSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCOC1C(C)(C)C(N)C1(C)C 2207388775 ARXZFECBYLDTOM-UHFFFAOYSA-N 281.484 4.682 30 10 CJEE C=CCCCCCCCCNCC[C@@H]1OCCC1(C)C 2207396154 JTTPAJCEDSMWLG-KRWDZBQOSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCCCC[C@H]1N 2207402849 FLUWIFWMTBUIRO-IAGOWNOFSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@H](N)c1c(C)n[nH]c1C 2207405262 WYYSXTREQDCMND-INIZCTEOSA-N 277.456 4.723 30 10 CJEE C=CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1OC 2207405747 YJPIEXXHUPSWSJ-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](O)C1C[C@@H]2CC[C@H](C1)O2 2207407722 FYHAGXWJQFQROZ-HQSKLWIPSA-N 280.452 4.612 30 10 CJEE C=CCCCCCCCCCOC[C@]1(C)CCCNC1 2207428853 CKIIYDXTHZZFJV-GOSISDBHSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@](C)(O)CC=C 2207433107 WOGNZAVXMAEJIT-QZTJIDSGSA-N 281.484 4.598 30 10 CJEE C=CCCCCCCCC[C@H](N)C1(OC)CCSCC1 2207434057 DLPARWANBBNBMW-INIZCTEOSA-N 299.524 4.533 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H](OCC)C(C)C 2207436985 MNIVXRSEGSGYBN-ROUUACIJSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCCCC[C@@H](N)C1(CCOC)CC1 2207445332 BCISQTRSAVMESC-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)ncc1C 2216941134 NCFMDJKPGHCAIS-GFCCVEGCSA-N 253.773 4.557 30 10 CJEE CCCCCCCC[C@](C)(N)c1cscc1C 2217290250 GDNQOOBCPOJINN-HNNXBMFYSA-N 253.455 4.981 30 10 CJEE CCCCCCCC[C@H](CCCCC1CC1)NN 2220028011 OCQAAPBPJLDFFR-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCCCOc1c(C=O)sc(C)c1C 2221895091 FWOAAODSVJLWJD-UHFFFAOYSA-N 268.422 4.917 30 10 CJEE SCCCCCCCCCOC[C@H]1CC2CC1C2 2222321070 RSAGEHWUUSJJDQ-UYSNPLJNSA-N 270.482 4.710 30 10 CJEE CCCCCCCCCCCO[C@H](CN)CCC 2223271656 HAFGJDGFCRGNCW-INIZCTEOSA-N 257.462 4.661 30 10 CJEE CCCCCCCC[C@H](C)NCCc1ccco1 2223857729 RAXRHZWHBFGCJP-HNNXBMFYSA-N 251.414 4.551 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC12CCC2 2225346843 BUFDEHRFQDYIIL-LHHMISFZSA-N 260.421 4.742 30 10 CJEE CC#CCCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 2225666299 LUQZHIIAGVUIPC-OAHLLOKOSA-N 298.257 4.708 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CCC[C@H](C)O2)CC1 2226855808 PIMHYZGQMSGRHF-ORBLRFAASA-N 263.425 4.834 30 10 CJEE C=C([C@H](NCCC)[C@@]1(C)CC=C(C)CC1)[Si](C)(C)C 2229023264 ZAFGRZSTLFJCQA-IRXDYDNUSA-N 279.544 4.925 30 10 CJEE C[C@@H](NCCC#CC(C)(C)C)c1ccc(F)cc1Cl 2230511855 ZHVUZGSQIKHHTC-GFCCVEGCSA-N 281.802 4.569 30 10 CJEE C=CCCCCCCCCO[C@@H]1CCCCCC[C@H]1N 2234047390 VFPPTNUOLIHPBK-QZTJIDSGSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@@H]1CNC(C)C 2234057513 NRAGCBPNYZYQFZ-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCNc1cnn(C(C)(C)C)c1 2234086674 WTUMUTILEXICNQ-UHFFFAOYSA-N 277.456 4.967 30 10 CJEE C=CCCCCCCC[C@H](Cc1scnc1C)NCC 2235514662 WQJJELCRMXGKOD-MRXNPFEDSA-N 294.508 4.889 30 10 CJEE C=CCCCCCCC[C@]1(CNC)C[C@@H](OC)C1(C)C 2235526955 QCDBQPVRLVPVFL-SJLPKXTDSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCN(CC)Cc1cccc(C)n1 2235539819 RDKOKXBMPUEOBW-UHFFFAOYSA-N 274.452 4.739 30 10 CJEE CCOCCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 2235693346 DTMXEQQRMBWVHC-BZUAXINKSA-N 297.508 4.891 30 10 CJEE CCc1ccc(C#N)c(NC[C@]2(C)CC=C(C)CC2)c1 2237336674 HAHINXOZHPXETQ-GOSISDBHSA-N 268.404 4.669 30 10 CJEE CCCCCCCCCCCOC[C@@H]1NCCC[C@H]1C 2239487475 QQJCZZLMMOOWQI-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOCC(=O)OC(C)(C)C 2239493436 SLAXERRPTRTAHC-UHFFFAOYSA-N 286.456 4.876 30 10 CJEE CCCCCCCCCCOC[C@H](C)CNC1CCC1 2239502086 NPQDSECPJOVRJN-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)[C@H]1CCC[C@H](C)C1 2240636893 BZDPTMCPHSWEMX-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)c1ccsc1 2240639893 KGINZNFFACMVME-IRXDYDNUSA-N 297.508 4.900 30 10 CJEE CCCC#CC[C@H](NCCC)c1cccc2ccoc12 2241193992 GLRNRHMWUKOLJN-KRWDZBQOSA-N 269.388 4.667 30 10 CJEE C=CCCCCCCCSC[C@@H](N)[C@H](C)CC 2250061969 NWEKJXPQZUIHEL-HUUCEWRRSA-N 257.487 4.620 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc2ccccc2s1 2254184903 QWJDKLMKFLRWHL-JSGCOSHPSA-N 259.418 4.764 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@@]1(C=O)CCCC(F)(F)C1 2254588458 HPQJXKMCLPVVMB-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CCCCCCCCC[C@@H]1[C@H]2CC[C@@H]1C[C@@H](N)C2 2258012102 OGSYXTJQDZVSGP-WNKDZCFJSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@@H](O)Cc1ccc(F)c(Cl)c1 2259187983 QFGMOPCHMMIRIH-CYBMUJFWSA-N 270.775 4.519 30 10 CJEE C=C(C)CCCC[C@H](N)Cc1ccc(Cl)cc1Cl 2259197104 UFGHFTQCDSBQMG-AWEZNQCLSA-N 286.246 5.000 30 10 CJEE C=C(C)CCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 2259212712 QGYSXPWNSYNCJF-UHFFFAOYSA-N 286.202 4.895 30 10 CJEE C=CCC1(C)CN(CC[C@@H](C)CCCC(C)C)C1 2259599667 HIGJIHKFQNRVQZ-INIZCTEOSA-N 251.458 4.737 30 10 CJEE C=CC[C@@H](C)Oc1cc(Cl)sc1CN[C@H](C)CC 2259946175 KOXIHDWMHJKXQF-GHMZBOCLSA-N 287.856 4.633 30 10 CJEE C=CCCCCCCCCSC[C@H]1NCC[C@H]1C 2260368147 MISKXOQGTUPAIC-HZPDHXFCSA-N 269.498 4.634 30 10 CJEE SCCCCCCCN1CCC[C@@H]1c1cccs1 2263208597 GLJGGTMDVIWAAD-CQSZACIVSA-N 283.506 4.765 30 10 CJEE Cc1sc(Cl)cc1C(=O)C#Cc1ccccc1Cl 2263398079 MEJWVCCREVNDGJ-UHFFFAOYSA-N 295.190 4.598 30 10 CJEE C[C@@](C=O)(CC1CC2(CCCC2)C1)c1ccccc1 2265203923 UTRXHBPWAGMEJL-KRWDZBQOSA-N 256.389 4.504 30 10 CJEE N#C[C@@H](CSCC1(C(F)(F)F)CC1)C1CCCCC1 2266542841 PVRZLMFLRWYAQD-LBPRGKRZSA-N 291.382 4.782 30 10 CJEE Cc1cc([C@@H](N)CC=CC#CC(C)(C)C)ccc1Cl 2268746770 FZHLKKFCZCMQLB-INIZCTEOSA-N 275.823 4.644 30 10 CJEE CC[C@H](CC(F)(F)F)C(=O)CC=CC#CC(C)(C)C 2268763193 WUWGUMSCDJFKRQ-GFCCVEGCSA-N 274.326 4.530 30 10 CJEE C[C@@H]1C[C@H]1CCCCOC[C@H](CS)c1ccccc1 2268826644 AEABUUOUURMMFE-DJIMGWMZSA-N 278.461 4.543 30 10 CJEE C=CCCCSc1ccc(F)cc1CN[C@@H](C)CC 2271592590 XVYBYLCPOBJBJP-ZDUSSCGKSA-N 281.440 4.772 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(F)cc1F 2271784418 FRYKRAOAMMWXIL-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE CCCC[C@](C=O)(CC)CC1(CSC)CC(F)(F)C1 2273939553 IWDIDVWHVWNPNJ-CYBMUJFWSA-N 292.435 4.941 30 10 CJEE C[C@@](N)(C#CC1CCCCC1)c1cccc(Cl)c1Cl 2273990082 KKSBXJMRKPCLGU-MRXNPFEDSA-N 296.241 4.751 30 10 CJEE CCCCCCCCCC[C@](C)(OCCN)C(C)C 2276670508 OWWAAZLBJGLJID-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE CC=C(CC)[C@H](N)[C@@](C)(O)CCCCCCCCC 2278233662 FARAEUHEPQABOX-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE N#Cc1c(Cl)cccc1OCC[C@@H]1CCCCC12CC2 2279643227 JWQXIEBDTKTMFD-ZDUSSCGKSA-N 289.806 4.951 30 10 CJEE C=CCSc1ccccc1NCc1ccc(O)cc1C 2282763907 AIGKDNZARJSYDU-UHFFFAOYSA-N 285.412 4.591 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@@]2(CS1)C[C@H]1CC[C@H]2C1 2283928929 LEPHJLKFZLLBRC-LJIGWXMPSA-N 294.508 4.597 30 10 CJEE CN[C@H](CCC=CC#CC(C)(C)C)c1ccc(C)cc1 2284071343 RNDHCUSTRDCDLF-GOSISDBHSA-N 269.432 4.641 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC[C@H](C)C1 2284089097 NPNCWBUFUWILGL-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE C[C@H](C[C@@H](O)CC=CC#CC(C)(C)C)c1ccccc1 2284137954 VHCMOEYCPUGJMW-AEFFLSMTSA-N 270.416 4.537 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C[C@@]12CCC[C@H]1C2 2284154570 BQCYOVMLYUQBQZ-SCTDSRPQSA-N 273.464 4.541 30 10 CJEE C[C@H](N(C)CC=CC#CC(C)(C)C)C(C)(C)C(F)(F)F 2284177410 HUHVHZVHFFIGNG-ZDUSSCGKSA-N 289.385 4.501 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1C[C@]1(C)COC 2284696215 QCOOVSXEFFKKAO-OKZBNKHCSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCSc1ccc(OC)cc1CN 2287077598 MKOVWBIJSKATAQ-UHFFFAOYSA-N 293.476 4.773 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)c1cscc1C 2287381717 ZUSYNEFTGGCODZ-DLBZAZTESA-N 295.492 4.595 30 10 CJEE CCCCCCCCCC(=O)CNCC1CCCCC1 2288099994 QHXZJJFJSBWARM-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE C=C[C@@H](C)CCN(C)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2288902341 WTOVKLBRMOIHHH-WZYMTQMTSA-N 285.422 4.592 30 10 CJEE C=CCCC[C@H](Cc1ccc(C)c(F)c1F)NCCC 2289722378 WFAVSHCLNUWJCP-OAHLLOKOSA-N 281.390 4.540 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCCC(C)(C)C2)c(F)c1F 2289806188 AKZMFCIOIGSPTJ-KRWDZBQOSA-N 277.358 4.926 30 10 CJEE CC(C)NC[C@@]1(CC#CC2CCCC2)CCCC1(C)C 2289899525 RDOZBHWWUOPSDR-LJQANCHMSA-N 275.480 4.765 30 10 CJEE C[C@@H]1NC(=NCC2CC(CC(C)(C)C)C2)SCC1(C)C 2290030512 GUSSWAZQHVHFAI-HSBZDZAISA-N 296.524 4.556 30 10 CJEE C=C(C)CCO[C@@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2290211026 VDSLXJVWJJFDSV-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CCCCCCC[C@H](CC[C@H]1C[C@@H]1CC)OCC(=O)O 2291821808 GCNLUUHWEKIBHC-HRCADAONSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1cscc1F 2292653496 SECQOPVGEJEWQE-INIZCTEOSA-N 299.455 4.820 30 10 CJEE CCCCCCC[C@@](C)(CC1=CCCCC1)OCCN 2292751758 UYYNQLTZDQCIBP-SFHVURJKSA-N 281.484 4.971 30 10 CJEE C=CCCC[C@@](C)(OCCCN)[C@H]1CCCC(C)(C)C1 2293573240 QDNQGPGTXSAUCM-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@@H]1CCCC[C@H]1C 2293599539 JHWJVLPBLRHRBS-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1CC12CCC2 2294587922 SUYAGNMOKOUYDW-SJORKVTESA-N 281.484 4.661 30 10 CJEE C#Cc1ccc2c(ccn2C[C@@H]2CCCC3(CC3)C2)c1 2295162546 RQHRBQWFGZRMBS-MRXNPFEDSA-N 263.384 4.593 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(N)C#Cc2ccccc2Cl)C1 2295212099 PZVXBKSPKJHKLU-QAPCUYQASA-N 289.850 4.625 30 10 CJEE CC[C@@](O)(C#Cc1ccccc1Cl)CC1CCCCC1 2295238035 VHPHUCHUWDVPJH-GOSISDBHSA-N 290.834 4.803 30 10 CJEE CC#CCCC[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2295296428 MARBTTSYNTUWDN-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1nc2c(s1)CCC2 2295591472 FKFDBEWKAAAUKM-QGZVFWFLSA-N 295.492 4.980 30 10 CJEE CCCCCCCCC[C@](C)(N)c1ccn(CCC)n1 2295595199 VSWYEPOXSQQZLP-KRWDZBQOSA-N 279.472 4.608 30 10 CJEE CC(=CC(=O)c1ccc(C)cc1)Nc1ccccc1C 2297352194 NSBGZGTYEMJDOS-UHFFFAOYSA-N 265.356 4.502 30 10 CJEE C[C@H](CCSCc1ccc(C#N)cc1Cl)C(F)F 2316638538 ZSBQENSFXWMALH-SECBINFHSA-N 289.778 4.736 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1nc(Cl)cs1 2316706344 ODKZVZIWAUWXBU-ZDUSSCGKSA-N 284.856 4.606 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H](CC)CC(F)(F)F 2321116820 LKLXNXRYUJSDOX-XQQFMLRXSA-N 265.363 4.675 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC[C@@H]1C[C@@H]1C)NCC 2321136001 ZTJVQBRJMJUXRC-VVLHAWIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)c(F)c1F 2321231725 HDLWFBMBSCGBJC-KGLIPLIRSA-N 274.738 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC[C@H]1CCC(C)(C)C1 2321644700 HGBQFAQUZRDULY-ZOBUZTSGSA-N 252.442 4.946 30 10 CJEE C#C[C@@H](CCC)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327872357 HTRIJWHHIPVLAA-RYUDHWBXSA-N 284.230 4.754 30 10 CJEE C=C1CCC(CN[C@H]2C[C@H]3CCCC[C@@]3(C)C2)CC1 2328924176 UGZBDNHKYXELOQ-SQNIBIBYSA-N 261.453 4.681 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)NCC 2333327828 ICUHPWMMRWRGKD-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)N[C@H]1CC[C@H](C)c2ccccc21 2335205157 ZXAQZUXOGIQKBR-KSSFIOAISA-N 255.405 4.735 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CCC)c1ccccc1 2337114589 RRTPNGLTZKUIBN-NXHRZFHOSA-N 257.421 4.862 30 10 CJEE C=C1C[C@@H]1CC(N)(C1CCCCC1)C1CCCCC1 2338344988 ZMLRHFGGAASWDG-OAHLLOKOSA-N 261.453 4.811 30 10 CJEE CC(=CC[C@@]1(C#N)CCO[C@H](C)C1)CCCC(C)C 2338442193 HYSACHATZUVBCJ-IAGOWNOFSA-N 263.425 4.858 30 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2353834437 MZVRTUJVTCBDPN-MBNYWOFBSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1[C@@H]2CCCO[C@@H]21 2355555537 ZXNYYZALZJBSQB-MHORFTMASA-N 281.484 4.530 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2CC[C@@H]3[C@H]2C3(F)F)CC1 2355989819 AJQRGZSIMMTCGD-FQUUOJAGSA-N 282.374 4.619 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CCC[C@@H](N)C1 2358321782 FGTAAXYGANFCAQ-RCCFBDPRSA-N 281.484 4.562 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC[C@H]1C)OCC(=O)O 2360001712 CVMTUFZRTWLIEU-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@@H](C)NCC)cc1C 2360214751 LZBARTUHNSLJTK-OAHLLOKOSA-N 273.420 4.565 30 10 CJEE C=CCC(CC=C)n1c(C)cc2c1CC(C)(C)CC2=O 2360322756 GFHXWWLIDQXJJO-UHFFFAOYSA-N 271.404 4.645 30 10 CJEE C=CCC(CC=C)SCc1cc(C(C)=O)ccc1OC 2360377501 JQRWCQWIYHRHBA-UHFFFAOYSA-N 290.428 4.652 30 10 CJEE N#Cc1ccccc1NC1CC(c2cccc(Cl)c2)C1 36842282 KZMSNHKCGCQFKM-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CCc3ccccc32)cc1 36922298 ITHKKMHVZMPLIL-GOSISDBHSA-N 276.383 4.587 30 10 CJEE CCc1ccccc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306400 POEBVSOGMHKZCG-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE CCc1c(-c2cc(Cl)cc(Cl)c2)sc(C#N)c1N 44273908 CHSDJGBTUMEIRO-UHFFFAOYSA-N 297.210 4.738 30 10 CJEE N#CCCCCNc1c(Cl)cc(Cl)cc1Cl 49578389 OGMOGMPWECHTNB-UHFFFAOYSA-N 277.582 4.753 30 10 CJEE N#CCCCn1c(CCC2CCCCC2)nc2ccccc21 57868924 CMSHAUZNSAFBIF-UHFFFAOYSA-N 295.430 4.853 30 10 CJEE CCCCCCCCCNc1ccc(C(=O)O)cc1 60053614 GNYLAZAAYPGMLE-UHFFFAOYSA-N 263.381 4.547 30 10 CJEE C[C@H]1CC(Nc2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1 84463945 AWBXUYBOQBKLFT-ZIAGYGMSSA-N 270.420 4.724 30 10 CJEE C[C@@H]1CC(Oc2ccc(C(F)(F)F)cc2C#N)C[C@H](C)C1 84961151 IUCCVZJDNSFOKJ-BVUQATHDSA-N 297.320 4.781 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C 84984271 GTOHBXWPLKLUEG-GMXVVIOVSA-N 296.336 4.814 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2c(F)cccc2Cl)C1 91881264 DXGLXEKAQPEZBX-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@@H](CS)C(C)(C)C 94583623 BXLOCBCVWRFYSX-HZSPNIEDSA-N 258.471 4.564 30 10 CJEE Cc1nc2ccccc2n1CC1(CS)CCCCCC1 94586722 XGHJKSCTNDILRK-UHFFFAOYSA-N 288.460 4.615 30 10 CJEE SCC1(CSc2ncccc2Cl)CCCCC1 94589696 RBINAOJBEQKJNB-UHFFFAOYSA-N 287.881 4.707 30 10 CJEE Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(C)c2)cc1 96887596 YANKECLTMQLUJC-JXMROGBWSA-N 270.759 4.853 30 10 CJEE C=CCC[C@@H](Cc1cccc2ccccc12)NCCC 97220619 GURBQRGOVHFKQR-SFHVURJKSA-N 267.416 4.717 30 10 CJEE SCCCCCCCCCN1CC[C@@H]2CCCC[C@H]21 97799548 BIPVRXLCQIMMKA-DLBZAZTESA-N 283.525 4.911 30 10 CJEE C/C(=C/C(=O)c1ccccc1)Nc1cccc(Cl)c1C 104723945 DCWZIVSGHCRSEL-QXMHVHEDSA-N 285.774 4.847 30 10 CJEE CCCCCCCO[C@@H](c1ccc(Cl)s1)[C@H](C)N 105567598 LHBAGPSUUUUMPP-SMDDNHRTSA-N 289.872 4.777 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 110023377 FSSQLRWGTHNHAN-ULQDDVLXSA-N 284.484 4.939 30 10 CJEE CCCCCCCCCCCCN(CC(=O)OC)C(C)C 110044570 CLTYHLYCAIHCDM-UHFFFAOYSA-N 299.499 4.791 30 10 CJEE CCCCCCC[C@@H](CNC)Cc1ccccc1C 110191112 XVVLKFUTYPDNHG-QGZVFWFLSA-N 261.453 4.734 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@@H](C(C)C)CCC1=O 110325816 JHLKLURZISQLKD-GJZGRUSLSA-N 266.425 4.557 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]1c1ccccc1 110449046 URCMQLJOTOFDOA-ZWKOTPCHSA-N 259.437 4.883 30 10 CJEE CCCCCCCCCC(=O)N[C@@H](C)c1cccc(N)c1 115854559 JNRHZIXCPSKFSM-HNNXBMFYSA-N 290.451 4.587 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](OCC)C1CC1 123186091 IBRCMOHCBOZJBH-SJORKVTESA-N 270.457 4.693 30 10 CJEE CC#CCC[C@@H](C[C@@H](C)CC(C)(C)C)NCCC 124767756 DDPMOKIDTYTQFO-CVEARBPZSA-N 251.458 4.621 30 10 CJEE CC[C@H](C)c1ccc(NCC(C)(C)CCC#N)cc1 125111754 OAKXPMDDUKSYRX-AWEZNQCLSA-N 258.409 4.942 30 10 CJEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccccc1F 125659652 PUVOJUXMPPYTAR-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCCCCNc1ccc(OCC)nc1 127494242 KGYMXFIRAQBNTL-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)c1cscn1 129933578 XBNVPHSQLYABJG-OAHLLOKOSA-N 297.512 4.959 30 10 CJEE CCCCCCC[C@@H](NCCC)c1occc1C 133294408 NAFLZIVBTXDHID-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE CSc1cccc(Oc2cccc(C)c2C)c1C#N 136703663 LHTJUTFPKZQIOH-UHFFFAOYSA-N 269.369 4.689 30 10 CJEE CCCCCCCCCN1CCCCC[C@@H]1CC(C)=O 149957985 RBAMCAYZBPPIOG-GOSISDBHSA-N 281.484 4.961 30 10 CJEE C[C@H](N[C@H](C)C1CCCCCC1)c1ccc(C#N)cc1 150039419 DAKXZWMYZLYUNW-CABCVRRESA-N 270.420 4.568 30 10 CJEE Cc1ccc(C)c([C@@H](O)C2(C#N)CCCCCCC2)c1 156806541 OPPPCTYSOLDLEV-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE CCCCCCCC[C@@H](O)c1cn(C)nc1C(C)(C)C 157865215 SRWVLDGMGPKDJA-OAHLLOKOSA-N 280.456 4.502 30 10 CJEE C#CCN(CCC)C(=O)CCCCCCCCCCC 161967110 VHNTWIHSEAIXMH-UHFFFAOYSA-N 279.468 4.779 30 10 CJEE C[C@H]1CC[C@H](Nc2ccc(F)c(C#N)c2)c2ccccc21 163761244 YUDGBHJOMMWPQK-SGTLLEGYSA-N 280.346 4.748 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1ccnn1CC 165728506 YNUSOBTVBOFUPI-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE C=CCCC[C@@H](NC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 167682328 PKLVFWVWOCUMLL-HYLCPLCXSA-N 261.453 4.537 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(C(C)C)cc1 168060079 ZHEBWPZKOOIXSU-SFHVURJKSA-N 257.421 4.654 30 10 CJEE Cc1cc(C#N)ccc1Oc1ccc(C(C)(C)C)cc1 203443998 HEOAAADLVSFGMI-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CCCC[C@H]2C(C)C)CC1 214732109 XRNYYZYCHQIEGZ-JEVOJNTISA-N 291.479 4.920 30 10 CJEE CCCCCCC[C@H]1C[C@@H](N)c2cc(C)ccc2O1 229106427 YJKVPMJZTLSANR-GOEBONIOSA-N 261.409 4.506 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H](CC)c1ccccc1 229755429 SGXROGZVOGTTPX-QZTJIDSGSA-N 259.437 4.905 30 10 CJEE CCCCCCCCNc1cc(Cl)c(F)cc1N 232942011 UCESHTCVHHZRFB-UHFFFAOYSA-N 272.795 4.834 30 10 CJEE CCCCCCCCC[C@H](NC)c1nc(C)cs1 232994823 MQWIMOIUFDVVDL-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](OCC)C(C)(C)C 233124353 AUTGFBDBSITQSU-DLBZAZTESA-N 283.500 4.942 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc3ccsc23)CC1 235379870 KHRVBBVZQKSDOS-NSHDSACASA-N 256.370 4.830 30 10 CJEE Cc1cc(OCc2cc(F)ccc2C#N)cc(C)c1Cl 235854508 CKJPWQCGDWZURV-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCCC(=O)c1ccccc1OC(F)F 236160143 WBXGHXDHNWBVLO-UHFFFAOYSA-N 268.303 4.607 30 10 CJEE CCCCCCCCCN1C[C@H](CC)NC[C@H]1CC(C)C 250830003 QHGYBPFPTBRBFT-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CC)CC[C@H]1NC 250838521 WLHUJGHSEKPHRL-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE Clc1cccc(N=Cc2ccccc2)c1Cl 254483539 LFVRMCMONMLWBV-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE CC(C)c1nc2c(CC(C)(C)C#N)cccc2s1 260367435 CQLFCQHROOOOGT-UHFFFAOYSA-N 258.390 4.512 30 10 CJEE CC1CCC(c2ccc(C3(CC#N)CC3)cc2)CC1 260510640 GPOXPBOJEPIIDI-UHFFFAOYSA-N 253.389 4.926 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2nccc3ccccc23)C1 312449193 OGDFHTJFFBXEPU-KBXCAEBGSA-N 264.372 4.596 30 10 CJEE Cc1ccc(Br)cc1C[C@]1(C#N)CC[C@H](C)C1 314662870 UOKKYIYENIZKAF-NHYWBVRUSA-N 292.220 4.630 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CCC3(CCCC3)O2)CC1 316799093 IQZMDANAZPTCJG-OAHLLOKOSA-N 278.436 4.654 30 10 CJEE C=CCCC[C@H](NCCC)c1cnc2ccccc2c1 380865200 LBFYHYVBRPJIOT-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=CCCCCCn1ccc(CNCC(C)C)c1CC 380900934 DYSSMBJIJCWTFT-UHFFFAOYSA-N 276.468 4.543 30 10 CJEE CCCCCCCCCC[C@H](NN)C(C)(C)OC(C)C 384196420 XFJOCNAHVFYYQQ-INIZCTEOSA-N 286.504 4.553 30 10 CJEE C=CCN(c1cc(Cl)c(Cl)cc1N)C1CCCC1 384609509 UVCHNHVUAAZLNP-UHFFFAOYSA-N 285.218 4.511 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](C)CCOC 386253766 LMTXXWRBEQCDMD-JKSUJKDBSA-N 257.462 4.517 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1ccc(C)cc1Cl 387410703 CRBIJMYCLOIIJW-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(F)ccc1Cl 394046409 CVEIFYJMUVSXRE-HNNXBMFYSA-N 281.802 4.569 30 10 CJEE CC[C@H](C)C[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 394420458 OZRVZESMGLRWAS-UJEKJILKSA-N 265.441 4.530 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1cccc(Cl)c1 397496957 FKPNBHZRVYWNEV-SNVBAGLBSA-N 253.798 4.618 30 10 CJEE CCCCCCCCCC[C@@H](CC1(COC)CC1)NC 401243950 JYFYIWVEWLHXCO-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1cc(C#N)ccc1Cl 401432010 YBEJJSHQPSCVGM-ZIAGYGMSSA-N 276.811 4.840 30 10 CJEE C=CCCc1ccccc1NC(=O)CCSCCCC 410394317 XLBFBBJXPDKRBR-UHFFFAOYSA-N 291.460 4.667 30 10 CJEE N#C[C@@H]1CC[C@H]([C@@H]2C[C@H]3CCCc4cccc2c43)C1 442761241 BTANJKAROJMJHD-JWDQPFGJSA-N 251.373 4.534 30 10 CJEE C=C(C)CCSCC(=O)Nc1c(C)cccc1C(C)C 507819699 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286.872 4.974 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CCCC[C@H]1C 2259210342 HLYQZANAVLHLEP-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@@H](O)C1CCC(C(C)C)CC1 2259211632 UKXMSBHASJRURW-OFLPRAFFSA-N 252.442 4.946 30 10 CJEE C=C(C)CCCC[C@H](CCC(C)(F)F)NCCC 2259213745 WWSLPORXFWMYPA-CQSZACIVSA-N 261.400 4.927 30 10 CJEE Cc1ccc(C#N)c(SCC23CCC(CC2)C3)c1 2261285859 HPXOWWZWHBEYHL-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE CCCCCCCCC[C@@](C)(C#N)NC1CCC1 2263669232 IAKKPXRNKPMBOJ-INIZCTEOSA-N 250.430 4.551 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc3cccnc3s2)CC1 2265456636 IOAPDSSTBOMJNF-NSHDSACASA-N 271.385 4.616 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CC(F)(F)C12CCC2 2266153045 QIXIIQYLTVRVBB-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(C)cc2F)C1 2266784757 WUSLDCFOEZKHPW-WMLDXEAASA-N 259.368 4.787 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)CCC[C@@H](C)C2)cc1 2268243561 PNAFSDRVRXIJDC-CRAIPNDOSA-N 255.405 4.902 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCC2(C)C)cc1 2268251484 YSHJJDUBCGWIPC-GOSISDBHSA-N 258.405 4.577 30 10 CJEE CCCCCCCN(C)Cc1ccccc1NCC 2271352951 BTGLXNFCOIHKOC-UHFFFAOYSA-N 262.441 4.521 30 10 CJEE C=CCCCCCCCSc1cccc(C#N)c1N 2271582869 SAWHJAVKCRGDFB-UHFFFAOYSA-N 274.433 4.759 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(OCCC)cc1 2271764003 LWPYMWFOOXHFBL-QGZVFWFLSA-N 261.409 4.612 30 10 CJEE C=C[C@H](C)CCN(C)c1nc(Cl)cc2ccccc12 2273251174 QPYBYQPBLOOACD-LBPRGKRZSA-N 274.795 4.537 30 10 CJEE CC(C)(C1CCCCC1)[C@H](N)C#CC1CCCCC1 2273969523 CJVLFMQVLFXBBV-QGZVFWFLSA-N 261.453 4.504 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H](C)CC(C)C 2274133126 MNYQCYGGKHTCGH-WMZOPIPTSA-N 263.469 4.621 30 10 CJEE N#Cc1cc(F)c(SCC23CCC(CC2)C3)c(F)c1 2274350763 AIHNKWSRODUYHS-UHFFFAOYSA-N 279.355 4.509 30 10 CJEE C=CCCCCCCCC(CC)(CC)OCC(=O)O 2275481469 PXBPFSUYMRRLGN-UHFFFAOYSA-N 270.413 4.563 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)[C@@H](C)CC 2276671236 VCQJEBSMGNWYHX-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@@]1(C)NC[C@@H](CCC)CO1 2278127729 QQCXBDVQQBHCAS-SJORKVTESA-N 269.473 4.879 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cc(C)ccn1 2278156726 PZAYKOFAUUQMHV-QGZVFWFLSA-N 263.425 4.738 30 10 CJEE CCCCCCCCC[C@H](C)NCC(C)(C)OCC 2278235017 MDIDEAYOUALFKC-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 2278245560 MTUZLBUZIJQWNW-CABCVRRESA-N 265.445 4.590 30 10 CJEE CCCCCCCCC[C@@H](C)NCCC[C@H](O)CC 2278247173 ULKXVODTKPGWJO-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1nc(C(F)(F)F)cs1 2278697880 HMQBCVLGGBXTFK-SNVBAGLBSA-N 292.370 4.559 30 10 CJEE O[C@H](CC#CC1CCCCC1)C[C@@H]1CCCCC12CC2 2279604795 CHMSBDNVBRHHRH-ZWKOTPCHSA-N 274.448 4.682 30 10 CJEE C[C@H]1CCC[C@]1(CC=CC#CC(C)(C)C)CNC1CC1 2284077029 OVBHXOZDGOWBSW-QFBILLFUSA-N 273.464 4.541 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H]1C[C@]1(C)COC 2284684426 WYZASICTOLCAFX-FGTMMUONSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)C[C@H]2CO[C@H]1C2 2286246457 ZDVFTVOFFYVPRT-OKZBNKHCSA-N 281.484 4.804 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CCC[C@H](OC)C1 2287415536 VIGIBLNHOXNHPX-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CC1(C[C@H](NCCC)C2CC3(CC(F)C3)C2)CCC1 2287841769 VLKVJYJECNZIHK-HVEGKCCWSA-N 279.443 4.629 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1NC[C@@H](C2CC2)CS1 2287886999 XBASVMVHTBMWIZ-GDBMZVCRSA-N 296.524 4.558 30 10 CJEE CCCCCCCCCC[C@H](NC)C12COCC(C1)C2 2288796523 KKCUZWBRQHXNIZ-ADKAHSJRSA-N 281.484 4.532 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1scc(C)c1C 2289865596 LGJJIFPDNFVROD-KRWDZBQOSA-N 289.488 4.989 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C=O)CCOC(C)(C)C2)C1 2290054853 NNZWLVFEZQNOAE-JTTJXQCZSA-N 280.452 4.613 30 10 CJEE C=C(c1ccccc1)[C@H](CCC1CC(C)C1)NCCC 2290391930 YAZQPDMYFFRRQU-KVWWFHCMSA-N 271.448 4.894 30 10 CJEE CCCCCCC[C@](C)(CCCC(F)F)OCC(=O)O 2291254770 PSIRMRFPUNWPEY-OAHLLOKOSA-N 294.382 4.642 30 10 CJEE C=CCCCCCC[C@H](OCCC(=O)O)c1cccs1 2291671941 SWQIZCAZJYROEG-AWEZNQCLSA-N 296.432 4.807 30 10 CJEE CCCCCC#CC[C@H](OCCCN)[C@@H](CC)CCC 2292843207 MLYHYGUNAKQQCB-ROUUACIJSA-N 281.484 4.521 30 10 CJEE C=CCCCCC[C@](C)(C[C@H](C)C(F)F)OCCCN 2292907740 FBYIMPDTBGATSW-GOEBONIOSA-N 291.426 4.538 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H]1CCC1(C)C 2292995582 ZQWADLVERRKKHF-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@H](OCCCN)C(C)(C)C1CCCC1 2293269889 WNHBWRXTVWIFRX-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=CC1(C[C@@H](OCCCN)c2csc(C)c2C)CCC1 2293514827 RMIVYGOTCQWMIN-MRXNPFEDSA-N 293.476 4.518 30 10 CJEE CCCCCCC[C@@](C)(OCCN)c1cccc(Cl)c1 2293600961 PHDAMHXLHCOQGF-QGZVFWFLSA-N 297.870 4.891 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)C[C@H](C)CC 2295536252 LVJKRPPJNSHRJP-QZTJIDSGSA-N 284.532 4.822 30 10 CJEE C=CCC(CC=C)Nc1ccc(Br)c(C)c1C 2301047887 GENZSLVNCUWZBK-UHFFFAOYSA-N 294.236 4.999 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC1(F)CCC1)NCC 2321098291 IPWNVXUYGWUYPB-HUUCEWRRSA-N 255.421 4.629 30 10 CJEE CCC(C)(C)[C@H](C)N(C)C[C@@](C)(CS)C(C)(C)C 2327278671 NDTWVHVWYROJDG-BBRMVZONSA-N 273.530 4.725 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2327376444 SNDFTUDAKPVNBU-ZDUSSCGKSA-N 290.209 4.995 30 10 CJEE CN(CCCCCCCCCS)[C@@H]1C[C@@H]2CC[C@H]1C2 2333355471 GNGNRRAUFAFOTM-IXDOHACOSA-N 283.525 4.767 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@](C)(CC)CC[C@H]1NC 2335099217 UBRWDJFBZGALCL-BRWVUGGUSA-N 281.509 4.797 30 10 CJEE N#CC1(Cc2cc(F)ccc2C(F)F)CCCCC1 2338026702 GLOUFLKAUFFXOX-UHFFFAOYSA-N 267.294 4.780 30 10 CJEE C=CCC(CC=C)N(C)CC1(C(F)(F)F)CCCC1 2338713331 TZRDZMUVMKSNDT-UHFFFAOYSA-N 275.358 4.562 30 10 CJEE Cc1c(F)ccc(C[C@]2(C#N)CCS[C@@H](C)C2)c1Cl 2339207803 SVRMNTDEGWPIKP-BONVTDFDSA-N 297.826 4.756 30 10 CJEE O=C[C@@]1(C[C@H]2C[C@H]3C=C[C@H]2CCC3)CCCC12CC2 2339279685 UESZIOMHORIBME-KONPQCLYSA-N 258.405 4.518 30 10 CJEE CC#CCCCC[C@H](CCCCC1CC1)NCCC 2341406458 CJTXRNKXYBGSEP-GOSISDBHSA-N 263.469 4.909 30 10 CJEE C=C[C@@](N)(C[C@@H]1CCC(C)=C(C)C1)c1ccccc1 2343399227 HTUBUISVSXNWTE-SJLPKXTDSA-N 255.405 4.553 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 2343422042 BZDXROIUGNIBOX-JLLWLGSASA-N 296.197 4.606 30 10 CJEE CCCC#CC[C@H](NCC)c1cccc(C(C)C)c1 2343603367 JRLNDFIDQYCWAH-SFHVURJKSA-N 257.421 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC 2344335780 CNSYWGSHRJYFRT-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2cccc(Cl)c2o1 2344375148 MDPXSLUESANATO-XHDPSFHLSA-N 277.795 4.949 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)C12CC(CC(C)C)(C1)C2 2344838210 RXLNYPPHOIREHD-FAEJEUNOSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@@](C)(S[C@@H]1C[C@@H]2C[C@@H]2C1)C(=O)O 2351991458 QGTLBAVHXRGOMR-ORIJERBGSA-N 284.465 4.722 30 10 CJEE CSc1cc(N[C@@H]2CCCCC2(C)C)ccc1C#N 2353835234 RKXTZKDOAPDPBY-OAHLLOKOSA-N 274.433 4.661 30 10 CJEE O=C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CC2 2355392088 LOIDYCDABROCQY-FQLMCAECSA-N 282.374 4.597 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2358322482 QYGSVLKHEVXOCS-FPCVCCKLSA-N 285.422 4.912 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1C[C@@H]1C)OCCCN 2360039006 ZCADHXDHCHOFSV-KSZLIROESA-N 283.500 4.907 30 10 CJEE N#Cc1cccc(Nc2c3c(nc4ccccc24)CCCC3)c1 429749 XHQUMJLPQUTNMD-UHFFFAOYSA-N 299.377 4.729 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(OCC#N)c1 37069512 JTOIFOJNISGIKF-IRXDYDNUSA-N 286.419 4.606 30 10 CJEE Cc1cc([C@H](C)Nc2cc(C#N)cc(F)c2C)c(C)s1 37089069 VCYXQKZNPZGVBU-NSHDSACASA-N 288.391 4.857 30 10 CJEE C=C(C)[C@@H](C)N(Sc1ccccc1)C(=O)OC(C)(C)C 39003415 XMXNSHVPTGDZGY-CYBMUJFWSA-N 293.432 4.895 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C)c2ccc(Cl)s2)c1 51579794 SDXKGTRVETXEJR-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CC[C@H](CC#N)N[C@@H](C)c1sc2ccccc2c1C 54183736 AYYYNRVKAUUBNL-QWHCGFSZSA-N 272.417 4.553 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(F)c(F)c1 59290936 AIXDFQXEKJIGPX-INIZCTEOSA-N 269.379 4.976 30 10 CJEE CCOc1ccc(-c2nc(C(C)C)c(CS)s2)cc1 82431175 XJVYBJJLULMTOT-UHFFFAOYSA-N 293.457 4.762 30 10 CJEE CC(C)(C)c1nc(C2CCCCC2)sc1CC#N 82440248 QXJUILMTNUSGLV-UHFFFAOYSA-N 262.422 4.554 30 10 CJEE COc1ccc(Cl)c(C(=O)/C=C/c2sccc2C)c1 83205379 RGMVGIIYWUAITP-AATRIKPKSA-N 292.787 4.615 30 10 CJEE CC(C)(C)C1CC(C#N)(c2ccc(OC(F)F)cc2)C1 86559205 LGMZNMQHSUKHHD-UHFFFAOYSA-N 279.330 4.505 30 10 CJEE Cc1cc(OCCCC(C)(C)C#N)ccc1C(C)C 87608922 PBGRWEMXTHDDSJ-UHFFFAOYSA-N 259.393 4.827 30 10 CJEE CCCC[C@@H](CC)C[C@](C#N)(C(C)=O)c1ccccc1 91327430 GCWRWNGSBHNAEY-AEFFLSMTSA-N 271.404 4.643 30 10 CJEE C=CCc1ccccc1OC[C@H](CS)c1ccccc1 94584835 QRJPRETVQGIHLF-QGZVFWFLSA-N 284.424 4.508 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C(F)(F)F)ccc1F 94595029 ABQKQZNFIJYGIO-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE C=C(CC)COc1ccc(CNC(C)(C)C)cc1Cl 97191454 MRWNDUMGVNJIJV-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(OCCCC)cc1 97390163 FONCUMTYDSPAEF-LJQANCHMSA-N 287.447 4.710 30 10 CJEE O=C(/C=C\Oc1ccc2ccccc2c1)c1ccc(F)cc1 97399304 WNBYDILTVWHURU-QXMHVHEDSA-N 292.309 4.754 30 10 CJEE FC(F)C(F)(F)COCCCCCCCCCS 97799728 GNGDVLDDIODQFT-UHFFFAOYSA-N 290.366 4.564 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C=O 102034634 VBUYLLJMCZSUKY-UHFFFAOYSA-N 254.757 4.502 30 10 CJEE CCc1cccc(Nc2cc(Cl)ccc2C#N)c1 104004154 BMMMPDJOXQHAMI-UHFFFAOYSA-N 256.736 4.518 30 10 CJEE CCCCCCCOc1ccc(C[C@@H](C)N)cc1Cl 109765282 VDUMSRIKVMCOHW-CYBMUJFWSA-N 283.843 4.579 30 10 CJEE CCCCCCCCO[C@@H](c1ccc(F)cc1)[C@@H](N)CC 109988869 ZJGIFGYXJRRXKC-ROUUACIJSA-N 295.442 4.981 30 10 CJEE CCCCCCCCO[C@H]1CCCc2ccccc2[C@@H]1O 110023411 MHGTXAOOUMZCBT-OALUTQOASA-N 290.447 4.802 30 10 CJEE CCCCCCCO[C@@H](CNC1CC1)c1cccc(F)c1 110067830 MVAKUQOCGYGDGP-SFHVURJKSA-N 293.426 4.606 30 10 CJEE CCCCCCCO[C@@H]1Cc2ccccc2[C@H]1NCCC 110081285 OGZILKYQVPJSQD-RTBURBONSA-N 289.463 4.639 30 10 CJEE CCCCCCCO[C@H](CC)[C@@H](CCC)NCCC 110081298 ARSNYOUBZKATOV-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE Cc1ccc(Nc2cc(C)ccc2C#N)c(Cl)c1 110253662 UEZVEYDYHYADAF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1C#N 110256554 GGYZFTONDKDCHJ-RISCZKNCSA-N 296.336 4.592 30 10 CJEE CCCCCCCCCCNCc1ccsc1 113014202 IGBLTHSUBVBEJY-UHFFFAOYSA-N 253.455 4.978 30 10 CJEE CCCCCCCCC[C@@]1(O)CCc2ccccc21 114871340 CHNPKDKQODAYES-GOSISDBHSA-N 260.421 4.961 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCCO1 114993757 ZOUGRJSKQKHFLT-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCC(=O)C(C)(C)N1CCCCCC1 118148909 ULXSJOAINJRJKN-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@]1(C)CCCO1 123599487 VADAJKJVHHPBJJ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCNCc1cc(C)c(F)c(C)c1 126154973 HZHHWTZEIZCJSL-UHFFFAOYSA-N 265.416 4.893 30 10 CJEE CCC1CCC(C#N)([C@@](O)(CC)c2ccccc2F)CC1 128824858 ZQMJJFXIDUQQGD-IUPXNIOVSA-N 289.394 4.533 30 10 CJEE CCCCCCCCCCNc1nc2ccc(N)cc2o1 129213298 OPRCSHGKSZPLQB-UHFFFAOYSA-N 289.423 4.963 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1Cc2ccccc2S1 135385689 ATEBQMCVKJNBGJ-WBVHZDCISA-N 278.461 4.815 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1CCCc2sccc21 139574351 JCKGLQFJSCEVCF-HIFRSBDPSA-N 265.466 4.856 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2cccc(C)c2Cl)cc1C 160346917 UNEQYUHIQDLDKT-MRXNPFEDSA-N 297.785 4.755 30 10 CJEE N#C[C@H](C(=O)CC1CCCCCC1)c1ccc(Cl)cc1 162026232 ADFLVCWPTUMXMB-INIZCTEOSA-N 289.806 4.877 30 10 CJEE C=CCN(CCC)c1cc(C)c(F)cc1[C@H](C)NCCC 162257807 PNXPYXSAVWGUHG-HNNXBMFYSA-N 292.442 4.597 30 10 CJEE C=C(C)CC[C@@H](Cc1c(Cl)cccc1Cl)NCC 164544886 CPVFUKAZWAKGAF-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE C=CCC[C@@H](NCCC)c1cc2ccccc2s1 167817821 RSZXLPVZLRMOLI-CQSZACIVSA-N 259.418 4.908 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 184888833 ICZAWYRXKSTJNB-HNNXBMFYSA-N 279.383 4.894 30 10 CJEE O=C(/C=C\Oc1cccc2ccccc12)c1ccc(F)cc1 210072969 ICEUVCIWBOFLQK-SEYXRHQNSA-N 292.309 4.754 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 212175573 SXTPRVLWPFGDNC-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CC(C)[C@H]1CCCC[C@@]1(C#N)Nc1ccccc1Cl 214686978 YJYBRNZTPTVAKM-CJNGLKHVSA-N 276.811 4.860 30 10 CJEE CCCCCCCCCNN1[C@H](C)CCC[C@H]1C 214878861 KQORCROSWAECBH-HZPDHXFCSA-N 254.462 4.505 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(N(C)C)CCC[C@@H](C)C1 217538318 MBCKSOBDBBACGI-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCN([C@H](C)CC)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 217943311 MIVWKQNHLBQNTG-XMTFNYHQSA-N 278.484 4.996 30 10 CJEE C=CCCC[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNCC 219615539 VMKQQNOWMZYUDV-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE CCCC[C@H](CCC)Nc1ccc(C#N)c(Cl)c1 226033343 YVIAEXSJYAILCY-ZDUSSCGKSA-N 264.800 4.982 30 10 CJEE C=CCC[C@H](C)Nc1c(Cl)cc(C)c2ncccc12 228818736 GVMNHOHFOWIPNV-LBPRGKRZSA-N 274.795 4.963 30 10 CJEE C=CCC[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)(C)C 228822820 USGCVKFMZKAYFQ-CZUORRHYSA-N 263.400 4.857 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)ccc2F)C1 228876988 WAPPOIMPHJZAHZ-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NCC)c2cc(F)ccc2O1 229155803 MDADIOIRAMFWJU-NVXWUHKLSA-N 293.426 4.988 30 10 CJEE CCCCCCCCC[C@H](O)C1(O)CCCCCC1 232930476 YZVCWKFPDVBHTI-INIZCTEOSA-N 270.457 4.573 30 10 CJEE C=CCCCCC[C@H](NC)C1(c2ccccc2)CCC1 234421153 WHXIFMKDVDMQSV-SFHVURJKSA-N 271.448 4.833 30 10 CJEE Cc1ccc(Sc2nc3ccccc3s2)c(C#N)c1 236003172 VCCGRRHKWQSLAT-UHFFFAOYSA-N 282.393 4.628 30 10 CJEE CC(C)CCN(C1CCCC1)[C@H]1CCCCC[C@H]1C#N 250593987 MKNSEXCEDXIAHY-WMZOPIPTSA-N 276.468 4.750 30 10 CJEE CCCCCCCC[C@]1(N)C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 250803169 DRBZMORDIBFUNN-FPSMNIFISA-N 263.469 4.891 30 10 CJEE N#CCCCc1ccc(SC2CC2)c(Br)c1 260599044 NMEFSAUINZGFAX-UHFFFAOYSA-N 296.233 4.550 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 300514652 AUPRSRNBXWAJGQ-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CC(C)(C)C#CCC(=O)C1CCC(C(C)(C)C)CC1 302282423 VDQDVHJFJUQSCQ-UHFFFAOYSA-N 262.437 4.848 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cc(F)ccc1Cl 310777960 QLUCYSPLEKQJRJ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1ccc(C(C)C)cc1 311376246 LFDNYFPCDCOJGV-QGZVFWFLSA-N 257.421 4.510 30 10 CJEE CC(C)(C)c1ccccc1Oc1nc(Cl)c(C#N)s1 312077823 RCYACFOXMHJCOL-UHFFFAOYSA-N 292.791 4.758 30 10 CJEE Cc1cc2ccccc2nc1C1(C#N)CCCCCC1 312433269 MCWKSALLQHJLIH-UHFFFAOYSA-N 264.372 4.659 30 10 CJEE CC[C@H](Nc1ccc(CC#N)cc1)c1cccc(C)c1 312482292 UKFBYSOYGRKVGQ-SFHVURJKSA-N 264.372 4.624 30 10 CJEE CCCCCCCCCCC[C@@H](CCCCOC)NN 312851706 XWKZGYSLPCCEJE-KRWDZBQOSA-N 286.504 4.556 30 10 CJEE C=CCCCCC[C@@]1(CNC)CCc2ccccc2C1 317054849 QGJNAXLKNPPSNF-LJQANCHMSA-N 271.448 4.518 30 10 CJEE C=CCCCC1(CNCC(C)C)CCC(C)CC1 317854171 AKAHENVMQKRYPE-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)CSc1cccc(C)c1 383633613 ZIIFMDOFCBSRIH-MRXNPFEDSA-N 289.488 4.505 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1sccc1Br 384828959 GNOOJLNFDMHWMU-MFKMUULPSA-N 298.249 4.773 30 10 CJEE CC[C@@](C)(C#N)c1cc(F)c(Cl)c(Cl)c1Cl 390250775 KRDKOCWPHSAXQE-NSHDSACASA-N 280.557 4.977 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1C#N 403559132 UUWKYLXLSDCTJR-HZSPNIEDSA-N 286.444 4.518 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCCCC[C@H]1NCCC 403868989 SKIMDOYLCBOAIM-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(F)(F)F 476160177 SGIRCFMNQRWTHY-LLVKDONJSA-N 299.336 4.675 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2nccs2)C1 651693859 GTNPDFJKBIAUEX-PVAVHDDUSA-N 298.455 4.567 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)O[C@H]1C 686464184 LSWXRYRDRUCJNL-FJIDUMEYSA-N 283.500 4.919 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCCCCCO)C1 688308934 QMJHILPZPLKGFJ-UHFFFAOYSA-N 265.441 4.675 30 10 CJEE CCCCCCCCCN[C@H]1CC[C@@H](C)SC1 689608989 HSZILKXIJYXIHP-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)C(F)(F)CC)NN 691033058 HKONEQUELUKBDN-ZDUSSCGKSA-N 278.431 4.640 30 10 CJEE C=C(C)CNc1ccc(OCc2ccccc2)cc1C 691048799 LLTDTHGBMSWIPV-UHFFFAOYSA-N 267.372 4.562 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1CC2CCC1CC2 692222863 VEPCZXCDMBDEAA-ILEACXBISA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C)c1ccccn1 692658465 YUTBFQVNNSUTGC-HZPDHXFCSA-N 262.441 4.524 30 10 CJEE CCCc1ccccc1OCCCCCCS 699537317 MVYBJUCMADSZPT-UHFFFAOYSA-N 252.423 4.508 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1CCCN1C 703934519 ODKBIQUEGIAUSW-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C[C@H]1CCC[C@H](N(C)c2ccc(Cl)cc2C#N)CC1 704532558 YLXQMRRHQBKNCF-WFASDCNBSA-N 276.811 4.617 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc2ccncc12 705669984 UFXVTBCRFCMOEU-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCC[C@H](Cc1sc(C)nc1C)NCC 707912918 NBFXNIARWJRTMV-OAHLLOKOSA-N 282.497 4.641 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@]1(C)CC[C@@H](C)C1(C)C 710674374 HIFCKDSTVZVFOY-ZLDLUXBVSA-N 257.849 4.570 30 10 CJEE CCC1(/N=C2/NC3(CCCCCCC3)CS2)CCCC1 713257302 NQFJCJLZBUGSED-UHFFFAOYSA-N 294.508 4.885 30 10 CJEE CCC[C@H](/N=C1/NC2(CCCCCC2)CS1)C1CCC1 713262289 IPLFNVUSSHUHLM-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CC(C)C(C)(C)C[C@]1(C=O)CCCc2ccccc21 713371500 PRPCORFXJXGFOM-SFHVURJKSA-N 258.405 4.532 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CC[C@@H]2CCCC[C@H]21 714276208 NPPUMETWPFHEEG-HWWQOWPSSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)Nc1ccccc1Cc1ccccc1 715040823 TZSZYLYNNVMCDO-OAHLLOKOSA-N 251.373 4.654 30 10 CJEE CC(C)C(C)(C)CSC[C@@H](C#N)c1ccccc1 718828030 UWWUDQNNDPKJFR-OAHLLOKOSA-N 261.434 4.709 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCCCCC2(C)C)cc1 719199473 UQRSDUZKEGDGDH-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE Cc1cccc(N[C@]2(C#N)CC[C@H]3CCCC[C@@H]3C2)c1 723612024 ZMBADJZNKHOMHH-JFIYKMOQSA-N 268.404 4.660 30 10 CJEE CCSc1cccc(N2CC[C@H](C)C[C@H](C)C2)c1C#N 723837320 GERQHXPLNAXASJ-KBPBESRZSA-N 288.460 4.543 30 10 CJEE C=C1CCC(COc2ccc(Cl)cc2[C@@H](C)NC)CC1 724555593 HHHIRLHQUUHYMM-CYBMUJFWSA-N 293.838 4.746 30 10 CJEE C=C1CCC(C[C@H](O)c2cc(C)c(F)c(C)c2)CC1 724590572 XQKFGCJKYUMDLI-INIZCTEOSA-N 262.368 4.612 30 10 CJEE CCCCC[C@H](C)/N=C1/N[C@@H](C2CCCC2)CCS1 725064074 PDESNPAHXUHSMT-DZGCQCFKSA-N 282.497 4.597 30 10 CJEE C=CCCC[C@@H](C(=O)Nc1ccsc1)c1ccccc1 1126413831 SJSQIGQNNCUYPX-MRXNPFEDSA-N 285.412 4.827 30 10 CJEE C=C(C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 1129869443 USHMJMNFWMEQAD-ZWKOTPCHSA-N 285.431 4.528 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1 1130603019 KPEDUXFKUAFFDN-OKZBNKHCSA-N 299.458 4.677 30 10 CJEE CCCCCCCN(C)[C@@H](C)Cc1ccc(OC)cc1 1167290747 CREOLTCPBUDMKF-INIZCTEOSA-N 277.452 4.528 30 10 CJEE C=C(CC)CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)C 1168466159 LJWBSRKVTPKJCS-OAHLLOKOSA-N 285.353 4.958 30 10 CJEE C#CCCCCCCN1CC[C@H](c2ccccc2)C1(C)C 1171279937 XFADTCGOXUMCJP-LJQANCHMSA-N 283.459 4.838 30 10 CJEE C=CCCCCN1CCC[C@@H](c2ccccc2OC)CC1 1175622802 TYFRZVRKHUHYQS-QGZVFWFLSA-N 287.447 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCCC1(C#N)CCC1 1196058008 VAUUWJRYKXNEDF-SJORKVTESA-N 274.452 4.575 30 10 CJEE C=CCC[C@@H]1CCCN1CCCOc1cccc(Cl)c1 1198407697 ZFVXQYVZHMKEIX-MRXNPFEDSA-N 293.838 4.540 30 10 CJEE C=CCN(C(=O)NCC1CCC(CCCC)CC1)C(C)C 1224703806 ULXSLUSSOLBHGX-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CC1(CC(=O)N2C[C@@H](C)CCC[C@@H]2C)CCCCC1 1265248652 DSAGPFJJVQMRKM-HOTGVXAUSA-N 277.452 4.550 30 10 CJEE C=CCC1(C(=O)Nc2cccc3cc[nH]c23)CCCCC1 1269939353 LXNANZOAXBDZBQ-UHFFFAOYSA-N 282.387 4.633 30 10 CJEE C#CCCCCCCNC(c1ccccc1)c1ccccc1 1307533255 TVCKTDNHZZLTQW-UHFFFAOYSA-N 291.438 4.949 30 10 CJEE C=CCOc1ccc(CN[C@@H](CCC)[C@@H]2CC2(C)C)cc1 1308758743 WBRMAWSMAQEFAP-ROUUACIJSA-N 287.447 4.556 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccccc1)C(CC)CC 1354815493 WJYWEWVGSWCSMC-SFHVURJKSA-N 273.420 4.636 30 10 CJEE C=CCC1(C(=O)NCC2(CC)CCCC2)CCCCC1 1435556784 LHKAFIDAJRUAHM-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C#Cc1cccc(CN[C@@H](CC)CC2CCCCC2)c1 1462346867 GLKYIPDMQYFGAR-IBGZPJMESA-N 269.432 4.507 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 1462428748 YIVHMAPKMJBGAJ-GFIVTLFCSA-N 269.432 4.563 30 10 CJEE C=CCCC[C@H](C)NCc1cccc(CC2CCC2)c1 1474086114 LAYIIENAYNYTSI-INIZCTEOSA-N 271.448 4.864 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc2oc3ccccc3c2c1 1475825200 VWSZCPBYYABCGA-UHFFFAOYSA-N 294.354 4.674 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC12CCCCC2 1478295888 CGGUFKHVRKIIPQ-JKSUJKDBSA-N 292.467 4.533 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](CC)CCC)c1ccccc1 1519376461 VFCIRCZFFLVWPA-NVXWUHKLSA-N 273.420 4.636 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 1524299636 VSBOBBJLHTUIFE-QGZVFWFLSA-N 299.458 4.809 30 10 CJEE CC#CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 1531301798 VRAVNKLDYNVBQX-HXUWFJFHSA-N 299.458 4.817 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](CCC)c1ccc(F)cc1F 1545767458 XCXDBBZMHYCURW-MRXNPFEDSA-N 295.373 4.525 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@H](CC)CC2CCCCC2)C1 1557407004 IHKKKYSBYOPZNS-QZTJIDSGSA-N 291.479 4.798 30 10 CJEE C=CCCC1(CNCc2cccc(Cl)c2O)CCCC1 1560928854 FYEYMRKXJXYUQQ-UHFFFAOYSA-N 293.838 4.662 30 10 CJEE C=C(C)c1cccc(Nc2nc3cccc(C)c3o2)c1 1613036295 ICKWKDDWHSTFBT-UHFFFAOYSA-N 264.328 4.913 30 10 CJEE Cc1cc(C#Cc2ccc(Cl)cc2Cl)ccc1F 1614731482 ZTZQZJJVHIJECU-UHFFFAOYSA-N 279.141 4.841 30 10 CJEE C=CCCCN(CC)C(=O)/C=C(\C)c1ccccc1Cl 1618469856 ISTDHYSAVOEOAO-BUHFOSPRSA-N 291.822 4.558 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC[C@H](C(C)C)C1 1635932954 SINKDYVFDKBGHZ-KRWDZBQOSA-N 294.483 4.591 30 10 CJEE C=C(C)c1cccc(Nc2cc(C)c([N+](=O)[O-])cc2F)c1 1640502323 AGGVFGKHIBJPBN-UHFFFAOYSA-N 286.306 4.819 30 10 CJEE C#CCCCCCCN(CC)[C@@H](C)c1ccc(F)cc1 1641564897 HEXDESRVOJESDB-INIZCTEOSA-N 275.411 4.792 30 10 CJEE C=C[C@@H](C(=O)N1CC[C@]1(C)C1CCCCC1)c1ccccc1 1643358049 MXZKWCLKNLLRQF-UYAOXDASSA-N 297.442 4.528 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nc2c(F)cccc2o1 1651237623 RUWROHTXWFVBQF-DGCLKSJQSA-N 274.339 4.514 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cc(Cl)cnc2OC(C)C)C1 1652463259 VPJUZUYRBKAWJF-OCCSQVGLSA-N 294.826 4.679 30 10 CJEE C=CCC[C@H](CC)N[C@H]1CCCc2c(C)cccc21 1658617824 BJQFINZYRJXQLL-YJBOKZPZSA-N 257.421 4.707 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCOC12CCCCC2 1658998771 UPYONCVBJLNZSL-DLBZAZTESA-N 281.484 4.817 30 10 CJEE C=CCCC1(CNCc2cc3ccccc3[nH]2)CCCC1 1662863000 RGTQRVYJBAUSSV-UHFFFAOYSA-N 282.431 4.784 30 10 CJEE C#CC[C@H]1CCCN(Cc2ccc(C3CC3)c(C3CC3)c2)C1 1665077319 YUHGGAAITWNTQQ-INIZCTEOSA-N 293.454 4.677 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC(C)(C)CC(C)C)c1 1673600521 LFGHQIRSTQIKJL-UHFFFAOYSA-N 288.435 4.914 30 10 CJEE C=CCCCCCCNC(=O)Nc1cccc(SC)c1 1772560853 DGXCGUODLHLUOL-UHFFFAOYSA-N 292.448 4.667 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1 1878388580 OWEPOEHEBXTKON-CYBMUJFWSA-N 258.409 4.724 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](COC)CC(C)C 1879012101 XVZZZQKZSIPPTB-DLBZAZTESA-N 272.473 4.797 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1CC(C)=C[C@@H](C)C1 1879651357 RYRJXWVPXAFOKB-NJAFHUGGSA-N 261.453 4.541 30 10 CJEE 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296.524 4.749 30 10 CJEE CCCCCCCCCOCCNCCc1ccsc1 2239488921 DPBHPZNXXINKTB-UHFFFAOYSA-N 297.508 4.647 30 10 CJEE C=CC[C@@H](CCCOC1CCCCC1)CN[C@H](C)CC 2240098693 ZFWWIMGUHRDEKP-SJORKVTESA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1OC[C@@H]2CCC[C@H]21 2240667586 XYORJFDSKLCQBX-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CC(C)CCC[C@@H](C)CCB1OC(C)(C)C(C)(C)O1 2242074261 WXGKFNRKCUXMEK-CQSZACIVSA-N 268.250 4.931 30 10 CJEE N#CCCCCCSC[C@@H]1CCCCC1(F)F 2248080460 HERVFGBOXYEWOL-LBPRGKRZSA-N 261.381 4.629 30 10 CJEE C=CCCCCCCCCNCCCSC(F)F 2253455129 AHLOGOIHFLGJSF-UHFFFAOYSA-N 279.440 4.839 30 10 CJEE C=C(C)CCCC[C@@]1(CNC)CCCC(F)(F)C1 2259231267 HEJKFJVIIKFUIG-CQSZACIVSA-N 259.384 4.538 30 10 CJEE C=CC1(C[C@@]2(O)CC(C)(C)CCC2(C)C)CCC1 2261386838 SOLZIBTYXFRVPD-KRWDZBQOSA-N 250.426 4.700 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@H]1CCC[C@@H]1F 2263674345 VJCSJHUUTDJMEP-JYJNAYRXSA-N 257.437 4.983 30 10 CJEE CC(C)=CCC[C@H](C)Nc1cc(C)c(C#N)c(C)c1 2265855290 ARTTWKJYHCPNQH-HNNXBMFYSA-N 256.393 4.722 30 10 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255.405 4.541 30 10 CJEE C[C@@H]1C[C@@H]1CCCCNc1cc(Cl)c(C#N)cc1F 2341419247 KFBIDHWYQPEFQX-MNOVXSKESA-N 280.774 4.589 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccnc1C(C)C 2342156998 JLZKESMRGHABOM-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE C=C(CC)C[C@H](O)[C@@H](c1ccccc1)C1CCCC1 2342360379 LVXLTQQVALYHQW-ROUUACIJSA-N 258.405 4.678 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccc(C)cc1SC 2342384440 VKFAMUMRQPRBPT-MRXNPFEDSA-N 275.461 4.561 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@]12CCCC[C@@H]1CC2)NC 2344359179 XODMQUMCVRCBHW-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1CCC[C@H]1C(F)(F)F 2344422247 XCOJPHUCIDMVCF-SCRDCRAPSA-N 276.342 4.917 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C(C)C)ccn1 2352782234 AHGFYSGCOYGOEW-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CCC1)OCCN 2360110407 CPQLXXMNHBWZIM-SQNIBIBYSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCC[C@H](CO)C1 2360174451 WEMJEVPRJBGNAY-FGTMMUONSA-N 283.500 4.656 30 10 CJEE C=CCC(CC=C)Nc1ccc([C@H](F)C(F)(F)F)cn1 2360204336 CNTSMNCGLPQXBU-ZDUSSCGKSA-N 288.288 4.587 30 10 CJEE CSc1sc(-c2ccon2)c(-c2ccccc2)c1C#N 149599 QOVCADQGWCXZHC-UHFFFAOYSA-N 298.392 4.664 30 10 CJEE Cc1ccc2[nH]c(-c3ccc(Cl)cc3)c(C#N)c2c1 19724754 MUBTWIQEORTFDW-UHFFFAOYSA-N 266.731 4.668 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2cccc(C#N)c2)cc1 21506639 ZJJGBCJDMYSZPB-CQSZACIVSA-N 264.372 4.855 30 10 CJEE N#Cc1nc(/C=C\c2cccs2)oc1NC1CCCCC1 33248456 AASMWTYPAPBPKA-HJWRWDBZSA-N 299.399 4.523 30 10 CJEE O=C1/C(=C/c2ccccc2F)CCc2c1[nH]c1ccccc21 34255001 FBONEHQFIXLBDZ-ACCUITESSA-N 291.325 4.520 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154045 RSEFWECIHOGWSZ-MISXGVKJSA-N 265.809 4.760 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1ccccc1Cl 37154811 ZCPRQCGBOGAETE-WCQYABFASA-N 265.809 4.905 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F 37393227 RTCMMIAUZWZTCP-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1ccc(C)c(OCC[C@@H](C#N)c2cc(C)ccc2C)c1 57695436 DHBJWBIHSJHJPB-SFHVURJKSA-N 293.410 4.997 30 10 CJEE COc1ccc(Cl)cc1[C@@H]1CCCC[C@@H]1CC#N 62661272 IHKVBSDVAGWWPA-DGCLKSJQSA-N 263.768 4.536 30 10 CJEE CC[C@@H](Nc1nc2ccccc2cc1C#N)c1cccs1 71385868 CMZCQHYJUWMFOB-CQSZACIVSA-N 293.395 4.731 30 10 CJEE CCC[C@@H]1CCCN(c2cccc(Cl)c2C#N)CC1 79343591 CHCJRLZAODKBNH-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE Cc1ccc(C2(C#N)CC3(CCCCCC3)C2)cc1 86543314 HNFRDJGVROSAOM-UHFFFAOYSA-N 253.389 4.891 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2c(F)cccc2Cl)CC1 91881299 OBYIEVMHLIKVIZ-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE CCC(CC)N(CC(C)C)C[C@H](CS)C(C)(C)C 94582111 MTADXEUXCSYDHN-CQSZACIVSA-N 273.530 4.725 30 10 CJEE Cc1ccc(Cl)cc1OC[C@@H](CS)c1ccccc1 94585986 QRJWHSVODFMTKY-AWEZNQCLSA-N 292.831 4.741 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981778 AVFIOORYXWLSGR-LRDDRELGSA-N 276.449 4.703 30 10 CJEE CCCCCCC[C@@](C)(C#N)NC1CCCCCC1 103969090 JQZPLIAXXSBYRO-KRWDZBQOSA-N 264.457 4.942 30 10 CJEE CCCCCCCCCCCC(=O)N(C)C[C@H](C)C#N 109476368 SVQMXYVVSHZRDE-MRXNPFEDSA-N 280.456 4.525 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)Cc1ccccc1OC 109910250 PFBSZZGZKDMXIN-SJORKVTESA-N 291.479 4.965 30 10 CJEE CCCCCCCCCCCCn1cc([C@@H](C)O)cn1 110267927 UYRFEIHALFFXIY-MRXNPFEDSA-N 280.456 4.857 30 10 CJEE CCCCCCCCCCOc1ccc(OC)cc1CO 110369460 YJMFJIXQQIWGNL-UHFFFAOYSA-N 294.435 4.707 30 10 CJEE CCc1ccc([C@H](C)Nc2c(F)cc(C#N)cc2F)cc1 111141975 ZIKKTLFBYBVKCI-NSHDSACASA-N 286.325 4.572 30 10 CJEE CCCCCCC[C@@H](O)[C@H]1CCCc2ccccc21 112888438 RAWRSINLLVQUND-ZWKOTPCHSA-N 260.421 4.828 30 10 CJEE CCCCCCCCCCCCN1CCNC[C@@H]1CC 113217836 UJFXGSRSZMJRFC-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCN1C[C@@](C)(C2CC2)NCC[C@@H]1C 114079084 VBXMDVQMEOGLPC-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1CC2(CCCC2)NC[C@H]1CCC 115242912 CPZQYEAWAKRICF-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(C)c(N)c1 115854503 BDNLIWGCUSMXEX-UHFFFAOYSA-N 276.424 4.656 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CN)c1ccccc1C 115862854 BAPIMUKDFIFHPY-RBUKOAKNSA-N 291.479 4.539 30 10 CJEE Cc1cc(Oc2ccc(C#N)c(C)c2)c(C(C)C)cc1N 126369027 IJLFXRJNVIYLQA-UHFFFAOYSA-N 280.371 4.673 30 10 CJEE CCCCCCCC[C@H](CSC1CCCCC1)NN 126638409 IAMQMDPPEFUAJM-OAHLLOKOSA-N 286.529 4.635 30 10 CJEE CCCCCCCOc1cccc(OC)c1[C@H](C)NCC 130124882 IOJFOQAATNBURX-HNNXBMFYSA-N 293.451 4.715 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)c(Cl)c1 133244133 NUCCSWYJUIPCBI-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccccc1O 139584037 QPLHAWYXYRHVGS-OAHLLOKOSA-N 250.382 4.566 30 10 CJEE CCCCCCCCC[C@H](NC)c1cncs1 147577155 RKTKQYFQCGFOSZ-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE CCCCCCCCCCCC[C@@](O)(CN)C(C)C 150060648 VVLBIZVOSLSVIR-QGZVFWFLSA-N 271.489 4.643 30 10 CJEE C=CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 156152358 CLHIOULQUXVOHG-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cc(C)nc(C)c1C#N 156600074 QOEOBHFHJKBTIJ-LBPRGKRZSA-N 280.371 4.876 30 10 CJEE N#CC1(C[C@H]2Cc3ccccc3O2)CCCCCCC1 156745762 OKDHDUTVXCZXOJ-MRXNPFEDSA-N 269.388 4.634 30 10 CJEE CCCCCCC[C@H](NCC)c1ncccc1CC 157615232 PLFOUSCFJSNDCM-INIZCTEOSA-N 262.441 4.655 30 10 CJEE CCCCCCC[C@@H](NC)c1sccc1CC 158082938 VBIRXGSIARYEMY-CQSZACIVSA-N 253.455 4.932 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](CCC)OC 158218480 SPQYDPAICUUGBX-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C[C@H]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 158343313 ZEGCOVNZGJZVEH-RYUDHWBXSA-N 296.336 4.815 30 10 CJEE Cc1cc(C#N)ccc1CS[C@H]1CCC[C@H](C)C1 166000252 UZFAJFWXJFDKGV-LRDDRELGSA-N 259.418 4.679 30 10 CJEE C=C(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 167458498 RZEGKAXBMKFDHB-QMMMGPOBSA-N 278.610 4.874 30 10 CJEE CC#CCC[C@H](NCCC)C1CCC(C(C)C)CC1 168158760 JVNGDDGDKJYXOA-ABHNRTSZSA-N 263.469 4.621 30 10 CJEE CCCCCCCC1(O)[C@H]2CC[C@@H]1Cc1ccccc1C2 168656674 IZZAEWRCICHZEM-YOFSQIOKSA-N 286.459 4.903 30 10 CJEE Cc1cc(C#N)ccc1Oc1cc(Cl)ccc1Cl 203445049 LQIBFRKZXWKUMK-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H]1CCC[C@@H](C)C1 218545274 LWCBDSVBEPJESY-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2cnc3ccccc32)C1 222232604 HUHFUASCMVHHKI-CPUCHLNUSA-N 281.403 4.563 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)C1 230779371 VUVYILPCNFTZOH-WMLDXEAASA-N 274.383 4.736 30 10 CJEE C=CCCCCCSc1cccc(CNC2CC2)c1 232587726 MNYBESJVPUIUBJ-UHFFFAOYSA-N 275.461 4.777 30 10 CJEE CCCCCCCCNc1cccnc1Br 232945173 UNYPGGXTXOSLRX-UHFFFAOYSA-N 285.229 4.617 30 10 CJEE C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2Cl)o1 235613971 GEHJVUXCUHWHQS-GXFFZTMASA-N 286.762 4.540 30 10 CJEE C=CCCCCC[C@H](N)c1cc(Cl)ccc1F 236302609 UPQOUEKFQLSHDO-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE CCCCCCCCCN1C[C@@](C)(C2CC2)NCC[C@H]1C 250836376 VBXMDVQMEOGLPC-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NC[C@H]1C(C)(C)C 250843544 ZEHMZHJXDNKVCB-MSOLQXFVSA-N 296.543 4.691 30 10 CJEE CC(C)[C@@H](C#N)CNc1ccc(-c2ccccc2)cc1 258935658 IERSSXNLVQELBO-KRWDZBQOSA-N 264.372 4.561 30 10 CJEE C[C@@H](C#N)c1cc2ccc(C(F)(F)F)cc2s1 259996107 KNFBOBOOSATFTE-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE C[C@H](CC#N)c1cc2c(Br)cccc2s1 260161554 WHQCLDOISIREAD-MRVPVSSYSA-N 280.190 4.681 30 10 CJEE CC(C)Sc1ccc(C[C@@H](C)C#N)cc1Cl 260855500 NYUUPBVDXFDJJR-SNVBAGLBSA-N 253.798 4.543 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@](=O)CCC(C)C)C1 300445632 JJMVWXZURNBXLP-AXHMDWHKSA-N 297.508 4.526 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H](CC(C)C)C1 307774833 KNYKVYPBBBXXQE-INIZCTEOSA-N 285.541 4.871 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cc(Cl)cc(C#N)c1 310865787 DPKYNMSGAVPXDT-IUODEOHRSA-N 263.768 4.559 30 10 CJEE Cc1ccccc1N[C@H](C#N)[C@H](C)C1CCCCC1 311681245 IUPJLJHBTCUPBY-RHSMWYFYSA-N 256.393 4.516 30 10 CJEE C=CCCCCCCN[C@@H]1CCOC2(CCCCC2)C1 312492389 WIXQVUMMMQDBPC-QGZVFWFLSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCNCc1c(C)oc2ccccc12 312506106 YTENSHXYSNBKAZ-UHFFFAOYSA-N 271.404 4.967 30 10 CJEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(Cl)s1 313427044 MEHSDMXCMSCUKH-JTQLQIEISA-N 276.792 4.641 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC2CCC(C)CC2)C1 317344411 SCFBMVBWCQIJRO-MYBQVCMBSA-N 250.426 4.988 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@@]1(C#N)CCCC[C@H]1C 385023891 OWHKETJHBZHHJY-HZPDHXFCSA-N 265.441 4.530 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2ccsc2Br)C1 389058771 AUMUUPHDHJDVHK-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)COCc1ccccc1 390594662 SBYYOXMUCYCAQH-ZWKOTPCHSA-N 291.479 4.930 30 10 CJEE C=CC[C@@H](CC)N[C@@H](c1ccc(Cl)cc1)C1CC1 393759360 ZETVDPJOFSZOQQ-HZPDHXFCSA-N 263.812 4.735 30 10 CJEE CC1(C)CCC(C#N)([C@H]2C[C@H]2c2ccccc2)CC1 394050397 ZTCGEWBORVEFMQ-HOTGVXAUSA-N 253.389 4.900 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCC[C@@H](CC(C)C)C1 394140271 UIIHPRASXURLKY-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@H](CCOC(C)C)NC 395464884 NKVBZQPWHGYGJK-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE N#CCc1c(C(F)F)ccc2c(Cl)csc12 396188821 KUDBKUHXSRVONR-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CCCCC1(F)F 400495857 FEQSIEYNHHOTDH-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2C=C[C@H]1CC2 402398215 ZQHDBLPGPPWPEB-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE CCCCCCCC(=O)[C@H](C)OCc1ccccc1 404476285 OUHFPXSPWXMDKT-HNNXBMFYSA-N 262.393 4.521 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(Cc1ccsc1)c1ccccc1 466417231 PABUMTPUDSSQBU-OAHLLOKOSA-N 299.439 4.884 30 10 CJEE C#CCCCCCC(=O)c1cccc2ccsc12 686701650 NZRZKQNGTBWXAI-UHFFFAOYSA-N 256.370 4.668 30 10 CJEE C#CCCCCCOc1ccc(-c2nc(C)cs2)cc1 686893233 AINZUPYJXOPBTE-UHFFFAOYSA-N 285.412 4.691 30 10 CJEE C=CCCCC1(CNC)CC(C)(C)CC(C)(C)C1 687956042 ZFJLSIZHVNHCCN-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C#CCCC1(CNCCC)CC(C)(C)CC(C)(C)C1 687985699 AAJWJDNQKCDXEY-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CCCCCCCC[C@H](C[C@]1(C)CC1(F)F)NC 689122014 DLJVATLNGGIGQM-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CC(C)(C)C#CCNc1cccc(-c2ccccc2)c1 689674252 PZFZJIUPRNAZHB-UHFFFAOYSA-N 263.384 4.815 30 10 CJEE C[C@@H](CC1CCCC1)Nc1ccc(Cl)c(C#N)c1 689864631 LHQGQHKDDTUDER-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCC1CCC(C#N)([C@@](C)(O)Cc2cccs2)CC1 690001082 MJPQELWQHYTOIW-WIHSUSGWSA-N 291.460 4.542 30 10 CJEE CCCCCCCCCOc1c(CC)cccc1CO 692089743 DLQMQNTUOCDFDT-UHFFFAOYSA-N 278.436 4.871 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC1CCC(C(F)(F)F)CC1 692234905 MSGAMWWJWMVQJJ-URGYJCLVSA-N 289.385 4.832 30 10 CJEE C=C[C@](C)(CNC(C)C)CC(C)(C)CC(F)(F)F 694066716 LCSHUFUZRVVOEL-ZDUSSCGKSA-N 265.363 4.545 30 10 CJEE C[C@H](CCS)CCN(C)C1CCC(C2CCC2)CC1 695814636 IVPPXBLEHWROSH-OOHWJJMZSA-N 283.525 4.623 30 10 CJEE O=C(C1=CCCCCCC1)c1occc1Br 696520089 MJHAFERKCCQXDA-UHFFFAOYSA-N 283.165 4.505 30 10 CJEE CCCCCCCCCCC1(C2CCOCC2)CNC1 696821942 KZKAGIRGVPIKAD-UHFFFAOYSA-N 281.484 4.533 30 10 CJEE C=CC(C)(C)CCNCc1c(Cl)cccc1Cl 701919864 MYKDCFQXKHDVNF-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CCCCCCCCCC(=O)Cc1cncc(Cl)c1 703706472 JOTILRHAWQYPGE-UHFFFAOYSA-N 281.827 4.987 30 10 CJEE C#C[C@@H](N[C@@H](CCC)c1ccc(Cl)cc1)C(C)(C)C 705329771 CJYHIUSAVVYIDW-JKSUJKDBSA-N 277.839 4.819 30 10 CJEE Cc1ccc(N[C@H](C#N)c2c(F)ccc(F)c2Cl)cc1 705779913 VHHCSOFEKHSQLK-CYBMUJFWSA-N 292.716 4.603 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1CCSC1 708769364 YWRSYUHUDIWOJJ-LSDHHAIUSA-N 257.487 4.598 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccccc1Cl 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GMZJDEMDAIADCH-GOEBONIOSA-N 260.421 4.908 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2cc(F)cc(Cl)c2)C1 2125734633 ALXOFBWYCUOGRM-MRXNPFEDSA-N 281.802 4.876 30 10 CJEE C=C1CC(C[C@@H](CC(C)(C)C(F)(F)F)NCCC)C1 2125740800 XISPSFDETYLLQH-ZDUSSCGKSA-N 277.374 4.690 30 10 CJEE C=C1CC(C[C@@]2(CNC(C)C)CCCC(C)(C)C2)C1 2125740826 CSPQNJFUPBFKDT-SFHVURJKSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCn1ccnc1COCC 2125938058 OIKXIIFMTBOQPP-UHFFFAOYSA-N 266.429 4.560 30 10 CJEE C=C(CC)CC1(CNCC(C)C)CCC(F)(F)CC1 2128478270 ZLCLKATTWQQLEQ-UHFFFAOYSA-N 273.411 4.784 30 10 CJEE C=C1CC(C[C@@H](NCC)C(F)(F)C2CCCCC2)C1 2128805766 WBRRNGNHFHPPBC-OAHLLOKOSA-N 271.395 4.536 30 10 CJEE CC[C@](O)(CCC(C)C)[C@]1(C#N)CCCCC1(C)C 2129458149 WBDZNUKNPBOBSJ-IRXDYDNUSA-N 265.441 4.674 30 10 CJEE CC[C@](C)(CCC=C(C)C)OC(=O)CC1(CS)CC1 2130701366 FIEDBGMLUKZCQN-OAHLLOKOSA-N 284.465 4.545 30 10 CJEE CCCCCCCCCC[C@]1(F)CCN[C@@H]1C1CC1 2131728806 AOPGGZYALVAFEM-SJORKVTESA-N 269.448 4.997 30 10 CJEE C[C@@]1(Nc2cccc(Cl)c2C#N)CCCC(F)(F)C1 2132130477 YIIMAQNIXWMOKM-CYBMUJFWSA-N 284.737 4.592 30 10 CJEE CCCC[C@H](CC)CNc1cc(CC)ccc1C#N 2132318144 QFPYMIAWUGDJBC-HNNXBMFYSA-N 258.409 4.749 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CC12CC(F)(F)C2 2132888938 SGXZVNNKLOWIGZ-ZIAGYGMSSA-N 273.411 4.760 30 10 CJEE CC1(C)CCC[C@](C=O)(CC2(C(C)(F)F)CCC2)C1 2134777242 BTPVSMGEVRPTDF-OAHLLOKOSA-N 272.379 4.988 30 10 CJEE CCCCCC#CCNC[C@]12CCCC[C@@H]1CCC2 2138953707 BRSSARCJFNRCCB-QZTJIDSGSA-N 261.453 4.520 30 10 CJEE C#C[C@@H](N[C@@H](c1cccs1)C(C)C)C1CCCCC1 2138969915 LPXVBBACXDLHMO-NVXWUHKLSA-N 275.461 4.617 30 10 CJEE CCCCCC#CC[C@H](N)c1cscc1C(F)(F)F 2139004296 YSCLOXZUHCQYCE-ZDUSSCGKSA-N 289.366 4.741 30 10 CJEE CCCCCC#CC[C@]1(N)C[C@H](C)CCC1=C(C)C 2139060899 XXGNAQLPSRHDPU-AEFFLSMTSA-N 261.453 4.814 30 10 CJEE C=CCCCCCC[C@H](O)c1c(C)cccc1OC 2141917267 TXDVAPOYVCEKNV-HNNXBMFYSA-N 262.393 4.564 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1C[C@]12CC2(F)F 2142390570 FFVODQPTTYUQHT-ZFWWWQNUSA-N 270.363 4.908 30 10 CJEE C=CCCCCCCCCN1CC[C@H](C(C)(C)F)C1 2142393249 RHYLPVIUWMERHU-INIZCTEOSA-N 269.448 4.973 30 10 CJEE C=CCCCCCCCCn1ccc([C@@H](O)CC)c1 2142432208 QWSBLHIQEMAYNG-KRWDZBQOSA-N 263.425 4.848 30 10 CJEE C=CCCCCCCCCCN[C@H]1C[C@]12CC2(F)F 2142434003 YCTIOTMLLOCIOI-GJZGRUSLSA-N 271.395 4.681 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H](CCC)NC 2142434343 ZTXUBFSTVVAMQE-MRXNPFEDSA-N 267.457 4.641 30 10 CJEE C=CCCCCCCCCOCCCCC[C@H](C)N 2142442954 BKYVQFHXKGFAQN-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](O)CC1CCC1 2148579979 VCEDBDZZYOSBBW-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](O)C(CC)CC 2148588620 HEIUUNHPOHBZNU-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)c1cccc(Cl)c1F 2149850955 QVSRWTASWIXJEJ-INIZCTEOSA-N 293.813 4.713 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)[C@@H]1CCC[C@H]1C 2150065613 QRWBWTBKBXMGKF-ZJPYXAASSA-N 283.500 4.512 30 10 CJEE O=C1CCC2(CCCC2)N1CCCCCCCCCS 2150961314 KUVFERFZLHWUSI-UHFFFAOYSA-N 297.508 4.582 30 10 CJEE CCC1CCC(C#N)(Cc2nc3c(s2)CCCC3)CC1 2151243107 YMGYMCWDKFICRT-UHFFFAOYSA-N 288.460 4.675 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](O)C(C)(C)C(C)C 2151478717 XCYCPZIEVKKKNH-SJORKVTESA-N 285.516 4.758 30 10 CJEE CCC[C@@H]1CCC[C@@H]1Nc1ccc(C(C)(C)C#N)cc1 2152919701 JRXPAZJWFYSNSK-PBHICJAKSA-N 270.420 4.868 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CC[C@H](C)[C@H]2C(C)C)C1 2152961181 OZAFUYCXHBXYTE-PNKHAZJDSA-N 277.452 4.530 30 10 CJEE CC(C)(C#N)CCCCNC1C[C@@H]2CCCCC[C@H]2C1 2153396789 KJGYGRKXYCTDMZ-HOTGVXAUSA-N 276.468 4.655 30 10 CJEE Cc1ccc(C#N)c(NC2C[C@@H]3CCCCC[C@H]3C2)c1 2153412275 QENBCJKRLUTCGF-GJZGRUSLSA-N 268.404 4.638 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCCC34CCC4)C[C@@H](C1)C2 2153443438 RFAVYFQPCYBEQO-UJJTZGENSA-N 273.464 4.824 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(OC2CC2)c1 2154627453 MJSMLEFHJWEYCA-SFHVURJKSA-N 275.436 4.762 30 10 CJEE CCCCCCCCCC[C@@H](N)c1nccn1C(C)C 2154654548 XRJQLDIHQBIDJC-MRXNPFEDSA-N 279.472 4.995 30 10 CJEE CCCCCCCCCC[C@H]1CN(C(C)(C)C)C[C@H]1O 2156940627 MNWHCHRBOZOIGA-DLBZAZTESA-N 283.500 4.608 30 10 CJEE C=C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)C1CC1 2158192173 MERHNOQULQHQKP-OALUTQOASA-N 269.432 4.862 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 2158695038 NEXZNOFQPNVAMU-HZMVEIRTSA-N 275.480 4.783 30 10 CJEE CC[C@@H]1CCC[C@H](N=C2NC3(CCCCC3)CS2)CC1 2159457341 NFLSPVWVYIXHTO-CABCVRRESA-N 294.508 4.741 30 10 CJEE C[C@H]1CCC(=NO)[C@@H](OC2CCC(C(C)(C)C)CC2)C1 2162004228 AWGBMJAFIINCJH-USPMSXPRSA-N 281.440 4.627 30 10 CJEE CCCCCCCCCCC(=O)c1cccc(OC)n1 2163946577 IPDXZFWFDWBLKG-UHFFFAOYSA-N 277.408 4.804 30 10 CJEE C=CCCC[C@@H](NC)c1ccc(-c2ccccc2)cc1 2164140610 NHYNNUNVTGRJMN-LJQANCHMSA-N 265.400 4.970 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 2164330359 NYKYABBUVBYQBR-CCVYVMJOSA-N 284.390 4.699 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CC3(CC3)CO2)C1 2166430130 LCBUVDUYLNSZIW-CQSZACIVSA-N 275.436 4.692 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1COCCC1(F)F 2166685183 OVWCHINADMPZFN-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE O=C[C@]1(CC2CCC(C(F)(F)F)CC2)CCC12CCC2 2166774689 MXTYIRVVASYTNR-SSDMNJCBSA-N 288.353 4.895 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CC1(C)CC1)NCC 2167856670 RDHRAAYIDUPNGG-SJORKVTESA-N 283.500 4.656 30 10 CJEE C[C@]1(C[C@@]2(C#N)CCc3ccccc32)CCCC1(F)F 2167976821 XLKWCOAZYHEVTO-HZPDHXFCSA-N 275.342 4.610 30 10 CJEE C=CC1(CSc2ccc(CNCC(C)C)cc2)CCC1 2168016523 GZFAJMLLQBCUCA-UHFFFAOYSA-N 289.488 4.881 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@H]1CCCC(C)(C)C1 2168513097 HRILUGMSPFVYTF-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@@]1(C#N)CCCC(C)(C)C1 2168547938 LEQOFYUCGFODIN-KRWDZBQOSA-N 279.468 4.920 30 10 CJEE CN(C[C@H]1CCCC(C)(C)C1)c1ccc(C#N)c(Cl)c1 2168550916 DANQBAYUNPILNP-ZDUSSCGKSA-N 290.838 4.864 30 10 CJEE C#C[C@H](N[C@H](C)[C@@H]1CCCC(C)(C)C1)c1ccccc1 2168632844 SJFYIJBOTSWHHG-NXHRZFHOSA-N 269.432 4.555 30 10 CJEE CN(C1CCCCCCCC1)[C@H]1CCCCC[C@@H]1C#N 2168890096 ZBEYDHWUPGCVTH-AEFFLSMTSA-N 276.468 4.894 30 10 CJEE N#C[C@@]1([C@H](O)c2ccc(Cl)cc2)CCCCC12CCC2 2173627927 ZSOHTZWTJDCAGV-NVXWUHKLSA-N 289.806 4.628 30 10 CJEE CC=CC[C@@H](N)[C@H](O)CCCCCCCCCCCC 2177262723 GJNPJFPDSXJWRX-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@](C)(O)CCCCCCC 2179678430 IEJVQTKZYVRTMD-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@H](NN)c1cnc2sccc2c1 2181332868 MZIAWBJIJZYDMU-HNNXBMFYSA-N 291.464 4.551 30 10 CJEE Cc1ccc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)c(C)n1 2181641679 ONBCZSPKUZPDAP-HNNXBMFYSA-N 271.404 4.654 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CC[C@@H](COC)C2)CC1 2181919460 BKDTXAYTMBPKKV-JDEYZFBPSA-N 280.452 4.615 30 10 CJEE C=C1CC(C[C@H](NCCC)C(C)(C)c2ccccc2)C1 2182158572 UCVCBYCTTBGMCB-SFHVURJKSA-N 271.448 4.689 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CC(C)(CC)CC)C1 2182264540 KDDYVJMOZIJTQZ-IXDOHACOSA-N 278.484 4.853 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCC[C@H](OC)C1 2182788715 LHNNHXGRWKIIQL-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](SCC(C)(C)C)CC(C)(C)C1 2183527131 ULLHZKWCNKKEJT-WMLDXEAASA-N 296.524 4.606 30 10 CJEE CCCCCCCCC1(CO)CC2(C1)C(F)(F)C21CC1 2183997467 SGJPJEPLHGSJCV-UHFFFAOYSA-N 286.406 4.925 30 10 CJEE CCSc1cccc(NC2CC3(C2)CC3(C)C)c1C#N 2184055723 PLRNRGPZSYUSLG-UHFFFAOYSA-N 286.444 4.661 30 10 CJEE CCCCCCCCCCC[C@@H](O)c1ccnc(C)n1 2184291827 SLLDXKWFUPPTNC-QGZVFWFLSA-N 278.440 4.739 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@@H](C1CCCC1)C1CC1 2184454313 PQQZRRCVPFELFQ-INIZCTEOSA-N 292.785 4.731 30 10 CJEE CC(F)(F)c1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 2184808736 TXVQNISLKOBAAV-DOMZBBRYSA-N 278.346 4.683 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(C)n(CC)n1 2185735282 YNRPGEVMJAGHEZ-MRXNPFEDSA-N 279.472 4.742 30 10 CJEE CCCCCCCCCc1ncc(CCNCCC)s1 2187987692 FUHUKSOHVZCKBX-UHFFFAOYSA-N 296.524 4.978 30 10 CJEE CC1(C)CC[C@H]1CNc1ccc(C#N)c2ccccc12 2188609084 JGXXARVBGBNWNB-AWEZNQCLSA-N 264.372 4.560 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2CCCc3ccsc32)c1 2188838431 DIMPKSIFHLNSNI-OAHLLOKOSA-N 282.412 4.672 30 10 CJEE C[C@H]1CCC[C@@H](Sc2nc(C(C)(C)C)ccc2C#N)C1 2192039848 HCYAHXJPNLMQOR-GXTWGEPZSA-N 288.460 4.922 30 10 CJEE CCCCC[C@H](CC)N(C)C[C@H](C#N)C1CCCCC1 2193689766 AMQIPCCYEUSEPB-ROUUACIJSA-N 278.484 4.997 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@@H](C2CCCCC2)CS1 2193743332 HIIIRZADANUVJB-HZPDHXFCSA-N 296.524 4.987 30 10 CJEE CCCCC[C@H](CC)N=C1NC2(CCC(C)CC2)CS1 2193743763 LCTRXHZLBZXKSO-CKDBGZEDSA-N 296.524 4.987 30 10 CJEE CCCCCCCCN1CC2(CCCCCC2)CC1=O 2195483104 HXKKQFKBTABWCC-UHFFFAOYSA-N 279.468 4.920 30 10 CJEE C=C(CN(C)C1CCC(C)(CC)CC1)c1ccccc1 2195509506 SHWRULASXODMPU-UHFFFAOYSA-N 271.448 4.991 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCCN(C)CC1 2195672673 ZLVNKEPWAMPKQK-GOSISDBHSA-N 282.516 4.543 30 10 CJEE C#CC[C@H](C[C@@H](CCC1CCCC1)NCCC)C1CC1 2196836325 JHQFUJLIVIEBFU-RTBURBONSA-N 275.480 4.765 30 10 CJEE C#CC[C@@H](CC1(CNCC)CCC(CC)CC1)C1CC1 2196847252 FEXYKTHBYWJZIR-AVAKVYKDSA-N 275.480 4.622 30 10 CJEE C#CC[C@H](C[C@@]1(CNC(C)C)CCC[C@H](C)C1)C1CC1 2196853349 HGTMMDFUVDJSOH-QXAKKESOSA-N 275.480 4.621 30 10 CJEE C#CC[C@H](C[C@@]1(CNCCC)CCCC[C@H]1C)C1CC1 2196856005 SWZITTCXDNWVLC-BHIYHBOVSA-N 275.480 4.622 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1C[C@@H]1C1CCCCCC1 2200175021 BXGDNRVOWSDYIB-WBVHZDCISA-N 288.822 4.982 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCC[C@H]3CCCC[C@H]32)cc1 2201125254 WGNRCMNRPKQPMJ-NXHRZFHOSA-N 268.404 4.660 30 10 CJEE CCCCC#CC[C@H](C[C@H]1C[C@@H]1C(F)(F)F)NCCC 2203788553 ZTIVPZNTYZFWGQ-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCC#CC[C@@H](NCCC)c1ncsc1C1CC1 2203819337 MLESYQPICRJHPI-OAHLLOKOSA-N 290.476 4.645 30 10 CJEE C=C[C@H](C)N(C)c1c([C@H](C)NCCC)ccc(Cl)c1F 2204688788 XSWCKEOMWBHWQP-RYUDHWBXSA-N 298.833 4.550 30 10 CJEE CC(C)c1ccc(C#CCCCCCN)c(C(C)C)c1 2206240211 CFFSSYLFXMEFCV-UHFFFAOYSA-N 271.448 4.804 30 10 CJEE C=CCCCCCC[C@@H](NN)c1ccccc1CCC 2206896920 JGAHAEMKFCHIBQ-GOSISDBHSA-N 274.452 4.670 30 10 CJEE C=CCCCCCC[C@@H](NCC)c1ncc(C)cc1C 2206903128 PHVQLNWHQLLNLC-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCCOc1ccc(F)cc1CO 2207402577 CYDJVQMLPMCIHM-UHFFFAOYSA-N 280.383 4.614 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCC[C@@H](F)C1 2207439563 BJLIHFGMCPUZCW-BBWFWOEESA-N 284.463 4.653 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)CC(C(C)C)C(C)C 2207443963 FOYHQXNZVBYMJS-ROUUACIJSA-N 285.516 4.744 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](NCC)c1sccc1C 2207454009 QZULMFYHPZUVJR-CVEARBPZSA-N 297.508 4.819 30 10 CJEE CCCC#C[C@H](C[C@H](C)CC(C)(C)C)NCCC 2218444425 VOZYZEFFWPIILV-JKSUJKDBSA-N 251.458 4.621 30 10 CJEE Cc1cc(NCC(C)(C)CCC#N)c(F)cc1Cl 2219261323 BRTSLWUZSQRTMD-UHFFFAOYSA-N 268.763 4.529 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](SC)C1CC1 2221145553 NSRJYDRDQGUXIN-HOTGVXAUSA-N 271.514 4.857 30 10 CJEE CCCC(CS)(CCC)CSC1CC(COC)C1 2222275598 COSSLTUHJKTQHP-UHFFFAOYSA-N 290.538 4.661 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)CCC 2223276560 QDZOHYHTRPRLIJ-INIZCTEOSA-N 257.462 4.661 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](CCC)c1ccc(Cl)cc1 2226323416 XIDUWQMUBTVQAC-DLBZAZTESA-N 277.839 4.819 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@]1(C)C(F)F 2227270270 DZEFJECNWUJPOY-YCPHGPKFSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCC[C@H](O)Cc1cccc(C)c1 2227271981 MYZDGXBQCCZHHG-SFHVURJKSA-N 260.421 4.815 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ncccc1Cl 2227273744 SKWYCFCWZQJMMK-HNNXBMFYSA-N 280.843 4.912 30 10 CJEE C=CCCCCCCCOc1cccc(Cl)c1CN 2227274981 WJEMQUGGCRYCHY-UHFFFAOYSA-N 281.827 4.704 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1scc(C)c1C 2227281363 RCWRRAIIRMAYDB-OAHLLOKOSA-N 280.481 4.786 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cc(C)c(C)s1 2227289107 YIBDRSICUIWSKQ-HNNXBMFYSA-N 280.481 4.786 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@H]2CSC[C@H](C2)C1 2228515393 ABXLUBKLFJRZTN-WCXIOVBPSA-N 283.525 4.857 30 10 CJEE CCCC[C@@H](CC#Cc1ccc(Cl)cc1)NCCC 2231015377 JFOQIBOMOVNYSY-KRWDZBQOSA-N 277.839 4.640 30 10 CJEE CCCCCCCCCOC[C@@H]1NCCC[C@H]1CC 2231015435 QAIZWQNTZDOBFK-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)c(F)cc1C#N 2231024384 ZTIDPETZGJAHBQ-LBPRGKRZSA-N 281.758 4.864 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@@H](C)C(=O)C1 2231043335 YFOJHCGZZLWQOA-CVEARBPZSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCOCc1csc(C(=O)O)c1 2231067613 NCHFPIIEISPHFI-UHFFFAOYSA-N 284.421 4.714 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(C3CC3)cc2)C1 2231709598 YFMRXLAMBCBLGA-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CCCC(C)C 2231945649 IAVOUAXYVNHWJT-QGZVFWFLSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1OC[C@@H]2CCCC[C@H]21 2233182907 HPHKYXDMOOPCPY-XWTMOSNGSA-N 281.484 4.660 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(F)c(Cl)c1 2233375929 CFZVHSXVDZIAJO-JQWIXIFHSA-N 295.785 4.728 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cccc(C(C)(C)C)c1 2233784199 ZYEIMQNSFBMSAH-KRWDZBQOSA-N 271.448 4.684 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@H](CN)C(C)C 2235523536 GXZHMYMRXLGDAP-QZTJIDSGSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](O)(CC)c1cccs1 2235541052 DFZFCNQOFNNXAO-NVXWUHKLSA-N 295.492 4.590 30 10 CJEE CCCCCCCCCCC(=O)c1nncn1C(C)C 2236189798 ZQBKRTBBDSUYPO-UHFFFAOYSA-N 279.428 4.573 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)C2(C#N)CCCCCC2)c1 2237905179 OZAXJKWYAQCLBW-INIZCTEOSA-N 291.822 4.720 30 10 CJEE CCCCCCCOCc1ccc(CN[C@H](C)CC)o1 2238505253 JPLWPVDLROJOSE-OAHLLOKOSA-N 281.440 4.655 30 10 CJEE CCN[C@](C#N)(CSCCCCCCC1CC1)C(C)C 2239358111 IBCMZYSHWLTJGI-QGZVFWFLSA-N 296.524 4.608 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](NC)C1(C)CCCCC1 2239483934 OVUPRDJKZJQDJA-IAGOWNOFSA-N 281.484 4.696 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc2nc(C)sc2cc1N 2239514111 WWNXPMJYJWSOHB-LBPRGKRZSA-N 290.432 4.701 30 10 CJEE CCCCCCCCCCCCCCO[C@@H]1CNOC1 2239555525 XOMDHHDOIYHSNW-QGZVFWFLSA-N 285.472 4.608 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1cccc(C(F)F)c1 2240148042 SQXVZONUGYWVTM-ZFWWWQNUSA-N 281.390 4.747 30 10 CJEE N#C[C@@]1(Cc2ccc3occc3c2)CCCC(F)(F)C1 2241149914 FIIQACRQHAPPIE-OAHLLOKOSA-N 275.298 4.695 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc2occc2c1 2241152320 NZHVAWZCPVGHQG-HOCLYGCPSA-N 271.404 4.556 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NCC#C[Si](C)(C)C 2247681269 XNKZUWSEQOPOBM-UHFFFAOYSA-N 286.278 4.595 30 10 CJEE CCCCCCSCc1ccc(C#N)cc1F 2253017674 QMFYDQUAIAVVAZ-UHFFFAOYSA-N 251.370 4.511 30 10 CJEE CCCCCCCCC1(CN)CC2(CC(C)C2)C1 2259489634 RKGKIDCRPDXGFG-UHFFFAOYSA-N 251.458 4.892 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)[C@H](C)CC 2262649282 WSOYNHZSHBWGKH-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2C[C@@H]2C1 2263716534 CDCVPRAWBIJPAV-WCXIOVBPSA-N 251.458 4.904 30 10 CJEE CC(C)c1cccc(Oc2c(F)cccc2C#N)c1 2265698943 SPMQLIZFDFJKFS-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CCCC(CCC)[C@H](CC=CC#CC(C)(C)C)NC 2268741595 ILYBBYWKHMNEBD-KRWDZBQOSA-N 263.469 4.787 30 10 CJEE CC(C)C[C@H](C(C)C)[C@@H](N)CC=CC#CC(C)(C)C 2268818159 OMSJIONAEJNNIJ-SJORKVTESA-N 263.469 4.628 30 10 CJEE C[C@H](NCC=CC#CC(C)(C)C)c1ccccc1Cl 2268822740 JEAPDNXSKFTFGY-AWEZNQCLSA-N 275.823 4.596 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@@H]2C(F)F)CCCC12CCC2 2270129293 PVMGDGCVZQHCDF-DVOMOZLQSA-N 267.363 4.922 30 10 CJEE C=C(C)CCCC[C@@H](O)C1CCC(C(F)(F)F)CC1 2271770491 SDPNKMOZFDSWSG-JXQTWKCFSA-N 278.358 4.853 30 10 CJEE CCC[C@H](CC)[C@H](O)C1(C#N)CCC(C(C)C)CC1 2272068287 LMVLCUQNCQUIGG-SOEBMCCKSA-N 265.441 4.530 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)CCCCC1=O 2272282742 USEGPPYYGIKRPM-RDJZCZTQSA-N 263.425 4.882 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@]23CCCC[C@H]2CC3)C1 2273397678 BXDBZEZTAPUEKZ-SQNIBIBYSA-N 261.453 4.635 30 10 CJEE CC(C)[C@H]1CCCCC[C@]1(N)C#CC1CCCCC1 2273997715 ZVWIEZUANDSTBC-MSOLQXFVSA-N 261.453 4.504 30 10 CJEE CCCC[C@H](C)[C@H](CC#CC1CCCC1)NCCC 2274119480 DJTUYJXNTIHRAE-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE CC(C)(C)C1CC([C@H](C#N)Nc2ccccc2Cl)C1 2274214767 OOADEDHSHGKCFU-QOZQQMKHSA-N 276.811 4.716 30 10 CJEE CCCCCCC[C@H](C)NCc1nc(C(C)C)ns1 2274682460 VMUGTTLWJMQIAP-ZDUSSCGKSA-N 283.485 4.500 30 10 CJEE C=C(CC)C[C@](C)(CCCCCC)OCCC(=O)O 2275171394 ZHUPWILQARJKLB-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=CCCCCCCC[C@H](OCCN)c1cccs1 2276826046 IIBQDLFCLWAOCA-HNNXBMFYSA-N 281.465 4.681 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCC[C@H](C)C1 2277363075 VXXYELNUMAYSOK-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(C(F)(F)F)s1 2277672757 GMSXQBHCOMZPFW-NEPJUHHUSA-N 291.338 4.520 30 10 CJEE C[C@@H](CC(=O)C#Cc1ccccc1Cl)CC(C)(C)C 2277778110 PFVVGNYSKMGKCB-ZDUSSCGKSA-N 276.807 4.723 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC=CC#CC(C)(C)C 2284103060 MMFFSUYQACJERI-KURKYZTESA-N 275.480 4.643 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 2284110622 FKIABMQPHRCBQO-CHWSQXEVSA-N 286.337 4.530 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CCCCCCCCCCCO 2286816755 FDCKDEMENZEWGZ-QZTJIDSGSA-N 282.468 4.885 30 10 CJEE C=CCCCSC[C@@](C#N)(NCC)C1CCCCCC1 2287089784 MMGOGVUGPSGTIW-QGZVFWFLSA-N 294.508 4.528 30 10 CJEE C=CCCS[C@@H](C)[C@@H](NCCC)c1ccc(CC)cc1 2287185425 CHOXTPMAEKNSPN-MAUKXSAKSA-N 291.504 4.988 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@H]2CCC[C@H]2CS1 2287886547 UTONWWXMKPEIRH-JYJNAYRXSA-N 296.524 4.700 30 10 CJEE CCCCCCCCOCc1cc2cc(N)ccc2o1 2288168816 YRLXNNFJUZHMSW-UHFFFAOYSA-N 275.392 4.892 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CCCC1(C)C 2289873281 BULUIVLBJHTNBM-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@](C)(OCC(=O)O)c1cccs1 2291304471 CXVSLHXCVLMQJN-INIZCTEOSA-N 296.432 4.591 30 10 CJEE C=CCCCC[C@H](OCCC(=O)O)C1(C)CCCCC1 2292399183 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Cc1cc(SC[C@H]2CC[C@H](C)CC2)ccc1C#N 2313840883 UMVZKZHDHJQBGV-MQMHXKEQSA-N 259.418 4.785 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cc(Cl)sc1C 2315702710 JHDPUVKBAIQIDP-AWEZNQCLSA-N 281.852 4.554 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCC 2320243652 MOYRIBFMPGTHQV-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc(Cl)c(Cl)c1OC 2321222355 HVYXGCHIOVVQFD-CYBMUJFWSA-N 289.202 4.638 30 10 CJEE C=CCCCC[C@@H](NN)c1c(Cl)cc(C)cc1Cl 2327920709 IXNWXJCOUSCBFL-CYBMUJFWSA-N 287.234 4.553 30 10 CJEE CCC(=NOCc1cc(Cl)ccc1F)c1ccccc1 2330246178 LSAHFXCGHXLLHT-UHFFFAOYSA-N 291.753 4.810 30 10 CJEE O=C[C@@]1(CC[C@@]23CCC[C@@H]2C3)CCCCC12CCC2 2331349849 ICJHJHVXWYKSJD-NUJGCVRESA-N 260.421 4.886 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2333706295 JYPDQNNLEHLBEP-DISONHOPSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)N[C@@H]1CCCCC12CCCCC2 2335099895 YVBLBTOAONZQHO-QGZVFWFLSA-N 261.453 4.990 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1c(F)cccc1Cl 2337110717 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2341930283 JHEPOCXLCALBOU-KSZLIROESA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC(C)=C(C)C1)NN 2343436454 GOSYLNRJMZBYTG-IAGOWNOFSA-N 266.473 4.705 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cccc2ccccc12 2344460976 WINGKWWHTDWCIS-QZTJIDSGSA-N 254.373 4.866 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1cc(F)ccc1C(F)F 2344463907 HJQZYGKSXSCLDW-UKRRQHHQSA-N 272.310 4.789 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc(SC(C)C)c1 2352910186 YVYLVLXTBQSJEZ-SJORKVTESA-N 275.461 4.804 30 10 CJEE CCCCCCCCC[C@@](C)(O)CC1=CCCOC1 2353404359 WOAYKCBMLLPGIC-QGZVFWFLSA-N 268.441 4.615 30 10 CJEE CCC[C@H](CC)C[C@@]1(C#N)CCc2ccccc2C1 2353531778 PXZAWRPXCQOXEI-YJBOKZPZSA-N 255.405 4.902 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@](C#N)(NC1CCCCCC1)C2 2354150986 PCQPYHNDJDGMNX-BPQIPLTHSA-N 274.452 4.551 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1 2358137427 NGZJUDBCSRQUDL-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2358137786 YREOXRCQMYXYHX-IPMKNSEASA-N 276.464 4.928 30 10 CJEE 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4.922 30 10 CJEE CC[C@@H](C)n1ccc(CC2(C#N)CCC(C(C)C)CC2)n1 87960046 RPIDUNRMVRIPHD-KLHKWILBSA-N 287.451 4.753 30 10 CJEE CC[C@H]1CC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 88041342 USIALKOBZMXPQZ-WFASDCNBSA-N 282.412 4.975 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccccc1C1CC1 94518489 NWIQIAMSZUUYAW-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE C[C@H]1CC=CC[C@@H]1COCC1(CS)CCCCCC1 94584074 VNPZSWHYRDPOBF-JKSUJKDBSA-N 282.493 4.876 30 10 CJEE CC(C)c1cccc(C(C)C)c1OC[C@H](C)CS 94585522 WVYOLVSSPHVHPC-ZDUSSCGKSA-N 266.450 4.878 30 10 CJEE CC(C)Cc1ccc([C@@H](C#N)Nc2cccc(F)c2)cc1 94896913 IVVPOYPXOBKPCD-GOSISDBHSA-N 282.362 4.701 30 10 CJEE CC(C)Cc1ccc([C@H](O)C2(C#N)CCCCCC2)cc1 94904964 SZJXYFSSKYFLDT-SFHVURJKSA-N 285.431 4.783 30 10 CJEE CCCCCC(C)(C)CNC(=O)C(C#N)(CCC)CCC 94989107 WOISJIOOONNMGF-UHFFFAOYSA-N 294.483 4.819 30 10 CJEE C=C(C)Cn1ccc2c(OCc3ccccc3)cccc21 96777972 IMEXJVDZOFVNOI-UHFFFAOYSA-N 277.367 4.796 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2cc(C)ccc2o1 97283129 ZWWYEQOJMIDVCJ-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H](C)Oc1cccc(Cl)c1 97283911 ZWMLFVUKFJXRFV-WMLDXEAASA-N 295.854 4.832 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2ccccc2Cl)cc1C 103030699 CMOOSHXJJPLVOT-KTKRTIGZSA-N 285.774 4.765 30 10 CJEE C=CCn1c(C2CCCCC2)nc(C2CCCCC2)c1N 106840274 YTGWSBIYGGWJOG-UHFFFAOYSA-N 287.451 4.747 30 10 CJEE C#CC[C@@H](C)c1cc(C)cc(C(C)(C)C)c1OCC 107672599 WVGCZWGEFJCYJH-CQSZACIVSA-N 258.405 4.818 30 10 CJEE CCCCCCCCOc1ccc(C[C@@H](C)N)cc1Cl 109765292 ZBLLESFSDDMHQX-CQSZACIVSA-N 297.870 4.969 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C[C@@H](N)CC 111235735 GUDDUPCHDXIQTH-INIZCTEOSA-N 297.870 4.969 30 10 CJEE CCCCCCCCCOC(=O)c1cc(N)c(C)c(F)c1 111235895 GGCWPYQQCXRENC-UHFFFAOYSA-N 295.398 4.624 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@]1(C)C1CC1 114062613 CHVPIYSEYJDQNA-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCSCC1(CC(=O)O)CC1 115077346 HEKPRNFPZQHOLW-UHFFFAOYSA-N 272.454 4.725 30 10 CJEE CCCCCCCCC[C@H](CO)Cc1cccc(OC)c1 117328775 KLEJUTATTWGCCT-SFHVURJKSA-N 292.463 4.987 30 10 CJEE CCCCCCCCC1(c2ccccc2C)CNC1 118674135 TWDKNCYCVGETOX-UHFFFAOYSA-N 259.437 4.587 30 10 CJEE CCCCCCCCC[C@H](NN)c1c(C)oc(C)c1C 122208683 CGPFGXYDXXOBIA-INIZCTEOSA-N 280.456 4.850 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1COc2ccccc21 124816558 CBFPMWDTBBGTIM-MSOLQXFVSA-N 289.463 4.891 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 127071372 KDGROMUJEXJRQZ-FRRDWIJNSA-N 274.433 4.517 30 10 CJEE CCCCCCCCCCN1CC[C@H](CNC(C)(C)C)C1 129394513 GLYZXMYMHJDHHQ-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CCCCCCCCN1c2ccccc2NC[C@H]1C 133661820 HXLCRNINDRZCDC-OAHLLOKOSA-N 260.425 4.668 30 10 CJEE CCCCCCCC[C@H](NC)c1ccncc1Cl 140426428 ZWARZUJTILDKBW-HNNXBMFYSA-N 268.832 4.746 30 10 CJEE CCCCCCCC[C@](C)(O)c1cc(F)cc(F)c1 148272707 GMBJIHDMKUXGLA-INIZCTEOSA-N 270.363 4.923 30 10 CJEE CCCCCCC[C@@H](NC)C1(OC)CCCCCC1 158490015 PRILTVFUTGDAOG-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE N#CC1(CCCOCC(F)(F)F)CCCCCCC1 158884138 CWCOSDSIWGTWIJ-UHFFFAOYSA-N 277.330 4.600 30 10 CJEE CCCCCCCCNC1=N[C@@]2(CCC[C@H](C)C2)CS1 159403853 LYOFSZZNIGFTSN-DOTOQJQBSA-N 296.524 4.988 30 10 CJEE C=C(C)CC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC1CC1 164941848 QMOWLNGFRAEUNI-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE Cc1cc(C#N)ccc1CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 165544922 UDYHHXLDNSPVLU-NIKGAXFTSA-N 285.431 4.844 30 10 CJEE CC(C)(CCC#N)CN[C@@H](c1ccc(Cl)cc1)C1CC1 174243751 WCNYWEPPIFJRTC-MRXNPFEDSA-N 290.838 4.711 30 10 CJEE Cc1cccc(C)c1CNc1ccc(C(C)(C)C#N)cc1 215523738 DTHJRBHTVPELPM-UHFFFAOYSA-N 278.399 4.717 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(CC/C(C)=N\O)cc1 215965790 XJPXDKPEIYJNNS-BKTFPUOISA-N 289.419 4.817 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1cccc(C#N)c1 227635227 BHINQFAWJXSMSU-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1C 232072965 XCSLTFNPXIWZEL-UHFFFAOYSA-N 264.369 4.594 30 10 CJEE Cc1ccc(N(CCC(C)C)C2CCCC2)c(C#N)c1 232547212 UXPCIXBKZFBJQL-UHFFFAOYSA-N 270.420 4.662 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@@H](OC)C1 232959329 GUWHBJHQQLUOQE-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSc1ccc(C)cc1 233152408 UKSVZPUPXYIPLY-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C 251650824 FODHBGBWZSQMIU-NQBHXWOUSA-N 296.336 4.814 30 10 CJEE C[C@@H](CC#N)c1ccc2c(ccn2C2CCCC2)c1 260215912 ZOPZEZNRCXUHEC-ZDUSSCGKSA-N 252.361 4.774 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2C#N)CC1 300564144 FCOFOEOYGTULRU-VXGBXAGGSA-N 262.784 4.592 30 10 CJEE C[C@H]1CCC[C@@H](COCCCCC(C)(C)C#N)C1 302421056 UHRLSWDBPHHXCW-LSDHHAIUSA-N 251.414 4.549 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](C)CSC 305939076 LBRAQAWDLKLQTD-CABCVRRESA-N 259.503 4.844 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccccc1Cl 308057289 ROMNVKICXBWQMA-GXTWGEPZSA-N 277.795 4.589 30 10 CJEE C=CCCCCCCN[C@@H](C)c1cccc(F)c1F 312061707 IQEDYVXHJQLSKR-ZDUSSCGKSA-N 267.363 4.752 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@H]1CCCc2sccc21 312344829 RKPSNXSZYGSQAA-HOCLYGCPSA-N 289.488 4.586 30 10 CJEE CC(C)C1CCC(CNc2ccc(F)cc2C#N)CC1 312801849 QLPJQZKIJPQMDI-UHFFFAOYSA-N 274.383 4.572 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C=O)CCOc2ccccc21 316657039 RVLBWMKMTYKEQR-CRAIPNDOSA-N 274.404 4.512 30 10 CJEE N#Cc1cc(N)ccc1Sc1ccc(Cl)cc1Cl 322751083 DHFBDVCUAVLJFE-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE CCCCCCCCCC(=O)C(C)(C)OC(C)C 384119600 MKLOWCUVRKBORR-UHFFFAOYSA-N 256.430 4.900 30 10 CJEE C=C(COCC)[C@H](NCCC)c1csc2ccccc12 387598921 VKSQFXYKASPUID-KRWDZBQOSA-N 289.444 4.535 30 10 CJEE CCCCCCCCCC[C@@H](CCOC(C)C)NC 395464883 NKVBZQPWHGYGJK-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCC/C(C)=C/B1OC(C)(C)C(C)(C)O1 396679215 VQFJVRIWVKGLAP-BUHFOSPRSA-N 266.234 4.925 30 10 CJEE CC[C@H](CC(=O)C1=CC[C@@H](C)CC1)CC(F)(F)F 402316697 KSAFMVIUIBVOJV-GHMZBOCLSA-N 262.315 4.671 30 10 CJEE CSc1ccc(C=NNc2ccc(Cl)cc2)cc1 606346875 PSADHAKYKZUNCD-UHFFFAOYSA-N 276.792 4.508 30 10 CJEE C#CCCCCC[C@H](NCCC)c1sccc1C 686699656 HWCNVAHCHKNTEW-HNNXBMFYSA-N 263.450 4.681 30 10 CJEE O=C(CC1(c2ccccc2)CCCC1)C1=CCCCC1 686743899 RJLGPJPDDJKQJV-UHFFFAOYSA-N 268.400 4.958 30 10 CJEE CC[C@@H](COc1cc(C)c(C#N)c(C)c1C)CC(F)F 688731799 NMWOBXDTMOAOQV-CYBMUJFWSA-N 281.346 4.544 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 692280832 MUBVEABUGLAGSL-PCCRXHMLSA-N 261.453 4.536 30 10 CJEE CC(C)c1ccc(Sc2c(N)ccc(F)c2C#N)cc1 702728781 JLIHMLONIDGJOM-UHFFFAOYSA-N 286.375 4.554 30 10 CJEE CCCC(CS)(CCC)CN(CC)[C@@H](C)C(C)C 706487965 YGKGQZHYIRVGQZ-HNNXBMFYSA-N 273.530 4.869 30 10 CJEE CCCCCCCC[C@@H](COC1CCC1)NCCC 714915641 OKZMKIJNVYHVBE-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CC[C@H](C)[C@@H]1CC(C)(C)CC[C@H]1CNC(C)C 715785717 DXSFDWNRXONNJD-JYJNAYRXSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C(C)(C)C)cc1 715796136 OGVZLVYBSDBGER-WMLDXEAASA-N 259.437 4.847 30 10 CJEE CC[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)cc1 718511078 RFUMXNQZPVKUQQ-INIZCTEOSA-N 288.753 4.914 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H](C1CCCCC1)C1CC1 723843678 RAZMVVMVGZDNJI-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(F)cc2Cl)CC1 724549478 NGZGCWPFZQRHJH-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H](C[C@@H](C)CC)NCCC)CC1 724591899 FWHZHZDLQSZPGS-WMLDXEAASA-N 251.458 4.927 30 10 CJEE C=C1CCC(CC(=O)c2csc(Cl)c2)CC1 724595097 MBXREQQGAKLPFP-UHFFFAOYSA-N 254.782 4.721 30 10 CJEE C=C1CCC(C[C@@H]2CC(C)(C)CC[C@H]2C(=O)O)CC1 724599058 JIJNPRBVPPCEEB-HUUCEWRRSA-N 264.409 4.650 30 10 CJEE C=C1CCC(C[C@@H](C[C@H](C)C(C)(C)C)NC)CC1 724616693 LTANOWBBRDAQKM-GOEBONIOSA-N 251.458 4.783 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@@H](C2CCCC2)CCS1 725090088 PITMCFORTSPZBS-GOEBONIOSA-N 296.524 4.987 30 10 CJEE C=C(C)CO/N=C(/c1ccc(SCC)cc1)C1CC1 821234585 XKSIUEBAYJRJBC-WUKNDPDISA-N 275.417 4.505 30 10 CJEE C=CCCCC(=O)OCCCc1cccc2ccccc12 1126345307 GEIQPZATQNYGCP-UHFFFAOYSA-N 282.383 4.672 30 10 CJEE C=CCCC1(CNC(=O)c2sccc2Cl)CCCC1 1131111499 NHTAGTSBGYVWQG-UHFFFAOYSA-N 297.851 4.658 30 10 CJEE C=C1CCC(CNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 1133543131 AAGKADWNUYVIEM-NVXWUHKLSA-N 291.479 4.702 30 10 CJEE C=CCCCCCCNC(=O)c1[nH]c2ccc(C)cc2c1C 1140296128 VXMANMVHBQBQNF-UHFFFAOYSA-N 298.430 4.651 30 10 CJEE C=C(CC)CNCc1cc(F)ccc1N(C)CCCCC 1178950920 VOIMRSCHPQEPSD-UHFFFAOYSA-N 292.442 4.508 30 10 CJEE C=CC(C)(C)CCNc1nc(C(F)F)nc2ccccc12 1187130620 PFRYRBCZMBEZLN-UHFFFAOYSA-N 291.345 4.582 30 10 CJEE C=CCCCCSc1nnc(C)n1C1CCCCC1 1188053643 OQVIYTKTDSHIRJ-UHFFFAOYSA-N 279.453 4.540 30 10 CJEE C=CCCCCCSc1cc(C(F)(F)F)ccn1 1307372787 ZFVUHVQEUWPWPD-UHFFFAOYSA-N 275.339 4.939 30 10 CJEE CC(C)c1ccc(C[C@H]2CCN(C[C@@H](C)CCC#N)C2)cc1 1308662050 DTWZDFYCXHJPSV-PKOBYXMFSA-N 298.474 4.614 30 10 CJEE C=CCC(CC=C)C(=O)N(C)[C@@H](CC)Cc1ccc(C)cc1 1361241046 VUIJXHOKYYLZDR-IBGZPJMESA-N 299.458 4.543 30 10 CJEE C=CCC[C@H](Nc1cc(C(F)F)ncn1)c1ccccc1 1458271198 YXHOIAWVMBFNRH-ZDUSSCGKSA-N 289.329 4.534 30 10 CJEE C=CCC1(CNCc2ccc(Cl)c(F)c2)CCCC1 1461498812 CXCZTGHLUXMDED-UHFFFAOYSA-N 281.802 4.705 30 10 CJEE C=CCCC1(CNCc2ccc(C)cc2)CCCC1 1461628630 HPOYWNIABBKYGJ-UHFFFAOYSA-N 257.421 4.611 30 10 CJEE C=C(C)CCN(CCCC)Cc1ccccc1Cl 1473141486 SWYAXQPRVTYVOF-UHFFFAOYSA-N 265.828 4.908 30 10 CJEE C=C(CC)CNC(=O)c1c2ccccc2cc2ccccc12 1525400121 SDKONENPVVRROZ-UHFFFAOYSA-N 289.378 4.689 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 1534158431 IWCFKKMDWLXCTE-QZTJIDSGSA-N 299.458 4.679 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H]1CCCC[C@@H]1C)c1ccccc1 1536305732 SQMIVDSIMRTNRY-UHOSZYNNSA-N 299.458 4.679 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]1CCC 1537944561 WYZYHFKVYLYSBA-ZWKOTPCHSA-N 291.479 4.798 30 10 CJEE C#Cc1cccc(N(CC)Cc2cccc(C(F)F)c2)c1 1559645504 KKNUTIPOSBXDKV-UHFFFAOYSA-N 285.337 4.632 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1cc(Cl)ccc1Cl 1560773347 XJIZEUFPXHGPMR-WDEREUQCSA-N 272.219 4.999 30 10 CJEE C=CCCCN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 1560804236 WLLVSQLWBZNQOK-HZPDHXFCSA-N 297.364 4.897 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCC[C@H]1Cc1ccccc1 1560996750 BHGMJFBGDBNLMH-RBUKOAKNSA-N 285.475 4.980 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccccc1CCC 1562092993 YUUKMWXEFDYCMI-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C#CCOc1ccccc1CNc1cc(C)c(Cl)c(C)c1 1620912123 IXGZEVBVUQRPLI-UHFFFAOYSA-N 299.801 4.581 30 10 CJEE C=CCCCCCCCNCc1ccc(F)cc1C 1620958315 KKWVFKRCBMOALG-UHFFFAOYSA-N 263.400 4.750 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)C(C)C)C1 1621285807 KAZVDTMUKWEILZ-OLMNPRSZSA-N 275.411 4.857 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1C[C@H](c2ccc(F)cc2)C1 1621348949 RTCHDFPMBBOIKW-KBAYOESNSA-N 275.411 4.796 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](c1ccccn1)C1CCC1 1621444380 MRDPHLUTVJRKGR-MAUKXSAKSA-N 272.436 4.647 30 10 CJEE C=CCCC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 1624094988 XRRXKVYOLKCNEA-LNLFQRSKSA-N 299.458 4.631 30 10 CJEE C=C(Cl)CN1CC[C@@H](c2ccccc2Cl)C1(C)C 1648165276 QTPCTSXVTVTNFZ-ZDUSSCGKSA-N 284.230 4.660 30 10 CJEE C=CCCCN[C@H](Cc1ccccc1)c1cccs1 1653241457 ZPRPUGZAMMEFIS-MRXNPFEDSA-N 271.429 4.588 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccccc1OCc1ccccc1 1653883988 OUDWWLSKIZHFAB-DLBZAZTESA-N 295.426 4.881 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(C)cc2OC(C)C)C1 1656722354 DOZDCANAWCNSDN-WMZOPIPTSA-N 287.447 4.617 30 10 CJEE C#C[C@H](N[C@H]1CCCC[C@H]1c1ccccc1Cl)C(C)C 1659149909 QMCVUZSGFZCGEK-SZMVWBNQSA-N 289.850 4.614 30 10 CJEE C=C(C)CN[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1659903465 KRBYVQOUONZOPR-DLBZAZTESA-N 257.421 4.515 30 10 CJEE C=C(C)CNCc1c(Cl)cccc1Oc1ccccc1 1662442551 UXWUJHAFSNNXQN-UHFFFAOYSA-N 287.790 4.798 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC2CC(C)(C)CC(C)(C)C2)C1 1664035511 DZTHVQJZSQNDIO-HUUCEWRRSA-N 263.469 4.926 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1CCCC(C)(C)O1 1665842402 SFHJGHOEAIIEJZ-JKSUJKDBSA-N 269.473 4.673 30 10 CJEE C=CCCCCCCCCNC(=O)OC1CCCCC1 1669533235 UCDPVTNUIRUSMC-UHFFFAOYSA-N 281.440 4.962 30 10 CJEE N#CCN(CCC1CCCCC1)C1CCCCCC1 1883260081 ZBMKKAHVFHKQKX-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE C=C1CCC(C[C@@](C)(O)[C@@H]2CC3CCC2CC3)CC1 1886400463 BJBWHWDJHVDMDG-XAWIXRBMSA-N 262.437 4.700 30 10 CJEE C=C(c1ccccc1)[C@@H](N)Cc1c(Cl)cccc1Cl 1888705687 OCNJDVWQRYUWTE-INIZCTEOSA-N 292.209 4.577 30 10 CJEE C=C(CC)Cc1cc(C)c(Br)cc1C 1900248974 SLPLVTHBXOUVFC-UHFFFAOYSA-N 253.183 4.575 30 10 CJEE 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30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]1C(C)(C)C)NCC 2321099767 VHRJYBUUPDVFSO-KFWWJZLASA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C(F)F)cs1 2321100342 AJELUIMTWBQLTQ-GXTWGEPZSA-N 273.392 4.939 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1ccc(SC)cc1 2321107612 IBALFYJXHGQAKW-OAHLLOKOSA-N 263.450 4.661 30 10 CJEE Cc1ccccc1CSCC1(CS)CC(C)(C)C1 2321753895 XAWJPQPMGPDZFO-UHFFFAOYSA-N 280.502 4.964 30 10 CJEE C=CCC(CC=C)Sc1cc(C)ccc1CNCC 2335234489 HKTPDMQEZVKRRE-UHFFFAOYSA-N 275.461 4.717 30 10 CJEE CCN[C@@H](C#CC1CC1)c1cc(-c2cccs2)cs1 2337572100 ATRXVEXXECVIKH-AWEZNQCLSA-N 287.453 4.541 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CC[C@@H](C)C(F)F 2338616187 PDFOWRFYVFTNQU-YJYMSZOUSA-N 295.439 4.851 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@]12CCCC[C@@H]1CC2 2338750917 XKUHMMBGTKOAIV-KZNAEPCWSA-N 261.453 4.703 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@H]1C[C@H]2CCC[C@H]1CC2 2338928636 BWTCQVPFMGLQMS-AVEIZBFRSA-N 261.453 4.537 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339027203 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CC[C@@H]1CCC[C@](C#N)([C@H]2CCC[C@@H]2OC(C)C)C1 2344874986 RCIHOISFJUXZCI-QZWWFDLISA-N 263.425 4.690 30 10 CJEE CCCCN(c1ccc(C#N)c(SC)c1)[C@H](C)CC 2353837827 LDEJROFTBJAOEG-CYBMUJFWSA-N 276.449 4.685 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CCC[C@@H]1C[C@@H]1C)NC 2356074646 YQOANULTHIUOBF-BSDSXHPESA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1OC[C@@H]2CCC[C@H]12 2358456116 XIUNFSMCYJTMAB-XSLAGTTESA-N 282.468 4.693 30 10 CJEE CCCCCCCCCCCOC[C@H]1C[C@@H]2CC[C@H]1N2 2358905392 RKLFJUPKHMGCFC-FGTMMUONSA-N 281.484 4.674 30 10 CJEE CC[C@H](C)c1ccccc1OCc1cccc(C#N)c1 21520056 ZECPRAQPCFKOKO-AWEZNQCLSA-N 265.356 4.651 30 10 CJEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1F 36973054 NYCSBXGMBHQDGL-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1 37306478 PABCQRBWAGXSME-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE N#Cc1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F 37306503 FFHKRRJKLWUEDK-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE N#C[C@@H](Nc1ccccc1F)c1cccc2ccccc12 37938932 HKFNTSYFJNEPQX-GOSISDBHSA-N 276.314 4.656 30 10 CJEE N#C[C@H](CCOc1cccc(Cl)c1)c1ccccc1F 57686641 CPCTUIWWSATMFC-LBPRGKRZSA-N 289.737 4.555 30 10 CJEE CCCCCCCN[C@@H](C)c1ccccc1Cl 59058321 RWCWAVNLBFTIHF-ZDUSSCGKSA-N 253.817 4.961 30 10 CJEE CCCCCCCCCOc1ccccc1[C@H](C)N 59088187 QXJTXCXVHLFXCX-HNNXBMFYSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(F)ccc1F 59290886 SIKANLDEVOWBLR-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCc1oc(-c2ccc(O[C@H](C)CC)cc2)cc1C#N 77077178 SOFHLAPNTORJFG-GFCCVEGCSA-N 269.344 4.558 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 80141655 YLJSUQQRFNWLPR-FDQGKXFDSA-N 286.394 4.633 30 10 CJEE CCC(CC)(CC)Nc1ccc(C#N)c(C(F)(F)F)c1 86643781 DKXRYHARKUZQAW-UHFFFAOYSA-N 284.325 4.958 30 10 CJEE CC(C)(C#N)c1ccc(NCC2CCCCCC2)cc1 89557405 XYHXVLLMQTUNTA-UHFFFAOYSA-N 270.420 4.870 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(F)c(F)c(F)c1 97208567 KPDBEDXLRNXPTC-CQSZACIVSA-N 271.326 4.501 30 10 CJEE CCCCCCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 105942099 TZEDXRYQLWRTFH-GOEBONIOSA-N 263.425 4.853 30 10 CJEE CCCCCCCCCOc1ccc(N(C)C)cc1 107072696 XSZGOCYJIQXELV-UHFFFAOYSA-N 263.425 4.882 30 10 CJEE CCC#CC[C@H](C)c1ccc(Br)c(C)c1 107608933 LFLBPDRVLAKIIZ-NSHDSACASA-N 265.194 4.665 30 10 CJEE CCCCCCCCNc1ccc(C)cc1OCCOC 109910363 IITREICCJIEVIQ-UHFFFAOYSA-N 293.451 4.793 30 10 CJEE CCN(c1cccc(F)c1)c1ccc(C#N)cc1Cl 110257195 GFWZRCRKFJHHGQ-UHFFFAOYSA-N 274.726 4.509 30 10 CJEE CCCCCCCC[C@@H](COCCC)NCCC 110518397 YMOKQZKYLZHEEW-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@H](Cc1ccccc1OC)NC 112893656 IYTLIPPPTQNECH-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CC[C@@H]1O2 114189777 RDNQJJVPRMAKKH-FJIDUMEYSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC(=O)Cc1ccc(F)cc1F 114782480 IMOZJKRKCNFJOT-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(CC)N(CC)CC 118156125 LBHRTYJFYGTDBC-ROUUACIJSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccccc1CC 122256948 OMHKRGCDKTUGSR-SFHVURJKSA-N 276.468 4.894 30 10 CJEE C=C(CC)CNc1ccc(Br)c2ccccc12 123124603 MGYLTENWXXWNIQ-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc2cccc(F)c2o1 125042363 FLEWJDCMZRSRAX-OAHLLOKOSA-N 292.398 4.827 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)ccc2Cl)s1 125683910 JPRZGUCLUHKOJL-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCCCC[C@H](NC)c1ncccc1CC 127209127 WCOYHXYSMVGFTM-INIZCTEOSA-N 262.441 4.655 30 10 CJEE COc1cc(C#N)ccc1N[C@@H]1CCC[C@@H](C(C)C)CC1 129809314 JCRYESQKOGZHDI-HZPDHXFCSA-N 286.419 4.584 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 130952442 JPQRMFGOFHECEA-CMPLNLGQSA-N 282.309 4.568 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccc(C(F)F)cc2)cc1 131478847 SRPXOWNRGDFJKJ-HNNXBMFYSA-N 272.298 4.609 30 10 CJEE CCCCCCCCC(=O)Nc1cc(C)c(O)c(C)c1 138413243 QBCAOLNNYBHMAQ-UHFFFAOYSA-N 277.408 4.698 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(C)nc1C 139597742 MRKWZGJHCUZRJK-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC(C)(C)C[C@@H]1C 156059936 SFLRVGUBACBKMV-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE CCCCCCCC[C@H](N)c1c(C)oc(C)c1C 158983155 OZKWKLTXBBPJIJ-HNNXBMFYSA-N 251.414 4.955 30 10 CJEE CCN(Cc1ccc(C#N)cc1Cl)c1ccc(C)cc1 162896723 YLMNKGXAQRWHTA-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE Cc1ccc(C)c(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164493782 QOFMMFDYDSIRQG-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 168270808 WMQZFBHIVBMFRJ-MRXNPFEDSA-N 268.335 4.651 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(C)c1F 168359380 GTYHGJRCRBAADK-OAHLLOKOSA-N 252.373 4.918 30 10 CJEE O=C(/C=C/c1cnc(C2CCCC2)s1)c1ccsc1 178323991 MLVFQLZXOIGWSV-AATRIKPKSA-N 289.425 4.758 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(OC)c(C)c1 213585718 RBWPNRWAKKHQEJ-MRXNPFEDSA-N 263.425 4.672 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccc(Br)c(C)c1 229735399 PZADDBIYHFMXBM-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCCCCCC(=O)[C@H]1CSc2ccccc21 232565833 ZDBVHKDHMOFLHK-AWEZNQCLSA-N 260.402 4.582 30 10 CJEE C=CCCCCC[C@H](NN)C1CCC(C(C)(C)C)CC1 232569843 DCSFYPNZXRYLTP-JCYILVPMSA-N 280.500 4.807 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCC[C@H]1OC 232959256 XISJAIBBKCZYFF-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1C(C)C 250831529 RMGLLZKZLJLBCY-ROUUACIJSA-N 296.543 4.691 30 10 CJEE C[C@@H]1CC[C@@H](Nc2cccc(OCCCC#N)c2)C[C@H]1C 251825929 NCYYPLBMWOGGDI-BFYDXBDKSA-N 286.419 4.606 30 10 CJEE C[C@H](F)c1ccc(C(C)(C)CC#N)cc1Br 260241794 JTQQRNGPBBSYAR-VIFPVBQESA-N 284.172 4.671 30 10 CJEE C=CCCCCCCN[C@H]1CCCC[C@@H]1C(C)C 310910356 HBHDYKMYVBTAQC-SJORKVTESA-N 251.458 4.927 30 10 CJEE Cc1ccccc1N[C@@H](C#N)C1CCCCCCC1 311274322 DPTFLFLBWDRRGF-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE Cc1ccc(Nc2nc(C)c(C#N)cc2Cl)c(Cl)c1 311636260 AHZRVKBCKBMGPZ-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCC[C@H]1NC(=O)C12CCCCCC2 312964546 ULWRMIALHVJLRA-MRXNPFEDSA-N 279.468 4.966 30 10 CJEE N#CCc1cccc(N[C@@H]2CCc3sc(Cl)cc32)c1 313436902 MKURVVMOIPEYDN-CYBMUJFWSA-N 288.803 4.567 30 10 CJEE C=C(CN[C@H]1CCCCC12CCCC2)c1ccccc1 383693752 AZVHCKBVLQVHOV-SFHVURJKSA-N 269.432 4.792 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)ccc1Cl 385084110 XBRWYEXNALXIAK-ONERCXAPSA-N 298.213 4.747 30 10 CJEE CCCCCCCCC(=O)CCOCc1ccccc1 395532911 KVKOAFFEQYLOCN-UHFFFAOYSA-N 276.420 4.913 30 10 CJEE C=CCC(C)(C)COCCC(CC)(CC)CNC1CC1 395996180 XSRCZVZXXKWBNY-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE C=C(C)CON[C@H](C)c1ccc(Cl)c(Cl)c1Cl 400925461 LIFHGDYIUKSCIZ-MRVPVSSYSA-N 294.609 4.805 30 10 CJEE C=CCC[C@H](CC)NCc1cccc(-c2cccnc2)c1 467638095 DMVFAEAXYRGOAC-IBGZPJMESA-N 280.415 4.583 30 10 CJEE N#Cc1cc(F)c(F)cc1-c1cc(Cl)ccc1Cl 514260992 QKCOPQKJQWOQBW-UHFFFAOYSA-N 284.092 4.810 30 10 CJEE CCCc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 610812833 UXLPXBNGAXUAEE-AWEZNQCLSA-N 296.389 4.501 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 651704358 GTNUCJKUXIPFAD-AHRSYUTCSA-N 292.426 4.505 30 10 CJEE CCCC1([C@H](O)C2(C#N)CCCCCCC2)CCC1 686131073 DGLYXYZMILLAAG-HNNXBMFYSA-N 263.425 4.572 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(F)cc1Cl 686680692 CSTVZOXFTSUMNL-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C#CCCCCC[C@@H](NCC)c1sccc1CC 686689471 MIPUEBUILUWMMN-OAHLLOKOSA-N 263.450 4.545 30 10 CJEE CN(C[C@@H](CS)C(C)(C)C)[C@@H]1CCCC(C)(C)CC1 697827741 JGIUPOUZTFBAKH-LSDHHAIUSA-N 285.541 4.869 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H]2CCCC[C@@]2(C)O)C1 699325078 UXUDMYFQKOGLSI-RHSMWYFYSA-N 277.452 4.674 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CCCC(C)C 703967580 BJBJFSRXVCAEOX-HUUCEWRRSA-N 296.455 4.740 30 10 CJEE C[C@](O)(C1(C#N)CCCCCCC1)[C@@]12CCCC[C@@H]1C2 709198377 FXXAMFIVELWIFR-SOLBZPMBSA-N 275.436 4.572 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@H]1CCCC(C)(C)C1 709236959 JJFFBJSJCJNCLV-ZDUSSCGKSA-N 276.811 4.617 30 10 CJEE CCCCCCCCCNC[C@@H]1CC(C)(C)OC1(C)C 709752035 VARHREGFGOFGGS-INIZCTEOSA-N 283.500 4.920 30 10 CJEE CCC1(CC)CS/C(=N/[C@H](C2CCCC2)C2CCC2)N1 711843250 QIGAEKSCLUVDHM-OAHLLOKOSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCN(C)[C@H](C)CNC(C)(C)C 714571402 BKYGJFHMUTVJDL-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE C=C1CCC(C[C@@H](O)Cc2ccc(F)cc2Cl)CC1 724556380 NHLWVLHEBUHPRU-OAHLLOKOSA-N 282.786 4.519 30 10 CJEE CCC[C@@H](CS)CSCc1ccc(Cl)o1 757170288 PDGSMEITUTYRQE-VIFPVBQESA-N 264.843 4.512 30 10 CJEE C=CC[C@@H](OC(=O)[C@@H](C)c1cccs1)c1ccccc1 778738268 VUQYYOZBRCMPMR-DZGCQCFKSA-N 286.396 4.712 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)c2ccccc21 821996100 DLTOWHBKHCOWML-QGWWYQLQSA-N 269.432 4.959 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H](C)c1cccc2ccccc12 1124145349 TWAWTJQJGPXBPR-CQSZACIVSA-N 281.399 4.619 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCCCCC1)c1ccccc1 1124662411 MEVNTWJWYAMAMK-GOSISDBHSA-N 285.431 4.529 30 10 CJEE CC(C)(C)c1cccc(Oc2snc(Cl)c2C#N)c1 1161929651 HGDRZKFLEFXPTC-UHFFFAOYSA-N 292.791 4.758 30 10 CJEE C=CCCCCN1CC(C)(C)c2cc(Cl)ccc21 1175195160 OJYOMUDNHHCXKZ-UHFFFAOYSA-N 263.812 4.794 30 10 CJEE C=CC1CCN(Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1191013823 OUGDYHWJMAHAJJ-CYBMUJFWSA-N 297.364 4.750 30 10 CJEE C=CCC1(NCc2cccc(C(F)F)c2)CCCCC1 1196953179 SMNXNTSSUHYMMC-UHFFFAOYSA-N 279.374 4.993 30 10 CJEE C=CCCCCN(Cc1ccccc1)CC1CCC1 1307427773 IWPWWHCBISWGNK-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=C(C)CCN(Cc1ccccc1)Cc1ccccc1C 1307436245 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4.929 30 10 CJEE C=CCCC[C@@H](C)NCc1c(C)oc2ccccc12 398158490 HHBNYHXCLPJCIZ-CYBMUJFWSA-N 257.377 4.576 30 10 CJEE CCCCCCCOc1ccc(CNCCC)c(F)c1 404253449 LYEVREKTMHAYDY-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(Cc1ccsc1)c1ccccc1 466417230 PABUMTPUDSSQBU-HNNXBMFYSA-N 299.439 4.884 30 10 CJEE Cc1ccc(Cl)c(C(=O)/C=C\c2ccccc2)c1 642882740 DRYWUQQMSBSRPL-NTMALXAHSA-N 256.732 4.545 30 10 CJEE C#CCCCCC[C@]1(O)CCC[C@H](CCC)CC1 686683737 NSXQKUNONLKYFI-IRXDYDNUSA-N 250.426 4.682 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](C)c1ccccc1 686690029 OEWRLDVTERGWCP-IEBWSBKVSA-N 271.448 4.742 30 10 CJEE C#CCCCCC[C@]1(CNC(C)(C)C)CC[C@@H](C)C1 686702161 CLEODOIKEZDJHW-AEFFLSMTSA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@@H](C[C@@]1(C)CC1(F)F)NC 689122011 DLJVATLNGGIGQM-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1ccc(C#N)c(Cl)c1 689779548 VXZGQOAASKGUKM-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE C=CCC1(n2c(S)nc3cccc(Cl)c32)CCCC1 690711835 YNEBBRIOQJTINE-UHFFFAOYSA-N 292.835 4.824 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(F)c(Cl)c1 701863916 JBGYEAQYKYCWBA-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCCCCCCNc1cccc(SCC)c1C(=O)O 703748067 FULIYKGEPFGLHO-UHFFFAOYSA-N 295.448 4.879 30 10 CJEE CCCCCCCCC1(N)C2CC3CC(C2)CC1C3 704481837 QNJCWDGQAKSENT-UHFFFAOYSA-N 263.469 4.891 30 10 CJEE C=CCCSCCN[C@H](C)c1ccc(C(C)C)cc1 710172512 RCJMKELARKVHGZ-OAHLLOKOSA-N 277.477 4.770 30 10 CJEE C=C(Cl)C[C@@H](Cc1ccc(Cl)cc1Cl)NCC 710560009 XXFNKOBJFOWJQO-LBPRGKRZSA-N 292.637 4.657 30 10 CJEE C=C(C)Cc1cc(-c2ccccc2)cc(Cl)c1O 711297951 RZXKBOBYNNUNTA-UHFFFAOYSA-N 258.748 4.831 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC(C)(C)OC1(C)C)NC 711389958 YILMCAMSAYLMNN-CVEARBPZSA-N 283.500 4.919 30 10 CJEE N#CC1(CCCOC(F)(F)F)CCCCCCC1 713397194 VHNCOYIBUMJJBB-UHFFFAOYSA-N 263.303 4.557 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1/N=C1/NC2(CCCC2)CCS1 717533695 NMHPLELWOSWJFZ-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H]2CCCCCC2(C)C)N1 718959444 DLYSTDATFPSAPL-XJKSGUPXSA-N 282.497 4.597 30 10 CJEE O=C(C=C1CCCCC1)c1cscc1C(F)F 720282531 QUIAHHFOZZKZIP-UHFFFAOYSA-N 256.317 4.759 30 10 CJEE CC(C)C1CCC(C#N)(C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 720882898 HFGPAKIDDSOYMS-ONWVLEABSA-N 275.436 4.690 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H](CC)c2ccccc2)CC1 724603619 YIAISVGKNRAYSE-ZWKOTPCHSA-N 257.421 4.644 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C/c1ccsc1 800153411 JBOGKDGQAMLXNN-MDZDMXLPSA-N 283.396 4.519 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCCCC1)c1ccccc1 1124662413 MEVNTWJWYAMAMK-SFHVURJKSA-N 285.431 4.529 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)cc(C)c1 1129466756 XVKOXNZDVDIHLR-UHFFFAOYSA-N 273.420 4.560 30 10 CJEE C=CCCC(C)(C)NC(=O)c1csc2cc(C)ccc12 1131385303 XLNBZUJBLTVSGU-UHFFFAOYSA-N 287.428 4.684 30 10 CJEE C=CCCCCCN1c2ccccc2CC[C@@H]1CC 1192043455 UOCNFSBBOIUSHA-KRWDZBQOSA-N 257.421 4.964 30 10 CJEE C#CCCCCCCN1CCC(C2CCCCC2)CC1 1195860755 FOXUPOSDNXWOBG-UHFFFAOYSA-N 275.480 4.862 30 10 CJEE C=CCN(Cc1cc2c(O)cccc2s1)c1ccccc1 1205442967 URNYYWKKDKHADU-UHFFFAOYSA-N 295.407 4.800 30 10 CJEE 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C=CCCCN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 1474491020 CAJZOUSABJMIMG-ZDUSSCGKSA-N 285.353 4.582 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ccc(F)c(C)c2)C1 1474540208 BZESBZWDJSBOPF-IIAWOOMASA-N 261.384 4.530 30 10 CJEE C=C(CC)CN[C@H](C)CCCOc1ccc(Cl)c(C)c1 1474582100 ZVFSTBFTIFEBAZ-OAHLLOKOSA-N 295.854 4.752 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CC[C@H](Cc2ccccc2)C1 1474697588 ZLJXCRAJRMZWSW-MOPGFXCFSA-N 285.475 4.980 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)c1 1477188038 CNSSVBKGUJZVKN-MRXNPFEDSA-N 284.403 4.564 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(-c2ccccc2)c1 1525565016 QOKFOBYIKJIUPH-UHFFFAOYSA-N 265.356 4.648 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCc2cc(Cl)cc(C)c21 1532166343 KDIVEHOSTYWZJJ-ZDUSSCGKSA-N 291.822 4.530 30 10 CJEE C=CCCC(C)(C)CNC(=O)/C(C)=C\c1ccc(C)cc1 1534589324 WJLAPLNOLSULRF-SSZFMOIBSA-N 285.431 4.507 30 10 CJEE C=CCC(CC=C)C(=O)Nc1cc(C)cc(C(F)(F)F)c1 1538460559 FFAFWPINJVXASL-UHFFFAOYSA-N 297.320 4.721 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](C)c1ccccc1C)c1ccccc1 1538938533 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BJXGCYKFPLDELN-NRFANRHFSA-N 293.454 4.890 30 10 CJEE C=CCCC1(CNCc2ccc(SC)o2)CCCC1 1651322249 PFQHZRHESPEZFI-UHFFFAOYSA-N 279.449 4.618 30 10 CJEE C#Cc1ccc(CN[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 1652497160 MGPRUKCNHPEANM-HUUCEWRRSA-N 297.829 4.603 30 10 CJEE C#CCCCCCCOc1ccc(C)c(Cl)c1 1652896692 ROVBOGCAKBLCQX-UHFFFAOYSA-N 250.769 4.611 30 10 CJEE C=CC[C@H](CC)NC/C=C/c1cc(C)c(C)cc1C 1656163702 XIZOBBFQQDEISR-LNENJAERSA-N 257.421 4.569 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(C)c(Cl)c1 1656906561 RIVPJPAZZKVRKQ-UHFFFAOYSA-N 265.828 4.730 30 10 CJEE C=C(C)c1cccc(NCc2c(C)cccc2C)c1 1657094855 XKAKIGBMFGDGIB-UHFFFAOYSA-N 251.373 4.949 30 10 CJEE C=CCCC1(CNCc2ccc3c(c2)CCC3)CCCC1 1658277900 LTFNUOORUAVWDZ-UHFFFAOYSA-N 283.459 4.792 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H](C)Cc1ccc(F)cc1 1658330677 QHAXCMMVAOOUNP-OXJNMPFZSA-N 297.417 4.534 30 10 CJEE C=CCCC[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1ccccc1 1658504324 VKNPJXHTJHABLO-NBMJBFSESA-N 287.447 4.630 30 10 CJEE C#C[C@H](N[C@H]1CC=C(c2ccc(Cl)cc2)CC1)C(C)C 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281.827 4.573 30 10 CJEE C=C([C@@H](NCC)[C@H](C)c1ccc(C)cc1)C(C)(C)C 2232082484 VECBAZQGQZUQIM-PBHICJAKSA-N 259.437 4.679 30 10 CJEE C=CCCC[C@@H](CC1CC(OC(C)(C)C)C1)NCCC 2232959418 LYFLDWJHKDWIGK-CGZBRXJRSA-N 281.484 4.695 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2233643884 AWSGSEYIAXQIGG-KCITZHQASA-N 275.480 4.927 30 10 CJEE C=CCCCCCCC[C@H](NN)c1cc(F)cc(Cl)c1 2235525821 DWFLAAWJYKGVDH-INIZCTEOSA-N 298.833 4.900 30 10 CJEE C=CCCCCCCC[C@]1(CNCC)CCO[C@@H](C)C1 2235527678 XRLSSPNVLZROPZ-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2235533589 BSEKHMPGMDDOOZ-PMPSAXMXSA-N 285.422 4.879 30 10 CJEE C=CCCCCCCCC(=O)C[C@H]1CC2(CCC2)CO1 2235540524 YBEZFKUJZDHRCK-KRWDZBQOSA-N 278.436 4.822 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(C)CC2(CC(F)(F)C2)C1 2239151507 DWILATRSSIPXNC-AWEZNQCLSA-N 285.422 4.927 30 10 CJEE CC(C)(C#N)CCC[S@](=O)CCCCCCCC1CC1 2239348211 YYADDBKPBLRCJN-HXUWFJFHSA-N 297.508 4.816 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](O)C12CCCC2 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FJXUSMHSHNAUAX-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H]1C[C@H]2CC[C@H]1C2 2293684156 UEXUSPPXIUYWGG-XLAORIBOSA-N 281.484 4.517 30 10 CJEE C=CC[C@@H](C)[C@H](OCCCN)c1ccc(C(C)(C)C)s1 2293751767 UDBCCULYCDGSMA-CJNGLKHVSA-N 295.492 4.664 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1ccc(C)cc1 2293829223 SZYKMFAWCNYIJJ-GOSISDBHSA-N 275.436 4.538 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccncc1Cl 2294352595 WTCCXSSCTVSKIN-MRXNPFEDSA-N 298.858 4.502 30 10 CJEE C#CCCCCC[C@@H](CCCCCCC)OCCCN 2294463138 BYFGARARVSOHNP-SFHVURJKSA-N 281.484 4.665 30 10 CJEE Cc1ccc(OCc2ccsc2C#N)c(C(C)(C)C)c1 2294718386 BLNMGLFKZGYTBO-UHFFFAOYSA-N 285.412 4.805 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@@H](C)C(C)C 2295523527 ZWLPDBXPUSZYQQ-ZWKOTPCHSA-N 284.532 4.821 30 10 CJEE C#C[C@@H](C)[C@](C)(CCCCCCCCC)OCCCN 2295687942 ZGJLKDFHRXLKQD-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE C#CCCCCCN[C@@H](c1ccccc1)C1CCCC1 2295714267 MHBLYOQTIKVNIP-IBGZPJMESA-N 269.432 4.701 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1C[C@H](CC)C[C@](N)(C#N)C1 2295762811 BOZXPOVASDOOCU-MWDXBVQZSA-N 296.524 4.736 30 10 CJEE Cc1ccoc1C(=O)C=Cc1cnc(C2CCCC2)s1 2301950039 HHYJOZIVNLEMGH-UHFFFAOYSA-N 287.384 4.598 30 10 CJEE C=CCC[C@H](C)C(=O)c1c(Cl)cc(F)cc1Cl 2302210136 OPCKPDGIGIDOHQ-QMMMGPOBSA-N 275.150 4.918 30 10 CJEE C=C(C)C[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2302871285 IUFKCMXCJQEKSG-LBPRGKRZSA-N 276.182 4.749 30 10 CJEE C=CC[C@H](C)Sc1cccc(Cl)c1C[C@H](N)CC 2313637037 AIDXOPBLBPZWKV-NWDGAFQWSA-N 283.868 4.677 30 10 CJEE CC(C)CC(CC(C)C)OCC1(C#N)CCCC1 2313809702 YQWHTUMIJPZONG-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE C=CC1(NCc2ccc(Cl)c(Cl)c2C)CCCC1 2316684160 UCCPSSKATDFNGX-UHFFFAOYSA-N 284.230 4.890 30 10 CJEE CC1=C(C)C[C@@H](COCC2(CS)CCCC2)CC1 2320239251 CEJICANJMAQLJE-HNNXBMFYSA-N 268.466 4.630 30 10 CJEE C=CCC(C)(C)[C@H](CCC(F)(F)CC)NCCC 2321107537 HEYZGOCUEGMABA-ZDUSSCGKSA-N 261.400 4.782 30 10 CJEE CCCCCCCCC[C@]1(F)CCN[C@@H](C)[C@@H]1C 2321336458 WPBJHSVEJHEPBC-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE C[C@@H]1C[C@](C#N)(CCC2(C(F)(F)F)CC2)CCS1 2321547950 RXJAZICRKUTNQL-MNOVXSKESA-N 277.355 4.535 30 10 CJEE C[C@H](OCC1(CS)CC(C)(C)C1)C1CCCCC1 2321753359 SLVFKVKOYFHJNN-ZDUSSCGKSA-N 270.482 4.708 30 10 CJEE N#Cc1cc(-c2cc(Cl)c(C(F)F)s2)ccc1O 2321878636 GDXUNVLZLVVRDO-UHFFFAOYSA-N 285.702 4.583 30 10 CJEE CC#CCCC[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2327973883 DDOBBSGVVUOHJP-HNNXBMFYSA-N 285.214 4.703 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1C[C@H]1C)OCCN 2335012591 BGRBAZGZBGPYNU-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccccc1Cl)[C@H](C)N 2335100858 OBYXKIQNZBFWRJ-LRDDRELGSA-N 295.879 4.982 30 10 CJEE C=CC[C@H](C)OC(=O)c1sc2cc(F)ccc2c1Cl 2335110624 MLZODDYEMYMNIE-QMMMGPOBSA-N 298.766 4.815 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C(CC2CC2)CC2CC2)C1 2335220700 COJTVEFQNWCSSI-KDOFPFPSSA-N 262.437 4.988 30 10 CJEE CC#CCCC[C@H](NCC)c1c(F)ccc(C)c1Cl 2335583156 XLKLMGBVQXJSCR-AWEZNQCLSA-N 281.802 4.632 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H]1CC2CCC1CC2 2337095394 ABNVHWAFKAUAPM-JPZDYKCISA-N 261.453 4.536 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)C[C@H]2C=C[C@H]1CCC2 2338626369 WCRUJWLGYHSWPW-BFYDXBDKSA-N 262.393 4.570 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1C(C)(C)C1(C)C 2338733700 VBSVHXMJVIECSV-HNNXBMFYSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ccccc1C 2338738651 OAGRNACTFWFHOR-GOSISDBHSA-N 257.421 4.804 30 10 CJEE CC(C)[C@H](C)[C@H](C)Nc1ccc(C(C)(C)C#N)cc1 2340263437 PGWWOMKSTYCMPP-KBPBESRZSA-N 258.409 4.580 30 10 CJEE Cc1c([C@@H](O)[C@]2(C#N)CC=CCC2)ccc(Cl)c1Cl 2340460442 QXNQKSMJSCJZDK-HUUCEWRRSA-N 296.197 4.585 30 10 CJEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(C)c1)NCCC 2344349433 SQKVISUEIHUMHD-GUYCJALGSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(C)(C)OC)NCCC 2344379894 PRUVXLAYXPBSPG-RDJZCZTQSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)C[C@H](C)[C@@H]1C 2351916606 ZESUBQVNZZTAIL-OFQRWUPVSA-N 284.465 4.746 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCCCc1ccccc1 2352165602 ICVTVOZDJQDZFF-QGZVFWFLSA-N 280.477 4.618 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CC[C@@H]2C[C@@H]2C1 2353912560 YFTKCIRMOHAFKT-XDNAFOTISA-N 280.500 4.785 30 10 CJEE C[C@@](C=O)(C[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 2357779036 YZWLEDLLEJRKFU-WDSOQIARSA-N 270.416 4.750 30 10 CJEE C=C(C)CN(CC)c1ccc(C)c(Cl)c1CNCCC 2360539136 WXBSIVCQNSNGNV-UHFFFAOYSA-N 294.870 4.550 30 10 CJEE N#Cc1c2ccccc2c(Br)c2ccccc12 34657433 IKOJITSFJCWVSI-UHFFFAOYSA-N 282.140 4.627 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973152 HOLFTLFJHPFTIR-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CCCCCCCOCC(=O)c1ccc(Cl)s1 59526084 BRBUQNVLUWYXKJ-UHFFFAOYSA-N 274.813 4.571 30 10 CJEE Cc1cccc(Cl)c1N[C@H](CC#N)c1ccccc1 90531261 TXLOAWWHHUXIFK-OAHLLOKOSA-N 270.763 4.715 30 10 CJEE CC1CCC(C#N)([C@@H](O)c2csc3ccccc23)CC1 91883287 AWWUVTULUIRYLX-PDOTXMHQSA-N 285.412 4.655 30 10 CJEE CC[C@@H](CS)COc1ccc(Cc2ccccc2)cc1 94584967 SZWQDXYHWKYMOG-OAHLLOKOSA-N 286.440 4.612 30 10 CJEE CC(C)(C#N)CCCSc1cc2ccccc2[nH]1 94629353 SRTVWZCUTIAYOD-UHFFFAOYSA-N 258.390 4.590 30 10 CJEE CCCCCCCCCCNCCc1ccco1 105838836 XXTDZZBBFYXOGT-UHFFFAOYSA-N 251.414 4.552 30 10 CJEE CCCCCCC[C@H](CN)N(CC)c1cccc(C)c1 110017029 OLRPRGLITKMWHE-GOSISDBHSA-N 276.468 4.509 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC(C)(CC)CC2)C1 110265610 VSTMXVZPFXRGCU-YESZJQIVSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCCN1CCCC[C@@H]1CN 111235630 XJPVXBSCMMWHCH-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CCCCCCCCCCN1C[C@@H](C(C)C)NCC1(C)C 114060162 GFWGQMNTTQGONX-SFHVURJKSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1CC(C)(C)NCC12CCCC2 114061201 JAFTZRFDDCAVDQ-UHFFFAOYSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCCC(=O)N(CC)C[C@@H](C)C#N 115857488 JUIWMFKLFYTDQS-KRWDZBQOSA-N 294.483 4.915 30 10 CJEE CCCCCCCCC[C@]1(CN)COc2ccccc2C1 116254416 VMIFCDWUFKSPDA-IBGZPJMESA-N 289.463 4.707 30 10 CJEE CCCCCCC[C@@H](N)c1cc(F)c(C)cc1F 122069288 FFPWTLUVQXKCNV-OAHLLOKOSA-N 255.352 4.634 30 10 CJEE C=CCCC[C@@H](NCCC)c1coc2ccccc12 123051350 CPEPZESYVDHQIM-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE CCc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)s2)cc1 134663225 CMTUAWFPTITTCE-QWHCGFSZSA-N 284.428 4.594 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OC)c([N+](=O)[O-])c1 136451383 VLHHMEXVKXKCDQ-CYBMUJFWSA-N 294.395 4.764 30 10 CJEE CCCCCCCCCCC#CCC#CCCC(=O)OC 143335412 FSCMHVFBJLRAHX-UHFFFAOYSA-N 290.447 4.867 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 163723457 GAOHGTUQXCAYHG-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@H]1C1CC1 166365104 MUYWUCDOYFJCEJ-HKUYNNGSSA-N 295.511 4.920 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(F)c(OC)c1 168336378 UOLMJOJYMZYGKZ-HNNXBMFYSA-N 268.372 4.618 30 10 CJEE N#Cc1c(Cl)[nH]c(Cl)c1-c1ccc(Cl)cc1 196859086 SFLUXOWNIOCVRR-UHFFFAOYSA-N 271.534 4.514 30 10 CJEE CCCCCOc1ccc(C#Cc2ccc(F)cc2)cc1 204404431 QEZNXFQJURYHSI-UHFFFAOYSA-N 282.358 4.795 30 10 CJEE Cc1ccsc1[C@@H]1Nc2ccc(C#N)cc2[C@@H]2C=CC[C@@H]21 226655975 OEDUUOSGYKPLKO-JKIFEVAISA-N 292.407 4.755 30 10 CJEE CCCCCCCCCC(=O)[C@H](OC)C(C)(C)C 227425460 BCBHOSAZKDOEDV-HNNXBMFYSA-N 256.430 4.757 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)c1cc(F)cc(C#N)c1 227617033 YAMHQTZYJJRFQH-LLVKDONJSA-N 288.753 4.548 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(Cl)ccc1F 229069898 HFBRDRPIWJBJIP-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 230989212 GEIBSKTUJCYYBI-GXTWGEPZSA-N 276.811 4.838 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(F)c(F)c1F 234459787 MMYDVCSCQOLBHU-CYBMUJFWSA-N 271.326 4.501 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](C)[C@H]1CN 250837528 VUHLGQXOEGZCNT-RTBURBONSA-N 296.543 4.967 30 10 CJEE CC#CCC[C@H](NCC)[C@H](c1ccccc1)[C@H](C)CC 253041600 LMLAHNYNICFAMI-NEWSRXKRSA-N 271.448 4.598 30 10 CJEE C[C@H]1CC(n2ccc3ccc(C#N)cc32)C[C@H](C)C1 311268329 XLWRGOLFVDAAHB-CHWSQXEVSA-N 252.361 4.510 30 10 CJEE C=C(c1ccc([C@@H](C)NCCC)c(Cl)c1)C(F)(F)F 311422938 FJMCETSOSQJCGE-SNVBAGLBSA-N 291.744 4.976 30 10 CJEE C=C(C(=O)[C@H](c1ccccc1)[C@@H](C)CC)C(F)(F)F 311426743 GCDOIIYTERNMFE-GWCFXTLKSA-N 270.294 4.504 30 10 CJEE O=CC1(Cc2ccc(C(F)(F)F)cc2)CCCCCC1 316392253 FTZPCICPKQKVOX-UHFFFAOYSA-N 284.321 4.787 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1ccc(Cl)cc1Cl 316700261 BBKFLFSIXXAQFX-IINYFYTJSA-N 271.187 4.541 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CCCCC1(F)F 316789477 NQEQOGOEBNAHLE-HZSPNIEDSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CSc3ccccc32)C1 316840547 RBIIHUHPMNHDCJ-CPUCHLNUSA-N 274.429 4.661 30 10 CJEE CCSc1cccc(N[C@@H](C2CCC2)C2CC2)c1C#N 324947973 ZVKVXDMCEVTUBC-KRWDZBQOSA-N 286.444 4.661 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2csc(Cl)c2)C1 378997656 QDANNWZROSNELF-MFKMUULPSA-N 253.798 4.664 30 10 CJEE C=CC[C@H](NCCC)c1ccc2ccccc2c1C 384448369 ARGTZRDTVXQASY-SFHVURJKSA-N 253.389 4.765 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1ccc(C(F)(F)F)cc1 384886973 SHZNVSGCHPRSLX-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE CCCCCCCO[C@@H](CNCC(C)C)C(C)(C)C 395621933 CBJICYZUJKNEKG-INIZCTEOSA-N 271.489 4.634 30 10 CJEE CCCCCCCCCC[C@@]1(F)CCCN[C@H]1C 396634228 GYSPRCBDDKQNFC-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE C#Cc1ccc(Oc2ccccc2-c2ccccc2)nc1 606302767 VTXSLKPNUUKTDL-UHFFFAOYSA-N 271.319 4.522 30 10 CJEE CC(C)(/C=N\Cc1ccccc1)CCc1ccccc1 606524329 FEOOJEQFJCEXBE-SILNSSARSA-N 265.400 4.916 30 10 CJEE Cc1ccc(N=C2NC3(CCCCC3)CCS2)c(F)c1 687323178 JBNKANIJOCNINJ-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CO[C@H]1CCC[C@@H](C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688338999 SEEDFMIDGOGVCI-CABCVRRESA-N 277.452 4.938 30 10 CJEE SCC1(CN2CCC[C@@H]2C2CCCCC2)CCCC1 688810929 XGAMXECABVMOGF-MRXNPFEDSA-N 281.509 4.521 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1cccc(Br)c1 695891526 KKLUPLMMPVICCX-SNVBAGLBSA-N 298.249 4.870 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(N)c(C)c1 696527900 JNSCLMZQSNHCBR-KRWDZBQOSA-N 263.425 4.751 30 10 CJEE C[C@@H]1CC(F)(F)CCN1CCCCCCCCCS 697736996 FLBOILAZJJPSJO-CQSZACIVSA-N 293.467 4.767 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCN1C 700245347 QIAFIIFJCIWMPV-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CCCCCCCCC(=O)[C@H](C)Oc1ccccc1 700707122 UESRLFYWKWPQHB-HNNXBMFYSA-N 262.393 4.774 30 10 CJEE CCCCCCC[C@H](C)NCC1CC2(CCC2)C1 700795683 WNFNKZKPNGCQJA-HNNXBMFYSA-N 251.458 4.905 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@]1(C)CC1(C)C 702199518 AKTHSUAVVOJILG-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2cnccc2c1 702771566 ZZMRZGAKJMDLIQ-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCC[C@H](O)c1oc(C)cc1Br 706230054 KFHUCSVSAOLXRJ-LBPRGKRZSA-N 289.213 4.744 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@H]1CNCCC 715789735 WEQXGWVYZYSVHZ-YVSFHVDLSA-N 251.458 4.641 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@@H](C)C2)CC1 724590518 WQCVCSWIVRBMES-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](N)c2c(C)cc(C)cc2C)CC1 724598468 BGVYEBKBIQTHRH-KRWDZBQOSA-N 257.421 4.748 30 10 CJEE CC(C)CCCC/N=C1/N[C@H](C2CCCCC2)CCS1 725107969 LJKSJLCAIDJNIR-INIZCTEOSA-N 296.524 4.844 30 10 CJEE C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC(C)C 1124334042 QBYXWJNQPGQMCF-UHFFFAOYSA-N 299.867 4.742 30 10 CJEE C=C(C)CCN1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 1191258989 QYRGXRRWWVLIPF-GOEBONIOSA-N 261.409 4.581 30 10 CJEE C#CCCCCCCNCC1(C)CCC(C)(C)CC1 1206307435 FSQIIJGVRSRLFU-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1ccc2occc2c1 1208359760 VEUUQZULOLCGQS-UHFFFAOYSA-N 286.375 4.547 30 10 CJEE 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4.892 30 10 CJEE C=CCN(Cc1csc(C)c1C)c1ccccc1 1462106558 UGIDLTCZPXIUML-UHFFFAOYSA-N 257.402 4.558 30 10 CJEE Cc1cccc(Cl)c1COc1ccc(C#N)cc1Cl 1472961769 CLUHDEPCMUINCF-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C#CCN(CCC1C[C@H](C)C[C@@H](C)C1)C1CCCCC1 1473137568 XAFLXDAXEWDRIQ-IAGOWNOFSA-N 275.480 4.717 30 10 CJEE C=CCC[C@@H](NCCOC1CCCCC1)c1ccccc1 1473327397 PZQQNEJIFRVYTA-LJQANCHMSA-N 287.447 4.633 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCCC[C@@H]2CC)c1 1477187586 MKGYCZAQUKEJLZ-INIZCTEOSA-N 272.392 4.516 30 10 CJEE C=C[C@](C)(CC)C(=O)OCc1cc(Cl)ccc1Cl 1521732361 PLFHENADLSWCCJ-CQSZACIVSA-N 287.186 4.639 30 10 CJEE C=CC[C@@H]1N(C(=O)/C=C(\C)c2ccccc2)CCCC1(C)C 1524930450 DKRKNUCBRPHQML-ZPICJPFVSA-N 297.442 4.683 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)CC1(C)CCCCC1 1531514778 ACYPUQDAWSNCTC-UHFFFAOYSA-N 299.458 4.952 30 10 CJEE C=C[C@@H](CC(=O)Nc1ccc2occc2c1)c1ccccc1 1532064003 PDRUUMWZLDPUAU-AWEZNQCLSA-N 291.350 4.731 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C/c1ccco1)c1ccccc1 1536594971 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CJEE C=C(C)CCN(C)Cc1cc(F)c(Cl)cc1Cl 2306304123 AZFIECOFHGDARE-UHFFFAOYSA-N 276.182 4.531 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@@H](C)CC 2313524615 NEONJBKJRXDKPF-HOCLYGCPSA-N 269.498 4.655 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](CCC)CC[C@@H]1NCC 2313653701 BXYNOZXEYQJQHE-XUWVNRHRSA-N 269.498 4.631 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1cscc1Cl 2316335198 JPBKQBZAWPVRQK-CQSZACIVSA-N 295.860 4.555 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CCc1ccc(Cl)cc1 2321103416 ZIJCGSTXBPGAFO-CVEARBPZSA-N 265.828 4.592 30 10 CJEE C[C@@H]1CC[C@H](OC[C@@](C)(CS)C(C)(C)C)[C@H](C)C1 2327167306 DMQNNJKNAUYWHX-NYTXWWLZSA-N 272.498 4.810 30 10 CJEE C=CC[C@@H](NCCC)c1cccc(SC(C)C)c1 2327721645 WEUVQMLGYNPHTG-MRXNPFEDSA-N 263.450 4.804 30 10 CJEE CCc1cc(OC[C@H](CS)CC(C)C)ccc1Cl 2328522350 UFYPJLBKSQZKRV-GFCCVEGCSA-N 286.868 4.873 30 10 CJEE C=C([C@@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC)[Si](C)(C)C 2330813246 HHHUITMNQULUBD-WCXIOVBPSA-N 279.544 4.615 30 10 CJEE C=CCCCCCCCCC=C1C[C@@H]2C[C@H]1C[C@@H]2N 2333365860 XUWDNMKRMLYHMG-KSZLIROESA-N 261.453 4.977 30 10 CJEE CCCCCCCCCC[C@@]1(O)CC[C@@H]2[C@H]1C2(F)F 2333877160 QBKGMIJEDWFTSS-RBSFLKMASA-N 274.395 4.923 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@H]1C2 2334331123 NJONOPCNOVVXPF-SQNIBIBYSA-N 263.469 4.881 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@](C)(CC)CC[C@@H]1NC 2335099218 UBRWDJFBZGALCL-GVDBMIGSSA-N 281.509 4.797 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(OC)c(Cl)c1 2335112760 RHTGJUKZTVOPHF-NHYWBVRUSA-N 281.827 4.520 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1CN 2335229038 GNONWUYTCUOFKJ-ZJIFWQFVSA-N 283.525 4.864 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)CCCC(C)C)C1 2337651565 QJGHKZONTXWMJU-ZACQAIPSSA-N 265.441 4.674 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccc(F)c(C)c1Cl 2338555526 XYTIEUUPNMYVTI-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(F)c(C)c1C 2340917172 GVURURGIIYUJEC-DOMZBBRYSA-N 263.400 4.838 30 10 CJEE CCCCCCC[C@H](N)Cc1ccccc1C1CC1 2341538852 KREYNCXTCCGSLG-KRWDZBQOSA-N 259.437 4.794 30 10 CJEE C=C(C)C[C@H](NCC)c1cccc(C(F)(F)F)c1C 2341921683 GYWHFWVDFWFBEX-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341931917 UQMZWGSMKBCCKU-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)NCCC 2344341581 CNSYWGSHRJYFRT-SFFUCWETSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(CCC)cc1 2344344465 SGFFQAUFAGBFJQ-QZTJIDSGSA-N 259.437 4.501 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1[C@H]2CCCCC[C@H]21)NCCC 2344385866 RXRQFLSEYGTXNJ-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cccc2c1CCCC2 2344477194 RMDKUAWNLVNQOX-ROUUACIJSA-N 258.405 4.591 30 10 CJEE CN(CCCCCC1CC1)CC1(CS)CC(C)(C)C1 2345019369 QFACOHYMYHQXEG-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CCCCS[C@@](CC)(C(=O)O)c1cccc(Cl)c1 2352205945 ICUZTEAQDDGAGD-OAHLLOKOSA-N 298.835 4.729 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CCCC[C@@H]1C(F)(F)F 2353836417 ZLHACKUPKKWALV-AVGNSLFASA-N 298.414 4.716 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2CCC[C@@H]3C[C@H]23)NCC)CC1 2355645619 HZSICOKBDHRIMC-AKHDSKFASA-N 275.480 4.927 30 10 CJEE C=CCCCCCCCCC[C@@H](CC[C@@H]1C[C@H]1C)NN 2358323720 VZPFGDXZHRGNKH-KURKYZTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358665337 BWSCEBKSLNFZKR-JONQDZQNSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCCN[C@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2359227271 QNFDMJOMJRQLKL-LFDJNIOPSA-N 275.480 4.927 30 10 CJEE C=CCC(CC=C)SC[C@@](C#N)(NC(C)C)C(C)(C)C 2360208799 UEGYYSDYHDLAAB-QGZVFWFLSA-N 294.508 4.547 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNCCC)cc1F 2360366746 FQBVNBJXUFZQMT-UHFFFAOYSA-N 293.451 4.938 30 10 CJEE Fc1ccc(C(CCCS)c2ccc(F)cc2)cc1 21798070 NFPDEYNGTMWYOB-UHFFFAOYSA-N 278.367 4.807 30 10 CJEE C=CCSc1ccccc1NCc1sccc1C 37766358 WHJVEKFSPGDHRN-UHFFFAOYSA-N 275.442 4.947 30 10 CJEE CCCC1CCC(Nc2cc(Cl)ccc2C#N)CC1 37879964 DFKDFAATPUHZEA-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc3ccccc3c2)cc1 37935518 LZFIXNKRCSQJHY-LJQANCHMSA-N 272.351 4.825 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Cl)cc1F 44825167 HMXCIPMVWPHKRV-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE CCC[C@H](N[C@@H]1CCCCC[C@@H]1C#N)c1cccs1 54827072 JLCGAJWAHWXYRQ-KFWWJZLASA-N 276.449 4.651 30 10 CJEE CCCCCCCOc1ccc(CC[C@H](C)NC)cc1 59179056 UUNMXUDKPZWKHM-INIZCTEOSA-N 277.452 4.576 30 10 CJEE CCCCCCCNc1ccccc1CN1CCCC1 59469090 DEYBFLJKZZOKJZ-UHFFFAOYSA-N 274.452 4.665 30 10 CJEE N#Cc1ccc(-c2csc(-c3cc(F)cc(F)c3)n2)cc1 62938246 ZVRCUDWGVHLTFL-UHFFFAOYSA-N 298.317 4.627 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C)cc2/C(C)=N/O)C1 71150052 HOWFIYCMSNVSFW-KIHLJVTFSA-N 275.392 4.541 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426762 ULEYWCKFKADDEU-DMDPSCGWSA-N 280.824 4.546 30 10 CJEE CC[C@H](C)n1ccc(C[C@@]2(C#N)CCC[C@@H](CC)C2)n1 87972639 ITGPSVCMYFGNFB-ZMSDIMECSA-N 273.424 4.507 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2c(Cl)c(C)nn2CC)C1 89306186 CJKOTZUFHSBHEI-CZUORRHYSA-N 293.842 4.518 30 10 CJEE CCC1(CC)CCN(CC2(CS)CCCCC2)CC1 94579901 MGULWULQRHRQCZ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCCCCCNCCc1cccc2ccccc12 100027202 ZUMDOKUMZQIXGE-UHFFFAOYSA-N 269.432 4.942 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(C)s1 103973146 ZEAUMAICGKMGNJ-CYBMUJFWSA-N 253.455 4.895 30 10 CJEE CCCCCCCCO[C@H](c1ccsc1)[C@@H](C)N 105551362 XRHSOFXJJVNSPL-HIFRSBDPSA-N 269.454 4.514 30 10 CJEE Cc1cc(Oc2ccccc2)ccc1CCCC#N 107617730 YZBUXEANXZOEQH-UHFFFAOYSA-N 251.329 4.634 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(C)c(F)c1 109713047 PTLAEQSSZDXDBU-INIZCTEOSA-N 252.373 4.918 30 10 CJEE CCCCCCCCCCCCN(CCC)CCN 111236037 AFPDYKGUSTYCCN-UHFFFAOYSA-N 270.505 4.578 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(OC)cc(OC)c1 115652569 OHQZBHKZIPVAQA-GOSISDBHSA-N 294.435 4.878 30 10 CJEE CCCCCCCCn1ccc([C@H](NC)C(C)C)c1 118246667 OYPXMMYKJGCVHI-QGZVFWFLSA-N 264.457 4.765 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(CC)s1 122199104 QUVVDIQPULBMRJ-HNNXBMFYSA-N 282.497 4.956 30 10 CJEE N#C[C@@H](CC1CCCCC1)Nc1ccccc1Cl 125225203 HDVQXWZZEMCQNU-CYBMUJFWSA-N 262.784 4.614 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]1(C)CCCCO1 125294691 XZQCJYJWHWUDEO-DLBZAZTESA-N 269.473 4.674 30 10 CJEE Cc1ccc([C@@H](C)Nc2cc(C#N)ccc2Cl)s1 125683658 JPRZGUCLUHKOJL-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(OC(F)F)cc1 125696061 BKIJQELSOMCNDN-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 130952052 JPQRMFGOFHECEA-JQWIXIFHSA-N 282.309 4.568 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1OCCc2ccccc21 139389267 CVWDCPWCYSDWSA-MOPGFXCFSA-N 289.463 4.768 30 10 CJEE Cc1cc(N)c(Cl)cc1Oc1c(C)cc(C#N)cc1C 157638990 IJBPQWPXGJMBIA-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(C)cc1F 158015843 DOUFWRIFFOKFGN-MRXNPFEDSA-N 251.389 4.755 30 10 CJEE CC(C)CC1(CNc2ccc(C#N)c(F)c2)CCCC1 160512865 FPHTYJXBQIJADS-UHFFFAOYSA-N 274.383 4.716 30 10 CJEE CCCCCCCCC(=O)[C@@]1(OC)CCC[C@H](C)C1 161009455 YAMJLQFGRBSXAI-DOTOQJQBSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCCCCN[C@@]1(C)CCOC1 161700497 VPUMMTGGUJXBRP-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE N#C[C@H](Nc1ccccc1)c1ccc(F)cc1C(F)(F)F 167150106 AKOTXNQAAYKUPO-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE C=CCC[C@H](NCC)C1CCC(CCCC)CC1 167771409 PPHVFKOZBIFUES-JCYILVPMSA-N 251.458 4.927 30 10 CJEE N#Cc1c(Br)cccc1SC1CCCCC1 169001580 JPODOUKDSBTYGT-UHFFFAOYSA-N 296.233 4.746 30 10 CJEE CC(C)C(=O)/C=C\c1ccc(OCc2ccccc2)cc1 195763318 RSGVHOYLQFTVFB-RAXLEYEMSA-N 280.367 4.504 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OC(F)F)c(Cl)c1 228817714 MYGLDEONPIPKLI-VIFPVBQESA-N 275.726 4.708 30 10 CJEE C=CCC[C@H](C)N[C@@H](CC)c1ccc(Br)cc1 228820245 VRDHJHXZZSOJBL-WFASDCNBSA-N 296.252 4.845 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)C1 230995759 MNUIWRJRBOABKK-KGLIPLIRSA-N 276.811 4.838 30 10 CJEE CC(C)c1ccc(Nc2ccc(C#N)c(F)c2F)cc1 232772459 GYUXFSIZUCTXRD-UHFFFAOYSA-N 272.298 4.703 30 10 CJEE CCCCCCCCCCN(C[C@H]1CCCN1)C(C)C 232930763 DQDOPAHJJRRDPH-GOSISDBHSA-N 282.516 4.590 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc3ccccc23)CC1 235379731 UYXRWEBTRHVKLV-ZDUSSCGKSA-N 250.341 4.769 30 10 CJEE CC1=C[C@H](C)C[C@H](CNc2ccc(Cl)c(C#N)c2)C1 235399470 UFKKOUZXUMLHKW-AAEUAGOBSA-N 274.795 4.616 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(C3CCC3)cc2)CC1 235699434 AXNXILBEZKXZTG-CYBMUJFWSA-N 254.373 4.883 30 10 CJEE CCC(CC)N(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252415650 RNBXITUGUMNRLR-JENIJYKNSA-N 284.447 4.583 30 10 CJEE Fc1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 252633127 VZXFXPRRAFAHIZ-UHFFFAOYSA-N 268.118 4.883 30 10 CJEE N#C[C@@]1(C[C@H]2CCCC(F)(F)C2)C[C@H]2CC[C@H]1C2 302324353 CMNQVIQTXVWVPT-CRWXNKLISA-N 253.336 4.532 30 10 CJEE C=CCCCN[C@@H](C)c1cccc(Cl)c1Cl 304211927 FISAKDKVMMRXBV-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@H](CCC)CC1 311226366 RCHKTGLEJRBMKW-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCn1cnc2c1C[C@H](C)[C@@H](C)C2 311770910 XCTZYWWYDIMMNH-GJZGRUSLSA-N 262.441 4.614 30 10 CJEE CC1CCC(C=O)(CC2CCC(C)(C)CC2)CC1 316955572 IKCSCOSREVOVJP-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1c(C)cnn1C 380143507 QIEVIHWFDRXQSK-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(CCC)CC1 380706905 YWYHXIOFZTURTN-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1cccc(Cl)c1Cl 385042038 RIZRZOBOAXJBAL-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE O=C(C1=CCCC1)c1cccc(Cl)c1C(F)(F)F 393326295 LMNOEWQJZZEHFY-UHFFFAOYSA-N 274.669 4.652 30 10 CJEE C=CCCC[C@@H](C)NC1CC(C)(C)CC(C)(C)C1 398095371 FEETXXSAYURZJM-CQSZACIVSA-N 251.458 4.926 30 10 CJEE CCCCCCCCCCC[C@H](O)C[C@@H]1CCOC1 400637860 OXZPIBGLFVREJM-IRXDYDNUSA-N 270.457 4.695 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccns1 401111383 HPTBVYZSXQNTAO-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C[C@@](C#N)(Cc1ccc(Cl)cc1F)c1ccccc1 405709884 RBEYRLYYQACGCJ-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C/CC 588574423 SEEMVXFLFJNFLL-NTEUORMPSA-N 271.404 4.833 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(CC)cc1 686695127 HIXSZJOHBYZUNB-LJQANCHMSA-N 271.448 4.873 30 10 CJEE CCC[C@H](C)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316008 PLPHAGNAGPPLMA-UONOGXRCSA-N 265.441 4.530 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)cc1C#N)C1CCCC1 695666121 JWXBIHJWRCRCNY-OAHLLOKOSA-N 276.811 4.982 30 10 CJEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCC1 698460438 ZINIPMNWNKABPG-CQSZACIVSA-N 294.439 4.639 30 10 CJEE C[C@H]1CCC[C@@](C#N)(CCCOC2CCCCC2)C1 699945829 FYMANUUNGOYNII-DOTOQJQBSA-N 263.425 4.836 30 10 CJEE CCCCCCCCCCSCC(C)(C)C(=O)O 700385089 PKXKFWXROAPQHP-UHFFFAOYSA-N 274.470 4.971 30 10 CJEE CC1(C)CCC(C#N)(c2cc(C(C)(C)C)ccn2)CC1 703834197 DKTFWUWFPNOOLG-UHFFFAOYSA-N 270.420 4.741 30 10 CJEE N#Cc1ccc(NCC(C2CCC2)C2CCC2)c(Cl)c1 707717465 REAWMHGNYAZERK-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE C[C@H](N(C)c1ccc(C#N)cc1Cl)[C@@]12CCCC[C@H]1C2 709260906 FQTQUOBYMHTXFR-JDFRZJQESA-N 288.822 4.617 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCCC2(CC2)C1 710143012 VWNPWHRTPPXRHM-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CC1(CC/N=C2/NC3(CCCCCC3)CS2)CCCC1 713215890 QOYAFUSFJKUUEW-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C)cc1Cl 715704301 JAAAHJOHQDYPNZ-DOMZBBRYSA-N 251.801 4.511 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCC[C@H]1C 719636160 PDPHODCZTLABIR-JZXOWHBKSA-N 271.404 4.559 30 10 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GIVUBSBFVFGCBD-MRXNPFEDSA-N 269.473 4.554 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C(C)(C)CCC 2274191967 HMMCNLIBZBGHCL-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE C[C@H]1CCC[C@]1(C=O)Cc1cccc(C(C)(C)C)c1 2274438828 RDOZEYYKUSDFCY-KBXCAEBGSA-N 258.405 4.532 30 10 CJEE CCCC[C@](C)(C=O)Cc1cccc(C(C)(C)C)c1 2274504478 PWLKMGUPJFONBO-SFHVURJKSA-N 260.421 4.922 30 10 CJEE CCCCCCC[C@H](OCCCN)c1cc(C)cs1 2276913157 MDWRRXURMGDDQY-HNNXBMFYSA-N 283.481 4.824 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)C[C@H]1CC12CC2 2284070769 KCDPNEXRFXJBII-IRXDYDNUSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)[C@@H]1CC2CCC1CC2 2284115572 LCLBSFWSEWAEMX-HTPOPCQBSA-N 273.464 4.526 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@H]1CCCC(C)(C)CC1 2284136607 DTSBBCGCKZHGDB-DLBZAZTESA-N 276.464 4.950 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccccc1SC 2284159394 OUJSRZFXEOAMHZ-INIZCTEOSA-N 287.472 4.665 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1cccc2ccsc12 2284177626 JNLCGVFPTITYGI-MRXNPFEDSA-N 284.424 4.931 30 10 CJEE CCCN[C@](C#N)(CCCSCCC1CCC1)C(C)C 2285656524 UUGMAHJLMUXNSD-KRWDZBQOSA-N 296.524 4.608 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1cccc(OC(F)F)c1 2287385587 OPURXNSCDOAZHN-INIZCTEOSA-N 283.362 4.598 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1nc(CC)oc1C 2287412686 FJNSOIAAEVOADV-HNNXBMFYSA-N 278.440 4.723 30 10 CJEE CCCCCCCCCCOc1cc(C)nc(C=O)c1 2288347372 SRWNJFHFMDVFAN-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C1(C2CC2)CCCC1 2289708166 AWYKCWUMQKTQKZ-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1cc(C)sc1C 2289839709 HKYWCOGJWKPNMC-SFHVURJKSA-N 289.488 4.989 30 10 CJEE C=CCCCC[C@]1(OCCC(=O)O)CCCCC[C@H]1C 2291482596 SXLPTTYUJDPZQM-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@]1(OCCN)CCSC1 2292567730 HPLFPHYFBHWTSJ-KRWDZBQOSA-N 299.524 4.534 30 10 CJEE CCCCC#CC[C@H](OCCCN)C(CC)(CC)CC 2292585659 KXVHJLDLXHAVJK-KRWDZBQOSA-N 281.484 4.521 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCC[C@@H](C)[C@H]1C 2292802962 IRBKPMRILQGARA-KURKYZTESA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)C1(C)CCCC1 2293580768 JIFLHYAFYXKZNA-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](OCCN)c1ccc(C(F)F)o1 2293662640 DCUPRLAEJQCBBE-GFCCVEGCSA-N 289.366 4.594 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1ccc(CC)o1 2293717911 REHGMEPGIBBZCS-MRXNPFEDSA-N 281.440 4.609 30 10 CJEE C=CCCCCCCC[C@@](C)(OCCCN)C(C)(F)F 2293854067 DMLSDMSEQXXVMP-OAHLLOKOSA-N 291.426 4.682 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1C[C@H]1CCC)OCCN 2293943862 VEAFCUCKHPPFEI-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCCCCCCCC[C@](C)(OCCN)[C@H]1C[C@@H]1C 2293995740 YKLNQEQUEJNRRX-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C1=CCCCC1 2294315100 GVGLZNUAYQWHAM-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@]12CCC[C@@H]1C2 2294451974 FWXPDDFMZRZTHL-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@](CCC)(OCCN)C(F)F 2294455224 JGSKNSTUYIBBGT-INIZCTEOSA-N 293.442 4.906 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](C)C(=O)NC12CCC2 2295687225 RTENQBXWZWVTFA-NVXWUHKLSA-N 279.468 4.822 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(Br)cc1 2298828444 KWJPEBMSPIQFLZ-LBPRGKRZSA-N 294.236 4.621 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1c(Cl)cc(F)cc1Cl 2302213590 SYUIVKOAYMGWNE-AMIZOPFISA-N 277.166 4.768 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(Cl)cc1CC 2304051062 DALJRPOWTMIBBG-CQSZACIVSA-N 251.801 4.505 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C(C)(F)F 2308968549 INXLTJKXZKHEPH-MGPQQGTHSA-N 261.400 4.616 30 10 CJEE C=C[C@H](C)C[C@H](CC=C(C)CCCC(C)C)NC 2316579850 SCMWRRRKPFUUGV-RDJZCZTQSA-N 251.458 4.949 30 10 CJEE N#C[C@]1(CCCC2=CCCCC2)CCC(F)(F)C1 2318512833 VNKLMYXLTYWQRF-CQSZACIVSA-N 253.336 4.986 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2319573346 AZRYIOXORFBUJL-PELKAZGASA-N 277.717 4.571 30 10 CJEE C[C@@H]1C[C@](C#N)(CC[C@H]2CC[C@@H]2C2CC2)CCS1 2319738622 QLKKIXSPCSMBBI-MIGQKNRLSA-N 263.450 4.628 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)cc(Cl)c1 2321102983 VRFWPEVDEIZHKB-JKSUJKDBSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@H](NCC)[C@@H]1CC[C@H](C)[C@@H](C)C1 2321115851 HOUIFXAOWVVOJT-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@]12CCCC[C@H]1CC2 2321220374 RPYJAMFAPFFGJP-YVSFHVDLSA-N 250.426 4.700 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccccc1CSC 2321228451 MMEWWRIQHKJPAX-JKSUJKDBSA-N 264.434 4.575 30 10 CJEE C=C[C@](N)(Cc1cc(F)c(Cl)cc1Cl)C(C)(C)C 2325265553 LAYFSYZYBXMORR-AWEZNQCLSA-N 290.209 4.605 30 10 CJEE CC(C)(C)C1CC(OC[C@@](C)(CS)C(C)(C)C)C1 2327111108 ZPBWQBQKTUWTNN-ZUEPYMLJSA-N 272.498 4.810 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2329118263 CMELXTZKLYUPHU-PWNZVWSESA-N 277.408 4.513 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329831742 MTOASLMAOBHXQF-DISONHOPSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@]12C[C@H](C)[C@@H]1C2 2333706725 VWQSOBRWUIJZBM-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCCC2)CC[C@H]1NCC 2335096718 PWHYNPUYGLYXRY-XHSDSOJGSA-N 281.509 4.775 30 10 CJEE C=CCC(CC=C)S[C@@H](CC)[C@@H](N)c1ccccc1 2335096993 SQBXMHUZEHRLMR-IRXDYDNUSA-N 275.461 4.719 30 10 CJEE C=C1CC([C@H](NCCC)c2c(F)ccc(C)c2Cl)C1 2335565244 ZXOYPFRJTBLZPO-INIZCTEOSA-N 281.802 4.794 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(COC)s1 2336735028 HCQGEZWCBTYDOQ-INIZCTEOSA-N 283.481 4.819 30 10 CJEE CCCC[C@H](C)CC[C@H](C#Cc1cccs1)NCC 2338250805 XJEFFCKFJQYSMX-JKSUJKDBSA-N 277.477 4.684 30 10 CJEE CCCCCC#CC[C@H](O)c1ccc(F)c(C)c1Cl 2338557908 CRPIZZXIGYLJNW-HNNXBMFYSA-N 282.786 4.795 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1CCCC1(C)C 2338733718 VEZNCOXGJINFCN-DLBZAZTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)C1(CNCC)CCC(F)(F)CC1 2338735951 PSXQAECMUDBTTG-UHFFFAOYSA-N 271.395 4.560 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@H]2C[C@H]1CC21CC1 2339475033 GJZHTXOSXILVDX-TWMKSMIVSA-N 263.469 4.904 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCC[C@@H](C(C)C)CC1 2339904197 FGKDWKXVQGLQGX-IAGOWNOFSA-N 255.405 4.685 30 10 CJEE C#CC[C@H](C)C[C@@H](CCC1=CCCCC1)NCCC 2340295374 DNTHBBUYYXJKJN-FUHWJXTLSA-N 261.453 4.685 30 10 CJEE N#Cc1ccc(Cl)cc1OCCCC1=CCCCC1 2340983134 PVDZGEGAMNPEJA-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@@H]2C2CC2)CCCC12CCC2 2342383167 RLCRPUWOMRIYOM-JFIYKMOQSA-N 260.421 4.742 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C=O)CCCCC12CC2 2343334126 HWIZNBIUDCYKMA-HDMKZQKVSA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)c(F)c1 2344342576 LAGYXMPRGCRXOM-IRXDYDNUSA-N 263.400 4.777 30 10 CJEE C#Cc1ncccc1N[C@@H](C)c1c(Cl)cccc1Cl 2346034717 RTDMILAGWWKLHI-JTQLQIEISA-N 291.181 4.543 30 10 CJEE Cc1c(Cl)ccc([C@H](C)C2(C#N)CCOCC2)c1Cl 2353187247 WGFZDLVGKUQOTK-NSHDSACASA-N 298.213 4.726 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)C[C@H](CC)CCC 2353464406 ZBWSSQUOFPAWLQ-WBVHZDCISA-N 270.457 4.883 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2354156589 XMLIVCRRQCKICU-XYJFISCASA-N 268.404 4.638 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@H](C)CC1CC1 2360334792 VSKBXNWLOUTLEN-QAPCUYQASA-N 282.468 4.883 30 10 CJEE Cc1cc(C#N)cc(NCc2c(F)ccc(C)c2Cl)c1 2360546567 OLRWQYYKGAOJFI-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE Cc1ccccc1/C=C/C(=O)/C=C/c1ccccc1C 3106482 DAYSFNFIBVUIJN-PHEQNACWSA-N 262.352 4.599 30 10 CJEE CCCCCCCCCCOc1ccc(CCN)cc1 3603672 COTRFEDWVCDEJX-UHFFFAOYSA-N 277.452 4.707 30 10 CJEE N#Cc1c(F)cccc1N[C@H]1CCCCc2ccccc21 36138798 KZHWMGUGHLLCTM-KRWDZBQOSA-N 280.346 4.577 30 10 CJEE N#C[C@@H]1CCCC[C@H]1Nc1ccccc1-c1ccccc1 54823061 OWXGNYLYUMXXIG-FUHWJXTLSA-N 276.383 4.848 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2ccc(C(C)C)cc2)cc1 55333394 ZXIJAWWZSKKIES-SFHVURJKSA-N 277.367 4.609 30 10 CJEE N#C[C@H](CCCCOc1ccccc1)c1cccc(F)c1 57688419 NBEZGZLOFZRNBH-INIZCTEOSA-N 283.346 4.682 30 10 CJEE CCC(C#N)(CC)CCCOc1ccc(Cl)cc1 57714495 NGBCPUGLSROVNU-UHFFFAOYSA-N 265.784 4.829 30 10 CJEE C=CCCCOc1ccc2ccccc2c1CNCCC 71274462 ZKWFHPWYDRAURB-UHFFFAOYSA-N 283.415 4.684 30 10 CJEE C=CCCC[C@@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 71276245 QNJJUGKFIZDQBS-QGZVFWFLSA-N 274.448 4.861 30 10 CJEE Cc1ccccc1Cn1c(Cl)c(C#N)c2cc(F)ccc21 71465434 RCYULPQEWOLUQS-UHFFFAOYSA-N 298.748 4.662 30 10 CJEE Cc1cc2oc(C#N)c(C(C)(C)C)c2c(C)c1Cl 77071662 DHHJLFXOVKVANR-UHFFFAOYSA-N 261.752 4.872 30 10 CJEE CSc1ccc(-c2cc(CC#N)c(C3CC3)o2)cc1 77084231 JEYPMYIXMWJTNY-UHFFFAOYSA-N 269.369 4.612 30 10 CJEE CC[C@@H](CS)CSc1ccc2ccccc2c1 94589290 WNTJXOCUKZISBI-LBPRGKRZSA-N 262.443 4.888 30 10 CJEE CC(C)(C)[C@H](CS)CSc1cc(F)ccc1F 94589298 SLRUYURMUUGJPU-SECBINFHSA-N 276.417 4.649 30 10 CJEE O=[N+]([O-])c1ccccc1OCCCCCCCCCS 97799668 SIUZFWHUZLLBDU-UHFFFAOYSA-N 297.420 4.634 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc(CC)c(C)s1 104439228 MELWMJPXNICTEP-OAHLLOKOSA-N 268.470 4.548 30 10 CJEE CCCOc1ccc(Cl)cc1[C@@H](C)CCS 107582841 YNWVJXGPOOXHMG-JTQLQIEISA-N 258.814 4.552 30 10 CJEE C=CC[C@H](C)c1cc(Cl)c(OCC)cc1OCC 107676139 KFYOGPIKBRMDQV-NSHDSACASA-N 268.784 4.817 30 10 CJEE CN(Cc1cccc(Cl)c1)c1ccc(C#N)c(Cl)c1 110254818 XVCCTNPNSGGLFM-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C[C@@H]1CCC[C@H](Sc2cccc(Cl)c2C#N)C1 110354379 HFAYGUOCVTYGRB-MNOVXSKESA-N 265.809 4.882 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NCC12CCCC2 114057571 PSZOKPCHNBNTCU-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCC(=O)N2 115855183 MVZRSBNIMXKLSJ-UHFFFAOYSA-N 287.403 4.505 30 10 CJEE CCCCCCCCCCN[C@H]1CCO[C@@H](CC)C1 124772879 DSYKVQFWBCDLLA-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCOCc1ccc([C@@H](C)CN)cc1 125765824 KKWSRZWYDPDXHT-INIZCTEOSA-N 277.452 4.626 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC(C)(C)C1 129463620 HHLUQFQZTAUNGA-CYBMUJFWSA-N 261.434 4.955 30 10 CJEE C=C(C)C[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 129701141 TYTLQFKDINOEPU-MFJUZZNBSA-N 262.437 4.700 30 10 CJEE CCc1cc(Oc2cc(OC)ccc2C#N)ccc1Cl 130510463 WCACZCYJRMFLEA-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H](OC)C1CC1 130894240 DZPRAMVIFXLCEK-ROUUACIJSA-N 298.515 4.554 30 10 CJEE CSc1cccc(Nc2cc(Cl)ccc2F)c1C#N 136623942 RJUKKZIWQJTFFT-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](OC)C1CC1 158234955 FZSZHKFUVHYSQM-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@@H]1CCCO1 162314540 JDBUGCUSUXEDMB-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE CCCCc1ccccc1/N=C/c1ccccc1OC 164594772 QMQIMZZAIMUQNV-XMHGGMMESA-N 267.372 4.788 30 10 CJEE CCCCCCCC[C@H](O)c1c(F)cccc1OC 211267119 UIZGYBHOAWNUHB-AWEZNQCLSA-N 268.372 4.618 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CNC[C@@H]1C 226377631 STISGECLDRWOOR-IRXDYDNUSA-N 281.484 4.722 30 10 CJEE CCCCCCCCCc1nc([C@H]2CCCCCN2)no1 228393881 XEVSDLMUAXXLAH-OAHLLOKOSA-N 293.455 4.567 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc(C)c(F)c1F 231744479 ZSOSEGUOCPORAZ-CQSZACIVSA-N 269.379 4.894 30 10 CJEE Cc1ccc(Oc2cc(Cl)c(Cl)cc2N)c(C#N)c1 235901381 VEGJLVRQMZQXEX-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1C[C@@H](C#N)C(C)C 259435997 PSOJAOXOIRWAJK-HNNXBMFYSA-N 257.421 4.939 30 10 CJEE C=C(c1cccc([C@@H](CC)NCCC)c1)C(F)(F)F 312028346 WYODXYVKTCUDJI-CQSZACIVSA-N 271.326 4.713 30 10 CJEE O=CC1(C[C@@H]2CCCCC2(F)F)CCCCCC1 316579955 MKHCBAOWYRKJMO-ZDUSSCGKSA-N 258.352 4.742 30 10 CJEE O=CC1(Cc2ccc(Cl)c(Cl)c2)CCCCC1 317179638 GSYBTEOVBVEAQO-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE CC(C)(C)C#CCC1(CNC2CC2)CCCCCC1 317480295 APEPJEDPVSGEFA-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@@H](C)CC(C)(C)C1 380629805 CPEVMWHYGMLUBR-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1cn[nH]c1 380898991 CZANOFFSVLEROA-QGZVFWFLSA-N 279.472 4.981 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccc(C(F)(F)F)cc1 385011245 NJFWQTKWFNVZND-IUODEOHRSA-N 281.321 4.968 30 10 CJEE Cc1cc(SCC(C)(C)CS)nc2ccccc12 385190730 VMALWNIXXCUQTI-UHFFFAOYSA-N 277.458 4.591 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1ccc(Cl)cc1F 387469875 SFFVQWFGEVPNJQ-INIZCTEOSA-N 299.817 4.501 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccc2sccc2c1 395310674 PCPBUSWVGBBUQE-OAHLLOKOSA-N 274.433 4.542 30 10 CJEE CCC(CC)N(CC(C)C)C[C@@H](C#N)C1CCCCC1 397350983 YPUAIEGEKQJQRE-QGZVFWFLSA-N 278.484 4.853 30 10 CJEE C=CCCC[C@@H](C)N[C@H](c1ccc(C)cc1)C1CC1 398161217 IBZLPESLXRVKOO-CRAIPNDOSA-N 257.421 4.781 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 398201657 WKGUJYGSVBGYLQ-CABCVRRESA-N 257.421 4.571 30 10 CJEE C[C@@H](C[C@]1(C#N)CCCc2ccccc21)C1CCC1 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C=CC[C@H]1CCCC[C@@H]1NCc1ccc(CCC)s1 1203113491 MTEMUASSYASHLQ-YOEHRIQHSA-N 277.477 4.925 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1C[C@H](C)C[C@@H](C)C1 1265133600 RLRTXCDLKFEPKP-HZPDHXFCSA-N 291.479 4.654 30 10 CJEE C=CCCCCCN(CC1CCCCC1)OCC 1307845979 RDWVLIMUFSXUNR-UHFFFAOYSA-N 253.430 4.567 30 10 CJEE C=CCn1cc2ccc(NC[C@@H]3C(C)=CCC[C@@H]3C)cc2n1 1308531919 NXECVXTZYBUMRE-MAUKXSAKSA-N 295.430 4.627 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)c(O)c(C)c2)c1 1308971746 UWKGIJZMZZUAIF-UHFFFAOYSA-N 267.372 4.654 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1ccccc1-c1ccccc1 1310076043 FGCKCTVTRWQOCS-MRXNPFEDSA-N 292.382 4.536 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CCCC1 1353007228 CQBTYAXAOUUBMY-MRXNPFEDSA-N 285.431 4.617 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(OCC(C)C)c(Cl)c1 1353117875 MRSURIHPKKJRCP-UHFFFAOYSA-N 295.810 4.670 30 10 CJEE CCCCCCCCN1CCOC2(CCCCCC2)C1 1459672733 SHPXUQRHZAZODC-UHFFFAOYSA-N 281.484 4.772 30 10 CJEE C#CCCCCCCN[C@@H](c1ccc(OC)cc1)C(C)C 1459863619 PDZTZMLDFMKNBN-LJQANCHMSA-N 287.447 4.566 30 10 CJEE C=CCC1(CNCc2ccnc(Cl)c2Cl)CCCC1 1461499577 HWEXZYSKNKXMMY-UHFFFAOYSA-N 299.245 4.615 30 10 CJEE C=CCCC[C@H](NC(=O)c1cc(C)c(C)o1)c1ccccc1 1462507119 UYMQDGWJJSTIIP-KRWDZBQOSA-N 297.398 4.724 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)C[C@@H](C)CC)c1 1473273851 OIFJCAIRYLRVGA-KRWDZBQOSA-N 277.411 4.721 30 10 CJEE C=CCC1(NC(=O)C[C@H]2CCCCC2(C)C)CCCCC1 1521567629 VJKUQHKAHCPPGV-MRXNPFEDSA-N 291.479 4.988 30 10 CJEE C=CCCCC(=O)N1CCCc2c(Cl)cc(Cl)cc21 1527763030 PLRZKSIOUPTNJJ-UHFFFAOYSA-N 298.213 4.629 30 10 CJEE C=CCC1(NC(=O)[C@H]2CCC(C)=C(C)C2)CCCCC1 1543289060 UBOQMSZTXJRXQW-INIZCTEOSA-N 275.436 4.518 30 10 CJEE C=CC(C)(C)CNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 1544668445 XPISMJOCNHHUDB-HNNXBMFYSA-N 293.838 4.552 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc2cc(C)ccc2o1 1559235578 XZSMEZPQOSBAKA-UONOGXRCSA-N 270.376 4.683 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCCSc2ccccc2)C1 1560256753 HEYKKPYSFDYPBB-HZPDHXFCSA-N 275.461 4.503 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CC)c1 1563363684 ZJXQHJCLUPCNRQ-RHSMWYFYSA-N 286.419 4.810 30 10 CJEE C=CC[C@@H]1N(C(=O)c2occc2C(C)C)CCCC1(C)C 1586320551 RFHNDYHCAYYYDC-HNNXBMFYSA-N 289.419 4.610 30 10 CJEE C=C(CC)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 1610989166 BNMVZMZBLKXPHH-UHFFFAOYSA-N 291.822 4.582 30 10 CJEE CCCCOc1ccc(C#Cc2ccccc2CC)cc1 1614825648 KPXQWEPNYOTUJA-UHFFFAOYSA-N 278.395 4.828 30 10 CJEE Fc1cccc(Cl)c1C#Cc1ccccc1C(F)(F)F 1614826535 ZQBQUMRGLQOWCP-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC1CCCCC1 1617459080 VBHWFYCZSUPKQG-IRXDYDNUSA-N 277.452 4.598 30 10 CJEE C=CCC1(CNCc2ccc(OCCC)cc2)CCCC1 1620935591 WDFJHIZFWBBZCU-UHFFFAOYSA-N 287.447 4.702 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cccc(C2CCC2)c1 1625262895 DBUWDQZRRRIVCW-AWEZNQCLSA-N 286.419 4.820 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccccc1OCc1ccccc1 1642580498 OUDWWLSKIZHFAB-SJORKVTESA-N 295.426 4.881 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccccc2OC(C)(C)C)C1 1647031270 SRKPZWJGDRWPCC-WBVHZDCISA-N 287.447 4.698 30 10 CJEE C#CCN(CCC1=CCCCC1)[C@@H]1CCCc2ccccc21 1648423614 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CCCCCCC[C@@](C)(O)[C@@H](CC1CCC1)NCCC 1920863386 HHPCGBFWTFKKIW-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H]1[C@H](CN)CCCC12CCC2 1924850040 YPDKUVDBMKDAGO-JKSUJKDBSA-N 251.458 4.892 30 10 CJEE CCCCCCCCCO[C@@H]1CCC(C)(C)C[C@H]1CN 1927111574 DPPXGOXETCWEGO-DLBZAZTESA-N 283.500 4.907 30 10 CJEE CC[C@](C)(C#N)Cc1ccc(Cl)c(Br)c1 1957689544 ZDHPJEIMGGPQIK-LBPRGKRZSA-N 286.600 4.585 30 10 CJEE C[C@H]1CC(COc2ccc(C#N)cc2Cl)C[C@H](C)C1 1963632774 VIARRRNDQKHUHN-VXGBXAGGSA-N 277.795 4.663 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1cc2cscc2s1 1975901350 KGUIRSZEOIYSIP-TVQRCGJNSA-N 252.404 4.599 30 10 CJEE C=C1C[C@H]1CC(=O)c1c(Cl)ccc(Cl)c1Cl 1978447517 ZKARUIOHOFGJFG-ZETCQYMHSA-N 275.562 4.796 30 10 CJEE CC1(C)OB([C@@H]2C[C@@H]2c2ccc3c(c2)CCCC3)OC1(C)C 1984480639 DNNRIWDOBGYROP-IAGOWNOFSA-N 298.235 4.515 30 10 CJEE CC1(C)CC=C(C(=O)c2ccsc2Cl)CC1 1985308868 AVDPVVFFYWGTJL-UHFFFAOYSA-N 254.782 4.721 30 10 CJEE C=C([C@H](NCCC)c1ccsc1Cl)C(F)(F)F 2000396502 NXYBFEMUZIWDNJ-VIFPVBQESA-N 283.746 4.561 30 10 CJEE C=CC1(Cn2ccc3cc(Br)ccc32)CCC1 2002627869 MLOXPSXFPLEZAD-UHFFFAOYSA-N 290.204 4.760 30 10 CJEE C=CCC[C@@H](C)C[C@@H](NC)c1ccc(Cl)cc1 2003700373 UGAKDUOWRYBDTK-IUODEOHRSA-N 251.801 4.593 30 10 CJEE C=CCCCC[C@@](C)(N)c1c(Cl)cccc1Cl 2009484290 JZXJMSKPRZBTNQ-CQSZACIVSA-N 272.219 4.914 30 10 CJEE C=C1CC(C[C@H](NC)c2ccc(Cl)cc2Cl)C1 2011091557 OSSQBTCSEFJMQJ-AWEZNQCLSA-N 270.203 4.610 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H](CC)C(C)C 2028254169 DMASKFNBOHWDHE-SJORKVTESA-N 251.458 4.621 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@@H]2CCCC[C@H]21 2028753988 DJOOADDOCYOTLP-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE COc1ccc2c(c1)CCC(=Cc1cc(C)ccc1C)C2=O 2040459106 QCZCCUAGJGXZPO-UHFFFAOYSA-N 292.378 4.525 30 10 CJEE C=CCCCCCN[C@H]1CCC[C@H](C(C)C)CC1 2041494719 LIBIYZLXMZINKL-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C[C@@H]1CCCCC1(F)F)NCCC 2043185988 AYOIPVDEGCYROJ-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=C(C(C)(C)C)[C@]1(O)CCCCC12CCCCC2 2047596674 RJZKXANBARAKDC-QGZVFWFLSA-N 250.426 4.844 30 10 CJEE 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4.617 30 10 CJEE CCCC[C@](C)(C#N)c1ncc(C(F)(F)F)cc1Cl 2108203981 MAQXTWSDSASERK-GFCCVEGCSA-N 290.716 4.725 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCCCCC1(F)F 2108645809 RGOZOMYSXUVGRI-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2109838818 KYRLZSATKKIUFR-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCCNCc1cnsn1 2110817134 LNYWYULYFJGWRK-UHFFFAOYSA-N 283.485 4.549 30 10 CJEE C=C[C@](C)(CNC(C)C)C[C@]1(C)CCCCC1(F)F 2111681886 WNGLODAMIJYWFI-GJZGRUSLSA-N 273.411 4.782 30 10 CJEE CN(C1CCCCCCC1)[C@H]1CCCCC[C@H]1C#N 2112569509 LKJBXGUHMLEBMF-RDJZCZTQSA-N 262.441 4.504 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2114420532 ZNUIUQBDRKENIQ-AJNGGQMLSA-N 273.411 4.616 30 10 CJEE C#CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 2116870089 GJIPJAPUBKPFEW-ZDUSSCGKSA-N 298.257 4.708 30 10 CJEE CC(F)(F)C(C)(C)C[C@]1(C=O)CCCCC12CCC2 2117058530 MGMSHVUACUJVMD-INIZCTEOSA-N 272.379 4.988 30 10 CJEE C=CCCCC[C@](C)(O)c1ccc(C(C)(C)C)cc1 2123111829 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O=C[C@]1(CC2CC3(C2)CC2(CCC2)C3)CC=CCC1 2139220067 XCGQEGOCMDEXHX-MRXNPFEDSA-N 258.405 4.662 30 10 CJEE C=CCCCCCCN1c2ccccc2CC[C@H]1C 2141923907 XVIGOZOIHYCZKW-MRXNPFEDSA-N 257.421 4.964 30 10 CJEE C=CCCCCCCCCCN1CC(C)(C)CC1=O 2142395863 ZAUIPVYWWMMGSL-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCC[C@H](NN)c1ccoc1Cl 2142404673 OSASVRXZFXQAIL-AWEZNQCLSA-N 284.831 4.744 30 10 CJEE C=CCCCCCCCC[C@H](C[C@H]1C[C@@H]1CC)NN 2142450517 MDNRNGDANBZMIL-GVDBMIGSSA-N 266.473 4.561 30 10 CJEE CCCCCCCCCCN[C@H](C)Cc1cccnc1 2143663696 ZFWGJOKLIZFGAQ-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H]1CC[C@H]2C[C@H]1CO2 2145323774 VAEUYMQFXWFJMZ-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccccc1CC(C)C 2145613826 MPSBHCVCJQPFTH-LJQANCHMSA-N 271.448 4.729 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)C1CC2(CCC2)C1 2147023834 GUXWLFOIOFSUOM-INIZCTEOSA-N 280.452 4.637 30 10 CJEE CCCCCCCCCC(=O)[C@]1(O)CCC[C@H](C)[C@H]1C 2147151238 ZDRZHKMGSGBSHS-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE C=C(CC)C[C@H](NCCC)C(O)(CC(C)C)CC(C)C 2147885724 XZJJFBXHOYJWMJ-KRWDZBQOSA-N 283.500 4.534 30 10 CJEE CCCCCCC[C@H](O)[C@@H](N)C[C@@H](C)C1CCCCC1 2148074552 VBAZLEJLIGYTEJ-NJAFHUGGSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)[C@@H]1CCCC[C@@H]1CC 2148577750 HIKBCSNBOHDEAQ-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(C)cc(Cl)c1 2148581446 FQFYIIWPQPVHOC-SJORKVTESA-N 297.870 4.760 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](O)c1cccc(SC)c1 2148586544 AIMRHPZYMJRKKO-IAGOWNOFSA-N 295.492 4.520 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(O)C[C@@H](C)[C@H]1C 2148611963 JFBWRWKSORARDF-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(O)CCC(C)CC1 2148621562 UVOCMPPRZVIHDO-LXPRWKDFSA-N 283.500 4.656 30 10 CJEE C=C(CNC[C@]12CCCC[C@@H]1CCC2)c1ccccc1 2149133356 ILRPIUUTCQOWLG-RTBURBONSA-N 269.432 4.650 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H](OC)C1CCCCC1 2150263176 RDIXQPSXKKLEML-WMZOPIPTSA-N 281.484 4.552 30 10 CJEE CC(C)[C@H]1CCSC(=N[C@H]2CCCC3(CCCC3)C2)N1 2151825133 FQXHLKCTVZVSHU-LSDHHAIUSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@@H]1C=CCCC1 2153132088 QFGVVUGRYIRPHV-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE N#C[C@@]1(C2(O)CCCCCCCCC2)C[C@H]2CC[C@H]1C2 2153466742 VAZHLSUPOMUUCV-ULQDDVLXSA-N 275.436 4.572 30 10 CJEE N#CCCN(CC1CCCC1)[C@@H]1CCC2(CCCC2)C1 2155209888 KFCGUXRHIBVQHB-QGZVFWFLSA-N 274.452 4.505 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2csc(C)c2C)C1 2157218835 IHJLAUQLUZWCQV-BFYDXBDKSA-N 290.476 4.515 30 10 CJEE CC(C)C[C@H]1CSC(=N[C@@H](C)C2CCC(C)(C)CC2)N1 2158437427 ALVBWXFCWCITTH-ZFWWWQNUSA-N 296.524 4.698 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)COC(C)(C)C1 2159396648 JAKIVIZOUGCFCN-SFHVURJKSA-N 281.484 4.674 30 10 CJEE CC[C@@H]1CCC[C@H](CN=C2N[C@H](C)[C@@H](C(C)C)S2)CC1 2159519942 UVRUEKOMFRDFIX-LVQVYYBASA-N 296.524 4.698 30 10 CJEE C=CCOc1ccccc1C(=O)CC(C)(C)C(C)(F)F 2163967914 ZLMNBYZEMWDNPG-UHFFFAOYSA-N 282.330 4.506 30 10 CJEE C=CCOc1ccccc1[C@@H](N)CCC1CCCCC1 2164037768 XYNKJBGLXRKECC-KRWDZBQOSA-N 273.420 4.612 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ncc(C)[nH]1 2164086752 DMVQZMTVBDSFNF-INIZCTEOSA-N 279.472 4.900 30 10 CJEE CCCC[C@](C#N)(CC)[C@](O)(CC)c1cccc(C)c1 2164476607 APXNDDCOKPFWGE-ROUUACIJSA-N 273.420 4.703 30 10 CJEE N#C[C@]1(C[C@@H]2CC23CCC(F)(F)CC3)CCC(F)(F)C1 2165680260 HILBLQUACKKPFY-NEPJUHHUSA-N 289.316 4.921 30 10 CJEE C=CC1(C[C@@H](NCC)c2c(F)cc(F)cc2F)CCC1 2168022442 GGOHZAYTQHVGEG-CQSZACIVSA-N 283.337 4.501 30 10 CJEE C=CC1(C[C@H](NCCC)C2C[C@H]3[C@H](C2)C3(C)C)CCC1 2168023821 OWSFOQWGOLQQTI-ULQDDVLXSA-N 275.480 4.783 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)[C@H]2CCCC(C)(C)C2)CC1 2168615636 YXVCJTOTICXXNV-GJZGRUSLSA-N 277.452 4.674 30 10 CJEE CC(C)[C@H](CC#N)N(C)C1CCC2(CCCCC2)CC1 2171497929 QFIHCFTUQBSBDX-KRWDZBQOSA-N 276.468 4.750 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@@]1(O)CCCC12CCCC2 2173650227 ZXOLFOUVJQWFSJ-ZWKOTPCHSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@@](C)(O)[C@]1(CN)CCCCC1(C)C 2173652658 RVTDCCCBISNYGD-MSOLQXFVSA-N 283.500 4.643 30 10 CJEE CCCCCCCCCOC[C@H]1CNCC12CCCC2 2175215564 YYNKJSYJUKNZCE-QGZVFWFLSA-N 281.484 4.533 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1F 2175532543 GUBAEZDXQUVGAM-MJBXVCDLSA-N 285.284 4.841 30 10 CJEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)C1CC2(CCC2)C1 2177384388 YSJWNCKWMDXKNI-JTQLQIEISA-N 292.785 4.731 30 10 CJEE CCCCCCCCCC[C@]1(N)COC2(CCCC2)C1 2178949402 SUZKVDJJMKFGRN-QGZVFWFLSA-N 281.484 4.948 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)c1C#N 2179072180 UFARJKDGOBPQAI-UNEWFSDZSA-N 286.444 4.517 30 10 CJEE C=CCCCC[C@]1(CNCCC)CCc2ccccc21 2179676074 CKVLVYAMOSKUFG-LJQANCHMSA-N 271.448 4.617 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)Cc2ccc(F)cc2)CC1 2181673985 RPZVAVROQUIWMD-HNNXBMFYSA-N 274.379 4.710 30 10 CJEE C=C(F)C[C@H](NCC)c1ccc(-c2ccccc2)cc1 2182511179 GHDMFHUKKDTZCT-SFHVURJKSA-N 269.363 4.878 30 10 CJEE Cc1cccc(C)c1CNc1cc(Cl)c(F)cc1C#N 2184453524 GCRAPFKGKJHXQA-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=C1CCC(C[C@@]2(N)c3ccccc3CC[C@H]2C)CC1 2185425259 OKWVTGNAPABQGD-BEFAXECRSA-N 269.432 4.559 30 10 CJEE C#C[C@@H]1CC[C@H](NC2CCC3(CCCCCC3)CC2)C1 2185762719 UXVPCGDWCAAVPS-AEFFLSMTSA-N 273.464 4.661 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cnnc(C)c1 2186832624 CXLVYAZLVHNGOI-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)c1cccc(C)c1C 2187468072 KSIPRHLHDVWTIP-SFHVURJKSA-N 287.523 4.615 30 10 CJEE CCCCCCCCC(=O)C1(O)CC(CC(C)(C)C)C1 2188238840 IGMSHSVHJDVXKX-UHFFFAOYSA-N 282.468 4.883 30 10 CJEE CC(C)NC[C@@]1(CC#CC2CCCCC2)CCC1(C)C 2188510308 MWKPCQXTSKZNEP-LJQANCHMSA-N 275.480 4.765 30 10 CJEE N#C[C@]1(CC2C[C@H]3CC[C@@H]3C2)CCc2ccccc2C1 2188994684 GGZRVSLJZQGPSU-LMMKCTJWSA-N 265.400 4.512 30 10 CJEE CC(C)(C)C1(C[C@]2(C#N)CCOC23CCCC3)CCC1 2191972020 NAGFWOOPOMGXLR-KRWDZBQOSA-N 275.436 4.836 30 10 CJEE CCC[C@H]1CC[C@H](CN=C2NC[C@H]([C@H](C)CC)S2)CC1 2192878037 ZDRADHIPMOLDPL-KLHDSHLOSA-N 296.524 4.700 30 10 CJEE CC#CCCCCC(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 2196210016 IKKCIAJZPWSILD-XYCLOBBJSA-N 272.432 4.746 30 10 CJEE C=C(Cl)C[C@@](C)(O)C(c1ccccc1)c1ccccc1 2196483312 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4.652 30 10 CJEE C=CCCCCCCCCC[C@H](O)C[C@@H]1CCCCN1 2207424344 DHDIJLKIOAGSRR-ROUUACIJSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCCNC[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2207428316 XEQQVPVLCNIQOC-FRPQEJHRSA-N 275.480 4.785 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H](CN)CCC 2207433643 BRLVYHYVKPYJCA-ROUUACIJSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCCCN[C@H]1CC[C@H]2CC[C@H]1O2 2207441800 KYMFJLNSCJGSCN-OKZBNKHCSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCCCOC[C@H]1CC[C@@H](C)NC1 2207446847 GOGAVEQGSPMWSQ-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@H](CN)N(CCC)C1CCCC1 2207458485 STBURUGDPAKWFE-GOSISDBHSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)C1=CCCCCCC1 2207460308 JTNBBBVIFZQYHE-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE CCCC[C@](C#N)(CC)c1nc(C(F)(F)F)cs1 2219291161 LQJICCZVJXHSKE-NSHDSACASA-N 276.327 4.523 30 10 CJEE CCCCCCCC[C@@](C)(O)CC[C@H]1CC1(F)F 2223829563 DBEATQRLMQITGB-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1SC 2223847731 HRKBEFXREUUFBA-ARFHVFGLSA-N 271.514 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268.441 4.903 30 10 CJEE CC(C)(C)c1ccc(Cc2nc(CCS)cs2)cc1 2231538990 YYVTUJOMBUEKTC-UHFFFAOYSA-N 291.485 4.504 30 10 CJEE C=C[C@@](C)(CNC1CCC1)C[C@@H]1C[C@@H](C)C[C@@H](C)C1 2231557574 FRPPIKQXLMPZLG-MUQADHOPSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CCO[C@H](C)C1 2231947080 VNPNTPKANMEYBA-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2coc3ccccc23)C1 2232347680 IPWSVGPBKRRYBL-SUMWQHHRSA-N 253.345 4.695 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1cccc2ccoc12 2232397087 XCRNSKCPEVWNOJ-BBRMVZONSA-N 257.377 4.686 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](O)c1scc(C)c1C 2234233730 UZYAMCPJJZNCGC-JKSUJKDBSA-N 297.508 4.737 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc([C@H](C)OC)cc1 2234964777 ZBPSPUIUBRBZBR-MAUKXSAKSA-N 275.436 4.791 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2235519698 SKKHVBBQGUXQRG-QKPAOTATSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](O)CCCCC 2235524051 MANUOMXHJUMSKX-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCC[C@@H](N)C[C@@H]1CC2(CCC2)CO1 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CCCCCCCC[C@H](C)NC[C@H](OC)C1CCCC1 2240665410 CFJQZFLRQQFBID-WMZOPIPTSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCCOc1cc(C)cc(C(=O)O)c1 2240801221 RXKCFCVDYUACLA-UHFFFAOYSA-N 276.376 4.599 30 10 CJEE CC1(C)CC(Sc2cc(Cl)c(F)cc2C#N)C1 2251085328 JVCSWTHQHPXDNY-UHFFFAOYSA-N 269.772 4.631 30 10 CJEE C#CC[C@H](CNc1cc(Cl)c(Cl)cc1C)C1CC1 2255362467 GQRZFBWUFGVWRK-GFCCVEGCSA-N 282.214 4.763 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCC[C@H]2C(F)F)CC1 2257838317 AQZIVRHYRQHMLD-DNCHLWJUSA-N 255.352 4.778 30 10 CJEE CCCCCCCCC1(O)CCC2(CCS2)CC1 2260207050 UZMKDMAUDMTPNL-UHFFFAOYSA-N 270.482 4.918 30 10 CJEE CCCCCCCCCCSC[C@@H]1NCC[C@H]1C 2260354058 FECUEGKJKKODGM-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CCCCCCCCC[C@H](C)[C@H](C(=O)O)C(F)F 2263662024 QUQHWUHABUUTFQ-RYUDHWBXSA-N 264.356 4.729 30 10 CJEE CCCCC#CCC(=O)c1cc(Cl)c(OC)cc1Cl 2266840643 FRMQZINHFBSNIG-UHFFFAOYSA-N 299.197 4.768 30 10 CJEE C=CCCCCCCCCOc1cc(C)cc(F)n1 2267769572 HFUHFPTZFXMYSM-UHFFFAOYSA-N 265.372 4.825 30 10 CJEE 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C=CC[C@](C)(CC)[C@H](C[C@@H]1C[C@H]1C(C)(C)C)NC 2321106872 BFWQVLLGBHWISQ-IVSAIRAKSA-N 251.458 4.639 30 10 CJEE CC(C)(C)[C@@H]1C[C@H]1COC[C@@](C)(CS)C(C)(C)C 2327106984 RSKYWZDQMKBSQP-ZENOOKHLSA-N 272.498 4.667 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329830393 DIRDNBFKUXYSDP-NNPSNHGLSA-N 261.453 4.537 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@]23CCCC[C@@H]2C3)CCC1 2332327507 MCABWAONDJPECM-JFIYKMOQSA-N 261.453 4.681 30 10 CJEE C=C[C@@H](CCCCC)Oc1nc(Cl)nc2cscc12 2335975034 BRRSIRDGHVSJRA-JTQLQIEISA-N 296.823 4.858 30 10 CJEE CCCC1CCC(C[C@@]2(C#N)COCC2(C)C)CC1 2336119170 UJEXKJVBJCBOHY-VMBOVVBDSA-N 263.425 4.549 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1cccc(C)c1 2337110247 YWYZOYZGDJQAKA-NJAFHUGGSA-N 257.421 4.781 30 10 CJEE CCCCCC#CC[C@@H](N)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338788785 YUZUZYWIWCQABH-WNRNVDISSA-N 261.453 4.504 30 10 CJEE CCCCCCCCCCOC[C@H](O)[C@@H]1CC1(C)C 2340942343 IIHAXYRCEHAHQF-HOTGVXAUSA-N 270.457 4.551 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccccc2C2CC2)C1 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4.516 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCCC 2126088368 UGEWZTHAZPXEGM-OAGGEKHMSA-N 269.448 4.938 30 10 CJEE CC1=C(C)[C@H](Nc2cc(Cl)c(F)cc2C#N)CCC1 2128010689 OAQGMFKESVFPPH-CQSZACIVSA-N 278.758 4.652 30 10 CJEE CC[C@H](CCC(C)C)N(C)c1ccc(C#N)c(C)c1 2129488018 ULHZFDKHIDSZBT-MRXNPFEDSA-N 258.409 4.518 30 10 CJEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)[C@H]1CCC1(C)C 2132090035 VQUXWWUQBKCLDF-GXSJLCMTSA-N 280.774 4.587 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(CCC)n1 2132329459 YSHFYURWTXIMHG-CZUORRHYSA-N 280.481 4.739 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)cc(C)c1C 2138322928 UBHSHZAVLIDRJO-KBXCAEBGSA-N 259.437 4.865 30 10 CJEE CCCCCC#CC[C@H](N)C1CCC(C(C)C)CC1 2138960731 GUKYXWKWFRAJSK-ABHNRTSZSA-N 263.469 4.750 30 10 CJEE CCCCC#CC[C@]1(CNCCC)CCCC12CC2 2138983002 BOADYTPMLKRLFA-GOSISDBHSA-N 261.453 4.520 30 10 CJEE CCCCC#CC[C@H](CC1CC2(CCC2)C1)NCC 2138986072 HVJSIRDSFGGEBV-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cc(C)sc1C 2138991671 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253.389 4.684 30 10 CJEE C=CCCS[C@H]1[C@H](NCCC)C(C)(C)CCC1(C)C 2274452042 LLMQJMZNHRQEDF-GJZGRUSLSA-N 283.525 4.879 30 10 CJEE CCCCCCCC1(OCCCN)CC(C)(CC)C1 2277227417 IYFUSKJLLSFKDU-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE C=C[C@@H](C)C[C@H](N)c1ccccc1-c1ccccc1 2277452291 YWKPNHVNRRBMGP-KDOFPFPSSA-N 251.373 4.566 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(C(F)(F)F)s1 2277672761 GMSXQBHCOMZPFW-VXGBXAGGSA-N 291.338 4.520 30 10 CJEE CCCCCCCCC[C@@]1(C)CC(=O)N[C@@H]1C(C)C 2278238727 XJFVJGPADKMBKP-SJORKVTESA-N 267.457 4.678 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@]1(C)COC 2278243015 DCHIIQIDHGYOND-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1CCOC1 2278248179 ZTJMJJMWDXSBMS-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1C[C@H](C)SC(=NCC[C@H]2CCCCC23CC3)N1 2279724921 BXJSJFXEEXRKCL-RRFJBIMHSA-N 294.508 4.597 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)c1sc(C)c(C)c1C 2280017221 KOZJLACRXPRGIH-SJORKVTESA-N 297.508 4.785 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1csc(C2CC2)c1 2283042440 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286.419 4.750 30 10 CJEE FC(F)(F)c1ccc(OCCCCCCS)cc1 82026432 ZOKZAQZEAUPAMG-UHFFFAOYSA-N 278.339 4.574 30 10 CJEE CC1(C)CCC(C#N)(CCc2ccccc2[N+](=O)[O-])CC1 87940040 KMFCPTRNXNXFOM-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE Cc1ccc(CC2(C#N)CCC(C(C)C)CC2)cc1 87959925 XINLTSSENSXWRQ-UHFFFAOYSA-N 255.405 4.894 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CCC(=O)O)C1 88379092 JNWSCWQBINSZIS-KRWDZBQOSA-N 297.483 4.704 30 10 CJEE C=C(C)C[C@@H](NCCC)C1(c2ccccc2)CCCC1 92129625 TUEMWZRUACTEEX-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccc(C)c(C)c1 104363960 XIWJOWGQWIMEIX-GOSISDBHSA-N 261.453 4.924 30 10 CJEE CCCCN(c1ccc(C#N)cc1Cl)[C@@H](C)CC 110256514 WPPRQYHWHSNGDL-LBPRGKRZSA-N 264.800 4.617 30 10 CJEE CCCCCCCCCO[C@@]1(CN)CCC[C@@H](C)C1 115588714 GDVADXQGJWSBPR-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCCOc1cccc2c1CCC[C@H]2O 116380904 NTNTYUSQQJGPBD-QGZVFWFLSA-N 276.420 4.796 30 10 CJEE CCCCCCCC[C@H](NN)c1cc(Cl)ccc1C 122441352 JSGWZDKURBONKX-INIZCTEOSA-N 282.859 4.903 30 10 CJEE 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259.393 4.700 30 10 CJEE CCCCCCCCCC[C@@H](O)CC1(OC)CCC1 232949023 BLOZDFJAVWVYCF-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CSc2ccccc21 233542102 KHMSYDDIYYZYEM-IRXDYDNUSA-N 289.488 4.991 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(F)c1 311417662 LPRWVAXJISDMQU-OAHLLOKOSA-N 281.802 4.569 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccsc1Cl 312579088 JINLFBVQOMIXDX-LLVKDONJSA-N 283.183 4.732 30 10 CJEE O=C[C@]1(CCC2=CCCCC2)CCCc2ccccc21 317207391 KOPNBAKBKGXJEV-LJQANCHMSA-N 268.400 4.740 30 10 CJEE CC(C)c1ccc(C[C@@]2(C=O)CCCC[C@@H]2C)cc1 317431933 PQZXDGBYEAXFMH-MAUKXSAKSA-N 258.405 4.748 30 10 CJEE C=CCCCCC[C@@]1(CNCCOC)CC[C@H](CC)C1 318361753 ZFSQKYQCTWGNFY-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE C=C[C@@H](C)C1(CNCC(C)C)CCCCCCC1 318387842 QFLCBNDJCMGOSQ-MRXNPFEDSA-N 251.458 4.785 30 10 CJEE N#CCCCCCOc1ccc(Cl)c2ccccc12 385239066 AIQYYEOXTRYLGN-UHFFFAOYSA-N 273.763 4.956 30 10 CJEE CCCOc1cccc2c1ccn2CCCCCC#N 385302071 KPEFBYJBHBKJQU-UHFFFAOYSA-N 270.376 4.514 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc2ccsc12 395269375 AVNACCKAPNXYFV-UONOGXRCSA-N 270.401 4.786 30 10 CJEE CCCc1ccc(/C(C)=C/B2OC(C)(C)C(C)(C)O2)cc1 396621594 BPXNYQPAKWZCCI-BUHFOSPRSA-N 286.224 4.674 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H](C)CC(F)(F)F)NN 402529376 TWKWSARLJWWFCL-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE C=C(C)CCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NCC 403363076 FKNFRHBJWXZZPO-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE C=CCCCO[C@H]1CCCCCCCCCC[C@@H]1N 403477403 TURDRVMZJSVYJL-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H]2C[C@@H]2C1 403718633 ZHNOBDDIZXPNSM-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(Cl)cc1Cl 686674356 KMQHAEDAWHMYNB-CQSZACIVSA-N 271.187 4.611 30 10 CJEE C#CCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 686899151 YACRDYHNQGQSRK-GVDBMIGSSA-N 250.426 4.657 30 10 CJEE CC(C)(C)C1CCC(C#N)(CCO[C@@H]2CC2(F)F)CC1 688986478 OUQCHWNVBGVCEY-JVWICGRDSA-N 285.378 4.547 30 10 CJEE C[C@H]1CCCCC[C@H]1N(C)CC1(CS)CCCCC1 691140460 KFTMEARHKZCWON-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](OC)C1CCC1 692703428 OBBABMSNNIDNQG-ROUUACIJSA-N 283.500 4.920 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2cscc2s1 694419951 FROZWSBEDSIZPK-GFCCVEGCSA-N 280.462 4.604 30 10 CJEE C=C1C[C@H]2CC(NC[C@H](C)c3ccccc3)C[C@@H](C1)C2 697305427 WQGINBUIZYDXFF-IAZCMVOBSA-N 269.432 4.515 30 10 CJEE CCCCCCCCCCNCC1C[C@@H]2C[C@H]2C1 697872157 GCLYQUYOVFIZBW-IAGOWNOFSA-N 251.458 4.763 30 10 CJEE CCCC[C@](C#N)(CC)N(CC(C)C)C(=O)OC(C)(C)C 698816826 RGQIHNQKAFRPRO-KRWDZBQOSA-N 296.455 4.742 30 10 CJEE CCCCCCCNc1cc(Cl)c(F)cc1[N+](=O)[O-] 703716428 HJIQDSZWAGKNPC-UHFFFAOYSA-N 288.750 4.770 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cccc2ccsc12 710696317 KQCGFFOQWGRWBA-ZDUSSCGKSA-N 265.809 4.695 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1Nc1cc(C#N)ccc1Cl 713044217 NXWJPPYFUREARF-IAQYHMDHSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCC[C@H](CN)C1 713802918 UPWIVZXKKHENNW-IRXDYDNUSA-N 281.484 4.851 30 10 CJEE C=CC[C@H](C)[C@]1(CNCC(C)C)CCC[C@@H](C)C1 715786497 GCFUESUNHYHXKI-IXDOHACOSA-N 251.458 4.641 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CCCc2sccc21 715815470 RVAJVVPYDSXTOM-LXZKKBNFSA-N 277.477 4.748 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716532174 CUVNRDJBHMLKRH-TWMKSMIVSA-N 297.552 4.727 30 10 CJEE C=C1CCC(C[C@](CC)(C(=O)O)c2ccccc2)CC1 724575864 FLQQDIXWMOFSFJ-SFHVURJKSA-N 272.388 4.556 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C)cc2C)CC1 724603545 XDDVHPSQKSFSJL-SFHVURJKSA-N 257.421 4.700 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C(F)(F)F)cc2)CC1 724605270 JMXROYUZQMDPHP-OAHLLOKOSA-N 283.337 4.842 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC2C[C@H](C)O[C@@H](C)C2)C1 724882281 JTIZPDVZLLHVJY-LJIGWXMPSA-N 263.425 4.690 30 10 CJEE CCO/N=C(/c1ccc(-c2ccccc2)cc1)C1CC1 821229650 OGIGPQYHMRYPDN-HNENSFHCSA-N 265.356 4.504 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc(Cl)cc1Cl 1124315886 VPFLWHVTSIEAFZ-SECBINFHSA-N 273.159 4.501 30 10 CJEE C=CCC(CC=C)C(=O)OC1CCC(C(C)(C)C)CC1 1124594082 GZGNDBFRQCRBCX-UHFFFAOYSA-N 278.436 4.903 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1oc2ccccc2c1C 1127964611 DKAFTFOEXBJBPQ-ZDUSSCGKSA-N 286.371 4.948 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](C)c1ccccc1F)c1ccccc1 1131134851 RCKUMNYBXGFTEP-RDTXWAMCSA-N 298.357 4.790 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 1131602421 LEBTWVOFLJXQEU-NVXWUHKLSA-N 287.447 4.535 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cnc3ccsc3c2)c1 1134838142 NOILOUBMPXVPGV-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)Cc1cccc(C)c1 1206635698 FYHLYSKELJSSDQ-QXAKKESOSA-N 271.448 4.651 30 10 CJEE N#CC1(CN[C@@H]2CCCCC23CCCC3)CCCCC1 1206694776 MGMMFQICHOHDRE-MRXNPFEDSA-N 274.452 4.553 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3sccc3c2)CC1 1264300148 LHGWNWCPKMHAOY-UHFFFAOYSA-N 271.385 4.586 30 10 CJEE C=C(C)CCC(=O)N1CC2(CCCCCC2)[C@@H]1C(C)C 1287906620 VKSMPKPOVQPLSQ-KRWDZBQOSA-N 277.452 4.550 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](CC1CCC1)c1ccccc1 1295775403 TXSKDFNXWHDNCN-GOSISDBHSA-N 285.431 4.636 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C/C(=C\C)CC)c1 1304717880 OQOMIYOXICWQEG-RPBOXMDLSA-N 255.361 4.571 30 10 CJEE C=CC[C@@H](C(=O)Nc1cccc(CC)c1)c1ccccc1 1351954238 KNPGPYDIFCJHJE-GOSISDBHSA-N 279.383 4.547 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccc(F)cc1Cl)C(C)C 1352119636 KBTKHTALCOPMPW-LBPRGKRZSA-N 297.801 4.823 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1352166958 OQJQBWMBDKKNET-UHFFFAOYSA-N 291.700 4.510 30 10 CJEE C#Cc1cccc(N(C)C(=O)[C@@H](CC)CCCCCC)c1 1352790440 JYBGCMMUIXZTLO-KRWDZBQOSA-N 285.431 4.627 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](CC)CCCCC 1354027371 ZRBRDJIYKPYSTE-GOSISDBHSA-N 287.447 4.808 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](C)c1ccc(SCC)cc1 1360176560 XCQMSSRZKMWTPS-ZDUSSCGKSA-N 291.460 4.578 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1onc(C2CCCCC2)c1C 1436593816 IGALAFPOKMNKSD-CYBMUJFWSA-N 290.407 4.572 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCC[C@@H](CC)C1 1461571405 QQJYFCILTHPNET-MISYRCLQSA-N 285.475 4.980 30 10 CJEE C=CC(C)(C)CCCN[C@H](CCc1ccccc1)C(F)F 1462560180 AOXFCQWQDQCFOX-MRXNPFEDSA-N 295.417 4.835 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC[C@](C)(CC)C1)c1ccccc1 1465405343 BHUYSZLERSKZSQ-QUCCMNQESA-N 299.458 4.775 30 10 CJEE C=C(C)CN(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1473336258 SSXSMYBBTYWRAC-HOTGVXAUSA-N 297.364 4.849 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@H]2CCCC[C@@H]2CCC)C1 1474181002 SRJNASNXXZMHJD-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C#CCOc1ccccc1CNc1ccc(C)c(C)c1Cl 1474190409 RMRNPYYOMBXRIT-UHFFFAOYSA-N 299.801 4.581 30 10 CJEE C=CCC[C@@H](CC)N[C@H](c1ncccc1C)C(C)(C)C 1474742292 QKUGLWQGECPAON-NVXWUHKLSA-N 274.452 4.812 30 10 CJEE C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 1518325474 LUQJZWHXXDFHJU-JKSUJKDBSA-N 299.458 4.560 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](CCC)C(C)(C)C)c1ccccc1 1521835190 ULATWMDUSZZQJU-RDJZCZTQSA-N 287.447 4.677 30 10 CJEE C=CCCCCCCNC(=O)[C@@]1(C)CCCc2ccccc21 1532061003 PZWFBKKDNLTVHQ-FQEVSTJZSA-N 299.458 4.533 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(SC)cc1 1535049928 YBPSUGNRMFVWCA-UHFFFAOYSA-N 291.460 4.665 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)c1ccccc1C)c1ccccc1 1538938531 MJUDISMWBSRURQ-LPHOPBHVSA-N 294.394 4.959 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(F)cc1OC(C)C 1560710803 VJPVBAREXJAZFH-AWEZNQCLSA-N 265.372 4.770 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(-c2ccccc2OC)c1 1565649494 GVDVHJCCFYCEGF-UHFFFAOYSA-N 295.382 4.657 30 10 CJEE C=C(C)CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1567778383 DWCQZPVEKUMKGF-QRVBRYPASA-N 297.442 4.528 30 10 CJEE C=CCC[C@H](NC(=O)/C=C(\C)CCC)c1ccccc1 1583036135 BYWHJQOJADCQMQ-ZWKQNVPVSA-N 271.404 4.557 30 10 CJEE C=C[C@H](CC(=O)N1CC[C@H](CC(C)(C)C)C1)c1ccccc1 1584016412 ZHAYHJFVBMAPML-IAGOWNOFSA-N 299.458 4.631 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCCc3c(C)cccc32)CCCC1 1588091727 JZROMLQJHBLGIL-SFHVURJKSA-N 297.442 4.625 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C1CCCC1 1597191311 QCLJOMMOIRIYRL-SFHVURJKSA-N 299.458 4.506 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H](C)CCC(C)(C)C 1611186640 RJAMIEHXLAYURS-AWEZNQCLSA-N 267.457 4.557 30 10 CJEE CCCCCCCCN1CCc2cc(F)ccc2C1 1616419321 OPFMYISSAGUBDL-UHFFFAOYSA-N 263.400 4.544 30 10 CJEE C=C(C)[C@H](NCC(CC)CC)c1ccc(F)c(F)c1 1617345014 KKWLCLSVVJICCA-INIZCTEOSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCCc3c(F)cccc32)C1 1620954029 FYTPTBBYUARTOP-GLJUWKHASA-N 273.395 4.538 30 10 CJEE C#C[C@H](N[C@H](C)CCCCC=C)c1ccc(Cl)cc1F 1621327838 DOKABAVIEFGGOO-DYVFJYSZSA-N 293.813 4.878 30 10 CJEE C=C[C@H](CC(=O)NC1(C2CCCCC2)CC1)c1ccccc1 1627533534 VGKFKYSBIATNIL-MRXNPFEDSA-N 297.442 4.575 30 10 CJEE C=C(CC)CN1CCC(C)(c2ccc(Cl)cc2)CC1 1642979577 CITBMBIQQNJWAY-UHFFFAOYSA-N 277.839 4.660 30 10 CJEE C=CCCCCN[C@H](C)CC12CC3CC(CC(C3)C1)C2 1652251647 VVDDHKFHPXMKOH-CPZBXZKTSA-N 275.480 4.927 30 10 CJEE C=CCC1(NC2CCC(C(C)(C)CC)CC2)CCOCC1 1652792625 YNTYBXJEZNKWPF-UHFFFAOYSA-N 293.495 4.696 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1C 1658119159 HNFMYESYZLHJDH-IBGZPJMESA-N 299.845 4.925 30 10 CJEE C=CCC[C@H](CCC)NCc1coc2ccccc12 1664805520 GYYXTMIKTRBGRC-HNNXBMFYSA-N 257.377 4.657 30 10 CJEE CCCCCCCCCCN=c1[nH]nc(CCCC)s1 1859792687 LYICFNOKOOQAOC-UHFFFAOYSA-N 297.512 4.855 30 10 CJEE CC1CCC(=NOCc2cc(Cl)ccc2F)CC1 1860464058 JEJASTXKBTZKAB-UHFFFAOYSA-N 269.747 4.562 30 10 CJEE C#CCCN(CC(C)C)C[C@H]1CC[C@H](CCC)CC1 1877951393 ADJJSNADNGQZCT-IYARVYRRSA-N 263.469 4.574 30 10 CJEE CCC[C@H]1CC[C@H](CN[C@@H](C)CC(C)(C)C#N)CC1 1878034379 NKHBEAROBIOLHP-JYJNAYRXSA-N 264.457 4.511 30 10 CJEE C=CCCCCN(Cc1ccccc1)Cc1ccco1 1882182672 LPJPLUNSGPLJKU-UHFFFAOYSA-N 269.388 4.638 30 10 CJEE CC#CCCCC[C@@H](O)C1CCC(C(C)(C)C)CC1 1885234844 BPYUZHXIPQUSFI-OFLPRAFFSA-N 264.453 4.784 30 10 CJEE CC#CCCCCC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 1885367496 IYVFLXGBYLVZPH-STQMWFEESA-N 274.326 4.508 30 10 CJEE C=CC[C@H](C)SCc1cc(Br)cs1 1886246896 QRDKIGGWGJWULB-QMMMGPOBSA-N 277.252 4.708 30 10 CJEE C#CC[C@H](CN[C@H](C)c1cc(Cl)ccc1Cl)C1CC1 1887366527 UFCFBKZOPWXIGR-DGCLKSJQSA-N 296.241 4.694 30 10 CJEE C=CC[C@H](C)c1cc(Cl)cc(Br)c1F 1887412971 OVGFAHDTZCOSMP-ZETCQYMHSA-N 277.564 4.921 30 10 CJEE CC1(C)CCC[C@@H](N=C2N[C@H](C3CCCC3)CS2)CC1 1911902180 MPPILDKMKGSKIU-CABCVRRESA-N 294.508 4.597 30 10 CJEE CC[C@@H]1CC[C@@H](N=C2NC3(CCCCCC3)CS2)[C@H]1C 1911928142 ARAXBJYQFMXVPZ-RRFJBIMHSA-N 294.508 4.597 30 10 CJEE CCC(CC)[C@H]1CNC(=NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)S1 1912023222 CPQSHXZVWCUGGT-ORIJERBGSA-N 296.524 4.556 30 10 CJEE CCCCCCC[S@@](=N)(=O)Cc1cc(C)cc(C)c1 1917888177 XOUJCYQUVDVGEG-LJQANCHMSA-N 281.465 4.821 30 10 CJEE CCCCCCC[C@](C)(N)Cc1cccc(Cl)c1 1919505408 ROJHFTNLDZDYSO-INIZCTEOSA-N 267.844 4.960 30 10 CJEE C=CCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1919672251 KGBVAWCBXYUAHA-FQEVSTJZSA-N 296.410 4.829 30 10 CJEE CCCCCCC[C@](C)(O)C[C@@H]1C[C@H](C)O[C@H](C)C1 1919901823 BJNNCNOURMRAJW-HZMVEIRTSA-N 270.457 4.692 30 10 CJEE C=CCOc1ccc([C@H](O)C[C@H]2CCC[C@@H](C)C2)cc1 1920024225 PRSRSYYRBBDHSM-RVKKMQEKSA-N 274.404 4.501 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1ccc(Cl)cc1C 1920347474 MIUPLFOBBMTGQW-IAGOWNOFSA-N 297.870 4.760 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCCC)C1=CCCC1 1920949651 SXXHHTMLVWYONE-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccnc2)C1 1921700217 WJDPZRSLSZGKOU-FMKPAKJESA-N 288.460 4.918 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2OCCCC2(C)C)C1 1923772763 MDPGTMSJMSABGJ-VYDXJSESSA-N 263.425 4.692 30 10 CJEE CCCCCCC[C@H](N)c1nccc(C)c1Br 1926841041 VLBUDWIZKKSYJN-LBPRGKRZSA-N 299.256 4.513 30 10 CJEE C=C(CC)C[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1933744260 JAYHEUFFHGMSHQ-HXUWFJFHSA-N 295.426 4.796 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1cc(Cl)c(Cl)s1 1958104935 IWPHGEFEDBXXIN-GMSGAONNSA-N 265.205 4.691 30 10 CJEE C=C(Br)CCNc1cccc(C(C)C)c1 1959692858 WIFVJLCWFSDGFT-UHFFFAOYSA-N 268.198 4.521 30 10 CJEE CCCCCCCCCCN1CC[C@](O)(C(C)(C)C)C1 1966528063 RQAYNEZBQPSUOH-GOSISDBHSA-N 283.500 4.610 30 10 CJEE C[C@@H](C[C@@H](C)Nc1ccc(C(C)(C)C#N)cc1)C(F)F 1970318583 MZBHRCIDKHSEHR-NWDGAFQWSA-N 280.362 4.579 30 10 CJEE COc1ccc(C#N)cc1CSCC1CCC(C)CC1 1970537789 HCIUOMGWGWYYHV-UHFFFAOYSA-N 289.444 4.626 30 10 CJEE CC(C)(CNc1ccc(Cl)cc1C#N)C1CCCC1 1971682199 YAWDBHFQDJGJJA-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc(Cl)cc(Cl)c1 1975910343 LIEMPPQRZUUZKV-VIFPVBQESA-N 257.160 4.778 30 10 CJEE Cc1cc(Br)sc1C(=O)C1=CCCCCC1 1978469012 HLXPVIBWEZQJGE-UHFFFAOYSA-N 299.233 4.892 30 10 CJEE CC[C@](C#N)(Cc1ccc(Br)cc1)C(C)C 1986404660 HTBLSCQHTUMZIU-CQSZACIVSA-N 280.209 4.568 30 10 CJEE C[C@@H]1C[C@@](C#N)(CCC(C)(C)C2CC2)CCS1 1997337569 GLSHXFRHOHKNAW-IUODEOHRSA-N 251.439 4.628 30 10 CJEE C=CC1(C[C@H](O)c2ccc(C)cc2Br)CCC1 2002629012 YDPAZNQNZYOBGW-AWEZNQCLSA-N 295.220 4.537 30 10 CJEE C=C(C)CCCNc1ccc(C(F)(F)F)cc1F 2027880341 JVQPPPZGIXZPJM-UHFFFAOYSA-N 261.262 4.613 30 10 CJEE CCCCCCCOC[C@H](NC)c1ccc(Cl)s1 2028833866 NOKGAGAATDJTEX-LBPRGKRZSA-N 289.872 4.649 30 10 CJEE CCCCCCC[C@@H](CCOCCCC)NCC 2033736773 ABZXRSZJUBHCEO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCC(CS)(CCC)CSc1ccncc1F 2035395684 OZSFLHZVEWABGV-UHFFFAOYSA-N 287.469 4.829 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@H](C)[C@@H]1C(C)C 2035408063 IXXAEWDZSNUSKM-XHSDSOJGSA-N 251.458 4.639 30 10 CJEE C=C([C@H](NCC)c1c(Cl)cncc1Cl)C(C)(C)C 2045700156 XPQJHLZHXDGCJT-ZDUSSCGKSA-N 287.234 4.641 30 10 CJEE C=CC1(C[C@H](CCCC(C)C)NCCC)CCC1 2049034498 CAVOTLNRPKZPJE-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=C1C[C@@H]1C[C@H](O)[C@H]1CC[C@H](CCCCC)CC1 2049686052 FUOYQDSDZVUQDY-VQHPVUNQSA-N 250.426 4.700 30 10 CJEE CC[C@H](OC[C@@H](CS)CC1CC1)c1ccccc1 2050058598 BVKOGZVXSMEJSP-HOCLYGCPSA-N 264.434 4.500 30 10 CJEE C=C(C)C[C@@H](O)c1ccc(-c2ccccc2F)s1 2051373453 YZCNCCLWBFJSHB-CYBMUJFWSA-N 262.349 4.554 30 10 CJEE Cc1cc(C[C@]2(C#N)CCCC23CC3)ccc1Cl 2053370961 LGECGQKVGGMSLY-INIZCTEOSA-N 259.780 4.665 30 10 CJEE CC1=C(C)[C@H](Nc2ccc(C#N)c(Cl)c2)CCC1 2055551232 GHTDXFLTBAOMQN-OAHLLOKOSA-N 260.768 4.512 30 10 CJEE C=CC[C@@](C)(NCc1cccc(Cl)c1Cl)C(F)F 2061760173 LFFQPQOFIDQOHM-CYBMUJFWSA-N 294.172 4.683 30 10 CJEE C=C(F)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 2062221947 QZBPQOIKTPEXGE-HRCADAONSA-N 255.421 4.548 30 10 CJEE N#C[C@]1(CC[C@]23CCC[C@@H]2C3)CCCC(F)(F)C1 2065232948 WMICSZPQURQKSO-RDBSUJKOSA-N 253.336 4.676 30 10 CJEE C=CCCCCCCNCC1(C(C)(C)C)CCC1 2071954926 ZFYPRGMZDLLBLO-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCCC(C)(C)C1)OC(C)(C)C 2072128463 DASPTUKJBRXRCT-BBRMVZONSA-N 251.414 4.690 30 10 CJEE CC1(C)CC(C[C@]2(C=O)CC2(C)C)CC(C)(C)C1 2083038898 PCDASDRUVDSLKY-QGZVFWFLSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCN1C[C@H](C(C)C)CC[C@@H]1C 2085857706 BHSVYVIGTXHVIN-DLBZAZTESA-N 251.458 4.879 30 10 CJEE C=CCCCCCCCCNCC[C@@H](C)C1CC1 2086281483 WCBISONWVNSFHD-MRXNPFEDSA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@H](NC)C1=Cc2ccccc2C1 2088993318 UETCZECFTDDPOR-SFHVURJKSA-N 257.421 4.575 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1nncs1 2089630569 XRVLHTRNGDJKSJ-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE CCCN[C@@H](CC#CC1CC1)c1ccc(Cl)cc1Cl 2090198020 BNVOJILQLOIDLQ-INIZCTEOSA-N 296.241 4.838 30 10 CJEE CCCCCCCCC(=O)[C@H](O)C(CC)(CC)CC 2090987110 HBQVBLOJXHZZGG-INIZCTEOSA-N 270.457 4.883 30 10 CJEE O=C(C=Cc1ccccc1)[C@@]12CCCC[C@H]1CCC2 2092750320 ZEHKPNNCGAXRDH-FUHWJXTLSA-N 254.373 4.629 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](OC)C1CCCC1 2093726009 YTTADKKGEDVCNK-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE Cc1cccc(C#N)c1NCCC1(C)CCCCC1 2094200595 WXBKHEVESULNNA-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C[C@@H]1CC[C@H](OC[C@@H](CS)c2ccccc2)[C@H](C)C1 2096179784 PCWHNFZDGQNLIH-JHNDHUHGSA-N 278.461 4.541 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCC(F)(F)CC1 2097430838 YUVBANQKNQLHDD-ZDUSSCGKSA-N 284.737 4.614 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)[C@@H]1CC12CCCCC2 2100557997 WYEPRQQVJHUTRH-GJZGRUSLSA-N 274.795 4.614 30 10 CJEE C[C@@H]1CC[C@@H](CN(C)CC2(CS)CCCCCC2)C1 2101698617 GJNZBFNSWFQNMS-HZPDHXFCSA-N 283.525 4.625 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC[C@H](C)C1)NN 2101698698 GQUHMJCHAWPULC-YESZJQIVSA-N 268.489 4.785 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc2c(s1)CCC2 2102111813 OXLKFYQSHBFGHW-CXAGYDPISA-N 277.477 4.880 30 10 CJEE C=C1C[C@@H]1C[C@H](O)c1ccc(-c2ccccc2F)s1 2102469754 RVJRCLFRQOWLJN-RISCZKNCSA-N 274.360 4.554 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1COC(C)(C)C1 2103103822 SBESAUXAWCOUGG-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE C#CCCCCC[C@H](NCC)C1CC(C(C)(C)C)C1 2104927162 ICMDAHKPMNOTCP-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCC[C@@H](CC)CO[C@@H]1CC(C)(C)CCC1=NO 2105698110 RCALAZHYZPUCNB-UKRRQHHQSA-N 269.429 4.628 30 10 CJEE CCCCCCCC[C@@]1(O)CCC(C)(C)C[C@H]1OC 2105722318 LCJNAFLNQIYVNI-NVXWUHKLSA-N 270.457 4.693 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)C(C(C)C)C(C)C 2108206459 KYCSZRMLRBLNRB-IAGOWNOFSA-N 267.457 4.776 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc3ncccc3s2)C1 2108729067 ROHKTJGCKAAEAV-BLLLJJGKSA-N 270.401 4.559 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)C[C@H]1CC12CCC(F)(F)CC2 2109401312 ZNZPWZRVRRWEBW-UMVBOHGHSA-N 270.363 4.597 30 10 CJEE CC1(C)CCC[C@@](C=O)([C@@H]2[C@H]3CCCCC[C@H]32)CC1 2111894469 SUTFCMNVNCKPCI-MUQADHOPSA-N 262.437 4.988 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@@H]2CCCC3(CC3)C2)c1 2112654012 RONCBRITNKJVST-CYBMUJFWSA-N 274.795 4.594 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2114416789 CONHFXKUQBNCMI-MCIONIFRSA-N 268.347 4.518 30 10 CJEE C[C@@H]1CCN(CC2(CS)CCCCCC2)C2(CC2)C1 2115374118 LNBGHILSTIQBNT-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)c1ccnc2ccsc12 2117013054 FWRSTPLSSFVGAG-MRXNPFEDSA-N 270.401 4.658 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@H](c2ccsc2)CS1 2118996993 RPGZBZVDQAJSQK-KGLIPLIRSA-N 296.505 4.841 30 10 CJEE CCCCCCCCC[C@@H]1N[C@H](c2cccs2)CO1 2119004170 IUTMAXYLZJZFEF-GOEBONIOSA-N 281.465 4.876 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1cccc(F)c1Cl 2119573848 XPJIGDMTIGPYHO-HUUCEWRRSA-N 283.774 4.623 30 10 CJEE C=CCCCCC[C@H](NCC)C1(CC(F)(F)F)CC1 2120198639 JNWPBWICAQPRFR-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE C[C@H]1C[C@](C=O)(Cc2ccc3sccc3c2)CCS1 2120701837 WFMPFBRGOVHFPY-LRDDRELGSA-N 290.453 4.545 30 10 CJEE C[C@@H](CCC(C)(C)C)Nc1cc(Cl)c(C#N)cc1F 2120888081 QVDOHUVSEMXAPS-JTQLQIEISA-N 282.790 4.977 30 10 CJEE C[C@](C#N)(C[C@H](F)C1CCCCC1)c1ccccc1 2121735603 HICZGQYISRFYOY-DLBZAZTESA-N 259.368 4.776 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 2123085198 SXKKWUZZLHEFTH-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE C=CCCCC[C@H](NC)c1ccc2ccccc2c1 2123086010 QLJMBZSXLVXKED-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CC[C@H]1CC=C(C(=O)c2cc(F)c(F)cc2Cl)CC1 2125213152 CMPDCCKOGMDSIC-VIFPVBQESA-N 284.733 4.937 30 10 CJEE C=C1CC(C[C@H](CCCc2cccs2)NCCC)C1 2125735701 MWFONULKLVXGFC-INIZCTEOSA-N 277.477 4.795 30 10 CJEE C=CC1CC(Nc2ccc(OC(F)(F)F)cc2Cl)C1 2125868344 VFJWTJFGQCWXAV-UHFFFAOYSA-N 291.700 4.615 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2127026606 UHXLHRQCUSGRGR-LUKYLMHMSA-N 263.469 4.783 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC1C[C@@H]2CCC[C@H]2C1 2127034952 XOAWSPXDCGNIFA-BQFCYCMXSA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](C)n1cc(N)c(C(C)(C)C)n1 2127492299 NJVYDUAYFKPZLW-ZDUSSCGKSA-N 265.445 4.684 30 10 CJEE C=CCCCC[C@@H](NCC)[C@@]1(C)CCCC(F)(F)C1 2132146054 OBMYCRSXISEHNI-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CC1(CN[C@H](C)c2cccc(C)c2)CCCCC1 2132974340 USSXNPQUWGUXCM-MRXNPFEDSA-N 257.421 4.782 30 10 CJEE CCCC1(C[C@]2(C#N)CCc3ccccc32)CCC1 2133100140 GHJQFJZJRVRULW-SFHVURJKSA-N 253.389 4.755 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@@H]2C[C@H]2C2CCCCCC2)C1 2135643864 JNWGNFWBCYDCBH-LAVFITLUSA-N 262.437 4.988 30 10 CJEE C=CC1(CN(C)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCC1 2136439355 XHAKDRGMDAAFKF-BRWVUGGUSA-N 261.453 4.633 30 10 CJEE C=CCCCCCCNCc1cc(C)cc(C)c1C 2138283492 RLWGKZSEDOQYRQ-UHFFFAOYSA-N 259.437 4.838 30 10 CJEE Cc1cc(C)c(C)c(C[C@@]2(C=O)CCCC[C@H]2C)c1 2138293094 FOPYFAHOVSYLBC-CRAIPNDOSA-N 258.405 4.550 30 10 CJEE O=C[C@]1(C(F)(F)F)CC12CCC1(CCCCC1)CC2 2138798377 DUVQFUFMAVLWNG-CQSZACIVSA-N 274.326 4.649 30 10 CJEE CCCCCC#CC[C@@H](O)C1CC2(CCCCC2)C1 2138958782 KRPIYMLPQDSLGT-QGZVFWFLSA-N 262.437 4.682 30 10 CJEE CCCCCC#CCN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2138963672 NYKSGXKQOWRTLR-OKZBNKHCSA-N 263.469 4.621 30 10 CJEE O=C(CC1C2(CCC2)C12CCC2)C1=CCCCCC1 2139106476 FXWFMIYXGXUWNZ-UHFFFAOYSA-N 258.405 4.807 30 10 CJEE C#C[C@@H](NCc1ccc(-c2cccs2)s1)C(C)(C)C 2140983272 GPCSJMQWOVTWTK-OAHLLOKOSA-N 289.469 4.614 30 10 CJEE CSc1cccc(N[C@H]2CC[C@@H](C(C)C)C2)c1C#N 2141206746 OXVSKXONKCYLIM-OLZOCXBDSA-N 274.433 4.517 30 10 CJEE C=CCCCCCCCCC(=O)CC[C@@H](C)CCN 2142431770 NSPXTUSCNWOIBQ-MRXNPFEDSA-N 267.457 4.627 30 10 CJEE C=CCCCCCCCC[C@H](NC)C1(C(F)F)CC1 2142439594 BKXPFFQVPCUMPD-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCCCCOC[C@@H](N)CCC=C 2142446685 PSNMETCDJWSYBB-KRWDZBQOSA-N 267.457 4.603 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCCC)C(C)(C)C 2142462382 QTKUMONCWMCJGB-JKSUJKDBSA-N 271.489 4.512 30 10 CJEE CC1(COc2c(C#N)oc3ccccc23)CCCCC1 2143831260 PNXPLVQEKMBUNM-UHFFFAOYSA-N 269.344 4.654 30 10 CJEE CC(C)(CN=C1N[C@H](C(C)(C)C)CS1)C1CCCCC1 2144299222 RDLMJPUAJPTNNX-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCCC)C(C)(CC)CC 2147798443 QDBYTZBDLPCKFI-IAGOWNOFSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(O)CCC[C@@H](C)CC1 2148589134 ISSJJVBTOIJSEH-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H](O)[C@@H]1C[C@@H]1C 2148620404 QPORYARRRJTHTJ-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CC[C@]1(C)CCSC(=NC[C@]23CCCC[C@H]2CCC3)N1 2149133491 CJVURIUBKOBCAU-USXIJHARSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCNCC[C@H](C(C)C)N(C)C 2149232415 YTHXPWUNBUYOOI-GOSISDBHSA-N 284.532 4.693 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cc(F)c(F)c(F)c1F 2152448229 VOMWPJHSSKUPCM-LBPRGKRZSA-N 289.316 4.640 30 10 CJEE C=C1C[C@H]2CC(NCc3ccccc3SC)C[C@@H](C1)C2 2152752580 GMQFWLNVEARQRB-FKEKPDDDSA-N 287.472 4.633 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@]1(C)C[C@H]1C(F)(F)F 2156893977 QMCWQFOWSAZOET-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE CN[C@H](CC#CC1CCCCC1)CC12CCC(CC1)C2 2157148157 IWVOFOYARHMFLV-JLAWEPINSA-N 273.464 4.519 30 10 CJEE C#C[C@H](Nc1ccccc1SC1CC1)c1ccccc1 2158421944 XGNNDVOFXHOWQB-INIZCTEOSA-N 279.408 4.728 30 10 CJEE CC[C@H]1CCC[C@H](N(C)c2ccc(C)cc2C#N)CC1 2159503992 FRRBXXGTKDPPMT-RDJZCZTQSA-N 270.420 4.662 30 10 CJEE C=C1CC(CNCCC)(Cc2ccc(C(C)C)cc2)C1 2159595391 RKTNIXUHXZFPHB-UHFFFAOYSA-N 271.448 4.689 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ncoc1C1CCC1 2160418252 KDWKJRKRLSWLQF-UKRRQHHQSA-N 276.424 4.585 30 10 CJEE C=CCOc1ccc([C@H](NCCC)C(C)(C)CC)cc1 2164196424 MOWKSDUOPHPLSC-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1nc(C2CC2)cs1 2164226961 NIVUYNIMVDWBHL-OAHLLOKOSA-N 290.476 4.645 30 10 CJEE C=C([C@@H](NCC)c1ccc(CC(C)C)cc1)C(F)(F)F 2164253607 AGNHXOQWSUVDQH-OAHLLOKOSA-N 285.353 4.654 30 10 CJEE CCCCCCCCCC[C@@H](N)C1([C@H]2CCCO2)CC1 2164364653 DHJBRXXLJLLZSK-IAGOWNOFSA-N 281.484 4.804 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC12CCCCC2)NN 2165746908 RKDKUWMCIFJECQ-DLBZAZTESA-N 280.500 4.929 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1C[C@H]2CCCCCC[C@H]21 2166183707 NDGRCYGOEOXHLG-BRWVUGGUSA-N 276.468 4.655 30 10 CJEE O=CC1(C[C@@H]2CC3(CCCC3)CO2)CCCCCCC1 2166229275 YXFCXLUWBQSIIL-MRXNPFEDSA-N 278.436 4.655 30 10 CJEE C#CC(C)(C)C[C@H](C[C@H](C)c1ccccc1)NCCC 2167604005 NLHWGMOBEYZCEB-WMZOPIPTSA-N 271.448 4.598 30 10 CJEE C=CC1(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CCC1 2168029895 AKFUIEWETMKWQM-AWEZNQCLSA-N 284.321 4.659 30 10 CJEE CO[C@@H](C[C@@]1(C=O)CCCC(C)(C)C1)C1CCCCC1 2168512748 DWRLJRFVSVEQRJ-WMZOPIPTSA-N 280.452 4.757 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H](O)c2cccc(Cl)c2)C1 2169730798 PGEYVJQZVFSLGD-COXVUDFISA-N 291.822 4.874 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@]1(O)CCCC2(CCC2)C1 2173631522 DRRAPDLHQUXKMX-MSOLQXFVSA-N 275.436 4.572 30 10 CJEE Cc1cc([C@]2(C#N)CCCCC2(C)C)ncc1C(F)F 2173636576 URKGCKPLHVUHPR-MRXNPFEDSA-N 278.346 4.689 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H]1Cc2ccccc2S1 2173652004 NCXKUCJALZQRBA-QAPCUYQASA-N 288.456 4.879 30 10 CJEE CCCCCCCCCCC[C@H](NN)[C@H]1CCC[C@H]1F 2175517754 CQXLMMTUVKEWOK-BBWFWOEESA-N 286.479 4.877 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)C1(C#N)CCC2(CC2)CC1 2176622289 WTTGGMFAPJNSNF-CRAIPNDOSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@H](O)[C@@H](C=C1CCCC1)NCCC 2177037552 VDQLREQVCUQLEV-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE CCSc1cccc(NC(CC)(CC)C(F)F)c1C#N 2179938473 WYFFQCYFTRQLQZ-UHFFFAOYSA-N 298.402 4.906 30 10 CJEE C=C1CC(C[C@H](NC)[C@H](c2ccccc2)[C@@H](C)CC)C1 2182167555 BNFNEEROIRIJSI-SNRMKQJTSA-N 271.448 4.761 30 10 CJEE CC[C@](C#N)(Cc1ccn(C2CCCCC2)n1)C(C)C 2184365831 ATQAHHHJTOBSGO-QGZVFWFLSA-N 273.424 4.507 30 10 CJEE 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4.782 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)[C@H]1CCCCCC1(F)F 2197155513 QOEPRRPUHHQOJM-HZPDHXFCSA-N 279.374 4.503 30 10 CJEE CN(C[C@H](CS)C(C)(C)C)C[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2197999017 CFFOCKIPWJLVGL-CAOSSQGBSA-N 297.552 4.583 30 10 CJEE Cc1cc(O[C@@H]2CCC[C@H]3CCCC[C@@H]32)ccc1C#N 2201106602 WDILNYWNKFNCMD-FHLIZLRMSA-N 269.388 4.604 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)c1cc(Cl)ccc1C 2201338294 MGSZFMGBFXFVGO-IRXDYDNUSA-N 297.870 4.630 30 10 CJEE CC[C@H](C)[C@@H](C(=O)C1=C[C@H]2CC[C@H]1C2)c1ccccc1 2201367313 LYSWRWKOLBFKRQ-ILXVDBEPSA-N 268.400 4.742 30 10 CJEE CN(CC1CC(C)(C)CC(C)(C)C1)C[C@H](CS)C1CC1 2203189332 PLGBSFQERAFCPX-MRXNPFEDSA-N 297.552 4.727 30 10 CJEE CCCCCCCOC[C@H](NCC)[C@]12CCCC[C@@H]1C2 2203771554 ZZIPVNCOOKTSCB-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE CCCC#CCC1(CNCC(C)C)CCC(F)(F)CC1 2203832027 HNLULQJILORZGG-UHFFFAOYSA-N 285.422 4.621 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1ccc(Cl)c(C)c1 2206896962 JQWKAOVBXXCTGV-KRWDZBQOSA-N 294.822 4.778 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H](O)CCC(C)C 2206902999 OMYXMJWVGOYCHN-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H](O)C1(C)CCC1 2207408274 IIPLQEPCJMFJAF-DLBZAZTESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCCC[C@@H]1CN 2207410117 PJFZLCTZWMJWBK-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)c1cscc1C 2207427570 NYHJUVNDQDXAKU-DLBZAZTESA-N 295.492 4.724 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1CC(C)C 2207439644 BQKCBWLDWRZOKV-BZSNNMDCSA-N 280.500 4.807 30 10 CJEE CC=C(CC)[C@@H](NCCC)[C@@H](O)CCCCCCCC 2207455357 CICOEVLUBUDIES-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@H](O)CC(C)(C)[C@H](C)NCCC 2207458309 SDNQCNSOKPTHOY-DLBZAZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](N)CCC[C@@H]1CC1(C)C 2207470463 SBZNHLQXGBEJAN-IKGGRYGDSA-N 283.500 4.642 30 10 CJEE CC(C)N[C@@](C#N)(CSC1CCC1)C1CCCCCC1 2208100584 NDPAVJSXBSDYPA-KRWDZBQOSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCC[C@@](C)(N)CSC(C)C 2214612428 BVSXWEOADTWGOW-OAHLLOKOSA-N 257.487 4.762 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCCSCC1 2214619657 CPQWMRRGXCFDDA-OAHLLOKOSA-N 256.455 4.551 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)CCCCC1CC1 2220012488 HUTMHEPPCKOPMD-GOSISDBHSA-N 271.470 4.750 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H](CC)[C@@H]1C 2220083836 QICCEIWSLJAEMH-YESZJQIVSA-N 251.458 4.927 30 10 CJEE CC1=CC[C@@](C)(Nc2ccc(C#N)cc2Cl)CC1 2221607494 PNUFQZWFGXMDQN-OAHLLOKOSA-N 260.768 4.512 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)CCCC(F)F)CC1 2222478348 VZEQVUUKSPLBFK-GFCCVEGCSA-N 258.352 4.764 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)CC1CCC1 2222827444 HUUVXIJNUAAPHP-GOSISDBHSA-N 271.470 4.750 30 10 CJEE CCCCCCCCCOCCN[C@@H](C)CCC 2223221580 HQXSNSYDZWTECO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCC#CC[C@@H](O)C1C[C@H]2CCC[C@H](C1)C2 2225321246 HSAUFAPXKZSDJZ-XYJFISCASA-N 262.437 4.538 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 2225347373 HUIUUNDKTBLNOA-DFBDCSAJSA-N 262.437 4.988 30 10 CJEE Cc1csc(CN(C)CC2(CS)CCCCC2)c1C 2225843451 WZUAUDCAIXKJGG-UHFFFAOYSA-N 297.533 4.677 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(C)nc(C)c1 2227274902 WAUFLZLGKYKWDX-QGZVFWFLSA-N 261.409 4.649 30 10 CJEE CCCCCCCC[C@H](O)C1C[C@H]2CSC[C@H](C1)C2 2228469599 WYYIMYGVMSBWIK-ZOBUZTSGSA-N 284.509 4.877 30 10 CJEE C=CCCCCC[C@H](N)C1(C)CC2(CC(F)(F)C2)C1 2230584631 KYPZVIPYQRRYAF-ZDUSSCGKSA-N 271.395 4.666 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2230674854 VWTHUPPPPIWOHN-IXDOHACOSA-N 263.469 4.785 30 10 CJEE O=C[C@@]1(CCCCCCCC2CC2)CCCOCC1 2230869953 CVZUUZYQFMJYQU-KRWDZBQOSA-N 266.425 4.513 30 10 CJEE CCCCCCCCCCCCO[C@H]1CC[C@@H](O)C1 2231028771 UHCBLJBUFWVGIY-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2231903615 XMGJDVLXIKVFRN-MULDDASSSA-N 264.453 4.780 30 10 CJEE CC1(C)CCC[C@](C=O)(CCCCCCCCO)CC1 2233205652 CQEYXHQIIXVNST-GOSISDBHSA-N 282.468 4.885 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233615833 PCJBWXDZDOENMI-QDMKHBRRSA-N 282.374 4.908 30 10 CJEE C=CCCCCO[C@H]1CC2(CCCCCC2)CC[C@H]1O 2234039511 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CCCCCCCC[S@](=N)(=O)C[C@@H]1CC12CCC2 2254038357 UWMPGONTJLYTRC-KSSFIOAISA-N 271.470 4.584 30 10 CJEE CC(C)(C)C#CC=CCc1cc(Cl)cc(Cl)c1O 2256682493 AAXDIQDATBVISH-UHFFFAOYSA-N 283.198 4.847 30 10 CJEE C=CCCSc1c(CN[C@@H](C)CC)sc(C)c1C 2258981105 LYNFXDOUCUOUCT-NSHDSACASA-N 283.506 4.921 30 10 CJEE C=C(C)CCCCN(CCC(F)(F)F)C1CCC1 2259177553 ZDYRFFHIINIEKR-UHFFFAOYSA-N 263.347 4.540 30 10 CJEE N#Cc1cc(F)c(SC2CC3(CCC3)C2)cc1Cl 2260478166 VNLIOQQDQCBCDE-UHFFFAOYSA-N 281.783 4.776 30 10 CJEE CCCCCCCCCC(CC)(CC)OCCN 2262682781 JQIFHELPPRZJJI-UHFFFAOYSA-N 257.462 4.661 30 10 CJEE CCCCCCCCCC[C@@H](CCC)OCCN 2262700740 PPMNOTJKGKAZJU-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)CCC)OCCN 2263025852 AFNFZDZDOOFUAL-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@H](C)OC 2263671895 RZDABOGLAFVTAQ-HOTGVXAUSA-N 258.446 4.693 30 10 CJEE CC(C)C[C@H](C(C)C)[C@@H](O)CC=CC#CC(C)(C)C 2268829640 IKCSNFQSRGFMAE-SJORKVTESA-N 264.453 4.661 30 10 CJEE CCCCCCCCCC[C@@]1(CN)C[C@]1(C)COC 2269301297 ONRYTUMHXVSLKV-SJORKVTESA-N 269.473 4.519 30 10 CJEE C=CCCCCCCCSC[C@H](NCC)[C@@H]1C[C@@H]1C 2271595777 BQBMLISGDABMCC-BBWFWOEESA-N 283.525 4.880 30 10 CJEE C=C[C@@H](C)CCN[C@H](C)c1oc2ccccc2c1C 2273025819 KWRHWPNISURQDE-TZMCWYRMSA-N 257.377 4.604 30 10 CJEE N#Cc1ccc(Cl)cc1OC[C@@]12CCCC[C@H]1CC2 2273476548 FNZUXRUHUFMGOP-BBRMVZONSA-N 275.779 4.561 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CC[C@H](C)C1 2276543454 LJGOOEAHKZXFCF-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CC1(C)C)OCCN 2276544047 NPQMZVTYMDHVHG-HOTGVXAUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C)CCOC 2278231489 ZDBJZJBPHLBXQX-DLBZAZTESA-N 271.489 4.778 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2scnc2c1 2278668365 YXSYLSHNFQTUMF-UHFFFAOYSA-N 271.385 4.760 30 10 CJEE CCCCC#CC[C@H](NCC)c1cc2cccnc2s1 2280192460 QZHGIKDFSPHKFC-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C#N)CCOC12CCCCC2 2280466547 QICUYVXZLCXYQM-BRWVUGGUSA-N 275.436 4.836 30 10 CJEE CC(C)(C)C#CC=CCNc1ccc(C2CCC2)cc1 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CCCCCCCN[C@@H](C)Cc1ccc(Cl)cc1 59422917 LOXRLXSBYBAXQA-AWEZNQCLSA-N 267.844 4.831 30 10 CJEE C=CCC(C)(CC=C)NC(=O)c1ccc(Cl)cc1Cl 59482521 SQRZTDSNDJCGPL-UHFFFAOYSA-N 298.213 4.634 30 10 CJEE CCCCn1nc(C#N)cc1-c1ccc([C@H](C)CC)cc1 76849378 ODPODMWEABDIHC-CQSZACIVSA-N 281.403 4.735 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1ccc(Cl)c(C#N)c1 80141255 IDKFCGFZJJSUCH-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)CC1 86891563 OVCSETUDQMXGMK-IUODEOHRSA-N 262.784 4.614 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2)C1 87930463 MZUHXSGGEDZZKQ-WFASDCNBSA-N 292.220 4.712 30 10 CJEE CCN(CC1(CS)CCCCC1)C1CCCCC1 94578182 LBUQYBBRIOPZIU-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE C[C@H](C[C@@H]1O[C@@H]1C)c1c(Cl)ccc(Cl)c1Cl 107503821 RUMZFKBXRHHDAW-XSSZXYGBSA-N 279.594 4.928 30 10 CJEE CCC#CC[C@H](C)c1c(C)cc(OCC)c(C)c1C 107638816 HDYZPEPBGLEHDG-ZDUSSCGKSA-N 258.405 4.918 30 10 CJEE CCCCCCCCOc1ccc(C)cc1CNCC 110101847 KERWYLGUYJYFHS-UHFFFAOYSA-N 277.452 4.844 30 10 CJEE 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4.756 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncnc2c(C)csc12 692249968 BGVVBELMOWABOX-QWHCGFSZSA-N 287.432 4.547 30 10 CJEE CCCC1CCC(C=O)(CCOC2CCCCC2)CC1 701399321 QRZWXKANSXGLBP-UHFFFAOYSA-N 280.452 4.901 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccccc1OCC 704006221 PXJICMBSHIBHBX-HNNXBMFYSA-N 275.436 4.728 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)c1ccsc1 704038831 IGQSZGIJNFJFFG-AWEZNQCLSA-N 251.439 4.781 30 10 CJEE CCCCCCCCCCCCN(CC)[C@@H](C)C(=O)O 707973716 YXRLWPZTHGBAIO-INIZCTEOSA-N 285.472 4.702 30 10 CJEE CCCCCCCCCCCCN(C)[C@H]1CCC[C@H]1O 708713997 ZRKHWSUEFLEEAA-ZWKOTPCHSA-N 283.500 4.753 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CSc2ccccc21 709356414 SOYMAFPCYSTMRV-FVQBIDKESA-N 273.445 4.558 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1Cl 709383579 VANCDWSWUBJCHM-DZGCQCFKSA-N 274.795 4.758 30 10 CJEE CCCCCCCCC[C@H]1[C@H](NCC)CCN1C(C)C 712133061 ZLSWQLWHUBOLOS-MSOLQXFVSA-N 282.516 4.588 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCC 712977458 ATWMBHJECPUQSP-IKGGRYGDSA-N 251.458 4.761 30 10 CJEE C[C@H]1CC[C@H](/N=C2/NC3(CCCCCCC3)CS2)CC1 713179207 AQPXMNUVMFPYCN-SHTZXODSSA-N 294.508 4.741 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 714289827 YYKDYWRMZCQZPF-APHBMKBZSA-N 288.822 4.982 30 10 CJEE C=C([C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(F)(F)F 714435887 GASZQXHDLDKPCE-YJNKXOJESA-N 289.385 4.690 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cscc1C(F)F 717187330 FHINKJHNQREJDF-NSHDSACASA-N 279.783 4.869 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCC[C@H]3C[C@@H]32)CC1 724592962 WASXIKWVKMEUSI-MHORFTMASA-N 261.453 4.537 30 10 CJEE CC1(C)CC[C@H](/N=C2/N[C@H](C3CCCCC3)CCS2)C1 725103691 GKOIEDLIBHGVRZ-GJZGRUSLSA-N 294.508 4.597 30 10 CJEE N#Cc1cccc2c(C(F)F)c(C(F)(F)F)sc12 725276940 MPOSNBYLOHFHCR-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE N#CCc1cc(SC(F)(F)F)cc2sc(F)cc12 725304750 FYXQRBRWDNSNTF-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE CC(C)(C)c1cc(CC2CCCCC2)ccc1C#N 725447856 AWGKTHFGICTBCH-UHFFFAOYSA-N 255.405 4.979 30 10 CJEE CCCCCCCCCOc1cc(F)cc([N+](=O)[O-])c1 1165888709 HCZQKLDXCZEXQD-UHFFFAOYSA-N 283.343 4.863 30 10 CJEE C=CCCCCCCCNCc1ccccc1Cl 1178859730 GVXTWCGMSRSKRL-UHFFFAOYSA-N 265.828 4.956 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(CCC)cc1 1178939488 HPKPQFPDOAEEKH-NRFANRHFSA-N 293.454 4.916 30 10 CJEE C=CCC[C@H](CC)NCc1cn(C(F)F)c2ccccc12 1183247456 CQZBADWEAUTPOI-AWEZNQCLSA-N 292.373 4.871 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(-c2cnco2)cc1 1204938901 UNSRLXZGQCCYJY-OAHLLOKOSA-N 270.376 4.888 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(OC(C)C)c2)C1 1205908298 RCTXWDHNRZOONM-HOCLYGCPSA-N 259.393 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc3ccncc23)c1 1289568285 PMKHAQQJWMJQBC-UHFFFAOYSA-N 288.350 4.520 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C)C3(CCC3)C2)CCCCC1 1295645382 WVKJQYMVEPONDR-INIZCTEOSA-N 289.463 4.552 30 10 CJEE C=CC[C@@H]1CCN1Cc1c(OC(C)C)ccc2ccccc12 1308138993 BYZYJSNWOJDHPE-QGZVFWFLSA-N 295.426 4.777 30 10 CJEE C=CC[C@@H](C(=O)Oc1ccc(Cl)cc1)c1ccccc1 1352491432 NGDDUHDOVZJZCP-MRXNPFEDSA-N 286.758 4.605 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 1353398542 IRCMAIHXELQLCM-IBGZPJMESA-N 299.458 4.945 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C(C)=C/c1ccccc1Cl 1357587580 SLVRRNJHBSOMSP-FNDVETGQSA-N 291.822 4.604 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(C(C)(C)CC)cc1 1436140585 JRQDZJALCPNXKD-UHFFFAOYSA-N 259.393 4.525 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 1439081174 OULKFIGKZKKRPS-ZWKOTPCHSA-N 299.458 4.516 30 10 CJEE C=CC1CCN(Cc2ccc(C(C)(C)CC)cc2)CC1 1473166396 VFMUKNXLCBMUQE-UHFFFAOYSA-N 271.448 4.772 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(CCCC)cc2)CC1 1522761126 CQLSDZCZBMZHGL-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCN(Cc1ccccc1F)C(=O)[C@@](C)(CC)CCC 1534732248 ZBRAMPHZYGEWMK-SFHVURJKSA-N 291.410 4.557 30 10 CJEE C#CCCCCC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1535683436 ZNLYBHPEKCXGIQ-AWEZNQCLSA-N 283.415 4.604 30 10 CJEE C=CCC[C@H](C(=O)Oc1ccc(F)cc1C)c1ccccc1 1535865668 VPNRTMNPLXGQGM-KRWDZBQOSA-N 298.357 4.790 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2OC2CC2)c1 1539558027 PDONOVCQVWZASS-UHFFFAOYSA-N 293.366 4.513 30 10 CJEE C=C(C)c1cccc(NCc2ccc(C)c(C)c2)c1 1560612088 WUFILBQKYJFBGF-UHFFFAOYSA-N 251.373 4.949 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(CC3CCC3)c2)C1 1560923201 UVWCLHRAXDYKAS-SFHVURJKSA-N 283.459 4.817 30 10 CJEE C=CCC[C@@H](C)NCc1c(Cl)oc2ccccc12 1560930741 MCCMTVUWXYYFFU-LLVKDONJSA-N 263.768 4.531 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 1584085831 HKDKRYRBFVTMLA-XYVMCAHJSA-N 286.415 4.714 30 10 CJEE C=CC1(CC(=O)N[C@@H](C)CCC=C(C)C)CCCCC1 1587753854 SBKWRIKYZZRJKM-INIZCTEOSA-N 277.452 4.764 30 10 CJEE C#C[C@H](NC(=O)[C@](C)(CCC)CCCCCC)C(C)(C)C 1597001617 FAMZIOXENSYHRD-QFBILLFUSA-N 293.495 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)CC1CCCC1 1617465389 GMDFTVHVTDHLBC-KSZLIROESA-N 291.479 4.844 30 10 CJEE C=CCC[C@@H](CCC)NCC1(C(F)(F)F)CCCC1 1621464061 SFUJBIWOMURGRB-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 1625512888 RUVYEEDMRSOTJJ-BRWVUGGUSA-N 291.479 4.702 30 10 CJEE C=CCC[C@@H](NC(=O)CC(C)=C(C)C)c1ccccc1 1631090793 ONMJIFJFWWFNHE-QGZVFWFLSA-N 271.404 4.557 30 10 CJEE C=C(CC)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 1643650112 IDOKXJNXQZRUEA-UHFFFAOYSA-N 286.322 4.640 30 10 CJEE C=CCCC(C)(C)NCc1cccc(C)c1Br 1651363738 MEBVYROIERTTTB-UHFFFAOYSA-N 296.252 4.592 30 10 CJEE C=CCC[C@@H](NCC[C@H]1CC1(Cl)Cl)c1ccccc1 1653071733 PSDKTNCWTKOZAG-LSDHHAIUSA-N 298.257 4.867 30 10 CJEE C=CCOc1ccc(CN[C@H](C)CCC(C)C)cc1Cl 1655179856 CBEQTBUQYKLADK-CQSZACIVSA-N 295.854 4.819 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ccccc2)cc1 1657538327 REPDZLXWBTWBSW-KRWDZBQOSA-N 294.398 4.830 30 10 CJEE CCCCCCCCN1CCC[C@@H]1c1cccc(C)n1 1657547945 QOOTYBVASYKZHJ-GOSISDBHSA-N 274.452 4.887 30 10 CJEE C=CCC1(CNCc2ccc3ccccc3c2O)CCCC1 1658101193 DZBPOXGBBJVKCB-UHFFFAOYSA-N 295.426 4.772 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H]1CSc2ccccc21 1658174982 XERJOVLPTOMIEP-LSDHHAIUSA-N 275.461 4.600 30 10 CJEE C(#Cc1ccccc1)CN1CCCCC[C@@H]1c1ccccc1 1658463658 BNBKZTNJACFULJ-OAQYLSRUSA-N 289.422 4.655 30 10 CJEE C=C[C@@H]1CCCCN1Cc1c(CC)ccc2ccccc12 1658480811 WMIWPVIEDQNDNV-GOSISDBHSA-N 279.427 4.943 30 10 CJEE C=CCN(Cc1ccc(C)cc1F)CC1CCCCC1 1663979405 HXFKALFSMMQZCF-UHFFFAOYSA-N 275.411 4.702 30 10 CJEE C=CC[C@@H]1N(C(=O)O[C@H](C)CC(C)C)CCCC1(C)C 1668915398 JILKLQXQVSAMFV-CABCVRRESA-N 281.440 4.624 30 10 CJEE C=CCCC(C)(C)CNC(=O)N(C)CCC1CCCCC1 1684557847 YYUTWNYEKFIQDV-UHFFFAOYSA-N 294.483 4.591 30 10 CJEE N#Cc1ccncc1-c1ccc(Cl)c(Cl)c1Cl 1848373125 FTKSFUFHTUUVOU-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#CCc1c(Cl)cncc1-c1cccc(Cl)c1Cl 1848376881 PHVQCTZUHABRDL-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCN=c1[nH]c2cc(C)c(Cl)cc2o1 1859788639 WEAUQNDYAVRIGL-UHFFFAOYSA-N 294.826 4.984 30 10 CJEE CC(C)c1ccc(Nc2ncc3c(c2C#N)CCCC3)cc1 1859850135 ONTFCVSVAHXUHL-UHFFFAOYSA-N 291.398 4.699 30 10 CJEE CCCCCCC[C@@H](CC1(C(C)(C)C)CCC1)NN 1876744441 AHQDEDKUIQRGEG-HNNXBMFYSA-N 268.489 4.785 30 10 CJEE CCCCCCCCN1CCCc2ccccc2C1 1883319686 LNKYATBVHMWGAH-UHFFFAOYSA-N 259.437 4.795 30 10 CJEE CC1=C(C)C(=O)[C@H](C[C@@H](C)COCc2ccccc2)CC1 1884704651 OZGNYUDCOABJPZ-KDOFPFPSSA-N 286.415 4.545 30 10 CJEE C=CCCN(CC#CC1CCCCC1)Cc1ccccc1 1886641747 GUEOEKDOLCWVCO-UHFFFAOYSA-N 281.443 4.648 30 10 CJEE C=C[C@H](C)C[C@@H](O)c1cccc(OCc2ccccc2)c1 1886860991 PAGBJIKATVKESC-HNAYVOBHSA-N 282.383 4.511 30 10 CJEE CCCCN(C[C@@H](C#N)C(C)C)C1CCCCCC1 1888624588 KETHJFCBNIFOBY-MRXNPFEDSA-N 264.457 4.607 30 10 CJEE CC(C)CN(C[C@@H](CS)C(C)(C)C)C1CCCCC1 1888760998 HRRVJFZTVBCMIA-HNNXBMFYSA-N 285.541 4.869 30 10 CJEE C=CCC(CC=C)Sc1cc(Br)ccc1N 1899396760 DYGKZRZUDDELHS-UHFFFAOYSA-N 298.249 4.644 30 10 CJEE C=CCC(CC=C)Nc1cc(C)ccc1Br 1900967296 IRKHNQIJXJHZMC-UHFFFAOYSA-N 280.209 4.690 30 10 CJEE CCC[C@H]1CCSC(=N[C@H](C)CC2CCCCC2)N1 1912049782 LOWGLCSQKPFYFJ-HIFRSBDPSA-N 282.497 4.597 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(F)c(Cl)c1F 1912932512 UHJBSERLNXNSDV-SMDDNHRTSA-N 299.792 4.843 30 10 CJEE CCCCCCC[C@](O)(c1cccs1)C1CC1 1919877533 WIPHCCGGGNXHOJ-OAHLLOKOSA-N 252.423 4.706 30 10 CJEE CC1(C)CCC[C@](O)([C@@]2(C#N)CCCC23CCC3)CC1 1921303459 FDIIUAAQHZZILK-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE CCCCCCN=C1N[C@@H](CC2CCCCC2)CS1 1926687766 VRQXMDNVQITIHH-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE N#Cc1ccc(N(Cc2ccccc2)C2CCCC2)c(F)c1 1932026969 FFTFWIDGZKMHHC-UHFFFAOYSA-N 294.373 4.647 30 10 CJEE CCC(=CC(=O)Cc1cccc(Br)c1C)CC 1940311766 DCAKGFYYGCJHBK-UHFFFAOYSA-N 295.220 4.616 30 10 CJEE CCCC[C@](C)(C#N)CCCOCc1ccccc1 1953632905 OYQORVGQLINKOZ-KRWDZBQOSA-N 259.393 4.703 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(CCC=CBr)C1 1961326860 UEDLFDFLMCFTDG-STQMWFEESA-N 270.214 4.785 30 10 CJEE C#CCCN(Cc1ccccc1C(C)C)C1CCCC1 1962747931 KGIBVJHZEPJRKW-UHFFFAOYSA-N 269.432 4.578 30 10 CJEE CCCC(C)(C)CNc1ccc(C#N)c(Br)c1 1973174118 XMRQJFGLKAPJML-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE C=CCC[C@H](C)C(=O)c1cccc(C)c1Br 1975935942 PPWWBKPCMZIPHL-NSHDSACASA-N 281.193 4.543 30 10 CJEE Cc1csc(C(=O)C2=CC[C@@H](C)CC2)c1Br 1985232004 MZBPUGKNDLZHHO-MRVPVSSYSA-N 299.233 4.748 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(C)c(Cl)c1 2005347547 QHSXDCZKRFEBJT-NHYWBVRUSA-N 251.801 4.511 30 10 CJEE CCCCCCCCN(C)C[C@H](CS)CCC 2019938906 POSPJDPZTMUWFE-OAHLLOKOSA-N 259.503 4.625 30 10 CJEE CCCCCCC[C@]1(C)C[C@]1(C=O)C(F)(F)F 2024239924 PKIBRHRJJVXXTH-VXGBXAGGSA-N 250.304 4.505 30 10 CJEE SCCCCCCCCCN1CC[C@@H]1C1CCC1 2028260371 FQAMAKJOSLGIJZ-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE C=CC[C@H](CNC(C)C)CC1C[C@@H](C)C[C@H](C)C1 2031828283 RBRYQZUNKYPVHD-JYJNAYRXSA-N 251.458 4.639 30 10 CJEE CCC[C@@H](CS)CN1CCCCC12CCCCC2 2032666292 LAVQRNQOSYYDIL-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE CCCCCCCC(=O)c1ncc(C(F)(F)F)s1 2038494177 WDOSTFHCPMXDGM-UHFFFAOYSA-N 279.327 4.705 30 10 CJEE Cc1cc2sc([C@@H](O)CC#CC(C)(C)C)cc2s1 2038896027 YBZWGWLGEFMQOF-NSHDSACASA-N 278.442 4.744 30 10 CJEE COCC(C)(C)C[C@@]1(C#N)CCCC(C)(C)CC1 2039380820 LONCWJBXUUQLMS-MRXNPFEDSA-N 251.414 4.549 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@H](C)C1CCCCC1 2040522107 LLFYFBUTHGPJJT-ZMSDIMECSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCS[C@H](C)C1 2041712318 NZUKHOKKFUXQGW-ARFHVFGLSA-N 271.514 4.857 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H]1C(F)F 2041790583 CSPQUVZQCALBBE-CHWSQXEVSA-N 260.368 4.988 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cc(C(F)(F)F)cs1 2043049202 LBKDSJYWRCPOJP-JOYOIKCWSA-N 273.323 4.639 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCCC1=O 2043769772 BQQXQJJTGOIDRL-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCCC[C@](C#N)(CC)Cc1cnc(Cl)cc1C 2050080099 UEHLTRRDQABGNI-OAHLLOKOSA-N 264.800 4.696 30 10 CJEE C=C[C@@H](C)CC(=O)c1cccc(Cl)c1C(F)(F)F 2053065059 OVMRWWMWGFCODM-MRVPVSSYSA-N 276.685 4.754 30 10 CJEE Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl 2054813937 KDUBQUFJXGWUIF-UHFFFAOYSA-N 266.543 4.517 30 10 CJEE FC(F)Oc1cc(S)c(C(F)(F)F)cc1C(F)F 2060216730 WZVCZVLYGZJHRC-UHFFFAOYSA-N 294.191 4.533 30 10 CJEE C=CC[C@@](C)(NCC(CCC)CCC)C(F)(F)F 2061766717 WPQZHNIDBUWNBI-CYBMUJFWSA-N 265.363 4.690 30 10 CJEE CCCCCCCCN[C@@H](C)C(F)(F)C(F)(F)F 2062153698 ZKSZOQLHXWETGW-JTQLQIEISA-N 275.305 4.523 30 10 CJEE N#CC1(CC2CCC(F)CC2)CCC(F)(F)CC1 2065258428 OLNCAYUHOZGSAA-UHFFFAOYSA-N 259.315 4.624 30 10 CJEE 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CCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CC1CCC1 2360385218 YQPQPTDGIVQOCD-GOEBONIOSA-N 284.440 4.643 30 10 CJEE Cc1ccccc1N/N=C/c1ccc(Cl)cc1Cl 7892116 QEFPYBVTKKECHL-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE CCCc1ccc([C@H](C)Nc2cccc(F)c2C#N)cc1 36138773 FPIWDCGTSYJQHX-ZDUSSCGKSA-N 282.362 4.823 30 10 CJEE C[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 36805603 XTWCROADVZUNCX-YGRLFVJLSA-N 283.293 4.535 30 10 CJEE Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccccc1C#N 37203103 MHYGZULTGSQPOY-LLVKDONJSA-N 299.443 4.794 30 10 CJEE CC(C)Oc1ccc(N[C@@H](CC#N)c2ccccc2)cc1 55016143 KBPQIDGNIBLZDL-SFHVURJKSA-N 280.371 4.541 30 10 CJEE CCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccccc1 71465160 KWZBVYYPSKEJSJ-UHFFFAOYSA-N 294.785 4.777 30 10 CJEE CC[C@H](C)Oc1ccccc1-c1cc(C#N)c(C2CC2)o1 77083391 NEUREJURUAQPPS-LBPRGKRZSA-N 281.355 4.873 30 10 CJEE CCCc1ccc2c(c1)c(C(=O)CC#N)cn2C1CCCC1 84865693 SKBZVPCCJNGKKB-UHFFFAOYSA-N 294.398 4.805 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)CC1 86954393 CJMOTGWJZVLOFT-JKSUJKDBSA-N 270.420 4.965 30 10 CJEE N#Cc1ccc(Sc2cccc(F)c2)cc1C(F)(F)F 94623101 XHBXELANCXEWEN-UHFFFAOYSA-N 297.276 4.867 30 10 CJEE C=CCCC[C@H](CSc1ccc(C)cc1)NCCC 97333153 PYPLFWJDCRQNBB-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE N#CCCCCc1ccc(Oc2ccccc2)cc1 98128849 OIBPQLFFHJYQIP-UHFFFAOYSA-N 251.329 4.715 30 10 CJEE CCCCCCCC(=O)[C@@H](C#N)c1cccc(C)c1 103705111 VACCHVPPIUWGLM-INIZCTEOSA-N 257.377 4.532 30 10 CJEE CCCCCCCOCc1ccc(CNCC(C)C)o1 107345002 CSDDAAIIXKRZHV-UHFFFAOYSA-N 281.440 4.512 30 10 CJEE CC(C)C1CCC(Nc2ccc(Cl)c(C#N)c2)CC1 109807108 UUVHGDAKJPWEBC-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCCO[C@@H](c1ccc(C)cc1)[C@@H](N)CC 109987444 XBBMEBAYKIMCID-ROUUACIJSA-N 277.452 4.760 30 10 CJEE CCCCCCCCO[C@@H](C)CNCc1cccs1 110239564 ODNPOSMSMNOYRV-HNNXBMFYSA-N 283.481 4.603 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]2C2CCCC2)C1 110265201 WKMIQQIFWKXHAJ-NXWXRZEISA-N 288.479 4.750 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C)ccc2C#N)cc1 110381846 QOLPFTCXVSLDTC-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CCCCCCCCC[C@@H](O)c1cccc(F)c1 112885010 JQBCEBVIHRVZNZ-MRXNPFEDSA-N 252.373 5.000 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(C(F)(F)F)cc1 113083358 WYBYIHPRJRBUNX-OAHLLOKOSA-N 287.369 4.936 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@H]1C(C)(C)C 114058969 HFBMVSBBGOVBKJ-ZWKOTPCHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@H](Cc1ncccc1C)NC 117688903 ZIBHNZSFMUCUCT-KRWDZBQOSA-N 276.468 4.661 30 10 CJEE CCCCCCCCC[C@@H](N)C(C)(C)N1CCCCC1 118145820 RQLNPUQKMQRKBQ-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@H](O)[C@@](C)(CC)N(CC)CC 118155305 YQRILMLCZQCKBP-DLBZAZTESA-N 271.489 4.608 30 10 CJEE CCCCCCC[C@H](O)c1ccc2cccnc2c1 123233460 CWKZOHHCHMFFFS-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](OCC)C(C)(C)C 123616909 SYERMCLYHGLDST-JKSUJKDBSA-N 272.473 4.939 30 10 CJEE N#Cc1ccc(Cl)c(NCCC2CCCCC2)c1 125637890 OIXWTGXHSRHYAX-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H](c2cccs2)C2CC2)c1 125718179 OJTGGBVKMCVXDS-HNNXBMFYSA-N 288.803 4.836 30 10 CJEE Cc1cc(N)c(Cl)cc1Oc1c(C#N)oc2ccccc12 125964018 YLPKHYZUJYEDKK-UHFFFAOYSA-N 298.729 4.641 30 10 CJEE CC(C)(C)c1ccc(Oc2c(F)cc(C#N)cc2F)cc1 127468339 VRPDDFKZPHULMW-UHFFFAOYSA-N 287.309 4.926 30 10 CJEE CN(Cc1cc(Cl)ccc1Cl)c1ccccc1C#N 127541505 KFDOKKYAIOUAED-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)C[C@@H](C)N(C)C1 127622106 JCUZRLMTFFJRII-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H](C)OC 129144963 HGTHNVFEHRIEJP-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCOC1)NCC 130369558 JMSFBCFIDXJZGG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE N#CC[C@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 131685874 YPECHSUNBPLUCE-HNNXBMFYSA-N 274.726 4.546 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@@H](O)CCCC2 135413052 WXFHDDBGPSLZHD-KRWDZBQOSA-N 263.425 4.608 30 10 CJEE CCSc1cccc(N(CC)Cc2ccccc2)c1C#N 136619688 WUPUJWBWWZEOLE-UHFFFAOYSA-N 296.439 4.697 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O 158726545 PUTQIUFANNCRSG-OTWHNJEPSA-N 295.511 4.753 30 10 CJEE CCCCCCCCCOc1c(Cl)cccc1CO 159645790 IGTXSWXGOJVWMR-UHFFFAOYSA-N 284.827 4.962 30 10 CJEE CCCCCCC[C@@H](CCCc1ccccc1)NC 163313281 XYFGGNHKCJUVLH-SFHVURJKSA-N 261.453 4.958 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)CCCC(F)(F)F)CC1 163798603 IKWYOIBHTFYIPT-ROKHWSDSSA-N 291.357 4.580 30 10 CJEE N#Cc1cc(F)cc(CSCc2ccc(Cl)cc2)c1 165995070 MRRQLNTVKUUDAY-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE CCCCCCCCCCCCC(=O)CCCNC 167568161 WDSRMXNAAJQXSF-UHFFFAOYSA-N 269.473 4.866 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCCc2ccccc21 203381289 HTVQIBIDHAOXGR-QGZVFWFLSA-N 254.373 4.566 30 10 CJEE CCCCCCCCCc1nc2c([nH]1)C[C@H](C)CC2 216969589 HIBOESKOXZZXTD-CQSZACIVSA-N 262.441 4.828 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@H]2CCC[C@@H](C)C2)CC1 218623883 BCBRJNWTQGXBKD-NGPICZKLSA-N 277.452 4.674 30 10 CJEE CCC(CC)(CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 228070453 KFSQLFNTQSNBHU-IJEWVQPXSA-N 284.509 4.954 30 10 CJEE C=CCC[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC 228819286 NHGZXMNWUAAFBD-CYBMUJFWSA-N 261.409 4.759 30 10 CJEE C=CCCCCCC(=O)c1cnc2ccsc2c1 232569747 SMTHMKFDWRVJLX-UHFFFAOYSA-N 259.374 4.616 30 10 CJEE CCCCCCCC[C@@H](O)c1ncccc1Cl 232936338 BGMVXNPIMRHRDJ-CYBMUJFWSA-N 255.789 4.519 30 10 CJEE CCCCCCCCCNCCc1cccc(OC)c1 232944920 VYBUBSDCAWPALR-UHFFFAOYSA-N 277.452 4.578 30 10 CJEE CSCCCCCCNc1cccc(Cl)c1C#N 235036972 NFBJDDPEAXCKCB-UHFFFAOYSA-N 282.840 4.547 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1 235542743 JCDZTUYNWHGFAT-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1occc1SCC1(CS)CCCCCC1 235812429 YRKYSACHLRPXCX-UHFFFAOYSA-N 270.463 4.951 30 10 CJEE C=CCCCCCNc1ccc(OC(F)(F)F)cc1 236117659 YFMSLNIWADDQJX-UHFFFAOYSA-N 273.298 4.744 30 10 CJEE C=CCCCCC[C@H](N)CCCc1cccs1 236301146 PJJBEVZDHQSDHE-AWEZNQCLSA-N 251.439 4.535 30 10 CJEE O=C(C1=CCCCC1)C1(c2ccccc2)CCCCC1 236392797 WELXSVFHSYHCPY-UHFFFAOYSA-N 268.400 4.958 30 10 CJEE CCCCCCCCCCN[C@@H](C)C(C)(C)OC 302411592 KUFDLPJQYRFYQV-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE N#Cc1c(Cl)cccc1OCc1sccc1Cl 306083370 IZYVFLFGPGXTIO-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE C[C@H]1CC(n2ccc3c(C#N)cccc32)C[C@H](C)C1 311268049 QTUMKHDDQPLZDM-CHWSQXEVSA-N 252.361 4.510 30 10 CJEE CC(C)(C)C1CCC(C#N)(c2ccc(Cl)cn2)CC1 311384829 YSYAZYQLFKWUFG-UHFFFAOYSA-N 276.811 4.733 30 10 CJEE CC1(COc2ccc(C#N)cc2C(F)(F)F)CCCC1 312689054 OESSVGGRCRALFA-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@]2(C=O)CCCc3ccccc32)C1 316477401 RQYAVVAQBXRPGO-WXSAJPJJSA-N 270.416 4.532 30 10 CJEE CCCCCCCCOc1c(N)ccc(Cl)c1C 381006894 PEGHLWNYARFARV-UHFFFAOYSA-N 269.816 4.970 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CCOc2ccccc21 384830128 GRQJMPODUSTCJX-IIDMSEBBSA-N 269.388 4.663 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(CC(C)C)cc1 384911993 DOLCPRUDJXQDBL-HNNXBMFYSA-N 259.437 4.748 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@]2(CCC[C@H](C)C2)CS1 391325827 IAKFCFZHAHLUST-YOEHRIQHSA-N 296.524 4.844 30 10 CJEE CCCCCCCCCCCCNCCC1(CO)CC1 395887478 DOLVUMQJNSMRLX-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCSc2c(F)cccc21 398205189 XUEUTPOSBSQSSS-DOMZBBRYSA-N 279.424 4.697 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)C(C)(C)C 399121075 ONLNUTPOHFUGNB-GJZGRUSLSA-N 256.478 4.641 30 10 CJEE CCCCCCCCCC[C@H](O)CC[C@@H]1CCOC1 401324690 AVOMGAAHRBELCM-SJORKVTESA-N 270.457 4.695 30 10 CJEE CCCCCCCC[C@H](N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403337765 SPSRPZMVYPLLRH-NCOADZHNSA-N 251.458 4.891 30 10 CJEE C[C@@](C#N)(Cc1ccc(Cl)c(F)c1)c1ccccc1 405701921 PLCBFCCIFVTRIT-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=CCCc1ccccc1NCc1ncc(Cl)s1 409859156 YPLHYDUVNSKXLW-UHFFFAOYSA-N 278.808 4.527 30 10 CJEE N#CCc1ccc(-c2c(Cl)cccc2Cl)nc1Cl 514263156 HMEHOSHOBGOJGJ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE Cc1cc(C(F)F)c(OC(F)F)c(C(F)(F)F)c1 575664133 BHCGXJISNPDSDH-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C#CCCCCCC1(O)CCC(C(C)(C)C)CC1 686680797 ADTNFDQGJPQIAJ-UHFFFAOYSA-N 250.426 4.538 30 10 CJEE CC(C)(COc1ccc(C#N)c(Cl)c1)c1ccccc1 686733161 TWGRWMLODBWIHA-UHFFFAOYSA-N 285.774 4.568 30 10 CJEE CC#CCC1(CNC(C)C)CC(C)(C)CC(C)(C)C1 687950998 KPXGJMRHLFWYLP-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE N#C[C@@]1(Cc2ccsc2Cl)CCc2ccccc2C1 688005242 CMGBSXXLUDXNOE-INIZCTEOSA-N 287.815 4.643 30 10 CJEE Cc1ncc(CC2(C#N)CC(C)(C)CC(C)(C)C2)s1 688310626 ZJNZUYLJUZZUME-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CCCCO2)C1 688343495 YCFMSMWCHMJPRZ-CQSZACIVSA-N 263.425 4.692 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cccc(CC#N)c1 691052698 HEUYACYHGPFQGS-DOTOQJQBSA-N 256.393 4.523 30 10 CJEE CCCCCCCCCCNC[C@@H](OC)C1CCC1 692839088 NPZSPDAGYGQRJT-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCC[C@@H](CNc2ccc(Cl)cc2C#N)C1 695661214 RXJLNMXPWJTJCY-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE C=CCCSCCNCCCCCCCCC 696133295 YAIXTTBHTXHBLT-UHFFFAOYSA-N 257.487 4.636 30 10 CJEE CCCCCCCCC[C@@H](O)C(C)(C)[C@@H]1CCCNC1 696609564 HHRDMVLNEIIOES-IAGOWNOFSA-N 283.500 4.514 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)[C@@]1(C)CC[C@@H](C)C1(C)C 698984428 BENKKIUIGOYINU-JTDSTZFVSA-N 277.496 4.867 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCCOC2CCCCC2)C1 699952768 XNKIEMXYMYPPJL-NVXWUHKLSA-N 266.425 4.511 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](C)Oc1ccccc1 700665724 PIEHURAESSISIQ-SJLPKXTDSA-N 277.452 4.793 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H]1CCCC(C)(C)CC1 704471082 NXTPLYYITVTSOO-MRXNPFEDSA-N 270.420 4.662 30 10 CJEE CCCCCCC[C@](C)(N)[C@H]1CC2CCC1CC2 704510072 VGZZSTSFAWAJEX-GQGLESIBSA-N 251.458 4.891 30 10 CJEE C#C[C@H](N[C@@H](C)c1cc2ccccc2s1)C(C)(C)C 705329731 CFRPUHFWJRJPQS-LRDDRELGSA-N 271.429 4.600 30 10 CJEE CCCCCCCCC[C@]1(N)CCCN(C(C)C)CC1 707492607 PLXBGCJTHYUSTN-SFHVURJKSA-N 282.516 4.719 30 10 CJEE SCCCCCCOc1cccc2sccc12 707650206 NDUVQSXRHHRVQV-UHFFFAOYSA-N 266.431 4.770 30 10 CJEE CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 710769086 PJCGZYJLLIYKNE-QGZVFWFLSA-N 294.439 4.639 30 10 CJEE C=C(C)CC[C@H](N)c1c(Cl)cccc1C(F)(F)F 712539474 VPJRHZIXVOFPCS-NSHDSACASA-N 277.717 4.715 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC(C)(C)CO1)NCC 717020414 AMUMUMUTCQSHNM-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(F)cc(C#N)c1 718565693 VBIKTPYVAPHLOA-ZDUSSCGKSA-N 262.372 4.858 30 10 CJEE 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2238509033 OAFLQEOBNQVLRA-CQSZACIVSA-N 298.496 4.518 30 10 CJEE C=CC(C)(C)COCC1(CNC(C)(C)C)CCCCC1 2239366806 CQUBYNRSAIVSEI-UHFFFAOYSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](CC)C[C@@H](NC)C1 2239450524 WPYWLSBIFKQTLS-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCN[C@H](C#Cc1ccc(Cl)cc1)CCCC1CC1 2239474665 XKTWCHRSBZGHHV-SFHVURJKSA-N 289.850 4.640 30 10 CJEE CCCCCCCCCCCCOC(=O)[C@@H](N)CCC 2239486261 DWFPUHSJZLCPNK-INIZCTEOSA-N 285.472 4.578 30 10 CJEE CCCCCCCCCCCOC[C@H](NC)[C@@H]1C[C@@H]1C 2239554678 NFXPCVDRUUQVDJ-KSZLIROESA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@H](C)NC[C@@H]1C 2239556153 FUXQZZOQDQKQBA-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@@H](C(=O)C#Cc2ccc(C)cc2)CC1 2239731773 KGJKNHSDQRABDZ-SJLPKXTDSA-N 268.400 4.522 30 10 CJEE CCCCCCCC[C@@]1(CNC2CCC2)C[C@@H](C)CO1 2240089542 CBUGPCKAHIUCHK-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@@H](C)O[C@@H]1C 2240191686 UTPZMJXMOCZCMK-BRSBDYLESA-N 283.500 4.919 30 10 CJEE C=CCC[C@H](C)Oc1ccc(CN[C@H](C)CC)cc1C 2240214253 OVGPEMPLGFHZTK-CVEARBPZSA-N 275.436 4.617 30 10 CJEE CCCCCCCC[C@](C)(NC1CCCCC1)C(=O)O 2240657402 LNGWECCMERXKGL-KRWDZBQOSA-N 283.456 4.503 30 10 CJEE CCCCCCCC[C@@H](NC)c1c(Cl)c(CC)nn1C 2240891516 BCCUSGWDNUUHOE-CQSZACIVSA-N 299.890 4.647 30 10 CJEE CCCCCCCCCCN1C[C@@H](O)CC12CCCC2 2241034565 LNPQDRJTVKWYEZ-KRWDZBQOSA-N 281.484 4.507 30 10 CJEE O=C(C#CC1CCCCC1)c1scc(Cl)c1Cl 2251445339 QRXSSNSMEZBHEO-UHFFFAOYSA-N 287.211 4.821 30 10 CJEE CCCCCCC[C@@H](O)C1(C)CC(C(F)(F)F)C1 2253678227 SRCRGXPRRBORBD-OTTFEQOBSA-N 266.347 4.686 30 10 CJEE N#Cc1ccc(Sc2cc(F)cc(F)c2)c(Cl)c1 2255269691 WHLFFNPVHNZQSJ-UHFFFAOYSA-N 281.714 4.641 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H]1CC(C)(C)CCC1(C)C 2261401974 KJOJJAKTBOPIQH-CABCVRRESA-N 251.458 4.926 30 10 CJEE C#CC[C@@H](C)C[C@](C)(O)CCCCCCCCC 2263661065 LMMHBDRIGKFYMP-IAGOWNOFSA-N 252.442 4.928 30 10 CJEE O=C[C@@]1(CC2CC3(CCCC3)C2)CCCC12CCC2 2265200258 HDDVSMAKSPUIRH-SFHVURJKSA-N 260.421 4.886 30 10 CJEE CC[C@@H](Nc1cc(C)c(C#N)c(C)c1)c1ccsc1 2265858744 QUXUHCZCOOHMNG-MRXNPFEDSA-N 270.401 4.800 30 10 CJEE N#Cc1ccc(NCc2csc(C3CC3)c2)cc1Cl 2267886037 IGGVSRREUGMKPZ-UHFFFAOYSA-N 288.803 4.763 30 10 CJEE C=C(C)CC[C@H](C)n1c(S)nc2cc(CF)ccc21 2268427268 ISDZDCGXRODUSF-NSHDSACASA-N 278.396 4.712 30 10 CJEE N#CC1(CCCCCCCCCCO)CCSCC1 2271230802 KJUZKKROUYXFHD-UHFFFAOYSA-N 283.481 4.527 30 10 CJEE C=CCCCCCCCSCCCC(C)(C)C(=N)N 2271518263 ZHTRJLOSEAZBGB-UHFFFAOYSA-N 284.513 4.989 30 10 CJEE C=C(C)CCCCC(=O)C1(c2ccccc2)CCC1 2271744685 HPZBUKACEAAJSP-UHFFFAOYSA-N 256.389 4.814 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1nc(C)sc1C 2271833327 OGTLVXAHQACRFB-OAHLLOKOSA-N 280.481 4.937 30 10 CJEE C=C(C)CCCCNCC1CCC(C(F)(F)F)CC1 2271841789 PFYBCYWUCNBIDD-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE C=C[C@@H](C)CCN[C@@H]1c2ccccc2CCC1(C)C 2273233264 QDMWBLHUFNLNAW-RHSMWYFYSA-N 257.421 4.502 30 10 CJEE C=C1CC([C@H](C[C@]23CCCC[C@H]2CC3)NCCC)C1 2273402552 CGOYWOCBEQZYGG-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE N#C[C@H](CSCC12CCC(CC1)C2)c1ccccc1 2274347080 GIUQDQXUMVCXJT-ARWYELJZSA-N 271.429 4.607 30 10 CJEE C=C(C)CCCC[C@](C)(CCCCC)OCC(=O)O 2275500497 HASDZHXRDUQUKB-INIZCTEOSA-N 270.413 4.563 30 10 CJEE C=C(F)C[C@@](C)(CCCCCCCC)OCCCN 2276744777 XNSYXPBIDSWSOM-MRXNPFEDSA-N 273.436 4.734 30 10 CJEE CCC(C=O)(CC)Cc1c(C)c(C)c(C)c(C)c1C 2277466924 JZNYQUKWDCTVFH-UHFFFAOYSA-N 260.421 4.777 30 10 CJEE SCCCCCCCN1CCCC[C@H]1C1CCCC1 2277507265 NUDYZKMUNFVBDT-KRWDZBQOSA-N 283.525 4.911 30 10 CJEE C=C(C)[C@](C)(CCCCCCCCC)OCC(=O)O 2278240490 ZQYVEPCLVBGTGF-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)CC(C)(C)O 2278244716 TVJSONSTHDCUSB-HZPDHXFCSA-N 271.489 4.655 30 10 CJEE C=CCC(C)(C)Cn1c(S)nc2c(C)c(F)c(C)cc21 2279140148 ULQDCSHIRNJBBH-UHFFFAOYSA-N 292.423 4.683 30 10 CJEE Cc1cccc(N)c1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2283472802 CUBLWDGTEPAFBK-CQSZACIVSA-N 271.404 4.533 30 10 CJEE CCCc1ccc(C[C@]2(C=O)CCCC23CCC3)cc1 2283544287 UHXWACKPXXFVHW-IBGZPJMESA-N 270.416 4.721 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H](OC)C2CCCC2)C1 2283991389 AKXKUDVGZPMIDI-DZUCGIPZSA-N 295.492 4.643 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]1(C)CCCCC1(F)F 2284114292 XCNVUTCPYWNZMW-MRXNPFEDSA-N 282.374 4.767 30 10 CJEE C[C@@H]1CC[C@@](C)([C@@H](N)CC=CC#CC(C)(C)C)C1(C)C 2284157525 GEZAPGAFLYLLLT-GJYPPUQNSA-N 275.480 4.772 30 10 CJEE CN(CC=CC#CC(C)(C)C)C[C@@H]1CCCC(C)(C)C1 2284185395 PQIDPHHBSIGUMZ-QGZVFWFLSA-N 275.480 4.740 30 10 CJEE CCCCCCCC[C@@H](NC)c1nccc2occc12 2284286427 UBEXEWJFNBCEKY-OAHLLOKOSA-N 274.408 4.839 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1C[C@]1(C)COC 2284728496 OHDIXAUALZGKTC-FGTMMUONSA-N 282.468 4.717 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1COC2(CCC2)C1 2284826211 LXVXCGJDIRQWSX-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE C=CCCCCCCCSCc1cc(C(=O)O)ccn1 2287078675 PYWORQCWCCOFOU-UHFFFAOYSA-N 293.432 4.540 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CC12CCCC2 2289686595 XJTJMVGNZYVKSL-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@]1(C)CC=C(C)CC1 2289687012 JXXZYPKESPOPBB-RBUKOAKNSA-N 273.464 4.685 30 10 CJEE C=C(C)CCCC[C@](C)(CCC(C)(C)C)OCC(=O)O 2291755090 PQQAWLWXNXNZTN-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCCC[C@@](C)(CC)OCCC(=O)O 2292458337 MUBNWNRQBFLKJF-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CC[C@@H](OCCC(=O)O)c1csc(C2CC2)c1 2292514230 YTLUODCDXGXXQW-CQSZACIVSA-N 294.416 4.514 30 10 CJEE C=C1CCC(C[C@@](CC)(CCCC)OCC(=O)O)CC1 2292721996 LWKQRHUGGNWJBE-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CC#CCCC[C@@](C)(CCCCCCC)OCCCN 2292862349 KNVVEYFWKGWXTR-SFHVURJKSA-N 281.484 4.665 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1[C@H]2CCC[C@H]21)OCCCN 2293013085 JHDHBRYLLNZSNB-WNRNVDISSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](C=C1CCCC1)OCCN 2293161092 AJPPRDXCPDVZFA-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCCC12CCCC2 2293267857 CYUBWBANKJEWSM-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)c1cscn1 2293374029 SCKVLVDTEFXXCT-MRXNPFEDSA-N 298.496 4.690 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C(C)(C)C(F)F 2293649900 UIELGAGDIQXRBB-MRXNPFEDSA-N 293.442 4.762 30 10 CJEE CCCCCCC[C@]1(OCCCN)C[C@@H](C)C[C@@H](C)C1 2293654410 GWVXOSYUXQWLMJ-BCDXTJNWSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@@H]1CC=CCC1)OCCN 2294063907 WXZWRNAEUDODME-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@@H](CO)CC1 2295686553 KGZUWEBOBVNETC-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@](C)(C[C@H]1C[C@H]1F)OCCN 2295688777 JGUNMNPMHQLEEG-BRWVUGGUSA-N 287.463 4.609 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COC[C@@H]1C1CC1 2295692031 RPVXPLVKDWFJCX-CGTJXYLNSA-N 281.484 4.530 30 10 CJEE CCCCCCSC[C@@H]1CCC[C@](C#N)(NCCC)C1 2295710402 GUIMMBSEIGDSAG-SJORKVTESA-N 296.524 4.752 30 10 CJEE O=C1C(=Cc2ccccc2Cl)Sc2ccccc21 2296736679 BVKHSUQXMZDHBN-UHFFFAOYSA-N 272.756 4.670 30 10 CJEE CC(C)n1cc(C(=O)C=Cc2csc3ccccc23)cn1 2297411270 ZVBAMKIKENAKDB-UHFFFAOYSA-N 296.395 4.575 30 10 CJEE C=C(Br)CCOCC(C)(C)Cc1ccccc1 2301110232 CZFCEEWUMGNEFF-UHFFFAOYSA-N 297.236 4.571 30 10 CJEE C=CCCCCCCCC[C@](C)(N)CCSC 2301804768 DFZQWNQXCCYKGM-HNNXBMFYSA-N 257.487 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)cc1C 2304026549 AIDLMXSNOIBVQE-LSDHHAIUSA-N 251.801 4.641 30 10 CJEE CCC(C)(CC)COC[C@](C)(CS)C(C)(C)C 2307145050 MIAFTMATSOTWMU-OAHLLOKOSA-N 260.487 4.812 30 10 CJEE CCC1CCC(OC[C@@H](CS)CC(C)C)CC1 2308055707 GJEIAGITCAVSKQ-SLTAFYQDSA-N 258.471 4.564 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C1CC1 2312118131 UMAHQYOGDHLWOU-GVDBMIGSSA-N 250.426 4.700 30 10 CJEE C=CCC(CC=C)S[C@H](c1ccc(C)s1)[C@H](C)N 2313529599 RATRBLOROAMQER-WFASDCNBSA-N 281.490 4.699 30 10 CJEE CC(C)CC(CC(C)C)OCCCC(C)(C)C#N 2313619079 YJTDZLSXPZVBSP-UHFFFAOYSA-N 253.430 4.794 30 10 CJEE C=CCC(CC=C)S[C@@H](CN)c1ccccc1Cl 2313645238 OFPZOUAMLLZLCY-HNNXBMFYSA-N 281.852 4.594 30 10 CJEE C=CCC(CC=C)N(CCC(C)C)CCC(C)C 2316721038 GMVJCUROTCXIME-UHFFFAOYSA-N 251.458 4.901 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2318353737 ZFJYNKOXIMEUOJ-NOZJJQNGSA-N 288.193 4.749 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]1C1CC1)NC 2319551547 SXNWVBVZKJWGMO-GVDBMIGSSA-N 251.458 4.761 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1csc(CC)c1 2321101163 HRAFEVDBFPNZIP-HOTGVXAUSA-N 265.466 4.954 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CC(C2CCC2)C1 2321216701 IWVNKUBFDMZKOW-OKEQZYBDSA-N 250.426 4.556 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1C[C@@H](F)C1 2327225864 IFKNDNOCMLJAKZ-XHSDSOJGSA-N 256.405 4.792 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(F)cc1SC 2328514335 VQNGCAQXWALHMH-UHFFFAOYSA-N 266.381 4.867 30 10 CJEE CCC[C@@H](C)CCNc1ccc(C#N)c(SC)c1 2328528137 NVWYFYHPXOBJBJ-GFCCVEGCSA-N 262.422 4.518 30 10 CJEE CCCCCCCCNC[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329728231 JEKVESSRZASNHG-ZNMIVQPWSA-N 273.411 4.618 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2C[C@H]2C2CCCCC2)CCC1 2332699415 CZLHWTLOJLHQFI-GVDBMIGSSA-N 261.453 4.537 30 10 CJEE C=CCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCC1 2333327044 JYJNJXPWGLQFHO-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)cc1C 2337108720 IONNXUIDCAOBBV-NUJGCVRESA-N 257.421 4.699 30 10 CJEE C=CCCCCCCC[C@@](N)(CC)[C@@H]1CCCCO1 2337300642 DZVPLSHZECBKQA-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CCCCCCCC[C@@H](N)c1ccncc1C(C)C 2338607608 WIBNUQWYZZOJNZ-QGZVFWFLSA-N 262.441 4.955 30 10 CJEE C=CCC(CC=C)[C@H]1CC(C)(C)CC[C@H]1CNCC 2338725522 RQNONNVESUPGBE-DLBZAZTESA-N 263.469 4.807 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F 2338731536 BEQYMTYKJNLHBA-QWHCGFSZSA-N 274.326 4.693 30 10 CJEE C=CC[C@H](CNCCC)C[C@H]1C[C@H]2CCC[C@H]1CC2 2338994664 RHDMGEGYCCFDPO-XLAORIBOSA-N 263.469 4.785 30 10 CJEE C[C@@H](CCS)CCOCc1ccc(F)cc1C1CC1 2339222072 VAEZNAQYXYTLDE-GFCCVEGCSA-N 282.424 4.566 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc2cscc2s1 2339580454 FITMNOPDUQPVNT-STQMWFEESA-N 289.469 4.663 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cc(C)c2sccc2c1 2341885000 MXZUVXOOCSFDPJ-JKSUJKDBSA-N 271.429 4.827 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@@H]1C1CCCCCC1)NCC 2341927250 UQMZWGSMKBCCKU-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC2CCC1CC2)NCCC 2344339799 MFYZVMCHABFIAL-FHZKDXSVSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CCCCCOC(C)(C)C)NC 2344373445 ALJLEBUOCUUOCW-OAHLLOKOSA-N 269.473 4.552 30 10 CJEE CC(C)O[C@@H]1CCC[C@H]1[C@@]1(C#N)CCCC(C)(C)C1 2344875811 ZFIOVUFMOVNHCY-INMHGKMJSA-N 263.425 4.690 30 10 CJEE Cc1scc(CN(C)C[C@@](C)(CS)C(C)(C)C)c1C 2352091463 VMFKKBLOOSDBQR-INIZCTEOSA-N 299.549 4.779 30 10 CJEE C[C@@H](N(C)C[C@](C)(CS)C(C)(C)C)C1(C)CCCC1 2352303230 FRIWZATZMHYOOK-RHSMWYFYSA-N 285.541 4.869 30 10 CJEE CSCCCCCCNc1ccc(C#N)c(SC)c1 2353830985 GPTNAJZHFKCBGA-UHFFFAOYSA-N 294.489 4.615 30 10 CJEE CCCCCCC[C@@](C)(C(=O)O)N(C)[C@H](C)C(C)(C)C 2353869786 VWJDEMUSMRBGSH-PBHICJAKSA-N 285.472 4.557 30 10 CJEE O=C[C@@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354837929 SWIXBIULSULTAY-FQLMCAECSA-N 282.374 4.597 30 10 CJEE C=CCCCCCCCCN(C)[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2358321481 UQNLZRZVXNUYPN-VPAKFMSCSA-N 275.480 4.879 30 10 CJEE C=CC1(C[C@H](NC)c2cc(C)c(OC)c(Cl)c2)CCC1 2360219877 OEYBJECUWNUNIG-HNNXBMFYSA-N 293.838 4.664 30 10 CJEE C=CCC[C@@H](C)[C@](C)(CCCC(C)C)OCCC(=O)O 2360236350 NSKVRZNJJRVNPB-WBVHZDCISA-N 284.440 4.665 30 10 CJEE CC(C)(C)c1cccc(OCc2ccc(C#N)cc2F)c1 37415329 DUQQOAAGEBIKIF-UHFFFAOYSA-N 283.346 4.574 30 10 CJEE N#C[C@@H](c1c(F)cccc1Cl)C1CCCCC1 41321711 VZTPYOYOMTXHGV-LLVKDONJSA-N 251.732 4.667 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(OCCCC#N)c1 68625340 VNVBWPHTVYUGRL-RVKKMQEKSA-N 286.419 4.606 30 10 CJEE C=CCCCNc1ccc(Oc2ccccc2)cc1 71275327 MJVSJJNFGGRXOV-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE CC(C)n1c(-c2cccc(Cl)c2)nc2cc(C#N)ccc21 86636540 SVIHJTCJLJZQSR-UHFFFAOYSA-N 295.773 4.809 30 10 CJEE C#Cc1cccc(N[C@@H]2CCC[C@H](C(C)C)CC2)c1 86921943 DEPDRYOLSSWIOW-DLBZAZTESA-N 255.405 4.685 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(C#N)NC1CCCCCC1 110029385 TTYRHNOUJMBSKX-AEFFLSMTSA-N 276.468 4.797 30 10 CJEE N#Cc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1 111037169 NSZZBEAGUYAOQY-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCC(=O)N(C)[C@@H](C)c1ccccc1O 115858560 MRPVBCBKRRUXRC-HNNXBMFYSA-N 291.435 4.662 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cncc(F)c1 124310125 BTMCQUPMNDOIJI-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](NCC)C1 133481857 ZVLUHIMIFFBRBP-LJQANCHMSA-N 296.543 4.981 30 10 CJEE CCSc1cccc(N(C)[C@H](C)C(C)(C)C)c1C#N 136649598 QHUZTOCAWSKPML-GFCCVEGCSA-N 276.449 4.541 30 10 CJEE CCCCCCCCCC1(CNCCOC)C[C@@H]2C[C@H]2C1 156878982 NVIVNFBGAYIKDA-ROUUACIJSA-N 295.511 4.779 30 10 CJEE CCCCCCCCCC[C@]1(O)CCN2CCC[C@@H]2C1 156902665 WLOWVTDHTOIXCG-MSOLQXFVSA-N 281.484 4.507 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@H](CN)C1 167770323 CFEIUACOUXEUCQ-RTBURBONSA-N 296.543 4.824 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)o1 210601534 ZQBPINLHHFEZII-ALCCZGGFSA-N 281.138 4.791 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1ccc(C(F)(F)F)cc1 213029190 ZDLFPCHHGJWXGU-OAHLLOKOSA-N 296.336 4.535 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 214507266 COKNWDNLGQUTIQ-ZBFHGGJFSA-N 276.811 4.838 30 10 CJEE CC(=O)/C=C\c1ccc(-c2ccc(Cl)cc2)s1 217399388 AQLPIKIMQWLANL-UQCOIBPSSA-N 262.761 4.671 30 10 CJEE CCCCCCCCOc1cc(C(=O)O)cc(C(C)C)n1 228069109 ABIAYOKLGCPBDW-UHFFFAOYSA-N 293.407 4.643 30 10 CJEE CCCCCCC[C@H]1C[C@H](NC)c2cc(C)ccc2O1 229266966 XTUBLCMCSREQJX-RDJZCZTQSA-N 275.436 4.767 30 10 CJEE N#Cc1ccc(CNc2cc(F)cc(Cl)c2)c(Cl)c1 230009139 AJHXCZNLPALXMD-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1ccccc1C 232973029 BEVMZTHHVKDNDT-KRWDZBQOSA-N 277.452 4.909 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnc(C)s1 233124879 NJROCCLVYRIITJ-AWEZNQCLSA-N 266.454 4.629 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 235334883 AUPRSRNBXWAJGQ-ONERCXAPSA-N 298.213 4.747 30 10 CJEE C=CCCCCC[C@@H](N)c1scc(C)c1Cl 235796136 GSHMDDSKKOGQBS-LLVKDONJSA-N 257.830 4.846 30 10 CJEE N#Cc1ccc(NCC2CCCCC2)c2ccccc12 236155973 HHOPMZXSNJKOEN-UHFFFAOYSA-N 264.372 4.704 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@@H]2[C@@H](C)C#N)cc1 251016610 BDZNNHQRMNYMRH-XKQJLSEDSA-N 257.377 4.519 30 10 CJEE C=C([C@@H](NC)C1CCC(C(C)(C)C)CC1)C(F)(F)F 311972642 LEIJPNICFAILKX-WXRRBKDZSA-N 277.374 4.545 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccc(C(F)(F)F)cc1 317129253 DGSWFXZZYLYDKQ-WFASDCNBSA-N 284.321 4.643 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1ccccc1C(F)(F)F 317441547 RGQBYEWHDDQHCO-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CCCCCCCc1nc2ccc(N)cc2n1C(C)C 379668757 BLKVREFKZFWCCU-UHFFFAOYSA-N 273.424 4.712 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@H](CC)CC1)C(F)(F)F 380945983 COXBUHSSZMTNTK-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=CCCC[C@H](C)Nc1cc(C)c(N)cc1C(F)(F)F 398072950 NEVSXKFLGDDWJE-NSHDSACASA-N 286.341 4.753 30 10 CJEE C=CCCC[C@H](C)n1c(=S)[nH]c2cc(F)c(OC)cc21 398283748 RJWBVCSZLGRVAT-JTQLQIEISA-N 294.395 4.764 30 10 CJEE CCCCCCCCC[C@@H](N)C1CCSCC1 401695058 JCUZDXWKTXEDEI-OAHLLOKOSA-N 257.487 4.598 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](CC)CC(F)(F)F 402701346 IGCCHVLKUXUJKX-QWHCGFSZSA-N 282.394 4.548 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@@H]1N 403477401 TURDRVMZJSVYJL-DLBZAZTESA-N 267.457 4.580 30 10 CJEE C=C(C)C[C@H](C)c1nc(Cc2ccc(F)cc2Cl)no1 574603384 IIVCLSBEUWKABL-JTQLQIEISA-N 294.757 4.523 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1ncc(-c2ccccc2)o1 662084251 PSSXBGLXVJFCJO-OIISXLGYSA-N 294.398 4.586 30 10 CJEE Cc1cc(N[C@H]2CCCCC[C@@H]2C#N)cc(C)c1Cl 690285233 AWOVQFXSRYFSFX-HIFRSBDPSA-N 276.811 4.841 30 10 CJEE COC1(CC2(C=O)CCC(C(C)C)CC2)CCCCC1 692808734 SLVGXERZNFZROV-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE CCCCCCC[C@H](C)NC[C@@]12CCCC[C@H]1C2 693558425 MVFZNTAESZSLDX-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE Cc1ccc(C(C)C)c(O[C@H](C)CC(C)(C)C#N)c1 695869764 FQTRKMOZWNEDKH-CQSZACIVSA-N 259.393 4.826 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C#N)c(F)c2F)CC1 697577824 UPLNVSBODDHJIP-LBPRGKRZSA-N 278.346 4.607 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cccc(Cl)c1 704021444 GOKNLDSWGMLPTL-CYBMUJFWSA-N 265.828 4.983 30 10 CJEE N#C[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 708028827 LSMXZIDZKPJHGN-LVGORTOPSA-N 279.305 4.749 30 10 CJEE C=CCCCCC[C@@H](CCC(C)(F)F)NCCC 713913737 SDIJULYCEIKRFS-AWEZNQCLSA-N 261.400 4.927 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CCC[C@H](C)C1 715786498 GCFUESUNHYHXKI-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCC[C@@H](C)C1 720398924 HMUCJJGEXIVVPC-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC[C@@H]3CCCC[C@@H]3C2)cc1 723606905 HCYOUHAWDXATLP-LZLYRXPVSA-N 268.404 4.660 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H](C2CCCCC2)C2CC2)N1 723841433 XDJJLPAEPRGIBO-DOTOQJQBSA-N 294.508 4.597 30 10 CJEE C=C1CCC(CN[C@@H](CCC)c2ccccc2)CC1 724443750 VVSOLFUPAIBRNJ-SFHVURJKSA-N 257.421 4.864 30 10 CJEE C=C1CCC(CN[C@H](CC)c2ccccc2F)CC1 724446099 BJDFTAVOBILHQC-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cc(F)ccc2C)CC1 724568364 RXUIZIWKAAGZRH-GOSISDBHSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](NN)C2CCC(CCC)CC2)CC1 724581593 CNMMSRYJJVIKIC-VJFUWPCTSA-N 278.484 4.561 30 10 CJEE CCc1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1 821226185 CZCZZMGYXLTBST-VXPUYCOJSA-N 279.383 4.580 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CC)c1cccc(Cl)c1 1124911806 DJWMAIKGKQKVSQ-DOMZBBRYSA-N 279.811 4.510 30 10 CJEE CCCCCCCCCCNC(=O)c1c(F)cccc1F 1127028716 SHVAGGWFXCZLMY-UHFFFAOYSA-N 297.389 4.835 30 10 CJEE C=C[C@H](OC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 1130934916 ZITFTUYJVLNONV-IBGZPJMESA-N 292.378 4.577 30 10 CJEE C=CCC[C@H](C(=O)N1CCC(C)(CC)CC1)c1ccccc1 1142807454 WSLQOCZPBYDXPJ-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=C(C)CN(CCC)[C@H](CCC)Cc1ccccc1 1167306578 HKMIZURYXJTJLW-GOSISDBHSA-N 259.437 4.686 30 10 CJEE C=C(C)CCN(CC1CCC1)[C@@H](C)c1ccccc1 1167454461 WTQLOEKILBEKTI-INIZCTEOSA-N 257.421 4.816 30 10 CJEE C=CC[C@H]1CCN1[C@@H](C)c1ccc2ccccc2c1 1176813461 BGRHWIZAIGIMSM-KSSFIOAISA-N 251.373 4.551 30 10 CJEE C=CCC[C@@H](CC)NCCCc1c[nH]c2ccc(F)cc12 1181739307 IISVMTNOCSASFH-MRXNPFEDSA-N 288.410 4.574 30 10 CJEE C=CCN(Cc1cc2c(Cl)nccc2o1)c1ccccc1 1205443225 YUTCHCKOZHFFIP-UHFFFAOYSA-N 298.773 4.674 30 10 CJEE C=C(C)CCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 1264544714 RXWHGLYKPSWNFE-IBGZPJMESA-N 285.431 4.781 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@H](C)C(CC)CC)c1 1264935148 HBPRMBLUCBQDEF-AWEZNQCLSA-N 289.419 4.652 30 10 CJEE C=C[C@H](C(=O)N[C@H]1CCC[C@@H](C(C)C)CC1)c1ccccc1 1296727429 DAQIQCBISBCASG-NEWSRXKRSA-N 299.458 4.677 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC1CCC(F)(F)CC1 1307926613 XFRGZKGWROQQOW-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE C#CCCCCCCNc1ccc(C(F)F)cc1 1308958004 BWEYTMZZMHWKDW-UHFFFAOYSA-N 251.320 4.620 30 10 CJEE C=CC1(CC(=O)N[C@H](C)c2ccc(C)cc2)CCCCC1 1353391260 NBZSVWDEESOZJI-MRXNPFEDSA-N 285.431 4.699 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(OCCCC)cc1C 1357182668 JIHIVEZNCVPTIU-HNNXBMFYSA-N 289.419 4.715 30 10 CJEE C=C1CCC(C(=O)Nc2cc(Cl)ccc2SC)CC1 1357684785 PUVKGIXWSHFQTL-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C[C@@H](OC(=O)CC1CCCCCC1)c1ccc(C#N)cc1 1361168117 BOQHUNVRTQLEGB-CQSZACIVSA-N 285.387 4.523 30 10 CJEE CC#CCCCC(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 1435000292 ULYLHUCOXCJMDH-HXUWFJFHSA-N 299.458 4.646 30 10 CJEE C=CCCC(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 1435107486 AHVVZEUBBHNWLX-VPWXQRGCSA-N 299.458 4.945 30 10 CJEE C=C1CCC(C(=O)N[C@H](C)c2csc3ccccc23)CC1 1439963950 KUXJKXICTGKYMO-CYBMUJFWSA-N 299.439 4.825 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 1474255383 JLZSKNHVBPLPBQ-XGAGZNTDSA-N 295.470 4.740 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cnn(CCCC)c2C(C)C)C1 1474489526 YGHJKUWFRQSZLV-HOTGVXAUSA-N 289.467 4.963 30 10 CJEE C=CCCc1ccccc1NC(=O)/C=C\c1cccc(F)c1 1518873421 KLOGCSPDJJDQIQ-SEYXRHQNSA-N 295.357 4.596 30 10 CJEE C=C[C@@H](CC(=O)NCC(C)(C)C1CCCC1)c1ccccc1 1526041522 KZAOAXRAGPYOGG-INIZCTEOSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CC(=O)N(CCCC)[C@@H]1CCC[C@H](C)C1 1544646609 HGCJYAFFKSFJGC-JKSUJKDBSA-N 279.468 4.796 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2CC1CCC(C(F)(F)F)CC1 1560017736 SHWSTOUXYXYHOR-ZMYVRHLSSA-N 287.369 4.538 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)ccc1O[C@@H](C)COC 1560760275 BMKZYRKQLZPBDR-STQMWFEESA-N 297.826 4.520 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ccc2oc(CO)cc2c1 1560913276 TUNIBVQUQIMGJC-CQSZACIVSA-N 287.403 4.862 30 10 CJEE C#C[C@H]1CC[C@H](NCC[C@@H](C)CCC=C(C)C)CC1 1560994109 WKSYUSWDNJMRDA-BZSNNMDCSA-N 261.453 4.541 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CCCC1(C)C 1586320212 OKRRLPGBFZQPES-HZMVEIRTSA-N 291.479 4.652 30 10 CJEE CCc1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614730645 DSLAOWYBDATTQB-UHFFFAOYSA-N 275.178 4.956 30 10 CJEE C=C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C)CC1)c1ccccc1 1617432869 LDBCKFVRMVEPPO-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE C=CCCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 1621304051 SAIYYFDHOWFBRK-CVEARBPZSA-N 263.812 4.532 30 10 CJEE C=C(CC(C)C)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 1630723326 SMQMEFAQDKVGEP-MRXNPFEDSA-N 299.458 4.560 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1c1ccccn1 1641947450 WRAPRZARRIJTEP-GOSISDBHSA-N 274.452 4.969 30 10 CJEE C=CCC1(NCc2cccc3ncccc23)CCCCC1 1644164027 HLIBBXOGAAZGBM-UHFFFAOYSA-N 280.415 4.603 30 10 CJEE C=CCCC1(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)CCCC1 1651322887 YFBQKTJQXZJCMI-SJORKVTESA-N 293.495 4.696 30 10 CJEE C=CCCCCCN(CC(C)C)c1ccc(C#N)cc1 1652787298 CGKJLEZFMDMRSP-UHFFFAOYSA-N 270.420 4.767 30 10 CJEE C=CCCCN(Cc1ccc(CC)cc1)CC(C)C 1653987265 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CCCC[C@H](CC)[C@@H](C#C[C@H]1CC1(C)C)NCCC 2339567869 MZVMKKFFYBXGRL-YESZJQIVSA-N 263.469 4.621 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2342348305 MBJRWNAPPIFRDG-WDEREUQCSA-N 286.284 4.750 30 10 CJEE C=CC1(C[C@@H](NCC)[C@@H]2CC[C@H]2C(C)(C)C)CCC1 2343236070 RQPZNRIFTNZONA-BZUAXINKSA-N 263.469 4.783 30 10 CJEE C#CCCCCCC(=O)c1cccc(C2CCC2)c1 2343780399 DKWKDFREQKQSGR-UHFFFAOYSA-N 254.373 4.721 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2344336113 GPRKEUGFIYWCGZ-GFCCVEGCSA-N 291.744 4.961 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc2cccc(F)c2o1 2344338180 XGXFSBBSMSGFLM-HOTGVXAUSA-N 261.340 4.564 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccsc1OC 2344377006 RQMOIMCNARFHBR-ZBFHGGJFSA-N 281.465 4.790 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(OCCC)cc1 2344398782 YMQROFUBENWRGX-QGZVFWFLSA-N 260.377 4.651 30 10 CJEE C=C[C@](C)(CNC)CC1CCC(CC(F)(F)F)CC1 2353134208 UEZCYBUNFBYOEQ-RUXDESIVSA-N 277.374 4.547 30 10 CJEE C=CC[C@H](C)C(=O)CC1CCC(CC(F)(F)F)CC1 2353164700 XLDODUITJCQUHU-HIFPTAJRSA-N 276.342 4.917 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@](O)(C1(C#N)CCCCCC1)C2 2354155422 KOXKRTKPPSLAPS-SOLBZPMBSA-N 275.436 4.572 30 10 CJEE C#CCCCC[C@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2355382759 GAYHBXYIHNNRDN-VJANTYMQSA-N 275.480 4.765 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2OC[C@@H]3CCCC[C@@H]32)C1 2358519952 QJVFHOUHBULHFO-DISONHOPSA-N 275.436 4.692 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360219951 PCSIDPLLLMUDCL-CZUORRHYSA-N 293.838 4.664 30 10 CJEE C=C[C@]1(CCCC)CCCCN1Cc1ccccc1 5713593 NYWRCVVQMMMDLI-SFHVURJKSA-N 257.421 4.788 30 10 CJEE C#Cc1cccc(NC2CCC(C(C)(C)C)CC2)c1 21018031 LUZRNMCTMIZRLA-UHFFFAOYSA-N 255.405 4.685 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccc2ccccc2c1 36954227 AQEBDUPCFSDUDZ-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CC(C)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1 37302697 DOIPUEYNIIUQMP-SUMWQHHRSA-N 284.428 4.668 30 10 CJEE N#Cc1c(Cl)cccc1Sc1ccccc1F 48936013 WMMZEDWWYGLRIQ-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE N#C[C@@H](CCOc1ccccc1F)c1ccc(Cl)cc1 57685163 XXGKJHWSROGBQT-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE Cc1ccc(OCC[C@@H](C#N)c2cccc(F)c2)c(C)c1 57688820 ZYBMJIKGOUJCAY-INIZCTEOSA-N 283.346 4.519 30 10 CJEE CCCCCCCNCCCn1ccc2ccccc21 59090723 LDUQZFBVAMGQGS-UHFFFAOYSA-N 272.436 4.591 30 10 CJEE CCCCCCCC(=O)Nc1ccccc1[C@@H](C)NCC 59295589 LIWQMMVDVCJYON-OAHLLOKOSA-N 290.451 4.656 30 10 CJEE N#Cc1ccc(Oc2ccc(F)cc2Cl)cc1Cl 61855494 FDDOBWUQCLGVAP-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE Cc1ccc(Cc2nc(-c3cccc(C#N)c3)cs2)cc1 62938247 OEOXXBPFNDFHQS-UHFFFAOYSA-N 290.391 4.581 30 10 CJEE C=CCC[C@H](NCC)C(CC)(CC)c1ccccc1 71277486 BOIOVCXZFAQJJY-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE CC(C)c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)cc1C#N 77080024 FCWSTXCABJNPHL-UHFFFAOYSA-N 290.706 4.503 30 10 CJEE O=C(/C=C/c1ccco1)c1ccc(Cl)c2ccccc12 83193055 NOWSFPCEKVTZCU-JXMROGBWSA-N 282.726 4.982 30 10 CJEE C[C@H](CS)CSc1cc(Cl)ccc1Cl 87096246 GFOVRJSJSONJED-SSDOTTSWSA-N 267.246 4.651 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 88301532 ARCMIMLELMNDID-QWRGUYRKSA-N 284.325 4.814 30 10 CJEE CCC[C@@H](CS)COc1ccc(C(C)C)cc1 94582578 DFMSGZFEQJQTFN-CYBMUJFWSA-N 252.423 4.535 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CSc2ccccc21 97220175 GAHGWRQPPKWEFV-JKSUJKDBSA-N 275.461 4.600 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OC)c(C(C)C)c1 107518411 ZGNMXOMAWAVVPS-HUUCEWRRSA-N 258.405 4.972 30 10 CJEE CCCCCCC[C@H](Cc1cccc(OC)c1)NCCC 109728666 DUFQJGMYJUBRFG-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@]1(C#N)Nc1cccc(F)c1 110028731 JEKIQPAICFFADI-IAOVAPTHSA-N 274.383 4.592 30 10 CJEE CCCC[C@@H](CC)COc1cc(F)ccc1/C(C)=N/O 110323414 LPIZNKPSMAUCFC-RNEAKCBISA-N 281.371 4.619 30 10 CJEE Cc1ccc(Sc2cc(Cl)ccc2C#N)cc1C 110354102 MZPBRAJSHMNHMV-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NCC1(CC)CC 115241838 PSPDVYBSHJRCOH-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCCCC(=O)c1ccn(C)n1 115688943 JEUJCXMFTLDECT-UHFFFAOYSA-N 278.440 4.914 30 10 CJEE CCCCCCCCC(=O)N(CCC)c1cccc(N)c1 115854724 KVVYBIWHVNKBAW-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE CCCCCCCC[C@@H](NN)c1cc(C)ccc1C 122144972 PMLKWIXJVLBZJO-QGZVFWFLSA-N 262.441 4.558 30 10 CJEE CCCCCCCC(=O)Cc1cc(F)ccc1Cl 126493983 WIPPKRQWQWLOCO-UHFFFAOYSA-N 270.775 4.951 30 10 CJEE CCCCCCC[C@H](NCC)c1ncc(C)cc1C 132859150 QPUHPXKLRCHTSS-INIZCTEOSA-N 262.441 4.710 30 10 CJEE CCCCCCCCC(=O)c1snnc1C(C)(C)C 135445434 WGWHWQSSKAEZFP-UHFFFAOYSA-N 282.453 4.769 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1ccnnc1 143411034 XTVNTURADGJKPE-QGZVFWFLSA-N 277.456 4.658 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(F)ccc1C(F)(F)F 164123747 NMNPFSVMURPLPY-CQSZACIVSA-N 289.316 4.851 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C 185655198 IJAIPJNBKDOWEP-MAUKXSAKSA-N 285.431 4.569 30 10 CJEE CCCCCCCCCCC(=O)Nc1ccccc1N 215021466 UCQIPFZSVUZZJV-UHFFFAOYSA-N 276.424 4.738 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CC[C@H](N)C1 226603192 HFMRJEYOOWBUKN-SJORKVTESA-N 281.484 4.994 30 10 CJEE CC1(C)CC(=O)C=C(c2ccccc2C2CCC2)C1 229634617 LNYHPPRBSYHOSS-UHFFFAOYSA-N 254.373 4.727 30 10 CJEE C=C(C)C[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC 229739268 PRSHQHSXIANOEZ-GSBYPIHSSA-N 275.480 4.927 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 230988891 NMXYLYIONFYVHC-WFASDCNBSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)cc1C 232965375 PUPOTJKKNSEQLF-INIZCTEOSA-N 282.859 4.903 30 10 CJEE C=CCCCCCOc1ccc([C@@H](C)NC)cc1Cl 234469292 GVHSCWHLNMVELL-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 244044687 SYPHRLLMLOFMBQ-UHFFFAOYSA-N 293.370 4.545 30 10 CJEE CCCCCCCCCN(CC)[C@H]1CCCC[C@H]1CN 250819898 KXAOOFVRQKFAJC-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NCC[C@H]1C 250843423 YZRNICWYXUDDIF-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCC1CCC(Oc2ccc(CCC(C)=NO)cc2)CC1 252472467 OWDPQRFXQVIRDB-UHFFFAOYSA-N 289.419 4.817 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCCC(F)(F)C1 302470108 ZNPGSKUNVWJAQY-KBPBESRZSA-N 259.384 4.536 30 10 CJEE Cc1cc(C#N)c(S)nc1-c1ccc(Cl)c(Cl)c1 307887990 CVXUUQRIAPLALQ-UHFFFAOYSA-N 295.194 4.524 30 10 CJEE CSc1ccc([C@@H](C)Nc2cc(C)cc(C#N)c2)cc1 308120880 ICFCHROKWWKBAM-CYBMUJFWSA-N 282.412 4.762 30 10 CJEE CCCCCCCCCOc1cccc2c1[C@H](O)CC2 312848526 QBAJROFBGCOCNS-MRXNPFEDSA-N 276.420 4.796 30 10 CJEE CC1(C)CCC([C@H](O)C2(C#N)CCCCCCC2)CC1 380482036 AJKCQLIQKRSOHL-INIZCTEOSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCCn1cc([C@@H](C)NC)nc1C 383241773 FUMGEIDDSLIDAH-OAHLLOKOSA-N 279.472 4.613 30 10 CJEE CCCCCCCC[C@H](CCN1CCCC1)NCCC 395865207 CSXOCEUKHMBUJZ-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CC(C)[C@@H](C#N)CNc1cc(Cl)c(Cl)c(Cl)c1 404237073 BGSSSOHVYXASAP-QMMMGPOBSA-N 291.609 4.854 30 10 CJEE C#CCCCCCNc1ccc(C)c(C(F)(F)F)c1 686682714 HHCRMFCGSIMRDT-UHFFFAOYSA-N 269.310 4.619 30 10 CJEE C#CCCCCC[C@H]1CCCCC[C@@H]1CNC(C)C 686691729 QPCTXVRVDRJQQY-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC(C)(C)C1(C)C 690302908 VLGWMGWWCZRQMT-MRXNPFEDSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@@H]1CCCN1 695432510 FQUWUFOQQZPTRI-ROUUACIJSA-N 283.500 4.800 30 10 CJEE Cc1cc(NCc2c(Cl)cccc2Cl)ccc1C#N 696873576 NHBGMMRAUUXOTI-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CC12CC2 698153757 QDGVGQRWYMNXQM-CVEARBPZSA-N 251.458 4.905 30 10 CJEE C=C(CN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 705968916 DEHWUZTZLHXDKC-ATZDWAIDSA-N 271.448 4.750 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCSC1)NCC 708752283 JNNGMOGGJWZMDI-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE C[C@@H]1C[C@H](N(C)c2ccc(Cl)cc2C#N)CC(C)(C)C1 709181209 CBDFLVWNLOTMCE-DOMZBBRYSA-N 290.838 4.863 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 710486798 KWHUSIIFOPCXES-QDMKHBRRSA-N 273.411 4.618 30 10 CJEE CC1(C)C[C@]1(C)C/N=C1/NC2(CCCCCCC2)CS1 713227423 ZRUASJGXIFAMID-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](C)CNCC 714582668 HSKJNKMMSFOLRZ-GOSISDBHSA-N 284.532 4.837 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2csc(C)n2)CC1 724595323 QKBOOKOUFWKIOE-HNNXBMFYSA-N 278.465 4.629 30 10 CJEE C=C1CCC(C[C@H](NC)C2CCC(F)(F)CC2)CC1 724618716 STNUNQVYSAXJAM-HNNXBMFYSA-N 271.395 4.536 30 10 CJEE CCCCCCCC(=O)CC1C[C@@H](C)O[C@H](C)C1 724851581 BVTZMEPGMRVCGW-ZIAGYGMSSA-N 254.414 4.510 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(Sc2ccncc2)cc1 1127381424 BLDAEGUWBPCSKE-UHFFFAOYSA-N 298.411 4.528 30 10 CJEE C=CCC1(CNC(=O)CCC2CCCCCC2)CCCC1 1128965998 MKOLDTYGZYYAFS-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCC1(NC(=O)c2ccc(C3CCC3)cc2)CCCC1 1131251426 JHYPLVILWYFWFQ-UHFFFAOYSA-N 283.415 4.573 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1NC(C)C 1146978270 SZEICWGMAWORMK-GFCCVEGCSA-N 294.826 4.701 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(F)cc2C)CCCC1(C)C 1169845480 VFERBXQIBFVBAE-KRWDZBQOSA-N 275.411 4.701 30 10 CJEE C=C(C)CCN1CC[C@H](c2ccc(C)cc2)C1(C)C 1175717204 YFLIBIGZPIKGRE-QGZVFWFLSA-N 257.421 4.529 30 10 CJEE C=CCCc1ccccc1NC[C@H]1C[C@H]2CC[C@H]1C2 1178552421 AHGDBCFFUNWUJG-BHYGNILZSA-N 255.405 4.653 30 10 CJEE C=C(C)[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 1205434855 RNUZDOYXHCEVND-MRRJBJDNSA-N 279.374 4.750 30 10 CJEE C#Cc1ccc(NC2CCC(CC)(CC)CC2)cc1 1308973455 DGRXRDJXIGPOID-UHFFFAOYSA-N 255.405 4.829 30 10 CJEE C=CC1(CC(=O)NC(C)(C)c2cccc(C)c2)CCCCC1 1360478516 QIOYNVDMKUNMAC-UHFFFAOYSA-N 299.458 4.873 30 10 CJEE C#Cc1ccc(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c(Cl)c1 1439796524 CDOYTKVWKAXIIG-VXGBXAGGSA-N 291.822 4.578 30 10 CJEE N#C[C@H](CCc1ccccc1)SCC1CCCCC1 1458926970 DVDIQZGGHHOKKZ-KRWDZBQOSA-N 273.445 4.825 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CCCC[C@H]1C 1459492293 VMUXFLZBVQLAJQ-SJLPKXTDSA-N 263.469 4.881 30 10 CJEE C=CCCCCCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1459915194 VRWQVHOKDKTXCP-HUUCEWRRSA-N 267.457 4.557 30 10 CJEE C=CCCC[C@@H](C)NC/C=C/c1cc(C)c(C)cc1C 1461392067 PQUWMNVOTLRPKS-SXAWMYDMSA-N 271.448 4.959 30 10 CJEE C#CC[C@@H]1CCN(C(=O)/C=C\CCCCCCCCC)C1 1470488125 HOQQHLIPJLPZGR-RXXLQFRUSA-N 289.463 4.555 30 10 CJEE C=C(CC)CN1CCCCC[C@@H]1/C=C\c1ccccc1 1473276853 DIVBFBXRCQENLN-FNDLEWIFSA-N 269.432 4.911 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC/C=C/c1cccc(F)c1 1474207663 AEHKGLFGIVNDER-KESHDOJXSA-N 273.395 4.563 30 10 CJEE 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289.806 4.555 30 10 CJEE SCC1(COC2CC3(C2)CC2(CCC2)C3)CCCCC1 2205148332 LRNRQKXYCVBFBN-UHFFFAOYSA-N 294.504 4.996 30 10 CJEE CCCCCCCCC(=O)c1nc(C)c(C)n1CCC 2205970549 ZURMALGBPJTFNB-UHFFFAOYSA-N 278.440 4.843 30 10 CJEE C=CCCCCCCCCN1CC(C)(C)OC(C)(C)C1 2207381901 MJNJLAFFUSMZDE-UHFFFAOYSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCCC[C@]1(C)N 2207396616 NCBMXRHFJFBGEC-WMZOPIPTSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCCNCC[C@@H]1CC[C@H]1OC 2207428550 BDRPWZAFOWDLRJ-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@](C)(O)c1cncc(F)c1 2207432691 RHTNFWMEOWHVFT-QGZVFWFLSA-N 279.399 4.735 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)C1(OC)CC1 2207438078 ORYMVGKIXLPWST-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)c1occc1C 2207438220 QNZPDXJTEMGHTD-MRXNPFEDSA-N 278.440 4.789 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCC(F)(F)CC)NC 2207469404 NCMABTJMBOWBDT-CABCVRRESA-N 293.442 4.511 30 10 CJEE C=C([C@@](C)(N)c1cc(Cl)cc(Cl)c1)[Si](C)(C)C 2216084399 LSGLQVAHONUPKU-CYBMUJFWSA-N 288.294 4.601 30 10 CJEE CC[C@](C)(CCCC(C)C)OC[C@@H](C#N)C(C)C 2218942890 NBJGOYRSTPBPPU-HZPDHXFCSA-N 253.430 4.794 30 10 CJEE C=CCCCCCCC[C@@H](CCC(F)F)NCC 2220088688 MPCYXNYESUKSNZ-AWEZNQCLSA-N 261.400 4.927 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H](C)C(F)F)NC 2220090534 CLKHCLABAZFUNC-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@@]2(Cl)CC2(C)C)C1 2222070606 WGNTYOUCIPSJDA-INIZCTEOSA-N 269.860 4.509 30 10 CJEE C=CCCCCCCS[C@@H]1CNC2(CCCC2)C1 2224064910 QZMGNKOTEUIVOD-HNNXBMFYSA-N 267.482 4.531 30 10 CJEE C=C1CC([C@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)NCC)C1 2225338320 WBTLXDTUUORUGD-LHHMISFZSA-N 261.453 4.537 30 10 CJEE CC1(C)C[C@@]1(C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225691249 YOKSIPOOZKTUHQ-ABAIWWIYSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CCC[C@@H](C)O1 2226907940 YKUTVYKNIPUSRR-IXDOHACOSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@@H]1C1CCCC1 2227270706 HVTRQLLMILFDOY-ZWKOTPCHSA-N 263.469 4.929 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2227277440 YGNTXRYOBASZNR-TXTZMMAHSA-N 261.453 4.667 30 10 CJEE C=CCCCCCCCNC[C@H]1C[C@H]2C=C[C@H]1CC2 2227283077 MHSVPCHNKSKLCX-OKZBNKHCSA-N 261.453 4.705 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(N)cc(Cl)c1 2227291309 PYQKNWMUVKOKDR-MRXNPFEDSA-N 281.827 4.872 30 10 CJEE CCCCCCCCC[C@]1(N)CCCc2scnc21 2229759150 CDKRQGYUUWDVOZ-INIZCTEOSA-N 280.481 4.774 30 10 CJEE CCCCCCCCCO[C@H](CN)c1sccc1C 2231008448 IXIRMOWPKHJWIV-OAHLLOKOSA-N 283.481 4.824 30 10 CJEE C=C[C@@H](CCCCC)O[C@@H](CNCCC)CC(C)C 2231022233 MWWWFYPGLGBSDY-DLBZAZTESA-N 269.473 4.552 30 10 CJEE CCCCC[C@H](C#Cc1ccc(Cl)cc1)NCCC 2231088752 OFVQAFJRPRPFFC-QGZVFWFLSA-N 277.839 4.640 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)Cc1cccc(F)c1Cl 2231511096 KTVQVSVLQQAPBE-WBMJQRKESA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 2231899472 BWLUOSZIKWUGOB-APIJFGDWSA-N 274.395 4.779 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2231903633 XMGJDVLXIKVFRN-YPLQCARHSA-N 264.453 4.780 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccnc(C)c1C 2231905188 LIZOCZPMOFWLRN-QGZVFWFLSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cnccc1OC 2231931267 VZCXIZWGIZEUFC-CQSZACIVSA-N 264.413 4.641 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2231946933 ULXCOCOANNRZGK-SMXFJAQXSA-N 263.469 4.617 30 10 CJEE C=CCC[C@H](C)[C@H](NC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233658471 WWDWZZWUBXSCRH-GVRJEKJASA-N 285.422 4.638 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2235513004 HQYWLFOJWMQCGL-UGUYLWEFSA-N 286.406 4.945 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCC[C@H](C)O1 2235514619 WGHSKXCHRZYQEL-BZSNNMDCSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCC[C@@H](O)c1ccc([C@H](C)N)cc1 2235524728 SSUTXAODMBYJLC-MAUKXSAKSA-N 275.436 4.656 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1CCCOCC1 2235538270 HKECRZXALANXHH-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CC1(Nc2c([N+](=O)[O-])ccc(F)c2Cl)CCCCC1 2235700493 XFXCFZYKKUWMFO-UHFFFAOYSA-N 298.745 4.688 30 10 CJEE CCCCC[C@@H](C)Oc1ccc(C(F)(F)F)c(C#N)c1 2236247058 DYLUOXQATFTYEU-LLVKDONJSA-N 285.309 4.925 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1 2238159898 YYRNQOUNNFRSCE-JOCBIADPSA-N 277.452 4.674 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](CCC)(C(=O)O)C1CCC1 2239499639 BJOAYWLVGCUGCM-DOTOQJQBSA-N 282.424 4.562 30 10 CJEE CCCCCCC[C@@H](CC12CCC(OC)(CC1)C2)NC 2240389227 QAJTWZLTRMGRSO-AOCRQIFASA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@]1(C#N)CCC12CCC2 2240572172 HJGHQGDFIWZVJT-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@H]1C[C@]12CCCOC2 2240627825 JKEIUMIWYANNLY-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@H]1C1CCOCC1 2240657539 MMBUTNBDKXJJJK-SZMVWBNQSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)Cc1ccncc1 2240658751 WXJHBWLRIKEZBX-SJORKVTESA-N 276.468 4.741 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H]1CCC[C@@H]1C(F)F 2241683865 MCDQNTREODXSMB-IRXDYDNUSA-N 293.401 4.746 30 10 CJEE C=CCC[C@@H](C)c1cc(OC)c(Br)s1 2242465318 QHAQDAKFBOXCPG-MRVPVSSYSA-N 275.211 4.589 30 10 CJEE CCC(CC)(CS)CSC[C@H]1CC[C@H](C)C1 2243697806 MFYCFMVHCYKFQS-STQMWFEESA-N 260.512 4.892 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccccc1Br 2244655870 CYNCYPKVZWSSSL-AWEZNQCLSA-N 282.225 4.585 30 10 CJEE C=C(C)CCCCC(=O)c1cc(F)ccc1Cl 2250143514 VOAIRUZTQDBAAA-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=C[C@H](C)C[C@H](CCCC[C@@H]1C[C@@H]1C)NCCC 2254599227 UEXUJKSHTCFQGP-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(Cl)c1OC 2256833361 QJFMOUVWOPUGFK-ZYHUDNBSSA-N 287.856 4.663 30 10 CJEE C=C(C)CCCC[C@H]1CCC(C)(C)C[C@H]1NCC 2259211613 MIRAAIKFDHJALK-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncc(C)cc1Cl 2259304100 KPUHQHBSCAMOER-TZMCWYRMSA-N 264.800 4.590 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCCCCS 2263205924 MVUQSYZBRKGAGV-PMPSAXMXSA-N 269.498 4.520 30 10 CJEE C=CCCC[C@@H](NC)c1sc(C(F)(F)F)cc1C 2263424721 KEETZIFZYAEZPD-SNVBAGLBSA-N 277.355 4.692 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264931052 MAEGIKCZORSBAV-CHWSQXEVSA-N 274.326 4.815 30 10 CJEE N#Cc1ccc(NCC[C@H]2CCCC23CC3)c(Cl)c1 2266657837 AQRBPSFWYDSGSR-CYBMUJFWSA-N 274.795 4.594 30 10 CJEE C=C(C(=O)c1ccc(CCC)cc1)c1ccccc1 2268122774 AAGHSVALJMXCKS-UHFFFAOYSA-N 250.341 4.535 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C[C@@]1(C)COC 2269285802 UAAUMOSFWFVSIA-IKGGRYGDSA-N 270.457 4.551 30 10 CJEE N#CC1(C[C@@H]2CCC[C@@H]2C(F)F)CCC(F)(F)CC1 2270061673 OCNBQBZICSROOI-QWRGUYRKSA-N 277.305 4.777 30 10 CJEE C=CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 2271591692 SLTDFVUUPDMSCE-GVDBMIGSSA-N 271.429 4.772 30 10 CJEE C=CCCCCCCCSCc1ccnc(C#N)c1 2271596824 NMZJRKSSDPFVSK-UHFFFAOYSA-N 274.433 4.713 30 10 CJEE C=CCCCCCCCOc1c(C(=O)O)csc1C 2271679084 MTPOQKGMUAPQCF-UHFFFAOYSA-N 282.405 4.660 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1csc(C)c1OC 2271797059 ITXXBJOJADATBO-HNNXBMFYSA-N 281.465 4.852 30 10 CJEE CCC1CCC([C@](C)(N)C#CC2CCCCC2)CC1 2273993462 SGBCUBRCPQZLOJ-VMWRSERWSA-N 261.453 4.504 30 10 CJEE C[C@@H]1C[C@@](C#N)(CC2CC(CC(C)(C)C)C2)CCO1 2274358374 MDUACRMGLIKDEZ-ARAOSMHQSA-N 263.425 4.548 30 10 CJEE CCCCCCCCCC1(OCCC(=O)O)CCC1 2274757309 LRCWFLQKAJGLAG-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE CCCCCCC[C@H](C[C@H](C)CCC)OCC(=O)O 2274941885 SHHIPQKSWULEPR-HUUCEWRRSA-N 272.429 4.643 30 10 CJEE C=CCCCCCC[C@@](C)(CCCCC)OCCN 2276154188 NFMRHPCUWAZGJG-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@](C)(CSC)OCCCN 2277296347 YJTMSAQXEVDKOC-INIZCTEOSA-N 289.529 4.614 30 10 CJEE CCCCCCCCC[C@@]1(C)N[C@H](C(C)(C)C)CO1 2278123791 CHWJOWYUYRLPJX-RDJZCZTQSA-N 269.473 4.878 30 10 CJEE C#CCCC[C@@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279601163 JIUVRCDTIHGRFV-RBSFLKMASA-N 289.385 4.527 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccccc2OC(F)F)C1 2282928115 MBFPPYNXBHGFND-LRDDRELGSA-N 279.330 4.551 30 10 CJEE CCCCCCCCOc1cc(C)c(CNC)c(C)c1 2282945331 FFORSUQOPUGWBI-UHFFFAOYSA-N 277.452 4.762 30 10 CJEE CCCCCCC[C@](C)(N)c1ccnc(C(F)F)c1C 2283099588 BSMHWHCSOXKJGX-INIZCTEOSA-N 284.394 4.862 30 10 CJEE CCCCCCCCCCOC[C@]1(N)C[C@H]2CC[C@H]1C2 2283876564 WEDXIHGFZBLMLC-OKZBNKHCSA-N 281.484 4.661 30 10 CJEE C=CCCC[C@H](C)NCCCCCCCCCCCO 2286795533 GQYZQFSRIDGZJG-SFHVURJKSA-N 283.500 4.824 30 10 CJEE C=CCCCCCCC[S@@](=O)C[C@@H](C#N)C1CCCC1 2287095966 FWQMKMWMCNYFHF-YLJYHZDGSA-N 295.492 4.592 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(C2CC2)ccc1F 2287303885 YOCNUSMZAGCSRX-GOEBONIOSA-N 272.367 4.587 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H](C)C1CCCCC1 2289690589 NSNNZJTZTHDMHJ-LPHOPBHVSA-N 275.480 4.765 30 10 CJEE O[C@H](C#CC1CCCCC1)[C@H]1C[C@@H]1C1CCCCCC1 2289696959 BLESRLLKFSFZNG-CEXWTWQISA-N 274.448 4.538 30 10 CJEE CN[C@H](CC#CC1CCCC1)[C@H]1CCCC(C)(C)CC1 2289880539 IPQUXPKAEBPYMZ-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@](C)(CC1CCCC1)OCC(=O)O 2290858683 MMDBEPXGPNMSIA-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCCC1(OCC(=O)O)CCC(CC)CC1 2290918358 OYLZYQSDRPNWIK-UHFFFAOYSA-N 284.440 4.787 30 10 CJEE C=CCC[C@H](C)[C@@](C)(CCC(C)(C)C)OCCC(=O)O 2291011420 AASZXZMXTFOWPT-WMLDXEAASA-N 284.440 4.665 30 10 CJEE C=CCCCC[C@H](OCC(=O)O)C1CCCCCCC1 2291458995 IAXFXHJQNRNMQH-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1C[C@H]1C(C)C 2293465679 FJZGHGTUVDGBEX-BZSNNMDCSA-N 283.500 4.763 30 10 CJEE C=CCCCCCC1(OCCCN)CC2(CCCC2)C1 2294034761 ANGOBOFHERVQEH-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C([C@@H](N)[C@](C)(O)CCCCCCCCC)C(C)(C)C 2295681026 CIBAZDYYHQOKDJ-SJLPKXTDSA-N 283.500 4.808 30 10 CJEE CCCCCCSC[C@H]1CCC[C@](C#N)(NCCC)C1 2295710401 GUIMMBSEIGDSAG-IRXDYDNUSA-N 296.524 4.752 30 10 CJEE CCCN[C@](C#N)(CSCC1=CCCC1)C[C@@H](C)CC 2296282426 WSLHBTQNYYZFAW-DOTOQJQBSA-N 294.508 4.528 30 10 CJEE C[C@@H]1C(=Cc2ccc(Cl)cc2)C(=O)[C@H]2C[C@H]1C2(C)C 2297449645 UEBBGXDEQGNQRK-VCTAVGKDSA-N 274.791 4.605 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Br)cc1C 2304021443 HZJMYCULVZISCQ-GJZGRUSLSA-N 296.252 4.750 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)c(Cl)c1 2321105554 QFWWBJBPEOUDSV-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(C)c(Cl)cc1C 2321147285 GGGIYBVUBTWFBL-HNNXBMFYSA-N 265.828 4.820 30 10 CJEE C=CCC(C)(C)C(=O)c1cccc(SC(C)C)c1 2327782132 OLMZGWISNSRRQY-UHFFFAOYSA-N 262.418 4.972 30 10 CJEE CCCCCCC[C@@](C)(N)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329756419 INUSZCGNKBMOGW-APIJFGDWSA-N 273.411 4.746 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)O)c(C(F)(F)F)c1 2335096077 JGVQSJHDKQJYHK-VHSXEESVSA-N 290.350 4.815 30 10 CJEE C=CC1(C[C@H](NC)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1 2338674585 QPJBIBQFAHDEAT-NXOAAHMSSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2338739528 WQORHZUCYRNEJL-HPBDAGMYSA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H]1CCC12CCC2)NCC 2338744362 NHKWEJXHRKUHJE-DLBZAZTESA-N 261.453 4.703 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)C[C@H]2CC[C@H]1C2 2339070004 JRIVTEOMZIPUEZ-WJWMFLMHSA-N 257.421 4.923 30 10 CJEE CCCCCCCCCC[C@H](O)C#C[C@@H]1CC1(C)C 2339567827 MWINWEAINDZRLN-SJORKVTESA-N 264.453 4.928 30 10 CJEE CCCCCC#CCNc1cc(F)ccc1C(C)C 2340241282 HAYABCNEAURUOT-UHFFFAOYSA-N 261.384 4.945 30 10 CJEE C=CCCCCCCCCOCC(=O)[C@@H]1CC1(C)C 2340908111 QIXMWQFWHXFUHA-HNNXBMFYSA-N 266.425 4.535 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC(C)=C(C)C2)C1 2343392364 UIAIWUMRXMBPGK-GVDBMIGSSA-N 261.409 4.612 30 10 CJEE CC1(C)CC[C@]1(C#N)Cc1cccc(C2CCC2)c1 2343809397 ONVDKDYCNRPOHA-GOSISDBHSA-N 253.389 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)[C@H]1CCC(F)(F)C1 2344341693 DPQMSLJQYVSXOM-KKUMJFAQSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C)CC(C(F)(F)F)C1)NCC 2344342047 GYNMDVUSIUQPBH-AHPWVWPOSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(CCC)cc1 2344349637 VEWQPCNTWVXGRI-ZWKOTPCHSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccccc1C1CC1 2344351769 LFORZQHVUOBKJY-MSOLQXFVSA-N 257.421 4.817 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1=CC[C@@H](C(C)C)CC1 2344369153 MQJYZJGNVJNDRY-JZXOWHBKSA-N 263.469 4.949 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(F)cc1C 2344396040 LPAQPMRXLSHESZ-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE CC1(C)CC[C@H](CCNc2ccc(Cl)cc2C#N)C1 2344855990 LPFRTZVOXOTXCF-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE Cc1scc(CN(C)C[C@](C)(CS)C(C)(C)C)c1C 2352091466 VMFKKBLOOSDBQR-MRXNPFEDSA-N 299.549 4.779 30 10 CJEE C=CCCCCCCC(=O)c1cc(C(C)C)ccn1 2353000297 CCFDQFQPKVMGGT-UHFFFAOYSA-N 259.393 4.914 30 10 CJEE CCCCCCCCCCCOCC(=O)[C@H]1C[C@@H]1C 2353180290 QICVXCNJKPFPFW-HOTGVXAUSA-N 268.441 4.759 30 10 CJEE CCCCCCCCCCO[C@@]1(C)C[C@@H]2C[C@H]1C[C@H]2N 2355703837 JODIJDIFJMGOOT-FJIDUMEYSA-N 281.484 4.660 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1C[C@H]1CC)OCCCN 2360088261 YKAUCKQIJLLTPT-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CC(C)c1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 20024492 SMZPEZYGUQSSKQ-CQSZACIVSA-N 264.372 4.855 30 10 CJEE C=CCOc1ccc(CNc2cc(Cl)ccc2F)cc1 35284054 NLSHBFWYVXYNOT-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE C=CCOc1ccccc1CNc1ccc(Cl)cc1C 37217101 PAGZVAUXXKVXOV-UHFFFAOYSA-N 287.790 4.825 30 10 CJEE CSc1ccc([C@H](C#N)Nc2ccccc2Cl)cc1 37938141 NVPIVRYFDSKIGK-HNNXBMFYSA-N 288.803 4.739 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2c(C)ccc(C)c2C)cc1 57684965 XSOUWYDTHTVOIT-LJQANCHMSA-N 293.410 4.997 30 10 CJEE C[C@](C#N)(CCCOc1cccc(Cl)c1)c1ccccc1 57687521 JXFXIWQSGYPOBG-GOSISDBHSA-N 299.801 4.980 30 10 CJEE COc1ccc([C@@H](C#N)CCCc2ccccc2)cc1Cl 57696798 DWLFNINBMPYHCO-MRXNPFEDSA-N 299.801 4.979 30 10 CJEE CCCCCCCOc1cc2ccccc2cc1C(=O)O 59088168 WZUSOYAEAWVSAF-UHFFFAOYSA-N 286.371 4.887 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(F)c(F)c1 59134403 XAGRWYNZSRLSNM-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE CCCCCCCOc1ccccc1CNCCC 59178726 OPKNZBAZVZRYGT-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](SCC2CCCC2)C1 62836080 GTJHTHQTCBOCOZ-AEGPPILISA-N 251.439 4.628 30 10 CJEE Cc1cccc(Oc2cc(C#N)c3ccccc3n2)c1C 68796557 ZGFYKFOFKXAMEV-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CC[C@H]1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 71132209 MXBSMMJLNLTTQM-NWDGAFQWSA-N 263.768 4.559 30 10 CJEE Cc1ccc2ncc(C#N)c(Nc3ccc(C)c(C)c3)c2c1 75330253 QENZQMGQLZKMHL-UHFFFAOYSA-N 287.366 4.775 30 10 CJEE Cc1nc(-c2cccc(OCC(C)C)c2)ccc1CS 82481711 QAJPBOWAKKTUIZ-UHFFFAOYSA-N 287.428 4.522 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Nc2ccccc2C)CC1 86914211 WDHSQACXAQWPGJ-WBVHZDCISA-N 256.393 4.660 30 10 CJEE Cc1cc(CNc2ccc(C#N)c(Cl)c2)sc1C 87580518 SDCAFVODXUPDQM-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OCC1(CS)CCCCC1 94583629 KWKNVPVPGZHPTP-CABCVRRESA-N 270.482 4.852 30 10 CJEE C=C(CC)C[C@H](NCCC)C(C)(C)c1ccc(F)cc1 97208828 QMFIQRNHCOQVCK-KRWDZBQOSA-N 277.427 4.828 30 10 CJEE CCCCN(CC)CCCCCCCCCS 97799190 NDGYEWGJYFRAFN-UHFFFAOYSA-N 259.503 4.769 30 10 CJEE SCCCCCCCCCOC1CCCCC1 97799693 WSQIHSIWOBDYDX-UHFFFAOYSA-N 258.471 4.996 30 10 CJEE Cc1cc(Cl)ccc1Oc1ccc(C#N)cc1C 104182978 IOCXINKLWDHXTH-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C[C@H](C)N 109763782 BVYMSUFLOQMWOX-ZDUSSCGKSA-N 283.843 4.579 30 10 CJEE CCCCCCCCCCCCNCC(C)(C)N(C)C 110167329 KMSCQXOGOPXHKX-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCCc2ccccc21 110258029 PNRJJMFRFRMQCW-KRWDZBQOSA-N 282.774 4.701 30 10 CJEE C=C(C)CC(=O)Cc1c(C)cc(C(C)(C)C)cc1C 118383813 MAUWVQYONUXZAI-UHFFFAOYSA-N 258.405 4.679 30 10 CJEE CC#CCC[C@@H](CCCCCCCC)NCCC 124647300 SNNABKPAQFFRKH-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(C)c(F)c1 124683222 HCXMLNGJCABMFW-MRXNPFEDSA-N 252.373 4.702 30 10 CJEE CCCCCCCC[C@@H](NCCC)C(C)(C)OCC 132532334 WNTHUEJLASZPGH-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE Cc1cc(C)c(C)c(Oc2ccc(C#N)c(C)c2)c1 133501505 XGFNNAJHLYLLHB-UHFFFAOYSA-N 251.329 4.584 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CSc2ccccc21 135385989 NMPWENLSKMJBIB-JKSUJKDBSA-N 278.461 4.987 30 10 CJEE CCCCCCC[C@@H](CC1CCSCC1)NCC 139685809 JKNOCDGQVMJPKP-INIZCTEOSA-N 271.514 4.858 30 10 CJEE CC1(C)CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 149830531 RETVPEVDTPKLIW-ZDUSSCGKSA-N 296.336 4.958 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 156100271 WOOPDQHQFVGEDR-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCNC[C@@H]1Cc2ccccc2S1 160912168 BMYMWGMKMMJHLQ-INIZCTEOSA-N 277.477 4.654 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@](C)(O)C1 163600395 BVKHLRPBHQXMHW-GOSISDBHSA-N 283.500 4.754 30 10 CJEE CCSc1cccc(NCCCCC(C)C)c1C#N 167607247 UZCOMJRJAUCMFL-UHFFFAOYSA-N 276.449 4.908 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)c1c(Cl)cccc1Cl 186077302 YQNSRZZKIQPEBQ-JTQLQIEISA-N 286.202 4.559 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)CC 226541573 HNAQUCXYVUNRQB-OAHLLOKOSA-N 255.446 4.604 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1cccs1)C1CCCC1 228823295 UUBDGALYYZHZIS-CZUORRHYSA-N 263.450 4.924 30 10 CJEE CCCCCCCCCC[C@H](CC(C)(C)C)NN 228894639 ZSMLGDBEICZXCN-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE CC(C)C[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 229766650 BGRYUXLLNYLDAV-WIHSUSGWSA-N 265.441 4.530 30 10 CJEE C=C(CNC(C)C)CSc1cc(Cl)ccc1Cl 231565199 MLRKADZYWLTAIN-UHFFFAOYSA-N 290.259 4.640 30 10 CJEE C=CCCCCC[C@H](CCCc1cccs1)NC 234447174 YUBJNBNVDGBTMG-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE C[C@@H]1CCC[C@@H]1CNc1ccc(C#N)c2ccccc12 235256402 XZFRKNNZSDGVAE-UKRRQHHQSA-N 264.372 4.560 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCC[C@@H](C)C2)c(Cl)c1 235320995 LBGVKDUXFBIEOG-CJNGLKHVSA-N 261.796 4.911 30 10 CJEE C=CCCCCCC(=O)Cc1ccccc1Cl 236058516 GWCQQYDVDHFERH-UHFFFAOYSA-N 250.769 4.588 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@H]1CCCN1 250822992 METQRINKOHJTAS-RTBURBONSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@H](C)NCC 250825319 NDZKIUWZEIKUBJ-OALUTQOASA-N 296.543 4.980 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C1 252170262 RBLJJVCLRRDUOZ-YABSGUDNSA-N 297.320 4.781 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@H](C#N)c1cccc2ccccc12 252211706 WMRBYYCTIYMTDO-MDASCCDHSA-N 278.399 4.573 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)CC(C)C)NN 300994098 WBIJTEFMTOIVCJ-HZPDHXFCSA-N 256.478 4.641 30 10 CJEE C=C(Br)CSc1cc(Cl)cc(Cl)c1 306490761 NQBQLQHTFOVFKJ-UHFFFAOYSA-N 298.032 4.994 30 10 CJEE CCN[C@@H](CCCC#CC(C)(C)C)c1ccccc1 311351515 WCQSQVYDRRGHSA-KRWDZBQOSA-N 257.421 4.557 30 10 CJEE O=CC1(Cc2ccc(Cl)c(F)c2)CCCCCCC1 316678137 FGENMQPFUPIXOY-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@H]2CCCc3ccccc32)C1 317424237 ONDXWIJYQHUIHW-SZVBFZGTSA-N 270.416 4.892 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCC1 322395866 QBKFBNVRGCVFIA-AWEZNQCLSA-N 282.309 4.568 30 10 CJEE CCCCCCCOc1cccc(/C=C/C(=O)O)c1Cl 328222365 LWFYPOUNPHGNGO-ZHACJKMWSA-N 296.794 4.787 30 10 CJEE CCCCCCCCCC[C@H](CN1CCCC1)NCC 328481754 KTQWRFFHKNBSJF-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCN(Cc1ccccc1)[C@@H]1C[C@H](CC)CC[C@H]1C#N 384406350 QKOUNXKNWDHLOC-NZSAHSFTSA-N 284.447 4.617 30 10 CJEE CCCCCCCCCCCCC(=O)C1[C@@H]2COC[C@@H]12 385579976 SQBNIDZLVDDQIV-HZPDHXFCSA-N 280.452 4.759 30 10 CJEE CCc1cc(N[C@@H](C)c2cccc(C#N)c2)ccc1C 394453416 LEOVCQGLHINOCK-AWEZNQCLSA-N 264.372 4.602 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H]1CC2CCC1CC2 394518996 SNZXVLGSRAVJDO-SJJHQCBESA-N 252.442 4.924 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)CC2CCCC2)CC1 394548528 ZHPCOPKUWGWOOF-UPTPFMHGSA-N 277.452 4.674 30 10 CJEE CC1([C@@H](O)C2(C#N)CCCCCCC2)CCCCCC1 394661533 DTGJCBMXEMQWLG-MRXNPFEDSA-N 277.452 4.962 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@@](C)(C#N)c1ccccc1 405543807 MNWHNPOORLTOCS-OCCSQVGLSA-N 269.310 4.837 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC(C)(C)C1CC1 405792758 TUBWEJAILQSYIC-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE C/C=C(\CC)C(=O)c1cc(C(F)(F)F)ccc1Cl 406023609 IKTXGOARGRAHDM-FPYGCLRLSA-N 276.685 4.898 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 464655960 KVUGKDLGJBWKLQ-WMZOPIPTSA-N 285.431 4.569 30 10 CJEE CC(C)(C)c1ccc2nc(Cl)c(CS)cc2c1 527417817 KXYYBRYFJYBMNX-UHFFFAOYSA-N 265.809 4.616 30 10 CJEE C=CCCCN(C)C(=O)c1ccc(C2CCCCC2)cc1 605644462 KJWFRUWFWYQUFK-UHFFFAOYSA-N 285.431 4.773 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccnn1CC(C)C 687056472 PEEPYINPIJVFSW-MRXNPFEDSA-N 279.472 4.550 30 10 CJEE Cc1c(NC[C@@H](C#N)C(C)(C)C)cccc1C(F)(F)F 689682351 XFGHSTMACSCYJY-LLVKDONJSA-N 284.325 4.612 30 10 CJEE CCCCCCCCCCN[C@@H](C)C[C@@H]1CCCO1 689834226 XPSWLBJLGHNPPJ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE N#C[C@@]1(Nc2ccc(Cl)cc2)CCC12CCCCC2 694373429 VXMUJRJOZVVLPK-INIZCTEOSA-N 274.795 4.759 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1cccc2ccccc12 695802706 XHFWIWAGMUWULO-ZDUSSCGKSA-N 253.345 4.547 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCC[C@H](C)CC1 697834412 FCKRDWRVFCWZIC-LSDHHAIUSA-N 271.514 4.623 30 10 CJEE FC(F)(F)C(F)(c1sccc1Cl)C(F)(F)F 701741913 OJJPJFORPAJQIU-UHFFFAOYSA-N 286.599 4.691 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCC[C@H](C)C1 703236287 AJXKOPBADPWYOJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC[C@@H](CC)C2)C1 703249946 JAWZEPPLMQHBCG-BRSBDYLESA-N 276.468 4.607 30 10 CJEE CC(C)CCC[C@@H](C#N)Nc1ccc(Br)cc1 703965011 WDNRRVVIWPRHNU-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 704024414 WJDJLSQMGLGRLE-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H](N)Cc1cncc(Cl)c1 705893346 ZXBXZMJUACYCBS-MRXNPFEDSA-N 282.859 4.746 30 10 CJEE CC[C@@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C 711086032 ZATWKSCPEZTVSR-LBPRGKRZSA-N 292.810 4.613 30 10 CJEE CCCCCCCCC[C@H]1[C@@H](NCC)CCN1CCC 712168763 CDDIQYRUHGEQPC-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CCSc1ccccc1NCc1scnc1Cl 713446660 GYEPKRJIKOOLFC-UHFFFAOYSA-N 296.848 4.687 30 10 CJEE C=CC[C@H](C)Nc1ccc(OC(F)(F)F)cc1Cl 715007526 XYSLRKGQZILHEX-QMMMGPOBSA-N 279.689 4.615 30 10 CJEE Cc1nc(N[C@@H]2CC(C)(C)CC[C@H]2C)c(Cl)cc1C#N 717429592 BZFOKTBDYKYXKL-QMTHXVAHSA-N 291.826 4.542 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2F)C2CC2)cc1C 821227243 SIMPXRYADPPYJM-XUTLUUPISA-N 297.373 4.773 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)[C@H](CC#N)c1ccccc1 821943811 YXAMWWQUXDFIDG-BPQIPLTHSA-N 270.420 4.542 30 10 CJEE Cc1ccc(N=Cc2ccc(Br)s2)cc1 1084636538 ZYHJNDMBYHMNRI-UHFFFAOYSA-N 280.190 4.570 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1ccc(Cl)cc1Cl 1126768606 PKLHRTIXJZLCFJ-SNVBAGLBSA-N 287.186 4.639 30 10 CJEE C=CCCC[C@@H](C(=O)N1CC2CCC1CC2)c1ccccc1 1127641292 MLGNFABZLGPNRA-NKELODKYSA-N 297.442 4.528 30 10 CJEE C=CCC1(CNC(=O)c2cc(C(C)C)oc2C)CCCC1 1128862301 QFKWNGUQWKUKHV-UHFFFAOYSA-N 289.419 4.578 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(-c2cccs2)cc1 1206597508 JIQJZIIDVUWABS-CQSZACIVSA-N 271.429 4.859 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C)c(C#N)c1 1207508933 DJSXGEAKKCQINU-INIZCTEOSA-N 272.436 4.705 30 10 CJEE C=CCCC[C@H](C(=O)N1CCC(C=C)CC1)c1ccccc1 1265170735 ZEJZSVTXHYBHMH-IBGZPJMESA-N 297.442 4.551 30 10 CJEE C=CC1(CC(=O)N(C)Cc2ccc(C)c(C)c2)CCCCC1 1275935793 ZMVLBMRZDMIIFQ-UHFFFAOYSA-N 299.458 4.788 30 10 CJEE C=CCCCC(=O)N(C(C)C)[C@@H](c1ccccc1)C(C)C 1279600564 ANEIQDQFHWNMMP-LJQANCHMSA-N 287.447 4.977 30 10 CJEE C=CC[C@@H](C)NCc1cccc(-c2ccccc2C)c1 1308270718 MVSARUVILRIHQF-MRXNPFEDSA-N 265.400 4.716 30 10 CJEE C=CCCCCCN(C)Cc1cccc(C2CC2)c1 1308618579 IAQHKLAGBLPJMF-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)[C@H](C)C(C)(C)C 1353387601 VFDLVNFBRLUQBL-CVEARBPZSA-N 293.495 4.900 30 10 CJEE C=CC(C)(C)CC(=O)N(C(C)C)[C@H](C)c1ccccc1 1436568000 LWJGUWXTQODQLE-OAHLLOKOSA-N 273.420 4.587 30 10 CJEE C=CCCCCCN1c2ccccc2SC[C@H]1C 1459704380 JEBBZCDXOZOQFN-CQSZACIVSA-N 261.434 4.734 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C(C)C)C(F)(F)F 1462123396 ZOZACLSPOFQGGT-STQMWFEESA-N 265.363 4.688 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](CC)[C@H]2CC2(C)C)c1 1467478002 NYTPYVJHGVADJZ-CVEARBPZSA-N 286.419 4.666 30 10 CJEE C=CCCCCN(Cc1ccccc1)[C@H](C)C1CC1 1473106781 ZELWJWAYXILNPE-MRXNPFEDSA-N 257.421 4.643 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@H]2CC)cc1Cl 1474070253 KBGPMTATJLDEBB-GDBMZVCRSA-N 293.838 4.573 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2CC)cc1Cl 1474070254 KBGPMTATJLDEBB-GOEBONIOSA-N 293.838 4.573 30 10 CJEE C=CCC1(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CCCCC1 1514649886 IFPNNAZDJCVPDT-IRXDYDNUSA-N 289.463 4.598 30 10 CJEE CC#CCCCC(=O)Oc1ccc(CC)cc1C(C)(C)C 1521411270 IBRAURRQKNNNIG-UHFFFAOYSA-N 286.415 4.646 30 10 CJEE C=C1CCC(C(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)CC1 1525031493 WLPYDMRONBJIEF-HOTGVXAUSA-N 291.479 4.702 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(Cl)c1 1525274353 XRNRLUNDIJPWTN-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CC(C)(C)CC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1 1532203796 MOZAAJXFCKPQOR-NVXWUHKLSA-N 285.431 4.589 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CCCC)cc1 1532324551 GNKFGYCASVMDFU-PKOBYXMFSA-N 299.458 4.894 30 10 CJEE C[C@H](C=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1536114762 NDSLUPGVPFJJST-LLVKDONJSA-N 278.273 4.675 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(F)ccc(C)c2F)c1 1537414582 PSSCSZLSHZEWDD-UHFFFAOYSA-N 287.309 4.559 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 1539297211 BNRAMRNIXIVXGN-GFCCVEGCSA-N 298.213 4.564 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(-c2ccccc2)c1 1539379894 DKYLSVYJGKDJBE-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE C=CCC1(NC(=O)CC2(C)CCCCC2)CCCCC1 1544862513 JLIQAMRKTDTAFV-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc2[nH]c(C)cc2c1 1562347018 DCMUFYXAIJOJGP-UHFFFAOYSA-N 299.418 4.590 30 10 CJEE C=CCCC(C)(C)CNCc1cc2cc(OC)ccc2o1 1621028615 JJJNPQBDGHEQPJ-UHFFFAOYSA-N 287.403 4.523 30 10 CJEE C#Cc1ccc(CN(CC(C)(C)C)CC(C)(C)C)cc1 1621315490 IIQQZKSSYJJLHA-UHFFFAOYSA-N 271.448 4.562 30 10 CJEE C=CCCC(C)(C)CNC(=O)N[C@H]1CCCC[C@@H]1CCC 1631106631 DDNZGSZJPAQORR-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C=CCC[C@@H](NCc1ccc2c(c1)COC2)c1ccccc1 1642481706 JNBQWYAFFULTCJ-HXUWFJFHSA-N 293.410 4.514 30 10 CJEE C=C(C)CN1Cc2cc(OC)ccc2C[C@@H]1C1CCCCC1 1644784781 CHWSNSYTFXYRNI-HXUWFJFHSA-N 299.458 4.578 30 10 CJEE C=CCCCCCOc1c(C)cc(Cl)cc1C#N 1652903101 HZTCPCRHSMBCLM-UHFFFAOYSA-N 263.768 4.645 30 10 CJEE C=CCN(CCCC1CCCC1)CCc1ccccc1 1653271698 MLIFJWHAUVDUEZ-UHFFFAOYSA-N 271.448 4.688 30 10 CJEE C=CCC1(CNCc2ncc(C(C)(C)C)s2)CCCC1 1656241506 LCTVYUDSWQTCBG-UHFFFAOYSA-N 292.492 4.667 30 10 CJEE C#Cc1ccc(NCc2ccc(Cl)c(C)c2)c(Cl)c1 1658694682 IFUFESVKKBFSGU-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C#CCN(Cc1cc(C(C)(C)C)oc1C)C1CCCCC1 1658952106 PQCCVOBRRVKUCD-UHFFFAOYSA-N 287.447 4.653 30 10 CJEE C#C[C@H](NCc1cccc(C2CC2)c1)c1ccc(Cl)cc1 1659354961 HEBNNTZETBVWFF-IBGZPJMESA-N 295.813 4.682 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(Cl)cc1OC 1659547724 UMUAXASZEDAUBI-GFCCVEGCSA-N 253.773 4.505 30 10 CJEE C=CCC1(NCc2ccccc2Cl)CCCCC1 1659793134 OMIJOQSCSJXMEH-UHFFFAOYSA-N 263.812 4.709 30 10 CJEE C=CCCN(C)C/C(C)=C/c1ccccc1C(F)(F)F 1664315243 FGEIACPBXFOORF-ACCUITESSA-N 283.337 4.617 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CC1 1664328348 ARYFNXOALVDSCL-WCXIOVBPSA-N 276.468 4.653 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@H](C/C=C\C)C1 1672562295 QWCNESPOXSRPEM-AATOQMJSSA-N 292.467 4.511 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(Cl)c(C)c1 1879645251 VLOUYGICRHMNHD-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CC#CCCC[C@@H](NCC)c1ccsc1C(F)(F)F 1879648808 ZALIKPYDKJOAGI-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE C=C1CCC(C[C@@]2(CNC(C)C)CCCSC2)CC1 1879867210 LDEHTVQMHQWFTF-QGZVFWFLSA-N 281.509 4.634 30 10 CJEE CC#CCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1883304975 MDYJQAZUPWITLX-KRWDZBQOSA-N 271.448 4.727 30 10 CJEE C#CC[C@@H](C)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1883493894 KDCPRQSVPNMRSA-IAGOWNOFSA-N 271.448 4.583 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccc(SCC)cc1 1888701009 KOLJEJHDAGYBEH-QGZVFWFLSA-N 270.397 4.545 30 10 CJEE C=C(C)CNc1c(Cl)cc(Cl)cc1Br 1902401444 FNKAGOJCTIFZOT-UHFFFAOYSA-N 295.007 4.744 30 10 CJEE C[C@@H]1CCC[C@@]2(CSC(=N[C@H](C)CCC(C)(C)C)N2)C1 1912091342 NNSLMUBCJHAYPC-CPUCHLNUSA-N 296.524 4.843 30 10 CJEE C=CC[C@H](C)OCc1cc(Cl)ccc1Br 1913328265 UQFHGBFRUIWVQG-VIFPVBQESA-N 289.600 4.584 30 10 CJEE CC(C)[C@]1(C)CSC(=N[C@@H]2CCC3(CCCCC3)C2)N1 1915908619 QBEWUMNEJWOCHE-ZBFHGGJFSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCN1c1ccc([C@@H](C)NCCC)c(Cl)c1 1917087720 ISYVPOJDHSNXJS-ZIAGYGMSSA-N 292.854 4.555 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCCC1CCC1 1919402394 RFSDXMPDUXGAKR-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE C[C@](O)(CC#CC1CCCCC1)c1csc(Cl)c1 1919980881 KEGSIKWZRMDMAT-HNNXBMFYSA-N 282.836 4.583 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@H]1CC)NCC 1921152138 ATKSZEPTIIIUKP-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(O)c1csc(C)c1 1922578336 OATSUIORFAUBPV-SJORKVTESA-N 297.508 4.603 30 10 CJEE CCCCCCCCC[C@@H](CC1CC(C(F)F)C1)NN 1927022876 YQIUVCFNGCDIFH-NRXISQOPSA-N 290.442 4.640 30 10 CJEE CC1(C)CC[C@H]([C@@H](C#N)c2ccccc2Br)C1 1949504140 DUJDLTRZUYNABW-WCQYABFASA-N 292.220 4.883 30 10 CJEE CCCCCCC[C@H](N)C1CC(OCc2ccccc2)C1 1955500903 JOJONZHHXDLOFQ-ACBHZAAOSA-N 289.463 4.670 30 10 CJEE C=CC[C@@H](NC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1962726451 MGSKKZSOFSTRFU-LLVKDONJSA-N 297.242 4.561 30 10 CJEE CC1(C)CC2(CC([C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)C2)C1 1975297321 BBGROEMNCYHVCZ-ZIAGYGMSSA-N 290.256 4.685 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(Cl)cc1Cl 1975936682 VQSSFQJDLQPTEE-VIFPVBQESA-N 257.160 4.778 30 10 CJEE C=CCC[C@@H](C)[C@@](N)(CC)c1ccc(Cl)cc1 1996480023 ZIVLNGQFBZBTQW-DOMZBBRYSA-N 251.801 4.506 30 10 CJEE C#CC(C)(C)CC(=O)c1cc2sc(C)cc2s1 2002360747 SJBZXTUYXKFQTL-UHFFFAOYSA-N 262.399 4.503 30 10 CJEE C=CC1(Nc2ncc(Cl)cc2Cl)CCCCC1 2008704779 FYKRMTFBJCJTJJ-UHFFFAOYSA-N 271.191 4.689 30 10 CJEE CC#CCCCCC(=O)c1ccc(Br)cc1C 2019540489 HBDKGHGTPRMEDG-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H]2CC[C@H]21 2027990640 ISKVILBDULUGHA-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CCCCCCC(=O)[C@H]1CCC[C@@H]1C(F)(F)F 2031700510 HZCYYZHTLLYYHK-RYUDHWBXSA-N 262.315 4.671 30 10 CJEE CC1(CC2(C=O)CCC(C(C)(C)C)CC2)CSC1 2035386089 AMVGYEHTDZVWFM-UHFFFAOYSA-N 268.466 4.551 30 10 CJEE Cc1cscc1C[C@]1(C=O)CCCC(C)(C)CC1 2039380869 LUXSKZBLYLGFAM-INIZCTEOSA-N 264.434 4.775 30 10 CJEE C=CCC[C@@H](C)C1(CN)CC(C)(C)CC(C)(C)C1 2040525724 LBZPRHANKNMFHE-CQSZACIVSA-N 251.458 4.770 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C)cc1Cl 2040529526 LDYMVFVFXSGQRZ-BBRMVZONSA-N 265.828 4.901 30 10 CJEE C[C@@H](C[C@]1(C#N)CCS[C@H](C)C1)c1ccccc1 2041733334 QXZTXCSQKXASGO-SQWLQELKSA-N 259.418 4.606 30 10 CJEE CCCCCCCCCO[C@H]1C[C@H](C)CCC1=O 2043736840 IIQWRQKUIORMKI-ZBFHGGJFSA-N 254.414 4.511 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ncc(Cl)s1 2045783044 RERWMKFZNDEOAM-GFCCVEGCSA-N 286.872 4.974 30 10 CJEE CCCC[C@](C)(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2047376280 VHYCSFCUQLXJOB-RQJABVFESA-N 255.352 4.778 30 10 CJEE C=CCCCCCC(=O)[C@]1(C)CCCCC1(F)F 2048978037 OSHSIFVXGSBUJN-AWEZNQCLSA-N 258.352 4.908 30 10 CJEE C[C@@]1(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CCCC1(F)F 2048990221 HYQBRMLVTXFPMM-XDQVBPFNSA-N 253.336 4.532 30 10 CJEE C=C(C(C)(C)C)[C@](C)(N)C1CCC(C(C)C)CC1 2049413888 BXYCALPABGYORJ-DQPZFDDXSA-N 251.458 4.769 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)CCCCCS 2049505238 XTKPEJDMFYPIMM-CABCVRRESA-N 271.514 4.623 30 10 CJEE C=CCCC[C@@H](C[C@@H](C)CC(F)(F)F)NCCC 2052916991 LXOLNCMGXTWLPS-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=C[C@H](C)CC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 2053064201 BALZAMGYDHZQJM-QJPTWQEYSA-N 262.315 4.527 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1)c1ccccc1Cl 2053467528 OSJLVENQEGLQPN-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE CCCCCCCN(C)CC1(C(F)(F)F)CCC1 2058879233 LXFIUXLUHOODET-UHFFFAOYSA-N 265.363 4.621 30 10 CJEE C=CCCCC[C@]1(CNC(C)C)CCS[C@H](C)C1 2059112276 RWKURRDTNUQOER-CVEARBPZSA-N 269.498 4.633 30 10 CJEE CSc1ccc(C(=O)C2=CCC(C)(C)CC2)cc1 2061187599 ICBAEIIEJRWBAJ-UHFFFAOYSA-N 260.402 4.728 30 10 CJEE C=CCC[C@H](C)C(=O)c1ccc(C(C)(F)F)cc1 2065171870 SBLUQOGKQCKHIS-NSHDSACASA-N 252.304 4.583 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@@H]2CC[C@@H]2C1 2068779117 MJQGYGAYHIMPRL-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@](C)(F)C(F)(F)F)C1 2071810025 PWDWADFEPOKXAW-UTUOFQBUSA-N 265.294 4.777 30 10 CJEE Cc1ccc([C@H](C)n2nc(C3CC3)c(C#N)c2Cl)cc1C 2079115776 IPMQJYJMCFAEOV-LBPRGKRZSA-N 299.805 4.512 30 10 CJEE C=CCCCCCC[C@H](N)c1ccc(O)cc1Cl 2085854378 OIAXFBKRQPGKQD-HNNXBMFYSA-N 267.800 4.572 30 10 CJEE C=CCCCCCCCCNCC1CC(F)(F)C1 2086261306 JSJPNUGPDUOZOY-UHFFFAOYSA-N 259.384 4.538 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CC[C@@H](F)C1 2086262690 YPQCJNLJGVNHNE-XHSDSOJGSA-N 255.421 4.759 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1C[C@H]1C(F)F 2086263359 GUJPLNVRNSSWFS-MJBXVCDLSA-N 259.384 4.522 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@H](C)SC1 2086283367 VCYXHRLNFXHCGK-HOTGVXAUSA-N 270.482 4.940 30 10 CJEE N#Cc1ccc(NC2(C3CCCCC3)CC2)c(Cl)c1 2087616037 KLTCSXQLGZAOCI-UHFFFAOYSA-N 274.795 4.736 30 10 CJEE CCCCCCCCC(=O)[C@H](O)c1sc(C)cc1C 2091010068 PYVVWPJUINLDJP-HNNXBMFYSA-N 282.449 4.718 30 10 CJEE CC1(C)CCC[C@]1(C#N)CC1(c2ccccc2)CC1 2093006048 ODXNCFYCXGYRTQ-GOSISDBHSA-N 253.389 4.828 30 10 CJEE CC1(C)CCC[C@]1(C=O)CCC=Cc1ccccc1 2093010791 IYDNZRQKJHNNBK-SFHVURJKSA-N 256.389 4.875 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1CC[C@@]2(C1)CC2(F)F 2099938367 RQKJVUJVUWJSJY-QLFBSQMISA-N 271.395 4.536 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1ccccc1C1CCC1 2102112197 QUQSXCKCTTWBHY-KSSFIOAISA-N 257.421 4.817 30 10 CJEE C[C@@H]1C[C@](C#N)(Cc2csc3ccccc23)CCS1 2103478722 MUEJPMIPBACJBC-WBMJQRKESA-N 287.453 4.869 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)CC1=CCCCC1 2105123498 GCWYUOSEOGCOOR-CQSZACIVSA-N 254.377 4.558 30 10 CJEE C[C@@](C=O)(C[C@H]1CCC=CCCC1)c1ccccc1 2107496893 HABKVYJVBHAAKH-WMZOPIPTSA-N 256.389 4.670 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1ccc(F)c(Cl)c1F 2107916842 MXNNGIYDNWEFSJ-BONVTDFDSA-N 287.781 4.871 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H](O)CCC1CCCCC1 2108209137 QHAOPNGPBVIUIN-DLBZAZTESA-N 265.441 4.818 30 10 CJEE CCCC[C@](C#N)(CC)[C@](C)(O)C1(C)CCCCC1 2108209754 ABVQLYIIMVPFHP-SJORKVTESA-N 265.441 4.818 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@@H]1CC12CCC(F)(F)CC2 2109409329 BGBIKAVLIHFUMH-IPYPFGDCSA-N 267.363 4.922 30 10 CJEE C=C([C@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C(C)(C)C 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ONDXWIJYQHUIHW-HHXXYDBFSA-N 270.416 4.892 30 10 CJEE CSCCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 320156056 MKIAPQJWDBREIC-MGPQQGTHSA-N 285.522 4.827 30 10 CJEE CCN(CC1(CS)CCCCCC1)[C@H](C)C1CCC1 325897170 TYYXFHXCPBQMLO-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2csc(Cl)c2)C1 378997655 QDANNWZROSNELF-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1CCC(F)(F)CC1 379927762 ZBHANRKMVMLONC-HNNXBMFYSA-N 285.422 4.620 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1nc2ccccc2s1 381763370 UXXMEYHEVLMNGK-GFCCVEGCSA-N 274.433 4.549 30 10 CJEE C[C@H]1CCC[C@@](C#N)(c2ccnc3cc(Cl)ccc23)C1 383718675 JRECMNNOOOURMV-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CCC2(CCCC2)O1 384879411 QKYRAKVMARQZKF-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(CC(C)C)cc1 384911994 DOLCPRUDJXQDBL-OAHLLOKOSA-N 259.437 4.748 30 10 CJEE C=CCCCCCCNc1cc(Cl)c(F)cc1N 385191741 VQJIUYXJDMOBBZ-UHFFFAOYSA-N 270.779 4.610 30 10 CJEE SCCCCCCCCCN1C[C@H]2CCC[C@@H](C2)C1 388648403 LTLXNSDYAICNPK-IRXDYDNUSA-N 283.525 4.769 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2cc(Cl)cc(Cl)c2)O1 393842712 ACXXAOBWTVZDID-QWHCGFSZSA-N 270.159 4.517 30 10 CJEE Cc1cc(Cl)cc([C@H](C#N)NC2CCCCCC2)c1 395183492 GZAQZSLNDFTPAY-INIZCTEOSA-N 276.811 4.526 30 10 CJEE N#C[C@H](CNc1c(F)cc(F)cc1Cl)C1CCCCC1 397099902 CVEOVLJPCDXTDJ-LLVKDONJSA-N 298.764 4.750 30 10 CJEE CC(C)N(Cc1cccs1)C[C@@H](C#N)C1CCCCC1 397143506 CVSMTVBOMLKVEA-MRXNPFEDSA-N 290.476 4.679 30 10 CJEE CC(C)[C@]1(C)CSC(=Nc2ccccc2C(C)(C)C)N1 398601126 ZVZZINUFVBRFCX-KRWDZBQOSA-N 290.476 4.723 30 10 CJEE CCCCCCCCCCCCN1C[C@H](O)CC[C@H]1C 399396427 FMFGNAMFIPLMHL-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CC[C@H](CC(=O)C1=CCCCCC1)CC(F)(F)F 402376735 XILYJBZZBYFWNZ-LLVKDONJSA-N 262.315 4.815 30 10 CJEE CC[C@H](CNc1cc(C#N)ccc1Cl)CC(F)(F)F 402581683 WQLTXLCWTDHRLD-VIFPVBQESA-N 290.716 4.602 30 10 CJEE C=CCC(C)(C)CO[C@@H]1CCCC(C)(C)[C@@H]1NCCC 403834519 FUUYFOSRMYLMJJ-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512630034 LFXBHSIOZMMJHH-GDBMZVCRSA-N 296.389 4.542 30 10 CJEE CCc1ccc(C(=O)/C=C\c2ccc(C)s2)cc1 606208019 CYRDCIUDGMTPAJ-KHPPLWFESA-N 256.370 4.515 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)c2ccccc21 695731109 SMNGIVGBMDEPOP-APPDUMDISA-N 282.774 4.872 30 10 CJEE CN(CC1CCC2(CC1)CC2)c1ccc(Cl)cc1C#N 696191146 WYKYOBZXXNMQMS-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1cccc(C#N)c1 697620004 FUADSPXLZAHSHV-PBHICJAKSA-N 270.420 4.568 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](C)Oc1ccccc1 700688325 QWPFSLALKJFRTA-AEFFLSMTSA-N 277.452 4.793 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1CC1(F)F 701928244 IFAWNJONZPOSPC-KGLIPLIRSA-N 262.384 4.923 30 10 CJEE CCCCCCCCCCN1CCC(O)(C(C)C)CC1 710663726 OXVJFZYYMKKLBO-UHFFFAOYSA-N 283.500 4.610 30 10 CJEE C=CCCC[C@H](C)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 712943346 GXNOZPLWJRKZMH-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=CCC1(NCC2CCC(C(F)(F)F)CC2)CCCC1 712975423 RBDRUFVASJQAIW-UHFFFAOYSA-N 289.385 4.834 30 10 CJEE C=CC[C@H](C)Sc1cccc(CNC(C)(C)C)c1 715756210 KPEXFDKCOOJHAN-ZDUSSCGKSA-N 263.450 4.631 30 10 CJEE CCCCCCCCCC[C@]1(O)COC[C@@H]1CC(C)C 716318602 ODABLQKSDWOUND-ROUUACIJSA-N 284.484 4.941 30 10 CJEE CCCCCCCCCCCCN[C@H](CO)CC(F)F 717712913 KVPZLGHBTWBNPB-HNNXBMFYSA-N 293.442 4.513 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCC[C@@H](C)C1 719584310 RQISRDNIOVHSPS-ZIFCJYIRSA-N 288.431 4.625 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2sc(C)nc2C)CC1 724616403 IQBWPXITDXJFIT-MRXNPFEDSA-N 292.492 4.937 30 10 CJEE C=C1CCC(C[C@H]2CC(C)(C)CC[C@H]2CNC)CC1 724619104 VFXMCQJBXFYIQZ-IRXDYDNUSA-N 263.469 4.785 30 10 CJEE CCC[C@H](/N=C1/N[C@@H](C2CCCCC2)CCS1)C1CC1 725080349 JRYJJERCCYGFIE-JKSUJKDBSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(C)cc2c1CCCC2=O 821996259 GNKSZJRHINDTBA-ZBFHGGJFSA-N 271.404 4.623 30 10 CJEE C=CCN(C(=O)c1ccc(CC)c(CC)c1)c1ccccc1 1124756389 HDCURYZBYOMSLP-UHFFFAOYSA-N 293.410 4.644 30 10 CJEE C=CCC1(NC(=O)[C@@H](CC)CC2CCCCC2)CCCC1 1131040480 JAUJAWALNMXCLY-KRWDZBQOSA-N 291.479 4.988 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccccc2SC)c1 1134626805 ORCTUYUMNYLCRQ-UHFFFAOYSA-N 283.396 4.694 30 10 CJEE C=CCN(Cc1cc(C)cc(C)c1)Cc1ccccc1F 1167138802 PQZKBXYPKGIPFJ-UHFFFAOYSA-N 283.390 4.631 30 10 CJEE C=CCCCCN1CCCc2c(Cl)ccc(C)c21 1170928127 DITRWNBTTMJCKK-UHFFFAOYSA-N 263.812 4.757 30 10 CJEE CCCCCCCCNC1CC(C)(C)OC(C)(C)C1 1172649813 UOWPPMASWSVWEW-UHFFFAOYSA-N 269.473 4.673 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCc2ccccc2C1 1179324813 GMWMVEGSVKMZTL-SFHVURJKSA-N 271.448 4.516 30 10 CJEE C=CCC1(NCc2cc(Cl)c(C)cc2O)CCCCC1 1181787309 RGBPJJHLTYSJQU-UHFFFAOYSA-N 293.838 4.723 30 10 CJEE C=C(C)CN(C)Cc1cccc(Oc2ccc(F)cc2)c1 1182978172 JFIXFWJLETWALW-UHFFFAOYSA-N 285.362 4.626 30 10 CJEE C=CCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 1193261546 QRQSLQFKKCDOKG-UHFFFAOYSA-N 282.214 4.659 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2C)C1 1202018392 MWAHVEPESMYDSR-CZUORRHYSA-N 297.364 4.848 30 10 CJEE C=CCCC1(CNC(=O)N[C@H](C)CCCCC)CCCC1 1211111582 OGYXYXJLAJQSOI-MRXNPFEDSA-N 294.483 4.781 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cn(CC)cn1 1258229481 QGSIWWABMABUAJ-INIZCTEOSA-N 279.472 4.522 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1269350616 JNLUDRWBQYTUKW-OWCLPIDISA-N 279.468 4.700 30 10 CJEE C#CCCCCCCN1CC[C@H](c2ccccc2)[C@@H](C)C1 1307502001 VKDGVETYHGIEIU-ICSRJNTNSA-N 283.459 4.696 30 10 CJEE CCCCCCCCCN1CCN(C)c2ccccc21 1307553743 WIGYDBCBGZUSBI-UHFFFAOYSA-N 274.452 4.693 30 10 CJEE C=C(C)CN[C@H](c1cccc(C(F)(F)F)c1)C(C)C 1307609290 VQQLPRHWHWLPMZ-AWEZNQCLSA-N 271.326 4.568 30 10 CJEE C=CCN(C(=O)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 1353745722 BAIZYTNZGMXSNO-AWEZNQCLSA-N 299.801 4.663 30 10 CJEE C=CCCCC(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 1359880668 OWPILRSKQBFDSP-SFHVURJKSA-N 287.447 4.979 30 10 CJEE C=CCC1(C(=O)Oc2ccc(Cl)c(F)c2)CCCC1 1435754453 KHLQJRFIZGTPCP-UHFFFAOYSA-N 282.742 4.521 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@H](C)c1ccc(CC)cc1 1437969602 SCRPVPDSROESRF-HNNXBMFYSA-N 287.447 4.604 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C=C)c1ccccc1 1448234310 DVBCWGOGUYLJNI-GOSISDBHSA-N 291.394 4.714 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cccc2ccoc12 1461632366 NPDRQZFIPDESSR-YOEHRIQHSA-N 269.388 4.657 30 10 CJEE C#CC[C@H]1CCN(C(=O)/C=C\CCCCCCCCC)C1 1470488122 HOQQHLIPJLPZGR-FFWXCITRSA-N 289.463 4.555 30 10 CJEE C=C[C@H]1CCCCN1C(=O)Nc1cccc([C@H](C)CC)c1 1476888620 AAUXNSDKPCYATL-PBHICJAKSA-N 286.419 4.773 30 10 CJEE C=CCC(CC=C)C(=O)N(C)c1cc(Cl)cc(Cl)c1 1521498860 DKWMDBADDPUKOX-UHFFFAOYSA-N 298.213 4.725 30 10 CJEE C=C[C@H](OC(=O)[C@@H](CCCC)C(C)C)c1ccccc1 1532387956 RAASTTPABDLHQI-IRXDYDNUSA-N 274.404 4.919 30 10 CJEE C=CCC1(CNC(=O)c2sccc2C(F)F)CCCC1 1540085268 TYLYRHZADKFVIM-UHFFFAOYSA-N 299.386 4.552 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](C)c1ccccc1SC 1544555862 SJVNGYWFLGGJAM-OLZOCXBDSA-N 278.417 4.615 30 10 CJEE CC(C)c1cccc(Nc2snc(Cl)c2C#N)c1 1559051566 GZDFOYYKCANMFZ-UHFFFAOYSA-N 277.780 4.535 30 10 CJEE C=CCCC[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 1560987000 OJJCEKLGQZOTHD-BPUTZDHNSA-N 279.374 4.717 30 10 CJEE C=C1CCC(CNCc2cc(C(C)(C)C)oc2C)CC1 1621061567 ROUGEHHIVRIADH-UHFFFAOYSA-N 275.436 4.722 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@@H]1C 1621138662 LUDWMOPQFOFUDP-FUHWJXTLSA-N 257.421 4.501 30 10 CJEE C=CCCCCC[C@@H](C)NCC1([C@H]2CCCCO2)CCC1 1621462200 NQRDTCOMSCRZKV-QZTJIDSGSA-N 293.495 4.840 30 10 CJEE C=CC1CCN(Cc2cc(Cl)cc3ccccc23)CC1 1644618492 XSHFSACHZHFAQV-UHFFFAOYSA-N 285.818 4.891 30 10 CJEE C=C(C)CCNC(C)(C)c1ccc(Br)c(C)c1 1645985870 FPHXDQKWNWGPCY-UHFFFAOYSA-N 296.252 4.548 30 10 CJEE C=CCCCCCCCNCc1nccc2ccccc12 1658065029 MUKSFDGXYKAIGV-UHFFFAOYSA-N 282.431 4.851 30 10 CJEE C=CCCC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 1658504395 YNFYJNOSHHXMLS-LEAZDLGRSA-N 281.443 4.886 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@H]1C(C)=CCC[C@H]1C 1658557955 NFNFHLOGJKAKQZ-XLIONFOSSA-N 294.442 4.539 30 10 CJEE C=CC[C@H]1N(Cc2cccc(CC)c2O)CCCC1(C)C 1659033145 SIOGROKYBSODKG-QGZVFWFLSA-N 287.447 4.521 30 10 CJEE C=CCCCC[C@@H](C)NC[C@@H]1CCN1C1CCCCCC1 1659859332 UELUWTKOHNKQLQ-MJGOQNOKSA-N 292.511 4.508 30 10 CJEE C=CCCSCCNC/C=C/c1c(C)cc(C)cc1C 1662820475 XLYDTGXSDFLEQP-BQYQJAHWSA-N 289.488 4.524 30 10 CJEE C=CC[C@H](CC)NC(=O)NC1CCC(C(C)(C)CC)CC1 1681568145 QSAGHXUYLNQSFV-PCKAHOCUSA-N 294.483 4.635 30 10 CJEE C=CCCCCCCCCNC(=O)N1[C@@H](C)CC[C@@H]1CC 1683043177 QXDVURQEBQZPAL-IRXDYDNUSA-N 294.483 4.876 30 10 CJEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(C)cc1 1874579440 OEIDYRHYSLOSCB-OUKQBFOZSA-N 292.378 4.846 30 10 CJEE C=CCN(Cc1csc(-c2cccs2)n1)C(C)(C)C 1884592790 KCKRXZUMAODABC-UHFFFAOYSA-N 292.473 4.658 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@H]2CC[C@H](CC)CC2)C1 1885059723 CVFQOBFXPWTOTG-KZNAEPCWSA-N 263.469 4.881 30 10 CJEE CC#CCCCCC1(CN)CC(C)(C)CC(C)(C)C1 1885236338 LDRLVXHCPGHVJA-UHFFFAOYSA-N 263.469 4.752 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](NCC)CC2(CCC2)C1 1885239201 YLZJSVQIDLAFNU-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=CCCCC[C@@H](CCCOCc1ccccc1)NCC 1885309562 QOVCAGAGZBKHSA-IBGZPJMESA-N 289.463 4.708 30 10 CJEE CCCCCCCN(C)c1ccccc1[C@@H](N)CC 1887129359 JAOCLNDYQRDVGB-INIZCTEOSA-N 262.441 4.503 30 10 CJEE 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CCSc1cccc(N2CCCCC23CCC3)c1C#N 2183229482 GUQNHSXMPKDGRI-UHFFFAOYSA-N 286.444 4.583 30 10 CJEE N#C[C@@]1(CCCOC2CCCCC2)CCCC(F)(F)C1 2184852211 NUVCFDZZKXONBF-OAHLLOKOSA-N 285.378 4.835 30 10 CJEE C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc(C#N)cc1Cl 2185456428 XHVDUWWWZKLHRP-PIGZYNQJSA-N 282.774 4.557 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CCC(C)C 2186017613 AULPFNYZHDSUGK-ROUUACIJSA-N 284.532 4.821 30 10 CJEE C[C@@H]1CC[C@H](CNC(C)(C)C)[C@H](CC#C[Si](C)(C)C)C1 2187468406 OCMQQVDKPHODMZ-BRWVUGGUSA-N 293.571 4.698 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@H]1CCCC2(CC2)C1 2187477102 SPEWKFJDGNMAFN-IRXDYDNUSA-N 291.555 4.596 30 10 CJEE C=CC1(C[C@@H](NCC)[C@]2(C)CCCC(F)(F)C2)CCC1 2188662005 DSKFDBORIOXRCO-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE CC(C)(C)c1ccc(C[C@]2(C#N)CCCC2(C)C)cn1 2192110229 KURLPZKZOHSHPR-SFHVURJKSA-N 270.420 4.642 30 10 CJEE CCCCCCC[C@H](C)NCc1cc(C(C)(F)F)on1 2192908588 OCVXOAJYJSXDTC-LBPRGKRZSA-N 288.382 4.625 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@]23C[C@H](CCO2)C3)C1 2193685402 QKPCIPQRFZPWMP-UJKQEGAGSA-N 275.436 4.692 30 10 CJEE CC#CCCC[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2194059112 MCFLXSKCWKTUNS-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCN1CCC[C@H](COCC)C1 2195671373 VMSALDBOBAHGAY-SFHVURJKSA-N 283.500 4.876 30 10 CJEE C=C[C@H]1CCCCN1CCC12CC3CC(CC(C3)C1)C2 2195954812 ILNYGCTWAJZOGH-NNGLDNROSA-N 273.464 4.633 30 10 CJEE CCCCCCCCN(C)CC1(C=O)CCC(C)CC1 2196727358 PJZFHPNRIZHAEX-UHFFFAOYSA-N 281.484 4.674 30 10 CJEE C#CC[C@H](C)C[C@@H](CSc1cccc(C)c1)NCCC 2196846472 AQLZOTAPTXSEQY-RDJZCZTQSA-N 289.488 4.505 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)c1ccccc1Cl)C1CC1 2196856301 GLZOFVUEIHIFES-YJBOKZPZSA-N 289.850 4.820 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CCC2(CC1)CC2 2197153373 YEQPDFWIOUYONQ-SFHVURJKSA-N 269.432 4.648 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1ccccc1CCC 2197154912 LNLSKTYRGPMCPW-IBGZPJMESA-N 265.400 4.613 30 10 CJEE CCSc1cccc(N[C@@H](C(F)F)C2CCC2)c1C#N 2197909323 IOKZUTXJAZGQAW-CQSZACIVSA-N 296.386 4.516 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]2COC[C@H]21 2198562872 AWOHCDFHVDHVSZ-QZTJIDSGSA-N 281.484 4.628 30 10 CJEE CC[C@H](C)[C@H]1CSC(=NCC2(C)CCC(C)(C)CC2)N1 2201218792 SGAZJXQGEZFHFJ-UONOGXRCSA-N 296.524 4.700 30 10 CJEE CC1(C)CCC[C@H](CO[C@H]2CC(C)(C)CCC2=NO)C1 2203206171 AYLXJHKCLRFUBF-ZFWWWQNUSA-N 281.440 4.628 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1CCCC1(F)F)NCC 2203834670 SAIZIYYMWGVKEA-HOTGVXAUSA-N 285.422 4.764 30 10 CJEE O=C[C@]1(CC2C3(CCC3)C23CCC3)CCCC12CCC2 2204027468 YIWCGFYQRIELKM-QGZVFWFLSA-N 272.432 4.886 30 10 CJEE C#C[C@@H](N[C@@H](CC)C1CCC(C)(C)CC1)C1CCCC1 2204035170 YOZFWVRBSYZEIP-MSOLQXFVSA-N 275.480 4.763 30 10 CJEE C=CCCCCCC[C@@H](O)C1CC2(C1)C(F)(F)C21CC1 2206903136 PKUZLBODGXRZAJ-NPCAHTBFSA-N 284.390 4.699 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H]2[C@@H](C1)C2(F)F 2207374870 DCJYBERPQJOBGE-HZPDHXFCSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2207403855 QDGFREAYNPHJQS-YICVATSJSA-N 275.480 4.913 30 10 CJEE C=CCCCCCCCCCN[C@H]1CCO[C@H](CC)C1 2207432401 OSACRBLLRDOUSD-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cc(C(C)C)[nH]n1 2207434149 DTRLGDDDERHEES-KRWDZBQOSA-N 278.440 4.873 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCC[C@@H]1[C@H](C)N 2207436661 LOBAUABEDGSWTF-RCCFBDPRSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCCN[C@H]1CO[C@H](C(C)C)C1 2207449986 SKJJDJOBHODBOG-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CCCCCCCCNC1CCC(C2CC2)CC1 2218898715 MZDSEDQBAPVSPR-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE Cc1cc(NCCCC(C)(C)C#N)c(F)cc1Cl 2219261445 DFIORPCHJJPDQQ-UHFFFAOYSA-N 268.763 4.529 30 10 CJEE C=CCCCCCCCN[C@H]1CCC[C@@H]1SCC 2220092605 MTSMCKAKVGQRGA-HOTGVXAUSA-N 269.498 4.777 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@H]1CC 2220093661 SCCCYBXAPDHMST-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCN1CC[C@@H](C(C)(C)F)C1 2220094364 VFGDURGUVADVFH-OAHLLOKOSA-N 255.421 4.583 30 10 CJEE CCCCCCCCOc1c(CN)sc(C)c1C 2221749928 AUBRWWHVYPBGFX-UHFFFAOYSA-N 269.454 4.563 30 10 CJEE CCCCCCCCCCN(C)C1C[C@H]2C[C@@H]2C1 2222716235 UBADCUMGPXAXBR-HZPDHXFCSA-N 251.458 4.857 30 10 CJEE CC(C)(C)C#CCCNCc1cccc(Cl)c1Cl 2222825469 SEIVSRCWCMNYTQ-UHFFFAOYSA-N 284.230 4.523 30 10 CJEE CCC1CCC(C#N)(CCCCCCCCO)CC1 2224947884 XJDWOKKWTOEZGN-UHFFFAOYSA-N 265.441 4.820 30 10 CJEE C#C[C@H](CC(C)C)N[C@@H]1CCCC2(CCCCC2)C1 2226322854 TXJJYHRBKQFJHZ-IAGOWNOFSA-N 261.453 4.517 30 10 CJEE C=CCCCCCCC[C@@H](N)C(CC)(CC)OCC 2227270783 GVFZRLUPENIUSY-MRXNPFEDSA-N 269.473 4.826 30 10 CJEE C=CCCCCCCC[C@@H](CC1CCCCC1)NN 2227281267 GASOVFWLKMYXEC-KRWDZBQOSA-N 266.473 4.705 30 10 CJEE C=CCCCCCCCC(=O)C[C@H]1CCCOCC1 2227285586 UTKSZPURARYEFR-INIZCTEOSA-N 266.425 4.679 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)[C@H](C)C(C)(C)C 2227287005 YYVRPMWFAACSKR-HOCLYGCPSA-N 268.441 4.515 30 10 CJEE C#CCCCC[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2228035079 MMMHCTCDTDOEQY-CYBMUJFWSA-N 289.728 4.552 30 10 CJEE C=C[C@@H](CCCCC)OCC(C)(C)CN[C@H](C)CC 2231018524 UYYKBPUMLVANKX-CVEARBPZSA-N 269.473 4.552 30 10 CJEE CCCCCCCCCCO[C@@H]1CCN[C@H](CC)C1 2231024595 AFILGEYDBCINEQ-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE Cc1sc(C(=O)C#Cc2cccc(Cl)c2)c(C)c1C 2231076566 PHNLASAQSOFEJK-UHFFFAOYSA-N 288.799 4.561 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)c1snnc1C 2231935324 RCNUHKUALDVQNO-OLZOCXBDSA-N 283.485 4.636 30 10 CJEE C=CCCCCCCCC[C@H](O)C1(CCC)CC(N)C1 2233431053 IZHYSSJIDCBCLE-ADKAHSJRSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCO[C@H]1CCC2(CCC2)[C@H]1N 2234043292 PFRVUMWEXJMLHH-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCO[C@@H](CC(C)C)C(=O)OC 2234048218 KUFKMAPLBIMHID-INIZCTEOSA-N 284.440 4.507 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@]1(O)CCCCC1(C)C 2235522266 RZKNFWOTYSBKJS-SJLPKXTDSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1CNc2ccccc21 2235540416 WYRTZQXXPUIGCB-MRXNPFEDSA-N 271.404 4.682 30 10 CJEE C=CCCCCCCCN(CCC)CC1CCOCC1 2235541693 KRAGZEQEXZYDOT-UHFFFAOYSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@H](F)C1CCC1 2236403221 UEFQKIXPILGIOR-IAGOWNOFSA-N 284.463 4.653 30 10 CJEE CCCCCCCCCCC[C@H](O)c1ncncc1F 2238045350 QIVSELJSXFNETO-HNNXBMFYSA-N 282.403 4.570 30 10 CJEE C#C[C@@H](N[C@H]1CCC[C@H](C(C)(C)C)C1)C1CCCCC1 2238160347 YLRHHPOLRCCNSC-OKZBNKHCSA-N 275.480 4.763 30 10 CJEE CCCN[C@](C)(C#N)CCSCCCCCCC1CC1 2239360598 WBWQJXGNICFQRM-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ncccc2C(C)C)C1 2239410633 KMQWWRJJBHTWMR-MAUKXSAKSA-N 273.420 4.533 30 10 CJEE CCCCCCCCCCOc1ncc(Cl)cc1CO 2239497141 DQLSUEHQQKSGST-UHFFFAOYSA-N 299.842 4.747 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1C[C@@H](NCC)CC(C)(C)C1 2239498664 FLXWFBKKDWGICW-ZACQAIPSSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC2(CC2)[C@H]1O 2239500353 NVZANUZEWNXGNY-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE CN[C@@H](C#Cc1cccc(Cl)c1)C[C@@H](C)CC(C)(C)C 2239559516 RBZZKIIWKSFWKS-PBHICJAKSA-N 291.866 4.742 30 10 CJEE CCCCCCCC[C@@H](C)N1CCC(N)(CCC)CC1 2240565038 HPHARKPOFAUWML-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCC)C1=CCCC1 2240640779 UHSKQPUKFSYYOC-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCCN[C@H](C)c1ccc(Cl)cc1 2250161224 LCXIBRWZACQSJK-CYBMUJFWSA-N 251.801 4.737 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@@]1(C=O)CCC(F)(F)C1 2257292531 OLQHKEJJXGEPTK-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=CCC[C@@H](C)Oc1cc(C)c(Cl)cc1C(C)=O 2258554865 JGNFAWJLIDYHCG-LLVKDONJSA-N 266.768 4.585 30 10 CJEE C=CCCCCCCCSCC(=O)OC(C)(C)C 2258979103 RJEGKHAOZMQDJU-UHFFFAOYSA-N 272.454 4.588 30 10 CJEE C=CCCCSC[C@@H](NCC)c1ccc(Cl)cc1 2258987693 AIUTUDRPAHKPOR-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE C=CCCS[C@H]1CC2(CCCCCC2)CC[C@@H]1N 2259044070 FIXVLTUXZGVPLV-GJZGRUSLSA-N 267.482 4.516 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CC[C@@]2(C1)CC2(F)F 2259174144 XBGAZGWDOMNPPX-TZMCWYRMSA-N 256.336 4.518 30 10 CJEE C=C(C)CCCCC(=O)c1c(Cl)cccc1OC 2259182638 KARXZTCZSWBBQU-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE C=CC1(CNCC[C@@H](C)CCCC(C)C)CCC1 2259636803 UJHNOJCHRWGQPW-INIZCTEOSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](CC)[C@@H](C)O1 2263649206 OXRCVMYOVVUZTL-OWCLPIDISA-N 255.446 4.630 30 10 CJEE CCc1ccc(NCC=CC#CC(C)(C)C)cc1C 2268820826 CDMBQZJWAFUMOJ-UHFFFAOYSA-N 255.405 4.575 30 10 CJEE O=CC1(CCCCCCCCCCO)CCCCC1 2271228384 CFIHVERDMQWBKZ-UHFFFAOYSA-N 268.441 4.639 30 10 CJEE C=CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NCC 2271592570 XVMWHNPCBPNWEX-ARFHVFGLSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@H]1CCCC(F)(F)[C@@H]1NCCC 2271796024 CMOHWLCEQZEWKQ-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE CC(C)CCC[C@@H](C)CCNC[C@H](C#N)C(C)(C)C 2272247517 LNCDFLXXXXLGBP-CVEARBPZSA-N 266.473 4.614 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H](CC)C(C)C 2277215853 JJMCFLONKOJKDQ-DLBZAZTESA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCCOCC1 2278239008 LEWLXTRIQDAXLM-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE N#Cc1cccc(F)c1Oc1cccc(C(F)(F)F)c1 2280423868 NXYZNZWWWAUFIK-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE C=C(C)CC[C@H](C)N[C@H](CCC)c1ccc(OC)cc1 2283568306 LYPVJPRQIJPMEK-MAUKXSAKSA-N 275.436 4.871 30 10 CJEE CC(C)C1CCC([C@@H](N)CC=CC#CC(C)(C)C)CC1 2284085998 LWFLDZBUBHQTCO-ABHNRTSZSA-N 275.480 4.772 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1CC(C(C)C)C1 2284164917 PTKWXGOGPRRCRR-ABHNRTSZSA-N 275.480 4.643 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)CC[C@H]1C[C@@H]1C 2284167481 QXHSBVWSAFNZHY-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCN1CCC(c2cccs2)CC1 2284184667 HSHWPNUCYYISIS-UHFFFAOYSA-N 287.472 4.533 30 10 CJEE O=C[C@]1(C[C@@H]2CCC[C@H]2C(F)F)CCCCC12CCC2 2285545876 LFWXXRJRMVUWCT-JJRVBVJISA-N 284.390 4.988 30 10 CJEE N#C[C@]1(C[C@]23CCC[C@@H]2CC3)CCCc2ccccc21 2289130009 BKZGUELWNMGDNE-BHIYHBOVSA-N 265.400 4.755 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1C(C)=CCC[C@@H]1C 2289612592 OGOWZSLYVBAANM-UHOSZYNNSA-N 273.464 4.541 30 10 CJEE CCCCCC1CCC([C@@H](N)C#CC2CCCC2)CC1 2289685635 DMYSSDMUBCBHOJ-ACBHZAAOSA-N 275.480 4.894 30 10 CJEE CCCCCCC[C@](CCC)(OCCC(=O)O)C(F)F 2290883039 ZNUYJBHONZWGRI-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@](CCC)(OCC(=O)O)C1CCC1 2290921947 MLNOUYAXNFIXFC-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@H]1CCCS1 2292648302 WLSQHDWUIDKMQX-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=CCCCCC[C@H](OCC(=O)O)c1sccc1CC 2292698131 DWZBHKPQELRACP-AWEZNQCLSA-N 296.432 4.589 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)c1ccccc1Cl 2292766232 FYJVKNGYVYBNHV-QGZVFWFLSA-N 295.854 4.883 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCN)[C@@H]1CCCC(C)(C)C1 2293133232 MWVUZHFGLUFZJC-LZLYRXPVSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H]2CC[C@@H]21 2293373765 MNKDGIJQNPROPB-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC(F)(F)F)OCCN 2293474679 ILJKUDPBYHCPIR-KGLIPLIRSA-N 297.405 4.669 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)CCCS[C@H]1C 2293575048 DHXRYPLPWVRQGG-DLBZAZTESA-N 299.524 4.533 30 10 CJEE C=C1CCC(C[C@](C)(OCCN)[C@@H](C)CC(C)C)CC1 2294117744 UBDJZMMRRDSMSY-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(CC1C[C@@H]2C[C@H]2C1)OCCN 2294308189 MADJSEHLBWOQHK-KZNAEPCWSA-N 281.484 4.517 30 10 CJEE C=C[C@@](N)(c1ccccc1-c1ccccc1)C(C)(C)C 2294728938 GCNMHXYDEFZYKR-LJQANCHMSA-N 265.400 4.740 30 10 CJEE N#Cc1sccc1CN[C@H]1CCCCC12CCCCC2 2294732177 UJLHTSWYVYTDBQ-INIZCTEOSA-N 288.460 4.602 30 10 CJEE Cc1c(NCc2ccsc2C#N)cccc1C(F)(F)F 2294745149 PKSVGBCMCUGVFP-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CC1(C)CCC[C@]1(C#N)c1ccc2cc(Cl)ccc2n1 2294977105 QHZVUUIHRCEZLV-KRWDZBQOSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 2295669222 RRHFCUUNQNLUGL-CVEARBPZSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C1CC(CC)C1 2295683211 YQMRAQIKPYPGSC-FOIPXRHGSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@H](C)Nc1ccc(C#N)nc1 2295683268 ZJFIQDQPSIUHDV-HNNXBMFYSA-N 273.424 4.894 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CC[C@H]1C[C@@H]1C 2295683294 ZVLCJJBFNJGDQO-FJIDUMEYSA-N 283.500 4.642 30 10 CJEE C=CC[C@@H](C)S[C@H](C)C(=O)c1cccc(Cl)c1 2298937905 BPMKIPGSJRSWPD-GHMZBOCLSA-N 268.809 4.609 30 10 CJEE CS[C@H]1C[C@H](C[C@@]2(C#N)CCCCC2(C)C)C1 2299363878 FPYTYUSBVMSMMW-UMVBOHGHSA-N 251.439 4.628 30 10 CJEE C=C(C)CN(CC)Cc1ccc(Cl)c(Cl)c1C 2301016686 DWDOQBRDPHTCRG-UHFFFAOYSA-N 272.219 4.700 30 10 CJEE C=C([C@H](O)c1ccc(Cl)c(Cl)c1C)[Si](C)(C)C 2301237410 WRQJTGAUIWQJIY-ZDUSSCGKSA-N 289.278 4.769 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(Br)ccc1C 2304027234 GZGRIRJEJLSTDP-CQSZACIVSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)Sc1sc(CNCC(C)C)cc1C 2313705520 UNNXSPXQZATCSD-ZDUSSCGKSA-N 283.506 4.859 30 10 CJEE CCCCCCCCC[C@@](C)(N)C1(C(F)F)CC1 2317523509 CEKRMSFFWOARLM-CQSZACIVSA-N 261.400 4.890 30 10 CJEE C[C@H]1C[C@H](OCC2(CS)CCCCC2)C[C@@H](C)S1 2317874062 JUPVTYRMJUVLSZ-BTTYYORXSA-N 288.522 4.556 30 10 CJEE C=CC[C@H](C)[C@@H](CC(C(C)C)C(C)C)NCCC 2321127335 IWEFXLKXMRGZBD-DOTOQJQBSA-N 253.474 4.885 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H](C)CC(F)(F)F)NCC 2321129866 DZWHTSORXFBXQH-RYUDHWBXSA-N 265.363 4.545 30 10 CJEE C=CCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2325264209 ATJDAQRUJQRMOD-NSHDSACASA-N 290.209 4.619 30 10 CJEE CC(C)(CS)COc1ccc2ccccc2c1Cl 2327874720 HXMCMRVLIOGRJR-UHFFFAOYSA-N 280.820 4.828 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H]2C[C@H]1C[C@H]2F 2329128842 YDFYVORPZWEFSL-MWDXBVQZSA-N 269.448 4.983 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2330295148 RVXUENVPULNFSB-ATIWLJMLSA-N 264.453 4.924 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)NCCC)cc1F 2335239094 ROLIRPOHOUAYFZ-QWHCGFSZSA-N 281.440 4.943 30 10 CJEE CCCCCCCCC[C@H](C#Cc1cccs1)NC 2338244329 RBKHYRSDAKDZPM-MRXNPFEDSA-N 277.477 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCC[C@H](C)C1 2338733551 TXXMUMDHXREEMC-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H](C)C1CCCCC1 2338747918 VESXLRIDEXQPJI-MAUKXSAKSA-N 263.469 4.949 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(F)c(C)c1Cl 2339214806 QTSGRXPDQIUUTK-UHFFFAOYSA-N 283.818 4.870 30 10 CJEE Cc1cc(N[C@@H](C)C2(Cl)CCCC2)cc(C)c1C#N 2340738050 GSHJHTICHLLJKB-ZDUSSCGKSA-N 276.811 4.527 30 10 CJEE CCC1CCC(C=O)(CC[C@H]2CC[C@@H]2C2CC2)CC1 2342384660 VSILOBBMBAKPMA-FZBQFSLMSA-N 262.437 4.988 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)cc(F)c1 2344394803 GJIOAUCCRINXBA-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=C[C@]12C[C@H](CCN1C[C@H]1CC[C@H](CCC)CC1)C2 2351689329 DXGZLYLYAPVJQD-VHKIVQRHSA-N 261.453 4.633 30 10 CJEE O=CC1(CC2CCC(CC(F)(F)F)CC2)CCCC1 2353164142 UQVNGZHFHUBFHN-UHFFFAOYSA-N 276.342 4.895 30 10 CJEE CCCCCCCCCCCOC[C@H](O)[C@H]1C[C@@H]1C 2353363712 FTCBRWBGLUXZJF-ULQDDVLXSA-N 270.457 4.551 30 10 CJEE CC(C)C[C@@H](CS)CN(C)CCCCCCC1CC1 2353845172 LLNPIVATZYLCPJ-QGZVFWFLSA-N 285.541 4.871 30 10 CJEE CC1CCC(CS[C@H](C)C[C@](C)(C#N)NC(C)C)CC1 2360506525 MCJFASNPJOHALG-MNAZLIDISA-N 296.524 4.605 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1ccc(C#N)cc1F 21508727 XENMJIAVBIBLRH-CYBMUJFWSA-N 283.346 4.790 30 10 CJEE Cc1ccc(C(=O)/C=C\Sc2nc3ccccc3o2)cc1 32220563 OTUGXZMXDBRYBG-KHPPLWFESA-N 295.363 4.625 30 10 CJEE O=C1/C(=C/c2cccs2)CS/C1=C\c1cccs1 33381027 VJPAJBJHTBITGS-SAJCGKLUSA-N 290.434 4.550 30 10 CJEE C[C@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 37334128 KTBAZRUOXFJDKB-GXFFZTMASA-N 283.293 4.535 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2ccc(C#N)cc2)cc1 57744110 IVSIKYIQALIFEJ-IBGZPJMESA-N 274.367 4.532 30 10 CJEE CCCCCCCOc1cc(CNCCC)ccc1OC 59178890 CNHCBADVBDCXII-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)OC)c1 59207916 YSNFMORPFHSKBP-CQSZACIVSA-N 277.408 4.634 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCCc2sccc21 61364105 ZFKUYIZEQLMJHD-AWEZNQCLSA-N 288.803 4.763 30 10 CJEE Cc1ccc2nc(S[C@@H](CC#N)c3ccccc3)[nH]c2c1 61440267 AHBXNODVZPXLJT-INIZCTEOSA-N 293.395 4.618 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(C)ccc2C)C1 87972476 NNVRUVBCYKPQRY-AEFFLSMTSA-N 255.405 4.956 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)CC[C@@H](C)CCS 94579667 CHHURPKHQAISHG-OLZOCXBDSA-N 285.884 4.679 30 10 CJEE SCC1(CN(Cc2ccco2)C2CC2)CCCCCC1 94581393 BPFKUXBTHMYRDW-UHFFFAOYSA-N 293.476 4.514 30 10 CJEE CC(C)(C)Oc1ccc(Nc2ccc(CC#N)cc2)cc1 96840782 RGQMKIDVBFZQMW-UHFFFAOYSA-N 280.371 4.674 30 10 CJEE CC1(C)CCCN1CCCCCCCCCS 97799301 ZOZVUURHBHUOPX-UHFFFAOYSA-N 257.487 4.521 30 10 CJEE CCCN(CCCCCCCCCS)CC1CC1 97799339 RDUFRIVZVUCNRP-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE C#CCCc1ccc(OCC(C)C)c(C(C)(C)C)c1 107593262 OJPDRUHIOBLRSY-UHFFFAOYSA-N 258.405 4.585 30 10 CJEE CCCCCCCCOc1ccccc1C[C@@H](N)CC 109763420 RVNWDFJYWYAAMV-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CCCCCCCOCc1cc(CNC(C)(C)C)oc1C 110170235 CBONZCCVYRUOJF-UHFFFAOYSA-N 295.467 4.963 30 10 CJEE C[C@@H]1CCC[C@@H](SCCCOc2cccc(C#N)c2)C1 110354852 DSMPVFBFQDVOOO-RHSMWYFYSA-N 289.444 4.639 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CCCO1)NCC 110462903 OOZIRCWRCCDMFF-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC(C)(C)c1cccc(Oc2ccc(F)cc2C#N)c1 111037138 WNTHQNJOBUDKPU-UHFFFAOYSA-N 269.319 4.787 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](C)OCC 113051681 POCZVNGPWIOGIY-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCN1C[C@@H](CC(C)C)NC[C@@H]1C(C)C 115234921 AWZNCLGDYPPQNU-RTBURBONSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCC(=O)c1cccc2c1OCCN2 126062033 FIDQPECZJWMGID-UHFFFAOYSA-N 289.419 4.814 30 10 CJEE C[C@H](CCc1ccccc1)Nc1cc(C#N)ccc1Cl 127808778 MIURMGSVJKHOJR-CYBMUJFWSA-N 284.790 4.645 30 10 CJEE C=CCCC[C@@H](NCCC)c1sccc1Cl 128870000 CQDWONBEYYEWEP-GFCCVEGCSA-N 257.830 4.799 30 10 CJEE CCCCCCC[C@H](N)c1ccc(Cl)cc1OC 158182863 YIJSRMULYYMZJS-AWEZNQCLSA-N 269.816 4.709 30 10 CJEE CCCCCCCCCCC[C@H](C=C(C)C)NN 158709553 PDXBYSHVHVZUFK-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE CCCCCCCCC[C@H](NCC)C1=CCCCO1 160353099 TYNJBAUXLJCRAM-INIZCTEOSA-N 267.457 4.800 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(F)c(C#N)c2)c2ccccc21 163761417 YUDGBHJOMMWPQK-KPZWWZAWSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCOc1ccccc1/C=C\C(=O)O 207652319 CGIDMGFXNFXMJC-YPKPFQOOSA-N 290.403 4.914 30 10 CJEE CCCCCCCCCCOc1cc(F)cc(CCN)c1 223614797 YFUHWELUJOQYLC-UHFFFAOYSA-N 295.442 4.846 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1cncs1 229220903 CNNXIYJOEJUZJB-OAHLLOKOSA-N 282.497 4.934 30 10 CJEE C#C[C@@H](CCC)N[C@H](CC)c1ccc(Cl)cc1Cl 229921033 PSNKNPRBFSCAPH-SWLSCSKDSA-N 284.230 4.836 30 10 CJEE C=CC[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]1CC=C 238804114 SMBXWHQNSUSVSJ-QLFBSQMISA-N 279.424 4.543 30 10 CJEE N#CCCc1cn(C2CCCCC2)c2ccccc12 260161537 WHLSXVLCGKPXFY-UHFFFAOYSA-N 252.361 4.603 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O 300257707 QFFNYRLVMFOJGD-ARFHVFGLSA-N 252.442 4.946 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](C)CSC 302303142 AJPGTEVRCCYKJN-LSDHHAIUSA-N 259.503 4.714 30 10 CJEE CC(C)C[C@H]1CCN(CC2(CS)CCCCCC2)C1 307770395 DPCWTOJTHMYZGS-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCCC(F)(F)C1 311160482 KIUMFCPGHDZJFV-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE CCC(C)(C)C1CCC2(CCC[C@@H](CC#N)O2)CC1 311991780 QBRFPDFCNWDOPE-CKDBGZEDSA-N 263.425 4.834 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CCCc1cccs1 312245617 SJDUWANOONEMQQ-MRXNPFEDSA-N 291.504 4.879 30 10 CJEE CCCN(CC(C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 312637077 ZILGSFCOXGCNFC-IXDOHACOSA-N 278.484 4.709 30 10 CJEE CCCCCCCCC[C@H](NC)C1(COC)CCCC1 312953210 MVZAFERJMOCUQT-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C=CCCC[C@]1(CNCC(C)C)CC[C@@H](CC)C1 318176859 NGLVOGSIKJBBSL-SJORKVTESA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)OC(C)C 384155321 URZXENGNWNARFK-INIZCTEOSA-N 271.489 4.919 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cc(Cl)cc2c1OCC2 384986747 KDOSTDBVNQLSFT-YVEFUNNKSA-N 289.806 4.537 30 10 CJEE Clc1ccccc1N=C1N[C@H](C2CCCCC2)CS1 386132341 FHXDLBBWNMRNBO-AWEZNQCLSA-N 294.851 4.613 30 10 CJEE CCCCCCCNCc1ccsc1Br 388462982 HJETYVPFYILPMM-UHFFFAOYSA-N 290.270 4.571 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2c(Cl)cccc21 398302190 JJKOWFBRTCIXIR-SNVBAGLBSA-N 280.824 4.896 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CCc1ccccc1 466264667 FQAALCHVUFTADT-IEBWSBKVSA-N 299.458 4.603 30 10 CJEE Cc1cc(C(F)(F)F)cc(OC(F)F)c1C(F)F 575664324 DSITXMPEKOAGFW-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC(C)(C)c1ccccc1 686667178 HVQUTDRDWRRTDQ-FUHWJXTLSA-N 271.448 4.689 30 10 CJEE C#CCCCCC[C@]1(O)CCCC[C@@H]1c1ccccc1 686678877 YOGXGRYZCWTHNO-MOPGFXCFSA-N 270.416 4.659 30 10 CJEE C#CCCCCC[C@@H](CSc1ccccc1Cl)NC 686682252 KVIXECWAYNJGDY-AWEZNQCLSA-N 295.879 4.604 30 10 CJEE C#CCCCCC[C@H](Cc1cccc(Cl)c1F)NCC 686699041 AOKNAQIQHYGAJU-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H](C)c2ccccn2)CC1 692881794 AGQPJYYJHGJVKA-HJOIGYKYSA-N 270.420 4.931 30 10 CJEE C[C@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C1CCC1 701308286 MHCZHHVSGXXOCO-ZANVPECISA-N 296.197 4.606 30 10 CJEE Cc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1C#N 701832492 VDSIDLYAZLNFDV-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@@H](CC)CC1 704039018 UEKBMALLYNCPMO-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=C[C@H](C)O[C@H]1CCCCCCCCCC[C@@H]1NCC 706075140 VBHHYPGNFYVNEQ-BZSNNMDCSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCCNc1ccnc(Cl)c1N 710570541 LKUPYRUNVGJNQT-UHFFFAOYSA-N 283.847 4.870 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)c(F)c(C)c1 710601713 HSZDOPBDVQGWQR-CQSZACIVSA-N 269.791 4.626 30 10 CJEE CCCCCCCCCCCC[C@@](C)(N)CCN(C)C 715209890 XXKNJBAIQTWJPK-GOSISDBHSA-N 284.532 4.967 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 715718238 FWWQAYXEBTUAOA-NOZJJQNGSA-N 291.744 4.832 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 721398449 RPNBJRVYJPONDN-DKNRTOFZSA-N 289.341 4.597 30 10 CJEE C=C1CCC(CNc2cc(C)c3ccccc3n2)CC1 724444496 CNXQRZZBBNEREJ-UHFFFAOYSA-N 266.388 4.702 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccncc2C)CC1 724554037 QYUCQBDVWZYKBO-GOSISDBHSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C2CC(F)(F)C2)CC1 724598549 BVTBUTKXZLYEAG-OAHLLOKOSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(C)(C)C(F)F)CC1 724608188 ULXQFKZLNZSUGF-AWEZNQCLSA-N 273.411 4.782 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(C)cc1 821217251 GGIJNFRAQDPSOR-VHEBQXMUSA-N 267.372 4.634 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C\c1ccc(Cl)cc1 1126325378 PVKDRLFEWDELTD-RAXLEYEMSA-N 291.822 4.558 30 10 CJEE C=CC(C)(C)CCNC(=O)c1csc2cc(C)ccc12 1131400462 BUUDBAFCPOUQIN-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[C@H](C)CC)C1 1165743872 KFIHUVMAYODYND-LMMKCTJWSA-N 299.458 4.631 30 10 CJEE C=CCn1c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc2ccccc21 1188053976 WBZASUHGWWWSMT-KFWWJZLASA-N 298.455 4.751 30 10 CJEE C=CC(C)(C)CNCc1ccc(Cl)c(C)c1Cl 1202436802 ZQWCSOSXUAMMTI-UHFFFAOYSA-N 272.219 4.604 30 10 CJEE C=CC[C@H]1CCCN(C/C=C\c2c(C)cc(C)cc2C)C1 1206597876 LLJWWDSIPWZQSY-KWEPMOPPSA-N 283.459 4.913 30 10 CJEE 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4.517 30 10 CJEE CCCCCCCC(=O)c1cc(C)cc(C)c1OC 2277944811 CEQRNVBWEOPTLD-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H]1CCCOC1 2278171019 ICEFXOQDDBTYFO-DLBZAZTESA-N 270.457 4.695 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1nc(C(C)(F)F)cs1 2278704412 SDHVVLCIPBSLPT-LLVKDONJSA-N 288.407 4.652 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@H]1C(C)=CCC[C@@H]1C 2284109448 MZMSRXGRXQOUAE-KSZLIROESA-N 273.464 4.563 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CC[C@@H](C)C1(C)C 2286848023 FVNVVPRIROHBOW-AEFFLSMTSA-N 282.516 4.575 30 10 CJEE C=CCCCS[C@H]1Cc2c(C)cccc2[C@@H]1NCCC 2287079208 KZCSWATZDSLZDH-ROUUACIJSA-N 289.488 4.660 30 10 CJEE Cc1cc(C#N)ccc1SCC1(C)CC(C(F)(F)F)C1 2287318544 UPWBFCPQAMIPAQ-UHFFFAOYSA-N 299.361 4.937 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc(OC(F)(F)F)c1 2287417235 DOTPMJYPYQJOFK-CQSZACIVSA-N 288.309 4.755 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1CNCCC 2287469514 HJMGSMPXRPHFOC-UHFFFAOYSA-N 295.854 4.965 30 10 CJEE CC(C)CCC[C@H](C)CCN1CC[C@H](C#N)CC12CC2 2288618734 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C=CC[C@](C)(CC)[C@H](NCC)c1cscc1CC 2321128703 VQLMVLYHTVMTHI-CVEARBPZSA-N 265.466 4.954 30 10 CJEE C[C@@H]1C[C@@H]1CCCCOC[C@@](C)(CS)C(C)(C)C 2327168442 PKNWKKVKSYVRRT-YCPHGPKFSA-N 272.498 4.812 30 10 CJEE CSc1cc(NCc2sccc2Cl)ccc1C#N 2328525425 JBTSBTPOYIHGCR-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cc(F)cc(Cl)c1 2335204139 RGYFZUXQSKDSSM-OAHLLOKOSA-N 299.842 4.733 30 10 CJEE C=CCC(CC=C)SCCC(=O)c1ccc(F)cc1 2335245938 RYOZMQQAKLITHF-UHFFFAOYSA-N 278.392 4.653 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(F)cc1Cl 2337093165 BHPUCWXFWBAONA-HSMVNMDESA-N 281.802 4.875 30 10 CJEE C=CCC(CC=C)n1ccc2c(OCC)cccc21 2338697296 WMFXCLKETJDIGI-UHFFFAOYSA-N 255.361 4.733 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343200685 BTWOFIBPCSUOAQ-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE CCCCCCCCC[C@@H](CC[C@@H]1C[C@H]1CC)NN 2343458459 NGGGWYNDURDMSS-ZACQAIPSSA-N 268.489 4.785 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]1(C)CCCC1(F)F)NCC 2344337033 NPJTXCIIXQEIJT-DZGCQCFKSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(CC)c1 2344338112 WUGAKASTYWEIJU-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)C1CC(C2CCC2)C1 2344344021 RBTHESIZXNTXPW-FOIPXRHGSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(F)ccc1C(F)F 2344410982 DGBJWEGEXBHQIS-HNNXBMFYSA-N 270.294 4.938 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)CCC[C@@H]1C 2352151044 XVNJRZKTWOEIQF-GOEBONIOSA-N 284.465 4.890 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1C#N 2353830450 LFGSDLKFQQQINI-SLEUVZQESA-N 274.433 4.517 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(F)cc1SC 2353834616 GHDOGXLHRZVNEK-HNNXBMFYSA-N 281.440 4.945 30 10 CJEE C[C@@H](CCS)CCN(C)C[C@@H]1C[C@H]1C1CCCCCC1 2357731667 NPPHTAWVINKORV-NJAFHUGGSA-N 297.552 4.871 30 10 CJEE C=CCCCCCCCCN[C@H]1[C@H]2CCCC(F)(F)[C@H]21 2358323623 SAOPIRWJYAHEFH-XHSDSOJGSA-N 285.422 4.927 30 10 CJEE C=CCC(CC=C)OCc1csc(CNCC(C)C)c1 2360217955 ABMPWOIQQAQWFJ-UHFFFAOYSA-N 293.476 4.531 30 10 CJEE C[C@@H](Nc1ccccc1C#N)C12CC3CC(CC(C3)C1)C2 21809193 WXNLJTCESSZZKR-PGBRGIIUSA-N 280.415 4.575 30 10 CJEE N#Cc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1 36842527 JNPJGKIJVXPTBI-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE C[C@@H](CNc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922144 QHMIALCBXLKPNP-HNNXBMFYSA-N 278.399 4.703 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 37345176 RGQCFLGHIUBCDQ-WFASDCNBSA-N 277.795 4.733 30 10 CJEE N#Cc1sc(-c2cccs2)c(-c2ccccc2)c1N 44273942 IWCQRKUOQVEZQI-UHFFFAOYSA-N 282.393 4.597 30 10 CJEE CCCC[C@H](CC)COCCCC[C@@](C)(C#N)NCCC 45324511 PPRSTTUUKHPOHS-ROUUACIJSA-N 296.499 4.672 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1c1ccccc1Br 62670614 ACTUECVMAVVEPY-NWDGAFQWSA-N 278.193 4.637 30 10 CJEE CCc1ccc(-c2cc(CC#N)c(C(C)C)o2)cc1 77078695 BFHMVPPATYJUOF-UHFFFAOYSA-N 253.345 4.698 30 10 CJEE CCCC1CCC(C#N)(C2(O)CCCCCC2)CC1 91876290 URGMUDRFLLXIRD-UHFFFAOYSA-N 263.425 4.572 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981776 AVFIOORYXWLSGR-BLLLJJGKSA-N 276.449 4.703 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 97417385 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4.519 30 10 CJEE C[C@@H](CCc1ccccc1)Nc1cc(C#N)ccc1Cl 127808522 MIURMGSVJKHOJR-ZDUSSCGKSA-N 284.790 4.645 30 10 CJEE CCCCCCCCN[C@@H](C)c1c(F)cccc1OC 129230515 DOWPOXMNELZMBY-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@H](CC1CCCC1)NN 130014412 IYECAJUEYFAQIV-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCc1ccc(Nc2cccc(SC)c2C#N)cc1 136613374 ROBHDQRESOMCAG-UHFFFAOYSA-N 268.385 4.586 30 10 CJEE CCCCCCCC[C@@H](NCCC)C1=CCCCO1 160276234 JAYPTRFZPMBHFB-MRXNPFEDSA-N 267.457 4.800 30 10 CJEE C=CC[C@@H](C)NCc1c(CCCC)oc2ccccc12 162636237 DSTAIEIPHFBEAI-CQSZACIVSA-N 271.404 4.830 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)CCCC(F)(F)F)CC1 163798695 IKWYOIBHTFYIPT-MOKVOYLWSA-N 291.357 4.580 30 10 CJEE C=C(C)CC[C@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164693871 ZGKHIMJUKSPDCF-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NC1CCCC1 191452795 FIIREYWDKWWIQY-UHFFFAOYSA-N 286.419 4.603 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218349032 MSGJUJQOXPMPKR-ONERCXAPSA-N 298.213 4.747 30 10 CJEE N#CCCCCCn1c2ccccc2c2ccccc21 224999739 XZTKGCCPEJAPBI-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 226974600 YLJSUQQRFNWLPR-SKDZVZGDSA-N 286.394 4.633 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc(Cl)c2F)C1 229262339 VKTVRVVCXJWZQF-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(C2(C#N)CCCCCCC2)C1 231020627 AGDKWZRYEPPNIY-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE C=C(C)CC[C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232394239 FPZPPCWTWYEFJQ-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CC(C)C1CCC(C#N)([C@]2(O)CC(C)(C)C[C@@H]2C)CC1 232543476 WXASIVMPWPAVTD-OBHHBEAMSA-N 277.452 4.530 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CSc2ccccc2O1 232933201 CDTMNQWUTWZIBR-ZBFHGGJFSA-N 294.460 4.651 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H](O)C(CC)CC 232950160 XMYLFMMXXKDMGQ-IAGOWNOFSA-N 272.473 4.675 30 10 CJEE C=CCCCCC[C@H](Cc1ccccc1Cl)NCC 233603240 HCERNRUUUSADDN-MRXNPFEDSA-N 279.855 4.997 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@H]1CCCN1 250822990 METQRINKOHJTAS-MOPGFXCFSA-N 294.527 4.734 30 10 CJEE CC(F)(F)Cc1ccccc1C1(C#N)CCCCC1 260733784 XZFVZUSJBCZXDQ-UHFFFAOYSA-N 263.331 4.610 30 10 CJEE CC(C)Sc1ccc([C@](C)(F)C#N)cc1Cl 260902933 RGOINCKLPGJYSZ-GFCCVEGCSA-N 257.761 4.549 30 10 CJEE C[C@H](CCC(C)(C)C)Nc1cc(C#N)ccc1Cl 302517369 OFVQPZCJMUZSCU-LLVKDONJSA-N 264.800 4.838 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 305897901 SDXMRBQDOAVCEY-CQSZACIVSA-N 284.230 4.694 30 10 CJEE C=CCCCCC[C@@H](O)C(C1CCC1)C1CCC1 306075973 GDTUXXGXFRIVRA-MRXNPFEDSA-N 250.426 4.700 30 10 CJEE CC[C@](C)(C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307897102 RXBOCADJLLHUIH-ZIAGYGMSSA-N 286.202 4.531 30 10 CJEE C[C@@H](C#N)c1cc(C(F)(F)F)cc(Cl)c1Cl 309383349 ZPUXGTZFCPJFHS-YFKPBYRVSA-N 268.065 4.639 30 10 CJEE CCC[C@H](CS)CSc1ccc2ccccc2n1 310709619 UBOCZTFUPQIUEY-GFCCVEGCSA-N 277.458 4.673 30 10 CJEE C=C([C@@H](NCCC)c1cccc(Cl)c1C)C(F)(F)F 311975226 LRTZEXVTXHVNSI-CYBMUJFWSA-N 291.744 4.808 30 10 CJEE N#C[C@@]1(NC2CCCCCC2)CCCC12CCCCC2 313043080 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C=C(COCCC)[C@H](NCCC)C1CCC(C)(C)CC1 387594508 UJTZABVARIGADQ-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE C=CCCCC[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 390800710 OMZUKHKNGHDLSK-HUUCEWRRSA-N 281.440 4.816 30 10 CJEE C[C@]1(c2cc(Cl)ccc2Cl)CCC[C@@H](CC#N)O1 394078243 FQOOSYAPQOQBQS-SMDDNHRTSA-N 284.186 4.691 30 10 CJEE CCC1CCC(N(C)C[C@H](C#N)C2CCCCC2)CC1 397150036 FKFUQILANCPQMS-NXYGQSRBSA-N 276.468 4.607 30 10 CJEE Cc1ccc(NC[C@@H](C#N)C2CCCCC2)cc1Cl 397157486 SFBRASYRRHJFDH-CQSZACIVSA-N 276.811 4.780 30 10 CJEE CC[C@@]1(C)CCN(CCCCCCCCCS)C1 399366280 IKABWLRZZTZTBT-INIZCTEOSA-N 271.514 4.769 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2CCCCC2(F)F)C1 400617621 HXVLXQBBRBATTK-GFCCVEGCSA-N 256.336 4.518 30 10 CJEE O=CC1(C[C@@H]2C[C@H]3C=C[C@H]2CC3)CCCCCCC1 402401824 PQUIQQGWWHVGDG-ULQDDVLXSA-N 260.421 4.908 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(C)cc2Cl)CC1 404501325 BKXOWCNGJIZEKT-PWZRNIHTSA-N 291.822 4.792 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H](C)c1ccccc1F 410394057 TYFFRPLIWBIPFS-AWEZNQCLSA-N 297.373 4.687 30 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N#Cc1ccc(Cl)cc1N[C@@H](C1CCCC1)C1CCC1 711836502 UCKIPOJVEKSBKP-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE C=C(C)CC(=O)c1c(Cl)cccc1C(F)(F)F 712539673 GOUUFDMOAMDIJV-UHFFFAOYSA-N 262.658 4.508 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714431932 VSAHCDYNGCFLMO-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(C)c(Br)c(C)c1 715727266 XRVCKPRTBMCDBQ-ZUZCIYMTSA-N 296.252 4.539 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)C[C@H](C)CO1 718548972 FTHKGPBJSPGMDD-DLBZAZTESA-N 269.473 4.530 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CCC[C@H]3O2)CCCCCCC1 720884323 OXLSHGCEVYNDFA-OWCLPIDISA-N 261.409 4.588 30 10 CJEE CCCCCCCCC[C@]1(O)CC[C@@H]2COCC[C@H]2C1 723631218 FTJPWCYHHSNRKE-KSZLIROESA-N 282.468 4.695 30 10 CJEE CCCCCCCCC1(C=O)C[C@@H](C)O[C@H](C)C1 724231490 XEMJWPUCZADKID-HUUCEWRRSA-N 254.414 4.510 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(CC)s2)CC1 724549864 QRSZKCWTEGSNAA-OAHLLOKOSA-N 263.450 4.708 30 10 CJEE Cc1cccc(N=C2N[C@H](C3CCCCC3)CCS2)c1 725090157 VPQMAYUKMXTQOU-INIZCTEOSA-N 288.460 4.658 30 10 CJEE C[C@@H]1CCC[C@H](/N=C2/N[C@@H](C3CCCCC3)CCS2)C1 725105891 RJBKUZJVMBERKA-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE CSc1cc(CC#N)c2ccsc2c1C(F)(F)F 725316524 ZSDAPBGXMFYKKL-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE Fc1ccc(Cl)cc1C#Cc1cccc(C(F)(F)F)c1 725413135 ZXKGHZKHFCMJLX-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE CCCCCCC[C@@H](NCc1ccn(C)n1)c1ccccc1 773133085 QCTIOPPCDIVTFC-LJQANCHMSA-N 299.462 4.612 30 10 CJEE Clc1ccc(Cl)c(NN=Cc2cccs2)c1 1084150505 HJHLLDFZJGAOEE-UHFFFAOYSA-N 271.172 4.501 30 10 CJEE CCCCCCCCCCNC(=O)c1sc(C)nc1C 1127028890 VMOQEVGLIDIHBT-UHFFFAOYSA-N 296.480 4.630 30 10 CJEE C=CCC1(NC[C@H](C)c2ccc(OC)cc2)CCCCC1 1175371967 PGMPXGPQUXEKMH-INIZCTEOSA-N 287.447 4.667 30 10 CJEE C=CCCCCC[C@@H](C)NCc1cccc2cc[nH]c12 1180905636 HPQSUPQQBWVBAK-OAHLLOKOSA-N 270.420 4.783 30 10 CJEE C=CCC[C@H](Nc1nc(CC)cs1)c1ccccc1 1185865154 JGWSIWGRCBFYOW-HNNXBMFYSA-N 272.417 4.825 30 10 CJEE CCCCCCCCCCN1CCC(C)(OC)CC1 1194616421 YLYWCIASINVBTB-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=CCC1(NC[C@H]2C(C)=CCC[C@@H]2C)CCCCC1 1205812482 JGGZWMVSTCUDJN-IRXDYDNUSA-N 261.453 4.847 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1nccs1 1258229005 LCZUQYLCEDYECU-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=C1CCC(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 1264851031 AQPYLDOUDLUPGA-SZMVWBNQSA-N 291.479 4.557 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCCC[C@H]2CCC)CCCCC1 1264951857 YZUIXTIFSQKVPO-SJORKVTESA-N 291.479 4.988 30 10 CJEE C=C[C@H]1CCCCN1C(=O)[C@@H](CC)CCCCCC 1270902988 FAMSEAKJPQJAJW-HOTGVXAUSA-N 265.441 4.550 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1nc2c(F)cccc2o1 1307112202 CVUGUZBOMSNXKB-UHFFFAOYSA-N 296.345 4.550 30 10 CJEE C=CCN(Cc1cc(Cl)cc(Cl)c1F)C(C)C 1307434345 BEUJDPFIDWTJPH-UHFFFAOYSA-N 276.182 4.529 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1cccc(Cl)c1Cl 1350953446 GPYOGTNCKZWRRI-VIFPVBQESA-N 273.159 4.501 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(OCCC(C)C)cc1 1361086537 OWDNVAZCDQAMCO-HNNXBMFYSA-N 289.419 4.652 30 10 CJEE C=C(CC)CNC1(c2cccc(Cl)c2)CCCC1 1473309564 NAPPXPWLBBNJMX-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE C=CC(C)(C)C(=O)Nc1nc(C2CCCCC2)c(C)s1 1526191789 VSUCGDJXTSNTIG-UHFFFAOYSA-N 292.448 4.650 30 10 CJEE C=C[C@H](CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1)c1ccccc1 1528790019 WPMMMEWFZXEGHT-BHIYHBOVSA-N 299.458 4.677 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 1530314009 FPQJDWXELUNBAS-HYVNUMGLSA-N 276.420 4.657 30 10 CJEE C=CC[C@H](CC)NC(=O)c1csc(C2CCCCC2)c1 1540090478 CSXQEMVGABMZDB-HNNXBMFYSA-N 291.460 4.880 30 10 CJEE C=CC[C@H]1N(C(=O)c2cscc2Cl)CCCC1(C)C 1542580034 UPMNPELUJAKZIV-CYBMUJFWSA-N 297.851 4.608 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(C(C)(F)F)cc1 1544263125 KKPFCQNXCGULPR-UHFFFAOYSA-N 295.373 4.665 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C)cc2OCCC)C1 1560372077 WVPOOWLYBQXQOU-FUHWJXTLSA-N 287.447 4.618 30 10 CJEE C=CC[C@H](CC)NCc1ccc(Cl)c(C(F)(F)F)c1 1560454850 PGMASARIEDPJCK-NSHDSACASA-N 291.744 4.803 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)NCCCCCCC(C)C 1563478392 ZBGOONBTINLBNO-KRWDZBQOSA-N 294.483 4.733 30 10 CJEE C=CC[C@@H](C)N1CCC(c2c(C)[nH]c3ccccc23)CC1 1615209275 QOODVPZSDZNUJI-CQSZACIVSA-N 282.431 4.620 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 1620697311 NMYJSJTVKPTIHF-HOCLYGCPSA-N 297.364 4.582 30 10 CJEE C=C(CC)CNCc1ccc(-c2ccc(Cl)cc2)o1 1620968609 CIFSOZXMYULEHC-UHFFFAOYSA-N 275.779 4.656 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1 1624131432 LRRRPYLUTAZBJM-HOCLYGCPSA-N 286.419 4.505 30 10 CJEE C=CCC[C@H](C)N[C@@H]1c2ccccc2CCC[C@H]1C 1652120228 JGFBKAPQLIIUFD-VKJFTORMSA-N 257.421 4.644 30 10 CJEE C#CCCCCCCNc1cccc(SCCC)n1 1652940575 LINAGLXRXBADHG-UHFFFAOYSA-N 276.449 4.579 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@@H](C(C)C)C1 1657933932 SACWDSZEZXJHQY-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@H](SC)C(C)(C)C 1658839452 FBDQCHYBPICAOX-LSDHHAIUSA-N 271.514 4.879 30 10 CJEE CC(C)Cc1ccc([C@H](C)[C@H](C)NCC2(CC#N)CC2)cc1 1659044376 CETXDWXFNISZLE-SJORKVTESA-N 298.474 4.661 30 10 CJEE C=CCCC1(CN[C@@H]2CCOC3(CCCC3)C2)CCCC1 1662862665 NSXPJJKXZUSMHX-QGZVFWFLSA-N 291.479 4.594 30 10 CJEE C=CC(C)(C)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 1664747084 SOSVJGVPJPDYPW-CHWSQXEVSA-N 265.828 4.634 30 10 CJEE C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)C=CCCC2 1673116956 BPCYVDNTUCXQDX-INIZCTEOSA-N 284.403 4.512 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)CCC(C)(C)C 1679408569 CZZPADAAUOAMMM-BZUAXINKSA-N 294.483 4.635 30 10 CJEE N#CCc1nc(-c2ccc(Cl)cc2Cl)ccc1Cl 1848377873 ZXBCBNILCVTSEX-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CSc1cccc(NC[C@H]2CC[C@H](C)CC2)c1C#N 1877960752 SMDUWINEADEYKI-JOCQHMNTSA-N 274.433 4.518 30 10 CJEE CCCC[C@@H](CC)N=C1N[C@H](C2CCCCC2)CS1 1879351529 WAYNNYNQEINFES-CABCVRRESA-N 282.497 4.597 30 10 CJEE CCCCCCCCN1C(=O)[C@@H]2CCCCCC[C@H]21 1883314416 SGWZTNZQYBINTC-HZPDHXFCSA-N 265.441 4.528 30 10 CJEE CC#CCCCCN(C)[C@H](C)[C@@H]1CCCC(C)(C)C1 1885368504 ADXOHDNUJWXPPU-IAGOWNOFSA-N 263.469 4.717 30 10 CJEE CCCCCCCCN(C)[C@@H]1CC(C)(C)OC1(C)C 1887041641 KMUVQBSEXSCJLW-OAHLLOKOSA-N 269.473 4.625 30 10 CJEE C#CC[C@H](C[C@@H](NC)c1cc2cscc2s1)C1CC1 1887489990 QYQJETKOCXCEIQ-TZMCWYRMSA-N 289.469 4.663 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C(C)(C)C(C)(C)C 1888673971 HWTFXEUNLPEWLK-INIZCTEOSA-N 259.437 4.750 30 10 CJEE C=C(c1ccccc1)[C@@]1(N)CCCC12CCCCC2 1888705376 KCKZGSSUARQUBY-SFHVURJKSA-N 255.405 4.532 30 10 CJEE CCCCCCCCC(=O)C[C@H]1C[C@]12CCCOC2 1896723695 JPSMKKIBXUYDKZ-RDJZCZTQSA-N 266.425 4.513 30 10 CJEE Cc1ccc(N[C@H](C)C(C(C)C)C(C)C)cc1C#N 1909664215 IDCMOWJVEQPQAK-CQSZACIVSA-N 258.409 4.595 30 10 CJEE C=CCC(C)(C)Nc1ccnc2cc(Cl)ccc12 1913959640 IUBZFSVFVALJOY-UHFFFAOYSA-N 260.768 4.655 30 10 CJEE CCCCCCCOC(C)(C)CCNCc1ccccc1 1915758616 SRTBSEARBGUEGE-UHFFFAOYSA-N 291.479 4.932 30 10 CJEE CCCCCCCCCCNCC[C@H]1OCC[C@@H]1C 1918120347 KQFFATLIUXXSMH-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CCCC1CCC1)NC 1920809313 FRIKUTUWGDEDNB-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCCC)c1cccs1 1920909570 KPECVFFGLCCTSX-SJORKVTESA-N 297.508 4.900 30 10 CJEE C=C([C@H](NCC)c1ccc(F)cc1Cl)[Si](C)(C)C 1922963435 SFQNXCKGRAXWDA-AWEZNQCLSA-N 285.866 4.563 30 10 CJEE CCCCCCCCCN[C@H](CO)CC1CCCCC1 1926718680 PBLDMBPMBKPTQT-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CC[C@H](CS)CN(Cc1ccccc1)CC1CCCC1 1931882026 OOLXNLRVEYGYFQ-INIZCTEOSA-N 291.504 4.635 30 10 CJEE C=CCCC[C@@H](O)c1cscc1OCc1ccccc1 1934837423 AINOBMXUTBPTOY-MRXNPFEDSA-N 288.412 4.717 30 10 CJEE CCCc1ccccc1COc1ccc(C#N)c(Cl)c1 1964747059 WIZDIHWGIZQANA-UHFFFAOYSA-N 285.774 4.743 30 10 CJEE CC(C)[C@H]1CCC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 1970317623 DFSNZTYLPAQNKG-IAGOWNOFSA-N 270.420 4.724 30 10 CJEE O=C(C=C1CCCC1)c1scc(Cl)c1Cl 1974521823 UBPWPYGUCGHCIZ-UHFFFAOYSA-N 261.173 4.738 30 10 CJEE CCC(C#N)(CC)Cc1cccc(C)c1Br 1978646455 YZUIPJCWCIWCTH-UHFFFAOYSA-N 280.209 4.630 30 10 CJEE C=CCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 1984558954 ATYHYMOIXPSCRS-ZDUSSCGKSA-N 259.176 4.773 30 10 CJEE CCC1=CC[C@H](Cc2cc(Cl)sc2Cl)C1=O 1990735180 BERWUTNURNNOPB-MRVPVSSYSA-N 275.200 4.523 30 10 CJEE C=C(Cl)C[C@@H](O)c1cc(-c2cccs2)cs1 1991136900 PYYNDDFRYBYTJS-SNVBAGLBSA-N 270.806 4.653 30 10 CJEE 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298.414 4.718 30 10 CJEE Cc1cccc(C#N)c1N[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2354142158 WULHDZJDBBNJEC-XYJFISCASA-N 268.404 4.638 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358665528 HQYWLFOJWMQCGL-LVQVYYBASA-N 286.406 4.945 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2OC 2358948707 ZQXBLYLGNMZPEE-NNPSNHGLSA-N 281.484 4.529 30 10 CJEE CCCCCCCCCCCC[C@]1(O)C[C@@H]2CO[C@H]1C2 2359534917 WREDONIHLQALSM-SQNIBIBYSA-N 282.468 4.837 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@@H](NC)c1ccc(C)cc1 2360336146 HSMWPHLDIHFSGT-CRAIPNDOSA-N 289.488 4.898 30 10 CJEE N#Cc1ccc(Nc2cccc3ccccc23)c(F)c1 36886450 ZXUPREOZUCDWDH-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE Cc1ccc(C)c(Sc2c(C#N)cnc3ccccc23)c1 36913501 QBVRSPGLEPLKGD-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(CC#N)cc2)c(C)c1 37071448 AKWGVKVGAIHUQG-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 37936708 UMYLTPDGGYZHLR-SFHVURJKSA-N 278.399 4.969 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccccc2C(F)(F)F)c1 37936813 IEXNLAGLGVAHEA-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1cccc(Oc2ccccc2)c1 54826299 QSFOTDBVIGAPHE-KBXCAEBGSA-N 278.355 4.583 30 10 CJEE C[C@@H](N[C@H](CC#N)c1ccccc1)c1ccccc1Cl 55018174 MKIYMGIEAZYQQL-CXAGYDPISA-N 284.790 4.646 30 10 CJEE Cc1cccc(OCC[C@@](C)(C#N)c2ccccc2)c1C 57687626 VQXXEAWTGQURFI-IBGZPJMESA-N 279.383 4.554 30 10 CJEE C[C@H](C#N)Cc1ccc2cc(Oc3ccccc3)ccc2n1 62704509 PPZOMPVKHAZPFU-AWEZNQCLSA-N 288.350 4.729 30 10 CJEE CCCOc1ccccc1-c1cc(CC#N)c(CC)s1 77096895 CLCUPEOEIJKTCS-UHFFFAOYSA-N 285.412 4.832 30 10 CJEE SCc1sc(-c2ccccc2Cl)nc1C1CC1 82435506 UJYAXEQWOYBCMA-UHFFFAOYSA-N 281.833 4.771 30 10 CJEE Cc1cc(Cl)cc2c(CC#N)cc(C(C)(C)C)nc12 82468523 IXSUMNPEHAUGGM-UHFFFAOYSA-N 272.779 4.560 30 10 CJEE CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 86941826 YUVCNTRNXADADW-VDZJLULYSA-N 284.447 4.814 30 10 CJEE CC(C)(C#N)CCOc1ccc(Cc2ccccc2)cc1 87596149 SDYNZEQLNNXICC-UHFFFAOYSA-N 279.383 4.596 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCc3ccccc3C2)cc1C 87998177 LRAFHGWTYQWQDJ-HXUWFJFHSA-N 275.395 4.545 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccccc1Cl 109732282 UFNQPILDINGYAB-CQSZACIVSA-N 253.817 4.570 30 10 CJEE CC(C)CCC[C@H](C)Nc1cc(Cl)ccc1C#N 110255742 XFGHZZGSNVCZAX-LBPRGKRZSA-N 264.800 4.838 30 10 CJEE CCC1(CC)CCN(c2cccc(Cl)c2C#N)CC1 110258741 QVTMZSOBORSTNB-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE CCCC1CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265392 FZNXRAIBDPTBOX-SQNIBIBYSA-N 290.495 4.853 30 10 CJEE Cc1ccc(Sc2ccc(C#N)c(Cl)c2)c(C)c1 110354074 LSBLPFVHRNCCQG-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE C[C@H]1CCC[C@@H](Sc2cc(Cl)ccc2C#N)C1 110354439 PHHCYWQWQKKUCX-GXFFZTMASA-N 265.809 4.882 30 10 CJEE CCCCCCCCC[C@H](C(=O)O)c1ccccc1 111875774 MFFBRYVNFNFSMY-INIZCTEOSA-N 262.393 4.996 30 10 CJEE CCCCCCCCC[C@H](Cc1ccncc1)NCC 112897246 DHRUTLYLFYVRCB-GOSISDBHSA-N 276.468 4.743 30 10 CJEE CCCCCCCCCCCCNn1cccc1 118234854 OUZKMTUNDQFLOV-UHFFFAOYSA-N 250.430 4.953 30 10 CJEE CCCCCCC[C@H](O)C1(C#N)CCCCCC1 118274099 NLRGIQYFHNZPGI-HNNXBMFYSA-N 251.414 4.572 30 10 CJEE CCCCCCCOC[C@@H]1Cc2ccccc2S1 118642871 CZTFTLFDOSYACN-HNNXBMFYSA-N 264.434 4.690 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)cc1F 123442089 QDPUUOPHGVGAQZ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ncccc1F 124172083 IZPDXPWVNYCEFH-OAHLLOKOSA-N 266.404 4.622 30 10 CJEE CSc1cccc(OC2CCC(C)(C)CC2)c1C#N 125269355 PUYUGRYKKRZQSK-UHFFFAOYSA-N 275.417 4.628 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1Cc2ccccc2O1 125961978 HSNGKNHNGSGGFY-SFHVURJKSA-N 274.404 4.700 30 10 CJEE CCCCCCCCO[C@H](C)[C@H](N)c1ccc(F)cc1 140788313 IVEBLPWIGNPYAU-PBHICJAKSA-N 281.415 4.591 30 10 CJEE CCCCCCCC(=O)c1ncc(Cl)cc1Cl 157896579 LQTWFLLZFAPPMH-UHFFFAOYSA-N 274.191 4.932 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(OC)cc(OC)c1 157945554 LKKHEQXQVLHAAH-GOSISDBHSA-N 293.451 4.844 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CO[C@H](C)C1 165078972 MILOYAXLRINSCX-CABCVRRESA-N 254.414 4.511 30 10 CJEE N#C[C@H](Sc1cccc(F)c1)C1CCCCCC1 167875572 YLOFNARVXAHAKJ-HNNXBMFYSA-N 263.381 4.780 30 10 CJEE C=CCCCC[C@@H](CNC(C)(C)C)c1ccccc1 211904933 ZUCZOHQKYXLUES-KRWDZBQOSA-N 259.437 4.905 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C)c1ccc(Cl)cc1 221027938 JRFMTGBQSZXGKM-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CNC[C@@H]1C 226377626 STISGECLDRWOOR-DLBZAZTESA-N 281.484 4.722 30 10 CJEE C=CCCCCC[C@H](NC)c1ccccc1Br 234442155 UWPSRRAJEPZTFP-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE Cc1cccc(N[C@H](C)c2ccccc2Cl)c1C#N 235253563 WGWBTAVOVOETRP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCOc1cccc(C=Nc2cccc3ccccc23)c1 254510077 VRXJUXJISHAFPC-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE CCCC(CCC)/C(=N\C1CCCCC1)C(OC)OC 256397345 XPFJLTUXZBMPBK-FBMGVBCBSA-N 283.456 4.595 30 10 CJEE CC[C@@H](C)OCC1(C#N)CCC(C(C)(C)C)CC1 311220971 UWCXXASDQJSLMA-VQCLRJIVSA-N 251.414 4.548 30 10 CJEE N#CC1([C@H]2CCOC3(CCCCC3)C2)CCCCC1 311347580 CQNVDHUKYQGCGI-HNNXBMFYSA-N 261.409 4.590 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)C2CCCCCCC2)C1 312168100 WGIKMBSYYULTBZ-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@]2(O)CCCC23CCCCC3)C1 312997339 UFJDPLOKGIDDJP-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCC[C@H](NC)c1c(Cl)cccc1OC 315703831 FDFCQJSYLSJDOR-AWEZNQCLSA-N 283.843 4.970 30 10 CJEE CCCNCC1(CC#CC(C)(C)C)CCCCCC1 317326359 JWPNELRMJWBSHK-UHFFFAOYSA-N 263.469 4.766 30 10 CJEE CC1(C)CC[C@@H](CC2(C=O)CCC(C(C)(C)C)CC2)O1 317577144 MQZQSVMAERGVLT-CSLYMUCUSA-N 280.452 4.756 30 10 CJEE CCCCCCCCCOc1cccc(CCN)c1Cl 328258454 UPUSKPRBVGYQSH-UHFFFAOYSA-N 297.870 4.971 30 10 CJEE CCCCCCC[C@@H](N)C[C@H]1CCCC(F)(F)C1 380009631 GKRORTGQXAUBCH-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C=CC(C)(C)CNC1c2ccccc2-c2ccccc21 384837104 HELAMFQZBWDPKZ-UHFFFAOYSA-N 263.384 4.558 30 10 CJEE CCCCCCCCC[C@@H](CCN1CCCCC1)NC 395816289 MFMHOVWGHKFPQB-SFHVURJKSA-N 282.516 4.591 30 10 CJEE N#CCc1csc2cc(C(F)F)c(Cl)cc12 396192811 RJDVHIZRGUFVQO-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H]1CCCCC1(F)F 400524633 QHABMPXVMPMFMT-HUUCEWRRSA-N 273.411 4.640 30 10 CJEE C=C(C)CON[C@H](CC)c1ccc(Cl)c(Cl)c1 400894083 CPJTUWUJQQQEDC-CYBMUJFWSA-N 274.191 4.542 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc2[nH]ccc2s1 410348808 BBTBJMJMSONPRJ-UHFFFAOYSA-N 296.395 4.600 30 10 CJEE CC(C)(C)c1ccc2[nH]cc(C(C)(C)CC#N)c2c1 527396419 SSTZXIAFQCIRTH-UHFFFAOYSA-N 254.377 4.657 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(Cl)o1 686687838 YUXODXSZULALHP-CYBMUJFWSA-N 267.800 4.557 30 10 CJEE CC[C@@H](/N=C1/NC2(CCCC2)CCS1)c1cccs1 687324241 ZZVXOSNUOBKGFH-GFCCVEGCSA-N 294.489 4.595 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)C1CCC(F)(F)CC1 690833368 WGMKBKMICLOJCH-JTQLQIEISA-N 298.764 4.838 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1cccc(C)c1 691077612 OYPBGNBZFRAUCP-WBVHZDCISA-N 256.393 4.660 30 10 CJEE CCCCCCCCC(=O)Cc1sc(C)nc1C 691369328 YHLBBESLJLQBRW-UHFFFAOYSA-N 267.438 4.622 30 10 CJEE C=CC[C@H](NCCC)c1ccc(C)c(C(F)(F)F)c1 693444567 HXYPAHQFKNJUBD-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE C=C(C)CCC(=O)c1cc(C(F)(F)F)ccc1Cl 695114010 GMISGAOEDPCPRC-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE Cc1ccsc1[C@H](C)Nc1ccc(Cl)cc1C#N 695665626 FLUAXTNRIPHNCD-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(CCC)CCCNC1 696350345 XIKPFCKKMPQGLY-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCSc1cccc(NC[C@H]2C[C@H]2C(C)(C)C)c1C#N 699869058 UZARUTTXWKGJLQ-TZMCWYRMSA-N 288.460 4.764 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1cccc(Br)c1 701919815 LRELCOBPCSJTPQ-LBPRGKRZSA-N 296.252 4.702 30 10 CJEE C=CCCC(C)(C)CNCC(C)(C)C(F)(F)CC 704033403 XDPGLDNGSGOPAU-UHFFFAOYSA-N 261.400 4.640 30 10 CJEE N#Cc1ccc(N2CC[C@H](C3CCCCC3)C2)c(Cl)c1 708816408 UQGVEBDLVCKECH-HNNXBMFYSA-N 288.822 4.618 30 10 CJEE C=C(Cl)CC1(CNC)CC(C)(C)CC(C)(C)C1 710679565 AKVRVIJGZRTEQC-UHFFFAOYSA-N 257.849 4.571 30 10 CJEE C=C(Cl)CC(=O)c1cc(C(F)(F)F)ccc1Cl 710684516 FJERAGITGLTVGU-UHFFFAOYSA-N 283.076 4.684 30 10 CJEE CSC(C)(C)CN(C)CCCCCCCCCS 713894562 XHMKIGIDGZXDHJ-UHFFFAOYSA-N 291.570 4.720 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1C[C@@H]1C1CC1)NN 714816454 ZTGYWDURFFONAL-KZNAEPCWSA-N 280.500 4.785 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1(OCC)CCC(C)(C)CC1 715751733 DCNUPSRKQUAPKZ-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)cc1F 715795932 DXNTWETUAUILNJ-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE CCCCCCCCCN[C@H](C)c1ccns1 716053808 IUKCNBDBYLTSQA-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1scnc1Cl 721974802 HBNGOARRJOBRMP-GFCCVEGCSA-N 289.872 4.841 30 10 CJEE C=C1CCC(CNc2ccc(Br)c(F)c2)CC1 724554160 UPUKEHHTMHTGNB-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(OCCC)c2)CC1 724558850 FNDAVCXDDQGGEQ-SFHVURJKSA-N 274.404 4.645 30 10 CJEE C=C1CCC(C[C@@]2(CNCCC)CC[C@@H](C)C2)CC1 724602640 LZSWRGLIMALYPB-SJLPKXTDSA-N 263.469 4.929 30 10 CJEE CCCCCCC/N=C1/N[C@@H](C2CCCC2)CCS1 725100767 QOKMGAFTOBBQKC-OAHLLOKOSA-N 282.497 4.598 30 10 CJEE C=CCc1ccccc1OC(=O)c1cccc(C(F)F)c1 729186310 FMZYTFYTKFVFCV-UHFFFAOYSA-N 288.293 4.572 30 10 CJEE C#CCCCSCc1ncc(-c2ccc(Cl)cc2)o1 766737545 JWLUCSZEQJPODL-UHFFFAOYSA-N 291.803 4.642 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2C)C2CC2)cc1C 821227529 WSNQUOJFTRGONU-QZQOTICOSA-N 293.410 4.943 30 10 CJEE C#CCCCCCCN(CCC)Cc1ccc(F)cc1F 1167237445 GFQZKEVJYVFQNM-UHFFFAOYSA-N 293.401 4.761 30 10 CJEE C#CCC1(NCc2ccc(C(F)F)c(F)c2)CCCCC1 1179662667 RBVMHRZGKSPBAI-UHFFFAOYSA-N 295.348 4.579 30 10 CJEE C=C[C@H](CC(=O)NC[C@@H]1CCCC[C@H]1CC)c1ccccc1 1274304265 PCVCDVQCYBQFIH-LMMKCTJWSA-N 299.458 4.679 30 10 CJEE C#CCCCCCC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1289125375 VETVFZHLGBSTCX-HNNXBMFYSA-N 297.442 4.994 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(Cl)cc1Cl 1290085112 OHCMNNKKYCOSDG-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CCN(C)Cc1cccc(SCc2ccccc2)c1 1307700459 NITOJXCGZCPZKM-UHFFFAOYSA-N 283.440 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC)cc1Cl 1308462066 KQRKJEHRYFYVAF-CXAGYDPISA-N 293.838 4.573 30 10 CJEE C=CCC[C@H](CC)N[C@H](CCc1ccccc1)C(F)(F)F 1308643595 WBOMKYJNFRBHFA-JKSUJKDBSA-N 299.380 4.885 30 10 CJEE C=C(C)C(C)(C)C(=O)N(Cc1cccc(C)c1)CC(C)C 1352796300 SAERSHVPPCJBPT-UHFFFAOYSA-N 287.447 4.582 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)c1oc2c(C)ccc(C)c2c1C 1436095123 KNLJDIKIIOLKLR-OAHLLOKOSA-N 297.398 4.539 30 10 CJEE C=C[C@H](CC(=O)NCC1C[C@H](C)C[C@@H](C)C1)c1ccccc1 1461449589 AIDKZZUQUPRHLW-JFIYKMOQSA-N 299.458 4.535 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(C(C)(C)C)c(F)c1 1462541233 PUJLUTIWXLHNPV-GFCCVEGCSA-N 277.383 4.664 30 10 CJEE C=C/C=C\CCNC(=O)N[C@H](CCCC=C)c1ccccc1 1471202935 DZVCJQFYRGOVKV-LZCIBIBXSA-N 298.430 4.516 30 10 CJEE C#CCCCCCCN[C@H]1CCCC[C@H]1C(C)(C)C 1473280442 YPZZDAFJHKUVQY-SJORKVTESA-N 263.469 4.765 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)C1CCC(CC)CC1 1479217284 NWRSBQUNKJRBGZ-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=CCCCCCN(C)C(=O)CC1CCCCCC1 1522843185 RKPHJVYAKPOZHV-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)CCCC1 1527642352 CNMYJGUBYOKNIP-HOTGVXAUSA-N 291.479 4.796 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cc1 1535379939 MAOOUMHWEQWSIZ-NSHDSACASA-N 266.768 4.547 30 10 CJEE CCOc1ccccc1C#Cc1ccc(Cl)cc1Cl 1614750620 QUCJACNDXJHJPE-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE CSc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614755444 HHCPTVKURVAEAI-UHFFFAOYSA-N 292.325 4.827 30 10 CJEE O=C1C(O)=C(CCCCCCC2CC2)C(=O)c2ccccc21 1614949742 JVUOCUSFKVDILS-UHFFFAOYSA-N 298.382 4.628 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1Nc1ccccc1 1632424066 SYSICODLAXTEEY-HNNXBMFYSA-N 294.398 4.971 30 10 CJEE C#C[C@H]1CC[C@H](Nc2nc3c(C)c(C)ccc3s2)CC1 1640358622 CLXNTDBHDKBKCP-HDJSIYSDSA-N 284.428 4.517 30 10 CJEE C=C(C)CN[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 1642425005 MBQDDHUUBVYOSI-GOSISDBHSA-N 291.866 4.997 30 10 CJEE C#CCCCCCCN[C@@](C)(CC)c1ccc(F)cc1 1644113518 YDMVIFLQRPIAEL-SFHVURJKSA-N 275.411 4.624 30 10 CJEE C#CCCS[C@@H](C)c1cccc(C(F)(F)F)c1 1644115438 ZLJBRYJYXDYYDV-JTQLQIEISA-N 258.308 4.523 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CCC[C@H](C2CCOCC2)C1 1651413003 JOBMFHDSLYNTSW-ZWKOTPCHSA-N 293.495 4.554 30 10 CJEE C#CCCCCCCN(c1ccccc1C)C(C)C 1652839479 RPNQUFKNQUWFGF-UHFFFAOYSA-N 257.421 4.794 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(F)c2ccccc12 1654618198 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261.453 4.519 30 10 CJEE CCCCCC#CC[C@H](CCC1(C)CC1)NCCC 2138999019 CQYIILDEMQXHLL-QGZVFWFLSA-N 263.469 4.909 30 10 CJEE CCCCCC#CCOc1cc(Cl)ccc1C(C)=O 2139051349 FMYLMZFIBOXBMJ-UHFFFAOYSA-N 278.779 4.505 30 10 CJEE CC1(C)C[C@H](Oc2cc(Cl)c(F)cc2C#N)C1(C)C 2140334762 WRKKGKIOIBPWPR-ZDUSSCGKSA-N 281.758 4.554 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(OC)CCC[C@@H](C)C1 2141919485 QJWQEFUCXRBQLY-NVXWUHKLSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCC[C@]1(N)CCCOCC1 2142435403 PEIWNGYZCWKDTL-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1C[C@@H]1C(F)F 2142441929 PPJDIPMKWFPVJN-KKUMJFAQSA-N 273.411 4.912 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ccnc(C)c1 2142446552 PHRSIZQWMBZOCC-KRWDZBQOSA-N 261.409 4.730 30 10 CJEE CCCCCCCCCCN1C[C@@H](NCC)C[C@@H]1CC 2145087953 KAMSOZKAVBPKLB-ROUUACIJSA-N 282.516 4.590 30 10 CJEE CSc1cccc(N(C)CC2(CC(C)C)CC2)c1C#N 2146810452 HUTUOLBXKLHWJD-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCCC(F)F)NCCC 2148448152 BDJWEQQAXGYNMT-GJZGRUSLSA-N 293.442 4.511 30 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C=CC1(C[C@@H](NCC)[C@@H]2CSc3ccccc32)CCC1 2168027546 FKEHYLXSWWAGPH-HZPDHXFCSA-N 287.472 4.600 30 10 CJEE CCC[C@]1(C)CSC(=N[C@H](C)[C@@H]2CCCC(C)(C)C2)N1 2168623299 HPSCSXBSUUOMCB-CKEIUWERSA-N 296.524 4.843 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H](O)c2ccccc2C)C1 2169657717 WXBKTTFYAUKZSH-NXHRZFHOSA-N 271.404 4.529 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2170860326 IFMZGVZMLRKZQL-VGWMRTNUSA-N 285.422 4.782 30 10 CJEE CCC1(CC)CCCN([C@@H]2C[C@H](C)CC[C@@H]2C#N)CC1 2171394816 OMPHWUYIYGJYCH-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(C)c(C)c1OC 2173116009 QCTBTCHNOBLIFI-QGZVFWFLSA-N 275.436 4.709 30 10 CJEE CCCCCCCCO[C@H]1CCCC2(CC2)[C@H]1NCC 2173558981 IRSUOYZAJSSHSF-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@H]1CCOC2(CCCC2)C1 2173636570 UQZZFRKWUOKZQG-YJBOKZPZSA-N 275.436 4.836 30 10 CJEE C=C(COCCC)[C@H](NCCC)C1(C)CCC(C)CC1 2176618717 KJFXWIVMPMPGTE-NXYGQSRBSA-N 281.484 4.554 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@@H]2CCC[C@@H]2C(F)(F)F)CC1 2181648959 XNHODGCTKWIKKD-BNOWGMLFSA-N 288.353 4.917 30 10 CJEE CC(C)[C@H](C#N)CNC1CCC2(CCCCCC2)CC1 2185823010 OFGGGKOLPDHQKI-MRXNPFEDSA-N 276.468 4.655 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cnc(C)nc1 2186683978 NQXUDBHODFWIAE-QGZVFWFLSA-N 277.456 4.706 30 10 CJEE CCCCCCCCCCCCN[C@]12CCOC[C@H]1C2 2194416133 INZOTIGFDDRSRW-MSOLQXFVSA-N 281.484 4.676 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Cl)cc1C)C1CC1 2196843769 WXQUVCTWJJGVBH-MAUKXSAKSA-N 289.850 4.739 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H](C)C1CCCCC1 2197141184 ZWHBLSANTZTWRH-QFBILLFUSA-N 271.448 4.894 30 10 CJEE C=C(c1ccccc1)[C@@](C)(N)c1ccc(Cl)c(F)c1F 2197143120 XQIVKXXZDDJDBP-MRXNPFEDSA-N 293.744 4.506 30 10 CJEE C=CCC1(Nc2ncccc2[C@H](F)C(F)(F)F)CCC1 2199312253 DNUVDVBMMJMSGI-NSHDSACASA-N 288.288 4.565 30 10 CJEE C#CCCN(C[C@H]1C[C@@H]1C1CCCCC1)CC(C)(C)C 2200249233 CDNZRKAQHSNRSS-QZTJIDSGSA-N 275.480 4.574 30 10 CJEE C=C1CC(CNC2CC2)(C[C@H]2C[C@H]2C2CCCCC2)C1 2200337006 CVTPOJXOTBTTBB-AEFFLSMTSA-N 273.464 4.681 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@]23CCC[C@H]2CSC3)CCC1 2201863246 QQDQLNRGGXSIOT-XYJFISCASA-N 293.520 4.634 30 10 CJEE CC1(C)CCC[C@H](C[C@]2(C#N)CCOC23CCCC3)C1 2203202008 FAXLJXPVJWQJTB-RDJZCZTQSA-N 275.436 4.836 30 10 CJEE C=CCCCCCC[C@H](O)c1cccc(OCCF)c1 2206903432 RZCSBMGNQUXJDX-KRWDZBQOSA-N 280.383 4.595 30 10 CJEE C=CCCCCCCCCCN(C)CC1(COC)CC1 2207383779 DFSCRKUZMFVBJO-UHFFFAOYSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCC[C@@H](NCC)[C@@H](O)CCC 2207407042 AUMWEHBRMWDAME-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCNC[C@@H]1CCC[C@@H](OC)C1 2207407853 GWGBBSHZSDWMAD-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)c1ccccc1 2207411831 DUSXINJPSOBTCP-GOSISDBHSA-N 274.404 4.596 30 10 CJEE C=CCCCCCCCCCN1CC[C@@H](CN=[N+]=[N-])C1 2207428754 ZZCJBYCBNFEWJR-INIZCTEOSA-N 278.444 4.925 30 10 CJEE C=CC[C@H](C)c1ccc(Br)cc1Cl 2209367439 NGKZNKOHANPZGT-QMMMGPOBSA-N 259.574 4.782 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1 2219206379 MXLLZUYMACIYAT-DGCLKSJQSA-N 284.230 4.692 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)[C@H]1CC[C@H](CCC)CC1 2222295750 RLWHXXSIHKDBSH-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=C[C@H](CCCCC)Oc1ccc(Cl)cc1C#N 2223224521 XSIQGXHGONIHPH-CQSZACIVSA-N 263.768 4.725 30 10 CJEE CCCCCCCCCO[C@H]1CC(=O)[C@@]1(C)CC 2223244310 YHARLJJLVLKPIT-JKSUJKDBSA-N 254.414 4.511 30 10 CJEE CCCCCCCCCO[C@H]1CC[C@H](C)C(=O)C1 2223265426 LDKRGLFEMBTAGK-GJZGRUSLSA-N 254.414 4.511 30 10 CJEE C=CCCCCc1ccc([C@H](C)NCC)c(Cl)c1 2223725287 PVCFBRKUXKBGQB-ZDUSSCGKSA-N 265.828 4.909 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225319990 YGQXQAJYGNDUMJ-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2225323085 ZSMQSKJCGHHCTJ-FQUUOJAGSA-N 291.813 4.569 30 10 CJEE C=CCCCCCCCCOCc1cccnc1F 2225679209 NRCSLTSAXYZHEP-UHFFFAOYSA-N 265.372 4.654 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCC[C@H](C)O1 2226889574 XYFYUXQQQLPGRX-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCC=C1CCC2(CCNCC2)C1 2227273208 GVCZEWGBWOLHSC-UHFFFAOYSA-N 261.453 4.993 30 10 CJEE C=C1CC([C@H](C[C@@H]2CC[C@@H]3CCCC[C@H]3C2)NC)C1 2230707463 ZLQWRVPBKAJGHG-CVYDXHPNSA-N 261.453 4.537 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)C(C)(C)C 2231846383 NCYWTEWJUQUYKR-KRWDZBQOSA-N 270.505 4.575 30 10 CJEE O=C(C=C1CCCCC1)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233603372 CBNIAJBSFMYVQB-QDMKHBRRSA-N 282.374 4.908 30 10 CJEE CCCN[C@H](C#CP(C)(C)=O)[C@H]1CCC[C@H](CC)CC1 2233800854 YSFCSVUVGCFXRB-YESZJQIVSA-N 297.423 4.545 30 10 CJEE C=CCCCCCCC[C@]1(CNCCOC)CC1(C)C 2235523628 HRLCDMZYNGZZLQ-GOSISDBHSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCC[C@@H](CC1CC(OCC)C1)NC 2235524394 PNZRUROHSQVGGY-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H](O)C1(CCC)CCC1 2235537628 DITXZZBOAOJUCF-SJORKVTESA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)C1(C)CCCC1 2235537939 FWPIEZSTXGBHJP-SFHVURJKSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1cc(F)ccc1Cl 2235538273 HKEMCQMXEINOJV-MRXNPFEDSA-N 298.833 4.900 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC[C@H](C)[C@@H](NCCC)C1 2239502113 NUIVMXGBTUOJOA-MLHJIOFPSA-N 281.484 4.695 30 10 CJEE CCCCCCCCCCCOC[C@H]1CCNC1(C)C 2239546739 AIUUMBVSLRRHJI-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCc1ccc(C#CC(=O)C(C)(C)C(C)(C)C)cc1 2239755628 RVICYYYETXWBLW-UHFFFAOYSA-N 270.416 4.632 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@H]1Cc2ccccc2S1 2240149487 HIPZXBMDNJYTAI-ZOBUZTSGSA-N 289.488 4.674 30 10 CJEE C=C1CC(C[C@@H](NCC)c2ccc(C3CCC3)cc2)C1 2240365137 YAKXFJGJDZQNHI-LJQANCHMSA-N 269.432 4.961 30 10 CJEE CC(C)(C)C1CC([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2242248709 NQTPRHKDVOAUSR-PQAZSJQKSA-N 278.245 4.541 30 10 CJEE C=C(C)CCCCN(C)Cc1csc(C)c1C 2250144520 CVNWSYPHDGPRLK-UHFFFAOYSA-N 251.439 4.543 30 10 CJEE N#Cc1cc(F)c(Cl)cc1SCC1=CCCC1 2253304083 VIPAHDFYOCNMKI-UHFFFAOYSA-N 267.756 4.553 30 10 CJEE C=C(C)CCCC[C@](C)(N)c1ccc(Cl)c(F)c1 2259176835 RJMLCHFFPZTCNQ-HNNXBMFYSA-N 269.791 4.790 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CCCC[C@@H]1C 2259236504 CVGVOHMCQHRWFF-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@@H](N)Cc1cccc(Cl)c1Cl 2259239262 MELDFKNDNAEGSE-CYBMUJFWSA-N 286.246 5.000 30 10 CJEE C=CCCCCCCCCN[C@H]1CCC[C@H]1CF 2260468925 ISKJBHWOMOYLSK-HOTGVXAUSA-N 255.421 4.631 30 10 CJEE C=CCCCCC[C@@H](N)C1CC(CC(C)(C)C)C1 2261198101 SXRIFEDQCVHQHS-UYSNPLJNSA-N 251.458 4.913 30 10 CJEE Cc1cc(Nc2ccc(C#N)cc2)c(Cl)cc1Cl 2263200749 ACGXZAIMVJNVGS-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C[C@@H]1CCC[C@H](CN(C)CCCCCCCS)C1 2263210381 FPXMTKYXTLNXLQ-CVEARBPZSA-N 271.514 4.625 30 10 CJEE C=CCCCC[C@H](N)c1sc(C(F)(F)F)cc1C 2263311739 VODVCQDPHVNXHD-JTQLQIEISA-N 277.355 4.822 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H]1[C@H]2CCC[C@H]21 2263658884 BMLYSWDDCLJLGR-LTIDMASMSA-N 252.442 4.924 30 10 CJEE N#C[C@H](CSCC1(C(F)(F)F)CC1)C1CCCCC1 2266542840 PVRZLMFLRWYAQD-GFCCVEGCSA-N 291.382 4.782 30 10 CJEE CC(C)(C#N)CCCCNc1c(F)cc(Cl)cc1F 2266840228 ZCJSOWSDAPSUGW-UHFFFAOYSA-N 286.753 4.750 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)c1csc(C2CC2)c1 2267872010 REXMRBLNNRMRDW-CVEARBPZSA-N 277.433 4.769 30 10 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PWZGKZQVYRKLCY-GOSISDBHSA-N 253.389 4.755 30 10 CJEE CC(C)[C@](C)(O)CC1(C#N)CCC(C(C)(C)C)CC1 311511638 BVOYMMUJJDCVDG-ARWYELJZSA-N 265.441 4.530 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 316703492 CLQSRQGVVTZZNC-WFASDCNBSA-N 284.321 4.643 30 10 CJEE C[C@@H]1CC[C@](C=O)([C@H](C)c2ccc(Br)cc2)C1 316747583 QAYMSFPSBZPIQM-JMSVASOKSA-N 295.220 4.558 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CC2CCC(C)(C)CC2)C1 316784489 NCDXNYJJCMTRDM-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE CC(C)C1CCC(C=O)(CCc2cccs2)CC1 316799145 ISRZZJHRLSSDSW-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2cccs2)CC1 317445253 KAGAQCZWVKJIAO-UHFFFAOYSA-N 264.434 4.712 30 10 CJEE CC1(C)CCC(C=O)(CCCCC2CCOCC2)CC1 317622246 UNYIJXPJLJGHMH-UHFFFAOYSA-N 280.452 4.759 30 10 CJEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)ccc1F 387690532 VCSMAWKBYSLOHU-INIZCTEOSA-N 299.817 4.503 30 10 CJEE CCCCCCC[C@H](CCOCc1ccccc1)NC 395561052 LOCXXEQAQLBPFT-GOSISDBHSA-N 277.452 4.542 30 10 CJEE Cc1cc(Cl)c(NC[C@@H](C#N)C(C)C)cc1Cl 397497642 CMYLAULFLKCPGS-SNVBAGLBSA-N 271.191 4.510 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(OC)ns1 400272814 UFYWQMPUXNDUFI-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C=CCC(CC=C)C(=O)Nc1c(Cl)ccc(C)c1C 434025443 NRXSDXAHOFHZTC-UHFFFAOYSA-N 277.795 4.664 30 10 CJEE N#CCc1cccc(-c2ccc(Cl)c(Cl)c2)c1F 514261678 FNAORYKQIGUBKB-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE Cc1cc(OC(F)F)c(C(F)(F)F)c(C(F)F)c1 575665567 QRCSZPASROWHLJ-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCCCCCCCCC[C@]1(C=O)C[C@H](C)O[C@@H]1C 686431637 WNDOKBAKOVLBTO-GVDBMIGSSA-N 268.441 4.900 30 10 CJEE C#CCCCCCN(C)[C@H](C)c1cccc(Cl)c1 686680785 FFAFUUJYHTZWSF-CQSZACIVSA-N 263.812 4.526 30 10 CJEE N#Cc1ccc(OCc2ccsc2Cl)cc1Cl 687993241 ORCYWCYRFGFUIE-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE C=C(C)C[C@@H](NCCC)C(CC)(CC)C(F)(F)F 690213463 BVTUKUOUIPHVKB-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE CCCCCCCCCCN[C@H]1CO[C@H](C(C)C)C1 691317886 NVVGLAQMVFDXGP-SJORKVTESA-N 269.473 4.530 30 10 CJEE C[C@H](CCC1CC1)N(C)CC1(CS)CCCCCC1 691718869 YXKYPDQUQOOAMT-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCOC1(C)C 693066848 UHZXMPQHBOBBRT-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CC(C)(C)CCNCc1c[nH]c2cc(Cl)ccc12 701882772 IHRDDJYMIZXKAZ-UHFFFAOYSA-N 276.811 4.513 30 10 CJEE C[C@@H]1CC=C(C(=O)c2csc(C(F)(F)F)c2)CC1 703185045 BWWJSRLDCQYKJL-MRVPVSSYSA-N 274.307 4.696 30 10 CJEE CCCCCCCNc1ccc(N)cc1C(F)(F)F 703712176 JIHPHTLUGWFPMS-UHFFFAOYSA-N 274.330 4.670 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2C3CCCC2CCC3)C1 707113714 MRZMRBGYTFUUCI-IUGQGLEPSA-N 274.452 4.502 30 10 CJEE C[C@@H](CNc1cc(C#N)ccc1Cl)CC(C)(C)C 709246758 JBNUYCZTQGSGDX-LLVKDONJSA-N 264.800 4.696 30 10 CJEE N#CC1([C@]2(O)CCCC[C@@H]2C2CC2)CCCCCCC1 710205473 TUTSJPTWEVYELN-AEFFLSMTSA-N 275.436 4.572 30 10 CJEE C=C(Cl)C[C@@]1(CNCC(C)C)CCC[C@@H](C)C1 710690249 TWTKQEXHXPADJB-UKRRQHHQSA-N 257.849 4.571 30 10 CJEE CCCCCCC[C@@H](NC1CCC1)c1nccs1 712359659 CMXZSTDWWXSOBF-CQSZACIVSA-N 266.454 4.687 30 10 CJEE C=CCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F 712538104 KQJZABRXFXFNLZ-LLVKDONJSA-N 277.717 4.715 30 10 CJEE C=C(C)CCC(=O)c1c(Cl)cccc1C(F)(F)F 712540220 LBNYUPFSZDRMDW-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 714396079 FJCQTXRDLJNYBS-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714431933 VSAHCDYNGCFLMO-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H](C)COCc2ccccc2)C1 719622011 JAGDBYDQGMQIJA-ZHALLVOQSA-N 285.431 4.949 30 10 CJEE CC[C@@H]1C[C@H]1CC1(C=O)CC(C)(C)CC(C)(C)C1 723105614 FZEHYHXIXZEXFG-KGLIPLIRSA-N 250.426 4.844 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1C[C@H](C)O[C@H](C)C1 724268361 IJESNHQPCAGPAH-YVSFHVDLSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H]2CCCC(F)(F)C2)CC1 724595594 SYAYDEMWVKSNHC-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE C=C1CCC(C[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 724595854 WZCRPTDCVKXKFM-IKGGRYGDSA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CCC(F)(F)CC2)CC1 724605251 IYWMVHAYFGLLHA-INIZCTEOSA-N 285.422 4.927 30 10 CJEE C#CCCCNCc1ccc(-c2cccc(Cl)c2)s1 742385114 MONKHXVRKRMHGU-UHFFFAOYSA-N 289.831 4.572 30 10 CJEE C=CCCc1ccccc1NC(=S)Nc1cccc(C)c1 799899849 CKJFWFCGMCCEHK-UHFFFAOYSA-N 296.439 4.923 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccc(-c2cccs2)cc1 1169865026 WDNAAHVOUINHRA-QGZVFWFLSA-N 283.440 4.956 30 10 CJEE C#CCCOc1ccc(CN[C@@H]2CCCC[C@H]2CCC)cc1 1177655374 FOOREUGPBVXSNA-UYAOXDASSA-N 299.458 4.537 30 10 CJEE C=CCN(CCc1ccc(Cl)cc1)Cc1ccccc1 1204441053 CNTLFPJZUSAQEK-UHFFFAOYSA-N 285.818 4.571 30 10 CJEE C=CCC1(CN[C@@H](C)CCc2ccccc2F)CCCC1 1205788652 FIBMLIOLGMWEPT-INIZCTEOSA-N 289.438 4.873 30 10 CJEE C=C[C@@H](OC(=O)CCc1ccc(CC)cc1)c1ccccc1 1279069233 HWKIODNXASHXCJ-LJQANCHMSA-N 294.394 4.652 30 10 CJEE C=CCCCCCN(C)CCCc1ccc(Cl)cc1 1307485380 GASDLMIYUBHZCT-UHFFFAOYSA-N 279.855 4.951 30 10 CJEE C#CCOc1ccccc1CNc1cccc(C2CCC2)c1 1308419923 MRFJPXKJFPMHRP-UHFFFAOYSA-N 291.394 4.578 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cccc(C(=C)C)c1 1311297476 BGTVOLRXMGNHNO-UHFFFAOYSA-N 272.392 4.540 30 10 CJEE C#CCCCCCCN(CC)Cc1cccc(Cl)c1 1459307490 DGGOTSLCDZGWOB-UHFFFAOYSA-N 277.839 4.746 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1csc(C)c1C 1461635108 VYCNHFMULRZFPT-GDBMZVCRSA-N 263.450 4.589 30 10 CJEE C#CCN(C(=O)[C@H](C)CCCCCCCC)C(C)(C)C 1462857899 JIOBXJQMRHATTH-MRXNPFEDSA-N 279.468 4.633 30 10 CJEE C=CCCC1(CNC(=O)Nc2cscc2C)CCCC1 1465963944 KXYCEQMYVPFZRF-UHFFFAOYSA-N 292.448 4.705 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 1520010498 BQWDHNHJYAUIMR-KANFNMMFSA-N 297.442 4.636 30 10 CJEE C#CCCCCC(=O)N(c1cccc(C)c1)C(CC)CC 1525112806 UEIODLUWGDQYOQ-UHFFFAOYSA-N 285.431 4.710 30 10 CJEE C=C1CCC(C(=O)N(CCCCC)CCCCC)CC1 1525606890 UWJJBQJRLBTLAY-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 1529695988 HGODAJUTYPEPFO-WBVHZDCISA-N 285.431 4.589 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H]1CCCC[C@H]1CC 1531086081 WOHKOZGEMCAWGR-MSOLQXFVSA-N 291.479 4.798 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc(-c2cccc(C)c2)cn1 1533374667 WHOCYGROUNRQMW-OAHLLOKOSA-N 294.398 4.598 30 10 CJEE C=CC1(CC(=O)N2CCc3ccccc3[C@H]2C)CCCCC1 1534150038 BYPQMDMSQCZYHZ-MRXNPFEDSA-N 297.442 4.659 30 10 CJEE C=CC(C)(C)CCCNC(=O)CC[C@H]1CCc2ccccc21 1534159585 WTEIMWMHXXVHOP-QGZVFWFLSA-N 299.458 4.605 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)[C@H](C)CC1CCCCC1 1537213199 GZTWMCWXJRMOAF-WBVHZDCISA-N 277.452 4.550 30 10 CJEE C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccccc1SC 1544578917 NEENEJVQOOQMPL-LRDDRELGSA-N 278.417 4.615 30 10 CJEE C=C(C)[C@H](NCC1CCCCC1)c1ccc(F)c(F)c1 1559767458 YURGYWBPIZCMHY-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE C=CCC[C@@H](NC(=O)O[C@@H](C)CC(C)C)c1ccccc1 1561399214 YRUBZDYAKXGGAU-DOTOQJQBSA-N 289.419 4.855 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H](C)c1ccccc1F 1583102905 GMFNUWOKVOLCMX-HNNXBMFYSA-N 291.410 4.572 30 10 CJEE C=CCC1(C(=O)NCCc2ccc(C=C)cc2)CCCCC1 1583442800 XPSKTTOVFWFOBD-UHFFFAOYSA-N 297.442 4.515 30 10 CJEE C=C(CC)C(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 1583564350 MWSDCZODLDFWCA-OAHLLOKOSA-N 293.410 4.858 30 10 CJEE C=CCCCC(=O)NCc1ccc(-c2ccccc2)c(C)c1 1585739005 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CCCCCCCN(C)c1ccccc1[C@@H](O)CC 1887114517 UQIJRKKZLXJMQE-KRWDZBQOSA-N 263.425 4.537 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@H]1CC(F)(F)CN1 1892085582 QHGTWYNFWZQWPK-ZIAGYGMSSA-N 279.390 4.853 30 10 CJEE C=CCC(CC=C)Nc1ccc(C)c(Br)c1 1900997326 NUZMKTDLDMPSDU-UHFFFAOYSA-N 280.209 4.690 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc(Cl)c(Cl)s1 1901001721 ZDZGFIHWTDLFER-NSHDSACASA-N 277.216 4.857 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cncn1CC 1918675884 JLDDILLIXDHPLQ-KRWDZBQOSA-N 280.456 4.857 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCCC)[C@@H](C)CC 1920916922 GFTDQEWCEKRODX-BBWFWOEESA-N 271.489 4.512 30 10 CJEE CCC1CC(CN(C)CC2(CS)CCCCCC2)C1 1921330148 UWLADEOMNVFRJT-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC[C@H]1CC1(C)C)NCC 1921482353 RFILITKMAJIOGD-ULQDDVLXSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@](O)(CC)CCCC 1921953047 PONUDKXMEWSGLV-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=C([C@H](NC)C1(C(F)(F)F)CCCCC1)[Si](C)(C)C 1922972696 BRWAOJQCCORBSD-LBPRGKRZSA-N 293.449 4.521 30 10 CJEE 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295.226 4.597 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@H](C)[C@H]1C 300521443 PJSAPHFGKMKHPS-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CO[C@@H]1CCCC[C@@H]1C1(C#N)CCC(C(C)C)CC1 312074115 PFXGWDFUKWYYLC-VUROTCPHSA-N 263.425 4.548 30 10 CJEE SCC1(COC/C=C\c2ccccc2)CCCCCC1 312143262 BKPHCHXIRMRIHG-FLIBITNWSA-N 290.472 4.987 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 312638571 IEKJABOIVXFBOS-YLFCFFPRSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCNCC[C@H](CC)CCC(=O)O 312708523 OWVLHVNTVQXKLZ-MRXNPFEDSA-N 285.472 4.608 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C2C[C@@H](C)C[C@H](C)C2)C1 316616001 ALGLKQIESAJISM-MPTYRVRUSA-N 250.426 4.844 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)[C@H]1CCOC2(CCCCC2)C1 316709285 DAHGMGDUYZYKRH-RYRKJORJSA-N 278.436 4.511 30 10 CJEE CC(C)(C)C#CC[C@@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2 318327525 QVKKDHKPUDSWHQ-BXWFABGCSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCN[C@H](C)c1ccc(OC)c(F)c1 380367527 KWUKRIKUTRMKDZ-CQSZACIVSA-N 279.399 4.621 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2csc(Cl)c2)cc1C 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CLOQNBSOBSDFCL-CYBMUJFWSA-N 275.289 4.677 30 10 CJEE CC#CCCNC(C1CCCCC1)C1CCCCC1 2338284551 DBDMERBTFHXKRR-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2338748545 YVHJPTFVSYLYEU-MLHJIOFPSA-N 261.453 4.559 30 10 CJEE Cc1c(C[C@]2(C#N)CCO[C@@H](C)C2)ccc(Cl)c1Cl 2338854354 NELURUXMLHHUHV-BONVTDFDSA-N 298.213 4.553 30 10 CJEE C=CCCCCCCNC[C@@H]1C[C@H]2CCC[C@H]1CC2 2338915024 DMVUPLHWVIRWLO-BZSNNMDCSA-N 263.469 4.929 30 10 CJEE C=C1C[C@@H]1[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NCC 2341880853 QZNXOGPSWKZFSB-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=C1C[C@H]1[C@@H](NCC)c1cccc(C2CCCC2)c1 2341889217 PWDSUNXPXKCVGP-MSOLQXFVSA-N 255.405 4.571 30 10 CJEE C=C[C@H](C)C[C@H](Cc1cccc(C(C)C)c1)NCC 2343744698 CVLGSHRIFUJVST-MAUKXSAKSA-N 259.437 4.543 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC=Cc1ccccc1)NC 2344348838 NZXCNBSWADRJJP-QZTJIDSGSA-N 257.421 4.670 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CCCCC12CC2)NC 2344349787 WCSLCYJFJMFGSX-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C#CCC1(NCC[C@H]2CCC(C)(C)C2)CCCCC1 2344856648 OJSWYJWFYFGUHZ-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC(c2cccs2)CC1 2353838144 PJUVSYHWQYLDLT-CQSZACIVSA-N 297.533 4.520 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2C[C@@H]1C[C@]2(C)OC 2356701269 AGFQIFQIGNPMQG-TVFCKZIOSA-N 281.484 4.530 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2358321772 DXFJADQGJVAGSH-JJXSEGSLSA-N 286.406 4.945 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1c(C)cc(C)cc1C 2360206717 ATXSDNAYCJHCBR-IRXDYDNUSA-N 291.504 4.960 30 10 CJEE CCOc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1 247330 MVZFLRFXIMQFPU-QCUIPMNBSA-N 284.399 4.638 30 10 CJEE Cc1cccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)c1 14479845 PLIOORICIXYILY-ABSDTBQOSA-N 286.378 4.693 30 10 CJEE CC1(C)CC[C@H](Nc2ccc(C#N)cc2)c2ccccc21 20525637 DXXIDIACCKUGRM-SFHVURJKSA-N 276.383 4.783 30 10 CJEE Cc1ccc(SCCCOc2ccccc2C#N)cc1C 37143636 BRDDTGRMJFWMII-UHFFFAOYSA-N 297.423 4.736 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155604 BGNAZHZHLQTLBY-TYNCELHUSA-N 286.400 4.638 30 10 CJEE C=CCSc1ccccc1NCc1cccs1 37495485 YIZFHEQZURBUOM-UHFFFAOYSA-N 261.415 4.638 30 10 CJEE Cc1cccc(-c2sc(C#N)c(N)c2-c2ccccc2)c1 44273944 VAVRYWQNTKTWJO-UHFFFAOYSA-N 290.391 4.844 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2c(C)ccc(C)c2C)cc1 57684962 XSOUWYDTHTVOIT-IBGZPJMESA-N 293.410 4.997 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1Cc1nc(CC#N)cs1 61798151 KRVLMDXXZMNCOW-UHFFFAOYSA-N 298.455 4.714 30 10 CJEE N#C[C@H](C(=O)c1coc2ccccc12)c1ccc(Cl)cc1 70392289 VPOPZKHHCZGEAE-AWEZNQCLSA-N 295.725 4.576 30 10 CJEE CCOc1ccc(CC)cc1C(=O)/C=C/c1ccc(C)cc1 83193929 JZWSPHUKECMIKV-ZRDIBKRKSA-N 294.394 4.852 30 10 CJEE N#CC1(c2ccc(Cl)cc2)CC2(CCCCC2)C1 86537796 YJGIZZPCSSGLTC-UHFFFAOYSA-N 259.780 4.846 30 10 CJEE SCCCCOc1c(Cl)cc(Cl)cc1Cl 87077869 DOWUIKAVXMPZKQ-UHFFFAOYSA-N 285.623 4.736 30 10 CJEE CC[C@@H](CS)COc1cc(Cl)c(Cl)cc1Cl 87078895 HKNSAXBUWHBXLQ-SSDOTTSWSA-N 299.650 4.982 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cccc([N+](=O)[O-])c2C)C1 87972379 VTSAUQPBEPMOMI-RHSMWYFYSA-N 286.375 4.556 30 10 CJEE C=C(C)C[C@H](CSc1ccc(Cl)cc1)NCCC 92130049 UNMJKJTWPWESHV-CQSZACIVSA-N 283.868 4.767 30 10 CJEE CCCc1c(-c2cc(Cl)ccc2F)sc(C#N)c1N 93074552 HAMDYQTVJZNOBP-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccc(OC)cc1 94580632 CVWPWZDOCSTMEP-UHFFFAOYSA-N 295.492 4.648 30 10 CJEE CCCCN(CC1(CS)CCCCC1)[C@@H](C)CC 94581559 UQGZJTLJPBVBPK-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE CC(=C/c1cccc(OCc2ccccc2)c1)/C(C)=N/O 96587132 DUMDSHVOEIRKKW-NTHKVZAZSA-N 281.355 4.519 30 10 CJEE C=C(CC)C[C@H](N)C(c1ccccc1)c1ccccc1 97208442 CDESASWIAFUCMS-SFHVURJKSA-N 265.400 4.502 30 10 CJEE COc1ccc(/C=C\C(=O)/C=C\c2ccc(Cl)cc2)cc1 103044205 NURTVDZVDIFXDI-GGXLTUIBSA-N 298.769 4.644 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(C(C)C)cc1 104009791 AHNPWAAFAGGPJT-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCCCCCCO[C@@H](c1ccccc1F)[C@@H](N)CC 109987600 BDFFBSIASKVULD-IRXDYDNUSA-N 281.415 4.591 30 10 CJEE CCCCN(c1ccc(C#N)c(Cl)c1)[C@@H](C)CC 110256521 MNDIBHJJDYRXQA-LBPRGKRZSA-N 264.800 4.617 30 10 CJEE CCC1CCC(N(C)[C@@H]2C[C@H](CC)CC[C@@H]2C#N)CC1 110264215 SCFJRGAJHDEDNT-VSQHIIRESA-N 276.468 4.605 30 10 CJEE CCCCCCCCOC(=O)CNc1ccc(Cl)cc1 110389236 ACJBPQYLKZLBQK-UHFFFAOYSA-N 297.826 4.656 30 10 CJEE CCCCCCCCCCCCn1nccc1CNCC 112933979 VAIBNFVNCPALKD-UHFFFAOYSA-N 293.499 4.914 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)COC2 115064741 RCRAQNCYJVUSSR-QGZVFWFLSA-N 262.393 4.501 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NCC12CCCC2 115241974 VFWHLVXXWHMQLN-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCC[C@@]1(O)CCCCc2ccccc21 115649578 VHIPIYFMXLCNMH-GOSISDBHSA-N 260.421 4.961 30 10 CJEE CCCCCCCCn1ccc2cccc(C(=O)O)c21 116491385 JZZDBPAIYOXOQZ-UHFFFAOYSA-N 273.376 4.700 30 10 CJEE CCCCCCCCCCC[C@@H](N)C1=COCCC1 122628636 MXFCHMSFIMEWLR-QGZVFWFLSA-N 267.457 4.929 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1COc2ccccc21 124472703 YKUGECLZRHCBHV-SJORKVTESA-N 276.420 4.664 30 10 CJEE CCCCCCCCCCNC1=NC[C@@H](CC)S1 125562638 YIELIGVHZWNSKZ-CQSZACIVSA-N 270.486 4.598 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1cccc(SC)c1C#N 127075614 OUJXFGKOEWZGRF-NWDGAFQWSA-N 262.422 4.517 30 10 CJEE CCCCCCCOc1cccc(NC(C)(C)C)n1 131412872 ZIZAVURJMBZNKI-UHFFFAOYSA-N 264.413 4.641 30 10 CJEE CCCCCCCCC[C@H](O)CCc1ccccn1 135354576 DCBDTHIYJHLLHJ-KRWDZBQOSA-N 263.425 4.516 30 10 CJEE CCCCCCCC[C@H](O)c1snnc1C(C)(C)C 135385125 ZLDBYSLNJZXHNX-LBPRGKRZSA-N 284.469 4.620 30 10 CJEE FC(F)(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 139585346 UGRLSMQCJKPTKP-UHFFFAOYSA-N 298.104 4.623 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1OCCc2ccccc21 140271947 IRHUOONUDOFSMA-RTBURBONSA-N 289.463 4.639 30 10 CJEE CCCCCCCCNc1ccc(C(=O)O)c(Cl)c1 147330389 RFFIIJCVHBHNAJ-UHFFFAOYSA-N 283.799 4.811 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@H]1Cc2ccccc2S1 158981724 BFZXGZQMCZDMPZ-SJLPKXTDSA-N 289.488 4.531 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2F)c2ccccc21 163809024 CQHSIMJUUYCTJU-PXAZEXFGSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](CN)[C@H](C)C1 165320123 UDFVQTHECDWWTE-MOPGFXCFSA-N 296.543 4.824 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(Cl)cc1OC 167715650 JEPDKNNKDRLTFD-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 167857666 WOOQTGJWBVJHPB-AWEZNQCLSA-N 267.294 4.893 30 10 CJEE CCCCCCCCC[C@H](O)c1c(OC)cccc1OC 168175149 JOOVWCVMUDBUSF-HNNXBMFYSA-N 294.435 4.878 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C=C1CCC1 189895610 DHPVQGFYCRSPQA-UHFFFAOYSA-N 269.388 4.587 30 10 CJEE CC(C)(Cl)C[C@@H](C#N)C1C2CC3CC(C2)CC1C3 217001930 NTSOPOKIBZAKQN-BPHCLYMKSA-N 265.828 4.606 30 10 CJEE C=C(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 222794415 MPCRFSSLZMKHJD-UHFFFAOYSA-N 276.257 4.602 30 10 CJEE Cc1cc(O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1C#N 227260655 IXDVOWYTOZQAAQ-KKXDTOCCSA-N 271.404 4.706 30 10 CJEE Cc1cc(C)cc(CS[C@@H]2C[C@@H](C)CC[C@H]2C#N)c1 227266705 FGXQUORRZGSEDV-AFAVFJNCSA-N 273.445 4.865 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)ccc1OC 228478971 BVJKOKLFJROSLR-AWEZNQCLSA-N 269.816 4.709 30 10 CJEE CCSc1cccc(NC[C@@H]2CC[C@H](C)C2)c1C#N 230425803 UPVIUVBAIOGUFV-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE CC(C)C[C@H]1CCC[C@](C#N)(Nc2ccccc2F)C1 230779508 YJICBBRHSPQKKR-PBHICJAKSA-N 274.383 4.736 30 10 CJEE CCCCCCCCCC[C@@H](O)CCOCC(F)(F)F 232081430 LERYSZMVCOOQHV-CQSZACIVSA-N 298.389 4.847 30 10 CJEE CCCCCCCCC[C@H](NN)c1c(C)cccc1C 232924869 WALUIWBKPORONH-KRWDZBQOSA-N 276.468 4.949 30 10 CJEE CCCCCCCCCc1nc2n(c1N)[C@H](C)CCC2 232962484 MIZYRKLUNOUZNP-CQSZACIVSA-N 277.456 4.656 30 10 CJEE C=CCCCCC[C@H](NCC)c1cccc(OCC)c1 233545990 UIVKFUWVCXMTCH-SFHVURJKSA-N 275.436 4.872 30 10 CJEE Cc1cc([C@@H](C)Nc2ccc(C#N)c(F)c2F)c(C)s1 235230788 FRKQAZAOWKUXGX-SECBINFHSA-N 292.354 4.688 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1F 235567204 YBRQFEHAHZQDCD-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)c3ccccc23)C1 235708239 AOTQIJWQXRUFFK-DZGCQCFKSA-N 264.372 4.702 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(F)c(Cl)cc1F 236315690 PFMJRSFBHSOPCU-CQSZACIVSA-N 273.754 4.755 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@H]1C(C)C 250824266 MSHBNIKYIJWORR-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CC(C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 252439381 NWSWHOSXPZUFIN-HRCADAONSA-N 259.418 4.604 30 10 CJEE C=C(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC 252638136 ILORSCJZAHDLSS-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC 253309611 SVKLSKAUKZIINN-PMPSAXMXSA-N 251.458 4.641 30 10 CJEE Cc1cc(C2(C#N)CCC2)ccc1OCc1ccccc1 260605971 RDZYGAYTODIBJN-UHFFFAOYSA-N 277.367 4.519 30 10 CJEE Cc1c(Cl)cc(Br)cc1[C@@H](CC#N)C1CC1 260647749 QIKYKYAIZVSYCU-NSHDSACASA-N 298.611 4.818 30 10 CJEE CC(C)C[C@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)C1 306792838 AVOYSFZGSKUBRR-QAALXFNPSA-N 278.245 4.781 30 10 CJEE CCCCCCCCC[C@H](O)c1c(C)nn(CC)c1C 307962876 CNMZUZQTSPPKQY-INIZCTEOSA-N 280.456 4.694 30 10 CJEE C/C=C(\CC)C(=O)c1c(Cl)cccc1Br 308786832 GPFOURAFJKEZIE-FPYGCLRLSA-N 287.584 4.642 30 10 CJEE C=C(C)CCOCc1cc(Cl)ccc1Br 308818167 FSIFDPYVKFWZPY-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE CCCN(CC(C)C)c1cccc(SCC)c1C#N 311442455 PTVBJCLHJDGWAC-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CCCCCCCCCCC1(CNC)CCC(O)CC1 312916686 BOHXANGXNRMAHS-UHFFFAOYSA-N 283.500 4.658 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SC2(CO)CCCCC2)C1 313062241 MFCCUYBTFWWATP-OAGGEKHMSA-N 295.492 4.523 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)c1c(F)cccc1Cl 313577419 XAEKVRMNCIAPJV-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C/C=C/c2ccccc2)C1 317254555 DUSWVURGOYSQSI-DDIQYJBLSA-N 256.389 4.875 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCC(F)(F)C2)C1 317349404 SUZDZFWMPLZLIH-MCIONIFRSA-N 258.352 4.597 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 322395071 PTJFBDQKTKXTSR-OAHLLOKOSA-N 262.784 4.592 30 10 CJEE O=C(C=C1CCCCC1)C[C@H]1CCCC(F)(F)C1 384232353 BQQZLHRRDQCAQP-CYBMUJFWSA-N 256.336 4.662 30 10 CJEE Cc1cc([C@]2(C#N)CCCC[C@H]2C)c2ccccc2n1 384848979 KNHKVYFSJXVQQZ-ACJLOTCBSA-N 264.372 4.515 30 10 CJEE CC(C)CNCc1cccc(SCCCCCC#N)c1 385288205 HWIFOIUDJUWAGY-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE C=C([C@H](NCCC)c1ccc(F)cc1Cl)C(F)(F)F 388357238 HCMLHQYEWRPOPR-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE CC(C)[C@H](C#N)CNc1c(Cl)cc(Cl)cc1Cl 397502909 BHJBWZMASQYGKJ-MRVPVSSYSA-N 291.609 4.854 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1cccc(Br)c1 398138926 YTCLAEDPHMEQHJ-OLZOCXBDSA-N 296.252 4.845 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]1(C)C[C@H]1F 399743978 MNQOYKBUBNKYIA-PMPSAXMXSA-N 257.437 4.853 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCCCC[C@@H]1NC 403418400 PVIRPFATSHEDNG-ROUUACIJSA-N 281.484 4.840 30 10 CJEE CCCCCCCCCC[C@@H]1[C@H](NCC)CO[C@H]1C 405828944 RZSBMHKBZOSYFJ-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CCCc1ccccc1NCc1nc(C2CC2)cs1 409841130 FJRQUSKLNXHFGQ-UHFFFAOYSA-N 284.428 4.751 30 10 CJEE C=C(C)CCN1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 510782258 RDQKWIFYEJFQTR-GOSISDBHSA-N 295.430 4.570 30 10 CJEE C=CCCC[C@H](C)Sc1nnc(-c2ccccc2F)o1 680883064 VSLBLECDZOWQLY-NSHDSACASA-N 292.379 4.713 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(Cl)c2cccnc12 686678312 LOTUBTZCRCJNSQ-MRXNPFEDSA-N 287.790 4.505 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccsc2Cl)CC1 688037756 VVYZOZDAMWODFK-UHFFFAOYSA-N 270.825 4.730 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 691055328 VBMSZSYOLNDMOE-LRDDRELGSA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(C)cc(C)cc1C 692213156 FMQTWKAARBAJPR-IEBWSBKVSA-N 271.448 4.836 30 10 CJEE CCCCCCCCOc1cc(C2CC2)nc(Cl)n1 692635559 VFZGPWBEVHHTKE-UHFFFAOYSA-N 282.815 4.747 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1COC[C@H]1C 705259894 VQEZAPOOYBAWQS-KURKYZTESA-N 284.484 4.941 30 10 CJEE C=CC[C@@H](C=C)OC[C@H](NCCC)c1cccc(Cl)c1 709507230 RYKPGBMKTHKLND-SJORKVTESA-N 293.838 4.528 30 10 CJEE CN(CCCCCCCCCS)C[C@@]12CCC[C@H]1C2 710462897 VJMLNPFBHKDRRV-IRXDYDNUSA-N 283.525 4.769 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cccc(F)c1Cl 710643736 GDAUKDIOJQKVFF-GFCCVEGCSA-N 276.182 4.662 30 10 CJEE CCCCCCC[C@H](NC1CCC1)c1nccs1 712359654 CMXZSTDWWXSOBF-AWEZNQCLSA-N 266.454 4.687 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC(C)(C)CO1)NC 717028533 OYAYXYLZEIPSKP-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CCCC(C)(C)NCc1ccc(CC(C)C)cc1 717916606 OWDWECBOPISJNR-UHFFFAOYSA-N 259.437 4.720 30 10 CJEE CC1(C)CC(C[C@@]2(C#N)CCc3ccccc3C2)C1 723586787 OYRPGPYVYSNFJU-SFHVURJKSA-N 253.389 4.512 30 10 CJEE C=C1CCC(COc2ccccc2Br)CC1 724571537 ZJTACKKTDDLLGN-UHFFFAOYSA-N 281.193 4.574 30 10 CJEE CSc1cc(CC#N)cc2c(C(F)F)csc12 725296187 SHPZSTRGODXGEV-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE N#CCc1csc2cc(F)cc(SC(F)(F)F)c12 725305090 MKRVHHGPHAGNJY-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@]2(C)CC=C(C)CC2)c1 1125821375 ANNKATZNXIYCSG-IBGZPJMESA-N 299.414 4.717 30 10 CJEE C=C[C@@H](C(=O)N1CCCC(CC)(CC)CC1)c1ccccc1 1154335969 SOYBBYHJTPMCLJ-GOSISDBHSA-N 299.458 4.775 30 10 CJEE C=CCCCCN(C)[C@@H]1CCC[C@H]1c1ccccc1 1171017928 KAOHQZYSYHYAIP-ZWKOTPCHSA-N 257.421 4.611 30 10 CJEE C=C(C)CN[C@@H](CCCc1ccccc1)c1ccccc1 1191664179 NNUWTOFLQDDFAV-FQEVSTJZSA-N 279.427 4.916 30 10 CJEE C=CC[C@@H](C)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 1194497774 QUCVCQZFCHWEKL-CQSZACIVSA-N 295.829 4.651 30 10 CJEE C=CCCCCSc1nnc(-c2ccccc2Cl)o1 1307293505 MMTFEXCOSGSDLX-UHFFFAOYSA-N 294.807 4.838 30 10 CJEE 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2227284167 AUYUMSIQCORHNY-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=CCC[C@H](NCC)c1cccc(C(F)(F)F)c1C 2227666314 RHPHSKIONKFWFJ-AWEZNQCLSA-N 271.326 4.631 30 10 CJEE CC#CCCC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2228041254 FKEUICLIPQVGSG-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE CC1(CC(=O)C2=CCCCC2)CC2(CC(F)(F)C2)C1 2230634050 OVVWWLLTGVFKQW-UHFFFAOYSA-N 268.347 4.662 30 10 CJEE CCCCCCCCCO[C@H](C)[C@H](C)CNC1CC1 2230992414 MMFYPTATZXBLBS-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1C[C@@]12CC2(F)F 2231930745 XSOGIXRRDQCHRS-RRFJBIMHSA-N 273.411 4.760 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc(OC)nc1 2231947178 WHAQVUHIFOYJFJ-AWEZNQCLSA-N 264.413 4.641 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(N)CCCC12CC2 2235233879 GJDSGPHJAAWSEX-FUHWJXTLSA-N 281.484 4.540 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCOC[C@H]1C 2235522993 ACDIBCYDOZZRPD-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCn1cc(C=O)c2ccccc21 2235523430 FUNGJZBSCCEROS-UHFFFAOYSA-N 269.388 4.980 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)C[C@H](C)C(F)F 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C=C1CC([C@H](O)c2cc(Br)cc(C(C)C)c2)C1 2247238932 NHSLKXFAOCZQQM-HNNXBMFYSA-N 295.220 4.572 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(Cl)c(F)c1 2250131444 AYMLDCULUBRPHO-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE Cc1ccc(CSCC2=CCCCC2)cc1C#N 2255117035 HXVDELZNQGZUQR-UHFFFAOYSA-N 257.402 4.600 30 10 CJEE CCCC[C@](C=O)(CC)C[C@@H]1CCC[C@@H]1C(F)F 2257770560 OMOIVOSMVDJUAK-KCQAQPDRSA-N 260.368 4.843 30 10 CJEE C=C(C)CCCC[C@@H](O)C(F)(F)C1CCCCC1 2259198770 LXFTUBUOSSLUTF-CQSZACIVSA-N 260.368 4.699 30 10 CJEE C=CCCCCCCCCN[C@@H]1CCC[C@H]1CF 2260468928 ISKJBHWOMOYLSK-JKSUJKDBSA-N 255.421 4.631 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc2cscc2s1 2261121046 TUUHCXURVLXXCL-ZDUSSCGKSA-N 275.442 4.546 30 10 CJEE C=CC1(C[C@H](O)C2CC(CC(C)(C)C)C2)CCC1 2261197223 QMRKGJWGXVAJSS-NRXISQOPSA-N 250.426 4.556 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@H](C)CCOC 2263670530 NNKWTDNIHARXTL-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)NOCC1CCC1 2263716941 FDYQLPRQBXFYDI-OAHLLOKOSA-N 255.446 4.837 30 10 CJEE CCCCC1CC(Nc2cc(C)c(C#N)c(C)c2)C1 2265860461 QVHMOARSHGEPAO-UHFFFAOYSA-N 256.393 4.556 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@@H]2CC(F)(F)C23CCC3)CC1 2266267705 HOTLFJJUKJHMNO-CHWSQXEVSA-N 268.347 4.518 30 10 CJEE N#Cc1ccc(Nc2c(F)cc(Cl)cc2F)cc1Cl 2266841879 VSLLRCWBNMNLKH-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CNCC1(CC=CC#CC(C)(C)C)CCCCCC1 2268728860 PNCBKYNWMDGWGD-UHFFFAOYSA-N 261.453 4.542 30 10 CJEE C=CCCCSC[C@H](N)c1ccc(CC(C)C)cc1 2271484378 CHYDCQILZPEXRZ-KRWDZBQOSA-N 277.477 4.584 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)[C@]23CCCC[C@@H]2CC3)CC1 2273336263 CUIFWJJEDNSXKN-KYJSFNMBSA-N 260.421 4.908 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C1CCCCCCC1 2273995540 WCTSFWOTLTXLLY-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@@](C)(OCCCN)C1CC1 2276635044 PWRHNDAFITZSNR-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H]1CC1(C)C 2277158762 ZPIOMASKLPPJRQ-WBVHZDCISA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](CCC1CCCC1)OCCN 2277235305 ZZCVTAZLXAMQNA-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@](C)(O)CCc1ccc(F)cc1 2277441061 ZBIYPTZCUCWTGN-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1nc2ccccc2s1 2277983115 PFYPIWRMMFDBBN-WFASDCNBSA-N 274.433 4.549 30 10 CJEE CCCCCCCCCCC[C@@H](N)CC[C@@H]1CCO1 2278533425 OVWUIPPLPNAVDU-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE C=C[C@@H](NCCC12CC3CC(CC(C3)C1)C2)C1CCC1 2279860806 BIHMKYFTPOUKQC-CHNSHAQVSA-N 273.464 4.537 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H](O)c1sccc1CC 2283088527 IYQHTXPGFUODDP-JKSUJKDBSA-N 297.508 4.812 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H](C)C1CCCC1 2284177265 QCYIUYXXKSRFBQ-FUHWJXTLSA-N 275.480 4.787 30 10 CJEE CN(CC=CC#CC(C)(C)C)[C@H]1CCCCCC12CC2 2284177331 GYOPQYPZMWZUAZ-KRWDZBQOSA-N 273.464 4.637 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1ccc(C#N)cc1F 2284890564 IBCXHPHHKFKNSX-CQSZACIVSA-N 277.383 4.929 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccn(CCCCC)n1 2285065407 SPOGGLSZWHDINJ-QGZVFWFLSA-N 280.456 4.641 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1csc(C)c1OC 2287317342 OSYHZVSNKUPUHN-MRXNPFEDSA-N 293.476 4.690 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)CC(C)(C)C(F)(F)F 2289784998 UYBGXVUOJFAXJV-AWEZNQCLSA-N 289.385 4.527 30 10 CJEE C=CCCCCCCC[C@]1(OCC(=O)O)CC[C@@H]1CC 2291820692 YCRCZKDNZIHIBC-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(C(C)(C)C)C(CC(C)C)(CC(C)C)OCC(=O)O 2292245794 VXRKIPOPMWQBTR-UHFFFAOYSA-N 284.440 4.521 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1[C@@H]2CCC[C@@H]12 2292998721 ACWGYITZFAXFHH-ZACQAIPSSA-N 281.484 4.517 30 10 CJEE C=CC1(C[C@@](C)(CCCCCCC)OCCN)CCC1 2293519324 NXXXGCOOVCAXKF-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@H](OCCN)c1cc(C)sc1C 2294016504 WWQZDHIQDMAFAX-QGZVFWFLSA-N 295.492 4.908 30 10 CJEE CCCCCCC[C@@]1(OCCCN)C=CC[C@@H](CC)C1 2294360122 DDMSCKMTQFKNLY-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCCCC12CCC2 2294428831 WXKGMUVBBSFGJI-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)C=C(C)CC1 2294560276 UTBUYRSWEQDDFH-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CC[C@@H](C)Sc1c(CNCC)sc(C)c1C 2298945967 DNAPIQHTIUBBBM-SNVBAGLBSA-N 269.479 4.531 30 10 CJEE C=CC[C@@H](C)Sc1cc(CNCCC)sc1C 2298947787 JNLRNRYNWQCABO-LLVKDONJSA-N 269.479 4.613 30 10 CJEE CCC[C@H](OC[C@@H](CC)CS)c1ccccc1 2302073082 BEZHPFASXQBIBP-HIFRSBDPSA-N 252.423 4.500 30 10 CJEE O=C1CCCCC=C1c1cc(Cl)c(C(F)F)s1 2304537962 VAECBSUDCYHEPR-UHFFFAOYSA-N 276.735 4.866 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1c(Cl)cccc1Cl 2315420845 SPLMTLLWESEKGL-XHDPSFHLSA-N 284.230 4.828 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](C)CC(F)F)NCC 2321101578 KPUYTEFVAQBBRQ-NFAWXSAZSA-N 261.400 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@H]1CC[C@H](C)CC1)NC 2321104127 DABKKUMJSSJQOK-QBPKDAKJSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](O)c1cc(C)c2sccc2c1 2321235261 WLJBZFATJDAKKJ-OAHLLOKOSA-N 260.402 4.845 30 10 CJEE CCCN(C[C@@](C)(CS)C(C)(C)C)C1CCCC1 2327162820 IXPATPCHGZSUPT-INIZCTEOSA-N 271.514 4.623 30 10 CJEE CCC(=NOCc1cccc(F)c1)c1ccc(F)c(C)c1 2330278898 ROBQWSASYUYUGF-UHFFFAOYSA-N 289.325 4.604 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 2337066932 CQDISADVKWJWAP-RNGZQALNSA-N 261.453 4.536 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC1CC[Si]2(CCCC2)CC1 2337112496 DQYMUQDNBBONOB-DOTOQJQBSA-N 277.528 4.726 30 10 CJEE C=CCC(CC=C)C1(CN)CCC(C(C)(C)C)CC1 2338725159 OGFYAYLQMIAFNA-UHFFFAOYSA-N 263.469 4.936 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2338737747 GSSPTXDKTSVWEW-MVJTYMMSSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](N)[C@@H]1C[C@@H]1C1CCCCCC1 2338741681 PFQCKDMRRYTWIP-KURKYZTESA-N 261.453 4.689 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCC[C@H]1C(C)C 2338744630 PKRXOAGICLBBMS-RCCFBDPRSA-N 263.469 4.805 30 10 CJEE COc1c(Cl)cc(C[C@@]2(C#N)CCC2(C)C)cc1Cl 2339972598 JFVCOBZJUPCCGR-OAHLLOKOSA-N 298.213 4.874 30 10 CJEE CCC[C@@H](OCc1ccsc1C#N)c1ccccc1 2340548615 QRAURYOJDDWGNG-OAHLLOKOSA-N 271.385 4.678 30 10 CJEE C=C1CC([C@H](CCCC2=CCCCC2)NCCC)C1 2341098360 KWTPWNVXVLQBKC-SFHVURJKSA-N 261.453 4.992 30 10 CJEE C=C1C[C@@H]1[C@H](CC[C@@H]1CCCCC12CC2)NCCC 2341884610 LBHODJZGVXRBHA-ULQDDVLXSA-N 261.453 4.681 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC(C)(F)C1)NCCC 2344336008 FPHHHPALRFBYNO-JCCCHCCOSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)c(C)c1 2344343012 MVOGNULVUASDBZ-ROUUACIJSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(F)c1C 2344377709 TWYWOCNKKUHNEZ-DLBZAZTESA-N 263.400 4.777 30 10 CJEE C=CC[C@@H](C)[C@@H](C/C=C/c1ccccc1)NCCC 2344379831 JPMGNPBOWJQNMU-KQHUNKBVSA-N 257.421 4.670 30 10 CJEE C=CCC(C)(C)[C@H](CC(C)(C)c1ccccc1)NC 2344386173 VDHZJDNTFSIHRT-INIZCTEOSA-N 259.437 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(CC(C)C)cc1 2344456394 DNTBXTRSRWEIKK-MSOLQXFVSA-N 260.421 4.911 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc(F)cc(C(F)F)c1 2344475791 IMCHWHVZMOPGBF-HIFRSBDPSA-N 272.310 4.789 30 10 CJEE CSc1cc(N[C@]2(C)CCC(C)(C)C2)ccc1C#N 2353826345 MKHBAEMHGUUCQR-MRXNPFEDSA-N 274.433 4.661 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C[C@@H]2CC[C@H](C1)S2 2354849532 FUJJQHAGLQHNHF-RFACTVBYSA-N 297.414 4.626 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@H]1CC[C@H](COC)C1 2355997364 QQKBCPRWWJVDRO-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(C)OC 2356191909 KHKMYEOZKLRUMA-DISONHOPSA-N 281.484 4.529 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H](O)[C@@H]1C[C@H]1C 2357651222 NMTISJIDOMWARV-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@@]12CCCC[C@@H]1CC2 2359767918 YUHKJUAKNRILED-CEXWTWQISA-N 273.464 4.519 30 10 CJEE C=CCC(CC=C)O[C@H](c1cccc(Cl)c1)[C@H](N)CC 2360212327 FLLPTTRAUPQNDT-IAGOWNOFSA-N 293.838 4.656 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC2CC2)c(C)c1 2360370410 DQSCKBZTFDNHEV-UHFFFAOYSA-N 287.472 4.860 30 10 CJEE COc1cccc(OCC2(CS)CCCCCC2)c1C 2360509785 ABNRSASYOAHFDE-UHFFFAOYSA-N 294.460 4.653 30 10 CJEE Cc1ccc(/N=C/c2ccc(Cl)c(Cl)c2)c(O)c1 226493 VTRGSXLPYJFJMB-CAOOACKPSA-N 280.154 4.758 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 21812388 DFRSMLTZOHJRLF-DLBZAZTESA-N 255.405 4.685 30 10 CJEE Cc1ccc(/C=C2/CCC/C(=C/c3ccc(C)o3)C2=O)o1 33362557 BEMHNULRKMSCKA-HYQBVQLESA-N 282.339 4.709 30 10 CJEE N#Cc1cnc2ccccc2c1Nc1cc(Cl)ccc1F 36913331 FEEHAQOIMYIJFD-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 37277860 CNRRSCLRYUEOOV-WOSRLPQWSA-N 288.822 4.982 30 10 CJEE CCCc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 54824992 LBCRLXNDKNDGJL-RDJZCZTQSA-N 256.393 4.523 30 10 CJEE C[C@@H]1CCC[C@@H](S[C@@H](CC#N)c2ccccc2)C1 55023037 OZEZAGHVNKCMAA-BMFZPTHFSA-N 259.418 4.953 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(OC)cc1 59284963 GIMFDFDWVCMBFT-KRWDZBQOSA-N 263.425 4.706 30 10 CJEE CCCCCCCCNc1ccccc1-n1cccn1 59446023 LVOKOFUEIOFDEA-UHFFFAOYSA-N 271.408 4.645 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc(C(F)(F)F)cc1 70139505 PGQFCKDQOOYSFH-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)C3=CC(=O)O[C@@H]3C(C)(C)CC[C@H]2C1 85762483 HJTIEBXNTWYKEY-IVJVFBROSA-N 288.431 4.657 30 10 CJEE biogenic C[C@H]1CCC[C@@](C#N)(Cc2ccccc2Br)C1 87930327 CSZMSEOXASDKRP-WFASDCNBSA-N 292.220 4.712 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2ccc(Cl)cc2Cl)C1 87973169 RDDLSNBEOYEWNW-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE C[C@H]1CC[C@@H](C)C[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 91887506 YMBGSAJSSSGQOP-ZFQZYHBASA-N 291.479 4.920 30 10 CJEE CC[C@H]1CCC[C@](O)(C2(C#N)CCCCCC2)CC1 91903335 HVIMGUFXYDFPEY-DOTOQJQBSA-N 263.425 4.572 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(CC)Cc2cccs2)C1 95500539 YJWAVULFTNCQPT-ZMSDIMECSA-N 290.476 4.679 30 10 CJEE Cc1ccc(SC2(C#N)CC(c3ccccc3)C2)cc1 97331469 MGHAGNGKJILEIO-UHFFFAOYSA-N 279.408 4.927 30 10 CJEE Cc1ccc(C)c(N/C=C\C(=O)c2ccc(C)c(C)c2)c1 103030568 DYBQVECRABFYFZ-KTKRTIGZSA-N 279.383 4.729 30 10 CJEE CCCCCCC[C@@H](NC)c1nc2c(s1)CCCC2 104441067 LVQVQNSTBSPUIK-CQSZACIVSA-N 280.481 4.643 30 10 CJEE C[C@H](CCC#N)c1ccc(OCc2ccccc2)cc1 107579132 PDQHQPFWHKXXIR-OAHLLOKOSA-N 265.356 4.673 30 10 CJEE CCCCCCCCCCN1CCC[C@](CC)(C(=O)O)C1 109053122 XRNJBZQHPQOGIE-SFHVURJKSA-N 297.483 4.704 30 10 CJEE CCCCCCC[C@H](O)c1ccc2c(c1)CCCC2 109782574 FCYMTYDBLCLKEM-SFHVURJKSA-N 260.421 4.959 30 10 CJEE CCCCCCCO[C@@H](c1ccc(Cl)cc1)[C@@H](C)N 109987464 DGXNBWHBKHICDU-CZUORRHYSA-N 283.843 4.715 30 10 CJEE CCCCCCCCCCCCN1CCC(=O)CC1 110297407 WZVYCZUGMPLZRI-UHFFFAOYSA-N 267.457 4.572 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@]1(C)C1CC1 114061273 AXRLNEJGTIVLHT-LJQANCHMSA-N 294.527 4.590 30 10 CJEE CCCCCCCN1C[C@H](C(C)(C)C)NC[C@@H]1[C@@H](C)CC 114349107 VHXSOFIWHGLARZ-RCCFBDPRSA-N 296.543 4.691 30 10 CJEE CCCCCCCCCN1CC2(CCCC2)NCC1(C)C 115243861 SGVHGOKREAFNSP-UHFFFAOYSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@@H](N)C(C)(C)N(CC)CC 118141301 JZKAMHYZRIOWQM-QGZVFWFLSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@H](O)[C@](C)(CC)N(CC)CC 118155521 LZQIAFQDYAMNJO-ROUUACIJSA-N 285.516 4.999 30 10 CJEE CCCCCCCCOCc1cccc(Cl)n1 118489277 QSIICLRERGBIMF-UHFFFAOYSA-N 255.789 4.612 30 10 CJEE CCCCCCCC[C@H](CO)c1cccc(F)c1 118857775 CFHZILNFQHKUGQ-OAHLLOKOSA-N 252.373 4.652 30 10 CJEE N#Cc1ccc(Cl)cc1OC[C@H]1CCCc2ccccc21 129058873 HFWUZOAWKXLQSL-OAHLLOKOSA-N 297.785 4.711 30 10 CJEE CCCCCCCC[C@@H](NCC)C1C[C@@H]2CC[C@H](C1)N2C 129321390 QYRPAJAJMPLBNI-XVLXNVKGSA-N 294.527 4.588 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](OCC)C1CC1 130518719 KIHPJHVFNAVFCU-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE Cc1cc(N[C@H](C)c2ccccc2Cl)ccc1C#N 132641630 UMXFNKJHJASLNR-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(C)nc1C 139448776 NNLKSVPJUSAQSC-KRWDZBQOSA-N 262.441 4.839 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cnns1 143500036 ILXLTZCDUYYSRE-AWEZNQCLSA-N 283.485 4.849 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](CCC)OC 158218925 RRQUJYFODWWWFS-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCNc1ccc(C#N)cc1Cl 160989261 NUMHPLCUMYIGKR-UHFFFAOYSA-N 264.800 4.984 30 10 CJEE C=CCCC[C@H](NCC)c1cc(Br)ccc1C 167689802 LVQQCPNRBGXVRT-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCCC[C@H](NCC)c1cc2c(s1)CCCC2 167721866 WRGSKNARIBRUCY-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE C[C@H]1CCCC[C@H]1Nc1ncc(-c2ccccc2)cc1C#N 218492146 YSMDZZKEDXIJNK-KBXCAEBGSA-N 291.398 4.611 30 10 CJEE C=C(C)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC 219914762 ILORSCJZAHDLSS-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CCCC[C@@H](CCC)NC(=O)C(C#N)(CCC)CCC 226029317 ZFQUPAZWIRVPNC-OAHLLOKOSA-N 280.456 4.572 30 10 CJEE C=C(C)CCC(=O)c1ccc(Br)cc1Cl 228693996 DVRMBEDYETXGPC-UHFFFAOYSA-N 287.584 4.642 30 10 CJEE C=CCCCCCOc1ccccc1CNC(C)(C)C 232505694 NJROMPCFOZWWEC-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE C=CCCCCCC(=O)[C@@H]1CCCc2ccccc21 232563337 OMQFEXYFASBTMT-QGZVFWFLSA-N 256.389 4.812 30 10 CJEE CCCCCCCCC[C@H](O)c1ncccc1Cl 232940331 QMJQCBVCVNNPMG-AWEZNQCLSA-N 269.816 4.909 30 10 CJEE C=CCCCCC[C@H](NCC)c1c(F)cccc1F 233542852 NFXQKVDDIQZTHO-HNNXBMFYSA-N 267.363 4.752 30 10 CJEE Cc1cc(OCCCCC(C)(C)C#N)ccc1Cl 235757538 TZBGLGZWUFFCPN-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE CCCCCCC[C@H](CN)N(CCCC)[C@H](C)CC 250837503 VSUJKKRHTFTXHY-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CC(CCc1ccc(O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1)=NO 252472140 MXHGXTLZFHHOGL-PMUMKWKESA-N 289.419 4.673 30 10 CJEE CC(C)c1ccc(C2(CC#N)CC2)cc1Br 260913845 TXEHYAJAEFCHPX-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@H](SCC)C1 300682047 XIZIRUSVAILUPR-JYJNAYRXSA-N 271.514 4.999 30 10 CJEE C[C@@H]1CC=C(C(=O)c2c(Cl)ccc(F)c2F)CC1 306039555 NACXZOYZPXGGQH-MRVPVSSYSA-N 270.706 4.547 30 10 CJEE C[C@@H]1CC[C@@H](n2ccc3cc(C#N)ccc32)C[C@H]1C 311268036 PTOPIUXFBMADCX-XJKCOSOUSA-N 252.361 4.510 30 10 CJEE CC(C)(C#N)CCCCNCC1CCC(C)(C)CC1 311427346 BXNUPQCXOAWHHJ-UHFFFAOYSA-N 264.457 4.512 30 10 CJEE CC(C)(C)C#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 312248459 USBXTQFMYMRPEF-RBSFLKMASA-N 278.436 4.589 30 10 CJEE CC(C)C1CCC(C=O)(Cc2cccc(Cl)c2)CC1 316821135 KKZZRXTXFZNABG-UHFFFAOYSA-N 278.823 4.914 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(F)c(Cl)c2)C1 316883030 RJBUJEFIRCOCML-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CCCC1CCC(C=O)(COCCC(C)(C)C)CC1 316956370 CSHGHAFTVSKVKZ-UHFFFAOYSA-N 268.441 4.615 30 10 CJEE CCCNC[C@]1(CC#CC(C)(C)C)CC[C@@H](CC)C1 318455973 QIAMYZCVVXFICE-SJLPKXTDSA-N 263.469 4.622 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2csc(Cl)c2)C1 378997657 QDANNWZROSNELF-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1sccc1Cl 384869510 ONBXJQBJCQTHEW-MFKMUULPSA-N 253.798 4.664 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CCC2(CCCC2)O1 384879406 QKYRAKVMARQZKF-BZUAXINKSA-N 261.409 4.588 30 10 CJEE CCCCCCCCC[C@H](O)[C@@]1(C#N)CCC[C@@H]1C 385050673 SNKQBZYYBYDPIL-YESZJQIVSA-N 265.441 4.818 30 10 CJEE CCCc1ccccc1N=C1N[C@@H](C2CCCC2)CS1 386229119 JPQCLMVQUYEXOH-MRXNPFEDSA-N 288.460 4.522 30 10 CJEE C#C[C@@H](NCCCCCCC(C)C)c1ccccc1 393226451 SZKAWSMWFCHVGQ-GOSISDBHSA-N 257.421 4.557 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2cc(C(F)F)ccc21 393782907 FFPOIXZGMAPHCE-SNVBAGLBSA-N 282.359 4.790 30 10 CJEE CCN(C[C@H](C#N)C1CCCCC1)c1ccccc1C 397243960 GOXOWTJOFPXBAH-KRWDZBQOSA-N 270.420 4.541 30 10 CJEE C=CCCC[C@H](C)NC[C@@H](c1ccccc1)C(C)C 398204020 XGOVWXMLBJIJPJ-FUHWJXTLSA-N 259.437 4.761 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](C#N)Nc1cccc(C)c1 401490684 GLTHALQPLCMMER-OIISXLGYSA-N 256.393 4.516 30 10 CJEE CCCCCCCC(=O)[C@H](CC)CC(F)(F)F 402567610 NFXKSZSKEZGXLV-LLVKDONJSA-N 252.320 4.895 30 10 CJEE CC[C@H](CNc1ccc(Cl)cc1C#N)CC(F)(F)F 402652198 HGVJPMJHVJGCNW-VIFPVBQESA-N 290.716 4.602 30 10 CJEE C[C@](C=O)(CC/C=C\c1ccccc1)c1ccccc1 405605420 LJCWSLOPJUZFHS-KEEQEYLASA-N 264.368 4.637 30 10 CJEE C=C(C)CCN(C)[C@H](C)c1sc(C(C)C)nc1C 508967042 KOXZSQYTQLIPQV-CYBMUJFWSA-N 266.454 4.534 30 10 CJEE C=CCC(CC=C)C(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 561274563 FGGXWMFRFJTTAB-QFBILLFUSA-N 297.442 4.755 30 10 CJEE Cc1cc(C(F)(F)F)cc(C(F)F)c1C(F)(F)F 575340836 MSNLLYIUCNHPER-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 686678998 WBBDLSWJOPILMX-CYBMUJFWSA-N 298.257 4.708 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](CC)CC(F)(F)F 692221585 RNFCOWMSOBVKLW-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE CCC(C)(C)[C@@H](C)n1c(=S)[nH]c2c(C#N)cccc21 695572684 QEFZRGSMLKRVRN-SNVBAGLBSA-N 273.405 4.568 30 10 CJEE C=CCCCCC[C@@H](CC1(CSC)CC1)NCC 696057283 GJTBAZHLYCTZJG-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE CC(C)C1CCC(C#N)(CCOC2CCCC2)CC1 701401541 ROETXGDAZGKVDO-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C=CC(C)(C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] 701892443 XXCAPPBQFKBIBB-UHFFFAOYSA-N 284.306 4.547 30 10 CJEE CCCCCCCn1c(S)nc2cccc(Cl)c21 703732878 FQNAMRJPUUZPQA-UHFFFAOYSA-N 282.840 4.949 30 10 CJEE C=CCCC[C@@H](NCCC)c1cccc2cnccc12 705714472 SSUVZZSBVUBVCE-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cn(C)c(C)n1 706276253 MEUDONJINLLXFS-MRXNPFEDSA-N 279.472 4.520 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 709121425 DBBBGYSQSMAGKH-CMPLNLGQSA-N 298.213 4.852 30 10 CJEE C[C@H](CC1CCC1)/N=C1/NC2(CCCCCCC2)CS1 713287862 ZPIKCPWTOGUHSN-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@@H]1CCCc2ccccc21 715746749 DWQJQFPRJBCPBY-KFKAGJAMSA-N 271.448 4.687 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)cc(C)cc1C 715792659 DOTLALMOVIYJMC-KDOFPFPSSA-N 259.437 4.865 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cc2c(s1)CCCC2 715812699 HNUCYDMWMCZTEE-CXAGYDPISA-N 277.477 4.880 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCCC(C)(C)[C@H]1NCC 719290772 TYOZQNKXBNRFMA-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE C=C1CCC(C[C@H](NCC)c2c(C)oc(C)c2C)CC1 724557464 FCBACVZRVHYKEO-KRWDZBQOSA-N 275.436 4.992 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CSc3ccccc32)CC1 724589481 GZVSVBLUBOBULW-HNNXBMFYSA-N 272.413 4.582 30 10 CJEE C=C1CCC(C[C@H](N)[C@H](C)Oc2cccc(Cl)c2)CC1 724618494 QZCDZRORVDPHID-GUYCJALGSA-N 293.838 4.571 30 10 CJEE N#CCc1csc2c(C(F)(F)F)c(C(F)F)ccc12 725277650 YUCSXSSPERLKIZ-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE C=C[C@H](C)ON=C(CCC(F)(F)F)CCC(F)(F)F 853369946 XAHDLCLIUSRHCC-QMMMGPOBSA-N 291.235 4.619 30 10 CJEE CCCCCCCCC(=O)NCC1(c2ccccc2)CC1 1124668524 GAYBOEIQKKEGTR-UHFFFAOYSA-N 287.447 4.585 30 10 CJEE C=CCOCCN(CC1CCCCC1)CC1CCCCC1 1167158368 UCUVHJKZPYJDKW-UHFFFAOYSA-N 293.495 4.652 30 10 CJEE C=CCCCCN[C@@H](Cc1ccccc1)c1cccs1 1169110407 AFUHSMGBZOSBDF-KRWDZBQOSA-N 285.456 4.978 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cnc(CC(C)C)s1 1179143121 SWOHGCRMMNXBSI-GDBMZVCRSA-N 292.492 4.566 30 10 CJEE C#CCCCCCCN1C[C@@H](C)Oc2c(Cl)cccc21 1194189153 CAKWORMPIBBGKJ-CQSZACIVSA-N 291.822 4.511 30 10 CJEE C=CC[C@@H]1CCCN([C@H](C)c2cccc(Cl)c2)C1 1195947221 RIJKZYUYWBWNPU-ZIAGYGMSSA-N 263.812 4.689 30 10 CJEE C=CCC1(NCCC2(C#N)CCCCC2)CCCCC1 1196952093 CCWSZJZBWBDTIO-UHFFFAOYSA-N 274.452 4.719 30 10 CJEE C=CCCc1ccccc1NCc1ccc2c(c1)CCC2 1202127568 VQKFIQHYYWAOAW-UHFFFAOYSA-N 277.411 4.906 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccccc1 1266420586 FEHZSVLWIKKPIP-NXHRZFHOSA-N 285.431 4.636 30 10 CJEE C=CC[C@@H]1N(CCCCOC(C)(C)C)CCCC1(C)C 1307730456 ZXPDHBFTAXDRSU-INIZCTEOSA-N 281.484 4.648 30 10 CJEE C=CCCC(C)(C)N[C@@H](C)c1nccc2ccccc12 1308877520 UWGAQYDRPLWWTI-AWEZNQCLSA-N 268.404 4.630 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCC(C)(C)C=C 1310624210 KHHOLSWADJFPQN-UHFFFAOYSA-N 286.419 4.529 30 10 CJEE C=CCCC[C@H](C(=O)NCc1ccsc1)c1ccccc1 1356414807 XZAKLNUCLYLWOE-KRWDZBQOSA-N 299.439 4.504 30 10 CJEE C=C1CCC(C(=O)Nc2cc(SC)ccc2Cl)CC1 1437610774 SUODJJQOIDWKPA-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 1456801773 NEONGXANLYTFDL-APWZRJJASA-N 299.458 4.897 30 10 CJEE N#Cc1c(F)cccc1NC[C@H]1CCC[C@H]1c1ccccc1 1458403408 FTFFDEOVEOWSFI-CVEARBPZSA-N 294.373 4.693 30 10 CJEE C=CCCCN(CC(C)C)c1ccccc1Cl 1460631756 UFNHIWKZKUBFCK-UHFFFAOYSA-N 251.801 4.769 30 10 CJEE C=CCCCCCCCNC(=O)[C@H]1CCCC2(CC2)C1 1460674384 NUFBVEZUICTQFD-INIZCTEOSA-N 277.452 4.600 30 10 CJEE C#Cc1ccc(NC(=O)CCC2CCCCC2)c(Cl)c1 1463160554 LNELJQVGXXFINR-UHFFFAOYSA-N 289.806 4.620 30 10 CJEE C=CCCCCCCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 1468826889 UJUJFDRXWAWKSE-BRWVUGGUSA-N 294.483 4.637 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(CCC)s1 1474231043 KUKJNFAMVYKYQP-UHFFFAOYSA-N 265.466 4.783 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cccc(C(F)F)c1Cl 1521551497 BGSBHBUVOXJHNK-VIFPVBQESA-N 287.737 4.818 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCC[C@H](C)C2)CCCCC1 1526278002 STFUCNNTOSUAQA-JKSUJKDBSA-N 277.452 4.550 30 10 CJEE C=CC1(CC(=O)N(CC)[C@@H]2CCCC[C@@H]2C)CCCCC1 1529733151 RSSRDKVSTQUNDL-DLBZAZTESA-N 291.479 4.940 30 10 CJEE C=C1CCC(CNC(=O)c2ccc([C@H](C)CC)cc2)CC1 1537408071 HKYDPBBGNGREKH-OAHLLOKOSA-N 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2196713625 BREZXRCOEOVXFJ-UHFFFAOYSA-N 276.468 4.781 30 10 CJEE CCCCCCCCN(C)[C@H]1CCCCCC[C@H]1NC 2196737291 AKGNESBXBXLRRK-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1c(C)cccc1F 2196795972 IQYZYFKCSRQOFS-MRXNPFEDSA-N 275.411 4.614 30 10 CJEE C#CC[C@@H](CCC[C@@H](NCC)c1ccccc1)C1CC1 2196853785 KCINUEPDRYMHBO-QFBILLFUSA-N 269.432 4.557 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]2C2CCC2)CCc2ccccc2C1 2199950992 OATCBGNORXHXKO-GBESFXJTSA-N 265.400 4.512 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@@H]2c2ccccc2)C1 2200380284 DFWCCAYWEQLQMY-LMMKCTJWSA-N 270.416 4.966 30 10 CJEE CCCCCCC[C@H](O)[C@@H](NC)c1ccc(Cl)c(C)c1 2200818676 ZPNDQSPNDXBQSP-IRXDYDNUSA-N 297.870 4.630 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@H](C)c1ccccc1 2203784684 FMTGXOGTMHYARH-MJGOQNOKSA-N 271.448 4.742 30 10 CJEE CCCCC#CCN(CC)c1cccc2ccccc12 2203861488 HIVZMFGUEAVCBF-UHFFFAOYSA-N 265.400 4.860 30 10 CJEE C=CCCCCCCOc1ccc(CCC(C)=O)cc1 2206896119 AQMYTTVNTWPEKF-UHFFFAOYSA-N 274.404 4.724 30 10 CJEE C=CCCCCCCCCN1CCC[C@H](OC(C)C)C1 2207375040 SDOPVPDKLWMAFQ-SFHVURJKSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1ccc(CC)o1 2207397916 WXYMSUCQWCZDNZ-MRXNPFEDSA-N 278.440 4.653 30 10 CJEE C=CCCCCCCCC[C@H](CC1(OC)CCC1)NC 2207402858 FNISXNYPFWWCNJ-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCO[C@H]1CCCCC[C@@H]1NC 2207404307 MYOXPPQOSLUURG-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@H](N)CC1CC(OCC)C1 2207405922 USKVQDDTSZZWOH-ADKAHSJRSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H](O)CC(C)(C)CC 2207410114 PJAKXJNCFZVTSO-IAGOWNOFSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccnn1CC 2207431658 HNTJCRKFNNJNJT-KRWDZBQOSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C12CC(CCO1)C2 2207435224 ICRJTJQNWQYZRZ-LXPRWKDFSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@@H]1C[C@@H]2C[C@@H]2C1 2207437591 OMSPHYUMJYZNLO-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE CCCCCCCC[C@H](O)C(=O)CC12CCC(CC1)C2 2207454478 VTOQGVQGVNVXGL-PQUAAJSLSA-N 280.452 4.637 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H](O)CCCCCCCC 2207459851 XFPYUDXKEQECJV-KSZLIROESA-N 283.500 4.678 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)[C@@H]1CCC[C@@H](CC)C1 2207459881 XKSXCRREFMIOLP-ZJPYXAASSA-N 283.500 4.642 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ncc(Cl)s2)CC1 2216090570 UPUNFKTZAGFBTN-ZDUSSCGKSA-N 268.813 4.548 30 10 CJEE N#Cc1cccc(CSCCCCCC2CC2)c1 2220025553 PUJBVVUHCAPVAA-UHFFFAOYSA-N 259.418 4.762 30 10 CJEE C=CCCCCCCC[S@@](=N)(=O)CC1CCCC1 2220289759 CPDZICNQRSUYQA-GOSISDBHSA-N 271.470 4.750 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H](F)C1CCC1 2220869260 OUEFMIJZGACEMR-JKSUJKDBSA-N 256.405 4.792 30 10 CJEE CC1=CC[C@@](C)(Nc2ccc(C#N)c(Cl)c2)CC1 2221608405 ZJWJWULMKKDCHH-OAHLLOKOSA-N 260.768 4.512 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H](F)C1CCCC1 2222406835 GGDAJWOSSXXLEF-ZBFHGGJFSA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CCS[C@H](C)C1 2223852099 FBBMEBDGLHTSCU-XHSDSOJGSA-N 271.514 4.999 30 10 CJEE CCCCCCCC[C@H](C)NCc1ncc(C)s1 2223868886 WWIDFMRTQCXKAL-ZDUSSCGKSA-N 268.470 4.680 30 10 CJEE O=CC1(C[C@H]2CC[C@H]2C(F)(F)F)CCC2(CC1)CC2 2224486388 RRYJABHZCSRCQQ-VXGBXAGGSA-N 274.326 4.505 30 10 CJEE CCC(C)(C)CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225691307 YTFOHYTUPMAFEQ-GFCCVEGCSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1C(C)(F)F 2227269138 WJWHTIHPOCQXCP-ILXRZTDVSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCOc1ccc([C@H](C)N)cc1 2227281955 IPAPQWGSKWVBTI-HNNXBMFYSA-N 261.409 4.612 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1(C)CC(F)(F)C1 2227284227 QGUHQAKEJQIMHA-CQSZACIVSA-N 273.411 4.927 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1sc(C)c(C)c1C 2228580202 QKQDCVMKOXANLK-HNNXBMFYSA-N 277.477 4.764 30 10 CJEE N#Cc1ncccc1CSCCCCCCC1CC1 2230901473 UNEWPHPMCDHPIY-UHFFFAOYSA-N 274.433 4.547 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@@H]1CNC(C)C 2230991598 FNRODWROOXGOEV-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCOC[C@H](CC(C)C)NC 2231026049 PZDCAHHAAMSXMG-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CCC(C)(C)C 2231946655 RJYUFOHAUVUEBN-DOTOQJQBSA-N 271.489 4.642 30 10 CJEE C[C@H]1CC(=O)C=C(C[C@@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)C1 2233723443 ZXROTYBMCBHMGU-REBRKWNGSA-N 282.374 4.764 30 10 CJEE CCCN[C@](C)(C#N)C[C@@H](C)SCCCCCC1CC1 2235461116 CHYCATHIHKLCNJ-WBVHZDCISA-N 296.524 4.750 30 10 CJEE C=CCCCCCCC[C@H](NN)c1ccccc1CC 2235531787 CYGCNHCLTSXGEW-SFHVURJKSA-N 274.452 4.670 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CCCOC1 2235538329 HTOWZQRWGGAQGC-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@@H](C(C)(C)C)C2)cc1C#N 2238151918 UIXGUWHCVQWQEF-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCCCCCCC[C@](C)(O)c1cc(OC)ccc1C 2240627349 SHLHSJVHPKFQKY-SFHVURJKSA-N 278.436 4.962 30 10 CJEE C=C([C@@H](NCCC)[C@H](C)c1ccc(C)cc1)C(F)(F)F 2240824849 ITUBJQYJOWTHQB-DOMZBBRYSA-N 285.353 4.585 30 10 CJEE CCCCCCCCCCN1C[C@H](O)CC12CCCC2 2241034566 LNPQDRJTVKWYEZ-QGZVFWFLSA-N 281.484 4.507 30 10 CJEE CCCCCCCCC[C@](C)(CO)NCc1ccccc1 2242457964 IZCONXUJZJVWCG-LJQANCHMSA-N 291.479 4.668 30 10 CJEE C=CCCCCCCC(=O)c1cocc1Br 2244222382 MHARNEWDZHPMES-UHFFFAOYSA-N 285.181 4.751 30 10 CJEE C=C1C[C@@H]1C[C@@H](N)c1cc(Br)cc(C(C)C)c1 2247250160 HEXZIAVFOAYFHF-IUODEOHRSA-N 294.236 4.539 30 10 CJEE N[C@H](CC#CC1CCCC1)c1scc(Cl)c1Cl 2251493849 BJWPAWLCHDKJQS-LLVKDONJSA-N 288.243 4.638 30 10 CJEE CCCC1(CCC)CC(C#N)(c2csnc2C)C1 2258881657 IHANZPLSIHIUKJ-UHFFFAOYSA-N 262.422 4.593 30 10 CJEE C=CCCCCCCCSC[C@@H](NC)[C@@H](C)CC 2259049031 MPZDPMDYXOBARA-JKSUJKDBSA-N 271.514 4.880 30 10 CJEE C=C(C)CCCC[C@@H]1CC(F)(F)C[C@H]1NCCC 2259206936 TUZAUVOCIRSFMT-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H]1CC1(C)C)NCCC 2259238538 INVDGIRNIURJAF-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC2C[C@@H]3C1[C@@H]3C2 2264466977 VVKLMWUTKJNYSQ-MWOZMSIYSA-N 262.437 4.700 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)C1(C)CC(C(F)(F)F)C1 2264529013 OEGSPHCNSZUCGB-RJZJGCCBSA-N 277.374 4.545 30 10 CJEE C[C@@](C#N)(CC[C@H]1CCCC12CC2)c1ccccc1 2266597875 UFSMCCUJRRQAHR-SJORKVTESA-N 253.389 4.828 30 10 CJEE CCCCCCCCCC[C@@]1(CO)C[C@]1(C)COC 2269289682 NZNYHEIELKRTBX-SJORKVTESA-N 270.457 4.552 30 10 CJEE C=CC[C@@H]1CCCCN(CCCCC[C@H]2C[C@@H]2C)C1 2269443872 PCZIZBIQHYCKSB-KSZLIROESA-N 263.469 4.881 30 10 CJEE C=CC1(CNCCCCC[C@@H]2C[C@H]2C)CCCCC1 2269475891 WHMYTPMRKXTZBF-IAGOWNOFSA-N 263.469 4.929 30 10 CJEE CCN[C@@H](CC#CC1CC1)c1cc(Cl)c(Cl)cc1C 2270973200 IQZRLOJBPIEDAF-INIZCTEOSA-N 296.241 4.756 30 10 CJEE C=C(C)CCCC[C@@]1(N)CCCCC[C@H]1C(F)(F)F 2271778113 SJDWABIMGYDZCJ-KGLIPLIRSA-N 277.374 4.963 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@](C)(F)C(C)(C)F 2271796226 DMIRTVJPKMQLHC-GDBMZVCRSA-N 275.427 4.967 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H](CC)CC(C)C 2273963644 BJYLGWPYLKRIPB-ROUUACIJSA-N 263.469 4.621 30 10 CJEE CCC[C@@H]1CCC[C@@](O)(C#CC2CCCCC2)CC1 2274053258 OZJIHGYSWJEHAX-AEFFLSMTSA-N 262.437 4.682 30 10 CJEE O=C(CC#CC1CCCC1)Cc1cccc(Cl)c1Cl 2274134617 BCLXIFCBTWWIER-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2cscc2Cl)CC1 2277033322 BTPYFGYKKHYKAO-OAHLLOKOSA-N 299.867 4.554 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H](C)C(C)(C)C 2277360945 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CCCN[C@H](CC#CC1CCCC1)[C@@H]1CCC2(CC2)C1 2289878822 CDKGDHQEBNKGQO-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CC1(C)CCC(C)(C)[C@H](NCC2(C#N)CCCCC2)C1 2290318506 DEQREBYETFNYRC-OAHLLOKOSA-N 276.468 4.655 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H]1C[C@@H]1CCC 2290627043 KCXYOOJIWSRBAL-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=C(C)CCC1(OCCC(=O)O)CC(CCCCC)C1 2291446982 RJONTLMMLSKBDY-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCCC(C)(C)C1 2293194382 NSZIYMNSQVIEMT-SJORKVTESA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCC(C)(C)C[C@H]1C 2293267776 CCDJTNVKEHHULN-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@](C)(CCCC(F)F)OCCN 2293603572 DQLKLMZTHDBYJS-INIZCTEOSA-N 293.442 4.906 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1CC12CCCC2 2293681583 APKJVWDDTLGTMG-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@@H](OCCCN)C12CCC(CC1)C2 2293684373 LANPUXMKDMSBLJ-LXPRWKDFSA-N 281.484 4.661 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCC[C@H](CC(C)C)C1 2294257685 UXGCGRDBQKMEMZ-SJLPKXTDSA-N 281.484 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CCCCCCCCCOc1ccc([N+](=O)[O-])cc1C=O 59272050 KAUABIMOZNXZLF-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)cc2Cl)cc1 62791105 MFSVELVBWHRTIO-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE C=C(C)CN(CC)c1ccc([C@@H](C)NCCC)c(Cl)c1 78902910 KJFISGYOLVYHJJ-CQSZACIVSA-N 294.870 4.803 30 10 CJEE CC(C)(C)c1nc(Cc2cccc(Cl)c2)sc1C#N 82439151 YTJAILQLBHWREC-UHFFFAOYSA-N 290.819 4.556 30 10 CJEE CC[C@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 88191303 RYTIJPBUECVYKU-JQWIXIFHSA-N 282.309 4.568 30 10 CJEE CC[C@H](C)c1ccccc1OC[C@@H](CS)C(C)C 94583220 KZFOWFAJIIFPOE-KBPBESRZSA-N 266.450 4.781 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)C2CCCC2)C1 94848704 FYSPRBMULBCRNL-ZIFCJYIRSA-N 290.495 4.996 30 10 CJEE FC(F)(F)c1cnn(CCCCCCCCCS)c1 97799962 QFHABKQWRISBSN-UHFFFAOYSA-N 294.386 4.562 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1C[C@@H](C)CS 107616261 JOPDIMKXRYLQLE-CQSZACIVSA-N 286.440 4.682 30 10 CJEE CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Nc1ccc(C#N)c(Cl)c1)C2 109772273 MVRXGVSWLPPBAO-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE CCCCCCCCN[C@@H](C)COc1ccc(C)cc1 109922810 ABJMHYOUWAOYCL-KRWDZBQOSA-N 277.452 4.712 30 10 CJEE CCCCCCCCCCCCN(C)C[C@@H](C)C(=O)OC 110046472 YYQRGCSJWMSDQM-QGZVFWFLSA-N 299.499 4.648 30 10 CJEE CCCCCCCCOCc1cccc(CNCC)c1 110171129 VHGXOROYHBNIHD-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)c2cccc(C)c2)C1 110263387 HPAZZQVUNJHEFU-ZIFCJYIRSA-N 284.447 4.930 30 10 CJEE C#CCC[C@H](NCCC)C1(c2ccccc2)CCCCC1 110923912 NZZIVFFLEOOADU-IBGZPJMESA-N 283.459 4.670 30 10 CJEE CCCCCCCC(=O)c1ccc(N)c(Br)c1 112351755 OERHKACKOGMDSS-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE CCCCCCC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 114877065 AHXDFEMOGFKLMZ-CHWSQXEVSA-N 266.347 4.831 30 10 CJEE CCCCCCC[C@H](CNC1CC1)c1ccccc1 115075043 FZMDZOXSGAULFH-QGZVFWFLSA-N 259.437 4.883 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCC)[C@@]1(C)CC 117341486 OKPKQKXPCUEPSM-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)OCC 123779313 RQZYLCHGSRDIQC-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc2c(s1)CCC2 125685705 TUKVCSWJJDBGHZ-CQSZACIVSA-N 263.450 4.634 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1c(F)ccc(C)c1F 125754036 BHXUKSBMBRKYSZ-CQSZACIVSA-N 267.363 4.670 30 10 CJEE CCCCCCCCO[C@H]1CCC[C@@H](NCCC)C1 129573796 SDRFJXLSAROEIR-SJORKVTESA-N 269.473 4.674 30 10 CJEE CC1CCC(C#N)([C@H](O)C2CCC(C(C)(C)C)CC2)CC1 130332327 GALLJRMHJAJSLT-YMVOSSCXSA-N 291.479 4.920 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccc(COC)o1 133002901 IHLZPFBABWDDJB-MRXNPFEDSA-N 281.440 4.827 30 10 CJEE C[C@@H](CCCC(F)(F)F)Nc1cc(Cl)ccc1C#N 163269166 YHJCLYRVPKYLRM-VIFPVBQESA-N 290.716 4.745 30 10 CJEE C#CCC[C@@H](CCCCCCCCC)NCCC 165973661 NWJVRPLXIOHRRU-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C#CCCC[C@H](NCCC)C1(OCC)CCC(C)(C)CC1 166724324 AZKMYSRWHDTTGU-KRWDZBQOSA-N 293.495 4.534 30 10 CJEE CCCCCCC[S@@](=O)Cc1nc2ccccc2s1 178043972 JSIZTGASUOIPJK-LJQANCHMSA-N 295.473 4.515 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2ccnc2C(C)C)C1 222234150 UKQHVVVQIPXHDE-XHSDSOJGSA-N 287.451 4.924 30 10 CJEE 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C=C(CC)C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 251257420 XIVWQJLDDZFISW-MGPQQGTHSA-N 252.398 4.506 30 10 CJEE Cc1nc2cc(N=Cc3c[nH]c4ccccc34)ccc2s1 254616337 NQFNPSDXLYTPHR-UHFFFAOYSA-N 291.379 4.837 30 10 CJEE C[C@@H](C#N)c1cc2cc(C(F)(F)F)ccc2s1 259907842 BWWVYUWIEVMXIV-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE Cc1cc([C@H](C)C#N)cc(C)c1OCc1ccccc1 260186263 KJAKVCMBOQTAIW-OAHLLOKOSA-N 265.356 4.510 30 10 CJEE N#C[C@@H](c1c(F)cccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 302334828 ILRFSGLVWKZTHC-NNYUYHANSA-N 263.743 4.522 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 311674346 ZAFOUBCJESGUOR-NSHDSACASA-N 296.197 4.750 30 10 CJEE CC[C@H](C)[C@H](C(=O)CC#CC(C)(C)C)c1ccccc1 312224980 HBJOJKGKHMCJEN-YJBOKZPZSA-N 270.416 4.825 30 10 CJEE CCC1CCC(C#N)(c2ccc(Cl)cc2[N+](=O)[O-])CC1 312311144 VPUKZAFHTIYESM-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE CCCCCCC[C@]1(CNC)CCc2ccccc2C1 316879780 BDBSEWXCNFDRNH-IBGZPJMESA-N 273.464 4.742 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)C2CCC(C(C)C)CC2)C1 380362073 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PMDTYTDABLHTCY-AWEZNQCLSA-N 285.774 4.507 30 10 CJEE COc1ccc([C@H](C#N)Cc2cc(C)ccc2C)cc1Cl 57760104 SMWOFAOWDCYOFN-INIZCTEOSA-N 299.801 4.815 30 10 CJEE CCCCCCCOC[C@@H](N)c1ccc(C(C)C)cc1 59083296 SOUYDIUQXAKBBW-GOSISDBHSA-N 277.452 4.797 30 10 CJEE N#C[C@@H](C(=O)c1coc2ccccc12)c1cccc(Cl)c1 70392286 PAYSVONWIHQKIT-CQSZACIVSA-N 295.725 4.576 30 10 CJEE CCc1sc(-c2cc(C)ccc2C)cc1CC#N 77096483 KUQQNRZGCOCDSK-UHFFFAOYSA-N 255.386 4.660 30 10 CJEE Cc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cc1 83204719 BFRGHQYGEBYBBL-MDWZMJQESA-N 294.394 4.926 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccc(Cl)s2)C1 83776175 MSNBPGPEYHIZNI-ZWNOBZJWSA-N 253.798 4.664 30 10 CJEE CCC1CCC(C#N)([C@@]2(O)C[C@H](C)CC(C)(C)C2)CC1 91875942 OYBWAHZFFPONJT-VSVYTNTFSA-N 277.452 4.674 30 10 CJEE SCC1(CN2CCC[C@H]2C2CCCC2)CCCCCC1 94580419 LXPOVKOFXYUEGJ-KRWDZBQOSA-N 295.536 4.911 30 10 CJEE COc1cc(C)c(CCCCC#N)cc1C(C)(C)C 98130522 HHIOIOKMVQSMIK-UHFFFAOYSA-N 259.393 4.538 30 10 CJEE CCCCCCCNCc1ccc(OCC)c(Cl)c1 102554248 YAKDFHWXTOBKGP-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCC[C@@](C)(C#N)NC1CCCCC1 103080550 CXLJSMRRQNHTOP-INIZCTEOSA-N 250.430 4.551 30 10 CJEE CCCCCCCN1CCCc2cc(NCC)ccc21 107014761 IPLVYUDEEVJEDV-UHFFFAOYSA-N 274.452 4.841 30 10 CJEE CC#C[C@@H](C)Cc1ccc(OCCC)c(C(C)C)c1 107597891 IKOOOLUTQNMFJJ-OAHLLOKOSA-N 258.405 4.801 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](O)c1ccc(C)cc1 110023404 HWTMMUKCRWZFME-SJLPKXTDSA-N 278.436 4.794 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C#N 110261962 UAWDKOUWNLUJKC-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE CCCCCCCOc1ccc(C)cc1CNC(C)C 112993570 AYYFRPVURRCPAL-UHFFFAOYSA-N 277.452 4.842 30 10 CJEE CCCCCCCCN1CC(CC)(CC)NC[C@@]1(C)CC 114071844 BRKWBTQCRRWGIQ-GOSISDBHSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC(=O)c1ccc2nccnc2c1 114195721 JTARYVNJZOOHLV-UHFFFAOYSA-N 270.376 4.563 30 10 CJEE CCCCCCCCCC[C@@]1(N)COc2ccccc2C1 115851441 HLDRQNNDYCZNPP-IBGZPJMESA-N 289.463 4.850 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](NCC)C1(CC)CC 117341646 ZFWKHTSFPDJZQJ-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@@H](NCC)C(CC)(CC)N(C)C 118168874 FJWUVPMJTLZTIN-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)c1cncs1 129902345 MSPRTNMSXUZWMO-OAHLLOKOSA-N 297.512 4.959 30 10 CJEE CC[C@H](Nc1ccc(C#N)c(C)c1)C1CCCCC1 132660604 NZNXDLMIGFHSTO-KRWDZBQOSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCC[C@@H]1CSC[C@H]1NCC 134607477 KSSVFPDLZNTIRU-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CCCCCCCCNC1CC(C#N)(c2ccccc2)C1 159145605 UGEVWTPWKJKYQD-UHFFFAOYSA-N 284.447 4.560 30 10 CJEE C=C[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 159766218 CCMNXKDNDIAVLK-GJZGRUSLSA-N 251.373 4.579 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 164695684 ODFCPLVJNSVOMM-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnccc1C 168019003 HZFVCJQKACCCTB-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCCCN[C@H](C)C[C@H](C)O 228105483 RJHVMDHRBMJSEE-SJORKVTESA-N 271.489 4.656 30 10 CJEE Cc1ccc(Cl)c(N[C@H](CC#N)c2ccccc2)c1 232243708 RFKMJKYQTAHHDZ-OAHLLOKOSA-N 270.763 4.715 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCO[C@@H]1C 232936989 FEPGRYHNXLLZFG-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCn1ccc2c(C#N)cccc21 232941733 MLIGLLIIHTUULX-UHFFFAOYSA-N 254.377 4.873 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)c2ccccc2n1 235750200 ZKCBHAITUBDNJQ-SFHVURJKSA-N 269.388 4.713 30 10 CJEE C=CCCCCCNc1cc(C)ccc1Br 235766893 IHYLIFCYUMENSF-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CCCCCCC[C@]1(CNCC)C[C@H]2CC[C@H]1C2 250831799 RSCNUJCLINTRRB-YESZJQIVSA-N 251.458 4.763 30 10 CJEE C[C@H](CCS)CCO[C@@H]1C[C@H](C)CC(C)(C)C1 252201653 WKNVZFLHXFYISK-MELADBBJSA-N 258.471 4.564 30 10 CJEE Cc1ccc(S[C@H]2CCCCCCC2=NO)cc1 254593892 VUKJJKWKXOXRDX-HNNXBMFYSA-N 263.406 4.640 30 10 CJEE CC[C@@H](C)c1ccc(C[C@@H](C)C#N)cc1Br 260552168 OHXVFZKGKDVPCD-GHMZBOCLSA-N 280.209 4.665 30 10 CJEE Cc1ccc(C(C)(C)F)cc1C1(C#N)CCCCC1 260636269 QRJFKGHISNFLDA-UHFFFAOYSA-N 259.368 4.925 30 10 CJEE CCCC1CCC(C#N)(CCc2ccccn2)CC1 311386406 PHAUUZOCWRRADN-UHFFFAOYSA-N 256.393 4.514 30 10 CJEE C=CCCCCN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 312437953 BFIXZPBGWDZZLT-NZSAHSFTSA-N 271.448 4.905 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@H](OCC)C1(C)C 378656010 ASTWRSROALUCLQ-JYJNAYRXSA-N 270.457 4.549 30 10 CJEE CC(C)CNC[C@@H]1CC[C@@H](C)C[C@@H]1CC#CC(C)(C)C 379871730 DZCADFOPNWEPCH-SQNIBIBYSA-N 277.496 4.724 30 10 CJEE CC(C)(C)C#CC[C@@H]1CC(C)(C)CC[C@@H]1CNC1CC1 383463388 OKXMHPOUFNLNNG-HZPDHXFCSA-N 275.480 4.621 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(c2nccc3ccsc23)C1 388789446 NZBAVHQKSHCHST-BLLLJJGKSA-N 270.401 4.658 30 10 CJEE CCCCCCCCCC[C@@H](CCN1CCCC1)NC 395885937 XGEJZSQMYNHKPW-SFHVURJKSA-N 282.516 4.591 30 10 CJEE N#CCc1cc2scc(Cl)c2cc1C(F)F 396183695 ACPYQGFEWOWTKE-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#CCc1ccc(C(F)F)c2cc(Cl)sc12 396186025 FOSGYOOVPNCZSK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCC[C@@H](CCC[C@@H]1CCOC1)NC 400978718 SXBUADCUZDCYRR-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CC[C@H](CNCCC)C[C@@H](CC)CC(F)(F)F 402552457 GPUFQQWAFRRONC-OLZOCXBDSA-N 265.363 4.547 30 10 CJEE CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)c1cccs1 512665910 IAPDDGKCDLJFKL-NHYWBVRUSA-N 288.391 4.561 30 10 CJEE Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 512666599 LIGDCVMOGPCYFB-HUUCEWRRSA-N 296.389 4.726 30 10 CJEE N#CCc1cc(F)ccc1-c1cccc(C(F)(F)F)c1 514262952 FIQHTLYVZJBNCW-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C=CCC[C@H](NCCc1cccc2[nH]ccc12)c1ccco1 517722983 LYJWNHOKTXWCNG-SFHVURJKSA-N 294.398 4.601 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@@H]2CCCCO2)C1 688343494 YCFMSMWCHMJPRZ-AWEZNQCLSA-N 263.425 4.692 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)CCCC(C)C)C[C@@H](C1)C2 697307693 XRMRZHVSGPKNOK-XNHLSEOASA-N 263.469 4.926 30 10 CJEE CCCCCCCN[C@H](c1cccs1)C1CC1 703747689 HFRQJVJIRLHKPC-HNNXBMFYSA-N 251.439 4.759 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 704020743 BAHZTQRJJBQLOH-DAYGRLMNSA-N 263.469 4.783 30 10 CJEE C[C@H]1C[C@H](NCCCCC(C)(C)C#N)CC(C)(C)C1 708352137 FAIIQMNJCSEHME-GJZGRUSLSA-N 264.457 4.511 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 710614068 KLRGJZIQXSJSIH-UPJWGTAASA-N 297.792 4.866 30 10 CJEE CCCCCCCCCCn1cc2ccc(N)cc2n1 722800259 QPXKWENQAMUINH-UHFFFAOYSA-N 273.424 4.759 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@H]2COCC[C@H]2C1 723608394 ORILWWIPXPGGEQ-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CCCCCCCC1(CNCCC)C[C@H](C)O[C@@H](C)C1 724292516 QZDCGBKGOCLEGY-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CSc1cccc2c(C(F)F)c(CC#N)sc12 725296416 XESAWONXZZWXCX-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE Cc1ccccc1C#Cc1cc(Cl)cc(Cl)c1 725388382 FLQSCJCWUDOPIN-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 1125051165 YCTXLFLKSSAXLE-INIZCTEOSA-N 291.410 4.631 30 10 CJEE C=CCC1(C(=O)Nc2nc3cc(C)cc(C)c3o2)CCCC1 1126713425 ZVWXDJFNBZFWQD-UHFFFAOYSA-N 298.386 4.520 30 10 CJEE C#CCCCCCC(=O)N[C@H](c1ccccc1C)C(C)(C)C 1126882847 XQCHIWJDOUNXIM-LJQANCHMSA-N 299.458 4.782 30 10 CJEE C=CCC1(NC(=O)[C@@H](CC)CCCC)CCCCC1 1129029634 ZXQARILGUVSMBH-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=CCCC1(CNc2sccc2[N+](=O)[O-])CCCC1 1163715850 SMGXTVMPIZPYNY-UHFFFAOYSA-N 280.393 4.595 30 10 CJEE C#Cc1ccc(NCc2ccc(CCC)cc2)c(Cl)c1 1179701498 SZVHITXXRURBCC-UHFFFAOYSA-N 283.802 4.886 30 10 CJEE C=CCCCCCCCNCc1ccc(Cl)cc1O 1182196254 OUZXSVVTAPUBMG-UHFFFAOYSA-N 281.827 4.662 30 10 CJEE C=CC(C)(C)CCCNC1CC(Sc2ccccc2)C1 1183673563 RSPSSHPOUAPELK-UHFFFAOYSA-N 289.488 4.892 30 10 CJEE C#Cc1cccc(N(Cc2cccs2)C[Si](C)(C)C)c1 1191961312 VOPAZAODKFUNFL-UHFFFAOYSA-N 299.515 4.613 30 10 CJEE C=CCCCCNC/C(C)=C\c1ccc(Cl)cc1 1202111678 ZJAVDWPACIMKRE-OWBHPGMISA-N 263.812 4.689 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc3c(c2)[C@H](O)CCCC3)C1 1206597146 CVUJODXNFYFKEM-SIXWZSSISA-N 285.431 4.603 30 10 CJEE C=CC(C)(C)CCCNC(=O)C1(c2ccccc2)CCCC1 1288552281 QJUCKNWHNDQLOG-UHFFFAOYSA-N 299.458 4.607 30 10 CJEE C=CCC1(NCc2ccc(CF)cc2)CCCCC1 1308003565 YQHSASUECZOBEL-UHFFFAOYSA-N 261.384 4.525 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 1308389104 WVEPOGBKBIVFJP-IKICRFKJSA-N 289.850 4.920 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCCc2nc(C)sc21 1308636302 YFLWIFWTVTZWCL-UKRRQHHQSA-N 292.492 4.944 30 10 CJEE C=CCC[C@@H](CC)Nc1cc(OC)c(C(C)C)c(OC)c1 1308643110 UIEXTTBYRJLDPQ-CQSZACIVSA-N 291.435 4.984 30 10 CJEE Cc1ccc(-c2ccc(C)c(NC[C@@H](C)CCC#N)c2)o1 1308729920 AWTWLYCRXMHDJY-ZDUSSCGKSA-N 282.387 4.915 30 10 CJEE C=CCC[C@@H](C)NCCSc1c(C)[nH]c2ccccc12 1308986559 OEHNFYNDOWFWKZ-CYBMUJFWSA-N 288.460 4.513 30 10 CJEE C=CCCC[C@H](C(=O)N(C)c1ccccc1)c1ccccc1 1349932946 WHBSIEFKAXHTRJ-IBGZPJMESA-N 293.410 4.790 30 10 CJEE C#CCCCCC(=O)Oc1ccc(Cl)c2ccccc12 1349984758 MJPJTTUXWYUACT-UHFFFAOYSA-N 286.758 4.592 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccc(F)cc1)C1CCCC1 1356306011 WKRYYSZSUSYDOE-AWEZNQCLSA-N 289.394 4.704 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(Cl)ccc1SCC 1359999196 OIVPSZPMVHJTRO-LLVKDONJSA-N 297.851 4.993 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC)C1CCC(C)CC1 1461727700 JFTTZFDSKYAALE-KJLWTYROSA-N 289.463 4.549 30 10 CJEE C=CC[C@@H](CC)N[C@H](CC)Cc1ccc(Cl)cc1 1462162493 KSOAVIYGYMNJHV-HZPDHXFCSA-N 265.828 4.605 30 10 CJEE C=CCCCCCCCNC(=O)Nc1ccc(F)cc1F 1464926392 WVLFVJXBWSQHKU-UHFFFAOYSA-N 296.361 4.613 30 10 CJEE CCCCCCCCCCN1OC2CCC1CC2 1473728347 QFBHODRGQNMVTB-UHFFFAOYSA-N 253.430 4.686 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC(C)(C)c2ccc(Cl)cc2)C1 1473949969 KJWMXUXUZIOXSP-RHSMWYFYSA-N 291.866 4.952 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)c(SC)c2)CCC1 1525464623 WNEWPNVGSPEPAV-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C=CC[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1CC)c1ccccc1 1534423970 HRSBHPWANMYDMA-WDSOQIARSA-N 299.458 4.679 30 10 CJEE C=CC1(CC(=O)NCCCCCCSC)CCCCC1 1536980400 GHCFQQDRSVVPBZ-UHFFFAOYSA-N 297.508 4.553 30 10 CJEE C=CCC1(C(=O)N2CCC(CCC)CC2)CCCCC1 1538338699 SFOGWKQEJGTKDW-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCCCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1559591411 ZOGAABKTLXOFSM-KBPBESRZSA-N 265.828 4.730 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCCC2 1560531141 VLGKLHWDTNMMFU-QUCCMNQESA-N 283.459 4.790 30 10 CJEE C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 1633584287 AHZFAOMGWRIHAO-XHSDSOJGSA-N 294.483 4.587 30 10 CJEE C=CCCCCN1CCC[C@H](c2ccc(CC)cc2)C1 1645518742 GVYKRSAQESEGKH-IBGZPJMESA-N 271.448 4.785 30 10 CJEE C=CCC1(NCc2oc(-c3ccccc3)nc2C)CCCC1 1647774664 KKSRCCGLUWYLBE-UHFFFAOYSA-N 296.414 4.629 30 10 CJEE C=CCCCCCSc1nc2cc(F)c(F)cc2[nH]1 1651752585 YSBCCTBPYSDTRE-UHFFFAOYSA-N 282.359 4.680 30 10 CJEE C=CC[C@H]1N(Cc2ccc(Cl)s2)CCCC1(C)C 1654317337 BJFNJORXEXERTH-CYBMUJFWSA-N 283.868 4.968 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@H]1CC 1658324264 IDFNMJQSZZQNTC-RTBURBONSA-N 271.448 4.891 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@H](C2CCOCC2)C1 1658545552 VRPRJNRCWZSISE-ROUUACIJSA-N 293.495 4.554 30 10 CJEE C#CCCCCCCN[C@@](C)(CCC)c1ccccc1 1660604078 ZKYDRRVUKHIIKW-IBGZPJMESA-N 271.448 4.875 30 10 CJEE C=CCCCC[C@H](C)Nc1cncc2c1CCCC2 1665222279 BBGVSORIQCBCHE-AWEZNQCLSA-N 258.409 4.507 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](C)OC(C)(C)C 1876974225 NNDZOBGQKOOUBP-JKSUJKDBSA-N 269.473 4.695 30 10 CJEE CC#CCCC[C@@]1(CNCC(C)C)CCCC[C@H]1C 1879644295 NPDCGQIAWUQZLJ-MSOLQXFVSA-N 263.469 4.622 30 10 CJEE CCCCCCCCN1CC[C@@]1(C)c1ccccc1 1883318830 CEDYLBAKEBXRLV-SFHVURJKSA-N 259.437 4.968 30 10 CJEE C=CCN(Cc1ccc(C(C)(C)C)cc1)C(C)(C)C 1883889574 HYUCTJRJXDYXAS-UHFFFAOYSA-N 259.437 4.771 30 10 CJEE CCCCC#CCN(Cc1ccccc1)CC(C)(C)C 1884062390 HQUBSFVGBJLFTF-UHFFFAOYSA-N 271.448 4.728 30 10 CJEE CC#CCCCCSc1cccc([C@@H](C)NCC)c1 1885235571 HOIYBJHFRKUHRG-OAHLLOKOSA-N 275.461 4.643 30 10 CJEE CC#CCCCCN1CCCC[C@@H]1C1CCCCC1 1885369924 KKUQYAQRPOLHLF-GOSISDBHSA-N 261.453 4.615 30 10 CJEE CCCCCCCCCC(=O)CC[C@@H]1CCO[C@@H]1C 1886361807 UYERERIILOIIIU-HZPDHXFCSA-N 268.441 4.901 30 10 CJEE C#CC[C@H](C[C@@]1(C=O)CCCC(C)(C)CC1)C1CC1 1887074441 QCPAKLQVPMTXQE-SJLPKXTDSA-N 260.421 4.602 30 10 CJEE C#CC[C@@H](C)COc1c(C(C)C)cccc1C(C)C 1887097454 DGHRLTDPHWMLDZ-OAHLLOKOSA-N 258.405 4.972 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 1887452408 KVJZTIXXTVXOGD-MHORFTMASA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H]1CCCC1(C)C 1888712456 SWHHNEMKFPEMPM-IAGOWNOFSA-N 257.421 4.504 30 10 CJEE 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270.457 4.693 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1cc(Cl)cc(Cl)c1 2231503964 IFYFTBSPFLQRTE-INIZCTEOSA-N 298.257 4.870 30 10 CJEE CCCCCCCC[C@](C)(N)c1cnc(C)c(C)c1 2231909857 SGHBZUMWUMDCKQ-KRWDZBQOSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1sccc1C 2231929357 LKIYQBRSENMIRI-CVEARBPZSA-N 283.481 4.558 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc(C)nc2ccsc12 2232671733 MPSAFUSJXSESNW-MRXNPFEDSA-N 291.464 4.534 30 10 CJEE C=CCCCCCCCNC1C[C@@H]2CC(F)(F)C[C@H]2C1 2235513180 IZACNKSMADSVPI-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)c1ncoc1C1CCC1 2235523939 KWCXYXXOHMOYCE-HNNXBMFYSA-N 277.408 4.892 30 10 CJEE C=CCCCCCCC[C@H](O)c1cc2c(ncn2C)s1 2235524903 VRJSFWSOVZUTCR-AWEZNQCLSA-N 292.448 4.585 30 10 CJEE C=CCCCCCCCNCC1C[C@@H]2CSC[C@H](C1)C2 2236771148 UOEQQPAMIVULMM-AYHJJNSGSA-N 295.536 4.882 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]2C[C@@H]2C1=O 2237181857 MICXESLRFWGASB-IRXDYDNUSA-N 279.468 4.776 30 10 CJEE C=C1CC(CC2CCC(CCC)CC2)(C(=O)OCC)C1 2238187088 DSVGEZRCLBMMLO-UHFFFAOYSA-N 278.436 4.883 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H]1CC[C@H]1CN[C@H](C)CC 2239490878 VPYPAZVSTRWOJI-VSZNYVQBSA-N 281.484 4.552 30 10 CJEE CC(C)[C@@H]1CCC[C@](N)(C#Cc2cccc(Cl)c2)CC1 2239561175 BWJYAUYVNZYRQD-AEFFLSMTSA-N 289.850 4.625 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(C(C)C)cc1 2240136832 XNWSSPRPPWDRBC-QFBILLFUSA-N 273.464 4.933 30 10 CJEE CCCCCCCC[C@]1(C)[C@@H](CC(C)C)NC(=O)[C@@H]1C 2240562388 KULAPZWBBPVIIE-JZXOWHBKSA-N 281.484 4.924 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(COC)c1 2240612100 NHLDCDFFLIFYQJ-GOSISDBHSA-N 277.452 4.758 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC[C@H](C2CC2)O1 2240647739 HGBUETMJLVAEMG-CGTJXYLNSA-N 281.484 4.673 30 10 CJEE C=CC[C@@H](C)c1cccc(Cl)c1Br 2242029560 NVGBNKOZEPWGIM-MRVPVSSYSA-N 259.574 4.782 30 10 CJEE C=CCCCSCC1(CS)CCCCCC1 2244556707 FFCCKMYZFLUYNO-UHFFFAOYSA-N 258.496 4.956 30 10 CJEE C=CCCSC[C@@H](NC)c1cc(Cl)ccc1Cl 2250066057 UYPRJUXIAANNJN-CYBMUJFWSA-N 290.259 4.563 30 10 CJEE CCCCCCCCN(C)[C@H](CC)C(F)(F)F 2253083731 GNXKYLOEPMXDQJ-GFCCVEGCSA-N 253.352 4.620 30 10 CJEE CC1CCC(C=O)(CC[C@@H]2CCC[C@@H](C)C2)CC1 2254002113 KWMHWQRASHJPQT-GMRIPVOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCNC[C@@H]1CCC[C@@H]1C(F)F 2257768239 DAJINMKCVKXQQU-KBPBESRZSA-N 261.400 4.618 30 10 CJEE O=C(C=C1CCCCC1)C[C@@H]1CCC[C@H]1C(F)F 2257787233 DRVIFPRRNHLALF-GXTWGEPZSA-N 256.336 4.518 30 10 CJEE CO[C@H](CC(C)(C)C)C[C@]1(C#N)CCC[C@H](C)C1 2259078264 WMIJGNMFMUHPJQ-LZWOXQAQSA-N 251.414 4.548 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C(C)C 2262678414 SXSRBNPKHRAKFT-INIZCTEOSA-N 257.462 4.517 30 10 CJEE C=C(F)C[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2263302587 GAJSMFMAWJHJMV-SECBINFHSA-N 281.318 4.599 30 10 CJEE CCCCCCCCCN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 2264887645 ZSNXLOUYQFBPEH-FZDBZEDMSA-N 263.469 4.715 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1CCCC12CC2)NC 2266596864 SMGNGASEOSOKOC-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC(C)[C@H]1CCCC[C@]1(N)CC=CC#CC(C)(C)C 2268749781 DQOHWOVGRXZWTR-SJLPKXTDSA-N 261.453 4.526 30 10 CJEE CCCCCCC[C@@H](N)c1c(C)cc(OC)cc1C 2269582557 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CCN[C@@H](C#CC1CCCCC1)[C@H]1CC12CCCCC2 2289701307 WCBBUQVAFIPRME-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE O[C@@]1(C#CC2CCCCC2)CCCC2(CCCCC2)C1 2289772809 NYMOHQRSHFEAIH-LJQANCHMSA-N 274.448 4.826 30 10 CJEE CCNC[C@@H]1CCC(C)(C)C[C@@H]1CC#CC1CCCC1 2289874168 KIPQRMFFYSMUNS-ROUUACIJSA-N 275.480 4.622 30 10 CJEE CCNC[C@]1(CC#CC2CCCC2)CCCCC12CC2 2289901301 NVBBHLLOTWAENT-LJQANCHMSA-N 273.464 4.520 30 10 CJEE CCCCCCC[C@@](C)(OCC(=O)O)[C@H](C)CC(C)C 2291640919 PNPLJUQXPQVTSE-NVXWUHKLSA-N 286.456 4.889 30 10 CJEE CCCCCCCC[C@](C)(OCCN)c1ccc(C)s1 2292638016 GIXHOALKZXEHEY-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE CCCCCCC[C@@](C)(CC1CC(F)(F)C1)OCCN 2292959784 INUKQOJZJKYABR-HNNXBMFYSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)[C@H]1CC1(C)C 2293023035 QNYNDGUELRDNCR-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCCCCC1(C)C 2293132529 BEKZQEZFHDAQSG-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCC[C@H]1C(C)C 2293371580 DIFONLQURHBTFN-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](OCCCN)C1CCC(C(C)(C)C)CC1 2293436389 GPSREWNVMSVMJW-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE Cc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)o1 2293869319 HITDEDBKVNACBN-UHFFFAOYSA-N 296.153 4.703 30 10 CJEE CCCCCCC[C@@H](OCCN)[C@H]1CCCC(F)(F)C1 2294321773 XOEDRTPNHRAQGM-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCCO[C@@H]1CC(=O)[C@@]12CCC(F)(F)C2 2295104221 HFDVBBXLGKZJDI-CABCVRRESA-N 288.378 4.511 30 10 CJEE CC1([C@@H](O)C#Cc2ccccc2Cl)CCCCCCC1 2295210305 YUIXNTIJCCVKCW-KRWDZBQOSA-N 290.834 4.803 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C#Cc2ccccc2Cl)CC1 2295237697 RGPQTTIFDBWYPX-YJBOKZPZSA-N 290.834 4.803 30 10 CJEE CCCCCCCCC[C@H](C)N(CC)C[C@@H](C)C(=O)O 2295531428 LFYYEFQXNHGRRL-CVEARBPZSA-N 285.472 4.558 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@]1(CN)CCC1(C)C 2295589197 JBMAATDWWLIKKW-MSOLQXFVSA-N 283.500 4.643 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CCC[C@@](C#N)(NC)[C@@H]1C 2295710504 HMALODRXNRWKQD-TWMKSMIVSA-N 296.524 4.606 30 10 CJEE O=C(C=COc1ccc2ccccc2c1)c1ccc(F)cc1 2297451451 WNBYDILTVWHURU-UHFFFAOYSA-N 292.309 4.754 30 10 CJEE C=C[C@@](N)(CCC)Cc1ccc(Cl)c(Cl)c1C 2301115792 WJKWJIPRXKSRGW-CQSZACIVSA-N 272.219 4.528 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(CC)c1 2304039062 STXKRTHITHAQGZ-DOMZBBRYSA-N 251.439 4.563 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1C[C@H]2CC[C@@H]1C2 2313200021 AQLZXPIVVQPDPD-HZMVEIRTSA-N 250.426 4.700 30 10 CJEE CS[C@H]1C[C@@H](CC2(C#N)CCC(C(C)C)CC2)C1 2314255648 WXJBBJBUOPFDSQ-KTKMLWKQSA-N 265.466 4.874 30 10 CJEE CCCCCCCNc1cccc(C(C)(C)F)n1 2315869149 DPWNAEAPEDGBBP-UHFFFAOYSA-N 252.377 4.669 30 10 CJEE C=C(CC)C[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2318602341 WFRAKDOKVUNDGR-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE C=C[C@@H]1CCCN1CCCc1cc(Cl)cc(Cl)c1 2318609247 FBKRGZDFXRIYTA-OAHLLOKOSA-N 284.230 4.576 30 10 CJEE C=CCC(C)(C)[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2321129480 BNNIGKUFDKLDMC-AWEZNQCLSA-N 286.246 4.856 30 10 CJEE Cc1ccc(NN=Cc2ccc(C(C)C)cc2)cc1C 2322922882 SYNQRSNEBDODEW-UHFFFAOYSA-N 266.388 4.873 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(F)c(Cl)cc1Cl 2325183317 FPGXSUYKRZAWCW-SNVBAGLBSA-N 290.209 4.967 30 10 CJEE O=C(CCc1cc(Cl)cc(Cl)c1)C1=C[C@H]2CC[C@H]1C2 2341158256 OCXVVBIAIRWQCR-JQWIXIFHSA-N 295.209 4.851 30 10 CJEE C[C@@H]1CC[C@](C#N)(Cc2cc(F)ccc2C2CC2)C1 2341745693 XYNLCTMQPVPMIY-SJKOYZFVSA-N 257.352 4.576 30 10 CJEE C=CCC(CC=C)[C@@H](O)c1cccc(C2CCC2)c1 2343781577 PUQPTCRBHIMDOH-GOSISDBHSA-N 256.389 4.756 30 10 CJEE C#Cc1c(F)cc(N[C@@H](CC)CCCCC)cc1F 2344182218 NOURYPKFSNTXQL-LBPRGKRZSA-N 265.347 4.717 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1[C@@H]2CCCCC[C@@H]12)NC 2344341926 GBVVZUACFHYUJI-LMSBXDPUSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1C[C@H]2CCC[C@H](C2)C1 2344350022 YFNPNOIZFUIAMH-ILOCAZANSA-N 263.469 4.913 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccc(F)cc1 2344357105 PFPIIERGYWVNRZ-IAGOWNOFSA-N 263.400 4.859 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C)c(CC)c1 2344359227 XSMTWXDWCQTULJ-MSOLQXFVSA-N 259.437 4.810 30 10 CJEE CC1(C)CC[C@@H](CC[C@](C)(C=O)c2ccccc2)C1 2344887308 ZCJKHRIVXRKYLX-MAUKXSAKSA-N 258.405 4.750 30 10 CJEE CC1(C)CC(CS)(COC(CC2CC2)CC2CC2)C1 2345009398 DGUDYXDVYBLXES-UHFFFAOYSA-N 282.493 4.708 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCC[C@@H](CC(C)C)C1 2352035108 DDAJPKHCWZPIAB-DZKIICNBSA-N 284.465 4.744 30 10 CJEE CCCN[C@@H](C#CC1CC1)c1c(Cl)cc(C)cc1Cl 2353052785 UXBLDVUOXBPHFY-HNNXBMFYSA-N 296.241 4.756 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)c(SC)c2)C1 2353832361 YQSPCUWVLWXXKH-JSGCOSHPSA-N 274.433 4.661 30 10 CJEE N#C[C@@H](C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)c1cccs1 2354879641 REWCNPABHYRRGZ-ZQDZILKHSA-N 287.428 4.531 30 10 CJEE C=CCC(CC=C)OCc1ccsc1CNC(C)(C)C 2360214985 PAIKABGJIASKSA-UHFFFAOYSA-N 293.476 4.674 30 10 CJEE Cc1cccc(/N=C/c2c(O)cc(C)c(Cl)c2C)c1 226410 AYOCWADGVLPVSC-GIJQJNRQSA-N 273.763 4.721 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCCCC2)C1 37145804 HYORBXOZQGZGAX-YESZJQIVSA-N 276.468 4.607 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccc(Cl)c(C#N)c2)c(C)n1 37282129 KDKWFTWNEVCFPD-ZDUSSCGKSA-N 299.805 4.705 30 10 CJEE C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21CC 44963295 MXXKGWYLIJQEBP-QHOCJJNXSA-N 298.470 4.704 30 10 CJEE in-vitro CCCCCCC[C@@H](C)NCCc1cccc(F)c1 59332797 ZSEGZHDEFADTAB-OAHLLOKOSA-N 265.416 4.707 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cccc2cccnc12 69502981 BEFNFTRENQBDPH-INIZCTEOSA-N 293.757 4.565 30 10 CJEE C=CCn1c([C@@H](N)CCCC)nc2cc(C(C)C)ccc21 74297074 RSNAFQRMAIPHCT-HNNXBMFYSA-N 285.435 4.536 30 10 CJEE CCCc1oc(-c2cccc(OCC(C)C)c2)cc1C#N 77081445 ZDJCFACJQVTJGP-UHFFFAOYSA-N 283.371 4.806 30 10 CJEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1cccs1 83193024 SOTRTBRKHPFBFF-VQHVLOKHSA-N 286.396 4.740 30 10 CJEE CCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)c(C)c1 83193599 GBJYRBANEGSZEU-ZHACJKMWSA-N 294.394 4.907 30 10 CJEE CCCC[C@H](CC)C[C@]1(C#N)CCOc2ccccc21 87997095 QPULXWSHJVYHSL-YJBOKZPZSA-N 271.404 4.837 30 10 CJEE CCC(CC)N(CC(C)C)[C@@H]1CCCCC[C@@H]1C#N 93309005 ASXHIESQUGLLFU-NVXWUHKLSA-N 264.457 4.605 30 10 CJEE Cc1cc(CNc2ccc(C#N)cc2Cl)cc(C)c1F 94894802 YRQYBFHZXQMKHY-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(Cl)cc2C#N)cc1F 94956808 YBSBLONDYMBXJP-NSHDSACASA-N 288.753 4.832 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CCCc2sccc21 97220699 FLDZDLAXWSGAFL-ZFWWWQNUSA-N 263.450 4.502 30 10 CJEE CCCCCCCNCc1ccccc1OCC(C)C 100027312 DSRQJXCSYWBPHP-UHFFFAOYSA-N 277.452 4.781 30 10 CJEE CCCCCCC[C@](C)(NCC)c1nc(C)cs1 104441682 WGJQSUQZCQDJAV-HNNXBMFYSA-N 268.470 4.637 30 10 CJEE C=C[C@H](OCc1ccccc1)[C@@H](C=C)OCc1ccccc1 106046996 SIDNFRGHUJGCFX-BGYRXZFFSA-N 294.394 4.529 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1CC)c1cccc(Br)c1 107494870 IHEFSVIHYNJVCW-HONMWMINSA-N 283.209 4.510 30 10 CJEE CCCCCCCn1nc(C)c([C@H](C)NCCC)c1C 108043195 YOTFKHDKPLTVOI-AWEZNQCLSA-N 279.472 4.531 30 10 CJEE CCCCCCCCNc1cc(C)c(C)cc1[N+](=O)[O-] 109945982 YBFNGBORQUAZML-UHFFFAOYSA-N 278.396 4.984 30 10 CJEE C=C[C@@H](C)Oc1c([C@H](C)NCCC)ccc2ccccc12 110094108 CLAJJDPZRURKMB-CABCVRRESA-N 283.415 4.854 30 10 CJEE C/C(=N/Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1O 110300402 XARRYFFVXIEBRF-FXBPSFAMSA-N 295.426 4.944 30 10 CJEE CCCCCCCCCCN1C[C@H](C)NCC1(CC)CC 114057488 FGNKKIULCFPKJK-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCCC[C@@H](CCSC)NN 122720960 KTEPJJKNOBOWGJ-INIZCTEOSA-N 288.545 4.882 30 10 CJEE CCCCCCCC[C@H](CNCCOC)C(C)(C)C 124981692 VIZLQHZIWHACHY-MRXNPFEDSA-N 271.489 4.635 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(CC)nn1C 135558834 ZCYGMLOZTVIBNC-KRWDZBQOSA-N 280.456 4.547 30 10 CJEE CCSc1cccc(N(CC)c2ccccc2)c1C#N 136614347 BMIUSULWCDSVTO-UHFFFAOYSA-N 282.412 4.828 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](OCC)c1ccccc1 158536824 LZGLHNFKFUAHLY-ROUUACIJSA-N 277.452 4.842 30 10 CJEE CCCCCCCC(=O)[C@@]1(OCC)CCC[C@@H](C)C1 159845964 ZPEFKIKCUDQUJC-NVXWUHKLSA-N 268.441 4.901 30 10 CJEE CCC(C)(C)c1ccc(Oc2cc(C#N)cc(C)n2)cc1 161151623 NXYBQUWANHXAFL-UHFFFAOYSA-N 280.371 4.742 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CC[C@H](C)O1 162283304 FILYFCFVKFZMDR-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE N#Cc1ccc(Sc2ccc(O)c3ccccc23)c(F)c1 163442128 HIOHFZNKXQJZHM-UHFFFAOYSA-N 295.338 4.707 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(NC2CCCC2)c1 186421968 KYJDBTKUTKJTCA-AWEZNQCLSA-N 286.419 4.582 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC2CCCCC2)C1 225094803 HKYXSSANFUNEMM-NFAWXSAZSA-N 251.439 4.771 30 10 CJEE CCCCCCCC[C@H](NCC)C1(OC)CCCC1 228215022 IXGTVMYCFVDPPC-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)cc2cccnc12 228818440 VYKLPOUKOSGKAS-NSHDSACASA-N 260.768 4.655 30 10 CJEE C#C[C@@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229881883 LNLMQWRHNHBAON-BDAKNGLRSA-N 290.621 4.709 30 10 CJEE C=CCCCCCOc1cccc(Cl)c1CNCC 233524511 DJCSMOIGHADHQU-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE Cc1cc(Cl)ccc1[C@H](C#N)Nc1cccc(Cl)c1 235852112 ANHPDPBRZCQPBN-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE Cc1cccc(N[C@@H]2CCc3sc(Cl)cc32)c1C#N 236010075 ZSEGLLZCNMSEBI-CYBMUJFWSA-N 288.803 4.681 30 10 CJEE Cc1cccc(-c2cc(Br)c(C#N)s2)c1C 259067392 BNCJKDFPDBPNCQ-UHFFFAOYSA-N 292.201 4.666 30 10 CJEE CC(C)c1nc2c(C(C)(C)CC#N)cccc2s1 260417477 FUQVXQGPAQBBAU-UHFFFAOYSA-N 258.390 4.611 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cc(Cl)sc2Cl)O1 310437308 OTHMZUHRVCTCIM-RYUDHWBXSA-N 290.215 4.753 30 10 CJEE C=CCCCCCCn1c(S)nc2cc(F)ccc21 311969826 MMQXADCRFBFONB-UHFFFAOYSA-N 278.396 4.601 30 10 CJEE CC[C@H]1CCCC[C@@H]1[C@@]1(C=O)CCC[C@@H](CC)C1 316844332 NDIFHQSQWQBENN-QZWWFDLISA-N 250.426 4.988 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 316913418 VSRNLZNYGLOOCP-HHARLNAUSA-N 250.426 4.844 30 10 CJEE CCC1CCC(C=O)(C[C@H]2CCCC2(F)F)CC1 317430949 HQYMVACLDKNRKF-ROKHWSDSSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 317687549 IUPQEROVCAZQOW-IUODEOHRSA-N 284.321 4.643 30 10 CJEE C=CCC(C)(C)COc1nc(C(C)C)nc(Cl)c1C 378739952 MUVIFYCECVRJRD-UHFFFAOYSA-N 282.815 4.543 30 10 CJEE C=C([C@@H](CCCCCCCCCCC)NN)C(F)(F)F 380223082 JSJXANAYCAFJSE-CQSZACIVSA-N 294.405 4.858 30 10 CJEE CCCCCCCCCCCCSCCNC 382644258 HXOISMBELFYQAV-UHFFFAOYSA-N 259.503 4.860 30 10 CJEE N#C[C@]1(CCC2=CCCCC2)CCc2ccccc21 385047989 QAYRGLLEJINBNZ-SFHVURJKSA-N 251.373 4.675 30 10 CJEE Cc1ccc(C)c2c1CCC[C@@H]2NCC1CCC(C#N)CC1 442857181 PGOGCLBRVVSCRW-TVPLGVNVSA-N 296.458 4.600 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1sccc1C 686699657 HWCNVAHCHKNTEW-OAHLLOKOSA-N 263.450 4.681 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1C#N 692226233 DFNMDDABNBSVTD-SWLSCSKDSA-N 274.795 4.758 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C(=O)O 692272981 QEGKPCUJSYHYCC-FZMZJTMJSA-N 293.794 4.585 30 10 CJEE CC(C)(CC(F)F)C[C@]1(C=O)CCCc2ccccc21 694115917 COODPHDHFXSXDM-KRWDZBQOSA-N 280.358 4.531 30 10 CJEE C[C@H](CC(C)(C)C#N)n1ccc2ccc(Cl)cc21 695778650 GXWRBEIALXMPEO-LLVKDONJSA-N 260.768 4.796 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@H](C)CO 696759736 SIPVWFDBZCBEAL-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)C(CC)(CC)CC 698963950 JINZHAGVMOFZER-CQSZACIVSA-N 294.439 4.518 30 10 CJEE C#C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)C(C)(C)C 702250389 HKOLSLDTFRPYTR-DLBZAZTESA-N 271.448 4.801 30 10 CJEE CCCCCCCCCC[C@](C)(N)C[C@@H]1CCCO1 704878283 LWYIOMBAEUDGGE-IRXDYDNUSA-N 269.473 4.804 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)ccc1C 710634834 KAYJUIVRAUOGHP-CQSZACIVSA-N 272.219 4.832 30 10 CJEE C=C(CN[C@@H](C1CCCC1)C1CCC1)c1ccccc1 711840838 OXEQFUPSGYMHON-IBGZPJMESA-N 269.432 4.648 30 10 CJEE C[C@H](CCC1CC1)/N=C1/NC2(CCCCCCC2)CS1 713187884 NEVIYBDEFYCXEM-CQSZACIVSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1(c2ccccc2)CCCC1 715751677 ZYORNYHVHHDJEK-WMZOPIPTSA-N 271.448 4.689 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCc1cccs1)NCCC 715767782 FBDKTZMUBLXYIB-GDBMZVCRSA-N 265.466 4.651 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)C[C@H](C)CO1 718447541 YWZWRHTYVHXVIJ-ROUUACIJSA-N 283.500 4.922 30 10 CJEE C=C1CCC(CNc2ccc(Cl)cc2F)CC1 724549760 JAGWHWPWBVBMOT-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE N#CCc1cc(SC(F)(F)F)c(F)c2sccc12 725305131 OQKWEIBBTAHSFV-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C[C@@H](C#N)Oc1ccccc1N[C@H](C)CCC1CCCC1 780746380 NTAWTRNKJZOYGO-CABCVRRESA-N 286.419 4.748 30 10 CJEE C=CCCc1ccccc1NC(=S)Nc1ccsc1 799901303 YMXGBLZQDMZXPL-UHFFFAOYSA-N 288.441 4.676 30 10 CJEE 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4.552 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2338748565 BYWRVUUFKVOVOR-HPBDAGMYSA-N 261.453 4.559 30 10 CJEE CCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1CC21CC1 2339465117 UYBXNUAZIDUAFY-GVDBMIGSSA-N 263.469 4.905 30 10 CJEE CCCCC#CC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2341121721 NMPVOZRGMYEKCW-MRXNPFEDSA-N 298.257 4.837 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(Cl)c1OC 2344346208 QONLLELICSBYRM-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc(C2CC2)c1 2344375717 DNSJAJFMLIWPTR-KRWDZBQOSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1csc(COC)c1 2344379805 JNFYAWRUHHJPLS-OAHLLOKOSA-N 281.465 4.538 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1CCCC[C@@H]1C(F)(F)F 2344476697 NCFXALIYUPHMQL-RWMBFGLXSA-N 278.358 4.708 30 10 CJEE C#Cc1ncccc1N[C@H](C)c1cc(Cl)ccc1Cl 2346050382 NRYKDJWKCFFYDQ-SNVBAGLBSA-N 291.181 4.543 30 10 CJEE CCCCCCC[C@@](C)(Nc1cscc1C)C(=O)O 2348419880 QLTITIZKLZLFJG-OAHLLOKOSA-N 283.437 4.672 30 10 CJEE CCC[C@@H](Nc1ccc(C#N)c(SC)c1)C1CCC1 2353823226 XXWHKXKPTCFHAR-OAHLLOKOSA-N 274.433 4.661 30 10 CJEE CSc1cc(NCCC2CCCCC2)ccc1C#N 2353829651 CWEVOKSACIWRDX-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC[C@@H](C(C)(C)C)CC1 2353842729 IFNPTQIESAYFJK-HZPDHXFCSA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NC 2360180158 SXLSMRXLBCDZCR-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE C#CCCCCC[C@H](NC)c1cc(C)c(OC)c(Cl)c1 2360215164 RGRNTVZPMFLCFS-INIZCTEOSA-N 293.838 4.501 30 10 CJEE CC(C)c1ccc(/C(O)=C\C(=O)c2ccccc2)cc1 4597048 SILUULRPHJQGNW-LDADJPATSA-N 266.340 4.592 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155094 CZGLSLKVGUVZQT-GRDNDAEWSA-N 289.444 4.896 30 10 CJEE N#C[C@H](C(=O)CC1CCCC1)c1ccc(Cl)cc1Cl 38137831 FJWOGHUFAWDDSX-ZDUSSCGKSA-N 296.197 4.750 30 10 CJEE CCC(C)(C)c1sc(C#N)c(N)c1-c1cccs1 54404436 POCPYPYKHOYCJY-UHFFFAOYSA-N 276.430 4.618 30 10 CJEE CC(C)(C)c1ccc(C[C@@H](C#N)c2cccc(F)c2)cc1 57744780 LEKQKHICTKVEMP-INIZCTEOSA-N 281.374 4.973 30 10 CJEE N#C[C@@H]1CCCC[C@H]1c1cc(Cl)ccc1Cl 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C=CCCC[C@@H](NCC)c1cc2cccc(C)c2o1 2116482951 VLGAMTUEMCNODQ-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(CC2CC2)cc1 2116494416 HLDKIEVGBITRRF-SFHVURJKSA-N 257.421 4.646 30 10 CJEE N#C[C@]1(CCCOC(F)(F)F)CCCCC12CCC2 2117008118 QPQZJBDIWCTNDH-CYBMUJFWSA-N 275.314 4.557 30 10 CJEE CC[C@H](C)C[C@@](O)(CC)[C@@]1(C#N)CCCCC1(C)C 2117022164 CQKAZEDSERZDKS-UAGQMJEPSA-N 265.441 4.674 30 10 CJEE CC1(C)CCCC[C@]1(C=O)[C@@H]1C[C@@H]1c1ccccc1 2117025215 LUQONIBAJQYGQY-NUJGCVRESA-N 256.389 4.576 30 10 CJEE CC(C)[C@H]1CCC[C@H]1CNc1cccc(Cl)c1C#N 2120036652 VMOLONYLBSJAMQ-QWHCGFSZSA-N 276.811 4.696 30 10 CJEE N#CC1(C[C@@H]2Cc3ccccc32)CCC2(CC1)CC2 2120099860 CVUHXTIEBCUGIT-HNNXBMFYSA-N 251.373 4.581 30 10 CJEE C=C[C@@](C)(CNCCC)Cc1ccc2sccc2c1 2120707058 LPYMHXQMTIUDAB-QGZVFWFLSA-N 273.445 4.636 30 10 CJEE CCC(CC)(CS)CN1CC[C@]12CCCC(C)(C)C2 2121912443 XINOUVFANDARCR-KRWDZBQOSA-N 283.525 4.767 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)C(C2CC2)C2CC2)CC1 2125215897 MMZJMLXEQINCNL-OAHLLOKOSA-N 260.421 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C=CCCCCCCCC[C@@]1(O)CCOC(C)(C)C1 2142436581 WJJWGGYCSJHLED-QGZVFWFLSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCCCC[C@]1(N)C[C@H]2C=C[C@H]1C2 2142439664 BZDDLLCDVJQLGU-BZSNNMDCSA-N 261.453 4.977 30 10 CJEE C=CCCCCCCCC=C1C[C@H](CN)C12CCC2 2142447291 SXWRVSUYRJXAKE-QGZVFWFLSA-N 261.453 4.978 30 10 CJEE CCCCCCCC[C@H](O)[C@](CC)(CN)CCCC 2142458636 RESBOXLLPBZDCT-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2OCCC23CCC3)CC1 2145190911 DYDWBZSJONNRIG-AQFXKWCLSA-N 278.436 4.511 30 10 CJEE C#CCCN(CC(C)(C)C(F)(F)CC)C1CCCCC1 2145625280 NIICBFPAQDZGKG-UHFFFAOYSA-N 285.422 4.716 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CC[C@H]2C[C@@H]2CC1 2145659499 UHEZBRHNGFSYBX-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)c1csc(C)n1 2147034144 NHMHUDRYMIETHU-MRXNPFEDSA-N 297.464 4.585 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](O)C(CC)(CC)CC 2147737558 AUTUZUZPXGNIGD-DLBZAZTESA-N 283.500 4.678 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)C[C@H](C)C1CCC1 2148263411 XNHOGUCSKWXQPT-SZMVWBNQSA-N 283.500 4.642 30 10 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271.448 4.894 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@]12CCCOC2 2198130124 JTWFBKBZFXPIFZ-BZSNNMDCSA-N 282.468 4.695 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1C[C@H]1C1CCCCCC1 2200185516 YHSLOCITYTWEMI-GUYCJALGSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCCNC[C@@]1(O)CCCC[C@H]1C 2201466913 ZVFYFKCYKIKQNZ-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CCCCCC#CC[C@H](O)[C@@H]1C[C@@H]1C1CCCCCC1 2203758549 YREOXRCQMYXYHX-QRVBRYPASA-N 276.464 4.928 30 10 CJEE C#C[C@@H](N[C@H](C)C1CCC(CC)CC1)C1CCCCC1 2203798937 SQXCQRQOWSFVQC-RMFNQSEZSA-N 275.480 4.763 30 10 CJEE CCCCCC#CC[C@H](NC)c1ccc(C(F)(F)F)o1 2203808691 ZCLVGVGXLALICY-LBPRGKRZSA-N 287.325 4.533 30 10 CJEE CCCC#CC[C@](C)(CNC(C)(C)C)c1ccccc1 2203809814 JDBFOGYSWYALHV-LJQANCHMSA-N 271.448 4.526 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H](O)C1(C)CCCCCC1 2206894152 HPBJAFOGOACAFZ-IAGOWNOFSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC(=O)[C@@](O)(CCC)[C@H]1CC1(C)C 2206896640 GTCVSBOXGYJFHX-MAUKXSAKSA-N 280.452 4.659 30 10 CJEE C=CCCCCCC[C@@H](O)c1c(C)nc2scc(C)n12 2206902449 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CCCCCCCCC[C@@H](NCCC)[C@@H]1[C@@H]2CCO[C@@H]21 2355570585 AUUHUFPQCJCVIF-MHORFTMASA-N 281.484 4.530 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(F)c1CNCC(C)C 2360375221 AGSMBYXUKPRXLX-GFCCVEGCSA-N 299.430 4.767 30 10 CJEE CCN[C@@](C#N)(CC)CCCSCC1CCC(C)CC1 2360509551 XIWNMDAASAOFLF-JCYILVPMSA-N 296.524 4.608 30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(C(C)C)cc2)c1 21813304 XKIXKOFMKZDOOF-OAHLLOKOSA-N 263.384 4.964 30 10 CJEE CC(C)c1nccn1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37147559 WIADYHHYBRCYMX-KFWWJZLASA-N 273.424 4.534 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2cccs2)C1 37156224 IHYYTGRWWFVBGC-JHJVBQTASA-N 265.447 4.949 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2ccc(C#N)cc2)cc1 57757808 RUALCAQGPCYIFQ-IBGZPJMESA-N 274.367 4.532 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](c1cccs1)N(C)C 59090297 RLLGIJCTZAZTFC-HOTGVXAUSA-N 296.524 4.689 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@@H]2CC#N)cc1Cl 62670575 AJIIUMYQRNQHRB-TZMCWYRMSA-N 277.795 4.926 30 10 CJEE Cc1cccc(CSc2cc(C#N)c3ccccc3n2)c1 68796842 AAPWSAHMBXFXAR-UHFFFAOYSA-N 290.391 4.707 30 10 CJEE COc1cccc(C#Cc2ccc(-c3ccccc3)s2)c1 78215252 HKJLQLAXLHASRN-UHFFFAOYSA-N 290.387 4.824 30 10 CJEE CC(C)(C)[C@@H]1CCCN([C@@H]2CCCCC[C@@H]2C#N)CC1 79342224 QUBUZQFRUWKANJ-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cccc(C(F)(F)F)c2)C1 87973459 MHSPVHQOXBKTIX-RISCZKNCSA-N 267.294 4.578 30 10 CJEE C[C@@H]1CCC[C@@H](C)N1CC1(CS)CCCCCC1 94578274 VSGYLFDYBZCGMT-HUUCEWRRSA-N 269.498 4.520 30 10 CJEE C[C@@H]1CC=CC[C@H]1COCC1(CS)CCCCCC1 94584075 VNPZSWHYRDPOBF-CVEARBPZSA-N 282.493 4.876 30 10 CJEE CCc1ccccc1OCC1(CS)CCCCC1 94584426 OXLIYBTXAGEVII-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1cc2ccccc2[nH]1 94629348 OJYJAXHNVKTSIM-DZGCQCFKSA-N 270.401 4.732 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc2cc(C)ccc2o1 97417190 AGELRFZNQQNACD-MRXNPFEDSA-N 269.388 4.585 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccccc1Br 107495529 ZJWONISCGUJFEW-NWDGAFQWSA-N 265.194 4.602 30 10 CJEE CCC#C[C@@H](C)Cc1cc(Cl)c(C)cc1OCC 107621297 YCMHHEXIYAWECW-GFCCVEGCSA-N 264.796 4.639 30 10 CJEE CC(C)(C)c1c(C#N)oc2c(F)cc(Br)cc12 110162102 IASONGIUEUBVQT-UHFFFAOYSA-N 296.139 4.504 30 10 CJEE CCCCCCCCOc1ccncc1CNCC(C)C 122852292 GOQLIIYGPBXBAN-UHFFFAOYSA-N 292.467 4.567 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1 125714144 CVOGWLLNUJPYDW-IAGOWNOFSA-N 293.410 4.566 30 10 CJEE C=C(C)CC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 125786503 BTHMRLBKYGHSHH-NNGLDNROSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c(F)cc1F 126184424 SKEWTUQDYCGEAE-OAHLLOKOSA-N 255.352 4.634 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CSCCS1 157905400 LOIIMKKCQBOQHB-GJZGRUSLSA-N 289.554 4.564 30 10 CJEE CCCCCCCCCC[C@@H](CCN(C)C)NCCC 158724531 IVJDNYSSYVTCTK-SFHVURJKSA-N 284.532 4.837 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1C[C@@H]1c1ccccc1 167725438 VIZDRJFYMMFGPM-KURKYZTESA-N 257.421 4.515 30 10 CJEE CCCCCCCC[C@@]1(CNCCC)CCO[C@@H]1C1CC1 168355588 IONRSSHUJCPGLT-MOPGFXCFSA-N 295.511 4.922 30 10 CJEE C=C(CC)C[C@H]1C[C@H](CCC)CC[C@@H]1CNC1CC1 219525837 PISYZPPNEUVADH-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE CCCCCN(C)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 222344695 PXWQVOZIAZSATL-IPMKNSEASA-N 284.447 4.584 30 10 CJEE C=CCC[C@@H](C)Nc1ccccc1NC(=O)OC(C)(C)C 227591078 NAVKYVSNIDTFSK-CYBMUJFWSA-N 290.407 4.800 30 10 CJEE CCC[C@@H](Nc1cc(F)cc(C#N)c1)c1cccs1 227611705 QUMBHTBXTQRFCW-CQSZACIVSA-N 274.364 4.712 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C)c(Br)c1 229755007 XGAWKHRTYGCIDS-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCN(CCCCCCCCCS)CC1CCC1 230340619 NXEHLQIDHJHZNE-UHFFFAOYSA-N 271.514 4.769 30 10 CJEE CCCCCCCCNC1=N[C@@H]2CCCC[C@H]2CS1 231344157 PSSGQVFFMILRLS-LSDHHAIUSA-N 282.497 4.598 30 10 CJEE C=CCSCCN[C@H](C)c1ccc(Cl)cc1Cl 231929863 DFZXBEBTRPASJS-SNVBAGLBSA-N 290.259 4.563 30 10 CJEE CCCCCCC[C@H](CC1CC(OCC)C1)NCCC 232178403 XOEIYJNCNGNTKD-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE C=CCCCCCOc1cccc(Br)c1 232481193 QDDQRJWWMMQPFO-UHFFFAOYSA-N 269.182 4.574 30 10 CJEE CCCCCCCCCNCC1(SC)CCC1 232943702 BPYXEVBGNSPZND-UHFFFAOYSA-N 257.487 4.612 30 10 CJEE C=CCCCCC[C@@H](O)c1cccc(OCCC)c1 233245733 FPEVOWUMIVUWMT-QGZVFWFLSA-N 262.393 4.645 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1[C@H]2CCC[C@H]21 252907176 VZYKVIBGKNSVNM-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 253051381 VEYLQWMFEHEYTR-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CC(C)c1nc2ccc(CC(C)(C)C#N)cc2s1 260618234 PLXOQAPUAYOHMB-UHFFFAOYSA-N 258.390 4.512 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CCC(F)(F)C1 305936056 FDYRFULBNORPLP-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 308054847 LVNVJIVGVGJQEN-WFASDCNBSA-N 277.795 4.589 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cc2sccc2s1 309576519 PBIFNUARCSLSOH-VHSXEESVSA-N 251.420 4.578 30 10 CJEE C=C(C)CC[C@H](N)c1ccc(OCc2ccccc2)cc1 309835089 IHGXEVMCCDERDY-IBGZPJMESA-N 281.399 4.622 30 10 CJEE C[C@@]1(CC#N)CC[C@H](c2cc(Cl)ccc2Cl)O1 310317916 XVFBZPGLADJUND-OLZOCXBDSA-N 270.159 4.517 30 10 CJEE N#CC1(Cc2ccc3ncccc3c2)CCCCCC1 312429716 ARACCVKJVFPJDK-UHFFFAOYSA-N 264.372 4.641 30 10 CJEE Cc1nc(O[C@@H]2C[C@H](C)CC(C)(C)C2)c(Cl)cc1C#N 313037473 FPZXQBAXZURQJC-GXFFZTMASA-N 292.810 4.509 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 317175366 PBHBDDLSJIQJQG-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=CCCCCC[C@]1(CNCCC)CC[C@H](C)C1 318507202 XNTCYUIMQJCOFS-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CC2CCC1CC2 382286970 PGWBDXKXBDRFIC-OFLPRAFFSA-N 295.536 4.767 30 10 CJEE C=C(COC(C)C)[C@H](C[C@@H](C)CC(C)(C)C)NCCC 387642694 INYUDNHHTRMPKC-WBVHZDCISA-N 283.500 4.798 30 10 CJEE CCCCCCCCNc1ccc2c(c1)CCCO2 395048607 NAJUXNJJRHFHBV-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CC(C)[C@H]1CCCCN1CC1(CS)CCCCCC1 395771427 UHWQTBZZLGDHBD-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(C)C[C@H]1F 399292219 HXZPJVRAZXYAEO-OWCLPIDISA-N 257.437 4.853 30 10 CJEE CCCCCCCC[C@@H](CC[C@H]1CCOC1)NCCC 400993737 AZMCXUJXGAJMDO-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCN[C@@H](C)c1cccc(SCC2(C#N)CCCC2)c1 405164004 HKTGPMBEFOZEFG-AWEZNQCLSA-N 288.460 4.533 30 10 CJEE CCCCCCCC(=O)CC(C)(C)NC(=O)OC(C)(C)C 405781350 CPZUSLMKQIYVGU-UHFFFAOYSA-N 299.455 4.609 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)c2ccc(CC)cc2)c1 409593575 ILAQEGFUTOXYKG-INIZCTEOSA-N 295.426 4.665 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)[C@H](c1ccccc1C)C(C)C 466433393 BUCCFXQJEITULQ-WMZOPIPTSA-N 287.447 4.753 30 10 CJEE N#CCc1cc(-c2cccc(Cl)c2Cl)cnc1Cl 514262713 AHAMCNHWNMAAEP-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC[C@H](NC/C=C\c1ccccc1)c1ccco1 552043919 GTDLAXAEDOLZNF-GJBHZFNWSA-N 267.372 4.590 30 10 CJEE C#CCCCCCN(CCC(C)C)CCC(C)C 686679574 IFFUVVNLXGJVFS-UHFFFAOYSA-N 251.458 4.574 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccncc2Cl)C1 687992772 XSSVJTTWKBNKGS-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@H](C)CCC1CC1 691696584 QJZVUJBKKIIXOL-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](CC)CCCC 692202841 CCTXMTSBJBYOLA-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc3cscc3s2)C1 693992303 GVLVQLHWBSWTOO-ONERCXAPSA-N 291.441 4.716 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@@H](C)CN 697010879 JAJCWPGLUSHQHK-SJORKVTESA-N 271.489 4.643 30 10 CJEE C=C1C[C@H]2CC(NCC[C@@H]3CCC[C@@H](C)C3)C[C@@H](C1)C2 697335040 ZLJKOVMMHBANDY-TUHMIAJYSA-N 275.480 4.927 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCC 698111359 ZREXSWFQJBUFJK-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC(C)C)c1ccccc1 701872917 WJFRXVLOTHOVRB-KRWDZBQOSA-N 259.437 4.966 30 10 CJEE C#C[C@@H](N[C@@H](CCCCC)c1ccccc1)C(C)(C)C 702250856 MWIUVJQLUILVGT-ZWKOTPCHSA-N 271.448 4.946 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccccc1Cl 703995016 AXZZGRJVXVISHD-ZDUSSCGKSA-N 265.828 4.983 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1C[C@@H]1C(C)(C)C 704075964 LKKPTNJRPRDAJC-JYJNAYRXSA-N 268.489 4.641 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc2cnccc12 705714474 SSUVZZSBVUBVCE-SFHVURJKSA-N 268.404 4.632 30 10 CJEE C=C(Cl)C[C@@H](NCC)C1CCC(CCC)CC1 710548117 LXOHSHSHPMPCJF-YMAMQOFZSA-N 257.849 4.714 30 10 CJEE N#C[C@H](C(=O)c1cscc1Cl)c1ccccc1Cl 711537161 PAEMCVXEMGIZEW-VIFPVBQESA-N 296.178 4.545 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](C)[C@H]1CCCCO1 711837161 PSDCTJLLELLGMX-YESZJQIVSA-N 269.473 4.660 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 715790057 SYXWPANKIFVDLX-YQQAZPJKSA-N 251.458 4.783 30 10 CJEE CCCCCCCC1(CNCCC)CC(F)(F)C1 720365992 LUIKWYHLFDLKOA-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE C=C1CCC(CN[C@H]2C[C@H](C)c3ccccc32)CC1 724443635 USLGUDHVLXBADX-KSSFIOAISA-N 255.405 4.571 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cc(C)sc2C)CC1 724542993 UCTIBULFOGVHOE-ZDUSSCGKSA-N 263.450 4.762 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)cc2C)CC1 724587154 ZEXLOJBQNVJIKT-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1ccc(Cl)cc1C(C)C 932021691 JPUXMLZVBKHYCF-ZDUSSCGKSA-N 292.810 4.646 30 10 CJEE CC(C)(C)c1ccc(N=Cc2ccc(N3CCCC3)o2)cc1 1084196989 VVKLZKUERJKUJV-UHFFFAOYSA-N 296.414 4.928 30 10 CJEE C=CCCC[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 1124227966 YOCXRXHPIAMNGU-SFHVURJKSA-N 297.373 4.904 30 10 CJEE C=CC(C)(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 1124535977 MBFKRVANNBLARV-MRXNPFEDSA-N 291.822 4.510 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1sccc1CC 1128601071 XSRKILLAEPOYQJ-UHFFFAOYSA-N 299.439 4.529 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCC1(C)C 1129783705 DLSINBNOZFBIES-QZTJIDSGSA-N 299.458 4.506 30 10 CJEE C=CC1(CC(=O)N(CC)C2CC(C)(C)C2)CCCCC1 1129801669 SMTZUTRSXUDPSX-UHFFFAOYSA-N 277.452 4.550 30 10 CJEE C=CCCCCC[C@H](C)NCc1ccc2c(n1)CCCC2 1181266511 KNLPZDDSGHCODK-INIZCTEOSA-N 286.463 4.575 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)CCCCCC 1289492953 QIKHSEOFFOHHBY-JKSUJKDBSA-N 265.441 4.550 30 10 CJEE C#Cc1ccc(CN(C(C)C)[C@@H](C)c2ccsc2)cc1 1308822406 CSPIQEPNEPFXKK-HNNXBMFYSA-N 283.440 4.701 30 10 CJEE C=CCC[C@@H](CCC)Nc1ncccc1CSCC 1308914226 CMEAORTUCOIDLB-OAHLLOKOSA-N 278.465 4.882 30 10 CJEE C=CCC[C@@H](C(=O)N[C@H](C)CCCCC)c1ccccc1 1348219689 WBVSENMQMBYWFQ-SJLPKXTDSA-N 287.447 4.821 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CC1CCC(C)(C)CC1 1354026014 OPTPFBSQMQTKSQ-UHFFFAOYSA-N 299.458 4.808 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@H](CCC)CCc1ccccc1 1361009436 MLQXHRBEALMGSQ-MJGOQNOKSA-N 287.447 4.506 30 10 CJEE C=C(C)CCC(=O)Nc1cc(Cl)ccc1C(C)(C)C 1436042779 CYLWUNOCNJZHTQ-UHFFFAOYSA-N 279.811 4.932 30 10 CJEE C=C(C)c1cccc(NC(=O)C/C=C\Cc2ccccc2)c1 1456873004 OBICULYXFQSCGG-SREVYHEPSA-N 291.394 4.847 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 1458277499 WSQHXNBCSNHIDY-CQSZACIVSA-N 299.370 4.547 30 10 CJEE C=C[C@@H](OC(=O)C1CC(C(C)(C)C)C1)c1ccccc1 1461552027 WTISPXQHGXWOPW-UYSNPLJNSA-N 272.388 4.529 30 10 CJEE C=CC(C)(C)CNC(=O)c1c(-c2ccccc2)oc(C)c1C 1521352172 XLCARPWEFMZJQR-UHFFFAOYSA-N 297.398 4.505 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 1532388165 UODAUSXSLKMFCH-MAUKXSAKSA-N 280.367 4.569 30 10 CJEE C=C1CCC(CNC(=O)/C(C)=C/C2CCC(C)CC2)CC1 1537687262 ZDXUPSPNKRKVBR-FOWTUZBSSA-N 289.463 4.622 30 10 CJEE C=CCN(Cc1cccs1)Cc1cc(Cl)cs1 1560725412 DVYKOLLMFIFOGS-UHFFFAOYSA-N 283.849 4.651 30 10 CJEE C=CCCCCCCCNC(=O)/C=C/C1CCCCC1 1584288430 KKKCVAXDLGIJLM-CCEZHUSRSA-N 277.452 4.766 30 10 CJEE 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CCCCCCCCCCCCC(=O)[C@]1(N)CC1(C)C 2165917216 UIEUCLVTZVMNFZ-GOSISDBHSA-N 281.484 4.994 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2CC3(CCC3)CO2)CC1 2166426592 WUGCRBWHXGDJFA-WBVHZDCISA-N 278.436 4.511 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1COCCC1(F)F 2166690914 LSDFXBRQZSCZFT-AWEZNQCLSA-N 290.394 4.758 30 10 CJEE C=CC1(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)CCC1 2168024962 YLFKZOPUHFKWJQ-RJSVMHHESA-N 273.464 4.681 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](CC)[C@@H]1C 2171939593 SKIMEBAARZRHTB-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCCN1CC[C@@H](NCCC)C[C@@H]1C 2172014659 ZNQFFZZIGBOGNV-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE Cc1cc(C)c([C@H](O)[C@]2(C#N)CCCCC23CCC3)s1 2173621596 HCKOUMLXIUWOHG-DOTOQJQBSA-N 289.444 4.653 30 10 CJEE O=C[C@@]1(CCCOC2CCCCC2)CCCCC12CC2 2173678855 XKBGNCGPICTHQG-SFHVURJKSA-N 278.436 4.655 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](N)C(C)(C)F 2174191859 DBGDLOITIPKGJS-JKSUJKDBSA-N 289.479 4.734 30 10 CJEE CC1(C)C[C@H](CC2(C=O)CCC3(CC2)CC3)C(C)(C)O1 2176565670 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CC[C@@H]1CCC[C@@](CC#C[Si](C)(C)C)(CNC(C)C)C1 2187467530 DSZRDNWFCJGQEJ-MSOLQXFVSA-N 293.571 4.842 30 10 CJEE C[C@H](N(C)c1cc(Cl)c(F)cc1C#N)C1(C)CCCC1 2187840628 QUIMPQQWGANOCJ-NSHDSACASA-N 294.801 4.756 30 10 CJEE CCc1ccc(C#N)c(N[C@H]2CCCCCC2(F)F)c1 2188841595 XIRXNGFIYWZYMS-HNNXBMFYSA-N 278.346 4.501 30 10 CJEE C=CC1(CNc2cccc(SC)c2C#N)CCCCC1 2189507528 UJEVFJNTZPCQQZ-UHFFFAOYSA-N 286.444 4.829 30 10 CJEE C=CC1(CN[C@H]2c3ccccc3C[C@H]2C)CCCCC1 2189515988 CERPXJQWTPWNHV-CRAIPNDOSA-N 269.432 4.646 30 10 CJEE C=CCOc1ccccc1C(=O)CC1(CCC)CCC1 2189628699 NLAWXEFFOHQWOK-UHFFFAOYSA-N 272.388 4.795 30 10 CJEE CCCCCCCC[C@]1(O)CCOCC12CCCCC2 2189784987 JGHOZUOPGDPIDZ-SFHVURJKSA-N 282.468 4.839 30 10 CJEE CC(C)(C)C1(C[C@@]2(C#N)CCOC23CCCC3)CCC1 2191972021 NAGFWOOPOMGXLR-QGZVFWFLSA-N 275.436 4.836 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NCCC)C(C)=C(C)C 2192539027 HMUIBBUXTCNBCH-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(C2CC2)cc1 2194064476 ODDVNDWGSGSHBV-IBGZPJMESA-N 269.432 4.798 30 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297.870 4.760 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@@]12CC[C@@](CC)(C1)OC2 2201859597 MTNUYGNPTKOTPY-SQNIBIBYSA-N 282.468 4.837 30 10 CJEE CCCC#CC[C@@H](NCCC)c1ccccc1C1CC1 2203790770 JQRROFMFKPZVCS-LJQANCHMSA-N 269.432 4.798 30 10 CJEE CCCCCC#CC[C@H](NC)[C@]12CCCC[C@H]1CCC2 2203806523 DNWKFLQOBLSWQK-FHWLQOOXSA-N 275.480 4.909 30 10 CJEE CCCCC#CC[C@H](NCC)c1cccc(C2CC2)c1 2203810347 NMYTXTKPXRQKTJ-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCC#CC[C@H](NCCC)[C@@H]1CCC[C@@H](F)C1 2203811037 SVDKGZQGWHILJK-KURKYZTESA-N 281.459 4.857 30 10 CJEE CCCCCC#CC[C@H](N)[C@H](c1ccccc1)C(C)C 2203825722 DOZLJTWWAUVALH-OALUTQOASA-N 271.448 4.727 30 10 CJEE CCCCC#CC[C@@]1(CNC2CC2)CCC[C@H](CC)C1 2203825906 YHWSHYRXFKIEEX-PKOBYXMFSA-N 275.480 4.909 30 10 CJEE CCCC#CC[C@]1(CNCC(C)C)CCCC(F)(F)C1 2203833292 MHNQEMJFJFYMNT-INIZCTEOSA-N 285.422 4.621 30 10 CJEE C=CCCCCCC[C@H](O)C[C@@H]1OCc2ccccc21 2206903006 ONFONQMGKCNRBC-WMZOPIPTSA-N 274.404 4.536 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cccc(OCC)c1 2206903779 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CCCCCCCCCOC[C@H](N)c1ccc(C)s1 2230983288 MJRSXPKHBQHWLN-HNNXBMFYSA-N 283.481 4.824 30 10 CJEE CCCCCCC[C@@H](C#Cc1cccc(Cl)c1)NC 2230991115 BVJDRHKZQQTDMM-KRWDZBQOSA-N 277.839 4.640 30 10 CJEE C[C@H](C[C@@H](O)C#Cc1cccc(Cl)c1)CC(C)(C)C 2231095181 KRLLOTWTJLJBMW-CJNGLKHVSA-N 278.823 4.515 30 10 CJEE C=C[C@@H](C)CC(=O)c1cc(Cl)ccc1OC(F)(F)F 2231134079 LDYKFBCOTXQSDJ-MRVPVSSYSA-N 292.684 4.634 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)C[C@H]1CC2CCC1CC2 2231536472 JWSJKWJLXIIIKR-BNGPMPHDSA-N 263.469 4.783 30 10 CJEE O=C(C1=CCCCCC1)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233623856 PCJBWXDZDOENMI-GOOCMWNKSA-N 282.374 4.908 30 10 CJEE C=CC1(C[C@H](NCC)C2C[C@H]3CCC[C@H](C2)C3)CCC1 2233649870 UHHCMYICARYXGD-BQFCYCMXSA-N 275.480 4.927 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(C[C@H]2C[C@H]3CCC[C@H](C3)C2)C1 2233744488 AQQLGRFXEJFGAO-CWQOZTLDSA-N 275.436 4.692 30 10 CJEE C=CCCCCCCC[C@H](O)CCC1(N)CCCCC1 2235514054 PVRBESDEQFXQQF-KRWDZBQOSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCCC(=O)[C@@]1(O)CC(C)(C)C1(C)C 2235536186 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2277877442 QHWIYQKWCKMSQC-SKDRFNHKSA-N 291.382 4.938 30 10 CJEE CCCC[C@@](C)(CC=CC#CC(C)(C)C)CNC1CC1 2284075744 KOKYTXKZECPOQL-IBGZPJMESA-N 275.480 4.931 30 10 CJEE C[C@@H]1CCC[C@@]1(CC=CC#CC(C)(C)C)CNC1CC1 2284077025 OVBHXOZDGOWBSW-APWZRJJASA-N 273.464 4.541 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H](C)C1CCC1 2284088280 JLKQQGVRISEOJZ-FUHWJXTLSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCN[C@@H](C1CCCC1)C1CCC1 2284102580 HHSZROIRLFXNEE-SFHVURJKSA-N 273.464 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)[C@]1(C)CCCCC1(F)F 2284175503 KHYGOOMJMAAIHC-ZBFHGGJFSA-N 283.406 4.525 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)[C@H]1C[C@H]2CCC[C@H](C2)C1 2284178857 FKMUCJHSOJKLAO-MHORFTMASA-N 274.448 4.560 30 10 CJEE C=CCCCCCCC[S@](=O)[C@@H]1C[C@@H](C)CC[C@@H]1C#N 2287097703 YSMJUJFFYHSMGU-XLSPSMHOSA-N 295.492 4.590 30 10 CJEE C=CCCCSc1c(F)cc(CN[C@H](C)CC)cc1F 2287177971 LQCAIPGRKWPXNZ-GFCCVEGCSA-N 299.430 4.911 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](O)[C@H](CC)CCC 2287664245 TUKAEEUVWHYUSY-SQNIBIBYSA-N 285.516 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C=CCC(C)(C)[C@@H](O)c1cc(C)c2sccc2c1 2321235259 WLJBZFATJDAKKJ-HNNXBMFYSA-N 260.402 4.845 30 10 CJEE C=CCCCCCCCSC[C@H]1CC[C@H](O)CC1 2321568101 KPXNSGFCVDJYMG-WKILWMFISA-N 270.482 4.797 30 10 CJEE Cc1ccc(OC[C@@](C)(CS)C(C)(C)C)c(C)c1 2327101085 WTSVWVZNFDTVNM-INIZCTEOSA-N 266.450 4.664 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1C[C@H](F)C1 2327428039 PAUQHPNWLSZSFG-BZUAXINKSA-N 255.421 4.759 30 10 CJEE Cc1cc(Cl)c([C@@H](O)C#CC2CCCC2)c(Cl)c1 2327898336 HGLZJIMDQHOKON-AWEZNQCLSA-N 283.198 4.529 30 10 CJEE C=C(Cl)C(=O)CCC1CCC(CC(F)(F)F)CC1 2327968221 MGQOIIDCJFYQCL-UHFFFAOYSA-N 282.733 4.847 30 10 CJEE CSc1cc(Sc2ccc(C)cc2)ccc1C#N 2328535267 UPKSCRSWEFOWDC-UHFFFAOYSA-N 271.410 4.740 30 10 CJEE CCc1ccc(C(C)=NOCc2cccc(Cl)c2)cc1 2330452126 FITIWUOMBODTCA-UHFFFAOYSA-N 287.790 4.843 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@@H]1C(F)(F)F 2334660811 CSOMQWATZTUCSH-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCC[C@@H]2N 2335238801 PNINKCVLXFYTDN-KRWDZBQOSA-N 273.445 4.636 30 10 CJEE CC1CCC(CSc2c(F)cc(C#N)cc2F)CC1 2335383166 TVAGZSJMORXZNS-UHFFFAOYSA-N 281.371 4.755 30 10 CJEE CC(C)(CCC#N)CNc1cc(C2CC2)ccc1Cl 2338124244 QFFGNPXUIRWZJO-UHFFFAOYSA-N 276.811 4.959 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)C1CCC(C(C)C)CC1 2338733707 VDIJLEUKAZFKEY-VMWRSERWSA-N 263.469 4.935 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2338737846 HKOSNEGYGRHJCM-MXSMSXNCSA-N 263.469 4.805 30 10 CJEE O=C[C@]1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCC12CCC2 2338905199 ZIOFHCLIOONVNS-LISAXSMJSA-N 260.421 4.742 30 10 CJEE CCC[C@H](OCc1ccsc1C#N)c1ccccc1 2340548614 QRAURYOJDDWGNG-HNNXBMFYSA-N 271.385 4.678 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@H]2CC[C@H]2C(C)(C)C)C1 2343073998 ASFUBEYWCLRLIN-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 2343423952 NJOBQGAKLZMQFK-MXWKQRLJSA-N 296.197 4.606 30 10 CJEE C[C@H]1CC[C@](C=O)(Cc2cccc(C3CCC3)c2)C1 2343802904 XHCMRMBUQNZQFG-KBXCAEBGSA-N 256.389 4.502 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2cc(Cl)ccc2o1 2344342648 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C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)c(F)c1 36954338 MKLSJYWGFDRQIE-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 36973596 POTYCKIORNHJPI-PWSUYJOCSA-N 282.309 4.568 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(CC#N)cc1 37071293 IEKLSLLCBAUYGZ-ZTFGCOKTSA-N 270.420 4.625 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCC[C@@H]2C)C1 37145686 NLZPKHTZVAGBJO-LUKYLMHMSA-N 276.468 4.605 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cc(Cl)cc(Cl)c1 37970350 WUVOEODGPYZVMI-OAHLLOKOSA-N 297.229 4.870 30 10 CJEE CCC(C)(C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 54403236 KXJHXHHCYBIOCN-VIFPVBQESA-N 284.186 4.606 30 10 CJEE N#C[C@H](Cc1ccccc1Cl)c1c(F)cccc1Cl 57724145 ODZDBHWCUAJSFB-NSHDSACASA-N 294.156 4.982 30 10 CJEE CC(C)c1ccc([C@H](C#N)Cc2cccc(N(C)C)c2)cc1 57758936 XFPOEOALUWUDCK-IBGZPJMESA-N 292.426 4.726 30 10 CJEE N#CC1([C@@]2(O)CCCC[C@H]2C2CCCCC2)CCCCC1 91876076 HBOFLOLWPYGZMQ-PKOBYXMFSA-N 289.463 4.962 30 10 CJEE C=C(C)C[C@H](NCC)C1(c2ccccc2)CCCCC1 92129631 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CCCCCCCC[C@@H](CCC1CCCCC1)NN 122393943 YYITWRYCFNLQOP-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCC[C@H](Cc1cccc(Cl)c1)NN 125371157 ZFILXQVOOLDUGE-QGZVFWFLSA-N 296.886 4.855 30 10 CJEE CC(C)(CNc1ccc(Cl)cc1C#N)c1cccs1 126018736 RYKQNFZFHFPINZ-UHFFFAOYSA-N 290.819 4.663 30 10 CJEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1ccccc1F 127256483 NOOBBOSQPTYQFE-MRXNPFEDSA-N 286.325 4.708 30 10 CJEE CC[C@H](C)c1ccccc1Oc1ccc(N)c(CC#N)c1 127590526 WPRRWEBSEHSHOQ-ZDUSSCGKSA-N 280.371 4.641 30 10 CJEE CCCNc1c(C#N)cnc2c(Cl)cc(C)c(Cl)c12 128481390 DLTIOXBNKPHTRU-UHFFFAOYSA-N 294.185 4.544 30 10 CJEE CCCCCCCCCOc1ccc(CC(C)=O)cc1 132091413 DOLZJUDXCOWEEU-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cccc(C(F)F)c2)CC1 132325287 GOZCVMCSRSKPSH-VXKCQOAXSA-N 293.357 4.768 30 10 CJEE C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(C#N)s1 134837690 VEHVRQOSDOPVEX-ZDUSSCGKSA-N 298.455 4.768 30 10 CJEE CCCCCCCCCCC[C@@H](O)C(F)(F)F 136546836 IOSSFFLUYOSZSC-GFCCVEGCSA-N 254.336 4.831 30 10 CJEE CCCCCCCC[C@](C)(O)c1c(F)cccc1OC 167629100 VJBINXGOSWKZHF-KRWDZBQOSA-N 282.399 4.792 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CCCC(=O)O 217538298 SUESMKJJGAOOGC-MRXNPFEDSA-N 286.456 4.913 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)Cc2cccs2)C1 218481780 YJWAVULFTNCQPT-INMHGKMJSA-N 290.476 4.679 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@@H]32)s1 226655616 BFUVLFXHIZMVEU-QWQRMKEZSA-N 292.407 4.755 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 227925925 CZBJEMWATZQWJQ-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](O)c2ccccc2O1 229397927 WPBFSCVQEZQYAU-WBVHZDCISA-N 262.393 4.622 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc2sccc2s1 229736197 RZNGOWSIPOQYEC-NSHDSACASA-N 265.447 4.970 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc2ccc(F)cc2s1 229749817 JDLGQOKHBLHZJY-OAHLLOKOSA-N 263.381 4.657 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCCc2cccnc21 229780444 GBURBVJLJMCWKD-ROUUACIJSA-N 288.479 4.970 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(C)nc(C)c1 231665771 OGQIROWBFQXICX-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1C[C@@H]1c1ccccc1 234455000 BHWLXALZASNAHK-FGTMMUONSA-N 257.421 4.515 30 10 CJEE Cc1cc([N+](=O)[O-])ccc1N=Cc1ccc2ccccc2c1 254611202 SZQUHVVZXLTZTH-UHFFFAOYSA-N 290.322 4.807 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2c(c1)OCC2 308419708 WJRJGPZZIRQDOT-KRWDZBQOSA-N 276.420 4.796 30 10 CJEE C[C@@H]1C[C@@](C#N)(Nc2ccc(Cl)cc2)c2ccccc21 313458041 CWZOYPKZOSUJQL-PXAZEXFGSA-N 282.774 4.678 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 317956853 JBENHXAYDBWGQO-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCCC[C@@]1(CNCCOC)CC[C@@H](C)C1 319214701 MFOGJGMAKAZXMX-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCCC[C@H](CNC(C)C)OCC 319971555 QZQFQOMDOKGBPK-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE N#Cc1c(Cl)cccc1OCC/C=C/c1ccccc1 323717783 NUTVNAOFFSAFLJ-RUDMXATFSA-N 283.758 4.694 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1c(F)cccc1Cl 380155423 JOIHGOSTQGBUBB-GHMZBOCLSA-N 253.748 4.768 30 10 CJEE CCC(CC)(c1ccccc1)[C@@H](N)CC#CC(C)(C)C 380429132 LVMVSOJIZWVQFE-KRWDZBQOSA-N 271.448 4.511 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccc(C)s2)C1 387440767 SCHQJSVCZUHWAT-KLHDSHLOSA-N 290.476 4.768 30 10 CJEE C=C(COC(C)C)[C@H](C[C@H](C)CC(C)(C)C)NCCC 387642686 INYUDNHHTRMPKC-RDJZCZTQSA-N 283.500 4.798 30 10 CJEE C[C@@H](CCS)CCOc1cc(C(F)(F)F)ccc1F 396391791 ZPYPEUPLHQCMNC-SECBINFHSA-N 296.329 4.569 30 10 CJEE N#C[C@@H](CNc1ccc(C(F)F)cc1)C1CCCCC1 397458546 ORESNCZAANOXML-AWEZNQCLSA-N 278.346 4.756 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCCCC1(F)F 400493956 DYFUYZMFVBTGJM-KBPBESRZSA-N 273.411 4.782 30 10 CJEE CC[C@H]1CCCC[C@H]1CNc1cc(C#N)cc(F)c1C 401578979 WLQMDCODSFOGSO-GJZGRUSLSA-N 274.383 4.634 30 10 CJEE N#Cc1ccnc(-c2cc(Cl)c(Cl)c(Cl)c2)c1 514261171 FBJLUGOLABZABB-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE N#C[C@@H](CNc1ccc(SC(F)F)cc1)C1CCCC1 690222138 WUUSZOJZOVYXKS-LBPRGKRZSA-N 296.386 4.743 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCCSCC1 690373594 MWSDMYLSMOYSHW-LSDHHAIUSA-N 258.471 4.631 30 10 CJEE C=CCC1(NCc2cc(C)cc(Cl)c2)CCCC1 690748875 JACJPLVDPGGNKG-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](N)CC(C)(C)C1 694523470 FIUVSRVSKJIACF-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H](C1)C2 697294954 FVHOWUNNKXIJGG-OKWREHDQSA-N 261.453 4.536 30 10 CJEE CCCCCCCn1c(N)nc2ccc(Cl)c(C)c21 703728077 PUZAZXPKMZSJNZ-UHFFFAOYSA-N 279.815 4.551 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(Cl)cc1C 710640055 XINNWAQFCDFCLM-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE CCCCCCCCC[C@]1(O)CCC[C@H](NCCC)C1 712775366 WDRXIRFWJTURLC-ROUUACIJSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccccc1SC 715768710 KIJGJQDJBOCTAH-XJKSGUPXSA-N 263.450 4.661 30 10 CJEE C=CCC1(Nc2cccc(C(F)(F)F)c2N)CCCC1 717182547 TZLODNXCOFLFQW-UHFFFAOYSA-N 284.325 4.588 30 10 CJEE CCCCCCC[C@@H](CCc1ccns1)NCCC 719824795 YHKJWTZPBGQVAP-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C=C1CCC(Cn2c(S)nc3cc(Cl)ccc32)CC1 724462597 ZTOIWVLRLLACDS-UHFFFAOYSA-N 292.835 4.725 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](C)CC(C)C)CC1 724618986 RAYDUXCKANJFSV-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE C#CCCCCNC/C(C)=C/c1cccc(C(F)(F)F)c1 808395855 PVYPZCFOHWEWPJ-SDNWHVSQSA-N 295.348 4.502 30 10 CJEE C=CCC(C)(C)CNC(=O)C/C=C/c1ccc(C(C)C)cc1 1129235933 WLNFFPNETQPTFK-BQYQJAHWSA-N 299.458 4.932 30 10 CJEE C#CCCOc1ccc(CN[C@H]2CCCC[C@H]2CCC)cc1 1177655372 FOOREUGPBVXSNA-QUCCMNQESA-N 299.458 4.537 30 10 CJEE C#C[C@@H](CC)NCc1ccc(-c2ccc(Cl)cc2)cc1 1205713691 GGGYRZOCMMFEEK-SFHVURJKSA-N 283.802 4.508 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cc(C)c(F)cc1Cl 1217619486 AYZNNJCMVXGMIM-UHFFFAOYSA-N 298.789 4.511 30 10 CJEE C#Cc1cccc(N(C(=O)CCC2CCCCC2)C(C)C)c1 1264943079 RTWAQIAWBPZALS-UHFFFAOYSA-N 297.442 4.770 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc2ccccc2c1 1288551948 LUIPWRRNDZKDHM-UHFFFAOYSA-N 281.399 4.562 30 10 CJEE C=CC(C)(C)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1354779439 UCAWAAJCGDOEDI-UHFFFAOYSA-N 279.383 4.529 30 10 CJEE C=CCCC(=O)COc1cccc(C(C)(C)C)c1Cl 1459170395 IFQSCEVPOHHWMD-UHFFFAOYSA-N 280.795 4.552 30 10 CJEE C=CCCCCNC(=O)[C@@H](CCC)c1ccc(Cl)cc1 1459358363 MVMFHYUBZYMWSV-INIZCTEOSA-N 293.838 4.696 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccccc2)cc1OC 1461509709 HTEBGNXJCRHWMS-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](C(C)C)C(F)(F)F 1462123392 ZOZACLSPOFQGGT-OLZOCXBDSA-N 265.363 4.688 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1 1463259598 WIALKXMKWKDUQE-GDIGMMSISA-N 291.394 4.708 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(CC)cc1 1465122158 NQFOLWBXDATVBR-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCC1(Cc2ccccc2)CCCC1 1520931116 DCMSJCMGGPVXGF-IBGZPJMESA-N 299.458 4.508 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1ccc(SC)cc1 1524229690 MMHXMGDMIRYMBV-LBPRGKRZSA-N 278.417 4.615 30 10 CJEE C=CCCCCCCCNC(=O)c1cc2c(C)cccc2o1 1527549202 CFVIGDLLGLRPIL-UHFFFAOYSA-N 299.414 4.998 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC)c(CC)c1 1528527120 GRUCURPIIGRSRG-IEBWSBKVSA-N 299.458 4.676 30 10 CJEE C=CCC1(NC(=O)C[C@@H]2CCCC[C@H]2C)CCCCC1 1543288717 NPYWAEWFKPQZMK-CVEARBPZSA-N 277.452 4.598 30 10 CJEE CC(=O)c1cccc(C#N)c1OCCCC1CCCCC1 1559457263 HVMNANCFLIQADK-UHFFFAOYSA-N 285.387 4.500 30 10 CJEE C=C(C)c1cccc(NCc2cc(F)cc(OCC)c2)c1 1560611993 SNJWSUMGSBBBOM-UHFFFAOYSA-N 285.362 4.870 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCSC(C)(C)C 1617465577 HRFPGWBJQLQNNQ-LSDHHAIUSA-N 297.508 4.549 30 10 CJEE C#CC[C@@H]1CCCN(Cc2ccc(C3CCCCC3)cc2)C1 1618791834 MRPNPMUKYWVFPQ-GOSISDBHSA-N 295.470 4.970 30 10 CJEE C=C(C)c1cccc(NC2CCC3(CC2)CSC3)c1 1621555849 OIGTWYMAUMRLHB-UHFFFAOYSA-N 273.445 4.807 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@@H]1CCCC1(F)F 1641653397 OKDNCYZMFKOWJQ-KRWDZBQOSA-N 293.401 4.543 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H](C)CC(C)(C)C 1644388742 HDERSOMCRFJWQO-HNNXBMFYSA-N 277.427 4.886 30 10 CJEE CCCCCCCCCCN1CCS[C@H](CC)C1 1644697819 IAVIEWKRGZADPW-MRXNPFEDSA-N 271.514 4.955 30 10 CJEE CC[C@@H](CC#N)N[C@@H](Cc1cccc(Cl)c1)CC(C)C 1652110493 CFAIEHBHMFMWAV-DLBZAZTESA-N 292.854 4.579 30 10 CJEE C=CCCCN1CCCSc2ccc(Cl)cc21 1653652884 PQHVGPKVVAOOFU-UHFFFAOYSA-N 267.825 4.608 30 10 CJEE C=CCC[C@H](C)Nc1cc(F)c(N2CCCCC2)c(F)c1 1657540936 DJYBTZIQTARFPK-ZDUSSCGKSA-N 294.389 4.722 30 10 CJEE C=C(C)c1cccc(NC/C=C/c2ccc(N(C)C)cc2)c1 1658115041 FYRFPSGHQUJPOK-VOTSOKGWSA-N 292.426 4.911 30 10 CJEE C=CCN(Cc1ccc(Sc2ccccc2)cc1)C1CC1 1658784864 SICKZMZRDGWHGM-UHFFFAOYSA-N 295.451 4.988 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 1658896340 YJXPRYACWYLDPT-LRDDRELGSA-N 281.390 4.996 30 10 CJEE CC(C)(C)CN(CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 1658954971 DXDIICKZBAVJRZ-UYAOXDASSA-N 298.474 4.759 30 10 CJEE C#Cc1cccc(N[C@H]2CCC[C@@H]2c2ccc(C)cc2)c1 1659361949 WSGMSNJCKJSAQY-UXHICEINSA-N 275.395 4.725 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc(CC)c(Cl)c1 1671669286 QXVFFGVYUTYRCB-UHFFFAOYSA-N 294.826 4.626 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCC[C@H](C)CC2)CCCCC1 1671683287 XRGNGGPVIPECNC-JKSUJKDBSA-N 292.467 4.533 30 10 CJEE C=CCCCCCN(CCC=C)Cc1ccccc1 1881297403 FQIZNDCJTUHRLP-UHFFFAOYSA-N 257.421 4.811 30 10 CJEE CCCC[C@@](C)(C=O)CC1CC2(C1)C(F)(F)C21CC1 1882112434 IJPOLCFXDBEMHE-JVWICGRDSA-N 270.363 4.597 30 10 CJEE C#C[C@H](c1ccccc1)N(CC(C)C)C(CC)CC 1883327590 GSQRKVCAQPKSPO-GOSISDBHSA-N 257.421 4.508 30 10 CJEE CC#CCCCC[C@@](N)(CC)C1CCC(F)(F)CC1 1885379902 FFWMHLYKKSTQAT-HNNXBMFYSA-N 271.395 4.503 30 10 CJEE C=CCCCCC[C@@H](O)c1ccccc1OC(C)C 1886405957 WFQZYGKJAZNHPG-MRXNPFEDSA-N 262.393 4.644 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C1(C(C)(C)C)CCC1 1888683019 TUVVLYSTESTCGH-MRXNPFEDSA-N 257.421 4.504 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@]1(C)CC1(C)C 1888701413 NSSRZMFPWUNHSJ-AEFFLSMTSA-N 257.421 4.504 30 10 CJEE CCCC#CC[C@H](N)c1cscc1OCc1ccccc1 1902904256 LATMTUZWJOMVAA-KRWDZBQOSA-N 299.439 4.521 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H](C)OCc1ccccc1 1906518397 VGSIQHABWOIGKG-MJGOQNOKSA-N 289.463 4.706 30 10 CJEE CC(C)C1CCC(C#N)(c2ccnc(C3CC3)c2)CC1 1912993875 ZDKFUNOCYSGCKH-UHFFFAOYSA-N 268.404 4.567 30 10 CJEE CCC[C@@H](CS)CN(C)[C@@H]1CCC2(CCCCC2)C1 1916122727 JKTFFOHGYUZRLP-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc2cnccc2c1 1919873726 YTLITOCXPWTKLI-GOSISDBHSA-N 271.404 4.803 30 10 CJEE C=C([C@@H](NCCC)c1cc(C)cs1)C(C)(C)C 1947458369 YCWOIFNMAWLINJ-CQSZACIVSA-N 251.439 4.700 30 10 CJEE C=C([C@@](C)(N)c1cccc(Cl)c1Cl)[Si](C)(C)C 1949138821 IANSHCAKSJFSBM-CYBMUJFWSA-N 288.294 4.601 30 10 CJEE C[C@@H](COCc1ccccc1)C[C@]1(C#N)CCCC12CC2 1957115659 AVWPZPGYAHEVCD-APWZRJJASA-N 283.415 4.703 30 10 CJEE C(#CC1CCCCC1)CN[C@H]1CCCC12CCCCC2 1966456757 CEQLJLVNVZZHQQ-SFHVURJKSA-N 273.464 4.663 30 10 CJEE Cc1cc(NCc2ccc(C#N)s2)c(C)cc1Cl 1969319653 WIAPZOJNELPZOG-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCC1(CC)CC(Nc2ccc(Cl)cc2C#N)C1 1972936064 CQGULSQYZRVZID-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE C=C(Br)CCNc1ccccc1C1CCC1 1973431899 XKVBFMGMZQDOMC-UHFFFAOYSA-N 280.209 4.665 30 10 CJEE N#Cc1ccc(N[C@H]2CCCC(F)(F)CC2)c(Cl)c1 1973596744 IUXCJDIKBXLIIM-NSHDSACASA-N 284.737 4.592 30 10 CJEE C=CCCCC[C@H](N)c1ccc(C)c(Br)c1 1984514785 DSIBYJVDWHNBKT-AWEZNQCLSA-N 282.225 4.504 30 10 CJEE C#CCCCC[C@H](NCCC)c1cc(Cl)cs1 2005504746 OBPCHUIGESHFQQ-ZDUSSCGKSA-N 269.841 4.636 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H](C)C(F)F 2008591740 UIPXADQUCVDYJR-GXTWGEPZSA-N 250.373 4.779 30 10 CJEE C=CC1(NCc2cc(C)c(Cl)s2)CCCCC1 2008708785 JEKWTHXZZFEREU-UHFFFAOYSA-N 269.841 4.688 30 10 CJEE CCCC[C@H](CC)Nc1cccc(Cl)c1C#N 2018079260 KVTKYUFXZDSNFF-NSHDSACASA-N 250.773 4.592 30 10 CJEE CCCCCCCCCNCc1nc(Cl)cs1 2020410193 RLXLXAMQGBZCFX-UHFFFAOYSA-N 274.861 4.637 30 10 CJEE C=CCCCCCCNCC(CC)(CC)SC 2026014359 IINGMIYVGDFYCN-UHFFFAOYSA-N 257.487 4.634 30 10 CJEE CCC[C@H](CC)OCC1(CS)CCCCCC1 2026322291 UQPRNEVTNPSKJT-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE C=C(CC)C[C@H](NCCC)C1C[C@@H](C)C[C@H](C)C1 2030234695 KNNLVAJKMFIVRD-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCCCC1(F)F 2035274379 LJCSGAVGFYISFW-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(Cl)c1C 2040529577 LOKQLLNNZQWEKE-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1sccc1CC 2040529850 NBIKRIYJBLDFMR-DZGCQCFKSA-N 265.466 4.954 30 10 CJEE CC[C@@H]1CCC[C@@H](C(=O)C2=CCC(F)(F)CC2)C1 2045234001 XLYHZHOEGJEYFF-DGCLKSJQSA-N 256.336 4.518 30 10 CJEE CCCCCCCC(=O)CC1C[C@H]2[C@H](C1)C2(F)F 2045847135 IMHIRAOYZVPSRE-KBPBESRZSA-N 258.352 4.597 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@]1(C)CCCC1(F)F 2048985983 HTTKYWGKGBGGFV-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CC1(C[C@@H](N)c2ccc(SCC)cc2)CCC1 2049033512 SNXNLPPDKGJAEK-OAHLLOKOSA-N 261.434 4.545 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CC[C@H](C)[C@H](C)C1 2052910510 PNVZMSDKBBQCMW-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC1(CO)CCC(F)(F)CC1 2057457745 LTLVBBBSZPDJCH-UHFFFAOYSA-N 262.384 4.925 30 10 CJEE C=C(F)C[C@H](NCCC)C1CC2(CCCCC2)C1 2062219055 FJVQAOANKXCRAV-HNNXBMFYSA-N 253.405 4.588 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1cc(Cl)c(F)cc1C#N 2064630946 PGURKAGYKIAUFL-ZJUUUORDSA-N 268.763 4.587 30 10 CJEE N#C[C@]1(C[C@@H]2[C@H]3CCCC[C@H]32)CCCC(F)(F)C1 2065227774 WPXVPFRTRUMWTP-DGAVXFQQSA-N 253.336 4.532 30 10 CJEE C=CCCCCC[C@@H](O)[C@]1(C)CCCC(F)(F)C1 2068389805 QQFYBBUJLHYFFK-ZIAGYGMSSA-N 260.368 4.699 30 10 CJEE CCCCCC/C=C/c1ccc(CCOC(C)=O)cc1 2069566445 JQSQPQJMIHHOPQ-CMDGGOBGSA-N 274.404 4.776 30 10 CJEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(F)cc1 2070123270 HRIAEKJMGPWWDH-CQSZACIVSA-N 296.389 4.661 30 10 CJEE CC(F)(F)C1(C[C@@]2(C#N)CCCCC23CC3)CC1 2071268646 XTFBHDATHJCZKD-OAHLLOKOSA-N 253.336 4.676 30 10 CJEE CCC1CCC(C=O)(CC2(C(C)C)CCC2)CC1 2071908097 KAPYFKHDHNLNGL-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CC(C)(C)C1CCC([C@]2(C#N)CCCSC2)CC1 2073857322 JOUHCPKITFNXAG-XUJLQICISA-N 265.466 4.876 30 10 CJEE CC#CCCCC[C@@H](C[C@H](CC)C(C)(C)C)NC 2075361493 ZCROYUCQCIVQGB-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE C=CCC[C@H](C)[C@](C)(N)c1cc2ccccc2s1 2075816406 DLCINWWNSSOVKT-LRDDRELGSA-N 259.418 4.678 30 10 CJEE Cc1ccnc(-c2cc(Cl)c(C#N)s2)c1C1CC1 2080387379 CDPYXRKSDOELDH-UHFFFAOYSA-N 274.776 4.521 30 10 CJEE C=CCCCCCC[C@H](NCC)C(C)(C)CCF 2085843716 FIHZOLQEUBAGAD-HNNXBMFYSA-N 257.437 4.877 30 10 CJEE C=CCCCCCCCCN(C)CC1CC(C)C1 2086234899 XHSZMXABRQLDBM-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=CCCCCCCCCN1CCSCC[C@H]1C 2086244685 SYDXSOOTPUUVDF-MRXNPFEDSA-N 269.498 4.731 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1SCC[C@@H]1C 2086282296 HHWUNRDXFNZJPG-HRCADAONSA-N 269.498 4.762 30 10 CJEE CCCCCCCCC(=O)CC[C@H]1CCCC[C@@H]1N 2087456157 GUHOJRNRZVLMFM-WBVHZDCISA-N 267.457 4.604 30 10 CJEE CCSc1cccc(NCC(C)(C)C2CC2)c1C#N 2088014168 LIFKIBUBDQIEEB-UHFFFAOYSA-N 274.433 4.518 30 10 CJEE C#CCCN(C[C@H](CC)CCCC)C1CCCCC1 2089381815 IDCMWMVINBZHFS-QGZVFWFLSA-N 263.469 4.861 30 10 CJEE CCCC(CS)(CCC)CN1CC(F)(F)CC[C@@H]1C 2089767712 FZFWAWNOQSGBJK-ZDUSSCGKSA-N 293.467 4.622 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H](N)CCCC 2090154166 DNGNPMWQRYPDOC-DLBZAZTESA-N 271.489 4.786 30 10 CJEE CC1(C)CCC[C@]1(C#N)[C@H](O)c1c(Cl)cccc1Cl 2093005493 JVLMOWGKLQHJKY-HIFRSBDPSA-N 298.213 4.747 30 10 CJEE CCC[C@@H](C(C)C)[C@@H](CC#CC1CCCCC1)NC 2093444061 QBTXQEXPGBDTNP-ZWKOTPCHSA-N 263.469 4.621 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@]1(O)CC#CC1CCCCC1 2093459298 FFJYXFFROIRPFZ-CRAIPNDOSA-N 262.437 4.538 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CC[C@]2(C1)CC2(F)F 2099937260 KTYMQODLFGVPME-KKUMJFAQSA-N 271.395 4.536 30 10 CJEE C=C1CCC(N[C@H]2CCCCCCCC2(F)F)CC1 2101204496 RRODQSITSVQJQO-HNNXBMFYSA-N 271.395 4.823 30 10 CJEE C[C@@H](N(C)C[C@H](CS)C(C)(C)C)C1(C)CCCCC1 2101358849 PXWIHLVTMLFJPL-HUUCEWRRSA-N 285.541 4.869 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)C1CCC(SC)CC1 2102101407 VIENWAIJETYJFT-OTBWCIGPSA-N 283.525 4.879 30 10 CJEE Cc1sc(C(C)(C)C#N)nc1C1CCC(F)(F)CC1 2102238803 MDALSOZOCOERHA-UHFFFAOYSA-N 284.375 4.546 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2104943941 YKEHAGJOKRMECH-GWCFXTLKSA-N 290.350 4.705 30 10 CJEE CCCCCCCCC[C@@H](O)c1nc(C(C)C)ns1 2107169564 OTMVMQBNAWBCRK-CYBMUJFWSA-N 284.469 4.836 30 10 CJEE C=C[C@@](N)(C[C@@H]1CCC=CCCC1)c1ccccc1 2107453249 HVAAEBLHFMPWBZ-SJLPKXTDSA-N 255.405 4.553 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC(C)=C[C@@H](C)C1)C(C)(C)C 2107952220 MVGQIPINZKYFDA-COXVUDFISA-N 263.469 4.949 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1nc2ccccc2s1 2108201688 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C=CCCCS[C@H](CC)[C@H](NCC)c1ccccc1 2271484093 AEBHZFNPEDZVNE-IAGOWNOFSA-N 277.477 4.815 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H]1CCC[C@@]2(C1)CC2(F)F 2271784409 FMTZILDUCMYIOU-QLFBSQMISA-N 271.395 4.666 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2271796225 DLUDBVFCUQJOLK-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1cc(Cl)ccc1OC 2271841965 QYFYRVNLNYENJO-MRXNPFEDSA-N 282.811 4.693 30 10 CJEE C=C[C@@](C)(CC[C@@H](C)CCCC(C)C)C(=O)OCC 2272303882 SPGYKWGAYLIFGI-RDJZCZTQSA-N 268.441 4.984 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1ccccc1C#N 2272344247 UVOVTRQPKGPNNS-OAHLLOKOSA-N 258.409 4.823 30 10 CJEE C[C@H]1C[C@@](C=O)(CC2CC(CC(C)(C)C)C2)CCS1 2274150024 GPJQRPHCOCESBP-PBMMVSLJSA-N 282.493 4.940 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)CC)OCCN 2276393979 XCETWBLMCYBEJJ-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1CC1(C)C)OCCN 2276741768 ZBYDFCFDJKIERE-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE CCCCC#CCC(=O)c1sc(C(F)(F)F)cc1C 2277873203 QZVZHZGMPJTKIW-UHFFFAOYSA-N 288.334 4.842 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCC(C)C 2278245857 XJEZFEFKDGREGU-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE CCCCCCCCC[C@@]1(C)CC(=O)NC12CCC2 2278247226 MHTRMVNJTNIILQ-INIZCTEOSA-N 265.441 4.576 30 10 CJEE C[C@@H]1CCC[C@@H](CCn2ccc3c(C#N)cccc32)C1 2279813925 SHEQGWCDNNHAFE-CABCVRRESA-N 266.388 4.729 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc2cccnc2s1 2280201417 HLDSLWLPLIAYSY-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1c(F)cccc1C#N 2280425509 ZQCYVZRBHCCTPU-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE N#CC1(C[C@H]2CC(F)(F)C23CCC3)C[C@@H]2CC[C@H](C1)S2 2280995486 LTQBJIPEKZGCHB-ICIURTGMSA-N 297.414 4.770 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CCC(C)(C)C1 2284098046 DAGURWPQNPWKFF-DLBZAZTESA-N 275.480 4.787 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(C)cc2occc12 2284306945 YNDOUMGUWVICMY-ZFWWWQNUSA-N 270.376 4.683 30 10 CJEE C=CCCCS[C@H]1CC(C)(C)C[C@](C#N)(NCCC)C1 2287090053 OJYFFEKRPPHWJL-DOTOQJQBSA-N 294.508 4.526 30 10 CJEE C=C(C)CCCC[C@H](N)[C@@H](O)CCCCCCCCC 2287389221 BOHFQTORYHHXJN-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@](C)(O)CCCCC 2287393422 ZDJMRXYUHKTWAP-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCC[C@](C)(O)[C@@H](CC[C@@H](C)CCCC(C)C)NC 2287918658 NDHDXNYTPFFPNG-KSZLIROESA-N 283.500 4.534 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@]12CCC[C@@H]1CC2 2288942157 SYGRVMYTGVBCAG-QRVBRYPASA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@]12CCC[C@@H]1CC2 2288973863 DXDYQLVYHFXRAB-ZHALLVOQSA-N 273.464 4.541 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@@]12CCCC[C@H]1CC2 2289010209 GMRYJUMKMKTNMJ-LRDDRELGSA-N 292.785 4.733 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1CCCCC1(C)C 2289680889 IOGKTPYPMWWKRR-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE C=CCCCCC[C@@](C)(OCC(=O)O)c1sccc1C 2292708386 DKALXXRRZDBANY-MRXNPFEDSA-N 296.432 4.509 30 10 CJEE C=CCC[C@](C)(CCCCC[C@@H]1C[C@H]1C)OCCCN 2292737937 STJINJBGKOOUTJ-KZNAEPCWSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC12CCCC2 2292808409 CQGMHTZOYPMVAL-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@](CC)(OCCCN)C1CCCCC1 2293280790 OAPKYNYBCRKHNP-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CC1(C)C)OCCCN 2293332032 YABRLZBJKMRQRK-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1CC(CC)C1 2293541926 HNMUILCJDKLGEG-DAWZGUTISA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H]1CCC[C@H](CC)C1 2293678532 KHGLDRNPNAOTGJ-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=C(C)CC[C@@](C)(OCCN)C1CCC(C(C)C)CC1 2294060634 XCXSFIFOBDQRBO-DAWZGUTISA-N 281.484 4.539 30 10 CJEE C=C(C)CC[C@@H](OCCN)C1CCC(C(C)(C)C)CC1 2294067431 ZRVPWVLBXYUBQB-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE C=C(CC)C[C@@](C)(OCCCN)[C@@H]1CCCC(C)(C)C1 2294186124 PFAFIHIIWLUUKV-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@]12CO[C@](C)(C1)C2 2295581187 ZYFOTOMLJNNMAV-KURKYZTESA-N 281.484 4.804 30 10 CJEE C=CC[C@H](C)[C@@H](NC)[C@](C)(O)CCCCCCCCC 2295679382 ORJQETAUSWFOJE-RCCFBDPRSA-N 283.500 4.678 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@H](C)CO1 2295686270 HBIJIKDZGMOLFY-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CC(=O)C=Cc1ccc(-c2cccc(Cl)c2C)o1 2296515323 WCHBABCZJSUADG-UHFFFAOYSA-N 260.720 4.511 30 10 CJEE Cc1ccc(C(=O)C=CNc2cc(Cl)ccc2C)cc1 2297734735 OTLRMYCWPPPZJG-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)ccc1Cl 2304024617 MHXIWYGZIOFBRB-CABCVRRESA-N 251.801 4.641 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)c(C)c1 2304040394 FTTYBAVVOGPBRQ-GJZGRUSLSA-N 251.801 4.641 30 10 CJEE N#CC1(Cc2cc(F)c(Cl)cc2Cl)CCCC1 2306206250 BDCRTGGREQYTRD-UHFFFAOYSA-N 272.150 4.759 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@@H]2C1)NC 2309147260 CBXSPPQVRROKOA-NCOADZHNSA-N 251.458 4.761 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1F 2309815156 PEDOZPYTMDIGEJ-OWCLPIDISA-N 257.437 4.853 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(Cl)c1 2315465840 PRARDTNFEZQXMR-WOSRLPQWSA-N 263.812 4.735 30 10 CJEE CCC[C@@](C)(C#N)Cc1cc(F)ccc1C(F)F 2316180457 QVAOWEHPDDCWGN-CQSZACIVSA-N 255.283 4.636 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1ccc(Cl)s1 2316323579 DXMDFDRPIAYBCU-GFCCVEGCSA-N 295.860 4.555 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1c(F)cccc1Cl 2316737903 BMINGTZIJWBANG-OAHLLOKOSA-N 267.775 4.508 30 10 CJEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)CNC 2318661910 MXFVJACSAUDKEA-GFCCVEGCSA-N 286.246 4.728 30 10 CJEE SC[C@H](COCCC1CCCCCCC1)C1CC1 2319464692 NSZCRXSXMPNJQW-INIZCTEOSA-N 270.482 4.710 30 10 CJEE CCCC(CS)(CCC)COCC[C@@H]1C[C@@H]1CC 2320433667 AFGXYWDSHYUNPF-LSDHHAIUSA-N 272.498 4.956 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CCCC[C@H]1C 2321094672 ATVPZMXHKFQNER-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1CCCC[C@H]1C 2321094674 ATVPZMXHKFQNER-OWCLPIDISA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H](C)CC1CC1 2321113307 NQZPMPYSRLBMBE-UAGQMJEPSA-N 251.458 4.783 30 10 CJEE C[C@@H]1CCC[C@@H](COC[C@@](C)(CS)C(C)(C)C)C1 2327099201 GOJVQWIMMPDKOS-FMKPAKJESA-N 272.498 4.812 30 10 CJEE CCCC[C@H](CC)N(C)C[C@@](C)(CS)C(C)(C)C 2327277873 HXRLKCFGOJJXFW-HOCLYGCPSA-N 273.530 4.869 30 10 CJEE CC(C)CC[C@@H](C)N(C)C[C@](C)(CS)C(C)(C)C 2327298047 KNMFNPWNIKYPSU-GDBMZVCRSA-N 273.530 4.725 30 10 CJEE C#CC[C@@H](C)CN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327871616 CZGFARVVSBBZNR-PWSUYJOCSA-N 284.230 4.612 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1ccc(Cl)cc1 2335096814 RAMMUEGHEGLOQN-INIZCTEOSA-N 295.879 4.855 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@@H](NCCC)CC(C)(C)C1(C)C 2335195416 WVYZVBROBURXJI-KKUMJFAQSA-N 283.525 4.877 30 10 CJEE Cc1ccc(C#N)c(OC(CC(C)C)CC(C)C)c1 2335356681 UBASBHRZFOCGNI-UHFFFAOYSA-N 259.393 4.706 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@H]21 2338739042 RRENOHIJOQYEHG-TVFCKZIOSA-N 261.453 4.559 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC[C@H]2CC[C@H]2C2CC2)C1 2342382750 PVGATCWZGZMHML-BGTYHANMSA-N 262.437 4.988 30 10 CJEE C=CC[C@H]1CCCCN(C[C@H]2CCC(C)=C(C)C2)C1 2343394908 DCJYDFJRCLPKSH-ROUUACIJSA-N 261.453 4.801 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1C[C@@H]2CC[C@@H]2C1)NCC 2344341287 ALEGZFXABUHFPK-SFFUCWETSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1ccc(C2CCCC2)cc1 2344348115 HTTZAUWNABZXFT-RDTXWAMCSA-N 257.421 4.817 30 10 CJEE C=CC12CC(CCN1CCCCCCCC1CC1)C2 2351689767 GRPYAOZLTKAQSX-UHFFFAOYSA-N 261.453 4.778 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)[C@@H]1CCC1(C)C 2351988085 AZDCABFXFTXJOL-CJNGLKHVSA-N 282.449 4.520 30 10 CJEE CC(C)C1CC(CN(C)C[C@](C)(CS)C(C)(C)C)C1 2352072795 PMOQFHIWWWXDGN-VMBOVVBDSA-N 285.541 4.583 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(C(C)C)ccn1 2352767297 FUUKAWIOIGTDOU-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CSc1cc(Nc2cccc(C)c2Cl)ccc1C#N 2353838641 XENWHMOWOBSXOS-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1C#N 21500677 YQLOBKMKDWYJEC-JLSDUUJJSA-N 271.404 4.536 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156546 CCKNHMQTCAOYJZ-JRPNMDOOSA-N 281.371 4.775 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 37393239 VRSYXTYBXNRMBS-SECBINFHSA-N 292.716 4.663 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)cc1C 37936169 NVISBUDWFUZPBX-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2cc3ccccc3s2)cc1 55333251 UBNQRAOJWHGEQQ-OAHLLOKOSA-N 291.375 4.700 30 10 CJEE Cc1cccc(C)c1OCCC[C@@H](C#N)c1ccccc1F 57686469 ZVQGSJIEOMYBJA-INIZCTEOSA-N 297.373 4.909 30 10 CJEE Cc1cc(C)c([C@H](C#N)CCc2ccccc2)c(C)c1 57695998 QXNHLXRXUQRPBM-SFHVURJKSA-N 263.384 4.852 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCc2ccccc21 59058414 ICPDMRKJDQHGAK-LJQANCHMSA-N 288.479 4.517 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(Br)cc1 59082364 BTWKXJRIUVNYGY-CQSZACIVSA-N 284.241 4.809 30 10 CJEE CSc1ccc(Nc2cc(C#N)c3ccccc3n2)cc1 68771904 VWKDFFZBMRJLIP-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2ccccc2n1 71277588 GOLPEOZTLDBOCY-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE Cc1ccc(F)c(-c2cc(CC#N)c(C(C)(C)C)o2)c1 77084981 QWVOXBWCLWAYJO-UHFFFAOYSA-N 271.335 4.758 30 10 CJEE C=CCCCC(C)(C)[C@H]1CC[C@H](C)C[C@@H]1NCC 85157175 ABJQNFUPGHQIMO-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(C(C)C)cc2)C1 91881600 PSIUWQMNEHAWGG-ZTFGCOKTSA-N 271.404 4.563 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1CCCc2ccccc21 97208787 WVWHJUMZCBCAIU-RBUKOAKNSA-N 271.448 4.831 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCCc2sccc21 97419717 VEFNSDZTCSJTFM-HIFRSBDPSA-N 263.450 4.502 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCCO1 103464672 MYBDZSZRWIAMKE-QGZVFWFLSA-N 269.473 4.676 30 10 CJEE CCCCCCCOc1ccc(C(=O)CC)cc1[N+](=O)[O-] 104312989 MELHEJKZNBPIFU-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE CSc1ccc(/C=C2/CC/C(=C/C(C)C)C2=O)cc1 104377330 JKYBLNBHSSPWMF-HYQBVQLESA-N 272.413 4.737 30 10 CJEE CCCCCCCCCCNC1CCN(C(C)C)CC1 105838681 VSMIEULRZCDITE-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCNC1CCN(CCC)CC1 105839455 OAQORYZISCTPQY-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCCNCc1ccc([C@H]2C[C@H]2C)o1 105942110 TZEDXRYQLWRTFH-ZBFHGGJFSA-N 263.425 4.853 30 10 CJEE CCCCCCCCNc1nc2c(s1)CCCC2 106351726 PCVWZDSOSRGBMP-UHFFFAOYSA-N 266.454 4.794 30 10 CJEE CCCCCCCCCCC(=O)Cc1ccccn1 107679596 BYUGMFSYSXVPRR-UHFFFAOYSA-N 261.409 4.724 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)COC 114872569 KRNMEFLSFVUXRI-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@](C)(CC)N(C)C 118153533 KUWWDRPFXIJFNX-MSOLQXFVSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCC[C@H](CCN(CC)CC)NC 118214269 PVDAUQVKJAZBEM-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccccc1CC 122430688 UEMYKXHTVGJGQP-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE C=CCC[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 124030982 WNKIKHJOZZJUSN-MFJUZZNBSA-N 262.437 4.700 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)cc(Br)c1 125648249 DXOVIVBOLUBKRF-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCC[C@@H](C)n1c(S)nc2c(C#N)cccc21 126020225 FBHYGHAIADAPKB-GFCCVEGCSA-N 287.432 4.728 30 10 CJEE CCCCCCCCCCC[C@H](Cc1ccccc1)NN 131242723 MFYJUWWGZVTYHA-LJQANCHMSA-N 290.495 4.982 30 10 CJEE CCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 131338055 GLOSXMFVCUDQIR-ZIAGYGMSSA-N 274.495 4.543 30 10 CJEE CCCCCCCCC[C@@H](N)CC[C@H]1CCCCO1 157878603 YAIHJONHMWQIGZ-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CCCCCCCCNc1nc2ccc(N)cc2s1 160768562 QQIPIQQHABUDKV-UHFFFAOYSA-N 277.437 4.651 30 10 CJEE CCCCCCC[C@@H](N)c1csc(Br)c1 161707609 YLDNSZMMHCYXSV-LLVKDONJSA-N 290.270 4.871 30 10 CJEE C=CC[C@@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 162965700 BUGUROZPOOJXRW-SSDOTTSWSA-N 287.215 4.769 30 10 CJEE Cc1ccc(SCc2cc(F)cc(C#N)c2)cc1C 163764149 BMRQDXYHPUYPSI-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE CCCCCCC[C@@H](NC)C(CC)(CC)OCC 164257980 AYZUUGAEYJFSTI-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE C=C(C)CC[C@H](NC)C(CC)(CC)c1ccccc1 164586244 WAEDDBQYTCHRJC-KRWDZBQOSA-N 259.437 4.689 30 10 CJEE C=C(C)CC[C@@H]1CC(C)(C)CC[C@H]1CNCCC 164949926 HMILGNXPDXFTLV-CVEARBPZSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[S@](=O)c1cc(N)ccc1C 165942208 QNOSLSJQAFVTCZ-HXUWFJFHSA-N 295.492 4.826 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)CCO[C@H]1C1CC1 166168805 RSIBKDAHRGDMMN-OALUTQOASA-N 295.511 4.922 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)C1CCCCCC1 167855901 GZFMMIOUXQMMDD-INIZCTEOSA-N 257.377 4.581 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1 185811676 HDWOGZATQFMHGG-LBPRGKRZSA-N 299.336 4.722 30 10 CJEE CCC[C@H]1CCCCN1[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 213506830 LUCMLFOMPJNRFX-ZJPYXAASSA-N 276.468 4.750 30 10 CJEE N#Cc1cc(F)cc(Sc2cccc(Cl)c2)c1 227638780 JGOIYGDNEJKLEX-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 228821651 IJVXWUHDCQCMJA-HUUCEWRRSA-N 257.421 4.571 30 10 CJEE CCCCCCCC[C@H](N)CCCC(F)(F)F 229035034 DMZCWTTWWTUORG-LBPRGKRZSA-N 253.352 4.797 30 10 CJEE CCCCCCCCCCNCCCSCC 229513364 QYOGHYZRWNGEPM-UHFFFAOYSA-N 259.503 4.860 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1Cc2ccccc21 233124551 VRAVESIIXYWZGR-OALUTQOASA-N 271.448 4.831 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc(Cl)sc1Cl 233153215 GAWSPFWRVVRZMZ-SNVBAGLBSA-N 264.221 4.672 30 10 CJEE CCN(CCCCC(C)(C)C#N)c1cccc(C)c1 233444272 AMCSEMMYAGDPDC-UHFFFAOYSA-N 258.409 4.541 30 10 CJEE CCOc1ccccc1C(=O)C1=CCCCCCC1 233796006 QRQZSUPTEKIVKH-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](S[C@H](C)C(C)C)C1 300437541 BFMCINBKJZEIEB-TUVASFSCSA-N 253.455 4.873 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1CCC(F)(F)C1 302455050 XUVKOFHFLVMLNC-UONOGXRCSA-N 261.400 4.890 30 10 CJEE N#Cc1ccc(N[C@H]2C=CCCCCC2)c(Cl)c1 310615247 FLHLRFIJOBUEQR-ZDUSSCGKSA-N 260.768 4.512 30 10 CJEE CC[C@H]1CCC[C@H](Oc2cc(C)c(C#N)c(C)c2C)C1 312246760 IEWGTOFZZUKEGN-HOTGVXAUSA-N 271.404 4.831 30 10 CJEE N#CC1(C[C@H]2CCOc3ccccc32)CCCCCC1 312554021 QMXUMTRWHZXXRU-OAHLLOKOSA-N 269.388 4.807 30 10 CJEE CCCCCCC[C@H](NN)c1cc(C)ccc1Cl 313426954 ZSAIQUZFNWXNRJ-HNNXBMFYSA-N 268.832 4.513 30 10 CJEE C=CCSc1ccccc1NC[C@H]1C[C@H]2CC[C@H]1C2 313466918 UBVVSKLACVBGIB-SOUVJXGZSA-N 273.445 4.813 30 10 CJEE CCCCCCCCC[C@]1(C(=O)O)CC=CCC1 314925135 LASREOFXDFSHTO-INIZCTEOSA-N 252.398 4.938 30 10 CJEE CCCC[C@H](CC)[C@@H](C#Cc1ccccc1)NCCC 315029966 YDJOXYRSBLGGJT-RBUKOAKNSA-N 271.448 4.623 30 10 CJEE CCCCCCCC[C@@]1(C=O)CCc2ccccc21 316680969 XBKFJSRJOQSCJV-SFHVURJKSA-N 258.405 4.820 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2ccc(Cl)cc2Cl)O1 384071634 ZYDPUHYZEUNPNJ-GWCFXTLKSA-N 270.159 4.517 30 10 CJEE CC(C)CN(CC1(CS)CCCC1)c1ccccc1 389150923 VTYIMTABDKSUIT-UHFFFAOYSA-N 277.477 4.639 30 10 CJEE CCC1(/N=C2/NC3(CCC(C)CC3)CS2)CCCCC1 389826275 VKBOZRDJVQBYSS-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)cc1F 394933773 AEYUMNXDUAXLJQ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE N#C[C@@H](CSc1ccccc1F)C1CCCCC1 397283056 FUEBUMBAIJCYHX-ZDUSSCGKSA-N 263.381 4.638 30 10 CJEE Cc1ccc(SC[C@@H](C#N)C2CCCC2)cc1C 397342263 MUKVLBMIKJPICD-OAHLLOKOSA-N 259.418 4.726 30 10 CJEE C=CCCC[C@@H](C)N[C@H]1CCCCc2ccccc21 398194750 SUMGOAWWGCZDHB-QAPCUYQASA-N 257.421 4.789 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](C#N)Nc1ccccc1Cl 401774285 YGTVQTWGYFQEST-IOASZLSFSA-N 276.811 4.860 30 10 CJEE C#CCCCCCSc1ccc2ccccc2n1 686684029 AGJVXXWVIYWKIR-UHFFFAOYSA-N 255.386 4.521 30 10 CJEE C#CCCCCCC(=O)c1ccc(F)c(C(F)(F)F)c1 686700181 ZRRBPYRUZQKXSP-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE CCCC(CCC)Nc1ccc(Br)c(C#N)c1 690181086 SZJSPUQHUTUWAD-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@H]2CC2(F)F)C1 691229978 FBHDHXHLNMMFEV-NSHDSACASA-N 255.352 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1C(C)C 692240731 DIVHCXSXGWTJQH-OLZOCXBDSA-N 293.842 4.800 30 10 CJEE CC(C)(CNc1ccc(Cl)cc1C#N)CC(F)(F)F 695767389 CVRSISUSNWMVMF-UHFFFAOYSA-N 290.716 4.602 30 10 CJEE N#Cc1ccc(NCC2CCC3(CC2)CC3)cc1Cl 695767604 UQTWWYMFRDVASO-UHFFFAOYSA-N 274.795 4.594 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)C[C@H](C)CC 698894556 ZDLMYFJLPIWGBZ-RHSMWYFYSA-N 294.439 4.518 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCCCN1C 700194084 RFDGYZYAUVAMAM-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(C(F)(F)F)c1 703955562 UQJHBDGPTWLRFP-UHFFFAOYSA-N 285.353 4.787 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(F)cc1C(F)(F)F 705548703 OTTLPCACGYLJGL-LLVKDONJSA-N 289.316 4.851 30 10 CJEE COC1(CC2(C#N)CCCCCCC2)CCCCC1 710296118 DVCDXRZHQXKPBF-UHFFFAOYSA-N 263.425 4.980 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 710555910 HZZDUDUTNXWIIW-LLVKDONJSA-N 292.637 4.657 30 10 CJEE CCCC(C#N)(CCC)N(C(=O)OC(C)(C)C)C1CCC1 712295783 SKPPPUPJKFYDOQ-UHFFFAOYSA-N 294.439 4.639 30 10 CJEE C=C(C)CC[C@H](NCC)c1cscc1C(F)(F)F 717211879 ZQUDEOWVDJTWOC-LBPRGKRZSA-N 277.355 4.774 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1c(F)cccc1Cl 718508598 AKZUZEYEYQCLCI-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC12CC2)NCC 723183158 QDKORVFYPMDQDU-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=C1CCC(CSc2ccc([C@H](C)NC)cc2)CC1 724559968 RETBUGMDNNJJJE-AWEZNQCLSA-N 275.461 4.806 30 10 CJEE C=C1CCC(CC(=O)c2ccc(Cl)cc2C)CC1 724584364 QIJBUNWVVCBKSX-UHFFFAOYSA-N 262.780 4.968 30 10 CJEE C=CCCC[C@H](c1ccccc1)c1nc([C@@H]2C[C@@H]2C)no1 904822340 OCUUGPGLJWXKTE-NUEKZKHPSA-N 282.387 4.681 30 10 CJEE C[C@@](CC(=NO)C1CC1)(SCc1ccccc1)C1CC1 1082485830 SJIWPIBCFBOLCV-KRWDZBQOSA-N 289.444 4.719 30 10 CJEE C=CCCCCCCNc1nc(C(C)(C)C)ccc1C#N 1163260858 UJVPXOIGQQCXOO-UHFFFAOYSA-N 285.435 4.799 30 10 CJEE CCCCCCCCN1CCCc2sccc2C1 1167350894 VSFPYNGVYQZQJT-UHFFFAOYSA-N 265.466 4.857 30 10 CJEE C=CCCCCSc1nc(CC)nc2ccccc12 1189616964 RFYGFJBOVZPSCT-UHFFFAOYSA-N 272.417 4.641 30 10 CJEE C=CC(C)(C)CNCc1cccc(C2CCCC2)c1 1202435970 OCXORRDPEQKJIM-UHFFFAOYSA-N 257.421 4.646 30 10 CJEE C=CCC[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 1258717850 WHKPINGSSWGXON-HUUCEWRRSA-N 253.389 4.845 30 10 CJEE C=CCC(C)(C)C(=O)N(C)C1CCC(C(C)(C)C)CC1 1264432954 MRAZTMYZQZYWMT-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1269349742 GRBRHQUMFSIAJH-HUUCEWRRSA-N 279.468 4.700 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C1CCC(C)(C)CC1 1271329878 GVHYAFTZQSAOBD-UHFFFAOYSA-N 299.458 4.808 30 10 CJEE C=CCCC[C@H](NC(=O)[C@@H](C)CC(C)C)c1ccccc1 1288364532 PDXGPDUWTODYCT-WMZOPIPTSA-N 287.447 4.882 30 10 CJEE C=C[C@H](C(=O)Nc1cc(C)c(Cl)c(C)c1)c1ccccc1 1296889677 CNUKYANVWBUNQU-INIZCTEOSA-N 299.801 4.865 30 10 CJEE C=CCCC1(CNC[C@H]2CCCC[C@H]2C)CCCC1 1308463969 PKOJRPYECVZEFV-IAGOWNOFSA-N 263.469 4.929 30 10 CJEE C=CCN(C(=O)[C@@H](CC)C1CCC(C)CC1)C(C)(C)C 1437775674 IJJBOMNHENVPGD-GPANFISMSA-N 279.468 4.652 30 10 CJEE C=CCCC[C@H](NCCCC1CC1)c1ccccc1 1460712030 SPNHEHVGLKOQQG-SFHVURJKSA-N 257.421 4.864 30 10 CJEE CCCOc1cc(C)ccc1NCc1ccc(C#N)c(C)c1 1461330063 BQXOWUONFZAMDG-UHFFFAOYSA-N 294.398 4.576 30 10 CJEE C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1C(F)F 1472870491 UGAPZZJEIOSPPJ-UHFFFAOYSA-N 298.333 4.937 30 10 CJEE C=C(CC)CSc1nnc(Nc2cccc(C)c2)s1 1472926330 XNBFIKZORCVPKN-UHFFFAOYSA-N 291.445 4.648 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H]1C(C)=CCC[C@@H]1C 1474623215 LDQGZTADYWJMSI-MHORFTMASA-N 261.453 4.703 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 1518344780 SINYGSVGKAVMPA-HUUCEWRRSA-N 299.414 4.945 30 10 CJEE C=CCC[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1 1526451724 HXCWLUNVLZKFGE-GOSISDBHSA-N 283.415 4.701 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1ccccc1 1526452436 LISSJHNRXCKJKD-KSZLIROESA-N 299.458 4.882 30 10 CJEE C=CC1(CC(=O)NC[C@H](CC)c2ccccc2)CCCCC1 1529094423 JSPCOJMZSPUWCV-KRWDZBQOSA-N 299.458 4.823 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2s1 1531923312 OZAXZMJQODOBSO-DZGCQCFKSA-N 299.439 4.766 30 10 CJEE C=CC[C@@H](C(=O)Nc1ccc(C(C)C)nc1)c1ccccc1 1535806413 PWKINURQXOHEKW-QGZVFWFLSA-N 294.398 4.503 30 10 CJEE C=C(CC)CN(C)c1ccc(OCc2ccccc2)cc1 1559757274 XMHINEVCDCDCJZ-UHFFFAOYSA-N 281.399 4.668 30 10 CJEE C=CCCCN1CC2(CCCC2)[C@H]1c1ccccc1 1559890392 LZHOZEJCKHMTHS-QGZVFWFLSA-N 255.405 4.570 30 10 CJEE C=CCC1(CNC/C=C\c2cccc(F)c2)CCCC1 1560471833 YIRRDNIKZIOHDZ-VURMDHGXSA-N 273.395 4.565 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC/C(C)=C/c1ccccc1 1560530925 QOTUEQOYXZIKPW-GTNXWODISA-N 269.432 4.814 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CC)CCC 1584864085 POKQRFQWJDLDNG-PKOBYXMFSA-N 287.447 4.506 30 10 CJEE C=C1CCC(CNC(=O)CCCCCCCCC)CC1 1597398630 ZNGJCIAHYUHYJJ-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C=CCCN1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1616426515 MEHNRSZULLXHOS-UWJYYQICSA-N 291.438 4.641 30 10 CJEE C=CC[C@@H](C)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 1616981377 LCQZENJWNIFQLQ-AEFFLSMTSA-N 271.448 4.639 30 10 CJEE C#CCN(Cc1ccc(OCCC)c(C)c1)C1CCCCC1 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CCCCCCCC[C@@H](C)NC[C@H](OCC)C(F)(F)F 2240667053 SEDWTJFNQRVCIF-KGLIPLIRSA-N 297.405 4.683 30 10 CJEE CC(C)(C)C#CC=CCc1c(F)cccc1Br 2248466410 AOEGLRNQAFWGAB-UHFFFAOYSA-N 295.195 4.736 30 10 CJEE C=CCC[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2250943351 FCGIQVXGNSODMX-CQSZACIVSA-N 296.252 4.713 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(OC)ccc1Cl 2256216873 IQGVOOBBLFURMO-CQSZACIVSA-N 288.218 4.532 30 10 CJEE CC(C)=CCC[C@H](C)CCOCC1(CS)CCC1 2257444935 OCENTABYIVGCRF-HNNXBMFYSA-N 270.482 4.876 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccsc1OC 2259193315 COBHBMXNPDPCEH-CQSZACIVSA-N 267.438 4.544 30 10 CJEE CN(CCCCCS)[C@H]1CC(C)(C)CCC1(C)C 2261425795 SBTFFWOWVRVBIY-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CC(F)(F)C23CCC3)C1 2266258682 BXBHZEMMCSEXBW-MGPQQGTHSA-N 267.363 4.922 30 10 CJEE CC(C)=CCC[C@H](C)CCOC1(C=O)CCCCC1 2269595659 MIXZZEIODMTWMD-INIZCTEOSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCCCC(=O)C[C@H](C)C(C)(C)N 2271240768 SVOJAKDFTVJVDI-HNNXBMFYSA-N 267.457 4.626 30 10 CJEE C=CCCCCCCCSc1cncc(F)c1C=O 2271498129 OIQYPDPDYBRXSN-UHFFFAOYSA-N 281.396 4.652 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCC1(C)C)OCCN 2276124765 MBCFSDDMMFAMMA-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE C=C(C)CC[C@H](CCCCCCCC)OCCCN 2276206364 ARPOOPCDMWIIAO-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](CC)OCCCN 2276813768 RSFAQJPLONTESM-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@H](OCCN)C1CCCCCC1 2277228528 NNJVAWFXNPZHSE-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE COc1cc(C)c(Cl)cc1CC=CC#CC(C)(C)C 2277890869 XLHHMCYLYCMFMW-UHFFFAOYSA-N 276.807 4.805 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@](C)(CN)CCC 2278169519 QVIVMBMYDFDWLT-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](CC)C(C)(C)O 2278239228 VENCXSJVDYOQME-CVEARBPZSA-N 271.489 4.655 30 10 CJEE C=CCCCC[C@H](NCC)c1nc(C(F)(F)F)cs1 2278708165 XNFOZLRFNQURQX-JTQLQIEISA-N 292.370 4.559 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)C1 2279665654 ALWQYJVBAXTKES-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CO[C@@H]1CCC[C@@](C#N)(CC[C@@H]2CCCCC23CC3)C1 2279736397 KKMPSTJTHFGBAW-GVDBMIGSSA-N 275.436 4.836 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C[C@@H]1CCCC12CC2 2281329252 ZZOSMDGKENPOBG-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCC)c1sccc1CC 2282917585 UDCPIYIDPGOZFC-HZPDHXFCSA-N 297.508 4.683 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)[C@H]1CC2CCC1CC2 2284115571 LCLBSFWSEWAEMX-BXNZUYAZSA-N 273.464 4.526 30 10 CJEE C[C@@H]1CC[C@](C)([C@@H](O)CC=CC#CC(C)(C)C)C1(C)C 2284129332 MQNLISAVHSTKAQ-JTDSTZFVSA-N 276.464 4.806 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cccc2c1CCC2 2287373057 ROPRFCIUYBMSAN-IBGZPJMESA-N 271.448 4.962 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H](O)c1cc(C)c(C)s1 2287390865 USNLPVZUUNAHNN-WBVHZDCISA-N 295.492 4.513 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cc(F)c(F)c(F)c1F 2287409608 WZVRWMYGJUGEED-GFCCVEGCSA-N 289.316 4.640 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)C[C@H](OC)C1(C)C 2287468384 UGFPELRKGFGHAT-FUHWJXTLSA-N 281.484 4.554 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)C[C@@H]2CCCC[C@@H]21 2288414015 SRGGVTBZYNAHKJ-BQFCYCMXSA-N 279.468 4.604 30 10 CJEE CCCCCCCCCC(=O)[C@]1(N)C[C@@H]2CCCC[C@H]21 2288414017 SRGGVTBZYNAHKJ-JZXOWHBKSA-N 279.468 4.604 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@@]12CCCC[C@H]1CC2 2288982988 ZXHWSHYSJCIPRN-YQVWRLOYSA-N 275.480 4.765 30 10 CJEE CC1(C)CC([C@H](N)C#CC2CCCCC2)CC(C)(C)C1 2289716773 XUTIHGLKLYNDHC-QGZVFWFLSA-N 275.480 4.750 30 10 CJEE CCCCCCCCC[C@](C)(OCC(=O)O)C1CCC1 2290571289 PSJKIFNBNSONKY-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)c1cc(C)cs1 2290879669 YRYJURPLXHPICN-CQSZACIVSA-N 298.448 4.949 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)C1(CC)CCC1 2292434723 XRBINBLJRMKGLS-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@](C)(OCCC(=O)O)C(C)C 2292579046 KGBLLRKUIMAGMV-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC12CCC2)OCCN 2292769942 JRWUZXWXLLXXQC-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@H](OCCN)c1csc(C2CC2)c1 2292882212 MDHAQZVWWSJWAE-INIZCTEOSA-N 293.476 4.778 30 10 CJEE C=CCC[C@H](C)[C@](C)(OCCCN)[C@@H]1CCC[C@H](C)C1 2293111412 LXHFVIQKYMRBKU-FJIDUMEYSA-N 281.484 4.539 30 10 CJEE C=CCC[C@H](C)[C@](CC)(OCCCN)C1CCCCC1 2293132576 JVRUQLNDZXPUSX-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCCC1(F)F 2293466769 ONWFANSFRGOBMA-OAHLLOKOSA-N 291.426 4.660 30 10 CJEE CCCCCCCCCC[C@@]1(OCCN)CCC=C1C 2293503920 GFURXAZWHAMTAN-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCCC2(CC2)C1 2294009777 TVWBUFHUMNYGCL-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)OCCN 2294113516 IVCAIXUJBIBZME-KSZLIROESA-N 281.484 4.517 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccccc2C)c(C)c1 2294299982 HQJHXKWPFITNJY-UHFFFAOYSA-N 250.341 4.508 30 10 CJEE Cc1c(C)c(C)c(CC2(C=O)CCCCC2)c(C)c1C 2294722783 HSBKSBZIZOKNCK-UHFFFAOYSA-N 272.432 4.921 30 10 CJEE Cc1c(C)c(C)c(CC2=CC(=O)C[C@@H](C)C2)c(C)c1C 2294725191 OMLQKUQWOQIYEI-NSHDSACASA-N 270.416 4.697 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccc2ccc(Cl)cc2n1 2294981160 IMSMNKNQWIHWDX-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE CC1(C[C@@]2(C#N)CCc3ccccc3C2)CC(F)(F)C1 2295606369 BMVCHYLOIQEWKX-MRXNPFEDSA-N 275.342 4.511 30 10 CJEE CCCCCCCCC[C@H](C)NCCN1CCCCC1 2295679023 LURROSGPYVHTOU-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCC[C@H](CC)C[S@@](=O)[C@@H](CC#N)c1ccccc1 2295711584 PMNMMQVKUYPTIK-RIFZZMRRSA-N 291.460 4.606 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)sc1CNC 2298942554 MDVCHHYQNVBOQA-UHFFFAOYSA-N 287.881 4.734 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1cc(Cl)c(Cl)s1 2300182065 BDSDVIBDEBFUAB-BXKDBHETSA-N 290.259 4.889 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)cc1C 2304052395 NRUPFWRJNTTWJQ-HNNXBMFYSA-N 295.220 4.933 30 10 CJEE CC[C@H](CS)COCc1cc(F)c(Cl)cc1Cl 2306233116 BYFVYQRECFZFHS-QMMMGPOBSA-N 297.222 4.605 30 10 CJEE C=C(CC)C[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2307637901 BMSOGTZFOUSCMM-AWEZNQCLSA-N 272.219 4.832 30 10 CJEE C=CCC(CC=C)NCCc1cc(Cl)cc(Cl)c1 2313536312 MASFTQQEOZEPNK-UHFFFAOYSA-N 284.230 4.646 30 10 CJEE CCCCCCCCC[C@@]1(F)CCN[C@]1(C)CC 2315165689 FZJHTTVETYKNOZ-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE C=CCCCCCCCC1(O)C[C@H](C)S[C@@H](C)C1 2317684865 VIVAGUDCKXZPTJ-GJZGRUSLSA-N 270.482 4.938 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1CCC[C@H](C)C1 2321112188 CYICGYKXDCAMFC-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2321132760 AUPDLLKLYDYZQG-HMDCTGQHSA-N 251.458 4.639 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(CC)CCC1)NCC 2321143441 ATZKBMFAZIZWFI-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE O=C(C=Cc1cccc(O)c1)c1ccc(Cl)cc1Cl 2325787869 KHSANSLLTQYYQT-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE C=C1CC(CN)([C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2327985106 SNNAUFLJJFAZNN-NSHDSACASA-N 284.230 4.700 30 10 CJEE CSc1cc(S[C@@H]2CCC[C@H](C)C2)ccc1C#N 2328527935 BDNXCZKVAMTUFX-WCQYABFASA-N 277.458 4.951 30 10 CJEE CCCCCCCC[C@H](N)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2330168191 BSWOBOYGIYQZGG-XQLPTFJDSA-N 273.411 4.746 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@H]21 2330348314 CTXYYBSPADHBTM-FLXSYLCISA-N 263.469 4.761 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C(F)(F)F)CCCCC12CCC2 2331594732 ZJOIVOYGMGWZHM-SCRDCRAPSA-N 271.326 4.829 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]1C(F)(F)F 2333365058 BEQIHRSKZDDKMW-HZSPNIEDSA-N 277.374 4.819 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H](C)CC1CCC1 2335201223 SBVGUCDWRRZJSH-WBVHZDCISA-N 269.473 4.517 30 10 CJEE C=CCC(CC=C)Sc1nc(CN[C@@H](C)CC)cs1 2335243671 ZXPASGVQAYGRRZ-LBPRGKRZSA-N 296.505 4.644 30 10 CJEE C[C@H]1CC[C@H](CSCc2ccc(C#N)c(F)c2)CC1 2335354815 ZUSSMRNFMHZEOW-JOCQHMNTSA-N 277.408 4.757 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2337096335 DEYRKFHEFXAYQU-YGRLFVJLSA-N 278.758 4.507 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc2cscc2s1 2337434226 IDIVAFSVRNDVBO-CQSZACIVSA-N 289.469 4.807 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@@H]1C1CCC1 2338733756 VMNOZZKZQZBUCY-SQNIBIBYSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCSC1(C)C 2338747628 RVDMVWCKGMJYNE-CVEARBPZSA-N 281.509 4.655 30 10 CJEE C=CCCCCC[C@]1(C(=O)O)C[C@H]2C=C[C@H]1CCC2 2338770013 HROBBNLCFXMLBF-INMHGKMJSA-N 262.393 4.570 30 10 CJEE N#CC1(CC2CCCCCC2)Cc2ccccc2C1 2338930733 VLMIAMRVKXNIIH-UHFFFAOYSA-N 253.389 4.656 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@]2(C)CC=CCO2)CC1 2339859180 VOVSCFJPXLTVDX-IRXDYDNUSA-N 261.409 4.612 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)N)c(C)c1C 2341061065 CCGACZHSMNSUBO-CQSZACIVSA-N 275.461 4.936 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C[C@@]1(C=O)CCCC(F)(F)C1 2343365665 FKAYICYLUFMPCR-NFAWXSAZSA-N 272.379 4.843 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2343375855 CXKOCOPLBBCVEI-HWMZRRJGSA-N 263.425 4.548 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)c(C)cc1OC 2344343952 QNBGGKZNUPFGEZ-JKSUJKDBSA-N 281.827 4.649 30 10 CJEE C=CCC(C)(C)[C@H](CCC=Cc1ccccc1)NC 2344349538 UFWZCQRHBICDMV-KRWDZBQOSA-N 257.421 4.670 30 10 CJEE Cc1cc(N[C@H]2C[C@@H]3CCCC[C@]3(C)C2)ccc1C#N 2354139601 ITSSPEOHNYNPKA-RYQLBKOJSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1C[C@@H]2CC[C@H]1C2 2359328014 OPDGGFYMOSIUSQ-OWSLCNJRSA-N 280.500 4.785 30 10 CJEE CCCCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1C)OCCN 2360180181 UBWNSHJIPHPHQU-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)SCCC[C@H](NC)c1ccccc1 2360200115 FOMHORWCSFCZBJ-SFHVURJKSA-N 289.488 4.981 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@@H](N)CC)cc1F 2360332088 ZFETWIWOWKGXKU-AWEZNQCLSA-N 293.451 4.718 30 10 CJEE C/C(=C/c1ccccc1)C(=O)/C(C)=C/c1ccccc1 3106122 QEJFSWMOGORAHD-VCFJNTAESA-N 262.352 4.763 30 10 CJEE CC(C)c1ccccc1N[C@@H](C)c1ccc(C#N)cc1 19907222 ILWRWXRLGORWPQ-AWEZNQCLSA-N 264.372 4.855 30 10 CJEE CCOc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 33411008 PCXPCBWQOBOEAG-WDZFZDKYSA-N 286.758 4.635 30 10 CJEE O=C(/C=C\C=C(Cl)Cl)c1cccc2ccccc12 33417004 NMEFWPJYFOZTKY-WTKPLQERSA-N 277.150 4.898 30 10 CJEE CC(C)[C@@H](Nc1cccc(F)c1C#N)c1cccs1 35014084 ZBDWDCHPKAZNKU-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE Cc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1C 36805614 XUADPRWCMPCALH-UHFFFAOYSA-N 291.272 4.986 30 10 CJEE CCc1ccc([C@@H](CC)Nc2ccc(CC#N)cc2)cc1 37071224 XWZZYKOTUMEEOZ-LJQANCHMSA-N 278.399 4.878 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1cc(C#N)cc(F)c1C 37089256 IWJCPBYYJGXYOR-SMDDNHRTSA-N 262.372 4.633 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Sc1ccccc1Br 37156588 OGSPCXRMNBZJDR-JQWIXIFHSA-N 296.233 4.624 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccccc2C(F)(F)F)cc1 37935610 DOVIVENFUNGWCH-OAHLLOKOSA-N 290.288 4.691 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2ncc3ccccc32)C1 50525846 XCCIFTRDVSBGMO-YSVLISHTSA-N 281.403 4.563 30 10 CJEE C[C@@H](N[C@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)s1 54826506 NAIMXVHZAVCWOQ-UTUOFQBUSA-N 282.840 4.525 30 10 CJEE CCCCCCCCNc1cc(NC(C)=O)ccc1C 59471704 ZZDSVPIZTVTMEG-UHFFFAOYSA-N 276.424 4.726 30 10 CJEE C=CCCC[C@H](NCCC)c1ccccc1Cl 71277015 QZLRVVSRVCTUDR-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE COc1ccc(N[C@]2(C#N)CCC[C@H](C(C)C)CC2)cc1 86949152 GGAGUKVSCORGPA-MAUKXSAKSA-N 286.419 4.606 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1c(Cl)cccc1Cl 88171060 OJRZEKQUIMYVQC-GXFFZTMASA-N 283.202 4.878 30 10 CJEE Cc1cc([C@H](O)C2(C#N)CCC(C(C)C)CC2)c(C)s1 91884156 UYLGZUIWQSPLDQ-WIHSUSGWSA-N 291.460 4.755 30 10 CJEE CCC(CC)(CS)CN(C)C1CCC(C)(C)CC1 94862535 JGGBLBUMLOIYRP-UHFFFAOYSA-N 271.514 4.623 30 10 CJEE CCCOc1c(C)cc(Cl)c(C)c1CCCS 107651095 DPKIPUJSZUYOBK-UHFFFAOYSA-N 272.841 4.608 30 10 CJEE CCCCCCC[C@](C)(NC)c1nc2c(s1)CCCC2 109689541 OMVPXPLCFBXHLG-KRWDZBQOSA-N 294.508 4.817 30 10 CJEE CCCCCCCOC[C@H](O)c1ccc(CC(C)C)cc1 110022332 JDXASMHKLFLLGF-IBGZPJMESA-N 292.463 4.906 30 10 CJEE CN(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 110254840 BJOQQECFGXQNHV-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)cc1 110310529 NVNOMLXBKDBZKP-UHFFFAOYSA-N 290.391 4.911 30 10 CJEE CCCCCCCSc1cccc(C(C)=O)c1 113494824 DFUNQTOYZYCMOU-UHFFFAOYSA-N 250.407 4.952 30 10 CJEE CCCCCCC[C@]1(N)CCCc2ccc(OC)cc21 118568353 VYWPNZRDBAXCNZ-SFHVURJKSA-N 275.436 4.546 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(CC)cc1 125458282 DGVVEMVWFVHXGO-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)OC 129142971 PIIRQAIFMQIVKU-HNNXBMFYSA-N 256.430 4.901 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1c(Cl)ccc(F)c1Cl 129735538 OLKCVITYOAIABZ-NXEZZACHSA-N 288.193 4.585 30 10 CJEE CC1(C)CC(N[C@@H]2CCCCC[C@H]2C#N)CC(C)(C)C1 130885307 RCTNQTDBCDJLDN-GOEBONIOSA-N 276.468 4.653 30 10 CJEE C=C(CNCCC1CCC(C)CC1)c1ccccc1 134366054 NJNCMEIHCRDSJA-UHFFFAOYSA-N 257.421 4.506 30 10 CJEE CSc1cccc(Nc2cc(C)ccc2C)c1C#N 136610708 IZHLCAXJAKYRGS-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CSc1cccc(SCc2ccccc2)c1C#N 136988264 RJBFITKLWFNCBV-UHFFFAOYSA-N 271.410 4.572 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1cnsn1 139481481 QKROVEPGORMNEX-AWEZNQCLSA-N 283.485 4.720 30 10 CJEE CCCCCCCC[C@@H](NC)c1cccc(N(C)C)c1 140334961 PATPCTQHFGXEBL-GOSISDBHSA-N 276.468 4.764 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](OCC)C(C)C 158226335 RKOZCMVBTMREEU-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCCCCN1CCC[C@](C)(O)C1 163600522 BVKHLRPBHQXMHW-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCC[C@H]1CCC[C@H]1CNC1CC1 166853228 OQFOJPAUUAMDFB-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 167725767 VIZDRJFYMMFGPM-FGTMMUONSA-N 257.421 4.515 30 10 CJEE CC(C)COc1ccc([C@H](C#N)C2CCCCC2)cc1 167859995 JBPMUUHUHJCSPY-GOSISDBHSA-N 271.404 4.909 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCCc2cccnc21 168018706 BHPVHTWVWVWATD-INIZCTEOSA-N 273.420 4.821 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1cc(C)ccc1C 185863524 GZNGWTXPIIEGEZ-AEFFLSMTSA-N 285.431 4.569 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](C)[C@@H]2C)C1 217944510 USXFILWMLZHTLL-RSJGLCBASA-N 290.495 4.851 30 10 CJEE Cc1cc(Cl)c(Nc2cccc(C#N)c2)cc1Cl 227628921 INOZSZXXXBBWBI-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1sc2ccccc2c1C 229921226 QGEFADKFECYNOA-ZIAGYGMSSA-N 271.429 4.662 30 10 CJEE N#Cc1ccc(OCCCCCCCCCS)c(F)c1 232360901 DVIDROHFALXJKA-UHFFFAOYSA-N 295.423 4.737 30 10 CJEE CC(C)CCN(CCC(C)C)CC[C@H](C)CCS 232549216 KJIRDKNUWPLHSM-INIZCTEOSA-N 273.530 4.727 30 10 CJEE CCCCCCC[C@H](NCC)c1sc(C)nc1C 232932433 OJXAEXZVMUEVPH-AWEZNQCLSA-N 268.470 4.771 30 10 CJEE CC1(CNc2ccc(Cl)cc2C#N)CCCCC1 233053066 QZBOJYNHZLGQSG-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE 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CCCCCCC[C@H](NC)c1ccc2cnccc2c1 393262915 DSAQFNOYOYFTDM-SFHVURJKSA-N 270.420 4.856 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(OCCC(C)C)cc1 393801604 SSZLVRLAIGIGKV-QGZVFWFLSA-N 275.436 4.556 30 10 CJEE CCCCCCCOCCC(C)(C)CNC(C)(C)C 396055391 ZMAAJTFNWNFMCE-UHFFFAOYSA-N 271.489 4.778 30 10 CJEE C=CCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1 398132720 LKKAIGBNXXYAPU-NSHDSACASA-N 257.299 4.862 30 10 CJEE CCCCCCCC[C@H](CCCSC)NCC 401484253 BUGUPAOEPQTDKD-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCC(=O)c1cccc2cnsc12 402903902 IXNRWMCQEKTWEJ-UHFFFAOYSA-N 261.390 4.840 30 10 CJEE C[C@@H](c1cc(Cl)ccc1Cl)N1CCC(C)(C#N)CC1 506047059 GRJLEXONMZQRHL-NSHDSACASA-N 297.229 4.680 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccccc2)c(Cl)c1 642882732 CMLWWCBBCDYTRK-NTMALXAHSA-N 256.732 4.545 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1ccc(C)s1 686700516 ASLHGJAQOJEHDN-OAHLLOKOSA-N 263.450 4.681 30 10 CJEE Cc1ncccc1CC1(C#N)CC(C)(C)CC(C)(C)C1 688316220 PZMVHRGJVJAHGJ-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1 691051587 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C=CCCC1(CNc2nc3cccc(F)c3o2)CCCC1 1163715752 OWFULQBCUKVGST-UHFFFAOYSA-N 288.366 4.905 30 10 CJEE C=CC[C@@H](C)N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C 1170582203 NFNOOFJBEZSADM-PBHICJAKSA-N 279.855 4.851 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCO[C@@H](CC(C)C)C1 1180327416 XVDBZAMFZCYYTL-BZSNNMDCSA-N 281.484 4.695 30 10 CJEE C=C(C)CCOc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] 1188880429 VXDYSXRQTZGTNB-UHFFFAOYSA-N 297.354 4.531 30 10 CJEE C=C(CC)CN(Cc1ccccc1)Cc1ccc(OC)cc1 1191646434 MSDLYLVTTPZFBW-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE C=C(CC)CN[C@H](c1cccs1)C(CC)CC 1192681729 PQZDBTUJNARFIC-HNNXBMFYSA-N 251.439 4.781 30 10 CJEE C=CCCCCCN(C)C(=O)C[C@@H](C)CC(C)(C)C 1265357531 FYWRWMMNXYYUTP-OAHLLOKOSA-N 267.457 4.654 30 10 CJEE C=CCC1(NC[C@H]2C[C@H]2c2ccccc2)CCCCC1 1308766791 VTWYPYKUJNWLFF-MSOLQXFVSA-N 269.432 4.659 30 10 CJEE C=CCCCC[C@H](C)NC[C@H]1CCCC[C@H]1CC 1308792238 OOTUXALWFFFPQI-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCNC[C@H]1CCc2ccccc2C1 1308806413 VOXSURVCUKLOJA-SFHVURJKSA-N 285.475 4.908 30 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C=CCCCCCCC[C@H](N)[C@H](OCC)C(C)(C)C 2227272764 ONXHKWPUHOJUTI-HOTGVXAUSA-N 269.473 4.682 30 10 CJEE C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1cc(Cl)cc(Cl)c1 2229695734 RYEDUEKLDBFLMZ-RWSFTLGLSA-N 297.229 4.726 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ncccc1C(C)C 2230945427 GVHLFHIXVVEPRQ-KRWDZBQOSA-N 261.409 4.533 30 10 CJEE CCCCCCCCCCOCc1csc(CO)c1 2231033899 QUACBBJDUAAWFY-UHFFFAOYSA-N 284.465 4.898 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC1(C)CCC1 2231926067 QQLHSJKGHYVGRW-KRWDZBQOSA-N 268.441 4.637 30 10 CJEE CCCCCCCC[C@@H](C)NCc1cccc(O)c1 2231942611 XIXYWQFPORBYLP-OAHLLOKOSA-N 263.425 4.621 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)CCCCCO 2231946987 UUWFRXOWTNCLIT-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1ccc(C(C)(C)C)cc1 2233790997 OAZDFPZZWYMCEV-KRWDZBQOSA-N 271.448 4.684 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc2c(c1)CCO2 2235521841 NJYNXPKSCJZXKT-QGZVFWFLSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCC[C@@H](NN)[C@H]1CCCCC1(C)C 2235525947 GDXNTUSJJLZUGE-IAGOWNOFSA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CCOC(C)(C)C1 2235526984 QNAXXLMRNTWWDW-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@H](C[C@H](CC)COC)NCC 2235527729 YFWRLCWNDPCVBE-ZWKOTPCHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cccc(OC)c1C 2235542932 XQRUKGJMTWLETJ-QGZVFWFLSA-N 275.436 4.920 30 10 CJEE CCCCCCCN(C)[C@@H](CN[C@H](C)CC)C(C)(C)C 2238958675 YNUOWGYEJFESDU-SJORKVTESA-N 284.532 4.691 30 10 CJEE C=C[C@@H](CCCCC)OCCC(C)(C)CNC(C)(C)C 2239500600 JUURAXGGBXANLU-INIZCTEOSA-N 283.500 4.942 30 10 CJEE CCCCCCCCCO[C@H]1CCCCC(F)(F)[C@H]1O 2239543798 KWWYDJFDFTVINK-GJZGRUSLSA-N 292.410 4.692 30 10 CJEE CCCCCC[C@@](C)(N)C#Cc1ccc(CCC)cc1 2239647651 UEWFHFGIEVKALX-LJQANCHMSA-N 271.448 4.678 30 10 CJEE CCc1cc(Cl)ccc1N[C@H](C)c1ccc(C#N)cc1 2240484105 HXHBCXFHHVRJTD-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CCCCCCC[C@@H](N)C1(C)CC(C(F)(F)F)C1 2253541299 OSETZJPAOJCVNJ-OTTFEQOBSA-N 265.363 4.653 30 10 CJEE CCCCCCCCN(C)[C@@H](C)[C@H]1CC12CCC2 2256418583 AASBKYIQISCGKN-JKSUJKDBSA-N 251.458 4.857 30 10 CJEE CCSc1cccc(SCCC2CCC2)c1C#N 2257905512 QZEHRLGHQHDBBQ-UHFFFAOYSA-N 277.458 4.953 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)CC#CC(C)(C)C 2258575202 YOBYKULZOGPJJP-UHFFFAOYSA-N 283.198 4.924 30 10 CJEE C=CCCSc1ccc(Cl)cc1CNC1CCC1 2258992300 NKNYNRZWXHTMCN-UHFFFAOYSA-N 281.852 4.650 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](C)[C@@H](N)C1 2259073329 YMWNLSHOSBWSBN-XHSDSOJGSA-N 269.498 4.762 30 10 CJEE CC1(C)C[C@]1(C#N)CCC12CC3CC(CC(C3)C1)C2 2265149204 HKJGASWNZSTFOP-AXBMVZGFSA-N 257.421 4.923 30 10 CJEE O=C[C@@]1(CC2CC3(CCCC3)C2)CCCCC12CC2 2265199859 PKIQUBNZMXXMBT-SFHVURJKSA-N 260.421 4.886 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(CN)CCCCC1(C)C 2268739884 WDBWPHVNQZMQGY-GOSISDBHSA-N 261.453 4.528 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CC(C)(C)C(F)(F)F 2268761626 NFCGSOZQJWHWDT-UHFFFAOYSA-N 274.326 4.530 30 10 CJEE C=CCCCCCCCC[C@](C)(N)c1cnc(C)s1 2269650051 WGZOUZOKVWRAMO-INIZCTEOSA-N 280.481 4.932 30 10 CJEE C=CCCCCCCC[S@](=O)CCCC(C)(C)C#N 2271520091 RPJZMBQNCCIDLC-IBGZPJMESA-N 283.481 4.592 30 10 CJEE C=CCCCSc1c(F)cccc1CN[C@@H](C)CC 2271590775 MZWMHAKDDSFFLU-ZDUSSCGKSA-N 281.440 4.772 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H](CC(C)(C)C)OC)C1 2271600408 AUNPCXKDTRXAKK-VYDXJSESSA-N 268.441 4.613 30 10 CJEE CCCCCCCCCCOCC1(C)CC(NC)C1 2273906824 FLQGGRCJGZGIDT-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1scc(C)c1C 2273967934 UILMDVMDTQTNPX-MRXNPFEDSA-N 275.461 4.599 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@H](C)CC 2274754717 QDNGDSYKQJEESU-CABCVRRESA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@H](CC1(CCC)CC1)OCCN 2276201142 GHVQPOWWDRIDMT-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCC1(OCCN)C[C@H](C)C[C@@H](C)C1 2276760860 FOGZQWWIWHNUJZ-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(F)nc1 2278174673 XXVUORXXPDPFHF-INIZCTEOSA-N 267.388 4.569 30 10 CJEE CC=C[C@](C)(CCCCCCCCC)OCC(=O)O 2278238523 SOAISTFCYQUXSL-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCCCCCC[C@@H](N)CC[C@H]1CCO1 2278533428 OVWUIPPLPNAVDU-SJORKVTESA-N 269.473 4.804 30 10 CJEE C=CCCCCCCCN1CC(C)(C)OC2(CCC2)C1 2280921087 HQDCGPREYMMLJE-UHFFFAOYSA-N 279.468 4.547 30 10 CJEE CC(C)(C)C(Nc1c(F)cc(C#N)cc1F)C(C)(C)C 2281567675 NTOHSAVOJFQKGS-UHFFFAOYSA-N 280.362 4.709 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1ccccc1OC(F)F 2282925536 CZFCABWACZZYRK-MLGOLLRUSA-N 279.330 4.551 30 10 CJEE C=C([C@@H](NCCC)c1cccc(OC)c1Cl)C(C)(C)C 2283312199 OADJNHZSBOTKQA-MRXNPFEDSA-N 295.854 4.992 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C[C@@H]1CCCCC12CC2 2284171296 UITJGKYIPLIBFB-DLBZAZTESA-N 273.464 4.670 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cnc(OC)c(Cl)c1 2287248996 SOESGLNIJISBNJ-OAHLLOKOSA-N 296.842 4.531 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCCCC12CCCC2 2287378990 MPCPHNFXGCCDPM-SFHVURJKSA-N 278.436 4.558 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@](O)(CCC)C(C)(C)C 2287389018 YZXFDMCYELVAHS-FUHWJXTLSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCCOc1ccc(C[C@@H](N)CC)cc1Cl 2287408048 DJBBKHPDKYFDRA-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CC[C@@H](COC)C1 2287408466 IZAAXZVTQMGGAK-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(OC)CCC(C)(C)CC1 2287466341 GWQNUQVXHUXXSA-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CCCN[C@H](C#CC1CCCC1)C[C@@H]1CCCC12CC2 2289683307 CSPCJPLBZKSNSQ-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1CCC(C)(C)CC1 2289698152 PBJHDACMCFCVDI-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C[C@@H](C)C(F)(F)F 2289789687 HBSQVGHNCDKAKS-HIFRSBDPSA-N 289.385 4.527 30 10 CJEE CCN[C@H](CC#CC1CCCC1)C1(C)CC2(CCC2)C1 2289862917 BDBOFVXNZGHGSK-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1cccc(C(C)(C)C)c1)NC 2290290061 AVAKBACBNUETGK-CRAIPNDOSA-N 273.464 4.717 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@@H]1C)OCC(=O)O 2290762887 ZFGRJOHPCJQVMX-ARFHVFGLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC[C@@H]1C(C)C 2291791283 OPUZFNPWWDBNBV-NVXWUHKLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(OCCCN)c1ccsc1C 2293240357 LHDVSHNNEMAYKH-KRWDZBQOSA-N 297.508 4.998 30 10 CJEE C=CC[C@H](C)[C@H](OCCCN)c1ccc(C(C)(C)C)s1 2293751766 UDBCCULYCDGSMA-BBRMVZONSA-N 295.492 4.664 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C=CCCC1)OCCCN 2294127899 IRHDMEYSLWDVBM-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2ccc3cccc(Cl)c3n2)C1 2294976723 METUJOUJSHPGHD-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE C=CCCCCCNCCCN(CCCC)CCCC 2295720228 QOIOPRVQHKVCRL-UHFFFAOYSA-N 282.516 4.615 30 10 CJEE O=C(C=CNc1ccc(Cl)c(Cl)c1)c1cccs1 2297368837 QIFUHKUXDPQLTF-UHFFFAOYSA-N 298.194 4.863 30 10 CJEE O=C(C=Cc1cccc2cnccc12)c1coc2ccccc12 2308249561 DWYZCYIRNGGSEH-UHFFFAOYSA-N 299.329 4.877 30 10 CJEE CCC[C@@H](CS)CO[C@H](CCC)c1ccccc1 2318158034 XBFQHNUPEARSNS-GDBMZVCRSA-N 266.450 4.891 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc2ccsc2c1 2321138250 QDAPXQHHPYOZCW-LRDDRELGSA-N 259.418 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc2sccc2c1 2321222034 FWVFVMQRWJQGHY-HZPDHXFCSA-N 260.402 4.927 30 10 CJEE C=CCOc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1 2323968901 GDYMFVGRGVLGQY-UHFFFAOYSA-N 296.341 4.595 30 10 CJEE Fc1cc(CC[C@@H]2CCC[C@H]3O[C@H]23)c(Cl)cc1Cl 2325258133 HIPUDMJRLIRBPK-MCCGJVOXSA-N 289.177 4.633 30 10 CJEE CCC(CC)CN(CC)C[C@](C)(CS)C(C)(C)C 2327290143 IFBUKVDXQLHYEB-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(F)c(Cl)c1 2337093617 HBTXYZRSHRVVJX-XHBSWPGZSA-N 281.802 4.875 30 10 CJEE C=CCCCCCCCSCCC[C@H]1C[C@H]1C(=O)O 2337460915 LRXFAOLDWHONAM-LSDHHAIUSA-N 284.465 4.747 30 10 CJEE CC(C)(C#N)CCCCOCCCCCC(F)(F)F 2337529833 MJDSJMNABLAHFD-UHFFFAOYSA-N 279.346 4.846 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@H]1C(C)(C)C 2338738568 NMPQJFKMZRPWDZ-BBWFWOEESA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(SC)cc1 2338742522 WOWWDJURINBVEN-QGZVFWFLSA-N 275.461 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CCC[C@@H]2C[C@H]12 2338743977 KOHAPPFWTJNLFA-OWSLCNJRSA-N 261.453 4.559 30 10 CJEE C=CCC[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2339080632 SUAIWGAINQHPCT-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@H]1CC[C@H](CCC)CC1)NCCC 2341882325 CPJPJLQZBSCGCY-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1CC[C@@H]1C(C)(C)C 2343071696 AAUWCJLHPFZNRY-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CC[C@@H]1C(C)(C)C 2343073194 QPRDWDHEKQNFIZ-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1[C@H]2CCCC[C@H]21)NCCC 2344349003 PKBSPCLOIWXMRU-HZMVEIRTSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H](CC)CC(F)(F)F)NC 2344354536 ADALANFHRLUBCJ-MCIONIFRSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H]1CC(F)(F)C12CCC2 2344381536 NHFFTLRPMMCHML-MCIONIFRSA-N 271.395 4.522 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cccc(Cl)c1C)NCCC 2344382288 PBYRUKOXRFCCAK-SUMWQHHRSA-N 279.855 4.771 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCC[C@@H]1CC2)NCC 2344386348 VWVMIYGNVIRYRO-VSZNYVQBSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(NCC[C@H]1CCC(C)(C)C1)C(F)(F)F 2344777379 LROAPGFFYHECAE-TZMCWYRMSA-N 277.374 4.690 30 10 CJEE C=CCc1ccccc1OCC1(CS)CC(C)(C)C1 2345005692 CGOCALUSAIQQCH-UHFFFAOYSA-N 276.445 4.530 30 10 CJEE C#CCCCCCCC(=O)Nc1ccc(C)c(Cl)c1 2352593514 FSQAWTZQQGZTOJ-UHFFFAOYSA-N 277.795 4.561 30 10 CJEE CCCCCCCCCCN(C)C1CC2(CSC2)C1 2353428625 FRTKAFYGIIRBCT-UHFFFAOYSA-N 283.525 4.955 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](C[C@@H]1C[C@H]1C)NCCC 2357006726 UAWFEAZFGWCDIK-XMTFNYHQSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@@H]1C[C@@H]1C)NCCC 2358323854 ZHKJAHCXUVVULF-FJIDUMEYSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)OCCC(CC)(CC)CNCCC 2360214527 JIGUHSPPJZTFQK-UHFFFAOYSA-N 281.484 4.720 30 10 CJEE Cc1ccc(C)c(Nc2ccc(C(F)(F)F)cc2C#N)c1 36926907 DTMCKGGWKMYSAR-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE CCCCCCCCn1cc(CC(=O)O)c2ccccc21 59089552 NEVYEKNHUHDGQS-UHFFFAOYSA-N 287.403 4.629 30 10 CJEE C[C@@H](CC#N)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 68611255 KZDJFGQLLUEIRD-UONOGXRCSA-N 298.361 4.571 30 10 CJEE C/C(CCc1ccc(O[C@H](C)c2ccccc2)cc1)=N\O 70543916 BZUMPTLFFVTKHQ-WBFOAEISSA-N 283.371 4.609 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(F)c(Cl)c1 70941724 JVKWNDSLKORSML-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2ccccc2c1 71277154 QJPWUXUYHTZMSH-GOSISDBHSA-N 253.389 4.847 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCC[C@H](C3CC3)C2)cc1 81630341 BLLYJCBHDFWXPM-YJBOKZPZSA-N 282.431 4.868 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCC[C@@H](C2CC2)C1 81642649 UFGBGZQTQGONDJ-CJNGLKHVSA-N 274.795 4.614 30 10 CJEE CCCc1nc(-c2ccc(CC)cc2)sc1CS 82428470 JULWEFGACLOONA-UHFFFAOYSA-N 277.458 4.755 30 10 CJEE CCCCCCCCCCCCCCOC(=O)CCN 84671400 PTKJGHDYANCGTE-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCCC[C@H]1C(=O)O 91351546 TZJHJWYLQRLGKS-DLBZAZTESA-N 297.483 4.608 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCCC2(C)C)CC1 94285081 JLTOFSQCTQAORE-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE CCC(CC)(CS)CN(Cc1ccccc1)C(C)C 94578619 LBXZSXLYCGVEAR-UHFFFAOYSA-N 279.493 4.633 30 10 CJEE SCC1(COC/C=C/c2ccccc2)CCCCC1 94582263 LYFGJOQCVJAWAY-JXMROGBWSA-N 276.445 4.597 30 10 CJEE C=C(CCCC)C(=C\C(=O)OCC)/C=C/CCCC 96675576 KTXYYUPTHWMXKY-HZMBCIISSA-N 264.409 4.969 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc2cc(C)ccc2o1 97419433 YBKZJKTYDQEZKQ-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(C)c2ccccc2n1 97816788 QJAMSZBXKFMHHE-SFHVURJKSA-N 282.431 4.940 30 10 CJEE CCCCCCCCO[C@]1(CNC)CCC[C@@H](C)C1 110070370 DSNMKNXJUHXYAU-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2ccccc2C(C)(C)C)n1 110260398 AWUKJPRAWOGCOC-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](C)N[C@H](C)C1 111784602 ZDSKCSCUUWBFRD-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2ccccc2n1 112639842 QGAGVOMYXIWHNJ-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CCCCCCCCCCC(=O)C1CCOCC1 114996763 OXUQUDKSJORQOC-UHFFFAOYSA-N 254.414 4.513 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCN(C2CC2)C1 115650519 RCOHINXSNFEUGK-IBGZPJMESA-N 295.511 4.897 30 10 CJEE C#CCCC[C@H](NCCC)c1cc2c(s1)CCCCC2 122849162 QUFPKYYBRQEFBX-INIZCTEOSA-N 289.488 4.861 30 10 CJEE C#CCCC[C@H](CCCCCCCCCCC)NN 124673965 PELTWTRFEUZGTB-QGZVFWFLSA-N 266.473 4.543 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(CCC)c1 125136420 WWELHUAQAVPMDZ-GOSISDBHSA-N 276.468 4.894 30 10 CJEE Cc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)s1 125315503 YCWCJMIMVWXCNZ-MDZDMXLPSA-N 279.364 4.501 30 10 CJEE CCCCCCCC[C@@H](CSC1CCCCC1)NN 126638174 IAMQMDPPEFUAJM-HNNXBMFYSA-N 286.529 4.635 30 10 CJEE CCCCCCCC[C@H](COC(C)(C)C)NCC 140282892 ASIJCANKEJQALL-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(CC)nn1CC 143422254 FFMAXUBFRVBDTC-QGZVFWFLSA-N 293.499 4.996 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 156005481 LSJNDHMBICVGDB-BRWVUGGUSA-N 251.458 4.641 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc(Cl)cc1F 161106647 JKEHJQUQNXCQLT-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCc1ccc(Oc2ccc(Cl)cc2C#N)c(OC)c1 232342283 FOPZSCILLQSAQZ-UHFFFAOYSA-N 287.746 4.575 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCCC1=O 232949334 ZWJXBCQLVOZPCX-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCO[C@@H]1CC 232992728 YFTJVDKTNLAKAH-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CC1=C[C@H](C)C[C@@H](CNc2ccc(Cl)c(C#N)c2)C1 235404128 UFKKOUZXUMLHKW-WCQYABFASA-N 274.795 4.616 30 10 CJEE C=CCCCCC[C@H](N)c1ccc(C)c(Cl)c1 235802009 CNCQSPSAEGIOMA-HNNXBMFYSA-N 251.801 4.785 30 10 CJEE C=CCCCCC[C@H](O)C1C2CC3CC(C2)CC1C3 236534413 JNRVJEBYMFEYQH-NFSPANSCSA-N 262.437 4.556 30 10 CJEE CCCCCC[C@H](C)c1nc(Cl)c(C#N)c(Cl)n1 248273446 RBRVGAIHQCIRPL-VIFPVBQESA-N 286.206 4.729 30 10 CJEE CCCCCCCCCCCCN[C@@](C)(CC)CN 312025914 WKCKEIDHRUUBTO-KRWDZBQOSA-N 270.505 4.624 30 10 CJEE N#CC1([C@H]2CCO[C@@]3(CCSC3)C2)CCCCCCC1 312451196 CNJLSBGJVAFFIB-RDJZCZTQSA-N 293.476 4.543 30 10 CJEE CCCCCCCCCN[C@@H](C1CCC1)C1CC1 324799151 OQWWZWGXQNVZKW-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCN[C@@H](C)[C@H]1CCCCO1 379218085 IHMCGNRUSUTASC-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C[C@H](c1ccccc1)N(C)CC1(CS)CCCCC1 383600513 BFWLYKHWIXMAON-OAHLLOKOSA-N 277.477 4.560 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)C1CC1 385627877 RSLOMIDGIJWUSH-INIZCTEOSA-N 263.812 4.737 30 10 CJEE CCCCN(CC(F)(F)F)CC1(CS)CCCCC1 387148671 XRCRAVBRZXBXEX-UHFFFAOYSA-N 297.430 4.531 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(C)cc(Cl)c2)C1 395081347 MFTPQURGRGSFHM-XYPHTWIQSA-N 291.822 4.792 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1ccccc1SC(F)F 397605508 WTTBMOVKOJWEAP-SNVBAGLBSA-N 284.375 4.599 30 10 CJEE C=CCCCCCCN[C@@H](CCC)[C@@H]1CC1(C)C 397624249 MBJRVSMIGWHHEB-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@H](C)NC1CC(c2ccccc2Cl)C1 398153002 FFRURIANVXVKFK-NFOMZHRRSA-N 277.839 4.920 30 10 CJEE C#CCCCCC[C@@H](CCC1CCCCC1)NCC 686696095 VCHFSAKCNIDNOP-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C#CCCCCC[C@@H](Cc1cccc(Cl)c1F)NCC 686699040 AOKNAQIQHYGAJU-HNNXBMFYSA-N 295.829 4.583 30 10 CJEE CC(C)(C[C@](C)(C#N)c1ccccc1)c1ccccc1 686732752 ZHWKNVNCNDTXMM-LJQANCHMSA-N 263.384 4.836 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C(C)C)nc(Cl)n1 692249921 AWWGVJKBVUOVOL-OLZOCXBDSA-N 293.842 4.800 30 10 CJEE CCCCCCCCC/C=C/C(C)=C/C(=O)OC 692351665 PXMOUTHJSMKJMV-SQIWNDBBSA-N 252.398 4.803 30 10 CJEE C=C([C@@H](NCC)c1cc2cscc2s1)C(F)(F)F 694325817 VPGMSGFDHOVQMQ-LLVKDONJSA-N 291.363 4.732 30 10 CJEE C[C@H](CC(C)(C)C#N)SCc1ccccc1Cl 695888846 ASCZYNOBZWXPGY-LLVKDONJSA-N 267.825 4.902 30 10 CJEE CCC(C)(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 696704731 KOPXJSQMHOEGCV-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE CCCCCCCCCC[C@@H](C(=O)O)C1CCOCC1 696812068 FBPAXBTVMAYSKA-MRXNPFEDSA-N 284.440 4.645 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc(C(F)F)c2F)C1 701298116 VHTUJIYFFUHEOS-UHFFFAOYSA-N 268.278 4.536 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnc(C2CC2)o1 707547161 CNLUJDDZXBQDCO-HNNXBMFYSA-N 278.440 4.953 30 10 CJEE CC(C)(C)C1CC(C#N)(c2ccc(C(F)(F)F)cc2)C1 708028726 JICPHKTZSPOCAL-UHFFFAOYSA-N 281.321 4.923 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)CC(C)(C)C 709140544 GBUCQCPDODUKJP-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE Cc1cc(N(C)[C@H]2C[C@H](C)CC(C)(C)C2)ccc1C#N 709180868 AINKPQXFSQHPIY-GUYCJALGSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@H]1CCCCC[C@H]1CNCC(C)C 710618095 DWARGOATJSBBPT-CABCVRRESA-N 257.849 4.571 30 10 CJEE C=C(Cl)CC1(CNC2CC2)CCC(CCC)CC1 710654022 HJRJESWBSPLVHP-UHFFFAOYSA-N 269.860 4.858 30 10 CJEE C=CC[C@H](C)[C@H](CCc1ccccc1C)NCCC 715793631 IBDCZTPXPZASSW-WMZOPIPTSA-N 259.437 4.508 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(F)ccc(C)c1F 715813242 KAJTXJTZYMWYND-BLLLJJGKSA-N 267.363 4.526 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCC3(CCC3)CO2)CC1 716342613 FCKXLYYJWPXDQV-UPTPFMHGSA-N 275.436 4.836 30 10 CJEE C=CCN(CCC)c1ccc(CNC(C)(C)C)cc1Cl 723174633 PLZFZCIDIPDCLD-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCC(F)(F)C(C)(C)CC1(C#N)C[C@H](C)O[C@@H](C)C1 724251435 MFFBXDCXONVSFD-RYUDHWBXSA-N 273.367 4.545 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccccc2Cl)CC1 724549895 ROILAIHXIZTPEI-MRXNPFEDSA-N 263.812 4.737 30 10 CJEE C=C(Cl)COc1c(Cl)cc(Cl)cc1Cl 1088738294 LKYPHVXYLOMJAI-UHFFFAOYSA-N 271.958 4.778 30 10 CJEE CCCCCCCCCN1CCc2ccccc2CC1 1167420191 BXYXRCAVIUKZSL-UHFFFAOYSA-N 273.464 4.838 30 10 CJEE C=CCCC[C@H](C)NCc1cc2ccccc2s1 1178305188 UXWZMQXBEKIJKA-ZDUSSCGKSA-N 259.418 4.736 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc2occc2c1 1179142351 FQLDPRKXOWNBFJ-WBVHZDCISA-N 269.388 4.657 30 10 CJEE C=CCCCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F 1194165484 SYEZYBYFESIZMT-ZDUSSCGKSA-N 285.353 4.534 30 10 CJEE C=CCC1(C(=O)Nc2cc(C)cc(C)c2)CCCCC1 1264223794 WNXVMGNQPKWNMY-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1269350614 JNLUDRWBQYTUKW-BZUAXINKSA-N 279.468 4.700 30 10 CJEE C=C(C)CCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 1271547808 APFQJUGLNHANCD-SNVBAGLBSA-N 286.202 4.527 30 10 CJEE C=CCCC1(CNC[C@H](C)C(C)(C)C)CCCC1 1308856715 ATEFJNHLDUMJSJ-HNNXBMFYSA-N 251.458 4.785 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc2c(c1)C[C@@H](C)O2 1308963045 OSPQGRQXUPTAGS-UONOGXRCSA-N 259.393 4.557 30 10 CJEE C=CCCCN(CC)C(=O)Nc1cccc2ccsc12 1310460676 UAVCBZAVUGROJG-UHFFFAOYSA-N 288.416 4.721 30 10 CJEE C=CCCC[C@H](C(=O)NCc1cccs1)c1ccccc1 1348530294 NYVIETLXYLHWRS-KRWDZBQOSA-N 299.439 4.504 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)c1ccccc1 1437619188 HWFJZRDPTICVQJ-SJLPKXTDSA-N 299.458 4.605 30 10 CJEE C=CCCC1(CNCCc2ccc(F)cc2F)CCCC1 1462423967 CADUQLWWZRTPTJ-UHFFFAOYSA-N 293.401 4.624 30 10 CJEE C#Cc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)cc1 1474358340 PZSDNPDPALNBQP-LJQANCHMSA-N 295.813 4.658 30 10 CJEE C=CC1(CC(=O)NCc2cccc(C(C)C)c2)CCCCC1 1523033565 KBAAIWVUGWFRBF-UHFFFAOYSA-N 299.458 4.953 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)cc(Cl)c1 1527917829 PYNLEDMKNLZJEZ-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C=CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)c1ccccc1 1583038896 YFQBCKSQYFTMJF-SJLPKXTDSA-N 287.447 4.882 30 10 CJEE C=C1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 1585041028 XDZGXPDVEWJSNY-UHFFFAOYSA-N 289.463 4.742 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](CC)Cc2ccccc2)c1 1585978015 TXOQBBMJSAOXKM-KRWDZBQOSA-N 293.410 4.927 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H]1CCCC12CC2 1596114578 PKYUOVXRPZOBNT-MRXNPFEDSA-N 277.452 4.600 30 10 CJEE FC(F)(F)c1ccccc1C#Cc1ccc(Cl)s1 1614730555 DCWOLUQQIMMJNF-UHFFFAOYSA-N 286.705 4.820 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)/C=C(\C)C(C)(C)C 1635802822 YESPGPIHEPANHE-FOWTUZBSSA-N 285.431 4.584 30 10 CJEE C=CCN(Cc1cc(C)ccc1C)Cc1ccccc1F 1652333764 ZECBJMIZHJIDJI-UHFFFAOYSA-N 283.390 4.631 30 10 CJEE C#CCCCCCCNc1ccccc1C(C)(F)F 1652494430 QIFCCHZLEHWPOY-UHFFFAOYSA-N 265.347 4.794 30 10 CJEE C=CCCCCN[C@H](CC(F)(F)F)c1ccc(C)cc1 1654049331 GCZGCZFZGURSDW-OAHLLOKOSA-N 285.353 4.934 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2ccc(C3CC3)cc2F)C1 1656357049 NOTBWIAERYEAQC-GUYCJALGSA-N 273.395 4.538 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC[C@H](C(C)C)C2)cc1 1657349278 KBFJRBAYFINTFF-ZWKOTPCHSA-N 287.447 4.556 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] 1658842950 ADSXRYHHFXLUSB-LSDHHAIUSA-N 290.407 4.770 30 10 CJEE C#CCCCCCCNCCc1cc2ccccc2s1 1659325197 ZYSKOGYPEQFRIU-UHFFFAOYSA-N 285.456 4.617 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(Cl)c(SC)c1 1659458433 UFWYTMPEMKENQT-SNVBAGLBSA-N 255.814 4.829 30 10 CJEE C#C[C@H](NCc1ccc2oc3ccccc3c2c1)C(C)(C)C 1664891949 MQFOSMURKMFGHS-IBGZPJMESA-N 291.394 4.724 30 10 CJEE C=CCCC[C@H](NC(=O)N[C@H](C)CCC)c1ccccc1 1676429678 LANYTOIRHOYKRR-WBVHZDCISA-N 288.435 4.572 30 10 CJEE C=C(C)CN(C)C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1680621806 SDYMADJUNXEXSH-ZDUSSCGKSA-N 286.419 4.511 30 10 CJEE C=CCCOc1cccc(NC(=O)CC2CCCCC2)c1 1860124748 ARAXCQRMCLZLQV-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](C)OC(C)(C)C 1876957986 APVOBTMKBNTCTJ-JKSUJKDBSA-N 271.489 4.919 30 10 CJEE C=C1CCC(CN(C)[C@H](C)[C@H]2CCC[C@@H](C)C2)CC1 1884407868 RKGIJACODJGGIT-NUJGCVRESA-N 263.469 4.879 30 10 CJEE CC#CCCCC[C@H](C[C@]12CCC[C@H]1C2)NCCC 1885227065 GLHFVTLGWKDSBG-RCCFBDPRSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc(Cl)c(F)c1 1885228721 OJYJNDQBASNPQD-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@]1(C)C=CCCC1 1885229769 UHFSNIOAQWTCAF-QZTJIDSGSA-N 261.453 4.685 30 10 CJEE CC#CCCCC[C@]1(CNCCC)CC[C@@H](CC)C1 1885238899 YKQIVNLGYRCIRT-MSOLQXFVSA-N 263.469 4.766 30 10 CJEE C=CCC(CC=C)SCCCB1OC(C)(C)C(C)(C)O1 1886288060 LHRZNVPGNQSAOG-UHFFFAOYSA-N 296.285 4.723 30 10 CJEE CCCCCCCCN(C)c1cc(Cl)ccc1CO 1887109603 JUJNRGLYUXSSEG-UHFFFAOYSA-N 283.843 4.629 30 10 CJEE C=C1CC(C[C@@H](NCCC)c2c(C)cccc2F)C1 1887322009 JRSYEOJHNCPWHC-MRXNPFEDSA-N 261.384 4.531 30 10 CJEE C#CC[C@@H](C)CC(=O)c1ccc(SC(F)(F)F)cc1 1887385585 BLYODSOKQKRPOU-SNVBAGLBSA-N 286.318 4.531 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1[C@H]2CC[C@H]3[C@@H](C2)C[C@H]31 1893352712 JGWAJYQFAVTNOF-FRMKIJSPSA-N 263.469 4.760 30 10 CJEE Cc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1C#N 1909664236 IEHBDTQOFVWOOU-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCCC[C@@]1(O)CCc2cc(Cl)ccc21 1919914142 JGPAMYCPPLDZKG-MRXNPFEDSA-N 266.812 4.834 30 10 CJEE CCCCCCCCC[C@]1(O)CCOc2ccccc21 1919920602 APKVBFRMGRWVEL-SFHVURJKSA-N 276.420 4.797 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CC(C(C)C)C2)CC1 1921293731 DTUWDXDRMCGEJP-ABHNRTSZSA-N 263.469 4.783 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@H]1CCCCC1(C)C 1922052468 SUDLJJZQWPWVEF-QGZVFWFLSA-N 286.415 4.545 30 10 CJEE C=C(COCc1ccccc1)C(=O)[C@H](CC)c1ccccc1 1922057241 JWARUYPEJLHIJW-LJQANCHMSA-N 294.394 4.522 30 10 CJEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)CC)NCCC 1922069208 OYGVHIBUNWPYGC-LPHOPBHVSA-N 289.463 4.564 30 10 CJEE C=C([C@@H](NCCC)[C@H]1CCCC2(CC2)C1)[Si](C)(C)C 1922979397 RWCKJJVYYPNJNM-JKSUJKDBSA-N 279.544 4.759 30 10 CJEE CCCCCCCCC(=O)[C@@H](N)CC1CCCCC1 1926786571 PMTHFYHJYWUTSE-INIZCTEOSA-N 267.457 4.604 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CCC2)C1 1931999768 DREXFDPKNRZNLV-POAQFYNOSA-N 296.458 4.760 30 10 CJEE Cc1ccc(CSCC2CCC(C)CC2)cc1C#N 1970538099 KXPBWQUPMOFRGX-UHFFFAOYSA-N 273.445 4.926 30 10 CJEE CC1CCC(C#N)(Cc2cscc2Cl)CC1 1983399783 WKHXZMPSZAANKS-UHFFFAOYSA-N 253.798 4.664 30 10 CJEE C=CCCCCC(=O)c1cc(C)cc(Br)c1 1984522152 QSXRYXVEAPZRQV-UHFFFAOYSA-N 281.193 4.687 30 10 CJEE CCCCCCCCC[C@@H](N)c1nc(Cl)cs1 2020252589 QTUUXFLQLYEUNF-LLVKDONJSA-N 274.861 4.937 30 10 CJEE C[C@H](CC(F)(F)F)CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2029281919 YCHWTGKIAKQINB-WSMDXJOWSA-N 277.355 4.533 30 10 CJEE O=CC1(C[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 2031697763 CPTHNLSMROHLDI-NEPJUHHUSA-N 262.315 4.505 30 10 CJEE C#CCCCCC[C@H](O)C(C)(C)C1CCCCC1 2032268741 MKIKKVCNFHBHID-INIZCTEOSA-N 250.426 4.538 30 10 CJEE CCCCCCCC[C@@H](NCC)c1csnc1C 2032862192 FTFTYRZWOHKDPM-OAHLLOKOSA-N 268.470 4.853 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2CC[C@@H]2C1 2034570458 SFYRQZCEKOOBHM-FVQHAEBGSA-N 251.458 4.905 30 10 CJEE N#C[C@@]1(CCc2ccc(Cl)cc2)CCC12CCC2 2047958477 JDPVTYCDFDGFIM-MRXNPFEDSA-N 259.780 4.747 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@]1(C)CCCCC1(F)F 2048972043 WWEVUNHRXXSWCH-STQMWFEESA-N 279.802 4.713 30 10 CJEE C=CC1(C[C@@H](NCC)c2cc(C)c(C)s2)CCC1 2049038953 ZZTBMUMCPHXQLE-CQSZACIVSA-N 263.450 4.762 30 10 CJEE C[C@H]1C[C@@H]([C@@]2(C=O)CCCC(C)(C)C2)CC[C@H]1C 2049501839 RKHNHQABGGCIAP-AESZEHBQSA-N 250.426 4.844 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(C2CC2)s1 2053070062 XJGCTAPXPVLAQK-TZMCWYRMSA-N 263.450 4.878 30 10 CJEE C=C([C@H](NC)C1(C)CCC(C)(C)CC1)C(C)(C)C 2056552160 JYDWUGYFHBTVOW-AWEZNQCLSA-N 251.458 4.783 30 10 CJEE CC[C@@](C#N)(c1nc(C)c(C(C)(C)C)s1)C(C)C 2064497010 GHNSZVCDKHPUGO-HNNXBMFYSA-N 264.438 4.576 30 10 CJEE C=CC[C@@H](CNC(C)C)C[C@H]1CC[C@H](CC)CC1 2072803012 DDGQZQGXETYFQK-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE C=CCCCC[S@@](=N)(=O)c1ccc(C(C)C)cc1 2073740504 MASFDFPIFJGJIH-GOSISDBHSA-N 265.422 4.572 30 10 CJEE CCCCCCCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCC 2076511351 CVBXLGAOPKTUDG-LUKYLMHMSA-N 251.458 4.761 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1CCCC(C)(C)C1)NCC 2082989762 CEXFFLOCUMVQSU-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@H]1C[C@]1(CNCC)C(F)(F)F 2083194009 HLFIYIOMTLGSTA-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE C=CCCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2083555297 OAXBCDYDIRIMEF-OAHLLOKOSA-N 286.246 5.000 30 10 CJEE C=CCCCCCC[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C 2085856926 SQAPOWRNMUWTAH-HMDCTGQHSA-N 250.426 4.556 30 10 CJEE C=CCCCCCCN(C)[C@H]1CC[C@@H](C(C)C)C1 2085857164 WCIRHCWBGNGSMZ-SJORKVTESA-N 251.458 4.879 30 10 CJEE CCCCCCCOc1ccc(CNCC)c(Cl)c1 2087095044 QWHLIJPXFMNCOM-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@@H](CC(C)(C)C)O1 2088329376 BCFCFPVVCQVANZ-HZPDHXFCSA-N 269.473 4.878 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)c(C)c1 2089354454 LNWDKVNKAWQFQI-OAHLLOKOSA-N 279.855 4.771 30 10 CJEE CC1(C)CCC[C@]1(C#N)C[C@@H]1CSc2ccccc21 2093009273 SZUWTXQLOQSCDK-CXAGYDPISA-N 271.429 4.986 30 10 CJEE CCCCCCCCC[C@H](O)C(C)(C)[C@H]1CCCO1 2093185266 OZUDTYFRBVDBLM-JKSUJKDBSA-N 270.457 4.693 30 10 CJEE Cc1scnc1CC1(C#N)CCC(C(C)(C)C)CC1 2096473039 FWXUPDHQZSANGY-UHFFFAOYSA-N 276.449 4.740 30 10 CJEE CC[C@H]1CCC[C@](N)(CC#CC2CCCCC2)CC1 2098466251 KBBLLHGJWIXRRE-WMZOPIPTSA-N 261.453 4.648 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCC(C)(C)CC2)cc1 2100868008 SOSUKGLQMFUVBX-SFHVURJKSA-N 258.405 4.713 30 10 CJEE C=CCC[C@@H](C)n1ccc2c(OCCC)cccc21 2102107842 RPFHILLKHRODTE-CQSZACIVSA-N 257.377 4.957 30 10 CJEE CCSc1ccccc1N=C1N[C@@](C)(C(C)C)CS1 2102246682 MXRYCAIGECMJPX-OAHLLOKOSA-N 294.489 4.537 30 10 CJEE CCC(CC)(CS)CN1C[C@H](C)C[C@H]2CCCC[C@@H]21 2103668429 WTXAQUFMJQGYLP-OAGGEKHMSA-N 283.525 4.623 30 10 CJEE C[C@H]1C[C@](C#N)(C2CCC(C(C)(C)C)CC2)CCO1 2105314980 NZJCEELZXQBWDA-PBMMVSLJSA-N 263.425 4.548 30 10 CJEE Cc1cc([C@H](C#N)Nc2cccc(Cl)c2)ccc1Cl 2107698241 VHWPSDUTUDTKPQ-HNNXBMFYSA-N 291.181 4.979 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(CC(C)C)cc1 2107989529 DLSWRTPROJHHAJ-MAUKXSAKSA-N 259.437 4.748 30 10 CJEE CCCCCCCCC[C@H](NC)C1(OCCC)CC1 2110259591 JRWCZHRJYLWXBH-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CC1(C[C@@H]2[C@H]3CC[C@@H](C3)C[C@H]2NCCC)CCC1 2111719162 MVIMMPPSIDTVSS-MWDXBVQZSA-N 261.453 4.537 30 10 CJEE C=CC1(C[C@]2(CNCC(C)C)CC=CCC2)CCC1 2111720370 HJTYHTBPOBLDOF-SFHVURJKSA-N 261.453 4.705 30 10 CJEE C=CC1(C[C@H](NCCC)[C@@H]2CCC[C@H]3C[C@H]32)CCC1 2111721755 VUTPRESQLQTFFE-HZMVEIRTSA-N 261.453 4.537 30 10 CJEE C=C1C[C@H]1C[C@]1(CNCC(C)C)CCCC(C)(C)C1 2112216377 BUPHMFWPLYFGHA-FUHWJXTLSA-N 263.469 4.785 30 10 CJEE Cc1scc([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)c1C 2112245261 QGTIMBIVCNGXGG-GDBMZVCRSA-N 277.433 4.509 30 10 CJEE CCCCCCCCCN(CCC#N)[C@@H](C)C1CC1 2113833522 GDDLUTVBHUGAPM-INIZCTEOSA-N 264.457 4.751 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc2ccccc2o1 2116658117 LNQMJSRQSQFNEP-DZGCQCFKSA-N 257.377 4.686 30 10 CJEE C#CCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCC 2116870957 QJQKNCCMHMFPTA-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE C=CC[C@@H](C)[C@]1(CNC(C)(C)C)CCCCC12CC2 2116977592 KEJRDYFXTQYYSB-CRAIPNDOSA-N 263.469 4.927 30 10 CJEE CC(C)(C)OCCCCC[C@]1(C#N)CCCC12CC2 2117000729 KSFNGZNIFAKNSD-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CN(CC1(CS)CCCCC1)[C@@H]1CCCC12CCC2 2117076565 HEKXNTSAUHYMTI-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE CC(C)(C)c1ccccc1C[C@@]1(C#N)CC=CCC1 2117653053 XDRJKANIYSHGRU-GOSISDBHSA-N 253.389 4.777 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@H](c2cccs2)CS1 2119012361 PIDLKUMFJYAIGS-OLZOCXBDSA-N 296.505 4.841 30 10 CJEE O=C[C@@]1(CC2CC(C3CCC3)C2)CCCCC12CC2 2120315267 LRDCFKJSQAKRRF-PVARCSIZSA-N 260.421 4.742 30 10 CJEE CCCCCCCCCC[C@]1(F)CCN[C@H]2CC[C@H]21 2121213683 LRKCBJRFVKMHDR-IKGGRYGDSA-N 269.448 4.997 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cc(F)cc(F)c1 2123081295 VMDGXFDBKJQSLH-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE COc1sccc1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2125177477 JAMPJQOREWEZLV-GFCCVEGCSA-N 278.417 4.712 30 10 CJEE C=C1CC([C@H](NC)c2cc(C(F)(F)F)ccc2Cl)C1 2125661896 OLRGGTCSVSBIQB-ZDUSSCGKSA-N 289.728 4.586 30 10 CJEE C=C(F)C[C@]1(CNC(C)(C)C)CCCCC12CCC2 2126108768 GROKRONBKYOJNZ-KRWDZBQOSA-N 267.432 4.979 30 10 CJEE O=C[C@@]1(C[C@@H]2CCCC3(CC3)C2)CCCC(F)(F)C1 2128448075 WKLGIVRUQOQLBT-UKRRQHHQSA-N 270.363 4.742 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](N)(CC#C[Si](C)(C)C)CC1 2130916491 DEYILVNHOIXRKG-RDJZCZTQSA-N 279.544 4.581 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)C1(CCC)CCC1 2130930864 VNVNKGODFWHWMD-MRXNPFEDSA-N 279.544 4.596 30 10 CJEE C[C@H]1C[C@](C#N)(Cc2cccc(C(F)F)c2)CCS1 2132858031 JSGITGYOWAUARJ-NHYWBVRUSA-N 281.371 4.592 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CC12CC(F)(F)C2 2132888936 SGXZVNNKLOWIGZ-KGLIPLIRSA-N 273.411 4.760 30 10 CJEE C=CC1(CN[C@@H](C)C[C@@H](C)C(F)(F)F)CCCCC1 2132979755 STBFLWHFHFJKAJ-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE C[C@H](C[C@@]1(C#N)CCOC12CCCCC2)C(C)(C)C 2134053353 CYOXCDHINICZEU-GDBMZVCRSA-N 263.425 4.692 30 10 CJEE CCCCCCC[C@@H]1C[C@@]1(CNC(C)C)C(F)(F)F 2138699809 VLMDHSZJSGLNCA-KGLIPLIRSA-N 279.390 4.914 30 10 CJEE CCCCCC#CC[C@@H](N)[C@H]1CCCC(C)(C)CC1 2138955657 CBIJWQLWLUEJHX-DLBZAZTESA-N 263.469 4.894 30 10 CJEE CCCCCC#CC[C@@H](Cc1ccsc1)NCCC 2138955785 DIKQFNDEWSFXEU-KRWDZBQOSA-N 277.477 4.633 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@@H]1CCCC12CCC2 2138957789 AACJPHHSNJUQNY-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCCCC#CCC1(CNC(C)(C)C)CC(C)C1 2138986640 XDHWUEGVXORNFD-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@@H](CC[C@H]1CC1(C)C)NCC 2138998562 BIKQPUDZYPNVAW-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE C=CC1(C[C@H](CC2CC(CC)C2)NCCC)CCC1 2140883948 BIVPDBHCQPEVME-JCYILVPMSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCCOC(C)(C)C[C@@H](C)N 2142453377 QLWLRWGDTUSESV-MRXNPFEDSA-N 269.473 4.826 30 10 CJEE CCC[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(Cl)cc1 2143837848 RVAUPXHUZXSFMW-PVAVHDDUSA-N 290.838 4.853 30 10 CJEE CCCCCCCCC[C@@]1(N)CCOC12CCCCC2 2143848867 ZVMMCFZZQRQRGC-QGZVFWFLSA-N 281.484 4.948 30 10 CJEE C=CCCCN(CC)c1ccc([C@@H](C)NCC)c(Cl)c1 2144523977 QWBDKDNFTZCBIF-CQSZACIVSA-N 294.870 4.803 30 10 CJEE CCCCCCCCO[C@](CCC)(C(=O)O)C1CCC1 2146695338 SIVWJIJGBKHYJI-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCCCC(=O)[C@](O)(CC)c1ccccc1 2147001987 GZDGQXMLJAQGFN-SFHVURJKSA-N 276.420 4.604 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)c1csc(C)c1 2148577551 GAKNRBAWRCCVKS-DLBZAZTESA-N 297.508 4.948 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H](O)c1ccccc1Cl 2148588982 QCEURTNXOORVAM-SJORKVTESA-N 297.870 4.712 30 10 CJEE CCCCCCCCCCCC[C@@]1(F)CCOC[C@H]1N 2148747592 VLISMTAXFFZFPR-IAGOWNOFSA-N 287.463 4.753 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H]3CC[C@H]2C3)c1C#N 2152483730 RZYPYPIQDVPMAY-VNHYZAJKSA-N 286.444 4.661 30 10 CJEE C=C(C)CC[C@@H](C)NCc1c(CC)oc2ccccc12 2152865387 OPTJFJBNUDWZAW-CQSZACIVSA-N 271.404 4.830 30 10 CJEE CC(C)(C)[C@H](C#N)CN[C@@H]1CCCCCCCC1(F)F 2152949025 YCQIFQLDCZPQQX-ZIAGYGMSSA-N 286.410 4.510 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CCC(F)(F)CC 2153587315 PJYFZHZLLQWKAA-HUUCEWRRSA-N 293.442 4.641 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)[C@@H](C)CC(C)C)CC1 2153919463 DLXWUIPCAJQPBP-PBHCIXSXSA-N 279.468 4.920 30 10 CJEE CC1(C)CCC2(CC1)CC(Nc1cccc(C#N)c1)C2 2156625742 RIAJJGVFPHOLJB-UHFFFAOYSA-N 268.404 4.719 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2CCC3(CCC3)O2)CC1 2157102528 ZQDQJQMONKGCOT-NVXWUHKLSA-N 278.436 4.654 30 10 CJEE CC1(C)CCC[C@](C#N)([C@H](O)c2ccccc2Cl)CC1 2157120577 NRKWNTPFCBNZOL-WBVHZDCISA-N 291.822 4.874 30 10 CJEE C=C(COCCC)[C@H](NCC)[C@@H]1CCC[C@@H](CC)CC1 2159324207 USMDGPXOVHHYPN-KURKYZTESA-N 281.484 4.554 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)CC1 2159449312 LUDNXDSZPOJVTI-GXTWGEPZSA-N 291.826 4.768 30 10 CJEE CCC[C@@H]1CCC[C@H](N=C2N[C@](C)(C3CC3)CS2)CC1 2159464035 QNIMRDAIUHRZEU-KMFMINBZSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CCC[C@@H](CN=C2N[C@@H](C(C)(C)C)CCS2)CC1 2159520648 YXDDRNGBEAHQOG-RBSFLKMASA-N 296.524 4.700 30 10 CJEE C=C1CCC(C[C@]2(CNC3CC3)CCS[C@@H](C)C2)CC1 2159714299 HQBYAQSWUAERDO-YJBOKZPZSA-N 293.520 4.777 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H]2CC(C)C)c1C#N 2161920540 JYHATKQDPNBIFT-UKRRQHHQSA-N 288.460 4.907 30 10 CJEE C=CCOc1ccccc1[C@@H](CC(C)(C)C)NCCC 2164190949 LYQMUBYQNQTVFC-MRXNPFEDSA-N 275.436 4.728 30 10 CJEE CCCCCCC[C@H](NCCC)c1cnc(F)cc1C 2164266483 ZTIOIKGVMISAMB-INIZCTEOSA-N 280.431 4.930 30 10 CJEE C=CCN([C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N)C(C)(C)C 2165130100 IMAHIUGNBYWBBK-ARFHVFGLSA-N 276.468 4.627 30 10 CJEE CCCCCCC[C@H](C[C@@H]1C[C@H]2CC[C@H]1O2)NCCC 2168097921 MLVAUIYOYBAXJB-BRSBDYLESA-N 281.484 4.673 30 10 CJEE C[C@H](C1CCCCC1)N(C)[C@H](CC#N)c1ccccc1 2168422802 GSIIMSQBOYZVEP-CRAIPNDOSA-N 270.420 4.542 30 10 CJEE C[C@H]([C@@H]1CCCC(C)(C)C1)N(C)[C@@H]1CCCC[C@H]1C#N 2168533038 YHUHDLIVWZLHKE-WCXIOVBPSA-N 276.468 4.605 30 10 CJEE C[C@H]([C@H]1CCCC(C)(C)C1)N(C)C[C@H](C#N)C(C)(C)C 2168533649 UHEOZIGGAXHESM-PMPSAXMXSA-N 278.484 4.709 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2C[C@]23CC3(F)F)CC1 2172031968 NDHPEOHTJCFJAA-PMPSAXMXSA-N 283.406 4.536 30 10 CJEE 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CCCCCCC[C@H](O)[C@@H](CC[C@@H]1C[C@@H]1CC)NCC 2358720688 IYBLZKVQPFMOBC-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE C=CC[n+]1c(C)cc(-c2ccccc2)cc1-c1ccccc1 5378941 NBEYDIBXBAITCO-UHFFFAOYSA-N 286.398 4.803 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 37333958 LHZIOLMBJTZTGV-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCOc1cccc(OCCC[C@@H](C#N)c2ccccc2)c1 57684531 XBBTXZIOASPQSR-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE CCCCCCCCCNc1ccc(OC)c(OC)c1 59088802 ZKLKMBNEMPODTL-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE C=CCc1cccc(C(C)=O)c1OCCCCCC 66118067 DNXXUSLKPHTWCK-UHFFFAOYSA-N 260.377 4.577 30 10 CJEE CC(C)c1cc(CS)c2cccc(C(C)C)c2n1 82464929 HNNVHKNLJDNYLP-UHFFFAOYSA-N 259.418 4.911 30 10 CJEE C=CCC[C@@H]1NCCc2cc(Oc3ccccc3)ccc21 83706268 ISFZOFATQUHWII-IBGZPJMESA-N 279.383 4.632 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)cc1F 91883533 BTNFRKYKNSKTSY-ZCDVPAHGSA-N 289.394 4.524 30 10 CJEE Fc1ccc(SCC2(CS)CCCCC2)cc1F 94588912 YGBAJCXSRCJCJR-UHFFFAOYSA-N 288.428 4.937 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc2ccccc2c1 97208647 REARCRGSHTVSGL-GOSISDBHSA-N 253.389 4.847 30 10 CJEE C=C(C)CC[C@H](NCC)c1cc(C)nc2ccccc12 97419577 OLYXDOZGXXNUFH-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc2nccnc2c1 109903938 OHNCWGVXRNHZCN-CQSZACIVSA-N 271.408 4.791 30 10 CJEE CCCCCCCCOc1ccc(C#N)c(Cl)c1 110261989 KICMFMLLVBIFKV-UHFFFAOYSA-N 265.784 4.951 30 10 CJEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)cc1 111042506 INCZVNYOMMFDRY-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccc(F)cc1 112889761 CAHXMJYYADAVCK-KRWDZBQOSA-N 265.416 4.836 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCc2ccccc2C1 116262841 JEDACASINVWVTL-OALUTQOASA-N 274.448 4.903 30 10 CJEE CCCCCCCCC[C@@H](CO)Cc1cccc(OC)c1 117328779 KLEJUTATTWGCCT-GOSISDBHSA-N 292.463 4.987 30 10 CJEE CCCCCCCCCCCCN(C)CC(C)(C)O 118620248 CJHWERTUEDUGKF-UHFFFAOYSA-N 271.489 4.610 30 10 CJEE CCCCCCC[C@H](C[C@H](C)CC(C)(C)C)NN 122282861 CVVUMKAPERYFNN-LSDHHAIUSA-N 256.478 4.641 30 10 CJEE CCCCCCCOc1cc(C)ncc1CNC(C)(C)C 122835105 REYDBPHGBMBYBK-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](OCC)C1CC1 123185492 IBRCMOHCBOZJBH-DLBZAZTESA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC[C@]1(O)C[C@@H](C)N(C2CC2)C1 123782795 NTWGKZREPUIHLD-AEFFLSMTSA-N 281.484 4.505 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCc2occc21 124182122 APCRXRHPHUZQKY-QGZVFWFLSA-N 264.409 4.944 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1c(F)cc(F)cc1Cl 124192376 RWLJHBSOYKSBCZ-RNCFNFMXSA-N 284.737 4.503 30 10 CJEE CC#CCC[C@@H](NCCC)c1csc2ccccc12 124629375 ACHGLCWQASZGTA-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE CCCCCCCNCc1cc(C)c(F)c(C)c1 126154387 UEJNZVQETRZFRU-UHFFFAOYSA-N 251.389 4.503 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H]1Cc2ccccc21 126591000 WCVNILWWZDXWBL-RBUKOAKNSA-N 288.479 4.689 30 10 CJEE CCCCCCCOC[C@@H](CS)c1ccccc1 127154694 JSARCTHUKHLTEX-INIZCTEOSA-N 266.450 4.687 30 10 CJEE CCCCCCCCCCN[C@@H](C)CCSC 130208503 DTCOMKPSTXVBEJ-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE C#CCCC[C@H](CSc1ccccc1Cl)NCCC 134079746 SEFOISHBHQUETH-CQSZACIVSA-N 295.879 4.604 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1Cc2ccccc2S1 135385726 ATEBQMCVKJNBGJ-NVXWUHKLSA-N 278.461 4.815 30 10 CJEE N#CC1(Cc2cccc(F)c2F)CCCCCCC1 158878541 NDTFNEMRIHRCQK-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE C=CC[C@H](C)N[C@H](c1ccccc1)c1ccc(C)cc1C 162634826 GEASCBSAYIEOTN-FXAWDEMLSA-N 279.427 4.947 30 10 CJEE C=C(C)CCSc1cccc([C@@H](C)NCCC)c1 164863720 DKMXIPIRKCAXCY-CQSZACIVSA-N 263.450 4.806 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccnn1CC 165610309 YCFJTTQFFJDXFA-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)CCCN2 167458740 ZRVXAMNEOABPGL-UHFFFAOYSA-N 259.393 4.588 30 10 CJEE C=CCCCOCc1ccc(Br)cc1Cl 168681729 PCPPHEMBWWBTSR-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE COc1cc(Cl)c(C)cc1Nc1c(C)cccc1C#N 220984387 YCCJAJHGJRXZSQ-UHFFFAOYSA-N 286.762 4.581 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(CC)c2cccc(C)c2)C1 222790940 HPAZZQVUNJHEFU-LMMKCTJWSA-N 284.447 4.930 30 10 CJEE C=CCCCOc1nc(NCCC)c(Cl)cc1Cl 226631688 GJTZWDSCZWGSRD-UHFFFAOYSA-N 289.206 4.555 30 10 CJEE C=CCC[C@H](NCC)c1cc(C)c(Br)c(C)c1 228388819 CBSMUFYCZKNIAA-AWEZNQCLSA-N 296.252 4.683 30 10 CJEE CCCCCCC[C@@H](NCC)c1cccc(OC)c1F 229064482 GTFMAJCULALVGH-OAHLLOKOSA-N 281.415 4.845 30 10 CJEE CC(C)C(CNc1ccc(C#N)cc1Cl)C(C)C 229567363 SBPPBVBDGWEPBZ-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1c(F)ccc(C)c1F 229757179 QYYPBUICGRJVKL-CQSZACIVSA-N 267.363 4.670 30 10 CJEE CCCCCCCCCc1nc(CC)n(CCC)c1N 232959684 FWOPUVYZCBYNKC-UHFFFAOYSA-N 279.472 4.731 30 10 CJEE CC#CCC[C@@H](NCC)c1cc(Cl)sc1Cl 233605038 LJNJMDXMKWIHDW-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C=CCCCCC[C@@H](N)c1ccc(F)c(Cl)c1 236315908 SSQXSPNIRABQNN-CQSZACIVSA-N 255.764 4.615 30 10 CJEE CCCCCCCCCNC[C@@H]1C[C@H]2CC[C@H]1C2 250829090 PMTUTZLBRSRRLX-ULQDDVLXSA-N 251.458 4.763 30 10 CJEE CCC[C@@H]1CCCN([C@H](CC#N)c2ccccc2)CC1 251307463 IJPJLAKLEFLYSX-SJLPKXTDSA-N 270.420 4.544 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 253049994 TWYKCWUPFSTIDC-FPSMNIFISA-N 283.500 4.904 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C)[C@H]1CN 299955230 HGQDHJJCAAEUIH-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCC(F)(F)C1 302455048 XUVKOFHFLVMLNC-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCC1CCC(C#N)(CCOCc2ccccc2)CC1 309852818 BGXNPMSEQQXHSE-UHFFFAOYSA-N 271.404 4.703 30 10 CJEE C=CCCCCNC1CC(c2ccc(Cl)cc2)C1 311023220 OPPOYTBFGFTLRN-UHFFFAOYSA-N 263.812 4.532 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCc2sc(Cl)cc21 311221821 PPUHRYHRUHHKNA-LBPRGKRZSA-N 283.868 4.971 30 10 CJEE C=CCCCCCCN[C@H]1CCc2ccc(C)cc21 312053175 CXEZALNWHZPPJM-SFHVURJKSA-N 257.421 4.708 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(C)c(F)c1 312227246 IOLZXWXXODEXMC-KRWDZBQOSA-N 275.411 4.614 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(C)c(C#N)c(C)c2C)C1 312246758 IEWGTOFZZUKEGN-CVEARBPZSA-N 271.404 4.831 30 10 CJEE CCC1CCC(C=O)(Cc2nc3ccccc3s2)CC1 316774864 FIVMKZGOOAVBPU-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316923076 ZZPDDAPBZQATNR-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=C(C)CC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 318084621 JWGDFDZTIWEGSF-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCC1CCC(C(=O)[C@H](C#N)c2cccc(Cl)c2)CC1 328312686 BPHVXDFOLCFHSL-SEEARECTSA-N 289.806 4.733 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](/C=C\C)c1ccccc1 380879769 ASODXXYVMIVIJJ-BCTQVIJGSA-N 287.403 4.727 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@H](c2ccccc2)CS1 386256475 JMVQYXVJRDTKSV-HIFRSBDPSA-N 290.476 4.635 30 10 CJEE C=CCCCCNc1nc(Cl)nc2sc(CC)cc12 389402850 JAWUJDFGKHOFTM-UHFFFAOYSA-N 295.839 4.675 30 10 CJEE C=CC[C@@H](CC)N[C@H]1c2ccccc2CCC1(C)C 393768403 FQYUCYSVBKNAQF-WBVHZDCISA-N 257.421 4.644 30 10 CJEE C=CC[C@H](CC)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 393813840 TYLDJFRDYPNPEV-XGXHKWSGSA-N 271.448 4.903 30 10 CJEE CCCCCC[C@H](C)OCCCB1OC(C)(C)C(C)(C)O1 393913217 PWSIGHSSDVINMM-HNNXBMFYSA-N 298.276 4.844 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnc(C)cc1C 397447557 NMOKKIQVLQQYBB-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE CCCCCCCC[C@@H](CC1(COC)CC1)NCCC 401246692 LEMGFVBXBRFEQL-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE C[C@H](c1ccc(Cl)cc1Cl)N1CCC(C)(C#N)CC1 506047023 GIXCDEYHHUSHCR-LLVKDONJSA-N 297.229 4.680 30 10 CJEE C=C(C)C[C@H](C)c1nc(C2(c3cccc(C)c3)CC2)no1 560355491 BERJWWKVDCAUTC-AWEZNQCLSA-N 282.387 4.528 30 10 CJEE C=C(C)C[C@@H](C)c1nc(CSc2ccc(F)cc2)no1 573164984 LOJCOMRMEBMKMU-LLVKDONJSA-N 292.379 4.571 30 10 CJEE C=CCCCCC[C@]1(CNCC(C)C)C[C@@H](C)O[C@H]1C 686484477 FOCLUHJBLONZCO-FGTMMUONSA-N 281.484 4.552 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(F)c2)cc(C)c1Cl 690236081 USSJBBJGEOMPRA-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1cc(C#N)ccc1Cl 691051627 DBTPWZQRQHVZSX-HIFRSBDPSA-N 276.811 4.982 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](COC)OC 691116783 MTUOQUHRPQHISB-QGZVFWFLSA-N 286.456 4.528 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](C)CNC 695607956 HYXHPJKPSPWEHW-DLBZAZTESA-N 271.489 4.514 30 10 CJEE CCCCCCC[C@H](O)c1ccsc1Br 698648868 UTMDYXWMAKEJFM-NSHDSACASA-N 291.254 4.905 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(Cl)cc1F 704039045 VBJQGRWFHIQBQF-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H](C)C(F)(F)F 705472188 ADDBGZICIPUCRB-VXGBXAGGSA-N 253.352 4.653 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)[C@]12CCCC[C@@H]1C2 709204091 OHTSYPPAOJQADC-NORZTCDRSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C(=O)O 709352052 BCWDNOBHUJSJNN-RISCZKNCSA-N 293.794 4.585 30 10 CJEE CSc1cccc(N[C@@H](C)CC2CCCC2)c1C#N 712541141 QHOHGRYSQYPXHE-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2cc(F)cc(F)c2)C1 719377038 MAZWVGWCODDGRD-KZTGVZKYSA-N 263.331 4.644 30 10 CJEE C=C1CCC(C[C@@H](NCC)C23CCC(CC2)C3)CC1 724602440 KZOYLNBUDWPSOQ-LXPRWKDFSA-N 261.453 4.681 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2cnc3ccccc3c2)CCC1 791795496 UCTBWLNZIGMLJP-AWEZNQCLSA-N 295.382 4.585 30 10 CJEE CC(=NNc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1Cl 920356608 NDAAUUBSDWDWFM-JKSUJKDBSA-N 284.790 4.932 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C 1125051166 YCTXLFLKSSAXLE-MRXNPFEDSA-N 291.410 4.631 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](CC)c1cc(C)ccc1OC 1127448766 ZSMYJLPBMBMWHN-GOEBONIOSA-N 290.403 4.600 30 10 CJEE C=CCCCC(=O)Oc1cccc(C2CCCCC2)c1 1131084096 OPSKTKVLHFDXTE-UHFFFAOYSA-N 272.388 4.996 30 10 CJEE C#CCCCCCCN(C)[C@H](CC)Cc1ccccc1 1167518080 TYCDTMFXGHXRIQ-LJQANCHMSA-N 271.448 4.523 30 10 CJEE C=CC[C@H](NC[C@@H]1CCC[C@H](CC)C1)c1ccncc1 1177885283 OCPXEWDRUIQMKI-JZXOWHBKSA-N 272.436 4.505 30 10 CJEE C=C(C)c1cccc(NCc2ccc(C)c(OC)c2)c1 1179747990 ULKHKPAERINHOP-UHFFFAOYSA-N 267.372 4.649 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc3ccccc3cc2OC)C1 1182795532 DTRJEMHYCKCESW-INIZCTEOSA-N 295.426 4.637 30 10 CJEE C#Cc1ccc(CNc2cccc(Cl)c2OC(C)C)cc1 1200400379 IICDSXQRCRSIMM-UHFFFAOYSA-N 299.801 4.721 30 10 CJEE CCCCCCCCCN(CCC)C1CCOCC1 1201852501 ARSXXSJDYOJSGQ-UHFFFAOYSA-N 269.473 4.628 30 10 CJEE C=C(C)c1cccc(NCc2ccc3[nH]ccc3c2)c1 1203962060 WQQPWJJAOINPLW-UHFFFAOYSA-N 262.356 4.813 30 10 CJEE C=CCCCC(=O)N[C@@H](c1cccs1)C(CC)CC 1264746358 OTEYYBCNUBTKGO-MRXNPFEDSA-N 279.449 4.698 30 10 CJEE C=CCCCCCCCNC(=O)C1(c2ccccc2)CCC1 1274904584 QKKCBXDCJBLFGL-UHFFFAOYSA-N 299.458 4.751 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(Cl)s1 1357696654 DVAKKVRLQHNTEY-JTQLQIEISA-N 284.808 4.774 30 10 CJEE C=CCCCCN1[C@H](C)C[C@H](c2ccccc2)C1(C)C 1473744592 AOJGPHJMDGLPAW-SJLPKXTDSA-N 271.448 4.999 30 10 CJEE C=CCOc1ccc(CN(C[C@H]2C[C@@H]2C)C(C)(C)C)cc1 1474334307 LFKOISMUYBYATN-DOTOQJQBSA-N 287.447 4.508 30 10 CJEE C#Cc1cccc(N[C@H](CC)Cc2ccc(Cl)cc2)c1 1474423308 ATXMVGRRBSSBDH-QGZVFWFLSA-N 283.802 4.755 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC1CCCCCCC1 1474576468 NNSALRJHVYKLKM-IBGZPJMESA-N 271.448 4.876 30 10 CJEE C=CCC[C@@H](CCC)NCCc1ccc2ncccc2c1 1474708701 MUFQSFRQUYOMEE-GOSISDBHSA-N 282.431 4.502 30 10 CJEE C=CCCC[C@@H](C(=O)NCC1(CC)CCC1)c1ccccc1 1515161169 XIQLZCIYZKHMDG-GOSISDBHSA-N 299.458 4.823 30 10 CJEE C=CCC1(C(=O)NCCCc2ccc(C(C)C)cc2)CCC1 1521427524 BCLMSLCTTJGYIJ-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=CCC[C@H](C(=O)N(C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 1526274576 AUAUABHYBFVOJU-UHOSZYNNSA-N 299.458 4.774 30 10 CJEE C=C(C)CN(CC)C(=O)[C@](C)(CC)CCCCCC 1532352346 FARKNROCZOEIJK-QGZVFWFLSA-N 267.457 4.798 30 10 CJEE C=C(C)CCC(=O)N[C@@H](CC)c1cccc2ccccc12 1535165302 RRWDIRPBOYSDHB-SFHVURJKSA-N 281.399 4.763 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc2ccn(CCC)c2c1 1539043494 NQVBIRYRNMLOTE-AWEZNQCLSA-N 284.403 4.592 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccccc1CC(C)(C)C 1544422215 GPBZHLZASRNJGR-UHFFFAOYSA-N 287.447 4.607 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CCc3ccc(OC)cc3C2)c1 1560612146 ZMVLPEJNOBLGQP-LJQANCHMSA-N 293.410 4.698 30 10 CJEE C=CCC[C@H](NC(=O)[C@H](CC)CC(C)C)c1ccccc1 1583038894 YFQBCKSQYFTMJF-AEFFLSMTSA-N 287.447 4.882 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cccc2ccsc12 1587775935 CQJQGDZJPVWLJG-UHFFFAOYSA-N 287.428 4.624 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 1597112976 GXAURZYDYBVEBL-CVEARBPZSA-N 293.495 4.948 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 1611264316 RQIJODKXCZUBHM-GOSISDBHSA-N 297.442 4.529 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(F)cc2F)cc1 1614825522 IOVKOGSLYRPVRT-UHFFFAOYSA-N 286.321 4.544 30 10 CJEE C=CCCCCN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C 1618195482 CFEQUJUONGNSAK-NUJGCVRESA-N 257.421 4.609 30 10 CJEE C=C(CC)CN1CCC[C@]1(C)Cc1cccc(Cl)c1 1643673130 MZQQMXRUAXKZTP-QGZVFWFLSA-N 277.839 4.703 30 10 CJEE C=C(CC)CN1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 1645020386 CYZRPVLHSWWKJL-NSHDSACASA-N 284.230 4.879 30 10 CJEE CCCCCCCCCN[C@@H]1CCO[C@@H](C(C)C)C1 1648725163 GFFXGYXHWROOSL-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE C=CCN(Cc1ccc(F)cc1C)CC1CCCCC1 1652493282 KFISBVXYYRBQDF-UHFFFAOYSA-N 275.411 4.702 30 10 CJEE C=CCCCCCCN[C@@H](C)Cc1ccc(C)cc1 1659750050 UDNQYXUXOPAVTP-KRWDZBQOSA-N 259.437 4.652 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccccc1C(C)C 1665024973 IXUDPBRVQFFAAP-UHFFFAOYSA-N 274.408 4.676 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@]1(C)C[C@]1(F)Cl 1665146160 KPACEXZLNFLHIV-RRFJBIMHSA-N 275.839 4.806 30 10 CJEE C=CCCC1(CNC(=O)Nc2ccsc2C)CCCC1 1674174154 PXCGTIPDYHGOEQ-UHFFFAOYSA-N 292.448 4.705 30 10 CJEE C=CCCCCNC(=O)N(C)C1CCC(C(C)(C)C)CC1 1681816692 XGGXLYJOEIUPTG-UHFFFAOYSA-N 294.483 4.589 30 10 CJEE C=C(C)COc1ccc(NC(=O)CC2CCCCC2)cc1 1860154968 DVIBBGUZROYIJE-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCN=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1860488880 OJXDAICGPABADY-UHFFFAOYSA-N 297.202 4.689 30 10 CJEE C=CCSc1nc(-c2cc(C)ccc2C)cs1 1860817166 ZQGDWXQCBVEDGU-UHFFFAOYSA-N 261.415 4.705 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1C(C)=CCC[C@@H]1C 1879651397 SDZDEFQFGAZEJR-BZSNNMDCSA-N 261.453 4.541 30 10 CJEE C=CC[C@@H]1CCCCN(CCc2ccc(Cl)cc2)C1 1884560460 STRMMWQIWSPAKE-MRXNPFEDSA-N 277.839 4.561 30 10 CJEE C#CC[C@@H](C)C[C@@]1(CNCC)CCCC(C)(C)CC1 1887453839 UOHNRJADONWQPP-SJLPKXTDSA-N 263.469 4.622 30 10 CJEE C=CCN(CC[C@@H]1CC[C@@H]1C1CC1)Cc1ccccc1 1891518114 XGGFVLOONQBZNT-RBUKOAKNSA-N 269.432 4.501 30 10 CJEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)CC(C)C 1892406871 QKALSUYTRIGWNU-HXUWFJFHSA-N 277.411 4.519 30 10 CJEE O=C(C=C1CCC1)c1ccccc1OCc1ccccc1 1899094277 COVOOKQESZYXKJ-UHFFFAOYSA-N 278.351 4.559 30 10 CJEE CCC(CC)[C@@H]1CNC(=NCC2C[C@@H](C)C[C@H](C)C2)S1 1912023223 CPQSHXZVWCUGGT-XEZPLFJOSA-N 296.524 4.556 30 10 CJEE CCCCCCCCC[C@@]1(F)CCC[C@]12CCNC2 1918286644 CZLYZSGNNITODD-IAGOWNOFSA-N 269.448 4.999 30 10 CJEE CCCCCCCC[C@@]1(F)CCC[C@@]12CCNC2 1918324600 FQFFWAHHDOZXQL-JKSUJKDBSA-N 255.421 4.609 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@@H]1CCCC[C@@H]1CC 1919402163 OXXPONUKZGZIKL-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(F)c(F)c1 1920461895 RDNUXCPSQGCVTD-INIZCTEOSA-N 269.379 4.889 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2ccc(Cl)s2)C1 1921102918 PQYRRIQCOJVSKV-KCPJHIHWSA-N 297.851 4.719 30 10 CJEE CCCCCCCC1(CNCCOC)CC(C(C)C)C1 1921181759 BABGNOMSLFFQDH-UHFFFAOYSA-N 283.500 4.635 30 10 CJEE O=C[C@@]1(CCSC2CCCCC2)CCCC12CCC2 1921626264 ZRPQATKVNNBKMP-KRWDZBQOSA-N 280.477 4.982 30 10 CJEE C=C([C@@H](CCc1ccc(C)cc1)NCCC)[Si](C)(C)C 1922862810 LUOCMNJPTXFEMP-GOSISDBHSA-N 289.539 4.729 30 10 CJEE CCC(CC)C[C@@H](C#N)Nc1cccc(Br)c1 1926158044 SNNWXQDYTZBFSY-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE CCCCCCCCCOC[C@@H](N)CC1CCCC1 1926649333 JWVAKGFQZLAVPQ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCC[C@H](CC)CN=C1N[C@@H](CC2CCCC2)CS1 1926673263 WWCXDNVGTQINKX-HOCLYGCPSA-N 296.524 4.844 30 10 CJEE C=C([C@@](C)(N)c1c(Cl)cccc1Cl)[Si](C)(C)C 1949119189 CLWLZXOWYWELCK-CYBMUJFWSA-N 288.294 4.601 30 10 CJEE CCCCCCCCNCC=Cc1ccc(F)cc1 1951311399 VOQKUUNJCCZNMB-UHFFFAOYSA-N 263.400 4.789 30 10 CJEE C#CCCCCC(=O)c1cscc1OCc1ccccc1 1957081968 COHNMSJNTJIQBR-UHFFFAOYSA-N 298.407 4.703 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 1962790937 VZWIDTHDAFFWPH-QTMHVTGLSA-N 275.480 4.927 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C 1964578092 ZHWKZGJPYAEBAY-VKJFTORMSA-N 257.421 4.644 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC[C@H](F)C1 1967774495 DFSJENHYUMNMGD-XHSDSOJGSA-N 257.437 4.853 30 10 CJEE C=CC1(CCc2cc(F)ccc2Br)CCC1 1980005608 NHBHUQMSNPQFOL-UHFFFAOYSA-N 283.184 4.877 30 10 CJEE CC[C@](C#N)(Cc1cccc(F)c1Cl)C(C)C 2012414564 YCKGWJIHKVUIKF-CQSZACIVSA-N 253.748 4.598 30 10 CJEE CCCCCCCN(C)c1cc(C)c(Br)cn1 2019938601 NLFZQZLLKTZKKH-UHFFFAOYSA-N 299.256 4.559 30 10 CJEE Cc1cc(Cl)ccc1C[C@@]1(C#N)CCCC[C@@H]1C 2027582937 FFNSESXSXUNOPY-XJKSGUPXSA-N 261.796 4.911 30 10 CJEE CCCCCCC[C@@H](O)C1(C(F)(F)F)CCCC1 2027674997 NYJITPJNBYEFIT-GFCCVEGCSA-N 266.347 4.831 30 10 CJEE CC[C@H]1CCCC[C@H]1C1(C#N)C[C@@H]2CC[C@H](C1)S2 2029271678 GUSWGAUIIGZXNV-FIZKIRAISA-N 263.450 4.771 30 10 CJEE CC(C)(CC(F)F)CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2029281771 WAUQAKDCRPGRKF-BVUQATHDSA-N 273.392 4.626 30 10 CJEE CC(C)C[C@H](C)[C@H](C)Nc1ccc(C#N)cc1Cl 2036389329 NKAORSIHUQNHEX-RYUDHWBXSA-N 264.800 4.694 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2csc(Cl)c2)CC1 2036898214 VLOKAYZRWXRNEO-LBPRGKRZSA-N 283.824 4.545 30 10 CJEE C=C1CCC(N[C@@H](CC)c2cccc(Cl)c2)CC1 2039689363 CGDRVSGOHCFIED-INIZCTEOSA-N 263.812 4.880 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)C1CCCCCC1 2040524720 DYRCVXIHWPGDFM-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CN 2040533925 OFWYKJSJNDYCCW-VGWMRTNUSA-N 251.458 4.626 30 10 CJEE CCCCCCCCC(=O)c1ncoc1CCC 2042271390 BDNZOLKVNZIBCV-UHFFFAOYSA-N 251.370 4.560 30 10 CJEE CC[C@@H]1CCC[C@](C=O)([C@H]2CCCC(F)(F)C2)C1 2045379438 WJQNDNLZTGXXBY-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(C(F)(F)F)cs1 2045805473 HOBMZASFOZCGHP-NSHDSACASA-N 277.355 4.774 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1[C@H]2CCCC[C@H]21 2048362394 FIXZEWOPJZTVSD-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C2CC(C(C)(C)C)C2)C1 2048585370 JJVWYUGONGLNPR-ARAOSMHQSA-N 250.426 4.844 30 10 CJEE C=CC1(C[C@@]2(O)CCC[C@H](CCC)CC2)CCC1 2049033430 RTPSOHGKRYBGPA-DOTOQJQBSA-N 250.426 4.844 30 10 CJEE C[C@@H](CCS)CCN(C)C1CCCCCCCC1 2049784568 NRMIHUTWEFHOEQ-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CC1(C)C[C@@H]1CCC[C@]1(C=O)CCCCC1(C)C 2053403427 IVPCWUQFRSMODU-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE C=CCCCC[C@@H](CSc1ccccc1Cl)NC 2059112567 VDGJTYAPRBWMIL-ZDUSSCGKSA-N 283.868 4.767 30 10 CJEE C=CCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1NC 2059116935 DOIMFLHDJGQJMT-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CCCCCC(=O)[C@@H]1CC12CCC(F)(F)CC2 2059117021 AFCLAOKBVJGOAE-LBPRGKRZSA-N 256.336 4.518 30 10 CJEE C=C(F)C[C@H](NCCC)c1cscc1C(F)(F)F 2062214417 MXWXVTSOUMBZDB-NSHDSACASA-N 281.318 4.681 30 10 CJEE N#Cc1ccc(N)cc1-c1c(Cl)cc(Cl)cc1Cl 2067300160 QSGWICGCQTXHNN-UHFFFAOYSA-N 297.572 4.768 30 10 CJEE C#Cc1cc(C(C)C)nn1[C@@H](c1ccc(C)cc1)C(C)C 2070079371 MZVGWNUUXYBMPN-LJQANCHMSA-N 280.415 4.542 30 10 CJEE C[C@@H]1C[C@@]1(C)CC1(C=O)CC(C)(C)CC(C)(C)C1 2070767005 NHCZXZZSQAPWCP-CJNGLKHVSA-N 250.426 4.844 30 10 CJEE CC#CCCC[C@H](NCC)c1ccc(Cl)cc1Cl 2073672319 QHWUIALJHCQFMK-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE C=CCC[C@@H](C)c1cccc(OCC(F)(F)F)c1 2073823600 CBTQPGWMASSJOP-LLVKDONJSA-N 258.283 4.697 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 2074982174 QHQZCGOGSPWYBM-LBPRGKRZSA-N 284.230 4.782 30 10 CJEE CC#CCCCC[C@H](NCCC)c1sccc1F 2075371531 YUSAJVQNEYVTFZ-AWEZNQCLSA-N 267.413 4.512 30 10 CJEE CC(C)[C@H](CS)CO[C@@H]1CCC[C@H]2CCCC[C@@H]21 2081138841 YMNVOGAMZJYLGQ-FXUDXRNXSA-N 270.482 4.564 30 10 CJEE C=C(C)CN(CC)CC1CC(C)(C)CC(C)(C)C1 2083004404 UZYUMUHTUDENRQ-UHFFFAOYSA-N 251.458 4.737 30 10 CJEE CCCCCC#CCN[C@H](C)c1cc(C)sc1C 2083411301 POEIOFOBDDSGON-CQSZACIVSA-N 263.450 4.599 30 10 CJEE C=CCCCCCCCC[C@]1(N)CC[C@@H](C)SC1 2086259195 MIHHABJITYVJTG-CVEARBPZSA-N 269.498 4.906 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2ccccc2C(C)C)C1 2087707673 OYUMLRQJSDPOHF-QAPCUYQASA-N 258.405 4.748 30 10 CJEE N#C[C@]1(C[C@@H]2CSc3ccccc32)CCC(F)(F)C1 2090839271 HZCIUHUVLVUXKU-RISCZKNCSA-N 279.355 4.595 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@](C)(O)CCCC 2092183719 VOEXBTKIPBJWSG-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@](C)(O)CCC 2092209642 CXJNATBRULBYHP-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CN(Cc1cc(Cl)cs1)C[C@H](C#N)C1CCCCC1 2094000692 XEIMOPOBIBAJGF-ZDUSSCGKSA-N 296.867 4.553 30 10 CJEE C=C1CCC(C[C@@H](N)C2(CC(F)(F)F)CCC2)CC1 2095620660 KFNVIMDPRTWBBQ-CYBMUJFWSA-N 275.358 4.573 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C)c(O)c(C)c1 2098336051 SDPGBIIOVLETTK-MRXNPFEDSA-N 263.425 4.759 30 10 CJEE CC1(C)CCC[C@@](C=O)(CCCOC2CCC2)CC1 2100866245 CSMJFBFUYIYJHP-QGZVFWFLSA-N 266.425 4.511 30 10 CJEE C=C1C[C@H]1CC1(CNC(C)(C)C)CCC(C)(C)CC1 2102471198 OBRFAUOTOFJVQX-HNNXBMFYSA-N 263.469 4.927 30 10 CJEE C=C1C[C@H]1CC1(CNC2CC2)CCC(CCC)CC1 2102477953 VPSVXYSTXLEMQB-PQUAAJSLSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[C@@H](CCC1CC(OC)C1)NC 2104628877 MNTXLZZGBFHVFX-CGZBRXJRSA-N 269.473 4.530 30 10 CJEE C=CCC1(NCc2cc(C(F)(F)F)cs2)CCCC1 2104939751 YTYGYURLTJSBSL-UHFFFAOYSA-N 289.366 4.745 30 10 CJEE CCCC[C@](C#N)(CC)[C@@]1(O)C[C@H](C)CC(C)(C)C1 2108213176 JHARQHJMJZBXOF-HYVNUMGLSA-N 265.441 4.674 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@]1(C#N)CCC12CCC2 2110494354 GLCOHVOHWFMWSI-XSWJXKHESA-N 257.421 4.923 30 10 CJEE C=CCC[C@@H](C)Nc1nc(Cl)nc2sc(CC)cc12 2110800523 UKWJUMWLKRYERB-SECBINFHSA-N 295.839 4.674 30 10 CJEE C=CC1(C[C@H](NCCC)[C@]23CCCC[C@H]2C3)CCC1 2111708321 MCABWAONDJPECM-BQFCYCMXSA-N 261.453 4.681 30 10 CJEE C=CC1(C[C@H](NC)c2cc3c(s2)CCSC3)CCC1 2111711735 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281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@@H]1CCCC(C)(C)C1 2293139326 QUNJVDFMZAOSBE-BBWFWOEESA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@H](OCCCN)C1CC(C(C)C)C1 2293565192 ZNMYRVLMDLRSEN-ABHNRTSZSA-N 283.500 4.763 30 10 CJEE CCCCCCCC1(OCCCN)C[C@@H]2CCC[C@H]2C1 2293682798 FBOHDLXUBHGNAQ-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](CNCC)Cc1c(C)c(C)c(C)c(C)c1C 2294726570 GTKZNMOTLNTNBN-SFHVURJKSA-N 273.464 4.573 30 10 CJEE C=C1CC([C@@H](N)c2ccc3oc4ccccc4c3c2)C1 2295799757 PMKNWENGCHLIST-SFHVURJKSA-N 263.340 4.552 30 10 CJEE CCCC(CS)(CCC)COC(C)(C)C(C)C 2300517486 JLYHCZZCXSAZLA-UHFFFAOYSA-N 260.487 4.954 30 10 CJEE CC1=C(C)C[C@@H](COCCCCCCS)CC1 2303581680 DDACWFGKMZCWMM-HNNXBMFYSA-N 256.455 4.630 30 10 CJEE C=C([C@H](N)c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2307613556 NBEPJGUJJXEXTC-ZDUSSCGKSA-N 272.219 4.904 30 10 CJEE CC(C)C[C@@H](CS)COc1c(Cl)cccc1Cl 2308060104 MGLXVGTWMWVBIR-SNVBAGLBSA-N 293.259 4.964 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1C[C@H]2CC[C@@H]1C2 2313168893 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CC1(C)CCC(C#N)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 2329748864 IRWZKJWXBMZYJI-XQQFMLRXSA-N 267.363 4.778 30 10 CJEE C[C@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2332784239 OWMRTNQDKXAYCT-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE C=CC[C@@H](C)SCc1ccc([C@@H](C)NCCC)cc1 2335103325 KJFYKFNDOIRURS-HUUCEWRRSA-N 277.477 4.945 30 10 CJEE C=CCC(CC=C)Oc1cccc(SCC)c1C#N 2335114272 QZZWGXXSZRWREV-UHFFFAOYSA-N 273.401 4.570 30 10 CJEE CCCCCCC[C@@H](NC)c1ccncc1C(C)C 2338616897 WXGPUAQPTMLSOL-QGZVFWFLSA-N 262.441 4.826 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCCC(C)(C)C1 2338731089 XHXAIMKFZPPWIS-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1nc(C)sc1C 2338741506 OATSJLAWPVZODL-INIZCTEOSA-N 278.465 4.569 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(C(F)(F)F)CCC1)NC 2344339172 GVPBCXKHUJZKCL-QWHCGFSZSA-N 277.374 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(C2CC2)c1 2344347612 CRDBLMLGXLJQNT-MSOLQXFVSA-N 257.421 4.817 30 10 CJEE C=CCC(C)(C)[C@H](CC1[C@@H]2CCCC[C@@H]12)NCCC 2344372102 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86914931 KNSMSBFVYCUBKA-KRWDZBQOSA-N 262.441 4.551 30 10 CJEE CC(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)CC1 86922674 SRHZJQMQFPWZAE-CVEARBPZSA-N 256.393 4.575 30 10 CJEE Cc1cc(C)c(COc2c(C)cc(C#N)cc2C)c(C)c1 88154782 ZKSDSEHNVPXQSF-UHFFFAOYSA-N 279.383 4.679 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1C#N 88513319 CFZVGCDDVUEVOS-FZMZJTMJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCC1(O)CCC(NCC)CC1 91365727 KFOQRYAPDKFFCM-UHFFFAOYSA-N 283.500 4.800 30 10 CJEE Cc1cscc1-c1nc2cc(C#N)ccc2n1CC(C)C 94249419 IYCVAKKHZKJZPI-UHFFFAOYSA-N 295.411 4.601 30 10 CJEE CN(CC1(CS)CCCCCC1)C1CCCCC1 94578157 LUVMZJQKNNHUFQ-UHFFFAOYSA-N 269.498 4.521 30 10 CJEE CC(C)CCN(C[C@@]1(C=O)CCC[C@@H](C)C1)C1CCCC1 94851960 DHDGKEXPGHOOMD-IEBWSBKVSA-N 293.495 4.673 30 10 CJEE CC(C)c1nc(CSC2CCCCC2)sc1C#N 98113798 NQBUYGDGTWBJQA-UHFFFAOYSA-N 280.462 4.704 30 10 CJEE Cc1ccc(F)c(N/C=C\C(=O)c2ccc(C)c(C)c2)c1 103030849 DCHRODBSOQVNFJ-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCC[C@@](C)(N)c1nc(C(C)C)cs1 104438242 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CCCCCCCCN1CCCCC[C@H]1CC(C)=O 122456946 KDOWFOZMNSMEHS-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE CCCCCCCCCCC(=O)c1cc(OC)ccc1N 123760398 BXBHNHIOSFVHAR-UHFFFAOYSA-N 291.435 4.991 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)CCO[C@@H]1C 125445312 VSDFVVIWXWWGPZ-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(Nc2cccc(F)c2)C1 129801986 RDFZWDRAZGFWQW-UHFFFAOYSA-N 274.383 4.736 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCCO1)NCCC 134573669 DOMOLJODCFBUAA-DLBZAZTESA-N 269.473 4.674 30 10 CJEE FC1=C(F)[C@@]2(F)C(F)(F)C(F)=C(F)[C@]2(F)C(F)=C1F 138861901 GFZNBPMSRVLSRB-SFYZADRCSA-N 298.079 4.517 30 10 CJEE CCCCCCCCC[C@@H](N)c1cccc2c1OCCO2 139447063 WCZXCOCIZRIEAW-MRXNPFEDSA-N 291.435 4.598 30 10 CJEE CCCCCCCCCCC1(CN)C[C@@H]2C[C@H]2C1 157341496 URVVKXJDILZXGF-HOTGVXAUSA-N 251.458 4.892 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(F)cc(Cl)c1 161089606 FBECHWNKZWBDDU-CQSZACIVSA-N 295.144 4.809 30 10 CJEE N#Cc1ccc(Sc2cccs2)c(Br)c1 213483791 ZARVGJNJAZKWNN-UHFFFAOYSA-N 296.214 4.533 30 10 CJEE CCc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 216686740 NMXQZOXEJCRWLQ-FLIBITNWSA-N 270.759 4.799 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(CCC)CCNC1 226353564 IPURFWFRFJIFDY-SFHVURJKSA-N 281.484 4.866 30 10 CJEE CCCCCCCCCCCCN(C)CCCCCN 227158102 IOBNUVWQPZZGGI-UHFFFAOYSA-N 284.532 4.968 30 10 CJEE CCC(CC)[C@@H](C)Nc1cc(Br)cc(C#N)c1 227618841 OQVKPAXUDOSJSR-SNVBAGLBSA-N 295.224 4.557 30 10 CJEE CCCCCCC[C@H](NC)c1cccc2cccnc12 228947399 NBESASFHMCJPST-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC1(CS)CCCC1)C2 229001947 FOZWVDPPFKFQPE-DZKIICNBSA-N 282.493 4.708 30 10 CJEE COC(C)(C)CCC1(C#N)CCC(C(C)(C)C)CC1 230917434 IYXLBNZKIFGQPN-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CCCCCC[C@@H]1CCCCC[C@H]1CNCC 233523084 JUWIKSDGYNLHFT-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CSc2ccccc21 234432859 WGNPHSDINJKEAW-HOTGVXAUSA-N 275.461 4.600 30 10 CJEE C=CCCCCC[C@@H](O)c1ccccc1SC 235061285 PYQABCULLRQTNT-CQSZACIVSA-N 250.407 4.578 30 10 CJEE C=CCCCCCN[C@@H](C)C12CC3CC(CC(C3)C1)C2 235510784 MSTFIRBGQBEQHB-OPRRPXDXSA-N 275.480 4.927 30 10 CJEE C=C(Cl)Cc1c(Cl)cc(Cl)cc1Cl 238541145 OMDOWUSYYOSTLA-UHFFFAOYSA-N 255.959 4.942 30 10 CJEE CC[C@@H]1CCCN([C@@H]2C[C@H](C(C)(C)CC)CC[C@H]2C#N)C1 252407176 HFDCRZPFUAYLKU-XMTFNYHQSA-N 290.495 4.853 30 10 CJEE C[C@@H](CC#N)c1csc2cccc(Br)c12 260170156 WTVKDUVOFUJADB-QMMMGPOBSA-N 280.190 4.681 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccccc1SC 312308580 WKSAIOZTNUDIMY-INIZCTEOSA-N 289.488 4.889 30 10 CJEE Cc1ccc(C)c([C@@H](C)Nc2cccc(CC#N)c2)c1 313442276 WILNJZQZAGNSKC-OAHLLOKOSA-N 264.372 4.543 30 10 CJEE CCCCCCCCC[C@H](CNC(C)(C)C)OC 315920720 FIKPVYHVVQVXGU-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C=O)CCOc2ccccc21 316657040 RVLBWMKMTYKEQR-MAUKXSAKSA-N 274.404 4.512 30 10 CJEE C=C[C@H](C)C1(CNCC(C)C)CCC(CC)CC1 318144456 DINQNFOXLPGKBR-GTPINHCMSA-N 251.458 4.641 30 10 CJEE C[C@H](C1CCCCC1)[C@@H](C#N)Nc1ccccc1Cl 381889301 PVFKXAAGZGJDME-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE Cc1ccc(Nc2cccc(C)c2Cl)c(C#N)c1 385390629 ZZUJLJNNRRFGPR-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC1CCC2(CC1)CS/C(=N/CC1CCCCCC1)N2 389583219 MHHZWQYQIYSSCT-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE N#CCc1c(Cl)c(C(F)F)cc2ccsc12 396183722 AKIOQZXTQFSOPM-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)N[C@H](c1ccc(F)cc1)C1CC1 398155798 GGRHFQHKGCMLDF-DYVFJYSZSA-N 261.384 4.611 30 10 CJEE C[C@@H]1CCC[C@@H](SCc2ccc(CC#N)cc2)C1 399129460 MKADCCLOLZQQFQ-CZUORRHYSA-N 259.418 4.565 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CCc1ccccc1 466264668 FQAALCHVUFTADT-MJGOQNOKSA-N 299.458 4.603 30 10 CJEE COc1cc2c(C3=CC[C@@H](C#N)CC3)c[nH]c2cc1Cl 527403677 WSLZWXUBLQLAOV-SNVBAGLBSA-N 286.762 4.537 30 10 CJEE CC(C)(C)c1cccc(C(=O)/C=C\c2ccccc2)c1 575357702 MMQPHIXIEHAWNK-SEYXRHQNSA-N 264.368 4.880 30 10 CJEE C#CCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 686680833 AYBACCFYNFGFLH-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE C#CCCCCC[C@H]1CCCC[C@H]1CNC(C)(C)C 686693457 SSRZRAJBZQRBRW-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE C[C@H](CC1CCCCC1)Nc1ccc(C#N)cc1Cl 689779062 UAZDKRHTBODZAI-GFCCVEGCSA-N 276.811 4.982 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCCCC[C@@H]2C(C)C)c1 691140557 ZLCPUHIDIWRBLV-MSOLQXFVSA-N 270.420 4.884 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 691156004 KPDUADKTCIQSBT-RHSMWYFYSA-N 270.420 4.868 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCC12CCCCC2 693840284 LVFRRXLBFFKBBT-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CC[C@H]1CC[C@](C=O)(CC(C)(C)CC(F)(F)F)C1 694127596 NYVHQBFWYWAYFH-WCQYABFASA-N 264.331 4.751 30 10 CJEE N#Cc1c(Cl)cccc1NC[C@H]1CCCC2(CC2)C1 695757625 QYLRWVFARALHTL-LBPRGKRZSA-N 274.795 4.594 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H]1CCCC2(CC2)C1 696002386 NEJRDCZZASZTCD-DLBZAZTESA-N 280.500 4.929 30 10 CJEE C=CCCSCCN[C@@H](CC)c1cccc(Cl)c1 696017629 HLSVEXMPHCFNBT-HNNXBMFYSA-N 283.868 4.690 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@@H](C)C[C@@H]3C)C[C@@H](C1)C2 697294407 CDAHJNDVZAOPTI-YDMHEIDXSA-N 261.453 4.536 30 10 CJEE C[C@@H]1CC=C(C(=O)c2cccc(C(F)F)c2)CC1 701248286 KGMFGFZXFPOCFV-SNVBAGLBSA-N 250.288 4.553 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1ccc(CCC)cc1 701872879 UTCKHXXQGABOBR-OAHLLOKOSA-N 259.437 4.892 30 10 CJEE CCCCCCCCCC[C@](C)(N)CCCOC 704826002 TWGDNPJQLLNFHF-INIZCTEOSA-N 257.462 4.661 30 10 CJEE N#Cc1ccnc(Oc2cccc3sccc23)c1Cl 705101922 AWMDCUDLYLAQGR-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H](C)C(F)(F)F 705484083 IZNMJQUBTGYRTR-NEPJUHHUSA-N 254.336 4.686 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CC(C)(C)C 709140547 GBUCQCPDODUKJP-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C[C@H](N(C)c1ccc(C#N)c(Cl)c1)[C@@]12CCCC[C@@H]1C2 709270000 UGFAKWHCRBOYEF-QEORTHHSSA-N 288.822 4.617 30 10 CJEE CCC(CC)[C@@H](C)/N=C1/NC2(CCCCCC2)CS1 713180062 IZQOLVLBKBXHFR-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE CCCCCCCC[C@H](NC)C1(C)CC(F)(F)C1 720486139 XNUAFEMGSCVJBO-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE C=C1CCC(C[C@H](NCC)C(C)(C)C(F)(F)F)CC1 724610385 FVRSHEJYPJYLQN-ZDUSSCGKSA-N 277.374 4.690 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 1125592055 ZBRVATMEBBOLCW-HXUWFJFHSA-N 299.458 4.809 30 10 CJEE C=CC[C@H](C(=O)NCC(C)(C)CC(C)C)c1ccccc1 1126780468 WSPNWTYAOUQRCA-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=C(CC)CSc1nccn1-c1ccc(C)cc1C 1165239089 PVQSLBBQEDJLPE-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE COC[C@H](S[C@@H](C#N)C1CCCCC1)c1ccccc1 1190209740 HVFVVNZMTZEVHM-IRXDYDNUSA-N 289.444 4.580 30 10 CJEE C=C(CC)CN[C@H]1CCC[C@@H]1c1ccccc1Cl 1206286550 LZLNGXIPFJVUDL-ZBFHGGJFSA-N 263.812 4.532 30 10 CJEE C=CCCCC[C@H](C)NC[C@@H]1C[C@H]1Cc1ccccc1 1207806858 YYSVOYWIRGFHIH-UHOSZYNNSA-N 271.448 4.590 30 10 CJEE C=CCC1(C(=O)N[C@H](C)C2CCCCCC2)CCCC1 1268837483 VOXIUXZWIRGNME-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)CC1CCCC1 1275698331 GRJKSTLKPHDOTK-APWZRJJASA-N 299.458 4.506 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@H]1CCCC1(C)C 1308875173 ZDSFJHXMTFPFLQ-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)C1CCCCC1 1354025898 NUCCUFNKXFRXPZ-QGZVFWFLSA-N 299.458 4.808 30 10 CJEE C=CCCN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 1459556027 NKDJNKRLFPTQKX-INIZCTEOSA-N 265.400 4.923 30 10 CJEE C#CCCCCCCN(C)Cc1ccc2ccccc2c1 1462017401 HNMSOPJLNBIRKT-UHFFFAOYSA-N 279.427 4.855 30 10 CJEE C=C(C)c1cccc(NCc2c(O)cccc2Cl)c1 1474291361 OYAGUXXJUKTYLE-UHFFFAOYSA-N 273.763 4.691 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1 1474729448 FGYJKCLVXHBUIL-SMDDNHRTSA-N 251.320 4.781 30 10 CJEE C=C[C@H](CC(=O)N(C)c1cccc(CC)c1)c1ccccc1 1528153422 QXAGJNCJTWVGDB-QGZVFWFLSA-N 293.410 4.572 30 10 CJEE C=CCCCCCN(C)C(=O)C(C)(C)C1CCCCC1 1530309100 JSOLLKPLKWWIJU-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cc(C2CC2)oc1C1CC1 1537213000 DBRFFCQMYGCICO-HNNXBMFYSA-N 299.414 4.605 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccccc1)C1CCCC1 1537754395 NFSIXPALPNJIOF-OAHLLOKOSA-N 271.404 4.565 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)/C(C)=C\C1CCC(C)CC1 1539319960 OCSNBMNLNJZMMB-MRTXWGHDSA-N 289.463 4.716 30 10 CJEE C=CCCCCNC(=O)c1ccc(-c2cccs2)s1 1539483812 PCSWRZOSDKYTLP-UHFFFAOYSA-N 291.441 4.563 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 1543285585 YPTHKAMFKNRSCV-BBRMVZONSA-N 291.822 4.606 30 10 CJEE C=CCN(CCc1ccco1)[C@@H](C)c1c(C)cc(C)cc1C 1559689646 TYIMQUWVLLQOEZ-SFHVURJKSA-N 297.442 4.997 30 10 CJEE C=CCCN[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1559831713 BEXCYJGNBNBDGU-IAGOWNOFSA-N 277.839 4.922 30 10 CJEE C=CCCCCN(CCc1ccccc1F)[C@H](C)CC 1644445560 NQYPRUVOEILOOC-MRXNPFEDSA-N 277.427 4.825 30 10 CJEE C#CCN(Cc1ccc(CC(C)C)cc1)C1CCCCC1 1644483014 WBQBBYMAQANEMG-UHFFFAOYSA-N 283.459 4.653 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCN(C)[C@H](C)C1 1652649127 GPQGYICFYSUSHD-QZTJIDSGSA-N 282.516 4.542 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@@H]1SC)c1ccccc1 1653028818 SOBGNOPJLRBGQA-BBWFWOEESA-N 275.461 4.568 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCC[C@H](C)CCC 1654214889 CRNGTFIUXGEWIW-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C#CCCCCCCSc1ncc(C(C)(C)C)o1 1656378152 GYHZDFFPGWAGRN-UHFFFAOYSA-N 265.422 4.648 30 10 CJEE C=C(CC)CN[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1657990558 VZYKEMXNELXTEN-INIZCTEOSA-N 295.854 4.992 30 10 CJEE C=CCN(Cc1cccs1)C[C@H](C)c1ccc(F)cc1 1658701507 LAGSILWGMXWWJI-AWEZNQCLSA-N 289.419 4.679 30 10 CJEE C#CCCCCCCNCc1cc(Cl)cc(Cl)c1 1660253479 IYFQDSNYDDZYHP-UHFFFAOYSA-N 284.230 4.667 30 10 CJEE C=CCCC(C)(C)NCc1cc(Cl)ccc1OCC 1662937674 VLYWSDKKDDWNPB-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N(C)C[C@H](C)C1CCCCC1 1680750728 OJMVTSHYWRUIGA-JKSUJKDBSA-N 294.483 4.589 30 10 CJEE CCCCCCCCn1cc(OCCCC)c(=O)cc1C 1870083562 QTFVBUZSGDYITF-UHFFFAOYSA-N 293.451 4.696 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H](C)C(F)(F)F)NN 1876105240 USECUGGCZMWKJJ-OLZOCXBDSA-N 282.394 4.548 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@H](CC(C)(C)C)CS1 1879336547 NMLOIYORWGUMCR-UONOGXRCSA-N 284.513 4.843 30 10 CJEE C=C1CCC(CN2CCC[C@@H](C(C)(C)C)CC2)CC1 1884407737 PZUZRGFCXQAWJU-QGZVFWFLSA-N 263.469 4.881 30 10 CJEE CCCCCCCN(C)C[C@@H]1CSc2ccccc21 1887061061 NMUVAHFEDUDSQQ-OAHLLOKOSA-N 277.477 4.778 30 10 CJEE Cc1cccc(F)c1C(=O)C1=CC[C@@H](C(C)C)CC1 1887119819 NVDVHRMAEPXWKU-CYBMUJFWSA-N 260.352 4.699 30 10 CJEE CC(C)=CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 1888342055 ZGGONPBHAVKWMY-QGZVFWFLSA-N 294.439 4.661 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(C)cc(OC)c1 1893849544 JTBKJRMKXCQJBR-QGZVFWFLSA-N 263.425 4.754 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc2ccncc12 1919516076 STKCSLOBDISFDG-SFHVURJKSA-N 270.420 4.769 30 10 CJEE C=CCOc1ccc([C@@H](O)CC2(C)CCCCC2)cc1 1920031147 SQJJDWNLGCZZDR-KRWDZBQOSA-N 274.404 4.645 30 10 CJEE CCCCCCC[C@H](N)[C@@](C)(O)CCCCCCC 1920343541 UHAXAWKBLOLSAF-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE C[C@@](O)(c1ccc(F)c(Cl)c1)C1(C#N)CCCCCC1 1921064544 SUYHLUVNXUCMNV-OAHLLOKOSA-N 295.785 4.551 30 10 CJEE N#C[C@]1(CCCOC2CCCC2)CCCC12CCC2 1921616681 PKQXLSDLOGLIIB-QGZVFWFLSA-N 261.409 4.590 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC[C@H]1N(C)C 1921736667 BXPZUFQMVZFZPF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(C)ccc1Cl 1925534106 ONZPQYOIMLHHFO-INIZCTEOSA-N 277.839 4.739 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C=CCCCC1)NN 1925761353 RWBPMQHUUGJLGI-SJORKVTESA-N 266.473 4.705 30 10 CJEE CC(C)[C@H](C#N)Sc1cc(Cl)cc(Cl)c1 1928807247 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251.801 4.737 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc3sccc3s2)CC1 2010610327 WBGRUBJVPBPZQP-VIFPVBQESA-N 262.399 4.892 30 10 CJEE C=CCCCCCC[C@@H](CSCCC)NCC 2026019833 RDWRWYMLNQFDOB-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C=CCCCCCCC(=O)CC1(CSC)CC1 2026019871 RMAZJNMVFYTPCV-UHFFFAOYSA-N 254.439 4.615 30 10 CJEE C=CCCCCCCN(C)Cc1sccc1C 2026022321 SVQNYLWHXXPLCK-UHFFFAOYSA-N 251.439 4.625 30 10 CJEE C=CCCCCC[C@@H](N)C1(C(F)(F)F)CCCC1 2027676182 GKOLRWFYAUCCFB-GFCCVEGCSA-N 263.347 4.573 30 10 CJEE CCCCCCC[C@@]1(O)CCCC[C@H]1C(F)(F)F 2028072953 DSKQAAMESPPFSW-CHWSQXEVSA-N 266.347 4.831 30 10 CJEE N#CC1(CCC2=CCCCC2)C[C@@H]2CC[C@H](C1)S2 2029273481 GLZFFDQFKMEWIG-XYPWUTKMSA-N 261.434 4.835 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)c1cccc2ccsc12 2040851259 SCMSKSPYIKUJLN-DZGCQCFKSA-N 257.402 4.518 30 10 CJEE CCCCCCCCCC[C@H](NC)C1[C@H]2CC[C@H]12 2041998230 UPLMCZSPWCAVQT-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cccc(C(F)F)c1 2045776201 SMTQWBYONXDRRK-ZDUSSCGKSA-N 273.754 4.808 30 10 CJEE 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C=CCC(C)(C)[C@H](N)c1cc(Cl)c(Cl)cc1C 2304051453 GPUIGTOVAHRKBM-CYBMUJFWSA-N 272.219 4.904 30 10 CJEE CC(C)C[C@H](CS)COc1cc(Cl)ccc1Cl 2308054014 RCAORXVJJOYGLR-JTQLQIEISA-N 293.259 4.964 30 10 CJEE C=CCC(CC=C)SCCCCC(C)(C)C(=O)O 2313527650 UUVACVDGOOBEGA-UHFFFAOYSA-N 270.438 4.522 30 10 CJEE CC1CCC(CSc2ccc(F)cc2C#N)CC1 2313832623 QWRONTNRMRSBNF-UHFFFAOYSA-N 263.381 4.616 30 10 CJEE C=CCC(CC=C)C(=O)c1ccsc1C(F)(F)F 2316747203 OPORFBOFACILNV-UHFFFAOYSA-N 274.307 4.718 30 10 CJEE Cc1c(CC[C@@H]2CCC[C@H]3O[C@H]23)ccc(Cl)c1Cl 2316832465 LRMMKNVHCQQDQR-NJZAAPMLSA-N 285.214 4.802 30 10 CJEE N#CC1(C[C@H]2C[C@H]3CCC[C@H]2CC3)CCSCC1 2316880349 WWUVINFAJZOHAC-SOUVJXGZSA-N 263.450 4.630 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2320214219 WFGOVXXEBGIZCZ-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC(CC)C1)NCCC 2321113215 MNTUOCKLYUWZAT-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccccc1CSC 2321228449 MMEWWRIQHKJPAX-HOTGVXAUSA-N 264.434 4.575 30 10 CJEE Cc1cccc(OC[C@@](C)(CS)C(C)(C)C)c1C 2327100351 PZWLWXBWSOAJJN-INIZCTEOSA-N 266.450 4.664 30 10 CJEE C=CC1(C[C@H](C[C@@H]2CCC2(F)F)NCCC)CCC1 2335275837 WWWVOFOIFNCEAV-KBPBESRZSA-N 271.395 4.536 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(N)cc1F 2335974591 WABHEFNVFYWIMK-UHFFFAOYSA-N 263.356 4.507 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1nc(C)c(C(C)(C)C)s1 2337094050 LGPUCKKHODNBQY-STQMWFEESA-N 278.465 4.906 30 10 CJEE Cc1c(C[C@@]2(C#N)CCCOCC2)ccc(Cl)c1Cl 2338667240 RMTWRNFTDHPKPE-OAHLLOKOSA-N 298.213 4.555 30 10 CJEE C=CCC(CC=C)[C@H](C[C@@H](C)P(C)(C)=O)NCCC 2338733982 APYZLSMYMRZEQK-ZBFHGGJFSA-N 285.412 4.524 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@H]2CC[C@H]1C2 2338740097 BYWRVUUFKVOVOR-DKIMLUQUSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CCCC1(F)F 2338743556 GORFFUGDQYOAIM-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@@]2(C1)CC2(F)F 2338743595 GZWQQAQKYOAJPL-UKRRQHHQSA-N 268.347 4.540 30 10 CJEE O=C[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)C[C@H]2CC[C@H]1C2 2338903432 FPECFTPBNWMXSG-UGDFAFBOSA-N 260.421 4.598 30 10 CJEE CCCN[C@H](C#CC1CC1)c1ccc(Cl)c(Cl)c1C 2339015126 XPMXDDPYRBWOGP-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE CCSc1cccc(O[C@@H](C)[C@H](C)C(C)C)c1C#N 2339906276 WDZUTQHSNOENHC-OLZOCXBDSA-N 277.433 4.730 30 10 CJEE CCCCCCC[C@H](OCCN)[C@H](C)[C@H](C)C(C)C 2340208428 LEVWLZGVPDFTHW-ZACQAIPSSA-N 271.489 4.619 30 10 CJEE C[C@H]1CC=C(C(=O)c2cc(F)ccc2C2CC2)CC1 2341801818 JLSXMEBLCAMRLS-NSHDSACASA-N 258.336 4.632 30 10 CJEE C=C(C)C[C@H](Cc1cccc(C(F)F)c1)NCCC 2341918529 VMXHZMRQUYSZCO-OAHLLOKOSA-N 267.363 4.501 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCOCCC)NCCC 2344337114 OEAFXFCUIXUVID-IRXDYDNUSA-N 269.473 4.554 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CCC(F)CC1)NCC 2344344421 SAVQYCCRAZPVIQ-BACDZXNISA-N 269.448 4.875 30 10 CJEE C=CCC(C)(C)C(=O)C[C@@H]1CC12CCC(F)(F)CC2 2344374712 JXYRONRFWTZXMI-GFCCVEGCSA-N 270.363 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)c(C)cc1C 2344383585 JAZGCWCXYHNNDS-MSOLQXFVSA-N 259.437 4.865 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@H]1C[C@H]1C1CCCCCC1 2344464160 IQTHGRQEQGYVSD-IXDOHACOSA-N 264.453 4.946 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H](C)CCCC(C)C)NN 2344477664 WJDWKKFERGNFNB-CVEARBPZSA-N 268.489 4.663 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@@H]1C[C@H]1C1CCCC1 2352107523 OJIMTQAIYIRFGR-YQQAZPJKSA-N 284.509 4.812 30 10 CJEE CCC(C#N)(CC)Cc1cccc(CC(F)(F)F)c1 2353120509 WXJDINHGQWJPJO-UHFFFAOYSA-N 269.310 4.664 30 10 CJEE C=CCCCCCC(=O)c1cc(C(C)(F)F)ccn1 2353250310 APKVEIJJXGLEQU-UHFFFAOYSA-N 267.319 4.513 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(SC)c1)C1CCCC1 2353826827 IBWZWGNUSUSZRX-OAHLLOKOSA-N 274.433 4.661 30 10 CJEE C=CCCC(C)(C)CNc1ccc(C#N)c(SC)c1 2353831717 ULELSRADRYVWMT-UHFFFAOYSA-N 274.433 4.684 30 10 CJEE Cc1ccc(C#N)c(N[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1 2354886348 AYSKJYLLFUMNGN-ZVZYQTTQSA-N 268.404 4.638 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NN 2356208193 FYWRCTDQVKOXGJ-HZSPNIEDSA-N 294.405 4.548 30 10 CJEE SC[C@@H](COC[C@@H]1C[C@H]1C1CCCC1)c1ccccc1 2357870454 BDPKXJQAACKZTH-KSZLIROESA-N 290.472 4.543 30 10 CJEE C=CCCCCCCCC[C@@H](O)[C@]12CCC[C@H]1OCC2 2358322065 JTMZOAUOAFKRRX-KZNAEPCWSA-N 280.452 4.613 30 10 CJEE C=C(C)Cn1cnc(-c2ccccc2)c1-c1ccccc1 15978718 LORJAHUXCIWXLX-UHFFFAOYSA-N 274.367 4.793 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1 37938208 CPTGAMDYPLFYQT-CQSZACIVSA-N 277.154 4.670 30 10 CJEE Cc1ccc(N/N=C\c2cccc3ccccc23)cc1 40844414 ZGDIXMFUGVXLEP-UYRXBGFRSA-N 260.340 4.594 30 10 CJEE CCCCCCCOc1c(Cl)cc(Cl)cc1CO 59300154 BCMJGPGWZDCYJI-UHFFFAOYSA-N 291.218 4.835 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c([N+](=O)[O-])c1 59456531 GLWHNKNTEZHPMU-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE CCCCCCCCO[C@@H](C)C(=O)c1ccccc1 59526366 VHZLBESPCIPFCW-HNNXBMFYSA-N 262.393 4.635 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1ccccc1F 62790269 AMOFOJWTOPYPBN-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE N#Cc1ccc(Cl)cc1Sc1ccc(F)cc1 62790272 MEHAHQCUHAKICN-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(N2CCCC2)cc1 62996697 GXOPEUWENGSIBZ-UHFFFAOYSA-N 297.789 4.555 30 10 CJEE Cc1cccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c1 64438671 PWUJYUOTGDQDMK-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C#N 82424518 KWTUQYXKGMWLLE-UHFFFAOYSA-N 270.401 4.542 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(OC(F)(F)F)cc2)C1 87930331 JTCZMNQTIXGLMZ-WFASDCNBSA-N 297.320 4.848 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](CS)C(C)(C)C 94579642 QSYLOULRMTXSPJ-JSGCOSHPSA-N 299.911 4.925 30 10 CJEE CSc1ccc(C)cc1C(=O)/C=C/c1ccccc1 96887610 LZOXPZBXXOLOQY-MDZDMXLPSA-N 268.381 4.613 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(C)c(C)c1 104725909 OCVWLGRIASLHBZ-VBKFSLOCSA-N 279.383 4.810 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCCC)cc1CC 107661374 OVRFXKMKFZRHFI-HNNXBMFYSA-N 258.405 4.630 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1ncccn1 107680828 AVXKYTZCVLTNPF-MRXNPFEDSA-N 278.440 4.821 30 10 CJEE CCCCCCCCOC1(CNC2CC2)CCCCC1 110070437 PCBYFICKZABQFN-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE CCCCCCCn1nc(C)c([C@@H](CC)NCCC)c1C 110267842 YZQPVPYLBKZUMA-QGZVFWFLSA-N 293.499 4.921 30 10 CJEE CCCCCCCCCCn1cc(Cl)c([N+](=O)[O-])n1 112216322 JOKMWUMYCMCZNZ-UHFFFAOYSA-N 287.791 4.585 30 10 CJEE CCCCCCC[C@@]1(CN)CCCc2ccccc21 113025559 ONCGAIUKILHONJ-SFHVURJKSA-N 259.437 4.580 30 10 CJEE CC1(C)[C@@H](Nc2ccc(Cl)cc2C#N)[C@]2(C)CC[C@@H]1C2 113832886 SSXXXNPNRCRALQ-SRCQZFHVSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)N1CCCC1 118143281 YQTVHDUAZDKMPU-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE C[C@@H](Nc1c(F)cc(F)cc1Cl)c1cccc(C#N)c1 123977774 YEMDAWNCPKYASF-SECBINFHSA-N 292.716 4.663 30 10 CJEE C=C(C)CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC 125668839 LFPOVQPKLDQTLR-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 125795471 HIVWRZPSXLVURJ-MUGJNUQGSA-N 283.459 4.687 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](CCC)OCC 125967605 HUNVTNFWYBJIQL-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCCC[C@H](CC1CC1)NN 129921379 YZHIPFIWRGRYLT-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCCC[C@@H](CCC(C)(C)C)NN 131917003 PKGVPPBPSQRMOH-HNNXBMFYSA-N 256.478 4.785 30 10 CJEE C#CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 134002597 IZKCBGBOSOXWFE-AWEZNQCLSA-N 298.257 4.708 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccncc1)NC 139416707 MGGUEUUEBMRTIP-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCC[C@@H](C)N1CCC[C@H]([C@@H](C)CC(=O)O)C1 155920741 NSWIBYYJCUMGTR-BBWFWOEESA-N 297.483 4.558 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CNc2ccccc21 158022086 YXXUGMMZEBSPFQ-MRXNPFEDSA-N 273.420 4.906 30 10 CJEE CCCCCCCC[C@H](N)[C@H](OC)C1CCCCC1 158507716 VHYHVAXPLNURDH-DLBZAZTESA-N 269.473 4.660 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1CN 158887497 YUAIOQNSBFPWCU-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(OCC#N)cc1 159169069 JZBYOIRKDODBRE-MRXNPFEDSA-N 288.435 4.600 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC(C)(C)O1 160317196 XRNWMFIPRLSLHF-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=C(Cl)CN[C@@H](CCCCC)c1ccccc1 161003400 BGZCORWMEODKMU-HNNXBMFYSA-N 251.801 4.650 30 10 CJEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(F)c1 166466945 IUQQEGBLTZTDOL-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE C=C(CC)C[C@H](NCC)C1(OCC)CCC(C)(C)CC1 166715259 ARZQDOBEWJFSGQ-INIZCTEOSA-N 281.484 4.696 30 10 CJEE O=C(/C=C/c1ncc(-c2ccccc2)s1)c1cccs1 179728885 SLFGAGXLBMEHOC-CMDGGOBGSA-N 297.404 4.768 30 10 CJEE CCSc1cccc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 228893341 SQQWGEBOYCKOHE-HZSPNIEDSA-N 289.444 4.874 30 10 CJEE C=C(C)C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCC 229738453 AOZRHJDXRKRNJB-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C#C[C@@H](CCC)NC(=O)CCCCCCCCCCC 229953758 WKNXEGCSQAGNCM-KRWDZBQOSA-N 279.468 4.825 30 10 CJEE CC(C)Oc1ccc(C(=O)C2=CCCCCC2)cc1 232681207 IATVDUBPXMTQDO-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE C=CCCCCC[C@H]1CC(C)(C)CC[C@@H]1C(=O)O 232777852 SNMOPAOTKAIGOK-KBPBESRZSA-N 252.398 4.650 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](CCC)OCC 233124481 YIPWAZKKSDSHJH-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(Br)c1 236538124 ZGVKJFGQPRBHJT-AWEZNQCLSA-N 283.209 4.619 30 10 CJEE C=CCCCCC[C@H](O)[C@@H]1CCCC[C@H]1C(F)(F)F 300258002 RWLYIMCOZICROP-MCIONIFRSA-N 278.358 4.853 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300636574 SDPGZUCIEYADLS-KHHDSSOXSA-N 264.453 4.780 30 10 CJEE C=CCNc1nc(-c2ccc(C(C)C)cc2)cs1 310682947 LMKJIFDDLJDSMX-UHFFFAOYSA-N 258.390 4.531 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccsn1 311658081 FKRYDDMOKUVYCU-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc2c(n1)CCC2 312654935 ZCXZZOPKSDVBIV-MRXNPFEDSA-N 274.452 4.711 30 10 CJEE CSc1cccc(NCCCC(C)(C)C)c1C#N 313471411 LALPHWQJEVVHAL-UHFFFAOYSA-N 262.422 4.518 30 10 CJEE CC(C)C1CCC(C=O)(CCOCc2ccccc2)CC1 317600318 QFZZKLZFHZLIGB-UHFFFAOYSA-N 288.431 4.625 30 10 CJEE C=CCCCCC[C@@]1(CNCC(C)C)CCCS1 318457156 CNFFIUWLRJVURU-INIZCTEOSA-N 269.498 4.634 30 10 CJEE Clc1ccc(C#Cc2cccc(Br)c2)s1 383433392 VYVDNAGINCPHBN-UHFFFAOYSA-N 297.604 4.564 30 10 CJEE CCCCCCCCO[C@H]1CCNc2ccccc21 384429326 UZFYSCQUSBBFDB-KRWDZBQOSA-N 261.409 4.920 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@H](C)C1 387183304 OSHZJSWFLLWKQN-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H](O)C(C)(C)C)CC1 388650357 MEAGVYUGRZMDKT-XOYHFGRZSA-N 265.441 4.530 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccccc1OC(F)F 398061480 HNSBKPZOSXRCMU-QWHCGFSZSA-N 283.362 4.683 30 10 CJEE CC(C)[C@@]1(C)CSC(=Nc2ccccc2C(C)(C)C)N1 398601128 ZVZZINUFVBRFCX-QGZVFWFLSA-N 290.476 4.723 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc2cnsc12 402940324 MGYJBAPUODMQNL-OAHLLOKOSA-N 291.464 4.551 30 10 CJEE N#CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1F 514263233 RVWDMKSPQAIEKN-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE Cc1ncccc1/C=C\C(=O)c1cc2ccccc2s1 588535074 HEFAGXGXLOBBIK-HJWRWDBZSA-N 279.364 4.501 30 10 CJEE C#CCCCCCNc1cc(C(F)(F)F)ccc1C 686683186 MHKCCZPXLTXTIJ-UHFFFAOYSA-N 269.310 4.619 30 10 CJEE C#CCCCCCC(=O)C1CC(C)(C)CC(C)(C)C1 686695085 UOEXQPXGDUGIML-UHFFFAOYSA-N 262.437 4.992 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cnc2ccsc2c1 686697262 NQGKJKCTOLTGCP-OAHLLOKOSA-N 286.444 4.531 30 10 CJEE CCCCCCCC[C@H](O)C[C@H](C)CC(F)F 687860081 UCSDCNRFYKAPHX-STQMWFEESA-N 250.373 4.779 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCCC1 691100353 HOZATZYGOIBATG-AEFFLSMTSA-N 277.452 4.962 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1C2CC3CC(C2)CC1C3 692221797 SGCFQDCLAWNAES-PRLDQDABSA-N 273.464 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1snc2ccccc12 692226440 FCKPGYKYUHMUAS-TZMCWYRMSA-N 272.417 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C(F)F)cn1 692226731 IEXGTQJJDFIHNC-DGCLKSJQSA-N 266.335 4.566 30 10 CJEE CCCCCCCC[C@@H](NC)C(F)(F)C(F)(F)F 692614164 LHGVHAQGXPLSCE-SNVBAGLBSA-N 275.305 4.523 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CC4CCC3CC4)C[C@@H](C1)C2 697305136 SVRISYDISVZFRW-BDKMUTLJSA-N 273.464 4.537 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1N 698762238 DPPHEYIWBBGZAY-GVDBMIGSSA-N 269.473 4.517 30 10 CJEE C=CC[C@H]1CCCCN(c2cccc(Cl)c2[C@H](C)N)C1 703691070 QHZURILVPYBFCX-KBPBESRZSA-N 292.854 4.542 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CCCCC[C@@H]1C#N 703747405 BUUIMWPXQVMQAV-DUQPFJRNSA-N 276.468 4.509 30 10 CJEE Cc1cc(Nc2ccc(SC(F)F)cc2)ccc1C#N 709677171 BAUNTJJCWGYPAN-UHFFFAOYSA-N 290.338 4.925 30 10 CJEE CCCC[C@@H](CC)C[C@@]1(C#N)OCCc2ccccc21 710167299 NVBRJXLLXWRKGF-QAPCUYQASA-N 271.404 4.585 30 10 CJEE C=C(C)C[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 712606670 KGGHZJRDWPRNCT-LLVKDONJSA-N 277.717 4.586 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 715792544 CEWHRFVQOCNDJS-YVSFHVDLSA-N 251.458 4.641 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cscc1C(F)(F)F 717177749 LLDCQJQBVQMGTK-LLVKDONJSA-N 297.773 4.950 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc(C#N)c(Cl)c1 717555497 QQYNARKFEVNSDG-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@@H]1O 719211250 AKSJAXVJRUYSNT-JKSUJKDBSA-N 270.457 4.693 30 10 CJEE C=C1CCC(CN[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 724589059 NZFIBUHNINMSPV-RCCFBDPRSA-N 261.453 4.681 30 10 CJEE C=C1CCC(C[C@H](NC)C2CCC(SC)CC2)CC1 724602107 IQFKPHNPOVEPGS-JCYILVPMSA-N 281.509 4.633 30 10 CJEE C=C(C)CCS[C@@H](C)C(=O)Nc1c(C)cccc1Cl 865282201 PZDIVNLSRQVYSV-LBPRGKRZSA-N 297.851 4.675 30 10 CJEE 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292.423 4.996 30 10 CJEE CCCCCCCCn1c(N)nc2cc(Cl)ccc21 161088873 KMCWIEFVUVRQCA-UHFFFAOYSA-N 279.815 4.632 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1CCOC1)NCCC 166451274 QVAOMTPJZQIYKQ-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CC#CCC[C@H](NCCC)C1(OCC)CCC(C)(C)CC1 166720294 ASVVXIQGFBXALM-KRWDZBQOSA-N 293.495 4.534 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(C#N)cc2F)s1 168269853 ZBWPNOVDTRYCPH-UHFFFAOYSA-N 288.391 4.668 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1 201967954 YYIPXXIMBLUJOK-WDZFZDKYSA-N 263.300 4.833 30 10 CJEE C[C@H]1CCN(CCCCCCCCCS)[C@@H](C)C1 217861326 SUCPHYGGUKIFDP-HOTGVXAUSA-N 271.514 4.767 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC(C)C 219669010 SQQKYWBBYQMSEW-RCCFBDPRSA-N 265.485 4.887 30 10 CJEE N#Cc1cc(F)cc(Oc2cc(Cl)cc(Cl)c2)c1 227635125 MXALKCPCZGDKHB-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(F)cc1C#N 227968734 DOCQEEYWMZEWFJ-VMGRFDJRSA-N 274.383 4.570 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1CC 228155871 YVQNPLIHLLUKOT-ZNMIVQPWSA-N 289.554 4.562 30 10 CJEE C=CCC[C@H](C)N[C@H](CC)c1ccc(Br)cc1 228820233 VRDHJHXZZSOJBL-SWLSCSKDSA-N 296.252 4.845 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@@H](CC)C1 229719948 RWQFGWGCYNSPMZ-OALUTQOASA-N 296.543 4.837 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cccc(OCCC)c1 229754045 YHXSSVFVTYWFMU-GOSISDBHSA-N 275.436 4.872 30 10 CJEE C=CCCOCCNC1CCCCCCCCCCC1 231799357 LUIMBIOGKFRVQJ-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE CC(C)c1ccc(NCCCCC(C)(C)C#N)cc1 232761015 YUTPFIQQMSIIDG-UHFFFAOYSA-N 258.409 4.942 30 10 CJEE CCCCCCCCN[C@H](C)c1cccc(F)c1F 232938055 GPGQKYARYZWUEA-CYBMUJFWSA-N 269.379 4.976 30 10 CJEE N#Cc1ccc(-c2csc([C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 252820569 OPFSKBWGRVPNGR-AEGPPILISA-N 280.396 4.585 30 10 CJEE Cc1ccc2[nH]c3c(c2c1)CCCC3=Nc1ccccc1 254300980 XRSGZGGFBQVRJQ-UHFFFAOYSA-N 274.367 4.933 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H](CCC)CC(C)C 308062606 VVOPBHKJUYQXFK-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE C=C(C)C[C@@H](NCCC)c1c(C)cccc1Br 310500061 QVCYSJHHCGRJPK-CQSZACIVSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCn1cc([C@H](C)NCC)nc1C 312475780 VPESVMFMYLGNOE-HNNXBMFYSA-N 279.472 4.613 30 10 CJEE CCCCCCCCNCC[C@@H](CCC)CCC(=O)O 313006751 NSMZUFZGXVKKAV-INIZCTEOSA-N 285.472 4.608 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCCC2CCOCC2)C1 317342466 RRIZTRZSCRRFOT-AEFFLSMTSA-N 280.452 4.759 30 10 CJEE C=CCc1cccc(C(C)C)c1NCc1cnc(C)s1 352553695 LLQCJISYJOYLAF-UHFFFAOYSA-N 286.444 4.916 30 10 CJEE Cc1ccc(C(Cl)=NC(Cl)=C(Cl)Cl)cc1 382636072 OOODVXGWLKSZFG-UHFFFAOYSA-N 282.985 4.823 30 10 CJEE C=CC(C)(C)CN[C@H](CC)c1cccc(Cl)c1 385038525 MYZZKRDEELTDHA-CQSZACIVSA-N 251.801 4.593 30 10 CJEE Cc1ccc(Cl)c(N=C2N[C@H](C3CCCC3)CS2)c1 386343599 LWEDRJIOZUINDA-AWEZNQCLSA-N 294.851 4.531 30 10 CJEE C=C(CNc1cccc(C(F)F)c1)c1ccccc1 386458297 RXFQQZNTLCAJOP-UHFFFAOYSA-N 259.299 4.750 30 10 CJEE CCCCCCCCCc1cc([C@@H](N)C(C)C)on1 387592822 OTIBXZKDTFYKMO-INIZCTEOSA-N 266.429 4.624 30 10 CJEE CCCCCCCn1ccc(CNCCC)c1CC 388564541 DHNOSPYRQUFLHP-UHFFFAOYSA-N 264.457 4.521 30 10 CJEE CCC[C@@H](NC[C@H](C#N)C1CCCCC1)c1cccs1 397196775 NRCGMOHPAHVQLN-JKSUJKDBSA-N 290.476 4.899 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)cc(Cl)c1O 398148554 CMXNFPJKOYIEPS-SNVBAGLBSA-N 288.218 4.533 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cc(C)ccc21 398293028 ARIBSHGNWIQODN-GFCCVEGCSA-N 260.406 4.551 30 10 CJEE CC(C)(C)[C@@H](C#N)CSc1nccc2ccccc12 401445089 ICWQZRXZFVMFIC-ZDUSSCGKSA-N 270.401 4.513 30 10 CJEE C[C@@](C#N)(Cc1ccc(F)cc1Cl)c1ccccc1 405560896 ACLOJEZGQAZUSX-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)Cc1c(CC)oc2ccccc12 464542745 JGDNLVICBBGENW-AWEZNQCLSA-N 299.414 4.556 30 10 CJEE CC[C@@H](C)C[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316606 VACPRZHUZAZMEY-KGLIPLIRSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1C[C@@H]1OC 689928093 LCKUZZVHECYMRY-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692226979 MTLCEJHVGNIHTF-QLCXLMDBSA-N 275.480 4.926 30 10 CJEE N#Cc1cc(Cl)ccc1NCCCCc1ccccc1 695696390 MEMCMGOLKFGBDO-UHFFFAOYSA-N 284.790 4.646 30 10 CJEE CC1(C)CCC(C)(C)C1Nc1ccc(Cl)c(C#N)c1 699562678 DIWKTBOKGWLYLS-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CC(C)[C@H]1CN/C(=N/CC2CC(C)(C)CC(C)(C)C2)S1 699566230 KXAUUIPZNKRIEM-CQSZACIVSA-N 296.524 4.556 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](OC)C1CCC1 701420475 HKLNFTJWZQOPLK-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@]1(N)CCCC12CCOCC2 704448629 GGYCYDXTZQCKAW-SFHVURJKSA-N 281.484 4.805 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc2c1CCCC2 715702291 BLTDQBKBLTTXRR-CXAGYDPISA-N 277.477 4.880 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC(C)(C)CC[C@@H]3C)C[C@@H](C1)C2 717491970 UPTOTQVFENXXDE-HVVXOQGOSA-N 275.480 4.926 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1ccc(C(F)(F)F)s1 718011499 OAYPGLSJNWBPBA-SECBINFHSA-N 296.317 4.812 30 10 CJEE COc1cc(/C=C/CC#N)ccc1Sc1ccccc1 725406447 IHTSIQHDDMLTKS-FNORWQNLSA-N 281.380 4.773 30 10 CJEE Cc1ccc2nc3c(c(C)c2c1)[C@H]1O[C@H]1c1ccccc1-3 725421571 XGAXQVOCXOFDNH-RBUKOAKNSA-N 273.335 4.645 30 10 CJEE C=CCCCC(=O)N[C@@H](CCCCC)c1ccccc1 1125760485 VRDLWLJKDKTCND-KRWDZBQOSA-N 273.420 4.781 30 10 CJEE C=C1CC(C)(C(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)C1 1155277083 QEWLOBPTZOZRGQ-QGZVFWFLSA-N 297.442 4.563 30 10 CJEE C=CCCN[C@H](c1ccc(CC(C)C)cc1)C(C)C 1191664621 WNSVMCCSTVUECY-SFHVURJKSA-N 259.437 4.748 30 10 CJEE C=CCCC[C@@H](C)NCc1cc2cccc(CC)c2o1 1201656479 SYBPQXPUUIVYQT-CQSZACIVSA-N 271.404 4.830 30 10 CJEE C#C[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccc(Cl)cc1 1206085399 WGQFPDNYBQDIJW-IRXDYDNUSA-N 289.850 4.963 30 10 CJEE C=C(C)CCNC(=O)Nc1ccc(Cl)cc1C(C)C 1207748800 XVVRWFZWORKPOP-UHFFFAOYSA-N 280.799 4.551 30 10 CJEE C=CCC(CC=C)C(=O)NC1CCC(CC)(CC)CC1 1271103266 ZBKZNIJNNRLLNP-UHFFFAOYSA-N 277.452 4.620 30 10 CJEE C=CCCCC(=O)NCC1(c2ccccc2C)CCCCC1 1292574435 LNCJKFGZFSYJDR-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE C=C(C)CN(Cc1ccccc1F)c1ccccc1F 1307568233 NORJHZPDHBRHKD-UHFFFAOYSA-N 273.326 4.548 30 10 CJEE C=C(CC)CN(Cc1cccs1)c1ccc(F)cc1 1307574212 QGFCIDVPFFFDTH-UHFFFAOYSA-N 275.392 4.860 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1sccc1Cl 1308434452 ODCBXWHIAFZWOJ-AWEZNQCLSA-N 291.847 4.679 30 10 CJEE CC1(C)CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 1308440340 BNPLHADWZQTQIH-QFBILLFUSA-N 296.458 4.742 30 10 CJEE CCCCCCCCCN(C)C[C@H]1CC2(CCC2)CO1 1459353881 WLEWNMUFVMDUMD-QGZVFWFLSA-N 281.484 4.628 30 10 CJEE Cc1cc2cc(CNc3cc(C#N)ccc3C)oc2cc1C 1461562614 APCMDLOILUXHCW-UHFFFAOYSA-N 290.366 4.842 30 10 CJEE C=CC[C@H]1CCN(C(=O)N[C@@H](CCCCC)C(C)(C)C)C1 1468796181 XQKYAZAVQDEODP-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1CCC(C)C 1470905334 XIMKMJJYQPVDMG-INIZCTEOSA-N 294.483 4.589 30 10 CJEE C#Cc1ccc(N[C@H]2CC[C@@H](CCC(C)C)C2)cc1 1474743579 QAKCDLDXPDYFGJ-AEFFLSMTSA-N 255.405 4.685 30 10 CJEE C=CCCc1ccccc1NC(=O)c1sc(C)cc1C 1524348451 QRSUTQUXNCAKLH-UHFFFAOYSA-N 285.412 4.736 30 10 CJEE C=CC[C@H](CC)NC(=O)[C@@H](CCC)c1cccc(Cl)c1 1524475124 NWXUCQJHRBVCPL-HOTGVXAUSA-N 293.838 4.695 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1CC 1525311873 HBLORJPPNXOGRM-RBUKOAKNSA-N 299.458 4.808 30 10 CJEE C=CCC1(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)CCCC1 1527642434 CNMYJGUBYOKNIP-HZPDHXFCSA-N 291.479 4.796 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1c(C(C)=O)ccc2ccccc12 1527982746 ACEYGHGTBNBYNG-AWEZNQCLSA-N 295.382 4.583 30 10 CJEE C=C(C)CCNC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1533719715 KIJAVHJLGJRJDK-KOHRHEQBSA-N 291.479 4.702 30 10 CJEE C=CCCCCCN(C)C(=O)c1ccccc1CC(C)C 1538733138 BXPGMKCJVHYAIT-UHFFFAOYSA-N 287.447 4.704 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Cc1ccc(CCCC)cc1 1539297937 RDSNYKHCYVPHFO-LJQANCHMSA-N 299.458 4.529 30 10 CJEE C#Cc1cccc(N(CC)Cc2ccc(C)cc2Cl)c1 1559645844 VESHVLHUXKCGCK-UHFFFAOYSA-N 283.802 4.656 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](CC(F)(F)F)C(C)C 1560764957 WAAURFHARGBQBI-STQMWFEESA-N 265.363 4.688 30 10 CJEE C=CCC[C@H](C)Nc1ccc2nc(C)cc(C)c2c1 1561006998 HQHRJEYJEARPLY-ZDUSSCGKSA-N 254.377 4.618 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H](c1ccccn1)C1CC1 1561018402 XCZYVQDFFMRAAT-QAPCUYQASA-N 272.436 4.647 30 10 CJEE C=CCCCCCCNC(=O)NCC1CCCCCCC1 1563698621 LBKBDRZZVYDUMY-UHFFFAOYSA-N 294.483 4.783 30 10 CJEE C#C[C@@H](NC(=O)CCCCCCCCCC)C(C)(C)C 1584732900 IJXHOTFRKAHACX-MRXNPFEDSA-N 279.468 4.681 30 10 CJEE C=C[C@H](OC(=O)CCSc1ccccc1)c1ccccc1 1586194684 NITQELGSPMYBOJ-KRWDZBQOSA-N 298.407 4.639 30 10 CJEE C=CCC1(NC(=O)C=C(CCC)CCC)CCCC1 1586371541 IPFCFWZQSSDILS-UHFFFAOYSA-N 263.425 4.518 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC[C@H](c2ccccc2)C1 1621355469 YOHUVJDYLKSKGO-IRXDYDNUSA-N 257.421 4.515 30 10 CJEE C=CCCCCSc1ncc(-c2ccccc2)n1C 1640759290 OQLIZRHLCBEWDC-UHFFFAOYSA-N 272.417 4.536 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(OC)c2)CCCCC1 1644164455 ZBFRLXYVRHTBSR-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=C(C)COc1cccc(NCc2cc(C)sc2C)c1 1650715609 NWLUQAGHGBLWDX-UHFFFAOYSA-N 287.428 4.932 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCCC2(CCC2)O1 1653181299 PGUFPZUQIAKVPG-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE C=CC[C@@H]1CCCN([C@H](CC)c2ccc(F)cc2F)C1 1654177554 DYXKGEBOGDWEPI-CXAGYDPISA-N 279.374 4.704 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](NCC2(C#N)CCCC2)CC1 1657121918 SVGHANRUSCTBJM-HOTGVXAUSA-N 276.468 4.655 30 10 CJEE C=CCC1(CNCc2cncc(Cl)c2Cl)CCCC1 1658101175 DSWZHTJYQSDWTE-UHFFFAOYSA-N 299.245 4.615 30 10 CJEE C=CCCc1ccccc1N[C@H]1C[C@H]2CC[C@H](C2)C1 1659572501 WKILIUWHMDJWAO-SCAQPMJSSA-N 255.405 4.796 30 10 CJEE C=C(C)c1cccc(N[C@H](C)[C@H](OC)c2ccccc2)c1 1660854468 DIQIEHFGVAVGBG-BEFAXECRSA-N 281.399 4.908 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 1661904759 CEXVHSMEUMIJSM-AWEZNQCLSA-N 283.415 4.908 30 10 CJEE C=CCCCCCN(C)Cc1c(O)cc(C)cc1Cl 1663889214 RNERCGAXMXUHBC-UHFFFAOYSA-N 281.827 4.532 30 10 CJEE C=CCC[C@@H](CCC)NCc1c(C)oc2ccccc12 1664185474 YOPLWQXUHOEGBC-OAHLLOKOSA-N 271.404 4.966 30 10 CJEE C=CC[C@@H]1CCN(C(=O)NC[C@H](C)CCCCCCC)C1 1677122935 YWIGBYFHJOFYNF-IAGOWNOFSA-N 294.483 4.591 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](CCC)COC 1879029515 LVTLXIBPOPJTMG-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCN1CC[C@H](C(C)C)CCC1=O 1883312087 BECQTODEKSOXPN-MRXNPFEDSA-N 267.457 4.632 30 10 CJEE C=CCN(Cc1ccccc1)CC1C[C@H](C)C[C@@H](C)C1 1883420130 PLSHUIYOGMNYFB-IAGOWNOFSA-N 271.448 4.747 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CC[C@@H](OC)C1 1883861312 FHMCEVJVJOGCST-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE C=CC[C@H]1CCCCN1CCC=Cc1ccccc1 1884353950 ZKDCZFHMLOQDMF-SFHVURJKSA-N 255.405 4.521 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(F)cc(Cl)c1 1887451400 DSJFBIVZHKWEIH-WBMJQRKESA-N 281.802 4.569 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H](C)C(C)(C)C 1888683784 XVPBXPRQHLOCAH-WBVHZDCISA-N 259.437 4.750 30 10 CJEE CCCN(c1ccc(C#N)c(Cl)c1)C1CCCCC1 1888723785 TXRTWVZSZJWXSJ-UHFFFAOYSA-N 276.811 4.761 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C=CC(=O)O 1912065897 KBEQZBYAEWOEDD-UHFFFAOYSA-N 296.794 4.787 30 10 CJEE C=CCC1(NCc2cc(Cl)ccc2Cl)CCC1 1913982027 ZDWJKWNKONUFKD-UHFFFAOYSA-N 270.203 4.582 30 10 CJEE N#Cc1cc(Cl)nc(N[C@H]2CCC3(CCCCC3)C2)c1 1915915594 YWJMLCIZUVOOTF-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE CCCCCCC[C@@](C)(N)c1c(C)csc1C 1919503561 AWQVABOGXULDIL-OAHLLOKOSA-N 253.455 4.899 30 10 CJEE 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IGZHHPXNSPEPFH-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 130031009 RUCXEMUZOFTUHD-AWEZNQCLSA-N 289.250 4.858 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccncc1F 135822862 DASLZLIDQOTZHW-INIZCTEOSA-N 267.388 4.785 30 10 CJEE CCCCCCCCC1(CNCC)C[C@H]2C[C@@H]2C1 157412110 LIFACRIYOMBHJD-HZPDHXFCSA-N 251.458 4.763 30 10 CJEE C=CCCC[C@H](NCC)c1cc(F)ccc1C(F)(F)F 164123590 NMNPFSVMURPLPY-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](N)CCC 167497444 WVKHWBZESUDNOL-INIZCTEOSA-N 269.473 4.994 30 10 CJEE CC#CCC[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 168074399 OINPVBVUNDQYBH-SFHVURJKSA-N 285.475 4.535 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222248472 KLTIXBDIKHNAMS-GYSYKLTISA-N 265.809 4.760 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccccc1C(C)(C)C 229739717 VUYNMJYPCLMPIS-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2)cc1 232039648 LPOPHCOQULWULI-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCC[C@@H](C)NCCCCCSC 232928713 CTNQOJGVTXUWDI-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCCC(=O)Nc1cnccc1Cl 232937171 ZSKFAUKSWHUDEO-UHFFFAOYSA-N 282.815 4.814 30 10 CJEE CCCCCCC[C@H](N)Cc1ccc(Cl)c(F)c1 232959119 AXYRPIBBJJCDCZ-ZDUSSCGKSA-N 271.807 4.709 30 10 CJEE CCCCCCCCCC[C@H](N)c1cnc(C)s1 232963733 WHPOKRZHOIKHSE-AWEZNQCLSA-N 268.470 4.982 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2Cl)C1 235340618 RWHOAWRAQXLCCU-JMSVASOKSA-N 279.836 4.902 30 10 CJEE O=C(Cc1cccc(Cl)c1F)C1=CCCCCCC1 236149165 KZKYPZMNXKYNKW-UHFFFAOYSA-N 280.770 4.871 30 10 CJEE CC[C@H](C)c1ccccc1O[C@H]1CCCC[C@H]1C#N 251374038 RLYKNDOCTVKHHI-DZKIICNBSA-N 257.377 4.661 30 10 CJEE Cc1ccc(C=Nc2ccc(N=Cc3ccc(C)o3)cc2)o1 254386520 JJSYFXZBCOKJCD-UHFFFAOYSA-N 292.338 4.991 30 10 CJEE Cc1ccc(Sc2ccc(N=CN(C)C)cc2)cc1C 254835740 LKUKTWBEDSFMEQ-UHFFFAOYSA-N 284.428 4.676 30 10 CJEE CCc1ccc(Nc2ccc(C#N)cc2Cl)cc1C 311449301 YDPPHMBCJQPKNY-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2Cl)C1 317175364 PBHBDDLSJIQJQG-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE CCC[C@H](Nc1ccc(Cl)c(C#N)c1)C1CCC1 322360502 GXCOZCLWYYMXMC-HNNXBMFYSA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCNC[C@](C)(CC)OC 322539987 SGWHGUVCYGPSGM-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C#C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1ccccc1 378673045 NCLKWZHXWSZZEQ-QGZVFWFLSA-N 269.432 4.555 30 10 CJEE C/C=C\c1ccccc1OC[C@@H](CS)c1ccccc1 382493156 GYMREEGEGJXIKU-AUEWMVCUSA-N 284.424 4.812 30 10 CJEE CCCCCCCCCCNC[C@@H](CCC)OC 394108932 MALNONQMIWYQPZ-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE C=CCCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2N 398161795 WBVOHAYEWZLDNS-XJKSGUPXSA-N 274.452 4.686 30 10 CJEE CCCC(CS)(CCC)COC[C@@H](C)C1CCC1 398442230 PDNIBVGJHNBDKN-CQSZACIVSA-N 272.498 4.956 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CCCCC1(F)F 400495862 FEQSIEYNHHOTDH-UKRRQHHQSA-N 273.411 4.782 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](C)c1ccccc1 410344436 LCULRSKARLPQIN-OAHLLOKOSA-N 279.383 4.547 30 10 CJEE Cc1cc(C(=O)/C=C\c2ccccc2)ccc1Cl 575357907 GTBKARZBYISFBK-YFHOEESVSA-N 256.732 4.545 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)c1ncc(-c2ccccc2)o1 662084250 PSSXBGLXVJFCJO-BHYGNILZSA-N 294.398 4.586 30 10 CJEE C=CCCCCC[C@]1(CNC(C)(C)C)C[C@H](C)O[C@H]1C 686467886 SLORQLOQQOINAP-XYJFISCASA-N 281.484 4.695 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@H](C)O[C@@H]1C 686480031 SXMWBINWTVAGOL-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE N#Cc1ccccc1Nc1ccc(SC(F)(F)F)cc1 690183218 XUWQIHNDABFXGP-UHFFFAOYSA-N 294.301 4.914 30 10 CJEE C#CCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692316524 YVXGPRXBCIJLTO-JTQLQIEISA-N 288.193 4.587 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1CCCC2(CC2)C1 696002389 NEJRDCZZASZTCD-IAGOWNOFSA-N 280.500 4.929 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3CCC[C@@H](C)C3)C[C@@H](C1)C2 697303559 CWQVMWPFNITFOL-KTALTATCSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCCC[C@H](O)CCCCN 697429148 JDAMVJMBOKGGMI-KRWDZBQOSA-N 271.489 4.787 30 10 CJEE CCC[C@@H]1CCCCN(C[C@@H](C#N)C2CCCCC2)C1 703254912 LEHDVDSGWQFVRM-SJLPKXTDSA-N 276.468 4.609 30 10 CJEE CCCCCCCNc1ncnc2sc(C)c(C)c12 703718824 YMZMWFOJJHJRFQ-UHFFFAOYSA-N 277.437 4.690 30 10 CJEE CCCCCCCNc1nc2cc(C)ccc2s1 703728009 OWBNAPYGXVIOCF-UHFFFAOYSA-N 262.422 4.987 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](N)C(F)(F)F 705536206 NUKAFTNMLIFJSX-CQSZACIVSA-N 295.389 4.756 30 10 CJEE CCSc1cccc(NCC[C@H]2C[C@H]2C2CC2)c1C#N 712681015 NZUWNLJRBPUAND-KBPBESRZSA-N 286.444 4.518 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@H]1NCCCCC(C)(C)C#N 717531215 XMIJCOMHJDCGFQ-HUUCEWRRSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@H](C)CO1 718514281 XPIQRLSZJIEELJ-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](C)[C@H]1CCCO1 720211247 ZCSSNTMHBJKULD-YESZJQIVSA-N 269.473 4.530 30 10 CJEE COC[C@@H](CC1(C=O)CCC(C(C)(C)C)CC1)C(C)C 721820811 WYGZXFPEDOHKRL-KLHKWILBSA-N 282.468 4.717 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(F)cc2Cl)CC1 724549477 NGZGCWPFZQRHJH-HNNXBMFYSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 724587827 CAAQXWPBZCAQSG-WNRNVDISSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(F)(F)C(F)(F)F)CC1 724607607 PWWFSVPDAYJSJV-LBPRGKRZSA-N 299.327 4.689 30 10 CJEE CC(C)(C)C(C)(C)C/N=C1/N[C@H](C2CCCC2)CCS1 725088072 CGMHGPQAIPRGKM-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE N#CCc1c(C(F)(F)F)ccc2scc(Cl)c12 725286753 PLYZCXLHKGVLAS-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE C=CC(C)(C)CCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 1131602423 LEBTWVOFLJXQEU-RDJZCZTQSA-N 287.447 4.535 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 1136952650 CSPJCHMHYIVRKB-LPHOPBHVSA-N 299.458 4.897 30 10 CJEE C=C(CC)C(=O)Nc1cccc(Cl)c1SC(C)C 1147743529 YABZMEDLODUJFV-UHFFFAOYSA-N 283.824 4.745 30 10 CJEE C=CCC1(NCc2ncc(Cl)cc2Cl)CCCCC1 1196952675 KAEROVDCFAXFEZ-UHFFFAOYSA-N 299.245 4.757 30 10 CJEE C=CC(C)(C)CCCNCc1cc(Cl)ccc1OCC 1203570764 AQWLJASCJWTKKH-UHFFFAOYSA-N 295.854 4.821 30 10 CJEE N#Cc1cccc(-c2c(Cl)cc(Cl)cc2Cl)n1 1244931886 GIAGIFXLUCBROD-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=CCOc1cccc(NC(=O)[C@]2(C)CCC(C)=C(C)C2)c1 1264785097 SYXGZQILCLWVNC-LJQANCHMSA-N 299.414 4.717 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@@H]1CCCCC)c1ccccc1 1266104024 DHRGVIJXOXEAGN-HKUYNNGSSA-N 299.458 4.918 30 10 CJEE C=C[C@@H](OC(=O)/C=C/C1CCCCCC1)c1ccccc1 1279070610 UDOZHNCIXDNTLO-LGHUBQEGSA-N 284.399 4.984 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H](c1ccccc1)C(C)C 1288553954 RXIDTDDPSZLQBO-KRWDZBQOSA-N 287.447 4.535 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2ccc(Cl)c(C)c2)C1 1308416840 JYZADISPNUVIOB-HOCLYGCPSA-N 277.839 4.525 30 10 CJEE C#CC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)c1ccccc1 1458089491 RLULYRHVBPWPOZ-IEBWSBKVSA-N 297.442 4.640 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1COc2cc(F)cc(F)c21 1462092632 VMZWNUATKRIZST-DOMZBBRYSA-N 295.373 4.513 30 10 CJEE C#CCCCCCCN[C@@H]1CCCC[C@H]1C(C)(C)C 1473280440 YPZZDAFJHKUVQY-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE N#CCc1ccc(CN2CCC[C@@H](C3CCCCC3)C2)cc1 1473670083 AXWULOAXGJLIRF-HXUWFJFHSA-N 296.458 4.545 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H](C)CC(F)(F)F 1474584636 FAMQIUKXXAYSIY-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE C=CC(C)(C)CCCNC[C@@H](C)c1ccc(C)cc1 1474695986 ATUBMSKWMNRISR-MRXNPFEDSA-N 259.437 4.681 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CC(C)C)cc1 1528518471 DMHPRFNPDFKKMI-PKOBYXMFSA-N 299.458 4.750 30 10 CJEE C=CCN(C(=O)CCCCCCC)c1ccccc1 1532545072 HTKWUQZKQOXOSV-UHFFFAOYSA-N 259.393 4.566 30 10 CJEE C=CCOc1ccc(OC(=O)c2ccc(C(C)C)cc2)cc1 1539135905 RAFMTTVLSVJGRV-UHFFFAOYSA-N 296.366 4.594 30 10 CJEE C=CCCCCSCc1cccc2cccnc12 1559453386 BLIXOYYVCBAFEN-UHFFFAOYSA-N 257.402 4.824 30 10 CJEE C=CCN(Cc1ccc2ccccc2n1)CC1CCCCC1 1559538360 WDZZSOFZGQMARU-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE C=CCCN(Cc1ccc(C#N)cc1)c1ccc(F)cc1C 1559622204 YKXZMSGYSWHTOJ-UHFFFAOYSA-N 294.373 4.589 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1C 1617467091 ZMRIDMMDWJIRCC-CZUORRHYSA-N 291.822 4.513 30 10 CJEE C=C[C@@H](C)NCc1ccc(-c2cc(C)cc(C)c2)cc1 1620857992 GEBBTGSPPQPKKY-MRXNPFEDSA-N 265.400 4.635 30 10 CJEE C=CC(C)(C)CCCNCc1cccn1CCC(C)C 1621055661 DHNYGWXMEKPMNZ-UHFFFAOYSA-N 276.468 4.616 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1c2ccccc2OC[C@@H]1F 1621521641 GMPVRGKSBJKMTK-QILLFSRXSA-N 291.410 4.573 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 1640471496 VNHSAPNWKRYLMM-FXAWDEMLSA-N 299.458 4.559 30 10 CJEE C=CCCC[C@@H](Nc1cncc(Cl)n1)c1ccccc1 1651371115 WWLQWFWVKORZEO-CQSZACIVSA-N 287.794 4.640 30 10 CJEE C=CCCC[C@H](NC[C@H]1CC2(CCC2)CO1)c1ccccc1 1659974900 FSTDKEZIYMMGDM-MOPGFXCFSA-N 299.458 4.633 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2(C)CCCCC2)c1 1665185019 VNTOTKGOHBLNPR-UHFFFAOYSA-N 286.419 4.812 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H]1CC[C@@H]1C1CC1 1876570053 MCEDHJIMFZMGEK-CVEARBPZSA-N 283.525 4.623 30 10 CJEE N#CC1(CC2CC3(C2)CC32CC2)CCC2(CC1)CC2 1877109274 OCCMYYOGUIJZPB-UHFFFAOYSA-N 255.405 4.821 30 10 CJEE CC#CCCC[C@H](NCCC)c1ccc(F)c(Cl)c1 1879651563 UKSDAQNMLTWMBY-INIZCTEOSA-N 281.802 4.713 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cscc1C 1881299376 IJSAVMCAMDZAED-UHFFFAOYSA-N 271.429 4.635 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C=CCCCC1 1882663542 FFAXARKXYUJHFF-SFHVURJKSA-N 269.432 4.811 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCc2ccccc21 1883328241 NPOBJJJNPQFKSV-GOSISDBHSA-N 259.437 4.966 30 10 CJEE C=C(CN1CCC[C@H]1c1cccs1)c1ccccc1 1883362089 WODXQENMJWBJPV-INIZCTEOSA-N 269.413 4.598 30 10 CJEE C=C(C)CN(Cc1ccccc1C(C)(C)C)C1CC1 1884628688 BBNXUGXPMZSXAY-UHFFFAOYSA-N 257.421 4.525 30 10 CJEE C#CC[C@@H](C)C[C@@](CC)(CCCC)CNCC(C)C 1887464427 MVGGTFOUVBZWEX-QZTJIDSGSA-N 265.485 4.868 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cccc(C)c1Cl 1887473839 BWJBAHLBVLXDPY-CJNGLKHVSA-N 277.839 4.739 30 10 CJEE C=C(c1ccccc1)[C@@]1(O)CCCCC[C@H]1C(C)C 1888719912 XOHKOBDYILKDPZ-ROUUACIJSA-N 258.405 4.667 30 10 CJEE C#C[C@@H](N[C@@H]1CCCCC12CCCCC2)C(C)(C)C 1892859218 NEHIZEAPFANDIQ-HZPDHXFCSA-N 261.453 4.517 30 10 CJEE CC(C)[C@H]1CCCCCC1=CB1OC(C)(C)C(C)(C)O1 1911622485 RLPIADVEDWSKIZ-OAHLLOKOSA-N 278.245 4.781 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccccc1C(=O)CC 1914547146 FBZDBUJKDCFWIV-UHFFFAOYSA-N 293.410 4.862 30 10 CJEE CC1(C)OB(C=C2CCCCCCC2(F)F)OC1(C)C 1932353748 VZDWXHNAPBXWAD-UHFFFAOYSA-N 286.171 4.534 30 10 CJEE C=C(COCc1ccccc1)C[C@@H](NCCC)C(C)(C)C 1934460090 IGAYHXFVKUUREU-GOSISDBHSA-N 289.463 4.564 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H](C)OCc1ccccc1 1955231205 SGBJAHGXWVWDFG-SCTDSRPQSA-N 289.463 4.562 30 10 CJEE CCCCCCCN(C)[C@H](C)CCc1ccc(O)cc1 1964262797 UABUFBKAGWQGBX-MRXNPFEDSA-N 277.452 4.616 30 10 CJEE CCC(F)(F)CCSc1ccc(C#N)c(Cl)c1 1971059351 VLZJEQNHNKCICI-UHFFFAOYSA-N 275.751 4.739 30 10 CJEE CCCC[C@](C)(C#N)Cc1cccc(Br)c1 1978655622 QYPWVRYBACBFLM-AWEZNQCLSA-N 280.209 4.712 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)c(Cl)s1 1978975097 MJDCGJVNQKJJFC-NSHDSACASA-N 257.830 4.717 30 10 CJEE O=C1CCCCC=C1c1cc(Cl)ccc1Cl 1986184953 ATSUJJDPESZVBV-UHFFFAOYSA-N 255.144 4.520 30 10 CJEE C#CCCCCC[C@H](NC)c1cc(C)c(Cl)s1 2001042887 UZHNUVNUZLAJRK-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE C=CCC[C@H](C)N[C@H](C)c1c(Cl)cccc1Cl 2002058607 BUHWXRSTCPUZPG-WDEREUQCSA-N 272.219 4.999 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(Br)cc2F)CC1 2010601335 ULFFXSYPGFDEND-VIFPVBQESA-N 297.167 4.517 30 10 CJEE CC[C@@](C=O)(C(C)C)[C@@H](C)c1ccc(Br)cc1 2012419474 OPUMLJXTQGLPBB-SWLSCSKDSA-N 297.236 4.804 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(Br)c(C#N)c1 2017746473 LNYHGNXYYXLPDA-JTQLQIEISA-N 295.224 4.557 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)Cc1cc(Cl)sc1Cl 2019136135 MRHSAKUSHIJXTB-TVQRCGJNSA-N 291.243 4.993 30 10 CJEE CCCCCCCCN(C)C[C@@H](CS)CCC 2019938905 POSPJDPZTMUWFE-HNNXBMFYSA-N 259.503 4.625 30 10 CJEE C#CC[C@@H](CC(=O)c1cc(Cl)c(Cl)s1)C1CC1 2020049604 MFGSQWRSJUVOSD-VIFPVBQESA-N 287.211 4.677 30 10 CJEE C[C@H]1CC[C@@](C#N)(Cc2cc(Cl)cc(Cl)c2)C1 2021017583 DDLMHMVOCUJGFG-HZMBPMFUSA-N 268.187 4.866 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2cc(Cl)cc(Cl)c2)C1 2021052439 MHSNQWXVPFQRPS-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE CCCCCCC[C@H](O)CCCCC(C)(F)F 2023314098 MXBRPFCHUABDLP-ZDUSSCGKSA-N 250.373 4.923 30 10 CJEE CCCCCCCN[C@H](C)C1C[C@@H]2[C@@H](C1)C2(C)C 2032384496 JLENKXZUJZGHTK-FVQBIDKESA-N 251.458 4.617 30 10 CJEE CCCCCCCCCCNC(=O)O[C@H](C)CC 2034608944 KKXZHUQFZMMVNG-CQSZACIVSA-N 257.418 4.652 30 10 CJEE C=C([C@H](NCCC)[C@@H](C)CC(F)(F)F)C(C)(C)C 2035425256 JPQLXVKFCUVZEM-CMPLNLGQSA-N 265.363 4.545 30 10 CJEE CCC[C@@H]1CCC[C@@H]1Nc1cc(C#N)ccc1Cl 2035429799 JOBKJSVYUSTXOC-OCCSQVGLSA-N 262.784 4.592 30 10 CJEE C=C1C[C@@H]1CC(=O)c1ccc(Cl)cc1C(F)(F)F 2040907503 WHVDYSWIPNOKGI-MRVPVSSYSA-N 274.669 4.508 30 10 CJEE C=CCCCCCCNC1CC(C)(C)C(C)(C)C1 2042385854 PBMFENDYSCWRAL-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](Cc1cccc(Cl)c1C)NCCC 2043194292 LLWRIQQWXLQABR-HNNXBMFYSA-N 265.828 4.525 30 10 CJEE C#CCCC[C@@H](CCCCCCCCCC)NC 2046030934 BRMPJTHNYIRNRI-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE C=CC1(C[C@H](O)[C@]2(C)CC[C@H](C)C2(C)C)CCC1 2049036655 YQMWKIJDGSGPDX-DZKIICNBSA-N 250.426 4.556 30 10 CJEE C=CC1(C[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2O)CCC1 2049038680 WOLASWMRSVQSDC-RRFJBIMHSA-N 250.426 4.556 30 10 CJEE CCC[C@@](C)(C#N)Cc1csc(C2CCCC2)n1 2050595066 KXXCXODXXRJVRU-OAHLLOKOSA-N 262.422 4.673 30 10 CJEE CCCCCCCCn1c(S)nc(C2CC2)c1C 2055813990 MPQIJMGBKMNVFP-UHFFFAOYSA-N 266.454 4.718 30 10 CJEE 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C=CCCCCCC[C@H](NCCC)C1CC(F)C1 2085846289 DWPHMVDQSMPOKB-GPANFISMSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCCC[C@@H]1CC(F)(F)C[C@H]1N 2086264470 UEGHPFSBFRHBIL-ZIAGYGMSSA-N 259.384 4.666 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CC(C)(C)CC 2091764778 STTMUKKXMJIIEL-HOTGVXAUSA-N 271.489 4.642 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@](C)(O)CC 2092192172 YXAVIZHRQXZINE-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](O)CC(C)C 2092192800 CVIPJDMETJDXSA-DLBZAZTESA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@](C)(O)CCCC 2092206363 MLNZBWOFZKSEEL-SJORKVTESA-N 271.489 4.656 30 10 CJEE CCC[C@](O)(CC#CC1CCCCC1)C1CCCC1 2093458103 RVKXMLWWYQHIBY-SFHVURJKSA-N 262.437 4.682 30 10 CJEE C=CCS[C@@H]1CCCCCCC(F)(F)[C@H]1NCCC 2096683281 IXRDBHAUUNXBQL-KGLIPLIRSA-N 291.451 4.632 30 10 CJEE Cc1cc(C#N)ccc1N[C@]1(C)CCCCC1(C)C 2103592697 UHORMFGWBIPKJZ-QGZVFWFLSA-N 256.393 4.638 30 10 CJEE C=C(C)[C@H](NCC)c1ccc(-c2ccc(F)cc2)s1 2107860159 CCWZXFWUXBLLLS-INIZCTEOSA-N 275.392 4.781 30 10 CJEE 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CJEE C#CCCN(Cc1c(Cl)cccc1Cl)CC(C)(C)C 2119577636 IRAGGMDZPWNLBV-UHFFFAOYSA-N 298.257 4.865 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(CC(C)C)cc1 2123079038 AADNVPXRBNYYKO-SFHVURJKSA-N 259.437 4.892 30 10 CJEE Cc1ccc(C)c(C(=O)C2=CC[C@@H](C(C)C)CC2)c1 2125181439 SWCMLJJMQOLKNV-OAHLLOKOSA-N 256.389 4.869 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(F)cc2)CC1 2125218446 UTBUVCTVGFMOMA-AWEZNQCLSA-N 260.352 4.781 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CC[C@H](COC)C1 2125337660 UQAZTIDTCYYAKX-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CC(=C2CCC2)C1 2125727139 PJEPTDIDVNABOF-FUHWJXTLSA-N 259.437 4.601 30 10 CJEE C=C1CC(C[C@]2(CNC(C)(C)C)CCS[C@@H](C)C2)C1 2125745638 ZOLUKLVPPSNBHK-YOEHRIQHSA-N 281.509 4.633 30 10 CJEE CCC(CC)(CC)CN(C)c1ccc(C#N)c(C)c1 2125842967 FUYYCAUVOYWCGQ-UHFFFAOYSA-N 258.409 4.519 30 10 CJEE C=C([C@H](NCCC)C1C[C@H]2CCC[C@@H]2C1)[Si](C)(C)C 2127042880 VSFKOVWFGFGTTP-INMHGKMJSA-N 279.544 4.615 30 10 CJEE CC1(C)CC2(CC([C@](C)(C#N)c3ccccc3)C2)C1 2127319586 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CJEE CCCCCCCCC[C@H](O)[C@H](C[C@H](C)CC)NCC 2147458511 KGBHLCYAWNDROF-SQNIBIBYSA-N 285.516 4.902 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](O)(CC)C(C)(C)C 2148578626 MFXLBVDWPKFPAG-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE N#Cc1cc(-c2ccc(C3CCCC3)cc2)ccc1O 2149060800 DCMHEKMMZOHZHG-UHFFFAOYSA-N 263.340 4.588 30 10 CJEE C=CC[C@H](CNC(C)C)C[C@H]1CCC[C@@H](C(F)(F)F)C1 2149077382 GCFMFRFGURAHGI-QLFBSQMISA-N 291.401 4.936 30 10 CJEE C=CC[C@H]1CCCCN(c2cc(Cl)ccc2[C@H](C)O)C1 2151919363 FJKJCCFGSJPCNR-KBPBESRZSA-N 293.838 4.576 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2cc(C)c(C(F)F)cn2)C1 2151979984 MODCFYRLPYOARJ-MLGOLLRUSA-N 278.346 4.689 30 10 CJEE CC1(C)CCC[C@@]1(C=O)Cc1ccc2c(c1)CCCC2 2152833605 TXLIPJUWPSHLQK-IBGZPJMESA-N 270.416 4.503 30 10 CJEE CC(C)(C)OCCCCCOc1cccc(Cl)c1C#N 2155528586 GKLMUPHKAGBCOS-UHFFFAOYSA-N 295.810 4.576 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)C1CC2(C1)CC1(CCC1)C2 2158322644 DIPCWCHQXJBNQS-WBVHZDCISA-N 275.480 4.927 30 10 CJEE CC(C)[C@H]1CCSC(=N[C@@H](C)C2CCC(C)(C)CC2)N1 2158440224 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C=CC1(C[C@H](NCCC)c2cccc(C)c2F)CCC1 2168018494 XLADPJAGDNHRGK-INIZCTEOSA-N 275.411 4.921 30 10 CJEE CC(C)C1CCC([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)CC1 2168389428 MMVHYFOVYZVWKP-VVLHZNOGSA-N 276.468 4.509 30 10 CJEE CCCC1CCC(N(C)[C@@H]2C[C@@H](C)CC[C@H]2C#N)CC1 2168435762 ODMRTHKLBVBFDQ-JDIAZBHJSA-N 276.468 4.605 30 10 CJEE CCCC1CCC([C@](C)(O)[C@@]2(C#N)CC[C@@H](C)C2)CC1 2168497510 ZJGVWUVKFUMCRK-UIJHXXCUSA-N 277.452 4.674 30 10 CJEE C[C@@H]([C@H]1CCC[C@@H](C)C1)N(C)[C@@H]1CCCCC[C@H]1C#N 2168523063 KLGRPENYENPFFX-RSJGLCBASA-N 276.468 4.605 30 10 CJEE Cc1ccc(N(C)[C@H](C)[C@H]2CCC[C@@H](C)C2)c(C#N)c1 2168526853 NBGYLAMAEYQCOK-BMFZPTHFSA-N 270.420 4.518 30 10 CJEE CSc1ccc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)C2)cc1 2168556483 LXLDEQICWYOGBO-WBVHZDCISA-N 289.444 4.552 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CC[C@@](F)(CN)C1 2168714101 VGWDGVMDFYQWHG-WBVHZDCISA-N 285.447 4.553 30 10 CJEE C=C[C@@](C)(CNCC)Cc1csc(C2CCCCC2)n1 2169852836 OLWNAARLIVLXAP-QGZVFWFLSA-N 292.492 4.535 30 10 CJEE CCCC(C=O)(CCC)CN1C[C@H](C(C)C)CC[C@H]1C 2172250027 QYTOPZOBPQRDIJ-IAGOWNOFSA-N 281.484 4.528 30 10 CJEE C=C[C@H](C)C[C@@H](Cc1nc(C(C)(C)C)cs1)NCCC 2173290433 NHWJQGQEKAQOFR-KBPBESRZSA-N 294.508 4.564 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@]1(O)CCC2(CCCC2)C1 2173635058 QKZQWOTWRCXKFC-ROUUACIJSA-N 275.436 4.572 30 10 CJEE CC(C)[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1ccccc1Cl 2176545086 MBSYXTBZMJLVQA-NWANDNLSSA-N 289.806 4.589 30 10 CJEE N#C[C@@]1(CC2CC(C3CC3)C2)CCc2ccccc2C1 2176877696 FDFFLRKQNLJMBD-DNOPENIRSA-N 265.400 4.512 30 10 CJEE C#Cc1ccc(N[C@@H](C)c2cc3ccccc3o2)cc1 2177238797 HWHCMFGLMNITFG-ZDUSSCGKSA-N 261.324 4.587 30 10 CJEE N#Cc1cc(F)c(N2CC[C@@H]2C2CCCCC2)cc1Cl 2177390741 ZSYSCCIMHUEANX-OAHLLOKOSA-N 292.785 4.510 30 10 CJEE O=C(C[C@H]1CCc2ccccc2C1)C1=CCCCCC1 2178413173 YJVIDHICQRPAJJ-HNNXBMFYSA-N 268.400 4.641 30 10 CJEE CCCCCCCC[C@H](NCC)C1(O)CC(CCC)C1 2180064346 HCHUPAVIFSJXGP-ADKAHSJRSA-N 283.500 4.656 30 10 CJEE CC[C@H]1CC=C(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 2181661042 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C[C@@H]1CCC[C@@H](COCC2(CS)CC(C)(C)C2)C1 2321724291 QMGQJSITDFFIOX-ZIAGYGMSSA-N 270.482 4.566 30 10 CJEE C[C@@H]1CC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2325257692 ALRLCMJRRPTNET-OTYXRUKQSA-N 289.177 4.680 30 10 CJEE N#CCCCCCOCc1cc(F)c(Cl)cc1Cl 2325258376 KTGSOEPDAMGCQR-UHFFFAOYSA-N 290.165 4.733 30 10 CJEE CSc1cc(SCc2ccc(Cl)o2)ccc1C#N 2328541411 NLKOKCGNTUMDBC-UHFFFAOYSA-N 295.816 4.819 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCC2)C1 2332782950 RYIXEAFMNZRMPS-XYJFISCASA-N 262.437 4.988 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC(C)(C)[C@H](NCC)C1 2335207020 PNAJZWRXJXGOBZ-JKSUJKDBSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CCC(C(C)(C)C)CC1 2337111092 IKKUQIKQOKGDGN-RDHHWEPZSA-N 263.469 4.926 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CC=C(C)CC 2338537206 ZNCYPLMBGAQKFJ-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CC1(C[C@@H](NC)[C@H]2C[C@H]3CCC[C@H]2CC3)CCC1 2338674583 QPJBIBQFAHDEAT-LUKYLMHMSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC(C)C)CCCSC1 2338729610 HYJJKACYVUTCFP-KRWDZBQOSA-N 281.509 4.514 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1C[C@H]2CC[C@H](C1)C2 2338740647 HCPFXTPBOGIROZ-RLFYNMQTSA-N 261.453 4.559 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(F)cc1C1CC1 2339207579 QGWHLPLAJRMRTM-SJCJKPOMSA-N 261.384 4.566 30 10 CJEE C=C(C)CCCCN(C)C[C@H]1C[C@H]2C=C[C@H]1CCC2 2339375973 LERURJYGBRRCNO-KZNAEPCWSA-N 261.453 4.657 30 10 CJEE C=CC[C@](C)(N)C[C@H](c1ccccc1)C1CCCC1 2342471914 SHGBDYUHVBHTJH-MSOLQXFVSA-N 257.421 4.644 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc2cccc(C)c2o1 2344346663 VFTYUOYRTUKOCX-WBMJQRKESA-N 257.377 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cncc(Cl)c1 2344385822 RRQXFZCYTDJURB-HZPDHXFCSA-N 280.843 4.768 30 10 CJEE CCCCCCCCOc1cc(F)c(CN)c(Cl)c1 2351675520 VDBHQVQHVOGLAF-UHFFFAOYSA-N 287.806 4.677 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCC2(CCCC2)C1 2352071493 HNMDNABONCVKKT-INIZCTEOSA-N 283.525 4.625 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2C[C@@H]3CCCCCC[C@@H]32)N1 2354889981 GQSNVYMPUZKWGR-QBYUYEEZSA-N 294.508 4.597 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CC[C@H]1OC 2358685638 IXBPIVLPDFAYDS-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H]1CC[C@H]1OC 2358686557 OHUCOASNAUWJGY-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(CN[C@@H](C)CC)s1 2360219150 GGEJLJMUJXGSKH-AWEZNQCLSA-N 293.476 4.844 30 10 CJEE CCC(C)(C)c1ccc(OCc2ccc(C#N)cc2)cc1 11834265 HEVWQVZNGPOBHD-UHFFFAOYSA-N 279.383 4.825 30 10 CJEE Cc1c(C)c(C)c(C(=O)/C=C\c2ccncc2)c(C)c1C 33374061 QPZHCBCJLYPUOO-SREVYHEPSA-N 279.383 4.520 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(OC)c2)C1 37154684 SCWROAPGJWDCGZ-DVOMOZLQSA-N 275.417 4.506 30 10 CJEE CC(C)(C)c1ccc2c(c1)[C@H](C#N)CC1(CCCC1)O2 41390435 VOKRKMRQNFDJIA-ZDUSSCGKSA-N 269.388 4.687 30 10 CJEE CCc1ccc([C@@H](C)N[C@@H](CC#N)c2ccccc2)cc1 55017374 PFLPLZBPIPKGST-BEFAXECRSA-N 278.399 4.555 30 10 CJEE CC(C)(C)c1ccccc1OCC1(C#N)CCCCC1 57566852 HSNKZJWWAXWMKD-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE COc1ccc(C)cc1C[C@H](C#N)c1ccc(C(C)C)cc1 57762129 YQSIQSUFCSDWFC-LJQANCHMSA-N 293.410 4.977 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccc(Cl)cc1Cl 71631496 ZEHPIRKWNTUHNI-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC[C@@H](C)c1nc(C#N)cc2ccc(C(C)C)cc12 77258907 ZUJSNLMHLNINNT-GFCCVEGCSA-N 252.361 4.743 30 10 CJEE CC(C)c1csc([C@H](C#N)C(=O)CCCC(C)(C)C)n1 80453178 FOYSUDZHEUYPOA-GFCCVEGCSA-N 292.448 4.659 30 10 CJEE Cc1cccc(C(C)C)c1N[C@H]1CCCC[C@H]1C#N 84110192 QRHZPWWJDPKYLP-HOCLYGCPSA-N 256.393 4.613 30 10 CJEE CC(C)c1ccc([C@@H](O)[C@]2(C#N)CCC[C@@H](C)C2)cc1 91881592 ZOWJNTBLXDESOH-ZTFGCOKTSA-N 271.404 4.563 30 10 CJEE CC[C@H]1CCC[C@H](OCC(CC)(CC)CS)C1 94585866 YJIXJXWJCYQPGV-KBPBESRZSA-N 258.471 4.708 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc2ncccc12 97284092 JUVAPZDFVDBWKL-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CC#C[C@H](C)Cc1c(C)cc(OCCC)c(C)c1C 107639977 GPFYRDSYDWUGAK-ZDUSSCGKSA-N 258.405 4.603 30 10 CJEE CCCCCCC[C@@]1(N)CCCCc2ccccc21 109701454 RCXQOZAOQHFEMW-GOSISDBHSA-N 259.437 4.928 30 10 CJEE CCCCCCCO[C@@H](CNC)c1ccc(Cl)cc1 110067941 UJYAMESIFXQZGG-INIZCTEOSA-N 283.843 4.588 30 10 CJEE CCCCCCCCO[C@H](CNCC)c1cccc(F)c1 110070315 HPLFPEZKEWHCIL-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CCN(CC)c1ccc(Nc2cccc(Cl)c2C#N)cc1 110259198 UXQYJJUOGRGYOI-UHFFFAOYSA-N 299.805 4.801 30 10 CJEE N#Cc1cc(F)ccc1Sc1ccccc1Cl 111037338 VCIQENSIWOJEKG-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE CCCCCCC[C@@](C)(CN)Nc1ccc(Cl)cc1 115027484 KYGMAZLAOUYTPO-INIZCTEOSA-N 282.859 4.830 30 10 CJEE CCCCCCCCc1noc(N)c1-c1ccc(F)cc1 115858524 NVKYNCBVOBLJFC-UHFFFAOYSA-N 290.382 4.966 30 10 CJEE CCCCCCCCO[C@@H]1CC(=O)C12CCCCC2 117298937 DWRFYLNVXCTKBK-MRXNPFEDSA-N 266.425 4.655 30 10 CJEE CCCCCCCC[C@H](N)C(C)(C)N1CCCCCC1 118149473 PZJFAUPTENIPPW-KRWDZBQOSA-N 282.516 4.719 30 10 CJEE CC#CCC[C@H](NCCC)c1cccc(Cl)c1Cl 124689280 LNEDPASWBDWGPX-AWEZNQCLSA-N 284.230 4.838 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](CC)OC 124705772 ZMPFQMJBURVCST-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)c(F)cc1F 126184164 SKEWTUQDYCGEAE-HNNXBMFYSA-N 255.352 4.634 30 10 CJEE C=CC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 128782211 XHDRLWVAPFYMOE-MFJUZZNBSA-N 261.453 4.537 30 10 CJEE CCCCCCCCCCN[C@H](C)c1cn(C)nc1C 129275114 FZQJPZOYTFEZFP-OAHLLOKOSA-N 279.472 4.520 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccccc1OCC 130340527 NAVXZTHUGJGUSG-QGZVFWFLSA-N 292.467 4.730 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cccc(C(F)F)c2)c1 131860500 PJFSQSKETAKRRA-UHFFFAOYSA-N 292.716 4.761 30 10 CJEE CCCCCCCCC[C@H](C[C@@H](C)OC)NCC 134473310 BOLUDMGKOMGRFT-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(C(F)(F)F)c2)CC1 142196436 YDILHDSGJJXLQT-JTQLQIEISA-N 268.278 4.635 30 10 CJEE CCCCCCCCNc1cc(OC(C)C)c(F)cc1N 159131298 BMUCDXRPGNTQSK-UHFFFAOYSA-N 296.430 4.968 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(F)c(OC)c1 159945205 OQXIKAPCFXEIDT-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE N#Cc1ccc(CSc2ccc(F)cc2)c(Cl)c1 163424742 DHMBEALGTTVAAL-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164026253 QCJDWAYNXNZVOL-IAQYHMDHSA-N 296.336 4.958 30 10 CJEE CC(C)[C@@H]1CCCC[C@]1(C#N)Nc1ccc(Cl)cc1 214721959 BDQSJRJFXGJNBG-JKSUJKDBSA-N 276.811 4.860 30 10 CJEE C#CCCCOc1cc2sc(C)nc2c2sccc12 227910584 RILURZYMUXBDHF-UHFFFAOYSA-N 287.409 4.612 30 10 CJEE CCCCCCCCC[C@@H](CN)Nc1ccccc1 232970997 GUJTUCRQOGAXAC-KRWDZBQOSA-N 262.441 4.567 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H]1CCC[C@H]1CN 250796672 AZLVYQDOEHWQPQ-RBUKOAKNSA-N 296.543 4.967 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 252434412 FLKNNYCTGBDWIQ-YLFCFFPRSA-N 276.468 4.605 30 10 CJEE Cc1cc(C(C)(C)C)cc(C)c1[C@@H](C#N)c1cc[nH]c1 259307875 XEWUJSQCUCNVFO-INIZCTEOSA-N 266.388 4.585 30 10 CJEE CCCCCCCC[C@H](CC#CC(C)(C)C)NC 302239521 CRYUYSHMGRHLPV-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE N#C[C@]1(CCCC(F)(F)F)CCCc2ccccc21 311652549 ZNUAETUCIHVSMB-CQSZACIVSA-N 267.294 4.517 30 10 CJEE CCC(CC)(CS)COc1cc(C)c(C#N)c(C)c1C 312249097 IRUUKPAVEPKIPU-UHFFFAOYSA-N 291.460 4.599 30 10 CJEE CC[C@H](C)[C@@H](c1ccccc1)[C@H](N)CC#CC(C)(C)C 312361567 WQVHUDWUAABMNP-JQHSSLGASA-N 271.448 4.583 30 10 CJEE CC(C)C1CCC(C#N)(c2snc3ccccc23)CC1 312682292 ZWBNRSGXWHWXQC-UHFFFAOYSA-N 284.428 4.904 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C=O)CCc2ccccc21 316657023 RUZBYEPWOILXOD-MAUKXSAKSA-N 258.405 4.676 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)C1 380995400 HSOQNJQFQFGLDW-DFBDCSAJSA-N 275.436 4.834 30 10 CJEE CCCCCCCCC[C@@H]1NC(=O)[C@H]1C1CCCCC1 385336727 RHLHXGNFNZGQLL-IRXDYDNUSA-N 279.468 4.822 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H]1Cc2ccccc2S1 386747456 FXOQTZCBCDVKLN-HOCLYGCPSA-N 289.488 4.674 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@@H](C#N)c1ccccc1 387404915 RMCLVLZDMRGGLP-YLJYHZDGSA-N 292.426 4.594 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1cc(F)ccc1Cl 387520557 ZTNBYGOQEHWIKL-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE CC(C)(C)C#CCNc1ccc(C(F)(F)F)cc1Cl 388778237 JTZWXMIFYYFBBD-UHFFFAOYSA-N 289.728 4.820 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2ccsc2Br)C1 389059002 CGVQHECFNBWFCG-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE C=CC[C@H](CC)N[C@H]1CCC[C@H](C(C)(C)C)CC1 393794343 HDOBDZNCVGSGSR-JYJNAYRXSA-N 251.458 4.926 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC[C@@H]1C(C)C 395860225 RSXOSKRBZDVVSP-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE C=C(CC)CNc1ccc2ccccc2c1Br 396994901 ZFCSIHFBKWBYTL-UHFFFAOYSA-N 290.204 4.980 30 10 CJEE N#C[C@H](CSc1ccc(F)cc1)C1CCCCC1 397150260 FPPBDJPLMYTJQQ-CYBMUJFWSA-N 263.381 4.638 30 10 CJEE CCCCCCCCC[C@]1(F)CC[C@H]2CNC[C@H]2C1 400927341 MSIHMKWKAZLUDH-BBWFWOEESA-N 269.448 4.855 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3C[C@@H]3C2)CCCc2ccccc21 403375534 KDTBONSOKWVDOJ-QSOKESPWSA-N 265.400 4.611 30 10 CJEE CCCCCCCCOC[C@@H]1CCC[C@@H](NCCC)C1 403756123 DJDGNXPOCQAJKX-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE Cc1ccc(C(F)(F)F)cc1NCC1(C#N)CCCC1 405178910 VAVGSIGGIVZIMJ-UHFFFAOYSA-N 282.309 4.510 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccccc1CC 410346628 WOQWGIBGCGDLKR-UHFFFAOYSA-N 279.383 4.620 30 10 CJEE C[Si](C)(C)C#Cc1ccc(Oc2ccccc2)cc1 575180725 WXSUFUCOBHXUPF-UHFFFAOYSA-N 266.416 4.708 30 10 CJEE Cc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 575381247 PSPDJGUTGHPLFF-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)C 686691760 RIEJRJBWAOCVCQ-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@](C)(O)c2ccsc2)C1 688281611 YZGXYULHNRYPGF-INIZCTEOSA-N 291.460 4.702 30 10 CJEE CCCCCCCCCCNC[C@H]1C[C@H]1C1CC1 698982149 GCELFKVVRCAERX-SJORKVTESA-N 251.458 4.763 30 10 CJEE CCCCCCCCCCNC[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 701035490 SGZVSBGBFROZPF-BDXSIMOUSA-N 283.500 4.776 30 10 CJEE CCCCCCCCCC[C@@H](O)C(F)(F)CC 701221888 NUGYTHYCLXKRSC-CYBMUJFWSA-N 250.373 4.923 30 10 CJEE Cc1cc(C#N)ccc1N(C)[C@H]1C[C@@H](C)CC(C)(C)C1 709186728 ZRYGUQSYYTZVCO-CJNGLKHVSA-N 270.420 4.518 30 10 CJEE Cc1cccc(C#N)c1N[C@H](C1CCCC1)C1CCC1 711844313 NTBJTSBFDQHMBD-GOSISDBHSA-N 268.404 4.638 30 10 CJEE C=C(Cl)CC(=O)c1c(Cl)cccc1C(F)(F)F 712600053 VLFYPKRKWZXQJD-UHFFFAOYSA-N 283.076 4.684 30 10 CJEE C=CC(C)(C)CCNC[C@@H]1CCC[C@@H](C(F)(F)F)C1 713009591 UFATYUSDFAAKDV-CHWSQXEVSA-N 277.374 4.547 30 10 CJEE C=CC[C@H](C)Nc1c(Cl)cc(F)cc1Br 715037506 DHCPKRZGCBNXLL-ZETCQYMHSA-N 292.579 4.618 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1(OCC)CCC(C)(C)CC1 715751735 DCNUPSRKQUAPKZ-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE CC1(C)CCC(C#N)(C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 721395317 CXDOLOQMJTZBTB-NWDGAFQWSA-N 289.341 4.597 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H](C)C[C@@H](C)C1 723762624 ALVLJCKFHRRMKZ-JKSUJKDBSA-N 285.541 4.871 30 10 CJEE N#Cc1ccc(N[C@H](C2CCCC2)C2CC2)cc1Cl 723854221 FIEMBSOAOYULCB-MRXNPFEDSA-N 274.795 4.592 30 10 CJEE Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)[nH]2)cc1C 806566255 YYLCDKBXNJAVTL-ALCCZGGFSA-N 293.288 4.546 30 10 CJEE CC(=Nc1ccc(C)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1084216790 GBXUAQUNPUPTRK-UHFFFAOYSA-N 288.734 4.697 30 10 CJEE C=CCC1(CNCc2cccc(Cl)c2F)CCCC1 1178710103 SRSAUWZJNCIMBC-UHFFFAOYSA-N 281.802 4.705 30 10 CJEE C=C(C)CN(CC)C[C@@H](C)c1ccc(C(F)(F)F)cc1 1180437968 SFVAXMGLJSCVHX-CYBMUJFWSA-N 285.353 4.707 30 10 CJEE C=CCC[C@@H](C)NC[C@@]1(Cc2ccccc2)C=CCCC1 1183279738 CEYQHOLFMOZQJB-QUCCMNQESA-N 283.459 4.900 30 10 CJEE COC[C@H](S[C@H](C#N)C1CCCCC1)c1ccccc1 1190209741 HVFVVNZMTZEVHM-SJORKVTESA-N 289.444 4.580 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cccc2c1CCO2 1205629442 VYIARAGAHGLSIK-CQSZACIVSA-N 259.393 4.558 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cncc2c1CCCC2 1206637099 WDBLEYKZZMWOMB-OAHLLOKOSA-N 272.436 4.897 30 10 CJEE C=CCCC1(CNC[C@H](OC)C2CCCCC2)CCCC1 1206657647 SLNLHESTLDXPPI-SFHVURJKSA-N 293.495 4.698 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 1264788080 DOXGIFRMNKGELL-CQSZACIVSA-N 287.403 4.571 30 10 CJEE C=C[C@H](OC(=O)CCc1ccc(CC)cc1)c1ccccc1 1279069231 HWKIODNXASHXCJ-IBGZPJMESA-N 294.394 4.652 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC)c2cc(C)ccc2C)CC1 1287821994 WZVNNOYYTCLIQD-SFHVURJKSA-N 285.431 4.617 30 10 CJEE C#Cc1ccc(CN[C@@H](C)CCC2CCCCC2)cc1 1308268309 ANBSTKSMJOZPAC-INIZCTEOSA-N 269.432 4.507 30 10 CJEE C#CCCCCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1351609612 CDRXSDHRSHKMOE-UHFFFAOYSA-N 299.458 4.526 30 10 CJEE C=CC(C)(C)CC(=O)N(C(C)C)[C@@H](C)c1ccccc1 1436567999 LWJGUWXTQODQLE-HNNXBMFYSA-N 273.420 4.587 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)c2cc3ccccc3o2)C1 1462106764 MLOUUSRUMATGTI-IIAWOOMASA-N 269.388 4.828 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(Cl)cc2O)CCCC1(C)C 1462156014 DZDSRWZIXRXSAP-INIZCTEOSA-N 293.838 4.612 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(F)c2ccccc12 1527673002 HFQOZQAICMTGKV-CYBMUJFWSA-N 299.389 4.758 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)CCCCC1 1528239853 MEJCXOWHRMJXHC-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C#Cc1cccc(N(CC)C(=O)CCCC2CCCCC2)c1 1530148951 FNLAWGJHBXTESV-UHFFFAOYSA-N 297.442 4.771 30 10 CJEE C=CCCCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 1534017293 OAANCLILVWHZLW-MRXNPFEDSA-N 291.410 4.776 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 1536779549 ULNJHYDEFBRKPP-OWCLPIDISA-N 279.468 4.700 30 10 CJEE C=CCC(CC=C)C(=O)N(C)c1ccc(C(C)C)cc1 1544003116 KIGSZVYWVXCOAM-UHFFFAOYSA-N 271.404 4.541 30 10 CJEE C=CCC1(C(=O)OCc2csc(C)c2C)CCCC1 1544507405 QWVXNYRWMPTGCE-UHFFFAOYSA-N 278.417 4.545 30 10 CJEE C=CCCCC[C@H](C)Nc1cnn(CC(C)C)c1C1CC1 1560863057 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C=CCCN(Cc1ccccc1)c1ccc(N)c(Cl)c1 1882663534 FADCGARDBGPKDA-UHFFFAOYSA-N 286.806 4.505 30 10 CJEE C=CCC[C@H](C)N(C)Cc1ccccc1C(C)(C)C 1884631894 XIBWARCOXRJTHR-HNNXBMFYSA-N 259.437 4.771 30 10 CJEE CC#CCCCC[C@H]1CCC(C)(C)[C@H](NCCC)C1 1885237329 OYKRRSGNFDBGIV-DLBZAZTESA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CCC12CCC2 1885245134 QSCURGYWDGCDNQ-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=CCCN(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 1886643741 ZCVFAKHMNJBTGE-UHFFFAOYSA-N 296.801 4.794 30 10 CJEE N#Cc1ccc(COCc2cc(Cl)cc(Cl)c2)cc1 1893159349 ODPBKSXJVHIDDY-UHFFFAOYSA-N 292.165 4.582 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H](CC)CCC 1893756701 RWGSCGYGFUNWOJ-QGZVFWFLSA-N 259.437 4.891 30 10 CJEE CC(C)C[C@H](CS)CN(Cc1ccccc1)C1CCC1 1893839364 LXDSXYRQTNHMRO-KRWDZBQOSA-N 291.504 4.633 30 10 CJEE CCCCCCC[C@](C)(Oc1ccccc1Cl)C(=O)O 1912217852 DTZNJNQHROOFTC-INIZCTEOSA-N 298.810 4.923 30 10 CJEE CC(C)[C@@H](C#N)N(Cc1ccccc1)[C@@H](C)c1cccs1 1915398129 JIKDIXZBZQNILA-DOTOQJQBSA-N 298.455 4.859 30 10 CJEE 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C=C1CC(C[C@@H](NC)c2ccc3sccc3c2)C1 2061726140 MRJGWTTWVWGRAL-OAHLLOKOSA-N 257.402 4.518 30 10 CJEE C=C([C@@H](NC)[C@H]1CC[C@H](CCC)CC1)[Si](C)(C)C 2072681201 FYQNPFKPWOHGGR-BZUAXINKSA-N 267.533 4.615 30 10 CJEE C=C1CCC(C[C@](O)(c2cccs2)C(C)C)CC1 2075725451 SQEYOSYCNIHUFF-MRXNPFEDSA-N 264.434 4.728 30 10 CJEE CC(C)(CS)COC[C@H]1C[C@@H]1C1CCCCCC1 2080288487 LRJMUJHSFSWIJX-HUUCEWRRSA-N 270.482 4.566 30 10 CJEE SCCCCCCCCCO[C@@H]1CCC[C@H]2C[C@@H]21 2085911416 KCHNXVJACCZCCO-HRCADAONSA-N 270.482 4.852 30 10 CJEE C=CCCCCCCCCN1CC[C@H](C(C)C)C1 2086236103 HDUPSKKZCMMPSU-KRWDZBQOSA-N 251.458 4.881 30 10 CJEE CCCc1ccccc1C[C@]1(C=O)CCC[C@H](C)C1 2088228047 QEVZNCAFUFHAGK-YJBOKZPZSA-N 258.405 4.577 30 10 CJEE C=CCCC[C@H](NCC)c1ccccc1CC(C)C 2089360434 XHUZKYBQKKIAAL-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C=C1CC(CN[C@H](CCCC)c2ccc(F)cc2)C1 2090145898 KTSABIQODFQDNW-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@H](C)CC2CCCCC2)N1 2090412594 USITYFCPQIXZIP-CJNGLKHVSA-N 282.497 4.597 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(O)CCCCC 2092205196 WFIBLHRINUKQTN-DLBZAZTESA-N 271.489 4.786 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1ccsc1 2092213979 CVXYQURBPBZPPA-CVEARBPZSA-N 283.481 4.510 30 10 CJEE CC(C)(C(=O)CC#CC1CCCCC1)C1CCCC1 2093458034 RFXFLXHYMHWPSS-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CCCCCCCCCN[C@H]1C(F)(F)C12CCCC2 2097487389 FCASCYMXXHFRMJ-CQSZACIVSA-N 273.411 4.905 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccn(C(C)C)n1 2097605255 NXNXIIIUXACDRJ-OAHLLOKOSA-N 265.445 4.605 30 10 CJEE CC(C)C[C@H](C)[C@](C)(O)C1(C#N)CCCCCCC1 2097633774 RLBJTYPTCUZLHB-HOTGVXAUSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCC[C@@H](N)CC1 2098336790 AHXHTQRXCGLMMQ-HZPDHXFCSA-N 267.457 4.604 30 10 CJEE C=CCCC[C@H](N)c1ccc(-c2ccccc2)cc1 2098400152 RLFXMLLXDUMDEL-SFHVURJKSA-N 251.373 4.710 30 10 CJEE CCCCCCCCC[C@@]1(O)C[C@H]2C[C@H]1CC2(F)F 2101413368 YHLIQMPCNRINGF-RRFJBIMHSA-N 274.395 4.923 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(Cl)cc(F)c1F 2102477712 SHCPGDNYUMYMTH-IINYFYTJSA-N 285.765 4.625 30 10 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CJEE CCCC(C#N)(CCC)Sc1cccc(F)c1 97322645 CLKHZLCSTQKGCN-UHFFFAOYSA-N 251.370 4.780 30 10 CJEE CCCCCCCOc1cccc(Cl)c1CNC1CC1 106595796 GJDWPLTYXRVKSK-UHFFFAOYSA-N 295.854 4.941 30 10 CJEE CC[C@@H]1O[C@@H]1[C@@H](C)Cc1ccc(OCc2ccccc2)cc1 107579464 YNKGLMHHOSOQDU-RYGJVYDSSA-N 296.410 4.622 30 10 CJEE C#CC[C@H](CCC)c1c(C)c(Cl)cc(C)c1OC 107648894 YHOMJQLNDIFFCO-CYBMUJFWSA-N 264.796 4.872 30 10 CJEE CCCCC1CCC(/C(=N\N)NC2CCCCCC2)CC1 109966390 YXQPFIXYBGJKDS-UHFFFAOYSA-N 293.499 4.568 30 10 CJEE CCCCCCCOCCNc1cccc(Cl)c1 110240096 PVLZLCJOKKBVSX-UHFFFAOYSA-N 269.816 4.739 30 10 CJEE CN(Cc1ccccc1Cl)c1ccc(C#N)cc1Cl 110254836 AMLIYTSKODOTPA-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C(C)=O 111692141 OECCOMZXGKYNAY-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@H](O)Cc1ccccc1F 112886032 DUBWEYOEWBVJRJ-INIZCTEOSA-N 266.400 4.870 30 10 CJEE CCCCCCCCCC[C@]1(O)CCO[C@H](CC)C1 114875996 QKSNUOKCNUQWOL-SJORKVTESA-N 270.457 4.837 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(COC)cc1 115201339 WUAFWLNYAOJYCA-KRWDZBQOSA-N 264.409 4.617 30 10 CJEE CCCCCCCCC[C@H](Cc1ncccc1C)NC 117688907 ZIBHNZSFMUCUCT-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)C1CCCCC1 125656312 RINJYMVLUWLKPR-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCCCCCNc1nnc(C)c(C)c1C#N 129333439 XKSCEBXIBBNAEF-UHFFFAOYSA-N 288.439 4.518 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H](CC)OC 130836740 XBQISIRUKOTJDZ-DLBZAZTESA-N 286.504 4.554 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccoc1C 132845737 BHXDCXSKUPPBRL-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccc(COC)o1 133228086 DTFWGKJYKOBOEK-MRXNPFEDSA-N 281.440 4.827 30 10 CJEE N#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1C#N 140677742 WJGFGDWEHFXATQ-UHFFFAOYSA-N 295.345 4.900 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](C)(CC)OCC 159867106 IDJAVMDYODOLFY-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE CCCCCCC[C@@H](O)C[C@H]1CCOc2ccccc21 162158236 HQBAOZMPFSTDGV-HZPDHXFCSA-N 276.420 4.664 30 10 CJEE C=C(C)CCNc1ccccc1Oc1ccccc1 164417207 MKZQEDOXIZPGAI-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE CCCCCCCOc1c(C)cccc1CNC(C)C 165435788 UUBDHCSTIFHPPR-UHFFFAOYSA-N 277.452 4.842 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](OC)c1ccccc1 167746126 DPIDHBMDJBFWGG-ROUUACIJSA-N 277.452 4.713 30 10 CJEE C=C(C)CC(=O)c1ccc2cc(Br)ccc2c1 167786722 BJCAKHLPGALIBH-UHFFFAOYSA-N 289.172 4.751 30 10 CJEE CC(C)(C#N)CCCN(Cc1ccoc1)C1CCCCC1 174874127 KRPQVZKKIJJUMM-UHFFFAOYSA-N 288.435 4.744 30 10 CJEE CCCCCC#CCC(=O)c1ccc2ccccc2c1 205089895 XNHMRAJSQADOFY-UHFFFAOYSA-N 264.368 4.996 30 10 CJEE C=C(CN[C@H]1CCCC[C@H]1C(C)C)c1ccccc1 215086193 NFMHLMRYADPQQL-ROUUACIJSA-N 257.421 4.504 30 10 CJEE C[C@H]1CC[C@H](C#N)[C@H](S[C@H]2CCC[C@@H](C)C2)C1 226532532 VUPCRGYBHGWFML-QKGCVVFFSA-N 251.439 4.627 30 10 CJEE O=C1C=C(c2ccc(-c3ccccc3)cc2)CCCC1 230165272 BPICCMKWDMYBOF-UHFFFAOYSA-N 262.352 4.880 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Cl)ccc2F)C1 231191557 LWLNTBCPIXSIHT-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CC(C)(C#N)CCCn1ccc2cccc(Cl)c21 232516699 QRUPTIQFIGJBEI-UHFFFAOYSA-N 260.768 4.625 30 10 CJEE CCCCCCC[C@](C)(O)Cc1ccc(Cl)cc1 232954070 GTNPSTSTZCEVIH-INIZCTEOSA-N 268.828 4.994 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(C3CCC3)cc2)CC1 235380459 AXNXILBEZKXZTG-ZDUSSCGKSA-N 254.373 4.883 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccccc2Cl)c(C#N)c1 235542903 GZSANKZWWVQHMR-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)c(F)c1 235756402 NYLQEMRNRBUWSJ-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCC[C@H](Cc1ccccc1Cl)C(=O)O 236455932 HFTBOLDUSDVUCQ-CQSZACIVSA-N 280.795 4.720 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@]2(O)CCC[C@@H](C(C)(C)C)CC2)C1 252552092 QAPCIWCZAGLDSZ-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE C[C@@H](C#N)c1ccc(C(C(F)(F)F)C(F)(F)F)cc1 260150414 FBLYYFUWUNIQIC-ZETCQYMHSA-N 281.199 4.522 30 10 CJEE CCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300105844 ITFSDQODGFBVNT-OBJOEFQTSA-N 274.495 4.542 30 10 CJEE CCC[C@@H](C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307900001 XUUHZPABFKYQAW-SMDDNHRTSA-N 286.202 4.531 30 10 CJEE CCCCCCCCCC[C@H]1COC(C)(C)[C@@H]1NC 311834135 MDXAZFJDLDPUOH-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cc2c(s1)CCCC2 311837320 GXXYRUKVZXMLBV-ZDUSSCGKSA-N 277.477 4.880 30 10 CJEE CCC1CCC(C=O)([C@H]2CCCC[C@H]2CC)CC1 316560629 AGNAWJJUDFRZPN-GMRIPVOYSA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@@]1(CNCC)CC[C@H](CC)C1 317404064 HCJSCDDGWOWSCM-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1O2 317958505 DWCBYAXYMIZQEW-JFIYKMOQSA-N 281.484 4.673 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H](OCC)C1(C)C 378688426 XMUKTTNTCODZNN-YESZJQIVSA-N 284.484 4.939 30 10 CJEE CCO[C@@H]1C[C@H](C2(C#N)CCC(CC)CC2)C1(C)C 378699403 IHBGHTASNTUQBK-KRIMKBQASA-N 263.425 4.548 30 10 CJEE CCCCCCCCCNCCCOCc1ccccc1 390061744 UYVAHMBWLJIWDV-UHFFFAOYSA-N 291.479 4.934 30 10 CJEE CCCCCCCCOCCC(CC)(CC)CN 395587164 AUBURJKBGNWVRE-UHFFFAOYSA-N 257.462 4.519 30 10 CJEE CC(C)(C#N)CCCNC1(c2ccccc2)CCCCC1 477634558 KEBKATUXIRJDMB-UHFFFAOYSA-N 284.447 4.766 30 10 CJEE C=CCCCN(C)C(=O)Nc1ccc(CCC(C)C)cc1 523022551 AATQQFYKYBOINZ-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE CCCCCCCCC[S@@](=O)Cc1ccc(C)cc1 526851480 ZEQGDOZWABNMGY-LJQANCHMSA-N 280.477 4.994 30 10 CJEE C[C@@H](c1cccc2ccccc12)N1CCC(C)(C#N)CC1 575015303 MGQCPPCKNPZGFA-HNNXBMFYSA-N 278.399 4.526 30 10 CJEE Fc1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F 575339633 JMIYPKLAAKVGER-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 651704361 GTNUCJKUXIPFAD-UXPWSPDFSA-N 292.426 4.505 30 10 CJEE CC(C)[C@H]1CCCCC[C@H]1Nc1ccc(CC#N)cc1 691132867 CNOIJNIFEMINOP-QZTJIDSGSA-N 270.420 4.769 30 10 CJEE CCCCCCCC[C@H](NC)c1scc2c1OCCO2 691522161 JWMOETYKDOYJID-ZDUSSCGKSA-N 297.464 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccsc1Cl 692282754 UEBLWQCEJNQQJP-WCQYABFASA-N 269.841 4.626 30 10 CJEE CC(C)(CC(F)F)C[C@@]1(C#N)CCc2ccccc2C1 694110593 RWCNINMCIQDNKR-QGZVFWFLSA-N 277.358 4.757 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc(C)c(F)c(C)c1 694955997 RGOPPHZJTBPQEU-MRXNPFEDSA-N 275.411 4.533 30 10 CJEE CCC1(CC)CS/C(=N/C2CCC(C3CCC3)CC2)N1 695864387 JEVKLPPSCZUBGD-UHFFFAOYSA-N 294.508 4.597 30 10 CJEE C[C@@H](CC(C)(C)C#N)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 695872163 NVHCFTPLYAMKHD-ZOMKSWQUSA-N 263.425 4.546 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CCCCN1C 700152616 MKTQWNDCTJHRQI-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(CCC)CCCN1 702906774 LZKGXLWPMZXDBN-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCCCCCCCNCc1ccc(F)c(F)c1F 703615033 ZJVMPWQNLISEKE-UHFFFAOYSA-N 273.342 4.554 30 10 CJEE CCCCCCCC[C@@H](Cc1ccc(Cl)cn1)NC 703905097 HGZTXFXUWBUYNN-HNNXBMFYSA-N 282.859 4.616 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)cc1 709380728 GJOVJSPPZPVGIG-JQHSSLGASA-N 257.421 4.781 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc2cc(C)ccc2o1 710682722 NEMSJBVGVJLAGJ-CQSZACIVSA-N 277.795 4.925 30 10 CJEE CCCCCCCC[C@@H](NCC)c1c(F)cncc1F 710808281 FAWQEHLMHAHKBA-OAHLLOKOSA-N 284.394 4.761 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714480711 MMDVUZVDKGLYNV-JONQDZQNSA-N 269.860 4.714 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)c(C)c1 715707055 VKIULNGEFMIFTE-ABAIWWIYSA-N 251.801 4.511 30 10 CJEE CCCCCCCCC[C@]1(CNCC)C[C@H](C)CO1 718477705 DZELEBKEGCFCMU-DLBZAZTESA-N 269.473 4.532 30 10 CJEE O=C1C=C(CCc2cc(Cl)cc(Cl)c2)CCC1 722116759 QYYSFPBXWLBKGL-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE C=C1CCC(C[C@H](CSc2ccccc2C)NC)CC1 724576627 ZZOGJXMCKMMXJI-QGZVFWFLSA-N 289.488 4.812 30 10 CJEE C=C1CCC(C[C@H](NN)c2cc3sccc3s2)CC1 724578539 FHJXTXKSVFKUQK-LBPRGKRZSA-N 292.473 4.604 30 10 CJEE Cc1ccc(/C(=N/OCc2ccccc2)C2CC2)c(C)c1 821229719 WVJFHSBWJZCOSU-FMQUCBEESA-N 279.383 4.634 30 10 CJEE CCCCCCCCCC[C@H](CO)C1CCOCC1 829266315 XXFFLSFROBFLRP-QGZVFWFLSA-N 270.457 4.552 30 10 CJEE C=C1CCC(C(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 1124915344 HQAIVZVYGKRKKB-MRXNPFEDSA-N 291.822 4.654 30 10 CJEE C=CC1(CC(=O)N(C(CC)CC)C2CC2)CCCCC1 1125201879 UTEREUJIEOTVHG-UHFFFAOYSA-N 277.452 4.693 30 10 CJEE C=CC[C@H](C(=O)Nc1cscc1Cl)c1ccccc1 1133293153 OZMRVKBAJOSCHZ-LBPRGKRZSA-N 291.803 4.700 30 10 CJEE C=CCCCCCSCc1nc2ccccc2[nH]1 1166307534 IDQQAOJFWBUFSB-UHFFFAOYSA-N 260.406 4.543 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)CC1CCCCCC1 1167251909 NMFNRFIPDGCRNT-UHFFFAOYSA-N 282.431 4.517 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1OCc2ccccc21 1184336532 AGPSUYCXCVGHNF-CRAIPNDOSA-N 275.436 4.597 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCC=CCCC2)CCCC1(C)C 1270803065 VHVWYFCHLWWTNA-SJORKVTESA-N 289.463 4.716 30 10 CJEE CCCCCCCCCN1CCO[C@@H](C(C)(C)C)CC1 1308168841 ORFSJFJPUDQSOE-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H]1CCC[C@H](C)C1)c1ccccc1 1357585546 OPORVPGLDPAGHH-LNLFQRSKSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCCNC(=O)C1CCC(C2CC2)CC1 1436597714 SCMQVPGRRSFACK-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 1463669495 YNWSBVDYURJTGZ-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CCC1(CN[C@@H]2C[C@H](C)CC(C)(C)C2)CCCC1 1474144746 AAHYTFBFIZUXCK-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CCCC)cc1 1475822353 MSALZKPTUUHQFF-QGZVFWFLSA-N 286.419 4.602 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)c(Cl)c1 1519719881 UBGYDYBDWASHKL-CYBMUJFWSA-N 279.811 4.548 30 10 CJEE C=CCC(CC=C)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1524776865 WIFIYKRWKSUFFT-HOTGVXAUSA-N 291.479 4.724 30 10 CJEE C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 1525374422 PCUFMPKUYHKWQA-VIFPVBQESA-N 287.186 4.810 30 10 CJEE C=CCC[C@@H](C(=O)NCCC(C)(C)C1CC1)c1ccccc1 1527060804 UNHQCWXTQVDUSL-GOSISDBHSA-N 299.458 4.679 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccc(C2CCCC2)cc1 1533451650 OPHMEJFWFFSVQT-UHFFFAOYSA-N 285.431 4.676 30 10 CJEE C#CCN(CC1CC2(CCC2)C1)[C@H]1CCCc2ccccc21 1560171895 ILAGQHHFAYDQFG-FQEVSTJZSA-N 293.454 4.580 30 10 CJEE C=CCCC1(CN[C@@H]2C[C@H]3CC[C@H](C3)C2)CCCC1 1560532277 YKZQUKXDPCIYLE-FVQHAEBGSA-N 261.453 4.681 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCc2c(C)ccc(Cl)c21 1584920916 IKGYODCZXCEIQH-CYBMUJFWSA-N 291.822 4.530 30 10 CJEE Fc1ccc(F)c(C#Cc2cccc(Cl)c2Cl)c1 1614825927 BLAKAUITXZIQNR-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(/C)c2ccc(F)cc2)c1 1616752055 KFYJGHPVVDZZQS-KAMYIIQDSA-N 295.357 4.901 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1625512891 RUVYEEDMRSOTJJ-YESZJQIVSA-N 291.479 4.702 30 10 CJEE C=C(C)CN[C@H](C)c1ccccc1Oc1ccccc1 1642555876 FVGGMVGQCRLTRV-OAHLLOKOSA-N 267.372 4.706 30 10 CJEE C=CCCC[C@H](N[C@@H]1C[C@H](OC)C12CCC2)c1ccccc1 1653028709 QWKFGCWFKFERSY-OTWHNJEPSA-N 299.458 4.631 30 10 CJEE C=CCC(C)(C)CNCc1c(Cl)ccc2cccnc12 1657435713 VLCRDIDFBDAVLY-UHFFFAOYSA-N 288.822 4.580 30 10 CJEE C=CCCCCC[C@H](C)Nc1cc(C#N)ccc1OCC 1664234544 VJMBDEVSTVAEMU-HNNXBMFYSA-N 286.419 4.894 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)NC[C@@H](CCC)CCCC 1680359695 MBVCATGJGKVFDY-IRXDYDNUSA-N 294.483 4.733 30 10 CJEE C=C(CN(C)[C@H](C)C1(C)CCCC1)c1ccccc1 1883352270 SXXITJQJRWQGDL-MRXNPFEDSA-N 257.421 4.600 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C(F)(F)C12CC2 1883431442 CUQVLNAUETUXBA-CQSZACIVSA-N 273.411 4.714 30 10 CJEE C=C(c1ccccc1)[C@@](C)(N)c1ccc(Cl)cc1Cl 1888705413 KOQDPTOGMANDLC-MRXNPFEDSA-N 292.209 4.881 30 10 CJEE CCCCN(C[C@H](CS)CC1CC1)C1CCCCC1 1888763235 YDQGCSKORFLENG-MRXNPFEDSA-N 283.525 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C=CCCCCCCCCCN1CCC[C@H](OCC)C1 2207384271 HOCFLQBYFQXIBS-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCCOC[C@@]1(C)CNC[C@H]1C 2207393926 YCEKKAZUSJQGRH-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCCCC[C@H](NC)C1(O)CCCC1 2207409090 LQAZSNNGCGRZCI-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H]1CC2(CC2)CO1 2207428353 XJWSCZBHPSQAEB-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1CC2(CC2)CO1 2207428355 XJWSCZBHPSQAEB-IRXDYDNUSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@](C)(N)C1CCC1 2207440436 VKGPSNFCUZOCHM-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCOc1cccc(CNC)c1 2207442816 UNYCZOAAGYWMQW-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE CCCCCCCC[C@H](CN)N(C)CCCCCCC 2207467075 DNQXUHRSPXAMFA-GOSISDBHSA-N 284.532 4.967 30 10 CJEE CC(C)N[C@@](C#N)(CS[C@H](C)C(C)C)C1CCCCC1 2208114115 HEJQCUPTNVRXHG-WBVHZDCISA-N 296.524 4.605 30 10 CJEE C=CCCCCCCCC1(C(=O)O)CC(C)(C)C1 2220078924 AFKXXNNBPOAVAD-UHFFFAOYSA-N 252.398 4.794 30 10 CJEE C=CCCCCCCC[C@]1(CNC)CCC[C@H]1C 2220083506 GJSRBTKIOIYJPI-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CSc1ccc(OCC2(CS)CCCC2)cc1C 2220459710 RPJGLZSQZQIVGD-UHFFFAOYSA-N 282.474 4.586 30 10 CJEE CCCCC[C@H](C)OC[C@@H](CS)c1ccccc1 2220729433 NBGPYSDOHVTOFW-HOCLYGCPSA-N 266.450 4.685 30 10 CJEE CCCCCCCCCCN(C)[C@H]1C[C@@H]2C[C@@H]2C1 2222716232 UBADCUMGPXAXBR-BJWYYQGGSA-N 251.458 4.857 30 10 CJEE CCCCCCCCCOC1(C=O)CCCCC1 2223262907 ATNKQTOSQVWQPY-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CC[C@@](C#N)(CCCC(F)(F)C(F)(F)F)C(C)C 2223729465 PHULXMXNQDPWDE-JTQLQIEISA-N 271.273 4.930 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1CC[C@H]1C(F)(F)F 2224359576 BVWLKKFRKKNPEC-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C[C@@H]1CC[C@@](C#N)(CCC2CC(OC(C)(C)C)C2)C1 2224732515 QRXIQZMEYCKIOM-ARAOSMHQSA-N 263.425 4.690 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc2sccc2c1 2225437029 RMQHPUOODZPHPG-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C=CCCCCCCCNCC1C[C@H]2[C@H](C1)C2(C)C 2227276507 RQYLQXLASUGNHX-IRXDYDNUSA-N 263.469 4.785 30 10 CJEE CCCCCCCCNc1ccc(C(C)(F)F)nc1 2229351837 QSLIOZGPVFIUHZ-UHFFFAOYSA-N 270.367 4.966 30 10 CJEE CC(C)(CCC#N)CN[C@@H]1CCC[C@H](C(C)(C)C)C1 2229822104 WHCALPUEGKKRIH-LSDHHAIUSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCCCOC[C@H](CC)NCC 2231081033 UARDFZIVGWAQQX-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](O)C#Cc1cccc(Cl)c1 2231091755 MZSXHKSCOATFRR-DOTOQJQBSA-N 278.823 4.515 30 10 CJEE C=CCC(C)(C)Oc1cc(C)sc1CN[C@H](C)CC 2231436495 MGOCAJDNOFEZCP-GFCCVEGCSA-N 281.465 4.678 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1cccc(Cl)c1C 2231520987 MEWUZIUISRIQRC-UKRRQHHQSA-N 279.855 4.771 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@@H](CC)CC(F)(F)F 2231555625 OSLJDPZIEPYNOO-MCIONIFRSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@H](C)NCCC[C@@H]1CCOC1 2231928590 IAKDQVGGOWTAFJ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1CCC(C)(C)O1 2231931956 FEKDYIMQDPVBAH-HZPDHXFCSA-N 269.473 4.673 30 10 CJEE COc1c(C(=O)C2=CC[C@H](C)CC2)cccc1C(C)C 2233155432 VCCIXJGUXQFEBB-ZDUSSCGKSA-N 272.388 4.748 30 10 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271.448 4.541 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCC[C@@H](N(C)C)C1 2240653481 HFVMXHHFXDZCPM-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE C=CCCCC[C@@H](NC)[C@](C)(O)CCCCCCCC 2240654743 VHCVNLIKIIPXCI-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CC1(C)CCC1)NC 2240667098 SNIXSKVDYRMOAR-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE N#C[C@]1(Cc2ccc3occc3c2)CCCC12CCC2 2241145670 TYNLOWVTDYZJHZ-GOSISDBHSA-N 265.356 4.839 30 10 CJEE CCCC[C@H](CC)CSC[C@@H](CS)C1CC1 2246111723 XHKRVBISKQYPJS-GXTWGEPZSA-N 260.512 4.892 30 10 CJEE C=CCCCSCC(=O)c1cc(Cl)ccc1Cl 2250032475 NOGZWGWEZWRJSX-UHFFFAOYSA-N 289.227 4.876 30 10 CJEE CC1CC(CS)(COc2cccc3sccc23)C1 2254141138 ZQBIDUZWOBINCY-UHFFFAOYSA-N 278.442 4.626 30 10 CJEE CCCCCCCCCOCC1(CS)CC(F)C1 2254450150 PSIFZRDAMAUGEX-UHFFFAOYSA-N 276.461 4.802 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1N 2258975933 MPCJQMWFITVUPR-RBSFLKMASA-N 269.498 4.618 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cscc1C(F)(F)F 2259197224 VUBVVYURKDBZJJ-GFCCVEGCSA-N 278.339 4.937 30 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DPVFREADRWEIJQ-LBPRGKRZSA-N 284.186 4.750 30 10 CJEE CC[C@@H]1CCCCN1[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 37147036 INHRHABVIPNKLC-BRSBDYLESA-N 290.495 4.996 30 10 CJEE CCCCC[C@H](C)Nc1cccc(OCCCC#N)c1 37777489 RBVNRUMXTDBPGK-HNNXBMFYSA-N 274.408 4.750 30 10 CJEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccccc1Cl 51634973 FPICQSMRGFJLGH-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCNc1ccccc1-n1ccnc1 59419351 VXOVKCUENXZDMP-UHFFFAOYSA-N 271.408 4.645 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 71109308 OZIVTWIVQAOONI-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE C#CCN1CC2(CCC(C(C)(C)C)CC2)Nc2ccccc21 76931980 FMYYDOYMXSRBBV-UHFFFAOYSA-N 296.458 4.527 30 10 CJEE CC(C)c1ccc2nc(C(C)(C)C)cc(CC#N)c2c1 82465635 YMOUKKNXUCXKPL-UHFFFAOYSA-N 266.388 4.722 30 10 CJEE N#Cc1ccc(Nc2ccc3sccc3c2)c(F)c1 88127438 CBWKDBWZSFTRCZ-UHFFFAOYSA-N 268.316 4.656 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cccc(C3CC3)c2)c1 94521328 LJTDVFMLWRTDIS-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 94902683 XHNSYEJBTKSDBU-GFCCVEGCSA-N 296.197 4.750 30 10 CJEE CC[C@@H]1CCCN(CCCCCCCCCS)C1 97799231 FCQMRXXLHDJZIA-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE CCCCCCCCCn1cc(CN)c2ccccc21 107027592 JCYPFTFSYPOPSL-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1ccc(Cl)c(Cl)c1 107563238 COUCJKKTZYINDY-OXHMUOHRSA-N 259.176 4.664 30 10 CJEE C#C[C@H](C)Cc1ccc(OCC(C)C)c(C(C)C)c1 107594095 IEKVRQSQPPVAQN-HNNXBMFYSA-N 258.405 4.657 30 10 CJEE CCCCCCC[C@@](C)(C#N)N1CCCCCC1 109700134 QHCQYNSDUCCICX-INIZCTEOSA-N 250.430 4.505 30 10 CJEE CCCCCCCCCCCC[C@H](CCOC)NC 109729190 ZYWWRNSOXRVNMM-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE CCCCCCCCO[C@H](CNC)c1ccc(C)cc1 110070224 AEGAWDMHKNKINM-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCCOC1 110164742 QNTQOWXAYLNCIT-SFHVURJKSA-N 283.500 4.924 30 10 CJEE CCCCCCCCn1cc([C@H](CC)NCCC)cn1 110267917 XTDYDRNMYHPGRZ-KRWDZBQOSA-N 279.472 4.694 30 10 CJEE CCCCCCC[C@@H](C)NCCOC1CCCCC1 111636106 JAYCVNREEPGPBY-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)cc1F 112899720 ATAOFEFMJZMXIO-HNNXBMFYSA-N 255.352 4.715 30 10 CJEE CCC[C@H](CC1CCCCC1)C(=O)[C@@H](C#N)c1ccccn1 113652238 KTUNRXSJJRQLKH-SJORKVTESA-N 298.430 4.645 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)C)NC[C@@H]1C(C)C 114348861 VHAWQUBXSOYDSV-RTBURBONSA-N 296.543 4.691 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(OC)c(C)c1 115062691 JXHXZCDXONTTOR-INIZCTEOSA-N 263.425 4.754 30 10 CJEE CCCCCCC[C@H](O)c1ccnc2ccccc12 115834390 ZBXAVMOPGZIGAB-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(CCOC)cc1 115859731 CNSBDNVJBXDNRG-SFHVURJKSA-N 278.436 4.660 30 10 CJEE CCCCCCCCCn1ccc(CNCCC)c1 117590276 LXVQHHYWRWSMAW-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](C)c1ccncc1 117692137 MSNLGYPCUVKXIT-NVXWUHKLSA-N 263.425 4.687 30 10 CJEE CCCCCCCC(=O)C1(N2CCCCC2)CCCC1 118178242 BKQGWMLIKOMWGX-UHFFFAOYSA-N 279.468 4.715 30 10 CJEE CCCCCCC[C@H](NC)C1(N(C)C)CCCCCC1 118186923 QTRPTSZLFNJWAR-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1ccccc1 125667861 BVTZUYGLZBXSIR-HNNXBMFYSA-N 270.763 4.775 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc(C)ccc1Br 125701315 YVKZGMYBLFCQQJ-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCOc1cccc(CNc2cccc([C@@H](C)OC)c2)c1 128851985 ASNVAIGBDOARLP-OAHLLOKOSA-N 297.398 4.571 30 10 CJEE CCCCCCCCCCNC(=O)Oc1ccccc1 129489045 VRXHIAFAPNAJRE-UHFFFAOYSA-N 277.408 4.916 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)CCC)NN 131144759 DBCSXYMSIMIKEV-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1cccc(Br)c1 132727125 VMJHDSQEYKEWKA-AWEZNQCLSA-N 295.224 4.724 30 10 CJEE CCCC[C@H](CC)COCc1ccc(C#N)cc1Cl 162978844 XTTYMZXXMYXOBM-ZDUSSCGKSA-N 279.811 4.945 30 10 CJEE Cc1cccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164399003 BDXKBPMSQXZVOS-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(C)cc1N 165295397 QITBEQVAWLMKOF-FQEVSTJZSA-N 295.492 4.826 30 10 CJEE CCCCc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1 205096185 TUTKTMDDJZRGQH-QGOAFFKASA-N 282.343 4.688 30 10 CJEE Cc1cccc(C)c1C[C@@]1(C#N)CCc2ccccc2C1 215455715 IUQRVHRIYWQRHD-HXUWFJFHSA-N 275.395 4.545 30 10 CJEE C=CCC[C@@H](C)Nc1cccc(NC(=O)OC(C)(C)C)c1 227588013 LMWMUTBQLWCWBX-CYBMUJFWSA-N 290.407 4.800 30 10 CJEE C#CCCC[C@H](NCC)[C@@H](c1ccccc1)[C@@H](C)CC 229287608 OJQZFEHQEKYWIW-YTQUADARSA-N 271.448 4.598 30 10 CJEE CCCCCCCCCCN1C[C@@H](C2CC2)NC[C@H]1CC 250814918 IRTQEIVNXMXESO-MOPGFXCFSA-N 294.527 4.590 30 10 CJEE CC(C)(C#N)C[C@H]1CSc2cccc(Br)c21 260045600 CCMXXCYZTMKHMI-VIFPVBQESA-N 296.233 4.578 30 10 CJEE N#CCC1(c2cc(F)c(F)c(-c3ccccc3)c2)CC1 260592370 PABDVDPIBFHCBW-UHFFFAOYSA-N 269.294 4.577 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 299987393 JHIOAFHZZXXWIM-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1CCCC(F)(F)C1 302371722 NEYQSSJAMQHGLE-UONOGXRCSA-N 261.400 4.760 30 10 CJEE CC(C)(C)C1CCC(Nc2ccc(C#N)c(F)c2)CC1 307928239 QYXVGNZSMZWMOD-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE CC#CCC[C@H](NCCC)[C@H](CCC)CC(C)C 308045977 GYBHNNXVSQYOME-SJORKVTESA-N 251.458 4.621 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)s1 310589986 YPOCLOCOTFCIEM-SNVBAGLBSA-N 257.830 4.654 30 10 CJEE CC[C@@H]1CCC[C@H](C2(C=O)CCC(C)(C)CC2)C1 317424141 GHJZAGWKEBOQKU-CABCVRRESA-N 250.426 4.988 30 10 CJEE C=CCCCCC[C@]1(CNCC)CCc2ccccc21 317594615 HPMOFIRCGMTQTK-LJQANCHMSA-N 271.448 4.617 30 10 CJEE C1CCC([C@@H]2CS/C(=N/CCCC3CCCC3)N2)CC1 386108099 JTHATWUYBQUZKS-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1cccc2ccccc12 387173257 NILJACKQZDKXJD-INIZCTEOSA-N 267.416 4.573 30 10 CJEE C=CCCCNCc1ccc(F)c(-c2cccs2)c1 388664912 PKGXZCXGBDQURU-UHFFFAOYSA-N 275.392 4.610 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CC[C@@H](CC)C1 388790448 MOHKCYQDNCVIRF-IXDOHACOSA-N 263.469 4.621 30 10 CJEE CCCCCCCCOCc1nc(CNCCC)cs1 393157788 SBYWOMGEHSQXSM-UHFFFAOYSA-N 298.496 4.520 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=Nc2cccc(C(F)F)c2)N1 393497824 WYDZIRZPZJURGP-GFCCVEGCSA-N 298.402 4.753 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)c(F)c1 394952534 IYNPDUWAJSSJBZ-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCCCCCC(=O)[C@@H](C)OCc1ccccc1 404476290 OUHFPXSPWXMDKT-OAHLLOKOSA-N 262.393 4.521 30 10 CJEE C=C(C)CCN1CCC[C@@H]1c1nc2ccccc2n1C(C)C 509027474 DOMXCMMTVVZZLJ-GOSISDBHSA-N 297.446 4.720 30 10 CJEE N#CCc1cccnc1-c1c(Cl)cc(Cl)cc1Cl 514263632 OVKMHUIAHUHWAY-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCC[C@@H](NCCc1cccc2[nH]ccc12)c1ccco1 517722982 LYJWNHOKTXWCNG-GOSISDBHSA-N 294.398 4.601 30 10 CJEE C=CCC1(Nc2cccc(SCC)c2C#N)CCCC1 690710429 MEWZWJIMLNMSLJ-UHFFFAOYSA-N 286.444 4.971 30 10 CJEE CCC(F)(F)C(C)(C)Cn1ccc2ccc(C#N)cc21 691000426 NMGJQDYTJVMFDI-UHFFFAOYSA-N 276.330 4.584 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1c(C)cc(C)cc1C 692213161 FMQTWKAARBAJPR-PKOBYXMFSA-N 271.448 4.836 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(C)c1 692271815 KMIQOKCWAUFOOF-NUJGCVRESA-N 257.421 4.781 30 10 CJEE Cc1ccc(C#N)c(NCCCC2CCCCC2)c1 694085464 XODDELGTXXNIQV-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(Cl)cc1C#N 695660981 QEINHTMWNYXCIH-CYBMUJFWSA-N 250.773 4.592 30 10 CJEE CC1=C[C@@H](C)C[C@@H](CNc2ccc(Cl)cc2C#N)C1 695683779 CVHXRMNISBZROI-DGCLKSJQSA-N 274.795 4.616 30 10 CJEE Cc1cccc(CSCc2ccc(C)c(C#N)c2)c1 701874966 SHEKHESCZDMDKY-UHFFFAOYSA-N 267.397 4.609 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCCCC(C)(C)C#N 703755329 BOWXEJFMGYUQQE-IKGGRYGDSA-N 278.484 4.757 30 10 CJEE C=CCCC(C)(C)CNC1C(C)(C)CCC1(C)C 703960731 GKBGAFMFPCMUID-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C[C@H]1C[C@@H](N(C)c2cccc(Cl)c2C#N)CC(C)(C)C1 709185660 VCNWICIZVYGEBU-QWHCGFSZSA-N 290.838 4.863 30 10 CJEE Cc1cc(OC[C@@H](C)CC(C)(C)C)c(C)c(C)c1C#N 709239790 YNVYZBRBLAVDMS-LBPRGKRZSA-N 273.420 4.935 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cccc(F)c1Cl 709696197 VDZTYUBNZFPICS-UHFFFAOYSA-N 296.773 4.528 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cccc2ccccc12 710010074 OSJFMLSTEJREHV-ZDUSSCGKSA-N 252.361 4.580 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cc2ccccc2s1 710679504 QCCLIXAUSPKKJE-LBPRGKRZSA-N 265.809 4.695 30 10 CJEE Cc1cc(Nc2ccc(C(F)(F)F)c(C#N)c2)cs1 710843550 WJVZJHFOSXKMJV-UHFFFAOYSA-N 282.290 4.691 30 10 CJEE C=C(Cl)C[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 712560556 MELUBKXXRMDWCT-SNVBAGLBSA-N 285.092 4.535 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H](C1CCCCC1)C1CC1 723843372 LTTPXWOUHLSDNM-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=C1CCC(C[C@@H](N)CSc2cccc(Cl)c2)CC1 724550742 ZUCPVYVTIYBHLZ-OAHLLOKOSA-N 295.879 4.896 30 10 CJEE C=C1CCC(C[C@H](NCCC)c2cc(C)ccn2)CC1 724553174 GFSSGEIYJYSHIS-SFHVURJKSA-N 272.436 4.567 30 10 CJEE C=C1CCC(C[C@H](O)[C@]2(C)CC[C@@H](C)C2(C)C)CC1 724585507 FYCCUOWFTLATIS-HFTRVMKXSA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CSc3ccccc32)CC1 724606728 JISXIYCIQUTITK-SJORKVTESA-N 287.472 4.600 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2C[C@H]2C(C)(C)C)CC1 724611473 XCULKXVMTYIHFL-BBWFWOEESA-N 263.469 4.783 30 10 CJEE C=C1CCC(C[C@H]2CCCC[C@@H]2CNC(C)C)CC1 724616253 JULQPRKRRHIIPM-QZTJIDSGSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1 883327112 RAFCWDBAKZTGMQ-QFBILLFUSA-N 280.415 4.830 30 10 CJEE CCCCc1ccc(C=Nc2ccc(C(C)=O)cc2)cc1 1081820590 QBIKKOIMFURFHU-UHFFFAOYSA-N 279.383 4.982 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 1124427056 JQXXNEYMMNWXOY-UHFFFAOYSA-N 284.186 4.678 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](C)c1oc2ccccc2c1C 1127964610 DKAFTFOEXBJBPQ-CYBMUJFWSA-N 286.371 4.948 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCC[C@H]1CCCCC 1131309426 MLCQMHFBTZGLSS-QGZVFWFLSA-N 277.452 4.716 30 10 CJEE C=CCCCCCCCNc1cc(C(C)C)ncn1 1163437810 YFARIOWICSAZDH-UHFFFAOYSA-N 261.413 4.539 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)cs1 1163715546 GEXAUZOVVMVXAL-ZJUUUORDSA-N 290.354 4.709 30 10 CJEE N#CC1(CN[C@H]2CCCCC23CCCC3)CCCCC1 1206694775 MGMMFQICHOHDRE-INIZCTEOSA-N 274.452 4.553 30 10 CJEE C=CCCc1ccccc1NCc1cc2ccccc2[nH]1 1308382646 PRDGZZKGTPVTGG-UHFFFAOYSA-N 276.383 4.899 30 10 CJEE C=CCN(Cc1cccs1)C[C@@H](C)C1CCCCC1 1308657188 QCKIJOHTUSFFPH-OAHLLOKOSA-N 277.477 4.953 30 10 CJEE C=CC[C@@H](CC)NC(=O)C(C)(C)CCCc1ccccc1 1436065035 HSBNHTGRGFDPNJ-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C=CCCC[C@@H](NC(=O)/C(C)=C(\C)CC)c1ccccc1 1438923122 UKLDGMUTFZOVRJ-WXWBBQJKSA-N 285.431 4.947 30 10 CJEE 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30 10 CJEE C=CCCCCN(C)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233550104 DHSGABDRXMUHDK-PHZGNYQRSA-N 285.422 4.736 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]3CCC[C@H](C3)C2)NCCC)C1 2233659699 JYPUEGYNUUJOSX-VUHPKUFZSA-N 275.480 4.927 30 10 CJEE C=CC[C@@](C)(NCC1C[C@H]2CCC[C@H](C1)C2)C(F)(F)F 2233662040 FGKDUZOOPMMZTJ-KCQAQPDRSA-N 289.385 4.690 30 10 CJEE CCN[C@H](C#CC(C)(C)C)c1ccc(CC(C)C)cc1 2233781171 FQAVERSZYVWDDO-GOSISDBHSA-N 271.448 4.585 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](OCC)C(C)C 2235513146 INBRTBUVGMDPNJ-MSOLQXFVSA-N 283.500 4.942 30 10 CJEE C=CCCCCCCC[C@H](O)Cc1c(F)cccc1F 2235542313 RCKPWMUBEDCDFO-AWEZNQCLSA-N 282.374 4.785 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@@]1(C)CCN1 2237832381 CPDQUORMTSCWNS-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](NC[C@H](C#N)C2CCCC2)C1 2238163812 WFNQTYDTNDJJKR-GVDBMIGSSA-N 276.468 4.511 30 10 CJEE C=C1CC(CNCC)(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 2238900232 YXIRXLVBVTXOQJ-KZNAEPCWSA-N 275.480 4.929 30 10 CJEE 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CCCC[C@](C=O)(CC)CC1CC2(CC(F)C2)C1 2259547586 RRWHPDDVXKCEPC-MYLOQMAZSA-N 254.389 4.690 30 10 CJEE CCCCCCCCC[C@](C)(N)[C@@H]1CCC[C@@H]1F 2263674347 VJCSJHUUTDJMEP-PMPSAXMXSA-N 257.437 4.983 30 10 CJEE C=CC1(CN(C)CC[C@@H]2CCCCC23CC3)CCC1 2264931263 MRPBTGQYQFPEJN-INIZCTEOSA-N 261.453 4.635 30 10 CJEE CCCCCCCCNC[C@@H]1CC(F)(F)C12CCC2 2266157372 DQFBTPLKGFGSID-AWEZNQCLSA-N 273.411 4.762 30 10 CJEE C[C@H]1CC(C)(C)C[C@@](N)(CC=CC#CC(C)(C)C)C1 2268766673 OOYVJAYFJLQICU-MAUKXSAKSA-N 261.453 4.526 30 10 CJEE CCCCCCCN(C)Cc1cc(OC)ccc1Cl 2268990762 YOYWDROOJKAHAG-UHFFFAOYSA-N 283.843 4.751 30 10 CJEE C=CCCCCCCCS[C@@H]([C@H](N)CC)C(F)(F)F 2271512665 AFILUPDWSXYOEW-OLZOCXBDSA-N 297.430 4.914 30 10 CJEE CC1CC2(C1)CC(Sc1c(F)cc(C#N)cc1F)C2 2273297273 YLYBHXIBWCERTC-UHFFFAOYSA-N 279.355 4.507 30 10 CJEE CC(C)(C)C1CCC(N)(C#CC2CCCCC2)CC1 2274003067 WFZMNNIOJGNRLS-UHFFFAOYSA-N 261.453 4.504 30 10 CJEE C=C(C)CCCC[C@@](CC)(OCCCN)C(C)(C)C 2276904488 FFDJLNWIZHVTMX-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCC[C@@H]1OC 2278239770 MMZNERYZCVLVID-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CC1(C[C@]2(C=O)CCCC(F)(F)C2)CC(C(F)(F)F)C1 2279193157 CWSMZZGARDJSAV-HTAVTVPLSA-N 298.295 4.750 30 10 CJEE CC1CC(CS)(CN(C)C2CC(C3CCCCC3)C2)C1 2280056868 MBAXYAJIKWERCQ-UHFFFAOYSA-N 295.536 4.623 30 10 CJEE C=CCOc1ccc(C(=O)CCCC[C@H]2C[C@H]2C)cc1 2280464905 DUKCFLARYGUYQD-ZBFHGGJFSA-N 272.388 4.651 30 10 CJEE CN(CC[C@@H]1CCCC12CC2)CC1(CS)CCCCC1 2281352115 MICLQOUKVIBMAT-INIZCTEOSA-N 295.536 4.769 30 10 CJEE C=CC1(CNc2ccnc(C(F)F)c2C)CCCCC1 2283186139 BLHBKQFSNRRLPL-UHFFFAOYSA-N 280.362 4.876 30 10 CJEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(CCC)cc1 2283483758 QHRLOQDCVFASDG-GOSISDBHSA-N 271.448 4.729 30 10 CJEE CCCc1ccc(CC2(C=O)CCC(CC)CC2)cc1 2283543601 PPZQEGMEFQSMKM-UHFFFAOYSA-N 272.432 4.967 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)C1CCCCCC1 2284085373 CZANKZNFDCYJAZ-GOSISDBHSA-N 275.480 4.931 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C[C@H](C)C(F)(F)F 2284163427 YGNOCQLLPDJCBN-KBPBESRZSA-N 289.385 4.549 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC12CCC2 2284172043 XUJMUPHQYGVBIO-DLBZAZTESA-N 273.464 4.541 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)CSC1CCCCC1 2284180734 WIHSQDNUEPMCDH-MRXNPFEDSA-N 293.520 4.636 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCCC12CC2 2284182159 ZZCJXVQBHFXHSV-DLBZAZTESA-N 273.464 4.541 30 10 CJEE CCCCCCC[C@](C)(N)c1c(C)cc(OC)cc1C 2285064880 LVATUSPFOYUXMW-SFHVURJKSA-N 277.452 4.846 30 10 CJEE C=C(C)CCCCC(=O)c1cccc2c1OC(C)(C)C2 2287378508 KVBDTBPGQYXDCF-UHFFFAOYSA-N 272.388 4.719 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](F)CC[C@H]1NC 2287396014 WLGZSDUZZXVJSI-GVDBMIGSSA-N 287.463 4.622 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(N(C)C)cc1 2287466658 QZQSIEKRTSAZKP-SFHVURJKSA-N 274.452 4.540 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)[C@@H](CC)CCC 2287718442 MLWQAKAYCSHLLH-OKZBNKHCSA-N 285.516 4.902 30 10 CJEE C=CCCCCCCCOC[C@]1(CC=C)CCCCN1 2287842165 YCMISKZEZBLFLQ-SFHVURJKSA-N 279.468 4.618 30 10 CJEE C#C[C@H](NCC[C@@H](C)CCCC(C)C)c1ccccc1 2287859347 OKVUJFBNELUBJJ-HKUYNNGSSA-N 271.448 4.803 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cccc(Cl)c1C 2289707859 AQRSJGMQMKHIQW-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1cc(C)cc(C)c1 2289714246 TUUOJBFGFJUTQW-LJQANCHMSA-N 269.432 4.538 30 10 CJEE CCCCCCCCCC(=O)c1cnc(C)c(OC)c1 2290125426 PJVQHRKGPALYNB-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CC1(C)C)OCC(=O)O 2290788584 IJSILXRSLYCXAN-HUUCEWRRSA-N 284.440 4.643 30 10 CJEE CCCCC#CC[C@@](CCC)(OCCCN)C(C)(C)C 2292584546 VKHZGZUXHGVUFE-GOSISDBHSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1ccc(Cl)o1 2292651385 ZMNOWDZMBGSZNC-CQSZACIVSA-N 299.842 4.866 30 10 CJEE C=C(C)CCCC[C@@](C)(CCC=C(C)C)OCCCN 2292790799 DWXVUGHFQGKFIA-SFHVURJKSA-N 281.484 4.993 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)ccc1F 2293268360 ITELJLBVQMQQDB-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1C=CCCC1)OCCN 2293360428 GSVSXGYJAFBVPA-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCCN)C1CCCCCCC1 2293690048 AYMMMJBWDWJPRW-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)CC1(C)CC1 2295530902 FZJBHHDIQIRZAS-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@H](C)N(C)CCCCC(=O)O 2295534571 SNQQRBTWNGGHDH-INIZCTEOSA-N 285.472 4.702 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnsc1COC 2295581878 XDULVECNWZTLJB-INIZCTEOSA-N 298.496 4.604 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1ccc(C)s1 2295688220 CMVHCOFVOLELRK-IAGOWNOFSA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@@H](C)NCC12CC(C)(CO1)C2 2295691036 HXGANIMAKNWMOF-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE C=CC[C@H](C)S[C@@H](c1ccc(C)s1)[C@@H](N)CC 2298894823 AZSNCZFFTLPASO-VHRBIJSZSA-N 269.479 4.533 30 10 CJEE C=C([C@H](O)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2302213988 ZWTKBKMOCJEWNM-LBPRGKRZSA-N 277.166 4.768 30 10 CJEE C=CCCCSc1cc(Cl)nc2ccccc12 2304029229 FNEZXTVRQFZVIN-UHFFFAOYSA-N 263.793 4.947 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(F)ccc1Br 2304048606 KLAGGJFAFQGTEL-AWEZNQCLSA-N 299.183 4.763 30 10 CJEE C=CCC(C)(C)C(=O)Cc1cc(Cl)cc(Cl)c1 2304086934 VVJSJENHCKLIFD-UHFFFAOYSA-N 271.187 4.707 30 10 CJEE Cc1ccoc1CSC[C@@](C)(CS)C(C)(C)C 2307092412 CLIUMXPCOYLMIB-CQSZACIVSA-N 272.479 4.803 30 10 CJEE CS[C@@H]1CC[C@@H]1OCCCCCCCCCS 2307306411 DGXNLCFJEQUJCQ-UONOGXRCSA-N 276.511 4.558 30 10 CJEE CCC[C@H](CC)CC1(C#N)C[C@@H]2CC[C@H](C1)S2 2307805200 BCHAXMDNYARKOV-RDGKXADDSA-N 251.439 4.771 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2CC[C@H]1C2 2312118207 WYOOHWSVZNVHJN-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=CC[C@H](C)S[C@@H](c1ccc(Cl)cc1)[C@@H](N)CC 2313524305 KAMWBRNRSPPWIP-CQDKDKBSSA-N 283.868 4.816 30 10 CJEE C[C@H](CCS)CCOc1cccc(C2CCC2)c1 2314784881 XQBAZJWJKVZFKH-ZDUSSCGKSA-N 264.434 4.679 30 10 CJEE CCCCCCCCC[C@](C)(O)C#CC1CCC1 2315702797 KHNKQRIHYRWSDV-KRWDZBQOSA-N 250.426 4.682 30 10 CJEE C=CCC(CC=C)[C@](CC)(CCCC)CNCC 2316734821 VZTGSMIDTVQVEC-QGZVFWFLSA-N 251.458 4.951 30 10 CJEE C=C(C)C[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2325262651 PKVHZPYOUSZSON-NSHDSACASA-N 290.209 4.619 30 10 CJEE Cc1ccc(C)c(OC[C@](C)(CS)C(C)(C)C)c1 2327100179 ORFUUCSXPWUNGT-MRXNPFEDSA-N 266.450 4.664 30 10 CJEE CCCCN(CCCC)C[C@](C)(CS)C(C)(C)C 2327103504 OTQAHRREESEEDC-MRXNPFEDSA-N 273.530 4.871 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@H]1CC[C@H]2CC[C@H]1C2 2327107848 ZUBLGNDDWHLQOX-HOSILWTGSA-N 270.482 4.564 30 10 CJEE C[C@H](OC[C@@](C)(CS)C(C)(C)C)c1ccccc1 2327165693 LTZMEZXAFVPWRU-BBRMVZONSA-N 266.450 4.746 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1CC2(F)F 2329136153 HXZYYPCHWYDFFX-ZQDZILKHSA-N 273.411 4.759 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@@H]1CCC[C@H]1C(C)C 2333170569 MHSBJSISHPCYIO-RCCFBDPRSA-N 263.469 4.621 30 10 CJEE O=C(C(=CO)N=Nc1ccccc1Cl)c1ccccc1 2333272794 XAYPKFPFJGFROM-UHFFFAOYSA-N 286.718 4.706 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@](C)(CC)C(F)F 2336609869 KDNSLHQNRLSYLQ-ZBFHGGJFSA-N 273.411 4.620 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](CCC)CC[C@H]1C(=O)O 2338701611 FVJORGYBXPUCIU-BMFZPTHFSA-N 264.409 4.672 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1(C(F)(F)F)CCCCC1 2338732211 GYYQZCWORNZNCJ-CYBMUJFWSA-N 276.342 4.629 30 10 CJEE C#CCCCCCCNCC=C(C)CCCC(C)C 2338859828 IJNSMJWGXTUDLJ-UHFFFAOYSA-N 263.469 4.932 30 10 CJEE CCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2339563386 BUUMSXBCLSGTHO-XHDPSFHLSA-N 296.241 4.694 30 10 CJEE C=C1CCC(C[C@H](CCC[C@@H]2C[C@@H]2C)NCC)CC1 2341488398 JKPNSZHZWKVNFW-JQHSSLGASA-N 263.469 4.927 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@H]1CC[C@@H]1C(C)(C)C 2343379290 OLOVZQQHFDFTHJ-NCOADZHNSA-N 261.453 4.632 30 10 CJEE C=CC[C@@H](C)[C@@H](CC(C)(C)c1ccccc1)NCC 2344384259 VUQAGMBNFJUQHW-NVXWUHKLSA-N 259.437 4.545 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1c(F)ccc(CC)c1F 2344420154 KKVCFFGGYZVLRU-MRXNPFEDSA-N 266.331 4.702 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CCC[C@H]1C(F)(F)F 2344469048 RPZVXSXZWFPWBE-SYQHCUMBSA-N 278.358 4.708 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1CCCC[C@H]1C(F)(F)F 2344476698 NCFXALIYUPHMQL-YNEHKIRRSA-N 278.358 4.708 30 10 CJEE CC1(C)CC2(C1)CC(C#N)(c1ccc(F)c(Cl)c1)C2 2344990613 GKAINDOISKVJBX-UHFFFAOYSA-N 277.770 4.841 30 10 CJEE CC(C)CCC[C@H](C)CCOC[C@]1(CS)CC1(F)F 2351885906 QTNVKPAHGKNITA-KBPBESRZSA-N 294.451 4.811 30 10 CJEE CCc1ccccc1COC[C@](C)(CS)C(C)(C)C 2352173769 LBHUQCFGOLZEMS-QGZVFWFLSA-N 280.477 4.748 30 10 CJEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CCCCO2)c1Cl 2353186792 SAEXHNBNGOQZCV-XHDPSFHLSA-N 298.213 4.868 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359122013 YENKDXNIHZUSPQ-MLHJIOFPSA-N 282.468 4.693 30 10 CJEE CCCCCCC[C@@]1(OCCN)CC[C@]2(C(C)C)C[C@H]12 2360131291 JUEQGIVGINFXMS-RCCFBDPRSA-N 281.484 4.517 30 10 CJEE C=CC[C@H](C)SCc1cc([C@H](C)NC)ccc1OCC 2360207091 FJTOIOFCNVWKEJ-KBPBESRZSA-N 293.476 4.564 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNC(C)(C)C)cn1 2360370961 IXEXRWRTUBNYIO-UHFFFAOYSA-N 290.476 4.583 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(C)=O 15121429 GWLGWWOKIBLQJF-UAVVEKLXSA-N 260.421 4.930 30 10 CJEE biogenic CC(C)Oc1cccc([C@@H](C#N)NCCC2=CCCCC2)c1 20176793 VQKMYVCMZJEACS-LJQANCHMSA-N 298.430 4.519 30 10 CJEE Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C#N)c1 36195137 ROLBBRQZCLPIFQ-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CC[C@@H](CC#N)Nc1ccc(Oc2ccccc2)cc1 36678740 BOGUQTKGGDXPND-AWEZNQCLSA-N 266.344 4.583 30 10 CJEE Cc1ccc2cccc(Oc3cccc(Cl)c3C#N)c2n1 49933805 FMXKTDITRSIPQB-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCCCCCCCOc1ccc(N)c2cnccc12 59266796 MKYLTGPBJUPSPF-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CCCCCCCN[C@H]1CCCC[C@H]1C(F)(F)F 59462165 TYJZGVCOBPAUER-OLZOCXBDSA-N 265.363 4.668 30 10 CJEE N/C(=N\c1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1 62989534 SPUPHKQIMMGPEP-UHFFFAOYSA-N 290.716 4.538 30 10 CJEE C=CC[C@@H](Sc1nc(C)c(C)o1)c1ccccc1 72262801 YJTPSNAOJAVABJ-CQSZACIVSA-N 259.374 4.701 30 10 CJEE CCC[C@H]1CCC[C@](C#N)(Nc2ccccc2)CC1 86949110 GPHNRXSFZFPEDV-RDJZCZTQSA-N 256.393 4.741 30 10 CJEE CC(C)[C@H](CS)COc1cc(Cl)ccc1Cl 87078045 LRVWQNWCNLEBKP-VIFPVBQESA-N 279.232 4.574 30 10 CJEE N#CC1(Cc2cccc(C(F)(F)F)c2)CCCCC1 87929914 RENAFSVNSOXMKE-UHFFFAOYSA-N 267.294 4.722 30 10 CJEE C=CCCC[C@@H](NCCC)C1CCC(CC)CC1 87938341 BLLGHWQILFSNKT-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=CCc1cc(N)ccc1OCc1c(C)cc(C)cc1C 89064710 ZXAVJMIGXZBQCJ-UHFFFAOYSA-N 281.399 4.502 30 10 CJEE C[C@@H](C[C@H](O)C1(C#N)CCC(C)(C)CC1)c1ccccc1 91884486 GTKNEBRNKKECJB-RDJZCZTQSA-N 285.431 4.651 30 10 CJEE C=C(CC)C[C@H](Cc1cccc(Cl)c1)NCCC 97208452 ZKQOOASDPWTODY-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(Cl)c1F 97208820 QZTZIHQFTRNSCX-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE C=C(CC)C[C@H](CSC1CCCCC1)NCCC 97208843 VAJFPEATJXKUJU-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE CCCCCCC(=O)[C@@H](C#N)c1ccc(F)cc1Cl 97469508 WJXRIPKPJAWDEI-ZDUSSCGKSA-N 281.758 4.626 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 103061097 GGQLGZGOZTYWTO-AWEZNQCLSA-N 282.811 4.944 30 10 CJEE C#CC[C@H](CCC)c1c(C)cc(OCCC)cc1C 107647560 KDZIWVXSVYVQFB-MRXNPFEDSA-N 258.405 4.999 30 10 CJEE CCCOc1c(Cl)cc(Cl)cc1CCCC#N 107657033 CYPSLOIJBSWJFL-UHFFFAOYSA-N 272.175 4.628 30 10 CJEE CCCCCCCCO[C@@H]1CCCCCC[C@H]1NC 110084079 NOKVLUCTWPUAMT-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCOc1cccc(CNCC(C)C)n1 110157844 KDMWFGBYDQIQMD-UHFFFAOYSA-N 292.467 4.567 30 10 CJEE C[C@@H](c1ccccc1F)N(C)c1ccc(Cl)cc1C#N 110258583 LXAHXTGXQUTPOJ-NSHDSACASA-N 288.753 4.548 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1ccc(C#N)cc1 110262784 NBRJXEUZHPQAFG-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CC[C@H](Cc1ccccc1)Nc1ccc(Cl)c(C#N)c1 116384015 DTDMVJBUDQOAKG-OAHLLOKOSA-N 284.790 4.645 30 10 CJEE CCCCCCCCO[C@H]1CCC(C)(C)[C@H]1NCCC 123878777 FJGUHLGPVPRXHU-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1COc2ccccc21 124657069 MAKVAAUTRSWCEF-SJORKVTESA-N 275.436 4.631 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cn(C)nc1CC 125957080 FPSMVZDWILLZSL-QGZVFWFLSA-N 280.456 4.547 30 10 CJEE CC[C@H](Nc1c(F)cc(C#N)cc1F)C1CCCCC1 126980490 YPZDHMHBHHFQOX-HNNXBMFYSA-N 278.346 4.607 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](OCC)C(C)C 128268743 QRWJDFNNYAKBKH-JKSUJKDBSA-N 257.462 4.516 30 10 CJEE CC1(C)CC(Nc2ccc(F)c(C#N)c2)CC(C)(C)C1 129714781 PTKPRQGXVNYYCC-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CC(C)(C)OC1(C)C 132936246 USROLVUASQHYMT-CVEARBPZSA-N 283.500 4.919 30 10 CJEE CCSc1cccc(Nc2ccc(OC)c(C)c2)c1C#N 136640337 UBHNKRJBPGOQCJ-UHFFFAOYSA-N 298.411 4.731 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cncs1 147647000 ASRLKEXFLYFXKQ-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE N#Cc1cc(F)cc(CNc2ccc(Cl)c(Cl)c2)c1 162896218 NVQLKYUTHQWPGL-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CC[C@@H](C)c2ccccc21 163865470 GGWPDRZHFRWTOY-AUUYWEPGSA-N 276.383 4.723 30 10 CJEE Cc1cc(C#N)ccc1Sc1ccc2c(c1)CCC2 203509427 IFHNSMTYZUOEJX-UHFFFAOYSA-N 265.381 4.507 30 10 CJEE CCCCCCCCC[C@H](O)c1ncc(Cl)s1 223148755 NUIPDXCSVNYDLH-NSHDSACASA-N 275.845 4.971 30 10 CJEE CC(C)Cc1ccc([C@H](O)[C@]2(C#N)CCC[C@@H](C)C2)cc1 227415332 FCWQWKHWONWKQK-AYOQOUSVSA-N 285.431 4.639 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1OCCC 228894472 LFLUVKFEYYPMDT-INIZCTEOSA-N 264.409 4.869 30 10 CJEE C#CCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 229643350 ADWHVGRVMULBKC-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(C2(C#N)CCCCCC2)C1 230794678 DPUBCYDZGLSNBQ-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE CCCCOc1ccc(C(=O)C2=CCCCCC2)cc1 232972315 YBZIPIWKDMINLZ-UHFFFAOYSA-N 272.388 4.939 30 10 CJEE C=CCCCCC[C@H](NC)c1ccccc1OC(F)F 234442555 REBMBQNJQAOGIV-AWEZNQCLSA-N 283.362 4.685 30 10 CJEE Cc1cccc(C(C)C)c1NC(=O)Nc1cccc(C#N)c1 244048230 TUKORQIZFRHCSZ-UHFFFAOYSA-N 293.370 4.634 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@H](C#N)c2cccc(Cl)c2Cl)C1 251741173 CTVYIMGHPNKSST-JTNHKYCSSA-N 297.229 4.536 30 10 CJEE Cc1cc([C@@H](CC#N)C2CC2)ccc1OCc1ccccc1 260564455 FHIJGZPAUNDGLQ-IBGZPJMESA-N 291.394 4.981 30 10 CJEE N#CCCCCSc1cc(Cl)cc(Cl)c1 308866249 QVVFILVOUISMEZ-UHFFFAOYSA-N 260.189 4.779 30 10 CJEE N#Cc1ccc(Cl)c(NCc2sccc2Cl)c1 310322850 VQPVNWGACMRUDB-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@]1(C=O)CCCc2ccccc21 316800341 RXSHCXGNWGFTFW-SUMDDJOVSA-N 270.416 4.676 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 320223401 UEGMRZOBOVURDI-ZWNOBZJWSA-N 255.283 4.605 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1onc(C2CCCCC2)c1C 331355009 QBRCYULFSDZBNU-GFCCVEGCSA-N 290.407 4.572 30 10 CJEE N#CC1(C[C@H](O)CC2CCCC2)CCCCCCC1 381666237 OQSQEDXOQAACNH-MRXNPFEDSA-N 263.425 4.572 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)C2(C)CCCCCC2)CC1 394680196 XYNBSCYYGMDORP-OAHLLOKOSA-N 277.452 4.818 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(C)cc(Cl)c2)C1 395081344 MFTPQURGRGSFHM-XOKHGSTOSA-N 291.822 4.792 30 10 CJEE CCCCCCCCCC[C@H](CCC1CC1)NN 395470258 BCJGWVIFEPEZSY-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Cl)ccc1C 395903671 NAUIEXKNGDQYDR-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE Cc1ccc(NC[C@@H](C#N)C(C)(C)C)cc1C(F)(F)F 397502581 AWXSENWDNVQMSK-LLVKDONJSA-N 284.325 4.612 30 10 CJEE CC[C@@H]1C[C@H](C)CN1CCCCCCCCCS 399680549 QARCLQSKDSFKRO-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE C=C(C)CON[C@@H](c1cccs1)c1ccc(Cl)s1 400951711 XVVHEWJTAZMBHV-ZDUSSCGKSA-N 299.848 4.650 30 10 CJEE C#CCCCCC[C@H]1CC(C)(C)CC[C@H]1CNC1CC1 686694747 DJEAABLHVDKQAA-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE C/C=C(/CC)C(=O)CC1(c2ccccc2)CCCC1 686735497 UJVMECHTJKQOPE-CQPUUCJISA-N 256.389 4.814 30 10 CJEE CCCC[C@](CC)(C(=O)O)[C@@H]1C[C@@H](CC)CC[C@@H]1C#N 691849621 VIFFFFHNDHTYQC-HWMZRRJGSA-N 279.424 4.624 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncccc1C(F)(F)F 692249983 BJVMYNLIKCQRQH-DGCLKSJQSA-N 284.325 4.647 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)cs1 692252108 MEDGFWUYCLWWQX-KBPBESRZSA-N 292.492 4.665 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1NCc1cc2cscc2s1 703308049 MECGIVSHQGFQCE-RISCZKNCSA-N 290.457 4.525 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@H]1COC[C@H]1C 705291709 PXXZJRVLMWNOSW-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)[C@H](C)CC(C)(C)C)cc1C 709114896 ZXBVRMXCROJAIO-ZBFHGGJFSA-N 271.404 4.552 30 10 CJEE C=CCCSCCN[C@@H](c1cccs1)C1CCCC1 710140169 LOWOLJSKLWVTOQ-MRXNPFEDSA-N 295.517 4.878 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC2(OC)CCCCC2)C1 710330253 RSOHUJZSRROWBO-JKSUJKDBSA-N 266.425 4.511 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(Cl)c(Cl)c1 710576266 WFNHTIKWCBUGBS-LBPRGKRZSA-N 278.610 4.787 30 10 CJEE C=C(CC)CC(=O)c1ccc(Cl)cc1C(F)(F)F 712542214 XMOOSVCOBLGUIW-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE C=CC[C@H](C)Oc1c(C)cc(CNC(C)(C)C)cc1C 715059726 KRSKNIDXSDKGCZ-HNNXBMFYSA-N 275.436 4.535 30 10 CJEE CCCCCCCOc1cccc(C(F)(F)F)c1N 717247713 ZXMZSLNBMJUTGG-UHFFFAOYSA-N 275.314 4.637 30 10 CJEE CCCCCCC[C@@H](CCCOCc1ccccc1)NC 719196741 CINQDOMIBAFPIC-IBGZPJMESA-N 291.479 4.932 30 10 CJEE CCCCCCCCCC[C@@]1(F)CC[C@@H](CN)C1 724063188 YTKBNOXWLJAHCK-HZPDHXFCSA-N 257.437 4.984 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cc(F)c(C)cc2F)CC1 724442823 GJQDMMIKZRJRIR-ZDUSSCGKSA-N 279.374 4.670 30 10 CJEE C=C1CCC(CN[C@H]2c3ccccc3CC2(C)C)CC1 724452062 VKMQVPVBLIAZOP-SFHVURJKSA-N 269.432 4.646 30 10 CJEE C=C1CCC(C[C@H](O)c2c(F)cccc2Cl)CC1 724551967 HQCCVUKJOJVQLJ-AWEZNQCLSA-N 268.759 4.649 30 10 CJEE C=C1CCC(C[C@H](N)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 724606395 HYJGNDBSUNVOTK-ZNMIVQPWSA-N 289.385 4.819 30 10 CJEE C=C1CCC(C[C@]2(CNC3CC3)CC[C@@H](C)C2)CC1 724611467 WXTKQRHKDCQXKJ-QAPCUYQASA-N 261.453 4.681 30 10 CJEE C=CCCCSCc1ccc(SC(=O)N(C)C)cc1 753126340 KNDKSDOHEXRIPR-UHFFFAOYSA-N 295.473 4.660 30 10 CJEE C#CCCOP(=O)(Cc1ccccc1)Cc1ccccc1 1088703974 SNBILXCHVIQELF-UHFFFAOYSA-N 298.322 4.705 30 10 CJEE C=CCC(CC=C)C(=O)N(C)c1ccc(C(C)(C)C)cc1 1125390396 WPVOHWKQJNPHBA-UHFFFAOYSA-N 285.431 4.715 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)c1csc2ccccc12 1134908115 GIFMNWPHLYWAGR-CHWSQXEVSA-N 287.428 4.681 30 10 CJEE C=CCC1(C(=O)N2CCC[C@@H](C/C=C\C)C2)CCCCC1 1169572167 FHELTPIRTQWMPY-MAVJXHJTSA-N 289.463 4.718 30 10 CJEE C#CCCCCCCS[C@@H]1CCOc2ccccc21 1188951864 HATUCPXOBVWZEQ-QGZVFWFLSA-N 274.429 4.827 30 10 CJEE C=CCCCCN1CCC[C@]1(C)Cc1cccs1 1198298638 AZVQWMBIYAGVKS-MRXNPFEDSA-N 263.450 4.501 30 10 CJEE C=CCC[C@@H](C)Nc1ccc2cc(OC)ccc2c1 1205755693 MOCUTBUNJCUTMK-CYBMUJFWSA-N 255.361 4.615 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H](C(C)C)CC1)c1ccccc1 1265230155 WTMWDQYFRVAIJQ-MSOLQXFVSA-N 299.458 4.631 30 10 CJEE C=CC[C@@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C 1270623638 XJQDKKRIEFQTTH-HZPDHXFCSA-N 293.838 4.551 30 10 CJEE C=CCC(C)(C)CNCc1ccc(F)c2ccccc12 1308415325 GDPLLUWKCYOMCA-UHFFFAOYSA-N 271.379 4.671 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 1348406008 RJDVVXCKFGCPKY-CQSZACIVSA-N 299.801 4.947 30 10 CJEE C=CCCCCCCNC(=O)CCc1cc(Cl)cs1 1436191785 XZJJLJJGKLWLSF-UHFFFAOYSA-N 299.867 4.587 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1cccc(OC(C)(C)C)c1 1439475854 SJICWKLZVLMKIU-CQSZACIVSA-N 290.403 4.509 30 10 CJEE C=C(CC)CN1CCC[C@H]1c1ccccc1C(F)(F)F 1460684202 DFEOADKWYZJSTM-HNNXBMFYSA-N 283.337 4.809 30 10 CJEE C=CC[C@H]1CC[C@H](NCCc2ccc3ccccc3c2)C1 1461162868 XZLLLZFRFQDVCY-JXFKEZNVSA-N 279.427 4.717 30 10 CJEE C=C(C)c1cccc(NCCc2ccc(F)c(F)c2)c1 1462647739 QOFISKARABIPJS-UHFFFAOYSA-N 273.326 4.653 30 10 CJEE C=CCCCC(=O)Nc1ccccc1Nc1ccc(F)cc1 1466419774 YQTLRAFUGLVILB-UHFFFAOYSA-N 298.361 4.864 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc(Cl)cc2Cl)C1 1473912519 PMFYPBRLQGHCQO-SWLSCSKDSA-N 298.257 4.870 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@H]2CC)cc1Cl 1474070256 KBGPMTATJLDEBB-ZBFHGGJFSA-N 293.838 4.573 30 10 CJEE C#C[C@@H](N[C@@H](C)CCC1CCCCC1)c1ccc(F)cc1 1474544524 QOTOZOTZLIAFPO-HNAYVOBHSA-N 287.422 4.839 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](C)c1c(C)cccc1C 1518648060 XGILCGBZQNQGPE-CQSZACIVSA-N 260.377 4.510 30 10 CJEE C=CCC1(CNC(=O)CC/C=C\c2ccccc2)CCCC1 1525698987 BAQVYIYSAFQJNW-SDQBBNPISA-N 297.442 4.733 30 10 CJEE C=CC1(CC(=O)Nc2nc(C(C)C)cs2)CCCCC1 1538102140 SDKZNWYFXHODCU-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C=CCC[C@H](CCC)NCc1ccc(C2CC2)cc1F 1560869924 UDEKGWVWNMUZNU-KRWDZBQOSA-N 275.411 4.928 30 10 CJEE C=CCC1(C(=O)Nc2ncc(CCC)s2)CCCCC1 1583692720 VKGMWTHGEMTCBH-UHFFFAOYSA-N 292.448 4.561 30 10 CJEE C=CCCC(C)(C)NC(=O)c1ccc([C@@H](C)CC)cc1 1586933112 NROIUYCLBAOXAU-AWEZNQCLSA-N 273.420 4.675 30 10 CJEE C=C(C)CCC(=O)N1[C@H](C)C[C@H](c2ccccc2)C1(C)C 1597976827 GKTWJYQIJAANEX-NVXWUHKLSA-N 285.431 4.526 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2)ns1 1612604290 PMHCIBQQUOPWEB-DZGCQCFKSA-N 299.443 4.752 30 10 CJEE C=CCC[C@@H](C)N[C@H](CCc1ccccc1)c1ccccn1 1621480985 TZHBTOVBBKDYOC-YLJYHZDGSA-N 294.442 4.700 30 10 CJEE C=CCC(CC=C)C(=O)N1CC2(CCCCC2)[C@H]1C(C)C 1626110780 FRZYHDMCNZURTF-QGZVFWFLSA-N 289.463 4.572 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCC)CC2CCCC2)C1 1628820380 LGHHUPOCMMXWKA-MSOLQXFVSA-N 291.479 4.798 30 10 CJEE C=C(C)CCN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 1641856923 XKFPGVWGRVTULO-AEFFLSMTSA-N 257.421 4.734 30 10 CJEE C=CCN(CCCOc1cccc(C(C)(C)C)c1)C(C)C 1644430497 NTEYUOVGHRXEDF-UHFFFAOYSA-N 289.463 4.649 30 10 CJEE C#CCN(Cc1ccc(Cl)cc1Cl)C1CCCCC1 1644483030 WLXMNWYWVAZUIS-UHFFFAOYSA-N 296.241 4.761 30 10 CJEE C=CCCCCCCCNc1ccc(F)cc1[N+](=O)[O-] 1651915588 VCSJEYINEKLLCL-UHFFFAOYSA-N 280.343 4.672 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H]1CCC[C@@H](C)C1 1652328415 AYRRHDCFERNWOH-CVEARBPZSA-N 275.411 4.640 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H]1CCc2cc(F)ccc21 1659031464 LHZWLSRGVHQSNX-RDTXWAMCSA-N 275.411 4.928 30 10 CJEE C=CCCC1(CN[C@H](C)CSCCC)CCCC1 1659649105 CRIQWWSJVWOQCY-OAHLLOKOSA-N 269.498 4.634 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1659832980 XXJJXQBLMRMASA-QXCFHYIPSA-N 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DNZDQOQSVGKRJS-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@]12COC[C@H](C1)C2 2295681959 LKLSCRGYWMOJKA-KURKYZTESA-N 281.484 4.532 30 10 CJEE CCCCCC#CC[C@H](NC)c1ccc2scnc2c1 2296090828 WOSQTVJHBPAZJQ-HNNXBMFYSA-N 286.444 4.531 30 10 CJEE CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(C)cc1 2297331323 NLLIEGDMPFTODE-UHFFFAOYSA-N 285.774 4.847 30 10 CJEE O=C1C(=Cc2ccc(Cl)cc2)CC[C@H]1C1CCCC1 2297334275 ZQIKDWRXSACIAJ-INIZCTEOSA-N 274.791 4.893 30 10 CJEE CC1CCC(CSCc2ccsc2C#N)CC1 2299022864 HNIUQSWIORCGHA-UHFFFAOYSA-N 265.447 4.679 30 10 CJEE C=CCC(CC=C)NCCc1cc(Cl)sc1Cl 2301014684 GLZSRLPHMPRPMB-UHFFFAOYSA-N 290.259 4.708 30 10 CJEE CCCCCCCC[C@]1(O)C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 2311073488 ZNPIDOPPWHFKMM-BIVLZKPYSA-N 250.426 4.534 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]12CCC[C@@H]1C2 2312623216 OSMXYSFPTKWZHH-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1N 2315459106 UEIUZFZIBJJUBP-NOZJJQNGSA-N 285.218 4.732 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc(F)c(C)c1Cl 2316748749 CUZVXRXWWVBQMD-OAHLLOKOSA-N 267.775 4.556 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@H](C)[C@H](C)C1 2321105124 MMGUPHSITYYURL-SIRPWMCASA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(F)c(Cl)c1 2321128239 QRMMRYWCNRBFKQ-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@@H]1CC(C)(C)[C@H]1C 2321130801 LYQRLMSXYXRWHE-RRFJBIMHSA-N 251.458 4.639 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1C[C@H]2CC[C@H](C2)C1 2327165641 LHUZDLADELMSKM-ORIJERBGSA-N 270.482 4.564 30 10 CJEE CC(C)c1ccc(C(=O)CON=C2CCCC[C@@H]2C)cc1 2329917610 IMLXPUDTDZMSAI-AWEZNQCLSA-N 287.403 4.575 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@H]2CCCCC[C@@H]2C[C@H]1NCC 2335194753 RNXIJRPFNRAZCA-NNXHMXCWSA-N 281.509 4.631 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1cccc(F)c1 2337106973 NVOVVQYZHJMCHJ-COXVUDFISA-N 261.384 4.611 30 10 CJEE Cc1nsc(Nc2cc(C3CC3)ccc2Cl)c1C#N 2338140432 AHKMKQYPHQXGES-UHFFFAOYSA-N 289.791 4.598 30 10 CJEE CC1(C)CCSC(=Nc2cc(C3CC3)ccc2Cl)N1 2338158536 DABMWSJEJGMEDY-UHFFFAOYSA-N 294.851 4.710 30 10 CJEE C=C(C)C[C@@H](NCC)c1cccc(C2CCCC2)c1 2341923857 RJBMYITYSQTXAA-GOSISDBHSA-N 257.421 4.961 30 10 CJEE C=C(C)CCC(=O)[C@@H](c1ccccc1)C1CCCC1 2342371077 RRKAFRXALHBFOW-SFHVURJKSA-N 256.389 4.886 30 10 CJEE C[C@](C#N)(CC[C@@H]1CC[C@@H]1C1CC1)c1ccccc1 2342554474 KKJMASJOFPJXJK-CGTJXYLNSA-N 253.389 4.684 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1CCCC(F)(F)C1 2344336800 LTUMFHZLWKXYHB-ZNMIVQPWSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc2ccccc2c1F 2344355366 GIVUJUQQRMUAHT-MRXNPFEDSA-N 257.352 4.581 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCC1CC(F)C1)NCCC 2344379009 HVFKJTQYJWJSEE-SJJHQCBESA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C2CC2)cc1 2344386407 WITGJDXTSDQBCJ-MSOLQXFVSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)C(=O)C[C@@H]1CC(C)(C)OC1(C)C 2344422448 YGCOOZIPJMAFHU-CXAGYDPISA-N 266.425 4.532 30 10 CJEE C=CCC(CC=C)S[C@@](C)(C(=O)O)[C@@H](C)CC(C)C 2351994299 DDUYSBAWINOAAD-XJKSGUPXSA-N 284.465 4.766 30 10 CJEE CC1CCC(CN(C)C[C@@](C)(CS)C(C)(C)C)CC1 2352076981 FPDKVUMQGQDLLP-DQPZFDDXSA-N 285.541 4.727 30 10 CJEE N#Cc1cnc(Oc2ccc3ccccc3c2Cl)s1 2353040160 OTPYZIXZTHFRER-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE CSc1cc(Oc2cccc(Cl)c2F)ccc1C#N 2353824413 LKQMDOMNRAGATK-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE CC(C)C[C@H](CS)CN1CCC(C)(C)CC(C)(C)C1 2353845914 QOOGBQYZWXOPJJ-HNNXBMFYSA-N 285.541 4.727 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C(C)C)OCCCN 2360053994 KUTRYQKEIHYPKZ-SQNIBIBYSA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)NCC1(c2ccccc2)CCCC1 2360212630 JBQNCLAJNOMXMY-UHFFFAOYSA-N 269.432 4.609 30 10 CJEE CCCc1ccccc1N[C@@H](CC#N)c1ccccc1 55018343 VVXGZNZLHKUBLH-SFHVURJKSA-N 264.372 4.706 30 10 CJEE C=CCNCc1c(OCCC(C)C)ccc2ccccc12 66115952 NPNUMAOUYRAWJE-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE CCCC1(CCC)CC(C#N)(c2ccccc2OC)C1 86541430 AOPBIQSMIZEGBF-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)CC1 86923102 ILRQOFDKRNRTBP-HZPDHXFCSA-N 286.419 4.750 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2cccc(Cl)c2)C1 91877708 RICNMLFXPJIQSD-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2ccc(Cl)s2)CC1 91883373 PXGKORRCBVUNBZ-AWAWDMARSA-N 283.824 4.545 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)CC(C)C 94581169 NIPJNZKRMCKEMK-HNNXBMFYSA-N 273.530 4.869 30 10 CJEE CCCCCCCCCCNC(=O)c1cccs1 109959311 XWFZWCIYBSHKPO-UHFFFAOYSA-N 267.438 4.619 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)CC1CCCCC1 110019728 AIVMCHGFZWANHY-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccc(CC)cc1 110083910 VRGMQUKFBCPNLB-IBGZPJMESA-N 291.479 4.887 30 10 CJEE CCCCCCCC(=O)CC(=O)c1sccc1C 112180521 MHQVTRHHYFJKBI-UHFFFAOYSA-N 266.406 4.559 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)N1CCCC1 118144790 BHBKXCDHFYZWIO-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCOCc1ccc([C@@H](C)CNCC)cc1 125753066 SYSMPWYXEAKQNV-KRWDZBQOSA-N 291.479 4.887 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@H](C)CCC 131280372 FNHLZBCATRBKSA-HZPDHXFCSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCO[C@H]1C 148286080 QFDIPGYFXPBREA-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CCCCCCCCCC[C@H](N)CC[C@H]1CCCO1 162314829 JDBUGCUSUXEDMB-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(F)cc1Cl 211888411 OQUFJMAFYUDNMS-CQSZACIVSA-N 295.785 4.872 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1cc(Br)cc(C#N)c1 227620879 ZGFUJQJACBYIPF-GHMZBOCLSA-N 295.224 4.557 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC(C)C)C2CCCC2)C1 228376494 RRSGUAZJZUOAEF-RYRKJORJSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@@](C)(O)c2cc3ccccc3s2)C1 229461927 XSWUDEYJHYVWCJ-JEBQAFNWSA-N 299.439 4.829 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1cc(Cl)sc1Cl 229915524 RZFPAPBOFHUHEY-RKDXNWHRSA-N 276.232 4.507 30 10 CJEE CCCCCCCCC[C@H](O)CCC(C)(C)OC 230991235 LLSQEAZFLUCTHS-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@@H](C)[C@@H]1C 232975397 PJSAPHFGKMKHPS-FGTMMUONSA-N 282.516 4.575 30 10 CJEE Cc1cccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1C#N 236010984 CLBRXDQQFCHQBF-BZUAXINKSA-N 268.404 4.638 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C)CC[C@H]1NCCC 250834369 SYCWCIVWAYVCJV-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CCC[C@H](SC[C@H](C#N)c2ccccc2)C1 251938289 VVYKAHFXPIFFJG-KBMXLJTQSA-N 259.418 4.606 30 10 CJEE C[C@H]1C[C@H](OCCCCCCCCCS)C[C@@H](C)O1 252938943 AORAJKBYDRWZKU-MUJYYYPQSA-N 288.497 4.620 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)C[C@H]2CC[C@H]1C2 300515159 APDBNDSCWDZYNF-XSLAGTTESA-N 277.452 4.818 30 10 CJEE C[C@@H](SCc1ccccc1)c1ccc(C#N)cc1 303661040 DHKCGRLXFGLFNV-CYBMUJFWSA-N 253.370 4.553 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CCOc3ccccc32)C1 312475289 GKWRTYZGKBPDTC-RKVPGOIHSA-N 269.388 4.663 30 10 CJEE C=CCCCN[C@H](C)C(c1ccccc1)c1ccccc1 314480696 KIDAMDHAOBTILA-QGZVFWFLSA-N 279.427 4.763 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2c(C)cc(C)cc2C)C1 316773748 FEKRUTONPMVLTE-IEBWSBKVSA-N 272.432 4.940 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCCC2(F)F)C1 382025933 BJZUVUVNERXTTI-RDBSUJKOSA-N 255.352 4.922 30 10 CJEE CCCN[C@@H](C)c1cccc(SCCCCCC#N)c1 385190849 CVARDQBFGRVEHB-HNNXBMFYSA-N 290.476 4.923 30 10 CJEE CCCCCCCCCCNC1(CC)CCOCC1 389339001 RSINOIXNNKULHS-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE C[C@@H]1CCC[C@]2(CS/C(=N/CC3CCCCCC3)N2)C1 389582438 MBULOXHZEKRDKS-RHSMWYFYSA-N 294.508 4.598 30 10 CJEE N#CCc1c(C(F)F)sc2cccc(Cl)c12 396183732 AMHNMTGQOWUCOF-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(Br)oc1C 396530322 KCZCEKXQTOJWKX-GFCCVEGCSA-N 287.197 4.520 30 10 CJEE CCCCCCCOc1ccc(Cl)c(F)c1F 396722888 RLIXNIHDWMWNCH-UHFFFAOYSA-N 262.727 4.967 30 10 CJEE C#CCCCCC[C@@H](N)C1CC(C)(C)CC(C)(C)C1 686702918 RMCAQLMNFYZVKO-MRXNPFEDSA-N 263.469 4.750 30 10 CJEE C[C@@H]1CC(/N=C2/NC3(CCCCC3)CCS2)C[C@H](C)C1 687319709 GYEILLBDXMUTEP-YIONKMFJSA-N 294.508 4.597 30 10 CJEE N#Cc1cc(Cl)nc(Nc2ccc(C3CCC3)cc2)c1 690248997 GUPCFINDKHWEGZ-UHFFFAOYSA-N 283.762 4.618 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C=O)CCC[C@@H](C)C1 691806273 HPVKHMNFPVHVBB-TZMCWYRMSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1[N+](=O)[O-] 692250484 FRWJNDBNCFVMFR-DGCLKSJQSA-N 294.782 4.795 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCC[C@@H](C(C)C)CC1 701854645 AKYQMHAIOSAUQA-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1COC[C@H]1C 705220788 ZHSNFGDRAPTLMH-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cccc2ccsc12 709970891 GVXBAKRESFMCIW-NSHDSACASA-N 258.390 4.642 30 10 CJEE C=C(Cl)C[C@]1(CNCC(C)C)CCc2ccccc2C1 710636365 XMHGYYPINWIBEG-GOSISDBHSA-N 291.866 4.550 30 10 CJEE C=CCC1(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 712983607 MIHKPDKXHRFQMR-KGLIPLIRSA-N 289.385 4.834 30 10 CJEE C=CC[C@@H](C)C1(C(=O)O)CCC(C(C)(C)C)CC1 715045221 FBKCCTRVNCIQCI-VEAWUBTESA-N 252.398 4.506 30 10 CJEE CCCCCCCC[C@H](O)CC[C@H]1C[C@H]1C1CC1 715522425 AIZOIJRJPDWDMN-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 715720124 LJLRCICCFOOGKQ-UZLBHIALSA-N 295.426 4.738 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc2c(s1)CCCCC2 715812753 HUGGHIDPWFLZRM-DYVFJYSZSA-N 277.477 4.880 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccns1 716029670 JNBRPDOUGRTZQP-CHWSQXEVSA-N 254.443 4.543 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC3(CCC3)CO2)CC1 716307067 XTTJGYKFYAGZMO-PQUAAJSLSA-N 278.436 4.511 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 716939376 JWZQDYZJFZKRLZ-BSDSXHPESA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@]1(N)CCO[C@H](C(C)(C)C)C1 721504477 MPJWAJNWSCBVJN-RDJZCZTQSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@]1(O)CC[C@@H]2COCC[C@@H]2C1 723631220 FTJPWCYHHSNRKE-KURKYZTESA-N 282.468 4.695 30 10 CJEE C=C1CCC(C[C@@H](O)c2csc(C)c2C)CC1 724576703 JHAZSRGHRVOYRR-OAHLLOKOSA-N 250.407 4.535 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H](C)CC(C)(C)C)CC1 724605868 CXMDLGUETUTGAO-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@@]2(CNC3CC3)CC[C@@H](C)C2)CC1 724611465 WXTKQRHKDCQXKJ-CRAIPNDOSA-N 261.453 4.681 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 1126397792 CSGIHPOTZKYAQW-CQSZACIVSA-N 293.838 4.648 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H](C)CC2CCCC2)CCCC1(C)C 1128573981 KQTMQCRBUVWNAI-RDJZCZTQSA-N 291.479 4.796 30 10 CJEE C=CCCCCCCCNC(=O)c1c(C)cccc1Cl 1129580083 FFCJGIYPVSWGJP-UHFFFAOYSA-N 293.838 4.905 30 10 CJEE C=CCCN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C 1175410784 OEDSJAZOEUONDJ-OAHLLOKOSA-N 297.364 4.849 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCC(C)(C)C2)cc1Cl 1178209530 WLFKDZQDFGYKNN-CQSZACIVSA-N 293.838 4.573 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cscc1Cl 1178939331 BMZYZILDHMTGOC-HNNXBMFYSA-N 291.847 4.679 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCC(C)(C)C2)c(Cl)c1 1184098222 UVQQWYVBMAPENV-CYBMUJFWSA-N 261.796 4.702 30 10 CJEE C=CCCCCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 1191212580 BCEHXFNRBGLVIQ-RBUKOAKNSA-N 271.448 4.919 30 10 CJEE C=CCCCN[C@H](c1ccc(C(F)(F)F)cc1)C(C)C 1192574509 GERHZBVBWWJYRF-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE C=CCC1(NC(=O)OCc2ccccc2C)CCCCC1 1211861196 ALGBCANFAABXMN-UHFFFAOYSA-N 287.403 4.500 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)c1ccccc1Cl 1307949491 GIFSJWASTXYRLO-MCIONIFRSA-N 261.796 4.584 30 10 CJEE C=CCC1(NC(=O)C2CCC(C)(C)CC2)CCCCC1 1436260606 IKZWRMRWCYXZCL-UHFFFAOYSA-N 277.452 4.598 30 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297.442 4.638 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)CCCCCC)c1ccccc1 1540574070 BEGREDZVXOIGAW-IRXDYDNUSA-N 287.447 4.821 30 10 CJEE C=C[C@](C)(CC)C(=O)NCc1ccc(C2CCCCC2)cc1 1544241476 UEDFAUYHDTXCDE-HXUWFJFHSA-N 299.458 4.953 30 10 CJEE C#C[C@H]1CC[C@H](Nc2nc3c(C)cc(C)cc3s2)CC1 1559271566 LFTWYCJHAVRCDZ-HDJSIYSDSA-N 284.428 4.517 30 10 CJEE C=CCCCN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 1560804237 WLLVSQLWBZNQOK-JKSUJKDBSA-N 297.364 4.897 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)C[C@@H](CC)c1ccccc1 1567814419 IXEKDGKSOHTREA-QGZVFWFLSA-N 287.447 4.631 30 10 CJEE C=CC(C)(C)CC(=O)O[C@H](CC)c1ccc(F)cc1F 1583886451 DWFBBTQRHRRHBF-CQSZACIVSA-N 282.330 4.561 30 10 CJEE Cc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614731251 SFXAWLWJAXATLO-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=C(C)c1cccc(NC(=O)c2c(C)cccc2C)c1 1627394860 JXRBAUYFURSNKR-UHFFFAOYSA-N 265.356 4.589 30 10 CJEE C=CCCCN(C1CC1)[C@H](C)c1ccccc1Cl 1641707296 IRKZICJYVCZGAA-CYBMUJFWSA-N 263.812 4.832 30 10 CJEE C=CCC[C@H](NCc1ccc2c(c1)COC2)c1ccccc1 1642481705 JNBQWYAFFULTCJ-FQEVSTJZSA-N 293.410 4.514 30 10 CJEE C=C(C)CCN1CCc2cc(Cl)c(Cl)cc2[C@H]1C 1645020437 FTHKKHXUOANPBY-LLVKDONJSA-N 284.230 4.879 30 10 CJEE C=CCCN(Cc1cc(F)ccc1C)OCc1ccccc1 1645341119 OQWCKUGLNDZDOJ-UHFFFAOYSA-N 299.389 4.644 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCCc2csc3ccccc23)C1 1649160891 HNDHBSMIEOMSSR-GDBMZVCRSA-N 285.456 4.778 30 10 CJEE C=CCCc1ccccc1N[C@H]1CC[C@H]1C1CCC1 1652282608 OISMGBDDGGUHQP-WMZOPIPTSA-N 255.405 4.796 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc2c(OC)cccc12 1655985300 CUVRSFWXNWXNBW-OAHLLOKOSA-N 283.415 4.683 30 10 CJEE C=C[C@H]1CCCCN1C[C@@H](C)c1ccc(C(F)(F)F)cc1 1659040559 NHIYJERPKAERNL-CJNGLKHVSA-N 297.364 4.849 30 10 CJEE C=CCCc1ccccc1N[C@@H]1C[C@@H](OC(C)C)C1(C)C 1659572529 WQZOSLYEYYXRBS-QZTJIDSGSA-N 287.447 4.809 30 10 CJEE C=CCC(C)(C)CNC[C@@H](CCC)c1ccccc1 1662527635 OJVCWIHHMNTEMS-QGZVFWFLSA-N 259.437 4.762 30 10 CJEE C=C[C@H]1CCCCN1C(=O)Nc1cc(C)cc2ccccc12 1671510973 UGAMMDRZZVJJEE-INIZCTEOSA-N 294.398 4.721 30 10 CJEE C=CCCC(C)(C)CNC(=O)NC1(CC=C)CCCCC1 1675070921 QGZXTLLZSRNPIK-UHFFFAOYSA-N 292.467 4.557 30 10 CJEE C=CC[C@H](C)NC(=O)N[C@H](CCCCC)c1ccccc1 1676967485 IZKDCBITVUNGJB-DOTOQJQBSA-N 288.435 4.572 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1OCC=CCS 1877049419 PFDNMSVDBKJZKW-UHFFFAOYSA-N 270.825 4.637 30 10 CJEE CC1(C)CC[C@](C)(Nc2cc(Cl)c(F)cc2C#N)C1 1878912455 RDTVKOCVTYXVQS-HNNXBMFYSA-N 280.774 4.731 30 10 CJEE CCCCC[C@@H](CC)N=C1N[C@@H](C2CCCC2)CS1 1879352956 JHSXKIUWPLJPCA-HUUCEWRRSA-N 282.497 4.597 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCCCC(F)(F)C2)CC1 1884408182 VDFFOKLPBVVQJO-HNNXBMFYSA-N 271.395 4.633 30 10 CJEE C=CC[C@H]1CCCCN1Cc1ccc2sccc2c1 1884697733 JVJNZXNSYLYUOB-INIZCTEOSA-N 271.429 4.832 30 10 CJEE CC#CCCCC[C@H](CC(C)(C)C(F)(F)F)NCC 1885226257 BSSRVJSRSHKTHD-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE CCCCCCCN(C)c1cc(Cl)c(C#N)cc1F 1887060673 HFIQUDKMIYKHIV-UHFFFAOYSA-N 282.790 4.757 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ccc(Cl)o1 1888681283 CROMDYBSJRNOPN-INIZCTEOSA-N 275.779 4.687 30 10 CJEE C=C(c1ccccc1)[C@]1(O)CCCCC[C@H]1C(C)C 1888719913 XOHKOBDYILKDPZ-ZWKOTPCHSA-N 258.405 4.667 30 10 CJEE C=C[C@H](N[C@@H]1CCCC2(CCCCC2)C1)C1CCC1 1892935180 VPAYJHDVRCCVHV-SJORKVTESA-N 261.453 4.824 30 10 CJEE C=CC[C@@H](C)Sc1ccc(Br)cc1C(C)=O 1899386099 BWLZSBXHCOFTAO-SECBINFHSA-N 299.233 4.708 30 10 CJEE CC[S@@](=O)(=NCCCCCCCCCS)C(C)C 1913879492 DTLGFRJNACHYNO-SFHVURJKSA-N 293.542 4.543 30 10 CJEE CCC1(CC)CCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 1915022020 IBHIDTDXRGRZKG-ARFHVFGLSA-N 276.468 4.605 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)CCCCCC1CC1 1920350766 AZKAIEMCOOSPDV-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE C=C([C@H](NCC)[C@@H]1CCCc2sccc21)[Si](C)(C)C 1922870891 WDSYWHHBLSIMEI-ZBFHGGJFSA-N 293.552 4.580 30 10 CJEE CCCCCCC[C@@](C)(CNCCOC)C1CCCC1 1924126277 QELGTSJDHNBDAK-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H](C)C1CCCCC1 1924140886 CNNNYZCPCZEMEQ-DOTOQJQBSA-N 268.489 4.785 30 10 CJEE CCOc1ccc(Cl)cc1C(=O)C=Cc1cccs1 1951318752 HBVKNTBZUIOITF-UHFFFAOYSA-N 292.787 4.696 30 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C=CC1(CNC[C@H]2C[C@H]3CCC[C@H](C3)C2)CCCC1 2225339846 HAGFFNIQTAIPKC-BJWYYQGGSA-N 261.453 4.539 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C[C@@H](CC)C(C)(C)C 2225438017 AWQOZRONDFEFMI-CVEARBPZSA-N 265.485 4.867 30 10 CJEE C#CCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2225669628 XKWDTSLNBSISJM-HNNXBMFYSA-N 298.257 4.708 30 10 CJEE CCCCCCCCC[C@H](CC[C@H]1C[C@@H]1CC)NN 2228225844 NGGGWYNDURDMSS-YESZJQIVSA-N 268.489 4.785 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NC 2230659634 CYBWOLHFQOFCRM-FLXSYLCISA-N 263.469 4.783 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(F)c(C)c1F 2231030707 NEVGLXFJANUETF-HNNXBMFYSA-N 269.379 4.894 30 10 CJEE C=C[C@@H](CCCCC)OCC(=O)c1cccc(Cl)c1 2231035083 WTJFPEIQUWRBCZ-HNNXBMFYSA-N 280.795 4.674 30 10 CJEE C=CCC[C@H](C)C(=O)Cc1ccc(C(C)(C)C)cc1 2231534529 IZTBIKJFNJZPSY-AWEZNQCLSA-N 258.405 4.698 30 10 CJEE CC[C@H]1CC[C@](C=O)(CCC2CC(OC(C)(C)C)C2)C1 2232966479 ZYYVESQSWLZIBM-USSHROBNSA-N 280.452 4.756 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H]1CCCCC(F)(F)C1 2233780968 DKSSPHKKPGYTHK-GJZGRUSLSA-N 285.422 4.620 30 10 CJEE C=CCCCCCCC[C@]1(N)CCO[C@H](C(C)(C)C)C1 2235518855 KPVBVSRLMMQKFS-WMZOPIPTSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1NCCC 2235533201 SAMWRLHNHSKGTQ-MBOZVWFJSA-N 299.439 4.894 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2238528514 QSJVWBUZTJDGRO-AYQHUXHQSA-N 295.492 4.604 30 10 CJEE CCCCCCCCCO[C@H]1CC[C@@H]1CNCC(C)C 2239467156 GRNOJPDXQACHJM-MSOLQXFVSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCCOCc1nccc(N)c1C 2239485433 WVONRWACMGJKAI-UHFFFAOYSA-N 278.440 4.630 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)CCC1(C)CC1 2239560323 AIWQBUQCZMRPQU-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cc(C)cc(OC)c1 2240616023 LNVKCKGTMCZYHW-GOSISDBHSA-N 278.436 4.962 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1C[C@@H]2CC[C@H](C1)O2 2240622269 RENHLEJRCUWTHR-FJIDUMEYSA-N 282.468 4.836 30 10 CJEE CCCCCC[C@H](C)OCC1(CS)CC(C)C1 2246833952 UIHSQPJZLFVELO-SLTAFYQDSA-N 258.471 4.708 30 10 CJEE CCCC#CC[C@H](O)c1cc(Cl)c(Cl)cc1C 2249728928 BXPHUDPZDVTCCF-AWEZNQCLSA-N 271.187 4.529 30 10 CJEE C=C([C@@H](O)c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2249737076 UDOMOJJNHZKDQV-CYBMUJFWSA-N 273.203 4.938 30 10 CJEE C[C@@H]1CC[C@H]([C@@H](C#N)c2ccc(Br)c(F)c2)C1 2250027716 QNHMFUDKDGWDOB-JFGNBEQYSA-N 296.183 4.632 30 10 CJEE C=CCCCS[C@@H](C)C(=O)c1ccc(Cl)cc1 2250039920 TTZCWVKSLAXLQQ-NSHDSACASA-N 268.809 4.611 30 10 CJEE CCCCCCCCC[C@]1(C)NC(C)(C)CS1 2252953177 OBNDCNBAQQGKSQ-OAHLLOKOSA-N 257.487 4.958 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccc(Cl)nc1Cl 2258718842 CEYSBSLNNDSEEZ-HZMBPMFUSA-N 283.202 4.651 30 10 CJEE C=CCC[C@@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2261428509 QYHLEMGMGIJANB-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(C(F)(F)F)s1 2263309353 DUWOQLIDDYYDSU-SNVBAGLBSA-N 278.339 4.937 30 10 CJEE C=C[C@H](C)C[C@H](CC1(C)CC(C(F)(F)F)C1)NCC 2264800969 ARLPSNBOAQPFJK-RJZJGCCBSA-N 277.374 4.545 30 10 CJEE Cc1ccsc1[C@H](C)Nc1cc(C)c(C#N)c(C)c1 2265859902 NIYGUGOZRNEWGR-ZDUSSCGKSA-N 270.401 4.718 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)CCC1CCC1 2268820702 CCVZRDJSWWKUDA-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(OC)ccc2Cl)C1 2268973627 AUBRKHNGJHGRCL-BLLLJJGKSA-N 277.795 4.611 30 10 CJEE C=C(C)CCCC[C@@H](N)c1cccc2c1CCCC2 2271833581 RQVPIUJIOHJOCT-GOSISDBHSA-N 257.421 4.702 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(OC(C)C)cc1 2271835976 ANKRORNVDBEYAE-KRWDZBQOSA-N 262.393 4.644 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)(C#CC2CCCCC2)C1 2273902000 OYVJKTKFIZCXBY-ROUUACIJSA-N 262.437 4.538 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccccc1Cl 2273998540 IMGRWTGALNQCSW-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](N)CC#CC2CCCC2)CC1 2274119531 ACZIYCSAQKPRMV-KBAYOESNSA-N 261.453 4.504 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(C)c(C)s1 2274126455 CLRUFILIFBBFKF-INIZCTEOSA-N 275.461 4.599 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)sc1C 2276072034 QPDFKQNJLCKKMA-INIZCTEOSA-N 283.481 4.742 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@@H](C)C(C)(C)C 2276159260 RBKRFJVJWZAZSR-CVEARBPZSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@@H](CCC1CCC1)OCCCN 2277038506 VMKXWCWIIJEXGZ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCN[C@@H]1C(C)C 2279400221 FZYLEXGEZUQUTN-SJLPKXTDSA-N 281.484 4.720 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C#N)CCc2ccccc2C1 2280453600 WZDFMJFOFOQRDX-AYBZRNKSSA-N 267.416 4.902 30 10 CJEE CCCCC#CC[C@@H](NCC)c1cc(OC)ccc1Cl 2283344672 AANXASWZFFMWGW-QGZVFWFLSA-N 293.838 4.583 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](N)c1c(C)sc(C)c1C 2283723931 YRKJPNNFDSMKGV-DLBZAZTESA-N 297.508 4.785 30 10 CJEE CC[C@](C#N)(CCCSC[C@H]1CC[C@H](C)C1)NC(C)C 2284037829 HHJSRJJKIOSJIR-YESZJQIVSA-N 296.524 4.606 30 10 CJEE CC(F)(F)c1ccnc([C@]2(C#N)CCCCC2(C)C)c1 2284105305 MHDJZPXSRZAYQO-MRXNPFEDSA-N 278.346 4.555 30 10 CJEE CCC1(CC)CCC(NCC=CC#CC(C)(C)C)CC1 2284184828 JRKGJAOBJSBUQN-UHFFFAOYSA-N 275.480 4.931 30 10 CJEE C=C(C)CCCC[C@@H](NC)C1(O)CCCCCCCC1 2287387562 ICENXTVFNOMRKT-QGZVFWFLSA-N 281.484 4.576 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1CC(F)(F)C12CCC2 2287415861 WKTDKNZDUSIQTA-LSDHHAIUSA-N 285.422 4.927 30 10 CJEE CCCC1CCC(N(C)C[C@@](C=O)(CC)CCC)CC1 2287707480 UPGMTBROHGRSRP-DAWZGUTISA-N 281.484 4.673 30 10 CJEE C#CC1(NCCCC2CCCCC2)CC2(CCCC2)C1 2288183255 AVYGYKKFDDHOLR-UHFFFAOYSA-N 273.464 4.663 30 10 CJEE O=C(C#CC1CCCC1)c1cccc(SC(F)(F)F)c1 2289675536 ZMQLGIUVJCWSGU-UHFFFAOYSA-N 298.329 4.675 30 10 CJEE CCCCCCC[C@@H](CCCC(F)(F)F)OCC(=O)O 2290878093 TYJTUDMJTGURHB-LBPRGKRZSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)C1(CC)CCC1 2290917286 HDPKUDBSWSHGON-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC1(OCC(=O)O)CC(C)(CC)C1 2292429117 RAOSCNBWMHKSAQ-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCC[C@H](CCCCCC)OCCC(=O)O 2292702067 OPKWVLAQPRXNGA-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCCC[C@@H](CC1CCCCC1)OCCN 2292803776 PXTYAMSTNXJLIU-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@](C)(CC1CC(F)C1)OCCN 2292958268 AHLBKGTWZWOSHX-OFLPRAFFSA-N 287.463 4.609 30 10 CJEE C=C([C@@H](CC1CCCCCC1)OCCCN)[Si](C)(C)C 2293321041 BFTBOGMBHBIPCQ-QGZVFWFLSA-N 297.559 4.515 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)ccc1F 2294032952 OBWBNVIDAHNVLU-MRXNPFEDSA-N 299.817 4.632 30 10 CJEE COc1ccc2cc(C(=O)C=Cc3ccc(C)o3)ccc2c1 2295148226 GQCKAJCHFXQXBQ-UHFFFAOYSA-N 292.334 4.646 30 10 CJEE N[C@@]1(C#Cc2ccccc2Cl)CCCCC12CCCC2 2295226693 NDGAXXVZJOBRQS-GOSISDBHSA-N 287.834 4.523 30 10 CJEE Cc1cc(C(F)(F)F)sc1CNc1cccc(C#N)c1 2295247463 IWVCXHWCSGCYHY-UHFFFAOYSA-N 296.317 4.559 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCCC[C@H](N)C1 2295538705 MVXOIRRXWRBSCQ-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC[C@H]1C[C@H]1C 2295603109 JFVLQRMNWMVUOF-RYRKJORJSA-N 282.468 4.883 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)cc1Cl 2304041352 NEYOTHWIHSAZTL-KGLIPLIRSA-N 272.219 4.986 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2C[C@@H]21 2308626123 OVDLAGJXXYJBFC-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE C=CCC[C@H](C)[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2309180621 GSEXSRIAYHILGH-SMLCLMEVSA-N 250.426 4.556 30 10 CJEE O=C(C=Cc1cocn1)c1ccc(C2CCCCC2)cc1 2311234159 WOPUTXKCZUZTPT-UHFFFAOYSA-N 281.355 4.618 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)C)c(Cl)c1 2313699518 SLOAKWFSBNMLCW-LBPRGKRZSA-N 283.868 4.895 30 10 CJEE CCCCCCCCCNCC[C@@H]1CCC1(F)F 2313722587 NGZOAUGUCRVPJX-AWEZNQCLSA-N 261.400 4.762 30 10 CJEE Cc1c(Cl)ccc(Nc2cccc(C#N)c2)c1Cl 2317842277 QENAEHLZGRTICA-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CN(CCCCCCCS)C[C@@H]1CCC(C)(C)C1 2319843132 HMYCBSAWBUQUBD-OAHLLOKOSA-N 271.514 4.625 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(CCC)s1 2321098044 HBVQAPAKFCYQOW-CJNGLKHVSA-N 265.466 4.954 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Cl)cc1 2321103329 YSPQOBGRTQHMMA-CVEARBPZSA-N 265.828 4.983 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(F)c1Cl 2321126793 DALPZNGOMHVIGO-GJZGRUSLSA-N 269.791 4.732 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@]1(C)CCCC1(F)F 2321237390 MFHLTRFTZPQKIR-HZSPNIEDSA-N 260.368 4.555 30 10 CJEE CCn1cc(C=NNc2ccc(Cl)cc2)c2ccccc21 2322953261 UWZACJLLAZAHRC-UHFFFAOYSA-N 297.789 4.761 30 10 CJEE CC(C)(C)C1(C)CC(C#N)(c2ccccc2Cl)C1 2327118890 MJKQRFFALFRIKZ-UHFFFAOYSA-N 261.796 4.948 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1C[C@@H](C(F)(F)F)C1 2327672444 DXKHZOMVRZAZFB-FRRDWIJNSA-N 265.363 4.523 30 10 CJEE C=CCC(CC=C)n1c(S)nc2cc(F)c(Cl)cc21 2335097571 ZPNPERJOIQTDNQ-UHFFFAOYSA-N 296.798 4.811 30 10 CJEE CCCCCCCC[C@H](N)c1ccncc1C(C)C 2338607607 WIBNUQWYZZOJNZ-KRWDZBQOSA-N 262.441 4.955 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@@H]1CCCC(F)(F)CC1 2338750014 OKLDANLDSKYLLD-CABCVRRESA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C(C)(C)CC(F)F 2338751033 YJMYHBKXXQPOPY-OAHLLOKOSA-N 273.411 4.804 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2339044380 IVDNONGIXAFSTE-ICUGJSFKSA-N 262.437 4.988 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]3C=C[C@H]2CCC3)CCC(F)(F)C1 2339249917 GCSLRVMZJLDGSE-APIJFGDWSA-N 265.347 4.698 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CC(C)(C)Cc1ccccc1 2339401905 IAGAUFAIGFXQQJ-QAPCUYQASA-N 258.405 4.651 30 10 CJEE CC#CCCCC[C@@H](CCC1=CCCCC1)NCC 2340300142 WPGCTXKIPMGPAN-SFHVURJKSA-N 261.453 4.829 30 10 CJEE C[C@H]1C[C@H]1CCCCNc1cc(Cl)c(F)cc1C#N 2341418039 IBFCASJLSBIRQU-WDEREUQCSA-N 280.774 4.589 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@H]2C[C@@H]21 2341991427 QFPPMEULVOBIQN-SOUVJXGZSA-N 273.445 4.955 30 10 CJEE CC#CCCC[C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C 2343215482 MJPIGLIBHIWDQM-BBWFWOEESA-N 263.469 4.621 30 10 CJEE C=C([C@@H](NCC)c1cccc(C(C)C)c1)[Si](C)(C)C 2343619027 SYMNPYVYBAZACJ-QGZVFWFLSA-N 275.512 4.894 30 10 CJEE CCCCCCCCC[C@H](N)C1(C(C)(C)OC)CC1 2343681683 APSPARNBCHTSRP-HNNXBMFYSA-N 269.473 4.660 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)c(F)c1F 2344378872 MXHKSNKBANQQPF-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NC 2344394216 AXEXZVAKQBPGAT-YHUYYLMFSA-N 263.469 4.639 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1cc(C)ccc1C(C)C 2352920998 GETOYZIBNWVGEM-RDTXWAMCSA-N 259.437 4.981 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(Cl)CCOCC1 2353108806 GNIMKXAEJSVHOA-OAHLLOKOSA-N 289.891 4.503 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1 2353838381 TVIVFEWNRZEIIE-WCXIOVBPSA-N 285.541 4.725 30 10 CJEE N[C@@H](CC#CC1CCCC1)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359891112 BRBZCYYUMULXGL-OKYOBFRVSA-N 273.464 4.504 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1[C@@H]2CCOC[C@@H]21 2360175441 JMRWNJRFRCSDBM-XSLAGTTESA-N 281.484 4.517 30 10 CJEE C=CCC(CC=C)O[C@@H]1CCCCCC[C@@H]1NCCC 2360218570 WVXUGJMJAQYHPD-ZWKOTPCHSA-N 279.468 4.615 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@H](N)c1ccc(CC)cc1 2360335646 COGYZVQLGAWFHZ-KDOFPFPSSA-N 289.488 4.891 30 10 CJEE C=CCC(CC=C)Sc1cc(C)c(CNCCC)cn1 2360372584 UWEDPBCWNUQDOS-UHFFFAOYSA-N 290.476 4.503 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C#N)cc1Br 37072180 AFFXWVIQSSZFTG-LLVKDONJSA-N 295.224 4.557 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)Cc2ccc(C)cc2)C1 37146701 HLHZRZGOADTIGO-QXAKKESOSA-N 284.447 4.535 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 54823337 DVZHGWDINFKKBU-WRWORJQWSA-N 289.593 4.751 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2c(C)cccc2C)cc1 57684904 CNFBGRVOCCRRQY-GOSISDBHSA-N 279.383 4.688 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@@H](N)c1ccccc1 59083599 XMXOTDKEZOFPAL-ROUUACIJSA-N 277.452 4.842 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](N(C)C(C)(C)CC)C1 69433410 RKJNAHZKFFWBBW-OWCLPIDISA-N 278.484 4.851 30 10 CJEE Cc1cccc(Oc2nc3ccccc3cc2C#N)c1C 71390547 GVWZAZTYCTYTDA-UHFFFAOYSA-N 274.323 4.516 30 10 CJEE CCc1cccc(CC)c1NCCCC(C)(C)C#N 87598095 NFWYDMPPHLJDPP-UHFFFAOYSA-N 258.409 4.553 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC(C)(C)CC2)C1 87657837 WUSSKZSCPZXITK-IXDOHACOSA-N 276.468 4.607 30 10 CJEE Cc1cc(C)cc(CS[C@H]2CCCC[C@@H]2C#N)c1 94718389 LGOXYJZUWKZWMZ-CVEARBPZSA-N 259.418 4.619 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(Cl)cc(Cl)c1OC 107655052 DJNKHAXNOUHTGE-NXEZZACHSA-N 271.187 4.765 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ncccc1C 109732157 MNSOTXGCGZUKHF-MRXNPFEDSA-N 262.441 4.921 30 10 CJEE CCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1NCC 110083793 RMUWESRJXYUMRT-MOPGFXCFSA-N 289.463 4.639 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)COC 110167886 MSMZELLYSHIROG-KRWDZBQOSA-N 271.489 4.779 30 10 CJEE CCCCCCCCCCCCN1CCN[C@@H](C(C)C)C1 114054622 QFAAUGZVZRRJQH-LJQANCHMSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@@H]1CCCO1 114993991 ICCIAGNJGMTCJQ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccc(C)cc1 115858164 GYOAKLQHLOFROC-KRWDZBQOSA-N 271.404 4.922 30 10 CJEE CCCCCCC[C@@H](CN)c1ccccc1Br 118663519 QPBWYJYYONOVFA-ZDUSSCGKSA-N 298.268 4.852 30 10 CJEE CCCCCC[C@H](C)n1c(S)nc2ccc(C#N)cc21 124999089 LOOFSWSERTUQKY-LBPRGKRZSA-N 287.432 4.728 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 128038840 ZQOMJPQHYOYXDA-ZJUUUORDSA-N 258.192 4.609 30 10 CJEE C=CCCC[C@@H](NC)c1cc(Cl)ccc1Cl 128745973 GNZQMSLINKDEEK-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCNC(=N)NC1CCCCC1 129383479 IEOVJXRRDZULKG-UHFFFAOYSA-N 281.488 4.574 30 10 CJEE COc1cc(C#N)ccc1N[C@@H]1CCCC[C@@H]1C(C)(C)C 129905956 PXJLHIUIKWIVOS-LSDHHAIUSA-N 286.419 4.584 30 10 CJEE CCCCCCCC[C@@H](COC(C)(C)C)NCC 140282731 ASIJCANKEJQALL-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CCC)CC[C@H]1CNCC 156122271 WMVQVHQZJRMLHQ-YESZJQIVSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@@H](N)CCC(F)(F)F 158218133 VSDGBJGCVFUJSR-GFCCVEGCSA-N 253.352 4.797 30 10 CJEE CCCCCCCCNC[C@@H]1Cc2cc(Cl)ccc2O1 159249834 ZSNHEDAYLFEUTR-INIZCTEOSA-N 295.854 4.594 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1C 162182149 JXWJHEGNBYBQBH-KKUMJFAQSA-N 289.554 4.692 30 10 CJEE C[C@H]1C[C@@H](OCc2ccc(C#N)cc2Cl)CC(C)(C)C1 162978480 RFIBEQBWZXSEFC-SWLSCSKDSA-N 291.822 4.943 30 10 CJEE CCCC[C@@H](CC)COCc1ccc(C#N)cc1Cl 162978745 XTTYMZXXMYXOBM-CYBMUJFWSA-N 279.811 4.945 30 10 CJEE C=C(C)CCNc1ccccc1Cc1ccccc1 164419579 GTMQSTGJYGXWLE-UHFFFAOYSA-N 251.373 4.656 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1F 168249979 ANXDKNIHNCSYCP-DZGCQCFKSA-N 274.383 4.714 30 10 CJEE CC1(C)CC(Nc2c(F)cc(C#N)cc2F)CC(C)(C)C1 169232144 XLPHDDUKNJZVAP-UHFFFAOYSA-N 292.373 4.853 30 10 CJEE C=CCOc1ccc(/C=C\c2nc3ccccc3o2)cc1 206095180 SJJGQUGUCRSLRO-XFXZXTDPSA-N 277.323 4.563 30 10 CJEE CCCCCCCCCCC(=O)C(N)(CC)CC 226695639 BDEZWTQZHDTLSC-UHFFFAOYSA-N 255.446 4.604 30 10 CJEE CCCCCCC[C@H](NN)c1cc(Cl)sc1Cl 232938128 NONCVGIFPPRKKZ-JTQLQIEISA-N 295.279 4.920 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCO[C@@H]1CC 232961743 LCUMWQHWWMRZNS-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCSc1cccc(S[C@H](C)C(C)C)c1C#N 233817504 IBJUJFRCLQDCGZ-LLVKDONJSA-N 265.447 4.807 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccccc2C(F)(F)F)CC1 235294287 KQWBGNSCRYWSOX-JTQLQIEISA-N 268.278 4.635 30 10 CJEE CCCCCCCCCCN1CCC[C@H]([C@H](C)NCC)C1 250841324 XWTBKTCITSJQGO-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CCO[C@H]1C 252990571 BDDWLFJQHCRWCV-KSZLIROESA-N 298.515 4.554 30 10 CJEE CC(C)CC(F)(F)c1ccc(C(C)(C)C#N)cc1 259245043 AACSOYFHFPNZDS-UHFFFAOYSA-N 251.320 4.626 30 10 CJEE C=C(CC)CN[C@H](Cc1ccccc1)c1ccccc1 313489915 ULADDIRBURZBMS-LJQANCHMSA-N 265.400 4.526 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(C)cc(C)c2)C1 317296546 LUJDEXMBSQWWJB-AEFFLSMTSA-N 258.405 4.631 30 10 CJEE CC1(C)CCC(C=O)(C[C@H]2CCCC(F)(F)C2)CC1 317875962 MBLKYNXKELNJTJ-CYBMUJFWSA-N 272.379 4.988 30 10 CJEE C=CCS[C@H](c1ccccc1)[C@H](NC)c1ccccc1 380032682 WNOSCWCORXMXLS-QZTJIDSGSA-N 283.440 4.608 30 10 CJEE CCC(CC)(c1ccccc1)[C@H](N)CC#CC(C)(C)C 380429135 LVMVSOJIZWVQFE-QGZVFWFLSA-N 271.448 4.511 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)ccc1Cl 385084109 XBRWYEXNALXIAK-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE CCC1CCC(/N=C2/N[C@H](C3CCCCC3)CS2)CC1 385994073 BJEVVXSUOVQPRT-BCLQGDPASA-N 294.508 4.597 30 10 CJEE C=C(COC(C)C)[C@H](NC)C1CCC(CCCC)CC1 387628565 DTTHTVCVIJQMJC-ABHNRTSZSA-N 281.484 4.552 30 10 CJEE CCCCCCCCC[C@H](CC1(C)CCCC1)NN 389146968 URVLQZNJIAONBC-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE Cc1cc(Cl)cc([C@@H](O)C2(C#N)CCC(C)(C)CC2)c1 395087123 PGWXVWVKJWMVCQ-OAHLLOKOSA-N 291.822 4.792 30 10 CJEE CC(C)(C)[C@@H](CS)COc1ccc(Cl)c(F)c1F 396708321 PLWSIZSQOKJBNI-MRVPVSSYSA-N 294.794 4.589 30 10 CJEE CCC[C@@H]1CCCN1CC1(CS)CCCCCC1 396987002 ZOKHHNVQKABHCC-OAHLLOKOSA-N 269.498 4.521 30 10 CJEE N#C[C@H](CSCc1ccc(Cl)cc1)C1CCC1 397299351 PHAVTAPEFLPYMW-CYBMUJFWSA-N 265.809 4.513 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cccc(Cl)c21 398316275 VICBJZDSCOTVPV-SNVBAGLBSA-N 280.824 4.896 30 10 CJEE CCCCCCC[C@H](C)NC[C@H]1C[C@H]2C=C[C@H]1CC2 402563410 KQHXZLLIVXLPEA-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@H](CC)CC(F)(F)F 402574505 QHFVNBAXVWLDGL-STQMWFEESA-N 279.390 4.936 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(C)ccc1C 686690496 ZPVNYKBRQOHNQY-SFHVURJKSA-N 257.421 4.538 30 10 CJEE C[C@@H](CC1CCCCC1)NCc1ccc(C#N)cc1Cl 694640868 OWYJONNUQMRHBS-ZDUSSCGKSA-N 290.838 4.660 30 10 CJEE CCCCCCCCC[C@@H](O)CC1(N)CCCCC1 696234600 FBGRWRRUBCLGGN-MRXNPFEDSA-N 269.473 4.540 30 10 CJEE Cc1ccc(CSc2cccc(Cl)c2)cc1C#N 701869050 FBKFBCSJLFWIMM-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE C=CC(C)(C)CCNC1CC(c2ccc(Cl)cc2)C1 701883476 MVDCWEPTZGOEED-UHFFFAOYSA-N 277.839 4.778 30 10 CJEE CCCCCCC[C@H](C)NCc1ccncc1Cl 704414833 ZLCPRLBONGSSLA-ZDUSSCGKSA-N 268.832 4.574 30 10 CJEE CCCCCCCC[C@]1(N)CCc2ccc(C)cc21 704449149 LSUHJIQPLBPXDX-SFHVURJKSA-N 259.437 4.846 30 10 CJEE C=CC[C@H](C=C)O[C@@H]1CCCCCCCCCC[C@H]1N 705998737 NDCGBQGXFJKRDH-RCCFBDPRSA-N 279.468 4.744 30 10 CJEE C[C@](O)(C1(C#N)CCCCCCC1)[C@@]12CCCC[C@H]1C2 709198379 FXXAMFIVELWIFR-XYJFISCASA-N 275.436 4.572 30 10 CJEE C=CCCSCCN[C@H]1c2ccccc2CCC1(C)C 710186262 RHADMGMNHRHAJY-KRWDZBQOSA-N 289.488 4.599 30 10 CJEE CC[C@@H](CC(=O)Nc1cc(C#N)ccc1Cl)C(C)(C)C 711072589 PUHUNECYOHKWIR-LBPRGKRZSA-N 292.810 4.613 30 10 CJEE CCC(C)(C)CC/N=C1/NC2(CCCCCC2)CS1 713277558 WHJIVQVPZZNXFV-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714286411 LCIOELMQNLIKMW-HEHGZKQESA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(Br)c1C 715717374 BTPHEDLZIMOYBX-NHYWBVRUSA-N 296.252 4.620 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C2(CC2)C12CC2 720325081 QQOOCAKMWHIZIO-HNNXBMFYSA-N 261.453 4.681 30 10 CJEE C=C1CCC(CN[C@@H]2CCSc3c(F)cccc32)CC1 724447522 VMXJSXLLLRKCBY-MRXNPFEDSA-N 291.435 4.699 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H](C)O[C@H](C)C1)NC 724520787 UDHVBEGHQSYIRF-MLHJIOFPSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](CSc2ccccc2)NC)CC1 724543667 FYIBXOLOGVIFEU-INIZCTEOSA-N 275.461 4.503 30 10 CJEE C=C1CCC(CC(=O)CCCc2ccccc2)CC1 724584723 UGYGRGNGZHBLEO-UHFFFAOYSA-N 256.389 4.715 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H]2C[C@H]2CC(C)C)CC1 724598457 BAUWYHOBEYYMMT-KZNAEPCWSA-N 263.469 4.783 30 10 CJEE Cc1cc(N=C2N[C@H](C3CCCCC3)CCS2)cs1 725085607 RADNFLQQRBFERC-AWEZNQCLSA-N 294.489 4.719 30 10 CJEE C=C(C)COc1cccc(NC(=O)C[C@H](CC)C(C)C)c1 1125756206 UDCAFSGNXZRGKE-HNNXBMFYSA-N 289.419 4.652 30 10 CJEE C=CCCCN(CC)C(=O)c1ccc(C2=CCCC2)cc1 1134802166 KEZZSVACZGNQIY-UHFFFAOYSA-N 283.415 4.682 30 10 CJEE C=CC[C@H]1N(Cc2cc(C)ccc2NC)CCCC1(C)C 1205568239 HHIUSIRFXGABNK-GOSISDBHSA-N 286.463 4.603 30 10 CJEE C#CCCCCCCNc1cc(OC)ccc1C1CC1 1207252733 SVLKTRWAAKJXHO-UHFFFAOYSA-N 271.404 4.568 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)C2CCCCC2)CCCCC1 1272726041 PGUFNCGAUZKSCD-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCC[C@H](CC)C2)CCCCC1 1312053529 YLNLSJPROGPRSG-JKSUJKDBSA-N 292.467 4.533 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 1349245311 KWKCXGLMVOOELD-UHFFFAOYSA-N 285.309 4.555 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc2ccoc12 1461632363 NPDRQZFIPDESSR-WMLDXEAASA-N 269.388 4.657 30 10 CJEE C=C(CC)CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1462337399 BYDYPKURZGWEBD-ZBFHGGJFSA-N 297.364 4.897 30 10 CJEE C=C(CC)CN[C@H](CCc1ccccc1)Cc1ccccc1 1462338972 DYVXOLFHKJCVIE-OAQYLSRUSA-N 293.454 4.786 30 10 CJEE C=C(CC)C(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 1466614354 OAZFKNICRJSLFJ-GOSISDBHSA-N 285.431 4.830 30 10 CJEE C=CCCCSc1nc(C(C)C)nc2ccccc12 1473023699 MVPHVYZQJDHEQP-UHFFFAOYSA-N 272.417 4.812 30 10 CJEE C=CC1CCN(CCCSc2ccccc2Cl)CC1 1473166180 OAXILJFNCYVEPT-UHFFFAOYSA-N 295.879 4.720 30 10 CJEE C=CCN(C[C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 1474452673 HRSCOJKOAPCPOC-CQSZACIVSA-N 287.353 4.761 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 1474697591 ZLJXCRAJRMZWSW-RTBURBONSA-N 285.475 4.980 30 10 CJEE C#CCC1(C(=O)Nc2ccc(C3CC3)c(C)c2)CCCCC1 1529552339 HEFIYJJKZVBPPY-UHFFFAOYSA-N 295.426 4.785 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CCCC1 1532276206 DJEFIDNMYDHRMQ-BRWVUGGUSA-N 289.463 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](CC)CC(F)(F)F)c1 1537414230 IKTJVFGSIDDYRQ-NSHDSACASA-N 285.309 4.637 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(/C)c2ccccc2)c1 1539557833 GJHXXAHVTYLEDS-QINSGFPZSA-N 277.367 4.762 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 1544263456 QEADULGJTOKNKL-RBUKOAKNSA-N 299.458 4.660 30 10 CJEE C=CCCC[C@@H](Nc1ncncc1Cl)c1ccccc1 1559268521 IYFDOIZODRTLLW-OAHLLOKOSA-N 287.794 4.640 30 10 CJEE C=CCN(CCc1ccccc1)[C@H]1C=CCCCCC1 1559512994 CVHHQEGEIWYMJV-IBGZPJMESA-N 269.432 4.606 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1cccc(Cl)c1Cl 1560199855 GBXZOHBFJDUKKC-CYBMUJFWSA-N 284.230 4.924 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C)(C)CCCCC)C1 1560373258 WMMNZTWIRUFELX-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE 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C=CCCCC[C@H](C)NCC(C)(C)CC(F)(F)F 1659717766 BWDKSKBJPJGVKN-LBPRGKRZSA-N 265.363 4.690 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](C)CC(C)(C)C 1660014738 RLUAPHONHLIPPQ-WBVHZDCISA-N 259.437 4.588 30 10 CJEE C=C(CC)CN[C@H](C)Cc1ccc(-c2ccccc2)cc1 1660026952 DAQDGEFECHKMCK-QGZVFWFLSA-N 279.427 4.840 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC1CC(C)(c2ccccc2)C1 1660254702 XQLORTDELGSOBU-IHJVYAAUSA-N 283.459 4.831 30 10 CJEE C=CCCC(C)(C)CNC[C@@]1(C)C[C@@H]1c1ccccc1 1660457404 BQDBDUKOUMTDBS-IEBWSBKVSA-N 271.448 4.762 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc2ccccc2c1 1667117069 DVEDNGBCUAAADX-UHFFFAOYSA-N 282.387 4.706 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@H](C(C)C)C2)c1 1681066828 GFYZULBQLYASAL-INIZCTEOSA-N 286.419 4.620 30 10 CJEE C=CCN(C(=O)c1ccccc1Cl)C1CCC(C)CC1 1860008579 SJPVBJIOSHOIIN-UHFFFAOYSA-N 291.822 4.547 30 10 CJEE N#CC1(CC2CC3(C2)CC32CC2)C[C@@H]2CC[C@H](C1)S2 1877108789 JOHBZHVBDVYFCS-PCQUJAHOSA-N 273.445 4.525 30 10 CJEE CCCCC[C@@H](CC)N[C@@H](CC#N)c1ccccc1 1879157533 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4.696 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H](C)CCOC 2141917008 QQLKSOMXADINRF-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21 2142393880 UVQZLRAKTTUSJS-XSLAGTTESA-N 261.453 4.633 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@H](C)OCC(C)C 2142434040 HWCWTXAPFIKMPC-IAGOWNOFSA-N 269.473 4.682 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](CCCCCC)NC 2142463751 XVZSNJKZJXAGRH-DLBZAZTESA-N 271.489 4.656 30 10 CJEE N#C[C@@]1(CC2CCC=CCC2)CCc2ccccc2C1 2145552616 ZKYHJLKZMHUTJC-LJQANCHMSA-N 265.400 4.822 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cnc(N(C)C)s1 2149522923 HRFCISDUODXULP-CQSZACIVSA-N 298.496 4.773 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNCC12CC2 2149754656 OTUWQUNIHZMWEC-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NC)c1sccc1C1CC1 2151041057 JAPFLMNQZFDOAQ-HZPDHXFCSA-N 295.492 4.607 30 10 CJEE CCCCCCCC[C@@](C)(N)CCc1ccc(O)cc1 2154585325 JAVFYHHQMCDQFL-GOSISDBHSA-N 277.452 4.793 30 10 CJEE CCCCCCCCCC[C@@H](NC)C1(COC)CCC1 2157458954 FMQZZFPJMYZMKR-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE C=CCC[C@H](C)[C@@H](O)c1ccc(-c2ccc(F)cc2)o1 2158316581 PWMRNNZCHNSZII-YVEFUNNKSA-N 274.335 4.721 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc([C@@H]3CC3(F)F)cc2)C1 2158755809 ADMNRFMATPWGIS-HNNXBMFYSA-N 276.326 4.582 30 10 CJEE CC1(C)CC2(CC([C@@H](C#N)Nc3ccccc3Cl)C2)C1 2158844334 IIBYQTWWPIJZJY-OAHLLOKOSA-N 288.822 4.860 30 10 CJEE CCCCCCC[C@H](CC[C@H]1COC(C)(C)C1)NCC 2159356379 RPEBTVOSZOCEIR-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCC[C@@H]1CCC[C@H](N[C@H]2CCCCC[C@H]2C#N)CC1 2159454149 YRMDRUDHXLUBIV-OWSLCNJRSA-N 276.468 4.797 30 10 CJEE C[C@@H]1CCC[C@@H](CN=C2NC3(CCCC3)CCS2)CC1 2159517399 GQRGAPMQMFUWMC-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1CCO[C@@H](C)C1 2161521296 WOGLHSUCTPDIHH-KSZLIROESA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@@H]1C[C@]1(C)C(F)(F)F 2161822371 QGTDOTVDOVIPMA-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(F)cc(C(F)(F)F)c1 2164257911 PFVBDKCCNJATQI-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccnc(SC)n1 2164486275 FLIGECJUAGCHKF-HNNXBMFYSA-N 296.480 4.763 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2166051949 UNSSTWBZMKLJAF-IBEHDNSVSA-N 284.390 4.843 30 10 CJEE CC[C@]1(C)CSC(=N[C@H]2CCCCC23CCCCC3)N1 2166313095 VETAAWCTOJPCRF-GOEBONIOSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(C(C)(F)F)cn1 2167446618 RTWQJGNDKLZTJP-HNNXBMFYSA-N 284.394 4.728 30 10 CJEE C=CC1(C[C@H](CSc2ccccc2F)NCC)CCC1 2168023716 NZWJXXIINKPDPD-CQSZACIVSA-N 293.451 4.642 30 10 CJEE CC(C)(C#N)CCCCNC[C@H]1CCCCC(F)(F)C1 2168895545 IOAFVJGPOZOMCX-AWEZNQCLSA-N 286.410 4.512 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1CNCC(C)(C)C1 2172107834 NNGCOLYUFOWROG-IAGOWNOFSA-N 283.500 4.514 30 10 CJEE CC1(C)CCC[C@]1(C#N)c1cccc(F)c1C(F)(F)F 2172597901 FVFDLZWOEHPCFI-AWEZNQCLSA-N 285.284 4.816 30 10 CJEE C#CCCCC[C@H](NCCC)c1ccc([C@@H]2C[C@@H]2C)o1 2173497645 NQAYNDZAUKBUGX-XHSDSOJGSA-N 273.420 4.637 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@]1(CCC)CCCCN1 2176367369 YKGMVQUEICCJIV-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE N#Cc1cc(F)c(N[C@]23CCCC[C@H]2CCC3)cc1Cl 2177382979 HPHFITIDDJGPNY-LRDDRELGSA-N 292.785 4.876 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](C)(O)CCC(F)F 2177872561 SCKQTLDKWXYRGN-ZBFHGGJFSA-N 293.442 4.511 30 10 CJEE O=C(C=C1CCCCC1)C[C@@H]1CCc2ccccc2C1 2178412814 UXDHSBHSMNFBFP-MRXNPFEDSA-N 268.400 4.641 30 10 CJEE CCCN[C@@H]1CC[C@@H](CC#CC2CCCCC2)[C@@H]1CC 2179135977 GIPMOQNARQMDCX-CEXWTWQISA-N 275.480 4.765 30 10 CJEE CN(CC1CC2(C1)CC(C)(C)C2)C[C@H](CS)C(C)(C)C 2183203737 JZYNNERVHQQMGK-OAHLLOKOSA-N 297.552 4.727 30 10 CJEE CCCCCCCC[C@H](O)C1CC2(C1)C(F)(F)C21CC1 2183987450 GHDGDRIXIJIAKP-BBBYJDLNSA-N 286.406 4.923 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCCCOCC2CCC2)C1 2184675109 JBNHJNDKIDZLAW-PVAVHDDUSA-N 295.492 4.645 30 10 CJEE C=CC1(C[C@H](NCCC)c2csc(C3CC3)n2)CCC1 2188864362 XUUCQBXPHSEFEA-AWEZNQCLSA-N 290.476 4.808 30 10 CJEE C=C1CC([C@@H](NCCC)C2CC(c3ccccc3)C2)C1 2191379769 FDHFNXONXRAMMB-NKELODKYSA-N 269.432 4.515 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(O)C(C)(C)C(F)F 2193180087 LETVIJGEJVWDIK-MRXNPFEDSA-N 292.410 4.739 30 10 CJEE CCCCCCCCCC[C@]1(O)CCN(C)[C@H](C)[C@H]1C 2193714225 MSJUJPIKOMNFIX-KURKYZTESA-N 283.500 4.608 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1(CC(F)(F)F)CC1 2196173057 YQJIXKHRRYXOJU-CQSZACIVSA-N 289.385 4.671 30 10 CJEE C#CC[C@@H](C)C[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2196849024 NYLFGDAXWLJAHJ-GDBMZVCRSA-N 285.422 4.620 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 2196854074 LOZFVOSYQAQYLV-INDMIFKZSA-N 277.496 4.868 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc2c(s1)CCCC2 2196854592 PAVYVBRPJQBHMD-ZBFHGGJFSA-N 289.488 4.717 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1ccc(F)c(Cl)c1F 2197141074 BYAAWICPFBKWNJ-MRXNPFEDSA-N 293.744 4.592 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ccc(C)cc1 2197153518 ZCBYHPLEFQSRTK-IBGZPJMESA-N 265.400 4.749 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)C2CCC2)C1 2197389277 DOHIRJZTSRFABU-SOLBZPMBSA-N 276.468 4.605 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@]12CCCOC2 2198123661 SGXKQRPHZHKBOS-BZSNNMDCSA-N 281.484 4.532 30 10 CJEE N#C[C@]1(C[C@H]2C[C@H]2C2CCCC2)CCc2ccccc21 2200489666 KSIICKQFPNVLIV-ZIFCJYIRSA-N 265.400 4.611 30 10 CJEE CCCCC#CC[C@H](NCC)C(C)(C)c1ccccc1 2203785981 CAGMQRJMPQRLNE-SFHVURJKSA-N 271.448 4.526 30 10 CJEE CCCCC#CC[C@@H](NCC)C1(C)CCC2(CC2)CC1 2203787819 RDNOSHVXJWCKME-QGZVFWFLSA-N 275.480 4.909 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(SC)cc1)C1CCCCC1 2203804265 XCGGDQHUBYOHSO-KBXCAEBGSA-N 287.472 4.641 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@]1(O)CC(C)(C)C1(C)C 2204950639 OIMMZXIGJWJPSS-QAPCUYQASA-N 283.500 4.512 30 10 CJEE C=C(C)CC[C@@H](C)N=c1[nH]nc(C2CCCCCC2)s1 2204979665 LFOWLTNGBPISIX-CYBMUJFWSA-N 293.480 4.555 30 10 CJEE C#CCCCCCN[C@@H](C)CC(C)(C)c1ccccc1 2206335021 SRXXDNHMNQGGBF-KRWDZBQOSA-N 271.448 4.526 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H](C)Oc1cccc(Cl)c1 2206900247 RNEBKBZSNFKURK-RHSMWYFYSA-N 296.838 4.995 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(O)CCC[C@H]1C 2207373084 IYEOSWZYZYFIOV-AEFFLSMTSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCN(C)[C@@H](CC#N)C(F)(F)F 2207375104 BIXVRXUOWLEMSY-AWEZNQCLSA-N 290.373 4.679 30 10 CJEE C=CCCCCCCCCN1C[C@@H](CC)OC[C@H]1CC 2207377981 KLKQMXVZMPQXHI-QZTJIDSGSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@H](NCCC)C(C)(C)CN 2207397488 SZWMMNJMXPZETH-KRWDZBQOSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H](O)C(C)(C)CC 2207401677 DGZRVBXTJJKWBD-IRXDYDNUSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCC[C@](C)(O)c1cccnc1C 2207401918 GLCPQWGPAPDMFI-SFHVURJKSA-N 275.436 4.904 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@@H]1COC(C)(C)C1 2207411941 VDJHECZOBPJAOS-DLBZAZTESA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCC[C@@](C)(N)c1cnccc1C 2207427463 MXGNVFBLGBYAIS-GOSISDBHSA-N 274.452 4.871 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)COC[C@@H]1C(C)C 2207430445 VFJDORVBTZBFDH-QZTJIDSGSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@H]1CCCC1(F)F 2207432515 PXAREAXAZSGTTO-CABCVRRESA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](O)C1(COC)CC=CC1 2207434464 FWNJGRGDJBUFMA-QGZVFWFLSA-N 280.452 4.637 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](OCC)C1CC1 2207435421 HMCPFYKQUPLMFQ-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1CCO[C@H](C)C1 2207441329 HNTIXWXLEBTHNX-KZNAEPCWSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CO[C@H](CCC)C1 2207441441 IPCWQUPIQGJMNF-MSOLQXFVSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCCOc1ccc(CNC)cc1 2207442498 RPWQNAVGLMNACI-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1ccc(C)cc1Cl 2207446326 SVKXTYVQAWGMSV-INIZCTEOSA-N 296.838 4.943 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CC1(CC)CC1)NCC 2207448740 KQAIOYGLYCAPGP-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE C=CCCN(CC[C@@H]1C[C@@H]1CC)Cc1ccccc1 2209056300 VLIQHRQGSAGEKK-ZWKOTPCHSA-N 257.421 4.501 30 10 CJEE C=C[C@](N)(c1cc(Cl)cc(Cl)c1Cl)C(C)C 2211157927 LGHWYJBNSXMDNK-GFCCVEGCSA-N 278.610 4.643 30 10 CJEE C=C(Br)CCOCC12CC3CC(CC(C3)C1)C2 2217325040 ANYZAECNXLGAOJ-UHFFFAOYSA-N 299.252 4.518 30 10 CJEE C=CCCCCCCC[C@@]1(CNCC)CCCS1 2220086006 NCNLJQVEIPNWQX-INIZCTEOSA-N 269.498 4.778 30 10 CJEE C=CCCCCCCC[C@](C)(O)[C@H]1CCCSC1 2220087155 QQMTVAGUCPQWDJ-HOTGVXAUSA-N 270.482 4.797 30 10 CJEE Cc1cc(Cl)cc(OCCCCC(C)(C)C#N)c1 2223397913 KHJVBMBLPNFSPU-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE CCCCCCCC[C@]1(C)N[C@H](CC)[C@H](CC)O1 2223775914 WASUJIKKTPAOQA-OWCLPIDISA-N 255.446 4.630 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@H](CC(C)C)C(C)C 2225433625 KEYJEGRPXJUXPC-IRXDYDNUSA-N 265.485 4.722 30 10 CJEE C=CCCCCCCCCO[C@@H](CC)CNCCC 2225683982 IQUNYCNMTHPQJN-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1C(F)(F)C12CCC2 2227266546 XBGVYXQEOJBZAZ-ZIAGYGMSSA-N 272.379 4.699 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]1(C)C[C@H]1C(F)(F)F 2227269095 WCTRADRTFGTDOO-HZSPNIEDSA-N 278.358 4.853 30 10 CJEE C=CCCCCCCC[C@]1(N)CCC[C@@H]2CSC[C@H]21 2227271105 JWLSWUJFINHMJD-ZACQAIPSSA-N 281.509 4.764 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@](C)(CC)OC 2227271732 LEQXOILKDLADNO-SJORKVTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCCSCC1(CC(=O)OC)CC1 2227283092 MLRHMBRVOAKZFM-UHFFFAOYSA-N 284.465 4.590 30 10 CJEE C=CCCCCCCCN(C)C[C@H]1C[C@@H]1C1CCC1 2227535105 VWMVHIOMCWKOTE-QZTJIDSGSA-N 263.469 4.881 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1cc(Cl)cc(Cl)c1 2229574748 OKCDSYIDSKCCNR-INIZCTEOSA-N 292.209 4.881 30 10 CJEE C=CCCCC[C@H](NC)C1(C)CC2(CC(F)(F)C2)C1 2230575334 MTYFWBGFYDIZPF-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE CCCCCCC[C@H](N)C1(C)CC2(CC(F)(F)C2)C1 2230586751 YEAQHUQTVJIGMW-ZDUSSCGKSA-N 273.411 4.890 30 10 CJEE CCCCCCCCCCCO[C@@H]1CCC[C@@H](O)C1 2231011560 OJETZYBCRDRPNV-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCC(=O)C#Cc1ccc(CC)cc1 2231138861 VBWYAHZIZGBRTR-UHFFFAOYSA-N 256.389 4.530 30 10 CJEE C=CCC[C@H](C)[C@@H](CCc1cccc(F)c1)NCCC 2232800454 BUAXLBHKJZIUBC-MAUKXSAKSA-N 277.427 4.729 30 10 CJEE C=CCCC(C)(C)NC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233676977 OOIWMGZBMVCQGL-QKDCVEJESA-N 285.422 4.782 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc2ccccc2c1 2234695135 PKMJLNMCIFGZLX-BEFAXECRSA-N 265.400 4.538 30 10 CJEE CCCCCCC[C@H](NCC)c1cnn(C)c1C(C)C 2234824908 YWNKZOODWVJCBF-INIZCTEOSA-N 279.472 4.555 30 10 CJEE C=CCCCCCCC[C@@H](CCOCC(F)F)NCC 2235514530 VIQSDXTVFFFTMX-HNNXBMFYSA-N 291.426 4.553 30 10 CJEE CCCCCCCC[C@H](NC)c1cnn(C2CC2)c1C 2236645133 QRQJAKMNIHFPAX-KRWDZBQOSA-N 277.456 4.538 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 2238166762 PGCYEDVQMCSPCC-WBVHZDCISA-N 270.420 4.769 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2238174384 OATRPLSCNNXTGE-MAUKXSAKSA-N 270.420 4.906 30 10 CJEE CCCCCCCCOCC1(CNC2CCC2)CCC1 2238979027 ZTEHSDPZOQJBEO-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE C[C@@H]1CC[C@](C)(C(=O)C#Cc2cccc(Cl)c2)C1(C)C 2239463356 SHAIPLHUVOGNIW-FZKQIMNGSA-N 288.818 4.723 30 10 CJEE CCCCCCCCCOC[C@H](O)C1C(C)(C)C1(C)C 2239466606 GJOODSVSLSJIES-HNNXBMFYSA-N 284.484 4.797 30 10 CJEE CCCCCCCCCOC[C@H]1NCCC[C@H]1C(C)C 2239487929 VIJDULASDLZYPU-ZWKOTPCHSA-N 283.500 4.778 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H](N)c1c(F)cccc1Cl 2239488723 BUWAVAGPFSVNDQ-SWLSCSKDSA-N 299.817 4.630 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H]1CNCCC 2239501315 LTNOFMYTBVRDGT-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCO[C@H]1[C@H]2[C@@H](C[C@H]1O)C2(C)C 2239506582 BHYFYIJRAZAGGH-QBPKDAKJSA-N 282.468 4.549 30 10 CJEE CC[C@@](N)(C#Cc1ccc(Cl)cc1)CC1CCCCC1 2239566132 IGQNHTFCUYGWRC-GOSISDBHSA-N 289.850 4.769 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@H]1CCC[C@@H]1C 2240561627 YVLVLINKPQUFOV-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@H]1CCC[C@H]1C 2240648653 LDTBHIPEEJJERS-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@H]1C1CCOCC1 2240657538 MMBUTNBDKXJJJK-RYQLBKOJSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@H](C)c2ccc(C)cc2)CC1 2240808489 QZLRNDFQVWTAMU-VQIMIIECSA-N 271.448 4.823 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C)CC(F)(F)C1 2242463370 PGNZDXOSFVDPOX-UHFFFAOYSA-N 279.374 4.500 30 10 CJEE CCSc1cccc(SCC2(C)CC2)c1C#N 2247549088 ZPVQIEQKQOQOFB-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE C=CCCSc1cc(C)c(CN[C@@H](C)CC)s1 2250020120 YANCURFUEWGFTJ-LBPRGKRZSA-N 269.479 4.613 30 10 CJEE C=CCCCSc1cc(C)c(CNC(C)C)s1 2250062925 SIXSAIKRBKRYDB-UHFFFAOYSA-N 269.479 4.613 30 10 CJEE SCCCCCCCO[C@@H]1CCCC12CCC2 2252618157 DXDJNDLFCHBBQM-CQSZACIVSA-N 256.455 4.606 30 10 CJEE C=CCC[C@@H](C)C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 2253835541 LTYMRPBIADKPLI-IJLUTSLNSA-N 262.315 4.527 30 10 CJEE C=C(C)CCCC[C@@H](C[C@H](C)P(C)(C)=O)NCC 2259213246 UGGSPYVYMLVCAR-GJZGRUSLSA-N 273.401 4.502 30 10 CJEE C=C(C)CCCC[C@H]1CCC[C@H]1CNCC(C)C 2259231293 HRZFLEQQJQMDHD-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE C=C(C)CCCC[C@]1(O)CCCC12CCCCC2 2259238377 SKXFITWERGJZSW-KRWDZBQOSA-N 250.426 4.988 30 10 CJEE CN(CCCCCCCCCS)[C@@]1(C)CC1(C)C 2260323993 KPGKAONLJCSNOE-INIZCTEOSA-N 271.514 4.767 30 10 CJEE CCCCCCC[C@H](N)c1cnc(C(C)(F)F)s1 2260690207 TTYMFUXOUFSOCZ-JTQLQIEISA-N 276.396 4.615 30 10 CJEE C=C[C@@](N)(CC1CC(CC(C)(C)C)C1)C(C)(C)C 2261260006 FFZWOJROSIQGHT-MQBCKMQZSA-N 251.458 4.769 30 10 CJEE CCCCCC#CCC(=O)C[C@@H]1CCCCC12CC2 2264878026 LALZRWDTVAVDSJ-INIZCTEOSA-N 260.421 4.890 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCC1(C)C)NN 2266328243 INHNKVWEXBBEKP-CVEARBPZSA-N 268.489 4.785 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)CCC1CCCCC1 2268826079 SRRCGHRTOOFOBB-KRWDZBQOSA-N 262.437 4.704 30 10 CJEE CCCC[C@@H](C)[C@H](CC=CC#CC(C)(C)C)NCC 2268828439 ZEVRTCPVKAZHDR-SJORKVTESA-N 263.469 4.787 30 10 CJEE C=CCCC[C@H](C[C@H]1CCC[C@H]1C(F)F)NCCC 2270077430 PJYDWASZMQNPAW-RBSFLKMASA-N 273.411 4.782 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CCCC1(F)F 2271790821 HWVCUMMIVJTRAZ-CABCVRRESA-N 273.411 4.927 30 10 CJEE Cc1cc2sc([C@H](O)C#CC3CCCCC3)cc2s1 2273998541 IMNBTJCCUYPVKD-CYBMUJFWSA-N 290.453 4.888 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cscc1CC 2274130458 MVKPXPQFALJPHW-KRWDZBQOSA-N 275.461 4.545 30 10 CJEE CC=CCCC[C@@](C)(CCCCCCC)OCCN 2276512288 VPMIYWNDRNZTAU-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2278605584 OMJYKOHIPAARQP-ZYHUDNBSSA-N 288.407 4.508 30 10 CJEE C#CCCCCC[C@H](NCC)C1(C)CC(C(F)(F)F)C1 2279200518 ZBJLYCRNXLDNMU-SLTAFYQDSA-N 289.385 4.527 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@@]2(C=O)CCOC23CCCC3)C1 2279887296 XCDKDRQHKJMJBT-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCC2(CCCCC2)C1 2284087606 AWKLJEVFPQFAMN-IBGZPJMESA-N 273.464 4.814 30 10 CJEE CCC1(CC)CCCN(CC=CC#CC(C)(C)C)CC1 2284129041 LCZJAIZZYMDGSS-UHFFFAOYSA-N 275.480 4.884 30 10 CJEE COC[C@]1(C)C[C@@H]1CC1(C#N)CC(C)(C)CC(C)(C)C1 2284659964 QYSGVGFEYZIMOU-PBHICJAKSA-N 277.452 4.795 30 10 CJEE N#C[C@H](c1c(F)cccc1F)[C@@H]1CCC2(CCCC2)C1 2285128778 NPKSVSFHXHCWJZ-OLZOCXBDSA-N 275.342 4.932 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)O)c(C)c1 2285153867 NRUVKFBQEVIKGT-INIZCTEOSA-N 277.452 4.845 30 10 CJEE CC(C)(C)c1cccc(NCC2(C#N)CCCCC2)c1 2285673688 SYFNKMDHZGHLRS-UHFFFAOYSA-N 270.420 4.870 30 10 CJEE N#C[C@]1(CCCCCCCCCCO)CCCC12CC2 2286808845 HGUKWONWGLGHGX-SFHVURJKSA-N 277.452 4.964 30 10 CJEE C=CCCCCCCCS[C@@H](c1cccnc1)[C@H](C)N 2287091230 VMPSWHRVFXGOPN-DOTOQJQBSA-N 292.492 4.730 30 10 CJEE C=C(C)CCCCN(C)C[C@@H]1CC12CCC(F)(F)CC2 2287378025 JJBWFSHZIVRQMF-HNNXBMFYSA-N 285.422 4.880 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CCOCC1(C)C 2287465665 LWWRAMCUHCKFBC-GOSISDBHSA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@H](C)NCC1CC(OC(F)F)C1 2288331993 KQODXOXNDJHEIP-NFOMZHRRSA-N 291.426 4.733 30 10 CJEE CC(C)CCSCC[C@@H]1CCCC[C@@]1(C#N)NC(C)C 2288877413 UPUJROGIXPKVQS-IRXDYDNUSA-N 296.524 4.606 30 10 CJEE N[C@@H](C#CC1CCCC1)c1ccc(-c2ccccc2)s1 2289620608 VMKURNAHWJGABZ-INIZCTEOSA-N 281.424 4.609 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1cccc(C)c1C 2289709429 FSMROPNPLVDLSW-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CN[C@@H](C#CC1CCCCC1)[C@H]1CCCCC12CCC2 2289710618 IHYXNJZMPNKIHB-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE O=C(C#CC1CCCCC1)C1CCC(C(F)(F)F)CC1 2289761237 XGFJTTMLTWHWFB-UHFFFAOYSA-N 286.337 4.508 30 10 CJEE CCCCCCCC[C@](OCC(=O)O)(C(C)C)C1CC1 2290616550 QXEPGJZOASOFKZ-KRWDZBQOSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@]1(OCC(=O)O)CCC=C1CC 2290622096 FGKBAODZJNCWKO-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)[C@@H]1C=CCCC1 2290622515 TXUYAJQXHWTQJX-HZPDHXFCSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](CCC1(C)CC1)OCC(=O)O 2291366195 CCPMGZFNDNBZJE-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](CCCCC(C)(F)F)OCCN 2292756813 KEGLPPCCHCBYDX-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE C=CCCCCCCCCC1(OCCN)CCCCC1 2292788086 SULNCDUVUZMNGD-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCCCCC[C@]1(OCCN)CCS[C@H]1C 2292795654 HYDUFQXIRVSPHT-IRXDYDNUSA-N 299.524 4.533 30 10 CJEE C=CCCCCCC[C@@](C)(OCCCN)c1ccsc1 2293598768 GCPHTSBPQPUHGJ-QGZVFWFLSA-N 295.492 4.855 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC[C@H]1CC(C)C 2293684951 XNOMRMVHFTXADN-ROUUACIJSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCC[C@@H]1CCC 2293824177 CKOMFKPPGPSUKS-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CC[C@H](C)C[C@H]1C 2293878550 IVKBTFSRLYYZCO-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCC[C@H](C)CC1 2294048587 SDBKJCNXCQSBMK-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@](C)(OCCCN)C1(C)CCCCC1 2294402582 LLKTYUMQVNJMBB-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@@H](OCCN)C1CC(CC(C)(C)C)C1 2294420914 YNTKOSUHEMKFDC-OFLPRAFFSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1scnc1C 2294568028 LMJGNOIQEWIMIU-HNNXBMFYSA-N 298.496 4.609 30 10 CJEE CCCCCCCCC[C@@H](C)N(C)[C@H](C(=O)O)C(C)C 2295534211 PDHHLOUICNHZHA-CVEARBPZSA-N 285.472 4.557 30 10 CJEE CCCCCCCCC[C@@H](C)NCCOCCC1CC1 2295683935 GUEBDWPPQWNVRX-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCSC[C@H]1CCC[C@@](C#N)(NC(C)C)C1 2295762228 VJGMUGPIPNYRRC-DLBZAZTESA-N 296.524 4.750 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cscc1C(F)F 2304054001 ZYERVSLOAOIXRH-NSHDSACASA-N 259.365 4.549 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CC[C@@H]2C[C@H]12 2311210396 AVIJWSMODIAORH-IKGGRYGDSA-N 251.458 4.857 30 10 CJEE C=CC[C@H](C)Sc1ccc(Cl)cc1CNCCC 2313694497 FZCXMRIVNYGGJE-LBPRGKRZSA-N 283.868 4.896 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1cscc1C 2316746666 JLLHPHRFGTWDEO-MRXNPFEDSA-N 263.450 4.866 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@@H]1C(C)C)NCCC 2321116712 LCFGHQWTIVHKSW-OAGGEKHMSA-N 251.458 4.639 30 10 CJEE C=CC[C@@H](C)[C@H](CC1(C(C)C)CCC1)NCCC 2321127417 JNVWHFQDKKWRDR-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc2sccc12 2321146958 CVKPJBSKAWEIOH-WBMJQRKESA-N 259.418 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC(C)(C)C(F)(F)CC 2321221939 FFRWAVVPKXLMNR-JSGCOSHPSA-N 262.384 4.801 30 10 CJEE C[C@@H](OC[C@](C)(CS)C(C)(C)C)C1CCCCC1 2327106581 NWZANRPZRNNGSW-CZUORRHYSA-N 272.498 4.954 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327714029 UWOHPMHSQCDWPE-IAQYHMDHSA-N 284.230 4.919 30 10 CJEE CCCCCCCCN(C)[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]21 2332408798 OJIYXZFCWQWLTC-YYWYGQEZSA-N 263.469 4.713 30 10 CJEE CCCCC#CC[C@@H](N)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2333171094 WFQBHDSLNYAUKE-WNRNVDISSA-N 261.453 4.504 30 10 CJEE C=CCC(CC=C)OC(=O)Cc1ccc(Cl)cc1Cl 2335106753 DCBNSCAUFXOEML-UHFFFAOYSA-N 299.197 4.600 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](C(C)(C)C)C1 2337103390 VOEGNVVDPYYYPA-NCOADZHNSA-N 263.469 4.926 30 10 CJEE CCCN[C@@H](C#CC1CCC1)CCC1CCCCC1 2337427981 USIJMGGVLNJJBT-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CO[C@]2(C)C[C@H]1C2 2337707984 LIZVODORSXSZLH-INMHGKMJSA-N 266.425 4.511 30 10 CJEE C=CCC(CC=C)[C@@H](CCCc1cccs1)NCC 2338743759 IPWQAZFKBGMZJY-QGZVFWFLSA-N 277.477 4.817 30 10 CJEE C=CCCCCCCCC[C@@H](CCCCOC)NC 2340962032 DNEZUDHAPWUKEA-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C#CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341110440 MQIPPLSGGKVPKN-INIZCTEOSA-N 298.257 4.708 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(OC)ccc1Cl 2344347135 ZERHCVBKOXRUMT-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE CCCC1CCC(C=O)(CCCOC(C)(C)C)CC1 2345392264 TUWPAHIAIHVHLO-UHFFFAOYSA-N 268.441 4.757 30 10 CJEE C[C@@H]1c2sccc2CCN1C[C@](C)(CS)C(C)(C)C 2352166557 PIJTVBWMPSFULI-MLGOLLRUSA-N 297.533 4.649 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354888418 FXKDHUVNPSBWGE-LTFXXXRZSA-N 275.480 4.927 30 10 CJEE C=C[C@@H](CCCCC)OC[C@@H]1CC[C@H](CNCCC)C1 2358903196 NSYUBCLVZAOBDN-KSZLIROESA-N 281.484 4.554 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359060319 SSHXDWZVVKACJA-XDNAFOTISA-N 282.468 4.693 30 10 CJEE C=CCC(CC=C)SC[C@H](NCC)[C@@]12CCCC[C@@H]1C2 2360337206 BBAQVOPOKXWMDL-BPQIPLTHSA-N 293.520 4.799 30 10 CJEE C=CCC(CC=C)S[C@H](C)C(=O)c1ccc(F)cc1F 2360375454 BFYGWKZPAZXWBE-LLVKDONJSA-N 296.382 4.790 30 10 CJEE CCCCCC#CC[C@H](C[C@H]1CCC1(F)F)NCCC 2360410539 GOTHPTFJKULODV-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE Cc1cc(OCc2ccc(C#N)cc2)ccc1C(C)C 11834257 ORBJPEHKPUBHDF-UHFFFAOYSA-N 265.356 4.569 30 10 CJEE O=C(/C(F)=C\c1ccc(C(F)(F)F)cc1)c1ccccc1 33779515 ZIVGOEKBTSDDMJ-GXDHUFHOSA-N 294.247 4.899 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1cccs1 36973706 WUFZVFZDSAMGDE-SECBINFHSA-N 296.317 4.812 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)cc2C(F)(F)F)o1 36973732 DSXIHRHDOFFHAO-JTQLQIEISA-N 294.276 4.652 30 10 CJEE CCCCCCCOC[C@H](N)c1ccc(C(C)C)cc1 59083293 SOUYDIUQXAKBBW-SFHVURJKSA-N 277.452 4.797 30 10 CJEE CCCCCCCO[C@@H](C)C(=O)c1cccc(Cl)c1 59526136 PIQZAOUEHRSOHG-ZDUSSCGKSA-N 282.811 4.898 30 10 CJEE C=C(C)Cn1cc(CN[C@@H](C)CC)c2c(Cl)cccc21 84842308 YEIXEBIQHADFKQ-ZDUSSCGKSA-N 290.838 4.759 30 10 CJEE N#CC1(C(=O)Nc2ccc3sccc3c2)CCCCCC1 88127179 HTOIWFXUVWOQRF-UHFFFAOYSA-N 298.411 4.704 30 10 CJEE Cc1cc(Cl)cc(C)c1OCC[C@@H](C)CCS 94583462 FAIJWRQOJPRTCR-SNVBAGLBSA-N 272.841 4.682 30 10 CJEE CCCC(CS)(CCC)COCc1ccc(OC)cc1 94584131 KQQRRKSSURYWGK-UHFFFAOYSA-N 296.476 4.728 30 10 CJEE CCCCCCCc1nc(C(C)C)n(C(C)C)c1N 103502095 CTINCAOZCLLYFR-UHFFFAOYSA-N 265.445 4.683 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(OCCC)cc1CC 107661443 HPTHYHRLGCZJRK-LSDHHAIUSA-N 258.405 4.801 30 10 CJEE CCCCCCCO[C@@H](c1ccccc1C)[C@H](N)CC 109987526 MOSWNUTUBRHBEK-MSOLQXFVSA-N 277.452 4.760 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCCC[C@@H]1O 110168508 URROAWYZTIKURF-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCCNCCN(C)C1CCCC1 110170106 YAYJERVVWPSCAN-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCCCC[C@H](N)COc1ccccc1 112171756 XCLRSOUFKLVTCP-INIZCTEOSA-N 263.425 4.533 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@@]1(C)CC 115250176 OEEXFBJRGBYGDI-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCN(C)CC[C@H]1CCCCN1 117174017 RJBSTXHBAHYKJU-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C=CC[C@H](NCCC)c1c(Cl)cccc1Cl 122340733 HIIGJCHIGLJMLK-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(OC)cc1 125183133 IPONEQAJHQLIMO-SFHVURJKSA-N 292.467 4.730 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@H]1Cc2ccccc2O1 126060230 QPDDFFHZWKKDSE-IEBWSBKVSA-N 290.447 4.882 30 10 CJEE CCCCCCCCc1nc2cc(Cl)cc(N)c2[nH]1 129011265 GOYLWWVFGDAYRT-UHFFFAOYSA-N 279.815 4.702 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCc2sc(Cl)cc21 129638267 ATYGDDXNWCGDLK-LBPRGKRZSA-N 288.803 4.681 30 10 CJEE COc1cc(C#N)ccc1N[C@H]1CCCC[C@@H]1C(C)(C)C 129905546 PXJLHIUIKWIVOS-GJZGRUSLSA-N 286.419 4.584 30 10 CJEE CCCCCCCCCCC[C@@H](O)COCCC 130484702 NSVRDNFHUZUQOW-MRXNPFEDSA-N 258.446 4.695 30 10 CJEE Cc1cc(Oc2ccc(C(C)C)cc2)ccc1C#N 133494091 LSBGFWJQHCAKQL-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)cc1F)NC 134234937 RTTDHUUVBISPQD-OAHLLOKOSA-N 285.834 4.970 30 10 CJEE C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCCC1 135272608 LOIBVTVLNFSCMT-JTQLQIEISA-N 282.309 4.568 30 10 CJEE CCCCCCCOc1ncnc(NCCC)c1CCC 157947006 GSOAGMOQXWPOHM-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE CCCCCCCC[C@](C)(O)Cc1ccc(F)cc1 158802380 WRLHDNPXISIJLO-KRWDZBQOSA-N 266.400 4.870 30 10 CJEE CCCCCCCCC[C@@H](CCCC(C)C)NN 160622833 RDHHALKWPZNKQW-INIZCTEOSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)C(C)C 166668204 OJLBQNOJDLYBPM-QGZVFWFLSA-N 269.473 4.850 30 10 CJEE C=CC[C@H]1C[C@H](C(C)(C)C)CC[C@H]1CNCC(C)C 212284814 GIQSKTZRGIEJFJ-YESZJQIVSA-N 265.485 4.887 30 10 CJEE CCCCCCCCCCC[C@H](N)COC(C)C 228671730 QWOFQQGXCOAAFV-INIZCTEOSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCc1nc(CC)n(C(C)C)c1N 232959450 XCMMKAAECUZQSO-UHFFFAOYSA-N 279.472 4.902 30 10 CJEE CCCCCSc1ccc(CNC(C)(C)C)cc1C#N 233091160 QGJCRSKWYDYGRH-UHFFFAOYSA-N 290.476 4.729 30 10 CJEE C=CCCCCCNc1ccc(Br)c(C)c1 235771011 COGJZDJDHVWDNP-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE N#C[C@@H](COc1ccc(Cl)cc1)c1ccc(Cl)cc1 247708343 GSYYMAZBRLCJEV-LBPRGKRZSA-N 292.165 4.680 30 10 CJEE CCCCCCC[C@H](C)N(CC)[C@H]1CCCC[C@@H]1CN 250826538 NXNDPEYGKXRDDP-KSZLIROESA-N 282.516 4.575 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@H]2CCC3(CCCCC3)O2)C1 299979881 FLRAGRWEDYZPHH-BZUAXINKSA-N 261.409 4.588 30 10 CJEE CC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](CC#N)O1 307894612 HUOYTQGIGZNZBT-RISCZKNCSA-N 284.186 4.691 30 10 CJEE CC1CCC(C=O)(CC/C=C\c2ccccc2)CC1 316421282 APKWQQZKUDMKID-UITAMQMPSA-N 256.389 4.875 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)C)CCC[C@@H](CC)C1 318120092 VGOIOHDDZDHVOX-SJORKVTESA-N 251.458 4.927 30 10 CJEE Cc1ccccc1N[C@@](C)(C#N)c1c(F)cccc1Cl 380322397 OJSDWPGYHGPSRV-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCC1(F)F)NC 381871464 JOSYHJOAQQXUMS-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2c(Cl)cccc2Cl)O1 383569427 BXTZJXGDNQMMOW-JOYOIKCWSA-N 270.159 4.517 30 10 CJEE C=CCN(Cc1cc(Cl)cc(Cl)c1N)C1CCCC1 384740909 DXRQMTBOOUBLTH-UHFFFAOYSA-N 299.245 4.506 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H](CC)CC(F)(F)F 402701349 IGCCHVLKUXUJKX-STQMWFEESA-N 282.394 4.548 30 10 CJEE C=CCCCCC[C@H](O)c1cscc1Br 404696608 BDOKSZHDBFUTIY-LBPRGKRZSA-N 289.238 4.681 30 10 CJEE C=CC[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 405957331 LTXJEUNNWPUTCJ-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc(C)cc(F)c1 410347660 CUIIQXKVWAHZTL-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE CC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Cl 630063789 YSCVSCKNZYIIDY-NSHDSACASA-N 298.773 4.587 30 10 CJEE O=C(/C=C\c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 642882813 RZYHJYWKTVZHFT-SREVYHEPSA-N 294.247 4.741 30 10 CJEE C=C(Cl)CNc1ccc(OCc2ccccc2)cc1C 691054323 YMMUOBWHEXBSHX-UHFFFAOYSA-N 287.790 4.738 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(F)F)cn1 692226734 IEXGTQJJDFIHNC-WCQYABFASA-N 266.335 4.566 30 10 CJEE C#CC[C@@H](CC)N[C@H](C)c1cc(Cl)cc(Cl)c1F 692316658 ZMLSUIYQTMEXAY-MWLCHTKSSA-N 288.193 4.585 30 10 CJEE CCCCCCCCC[C@H](NN)C1CCC2(CC1)CC2 695662938 SQQXPDSDOCKUKQ-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)NC1CC1 695803910 KJUUAHNJMXZTGD-AEFFLSMTSA-N 283.500 4.799 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1C[C@@H]2C[C@@H]2C1 695853468 UCDAOOGXRKMWTM-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=C1C[C@H]2CC(Nc3ccccc3SC)C[C@@H](C1)C2 697305100 RZHKGVQMDAYHMQ-YIONKMFJSA-N 273.445 4.955 30 10 CJEE CCN(Cc1ccc(C)cc1)c1cc(Cl)ccc1C#N 699481206 BNWWKHPBCNDUJP-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE C#C[C@@H](N[C@H](CCCC)c1ccccc1)C(C)(C)C 702280286 FWYZCNVRMWOBQX-IAGOWNOFSA-N 257.421 4.555 30 10 CJEE CCCCCCCN[C@H](C)c1c(C)cc(C)nc1C 705965547 QNKYJFOCGZDURR-OAHLLOKOSA-N 262.441 4.628 30 10 CJEE CSc1cccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 708331080 SXGCBBWAGMQHRD-CHWSQXEVSA-N 288.460 4.907 30 10 CJEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Nc2c(C)cccc2Cl)C1 710736595 FKSCSFJBIAOHMY-KMFMINBZSA-N 293.838 4.556 30 10 CJEE C=CCC1(NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 712983606 MIHKPDKXHRFQMR-KBPBESRZSA-N 289.385 4.834 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1cccc2ccccc12)NCC 715830974 PLCBUPVHWKHTOT-BEFAXECRSA-N 267.416 4.573 30 10 CJEE CC[C@@H]1C[C@H](C)S/C(=N/[C@@H](C)c2cccc(Cl)c2)N1 716910472 PAOIFUBWHOLPCQ-COPLHBTASA-N 296.867 4.651 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)C[C@@H](C)CO1 718447536 YWZWRHTYVHXVIJ-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCCCC(C)(C)C1=O 719287729 JAWWXOWYRFYYPU-AWEZNQCLSA-N 266.425 4.702 30 10 CJEE C=C1CCC(CC(=O)Cc2cc(C)ccc2C)CC1 724582684 IWNYHPYNIVQHLS-UHFFFAOYSA-N 256.389 4.552 30 10 CJEE C=CC[C@@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 778737566 BRMRLRZGAASKJP-WMLDXEAASA-N 284.355 4.552 30 10 CJEE C=CC[C@@H]1N(C(=O)CCCCCCC)CCCC1(C)C 1128575071 PBPWSLSGEQEWHI-INIZCTEOSA-N 279.468 4.940 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)CC(C)C 1128600947 VQHAGGDJHIKSNK-GOSISDBHSA-N 287.447 4.664 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1oc2ccccc2c1C 1130905369 YFUAWWWDHWHHQF-GDBMZVCRSA-N 297.398 4.606 30 10 CJEE C=C(CC(C)C)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 1158161503 OWKQLMYHEDLXAU-MOPGFXCFSA-N 299.458 4.679 30 10 CJEE C=CCCC(C)(C)CNc1ncc([N+](=O)[O-])c2ccccc12 1163879124 VYYDBSNUHMJHSA-UHFFFAOYSA-N 299.374 4.547 30 10 CJEE CC#CCCSc1nccn1-c1ccccc1C(C)C 1164686392 SSJALIJDCRYTDT-UHFFFAOYSA-N 284.428 4.501 30 10 CJEE C=C(CC)CN(CCC)Cc1ccccc1Br 1167237360 BPDHLNANKQHSLI-UHFFFAOYSA-N 296.252 4.627 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCCC1(C#N)CCC1 1196058004 VAUUWJRYKXNEDF-DLBZAZTESA-N 274.452 4.575 30 10 CJEE C=CCCC[C@@H](C)NCc1cnc(-c2ccc(C)o2)s1 1201656517 TYVZRKBSJFQGAS-GFCCVEGCSA-N 290.432 4.546 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1C 1229460874 UJZVIPJGKJSFLM-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=C[C@@H](OC(=O)CC(C)(C)c1ccccc1)c1ccccc1 1279069068 GSEYZGPXQJXAAG-GOSISDBHSA-N 294.394 4.825 30 10 CJEE C=CCC[C@@H](NC[C@H](CC)CC(F)F)c1ccccc1 1307626761 NCADQCKSKACRMS-GDBMZVCRSA-N 281.390 4.965 30 10 CJEE C#C[C@@](C)(CC)NCCCCc1ccc(Cl)c(Cl)c1 1307781254 DNXWCNSCLIICNO-INIZCTEOSA-N 298.257 4.708 30 10 CJEE C=CC(C)(C)CCCNC(=O)N[C@@H](CCC)C1CCCC1 1312844801 BFJKFVNAOIOXMR-INIZCTEOSA-N 294.483 4.637 30 10 CJEE C=CCN(CCc1ccccc1)C(=O)CCC1CCCCC1 1352041424 BHJUHLIEXFDYOE-UHFFFAOYSA-N 299.458 4.604 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2cc(C)sc2C)CCCC1 1355889513 IPPLOIOIVXOHPJ-CYBMUJFWSA-N 291.460 4.679 30 10 CJEE C#CCCCCCC(=O)Nc1ccc2c(ccn2CCC)c1 1356363485 FLQVYMBBGXWJRM-UHFFFAOYSA-N 296.414 4.574 30 10 CJEE C=CCCCCOc1ccc(C(=O)c2ccccc2)cc1 1458794691 IWFWOIWRUZJQKF-UHFFFAOYSA-N 280.367 4.653 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H]1CCC[C@H]1CC)c1ccccc1 1460249976 PMZVATUMIPLUES-NEWSRXKRSA-N 299.458 4.679 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](C)C1(c2ccccc2)CCCC1 1466963824 INDGQLUMTPKMOU-QGZVFWFLSA-N 299.458 4.605 30 10 CJEE C=CCCCCCN1CCC[C@H]1c1ccc(OC)c(F)c1 1473626474 XSKGDZJOYNRLNF-KRWDZBQOSA-N 291.410 4.718 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(OC)c1OC 1474705920 VLXUEADMZAKNFO-CQSZACIVSA-N 279.424 4.865 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCCCC(C)C 1476483005 JLFFSQQVOUAWBW-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 1537409659 DUDCXUWKPZZBFO-UHFFFAOYSA-N 291.394 4.780 30 10 CJEE C=C(C)CCC(=O)O[C@H]1CCC[C@@H]1c1ccc(C)cc1 1539282600 QTZNDWGUHPSJHJ-SJORKVTESA-N 272.388 4.531 30 10 CJEE C=CCC(C)(C)CNC(=O)c1cc2cccc(C)c2s1 1544422904 PHQJNSMTQXXPBW-UHFFFAOYSA-N 287.428 4.542 30 10 CJEE C=C(C)CN(C)C/C(C)=C/c1ccccc1C(F)(F)F 1560939799 RQBMLIKMYMWIAN-UKTHLTGXSA-N 283.337 4.617 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1C)c1ccccc1 1585904473 XVWQRDUHFNLUBF-WDSOQIARSA-N 299.458 4.679 30 10 CJEE C=CCC1(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CCCCC1 1587461020 GYMNPFOPDDOWGF-CVEARBPZSA-N 289.463 4.620 30 10 CJEE C#CCC1(NCc2ccccc2C(F)(F)F)CCCCC1 1620612058 RXHDIPGSEQXQDW-UHFFFAOYSA-N 295.348 4.521 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H](CC)C(C)(C)C 1625512501 IIWCSCTWKMTTQE-AWEZNQCLSA-N 267.457 4.557 30 10 CJEE C=C(CC(C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1 1643378261 PPMMTTRKPDIJHW-RTBURBONSA-N 299.458 4.774 30 10 CJEE CCCCCCCCCN(C)C[C@@H]1CCC(C)(C)CO1 1644394357 AAOPWCBWGZGBGL-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE C=CCCC[C@H](NC(=O)C1=CC[C@H](C)CC1)c1ccccc1 1651058262 XYMCEDCMNIJUIZ-LPHOPBHVSA-N 297.442 4.947 30 10 CJEE C=CCCCNc1nc(-c2ccccc2)c2ccccc2n1 1655445039 JCZKLLPDDDJNQG-UHFFFAOYSA-N 289.382 4.675 30 10 CJEE C=CC(C)(C)CNCc1ccc(C2CC2)c(C2CC2)c1 1657379879 AISGDTDCRKVKGB-UHFFFAOYSA-N 269.432 4.743 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc(C3CCOCC3)c2)C1 1658676312 YKUASWVWRTYQOG-KXBFYZLASA-N 285.431 4.737 30 10 CJEE C=CCCCC[C@@H](C)NCCc1ccc(Cl)c(C)c1 1659887088 IVPAOIYDJORVNR-OAHLLOKOSA-N 279.855 4.915 30 10 CJEE C/C(=N\OCCCc1ccccc1)c1ccc(F)c(C)c1 1857937516 APQHJMOQRFSLNE-HMMYKYKNSA-N 285.362 4.508 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@H]1CC[C@H](CC)CC1 1878279345 FGLKMEGMYMSNRH-XSLAGTTESA-N 263.469 4.927 30 10 CJEE CCCCCCCCN(C)[C@@H]1COC(CC)(CC)C1 1883331843 IGPQRUNXRAPNNP-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C=CCCN(Cc1ccccc1)CC1[C@H]2CCCCC[C@H]12 1886639740 TWVNMKSKZHWWSP-OALUTQOASA-N 283.459 4.891 30 10 CJEE CCCCCCCN(C)[C@H](CC)c1ccc(O)cc1 1887057884 WQPGCNYYEPHQRP-QGZVFWFLSA-N 263.425 4.746 30 10 CJEE CCCN(Cc1ccccc1)C[C@@](C)(CS)C(C)(C)C 1893537803 RTFGTZIVOSLSQM-SFHVURJKSA-N 293.520 4.881 30 10 CJEE C=C(CC)C[C@H](O)c1c(Cl)cc(F)cc1Cl 1901873239 HVEHQOFZXPDYTD-NSHDSACASA-N 263.139 4.522 30 10 CJEE CC=C(CC)C(=O)c1cc(C(F)(F)F)ccc1Cl 1912132449 IKTXGOARGRAHDM-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1OCC[C@H]1C 1918122311 KEIQMOBVPCJPDG-GDBMZVCRSA-N 254.414 4.511 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H]1C[C@@H]1c1ccccc1 1919909749 JXTIXJSJCZQCFU-KURKYZTESA-N 260.421 4.902 30 10 CJEE CCCCCCC[C@@](C)(O)Cc1c(F)cccc1F 1919914093 SPOPZMUTTZICTL-MRXNPFEDSA-N 270.363 4.619 30 10 CJEE CCCCCCC[C@@]1(N)CCc2cc(Cl)ccc21 1920486159 HAHWHJBNJKRLMS-MRXNPFEDSA-N 265.828 4.801 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](NC)c1ccccc1Cl 1920793000 PIWAQRPMRBSJRH-IAGOWNOFSA-N 297.870 4.712 30 10 CJEE C#C[C@@H](C)C1(CNC(C)(C)C)CCC(CCC)CC1 1925424085 QFKGZCFKESOPHN-KLHKWILBSA-N 263.469 4.621 30 10 CJEE N#C[C@]1(C[C@H]2C=CCCCC2)CCc2ccccc2C1 1925763382 NODKTHSNKCOGSO-LPHOPBHVSA-N 265.400 4.822 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 1947451753 IWAGSVLZJARXHM-CQSZACIVSA-N 273.203 4.803 30 10 CJEE C=CCC[C@@H](C)N(Cc1ccccc1)CC(C)(C)C 1953463985 YGGFSKFTPWOZTN-MRXNPFEDSA-N 259.437 4.889 30 10 CJEE CCCCCCCCCCCCCCN(C)CCNC 1962727086 YBMREJDWLPKBDP-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 1964119207 MSYXJMOWPKOEFL-STQMWFEESA-N 283.362 4.683 30 10 CJEE C=CCCCCCc1cc(F)ccc1Br 1975341164 KPANCXWUAUADPB-UHFFFAOYSA-N 271.173 4.877 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1ccc(Cl)cc1Cl 1975933979 ZLJAKVMLDXGVCK-TVQRCGJNSA-N 258.192 4.596 30 10 CJEE N#C[C@@]1(Cc2cc(Br)cs2)CCCC12CC2 1981839854 FETQCPMRIUEIDU-ZDUSSCGKSA-N 296.233 4.527 30 10 CJEE CC1(C)CC=C(C(=O)c2cc(Cl)cs2)CC1 1985314670 YUUQYBSZWIXKSX-UHFFFAOYSA-N 254.782 4.721 30 10 CJEE CC(C)(C)SCCC1(C#N)CCC2(CC1)CC2 2007698769 UVMCQXFLJRPTFU-UHFFFAOYSA-N 251.439 4.772 30 10 CJEE C=C(C)CC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2019779002 MSIPQMOEWOJTJB-CYBMUJFWSA-N 277.166 4.696 30 10 CJEE CCCCCCCC[C@@H](NCC)c1nc(C)cs1 2027233769 SJZRHJWCDUYFPH-CQSZACIVSA-N 268.470 4.853 30 10 CJEE 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C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 19909843 BKAHLYMEZYNUKX-LLVKDONJSA-N 290.288 4.750 30 10 CJEE N#Cc1ccc(Nc2ccccc2SC(F)F)cc1 21041303 ZSEQNAPPYSMLLK-UHFFFAOYSA-N 276.311 4.617 30 10 CJEE CC(/C=C\c1ccccc1)=N\Nc1nc2ccccc2s1 21966769 YWYHDVNFWZBQQD-FXGFNZPXSA-N 293.395 4.798 30 10 CJEE CC(C)C[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1 37071327 VFGVTHXCWGNEGQ-LJQANCHMSA-N 278.399 4.952 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 49526165 CKCUWJDHIDINMD-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE C[C@H]1CCC[C@H](S[C@@H]2CCCCC[C@@H]2C#N)C1 54691005 OAQPYJZNSBFUAR-LJISPDSOSA-N 251.439 4.771 30 10 CJEE CCc1cc(C[C@H](C#N)c2ccc(Cl)cc2)ccc1OC 57762418 RTWZARXCNWTSMD-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCCCCCCOc1ccc(CNC)cc1OCC 59178799 GPRLHDJNCGKORI-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE CCCCCCCOc1ccc([C@@H](C)NCC)cc1 59178967 FWFLLPFGYAWEJF-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCCOc1cccc([C@@H](C)NCC)c1 59179099 JMGWTTULBPOUOV-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCC[C@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 79343630 LTKHIONCUPTDJJ-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2F)C1 87972835 USWFXJBPNPBFJU-WBMJQRKESA-N 263.331 4.617 30 10 CJEE C=CCC[C@@H](CSc1ccc(Cl)cc1)NCCC 90245675 ZVTQCZRTYNMMAV-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE CCC1CCC(C#N)([C@](C)(O)c2ccc(C)c(C)c2)CC1 91878620 RDAQAMIQONHMFO-CUYAVPTFSA-N 285.431 4.621 30 10 CJEE CCCCC[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884944 TXQUTZORDZYGKV-CKDBGZEDSA-N 265.441 4.674 30 10 CJEE C=CCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 97219593 AIPRQVPMCJPDLV-IHRRRGAJSA-N 277.374 4.690 30 10 CJEE C=CCCC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NN 97740794 DJGVSWVISDCHSX-KVMJBUIKSA-N 290.495 4.561 30 10 CJEE CCCCCCCOc1cccc(CNC(C)(C)C)c1 100125669 XSYRDQLHCGDHBZ-UHFFFAOYSA-N 277.452 4.924 30 10 CJEE CCCCCCCN1C[C@H](CC)Nc2cc(C)ccc21 106598741 PVLWOWXPUSXUTH-INIZCTEOSA-N 274.452 4.976 30 10 CJEE CCCCCCCCCCCCOC[C@@H]1CCCN1 109652707 OPJOOSODYPTRAE-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)C[C@@H]2CC[C@@H]1C2 109673480 OEOQUVBCDMWGOD-FMKPAKJESA-N 252.398 4.628 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OCC)c(CO)c1 109916860 PHTOPQNTWJSUAI-OAHLLOKOSA-N 293.451 4.739 30 10 CJEE CCCCCCCc1nc(C2CCCC2)sc1N 110062076 UHEJDKQPZNFEDO-UHFFFAOYSA-N 266.454 4.896 30 10 CJEE CCCCCCCCOCc1occc1CNCC(C)C 110171305 DDHMPDPOMBKTJR-UHFFFAOYSA-N 295.467 4.902 30 10 CJEE C[C@H]1CCCC[C@H]1N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264886 QACOLCUZFZETFJ-YYWYGQEZSA-N 290.495 4.851 30 10 CJEE CCCCCCCn1nc(CNC(C)C)c2ccccc21 112932140 RUNTXTPVLXTDMT-UHFFFAOYSA-N 287.451 4.505 30 10 CJEE CCCCCCCCCCn1nccc1CNCC(C)C 112934304 YALDKGBXIGBIBV-UHFFFAOYSA-N 293.499 4.769 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NCC1(CC)CC 114064884 IYUMVTDLDSBCGB-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCN1CC2(CCCCC2)NCC1(C)C 114069414 RLRUAKUGTMXYKU-UHFFFAOYSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCCCC[C@]1(CN)CCC[C@H]1O 115827575 BXOCRYAKBJSFJU-QZTJIDSGSA-N 283.500 4.787 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)OCCCO2 115855103 CPRKOOALHDQGKL-UHFFFAOYSA-N 290.403 4.781 30 10 CJEE CCCCCCC[C@H](N)CSc1ccccc1C 117436338 MEJSTPRKPLTXCO-HNNXBMFYSA-N 265.466 4.775 30 10 CJEE CCCCCCCCCn1ccc(CNCC(C)C)c1 117986720 RHPJOKWGIWWVDA-UHFFFAOYSA-N 278.484 4.984 30 10 CJEE CCCCCCC[C@H](NCCC)C(CC)(CC)N(C)C 118169111 GRMVRRLNLJJSKQ-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE Cc1cc(C#N)cc(C)c1OCc1cccc(F)c1Cl 122700577 ZJYPJXFJLZJQMQ-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE CCCCCCCSc1ccc(CNCC)cc1 123972805 LQYSQJBTSYYFHJ-UHFFFAOYSA-N 265.466 4.859 30 10 CJEE C[C@H](CNc1ccc(C(F)(F)F)cc1C#N)C(C)(C)C 125381865 CGECOENKVFGGNY-SNVBAGLBSA-N 284.325 4.671 30 10 CJEE CCCCCCCCC[C@H](O)Cc1cc(CC)nn1CC 129008062 TZBSVUKKOGWYPV-SFHVURJKSA-N 294.483 4.510 30 10 CJEE C=C(Cl)CNc1cc(Cl)cc(C(F)(F)F)c1 130937404 UEAAVYFLNYLIDL-UHFFFAOYSA-N 270.081 4.523 30 10 CJEE C#CCCC[C@@H](NCCC)C1CCC(CCC)CC1 134050834 JEBKWSNBAFAOCS-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC[C@@H](N)CCOCCC 143431079 WROJUXPQIHQYEU-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE Cc1ccc([C@](C)(O)C2(C#N)CCCCCCC2)cc1C 156793999 JUAOWAQAQBSKFJ-SFHVURJKSA-N 285.431 4.765 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2c(F)cccc2F)C1 157679455 XSAQJDXXBRAMGK-BLLLJJGKSA-N 263.331 4.617 30 10 CJEE CCCCCCC[C@H](O)c1cc(C(F)(F)F)ccc1N 158448036 DWZNZGRGKSXIBE-AWEZNQCLSA-N 289.341 4.682 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CO[C@@H](C)C1 162365096 VIQGQSJKTWCNGY-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC(=O)C(F)(F)Cl 163986670 ALBOTTXFBVTZKG-UHFFFAOYSA-N 254.748 4.918 30 10 CJEE C=C(C)CC[C@H](NCC)C1(OCC)CCC(C)(C)CC1 164773988 HFGXAIHNKIORBH-INIZCTEOSA-N 281.484 4.696 30 10 CJEE CCCCCCCOc1cc2cnccc2cc1OC 216730213 PXMKIKOCLAQIDK-UHFFFAOYSA-N 273.376 4.593 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218348871 MSGJUJQOXPMPKR-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCC(=CC(=O)c1ccc(C(F)(F)F)cc1)CC 232879114 LLZFGLZSYJJCLQ-UHFFFAOYSA-N 256.267 4.635 30 10 CJEE CCCCCCCCCCCC[C@](CC)(CN)C(=O)O 232918536 IEPSVCKBERSDME-QGZVFWFLSA-N 285.472 4.737 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cccc(F)c1F 232942021 IAQCCVNSXKVPIP-MRXNPFEDSA-N 270.363 4.923 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](O)C1CCCCC1 232949533 IAGJLWDFOLNGNY-MSOLQXFVSA-N 284.484 4.819 30 10 CJEE C=CCCCCCC(=O)[C@@]1(OCC)CCC[C@H](C)C1 233784864 VGJABFQVZLFDAF-DOTOQJQBSA-N 266.425 4.677 30 10 CJEE C=CCCCCCC(=O)c1ccc(Cl)cc1OC 234805662 ROLFPWDLEJGBGJ-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE N#C[C@@H]1CCc2ccc(F)cc2[C@H]1C1CCCCC1 260700997 UZSIYRSTQLBEIT-YOEHRIQHSA-N 257.352 4.576 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]1CC 297662204 FBTBAIJBMGGADF-OAHLLOKOSA-N 286.419 4.555 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1c(F)cccc1Cl 308039180 MLWIFPIUXYUMAW-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccccc1Cl 311426043 OJLGSMBBBVDFMX-INIZCTEOSA-N 277.839 4.820 30 10 CJEE CCCC(CS)(CCC)CN1C[C@H]2CCC[C@@H](C2)C1 311481663 LCHWCKPUIXQEGC-HOTGVXAUSA-N 283.525 4.625 30 10 CJEE C=C([C@H](NCCC)c1cccc(Cl)c1F)C(F)(F)F 312014713 STZAYCQOHQIIGT-LBPRGKRZSA-N 295.707 4.638 30 10 CJEE Cc1ccc(C#N)cc1NCc1cc(Cl)sc1Cl 312598534 JFXGGOPYCJJPOW-UHFFFAOYSA-N 297.210 4.847 30 10 CJEE C=C(CC)C[C@]1(CNCCC)CCCc2ccccc21 317534557 ZZBIFDWVAXNHOI-IBGZPJMESA-N 271.448 4.617 30 10 CJEE Cc1sccc1[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 380967444 SIRGEPUKMRLTKD-GULBITTBSA-N 291.460 4.836 30 10 CJEE N#CCCc1csc(CSc2ccccc2Cl)n1 380989010 HDLRITSFTWHQSW-UHFFFAOYSA-N 294.832 4.545 30 10 CJEE C=C[C@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 381772448 BEDBESDVJWUBQS-INIZCTEOSA-N 291.316 4.722 30 10 CJEE CC1CCC([C@@]2(C#N)CCc3ccccc3C2)CC1 382092808 FKBNDSOXXPLGHD-UYJHFMRCSA-N 253.389 4.512 30 10 CJEE CCC(C)(C)C1CCC2(CC1)CC[C@](C)(CC#N)O2 382393114 SNTBAZWLYLHOEE-ARWYELJZSA-N 263.425 4.834 30 10 CJEE CC1([C@@H](C#N)Nc2ccc(Cl)cc2)CCCCC1 394729539 PQJDOLMZRYZHLP-CQSZACIVSA-N 262.784 4.614 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)CCC2CCCCC2)C1 395094588 DHKAVQPADFUWGQ-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE N#CCc1csc2c(C(F)F)ccc(Cl)c12 396196675 YDXAMQHCUCXKEW-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)NCc1c(Cl)cccc1Cl 398121043 RBFTWWWGXOGEEE-NSHDSACASA-N 272.219 4.828 30 10 CJEE CCCCCCCCCCN[C@@H]1CCCC1(F)F 398211236 SGTWWIIKDNFBGJ-CQSZACIVSA-N 261.400 4.905 30 10 CJEE CCCCCCCC[C@H](CC(F)(F)C(F)F)NC 400814527 APEXUJUTEWARMN-LLVKDONJSA-N 271.342 4.616 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1CC[C@H]2C[C@@H]2C1 403655940 KRNQOXJNESKIAI-IKGGRYGDSA-N 297.552 4.871 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc2c(c1)CCCC2 404521447 IRJVKZLVYNDZDC-UHFFFAOYSA-N 282.774 4.834 30 10 CJEE C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccc(C#N)cc1 527348708 AMNNRCHCXIHRSB-BEVDRBHNSA-N 290.410 4.545 30 10 CJEE C=CCCc1ccccc1NC(=O)CC[C@H](C)CC 560711698 DWXLBFSMPACPDW-CQSZACIVSA-N 259.393 4.570 30 10 CJEE CC(C)c1cccc(C(=O)/C=C\c2ccccc2)c1 642882797 PKGWSYDSROLNJT-QXMHVHEDSA-N 250.341 4.706 30 10 CJEE C#CCCCCCC[C@@H](CNCCC)c1ccccc1 686693474 TVNZWKKMXZCNCZ-IBGZPJMESA-N 271.448 4.744 30 10 CJEE CCCCCCC[C@H](CCCOC(C)C)NCCC 689424979 SHGLNIICXNRAAL-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@@]1(O)CC[C@@H](C)SC1 689489360 YKNIMTSZTLSVFA-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCC1 691117125 IUCYRHLJRIJTID-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE CCc1ccc(N=C2N[C@@](C)(C(C)C)CS2)cc1Cl 691295608 ZSHITGMMOBZWSR-OAHLLOKOSA-N 296.867 4.641 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 693376873 BQIWNIXQZBPAFP-XQLPTFJDSA-N 273.411 4.616 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@]1(C)CCCN1 695288182 JBUPZTUVQIJXML-MSOLQXFVSA-N 283.500 4.800 30 10 CJEE C=C1C[C@H]2CC(NCC3C[C@H](C)C[C@@H](C)C3)C[C@@H](C1)C2 700313056 JRWNDBDFAKRTMH-QZEXDLSESA-N 275.480 4.783 30 10 CJEE SC[C@H](COc1ccc(-c2ccccc2)cc1)C1CC1 702020720 SMNVPVIGNWBTDG-KRWDZBQOSA-N 284.424 4.688 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H]2CCCC(C)(C)CC2)N1 704797596 NWBXKSQMDUHRSU-CZUORRHYSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C=C)OC[C@@H](NCCC)c1ccc(Cl)cc1 709544929 WDMSAXUIBUQAQU-IAGOWNOFSA-N 293.838 4.528 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1c(C)cccc1Br 715723034 XKMNQSGYLCPWSL-DOMZBBRYSA-N 296.252 4.620 30 10 CJEE N#CC1(C[C@@H]2CCC3(CCC3)CO2)CCCCCCC1 716342675 FRJQIGGSIKGQCM-INIZCTEOSA-N 275.436 4.980 30 10 CJEE CCCCCC[C@H](C)/N=C1/N[C@H](CCC)CCS1 716821467 HDUYGPKRSBKFCQ-UONOGXRCSA-N 270.486 4.597 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H](OC)C1)NCCC 721917515 VNCUVXZBTYFWBN-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](N)C[C@H](C)CC(C)(C)C)CC1 724619122 VSYPLTFWMRABMA-GOEBONIOSA-N 251.458 4.913 30 10 CJEE N#CCc1sc2ccc(Cl)cc2c1OC(F)(F)F 725286633 JTCZFBRRJALQKX-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=CCC(F)(F)C(=O)Nc1ccc(CCCCC)cc1 1124073034 AZHCGYFXFPBIEQ-UHFFFAOYSA-N 281.346 4.569 30 10 CJEE C=CCCCC(=O)Oc1ccc(Cl)c2ccccc12 1124253126 XQROUEUMRJQBKX-UHFFFAOYSA-N 274.747 4.755 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1CCC[C@@H]1CC)c1ccccc1 1127157564 UPNNHCJGWPLPPZ-WDSOQIARSA-N 299.458 4.821 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 1127762321 FZZYMJVLWYEVPZ-UHFFFAOYSA-N 279.383 4.813 30 10 CJEE C#CCC1(NCc2cc3cccc(CC)c3o2)CCCCC1 1179662710 SXNDWISNKKSPHN-UHFFFAOYSA-N 295.426 4.811 30 10 CJEE C#Cc1ccc(NCc2c(C)cccc2C)c(Cl)c1 1203890088 QCCCNOWZTIKNQI-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE C=CCC1(CN[C@H]2CS[C@H](C(C)(C)C)C2)CCCC1 1205789497 NSZUHSKYLMLJNV-CABCVRRESA-N 281.509 4.633 30 10 CJEE N#CCc1ncccc1-c1cc(Cl)c(Cl)c(Cl)c1 1235914577 SMOMDNGXDKDACA-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCO[C@H](C)C1 1258230875 DCOFBYXQZSSDRI-BBWFWOEESA-N 269.473 4.673 30 10 CJEE C=CCC(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1 1264049781 NKQYWPUYRAFMQW-UHFFFAOYSA-N 273.159 4.501 30 10 CJEE C=CC[C@@H]1N(C(=O)C2CCCCCCC2)CCCC1(C)C 1270792048 CTKKPIZIWDCBMJ-KRWDZBQOSA-N 291.479 4.940 30 10 CJEE C=CCC1(C(=O)N[C@H](C2CCCCC2)C2CCC2)CCC1 1277137694 NUBSGQZYZKZAED-QGZVFWFLSA-N 289.463 4.598 30 10 CJEE C=CCCN[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 1307614189 CHVNTHKDBSWDKP-SFHVURJKSA-N 291.866 4.997 30 10 CJEE C=CCCN1c2ccccc2CC[C@@H]1Cc1ccccc1 1308145956 RXMJHMQNGZOTDY-LJQANCHMSA-N 277.411 4.627 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 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C=CCCCCCCCCNC(=O)c1ccc(Cl)cc1 1524263090 ZRMUTKSDKOZUPB-UHFFFAOYSA-N 293.838 4.987 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1530314007 FPQJDWXELUNBAS-DJIMGWMZSA-N 276.420 4.657 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)cc1Cl 1530450876 ISJJVXLCYYNJTG-VIFPVBQESA-N 272.175 4.534 30 10 CJEE C=C[C@H](C(=O)N(CCCC)c1ccccc1)c1ccccc1 1545269652 LSBIYXBDGFSKIJ-IBGZPJMESA-N 293.410 4.790 30 10 CJEE C#C[C@H](N[C@H](CC)CC1CCCCC1)c1ccc(F)cc1 1560852771 MGALLZNPVRGFSY-MOPGFXCFSA-N 287.422 4.839 30 10 CJEE C=CCCC1(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CCCC1 1586149450 PGEUNDNSPWDDTP-HZPDHXFCSA-N 293.495 4.948 30 10 CJEE C=C(C)CCNC[C@H](C)Cc1ccc(C(C)(C)C)cc1 1620945487 HCEOICAWRHLBKU-MRXNPFEDSA-N 273.464 4.719 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC1CCC(C(C)C)CC1 1621388718 SPCHFFARVUVZPQ-SOAGJPPSSA-N 285.475 4.978 30 10 CJEE C=CCCCCCN1[C@H]2CC[C@H]1CC(CC(F)(F)F)C2 1648500407 QHWVSOJSZFRRQZ-GJZGRUSLSA-N 289.385 4.928 30 10 CJEE C=C(CNC/C=C\c1cc(C)c(C)cc1C)c1ccccc1 1649117605 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N#C[C@@]1(C[C@H]2COC3(CCC3)C2)CCCCC12CCC2 2284778248 YEBKBCUMVOGCFC-WBVHZDCISA-N 273.420 4.590 30 10 CJEE CC(C)(C)Oc1cccc(Oc2ccc(C#N)cc2)c1 2285762276 MFAMRKXRPAUFQF-UHFFFAOYSA-N 267.328 4.528 30 10 CJEE CC1=C(C)C(=O)[C@@H](CCCCCCCCCCO)CC1 2286805216 JWOZUOZYUTUNON-KRWDZBQOSA-N 280.452 4.805 30 10 CJEE C=CCCCSC[C@H](NCCC)c1ccc(F)cc1C 2287079606 VJJWIFZVDVEWFJ-KRWDZBQOSA-N 295.467 4.874 30 10 CJEE C=CCCCCCCCSc1[nH]c(=NCC)ccc1F 2287090293 PLISIARAEHOVLX-UHFFFAOYSA-N 296.455 4.693 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@](C)(C(C)C)CS1 2287983656 UZEKYIPCHRWPDM-DOTOQJQBSA-N 298.540 4.946 30 10 CJEE CCCN[C@]1(C#N)CCCC[C@@H]1CCSC[C@@H](C)CC 2288874055 LWFXTLZKIZITKE-BBWFWOEESA-N 296.524 4.608 30 10 CJEE CN(CC1(CS)CCCCC1)C[C@]12CCCC[C@H]1CC2 2289050464 SOVICIPUCVRBRF-FUHWJXTLSA-N 295.536 4.769 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@H](C)C1 2289869811 UCBXQYIPTSZPNU-QXAKKESOSA-N 275.480 4.765 30 10 CJEE CC(C)(C)CC1CC([C@H](O)C#Cc2cccc(Cl)c2)C1 2289944639 ZOJMXVOZXAHLKR-VMBOVVBDSA-N 290.834 4.515 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC1(C)C)OCCCN 2292733076 CFZPACJRMAJYAL-IAGOWNOFSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@](C)(CCC(C)(C)C)OCCN)CC1 2292908983 KZJPJWBXJQUPRR-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)C(F)F)OCCN 2292957902 LRUAPJGSJMYXRZ-CQSZACIVSA-N 293.442 4.762 30 10 CJEE C=CC[C@H](C)[C@](CC)(OCCCN)c1cccc(Cl)c1 2293517447 WWYYWOUFYJFGSN-YOEHRIQHSA-N 295.854 4.523 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1nc(C)sc1C 2294353813 BVGZECLZAREHQQ-OAHLLOKOSA-N 298.496 4.527 30 10 CJEE CC(C)c1ccccc1[C@H](N)C#Cc1ccccc1Cl 2295222767 WHMKSGMLBPAOHA-GOSISDBHSA-N 283.802 4.515 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1csc(C)c1 2295680296 XTVMWCBEAYQMIJ-SJORKVTESA-N 297.508 4.948 30 10 CJEE C=CC[C@@H](C)Sc1cc(Cl)ccc1CNCC 2298940380 VLWAWMKSACMGPT-LLVKDONJSA-N 269.841 4.506 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1c(Cl)cc(C)cc1Cl 2307628195 ZZDJXRXZOCPBLU-HZMBPMFUSA-N 273.203 4.938 30 10 CJEE CCCCCCCCCC[C@@]1(N)CC[C@H]1SC 2307705418 OLNUDPCWCSJQOT-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE CCCCCC[C@H](C)OC[C@@H](CS)CC(C)C 2308053164 ILLPYNUUMZRWDJ-GJZGRUSLSA-N 260.487 4.954 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@H]2F 2308597377 IRHDWJQZVPVDGO-JONQDZQNSA-N 255.421 4.593 30 10 CJEE C=CC[C@H](C)SCc1cc2sc(C(=O)O)cc2s1 2313521716 ASSXAIAGRYCBEF-QMMMGPOBSA-N 298.454 4.859 30 10 CJEE C=CC[C@@H](C)OC(=O)C=Cc1ccc(Cl)cc1Cl 2313642609 TYHCBXBGYMRHLR-SNVBAGLBSA-N 285.170 4.514 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)cc1 2313686790 QBRYBQJYFDUJEJ-UONOGXRCSA-N 263.450 4.631 30 10 CJEE C=CCC(CC=C)[C@@H](CSC(C)(C)C)NCCC 2316735516 CGZREUKUMHHSKX-OAHLLOKOSA-N 269.498 4.655 30 10 CJEE CCCCCCCCCC=C1CSC2(CNC2)C1 2317567557 OEHNSIKKVQBYLS-UHFFFAOYSA-N 267.482 4.532 30 10 CJEE CCC(C#N)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2317896165 QQTAZLWOEFAWLX-UHFFFAOYSA-N 286.202 4.874 30 10 CJEE C=C(C)CCCNCCCc1cc(Cl)cc(Cl)c1 2318611079 WMJZOCYHRIQOQQ-UHFFFAOYSA-N 286.246 4.872 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(C)cc1SC 2319612336 MBFJOGVPJLEBRC-OAHLLOKOSA-N 263.450 4.724 30 10 CJEE C[C@@H]1C[C@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)CCS1 2320314557 KGBKAWIJOUVHRI-CTASWTNQSA-N 268.466 4.550 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1[C@@H](C)[C@@H]1C)NCCC 2321094943 DNWKCZLDTXQNKQ-OTRWWLKZSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)C(=O)CC1CC(C(F)(F)F)C1 2321140983 LMMIJGOLLFTUEZ-XIVSLSHWSA-N 262.315 4.527 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2325208109 UBDUKWYAYCYMRR-OTYXRUKQSA-N 290.209 4.995 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NCC 2331589969 HTLFTCBKAPTIMQ-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCC2)C1 2332783092 UZJBTQANNHGGLT-UBDQQSCGSA-N 262.437 4.988 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@]12CCC[C@H]1CSC2 2333706655 SOBSUEDBNVNNFS-BBWFWOEESA-N 282.493 4.797 30 10 CJEE N#CC(CC1CC1)(CC1CC1)Nc1ccccc1Cl 2337092353 PBPRALYSAGFDOL-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(CC)cc1 2337108723 IPCNQPSSEXJVKS-BMGDILEWSA-N 257.421 4.644 30 10 CJEE N#C[C@H]1CCCCC[C@H]1NCc1cc(Cl)cc(Cl)c1 2341217780 ABKSRUPUDNYVNS-IUODEOHRSA-N 297.229 4.555 30 10 CJEE C=C(Cl)C[C@@H](NC)[C@H](c1ccccc1)C1CCCC1 2342371191 SUNHYUOZKXRZRX-IAGOWNOFSA-N 277.839 4.691 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC#CCCCC)NCCC 2344344955 UQZGDYGFGFYVAI-ROUUACIJSA-N 263.469 4.931 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cc(F)ccc1Cl)NC 2344348342 JUKRDCIAAIMCQR-CVEARBPZSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)c(CC)c1 2344359230 XSMTWXDWCQTULJ-QZTJIDSGSA-N 259.437 4.810 30 10 CJEE O=CC1(CCC2(C(F)(F)F)CC2)CCC(F)(F)CC1 2344789314 LJFJOGPUJQTPRC-UHFFFAOYSA-N 284.268 4.504 30 10 CJEE C=C[C@@](N)(c1ccc(CCCCCC)cc1)C1CC1 2353133145 JQXYCADJHFYJJR-GOSISDBHSA-N 257.421 4.559 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)[C@@]12CCC[C@@H]1C2 2354024224 FUZAGWBEGLEMEB-CEXWTWQISA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1[C@H]2CCCO[C@@H]12 2355548511 FRGVODVMBMZMPI-ZJPYXAASSA-N 281.484 4.530 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCC2)CCCc2ccccc21 2357668133 QIAAJLLGBZODEP-LNLFQRSKSA-N 265.400 4.611 30 10 CJEE C#CC[C@@H](CC(=O)[C@@H]1C[C@H]1C1CCCCCC1)C1CC1 2357709191 GGTKZJQJENDQKU-OKZBNKHCSA-N 272.432 4.602 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2358666142 VNVKBEQZAXRQDA-JJXSEGSLSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1CC[C@H](COC)C1 2358666247 YBOSEUATKGKKRU-RCCFBDPRSA-N 281.484 4.554 30 10 CJEE CCC[C@H](Nc1ccccc1C#N)c1ccccc1 21806502 AKIQSCBZNJWVEM-INIZCTEOSA-N 250.345 4.512 30 10 CJEE C(#Cc1ccc(C#Cc2ccccc2)s1)c1ccccc1 34301064 RYEUCWVLPGWHQO-UHFFFAOYSA-N 284.383 4.548 30 10 CJEE CCc1cccc(OCCC[C@@H](C#N)c2ccccc2F)c1 57686465 RDRLGDWMPJCCRL-INIZCTEOSA-N 297.373 4.854 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1CNC 59178772 SCLRTPJDDBKFKS-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCCCC(=O)Nc1sccc1C(=O)O 59214947 NVXDYXMMQNUMGK-UHFFFAOYSA-N 297.420 4.526 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1C 68616433 ZFCCJWHCEMDMOF-CPUCHLNUSA-N 270.420 4.724 30 10 CJEE CC(C)COc1cccc(-c2cc(C#N)c(C(C)C)o2)c1 77079376 QNHDCGBAJRZENC-UHFFFAOYSA-N 283.371 4.976 30 10 CJEE Cc1c(Cl)ccc2c(CS)c3c(nc12)CCCC3 82480271 BIXQWVVMCVBKGJ-UHFFFAOYSA-N 277.820 4.505 30 10 CJEE CCCC[C@@H](CC)c1nc2cc(C#N)ccc2n1C1CC1 86636905 XQSARVJZBBZOGL-CQSZACIVSA-N 281.403 4.927 30 10 CJEE CCC[C@H](CS)CSc1ccc(Cl)cc1 87096018 VSNCSDHTEUVKNS-SNVBAGLBSA-N 260.855 4.778 30 10 CJEE CC(C)c1ccc(Oc2cccc(F)c2C#N)cc1 93406760 HHESQZWELPIEPT-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1cccc(C2CC2)c1 94518487 HSAIVYHDCHHFLR-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CSc1cccc(N/C=C\C(=O)c2ccc(C)c(C)c2)c1 103030606 MQDVHIXWWOKPSK-KTKRTIGZSA-N 297.423 4.834 30 10 CJEE CCCCCCC[C@@H](C)NC1CCN(C(C)(C)C)CC1 103151208 BBXDTULZIPYVLN-MRXNPFEDSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(F)c(F)c1 103946386 MVTOGXWTQQBYSS-HNNXBMFYSA-N 255.352 4.715 30 10 CJEE CCCCCCCCCCCC(=O)NCc1ccccn1 106663969 USVWVYFTHATFTA-UHFFFAOYSA-N 290.451 4.619 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C#N 110261732 DKSDPUXWCPGDAC-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1ccc(F)cc1Cl)C(C)(C)C 111650659 JCCOZSBNHPQGMT-GWCFXTLKSA-N 295.785 4.728 30 10 CJEE CC[C@H](Cc1ccccc1)Nc1cc(Cl)ccc1C#N 116383853 QSFDXEVDMMCWKB-MRXNPFEDSA-N 284.790 4.645 30 10 CJEE CCCCCCC[C@H](O)C1(N2CCCCC2)CCCC1 118178381 CJYAUXCGEMCLKU-KRWDZBQOSA-N 281.484 4.507 30 10 CJEE CC#CCC[C@H](CCCCCCCC)NCCC 124647108 SNNABKPAQFFRKH-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CC#CCC[C@@H](NCCC)c1ccccc1C(C)(C)C 124760718 HOODYYVSJDYJPI-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CCCCCCCCCOc1cccc(Cl)c1CO 128149411 KIMMZXGIJKJGKK-UHFFFAOYSA-N 284.827 4.962 30 10 CJEE C=CC[C@@H](NCCC)C1CCC(CCCC)CC1 128798035 UQYNVUCYYKCBDM-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C#CC[C@@H](CC)NC(CCCCC)CCCCC 129742496 IZADMIFVOTVXMP-MRXNPFEDSA-N 251.458 4.907 30 10 CJEE C#CC[C@H](CC)N[C@@H](C)c1ccc(-c2ccccc2)cc1 129824934 JGSXKKGKRDGBLN-JXFKEZNVSA-N 277.411 4.806 30 10 CJEE CCCCCCCCC[C@@H](CC1=CCCCC1)NN 130825655 VVKJMRLNEVAQOJ-KRWDZBQOSA-N 266.473 4.850 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@@H](N)CCC2 135743372 YXCFDTPJANHDRX-KRWDZBQOSA-N 262.441 4.575 30 10 CJEE CSc1cccc(N[C@@H](C)c2cccs2)c1C#N 136624833 YTUBAYNUOKGGBW-JTQLQIEISA-N 274.414 4.515 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(O)c(C)c1 148560335 APVMLBJFRGZLMB-UHFFFAOYSA-N 277.408 4.780 30 10 CJEE CCCCCCCCCCCC[C@@](O)(CN)CCC 150009977 JFQUZDPXSFGDLW-QGZVFWFLSA-N 271.489 4.787 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(Cl)cc1OC 158029573 LVSCZJKGWSLKQJ-HNNXBMFYSA-N 283.843 4.970 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1F 161104621 BIXNRKAWBUUESE-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE Cc1cc(C#N)cc(Sc2cc(Cl)ccc2Cl)n1 161640339 UBYIRNNWAGIQHP-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCCC[C@H](N)C1[C@H]2CCC[C@H]12 162296177 AANUVQOAYFYJNH-JYJNAYRXSA-N 251.458 4.891 30 10 CJEE CCCCCCCCCc1nc2ccc(C)nc2[nH]1 162969704 QGPYDGGGASVFAK-UHFFFAOYSA-N 259.397 4.559 30 10 CJEE CCCCCCCC[C@H](N)C1(OCC)CCCCC1 165150800 WAZJVQBWDCBSNY-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCCC(=O)c1ccc(Cl)nc1 211278303 RYJQGFMPILGDJE-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE CCN(CC(C)C)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 227049094 KOOQNCCRVZLDAE-ZACQAIPSSA-N 278.484 4.709 30 10 CJEE C=C(C)C[C@H]1C[C@H](CCC)CC[C@H]1CNCCC 227526139 CNTLSVVSCYFEJL-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE Cc1ccc(C#N)cc1OCc1c(Cl)cccc1Cl 232335394 RKYPXJVRFZOKBO-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCCCCCCC(=O)c1ccoc1Br 232937912 KOKYNDDUGXFJCU-UHFFFAOYSA-N 273.170 4.585 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@@H](SC)C1 232939061 WODKKFXWYZVODT-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCCC[C@@H]1C[C@@H](N)c2ccccc2O1 232963534 UHOGFNSOJHBWHE-NVXWUHKLSA-N 275.436 4.978 30 10 CJEE C=CCCCCC[C@H](NCCC)C1[C@H]2CCCC[C@H]12 233124037 BJUNPBBNSQQUOX-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(F)cc2Cl)C1 233925218 AGOFCKLVJZWTBA-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c(Cl)c1 236031850 OPRSAQCBHWLMQA-ZIAGYGMSSA-N 274.795 4.592 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@]1(C)C1CC1 250828718 PELQLOMSRMUCDI-RTBURBONSA-N 294.527 4.590 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NC[C@H]1CCC 250844174 ZOHVQBXAFUVJIG-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=C(C)CC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 252638133 ILORSCJZAHDLSS-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CC[C@@H](Nc2cccc(SC)c2C#N)[C@H]1C 252812836 HTMVRRPEORDTJG-OUCADQQQSA-N 274.433 4.517 30 10 CJEE Cc1ccc(N=Cc2cccn2-c2ccccc2)cc1 254442229 QBIRKYQYFCPFDB-UHFFFAOYSA-N 260.340 4.536 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1CCCC(F)(F)C1 310412436 TWCHDGPKDKGEET-CYBMUJFWSA-N 256.336 4.662 30 10 CJEE C=CCCCN[C@H](C)c1oc2ccccc2c1CC 312005361 YZCJFHPMUQZYTK-CYBMUJFWSA-N 257.377 4.612 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc2c(s1)CCCCC2 312209609 NYTKNDNTNZIVDB-OAHLLOKOSA-N 289.488 4.717 30 10 CJEE CC(C)C1CCC(C=O)([C@@H]2CCC[C@@H](C)C2)CC1 317267512 HBZFTQFXWWAPID-KZYLPZIUSA-N 250.426 4.844 30 10 CJEE COc1ccc(Cl)cc1CC1(C=O)CCC(C)(C)CC1 317954408 ZTEJVNHWUUFGTC-UHFFFAOYSA-N 294.822 4.677 30 10 CJEE C[C@H]1CC=C(C(=O)CC/C=C\c2ccccc2)CC1 323809482 NMIMHQQMPAXMKK-ZHMISCPASA-N 254.373 4.796 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CCC1CCCC1 388917958 PZPDNJFOMUKOCQ-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC(C)(C)[C@H]1CSC(=Nc2ccc3ccccc3c2)N1 393995776 DOTCZMKVXWRUAX-OAHLLOKOSA-N 284.428 4.578 30 10 CJEE N#CCc1cc2cc(Cl)sc2cc1C(F)F 396184297 BLBXJPOTSQXSTL-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 398106842 VXGYLAJIBUQZQH-SNVBAGLBSA-N 282.771 4.713 30 10 CJEE CCCCCCC[C@]1(C)[C@H](CC(C)C)NC(=O)[C@@H]1C 399669193 NVHHOIGYMHXPRI-ZOBUZTSGSA-N 267.457 4.534 30 10 CJEE C=C(CC)CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 405721359 NYOAYYAFRSWDSI-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1c(C)cccc1C(C)C 432496788 XQYXMNYVBSMHOT-UHFFFAOYSA-N 288.435 4.842 30 10 CJEE C=C(C)CCS[C@@H](C)C(=O)Nc1ccc(C)cc1Cl 566947816 YQLIZMPUHUWBDV-LBPRGKRZSA-N 297.851 4.675 30 10 CJEE Cc1cccc(C)c1N=C1NC2(CCCCC2)CCS1 687320729 PDELAQHBINKNOA-UHFFFAOYSA-N 288.460 4.720 30 10 CJEE CC[C@H](COc1cc(C)c(C#N)c(C)c1C)CC(F)F 688731800 NMWOBXDTMOAOQV-ZDUSSCGKSA-N 281.346 4.544 30 10 CJEE CCCCCCCCCC[C@@]1(O)CO[C@H](C(C)C)C1 691258476 NRILWILKGRINND-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCC12CCCCC2 693841553 RDRGZONNUWORNL-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE C[C@@H]1CC(CNc2ccc(C#N)cc2Cl)C[C@@H](C)C1 695265145 MVDOSHJTADLRMK-RYUDHWBXSA-N 276.811 4.696 30 10 CJEE CCC(CC)(CS)CN(C)[C@H]1CCCC[C@H]1C1CC1 695815330 LOLQTBSTHZAJFO-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1ccc2c(c1)CCC2 695889838 FRISFGAYKNLAFI-LBPRGKRZSA-N 259.418 4.596 30 10 CJEE SCC1(CN2CCC[C@@H](C3CCCCC3)C2)CCCC1 708235890 KTNFMINSGCHWNB-QGZVFWFLSA-N 295.536 4.769 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CC)CC[C@@H]1CNCCC 710615198 GBZHRCCBYASMOB-RRFJBIMHSA-N 257.849 4.571 30 10 CJEE CCCCCCCC[C@@](C)(O)COc1ccccc1 711006960 DMOKMRGIJAVVQK-QGZVFWFLSA-N 264.409 4.567 30 10 CJEE CC1(C)C(/N=C2/NC3(CCCCCCC3)CS2)C1(C)C 713202617 KHUOAGYCWBAEIU-UHFFFAOYSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC(=O)CCCOC(F)(F)F 713393617 IMLRFFZSYLVMIP-UHFFFAOYSA-N 268.319 4.623 30 10 CJEE CCCCCCCCC[C@@H](N)CCCOC(F)(F)F 713401009 KMYYQXKFFVIRSD-CYBMUJFWSA-N 283.378 4.771 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1sccc1CC 715704889 KUFKTLZSGXWRJD-JSGCOSHPSA-N 251.439 4.563 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCc2ccccc21 715746755 DWQJQFPRJBCPBY-SNRMKQJTSA-N 271.448 4.687 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)C(C)(C)c1ccc(F)cc1 715752394 IAPMJAUTCVINHM-PBHICJAKSA-N 277.427 4.684 30 10 CJEE C=CC[C@H](C)[C@H]1CC(C)(C)CC[C@H]1CNC(C)C 715785714 DXSFDWNRXONNJD-HRCADAONSA-N 251.458 4.639 30 10 CJEE C=CCCC(C)(C)NCc1nc(-c2ccccc2)cs1 717899752 RYDWBFSVNMCGFJ-UHFFFAOYSA-N 286.444 4.645 30 10 CJEE CCCCCCCO[C@@H]1CCCCC(C)(C)[C@H]1NC 719225174 VVTPDWMIERIKPA-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](O)C[C@@H](C)COCc1ccccc1 719466293 PBJPPLUMVFGSSB-MJGOQNOKSA-N 292.463 4.951 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCCC3(CC3)C2)CC1 723585543 HWBBHFPJSQSXPJ-VMWRSERWSA-N 275.436 4.572 30 10 CJEE C[C@H]1C[C@@H](C)CCN(CC2(CS)CCCCCC2)C1 723765185 PQFUBRCKNCTFGG-HOTGVXAUSA-N 283.525 4.625 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccncc2Cl)CC1 724568359 RSIBPDJEWJTXOK-QGZVFWFLSA-N 292.854 4.912 30 10 CJEE C=C1CCC(C[C@H](O)C(C)(C)c2ccc(F)cc2)CC1 724574959 AHQAHDXMFVICTH-KRWDZBQOSA-N 276.395 4.601 30 10 CJEE C=C1CCC(C[C@H]2CCCc3ccccc3[C@H]2O)CC1 724594779 ISTGDLLRJOCAGR-MJGOQNOKSA-N 270.416 4.809 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCCSCC2)CC1 724594997 KPUSJVJDRBSWQQ-DLBZAZTESA-N 281.509 4.634 30 10 CJEE C=C1CCC(C[C@@H](O)c2csc(C(F)(F)F)c2)CC1 724601145 QYZMSCGNSWJYIJ-GFCCVEGCSA-N 290.350 4.937 30 10 CJEE CSc1cc(C(F)F)cc2scc(CC#N)c12 725296234 VAFFQOGSUHBGOV-UHFFFAOYSA-N 269.341 4.627 30 10 CJEE C=CCCCCC[C@H](C)Nc1cccc(N(C)C(C)=O)c1 793547053 ZZAADYKPDDXJJX-HNNXBMFYSA-N 288.435 4.606 30 10 CJEE C=CCCCCCCCNC(=O)C1CC2(CCCCC2)C1 1129465277 CDKNVMSCBQXENE-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=CCCC[C@H](NC(=O)CCCC1CC1)c1ccccc1 1133171535 HFXKSAWNJJAGKG-SFHVURJKSA-N 285.431 4.781 30 10 CJEE C=C[C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1 1136138044 WFMWFOIALLRWRG-INIZCTEOSA-N 279.383 4.718 30 10 CJEE C=C[C@H](C(=O)N1CCC(C)(C)CC(C)(C)C1)c1ccccc1 1166025262 BLEHTOWHLSSYBZ-KRWDZBQOSA-N 299.458 4.631 30 10 CJEE C=C[C@@H]1CCCCN1CCCOc1ccc2ccccc2c1 1169863935 LVSNOQHOESNVQV-LJQANCHMSA-N 295.426 4.649 30 10 CJEE C#CCCCCCCN1CC2(CC=CC2)[C@H]1c1ccccc1 1171718745 KROBOVOWTHJMGJ-HXUWFJFHSA-N 293.454 4.963 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2cc(C3CC3)ccc2F)C1 1202560748 LZYATZLBNYMZSH-GUYCJALGSA-N 273.395 4.538 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 1217619744 FAQSLJMWBZLXAE-NSHDSACASA-N 298.789 4.654 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1SC 1264804840 XNRZFEGTSZWWMT-UHFFFAOYSA-N 283.824 4.603 30 10 CJEE C=CC[C@H]1N(C(=O)c2ccsc2Cl)CCCC1(C)C 1270802129 PUFYBYOVVHNZCG-GFCCVEGCSA-N 297.851 4.608 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](C)c1cc2ccccc2s1 1296474385 DILFKGHQHQVEML-ZDUSSCGKSA-N 287.428 4.681 30 10 CJEE C#Cc1ccc(C(=O)NC(C)(C)CC2CCCCCC2)cc1 1296512873 YYFOHZROMOIMTJ-UHFFFAOYSA-N 297.442 4.537 30 10 CJEE C=C(CNc1cc(Cl)nc(C2CCC2)n1)c1ccccc1 1307134311 BHFDPLBSXLPKSI-UHFFFAOYSA-N 299.805 4.523 30 10 CJEE C=CC[C@@H]1CCCN([C@H](C)c2c(C)cc(C)cc2C)C1 1307914568 HSKVHQZVVSTZKU-QZTJIDSGSA-N 271.448 4.961 30 10 CJEE CCCCCCCNCc1cccc(C)c1Br 1308184386 HGHGQEFMSJHBJV-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE C=CC[C@@H]1N(C[C@H](C)c2ccccc2)CCCC1(C)C 1308725630 WZVDKGMRSFZWIL-WMZOPIPTSA-N 271.448 4.857 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1c(C)cccc1C 1310083503 ROLJQCIQLKCDLQ-CVEARBPZSA-N 286.419 4.560 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2cc(C)sc2C)CCCC1 1355889514 IPPLOIOIVXOHPJ-ZDUSSCGKSA-N 291.460 4.679 30 10 CJEE C=CCC[C@H](NC(=O)C[C@@H](C)c1ccco1)c1ccccc1 1357219715 MCMUVJVRPSZKCU-WBVHZDCISA-N 297.398 4.597 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 1438257499 FAIIGFGHHNQBAQ-WKILWMFISA-N 279.468 4.557 30 10 CJEE C=C(CC)C(=O)Nc1cccc(Sc2ccccc2)c1 1453620453 RPYSLTVEZWRWOF-UHFFFAOYSA-N 283.396 4.743 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccccc1C(F)F 1466916267 FUVWMCZNEDTHMY-UHFFFAOYSA-N 296.361 4.738 30 10 CJEE C#CCCCCCCSc1cccc(C(=O)OCC)c1 1473027196 RDASKOSBOYGUSX-UHFFFAOYSA-N 290.428 4.539 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H](CC)C2)c1 1477187882 XIWVLWULBIQNHU-GOEBONIOSA-N 286.419 4.810 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccco1)c1ccc(C)c(C)c1 1524723840 DPKLPEQXCAPLCS-UHFFFAOYSA-N 297.398 4.786 30 10 CJEE C=CCCCCCCNC(=O)[C@H](C)c1cccc(Cl)c1 1525484007 VWGFQTYMOMIZRO-CQSZACIVSA-N 293.838 4.696 30 10 CJEE C=CCCCCCCNC(=O)c1cc(SC)ccc1C 1532060269 CTFZDPMVGRGMNN-UHFFFAOYSA-N 291.460 4.583 30 10 CJEE C=CCC1(C(=O)N(Cc2cccc(C)c2)CC(C)C)CCC1 1533004275 PUEMQMSMYDCALF-UHFFFAOYSA-N 299.458 4.726 30 10 CJEE C=CCCCCSc1nnc(-c2cc(C)cc(C)c2)o1 1559343969 QATXOGLVNDKRAU-UHFFFAOYSA-N 288.416 4.802 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1559741950 YGPZLNCCGCJMTM-INIZCTEOSA-N 290.410 4.842 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C)cc1Cl 1560248600 YWFLVKXWHHCSFB-XJKSGUPXSA-N 293.838 4.573 30 10 CJEE C=C[C@@H](CC)CC(=O)N1c2ccccc2[C@H](C)CC1(C)C 1583815404 OFJVBHMBFSHCMZ-CABCVRRESA-N 285.431 4.908 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)CCCCC1 1586331773 PBVONFQFLBJOIX-ZACQAIPSSA-N 291.479 4.702 30 10 CJEE CCOc1ccccc1C#Cc1ccc(Cl)c(Cl)c1 1614750460 LRWIISSYKIGPQN-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE Fc1ccc(C#Cc2ccccc2C(F)(F)F)c(Cl)c1 1614827221 QOUSYMYRDLVNBB-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(c1)C=CCCC2 1617924993 UKWDLEBBPKTJQD-CQSZACIVSA-N 269.388 4.577 30 10 CJEE C=CC(C)(C)CCCNC[C@H](OC(C)C)c1ccccc1 1621510685 FFGYGAFEPFNNCF-SFHVURJKSA-N 289.463 4.735 30 10 CJEE C=CCCCCNC(=O)Nc1cccc([C@@H](C)CC)c1 1626411102 FRHQDOYZSGJMOM-AWEZNQCLSA-N 274.408 4.678 30 10 CJEE C=C(C)CCC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 1637867497 XUPHDHANQPOBTD-SFHVURJKSA-N 285.431 4.830 30 10 CJEE C#Cc1ccc(NCc2cccc(C3CC3)c2)c(Cl)c1 1651631383 DLYVJEXOGBILII-UHFFFAOYSA-N 281.786 4.811 30 10 CJEE C=CCC[C@@H](C)Nc1cnn(-c2cc(C)ccc2C)c1C 1652022701 YEYBJHNXEKQGDP-OAHLLOKOSA-N 283.419 4.564 30 10 CJEE C=CCC[C@H](CC)NCC1CCc2ccccc2CC1 1652874871 QAKNPKIPTJHMKP-IBGZPJMESA-N 271.448 4.516 30 10 CJEE C=CCCN[C@H](CCC(C)C)c1ccc(Cl)cc1 1653919285 WICMSVSLQZLTHV-MRXNPFEDSA-N 265.828 4.983 30 10 CJEE C=CC[C@H]1CCCN(CCCCc2cccc(Cl)c2)C1 1654178141 VPWIDRNIEUDUFZ-KRWDZBQOSA-N 291.866 4.951 30 10 CJEE C=C(C)CCN1CC2(CCCCC2)[C@@H]1c1ccccc1 1654676051 XJKCSISDUGAJPF-SFHVURJKSA-N 269.432 4.960 30 10 CJEE C=C(CC)CN[C@@H](C)c1ccc(SC(C)C)cc1 1657931250 CTAQHKKTXATMEQ-AWEZNQCLSA-N 263.450 4.804 30 10 CJEE C=CCC[C@H](NCC(C)C)c1ccc(C(F)(F)F)cc1 1657968516 UDMQUXUELWZLNJ-HNNXBMFYSA-N 285.353 4.958 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cc2cccc(CC)c2o1 1659039772 DDVWJPJNUUEOFL-MRXNPFEDSA-N 269.388 4.536 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCSC(C)(C)C 1659401837 VOAMSQJWXYVSDJ-GJZGRUSLSA-N 269.498 4.633 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(-c2ccncc2)cc1F 1662044350 PNDKNVFFTMMICQ-HNNXBMFYSA-N 298.405 4.722 30 10 CJEE C=CCCC1(CNCc2csc(C)c2)CCCC1 1662861957 HIOYBXDIQWTNFZ-UHFFFAOYSA-N 263.450 4.673 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(C)c1 1671320960 MLZGKFGHQGHGAC-AWEZNQCLSA-N 292.810 4.611 30 10 CJEE CC#CCCC[C@H](NCCC)c1cnc(C(C)C)s1 1879642168 WJZMRKMNPQJQMT-AWEZNQCLSA-N 278.465 4.501 30 10 CJEE CC#CCCC[C@@H](NC)C1CCC(CCCC)CC1 1879645632 YCOHZTKBCSRDSJ-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@H]1C(C)=CCC[C@@H]1C 1879651399 SDZDEFQFGAZEJR-OKZBNKHCSA-N 261.453 4.541 30 10 CJEE CC[C@H]1CCC[C@@H](N(CC#N)C2CCCCCC2)C1 1883304187 ZLCGPDWKJKBQFF-DOTOQJQBSA-N 262.441 4.504 30 10 CJEE C=CCCCCCN(C)C[C@H]1CCCCCC1(F)F 1884238820 ZCIWLGPWABIENZ-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE CC#CCCCCN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1885234973 FGOYDLBUGXSPNI-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE CC#CCCCCN1CCC[C@@H]1C1CCCCCC1 1885370097 LYNCOSUNKPRFGE-GOSISDBHSA-N 261.453 4.615 30 10 CJEE C#CC[C@H](C)C[C@](CC)(CCCC)CNCC(C)C 1887464428 MVGGTFOUVBZWEX-ROUUACIJSA-N 265.485 4.868 30 10 CJEE C=CCC(CC=C)Sc1ncc(Br)cc1C 1899432199 KGWFUCNBWYAZQZ-UHFFFAOYSA-N 298.249 4.765 30 10 CJEE C=CC[C@H](C)O[C@H](C)C(=O)c1ccc(Cl)cc1Cl 1913339839 KILPOKBUBFDCLK-VHSXEESVSA-N 287.186 4.546 30 10 CJEE C=CCOc1ccc([C@H](O)C[C@@H](C)CC(C)(C)C)cc1 1920023493 OBCZYCGZYIRMPV-RHSMWYFYSA-N 276.420 4.747 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](N)[C@@H]1CCC[C@H](CC)C1 1920381750 BCTHKPMNWZJJBR-MLHJIOFPSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCCC(C)(F)F)NC 1920832886 ZEGRBKHQTHNYGH-GJZGRUSLSA-N 293.442 4.511 30 10 CJEE CC[C@](O)(c1ccc(Cl)cc1)[C@]1(C#N)CCC[C@@H](C)C1 1921034924 WKWMOZRZGURNEH-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](CCCC(F)F)NCC 1921152833 CCFYSOSRMUQSCQ-GOEBONIOSA-N 293.442 4.511 30 10 CJEE C=C(COCc1ccccc1)[C@H](NC)C(CCC)CCC 1922114618 ZWHIUWQPQMCOAQ-IBGZPJMESA-N 289.463 4.564 30 10 CJEE C=C([C@H](NCC)[C@@]1(C)CC[C@H](C)C1(C)C)[Si](C)(C)C 1922872629 HBHIBMXUNYWVLE-JLJPHGGASA-N 281.560 4.861 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H](C)C1CCCCC1 1924148641 NDZVEWVPVWBJKM-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](C)S1 1946340947 RBRWNRJWMLHWOY-ILXRZTDVSA-N 258.471 4.772 30 10 CJEE C#CCCC[C@H](NCCC)c1scc(Cl)c1Cl 1947153330 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QLQOOGUGKKUGJK-RNCFNFMXSA-N 272.219 4.775 30 10 CJEE C=C(F)C[C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 2310409098 PYTPDIIIJRZRRA-XNRPHZJLSA-N 255.421 4.690 30 10 CJEE CSc1ccc(C=C2Oc3cc(C)c(C)cc3C2=O)cc1 2314519531 RTBZKSHTKRAOGQ-UHFFFAOYSA-N 296.391 4.642 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(CC)C(F)F 2315004318 SRDFPVDDCYOFFO-DZGCQCFKSA-N 261.400 4.912 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCCC(C(C)C)C(C)C 2315492526 ZQYSZEQQWHUUSC-RDJZCZTQSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)[C@H](O)C(C)(C)C1CCCCC1 2316716568 ZKXDEMNGYAUKNP-INIZCTEOSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 2316734206 ONICMOKNQRIYIY-PMPSAXMXSA-N 250.426 4.578 30 10 CJEE C=CCC(CC=C)[C@](C)(O)C1CCC(C)(C)CC1 2316740982 HMXCFOKMDZYLLS-KRWDZBQOSA-N 250.426 4.722 30 10 CJEE C=CCC(CC=C)c1ncc(C)cc1C(F)(F)F 2316747373 QAWUHYFJWSJVQN-UHFFFAOYSA-N 255.283 4.645 30 10 CJEE C=CC[C@@H](C)[C@@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2321229856 ZKTAZCBWRATOTH-IWCQGFGOSA-N 250.426 4.556 30 10 CJEE CCCOc1ccccc1C=CC(=O)c1ccc(CC)cc1 2322350526 RDDGHXBRQDWMOU-UHFFFAOYSA-N 294.394 4.934 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@H]1CCC12CCC2 2327112193 IEDAXYWHHZOGLI-UKRRQHHQSA-N 270.482 4.566 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2329749326 NPWXAONGDMWPEU-SEBNEYGDSA-N 267.363 4.778 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332782032 HNGZXHLUGNGCOL-UBDQQSCGSA-N 256.389 4.576 30 10 CJEE C[C@@H]1C[C@@](C#N)(C[C@@H]2C[C@H]2c2ccccc2)CCS1 2332826079 VLGNSZAAYFKZGU-BSWAZPDLSA-N 271.429 4.606 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@@H](C)CC1CC1 2335188569 RQLBKXNFMIFUBI-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)cc(F)c1CNCCC 2335232705 SHQOVJBUGBHJJN-CYBMUJFWSA-N 281.440 4.690 30 10 CJEE Cc1c(F)ccc(C[C@@]2(C#N)C[C@H]3CC[C@H]2C3)c1Cl 2339306865 WNOXAZQKZONKPX-DETPVDSQSA-N 277.770 4.660 30 10 CJEE C=CCCCCCCCCC=C1CCC2(CNC2)C1 2339837979 HMYMLNHRVVJXBV-UHFFFAOYSA-N 261.453 4.993 30 10 CJEE CC(C)[C@H](C)[C@@H](C)N(C)CC1(CS)CCCCCC1 2339891593 DKTPWXYSGLSWIS-JKSUJKDBSA-N 285.541 4.869 30 10 CJEE Cc1c([C@@H](C#N)NC2CCCCC2)ccc(Cl)c1Cl 2340524985 FGDQIWRBEMAPKY-CQSZACIVSA-N 297.229 4.789 30 10 CJEE CCC(C)(C)N(CCC#N)CCCC1=CCCCC1 2341095368 FAKBMWXJFSRZOC-UHFFFAOYSA-N 262.441 4.671 30 10 CJEE C=C(C)CC[C@@H](N)[C@@H](c1ccccc1)C1CCCC1 2342362386 QCCLLWYCVJINPW-MSOLQXFVSA-N 257.421 4.644 30 10 CJEE C[C@H](CS)COC[C@@H](c1ccccc1)C1CCCC1 2342481838 KEKGYPGGZLCICH-YOEHRIQHSA-N 278.461 4.543 30 10 CJEE C=C1CC([C@H](CC[C@H]2CC[C@H]2C2CC2)NCCC)C1 2342553412 CIXCPSVUSCZRBC-NJAFHUGGSA-N 261.453 4.537 30 10 CJEE C=C([C@H](NCCC)[C@H]1CC[C@H]1C(C)(C)C)[Si](C)(C)C 2343076648 VDRKNLFTTOEHOZ-XHSDSOJGSA-N 281.560 4.861 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)C1=CC[C@@H](C(C)C)CC1 2344376345 GEOKPRXQPQWBGF-WBVHZDCISA-N 263.469 4.949 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cccc(OC)c1Cl 2344383377 IIQOCYZRDGBFKP-OAHLLOKOSA-N 281.827 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1cc(Cl)ccc1F)NC 2344395120 HWJUISMFDPYLIC-HOTGVXAUSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H]1CC[C@H]1C1CC1)NCC 2344398723 YJLZKCWZQSOXTC-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1c(C)cc(C)cc1C 2344461884 FXQJLEFHHUIWAO-QZTJIDSGSA-N 260.421 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1ccccc1C(C)C 2344464734 AZHRAZGGOCSFQZ-MSOLQXFVSA-N 260.421 4.706 30 10 CJEE CC1(C)CC[C@@H](CC[C@]2(C#N)CCOC(C)(C)C2)C1 2344861610 LZASVKUDKDGSDO-YOEHRIQHSA-N 263.425 4.692 30 10 CJEE CN(Cc1ccc(Cl)cc1)CC1(CS)CC(C)(C)C1 2345020006 YZIOTGQTVJSSNY-UHFFFAOYSA-N 297.895 4.508 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC1CC2(C1)CC21CC1 2352178309 IDPXWFYKWXKSFR-GNHJJJEISA-N 282.493 4.566 30 10 CJEE CC(C)c1cccc(NC[C@@H](C#N)C(C)(C)C)c1F 2352916441 MZSDURHBVOSWPV-GFCCVEGCSA-N 262.372 4.547 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC[C@H](COC)C1)NC 2356005422 SBHGBUGALQLQOD-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(Cl)nc(C(C)C)c1 2360218783 XYCZCJOYBRGGMO-UHFFFAOYSA-N 293.794 4.536 30 10 CJEE Fc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 6240533 XSWRDLMVWFKPCW-RCCKNPSSSA-N 290.341 4.998 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(OCC#N)cc1 22154344 JCQFOXIEWZCFFY-SJORKVTESA-N 286.419 4.606 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 37393238 VRSYXTYBXNRMBS-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC/C=C\C[C@@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O 38527865 PMTMAFAPLCGXGK-WGTGFREXSA-N 292.419 4.529 30 10 CJEE biogenic,in-vitro CCCCCCC[C@H](C)Nc1ccc2[nH]ncc2c1 59431503 FHCJFKYUECQYFQ-ZDUSSCGKSA-N 259.397 4.724 30 10 CJEE CCCCCCCCNc1ccccc1CN(C)C 59487472 CPVCSENNBYZYFJ-UHFFFAOYSA-N 262.441 4.521 30 10 CJEE CCc1cccc(Nc2c(C#N)cnc3ccc(C)cc23)c1 64438629 BNVMUZHWEORDDI-UHFFFAOYSA-N 287.366 4.721 30 10 CJEE CC(C)C1CCC(C#N)(CCCOCC(F)(F)F)CC1 87960040 UDBYVISTYTWAHD-UHFFFAOYSA-N 291.357 4.702 30 10 CJEE CCCc1c(-c2ccc(SC)cc2)sc(C#N)c1N 93074588 MVSUUTMWJKDAQO-UHFFFAOYSA-N 288.441 4.543 30 10 CJEE CCCC(CS)(CCC)COc1cccc(OCC)c1 94584935 WHKZVDPBGFKTFL-UHFFFAOYSA-N 296.476 4.981 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(F)cc1Cl)NCCC 97208686 HOTKPRDBNUXKSK-OAHLLOKOSA-N 283.818 4.746 30 10 CJEE CCCN(CCCCCCCCCS)CC(F)(F)F 97799308 XOJILUOWKPDZNX-UHFFFAOYSA-N 299.446 4.921 30 10 CJEE CCCCCCCCOc1ccc(Cl)c(CNCC)n1 110157847 VUAMFXUEIAGFPD-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NCCC1CCCC1 110254529 RVDVQETWQKRFBZ-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCC[C@@H]2C)C1 110264897 NEZWTSZWFGVRRN-QXDIGNSFSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCC(=O)Cc1cccc(OC)c1 112883733 ZCEGZPCKOKIVEN-UHFFFAOYSA-N 276.420 4.948 30 10 CJEE CC1(C)[C@@H](Nc2cccc(Cl)c2C#N)[C@]2(C)CC[C@@H]1C2 112953054 KVNBEUACFDQIIZ-RGYTYGDFSA-N 288.822 4.838 30 10 CJEE CCCCCCCCCCN1CCNC2(CCCCC2)C1 114055040 NJJWFURCFDMTKG-UHFFFAOYSA-N 294.527 4.735 30 10 CJEE CCCCCCCCCCN1C[C@@H](C2CC2)NCC1(C)C 114072852 ATWUMLXRTUBYLT-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(Cl)c(O)c1 115063847 SGXKROJYECMQKD-UHFFFAOYSA-N 283.799 4.735 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccsc1 115066118 ZJCKIQRLDHODHC-OAHLLOKOSA-N 254.439 4.792 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccccc1[N+](=O)[O-] 115858357 ZWVHXZCOLCSVIQ-INIZCTEOSA-N 292.423 4.605 30 10 CJEE CCCCCCCC(=O)C(C)(C)N1CCCCCC1 118148915 QUWDZTYEHPJYSF-UHFFFAOYSA-N 267.457 4.571 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1ccn([C@@H](C)CC)n1 124897745 BABOGXOQZSPCJI-FUHWJXTLSA-N 294.483 4.898 30 10 CJEE CCCCCCCCCC[C@H](C)[C@@H](C)NCCOC 128089999 AJXXSKGUKGHXIS-DLBZAZTESA-N 271.489 4.778 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1cc2c(s1)CCCC2 129393446 PABOJABPCLVIRV-ZDUSSCGKSA-N 296.439 4.866 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1CCCc2cccnc21 130233235 ULWAWSNCONYKEV-IAGOWNOFSA-N 275.436 4.613 30 10 CJEE CCC[C@H](Nc1cc(OC)ccc1C#N)c1cccs1 130429342 ARSOKCBOMRFQCO-AWEZNQCLSA-N 286.400 4.582 30 10 CJEE CCSc1cccc(Oc2ccccc2C)c1C#N 136704985 MMMFOBAUSCAHET-UHFFFAOYSA-N 269.369 4.771 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1Cc2ccccc2S1 140263373 YXCFWYQVJPMIOI-RDJZCZTQSA-N 277.477 4.781 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cncn1C 157799112 YDEPDCMPECBRII-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CCCCCCCOc1c(Cl)cccc1CNC1CC1 169168600 VXDKXGXUAPYJOK-UHFFFAOYSA-N 295.854 4.941 30 10 CJEE CCCN(CCC)[C@@H](C#N)c1cccc2ccccc12 212987226 WCSUEHLBWJTXDC-SFHVURJKSA-N 266.388 4.526 30 10 CJEE C=C(CC)C[C@H]1C[C@@H](CCC)CC[C@H]1CNC1CC1 227526961 PISYZPPNEUVADH-ULQDDVLXSA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@@]1(OCC)CCC[C@@H](C)C1 229069623 IVXPNJCLSNKQNW-FGTMMUONSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CNC(C)C 229121080 HACBBTSAEDCTTK-GOSISDBHSA-N 284.532 4.883 30 10 CJEE CC(C)(CCC#N)CNc1ccccc1SC(F)F 229668520 GYKYYAJQBNVQFZ-UHFFFAOYSA-N 284.375 4.743 30 10 CJEE CCCCCCCCCCOC1CCC(CO)CC1 232933680 NOOKEYYBVGPQOV-UHFFFAOYSA-N 270.457 4.695 30 10 CJEE CC[C@H](C)c1ccccc1NC(=O)Nc1ccc(C#N)cc1 244092807 UETJQJOKVATMRJ-ZDUSSCGKSA-N 293.370 4.716 30 10 CJEE CC(C)(C)[C@@H]1CCCN([C@H]2CCCCC[C@H]2C#N)CC1 250708766 QUBUZQFRUWKANJ-BBWFWOEESA-N 276.468 4.607 30 10 CJEE CCCC[C@@]1(C)CN(C[C@H](C)C#N)c2cc(C)c(C)cc2N1 251266250 CJQYLEFPAKHUDW-KUHUBIRLSA-N 299.462 4.644 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 252896265 BFYPIEZJSWQDRP-OKYOBFRVSA-N 272.432 4.684 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(COC)CCCC1 312953211 MVZAFERJMOCUQT-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CC(C)[C@@H](C)[C@H](C#N)c1ccc(Cl)cc1Cl 319980319 XGZUAKOXZYYJDP-SKDRFNHKSA-N 256.176 4.893 30 10 CJEE C=CCCCN[C@H](C)c1sc2ccccc2c1C 381108395 SVWGGVSZGAFXFX-CYBMUJFWSA-N 259.418 4.827 30 10 CJEE CCC(CC)(CS)COC[C@H]1CCC[C@@H](C)C1 383129337 RBKQYACZXNKXBK-KGLIPLIRSA-N 258.471 4.566 30 10 CJEE CCCCCCCCC[C@H](O)c1[nH]cc(C)c1C 385428487 KYLXFRPGNNDIQY-HNNXBMFYSA-N 251.414 4.806 30 10 CJEE C=C([C@H](NCC)c1ccc(Cl)c(Cl)c1)C(F)(F)F 385658274 XLKAUVGHOKFSPH-NSHDSACASA-N 298.135 4.763 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H](OC)c2ccccc2)C1 393380179 VDLVIKFFPKNQNY-NJAFHUGGSA-N 271.404 4.874 30 10 CJEE C=C(CNc1ccc(CC)c(C)c1)c1ccccc1 394103401 WLHVVBQGFFZNAZ-UHFFFAOYSA-N 251.373 4.683 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)c(F)c(F)c1F 395811547 LAXYIPZSEPAYKB-GFCCVEGCSA-N 291.332 4.993 30 10 CJEE N#CCc1cc2ccc(Cl)c(C(F)F)c2s1 396196545 XRBUTYVYGMXLFY-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](O)C[C@@H](C)C1 401496703 LCNWSLORJGJTGM-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)CC(F)(F)F)NC 402912447 ZNKULGUYZYPXIQ-STQMWFEESA-N 267.379 4.914 30 10 CJEE CCCCCCC[C@H](NC)[C@H](C)CC(F)(F)F 402915392 GLECDRBUDCGPCC-NEPJUHHUSA-N 253.352 4.523 30 10 CJEE C=CCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 404277095 FWABWHDKKLVYMM-CQSZACIVSA-N 273.203 4.947 30 10 CJEE CCCCCCCCC[C@H]1[C@H](C)OC[C@@H]1NCCC 405738626 OGPJGAUQOVWJQO-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE Cc1cc(C)c([C@H](C)NCC2CCC(C#N)CC2)cc1C 442867322 NYSIFHUIZBCBNN-AOCRQIFASA-N 284.447 4.592 30 10 CJEE CO[C@H](CSCCCCC(C)(C)C#N)C1CCCC1 596401100 JQNVFXGGGZMTIC-OAHLLOKOSA-N 283.481 4.645 30 10 CJEE C#CCCCCC[C@H](O)c1ccc(CC(C)C)cc1 686672824 HAAYONINGJZVSO-SFHVURJKSA-N 258.405 4.502 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccnn1CC(C)C 687056270 NMXUFCPTYNQBJL-MRXNPFEDSA-N 279.472 4.680 30 10 CJEE CC[C@H](/N=C1/NC2(CCCCC2)CCS1)C1CCCC1 687317933 BAAWGPDPYWOWGO-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE Cc1nc(CC2(C=O)CC(C)(C)CC(C)(C)C2)sc1C 688005489 LAHOXVMQYTZHPU-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE CC[C@H](C)C[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316601 VACPRZHUZAZMEY-KBPBESRZSA-N 265.441 4.530 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1OC 689912830 AVYGQJGMBUZHNE-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)cc(F)c1F 690966131 BPKUIWCHNBXAJV-CABZTGNLSA-N 284.737 4.503 30 10 CJEE CCc1ccc(N[C@H](CC#N)c2ccccc2)cc1Cl 691227485 BLJCYNYTQOCWBL-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)c(F)c1 692234375 IQHWTYIJGUFPFG-OGHNNQOOSA-N 279.374 4.750 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCC[C@@H](C)CC2)C1 697854737 HYKZASFFLYGZJF-DUQPFJRNSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCC[C@H](C)CC2)C1 697854739 HYKZASFFLYGZJF-OBVSXPTNSA-N 276.468 4.605 30 10 CJEE CCC(F)(F)C(C)(C)C[C@](C)(C#N)c1ccccc1 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C=CCC(CC=C)Oc1ccccc1[C@@H](C)NCCC 2360219409 IIGKWJBTNDEGGQ-OAHLLOKOSA-N 273.420 4.647 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCc2ccccc2[C@H]1NCC 2360323909 LUWXTDHKNDMBRO-BMGDILEWSA-N 289.488 4.740 30 10 CJEE CCC[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 36931063 DMDZWANGFNJRQO-BXKDBHETSA-N 284.186 4.606 30 10 CJEE N#Cc1cccc(Nc2nc3cccc(Cl)c3s2)c1 37206609 YFXBHZIHBUMIML-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C)c2ccccc2Cl)c1 51579972 NQWDKONXKRUWFD-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCc1ccccc1N[C@H](CC#N)c1ccccc1 55018346 VVXGZNZLHKUBLH-GOSISDBHSA-N 264.372 4.706 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2ccccc2Cl)cc1 57685277 GIIINYWBAVLUNG-CQSZACIVSA-N 285.774 4.725 30 10 CJEE Cc1cccc(C)c1OCCC[C@H](C#N)c1ccc(F)cc1 57685601 DKEMEGIHELJDQA-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE COc1ccc(C)cc1C[C@@H](C#N)c1ccc(C(C)C)cc1 57762127 YQSIQSUFCSDWFC-IBGZPJMESA-N 293.410 4.977 30 10 CJEE CCCCCCCCNc1ccc(C)cc1C(=O)OC 59422967 IZIFVXKVTFBFQG-UHFFFAOYSA-N 277.408 4.554 30 10 CJEE CCN[C@](C)(C#N)C[C@@H](C)Sc1ccc2ccccc2c1 68625578 QRVBWDMLUXADMN-KDOFPFPSSA-N 298.455 4.602 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(NC2CCCCCC2)CC1 86914919 YURRANBFEIITJO-DOTOQJQBSA-N 262.441 4.551 30 10 CJEE C=CCC[C@@H](Cc1cccc(C(F)(F)F)c1)NCCC 88714345 HTYCXTCZCGYTLF-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE CC1CCC(C#N)(C[C@H]2CSc3ccccc32)CC1 92297220 SGNREVJXPULXFS-UUCFBXCCSA-N 271.429 4.986 30 10 CJEE Cc1ccc(N(C)CC2(CS)CCCCCC2)cc1 94580216 PIHXSCAWQCRFNY-UHFFFAOYSA-N 277.477 4.702 30 10 CJEE Cc1ccccc1SCC1(CS)CCCCC1 94589332 FLEGZLOVMREYOC-UHFFFAOYSA-N 266.475 4.967 30 10 CJEE C=CCCCCCCCCCNC(=O)OC(C)(C)C 95533230 ANUKLJFCFGJRSF-UHFFFAOYSA-N 269.429 4.818 30 10 CJEE C=CCCC[C@@H](NCC)[C@@H]1CCCc2sccc21 97220307 MCCNZKSPSKCBPM-UKRRQHHQSA-N 263.450 4.502 30 10 CJEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(F)c(Cl)c1 97635491 KPAUAZJTWFFFMT-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC#CC[C@@H](C)c1ccc(CC)c(Br)c1 107478142 LNARDASUOVWVMZ-LLVKDONJSA-N 265.194 4.528 30 10 CJEE CCC#C[C@H](C)Cc1cc(Cl)cc(Cl)c1OC 107654998 LOERMMCOZSHQPM-JTQLQIEISA-N 271.187 4.594 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cnccn1 107685624 QXCFUKJWPNCIBJ-INIZCTEOSA-N 277.456 4.658 30 10 CJEE CCCCCCCOC[C@@H](O)C12CC3CC(CC(C3)C1)C2 110022341 QRZPGQMNYVBUPK-GSBYPIHSSA-N 294.479 4.551 30 10 CJEE CCCCCCCCO[C@H](CNC)c1ccccc1C 110070285 ZATAEJVQRNJENZ-GOSISDBHSA-N 277.452 4.633 30 10 CJEE CCCCCCCOC[C@H](NC)c1ccc(CCC)cc1 110081488 OOCANKFTRDDLBU-IBGZPJMESA-N 291.479 4.887 30 10 CJEE CCCCCCCCC[C@]1(CNCCC)CCOC1 110213395 CCYGREKAFGEYLO-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE CCCCCCC[C@@](C)(NC1CCCCC1)C(=O)OCC 110321226 YDSNMNIHVGHQER-GOSISDBHSA-N 297.483 4.591 30 10 CJEE CCCCCCCCC[C@@H](COCCC)NCC 110446570 ZFSHULQKOXULJO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@H]1CCC 114349022 IWMDLQROJOZALH-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@](C)(SC(C)(C)C)C(=O)O 114391714 ATLXEXBZSJJZTQ-AWEZNQCLSA-N 260.443 4.722 30 10 CJEE CCCCCCCC(=O)N1CCCC[C@@H]1c1nccs1 115366892 SFZSVZLCAIFESD-CQSZACIVSA-N 294.464 4.557 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NCCC)[C@@]1(C)CC 117339983 RGQNMUGOERBTRL-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(OC(C)C)cc1 123055698 QDKQTALGANUGFZ-GOSISDBHSA-N 292.467 4.729 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cccc(CC)c1 124290115 VXWIYSOBLJIBHS-GOSISDBHSA-N 276.468 4.894 30 10 CJEE COc1ccc(C#N)c(Oc2ccccc2C(C)(C)C)c1 130501317 AJQHCELIKOWVDF-UHFFFAOYSA-N 281.355 4.657 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)COC)NCC 139438963 PNNXPQIOOJMVKU-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cccnc1OC 143451608 LNQNXRNFMCRVOI-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](NC)[C@H](C)C1 168652174 XKOJOLMKFOIWEW-RTBURBONSA-N 296.543 4.837 30 10 CJEE N#Cc1cc(Cl)ccc1NCCCC1CCCC1 225323217 SNLSEFWQBLRMMX-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE N#CC1(C[C@H]2CCC3(CCCCC3)O2)CCCCC1 229465285 GRNQYDPSXAKUTG-OAHLLOKOSA-N 261.409 4.732 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 230774092 AYGNDNWKJYRBKE-CZUORRHYSA-N 274.383 4.714 30 10 CJEE C=CCSCCN[C@@H](CC(C)(C)C)c1ccccc1 231931033 SWEZYBWAHJGSNJ-INIZCTEOSA-N 277.477 4.673 30 10 CJEE CC(C)(C#N)CCCCNc1cc(Cl)ccc1F 232514594 KKHWBIWHEGKAOC-UHFFFAOYSA-N 268.763 4.611 30 10 CJEE CCCCCCCCNc1cc(C)c(F)cc1[N+](=O)[O-] 232941661 ZLSHYHAQJZAZKL-UHFFFAOYSA-N 282.359 4.815 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)cc1C 233160373 NLBQNCIYHVTJAV-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ccc(C#N)cc1 252392728 WPUWTGGZYHIVRL-BMGDILEWSA-N 284.447 4.814 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1CO[C@H](C)C1 252900560 JMQXMZUQOPEWMB-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CC(C)c1nc2ccc([C@H](CC#N)C3CC3)cc2s1 260642622 RVYJZCAMQDCEJR-CYBMUJFWSA-N 270.401 4.827 30 10 CJEE CCCCCCC[C@H](NCC)c1cc(C)c(C)o1 302443435 UIMJJILCLGJUPV-HNNXBMFYSA-N 251.414 4.908 30 10 CJEE CCCCCCCC[C@@H](Cc1sccc1Cl)NN 304470322 AKVSKLYSFMSWMS-LBPRGKRZSA-N 288.888 4.527 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3ccc(Cl)cc3s2)c1 308150031 GVPOMANYQSGRBW-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C=CCCC[C@H](N)c1ccccc1OCc1ccccc1 310020418 RCQIHKJJUHXRKE-SFHVURJKSA-N 281.399 4.622 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(N)cc1Cl 310778732 WQPNIRPYMBXLKQ-OAHLLOKOSA-N 269.816 4.706 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@@H]2CCCCC[C@H]2O)CC1 312640201 ZQTYICHYBZLQHF-GARNVTTQSA-N 277.452 4.674 30 10 CJEE Cc1ccc(N2CC[C@@H](C)c3ccccc32)c(C#N)c1 312955388 LSKBUIKJYAQXAB-CQSZACIVSA-N 262.356 4.512 30 10 CJEE C=C(CC)CNCc1c(Cl)ccc(Cl)c1Cl 313494610 UKBVATUCOLPARU-UHFFFAOYSA-N 278.610 4.703 30 10 CJEE Cc1ccc(CC2(C#N)CCCCC2)cc1Br 314636980 RNGIFRWISHRDSY-UHFFFAOYSA-N 292.220 4.774 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(Cc2csc3ccccc23)C1 317690384 JHLXVNYAWAYZQO-DYVFJYSZSA-N 272.413 4.839 30 10 CJEE CC[C@H]1CCC[C@](C#N)(COCCC(C)(C)C)C1 328153858 GBDOBMFNXGDNDO-HOCLYGCPSA-N 251.414 4.549 30 10 CJEE CCCCCCC[C@H](N)C[C@H]1CCCC(F)(F)C1 380009626 GKRORTGQXAUBCH-KGLIPLIRSA-N 261.400 4.890 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@H]1CCOC2(CCCCC2)C1 384820550 FAZZJZIIFXNIAF-SOLBZPMBSA-N 275.436 4.836 30 10 CJEE C[C@H](/N=C1/N[C@H](C2CCCCC2)CS1)C1CCCCC1 395138842 GLJXTMLNEQPXKM-BBRMVZONSA-N 294.508 4.597 30 10 CJEE C[C@@H](NC[C@@H](C#N)C1CCCCC1)c1ccc(Cl)cc1 397200315 PODXPKDSCBXILO-CZUORRHYSA-N 290.838 4.711 30 10 CJEE Cc1ccc(SCc2ccc(CC#N)cc2)cc1C 399121168 IBCOOYVMRCHIFB-UHFFFAOYSA-N 267.397 4.662 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)[C@H]1CCNC1 400343489 IFKPEQJEIPKKJG-ZWKOTPCHSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)C[C@H](C)CC 400811371 XOIFRZDUJUJNBR-HZPDHXFCSA-N 269.473 4.850 30 10 CJEE CCCCCCC[C@H](O)C[C@H](C)CC(F)(F)F 402871616 ZJLNSPMHEUGJOU-RYUDHWBXSA-N 254.336 4.686 30 10 CJEE CCCCCCCOC[C@@H]1CCC[C@@H](NCCC)C1 403793118 JAVWHWQADDSXDE-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CCCc1ccccc1NC(=O)c1csc(C)c1C 410345235 ORNOMOLGZSNBGM-UHFFFAOYSA-N 285.412 4.736 30 10 CJEE C=C(C)CCSCc1coc(-c2ccc(OC)cc2)n1 507103532 NUDPYXCTXANJRU-UHFFFAOYSA-N 289.400 4.550 30 10 CJEE C=CCCCN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 524842801 VLKNQUKMZIHVDI-FQEVSTJZSA-N 295.426 4.649 30 10 CJEE C=CC[C@H](C)NC(=O)Nc1cc(Cl)ccc1C(C)(C)C 670055303 TYFOZGQURZIAHI-NSHDSACASA-N 294.826 4.724 30 10 CJEE C#CCCCCCSc1ccc(CNC(C)(C)C)cc1 686690162 PMXRHIHTHCWUCD-UHFFFAOYSA-N 289.488 4.860 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)CCC1CCC1 688632938 GPGONNCGXFSTQK-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1C(=O)O 692216219 XCHXNUMBRONHST-DGCLKSJQSA-N 293.794 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cccc(F)c1Cl 692237882 AHIPYJCOKHHYKF-IUODEOHRSA-N 281.802 4.704 30 10 CJEE N#CC[C@H](NCc1cc2cscc2s1)c1ccccc1 693996251 QAQYCUJJQLFDHM-HNNXBMFYSA-N 298.436 4.707 30 10 CJEE CN(CCCCC(C)(C)C#N)[C@@H]1CCCC[C@H]1C1CC1 695792857 XANLIGOPTMQDEX-DLBZAZTESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CCN[C@H]1C 696885789 IIXZIEAYMOUHJL-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC(=O)c1ccc2cccnc2n1 699251052 JATYHNRJSAPCGN-UHFFFAOYSA-N 270.376 4.563 30 10 CJEE CCCCCCCC[C@@H](N)c1cnc(C2CC2)s1 699761262 QFZLHRXZCQNITM-CYBMUJFWSA-N 266.454 4.771 30 10 CJEE C=C(C)CCc1ccc(Br)cc1Cl 699970515 OWWKCHXQXHDKBF-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE CCCCCCCCC[C@@H](NCCC)[C@H]1CCCN1C 700193217 MOTMXFLIDZRKHD-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)CCc1cccc(C)c1 701871718 MLGPZOKBFZWSSI-INIZCTEOSA-N 259.437 4.508 30 10 CJEE CCCCCCCNc1nc(Cl)nc2ccsc12 703780011 MMCVJDIUXPMBGI-UHFFFAOYSA-N 283.828 4.727 30 10 CJEE N#CC1(Cc2ccc(Cl)cn2)CCCCCCC1 703875806 VCRBQXZUJZJOPW-UHFFFAOYSA-N 262.784 4.532 30 10 CJEE CCCCCCC[C@H](CC1CC(OC)C1)NCCC 704189367 VNCUVXZBTYFWBN-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@]1(N)CC[C@H](C)SC1 704865833 CCALUWPCKYZKAR-GJZGRUSLSA-N 257.487 4.740 30 10 CJEE CCC(=CC(=O)c1c(F)ccc(F)c1Cl)CC 705460392 DWAUFUMMXLCCON-UHFFFAOYSA-N 258.695 4.547 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CCCC(C)(C)O2)C1 714383606 SGFIDSQESNOONA-INMHGKMJSA-N 266.425 4.510 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(C)c1Cl 715704431 JQMLJKPXIXZVRI-DOMZBBRYSA-N 251.801 4.511 30 10 CJEE CC[C@@H](Nc1cc(F)cc(C#N)c1)c1ccc(C)cc1 718563769 GMISDGVPCAXKPH-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE Cc1cc(C#N)cc(N[C@@H]2CCCCCC2(C)C)c1 719226387 NBLPIIYTBHDJJF-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCCCCCC[C@]1(C)[C@H](C)C(=O)NC12CCCCC2 721063972 QVRLEIPHMADBGC-NVXWUHKLSA-N 279.468 4.822 30 10 CJEE CCC1(CC)CS/C(=N/[C@@H](C2CCCCC2)C2CC2)N1 723840450 OOIJHJCRMSPCGU-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1C[C@H](C)O[C@H](C)C1 724258241 JOBZQYZWXPHFIG-YYIAUSFCSA-N 269.473 4.658 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@]2(C)CCCS2)CC1 724546310 YGNSVNBCFWSPEZ-IRXDYDNUSA-N 281.509 4.777 30 10 CJEE C[C@H]1CC[C@H](NCc2cccc(-c3ccc(C#N)s3)c2)C1 742371850 HIBLDCJDICZEGF-BBRMVZONSA-N 296.439 4.565 30 10 CJEE C=CC[C@@H](C(=O)OCc1ccc(F)cc1C)c1ccccc1 1127468089 AIIGXRYTJDQOEK-GOSISDBHSA-N 298.357 4.537 30 10 CJEE C=CCCC[C@@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 1127520931 XJGZZAHXWFKMMM-WBVHZDCISA-N 279.468 4.844 30 10 CJEE C=CCC[C@@H](NCc1cc2cnccc2o1)c1ccccc1 1178249694 RQACEFGWEQEUJP-GOSISDBHSA-N 292.382 4.625 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2cccc(C(C)(F)F)c2)C1 1180936371 VQWQBNJMIJTMCX-DOMZBBRYSA-N 265.347 4.955 30 10 CJEE C=CCCC[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 1194197788 SQAOPPSUBLGLRR-GOSISDBHSA-N 294.398 4.906 30 10 CJEE C=CCCC(C)(C)NC[C@@H](C)c1cccc(Cl)c1 1206771691 SKWQWZOEWZRWSV-CYBMUJFWSA-N 265.828 4.778 30 10 CJEE C=CCCCCCCNC(=O)/C(F)=C\C1CCCCC1 1271935819 SJRWNKIIQIMOSS-JQIJEIRASA-N 281.415 4.673 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 1293703867 RCGQFCZMZXQYNF-SFHVURJKSA-N 285.431 4.651 30 10 CJEE CC(C)[C@H]1CCCCCN1Cc1ccc(Cl)cc1C#N 1307620054 CWTDHAGCMOCGPC-QGZVFWFLSA-N 290.838 4.612 30 10 CJEE C=CCN(CCc1cccc(Cl)c1)Cc1cccs1 1308656742 NTLUCJLEYOBUOL-UHFFFAOYSA-N 291.847 4.632 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1ccc(SC)cc1 1310049604 UXBPXWOSQNDGPP-UHFFFAOYSA-N 292.448 4.522 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCCC[C@@H]1C)c1ccccc1 1349840303 INBZFRYASWGUJI-FUHWJXTLSA-N 285.431 4.528 30 10 CJEE C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 1353148511 QJWZSEQIIDJVLR-ZDUSSCGKSA-N 291.460 4.577 30 10 CJEE C=CCCCN(CCC)Cc1c(F)cccc1Cl 1459377683 JWMPIJWBGRYJMR-UHFFFAOYSA-N 269.791 4.657 30 10 CJEE C#CCCOc1ccc(CNCCCC2CCCCC2)cc1 1461038451 IILVAIHQKKGUBC-UHFFFAOYSA-N 299.458 4.539 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C)cc2SC)C1 1461341027 VRPYLINTMYBEON-GOEBONIOSA-N 275.461 4.551 30 10 CJEE C=CCC[C@H](CC)N[C@@H](c1ccc(OC)cc1)C1CCC1 1474735993 CTRHMNSZLYAXGU-PKOBYXMFSA-N 287.447 4.871 30 10 CJEE C=CCN(C(=O)CC1CCC(C(C)(C)CC)CC1)C1CC1 1520769565 GCHHDDIMNPXGCT-UHFFFAOYSA-N 291.479 4.796 30 10 CJEE C=CCC1(NC(=O)C[C@H](C)c2ccccc2C)CCCCC1 1521567478 RBFYXYVBAPWELK-KRWDZBQOSA-N 299.458 4.884 30 10 CJEE C=CCOc1cccc(NC(=O)C2CCCCCCC2)c1 1526631736 CGDZYABLGIAHNP-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 1528951332 ITEACYHBOFPZIO-GVDBMIGSSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C)c(C)c1Cl 1537466517 MQCMSVGITCPIRT-UHFFFAOYSA-N 293.838 4.679 30 10 CJEE C=C(C)c1cccc(NCc2cnc(Cl)c(F)c2)c1 1560612150 ZPRCCDIUIYPZIO-UHFFFAOYSA-N 276.742 4.519 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)[C@@H]1CCCC[C@H]1C 1560963608 SXPDMYBOQLQGDG-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](CC)c1cccc(Cl)c1 1584226668 HROXWTAGTRARCX-AWEZNQCLSA-N 280.795 4.937 30 10 CJEE C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc(OC(C)C)c1 1585055654 FVWZHAOYPWQPBC-AWEZNQCLSA-N 290.403 4.680 30 10 CJEE Cc1ccccc1C#Cc1ccc(Cl)cc1Cl 1614730966 TYVQIMCSXGDLHD-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)CC1CCCCC1 1617466966 WUDFZNKORYOCJV-NJAFHUGGSA-N 291.479 4.844 30 10 CJEE C=CCC[C@@H](CC)NCCc1ccccc1SCC 1621516670 JNTNLOVCWWVKSY-MRXNPFEDSA-N 277.477 4.676 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc(-c2ccccc2)c1 1623519266 YVZGBFBKPBXSOA-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(-c3ccccc3)c(C)c2)C1 1625651534 TVCQZIRFESNGIY-UHFFFAOYSA-N 291.394 4.957 30 10 CJEE C=CCC1(NC(=O)N[C@H](CCC)C(C)(C)C)CCCCC1 1635384202 DXUSAKKPEFYELG-OAHLLOKOSA-N 294.483 4.779 30 10 CJEE C=CCCCCN1CCC[C@@]2(CCCc3ccccc32)C1 1641956756 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C[C@@H]1CC[C@@](C=O)(Cc2cccc(C(C)(C)C)c2)C1 2274438006 INJAGFIMZPKPGU-KDOFPFPSSA-N 258.405 4.532 30 10 CJEE C=CCCCCCCCC[C@H](CCC)OCC(=O)O 2275248933 MQFANOBIHKJFCD-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C=CCCCC[C@@](CC)(CCC(C)C)OCCCN 2277267255 BYUKWIQQKCQFOM-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@H](CCC=C(C)C)OCCCN 2277310052 CNNNWQDVWQWOSJ-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE Cc1ccc(C(C)C)cc1OCc1ccsc1C#N 2277438983 VJYKILIYBWTQGZ-UHFFFAOYSA-N 271.385 4.631 30 10 CJEE CN(CCCCCCCS)CCC(C)(C)C(F)(F)F 2277499892 GJJWNRBPCNIOIE-UHFFFAOYSA-N 299.446 4.777 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](O)[C@H](C)CC 2278228019 DJLYDQQNDNRKDG-IKGGRYGDSA-N 271.489 4.512 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1c(F)cccc1C#N 2280453398 YFDQSGHVUFNJCM-INWMFGNUSA-N 275.367 4.537 30 10 CJEE Cc1cc(N[C@@H]2CCCC[C@@H]2C2CC2)cc(C)c1C#N 2280570227 JRPNLHOXXQKHJV-SJLPKXTDSA-N 268.404 4.556 30 10 CJEE N#C[C@@]1([C@@H](O)c2csc(C3CC3)c2)CCCC12CCC2 2283063456 RQWORFSLSUXZBL-DOTOQJQBSA-N 287.428 4.523 30 10 CJEE C=C([C@H](NCCC)c1c(F)cc(C)cc1F)C(C)(C)C 2283505374 DYDIGGSNAJYWBP-INIZCTEOSA-N 281.390 4.916 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@](C)(N)CC(C)C 2285448562 MCMWFQQWGIJRNZ-MSOLQXFVSA-N 283.500 4.808 30 10 CJEE CCCCCCCCCCCC[C@]1(N)C[C@H]2CO[C@H]1C2 2286246456 ZDVFTVOFFYVPRT-BZSNNMDCSA-N 281.484 4.804 30 10 CJEE C=C(C)CCCC[C@@](C)(CNC1CC1)c1ccccc1 2287373942 ZXJUILTYYSZAOL-IBGZPJMESA-N 271.448 4.833 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1C[C@@H]1CC(C)C 2289680783 HWFDJINHWUOLLX-GBESFXJTSA-N 275.480 4.621 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CCC[C@H](CC)C1 2289703411 HOYNUYHUOVLZLI-YTQUADARSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)C[C@@]12CCC[C@H]1C2 2289785638 HWWXSDSHMSTELT-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccc(COC)cc1F 2289887706 MIAXYWXFEYBPMT-QGZVFWFLSA-N 282.399 4.540 30 10 CJEE O=C(CC#CC1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2289926002 ZYGJVAMGFLFMAK-RCCFBDPRSA-N 272.432 4.746 30 10 CJEE CCCCCCCC[C@](CC)(OCCC(=O)O)C1CC1 2291631009 UETUBAHPWQGQJN-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@@]1(OCCC(=O)O)CC[C@H]1C 2291819291 RESWVTUXANGBDB-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](CC1CCCC1)OCCC(=O)O 2291874032 HPXJUGUEQQAXGC-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCC2(CC2)C1 2292781942 MCYRQWIHCWPLSB-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@@H]1CC[C@H]2C[C@@H]2C1 2293262801 IJNOARKVMCSCFJ-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@H](OCCN)c1ccc(C(C)(C)C)s1 2293301987 VEEZKRHKZORUAJ-AWEZNQCLSA-N 295.492 4.808 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCN)CC(C)(C)CCC1(C)C 2294214254 QNUNNPVQKKQXLX-YJBOKZPZSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@@H]2CCC[C@@H]21 2294461578 PJXBGCMHKYIHKV-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(CN)Nc1ccccc1 2295521333 AIHBFVHNWSVIHW-SFHVURJKSA-N 276.468 4.957 30 10 CJEE Cc1ccc(OC(C)C)c(C(=O)C=Cc2ccccc2)c1 2295968062 YQUMIIXFOJUOIS-UHFFFAOYSA-N 280.367 4.678 30 10 CJEE C=C[C@@](N)(CC)CCCc1cc(Cl)cc(Cl)c1 2302387470 KZDHRCMIJBVWSD-CQSZACIVSA-N 272.219 4.610 30 10 CJEE C=C(C)C[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2302872453 XVBIXGXSVLJHDJ-NSHDSACASA-N 276.182 4.749 30 10 CJEE CCCCCCCCC[C@@](C)(SCC)C(=O)O 2306927142 QFNOMGCNWBTFEE-CQSZACIVSA-N 260.443 4.724 30 10 CJEE C=CC[C@H](C)[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2307639216 WNOPUPAIAKMBCQ-XPTSAGLGSA-N 272.219 4.688 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc(C(F)F)c1 2316683353 MJNGFDNQMQGYDF-UHFFFAOYSA-N 250.288 4.575 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CCCCC(F)(F)C1 2316692752 FTYXMUXSXJKCSV-ZDUSSCGKSA-N 256.336 4.540 30 10 CJEE C=CCC(CC=C)N(C)[C@@H](C)c1ccccc1Cl 2316716848 BUIOCAOHZKNINU-ZDUSSCGKSA-N 263.812 4.854 30 10 CJEE C=CCC(CC=C)N(C)[C@@H](C)c1cccc(Cl)c1 2316728471 GAXLJFBUQFHTTP-ZDUSSCGKSA-N 263.812 4.854 30 10 CJEE Cc1c(F)ccc(C[C@]2(C#N)CC=CCC2)c1Cl 2317100617 ZALHLBUEUPWCLW-HNNXBMFYSA-N 263.743 4.580 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(F)c(C)c1Cl 2317103834 PRMHTGQTTHRDQU-NSHDSACASA-N 269.791 4.622 30 10 CJEE C=C[C@H](C)C[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2319573349 AZRYIOXORFBUJL-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE C=C[C@H](C)CC(=O)CCCCC(F)(F)C(F)(F)F 2319576602 LMSDBDKXHUMZPE-VIFPVBQESA-N 272.257 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1C(C)(C)C1(C)C 2321099380 RHFSBIAVYOQTIL-PBHICJAKSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1cccc(Cl)c1C(F)(F)F 2321145920 UISCWUYVUVWKKY-QPUJVOFHSA-N 277.717 4.571 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CCc1ccc(Cl)cc1 2321221638 BMCQQHVZFYCQKY-CVEARBPZSA-N 266.812 4.626 30 10 CJEE CC1(C)CCC[C@@]1(C=O)CCC1(C(F)(F)F)CC1 2321659958 RQDVDDWXWBMPTL-ZDUSSCGKSA-N 262.315 4.505 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1OCC1(CS)CC(C)(C)C1 2321710701 OMGOLWAMHWLJFR-HZSPNIEDSA-N 270.482 4.564 30 10 CJEE CCCCCCC[C@@]1(F)C[C@H]2CC[C@H]1C[C@]2(C)N 2327841502 ZWVRQMFRVQIZLI-FXUDXRNXSA-N 255.421 4.593 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1C[C@H](N)CC 2335597071 QVYRKZMMYAUDAE-CHWSQXEVSA-N 297.895 4.985 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(Cl)c(F)c1 2337067277 ITOTWQBJCAYFSF-MQIPJXDCSA-N 281.802 4.875 30 10 CJEE CCCN[C@H](C#Cc1cccs1)C(CCC)CCC 2338244194 PRPKQSVXGTXLSM-QGZVFWFLSA-N 277.477 4.684 30 10 CJEE CC(C)c1cnccc1C(=O)C1=CCCCCCC1 2338567972 IJXJCDBEOVJYIX-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE C=CCC(CC=C)[C@@H](CC12CCC(CC1)C2)NCC 2338730408 QGBHFXWOVAXCOO-IIIMJFFVSA-N 261.453 4.703 30 10 CJEE C#CCCCCCCNc1ccccc1C(F)(F)F 2338860855 MLPKMWAJRQHLBU-UHFFFAOYSA-N 269.310 4.701 30 10 CJEE CC(C)[C@H](C)[C@H](C)[C@@]1(C#N)CCc2ccccc2C1 2340225529 UEMFZJZQCMFTRQ-MPGHIAIKSA-N 255.405 4.613 30 10 CJEE CCC[C@H](OCC1(CS)CC(F)C1)c1ccccc1 2340546893 SQIPTPDKISYDPY-PCKAHOCUSA-N 282.424 4.593 30 10 CJEE C=C(C)C[C@H](NC)[C@H](c1ccccc1)C1CCCC1 2342355113 YXKYTHZIQMUWOH-ZWKOTPCHSA-N 257.421 4.515 30 10 CJEE C=CCCCCCCN(C)CC[C@@H]1CC[C@H]1C1CC1 2342590062 LOKFRWBWFLMGKX-ROUUACIJSA-N 263.469 4.881 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2343356003 QCQKLRBOAYMCJY-IKGGRYGDSA-N 263.469 4.737 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC12CCC(CC1)C2)NCC 2344344286 RTCDZXSHXQGATL-UMQBVGHOSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1=CC[C@@H](C(C)C)CC1 2344369154 MQJYZJGNVJNDRY-LZLYRXPVSA-N 263.469 4.949 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1C[C@H]1C1CCC1)NCC 2344373653 BSYONNBZYCSTGJ-XLAORIBOSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCC(=O)[C@@H](C)C[C@@H]1CCOC1 2353005356 ZXGCSXYYNMMTFD-HOTGVXAUSA-N 268.441 4.759 30 10 CJEE C=C(CC)C[C@@H](NC)C1CCC(CC(F)(F)F)CC1 2353631608 BPXITESINODQRO-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2359766815 BPPOQRMXQYHDQP-GUDVDZBRSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC[C@@](C)(C[C@@H]1C[C@H]1C)OCCN 2360180182 UBWNSHJIPHPHQU-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE Cc1cc2nc(/C=C/c3ccc(C#N)cc3)sc2cc1C 6904039 ZPXGRGYDKZYRGP-BQYQJAHWSA-N 290.391 4.955 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 19997967 AQJRQVAZXXJRBQ-GOBPUOAWSA-N 280.415 4.575 30 10 CJEE CC(C)c1ccc(S[C@H]2CCCC[C@@H]2C#N)cc1 37154721 VZGQZDBBFRZARQ-ZBFHGGJFSA-N 259.418 4.984 30 10 CJEE Cc1ccccc1[C@@H](C#N)Cc1ccc(C(C)C)cc1 41357490 MAQZNUWIHFMBMU-GOSISDBHSA-N 263.384 4.968 30 10 CJEE CCCN[C@@](C)(C#N)CCCCSc1cccc(C)c1 45366540 SVZTZIQFXWHKJX-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCSc2c(F)cccc21 50429953 MLOJWOJDGYRTOT-OAHLLOKOSA-N 298.386 4.655 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1cccc2cccnc12 69502983 BEFNFTRENQBDPH-MRXNPFEDSA-N 293.757 4.565 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCCC[C@@H]2C)C1 70409584 WYRVWCAXRQUAKO-XLAORIBOSA-N 290.495 4.996 30 10 CJEE C=CCC[C@H]1NCCc2cccc(Oc3ccccc3)c21 83706265 GDYKHCCUPFCGCR-QGZVFWFLSA-N 279.383 4.632 30 10 CJEE CCC(CC)(CC)Nc1ccc(C#N)c(Cl)c1 86643785 DBLCIZGQRRCBGL-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CCc1ccc([C@H](O)C2(C#N)CCC(C(C)C)CC2)s1 91883928 JHUKZMNTIXLULV-PWZRNIHTSA-N 291.460 4.700 30 10 CJEE N#Cc1ccc(NCc2cccc(C3CC3)c2)cc1Cl 94518278 DFFRCLHGJPBNDG-UHFFFAOYSA-N 282.774 4.701 30 10 CJEE CC(C)c1cccc(OCC[C@H](C)CCS)c1 94582618 FPFCZFCDDPPDBU-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE CCC(CC)[C@H](C#N)Sc1cccc(Cl)c1 94674692 DUQIAFFGTOTBBD-ZDUSSCGKSA-N 253.798 4.760 30 10 CJEE CC(C)c1ccccc1Oc1ccc(F)cc1C#N 104253382 QQQCXWRPFWORSZ-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE CCCCCCCCNCc1nc2ccccc2n1CC 105839546 QJCASGOKNPZKLP-UHFFFAOYSA-N 287.451 4.506 30 10 CJEE C#CC[C@H](CCC)c1ccc(CC)c(Br)c1 107478233 UIENMHCCLADYBU-CYBMUJFWSA-N 279.221 4.919 30 10 CJEE CC(C)C1CCC(Nc2cc(Cl)ccc2C#N)CC1 109788126 GAHPFAHMXFQGEY-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCCCCCO[C@@H](CC)[C@H](CCC)NCCC 110081300 ARSNYOUBZKATOV-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE N#Cc1oc2ccc(Cc3ccccc3)cc2c1C1CC1 110162455 CNHNVJHAJSQGSG-UHFFFAOYSA-N 273.335 4.773 30 10 CJEE CCCCCCCOCc1cc(CNCC(C)C)oc1C 110170238 JABGAMUWHPDHGB-UHFFFAOYSA-N 295.467 4.821 30 10 CJEE CCCCCCC[C@@H](COc1ccccc1)NCCC 110518447 OMKVZLXOOKOGPY-KRWDZBQOSA-N 277.452 4.794 30 10 CJEE CCCCCCCCCSc1ccc(C(=O)O)o1 111936369 RXFNONSXIWVRIG-UHFFFAOYSA-N 270.394 4.821 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2ccccc2n1 112639844 QGAGVOMYXIWHNJ-QGZVFWFLSA-N 270.420 4.856 30 10 CJEE CCCCCCC[C@H](O)c1ccc(Cl)c(F)c1 114875029 GSTLNFPHUIFJKE-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE CCCCCCCCC[C@@]1(N)CCOc2ccccc21 115851274 SIUOCPLJFYRDFX-GOSISDBHSA-N 275.436 4.764 30 10 CJEE CCCCCCC[C@H](NCCC)C(C)(C)N(CC)CC 118142456 QXSCLYUMVYEKBD-KRWDZBQOSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(C)c(F)cc1F 122245676 PTCNZGVUWJOFQN-QGZVFWFLSA-N 298.421 4.918 30 10 CJEE CCC1CCC(Oc2cc(Cl)ccc2C#N)CC1 129048878 XAOMFITWAUHFDL-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130471043 NNLNVRHEALJBEG-WBVHZDCISA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCNc1cc(OC)ccc1N 133701263 GXSDPOCYQGTKLB-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 134153011 QVVYMISSXBNQSW-OAHLLOKOSA-N 284.230 4.838 30 10 CJEE CCSc1cccc(N(C)CC2CCCCC2)c1C#N 136636864 WSVVIEXAHATXAL-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)COC)NCCC 140351437 UFIHLPNUQRGDGE-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCC[C@H](N)c1cc2c(s1)CCSC2 158107194 WLOCFVAYEPSFGK-ZDUSSCGKSA-N 283.506 4.898 30 10 CJEE CCCCCCC[C@@H](NCC)C1(OCC)CCCC1 159875317 ADTLGEJTTOKYPJ-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccccc1SC 167719278 KSGIBFRQYCPIJI-OAHLLOKOSA-N 263.450 4.806 30 10 CJEE CCc1ccc([C@@H](C)Nc2ccc(C#N)cc2C)cc1 203513156 GFQYYIAJPOPLSI-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CCCCCCC[C@](C)(CN)N1CCCC[C@@H]1CCC 213021115 KXQWSQPRNYAVDG-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C=CCCC[C@H]1C[C@@H](CCC)CC[C@@H]1CNCC 219444195 WHSYNAKILFICQV-YESZJQIVSA-N 251.458 4.785 30 10 CJEE CCCCCCCCC[C@@H](O)c1csc(C)n1 229268507 BPZQQHCVMGQUBU-CQSZACIVSA-N 255.427 4.626 30 10 CJEE CC1CCC(C#N)(C[C@H]2CCC3(CCCCC3)O2)CC1 229465628 UEEOOXFXSNKKHC-AQFXKWCLSA-N 275.436 4.978 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(Br)ccc1C 229754159 BVHXMYQNODEJKM-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE N#C[C@H]1CCCC[C@H]1Nc1cc(Cl)c(F)c(Cl)c1 232034695 XUQVKBVRWAKXRK-PRHODGIISA-N 287.165 4.627 30 10 CJEE Cc1ccc(Cl)c(N[C@@H]2CCCCC[C@H]2C#N)c1 232243883 RYWKUOPHJNQLOJ-GXTWGEPZSA-N 262.784 4.533 30 10 CJEE CC[C@@H](C)c1ccc(OCC#Cc2ccccc2)cc1 232357748 PXZPKPPMLOMAGX-MRXNPFEDSA-N 264.368 4.631 30 10 CJEE C=CCCCCC[C@H](NN)C1CCC(CCC)CC1 232900839 RFYDRHMWIHMVIS-JCYILVPMSA-N 266.473 4.561 30 10 CJEE CCCCCCCCCCNc1cnccc1N(C)C 232926722 HLNBFSVCASAYAZ-UHFFFAOYSA-N 277.456 4.700 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1CCc2ccccc2C1 236407356 CKCVADXJSULINT-SFHVURJKSA-N 268.400 4.641 30 10 CJEE C=CCN(CC(=C)CCCCC)C(=O)OC(C)(C)C 238247024 XYNVMSAACLBXMR-UHFFFAOYSA-N 267.413 4.546 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NC[C@H]1C(C)(C)C 250828021 OVCBPCAOJLFOLS-ROUUACIJSA-N 296.543 4.691 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 252197178 VROAWMIRGBVNBE-JRPNMDOOSA-N 297.229 4.536 30 10 CJEE CC(C)[C@@H](C#N)Cc1ccc(Oc2ccccc2)cc1 259246623 HYMUDNDYZDVLTD-MRXNPFEDSA-N 265.356 4.817 30 10 CJEE C[C@H](C#N)c1cc(F)c(OCc2ccccc2)c(Cl)c1 260815572 WGOZOESTQACLTB-LLVKDONJSA-N 289.737 4.685 30 10 CJEE CC(C)(C)C#CC[C@H](O)c1cc(Cl)sc1Cl 300773149 PZTOIDITOBKCRL-VIFPVBQESA-N 277.216 4.528 30 10 CJEE N#C[C@H](c1ccc(F)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 305955700 DOMYXJJTFIJVBN-TXFQPVFDSA-N 263.743 4.522 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCC(F)(F)C1 310394287 YIZPWSIHUBFHPE-KBPBESRZSA-N 261.400 4.760 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(C(F)(F)F)cc1 311614886 KHVXUIKJJMSFSI-GFCCVEGCSA-N 271.326 4.712 30 10 CJEE Cc1cc([N+](=O)[O-])c(Cl)cc1[C@@]1(C#N)CCC[C@@H](C)C1 312241397 GVDWRCGKRAYONS-BMIGLBTASA-N 292.766 4.528 30 10 CJEE C=CCCCCNCc1ccc(-c2ccc(F)cc2)o1 312465694 LPUAGIQGNZDOFR-UHFFFAOYSA-N 273.351 4.532 30 10 CJEE C=C(CC)CN[C@H](C)c1cc(Cl)sc1Cl 313500237 QAXAERGAQORXHF-MRVPVSSYSA-N 264.221 4.672 30 10 CJEE C[C@H](C[C@]1(C=O)CCCC[C@H]1C)C1CCCCC1 316858015 VDNVLJQAOKZESL-INMHGKMJSA-N 250.426 4.988 30 10 CJEE CCC1CCC(C=O)(C/C=C/c2ccccc2)CC1 317884118 NRHOTEZUZBOROY-RMKNXTFCSA-N 256.389 4.875 30 10 CJEE CCSc1cccc(N[C@@H](C2CC2)C(C)(C)C)c1C#N 323894732 XMVBLRYKHNCTLM-INIZCTEOSA-N 288.460 4.907 30 10 CJEE N#C[C@]1(C[C@@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 380104465 NVXWDIXXUZVOCM-PCODUJHASA-N 265.400 4.827 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccsn1 382532316 ZDMQMFCORTTYNH-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE C=CCS[C@@H]1CCCCCCCCCC[C@H]1N 383170744 NSOQWHBBCGTLTR-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE C=CCCCCN[C@@H](CC)c1cccc(Br)c1 383477226 RDDRGGSAVJDUFN-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCCCCCCCCCCNCc1snnc1C 384227883 GLUPKKROJOBVQN-UHFFFAOYSA-N 297.512 4.857 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)C[C@H]1CSc2ccccc21 384881846 IQAYKNVDOBNIIO-WWGRRREGSA-N 257.402 4.596 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1cc(Cl)sc1Cl 384970927 PFEXNHGQGCGKPL-MRVPVSSYSA-N 278.248 4.918 30 10 CJEE C=CCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1NCCC 388365887 HJINLTJSKRDIJH-OWCLPIDISA-N 283.525 4.879 30 10 CJEE CCCCCCCCCCn1cc(C(C)=O)nc1C 388728955 XJDUHKHIOZWGHU-UHFFFAOYSA-N 264.413 4.535 30 10 CJEE CCCCC1CCC([C@H](O)CC#CC(C)(C)C)CC1 394100069 ZJWICUYIDPCFEQ-OFLPRAFFSA-N 264.453 4.784 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnc(OC)s1 394308277 YGDCBTKKDJSGGS-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE Cc1cc(Cl)cc([C@H](O)C2(C#N)CCC(C)(C)CC2)c1 395087122 PGWXVWVKJWMVCQ-HNNXBMFYSA-N 291.822 4.792 30 10 CJEE C=CCCC[C@H](C)N[C@@H](c1ccccc1)C(F)(F)F 398191762 XMSSBKVRKQTPJU-JSGCOSHPSA-N 271.326 4.624 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCCCc2ccccc21 398194751 SUMGOAWWGCZDHB-YJBOKZPZSA-N 257.421 4.789 30 10 CJEE CCCCCCCCCC[C@@]1(F)CNC[C@@H](C)C1 401707046 BLGHIXLDTNJMGR-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H](CC)CC(F)(F)F 402560636 JTKGXPYDGBIZIB-OLZOCXBDSA-N 265.363 4.547 30 10 CJEE C[C@H](C[C@@](C)(C=O)c1ccccc1)C1CCCCC1 405613878 NLBSYXRTBOMXOH-QAPCUYQASA-N 258.405 4.750 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H](C)c1ccccc1 505016849 MVVDFKIOMJTUAF-OAHLLOKOSA-N 294.398 4.688 30 10 CJEE C=C(C)C[C@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 575245420 FEOLCSOKCNVWIG-INIZCTEOSA-N 289.463 4.953 30 10 CJEE C=C[C@H](C)N[C@@H](C)c1ccc2ccccc2c1OC(F)F 675933543 GJTVFXOFRPEJTH-RYUDHWBXSA-N 291.341 4.666 30 10 CJEE C#CCCCCCNc1ccc(Br)cc1CC 686675371 RKWVWPWJGNGYQI-UHFFFAOYSA-N 294.236 4.617 30 10 CJEE C#CCCCCCC1(C=O)CCC(C(C)(C)C)CC1 686694590 CGNPCUGLTMAMGB-UHFFFAOYSA-N 262.437 4.992 30 10 CJEE CSCCCC1(C=O)CC(C)(C)CC(C)(C)C1 688003671 FOUQFWDLJUAHGL-UHFFFAOYSA-N 256.455 4.551 30 10 CJEE N#Cc1ccc(NCCCC2CCC2)cc1C(F)(F)F 688423055 QJXDXJFDTIAEQG-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CCC[C@H](C)Nc1ccc(F)cc1C(F)(F)F 690204410 KKARJSADEGISRR-VIFPVBQESA-N 261.262 4.611 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@H]2C[C@@H]21 691655359 IPFJNHAFJDHAJX-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](C)[C@H]1CCO 700308069 ZWLYODORYQYMGZ-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1nc2ccccc2s1 701884658 YERCCNJTGBHEBY-GFCCVEGCSA-N 274.433 4.549 30 10 CJEE CCCCCCCCN[C@H](C)c1nc(C)c(C)s1 701956009 KSAMBJRLEGDVBS-CYBMUJFWSA-N 268.470 4.771 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@]1(C)CC1(C)C 705338177 WOCJFGDSVDOUQC-NVXWUHKLSA-N 268.489 4.785 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](N)C(F)(F)F 705635892 DXJUFJMZTSZKBY-UONOGXRCSA-N 297.405 4.548 30 10 CJEE C[C@@H]1C[C@@H](N(C)CC2(CS)CCCC2)CC(C)(C)C1 708583191 FBFHPEJJNUYTJW-HUUCEWRRSA-N 283.525 4.623 30 10 CJEE Cc1cc(N(C)[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1C#N 709180859 AINKPQXFSQHPIY-CXAGYDPISA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C(C1CCC1)C1CCC1 710580558 BVAPNCLMMMHJAP-OAHLLOKOSA-N 269.860 4.714 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC1CC1 710645789 PGYABDJAJLAGEW-RBSFLKMASA-N 283.887 4.960 30 10 CJEE Cc1ccc(SCCCCCCCCCS)nn1 712458572 DTTNGBJLYLCIIQ-UHFFFAOYSA-N 284.494 4.538 30 10 CJEE CC(CCc1ccc(OCC(C)(C)C(C)C)cc1)=NO 713302080 FJUPEXRDBQOSDT-UHFFFAOYSA-N 277.408 4.530 30 10 CJEE C=CC[C@H](C)n1ccc2cccc(CNCC(C)C)c21 715797907 IVLOPHGNTSQSNV-HNNXBMFYSA-N 270.420 4.524 30 10 CJEE CCCCCCCC[C@H](NC)C1C[C@@H]2CC[C@H](C1)S2 716047331 ADHSTYQTPWXWBU-HMQMGEFJSA-N 283.525 4.999 30 10 CJEE C=C(C)C[C@H](NCCC)c1cscc1C(F)(F)F 717201371 WPNHUWYKQKMSCP-LBPRGKRZSA-N 277.355 4.774 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)[C@@H]1C[C@@H](C)C[C@@H](C)C1 719378818 XWDOOAVQUIKDFT-XUWVNRHRSA-N 251.458 4.639 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Cl)ccc2C)CC1 724551432 DAUHEZAMHVRYJK-MRXNPFEDSA-N 264.796 4.818 30 10 CJEE C=C1CCC(CNCC2(CC(C)C)CCCC2)CC1 724552907 FEYUYESTWIDJFT-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE CCN(CC)c1ccc(C=Nc2ccc(C)cc2C)cc1 1084576681 RPVJEPRLYDSXJJ-UHFFFAOYSA-N 280.415 4.900 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 1183255834 FXIHAAFTFMSOGK-CVEARBPZSA-N 289.463 4.769 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1CCc2c(F)cccc21 1183863669 GDGMPIIVYPJUCF-GUYCJALGSA-N 261.384 4.538 30 10 CJEE C#CCCCCCCN[C@@H]1CCCC[C@H]1Cc1ccccc1 1193649914 ZJPMQWJXHZEZCT-LEWJYISDSA-N 297.486 4.961 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCOc2ccc(C(C)C)cc2)C1 1199571040 GDSUUJMHVODBEY-AEFFLSMTSA-N 287.447 4.523 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1C 1202797030 AOFAXVWWECCWTF-SFHVURJKSA-N 299.845 4.925 30 10 CJEE C#C[C@H](NC1CCCCCCC1)c1ccc(Cl)cc1F 1205756550 XDGFZLFPGXGCCV-KRWDZBQOSA-N 293.813 4.856 30 10 CJEE C=CCCCCCCCNC(=O)N(C)CC1CCCCC1 1251702303 BAUCGYDTKLHNRM-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=C1CCC(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)CC1 1265097317 FZNLNUNEGLREOH-GOSISDBHSA-N 285.431 4.589 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H](C)c1cc2ccccc2s1 1269306823 BVWNXUYAGGTWJK-GFCCVEGCSA-N 287.428 4.681 30 10 CJEE C=CC[C@@H]1CCN1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1311226663 FQCWOPUBGCWAAR-UONOGXRCSA-N 298.430 4.654 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)c1ccccc1 1437619184 HWFJZRDPTICVQJ-AEFFLSMTSA-N 299.458 4.605 30 10 CJEE C=CC[C@@H]1N(C(=O)CCCc2ccccc2)CCCC1(C)C 1459684001 VCUSOCVLAGCGFF-SFHVURJKSA-N 299.458 4.603 30 10 CJEE C=CCC[C@H](C(=O)NC[C@H]1CCC[C@H]1CC)c1ccccc1 1460249978 PMZVATUMIPLUES-QRQLOZEOSA-N 299.458 4.679 30 10 CJEE C=C[C@H](OC(=O)[C@@H](CC)c1ccc(F)cc1)c1ccccc1 1461545496 AEGYZVZLBYQTDI-ROUUACIJSA-N 298.357 4.790 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1cccc2c1CCC2 1462192952 RZHBFXTWQXKTJY-UHFFFAOYSA-N 291.438 4.754 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 1467476428 ZQOUTNQZMYHYFK-CQSZACIVSA-N 280.371 4.602 30 10 CJEE C#Cc1cccc(CN[C@H](C)CCC2CCCCC2)c1 1474579490 GOMDSIWAOIHTOI-MRXNPFEDSA-N 269.432 4.507 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1 1474729447 FGYJKCLVXHBUIL-RISCZKNCSA-N 251.320 4.781 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](c1ccc(F)c(F)c1)C(C)C 1535874029 GMBRTOYAIZDDLC-PXAZEXFGSA-N 296.357 4.807 30 10 CJEE C=C[C@@H](CC(=O)O[C@@H](C)c1ccc(C)cc1)c1ccccc1 1544199567 GDZBDOHWPLFKFO-IRXDYDNUSA-N 294.394 4.959 30 10 CJEE C=CCCCNCc1ccc(N(C)c2ccccc2)cc1 1560462052 YQUJSAQVJUPCOA-UHFFFAOYSA-N 280.415 4.510 30 10 CJEE C#C[C@H]1CC[C@H](NCc2cccc(C3CCCC3)c2)CC1 1560577927 UBZOEDVMPLQJHQ-UKIBZPOASA-N 281.443 4.626 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCC(CC)CC1)c1ccccc1 1586122234 MZBHUIXJXVSXME-LJQANCHMSA-N 299.458 4.775 30 10 CJEE C=CCCC(C)(C)CNC(=O)C1(CC=C)CCCCC1 1596319639 NQXNIPILYBCOMN-UHFFFAOYSA-N 277.452 4.622 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCCSc2ccc(F)cc2)C1 1620705641 REBHRLDHTSFRSR-ZBFHGGJFSA-N 293.451 4.642 30 10 CJEE C=C(CC)CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 1621392626 ZOOLXDVQIKIJRZ-CYBMUJFWSA-N 285.353 4.582 30 10 CJEE C=C1CCC(CN[C@H](CCc2ccccc2)C(F)F)CC1 1621517568 HZYHCIWSSGTZAM-QGZVFWFLSA-N 293.401 4.589 30 10 CJEE C=C(CC(C)C)C(=O)Nc1ccc(-c2ccccc2)cc1 1624098612 CGSZOVZCQWQPQF-UHFFFAOYSA-N 279.383 4.894 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CCCC(C)(C)[C@H]1CC=C 1633586127 YXCFOOPNPGFVNK-JKSUJKDBSA-N 292.467 4.508 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1CC(C)C 1643915760 MGSSWPSAOATEBO-KDURUIRLSA-N 269.432 4.568 30 10 CJEE C=CCC[C@@H](C)Nc1cc(CC)ccc1Br 1653069856 VCBUWSHHMWUXJP-LLVKDONJSA-N 282.225 4.778 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccc(F)c(Cl)c1 1656401441 CBEHLBSCXVVQNT-LBPRGKRZSA-N 269.791 4.828 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1CCCCC1(F)F 1657138441 WQGAXYNJJOWBBQ-KRWDZBQOSA-N 293.401 4.543 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CCc1ccccc1)C(F)F 1660285916 ORTKTIPRXWHUEL-HOTGVXAUSA-N 281.390 4.587 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)OC1CCCCC1 1661793281 AXMBEMIZLNERPU-UHFFFAOYSA-N 287.403 4.534 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)[C@H]2CC3CCC2CC3)c1 1662774927 AIWKKKATIDSRMV-XXCQWMQFSA-N 299.458 4.556 30 10 CJEE N#Cc1ncc(Cl)cc1-c1ccc(Cl)cc1Cl 1848377572 WLIHZFXMXSRUST-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE Cc1cc(C)c(Nc2nccc(C(C)C)c2C#N)c(C)c1 1859839149 SKPXHXHBSYZCLJ-UHFFFAOYSA-N 279.387 4.746 30 10 CJEE N#Cc1ccc(CN[C@H]2CCCCC23CCCCC3)s1 1875419425 MPUBRLCRPOGHCJ-INIZCTEOSA-N 288.460 4.602 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)C2=CCC(F)(F)CC2)CC1 1878044354 JQIXSTMVJZYMBZ-JOCQHMNTSA-N 270.363 4.908 30 10 CJEE C=C1CCC(CN(C)C2C[C@H]3CCCC[C@@H]3C2)CC1 1884408075 UGRCUQBXZYMRKC-IAGOWNOFSA-N 261.453 4.633 30 10 CJEE CC#CCCCC[C@H](N)C1CCC(CCCC)CC1 1885264061 GMPAVXOWDIKYGJ-ABHNRTSZSA-N 263.469 4.894 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 1886358142 FZBMHDFLUYJAFJ-YUELXQCFSA-N 260.377 4.573 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)c1ccc(C(C)C)cc1 1887440438 HPSFXCDAUOEVMM-MAUKXSAKSA-N 257.421 4.510 30 10 CJEE 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2178392148 GGYZVVXCTOCJFD-LJQANCHMSA-N 273.464 4.869 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C)nc2ccccc12 2179680943 LCYAENZCVUNVAM-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCCCCC[C@@H](CC1C[C@@H]2CC[C@H](C1)O2)NCC 2181427068 AVEVCBORYPPFFE-XFYFCPPXSA-N 281.484 4.673 30 10 CJEE C=C1CC(C[C@@H](NC)C(CC)(CC)c2ccccc2)C1 2182158401 RIKYVUWJWHAUAS-GOSISDBHSA-N 271.448 4.689 30 10 CJEE C#CC1(CN[C@H]2CCCC[C@H]2C2CCCCC2)CCC1 2182313448 UGWIVYZRGYBOPW-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCCS[C@@H]1CC(C)(C)C[C@](C#N)(NCCC)C1 2183511938 CYMTWRXIQOUKQN-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@H]1C[C@@H]2CCCC[C@@H]2C1 2184455067 ZNFHMMMDIXIQKF-PTEHBNRSSA-N 292.785 4.731 30 10 CJEE N#Cc1cc(Cl)ccc1NCC(F)(F)C1CCCCC1 2185384694 MISZCVCBIKNRJB-UHFFFAOYSA-N 298.764 4.839 30 10 CJEE N#CC(C1CCCC1)(C1CCCC1)N1CCCCCC1 2185823294 SWDUGVWQVOZQCU-UHFFFAOYSA-N 274.452 4.505 30 10 CJEE CC(C)(C)[C@H](C#N)CNC(C1CCCC1)C1CCCC1 2185830134 JJSZUXPAUHTGFK-MRXNPFEDSA-N 276.468 4.511 30 10 CJEE C[C@H]([C@@H]1CCC1(C)C)n1c(=S)[nH]c2c(C#N)cccc21 2188606897 YPFFOXBMUNRYQJ-PWSUYJOCSA-N 285.416 4.568 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@@H]3CC[C@@H]3C2)CCc2ccccc2C1 2188990409 GGZRVSLJZQGPSU-NOCIGQNYSA-N 265.400 4.512 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC)Cc2ccsc2)C1 2189877942 GPLSPFOTGHDTHS-DJIMGWMZSA-N 290.476 4.679 30 10 CJEE CCC[C@@](O)(C(F)F)C1(C#N)CCC(C(C)(C)C)CC1 2190007691 IQZUNQFWGGKBLH-VDSRIPIWSA-N 287.394 4.529 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1CCOC12CCCC2 2190290357 OMYQRZNKZMIBBV-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCOC12CCCC2 2190297548 WRLLGOAIFJKBCC-KRWDZBQOSA-N 281.484 4.805 30 10 CJEE CCCCCCCCCCN(CCOC)[C@@H](C)C1CC1 2195687636 ZZBRSWUNQOUQQH-KRWDZBQOSA-N 283.500 4.874 30 10 CJEE CC#CCCCC[C@]1(CNC(C)(C)C)CCS[C@@H](C)C1 2196170570 AXVOBETYBKXSFQ-WMZOPIPTSA-N 295.536 4.860 30 10 CJEE CCCCCCCCN(C)c1cc(CC)ccc1C#N 2196714253 GYTNGBRUAXYVMA-UHFFFAOYSA-N 272.436 4.917 30 10 CJEE C=C(c1ccccc1)[C@@H](CC12CCC(CC1)C2)NCC 2197139118 FDNKUURKUURYNB-CUYAVPTFSA-N 269.432 4.648 30 10 CJEE C=C(C)CC[C@H](C)Nc1ncccc1[C@H](F)C(F)(F)F 2199312165 CTDWMDXQBOMQAM-JQWIXIFHSA-N 290.304 4.811 30 10 CJEE Cc1ccc(N[C@H]2CCC[C@@H](CC(C)C)C2)cc1C#N 2199336674 LXDJJWKBNDEOEE-RDJZCZTQSA-N 270.420 4.884 30 10 CJEE C=C1C[C@H]2CC(NC[C@@H]3C[C@@H]3C3CCCC3)C[C@@H](C1)C2 2200060100 MQCRPNGANHKUNK-HWTVXGGTSA-N 273.464 4.537 30 10 CJEE CCCCCCCCC(=O)C[C@@H]1C[C@H]1C1CCOCC1 2200453274 CGNRRWUXSFDGOX-AEFFLSMTSA-N 280.452 4.759 30 10 CJEE C[C@@H]1CC(C#N)(C[C@@H]2C[C@@H]2C2CCCCC2)C[C@@H](C)O1 2200501104 GYYXKTQUQSGCLQ-TXCZRRACSA-N 275.436 4.690 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(C)cc(C)c1C 2203079554 ARKTYISFCYESOT-KUHUBIRLSA-N 271.448 4.702 30 10 CJEE CCCCC#CC[C@@H](NCC)c1c(F)ccc(Cl)c1F 2203806687 GCHNFYMFOSBWJE-CQSZACIVSA-N 299.792 4.853 30 10 CJEE CCCC#CCC1(CNC2CC2)CCC(CCC)CC1 2203807448 NDSFGEHOWIQFGC-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccccc1OCC=C 2206883839 DERYLCYDKKIGHG-QGZVFWFLSA-N 273.420 4.778 30 10 CJEE C=CCCCCCCn1ccc(CNC(C)(C)C)c1C 2206893039 WQRLQEPJXXSPNW-UHFFFAOYSA-N 276.468 4.821 30 10 CJEE C=CCCCCCC[C@H](COc1ccccc1Cl)NC 2206899286 KXMHJJQENXBCRK-OAHLLOKOSA-N 295.854 4.833 30 10 CJEE C=CCCCCCCCCCNCCc1cccnc1 2207389248 CNIDKIYZTRUIMX-UHFFFAOYSA-N 274.452 4.521 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@H]1[C@H]2CCOC[C@H]21 2207403290 HNTUIVPDFPBXQQ-LZLYRXPVSA-N 278.436 4.535 30 10 CJEE C=CCCCCCCCCCOCC[C@H](NC)C(F)F 2207404869 PZEQJRAEUTULEK-HNNXBMFYSA-N 291.426 4.553 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@](C)(O)C(C)(C)C 2207405004 WCUPXSJTRSXWBJ-FUHWJXTLSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ncccc1CC 2207406092 ZYHDWSOTBYADPN-KRWDZBQOSA-N 275.436 4.984 30 10 CJEE C=CCCCCCCCCCO[C@@H]1CCCC[C@@H]1CN 2207410118 PJFZLCTZWMJWBK-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)c1ccccc1 2207411833 DUSXINJPSOBTCP-SFHVURJKSA-N 274.404 4.596 30 10 CJEE C=CCCCCCCCCCN[C@]1(CCC)CCOC1 2207424747 IKLZKFJOSRXRCB-GOSISDBHSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCCCOCCC1(N)CCCCC1 2207432336 OBEHNXVWRIWPDP-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCCCCCC[C@@]1(N)CCOCC[C@H]1C 2207438840 SSIOVJMTCSVDGW-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCCCNc1ccc([N+](=O)[O-])cc1F 2207443830 DOFKUXNSSIGEET-UHFFFAOYSA-N 282.359 4.896 30 10 CJEE CCCCCCCN(C)c1nc(C2CCC2)c(C=O)s1 2207823165 ZPMZDASWZJOENQ-UHFFFAOYSA-N 294.464 4.630 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cscc1F 2214621674 GRIOJGRRKNASHT-CQSZACIVSA-N 256.386 4.837 30 10 CJEE CCc1cc(Br)ccc1C1=CC(=O)CCCC1 2215880295 YMJOYIDBIRTOBX-UHFFFAOYSA-N 293.204 4.538 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CC[C@H]1C(F)(F)F 2217676536 RNZLRGZHGFARDX-VXGBXAGGSA-N 264.331 4.895 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(F)c(C)c1Cl 2220116497 NCTQXRSDENKJKR-HZMBPMFUSA-N 269.791 4.650 30 10 CJEE CCCCCCCC[C@H](C)NCC1CCSCC1 2223848523 PNSIKSJBUQDKPN-HNNXBMFYSA-N 271.514 4.858 30 10 CJEE C=CCCCCCCCCOCCCCNC(C)C 2225684548 MLPYWPJTAGDGJZ-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@H](NN)C(C(C)C)C(C)C 2227283023 DCTCFJRTWWEEEO-INIZCTEOSA-N 268.489 4.663 30 10 CJEE CCCCCC#CC[C@@](C)(O)c1cc(F)cc(Cl)c1 2229479182 VDDWDWOKHLUZEG-MRXNPFEDSA-N 282.786 4.660 30 10 CJEE C=C[C@H](CCCCC)O[C@H]1CCCCCCC[C@H]1O 2231089272 SMXOAZNSDSCFFJ-ZACQAIPSSA-N 268.441 4.612 30 10 CJEE C=C1CCC(CC(=O)c2ccc(C)c(F)c2F)CC1 2231340449 NLVQYQKNXRVQSW-UHFFFAOYSA-N 264.315 4.592 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1csc(C)c1 2231926806 ZAUKOCULBUKXHU-CVEARBPZSA-N 283.481 4.558 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CCCC(C)C 2231935045 OBCIOJRKXWKPFO-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE C=CCCCCCC[C@@H](N)CC1CC(OC(C)(C)C)C1 2232964395 MZCTVNJPTDWADY-AQFXKWCLSA-N 281.484 4.824 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1OC[C@@H]2CCC[C@H]21 2233197416 ZQMKRLRSQMXZCN-XWTMOSNGSA-N 281.484 4.530 30 10 CJEE CCN[C@H](C#CC(C)(C)C)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2233793414 XYHQSEGQFPJOLU-XMTFNYHQSA-N 275.480 4.621 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H](O)c1scc(C)c1C 2234230136 MPUVMYMYKFCBCZ-JKSUJKDBSA-N 295.492 4.513 30 10 CJEE C=CCCCCCCC[C@H](N)c1cnn(C(C)(C)C)c1 2235514869 YUBGYMMRPBJZOC-INIZCTEOSA-N 277.456 4.555 30 10 CJEE C=CCCCCCCCN(C)[C@@H](C)c1ccc(O)cc1 2235526882 PFQTWIKXMWFFSF-INIZCTEOSA-N 275.436 4.912 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](O)C(C)(C)CC 2235527088 RMNAFFOIHGMDTI-IAGOWNOFSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@H](NCCC)c1snnc1C 2235527441 VNMBGUPBBBVACW-HNNXBMFYSA-N 295.496 4.804 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(NC2CCCCCC2)C1 2238173019 FGCOZXMWDWEWSV-MAUKXSAKSA-N 276.468 4.797 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ncccc2C(C)C)C1 2239321305 SGGYDYRUTOHRBX-MAUKXSAKSA-N 270.420 4.858 30 10 CJEE CCCCCCCCCCOC[C@@H]1CCC[C@@H](NC)C1 2239492085 HHQKCIPHBAKJAG-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCO[C@@H]1CC[C@@H](NC)[C@H]1C 2239553497 AELYNCYMGXLOOA-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CC(C)c1ccc([C@H](O)C#Cc2ccc(Cl)cc2)cc1 2239565587 CSRXIPWDRZHYLS-GOSISDBHSA-N 284.786 4.549 30 10 CJEE CCC1(CC)CCC(N)(C#Cc2ccc(Cl)cc2)CC1 2239579859 WNZZGOFIPHSMRW-UHFFFAOYSA-N 289.850 4.769 30 10 CJEE C=CCCCCCCOc1cc(Cl)ccc1C(=O)OC 2239598618 AVCFSSCWTWJRLZ-UHFFFAOYSA-N 296.794 4.642 30 10 CJEE CC(C)(C)c1ccc([C@@H](C#N)C(=O)c2cccs2)cc1 2240172827 LMCWKZNCLLBVBM-CQSZACIVSA-N 283.396 4.536 30 10 CJEE C=CCCCCOc1c(Cl)cccc1CN[C@H](C)CC 2240203837 QZAXEQLUJHDKHL-CQSZACIVSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@H](C)NCCCc1ccccn1 2240640664 SGAZNSUSKKDMIM-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)CCCC1CCC1 2240653008 BEHVXVSJVZACKT-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@]1(C)[C@@H](NCC)CCN1C(C)C 2240667017 RWDPDVPKBDOSRP-ZWKOTPCHSA-N 282.516 4.588 30 10 CJEE CC1CC2(C1)CC(SCC[C@H](C)CCS)C2 2245180743 LFOPZQOXYWHUKK-NTXGFPLRSA-N 258.496 4.644 30 10 CJEE C=CCCSc1cc(Cl)ccc1[C@H](C)NCC 2250015687 HSJHNWVYZTZJEQ-NSHDSACASA-N 269.841 4.679 30 10 CJEE C=CCCCCCCCSCCC(C)(C)CN 2250017436 XSXBBFMEWAHOMZ-UHFFFAOYSA-N 257.487 4.621 30 10 CJEE CO[C@@H](CSCC[C@@H](C)CCS)CC(C)(C)C 2250057315 HULRKLYPTZGLHH-QWHCGFSZSA-N 278.527 4.517 30 10 CJEE C=CCCCSc1cc(CNC(C)C)sc1C 2250064978 IMXVEEDGDGHEHR-UHFFFAOYSA-N 269.479 4.613 30 10 CJEE N#CC[C@@H](SC[C@H]1CC12CCC2)c1ccccc1 2254042326 NORNGSVDEIIQRV-HUUCEWRRSA-N 257.402 4.565 30 10 CJEE CC#CCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2258557475 HCNAHXHLGSYUEO-OAHLLOKOSA-N 285.214 4.919 30 10 CJEE C=CCCCCCCCSc1nc(F)ncc1C 2258980220 CEBONVNPMPLCNS-UHFFFAOYSA-N 268.401 4.543 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(F)(F)C(C)C 2259231830 QNNZJWFTVRIBAC-AWEZNQCLSA-N 261.400 4.782 30 10 CJEE CCCCCCCC[C@H](O)C1CC2(CC(F)C2)C1 2259482332 DCTAQMRSVUJMEE-UFFJXHMVSA-N 256.405 4.626 30 10 CJEE CCCCCCCCC[C@](C)(O)CC[C@@H](C)OC 2263671893 RZDABOGLAFVTAQ-CVEARBPZSA-N 258.446 4.693 30 10 CJEE CCCCCC#CC[C@H](O)C[C@@H]1CCCCC12CC2 2264880303 AQFUXGSXSNSBDB-IRXDYDNUSA-N 262.437 4.682 30 10 CJEE C=C([C@H](NCC)[C@@H]1CC[C@H](C(F)(F)F)C1)C(C)(C)C 2264937108 AAHFFCLQCTWSSY-AGIUHOORSA-N 277.374 4.545 30 10 CJEE C(C[C@@H]1CC[C@@H]2O[C@H]21)CC12CC3CC(CC(C3)C1)C2 2265016899 NIMHBTYORLPUNU-SVMAFJARSA-N 260.421 4.551 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1csc(C2CC2)c1 2267882546 UWPHWQYETWGNCK-CQSZACIVSA-N 288.803 4.956 30 10 CJEE CCC[C@@H]1CC[C@H](O)[C@H](CC=CC#CC(C)(C)C)C1 2268741303 GLXLHHDDWARSCT-ZACQAIPSSA-N 262.437 4.560 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2nc(C)cc3sccc23)C1 2270606325 AIOGUPSQFDDRRA-WBMJQRKESA-N 270.401 4.576 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@@H]1CCC[C@@H](CC)CC1 2271776073 GEDPRFRFWUFPHG-ZACQAIPSSA-N 266.473 4.561 30 10 CJEE CCC1CCC([C@@](C)(N)CC#CC2CCCC2)CC1 2274180072 GJYBUGQTIFGCRY-VJFUWPCTSA-N 261.453 4.504 30 10 CJEE CCCCCCCC[C@@](C)(CSC(C)C)OCCN 2276591276 DAFNWRAZSCUSGL-INIZCTEOSA-N 289.529 4.613 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1sccc1C 2276927191 QVLNTHBBGFVKAK-INIZCTEOSA-N 283.481 4.608 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](O)C#Cc1ccccc1Cl 2277844079 DGOGKWMUVBWOQZ-DOTOQJQBSA-N 278.823 4.515 30 10 CJEE Cc1cc(C(F)(F)F)sc1[C@H](N)CC#CC(C)(C)C 2277878458 IHJLRKNGAMKZPK-SNVBAGLBSA-N 289.366 4.515 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H](C)CCC 2278241990 HCSAYEMOBUHEJE-BBWFWOEESA-N 271.489 4.642 30 10 CJEE C=CCCSCCCCCCCCCCC(=O)OC 2278798485 GLGHYSRNJZFVOV-UHFFFAOYSA-N 286.481 4.980 30 10 CJEE CC(C)=CCC[C@H](C)CCOc1c(F)cccc1C#N 2284875101 OBGSSLWUNMWJRR-AWEZNQCLSA-N 275.367 4.849 30 10 CJEE CCCC[C@H](CC)Oc1nc(C(C)(C)C)ccc1C#N 2286891123 FCOPEJSACUXITH-AWEZNQCLSA-N 274.408 4.598 30 10 CJEE CCCCCCCCc1noc(N)c1-c1csnc1C 2286960730 JGIFWJMKBIKQNC-UHFFFAOYSA-N 293.436 4.592 30 10 CJEE C=CCCCCCCCSCCCC[C@@](C)(C#N)NC 2287097801 ZRQGOIYDPCVLFL-KRWDZBQOSA-N 296.524 4.918 30 10 CJEE C=C(C)CCCCO[C@H]1CC(C)(C)CC[C@@H]1NCCC 2287413649 KQJPBGWCBHOSOX-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCCN(C)[C@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 2287466670 IDMVURXUWCLMKI-CWBGTKBPSA-N 275.480 4.879 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](OC)C1CCCC1 2287467017 SZZKRGHRQJQZQS-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE CC[C@H](C)[C@H]1CNC(=NCC[C@H](C)CCCC(C)C)S1 2287981379 GROBOEXZRHHMAF-OWCLPIDISA-N 298.540 4.946 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Cl)cc1F 2289698082 ONZFJJJIBUQUAY-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE O=C(C#CC1CCCCC1)[C@H]1C[C@H]1C1CCCCCC1 2289755556 HTSPPULVZQNOIL-ROUUACIJSA-N 272.432 4.746 30 10 CJEE CCNCC1(CC#CC2CCCC2)CCC(C)(C)CC1 2289899799 VAMFQTXAFXVNCA-UHFFFAOYSA-N 275.480 4.766 30 10 CJEE C=C(C)CCCC[C@](C)(OCCC(=O)O)C(C)(C)CC 2291729480 GOZVFDHOWKCCSE-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@H](OCCCN)[C@@H](C)C(C)C 2292650503 RUXSOONDHGJUSG-ROUUACIJSA-N 283.500 4.929 30 10 CJEE C=CCCCCCCC[C@](C)(OCCCN)C1(C)CC1 2292650816 VCIHNUQYZGSBAC-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CCC=C1CC 2292653936 XONJZDWULRZOPK-SFHVURJKSA-N 279.468 4.747 30 10 CJEE C=CCCCCC[C@](CCC)(OCC(=O)O)C1CCC1 2292713768 WSXPWSLRFMQSOB-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CC1(CC2(OCCCN)CCCCCCC2)CCC1 2293528614 UWHRTFBCBVJSDH-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCC[C@]1(OCCCN)CCC[C@@H](C(C)(C)C)CC1 2293722652 UKXFSFSBSLKICP-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCCC(C)(C)CC1 2293881863 NEYPJEQJAPUVNQ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE 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4.655 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 767244611 AFGWIBKPODFEMT-OAHLLOKOSA-N 294.398 4.971 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCCCC(C)C 821996731 LIVDLGTUUTYGLL-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE COc1ccc(C=Nc2cc(C)ccc2O)c2ccccc12 1084182367 UXTZIEHKZLWLLX-UHFFFAOYSA-N 291.350 4.613 30 10 CJEE C=C1CCC(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)CC1 1126374665 CLYVNIIOAYWRJD-UHFFFAOYSA-N 297.442 4.541 30 10 CJEE C=C(C)C(C)(C)C(=O)N(C)c1ccc(CCCC)cc1 1126909659 CSIJNYXFZIURAZ-UHFFFAOYSA-N 273.420 4.594 30 10 CJEE C=C(C)[C@H](NC(=O)CC[C@@H](C)CC)c1ccc(F)c(F)c1 1128249377 RKEQKICRKBNWHM-SJCJKPOMSA-N 295.373 4.525 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](CC)c1ccccc1 1131106837 YOTPFVLSORHNNR-UHOSZYNNSA-N 299.458 4.821 30 10 CJEE C=C(CC(C)C)C(=O)NCc1ccc(C2CCCCC2)cc1 1141352630 YIAALFYDECSVSP-UHFFFAOYSA-N 299.458 4.953 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C2CCC(CCCC)CC2)C1 1146475511 PFKPCWIVCRYABG-ADKAHSJRSA-N 291.479 4.798 30 10 CJEE CCCCCCCCCN1CCSC(C)(C)CC1 1169872374 KPPRXWZCXVETOA-UHFFFAOYSA-N 271.514 4.955 30 10 CJEE C#C[C@H](N[C@@H](CC)C[C@@H](C)CC)c1ccc(Cl)cc1 1182152450 NNTCYGBYNIAWRA-JQFCIGGWSA-N 277.839 4.819 30 10 CJEE C=CCN(C(=O)Nc1ccc(C(C)(C)CC)cc1)C1CC1 1204678433 KYLSAVONWXCYPU-UHFFFAOYSA-N 286.419 4.557 30 10 CJEE C=CCCCN[C@H]1CCCC[C@@H]1c1ccccc1Cl 1205639906 PDOWHPSCBSANIT-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C=CCC[C@H](C)N(C)[C@@H](C)c1ccc(Cl)cc1 1258732890 RUGKPKWXOIKESK-STQMWFEESA-N 251.801 4.688 30 10 CJEE Cc1cccc([C@H](C)Nc2nc(C(C)(C)C)ccc2C#N)c1 1307076544 DILQFLALGSNAOD-AWEZNQCLSA-N 293.414 4.732 30 10 CJEE C#CCCCCCCOc1cc(Cl)cc(Cl)c1 1307247774 RPCRDUXCQNNTFJ-UHFFFAOYSA-N 271.187 4.956 30 10 CJEE C=CC[C@@H](C)N1CCC(F)(c2ccc(Cl)cc2)CC1 1307723897 CRYFFXGYXXDKHV-CYBMUJFWSA-N 281.802 4.565 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(OCCC)cc1C 1308510633 YLNLEQWCHKWUHE-UHFFFAOYSA-N 289.463 4.866 30 10 CJEE C=CCC[C@H](C(=O)NC1CCC(C)(C)CC1)c1ccccc1 1354287972 LOBRRDGLSUGSTL-SFHVURJKSA-N 299.458 4.821 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)CCCCC1 1436680481 MYRDIWZIYYKXJI-JKSUJKDBSA-N 291.479 4.844 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCCC[C@@H]1C 1459492296 VMUXFLZBVQLAJQ-WMZOPIPTSA-N 263.469 4.881 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 1459859239 GQTHRISNZJZVCJ-IAOVAPTHSA-N 277.839 4.983 30 10 CJEE Cc1cc2cc(CNc3cccc(CC#N)c3)oc2cc1C 1461512335 DZPVQAWTUGROCH-UHFFFAOYSA-N 290.366 4.728 30 10 CJEE C=CCCCCC[C@@H](C)NCC1(OC)CCC(C)CC1 1462194843 YZNKPINPEYZZQC-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE C#C[C@@H](NC1CCC2(CCCC2)CC1)c1ccc(F)cc1 1462283052 ZNHFXXJTRIONAZ-GOSISDBHSA-N 285.406 4.593 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1 1519989879 SETNPOLRJBOFAZ-INIZCTEOSA-N 293.410 4.828 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)c1csc(C)c1C 1525312676 TZLJULNUASFWKC-UHFFFAOYSA-N 299.439 4.583 30 10 CJEE C=CCCCCCCNC(=O)C[C@H](CC)C(C)(C)C 1525671638 NDUNJSOSZHBCNL-HNNXBMFYSA-N 267.457 4.702 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCC[C@@H]1CC 1531086084 WOHKOZGEMCAWGR-ZWKOTPCHSA-N 291.479 4.798 30 10 CJEE C=CCC1(C(=O)N2CC[C@@H](C3CCCCC3)C2)CCCC1 1531215844 PQNYQUWSAAZWMV-QGZVFWFLSA-N 289.463 4.552 30 10 CJEE CC#CCCSc1ccc(-c2ccccc2)cc1 1559362182 WADQNWYQABFMEB-UHFFFAOYSA-N 252.382 4.859 30 10 CJEE Cc1ccc(C#Cc2ccccc2C(F)(F)F)c(F)c1 1614826677 KJCBQNCJAFLAMD-UHFFFAOYSA-N 278.248 4.553 30 10 CJEE C=C(C)c1cccc(NC(=O)Cc2ccc(C)cc2Cl)c1 1618528478 LGADASTUJZUEPW-UHFFFAOYSA-N 299.801 4.863 30 10 CJEE C=CCCC1(CNC[C@@H]2C[C@H]3CC[C@H]2C3)CCCC1 1621004178 MHFZPPFAZIBOLS-ULQDDVLXSA-N 261.453 4.539 30 10 CJEE C=CCCCCCCCCNC1CCN(C(C)(C)C)CC1 1621368199 BKBCRXDEIFLZGN-UHFFFAOYSA-N 294.527 4.756 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)[C@H]1CC2CCC1CC2 1621510905 KZOBKKHJBSSDAA-ZGRYLRDCSA-N 263.469 4.783 30 10 CJEE C=CCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCCC1 1632207432 XXBLFOLQBNFBDJ-UHFFFAOYSA-N 293.794 4.511 30 10 CJEE C=C(CC)CN[C@@](C)(Cc1ccccc1)c1ccccc1 1646183756 GXSNMHIYZZDGSH-FQEVSTJZSA-N 279.427 4.700 30 10 CJEE C=CCOc1cccc(CNCC[C@@H]2CCCC[C@H]2C)c1 1649608400 LPJYJNYGXZOJLJ-AEFFLSMTSA-N 287.447 4.557 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2cc3cc(C)ccc3o2)C1 1651330983 QRNHCUNLNLSMSC-HOCLYGCPSA-N 269.388 4.576 30 10 CJEE C=C(CC)CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1658433906 QNHYBVHSVWHPIE-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@H](C)c1ccc(C)cc1 1658468847 WROHRXCRYYOWRV-KRWDZBQOSA-N 297.417 4.926 30 10 CJEE C=C1CCC(CNCc2cc3cc(C)c(C)cc3o2)CC1 1658564437 VBVOPQFAVSYGSJ-UHFFFAOYSA-N 283.415 4.886 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2cccc(C3CCOCC3)c2)C1 1658676284 YKUASWVWRTYQOG-DNVCBOLYSA-N 285.431 4.737 30 10 CJEE C=CCCCC[C@H](C)NCc1cc(C2CC2)ccc1OC 1658819958 SYLLVIBSYVYQEN-HNNXBMFYSA-N 287.447 4.797 30 10 CJEE C=C(C)c1cccc(N[C@H](C)Cc2ccc(F)cc2)c1 1660849878 FDVFKVWMDCDYGC-CQSZACIVSA-N 269.363 4.902 30 10 CJEE C=CC[C@@H]1CC[C@@H](NC[C@]2(C)CCCc3ccccc32)C1 1662120421 NIMAQRHKDIVZFE-POAQFYNOSA-N 283.459 4.615 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 1665199674 XBCLKBNGUASBPS-CYBMUJFWSA-N 297.414 4.789 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC[C@H](CC(C)C)C2)c1 1674975374 HGZYGIRHYWGMJK-OAHLLOKOSA-N 286.419 4.620 30 10 CJEE C=CCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NCCC 1877362795 CCSWPDZJVYFPSS-HZPDHXFCSA-N 287.428 4.892 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc(O)cc1 1877595434 JHRHEKDGIFLZGI-HUUCEWRRSA-N 263.425 4.792 30 10 CJEE CCCC1CCC(C(=O)[C@H](C#N)c2ccsc2)CC1 1878042464 UMEJKCVIAGVOKY-SSDMNJCBSA-N 275.417 4.531 30 10 CJEE C#CC(C)(C)CN[C@H](CCCCC)c1ccccc1 1878660245 CMOVZKXXQHWSQN-QGZVFWFLSA-N 257.421 4.557 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1ccc(Cl)cc1 1879646199 CUBKUUDQTJLIJF-QGZVFWFLSA-N 277.839 4.964 30 10 CJEE C#C[C@@H](c1ccccc1)N(CC(C)C)C(CC)CC 1883327591 GSQRKVCAQPKSPO-SFHVURJKSA-N 257.421 4.508 30 10 CJEE CCCCCCCCCN1C[C@@H](CC(C)C)CC1=O 1883431135 ZBEZGRJRGMMVKQ-INIZCTEOSA-N 267.457 4.632 30 10 CJEE C#CC[C@@H](C)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1883493896 KDCPRQSVPNMRSA-SJORKVTESA-N 271.448 4.583 30 10 CJEE CC#CCCCC[C@H]1CCCCC[C@@H]1CNC(C)C 1885235109 DBPRRSBCAYWFAT-ZWKOTPCHSA-N 263.469 4.765 30 10 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4.633 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(Cl)c(Cl)s1 1934798129 PICDIZXTDKJOTR-OIBJUYFYSA-N 264.221 4.528 30 10 CJEE CCCCCCCC[C@@]1(O)CC[C@H]1OCc1ccccc1 1934865130 AVWCJEVPKTWIHC-RTBURBONSA-N 290.447 4.847 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(SC)s1 1944682489 AIDOAZFYFJSZMM-SMDDNHRTSA-N 269.479 4.723 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1CC[C@H](C)S1 1946340950 RBRWNRJWMLHWOY-SOUVJXGZSA-N 258.471 4.772 30 10 CJEE C=C(Cl)C[C@@]1(CNCC)CCCC(C)(C)CC1 1950919702 PKHKGQGZUKRZNL-OAHLLOKOSA-N 257.849 4.715 30 10 CJEE C=C(C)CCCN[C@H]1CCCC[C@@H]1c1ccccc1 1962786199 SHXYOBVWOHBPBU-MSOLQXFVSA-N 257.421 4.659 30 10 CJEE CCC(C)(C)C1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 1963150843 TZSFSDAYBQNKOG-ZGRYLRDCSA-N 276.468 4.653 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cscc1C(F)(F)F 1996471883 XABZOJDKJQAQRF-MRVPVSSYSA-N 262.296 4.552 30 10 CJEE C=CCC[C@H](C)[C@@](C)(N)c1cccc(Cl)c1Cl 1996480846 JRJYHEZWDBJSMX-IINYFYTJSA-N 272.219 4.770 30 10 CJEE CCCCCCCN(C)Cc1cc(C)c(C)s1 2004803315 XWAJWXZCQKYJQC-UHFFFAOYSA-N 253.455 4.767 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1 2005344378 DFBHBAQVRMCOQT-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE CCCCCCCCCN(C)Cc1cccs1 2019212786 ZUBGAJUZTHYJPC-UHFFFAOYSA-N 253.455 4.931 30 10 CJEE CCCCCCCCCN(C)[C@@H]1CS[C@@H](C)C1 2019215390 VPJNOIHSNJFSNY-GJZGRUSLSA-N 257.487 4.563 30 10 CJEE CCC(CC)(CS)CO[C@@H]1CC(C)(C)C1(C)C 2025112482 AWJMFDSRSCDOLC-GFCCVEGCSA-N 258.471 4.564 30 10 CJEE Cc1cc(C[C@]2(C#N)CCC(F)(F)C2)ccc1Cl 2030362587 QANQMUUOYDKGTO-CYBMUJFWSA-N 269.722 4.520 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H]1CCCCC1(F)F 2034921348 VIMJVDRJOTXYLX-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCSC1(C)C 2037057760 HWDQXXRUYRAZTG-GJZGRUSLSA-N 271.514 4.986 30 10 CJEE C=CC1(C[C@H](NCC)c2ccccc2Cl)CCC1 2049034177 YPPWENQUHKGWRS-HNNXBMFYSA-N 263.812 4.737 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)ccc1Cl 2053068503 ZJFMQTRWATXYNG-BLLLJJGKSA-N 265.828 4.901 30 10 CJEE C=CCCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1CC 2059113886 DXUCDGRAPHWJOC-BBWFWOEESA-N 251.458 4.927 30 10 CJEE 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YQQIGMZKCQWQSP-UHFFFAOYSA-N 259.418 4.929 30 10 CJEE C=CCCCCCCC[C@H]1CC(F)(F)C[C@@H]1NC 2220083516 HQEIYVGBSKXKOC-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@]1(N)CCCCC1(F)F 2220090647 XPRAKACGLMWBHN-AWEZNQCLSA-N 259.384 4.810 30 10 CJEE C=CCC[C@H](NCCC)[C@H]1CC[C@H](CCC)CC1 2222301006 JIZLJAAVUICBHR-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[S@](=N)(=O)CCCCCCCC1CC1 2223130289 LEVHOBHOZLQZIK-GOSISDBHSA-N 271.470 4.750 30 10 CJEE C=CCCCCCC[C@@H](O)CCc1cccc(F)c1 2224565562 UQSLXDCPOZFRRP-QGZVFWFLSA-N 264.384 4.646 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)CC1C[C@H]2CCC[C@H](C1)C2 2225360286 AAINVZRWRYWBRP-CVYDXHPNSA-N 262.437 4.988 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)C1(C)CCC(C)CC1 2225434209 PLUFATXMCIHJMK-PQUAAJSLSA-N 263.469 4.621 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@H](P(C)(C)=O)C1 2227268290 OIOCWMDQPKJFAH-JKSUJKDBSA-N 286.396 4.809 30 10 CJEE C=CCCCCCCC[C@@H](CCOCC)NCCC 2227270945 HZWFWVOSSBMNJU-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@H](NN)C1(C)CC(C)(C)C1 2227291697 TWNVAFIPZWZTOO-HNNXBMFYSA-N 266.473 4.561 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CCCCCCC[C@@H]1O 2231089270 SMXOAZNSDSCFFJ-IXDOHACOSA-N 268.441 4.612 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CCO[C@H]1CC 2231927634 GKQJDVJYYVOLJW-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@H]1CC[C@@H]1C(F)(F)F 2232574760 ZIORTBHUTYAXNK-ILXRZTDVSA-N 289.385 4.527 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cncn1C(C)C 2235512156 ATFPATCKNJLAFD-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]12CCCC[C@H]1OCC2 2235522342 STAKJNZKSCIYNL-RCCFBDPRSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](O)CCC(C)C 2235526462 LCPDQVPGGMRRBQ-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](CC)C[C@@H](NC)C1 2239450526 WPYWLSBIFKQTLS-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCOc1nc(CO)cs1 2239485141 UYCPVJJJPIGUFN-UHFFFAOYSA-N 299.480 4.935 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](NC)c1cccc(Cl)c1 2239489195 GMNKJAQPDZNOMT-SJORKVTESA-N 295.854 4.752 30 10 CJEE C=C[C@@H](CCCCC)OCCC[C@@H](O)c1ccccc1 2239578123 KLJFVYGMFDMMSP-ZWKOTPCHSA-N 276.420 4.652 30 10 CJEE CCC[C@@H](CS)CN(C)Cc1ccc(C2CCC2)cc1 2240269720 WTOTYLGJMVOBEM-MRXNPFEDSA-N 291.504 4.732 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H]1CCOCCC1(F)F 2240639747 IOARZLOMAWAELR-HUUCEWRRSA-N 291.426 4.529 30 10 CJEE C=CC1(C[C@@H](N)[C@](C)(O)CCCCCCCC)CCC1 2240645332 SSBOMCAIJHQTAK-IAGOWNOFSA-N 281.484 4.562 30 10 CJEE CCCCCCCC[C@@]1(C)O[C@]1(CCC)C(=O)OCC 2240654921 WRCPSRMQLVLNPT-IAGOWNOFSA-N 284.440 4.628 30 10 CJEE C=C(C)CCCCN1CCc2cc(Br)ccc21 2250139542 HGTKDOMQUQJXDM-UHFFFAOYSA-N 294.236 4.558 30 10 CJEE CSCC1(C[C@]2(C#N)CCCC2(C)C)CCC1 2251396500 CJQGXAKRRZRYEL-HNNXBMFYSA-N 251.439 4.630 30 10 CJEE C=CCCCCCNc1ccc2nc(C)sc2c1 2257479727 ZSZPWXWDQLJYJN-UHFFFAOYSA-N 260.406 4.763 30 10 CJEE C=CCCCSc1ccccc1CNC(C)(C)C 2259044361 INNVDKBFZNTKEP-UHFFFAOYSA-N 263.450 4.633 30 10 CJEE C=C(C)CCCC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 2259205613 HQTSDGQBCOUQSF-QWHCGFSZSA-N 264.331 4.607 30 10 CJEE C=C(C)CCCCNC[C@@]1(C)CCCC(F)(F)C1 2259212376 PCRYZLNGANLIAU-AWEZNQCLSA-N 259.384 4.538 30 10 CJEE C=C[C@H](C)CCN[C@H](C)C1CCC(CCC)CC1 2260226191 LNTJOIMSQFAZHY-NJINODPHSA-N 251.458 4.783 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 2264940090 LCKZGCSTSHGYEJ-OLZOCXBDSA-N 274.326 4.671 30 10 CJEE C=CCC[C@@](C)(N)CCC12CC3CC(CC(C3)C1)C2 2265153386 ZAJGBDVJRZSBMR-AWDGRILASA-N 261.453 4.667 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(OC)nc1C 2266848659 YSSXVHBJRBKXRF-ZDUSSCGKSA-N 264.413 4.560 30 10 CJEE CC[C@H]1C[C@H](C)SC(=NCC(C)(C(C)C)C(C)C)N1 2268554040 IXZGGOSVCPBCDI-KBPBESRZSA-N 284.513 4.554 30 10 CJEE Cc1sc([C@@H](O)CC=CC#CC(C)(C)C)c(C)c1C 2268832628 NEHRYPQQYXLWIQ-HNNXBMFYSA-N 276.445 4.703 30 10 CJEE C=CCCCSC[C@@H](NCC)c1ccccc1CC 2271494601 IPTZVNQWBZPJDK-QGZVFWFLSA-N 277.477 4.599 30 10 CJEE C=C(C)CCCC[C@@]1(CNC2CC2)CCC12CCC2 2271751827 AKMBVUPMYMAVRD-SFHVURJKSA-N 261.453 4.825 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C(C)(C)C1(F)F 2271780495 GJDRQQBIQYGDCY-KGLIPLIRSA-N 273.411 4.782 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cscc1OC 2271785202 KXJZXGZKCIMXOR-HNNXBMFYSA-N 281.465 4.934 30 10 CJEE C#CC[C@H]1CCCN(CC[C@H](C)CCCC(C)C)C1 2272302674 LWHPIVIKORERCC-MSOLQXFVSA-N 263.469 4.574 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1cscc1F 2274073650 MZJOSUAEQVHMAD-MRXNPFEDSA-N 279.424 4.512 30 10 CJEE C[C@H]1CC[C@](C#N)(Cc2cccc(C(C)(C)C)c2)C1 2274446062 LLORNGHHZILDBZ-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)C(C)(C)CC 2276139507 HMTGQWVKSBMZIF-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCC[C@@H](CC)C1 2276760638 CXAYKVCNDNHRLF-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCC[C@@](C)(C#N)c1ccc2ccc(Cl)cc2n1 2277661615 WLGGYUFXFGHIRT-INIZCTEOSA-N 272.779 4.860 30 10 CJEE C#CCCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2277882117 XMSYPXBWTKKCNW-NSHDSACASA-N 289.366 4.611 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@H]1OC 2278232455 DHRYAPHMNWTVKU-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(CC)NC(C)C 2278261952 XLJBPKRYBFFKID-JKSUJKDBSA-N 284.513 4.606 30 10 CJEE C=CC[C@@H](CC)N[C@@H](c1ccccc1)C1CCCC1 2278270816 AHALKYHJWBOKKX-MSOLQXFVSA-N 257.421 4.862 30 10 CJEE C=CCCCCCCCC[C@H](NC)C1(OC)CC(C)C1 2281082864 HFWMXCSIJMZWRJ-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@@](C)(O)c1ccnc(C(F)F)c1C 2283197940 NOLKTDIOVWZACH-MRXNPFEDSA-N 285.378 4.896 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(CCC)cc1 2283482167 JEYUWSQJWOMGMA-SFHVURJKSA-N 271.448 4.729 30 10 CJEE CO[C@H](CSC[C@@H](C#N)C1CCCCC1)C1CCCC1 2283986765 GVDFULYPYBRKKQ-IAGOWNOFSA-N 295.492 4.645 30 10 CJEE CCc1ccc([C@H](CC=CC#CC(C)(C)C)NC)cc1 2284093964 DBZUVAJOPZOEEU-SFHVURJKSA-N 269.432 4.505 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@]1(C)CC1(C)C 2284102316 DUBYHNVTDQUJEH-QFBILLFUSA-N 275.480 4.787 30 10 CJEE CC(C)c1ccccc1[C@@H](O)CC=CC#CC(C)(C)C 2284128062 FESRYVXILODQGO-SFHVURJKSA-N 270.416 4.839 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(OC(C)C)cc1 2287420453 JISKFONJEYGXQG-GOSISDBHSA-N 275.436 4.784 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CCOC(C)(C)C1 2287465789 CEASGTMWNWNAHC-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@H]1CC12CCC(F)(F)CC2 2287471020 XCEQNUZRHXTHIP-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE CCCCN(C[C@](C=O)(CC)CCC)c1ccccc1 2287671851 BRFQTCPMSXCLGT-SFHVURJKSA-N 275.436 4.689 30 10 CJEE CC(C)CCC[C@H](C)CCN(CCC#N)CC(F)(F)F 2287964558 JAWUBPIDKHUYQY-AWEZNQCLSA-N 292.389 4.617 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cc(C)cc(Cl)c1 2289852848 UQPAHDKODNWUCO-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCCNC[C@]1(CC#CC2CCCC2)CCC[C@H](C)C1 2289898405 DNQUAPZLZZGAAP-HKUYNNGSSA-N 275.480 4.766 30 10 CJEE CN(CC#CC1CCCC1)[C@H]1CC(C)(C)CCC1(C)C 2290340818 MLTQENSKVAVJHT-KRWDZBQOSA-N 275.480 4.717 30 10 CJEE CCCCCCC[C@H](OCCC(=O)O)[C@H](C)C1CCC1 2290876285 CZQFJVCVBMJPFE-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)C1CCC1)OCCN 2292893004 AZSJQVTWFVPHSB-FUHWJXTLSA-N 283.500 4.907 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)c1cc(C)ccc1Cl 2293135565 ONSBGPLZNIXGFR-PBHICJAKSA-N 295.854 4.657 30 10 CJEE C=CCC[C@H](C)[C@H](OCCCN)[C@H]1CCCC(C)(C)C1 2293139328 QUNJVDFMZAOSBE-ULQDDVLXSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@](C)(C[C@H]1C[C@H]2C[C@H]2C1)OCCN 2293921592 MADJSEHLBWOQHK-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CCOc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1 2294299938 DGRSMLXLFPIHGY-UHFFFAOYSA-N 280.367 4.544 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@H]1CCCC[C@H]1CC 2294401454 ABTVTYMWAXELAG-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C#Cc1ccc2c(ccn2C[C@@H]2CCCC(C)(C)C2)c1 2295204299 CVDGTAKQOOKDFP-MRXNPFEDSA-N 265.400 4.839 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCC[C@H]1CCO 2295674881 WHNPZAGDKYELOW-OKZBNKHCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](C)c1cnn(C)c1 2295691240 JVAGZFZLLRDFST-JKSUJKDBSA-N 279.472 4.600 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H]1CCO[C@@H]1C 2295692591 YDOJSFAOQZMIPS-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCC[C@H](CC)C[S@](=O)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 2295765844 HSQCHFLCDAICOE-JZBZHOAESA-N 297.508 4.670 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccco2)cc1C(C)(C)C 2295967951 NTFARLKZIURKAA-UHFFFAOYSA-N 268.356 4.782 30 10 CJEE CC(C)=CCCCOC[C@](C)(CS)C(C)(C)C 2307108860 HSSIQDXXHAHZTP-OAHLLOKOSA-N 258.471 4.732 30 10 CJEE N#C[C@H](c1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1F 2315351545 PMNPOFUEUSBMSD-WZRBSPASSA-N 269.722 4.615 30 10 CJEE C=C(C)C[C@H](C[C@@H](CC)CC(F)(F)F)NCCC 2319289783 YANJQAZAHMYMPG-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@H](C)C(F)(F)F)NC 2321105334 OKKPQBDYMXAPKI-XQQFMLRXSA-N 265.363 4.545 30 10 CJEE Cc1ccc(NN=Cc2cccc(OCC(C)C)c2)cc1C 2322922753 OUJLIUSRZRXXGG-UHFFFAOYSA-N 296.414 4.784 30 10 CJEE CCCCCCCC[C@@H](C[C@H](CC)CCC)NN 2328188478 DJRDWYUDJJJTRZ-CVEARBPZSA-N 256.478 4.785 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 2328521254 NOGLKGLURREHJU-QLFBSQMISA-N 272.498 4.810 30 10 CJEE CC1=C(C)C[C@H](COC[C@@H](CS)CC(C)C)CC1 2328529042 RXHZAXVRSODTOS-CVEARBPZSA-N 270.482 4.732 30 10 CJEE C=C1CCC(CN[C@H]2C[C@@H]3CCCCCC[C@@H]32)CC1 2329825729 WYIFKXKEHGCPIO-BZSNNMDCSA-N 261.453 4.681 30 10 CJEE O=C(C(=CO)N=Nc1ccccc1)c1ccc(Cl)cc1 2333258976 BOVLXQDCTWQKCI-UHFFFAOYSA-N 286.718 4.706 30 10 CJEE C=CCCCCCCCN[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2333706299 JYPDQNNLEHLBEP-RZFLPCETSA-N 261.453 4.537 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)N)c(C(F)(F)F)c1 2335237805 ISCMHAIBMDLUHB-NXEZZACHSA-N 289.366 4.782 30 10 CJEE CCCCCCCCC[C@@](N)(CC)[C@H]1CCCCO1 2337302618 XXYQHMCZIGPSID-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCO[C@@H](CCNC)c1cccs1 2340643521 KRANKSSXBAOVRT-HNNXBMFYSA-N 283.481 4.776 30 10 CJEE O=C(C=C1CCC1)[C@H](c1ccccc1)C1CCCC1 2342354120 PDCDTEAAABXAQW-GOSISDBHSA-N 254.373 4.640 30 10 CJEE C=CCCC[C@H](O)[C@@H](c1ccccc1)C1CCCC1 2342360146 LEQXOHUSHBTNBY-ROUUACIJSA-N 258.405 4.678 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)ccc(F)c1F 2344347807 FLGMUOHIVZBMFX-CABCVRRESA-N 287.781 4.871 30 10 CJEE CCCCCCCCCC[C@@H](F)[C@@H]1CC2(CC2)CN1 2344504410 FZTLGSUUJOHPFO-CVEARBPZSA-N 269.448 4.997 30 10 CJEE C[C@@H]1CC(C#N)(CC[C@@H]2CCC(C)(C)C2)C[C@@H](C)O1 2344881796 NUVDLOFZWPTAIJ-KFWWJZLASA-N 263.425 4.690 30 10 CJEE CCCc1ccccc1OCC1(CS)CC(C)(C)C1 2345005379 XUTDBAWBARJSCZ-UHFFFAOYSA-N 278.461 4.754 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1cccc([N+](=O)[O-])c1 2352075890 CQTYOJXMKWHCCL-CQSZACIVSA-N 299.461 4.669 30 10 CJEE C=CCCCCCCCCN[C@H]1C[C@@H](C(F)(F)F)C1 2352265302 FCVOKZDPFZYAMW-OKILXGFUSA-N 277.374 4.834 30 10 CJEE C=CC1CC(O)(c2ccc(CCCCCC)cc2)C1 2353105211 ARZSZRIJLYEAJN-UHFFFAOYSA-N 258.405 4.593 30 10 CJEE CSc1ccc(Oc2ccc(C#N)c(SC)c2)cc1 2353835682 UMYLEQGQFFOSNE-UHFFFAOYSA-N 287.409 4.794 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@@H]2CC[C@H]1O2)NCCC 2355020028 MLVAUIYOYBAXJB-XWTMOSNGSA-N 281.484 4.673 30 10 CJEE CC(C)[C@@]12CC[C@H](N(C)CC3(CS)CCCCC3)[C@@H]1C2 2355801942 GLIIUHZHSAJIKS-BQFCYCMXSA-N 295.536 4.623 30 10 CJEE C=CCC(CC=C)S[C@H]1CCC2(CCC2)[C@H]1NCCC 2360325428 XZSSQFRQXGMCHB-IRXDYDNUSA-N 293.520 4.941 30 10 CJEE CCc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)cc1 37935983 SEPAYLDHTJTUCP-MRXNPFEDSA-N 270.763 4.579 30 10 CJEE CCc1ccc([C@@H](C#N)Cc2cccc(Cl)c2)cc1 41391001 CBJFHUDMPQLQSN-MRXNPFEDSA-N 269.775 4.752 30 10 CJEE CSc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)cc1 50429530 CTMQFGHIRKCLPX-CYBMUJFWSA-N 282.412 4.762 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)cc(F)cc1F 59277429 QPBYDBSETPZPRH-CQSZACIVSA-N 273.342 4.725 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(F)ccc1C(=O)OC 59469255 JAWUSSZLAPUISD-ZDUSSCGKSA-N 295.398 4.773 30 10 CJEE N#Cc1cnc2c(F)cccc2c1Nc1ccc(Cl)cc1 64438802 RHSDIIFXXPYACQ-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCCC 66117811 IGVVCZAQESANDF-ZDUSSCGKSA-N 260.377 4.530 30 10 CJEE C=CCCC[C@@H](Cc1ccccc1Cl)NCCC 71276955 FCDYISPTTLOCJP-HNNXBMFYSA-N 265.828 4.607 30 10 CJEE CC(C)c1nc2ccccn2c1/N=N\c1cccc(C#N)c1 71580584 GXMSECYATBYMLV-MRCUWXFGSA-N 289.342 4.745 30 10 CJEE N#C[C@@]1(c2ccccc2)Cc2ccc(C3CCCC3)cc2C1 75933629 YSRCRRBQPGCWHJ-OAQYLSRUSA-N 287.406 4.904 30 10 CJEE N#CC1(Cc2cc(Cl)ccc2Cl)CCCC1 83775697 GAYPYRUGMGNORH-UHFFFAOYSA-N 254.160 4.620 30 10 CJEE SC/C=C/CSc1cc(Cl)ccc1Cl 87096252 IKSRAKHFVHHNDO-OWOJBTEDSA-N 265.230 4.572 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2F)C1 87972708 YGOVGVVPBLXBOO-WBMJQRKESA-N 263.331 4.617 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1c(Cl)cccc1Cl 88171059 OJRZEKQUIMYVQC-MFKMUULPSA-N 283.202 4.878 30 10 CJEE CCC[C@H](CS)COc1ccc(C(C)C)cc1 94582577 DFMSGZFEQJQTFN-ZDUSSCGKSA-N 252.423 4.535 30 10 CJEE C=C(CC)COc1c(C)cc(CNC(C)(C)C)cc1C 97191424 PNQKZENRYYBLLJ-UHFFFAOYSA-N 275.436 4.537 30 10 CJEE SCCCCCCCCCN(Cc1ccco1)C1CC1 97799443 VCLHUDCXUCBUTL-UHFFFAOYSA-N 295.492 4.905 30 10 CJEE O=[N+]([O-])c1ccc(OCCCCCCCCCS)cc1 97799660 QAHFUTHSRIWZEY-UHFFFAOYSA-N 297.420 4.634 30 10 CJEE C=C(C)CCOCc1ccc([C@H](C)CNCC(C)C)cc1 97811598 UPUMTWRAONBPSH-QGZVFWFLSA-N 289.463 4.519 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(C)c(Br)c1 107497127 CZWRGNXUCFTSSV-DGCLKSJQSA-N 279.221 4.911 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)Cn1cccn1 110165415 ZQRLQIIPKQPXBX-SFHVURJKSA-N 293.499 4.782 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)C1CCCCC1 110258180 JIOGMSBKPXKDTA-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCCCOC(=O)CCCNc1ccccc1 110389224 OAUYRPNPJXTYBY-UHFFFAOYSA-N 291.435 4.782 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)C1CCCCC1 110465295 WCBOBZVOGPGMRT-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCCCCn1ccc2ccc(CN)cc21 112930856 AKOLQDDZHSNRQC-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CCCCCCCCOc1nc(C(C)C)nc(NC)c1C 125336339 NUZKBYYADUOEFB-UHFFFAOYSA-N 293.455 4.689 30 10 CJEE CCCCCCCCCCN(C)c1ccccc1CN 128618375 KXTRXFCLIQWQLS-UHFFFAOYSA-N 276.468 4.722 30 10 CJEE N#Cc1cc(N[C@H]2CCc3sc(Cl)cc32)ccc1F 129640462 GCOYQGFNRUCOEN-LBPRGKRZSA-N 292.766 4.512 30 10 CJEE Cc1ccc(Cl)cc1Oc1c(F)cc(C#N)cc1F 134022548 JBZVUBQMKCOMKU-UHFFFAOYSA-N 279.673 4.591 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CSc2ccccc21 135360365 YVKCGQYUZZBLEU-HUUCEWRRSA-N 264.434 4.597 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@H]1Nc1cc(C#N)ccc1Cl 155993642 PKHFUZJWTPOHDQ-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE C=CC[C@@H](C)N[C@H](CCC)c1ccc(Cl)cc1 162629411 CJJWQIZESXDDML-IUODEOHRSA-N 251.801 4.735 30 10 CJEE CCCC[C@H](CCC)Nc1cccc(Cl)c1C#N 226033318 JKQCIZFMNALWCX-LBPRGKRZSA-N 264.800 4.982 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@H]2CCCC[C@H]21 228056826 UJVYVFOJXULPAW-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE C=C(C)C[C@@H](NCCC)c1csc2ccccc12 229734959 UQAKUTXVLINBAS-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCCCCCCCC[C@H](Cc1nccn1CC)NCC 229811438 GNRCNYTVLHUZIT-QGZVFWFLSA-N 293.499 4.564 30 10 CJEE CCCCCCCCC[C@H](CC(C)(C)OC)NC 230965390 DDBUAZBXXBWBBZ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)(C2(C#N)CCC(C)(C)CC2)C1 231020684 RCNCOPNGBWXXRK-CRAIPNDOSA-N 277.452 4.674 30 10 CJEE CCCc1ccccc1Nc1ccc(C)cc1C#N 233362925 DZPVYRVKYHUCLB-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(C)ccc1F 233543320 YCSWCBXQEJLKFN-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H]1CSc2ccccc21 233606039 KHMSYDDIYYZYEM-DLBZAZTESA-N 289.488 4.991 30 10 CJEE C=CCCCCCN[C@H](C)c1ccc(Br)cc1 235204531 AMVAJSQZTRHJNY-CYBMUJFWSA-N 296.252 4.846 30 10 CJEE Cc1ccc(C)c(OCCCCC(C)(C)C#N)c1C 235765207 IYUKNYKLJBLMFJ-UHFFFAOYSA-N 259.393 4.711 30 10 CJEE C=CCCCCC[C@@H](N)Cc1cccc(C(F)(F)F)c1 236314950 YGCNLFYZTLUJLA-OAHLLOKOSA-N 285.353 4.712 30 10 CJEE Cc1ccc(C=Nc2ccccc2Br)s1 252627347 RSKQKGGJKIKRJB-UHFFFAOYSA-N 280.190 4.570 30 10 CJEE CC1(C)CCC[C@H](c2ccc(C3(C#N)CC3)cc2)C1 260587360 KGHCHDJTUAGZBC-HNNXBMFYSA-N 253.389 4.926 30 10 CJEE CC(C)C[C@H]1CCC[C@@H](Nc2ccc(C#N)c(F)c2)C1 307921639 DVHMMQRSSUTQGI-UKRRQHHQSA-N 274.383 4.714 30 10 CJEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(C)c(C)c1 308055148 MFVCVHSXJDQXRN-NVXWUHKLSA-N 271.404 4.552 30 10 CJEE C=C[C@](C)(CNCCC)CC1CCC(C)(C)CC1 310965620 HHDALDPRWIVTKV-KRWDZBQOSA-N 251.458 4.785 30 10 CJEE N#CC(Nc1ccccc1Cl)(C1CCC1)C1CCC1 311355240 NCQCITDUUCMTEX-UHFFFAOYSA-N 274.795 4.614 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CC#Cc2ccccc2)C1 311584479 VRXIITGLAZXQBN-AEFFLSMTSA-N 251.373 4.538 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCCC23CCCC3)C1 312501808 FECRXBIFOUQQSP-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@]1(C=O)CCOc2ccccc21 316587809 DYIITVOWSIFBCT-GOSISDBHSA-N 274.404 4.656 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 320095045 VEOTYIJSVHHTCV-MJVIPROJSA-N 269.310 4.995 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](O)[C@H]1C 384930123 SIDHTAVZCBLVDK-MSOLQXFVSA-N 283.500 4.753 30 10 CJEE C=C(COCCC)[C@@H](NCCC)C1CCCCCCC1 387538197 LSOLWMOUOJIWSJ-GOSISDBHSA-N 281.484 4.698 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)C2(C#N)CCC(C)(C)CC2)C1 394503707 AODUNBJWANXGKT-PMPSAXMXSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCC[C@@H](N)CCN1CCCCC1 395924351 ZRGIRPDIUKGHDZ-GOSISDBHSA-N 282.516 4.721 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 399034402 NTKRQQCCFABBLU-QGZVFWFLSA-N 292.426 4.553 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CCCC)C1CC1 505016726 LKLGKFPGXUCFAN-UHFFFAOYSA-N 286.419 4.602 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@H](C)c2c(F)cccc2F)no1 558335258 MPRHMQPDTJBSLW-GHMZBOCLSA-N 292.329 4.569 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](OC)C1 686353378 WUEDWEOHCXLRCG-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 686475054 XLWMMPMCMZXRCL-BZUAXINKSA-N 268.441 4.900 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc(C)cc(F)c1 686691328 JJBZZRHILUOHPK-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H]1CCCC[C@@H]1C 686700098 XTYYGEDIAOBCMW-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE C=C(C)CC1(CNCC)CC(C)(C)CC(C)(C)C1 688021455 SSBZMKWSYKHAOU-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE C=CCC[C@H](C)Nc1ccc(-c2ccccn2)cc1 689683834 FRQGQLPWUGPWTM-AWEZNQCLSA-N 252.361 4.515 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCN1C(C)(C)C 690403014 MKPLUKHZVHVCIS-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE N#CCc1cccc(NCc2cc3cscc3s2)c1 693993222 MMAVIKYZWDXQLF-UHFFFAOYSA-N 284.409 4.641 30 10 CJEE CCCCCCCCCCCC[C@H](O)C[C@H](N)C1CC1 696035919 UQGIGOFHXXTUGA-ROUUACIJSA-N 283.500 4.786 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC(C)(C)C(C)(F)F)C1 697083677 XIEXMTVMNSOXSX-DOMZBBRYSA-N 260.368 4.843 30 10 CJEE CCCCCCCCC1(CNC2CC2)CC(C)C1 701037535 MOKBSTKCZPYUGQ-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE C=CC(C)(C)CCN[C@H](C)CCc1cccc(C)c1 701871727 MLGPZOKBFZWSSI-MRXNPFEDSA-N 259.437 4.508 30 10 CJEE CCCCCCCC[C@@](C)(N)c1c(F)cccc1OC 704466021 PEUXQWDFMLKCJV-QGZVFWFLSA-N 281.415 4.759 30 10 CJEE C[C@H]1C[C@H](NCc2ccc(C#N)cc2Cl)CC(C)(C)C1 708373626 OAHVJKGYLGSVHS-WFASDCNBSA-N 290.838 4.516 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)F)cc1N 709368779 AQUQLWUMNOLZAF-RISCZKNCSA-N 280.362 4.753 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 712544478 NYICEWXYCYYRDM-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@]1(C#N)Nc1ccccc1Cl 713080254 FHEFCVZONUKUEQ-MLGOLLRUSA-N 276.811 4.860 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(CC)s1 715702288 BLMCUBHZPPHMAT-IUODEOHRSA-N 251.439 4.563 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 715734575 URYPVTYKPDTPGE-TVQRCGJNSA-N 291.744 4.832 30 10 CJEE C=CC[C@@H](C)[C@H](NC)C1CCC(C(C)(C)C)CC1 715769524 NUJIZVRQIBYDME-LMPOIIKSSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)s1 715773986 NNVFJZJKLUMEBH-GWCFXTLKSA-N 257.830 4.654 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ncc(Cl)cc1Cl 715811909 JXZDNGZAPFQPRK-ZWNOBZJWSA-N 287.234 4.641 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CCCS2)CC1 715816390 GTTAEFRMUIFYAG-SLTAFYQDSA-N 251.439 4.772 30 10 CJEE Cc1cc(C)c([C@H](C#N)Nc2cccc(Cl)c2)s1 719459425 TUDULCRZWDIGRO-ZDUSSCGKSA-N 276.792 4.695 30 10 CJEE CCCCCCCCO[C@H](CC)[C@H](C)NCCC 720101306 NOSNWBDFDCDCGU-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE C=CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 722130156 YEOGDLLHOOXQCA-HNNXBMFYSA-N 286.246 4.870 30 10 CJEE CCCCCCCCC[C@]1(N)CC[C@@H]2COCC[C@@H]2C1 723657884 QDRGUMYFYKKLDW-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=C1CCC(CSc2ccc(N)c(Cl)c2)CC1 724557651 XUIUCMBWQGVXJV-UHFFFAOYSA-N 267.825 4.761 30 10 CJEE CC(C)c1ccc(/C=C/C(=O)c2ccc(C#N)cc2F)cc1 781107987 MCLXNTMYUSICDQ-UXBLZVDNSA-N 293.341 4.717 30 10 CJEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C/C(=O)O 1077991949 YQIDBBQAWLMULK-NJBLVXRQSA-N 276.420 4.816 30 10 CJEE biogenic CCc1ccccc1N=Cc1ccc(N2CCCCC2)cc1 1084151313 CDHPIMUAGBGMPM-UHFFFAOYSA-N 292.426 4.990 30 10 CJEE C=C(C)CCC(=O)Oc1ccc(OCCCCC)cc1 1124347718 FJSDQBAXLKWMRD-UHFFFAOYSA-N 276.376 4.517 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)cs1 1126142731 ZEANSAZAADKBFY-UHFFFAOYSA-N 297.851 4.610 30 10 CJEE C=CCC1(CNC(=O)C2(CC=C)CCCCC2)CCCC1 1128862265 OVEYOCQXDNZENB-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccc(C)cc1C)CC(C)C 1130034694 SRSCRUHFEZUDLA-UHFFFAOYSA-N 287.447 4.644 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cccc(C)c1)c1ccccc1 1133168517 ZLRBEPQEUSANNY-LJQANCHMSA-N 293.410 4.822 30 10 CJEE C[C@@H]1CCCC[C@H]1CSc1cccc(F)c1C#N 1166246468 HPEYMCDCDWCZKF-NEPJUHHUSA-N 263.381 4.616 30 10 CJEE C=C(C)CN(CC)[C@@H](c1ccccc1)c1ccc(F)cc1 1167975945 LCCJSWABXVQYNO-IBGZPJMESA-N 283.390 4.813 30 10 CJEE CCCCCCCCCN1CCC[C@H](CSC)C1 1170615125 WODBDQNXJKNPAY-INIZCTEOSA-N 271.514 4.812 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2OC)C1 1205489454 QZIYNMKINMQXBV-DGCLKSJQSA-N 265.784 4.505 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc(Cl)s1 1307664274 DPAWDXGJUZJPAU-GFCCVEGCSA-N 269.841 4.636 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](C)CCCC(C)C)c1ccccc1 1350054009 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CC(C)(C)C1CCN(c2cc(Cl)c(F)cc2C#N)CC1 2184415088 IZGBLBVNDRLAEY-UHFFFAOYSA-N 294.801 4.613 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](N)CC#C[Si](C)(C)C)CC1 2187479217 BHOGMPWFBSPMEW-KZNAEPCWSA-N 293.571 4.971 30 10 CJEE CCCCCCCCC(=O)c1cccc(OCCF)c1 2189511175 BRLIBORRDMLMKV-UHFFFAOYSA-N 280.383 4.968 30 10 CJEE C=CC1(CNCc2ccc(OC)cc2Cl)CCCCC1 2189513104 SOPSBPNABDOTPT-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=CC1(CN[C@H]2CCC[C@@H](P(C)(C)=O)C2)CCCCC1 2189521068 KGZNALQLCYSHPW-JKSUJKDBSA-N 297.423 4.646 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1CCOCC12CCC2 2189748632 NKTHGJJWCFIVRB-SJORKVTESA-N 281.484 4.532 30 10 CJEE CO[C@H]1C[C@@](C#N)(CC2CC(C(C)(C)C)C2)C12CCC2 2190394050 VOEYFIFQVCHBAQ-UMPYDWHISA-N 275.436 4.548 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]21 2190497511 NPDNVFGEIBRJOD-XLAORIBOSA-N 281.484 4.530 30 10 CJEE C=CCC[C@H](C)N(C)c1ccc(Cl)cc1CNCCC 2190847125 QGADGUWZVUFMBP-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE CCCCCCCCC[C@H](C[C@]12CCCC[C@@H]1C2)NN 2194530710 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281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)c1cccnc1N 2207389068 BYHBEBDXGKCKOA-UHFFFAOYSA-N 274.408 4.543 30 10 CJEE C=CCCCCCCCCCOC[C@@H]1CCC[C@H]1CN 2207403763 KGKDNZYRBNXKBA-ROUUACIJSA-N 281.484 4.685 30 10 CJEE C=CCCCCCCCCCC(=O)CCN1CCCC1 2207429128 GGGXOVFHPWEDGN-UHFFFAOYSA-N 279.468 4.738 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H]1[C@@H]2CCC(F)(F)[C@H]21 2207431670 HQOJDKRFMOULKR-YHUYYLMFSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@@H]1CCOC1)NC 2207432565 QIEVDCBQIKBJBT-ROUUACIJSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@H](C)C1CCCC1 2207446735 FGFGHMZTHXUINQ-AEFFLSMTSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)CC(C)(C)[C@@H](C)NCCC 2207458313 SDNQCNSOKPTHOY-SJORKVTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)[C@@H]1CCC[C@H](CC)C1 2207459880 XKSXCRREFMIOLP-XWTMOSNGSA-N 283.500 4.642 30 10 CJEE CCCCC#CCNc1c(C)cc(F)cc1Br 2217141429 LTQAVUVHNBUAFF-UHFFFAOYSA-N 298.199 4.502 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1csc(Cl)c1 2217148916 RSAGAMPBWYNEHU-BXUZGUMPSA-N 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260.421 4.815 30 10 CJEE C=CCCCCCCC[C@H](O)c1c(Cl)ncn1CC 2227275375 YSMZTNTZSHFMNN-ZDUSSCGKSA-N 284.831 4.507 30 10 CJEE C=CCCCCCCC[C@@H](CCCOC)NCCC 2227275767 ZTDYAZNSUHIMKN-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@]1(C)CC1(F)F 2227284170 AUYUMSIQCORHNY-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cnc(C2CC2)s1 2227289957 XTFURIGGDPSUCB-CQSZACIVSA-N 278.465 4.937 30 10 CJEE Cc1c(C2=CCCCCC2=O)cccc1C(F)(F)F 2227672578 KNWPDXYSKONFKN-UHFFFAOYSA-N 268.278 4.540 30 10 CJEE C#CC[C@H]1CCCCN1CCCCCCCC1CC1 2230947608 IKKGTBDDWHFWSB-SFHVURJKSA-N 261.453 4.615 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1cccc(Cl)c1C 2231499406 IULAOJAHUMJVSR-KRWDZBQOSA-N 277.839 4.525 30 10 CJEE C=CC[C@@H](C)Oc1cccc(CN[C@@H](C)CC)c1Cl 2231582693 RXEZBTTYOQCPJI-QWHCGFSZSA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@]1(C#N)CC=CCC1 2231855718 MNPLNCRSMOADCJ-IAGOWNOFSA-N 263.425 4.738 30 10 CJEE C=CCC[C@H](C)C(=O)[C@@](C)(O)CCCCCCCC 2231924565 IJPKIISCWPIEAC-RDJZCZTQSA-N 268.441 4.659 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CCOCC[C@@H]1C 2231936149 ZSUVJNGXJSOZHN-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CC(C)=CC[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 2233293589 AAIZTGMWVFSGJX-KRWDZBQOSA-N 276.468 4.775 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(C(C)(C)C)cc1 2233791795 RUGMFRCJYBVKFL-SFHVURJKSA-N 271.448 4.828 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](NC)c1sc(C)cc1C 2234198882 HNQMPPXJUQUHRR-DLBZAZTESA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CCCC(C)(C)C1 2235524450 QARPRJDYOKSBRH-SJORKVTESA-N 280.500 4.951 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)CCOC(C)(C)C1 2235525710 CXKYXAUDAVOYMV-GOSISDBHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CC[C@H](C)C[C@H]1C 2235536310 UVLUYXMNYOHTCN-JZXOWHBKSA-N 280.452 4.659 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@H]1CNCCC 2239466301 ANPKYRJVNOQTTA-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCN[C@@H](C#Cc1ccc(Cl)cc1)C1(C)CCCCC1 2239567216 FAENJIQVLLDHHB-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1ccc(C2CCC2)cc1 2240351141 YUPOQACSCYTVPE-SFHVURJKSA-N 269.432 4.654 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@](C)(O)CCCCCCCC 2240666211 KVTKOCODTCMVTH-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(C)ccc1Br 2250148289 YTCQFQBQXKFKBD-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE CC1(C[C@@]2(C#N)CCC2(C)C)CC(C(F)(F)F)C1 2253690870 ILUJYZRZLVBJQU-KGPNIALWSA-N 259.315 4.685 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCC(C)(F)F)C1 2256447349 ZYRQTXGTJMRZDT-UPJWGTAASA-N 275.408 4.873 30 10 CJEE C[C@@H]1CC[C@@H](CSC[C@H](CS)c2ccccc2)C1 2256660922 KKVIVAAHSIFVSH-FMKPAKJESA-N 280.502 4.869 30 10 CJEE C=C(C)CCCC[C@@H]1CCC(F)(F)[C@H]1NCCC 2259192212 CRIAFAKYSORPAT-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCCCCN(C)[C@H]1CC(C)(C)CCC1(C)C 2261437903 FTGUCIARYWPAPC-HNNXBMFYSA-N 251.458 4.879 30 10 CJEE CC1(C)CCO[C@H](CC2(C#N)CCCCCCC2)C1 2265619876 MTDKJNXAVZVMOT-HNNXBMFYSA-N 263.425 4.836 30 10 CJEE C=CCC(C)(C)Oc1sc(CNCCC)c(C)c1C 2265928978 ZBTGTCPTSXJTAN-UHFFFAOYSA-N 281.465 4.598 30 10 CJEE Cc1ccc(C#N)c(Nc2c(F)cc(Cl)cc2F)c1 2266841249 LTVITDQHCDRHTB-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CC1CC(C)(C)C1 2268480075 MGWNESKMWSAGCK-IBGZPJMESA-N 285.497 4.996 30 10 CJEE CC(C)(C)C#CC=CCC1(CN)CCC(C)(C)CC1 2268752010 FVWWVAGKKSFVDB-UHFFFAOYSA-N 261.453 4.528 30 10 CJEE C=CCCCCCC(=O)c1c(C)cc(OC)cc1C 2270983514 AJFFZUVYUDRDJV-UHFFFAOYSA-N 260.377 4.631 30 10 CJEE C=CCCCCCCCSc1c(F)cccc1CN 2271520107 RRPHLHRNVIUGJP-UHFFFAOYSA-N 281.440 4.903 30 10 CJEE C=C(C)CCCC[C@@]1(O)CC[C@H](C)c2ccccc21 2271789846 XZVNHRITVZGGQX-MAUKXSAKSA-N 258.405 4.908 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CC2(C1)CC2(C)C 2271832746 GLPIJQJHUVMSTE-PQUAAJSLSA-N 263.469 4.927 30 10 CJEE C=CCC[C@H](C)[S@](=N)(=O)C1CC2(C1)CC1(CCC1)C2 2273932710 ROFPEFHRMSIRAY-DJJJIMSYSA-N 281.465 4.501 30 10 CJEE C=CCCCCCCCC(CC)(CC)OCCCN 2276070656 LKGHJSHRLCWQNK-UHFFFAOYSA-N 269.473 4.827 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)CC1=CCCCC1 2281265386 ISLSPXJIAMXSAN-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE C[C@H]1CC[C@@]2(CSC(=NC(C(C)(C)C)C(C)(C)C)N2)C1 2281569366 FNWBHRFJVZHFNR-SJCJKPOMSA-N 296.524 4.698 30 10 CJEE CC(C)c1ccccc1[C@H](N)CC=CC#CC(C)(C)C 2284090441 PGODZYOHGSYKFX-GOSISDBHSA-N 269.432 4.806 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC(C)(C)SC 2284104229 ZLTOBYXDYMGVBA-INIZCTEOSA-N 295.536 4.882 30 10 CJEE CCCCCCCC[C@H](N)c1nc(C)cc2occc12 2284264396 OVHCNIYIJDJWTM-HNNXBMFYSA-N 274.408 4.887 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1COC2(CCC2)C1 2284826210 LXVXCGJDIRQWSX-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 2287408198 GCFOMYOUTBJUSJ-FPSMNIFISA-N 281.484 4.551 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1ccc(C#N)cc1F 2287964585 JFZYYRFMVGWMII-CQSZACIVSA-N 276.399 4.962 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1CC2(CCCC2)C1 2289694600 WXRCUHIIRAXNJA-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(Cl)c(F)c1 2289881759 NDWWVZLJQMOTFR-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CC(C)Cc1ccc(C(=O)CC#CC2CCCC2)cc1 2289903234 AHICFYNOOBFMNM-UHFFFAOYSA-N 268.400 4.652 30 10 CJEE CN(C[C@@H](C#N)C(C)(C)C)[C@@H]1CC(C)(C)CCC1(C)C 2290308957 UTLPXHFYFHZQKE-HUUCEWRRSA-N 278.484 4.709 30 10 CJEE CCCCCCCCCC(=O)[C@@]12CC[C@@](CF)(C1)OC2 2290456024 DDGUXDVJGBMCAI-IRXDYDNUSA-N 284.415 4.605 30 10 CJEE C=CC[C@@H](C)[C@@](C)(CCCCCCCC)OCC(=O)O 2290721028 WLVJMXCPGJPPMR-NVXWUHKLSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1cccc(Cl)c1 2290917256 GXEFTLNYLWNTAG-HNNXBMFYSA-N 298.810 4.843 30 10 CJEE C=CCCCCC[C@]1(OCC(=O)O)CCCC[C@@H]1CC 2291438474 DGQGVBLHKIYWGB-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@H](OCC(=O)O)C(C)(C)CC 2292576309 HDPPMVBPYMGOJA-OAHLLOKOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)C1CCC1)OCCN 2292893003 AZSJQVTWFVPHSB-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)C1CCC1)OCCN 2292893005 AZSJQVTWFVPHSB-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1[C@H]2CCCC[C@H]21 2293025169 FLYIKKSMLZWYMT-XDNAFOTISA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@](C)(CC[C@@H](C)C(F)F)OCCN 2293148137 NFUWZXQALADVQX-ZBFHGGJFSA-N 293.442 4.762 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@H]2CC[C@H]21 2293373763 MNKDGIJQNPROPB-KSZLIROESA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)[C@@](CC)(OCCCN)c1ccc(Cl)cc1 2293515952 LVUQXKQDUGSFSJ-WMLDXEAASA-N 295.854 4.523 30 10 CJEE CCCCCCC[C@]1(OCCCN)C=CCCC1(C)C 2293686390 XFNZAULZYRTAOI-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@](C)(CCC1CC1)OCCN 2293853871 CJHHFFSOUAZBBK-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC[C@H](C)CC1)OCCN 2294069693 UEFBMBQLBPCLTB-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=C(CC)C[C@@](CC)(OCCN)C1CCC(C)(C)CC1 2294167203 QKYYONYUVYQMET-GOSISDBHSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCCCC[C@H]1C(C)C 2294267503 SWQIVUFHGNFGNQ-FUHWJXTLSA-N 281.484 4.539 30 10 CJEE Cc1ccc(C(=O)C=Cc2cccc(Cl)c2)c(C)c1 2294300024 LBTSOYYRBPZRGX-UHFFFAOYSA-N 270.759 4.853 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc2cccc(Cl)c2n1 2294980177 XIGNRVXZRSUQPY-MLGOLLRUSA-N 288.822 4.751 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@H]2CC[C@H]1O2 2295578605 AFAKMXGOBFJHMX-TVFCKZIOSA-N 281.484 4.802 30 10 CJEE CCCCCCCCC[C@@](C)(OCCN)C1=CCCC1 2295678847 KGXDSRPSRXYAKM-GOSISDBHSA-N 281.484 4.971 30 10 CJEE C=C1CC([C@@H](O)c2ccc3oc4ccccc4c3c2)C1 2295798395 BZASFARCTVMIAM-SFHVURJKSA-N 264.324 4.586 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2302838964 ISTXDFRXQIKRFS-FZMZJTMJSA-N 270.203 4.610 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(Br)c1C 2304035015 IHICGCDJAHIXOQ-AWEZNQCLSA-N 296.252 4.620 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(Br)c1 2304039930 CDNUXCNGNWDCMY-GJZGRUSLSA-N 296.252 4.702 30 10 CJEE C=CCC(C)(C)C(=O)c1ccsc1C(F)(F)F 2304053859 YXQPWPDKQXTHLO-UHFFFAOYSA-N 262.296 4.552 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C)c(Cl)c1 2304129488 SSRKCVBRSSLVJZ-HUUCEWRRSA-N 252.785 4.674 30 10 CJEE C=CC[C@H](C)SCc1csc(CNCC(C)C)c1 2313532808 ZFIMJDHCZBNJOR-ZDUSSCGKSA-N 283.506 4.692 30 10 CJEE C=CC[C@H](C)S[C@H](c1cccc(Cl)c1)[C@@H](N)CC 2313641310 IOVGGLVURJJTQF-TUKIKUTGSA-N 283.868 4.816 30 10 CJEE C=CCC(CC=C)N(C)Cc1cc(C(F)F)cs1 2316722521 RAXWFKFJZFUVON-UHFFFAOYSA-N 271.376 4.638 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1ccc(Cl)c(Cl)c1 2316730316 QEIFRVLPDKLBKR-OAHLLOKOSA-N 284.230 4.936 30 10 CJEE C#Cc1ccccc1NCc1cc(Cl)cc(Cl)c1 2317640448 VKLLTPGIIOAUIV-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE C=C(C)CON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2318633791 PDQFLNIMMWHLDD-UHFFFAOYSA-N 271.404 4.691 30 10 CJEE CCCC(CS)(CCC)COC[C@@H]1CC12CCC2 2318816112 YPSBIUZBJNJPSR-AWEZNQCLSA-N 270.482 4.710 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2319255877 OSXFLKJSASXODC-XPTSAGLGSA-N 288.193 4.749 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(F)c(Cl)c1F 2321101515 KFOZOJKRPIHXPM-UONOGXRCSA-N 273.754 4.610 30 10 CJEE CCCCCCC[C@@H](C)NC[C@]1(Cl)CC12CCC2 2326819043 DOILVXYXIBPFCV-GDBMZVCRSA-N 271.876 4.877 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@@H]2C[C@H]2C2CCCC2)C1 2332702881 RBEXNTPQTUMKKZ-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](C)S[C@H]1CC2(CCCC2)CC[C@@H]1NCC 2335096717 PWHYNPUYGLYXRY-JYJNAYRXSA-N 281.509 4.775 30 10 CJEE N#Cc1ccc(Cl)c(NC(CC2CC2)CC2CC2)c1 2335149562 HCNRRLJVUGYPHA-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE C=CCC(CC=C)Sc1ccccc1CNC1CC1 2335236615 YQONUVSYUGLEAO-UHFFFAOYSA-N 273.445 4.552 30 10 CJEE C[C@H]1CC[C@H](CSC[C@@H](C#N)c2ccccc2)CC1 2335351921 KDUGIJDHBDYJAV-BFYDXBDKSA-N 273.445 4.853 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(F)cc(Cl)c1 2337110330 ZPBKJUYYHPMFNQ-OZVIIMIRSA-N 281.802 4.875 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)ccc1C 2337113485 IMBGILWCCWMGCD-LZLYRXPVSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@H](OCCCN)c1csc(Cl)c1 2338698833 IPSAPDJGQCOXKB-HNNXBMFYSA-N 299.867 4.576 30 10 CJEE C=CCC(CC=C)Oc1cc(C)c(Cl)cc1[C@@H](C)N 2338701740 HASIDAFWYUXSCV-GFCCVEGCSA-N 279.811 4.568 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCCC1(C)C 2338733720 VEZNCOXGJINFCN-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1cccc(C)c1C 2338737463 DMMJCEMNSHIMLZ-SFHVURJKSA-N 257.421 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1c(C)cc(C)cc1C 2338737497 DRHRTUFRCGJCFN-GOSISDBHSA-N 257.421 4.641 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21 2338738166 KJBVMEFKMNKQQL-MHORFTMASA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@@H](C)c1ccccc1)NC 2338746459 GWNCSHSXSZJRMM-CRAIPNDOSA-N 257.421 4.537 30 10 CJEE C=CCCCCCCC[C@]1(N)C[C@H]2C[C@H]1CC21CC1 2339205856 CXIXAESPOMTPPT-RYRKJORJSA-N 261.453 4.811 30 10 CJEE CC1=C(C)C(=O)[C@@H](C[C@H]2C[C@H]3C=C[C@H]2CCC3)CC1 2339247053 SANHYWPUTSSWEN-QBPKDAKJSA-N 258.405 4.684 30 10 CJEE CC(C)[C@@H](C#N)COc1ccc(C(F)(F)F)cc1Cl 2341109504 FWPZUYNYMCRJIH-VIFPVBQESA-N 291.700 4.533 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 2341217782 ABKSRUPUDNYVNS-WFASDCNBSA-N 297.229 4.555 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1CCC2(CC2)C1)NCCC 2344347981 GUNGQJBNTFSIGX-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccsc1OC 2344377005 RQMOIMCNARFHBR-HOCLYGCPSA-N 281.465 4.790 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(CC2CC2)cc1 2344382342 XGSMXDJQKAGHDS-GOSISDBHSA-N 256.389 4.814 30 10 CJEE C=CC[C@@H](C)[C@@H](CCC1(C(F)(F)F)CC1)NCCC 2344790556 SEOIFRJCOQNGBY-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C=CCCCCCCCS[C@]1(C(=O)O)CCC1(C)C 2352150796 VNKMKNJSHCMNKL-INIZCTEOSA-N 284.465 4.890 30 10 CJEE CCCCCCCC[C@@H](N)c1cncc(C(F)F)c1 2353490910 KQPZOEVHZOIGST-CQSZACIVSA-N 270.367 4.770 30 10 CJEE CCCC1(Nc2ccc(C#N)c(SC)c2)CCCC1 2353825594 RPBSMWKPZUGODA-UHFFFAOYSA-N 274.433 4.805 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1C1CCOCC1 2357734101 DFJNNGXUTGEBMT-KURKYZTESA-N 282.468 4.551 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359126725 PBRHQUWVSUVPNW-VSZNYVQBSA-N 281.484 4.660 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@]12CCOC[C@@H]1C2 2360179975 PQENPIVMIDTUSK-SQNIBIBYSA-N 281.484 4.532 30 10 CJEE C=CC[C@@H](C)SCc1cc([C@H](C)NCC)ccc1OC 2360324996 UMDHSWQKLSMGNB-KGLIPLIRSA-N 293.476 4.564 30 10 CJEE O=C1/C(=C/c2ccccc2Cl)CC[C@H]1C1CCCC1 248058 FMJQRRQLNYXDNK-GOFCXVBSSA-N 274.791 4.893 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)s1 49131152 FTEXDCJOADGEQQ-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(CN(C)C)cc1 59474623 INXGXJNEPUFEPY-MRXNPFEDSA-N 276.468 4.909 30 10 CJEE C=CCCCOc1ccc2cc(Br)ccc2c1 71275579 DMXQXAMRQNHQBJ-UHFFFAOYSA-N 291.188 4.947 30 10 CJEE CC(C)(C)[C@H](CS)CSCc1ccccc1 87097312 BTXBULPLMSEOAY-CYBMUJFWSA-N 254.464 4.512 30 10 CJEE N#CC1([C@H](O)c2ccc(Cl)cc2Cl)CCCCC1 91880759 BNHWFXCGHCGGLU-CYBMUJFWSA-N 284.186 4.501 30 10 CJEE C=CCOc1ccc(/C=C(\CNCC(C)C)C(C)C)cc1 92728342 JXPDKMFPEGCQJD-LDADJPATSA-N 287.447 4.536 30 10 CJEE CC(C)c1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 93492074 QWVJABCZBDZCLT-CYBMUJFWSA-N 284.428 4.594 30 10 CJEE C=CCC[C@H](NCC)c1cc2cc(F)ccc2s1 97220933 DNCCSCJRFRPEFV-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=CC[C@@H](Sc1ccccc1)[C@@]1(C)CCCCC1=O 104837414 TYLRCBBPGXAOQA-SJORKVTESA-N 274.429 4.873 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C)c(C)c1 106020214 YKFIHKHTCDYTAX-UHFFFAOYSA-N 261.409 4.993 30 10 CJEE CCCCCCCOCc1oc2ccccc2c1C(=O)O 106898672 GTJZKYRDPRQLQO-UHFFFAOYSA-N 290.359 4.618 30 10 CJEE CCCCCCCOCc1cc(CNC(C)(C)C)co1 107345097 MGMFKFJJHIDBEU-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(F)c(C#N)c1 109947716 XKNBJWPXQLKGET-HOCLYGCPSA-N 274.383 4.714 30 10 CJEE CCC1CCC(CNc2ccc(Cl)cc2C#N)CC1 110257293 VCLOARVXAXMEEZ-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC/C(=N/O)c1ccc(O[C@H]2CCCC[C@H]2CC)cc1 111780319 SBKPIODKRBDACG-GKXRLNEWSA-N 275.392 4.623 30 10 CJEE CCCCCCC[C@H](O)c1ccccc1OC(F)F 114873403 FOKZFHVJEZHZAT-ZDUSSCGKSA-N 272.335 4.682 30 10 CJEE CCCCCCCC[C@H](NCCC)c1c(Cl)cnn1C 129595490 GYHLXWGNLPHCBS-HNNXBMFYSA-N 299.890 4.865 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@H]1CCOC1)NN 130590032 MPRWKNVUJFWVQP-QZTJIDSGSA-N 298.515 4.556 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cccnc1OC 139477322 STCRPVJWXIXMJW-QGZVFWFLSA-N 292.467 4.882 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1csnn1 143446884 RAZZUGWYRJCLJL-CQSZACIVSA-N 283.485 4.720 30 10 CJEE Cc1ccsc1[C@](C)(O)C1(C#N)CCCCCCC1 158992323 AOHYFWBYISFSRL-HNNXBMFYSA-N 277.433 4.518 30 10 CJEE C=CCC[C@@H](N)c1ccc2cc(Br)ccc2c1 167815779 PKULWBBAODLJLI-OAHLLOKOSA-N 290.204 4.568 30 10 CJEE CCCCCCCCCCNc1ncc(Cl)cn1 168041760 DLOZVMKALDVCKO-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1Cl 188292258 UPJTXNKHAKZMIO-GFCCVEGCSA-N 295.810 4.668 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1OCC[C@@H]1C 229149879 MSFWTYPJIUGYTJ-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@H](C)NCCCCCSC 232946449 CTNQOJGVTXUWDI-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCC[C@@H](CN)Nc1ccccc1C 232971077 UZTOESVUPGKGOA-KRWDZBQOSA-N 276.468 4.875 30 10 CJEE CSc1ccc(C(=O)C2=CCCCCCC2)cc1 235072115 SMEQCVPHKDQOMH-UHFFFAOYSA-N 260.402 4.872 30 10 CJEE Cc1cccc(N[C@@H](C)c2ccc(Cl)c(F)c2)c1C#N 235537957 PUYVWEILVDYVQJ-NSHDSACASA-N 288.753 4.832 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(F)c2F)cc1Cl 235912517 IFCGSUXBNRZWMA-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE Cc1ccc(Oc2cccc(C(C)(C)C)c2)c(C#N)c1 235925548 FNEWKRXENDRZJD-UHFFFAOYSA-N 265.356 4.957 30 10 CJEE Cc1cc(C(C)(C)C)ccc1NC[C@H](C#N)C(C)C 258978400 LXYBTMMGMYILLM-AWEZNQCLSA-N 258.409 4.500 30 10 CJEE CC(C)(C#N)Cc1coc2c(C(F)(F)F)cccc12 260477041 UXYHWIVNWPNIHF-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE Cc1oc2c(C3(C#N)CCCCC3)cccc2c1C 260677920 QCDGQZSZYTWXEH-UHFFFAOYSA-N 253.345 4.775 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1CCCC(F)(F)C1 302470111 ZNPGSKUNVWJAQY-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1Cl 308091174 RIFYZGHIGDYURR-ZDUSSCGKSA-N 292.810 4.613 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)cc1 310469323 HVFMANXWQUZLFQ-GFCCVEGCSA-N 251.801 4.593 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@@H]2CCOc3ccccc32)C1 312475292 GKWRTYZGKBPDTC-RVKKMQEKSA-N 269.388 4.663 30 10 CJEE C=CCCCCCCNCc1cccc(Cl)c1F 380774608 UQQWWLKNTLDFNR-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE C=CCC(C)(C)COc1ccc(C#N)c2ccccc12 381188477 IGKCLGGHVUUNIQ-UHFFFAOYSA-N 265.356 4.693 30 10 CJEE CCCCCCCCCCCCNC[C@H](CC)OC 381817886 HGFLKJSVIRXNHD-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE N#C[C@]1(C[C@H]2CCCC2(F)F)CCc2ccccc2C1 382199992 RUEYFFMRTBCZFO-HZPDHXFCSA-N 275.342 4.511 30 10 CJEE CCCCCCCCCn1ccc(CNCC)c1CC 384024283 QFMWBSHJPLOQIR-UHFFFAOYSA-N 278.484 4.911 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cccc(Cl)c1F 384819669 DXDHISSUBUTWQL-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CCCc1ccccc1N=C1N[C@H](C2CCCC2)CS1 386229118 JPQCLMVQUYEXOH-INIZCTEOSA-N 288.460 4.522 30 10 CJEE C=CC[C@@H](CC)n1c(S)nc2ccc(Cl)cc21 393831077 BSPNBOPKCJDLLL-SNVBAGLBSA-N 266.797 4.506 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2sccc2Cl)CC1 394096768 XKZSUFLDEQYLRH-XGTXGMFGSA-N 297.851 4.935 30 10 CJEE C=C[C@@](C)(CNCC(C)C)CC1CCC(C)CC1 394131952 ZJCGLKYXVCHGPN-OFLPRAFFSA-N 251.458 4.641 30 10 CJEE CC1(/C=C\B2OC(C)(C)C(C)(C)O2)CCCCCC1 396741381 QQJZNVFWXDJCCQ-SEYXRHQNSA-N 264.218 4.535 30 10 CJEE CC(C)CCC[C@H](C)NC[C@@H](C#N)C1CCCCC1 397285701 JUCOUQNPDNOIPV-DOTOQJQBSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCC[C@@H](N)CC[C@@H]1CCOC1 401356130 GRTYRKKVDRIGMJ-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](C[C@H](CC)CC(F)(F)F)NN 402440704 NNRYVGOBMSTGCP-KBPBESRZSA-N 296.421 4.938 30 10 CJEE CCCCCCCCC[C@H](NC)c1cnsc1 404598191 SZXRCRJWQDPCAB-AWEZNQCLSA-N 254.443 4.544 30 10 CJEE CC(C)[C@@H](CCc1ccccc1)NCC1CCC(C#N)CC1 442869862 PYOCYIKHFPWDEW-SOAGJPPSSA-N 298.474 4.563 30 10 CJEE C=C[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1OC(F)F 675933541 GJTVFXOFRPEJTH-NEPJUHHUSA-N 291.341 4.666 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@@H](OC)C1 686351171 YSBZMNLSWQJEQT-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE C#CCCCCC[C@H](NCCC)C1CCC2(CC1)CC2 686704124 QDCXMEFHBGVZLY-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCC1(CC)CCCN(C[C@@H](C#N)C2CCCCC2)C1 690562349 WUSUUWPTDRFCBC-QGZVFWFLSA-N 276.468 4.609 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1sc(C)nc1C 692191842 UIYCCZMBMKWYMX-BPLDGKMQSA-N 278.465 4.545 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1sc(C)nc1C 692191844 UIYCCZMBMKWYMX-NWANDNLSSA-N 278.465 4.545 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@@H]1CCCCN1 696472335 KGKPUORITNNWLJ-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1C(C)(C)CCC1(C)C 699620200 GEQFATAGGMZAGW-LSDHHAIUSA-N 263.469 4.926 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CNCCS1 703838915 ZYDYCUJDMFTQSO-KRWDZBQOSA-N 299.524 4.572 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(C(C)C)cc1 703955907 VLSPOYNUEWRJDI-UHFFFAOYSA-N 259.437 4.892 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(OCC)cc1 703995453 HSGWAPOLAVCKNR-OAHLLOKOSA-N 275.436 4.728 30 10 CJEE N#Cc1cccc(-c2csc([C@H]3CCCC34CC4)n2)c1 706210135 RDEVLILORNOOQI-CQSZACIVSA-N 280.396 4.729 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CC[C@H]4CCCC[C@H]43)C[C@@H](C1)C2 714282836 PZTXFWAYGZDIGX-HFGGYJBXSA-N 273.464 4.680 30 10 CJEE C=CC[C@H](C)[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 715789008 OEPVAFCWRWGWMT-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCCc3sccc32)CC1 724558617 BOBNQOUNDHEUOI-HOCLYGCPSA-N 276.445 4.665 30 10 CJEE C=C1CCC(CNc2cc(C)c(Cl)cc2OC)CC1 724560193 SJVZQLKENUETPZ-UHFFFAOYSA-N 279.811 4.815 30 10 CJEE C=CCC[C@H](C(=O)Oc1ccc(CC)cc1)c1ccccc1 1124234255 XUQIWPOOLIQYLE-IBGZPJMESA-N 294.394 4.904 30 10 CJEE C=CC1(CC(=O)NC(C)(C)c2ccccc2)CCCCC1 1125506419 DBVIHJYYNBZHSJ-UHFFFAOYSA-N 285.431 4.565 30 10 CJEE C=CCCC(C)(C)CNC(=O)Nc1c(C)cccc1Cl 1203062675 VTNLDFCFXWEOJM-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cccc(C2CCC2)c1 1205742282 NRGQJOHOWOFKNF-UHFFFAOYSA-N 286.419 4.678 30 10 CJEE C=CC(C)(C)CN[C@@H]1CCC[C@H]1c1ccccc1Cl 1205838695 BWUOHWRUUXGWCU-GOEBONIOSA-N 277.839 4.778 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cc(OC)c3ccccc3c2)C1 1206599052 ZWMJKKWSJZHOAC-MRXNPFEDSA-N 295.426 4.637 30 10 CJEE CCCCCCCCCCCCOC1CC2(CNC2)C1 1217793284 UGPQTPPUCNAESR-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE C=CCCC[C@H](C)NC(=O)NCC1(CCC=C)CCCC1 1224913775 HRLFLFLEOUHULL-INIZCTEOSA-N 292.467 4.557 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CCCC[C@H]1CC 1248435224 MUHFQSPWKQEGDV-CVEARBPZSA-N 294.483 4.589 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@H](C)C(C)(C)C 1278999722 VYDFIJXOVKPBIY-QXSJWSMHSA-N 279.468 4.556 30 10 CJEE C#CCCCCCCN(C)[C@@H](C)c1ccc(C)cc1C 1307428123 MCJUFIQZTJVBCI-SFHVURJKSA-N 271.448 4.880 30 10 CJEE C=CCC1(CNC[C@H](C)CCc2ccccc2)CCCC1 1308403299 OGFXFPVVRHRXQK-GOSISDBHSA-N 285.475 4.981 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](CC)c2ccccc2F)C1 1308847435 CBIVACNMMURUKI-CPUCHLNUSA-N 261.384 4.611 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 1308929243 WUWDCSZUWBSUPZ-IXDOHACOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 1353398565 IRCMAIHXELQLCM-LJQANCHMSA-N 299.458 4.945 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CC(CC)(CC)c2ccccc21 1435630994 PRFUXJXWONCLBU-SFHVURJKSA-N 285.431 4.693 30 10 CJEE C=CCOCCN1CCCC[C@H]1c1ccc(C(C)C)cc1 1459891406 NGKAAYZWFYIVNT-IBGZPJMESA-N 287.447 4.540 30 10 CJEE C=C[C@@H](CC(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 1461449591 AIDKZZUQUPRHLW-MLHJIOFPSA-N 299.458 4.535 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@H](C)CC 1471015960 HTFHEGMBJZYBKV-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE C=C[C@H](C)Nc1ncnc2scc(-c3ccc(C)cc3)c12 1472729375 KZQJZCAAKUZAIF-LBPRGKRZSA-N 295.411 4.653 30 10 CJEE C=C(C)CN(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1473336257 SSXSMYBBTYWRAC-CVEARBPZSA-N 297.364 4.849 30 10 CJEE C=CCC1(NC(=O)CCCCc2ccccc2)CCCCC1 1544863083 RJWCWRWPJMTNON-UHFFFAOYSA-N 299.458 4.795 30 10 CJEE C=CC[C@@H](C)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 1559688879 XAULBNBSRRAOOH-CYBMUJFWSA-N 297.364 4.849 30 10 CJEE C=CCCCCCCNC/C(C)=C\c1ccccc1 1560467964 CADJIFACNXQGMO-ICFOKQHNSA-N 257.421 4.816 30 10 CJEE C=C(C)c1cccc(NC/C=C\c2ccccc2OC)c1 1560611906 PICPFLQIPKQNST-YFHOEESVSA-N 279.383 4.854 30 10 CJEE C[C@@H](c1cccc(C#N)c1)N1CCC(C)(C)c2ccccc21 1618273176 HGXZOXCQUFFDOB-HNNXBMFYSA-N 290.410 4.807 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc2ccn(C)c12 1621256852 XFKGEIRZRSBDCN-CQSZACIVSA-N 256.393 4.725 30 10 CJEE C#CCCCCCCN(CC)c1cccc(C)c1C 1644808050 HZBWWCUKWFXGPF-UHFFFAOYSA-N 257.421 4.713 30 10 CJEE C#Cc1ccc(CNc2nc3c(C)cc(C)cc3s2)cc1 1651869752 WQVLYUADLFCLTC-UHFFFAOYSA-N 292.407 4.507 30 10 CJEE C[C@H](CSCC1(C#N)CCCC1)c1ccccc1 1651963510 DOVMEPWDOYIGEP-CQSZACIVSA-N 259.418 4.607 30 10 CJEE C=C(CC)CN(CC(C)C)[C@H](C)c1ccccc1C 1653591184 CFZKXKHEJAVCFW-QGZVFWFLSA-N 259.437 4.980 30 10 CJEE C#CCCCCCCN[C@H](C)c1cccc(OC(F)F)c1 1653952249 AJFWKPMSIUKEKC-CQSZACIVSA-N 295.373 4.522 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(OC(C)C)c1 1654214924 DJXJCPLOUWMJGK-PKOBYXMFSA-N 287.447 4.698 30 10 CJEE C=C[C@H]1CCCCN1Cc1nc(-c2ccc(C)cc2)cs1 1654322994 BUPGVARWBUJCFT-INIZCTEOSA-N 298.455 4.659 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1cc(C)cc(C)c1 1656430231 QHXPROCVAPJZAO-FQEVSTJZSA-N 279.427 4.580 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC2(c3cccc(Cl)c3)CC2)C1 1656560611 QHLKYWKZSPQBNR-RHSMWYFYSA-N 289.850 4.706 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1coc(-c2ccccc2)n1 1657665795 VIMKOXQTTSPRLU-YJBOKZPZSA-N 296.414 4.566 30 10 CJEE C=C(C)c1cccc(NCc2ccc(F)c(F)c2F)c1 1658116035 VFZCFDVRXQXMFM-UHFFFAOYSA-N 277.289 4.749 30 10 CJEE C#C[C@@](C)(CC)NCc1ccc(C(C)C)cc1C(C)C 1658720682 VLGKXURFMRHMAQ-IBGZPJMESA-N 271.448 4.825 30 10 CJEE C=CCCc1ccccc1NCc1ccc(N(C)C)c(F)c1 1662294429 PTAVQFNKHZXBIO-UHFFFAOYSA-N 298.405 4.622 30 10 CJEE C=C[C@H]1CCCCN1C(=O)N[C@H](CCCCC)C(C)(C)C 1684428027 UVRQOXURDLVMJN-JKSUJKDBSA-N 294.483 4.732 30 10 CJEE C=CC[C@@](C)(NC[C@H]1CC[C@H](CC)CC1)C(F)(F)F 1878279115 BUNLIDHLJSPTEC-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE CC#CCCC[C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1 1879643579 ISTYBOIVWDMUSH-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE CC#CCCCC[C@H]1CCCC[C@H]1CNC(C)(C)C 1885236425 KGNCFOPWARBJOX-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CC#CCCCCC(=O)c1c(C)oc2ccccc12 1885369625 ZLJSYWUVBCPXRK-UHFFFAOYSA-N 254.329 4.508 30 10 CJEE C=C1CCC(C[C@@]2(O)CCSc3ccccc32)CC1 1886405575 UXIRXTZASCDYER-KRWDZBQOSA-N 274.429 4.507 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(F)ncc1F 1886701848 LXIJMJPKQLSGAM-CQSZACIVSA-N 270.367 4.500 30 10 CJEE CC[C@H](N=C1N[C@@]2(CCC[C@@H](C)C2)CS1)C1CCCC1 1911800887 OXTWGGCXQKGLKL-UKPHBRMFSA-N 294.508 4.597 30 10 CJEE CCCCCCCCC[C@H](NC)c1cn(CC)c(C)n1 1913119499 QVQLEQRKHVTBSF-INIZCTEOSA-N 279.472 4.613 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(F)cc(Cl)c2)CC1 1918490367 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4.534 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1ccc(F)c(F)c1 2240610828 FEJRDTXIVZZTJT-KRWDZBQOSA-N 283.406 4.975 30 10 CJEE C=CCCc1cc(Br)cc(C(C)C)c1 2241402117 QDLWJTPSOZPQOS-UHFFFAOYSA-N 253.183 4.691 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C)CC2)C1 2247565649 VWLDSPUJULPOIF-HZSPNIEDSA-N 251.439 4.628 30 10 CJEE CC(C)(C)C#CC=CCCc1ccc(Br)cc1 2248471374 SCXNUNLDKHGOEC-UHFFFAOYSA-N 291.232 4.987 30 10 CJEE C=C(C)CCCCOc1ccc(Br)cc1OC 2250181513 NXOZDLLWRWQHSK-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@]1(C=O)CCCC(C)(C)C1 2254581085 FYUMALFCSPJMIE-VYDXJSESSA-N 250.426 4.988 30 10 CJEE C=C(C)CCCC[C@]1(N)C[C@@H](C)CC[C@H]1C(C)C 2259186346 BYLWVIZAHKYGIW-ULQDDVLXSA-N 251.458 4.913 30 10 CJEE CCCCCCCCC(=O)CCCCCCOC 2259317760 GCVQUWGXBAFJBO-UHFFFAOYSA-N 256.430 4.903 30 10 CJEE N#CCCCCCSC1CC2(C1)CC1(CCC1)C2 2260959812 WLJPGQAAVMWSJH-UHFFFAOYSA-N 263.450 4.916 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CC(CC(C)(C)C)C1 2261197740 MQMGDGPSTRBKMT-YMAMQOFZSA-N 271.876 4.960 30 10 CJEE C[C@H](C1CCCCC1)N(C)CCCCCCCS 2263211664 XKOUHCYQDHCQNT-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE O=CC1(CC2CC3(CCCC3)C2)C[C@@H]2CC[C@H](C1)S2 2265197401 FKZCOJOXFJUGPG-FKEKPDDDSA-N 278.461 4.590 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC1CC2(CCCC2)C1 2265227334 OWNOQAZNAVZCIA-SJORKVTESA-N 261.453 4.681 30 10 CJEE CC1CC(CSc2ccc(C#N)c3ccccc23)C1 2268470658 NLLGJZGZLAVXKB-UHFFFAOYSA-N 267.397 4.850 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C[C@@H]1CC[C@@H](C)C1 2268675966 QSQPKDCKODSEHX-MDZRGWNJSA-N 285.497 4.996 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc2sccc2s1 2268764645 CFBHGQVDRPRNII-LBPRGKRZSA-N 289.469 4.958 30 10 CJEE C=CCCCCCCCC=C1C[C@H]2CC[C@H]1C[C@@H]2N 2269476528 AVABSAJJYBIROQ-KSZLIROESA-N 261.453 4.977 30 10 CJEE C=CCCCSC[C@H](NCCC)c1cccc(F)c1 2271494910 KBJNOCYLSRBRTI-INIZCTEOSA-N 281.440 4.566 30 10 CJEE C=CCCS[C@H](C)[C@@H](NCC)c1ccc(CC)cc1 2271587247 UUIMPMZXFZBTPJ-RHSMWYFYSA-N 277.477 4.597 30 10 CJEE CCCCCCCCSc1ccccc1C(=O)OC 2271681491 WBALVWWJCODXDC-UHFFFAOYSA-N 280.433 4.926 30 10 CJEE 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CCCCCCCCCC[C@](C)(OCCN)[C@@H]1C[C@H]1C 2294537426 BXEMHEOGGSFNBE-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](CC1CC=CC1)OCCCN 2294537747 FTTGKWJIQOXEIO-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(NCCC)C1CC1 2295710671 IRYVJIFLNMFMPV-RDJZCZTQSA-N 296.524 4.608 30 10 CJEE CC(C)(C#N)CCCSCC=Cc1ccccc1 2300398365 LNUGFCQCOVSLFP-UHFFFAOYSA-N 259.418 4.763 30 10 CJEE C=CCC(CC=C)C[C@@H](O)c1ccccc1Cl 2301049860 CTCXRLAEJLIORK-OAHLLOKOSA-N 250.769 4.532 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2301231230 WQVSRKZMIBVDLL-YMTOWFKASA-N 273.203 4.938 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC(C)(C)CC[C@@H]1NCCC 2313532824 ZKUHOKQSVJXCMC-SOUVJXGZSA-N 269.498 4.631 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C)c(F)c1Cl 2319295967 JETDFUPJCILNGQ-CYBMUJFWSA-N 269.791 4.794 30 10 CJEE CC=C(CC)C(=O)CCCCC(F)(F)C(F)(F)F 2319556618 ZWJZSWNUPFVWBX-UHFFFAOYSA-N 272.257 4.670 30 10 CJEE C=CCC(C)(C)[C@H](N)C[C@]1(C)CCCCC1(F)F 2321106180 WNJBIAWYFPQURR-OCCSQVGLSA-N 259.384 4.522 30 10 CJEE CCC(CC)CCN(C)C[C@@](C)(CS)C(C)(C)C 2327165760 MJMJCYCSVXMFJX-INIZCTEOSA-N 273.530 4.727 30 10 CJEE C#CC[C@@H](C)C[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2327988578 SCEGHFSSDKGGRD-BMIGLBTASA-N 285.214 4.559 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc(C(C)C)c1 2328519041 NBGMTYNCPHFDTI-CQSZACIVSA-N 266.450 4.781 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc(C(C)C)cc1 2335103094 HCPOLNGVQAVNIP-RHSMWYFYSA-N 277.477 4.768 30 10 CJEE C=CC[C@H](C)S[C@@H]1[C@H](NCCC)C[C@@H]2CCCC[C@H]21 2335195588 YCYADQBNOXUIJJ-SIRPWMCASA-N 281.509 4.631 30 10 CJEE C=C1CCC(C[C@@H](O)c2c(F)ccc(C)c2Cl)CC1 2335405569 CZXNFQJAKSAHOT-CQSZACIVSA-N 282.786 4.957 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC[C@H]1CC[C@H](CCC)CC1 2337154757 GLHMMZDLYAHQSZ-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CC[C@H](CNC1CC1)Cc1ccc(Cl)c(Cl)c1C 2338705673 PTBMSNMNSPYGBG-LBPRGKRZSA-N 298.257 4.789 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@](C)(F)C(C)(C)F 2338740567 GPKOQFBWNGHOOZ-GOEBONIOSA-N 273.411 4.599 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@@H]1CC(C)C 2338741509 OAWJCMJIFFCULK-KSZLIROESA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1CC[C@@H]2C[C@@H]2C1 2338742386 VXSFTCZRBIKKLL-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1[C@H]2CCCCC[C@H]21 2338748551 YVHJPTFVSYLYEU-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE C=C1C[C@H]2CC(NCCCC[C@@H]3C[C@H]3C)C[C@@H](C1)C2 2341524425 ZGEOVMHGUTVFHA-IHAUNJBESA-N 261.453 4.537 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CC(F)(F)C12CCC2)NCCC 2341922082 IRQZYPDDMGIIDF-ZIAGYGMSSA-N 271.395 4.536 30 10 CJEE C=CCCCCCCn1nc(C(F)F)cc1C(F)F 2342528005 JXQTYFKJWHIYLV-UHFFFAOYSA-N 278.293 4.895 30 10 CJEE CC(C)c1cccc(COC[C@H](CS)C2CCC2)c1 2343784057 ORWDPWHSOCYBAZ-QGZVFWFLSA-N 278.461 4.673 30 10 CJEE C=CC[C@H](C)[C@H](C[C@H]1CC2CCC1CC2)NCCC 2344339800 MFYZVMCHABFIAL-QUFRXWBVSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)c(Cl)cc1OC 2344344385 RZIOCYJTKIGLEZ-HZPDHXFCSA-N 281.827 4.649 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(OC)c1Cl 2344348456 KTKQTTKUJLLNMB-JKSUJKDBSA-N 281.827 4.602 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(CC2CC2)c1 2344376925 BUZODZKQMVUFNN-KSSFIOAISA-N 257.421 4.502 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(F)cc(F)c1 2344379291 XIWOTJUSZIQMFB-JKSUJKDBSA-N 267.363 4.608 30 10 CJEE CC1(C)CC(CS)(COC[C@@H]2CC[C@@H]2C(C)(C)C)C1 2344976645 GWSNYNKGYBKZDR-KBPBESRZSA-N 284.509 4.812 30 10 CJEE CC(C)=CCC[C@H](C)CCOC[C@@]1(CS)CC1(F)F 2351886713 CXODEDPUPRIODP-UONOGXRCSA-N 292.435 4.731 30 10 CJEE C=CCCCCC[C@H](NC)c1ccnc(C(C)C)c1 2353593500 MKIFOKFMBOEFRT-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CC(C)C[C@@H](CS)CN(C)C[C@@H]1CCCC(C)(C)C1 2353835428 MMGVFHGBDPMZCC-HZPDHXFCSA-N 285.541 4.727 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)C[C@@H]1CCC[C@H]1C 2354025482 APNBSNLGGIEITR-XMTFNYHQSA-N 283.500 4.642 30 10 CJEE O=C[C@@]1(C[C@@H]2C[C@H]2c2ccccc2)CCCC(F)(F)C1 2357777395 UXUPBEWUTJZPAB-HRCADAONSA-N 278.342 4.575 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)cc1C[C@@H](N)CC 2360208445 OXGCGPIFLFNMMA-HNNXBMFYSA-N 293.451 4.718 30 10 CJEE C=C1CCC(CC(=O)c2cc(C)c(OC)c(Cl)c2)CC1 2360215890 AUZLSGMCEMHLSC-UHFFFAOYSA-N 292.806 4.976 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)[C@@H](C)CC1CCC1 2360323645 JQQAADDUIJRCKM-MAUKXSAKSA-N 282.468 4.883 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C(=O)O 2360342456 FMKWHFMPXDMANV-ZQDZILKHSA-N 298.492 4.990 30 10 CJEE CN(Cc1ccsc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 35719181 WWUNPOHMYYNODD-BZUAXINKSA-N 290.476 4.534 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1nc2ccccc2s1 37153988 HTHXGRQHYFQARJ-DGCLKSJQSA-N 288.441 4.861 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 37256606 VHRMVJFLKNGKIV-JQWIXIFHSA-N 282.309 4.568 30 10 CJEE N#Cc1cc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1Cl 37282073 CUYYOHHXVRLOCX-NFAWXSAZSA-N 288.822 4.982 30 10 CJEE N#CC[C@H](Nc1ccc(F)cc1Cl)c1ccccc1 55016244 IAIQLHKSFDFURZ-AWEZNQCLSA-N 274.726 4.546 30 10 CJEE CC[C@H](N[C@@H](CC#N)c1ccccc1)C1CCCCC1 55019237 IDTQQCKRZIZAEG-ROUUACIJSA-N 270.420 4.590 30 10 CJEE COc1ccc(C)cc1[C@@H](C#N)Cc1ccccc1Cl 57724248 TYIIQSLUHNSLJC-CQSZACIVSA-N 285.774 4.507 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(Cl)cc1 59526059 RUSNLSCZJUZNCJ-CYBMUJFWSA-N 282.811 4.898 30 10 CJEE C=CC[C@@H](SCCN1CCCCCC1)c1ccccc1 72264425 OVAQRPBERYNAMI-GOSISDBHSA-N 289.488 4.913 30 10 CJEE CC(C)c1nc(Cc2cccc(Cl)c2)sc1CS 82429765 GMOXFZIJDOENNM-UHFFFAOYSA-N 297.876 4.941 30 10 CJEE CC1(C)CCC(C#N)([C@](C)(O)c2ccc(Cl)cc2)CC1 91877674 YHSGJFHFPDVEKQ-MRXNPFEDSA-N 291.822 4.658 30 10 CJEE CCC[C@@H](C)[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884876 HZIGZRGZTLVGGT-HCEZTOJASA-N 265.441 4.530 30 10 CJEE Cc1cccc(C)c1OCC1(CS)CCCCC1 94582439 YQXJXZQGHZPEFY-UHFFFAOYSA-N 264.434 4.563 30 10 CJEE C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 100036383 FAEWLOPIQSPBBJ-SVXRXWARSA-N 294.181 4.879 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H]1CCCO1 114994527 QBOHUICNSYLNGC-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](CC)OC 124449077 VKYWCHIARGFKBW-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc(C(F)F)c1 131939447 AZHIAIZCUYAOOK-CQSZACIVSA-N 292.716 4.954 30 10 CJEE CCCCCCCCC[C@@H](N)c1snnc1C(C)(C)C 139412020 HRBCUHAQFKOAHE-CYBMUJFWSA-N 297.512 4.976 30 10 CJEE CCCCCCC[C@@H](COc1ccc(Cl)cc1)NC 139656143 YMXKYJZOVYGXTR-HNNXBMFYSA-N 283.843 4.667 30 10 CJEE CCCCCCCC[C@H](NCC)c1cc(C)nn1CC 140435211 RCEZONLMVXRPJI-INIZCTEOSA-N 279.472 4.613 30 10 CJEE CC(C)C1CCC(O)(C2(C#N)CCCCCCC2)CC1 156794555 ABDLUKVRGMECQS-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(CC)OCC 160613255 GDRVAGWWXNXJIK-MRXNPFEDSA-N 256.430 4.901 30 10 CJEE N#Cc1ccc(NCc2cc(F)cc(Cl)c2)cc1Cl 160830848 RDOYXUTXVXEXHY-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Cl)ccc1F 163000949 OTQAJPLSSPJMSG-CQSZACIVSA-N 258.764 4.873 30 10 CJEE N#C[C@H](SC1CCCCC1)C1CCCCCC1 167873393 AWNVSERHLOIWNP-HNNXBMFYSA-N 251.439 4.915 30 10 CJEE CCCCCCCCCCCOCCNCC(C)C 168767887 YCFGOTSTTHXXGR-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccc(CC)s1 168840939 KDOFRQVVVJKDMW-AWEZNQCLSA-N 268.466 4.965 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 211888157 UZBZCHXFLZSIMX-HNNXBMFYSA-N 277.795 4.733 30 10 CJEE CCCC[C@H](CCC)N[C@@H](C)c1ccc(C#N)cc1 225973167 VGCOEGOAODJWDS-YOEHRIQHSA-N 258.409 4.568 30 10 CJEE CCSc1cccc(NC[C@H]2CCC[C@@H]2C)c1C#N 230683941 FUEVHVCGQOXDIP-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE CCCCCCCCN[C@H]1CCC[C@H](SC)C1 232939222 WODKKFXWYZVODT-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCN[C@H]1CC[C@@H](SC)C1 232950383 MIRGXRYICGMKEF-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccnc(C)c1 232963530 OYDNGJWRCYQBEF-KRWDZBQOSA-N 262.441 4.921 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCCCCC2)cc1Cl 235902493 CUGASDHAEXRTEQ-OAHLLOKOSA-N 277.795 4.546 30 10 CJEE C=CCCCCC[C@@H](C(=O)O)c1ccccc1Cl 236456078 SUSNIGZACODROD-CYBMUJFWSA-N 266.768 4.645 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)[C@H]1C[C@H](C)CC[C@@H]1C#N 252219284 ZYOHZYVDPPVYFP-CXUGXGMPSA-N 290.838 4.661 30 10 CJEE CC(=O)/C=C\c1c(-c2ccccc2)cc2cccc(C)n12 252479685 BJYAKSWFIMSQAQ-QXMHVHEDSA-N 275.351 4.517 30 10 CJEE N#Cc1cccc(/C=C(/Cl)c2nc3cc(F)ccc3o2)c1 255139397 SXTKYNWGVGBGBV-NTUHNPAUSA-N 298.704 4.575 30 10 CJEE CC(C)c1cncc2cc(C(C)(C)CC#N)ccc12 260607588 LHACEJQYEWILQN-UHFFFAOYSA-N 252.361 4.549 30 10 CJEE CSc1cc(C2(C#N)CCC2)cc(SC)c1SC 260831616 XWPSAJHRLXLPJL-UHFFFAOYSA-N 295.498 4.798 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(C#N)c(F)c1 307927518 OJCBECAJBSYKJD-VMGRFDJRSA-N 274.383 4.570 30 10 CJEE CCCCCCC[C@H](O)Cc1ccccc1C(F)(F)F 312263396 OWIKYYPRPXXZOP-AWEZNQCLSA-N 288.353 4.969 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)cc(OC)c1 312416729 OLONWNSNSRRXLQ-MRXNPFEDSA-N 268.372 4.618 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccsc1Cl 312574568 DMKNXLIVPPWUGB-LLVKDONJSA-N 283.183 4.732 30 10 CJEE N#C[C@H](Nc1cccc(Cl)c1)c1ccsc1Cl 312587816 SSGOXPBEIBLAIM-NSHDSACASA-N 283.183 4.732 30 10 CJEE C=C(CN[C@H]1CCCC12CCCCC2)c1ccccc1 312964421 ALJANNZZVAYUJT-SFHVURJKSA-N 269.432 4.792 30 10 CJEE CC(C)CCCCC[C@]1(C=O)CCc2ccccc21 317430803 PKIPPKGUBWNDDB-GOSISDBHSA-N 258.405 4.676 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCCCCCC1 321850442 KTJQRYROYPLQIE-SFHVURJKSA-N 282.516 4.721 30 10 CJEE CCCCCCCCOCc1coc(Br)c1 378942638 JGPPCIWBMJZCTL-UHFFFAOYSA-N 289.213 4.919 30 10 CJEE N#C[C@@]1(C[C@H]2CCC(F)(F)C2)CCCc2ccccc21 379437912 YWFMNJSWNLGKPH-CJNGLKHVSA-N 275.342 4.610 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H]2CCCCC23CCCC3)N1 380515811 HMORIQDCLUYWKE-GOEBONIOSA-N 294.508 4.741 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCCCC2(F)F)C1 382047117 FFEKWOPJLAZZBC-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1 385073785 VXOZLEVQTKUEBT-WKPIXPDZSA-N 298.213 4.747 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@@H](OC)C1CC1 388271074 FYIFBHZYQWYKKR-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCN[C@H](C)C(C)(C)O 393990929 SAFYCCFYAOZGSR-MRXNPFEDSA-N 271.489 4.656 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@](C)(CC)C1 399430766 YPGVQNSPVKHFGA-HNNXBMFYSA-N 271.514 4.625 30 10 CJEE C[C@@H](n1nc(-c2ccccc2)c(C#N)c1Cl)C(C)(C)C 400060097 HONHJPBNVAZBEO-LLVKDONJSA-N 287.794 4.682 30 10 CJEE CCCCCCCCCCCC(=O)C[C@H]1CCOC1 400889270 ZILYNOXVVJEGNH-MRXNPFEDSA-N 268.441 4.903 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@@](C)(O)c2c(Cl)cccc2Cl)C1 400929822 WEKSLKQWNKTZLP-ONERCXAPSA-N 298.213 4.531 30 10 CJEE CCCCCCC[C@H](CCCSC)NCCC 401616106 NQRCRTSNGVDDNY-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCCC(=O)[C@@H](C)OCc1ccccc1 404512051 PSVOYPRXIWPGNO-MRXNPFEDSA-N 276.420 4.911 30 10 CJEE C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC(C)(C#N)CC1 541881016 VVHRTFUZNWTTNL-HNNXBMFYSA-N 284.447 4.671 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)C[C@@H](C)O[C@@H]1C 686455224 KWAPMAHYOHCIFS-BRWVUGGUSA-N 269.473 4.529 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)cc(OC)c1C 686606639 BFLRLFDYGWQVGR-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1sccc1F 686703680 LEFJCDJQIUWNSJ-CQSZACIVSA-N 267.413 4.512 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H](C)CC(F)F 687860079 UCSDCNRFYKAPHX-QWHCGFSZSA-N 250.373 4.779 30 10 CJEE Cc1cccc(C#N)c1NC1CCC(C2CCC2)CC1 695826834 WLRNELLLVNWSPS-UHFFFAOYSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1O 698741783 UXWMZUPSALOTAY-BBWFWOEESA-N 270.457 4.551 30 10 CJEE CCCCCCCNCc1cccc(C(F)F)c1 705926137 FOMVGWJKSILJLK-UHFFFAOYSA-N 255.352 4.684 30 10 CJEE C[C@@H](Cn1ccc2c(C#N)cccc21)CC(C)(C)C 709266884 XCYVLNGIDFPPEI-CYBMUJFWSA-N 254.377 4.585 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)C1CCCCC1 709343312 KHDRVIRGXXPQOV-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN(CCO)c1ccccc1 714432533 NNROBARAFMJGFF-UHFFFAOYSA-N 277.452 4.626 30 10 CJEE C=CC[C@H](C)[C@@]1(CNCC(C)C)CC[C@H](CC)C1 715794714 CEANTQRLWODZMF-ULQDDVLXSA-N 251.458 4.641 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc2ccc(F)cc2s1 715816675 YBEVEKPBILCWQG-BZNIZROVSA-N 277.408 4.903 30 10 CJEE CC[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(C)cc1 718563768 GMISDGVPCAXKPH-KRWDZBQOSA-N 268.335 4.569 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCCC(C)(C)[C@@H]1NCC 719290774 TYOZQNKXBNRFMA-JKSUJKDBSA-N 281.484 4.552 30 10 CJEE N#CCc1ccc2sc(Cl)cc2c1C(F)(F)F 725286598 HPEFVPVZIVUOEG-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE N#Cc1ccc(OC(F)(F)F)c2c(C(F)F)csc12 725291444 QBOPMLMGNUWEHB-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE CCCCCCCCOc1nccc2ccc(N)cc12 822177869 UCILKZLGKVNPHO-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE C=CCCc1ccccc1NC(=O)CC(C1CC1)C1CC1 1116929799 ZKTSMXIYBLGCTE-UHFFFAOYSA-N 283.415 4.570 30 10 CJEE C=CCCC(C)(C)CNCc1cc2c(C)cccc2[nH]1 1179324863 HJDVNXCTIXFPAN-UHFFFAOYSA-N 270.420 4.558 30 10 CJEE C=CCC[C@H](CCC)NC[C@H]1C[C@@H]1Cc1ccccc1 1184336490 ACHUZLQAWDTLDQ-OTWHNJEPSA-N 271.448 4.590 30 10 CJEE C=C[C@@H](CC(=O)N1CCC[C@@H](C(C)C)CC1)c1ccccc1 1265230158 WTMWDQYFRVAIJQ-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE C=CCC(CC=C)C(=O)N1CC2(CCCC2)c2ccccc21 1265742966 XJYWWUHALLWDEJ-UHFFFAOYSA-N 295.426 4.613 30 10 CJEE Cc1ccc(C[C@H](C#N)SCc2ccc(C)c(C)c2)cc1 1307318999 AGWNKPBUDYUPIB-LJQANCHMSA-N 295.451 4.980 30 10 CJEE C=C(C)CCN[C@@H](C)c1cccc(SC(F)(F)F)c1 1308090349 VHUMMAYLLKAOGD-NSHDSACASA-N 289.366 4.915 30 10 CJEE C#Cc1ccc(CNCc2cccc(C3CCCC3)c2)cc1 1308411434 PRXPSEHNJCXZMK-UHFFFAOYSA-N 289.422 4.615 30 10 CJEE C=CCOc1cccc(CN[C@H]2CCC[C@H]2C(C)(C)C)c1 1308433372 KGEHFDQZUNUYQE-MSOLQXFVSA-N 287.447 4.556 30 10 CJEE C#Cc1ccc(CN(C(C)C)[C@H](C)c2ccsc2)cc1 1308822407 CSPIQEPNEPFXKK-OAHLLOKOSA-N 283.440 4.701 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)CCc1ccccc1 1308875723 HCABZVWWQKTZLG-KRWDZBQOSA-N 259.437 4.590 30 10 CJEE C=CCCC[C@@H](C)NC(=O)CCC(C)(C)c1ccccc1 1458272441 IFLBOQYDPHAYJA-MRXNPFEDSA-N 287.447 4.605 30 10 CJEE CCCCCCCCN(C)Cc1ccccc1F 1459318352 QJTGOEUAVPDGGV-UHFFFAOYSA-N 251.389 4.618 30 10 CJEE C=CCCCCN[C@H](C)c1cccc(OC(F)(F)F)c1 1460748860 ZQWZHKLWNXDGJL-GFCCVEGCSA-N 287.325 4.592 30 10 CJEE C#Cc1ccc(NCc2cc(F)cc(Cl)c2)c(Cl)c1 1461793251 INUBTZRGVLLVLX-UHFFFAOYSA-N 294.156 4.726 30 10 CJEE C=CC(C)(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 1523867179 ALIXZLAHDWNMOP-BCDXTJNWSA-N 297.442 4.526 30 10 CJEE C=CCN(C(=O)CC1CCCCCC1)c1ccccc1 1524508608 JNJKWPXCBPUGOF-UHFFFAOYSA-N 271.404 4.566 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(C(F)F)cc1 1563316359 BKLXFYQVSUPSHQ-UHFFFAOYSA-N 296.361 4.882 30 10 CJEE C=CCC1(C(=O)Nc2ccc3c(c2)CCCCC3)CCC1 1616403875 VQYLVTDOSQEFJA-UHFFFAOYSA-N 283.415 4.640 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(OC(F)(F)F)c(C#N)c1 1621284695 BQIWSEZSHHZSLY-LBPRGKRZSA-N 298.308 4.614 30 10 CJEE C=C(CC)CN[C@H](c1ccc(CCC)cc1)C(C)C 1642363489 QHWVEORENZWFBI-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2cccc3ccccc23)C1 1649204942 PZQPDYQUZMTARK-QFBILLFUSA-N 279.427 4.717 30 10 CJEE C#C[C@@H](N[C@H](C)CC12CC3CC(CC(C3)C1)C2)C(C)(C)C 1652577380 WJHOYDQQPLQAAC-MVJVIOSPSA-N 287.491 4.619 30 10 CJEE C=CCCN(Cc1ccccc1F)C1CCCCC1 1652938316 RLKNMXUTCZGYGG-UHFFFAOYSA-N 261.384 4.537 30 10 CJEE C=CCN(Cc1c(OC(C)C)ccc2ccccc12)C1CC1 1653872017 XAIRVAWEHQXVGS-UHFFFAOYSA-N 295.426 4.777 30 10 CJEE C=CCCCCCN(CC)c1ccc(OCC)cc1 1657727958 BNKIJXRJAXTHSP-UHFFFAOYSA-N 261.409 4.658 30 10 CJEE C=CC[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 1659619640 BINRTNXDQBJNAD-LLVKDONJSA-N 289.366 4.555 30 10 CJEE CCCCCCCCCN(C)C(=O)OC(C)(C)C 1659689036 WOHMHIAAJQZVSD-UHFFFAOYSA-N 257.418 4.604 30 10 CJEE C=CCCCCCN(C)Cc1cc(Cl)ccc1OCC 1663888860 LCOSHEATEWQRFF-UHFFFAOYSA-N 295.854 4.917 30 10 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CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccnc(C)c2)C1 2090169869 WTHFLWATKNDDPU-IIAWOOMASA-N 274.433 4.591 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@@H](C1)C2(F)F 2090805981 LUOPNXAPQBFEAW-TUVASFSCSA-N 274.395 4.779 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCCC(C)C 2091415325 YBJSFEJENUWKGV-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE CCCCCCC[C@H](NC)[C@H]1CCC[C@H]1C(F)(F)F 2092589400 GSDFSCINAKJRBT-MJBXVCDLSA-N 279.390 4.914 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)C1(C)CCCC1 2093464955 HXWGQDQRZWVTES-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCCC12CCC2 2097113282 SAEOIPYLZDWYJN-IKGGRYGDSA-N 261.453 4.824 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cc[nH]n1 2097812261 PMNNVFCSUQXPON-OAHLLOKOSA-N 265.445 4.721 30 10 CJEE CCCCCCCCO[C@@H]1CCC(C)(C)[C@H](NC)C1 2099194752 HPAZNIMRQUBCAH-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CC(C)[C@H]1SC(=N[C@@H](C)c2cccc(Cl)c2)N[C@@H]1C 2103000088 AZVWSPSQAPFSSL-MISXGVKJSA-N 296.867 4.507 30 10 CJEE CCCCCCCCN[C@H]1CCCO[C@@H]1C(C)(C)C 2103984877 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C=C1CCC(CNCC2(C)CCC3(CC2)CC3)CC1 2120077539 KYSWBJOXTVSTID-UHFFFAOYSA-N 261.453 4.683 30 10 CJEE Cc1cccc(Nc2cc(Cl)c(C#N)cc2F)c1F 2120887980 FAXXALNMVZJMTQ-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE Cc1oc2ccccc2c1C(=O)C1=CC[C@@H](C)CC1 2124847159 LKRIITJHQFZVSY-LLVKDONJSA-N 254.329 4.670 30 10 CJEE C=CC[C@](C)(Nc1ccc(Cl)cc1C#N)C(F)(F)F 2125762890 CZWJDDDWJQFFOF-LBPRGKRZSA-N 288.700 4.521 30 10 CJEE CC1(C)CCC[C@](C=O)(C[C@H]2C[C@@H]3CCC[C@@H]3C2)C1 2126993872 IXZUZDYLXZMOKK-CUSZFKRNSA-N 262.437 4.988 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2127016164 XOAWSPXDCGNIFA-DFGXFYAUSA-N 263.469 4.783 30 10 CJEE C=CCCCCC1(CNC2CC2)CCC(F)(F)CC1 2128474042 IUEDFZGUSVVXFE-UHFFFAOYSA-N 271.395 4.681 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H](C)CC(C)(C)C 2130927492 VPVMFTIGLUFOJP-HZPDHXFCSA-N 281.560 4.698 30 10 CJEE CC1(C)CC[C@@]1(C=O)C[C@@H]1CC12CCC(F)(F)CC2 2131992297 NWWUJZRBRQVWIH-WFASDCNBSA-N 270.363 4.597 30 10 CJEE CCCCCCCCC[C@@]1(O)CS[C@H](C(F)(F)F)C1 2132690758 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10 CJEE C=CCCCCC[C@@]1(OCCN)CCC(C)(C)C[C@@H]1C 2292884257 DYBNEYQUGLKMQR-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2cc(C)sc2C)CC1 2292910250 VYBKBZSASXKPRG-QGZVFWFLSA-N 293.476 4.518 30 10 CJEE CCCCCCCCC[C@@H](OCCN)c1nc(C)cs1 2293054829 QHJFPPPTWKULMY-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@H]1CCC[C@@H](CC)C1 2293283036 IYFPCYUXDXXQTE-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CC(C)(C)CC[C@@H]1C 2293364516 UISPUBULQSDYCS-KSSFIOAISA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(C[C@@H](C)C(F)F)OCCCN 2293688703 RQYUJYJABKYNSM-GDBMZVCRSA-N 293.442 4.762 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1C[C@@H]1C)OCCN 2293759804 QXMIKFYAPZJFDF-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=C1CCC(C[C@H](CCCCCCC)OCCN)CC1 2294090916 BPUYVSJFARVKET-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@](OCCN)(C(F)F)C1CCC1 2294592878 XWTXSQMETTWPLC-INIZCTEOSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nnc(C(C)C)s1 2295578399 HRMBWNTWZIYNTO-MRXNPFEDSA-N 297.512 4.976 30 10 CJEE CCCCCCC[C@@H](CC1(C)CC(F)(F)C1)OCCN 2295629201 BAROITLARDDEJA-AWEZNQCLSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1C[C@@]12CCCOC2 2295675746 FDYUWCGXJAXQNP-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE C=CC1(CN[C@H](c2ccccc2)C2CCCC2)CCC1 2295722155 JDCSCOYHXWLLTE-GOSISDBHSA-N 269.432 4.864 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@](C#N)(CC)NCC 2295762982 CWPDRPCCKZYEFM-SJORKVTESA-N 298.540 4.998 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1c(Cl)cc(F)cc1Cl 2302209137 FFXPAAIGJKRSBU-SDBXPKJASA-N 276.182 4.735 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)ccc1Cl 2304050487 YOADZAVEUSWMOE-UONOGXRCSA-N 272.219 4.986 30 10 CJEE C=CCC(C)(C)C(=O)Cc1ccc(Cl)c(Cl)c1 2304083228 DADUJBONUWSEJV-UHFFFAOYSA-N 271.187 4.707 30 10 CJEE C=C(CC)C[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2306238043 OCWIOMMSZLRTJK-CYBMUJFWSA-N 276.182 4.749 30 10 CJEE CC(C)CC1CC(C#N)(c2ccc(Br)cc2)C1 2308066893 LUTQLLYLODNBFG-UHFFFAOYSA-N 292.220 4.667 30 10 CJEE C=C(CC)C[C@H](NCC)c1c(F)ccc(C)c1Cl 2313999978 UYUYNPQJINTSMT-ZDUSSCGKSA-N 269.791 4.794 30 10 CJEE CC1(C)CC=C[C@@H](OCC2(CS)CCCCC2)C1 2317817378 PFLYJHKYHVYKAO-CQSZACIVSA-N 268.466 4.628 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCC(CCC)CC1)NC 2321115354 DZBRARXPUBLWDX-ZGRYLRDCSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Cl)cc1 2321130412 IYTTYCRIYNDTHI-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@@H]1CCCC[C@@H]1C 2321135112 SMRXOBDICZDKAO-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CCC(C)(C)C(F)(F)F)NCC 2321146626 ACSNDYNRLVUXGU-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(Cl)c1 2321226346 WGHMLPOUSHEMRP-LSDHHAIUSA-N 287.230 4.889 30 10 CJEE C=CCCCS[C@@](C)(CCCCCCC)C(=O)O 2327038822 HGPDILDCXOEVQI-HNNXBMFYSA-N 272.454 4.890 30 10 CJEE Cc1ccc(OC[C@](C)(CS)C(C)(C)C)cc1C 2327165721 MAMMJQCHBVSCBZ-MRXNPFEDSA-N 266.450 4.664 30 10 CJEE C=C[C@H](C)C[C@@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2327367815 LXKCYBHRBUOZFU-TVQRCGJNSA-N 290.209 4.995 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330164404 YGWQKPMVIDYIQO-XQLPTFJDSA-N 274.395 4.779 30 10 CJEE C[C@H]1C[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)CCS1 2332784302 PVRKZWBZFKSAQH-QSPRXWTASA-N 280.477 4.694 30 10 CJEE CCCCCC#CC[C@@H](NCC)[C@@H]1C[C@H]1CC(C)C 2333171160 XFGDAYQVRFCPKR-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)c2ccccc21 2337107701 WHNSWBXQZIEUAJ-KJWYOANISA-N 255.405 4.569 30 10 CJEE C=CCCCCCCCSCCC[C@H]1C[C@@H]1C(=O)O 2337460913 LRXFAOLDWHONAM-GJZGRUSLSA-N 284.465 4.747 30 10 CJEE CC[C@H]1CC=C(C(=O)c2ccncc2C(C)C)CC1 2338548700 MEMVYAOVUGYJQB-ZDUSSCGKSA-N 257.377 4.524 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCCCC[C@@H]1C(C)C 2339906815 AKBUGZDRWHONPR-SJLPKXTDSA-N 255.405 4.685 30 10 CJEE CCCCC#CC[C@@H](N)c1cccc(C2CCC2)c1 2343780386 DFLJJAHSHSAYPT-GOSISDBHSA-N 255.405 4.538 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(C2CCC2)c1 2343803483 VKUULPDHXRQRNF-OAHLLOKOSA-N 257.421 4.789 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(F)cc1 2344357107 PFPIIERGYWVNRZ-SJORKVTESA-N 263.400 4.859 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1c(C)cc(C)cc1F 2344378829 MPXSXMNYOBMYJN-INIZCTEOSA-N 263.400 4.695 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]12CCC[C@H]1CC2)NCCC 2344395297 IQXNXXYIOYYEKY-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)CC1CC2(C1)CC(C)(C)C2 2344463128 PKRNKJHJAZDDAW-NVXWUHKLSA-N 264.453 4.946 30 10 CJEE CC1(C)CC[C@H](CCNc2cc(C#N)ccc2Cl)C1 2344856680 OLYSVJXKQHKCOA-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C[C@H](Cc1ccsc1)N(C)C[C@@](C)(CS)C(C)(C)C 2352169464 RSBKJYBKTKHBLD-CJNGLKHVSA-N 299.549 4.593 30 10 CJEE CCN[C@H](C#CC1CCC1)c1c(Cl)cc(C)cc1Cl 2353058648 JGJSZPQDXBWHBE-OAHLLOKOSA-N 296.241 4.756 30 10 CJEE CCC[C@@H](CC)C[C@]1(C=O)CCOC12CCCCC2 2353449835 JKRVLALHGZVFGY-CVEARBPZSA-N 266.425 4.511 30 10 CJEE C=CC[C@H](C)SCC[C@@H]1CCCC[C@@]1(C#N)NCCC 2360334135 QFNGASMOZJOOOX-ULQDDVLXSA-N 294.508 4.526 30 10 CJEE N#Cc1ccc(Nc2ccnc3ccc(Cl)cc23)cc1 32604922 FYZSNOOLTDJGIB-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCC1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 35256441 VJRRBXNTHYIHBV-SYJJWHGVSA-N 270.420 4.568 30 10 CJEE CC(C)c1ccc(CNc2cc(Cl)ccc2C#N)cc1 36954315 AAVPNUMKRMRXOC-UHFFFAOYSA-N 284.790 4.947 30 10 CJEE N#CC1(Nc2cccc(Cl)c2)CCCCCCC1 37937322 XQBXHNOZPKXGRV-UHFFFAOYSA-N 262.784 4.759 30 10 CJEE CCc1ccccc1OCCC[C@](C)(C#N)c1ccccc1 57687489 DLIGGQUWMNXWPX-HXUWFJFHSA-N 293.410 4.889 30 10 CJEE N#C[C@@H](Cc1ccc(F)cc1)c1cccc2ccccc12 57734975 GIVZQMSMIFWTCW-MRXNPFEDSA-N 275.326 4.829 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)OC)cc1 59095456 YXDIIKGEQLULOO-CQSZACIVSA-N 277.408 4.634 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(C(=O)NC)c1C 59469194 QSNXSCRXIBLOSE-CQSZACIVSA-N 290.451 4.516 30 10 CJEE Cc1ccc(Cl)c(Oc2nc3ccccc3cc2C#N)c1 71390600 DBFXCBWUBVJSRW-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE Cc1cccc(C(C)C)c1Nc1cccc(F)c1C#N 71599794 PLEUKBVKRDKBBK-UHFFFAOYSA-N 268.335 4.873 30 10 CJEE N#C[C@@]1(Cc2cccc(Cl)c2)CCCc2ccccc21 87930123 UCVMECFNTDTQGC-SFHVURJKSA-N 281.786 4.680 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccccc2Br)C1 87996683 MECUIEJRZYBNMU-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCC[C@@H]1CO 91375590 GMYIDIVGBAVMNX-RTBURBONSA-N 297.527 4.906 30 10 CJEE O=C(/C=C/c1ncc(-c2ccccc2)s1)c1ccsc1 92207953 SJOWVLRBBUVPRV-VOTSOKGWSA-N 297.404 4.768 30 10 CJEE CCCCCCCCO[C@@H](C)CN[C@H](C)CCC 110239608 LLBBBDQGUZLJOZ-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCn1ccc2c(CN)cccc21 112930798 JIULTJNZILHNEI-UHFFFAOYSA-N 272.436 4.851 30 10 CJEE CCCCCCCCCCC1(O)CCN(CCC)CC1 115650248 MTSROEGXNXPQBX-UHFFFAOYSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cnn(C)c1 115689014 HBWYQFJARNSBIN-KRWDZBQOSA-N 279.472 4.602 30 10 CJEE C#Cc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1 124717043 MYYQCBUHFMPBME-UHFFFAOYSA-N 255.405 4.685 30 10 CJEE CCCCCCCCC[C@@](C)(F)[C@H]1CCCNC1 127031453 MUSLADTZPYWBFD-JKSUJKDBSA-N 257.437 4.855 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC(CC)(CC)C1 128737874 QYYOQMWBBPRSPP-KRWDZBQOSA-N 282.516 4.576 30 10 CJEE CCCc1c(-c2cccc(Cl)c2F)sc(C#N)c1N 131191997 FZDDUOHFELXSPI-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCC[C@@H]1NC 132190603 NPFLNITVVZJMSJ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134662597 UAUSUEMRSFRKRD-GHMZBOCLSA-N 290.819 4.685 30 10 CJEE CCCCCCCCCC(=O)CCc1cccnc1 135407724 QMRVUTLQKHITLW-UHFFFAOYSA-N 261.409 4.724 30 10 CJEE CCCCCCCCC[C@H](CCc1cccnc1)NC 139454403 KCAOYVSWUIUNMF-GOSISDBHSA-N 276.468 4.743 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(Cl)c(C#N)c1 155870445 UIIIYEFIRXWTHO-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE CCCCCCCCC[C@@H](N)c1c(OC)cccc1OC 157827089 MWTRJCNTJIEKSW-OAHLLOKOSA-N 293.451 4.844 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(OC)cc(OC)c1 159074238 RJLTUJTWHUAIMY-GOSISDBHSA-N 293.451 4.715 30 10 CJEE C=C(Cl)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 167727264 GRDUIIBDRXRTNP-SSDOTTSWSA-N 282.573 4.536 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccncc1C 167755578 ZHHRDSFRDFZVPI-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCCCC[C@@H](C)[C@H]1CNCCO1 168465781 VRYKBVVYJNSQNB-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE N#C[C@@H]1CCC[C@H](Nc2ccc(COC3CCCC3)cc2)C1 193092870 HSAKKOYASWREGA-AEFFLSMTSA-N 298.430 4.640 30 10 CJEE C[Si](C)(C)N(Cc1ccccc1)C1(C#N)CCCCC1 205171644 VGSVQEAWVQCGIV-UHFFFAOYSA-N 286.495 4.550 30 10 CJEE CCCCCCCCCCCCN1CCCNCCC1 215200025 LXUSFMTUVUOIJD-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE N#Cc1cccc(Oc2ccc(F)c(C(F)(F)F)c2)c1 227637368 PMTRGQWRLSHXPZ-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)c2cc(C)cc(C)c2)C1 227849098 BNDPPXQJOMUCFQ-NZSAHSFTSA-N 285.431 4.621 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2cc(Cl)cc3c2OCC3)C1 228551636 VVOWNDXUOVKOMU-SJKOYZFVSA-N 289.806 4.537 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 229735411 QYHYWBSWADGHLO-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN[C@@H](CCO)C(C)(C)C 231074216 OLCOZLBCEQDZBQ-INIZCTEOSA-N 271.489 4.514 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(SCC)cc1 232938886 XZVKQKVRTKTMHC-INIZCTEOSA-N 280.481 4.664 30 10 CJEE CCCCCCCCCN[C@H]1CCC[C@@H]1SC 232949915 BADXXVAUIMRSDT-GJZGRUSLSA-N 257.487 4.611 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@H](C)C2)c1C#N 233871821 QXGIDKIGRKPRES-UONOGXRCSA-N 288.460 4.908 30 10 CJEE C=CCCCCCOc1ccc([C@@H](C)O)cc1Cl 235240203 ZHWNGXGNCPWGCB-GFCCVEGCSA-N 268.784 4.519 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNCCC 250837015 SIZZYSKIRXTOPB-YESZJQIVSA-N 251.458 4.641 30 10 CJEE O=[N+]([O-])c1ccc(F)c(N=Cc2ccc3ccccc3c2)c1 252460998 JTOPPDBVFHJWJS-UHFFFAOYSA-N 294.285 4.638 30 10 CJEE CC(C)(C#N)c1cccc2ccn(C3CCCC3)c12 259986501 JTUFIPVCWJHNJW-UHFFFAOYSA-N 252.361 4.558 30 10 CJEE CCCCCCC[C@@H](NCC)c1cncc(Cl)c1 307961117 WLBTUQJSRXZCTG-OAHLLOKOSA-N 268.832 4.746 30 10 CJEE CCCCCCCCC[C@@H](CCCCOC)NC 310721072 IHAGJPWKZAUEBK-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C[C@H](COc1cccc(Cl)c1C#N)C1CCCCC1 311959913 ZEGXTCJDRDJZJH-GFCCVEGCSA-N 277.795 4.807 30 10 CJEE CC(C)(Nc1ccc(C#N)c(Cl)c1)c1ccccc1 311988415 VAYKNANDBSCILE-UHFFFAOYSA-N 270.763 4.559 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1 313420056 BSLRZJCQQZAROV-GFCCVEGCSA-N 270.763 4.579 30 10 CJEE C#CCCC[C@@]1(CNCC(C)C)CCC[C@H](CC)C1 318140559 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4.512 30 10 CJEE C=CC[C@H](CC)N[C@H]1c2ccccc2CCC1(C)C 393768399 FQYUCYSVBKNAQF-RDJZCZTQSA-N 257.421 4.644 30 10 CJEE C=CC[C@@H](CC)Nc1nc(Cl)c(Cl)cc1Cl 393823801 WNZLINXDKIJJCU-SSDOTTSWSA-N 279.598 4.808 30 10 CJEE CC(C)C1CCC(C#N)(CCC[C@H]2CCOC2)CC1 401017952 VQIJZTWAXIQBJS-GTPINHCMSA-N 263.425 4.549 30 10 CJEE CCCCCCCCC[C@@H](CC1(COC)CC1)NC 401240944 IEZHABLAUDREMC-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H](CC)CC(F)(F)F 402611373 GRTSRWBALISTDC-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CCCCO[C@H]1CCCCCCCCCC[C@@H]1NC 403486107 ZSDHGRAYGDPPRB-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CC(C)(C)CO[C@H]1CCCCCCCCCC[C@H]1N 403890132 GDRUSYBYFKTSTO-SJORKVTESA-N 281.484 4.826 30 10 CJEE CCCCCCCCC[C@H](CC(C)(C)C1CC1)NN 405806129 WQZVBNYVNPJFOW-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE C=CCCc1ccccc1NC(=O)CC(CC)CC 410377570 DESQLVCQSHFLDM-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)cc(OC)c1C 686625785 MWACDTIQKRMODT-MRXNPFEDSA-N 263.425 4.672 30 10 CJEE 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CCCCCCC[C@H]1Cc2ccccc2[C@@H]1NCC 109658704 VMWBOKXKNYCJPC-FUHWJXTLSA-N 259.437 4.870 30 10 CJEE CCCCCCCO[C@@H](C)[C@H](NC)c1ccc(CC)cc1 110081557 QXXPBMWGHXOYPV-LPHOPBHVSA-N 291.479 4.885 30 10 CJEE Cc1ccc(Nc2nc3c(cc2C#N)CCCC3)c(Cl)c1 110253685 VVZILIDZBFJXNH-UHFFFAOYSA-N 297.789 4.538 30 10 CJEE Cc1ccc2cccc(Nc3ccc(Cl)cc3C#N)c2n1 110258344 RRZIBJDFPNOEHS-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCCCCCCC[C@@]1(O)CCN(C2CC2)C1 115650522 RCOHINXSNFEUGK-LJQANCHMSA-N 295.511 4.897 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@H](C(C)C)C1 115653876 QDNFRNDEUFPUSI-DLBZAZTESA-N 270.457 4.693 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@](C)(CC)N(C)C 118151316 XBFKMSOGIRJWRU-DLBZAZTESA-N 271.489 4.608 30 10 CJEE CCCCCCC[C@H](NCC)C1(N(C)C)CCCCCC1 118187144 VHUKRNRRBUKGAO-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCS[C@@H](C(=O)O)C(C)C 125963976 ZBUMEADUHOLSLQ-CQSZACIVSA-N 274.470 4.970 30 10 CJEE CC1(C)CC(=O)C=C(c2cc3cc(Cl)ccc3o2)C1 129055731 NVUBFJJXHVGBIY-UHFFFAOYSA-N 274.747 4.859 30 10 CJEE CC(C)(C)C1CCC([C@@H](C#N)Nc2cccc(F)c2)CC1 130048211 XEIJFHVJUZKFKY-MQBCKMQZSA-N 288.410 4.982 30 10 CJEE CCCCCCCC[C@@H](NN)C1(OC)CCC(C)(C)CC1 131078561 CEOFLMMAGQCWOH-MRXNPFEDSA-N 298.515 4.554 30 10 CJEE Cc1cc(Nc2cccc(C(C)C)c2)ccc1C#N 133355374 XJDASKKONKFPGE-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCSc1cccc(N2c3ccccc3C[C@@H]2C)c1C#N 136610114 DMSLKZLETZFMEU-ZDUSSCGKSA-N 294.423 4.753 30 10 CJEE CSc1cccc(Oc2cccc3cccnc23)c1C#N 136707843 KNZFWVZALDSWLY-UHFFFAOYSA-N 292.363 4.621 30 10 CJEE CCCCCCCCCC[C@@H](N)c1csc(C)n1 143449259 HGVNYSHFPQIVHC-CQSZACIVSA-N 268.470 4.982 30 10 CJEE C=C(Cl)CN[C@H](CCCCC)c1ccccc1 161003509 BGZCORWMEODKMU-OAHLLOKOSA-N 251.801 4.650 30 10 CJEE C#CC[C@H](CC)N[C@@H](C)c1cc(Cl)sc1Cl 168240826 PMPDOBOBFRBXGT-IUCAKERBSA-N 276.232 4.507 30 10 CJEE CC(C)(CCC#N)CNc1cccc(C(C)(F)F)c1 189546216 DTHKYDHLNOGQPC-UHFFFAOYSA-N 266.335 4.540 30 10 CJEE C[C@H]1C[C@H](C)CC[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 218554687 VEJGEQRCUUDOAL-ZFQZYHBASA-N 291.479 4.920 30 10 CJEE CCCCCCCC(=O)c1cnccc1C(F)(F)F 225482578 JDHDJEZVSZDHMW-UHFFFAOYSA-N 273.298 4.644 30 10 CJEE CCCC[C@@H](CCC)N[C@@H](CC#N)c1ccccc1 226038975 OULXMIRZQGVQFK-SJORKVTESA-N 258.409 4.590 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(OC(F)(F)F)cc1 229759459 YETYTPKFYXXDJQ-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CC(C)C[C@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)C1 230779374 VUVYILPCNFTZOH-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE CCCCCCCCCNc1c(C#N)cccc1OC 231105594 DIMVPECZSDLYOK-UHFFFAOYSA-N 274.408 4.729 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 235289217 SANKGCPFNKBUGA-JTQLQIEISA-N 283.198 4.851 30 10 CJEE Cc1ccc([C@@H](C#N)Nc2ccccc2C)cc1Cl 235910940 UBOUYYXVNAVUCM-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#C[C@H]1CCCC[C@@H]1SCc1ccccc1Cl 236041486 QDVLDNLSMQCEOE-RISCZKNCSA-N 265.809 4.656 30 10 CJEE CN(C[C@@H]1C[C@H]2CC[C@H]1C2)CC1(CS)CCCCCC1 250369570 GVUZROJPPJCGRT-ULQDDVLXSA-N 295.536 4.625 30 10 CJEE CC(C)(C)[C@@H]1CCCN([C@H]2CCCCC[C@@H]2C#N)CC1 250708779 QUBUZQFRUWKANJ-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H]2CC[C@H]1C2 250824896 NCFRWASKEFUMCR-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE CCC(CC)N(CC(C)C)[C@H]1C[C@H](CC)CC[C@@H]1C#N 251707927 RBTGTKMWJUJCDT-NUJGCVRESA-N 278.484 4.851 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)C[C@H](C)CC[C@H]2C)CC1 252543622 HFXWTMQNWNCGJM-IUGQGLEPSA-N 277.452 4.674 30 10 CJEE C[C@H](Cc1c(Cl)ccc(Cl)c1Cl)[C@@H]1O[C@@H]1C 253486529 XTTFIACEZACULM-QHMRUWFYSA-N 279.594 4.613 30 10 CJEE Cc1ccc(C=Nc2ccc(C(F)(F)F)cc2)s1 254701100 RJGSBXCOQAURQE-UHFFFAOYSA-N 269.291 4.826 30 10 CJEE N#C[C@H](c1ccc(C2CCCCC2)cc1)c1cc[nH]c1 259098445 JRMZUGGGSARSMZ-GOSISDBHSA-N 264.372 4.718 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C)c(Cl)c2)C1 300257933 QTHYRYZTBMBBGQ-KBRIMQKVSA-N 291.822 4.792 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(F)cc1Cl 308003462 BWVGORIIWFWWGV-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C[C@H](C)CC(C)(C)C 311348829 UKTBPPQMYNUHEV-JKSUJKDBSA-N 265.485 4.867 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SC2(CO)CCCCC2)C1 313062243 MFCCUYBTFWWATP-OWCLPIDISA-N 295.492 4.523 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](C)c2ccccc2)C1 316765201 DCVASDIUAGGHPG-NUJGCVRESA-N 258.405 4.966 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC2(F)F)CCc2ccccc2C1 382199985 RUEYFFMRTBCZFO-HOTGVXAUSA-N 275.342 4.511 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](CN)[C@H]1C 385693025 PCNLZSMQPFRPBL-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCC(C)(C)CNC1CCC(C(C)(C)C)CC1 386231733 PXMJUZAQLHRHAJ-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1ccc(Cl)c(F)c1 394952537 IYNPDUWAJSSJBZ-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CCCN[C@]1(C#N)CCC[C@@H](CSC2CCCCC2)C1 403251631 GCEJKGVYQVMSOX-NVXWUHKLSA-N 294.508 4.504 30 10 CJEE CCCCCCCC[C@@H](CCC(C)(C)C1CC1)NN 405771484 MSXMRIGYLCIGCP-INIZCTEOSA-N 268.489 4.785 30 10 CJEE C=CCC[C@H](CC)N[C@@H](C)c1ccc2ncsc2c1 485713663 QOSBILBWIUCPTL-JSGCOSHPSA-N 274.433 4.692 30 10 CJEE Fc1cc(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c1F 514255716 AXNUOMKZQZTLGN-UHFFFAOYSA-N 294.169 4.929 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(Cl)cc(F)c1F 686709523 SWXHDTRTHDAWOI-HNNXBMFYSA-N 299.792 4.853 30 10 CJEE CC[C@@H](CC(F)F)C[C@](C)(C#N)c1ccccc1 688760448 OOFLJSIECLRSOK-SWLSCSKDSA-N 251.320 4.539 30 10 CJEE Cc1cc(C#N)ccc1NCc1ccc(Cl)c(Cl)c1 689225741 WDKKGMXJQZDLOH-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCCN[C@H](C)C[C@H]1CCOC1 689836107 LQSKDISTCJBIEM-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C)c(F)c1 692220658 MMXCYRRKANUSPM-HDMKZQKVSA-N 275.411 4.920 30 10 CJEE CCC[C@@H](CS)CN(C)Cc1cc2cscc2s1 693858194 VDXJUHUPVVIODC-LLVKDONJSA-N 299.530 4.741 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cc2cscc2s1 693961831 YXJUZGAAGABZQA-CYBMUJFWSA-N 290.457 4.840 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)CC(F)(F)F 694028990 YUXOETNKHUFWLR-CHWSQXEVSA-N 277.374 4.690 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC(C)(C)CC(F)(F)F)C1 694127156 KUEMUODOYZPGHV-YPMHNXCESA-N 264.331 4.751 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 695702777 CIZYMUFJDDJWKQ-IUODEOHRSA-N 276.811 4.838 30 10 CJEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 698357170 BGOYHMNMLSUKPN-QGZVFWFLSA-N 296.455 4.885 30 10 CJEE CCCCCCCCCCC/C=C(\C)[C@@H]1CNCCO1 699611727 JXIFWAPNNXXKRY-KJCUYJGMSA-N 281.484 4.842 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1cccnn1 701771225 LIFDUFKQPBBAAI-MRXNPFEDSA-N 277.456 4.787 30 10 CJEE CCCCCCCCCC[C@]1(N)COC[C@H]1C(C)C 704985052 SHDYABOXDGERFK-IRXDYDNUSA-N 269.473 4.517 30 10 CJEE CCCCCCCCOC[C@@H](NC)C1C(C)(C)C1(C)C 707053289 HYOSYYDIOLGXAK-OAHLLOKOSA-N 283.500 4.634 30 10 CJEE C[C@@H]1CCC[C@@H](C/N=C2/NC3(CCCCCC3)CS2)C1 713217638 XTHBJHDBUJQLAA-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE C[C@@H]1CCCC[C@H]1C/N=C1/NC2(CCCCCC2)CS1 713217659 YGTHLUXQKONZJF-CABCVRRESA-N 294.508 4.598 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCC[C@H](CN)C1 713802911 UPWIVZXKKHENNW-DLBZAZTESA-N 281.484 4.851 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(CC)s1 715702289 BLMCUBHZPPHMAT-SWLSCSKDSA-N 251.439 4.563 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1(OC)CCC(C)(C)CC1 715755170 XHCKZBAHBYBCID-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE CCCCCCCCNc1nc(CCC)c(C(=O)O)s1 721290136 FFRBVDHTYUZOOM-UHFFFAOYSA-N 298.452 4.566 30 10 CJEE Cc1c(SC(F)(F)F)sc2c(CC#N)cccc12 725314550 RDVOCCSVPGAENR-UHFFFAOYSA-N 287.331 4.888 30 10 CJEE C=CC[C@H](CC)NC(=O)CC1CCC(C(C)(C)C)CC1 1128531832 IFTUJLIMQPNZTA-GPANFISMSA-N 279.468 4.700 30 10 CJEE CCCCCCCN(C)[C@@H](C)c1sc(C)nc1C 1167360261 KYVVFDSZYHUCDO-ZDUSSCGKSA-N 268.470 4.723 30 10 CJEE C=CCC1(NCc2ccc(Cl)c(F)c2)CCCCC1 1175371126 AMCJOFRZCWUINJ-UHFFFAOYSA-N 281.802 4.848 30 10 CJEE C=CCCCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 1181043403 NNXQKWYOGUZPMA-ZDUSSCGKSA-N 285.353 4.582 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(CC)c(OC)c1 1181818007 GDJCCCDIABDAIG-HNNXBMFYSA-N 261.409 4.804 30 10 CJEE C=CC[C@H]1CCCN(C/C=C\c2ccc(Cl)cc2)C1 1195946076 GCNPQOHYKKPQFL-UYZDIKGJSA-N 275.823 4.641 30 10 CJEE Cc1cc(N[C@H]2CCC[C@H](C#N)C2)c2ccccc2c1 1205875231 HQQYHNWRFYPQFK-HOCLYGCPSA-N 264.372 4.643 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 1210292772 SPEKEKAFYOAERB-HNNXBMFYSA-N 294.398 4.911 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C)(C)Cc2ccccc2)C1 1308269062 UJCJPYMJOMUVTP-FUHWJXTLSA-N 271.448 4.590 30 10 CJEE C=CCCC(C)(C)CNC/C=C\c1ccc(F)c(F)c1 1308487238 SRUVJRTYPYIFET-SREVYHEPSA-N 279.374 4.560 30 10 CJEE C=CCCC[C@@H](C(=O)NCc1cccs1)c1ccccc1 1348530295 NYVIETLXYLHWRS-QGZVFWFLSA-N 299.439 4.504 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C 1360894990 NJESLUOBRCDWOP-MSOLQXFVSA-N 299.458 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc(C)ccc2C)c1 1439931631 NVPXQJNTGSLIOM-UHFFFAOYSA-N 265.356 4.589 30 10 CJEE C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 1459859241 GQTHRISNZJZVCJ-KBRIMQKVSA-N 277.839 4.983 30 10 CJEE C#C[C@H](NC1CCC2(CCCC2)CC1)c1ccc(F)cc1 1462283054 ZNHFXXJTRIONAZ-SFHVURJKSA-N 285.406 4.593 30 10 CJEE C=CC[C@H]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)C1 1469927907 WKMIKUYWYQXKPR-SJORKVTESA-N 277.452 4.574 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 1523894088 BSGALUHTCUFJNO-IAGOWNOFSA-N 283.415 4.570 30 10 CJEE C=CCCCCNC(=O)c1sccc1-c1ccc(C)cc1 1530015913 OYHBDEPDVSGVIF-UHFFFAOYSA-N 299.439 4.810 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@H](C)c2ccccc21 1536651589 QJEQXKBECCLXOK-CQSZACIVSA-N 271.404 4.519 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(C)C)c1 1538889879 GAZXDEAHNVKRMP-QAPCUYQASA-N 285.431 4.675 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(COC(C)(C)C)c1 1539018671 BOKJZGBNOWZTGZ-GOSISDBHSA-N 289.419 4.543 30 10 CJEE C=CCC(C)(C)C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 1586405163 LEFIJSGYIJWLRE-GJZGRUSLSA-N 279.468 4.557 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@@H]1CCc2cccc3cccc1c23 1610946134 QEADYAKVGHGZSV-QGZVFWFLSA-N 293.410 4.546 30 10 CJEE C=CCC[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 1616738810 RISZPHSOYFOCJZ-QLKUMGTLSA-N 270.203 4.603 30 10 CJEE C#CCCCCCCN1CCC[C@H]1c1ccc(F)cc1 1621219707 IYRFADCUMHYCAK-SFHVURJKSA-N 273.395 4.546 30 10 CJEE C=CCC[C@@H](NC(=O)Nc1cccc(C)c1)c1ccccc1 1622842980 UIFAIKYWAYMDQT-GOSISDBHSA-N 294.398 4.824 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccc(C(C)(C)C)c(F)c1 1625321061 CTZOUZKGTUJXPG-UHFFFAOYSA-N 277.383 4.664 30 10 CJEE C=CCCCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 1635113801 NFIJSJPJOZWYJQ-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CC[C@H](CC)Nc1nc2cccc(OC(F)F)c2s1 1642680919 SGJCPOZHYWKAOZ-VIFPVBQESA-N 298.358 4.664 30 10 CJEE C=CC[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccncc1 1656516532 JMRZMDAWBJIFKH-NVXWUHKLSA-N 272.436 4.505 30 10 CJEE C#Cc1cccc(NC[C@@H](C)CC2CCCCC2)c1 1657653153 WMWWQMNRNUEYBA-HNNXBMFYSA-N 255.405 4.686 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(OCCC)cc2C)C1 1658518459 FLGLFXQKEZWOFF-QGZVFWFLSA-N 287.447 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CCC)C(C)(C)C 1672844234 CREFTXJYGHAKLE-PMPSAXMXSA-N 294.483 4.635 30 10 CJEE C=CCCCCCCCCNC(=O)N[C@]12CCCC[C@H]1C2 1682865070 VAPZZQOJBDJGPD-WMZOPIPTSA-N 292.467 4.535 30 10 CJEE C=CCN(C(=O)c1ccc(C)c(C)c1)[C@H]1CCCC[C@H]1C 1860027424 WTUYZPFBGBQWJD-QAPCUYQASA-N 285.431 4.510 30 10 CJEE C=CCOc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874598999 PVDIYSJHHTVXCP-PKNBQFBNSA-N 292.378 4.764 30 10 CJEE CCC1CCC(CN(C)C[C@H](CS)C(C)(C)C)CC1 1877937047 JDJONPYXYPOSCB-UYSNPLJNSA-N 285.541 4.727 30 10 CJEE C[C@@H]1CC[C@@](C#N)(CC2CC3(C2)C(F)(F)C32CC2)C1 1881850088 IDWUBUGYDPTXIT-UQJCBBSYSA-N 265.347 4.532 30 10 CJEE C=CCCCCCN(CC)[C@H](CC)c1ccncc1 1884235068 KCCIODOWNFAPOT-QGZVFWFLSA-N 260.425 4.601 30 10 CJEE C=C1CCC(CN2[C@H]3CCC[C@H]2CC2(CC2)C3)CC1 1884407859 RGLOLUGBEHWQPN-IRXDYDNUSA-N 259.437 4.530 30 10 CJEE CC#CCCCC[C@@]1(CNC(C)(C)C)CC=CCC1 1885236082 IZQZOQWBJUPPPO-GOSISDBHSA-N 261.453 4.685 30 10 CJEE C#CC[C@H](C[C@](C)(CCC)CNC(C)(C)C)C1CC1 1887464544 NQBUNIFWDIXIIO-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE C=C[C@H](N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C1CCC1 1892934924 TXGGGULVACQCIB-IKGGRYGDSA-N 263.469 4.926 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2C[C@@]2(C)C(F)(F)F)CC1 1909515409 LGJJCVDMKQZHPF-YIFLHPOLSA-N 276.342 4.606 30 10 CJEE C=C[C@@H]1CCCN1c1cccc(Cl)c1[C@@H](C)NCCC 1916815533 ZICXZHOCOAVOGU-ZIAGYGMSSA-N 292.854 4.555 30 10 CJEE C#C[C@@H]1CC[C@H](N[C@@H](CCCCC)c2ccccc2)C1 1918877980 JUISMBQAZDNKBH-NEWSRXKRSA-N 269.432 4.700 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(C)cc1F 1919507822 ABPZCWKBOUECKJ-INIZCTEOSA-N 251.389 4.669 30 10 CJEE C=CCOc1ccccc1[C@@H](O)C[C@@H](CC)CCCC 1920026911 GZGYUHMTBFLGPG-RDJZCZTQSA-N 276.420 4.891 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NCC)[C@@H](C)CC(C)C 1921130325 XENFGGIXYATREM-BZSNNMDCSA-N 285.516 4.758 30 10 CJEE O=C[C@@]1(CCCc2ccccc2)CCCC12CCC2 1921594930 KDNUOUYYVDUMSD-GOSISDBHSA-N 256.389 4.549 30 10 CJEE CC[C@@H](CC(F)F)C[C@@]1(C#N)CCCC12CCC2 1921620258 MIOWZCXKMQOGHS-SWLSCSKDSA-N 255.352 4.922 30 10 CJEE N#C[C@@]1(Cc2cc(Cl)ccc2F)CCCC12CCC2 1921633784 SFTAMWKTCXSWIW-INIZCTEOSA-N 277.770 4.886 30 10 CJEE C1CCC(C[C@@H]2CSC(=NCCCC3CCC3)N2)CC1 1926671332 ZPABFCGLEYSKHY-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE CC(C)(C)S[C@H](C#N)[C@@H]1CCC2(CCCC2)C1 1949504364 FZNKNDRLAPNSCP-CHWSQXEVSA-N 251.439 4.771 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cccc(Cl)c1Cl 1975927917 SJWWKUUBKCOCOH-RNCFNFMXSA-N 258.192 4.596 30 10 CJEE N#C[C@]1(Cc2cc(Br)cs2)CCC12CCC2 1979523561 TVJCQGYZIFWNLX-CYBMUJFWSA-N 296.233 4.527 30 10 CJEE C=C(Cl)CC[C@@H](NCC)c1ccc(Cl)cc1 1980689808 LFYDOKUKMNGVFY-CYBMUJFWSA-N 258.192 4.523 30 10 CJEE CC1(C)CC[C@@]1(C=O)Cc1cc(Cl)sc1Cl 1990729658 WZSIFUHSBXJXLN-LBPRGKRZSA-N 277.216 4.603 30 10 CJEE CCC[C@@H](CS)COc1cc(C)c(Cl)cc1C 2017906336 UPHUCJRDNJCYPL-GFCCVEGCSA-N 272.841 4.682 30 10 CJEE O=C(C=Cc1ccccc1)c1c(Cl)cccc1Cl 2026926678 ZFNGUAJSNKXMOI-UHFFFAOYSA-N 277.150 4.890 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CCC[C@H]21 2027324342 YBWBKQXADPFPDT-UMVBOHGHSA-N 259.418 4.565 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@H](CS)C1CCC1 2029287706 VEWWKLJDVASFFW-CYBMUJFWSA-N 284.852 4.682 30 10 CJEE C=CCCCCCCNCC(C)(C)C1CCCC1 2034021094 PELFWMBELMORNB-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(C)CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCCC 2035363958 NLJDLOPAGFOUGA-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE C=C([C@@H](O)C1CCC(C(C)(C)C)CC1)C(C)(C)C 2035416153 CZOIGHVUXLGLHX-YMAMQOFZSA-N 252.442 4.802 30 10 CJEE C#Cc1ccc(CNc2ccc(Cl)cc2Cl)cc1 2040128492 UAKVAZZFSJRPEU-UHFFFAOYSA-N 276.166 4.587 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(C(C)C)cc2)o1 2040483987 POYRRBZPUDGIGV-UHFFFAOYSA-N 254.329 4.608 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc([C@@H]2C[C@H]2C)o1 2045769929 LMJSTWQTFCGEPP-RTXFEEFZSA-N 267.800 4.586 30 10 CJEE C=CCC[C@H](C)[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@H]21 2047407480 GSEXSRIAYHILGH-UTSKFRMZSA-N 250.426 4.556 30 10 CJEE Cc1cccc(NCC2(C#N)CCCCC2)c1Cl 2047533496 WBWVBPXDTFWGGK-UHFFFAOYSA-N 262.784 4.534 30 10 CJEE C=CC1(C[C@]2(O)C[C@H](C)Sc3sccc32)CCC1 2049036414 WPCYRBSODSJNCV-XHDPSFHLSA-N 280.458 4.566 30 10 CJEE C=CCCCC(=O)CC1CCC(C(F)(F)F)CC1 2052909587 DQTXHUDYNQFTKK-UHFFFAOYSA-N 262.315 4.671 30 10 CJEE C[C@H]1CC([C@]2(C=O)CCCCC2(C)C)C[C@H](C)C1 2053396037 BYDQKMVSPNUGJL-CKEIUWERSA-N 250.426 4.844 30 10 CJEE CCCCCCCC[C@]1(O)CC[C@@]2(C(C)C)C[C@@H]12 2058611546 SFVQQQQQMXDXHV-IKGGRYGDSA-N 252.442 4.924 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc2ccccc2s1 2062214449 NGDBCDAWBZGUAD-CYBMUJFWSA-N 263.381 4.815 30 10 CJEE CCCCCCCC[C@@]1(F)CCC12CCNCC2 2067213360 FDKIFUIDSLXURN-MRXNPFEDSA-N 255.421 4.609 30 10 CJEE CC(C)[P@](C)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2077131911 YLGZDFNFOMTTJK-NPSOMJIGSA-N 269.369 4.742 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2083546478 PZMVESWIFYMYPR-TVQRCGJNSA-N 284.186 4.606 30 10 CJEE C=CCCCCCC[C@@H](O)C1(F)CC2(CCC2)C1 2085846465 GHDJYZPPNAMLSO-CQSZACIVSA-N 254.389 4.546 30 10 CJEE C=CCCCCCC[C@H](C[C@@H](C)C(F)(F)F)NC 2085857212 WPNZZQSZVDPTLQ-CHWSQXEVSA-N 265.363 4.690 30 10 CJEE C=CCCCCCCCCCN1CC=C[C@@H]1CF 2086234060 QRTKQTWGUAXRHN-MRXNPFEDSA-N 253.405 4.503 30 10 CJEE C=CCCCCCCCCNCCC1CC(C)C1 2086262971 BSXKRZWZKVRTNE-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CC(=O)C1=CCCCCC1 2089639523 IWDUNKTTWWUXJC-HRCADAONSA-N 260.421 4.908 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](CS)C1CCC1 2089759038 XIUOUKHUDDMDJE-XBVQOTNRSA-N 284.509 4.810 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(O)CCCCC 2092176442 HDEHRBFEPFFLCO-IRXDYDNUSA-N 271.489 4.656 30 10 CJEE CCCCCCCCCC[C@]1(O)CCCC(=O)CC1 2094759034 IYLKWXUAXGVMIM-KRWDZBQOSA-N 268.441 4.782 30 10 CJEE CCCCCCCCC[C@@H](CCOCCCC)NC 2094763428 DLURPVZPGJCQTA-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)cs1 2100880289 OTSZGTTWYFNGID-ZBFHGGJFSA-N 277.433 4.590 30 10 CJEE CC1(C)CCC[C@H](C(=O)C=Cc2ccccc2)CC1 2100881034 SMTIHLRDLDCVJZ-INIZCTEOSA-N 256.389 4.875 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H]1CCC[C@@H](CC)CC1 2103082924 UAQUPMFHSOUANS-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE CC(C)(C#N)CCN[C@@H]1CCC[C@H](C(C)(C)C)CC1 2103210413 XQZNKVHZYDSXNT-LSDHHAIUSA-N 264.457 4.511 30 10 CJEE CCCCCCCCCC[C@@H](CCC1CCC1)NN 2104650051 UUHVLPRXSGFMSG-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE Cc1ccnc(C2(C#N)CCC(C(C)C)CC2)c1Cl 2104787721 UCCGKPQRQKPKQS-UHFFFAOYSA-N 276.811 4.651 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)([C@@H]2CCC(F)(F)C2)C1 2107520116 DDUIZXHXAMSHQV-GFCCVEGCSA-N 272.379 4.843 30 10 CJEE CCCCCCCCCC1(CO)C[C@H]2[C@H](C1)C2(F)F 2107645113 LLVAOAYIZZNAKI-KBPBESRZSA-N 274.395 4.781 30 10 CJEE CCCC[C@](CC)(CC#CC1CC1)CNC(C)(C)C 2108189976 LQVAJCLJFLAVAL-GOSISDBHSA-N 263.469 4.765 30 10 CJEE CCCCCCCO[C@@](C)(CNC)C1CCCCC1 2111285991 ZFCIOPVCESYELX-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@@]2(C)CCCC2(F)F)C1 2112208149 JSFWRLKXBOVYLL-CABCVRRESA-N 272.379 4.988 30 10 CJEE CCO[C@@H]1C[C@H]([C@@]2(C#N)CCCC(C)(C)C2)C1(C)C 2112244453 NBSRLKSFLCRJLD-VBQJREDUSA-N 263.425 4.548 30 10 CJEE CCCCCCCCC(=O)[C@@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2114417195 FWKBWBFHEOZJEC-QEJZJMRPSA-N 272.379 4.988 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccccc1CCC 2116656843 XYHNIJFOHAIEBF-YJBOKZPZSA-N 259.437 4.892 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CCCC[C@H]1C(F)(F)F)NC 2116659342 YKBXNFNSVAIGTJ-REWJHTLYSA-N 277.374 4.545 30 10 CJEE COC1(C[C@@]2(C#N)CCCCC23CC3)CCCCC1 2117003587 HYWGTTFNOXXVTQ-MRXNPFEDSA-N 261.409 4.590 30 10 CJEE C=C(CNC[C@@H]1CCCCC1(C)C)c1ccccc1 2117026572 WIOWDIIEHAVRBP-KRWDZBQOSA-N 257.421 4.506 30 10 CJEE CC1(C)CCCC[C@]1(C=O)C[C@@H]1[C@H]2CCCCC[C@H]21 2117031874 BPXAVDTVCGMGAE-MUQADHOPSA-N 262.437 4.988 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cc(Cl)c(C#N)cc2F)C1 2120890717 GQKVWGMFMGDPJQ-ZYHUDNBSSA-N 280.774 4.731 30 10 CJEE COc1cscc1C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2125181418 SRRQGAMTLZRCBG-GFCCVEGCSA-N 278.417 4.712 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)C(F)(F)C(F)(F)F)CC1 2125193566 MOPHXRNYGODOLP-VIFPVBQESA-N 284.268 4.526 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cnc(C(C)(C)C)s2)CC1 2125214407 JKKAKAVRTUOTHX-LLVKDONJSA-N 277.433 4.760 30 10 CJEE CCCCCCCCCCCCO[C@H](C)[C@@H]1C[C@@H]1N 2125868527 XGXDOWFWJSCCJZ-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=C(F)C[C@H](NCC)c1ccc(C)c(C(F)(F)F)c1 2126089453 YLVWOBHESHNBDW-ZDUSSCGKSA-N 275.289 4.538 30 10 CJEE C=C(F)C[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC 2126112369 UVNAMYOFBNTFHI-JQFCIGGWSA-N 263.400 4.668 30 10 CJEE CCCCC(C)(C)N=C1NC2(CCC(C)CC2)CS1 2129901062 UOOGSIFZZDUTFU-UHFFFAOYSA-N 282.497 4.597 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](C[C@@]2(C#N)CCCOC2(C)C)C1 2130448463 NHNNZIVLGJRVBF-WBTNSWJXSA-N 263.425 4.548 30 10 CJEE C=CC1(CN[C@@H](C)[C@H]2CCCC(C)(C)C2)CCCC1 2132984310 ZOKASECUYPBPRG-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CC[C@@H](CC)O2)CC1 2136749861 RTTGRIWOLCQYGS-JCCCHCCOSA-N 263.425 4.834 30 10 CJEE C=CC[C@@H]1CCN(CC2CC(C)(C)CC(C)(C)C2)C1 2138418185 BJSGGJDVLBEHPO-OAHLLOKOSA-N 263.469 4.737 30 10 CJEE CCCCCC#CC[C@@]1(O)C[C@@H](C)Sc2sccc21 2138947348 DEDOMNVVKLRYIQ-CZUORRHYSA-N 294.485 4.794 30 10 CJEE CCCCCC#CC[C@H](N)[C@H]1C[C@@H]1C1CCCCC1 2138989816 HJOQKFNIMNWLFZ-SQNIBIBYSA-N 261.453 4.504 30 10 CJEE CC[C@H](C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2139128298 QTLOVZPNKMFDTK-KBPBESRZSA-N 298.213 4.852 30 10 CJEE C#C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)C1CCCC1 2139193820 CDAMBYOWRYXZRT-BDJLRTHQSA-N 296.241 4.836 30 10 CJEE CCCCCCCCC(=O)c1nnc(C2CCC2)s1 2140154775 USOBBSBAHKMRBY-UHFFFAOYSA-N 280.437 4.739 30 10 CJEE C=CCCCCCCNCC[C@H]1CC2CCC1CC2 2141910469 YYXBNGOFBDMAOC-ABHNRTSZSA-N 263.469 4.929 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@H]1[C@H]2CCC[C@H]21 2141918262 DEEILNUTLVVEQW-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C#CC[C@@H](C)CN(C)CCCCCCCCCC=C 2142219832 JBZHMTAQKWJGFX-GOSISDBHSA-N 263.469 4.884 30 10 CJEE C=CCCCCCCCCN1CC[C@@](C)(CC)C1=O 2142388722 NBNZDANJVZFXIF-QGZVFWFLSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@H](C)CCC 2142396079 AVEJPHMBQDHJIJ-NVXWUHKLSA-N 268.441 4.659 30 10 CJEE C=CCCCCCCCCC[C@H](NN)[C@H](C)CCC 2142446961 GAXAJYLVZLGATJ-SJORKVTESA-N 268.489 4.951 30 10 CJEE C=CCCCCCCCCC[C@H](NN)C1(CC)CC1 2142448844 SZSUPUOACFKOAH-INIZCTEOSA-N 266.473 4.705 30 10 CJEE CCCCCCCCCNc1ccc2c[nH]nc2c1 2142458351 WFJRXSUXMYYQIK-UHFFFAOYSA-N 259.397 4.725 30 10 CJEE CCCCCCCCCC[C@H](NN)C1(C(F)(F)F)CC1 2144255800 NASZYVWTZNNLSB-ZDUSSCGKSA-N 294.405 4.692 30 10 CJEE C#Cc1cccc(N[C@@H]2CCCCC[C@@H]2C(F)(F)F)c1 2144654979 QWPXSIYWRUYSBF-LSDHHAIUSA-N 281.321 4.591 30 10 CJEE C#CCCCCCC1(CNCCC)C[C@@H]2CC[C@H](C1)S2 2145948313 IRUHOQLMWJZLNB-JWTNVVGKSA-N 293.520 4.614 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1cccc(C(C)C)c1 2147032637 PGOVTICVYLLFJC-KRWDZBQOSA-N 276.420 4.714 30 10 CJEE CCCCCCCC(=O)[C@H](O)c1cccc(C2CC2)c1 2147212492 UFBPMQSYBSESSR-GOSISDBHSA-N 274.404 4.527 30 10 CJEE CCCCCCCCCCC(=O)C1(O)C[C@H]2CC[C@@H]2C1 2147272402 IBUOFSUCHVZXFK-HZPDHXFCSA-N 280.452 4.637 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](O)c1cc(C)sc1C 2147726529 LJNXIKXWUIZAGK-SJORKVTESA-N 295.492 4.513 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CCCC1CC1)NC 2147986852 RQCDSINPUYREAL-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@](C)(O)C1CCC1 2148594401 GCUYMUVCFOJDCE-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](O)C1CCCCC1 2148597231 WTLAFJHDGQWDRQ-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](N)[C@]1(O)CC[C@H](C)C[C@@H]1C 2148623458 BQQCKJQGBRLIMY-XSLAGTTESA-N 283.500 4.642 30 10 CJEE CC1(C)CCC[C@@]1(C=O)Cc1ccc(C(F)(F)F)cc1 2149427339 GBMZEQHZFAMNRQ-HNNXBMFYSA-N 284.321 4.643 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)c1ccccc1 2149871287 RLGOTVZFVANIET-IBGZPJMESA-N 269.432 4.701 30 10 CJEE N#Cc1c(Cl)cccc1N1CC=CCC12CCCCC2 2150026830 VMUOSAQDHVGOBY-UHFFFAOYSA-N 286.806 4.681 30 10 CJEE CC(C)(C[C@@]1(C#N)CCc2ccccc2C1)C(F)(F)F 2150594450 PCUDAHSQAILTFO-OAHLLOKOSA-N 281.321 4.664 30 10 CJEE CCC1CCC(C=O)(CC2(COC)CCCCC2)CC1 2150600104 FCPUWMMBDMEFJW-UHFFFAOYSA-N 280.452 4.759 30 10 CJEE CCCCCCCCCCC[C@H](NN)[C@@H]1[C@H]2CCC[C@H]21 2150918393 URWLMLBNILLXTE-XWTMOSNGSA-N 280.500 4.785 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](NCC)C1=CCCC1 2151217139 SXZPGWQNRSCUND-ROUUACIJSA-N 281.484 4.576 30 10 CJEE Cc1ccc(N[C@@H]2CCSc3ccccc32)c(C#N)c1 2152750506 NTRNKNVTFRPNSS-MRXNPFEDSA-N 280.396 4.516 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc([Si](C)(C)C)c1 2154711158 NPTRKEZDFBRBFI-SFHVURJKSA-N 291.555 4.766 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1cc(C)cs1 2156076552 SJZKPYKDGNDMDA-NVXWUHKLSA-N 297.508 4.819 30 10 CJEE C[C@H](NCCCCC(C)(C)C#N)C1CCC(C)(C)CC1 2158450541 OLNARBXANRPUDF-HNNXBMFYSA-N 278.484 4.901 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H]2C[C@H]1C[C@@H]2OC 2158643547 ZWCUUAOKXWVCLO-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE CN(c1ccc(Cl)cc1C#N)C1CC(C)(C)C(C)(C)C1 2160484263 SDXCINXCODAUBE-UHFFFAOYSA-N 290.838 4.863 30 10 CJEE Cc1cc(CO[C@H]2CC(C)(C)CCC2=NO)ccc1Cl 2161990944 OWDXSOLVWFWERA-HNNXBMFYSA-N 295.810 4.574 30 10 CJEE CCCCCCCC[C@@H](N)c1c(C(C)C)nn(C)c1Cl 2164027296 OOPVBYWPVKCGLB-CYBMUJFWSA-N 299.890 4.947 30 10 CJEE CCCCCCC[C@@H](NCCC)c1sccc1C(=O)O 2164196964 OKDRBWBHFWXMJF-CQSZACIVSA-N 297.464 4.848 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1nc(C2CC2)cs1 2164220737 CXQCRSDXCNXUHT-CQSZACIVSA-N 290.476 4.501 30 10 CJEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(C(F)F)cc1 2164479267 FIGYZDZWNRWBEP-GDBMZVCRSA-N 281.346 4.768 30 10 CJEE C[C@@](CC1(C#N)CCCCC1)(C(=O)O)C1CCCCC1 2166345116 XOMXFYPNNGTOHB-INIZCTEOSA-N 277.408 4.522 30 10 CJEE C=CC1(C[C@H](Cc2ccc(C)c(C)c2)NCC)CCC1 2168031946 VGPYTMRGCDHSFX-SFHVURJKSA-N 271.448 4.570 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)[C@@H]1CCC[C@@H](C)C1 2168594131 WJXQYCJULZJRNC-UXIGCNINSA-N 274.383 4.633 30 10 CJEE CCC1(CC)CCC(=O)N(CC(CC)(CC)CS)CC1 2171397669 FJTDFGJCIXPYNB-UHFFFAOYSA-N 299.524 4.542 30 10 CJEE N#Cc1cc(Cl)ccc1N1CCCC[C@H]1C1CCCC1 2171658180 IFSOPORDDKEKDA-INIZCTEOSA-N 288.822 4.761 30 10 CJEE C#CCCCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC1CC1 2173496201 AUAPWFDFSYIFAL-RCCFBDPRSA-N 275.480 4.765 30 10 CJEE CO[C@@H](C[C@@]1(C=O)CCCCC12CC2)C1CCCCC1 2173680068 OHNKEJPJVLEHJQ-FUHWJXTLSA-N 278.436 4.511 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(O)C=CC[C@H](CC)C1 2175480930 RPBYKOZAKBFOFE-FUHWJXTLSA-N 280.452 4.804 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cccc(F)c1Cl 2176159413 GRUBJEKBMYEJIC-HOCLYGCPSA-N 295.785 4.623 30 10 CJEE C=CCCCC[C@]1(CNCCOC)CCCCC1(C)C 2179677403 KPSADLRBRNZZSV-GOSISDBHSA-N 281.484 4.555 30 10 CJEE C=C1CC(C[C@H](CSc2ccccc2C)NCCC)C1 2182157836 LDPFXCJIIYCCOQ-QGZVFWFLSA-N 289.488 4.812 30 10 CJEE CCCCCCCO[C@@]1(C(=O)O)CCCCCC12CC2 2182362050 RNIFPQMGTOAUNJ-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE CCCCCCCCCNC1CC2(C1)C(F)(F)C21CC1 2184047895 ROUAGCUHZIYQIC-UHFFFAOYSA-N 285.422 4.905 30 10 CJEE C[C@@H](C1CCCCC1)N(C)c1cc(Cl)c(F)cc1C#N 2184410139 KCCCYXJHKGXZFD-NSHDSACASA-N 294.801 4.756 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](N)CC#CC2CCCCC2)CC1 2192853333 ULTLNRKVMKHJBK-BHIYHBOVSA-N 275.480 4.894 30 10 CJEE C#C[C@H](c1ccccc1)N(C)[C@H]1C[C@H](C)CC(C)(C)C1 2195494763 BSMBTSAAUHBNST-RYQLBKOJSA-N 269.432 4.508 30 10 CJEE CCCCCCCCCCN(C)[C@@H]1CCN(CCC)C1 2195683090 WHHLMFXJAPRUKP-GOSISDBHSA-N 282.516 4.543 30 10 CJEE CCCCCCCN(C)c1ncc([C@@H](C)NCCC)s1 2196729452 OWORBABVJAJLLB-CQSZACIVSA-N 297.512 4.610 30 10 CJEE CCN(C[C@@H](C#N)C1CCCCC1)C1CCCCCC1 2197124410 WCQGWNLJZHMXAC-QGZVFWFLSA-N 276.468 4.751 30 10 CJEE C=C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CCC1 2197827616 AVQPDYDGCNGMFY-XHDPSFHLSA-N 283.337 4.711 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@]12CC[C@@H](C1)[C@@H](C)O2 2199179637 WASBFWGOUJUCIC-VSZNYVQBSA-N 281.484 4.673 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(C)cc(OC)c1 2201164062 ITQZLCGDAWZYAU-SFHVURJKSA-N 275.436 4.791 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)Cc2ccc(Cl)nc2)CC1 2203402061 ARTKAEHBCZQCBK-AWEZNQCLSA-N 291.822 4.619 30 10 CJEE CCCCCC#CCC1(CNC2CC2)CCC(C)CC1 2203826148 FVOYCESGOXWJEZ-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC[C@@]1(O)CCCNC12CCCC2 2204300940 FNUYWYFCIRECKR-GOSISDBHSA-N 281.484 4.554 30 10 CJEE CCCCCCCCC(=O)c1cc(F)c(F)cc1OC 2204516017 PWKVDUNTTIJZOL-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2206897409 BEDOLQKCYRZSRT-FXUDXRNXSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC(=O)[C@@]1(O)CCC[C@H](CC)CC1 2206903661 UNMDLYLSSLFIIX-FUHWJXTLSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](OC)C(C)(C)C1 2207379536 ZUVIEECHADLTIZ-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@](O)(CC)CCC 2207402243 ANSHPLNWOSPCHO-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1coc(CC)n1 2207403814 KNYHVNKXAYHQFU-OAHLLOKOSA-N 278.440 4.804 30 10 CJEE C=CCCCCCCCCCNCCCN(C)C(C)C 2207405944 UWVYTQSHYYFJHZ-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccnn1CCC 2207431059 BBCBSUYLJDQMQW-QGZVFWFLSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H]1C[C@H]2CC[C@H]1C2 2207433701 AASDTTNTEUJZAI-FJIDUMEYSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@]12CC[C@@H](CO1)C2 2207435131 HVKVHHRBHFTYFG-SQNIBIBYSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCCCC(=O)CC[C@H]1C[C@H](N)C1 2207441220 XZUWJDHVGBMDRJ-QAQDUYKDSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCN[C@@H]1[C@H]2CCCC(F)(F)[C@H]21 2207442544 SAOPIRWJYAHEFH-ARFHVFGLSA-N 285.422 4.927 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1ccc(Cl)c(C)c1 2207447113 WDSHYTMTLQEZHV-MRXNPFEDSA-N 296.838 4.943 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C[C@@H]1CCC[C@@H]1C)NC 2207469032 LLIIYUZRIPLOFV-XSLAGTTESA-N 283.500 4.512 30 10 CJEE CC(C)CCSC[C@](C#N)(NC(C)C)C1CCCCC1 2208116085 XPZBZHKMGUVQGC-KRWDZBQOSA-N 296.524 4.606 30 10 CJEE SCCCCCOCc1ccc(Cl)cc1Cl 2212517651 GOEQNKOUWLIKDS-UHFFFAOYSA-N 279.232 4.610 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1csc(Cl)c1 2217148921 RSAGAMPBWYNEHU-SMDDNHRTSA-N 271.857 4.524 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2220122960 GUDCGWXKQWFPCX-CQSZACIVSA-N 269.791 4.794 30 10 CJEE CCCCCCCCCOCCCC[C@@H](C)NC 2223199832 QTRHINSOZQDHKI-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE Cc1csc(C(=O)C#Cc2cccc(Cl)c2)c1Cl 2223281237 ULHGKUKUNXLHEG-UHFFFAOYSA-N 295.190 4.598 30 10 CJEE C=CCCCCc1cc(Cl)ccc1CNC(C)C 2223726355 UDTPWTFPIKCCIO-UHFFFAOYSA-N 265.828 4.737 30 10 CJEE CCCCCCCC[C@](C)(O)CC1C[C@H]2C[C@@H]2C1 2223831399 HFXBOBGLLKLMTP-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE C=CCCCCCCCCOc1c(N)cncc1Cl 2225669719 YAADMXMMFQVSCZ-UHFFFAOYSA-N 282.815 4.613 30 10 CJEE C=CCCCCOCc1ccsc1CNC(C)(C)C 2225684401 BOJSMURMTHQESX-UHFFFAOYSA-N 281.465 4.509 30 10 CJEE Cc1csc([C@@H](O)[C@]2(C#N)CCCCC2(C)C)c1C 2225857150 JJNIUZZMJGJMTE-GDBMZVCRSA-N 277.433 4.509 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1CCSc2ccc(Cl)cc21 2226334403 CMXPAWQULUWINZ-HIFRSBDPSA-N 293.863 4.514 30 10 CJEE CCCCCCC[C@H](N)c1ccnc(C(C)(F)F)c1 2226550463 BHZNGQUQTLSWOA-ZDUSSCGKSA-N 270.367 4.554 30 10 CJEE C=CCCCCCCC[C@]1(O)CCO[C@](C)(CC)C1 2227274122 UTGROEIEQUGYKZ-SJORKVTESA-N 268.441 4.613 30 10 CJEE CCC[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2227502328 IFKBKBOEZGVVFV-YUSALJHKSA-N 296.197 4.606 30 10 CJEE C=CCCCCCC[C@H](O)C1C[C@H]2CSC[C@H](C1)C2 2228466956 AHOXSCWLZBOYNB-ZOBUZTSGSA-N 282.493 4.653 30 10 CJEE C=CCCCCCC[C@@H](N)C1C[C@H]2CSC[C@H](C1)C2 2228478393 RANDCAOFCORJHS-YQQAZPJKSA-N 281.509 4.620 30 10 CJEE C=CC1(CN[C@@H]2CCC[C@@H](C(C)(C)C)C2)CCCC1 2229834145 VKOJKIMTEWGWFF-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCOc1ncc(N)cc1Cl 2231025878 GGGOGXLBMWDIQI-UHFFFAOYSA-N 284.831 4.837 30 10 CJEE CCCCCCCCCCCOCC[C@@H]1CCCN1 2231080159 RGFRUYAZWRNIBO-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCCC[C@](C)(O)CC1(CCOC)CC1 2231908476 YROIFHGGRFLHCI-INIZCTEOSA-N 270.457 4.695 30 10 CJEE C=CCCCCC(=O)[C@@](C)(O)CCCCCCCC 2231925663 OIQMXMOPUHUGER-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](CCC(C)C)NC 2231928282 JYOSCMUCLQOJPU-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE N#Cc1ccc(OCCCSCCCCC2CC2)cc1 2235465714 RQIYUTBSJWQYSC-UHFFFAOYSA-N 289.444 4.641 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@](C)(CC)N1CCCC1 2235523594 HKMQQHJQBYNBDT-QZTJIDSGSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)C[C@H](C)O[C@H](C)C1 2235525685 CQUXHTHXNBGUSC-QLPKVWCKSA-N 282.424 4.562 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cc(C)nc(C)c1 2235531591 APQFEZROHLZQII-GOSISDBHSA-N 274.452 4.876 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(O)C#Cc2cccc(Cl)c2)C1 2239461435 DUGZKIHHVWYXNW-CRAIPNDOSA-N 290.834 4.659 30 10 CJEE C#CCNC[C@@H](C)OCCCCCCCCCCCC 2239491068 XKTPYZSBELYVKX-GOSISDBHSA-N 281.484 4.535 30 10 CJEE CCCC(CCC)[C@H](C#Cc1cccc(Cl)c1)NCC 2239559042 MTDBDEMQRARSEK-SFHVURJKSA-N 291.866 4.886 30 10 CJEE C#CCCCC[C@@H](NCCC)c1ccc(C)c(F)c1F 2239761265 FCYAGWFBBMCCPD-OAHLLOKOSA-N 279.374 4.508 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(C2CCC2)cc1 2240360076 FMFHLSGRTTWWFL-BEFAXECRSA-N 269.432 4.654 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)C1CCCC1 2240639661 HXUBRVONARYLAG-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)c1cscc1C 2240647320 FXECVPHTHIRJAO-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1CC2(CCC2)CO1 2240653420 GKLMCPHUNMHKAV-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C(C)CCCCNc1ccc(OC)c(Br)c1 2250160608 AKQPNJKAFMEHEL-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1Cl 2251512224 JJUBAMQAFAPHOB-NSHDSACASA-N 288.243 4.638 30 10 CJEE CCCCCCCCC[C@]1(C)C[C@@H](N)CCS1 2252952102 BMQIDHHBSFBCCO-LSDHHAIUSA-N 257.487 4.740 30 10 CJEE CCCCCCCCCC(C)=N[S@](=O)C(C)C 2252955702 IYMSSZQPMHGRPO-QGZVFWFLSA-N 259.459 4.660 30 10 CJEE N#C[C@@H](CSC[C@H]1CC12CCC2)C1CCCCC1 2254033692 JXOFOPIVJAVZQO-LSDHHAIUSA-N 263.450 4.630 30 10 CJEE N#C[C@]1(C[C@H]2CCC[C@@H]2C(F)F)CCC12CCC2 2257842563 UPLJTGQVFJLIAT-TYNCELHUSA-N 253.336 4.532 30 10 CJEE C=CCC[C@@H](C)Cc1cccc(OC(F)(F)F)c1 2258733369 HMTZHBNZNVCNJW-LLVKDONJSA-N 258.283 4.730 30 10 CJEE FC(F)(F)C1CC(CSC[C@@H](CS)C2CCC2)C1 2259120718 OGZQESPPPXQJDO-CKBZRRDASA-N 298.439 4.654 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(CF)CCC1 2259209161 AZFVEJRWXVGEBS-OAHLLOKOSA-N 255.421 4.631 30 10 CJEE C=C(C)CCCCN(C)[C@H](C)[C@@H]1CCC[C@@H](C)C1 2259231865 RBEUHWNXULQFTH-BRWVUGGUSA-N 251.458 4.879 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(SC)CCC1 2259239615 QJWMYEBPGVXXQA-HNNXBMFYSA-N 269.498 4.777 30 10 CJEE COCCCCCCSc1ccc(Cl)cc1C#N 2259309908 NMORZOYGASWKRD-UHFFFAOYSA-N 283.824 4.511 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H](C)OC 2263717926 MHMQYRWNJUUCKV-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H](C(F)(F)F)C1 2264991169 NFIOLTLUEFEBIV-DGAVXFQQSA-N 277.374 4.545 30 10 CJEE C=C1CC(CC[C@@H]2CCC[C@H](C)C2)(CNC2CC2)C1 2265040440 HKJJBJWSXDZNGR-HOCLYGCPSA-N 261.453 4.681 30 10 CJEE C=CC[C@H]1CCCCN(CC[C@H]2CCCC23CC3)C1 2266599398 XXVNHABUGVTRMY-DLBZAZTESA-N 261.453 4.635 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C[C@@H]2CCCC23CC3)CC1 2266704018 RTNOYOHMMIQDER-ZBFHGGJFSA-N 260.421 4.908 30 10 CJEE CCC[C@@](O)(CC=CC#CC(C)(C)C)[C@@H]1CC1(C)C 2268736741 NWFTUMLMGLPUNV-CRAIPNDOSA-N 262.437 4.560 30 10 CJEE CCCCCCCC(=O)c1ccc(OC)c(C)c1C 2269101758 QKOQKEPWNKDLOV-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE C[C@@H]1C[C@@H]1CCCCCC1(C=O)CCC(F)(F)CC1 2269472461 XTTOQWLUZPKKLA-KGLIPLIRSA-N 272.379 4.988 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)CCC1CC(F)C1 2270170909 ZGNXXKBCWVNNMC-ZOJXTTQQSA-N 289.460 4.698 30 10 CJEE C=CCCCCCOc1cc(C)c(Cl)cc1C(C)=O 2270972968 GSDGVKVWSIVDKW-UHFFFAOYSA-N 280.795 4.976 30 10 CJEE C=CCCCSc1ccc(CN[C@H](C)CC)c(C)c1 2271584217 AYIKOQVVLVJUHG-OAHLLOKOSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCC[C@@H](O)c1cccc2c1CCCC2 2271784459 GDUSKHWCPMFFAI-GOSISDBHSA-N 258.405 4.735 30 10 CJEE C=C(C)CCCC[C@H]1CCC(F)(F)CC[C@H]1NCC 2271791702 OAQDUHMARXLTHO-LSDHHAIUSA-N 273.411 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1(C)CC(F)(F)C1 2271839352 PKVDXTWTSOEOAZ-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C#Cc1ccc(NCC[C@H](C)CCCC(C)C)cc1 2272296130 DJYHBRQBJYSVKA-MRXNPFEDSA-N 257.421 4.932 30 10 CJEE C=C[C@H](C)CCN[C@H](c1ccco1)c1ccc(Cl)s1 2273032679 WVXHOIGHGTZOJX-XHDPSFHLSA-N 295.835 4.886 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1cccc2ccccc12 2273036526 ZBEYYNLOTKHFDY-LSDHHAIUSA-N 253.389 4.703 30 10 CJEE C=CCCCC[C@](C)(CCCCCCC)OCCN 2276499850 YXABORKVRQGOPI-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1C[C@H]1C)OCCN 2276834464 HBZRUWYSYMMOLH-BRWVUGGUSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1cc(C)cs1 2276913158 MDWRRXURMGDDQY-OAHLLOKOSA-N 283.481 4.824 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](CCC)OC 2278235197 BWISHTTXFCOXTK-SJORKVTESA-N 271.489 4.920 30 10 CJEE C#CCCCC[C@@H](C[C@@H]1CCCCC12CC2)NCCC 2279521888 MDHNQVDWNLCLGB-ROUUACIJSA-N 275.480 4.909 30 10 CJEE CC1CC2(C1)CC([C@@]1(C#N)CCCc3ccccc31)C2 2280399527 VRYFPYBYAUFYFH-FAQOJWHQSA-N 265.400 4.611 30 10 CJEE Cc1cc(N[C@H]2CCCC(F)(F)CC2)cc(C)c1C#N 2280569125 SJUGLGPLIFTMHJ-ZDUSSCGKSA-N 278.346 4.555 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1cc(C)oc1C 2284162150 ZRROLHBREMNHEB-QGZVFWFLSA-N 273.420 4.543 30 10 CJEE CO[C@@H]1C[C@](C#N)(CCCCC[C@H]2C[C@H]2C)C12CCC2 2284943851 AGRBOPSZEXVRCE-TWMKSMIVSA-N 275.436 4.692 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)O)c(C)c1 2285176172 NRUVKFBQEVIKGT-INIZCTEOSA-N 277.452 4.845 30 10 CJEE Cc1cc2sccc2c([C@]2(C#N)CCCC(C)(C)C2)n1 2286125580 DWCGZMQLBYSNTF-QGZVFWFLSA-N 284.428 4.966 30 10 CJEE C=CCCCCCCCSC[C@](C#N)(CC)NCCC 2287096357 KBQOANFNHYDASM-QGZVFWFLSA-N 296.524 4.918 30 10 CJEE CCCN[C@@](C#N)(CC)CCCSC1CC2(CCC2)C1 2288953450 OSJPCKXJPQUKDA-KRWDZBQOSA-N 294.508 4.504 30 10 CJEE C=C1CC([C@H](NCC)c2cccc(C3CCCC3)c2)C1 2289280227 CSQOWDXQAQNOII-LJQANCHMSA-N 269.432 4.961 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C1CC2(CCCCC2)C1 2289773744 BOWUTZUCOGEPMN-SFHVURJKSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@](CC)(OCC(=O)O)C1CC1 2290564767 JBVQCPUOHDIVMV-KRWDZBQOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@]1(OCCC(=O)O)CCCC1(C)C 2290914042 FJINDJWFXOVEHT-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=C(C)CC[C@]1(OCCC(=O)O)CCCCC[C@H]1CC 2291451524 BFEMABCOMKJSCV-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)C1=CCCCC1 2291862356 JKPYABLYPXLEAZ-KRWDZBQOSA-N 282.424 4.707 30 10 CJEE C=CCCCCCC[C@@](CC)(OCCN)[C@H]1CC1(C)C 2292796121 FUJKGEPHOOWWLY-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(OCCCN)C1(F)CC1 2293702256 HDWMGIYUYGEREK-INIZCTEOSA-N 287.463 4.753 30 10 CJEE CCCCCCC[C@H](OCCN)c1cc(C)ccc1F 2293765857 WGPCBHYGTQVUOX-KRWDZBQOSA-N 281.415 4.511 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1coc(C)c1 2294443527 FRTNSICAFHHKPE-KRWDZBQOSA-N 281.440 4.745 30 10 CJEE CCCCCCCC[C@@H](CCCC(F)F)OCCCN 2294514757 YYYZAENYDGDMEN-HNNXBMFYSA-N 293.442 4.906 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(CC)[C@@H](C)CC 2295528763 HLFTVBLSMBQNEC-ROUUACIJSA-N 284.532 4.965 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1nc(C)ccc1F 2295577819 AWKTXTXNBQRBSG-QGZVFWFLSA-N 280.431 4.844 30 10 CJEE CC#CCCCC(=O)[C@@](C)(O)CCCCCCCCC 2295604386 WOOAMEGKYZZNGH-SFHVURJKSA-N 280.452 4.641 30 10 CJEE Cc1cc(C)c(C=CC(=O)c2cccs2)c(C)c1 2297311663 SFFZQXNPBRCFJJ-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE C[C@@H]1CCC[C@@H]1[C@H](C#N)c1ccc(Cl)c(F)c1 2300102093 OENCLRMOZHKVRZ-ADEWGFFLSA-N 251.732 4.522 30 10 CJEE Cc1ccc(CSC[C@](C)(CS)C(C)(C)C)o1 2307226933 KPGNPJOTSHJSDQ-AWEZNQCLSA-N 272.479 4.803 30 10 CJEE C=CCC(C)(C)[C@H](O)c1c(Cl)cc(C)cc1Cl 2307606368 OXPQZVBVRAHVBF-CYBMUJFWSA-N 273.203 4.938 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@](C)(CC)CC[C@H]1NCC 2313524601 NBAZKRBWHVXBLU-JJXSEGSLSA-N 269.498 4.631 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(CC)s1 2316739930 WOUSYJTUYGOOEC-MRXNPFEDSA-N 263.450 4.730 30 10 CJEE C=CCC(CC=C)[C@H](CCC(C)(C)C)NCCC 2316745868 BNKPHFRDXHUIEX-INIZCTEOSA-N 251.458 4.949 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)[C@H]1CCCC(C)(C)C1 2321096322 QPRUADOJDSMCFY-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CCCC(C)(C)C1 2321225996 SFVCPQCRAGDBRE-INMHGKMJSA-N 252.442 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(Cl)cc1C 2321229604 XKDCOOJBNSXITG-JKSUJKDBSA-N 266.812 4.544 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@]1(C)CCCC1(F)F 2321237391 MFHLTRFTZPQKIR-IHRRRGAJSA-N 260.368 4.555 30 10 CJEE CCCCCCC[C@@H](O)C12CC(CC(F)F)(C1)C2 2321536590 BUBPYKSLLPJSCM-LRVUVFPRSA-N 260.368 4.533 30 10 CJEE Cc1ccc(NN=Cc2ccc(OC(C)C)cc2)cc1C 2322922620 HGYVIQLSMRAZPO-UHFFFAOYSA-N 282.387 4.537 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2325224690 YLLFPFCPHZQRAI-XPTSAGLGSA-N 288.193 4.749 30 10 CJEE CC1(C)CC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2325239625 KUMKLJXHIGJCNM-AWEZNQCLSA-N 289.177 4.680 30 10 CJEE CCc1ccc(C(=NOCc2cccc(F)c2)C2CC2)cc1 2330303128 DJVNLHXMRKWVLQ-UHFFFAOYSA-N 297.373 4.719 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2333166649 OONFYSSXIMZIDI-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE C=CCC(CC=C)SCc1cc(C)cnc1NCC 2335100046 ZWSGBYOMCBJXOV-UHFFFAOYSA-N 276.449 4.576 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@](C)(CC)C(F)F 2336599231 HFXWRUVRZHIXTF-HOCLYGCPSA-N 273.411 4.620 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@](C)(CC)C(F)F 2336606114 UAXKODDKXRXZRD-GOEBONIOSA-N 273.411 4.620 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1 2337106928 NJUFPAFZHCKJHO-WKULXVSPSA-N 261.453 4.680 30 10 CJEE CCCCCCC[C@@H](CC=C(C)CC)OCCCN 2338449801 QLDMILSMCRMLCT-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CC[C@@H](CC)C1 2338735836 ORZGAXCYRXNXGK-NJAFHUGGSA-N 263.469 4.949 30 10 CJEE CCCCCCCCC(=O)[C@@](C)(O)C1(Cl)CCCC1 2340707406 UQAIBWXJMDTOHK-OAHLLOKOSA-N 288.859 4.609 30 10 CJEE C[C@H]1C[C@](C#N)(CCCC2=CCCCC2)C[C@@H](C)O1 2341049451 ZEOBRHUTJRASNM-QLPKVWCKSA-N 261.409 4.754 30 10 CJEE C#Cc1c(F)cc(N[C@@H](CC)CCC(C)C)cc1F 2344192957 GFFGGKZWKSHZTM-LBPRGKRZSA-N 265.347 4.573 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(F)c(F)c1 2344341759 DYMFLGAVOHBOFG-HZPDHXFCSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccccc1C1(C)CC1 2344385515 PYSRDQCIROIPCP-RHSMWYFYSA-N 257.421 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc2c1CCCC2 2344477195 RMDKUAWNLVNQOX-ZWKOTPCHSA-N 258.405 4.591 30 10 CJEE C[C@@H]1C[C@@H]1CCCCN(C)C[C@](C)(CS)C(C)(C)C 2352077761 GGJURFQLRJYFQQ-HLLBOEOZSA-N 285.541 4.727 30 10 CJEE CC(C)(C)[C@](C)(CS)COC(CC1CC1)CC1CC1 2352175391 YCNTZAJNTSNGLP-KRWDZBQOSA-N 284.509 4.954 30 10 CJEE CCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2357718631 XJGPZWLIGBVSNV-IPMKNSEASA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H]1CC[C@@H](CC)O1 2358323410 LZMJRLDAZJYZKD-KZNAEPCWSA-N 281.484 4.968 30 10 CJEE C#CCCC[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2360217763 RLJNSRBLMPMMHI-INIZCTEOSA-N 293.838 4.501 30 10 CJEE CCCCCCCCCCOc1ccc(N)cc1OC 2018824 SRXKJCBJURRJSR-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CC(C)c1ccc(SCCOc2cccc(C#N)c2)cc1 37143584 DVYVRTBCKMHKIZ-UHFFFAOYSA-N 297.423 4.853 30 10 CJEE COc1ccc([C@H](C#N)CCCc2ccccc2)cc1Cl 57696792 DWLFNINBMPYHCO-INIZCTEOSA-N 299.801 4.979 30 10 CJEE CCCCCC[C@H](C)CC(=O)[C@H](C#N)c1nc(C)cs1 70031185 FKKLIFMPSXOHID-JSGCOSHPSA-N 292.448 4.624 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc(Cl)cc1F 71277501 OLOQXPSIERKNQJ-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CCCc1oc(-c2ccc(C)c(Cl)c2)cc1CC#N 77081189 GGEZIEYFRHCJHL-UHFFFAOYSA-N 273.763 4.927 30 10 CJEE CCCCCCCCC[C@@](C)(O)CCNCC(C)C 91503300 SRKLEZZEJBMKQG-QGZVFWFLSA-N 271.489 4.514 30 10 CJEE SCC1(CN2CCC[C@@H]3CCC[C@@H]32)CCCCCC1 94577886 AQHSNQALYJLFDC-HOTGVXAUSA-N 281.509 4.521 30 10 CJEE CCCCCC(C)(C)CN[C@@H]1CCCCC[C@@H]1C#N 94987686 UJNIMABDDPUHTH-HZPDHXFCSA-N 264.457 4.655 30 10 CJEE CCCCCCCc1ccc(/C(C)=C\C(=O)O)cc1 103310744 NDKSRUPCDJRIFZ-YPKPFQOOSA-N 260.377 4.687 30 10 CJEE CCCCCCCn1cc(C#N)c2cccc(C)c21 107047033 CQSZYGWQFQAYGV-UHFFFAOYSA-N 254.377 4.792 30 10 CJEE Cc1cc(Nc2ccc(C(F)(F)F)cc2C#N)ccc1F 110258225 HBOQEEPJSANODM-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CC(C)CN(CC(C)C)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110263433 LJOOSEFZOGQORM-SQNIBIBYSA-N 292.511 4.955 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(N(C)C)cc1 114873586 KLFKUAXAJZMQIW-QGZVFWFLSA-N 263.425 4.537 30 10 CJEE CCCCCCCCc1nnc([C@H](CC)NCCC)s1 116086169 NSMHYPONBRIOHJ-AWEZNQCLSA-N 297.512 4.892 30 10 CJEE CCCCCCC[C@H](Cc1ncccc1C)NCCC 117689520 PQRGPIAYQKZTJF-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE CCCCCCCCCCNc1nsnc1Cl 124885272 USPLLUVJYISFLS-UHFFFAOYSA-N 275.849 4.744 30 10 CJEE CCCCCCCC[C@H](CSc1ccc(F)cc1)NN 126930991 ULMNOOXOFOABPS-OAHLLOKOSA-N 298.471 4.500 30 10 CJEE CCCCCCC[C@H](CNC1CC1)C1CCCC1 128286601 NTZLRTLVHGKXNY-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCN[C@H]1CCCc2c1cnn2C 129219028 WDPJCNFETXVGDT-KRWDZBQOSA-N 291.483 4.528 30 10 CJEE C#CCCC[C@@H](NCC)C(CC)(CC)c1ccccc1 134027173 KHPHCCDGNJOAMI-GOSISDBHSA-N 271.448 4.526 30 10 CJEE CCSc1cccc(Nc2cc(C)ccc2OC)c1C#N 136609245 NRQKTDRPXBPERD-UHFFFAOYSA-N 298.411 4.731 30 10 CJEE CCSc1cccc(N(C)[C@@H]2CCCC[C@@H]2C)c1C#N 136648213 GHOBDFXKEFERQJ-DZGCQCFKSA-N 288.460 4.685 30 10 CJEE CCCCCCC[C@H](CCc1cccc(C)c1)NC 139634793 JVZUXGSZADPBBO-GOSISDBHSA-N 261.453 4.876 30 10 CJEE Cc1cc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c(C)n1 156547355 VDJPHEMDNPPXGX-UHFFFAOYSA-N 279.387 4.611 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H](OCC)C1CCCCC1 164783293 PPLSABYYJRCWRV-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=CCC[C@H](NCC)c1cc2c(s1)CCCCC2 167763153 NQLJCQYFYSXVCH-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CC#CCC[C@@H](NCC)C1(c2ccccc2)CCCCC1 168133780 IZJWVIPASBZMJU-LJQANCHMSA-N 283.459 4.670 30 10 CJEE CC(C)[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 168279050 KGEGSUZGOFFJDH-KRWDZBQOSA-N 268.335 4.507 30 10 CJEE C=CCOc1ccc(/C=C(/CNCC(C)C)C(C)C)cc1 212363566 JXPDKMFPEGCQJD-PDGQHHTCSA-N 287.447 4.536 30 10 CJEE C[C@@H]1CCCC[C@H]1N[C@@H](C#N)c1ccc(Cl)cc1Cl 219584310 SXBBAHHTJKOSMJ-KMUNFCNLSA-N 297.229 4.726 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](n2ccnc2-c2cccs2)C1 222641077 SPSUUTHTHKGEHA-MCIONIFRSA-N 285.416 4.503 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccc(CC)cn1)NC 228716086 QQZSMPFUXCWMIO-SFHVURJKSA-N 290.495 4.915 30 10 CJEE C=CC[C@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 228821569 WMQXKBLDTHICFQ-LRLNFDJXSA-N 261.453 4.537 30 10 CJEE C=C(CC)C[C@H](NCCC)c1c(F)ccc(C)c1F 229757176 QYYPBUICGRJVKL-AWEZNQCLSA-N 267.363 4.670 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@H]1CNC(C)C 232950846 IEFUBABKSCEZHP-DLBZAZTESA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@H](NCC)c1sc(C)nc1C 233547781 QCOLATHJVGLSPY-AWEZNQCLSA-N 266.454 4.547 30 10 CJEE C=CCCCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 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4.611 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](O)CCC1(C)C 2207428593 YLPKEFPSKLSAQC-KRWDZBQOSA-N 281.484 4.529 30 10 CJEE C=CCCCCCCCCC[C@@H](O)c1ccnn1CC 2207431659 HNTJCRKFNNJNJT-QGZVFWFLSA-N 278.440 4.633 30 10 CJEE CCCCCCCC[C@H](CN)N1CCC[C@@H](CC)CC1 2207443988 FTPBJIUTOQFVHE-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE C=CCCCCCCCCC[C@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@H]([C@H]23)[C@@H]41 2208404952 HTSXNBAYKJIBTD-KTMCWGTLSA-N 274.448 4.556 30 10 CJEE CCCCCCCCNC[C@H]1CC[C@H]1C(F)(F)F 2217684815 JKLHTJUOZPAUTE-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE C=CCCCCCCC[C@]1(CNC)CCCSC1 2220094090 UPQBXLBAHMCXKA-MRXNPFEDSA-N 269.498 4.636 30 10 CJEE CC1(C)CC(C)(C[C@@]2(C=O)CCCCC2(C)C)C1 2221014976 UUGXYBODTKKBLQ-QGZVFWFLSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCOCC(=O)C[C@H](C)CC 2223263115 BJAPLEVFRMDWHQ-OAHLLOKOSA-N 256.430 4.759 30 10 CJEE CCCCCCCC[C@@](C)(C#N)N1CCCCC1 2223798911 GQYQIXXRTQOOKO-INIZCTEOSA-N 250.430 4.505 30 10 CJEE C=CCCCCCCCNCC1C[C@H]2CCC[C@@H]2C1 2227268022 LPGUOGVSSIGGKS-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE CCCCCCC[C@]1(CN[C@@H](C)CC)CCCCO1 2231580917 XJQIKVMXISILIR-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H]1CC[C@H]1OC 2231898248 GAPDBGJUJQVJJA-ZACQAIPSSA-N 270.457 4.693 30 10 CJEE CCCCCCCC[C@](C)(O)C1CCC(OC)CC1 2231900060 KBJRUXOCKCMCIO-JCYILVPMSA-N 270.457 4.693 30 10 CJEE CCCC[C@](C=O)(CC)Cc1coc2ccccc12 2232382540 WINWMHBOEBGMSH-QGZVFWFLSA-N 258.361 4.761 30 10 CJEE CN(CCCCCC1CC1)[C@@H](CC#N)c1ccccc1 2234087071 ZNZDZSSCPHVXOW-SFHVURJKSA-N 270.420 4.544 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CCCN)C1 2234185587 IWDMLZRGXJQIMV-GOSISDBHSA-N 282.516 4.578 30 10 CJEE C#CC[C@@H](CSc1nc(-c2ccccc2)cs1)C1CC1 2234271030 JJBOMWZVSVOCGN-HNNXBMFYSA-N 299.464 4.952 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1sc2ccccc2c1C 2234701226 BFWADGASLLSKRA-GJZGRUSLSA-N 285.456 4.908 30 10 CJEE C=CCCCCCCC[C@H](N)[C@](C)(O)c1ccc(C)s1 2235520832 DDHKCSCCSLBTMH-RDJZCZTQSA-N 295.492 4.508 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@](C)(O)C(C)(C)C 2235521088 GAUYHPSPIYOHJJ-WMZOPIPTSA-N 283.500 4.678 30 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C=C[C@](C)(CN[C@H](C)CC)CC1(COC)CCCCC1 2240143109 ZPQADEGACLCVHK-SJORKVTESA-N 281.484 4.554 30 10 CJEE C=CC[C@@H](CNC1CCC1)C[C@]1(C)CCCCC1(F)F 2240199242 CNFIUAVJFQRZSE-ZBFHGGJFSA-N 285.422 4.927 30 10 CJEE CCCCCCCC[C@@](C)(N)C#Cc1ccc(C)cc1 2240628594 YVIOMZAKZWXOMD-LJQANCHMSA-N 271.448 4.815 30 10 CJEE C=C(C)CCCC[C@@H](O)c1c(Cl)cncc1Cl 2250154214 SZCOGSKELVKOJA-GFCCVEGCSA-N 274.191 4.558 30 10 CJEE C=C(C)CCCCc1c(OC)ccc(Cl)c1F 2250166134 DRNKWXLZQSYURY-UHFFFAOYSA-N 256.748 4.777 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2251430953 VOYUYLLZDBSHEU-LLVKDONJSA-N 289.227 4.672 30 10 CJEE C=C1CCC(C[C@@H](N)c2csc(C3CC3)c2)CC1 2256063017 TUSIYAWXQRQPTA-OAHLLOKOSA-N 261.434 4.762 30 10 CJEE CCCCCCCCCN[C@H](C)[C@@H]1CC12CCC2 2256482309 FZWOKBHYUITQJR-CVEARBPZSA-N 251.458 4.905 30 10 CJEE CO[C@H](CSC[C@@H](CS)C(C)(C)C)C1CCCC1 2256662118 ZBXVOLCYEPIEHT-ZIAGYGMSSA-N 290.538 4.517 30 10 CJEE CC[C@H]1CC=C(C(=O)c2csc(Cl)c2OC)CC1 2256867494 RZJCTMQTXXDUNR-VIFPVBQESA-N 284.808 4.729 30 10 CJEE C=C(C)CCCCN(C)Cc1ccccc1SC 2259178260 GBOVDRWORBETBY-UHFFFAOYSA-N 263.450 4.587 30 10 CJEE C=C(C)CCCC[C@@H](CCCC(F)(F)F)NCC 2259210146 FVILUBAFKOJVLJ-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE Cc1ccc(COCCCCCCCS)cc1C 2263147421 JYKWMEMTBZIBIW-UHFFFAOYSA-N 266.450 4.700 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC2C[C@@H]3C1[C@@H]3C2 2264495354 COMZAPLESJZOMM-RGUZKJPTSA-N 263.469 4.713 30 10 CJEE CCCCCCC[C@@H](NC)c1ncc(C(C)(F)F)s1 2264523643 GHSFUNZATAEGOH-LLVKDONJSA-N 290.423 4.876 30 10 CJEE CCCCCCCC[C@H](O)c1c(C)cc(N)cc1C 2265864471 ODBLUWSUCJHNFO-INIZCTEOSA-N 263.425 4.670 30 10 CJEE C=CCCCCCC[C@H](N)c1cccc(OC)c1Cl 2268072815 QKCDPCUZRUZOQB-AWEZNQCLSA-N 281.827 4.875 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(F)ccc1Cl 2268126213 FBRVPISFVYKLJM-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCc1ccc(C[C@]2(C#N)CCCC[C@@H]2C)cc1 2268250388 IBVHWRNLSRYNIB-YJBOKZPZSA-N 255.405 4.902 30 10 CJEE CCCCCCCCN(C)Cc1ccccc1NC 2271325736 UCOJYBALPHUGOJ-UHFFFAOYSA-N 262.441 4.521 30 10 CJEE C=CCCCCCCCSc1ccc([C@@H](C)N)cn1 2271500488 AYUJCHOWYXSITA-CQSZACIVSA-N 278.465 4.720 30 10 CJEE C=CCCCCCCCSC[C@](C)(C#N)NC(C)C 2271517748 ZQOWBVYMZLSUNZ-INIZCTEOSA-N 282.497 4.526 30 10 CJEE C=C(C)CCCCN(C)[C@H]1CCCc2ccccc21 2271759208 SPEVBPPCHREZKW-SFHVURJKSA-N 257.421 4.742 30 10 CJEE C=C(C)CCCC[C@H](Cc1cc(C)cc(C)c1)NC 2271786054 SLMPCKKQNCJLFV-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1cccc(C#N)c1 2272297318 JJXKTJGKWMKKNE-OAHLLOKOSA-N 258.409 4.823 30 10 CJEE C#CC[C@H]1CCCCN1CC[C@@H](C)CCCC(C)C 2272304055 UWUYQGIFNXMLSB-ROUUACIJSA-N 263.469 4.717 30 10 CJEE CC(C)CCC[C@@H](C)CCNCc1ccc(C#N)s1 2272348996 VIUBUYLCPZPRME-CQSZACIVSA-N 278.465 4.562 30 10 CJEE C=C[C@H](C)CCNCc1cccc(SC(F)(F)F)c1 2273024559 CQGRACPOQPTULR-NSHDSACASA-N 289.366 4.600 30 10 CJEE CSCC1(C[C@]2(C#N)CCCC2(C)C)CC(F)(F)C1 2273945351 XZEUGYJUMBUSGU-AWEZNQCLSA-N 287.419 4.875 30 10 CJEE CN[C@H](C#CC1CCCCC1)CCC1CCCCC1 2274074011 QVAFUOLKWHRGTI-SFHVURJKSA-N 261.453 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2274118338 QQKSGIGMUVGGMN-OAHLLOKOSA-N 295.879 4.944 30 10 CJEE CCCCCCC[C@H](CC#CC1CCCC1)NCC 2274119416 CXBLGRXQRLBUMX-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@H](O)CC#CC2CCCC2)CC1 2274132981 UTHMTNZOMPITLP-NJAFHUGGSA-N 262.437 4.538 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CCC[C@H]1CC 2276795157 BSEDJGCRCSUALU-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C2(C)CC2)CO1 2278127254 MFRKEACOYNVSMB-DOTOQJQBSA-N 267.457 4.632 30 10 CJEE C=C[C@H](C)CCN[C@H](c1ccccc1)C1CCCC1 2278286957 YJSRXAHIWJQKDP-MAUKXSAKSA-N 257.421 4.720 30 10 CJEE Cc1cc(N[C@@H]2CC(C)(C)CC[C@H]2C)cc(C)c1C#N 2280564791 WQIATSMTSVLOQY-SJKOYZFVSA-N 270.420 4.802 30 10 CJEE CC(C)[C@H]1CCC[C@@](O)(CC=CC#CC(C)(C)C)CC1 2284075851 IBEWLMJFWNEZJL-HKUYNNGSSA-N 276.464 4.950 30 10 CJEE CCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC=CC#CC(C)(C)C 2284087298 BZADMDUSKHCAOL-OKZBNKHCSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@H]1CCCc2sccc21 2284129338 MQTSIKTWQKDFEJ-GOEBONIOSA-N 288.456 4.525 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)CC(C)(C)C(F)(F)F 2284170067 NRQHRIMDQWRIOQ-ZDUSSCGKSA-N 289.385 4.549 30 10 CJEE C=C(C)CCCC[C@H](NN)[C@H]1C[C@@H]1C1CCCCCC1 2287373535 WMGXMMIIBCPXLP-SQNIBIBYSA-N 278.484 4.561 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCCC[C@H]1C(C)(C)C 2287468980 AXFZXVCRUKKLAN-YJBOKZPZSA-N 280.452 4.659 30 10 CJEE CCN[C@H](C#CC1CCCC1)C1CC2(CCCCC2)C1 2289773743 BOWUTZUCOGEPMN-GOSISDBHSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cc(F)ccc1Cl 2289882197 OGHBAXYXCYXGMX-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CNC[C@@]1(CC#CC2CCCC2)CCCC(C)(C)CC1 2289899669 SXPRNADZHGVUBA-IBGZPJMESA-N 275.480 4.766 30 10 CJEE CCCCCCCC[C@@H]1NC2(CO1)CC(C(C)(C)C)C2 2289989359 INEJNZPMCQHHML-UPTPFMHGSA-N 281.484 4.878 30 10 CJEE CCCCCCCC[C@@]1(OCCC(=O)O)CCC[C@H]1C 2290623688 GZPZWPONYPTXCN-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)[C@H]1C[C@@H]1CC 2290639353 XRQVRUURSQEWBW-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCCC1(OCC(=O)O)CC(C)C1 2291307093 OYFBSUGUHJQPQW-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCCC[C@](C)(OCCN)C1CC1 2292567869 JESKOFIWBHZAJH-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C[C@@]1(c2ccccc2)CCN(CCCCCCCS)C1 2294776760 LQYFTLOPJCMKJW-GOSISDBHSA-N 291.504 4.530 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@H](CN)CC[C@H]1C 2295533063 CVHVAMAZLMVLPA-KSZLIROESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](CN)C[C@@H]1C 2295540613 JAZSUIMMIMPFCZ-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE Cc1ccccc1C=C1CC[C@H](C2CCCC2)C1=O 2297334019 VERFDXWUHGZEQQ-QGZVFWFLSA-N 254.373 4.548 30 10 CJEE O=C(C=Cc1ccc(C(F)(F)F)cc1)c1cccs1 2297550843 FCEHZESLNMUDKA-UHFFFAOYSA-N 282.286 4.663 30 10 CJEE C=C(C)CCC(=O)CCc1cc(Cl)cc(Cl)c1 2302388565 ZROUQNRFJYVHDP-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE CCC[C@@H](CS)COC[C@H]1C[C@H]2CCC[C@H]1CC2 2316870886 VMCCTDXSLFMFON-XUWVNRHRSA-N 270.482 4.566 30 10 CJEE C[C@@H]1[C@@H]([C@]2(C=O)CCCC(C)(C)CC2)CC1(C)C 2318254225 KKLKXVROSRONFA-JKIFEVAISA-N 250.426 4.844 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(C)cc1SC 2319571950 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30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1 2337104206 NBWWGZVMLBKDMD-BXUZGUMPSA-N 269.310 4.862 30 10 CJEE CC#CCCCCC(=O)c1cc(F)ccc1C(F)F 2338314456 BYNNRMAXDLKBNF-UHFFFAOYSA-N 268.278 4.530 30 10 CJEE C=CCC(CC=C)NC[C@@H]1C[C@@H]2CCCCCC[C@H]21 2338727455 LCZCXQKQNSMIOC-XYJFISCASA-N 261.453 4.703 30 10 CJEE C=CCSc1ccc(CNCC(C)C)c(C2CC2)c1 2339159646 GMHVQYHWTQGTPI-UHFFFAOYSA-N 275.461 4.588 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(F)c(C)c1C 2340914514 YMDRZZVNJBJORT-SWLSCSKDSA-N 263.400 4.838 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1csc(COCC)c1 2344347286 AJJBUQDGAGLQCO-HZPDHXFCSA-N 281.465 4.538 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@]1(C)CCCCC1(F)F 2344472560 BUFYKSZLYDOUHD-KKUMJFAQSA-N 274.395 4.945 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C)ccc1C(C)C 2352931215 WPJXTJYOLYVQRG-CRAIPNDOSA-N 259.437 4.981 30 10 CJEE CC(C)C[C@H](CS)CO[C@@H]1CCC[C@H]2CCCC[C@@H]21 2353829918 HCKLMHIYTCJPAY-VVLHAWIVSA-N 284.509 4.954 30 10 CJEE C(#CC1CCCCC1)CN[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354887223 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257.421 4.501 30 10 CJEE C=CCC[C@H](C)NCCc1cccc(-c2ccccc2)c1 1621455185 ADPCSWRSFDHFDZ-KRWDZBQOSA-N 279.427 4.840 30 10 CJEE C=CCN(Cc1ccc(C)c(C)c1)CC1CCCCC1 1641764103 BZLQHSGWMLSCCZ-UHFFFAOYSA-N 271.448 4.872 30 10 CJEE C=C[C@@H]1CCCCN1c1nc2c(F)cc(Cl)cc2s1 1651022843 NZPAZYMSDMRITB-SNVBAGLBSA-N 296.798 4.634 30 10 CJEE C=CCCCCCN(C)Cc1oc(-c2ccccc2)nc1C 1652546370 DABXJMYKUFLGMK-UHFFFAOYSA-N 298.430 4.828 30 10 CJEE C=CCCCN1CCc2c(Cl)cc(Cl)cc2[C@H]1C 1652688528 AILYOACJCMUGFT-LLVKDONJSA-N 284.230 4.879 30 10 CJEE CCC[C@H](CCc1ccccc1)Nc1ccc(CC#N)cc1 1658783085 ANLVZVSQXCEJBR-LJQANCHMSA-N 292.426 4.966 30 10 CJEE C=CC(C)(C)CCNCCc1ccc(C(C)C)cc1 1659721972 YEQKREWHYMTSIK-UHFFFAOYSA-N 259.437 4.544 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1 1660164918 OZTKRMNYFAJHLW-RXABAKJHSA-N 267.416 4.956 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(Cl)c(N(C)C)c1 1660749592 YMSGIMGCXRMWTP-ZDUSSCGKSA-N 280.843 4.953 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3C[C@H](C)CC(C)(C)C3)cc21 1660804479 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4.883 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H](CSC)C1 2051206801 SIOLQTGGKBBPRX-WKILWMFISA-N 271.514 4.858 30 10 CJEE C=CCCCCC[C@@]1(C(=O)O)CCCCC1(C)C 2053397840 PXKTVJGJWGQOHD-INIZCTEOSA-N 252.398 4.794 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@H](CF)CC1 2054638261 BEGXNTBMVXLVSD-JYJNAYRXSA-N 257.437 4.853 30 10 CJEE FC(F)Oc1cc(C(F)(F)F)c(C(F)F)cc1Cl 2054931841 CGPQQQJZKSQCLY-UHFFFAOYSA-N 296.569 4.898 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(Cl)ccc1F 2059112283 RXVSAAZPOWPFNB-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=CCCCC[C@@H](NCCC)c1nc(C)sc1C 2059117713 CZJAUZZZMKYUKK-CQSZACIVSA-N 266.454 4.547 30 10 CJEE CCC(CC)(CC)COCCCCC(C)(C)C#N 2061851944 FGSJFHTYIHFWTL-UHFFFAOYSA-N 253.430 4.939 30 10 CJEE CCCCCCC[C@@H](NC)[C@H]1C[C@@H]2CCC[C@@H]2C1 2063510394 OTYJYDQCALCSDQ-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1cccc(Cl)c1Cl 2064491648 BJHBGPLMGFOIAR-UONOGXRCSA-N 286.202 4.603 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@@H]1F)NCCC 2068074119 PHNUSJUBDVQMAX-OAGGEKHMSA-N 257.437 4.853 30 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4.913 30 10 CJEE C=CC1(CN[C@@H]2CCC[C@H](C(C)(C)C)CC2)CCC1 2111722792 PQWXIOCQAQQOMI-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE C#Cc1ccccc1CNc1cc(C)c(Cl)c(C)c1 2113846413 NXZRUTXNPSYWGR-UHFFFAOYSA-N 269.775 4.550 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCCCC12CCC2 2117076287 FECIASUPUMQSJT-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc2sncc2c1 2120653939 RPUSPOXJMJNKFJ-OAHLLOKOSA-N 274.433 4.693 30 10 CJEE C=CCCC(C)(C)CNCC1(C(F)(F)F)CCCC1 2121400541 GYDGVWHUAIFRCZ-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE O=C[C@@]1(C[C@@H](F)C2CCCCC2)CCCCC12CC2 2121595517 FFJPNXJTDCUVMP-WBVHZDCISA-N 266.400 4.834 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2[C@H]3CCC[C@H]23)C1 2121621180 GJWKOLJQCYOKMR-LFYQSXPISA-N 277.477 4.874 30 10 CJEE C=CCCCC[C@H](O)C1(c2ccccc2)CCCC1 2123118435 SPDSXSSSMXIRTR-KRWDZBQOSA-N 258.405 4.606 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)[C@@H]2C[C@H]2C(C)(F)F)CC1 2125194085 ODXQIVZKVMQCOC-JHJVBQTASA-N 270.363 4.619 30 10 CJEE C=C1CC([C@H](C[C@@H](C)c2ccccc2)NCCC)C1 2125661644 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293.442 4.906 30 10 CJEE C=C(CC)C[C@](C)(OCCCN)C1CCC(C)(C)CC1 2294157152 IPJYRAAHQFBLOW-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C[C@H]1C=CCCCC1)OCCN 2294378469 IZIBXLFVFGTKTM-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C[C@H](C)C[C@H](NC)c1ccccc1-c1ccccc1 2294685383 OIXYSSHOTMYBSY-KXBFYZLASA-N 265.400 4.826 30 10 CJEE C=C(Cl)Cn1c(CNC(C)(C)C)cc2cc(C)ccc21 2295318693 DZPLIAAKESZREV-UHFFFAOYSA-N 290.838 4.590 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cncn1C(C)C 2295597649 YCCAFQNHYFSAAJ-KRWDZBQOSA-N 279.472 4.779 30 10 CJEE CCN[C@H](C#CC1CCC1)c1scc(Cl)c1Cl 2300406382 RKKVOTYNNFLIIQ-LLVKDONJSA-N 288.243 4.509 30 10 CJEE CCCC[C@@H](CC)COC[C@H](CS)CC(C)C 2308054660 ZQMSOJYZYVPAFQ-HUUCEWRRSA-N 260.487 4.812 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@@H]2C[C@H]12 2312620997 LJNORSZKOWDYMV-LTIDMASMSA-N 251.458 4.891 30 10 CJEE C=C1CC(C[C@@H](NC)c2ccc(Cl)c(Cl)c2C)C1 2316948037 VFHGFIHTOSDMIX-CQSZACIVSA-N 284.230 4.919 30 10 CJEE CC#CCCCC[C@H](N)c1c(Cl)cc(F)cc1Cl 2318358261 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C=CCC(CC=C)[C@@H]1C[C@H](CCC)CC[C@@H]1C(=O)O 2338701614 FVJORGYBXPUCIU-KBMXLJTQSA-N 264.409 4.672 30 10 CJEE CC(C)c1ncccc1CC1(C#N)CCCCCC1 2342156467 GHEKRMDRTYOJPT-UHFFFAOYSA-N 256.393 4.612 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2343229351 MJPIGLIBHIWDQM-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE CCCCCCCCCNCCCc1csc(C)n1 2343872562 GTJFSCDBLVCGJY-UHFFFAOYSA-N 282.497 4.724 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCC 2344346095 PXRBATIISUJTHM-ATIWLJMLSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(C2CC2)c1 2344347613 CRDBLMLGXLJQNT-QZTJIDSGSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(OCCC)cc1 2344465035 XKAQXJCTHVMORO-IRXDYDNUSA-N 262.393 4.501 30 10 CJEE CC(C)c1cccc(Nc2ccc(C#N)cc2)c1F 2352955762 RZQANNOPQUMGKI-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CC1=CC(=O)[C@@H](CC2CCC(CC(F)(F)F)CC2)C1 2353124977 FUEFXBPSWRDQPL-WXRRBKDZSA-N 274.326 4.671 30 10 CJEE Cc1c(Cl)ccc([C@]2(C)CC[C@](C)(CC#N)O2)c1Cl 2353222302 LPFIEWPNLJJXIO-CABCVRRESA-N 298.213 5.000 30 10 CJEE C=C([C@H](N)C1CCC(CC(F)(F)F)CC1)[Si](C)(C)C 2353613328 PBCWMRMNKRVEDV-BPCQOVAHSA-N 293.449 4.506 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@@H]1CC[C@H](N)C1 2358078447 ZUXVTDUFIPUIQE-OKZBNKHCSA-N 283.500 4.786 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2360341859 AAKGGCRYLFPRQB-ARFHVFGLSA-N 276.420 4.657 30 10 CJEE N#Cc1cnc2ccccc2c1Sc1ccc(Cl)cc1 36913480 UVZFCHZJVPAKDD-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE N#Cc1ccc(Cl)cc1NC1CCCCCCC1 36954265 LADXCFUYYDOLHN-UHFFFAOYSA-N 262.784 4.736 30 10 CJEE CCCCCC[C@H](C)OCCOc1ccc(CC#N)cc1 37138617 QWQKANABZUBVSV-INIZCTEOSA-N 289.419 4.507 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 37306452 ZRCFOTDEPFCEMP-ABAIWWIYSA-N 297.320 4.925 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2OC)C1 41030589 ZMAYFULUOBVHFN-JJRVBVJISA-N 289.444 4.896 30 10 CJEE N#Cc1ccc([C@H](C#N)Cc2cccc3ccccc23)cc1 57739248 VPPZBNMNCJNJSE-IBGZPJMESA-N 282.346 4.561 30 10 CJEE Cc1cc2oc(CC#N)c(C(C)C)c2c(C)c1Cl 77071599 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292.716 4.663 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 250853804 FGDUPAFEUYRQSE-SOUVJXGZSA-N 288.822 4.982 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1C[C@H]1c1ccccc1 252899330 HJNIKDLZVSBSTA-BZSNNMDCSA-N 260.421 4.902 30 10 CJEE COc1ccc(C=Nc2ccc(Cl)c(Cl)c2)cc1 254438773 FDCDCOWIYBPVKZ-UHFFFAOYSA-N 280.154 4.753 30 10 CJEE Cc1[nH]c2c(C3(C#N)CCCCC3)cccc2c1C 260226772 BADIISISHJWFDD-UHFFFAOYSA-N 252.361 4.510 30 10 CJEE CSc1cc(C)c(C)cc1C1(C#N)CCCCC1 260702513 VTSOMRHDOMQZRS-UHFFFAOYSA-N 259.418 4.751 30 10 CJEE C=CCCCNCc1cc(-c2cccs2)cs1 310211012 GMZAMISRUKKFEZ-UHFFFAOYSA-N 263.431 4.532 30 10 CJEE CCCCCCCCCC[C@@]1(C#N)CCCCN1 310712419 DCSUXIWVWBLEHO-INIZCTEOSA-N 250.430 4.553 30 10 CJEE CC1CCC(C=O)(C[C@H]2CSc3ccccc32)CC1 317186004 JQKJEZLLGPCYLE-UUCFBXCCSA-N 274.429 4.661 30 10 CJEE C=CCCCCC[C@]1(CNC(C)C)CCC[C@@H]1C 317724533 HKLTWZGNRUUUJW-DLBZAZTESA-N 251.458 4.927 30 10 CJEE CCC(CC)(CO)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 322145561 CNYXKWVABZWXFY-RBSFLKMASA-N 297.508 4.625 30 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C[C@@H]1Cc2c([nH]c3ccc(C(C)(C)C)cc23)[C@@H](C#N)C1 527397122 RXIZGLOCDHKMCF-NWDGAFQWSA-N 266.388 4.655 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)CC[C@H]1c1ccccc1 553507309 OPTQSTATVSNGSR-BQFCYCMXSA-N 285.431 4.589 30 10 CJEE C#CCCCCC[C@H](O)c1ccccc1C(C)(C)C 686676845 JGLZTMAEQLEWCX-KRWDZBQOSA-N 258.405 4.601 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(Cl)c1C 686708736 OPHQTHUOZXBWHP-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccsc1Cl 688008592 XTZHNTGTOQERAI-GWCFXTLKSA-N 253.798 4.664 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCOC(C)(C)C)C1 688309055 RYKQBANSJVDECD-UHFFFAOYSA-N 265.441 4.938 30 10 CJEE C=CCCc1c(O)c(Cl)cc(Br)c1Cl 688956480 AUYVJDHEPJPIRQ-UHFFFAOYSA-N 295.991 4.580 30 10 CJEE CC(C)[C@@H](CS)CN(C)Cc1cc2cscc2s1 693856952 OSTCBVUZOMANDZ-GFCCVEGCSA-N 299.530 4.597 30 10 CJEE CCCCCCCCCCCC(=O)CC#CCOC 699016553 PCAXFGWWTRNQDU-UHFFFAOYSA-N 266.425 4.516 30 10 CJEE CC1(C)CCN(C[C@H](CS)C(C)(C)C)CC(C)(C)C1 699666010 QIZBYEDSMRQAIQ-CQSZACIVSA-N 285.541 4.727 30 10 CJEE CCC(C)(C)CC(=O)[C@H](C#N)c1ccc(C(C)C)cc1 700293490 YEPBTTOGNDNZDN-MRXNPFEDSA-N 271.404 4.813 30 10 CJEE C=CC(C)(C)CCNCc1cccc2ccccc12 701869064 ZDINUCFWFYQUIZ-UHFFFAOYSA-N 253.389 4.532 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCc2cc(Cl)ccc21 703956325 ZETXORBOYVIKHH-INIZCTEOSA-N 277.839 4.909 30 10 CJEE Cc1cnccc1CC1(C#N)CCC(C(C)(C)C)CC1 705340385 FSYCZVZHFWBRQO-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE N#Cc1c(Cl)cccc1N1CC[C@H](C2CCCCC2)C1 708813455 GGJDEOCOVUJRLE-AWEZNQCLSA-N 288.822 4.618 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(F)F)cc1N 709368778 AQUQLWUMNOLZAF-FZMZJTMJSA-N 280.362 4.753 30 10 CJEE C[C@H]1c2sccc2CCN1CC1(CS)CCCCC1 711841937 INKWWYSGBPLEFP-ZDUSSCGKSA-N 295.517 4.548 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CCC[C@@H]2CCCC[C@H]21 714316801 UDACAOIONZBDGY-GVDBMIGSSA-N 276.468 4.655 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(OCCCC)cc1 715707526 XXDPJDAVXKDHLB-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE C=CC[C@@H](C)C(=O)Cc1c(C)cc(C(C)(C)C)cc1C 715738535 IZHZICICQLMDTD-CYBMUJFWSA-N 272.432 4.925 30 10 CJEE C=CCCC(C)(C)NCc1c(Cl)oc2ccccc12 717917965 DCQJOFKUJFQEFW-UHFFFAOYSA-N 277.795 4.921 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(OC)CCSC1 719557105 JGGQXAUUXPSDIB-INIZCTEOSA-N 286.481 4.608 30 10 CJEE C=C1CCC(CSc2cccc(CNCC)c2)CC1 724560681 YUQQJIZBMKVVAP-UHFFFAOYSA-N 275.461 4.635 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(C)ccc2F)CC1 724588814 LVHBQDQLHFBZFO-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE C=C1CCC(C[C@@H](N)C[C@H](C)CC(C)(C)C)CC1 724619123 VSYPLTFWMRABMA-HOCLYGCPSA-N 251.458 4.913 30 10 CJEE N#CCc1csc2ccc(C(F)F)c(C(F)(F)F)c12 725297643 TUVMVOHOSIPCCH-UHFFFAOYSA-N 291.244 4.924 30 10 CJEE Fc1ccc(CON=Cc2csc3ccccc23)cc1 758143808 WIDOVBOFXAVJGI-UHFFFAOYSA-N 285.343 4.591 30 10 CJEE C=C(CC)CSc1nc2c(n1-c1ccccc1)CCCC2 1165222075 KYGMYXROJWZRPD-UHFFFAOYSA-N 298.455 4.809 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 1183641605 DCCFAMCUVPQFLQ-VBSBHUPXSA-N 287.491 4.907 30 10 CJEE C=CCCCCOc1ccc2c(C(C)C)cc(=O)oc2c1 1188472678 ADDNSSHEALSEAM-UHFFFAOYSA-N 286.371 4.652 30 10 CJEE 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285.475 4.906 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@H](CC(C)C)C1)c1ccccc1 1525709005 DPCPJFIJECSSHI-MJGOQNOKSA-N 299.458 4.631 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 1540321897 FZKRINGPEPINTO-UHFFFAOYSA-N 277.367 4.648 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cccc(C(C)C)c1 1543938013 OXBCDOIZFBMKDZ-UHFFFAOYSA-N 273.420 4.532 30 10 CJEE CCCCCCCCCN(C)C[C@H]1C[C@@H]2C[C@@H]2C1 1559496593 QZYRNIJCQRSVBH-BJWYYQGGSA-N 251.458 4.715 30 10 CJEE C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](CC)CC1 1560337823 YSVBDDQXAAVDBN-SJLPKXTDSA-N 287.447 4.700 30 10 CJEE C#C[C@@H](NC1CCC(=C2CCC2)CC1)c1ccc(F)cc1 1560852303 FGICHRFSKVLZSM-LJQANCHMSA-N 283.390 4.513 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CCCCCC 1563478445 AAERWRXTWDTZSL-BBWFWOEESA-N 294.483 4.779 30 10 CJEE C=CC(C)(C)NC(=O)N[C@H](CC)c1cccc2ccccc12 1565364909 ZDHVHLICIZGQFC-QGZVFWFLSA-N 296.414 4.555 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](C=C)c2ccccc2)CCCC1(C)C 1568326549 JOKYMTOZNTYJBG-ZWKOTPCHSA-N 297.442 4.550 30 10 CJEE 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CC(C)C(C)(CN=C1NC2(CCCC2)CCS1)C(C)C 2283861975 VLNCZMULEIECDN-UHFFFAOYSA-N 296.524 4.700 30 10 CJEE CCCC[C@H](CCC)N=C1N[C@@]2(CS1)C[C@H]1CC[C@H]2C1 2283914803 XDPRWUCWLZXXPG-QBYUYEEZSA-N 294.508 4.597 30 10 CJEE C[C@H]1C[C@H]1CCCCCC1(C#N)Cc2ccccc2C1 2284970079 IBWQGPVQADBFQX-JKSUJKDBSA-N 267.416 4.902 30 10 CJEE C=CCCCCCCC[S@](=O)[C@H](C)c1cccc(N)c1 2287178664 QEIYSGLQMBANKQ-QRWLVFNGSA-N 293.476 4.605 30 10 CJEE C=CCCCCCCCSc1cc2[nH]ncc2cc1N 2287183364 UKQMRJLQGSALOT-UHFFFAOYSA-N 289.448 4.764 30 10 CJEE CCCCCCCCC[C@H](NN)c1csc(C)c1OC 2287257898 OXNYCNHSKJZPKS-HNNXBMFYSA-N 298.496 4.710 30 10 CJEE C=C(C)CCCC[C@H](N)C1(OCC)CCC(C)(C)CC1 2287407826 AHUPFWOREGETRM-INIZCTEOSA-N 281.484 4.826 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cccc(C(C)(F)F)n1 2287409869 ZZILNUBEMNOTTG-ZDUSSCGKSA-N 282.378 4.590 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CCCOC1(C)C 2287412461 DEMMJSIAQGMNAA-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=C(C)CCCC[C@H](N)c1ccc(C(F)(F)F)cc1F 2287417856 ADEUZANRJUQLRD-AWEZNQCLSA-N 289.316 4.981 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cccc2c1CCCC2 2287419442 GRPNAPHCRFOCGX-LJQANCHMSA-N 271.448 4.962 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@@H](C(C)(C)C)S1 2287882323 AWJQYMZXFOPNDV-GJZGRUSLSA-N 298.540 4.946 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1CC2 2289013445 NBTLKSFVZJIFBY-FGTMMUONSA-N 280.500 4.929 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CCCC[C@@H]1C(F)(F)F 2289757131 ROJYZGRPXKPVDT-KGLIPLIRSA-N 286.337 4.508 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)C[C@@H]1CCCC12CC2 2289790563 WZLUKCKKEMVYNY-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC1(C)CCC(C)(C)[C@](O)([C@]2(C#N)CCCC2(C)C)C1 2290266889 KHXNUMXWTXXZOK-ROUUACIJSA-N 277.452 4.674 30 10 CJEE C=C(C)CCCC[C@H](N)Cc1cccc(C(C)(C)C)c1 2290282628 HSNQQXYPNPRWJM-SFHVURJKSA-N 273.464 4.990 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H](C)C1)OCC(=O)O 2291013459 FUOFQXLKPZUXTP-ARFHVFGLSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1C=CCC1)OCC(=O)O 2291095644 OGHYYIVQLKNHKH-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCCN)C1CCC(C)CC1 2293058555 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CJEE C[C@@H]1CCC[C@](C#N)(CCC2(C(F)(F)F)CC2)C1 2321544348 HOBALUODMLNRBP-NEPJUHHUSA-N 259.315 4.829 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)[C@@H]1CC[C@H]1C(F)(F)F 2333450665 ICPXGOSQUHHFFZ-SYQHCUMBSA-N 277.374 4.545 30 10 CJEE C[C@H]1CC[C@H](CSCc2cccc(C#N)c2F)CC1 2335350907 BIGTXJCWBSUOPW-JOCQHMNTSA-N 277.408 4.757 30 10 CJEE CC[C@@](C#N)(Cc1cc(F)ccc1C(F)F)C(C)C 2338029513 JIBJILKENJLQKT-HNNXBMFYSA-N 269.310 4.882 30 10 CJEE C=CCCCCCN(C)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339371519 LZPJYWPEPURVDC-KURKYZTESA-N 261.453 4.657 30 10 CJEE C=C(C)C[C@@H](CCC=Cc1ccccc1)NCCC 2341931903 UNOHZBGKLAACSC-GOSISDBHSA-N 257.421 4.814 30 10 CJEE CC(C)(C#N)CCCCO[C@@H]1CCC2(CCCC2)C1 2343593834 HRGNDGJOWZVVDR-OAHLLOKOSA-N 263.425 4.836 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(C2(C)CC2)cc1 2344358902 WRJPATIKWRFABQ-INIZCTEOSA-N 257.421 4.601 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCC[C@@]2(C)CCC[C@@H]12 2352177264 VXXJDDRGPNRRAU-OIISXLGYSA-N 283.525 4.623 30 10 CJEE C=CCC(CC=C)S[C@](C)(CCC(C)(C)C)C(=O)O 2352211073 CCSUFIJQIWSOSU-MRXNPFEDSA-N 284.465 4.910 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(F)cc2SC)CC1 2353837787 KMGOLMCKUCETMK-HNNXBMFYSA-N 280.408 4.718 30 10 CJEE C=CCCCCCCCC(=O)[C@H]1OC[C@@H]2CCCC[C@H]12 2358666029 SELYBONZKICJOS-BQFCYCMXSA-N 278.436 4.677 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cccc(C#N)c2)cc1C 20565404 AWJONXHLFIDQKQ-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C#Cc1cccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 22153256 FDECSADLWYHCJI-OLMNPRSZSA-N 255.405 4.541 30 10 CJEE C=C1OC(=O)O[C@]1(C)CC/C=C(/C)CCC=C(C)C 32215314 PNAFHLHESBUDJC-IVOILVROSA-N 264.365 4.899 30 10 CJEE CC(C)c1ccc(/N=C2\NC[C@@H](c3ccccc3)S2)cc1 35082566 VNLSLWJMZWPJFG-KRWDZBQOSA-N 296.439 4.875 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 37937889 JYJZMOHMJYGQFL-DYVFJYSZSA-N 256.393 4.516 30 10 CJEE N#Cc1cccc(NCc2cc(-c3ccccc3)cs2)c1 38030711 KNXQKKWESRZPAO-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE CCc1c(-c2ccc(C(C)C)cc2)sc(C#N)c1N 44273878 CHAZAKFLZSRLRM-UHFFFAOYSA-N 270.401 4.555 30 10 CJEE Cc1ccc(C)c(OCC[C@](C)(C#N)c2ccccc2)c1 57687622 IQYLHFSVWPFPGL-LJQANCHMSA-N 279.383 4.554 30 10 CJEE N#CCCc1ccc2c(Cl)c(Cl)cc(Cl)c2n1 62672777 SZPUEQILQKYETG-UHFFFAOYSA-N 285.561 4.651 30 10 CJEE C=CCCCOc1c([C@H](C)NCC)ccc2ccccc12 71274410 PHNVFJLWPOKOLF-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE C=CCCC[C@H](Cc1ccc(C)c(C)c1)NCCC 71277241 NSRQECDXAOTTLK-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CC(C)(C)c1cc(C#N)c2cc(Cl)cc(Cl)c2n1 82467953 WKODAHIPQNLJIY-UHFFFAOYSA-N 279.170 4.711 30 10 CJEE C[C@H]1CC(Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)C1 84978432 KWRVKKQBRUSHCI-GHMZBOCLSA-N 296.336 4.814 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)CCCC(C)(C)C#N 87608704 QMQSDCSLKBUJBX-ZDUSSCGKSA-N 278.827 4.663 30 10 CJEE COc1ccc(Cl)cc1C[C@@]1(C#N)CCC[C@H](C)C1 87930509 UEEILFDBWNGYGU-BLLLJJGKSA-N 277.795 4.611 30 10 CJEE CCCC1CCC(C#N)(CCc2scnc2C)CC1 87959373 BXBAVLZKFWSDJE-UHFFFAOYSA-N 276.449 4.884 30 10 CJEE CC[C@H]1CCCCN1CC1(CS)CCCCCC1 94578987 BFRJXJDIGUVKSY-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE CC(C)(C)[C@@H](CS)CO[C@@H]1CCCc2ccccc21 94583796 GCDZTNYNKONCKI-GDBMZVCRSA-N 278.461 4.673 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(OC)cc1 103949616 JXCZWIUPQXNNNK-KRWDZBQOSA-N 263.425 4.620 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@]1(C#N)NC1CCCCCC1 110029402 PTEPYQHVVHIEBK-RYQLBKOJSA-N 276.468 4.653 30 10 CJEE CCCCCCCc1nc(C2CCCCC2)n(C)c1N 110057483 XUFPLAYILBWDSQ-UHFFFAOYSA-N 277.456 4.563 30 10 CJEE CCCCCCCCCCCCN(CCCN)C(C)C 110105430 NCRIGGVIVHHYKC-UHFFFAOYSA-N 284.532 4.967 30 10 CJEE CCCCc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 110163063 MHLWKROZRWSFEZ-AEFFLSMTSA-N 270.420 4.914 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(Cl)c(Cl)c2)c1 110252272 GUDJCMNGCALFLT-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCC1CCN([C@@H]2C[C@@H](CCC)CC[C@@H]2C#N)CC1 110265399 LBFQOPOARWZAKV-RCCFBDPRSA-N 276.468 4.607 30 10 CJEE CC[C@H](C)Oc1cccc(Nc2ccc(F)cc2C#N)c1 111036608 ZLCVWPOPNIGKKK-LBPRGKRZSA-N 284.334 4.618 30 10 CJEE CCCCCCCCN(CC)C1(CN)CCCCCC1 111610168 XPODHWKDHMDXGQ-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@@H]1[C@@H](C)CC 114068363 DOTSUWLAUOKHLH-ZWKOTPCHSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCCN1CCCN[C@@](C)(C2CC2)C1 114077575 WTYVTAIXYPKPDE-LJQANCHMSA-N 294.527 4.591 30 10 CJEE CCCCCCCCCC(=O)Cc1c(C)nn(C)c1Cl 122007516 OXVKCXUTRMURBD-UHFFFAOYSA-N 298.858 4.634 30 10 CJEE CCCCCCC[C@H](NN)C1CCC(C(F)(F)F)CC1 122316160 JPBXNTYYIKNDMO-RUXDESIVSA-N 294.405 4.548 30 10 CJEE CCCCCCCCCCN(CCC)CC(C)(C)CN 122591967 ISRMWEYFRIGILF-UHFFFAOYSA-N 284.532 4.824 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1COc2ccccc21 124816752 CBFPMWDTBBGTIM-QZTJIDSGSA-N 289.463 4.891 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1ccccc1 125668113 BVTZUYGLZBXSIR-OAHLLOKOSA-N 270.763 4.775 30 10 CJEE CCCCCCCOC[C@H](CS)c1ccccc1 127154931 JSARCTHUKHLTEX-MRXNPFEDSA-N 266.450 4.687 30 10 CJEE CCCCCCCOc1c(Cl)cccc1C[C@@H](C)N 128956143 PKBSJOKUSAYRMG-CYBMUJFWSA-N 283.843 4.579 30 10 CJEE CCCCCCCCOc1ccc([N+](=O)[O-])c(Cl)c1 134173488 SONMSPDDCIPUAU-UHFFFAOYSA-N 285.771 4.988 30 10 CJEE CCCCCCCCCCCCCc1nc(N)no1 145222638 ZWPCHESIQKVQMT-UHFFFAOYSA-N 267.417 4.505 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H]1CCCO1)NC 157842209 MDPPMKZIVYCLFP-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCNCc1c[nH]nc1-c1cccs1 159151986 VMKQQIBOTHGAMA-UHFFFAOYSA-N 291.464 4.588 30 10 CJEE CCCCCCCCCCC(=O)[C@](C)(CC)OC 160574723 GQMXIYYFKHTVPO-INIZCTEOSA-N 256.430 4.901 30 10 CJEE C=CC[C@H](NCCC)c1ccc(-c2ccccc2)cc1 161160599 SIYFDVCLJAZULS-IBGZPJMESA-N 265.400 4.970 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc(F)cc1C(F)(F)F 167150211 AKOTXNQAAYKUPO-CQSZACIVSA-N 294.251 4.521 30 10 CJEE N#Cc1cccc(Oc2cc(Cl)ccc2Cl)c1 216514059 HPJAVWSWXXHBEK-UHFFFAOYSA-N 264.111 4.657 30 10 CJEE CCCCCCCCCCCCSC(=O)NC 216751956 WXRKGTZKGXYCLB-UHFFFAOYSA-N 259.459 4.980 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3ccccc3[nH]2)C1 222250809 NGUIPDPCTFMXFS-WWGRRREGSA-N 299.443 4.764 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCCCCS 227281453 HTYLPPOEWPWXPW-PMPSAXMXSA-N 272.498 4.954 30 10 CJEE Cc1cccc(N[C@H]2CCC[C@H](CC(C)C)C2)c1C#N 232623614 QQXUPNVGXURYQI-CVEARBPZSA-N 270.420 4.884 30 10 CJEE CCCCCCCCC[C@H](C#N)N1CCCCCC1 232967621 GMGNIRGTBYQYPG-QGZVFWFLSA-N 264.457 4.895 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@@H](C)C2)c1C#N 233871776 QXGIDKIGRKPRES-ZIAGYGMSSA-N 288.460 4.908 30 10 CJEE CCCN(C1CC1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 252437085 TUTUKHMAAMOODQ-ZMSDIMECSA-N 276.468 4.605 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cc(C)ccc1C(C)=NO 252461359 FDQUZVZAGHLQBC-HOCLYGCPSA-N 275.392 4.541 30 10 CJEE CCCCCCCCN1C[C@H]2CCCCN2C[C@H]1C(C)C 252708064 ZATOIOOPMPDUSF-MOPGFXCFSA-N 294.527 4.542 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](C)CSC 306017420 PQFHAAWQNDXKBA-LSDHHAIUSA-N 260.487 4.877 30 10 CJEE C[C@H]1CC=C(C(=O)c2c(Cl)ccc(F)c2F)CC1 306039556 NACXZOYZPXGGQH-QMMMGPOBSA-N 270.706 4.547 30 10 CJEE C[C@@H](C#N)c1c(Cl)cc(C(F)(F)F)cc1Cl 309513987 SJJXEAAQWAKWQN-YFKPBYRVSA-N 268.065 4.639 30 10 CJEE C=C(C(=O)C1CCC(CCCC)CC1)C(F)(F)F 310852404 AEEWVDHBPGJBEF-UHFFFAOYSA-N 262.315 4.671 30 10 CJEE C=CCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCCC 312423941 ZDELGUBCJMNAND-FGTMMUONSA-N 289.488 4.610 30 10 CJEE CCC(=O)c1cccc(Oc2ccc(C#N)c(Cl)c2)c1 313026430 YHJOSVDBLZDJEX-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C=CCCC[C@@]1(CNCCC)CCCc2ccccc21 317312415 IMCUCWGDACCSLP-IBGZPJMESA-N 271.448 4.617 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)SC 327914185 RHOKBFRYWZMGKA-CQSZACIVSA-N 259.503 4.857 30 10 CJEE C=CCCCCCCNCc1ccccc1OC(C)C 380470263 ITWGXVAWOZJKGW-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE CCC(=CC(=O)c1ccc(Cl)cc1Cl)CC 380869600 JJXYPOBZOCBQFQ-UHFFFAOYSA-N 257.160 4.923 30 10 CJEE O=C(C1=CCCC1)c1ccc(OCc2ccccc2)cc1 393950322 WSNRDOJQIGHMGU-UHFFFAOYSA-N 278.351 4.559 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccsc2C(F)(F)F)CC1 394997747 YYFTVUYMQLLNTJ-MRVPVSSYSA-N 274.307 4.696 30 10 CJEE N#C[C@H](CSc1cc2ccccc2[nH]1)C1CCCC1 397382756 VJWHSWAGXLZLAP-CQSZACIVSA-N 270.401 4.590 30 10 CJEE CC1(C)CC(=O)C=C(C[C@@H]2CCCCC2(F)F)C1 400617625 HXVLXQBBRBATTK-LBPRGKRZSA-N 256.336 4.518 30 10 CJEE CC(C)(C#N)CCCCSCCc1ccccc1 435887298 GSSKIQDWWWXEAR-UHFFFAOYSA-N 261.434 4.682 30 10 CJEE CC(C)(C)C(C)(C)C/N=C1/NC2(CCCCC2)CCS1 687325656 JFBIULMXDXJJRG-UHFFFAOYSA-N 296.524 4.844 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)CC2CCCCC2)c1 689796801 ALCHFJKGYJREGG-AWEZNQCLSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H]1OC 689956154 AYHPQAYZHQSUIW-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CC[C@H]1NC(=Nc2cccc(C3CCC3)c2)S[C@@H]1CC 690149905 GZIKOGLIPYQMLS-HZPDHXFCSA-N 288.460 4.835 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@@H]2C[C@H]21 691714782 WWOISUMXZUOEJP-VQHPVUNQSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F 692207105 ZWWOGMKDRJNPCK-MLGOLLRUSA-N 281.802 4.704 30 10 CJEE CN(C1CC(C)(C)CC(C)(C)C1)[C@@H]1CCCC[C@H]1C#N 693085921 LZDNYNFIJWDRMR-GOEBONIOSA-N 276.468 4.605 30 10 CJEE C=C(C)[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695062466 WQNNJQGSGNQRJR-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1C#N 695675160 RVARKYYNHQFZEU-SWLSCSKDSA-N 276.811 4.982 30 10 CJEE Cc1cc(Cl)c(C(C)C)cc1O[C@H](C)CCC#N 695844423 WLOCDNXIVRPPKG-GFCCVEGCSA-N 265.784 4.843 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(C)cc3OC)C[C@@H](C1)C2 697312051 VQMURAYGHBMYLX-XYPWUTKMSA-N 271.404 4.550 30 10 CJEE CCCCCC[C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 698813097 BJNGNSPJFQOCHJ-HNNXBMFYSA-N 296.455 4.742 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](C)Oc1ccccc1 700691150 KVETUYSLMHHVHN-WBVHZDCISA-N 263.425 4.532 30 10 CJEE C=CCCCCCCNCc1ccc(Cl)c(OC)c1 703648013 QVQZVUGIQTYNQN-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1nc2ccccc2s1 703956091 XVYGIJGRZPWWTB-ZDUSSCGKSA-N 288.460 4.939 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(Cl)c1F 704038716 QYXMDHGENZTNGP-UHFFFAOYSA-N 269.791 4.561 30 10 CJEE CCC(=NO)c1ccccc1OC[C@@H](C)CC(C)(C)C 709235503 NUDFFROZPKZQNB-ZDUSSCGKSA-N 277.408 4.726 30 10 CJEE C[C@H](COc1cc(Cl)cc(C#N)c1)CC(C)(C)C 709238785 VLGPSWFUNVAWSN-NSHDSACASA-N 265.784 4.663 30 10 CJEE CCc1cc(C)cc(CC)c1Nc1cccc(C#N)c1 709685214 LBXYOFRHVFGDIR-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE N#Cc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)c(Cl)c1 710177415 AXNCOTOXKRRGLT-DZGCQCFKSA-N 274.795 4.592 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc(NC)cc1 711881194 OAQKGBONHRGCLR-KRWDZBQOSA-N 263.425 4.902 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC3(CCC3)O2)C1 712398105 OPFZBEQKVJRVIG-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H]2CCC(C)(C)CO2)CC1 714102559 FRKOQNSOQCVWIO-UPTPFMHGSA-N 277.452 4.938 30 10 CJEE CCCCCCCC[C@H](N)CC[C@@H]1C[C@H]1C1CC1 714780541 NNEUCOMGFYSCOB-IKGGRYGDSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)[C@H](Cc1cccc2ccccc12)NCC 715830980 PLCBUPVHWKHTOT-KXBFYZLASA-N 267.416 4.573 30 10 CJEE CCCCCCCCC[C@]1(O)COC[C@H]1CC(C)C 716294656 XMQXWLKNMOHJTN-SJORKVTESA-N 270.457 4.551 30 10 CJEE C1CCC(CC/N=C2/N[C@@H](C3CCCC3)CCS2)CC1 725079762 DUXCSFMOSUXXET-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C=CCCCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C 1127574476 AJMUQVSRTPKUNG-AWEZNQCLSA-N 271.404 4.662 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H](C)CC2CCCC2)CCCC1(C)C 1128573983 KQTMQCRBUVWNAI-WBVHZDCISA-N 291.479 4.796 30 10 CJEE 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283.415 4.541 30 10 CJEE C=C1CCC(C(=O)Nc2cccc(C3CCC3)c2)CC1 1460522920 UWVJWLUVPPAQEX-UHFFFAOYSA-N 269.388 4.639 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 1461119119 CVGLYINAVMOPIH-DGCLKSJQSA-N 284.230 4.828 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1C 1461527221 BZYGSAJMWZSACB-CZUORRHYSA-N 291.822 4.513 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)CC(C)(C)C)c1ccccc1 1461551354 SYMPBMLOOHOELD-HOCLYGCPSA-N 274.404 4.919 30 10 CJEE C=CCC1(C(=O)Nc2ccc3occc3c2)CCCC1 1462185188 CGZMZOVXMAKNAP-UHFFFAOYSA-N 269.344 4.508 30 10 CJEE C=CCCSc1nc2cc(Cl)ccc2n1CCC 1472929483 XJVUQJUKNLNWOT-UHFFFAOYSA-N 280.824 4.768 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1ccccc1-c1cccs1 1475829467 VTGUXVSYEYNIRF-ZDUSSCGKSA-N 298.411 4.597 30 10 CJEE C=C[C@H](CC)CC(=O)N(Cc1ccsc1)c1ccccc1 1520032918 REVIVTXCSFUZOT-OAHLLOKOSA-N 299.439 4.884 30 10 CJEE C=C(C)CCC(=O)O[C@@H](C)c1ccc(Cl)cc1Cl 1520420754 SQKFLOIUADNKFM-JTQLQIEISA-N 287.186 4.954 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(Cl)ccc1C 1527549718 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4.576 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@@]1(C#N)CCc2ccccc2C1 2340225527 UEMFZJZQCMFTRQ-DAYGRLMNSA-N 255.405 4.613 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccccc2C2CC2)C1 2341745620 XGUFOYYLHVNNIU-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1COc1ccc(C#N)cc1Cl 2343153904 PXMQAMDVFKPKFD-OLZOCXBDSA-N 277.795 4.663 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCCOC)NCCC 2344345992 ZDQGRLLPIRTRGI-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC1CC2(C1)CC(C)(C)C2 2344349534 UELCKBOPPGFJIP-DOTOQJQBSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cccc(F)c1 2344376741 HDDUGXIKVGWFFK-IRXDYDNUSA-N 263.400 4.859 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(C(C)C)cc1 2344383254 HYNLKQVSLTWFRM-ZWKOTPCHSA-N 259.437 4.672 30 10 CJEE CCCCCCCCCC[C@]1(F)C[C@H]2CC[C@H]1NC2 2345964631 WYFNRXYJQTUQNE-ZACQAIPSSA-N 269.448 4.997 30 10 CJEE C=CC[C@H](C)S[C@]1(C(=O)O)CCCCC12CCCC2 2352013438 IGXMMQHJFADLGO-BBRMVZONSA-N 282.449 4.642 30 10 CJEE CN(CCCCCC1CC1)C[C@](C)(CS)C(C)(C)C 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281.484 4.674 30 10 CJEE C=C(F)C[C@](C)(CCCCCCCCC)OCC(=O)O 2295677157 AUPKYMJVAYOZFC-INIZCTEOSA-N 288.403 4.860 30 10 CJEE C=CC[C@@H](NCCC)[C@@](C)(O)CCCCCCCCC 2295681660 IYAGCVHYSMTYDJ-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NCCC)C(C)C 2295681986 LQSLEQQVRYRIIV-ZWKOTPCHSA-N 285.516 4.902 30 10 CJEE CCCCCCS[C@@H]1C[C@H](CC)C[C@@](C#N)(NCC)C1 2295693241 CYVFAWVQZPKODW-GVDBMIGSSA-N 296.524 4.750 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2C[C@@H](SC)C2)C1 2299366637 RJRZQXPKZXPFCX-APIJFGDWSA-N 251.439 4.628 30 10 CJEE CCCCCCCCN(C)[C@H]1C[C@@H]2CCCC[C@@H]21 2311205711 ITAJKSFFUOZTAL-ULQDDVLXSA-N 251.458 4.857 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(C)(F)F 2312410430 WSTUVLBHWGPROJ-MGPQQGTHSA-N 260.368 4.555 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1C[C@@H]2CC[C@H]1C2 2312896426 PWQLDPNKHGJFLW-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cccc(Cl)c1Cl 2315420217 KNMBHLZNMNTRDO-SMDDNHRTSA-N 284.230 4.828 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1sccc1F 2316740069 YBTLQLYXSOEADG-AWEZNQCLSA-N 267.413 4.696 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C#N)CCC(F)(F)C2)CC1 2320331724 SBSWTBLDBUJMKJ-KGLIPLIRSA-N 253.336 4.842 30 10 CJEE CCCCCCC[C@](C)(N)c1ncsc1C1CC1 2321487777 NWRXZRYTTYUJMZ-HNNXBMFYSA-N 266.454 4.555 30 10 CJEE C=CC[C@H](CC[C@@H]1CCC(C)(C)C1)CNCCC 2321620140 SIAOLRKSHXTDPR-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE C=C[C@@H](C)CCN(C)Cc1cc(F)c(Cl)cc1Cl 2325179350 PTCZASUUDMSGFP-SNVBAGLBSA-N 290.209 4.777 30 10 CJEE C=CC[C@H](C)S[C@](C)(CCCCCCC)C(=O)O 2327018867 QNTQJPXZJYWPSG-DZGCQCFKSA-N 272.454 4.888 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCCCCC(F)(F)F 2327113998 YFHBFIVTQNSNCQ-GFCCVEGCSA-N 286.403 4.718 30 10 CJEE CSc1cc(Oc2ccc(Cl)cc2)ccc1C#N 2328519248 PQOMXVKRJOHEGS-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21 2332228879 UCWRGIKLXHXAIK-PNKHAZJDSA-N 263.469 4.891 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1csc(CC)n1 2338738917 QKCOFWNSPATIHO-MRXNPFEDSA-N 278.465 4.515 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCC 2339085197 CFFXQQOBSLDDQW-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE CCCCCCCOc1ccc([C@H](C)O)c(C)c1C 2340860424 WTCGZPKUHYEZNN-HNNXBMFYSA-N 264.409 4.706 30 10 CJEE C=C(C)C[C@@H](CC1(C)CC2(CC(F)(F)C2)C1)NCC 2341917721 MHYLWJAHBAZZCP-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CCCC[C@H]1F 2344348609 MHAGTFVYTNYOGL-VQHPVUNQSA-N 269.448 4.875 30 10 CJEE CC1(C)CC[C@@H](CC[C@@]2(C#N)CCOCC2(C)C)C1 2344861846 NAAGNOVQBJSDQG-YOEHRIQHSA-N 263.425 4.549 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CC[C@@H](C(C)C)C1 2351999467 YFFAQNMYOQNDNX-CZUORRHYSA-N 282.449 4.520 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@]12C[C@@H](OC)[C@@H]1C2 2354286295 OSDABKSRIALEJE-MHORFTMASA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)CC[C@@H]1C[C@@H]1C 2360175434 JFVLQRMNWMVUOF-LZLYRXPVSA-N 282.468 4.883 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@@H](C)CC)cc1C#N 2360363643 JDFXMMVXTLIDMK-UONOGXRCSA-N 288.460 4.503 30 10 CJEE C=CC[C@H](C)Sc1cccc(OC)c1CN[C@@H](C)CC 2360379883 ZETYWCPQGNLSFP-KBPBESRZSA-N 293.476 4.640 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1nc2ccccc2s1 35018269 DDFBXSGBAMCFEY-LBPRGKRZSA-N 293.395 4.535 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CC)Nc1ccc(Cl)cc1 37935969 JIRAUHIAFVXWHB-DOMZBBRYSA-N 264.800 4.860 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2OC)C1 41030591 ZMAYFULUOBVHFN-GRDNDAEWSA-N 289.444 4.896 30 10 CJEE N#Cc1cccc(C[C@H](C#N)c2cccc3ccccc23)c1 57756924 PTLQITPSUJIOBW-GOSISDBHSA-N 282.346 4.561 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](c1ccccc1)N(C)C 59090015 ASTMLUNPGINGED-PKOBYXMFSA-N 290.495 4.628 30 10 CJEE CCCCCCCO[C@@H](C)[C@H](N)c1ccc(CC)cc1 59199022 ACRRKUUKMDTCJF-YJBOKZPZSA-N 277.452 4.624 30 10 CJEE CC(C)c1ccc(COc2ccc(C#N)cc2Cl)cc1 70137928 CHWFBSWQDDLMEM-UHFFFAOYSA-N 285.774 4.914 30 10 CJEE CCCOc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086262 CFWJNLBINUKQEA-UHFFFAOYSA-N 295.260 4.626 30 10 CJEE CCC1(CC)CC(C#N)(c2c(F)cccc2Cl)C1 86521017 TYCMXEXDPNABQT-UHFFFAOYSA-N 265.759 4.841 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)s2)CCCc2ccccc21 87930148 FREGPGFVQUHPIQ-MRXNPFEDSA-N 287.815 4.742 30 10 CJEE CCCCCCCCCCCC[C@H](O)CNCCC 91465908 BUFDXYXYKYVZLR-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE C=C(CC)C[C@H](N)C1(c2ccccc2)CCCCC1 97208722 CEBCTDBCJCWPJI-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(OCCCC)cc1 97220866 YLHXLYGZSIZTBX-GOSISDBHSA-N 275.436 4.872 30 10 CJEE Cc1cc(/C=N/c2ccccc2)c(O)c(C(C)(C)C)c1 101139399 WNYPSNWCSWMFEE-XDHOZWIPSA-N 267.372 4.749 30 10 CJEE CCCCCCCC(=S)NCCc1ccccc1 102993889 JSSJTUOMQFJVOR-UHFFFAOYSA-N 263.450 4.507 30 10 CJEE CCCCCCCCO[C@@H](CNC)c1ccc(C)cc1 110070221 AEGAWDMHKNKINM-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCCCO[C@@H](CNCC)c1ccccc1 110070463 NUXKVXVAUTUKDM-SFHVURJKSA-N 277.452 4.714 30 10 CJEE CCCCCCCCCCCCN1CCNCC[C@H]1C 114078784 COEPKDBFKMTWNC-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CCCCCCCC[C@@H](O)c1c(F)cccc1F 114874221 PIVVXCISYBLJTC-CQSZACIVSA-N 256.336 4.749 30 10 CJEE CCCCCCCc1onc(N)c1-c1ccccc1C 116906179 ZVXZGHNBMDMSLT-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE CCCCCCCCC[C@](C)(F)[C@@H]1CCCNC1 127030774 MUSLADTZPYWBFD-CVEARBPZSA-N 257.437 4.855 30 10 CJEE N#Cc1cc(F)c(Oc2ccc3c(c2)CCCC3)c(F)c1 127479950 IZHSKXQULHFZNL-UHFFFAOYSA-N 285.293 4.508 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2C)C1 128625637 VBJCJXAXGZYOQN-PBHICJAKSA-N 259.368 4.787 30 10 CJEE C#CC[C@H](C)N[C@H](c1cccs1)c1ccc(Cl)s1 129855889 UAYWNQWTLSRQRZ-IINYFYTJSA-N 295.860 4.554 30 10 CJEE N#Cc1cccc(Sc2ccc(Cl)c(Cl)c2)c1N 131160937 YAYQTWWDOBMOJQ-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(Cl)s1 134711237 JDQNQVMVLUIUEE-IUCAKERBSA-N 296.848 4.746 30 10 CJEE CSc1cccc(Oc2ccc3c(c2)CCCC3)c1C#N 136715594 RCZYUTJZYOWVMK-UHFFFAOYSA-N 295.407 4.951 30 10 CJEE CC[C@@H](Cc1ccccc1)Nc1cc(C#N)ccc1Cl 148451495 YAVNNZMIYXLSBS-HNNXBMFYSA-N 284.790 4.645 30 10 CJEE CCCCCCCCCCC[C@H](O)C1=CCCO1 160922420 GQHVDGHVNFKABV-HNNXBMFYSA-N 254.414 4.572 30 10 CJEE CCCCCCC[C@@H](O)c1cnc2ccsc2c1 163607325 XCKRZNDNBDVURR-CQSZACIVSA-N 263.406 4.690 30 10 CJEE CC#CCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 168108041 UTUSZWMRHODFHR-CYBMUJFWSA-N 298.257 4.708 30 10 CJEE Cc1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1 203450949 FVFSTOSEOAVJQV-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@]2(O)CCCC(C)(C)CC2)C1 218597000 LQJLNKRWSZANEK-KBAYOESNSA-N 277.452 4.818 30 10 CJEE CCCCN(C1CC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222797130 YFNVWHJDYMZBFT-SOLBZPMBSA-N 290.495 4.996 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1cc(C)c(F)cc1F 229753291 OKPOXOYUELBKKF-MRXNPFEDSA-N 267.363 4.670 30 10 CJEE CCCCCCCCC(=O)c1ncccc1Cl 232925235 KJSBKIRBPUAJIL-UHFFFAOYSA-N 253.773 4.668 30 10 CJEE CCCCCCCC[C@@H](NN)C1(C)CCCCC1 232927618 SQQHCFDHDSJWKN-OAHLLOKOSA-N 254.462 4.539 30 10 CJEE C=CCCCCC[C@@H](NC)c1c(F)cccc1Cl 234456049 UFKQVAHMQFUXFJ-CQSZACIVSA-N 269.791 4.876 30 10 CJEE CCCCCCCCN1C[C@@H](C)NC[C@H]1C1CCCCC1 250831869 RSRBHCNYJWACSN-MJGOQNOKSA-N 294.527 4.590 30 10 CJEE C=C(C)CC[C@H](O)c1ccc(OCc2ccccc2)cc1 309801676 JZDSEYXLDACITJ-IBGZPJMESA-N 282.383 4.655 30 10 CJEE CC(C)(C)c1ccc([C@H]2CCC[C@H](CC#N)O2)cc1 312124173 YAJVJNVEAZAQKL-HZPDHXFCSA-N 257.377 4.508 30 10 CJEE C=CCCCCCOc1ccc(/C=C\C(=O)O)cc1Cl 312209872 UEEJDDOZPXMVSB-NTMALXAHSA-N 294.778 4.563 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(C(F)F)cc1N 312379406 MZYJHQFKOKVAJH-UHFFFAOYSA-N 294.688 4.524 30 10 CJEE CCCCCCCCC[C@@]1(CNC)CCCS1 317076860 UUFSCEKBRHSVCW-HNNXBMFYSA-N 257.487 4.612 30 10 CJEE CCCC1CCC(C=O)([C@H]2C[C@H](OCC)C2(C)C)CC1 317276295 SJRINCGNCLDREG-LPMVOBIJSA-N 280.452 4.613 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C1CCC1)C1CC1 324698225 SUXGQKNCNMKOFU-RHSMWYFYSA-N 251.458 4.904 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(OC(F)F)cc1 380804142 YYVOXJKVAVYOJF-GFCCVEGCSA-N 283.362 4.541 30 10 CJEE CCCCCCCOc1cccc2c1[C@H](NCC)CC2 383646120 GUEBPGIAIYBBSZ-MRXNPFEDSA-N 275.436 4.633 30 10 CJEE C#C[C@H](Nc1cccc2ccsc12)c1ccccc1 386238710 OFBZUYVJTAIPQU-HNNXBMFYSA-N 263.365 4.688 30 10 CJEE C=CC[C@H](CNCCC)C[C@H](C)C1CCCCC1 386525760 AEYPANINJRWVIY-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE CC[C@@H](C)N(CCCCCCS)Cc1ccccc1 387324635 CECHJIHTLBIDEK-MRXNPFEDSA-N 279.493 4.777 30 10 CJEE CCCCCCCCCCN[C@@H](C)C(F)(F)F 389482475 WYUAZLCAOWCQCX-LBPRGKRZSA-N 253.352 4.668 30 10 CJEE C=C(Cl)CNc1ccc2ccccc2c1Br 396913093 DWYCTVXZUVVITK-UHFFFAOYSA-N 296.595 4.767 30 10 CJEE Cc1ccc(SC[C@H](C#N)C2CCCCC2)cc1 397301350 LPIKBUZIGMXEAL-HNNXBMFYSA-N 259.418 4.807 30 10 CJEE CCC1CCC(C#N)([C@H](O)[C@H]2CCCC[C@H]2CC)CC1 401965443 SXWHWRIIWLOLMD-ONWVLEABSA-N 277.452 4.674 30 10 CJEE N#CCc1ccc(-c2cccc(Cl)c2Cl)c(F)c1 514263338 OMVSWKTYYJFQDF-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CC(C)c1ccc2[nH]cc(C3=CC[C@@H](C#N)CC3)c2c1 527395900 FYQYXCLBGXZTGP-CYBMUJFWSA-N 264.372 4.998 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@H](CC(C)C)C1 686683091 FNVCOLXJVJWQQB-IAGOWNOFSA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc2sccc2c1 686689529 KQNPTBLOWKXYBT-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](CC)CC[C@H]1CNCC 686691201 HIXIEUZKUWADKP-KURKYZTESA-N 263.469 4.622 30 10 CJEE CCCCCCCCCCCCNC[C@]12COC[C@H]1C2 689213771 MXMWIGQBTFOEEF-QZTJIDSGSA-N 281.484 4.533 30 10 CJEE CC(C)C[C@@H]1CSC(=Nc2cccc(C3CCC3)c2)N1 690141538 ZIEXYIAXZVDNIP-MRXNPFEDSA-N 288.460 4.693 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccc(SC(F)F)cc1 690221245 TVXUGQZGXGQTBD-JTQLQIEISA-N 284.375 4.599 30 10 CJEE CC[C@H]1CCCCC[C@@]1(O)C1(C#N)CCCCCC1 691097804 BUPOMONRQUHRBN-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(OC)c1C 691098411 HRWCLKGTJKACNY-MRXNPFEDSA-N 263.425 4.625 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1CCC(C(F)(F)F)CC1 692234908 MSGAMWWJWMVQJJ-VXGQWTEUSA-N 289.385 4.832 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1(N)CCC1 695293412 GMNKGAXRTMMHHG-MRXNPFEDSA-N 269.473 4.540 30 10 CJEE CCCCCCCCCC[C@H](O)C1(CC)CCNCC1 696334298 VGHJGQADTVFYQI-KRWDZBQOSA-N 283.500 4.658 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](N)c1ccccc1 697463807 PPXZMURJABGIIE-ROUUACIJSA-N 277.452 4.578 30 10 CJEE C[C@H]1CCC[C@H](N(C)CCCCC(C)(C)C#N)CC1 697855535 NVFUORXMIIAOIY-HOTGVXAUSA-N 264.457 4.607 30 10 CJEE C#C[C@H](N[C@H](C)c1sc2ccccc2c1C)C(C)(C)C 702254724 DUKAQZBYVVJLGY-CJNGLKHVSA-N 285.456 4.908 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC(C)(C)CC(F)F 710382361 AQRYWKGPLWDFJM-GFCCVEGCSA-N 261.400 4.638 30 10 CJEE C=CCCC(C)(C)Nc1ccc(C#N)c2ccccc12 717676802 WVZYKMIUDJCXPI-UHFFFAOYSA-N 264.372 4.868 30 10 CJEE CCCCCCCC[C@H](CCC(C)=C(C)C)NN 718572731 FBHBSRFDTZGKKA-MRXNPFEDSA-N 254.462 4.705 30 10 CJEE CCCC1CCC(CC[C@@H]2CO2)(CNC(C)(C)C)CC1 718593087 IKPFMYFFGBDYBB-UPTPFMHGSA-N 281.484 4.530 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(C)CC(F)(F)C1 720442812 HUJJMTBXGZMBNU-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 723627849 YRVBMAMGGOMOOT-GVDBMIGSSA-N 268.404 4.638 30 10 CJEE CSc1ccc(CC#N)c2c(C(F)(F)F)csc12 725316454 WUNMIOPUNRTQRA-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccccc1C 1129417060 YNUNIHFWBUTQSH-UHFFFAOYSA-N 273.420 4.642 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C)c([N+](=O)[O-])cc1F 1163716067 ZFNCDECBTFVPHN-TZMCWYRMSA-N 292.354 4.589 30 10 CJEE C#CCCCCCCNC1(c2ccc(Cl)cc2)CCC1 1170255043 ZPDQRPKNQNPMBJ-UHFFFAOYSA-N 289.850 4.893 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(Cl)c(C)c1Cl 1178584231 FMLAXGRHJCUUNT-GFCCVEGCSA-N 272.219 4.746 30 10 CJEE C=CCCCCC[C@@H](C)NCc1ccc2c(n1)CCCC2 1181266513 KNLPZDDSGHCODK-MRXNPFEDSA-N 286.463 4.575 30 10 CJEE C#CCCCCCCNCc1c(Cl)oc2ccccc12 1182882758 VNLNFMKCWFZOBR-UHFFFAOYSA-N 289.806 4.760 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](C)c1cnc(C)s1 1183269548 NDOGYMHHFSEMHV-QWHCGFSZSA-N 266.454 4.627 30 10 CJEE C=CCCCCC[C@H](C)NCc1cc2ccccc2nc1O 1207855017 QXPCDGMRMFDRBB-HNNXBMFYSA-N 298.430 4.555 30 10 CJEE C=C[C@@H]1CCCCN1Cc1csc(C2CCCCC2)n1 1307732881 RRNROGMCUURHBF-MRXNPFEDSA-N 290.476 4.731 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCc2ccc(Cl)c(C)c2)C1 1308416839 JYZADISPNUVIOB-GOEBONIOSA-N 277.839 4.525 30 10 CJEE C=CCN(CCc1ccccc1)Cc1cccc(C2CC2)c1 1308632846 UYNYMUJHAGMBDS-UHFFFAOYSA-N 291.438 4.795 30 10 CJEE C=CC[C@@H]1N(C[C@@H](C)c2ccccc2)CCCC1(C)C 1308725627 WZVDKGMRSFZWIL-AEFFLSMTSA-N 271.448 4.857 30 10 CJEE C=CCC[C@H](NC(=O)N(CCC)C(C)C)c1ccccc1 1312334677 QXHMNWFCJYMCQY-KRWDZBQOSA-N 288.435 4.524 30 10 CJEE C=CCC[C@H](NC(=O)CCCCCC)c1ccccc1 1458136303 RXDAUIBUQFSOTQ-KRWDZBQOSA-N 273.420 4.781 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 1465371896 WEKCMMDDZOUETL-MRXNPFEDSA-N 289.419 4.634 30 10 CJEE C=CCC(C)(C)C(=O)NCC1CCC(C(C)(C)C)CC1 1516329901 SIZBGXVNQNMTEY-UHFFFAOYSA-N 279.468 4.557 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](C)c1cc2ccccc2s1 1523195978 ZPNMXOZJTVLYLN-CHWSQXEVSA-N 287.428 4.681 30 10 CJEE C=CCC1(NC(=O)C2C[C@H]3CCC[C@H](C2)C3)CCCCC1 1526049641 WMCIINZEXLQIFZ-HOTGVXAUSA-N 289.463 4.598 30 10 CJEE C=C[C@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 1532387434 KGEKRMVIVQRGTF-HNNXBMFYSA-N 290.721 4.563 30 10 CJEE C#CCN(C(=O)C[C@H](C)CCC=C(C)C)C1CCCCC1 1536323309 BXEXPFUOWIGTCS-QGZVFWFLSA-N 289.463 4.554 30 10 CJEE C=CCC[C@H](C)Nc1cc(Cl)c(Cl)cc1OC 1560754521 KXRWNJYBKPVKTQ-VIFPVBQESA-N 274.191 4.769 30 10 CJEE C=CCCCC[C@@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 1561041918 KCPONCHJRARJEK-DYVFJYSZSA-N 277.839 4.532 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1584115672 MRLIRLIAUVIMOJ-AZUAARDMSA-N 299.458 4.906 30 10 CJEE C=CCC1(NC(=O)CCC2CCCCCC2)CCCC1 1587441582 DQVCQMAMUCVPFO-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C=CCCC[C@H](NC(=O)/C=C(/C)CC)c1ccccc1 1596613132 OYVATVPLRNUVAZ-XUZQSEFNSA-N 271.404 4.557 30 10 CJEE C=C[C@@H](CC(=O)NC[C@@H]1CCCC(C)(C)C1)c1ccccc1 1597593674 VUSUEDSCIVNDQR-SJORKVTESA-N 299.458 4.679 30 10 CJEE CCN(CC)c1ccc(C#Cc2cccc(Cl)c2)cc1 1614901754 RGYBUESCDGYCEL-UHFFFAOYSA-N 283.802 4.586 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(C)cccc2o1 1617466787 VHHSWDDMYAUTEJ-HOCLYGCPSA-N 297.398 4.606 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H]1CCCc2ccc(Cl)cc21 1623747537 KBTCPYICLKYVMC-NVXWUHKLSA-N 292.806 4.863 30 10 CJEE C=CC[C@@H]1N(Cc2ccccc2CC)CCCC1(C)C 1642917983 SAYOHUFVAWGUJV-SFHVURJKSA-N 271.448 4.816 30 10 CJEE C=CCCCCCN1CCCn2c(cc3ccccc32)C1 1643260879 PKBZKRXABZAMKN-UHFFFAOYSA-N 282.431 4.593 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(CC(F)(F)F)cc1 1650839394 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30 10 CJEE C=CCCCCC[C@](C)(O)c1ccc(Cl)s1 1991152574 SCULVEWEDHHDBJ-ZDUSSCGKSA-N 258.814 4.746 30 10 CJEE CC[C@@H]1CCC[C@H]([C@]2(C#N)CCS[C@@H](C)C2)C1 1997349545 BSIAQACEIPKELM-LJISPDSOSA-N 251.439 4.628 30 10 CJEE CCC#CC[C@H](NCCC)c1cc(C)c(Cl)s1 2005835864 LRHIVEXKIPRXGN-LBPRGKRZSA-N 269.841 4.554 30 10 CJEE C=CCCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 2018384178 IWFGAVOWOIONHS-QGZVFWFLSA-N 292.231 4.755 30 10 CJEE CC#CCCCCC(=O)c1cc2cscc2s1 2019542393 MNTJYOIRWRAOON-UHFFFAOYSA-N 262.399 4.729 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)Cc1cc(Cl)cc(Cl)c1 2021055022 YINFONYTTJMKLL-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)Cc1cc(Cl)cc(Cl)c1 2021055023 YINFONYTTJMKLL-YGRLFVJLSA-N 271.187 4.541 30 10 CJEE C=CCCCCCC[C@@H](N)c1cc(C)c(C)s1 2026005169 VOFMWWHANJNQIY-CQSZACIVSA-N 251.439 4.891 30 10 CJEE N#Cc1ccccc1Oc1ccc2sccc2c1 2027752726 QNGCUGUREYORPM-UHFFFAOYSA-N 251.310 4.565 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2030241364 JQAVJJXWIDGCDU-LTIDMASMSA-N 251.458 4.783 30 10 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30 10 CJEE C=CCCCCCCCCCNC[C@H]1C[C@H](F)C1 2086280697 JZRCYLYHZAXQKO-WKILWMFISA-N 255.421 4.631 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@]12CCCC[C@H]1CCC2 2092698003 ANGUJSVIEJVRIQ-XJKSGUPXSA-N 274.795 4.736 30 10 CJEE CCCCCCC[C@@H](CCOCCC(C)C)NCC 2094770256 ZQHYKYCULDSEAY-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE CCCCCCC[C@H](NCC)[C@]1(C)C[C@H]1C(F)(F)F 2100656628 BPKVUZXZLNPBCY-HZSPNIEDSA-N 279.390 4.914 30 10 CJEE CC1=CCC[C@H](C)[C@H]1[C@H](C#N)Nc1ccccc1Cl 2100945017 IURHNQSBOPRBOE-RCBQFDQVSA-N 274.795 4.636 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](O)c1cscc1C 2100979660 MPRIGTXLWUEJPT-CVEARBPZSA-N 283.481 4.558 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1COC(C)(C)C1 2103141927 SGBYCBOTJCOYSF-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](NC)c1ncoc1C1CCC1 2104128499 YKOLTLFVORYNHZ-CQSZACIVSA-N 264.413 4.563 30 10 CJEE CCCCCCCCC[C@]1(N)CC[C@H](C)C[C@H]1OC 2105729157 AEXUBJIQHDSKLN-BBWFWOEESA-N 269.473 4.660 30 10 CJEE CCCCCCCC[C@]1(CNC)C[C@H]2[C@@H](C1)C2(F)F 2107647277 LBIONIUFWXYSLJ-QDMKHBRRSA-N 273.411 4.618 30 10 CJEE C=C([C@@H](NCC)c1c(F)ccc(F)c1Cl)C(C)(C)C 2107859572 WMOGMIDXHUNSJY-CQSZACIVSA-N 287.781 4.871 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)c2cccnc12 2107991614 WXTWGLGDPIGLPL-HNNXBMFYSA-N 274.795 4.505 30 10 CJEE CCCCCCCCC(=O)C1([C@@H]2CCCCO2)CC1 2108103376 HCJQVWMVDVMCCY-INIZCTEOSA-N 266.425 4.655 30 10 CJEE CCCC[C@](C)(C#N)[C@@H](O)c1csc(C(F)(F)F)c1 2108207233 PZMWOVVZNLGIHB-NWDGAFQWSA-N 291.338 4.520 30 10 CJEE CCCC[C@](C#N)(CC)[C@H](O)[C@H](C)C1CCCCC1 2108213391 LLRIYWRXQVMWGP-OIISXLGYSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCC[C@@]1(F)C[C@H]2C[C@H]1C[C@H]2N 2108236942 HYCDONASJRMUME-YYIAUSFCSA-N 269.448 4.983 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H]1CCC12CCC2 2110464794 PCNUJYZWTDSAQX-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCCCC(F)(F)C1 2112579299 LGAHGTOSUURNNU-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCCCC[C@@H](NC)[C@@H]1CCCCC(F)(F)C1 2112585951 JVLLNEGOTUFMBF-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE SC[C@H](CC1CC1)CN1CCCC[C@H]1c1cccs1 2115181382 NGOCXSZZPDOEQY-CABCVRRESA-N 295.517 4.621 30 10 CJEE C=C[C@H](C)C[C@H](C[C@@]1(C)CCCCC1(F)F)NCC 2116656734 WTQMZFYFGFHROA-RRFJBIMHSA-N 273.411 4.782 30 10 CJEE C#CCCCC[C@H]1CC(C)(C)CC[C@H]1CNCCC 2116866326 CDTRGNGXAUWQSI-IRXDYDNUSA-N 263.469 4.622 30 10 CJEE Cc1cccc(C[C@]2(C#N)CCCCC23CCC3)c1 2116998005 SLZUJFYPMHLFAD-SFHVURJKSA-N 253.389 4.792 30 10 CJEE N#C[C@@]1(C[C@H]2C[C@H]3C=C[C@H]2CC3)CCCCC12CC2 2117004136 LYUYCBILZVAESF-CUSZFKRNSA-N 255.405 4.843 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCO[C@@H]1C)NCCC 2121156708 XHMJTBKCQFPPFF-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@H]1SCC1CC1 2121640044 NTEOPFLYIITVKJ-YESZJQIVSA-N 271.429 4.606 30 10 CJEE C=CC1(C[C@@H](NC)c2cc(Cl)c(F)cc2F)CCC1 2122786514 ZRJLNUBDSVCFTR-CQSZACIVSA-N 285.765 4.625 30 10 CJEE C=C1CCC(C[C@](CC)(CNC2CC2)C(C)C)CC1 2127928517 QIQGKJZYHZEPST-GOSISDBHSA-N 263.469 4.927 30 10 CJEE CCCCCCCCN[C@H]1c2ccccc2C[C@H]1C 2129007654 MZWSEAPDSBAPHV-CRAIPNDOSA-N 259.437 4.870 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](N)(CC#C[Si](C)(C)C)CC1 2130916489 DEYILVNHOIXRKG-DOTOQJQBSA-N 279.544 4.581 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@H]2C3C[C@@H]4C2[C@@H]4C3)CC1 2134662198 VWCITHKPOMVBIZ-RVKUGGTQSA-N 257.421 4.779 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=Nc2cccc(C(C)C)c2)N1 2136529557 AMZBJQRYZKHWSL-WFASDCNBSA-N 276.449 4.549 30 10 CJEE CCCC#CC[C@H](NC)C1CCC(C(C)(C)C)CC1 2138959067 NXTROZVLVWOHRA-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@]1(C)CCCS1 2138963825 PISXVPKERMISML-IAGOWNOFSA-N 281.509 4.614 30 10 CJEE CCCC#CC[C@@H](NCC)c1csc(C(F)(F)F)c1 2138964555 XKEGSWBVMLEHNB-GFCCVEGCSA-N 289.366 4.611 30 10 CJEE CCCC#CC[C@]1(CNC(C)C)CCCCC12CC2 2138993953 MUOISPRPOXMBHM-GOSISDBHSA-N 261.453 4.519 30 10 CJEE CCCCCC#CCC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 2139051786 NAJHAJPDLKQXOB-QAPCUYQASA-N 262.437 4.992 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ncccc1F 2142436018 SNXGWWQKLGNCCO-OAHLLOKOSA-N 264.388 4.527 30 10 CJEE C=CCCCCCCCC[C@H](N)c1cnccc1C 2142445787 JRHORGAJOZVWDX-KRWDZBQOSA-N 260.425 4.697 30 10 CJEE CC[C@H](C)C[C@](C#N)(CSc1cccs1)NC(C)C 2142577440 QKBAGUJGXGIMBQ-ZFWWWQNUSA-N 296.505 4.537 30 10 CJEE CCCCCCCCCCN1C[C@@H](NCC)CC[C@H]1C 2143556573 QHFUSCIAXQXDBQ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)C1CCC(CC)CC1 2147968511 DNSGIOIOJZUTGY-ZGUYJTEBSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CCC[C@H]1CC1(C)C)NC 2148345069 NKDPQXOECXYKPS-BBWFWOEESA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(O)CC1CCCC1 2148591699 QEPTYUWXPRBIMN-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@](C)(O)C(F)F 2148592853 VUPKESCDRBACMN-HOCLYGCPSA-N 293.442 4.511 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](NCC)C(CC)CC 2148597960 ATYXVSXTRWHSCR-QZTJIDSGSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](C)(O)C1CCCCC1 2148598605 FDLFEVYRISEBRQ-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](N)[C@H](O)[C@H]1CCCC[C@H]1C 2148598929 GMKQMQBOAJLTIN-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H]1CCCC[C@H]1C(F)(F)F 2149083395 RFYLIPLAUFHZGK-ZNMIVQPWSA-N 291.401 4.937 30 10 CJEE CC1(C)CCC[C@]1(C#N)Cc1cc(Cl)cc2c1OCC2 2149427769 JOYVUISJGPVWKL-QGZVFWFLSA-N 289.806 4.537 30 10 CJEE CCCCCCCCC(=O)C1(O)CCC2(CCC2)CC1 2149572254 JQERWVTVLWCQCI-UHFFFAOYSA-N 280.452 4.782 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2[C@H](C1)C2(C)C 2149736106 HTWYOUHGGKWJDP-LKTVYLICSA-N 288.822 4.694 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)[C@H]1CCC[C@H]1C 2149870753 OOUAFCRNNNVLCZ-NZSAHSFTSA-N 275.480 4.765 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc2c(c1)CCCC2 2152746975 VHVVOBSBDHQXFJ-KXBFYZLASA-N 271.448 4.818 30 10 CJEE N#CCc1cccc(N[C@H]2CCCCCCC2(F)F)c1 2152765597 CTWZSTUXLAMDBU-HNNXBMFYSA-N 278.346 4.523 30 10 CJEE C=C([C@@H](NCCC)[C@](C)(O)CCC(C)(C)C)C(C)(C)C 2152982607 CTTHKEUHEPTKHT-CRAIPNDOSA-N 283.500 4.534 30 10 CJEE CC(C)C[C@H](C)[C@H](C)N=C1NC2(CCCCCC2)CS1 2153918355 CYMUMMKVUWVKGK-GJZGRUSLSA-N 296.524 4.843 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1OCCC1(C)C)NC 2154287948 RXIZINAVFZOQLV-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@](C)(N)c1cnccc1C(F)(F)F 2154654267 RSCBMPPHZBTMIX-AWEZNQCLSA-N 288.357 4.635 30 10 CJEE N#C[C@]1(c2nc3c(s2)CCCCC3)CCCC12CCC2 2154780965 BLTADWYJOZTHRA-KRWDZBQOSA-N 286.444 4.528 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCCOC12CCC2 2158529645 YOMXKPYWILNHRO-QGZVFWFLSA-N 282.468 4.981 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 2158692159 SUECOJKDCVHNEA-KBXIAJHMSA-N 289.385 4.690 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)CO[C@@H](C)C1 2159367869 QQRQFLYISWFSQG-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CC[C@@H]1CCC[C@@H](CNc2ccc(F)cc2C#N)CC1 2159510018 PGMAKOLHKNFQDN-ZIAGYGMSSA-N 274.383 4.716 30 10 CJEE C=C([C@@H](NCCC)c1ccccc1C1CC1)C(F)(F)F 2160413069 XUIACWQWMHHNOQ-OAHLLOKOSA-N 283.337 4.723 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(F)c(F)cc1F 2164210276 USUGATNCANTXCB-BDJLRTHQSA-N 285.353 4.747 30 10 CJEE C=CC1(C[C@@H](NCC)c2ccc(C3CC3)cc2)CCC1 2168023572 MVBWUISNPKQBJK-GOSISDBHSA-N 269.432 4.961 30 10 CJEE CCCCCCC[C@@H](N)[C@](C)(O)C1CCC(CC)CC1 2168398865 MOQIEHVNTOLZBL-OPQOLIRYSA-N 283.500 4.642 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(O)[C@]1(C#N)CCCC(C)(C)C1 2168549443 WZTGPHWCBDGHCL-JQHSSLGASA-N 277.452 4.674 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)[C@H]1CCCC(C)(C)C1 2168568657 LGSMQSMMIYHSOU-OLZOCXBDSA-N 274.383 4.714 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H](O)C1(C)CC(C)(C)C1 2169176739 NSMCWBQJLQYWAA-HZPDHXFCSA-N 283.500 4.512 30 10 CJEE C#Cc1ccccc1CNc1ccccc1SCCC 2170210813 VQOFPWZGMUZJMB-UHFFFAOYSA-N 281.424 4.782 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(F)c2ccccc12 2173290927 SSOISYGWVSQGFY-UGSOOPFHSA-N 271.379 4.842 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H]1CCCc2sccc21 2173471196 PINHVCSZTYDNHZ-RDJZCZTQSA-N 289.488 4.730 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccn(CCC)n1 2173491102 NWTDVPGZWVWRQZ-QGZVFWFLSA-N 280.456 4.857 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)C[C@H](O)c1ccccc1Cl 2173663990 YBBHTRFBOBYKGX-RDJZCZTQSA-N 294.822 4.549 30 10 CJEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)[C@H]1CCC[C@@H](C)C1 2177393273 PLTZCCMOGVLYBX-WOPDTQHZSA-N 294.801 4.977 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@](C)(O)C(C)(F)F 2178855573 VIETVGMGSYAPST-HUUCEWRRSA-N 293.442 4.511 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@]1(O)CCC=C1CC 2179174752 GQEVWFJKFUNUJZ-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc2ccccc2n1 2179683028 QLGOVKUJMHGQEM-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(C2CC2)nc1 2181760316 RYORCGHXLJXUSZ-RDTXWAMCSA-N 272.436 4.602 30 10 CJEE N#C[C@]1(CC2CC(=C3CC3)C2)CCc2ccccc2C1 2182143691 BTLXHJMUIHTLRN-IBGZPJMESA-N 263.384 4.576 30 10 CJEE C=C1CC(C[C@H](C[C@@H](C)c2ccccc2)NCCC)C1 2182175913 XGIBHIZDKGMYAX-APWZRJJASA-N 271.448 4.905 30 10 CJEE CCCCCCCCCC[C@@H]1CC[C@@H](COC)[C@@H](N)C1 2183617294 SJNSCGWDWHEKKJ-SQNIBIBYSA-N 283.500 4.907 30 10 CJEE CC(C)C[C@H]1CC[C@H]1N(C)c1cc(Cl)c(F)cc1C#N 2184415835 MUEXJWLBRIOORH-IAQYHMDHSA-N 294.801 4.612 30 10 CJEE CCCNC[C@@]1(CC#C[Si](C)(C)C)CCCCC12CC2 2187468941 TXKSMIYCOPLVEK-SFHVURJKSA-N 291.555 4.598 30 10 CJEE Cc1cc(COC2CC(CC(C)(C)C)C2)ccc1C#N 2188307141 JQQYFTIITYAKCV-UHFFFAOYSA-N 271.404 4.598 30 10 CJEE CC(C)C(CCOCc1ccc(C#N)c(F)c1)C(C)C 2189240655 WQDRGAAYBTZFBP-UHFFFAOYSA-N 277.383 4.532 30 10 CJEE CC(C)=C(C)C(=O)C1(O)CCCCCCCCCCC1 2192539268 KANKTKOPNPUBDX-UHFFFAOYSA-N 280.452 4.948 30 10 CJEE CC[C@H]1CC[C@H](CN=C2N[C@@H](C(C)(C)C)CCS2)CC1 2192868760 DVLYHLGVKBYHGE-RBSFLKMASA-N 296.524 4.700 30 10 CJEE CCCC[C@@H](CC)N=C1N[C@H](CC2CCCCC2)CS1 2193741052 KMWONIHAFRWGHQ-HZPDHXFCSA-N 296.524 4.987 30 10 CJEE CC(C)c1ccccc1N=C1N[C@@]2(CC[C@@H](C)C2)CS1 2194662828 YIVJWTFMTPJMOU-CXAGYDPISA-N 288.460 4.693 30 10 CJEE CCCCCCC[C@H](O)[C@@H](CC1(CCC)CC1)NCC 2195267003 SRRJYZYMGIUCMW-SJORKVTESA-N 283.500 4.656 30 10 CJEE C=CC[C@H]1CCCN(Cc2ccc(C(C)(C)C)cc2)C1 2195702383 ISPZIZINEVBSTD-INIZCTEOSA-N 271.448 4.772 30 10 CJEE CCCCCCCCCCCCN(C)CC1(C)COC1 2195923152 YXAWPMHUFUHMAH-UHFFFAOYSA-N 283.500 4.876 30 10 CJEE CC#CCCCC[C@@]1(CNC2CC2)CCC[C@@H](CC)C1 2196173005 YEKCEBIJEMPBCQ-IEBWSBKVSA-N 275.480 4.909 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(Cl)cc(F)c1F 2196837687 SHQKBDYXFQMHEW-ABAIWWIYSA-N 299.792 4.708 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1c(F)ccc(Cl)c1F 2197136849 IWVAIEDYOYANMX-MRXNPFEDSA-N 293.744 4.592 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1cc2c(s1)CCCCC2 2197137726 QBYGIEJHCRKLQU-GOSISDBHSA-N 284.424 4.764 30 10 CJEE C=C(c1ccccc1)[C@](N)(CC)c1ccc(CC)cc1 2197149584 ILODLZGLCVWKPN-LJQANCHMSA-N 265.400 4.526 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@]1(O)CCC2(CC2)C1 2199066446 QXLNXRGEWTZOQS-SJLPKXTDSA-N 281.484 4.540 30 10 CJEE Cc1ccc(N[C@H]2CCCC23CCCCC3)cc1C#N 2199335195 BWXOCWXNQTUADQ-KRWDZBQOSA-N 268.404 4.782 30 10 CJEE CCN(C[C@H](C#N)C1CCCCC1)[C@H]1CCCC1(C)C 2199450039 WGZRZOCTPSNZFJ-IRXDYDNUSA-N 276.468 4.607 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H]1C[C@@H]1C1CCCC1 2200028620 IFWRSQSZJQNGSP-QRVBRYPASA-N 269.432 4.504 30 10 CJEE CCCCC#CC[C@H](NC)c1ccccc1C1CCC1 2203785637 AEKANUWCNNYKKZ-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCCC#CC[C@@H](NCCC)C12CCC(CC1)C2 2203791408 LXVQSGXQZVVYQP-JLAWEPINSA-N 275.480 4.909 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1C[C@H]1C1CCCCC1 2203819705 PNJFGNKTMYNQOX-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCCC#CCC(=O)c1ccc(F)cc1C(F)(F)F 2203881482 JFWVJLXODMMPGT-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE C#C[C@@H](N[C@@H]1CCCCC12CCCCC2)C1CCCC1 2204046382 FYMULMLAWCQYJC-QZTJIDSGSA-N 273.464 4.661 30 10 CJEE C=CCC1(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CCCC1 2204625918 UFTDMRBBXMNGNO-UHFFFAOYSA-N 294.782 4.857 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCC2(CCC2)N1 2205729663 SPFLJTSKKYNOHC-MRXNPFEDSA-N 279.468 4.761 30 10 CJEE C=CCCCCCC[C@@H](O)c1ccc(C(F)(F)F)cn1 2206886002 OUXGXYZPKTYAFR-CQSZACIVSA-N 287.325 4.660 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ccc(N)c(F)c1 2207392437 QOLMMSZVRJKBJP-QGZVFWFLSA-N 279.399 4.748 30 10 CJEE C=CCCCCCCCCC[C@@H](N)CC[C@@H]1CCOC1 2207401903 GFZYRBJNKWOFDM-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCCN1C[C@H](C)CC[C@H]1C=O 2207403259 NEZCBHNNWRJACP-MSOLQXFVSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@](C)(O)CCCC 2207404525 UBEMZDHFFZIOBN-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ccnn1CCC 2207431058 BBCBSUYLJDQMQW-KRWDZBQOSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCCCOC1(C)CCC(N)CC1 2207435629 JQZUWDYURVKJHN-UHFFFAOYSA-N 281.484 4.970 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1COC 2207435795 IPLMUAGSRWXEOX-KURKYZTESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCC[C@H](O)c1ccc(F)nc1 2207442064 NQOVHDGPEKEDTD-INIZCTEOSA-N 279.399 4.951 30 10 CJEE CCCCCCCC[C@H](O)[C@@](C)(C#N)c1ccccc1 2207452469 YVNVMEPLXWHOKZ-ROUUACIJSA-N 273.420 4.579 30 10 CJEE CC(C)C[C@](C#N)(CS[C@H]1CCC[C@@H](C)C1)NC(C)C 2207590652 NUAJRABRELMOIJ-IKGGRYGDSA-N 296.524 4.605 30 10 CJEE CC[C@H](C)SC[C@@](C#N)(NC(C)C)C1CCCCCC1 2208099564 DTXIJFJCASNGNO-DOTOQJQBSA-N 296.524 4.749 30 10 CJEE CC(C)(C)SC[C@@](C#N)(NC1CC1)C1CCCCCC1 2208100546 MWLQKZKIPBCFLY-QGZVFWFLSA-N 294.508 4.503 30 10 CJEE Brc1ccccc1C#CC[C@H]1C=CCCC1 2211220633 RPTZABRJXQLTDF-ZDUSSCGKSA-N 275.189 4.547 30 10 CJEE CCCC[C@](C)(C=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2218371659 UKFHUWLNPXBQEV-HZMVEIRTSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CCC(F)(F)C1 2220087636 JLGRZSAQTOMKTR-KGLIPLIRSA-N 259.384 4.666 30 10 CJEE C=CCCCCCCCN[C@@H](C(C)C)C(F)(F)F 2220089657 RZCVVKMZJHFXEV-ZDUSSCGKSA-N 265.363 4.690 30 10 CJEE CCCCCCC[C@@](C)(CNC1CCC1)C1CC1 2223544192 BRJMZXAURNRDFW-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CC[C@H]1CC=C(C(=O)Cc2ccc(F)c(Cl)c2)CC1 2225120057 VZSYSVLDGVZNGB-NSHDSACASA-N 280.770 4.727 30 10 CJEE CC1=C(C)C(=O)[C@H](CC2C[C@H]3CCC[C@H](C2)C3)CC1 2225291059 XFMRNZQOVUDZSL-ZOBUZTSGSA-N 260.421 4.908 30 10 CJEE CC1(C)CC(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)C1 2225687460 HFXNRQYKSYVAEZ-LBPRGKRZSA-N 296.197 4.606 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cccnc1C 2227269068 VXHRFJLDELJQPO-QGZVFWFLSA-N 260.425 4.567 30 10 CJEE C=CCCCCCCC[C@H](N)c1snnc1C(C)C 2227275335 XMGNKRZJFWZFRO-ZDUSSCGKSA-N 281.469 4.578 30 10 CJEE C=CCCCCCCC[C@@H](CC1CC(C)(C)C1)NN 2227276012 OZHYESCEPQWNBD-INIZCTEOSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@@H](NN)c1csc(C)c1C 2227280144 ASDXDHXJOFDWCJ-MRXNPFEDSA-N 280.481 4.786 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@@H]2CC[C@@H]2C1 2227284437 RFWBZZKECZRXQS-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc(F)cc(F)c1 2227286184 MFVQUQGLNLONBM-MRXNPFEDSA-N 267.363 4.881 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cc(COC)cs1 2227290701 JPUDKRFCSWNGLF-OAHLLOKOSA-N 282.449 4.845 30 10 CJEE C=CC1(C[C@H](CCCC(C)(F)F)NCCC)CCC1 2229852997 QEROKJPQSSJOHX-AWEZNQCLSA-N 273.411 4.927 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)c1ccc(C2CCC2)cc1 2231692843 NPEHMXNJGBCSIB-MSOLQXFVSA-N 255.405 4.571 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H]1OCCC1(C)C 2231926588 WIMCYJCCUAMXLO-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CO[C@H]1C[C@@](C#N)(CC2C[C@H]3CCC[C@H](C2)C3)C1(C)C 2233738565 VDVUDFGLYRPIDG-ILXVDBEPSA-N 275.436 4.548 30 10 CJEE CC(C)(C)C#C[C@H](O)c1ccc(-c2ccc(Cl)cc2)o1 2233923349 ZWADYEUGBXDZTO-AWEZNQCLSA-N 288.774 4.683 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](C)O1 2235514622 WGHSKXCHRZYQEL-SQNIBIBYSA-N 281.484 4.839 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccc(COC)o1 2235519941 VIKFLXSJOCZJSX-INIZCTEOSA-N 279.424 4.603 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ccc(COC)o1 2235519942 VIKFLXSJOCZJSX-MRXNPFEDSA-N 279.424 4.603 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cc2c(ncn2C)s1 2235520229 XJUBZTIKDHIYIO-CYBMUJFWSA-N 291.464 4.551 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H](OC)c1ccccc1 2235520848 DGJURRCWRTVCRQ-MSOLQXFVSA-N 276.420 4.652 30 10 CJEE C=CCCCCCCCN1CCCC[C@H]1[C@@H]1CCCO1 2235529002 QACWRWNKUKLBDS-ROUUACIJSA-N 279.468 4.547 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2235537843 FIYPOMWKAFHYEA-VUABBVGZSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCCCCOc1cc(F)ncn1 2239557962 AYUNTEFACUUKAH-UHFFFAOYSA-N 282.403 4.915 30 10 CJEE CCC1CCC([C@@](C)(N)C#Cc2ccc(Cl)cc2)CC1 2239568599 WMTXFZOSUDWKQI-PVARCSIZSA-N 289.850 4.625 30 10 CJEE C=CCCCCCCCCNCc1cnc(OCC)s1 2239971715 OPEBNFZSCFIRTJ-UHFFFAOYSA-N 296.480 4.548 30 10 CJEE CCCCCCCCC[C@@H](N)C12CCC(OC)(CC1)C2 2240267977 CPAUXAQDYUFGQE-WWDZGPRUSA-N 281.484 4.804 30 10 CJEE O=C[C@]1(CCCC(F)(F)C(F)(F)F)CCCC12CCC2 2240480557 SBQWOVZFRCUOJN-GFCCVEGCSA-N 298.295 4.894 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](C[C@H]1C[C@H]1C)NCC 2240667377 VSCINFCNFPOHJM-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE C=C(CC)C[C@H](N)c1cc(Cl)c(Cl)cc1C 2244386280 HWPNWKNQAMYPGE-ZDUSSCGKSA-N 258.192 4.658 30 10 CJEE C[C@H](CCS)CCSCC1CC(C(F)(F)F)C1 2250111638 MACJNHWCSLRJJS-KPPDAEKUSA-N 286.428 4.654 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)s1 2251489469 PMKHWSPBVNFSQZ-NSHDSACASA-N 288.243 4.638 30 10 CJEE C=CCCCCCCCSc1nc(Cl)ccc1N 2259047357 WNSJNANUGBSDBL-UHFFFAOYSA-N 284.856 4.936 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CC(CCC)C1 2259196077 DACVNDAZNXVZFA-JCYILVPMSA-N 251.458 4.927 30 10 CJEE C=C(C)CCCC[C@H](O)c1cscc1C(F)(F)F 2259197225 VUBVVYURKDBZJJ-LBPRGKRZSA-N 278.339 4.937 30 10 CJEE C=C(C)CCCC[C@@H](O)c1ccc(OC)c(Cl)c1 2259206019 IJFFARRJBYTROS-CQSZACIVSA-N 268.784 4.519 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ncc(C)cc1Cl 2259304097 KPUHQHBSCAMOER-GXTWGEPZSA-N 264.800 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H]1[C@H]2CCC[C@H]21 2263658882 BMLYSWDDCLJLGR-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE C=CC[C@H](CC)NCCC12CC3CC(CC(C3)C1)C2 2265122108 VRJQBBRYOHVRTM-LESVLKBLSA-N 261.453 4.537 30 10 CJEE C=CCCCc1cc(CNC2CC2)cc(C(C)C)c1 2265953089 FDFBGGCGXVUJDI-UHFFFAOYSA-N 257.421 4.571 30 10 CJEE C=CCCCCCCN[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2266312462 KDOWGEZBTWYGJC-QXDIGNSFSA-N 261.453 4.537 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@@H]1CCCCC1(C)C 2268787041 RUUYKUYIWIGIAM-JKSUJKDBSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)C1(C(C)(C)C)CCC1 2268794973 VCYPBDHQQYKFCK-OAHLLOKOSA-N 262.437 4.560 30 10 CJEE CCCCCCCC[C@@H](N)c1nccc2occc12 2268935969 HQQNDWGUCCYSAF-CQSZACIVSA-N 260.381 4.578 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1C[C@@]1(C)COC 2269219168 RQRANZOBHQYQJY-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE C=C(C)CCCC[C@H](NC)C1C[C@H]2CCC[C@H](C1)C2 2271837841 YHRRAYYDASBZOE-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1nc(C)c(C)s1 2271842737 ZKEMHIKPJGRKIX-HNNXBMFYSA-N 280.481 4.937 30 10 CJEE C#CCCCCCN(C)[C@@H]1CC(C)(C)CCC1(C)C 2274562887 INXXRIOUILFASX-MRXNPFEDSA-N 263.469 4.717 30 10 CJEE C=CCCCCCC[C@@](C)(OCCN)C(C)(C)CC 2276155382 WNLVRXJUMUCABQ-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(CCCCF)OCCCN 2276210188 KCGDZMHYLGWDGC-MRXNPFEDSA-N 275.452 4.611 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@@H](C)CCC 2276826693 MZUWUFVHUYJKKW-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CN(CCCCCCCS)CC(F)(F)C1CCCC1 2277502599 LUBJFOHCCGXVRP-UHFFFAOYSA-N 293.467 4.624 30 10 CJEE C[C@H](c1ccccc1F)N(C)CCCCCCCS 2277503501 XZCGKGHTOFUEGW-CQSZACIVSA-N 283.456 4.699 30 10 CJEE C[C@@H]1CCC[C@H](CCN(CC#N)C2CCCCCC2)C1 2279817200 ZQURFTPTUYFBPH-IAGOWNOFSA-N 276.468 4.751 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1C[C@@H]1C(C)C 2284093414 YHMFAUBTKVPPIB-FGTMMUONSA-N 275.480 4.643 30 10 CJEE Cc1nc2ccc(Nc3cc(Cl)ccc3C#N)cc2s1 2285178444 FEFGKYOOVJTXQR-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE CCCCCCCn1c(C(F)(F)F)nc2c1CCCC2 2286766740 XYXUXSYSIOWLSB-UHFFFAOYSA-N 288.357 4.751 30 10 CJEE C=CCCCCCCCS[C@H](c1ccccn1)[C@H](C)N 2287097220 SYPIROBBCZXYAS-RDJZCZTQSA-N 292.492 4.730 30 10 CJEE C=CCCCSCC[C@H]1CCCC[C@]1(C#N)NC(C)C 2288875481 OWUXIRCVJLTVIF-IAGOWNOFSA-N 294.508 4.526 30 10 CJEE CN[C@H](CC#CC1CCCCC1)[C@@]12CCCC[C@H]1CC2 2288942270 YUHKJUAKNRILED-IPMKNSEASA-N 273.464 4.519 30 10 CJEE N#Cc1cc2ccccc2nc1SC1CC2(CCC2)C1 2288955346 ZMLSGCLCRNMUIA-UHFFFAOYSA-N 280.396 4.531 30 10 CJEE Cc1ccc(NCC#CC2CCCC2)cc1C(F)(F)F 2289839528 FEZHGNBRZUOSSV-UHFFFAOYSA-N 281.321 4.619 30 10 CJEE CC(C)(C)CC1CC(C[C@]2(C#N)CCCOC2(C)C)C1 2290110245 OYICAYDFMQZAME-JMLCCBQJSA-N 277.452 4.938 30 10 CJEE C=CCC[C@](C)(CCCCCCCC)OCCC(=O)O 2290627084 QLZJZUYQFSKCMR-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCC[C@@H](CCCCCCCCC)OCCC(=O)O 2290762247 ZYWNFVOQYNCHFV-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@@H](OCCC(=O)O)c1cc(C)cs1 2291455905 JFONWZXYBBGNCX-CQSZACIVSA-N 296.432 4.725 30 10 CJEE C=CCCCCCCC[C@@]1(OCC(=O)O)CC[C@@H]1CC 2291820690 YCRCZKDNZIHIBC-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1C[C@H]1CCC 2292781090 DOPBWMRNRWAXPT-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@]1(OCCN)CCC(C)(C)C[C@@H]1C 2292884259 DYBNEYQUGLKMQR-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cccc(SC)c1 2292902914 MZANPCQFYHYBNO-QGZVFWFLSA-N 293.476 4.561 30 10 CJEE C=CCCCC[C@@H](OCCCN)[C@H](C)C1CCCCC1 2293268257 HVERKJNXUJMFHX-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(OCCN)[C@@H]1CC1(C)C 2293497692 AYUOKCPUPQQDRZ-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(CC[C@H]1C[C@H]1C)OCCCN 2293767551 MTBWLQAZBOHQAM-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCCCCC[C@@](CC)(OCCCN)[C@@H]1CC1(C)C 2294031570 BPKCMDMXECBLKJ-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@H](OCCCN)c1sc(C)cc1C 2294047107 FCZNDYOQTUJSQB-INIZCTEOSA-N 295.492 4.908 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCCC12CCC2 2294428830 WXKGMUVBBSFGJI-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CC(C)(C1CCCCC1)[C@@H](N)C#Cc1ccccc1Cl 2295221765 MJNPDNUILRJECS-KRWDZBQOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)C[C@@H]1C=CCC1 2295682173 NKAFNELUSHVIAH-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CN(C)C(C)(C)C1 2295683649 DTFCMYMMMJZDQA-IRXDYDNUSA-N 282.516 4.588 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1coc(C)n1 2295686046 DKCVYYQBOUIMDQ-OAHLLOKOSA-N 280.456 4.644 30 10 CJEE CC1(C)CCCC(=Cc2cccc(OCCCC#N)c2)C1=O 2298631080 FGOKUBPIYLFMJH-UHFFFAOYSA-N 297.398 4.532 30 10 CJEE C=CCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2299035924 SPCCGAGVAPDUMJ-GFCCVEGCSA-N 276.182 4.749 30 10 CJEE N#C[C@@H](c1ccc(Cl)c(F)c1)C1CCCCC1 2300101882 LVZRHJODNFXLSQ-GFCCVEGCSA-N 251.732 4.667 30 10 CJEE CC(C)CC(CC(C)C)O[C@@H](C)CC(C)(C)C#N 2313619025 XDTMOXVCTVAKBO-AWEZNQCLSA-N 253.430 4.792 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCC)C1CCCCCC1 2313647228 FJXHTJSYTZZAQZ-ZBFHGGJFSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)[C@]1(N)C[C@@H](C)Sc2sccc21 2316735395 BDPMMKUIAVSKTK-IAQYHMDHSA-N 279.474 4.555 30 10 CJEE CCCC#C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318360252 ZSCRLCJDURXKCX-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CC[C@@H]2C(C)(C)C)C1 2320290379 XBHJGIMACUTSSI-WBTNSWJXSA-N 250.426 4.844 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)c(C)cc1F 2321127608 KYULCPDXQFQRKR-AWEZNQCLSA-N 269.791 4.650 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@H](C)C1)NCCC 2321130585 KKNWHFKWHXZMOH-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE CCCc1ccccc1OC[C@H](CS)CC(C)C 2328522550 IGSABKIVXYQWIU-CQSZACIVSA-N 266.450 4.610 30 10 CJEE Cc1ccc(C)c(OC[C@@H](CS)CC(C)C)c1C 2328523042 XWKJTMPJKGQYCM-HNNXBMFYSA-N 266.450 4.583 30 10 CJEE CC[C@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]2c2ccccc2)C1 2332782030 HNGZXHLUGNGCOL-DKIMLUQUSA-N 256.389 4.576 30 10 CJEE C=CCC(CC=C)[C@H](CC1(CSC)CC1)NCCC 2338739509 WOEOWGBDJFTPKH-INIZCTEOSA-N 281.509 4.656 30 10 CJEE C=CCCCCC[C@H](N)c1cc(F)ccc1C1CC1 2341789291 PFSMLNRPOAFYKA-KRWDZBQOSA-N 261.384 4.839 30 10 CJEE C=CCC[C@H](C)[C@H](C[C@H]1CC[C@@H]1C1CC1)NCCC 2342281826 UCAVBQBZGYDRSA-HPBDAGMYSA-N 263.469 4.783 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1CNc1ccc(Cl)c(C#N)c1 2343364042 VGKIFAOXFQQOOP-FZMZJTMJSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC#CC1CCCCC1)NC 2344385914 SKBQGEXLDWFNLX-ZWKOTPCHSA-N 261.453 4.541 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccnc(C(F)F)c1C 2344421805 UIYWOWPNDBTWIE-OAHLLOKOSA-N 267.319 4.503 30 10 CJEE C=CCCCCCCCS[C@](C)(C(=O)O)C1(C)CC1 2351896336 LQANEJQCKNJXQD-MRXNPFEDSA-N 284.465 4.890 30 10 CJEE C=CCC(CC=C)S[C@](C)(C(=O)O)[C@H]1CCC1(C)C 2351988082 AZDCABFXFTXJOL-BBRMVZONSA-N 282.449 4.520 30 10 CJEE CC(C)C[C@@H](CS)CN1CCC[C@H]1C1CCCCC1 2353830722 FGSPEZOLKGYFLG-WBVHZDCISA-N 283.525 4.623 30 10 CJEE CSc1cc(Nc2cc(C)ccc2C)ccc1C#N 2353836398 RCBXSUYCJCTAHJ-UHFFFAOYSA-N 268.385 4.641 30 10 CJEE CSc1cc(Nc2cccc(F)c2Cl)ccc1C#N 2353840859 FMCDQOFESCTBNL-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1ccc(C#N)c(Cl)c1)C2 2354150672 MCMWYUULHRKPHW-UNEWFSDZSA-N 288.822 4.982 30 10 CJEE CCCOc1ccc(N[C@H](CC#N)c2ccccc2)cc1 55019201 FWVPUKJSWQFDCD-GOSISDBHSA-N 280.371 4.542 30 10 CJEE Cc1cc2nc(-c3ccccc3C)n(CCC#N)c2cc1C 57801641 NOEGBEGGKPHNIC-UHFFFAOYSA-N 289.382 4.542 30 10 CJEE N#CC[C@@H]1CCCC[C@@H]1c1ccccc1Br 62670607 MOKZOXUAFQHQKP-RYUDHWBXSA-N 278.193 4.637 30 10 CJEE CC(C)(C)c1ccccc1N[C@@H]1CCCCC[C@@H]1C#N 71174201 BTQPFEDFEHCUOO-GDBMZVCRSA-N 270.420 4.868 30 10 CJEE CCCOc1cccc(-c2cc(CC#N)c(C)s2)c1 77094517 JMGBYPOLNVJYFO-UHFFFAOYSA-N 271.385 4.578 30 10 CJEE C=CCCCN(C)C(=O)c1sc2ccccc2c1Cl 78827916 SJKIWIVPUJBOHA-UHFFFAOYSA-N 293.819 4.593 30 10 CJEE CC[C@@H](CSC)N(C)CCCCCCCCCS 97799566 YDLQKCOBXXFCII-HNNXBMFYSA-N 291.570 4.720 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)cc(F)c2)C1 97920667 MHFAHZGNXRUXGN-WBMJQRKESA-N 263.331 4.617 30 10 CJEE CCCCCCCCNCc1ccc2[nH]ccc2c1 106267514 AVEDWNRIBRAHKA-UHFFFAOYSA-N 258.409 4.618 30 10 CJEE Cc1cc(C(C)(C)C)ccc1Oc1ccc(N)cc1C#N 109978818 ZPTMCUCEIOEBBL-UHFFFAOYSA-N 280.371 4.539 30 10 CJEE CCCCCCCCCCOc1ccc2c(c1)OC[C@@H]2N 110101061 YNXXCMRHEGUQBY-KRWDZBQOSA-N 291.435 4.598 30 10 CJEE CCCCCCCCCNCCCN(C)C1CCCCC1 110164445 SEIMPEBIEQJIJQ-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@@H](C)NCCC 111712412 FHJSQTACDSECTG-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC(=O)C1Cc2ccccc2C1 116258521 XCWVPRNMCYUPLR-UHFFFAOYSA-N 258.405 4.721 30 10 CJEE CCCCCCCCC(=O)C(CC)(CC)N1CCCC1 118170885 BWHFEAAHBUWVJZ-UHFFFAOYSA-N 281.484 4.961 30 10 CJEE CCCCCCCCn1cccc1[C@@H](C)NCCC 118238698 FDZUOJOWOAONHF-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(CCC)cc1 123033656 GNGNZPDTVIOUBF-GOSISDBHSA-N 276.468 4.894 30 10 CJEE CC#CCC[C@@H](NCCC)c1cc2c(s1)CCCCC2 124671480 SDMNNVSMDXBGKU-MRXNPFEDSA-N 289.488 4.861 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc(Cl)cn1 125109146 HSUHBCGATYCUJL-AWEZNQCLSA-N 268.832 4.746 30 10 CJEE CCSc1cccc(N[C@@H](C)C(CC)CC)c1C#N 127058409 DBMUFVWLRDIDCG-LBPRGKRZSA-N 276.449 4.907 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@]1(C)CCCCO1 127247795 KPJRAIXTAFEVGW-IAGOWNOFSA-N 269.473 4.804 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCSC(F)(F)F)C1 130944883 JQUNGGXABQYIAO-GHMZBOCLSA-N 265.344 4.740 30 10 CJEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)cc1F 135232717 RCQVYWNPBYQVHN-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCCCn1sccc1=O 138386586 XNZFZRQEAZMSIS-UHFFFAOYSA-N 269.454 4.831 30 10 CJEE CCCCCCC[C@@H](N)[C@@H]1CCCc2sccc21 139574487 JCKGLQFJSCEVCF-UKRRQHHQSA-N 265.466 4.856 30 10 CJEE C[C@@H](NC[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl 141298722 UAZFDGQABWMENQ-GHMZBOCLSA-N 299.245 4.830 30 10 CJEE CCCCCCCCCC[C@H](N)C[C@H](C)COC 143414385 ZCVPMEOXHMHWGM-HOTGVXAUSA-N 257.462 4.517 30 10 CJEE N#Cc1c(Cl)cccc1Oc1ccc(Cl)c(F)c1 156268953 SZDNZSGYCALUCH-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=C[C@H](C)N[C@@H](c1cccs1)c1ccc(Cl)s1 159741074 CYZMDPNWIHDBPS-ZANVPECISA-N 283.849 4.717 30 10 CJEE CC(C)(C)CC(C)(C)NCc1ccc(C#N)cc1Cl 162675477 ZMVSRQZBJRSQLH-UHFFFAOYSA-N 278.827 4.516 30 10 CJEE CCCCCCCC(=O)Cc1c(Cl)c(CC)nn1CC 167463268 YPVGUUOXELWDHS-UHFFFAOYSA-N 298.858 4.591 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F 168249677 ANXDKNIHNCSYCP-HIFRSBDPSA-N 274.383 4.714 30 10 CJEE CCCCCCCCCOc1ccc(C(C)=O)c(O)c1 205482908 NSJXLPYXWWKXQP-UHFFFAOYSA-N 278.392 4.724 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccc(O)cc1 215466121 NWEVSFDOWDMTHS-KRWDZBQOSA-N 264.409 4.740 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2c(C)cccc2C)C1 215756482 JVFUVQKXFUOSFB-AEFFLSMTSA-N 255.405 4.956 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 218128246 ZBVCWCGLRRYWDY-GUDVDZBRSA-N 296.543 4.836 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(OCCCC#N)c1 221988454 IPQPGDDRSQGIBH-RVKKMQEKSA-N 286.419 4.606 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)C2CCCCC2)C1 222185593 MKZBDMSEVSZSIB-RYRKJORJSA-N 276.468 4.750 30 10 CJEE C[C@H]1CCC[C@@H](S[C@@H]2C[C@@H](C)CC[C@@H]2C#N)C1 226532528 VUPCRGYBHGWFML-VQJWOFKYSA-N 251.439 4.627 30 10 CJEE N#Cc1ccc(Cl)cc1OCCCCc1ccccc1 228444518 MQNHSNKTDJFVDV-UHFFFAOYSA-N 285.774 4.613 30 10 CJEE C=C(CC)C[C@H](NC)c1cc2c(s1)CCCCC2 229757371 DJDJRWSMCPXQHU-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCCc2cccnc21 229783011 XKSOEKXXZNTDAH-QZTJIDSGSA-N 288.479 4.840 30 10 CJEE CC(C)[C@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 231003916 DJUGRIPABLGKRH-XJKSGUPXSA-N 276.811 4.860 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccoc1CC 232920336 RSRXQWIPFMNHDB-OAHLLOKOSA-N 251.414 4.853 30 10 CJEE CCCCCCCCOCCC[C@H](CC)NCC 232959448 IRYZEIXTEYJOEM-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCC[C@H](CN)N(CCCC)C1CC1 232974161 HVQLFEKWPWNBNR-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=CCCCCC[C@@H](CCc1ccccc1)NCC 233536142 BDXRKVTVDCPCFQ-SFHVURJKSA-N 259.437 4.734 30 10 CJEE CC[C@H](C)C[C@H](C)Nc1ccc(C#N)c2ccccc12 234005915 DBLIHOCWQRAVMU-KBPBESRZSA-N 266.388 4.948 30 10 CJEE C=CCCCCC[C@@H](NC)c1cc(C)c(C)s1 234456641 FAGDFARLVOXSAQ-CQSZACIVSA-N 251.439 4.762 30 10 CJEE C[C@H](Nc1ccc(C#N)c2ccccc12)C(C)(C)C 235563989 CXOPPWJQLFFOMO-LBPRGKRZSA-N 252.361 4.558 30 10 CJEE C=CCCCCC[C@H](N)C1(c2ccccc2)CCCC1 236300947 FKPKFZSYLRFUNB-SFHVURJKSA-N 271.448 4.962 30 10 CJEE CCCCCCC[C@H](NN)[C@@H]1CC[C@H]2CCCC[C@H]2C1 252997869 HKMRHHOCZQSVME-XDNAFOTISA-N 280.500 4.785 30 10 CJEE CCSc1cccc(N2C[C@H](C)C[C@H](C)[C@H]2C)c1C#N 253100267 PXPBEIUPFDFFBR-HZSPNIEDSA-N 288.460 4.541 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCC[C@H](CC)C1 300258626 YAQPGWANNNLHBF-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=C(C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 309802072 WPKDWXBRQGYFDQ-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C=CCCCCN[C@H](CC)c1ccc(Br)cc1 310091776 RPXWRSGQOZZCFM-OAHLLOKOSA-N 296.252 4.846 30 10 CJEE CCCCCCCCOC[C@@H](NCC)C(C)(C)CC 311987538 PLSJNQNCSMABRV-MRXNPFEDSA-N 271.489 4.778 30 10 CJEE CCCCCCCOc1cc(C)c(C(N)=S)c(C)c1C 312609589 OELKHBMBLGSZCY-UHFFFAOYSA-N 293.476 4.595 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)sc2Cl)CCCCC1 312660891 HLUNSXPQTBPYLD-SNVBAGLBSA-N 290.215 4.562 30 10 CJEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(F)cc1Cl 313408886 JYEPYJWZHJTAJH-LLVKDONJSA-N 288.753 4.718 30 10 CJEE CCCCCCCCC[C@H](CNCCC)OC(C)C 316672823 HAQDELHUQOQKLE-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE C=CCCC[C@@]1(CNCCC)CCC[C@@H](CC)C1 317796676 GGQGTDHMILOPDA-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCC1CCC(C#N)([C@@H]2C[C@@H]2c2ccccc2)CC1 388692226 UKVVHHWYYVIKHS-FZBQFSLMSA-N 253.389 4.900 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CCCCC2(F)F)C1 394318837 HPLQLGNIVMPFKE-MCIONIFRSA-N 255.352 4.922 30 10 CJEE C=CCCC[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2N 398161788 WBVOHAYEWZLDNS-BBRMVZONSA-N 274.452 4.686 30 10 CJEE C=CCCC[C@@H](C)n1c(S)nc2cc(Cl)ccc21 398319672 XRWZPLPLSLDGQX-SNVBAGLBSA-N 280.824 4.896 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)NCC(=C)CC 455252550 VATYZYLEFJKZNK-UHFFFAOYSA-N 286.419 4.626 30 10 CJEE N#Cc1cc(F)ccc1-c1cc(Cl)ccc1Cl 514261022 HYRPSIMLBYUCEP-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE N#CCc1cc(-c2c(Cl)ccc(Cl)c2Cl)ccn1 514264089 JRFORABXMSKYGF-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(SCC)cc1 686681469 RWXXNMFDCUZBBD-QGZVFWFLSA-N 275.461 4.643 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cccc(F)c1Cl 686690825 JLJLAOUCCXRUHP-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1cc(Cl)ccc1C#N 689776289 FQPDNZQDTTZATM-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE Cc1cc(NCc2cc(C#N)ccc2F)cc(C)c1Cl 690305008 PKKHDLGIJLVZHG-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=CCC1(Nc2c([N+](=O)[O-])ccc(Cl)c2F)CCCC1 690710224 BRIBPQIPMRUELC-UHFFFAOYSA-N 298.745 4.688 30 10 CJEE CCC(C)(C)CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 697212568 YBHUDAFTJLJVEK-LBPRGKRZSA-N 298.213 4.996 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3CCCC34CC4)n2)cc1 706219174 MEZMTNBYIPJFLP-CQSZACIVSA-N 280.396 4.729 30 10 CJEE C=C(CN[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccccc1 708254855 MLXXMDGBNHQHCY-WMLDXEAASA-N 257.421 4.504 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cn1 709385057 ZLJCMJZZCHYBDE-WCQYABFASA-N 284.325 4.647 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1ccc2ccccc2c1 710581438 ISAMPVWKRXLTFF-MRXNPFEDSA-N 259.780 4.633 30 10 CJEE CCCC1(C/N=C2/NC3(CCCCCCC3)CS2)CC1 713201116 AIJDAMNKCQFYMR-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(Cl)c1C 715703251 GGMKANNXTMBOKG-XHDPSFHLSA-N 251.801 4.511 30 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286.396 4.617 30 10 CJEE C=CC[C@H](CC)Nc1cc(SCc2ccccc2)ncn1 1307116405 KNICLFMXEKPZRQ-HNNXBMFYSA-N 299.443 4.536 30 10 CJEE C=C(C)CCN[C@@H](Cc1ccccc1)c1ccc(OC)cc1 1307814135 UEQGLSZZTYRHJI-FQEVSTJZSA-N 295.426 4.535 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCc2c(F)cccc21 1308793138 PIIPLTZDZYVCPU-RDTXWAMCSA-N 275.411 4.928 30 10 CJEE C=CCC(C)(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 1348561794 BMPCCHLYSJZHLW-UHFFFAOYSA-N 296.366 4.987 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(Cl)c(CCC)c1 1357587200 OZJOUFQRSXBJTG-CYBMUJFWSA-N 293.838 4.767 30 10 CJEE C=CCC[C@@H]1CCCN1CCc1cccc(Cl)c1Cl 1460885439 FKQYSJLWYKWTEH-CQSZACIVSA-N 298.257 4.967 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 1462610397 CIWKNVHOGIGNET-BPUTZDHNSA-N 293.401 4.935 30 10 CJEE C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1CCC(C)C 1470905335 XIMKMJJYQPVDMG-MRXNPFEDSA-N 294.483 4.589 30 10 CJEE CCCCCCCCCCCC(=O)N1CCC[C@@H]1C 1523542478 SDPXPLOQLSDUKE-INIZCTEOSA-N 267.457 4.918 30 10 CJEE C=CCC[C@H](NC(=O)c1csc(C)c1C)c1ccccc1 1534343823 HBECNPBZMZKVFU-KRWDZBQOSA-N 299.439 4.802 30 10 CJEE C=CCC[C@H]1CCCN1Cc1ccc(C(F)F)cc1 1560199838 FLQKFDSMYNOZSL-HNNXBMFYSA-N 265.347 4.555 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1CCC=C 1624138662 RAESHVFMLZFPLU-KRWDZBQOSA-N 298.430 4.768 30 10 CJEE C#C[C@H]1CC[C@H](NC(=O)CCCCCCCCCC)CC1 1625394630 MLVGRTBOUILHHO-IYARVYRRSA-N 291.479 4.825 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H]2CC2CCCCC2)CC1 1626026248 TYUKUCPVHQDKAR-SFHVURJKSA-N 289.463 4.694 30 10 CJEE C=CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1C(C)C 1626384966 RPHXEJXGGIDNBY-NSHDSACASA-N 280.799 4.550 30 10 CJEE C=CC[C@@H](C)Sc1nccn1-c1ccc(C)c(C)c1 1640747944 ZRQSQKUOKUNSME-CQSZACIVSA-N 272.417 4.546 30 10 CJEE C#CCN(CC1CCC2(CC1)CC2)[C@@H]1CCc2ccccc21 1641587727 FFAXVVKFVWMYSG-HXUWFJFHSA-N 293.454 4.580 30 10 CJEE C=CCCCN1CCc2ccccc2[C@@H]1c1ccccc1 1654556609 ITPWCFGFZQXFEH-FQEVSTJZSA-N 277.411 4.600 30 10 CJEE C=CCOc1cccc(CNc2ccc(CCC)cc2)c1 1655354385 ZPQDHXRAOAUQDK-UHFFFAOYSA-N 281.399 4.816 30 10 CJEE N#C[C@@H](CCc1ccccc1)Sc1ccc(F)cc1F 1656172887 GLZTVKXZNJYPHA-CQSZACIVSA-N 289.350 4.582 30 10 CJEE C#Cc1cccc(N(Cc2ccccc2)C[Si](C)(C)C)c1 1657774311 DUZDFTBHMYXOGV-UHFFFAOYSA-N 293.486 4.552 30 10 CJEE C=CCC1(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CCCC1 1658096565 BWBBHYLJKHBPFS-MDMSPXHWSA-N 273.464 4.537 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@@H](C)Cc1ccc(F)cc1 1658330676 QHAXCMMVAOOUNP-JXFKEZNVSA-N 297.417 4.534 30 10 CJEE C#CCCCCCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 1664075039 JGZOSSZAOYMYBY-VQIMIIECSA-N 299.458 4.951 30 10 CJEE C[C@@](F)(C[C@@]1(C=O)CCCCC12CCC2)C(F)(F)F 1876598609 WZFZQXZKGOLNHC-DGCLKSJQSA-N 280.305 4.597 30 10 CJEE CC(C)(C)C1(COc2cccc(Cl)c2C#N)CCC1 1876750809 PBENKBDNMIPELN-UHFFFAOYSA-N 277.795 4.807 30 10 CJEE CC#CCCC[C@@H](NCCC)c1cccc(Cl)c1C 1879645740 YTHMTLDRWDDBOH-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1ccsc1Cl 1881299235 GTIMOPOTQFBJJE-UHFFFAOYSA-N 291.847 4.980 30 10 CJEE CC#CCCCC[C@@H](NCCC)C1CC(CCC)C1 1885229780 UJLQBVAVUJDGIW-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc(F)c(Cl)c1 1885235456 FQDZBDJHXHUWEL-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE CC#CCCCC[C@]1(CNC(C)C)CCCC[C@@H]1C 1885237980 RMKMGNFPTNDOOL-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE CCCCCCCCN(C)c1cccc(C)c1C=O 1887060592 GAMQJQMSUKLRLY-UHFFFAOYSA-N 261.409 4.604 30 10 CJEE C#CC[C@@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 1887464082 KKCPOQDAXRHDOK-OCCSQVGLSA-N 298.257 4.564 30 10 CJEE C=C[C@H](NC1CCC2(CCCCC2)CC1)C1CCC1 1892943004 TZUVPFAJOHRFIV-KRWDZBQOSA-N 261.453 4.824 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)cc(OC)c1 1893845610 ZUWWNTGDLXVLEP-QGZVFWFLSA-N 264.409 4.788 30 10 CJEE CCCCCCCO[C@](CC)(C[C@H](C)CC)C(=O)O 1912227156 VWDJGFUAUDIESB-GDBMZVCRSA-N 272.429 4.643 30 10 CJEE CC(C)[C@H]1CCSC(=N[C@@H]2CCC3(CCCCC3)C2)N1 1915907802 IWYOHKYLQNAUKO-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(=S)[nH]c2cc(C)ncc21 1918336811 FTMMETWQDLWIDP-OCCSQVGLSA-N 287.432 4.710 30 10 CJEE CCCCCCCC(=O)[C@@](C)(O)CCCCCC 1919406906 HXITZXLSQCIIHE-INIZCTEOSA-N 256.430 4.637 30 10 CJEE CCCCCCC[C@](C)(N)c1cccnc1C(F)(F)F 1919498064 PTPLCOLRKCGJSB-AWEZNQCLSA-N 288.357 4.635 30 10 CJEE C=C(C)CN(CC[C@@H]1CC1(C)C)Cc1ccccc1 1953666049 WBLRPWSHCUQZIY-QGZVFWFLSA-N 257.421 4.501 30 10 CJEE CCCCCCCCCCN1C2CCC1([C@@H](C)O)CC2 1966579174 LAUKNEOKXOGVTK-WWDZGPRUSA-N 281.484 4.505 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cc(Cl)ccc1Cl 1975921469 MTXIAQBUQBTAHB-SECBINFHSA-N 257.160 4.778 30 10 CJEE C=C(Br)CCN(C)C1CCCCCCCC1 1980378959 ZGVBGBXVMHMTID-UHFFFAOYSA-N 288.273 4.720 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1cc(C)ccc1Cl 1996468267 ULPZZVMCDSLQDG-WFASDCNBSA-N 251.801 4.511 30 10 CJEE C=C1C[C@H]1CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 1996734611 LMVUNFNZNLQZFX-IUCAKERBSA-N 290.621 4.874 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1snc(Cl)c1Cl 2002107072 HIOOAHQHJPECRS-WCBMZHEXSA-N 293.263 4.703 30 10 CJEE C#CCCCC[C@H](NCC)c1scc(Cl)c1Cl 2005473945 JSUXFXIIDXIZRV-NSHDSACASA-N 290.259 4.899 30 10 CJEE C=CCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1 2009488609 BJLGHGXLQDWRBZ-LBPRGKRZSA-N 272.219 4.610 30 10 CJEE 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30 10 CJEE N#Cc1cnc2ccccc2c1Nc1cccc(Cl)c1F 36913296 VHVIDKHWYFLASX-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(Cl)ccc2C#N)cc1 36954462 UQODGDIPZXSDEI-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE COc1cccc(N[C@@]2(C#N)CCCC[C@@H]2C(C)(C)C)c1 37937713 XEESIUFYSNBLEE-SJLPKXTDSA-N 286.419 4.606 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1ccc2ccccc2c1 37970070 ZOTLDUBOIHDTSS-IBGZPJMESA-N 278.399 4.717 30 10 CJEE N#C[C@@H]1CCC[C@H]1Nc1ccc(Oc2ccccc2)cc1 54823241 LZHDLVAIGOTAAA-KBXCAEBGSA-N 278.355 4.583 30 10 CJEE CCOc1ccc(OCCC[C@H](C#N)c2ccccc2)cc1 57684537 ZSJZENJEMZUYQS-QGZVFWFLSA-N 295.382 4.552 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2cc(C)cc(C)c2)cc1 57684920 LGSQZJRMNWDTBG-GOSISDBHSA-N 279.383 4.688 30 10 CJEE Cc1cc(C)cc(OCCC[C@@H](C#N)c2cccc(F)c2)c1 57688532 OUVOSSJJMWYFGQ-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE CCCCCCCOc1ccccc1/C(CC)=N/O 59089418 CDMYKROLYANSQI-BMRADRMJSA-N 263.381 4.624 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)[C@@H]1CCCCC[C@@H]1C#N 62014196 VPIWSAJUNPTTOK-FRFSOERESA-N 290.838 4.805 30 10 CJEE N#C[C@H](C(=O)CCC1CCCC1)c1ccc(F)cc1Cl 62610320 MGUZNYSWZXWWCH-AWEZNQCLSA-N 293.769 4.626 30 10 CJEE CCOc1cccc(-c2nc(C3CC3)c(CS)s2)c1 82436688 VAIQDJYRXFAIPM-UHFFFAOYSA-N 291.441 4.516 30 10 CJEE CCCC[C@@H](CC)Nc1ccc(C#N)c(C(F)(F)F)c1 88191300 JFEVMFMHCRHOAR-GFCCVEGCSA-N 284.325 4.958 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](N)c1ccccc1 95810775 BXMPZTSRTCGRLF-SFHVURJKSA-N 275.436 4.786 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(F)c(Cl)c1 97208749 IADVCIRHXRHOTE-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(Cl)cc1 100903063 CBCDOHHLAAAFIV-MKLFLIHKSA-N 274.791 4.749 30 10 CJEE Cc1ccc(F)c(N/C=C\C(=O)c2cc(C)ccc2C)c1 103031129 NPEZRPREVYCBRX-HJWRWDBZSA-N 283.346 4.559 30 10 CJEE CCCCCCCCCCn1nc(C)c([C@@H](C)O)c1C 108045023 KZIZPQABNQNCGH-MRXNPFEDSA-N 280.456 4.694 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H](C)C1 109901126 NVPMYRPFMRQBNW-ZIAGYGMSSA-N 261.434 4.955 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 109945490 JZCBNBNNLOGBTQ-FDQGKXFDSA-N 270.420 4.739 30 10 CJEE CCCCCCCCN1C[C@@H](C2CCCCC2)NC[C@@H]1C 115253731 XEUHDVLZNPTOKH-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CC1(C)CCC(Oc2cccc(Cl)c2C#N)CC1 125265457 PQRPAZAVXKSMNQ-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(C)c(Cl)c1 125787441 DYFOOJKUWLYJPP-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE CCCCCCCC[C@H](NN)C1CCC(C)(C)CC1 126740457 YGIGSSXSZUVHES-INIZCTEOSA-N 268.489 4.785 30 10 CJEE CCCCc1ccc(Nc2ccc(C#N)c(C)c2)cc1 126856826 FMRFRWLVRGUYOU-UHFFFAOYSA-N 264.372 4.953 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CCCc2sccc21 135357072 DWALNGNOQLZNJG-HIFRSBDPSA-N 266.450 4.889 30 10 CJEE CSc1cccc(Nc2ccc(OC(C)C)cc2)c1C#N 136618909 BTEHUCGUERNPJQ-UHFFFAOYSA-N 298.411 4.811 30 10 CJEE CCSc1cccc(OC2CCC(C)CC2)c1C#N 136701741 CEYCTTYWAKQHBO-UHFFFAOYSA-N 275.417 4.628 30 10 CJEE CSc1cccc(Sc2ccccc2C)c1C#N 136993250 OSSKWCUHZJHNQR-UHFFFAOYSA-N 271.410 4.740 30 10 CJEE CCCCCCCCCN1CCCCC[C@H]1CC(C)=O 149958195 RBAMCAYZBPPIOG-SFHVURJKSA-N 281.484 4.961 30 10 CJEE CCCCCCCCCC(=O)C1(CN)CCCCC1 158039193 GFPRPPKPTGCEGT-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE CCc1ccc([C@@H](O)C2(C#N)CCCCCCC2)s1 158985115 IEMGQGHPUALTGK-OAHLLOKOSA-N 277.433 4.598 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](CC)OCC 159784408 ZLMDTUKMPAUTHM-CVEARBPZSA-N 257.462 4.530 30 10 CJEE Cc1cc(OCc2cc(F)cc(C#N)c2)ccc1C(C)C 163704328 QTFFWTPOOVHMBW-UHFFFAOYSA-N 283.346 4.708 30 10 CJEE CCCCCCCCC(=O)[C@@H]1CCOC2(CCC2)C1 168315887 XUMHBZXLTSLBKH-OAHLLOKOSA-N 266.425 4.655 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC=C 191429183 PYHWESJVMATUTJ-AWEZNQCLSA-N 286.419 4.625 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1CC[C@@H](C)[C@@H](C)C1 217318898 VWFFWNMVWNMEKK-TWMKSMIVSA-N 268.489 4.641 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@]1(C#N)Nc1ccccc1F 222556291 PRWLENJQLIMKGF-CPUCHLNUSA-N 274.383 4.592 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCc2cccnc21 229816873 YBRUKUJSRGEFME-MSOLQXFVSA-N 288.479 4.840 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 230988883 NMXYLYIONFYVHC-IUODEOHRSA-N 276.811 4.838 30 10 CJEE C=CCCCCCC(=O)c1cc2c(s1)CCCC2 232568407 KIEQQHNNSGOBBF-UHFFFAOYSA-N 262.418 4.946 30 10 CJEE CC(C)c1ccccc1NCCCCC(C)(C)C#N 232759334 ITHWJEVPICSPJZ-UHFFFAOYSA-N 258.409 4.942 30 10 CJEE CCCCCCCCCCCC[C@H](CCO)C(C)=O 232909541 HBQAKXQZVCJLKI-QGZVFWFLSA-N 270.457 4.885 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(SCC)cc1 233123203 RGNWLRSOHGCSRF-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE C=CCCCCC[C@@]1(C(=O)O)CCC[C@@H](CC)C1 233922755 HGPVOQVXSZTIDA-GDBMZVCRSA-N 252.398 4.794 30 10 CJEE CC[C@H](Nc1ccc(C#N)cc1Cl)c1cccc(F)c1 234039758 JOAGNAOLZDXEGS-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CSC1(CNc2ccc(C#N)c(Cl)c2)CCCCC1 235159633 WLWDKTKHRMBUNE-UHFFFAOYSA-N 294.851 4.689 30 10 CJEE O=C(C1=CCCCC1)c1cc(Cl)cc(Br)c1 236063446 FBUBLRYXPTZUDF-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCCCCC[C@H](O)CSc1ccc(Cl)cc1 236535058 WXDGOPNZAHNLLI-AWEZNQCLSA-N 284.852 4.930 30 10 CJEE C=CCCC[C@H](NC)[C@H](c1ccccc1)[C@H](C)CC 253052796 WNSNDYPEDDCFHU-NJAFHUGGSA-N 259.437 4.761 30 10 CJEE CC(C)(C#N)Cc1csc2c(Br)cccc12 260031791 BNKDGWZUBVDKEP-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@]2(C#N)CCC[C@@H](C)C2)C1 300327659 LIJDPEYUDBPFTB-XMTFNYHQSA-N 277.452 4.674 30 10 CJEE CCC1CCC(C#N)(C[C@H]2CCC(F)(F)C2)CC1 302428469 MHHLCCLVOILAQD-ROKHWSDSSA-N 255.352 4.922 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(C)cc(N)c1 308107181 OANCWTOVQMHNLB-KRWDZBQOSA-N 263.425 4.751 30 10 CJEE C=CCC(C)(C)CNCc1c(Cl)cccc1Cl 310489425 NWTLKVUPHUVSIH-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE CCCCCCC[C@@H](NC)c1c[nH]c2ccccc12 311333354 DUJYAYJMUPLJRA-MRXNPFEDSA-N 258.409 4.789 30 10 CJEE CC(C)(C)C#CCC1(CN)CCC(C(C)(C)C)CC1 311408912 XZKNNHUDRLJUBG-UHFFFAOYSA-N 263.469 4.607 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CSc1ccccc1 312329343 NCUMCDSKPGIESN-INIZCTEOSA-N 289.488 4.587 30 10 CJEE CCCC[C@@H](C)N(C)c1ccc(C#N)c2ccccc12 312627595 HGBNPYWHPJEBJG-CQSZACIVSA-N 266.388 4.726 30 10 CJEE CCN[C@@H](C#Cc1ccccc1)c1cc2sccc2s1 315129085 RIJFJQXTMHQLOE-AWEZNQCLSA-N 297.448 4.665 30 10 CJEE CC[C@H]1CCCC[C@@H]1C1(C=O)CCC(C)(C)CC1 316823236 KPQCQKXEXSKXIB-GJZGRUSLSA-N 250.426 4.988 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCCSC)C1 320294583 DBQFXDCJRDGPBZ-MCIONIFRSA-N 271.495 4.581 30 10 CJEE C=CCC[C@@H](CO)NCCCCCCCCCCCC 320716459 HVVXJYLIOYWOPY-SFHVURJKSA-N 283.500 4.824 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](CCCC#N)c1ccccc1 340451614 OOLLTZGHHUKLDA-MSOLQXFVSA-N 270.420 4.756 30 10 CJEE C=C(C)CN(CC)c1cccc(Cl)c1[C@H](C)NCCC 383623485 SISKKBGYPDAGCE-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE C=CC(C)(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 384838607 HSBDJLLSYQYYQY-UHFFFAOYSA-N 289.162 4.526 30 10 CJEE C[C@]1(c2ccc(Cl)cc2Cl)CCC[C@H](CC#N)O1 386465295 TXEXPDMKOTVVMY-BXUZGUMPSA-N 284.186 4.691 30 10 CJEE C=CC[C@@H](CC)N[C@@H]1CCC(C)(C)c2ccccc21 393786329 VBSROAZVGXIGFQ-RHSMWYFYSA-N 257.421 4.743 30 10 CJEE CC(C)(C)[C@H](CS)COc1ccc(Cl)c(F)c1F 396708322 PLWSIZSQOKJBNI-QMMMGPOBSA-N 294.794 4.589 30 10 CJEE N#C[C@@H](CN(C1CCCCC1)C1CCCCC1)C1CC1 397260520 IESUBLYISIVUIQ-INIZCTEOSA-N 274.452 4.504 30 10 CJEE CCCCCCC[C@H](CCC[C@H]1CCOC1)NCCC 400963107 NKCVCVCFJLCBLC-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE C=CC(C)(C)CO[C@@H]1CCCCCCCCCC[C@H]1O 402435783 LPDMGGMAZQXWPW-IAGOWNOFSA-N 282.468 4.859 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cccc(C(C)(F)F)c1 444937688 QKXWGTPUXSLAMF-LBPRGKRZSA-N 296.361 4.665 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 686475053 XLWMMPMCMZXRCL-ARFHVFGLSA-N 268.441 4.900 30 10 CJEE C#CCCCCC[C@H](O)c1cc2sccc2s1 686683101 LLILJHWFECTHOA-NSHDSACASA-N 264.415 4.580 30 10 CJEE N#Cc1ccc(N2CCC[C@@H]2C2CCCCC2)cc1Cl 688793680 KGFZOCVXGPLPIK-QGZVFWFLSA-N 288.822 4.761 30 10 CJEE N#Cc1cc(Cl)nc(Nc2cccc(C3CCC3)c2)c1 690263178 XXWLENAAMOGLCE-UHFFFAOYSA-N 283.762 4.618 30 10 CJEE CCc1ccc(N=C2NC(CC)(CC)CS2)cc1Cl 691284256 YTRPUNHABPKXNN-UHFFFAOYSA-N 296.867 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1csc(C(C)(C)C)n1 692239711 NCXQEZWTZNZRTG-HIFRSBDPSA-N 292.492 4.665 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)c1ccccc1 692264717 SKHBLXIMMZLOEJ-KBAYOESNSA-N 257.421 4.515 30 10 CJEE CCCCCCC[C@@]1(CNCCC)CCOC1(C)C 693314699 VYRPDDCSFVBPHU-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE N#Cc1ccc(NCCCC2CCCCC2)c(F)c1F 694079029 VRQRPJIJTLBFFH-UHFFFAOYSA-N 278.346 4.609 30 10 CJEE N#Cc1cc(N[C@@H]2CCCC[C@H]2C2CC2)ccc1Cl 696141157 CIYYJCKTAWNRQT-GOEBONIOSA-N 274.795 4.592 30 10 CJEE C[C@](C#N)(CCCOC1CCCCC1)c1ccccc1 699952513 AWZFAFIKIFNOBF-GOSISDBHSA-N 271.404 4.597 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cccnn1 701771221 LIFDUFKQPBBAAI-INIZCTEOSA-N 277.456 4.787 30 10 CJEE C=CCCCCC[C@@H](NC)c1cccc2cnccc12 702769233 RYGHAQHKSLOTED-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCCC[C@H]1C(F)(F)F 704045394 CUJVBMWGKIHHPP-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CCCCCCCCCC[C@@](C)(N)[C@@H]1CCCCO1 705952601 VJMILIPSJPEUMW-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C=CC[C@@H](C=C)OCCCCCCCCCS 706008133 JHTAFNGUDFKONX-OAHLLOKOSA-N 256.455 4.794 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H]([S@](=O)CC(C)(C)C)C1 718860247 OPXYEMOOYKVCRG-GXNBUGAJSA-N 297.508 4.526 30 10 CJEE CCCN[C@]1(C#N)CCC[C@@H](SCC(C)(C)C(C)C)C1 718870600 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C=CCCCSc1cc(F)cc(F)c1CNC(C)C 2271599655 TXVQKVUIDHUZOA-UHFFFAOYSA-N 285.403 4.521 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H](CC(C)(C)C)OC)C1 2271708482 IECNMYILEAGHIQ-HLLBOEOZSA-N 265.441 4.938 30 10 CJEE C[C@H]1CCC[C@@]1(C=O)Cc1cccc(C(C)(C)C)c1 2274438830 RDOZEYYKUSDFCY-KSSFIOAISA-N 258.405 4.532 30 10 CJEE C=CCCCCCCC[C@H](CCC)OCCC(=O)O 2275534323 BZLHIQHDUPLUOZ-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C=CCCCCCC[C@@H](CCCC(C)C)OCCN 2276160445 BZMRCXYTDQDGDH-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2ccsc2Cl)CC1 2276218528 FBWVTFVTYZLFRX-CQSZACIVSA-N 299.867 4.554 30 10 CJEE C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N(C)CCCCCCCS 2277505797 GEWCAJUGUGBJTH-QAETUUGQSA-N 283.525 4.623 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1CC[C@H]1OC 2278153820 DJEUZAHVBLVEFX-ZACQAIPSSA-N 269.473 4.660 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CC[C@@H]1OC 2278232454 DHRYAPHMNWTVKU-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(Cl)cc(OCC[C@@H]2CCCCC23CC3)c1 2279567988 CTBPTDUUOJYUDE-AWEZNQCLSA-N 289.806 4.951 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CC[C@@H](C(F)(F)F)C1 2279641718 ZEARXPDNVILXPF-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE C#C[C@H](NCC[C@H]1CCCCC12CC2)C1CCCCC1 2279748127 ZKCUXMXZZLCDGR-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC[C@@H](CCC(F)(F)F)Nc1cc(C)c(C#N)c(C)c1 2280568292 FORYYQCZLMULOQ-LBPRGKRZSA-N 284.325 4.708 30 10 CJEE CCCCCCCCN(C)[C@H](CN)c1sccc1CC 2282956427 WUSFOKAXGWRHAU-MRXNPFEDSA-N 296.524 4.603 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(F)ccc2Cl)C1 2283347759 QWBNYALJMQTJLK-XFBWCDHKSA-N 295.785 4.623 30 10 CJEE CC1CCC2(CC1)CC(O)(CC=CC#CC(C)(C)C)C2 2284073371 PEGLFIZKKUUVSN-UHFFFAOYSA-N 274.448 4.704 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)C1CCC(C)(C)CC1 2284078078 XGUDCPFTSNQYCE-IBGZPJMESA-N 276.464 4.950 30 10 CJEE CCCCCCCCCC(=O)c1cnc(C)n1C(F)F 2284775657 HXHWKQDFWNFTID-UHFFFAOYSA-N 286.366 4.910 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H](O)[C@H](CC)C(C)C 2287392549 OXTWYZLMCDXFBU-FGTMMUONSA-N 283.500 4.534 30 10 CJEE CCCCCCCCCCn1cc([C@H](N)C(C)C)cn1 2287908473 XXYHRCZJEFRUFQ-QGZVFWFLSA-N 279.472 4.680 30 10 CJEE N#Cc1cccc(CSC2CC3(C2)CC2(CCC2)C3)c1 2289664055 KQHHKCHBDHVPIQ-UHFFFAOYSA-N 283.440 4.904 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)CC1=CCCCC1 2289698223 PPWXDYPPMZQSNI-IBGZPJMESA-N 273.464 4.829 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1ccc(C(C)C)cc1 2289880234 HSWQVYUNNMETTI-LJQANCHMSA-N 269.432 4.654 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@@H](O)C2CC(CC(C)(C)C)C2)C1 2289939973 PTOFNEGWNQAWSQ-VYHHCALRSA-N 277.452 4.530 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCC12CCC2 2291560069 WUUXOZSBVQIECG-QGZVFWFLSA-N 282.424 4.541 30 10 CJEE C=C(C)CCCC[C@@](C)(CCC1CC1)OCCC(=O)O 2292699494 OVCNAIMHFUCHDL-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCC[C@@H]1C 2292785016 QHVYIXCKQZKXBX-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC1(OCCN)CC(C)(C)C1 2292788216 USUFKTBOXXEOOQ-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1[C@@H](C)[C@@H]1CC 2293019622 PYDCHYYPRBNOEU-FJIDUMEYSA-N 283.500 4.763 30 10 CJEE C=CCCCCCC[C@](C)(C[C@@H](C)C(F)F)OCCN 2293991022 FZSOOLFGQNINSQ-GDBMZVCRSA-N 291.426 4.538 30 10 CJEE CCCCCCC[C@@H](OCCN)c1csc(C(C)C)n1 2294367595 LVQHITAQUDEJQS-OAHLLOKOSA-N 298.496 4.643 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C1=CCCCC1 2295598924 MHZMYSNJVIGEDH-SFHVURJKSA-N 280.452 4.948 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CCCC(F)F 2295601888 UZGSSBVASGYTSC-INIZCTEOSA-N 292.410 4.883 30 10 CJEE C=C1CC(C[C@@H](N)[C@](C)(O)CCCCCCCCC)C1 2295682836 UVMHBFNLLAZSNG-QZTJIDSGSA-N 281.484 4.562 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cnc(OC)s1 2295683679 FBBNXXKWNYIBII-AWEZNQCLSA-N 298.496 4.771 30 10 CJEE CCCCCCCCC[C@H](C)NCC1(O)CCCCC1 2295691449 MAAZFBBUMTVRNY-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE C=CCN(CCCCCCCCCCCNC)C(C)C 2296290813 HWZPQNVUKPQEGE-UHFFFAOYSA-N 282.516 4.613 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)ccc1Cl 2302838711 GSQXDRCGDJEACJ-SMDDNHRTSA-N 270.203 4.610 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C 2303394544 DBYANOVCUMVTGC-MCIONIFRSA-N 257.849 4.570 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)ccc1C 2304054918 GUPSTYCMGOKRPP-AWEZNQCLSA-N 251.801 4.511 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H]1[C@@H](C)C1(F)F 2308365612 MZKUCWNEVMOTIY-MCIONIFRSA-N 261.400 4.616 30 10 CJEE C=C([C@H](NC)c1c(F)ccc(C)c1Cl)C(C)(C)C 2313998678 KKPSPFSQCPWTQH-AWEZNQCLSA-N 269.791 4.650 30 10 CJEE C#Cc1ccccc1N[C@@H](C)c1cc(C)sc1C 2317694730 BJFILLMDODSMQS-LBPRGKRZSA-N 255.386 4.519 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COCC1(CS)CCCC1 2320148422 GALYPSRCYNGHIN-KBPBESRZSA-N 270.482 4.566 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1CCCCCC1 2321131541 RXOACSFXNPQHEO-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCC 2321147601 IZYJQYXUYMKWPC-DMRKSPOLSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccc(C)cc1)[C@H](C)N 2335100214 FZDGRSSGQOBQMB-WMLDXEAASA-N 275.461 4.637 30 10 CJEE CCCCCCCC[C@@H](C#Cc1cccs1)NCC 2338243005 BCWJRHAKMXMICV-INIZCTEOSA-N 277.477 4.828 30 10 CJEE C#CCCCC[C@@H](NCC)c1ccc(F)c(C)c1Cl 2338543968 CYWHKTGLZCJLIE-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=CCC(CC=C)[C@H]1CCC(C)(C)[C@@H](NCCC)C1 2338659614 IIZUKNSSQIFDST-IRXDYDNUSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H](c1ccccc1)C(C)C 2338697065 UQZGQSQVORSYRF-MSOLQXFVSA-N 258.405 4.556 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C1C[C@@H]2CC[C@H]2C1 2338736985 ZQDKKQBFUGMZCG-BQFCYCMXSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@]1(CC)CC1(F)F 2338746820 KDVIKHXSYFGIBH-CABCVRRESA-N 271.395 4.558 30 10 CJEE CC(C)(C)[C@@H](CS)COC[C@@H]1C[C@H]2CCC[C@H]1CC2 2338917330 DGGLESIXJBEOQY-YHUYYLMFSA-N 284.509 4.812 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)CCC1=CCCCC1 2340313605 ABJRKPYKHDTIAU-QGZVFWFLSA-N 277.528 4.516 30 10 CJEE C=CC1(C[C@H](C[C@H]2CC[C@@H]2C2CC2)NCC)CCC1 2342270311 VLSWWOADQCGPDY-IXDOHACOSA-N 261.453 4.537 30 10 CJEE C=C1CC([C@H](NC)c2ccc(Cl)cc2C(F)(F)F)C1 2342314640 YSWHAKFUISCERC-ZDUSSCGKSA-N 289.728 4.586 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1CC(C2CCC2)C1)NC 2344346972 XOWAMBOHFKSWIY-DQVOVIAYSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(F)cc1C 2360202143 RFPAVFKEPHBAMP-YOEHRIQHSA-N 295.467 4.873 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 2360335212 ZISVFPVOPGEROO-DJIMGWMZSA-N 276.420 4.657 30 10 CJEE N#C[C@@H](CCCN1CCCCC1)c1cccc2ccccc12 2019705 BTRXWGPTVKXTBE-GOSISDBHSA-N 292.426 4.713 30 10 CJEE N#Cc1ccc(N[C@H](CC(F)(F)F)c2ccccc2)cc1 37212204 VQOKPEGFOOZSOR-OAHLLOKOSA-N 290.288 4.664 30 10 CJEE CCc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 39842318 MWMMWYKUKRQKFH-SXGWCWSVSA-N 284.742 4.519 30 10 CJEE N#C[C@@H](C(=O)c1cccc(Cl)c1Cl)c1cccs1 52902750 JWZSMXBUXFFJEM-SECBINFHSA-N 296.178 4.545 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1Cl 88513234 DVTCCXPFLYFGFZ-RISCZKNCSA-N 262.784 4.592 30 10 CJEE SCCCCCCCCCSc1ccccn1 97800100 LINGYZXKBRTVCY-UHFFFAOYSA-N 269.479 4.834 30 10 CJEE CCCCCCCCCCCCn1cc([C@H](C)N)cn1 110267737 KRRRXZVDIGCEIU-INIZCTEOSA-N 279.472 4.824 30 10 CJEE CCCCCCCCCCCCN(CCN)CCCC 111236328 VMSKBOOBPOYMJI-UHFFFAOYSA-N 284.532 4.968 30 10 CJEE CCCCCCC[C@](C)(N)c1ccccc1Cl 112882608 UFNIYJCHMSMETC-HNNXBMFYSA-N 253.817 4.874 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1nc(C)cs1 112978723 JNYKPTWMQDYGFF-JSGCOSHPSA-N 268.470 4.851 30 10 CJEE CCCCCCCCCCCCN(C)CCNC(C)C 113078681 JWQRDLXJRJDXAY-UHFFFAOYSA-N 284.532 4.837 30 10 CJEE CCCCCCCN1CC2(CCCCC2)NC[C@@H]1C(C)C 115244839 ZRRIOJMFDNJISF-GOSISDBHSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2ccccc2s1 122293018 GOLQJUSRDCVTON-CQSZACIVSA-N 276.449 4.766 30 10 CJEE C=CCCC[C@H](NC)c1cc(Cl)ccc1Cl 128745719 GNZQMSLINKDEEK-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE Cc1cc(C)cc([C@H](C)Nc2cc(C#N)ccc2C)c1 132593097 FTONLSNVTCECBN-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CCCCCCCCCCCCN[C@H](CC)CCO 134389106 YSRJIDQVHLDNKR-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE C=CCCCC(=O)c1cccc(OCc2ccccc2)c1 136584793 PTQJQUWXACIVQP-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CCCO1)NCCC 158008431 XEEYFAVPVUHYCY-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC(=O)C1(OCC)CCCCC1 158338969 SDNHASNTHKQYLE-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCN1C[C@H]2CCCCN2C[C@@H]1C(C)C 159022717 ZATOIOOPMPDUSF-RTBURBONSA-N 294.527 4.542 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCCS1 160971721 KPRVKMPOBUFJKO-LSDHHAIUSA-N 257.487 4.611 30 10 CJEE CC[C@@H]1CCC[C@@H](OCc2ccc(C#N)cc2Cl)C1 162991981 MCDOTCNHBDQBNK-IUODEOHRSA-N 277.795 4.697 30 10 CJEE N#Cc1cc(F)cc(CSc2cccc(Cl)c2)c1 163776120 MCEHYGVONMKTGW-UHFFFAOYSA-N 277.751 4.643 30 10 CJEE C=C(C)CCNc1ccc(Oc2ccccc2)cc1 164417461 LWUCVOPAVIQYDH-UHFFFAOYSA-N 253.345 4.857 30 10 CJEE CC1(C)OC(c2ccccc2)=C/C1=C/C(=O)c1ccccc1 205755088 COPPMXBBSUMJEX-LGMDPLHJSA-N 290.362 4.646 30 10 CJEE CCCCCCC[C@@H]1C[C@@H](NC)c2ccc(F)cc2O1 229330380 FYESZBQKUMBQOV-GDBMZVCRSA-N 279.399 4.598 30 10 CJEE CCCCCCCCCCCCN[C@H]1CCN(C)C[C@@H]1C 229606467 QQNFBVLSWVDTMU-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCC[C@@H](CS)CN(CCC(C)C)CCC(C)C 233292549 JDKLELHTQPBBNQ-MRXNPFEDSA-N 273.530 4.727 30 10 CJEE Cc1ccc(N[C@H](C)c2ccc(Cl)s2)c(C#N)c1 235275164 HAGDFZQJGVZOIE-SNVBAGLBSA-N 276.792 4.755 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2Cc3cc(C)ccc3O2)C1 251466050 BBFCAHOQVGUREJ-SUMDDJOVSA-N 283.415 4.799 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 252896269 BFZPAKQONYSULH-QEOTZNIISA-N 270.457 4.548 30 10 CJEE CC(C)[C@H](C#N)Sc1ccc(Cl)c(Cl)c1 259297876 TZGQTXYPEXCHKK-NSHDSACASA-N 260.189 4.634 30 10 CJEE CCCCCCCCCCC[C@H](O)C1=COCC1 311224760 PGADIMDDHQVDMQ-INIZCTEOSA-N 254.414 4.572 30 10 CJEE C=CCCCCN[C@H]1CCCC[C@H]1c1ccccc1 311591245 AVBKOKSRFQIPMP-ROUUACIJSA-N 257.421 4.659 30 10 CJEE CC1CCC(C=O)(C[C@H]2CCCc3ccccc32)CC1 317280711 RBXIORFIMGUTEM-URSIVYNOSA-N 270.416 4.892 30 10 CJEE C=CCSc1ccccc1N[C@H](CC)[C@@H]1C[C@@H]1C 321948611 WKFIOZGOPGYPAP-BFHYXJOUSA-N 261.434 4.811 30 10 CJEE CC(C)CNC[C@H]1CCCCC[C@H]1CC#CC(C)(C)C 379883767 UWRRNAMGOYIOND-ZWKOTPCHSA-N 277.496 4.868 30 10 CJEE CCCCCCCCO[C@@H]1CCNc2ccccc21 384429327 UZFYSCQUSBBFDB-QGZVFWFLSA-N 261.409 4.920 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)c1ccccc1C(F)(F)F 385022446 OPBIIHXOXAVPCP-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(C(C)(C)C)cc1 393798584 KHVKPFUECZSELI-PBHICJAKSA-N 259.437 4.989 30 10 CJEE CC1(CNc2ccc(CC#N)cc2)CCCCCC1 394675578 ZTWJMXSTVKQAHH-UHFFFAOYSA-N 256.393 4.525 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)s1 394907293 KKNPJRNKWIADIY-UHFFFAOYSA-N 274.307 4.840 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(Br)cc1 398099745 HCGOSESJKDGYMB-STQMWFEESA-N 296.252 4.845 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 400123880 MZTCIDFUMSPFTL-VIFPVBQESA-N 286.268 4.774 30 10 CJEE CCCCCCC[C@@H](CC[C@H]1CCOC1)NCCC 400991390 YMZKHEOLDLCWLL-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)Nc1ccc(Cl)cc1 401752336 OEWSDMMLHUFCLG-KCXAZCMYSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1CC=CCC1)NN 402117467 BLFLVLJSIDTGAW-DLBZAZTESA-N 266.473 4.705 30 10 CJEE C=C(C)C[C@H](C)c1nc([C@H](C)c2ccc(C)cc2)no1 571444964 PGNPIEPNRSAEPX-UONOGXRCSA-N 270.376 4.600 30 10 CJEE CCCCCCCC[C@H](NCC)C1CCC(OC)CC1 686360984 QUIKYYMHJHAQNU-ABHNRTSZSA-N 283.500 4.920 30 10 CJEE C=CCC[C@](C)(O)CC1(c2ccccc2)CCCC1 686665148 XSUDZZYWFQEHIF-KRWDZBQOSA-N 258.405 4.606 30 10 CJEE C=CCCC[C@@H](C)NCC1(c2ccccc2)CCCC1 686670931 HNUHMVFGZGIDBB-QGZVFWFLSA-N 271.448 4.833 30 10 CJEE CCc1ccc(CC)c(NC[C@@H](C#N)C2CCCC2)c1 689511813 PKPVFFXUAJFHFW-QGZVFWFLSA-N 270.420 4.553 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@H](N)C1CC1 696035913 UQGIGOFHXXTUGA-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](O)C[C@H](C)[C@@H]1CCCNC1 697447128 DBNVKVXCDRARRX-KSZLIROESA-N 283.500 4.514 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](N)c1ccccc1 697463809 PPXZMURJABGIIE-ZWKOTPCHSA-N 277.452 4.578 30 10 CJEE CCN(Cc1ccc(C)cc1)c1ccc(Cl)cc1C#N 699486399 SNEKIOWQPLFZMO-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3CCCC(C)(C)C3)C[C@@H](C1)C2 700365164 GPKWBYVHEZTKIN-TVXGVJEUSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@@]1(C)OC 703737815 FIKLAKPLGLKVFV-DLBZAZTESA-N 269.473 4.674 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)ccc1[N+](=O)[O-] 703943785 CMLDEVDEKRFQIF-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H](C)C(F)(F)F 705472186 ADDBGZICIPUCRB-NWDGAFQWSA-N 253.352 4.653 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@@H]3CCC[C@@H]32)c1C#N 707845813 MLCCICKWVUEVSR-HEHGZKQESA-N 286.444 4.661 30 10 CJEE CCC(C)(C)CC[C@]1(C=O)CCCc2ccccc21 711318234 DPMTVLOCRMLZEI-SFHVURJKSA-N 258.405 4.676 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCCC1(C)C 715759291 PECLVRNZDPODPM-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCC 715794976 BAHNKCQWFCUADN-NHYWBVRUSA-N 286.246 4.726 30 10 CJEE CCCCCCCCCC[C@@H](CCOC1CC1)NC 716866776 DEBHABLINUFJTC-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCC1(CNC(C)C)C[C@H](C)O[C@@H](C)C1 724288291 GIUJSUWTOOWLOB-IRXDYDNUSA-N 283.500 4.919 30 10 CJEE CC(C)(C)c1cc(OC2CCCCC2)ccc1C#N 725423154 WQOOVKDEAFTRKT-UHFFFAOYSA-N 257.377 4.567 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@H](C)c1cc(C)ccc1C 1127813292 GGOKAHUPJAOQJI-HUUCEWRRSA-N 260.377 4.510 30 10 CJEE C=CCC(C)(C)CNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 1129235647 NQVJUAUKADSZLF-CVEARBPZSA-N 299.458 4.694 30 10 CJEE C=C[C@H](OC(=O)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 1130934223 HFQJKXJVHLGZGH-LPHOPBHVSA-N 294.394 4.644 30 10 CJEE C=CCC[C@H]1CCCN1Cc1nc2cc(C)ccc2s1 1176771722 SBZZMUCZCFZSCK-AWEZNQCLSA-N 286.444 4.535 30 10 CJEE C=CCOc1ccc(CN[C@@H](CCC)C2CCCC2)cc1 1181688245 QYYRUWLFKHMRPO-IBGZPJMESA-N 287.447 4.700 30 10 CJEE C=CCC[C@H](CC)NC[C@@H]1CCCC[C@@H]1CCC 1182368692 GKEMYENVZJQEGZ-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE COC[C@@H](S[C@@H](C#N)C1CCCCC1)c1ccccc1 1190209738 HVFVVNZMTZEVHM-DLBZAZTESA-N 289.444 4.580 30 10 CJEE C=CC[C@H]1N(Cc2c(C)cc(C)nc2C)CCCC1(C)C 1193919855 GCBJFLHXTNWAGD-GOSISDBHSA-N 286.463 4.574 30 10 CJEE CC#CCCN[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 1205136736 HWOCZQJXTUJAQT-BBRMVZONSA-N 296.241 4.633 30 10 CJEE C=C1CCC(C(=O)N(c2cc(C)ccc2C)C(C)C)CC1 1264882117 ZUFGGIQLIXKCDG-UHFFFAOYSA-N 285.431 4.791 30 10 CJEE C=CCC(CC=C)C(=O)N1CC[C@H](C)c2cccc(C)c21 1273867733 QGCRLKBJUQWELF-AWEZNQCLSA-N 283.415 4.604 30 10 CJEE C=CCCC1(CNc2ccnc(C(C)(C)C)n2)CCCC1 1307164358 OXHKIJHDVAEANC-UHFFFAOYSA-N 287.451 4.713 30 10 CJEE C=C(C)CCN(CCc1ccccc1)c1ccc(OC)cc1 1307555038 DLPNEIWKPITUJX-UHFFFAOYSA-N 295.426 4.711 30 10 CJEE C=CCCCNC1(c2c(Cl)cccc2Cl)CC1 1307615871 AGGOSNICGLHIGW-UHFFFAOYSA-N 270.203 4.538 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cc(C)c(C)cc1Cl 1310765702 FICLSENSUTUCTR-CYBMUJFWSA-N 294.826 4.823 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 1360766080 FXOZUFPNICQKDP-JKSUJKDBSA-N 289.419 4.634 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H]1CCC[C@H](C)C1 1462335575 USQHBBAJOXBVON-YTQUADARSA-N 271.448 4.590 30 10 CJEE C=CCCN[C@@H](CC(C)C)c1ccc(Cl)cc1 1473323614 RRSGCBDBDAJROX-HNNXBMFYSA-N 251.801 4.593 30 10 CJEE CC#CCN[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 1473363147 SNLDWDPATKOJGK-GFCCVEGCSA-N 289.831 4.742 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 1477187572 LWQOBBKMJRZNBO-HUUCEWRRSA-N 286.419 4.668 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@]23CCCC[C@H]2C3)c1 1477188690 PBGNRRVQVYRIMT-SIXWZSSISA-N 298.430 4.810 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H](CC)c1ccc(C)cc1 1521193165 UMCZTEUSPXVCFE-KRWDZBQOSA-N 272.388 4.758 30 10 CJEE C=C[C@H]1CCCCN1C(=O)C1CCC(CCCC)CC1 1525021948 XKFBDFUVSCBPHO-JCYILVPMSA-N 277.452 4.550 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2s1 1531923315 OZAXZMJQODOBSO-ZFWWWQNUSA-N 299.439 4.766 30 10 CJEE C=CCC[C@H](C(=O)N(C)C1CCCCCC1)c1ccccc1 1532075404 KBRMKZZQPKKLMW-IBGZPJMESA-N 299.458 4.918 30 10 CJEE C=CC1(CC(=O)O[C@@H](C)c2cccnc2C)CCCCC1 1533408883 NVIQJDFTEYEAER-HNNXBMFYSA-N 287.403 4.521 30 10 CJEE C=CCCCCCCCCNC(=O)[C@H](C)C(C)(C)C 1534822827 PUVFPGFAJBNNJN-HNNXBMFYSA-N 267.457 4.702 30 10 CJEE C#Cc1ccc(NCc2ccc(C(C)(C)C)s2)cc1 1560613173 NFKZFQWZKIXNSU-UHFFFAOYSA-N 269.413 4.639 30 10 CJEE C#C[C@H](CCC)NC(=O)CC1CCC(C(C)(C)CC)CC1 1584714528 QAEUHSWGILHUTK-OFLPRAFFSA-N 291.479 4.537 30 10 CJEE C=C[C@H](CC(=O)Nc1cncc(C(C)C)c1)c1ccccc1 1585686288 RPUZSICVAWPKLL-OAHLLOKOSA-N 294.398 4.503 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 1586657961 QAOJLSBXPITRIZ-DZFIZOCASA-N 299.458 4.664 30 10 CJEE C=CCC1(CNC(=O)C2(CC(C)C)CCCC2)CCCC1 1587304953 UZQHOHOJHLXGCH-UHFFFAOYSA-N 291.479 4.846 30 10 CJEE C=CC[C@@H](Cc1ccccc1)Nc1nc2ccc(F)cc2o1 1612475298 NALFMTYUSCVJIB-HNNXBMFYSA-N 296.345 4.566 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 1621004459 YDDHMGSBMHMJPR-IEBWSBKVSA-N 296.458 4.712 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@H](C)[C@@H](C)C1 1635814405 IBBWMFXMMBDPMA-IRXDYDNUSA-N 294.483 4.591 30 10 CJEE C#CCN(C[C@H]1CCCCC1(C)C)[C@H]1CCc2ccccc21 1641587779 GUISQVOXFPKLRX-QUCCMNQESA-N 295.470 4.826 30 10 CJEE C=C(CC)CN1CCC[C@@H](CCCc2ccccc2)C1 1642324521 YJRPYJPAZRFBOI-LJQANCHMSA-N 271.448 4.688 30 10 CJEE C=CCC1(NCc2cc(-c3ccccc3)no2)CCCCC1 1644163862 CFZOLEGWGLPAPJ-UHFFFAOYSA-N 296.414 4.710 30 10 CJEE C=CC[C@H]1CCCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 1647406090 ZOEPJQHUXSZKLI-ROUUACIJSA-N 291.479 4.547 30 10 CJEE C=C(C)CN[C@@H](c1cccc2ccccc12)C(F)(F)F 1653254713 SJPVCTVAQKHVEW-HNNXBMFYSA-N 279.305 4.609 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cccc(OC(F)F)c1 1653952248 AJFWKPMSIUKEKC-AWEZNQCLSA-N 295.373 4.522 30 10 CJEE C=C1CCC(CNCc2ccc(CCC)s2)CC1 1656925417 MHNSVZQLNRPKKC-UHFFFAOYSA-N 263.450 4.537 30 10 CJEE C=C(C)[C@@H](NC[C@@H](C)CC(C)C)c1ccc(F)c(F)c1 1658329321 VTDCHGPIYDSHKE-SUMWQHHRSA-N 281.390 4.854 30 10 CJEE C=C(C)CCN[C@@H]1CC=C(c2ccc(Cl)cc2)CC1 1659253974 NRYBVWNLVONACK-QGZVFWFLSA-N 275.823 4.832 30 10 CJEE C=CCOc1ccc(CNC[C@@H]2CCCC[C@H]2CC)cc1 1664682759 YXUZPVZBNRRLBW-MSOLQXFVSA-N 287.447 4.557 30 10 CJEE C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)CCCCCCC)C1 1677122934 YWIGBYFHJOFYNF-DLBZAZTESA-N 294.483 4.591 30 10 CJEE CC1CCC(C=O)(C2CC(c3ccccc3)C2)CC1 1875797221 XGACENLUBPWJEV-UHFFFAOYSA-N 256.389 4.576 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2C[C@H]2CC)NCCC)CC1 1876011753 KAINCICRNGCIBH-FGTMMUONSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCCN1Cc1ccccc1C(C)(C)C 1884632241 ZCPFSULYQUSWHO-INIZCTEOSA-N 257.421 4.525 30 10 CJEE CC#CCCCC[C@@H](NCC)c1ccc(C)c(Cl)c1 1885229190 QTFSRTUOEUXDTM-QGZVFWFLSA-N 277.839 4.883 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C=CCC(CC=C)OCc1csc(CN[C@@H](C)CC)c1 2360219706 MJOFAHQPNMJNOZ-AWEZNQCLSA-N 293.476 4.674 30 10 CJEE Cc1cc(C)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(C)c1 5330539 MGXYMYQPBYQTBZ-DHZHZOJOSA-N 293.410 4.574 30 10 CJEE CCC[C@@H]1CCCCN1c1ccc(C#N)c(C(F)(F)F)c1 35929086 UZBAPXYDHPLVRO-CYBMUJFWSA-N 296.336 4.736 30 10 CJEE CCCCCC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 37116908 DPVFREADRWEIJQ-GFCCVEGCSA-N 284.186 4.750 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153984 LPPGCMULUPQTTF-UHIISALHSA-N 288.441 4.717 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1Cl 54824548 DEEODYHLJGGMJW-JQWIXIFHSA-N 283.202 4.878 30 10 CJEE Cc1ccc(OCCC[C@H](C#N)c2ccc(F)cc2)cc1C 57685621 XRCVWAKIIVHFKG-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE CCc1cccc(OCCC[C@H](C#N)c2cccc(F)c2)c1 57688498 JYCZYFUPJVTNEP-QGZVFWFLSA-N 297.373 4.854 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N 59083234 IXNKHRWXLHHFJM-OWCLPIDISA-N 269.473 4.516 30 10 CJEE CCCCCCCN[C@H](C)c1ccc(F)cc1F 59423079 UIPOYVZIHCYWFX-GFCCVEGCSA-N 255.352 4.586 30 10 CJEE N#CC1(c2ccc(Cl)cc2)CC(c2ccccc2)C1 86559197 VBEDESHOPJKNQN-UHFFFAOYSA-N 267.759 4.679 30 10 CJEE CC1CCC(C#N)(Sc2ccc(Cl)cc2)CC1 90244343 WOUIPBMVMRLXTL-UHFFFAOYSA-N 265.809 4.905 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCC[C@@H](CC)C2)CC1 91885939 LFDSVVWFRKKHMN-CPFNUKBASA-N 277.452 4.818 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@@H](CS)C(C)(C)C 94579682 HEWIIJOCYPBPPJ-STQMWFEESA-N 299.911 4.925 30 10 CJEE CCCCCCCCCn1c(COC)nc2ccccc21 102184563 RGFPZZMJUYTTES-UHFFFAOYSA-N 288.435 4.933 30 10 CJEE CSc1ccc(N/C=C\C(=O)c2ccc(C)c(C)c2)cc1 103030847 OWGDZNLVZMOMER-KHPPLWFESA-N 297.423 4.834 30 10 CJEE CCCCCCCCCCNCCN(C(C)C)C(C)C 105838131 NZTJUIKMSOLEHO-UHFFFAOYSA-N 284.532 4.836 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(OC)c(Cl)c1 107535809 SUNUJCUYNWWQNQ-NEPJUHHUSA-N 250.769 4.502 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(OCC)cc1CC 107660186 MYYULTSCRRCFAP-LSDHHAIUSA-N 258.405 4.801 30 10 CJEE CCC#CC[C@@H](C)c1ccc(OCCC)cc1CC 107661390 ACCNLDYHBMNTGJ-OAHLLOKOSA-N 258.405 4.945 30 10 CJEE CCCCCCCCOCCCNC1CCCCC1 110239493 PNAIYUQKHILBPK-UHFFFAOYSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCCCCn1cc([C@H](C)O)cn1 110267931 UYRFEIHALFFXIY-INIZCTEOSA-N 280.456 4.857 30 10 CJEE CCCCCCC[C@H](O)Cc1ccccc1Br 111817636 OAWRMNMMZUXLEU-AWEZNQCLSA-N 299.252 4.713 30 10 CJEE CCCCCCCCCCN1CCNCC1(CC)CC 114056364 GVIOABFGOXSFJW-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE CCCCCCC[C@H](CSc1ccccc1)NC 114870205 LSHNNPDMWVZKCQ-OAHLLOKOSA-N 265.466 4.727 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCCOC1 114876266 IKEFFXHHVHMVOB-KRWDZBQOSA-N 270.457 4.839 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)N1CCCCC1 118146276 OUNCDVSCDWNNTI-GOSISDBHSA-N 296.543 4.980 30 10 CJEE N#Cc1cc(Cl)nc(Nc2cc(Cl)cc(Cl)c2)c1 122614597 FVLYPQYBMDMOQI-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(F)c(Cl)c1 126215456 RTJZJLASDBRBBT-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE CC(C)[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 126300624 WOAHDIUVZRSANO-KRWDZBQOSA-N 268.335 4.507 30 10 CJEE Cc1cc(Nc2ccc3ccccc3c2)ccc1C#N 126887022 HZFPCTQSAYTBOK-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CCCCCCCCCC(=O)c1cccc2c1OCC2 128602945 DTCMZIZHDALMOD-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE COc1ccc(C#N)c(Oc2c(C)cc(Cl)cc2C)c1 130501049 GDGJBNOJZUWBAM-UHFFFAOYSA-N 287.746 4.629 30 10 CJEE CCc1c(-c2ccccc2C(C)(C)C)sc(C#N)c1N 132943124 FIYUEBWMDHYNGL-UHFFFAOYSA-N 284.428 4.729 30 10 CJEE CCCCCCCCCC[C@H](CCOCC)NC 143435073 MMUDYXHDFQXXPE-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCNC(=O)N1CCCCCC1 160690984 YTDVLJFXJOMYCB-UHFFFAOYSA-N 282.472 4.713 30 10 CJEE Cc1cc2ccccc2n1Cc1ccc(C#N)cc1Cl 163792699 MIXPRPXPUVRXQC-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE C=C(C)CCOc1c([C@H](C)NCC)ccc2ccccc12 164368099 HFVUQLBHXHGAJT-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)cc2F)C1 164658423 ZCHVOUMYXAXIGS-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCCCCCCOc1c(C)cccc1C[C@@H](N)CC 165808125 BVDKQWYIQIKRPB-KRWDZBQOSA-N 277.452 4.624 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](OCC)C1CCCCC1 167602050 KSSKILRNBDOJSO-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]3CCCC[C@H]32)C1 218005478 LAMIDBSEJLYUNV-RHQZKXFESA-N 288.479 4.750 30 10 CJEE CCCc1ccc(Nc2c(C)cccc2C#N)cc1 221005787 NNDFOMCULJQYHG-UHFFFAOYSA-N 250.345 4.563 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCCC2)C1 222171918 HYORBXOZQGZGAX-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE CCCCCCCCCn1cnc2c(C)csc2c1=O 222224203 LWOLNFOGVDAICY-UHFFFAOYSA-N 292.448 4.517 30 10 CJEE CCCCCCC[C@H](Cc1ccc(CC)cn1)NCC 228720518 JVJHGEHDHAULDG-QGZVFWFLSA-N 276.468 4.525 30 10 CJEE CCCCCCC[C@H](N)Cc1nc(C(C)(C)C)cs1 228751872 UDXKOJXMQUIDQC-ZDUSSCGKSA-N 282.497 4.671 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(Cl)ccc1C 229735381 DAKNHPJJNCBNLI-HNNXBMFYSA-N 251.801 4.655 30 10 CJEE C=C(CC)C[C@@H](NC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 229753582 IAGMJAXCVJKKFG-HYLCPLCXSA-N 261.453 4.537 30 10 CJEE C=CCSCCN[C@H](CCC)c1ccc(Cl)cc1 231930951 CMXANBMWPNXYJN-OAHLLOKOSA-N 283.868 4.690 30 10 CJEE CCCCCCCCCCNc1c(C)nn(C)c1C 232918376 PYGFHRSFTYDBBQ-UHFFFAOYSA-N 265.445 4.590 30 10 CJEE CCCCCCCCC(=O)Nc1ccc(C#N)cc1Cl 232919358 KGUDZCQTQWJAPK-UHFFFAOYSA-N 292.810 4.901 30 10 CJEE CCCCCCCCN[C@@H]1CCCC[C@@H]1SC 232935536 URZLLTZKODYQFY-CABCVRRESA-N 257.487 4.611 30 10 CJEE CCCCCCCC[C@@H]1CC[C@H](C(F)(F)F)CN1 232938437 SGGVLMXNVMZNCT-QWHCGFSZSA-N 265.363 4.668 30 10 CJEE C=CCCCCCOc1ccc([C@@H](C)NCCC)cc1 233154121 JQJUGBDYOKCWRM-MRXNPFEDSA-N 275.436 4.872 30 10 CJEE C=CCCCCC[C@H](CCc1cccnc1)NCCC 233163465 VZYCPTRSXSTXQN-GOSISDBHSA-N 274.452 4.519 30 10 CJEE C[C@@H](C#N)c1csc2cc(C(F)(F)F)ccc12 260018089 MCASGCPPZRJDDI-ZETCQYMHSA-N 255.264 4.547 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCC[C@H](C(C)C)C2)C1 300322907 LNBGLXXIAGKLJS-OWSLCNJRSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCC(F)(F)C1 302389581 PHCAQIJMHMEYDI-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE CCC(=CC(=O)c1cscc1C(F)(F)F)CC 304480061 OGOLINZOKBACIF-UHFFFAOYSA-N 262.296 4.696 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1C=CCCCCC1 310655529 PKUZNHUMRIEAMT-AWEZNQCLSA-N 260.768 4.512 30 10 CJEE CCCCCCC[C@@H](C)NCc1sc(C)nc1C 310927946 HDAZNGNQPCIBHJ-GFCCVEGCSA-N 268.470 4.599 30 10 CJEE N#Cc1ccnc(N[C@H]2CCCC23CCCCC3)c1Cl 312999109 DNMBKZWTFCVMOT-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE CCCCCCC[C@@H](N)c1c(Cl)cccc1OC 314862584 DXFONHYYXJFMRQ-CYBMUJFWSA-N 269.816 4.709 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 316703486 CLQSRQGVVTZZNC-IUODEOHRSA-N 284.321 4.643 30 10 CJEE CCc1ccc(CC2(C=O)CCC(C)(C)CC2)s1 317220754 LBADHKZFKNKAJM-UHFFFAOYSA-N 264.434 4.639 30 10 CJEE CCCCCCCCNC[C@H]1CCCCC1(F)F 381987517 XCHNJSDKHCTHIF-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1csc2ccccc12 383501776 CGDYXAUWUFAULT-INIZCTEOSA-N 285.456 4.992 30 10 CJEE C=CCN(c1cccc(Cl)c1[C@H](C)NCCC)C(C)C 383699854 NEOOYWOXQWFCNC-AWEZNQCLSA-N 294.870 4.801 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H](C)C1(C)CC1 385518905 TZIYVONINQVBAX-DLBZAZTESA-N 282.516 4.575 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H](C)CCCC 388423575 PLDZKKQQTVRKNB-IRXDYDNUSA-N 270.505 4.575 30 10 CJEE C=C(C(F)(F)F)[C@]1(O)CCCC[C@@H]1C1CCCCC1 388541226 RJAGHWUTZXDZNG-ZIAGYGMSSA-N 276.342 4.607 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1 393793478 GSIZLHKMWJYJCL-PWSUYJOCSA-N 272.219 4.999 30 10 CJEE CCC(C)(C)C1CCC(O)([C@@]2(C#N)CCC[C@@H]2C)CC1 395076609 RCUYSYJNLOSARL-JYDDWQFKSA-N 277.452 4.674 30 10 CJEE CCCCCCCCOc1csc([C@@H](C)NCCC)n1 396736093 WAQOGZVBGPUSQN-CQSZACIVSA-N 298.496 4.943 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@]1(C)C[C@@H]1F 399292214 HXZPJVRAZXYAEO-HRCADAONSA-N 257.437 4.853 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCC[C@H](C)C1 410393834 RPXXVXXRDQZUAL-GOEBONIOSA-N 271.404 4.570 30 10 CJEE N#Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1 514260973 HGDXBSGLGWAUOC-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE N#CCc1ccc(F)c(-c2c(Cl)cccc2Cl)c1 514262627 PXFXBPLVJFYWQT-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCC[C@@H](C[C@H](CC)CC(F)F)NN 688882104 SYKJVDMHXLFNEK-KBPBESRZSA-N 278.431 4.640 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=Nc2cccc(C3CC3)c2)N1 690148144 ZNXRDCWYIIOPME-OAHLLOKOSA-N 288.460 4.693 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1CCC1(C)C 694222587 HQZSTMZWINKYDR-CQSZACIVSA-N 271.514 4.623 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CNC[C@H]1C 695307062 MQBIBBJFJZNDNI-SQNIBIBYSA-N 283.500 4.514 30 10 CJEE CCCCCCC[C@@H](O)c1csc(C(C)C)n1 695315242 MRIRJRGGPNSZOL-CYBMUJFWSA-N 255.427 4.660 30 10 CJEE CC[C@H](C)c1ccccc1O[C@H](C)CC(C)(C)C#N 695864952 PSWZQGPBTUEWIE-UONOGXRCSA-N 259.393 4.907 30 10 CJEE CCCCCCCCCCCCN[C@@H]1COC[C@@H]1C 699804208 HFULLQPFFADBCO-DLBZAZTESA-N 269.473 4.532 30 10 CJEE Cc1ccc(SCc2ccc(C)c(C#N)c2)c(C)c1 701874448 IUROGHRBCHAJLG-UHFFFAOYSA-N 267.397 4.776 30 10 CJEE CCC(CC)[C@@H]1CN/C(=N/CC2C[C@H](C)C[C@@H](C)C2)S1 710031498 CPQSHXZVWCUGGT-IOASZLSFSA-N 296.524 4.556 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1CCC(C(C)C)CC1 710593162 ONTLPDLZNLFYTH-GPANFISMSA-N 271.876 4.960 30 10 CJEE CCCC[C@@H](CC)C/N=C1/NC2(CCCCCC2)CS1 713236521 ZHGRLUYUBLYTAM-OAHLLOKOSA-N 296.524 4.988 30 10 CJEE CC(C)C1CC(/N=C2/NC3(CCCCCCC3)CS2)C1 714591603 JAYHDXQAFUYTRP-UHFFFAOYSA-N 294.508 4.597 30 10 CJEE C=CC[C@H](C)Oc1cccc(CNC(C)(C)C)c1Cl 715002345 SERKXTJIDXWBDL-LBPRGKRZSA-N 281.827 4.572 30 10 CJEE CCCCCCCCCC[C@]1(O)CCC[C@H](N(C)C)C1 715209792 ZWKUCPVLVFVMNA-ROUUACIJSA-N 283.500 4.753 30 10 CJEE C=CC[C@@H](C)C[C@H](CNC(C)(C)C)c1ccccc1 715794965 LURRKLNBVDXQGX-NVXWUHKLSA-N 259.437 4.761 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1C[C@@H](C)CO1 718417056 XTGBKGTVCDTKNM-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](O)c1cc(N)cc(F)c1 718604979 ZPWNVYWTOWEDCB-QGZVFWFLSA-N 281.415 4.972 30 10 CJEE CCCCCCCCC[C@H](O)c1cccn2nccc12 723577226 FDQQGZBGZOGMPU-KRWDZBQOSA-N 274.408 4.508 30 10 CJEE CCCCCCC[C@H](NCC)C1C[C@@H](C)O[C@H](C)C1 724271148 VRJCRGNQYSVCKQ-INMHGKMJSA-N 269.473 4.529 30 10 CJEE N#CCc1ccc2sc(F)c(SC(F)(F)F)c2c1 725305143 PHXZGBJDMUJKSY-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C\CCC 789887330 ALAITUCBKFSZOB-JYRVWZFOSA-N 271.404 4.833 30 10 CJEE C=CCN(C(=O)C[C@@H](C)CC(C)(C)C)c1ccccc1 1124757621 TWDBGCFQHZEHIB-OAHLLOKOSA-N 273.420 4.668 30 10 CJEE C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc2ccccc2c1 1127430288 UCXOMAYTWWZWKN-JKSUJKDBSA-N 295.426 4.804 30 10 CJEE C#CCCCCCCN1c2ccccc2S[C@H](C)[C@H]1C 1167810350 CKTCUULYYHIOJF-HZPDHXFCSA-N 287.472 4.959 30 10 CJEE C=CCC1(NC[C@H]2[C@H](c3ccccc3)C2(F)F)CCCC1 1196149397 AXZVHEKXGUOXNT-HOTGVXAUSA-N 291.385 4.514 30 10 CJEE C#Cc1cccc(NC2CCC(CC)(CC)CC2)c1 1201675675 JTSHQUPWBNQODY-UHFFFAOYSA-N 255.405 4.829 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CC)c1ccc(C)c(F)c1 1205017697 ZLUXWJZIINHWRZ-RDJZCZTQSA-N 263.400 4.920 30 10 CJEE C=CCN(C(=O)Nc1ccc(CCCCC)cc1)C1CC1 1214332848 NQWJENGXBDELAJ-UHFFFAOYSA-N 286.419 4.602 30 10 CJEE C=CCCCCCCCCNC(=O)C1CCCCCC1 1274720420 DCRLPIJWFVHOJQ-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C#CCC1(NC[C@@H]2CCCC[C@@H]2CC)CCCCC1 1308950797 UFWLQAXPRZBYHD-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(C)c1cc(Cl)cc(Cl)c1 1360337625 KTSQIIAMGATNRT-AWEZNQCLSA-N 286.202 4.559 30 10 CJEE C=CCCCC(=O)N[C@@H](c1ccc(CCC)cc1)C(C)C 1434998410 NPFIWARSYLEGLR-LJQANCHMSA-N 287.447 4.809 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1cc2ccccc2cc1F 1439843052 BBLFBIUYPDSCPV-INIZCTEOSA-N 297.373 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 1439929168 DKGZOUHRKWGMSU-RBUKOAKNSA-N 291.394 4.770 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](C)CCCCCCCC)cc1 1439961558 UZSWPTRHIDLJAW-INIZCTEOSA-N 285.431 4.993 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1CC)c1ccccc1 1460249980 PMZVATUMIPLUES-WDSOQIARSA-N 299.458 4.679 30 10 CJEE C=CCCCCC[C@@H](C)Nc1ncccc1SC 1462408368 FYYCYIPAKHIICE-CYBMUJFWSA-N 264.438 4.740 30 10 CJEE C=CCCC1(CNC2CCC3(CC2)CC3)CCCC1 1474208642 MDACIEINPNDSFR-UHFFFAOYSA-N 261.453 4.825 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(OCC)cc1C 1474334399 NXDKODPBOJPPHW-UHFFFAOYSA-N 295.426 4.582 30 10 CJEE C=CC(C)(C)CCCNC(=O)N1[C@H]2CC[C@H]1c1ccccc12 1479218353 BZPUMNZGIUPCHQ-IRXDYDNUSA-N 298.430 4.580 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)[C@H](C)C(C)C)c1ccccc1 1526028891 ALEXPUIKUVRYBC-SJLPKXTDSA-N 287.447 4.629 30 10 CJEE C=CCCC1(CNC(=O)c2cscc2Cl)CCCC1 1531944185 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C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(OC)c1Cl 1643803425 SITGECYDSFYINI-HIFRSBDPSA-N 293.838 4.573 30 10 CJEE C/C(=C/c1ccccc1)CN(C)CCCCC1(C#N)CCC1 1645271930 GIVNECUYQYNOSJ-SDXDJHTJSA-N 296.458 4.886 30 10 CJEE C=CCC1(NCc2cc(Cl)ccc2OCC)CCCC1 1651328128 JOUAVMKKWTWXBO-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C#Cc1ccc(N[C@H]2CCCc3ccccc3C2)c(Cl)c1 1653184180 GDDLERAJWMFOIC-KRWDZBQOSA-N 295.813 4.681 30 10 CJEE CCCCCCCCCCN1CCSC[C@@H](C)C1 1654365331 WJQZQGQOTPTEAI-INIZCTEOSA-N 271.514 4.812 30 10 CJEE C=CCC[C@@H](C)Nc1ccccc1C(F)(F)CC 1658760741 GEEFMVPNXBBTDV-GFCCVEGCSA-N 253.336 4.955 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCCSC(C)(C)C 1659401838 VOAMSQJWXYVSDJ-HUUCEWRRSA-N 269.498 4.633 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2c2ccccc2)C1 1659832979 XXJJXQBLMRMASA-NXWXRZEISA-N 269.432 4.657 30 10 CJEE C#C[C@H](N[C@H](C)CC1CCCC1)c1ccc(Cl)cc1 1659928277 ADEQQPBDRRSQSJ-DYVFJYSZSA-N 275.823 4.573 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1CCCC2(CCC2)O1 1665796131 XKLZCJHUZWDDKC-SJORKVTESA-N 279.468 4.593 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C#C[C@@]1(N2CCCCCC2)CCCCCCCC1(F)F 2285979918 FRFYMTVGKJYRPJ-MRXNPFEDSA-N 283.406 4.614 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](C)Oc1ccccc1 2287413631 KKNWJIKJAUIJHH-WMZOPIPTSA-N 275.436 4.569 30 10 CJEE C=C(C)CCCCOc1ccc(CNC(C)C)cc1C 2287415249 UGJLKJYXSIMGKR-UHFFFAOYSA-N 275.436 4.618 30 10 CJEE CC(C)CCC[C@@H](C)CCNc1nccc(C#N)c1Cl 2287930859 USLKECKZJZWIBE-CYBMUJFWSA-N 293.842 4.871 30 10 CJEE CCCCCCCCC[C@@H](NCC)C12COCC(C1)C2 2288770122 MVGDBCXDWSHQML-LXPRWKDFSA-N 281.484 4.532 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C[C@H]1CCCCC12CC2 2289684959 QQRSPXMPJKDNDV-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE CC(C)(C)C1CCC([C@@H](O)C#CC2CCCCC2)CC1 2289712783 MRYZXBPTLJLUQD-ABHNRTSZSA-N 276.464 4.784 30 10 CJEE CCCNC[C@@H]1CC[C@@H](C)C[C@H]1CC#CC1CCCC1 2289874699 MQUTWFFXIWZXLE-QRQLOZEOSA-N 275.480 4.622 30 10 CJEE CC(C)(C)CC1CC(CNc2ccc(F)c(C#N)c2)C1 2289941303 IJZVSZPJSVFYHR-UHFFFAOYSA-N 274.383 4.572 30 10 CJEE C=C(CN[C@@H]1CC(C)(C)CCC1(C)C)c1ccccc1 2290331585 QKJRPVYZLPLKIW-QGZVFWFLSA-N 271.448 4.894 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@H]1C[C@@H]1CC 2290574782 AYBWEORRRXQEOU-JYJNAYRXSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@]1(C)CC=CCC1 2290900740 RRROOJJQBMWNIC-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(CC)CC1(OCCC(=O)O)CCC(CCC)CC1 2291141855 MNRPRXBGESHJRE-UHFFFAOYSA-N 282.424 4.563 30 10 CJEE C=C(CC)C[C@@](C)(CCCCCCCC)OCC(=O)O 2292132516 MTQQQHGAUYZGFP-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)[C@@H]1CCCS1 2292648305 WLSQHDWUIDKMQX-SJORKVTESA-N 299.524 4.533 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1scc(C)c1C 2292722579 ZMZHKNLHPNRWPM-AWEZNQCLSA-N 296.432 4.644 30 10 CJEE C=CCCCCC[C@@H](OCCN)[C@H]1CCCC(C)(C)C1 2292906640 QQIYJGOTQOPBRI-DLBZAZTESA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCCCC[C@@H]1CC 2293110806 GKXOLNBYGVAUQO-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1CCC(F)(F)C1 2293197260 TXVPRWQGWQSQQK-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@](CC)(OCCN)[C@H]1CC1(C)C 2293406040 WCKMHQSEHQEGAK-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C=CC[C@@H](C)[C@@](CC)(OCCCN)c1cccc(Cl)c1 2293517445 WWYYWOUFYJFGSN-RHSMWYFYSA-N 295.854 4.523 30 10 CJEE C#CCCCCC(=O)[C@@](C)(O)CCCCCCCCC 2295601158 LFCBUUSINMYPGC-SFHVURJKSA-N 280.452 4.641 30 10 CJEE C=Nc1sc(-c2ccc(F)cc2)nc1-c1ccccc1 2297748617 RTGMJRHDLFNEMI-UHFFFAOYSA-N 282.343 4.948 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)ccc1[C@H](C)NC 2298942502 LTZNEGRVFLRQTD-QWRGUYRKSA-N 269.841 4.677 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(Cl)sc1C 2301037849 UHYYZKRTTCMITC-CQSZACIVSA-N 269.841 4.739 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H](C)CC(F)(F)F 2304085992 LCOUTLFOAPFNSL-JQWIXIFHSA-N 250.304 4.527 30 10 CJEE C=C(C)[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2307610217 TVFCXUGBUUZCAB-AWEZNQCLSA-N 272.219 4.919 30 10 CJEE C=C(C)CC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2307613832 QFVFZIHLSZHVMD-CYBMUJFWSA-N 272.219 4.919 30 10 CJEE C=C(Cl)CON[C@H](C)c1sc2ccccc2c1C 2313806928 KZZPOQZAWBOYTA-LLVKDONJSA-N 281.808 4.544 30 10 CJEE CCCCCCCCCCC[C@@H](N)C#CCSC 2314627002 LCYGPYRPMHGJLF-MRXNPFEDSA-N 269.498 4.601 30 10 CJEE CCCC[C@](C)(C=O)C[C@H]1C[C@H]2CCC[C@H]1CC2 2316953713 UQKHUXZFAJWGAZ-NXOAAHMSSA-N 250.426 4.988 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc2sccc12 2319261787 QUUHBKHDTDUQHT-ZBFHGGJFSA-N 257.402 4.518 30 10 CJEE O=C(C=Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 2325791818 SYKOIJRBRVZDBQ-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE C=CC1(C[C@@H](N)CCc2cc(Cl)cc(Cl)c2)CCC1 2341120663 CKFZWDBGCLWRFD-HNNXBMFYSA-N 298.257 5.000 30 10 CJEE CCCCCCCC[C@@H](O)CC1(C(C)(C)OC)CC1 2343722218 CRXVCYYBVQLTBF-OAHLLOKOSA-N 270.457 4.693 30 10 CJEE C=CC[C@H](C)[C@H](C/C=C/c1ccccc1)NCCC 2344379835 JPMGNPBOWJQNMU-NONGLAFWSA-N 257.421 4.670 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1ccc(F)c(C)c1Cl 2344460340 QGMPSTRNTBXVSH-ZBFHGGJFSA-N 284.802 4.683 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc2ccc(Cl)cc2n1 2344475031 FHATWHASILPHHD-HNNXBMFYSA-N 275.779 4.524 30 10 CJEE CCC1(CC)CCN(C[C@@](C)(CS)C(C)(C)C)CC1 2352068247 KMGHLDBAWUBBOL-INIZCTEOSA-N 285.541 4.871 30 10 CJEE C=CCCCCCCCS[C@@]1(C(=O)O)CCC1(C)C 2352150797 VNKMKNJSHCMNKL-MRXNPFEDSA-N 284.465 4.890 30 10 CJEE CSc1cc(Oc2cc(F)ccc2Cl)ccc1C#N 2353823716 FDWLYFRTYDDVKZ-UHFFFAOYSA-N 293.750 4.865 30 10 CJEE C=C1C[C@@H]1C[C@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882089 FXKDHUVNPSBWGE-PJVZLEMVSA-N 275.480 4.927 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1[C@@H]2CCCO[C@@H]21 2355555126 WATDPGPZUYXHSC-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1C[C@@H]2CC[C@H]1O2 2360175416 IXGQTGMWXYTPTP-FJIDUMEYSA-N 282.468 4.836 30 10 CJEE N#Cc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 14549587 UKEDGDGINXCQRS-BQFCYCMXSA-N 290.341 4.524 30 10 CJEE C=CCOc1ccc(CNc2ccccc2SC)cc1 36957143 ZPUVRMXOMMIKBF-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1 37154055 RJTCVDIZKPCGRV-SMDDNHRTSA-N 265.809 4.905 30 10 CJEE Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 39842340 MRILAKQZQKMVIG-PDGQHHTCSA-N 292.378 4.909 30 10 CJEE CC(C)c1ccc(C[C@@H](C#N)c2ccc(N(C)C)cc2)cc1 57744131 QTKZTOUWXVOSAA-IBGZPJMESA-N 292.426 4.726 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(OC)cc1F 59332683 XBCCRCJJOOOTFL-QGZVFWFLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCNc1cc(-c2nnco2)ccc1C 59445995 XVHZPAZQMOSNJE-UHFFFAOYSA-N 287.407 4.817 30 10 CJEE CCCC/C(=N\Nc1ccccc1)c1ccccc1 59513731 HUBHUQZOXDBDQO-HTXNQAPBSA-N 252.361 4.693 30 10 CJEE C[C@@H](c1ccccc1F)N(C)c1cccc(Cl)c1C#N 62016695 HTYBEEJMPKRHCN-NSHDSACASA-N 288.753 4.548 30 10 CJEE C[C@H]1CCC[C@H](CCNc2cc(Cl)ccc2C#N)C1 70539642 CQYPFGKIAFFZAU-QWHCGFSZSA-N 276.811 4.840 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 71109294 OZIVTWIVQAOONI-RISCZKNCSA-N 262.784 4.592 30 10 CJEE Cc1cc(C)c(OC(C)C)c(C(=O)/C=C/c2ccccc2)c1 83193845 DZBAUDFXENNQMQ-ZHACJKMWSA-N 294.394 4.987 30 10 CJEE CC[C@H]1CCC[C@H](Nc2cc(C#N)ccc2C)CC1 86907936 KKPQNRVQXOHDGB-HOCLYGCPSA-N 256.393 4.638 30 10 CJEE CC(C)(C)[C@H]1CCC[C@H](Nc2ccccc2C#N)CC1 86954382 DDWONPAYFXYEBP-HOTGVXAUSA-N 270.420 4.965 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccc(C)c(C)c2)CC1 91883021 ICVJMRLXTNLVSO-AVAKVYKDSA-N 285.431 4.837 30 10 CJEE SC[C@@H](CSc1cc2ccccc2[nH]1)c1ccccc1 94631071 VHBJNOHHUUHOGZ-HNNXBMFYSA-N 299.464 4.974 30 10 CJEE CCC(CC)Oc1c(/C(C)=N/O)ccc2ccccc12 94675890 UNPVTITXAOPIKV-LDADJPATSA-N 271.360 4.605 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](C)c1cc(Cl)ccc1Cl 107564492 LRSJWNWHPFGHEV-JCOFBHIZSA-N 259.176 4.664 30 10 CJEE C=CCOc1ccc(CN[C@H](CC)C2CCCCC2)cc1 109952601 ZMURGOIQISYSHH-LJQANCHMSA-N 287.447 4.700 30 10 CJEE CCCCCCCCOC[C@@H](NCC)c1ccccc1 110083965 XGKMFXQJVSRLMZ-GOSISDBHSA-N 277.452 4.714 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)cc(OC)cc1F 110220005 WHQNYGMWLDJPIG-HNNXBMFYSA-N 285.378 4.594 30 10 CJEE CC(C)N(Cc1cccs1)c1cccc(Cl)c1C#N 110255391 BGOIIYSMGXYHSE-UHFFFAOYSA-N 290.819 4.688 30 10 CJEE C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(Cl)s1 111143120 WAWPCASKFZQPIM-ZETCQYMHSA-N 298.745 4.724 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OC)c(OC)c1 112888776 WILBWDSRUQTTPG-MRXNPFEDSA-N 293.451 4.844 30 10 CJEE CCCCCCCCN(CCCCCCCC)C(=N)N 117138388 PQFKHBBFHRQUCQ-UHFFFAOYSA-N 283.504 4.903 30 10 CJEE CCCCCCCCOc1cc(C)ncc1CNCCC 122852059 GNNYKWBXMPHJNE-UHFFFAOYSA-N 292.467 4.629 30 10 CJEE CCCCCCCCCCN1CC[C@@H](CNC(C)(C)C)C1 129394732 GLYZXMYMHJDHHQ-SFHVURJKSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](O)Cc1c(C)cccc1C 134196131 KSAPYUGYASMGGQ-KRWDZBQOSA-N 262.437 4.957 30 10 CJEE CCCCCCCCCC(=O)c1cccc2nccnc12 135412095 GZQRNPQZELSUGV-UHFFFAOYSA-N 284.403 4.953 30 10 CJEE C=CCSc1ccccc1NCc1cccc2c1NCC2 159378776 IXIPOGCMLIOMQD-UHFFFAOYSA-N 296.439 4.545 30 10 CJEE CCSc1ccccc1NCC(C)(C)CCC#N 162966039 NMWCLIKCOBZDLJ-UHFFFAOYSA-N 262.422 4.540 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCc2cccnc21 168271230 ZNWUWAWWVLXAFC-MRXNPFEDSA-N 273.420 4.821 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1[C@H]2CCCC[C@H]12 189883617 XUVRJOCMQKXQIS-IRXDYDNUSA-N 297.442 4.913 30 10 CJEE CC#CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC(C)(C)C 212204924 CYNVWLQZAWKNHK-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE CCCCN(CC)[C@H](C#N)c1ccc(Cl)cc1Cl 213005766 ULWZYJHGJSMKCO-CQSZACIVSA-N 285.218 4.680 30 10 CJEE CC(C)(Cl)C[C@@H](C#N)C12CC3CC(CC(C3)C1)C2 217001912 CALXFPLVVVRPTA-IXUJDMMCSA-N 265.828 4.750 30 10 CJEE C=CCC[C@H](C)Nc1ccc(OC2CCCC2)cc1 228820599 XUNMSBDZKPSRPK-AWEZNQCLSA-N 259.393 4.775 30 10 CJEE CC1(C)CC(=O)C=C(c2cccc(C3CCC3)c2)C1 229634598 RUOZKEKYIPQIFL-UHFFFAOYSA-N 254.373 4.727 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cncnc1 229839125 HXIXGZMTLJHZCA-QGZVFWFLSA-N 278.440 4.821 30 10 CJEE Cc1ccc(N[C@@H](c2cccs2)C(C)C)c(C#N)c1 232698934 WAVFRCMBWCBBIN-MRXNPFEDSA-N 270.401 4.737 30 10 CJEE CCCCCCCCCCCC[C@H]1COCC[C@H]1NC 232917633 RAHVSUQEXBDCCC-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@@H](SC)C1 232948412 MIRGXRYICGMKEF-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1F)c1csc(Cl)c1 235240948 SNDVJGMDPWZVRF-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE Cc1ccc([C@@H](C)Nc2cccc(C)c2C#N)cc1C 235251228 SGUKNVZSUPENCJ-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H](C)c1csc(Cl)c1 235516847 ZPFPLAMFVDBEHC-JTQLQIEISA-N 276.792 4.755 30 10 CJEE N#C[C@]1([C@@H]2C=CC=CC2)CC2=CCC=C(C(F)(F)F)[C@H]2C1 250639987 GYLNXEKYYJIBNH-YCPHGPKFSA-N 291.316 4.857 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)C)CC[C@H]1NC 250811464 HQFIYTOSORDUMY-KZNAEPCWSA-N 283.500 4.776 30 10 CJEE CCCCCCC[C@]1(O)C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 250834051 SUNZHWVTFUHKIN-MTSZKFMLSA-N 250.426 4.534 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@H]1CNCCC 250909018 YTVREXFRNMTOTI-YESZJQIVSA-N 251.458 4.785 30 10 CJEE C(=Nc1cccc2oc(-c3ccccc3)nc12)c1ccco1 254908179 PHUFCXFOZJKDJS-UHFFFAOYSA-N 288.306 4.838 30 10 CJEE CCn1cc([C@@H](C)CC#N)c2ccc(C(F)(F)F)cc21 260090141 QVESWNXMQUJWHM-JTQLQIEISA-N 280.293 4.697 30 10 CJEE CC(C)(C)c1nc2ccc(C3(CC#N)CC3)cc2s1 260432177 ISWRWHWZFZMYDT-UHFFFAOYSA-N 270.401 4.539 30 10 CJEE C=CCCCCCCn1c(S)nc2cc(Cl)cnc21 312043958 XWKSBUCWKVGWQW-UHFFFAOYSA-N 295.839 4.510 30 10 CJEE O=CC1(C[C@H]2CCCC(F)(F)C2)CCCCCC1 316468615 QLOCCHOSKRJIGP-CYBMUJFWSA-N 258.352 4.742 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 317028031 SIAWHNUZVQDDLQ-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE 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4.572 30 10 CJEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(C(C)(C)C)s1 2108203702 KMSYXHGTYUZUQF-GDBMZVCRSA-N 279.449 4.799 30 10 CJEE CCCC[C@](C#N)(CC)Cc1ccn([C@@H](C)CC)n1 2108205596 BEOMDYWZPSPQAE-GOEBONIOSA-N 261.413 4.507 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CC12CCCC2)NN 2109458177 VHKNWFGGUXVMFF-JKSUJKDBSA-N 266.473 4.539 30 10 CJEE Cc1ccc(N[C@@H](C#N)[C@@H]2CCCC(C)(C)C2)cc1 2112245676 RONYACHDVNHYMZ-ZBFHGGJFSA-N 256.393 4.516 30 10 CJEE SC[C@H](COc1ccc2ccccc2c1)CC1CC1 2112869749 WPWUWJDFWVKSIU-AWEZNQCLSA-N 272.413 4.565 30 10 CJEE CCCC[C@](C)(C#N)Cc1csc([C@H](C)OCC)n1 2113497076 GUTHRKKDSFKEKB-WFASDCNBSA-N 280.437 4.503 30 10 CJEE O=C(C1=CCCCCCC1)[C@H]1[C@@H]2[C@@H]1CCCC2(F)F 2114412443 CONHFXKUQBNCMI-MCIONIFRSA-N 268.347 4.518 30 10 CJEE CC[C@]1(C)CCCN(CC2(CS)CCCCC2)CC1 2114870934 DFAZHVZFNGVGIJ-MRXNPFEDSA-N 283.525 4.769 30 10 CJEE CCc1ncc(C[C@@]2(C#N)CCCC(C)(C)CC2)s1 2116336347 FIXVYODATGJJDP-MRXNPFEDSA-N 276.449 4.748 30 10 CJEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)c(F)c1)NCCC 2116658614 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2129907421 YTXVDYPNVPJJDV-ZIAGYGMSSA-N 277.374 4.642 30 10 CJEE CCN[C@H](CC#C[Si](C)(C)C)C[C@H](C)CC(C)(C)C 2130935521 RTNISCQFAGORAC-JKSUJKDBSA-N 281.560 4.698 30 10 CJEE C[C@]1(Nc2ccc(Cl)cc2C#N)CCCC(F)(F)C1 2132126043 JUAVOKIGPXZADY-ZDUSSCGKSA-N 284.737 4.592 30 10 CJEE CCc1ccc(C#N)c(NC2CCC(CC)CC2)c1 2132314566 SYDFBBSFKOGWDL-UHFFFAOYSA-N 256.393 4.501 30 10 CJEE CCCCCCCCCN[C@@H]1CS[C@H](C(F)(F)F)C1 2132715446 BOBPWIDILSAVEJ-STQMWFEESA-N 297.430 4.763 30 10 CJEE CCCCCC#CC[C@@H](O)[C@H]1CCCCC(F)(F)C1 2138912874 USDUQIJKWKKSLJ-LSDHHAIUSA-N 272.379 4.537 30 10 CJEE CCCCCC#CC[C@]1(O)C[C@@H]2CCCC[C@]2(C)C1 2138946512 DROTUSRNQGRVIU-KSZLIROESA-N 262.437 4.682 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@H]1CC[C@H](CC)CC1 2138995379 YECMMOAXCGTIQD-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE CCCCCC#CC[C@H](NCCC)c1scnc1Cl 2139002715 PQGBHKRVHRKTID-ZDUSSCGKSA-N 298.883 4.811 30 10 CJEE CCCCCC#CC[C@@]1(CNC2CC2)CCC[C@H]1C 2139007639 FTFPIYHRNAWWRT-AEFFLSMTSA-N 261.453 4.519 30 10 CJEE C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1)C1CCCC1 2139190248 CTXGKXADFGHXOW-DLBZAZTESA-N 275.823 4.573 30 10 CJEE C=CCCCCCC[C@@H](NCC)C(C1CC1)C1CC1 2141905880 PHVNZXMSBICWAJ-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC=C1CCC[C@H]1[C@H]1CCCCN1 2141913134 FKIGEPSDBBTFFU-QZTJIDSGSA-N 261.453 4.992 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1C1CC1 2141921474 KASQRURMSCVFRV-KSZLIROESA-N 263.469 4.927 30 10 CJEE C=CCCCCCCCCN1CCC[C@H](CSC)C1 2142391038 IAJJHSKWPKHDJU-KRWDZBQOSA-N 283.525 4.978 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@@H]1C(C)(F)F 2142443908 NMQHVRGACOHEEV-GJZGRUSLSA-N 273.411 4.784 30 10 CJEE CC[C@H](C)c1ccccc1Oc1cc(C)cc(C#N)n1 2144047060 UIGCVZJCXHJKMV-ZDUSSCGKSA-N 266.344 4.568 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@](C)(O)CCCCC 2147717187 GLJVJBGGLILIQO-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CC1(C)CCC1)NC 2148014636 COLIWQSFSQNCDU-DLBZAZTESA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](O)C1(CC)CCC1 2148591365 XJEVSTWVSGATJC-IAGOWNOFSA-N 283.500 4.656 30 10 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269.432 4.961 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2163605764 GHJBJIWTZHHUEQ-AEGPPILISA-N 282.374 4.908 30 10 CJEE C=C1CCC(CC(=O)c2cc3ccccc3cn2)CC1 2163962484 BZFIOWHINXSLJM-UHFFFAOYSA-N 265.356 4.554 30 10 CJEE C=CCOc1ccccc1C(=O)CC1CCC(=C)CC1 2163964598 XZGQDYFAHPFIBE-UHFFFAOYSA-N 270.372 4.571 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@H](CN)CCC 2164188546 CGTMHNYCOPEKKI-ROUUACIJSA-N 284.532 4.870 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H](CN)CC(C)C 2164195883 KOLYLTHKXDUSKM-QZTJIDSGSA-N 284.532 4.726 30 10 CJEE N#CCc1ccc(NC2CC3(CCCCCC3)C2)cc1 2164741767 ZPVPNZSOORSLBN-UHFFFAOYSA-N 268.404 4.668 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2CC23CCCCC3)C1 2165694184 LMTSTKSGOVVZTM-KRWDZBQOSA-N 275.480 4.929 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@H](O)CCC2CCCCC2)C1 2168541191 PHTJREXOPQOSMM-SJLPKXTDSA-N 277.452 4.818 30 10 CJEE Cc1ccc([C@@H](O)[C@]2(C#N)CCCC(C)(C)C2)cc1Cl 2168549722 ZGZIXXHONDTSEC-NVXWUHKLSA-N 291.822 4.792 30 10 CJEE CC1(CC(=O)[C@H](C#N)c2cccc(Cl)c2F)CCCC1 2168905616 GOHLTDRTNBMZIU-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H](O)C1(C)CC(C)(C)C1 2169183977 WABNHMRTSQLDLL-CVEARBPZSA-N 283.500 4.642 30 10 CJEE C#CCCCC[C@@H](NCCC)c1c(F)ccc(C)c1F 2173470037 FMWGGFCJSFYHNM-OAHLLOKOSA-N 279.374 4.508 30 10 CJEE C#CCCCC[C@H](NCC)c1cc2ccc(F)cc2s1 2173470874 MOXIZSVAJGZAJG-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE CC1(C)C[C@@H](C[C@@]2(C=O)CCCCC2(C)C)C(C)(C)O1 2173663246 SEVGRVSJKCPUPG-KBXCAEBGSA-N 280.452 4.756 30 10 CJEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 2177389269 QLQQRAWOOUDGFP-MRBYEJRBSA-N 292.785 4.587 30 10 CJEE CN(c1cc(Cl)c(C#N)cc1F)[C@H]1CCCC12CCC2 2177391225 PAFIULQNQCVLAX-HNNXBMFYSA-N 292.785 4.510 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(cnn2C)c1 2178025506 LEALYVWPLJAKQN-UHFFFAOYSA-N 272.392 4.507 30 10 CJEE CCCN[C@@H]1CC[C@H](CC#CC2CCCCC2)[C@@H]1CC 2179135978 GIPMOQNARQMDCX-GBESFXJTSA-N 275.480 4.765 30 10 CJEE CCSc1cccc(OCC[C@]23CCC[C@H]2C3)c1C#N 2182994108 QRKKCGVVJAYOFF-GUYCJALGSA-N 287.428 4.629 30 10 CJEE CCCCCS[C@H]1CC2(CCC2)C[C@](C#N)(NCC)C1 2183519117 DSAFSCBWAVJTHG-DOTOQJQBSA-N 294.508 4.504 30 10 CJEE CN(CC12CCCC1CCC2)c1ccc(C#N)c(Cl)c1 2183796696 IVPJAPDBWFYGGW-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE N#Cc1cc(F)c(Cl)cc1N[C@@H]1CCCC[C@@H]1C1CC1 2184457552 FNPIQQXXMAAORG-IUODEOHRSA-N 292.785 4.731 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1c(C)ccnc1C 2186432663 OQBYGYDKWKXGLM-QGZVFWFLSA-N 274.452 4.876 30 10 CJEE CCCCCCC[C@H](NCC)[C@@](C)(O)[C@@H]1CCC1(C)C 2188567465 RFAGUQGMKLVONI-RYRKJORJSA-N 283.500 4.512 30 10 CJEE Cc1nc(OCCC(C(C)C)C(C)C)c(Cl)cc1C#N 2189254218 WWGMIIFDFRVAAW-UHFFFAOYSA-N 294.826 4.612 30 10 CJEE C=CC1(CNC[C@@H]2CSc3ccccc32)CCCCC1 2189515292 SONCJUZPPMUYRF-OAHLLOKOSA-N 287.472 4.602 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCOC12CCCC2 2190289132 FTWHLJRTYVVVDY-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE C=CCC[C@@H](C)N(C)c1ccc([C@H](C)NCCC)cc1 2190860802 GWSDKTHDBMJHPN-CVEARBPZSA-N 274.452 4.538 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2c(C)cc(C)cc2C)C1 2195598434 OVGWJEFLVFXLKF-GOSISDBHSA-N 271.448 4.790 30 10 CJEE CCCCCCCCCCOC[C@@H](N)[C@@H]1CC=CCC1 2196107463 MCOJGOLIXSFLAQ-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCCN(C)[C@@H]1CCC[C@@H](NCCC)CC1 2196690179 CSXBQKMKBAZCGR-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCN(C)[C@@H]1CCC[C@H](NCCC)CC1 2196690181 CSXBQKMKBAZCGR-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCN(C)[C@@H](CN)c1cc(C)cc(Cl)c1 2196742054 UBIDGUXQGIBKPP-KRWDZBQOSA-N 296.886 4.550 30 10 CJEE C#CC[C@@H](CN[C@@H](c1cccs1)C1CCCC1)C1CC1 2196809523 HQJUYBSKSFVXHY-FUHWJXTLSA-N 287.472 4.619 30 10 CJEE C#CC[C@H](C[C@@H](NCC)c1cscc1C(F)F)C1CC1 2196836280 IZPAUNVDRJQTIK-IUODEOHRSA-N 297.414 4.776 30 10 CJEE C#CC[C@H](C[C@H](CC1=CCCCC1)NCCC)C1CC1 2196858683 OIQBCQGMWRAISV-MOPGFXCFSA-N 273.464 4.685 30 10 CJEE C#CC[C@@H](C[C@H](NC)C1CCC(CCC)CC1)C1CC1 2196859580 UUVBVCCANNHPRB-FYOYPEGLSA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)C1CC2(C1)CC2(C)C 2197147656 BXQCFNIJNDALQI-HFCFLWKCSA-N 269.432 4.504 30 10 CJEE CC[C@]1(C)CCSC(=N[C@H]2C[C@@H]2C2CCCCCC2)N1 2200182061 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281.484 4.648 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1cc(C)cc(Cl)c1 2237903986 DXHBNXBWVMJLPX-DLBZAZTESA-N 293.838 4.966 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(F)c2)C1 2238166206 LSNGMSUPXUSXPL-KGLIPLIRSA-N 274.383 4.714 30 10 CJEE Cc1cc(C)c([C@H](C)NCCC#CC(C)(C)C)c(C)c1 2238719170 FEBYTIQHFUQRGA-KRWDZBQOSA-N 271.448 4.702 30 10 CJEE CC[C@@H](C)CC(=O)[C@H](C#N)c1ccc(C(C)(C)C)cc1 2240174264 YRJJTRDOPXSQQZ-CZUORRHYSA-N 271.404 4.597 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1cccc2ccoc12 2241198331 RJQVKMNDPXRZCW-WMLDXEAASA-N 269.388 4.523 30 10 CJEE C#CCCCCNc1cc(Cl)c(Cl)cc1C 2243326632 BUJZGUCKKYPWBQ-UHFFFAOYSA-N 256.176 4.517 30 10 CJEE CC1CC2(C1)CC(SC[C@H](CS)C(C)(C)C)C2 2251136148 QGTCFGAKPMVUHC-WEJPXRPDSA-N 272.523 4.890 30 10 CJEE CC1(CS[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 2255194924 USKVSIRXXATRFH-HZSPNIEDSA-N 265.466 4.874 30 10 CJEE CC1(CS[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)CC1 2255194925 USKVSIRXXATRFH-MELADBBJSA-N 265.466 4.874 30 10 CJEE 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Cc1cc2sccc2c([C@@]2(C#N)CCCC2(C)C)n1 2270622077 ARKJOWLHEQFAMW-INIZCTEOSA-N 270.401 4.576 30 10 CJEE C=CCCCCCCCS[C@H](CC(=N)NO)C(C)C 2271511197 BHRJZMMRJMKZOF-CQSZACIVSA-N 286.485 4.617 30 10 CJEE C=CCCCCCCCS[C@@H](C)[C@H](C#N)NCCC 2271517392 SHCPKMGOCQQOAB-HOTGVXAUSA-N 282.497 4.526 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cc(C)c(F)cc1F 2271780335 CZROZEFICZRSLO-INIZCTEOSA-N 267.363 4.670 30 10 CJEE C=C(C)CCCC[C@H](Cc1ccccc1C)NCC 2271785326 LXLITDUQPFHYIO-GOSISDBHSA-N 259.437 4.652 30 10 CJEE N#C[C@@]1(CC2CC3(CC(F)C3)C2)CCCC12CCC2 2272218758 ZVDGQDZXBQOZHZ-FKFDDHQTSA-N 261.384 4.769 30 10 CJEE CCCCCCCCCN1C[C@H](C)OC(C)(C)[C@@H]1C 2272277052 WLBSEJLLTSHCKF-HOTGVXAUSA-N 269.473 4.625 30 10 CJEE C=C(C)CCCC[C@H](NC)c1cnc(C(C)(F)F)s1 2273613131 RBWVYSAHRAWMMP-NSHDSACASA-N 288.407 4.652 30 10 CJEE CC1(CSc2nc(C(C)(C)C)ccc2C#N)CCC1 2274608689 BSBZEAQMXHFIJH-UHFFFAOYSA-N 274.433 4.533 30 10 CJEE C=C(C)CCCC[C@@](C)(CCC(C)(C)C)OCCN 2276139346 GVITUBBRCNYLDV-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=C(C)CCCC[C@H](CC(C)(C)CC)OCCCN 2276895563 BJCNKZUPHMCCNY-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C1C2CC3CC(C2)CC1C3 2277555949 DEGJSSWLYAPKHD-JHRMKZCVSA-N 257.421 4.779 30 10 CJEE C=C1C[C@H]1C[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2277877656 FHOILAJVCWSCBF-WDEREUQCSA-N 289.366 4.692 30 10 CJEE C=CCCCCCCC(=O)c1nc(C(F)(F)F)cs1 2278601452 FORGCNYMMFRXMJ-UHFFFAOYSA-N 291.338 4.871 30 10 CJEE C[C@@H]1CC(C#N)(CC[C@H]2CCCCC23CC3)C[C@@H](C)O1 2279751013 UFPQIAJXGLCQQZ-BZUAXINKSA-N 275.436 4.834 30 10 CJEE COc1c(Cl)cccc1C(=O)C1=CC[C@H](C(C)C)CC1 2283206838 XUHUGXJBKWVWTA-LBPRGKRZSA-N 292.806 4.914 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1C 2284071610 VDGHPVPUBOWHLU-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1 2284077200 PZCCOOKRYANUMT-SCTDSRPQSA-N 274.448 4.704 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@]1(C)COC 2284681052 LGWKTHGCLIUXIK-FGTMMUONSA-N 281.484 4.554 30 10 CJEE N#C[C@H](c1cccc2ccccc12)[C@@H]1CCCC[C@H]1F 2285319224 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2327973884 DDOBBSGVVUOHJP-OAHLLOKOSA-N 285.214 4.703 30 10 CJEE Cc1ccc(C(=NOCc2ccccc2F)C2CC2)c(C)c1 2330317269 LBOZODXYYWOKAG-UHFFFAOYSA-N 297.373 4.773 30 10 CJEE CC(=NOCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 2330454435 LNGKFDHXPFGVRC-UHFFFAOYSA-N 293.410 4.815 30 10 CJEE C=CCN(C(=O)C=Cc1ccc(C)cc1)[C@H]1CCCC[C@H]1C 2330844870 JWJXOILUDAQVBT-MJGOQNOKSA-N 297.442 4.602 30 10 CJEE C=CCC(CC=C)N[C@@H](c1ccc(Cl)cc1)C1CC1 2335113295 AGWFNCTWWGGLRP-QGZVFWFLSA-N 275.823 4.902 30 10 CJEE C=CCC(CC=C)Sc1nc(C)c(CNC(C)C)s1 2335236974 BKHXUEWWQNEMQT-UHFFFAOYSA-N 296.505 4.562 30 10 CJEE C#CCCCC[C@@H](NCC)c1c(F)ccc(C)c1Cl 2335580391 FSHNPPOFMWVLCZ-CQSZACIVSA-N 281.802 4.632 30 10 CJEE C=CCCCCCCCC[C@@]1(C#N)COCC1(C)C 2336172816 AWMVCKWDAOFRBN-QGZVFWFLSA-N 263.425 4.860 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 2337078570 CQDISADVKWJWAP-RPUYLAQPSA-N 261.453 4.536 30 10 CJEE CCC1=CC[C@H](CC(C)(C)Cc2ccccc2)C1=O 2339496839 VYKCUPHZVUPORF-MRXNPFEDSA-N 256.389 4.571 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ncccc2C(C)C)CC1 2340361290 ANOGGWHWVOFERT-CYBMUJFWSA-N 257.377 4.524 30 10 CJEE C=C1C[C@@H]1[C@@H](NCC)c1ccc(C2CCCC2)cc1 2341890625 ABHMSNFWCUREGZ-ROUUACIJSA-N 255.405 4.571 30 10 CJEE C=C(C)C[C@H](CC1(C)CC2(CC(F)(F)C2)C1)NCC 2341917720 MHYLWJAHBAZZCP-CYBMUJFWSA-N 271.395 4.536 30 10 CJEE N#Cc1c(Cl)cccc1OCC1CCCCCCC1 2342891159 ASEGIJXRMCEFOY-UHFFFAOYSA-N 277.795 4.951 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC[C@H]1C(C)(C)C)C(F)(F)F 2343133177 BTWOFIBPCSUOAQ-UPJWGTAASA-N 277.374 4.545 30 10 CJEE C=CC[C@@H](C)[C@H](CCC=Cc1ccccc1)NCC 2344344615 JKZNRYKWINMBAP-AEFFLSMTSA-N 257.421 4.670 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(F)c2ccccc12 2344419606 IQVZPGMJFWKPQX-UHFFFAOYSA-N 256.320 4.764 30 10 CJEE C=CC[C@H](C)[C@@H](O)CCC12CC3CC(CC(C3)C1)C2 2344477173 REWKUFAMAQLBJH-OKUQKKEKSA-N 262.437 4.556 30 10 CJEE O=C(CC#CC1CCCC1)c1cc(F)c(Cl)cc1Cl 2349910259 FAEWSUJLFYNEKF-UHFFFAOYSA-N 299.172 4.899 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)C1CCC(C)(C)CC1 2352069054 PVCSMZOYUATCNJ-QGZVFWFLSA-N 285.541 4.869 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H]1C[C@@H](C(F)(F)F)C1 2352759884 ZJQFVKDCAWNVFA-HZSPNIEDSA-N 277.374 4.690 30 10 CJEE CC(C)c1ccnc(C(=O)C2=CCCCCCC2)c1 2353003097 SWMWRWIWEFYFMM-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2357695108 JHWZKWLGXSULJZ-IPMKNSEASA-N 275.480 4.765 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1cc(C)cc(C)c1 2360201154 MCGZADIIZHRNKT-SFHVURJKSA-N 289.488 4.818 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@H](C)CC)cc1C#N 2360363642 JDFXMMVXTLIDMK-KGLIPLIRSA-N 288.460 4.503 30 10 CJEE C=CCOc1ccc(CNc2cccc(C(C)C)c2)cc1 20557924 XWGUEJMQJYKGRD-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C#N)ccc2C)s1 50430037 VCOACPACYJXOEY-GFCCVEGCSA-N 270.401 4.664 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](N)c1ccc(C)cc1 59083792 JVGCLRATRMGFNT-SJLPKXTDSA-N 277.452 4.760 30 10 CJEE C=CCCC[C@@H](NCC)C1(c2ccccc2)CCCC1 71277401 XUAGDTZIBJQOFC-GOSISDBHSA-N 271.448 4.833 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(C)C)o2)c(C)c1 77078747 DNEIKLPDRAYYOU-UHFFFAOYSA-N 253.345 4.753 30 10 CJEE CCCC1CC(C#N)(c2c(Cl)cccc2Cl)C1 86545489 VGYRHHZZJOLLCO-UHFFFAOYSA-N 268.187 4.965 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2ccccc2C)CC1 91882311 XCUNYDNDZPKYIV-NXYGQSRBSA-N 271.404 4.529 30 10 CJEE Cc1ccoc1C(=O)/C=C/c1ncc(-c2ccccc2)s1 92208936 NZOIVFDNGFABSG-BQYQJAHWSA-N 295.363 4.608 30 10 CJEE CC[C@H](C)c1ccccc1OCC1(CS)CCC1 94583226 MUWWRZPRHHSBFH-ZDUSSCGKSA-N 264.434 4.679 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccncc2)C1 94614279 AYTLEMXVAVANDZ-UMVBOHGHSA-N 274.433 4.528 30 10 CJEE O=[N+]([O-])c1cccc(OCCCCCCCCCS)c1 97799682 WWZUPCMRQYKVJR-UHFFFAOYSA-N 297.420 4.634 30 10 CJEE CCCCCCCOc1cccc(CN[C@H](C)CC)c1 100128559 WVSXGDNLBYQEDU-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCCCCCn1cc(C#N)c2cc(C)ccc21 107040607 ZIFROQVSWBSEKG-UHFFFAOYSA-N 254.377 4.792 30 10 CJEE CCCCCCCOCc1ccc(CNC(C)(C)C)o1 107344999 DNSNWQFSQMXVKT-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE CCCCCCCCCn1nc(C)c([C@H](C)NC)c1C 108042871 KNMCPDCJZNBFCW-AWEZNQCLSA-N 279.472 4.531 30 10 CJEE CCCCCCCO[C@@H]1CCCc2ccccc2[C@H]1NC 110081649 WETFHEZHXLSQPS-RTBURBONSA-N 289.463 4.639 30 10 CJEE CCCCCCCCCCN(CC)[C@](C)(CC)CN 110107728 KMHKZLPWZBGXKB-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@@H](C)c2ccccc2Cl)c1 110258469 PYILWYFQFVRUPZ-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2cc(Cl)ccc2C#N)C1 110354437 PHHCYWQWQKKUCX-ZWNOBZJWSA-N 265.809 4.882 30 10 CJEE CC(C)CCC[C@@H](C)Nc1cccc(Cl)c1C#N 110465273 CHIVXZRLYJUQBD-GFCCVEGCSA-N 264.800 4.838 30 10 CJEE CCCCCCC[C@H](Cc1cccs1)NCC 112897200 MVCJLIZGUYVOEH-CQSZACIVSA-N 253.455 4.629 30 10 CJEE CCCCCCCCCCCCN1CCN[C@H](C(C)C)C1 114054621 QFAAUGZVZRRJQH-IBGZPJMESA-N 296.543 4.837 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCCc3occc32)cc1 122101053 MGLBDHIWHABHSL-INIZCTEOSA-N 280.371 4.570 30 10 CJEE CCCCCCCCC[C@@H](NN)c1c(F)ccc(C)c1F 122202854 ZBHNGLQKYCGRNQ-OAHLLOKOSA-N 298.421 4.918 30 10 CJEE CC(C)Cc1nn(C2CCCCCC2)c(Cl)c1C#N 132230213 OOLZTTFWZDJOHJ-UHFFFAOYSA-N 279.815 4.502 30 10 CJEE CCCCCCC[C@@H](CCCOCC)NCCC 139674544 VGFKJSMTEOJGQM-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(C#N)Nc1ccc(Cl)cc1 156057166 TVTYFYIBRROMQQ-LRDDRELGSA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CSCCS1 157905855 LOIIMKKCQBOQHB-HUUCEWRRSA-N 289.554 4.564 30 10 CJEE CCCCCCCCNC[C@@H](O)c1ccc(C(C)C)cc1 159294117 VFJUYLSICHVELX-LJQANCHMSA-N 291.479 4.794 30 10 CJEE CCCCCCCCN[C@H]1CSc2ccccc21 160782697 RCFBBDORCJRVSF-HNNXBMFYSA-N 263.450 4.784 30 10 CJEE CCCCCCCCN[C@@H](CC)c1ccc(O)cc1 160835318 OFRNXZNXVJZNIS-KRWDZBQOSA-N 263.425 4.793 30 10 CJEE CCCCCCCC[C@@H](CC1CCOCC1)NCC 162667439 SQULEVVYRQECSA-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE C[C@H]1CC[C@@H](Nc2cccc(C#N)c2)c2ccccc21 163677169 YVISJWOTWBUHCV-SCLBCKFNSA-N 262.356 4.609 30 10 CJEE C[C@@H](Nc1ccccc1C#N)c1ccc(Cl)c(F)c1 215050340 UEPVEZYRBKDRGW-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(CC/C(C)=N\O)cc2)C1 217223882 FCPMRCBATWVWHD-QZTNHXMSSA-N 289.419 4.817 30 10 CJEE SCCCCCCCCCN1CCC[C@H]2CCC[C@@H]21 217861797 ILFPKEYREKLKKY-SJORKVTESA-N 283.525 4.911 30 10 CJEE C=CCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 219647329 XTENQSSJFMXOJK-IXDOHACOSA-N 263.469 4.783 30 10 CJEE Cc1cccc(C#N)c1N1CCC[C@@H](C(C)(C)C)CC1 221068136 ZUVSVCLVKUVOMZ-MRXNPFEDSA-N 270.420 4.519 30 10 CJEE CCCCCCCCCCCCN1C[C@H](C)[C@@H](C(=O)O)C1 223834135 VAOCDUWUIFFLMV-IRXDYDNUSA-N 297.483 4.560 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)s1 227610486 SWCGIJJYCIUQQX-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE CCCCCCC[C@@H](Cc1nc(C)c(C)s1)NCC 228895843 NXXJJKSLWWZTFG-HNNXBMFYSA-N 282.497 4.641 30 10 CJEE CC(C)(CCC#N)CNc1ccc(Cl)c2cccnc12 229690097 PALIFPVOLSARDQ-UHFFFAOYSA-N 287.794 4.630 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCC[C@H](C(C)C)C1 230990540 FOZUGKDIBYYMCF-LSDHHAIUSA-N 274.383 4.633 30 10 CJEE CC(C)c1ccc(-c2csc(C(C)(C)C#N)n2)cc1 231790633 SGKCRSZOFYIPNF-UHFFFAOYSA-N 270.401 4.735 30 10 CJEE CCCCCCCCCCNC[C@@H](O)c1ccsc1 231979635 XHSSIMNOFIICMX-MRXNPFEDSA-N 283.481 4.512 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C#N)cc2Cl)CC1 232788694 AVZGGUNJAGXZIK-CYBMUJFWSA-N 276.811 4.982 30 10 CJEE CCCCCCC[C@@H](O)c1cnc(C(F)(F)F)s1 232927232 WQOBJEZZFKZRMQ-SECBINFHSA-N 281.343 4.556 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](S[C@@H](C)C(C)C)C1 233301812 BFMCINBKJZEIEB-YJNKXOJESA-N 253.455 4.873 30 10 CJEE C=CCCCCC[C@@H](NC)c1nccc2ccccc12 234463657 OKGSBDAAPZHRGM-QGZVFWFLSA-N 268.404 4.632 30 10 CJEE C=CCCCCCC(=O)CSc1ccccc1F 236155654 GMZLSDFWUYKPJG-UHFFFAOYSA-N 266.381 4.623 30 10 CJEE C=CCCCCC[C@H](O)Cc1cccc2ccccc12 236535872 KAHWOOAAJDGIEX-SFHVURJKSA-N 268.400 4.880 30 10 CJEE CCCc1nccn1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 249719091 AZSQJEJJUHROLL-HRCADAONSA-N 287.451 4.753 30 10 CJEE N#C[C@H](C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccs1 250088954 NZWGXCQGCJNMRX-BARDWOONSA-N 287.428 4.531 30 10 CJEE Cc1ccc(C#N)c(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 251011928 HQEQPUPSALUZTL-QILLFSRXSA-N 271.404 4.706 30 10 CJEE Cc1nc(C2CCCCC2)sc1[C@H](C#N)C(C)C 259323393 ONUJLVHYOFUVDP-CYBMUJFWSA-N 262.422 4.762 30 10 CJEE CC(C)c1cc(Br)c(F)c(CCCC#N)c1 260248725 KADVCBRKLFJMPM-UHFFFAOYSA-N 284.172 4.558 30 10 CJEE CCCCCCCCCCN1CC[C@@H](CC)C[C@H]1CN 300172286 VKLRJCKSXDKFNV-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCCCCCC[C@H](Cc1csc(C)c1)NCC 310915570 IKWBSNXYJLAWJL-MRXNPFEDSA-N 267.482 4.938 30 10 CJEE CCCCCCCCCCC[C@@H](N)C1=COCC1 310951006 YWHUBDLAGGJCHS-MRXNPFEDSA-N 253.430 4.539 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(CC(C)C)cc1 311859439 QNLINULLBFOQIK-MRXNPFEDSA-N 259.437 4.892 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1c(C)cc(C)cc1C 312242802 QVDAAIFTLZXKTQ-KRWDZBQOSA-N 271.448 4.702 30 10 CJEE CCC[C@@](C#N)(Nc1ccccc1C)C1CCCC1 313410877 OHRQKZPSJOTXPY-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CC[C@@](O)(C1CCC1)C1(C#N)CCC(C(C)(C)C)CC1 322943336 PUZFBMFFJLTLPB-IUPXNIOVSA-N 277.452 4.674 30 10 CJEE CC1CCC2(CC1)CS/C(=N/CCC1(C)CCCC1)N2 380731648 SBBDAVFYROWRGN-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE C=CC[C@@H](CNCCC)Cc1ccc(C(C)C)cc1 387071055 YBEWDVLVONDEJM-QGZVFWFLSA-N 259.437 4.544 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1C[C@H](OCC)C1(C)C 393239583 GRASDRLOWNJVIK-IKGGRYGDSA-N 283.500 4.776 30 10 CJEE C=CC[C@H](CC)NCc1cc(-c2cccs2)cs1 393781170 RZAUPOJKHCZGGX-ZDUSSCGKSA-N 277.458 4.921 30 10 CJEE C=CC[C@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 393813839 TYLDJFRDYPNPEV-WZGPROSRSA-N 271.448 4.903 30 10 CJEE N#CC1([C@@H](O)C2CCCCCCC2)CCCCCCC1 394306536 GAQIFTRTHLLQDN-KRWDZBQOSA-N 277.452 4.962 30 10 CJEE N#CCc1cc(C(F)F)c2cc(Cl)sc2c1 396195967 WKNNWINKFIXAIK-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](NCC)C1 396547810 RIRVCHLUGHFZCL-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC(C)(C)c1ccccc1NC[C@H](C#N)C1CCCC1 397283095 FWLCFMLWVHEISF-HNNXBMFYSA-N 270.420 4.726 30 10 CJEE C=C(CC)C[C@@H](NCC)c1csc2c1CCCC2 399818016 RXVUELJPMQBSEC-OAHLLOKOSA-N 263.450 4.634 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCc2c(F)cccc2F)C1 402978865 GALGRDJHGNLTIC-MLGOLLRUSA-N 263.331 4.617 30 10 CJEE CC[C@@H](OCc1ccc(C#N)cc1Cl)c1ccccc1 403204601 NWFSCBPWRVMXAY-QGZVFWFLSA-N 285.774 4.880 30 10 CJEE N#Cc1cc(-c2cc(C(F)(F)F)ccc2Cl)ccc1O 406026119 JYKGTIUAXDYUMW-UHFFFAOYSA-N 297.663 4.603 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCCCCF)C1 687988630 VXNXKOMDWYBHML-UHFFFAOYSA-N 256.405 4.938 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2cccs2)C1 688314532 GKGMNAONYCICIJ-ZDUSSCGKSA-N 277.433 4.528 30 10 CJEE C=C(C(=O)C1CC(C)(C)CC(C)(C)C1)C(F)(F)F 688334858 MQWPNMKGMFHARU-UHFFFAOYSA-N 262.315 4.527 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCOC1)NCCC 689585539 XEJKFGWFJAWVCJ-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE N#C[C@@H](CNc1ccc(C2CCC2)cc1)C1CCCC1 690091975 DLBUHMMXLAAAQU-KRWDZBQOSA-N 268.404 4.696 30 10 CJEE C#C[C@H](Nc1cccc(SC(F)F)c1)c1ccccc1 690220305 NJSYEEMEBWYXHI-HNNXBMFYSA-N 289.350 4.788 30 10 CJEE CCC[S@](=O)N=C1CCCCCCCCCCC1 692999458 ICULPAWDVDBTIK-SFHVURJKSA-N 271.470 4.806 30 10 CJEE N#CCc1ccc(NCc2cc3cscc3s2)cc1 693992231 FQWHHSXIRUSIOZ-UHFFFAOYSA-N 284.409 4.641 30 10 CJEE CCCCCCCCCNC[C@H](OC)C1CCCCC1 695159010 CZDHUNGIWCXDTR-SFHVURJKSA-N 283.500 4.922 30 10 CJEE C=C([C@@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C)C(F)(F)F 699083574 HKZYJMYSNRKGDS-UXIGCNINSA-N 291.401 4.936 30 10 CJEE CCCCCCCCCCC(=O)C1C[C@@H]2CC[C@H](C1)N2 699264638 VEUCBDBFAGBZJQ-ALOPSCKCSA-N 279.468 4.617 30 10 CJEE CCCCCCCNCc1ccc(Br)c(C)c1 703753112 LHHOOZAXZXRZFU-UHFFFAOYSA-N 298.268 4.818 30 10 CJEE CCCCCCCN[C@H](c1ccc(F)cc1)C1CC1 703778920 VAHHGHAANDIXHW-KRWDZBQOSA-N 263.400 4.837 30 10 CJEE CCCCCCC[C@@H](C[C@H](C)C(F)(F)F)NCC 705502500 SICPJLCXDMCMHI-STQMWFEESA-N 267.379 4.914 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]2CCC[C@@H]21 707770773 AKQFJFYHLJCHMA-SOUVJXGZSA-N 273.445 4.955 30 10 CJEE CCC[C@H]1CCCN([C@H]2C[C@H](CCC)CC[C@@H]2C#N)C1 708389948 SMLXKXFJNUHXPV-XDNAFOTISA-N 276.468 4.607 30 10 CJEE CCC(CC)[C@@H]1CN/C(=N/CC2C[C@@H](C)C[C@@H](C)C2)S1 710031495 CPQSHXZVWCUGGT-DXBFTMOHSA-N 296.524 4.556 30 10 CJEE CCCCCCCCCN1CCC[C@H](C)[C@H]1CCCN 710573073 MOEBWQCRBNLJSG-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc2ccccc2o1 710597020 ZYTHHSFHOJXBEE-CYBMUJFWSA-N 263.768 4.616 30 10 CJEE C=CCC[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580096 ITJHNCNHZZKFSO-LBPRGKRZSA-N 291.744 4.976 30 10 CJEE CC#CCCn1ccc2c(OCc3ccccc3)cccc21 720928645 KOQYTCLUQQEFJH-UHFFFAOYSA-N 289.378 4.634 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H](C1CCCCC1)C1CC1 723843739 SJUFVQKQFWLBGX-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=C1CCC(CNc2cc(F)cc(Br)c2)CC1 724542501 NEICRBKUXFLGFO-UHFFFAOYSA-N 298.199 4.747 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2O)CC1 724595857 WZCRPTDCVKXKFM-ZACQAIPSSA-N 264.453 4.946 30 10 CJEE C1CCC(CCC/N=C2/N[C@H](C3CCCC3)CCS2)C1 725080328 JGZODQBABLXWIC-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C1CCC(CCC/N=C2/N[C@@H](C3CCCC3)CCS2)C1 725080329 JGZODQBABLXWIC-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE CCOc1cc(C=Nc2ccc3ccccc3c2)ccc1O 1084623188 TZOUIAGSNRPAMT-UHFFFAOYSA-N 291.350 4.695 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1 1125459675 AULDOBAUXLBMBM-UHFFFAOYSA-N 291.394 4.623 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)c1ccccc1F)c1ccccc1 1131134849 RCKUMNYBXGFTEP-KSSFIOAISA-N 298.357 4.790 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CCC[C@H]1CCC)c1ccccc1 1131134974 SSCUYVWFCQVTLH-PVAVHDDUSA-N 272.388 4.673 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)C(C)C)C1 1183823252 QWNSCDGQYURBKG-NZSAHSFTSA-N 271.448 4.588 30 10 CJEE C=CCC1(C(=O)Nc2cccc(CSC)c2)CCCC1 1264990598 MDLNFLFBZQXQHR-UHFFFAOYSA-N 289.444 4.625 30 10 CJEE CCCCCCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1266263649 QAQZKCMNWHTMGO-HOTGVXAUSA-N 279.468 4.702 30 10 CJEE C=C[C@H](C)Nc1nc(C)nc2sc(-c3ccccc3)cc12 1307003149 VPJJUGLOBJVJJF-NSHDSACASA-N 295.411 4.653 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)F)c(F)c1 1308462348 ORSDVHADPIDAPE-CJNGLKHVSA-N 297.364 4.988 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 1308510686 SEEJUDWGCQQXPT-FJIDUMEYSA-N 275.480 4.763 30 10 CJEE C=C[C@@H](CC(=O)N(CC(C)C)C1CCCC1)c1ccccc1 1355487099 IFILXKDJVXDCLA-KRWDZBQOSA-N 299.458 4.774 30 10 CJEE C=C1CCC(C(=O)N(CC)[C@H](CC)Cc2ccccc2)CC1 1355965888 YFMOAXNQTIQNEX-LJQANCHMSA-N 299.458 4.603 30 10 CJEE C=CCCC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 1436023796 UJMPTCBNHWKTNG-GOSISDBHSA-N 287.447 4.764 30 10 CJEE C=CCCCCCOc1ccc(C(C)C)cc1C=O 1459301634 YNDJFYRYZZEOBY-UHFFFAOYSA-N 260.377 4.748 30 10 CJEE C=C(Cl)CN(Cc1ccccc1)C1CCCCC1 1459355960 ZKGBOODDPVVUFR-UHFFFAOYSA-N 263.812 4.574 30 10 CJEE C=C(C)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 1459960192 GVQAGYDXJKTNEC-ZFWWWQNUSA-N 283.337 4.507 30 10 CJEE C=CCCCCCN(CCc1cccc(F)c1)C1CC1 1473174369 UGEZELBDQVQFOX-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](C)CCC3CCCC3)cc21 1474729316 CALDPPSJXJOQIO-HNNXBMFYSA-N 297.446 4.993 30 10 CJEE C=CCC1(CNC(=O)c2coc3c(C)cccc23)CCCC1 1521324498 YTRWCWWYRIVLBP-UHFFFAOYSA-N 297.398 4.608 30 10 CJEE C=CCCCCCCNC(=O)c1ccc(CC(C)C)cc1 1525483765 PZHJQQWUSSECAJ-UHFFFAOYSA-N 287.447 4.751 30 10 CJEE C=CCCCCCCCCNC(=O)[C@@]1(C)CC=CCC1 1527714354 PYTKFOAPPUOXCW-SFHVURJKSA-N 277.452 4.766 30 10 CJEE C=CCCCC(=O)OCc1ccc(SCCC)cc1 1528407228 MFMMNIJOTMGJLQ-UHFFFAOYSA-N 278.417 4.588 30 10 CJEE C=CCCC[C@H](NC(=O)[C@H]1CCC1(C)C)c1ccccc1 1536600384 XCDJTDLDVXRRNE-SJORKVTESA-N 285.431 4.636 30 10 CJEE C#Cc1cccc(N(C(=O)CC2(C)CCCCC2)C(C)C)c1 1537135609 YAUNXAPBIKCGJW-UHFFFAOYSA-N 297.442 4.770 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2cccc(F)c2)C1 1560789186 PYWVWPWTTRHVMK-ZVZYQTTQSA-N 275.411 4.796 30 10 CJEE C=CC[C@H]1CCCN(C(=O)[C@@H](CC(C)C)c2ccccc2)C1 1583960843 KVPPZLMJVOYZPM-HKUYNNGSSA-N 299.458 4.631 30 10 CJEE C=C[C@H](OC(=O)C1CCC(C2CC2)CC1)c1ccccc1 1587283107 LNAOYBIQSHTUHW-VJFUWPCTSA-N 284.399 4.673 30 10 CJEE C=CCC1(C(=O)N(C)[C@@H](C)c2ccccc2C)CCCC1 1587356406 YAMGIJHIJPFRCG-INIZCTEOSA-N 285.431 4.651 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1nc2c(s1)CCC[C@@H]2CC 1616525578 KBMVMCHIHXOTOH-NEPJUHHUSA-N 292.448 4.514 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)nc2ccccc12 1620414574 DAQSEGGUGBTZTD-LPHOPBHVSA-N 294.442 4.768 30 10 CJEE C=CC(C)(C)CCCNc1cc(Cl)ccc1[N+](=O)[O-] 1652197671 CISSZHKRZRGTJO-UHFFFAOYSA-N 282.771 4.653 30 10 CJEE C=CCN(C[C@@H](OC(C)C)c1ccccc1)c1ccccc1 1652230349 UOMSJFFNBWKMQX-HXUWFJFHSA-N 295.426 4.845 30 10 CJEE C=C(CC)CNC1(c2ccc(Cl)c(Cl)c2)CC1 1654277016 SLOWOFAUXPGXCO-UHFFFAOYSA-N 270.203 4.538 30 10 CJEE C=CCCc1ccccc1NCc1ccc(C)s1 1657845244 CMCLAGYVJDNCOZ-UHFFFAOYSA-N 257.402 4.787 30 10 CJEE C#Cc1ccc(NCc2ccc(-c3ccc(F)cc3)o2)cc1 1658729310 UQKNUYFBYCFOOB-UHFFFAOYSA-N 291.325 4.679 30 10 CJEE C=CCCCCC[C@H](C)NCc1ccc(C)c(F)c1 1658959859 HEJJNIVHIKWXIE-HNNXBMFYSA-N 263.400 4.749 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C#N)ccc1OC 1659392743 GIOHKCPDSVRFKV-CQSZACIVSA-N 274.408 4.728 30 10 CJEE C=CCC[C@@H](CCC)NC[C@@H]1CCCCC1(F)F 1664844432 ZUBCRUBHIIWXRE-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCC[C@@H](C)NCCc1cn(C)c2ccccc12 1665264608 NOMBYDNRRDZSGH-QGZVFWFLSA-N 298.474 4.835 30 10 CJEE C=C(C)CN(CC)C(=O)Nc1cc(C)cc2ccccc12 1670137202 LUTPNIGOJCOQJP-UHFFFAOYSA-N 282.387 4.578 30 10 CJEE CCCCC[C@@H](CC)N=C1NC2(CCCC2)CCS1 1879337378 WOBNLUYHVJHRDE-CQSZACIVSA-N 282.497 4.741 30 10 CJEE CCCCCCCCCCN1C[C@H](CCC)CC1=O 1883858393 OEJYHZDRAVQFRK-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1CCC(C)(C)C1 1885228240 MBGFDBYGBXHDOM-SJORKVTESA-N 263.469 4.765 30 10 CJEE CCCCCCCCN(C)c1c(Cl)cccc1C=O 1887060632 GUHTWPODTRHBCT-UHFFFAOYSA-N 281.827 4.949 30 10 CJEE CC(C)=C(CS[C@H](C)C(C)C)B1OC(C)(C)C(C)(C)O1 1889009622 GNBOAKHOUGMSCU-CYBMUJFWSA-N 298.301 4.732 30 10 CJEE CC=C(CC)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 1894554301 RNWCGCDDPGYLJX-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cscc1Cl 1903155042 KRAXNJNMOIRXSS-CHWSQXEVSA-N 257.830 4.654 30 10 CJEE C=C(CC)C[C@@H](N)c1c(Cl)cc(C)cc1Cl 1905194084 SHBJAYHVSNERIK-GFCCVEGCSA-N 258.192 4.658 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(N)ccc1C 1909476434 FSYYMMBEJVSLNV-QGZVFWFLSA-N 263.425 4.751 30 10 CJEE CC[C@@H]1C[C@@H](C)SC(=N[C@@H](C)c2ccc(Cl)cc2)N1 1912053023 VHIOVUWEIDVJSG-UHIISALHSA-N 296.867 4.651 30 10 CJEE CCCCCCC[C@](C)(OCCc1cccs1)C(=O)O 1912234474 UQPJTQDIFYZVHT-INIZCTEOSA-N 298.448 4.511 30 10 CJEE CCCCCCCCCC(=O)C1CC2(CCCO2)C1 1912649242 ZZGHNIKSLBJCHZ-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE CCCCCCCCCC[S@](=N)(=O)[C@H](C)CC 1917954935 KIRPTCAXHAXHIO-PBHICJAKSA-N 261.475 4.972 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(F)cc(Cl)c1 1918474202 DGNSJWIETPBGIZ-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](CC(C)(C)C(C)C)NC 1920812308 OHUVOUOHJVSEBY-SJLPKXTDSA-N 285.516 4.758 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@](C)(O)c1ccc(Cl)cc1Cl 1921087279 QHUQMLPOCAKWMD-WKPIXPDZSA-N 298.213 4.531 30 10 CJEE CC1([C@@H](O)[C@@]2(C#N)CCCC23CCC3)CCCCCC1 1921263435 DPAGCWBGSAWKIJ-QAPCUYQASA-N 275.436 4.572 30 10 CJEE CO[C@@H](C[C@@]1(C=O)CCCC12CCC2)C1CCCCC1 1921626197 ZEJXWYMMCBRSGR-FUHWJXTLSA-N 278.436 4.511 30 10 CJEE C=C([C@@H](NCCC)c1c(F)ccc(C)c1F)[Si](C)(C)C 1922867306 DMKZQPMQGHDRJN-MRXNPFEDSA-N 297.465 4.748 30 10 CJEE C=C([C@@H](NCCC)[C@H](CCC)C(C)C)[Si](C)(C)C 1922986224 UGWZXAOGJAKFAD-HZPDHXFCSA-N 269.549 4.861 30 10 CJEE Cc1ccc(Cl)c(C(=O)CC#CC2CCCCC2)c1 1925531100 LJMCFTYMZUXYCM-UHFFFAOYSA-N 274.791 4.805 30 10 CJEE CCCCCCCNc1cccc(F)c1Br 1936798656 ROVHBHBHWIJNMD-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE CCCCCCC[C@H]1Nc2cccc(Br)c2O1 1940944403 OIWZRMGCEQMNRQ-ZDUSSCGKSA-N 298.224 4.940 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CC[C@H](C)S1 1946349409 CMPHLQFEPRQUMP-ZFWWWQNUSA-N 256.455 4.980 30 10 CJEE C=C(C)CC[C@@H](C)N[C@H](c1cccs1)C(C)C 1947381364 JSASFJPQUZONOX-HIFRSBDPSA-N 251.439 4.780 30 10 CJEE CC1(C)CC[C@@H]([C@@H](C#N)c2ccccc2Br)C1 1949504138 DUJDLTRZUYNABW-DGCLKSJQSA-N 292.220 4.883 30 10 CJEE C=C(Cl)C[C@]1(CNCC)CCCC(C)(C)CC1 1950919701 PKHKGQGZUKRZNL-HNNXBMFYSA-N 257.849 4.715 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCC12CC2 1957115661 AVWPZPGYAHEVCD-QFBILLFUSA-N 283.415 4.703 30 10 CJEE C=CCC[C@@H](C)C(=O)c1cc(Cl)c(Cl)s1 1958092566 GROSZPRVVFBWOS-SSDOTTSWSA-N 263.189 4.840 30 10 CJEE C=CCC[C@@H](C)n1ccc2ccc(Br)cc21 1975923764 FZOVXVPYAWXKTE-LLVKDONJSA-N 278.193 4.931 30 10 CJEE C=C1C[C@H]1C[C@H](NCC)c1scc(Cl)c1Cl 1976078640 XQHDCDBDTDNYFD-WPRPVWTQSA-N 276.232 4.672 30 10 CJEE C=C1CCC(C[C@H](O)c2ccsc2Cl)CC1 1983221860 QWEBMENDEWMDDW-LBPRGKRZSA-N 256.798 4.571 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(Br)cc1 1996467211 NRLDLARHKWNZRM-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE C=CCCC[C@@H](N)c1cc(-c2cccs2)cs1 2000266991 NLDXVEPPPCWKCJ-GFCCVEGCSA-N 263.431 4.833 30 10 CJEE C=C([C@H](NCCC)c1cscc1F)C(C)(C)C 2007025768 SEGVYIOMKIKKPE-ZDUSSCGKSA-N 255.402 4.530 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccc(Cl)s1 2024356645 MXFVGDXDVWWOTD-LBPRGKRZSA-N 269.841 4.636 30 10 CJEE Cc1cc(Cl)ccc1C[C@@]1(C#N)CCC[C@H](C)C1 2027584198 QWKQJWPDENCNHU-BLLLJJGKSA-N 261.796 4.911 30 10 CJEE CC1(C)CCC[C@]1(C=O)C[C@@H]1CCCCC1(F)F 2032111011 DUXTUGJKZSIFEG-GXTWGEPZSA-N 258.352 4.597 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CC1(C)C)NCCC 2032422576 AFDBEEKKUMCSGM-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=C([C@H](CC[C@@H]1CC1(C)C)NCCC)C(C)(C)C 2035417502 IAZNLUZFLFACHV-CABCVRRESA-N 251.458 4.783 30 10 CJEE C=C([C@H](NC)c1csc(C(F)(F)F)c1)C(C)(C)C 2035425531 KXLFANYQZODCAC-NSHDSACASA-N 277.355 4.630 30 10 CJEE N#C[C@H](SC1CCCC1)[C@@H]1CCC2(CCCC2)C1 2037681078 CQVMLWQOSLXZOQ-HIFRSBDPSA-N 263.450 4.915 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H]1CCC[C@H](C)CC1 2039378888 WYACMJKEDOHKIK-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=CCC[C@H](C)[C@H](O)c1cc2c(s1)CCCCC2 2040520262 XSWKKXNAIYLYRG-LRDDRELGSA-N 264.434 4.653 30 10 CJEE CCCCCCC[C@@](C)(N)C1CCC(F)(F)CC1 2040683899 OBTWAJBDEYOSBJ-CQSZACIVSA-N 261.400 4.890 30 10 CJEE C=CCC[C@@H](NCCC)c1cccc(CSC)c1 2043194007 JDEUEPGEEIDXDI-MRXNPFEDSA-N 263.450 4.557 30 10 CJEE CCCCCCCOC1(CC)CCC(=NO)CC1 2043232645 XQIINVIECKNNEF-UHFFFAOYSA-N 255.402 4.526 30 10 CJEE C=C([C@H](NCC)c1cccc(SC)c1)C(C)(C)C 2045796796 LHDIOFCHZXRHJG-HNNXBMFYSA-N 263.450 4.661 30 10 CJEE CCC1CC(C2(C=O)CC(C)(C)CC(C)(C)C2)C1 2048583184 NLXNZEWXSWQOCK-UHFFFAOYSA-N 250.426 4.844 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H](CC)C(C)C)CCC1 2049039980 KZVGBLFRQOBYEZ-JKSUJKDBSA-N 251.458 4.783 30 10 CJEE C=CCCCCCC(=O)c1cc(F)c(F)cc1Cl 2049591177 KMCNEUSPYFQPBG-UHFFFAOYSA-N 272.722 4.937 30 10 CJEE 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C=CCCCCCCC[C@](C)(O)COc1ccccc1 2235542247 QOSCTGYYNDUTGG-SFHVURJKSA-N 276.420 4.733 30 10 CJEE CCCCCCCCCNC1CCC(C(C)(C)O)CC1 2236923436 DTTJYQYPYXNIQM-UHFFFAOYSA-N 283.500 4.656 30 10 CJEE C[C@H]1CCC[C@](C=O)(CC2(C)CC3(CC(F)(F)C3)C2)C1 2238798984 CTDUZHDFJVALDI-DZGCQCFKSA-N 284.390 4.988 30 10 CJEE CCCCCCCCCOC[C@H](NCCC)[C@H]1C[C@@H]1C 2239438370 BUZODYGMFMWQLE-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCOC[C@H](NC)[C@H]1CCC1(C)C 2239445321 HBITUDXLTNIRKK-SJORKVTESA-N 283.500 4.778 30 10 CJEE CCC[C@H]1CCC[C@](N)(C#Cc2ccc(Cl)cc2)CC1 2239464610 SXERNSROMONWAS-MAUKXSAKSA-N 289.850 4.769 30 10 CJEE CN[C@@H](C#Cc1ccc(Cl)cc1)[C@@H](CC(C)C)C(C)C 2239467972 LZLYAAJVBMYVIM-ROUUACIJSA-N 291.866 4.598 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(C(C)(C)C)c(Cl)nn1 2239500950 FGQZYSBLOMODCO-LBPRGKRZSA-N 296.842 4.941 30 10 CJEE CCCN[C@H](C#Cc1cccc(Cl)c1)[C@@H](CC)C(C)C 2239562404 NBWYMXQCTWQQMY-ZWKOTPCHSA-N 291.866 4.742 30 10 CJEE CCCCCCCC[C@@](C)(CN)N1CCC(C)(C)CC1 2240562292 JDAMPUBJEOSIHU-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(CC)C1CCCC1 2240564063 ZLRNCWCJPRUEBM-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@@H](C)NCC12CC(C)(C1)O[C@H]2C 2240659060 ZYAHSWQSTIPKPT-VEZWFGLTSA-N 281.484 4.673 30 10 CJEE C=CCCCSCc1cccc(Br)c1 2241918105 XJKYZSQURZUYCZ-UHFFFAOYSA-N 271.223 4.649 30 10 CJEE C=C(C)CCCCOC(C)(C)[C@@H](C)NCc1ccccc1 2241944982 NLADAAPWJQSDAZ-QGZVFWFLSA-N 289.463 4.706 30 10 CJEE C=CCC[C@@H](C)c1ccc(C)c(Br)c1 2242465258 POLCKYRALSQKLT-SNVBAGLBSA-N 253.183 4.827 30 10 CJEE CC(C)(C)[C@@H](CS)CSCC1=CCCCC1 2243235127 AVYHHPDQWGCDIU-ZDUSSCGKSA-N 258.496 4.812 30 10 CJEE C=CCCCS[C@@H](c1sccc1C)[C@@H](N)CC 2250030013 RGAKRCDYHWMRLS-GXTWGEPZSA-N 269.479 4.534 30 10 CJEE C=CCCSc1cc(Cl)sc1CN[C@@H](C)CC 2250729886 RLSXHKALHPPAFV-JTQLQIEISA-N 289.897 4.958 30 10 CJEE C=CCCCCCC(=O)C1(C)CC(C(F)(F)F)C1 2253663154 UCRLKUVYPFIZGA-UHFFFAOYSA-N 262.315 4.671 30 10 CJEE N#C[C@]1(CC2CC3(CCCC3)C2)CCC(F)(F)C1 2254062978 YASQMYYSONTGHV-AWEZNQCLSA-N 253.336 4.676 30 10 CJEE C=CCCCSc1ccc(C(F)(F)F)cc1C#N 2258992672 ISTNVMNDUMBLDM-UHFFFAOYSA-N 271.307 4.635 30 10 CJEE C=CCCCSc1cc(CNC2CCC2)sc1C 2259045572 PASDBOBUCGZZHH-UHFFFAOYSA-N 281.490 4.757 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@H]1NC 2259050285 ZUUGRNXLDMECNE-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1CCCCC12CCC2 2259242639 ZBGNYHBHKFQGRF-CVEARBPZSA-N 250.426 4.844 30 10 CJEE CCCCCCC[C@@](C)(CCCC)OCCCN 2262532408 FILHOCLHZKFOOS-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1CCCCC1 2268739318 OQSRDEULJOUKMA-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE CC1=CC[C@@](C)(C(=O)CC=CC#CC(C)(C)C)CC1 2268760702 APCYVKQJNGLPQC-GOSISDBHSA-N 258.405 4.688 30 10 CJEE Cc1cc([C@H](O)CC=CC#CC(C)(C)C)ccc1Cl 2268784687 FGIUAFOYBYPEBD-MRXNPFEDSA-N 276.807 4.678 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)C(C)(C)C1CCCC1 2268790615 UOUAADLSLJLYMC-INIZCTEOSA-N 262.437 4.560 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)CC(C)(C)C 2268824341 WQKJLRGPFPNUMB-HOTGVXAUSA-N 263.469 4.643 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccccc1F 2271495567 NYHPFPCGNGDVNQ-MRXNPFEDSA-N 281.440 4.566 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1ccsc1OC 2271780156 AJCQBMGYRCEKQF-OAHLLOKOSA-N 281.465 4.934 30 10 CJEE C=C[C@](N)(c1cccc(C2CCCC2)c1)C(C)(C)C 2273545772 RTBLYKXSWQITGS-SFHVURJKSA-N 257.421 4.730 30 10 CJEE CCCC1CCC([C@@](C)(N)C#CC2CCCC2)CC1 2274001389 OJYCZUSJWWXUBM-VJFUWPCTSA-N 261.453 4.504 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(CC#CC2CCCC2)C1 2274193232 SABODBFQTOZOHQ-QZTJIDSGSA-N 262.437 4.538 30 10 CJEE C=CCCCC[C@@H](OCCCN)C(CCC)CCC 2277270754 KPRHCROZPOSVTR-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@](OCCN)(C(C)C)C1CC1 2277357083 CWVLKTGRRKYEMF-KRWDZBQOSA-N 269.473 4.517 30 10 CJEE C=C(C)COCCN[C@H](C)CCCCCCCCC 2278247981 YUNZIIZNKTXMIC-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE N#Cc1c(Cl)cccc1OCC[C@H]1CCCCC12CC2 2279643226 JWQXIEBDTKTMFD-CYBMUJFWSA-N 289.806 4.951 30 10 CJEE Cc1cc(NCCSC2CCCCC2)cc(C)c1C#N 2280573834 YLGKINDRNMPMQO-UHFFFAOYSA-N 288.460 4.653 30 10 CJEE 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30 10 CJEE CCCCCCC[C@@H](CC1CC(C)(F)C1)OCCCN 2294665173 OTKACIANTUYOCU-CGZBRXJRSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@H](N)c1c(Cl)cc(OC)cc1OC 2294913792 JUXNLHBSYGBJIQ-CQSZACIVSA-N 299.842 4.718 30 10 CJEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)c(F)c1)NCCC 2295297206 UOYMSYZLLCHHLU-CXAGYDPISA-N 297.845 4.992 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)[C@H]1CCCNC1 2295535536 DOQHAZODQNZECJ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC[C@@H]([C@@H](C)N)C1 2295537364 YRDPLCZTWDRXOZ-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)[C@@H]1CC[C@H](C)C1 2295597660 YEZXGPOQEHOHQK-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE C=C(Cl)[C@@H](O)CCCCc1cc(Cl)cc(Cl)c1 2302381618 XYGVRJFVYQHVLZ-ZDUSSCGKSA-N 293.621 4.820 30 10 CJEE C=CCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)NCC 2312085009 ZPXJDXQIJDVFDR-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(Cl)cc1)O2 2314519423 NRWCAOQYPYQMSU-UHFFFAOYSA-N 284.742 4.573 30 10 CJEE Cc1c(C[C@]2(C=O)CC[C@H](C)C2)ccc(Cl)c1Cl 2316689896 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2329917887 YZDUDXFJXZDJPY-SNVBAGLBSA-N 269.747 4.562 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)[C@@H]1C[C@H]1C1CCCCCC1 2332722553 SYUDSQRRJXAVQA-SPUZQDLCSA-N 263.469 4.783 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2F 2333960922 QNRLLGFPNSGPNF-QUSNUVHPSA-N 269.448 4.852 30 10 CJEE C#Cc1ccccc1NC1CCC(CC)(CC)CC1 2339911302 KJNGNUDNAZEZBO-UHFFFAOYSA-N 255.405 4.829 30 10 CJEE CC(C)=CCC[C@H](C)OCc1ccc(C#N)cc1C 2341676904 LHOVAOCBBLKYCI-HNNXBMFYSA-N 257.377 4.518 30 10 CJEE C=C(C)CC[C@@H](O)[C@H](c1ccccc1)C1CCCC1 2342359835 KNNQGLCMDIVCPZ-QZTJIDSGSA-N 258.405 4.678 30 10 CJEE CCCCCCC[C@@H](N)c1cccc(COC)c1C 2343695446 XRSBMTUWLJWJRQ-QGZVFWFLSA-N 263.425 4.502 30 10 CJEE C=C([C@@H](NC)c1cccc(C2CCC2)c1)C(C)(C)C 2343774831 BNSUQHORVRKXEH-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1csc(COC)c1 2344337618 SETVPHCASTXJHJ-HZPDHXFCSA-N 281.465 4.538 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)c(C)c1F 2344346226 QQDHBSSOOBNIPA-INIZCTEOSA-N 263.400 4.695 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccccc1C(C)C)NC 2344381383 CDNJGSHBQALHCV-KRWDZBQOSA-N 259.437 4.543 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(OC)s1 2344382997 ZCMHZJOBPUKZRM-CVEARBPZSA-N 281.465 4.790 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C(C)(F)F)cc1 2344475746 WPGDWXQWEIPHCP-LSDHHAIUSA-N 268.347 4.824 30 10 CJEE CCCCCCCCCOc1ccnc(Cl)c1C=O 2344735158 AKXYBUZFWKXHIE-UHFFFAOYSA-N 283.799 4.677 30 10 CJEE CC1(C)CC[C@H](CC[C@@]2(C#N)CCOCC2(C)C)C1 2344861843 NAAGNOVQBJSDQG-PBHICJAKSA-N 263.425 4.549 30 10 CJEE CCC[C@@H]1CCCCN(CC2(CS)CC(C)(C)C2)C1 2345005051 SXJCPWJDVVEDSP-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@@H](C(C)(C)C)C1 2352010256 XZNCFMNPMZUKKG-CZUORRHYSA-N 284.465 4.746 30 10 CJEE Cc1cc(F)c(F)cc1OC[C@@](C)(CS)C(C)(C)C 2352093654 SHFOUMOTIFGEOJ-HNNXBMFYSA-N 288.403 4.634 30 10 CJEE CC(C)c1cc(C(=O)C2=CCC(C)(C)CC2)ccn1 2353577441 IJTCKQBIBHGUEB-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@](C#N)(NC1CCCCCC1)C2 2354150987 PCQPYHNDJDGMNX-NJAFHUGGSA-N 274.452 4.551 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@@H]1CCC[C@H]1C(C)C 2359393600 APVQLUMMELFUAO-KSZLIROESA-N 275.480 4.643 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCC)c1ccc(F)cc1 2360200759 JHBRMNVWKKEGIO-QGZVFWFLSA-N 293.451 4.730 30 10 CJEE C=C(C)Cn1c(/C=C\c2ccc(F)cc2)nc2ccccc21 33448848 BMJMQNFLBUTJQB-XFXZXTDPSA-N 292.357 4.922 30 10 CJEE C=CCOc1ccccc1CNC[C@@H](CC)CCCC 34990761 FYMDHHOUDCBGBG-INIZCTEOSA-N 275.436 4.557 30 10 CJEE CCc1cccc(Oc2ccc(C(F)(F)F)cc2C#N)c1 37334104 ZWRHJMCPOJPKFK-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1ccc2ccccc2c1 37935269 JGDHRCOGMMYXNO-GOSISDBHSA-N 258.324 4.517 30 10 CJEE Cc1ccccc1OCCC[C@@](C)(C#N)c1ccccc1 57687478 YXVDUNZCRRTKFI-IBGZPJMESA-N 279.383 4.636 30 10 CJEE C[C@H](c1ccccc1)[C@@H](C#N)c1cccc(Cl)c1 57746209 MBZXMYUMOCBYED-MLGOLLRUSA-N 255.748 4.751 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2cccc(N(C)C)c2)cc1 57758937 XFPOEOALUWUDCK-LJQANCHMSA-N 292.426 4.726 30 10 CJEE CCCCCCCCCNc1ccc(OC)cc1OC 59088644 ZJRQGFBPZMHNRC-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE CCOc1ccccc1/C=N/c1c(C)cc(C)cc1C 59457036 QTNNMAMZPBFIPS-XDHOZWIPSA-N 267.372 4.761 30 10 CJEE COc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1Cl 61850683 CKLFFSQFKVXYMB-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE Cc1ccc(Nc2cccc(Cl)c2C#N)cc1Cl 70138298 HJLHPOQMAYMHRZ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCc1oc(-c2c(OC)cc(C)c(Cl)c2C)cc1C#N 77077813 OWDPIGCRQVPKSK-UHFFFAOYSA-N 289.762 4.660 30 10 CJEE C[C@@H]1C[C@H]1c1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)o1 91882922 UOAHBHYCSCBYAK-IOASZLSFSA-N 287.403 4.547 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2Cc3ccccc3S2)C1 92273549 FTSVFWYXJOXAGI-KMFMINBZSA-N 271.429 4.814 30 10 CJEE N#C[C@]1(CCSc2ccccc2)CCc2ccccc21 92273635 BXVJCDAMJLOYPN-GOSISDBHSA-N 279.408 4.577 30 10 CJEE CCCCCCCCCC[C@@H](COCCC)NC 109733548 KMXRXSSTCDDNGQ-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=CCOc1ccccc1CNc1c(C)cccc1CC 109899655 RKCFPLHTJRLKJH-UHFFFAOYSA-N 281.399 4.734 30 10 CJEE CCCCCCCCCC[C@]1(CNC(C)C)CCOC1 110213399 YHIXTOXXNTZXMU-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@@H](C)NC 112993212 CHHKNDZHJANTQN-CQSZACIVSA-N 281.415 4.845 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](CN)c1ccc(C(C)C)cc1 115923224 MUPQMIPTCDPCEF-RBUKOAKNSA-N 291.479 4.574 30 10 CJEE CCCCCCCCCC[C@H](N)C(CC)(CC)N(C)C 118168359 VKSDNQLTFHVTPX-KRWDZBQOSA-N 284.532 4.965 30 10 CJEE CCCCCCCCCCNc1cc(Cl)ncn1 124885998 IEIYTCZNNTWTNV-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 125735616 RXFHIDMMORFBBO-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCCN1CC[C@H](CC)NC[C@H](C)C1 129454252 RFKZXCXZACFMCT-OALUTQOASA-N 296.543 4.837 30 10 CJEE CCCCCCC[C@H](NCCC)C1C[C@@H]2CC[C@H](C1)N2C 129786551 PQXWUWCCTAQYCQ-IPQPSQTFSA-N 294.527 4.588 30 10 CJEE C#CC[C@H](C)NCCCCCCCCCCCC 130411543 AGTFNMYXTPLLHT-KRWDZBQOSA-N 251.458 4.909 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(C(F)F)cc2)cc1 131479060 SRPXOWNRGDFJKJ-OAHLLOKOSA-N 272.298 4.609 30 10 CJEE CCSc1cccc(N[C@@H]2CCC(C)(C)C2)c1C#N 132744642 PPLDZDQUFXHKOM-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1ccnnc1 143410824 XTVNTURADGJKPE-KRWDZBQOSA-N 277.456 4.658 30 10 CJEE CCCCCCC[C@H](N)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 158144046 DHMQMVVUOOKSIW-VJANTYMQSA-N 271.448 4.650 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 162619917 LGXVUXRVQXAZCM-BDAKNGLRSA-N 276.182 4.748 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H](OCC)C1CCCCC1 164783532 PPLSABYYJRCWRV-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CC(C)(Cl)C[C@H](C#N)C12CC3CC(CC(C3)C1)C2 217001920 CALXFPLVVVRPTA-MHCOZEDOSA-N 265.828 4.750 30 10 CJEE C=CCCCCC[C@@H](NN)C1CCC(CCCC)CC1 232927263 HSLFMYUWPVWMKH-DAWZGUTISA-N 280.500 4.951 30 10 CJEE CCCCCCCOCc1ccc([Si](C)(C)C)cc1 232937805 DTVGOIHIVZHTBD-UHFFFAOYSA-N 278.512 4.719 30 10 CJEE CCCCCCCCCCNC[C@@H](CC(C)C)N(C)C 232946531 PCIHAKRPPXJFFP-GOSISDBHSA-N 284.532 4.693 30 10 CJEE CCCCCCCCCC[C@@H]1COCC[C@@H]1NCCC 232955633 IOWRNEVVENNASE-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 236436033 PJCIYEPMRZPZHB-AWEZNQCLSA-N 280.795 4.720 30 10 CJEE C=CCCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1NCCC 250813921 NNOFJFLSJHBURX-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1[C@H](C)NCCC 250828755 PFVBXWCRQFIDEZ-OALUTQOASA-N 296.543 4.980 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)c1cccc(C#N)c1 252424262 GEELFQDOAVXAHC-RGCFKVTRSA-N 284.447 4.670 30 10 CJEE COc1ccc(C=Nc2cccc3ccccc23)c(OC)c1 252598403 CZVRBKYLVFFNLL-UHFFFAOYSA-N 291.350 4.608 30 10 CJEE CC(C)c1ccc(Br)cc1[C@@H](C)CC#N 260905316 RTDLOGPRDPNSFX-JTQLQIEISA-N 266.182 4.590 30 10 CJEE C[C@H]1CCC[C@H](COCCCCC(C)(C)C#N)C1 302421050 UHRLSWDBPHHXCW-GJZGRUSLSA-N 251.414 4.549 30 10 CJEE N#C[C@@]1(C[C@@H]2CCC(F)(F)C2)CCc2ccccc2C1 312130992 QZEMZPXOFTWASS-XJKSGUPXSA-N 275.342 4.511 30 10 CJEE CCCCCCC[C@](C)(CN)N1C[C@@H](CC)CC[C@H]1C 312878645 VCCURJWVMSIAKG-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H](OC)c2ccccc2)C1 317393022 YRFPTTJCRFFNCT-NJAFHUGGSA-N 274.404 4.550 30 10 CJEE CC(C)CNC[C@@]1(CC#CC(C)(C)C)CCC[C@H](C)C1 318611852 BYTISTWAFMRVCY-PKOBYXMFSA-N 277.496 4.868 30 10 CJEE C=C([C@H](NCC)c1ccc(C(C)(C)C)cc1)C(F)(F)F 380590278 LIGLKZGSSUMERK-AWEZNQCLSA-N 285.353 4.753 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(F)cc1Cl 387322825 COLCMSNBMKZIRF-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](CC)N[C@H](CC)c1ccc(Cl)cc1 393785786 UFJRKTKFQRDNSI-LSDHHAIUSA-N 251.801 4.735 30 10 CJEE N#CCCCCCNc1cccc(OCc2ccccc2)c1 395346769 BKUXXPGDXAOZHA-UHFFFAOYSA-N 294.398 4.761 30 10 CJEE N#C[C@H](CNc1cccc(Cl)c1F)C1CCCCC1 397139336 JXSVRJXCHGRZOD-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1csc(C)c1C 399828001 BMBDSKAFMGOMIJ-INIZCTEOSA-N 277.477 4.845 30 10 CJEE C=CC[C@H](CNCC(C)C)CC(F)(F)c1ccccc1 400652651 WIVCCKROUZZPPE-HNNXBMFYSA-N 281.390 4.606 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)Nc1ccccc1Cl 401774286 YGTVQTWGYFQEST-WWGRRREGSA-N 276.811 4.860 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)CC(F)(F)F)NN 402745095 SOWCWDMQGNZDRL-STQMWFEESA-N 282.394 4.548 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCc2ccccc2C1 403375596 KESIJNNCPVCNJM-JZGRTCEGSA-N 265.400 4.512 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@@H](CC(C)C)C1 686683089 FNVCOLXJVJWQQB-DLBZAZTESA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NC)[C@@H]1CCCC[C@H]1C(F)(F)F 686689836 UYHIZAFHPYPZHJ-KFWWJZLASA-N 289.385 4.527 30 10 CJEE CCC(CC)[C@@H](C)/N=C1/NC2(CCCCC2)CCS1 687320576 KALWMOSLQKTGID-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE C=CCC1(NCc2ccc(C)cc2Cl)CCCC1 690754325 KTQLFMSAUKRLIZ-UHFFFAOYSA-N 263.812 4.627 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cccc(C(F)F)c1 692235012 NWWSHPNXVKBWFO-GOEBONIOSA-N 279.374 4.849 30 10 CJEE CC1(C)CCC(C#N)([C@]2(O)CCC23CCCCC3)CC1 694393815 DXKMWZZEAHSQEO-SFHVURJKSA-N 275.436 4.572 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1=CC[C@@H](N)C1 696992728 GMKPRDUXNQVHNJ-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE CCCCCCC[C@@H](Cc1csc(C2CC2)n1)NCC 698868834 MOORGTLNWBRBTM-HNNXBMFYSA-N 294.508 4.902 30 10 CJEE Cc1ccc(CNc2cc(Cl)ccc2Cl)cc1C#N 701829073 DXYAPGNQQCZZJA-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCCC[C@@H](O)C(CC)(CC)CN 702974974 IXJRNCSTGCQDPD-MRXNPFEDSA-N 271.489 4.643 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)[C@@H]1CC2CCC1CC2 704041376 VKNOKRXXGRMXJJ-OTBWCIGPSA-N 263.469 4.783 30 10 CJEE CCCCCCCC1(N)CCC(CSC)CC1 704450082 USEHQSADDSYLJV-UHFFFAOYSA-N 257.487 4.598 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C(CC)(CC)C(F)(F)F 715719376 JILJOBBQOGCOAL-STQMWFEESA-N 279.390 4.936 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2cc(C)ccc2o1 715792268 ASRKKQCVLYQOMS-CXAGYDPISA-N 257.377 4.604 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2C[C@H]3C[C@@H]3C2)CC1 724605382 KPEQRSHODPGRCG-NUJGCVRESA-N 261.453 4.537 30 10 CJEE N#CCc1cc2sccc2c(F)c1SC(F)(F)F 725305325 YVPTUEOWSPEBHH-UHFFFAOYSA-N 291.294 4.718 30 10 CJEE O=C(/C=C\c1ccc(O)cc1)c1cc(Cl)cc(Cl)c1 755705267 OTDRUNQXJIKFMU-UTCJRWHESA-N 293.149 4.595 30 10 CJEE C#CC[C@H](N[C@H](CC)c1cccc(OC)c1)c1ccccc1 773106855 MDFMVJORHVJWAX-UXHICEINSA-N 293.410 4.501 30 10 CJEE C#CCCCCCC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 779869523 PIMFCWLNSUYIRA-LJQANCHMSA-N 297.442 4.551 30 10 CJEE CC(CC1CCC1)=NNc1ccc(C#N)cc1C(F)(F)F 799493174 XZZQECGZEKDLHA-UHFFFAOYSA-N 295.308 4.555 30 10 CJEE CCCCO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821229591 SSVISWBXTIKVPH-HTXNQAPBSA-N 273.420 4.915 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@H]1CCC1CCCC1 1150805653 FBXVNCJJCQRPCN-KRWDZBQOSA-N 277.452 4.550 30 10 CJEE C=CCN(CCc1ccc(Cl)cc1)CC1CCCCC1 1167392622 VIZZNUJGKMRDGA-UHFFFAOYSA-N 291.866 4.951 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cnn([C@@H](C)C2CC2)c1 1181126306 ZYNPRVKMEAUGED-CABCVRRESA-N 275.440 4.791 30 10 CJEE C=CCCCCC[C@@H](C)NCCc1ccc2[nH]ccc2c1 1181154647 RRKLXCUOOZMGHY-MRXNPFEDSA-N 284.447 4.825 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc2ncsc2c1 1193594552 VYTLLMGWIRHVNY-CQSZACIVSA-N 286.444 4.531 30 10 CJEE C#Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1 1204657581 IZCKUAHNPSAVML-IBGZPJMESA-N 295.813 4.658 30 10 CJEE C#Cc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C)c(Cl)c1 1207704938 VKZGPRWWGUHGEN-BFQNTYOBSA-N 261.796 4.558 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1csc(C)c1 1248803220 MLBXGGOWPMVODW-UHFFFAOYSA-N 271.429 4.635 30 10 CJEE 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298.257 4.892 30 10 CJEE CC(C)c1ncccc1C(=O)C1=CCCCCCC1 2342154913 MDJKDYOUIJSYGG-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE C=CCCC[C@H](NCCC)c1cccnc1C(C)C 2342169301 CDCYZROXCBTYMN-INIZCTEOSA-N 260.425 4.602 30 10 CJEE CCC[C@](O)(CCCCC(F)(F)C(F)(F)F)C(F)F 2342289649 IGWFCUPWHMLKEC-VIFPVBQESA-N 298.242 4.541 30 10 CJEE C=CCC(C)(C)[C@H](N)CCCCC(F)(F)C(F)(F)F 2344342391 JWHXDHQMFYJUDO-SNVBAGLBSA-N 287.316 4.674 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccccc1CSC 2344348242 ITJNWPZLNFRAPK-DLBZAZTESA-N 277.477 4.803 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccccc1C1(C)CC1 2344386743 YPOCLGJGNCDIQG-MRXNPFEDSA-N 257.421 4.601 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(F)c1C 2344396317 MZIGDTCRGKVEHR-INIZCTEOSA-N 263.400 4.777 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCC[C@H](CC(C)C)C1 2352197810 LHZJUXQHWHAQQJ-GDBMZVCRSA-N 284.465 4.746 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)C[C@@H](C)C[C@@H](C)C1 2352214594 LKWHGMCMDXFLDJ-VIKVFOODSA-N 282.449 4.520 30 10 CJEE Cc1cc(Cl)c(C(=O)[C@@H](C#N)[C@H]2CC2(C)C)c(Cl)c1 2353048297 QPKCOSDXGGZICK-VHSXEESVSA-N 296.197 4.670 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353059964 WPIBJCDAASHADH-YNEHKIRRSA-N 296.241 4.754 30 10 CJEE C=C(C)CCCNCC1CCC(CC(F)(F)F)CC1 2353121463 IGXJTOVLOIDHFD-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE CN(CCCCCCCCCS)[C@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2355287880 BHATVMINDQDJHZ-ATIWLJMLSA-N 295.536 4.623 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](N)C[C@@H]1C[C@H]1CCC 2357781113 DAGCZQUEMKWPOW-VSZNYVQBSA-N 283.500 4.642 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1C[C@H](N)CC 2360207530 INFQCBRSAUKOAN-CYBMUJFWSA-N 293.451 4.718 30 10 CJEE C=CCC(CC=C)N[C@H]1CCCC[C@H]1c1ccccc1 2360344067 RAVYDUZMPCAINZ-OALUTQOASA-N 269.432 4.823 30 10 CJEE Cc1cc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)cc2)c(C)c1 36930846 OGJSSSCMSABGQD-MRXNPFEDSA-N 297.785 4.755 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(OC)c2)C1 37154712 QUCZHBDDHPADCW-CKEIUWERSA-N 289.444 4.896 30 10 CJEE CCCCCCCSc1ccc(N)cc1Cl 59192891 DDCJRIIKYNEZIJ-UHFFFAOYSA-N 257.830 4.985 30 10 CJEE CCCCCCCCOc1ccc2scnc2c1N 59266810 BNPSBHKJPHALFM-UHFFFAOYSA-N 278.421 4.618 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 59456582 YBLJYCNFCNVRHR-ZDUSSCGKSA-N 264.369 4.756 30 10 CJEE Cc1cc(C)c(/C=N/c2ccc(C)c(C)c2)c(C)c1 59513677 BVGVVOQMYSWSHR-YBFXNURJSA-N 251.373 4.979 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)CCCc2cccs2)cc1C 61681991 UBGNGTYLZRFPPJ-KRWDZBQOSA-N 297.423 4.564 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 71125124 NJZOCNDCVDDMGX-IUODEOHRSA-N 262.784 4.614 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(Br)c1 71276618 FMPXNTBQTRUKPD-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCCN(c1nc2ccccc2cc1C#N)[C@H](C)CC 71389926 YZYXGLVJGHCDBB-CQSZACIVSA-N 281.403 4.511 30 10 CJEE CCCc1ccc2c(c1)c(C(=O)CC#N)cn2CCC(C)C 84865657 AOIZRLBAVPPTQL-UHFFFAOYSA-N 296.414 4.736 30 10 CJEE CC(C)COc1ccc(C2(C#N)CC(C(C)(C)C)C2)cc1 86559273 BTMUXRMBQOHGCY-UHFFFAOYSA-N 285.431 4.939 30 10 CJEE CC(C)(C#N)CCNc1ccc(Oc2ccccc2)cc1 87590879 XBMBLDCTSZZIJQ-UHFFFAOYSA-N 280.371 4.831 30 10 CJEE COc1ccc2cc(/C(C)=N/c3ccccc3)ccc2c1 100411666 XANONNWMZMDIFH-XSFVSMFZSA-N 275.351 4.989 30 10 CJEE CCCCCCCN1C(=O)[C@H](CCC)Nc2ccccc21 106594273 ZODLQNKBGPUZLE-INIZCTEOSA-N 288.435 4.584 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(Cl)cc1 109705422 NCQQSTXHWMLWQH-HNNXBMFYSA-N 253.817 4.874 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 110023369 FSSQLRWGTHNHAN-IXDOHACOSA-N 284.484 4.939 30 10 CJEE CCCc1c(C#N)oc2c(C(C)(C)C)cc(C)cc12 110161986 FXBBEVYKSADSRM-UHFFFAOYSA-N 255.361 4.863 30 10 CJEE CCCCCCCOCc1ccccc1CNCCC 110170241 PCBLPHXNJPMHLS-UHFFFAOYSA-N 277.452 4.673 30 10 CJEE Cc1ccc(C#N)c(Nc2ccc(C)c(Cl)c2)c1 110250818 YCSPYDYYBJDVHO-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#Cc1ccc(Cl)cc1NCCC1=CCCCC1 110254688 QSPAQPRXSBWKPZ-UHFFFAOYSA-N 260.768 4.514 30 10 CJEE C[C@@H]1CCC[C@H](Sc2ccc(Cl)cc2C#N)C1 110354393 XHNSIFJTXXBFCJ-MFKMUULPSA-N 265.809 4.882 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)cc2Cl)c(F)c1 112011618 QOMSNQWJGZWFMT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C#CC(C)(C)NCCCCCCCCCCCC 112195058 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CJEE CCCCCCCCOc1cnccc1CNC(C)(C)C 134998098 YUUMRYCACGAZMU-UHFFFAOYSA-N 292.467 4.709 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnns1 143436718 UVGSJHWHSKSFLG-CQSZACIVSA-N 283.485 4.720 30 10 CJEE CCCCCCCCC[C@@H](N)c1ncccc1CC 157495846 QBTGTYORIHTMJX-MRXNPFEDSA-N 262.441 4.785 30 10 CJEE CCCCCCCCOC[C@H](NCCC)C1CCCC1 157567733 DPSCGWHCKHSJPC-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CCCCO1 159121928 LNEUAYSJTZWZST-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@](O)(CC)c1ccc(F)cn1 162470787 NPTKIKGWVCHPJY-KRWDZBQOSA-N 281.415 4.959 30 10 CJEE CCc1cccc(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164495602 RRAYIYATGKHVQA-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE CCCCCCCC(=O)Cc1ccc(CC)s1 164885637 AOUXJMAHNDRBPC-UHFFFAOYSA-N 252.423 4.783 30 10 CJEE C=CCCC[C@H](NC)c1cc2c(s1)CCCCC2 167732640 WEQZGIFELJNDSH-AWEZNQCLSA-N 263.450 4.634 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CCC)CC1CC1 219685141 VOXZBWWZUXYHRA-SFHVURJKSA-N 282.516 4.576 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 233935910 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GDUBCTHELHQZAP-ZWKOTPCHSA-N 265.356 4.538 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cn(CC)cn1 312548871 QELIDCSVPANHNR-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CCCCCCC[C@@]1(C=O)CCCc2ccccc21 316863755 YHKLHQAVCLIBMX-SFHVURJKSA-N 258.405 4.820 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CC1 317950281 YZBKMEGDCKVOEU-OWCLPIDISA-N 278.436 4.510 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(C)nc(Cl)c2)C1 321302745 MCWYZSVLWJMEBQ-BBRMVZONSA-N 276.811 4.696 30 10 CJEE C[C@]1(CC#N)CC[C@](C)(c2ccc(Cl)cc2Cl)O1 381255793 NUSQLPDSVGUMOE-ZIAGYGMSSA-N 284.186 4.691 30 10 CJEE CC(C)[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@H]2C)CC1 384756680 PHYFVXWRLMMGJF-BRSBDYLESA-N 277.452 4.674 30 10 CJEE C[C@@H](C1CC1)N(CC[C@@H](C)CCS)Cc1ccccc1 385858097 IMCADPLJLRLHBU-CVEARBPZSA-N 291.504 4.633 30 10 CJEE C=CCC[C@H](N)c1cc(C)c(OCc2ccccc2)c(C)c1 396426134 AONYZVAIOKEMFS-IBGZPJMESA-N 295.426 4.848 30 10 CJEE N#C[C@]1(C[C@H]2CC=CCC2)CCCc2ccccc21 402135859 IXLBPZBQQYKVOU-MAUKXSAKSA-N 251.373 4.531 30 10 CJEE CCc1cc(C(F)(F)F)c(OC(F)F)cc1C(F)F 575653565 HBLBVRCDOPCDRI-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CCCCC(=NNc1ccccc1)c1ccccc1 606514327 HUBHUQZOXDBDQO-UHFFFAOYSA-N 252.361 4.693 30 10 CJEE C=C(C)C[C@@H](C)c1nc(Cc2c(C)[nH]c3ccccc23)no1 685286031 DJKYQBZTCIKTLI-GFCCVEGCSA-N 295.386 4.520 30 10 CJEE C#CCCCCCOc1cc(Cl)ccc1Cl 686686487 KYCWDHRGUXPDPF-UHFFFAOYSA-N 257.160 4.566 30 10 CJEE C#CCCCCCC(=O)c1ccc2sccc2c1 686697738 QSTCTOPYDHBHLR-UHFFFAOYSA-N 256.370 4.668 30 10 CJEE CC(C)(C[C@@](C)(C=O)c1ccccc1)c1ccccc1 686735203 PENMMXGDYMJDKF-IBGZPJMESA-N 266.384 4.511 30 10 CJEE CCCC1(CNc2ccc(C#N)cc2C(F)(F)F)CC1 687546433 PNULMMDBXTXINY-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C[C@H]1CCCCC[C@H]1Nc1cc(C#N)ccc1Cl 691041621 SVXMHTNMWYRHBI-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1C(F)(F)F 692235441 SIAIDGHPKXDHRL-APIJFGDWSA-N 289.385 4.832 30 10 CJEE CC[C@H](C)c1ccc(O[C@@H](C)CC(C)(C)C#N)cc1 695810441 DRDZHCYRIKHOGF-KBPBESRZSA-N 259.393 4.907 30 10 CJEE CCCCCCCCC[C@@H](O)CC[C@@H](CC)CCN 696158643 JSGVMICNVGXTAH-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1csc(C)c1 704005218 GKRXPRGFCQPKPZ-CYBMUJFWSA-N 251.439 4.700 30 10 CJEE CCSc1cccc(NC[C@@H]2CCCC23CC3)c1C#N 706204031 WIYHLMYSBKDIEG-ZDUSSCGKSA-N 286.444 4.662 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@]1(C)CC[C@H](C)C1(C)C 710674101 FXDSOYHVIDZCMM-NOLJZWGESA-N 271.876 4.960 30 10 CJEE C=CCC(C)(C)CNC[C@@H]1CCC[C@H](C(F)(F)F)C1 713040564 WDYOMNLDJVDVON-OLZOCXBDSA-N 277.374 4.547 30 10 CJEE C=CC[C@@H](C)Nc1ccc(OCc2ccccc2)cc1C 715004001 FODZROIZVYWUSV-MRXNPFEDSA-N 281.399 4.951 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(Cl)c1C 715703247 GGMKANNXTMBOKG-IAQYHMDHSA-N 251.801 4.511 30 10 CJEE C=CC[C@@H](C)Sc1cccc([C@@H](C)NCCC)c1 715755208 IDZOSWJXYXDFON-ZIAGYGMSSA-N 263.450 4.804 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC[C@H]2C[C@@H]12 716891369 BZUCTTMEHSNCDV-QAETUUGQSA-N 251.458 4.891 30 10 CJEE C=CCCC(C)(C)Nc1cc(C)c(C(F)(F)F)cc1N 717638908 ZYZYLOARSCVCHB-UHFFFAOYSA-N 286.341 4.753 30 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289.444 4.709 30 10 CJEE C=C(C)c1cccc(N[C@@H](C)[C@H]2COc3ccccc3C2)c1 1207741442 HCPUOHYSHHZYTD-MAUKXSAKSA-N 293.410 4.771 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(C3CC3)c(C)c2)C1 1216749074 JVLZPJXOUOBBGD-OAHLLOKOSA-N 298.430 4.692 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccccc1-c1ccccc1C 1270622480 MLIMBZDEIOBPQN-MRXNPFEDSA-N 293.410 4.747 30 10 CJEE C#CCCCCC(=O)Oc1cc(C)c(C(C)(C)C)cc1C 1287982575 IETXCARYYGBFBU-UHFFFAOYSA-N 286.415 4.700 30 10 CJEE C=C(CC(C)C)C(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 1297682106 CEUXJXNCTVXABO-QAPCUYQASA-N 285.431 4.589 30 10 CJEE C=CCCCCCN1C[C@@H](c2ccccc2)C[C@H]1C 1307468518 AATNVJULALITEG-AEFFLSMTSA-N 257.421 4.611 30 10 CJEE C=CCC[C@@H](NC[C@@H](CC)CC(F)F)c1ccccc1 1307626762 NCADQCKSKACRMS-GOEBONIOSA-N 281.390 4.965 30 10 CJEE C#Cc1ccc(CN(CCCC)[C@@H](C)CCCC)cc1 1308780388 XZQYLIOVARAGLQ-KRWDZBQOSA-N 271.448 4.849 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCCc1ccc(F)cc1Cl 1308859662 MHQMVEPLIILXMS-RHSMWYFYSA-N 295.829 4.746 30 10 CJEE C=CCC[C@H](C(=O)NCCCC1CCCC1)c1ccccc1 1348371453 NNHYRLYVQZWBCY-IBGZPJMESA-N 299.458 4.823 30 10 CJEE C#Cc1cccc(NC(=O)[C@H](CC)CC2CCCCC2)c1 1354575161 DIZVNVAFGBGERD-QGZVFWFLSA-N 283.415 4.603 30 10 CJEE C=CC(C)(C)CC(=O)Nc1ccc(-c2ccco2)cc1F 1436054603 UHNCDRWUODRAGM-UHFFFAOYSA-N 287.334 4.627 30 10 CJEE C#Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 1440489403 POROINIAAPZOTH-UHFFFAOYSA-N 297.357 4.587 30 10 CJEE C=CC[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)[nH]1 1459292702 SPEQYUGGMAECQJ-SNVBAGLBSA-N 278.808 4.787 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)CCc1ccccc1 1459348841 QKOMLFXKCGXHOD-KRWDZBQOSA-N 297.417 4.835 30 10 CJEE CCCCCCCCCN(C)[C@H]1CC[C@H](SC)C1 1459599845 XNTCPJWWPDAJTA-HOTGVXAUSA-N 271.514 4.953 30 10 CJEE C#CCCCCCCOc1ccc(Cl)cc1C(=O)CC 1472920115 DXDJCEQFRCISLH-UHFFFAOYSA-N 292.806 4.895 30 10 CJEE C=CCC[C@@H](CC)NCCCc1cccc(Cl)c1 1474487872 VXURMSIUZQVISO-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE C=CCC(CC=C)C(=O)N(CCC)c1ccc(CC)cc1 1526398395 KQDBLIWWLWEZNS-UHFFFAOYSA-N 285.431 4.760 30 10 CJEE C=CCCCC(=O)O[C@@H](CC(C)C)c1ccccc1OC 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C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2c1 1617458391 INRCBOKDNYXOFQ-LPHOPBHVSA-N 293.410 4.705 30 10 CJEE C=CC[C@H]1CCN(Cc2ccc(C3CCCC3)cc2)C1 1620451501 DMVJAPXWKRYYFM-INIZCTEOSA-N 269.432 4.742 30 10 CJEE C=C[C@@H](C(=O)NC[C@H](CCC)CCCC)c1ccccc1 1622298648 NPMYWSYIQGGCKX-SJLPKXTDSA-N 287.447 4.679 30 10 CJEE C=CCCCCCOc1c(F)c(F)c(F)c(F)c1F 1641051923 KSJSMIKWCPYNCG-UHFFFAOYSA-N 280.236 4.507 30 10 CJEE C#CCCCCCCN1CC[C@H]([C@@H]2CCCC2(C)C)C1 1643549600 DIZASQPPWCUHIB-ROUUACIJSA-N 275.480 4.718 30 10 CJEE C=CCN(Cc1cc(C(C)C)ccc1OC)C(C)(C)C 1647788380 XVXWOAYBSKZJAA-UHFFFAOYSA-N 275.436 4.605 30 10 CJEE C#CCCCCCCN(CC#C)[C@@H]1CCCc2ccccc21 1648424056 NDBHSXFSZOZUIZ-OAQYLSRUSA-N 293.454 4.583 30 10 CJEE C=CCCN(CCC1CCCC1)OCc1ccccc1 1653339653 DSQPEPFHXGAWDI-UHFFFAOYSA-N 273.420 4.577 30 10 CJEE C=CCCCCCNC1(c2cccc(C)c2)CCC1 1654005835 LVUQUCKGRRQPEK-UHFFFAOYSA-N 257.421 4.710 30 10 CJEE Cc1ccc(C)c(S[C@H](C#N)CCc2ccccc2)c1 1656064396 CMQPRCUNLJOFPE-KRWDZBQOSA-N 281.424 4.921 30 10 CJEE C=CCCCCCCNCc1ccnc(Cl)c1Cl 1656229561 OMJJIYNWUKKOGB-UHFFFAOYSA-N 287.234 4.615 30 10 CJEE C=C1CCC(CNC[C@@H](CC)c2ccccc2)CC1 1657955056 RRJASNJCFPMDRP-QGZVFWFLSA-N 257.421 4.516 30 10 CJEE CCCCCCCCCCN1CCO[C@@](C)(CC)C1 1658283782 KHXWNIMBWBHUDM-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C#CCCN(C)[C@H](c1ccc(Cl)cc1)C(CC)CC 1658492672 OCBNAOZNXMSYIE-KRWDZBQOSA-N 277.839 4.772 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1 1658756712 IACQCHSMWBGOIA-JXXFODFXSA-N 283.459 4.961 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](CC)c1ccccc1OC 1665502630 VBCRZSUANNKGQH-NVXWUHKLSA-N 275.436 4.871 30 10 CJEE C=CCCC1(CNC(=O)Nc2cccc(C)c2)CCCC1 1667055379 IPXKHIHCVIRSOH-UHFFFAOYSA-N 286.419 4.643 30 10 CJEE C=CCCCCCCCNC(=O)NCC1(C)CCCCC1 1681692265 SZOAFEYTPPGABW-UHFFFAOYSA-N 294.483 4.783 30 10 CJEE CCCO/N=C(\C)c1ccc(-c2ccccc2)cc1 1857936227 BCSBPKAUXYTFCQ-NBVRZTHBSA-N 253.345 4.504 30 10 CJEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nc2ccccc21 1873521981 BWCSBQFWOWPLIM-UHFFFAOYSA-N 287.366 4.761 30 10 CJEE C=CCCCCC[C@@H](NN)[C@H]1CC[C@H](CCC)CC1 1878051031 RFYDRHMWIHMVIS-BRWVUGGUSA-N 266.473 4.561 30 10 CJEE C=CCCN(Cc1ccccc1)CC1(CC)CCC1 1881131023 RJJFGCYZGPKKNI-UHFFFAOYSA-N 257.421 4.645 30 10 CJEE C=CC1CCN(Cc2sc3ccccc3c2Cl)CC1 1884115946 ACGXDVRCGOHCIL-UHFFFAOYSA-N 291.847 4.953 30 10 CJEE C=C1CCC(CN2CCC[C@H]2C2CCCCC2)CC1 1884400019 SOUHDDCUHOBYKN-SFHVURJKSA-N 261.453 4.778 30 10 CJEE CC#CCCCC[C@]1(CNC(C)(C)C)CC=CCC1 1885236083 IZQZOQWBJUPPPO-SFHVURJKSA-N 261.453 4.685 30 10 CJEE C#CC[C@H](C)C[C@@H](Cc1c(Cl)cccc1Cl)NCC 1887463319 FTNCNWCBWKPQLC-STQMWFEESA-N 298.257 4.564 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)C1(CCC)CC1 1888688871 LFCJIIJYFSTPSD-KRWDZBQOSA-N 257.421 4.648 30 10 CJEE C=C(C(=O)c1cccc(C(F)F)c1)c1ccccc1 1888720184 ZRSIXEJKFAFHPO-UHFFFAOYSA-N 258.267 4.520 30 10 CJEE C=C(C)CC[C@H](C)N[C@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 1890255248 GOIOSYUAKOFISD-RMLHLFRRSA-N 261.453 4.536 30 10 CJEE C=CCC(C)(C)C(=O)c1cc2sccc2s1 1903169345 SCLXFJDYLCFFKD-UHFFFAOYSA-N 250.388 4.748 30 10 CJEE 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261.796 4.993 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1coc2ccccc12 312212707 QRQNGRJXKBGMPP-INIZCTEOSA-N 269.388 4.523 30 10 CJEE C[C@H]([C@H](O)C1(C#N)CCC(C(C)(C)C)CC1)C(C)(C)C 312837598 KICGVIFPLSHGEA-GBRKPNRJSA-N 279.468 4.776 30 10 CJEE CC(C)[C@H](Nc1cccc(CC#N)c1)c1cccs1 313414122 XJIOSZCHYSWESX-INIZCTEOSA-N 270.401 4.623 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CCC(F)(F)C2)CC1 317249129 OMUSSKQONYSLMM-SLTAFYQDSA-N 272.379 4.988 30 10 CJEE C=CCC[C@H](C)NCc1cccc(OCc2ccccc2)c1 381792222 MDRRAUPHYHKCQS-KRWDZBQOSA-N 295.426 4.710 30 10 CJEE C=CC(C)(C)CN[C@H](C)c1ccc(OCC(C)C)cc1 384878090 SVMXWPUORLMUTD-OAHLLOKOSA-N 275.436 4.584 30 10 CJEE C=CCCCCC[C@H](COCc1ccccc1)NCCC 395549435 YFRKPPGRAJFIKP-LJQANCHMSA-N 289.463 4.708 30 10 CJEE C=C(C)CCSCc1cc(-c2ccccc2)no1 507096859 AYPICHSUDGCVOG-UHFFFAOYSA-N 259.374 4.541 30 10 CJEE N#Cc1cccc(F)c1-c1cc(Cl)ccc1Cl 514261164 UVMBKTQKAIXKOF-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CC(C)(C)N1c2ccccc2CC[C@H]1c1ccccc1C#N 616592953 JOGZFAJTMRJAGG-IBGZPJMESA-N 290.410 4.851 30 10 CJEE C#CCCCCCC(=O)c1cccc(C(F)(F)F)c1F 686696992 FSHVLHRJXMQGNK-UHFFFAOYSA-N 286.268 4.611 30 10 CJEE CC[C@H](C)[C@@](C)(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316531 UMVJFZQCRFMBEJ-XJKSGUPXSA-N 265.441 4.530 30 10 CJEE CCCCCCCCC[C@H](NCCC)[C@@H]1C[C@H]1OC 689912831 AVYGQJGMBUZHNE-YESZJQIVSA-N 269.473 4.530 30 10 CJEE CCC(F)(F)C(C)(C)C[C@@]1(C=O)CCc2ccccc21 691808696 VHQBDOLYZIGVNB-MRXNPFEDSA-N 280.358 4.531 30 10 CJEE CCCC[C@](CC)(C(=O)O)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 691849617 VIFFFFHNDHTYQC-ANQUJSFKSA-N 279.424 4.624 30 10 CJEE CC1(C)OB(/C=C\c2cc3cscc3s2)OC1(C)C 693909289 XXGKNXSMBOZHIF-WAYWQWQTSA-N 292.234 4.607 30 10 CJEE C=CCCC[C@H](NCC)c1ccsc1Br 698678214 VETXFTSKUKNPGR-NSHDSACASA-N 288.254 4.518 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)C(CC)(CC)CC 698967991 LRKCALVEGGSQKJ-CQSZACIVSA-N 296.455 4.742 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 700024908 SWRDNLQTBAVXRO-KFWWJZLASA-N 273.445 4.813 30 10 CJEE CCC[C@@H]1CCCCN([C@H](CC#N)c2ccccc2)C1 703256062 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C=CCC1(C(=O)NCc2ccccc2CC(C)C)CCCC1 1529715150 LKNYUPVCPMFTSW-UHFFFAOYSA-N 299.458 4.638 30 10 CJEE C=CCCCCNC(=O)C/C=C/c1ccc(C(C)C)cc1 1530006207 ZMPBTLMXULZXCA-CMDGGOBGSA-N 285.431 4.686 30 10 CJEE C=CCCC1(CNC(=O)C[C@@H]2CCCC[C@H]2C)CCCC1 1532340916 WAKDPYKDDHCDOQ-SJORKVTESA-N 291.479 4.846 30 10 CJEE C=CCC[C@H](NC(=O)c1ccc(C=C)cc1)c1ccccc1 1534343800 GFCUZYKRFPUCOQ-IBGZPJMESA-N 291.394 4.767 30 10 CJEE C=C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1CC)c1ccccc1 1534875695 QOPBZBMMBJWFPY-ZHALLVOQSA-N 299.458 4.774 30 10 CJEE Fc1cccc(C#Cc2cc(C(F)(F)F)ccc2Cl)c1 1614826650 IQBNMLCQZYDXAB-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE C=CCCCCCN(CC)[C@@H](C)Cc1ccsc1 1617428846 IGQGGDJSOABJRI-HNNXBMFYSA-N 265.466 4.747 30 10 CJEE C=C[C@H](C)NCc1ccc(-c2cc(C)cc(C)c2)cc1 1620857991 GEBBTGSPPQPKKY-INIZCTEOSA-N 265.400 4.635 30 10 CJEE C=CCC(C)(C)CNc1nc(C2CCCCC2)ns1 1639956674 HPZDSEWDSIFLRG-UHFFFAOYSA-N 279.453 4.600 30 10 CJEE C=C(C)CCN1CCc2cc(Cl)c(Cl)cc2[C@@H]1C 1645020438 FTHKKHXUOANPBY-NSHDSACASA-N 284.230 4.879 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](CC(C)C)C1)c1ccc(F)cc1 1652535111 DTGWLAGVVKXTDE-IPELMVKDSA-N 287.422 4.695 30 10 CJEE C=CCCCCCN1CC[C@H]1c1ccc(Cl)cc1 1653582177 UQONXVBHYWDKOG-INIZCTEOSA-N 263.812 4.833 30 10 CJEE C=CC[C@@H](NCc1ccc(CC(C)C)cc1)c1ccncc1 1656516852 SQSCZLZAKJAZNU-HXUWFJFHSA-N 294.442 4.687 30 10 CJEE C=CCCCCCN1CCC(COc2ccccc2)CC1 1657065733 OVUHQTPZIFMZFH-UHFFFAOYSA-N 287.447 4.524 30 10 CJEE C#C[C@H](N[C@@H](C)CCC1CCCC1)c1ccc(Cl)cc1 1659354987 HUWHYSLUABHKCZ-KSSFIOAISA-N 289.850 4.963 30 10 CJEE C#C[C@H](N[C@@H](C)CCCC(C)C)c1ccc(Cl)cc1F 1659762672 MIMLMRCPEIZCPZ-GUYCJALGSA-N 295.829 4.958 30 10 CJEE C=CC[C@H]1CC[C@@H](NCCOc2ccccc2C(C)C)C1 1661477684 BNBVADDXFXXWOW-DLBZAZTESA-N 287.447 4.523 30 10 CJEE C=CCN(Cc1cc2ccccc2n1C)CC1CCCCC1 1663980539 WIIJWZBIWUSLQN-UHFFFAOYSA-N 296.458 4.747 30 10 CJEE C=CC(C)(C)CCNC(=O)NC1CCC(CC)(CC)CC1 1682211049 IOLQXDZBOUXOLD-UHFFFAOYSA-N 294.483 4.637 30 10 CJEE CC(C)(C)c1csc(SCc2ccc(C#N)cc2)n1 1860807110 GXCBLTIDCARMMG-UHFFFAOYSA-N 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CJEE C=C(C)CCCC[C@@H](NCC)[C@@H]1[C@H]2CCCCC[C@H]21 2271789675 BCHLIFYUTSERDK-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cncc(Cl)c1 2271791999 QTRQMRLUCDVMAR-INIZCTEOSA-N 280.843 4.912 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(C)c(C)s1 2273976906 OUVSRQOLHLASDP-INIZCTEOSA-N 275.461 4.599 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C1(CCC)CC1 2274069655 AGDNDPMRHMSTJA-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CC(C)[C@H]1CCC[C@](O)(CC#CC2CCCC2)CC1 2274180435 HYAYFJFHILXKSS-ZWKOTPCHSA-N 262.437 4.538 30 10 CJEE CC(C)(C)CC1CC(C(=O)C=Cc2ccccc2)C1 2274209981 NDLGAXSXBAUSMZ-UHFFFAOYSA-N 256.389 4.731 30 10 CJEE C=CCCCCC[C@@](C)(CCCCC)OCC(=O)O 2275326287 GNDKPTXKAGXPFN-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)C(C)(CC)CC 2275743081 MQUMYMOSEYKCPF-AWEZNQCLSA-N 272.429 4.643 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C1=CCCC1 2276286413 MBMPQLIOFIWKDR-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE C=CCC[C@H](C)[C@@H](CCCCCCCC)OCCN 2276393235 TZZWOCXYRHFGJK-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC(C)=C1C 2276758645 LOHBLOVYVCPRQS-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H](C)CC)OCCN 2276826395 LIGGMKLVDTXXFK-SJORKVTESA-N 269.473 4.683 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 2277803220 GBCPYGGWOYQHEP-JKIFEVAISA-N 251.373 4.620 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1CCCOC1 2278177153 UFWWBYFQGXOPMJ-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE C=CCCCCCCN=c1ccc2cccc(C)c2[nH]1 2279589903 BSHFPHASDSCTHT-UHFFFAOYSA-N 268.404 4.514 30 10 CJEE O=C(CC#CC1CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)C1 2279668720 PZSCRABXQVEWNC-UONOGXRCSA-N 286.337 4.508 30 10 CJEE CO[C@@H]1C[C@](C#N)(CC[C@H]2CCC[C@H](C)C2)C12CCC2 2279821262 PEZRISAOYNSKHD-HZMVEIRTSA-N 275.436 4.692 30 10 CJEE Cc1cc(NCC2(C(C)(C)C)CCC2)cc(C)c1C#N 2280581583 FCPCZJYOMAXAIO-UHFFFAOYSA-N 270.420 4.803 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C(C)=NO)c(C)c1 2283257615 IJHAPLJBTJLDOZ-WMLDXEAASA-N 275.392 4.541 30 10 CJEE C=CCCCCCCCS[C@H](c1ccncc1)[C@H](C)N 2287090666 RPZGDOUSMUXGNX-RDJZCZTQSA-N 292.492 4.730 30 10 CJEE C=CCCCCCCC[S@@](=O)[C@@H](C)c1ccc(N)cc1 2287184242 JODMSTKZOFMFLL-MGPUTAFESA-N 293.476 4.605 30 10 CJEE C=CCCCCCCCN(CCC(C)(C)C)C[C@H](C)O 2288051746 GOSVXDRLICNAIA-KRWDZBQOSA-N 283.500 4.632 30 10 CJEE CCCCCCCCCC1(OCC(=O)O)CC2(CC2)C1 2290578608 PCWMVJRPLBCQKI-UHFFFAOYSA-N 282.424 4.541 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@]1(C)CC=CCC1 2290900738 RRROOJJQBMWNIC-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CC1CC(C)C1)OCC(=O)O 2291167515 NTKCVJNIIZRJDY-VMBOVVBDSA-N 284.440 4.643 30 10 CJEE C=CCCCCC[C@@](C)(OCCC(=O)O)C1(C)CCC1 2291450120 QLQUTGCJDNBJOZ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCC[C@](CC)(OCCC(=O)O)c1cccs1 2291467601 NRKFZALXTCPQLH-INIZCTEOSA-N 296.432 4.591 30 10 CJEE C=CCCCC[C@](CC)(OCCC(=O)O)C1CCCC1 2291477990 USZXDZPHXFIPEW-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](CC)(CCCCC)OCC(=O)O 2291745949 VUZVBGUBIBUZKC-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1ccc(CC)s1 2292714294 QRMIWXDFQKYHAB-AWEZNQCLSA-N 296.432 4.589 30 10 CJEE C=C(C)CCCC[C@H](OCCC(=O)O)[C@@H](C)CC(C)C 2292723170 SPQGYAUCTRAVBW-HOTGVXAUSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@@]1(OCCCN)CCCC[C@H]1CC 2292889500 AREWPQNFVJJOLT-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE C=C(CC)C[C@]1(OCCN)CCC[C@H](C(C)(C)C)CC1 2293050417 YGGQHOPFYBHEIM-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@](CCC)(OCCCN)C1CCCC1 2293691505 OHQBKUFIWSQDLF-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCCCCC[C@@](OCCCN)(C(C)C)C(F)F 2294018561 OUKQMRYDZNSWKT-MRXNPFEDSA-N 291.426 4.538 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCC1CCC1 2295675710 DTDCMGQTXYBOJE-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@H]2COC[C@@H]2C1 2295676761 OCCLTDRPSQARFN-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1nnc(C)s1 2295676840 OTZUSTZIYVNKOK-AWEZNQCLSA-N 297.512 4.508 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CCC1CC1)NC 2295685449 XRHSBSGGWLOXRZ-QZTJIDSGSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](NC)C1CC(C)C1 2295685596 YXEZLDYTGARKLH-FOIPXRHGSA-N 283.500 4.512 30 10 CJEE Cc1ccc(C=C2CCCc3ccccc3C2=O)cc1 2297562864 LDCMXYLIKNLZEF-UHFFFAOYSA-N 262.352 4.598 30 10 CJEE Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1C 2297735141 OHUKYTKMVJBLAB-UHFFFAOYSA-N 285.774 4.765 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(C)csc1C 2304032071 FGTQBRIBDSYUDS-GJZGRUSLSA-N 251.439 4.618 30 10 CJEE O=C1C=C(c2cc(F)c(Cl)c(Cl)c2)CCCC1 2307301374 GDPMGAYWCMQBQD-UHFFFAOYSA-N 273.134 4.659 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1[C@@H](C)C1(F)F 2308366279 NCCVUQDRKJOWKY-MCIONIFRSA-N 261.400 4.746 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1CF 2310935932 MGEUOGZLMVZXHB-ARFHVFGLSA-N 257.437 4.711 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1C[C@H]1C(C)(F)F 2312409697 AYXIKPUHNJQREY-MGPQQGTHSA-N 259.384 4.522 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1CC[C@@H]2C[C@@H]2C1 2312410440 WWBSKWMABKSDRZ-YYIAUSFCSA-N 250.426 4.700 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2CCC[C@@H]21 2312623480 XMDCJHFHCYDAAX-QAETUUGQSA-N 251.458 4.904 30 10 CJEE C=CCC(CC=C)Sc1ncnc(Cl)c1C(C)C 2313626583 JUZLJXATIIYUAS-UHFFFAOYSA-N 282.840 4.866 30 10 CJEE C=C(C)C[C@H](NCCC)c1c(F)ccc(C)c1Cl 2313997034 IZHFMCYINLTXEA-ZDUSSCGKSA-N 269.791 4.794 30 10 CJEE CCCC[C@@](C)(C=O)Cc1ccc(F)c(C)c1Cl 2317086230 QBZHGVGHZWHSFN-OAHLLOKOSA-N 270.775 4.725 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC(C)(C)[C@H]1C 2318186041 YIPSUIGHLYIWSH-GXTWGEPZSA-N 261.434 4.811 30 10 CJEE C=CCCCCCCCN[C@@H]1CC[C@H]1C(C)(C)C 2320133235 BGRAGBWSBXAHDY-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CCC1(C)C)NCCC 2321100412 AZYJSYVSDMOQIL-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Cl)cc1F 2321132674 AEHDDLXWAWVFIZ-CABCVRRESA-N 269.791 4.732 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@](C)(CC)C(F)F 2336606205 MBKMZJIWSHOMLL-ZBFHGGJFSA-N 273.411 4.620 30 10 CJEE C=CCC(CC=C)[C@H](N)c1cc2ccc(F)cc2s1 2338738100 KAZSSIAPYHATHT-INIZCTEOSA-N 275.392 4.809 30 10 CJEE C=CCCCCCCCCOCC(=O)[C@H]1CC1(C)C 2340908113 QIXMWQFWHXFUHA-OAHLLOKOSA-N 266.425 4.535 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCCC[C@@H]2C[C@@H]21 2341972039 QFPPMEULVOBIQN-QLFBSQMISA-N 273.445 4.955 30 10 CJEE C=CC[C@H](C)[C@@H](O)[C@@H](c1ccccc1)C1CCCC1 2342370199 JPBAKDLMJDETMP-JCGIZDLHSA-N 258.405 4.534 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(C#N)c(Cl)c1 2343116661 GTBNIPPJLMVRFI-GXTWGEPZSA-N 276.811 4.696 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC#CC1CCCC1)NCC 2344335645 BFSXCLGJOQMCKA-MSOLQXFVSA-N 261.453 4.541 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1c(F)cc(C)cc1F 2344340219 PNQLHYVQFOFKLD-OAHLLOKOSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NC 2344340355 QTQPSAJLLQALLY-MWDXBVQZSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(C2CC2)c1 2344347614 CRDBLMLGXLJQNT-ROUUACIJSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(CC)cc1 2344376430 GIYNOIMRSNNWQU-MSOLQXFVSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(C(F)F)cc1 2344383405 SBDNPYOGCGATPE-HOCLYGCPSA-N 267.363 4.877 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@@H]1C[C@@H]1c1ccccc1 2344418744 CSSQRPIWVBMYIT-JZXOWHBKSA-N 256.389 4.742 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)CC1CC2(C1)CC(C)(C)C2 2344463132 PKRNKJHJAZDDAW-WBVHZDCISA-N 264.453 4.946 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCCCC[C@@H]1C(C)C 2352223504 RLOQITUUSROFGK-LZWOXQAQSA-N 284.465 4.744 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@H]1CCC12CCCC2 2352318479 RPAMQRGYDWQIEM-GOEBONIOSA-N 283.525 4.623 30 10 CJEE C=CCCCCCCCCN[C@H]1CC[C@@H]2[C@H](C1)C2(F)F 2358322813 WVGPETOSQCKKAZ-XHSDSOJGSA-N 285.422 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@@H](CCC)CC[C@H]1C(=O)O 2360198347 HJYDHAFXEHACOJ-NUEKZKHPSA-N 296.476 4.910 30 10 CJEE O=C(/C=C\Sc1ccc(Cl)cc1)c1ccc(F)cc1 12339486 HQHXSVFDCKSTBU-KTKRTIGZSA-N 292.762 4.968 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc(F)cc1Cl 37203233 DNAKBOCYOLSUKD-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCOCCCC(=O)c1ccc(F)cc1 59517954 JZNSEFORLZHELV-UHFFFAOYSA-N 280.383 4.776 30 10 CJEE CCc1oc(-c2ccc(OC)c(C(C)C)c2)cc1CC#N 77077544 DZTYYTOHPONEDM-UHFFFAOYSA-N 283.371 4.707 30 10 CJEE Cc1ccc([C@](C)(O)C2(C#N)CCC(C(C)C)CC2)cc1 91877462 HKVBFSKWZBVHDS-AVAKVYKDSA-N 285.431 4.559 30 10 CJEE CCCCCCCNC[C@H](CC)Oc1cccc(C)c1 100027275 CDOZCZLPCOUPGV-KRWDZBQOSA-N 277.452 4.712 30 10 CJEE C=CC[C@@H](C)c1ccc(CC)c(Br)c1 107478264 APVASTJBYZJLOQ-SNVBAGLBSA-N 253.183 4.691 30 10 CJEE CCCCCCCCC[C@@H](Cc1cccnc1)NCC 109740713 DTKZBGJKFCHETN-SFHVURJKSA-N 276.468 4.743 30 10 CJEE CCCCCCCCN[C@H](C)Cc1ccsc1 109930312 ZQNDCJIGHPYQOA-CQSZACIVSA-N 253.455 4.629 30 10 CJEE C=C(C)CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 110456109 VQOILLUMAWTQBT-OAHLLOKOSA-N 283.337 4.809 30 10 CJEE CCCCCCC[C@H](O)c1cc(Br)cs1 112459242 IMPMAQXGOLYPRL-NSHDSACASA-N 291.254 4.905 30 10 CJEE CCCCCCCCCCCCCCN[C@H](C)CN 113846919 AJHWQBMRAFDEOI-QGZVFWFLSA-N 270.505 4.624 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](C)c1ccncc1 117684575 MVBGDBHKLJIFRN-FUHWJXTLSA-N 276.468 4.914 30 10 CJEE CCCCCCCCC[C@@H](NN)C1(CC)CCCC1 122234991 ZAHSLPVNPIUPIU-MRXNPFEDSA-N 268.489 4.929 30 10 CJEE CCCCCCC[C@@H](NN)c1oc2ccc(F)cc2c1C 122270251 BSZQNAURQAMVKP-OAHLLOKOSA-N 292.398 4.745 30 10 CJEE CCCCCCCCC[C@]1(O)CC(C)(C)OC1(C)C 123614762 CLDVCXTVKWPPGH-KRWDZBQOSA-N 270.457 4.836 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@](C)(CC)OCC 159870905 DWEUMSVSERXYFB-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1CCCS1 160924515 NXBOYEHEBBKVSA-HUUCEWRRSA-N 257.487 4.740 30 10 CJEE N#C[C@H](C(=O)CC1CCCCCC1)c1cc(F)cc(F)c1 162028229 BCCKFPXTJDIKSC-INIZCTEOSA-N 291.341 4.502 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 167816923 WBQQRQMTKHFRFY-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@](C)(N)C1CC1 167848869 PDPTUTYXCPMQCD-SFHVURJKSA-N 281.484 4.994 30 10 CJEE C(=N/c1ccccc1)\c1ccccc1N1CCCCCC1 195977926 CCRRKVWCGFGWFZ-CAPFRKAQSA-N 278.399 4.818 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(F)c(Cl)c2)C1 220673827 GFFMWIJWEHGZCW-RLCCDNCMSA-N 295.785 4.623 30 10 CJEE CCCCCCCCNc1ncnc2c(C)csc12 222313324 VREQKWRXMYRPDO-UHFFFAOYSA-N 277.437 4.772 30 10 CJEE C=CCC[C@H]1C[C@@H](CCC)CC[C@H]1CNCCC 227526188 DTHNAUYWXUXRMG-ULQDDVLXSA-N 251.458 4.785 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1cc(F)cc(C#N)c1 227635217 ANAZZPZCCBFAEJ-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCCCCCC[C@H](CCCC(F)(F)F)NC 229036946 OTBOZCIBCFHAFD-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cc(C)c(C)s1 229752635 ZXWOORWLNUGNDU-AWEZNQCLSA-N 251.439 4.762 30 10 CJEE CC[C@@H](C)c1ccc(Oc2nccc(C)c2C#N)cc1 232342056 KAGXGYGYLVHVEW-GFCCVEGCSA-N 266.344 4.568 30 10 CJEE CC(C)(C(=O)C1=CCCCCC1)c1ccc(F)cc1 232490087 YHOPJTMBGIGEDP-UHFFFAOYSA-N 260.352 4.563 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CSc2ccccc21 234454941 WGNPHSDINJKEAW-JKSUJKDBSA-N 275.461 4.600 30 10 CJEE CCCCCCCN1C[C@@H](C(C)(C)C)NC[C@H]1CC(C)C 250818274 KAAOFNOWEZPUFL-MSOLQXFVSA-N 296.543 4.691 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[C@H](C)CCS 252120516 KUAHPOIRGBGFQS-YHUYYLMFSA-N 272.498 4.810 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 252121582 KWRVKKQBRUSHCI-YABSGUDNSA-N 296.336 4.814 30 10 CJEE CC(C)n1cc([C@H](C)C#N)c2cccc(C(F)(F)F)c21 260345864 OHHKKYIWNDSOCG-SNVBAGLBSA-N 280.293 4.868 30 10 CJEE CCCCCCCCCCNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 300633402 XGKFNKFYKHWLQZ-MWDXBVQZSA-N 263.469 4.761 30 10 CJEE Cc1nc(S[C@@H]2CCC[C@@H](C)C2)c(Cl)cc1C#N 311066715 CKGJQCATOHTWJN-BXKDBHETSA-N 280.824 4.586 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cnc(OC)s1 311696150 LCWMWCNKCKHMED-CYBMUJFWSA-N 284.469 4.553 30 10 CJEE CCCCCCCCCCN1[C@H](CN)CC[C@H](C)[C@H]1C 316792828 GHTCDUYHNPVNLC-KSZLIROESA-N 282.516 4.575 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(F)cc2Cl)C1 316831186 LPANKMJBIZNPTH-WBMJQRKESA-N 282.786 4.807 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccccc2Cl)C1 317365703 VICNQELKWQRZIL-XJKSGUPXSA-N 264.796 4.668 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC2CCC(C)(C)CC2)C1 317844435 XZXBIGCQKNAKFG-PBHICJAKSA-N 250.426 4.988 30 10 CJEE CCCCCCCCCN1CCCCC[C@H]1C[C@H](C)N 380148649 ROFXVBQBXHGMKY-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@]1(C#N)CCCC[C@@H]1C 385023890 OWHKETJHBZHHJY-HOTGVXAUSA-N 265.441 4.530 30 10 CJEE 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295.879 4.800 30 10 CJEE C[C@@](C=O)(CCCC1=CCCCC1)c1ccccc1 2341089864 WYZNNWQKMBILMS-SFHVURJKSA-N 256.389 4.814 30 10 CJEE CC#CCCCC[C@@H](CCCCC1CC1)NCCC 2341406459 CJTXRNKXYBGSEP-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CC1(CNC[C@H]2CC[C@@H]2C(C)(C)C)CCCCC1 2343268602 MTPNNIVWBDCGAR-CVEARBPZSA-N 263.469 4.785 30 10 CJEE SCCCCCCCOC[C@H]1CSc2ccccc21 2343311075 TXYUYQKBAXOROY-AWEZNQCLSA-N 296.501 4.773 30 10 CJEE C[C@@H]1CC(C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C[C@@H](C)O1 2343371190 JPLXVXCWXHZHOI-APIJFGDWSA-N 263.425 4.546 30 10 CJEE C=C[C@](C)(CNCCC)Cc1cccc(C(C)C)c1 2343793379 VWBBWKMOLVFWOD-SFHVURJKSA-N 259.437 4.544 30 10 CJEE CCCCCCC[C@H](C)NCCCc1csc(C)n1 2343939100 HGTXEDMEJFFPDV-AWEZNQCLSA-N 282.497 4.723 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC2CCC1CC2)NCC 2344338962 FGSCYVQGPPYWHC-GQGLESIBSA-N 263.469 4.783 30 10 CJEE Cc1ccc(SC2(C#N)CC3(CC(C)(C)C3)C2)cc1 2344991413 JZRNQXYGPOFAHA-UHFFFAOYSA-N 271.429 4.950 30 10 CJEE Cc1cc(C)cc(N(C)C[C@](C)(CS)C(C)(C)C)c1 2352099431 OFZXKFFPEYZIGB-QGZVFWFLSA-N 279.493 4.722 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@H]1CC[C@@H]2C[C@@H]2C1 2353912559 YFTKCIRMOHAFKT-BRSBDYLESA-N 280.500 4.785 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cc(C)c(OC)c(Cl)c2)CC1 2360217407 NVSUFQOLUBRYSI-GFCCVEGCSA-N 292.806 4.976 30 10 CJEE Cc1ccc(/C=C2/CCC/C(=C(\O)C(F)(F)F)C2=O)cc1 33317406 RPIJWFBHLZPAKM-HLQGATLPSA-N 296.288 4.506 30 10 CJEE CCCCCCOc1ccc(C#N)c2ccccc12 33605363 DYLLLOIDOOTBBM-UHFFFAOYSA-N 253.345 4.671 30 10 CJEE CCCCC[C@@H](C)Nc1ccc(Cl)c(C#N)c1 36972740 QBGRFEHDHKIFGM-LLVKDONJSA-N 250.773 4.592 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2nc(C)c(C)c2C)C1 40730063 STZPYHAZGTUWRL-GVDBMIGSSA-N 287.451 4.726 30 10 CJEE CC[C@H](CC#N)C(=O)c1cccc(Oc2ccccc2)c1 43368452 ZSVLTJCDYAJIJR-CQSZACIVSA-N 279.339 4.601 30 10 CJEE N#C[C@@H](C(=O)c1ccc(Cl)s1)c1ccccc1Cl 51172179 VUUCOOTWMJATBE-SECBINFHSA-N 296.178 4.545 30 10 CJEE CCc1ccc([C@@H](C)N[C@H](CC#N)c2ccccc2)cc1 55017380 PFLPLZBPIPKGST-DNVCBOLYSA-N 278.399 4.555 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)C1 71125128 NJZOCNDCVDDMGX-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE C=CCCCNc1ccc(Cl)cc1C(F)(F)F 71275350 MPDDTQFLVBXQSM-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2cccc(C)c2)CC1 86914134 GQIJMAJCRPGTDG-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)CC1 86942473 MLKSSNTTXPUGJM-IAGOWNOFSA-N 270.420 4.769 30 10 CJEE SC/C=C/COc1cc(Cl)c(Cl)cc1Cl 87078896 JRVKGRGYSFADGI-OWOJBTEDSA-N 283.607 4.512 30 10 CJEE Cc1ccc(SCC[C@H](C)CCS)cc1C 87096119 XNKVZYFONDFCRH-LLVKDONJSA-N 254.464 4.742 30 10 CJEE CC(C)C1CCC(C#N)([C@@H](O)c2cccc(Cl)c2)CC1 91881683 DDULRJCFDITEGP-PWZRNIHTSA-N 291.822 4.730 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 103983013 WZPDDNWHGTYZKH-HRCADAONSA-N 270.457 4.549 30 10 CJEE CCCCCCCCO[C@@H](C)CNC1CCCCC1 104011188 SIQDSEWJBAXHLV-INIZCTEOSA-N 269.473 4.674 30 10 CJEE O=C1/C(=C\c2ccccc2Cl)CC[C@H]1C1CCCC1 104376414 FMJQRRQLNYXDNK-SZGZABIGSA-N 274.791 4.893 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1C)c1ccc(C)cc1 109945372 JCQZBERRESYNLU-QGZVFWFLSA-N 264.372 4.738 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2c(c1)CCCO2 110220524 ZKTCVYDTZUFWBN-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCC[C@H](N)C(C)(C)c1ccc(F)cc1 113605557 ZIGFNKMUSLSTGI-INIZCTEOSA-N 265.416 4.791 30 10 CJEE CCCCCCCCCCCC[C@@](C)(O)C(OC)OC 116658092 GLYAUKKHTYCQNU-QGZVFWFLSA-N 288.472 4.667 30 10 CJEE N#C[C@@]1(Cc2cccc(F)c2Cl)CCCc2ccccc21 123381214 TXQLAORSUBSLEK-SFHVURJKSA-N 299.776 4.819 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1COc2ccccc21 125017215 LVHNMHTXNUCRFP-MSOLQXFVSA-N 289.463 4.891 30 10 CJEE C=C(CC)COc1ccc([C@@H](C)NCCC)cc1Cl 132539251 KBEMADQDWWLICF-CYBMUJFWSA-N 281.827 4.746 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cc(CC)nn1C 139518943 WZVORJLATLWHLE-QGZVFWFLSA-N 293.499 4.774 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CSc2ccccc21 140359535 SIQVKMUTKMZGQA-HZPDHXFCSA-N 277.477 4.954 30 10 CJEE C=C(C)C[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 156321239 HPOYFOSVWHWMQX-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE CCCCCCCCNC[C@H](O)c1ccc(C(C)C)cc1 159293970 VFJUYLSICHVELX-IBGZPJMESA-N 291.479 4.794 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H](C(C)C)C2)C1 159757803 ASGVYIXWMVGDHO-XMTFNYHQSA-N 290.495 4.709 30 10 CJEE CCCCCCCCCCCc1nnc(NCC)n1CC 163459056 BKNNQBCPIWNALU-UHFFFAOYSA-N 294.487 4.803 30 10 CJEE CCCCCCC[C@H]1CC(=O)c2cc(C)ccc2O1 165245254 QXGSDVREIGYGHU-AWEZNQCLSA-N 260.377 4.689 30 10 CJEE CSc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1C#N 167597369 RLYZIURNWBAHKB-ZIAGYGMSSA-N 288.460 4.908 30 10 CJEE CN(C1CCCCC1)[C@H](C#N)c1ccc(Cl)cc1Cl 213030097 WKDJAGPMAKYYRX-OAHLLOKOSA-N 297.229 4.823 30 10 CJEE CC1(C)CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 227888875 VRUILGNKKUWFMN-IXDOHACOSA-N 290.495 4.853 30 10 CJEE CCCCCCCCOc1ccc2c(c1)NCCC2 229039167 CAFOYTVOQJUJLD-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE CCCCCCCCC[C@H](N)c1cncc(OCC)c1 229109303 MNBWOTDWTNJERA-KRWDZBQOSA-N 278.440 4.621 30 10 CJEE C=CCSCCN[C@@H](C)c1ccc(Cl)cc1Cl 231929860 DFZXBEBTRPASJS-JTQLQIEISA-N 290.259 4.563 30 10 CJEE Cc1ccc(N=C2c3ccccc3-c3ncccc32)cc1 254626667 MLSPRYZKFZKDRN-UHFFFAOYSA-N 270.335 4.540 30 10 CJEE C[C@@H](CC=O)c1ccc2sc(C(F)(F)F)cc2c1 258593014 VEMLYKXWMRIESE-QMMMGPOBSA-N 272.291 4.613 30 10 CJEE Cc1nc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)oc1C 300272649 QZKVEKXBTRMUEV-MELADBBJSA-N 292.448 4.738 30 10 CJEE C=CCC(C)(C)CN[C@H](C)CCc1cccc(C)c1 311745215 TZUHIIHXGZFQPP-MRXNPFEDSA-N 259.437 4.508 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2F)C1 317260541 FWMHKLXOVMXJGQ-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE C=C(CC)C[C@]1(CNC(C)C)CCCc2ccccc21 319123573 ILEYHLDEFCUUOU-IBGZPJMESA-N 271.448 4.615 30 10 CJEE C#C[C@H](N[C@@H](CCC)c1cccs1)c1ccccc1 378746290 OPMSPYLTAKQXRQ-HOTGVXAUSA-N 269.413 4.553 30 10 CJEE C=CCC[C@@](C)(O)c1cccc(Cl)c1C(F)(F)F 379005365 FITKJKZXLLNLRI-GFCCVEGCSA-N 278.701 4.533 30 10 CJEE C=CCCCNc1ccccc1OCc1ccccc1 380971658 AVMMGIDKJYGDES-UHFFFAOYSA-N 267.372 4.644 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@H]2CCCC2(F)F)C1 382025929 BJZUVUVNERXTTI-MCIONIFRSA-N 255.352 4.922 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@]1(C#N)CCc2ccccc2C1 383236393 DHAQPDSCLJPBQP-MNEFBYGVSA-N 267.416 4.902 30 10 CJEE C=C([C@@H](NCCC)c1scc(C)c1Cl)C(F)(F)F 385549165 WLVVDWKHBPFBGA-SNVBAGLBSA-N 297.773 4.869 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1ccsc1Br 389010524 MBFIWHNWMRQNEO-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE CCCCCCC[C@@H](NN)c1ccsc1C(F)(F)F 394958396 HPGMDNPUUYWDQV-LLVKDONJSA-N 294.386 4.632 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CCCCC1(F)F 400491169 CQPZREOAWUMYEE-GJZGRUSLSA-N 273.411 4.640 30 10 CJEE CCCCCCCCC[C@H](CCC[C@@H]1CCOC1)NC 400978720 SXBUADCUZDCYRR-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)CC(F)(F)F)NN 402529377 TWKWSARLJWWFCL-UONOGXRCSA-N 296.421 4.938 30 10 CJEE C[C@@H](NCC1CCC(C#N)CC1)c1ccc2c(c1)CCCC2 442863771 AMGOHEXKQQEOOG-KLAILNCOSA-N 296.458 4.546 30 10 CJEE SCCCCCCN1CCC[C@@H]1C1CCCCC1 688806021 FGLYJZCEEOXLRI-MRXNPFEDSA-N 269.498 4.521 30 10 CJEE CC(C)[S@](=O)N=C1CCCCCCCCCCC1 693020280 CULBIEGPTREVHL-SFHVURJKSA-N 271.470 4.804 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1ccns1 694563756 CIXVZGJSMOFHEP-OAHLLOKOSA-N 283.481 4.967 30 10 CJEE CCCCCCCCC[C@H](O)C[C@]1(C)CC1(F)F 701608733 SGTPRFDZMQKULP-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCCn1c(=S)[nH]c2cc(C)c(OC)cc21 703736165 XAYQKQKCIZJXAA-UHFFFAOYSA-N 292.448 4.986 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@]1(C#N)CCc2ccccc2C1 704988513 ZZUJBVSPRAXWPW-FHLIZLRMSA-N 253.389 4.512 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)s1 715773988 NNVFJZJKLUMEBH-GXFFZTMASA-N 257.830 4.654 30 10 CJEE CCCCCCCCCC[C@H](N)C1CC2(CSC2)C1 718361317 WVPIADNFSYXUQZ-INIZCTEOSA-N 283.525 4.988 30 10 CJEE CC(C)C(C)(C)CS[C@@H]1C[C@H](C)CC[C@@H]1C#N 718826343 OTKGHZMFIBEZIN-MGPQQGTHSA-N 253.455 4.730 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@](O)(CC)CC2CCCCC2)C1 720399019 KQTMOABEHIMHLY-BPQIPLTHSA-N 277.452 4.818 30 10 CJEE C=C1CCC(C[C@@H](CCC(C)(C)C)NCC)CC1 724598772 BGYWPMYXRLEVRR-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE N#Cc1cccc2c(C(F)(F)F)c(C(F)(F)F)sc12 725324685 PURHOSZKKHYRRO-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Cc1ccc(C#Cc2cc(C(F)(F)F)ccc2F)cc1C 725411475 KRULITKFSGUKIM-UHFFFAOYSA-N 292.275 4.861 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(C)c(C)c1 821217328 DHIRCMXUAFDAPM-VHEBQXMUSA-N 267.372 4.634 30 10 CJEE C=CCC1(C(=O)Nc2cccc(C(=O)CC)c2)CCCCC1 1127339945 VVJNISJZUYJHSX-UHFFFAOYSA-N 299.414 4.744 30 10 CJEE CCCCCCCCCCC(=O)Nc1cc(C)cc(O)n1 1162748735 QCIOJESMEHLGHJ-UHFFFAOYSA-N 292.423 4.565 30 10 CJEE C=CCCCCN1CCC[C@H]1CCCc1ccccc1 1168156394 UNTUIAKMMBNFQN-LJQANCHMSA-N 271.448 4.830 30 10 CJEE C=CCCCC[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 1180284815 NBVXRDUQZCLOBP-CQSZACIVSA-N 269.392 4.624 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H]2C(C)C)c(Cl)c1 1207703492 DJUYWGKNFMYCCA-DZGCQCFKSA-N 261.796 4.558 30 10 CJEE C=CCCCCCSc1ccc(-c2ccco2)nn1 1307365008 SBRDSPRYOAYKBI-UHFFFAOYSA-N 274.389 4.575 30 10 CJEE C=C(CC)CN(c1ccccc1)C1Cc2ccccc2C1 1307563104 IPBSAHIGWRLGIB-UHFFFAOYSA-N 277.411 4.627 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@H](C)c1ccccc1 1308814165 BISIEMOQPJLWON-FXAWDEMLSA-N 279.427 4.567 30 10 CJEE 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CCCCCCC[C@@](C)(O)c1c(F)ccc2c1CCC2 2178079089 IGVLATZHHXKNHZ-GOSISDBHSA-N 278.411 4.882 30 10 CJEE C=CCCCC[C@]1(CNC(C)(C)C)CCOC(C)(C)C1 2179678274 MZQZLCLBWSAESE-SFHVURJKSA-N 281.484 4.696 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cc(Cl)ccc2OC)C1 2182161002 UPVAMVHTFUUZIA-INIZCTEOSA-N 293.838 4.746 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cncc(C)n1 2182651906 WAQJBTVDINVBIM-INIZCTEOSA-N 277.456 4.576 30 10 CJEE C=C[C@@](N)(CC1CC2(C1)CC(C)(C)C2)c1ccccc1 2183159885 AEBLRMHCVBAUJO-LJQANCHMSA-N 269.432 4.633 30 10 CJEE CC(C)N[C@@]1(C#N)C[C@H](SCC(C)(C)C)CC(C)(C)C1 2183523757 BSQOFMSHCCZNMX-PBHICJAKSA-N 296.524 4.605 30 10 CJEE C#CCCCCC[C@H](NCCC)C12CCCC1CCC2 2183736447 SMEMGEFTPORMNO-XBMUEBEBSA-N 275.480 4.909 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCCOCCC2CC2)C1 2184390130 AMSSWLLNRKWYQU-ZACQAIPSSA-N 295.492 4.645 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCOC(C)C)C1 2184679319 GUNMHMLTNRKOHN-OAGGEKHMSA-N 297.508 4.889 30 10 CJEE N#CC1(Cc2csc(C3CCC3)n2)CCC(F)(F)CC1 2184896991 WLYDDVFDMAGGHP-UHFFFAOYSA-N 296.386 4.672 30 10 CJEE CSc1cccc(NCC[C@H]2CCC(F)(F)C2)c1C#N 2185327075 BFVLPBNGWVVENP-LLVKDONJSA-N 296.386 4.518 30 10 CJEE CC(C)C1CCC([C@](C)(O)[C@]2(C#N)CCC2(C)C)CC1 2188513372 MLNQEPAGVQKOKD-RLNQZENFSA-N 277.452 4.530 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 2188840944 NXAMZJZVAKTGAN-BFYDXBDKSA-N 268.404 4.501 30 10 CJEE CC1(C)CCC(C=O)(C2CC(c3ccccc3)C2)CC1 2191387363 SIKOWHFGYYPJMH-UHFFFAOYSA-N 270.416 4.966 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(C[C@]23CCOC[C@H]2C3)C1 2194492098 NHZKFMAXOCQIMR-RDTXWAMCSA-N 275.436 4.549 30 10 CJEE CC1(C)CC[C@]1(C=O)CC1CC2(C1)C(F)(F)C21CCC1 2195159175 QZHAZZHSDKNSBW-CXOJTPOUSA-N 282.374 4.597 30 10 CJEE CCCCCCCCCCN1CC[C@@H](N(CC)CC)C1 2195668202 HWJOKWZTTUJANX-GOSISDBHSA-N 282.516 4.543 30 10 CJEE CCCCCCCCCCN(C)[C@H]1COC[C@@H]1C(C)C 2195677924 XTBFOJLLEPVPOG-MSOLQXFVSA-N 283.500 4.730 30 10 CJEE C=CCCCCCC(=O)[C@H](O)C1CCC(C(C)C)CC1 2196597079 FEOCAFHACXVEAP-LEOMRAHMSA-N 280.452 4.515 30 10 CJEE C#CC[C@H](C[C@@H](O)C1CCC(C(C)(C)C)CC1)C1CC1 2196731729 KEHBMHHGPHGDFQ-GPQLOAJWSA-N 276.464 4.639 30 10 CJEE C=C(c1ccccc1)[C@H](O)c1ccc(C(C)(F)F)cc1 2197142316 ORDWBMNEYHXOIF-INIZCTEOSA-N 274.310 4.545 30 10 CJEE C#C[C@H](c1ccccc1)N(CC(C)C)C1CCCCC1 2197168159 SKOMHCVHXTVOOX-LJQANCHMSA-N 269.432 4.652 30 10 CJEE C=C(c1ccccc1)[C@H](N)[C@@H]1C[C@H]1C1CCCCCC1 2200160469 LKXAGHLVJIOJSJ-OTWHNJEPSA-N 269.432 4.634 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=N[C@@H]2CCC[C@H](C(C)C)CC2)N1 2201221847 OGSVAKZGMSXVIS-JONQDZQNSA-N 296.524 4.698 30 10 CJEE CC[C@@H](C)[C@@H]1CSC(=NC2CCC3(CCCC3)CC2)N1 2201223262 CPBRAUGHSRTHGZ-HIFRSBDPSA-N 294.508 4.597 30 10 CJEE CC1(C)CC(C[C@@]2(C#N)CCCCC2=O)CC(C)(C)C1 2203203487 MUEFYHJFWQPUSI-GOSISDBHSA-N 275.436 4.882 30 10 CJEE C#C[C@H](NCc1csc2ccccc12)C1CCCCC1 2203800426 KDMRKDFLKQHBOF-KRWDZBQOSA-N 283.440 4.573 30 10 CJEE C#C[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C1CCCC1 2204029571 UPOZNRQJPFYXBT-HNAYVOBHSA-N 269.432 4.653 30 10 CJEE Cc1cc(F)c(Cl)cc1NC[C@H](C#N)C1CCCCC1 2206410063 XQCGTIKQYZDXOV-ZDUSSCGKSA-N 294.801 4.920 30 10 CJEE C=CCCCCCCNc1cc(Cl)c(OC)cc1OC 2206899700 MQQMMCFWMJYVSB-UHFFFAOYSA-N 297.826 4.906 30 10 CJEE C=CCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1NCCC 2206899775 NBHGICPGDRAXDA-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@@](C)(N)c1ccc(OC)c(F)c1 2206901580 CWHNSCLPBCJEKG-QGZVFWFLSA-N 279.399 4.535 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@](C)(O)CCC=C 2206902892 NPFPTPJRDRFNFG-ZWKOTPCHSA-N 281.484 4.598 30 10 CJEE C=CCCCCCCCCCN1CCC[C@](C)(C#N)C1 2207386711 XIAZQKQLEUWCRW-GOSISDBHSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H](O)CC(C)(C)C 2207402515 CHKFNSJORGVFCM-SJORKVTESA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@]1(C(=O)O)CCC=CO1 2207424612 HEPKUHBSUVMGKB-QGZVFWFLSA-N 280.408 4.831 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1CCC[C@@H](OC)C1 2207438075 RXLGAXVQXNRHIR-RCCFBDPRSA-N 281.484 4.826 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@H]1CC12CCCC2 2207446242 FEJGPZSJJPOZKS-HOTGVXAUSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](N)C1=CCCCCCC1 2207460309 JTNBBBVIFZQYHE-QZTJIDSGSA-N 281.484 4.706 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCCCC2CC2)C1 2214544336 GFJVYEBKTVQHRP-YUELXQCFSA-N 251.439 4.628 30 10 CJEE C=CCCCCCCC[C@H](CC[C@H]1C[C@@H]1C)NC 2220083096 DZDJSLFDBYUPDT-YESZJQIVSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@]1(F)C[C@H]1C 2220083211 OHGUDUREKXRLAP-OWCLPIDISA-N 255.421 4.629 30 10 CJEE C=CCCCCCCC[C@H]1CCCC(F)(F)C1=O 2220091441 GOHPCEOVLAPPDC-ZDUSSCGKSA-N 258.352 4.908 30 10 CJEE CCC(C)(C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2220269104 QOKUOKWSFJQNOF-JTQLQIEISA-N 284.186 4.606 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(CC)o1 2220768953 AQWLJBLDOKRXDZ-CQSZACIVSA-N 251.414 4.681 30 10 CJEE CC#CCC[C@H](NCCC)c1sc(C)c(C)c1C 2221238995 GHXJGFZQMJBTRS-HNNXBMFYSA-N 263.450 4.518 30 10 CJEE C=CCCCCCCCCCC[C@H](N)P(C)(C)=O 2221502690 UZHSANSDYHKAPZ-OAHLLOKOSA-N 273.401 4.981 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@]2(C)C[C@H]12 2223850526 LSUPDOVFXIZGPD-YLFCFFPRSA-N 251.458 4.904 30 10 CJEE CC1CC(C#N)(CC2C[C@@H]3CCC[C@H](C2)C3(F)F)C1 2225357900 SKUCMZYCGUFURD-QRFUTXMCSA-N 267.363 4.778 30 10 CJEE C#C[C@@H](CC(C)C)NCc1ccc(-c2cccs2)s1 2226327198 IPUNHRIJMSOKJW-ZDUSSCGKSA-N 289.469 4.614 30 10 CJEE N#C[C@H](C(=O)CCC1CCC1)c1cccc(Cl)c1Cl 2227505166 AUXVOKPRQGRFPB-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE C=CCCCCC[C@](C)(N)c1ccc(Cl)c(OC)c1 2227588142 SPYXFCAQEDRIQD-INIZCTEOSA-N 281.827 4.659 30 10 CJEE C#CCCCCC[C@@H](NCC)C1(C)CC2(CCC2)C1 2228269563 IOWCKCNTLZDRKH-MRXNPFEDSA-N 261.453 4.519 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@]1(C)CCCC1(F)F 2231541782 AJZDKGMDEAAVDR-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE C=C(Cl)C[C@H](NCC)[C@@](C)(O)CCCCCCCC 2231947433 YTFYSDBJYVDITE-HOTGVXAUSA-N 289.891 4.609 30 10 CJEE C=CCCCCCC[C@H](NN)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233525935 CFJMMGCIATWAKD-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cc2cc(F)ccc2s1 2233780879 CKTANMYVDMFUAQ-AWEZNQCLSA-N 289.419 4.741 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCCC1 2233783377 VICUPTPBSGVOGM-QRVBRYPASA-N 275.480 4.765 30 10 CJEE CC1(C)CCC[C@@H](C(=O)C2=CC[C@@H](C(C)(C)C)CC2)O1 2235192463 JZQFVUXUHWWMRN-CABCVRRESA-N 278.436 4.676 30 10 CJEE C=CCCCCCCCNc1cc(F)c(F)cc1OC 2235524046 LZRDLTSIIOYSOR-UHFFFAOYSA-N 283.362 4.912 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@](O)(CC)C(C)C 2235524378 PMZOBBAQWMQWBY-MSOLQXFVSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@H](NC)c1cnc(C)cc1C 2235524749 SXPJKRUCAQHRHT-SFHVURJKSA-N 274.452 4.876 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](O)c1cccc(C)c1 2235542072 OINLVGGHPZIHJA-SFHVURJKSA-N 274.404 4.514 30 10 CJEE C=CCCCCCCCC(=O)[C@H](O)c1ccccc1C 2235542756 VWVISLFNBDBQFG-GOSISDBHSA-N 274.404 4.514 30 10 CJEE C=CCCCCCCCNC[C@H]1C[C@@H]2CSC[C@H](C1)C2 2236771150 UOEQQPAMIVULMM-NNZMDNLPSA-N 295.536 4.882 30 10 CJEE CCN[C@H](C#Cc1ccc(Cl)cc1)[C@H](CC)CC(C)C 2239469382 UHRAAJQZIFWOMJ-SJLPKXTDSA-N 291.866 4.742 30 10 CJEE CCCCCCCCCCCOCc1cccnc1N 2239493001 OVFVWXKFFFKAEM-UHFFFAOYSA-N 278.440 4.711 30 10 CJEE CCCCCCCCCCOC[C@H]1CC[C@H]1CNCC 2239505299 WYWCOQMCPHVCQF-ZWKOTPCHSA-N 283.500 4.779 30 10 CJEE CCCCCCCCCCO[C@H]1CCN[C@H](C(C)C)C1 2239510813 PJEMFRXMJREQML-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCO[C@](C)(C(=O)O)[C@@H]1CC1(C)C 2239516681 XWFTZOJEBZBYTG-PBHICJAKSA-N 284.440 4.643 30 10 CJEE C=CCCCCOc1ccc(CN[C@@H](C)CC)c(Cl)c1 2240241709 SWHCAYXVWRXJDV-AWEZNQCLSA-N 295.854 4.963 30 10 CJEE CCCCCCCC[C@@H](C)n1cc(CNCC)c(C)n1 2240556262 NWJZVEJOWMATBZ-OAHLLOKOSA-N 279.472 4.613 30 10 CJEE CCCCCCCC[C@@H](C)N1CCCC[C@@H]1CCNC 2240571345 CISUGQYUYRILTC-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](N)CCCC(C)(F)F 2240639985 LOIAGCBAMNKPNN-GJZGRUSLSA-N 293.442 4.641 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NCCC)[C@H](C)CC 2240654533 SHIMIRGJBHKFQT-KURKYZTESA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](CO)CC(C)(C)C 2240657257 KUFPUELUXCLAEJ-IRXDYDNUSA-N 285.516 4.760 30 10 CJEE C=CCCCSC[C@H](N)c1cccc(Cl)c1Cl 2250015645 HGEQXRBORWSAHQ-LBPRGKRZSA-N 290.259 4.693 30 10 CJEE C=CCCSc1sc(CN[C@H](C)CC)cc1C 2250019740 WORAPUMGXUTOEV-GFCCVEGCSA-N 269.479 4.613 30 10 CJEE CC(C)c1ccc(SCC2(CS)CC(F)C2)cc1 2254444181 JENHRGUCACCZED-UHFFFAOYSA-N 284.465 4.950 30 10 CJEE C=CC[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2255405828 GJGVVQFBPAIBRT-CYBMUJFWSA-N 288.218 4.619 30 10 CJEE C=C(C)CCCC[C@@H](O)C(CC)(CC)C(F)(F)F 2259195903 ANXMIOIQGGGBKX-GFCCVEGCSA-N 266.347 4.853 30 10 CJEE C=C(C)CCCC[C@H](O)[C@]12CCCC[C@H]1CCC2 2259196999 SAYIFFTVIUJBDS-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C 2259236522 CYPLYFJLYAKQCA-BBWFWOEESA-N 252.442 4.946 30 10 CJEE C=C(C)CCCC[C@H](NN)c1c(Cl)cccc1Cl 2259236975 IXAHBSJSTZHRDK-ZDUSSCGKSA-N 287.234 4.634 30 10 CJEE N#CC1(C[C@@]23CCC[C@@H]2CC3)CCC(F)(F)CC1 2260589365 XTIFPKRFTTVLNT-OCCSQVGLSA-N 253.336 4.676 30 10 CJEE C=CCCCCCC(=O)c1nc2ccccc2s1 2263553023 DBPQYFDOUAQEOR-UHFFFAOYSA-N 259.374 4.616 30 10 CJEE CCCCCCC[C@H](O)C[C@@H]1CC(F)(F)C12CCC2 2266090432 QUKVYQFXENZQAC-KGLIPLIRSA-N 274.395 4.923 30 10 CJEE CCC[C@@H]1CC[C@@H](O)[C@H](CC=CC#CC(C)(C)C)C1 2268741292 GLXLHHDDWARSCT-BRWVUGGUSA-N 262.437 4.560 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1SCC1CC(C(F)(F)F)C1 2271700459 CPIICIQRZAASHD-KPFVRQRISA-N 291.382 4.781 30 10 CJEE C=C(C)CCCC[C@@H]1[C@H]2CC[C@@H](C2)C[C@@H]1NCCC 2271790271 DUKZZHMWNIZSLY-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=C(C)CCCCNCc1ccc(C(F)(F)F)cc1 2271791917 PWUATWIBIPIZGM-UHFFFAOYSA-N 271.326 4.541 30 10 CJEE C=C(C)CCCC[C@@H](NCC)C1CC(=C2CCC2)C1 2271834084 ZGKAHYAIFUHGGK-GOSISDBHSA-N 261.453 4.992 30 10 CJEE C=C(C)CCCCC(=O)c1cccc(OC2CC2)c1 2271841472 LXSMGDJJGCBVBZ-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE CCCCCCCC[C@H](NC)[C@H](O)[C@@H](CC)CCC 2272039453 LBKWTTFWEGEZQM-YESZJQIVSA-N 271.489 4.512 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(CC)CCCC1 2273972876 WHKUTNQNCXATFP-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CN(CC1(CS)CCC1)[C@H]1CC(C)(C)CCC1(C)C 2274531590 LPVWLHBXENTEHB-AWEZNQCLSA-N 283.525 4.623 30 10 CJEE CCCCCCCC[C@@H](CCCC(F)F)OCCN 2276720224 UYCQQOCKOVWDOM-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE C=C[C@@H](C)C[C@@H](CCC12CC3CC(CC(C3)C1)C2)NC 2279925441 OCKJNGXDWUZDKZ-UXJMZZSFSA-N 275.480 4.783 30 10 CJEE C=CCCCC[C@@H](NCCC)[C@@H]1CC(F)(F)C12CCC2 2280869914 LXWRNRYEPKVOFT-LSDHHAIUSA-N 285.422 4.927 30 10 CJEE C=C1CCC(CN(C)Cc2ccc(CCC)cc2)CC1 2283526300 YILHRWQYUWFEIQ-UHFFFAOYSA-N 271.448 4.817 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@H](F)CC[C@H]1O 2287399207 HGTPCFOGAGXEJT-BRWVUGGUSA-N 288.447 4.785 30 10 CJEE C=C(C)CCCC[C@H](NN)c1cccc(C(C)(C)C)c1 2287407700 ZEABOLSTMLDJSR-KRWDZBQOSA-N 274.452 4.625 30 10 CJEE CSCC1(C[C@@]2(C#N)CCc3ccccc3C2)CCC1 2289660713 QVSXBZDYUFKFRA-GOSISDBHSA-N 285.456 4.609 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C1(C(C)(C)C)CCC1 2289692430 WWFKEBSHWBNRFB-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)c1ccccc1Cl 2289697398 GZMVCZFBQKUBLA-GOSISDBHSA-N 289.850 4.964 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@@H]1CCC[C@@H](CC)C1 2289703408 HOYNUYHUOVLZLI-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C(C(C)C)C(C)C 2289876108 UOCRKFFWXKKTTI-SFHVURJKSA-N 277.496 4.867 30 10 CJEE CCCN[C@](C#N)(CSCC1(C)CCC1)C[C@@H](C)CC 2290415241 YVGJXSMQTUFROM-DOTOQJQBSA-N 296.524 4.608 30 10 CJEE CCCCCCCCCC[C@](C)(OCC(=O)O)C(F)F 2290576716 DVOUTKGPIJHETE-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE CCCCCCCCC[C@@]1(OCCC(=O)O)CC[C@H]1C 2290579159 LSIRRGIMYDQZRW-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@](C)(OCCC(=O)O)c1cccs1 2291448598 XJCRZBFGZMXDDK-INIZCTEOSA-N 296.432 4.591 30 10 CJEE C=C(C)CC[C@@]1(OCCC(=O)O)CCCCCC1(C)C 2291450265 RLTAYULEKRUGCY-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@](C)(CC1CCCC1)OCC(=O)O 2292727830 PBWAIZDOIMNCDT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCC[C@H](CC1CCC1)OCCN 2292793967 AQMBVTZARHGFIR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCC[C@H](CC)CSC[C@@H](O)c1cccc(C#N)c1 2295795228 KNOCFWJTWCJORK-WMLDXEAASA-N 291.460 4.541 30 10 CJEE COc1ccc2ccccc2c1C(=O)C=Cc1ccccc1 2297549077 JZZBWIKGCLNJCQ-UHFFFAOYSA-N 288.346 4.745 30 10 CJEE C=CCC(CC=C)OCc1cc(Br)ccc1C 2298831619 HSIPPYPFPNJTNL-UHFFFAOYSA-N 295.220 4.795 30 10 CJEE Cc1c(CC(=O)C2=CCCC2)ccc(Cl)c1Cl 2301114918 JMLWGELYTIMGND-UHFFFAOYSA-N 269.171 4.524 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1c(Cl)cccc1Cl 2304027878 LVYZOGSYRAHNIH-CYBMUJFWSA-N 272.219 4.856 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1c(C)sc(C)c1C 2304114301 CMHNKTIJBBDMMB-HUUCEWRRSA-N 252.423 4.699 30 10 CJEE CCCCCCCOC[C@](C)(CS)C(C)(C)C 2307100290 IHIXGJLTGIBQQQ-OAHLLOKOSA-N 260.487 4.956 30 10 CJEE CCCC1CC(OC[C@@](C)(CS)C(C)(C)C)C1 2307144813 JTDZVPJBIFCGOK-PIMMBPRGSA-N 258.471 4.564 30 10 CJEE C=CCCCCC[C@@H](O)[C@@H]1C[C@H]1C1CCCCC1 2311498954 OMCRQVIWGURDKL-GVDBMIGSSA-N 250.426 4.700 30 10 CJEE CCCC[C@@](C)(C=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2316953711 UQKHUXZFAJWGAZ-LUKYLMHMSA-N 250.426 4.988 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cccc2sccc12 2319261786 QUUHBKHDTDUQHT-HOCLYGCPSA-N 257.402 4.518 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCC2(C(F)(F)F)CC2)C1 2321544924 NVNLCHUBXBFDHB-VXGBXAGGSA-N 259.315 4.829 30 10 CJEE C[C@H]1CCC[C@H](COCC2(CS)CC(C)(C)C2)C1 2321724288 QMGQJSITDFFIOX-KBPBESRZSA-N 270.482 4.566 30 10 CJEE CC1(C)CC(CS)(CSc2cc(F)ccc2F)C1 2321752368 KQHSZDVSZNGTHA-UHFFFAOYSA-N 288.428 4.793 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329765088 JRUVBISNQPQLSM-LJISPDSOSA-N 273.411 4.746 30 10 CJEE CC(C)c1ccc(OCCON=C2CCCC[C@@H]2C)cc1 2329917748 CPALRAHCKWROBX-HNNXBMFYSA-N 289.419 4.772 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H]1CC[C@H]1C(F)(F)F 2333706029 CWUCGWRSVKQTRD-MGPQQGTHSA-N 277.374 4.819 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334486466 AZNVGCGAAPRDJV-ZQDZILKHSA-N 273.411 4.638 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC[C@H]1C)OCCN 2335037253 UBILAHMYJNVLGC-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(CC)cc1 2337108725 IPCNQPSSEXJVKS-QGTPRVQTSA-N 257.421 4.644 30 10 CJEE C=CCCCCCCCSCCC[C@@H]1C[C@@H]1C(=O)O 2337460912 LRXFAOLDWHONAM-CABCVRRESA-N 284.465 4.747 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](NCCC)CC(C)(C)C1 2338660004 MINAQRKFZMANCU-IAGOWNOFSA-N 263.469 4.949 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cccc(C(C)C)c1 2343748151 UQBOLQCXWWMACT-WMZOPIPTSA-N 257.421 4.644 30 10 CJEE C=CCSc1ccccc1N[C@H](CC1CC1)C1CC1 2343835187 CYEZYRICVFMHIB-MRXNPFEDSA-N 273.445 4.955 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1nc2ccccc2s1 2344358710 WHHBDDOOORUDHH-AWEZNQCLSA-N 274.433 4.549 30 10 CJEE C=CC[C@H](C)C(=O)CCC12CC3CC(CC(C3)C1)C2 2344421525 RTSLUSWXDSBPFV-IILDEKEXSA-N 260.421 4.764 30 10 CJEE C=CC[C@H](C)[C@H](O)c1cccc(-c2ccccc2)c1 2344462332 KWBZRUXWODPGAB-KSSFIOAISA-N 252.357 4.599 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@H]2C2CCCCCC2)CCCOCC1 2357827038 UCHOIHNGBDBBFE-BZSNNMDCSA-N 275.436 4.693 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1C(C)(C)C 2358323213 GRKDUKFJGDZDSZ-BRWVUGGUSA-N 280.500 4.807 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1C[C@@H]1C1CCCCCC1 2360212406 GOCGICUUZNSSFA-IAGOWNOFSA-N 276.420 4.657 30 10 CJEE C=CC[C@@H](C)Sc1cccc(OC)c1[C@H](C)NCCC 2360371361 LOCYIGPHDHMQRH-KGLIPLIRSA-N 293.476 4.813 30 10 CJEE CCN[C@](C#N)(CC)CCCSC[C@H]1CC[C@H](C)CC1 2360507412 XIWNMDAASAOFLF-BRWVUGGUSA-N 296.524 4.608 30 10 CJEE O=C1/C(=C\c2ccccc2Cl)CCCc2ccccc21 104781 TWKPCOVDXATRSQ-QINSGFPZSA-N 282.770 4.943 30 10 CJEE Oc1ccc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1 145530 PDDAWRGHUWFHSX-UFWORHAWSA-N 299.679 4.815 30 10 CJEE N#C[C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 13517803 MWISMDNUXLOMTQ-LLVKDONJSA-N 254.160 4.791 30 10 CJEE in-vivo Cc1ccccc1/C=C1/CC[C@@H](C2CCCC2)C1=O 33910871 VERFDXWUHGZEQQ-WBILKINKSA-N 254.373 4.548 30 10 CJEE CCc1c(C)nn([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1C 40732537 QABKCJWTFPZWFB-BFYDXBDKSA-N 287.451 4.589 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc2ncccc12 52859503 IZDSZZKSDOXAFL-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCC(C#N)(CC)CCOc1c(C)ccc(C)c1C 57714755 QTRMSOKWQVJOAA-UHFFFAOYSA-N 259.393 4.711 30 10 CJEE CCC(C#N)(CC)CCOc1ccc(Cl)c(C)c1 57714793 UYWFDRVEFYOJSN-UHFFFAOYSA-N 265.784 4.747 30 10 CJEE CCCCCCCCNCc1nc2ccccc2s1 59055595 QCVIRXZMJIWRFB-UHFFFAOYSA-N 276.449 4.746 30 10 CJEE CCCCCCCCOc1ccc(F)cc1[C@H](C)N 59087989 YSHIILGKJYZJIN-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CCCCCCCCNc1cc2c(cc1Cl)NC(=O)C2 59434560 ZIBUYMOAVLTXEZ-UHFFFAOYSA-N 294.826 4.607 30 10 CJEE CCCCCCCCNc1ccc(Cl)c(C(=O)O)c1 59469317 VRTXDIYJEDVAOT-UHFFFAOYSA-N 283.799 4.811 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(CC)s1 59526274 KQSMAGMVPWIQKB-UHFFFAOYSA-N 282.449 4.870 30 10 CJEE CC(C)c1c(C#N)oc2c(Cl)cc(Cl)cc12 71126152 HVIWLFQYSIXWJH-UHFFFAOYSA-N 254.116 4.735 30 10 CJEE Cc1cccc(N[C@@](C)(C#N)c2ccc(F)cc2Cl)c1 78900439 YNXKVNFTEQKQTG-INIZCTEOSA-N 288.753 4.638 30 10 CJEE CC1(C)CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 79973898 LTVOTAQKMCYFRN-ZDUSSCGKSA-N 262.784 4.592 30 10 CJEE N#CCC(=O)c1cn(C2CCCC2)c2cc(Cl)ccc12 84872098 BKLLOFIHDUJGEX-UHFFFAOYSA-N 286.762 4.506 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCCC(C)(C)CC2)c1 86914137 DUZCVRDKUTYDDV-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE CCCC1CCC(O)(C2(C#N)CCC(C)(C)CC2)CC1 91875838 LOYCDROYALWHEE-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CCCC(CS)(CCC)CO[C@H](C)CC(C)C 94583786 ARRURACHYFPUBE-CQSZACIVSA-N 260.487 4.954 30 10 CJEE CCCCCCC[C@H](C)NCc1cccnc1OC(C)C 109925991 WXTGLMHHCZZQPC-INIZCTEOSA-N 292.467 4.707 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2cc(C)c(Cl)c(C)c2)n1 110262553 WXMAAVRREUQITA-UHFFFAOYSA-N 286.762 4.633 30 10 CJEE CCCCCCC[C@H](CSCCC)NCCC 115802762 MRSSSADRTGXGHT-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCC[C@@H](O)[C@@](C)(CC)N(CC)CC 118155307 YQRILMLCZQCKBP-IAGOWNOFSA-N 271.489 4.608 30 10 CJEE CCCCCCCCn1ccc([C@@H](C)NCCC)c1 118240272 JXMHEOYXLWNPKO-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(C)CCCO1 123561762 MYYXBZKWSWYQLT-MRXNPFEDSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccccc1)NN 125394250 YVEYJVDZKRZMAH-SFHVURJKSA-N 276.468 4.592 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H](OCC)C1CC1 129956400 AOEXWPGVVLIWIP-SJORKVTESA-N 269.473 4.660 30 10 CJEE CC(C)CC[C@H](C)Nc1ccc(Br)cc1C#N 132133575 OPPULYHLRMWLDM-NSHDSACASA-N 295.224 4.557 30 10 CJEE CCSc1cccc(N(C)[C@H]2CCCC[C@@H]2C)c1C#N 136648245 GHOBDFXKEFERQJ-ZFWWWQNUSA-N 288.460 4.685 30 10 CJEE CCCCCCC[C@H](C)Nc1cccc(CCCO)c1 139017536 DZHRAJPIXHLMKW-INIZCTEOSA-N 277.452 4.772 30 10 CJEE C[C@H](N[C@H](CC#N)c1ccccc1)C1CCCCCC1 150216721 QBAQWJBUOBWARJ-MAUKXSAKSA-N 270.420 4.590 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](CCC)OC 158219339 RRQUJYFODWWWFS-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc2c(c1)CCO2 159166769 MHGMJYDNFIHLRS-HNNXBMFYSA-N 275.436 4.633 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@](C)(CC)OC 163526684 JVFDCMNASZCASX-CVEARBPZSA-N 257.462 4.530 30 10 CJEE C[C@H]1CCCC[C@H]1N(C)c1ccc(C(F)(F)F)c(C#N)c1 164446540 KHNSTGOXSLKCHA-XHDPSFHLSA-N 296.336 4.592 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1ccsc1 166401614 IDCGWQYPEPNTMG-OAHLLOKOSA-N 268.470 4.783 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(CC)s1 167699497 IEJUBIUOBVCOPJ-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE C[C@@H]1C[C@@H](C)CN([C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 212945495 BDOCWAZCPSKYPJ-RKVPGOIHSA-N 284.447 4.527 30 10 CJEE C[C@H]1C[C@@H](C)CN([C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 212951911 VROAWMIRGBVNBE-RWSFTLGLSA-N 297.229 4.536 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(C)c1 229737908 IIFXCHFGBWVNDM-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=C(CC)C[C@@H](NCCC)c1ccc(OC(F)F)cc1 229755026 BNZIGRNPGRKTFF-OAHLLOKOSA-N 283.362 4.685 30 10 CJEE CC#CCC[C@H](NCCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232392552 BDGWFCPGWMDDSQ-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE C=CCCCCCNc1ccc(N2CCCCC2)cc1 232583710 QOWVWGDTNKUNQE-UHFFFAOYSA-N 272.436 4.835 30 10 CJEE CCCCCCCCOC(=O)c1cc(S)cs1 232956405 UTVMNXFCTDPPLS-UHFFFAOYSA-N 272.435 4.554 30 10 CJEE CCCCCCCCOC1(CCNCC(C)C)CCC1 232957396 QFWWWVYWWCDNMN-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCc1nc2ccc(C)cn2c1N 232963475 SSUWPYDVENKLOC-UHFFFAOYSA-N 273.424 4.518 30 10 CJEE Cc1ccc([C@H](C#N)Nc2ccccc2C)cc1Cl 235901301 UBOUYYXVNAVUCM-INIZCTEOSA-N 270.763 4.634 30 10 CJEE C=CCOC(=O)NC1CCCCCCCCCCC1 243149011 JNIULZNTJAFZFJ-UHFFFAOYSA-N 267.413 4.572 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C(C)C)CC[C@H]1N 250815786 JCHQGCSCCDUADM-GVDBMIGSSA-N 269.473 4.516 30 10 CJEE CCCCCCCC[C@H](NN)[C@@H]1C[C@@H](C)C[C@@H](C)C1 253000717 JMPZNKULRTZQFO-HZMVEIRTSA-N 268.489 4.641 30 10 CJEE CC(C)c1ccc(Br)cc1C1(CC#N)CC1 260658442 GAZNYGVAJKGFKA-UHFFFAOYSA-N 278.193 4.518 30 10 CJEE C=C([C@@H](NCCC)c1c(F)cccc1Cl)C(F)(F)F 311543660 UMAWCZVGDJNPLU-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE C=CCCCCCCN[C@@H](C)c1ccc(F)c(F)c1 312065252 KNPNKVONECFWOY-ZDUSSCGKSA-N 267.363 4.752 30 10 CJEE CCC[C@@H](Nc1ccc(Cl)c(C#N)c1)C1CCCC1 313402188 VKNKYWBTHYLSIG-MRXNPFEDSA-N 276.811 4.982 30 10 CJEE CC[C@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1 313430875 VEBBOYTXHFFRMS-KRWDZBQOSA-N 284.790 4.969 30 10 CJEE CCC1CCC(C=O)([C@@H]2CCCC[C@H]2CC)CC1 316560631 AGNAWJJUDFRZPN-JCCCHCCOSA-N 250.426 4.988 30 10 CJEE CCCC[C@H](CC)C[C@]1(C=O)CCc2ccccc21 316657025 RUZBYEPWOILXOD-YJBOKZPZSA-N 258.405 4.676 30 10 CJEE CCCCCCCCC[C@@H](CNCCC)OC(C)C 316672821 HAQDELHUQOQKLE-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C[C@@H]1CC[C@](C=O)(C[C@@H]2CCCc3ccccc32)C1 317770937 VYULFVKGRJKGJW-UWWQBHOKSA-N 256.389 4.502 30 10 CJEE N#C[C@@]1(Cc2csc(Cl)c2)CCc2ccccc2C1 379000106 RAGSVPZXRGIIOS-MRXNPFEDSA-N 287.815 4.643 30 10 CJEE CCCCCCCCC[C@H](Cc1csc(C)c1)NN 381784559 YVKPAIASAMIVEX-MRXNPFEDSA-N 282.497 4.572 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCCCC2CCOCC2)C1 388915418 OBUVJTJABODCQU-RDJZCZTQSA-N 263.425 4.693 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@@H](c2ccccc2)CS1 391372201 SBSLMJFYVRAZID-OAHLLOKOSA-N 290.476 4.637 30 10 CJEE COc1ccc(Cl)cc1C[C@]1(C#N)CCCC[C@H]1C 394979262 VKCVSFMFLCBYTL-WBMJQRKESA-N 277.795 4.611 30 10 CJEE CCCCCCCCCCC[C@@H](O)C[C@H]1CCOC1 400637859 OXZPIBGLFVREJM-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1ccc2c(c1)CCCCC2 404534294 YUMIMYHCHQNGRC-MRXNPFEDSA-N 270.420 4.553 30 10 CJEE C=CC[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 405957332 LTXJEUNNWPUTCJ-LBPRGKRZSA-N 277.717 4.586 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1cccc(Cl)c1 464571701 RCAYSOCZPDHKEX-WFASDCNBSA-N 279.811 4.510 30 10 CJEE CC(C)(C#N)CCCCN[C@H](C(F)F)C1CCCCC1 598650347 RIUXVXYGEWKLSV-AWEZNQCLSA-N 286.410 4.510 30 10 CJEE C#CCCCCC[C@H](O)c1cc2cc(F)ccc2s1 686676585 JXJKELKDFNSIJG-AWEZNQCLSA-N 276.376 4.658 30 10 CJEE CCCCC1CCC(N)(CC#Cc2ccccc2)CC1 690535786 KHCORCRHSBJMOX-UHFFFAOYSA-N 269.432 4.506 30 10 CJEE C=CCC1(Nc2cccc(Cl)c2C#N)CCCC1 690792767 XVIDTMWRPHXFEA-UHFFFAOYSA-N 260.768 4.512 30 10 CJEE CC[C@H]1CCCCC[C@H]1Nc1cccc(C)c1C#N 691076894 YIHFGHWYIQBHPU-GOEBONIOSA-N 256.393 4.638 30 10 CJEE CCCCCCCCO[C@@H](CNCCC)CC(C)C 695117469 NFOYSWWHCLXNKP-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCC[C@H](C(=O)O)C1CCOCC1 696812067 FBPAXBTVMAYSKA-INIZCTEOSA-N 284.440 4.645 30 10 CJEE C=CCC[C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 699081693 YYSYWSFJAXPOFM-HLLBOEOZSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(CCC)CCCN1 702906773 LZKGXLWPMZXDBN-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCCCC(C)(C)C#N 703755331 BOWXEJFMGYUQQE-ZACQAIPSSA-N 278.484 4.757 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CC2(c3ccccc3)CC2)C1 704043271 PHCHMDDWIRNUFM-WBVHZDCISA-N 253.389 4.828 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCSC1)NC 708762179 GBCCUGRZYXNGFL-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C#N)COc2ccccc2C1 709236976 QGODOSSDMPGISI-KBXCAEBGSA-N 271.404 4.594 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@H]1CNCCC 710642601 UAJYJCIUKRWHLX-OWCLPIDISA-N 271.876 4.961 30 10 CJEE C=C[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553920 QAGJNSBTEQFVKK-NSHDSACASA-N 277.717 4.586 30 10 CJEE C=CC[C@H](C)C1(CNC2CC2)CCC(C(C)C)CC1 715717016 XPLWIPAIYWKWSL-HJOIGYKYSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)ccc1Cl 715719011 JRWNREFXIVZWET-IINYFYTJSA-N 272.219 4.856 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCC2(CCC2)O1)NCC 716891711 VJLRXHHUMOMEJR-DLBZAZTESA-N 281.484 4.817 30 10 CJEE CC[C@H](CC1CCCCC1)Nc1ccc(C#N)cc1F 720939117 DFCWISLWCJPCJC-OAHLLOKOSA-N 274.383 4.858 30 10 CJEE C=CC[C@@H](CCc1ccccc1)OC(=O)CCC(C)(F)F 797564248 NONXOPLXQIBKBI-HNNXBMFYSA-N 296.357 4.543 30 10 CJEE N#CCCCn1ccc2c(-c3ccccc3Cl)nccc21 821289264 FKAJMGCNHNGKDK-UHFFFAOYSA-N 295.773 4.660 30 10 CJEE C=CC1(CC(=O)O[C@H](C)c2cccc(C#N)c2)CCCCC1 1127093407 BZVQTJGCRWLTSB-OAHLLOKOSA-N 297.398 4.689 30 10 CJEE C=C[C@H](C(=O)N[C@@H](CCC)c1ccccc1)c1ccccc1 1136050986 NNQGQLGJWUYNSB-OALUTQOASA-N 293.410 4.614 30 10 CJEE C=CCCCN(CCCC)Cc1ccccc1Cl 1167291610 SBPNGCIQWBLYIB-UHFFFAOYSA-N 265.828 4.908 30 10 CJEE C=C(C)[C@H](N[C@H](C)[C@H](C)CC)c1ccc(F)c(F)c1 1169472511 HLYBUVPKPQNGJR-HSMVNMDESA-N 267.363 4.606 30 10 CJEE C=CCCCCCN1CCC[C@@H]1/C=C\c1ccccc1 1176639007 AXPJNMIKLLHQKI-VKNLVWNJSA-N 269.432 4.911 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(CC(C)C)s1 1179143124 SWOHGCRMMNXBSI-ZBFHGGJFSA-N 292.492 4.566 30 10 CJEE C=CCCCC[C@H](C)Nc1cc(OC)cc(OC)c1C 1181154661 SGAPRXVFTQTXHR-ZDUSSCGKSA-N 277.408 4.559 30 10 CJEE C=CC(C)(C)CCCN[C@@H](CCC)C1CCCC1 1183670911 FTVNVPQCSRDNIJ-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CCCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@@H](C)C1 1194713722 BNFORKRKUGCMRR-YLJYHZDGSA-N 298.474 4.933 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc3ncsc3c2)C1 1205471600 OMVFCHCIXBZWLD-GZBFAFLISA-N 286.444 4.692 30 10 CJEE Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2c1 1205875233 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CC(=O)c1cc(Cl)c(C)cc1O[C@@H](C)CC(C)(C)C#N 2286441552 DEBDDPKYQXDDLG-NSHDSACASA-N 293.794 4.558 30 10 CJEE C=CCCCCCCCSc1c(N)ccc(F)c1C#N 2287182422 OPXXSSDJBVEBHJ-UHFFFAOYSA-N 292.423 4.898 30 10 CJEE C=CCCCC[C@@H](NCCC)c1cnc(OC)c(Cl)c1 2287242705 MJRQBNWAHNYUSD-OAHLLOKOSA-N 296.842 4.531 30 10 CJEE C=CC[C@@]1(COCCCCCCCCC)CCCNC1 2287852571 NBIYQUXEVMJVQC-GOSISDBHSA-N 281.484 4.700 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1CCCC1(C)C 2289708551 FPDKXLRACBLZNJ-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE C=CCCC[C@@H](OCCC(=O)O)C1CCCCCCC1 2290643308 HNSQKGASDQQFNG-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)[C@@H](C)CC(C)C 2291310057 VBXXPHVUZXIPLB-HOTGVXAUSA-N 284.440 4.665 30 10 CJEE C=CCCCCCC[C@]1(OCC(=O)O)CCC[C@H](C)C1 2292419523 VOJJRXLTCMECDR-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1CC1(C)C)OCCN 2292942834 HSBFWBCGDLRUJH-SJORKVTESA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1CCC1(C)C 2292995583 ZQWADLVERRKKHF-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE 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263.469 4.765 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2341885421 OUHUDKAADGILDW-GXFFZTMASA-N 289.728 4.586 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2342325013 ADALDZDITHEPCK-DGCLKSJQSA-N 289.728 4.586 30 10 CJEE C=C[C@@H](CCCCC)OC[C@](C)(CC)CNC(C)C 2343158937 QRIIQZWWBADTOD-DLBZAZTESA-N 269.473 4.552 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1C[C@](C)(C=O)c1ccccc1 2343370201 ZUPKJJNLFBGFGP-UWWQBHOKSA-N 258.405 4.606 30 10 CJEE CC1=C(C)C[C@H](C[C@]2(C#N)CCCOC2(C)C)CC1 2343391183 YSYWQOZDPOIZCY-WBVHZDCISA-N 261.409 4.612 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1cccc(C(C)C)c1 2343607793 GPNPMOCBFGDQFA-SFHVURJKSA-N 251.373 4.523 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(C(F)F)c1F 2344341890 FWLJERTZJIBLAY-HZMBPMFUSA-N 271.326 4.626 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(F)c(Cl)c1)NCC 2344345914 PIIOQWYRWLKQJM-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(CCC)cc1 2344349635 VEWQPCNTWVXGRI-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)cc(OC)c1 2344356031 JYPNALSOQVSVEM-HZPDHXFCSA-N 281.827 4.602 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1(C(C)(F)F)CCC1)NCCC 2344357706 RWSQTTYRQDZELV-ZIAGYGMSSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCS[C@@]1(C(=O)O)CC[C@@H](C)C1 2351911762 HMAHLZQAXBELAF-ZBFHGGJFSA-N 284.465 4.890 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2ccc(F)cc2SC)CC1 2353817543 WPBFJFAXHGPUTB-LLVKDONJSA-N 278.392 4.867 30 10 CJEE C=CC[C@@H](C)Sc1cccc(OC)c1CN[C@@H](C)CC 2360379885 ZETYWCPQGNLSFP-UONOGXRCSA-N 293.476 4.640 30 10 CJEE C=C(Cl)CON[C@H](C)c1ccc(-c2ccccc2)cc1 2360458886 ISAKADVWMHHSHJ-CQSZACIVSA-N 287.790 4.688 30 10 CJEE CCCCCCCCCCCOc1ccc(C(N)=O)cc1 2512563 ORVFAKDBDUPTDO-UHFFFAOYSA-N 291.435 4.695 30 10 CJEE CSc1ccc(/C=C2/CC[C@H](C3CCCC3)C2=O)cc1 34870911 GLBIHCXXCXGIRI-MLRPBERTSA-N 286.440 4.961 30 10 CJEE N#CCc1cc(-c2ccccc2F)cc(C(F)(F)F)c1 47205213 KYIAMRWGZULJET-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2ccc(F)cc2)c(C)c1 57685724 DCIOQESHMSVIBF-MRXNPFEDSA-N 283.346 4.519 30 10 CJEE C[C@H](C#N)[C@@H]1CCCCC[C@@H]1c1ccc(N(C)C)cc1 62665687 OFLWFTNDVSBUID-FHLIZLRMSA-N 270.420 4.576 30 10 CJEE CCCC[C@@H](CC)COc1cc(C#N)c2ccccc2n1 68796605 IEUFQPKJLYSVNR-CQSZACIVSA-N 282.387 4.702 30 10 CJEE C=CCCCNc1ccc(Cl)c(C(F)(F)F)c1 71275401 MGEIRYPFKKGMRP-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE C=CCCCC(C)(C)[C@H]1CC[C@@H](C)C[C@H]1NCC 85157169 ABJQNFUPGHQIMO-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(C)ccc2OC)C1 87972923 CUNSWGMJTMIINF-QAPCUYQASA-N 271.404 4.656 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2cc(C)ccc2C)CC1 91882564 YWXKTZAONDHEFU-CUYAVPTFSA-N 285.431 4.837 30 10 CJEE CC[C@H]1CCCC[C@@H]1OCC(CC)(CC)CS 94583638 BTDLZHWUCBUEEA-KBPBESRZSA-N 258.471 4.708 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 97419445 ZXFRBPIRYQNGOU-RDBSUJKOSA-N 277.374 4.690 30 10 CJEE CN(CCCCCCCCCS)Cc1cccs1 97799217 VJBIMLCYICOXPW-UHFFFAOYSA-N 285.522 4.840 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cc(Cl)c(OC)c(Cl)c1 107536915 LOBIFOKVOWPADP-VHSXEESVSA-N 271.187 4.765 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(Br)ccc1F 107587766 FDRWUQRINITZBK-QWRGUYRKSA-N 283.184 4.741 30 10 CJEE CCCCCCCO[C@]1(CNCCC)CCC[C@H](C)C1 110067907 XFNCPQUQALFBDE-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCCO[C@H]1C[C@@H](C(C)C)CC[C@@H]1NCC 110081619 SSUWPRRORLKMII-BZSNNMDCSA-N 283.500 4.776 30 10 CJEE Cc1cc(Br)cc2c(C(C)(C)C)c(C#N)oc12 110162471 GEVRGMOLXJUEGZ-UHFFFAOYSA-N 292.176 4.673 30 10 CJEE CCCCN(c1ccc(C#N)c(Cl)c1)[C@H](C)CC 110256523 MNDIBHJJDYRXQA-GFCCVEGCSA-N 264.800 4.617 30 10 CJEE Cc1ccc(Oc2cccc(Cl)c2C#N)c(Cl)c1 110263105 UEUSKDZMSVOZAZ-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCC[C@H]1Cc2ccccc2[C@@H]1NC 111726686 RWQYOUAIGZPLHM-FUHWJXTLSA-N 259.437 4.870 30 10 CJEE CCCCCCCCCCCCN1[C@@H](C)CNC[C@H]1C 111904054 RYRMJDKCXVKSCY-HDICACEKSA-N 282.516 4.590 30 10 CJEE CCCCCCCCOCC[C@@H]1CCC[C@@H]1NCC 118779588 HNLUAVHFERSBIW-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](NN)C1(CC)CCCC1 122234761 ZAHSLPVNPIUPIU-INIZCTEOSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@H](NN)c1ccccc1CC 122430488 UEMYKXHTVGJGQP-KRWDZBQOSA-N 262.441 4.504 30 10 CJEE CCCCCCCCCCC[C@H](CCC1CC1)NN 123579610 QOQNEZGHZRHPGZ-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCCOC1 126689398 REJLXJRXYULJJO-ROUUACIJSA-N 298.515 4.556 30 10 CJEE Cc1cc(Nc2ccccc2C(C)(C)C)ccc1C#N 126896567 UHAXJXZRYAXMDJ-UHFFFAOYSA-N 264.372 4.908 30 10 CJEE CCCCCCCCCCC[C@H](N)[C@@H](C)CCOC 128390722 MOEWYLNLSXFJSD-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)CCO[C@@H]1C1CC1 131397011 REDBMVOCNPORKS-MOPGFXCFSA-N 295.511 4.778 30 10 CJEE Cc1ccc(Oc2nccc(C)c2C#N)c(C(C)(C)C)c1 135089597 RYDLAISRNXGOJI-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCCC[C@H](O)CCc1cccnc1 135560731 ATNGOTVCYYPASB-SFHVURJKSA-N 277.452 4.906 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H](C)OC 135635801 HINVTMDLLZGURK-HNNXBMFYSA-N 256.430 4.901 30 10 CJEE CCCCCCCC[C@@H](NCC)c1snnc1CCC 140300100 UNCZTTHVBCHGCB-CQSZACIVSA-N 297.512 4.892 30 10 CJEE Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C#N 160570922 CQAQOOXHWPOEHJ-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE N#Cc1ccc(CNc2ccc(F)c(Cl)c2)c(Cl)c1 162796331 LWUYKCKGUCFTHY-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCOc1cc(NCCC)nc(C(C)C)n1 163958680 MKIGGHKIQGTLTB-UHFFFAOYSA-N 293.455 4.771 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 185658619 MAFTWDLWCFWJLB-WMZOPIPTSA-N 285.431 4.651 30 10 CJEE CCCC1CCC(Nc2ccc(C#N)cc2C)CC1 203443280 YINLHMJXIIOIFW-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE N#C[C@@H](C1CCCCC1)C12CC3CC(CC(C3)C1)C2 216525183 LHPHKNNUOVATIN-UUMMVJRDSA-N 257.421 4.923 30 10 CJEE CC(C)[C@H](CC#N)N(Cc1ccccc1)Cc1ccccc1 217765478 WKCYWMUPRQMGKF-FQEVSTJZSA-N 292.426 4.627 30 10 CJEE CC1(C)CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccccc1Cl 226593872 PYHFDUJXZMVTFB-UONOGXRCSA-N 289.806 4.733 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](CC)OCC 227393365 VBCXDWXPGDKFRF-MRXNPFEDSA-N 256.430 4.901 30 10 CJEE C=CCC[C@H]1C[C@H](CC)CC[C@H]1CNCC(C)C 227523537 HGWYBEXMBQOFHT-IKGGRYGDSA-N 251.458 4.641 30 10 CJEE C=CCC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1 230671720 HUQQXEAYPGFACX-CYBMUJFWSA-N 290.407 4.800 30 10 CJEE CC(C)CC1(CNc2nccc(C#N)c2Cl)CCCC1 232583266 DCNXVOQIOINXOX-UHFFFAOYSA-N 291.826 4.625 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1F 235517396 BXFJQANUBIEMOC-VIFPVBQESA-N 292.716 4.663 30 10 CJEE Cc1ccccc1CCC(=O)C1=CCCCCCC1 235766506 WISTZLIUAKGWLF-UHFFFAOYSA-N 256.389 4.777 30 10 CJEE C=CCCCCC[C@H](N)c1cc(F)ccc1C(F)(F)F 236302695 FGAGHXAZBZIMPZ-AWEZNQCLSA-N 289.316 4.981 30 10 CJEE C=CCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 236316363 ORSAOLULPILSPN-GFCCVEGCSA-N 273.207 4.525 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@H](CS)C(C)(C)C 251518638 KIWYQOCBRZVJED-TZMCWYRMSA-N 299.911 4.925 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CSc3ccccc32)C1 252630366 ABEMLAMCHGISHL-KEYYUXOJSA-N 271.429 4.986 30 10 CJEE C#CCCC[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 252993226 GVAIHYHXKMYOFP-ZNMIVQPWSA-N 289.385 4.527 30 10 CJEE CCCCCCCCC[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)NN 253009964 RAKRUCFKDJWBNJ-WNRNVDISSA-N 280.500 4.785 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCCC[C@H]1C(F)(F)F 300137182 LGXBVIZHLWQVLY-CHWSQXEVSA-N 274.326 4.815 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300570604 DGXGUWXCJFJMIO-UXJCHEOYSA-N 263.469 4.747 30 10 CJEE CC(C)(C)CCC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 302305843 NTUNGGCXZANXHM-LBPRGKRZSA-N 298.213 4.996 30 10 CJEE CCCCCCCC[C@@H](CCC1(OC)CCC1)NC 311828542 FWEOZWPXBAFFHT-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCNc1cc(Cl)nc(C(C)(C)C)n1 312484486 UWTKSUPZPJZEPR-UHFFFAOYSA-N 295.858 4.976 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H](C)c2ccccc2)C1 316765195 DCVASDIUAGGHPG-JZXOWHBKSA-N 258.405 4.966 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C=O)CCc3ccccc3C2)C1 316812557 OMIIWLYJJNTKEK-GPMSIDNRSA-N 270.416 4.577 30 10 CJEE C=CCCCCC[C@@]1(CNC)CCC[C@H](CC)C1 317197384 NITXZSHOILWSOY-DLBZAZTESA-N 251.458 4.929 30 10 CJEE C/C(=C/Cl)CC1(C=O)CCC(C(C)(C)C)CC1 317370315 VTFRFNGLIGDCRA-BENRWUELSA-N 256.817 4.941 30 10 CJEE C=CCC[C@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 336976092 WOAPUIDJVCWJBT-KRWDZBQOSA-N 295.382 4.594 30 10 CJEE C[C@@H]1CC(=O)C=C(c2cccc(Cl)c2C(F)(F)F)C1 379010701 LTGQWAZOBMJPNJ-QMMMGPOBSA-N 288.696 4.741 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@@H]1CCCCC1(F)F 384818615 DTFDHEMQSCLKQA-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)c1ccnc2cc(Cl)ccc12 385065858 VFJJCEBMMBPLII-SJCJKPOMSA-N 284.790 4.860 30 10 CJEE CC(C)CNCc1ccc(SCCCCCC#N)cc1 385307422 MLOZJZIEXVNICM-UHFFFAOYSA-N 290.476 4.608 30 10 CJEE CCc1cccc(CC)c1NC[C@H](C#N)C1CCCC1 397179854 DTAJPRQVTFYDGY-KRWDZBQOSA-N 270.420 4.553 30 10 CJEE Cc1ccc([C@@H](C)N(C)C[C@@H](C#N)C2CCCCC2)s1 397209866 WEQBRKXYZAQDEI-GDBMZVCRSA-N 290.476 4.769 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2c(Cl)cccc2Cl)O1 400821690 QHJJPHPCVUPLJS-KBPBESRZSA-N 284.186 4.691 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H](CC)CC(F)(F)F 402560640 LCTUVOWBXZGHDA-OCCSQVGLSA-N 279.390 4.936 30 10 CJEE CCCCCCCCCC[C@]1(C(=O)O)C[C@@H](C)O[C@H]1C 686446193 DZKUJFMARKCBIP-VYDXJSESSA-N 284.440 4.786 30 10 CJEE C#CCCCCC[C@H](O)c1c(Cl)cccc1Cl 686674945 XWVZJZIINXAYNY-ZDUSSCGKSA-N 271.187 4.611 30 10 CJEE CCSc1cccc(NCCCC2CCC2)c1C#N 689015878 JMWCAUFZTJHWOW-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE CCC1(CC)CCCN(C[C@H](CS)c2ccccc2)C1 690466364 KAKLSFLGMNOPQO-QGZVFWFLSA-N 291.504 4.602 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccc2ccccc2n1 692233772 DYXLSCWGHOPXEH-ZBFHGGJFSA-N 266.388 4.782 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cccc(C(F)(F)F)n1 692253195 PUCQTWTZVVIWQZ-NWDGAFQWSA-N 284.325 4.647 30 10 CJEE CCCCCCCCCCC(=O)[C@H](OC)C1CCC1 692694072 OBJRYVUSSCMZNQ-QGZVFWFLSA-N 268.441 4.901 30 10 CJEE CCCCCCCCCNC[C@H](OC)C1CCCC1 692986293 OEPHHPPSSMTZIC-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCOc1nccc2c(N)cccc12 694663982 UUVOQPGWCIBPOI-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CC(C)NCc1cccc(S[C@H](C)CC(C)(C)C#N)c1 695775961 BJYHBKUZLJMYNH-CQSZACIVSA-N 290.476 4.605 30 10 CJEE CCCCCCCC[C@H](CCC(C)(C)CC)NN 696653216 BILCERVWQAAFRE-OAHLLOKOSA-N 256.478 4.785 30 10 CJEE CCCCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1NC 698762083 VTMKAZDDWPCPOC-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE CCCCCCC[C@H](NN)[C@@]1(C)CC[C@@H](C)C1(C)C 699110197 QSFRMZUSSZYUHK-HLLBOEOZSA-N 268.489 4.641 30 10 CJEE CCCCCCC[C@H](NCC)c1csc(CC)n1 702456638 QNQZCTGITAKNCF-ZDUSSCGKSA-N 268.470 4.717 30 10 CJEE CCC[C@@H]1CCCCN(c2ccc(C#N)c(Cl)c2)C1 703206967 VTJNFBAUEHTNAZ-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE CCC[C@@H]1CCCCN(c2cccc(Cl)c2C#N)C1 703215558 AFVLCYJRNAWLOG-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE C=CCCC(C)(C)CNc1cccc(Cl)c1C#N 703982276 FQUZQLQUDCYZMV-UHFFFAOYSA-N 262.784 4.616 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC(C)(C)C[C@H]1C 704038449 PBGLBUSDMXUDFF-CABCVRRESA-N 251.458 4.783 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CC1(c2ccccc2)CC1 704066107 SHABQKBBEAEWIB-YJBOKZPZSA-N 253.389 4.828 30 10 CJEE Cc1cc(C#N)cnc1Sc1ccc(C(C)(C)C)cc1 709796685 CPJYPDKMENCONH-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE C#CCCCCC[C@H](NCCC)C12CCC(CC1)CC2 710119014 VTQDRXFTZPQNSF-XBMUEBEBSA-N 275.480 4.909 30 10 CJEE C#CCCCCC[C@H](NCC)C12CCC(CC1)CC2 710174490 XALOFBZCCPQDMM-ADKAHSJRSA-N 261.453 4.519 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CC(C)(C)OC2(C)C)C1 711332406 BSZMAXYOJOKYHP-RKVPGOIHSA-N 280.452 4.756 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCC3(CCC3)O2)C1 712398104 OPFZBEQKVJRVIG-BZUAXINKSA-N 261.409 4.588 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C(CC)(CC)C(F)(F)F 715707008 VAQXCPNTUWFAPQ-NWDGAFQWSA-N 265.363 4.545 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cccc(C(F)(F)F)c1F 715752765 LEGINLDOQMWFMF-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE CC(C)C(C)(C)CS[C@H]1C[C@H](C)CC[C@@H]1C#N 718826341 OTKGHZMFIBEZIN-MCIONIFRSA-N 253.455 4.730 30 10 CJEE C=C1CCC(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)CC1 1129624253 NPGJQXUKHQEFPE-OALUTQOASA-N 297.442 4.528 30 10 CJEE C#Cc1ccc(CN(CC)[C@@H](CC)Cc2ccccc2)cc1 1180058122 NTBMXBRILFEBRV-NRFANRHFSA-N 291.438 4.511 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC[C@H](C)CC(C)(C)C)C1 1202018809 UJJXJIFKADFMMS-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=C(CC)CNC(=O)Nc1ccc(CCCCC)cc1 1214332340 CECGHYNDBXQEIE-UHFFFAOYSA-N 274.408 4.507 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCCCC2(C)C)CCCCC1 1230183817 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1473299834 SSXNQTPDBJVGHH-IBGZPJMESA-N 271.448 4.830 30 10 CJEE C=CCCCC[C@@H](C)Nc1cncc(Br)c1C 1474726526 SIVDMNTXLQYNQP-LLVKDONJSA-N 297.240 4.699 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCCC[C@H]1C 1521557279 WOEONWRIMBSPBU-AEFFLSMTSA-N 291.479 4.798 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@H](C)CCCCC)c1 1528444940 IIXXXWQACSTTRR-MRXNPFEDSA-N 285.431 4.627 30 10 CJEE C=CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2)s1 1529876344 DQVSANKGRANGHS-UHFFFAOYSA-N 299.439 4.634 30 10 CJEE C=CCC1(CNC(=O)c2sccc2C(C)C)CCCC1 1532537761 DFXZRZOKFKJFDU-UHFFFAOYSA-N 291.460 4.738 30 10 CJEE C#CCCCC(=O)O[C@@H](CC)c1c(Cl)cccc1Cl 1534172897 VRGQBZFEMZSZQK-ZDUSSCGKSA-N 299.197 4.791 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccccc1CC)c1ccccc1 1536283858 YNCCBRSBRPHVQZ-LJQANCHMSA-N 293.410 4.686 30 10 CJEE C=CCCCC(=O)N1CCCC[C@H]1CCCc1ccccc1 1536440674 WMKSDCHIFAGTAV-IBGZPJMESA-N 299.458 4.747 30 10 CJEE C=CCC[C@@H](C(=O)NCC(C)(C)C1CCC1)c1ccccc1 1543566327 DAKZDMLTLYSELR-GOSISDBHSA-N 299.458 4.679 30 10 CJEE 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CC1(C)CCCC[C@@]1(C#N)[C@@](C)(O)c1ccc(Cl)s1 2117018952 FLPADUHUIQYOOX-GJZGRUSLSA-N 297.851 4.719 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](NCCC)C[C@H]1OC 2119427290 BMCTYFIFFXMXDZ-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE C#Cc1ccc(N[C@@H](C)[C@@H]2CCCC(C)(C)C2)cc1 2120716530 AMWWBUQYCUKAAT-GOEBONIOSA-N 255.405 4.685 30 10 CJEE C=CCCCC[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O 2123084448 LGHKMJHCUXZUMA-KURKYZTESA-N 258.405 4.678 30 10 CJEE C=CCCCC[C@H](NCCC)c1ncoc1C(C)C 2123086312 RPOYVQIIKWQHMH-AWEZNQCLSA-N 264.413 4.585 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)C2[C@@H]3CCCCC[C@@H]23)CC1 2125180110 HWBGWUPCAYYNAH-FVQBIDKESA-N 260.421 4.764 30 10 CJEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccncc2Cl)CC1 2125221242 BLQSWVIHCSIYQN-GFCCVEGCSA-N 277.795 4.690 30 10 CJEE C=C1CC(C[C@]2(CNCC)CCCCC23CCC3)C1 2125742300 NTQVERWFQNYXDY-SFHVURJKSA-N 261.453 4.683 30 10 CJEE CCCCCCC[C@@H]1COC(C)(C)C[C@H]1NCCC 2129654261 QQOBOOMXKSSVHY-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CC1(CNC[C@@H](CC)CC(F)(F)F)CCCCC1 2132984344 ZWMFIZROEQNOPE-ZDUSSCGKSA-N 277.374 4.691 30 10 CJEE CCCCCCCCCCNC[C@H]1C2C[C@@H]3C1[C@@H]3C2 2134344405 VZWDKNWTHWOQID-RGUZKJPTSA-N 263.469 4.619 30 10 CJEE C=CCSc1ccccc1NC[C@H]1C[C@@H]2CC[C@@H]2C1 2134950604 SHLAXDRWBWJVRN-QKDCVEJESA-N 273.445 4.813 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@H]2C[C@H]2C2CCCC2)C1 2135328615 RBEXNTPQTUMKKZ-BZSNNMDCSA-N 261.453 4.537 30 10 CJEE CCCCCC#CC[C@]1(C(=O)O)CCCC(C)(C)C1 2138952065 FLXPVSHNRGNJQS-KRWDZBQOSA-N 264.409 4.631 30 10 CJEE CCCCC#CC[C@@H]1CCC(C)(C)[C@@H](NCCC)C1 2138987331 ZVTWECKKKHQFON-SJORKVTESA-N 263.469 4.765 30 10 CJEE C=CCCCCCC[C@]1(N)CCC[C@@H](P(C)(C)=O)C1 2141906273 TVXVVPZCOJUXNN-CVEARBPZSA-N 285.412 4.776 30 10 CJEE C=CCCCCCC[C@H](O)CSc1cccc(C)c1 2141907758 ICJWPCHNOLVRLB-INIZCTEOSA-N 278.461 4.975 30 10 CJEE C=CCCCCCCNC[C@@H]1C(F)(F)C12CCCC2 2141923764 WWOAQNZRPXBNFQ-AWEZNQCLSA-N 271.395 4.538 30 10 CJEE C=CCCCCCCC1(C(=O)O)CC2(C1)CC21CC1 2142001288 GLHIXRXWMIIJMG-UHFFFAOYSA-N 262.393 4.548 30 10 CJEE C=CCCCCCCCCC(=O)CCCCNCC 2142403752 FFHJMEYEACQCBL-UHFFFAOYSA-N 267.457 4.642 30 10 CJEE C=CCCCCCCCCCC(=O)Cc1cncs1 2142441961 QAKJKAMLEKFQCD-UHFFFAOYSA-N 279.449 4.952 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1[C@H](C)C1(F)F 2142453247 PIECNVQRPJZJCI-SOUVJXGZSA-N 273.411 4.782 30 10 CJEE CCCCCCCC[C@@H]1NC[C@@]2(CCCC[C@@H]2C)O1 2142460182 BYUMLSDYWCTPQU-GVDBMIGSSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](O)c1cc(C)c(C)s1 2143401969 GLGCBFTUTUSYEN-NVXWUHKLSA-N 297.508 4.866 30 10 CJEE CC(C)c1ccccc1C[C@@](C)(C#N)c1ccccc1 2144049729 KJRUNTBNHYUHCN-IBGZPJMESA-N 263.384 4.834 30 10 CJEE C=CCCCCC[C@@H](NN)c1ccccc1C1CCC1 2145755887 GXPIOXMETPRDGP-GOSISDBHSA-N 272.436 4.595 30 10 CJEE CCC[C@H]1CCSC(=NCC2(C3CCCCC3)CC2)N1 2146406464 YRHHXHZHPSNOST-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE CCCCCCCCC(=O)[C@](C)(O)c1ccccc1C 2147034814 PZLDPJPMCJWVFR-GOSISDBHSA-N 276.420 4.522 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](O)C1(C(C)C)CC1 2148585701 DZMOJRUFGPGBMP-DLBZAZTESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](N)[C@H](O)c1csc2ccccc12 2148587652 MCRXRXZJSDSILR-NVXWUHKLSA-N 291.460 4.623 30 10 CJEE CSc1cccc(N[C@@]23CCCC[C@@H]2CCC3)c1C#N 2149146973 VAHIWBXVOLYIRI-CXAGYDPISA-N 286.444 4.805 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccccc1C1(C)CC1 2149594728 DZWAFDCKMDYPSI-UHFFFAOYSA-N 262.356 4.662 30 10 CJEE C(#CC1CCCCC1)CN[C@@H]1CCC[C@H]2CCCC[C@@H]21 2149864417 KMRCVHLILWEKDZ-CEXWTWQISA-N 273.464 4.519 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccnn1C(C)C 2150683402 GPADVWQXKRKPNM-MRXNPFEDSA-N 277.456 4.641 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Cc2nc3c(s2)CCCC3)C1 2151238382 BDLCVWCOVRHZNG-DYVFJYSZSA-N 288.460 4.675 30 10 CJEE C=C([C@@H](COc1ccc(Cl)cc1)NCCC)C(C)(C)C 2152949833 DIXVKXQNLILCAW-MRXNPFEDSA-N 295.854 4.689 30 10 CJEE CCCCCCCCCCC(=O)[C@]1(O)CCC12CCC2 2154977464 PSSMKLFOJUCGAL-GOSISDBHSA-N 280.452 4.782 30 10 CJEE CCCN[C@]1(C#N)C[C@H](SC2CCCC2)CCC1(C)C 2155400022 IDJCMWKGIWWSKM-WBVHZDCISA-N 294.508 4.503 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2ccc(F)cc2F)CC1 2157107155 QTFHFYCZJJWHKT-QGZVFWFLSA-N 280.358 4.683 30 10 CJEE C[C@H](N(C)c1ccc(Cl)cc1C#N)C12CCC(CC1)C2 2157594498 YOTWJGGTELDMMC-POZPTJLLSA-N 288.822 4.617 30 10 CJEE C[C@@H]1CC[C@@](C#N)([C@]2(O)CCCC3(CCCCC3)C2)C1 2158600435 LSNYDUJTTOPAAJ-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccnc(SC)n1 2158985746 CEHYZBOVSAJPSS-AWEZNQCLSA-N 295.496 4.600 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@@H](C)C[C@H]1OC 2161983319 DPJAZBNWRYTAGG-IIAWOOMASA-N 291.460 4.580 30 10 CJEE CC1(C)CCC[C@@](C#N)(c2nsc(C(C)(C)C)n2)CC1 2163474171 MPJKBDGEWBKMRF-MRXNPFEDSA-N 291.464 4.587 30 10 CJEE C=CCOc1ccccc1C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 2163966575 AJEOHOIVWMFKSL-RBSFLKMASA-N 272.388 4.506 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(OC(C)C)cc1 2164142411 ZGHVOTKKDFBGLD-GOSISDBHSA-N 275.436 4.871 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc2c1CCC2 2164263503 DZYPKTRFSZKVQE-DNVCBOLYSA-N 271.448 4.818 30 10 CJEE C=CC1(CC(=O)c2cccc(OC(F)(F)F)c2)CCC1 2168017119 MLNVQBGMEZQWLV-UHFFFAOYSA-N 284.277 4.514 30 10 CJEE CC1(C)CCC[C@H]([C@@](C)(O)CC#CC2CCCCC2)C1 2168568812 MAOWAMQCTFXZSD-HKUYNNGSSA-N 276.464 4.928 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(O)CCCCCCCC1 2168743190 KHPNFWYFWWTILZ-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C2(O)CCC(C)(CC)CC2)C1 2171438067 WZZRKLLSIKNUOI-ZLZJIPBDSA-N 277.452 4.818 30 10 CJEE N#C[C@@H](CN1CCCC[C@@H]1c1cccs1)C1CCCC1 2171831357 UUVVAROYBJNASA-JKSUJKDBSA-N 288.460 4.605 30 10 CJEE C#CCCCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC1CC1 2173497622 NKXXRBDJEXZDOJ-KSZLIROESA-N 275.480 4.621 30 10 CJEE N#C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCCC12CC2 2173630037 RUEAPVFINMOSCL-OAHLLOKOSA-N 279.305 4.821 30 10 CJEE CSc1ccc([C@H](O)[C@@]2(C#N)CCCCC2(C)C)cc1 2173637580 YTODYNVUWSTIRL-RDJZCZTQSA-N 289.444 4.552 30 10 CJEE C#Cc1cccc(CN[C@H](CC)c2ccc(Cl)cc2)c1 2175894403 HBOBULJGHYYCQL-GOSISDBHSA-N 283.802 4.562 30 10 CJEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cccc(F)c1Cl 2176159411 GRUBJEKBMYEJIC-GDBMZVCRSA-N 295.785 4.623 30 10 CJEE C[C@@H](CNc1cc(Cl)c(C#N)cc1F)c1ccccc1 2177391081 YPROREZOPWAJLC-NSHDSACASA-N 288.753 4.566 30 10 CJEE CCCCCCCCC[C@@H](N)C12CC(C)(C1)OC2(C)C 2178388525 WYYXVCVNDMTIQA-FAEJEUNOSA-N 281.484 4.802 30 10 CJEE CCCCCCCCCC[C@@H](O)C(C)(C)[C@@H](N)C1CC1 2179406557 OGAOASLEUCRXJT-SJORKVTESA-N 283.500 4.642 30 10 CJEE C=CCCCC[C@H](NC)c1ccc(F)c(C(F)(F)F)c1 2179681358 SHJIDGXUWQSTMA-AWEZNQCLSA-N 289.316 4.851 30 10 CJEE CO[C@]1(C(=O)C2=CC[C@H](C(C)C)CC2)CCC[C@@H](C)C1 2181664020 WGKFDKUVUPZKOZ-RVKKMQEKSA-N 278.436 4.533 30 10 CJEE CCO[C@H](C(=O)C1=CC[C@@H](C(C)(C)C)CC1)C(C)(C)C 2181672927 JGDSPRVANKPURD-GDBMZVCRSA-N 280.452 4.779 30 10 CJEE C=C1CC([C@@H](NCC)c2ccc3ccccc3c2F)C1 2182112111 ULVVIGDVZOKOPG-GOSISDBHSA-N 269.363 4.596 30 10 CJEE C=C1CC(C[C@@H](NCCC)[C@H]2CCCc3sccc32)C1 2182175592 VQXOWYDJGWVWRR-DOTOQJQBSA-N 289.488 4.893 30 10 CJEE C=CC[C@](C)(NCc1[nH]c2ccccc2c1Cl)C(F)F 2182188287 YRMBDMUKYXOHMK-HNNXBMFYSA-N 298.764 4.511 30 10 CJEE CCCC1CCC([C@](C)(O)[C@@](C#N)(CC)C(C)C)CC1 2184375436 QTNWAHPMWDDBHK-ZGUYJTEBSA-N 279.468 4.920 30 10 CJEE C=C(C)CN(c1ccc(Cl)cc1CNCCC)C(C)C 2186467936 ALNPWRRXJIXZKL-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=CCSc1ccccc1NCC1CC2(C1)CC2(F)F 2187439723 TUCKMHPFNNCRAT-UHFFFAOYSA-N 295.398 4.812 30 10 CJEE CCc1ccc(C#N)c(N[C@H]2CCCCC23CCC3)c1 2188838208 ADFWDDLPSJCEOP-KRWDZBQOSA-N 268.404 4.645 30 10 CJEE C=CC1(CN[C@@H](C)CCc2cccc(C)c2)CCCC1 2189511898 PIPKLWBQKWNJOE-KRWDZBQOSA-N 271.448 4.652 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@H]2CC3(CCCCC3)O2)C1 2189581101 CQWXMVCSHBULEY-DOTOQJQBSA-N 275.436 4.978 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cc(F)c(F)c(F)c2)CC1 2194697578 PBBIVHYAQMAHQQ-NSHDSACASA-N 283.337 4.501 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CC2CC3(C2)C(F)(F)C32CC2)C1 2195062314 KZLAVZHVCIDQLO-RXFTYZNJSA-N 279.374 4.922 30 10 CJEE C[C@@H]1CCC[C@@]1(C=O)CC1CC2(C1)C(F)(F)C21CCC1 2195158105 FVXOQFJMRUIASY-RXFTYZNJSA-N 282.374 4.597 30 10 CJEE CCCCCCCC[C@H](CC1(CCOC)CC1)NCC 2195245776 VCXQMULLMKZYJQ-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCN1[C@H]2CC[C@H]1CC(OC)C2 2195677857 XCZJONLVASJLQI-IRXDYDNUSA-N 281.484 4.769 30 10 CJEE CCCCCCCCCCCCN1CCN(CC)C1=O 2195916469 SZBAZUVNCWDIAS-UHFFFAOYSA-N 282.472 4.665 30 10 CJEE CC#CCCCC[C@H](NCCC)C12CCC(CC1)CC2 2196173107 YWCPNSMECYKJNR-XBMUEBEBSA-N 275.480 4.909 30 10 CJEE CC#CCCCC[C@@H]1C[C@@H](NCCC)CC2(CCC2)C1 2196173997 JHVVNJQJPLIYTA-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CC#CCCCC[C@H](NCCC)C(CC)(CC)OCC 2196174412 NIXSAWUHCXVPJO-KRWDZBQOSA-N 281.484 4.534 30 10 CJEE CCCCCCCCN(C)c1cccc(F)c1C(C)=O 2196712124 VWNBWUKZZALFNH-UHFFFAOYSA-N 279.399 4.825 30 10 CJEE C#CC[C@@H](COC1CC2(CCC(C)(C)CC2)C1)C1CC1 2196716946 QBCRUQPWLNWJKM-INIZCTEOSA-N 274.448 4.802 30 10 CJEE CCCCCCCN(C)[C@H](c1ccc(C)s1)[C@@H](N)CC 2196730398 VVPWFDZMAIIXLS-RDJZCZTQSA-N 296.524 4.737 30 10 CJEE C#CCCCN(C)C(=O)CCCCCCCCCCC 2196767415 XWMXRUZBXHTQHA-UHFFFAOYSA-N 279.468 4.779 30 10 CJEE C=C1CC([C@H](C[C@@H]2C[C@H]2C2CCCCCC2)NCC)C1 2200369853 UAFMKQUQUWXBET-WDSOQIARSA-N 275.480 4.927 30 10 CJEE CN(C[C@H](CS)CC1CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2201139386 AAKYUDQNUHPPJE-ZJPYXAASSA-N 295.536 4.623 30 10 CJEE CCCCCCC[C@H](O)[C@H](N)C[C@H]1CCCC(C)(C)C1 2203138873 JQCKGSUTAJXMHA-ZACQAIPSSA-N 283.500 4.642 30 10 CJEE C#C[C@@H](N[C@H](CC)CC1CCCCC1)C1CCCCC1 2203800182 HKUNIDANDHTPBJ-RTBURBONSA-N 275.480 4.907 30 10 CJEE CCCC#CC[C@H](NCCC)[C@H]1C[C@H]1C1CCCCC1 2203806065 ADKCRDBQZYPUOF-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE CCCC#CC[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 2203818858 IYAJCPYYGNSXSR-QRVBRYPASA-N 277.496 4.868 30 10 CJEE CCCC#CC[C@H](C[C@@H](C)c1ccccc1)NCCC 2203819098 KLFKHGQXUMVAEJ-IEBWSBKVSA-N 271.448 4.742 30 10 CJEE CCCCCC#CCC(=O)C1(OC)CCC(C)(C)CC1 2203885011 WXLHDBNSWSODFR-UHFFFAOYSA-N 278.436 4.515 30 10 CJEE C#CCCCCCNC(=O)CCCCCCCCCC 2206329959 LQBKRWSQMYYOTG-UHFFFAOYSA-N 279.468 4.827 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1CCOC1(C)C 2206886254 QIMFMQIICVZBDM-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@]1(CNCCOC)CC[C@H](C)C1 2206892796 UPWWEMFNOQETLS-ROUUACIJSA-N 281.484 4.555 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCCc2nc(C)sc21 2206897057 KODZXAZVELJKLS-MRXNPFEDSA-N 292.492 4.897 30 10 CJEE C=CCCCCCC[C@H](CCOc1ccccc1)NC 2206903721 UXUMOTFPIZGFPD-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[C@@H](COC)CC1=O 2207374043 OGVJYJGVCYFMDF-IAGOWNOFSA-N 280.452 4.925 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CCO[C@H](C(C)C)C1 2207403267 HKJDTACCRUZZLC-ZWKOTPCHSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@H](O)CCC 2207407463 DBPIMLRKQZNNPU-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1CCC(F)(F)C1 2207437942 QAECWHXUKHDBGL-HUUCEWRRSA-N 288.426 4.561 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1ncc(Cl)n1C 2207441750 KHEBTLVVRCAJNV-CQSZACIVSA-N 297.874 4.641 30 10 CJEE C=C([C@H](NCC)[C@@H](O)CCCCCCCC)[Si](C)(C)C 2207444109 GRTMQARFGCLCSW-IRXDYDNUSA-N 299.575 4.510 30 10 CJEE CC=CCCC[C@@H](NCC)[C@H](O)CCCCCCCC 2207444196 HJZVNGVORBYILF-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCN(CCCN)C(C)(C)CC 2207450369 UKEXEWJTVKGIOW-UHFFFAOYSA-N 282.516 4.743 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCCSCC1 2214620488 BMOQXHVABLYOAD-OAHLLOKOSA-N 255.471 4.518 30 10 CJEE C=CCCCCC[C@@H](N)c1sc(C)c(C)c1C 2215534552 AAPVQYLCBOZHAH-CQSZACIVSA-N 251.439 4.810 30 10 CJEE C=CCCCCCCCN1CCC(CSC)CC1 2220095359 FKJVPDBTUINZSA-UHFFFAOYSA-N 269.498 4.588 30 10 CJEE Cc1c(F)ccc(C(=O)C2=CC[C@@H](C)CC2)c1Cl 2220121118 SMMBSNQFFFHJSP-SECBINFHSA-N 266.743 4.717 30 10 CJEE C=C([C@@H](CCCC(C)(F)F)NCCC)[Si](C)(C)C 2222275430 IZDMGEIGRSVDEM-CYBMUJFWSA-N 277.475 4.614 30 10 CJEE CCCCCCCCCCOC[C@@H](C#N)C(C)C 2223220738 GLYFQHXKHBWFQR-MRXNPFEDSA-N 253.430 4.939 30 10 CJEE C=C[C@@](C)(CN[C@@H](C)CC)CC1(C)CCCCC1 2223562141 VLQPRCZJXQYRBR-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@@H]1CCCC(F)(F)[C@@H]1NC 2227285646 GDQFGHNJWAWLAO-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE CCCCCCCC[C@H](CC1(C)CC(C)(C)C1)NN 2228356607 CBPNIRAEQWLKTA-OAHLLOKOSA-N 268.489 4.785 30 10 CJEE CC1=CCC[C@H](CC2(C)CC3(CC(F)(F)C3)C2)C1=O 2230574788 HFPFRGIHDHUOPI-GFCCVEGCSA-N 268.347 4.518 30 10 CJEE CCCCCCCCCO[C@@H](C)CN[C@H](C)CCC 2231014897 HCTBBTYICGBVCN-SJORKVTESA-N 271.489 4.920 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cc(Cl)ccc1F 2231534531 BKJSLQGXOHUNDT-LRDDRELGSA-N 283.818 4.602 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@]1(C)CCCOC1 2231904668 ZJCYMPJWYMFBQI-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)c1ccccn1 2231923536 BUUICDSZHQFCTD-HZPDHXFCSA-N 262.441 4.871 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)C(C)(C)CC 2231934266 GCXZNGYUYLLHJX-DOTOQJQBSA-N 271.489 4.512 30 10 CJEE O=CC1(Cc2ccc3occc3c2)CCCCCC1 2232381652 MCUQKRNABMOCDQ-UHFFFAOYSA-N 256.345 4.515 30 10 CJEE C=CCC[C@@H](C)[C@H](CCc1cccc(F)c1)NCCC 2232800458 BUAXLBHKJZIUBC-QAPCUYQASA-N 277.427 4.729 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233634181 HSMPKRBARANCTC-QTMHVTGLSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCO[C@@]1(CN)CCCCC1(C)C 2235518431 GPUCKFFNPCLLPE-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CCCOCC1)NC 2235520233 XJXWTQMLHDTBKZ-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H](CN)C(C)C 2235523538 GXZHMYMRXLGDAP-ZWKOTPCHSA-N 282.516 4.502 30 10 CJEE C=CCCCCCCCC1(CNCCC)CC(OC)C1 2235524623 RWNBCCRFBHWDGC-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC(=O)[C@]1(O)CCC[C@@H](C)[C@H]1C 2235525604 CAHCOUWFUVOPFV-NUJGCVRESA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCn1cc(CO)c2ccccc21 2235540682 ZMXOHZUTOJYGLG-UHFFFAOYSA-N 271.404 4.660 30 10 CJEE CN(C[C@@]1(C)CC=CCC1)c1cc(Cl)c(C#N)cc1F 2237294732 DLEJGFYBAJWAKM-INIZCTEOSA-N 292.785 4.533 30 10 CJEE CO[C@@H]1CCC[C@](C=O)(CCCCCCCC2CC2)C1 2239313631 BJTQIEWQHAZNRR-QZTJIDSGSA-N 280.452 4.901 30 10 CJEE CCCCCCCOCC1(CNC(C)(C)C)CCCC1 2239369425 APUKFCCHYSRVCL-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE C=C(COCCCCCCCCCCC)C(=O)OCC 2239492040 GZGKFIYHVNIWLW-UHFFFAOYSA-N 284.440 4.653 30 10 CJEE CCCCCCCCCOCc1cc(C#N)ccc1F 2239509689 GTIAHSOQXTVQEU-UHFFFAOYSA-N 277.383 4.965 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H](C(C)C)N(C)C 2240644772 NACBWZBEWOGCFJ-ROUUACIJSA-N 284.532 4.691 30 10 CJEE CC=CCCC[C@@H](NC)[C@@](C)(O)CCCCCCCC 2240653376 FWMXMVSTOIUEAF-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCOC2(CCC2)C1 2240667395 VXFUAIJMVUAHDE-SJORKVTESA-N 281.484 4.817 30 10 CJEE CCCN(CC=CC#CC(C)(C)C)Cc1ccccc1 2241573390 HGCFMYHQVIGIFQ-UHFFFAOYSA-N 269.432 4.504 30 10 CJEE C[C@H]1CC[C@H](CSCC2(CS)CCCC2)C1 2243694149 XDRRKFYXSOZLMW-STQMWFEESA-N 258.496 4.646 30 10 CJEE C=CCCCS[C@@H]1CCCCCCCC[C@@H]1N 2250018500 JMHIKNOFUFAMLW-LSDHHAIUSA-N 255.471 4.516 30 10 CJEE C[C@H](CC(C)(C)C#N)SC[C@H]1CCCCC1(F)F 2256090648 FTTCJARORKTHPN-VXGBXAGGSA-N 275.408 4.873 30 10 CJEE CCCCCCC[C@@H](O)c1nccc2sccc12 2256803902 LYCSLNZLBZULPF-CYBMUJFWSA-N 263.406 4.690 30 10 CJEE C=CCCCCCCCSC[C@H]1CCC[C@H](N)C1 2259047847 AAULYQZNFCBYQN-HOTGVXAUSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc(Cl)cc1F 2259195964 BNCYZRSXVZUCDK-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@]1(C)CCCSC1 2259211097 JEYBQCHFJFEQBY-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)CC)OCCN 2262523720 JOKIOXCLKVJIPD-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCC(CS)(CCC)CN1[C@H]2CCC[C@@H]2C[C@H]1C 2265445871 AUWKMEWJRZMCOE-OAGGEKHMSA-N 283.525 4.766 30 10 CJEE CCCCCCC[C@@H](O)Cc1cc(OC)ccc1Cl 2269029806 MJUTXAYHUKABHA-CQSZACIVSA-N 284.827 4.613 30 10 CJEE CCCCCCCCC[C@H](N)C[C@H]1C[C@]1(C)COC 2269214851 BCZQAEDSDNFBNA-YESZJQIVSA-N 269.473 4.517 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@@]1(C#N)CCCOC1(C)C 2269485463 QNSQIGSTHCJPGJ-INMHGKMJSA-N 263.425 4.692 30 10 CJEE C=CCCS[C@H](C)[C@H](NCCC)c1ccc(C)cc1 2271591031 OQNQGUZKLRHICA-WBVHZDCISA-N 277.477 4.734 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1C[C@@H]2[C@@H](C1)C2(C)C 2271781187 MSSYEHOFCXIKIP-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)cc1)NCC 2271790790 HPJSUSAWENJCCG-KRWDZBQOSA-N 279.855 4.997 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C(F)(F)CC1CC1 2271793514 XILHEFJIRBITFK-OAHLLOKOSA-N 273.411 4.927 30 10 CJEE C=C(CC)C[C@@H](OCCCN)c1cc2sccc2s1 2276330205 IJMOUYNOAJZSJE-GFCCVEGCSA-N 295.473 4.726 30 10 CJEE CCCCCCCC[C@@](C)(CC=C(C)C)OCCN 2276331243 MYJSHLDCEAIEGE-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@@]1(OCCCN)CC[C@H](CC)C1 2276756132 PPDVJTABOYOHGA-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCC[C@H]1C1CC1 2277499743 AYONKFPTLAMCCZ-IRXDYDNUSA-N 283.525 4.767 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@](C)(CN)CCC 2278169518 QVIVMBMYDFDWLT-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE N#CC1(C[C@@H]2CC(F)(F)C23CCC3)CCC(F)(F)CC1 2280997252 GCMGNSIVXODYMI-LLVKDONJSA-N 289.316 4.921 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccccc2OC(F)F)C1 2282928120 MBFPPYNXBHGFND-WBMJQRKESA-N 279.330 4.551 30 10 CJEE CCCc1ccc(C[C@@]2(C#N)CCCC(F)(F)C2)cc1 2283538048 TZSZNDSOOBRKBF-INIZCTEOSA-N 277.358 4.901 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@H](OC)C2CCCC2)C1 2283991395 AKXKUDVGZPMIDI-SIXLDLHFSA-N 295.492 4.643 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CCC[C@H]1C(C)C 2284156694 APVQLUMMELFUAO-RCCFBDPRSA-N 275.480 4.643 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H]1C[C@]1(C)COC 2284689682 HVVYCNRTRHGHCJ-OKZBNKHCSA-N 283.500 4.778 30 10 CJEE CC(C)CCC[C@@H](C)CCOc1c(F)cccc1C#N 2284892790 UHDLXFARILWPHM-CQSZACIVSA-N 277.383 4.929 30 10 CJEE CCCCCCCOC(=O)CCCCCCCCCN 2284946194 ORERASYHWVGNHO-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE C=CCC(C)(C)Nc1cccc(C(F)(F)C(F)(F)F)n1 2286756192 RUYOFEQJKYPWGP-UHFFFAOYSA-N 294.267 4.502 30 10 CJEE C=CCCCCCCCSCC[C@](C)(C#N)NC1CC1 2287097557 XGHRJUVQXYZMPS-QGZVFWFLSA-N 294.508 4.671 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C2CC2)CCS1 2287882534 BXNHLTMETNACCE-GOEBONIOSA-N 296.524 4.700 30 10 CJEE C=CCC1(OCC[C@@H](C)CCCC(C)C)CCNCC1 2287968261 YTCCIAUTWGGHQH-KRWDZBQOSA-N 281.484 4.554 30 10 CJEE CC(C)CCC[C@H](C)CCO[C@H]1C[C@@H](C)CCC1=NO 2287968897 XOWYVXLKULSGQR-ZOBUZTSGSA-N 283.456 4.874 30 10 CJEE CN(C[C@@]12CCCC[C@H]1CC2)c1ccc(C#N)cc1Cl 2289084060 MHMZIIGCMDUADR-YOEHRIQHSA-N 288.822 4.618 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cccc(C2CCCC2)c1 2289273769 XLAPUGBKQXMYMF-MRXNPFEDSA-N 270.420 4.942 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1CCCC[C@H]1CC 2289614141 KFBDHERISFITJS-CEXWTWQISA-N 275.480 4.765 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@H]1CCCC[C@@H]1CC 2289614619 AMJLQJCBHDRVPA-GBESFXJTSA-N 275.480 4.765 30 10 CJEE C=C(CC)C[C@@]1(OCC(=O)O)CCC[C@@H](CCC)CC1 2291151920 FRHGXVHEEFNDLL-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@]1(OCC(=O)O)CCC1(C)C 2291718353 CDSMSQZGUUCMJE-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@](C)(C[C@H]1C[C@H](F)C1)OCCN 2293344098 AHLBKGTWZWOSHX-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE CCCCCCC[C@@H](OCCN)c1sccc1OCC 2294009428 QBGPKLXPTPMZNU-CQSZACIVSA-N 299.480 4.524 30 10 CJEE CCOc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2294299951 FQKHUBLVPCQPBQ-UHFFFAOYSA-N 286.758 4.635 30 10 CJEE CCCCCCCC[C@]1(OCCN)CC[C@@H]1CC(C)C 2294592565 UYBYJFDNJWYRQH-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@@H]1CCCNCC1 2295533103 DFUXEPZAKKEWGK-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1CCC[C@H]2O[C@@H]12 2295592247 OURWUYSAVVDITG-MHORFTMASA-N 282.468 4.836 30 10 CJEE C=C(C)[C@H](NCCC)[C@](C)(O)CCCCCCCCC 2295679579 QSFULZBTQPHCMM-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)NC1CCC(C)(O)CC1 2295684325 KQWUDEQWFZDJIR-WWDZGPRUSA-N 283.500 4.799 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1C[C@H](C)C[C@](C#N)(NC)C1 2295712155 VCDQFJFMWGCVIH-NXOAAHMSSA-N 296.524 4.606 30 10 CJEE C=CCC(CC=C)C[C@H](O)c1ccccc1Cl 2301049859 CTCXRLAEJLIORK-HNNXBMFYSA-N 250.769 4.532 30 10 CJEE Cc1ccccc1SCC1(CS)CC(C)(C)C1 2304514602 MWXQVDFLJUPFGK-UHFFFAOYSA-N 266.475 4.823 30 10 CJEE C=CCCCCCCCC[C@@]1(O)CC[C@@H]1SC 2307622749 BWPYOWDMVFOXSQ-LSDHHAIUSA-N 256.455 4.550 30 10 CJEE N#C[C@@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCC(F)(F)C1 2310510893 VZLMKMYSIWUEII-RFQIPJPRSA-N 253.336 4.532 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCCCC[C@H]1NC 2313525140 SWWGQZUTBJYULI-CVEARBPZSA-N 267.482 4.551 30 10 CJEE C=CC[C@@H](C)Sc1ccc([C@@H](C)NCC)c(C)c1 2313690450 XIUFFDAPGDXUGE-ZIAGYGMSSA-N 263.450 4.722 30 10 CJEE CC(C)CCC[C@@](C)(C#N)Nc1ccccc1Cl 2315952295 PMNIYIWNSCNVSB-HNNXBMFYSA-N 264.800 4.860 30 10 CJEE CCCCOc1ccc(C=NNc2ccc(C)c(C)c2)cc1 2322922660 REYRSKOIXCOEEN-UHFFFAOYSA-N 296.414 4.928 30 10 CJEE C#CCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2325206584 HQICQVHIZNHTFW-AWEZNQCLSA-N 288.193 4.587 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(F)cc1SC 2328538942 NJJUOWFSQWUISR-CQSZACIVSA-N 267.413 4.555 30 10 CJEE CSc1cc(Sc2cccc(C)c2)ccc1C#N 2328542209 UQQGFNIFXNZWCT-UHFFFAOYSA-N 271.410 4.740 30 10 CJEE C=CCC(CC=C)O[C@H](c1ccc(Cl)s1)[C@@H](N)CC 2335109417 SOGKQKMQFAIARY-WFASDCNBSA-N 299.867 4.717 30 10 CJEE C=CCC(CC=C)N(C)Cc1cc(C(F)(F)F)cs1 2338726134 XZDZVMVXGYSBFV-UHFFFAOYSA-N 289.366 4.720 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2ccc(F)c(C)c2Cl)C1 2339183351 NUZIOKIQIAVECC-MLGOLLRUSA-N 282.786 4.725 30 10 CJEE C#Cc1ccccc1N[C@@H]1CCC2(CCCCC2)C1 2339906934 BHFBQUDLUQMZBT-MRXNPFEDSA-N 253.389 4.583 30 10 CJEE CSc1cccc(O[C@@H](C)CCC=C(C)C)c1C#N 2341799792 MDFUNUADTHOLCP-ZDUSSCGKSA-N 275.417 4.794 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(C)cc2SC)CC1 2342314418 XIOXAENHCPDCRH-INIZCTEOSA-N 276.445 4.887 30 10 CJEE C=CCCCCCCCNCC[C@H]1CC[C@@H]1C1CC1 2342414004 BRVWKPCCWVLLIR-QZTJIDSGSA-N 263.469 4.929 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1C(=O)CC#CC1CCCCC1 2343233770 OOHDLBVOOXDJDW-JKSUJKDBSA-N 260.421 4.602 30 10 CJEE CCCCCCC[C@H](CC1(C(C)(C)OC)CC1)NC 2343756718 GNQWIDUGSBCUMW-OAHLLOKOSA-N 269.473 4.530 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCC 2344347033 YGKUGKZOTWVKNI-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1c(C)cc(C)cc1F 2344349462 STSIJOWUXIVMSV-IRXDYDNUSA-N 263.400 4.695 30 10 CJEE C=CCC(C)(C)[C@H](CC1CC2(CC(C)C2)C1)NCC 2344354748 BQYIHJUMYYQUBH-HVEGKCCWSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CCC[C@H]1C(F)(F)F)NC 2344357453 RBOIYHODVFGNBI-UPJWGTAASA-N 277.374 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1C[C@H]1C1CCCCC1 2344359643 YVLLSZBWPGQVPR-XDNAFOTISA-N 263.469 4.913 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@]12CCCC[C@H]1C2)NCCC 2344375123 AYVCSMKEFIVXLA-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344460002 NHBQNMMSPRIJPF-DISONHOPSA-N 264.453 4.946 30 10 CJEE Cc1cccc(SC2(C#N)CC3(CC(C)(C)C3)C2)c1 2344989730 GHFZFDHCMUJKCW-UHFFFAOYSA-N 271.429 4.950 30 10 CJEE C=CCCCS[C@](CC)(C(=O)O)c1cccc(Cl)c1 2352205944 ICUZTEAQDDGAGD-HNNXBMFYSA-N 298.835 4.729 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H]1CCCC[C@H]1N 2358322904 YLESAXNFIKJLKC-KZNAEPCWSA-N 281.484 4.562 30 10 CJEE C=CCC(CC=C)S[C@@H](C(C)C)[C@H](N)c1ccccc1 2360203497 ZJQQDMRBCURWCZ-MSOLQXFVSA-N 289.488 4.965 30 10 CJEE C=CCC(CC=C)Oc1c([C@H](C)NC)ccc(Cl)c1F 2360213864 AKIMKNKMRWZHDK-NSHDSACASA-N 297.801 4.659 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1cccc(C#N)c1 20550001 WZQIHLUQDGNQKE-JLSDUUJJSA-N 271.404 4.536 30 10 CJEE Cc1cc(C#N)ccc1N[C@H](C)c1cccc(Cl)c1 38093158 YMDQKKZEGSUBAP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE COc1ccc(C(C)C)cc1[C@H](C#N)Cc1ccccc1C 57741655 RDYZIOUXXAKUAZ-SFHVURJKSA-N 293.410 4.977 30 10 CJEE C=C(C)COc1ccc2ccccc2c1CNC1CCCC1 66116016 YMISIFUATOCTAD-UHFFFAOYSA-N 295.426 4.827 30 10 CJEE CCC1CCC(Oc2cc(C)ccc2/C(C)=N/O)CC1 68606587 XWNXFDAOTPQHGE-QGOAFFKASA-N 275.392 4.541 30 10 CJEE Cc1oc(-c2ccc(Cl)c(Cl)c2)cc1CC#N 77073310 UXAVPXPYVVIVDC-UHFFFAOYSA-N 266.127 4.628 30 10 CJEE N#Cc1csc(CNc2ccccc2-c2cccs2)c1 93686574 ZZZZLJHGSXCCRM-UHFFFAOYSA-N 296.420 4.960 30 10 CJEE CCCCN(CC(CS)(CCC)CCC)C1CC1 94580267 ZHMOHWLXVIQSJX-UHFFFAOYSA-N 271.514 4.767 30 10 CJEE C[C@H](CCS)CCOc1cccc(C(C)(C)C)c1 94584372 UFVWOEQMIXEQFE-ZDUSSCGKSA-N 266.450 4.709 30 10 CJEE CCCCCCCC(=O)c1c(F)cc(OC)cc1F 103056303 HOBNWSZXHAJWNF-UHFFFAOYSA-N 270.319 4.517 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1ccc(OCCC)cc1C 107614470 BKYCTNYQKPCZEI-ZBFHGGJFSA-N 258.405 4.937 30 10 CJEE CCCCCCCO[C@@H](CNC(C)C)c1ccccc1F 110067674 IRDPVWDAAPDERX-SFHVURJKSA-N 295.442 4.852 30 10 CJEE CCCCCCCC[C@H](CN)Cc1ccccc1F 110464795 MRSUHPKPUCMBDE-HNNXBMFYSA-N 265.416 4.694 30 10 CJEE CCCCCCC[C@@H](CNC)Cc1ccc(C)cc1 110520727 OFJNDCFVEFMDDG-GOSISDBHSA-N 261.453 4.734 30 10 CJEE CCCCCCC[C@@H](Cc1ccc2ccccc2n1)NC 116000609 YOHGTOJIZMUOBZ-KRWDZBQOSA-N 284.447 4.726 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](OCC)C(C)C 122858628 HEIYHICJFBNFCC-DLBZAZTESA-N 272.473 4.939 30 10 CJEE CCCCCCC[C@H](Cc1cccc(OC)c1F)NCC 123861744 XDFLMZRISHYEPM-MRXNPFEDSA-N 295.442 4.715 30 10 CJEE CCCCCCC[C@@H](NC)c1c(Cl)cnn1C(C)C 127016170 FXZVRSONCGPPJO-CQSZACIVSA-N 285.863 4.738 30 10 CJEE N#Cc1ccc(N[C@H]2CCCc3sc(Cl)cc32)cc1 127302244 QWIFGNCDHPYWSI-ZDUSSCGKSA-N 288.803 4.763 30 10 CJEE CC(C)c1ccc(Sc2ccc(N)c(CC#N)c2)cc1 127641752 ONYZSPXCNKLMBG-UHFFFAOYSA-N 282.412 4.609 30 10 CJEE Cc1cc(C#N)ccc1C(=O)Nc1c(C)cccc1C(C)C 127948867 OVOJCSUGZWUZKH-UHFFFAOYSA-N 292.382 4.551 30 10 CJEE CCCCCCCCCCCCN[C@@](C)(CC)C(=O)O 129319360 GRKLUHNJUSWAHL-KRWDZBQOSA-N 285.472 4.750 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(Cl)c1Cl 130045351 DVEUZXCXALXADQ-ZDUSSCGKSA-N 289.250 4.858 30 10 CJEE Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(C#N)s2)c1 134908622 UVXWYJNACCJUAO-UONOGXRCSA-N 284.428 4.648 30 10 CJEE CCCCCCCCCC[C@@H](C[C@@H]1CCOC1)NCC 156440119 RBCIRJQBSQHZPC-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1CCCCO1 157907468 IALNXLWFUFZIKG-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1C[C@@H]1c1ccccc1 159082128 YVQONSUOEVZECQ-KURKYZTESA-N 259.437 4.868 30 10 CJEE N#Cc1ccc(CNc2ccc(F)cc2Cl)c(Cl)c1 162607382 QXOUNEANKGMMGD-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(C)CC[C@@H](NC)c1cc(C)c(Br)c(C)c1 164786983 PPUMERFODNWBSB-CQSZACIVSA-N 296.252 4.683 30 10 CJEE CCCCCCCC[C@@H](NCC)c1nccn1CCC 165931198 KIOAFEFVCNWDKT-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccc(C#N)cc1 187045706 MCTRTJMMECDACZ-GFCCVEGCSA-N 286.325 4.843 30 10 CJEE CCC[C@H](CS)CO[C@H]1C[C@@H](C)CC(C)(C)C1 227282455 ZTXHWLLHWKECKE-RDBSUJKOSA-N 258.471 4.564 30 10 CJEE CCCCCCC[C@@H](N)c1cnc2ccccc2c1 229520430 CBLITBSSVMZVON-MRXNPFEDSA-N 256.393 4.595 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCC[C@@H](C(C)C)C1 231004003 QBENNWFULNWUHE-WBVHZDCISA-N 256.393 4.516 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232389810 OUVBNZKOMQSOGF-KFWWJZLASA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@@H](N)C(C(F)(F)F)C(F)(F)F 232952206 FRKOQJJGDMCTPK-SECBINFHSA-N 293.295 4.805 30 10 CJEE C=CCCCCCNc1ccc(OC)c(Cl)c1 234857373 LLPLBWJRCAOIGX-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc(Cl)s1 236055602 IASKPHFJHFWZDF-UHFFFAOYSA-N 254.782 4.865 30 10 CJEE O=C(C1=CCCCCCC1)[C@@H]1C[C@@H]1c1ccccc1 236402680 AJUAKWLKYYHXBY-IAGOWNOFSA-N 254.373 4.640 30 10 CJEE C[Si](C)(C)C#Cc1ccc(-c2ccccc2)s1 247527883 NUYHASJHXNKIPG-UHFFFAOYSA-N 256.446 4.644 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@H](C)c1ccc(Cl)cc1 251312015 KHJURMNDBVSSDR-TZMCWYRMSA-N 285.884 4.535 30 10 CJEE CCC(=NO)c1ccccc1O[C@@H]1CCC[C@H](CC)C1 252464295 VXMRCHPBYVWZOS-UONOGXRCSA-N 275.392 4.623 30 10 CJEE Cc1cccc(C(C)C)c1NC1CCC(C#N)CC1 258828408 VPKITYRCAKHLPZ-UHFFFAOYSA-N 256.393 4.613 30 10 CJEE CC(C)(C)c1csc(NN=C/C=C/c2ccccc2)n1 263627012 NMBRYRZOKYANPW-UHYLOLGCSA-N 285.416 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl 274347944 OHATWYCEUGHOEV-VIFPVBQESA-N 287.737 4.818 30 10 CJEE N#Cc1c(Cl)cccc1OCCC1CCCCC1 305897999 SNWZSIPAPGTJMI-UHFFFAOYSA-N 263.768 4.561 30 10 CJEE CC[C@@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1 313430876 VEBBOYTXHFFRMS-QGZVFWFLSA-N 284.790 4.969 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2csc(Cl)c2)C1 316855943 OMSSCDCDDQGIBH-FZMZJTMJSA-N 270.825 4.730 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1cccc(Cl)c1 319662607 FXPABZBJAKHFAX-ZWNOBZJWSA-N 253.798 4.616 30 10 CJEE CCCCCCC[C@H](O)c1ccc(CSC)cc1 328030889 MJSMYVMEXJPYJY-INIZCTEOSA-N 266.450 4.944 30 10 CJEE C=CCCCCCOc1ccc(Br)cc1OC 379739759 GNBLHBQRHFPHKQ-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE CCC1CCC(C#N)([C@@H](O)[C@H](C)C2CCCCC2)CC1 380772645 QQUIVJIVLLRTRV-JOKDJRIQSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C#CCNc1ccccc1OCc1ccccc1 381028088 YUJZQHFVXBBHMB-UHFFFAOYSA-N 293.410 4.727 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@@H](CC(C)(C)C)CS1 393492714 NZPZCXZWWRJLAP-KBPBESRZSA-N 284.513 4.698 30 10 CJEE Cc1ccc(N[C@@H](C#N)CC2CCCCCC2)cc1 394527091 GLHZWVNUNIAFDN-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE Cc1ccc(NC[C@H](C#N)C2CCCCC2)c(Cl)c1 397097939 BUQDXIFDKCWWBR-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE CCCCCCCCCCNC[C@@H](C#N)C1CCC1 397421925 OIGBGBMXCRVGAO-QGZVFWFLSA-N 264.457 4.657 30 10 CJEE C[C@@H]([C@H]1CC1(C)C)N(C)CC1(CS)CCCCCC1 397867497 WOZDCJVAOFHYFV-LSDHHAIUSA-N 283.525 4.623 30 10 CJEE C=CCCCO[C@@H]1CCCCCCCCCC[C@@H]1O 402285838 LSGGJSKGWSVJDS-DLBZAZTESA-N 268.441 4.613 30 10 CJEE CC(C)C1CCC(C=O)(CC=C(Cl)Cl)CC1 403334355 AVSHZHKQXZYCQV-UHFFFAOYSA-N 263.208 4.727 30 10 CJEE C=C(C)CCSCc1nc(-c2ccsc2)oc1C 507094537 SWYATSJTVXPBAP-UHFFFAOYSA-N 279.430 4.911 30 10 CJEE O=C(/C=C\c1cccc2cnccc12)c1c[nH]c2ccccc12 588423209 OOSGRZLNVCIGCH-HJWRWDBZSA-N 298.345 4.612 30 10 CJEE C#CCCCCC[C@H](NC)[C@H]1CCCC[C@@H]1C(F)(F)F 686689837 UYHIZAFHPYPZHJ-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CC#CCC1(CNCCC)CC(C)(C)CC(C)(C)C1 687990064 JUWMTVPLLHCWME-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE N#Cc1cc(N[C@@H]2CCC23CCCCC3)ccc1Cl 690205670 YLKXYFUORFGXHL-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE CCC[C@H](Nc1ccc(C#N)nc1)c1ccc(Cl)cc1 690514533 XMGHRRDBUXGMBR-INIZCTEOSA-N 285.778 4.560 30 10 CJEE C=CCC1(NCc2ccc(C(C)(C)C)cc2)CCCC1 690717235 JKLXCCQZXXMHDO-UHFFFAOYSA-N 271.448 4.963 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCCC[C@@H]2C(C)C)cc1 691091009 SYRBSZZYRVELLY-MSOLQXFVSA-N 270.420 4.906 30 10 CJEE C[C@@H](CN(C)CC1(CS)CCCCCC1)C1CCC1 692266869 IBQRBBZDOHBQNK-HNNXBMFYSA-N 283.525 4.625 30 10 CJEE CN(CC1(CS)CCCCCC1)C[C@]12CCCC[C@@H]1C2 693724751 KMYNITSYDMUZKR-SJLPKXTDSA-N 295.536 4.769 30 10 CJEE CC[C@@H](C)c1ccc(OC[C@H](CS)C2CC2)cc1 702034070 ZTGHOEYDSOZJQW-IUODEOHRSA-N 264.434 4.535 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C(F)(F)F)NC 705492896 GDEOYQBWGYRNBL-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2cc(C)ccc2Cl)C1 710743324 WTZIBFCADRZLMH-KBRIMQKVSA-N 293.838 4.556 30 10 CJEE C=CCCC[C@H](C)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 712943350 GXNOZPLWJRKZMH-MELADBBJSA-N 277.374 4.690 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2ncccc2Cl)CC1 724545989 UREKRJZISCVVBZ-OAHLLOKOSA-N 278.827 4.522 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(C)cc2Cl)CC1 724548736 FQDFTDVYRJSKOH-MRXNPFEDSA-N 263.812 4.785 30 10 CJEE C=C1CCC(CNc2cc(Br)ccc2C)CC1 724549337 DUAYIOWCHPFROW-UHFFFAOYSA-N 294.236 4.916 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(CNC)o1 724857873 KEICJDRZIHFHRE-UHFFFAOYSA-N 279.424 4.713 30 10 CJEE CC(C)C1CCC(C#N)(CC2C[C@@H](C)O[C@H](C)C2)CC1 724881436 BYUYFWNBTNSMKN-RCDYEMGKSA-N 277.452 4.936 30 10 CJEE N#CCc1ccc(Cl)c2scc(OC(F)(F)F)c12 725286397 ASBYBNANEJHEQA-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE CC(=NNc1cccc(Cl)c1C)c1c(F)cccc1F 915051002 JCVLRHYZRMHUJN-UHFFFAOYSA-N 294.732 4.763 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](CC)C1)c1ccccc1 1126343207 KXCMGFSGXVQAKX-QRQLOZEOSA-N 299.458 4.821 30 10 CJEE C=CCC[C@H]1CCCN1C[C@@H](OC(C)C)c1ccccc1 1176771195 HPVOJRRBXCQUKP-RBUKOAKNSA-N 287.447 4.583 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ccc(CCC)cc1 1176771774 VICVCHXYNLEORF-GOSISDBHSA-N 257.421 4.570 30 10 CJEE C=CCCCCN1CCC[C@H]1/C=C/c1ccccc1 1198271511 VWMVMHQNXGQGKA-JKGDOXCYSA-N 255.405 4.521 30 10 CJEE C=CC[C@H]1N(Cc2cc(C)c(O)c(C)c2)CCCC1(C)C 1205562418 QGZMRJAUBZWYLG-QGZVFWFLSA-N 287.447 4.576 30 10 CJEE C=CCCCCCCCNC(=O)N1C[C@H](CC)CC[C@H]1C 1229662378 KERIHNPLVWBJFU-IAGOWNOFSA-N 294.483 4.733 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H](C)[C@H](C)CC)c1ccccc1 1265309594 VXVBTOBEZZVUPX-RYRKJORJSA-N 287.447 4.677 30 10 CJEE C=CC[C@@H](CC)NC(=O)c1ccc(-c2cccs2)s1 1270621942 FWTNJPAKJMOXHJ-LLVKDONJSA-N 291.441 4.561 30 10 CJEE C#CCC1(NCc2ccccc2SCC)CCCCC1 1308103968 ASWWEBZIZHUTSO-UHFFFAOYSA-N 287.472 4.614 30 10 CJEE C=CCN(CCc1ccc(C)c(C)c1)Cc1ccccc1F 1308613456 ITYDBQKRHXIDCR-UHFFFAOYSA-N 297.417 4.673 30 10 CJEE C#Cc1cccc(CN[C@H]2CCC[C@@H]2CCCCCC)c1 1308822133 YTJMQIZDNZIJBC-PMACEKPBSA-N 283.459 4.897 30 10 CJEE C=C(C)CCC(=O)Nc1cccc(C(F)F)c1Cl 1340102239 SCRDRBFSZZIPEF-UHFFFAOYSA-N 273.710 4.572 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)CCCCC1 1355223938 CDANXROKXFTOAW-HZPDHXFCSA-N 291.479 4.844 30 10 CJEE C=C[C@@](C)(CC)C(=O)N1CCCCc2cc(Cl)ccc21 1437747453 DFQWIRVAMLCFSQ-KRWDZBQOSA-N 291.822 4.612 30 10 CJEE C=CCC1(C(=O)N2CCC[C@H](CC(C)C)C2)CCCCC1 1457841422 LVMIDHOXUZMTLS-QGZVFWFLSA-N 291.479 4.798 30 10 CJEE C=CCN(CCc1ccco1)[C@@H]1CCCc2ccc(F)cc21 1459831086 ADIMTZJTCWBBBW-LJQANCHMSA-N 299.389 4.527 30 10 CJEE C=CCCCCCCCNC(=O)C1(c2ccccc2C)CC1 1460671790 GXWRBHDWTFJZIY-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE C=CCN(Cc1ccc(C)c(Cl)c1)c1ccccc1 1462103053 ISLBPVCRMPGHNX-UHFFFAOYSA-N 271.791 4.841 30 10 CJEE C=CCCCCC[C@@H](C)NCC(C)(C)[C@@H]1CCCCO1 1462482170 AYMNOZIHSOUMSG-SJORKVTESA-N 281.484 4.696 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)[C@H](O)c1ccc(C)cc1 1474600672 SGHDBTFTLJXZLL-LNLFQRSKSA-N 289.463 4.532 30 10 CJEE C=CC(C)(C)C(=O)Oc1cc(Cl)c(Cl)cc1CC 1521818730 SGEHMUFVXBUKMY-UHFFFAOYSA-N 287.186 4.673 30 10 CJEE C=C[C@H](CC)CC(=O)N(C1CCC(CC)CC1)C1CC1 1526635629 PYKUTGRKGMGYDR-QQFBHYJXSA-N 277.452 4.549 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 1532029542 JUVAUOSIZMDPTE-SFHVURJKSA-N 299.458 4.557 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC)CC1CCCCC1 1533646396 ZERSEJXDGBBOCS-OKZBNKHCSA-N 289.463 4.693 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 1534158430 IWCFKKMDWLXCTE-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@H]2CC[C@H]1C2 1559807625 KHHBQKASKVLVRE-GBESFXJTSA-N 269.432 4.501 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(C(F)(F)F)cc1C 1560758530 AURZPSGTRSZREM-OAHLLOKOSA-N 285.353 4.848 30 10 CJEE C=CCCCN(CC)Cc1c(C)cc(Cl)cc1C 1561037368 GHKQFZKSCSKLCS-UHFFFAOYSA-N 265.828 4.745 30 10 CJEE C=C1CCC(CNC(=O)Nc2cccc3ccccc23)CC1 1562169432 XFPTVSPHZKWHGQ-UHFFFAOYSA-N 294.398 4.708 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1584332163 ZKYJMUZBXFRXTK-UHFFFAOYSA-N 279.383 4.957 30 10 CJEE C=C[C@H](OC(=O)C[C@@H](C)c1ccc(F)cc1)c1ccccc1 1586194654 MSYPWMYPTPCHOT-KDOFPFPSSA-N 298.357 4.790 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 1586954436 PFMJTRCKLVYDOC-LSDHHAIUSA-N 279.468 4.557 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1C 1617466601 SGIOALCDFYVUAI-BBRMVZONSA-N 291.822 4.513 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2oc3ccccc3c2C)C1 1620796054 YCDRAFPLRYMCJE-GJZGRUSLSA-N 269.388 4.576 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1624141873 HFCOLAVIYLPCNT-IRXDYDNUSA-N 285.431 4.590 30 10 CJEE C=CCCCCCN1C[C@H](C)C[C@@H]1c1ccccc1 1645542850 DVNVFTWXIUVDRO-SJLPKXTDSA-N 257.421 4.816 30 10 CJEE C#CCCCCCCS[C@H]1CCc2ccccc2C1 1652948256 FAWYGQIFMMBAOX-SFHVURJKSA-N 272.457 4.861 30 10 CJEE C=CCC1(NC[C@H]2CC[C@@H](c3ccccc3)O2)CCCCC1 1654518437 NVGRBABQFRZLNP-MOPGFXCFSA-N 299.458 4.775 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(C)c(OC(C)C)c2)C1 1657944159 VDQFOFIRQMVSNK-JKSUJKDBSA-N 273.420 4.939 30 10 CJEE C=CCCCCCCCNCc1cc2ccncc2s1 1658065039 NDUXXGHWQFNTNK-UHFFFAOYSA-N 288.460 4.913 30 10 CJEE C=CCC[C@@H](CC)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 1659999023 OIBYTTKAAIMRKJ-LALPHHSUSA-N 281.802 4.669 30 10 CJEE C=CCCC[C@@H](NCc1ccnc(F)c1C)c1ccccc1 1660592598 DYIVYRMFGXDILF-GOSISDBHSA-N 298.405 4.716 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C)c1 1665516139 UPGFAVFTNCIAOS-NVXWUHKLSA-N 286.419 4.560 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CC2CCCCC2)CCCC1 1682259688 MWVZMWWDISJZBJ-HNNXBMFYSA-N 292.467 4.533 30 10 CJEE C/C(=N\OCc1ccc(Cl)cc1)c1ccc(C)cc1 1857935857 FHPZVWSIZJBPHQ-QGOAFFKASA-N 273.763 4.589 30 10 CJEE C=CCN(C(=O)CC1CCCCC1)[C@@H]1CCCC[C@@H]1C 1860026962 QQSGIFHLFRVPCT-DOTOQJQBSA-N 277.452 4.550 30 10 CJEE CCCCC[C@@H](CC)NC[C@H](C#N)C1CCCCC1 1879155303 QVRCOVGYNNSATQ-DLBZAZTESA-N 264.457 4.655 30 10 CJEE CC#CCCC[C@@H](NCCC)C1CCC(CC)CC1 1879651939 YASLTIUCNQXHBS-DAWZGUTISA-N 263.469 4.765 30 10 CJEE C=CCCN(CC#CCCCCC)Cc1ccccc1 1884062857 MDHUGMOVKSXFHQ-UHFFFAOYSA-N 269.432 4.648 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CCCC2(CC2)C1 1885244387 JTGXZAGHEQHJLE-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@](C)(O)c1ccc(C(F)(F)F)s1 1885263747 DJJMWRQHUAALHV-ZDUSSCGKSA-N 290.350 4.558 30 10 CJEE C=C1CC(CNCCC)(Cc2cc(Cl)cc(Cl)c2)C1 1893133722 XFEPYQHQNOTHIO-UHFFFAOYSA-N 298.257 4.872 30 10 CJEE C=CC[C@H](C)c1cc(Br)cc(OC2CC2)c1 1900526827 FYLDIZCDNFPLDI-JTQLQIEISA-N 281.193 4.670 30 10 CJEE Cc1cc(C#N)cc(N[C@H]2CCC3(CCCCC3)C2)c1 1915856615 BSSNQBLPILLLPY-INIZCTEOSA-N 268.404 4.782 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2C[C@H]2C1 1917326345 HXBUXZKSHMGENA-MELADBBJSA-N 259.418 4.565 30 10 CJEE CCCCCCC[C@@](C)(N)c1ccc(Br)o1 1920194703 UXMMEODPHQJZLF-CYBMUJFWSA-N 288.229 4.577 30 10 CJEE COc1ccc(Cl)cc1C[C@@]1(C#N)CCCC12CCC2 1921635282 FHELPTKTIWMKIO-QGZVFWFLSA-N 289.806 4.755 30 10 CJEE N#C[C@]1(CCc2c(F)cccc2F)CCCC12CCC2 1921656588 HTEBVJCJLSHAJX-QGZVFWFLSA-N 275.342 4.762 30 10 CJEE CC1(C)CCC(N=C2N[C@H](CC3CCCC3)CS2)CC1 1926661848 DBMWZWBVFBUWMA-OAHLLOKOSA-N 294.508 4.597 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(O)c1c(Cl)cccc1Cl 1947453346 OTRXFNBTZCXMJO-CQSZACIVSA-N 273.203 4.803 30 10 CJEE CCCCCCCCCCC[C@@H]1NCCC1(F)F 1952764189 BXJCATRAPYFWPR-AWEZNQCLSA-N 261.400 4.905 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)cc(Cl)c1 1975918848 GNKNBNFJPABCIA-TVQRCGJNSA-N 258.192 4.596 30 10 CJEE C=C1CC(CC(=O)c2cccc(Cl)c2Cl)C1 1985520826 BPYKAQJEZZNOGF-UHFFFAOYSA-N 255.144 4.532 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C=CC1CCN(Cc2ccc(Cl)c(Cl)c2C)CC1 2316701660 PZXOTJLMUFNOIJ-UHFFFAOYSA-N 284.230 4.700 30 10 CJEE C=CCC(CC=C)N(C)[C@H](C)c1ccccc1Cl 2316716847 BUIOCAOHZKNINU-CYBMUJFWSA-N 263.812 4.854 30 10 CJEE CCCCCCC[C@]1(CO)C[C@H]2C=C[C@H]1CCC2 2316772525 SAXBMAKTVRCIGA-BRWVUGGUSA-N 250.426 4.702 30 10 CJEE C=C1CC(C[C@H](NC)c2c(Cl)cc(F)cc2Cl)C1 2318350522 AQRNYGWZIVKZRK-ZDUSSCGKSA-N 288.193 4.749 30 10 CJEE C=C1CC(CN)(CCCc2cc(Cl)cc(Cl)c2)C1 2318662761 ZXCFRZIUKJTHEX-UHFFFAOYSA-N 284.230 4.611 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCCC(C)(C)C1)NCCC 2319297785 UAILCHJNLIFTRX-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE CC1(C)CC[C@H](C[C@@]2(C=O)CCCC(C)(C)C2)C1 2319327298 VBOXJFLBGMGAOD-YOEHRIQHSA-N 250.426 4.988 30 10 CJEE C=CCC(CC=C)c1c(Cl)cc(OC)cc1OC 2319573571 DMCHEMYTIHMJLW-UHFFFAOYSA-N 266.768 4.593 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)c(C)cc1Cl 2321097025 XOTKRACCHHVIIS-BMIGLBTASA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CCc1ccc(Cl)cc1 2321103419 ZIJCGSTXBPGAFO-JKSUJKDBSA-N 265.828 4.592 30 10 CJEE CCCCCCC[C@H](C)NC[C@]1(Cl)CC12CCC2 2326819044 DOILVXYXIBPFCV-GOEBONIOSA-N 271.876 4.877 30 10 CJEE C=C1CC([C@@H](NCC)c2c(Cl)cc(C)cc2Cl)C1 2327717203 LOKSYKDIPQSGHH-OAHLLOKOSA-N 284.230 4.919 30 10 CJEE CC(C)C[C@@H](CS)CSc1nc2ccccc2o1 2328538239 JKWWJRANGGBSBF-NSHDSACASA-N 281.446 4.512 30 10 CJEE Cc1ccc(C(C)C)cc1Nc1cccc(C#N)c1 2337650967 KPXVHIIZBKWBCI-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE Cc1c(C(=O)C#Cc2ccccc2)ccc(Cl)c1Cl 2339052243 ILDBEOIJOYLEJB-UHFFFAOYSA-N 289.161 4.536 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(C2CC2)ccc1Cl 2341882389 BVOIWDRUTDZGCD-WMLDXEAASA-N 275.823 4.834 30 10 CJEE C=C(C)C[C@H](Cc1ccc(F)c(C)c1Cl)NCCC 2341924203 SYAJHWHJFMCDHG-CQSZACIVSA-N 283.818 4.664 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H](C)CC(F)(F)F)NCCC 2344342080 HDIOJMKNCBEGFN-QWHCGFSZSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1nccc(Cl)c1F 2344375739 OEYYNIBRGMCIHX-CABCVRRESA-N 284.806 4.517 30 10 CJEE C=CCCCCCCCSC[C@H]1C[C@@H](N)C12CCC2 2351631089 GIEHXVLCJHLYDW-HZPDHXFCSA-N 281.509 4.764 30 10 CJEE C=CCCCSC1(C(=O)O)CC(C)(C)CC(C)(C)C1 2352005688 JSVZGOXWEYODRY-UHFFFAOYSA-N 284.465 4.746 30 10 CJEE CN(C[C@](C)(CS)C(C)(C)C)[C@@H]1CCCC(C)(C)C1 2352082955 PTCAQNGNHXWSOV-RHSMWYFYSA-N 285.541 4.869 30 10 CJEE O=C[C@]1(CC2CCC(CC(F)(F)F)CC2)CCCS1 2353164786 YRGIGAXVCXOHOK-WXRRBKDZSA-N 294.382 4.600 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2358321908 HQOJDKRFMOULKR-JJXSEGSLSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1CC(C)C 2358323067 BQKCBWLDWRZOKV-KZNAEPCWSA-N 280.500 4.807 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]1CO2)NCC 2359079872 PVQZBEJTKPGYKE-MLHJIOFPSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)n1c(S)nc2c(C)c(F)c(C)cc21 2360204712 FQEXNFPZEAHRCO-UHFFFAOYSA-N 290.407 4.774 30 10 CJEE C=CCC(CC=C)SC[C@@H](NCCC)c1ccccc1 2360336302 JBZBQTQPGFJBEV-GOSISDBHSA-N 289.488 4.981 30 10 CJEE CC(C)(C#N)c1ccc(NCc2ccc(Cl)cc2)cc1 36922170 IMWSAKKYXSNETK-UHFFFAOYSA-N 284.790 4.753 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(CC#N)cc2)c(C)c1 37071481 NVFNMAGEJKOABN-MRXNPFEDSA-N 278.399 4.851 30 10 CJEE Cc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1 37333970 SEDOZBFWJAZCAE-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CC[C@H](N[C@H](CC)CC#N)c1ccc(Cl)cc1Cl 54183426 MZWMXLNUXBGNOJ-RISCZKNCSA-N 285.218 4.726 30 10 CJEE C#CCSc1ccc(C(=O)CCC2CCCCC2)cc1 58017639 BVMFQTIQHHABDC-UHFFFAOYSA-N 286.440 4.955 30 10 CJEE C=CCOc1ccc(CN[C@H](CC)c2ccc(C)cc2)cc1 60828901 MBSSLCFUNRZPAB-HXUWFJFHSA-N 295.426 4.801 30 10 CJEE C=CCC[C@H](NCCC)c1cccc2ccccc12 71277138 QAFFLBMQPZPFHX-SFHVURJKSA-N 253.389 4.847 30 10 CJEE CCCOc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1 82252360 KVZWYGWXJBTKKE-CPNJWEJPSA-N 282.387 4.538 30 10 CJEE CCCC1CCC(O)([C@]2(C#N)CCC[C@@H](CC)C2)CC1 91875828 DSMADANJJQWMET-RZZCCWGQSA-N 277.452 4.818 30 10 CJEE CC[C@H]1CCC[C@@](O)(C2(C#N)CCC(C(C)C)CC2)C1 91885958 XGJTUNGZQPWJJX-BFWZDYSYSA-N 277.452 4.674 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C#N)CCCC(C)(C)C1=O 94320308 NSWQZWDHZHWRPA-PBHICJAKSA-N 263.425 4.882 30 10 CJEE Cc1ccc(C(=O)/C=C\C(Cl)=C/c2ccccc2)o1 96310802 ZPNUKXRNQXMBBP-YDHKZIGXSA-N 272.731 4.607 30 10 CJEE Cc1ccccc1C(=O)/C=C\c1ccccc1C(F)(F)F 96792727 RKHSULBZKBVSII-KHPPLWFESA-N 290.284 4.910 30 10 CJEE C=C(CC)C[C@H](Cc1cc(C)cc(C)c1)NCCC 97208620 UIMZGWIKYRKTBA-GOSISDBHSA-N 259.437 4.570 30 10 CJEE CCCCCCCO[C@H](C)CCCNC(C)(C)C 107345116 WWPSCHHIKHXAOW-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCc1nc(C(C)C)n(CC(C)C)c1N 110056099 COTFNFKUGQLIKV-UHFFFAOYSA-N 279.472 4.758 30 10 CJEE CCCCCCCO[C@H](CNCCC)c1ccc(F)cc1 110067868 BIUIIHRDSITUOW-GOSISDBHSA-N 295.442 4.853 30 10 CJEE CCCCCCCOCc1cccc(CNCC(C)C)c1 110170287 XBTNGHBFUDNFRB-UHFFFAOYSA-N 291.479 4.919 30 10 CJEE C[C@H]1CCc2ccccc2N1c1ccc(C#N)c(Cl)c1 110251165 CPTPVGLSAUDHPO-LBPRGKRZSA-N 282.774 4.684 30 10 CJEE N#Cc1ccc(Nc2ccc3ccccc3c2)c(F)c1 110257166 ATKODQJZZVIRAP-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE C[C@H]1CCC[C@H](Sc2cc(Cl)ccc2C#N)C1 110354433 PHHCYWQWQKKUCX-GWCFXTLKSA-N 265.809 4.882 30 10 CJEE C[C@H]1CCC[C@H](SCCCOc2ccccc2C#N)C1 110354860 GYNULBVRKPSCRT-HOCLYGCPSA-N 289.444 4.639 30 10 CJEE CCCCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 113047448 OPXLXXNKZKILOQ-NSHDSACASA-N 284.325 4.958 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@@H]1[C@@H](C)CC 114061658 PSTFEICONPNCDP-IPMKNSEASA-N 296.543 4.836 30 10 CJEE Cc1ccc(F)c(Nc2ccc(C#N)cc2Cl)c1F 122222492 OPAYSDAYFFDLKK-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE CCCCCCCC[C@H](NN)[C@H](CC)c1ccccc1 122407181 JMCNGKGPYQTOLM-MSOLQXFVSA-N 276.468 4.763 30 10 CJEE C[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)C(C)(C)C 125381584 CGECOENKVFGGNY-JTQLQIEISA-N 284.325 4.671 30 10 CJEE CCCCCCC[C@@H](NN)C(CC)(CC)c1ccccc1 126199422 BMKOYENXBLHRGN-GOSISDBHSA-N 290.495 4.937 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](O)(CC)c2ccccc2F)C1 128825311 YPMSNJVSAJENSO-ZTFGCOKTSA-N 289.394 4.533 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(C)c(F)c1 129517240 CLXFZVNOONDFFU-UHFFFAOYSA-N 278.367 4.637 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1ccc(Cl)c(C)c1 131349289 BLXDJORHWMKKFB-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE C[C@H]1CCC[C@H](Sc2c(F)cc(C#N)cc2F)C1 134036785 JSMILNRHDTWYDZ-ONGXEEELSA-N 267.344 4.507 30 10 CJEE CCCCCCCCOc1cccc(OC(C)C)c1N 135159263 JEVUBXYPYNWLIN-UHFFFAOYSA-N 279.424 4.795 30 10 CJEE CCCCCCCCCC[C@H](N)c1cscn1 150328205 BDEIKBZYYAULHD-ZDUSSCGKSA-N 254.443 4.674 30 10 CJEE N#Cc1ccc(CNc2ccc(Cl)c(F)c2)c(Cl)c1 162651107 YGDLRQWZJNMDJA-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)cc2F)CCCc2ccccc21 164657580 SIOBTCCCZFCKOF-GOSISDBHSA-N 299.776 4.819 30 10 CJEE CCCCCCCCCNN1[C@@H](C)CCC[C@H]1C 214878775 KQORCROSWAECBH-IYBDPMFKSA-N 254.462 4.505 30 10 CJEE C=C[C@H](C(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 222118999 QEHAHRCNEHIDOT-HZPDHXFCSA-N 289.419 4.711 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CCCCC1(C)C 226908647 XUVPUFILTUOYMC-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE N#Cc1cc(F)cc(Oc2ccc(Cl)cc2Cl)c1 227633983 ZESHJLHSOBRPNX-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(OC)CCCC1 228205533 WIECKKNUZZVCGJ-MRXNPFEDSA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@@H](N)Cc1ccn(C2CCCC2)n1 229535159 DSVINZMYQDWYBO-MRXNPFEDSA-N 291.483 4.619 30 10 CJEE C=C(C)[C@H](NCCC)[C@H](c1ccccc1)[C@@H](C)CC 229750559 UTNBDMGEVACOOM-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE Cc1ccc(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C#N)c1 232739280 WWTRNVCIGMTMME-YXJHDRRASA-N 271.404 4.706 30 10 CJEE CCC1(CNc2ccc(C#N)c3ccccc23)CCC1 233031530 LYBMWLRXTPLFET-UHFFFAOYSA-N 264.372 4.704 30 10 CJEE Cc1ccc(C#N)cc1N[C@H](C)Cc1ccc(Cl)cc1 235470907 ZZMLYSRTIDKWKO-CYBMUJFWSA-N 284.790 4.563 30 10 CJEE Cc1cc(Cl)ccc1CNc1cc(C#N)ccc1Cl 235797480 SNRPEPJNUUTHAC-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CC[C@H](C)C[C@H]2C)CC1 252558366 UOTGGTMWBUKMDN-QNVOQPSNSA-N 277.452 4.674 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)([C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252824076 SCHBMWLVACHVNI-CTRAYCPCSA-N 289.463 4.674 30 10 CJEE Clc1cc(Cl)c(N=Cc2ccccn2)cc1Cl 254837217 VDOWHRCQVVYTSD-UHFFFAOYSA-N 285.561 4.792 30 10 CJEE CC(C)(C#N)C[C@@H]1CSc2cccc(Br)c21 260045594 CCMXXCYZTMKHMI-SECBINFHSA-N 296.233 4.578 30 10 CJEE C=C([C@H](NCC)c1ccc(C(C)C)cc1)C(F)(F)F 311570036 ZXVALRATRZLPJZ-AWEZNQCLSA-N 271.326 4.579 30 10 CJEE CC(C)NC[C@]1(CC#CC(C)(C)C)CCCC[C@@H]1C 317483951 CYRYPWBFYPBMAX-FUHWJXTLSA-N 263.469 4.621 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(Br)s1 379828593 YKWWMKAAGPHAOM-JTQLQIEISA-N 288.254 4.518 30 10 CJEE C=CCCCCCCN[C@@H]1CCC(C)(C)C[C@@H]1C 380628114 OYXIHXSMWHOISR-JKSUJKDBSA-N 251.458 4.927 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2c(Cl)cccc2Cl)O1 383787172 QJHFNQRWSQELPU-AAEUAGOBSA-N 270.159 4.517 30 10 CJEE CCCC(CS)(CCC)COC[C@H](OC)[C@@H](C)CC 384807998 ZTBYCXOUGGSNRT-GJZGRUSLSA-N 290.513 4.581 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)C1CCC(C)(C)CC1 388719164 YUPRAUDGEYSOOE-MRXNPFEDSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1coc(C)n1 388925879 QGWUVXCQKKNGOL-OAHLLOKOSA-N 266.429 4.774 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCCC(F)(F)C1 394001684 ZCRDWUOZDVRLQH-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=C([C@@H](NCC)c1ccc(SCC)cc1)C(F)(F)F 394032541 QYKAOMYOBDJORR-CYBMUJFWSA-N 289.366 4.568 30 10 CJEE CCCCCCCC(=O)CCOCc1ccccc1 395540546 QHYFKJZHVYJWFH-UHFFFAOYSA-N 262.393 4.523 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@@H]1CCC 397059850 PJCGCVQLCNWIIM-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCCNC[C@H](C#N)C1CCC1 397421923 OIGBGBMXCRVGAO-KRWDZBQOSA-N 264.457 4.657 30 10 CJEE C[C@@H](CC(F)(F)F)CC1(C=O)CCCCCC1 402531285 VGZLOEIAAPMMMC-LLVKDONJSA-N 250.304 4.505 30 10 CJEE CCCCCCCCOc1c(F)c(F)c(N)c(F)c1F 402578131 BEKHZPFHWFNBAA-UHFFFAOYSA-N 293.304 4.565 30 10 CJEE C=CCCc1ccccc1NCc1cn(C(C)C)nc1C 500449503 BRFZKGHBFHHKFA-UHFFFAOYSA-N 283.419 4.503 30 10 CJEE N#CCc1cc(F)ccc1-c1ccc(Cl)c(Cl)c1 514263010 NJNFUJZXCBKNAK-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 686680324 MJKSAUADTPQPFY-PMPSAXMXSA-N 278.436 4.733 30 10 CJEE CC(C)C[C@@H](C)[C@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688342227 LYDSHSJSNYHWNF-CABCVRRESA-N 279.468 4.776 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N1CCC[C@@H]1C1CCCCC1 688809862 RVZDCXQLLZRZRG-KSZLIROESA-N 274.452 4.504 30 10 CJEE CC(C)(C)c1cccc(C(=O)[C@@H](C#N)c2cccs2)c1 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CCCCCCCCC[S@](=N)(=O)CC1[C@@H]2CCC[C@@H]12 2121651840 UQPNPQVSGVFWHH-CLCXKQKWSA-N 285.497 4.830 30 10 CJEE C#CCCCC[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2122684261 IKDKMMVBXUKHEC-ZDUSSCGKSA-N 290.712 4.586 30 10 CJEE C=CCCCC[C@H](NCC)c1ccc(C2CC2)cc1 2123081706 ZFZFANKMBHZAPI-SFHVURJKSA-N 257.421 4.961 30 10 CJEE C=CC[C@@](C)(Nc1ccc(C#N)c(Cl)c1)C(F)(F)F 2125764760 ZJGKIAHRZFXFKS-GFCCVEGCSA-N 288.700 4.521 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2127016165 XOAWSPXDCGNIFA-KYHPRHEASA-N 263.469 4.783 30 10 CJEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1ccc(C(C)(C)C)s1 2127921756 NLSJKUKLFWELPN-GOEBONIOSA-N 279.449 4.655 30 10 CJEE CC(C)(C#N)CCCCN1CCC12CCCCCC2 2134027651 MNCUMUXJGFNHIK-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE CCCCCC#CCC(C)(C)[C@@H]1CC[C@H](C)C[C@H]1O 2138955533 ANYGNHHVWMZAKC-GVDBMIGSSA-N 264.453 4.784 30 10 CJEE CCCCC#CC[C@@H](NCCC)C12CCC(CC1)C2 2138959357 QXNKWYAEORTLJW-LXPRWKDFSA-N 261.453 4.519 30 10 CJEE CCCCCC#CCC(=O)CSc1ccc(C)cc1 2139060069 ROAPLMWPAJVIII-UHFFFAOYSA-N 274.429 4.630 30 10 CJEE CC(C)C1CCC(C#N)(CC2C3(CC3)C23CC3)CC1 2139109228 RALSJZBMQOAIEU-UHFFFAOYSA-N 257.421 4.923 30 10 CJEE C[C@@H]1CC[C@@](C=O)(CC2CC3(C2)CC2(CCC2)C3)C1 2139216103 KNFGLVJLTARYSQ-PBHICJAKSA-N 260.421 4.742 30 10 CJEE C=CCCCCCC[C@H](NC)c1cnc(C2CC2)s1 2141905704 NREAMJFMURFARD-AWEZNQCLSA-N 278.465 4.808 30 10 CJEE CC(C)(C#N)CCCCO[C@H]1CCCC(F)(F)CC1 2142057276 RMOGZPFAAIBXNY-ZDUSSCGKSA-N 273.367 4.691 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@]12C=C[C@@H](CC1)C2 2142440889 USBXHKSUXQORBA-BZSNNMDCSA-N 261.453 4.977 30 10 CJEE C=CCCCCCCCC[C@H](NN)[C@@H](C)CCCC 2142450697 OCMQOFFUQBDAGJ-IRXDYDNUSA-N 268.489 4.951 30 10 CJEE C=CCCCCCCCCCNCc1cc(C)ns1 2142451040 RTJOBQRRGHCPAH-UHFFFAOYSA-N 280.481 4.848 30 10 CJEE CCCCCCCCO[C@]1(C(=O)O)CCCCC[C@H]1C 2145017964 QBLDGZQNYKRYEQ-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE O=C(C=Cc1ccccc1)c1cc2c(s1)CCCCC2 2145216663 KNWNPEMMZFBWAY-UHFFFAOYSA-N 282.408 4.913 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccnn1C(C)(C)C 2146903681 OCXMCOPTDGEYBR-OAHLLOKOSA-N 279.472 4.649 30 10 CJEE CCCCCCCCC[C@H](O)C(=O)c1ccccc1C 2147031956 LYZSYRGIYPSRQO-KRWDZBQOSA-N 276.420 4.679 30 10 CJEE CCCCCCCCC(=O)[C@H](O)[C@H]1CCCC[C@@H]1CC 2147206943 XQKGLUNFUQXRTE-XYJFISCASA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](NCC)C(O)(C(C)C)C(C)C 2148582414 LCRWQSSGKNZNNU-QGZVFWFLSA-N 285.516 4.758 30 10 CJEE CCCCCCCC[C@H](NCC)[C@](C)(O)c1ccsc1 2148582465 LLVKOBBKHDTVSY-DLBZAZTESA-N 297.508 4.684 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@](C)(O)CC1CC1 2148589447 JQZAYHIHJKGTRF-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@H]1CCCc2cccnc21 2149430749 NALSBFUREUCEJL-QAPCUYQASA-N 268.404 4.612 30 10 CJEE CCCCCCCCCNCCC1(COC)CCCC1 2150632587 RUDUPHHGVGJISC-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](NC)[C@@H]1CCC1(C)C 2150983881 HRSBHUNBSCKVHY-YESZJQIVSA-N 283.500 4.512 30 10 CJEE O=C(C1=CCCCCCC1)c1ccc2cccnc2c1 2151623577 KVINUHOIRCNLKM-UHFFFAOYSA-N 265.356 4.698 30 10 CJEE CCCC1CCC(C=O)(C[C@]23CCC[C@H]2CCO3)CC1 2152924066 HGEWSBSUWHHJSZ-JYSRZZCRSA-N 278.436 4.511 30 10 CJEE CCSc1cccc(N[C@H]2CCC[C@H]2C(C)C)c1C#N 2152936979 UUUBFGSBSSVFBD-ZFWWWQNUSA-N 288.460 4.907 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2157104622 GQQGAINTXZHGOO-HPFXQQBRSA-N 277.452 4.674 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CCC[C@H](C(C)C)CC1 2159455872 DOYDIKXLSDRDND-DLBZAZTESA-N 270.420 4.884 30 10 CJEE Cc1nc(NC[C@H]2CCC[C@H](C)CC2)c(Cl)cc1C#N 2159519631 SMGDPHVBFQWYTM-AAEUAGOBSA-N 291.826 4.543 30 10 CJEE C=C1CC(CCSc2ccccc2)(CNC(C)(C)C)C1 2159594011 CSCNMCAQUAJDFM-UHFFFAOYSA-N 289.488 4.893 30 10 CJEE CCCCCCCCCCN1CC[C@@]1(C)[C@@H](C)NCC 2163598009 YNLYCRJTCDLKMZ-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C[C@H]1C[C@H]1c1ccc(C(=O)CC#CC2CCCCC2)o1 2163950225 VGLVQURSDGFGIX-DZGCQCFKSA-N 270.372 4.560 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(OCCC)cc1 2164256844 FDENGERXYZZPBP-CRAIPNDOSA-N 275.436 4.728 30 10 CJEE CCCC[C@](C#N)(CC)CCc1ccccc1[N+](=O)[O-] 2164476044 UTVAMOQGUVWGBT-MRXNPFEDSA-N 274.364 4.638 30 10 CJEE CCCCCCCCCCC(=O)c1cnn(C(F)F)c1 2164494690 XJYXJTQBCFAHLY-UHFFFAOYSA-N 286.366 4.992 30 10 CJEE CN(CCCC(C)(C)C#N)C1CC2(CCCCCC2)C1 2164856945 HNHMUOKYNLALQF-UHFFFAOYSA-N 276.468 4.751 30 10 CJEE CCC1(CC)CSC(=N[C@@H]2C[C@@H]3CCCCCC[C@H]32)N1 2166178393 IOEDHYRYSVUKGY-RRFJBIMHSA-N 294.508 4.597 30 10 CJEE CCCC1CCC(C=O)(C[C@@H]2CC3(CCC3)CO2)CC1 2166423484 XPFBWIQJDGMNSB-AQFXKWCLSA-N 278.436 4.511 30 10 CJEE C#CC(C)(C)C[C@@H](CSc1ccccc1C)NCCC 2167611172 YYOLHEXPQXVYHK-INIZCTEOSA-N 289.488 4.505 30 10 CJEE C=CC1(C[C@@H](NC)c2cccc3ccccc23)CCC1 2168030072 CKFKXHHTUBQBDE-GOSISDBHSA-N 265.400 4.847 30 10 CJEE C=CC1(C[C@@H](NC)c2ccc3c(c2)CCCC3)CCC1 2168030470 HDSRVCWJYIJEKC-GOSISDBHSA-N 269.432 4.572 30 10 CJEE CCCC1CCC(N(C)[C@@H]2C[C@H](C)CC[C@@H]2C#N)CC1 2168435761 ODMRTHKLBVBFDQ-GVJGKXCCSA-N 276.468 4.605 30 10 CJEE C=CCC[C@@H](C)[C@@H](NN)C1CCC(CCCCC)CC1 2168702857 UTWLENOQTDNJJJ-AQEOSJORSA-N 280.500 4.807 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H](C)c1ccccn1 2170024495 RPYQEJYNURFGQB-HNNXBMFYSA-N 294.508 4.591 30 10 CJEE C=C(CC1(CNC(C)C)CC(C)(C)CC(C)(C)C1)OC 2171008863 BKBRQLLYHHDHDH-UHFFFAOYSA-N 281.484 4.757 30 10 CJEE Cc1ccc([C@@H]2CCCN2CC2(CS)CCCCC2)o1 2171740834 QSQACZGVVDFDMW-HNNXBMFYSA-N 293.476 4.605 30 10 CJEE N#Cc1c(Cl)cccc1N1CCCC[C@@H]1c1ccco1 2171743938 QDHUREIKXMNGSO-OAHLLOKOSA-N 286.762 4.536 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H]1CC[C@H](OCC)C1 2174826854 WIMMXXWHHQBOAR-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE CC1CCC(C)(CNC[C@H](C#N)C2CCCCC2)CC1 2176590308 VWGJDUYBNADRSG-NXYGQSRBSA-N 276.468 4.512 30 10 CJEE C#CCCCCC[C@H](NCCC)C1(C2CC2)CCCC1 2177719904 BEODXYSTAFRMFV-SFHVURJKSA-N 275.480 4.909 30 10 CJEE CCSc1cccc(N[C@H](C)C[C@H](C)C(F)F)c1C#N 2177918457 XZYKVWWGGXDTRT-WDEREUQCSA-N 298.402 4.762 30 10 CJEE N#CC1(CC2Cc3ccccc3C2)CCC2(CC1)CC2 2178408428 XINHFDJNRMDCEU-UHFFFAOYSA-N 265.400 4.656 30 10 CJEE C=CCCCC[C@H](NCC)c1cccc2cnccc12 2179683580 VVJHRPYHHAUUDN-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCC1CC(O)([C@@]2(C#N)CCCCC23CCC3)C1 2180070020 FDVDFDJYLAKGCJ-IIIMJFFVSA-N 275.436 4.572 30 10 CJEE CC(C)CCOCCC(=O)C1=CC[C@H](C(C)(C)C)CC1 2181667602 GORDOLVBAASXSY-INIZCTEOSA-N 280.452 4.781 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@]1(O)CCCCCC12CC2 2182365725 QHAZSHLJCYEWSN-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE CC[C@@H](CCC(C)C)N(C)[C@@H]1C[C@H](CC)CC[C@@H]1C#N 2186013449 PFIBAPXPSXSTRP-ZJPYXAASSA-N 278.484 4.851 30 10 CJEE CCCCCCCCCC[C@@H](O)c1c(C)ncnc1C 2187368748 RXPZUUAVATTZON-MRXNPFEDSA-N 278.440 4.658 30 10 CJEE CCCN[C@H](CC#C[Si](C)(C)C)[C@H]1CCC[C@H](CC)C1 2187477471 XCZHJHADHZNURQ-OKZBNKHCSA-N 293.571 4.842 30 10 CJEE CCCNC[C@]1(CC#C[Si](C)(C)C)CCCC(C)(C)C1 2187477997 DRXSEUIUGSMZEW-SFHVURJKSA-N 293.571 4.844 30 10 CJEE C=CC1(CN[C@H](C)Cc2ccc(C)cc2)CCCCC1 2189518290 OMHVXQPTOATDBL-QGZVFWFLSA-N 271.448 4.652 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1C[C@@H](OC)C12CCC2 2190392329 ILDWLWYRUAIIIB-YESZJQIVSA-N 282.468 4.693 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)[C@@]12CCC[C@@H]1C2 2190867195 MRBKYEQRUBMKGK-BPQIPLTHSA-N 280.452 4.637 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@]1(C)C(C)C 2191204964 GRPWPDINIIGNTC-ZWKOTPCHSA-N 282.516 4.575 30 10 CJEE CC(C)(C)C1(C(=O)[C@@H](C#N)c2cccc(Cl)c2)CCC1 2191983189 XZWYHOXYJBLMOI-AWEZNQCLSA-N 289.806 4.733 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@]12CCCC[C@@H]1CCC2 2194058420 GRZGONYFZRPASK-CEXWTWQISA-N 275.480 4.909 30 10 CJEE CC#CCCC[C@H](NCCC)[C@@]1(C)CCCCC1(F)F 2194067698 QTVAAHLXAQETBH-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE CC(C)CCCCCCN=C1N[C@]2(CC[C@@H](C)C2)CS1 2194668033 KEIHHDXEHPXWAJ-WBVHZDCISA-N 296.524 4.844 30 10 CJEE C=CCN(Cc1ccc(-c2ccccc2)cc1)C(C)C 2195908671 GNVBZVOVOXLYQI-UHFFFAOYSA-N 265.400 4.750 30 10 CJEE CC#CCCCC[C@H](NCCC)c1cc(COC)cs1 2196169460 DWHFMNCHJYRTOO-INIZCTEOSA-N 293.476 4.519 30 10 CJEE CC#CCCCC[C@H](C[C@H]1CCC12CCC2)NCCC 2196171844 MZSPPDLBNVGMSR-QZTJIDSGSA-N 275.480 4.909 30 10 CJEE CCN(C1CCCCCC1)[C@@H](CC#N)c1ccccc1 2197124110 QIPJKYAUUZODFX-SFHVURJKSA-N 270.420 4.686 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H](O)[C@@H]1C[C@@H]1CC 2199898067 ZHEDYGNXQNVKNK-XWTMOSNGSA-N 283.500 4.512 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@H]2C[C@@H]2C(C)(C)C)CC1 2200541647 STXXAYPATMKYQF-XJADACSNSA-N 277.452 4.530 30 10 CJEE N#C[C@H](CNc1ccc(F)c(Cl)c1F)C1CCCCC1 2200732960 HYNQDESLEORUGC-LLVKDONJSA-N 298.764 4.750 30 10 CJEE CC(C)(C)c1ccc(Sc2ccc(CC#N)cn2)cc1 2203407273 QOHMMQMACVLNCM-UHFFFAOYSA-N 282.412 4.596 30 10 CJEE CCCCC#CC[C@@H](N)c1ccc(-c2ccccc2)s1 2206185767 CSDFLINBMCMXOT-MRXNPFEDSA-N 283.440 4.999 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H](O)CCCC(C)C 2206892103 OJXRDYCKDVRSKU-QZTJIDSGSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCN(C)[C@@H]1CCO[C@H](C(C)(C)C)C1 2206896706 HHYFVNUYGMKZRM-SJORKVTESA-N 281.484 4.648 30 10 CJEE C=CCCCCCCCCCN1CCOC[C@@]1(C)CC 2207380930 DMHWDTRSEVABKB-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCC[C@H](N)C12CCC(CC1)OC2 2207405783 UBWMGHHHXVKTGH-ADKAHSJRSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](N)[C@@](O)(CC)CCCC 2207425772 ULOWEXYWEKFJPH-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCC[C@@H](O)C[C@@H](N)CC(C)(C)C 2207425997 WNIZAKABZNAPJC-IAGOWNOFSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@@H]1CCO[C@@H](C)C1 2207427059 IWGMJYSVIHRQBQ-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@H](O)c1ccc(COC)o1 2207427592 OEVHKMNJVZIKMU-INIZCTEOSA-N 280.408 4.766 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cc(C(C)C)[nH]n1 2207433782 AZNLYYPJTXSWDA-OAHLLOKOSA-N 277.456 4.840 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1CCCN[C@H]1C 2207434590 DJAMJLJUWZAXFW-IRXDYDNUSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C(C)(C)CCF 2207439965 CCPOIMUYDUSXRY-MRXNPFEDSA-N 286.479 4.901 30 10 CJEE CCCCCCCC[C@H](CN)N(CCCCC)C(C)C 2207443894 FCXCJMRUSXPDKM-GOSISDBHSA-N 284.532 4.965 30 10 CJEE C=CCCCCCCCOc1cccnc1Cl 2214617697 JXFQRIOCVMGPNT-UHFFFAOYSA-N 253.773 4.640 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(Cl)CCC1 2217311712 APYOZHMCCACQQI-CQSZACIVSA-N 259.865 4.877 30 10 CJEE C=CCCCCCCC[C@H](O)C(C)(C)C(F)(F)F 2220082069 JQBAXUKVCWUIGB-LBPRGKRZSA-N 266.347 4.853 30 10 CJEE CCCCCCCCN(C)c1c(C)sc(C=O)c1C 2226510574 DPIUETTXDYRQGQ-UHFFFAOYSA-N 281.465 4.974 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]1(CC)CCCCO1 2227267786 JUJNEORNIPMCPX-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCC[C@H](Cc1cscn1)NCC 2227268148 MVKUXAODUOHZOK-OAHLLOKOSA-N 280.481 4.580 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1Cc2ccccc21 2227271957 MVUOUAKNLIOIRY-ROUUACIJSA-N 258.405 4.604 30 10 CJEE CCCC[C@@H](C)Oc1ccc(C#N)c(C(F)(F)F)c1 2227988203 YVGQXNHVUONLHS-SNVBAGLBSA-N 271.282 4.535 30 10 CJEE CCCN[C@H](CC#CC1CC1)c1sc(C)c(C)c1C 2228568938 QEUJFEONBIGYPG-MRXNPFEDSA-N 275.461 4.518 30 10 CJEE CCCCCCCCCOCCCCCCNCC 2230991156 UHPKIKIKLLLVIY-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE C=C[C@H](CCCCC)OC[C@H](CS)c1ccccc1 2231037167 LWAVLKJIJPNFSP-IAGOWNOFSA-N 278.461 4.852 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)c1ccsc1C 2231947509 ZICBJFOFBBJEOE-INIZCTEOSA-N 282.449 4.741 30 10 CJEE C=CCCC[C@H](CCC1CC(OC(C)(C)C)C1)NCC 2232956694 BYDYIOIQFBWTRX-AQFXKWCLSA-N 281.484 4.695 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@]1(C)CCCC(F)(F)C1 2233781270 GBQULPQFVMYYHO-HOCLYGCPSA-N 285.422 4.620 30 10 CJEE CC(C)(C)C#C[C@H](O)c1ccc(-c2ccccc2F)s1 2233920196 DVNZBBWQGDQUQX-AWEZNQCLSA-N 288.387 4.637 30 10 CJEE C=CCCCCO[C@H]1CCCCCCCC[C@@H]1NCC 2234054551 USSKUOPPTYISGZ-ROUUACIJSA-N 281.484 4.840 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](NC)c1scc(C)c1C 2234217028 ONQFJNRMRRPYGX-IRXDYDNUSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCCC(=O)[C@](C)(O)[C@@H](C)CC(C)C 2235525645 CGSSBUBAZSQPTK-FUHWJXTLSA-N 282.468 4.905 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cccc(COC)c1 2235542053 OBAACKPNFCGQGD-GOSISDBHSA-N 275.436 4.750 30 10 CJEE CCN[C@@H](CC#CC1CCCCC1)CCCC(F)(F)F 2238211362 PSNYPWGWLHUSGN-HNNXBMFYSA-N 289.385 4.671 30 10 CJEE N#Cc1cc(CO)ccc1SCCCCCCC1CC1 2239336167 IJASFMFCQBDWBU-UHFFFAOYSA-N 289.444 4.503 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(F)c1F 2239762599 MLUIJSDGWOWOSI-CXAGYDPISA-N 281.390 4.916 30 10 CJEE CCCCCCCCC1(CNC2CCC2)CCOCC1 2240184808 XPULGGNCAQWXRQ-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1C[C@@]12CCCOC2 2240627827 JKEIUMIWYANNLY-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@H](C)NC[C@]12CCC[C@H]1OCC2 2240639568 GUNWDOYBYQPPFE-RCCFBDPRSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H](OCC)C1(C)C 2240650058 RDGFOIKMGAGXAE-YESZJQIVSA-N 283.500 4.919 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC1CCCCC1 2240653281 FCLLSJAMPJWQSL-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC[C@@H](COC)CC1 2240665731 GKPFYNWLRYLUDA-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cccc2ccoc12 2241198273 WQNQXEHJZAUTKF-MRXNPFEDSA-N 269.388 4.523 30 10 CJEE C=CCCCSc1c(Br)cc(C)cc1C=O 2244583654 KJVSJUALEGEPHG-UHFFFAOYSA-N 299.233 4.628 30 10 CJEE CCC[C@H]1CCCCN1CCCCCCCS 2252646111 DHADOGLEVGPXJK-HNNXBMFYSA-N 257.487 4.521 30 10 CJEE C=CCCCCCCCCCS[C@@H]1CC[C@@H]1O 2252751720 JGRGDYMUTFQKGK-LSDHHAIUSA-N 256.455 4.550 30 10 CJEE C=CCCCCCCC[C@@](C)(O)c1cnc(C)s1 2257466047 NPRGNVRVXATXSN-OAHLLOKOSA-N 267.438 4.576 30 10 CJEE CCCC[C@](C=O)(CC)C[C@H]1CCC[C@H]1C(F)F 2257770561 OMOIVOSMVDJUAK-UMVBOHGHSA-N 260.368 4.843 30 10 CJEE C=CCCCSc1ccc(CNC(C)C)cc1C 2259044097 GXODNKVVDZKHEL-UHFFFAOYSA-N 263.450 4.551 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC[C@H]1NC 2259050283 ZUUGRNXLDMECNE-CVEARBPZSA-N 269.498 4.777 30 10 CJEE C=C(C)CCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 2259235482 POTCNUKESQSZBS-AWEZNQCLSA-N 287.234 4.634 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCC[C@@H]1CC2)NC 2260588908 VEMRQSFHQZMNNY-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE C=CC1(C[C@H]2[C@H](O)C(C)(C)CCC2(C)C)CCC1 2261450921 RAQHNAHAQSSUCI-KBPBESRZSA-N 250.426 4.556 30 10 CJEE C=C([C@H](N)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2263314288 MOAOUPKFLJKFJT-JTQLQIEISA-N 293.430 4.509 30 10 CJEE C=C(C)CC[C@H](NCCC)c1c(F)cc(C)cc1F 2268227873 KJEINOHNHSJMSY-HNNXBMFYSA-N 267.363 4.670 30 10 CJEE Cc1ccc([C@H](O)CC=CC#CC(C)(C)C)c(Cl)c1 2268786460 OZQZVTNDKKHBOR-MRXNPFEDSA-N 276.807 4.678 30 10 CJEE C=CC[C@](C)(NCCCCC[C@@H]1C[C@H]1C)C(F)(F)F 2269523029 XIUYWENMCOEIOO-MCIONIFRSA-N 277.374 4.690 30 10 CJEE C=CCCCS[C@@H]1CCCC2(CCCCC2)[C@@H]1NC 2271487297 HDINBNHSNGCGGC-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=CCCCCCCCSCc1ccccc1CN 2271488441 FJOFQPIDPYMRQR-UHFFFAOYSA-N 277.477 4.905 30 10 CJEE C=CCCCSc1cc(F)cc(CN[C@H](C)CC)c1 2271588786 BTBMVCNVNFWFCG-CYBMUJFWSA-N 281.440 4.772 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cc(C)ccn1 2271783965 AABTXKKYJWFVKB-MRXNPFEDSA-N 260.425 4.567 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(CC2CC2)c1 2273748608 AQTAAMVVCVYNSL-SFHVURJKSA-N 257.421 4.646 30 10 CJEE CCN[C@@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2274001941 WXUCZDZFHQXNHD-INIZCTEOSA-N 296.241 4.838 30 10 CJEE CCCCCCCCCCC1(OCCC(=O)O)CC1 2274759587 XKRMHRJVCDWXGW-UHFFFAOYSA-N 270.413 4.541 30 10 CJEE C=C(C)CCC1(OCCCN)CCCCCCCC1 2276226687 YJBCPIBMALWSEO-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCCC[C@H](CCSC)OCCCN 2276786243 ZDXZAOFNORARMA-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCCCCC[C@@H](CCCC(C)(F)F)OCCN 2277335095 AMIYTFRLQVAXIP-AWEZNQCLSA-N 279.415 4.516 30 10 CJEE CC1(C)OCCC[C@]1(C#N)CC[C@@H]1CCCCC12CC2 2279745870 HTDZJLHLCGTODX-MAUKXSAKSA-N 275.436 4.836 30 10 CJEE C=CCCCCCCCOc1ccc([C@H](C)N)c(C)c1 2283222989 HBECHDNVNMWHLX-INIZCTEOSA-N 275.436 4.920 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(O)C[C@H]2CCCC[C@@]2(C)C1 2284076735 NIFKYVWZQNIMGA-NEWSRXKRSA-N 274.448 4.704 30 10 CJEE C#C[C@]1(N2CCCCCC2)CCCC2(CCCCC2)C1 2285984172 QAOJGGWXUDQSCN-IBGZPJMESA-N 273.464 4.759 30 10 CJEE C=CCCCS[C@H](C)[C@@H](NCCC)c1ccc(F)cc1 2287065789 QUXOHZBPHXMIKY-RHSMWYFYSA-N 295.467 4.954 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)(C)C)CCO[C@H](C)C1 2287374665 HWEJODNGYGFPIR-AEFFLSMTSA-N 281.484 4.696 30 10 CJEE CCN[C@H](C#CC1CCCC1)C1(CC(C)C)CCCC1 2289671510 HEUQWYPFIRXURS-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC[C@]1(CC#CC1CCCC1)CNC1CC1 2289900077 YGANPCVSKVTBGA-LJQANCHMSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)c1cccs1 2291859474 JZPTXTRHLGCJMJ-MRXNPFEDSA-N 298.448 4.815 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CC1(C)C)OCC(=O)O 2292232936 IENFZTFOGFPBBL-HUUCEWRRSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CC[C@H](C)[C@H](C)C1 2292767434 IUPWCHYKMIBCKR-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCCN)c1cc(C)ccc1Cl 2293135569 ONSBGPLZNIXGFR-WMLDXEAASA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@@H](OCCN)c1nc(C)sc1C 2293693071 AUTOUKRHFNEIKZ-OAHLLOKOSA-N 298.496 4.527 30 10 CJEE N#Cc1cccc(Oc2ccc3cccc(Cl)c3n2)c1 2294976515 KBUWTEDGZYOBLB-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCCC[C@@H]1CCN 2295537441 ZJCKXOXJQQSNHJ-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@]12CCCO2 2295681156 DUICPUCJBOXDQT-RCCFBDPRSA-N 281.484 4.817 30 10 CJEE CCCCCCCCC[C@]1(C)[C@H](C)C(=O)N[C@@H]1C(C)C 2295686157 FXVCDWWNJHLXPC-JFIYKMOQSA-N 281.484 4.924 30 10 CJEE Cc1ccc(C)c(C(=O)C=CNc2cccc(C)c2C)c1 2296876389 QGEYVBYKWFSVTA-UHFFFAOYSA-N 279.383 4.729 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](C)SC 2299240661 QKGPVYARTIPRLX-HUUCEWRRSA-N 258.471 4.796 30 10 CJEE C=CCC(CC=C)SCCC[C@H](CC)NCCC 2313652448 WVVHRNPXELRPDU-HNNXBMFYSA-N 269.498 4.799 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CCC1(F)F 2313720763 UOHWHWCZQCFZKI-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CCCCCCCCCNCC[C@H]1CCC1(F)F 2313722588 NGZOAUGUCRVPJX-CQSZACIVSA-N 261.400 4.762 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CCC2(F)F)CC1 2313734188 WLLUHWKXNMWMND-MOKVOYLWSA-N 255.352 4.922 30 10 CJEE C=CCC[C@H](C)[C@H](NC)c1c(F)ccc(C)c1Cl 2313998078 GILNNRAETIERKZ-NHYWBVRUSA-N 269.791 4.650 30 10 CJEE C=CCC(CC=C)C(=O)c1cccc2ccsc12 2316693847 MFLCTROEWGTXPI-UHFFFAOYSA-N 256.370 4.852 30 10 CJEE C=C(F)C[C@H](NCCC)c1ccc(F)c(C)c1Cl 2316778728 ZXNMDJABBKIWQN-ZDUSSCGKSA-N 273.754 4.702 30 10 CJEE CC1(C)C[C@@]1(C#N)CCCCC(F)(F)C(F)(F)F 2319581698 BBKCYSFGWFYFBW-SNVBAGLBSA-N 269.257 4.684 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)cc(OC)c1 2321126609 BQLHQURPCWGARR-OAHLLOKOSA-N 266.768 4.524 30 10 CJEE CCn1c(C)c(C=NNc2ccc(C)cc2)c2ccccc21 2322930420 BSOHDSJKRGNUOO-UHFFFAOYSA-N 291.398 4.724 30 10 CJEE C[C@H](CCC#N)Oc1ccc2ccccc2c1Cl 2327920756 JMPQCKNRRGHHOK-LLVKDONJSA-N 259.736 4.564 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](N)C[C@H]2CCCCC[C@@H]12 2335095788 GBAOGRINTYDIOI-DZUCGIPZSA-N 279.493 4.537 30 10 CJEE C=CCC(CC=C)OC(=O)C(C)(C)C1CCCCC1 2335107559 PFEYPSAFQIBMRF-UHFFFAOYSA-N 264.409 4.657 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCCC(F)(F)[C@@H]1NCCC 2335195707 ZFWCWSPFNDRYIC-BFHYXJOUSA-N 291.451 4.630 30 10 CJEE C=CC[C@@H]1CCC[C@H]1Nc1cc(C(C)(C)C)ccn1 2337095230 YDBVDZHTLIPYBV-UKRRQHHQSA-N 258.409 4.536 30 10 CJEE CCCN[C@H](C#Cc1cccs1)[C@H](C)CC(C)(C)C 2338252644 NCUHANKMXFHFDP-GDBMZVCRSA-N 277.477 4.540 30 10 CJEE C#C[C@H](NCC=C(C)CCCC(C)C)C1CCCC1 2338439424 FYFZHPYDQABXAV-SFHVURJKSA-N 261.453 4.541 30 10 CJEE C=CCCCCN(C)CCCCC(F)(F)C(F)(F)F 2342284921 DYVBZLURBUVNKY-UHFFFAOYSA-N 287.316 4.642 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cccc(C(C)C)c1 2343617817 GDJCTMYVJMDCLB-KRWDZBQOSA-N 257.421 4.510 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)NCCC 2344347623 CSXSCUJUALKHAM-VVLHAWIVSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCCC=C[C@@H]1CC2(CC2)CN1 2344583973 SKDGMFDVGGJSME-QGZVFWFLSA-N 261.453 4.992 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCCCC12CCCC2 2352011805 ZDCZSVFZPWYOQQ-INIZCTEOSA-N 282.449 4.644 30 10 CJEE CC#CCCCC[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCCC 2357453695 MDUURVOLZNQTBA-ZSYWTGECSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)C[C@@H]2CC[C@H]1C2 2360080950 GBEIGCPWKUTQHK-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC[C@H](C)N1C 2360180225 USBJVHXNKUIRRF-SQNIBIBYSA-N 282.516 4.588 30 10 CJEE C=CC[C@H](C)S[C@@H]1Cc2c(C)cccc2[C@H]1NCCC 2360207107 FQPCDTMAMIXRIH-BMGDILEWSA-N 289.488 4.658 30 10 CJEE N#Cc1cnc2ccc(Cl)cc2c1Nc1cccc(F)c1 16840715 RRHJLXNDSYCJPS-UHFFFAOYSA-N 297.720 4.643 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2nccs2)C1 40676874 HZZBWQWFGZNXFP-YNEHKIRRSA-N 294.489 4.980 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(C(F)(F)F)c1 54823218 HNVDHJZINQIWTF-FZMZJTMJSA-N 282.309 4.590 30 10 CJEE CCCCCCCCOc1ccc(F)cc1C(C)=O 59087967 CHQMUWKKRSBBGR-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CCCCCCCCOc1c(C)cc(CN)cc1C 59088233 VWDQXYAGEGZVPL-UHFFFAOYSA-N 263.425 4.501 30 10 CJEE CCCCCCCCCOc1ccc([C@@H](C)O)cc1OC 59292838 CHDVHKXCIYOGSE-OAHLLOKOSA-N 294.435 4.878 30 10 CJEE CCCCCCCCNc1ccc(N2CCCCC2)nc1 59431473 PDEQILMNNVPENA-UHFFFAOYSA-N 289.467 4.844 30 10 CJEE C[C@H]1C[C@@H](Nc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C 84983457 XDSFZKNHCNYQFZ-KEYYUXOJSA-N 270.420 4.724 30 10 CJEE N#C[C@@H](C(=O)C1CCCCCCC1)c1cc(F)cc(F)c1 86580108 BVTACYVGKYLYOB-MRXNPFEDSA-N 291.341 4.502 30 10 CJEE Cc1cccc(CSCC[C@@H](C)CCS)c1 87098046 BODACVPKBQYDNQ-LBPRGKRZSA-N 254.464 4.574 30 10 CJEE CC[C@@H]1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 88191302 RYTIJPBUECVYKU-PWSUYJOCSA-N 282.309 4.568 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 93634244 NYKCEMSXTNMTHZ-IAQYHMDHSA-N 292.766 4.511 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccccc1OC 94580304 BNFNRHMNFZBTKM-UHFFFAOYSA-N 295.492 4.648 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C(F)(F)F)ccc1F 94594954 XPKDDCBXHIHSIP-CQSZACIVSA-N 289.316 4.851 30 10 CJEE CCCCCCCCO[C@@]1(CNC)CCC[C@@H](C)C1 110070371 DSNMKNXJUHXYAU-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCCCN(C)[C@@H](C)CCN 110108071 PPHWFPXGFRNBDO-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE CC[C@](C)(C=O)CN(C1CCCCC1)C1CCCCC1 110118269 CWPIHUQTCYPMJA-SFHVURJKSA-N 279.468 4.569 30 10 CJEE CCCCCCCCN1C[C@@H](C(C)C)NCC12CCCC2 114348907 RMUWHYLFFFWMOR-SFHVURJKSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC(=O)Nc1c(N)cccc1Cl 115062021 CNXJPCIEUOQOHH-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE CCCCCCCC[C@@H](CNC)c1ccccc1F 118863032 QAKILXSKMYLPKR-HNNXBMFYSA-N 265.416 4.879 30 10 CJEE CCCCCCCCCCN1CCC[C@H]1[C@@H]1CCCC1=O 124608591 XCYFLZNLZCKREJ-ROUUACIJSA-N 293.495 4.961 30 10 CJEE CCCCCCCOc1cccc(Cl)c1[N+](=O)[O-] 125298059 VPZABJHFUYTVKI-UHFFFAOYSA-N 271.744 4.597 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cnn(CCC)c1 125822054 ZCBVOLCFYBENRP-QGZVFWFLSA-N 279.472 4.694 30 10 CJEE N#Cc1ccc(Cl)c(Nc2nc3ccccc3s2)c1 125899128 JFSKFUOBJPVKJR-UHFFFAOYSA-N 285.759 4.565 30 10 CJEE CCCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1CN 126131778 RADFIGVSTVZGQS-YESZJQIVSA-N 253.474 4.994 30 10 CJEE CCCCCCCCC[C@H](O)CCC[C@H]1CCCO1 126174650 ZLXHWZIOXUBWHK-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCC[C@@H](Nc1cc(OC)ccc1C#N)c1cccs1 130429562 ARSOKCBOMRFQCO-CQSZACIVSA-N 286.400 4.582 30 10 CJEE CC(C)c1ccc(Sc2cc(C#N)ccc2[C@H](C)O)cc1 131720542 XZRJTRBJVYLWCW-ZDUSSCGKSA-N 297.423 4.886 30 10 CJEE CCCCCCCC[C@H](CCSC)NCCC 140303168 VSYLADDTQDRURM-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE O=C(C1=CCCCC1)c1cc2ccc(F)cc2s1 160954902 ARKQMCDOKLBRQR-UHFFFAOYSA-N 260.333 4.724 30 10 CJEE N#Cc1cc(F)cc(COc2cc(Cl)cc(Cl)c2)c1 163731413 GJXZXAXBKRRRCQ-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2F)c2ccccc21 163809310 CQHSIMJUUYCTJU-YVEFUNNKSA-N 280.346 4.748 30 10 CJEE CCCCCCCCCC[S@](=O)c1ccc(F)cc1N 165471277 ALHWTEHNSRLQFN-HXUWFJFHSA-N 299.455 4.656 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)CC1 168282961 PGGHMTCCPQLCQD-HIFRSBDPSA-N 274.383 4.858 30 10 CJEE Cc1ccc(/N=C/c2ccc3ccccc3n2)cc1C 196300909 YGBURENYSBRNFP-XDHOZWIPSA-N 260.340 4.602 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(O)C1(C#N)CCC(C)(C)CC1 214829454 MDVJCJLSVQIYFG-YJBOKZPZSA-N 277.452 4.674 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1Cl 215077275 MRMQYOGMMCTAPI-DZGCQCFKSA-N 276.811 4.838 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 221837700 AVQDLIALHUXIOU-COPLHBTASA-N 296.336 4.814 30 10 CJEE CCCC[C@H](CCC)n1c(S)nc2c(C#N)cccc21 225795587 PESHNRZGFGVQRJ-ZDUSSCGKSA-N 287.432 4.728 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cc(F)cc(C#N)c1 227632575 ITRRMNLTMMQKST-JLZZUVOBSA-N 275.367 4.537 30 10 CJEE N#Cc1cc(F)cc(Oc2ccc(Cl)c(Cl)c2)c1 227635205 BYPJHQRCCSTIRN-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCC[C@H](NC)c1ccc2cccnc2c1 228958883 XXFLTAWGOYQRIF-KRWDZBQOSA-N 270.420 4.856 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Nc1cc(C#N)ccc1Cl)C2 229068471 GJKAYOLTPYESRR-NUTKFTJISA-N 288.822 4.838 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](N)c2ccccc2O1 229096961 ZBYYYSOKRYRPRI-WBVHZDCISA-N 261.409 4.588 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2cc(C)ccc2O1 229108079 JSGXIDZSBPLCTH-WMZOPIPTSA-N 275.436 4.897 30 10 CJEE C=C(C)C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 229740033 LSXQYUMNMAGIGX-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(C)nc(C)c1 231665768 OGQIROWBFQXICX-QGZVFWFLSA-N 262.441 4.710 30 10 CJEE CCCC[C@H](CC)CO[C@@H]1C[C@@H](C)CC[C@@H]1C#N 251344546 MSAPVISWWVAYPA-CAOSSQGBSA-N 251.414 4.548 30 10 CJEE N#CCCCCCN(Cc1ccccc1)Cc1ccccc1 307255924 DJSFCKISQKYIBY-UHFFFAOYSA-N 292.426 4.773 30 10 CJEE CC(C)(C)C#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 312248449 USBXTQFMYMRPEF-QLFBSQMISA-N 278.436 4.589 30 10 CJEE Cc1cccc(N[C@](C)(C#N)c2c(F)cccc2Cl)c1 313485498 HSQHXDZBXDAIQE-MRXNPFEDSA-N 288.753 4.638 30 10 CJEE CC(C)(C)C1CCC(C=O)([C@@H]2C[C@H]3CC[C@H]2C3)CC1 317578092 MSIUJYIUULHPCL-UNTFWZCKSA-N 262.437 4.844 30 10 CJEE CCCCCCC[C@@H](CC/C=C/c1ccccc1)NN 324288298 OKJANSNJPLKSPW-MDNBWPLSSA-N 274.452 4.672 30 10 CJEE CCCCCCCCC[C@@H](CN1CCCCCC1)NC 381334440 YAQBQFUPXFUFMV-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CC(C)(C)CCCOCC1(CS)CCCCC1 383443314 FIFJKZRPILKOOY-UHFFFAOYSA-N 258.471 4.710 30 10 CJEE C[C@H](CCC(C)(C)C)NCCCCC(C)(C)C#N 386254525 JFNDHHDXUAYKDL-CQSZACIVSA-N 252.446 4.511 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1NC[C@H](C#N)C1CCCCC1 397320922 QLQZREJWUZAWKH-BZSNNMDCSA-N 276.468 4.511 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1cnsc1 404738046 VDUBNFOIRCCMRV-OAHLLOKOSA-N 268.470 4.934 30 10 CJEE N#CC1CCC(CNc2ccnc3c(Cl)cccc23)CC1 557661979 ALZMXEIABJGCGK-UHFFFAOYSA-N 299.805 4.630 30 10 CJEE CSc1cc(C(F)(F)F)cc(F)c1C(F)(F)F 575340029 LLURADKVZLQYPW-UHFFFAOYSA-N 278.192 4.585 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@H](CC)CC(F)(F)F 686703834 MCPUKAGCNAEMNP-HUUCEWRRSA-N 291.401 4.917 30 10 CJEE C[C@H](CC1CCCC1)Nc1cc(C#N)ccc1Cl 689866964 RSNACCDUTLFNQO-LLVKDONJSA-N 262.784 4.592 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)c1ccc(Cl)cc1C#N 691060081 ZYOLUXJKZPSURC-IUODEOHRSA-N 276.811 4.617 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](CC)CCCC 692202836 CCTXMTSBJBYOLA-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccccc1C(C)(C)C 695817910 WQCCPWCEYKIZBX-ZDUSSCGKSA-N 258.409 4.724 30 10 CJEE C=C1C[C@H]2CC(NCCSc3ccccc3)C[C@@H](C1)C2 697334218 SPGYXUZQJXREFU-SJPCQFCGSA-N 287.472 4.503 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CC12CC2 698141828 YEMVIRIPSHLOOP-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(Cc2ccc(Cl)cn2)C1 703850365 WSEKBCXAPFAAAY-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE C=CCCC(C)(C)CNC[C@H]1CCCC[C@H]1CC 704006564 UVNDDINWZAOPAR-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1OCC 709664458 RTTQTUUDXUYCFV-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCc1csc(C2(C#N)CC(C)(C)CC(C)(C)C2)n1 711167837 CDANPZUAMJNNTC-UHFFFAOYSA-N 276.449 4.703 30 10 CJEE C=CC[C@H](C)C1(CNCCC)CCC(CC)CC1 715815263 RCDNLESERLKSRP-GTPINHCMSA-N 251.458 4.785 30 10 CJEE C=CCCC(C)(C)Nc1nc(C)nc2sc(C)c(C)c12 717679694 NWGWTSOWNNNYFA-UHFFFAOYSA-N 289.448 4.773 30 10 CJEE CCCCCCCCC[C@H](O)C1(C)CC(F)(F)C1 720486357 YRIULICZJUFEMR-ZDUSSCGKSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC12CC2)NCCC 723183094 PFEXNRXHMJWCGR-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE C=C1CCC(CC(C)(C)[C@@H]2CC[C@H](C)C[C@@H]2N)CC1 724589260 DKYPGAFWXXETLR-UAGQMJEPSA-N 263.469 4.913 30 10 CJEE C=C1CCC(CCC[C@@H](NC)c2ccccc2)CC1 724590922 ZFZOCUNKIMGYCA-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CC[C@@H](OC(=O)[C@H](C)c1cccs1)c1ccccc1 778738271 VUQYYOZBRCMPMR-UKRRQHHQSA-N 286.396 4.712 30 10 CJEE C=CCCC[C@H](NCc1cnc(C)s1)c1ccccc1 880387823 FERRQLOBOWIEMO-KRWDZBQOSA-N 286.444 4.639 30 10 CJEE Cc1ccc(N=Cc2ccc(Br)cc2)cc1C 1084446254 AEWHXOMLZUGGBG-UHFFFAOYSA-N 288.188 4.817 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C)c1Cl 1131106599 UPNYGKTXQSQWOG-ZFWWWQNUSA-N 291.822 4.513 30 10 CJEE C#CCCCCCCNc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1180865995 XKBQPSMUVGXTKE-PXNSSMCTSA-N 296.458 4.671 30 10 CJEE C=C[C@H]1CCCCN1C/C=C\c1c(C)cc(C)cc1C 1205583822 WAIAQLZWQJZLPU-IZTUGPKFSA-N 269.432 4.666 30 10 CJEE C=CCCC[C@H](N[C@@H]1CC[C@@H]1CC)c1ccccc1 1207341806 UXKDSOMUDZSMAL-RYQLBKOJSA-N 257.421 4.862 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@](C)(CCC)C1 1254020230 CMWBCVZPHKLNLH-SFHVURJKSA-N 294.483 4.591 30 10 CJEE C=C[C@H](OC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c1ccccc1 1279069505 JUDYDCFZHKARPV-FMKPAKJESA-N 274.404 4.775 30 10 CJEE C=CCC1(C(=O)N(Cc2ccccc2)CC2CCC2)CCC1 1355448355 NJQNXAFGFQPKTC-UHFFFAOYSA-N 297.442 4.562 30 10 CJEE C=C[C@@H](C(=O)Nc1ccccc1CCC)c1ccccc1 1440778408 SORPSBVKCMNKGE-QGZVFWFLSA-N 279.383 4.547 30 10 CJEE C=CC[C@H]1CCCN(C(=O)c2cc3cccc(C)c3s2)C1 1452993272 HIPBCZMYOILXMX-AWEZNQCLSA-N 299.439 4.638 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)CCCC1 1459276787 LRJFAVGOMDCIRB-DLBZAZTESA-N 291.479 4.844 30 10 CJEE C=CCCN(C[C@H]1CCC[C@@H](C)C1)OCc1ccccc1 1459975192 VQBTUBYIOQEUKQ-MJGOQNOKSA-N 287.447 4.823 30 10 CJEE C=CCC1(CNC(=O)CCCCC(C)(C)C)CCCC1 1460026122 FWNLSXRQFVXGHU-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)cc1 1460056783 UWGSNFOQVYQXRN-UHFFFAOYSA-N 285.818 4.918 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(C)ccc1C(F)(F)F 1461570055 SUSSHQBUBNYWJS-NSHDSACASA-N 285.309 4.555 30 10 CJEE C=CCCC1(CNCc2ccc(C)cc2F)CCCC1 1461635080 VDOHCNMRRAYDKK-UHFFFAOYSA-N 275.411 4.750 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(CC)cc1 1474177885 BXQDRQOBEWMVDD-FQEVSTJZSA-N 279.427 4.526 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)C1CCC(F)(F)CC1 1474623097 HAAKCSUKTFWYIM-NUEKZKHPSA-N 285.422 4.925 30 10 CJEE C=CCCC[C@H](NCc1ccc(O)c(F)c1)c1ccccc1 1474686353 TUFHDSMHIPLINQ-SFHVURJKSA-N 299.389 4.719 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(C)cc(F)c1)c1ccccc1 1519353375 FQFKUARHNJXHBZ-SFHVURJKSA-N 297.373 4.571 30 10 CJEE C=C(C)CCNC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1526310081 KSUKIEBPPBEKPZ-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1ccc2c(ccn2CC(C)C)c1 1526860660 RUQSAJZGZLNHIW-OAHLLOKOSA-N 298.430 4.838 30 10 CJEE C=CCC1(CNC(=O)/C(F)=C\C2CCCCC2)CCCC1 1532544051 OMCRYZNAYNLSSM-DTQAZKPQSA-N 293.426 4.673 30 10 CJEE C=C[C@@H](CC(=O)NCC(C)(C)CC(C)C)c1ccccc1 1534027797 QYQJXPVDHTWOCC-INIZCTEOSA-N 287.447 4.535 30 10 CJEE C#CCCCCC(=O)Nc1ccc(-c2ccccc2)c(C)c1 1536384068 VYLMLEOGOHEARF-UHFFFAOYSA-N 291.394 4.794 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C)cc2OCCC)C1 1560372076 WVPOOWLYBQXQOU-AEFFLSMTSA-N 287.447 4.618 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1 1585069108 HYBICXUFRHWXGO-NEWSRXKRSA-N 299.458 4.774 30 10 CJEE CC(C)c1ccc(C#Cc2ccc(Br)cc2)cc1 1614825204 CQJMBBCFNYFJDZ-UHFFFAOYSA-N 299.211 4.972 30 10 CJEE C=CC[C@H]1N(C[C@@H]2CCOc3ccccc32)CCCC1(C)C 1621291476 XFIQWUPVMKAQLD-QFBILLFUSA-N 299.458 4.619 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCCC1(F)F 1625945107 PZIOWJLJCMCEQT-CQSZACIVSA-N 293.357 4.569 30 10 CJEE C=CC[C@H](CC)NC(=O)NC(C)(C)CC1CCCCCC1 1634778384 PXLDKOSIWNQJIY-INIZCTEOSA-N 294.483 4.779 30 10 CJEE C=CCOCSc1ccc(C2CCCCC2)cc1 1643644399 YLVNEYKQFAJAIJ-UHFFFAOYSA-N 262.418 4.987 30 10 CJEE C=C1CCN(Cc2c(OC(C)C)ccc3ccccc23)CC1 1644541072 LGEPJRIYXZFBDC-UHFFFAOYSA-N 295.426 4.779 30 10 CJEE C=CCC1(NCc2cc3cc(OC)ccc3o2)CCCCC1 1656250767 ISSDQMJGCWXJKZ-UHFFFAOYSA-N 299.414 4.810 30 10 CJEE C=CCN(CCCCOC(C)(C)C)CC1CCCCC1 1657316286 FFWNAIRCOFFRMY-UHFFFAOYSA-N 281.484 4.650 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C(C)(F)F)cc2)C1 1657446707 ZTGAZEZKXQRNJJ-XJKSGUPXSA-N 279.374 4.633 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(C(F)(F)F)s1 1662043765 FJCOBEKCNPXARZ-SNVBAGLBSA-N 277.355 4.601 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1ccccc1C(F)(F)CC 1674308637 ULSGIKJPMPLLHN-GFCCVEGCSA-N 296.361 4.665 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@H]1CCC(C)(C)C1 1682957550 ODPOLPWOHZIAMM-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 1685253852 PBGJNZPORCHGPB-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE CC(C)CCC(=O)ON=C1CCC(C(C)(C)C)CC1 1860467011 WSJHUFJJVKXWFD-UHFFFAOYSA-N 267.413 4.558 30 10 CJEE CCCCCCC[C@@H](N)C1CC(c2ccccc2)C1 1875793714 AGQGNEHJHOSWCW-DAWZGUTISA-N 259.437 4.868 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)[C@H](C#N)c2ccsc2)CC1 1878042465 UMEJKCVIAGVOKY-UMVBOHGHSA-N 275.417 4.531 30 10 CJEE CCCCC[C@@H](CC)N(C)c1ccc(C)cc1C#N 1879294792 MIESPKCGGGHBMK-MRXNPFEDSA-N 258.409 4.662 30 10 CJEE CC1(C)C[C@@]1(C#N)CC1CC2(C1)C(F)(F)C21CCC1 1881850814 RDKRWWGXODUBEF-GLWUULTISA-N 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CCCCC#CC[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233655372 KDGRFBRWVGSCLA-YDZRNGNQSA-N 275.480 4.765 30 10 CJEE O=C[C@@]1(CC2C[C@H]3CCC[C@H](C2)C3)CCCC(F)(F)C1 2233718539 NYBQMQKIJHQNSQ-OFQRWUPVSA-N 284.390 4.988 30 10 CJEE O=CC1(CC2C[C@H]3CCC[C@H](C2)C3)CCC(F)(F)CC1 2233721630 YIVQCJXKJQVDBS-KBPBESRZSA-N 284.390 4.988 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1C[C@]12CC2(F)F 2235513833 NFFYGKLLSBPTSL-JYJNAYRXSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2235517988 BWSCEBKSLNFZKR-VGWMRTNUSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2235537841 FIYPOMWKAFHYEA-RPVYPSMYSA-N 275.480 4.783 30 10 CJEE C=CCCCCCCCN1CCC[C@](F)(C(F)(F)F)C1 2235540202 URVGAIHPVYDLNT-CQSZACIVSA-N 295.364 4.879 30 10 CJEE CCCCCCCCCCC1(N)CCC2(CCO2)CC1 2235643278 RQLLTOQEIFARGG-UHFFFAOYSA-N 281.484 4.948 30 10 CJEE CN[C@H](CC#CC1CCCCC1)C1(C)CC2(CCC2)C1 2236525155 KMNWAGBFOIOYDB-QGZVFWFLSA-N 273.464 4.519 30 10 CJEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cc(F)cc(Cl)c1 2237997515 NDPDOVBPNFOGTM-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CCCCCCCCCCOCC[C@@H]1CC[C@H](C)CN1 2239485232 ZWTDOVRFWZGXLN-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCOc1nc(CN)ccc1Cl 2239500639 DXALNEIQQQDVLC-UHFFFAOYSA-N 298.858 4.713 30 10 CJEE C=C[C@H](CCCCC)OC[C@@H](N)c1ccc(F)c(Cl)c1 2239505137 WEJATWAGYZSLOB-CZUORRHYSA-N 299.817 4.630 30 10 CJEE CC(C)(C)[C@H]1CCC[C@](N)(C#Cc2ccc(Cl)cc2)C1 2239577788 IGIZXUIYZBTOOZ-YJBOKZPZSA-N 289.850 4.625 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CCC1CCCC1 2240638136 QMKNYPMXSKDHJY-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](C)NCC(C)(C)N1CCCC1 2240638296 SFJNAGCLVOMFGD-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@]12CCC[C@@H]1CC2 2242202442 OQHPBJXFTVJONG-RTBURBONSA-N 269.432 4.645 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1ccc(C)c(Br)c1 2250898906 YNDRSNTXBTXNLA-WCQYABFASA-N 296.252 4.620 30 10 CJEE CSCC1(C[C@@]2(C#N)CCC[C@H](C)C2)CCC1 2251398620 ZXVUSZNIXDBMFA-DZGCQCFKSA-N 251.439 4.630 30 10 CJEE C=CCCCS[C@H]1CCCCC(C)(C)[C@@H]1NCC 2258981480 PCOZPGWYVGJAMI-LSDHHAIUSA-N 269.498 4.633 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)[C@@H](C)OC 2263719158 YPEKTBANOONPBR-HRCADAONSA-N 257.462 4.529 30 10 CJEE CCCc1ccc(C[C@]2(C#N)CCCC[C@H]2C)cc1 2268250387 IBVHWRNLSRYNIB-QAPCUYQASA-N 255.405 4.902 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C[C@@H]1CCC12CCC2 2268764894 DYTLLZUTROGSBL-HNNXBMFYSA-N 258.405 4.522 30 10 CJEE C=CC[C@H](C)Oc1cc(C)c(Cl)cc1[C@@H](C)NCC 2270949427 CLWMQKAGOOHLHV-QWHCGFSZSA-N 281.827 4.662 30 10 CJEE C=C(C)CCCCN1CC(F)(F)C[C@H]2CCCC[C@@H]21 2271832543 BXCSOUWVZCUSQB-CABCVRRESA-N 271.395 4.633 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1CC(=C2CCC2)C1 2271834085 ZGKAHYAIFUHGGK-SFHVURJKSA-N 261.453 4.992 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CCC(F)(F)C1 2271834945 MGVROSPIGXEGID-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CCC1CCC([C@@](C)(N)C#CC2CCCCC2)CC1 2273995973 SGBCUBRCPQZLOJ-VJFUWPCTSA-N 261.453 4.504 30 10 CJEE CC(C)(C1CCCCC1)[C@H](O)C#CC1CCCCC1 2274050575 IVEDMWGUHJWRAV-QGZVFWFLSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(=O)O)C(C)C 2275481457 KZPXPBQHXZBMAT-MRXNPFEDSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)[C@@H](C)CCC 2276475083 LECRZBRSOQODTB-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC[C@H](CC)C1 2276605912 PSTMNXMOXUQDIV-DLBZAZTESA-N 269.473 4.661 30 10 CJEE C=CCC[C@](C)(CCCCCC(C)C)OCCCN 2276608841 QXNLEEPSRRZFOB-QGZVFWFLSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)C(C)C)OCCN 2276669702 LIZJNTLSAVRZBK-INIZCTEOSA-N 271.489 4.763 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@](C)(O)C(C)C 2278242119 YQEIBJNTYKQOPZ-IRXDYDNUSA-N 271.489 4.512 30 10 CJEE CCCC[C@H](CC)CSCCC[C@@](C#N)(CC)NC 2278323464 KKDROQHTOKGZKA-JKSUJKDBSA-N 284.513 4.608 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC[C@H]1CCCCC12CC2 2279659304 CHFCLMVWGAKOCA-KURKYZTESA-N 273.464 4.920 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(F)ccc2Cl)C1 2283347757 QWBNYALJMQTJLK-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CSCC(C)C 2284070229 CYGUXLHZGAGWCP-KRWDZBQOSA-N 295.536 4.740 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CC[C@@H]2N 2287062945 LKSQGSLLECSLKX-HNNXBMFYSA-N 290.476 4.646 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@H]1C(F)(F)C12CCC2 2287464908 FCDFVHXUFIYYPT-HUUCEWRRSA-N 285.422 4.927 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCSC1CC2(CCC2)C1 2288954724 UPHLPCXJKMBUEP-INIZCTEOSA-N 294.508 4.503 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1c(F)cccc1Cl 2289672266 PDYZWSIELHNNSZ-INIZCTEOSA-N 293.813 4.713 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1ccccc1C(C)C 2289871913 XSDBOBPSKIAQMO-IBGZPJMESA-N 269.432 4.654 30 10 CJEE C=C[C@H](CC)O[C@H]1[C@@H](NCCC)C(C)(C)CCC1(C)C 2290221278 ILUUDPZAOSLYRY-OAGGEKHMSA-N 281.484 4.551 30 10 CJEE C=C(CN[C@H]1CC(C)(C)CCC1(C)C)c1ccccc1 2290331581 QKJRPVYZLPLKIW-KRWDZBQOSA-N 271.448 4.894 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@@H]1C[C@H]1CCC 2290627045 KCXYOOJIWSRBAL-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE C=C(C)C[C@@](CC)(CC1CCCCC1)OCCC(=O)O 2291157297 YMDMQGUARRNNHD-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](CCCCCC)OCC(=O)O 2291304773 DQZBSTBQIFCXRO-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCC(=O)O)[C@H](C)CC(C)C 2291625923 ZHYHRFSGXRRSER-DYVFJYSZSA-N 284.440 4.521 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@@H](C)CC(C)C 2291640921 PNPLJUQXPQVTSE-RDJZCZTQSA-N 286.456 4.889 30 10 CJEE CCCCCCCCC[C@](C)(OCC(=O)O)[C@H]1C[C@H]1C 2291705466 DHAWPLCICFSNHA-VYDXJSESSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)C(CC)(CC)CC 2292712243 KNKGUQFGLCOGPF-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@]1(OCCN)CCCCC[C@@H]1CC 2292794344 CDEDFPFFPZZCIO-ROUUACIJSA-N 281.484 4.827 30 10 CJEE C=CCCCCC[C@@H](OCCCN)c1cc(C)c(C)s1 2292886347 WCCRHZRGLRDYTO-MRXNPFEDSA-N 295.492 4.908 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1CCC 2293467316 TXABLFITBSKYEW-KSZLIROESA-N 283.500 4.907 30 10 CJEE C=C(C(C)(C)C)[C@@]1(OCCN)CCCCC[C@H]1C(C)C 2294267505 SWQIVUFHGNFGNQ-WMZOPIPTSA-N 281.484 4.539 30 10 CJEE CCCC#CCC(=O)[C@@](C)(O)CCCCCCCCC 2295603441 MFNZURVFYMZDJM-SFHVURJKSA-N 280.452 4.641 30 10 CJEE C=C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)C1CCC1 2295715599 YALRJLJEVHDPNX-MOPGFXCFSA-N 269.432 4.862 30 10 CJEE O=C(C1=CCCCC1)c1cc(F)c(Cl)cc1Cl 2306251333 KMXWVLVNNMFNMY-UHFFFAOYSA-N 273.134 4.816 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C)NC 2312117829 JQMRIJXFQWFBRI-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCCN1CC[C@@H](SC)CC12CC2 2313953462 ALQYMXRZWSKWEB-OAHLLOKOSA-N 269.498 4.707 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CCC[C@H]2CC3)CCCSC1 2317000952 HGXGSAGBTXDSMJ-YHUYYLMFSA-N 263.450 4.630 30 10 CJEE C=CC[C@H](C)[C@H](CC1CC(C(C)(C)C)C1)NCC 2321113027 KVFOGXDQOHEQCR-LBDPXKHJSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(C(C)(C)C)C1)NCC 2321113030 KVFOGXDQOHEQCR-SLTXQBBLSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H]1CCCC(F)(F)C1 2321117271 NQWWTGOHEMMYSH-IHRRRGAJSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1CCCC(C)(C)C1 2321118156 RLXRBDMNYXULDM-INMHGKMJSA-N 251.458 4.913 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@H]1C[C@@H](F)C1 2327396855 IQMVKFSOJVXESY-XHSDSOJGSA-N 257.437 4.983 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 2329733445 YXBYZKMWDQXFOB-APIJFGDWSA-N 274.395 4.779 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NC 2333327898 JKSMAGHGZMDJNG-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1c(F)ccc(C)c1Cl 2337103495 JNDVOONYGJWXRR-WFASDCNBSA-N 281.802 4.622 30 10 CJEE CCCCCCCC[C@@H](N)[C@@](C)(O)CCCC(C)C 2337749938 GNCLUEPYWANHRV-SJORKVTESA-N 271.489 4.642 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1CC12CCCC2 2338747534 QRKOIXDAOIPOCN-SJORKVTESA-N 261.453 4.703 30 10 CJEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2339569649 RRAACNBWWOVVCA-WFASDCNBSA-N 296.241 4.694 30 10 CJEE COCc1ccc(CC2(C#N)CCCCCCC2)s1 2342137010 QLDWDJFTAFPDLO-UHFFFAOYSA-N 277.433 4.691 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CC[C@@H]1C1CC1)NCC 2342285007 LAHIFFADPAJQQO-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1ccc(C#N)c(Cl)c1 2343158687 ZLZPHRCHIIEGBO-GXTWGEPZSA-N 277.795 4.663 30 10 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C=C(C)CCCC[C@@H](NN)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2359654928 UJKOMKYCSVUCKR-WNRNVDISSA-N 278.484 4.561 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc2c(c1)CCCC2 2360209589 GDRANBRRIZJBFR-OAHLLOKOSA-N 269.432 4.737 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@H]1CCC1(F)F)NN 2360487953 ZJBAHRSHAYMKRN-CABCVRRESA-N 288.426 4.561 30 10 CJEE N#Cc1cc(F)ccc1Nc1ccc(Cl)c(Cl)c1 71631495 YIXRIVUOXKAHJT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCSc1ccc(-c2cc(C#N)c(C)s2)cc1 77095577 UPTFLPWJXYABCE-UHFFFAOYSA-N 259.399 4.707 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C(C)C)CC1 86946080 GOGCPRAEZJEGDC-IAGOWNOFSA-N 270.420 4.884 30 10 CJEE CCC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86949107 GPHNRXSFZFPEDV-NVXWUHKLSA-N 256.393 4.741 30 10 CJEE CN(Cc1cccc(F)c1)CC1(CS)CCCCCC1 94578843 JIBKTRTYNLESJG-UHFFFAOYSA-N 295.467 4.528 30 10 CJEE C=CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95631368 AIEQODXBKUABOH-UHFFFAOYSA-N 268.200 4.843 30 10 CJEE C#CCCC[C@H](NCCC)C1CCC(C(F)(F)F)CC1 97390309 JIUVRCDTIHGRFV-NRXISQOPSA-N 289.385 4.527 30 10 CJEE CCOc1ccc(/C=N/c2ccc3ccccc3c2)cc1 100345322 NKVZPSQBPHJWJI-XSFVSMFZSA-N 275.351 4.989 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCCO1 103464670 MYBDZSZRWIAMKE-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(F)c(C)c1 103930807 PARYSQISWXVBCL-INIZCTEOSA-N 252.373 4.918 30 10 CJEE CCCCCCCCCCCCN(CC)C[C@H](C)C(=O)O 108251980 WWZFCDITFVLHSC-KRWDZBQOSA-N 299.499 4.950 30 10 CJEE CCCCCCCO[C@H](C)[C@@H](NC)c1ccc(CC)cc1 110081564 QXXPBMWGHXOYPV-VQIMIIECSA-N 291.479 4.885 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2c(c1)CC(C)(C)O2 110234040 ZWKHQWOZUDYSID-MRXNPFEDSA-N 275.436 4.760 30 10 CJEE CCCCCCC[C@H](Nc1ccccc1C)C(=O)OCC 110318849 UQETXDPRHAPBBC-KRWDZBQOSA-N 291.435 4.699 30 10 CJEE C#CCC[C@@H](NCCC)C(CC)(CC)c1ccccc1 110923955 YVMMRXGIEQADFO-GOSISDBHSA-N 271.448 4.526 30 10 CJEE CCCCCCCCOCc1c(N)cccc1Cl 111333067 ZNOLVDDBWBJNNF-UHFFFAOYSA-N 269.816 4.799 30 10 CJEE CCCCCCCCCCCCn1ccc(C(=O)O)n1 112930103 LUHIKJNIAMNMNB-UHFFFAOYSA-N 280.412 4.502 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@H]1[C@@H](C)CC 114068366 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CCCC[C@H](CCC)Nc1c(F)cc(C#N)cc1F 226031001 LEQGOHQEIRTPOX-LBPRGKRZSA-N 266.335 4.607 30 10 CJEE CCCCCCCCNCc1c(Cl)cccc1OC 228746718 QOLNDWVRWRXKHM-UHFFFAOYSA-N 283.843 4.799 30 10 CJEE CCCCCCCC[C@H](O)CCc1ccsc1 229524997 RBQUJRVAWTUTTR-HNNXBMFYSA-N 254.439 4.792 30 10 CJEE C=C(C)C[C@@H](N)c1ccc2cc(Br)ccc2c1 229740674 UKJZXPFFCYDSHN-OAHLLOKOSA-N 290.204 4.568 30 10 CJEE CC(C)(CCC#N)CNc1cc(Cl)c(F)c(Cl)c1 232028257 CHAHPABVDCOBCA-UHFFFAOYSA-N 289.181 4.874 30 10 CJEE CC(C)c1ccc(Oc2nccc(C#N)c2Cl)cc1 232744968 KXEOYECDBIYSGL-UHFFFAOYSA-N 272.735 4.522 30 10 CJEE CCCCCCC[C@@H](O)c1c(C)cc(C)cc1OC 232925231 YOECEEVTRSXMOG-OAHLLOKOSA-N 264.409 4.706 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)N)c(F)c1 232938614 ZKUNZXDXEISFKL-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC1CC1)C(C)C 232973898 DHMOXBOBUSCBMS-GOSISDBHSA-N 282.516 4.575 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCCCCCC2)cc1Cl 235912507 XCHDTZHJKQKJSC-INIZCTEOSA-N 291.822 4.936 30 10 CJEE CCCCCC[C@H](C)O[C@@H]1CCCCC[C@H]1C#N 250824921 NDANBSQKYJMKOP-HRCADAONSA-N 251.414 4.834 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1cccc2ccccc12 251889537 VWSVUMKTUOEQKF-QFBILLFUSA-N 278.399 4.669 30 10 CJEE CSc1ccc([C@@H](CC#N)C2CC2)cc1Br 260605506 NWCFHCMQVLIBOF-NSHDSACASA-N 296.233 4.578 30 10 CJEE Cc1cc(Nc2c(Cl)ccc(C)c2Cl)cc(C#N)n1 308276209 GXJOIRBSBCQEJO-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CCCCCNC1CC(c2ccccc2Cl)C1 311016924 NCAZIWRKHSIUJU-UHFFFAOYSA-N 263.812 4.532 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(CCC)cc1 312019909 KSZUJSTWKMGMEE-OAHLLOKOSA-N 259.437 4.892 30 10 CJEE CC(C)C1CCC([C@@H](C#N)Nc2ccc(F)cc2)CC1 312271267 MRNSOUSEOBNRHE-MQBCKMQZSA-N 274.383 4.592 30 10 CJEE CCCCCCCCCCNc1ncnc2scnc12 320918684 BJHFVTRLSHPGOB-UHFFFAOYSA-N 292.452 4.639 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(SCC)cc1 379871737 FAGIHFXCPYTQMU-KRWDZBQOSA-N 289.488 4.889 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1cnc(C)n1C 380250687 PLZUYPAABJZFNE-MRXNPFEDSA-N 279.472 4.649 30 10 CJEE CC(C)C1CCC([C@H](O)[C@@]2(C#N)CCCC[C@H]2C)CC1 384763752 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HTSVSUGWYREXOF-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE C=CCCCCCCCCO[C@H](C)CCCCNC 2340357388 SMXVUWGDZIEGCC-QGZVFWFLSA-N 269.473 4.698 30 10 CJEE CCC[C@H](OC[C@@H](CS)C1CCC1)c1ccccc1 2340466700 MGWMCDMFVKPLJW-IRXDYDNUSA-N 278.461 4.891 30 10 CJEE CC1(C)CC[C@]1(C=O)Cc1cccc(C2CCC2)c1 2343807812 MOZZFJKTYPTJED-GOSISDBHSA-N 256.389 4.502 30 10 CJEE C#Cc1cc(N[C@@H](C)c2csc(Cl)c2)ccc1OC 2344080644 ZBOLNILEOZEHLS-JTQLQIEISA-N 291.803 4.565 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccc(CCCC)cc1 2344344179 HMBMTMYPXPRFFZ-KRWDZBQOSA-N 259.437 4.892 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(F)c2ccccc12 2344477114 QSOFARSYJDTTJG-INIZCTEOSA-N 258.336 4.615 30 10 CJEE CC[C@@]1(C)CCCN(C[C@](C)(CS)C(C)(C)C)CC1 2352172911 BVHCTQCDAMGOOW-DLBZAZTESA-N 285.541 4.871 30 10 CJEE CCCCCCCC[C@H](O)c1cncc(C(F)F)c1 2353487333 JDZYSDQZIWYGCJ-AWEZNQCLSA-N 271.351 4.803 30 10 CJEE O=C[C@]1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354835963 SWIXBIULSULTAY-KNCOVGOOSA-N 282.374 4.597 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354888419 FXKDHUVNPSBWGE-ZWJWXYIHSA-N 275.480 4.927 30 10 CJEE C=CCC(CC=C)OC(=O)c1cccc2ccccc12 2360341579 YAXBHCUAALDSFL-UHFFFAOYSA-N 266.340 4.517 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](CC)NCC)cn1 2360376480 SFXZHOLCTZTDDZ-INIZCTEOSA-N 290.476 4.755 30 10 CJEE N#Cc1ccccc1NC1CC(c2ccc(Cl)cc2)C1 36842274 SDIRRPJELOUJNX-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE Cc1c(-c2cc3c(s2)CCCCC3)sc(C#N)c1N 44273708 GKNCGPWEIOPSMO-UHFFFAOYSA-N 288.441 4.508 30 10 CJEE N#C[C@H](C(=O)c1cc2ccccc2s1)c1ccc(F)cc1 48855700 YSOXGDIOQJRZRZ-AWEZNQCLSA-N 295.338 4.530 30 10 CJEE CCCCCCCCCOc1cccc(CNC)c1 59178812 KNDVTWOARRYLEZ-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE CCCCCCCOc1ccc(C(F)(F)F)cc1CN 59211495 NADMQBBODXPOBH-UHFFFAOYSA-N 289.341 4.513 30 10 CJEE CCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 62167855 BZSIGSBULWKEGL-MDWZMJQESA-N 280.367 4.680 30 10 CJEE Cc1ccc2cccc(Oc3cc(Cl)ccc3C#N)c2n1 62790209 NHEDVMNYUDVPKS-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE N#C[C@@H](CSc1ccccc1Cl)c1ccccc1 80800623 RMULPYIKARNXOT-ZDUSSCGKSA-N 273.788 4.739 30 10 CJEE N#Cc1cc(Cl)ccc1N1CCCCc2ccccc21 88336820 YWCPAGUNTUWONX-UHFFFAOYSA-N 282.774 4.686 30 10 CJEE CN(CC1(CS)CCCCCC1)C1CCCCCC1 94579192 SCLVQZKOJWVLCK-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE Cc1nn(CCCCCCCCCS)cc1Cl 97799995 MMCXLYJSHIHQCW-UHFFFAOYSA-N 274.861 4.505 30 10 CJEE CCOc1c(Cl)cc(Cl)cc1C[C@H](C)CS 107655663 WEMJJGSILBTABB-QMMMGPOBSA-N 279.232 4.501 30 10 CJEE CCCCCCC[C@](C)(NC)c1nc(CC)c(C)s1 109689384 RDFMJGVRVZOWCP-INIZCTEOSA-N 282.497 4.809 30 10 CJEE CCCCCCCOC[C@H](O)c1ccc2ccccc2c1 110022486 IYDZPSXQPULHKA-IBGZPJMESA-N 286.415 4.860 30 10 CJEE Cc1cc(C)c(C#N)c(Nc2c(C)cccc2C(C)C)n1 110252422 YTNFLNSQLKXESI-UHFFFAOYSA-N 279.387 4.746 30 10 CJEE Cc1ccc(Cl)c(Oc2cc(C)ccc2C#N)c1 110262528 VHGSGVONPWIUMF-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCC(=O)CC(=O)c1ccc(CC)s1 110325764 FSOIWIOYFPADSV-UHFFFAOYSA-N 280.433 4.813 30 10 CJEE CCCCCCCCCCCCN1CCNCC[C@@H]1C 114078781 COEPKDBFKMTWNC-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCCCCCCc1nc(C2CCCC2)n[nH]1 115063902 OZJMXVVIIOAEBS-UHFFFAOYSA-N 263.429 4.755 30 10 CJEE CCCCCCCCCC[C@H](NCCC)c1ccn(C)n1 115689269 OILOIBNLURSYMX-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CCCCCCCC[C@@]1(C(=O)O)CCc2ccccc2C1 115841338 GMKSUQNCBKVCRO-LJQANCHMSA-N 288.431 4.997 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1COc2ccccc2C1 115841479 VGUJKUGFOUHHQO-KRWDZBQOSA-N 288.431 4.948 30 10 CJEE CCCCCCCCCC(=O)N[C@H](C)c1ccccc1N 115854569 FKOXUDOAIKYTLF-OAHLLOKOSA-N 290.451 4.587 30 10 CJEE CCCCCCCCCn1ccc([C@@H](N)C2CC2)c1 118248196 VMZBBKWCWMSJMK-KRWDZBQOSA-N 262.441 4.649 30 10 CJEE CCCCCCCSc1cc(OCC)ccc1N 118715574 NVMPYYDVWPGPCC-UHFFFAOYSA-N 267.438 4.730 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CCC)OCC 122397573 NTLNTSAGIDJTHA-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CC[C@H](Nc1ccc(F)cc1C#N)c1cccc(Cl)c1 126278157 MWSMPRDMTFOIFQ-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCC[C@H](F)[C@H]1CCCNC1 127077515 AJIDYTWJLFYRNP-HOTGVXAUSA-N 257.437 4.855 30 10 CJEE CCCCCCCCCCN[C@@H]1CCOC2(CCC2)C1 129369199 OVIGFKPYILPTFC-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C=CCn1c(CC)nc(C2CCC(C(C)(C)C)CC2)c1N 130215810 CZYAMXLXLHWBGX-UHFFFAOYSA-N 289.467 4.534 30 10 CJEE CCSc1cccc(OC[C@@H]2CC=CC[C@@H]2C)c1C#N 136710849 QZHJGENWBFHMTQ-KBPBESRZSA-N 287.428 4.651 30 10 CJEE CCCCCCCOc1ccc([C@H](CC)NCCC)nc1 162245370 GLMDLMYBSLHTLC-KRWDZBQOSA-N 292.467 4.882 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H]1CCCCO1 162340167 KWQJDUYGDSPIOD-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCC[C@H](NCc1ccc(C#N)cc1C)c1cccs1 165249270 UXLBOAXANBFSJL-INIZCTEOSA-N 284.428 4.559 30 10 CJEE CC(C)CC(O)(CC(C)C)[C@@]1(C#N)CCC[C@@H](C)C1 165725610 OAGVJUOGJLJAOC-CVEARBPZSA-N 265.441 4.530 30 10 CJEE CCCCCCCCCCCOCCNC(C)(C)C 168767990 YBGINETXDWSNHL-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE C=C(C)CCN[C@@H](C)c1ccc(Cl)cc1Cl 168947516 TYFHFDZCJGXYQM-JTQLQIEISA-N 258.192 4.610 30 10 CJEE C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccc(C#N)cc1 187045688 MCTRTJMMECDACZ-LBPRGKRZSA-N 286.325 4.843 30 10 CJEE Cc1cccc(C#N)c1Nc1ccc(C(C)C)cc1 220988051 FSOPJQDNUHKCQC-UHFFFAOYSA-N 250.345 4.734 30 10 CJEE CCCCCC[C@H](C)O[C@H]1CCC[C@](C#N)(NC(C)C)C1 227320671 BERLBDIVWWVURM-BZSNNMDCSA-N 294.483 4.565 30 10 CJEE N#Cc1cccc(Nc2ccc(Cl)cc2C(F)(F)F)c1 227604873 MDTIKPACWOBUDS-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE CCCCCCC[C@@]1(C)C[C@@H](O)c2cc(F)ccc2O1 229359391 CLRZZBYPUPEOIS-WBVHZDCISA-N 280.383 4.761 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc(C)co2)C1 232848534 BIILZDQGCOWHTP-MCIONIFRSA-N 292.448 4.820 30 10 CJEE CCCCCCCCCCNc1ccc(OC)cn1 232923773 KJESQDROWAPUTJ-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCc1c(-c2ccc(Cl)c(F)c2)sc(C#N)c1N 233398698 BWFMIEQUNHKPHZ-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CC[C@@H]1CCCN1[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 251637271 FTQSBHWFWNMLGT-MWDXBVQZSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CCCCN1[C@H](C#N)c1cccc2ccccc12 251889539 VWSVUMKTUOEQKF-VQIMIIECSA-N 278.399 4.669 30 10 CJEE CCc1ccc(C=Nc2sc(C)c(C)c2C#N)cc1 252592798 BHOIOEYCGSEJIE-UHFFFAOYSA-N 268.385 4.550 30 10 CJEE CCSc1cccc(O[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 252821641 QFOYMGRTALLJAT-WDNDVIMCSA-N 289.444 4.874 30 10 CJEE C=CCn1c(C(C)C)nc(C2CCCCCCC2)c1N 312156929 RXJXGUDTLLXXJE-UHFFFAOYSA-N 275.440 4.603 30 10 CJEE CCCCCCCCCC(=O)c1ccnc(OC)c1F 312783251 DPUORAZJMUAWDC-UHFFFAOYSA-N 281.371 4.553 30 10 CJEE O=C[C@@]1(Cc2cccc(Cl)c2Cl)C[C@H]2CC[C@H]1C2 316381860 DCJMVPNWJFXJGK-WBIUFABUSA-N 283.198 4.541 30 10 CJEE Cc1cc(C)c(CC2(C=O)CCCCCC2)c(C)c1 316914845 DKUHJFIBJDUYNH-UHFFFAOYSA-N 258.405 4.694 30 10 CJEE C=C(CC)C[C@]1(CNC(C)C)CCc2ccccc2C1 317475814 AFZQDXFYFRNOGE-LJQANCHMSA-N 271.448 4.516 30 10 CJEE C=CCCC[C@@]1(CNCC(C)C)CCCC[C@H]1C 318488426 LOPIIHHWTGUEGD-SJORKVTESA-N 251.458 4.785 30 10 CJEE C=CC[C@@H](NCCC)c1ccc2ccccc2c1C 384448368 ARGTZRDTVXQASY-GOSISDBHSA-N 253.389 4.765 30 10 CJEE N#CCCCCCOc1ccc(-c2ccccc2)cc1 385234379 OPNZORFMIHBRMJ-UHFFFAOYSA-N 265.356 4.816 30 10 CJEE CC(C)(C)SCC[C@@]1(C#N)CCc2ccccc2C1 388600943 DCKLTOJZXVZLAF-KRWDZBQOSA-N 273.445 4.607 30 10 CJEE CCCC[C@H](CCC)/N=C1/N[C@H](CC(C)(C)C)CS1 393493272 USOMLZZFZIQBFV-UONOGXRCSA-N 284.513 4.843 30 10 CJEE CCC[C@H](NC[C@@H](C#N)C1CCCCC1)c1cccs1 397196761 NRCGMOHPAHVQLN-CVEARBPZSA-N 290.476 4.899 30 10 CJEE N#C[C@@H](CNc1cccc2ccccc12)C1CCCC1 397223337 QIRGDIYHYFCLSB-INIZCTEOSA-N 264.372 4.582 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@]1(C)C[C@@H]1F 399263848 DIZSJASYWRBYKM-HRCADAONSA-N 257.437 4.853 30 10 CJEE CCCCCCCCCCC(=O)[C@H](C(C)C)[C@@H](C)N 399467974 UOIDGYDEZQGRQG-NVXWUHKLSA-N 269.473 4.706 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@H](C#N)Nc1ccc(C)cc1 401517561 ZWWHRSWUWDMCQJ-OIISXLGYSA-N 256.393 4.516 30 10 CJEE N#Cc1cc(F)c(F)cc1-c1cccc(C(F)(F)F)c1 514261012 ZIEBDALQHHZOSP-UHFFFAOYSA-N 283.199 4.522 30 10 CJEE CCc1cc(OC(F)F)cc(C(F)(F)F)c1C(F)F 575653639 IILLWBLJUCQIFL-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CC2CCC(O)CC2)C1 688339589 VMPVNUBWJNYEMD-UHFFFAOYSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)CCC1CCC1 688632527 GPGONNCGXFSTQK-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CC[C@@H](CC(F)F)C[C@]1(C#N)CCc2ccccc2C1 688754826 MQLSPWNUOWRKJS-SUMWQHHRSA-N 277.358 4.757 30 10 CJEE N#Cc1c(Cl)cccc1N1CCC[C@@H]1C1CCCCC1 688792831 GVYFLFVYPUVAQU-MRXNPFEDSA-N 288.822 4.761 30 10 CJEE CCCCCCC[C@H](C)NC[C@]12CCCC[C@@H]1C2 693558422 MVFZNTAESZSLDX-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CNC[C@@H]1C 695307060 MQBIBBJFJZNDNI-KSZLIROESA-N 283.500 4.514 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1coc2ccccc12 695731430 TYUHNUSBAKGJKE-UHFFFAOYSA-N 282.730 4.570 30 10 CJEE CCC[C@H]1CCCCN(c2ccc(C#N)cc2Cl)C1 703205249 LBVMWZXZSBKNCG-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CCCCCCCNc1cc(OC(C)C)c(F)cc1N 705834443 KRNIGKCAAHWWEL-UHFFFAOYSA-N 282.403 4.577 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCC(C)(C)c2ccccc21 706425270 PRDUMFNYWCKKJX-KRWDZBQOSA-N 271.448 4.991 30 10 CJEE Cc1nc(CC2(C#N)CCC(C(C)C)CC2)c(C)s1 707894619 LVMUOYQYMAIJKU-UHFFFAOYSA-N 276.449 4.659 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1ccc2ccccc2c1 709980347 NICRKHPCRDUXSR-CYBMUJFWSA-N 253.345 4.547 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@H]1CC(C)(C)OC1(C)C 711359156 ITTHRZUSLCLOSN-RDTXWAMCSA-N 281.484 4.551 30 10 CJEE CCC[C@@H](/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713287516 VZBOLSOCXWMOOX-OAHLLOKOSA-N 294.508 4.741 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(Br)c1C 715717372 BTPHEDLZIMOYBX-IAQYHMDHSA-N 296.252 4.620 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc2c(s1)CCCC2 715812704 HNUCYDMWMCZTEE-SUMWQHHRSA-N 277.477 4.880 30 10 CJEE CCCCCCC[C@@H](C)n1cc(CNC)c(C(C)C)n1 716628346 MMWBWDRRRDFMQW-OAHLLOKOSA-N 279.472 4.647 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1CC(C)(C)CO1 717025543 JYYHTZPCMACJOV-HZPDHXFCSA-N 269.473 4.660 30 10 CJEE CCCCCCCCSC(=N)NCc1ccccc1 718954772 JSPFZLWJJRKDLQ-UHFFFAOYSA-N 278.465 4.805 30 10 CJEE C=C1CCC(CN[C@@H](C)c2cnc3ccsc3c2)CC1 724446972 OSRCXUPDOJEBDK-ZDUSSCGKSA-N 286.444 4.693 30 10 CJEE C=CC(C)(C)CCCN[C@H](C)c1ccc(C(F)F)nc1 872100129 HKAKLRLDDCNDCR-GFCCVEGCSA-N 282.378 4.662 30 10 CJEE C=CCC1(C(=O)N[C@H](C)c2ccccc2Cl)CCCC1 1128714365 MWEUBRNELJCGKM-CYBMUJFWSA-N 291.822 4.654 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@@H](CCCC)C(C)C 1131970878 WPCXTEPRPYJMAJ-HNNXBMFYSA-N 267.457 4.557 30 10 CJEE C=C[C@H](C(=O)N1CCCC(CC)(CC)CC1)c1ccccc1 1154335970 SOYBBYHJTPMCLJ-SFHVURJKSA-N 299.458 4.775 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)c1cccc(C)c1 1167138213 KKAZHDCQKHUBCT-INIZCTEOSA-N 283.390 4.883 30 10 CJEE C=CC[C@H](C)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1170217408 QDBUCLWCSKTQFW-XHDPSFHLSA-N 299.336 4.591 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1C[C@H]1c1ccccc1 1180281017 TVIKNVJUZVZHEY-SFTDATJTSA-N 291.438 4.521 30 10 CJEE C=CCCCCCN1CC[C@@H](C(C)(C)C)C[C@@H]1C 1194807483 SOMABDZPNFOZBU-JKSUJKDBSA-N 251.458 4.879 30 10 CJEE C=CCC[C@@H](NCc1cc2cccnc2o1)c1ccccc1 1201557450 ITTOLGIWBSETAE-GOSISDBHSA-N 292.382 4.625 30 10 CJEE C=CCCCCCN(C)CCCc1ccc(F)c(F)c1 1204768687 LXTXFZAGIZGNQY-UHFFFAOYSA-N 281.390 4.576 30 10 CJEE C#C[C@H](NC1CCC(CC)(CC)CC1)c1ccc(F)cc1 1205980557 OVSZOFODJDZIND-SFHVURJKSA-N 287.422 4.839 30 10 CJEE C=CC[C@H](CC)NC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1234351470 KQAAPADMIUBFFC-OWCLPIDISA-N 294.483 4.635 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(C(F)(F)F)cc1F 1240396113 FRHCVLFZLMNVHU-UHFFFAOYSA-N 283.199 4.522 30 10 CJEE C=CCc1ccc(OC(=O)[C@H](CC)CCCC)c(OC)c1 1264049831 PDGIXRTYTSUGLB-OAHLLOKOSA-N 290.403 4.546 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 1289567096 MHDKWQXRTCEDOW-RAXLEYEMSA-N 257.377 4.651 30 10 CJEE C=C(CC)CN(CC(C)C)c1cccc(Cl)c1 1307769448 HBTISFFEHHYFRW-UHFFFAOYSA-N 251.801 4.769 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](CC)C2CCCC2)c1 1311298417 MLBPQQJGAYZMLU-KRWDZBQOSA-N 286.419 4.810 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)c1ccccc1 1354706660 VCZTXYQFHBWIOL-UHOSZYNNSA-N 299.458 4.821 30 10 CJEE C=C[C@H](CC(=O)Oc1ccccc1Cl)c1ccccc1 1354776251 ZCTWXTOVEPMVRT-CYBMUJFWSA-N 286.758 4.605 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(SC)c(Cl)c1 1361269824 MZNFHYJPLMPWEN-UHFFFAOYSA-N 295.835 4.584 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@H]2CCC(C)=C(C)C2)c1 1435024259 NKAKZVJXSORWJJ-INIZCTEOSA-N 299.414 4.717 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1ccccc1 1438921449 OFFHWAPIFLBEEZ-ZWKOTPCHSA-N 297.442 4.781 30 10 CJEE C=C[C@H](C(=O)N1CCCC2(CCCC2)CC1)c1ccccc1 1453322203 GWVRVZYXAVWPKF-SFHVURJKSA-N 297.442 4.529 30 10 CJEE C=CCC[C@H]1CCCN1CCc1cccc(Cl)c1Cl 1460885330 FKQYSJLWYKWTEH-AWEZNQCLSA-N 298.257 4.967 30 10 CJEE C=CCCCCCN(C)Cc1cnc(CC(C)C)s1 1461955791 DQHCDLTXOGLYHN-UHFFFAOYSA-N 280.481 4.520 30 10 CJEE C=CCC[C@@H](CC)Nc1ccc(CN(CC)CC)cc1 1462099366 ZWFHCMFIGLUFRQ-QGZVFWFLSA-N 274.452 4.685 30 10 CJEE C=CCC[C@@H](C)N[C@H]1CCc2ccc(C(C)C)cc21 1462127469 LGUDAPKEJUVJIT-KDOFPFPSSA-N 257.421 4.742 30 10 CJEE C#Cc1ccc(N[C@@H](CC)Cc2cccs2)c(Cl)c1 1462628365 LAJODRIPWCACKN-ZDUSSCGKSA-N 289.831 4.816 30 10 CJEE C=CCCCN(CC)C/C=C\c1c(C)cc(C)cc1C 1462634738 MNEQAIFMUJYCTI-KHPPLWFESA-N 271.448 4.913 30 10 CJEE C=CCCCCCCCNC(=O)Nc1cc(F)ccc1F 1464917414 QKENJHBZFVQLLT-UHFFFAOYSA-N 296.361 4.613 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)OC[C@H]1C 1473605879 OSKNMSVBVVESFS-SJORKVTESA-N 269.473 4.626 30 10 CJEE 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264.409 4.794 30 10 CJEE C#CCCC[C@H](NCCC)[C@@H]1CCC[C@H](CC)CC1 2103071279 AYNUZJWKMSPDDR-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCCCCC[C@H](N)c1ncoc1C(C)(C)C 2104126900 GCBFHZCEIHBBFR-ZDUSSCGKSA-N 266.429 4.723 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2CSC[C@@H]2C1 2104792186 XHEBQNGRQDQJDD-FVQHAEBGSA-N 283.525 4.858 30 10 CJEE CCCCCCCCCCCC[C@@H](N)C(C)(C)CN 2107805370 ZKQZIJARJQWNMB-MRXNPFEDSA-N 270.505 4.610 30 10 CJEE CCCCCCCCCC[C@@H](N)c1nc(CC)ns1 2108234348 OEDIYCUJMHRCIX-CYBMUJFWSA-N 283.485 4.631 30 10 CJEE CCCCCCCCC[C@@H]1CCOC[C@@H]1NCCC 2108291411 NCUYTOROOXXNMX-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1C[C@H]2CCCCCC[C@H]21 2109839972 PMRXNHWGFNVVSM-TVFCKZIOSA-N 263.469 4.927 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@]1(C)CCCC1(F)F 2111692425 MKZZOUPFFFPJPD-GJZGRUSLSA-N 273.411 4.782 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CCCC[C@H]2CC)CCC1 2111722226 NNHHGMQFZGNNNU-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C[C@@H]1CCC[C@H]([C@](C)(C#N)Nc2ccc(Cl)cc2)C1 2112270425 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CJEE CCCCCCCCCCCOC[C@H]1NCCC[C@H]1C 2239487476 QQJCZZLMMOOWQI-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@H]1CNCCC 2239501320 LTNOFMYTBVRDGT-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCC[C@@H](C(C)C)[C@H](C#Cc1ccc(Cl)cc1)NCC 2239568305 KGWWADVCTBIEQS-ROUUACIJSA-N 291.866 4.742 30 10 CJEE C=CCC[C@@H](C)Oc1cccc(C)c1CN[C@@H](C)CC 2240233028 RTABJDGIJVTMMV-JKSUJKDBSA-N 275.436 4.617 30 10 CJEE CCCCCCCCCCOc1c(N)cnn1C(C)C 2240595652 BJOJLFAXSFLBBJ-UHFFFAOYSA-N 281.444 4.566 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1cccc(F)c1F 2240613502 VHORZGVQQGKQLB-QGZVFWFLSA-N 283.406 4.975 30 10 CJEE CCCCCCCC[C@H](C)NCc1cnc(C)cc1C 2240637749 MAWKLABYNKTVQQ-INIZCTEOSA-N 276.468 4.927 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CC[C@@H]1CC1(C)C 2240639006 AJSQDKVNEHNUEX-QAPCUYQASA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1CCN1C(C)(C)C 2240640760 TZBMPILKZSADSN-SJORKVTESA-N 282.516 4.588 30 10 CJEE CCCCCCCCCN1C[C@@H](O)CC12CCCCC2 2241044424 MFHKRPGYZQMFKQ-KRWDZBQOSA-N 281.484 4.507 30 10 CJEE C=C(C)CC[C@@H](N)c1scc(Br)c1Cl 2241234789 KGVVPCDJEKPMAT-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CC(F)(F)C12CCC2 2241412148 GWNBGLDSSMZVHT-MRXNPFEDSA-N 291.385 4.500 30 10 CJEE C=C(Br)CCSCC1CC2(CCC2)C1 2241541688 PQNHHIOKXCRFGC-UHFFFAOYSA-N 275.255 4.599 30 10 CJEE CC1CC(CS)(CS[C@H]2CCC[C@@H](C)C2)C1 2242887515 WWSJBUSLNGBMTA-ZIHBUVQPSA-N 258.496 4.644 30 10 CJEE C=C(C)C[C@@H](N)c1cc(Br)cc(C(C)C)c1 2243088120 KSTYOACETPSVHI-CQSZACIVSA-N 282.225 4.539 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccccc1Br 2244644593 OEWXIESNQPQGJN-AWEZNQCLSA-N 283.209 4.619 30 10 CJEE C=C(C)CCCCNc1cc(Cl)c(F)cc1C 2250147725 NRLCHMAXVNSWAZ-UHFFFAOYSA-N 255.764 4.946 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C=O)CCCC(F)(F)C1 2254588460 HPQJXKMCLPVVMB-MCIONIFRSA-N 258.352 4.597 30 10 CJEE C[C@@H]1CC[C@](C#N)(C[C@H]2CC(F)(F)C23CCC3)C1 2254962757 SCGKYGXZADSFLD-FRRDWIJNSA-N 253.336 4.532 30 10 CJEE C=C([C@H](O)c1cc(Cl)c(OC)cc1Cl)C(C)(C)C 2255398166 RYTSUARZZQHUKJ-ZDUSSCGKSA-N 289.202 4.638 30 10 CJEE CC(C)=CCC[C@H](C)CCOC[C@@H](CS)C1CC1 2257444181 FVFFIQQDKZCTRB-HOCLYGCPSA-N 270.482 4.732 30 10 CJEE CN[C@@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2258564984 BAPMXGGTETWACC-AWEZNQCLSA-N 284.230 4.612 30 10 CJEE C=CCCCCCCCSCCCCCC(=O)O 2258986941 IZIRSFVBYZMNOQ-UHFFFAOYSA-N 272.454 4.891 30 10 CJEE C=CCCCSc1ccc([C@@H](C)NCC)cc1F 2259045008 JPOPGJCKQHZGQU-GFCCVEGCSA-N 267.413 4.555 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)C1CC(C)(C)C1 2260482696 NQVCIEMPLNIXCW-SFHVURJKSA-N 271.470 4.748 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)c1cc(Cl)cs1 2261367144 WBESCBFZVVSCKS-ZIAGYGMSSA-N 289.872 4.513 30 10 CJEE O=C(C=Cc1ccccc1)C[C@@H]1CCCCC12CC2 2264892880 YGMBLCABEKRXGP-INIZCTEOSA-N 254.373 4.629 30 10 CJEE CCC(CC)(CS)CN(C)CC1CC2(CCCC2)C1 2265197615 HPIPWNXWJPECSA-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE Cc1cc([C@H](C)Nc2cc(C)c(C#N)c(C)c2)cs1 2265856704 GUPISJBBNWPFIW-ZDUSSCGKSA-N 270.401 4.718 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)c1ccc(F)cc1Cl 2268740619 CESNGRVSMGVBCW-OAHLLOKOSA-N 280.770 4.508 30 10 CJEE CCCC[C@H](CC)[C@@H](CC=CC#CC(C)(C)C)NC 2268826107 SYZQGCVDNOBNHH-DLBZAZTESA-N 263.469 4.787 30 10 CJEE CC(C)=CCC[C@@H](C)CCOC1(C=O)CCCCC1 2269595660 MIXZZEIODMTWMD-MRXNPFEDSA-N 266.425 4.677 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1cccc(C(C)(C)C)c1 2270238649 IHDNPFAMJTUYLM-ZDUSSCGKSA-N 258.409 4.724 30 10 CJEE C=CCCCS[C@H]1CC2(CCCCCC2)CC[C@@H]1N 2271490425 GICPUTRMQKUXED-HOTGVXAUSA-N 281.509 4.906 30 10 CJEE C=CCCCCCCCSC[C@@H](NC)C1CC(C)C1 2271591111 PBTRAOBGSVNUEG-OFLPRAFFSA-N 283.525 4.880 30 10 CJEE C=CCCCCCC[C@H](NC)C1CC2(CC(F)C2)C1 2272237552 AKXYPZDLJAYFCB-PYCMUAIMSA-N 267.432 4.629 30 10 CJEE CCC[C@H]1CCC[C@@](O)(CC#CC2CCCC2)CC1 2274180117 GVCULEGUPOESME-FUHWJXTLSA-N 262.437 4.682 30 10 CJEE CCC[C@@H](CS)CN(C)[C@H]1CC(C)(C)CCC1(C)C 2274550754 RRYLOTNQEQYIGO-CABCVRRESA-N 285.541 4.869 30 10 CJEE C=C([C@@H](CCCCCCCC)OCCN)[Si](C)(C)C 2276531989 IBNNWTFSORRSBL-MRXNPFEDSA-N 285.548 4.515 30 10 CJEE CCCCCCC[C@H](C[C@@H](C)CC(C)C)OCCN 2276777507 DAMRWCSHOLKFBU-DLBZAZTESA-N 271.489 4.763 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1ncc(F)cc1C 2281088882 XGRYGDRLKLGCRL-MRXNPFEDSA-N 279.399 4.869 30 10 CJEE C=CCCCCCC[C@@](C)(N)c1ccc(OC)cc1C 2283342237 ZICOOAZXEHXZPT-GOSISDBHSA-N 275.436 4.704 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)[C@@H]1CC[C@H](CC)C1 2284110324 CNFWYGJBULQZLH-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C[C@@H](C(F)F)C(C)(C)C 2284157970 IAUCZTWVGUOLRZ-KBPBESRZSA-N 285.422 4.627 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCCC12CC2 2284182162 ZZCJXVQBHFXHSV-SJORKVTESA-N 273.464 4.541 30 10 CJEE C=CC1(COc2cc(C)c(Cl)cc2[C@@H](C)NC)CCC1 2286488330 OOIDZILBRBHUBW-CYBMUJFWSA-N 293.838 4.664 30 10 CJEE C=C(C)CCCNc1cccc(C(F)(F)C(F)(F)F)n1 2286753728 SQDFFOBQZHLNCF-UHFFFAOYSA-N 294.267 4.504 30 10 CJEE C=CCCCCCCCS[C@@H]1CCC[C@](C#N)(NC)C1 2287093549 FUGOOWRQMNVOLL-SJORKVTESA-N 294.508 4.671 30 10 CJEE C=C(C)CCCC[C@H](N)[C@]1(O)CCC[C@@H](CCC)CC1 2287383520 NQDHLUKFDHKWFV-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=C(C)CCCC[C@]1(CNCC(C)C)CCCOCC1 2287466935 KFRMAGHCHGVSRL-SFHVURJKSA-N 281.484 4.555 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C12CCC(CC1)CC2 2289690708 OZVKYRLPHUSWQN-XBMUEBEBSA-N 273.464 4.519 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CCC2(CC2)C1 2289790640 JYMPWPDKSWZVBW-ROUUACIJSA-N 273.464 4.519 30 10 CJEE FC1(F)CCCCCCC[C@H]1NCC#CC1CCCC1 2289850844 ZTSXKBFDDRVCLI-MRXNPFEDSA-N 283.406 4.518 30 10 CJEE C=CC[C@H](C)[C@](C)(CCCCCCCC)OCC(=O)O 2290721029 WLVJMXCPGJPPMR-RDJZCZTQSA-N 284.440 4.809 30 10 CJEE CCCCCCCCC[C@](C)(OCCC(=O)O)C(F)F 2291652743 LPHMRGPQBQTVKY-HNNXBMFYSA-N 294.382 4.642 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@@H]1CC(C)C 2291799881 STQWJKRWUJZFCW-WBVHZDCISA-N 284.440 4.643 30 10 CJEE CCCCCCCCCC[C@@](C)(OCCCN)C(F)F 2293504243 IYOZXYYMIACEAG-MRXNPFEDSA-N 293.442 4.906 30 10 CJEE C=C(C)CCC1(OCCCN)CC2(CCCCCC2)C1 2294067965 DZRZAXOZSVVYHS-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CC[C@@H](C)[C@H](OCCCN)C(C)(C)C1CCCCC1 2294535140 IJZAXTMGJNMODD-WBVHZDCISA-N 281.484 4.539 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCc1ccsc1C#N 2294719861 UYPZOCSAMDQQBV-UHFFFAOYSA-N 285.412 4.805 30 10 CJEE CC(C)C[C@H]1CCC[C@@](N)(C#Cc2ccccc2Cl)C1 2295226052 FKZIYHSZFQZTLA-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@]1(C)CNC[C@@H](C(C)(C)C)O1 2295675267 ZQKJAZHCLNKOKT-FUHWJXTLSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CCOC1(C)C 2295684501 MTHUYBDFNLOJLU-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC12CC(OC)C2 2295691018 HRRWOJCHLQVADE-ZLZJIPBDSA-N 281.484 4.673 30 10 CJEE CSc1ccc(C=C2CCC(=CC(C)C)C2=O)cc1 2297334301 JKYBLNBHSSPWMF-UHFFFAOYSA-N 272.413 4.737 30 10 CJEE O=C1CCCCC=C1c1c(Cl)cc(F)cc1Cl 2299037885 NPQBYBATEBLCTB-UHFFFAOYSA-N 273.134 4.659 30 10 CJEE C=C([C@@H](N)c1ccc(Cl)c(Cl)c1C)[Si](C)(C)C 2301269172 UKXVKHKLZNIYCD-CYBMUJFWSA-N 288.294 4.735 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2302843483 RUADCEURQYJOLP-SDBXPKJASA-N 290.621 4.874 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@]12C[C@H]1[C@H](C)C2 2308841531 YZSUJZQGGCIVCD-YYIAUSFCSA-N 251.458 4.761 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(C)s1 2313531372 ISRLNJKFFZHBIO-TZMCWYRMSA-N 283.506 4.795 30 10 CJEE C=CCSc1ccc(C)c(Cl)c1CNC(C)(C)C 2314003651 WCEXIWOWKRTQQG-UHFFFAOYSA-N 283.868 4.815 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@H]1C[C@H](SC)C1 2314301496 SNTUOUWJIMAWBH-JYJNAYRXSA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1cc(C)cc(Cl)c1 2316715880 SFATYEOVKCLFNP-INIZCTEOSA-N 264.796 4.624 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H](CC(C)C)C(C)C 2316745071 UQJACCMKPKFRQL-SJORKVTESA-N 251.458 4.661 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2317934904 WYUOIZSJCNTMGB-NSHDSACASA-N 287.856 4.807 30 10 CJEE CCCCCCCN(C)C[C@H]1CC[C@@H]1C(C)(C)C 2320201094 NLVQFKPYDGIIFC-CVEARBPZSA-N 253.474 4.961 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1cc(C)ccc1Cl 2321132501 ZGTUYQLFDMSFDI-OAHLLOKOSA-N 265.828 4.901 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@]1(C)CCCCC1(F)F 2321232995 NATCJFKEGIZKET-OCCSQVGLSA-N 260.368 4.555 30 10 CJEE CSc1ccc(COC[C@@H](CS)CC(C)C)cc1 2328528131 NVALLVWCPRLLNL-AWEZNQCLSA-N 284.490 4.517 30 10 CJEE Cc1ccc(F)c(C(=O)C#CC2CCCCC2)c1Cl 2335574306 IYVFOODOLFIPHJ-UHFFFAOYSA-N 278.754 4.554 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC1CC2(CCC(C)CC2)C1 2337111728 AHOSZCWYSCTIGI-ZZEXBNFBSA-N 261.453 4.680 30 10 CJEE CCCCCCC[C@@H](O)c1c(F)cc(OC)cc1Cl 2338709089 JTDOESCUNGTBEU-CQSZACIVSA-N 288.790 4.882 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CCCC(C)(C)C1 2338731090 XHXAIMKFZPPWIS-SJORKVTESA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C[C@H]2CCCC[C@@H]21 2338739043 RRENOHIJOQYEHG-XDNAFOTISA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](CC(C)(C)C1CC1)NCCC 2338740857 JAHJYRASEKBRCZ-KRWDZBQOSA-N 263.469 4.949 30 10 CJEE C=C1CC(CNCC)(C[C@H]2C[C@H]3CCC[C@H]2CC3)C1 2338995840 BMRCWOBRTOIONP-YESZJQIVSA-N 261.453 4.539 30 10 CJEE Cc1c(CN[C@@H](C)CC(C)(C)C#N)ccc(Cl)c1Cl 2339086556 IJDFVQLDUYPMJM-JTQLQIEISA-N 299.245 4.720 30 10 CJEE CCC[C@H](OCCCC(C)(C)C#N)c1ccccc1 2340467559 TWUKMABDRZUBSD-INIZCTEOSA-N 259.393 4.874 30 10 CJEE CC(C)[C@H](O)C(C)(C)C[C@@]1(C#N)CCCCC1(C)C 2340517542 CXRQUSPFEZCUTD-WMLDXEAASA-N 265.441 4.530 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C=O)CCCC12CCC2 2343333911 GBMRBZSWNQMQEH-HDMKZQKVSA-N 262.437 4.988 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC[C@@]12CCC[C@H]1C2)NCC 2344342556 KWYPSHLHFUUAIE-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)c(C)cc1OC 2344343950 QNBGGKZNUPFGEZ-HOTGVXAUSA-N 281.827 4.649 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C)CC2(CCC2)C1)NC 2344348778 NPHATLKPFRGPFC-WBVHZDCISA-N 263.469 4.927 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCC[C@@]2(C)CCC[C@H]12 2352177266 VXXJDDRGPNRRAU-USXIJHARSA-N 283.525 4.623 30 10 CJEE C=CC[C@H](NCCC)C1CCC(CC(F)(F)F)CC1 2353607096 UFASTCHQXLKXJK-RUXDESIVSA-N 277.374 4.690 30 10 CJEE N#Cc1cccc(-c2csc([C@H]3CCC[C@@H]4C[C@H]34)n2)c1 2354343953 MFATXGVIMIVJKJ-SNPRPXQTSA-N 280.396 4.585 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CC[C@H](C[C@H]1N)C2 2354521366 HBYIYUGFJYVOBC-NUJGCVRESA-N 279.468 4.604 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)[C@@H]1C[C@H]1CCC 2357697879 KDWWPURABYZPOR-QRVBRYPASA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1C[C@@H]2C[C@H](OC)C[C@H]12 2358947780 GTWYNWJJULEQAI-ATIWLJMLSA-N 281.484 4.529 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)OCCCN 2360057500 YJDZPTRPKNMPAH-BRSBDYLESA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H](C)CC1CC1 2360322593 FSILZYCXLPBJKH-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccc(CC#N)cc1 37071295 IEKLSLLCBAUYGZ-FHLIZLRMSA-N 270.420 4.625 30 10 CJEE CC[C@H](N[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 52335977 KRMSAPNMDCXTMZ-KSSFIOAISA-N 270.420 4.568 30 10 CJEE CCC1(CC)CS/C(=N\c2cccc(C(C)C)c2)N1 53046379 USTHRYYELVKHSA-UHFFFAOYSA-N 276.449 4.693 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2c(c1)OCO2 59090002 NWZILJVQFOBLJF-ZDUSSCGKSA-N 263.381 4.576 30 10 CJEE CCCCCCCCCCOc1ccc(CCO)cc1 59354652 WYAPHAZWPBNRNZ-UHFFFAOYSA-N 278.436 4.741 30 10 CJEE CCCCCCCCCNc1ccc(N(C)C)cc1 59379310 ZGGXHRBFCKZNCE-UHFFFAOYSA-N 262.441 4.915 30 10 CJEE Cc1ccc(/N=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 59465275 KUPVKEVHGSHFSN-WOJGMQOQSA-N 282.343 4.777 30 10 CJEE Cc1ccsc1[C@H](C)Nc1ccc(Cl)c(C#N)c1 70090642 VONLBOAMZSWINA-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CC1(C)CCC(Nc2cccc(OCCCC#N)c2)CC1 79627196 YCFSSBKDYRXMCC-UHFFFAOYSA-N 286.419 4.750 30 10 CJEE Cc1ccc(C[C@@H](C)Nc2ccc(C#N)c(Cl)c2)s1 80245236 KQDWHZRKEYYZEV-SNVBAGLBSA-N 290.819 4.625 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(C(C)(C)C)cc2)C1 87322370 DUTVRXHWRKMYRD-UHFFFAOYSA-N 256.389 4.757 30 10 CJEE CC[C@H](CS)CN(Cc1ccccc1)Cc1ccccc1 94578938 NCSCPUHACKMSOE-KRWDZBQOSA-N 299.483 4.645 30 10 CJEE C=CCCC[C@H](NCC)c1cccc(C(F)(F)F)c1F 94601308 KONNDBUEYARTED-ZDUSSCGKSA-N 289.316 4.851 30 10 CJEE N#C[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1Sc1ccncc1 94614287 IFTPHLOOJBWUMA-SOLBZPMBSA-N 294.423 4.650 30 10 CJEE CCCCCCCCO[C@H]1CCCC[C@H]1NCCC 110070206 GVQLTJGIZWSUNO-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1CNC(C)(C)C 110326072 UTXUOJHCKMFDJS-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCCCCN1C[C@@H](CC)NC[C@@H]1C 114061368 UTBFJIKNBHXLMA-RBUKOAKNSA-N 296.543 4.980 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccccc1OC 115858076 YQIMDUPOZIZYBR-INIZCTEOSA-N 287.403 4.622 30 10 CJEE CCCCCCCCOc1cc(F)c(Cl)cc1N 116720017 WBUHTCXIEFQIAJ-UHFFFAOYSA-N 273.779 4.801 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@](C)(CC)N(C)C 118152996 KYAXRHLBQZXEHD-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCC[C@@H](N)C1(N(C)C)CCCC1 118173519 RKHBMYNXLCMFBG-QGZVFWFLSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)c(OC)cc1C 122470649 LYYKKYCXPWQLNG-INIZCTEOSA-N 263.425 4.672 30 10 CJEE CCCCCCC[C@H](O)c1cc(C)c(OC)cc1C 124827672 BXCPXPIPLXQCLA-INIZCTEOSA-N 264.409 4.706 30 10 CJEE CCCCCCCCCCCC[C@H](C[C@H]1CCCO1)NN 125523728 YOWHOLRQBPHCGU-QZTJIDSGSA-N 298.515 4.698 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1Cc2ccccc21 126590313 WCVNILWWZDXWBL-MOPGFXCFSA-N 288.479 4.689 30 10 CJEE CCCCCCCCCCCCC(=O)c1ncc[nH]1 126779812 WUDXAZVZIGFHQO-UHFFFAOYSA-N 264.413 4.903 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 128039927 POKKNQPXPPCDCY-VHSXEESVSA-N 258.192 4.609 30 10 CJEE CCCCCCC[C@H]1C[C@H](CC)CC[C@@H]1C(=O)O 131226033 DQLCHBVMAOCPKU-ILXRZTDVSA-N 254.414 4.874 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCC(C)(C)C[C@@H]2C)C1 132210612 NUKQBBGSNGXCPC-MVJTYMMSSA-N 277.452 4.674 30 10 CJEE C#CCCC[C@@H](CSc1cccc(Cl)c1)NCCC 134080747 WLUNZWCVIOLIMD-HNNXBMFYSA-N 295.879 4.604 30 10 CJEE CCCCCCCCC[C@H](N)c1ccncc1Cl 139449692 GDYZUQWDWGTRTJ-HNNXBMFYSA-N 268.832 4.876 30 10 CJEE COc1ccc(C#N)c(Oc2cccc(Cl)c2Cl)c1 150087007 VPHYPTKEVYUFDD-UHFFFAOYSA-N 294.137 4.666 30 10 CJEE CCCCCCCCc1nc2cc(F)cc(F)c2[nH]1 163986552 IILNOWMKSKZDBJ-UHFFFAOYSA-N 266.335 4.744 30 10 CJEE C[C@H]1CC[C@@H](Oc2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C 164507639 DUHYRPFABLXLES-GMXVVIOVSA-N 297.320 4.781 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(C(F)(F)F)cc1 167671420 HROBRYBYBFSFOV-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CCCCCCCOc1c(C=O)cc(Cl)cc1OC 169217789 APQGVDCNPSNTRN-UHFFFAOYSA-N 284.783 4.510 30 10 CJEE C#CCOc1ccc([C@@H](C)N[C@@H](CC)c2cccs2)cc1 178709074 JRLBPRSPIQWUMT-PBHICJAKSA-N 299.439 4.562 30 10 CJEE CCCCCCC[C@@H](C)N1C[C@@H](CCN)c2ccccc21 216216238 OQBLSCYPCLXZSM-IAGOWNOFSA-N 288.479 4.688 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217579639 UJELOWRBRQDVSB-QANKJYHBSA-N 286.394 4.633 30 10 CJEE CC1(C)CC(=O)C=C(Cc2cccc(Cl)c2Cl)C1 228927732 AFYUMPLXAYQIKJ-UHFFFAOYSA-N 283.198 4.851 30 10 CJEE C=C(CC)C[C@H](NC)c1cc2ccc(F)cc2s1 229758769 PQFCRCGFPYDRJH-ZDUSSCGKSA-N 263.381 4.657 30 10 CJEE C=CCCCCCC(=O)[C@@H]1CCCc2sccc21 232563388 HABNXBNYBLVEPW-CYBMUJFWSA-N 262.418 4.874 30 10 CJEE CCCCCCCCC[C@@H](NC1CCCCC1)C(=O)O 232929646 NEULREQQMPKUPP-MRXNPFEDSA-N 283.456 4.503 30 10 CJEE CCCCCCCC(=O)[C@H](C)C(=O)c1ccc(F)cc1 232934815 YTWJXEAQHISSLX-ZDUSSCGKSA-N 278.367 4.574 30 10 CJEE C[C@H]1CCC[C@@H](CCNCCCCC(C)(C)C#N)C1 235576899 KXDCJRONJGETMR-HOTGVXAUSA-N 264.457 4.512 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(Br)c1 236303191 AENBVGAQFKMWCV-AWEZNQCLSA-N 282.225 4.585 30 10 CJEE C=CCCCCC[C@H](O)Cc1cccc(Cl)c1F 236535505 UCGFKFZTKJYBNH-ZDUSSCGKSA-N 270.775 4.519 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@H](C=C)/C=C/c1ccccc1 238127305 BPELXKISWLRPPM-TUQDCPSNSA-N 299.414 4.678 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCN2CCC[C@H]2C1 250838533 WLOWVTDHTOIXCG-ZWKOTPCHSA-N 281.484 4.507 30 10 CJEE CCCC[C@@H](CC)COc1cccc2c1CCCC2=NO 252677233 XBNVISWEUOTAER-CQSZACIVSA-N 289.419 4.796 30 10 CJEE N#CC[C@@H](c1c(Cl)ccc(Cl)c1F)C1CC1 260908711 XNZPTWKKJFTSDK-MRVPVSSYSA-N 258.123 4.540 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(C)cc1 307929720 SQYHUXBJQBQUKI-QGZVFWFLSA-N 268.335 4.569 30 10 CJEE CCCCCCCCCc1ncn(Cc2ccccc2)c1N 309767091 JOEOMLDUXMDOSE-UHFFFAOYSA-N 299.462 4.807 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1CCC(F)(F)C1 310411423 KZSSJSUCLNZFNF-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE C[C@@H]1CCC[C@H](COC[C@H](CS)c2ccccc2)C1 311435511 RUIBDQIASIJFFN-HLLBOEOZSA-N 278.461 4.543 30 10 CJEE Cc1cccc(N[C@@](C#N)(CCC(C)C)C2CC2)c1 311481757 UEXFPDRVYJGAJD-QGZVFWFLSA-N 256.393 4.516 30 10 CJEE CCCCCCCC[C@H](O)c1c[nH]c2ccccc12 311571081 FTSXEDQWHIZQSA-KRWDZBQOSA-N 259.393 4.952 30 10 CJEE CCCCCCCCOc1ccc(F)cc1C(C)=NO 312144761 QSXBPOOIDPZAPH-UHFFFAOYSA-N 281.371 4.763 30 10 CJEE CCCC[C@@H](CC)C[C@]1(C=O)CCOc2ccccc21 316657041 RVLBWMKMTYKEQR-QAPCUYQASA-N 274.404 4.512 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(C)nc(Cl)c2)C1 321302751 MCWYZSVLWJMEBQ-CZUORRHYSA-N 276.811 4.696 30 10 CJEE CN[C@H](CC#CC(C)(C)C)C1CCC(C(C)(C)C)CC1 383422423 CVNPJJVXUCKCHW-OFLPRAFFSA-N 277.496 4.867 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(F)cc1Cl 386539283 QWYBUQMVZCCHDJ-LLVKDONJSA-N 269.791 4.732 30 10 CJEE C=C(COCC)[C@H](N)CCCCCCCCCCC 387661939 NKSIAOGPJQJABS-QGZVFWFLSA-N 269.473 4.827 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(F)c(-c2cccs2)c1 393759882 ZLFFWEAEDBFWKE-CQSZACIVSA-N 289.419 4.999 30 10 CJEE CC#CCCCC(=O)N(Cc1ccccc1)C1CCCCC1 464440612 KLNCJRRFMVOVIH-UHFFFAOYSA-N 297.442 4.542 30 10 CJEE N#CCc1ccc(-c2ccc(Cl)cc2Cl)cc1F 514263327 LTWFSWFOTJTCDE-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCCCN(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 606202666 ICJDZROJVZIXRY-MRXNPFEDSA-N 287.447 4.728 30 10 CJEE C[C@@H]1CC[C@](C=O)(CC2(c3ccccc3)CCCC2)C1 686745106 PUIVSGCWFAWGNO-SJLPKXTDSA-N 270.416 4.894 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(COC2CCCCC2)C1 687987658 OYVZABZZKNTPKT-UHFFFAOYSA-N 280.452 4.757 30 10 CJEE CCCCCCC[C@@H](C[C@@]1(C)CC1(F)F)NCC 689121983 DCJFFZPYWANLNI-KBPBESRZSA-N 261.400 4.760 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCOC1(C)C 693117878 WJKCQICDSJVCAQ-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CSc1cccc(NCC2CCC(F)(F)CC2)c1C#N 693333637 JMEVGFFPUDAZFR-UHFFFAOYSA-N 296.386 4.518 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@@H]1CCCN1 695432511 FQUWUFOQQZPTRI-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE CCC(C)(C)[C@H](C)n1c(=S)[nH]c2c(C#N)cccc21 695572676 QEFZRGSMLKRVRN-JTQLQIEISA-N 273.405 4.568 30 10 CJEE CCCCCCCC[C@H](O)c1cccc2c1CCCN2 696190249 QUBZJIPXGWYKHJ-SFHVURJKSA-N 275.436 4.829 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cnc(Cl)n1C 696427476 ICPCOBIYECRWHZ-AWEZNQCLSA-N 299.890 4.865 30 10 CJEE C=CC(C)(C)CCN[C@@H](c1ccc(Cl)cc1)C1CC1 701883091 JEZUEPNHDXYFOD-MRXNPFEDSA-N 277.839 4.983 30 10 CJEE Cc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C#N)c1 703772336 SZGOYGBORSWEMO-YXJHDRRASA-N 270.420 4.739 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(C(F)(F)F)nc1 704224925 YRCIUECJJGHIJM-ZDUSSCGKSA-N 289.341 4.884 30 10 CJEE CCCCCCCCCCCC[C@]1(N)C[C@H](C)N(C)C1 705093988 CZZHKCZOLHZNIU-ROUUACIJSA-N 282.516 4.719 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1c(F)cccc1Cl 706434098 LSXAXVHEXVXVCB-NSHDSACASA-N 269.791 4.732 30 10 CJEE CCSc1cccc(N(CC)[C@H](C)C(C)C)c1C#N 706506507 GBEFZYYXSPOPKS-CYBMUJFWSA-N 276.449 4.541 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@H]1CCSC1 708747523 XRUQMMASZAXXER-HUUCEWRRSA-N 258.471 4.631 30 10 CJEE C/C=C(/CC)C(=O)c1cc(C(F)(F)F)ccc1C 713222999 RJJUHMSKDTZNDT-WMZJFQQLSA-N 256.267 4.553 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C1CCC(C)(C)CC1 715768010 HFQIDUSWBGLUNZ-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc2ccccc2o1 715812391 KQUKVRSEDKJJSC-GUYCJALGSA-N 257.377 4.686 30 10 CJEE C=CCCCCC[C@H](C[C@H]1CC(C)(C)CO1)NCCC 717002356 KMSKSHDHPFRIJP-SJORKVTESA-N 281.484 4.696 30 10 CJEE C[C@@H](OCc1ccc(C#N)cc1Cl)C1CCCCC1 719671937 NBBLFIYOGLANKL-GFCCVEGCSA-N 277.795 4.697 30 10 CJEE CCCCCCCCCC1(CN)C[C@H](C)O[C@@H](C)C1 724301190 YBPKMBWRKRZCEC-HOTGVXAUSA-N 269.473 4.660 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CCC[C@@H]3C[C@H]32)CC1 724591934 GCXXCWXCZHFFOF-MKXGPGLRSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@H](NC)c2sccc2Cl)CC1 724605579 NJHHVASDDQSRDT-ZDUSSCGKSA-N 269.841 4.799 30 10 CJEE C=C1CCC(CC2(CNCC(C)C)CCCC2)CC1 724617803 ROPGCGXLBCJBPI-UHFFFAOYSA-N 263.469 4.929 30 10 CJEE N#Cc1cc2sccc2c(C(F)(F)F)c1C(F)(F)F 725324537 MWOLNZXBYMUQAX-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE CCCOc1ccc(C#Cc2cccc(Cl)c2)cc1 725394599 XZJOPMSFWGEFIT-UHFFFAOYSA-N 270.759 4.529 30 10 CJEE C=CCCCCCCNC(=O)/C=C\C1CCCCCC1 1128848892 QBMSYNCMHZJBBV-PFONDFGASA-N 277.452 4.766 30 10 CJEE C=C[C@H](OC(=O)c1cccc(OCCC)c1)c1ccccc1 1131131596 MYQPYWQWGPVSHR-SFHVURJKSA-N 296.366 4.560 30 10 CJEE C#CCC1(NC(=O)C[C@@H](C)CCC=C(C)C)CCCCC1 1134071266 NYIMAYHHVCBAMZ-KRWDZBQOSA-N 289.463 4.601 30 10 CJEE C#CCCOc1ccc(CN[C@H](CC)C2CCCCC2)cc1 1177586955 PXTXVQDSHKIECJ-HXUWFJFHSA-N 299.458 4.537 30 10 CJEE C=CCCc1ccccc1NC1CCC(C)(C#N)CC1 1181162109 AICQYPYPWVLSIG-UHFFFAOYSA-N 268.404 4.690 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCC[C@@H](C)CC(C)(C)C)C1 1202018806 UJJXJIFKADFMMS-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=CCCN(Cc1ccccc1)Cc1ccsc1C 1237969492 AFWYKGDICIORPT-UHFFFAOYSA-N 271.429 4.635 30 10 CJEE C=CCC1(C(=O)OCc2cccc(CC)c2)CCCCC1 1277337347 NGBIBWITSGCEGK-UHFFFAOYSA-N 286.415 4.819 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)Cc1coc2ccccc12 1308875275 BKHTUVRAQWOEHY-AWEZNQCLSA-N 271.404 4.556 30 10 CJEE C=CCCC[C@H](C(=O)N(C)C1CCCCC1)c1ccccc1 1349814224 SGZKQYQUTIEJAO-IBGZPJMESA-N 299.458 4.918 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 1357158032 WBCQWLDSYZJGTF-GOSISDBHSA-N 297.442 4.684 30 10 CJEE C#CCCCCCCN(CC1CC1)c1ccc(C)cc1 1460773485 AEGQGGYKRUCQMF-UHFFFAOYSA-N 269.432 4.795 30 10 CJEE C=C(CC)CN1CCC[C@@H]1c1cccc2ccccc12 1473119068 COMTZHAHZBQCQI-LJQANCHMSA-N 265.400 4.943 30 10 CJEE C=C(C)CNC(CC)(CC)c1ccc(Cl)cc1 1473224945 UILHDBZRBZXAPB-UHFFFAOYSA-N 251.801 4.521 30 10 CJEE CC(C)CN(C[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 1473247285 DOVMMJPTLYFCEL-AEFFLSMTSA-N 284.447 4.847 30 10 CJEE C=CCCCCCCCCN[C@H]1CCC[C@H](C#N)C1 1474555984 FUBAARHBCYRPDF-IRXDYDNUSA-N 262.441 4.575 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)Cc1ccc(C)cc1 1474660339 JKYPWMYNPOXBLJ-GOSISDBHSA-N 273.464 4.898 30 10 CJEE C=CC1(CC(=O)OCc2sccc2Cl)CCCCC1 1519736551 YAXKKFMWFNCRGW-UHFFFAOYSA-N 298.835 4.971 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 1524652811 RMQYFNJTDRHFPM-IBGZPJMESA-N 294.398 4.598 30 10 CJEE C=CCSc1ccccc1C(=O)N[C@@H](C)CC(C)(C)C 1524771024 WIIHCXUYENCLAJ-ZDUSSCGKSA-N 291.460 4.519 30 10 CJEE C=CCCCCCN[C@@H](c1ccc(C)o1)C(F)(F)F 1559949952 RHKBNJQMOCUECQ-ZDUSSCGKSA-N 275.314 4.527 30 10 CJEE C=CCCCCCCCNCc1c(O)cc(C)cc1Cl 1560493393 ANRSMVZCWZSMBJ-UHFFFAOYSA-N 295.854 4.970 30 10 CJEE C=C[C@H]1CCCCN1C(=O)CCCCCCCCC 1586391701 GDOVZMHEZHMOAS-INIZCTEOSA-N 265.441 4.694 30 10 CJEE 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CJEE C=CC[C@H]1N(Cc2cccc(C)c2F)CCCC1(C)C 1659033236 UFBPHGJTHDIIIW-MRXNPFEDSA-N 275.411 4.701 30 10 CJEE C=C(C)CN(C/C=C\c1ccc(F)cc1)Cc1ccccc1 1659082096 YOUZEPFOYTVIKJ-TWGQIWQCSA-N 295.401 4.917 30 10 CJEE C=CCC[C@@H](CC)N[C@H]1CCc2ccc(Cl)cc21 1660404372 YOKWCCFWPAUYOJ-ZBFHGGJFSA-N 263.812 4.662 30 10 CJEE C=C(CC)CNC(=O)N(c1ccccc1)c1ccccc1 1663857250 HDMUWBUBUMHSNJ-UHFFFAOYSA-N 280.371 4.501 30 10 CJEE C#CCN(Cc1ccc(-c2ccccc2)c(Cl)c1)C1CC1 1664772381 XLQZHJPOCOLMOG-UHFFFAOYSA-N 295.813 4.605 30 10 CJEE C[C@H]1C[C@](C#N)(CC2(C(C)(C)C)CCC2)C[C@@H](C)O1 1876744212 YAXMTIBDAWDDGF-FOLVSLTJSA-N 263.425 4.690 30 10 CJEE CCC[C@H]1CC[C@H](C[C@]2(C=O)C[C@H]3CC[C@H]2C3)CC1 1878251829 KLFRFDDKOJDIIB-KFGODFMUSA-N 262.437 4.988 30 10 CJEE C=CCCCCC[C@@H](O)[C@H](c1ccccc1)C(C)C 1886360220 LGXCSQCISJLFPH-MSOLQXFVSA-N 260.421 4.924 30 10 CJEE C#CC[C@@H](CN[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1 1887364873 CWUGQBMYTKDWMJ-AAEUAGOBSA-N 296.241 4.694 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)c1ccc(C)s1)C1CC1 1887477420 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C=CCC(CC=C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNC 2338665963 LVKQHKQPCVZNJP-KSZLIROESA-N 263.469 4.663 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(C(F)(F)F)cs1 2338692515 DCMNYVJTQSVJRO-CYBMUJFWSA-N 289.366 4.796 30 10 CJEE C=CCC(CC=C)N1CCC(C2CCCCC2)CC1 2338727947 PAEOKBLXIOPHGL-UHFFFAOYSA-N 261.453 4.800 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc2ccccc2c1F 2341928985 MFBJXQSVGZZJHV-INIZCTEOSA-N 257.352 4.596 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21 2344335695 BRCACTPGMVQBKD-ILOCAZANSA-N 263.469 4.783 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C(F)F)c1F 2344341892 FWLJERTZJIBLAY-QMTHXVAHSA-N 271.326 4.626 30 10 CJEE C=CC[C@H](C)[C@@H](Cc1cccc(F)c1Cl)NCCC 2344343675 FICFMGYUGOYOCI-SWLSCSKDSA-N 283.818 4.602 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H](CC)CC(F)(F)F)NC 2344354537 ADALANFHRLUBCJ-MJBXVCDLSA-N 279.390 4.936 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(F)ccc(F)c1Cl 2344373821 CYJHPIAVMKBPOW-CABCVRRESA-N 287.781 4.871 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2344458562 AECNNIDPBAFTQU-QBPKDAKJSA-N 264.453 4.946 30 10 CJEE Cc1c(Cl)ccc([C@H](C)N[C@@H](CC#N)C(C)C)c1Cl 2353025832 VJCBGHPNHWAWLN-FZMZJTMJSA-N 299.245 4.891 30 10 CJEE CSc1cc(N[C@H]2C[C@H](C(C)(C)C)C2)ccc1C#N 2353828922 ZRGXMGNIYGXXOK-MQMHXKEQSA-N 274.433 4.517 30 10 CJEE Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1 36805609 NLEVNQCHSZMRKR-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE in-vivo C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 36973602 POTYCKIORNHJPI-CMPLNLGQSA-N 282.309 4.568 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl 37253371 BETNFRSONBTPDL-UMVBOHGHSA-N 288.822 4.982 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 37306389 QNXUUHKRHDMVPI-YGRLFVJLSA-N 282.309 4.568 30 10 CJEE Cc1ccc(C(C)(C)C)cc1-c1ncc(C#N)cc1C 49856017 QGBSJJYSEYEKKN-UHFFFAOYSA-N 264.372 4.535 30 10 CJEE CC[C@H](CC#N)N[C@H](CC)c1ccc(Cl)c(Cl)c1 54183606 WOJWJONDMWTMNR-BXUZGUMPSA-N 285.218 4.726 30 10 CJEE CCc1cccc(OCC[C@H](C#N)c2cc(C)ccc2C)c1 57695423 ZSKMPANWKMNEBV-GOSISDBHSA-N 293.410 4.942 30 10 CJEE CCCCCCCN[C@H](C)c1ccccc1OC(F)F 59460369 NLMQNEHFECRAEW-CYBMUJFWSA-N 285.378 4.909 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](Cn1ccnc1)C(C)(C)C 59487440 VEHDKLJACNQZSH-IAGOWNOFSA-N 293.499 4.636 30 10 CJEE C[C@H](c1ccccc1F)N(C)c1cccc(Cl)c1C#N 62016696 HTYBEEJMPKRHCN-LLVKDONJSA-N 288.753 4.548 30 10 CJEE CCCc1oc(-c2ccc(Cl)cc2)cc1CC#N 77080957 PUKYFQIDEGETNL-UHFFFAOYSA-N 259.736 4.619 30 10 CJEE N#CC1(c2c(F)cccc2Cl)CC(c2ccccc2)C1 86559184 GRUZQCCKEOFMFT-UHFFFAOYSA-N 285.749 4.818 30 10 CJEE N#C[C@@]1(CCSc2ccccc2)CCc2ccccc21 92273634 BXVJCDAMJLOYPN-SFHVURJKSA-N 279.408 4.577 30 10 CJEE C=CCCC[C@@H](CSc1ccc(F)cc1)NCCC 97330776 QFOWZEUAEUBAKD-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE CC(C)N(CCCCCCCCCS)CC(F)(F)F 97799303 FZGZOKLGRGMDGG-UHFFFAOYSA-N 299.446 4.920 30 10 CJEE CCOc1ccc(N/C=C\C(=O)c2cc(C)ccc2C)cc1 103030926 ZAXHFNFOHSWNKJ-QXMHVHEDSA-N 295.382 4.511 30 10 CJEE CCCCCCC[C@H](N)c1nccc2ccccc12 113828736 WBEARRFEHQSICK-INIZCTEOSA-N 256.393 4.595 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2CC[C@@H]1C2 114640867 NCFRWASKEFUMCR-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE CCCCCCCSc1cccc([C@@H](C)N)c1 114924952 MDOGPJAPWBUTQT-CYBMUJFWSA-N 251.439 4.769 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@](C)(CC)N(C)C 118154308 NJSDIODTNXXNEG-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CCCCCCCCCCOc1c(N)cccc1F 124107218 ACNDDPWDJSKQNB-UHFFFAOYSA-N 267.388 4.927 30 10 CJEE CCCCCCCCC(=O)c1ccc(Br)cn1 139998619 ZAIWMXMIUBUEFR-UHFFFAOYSA-N 298.224 4.777 30 10 CJEE C[C@@H](N[C@H](C)C1CCCCCC1)c1ccc(C#N)cc1 150039649 DAKXZWMYZLYUNW-HUUCEWRRSA-N 270.420 4.568 30 10 CJEE CCCCCCCCN[C@@H](C)CCc1ccc(OC)cc1 159148550 XTRVSZFZHIKIST-KRWDZBQOSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCCNC(=O)N1CCC[C@@H](C)C1 160690608 PROJZRQZAKEGDV-MRXNPFEDSA-N 282.472 4.569 30 10 CJEE Cc1cc(C#N)ccc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 165549859 GHLADBZHEBAGFQ-DYVFJYSZSA-N 271.404 4.598 30 10 CJEE CCCCCCCCOc1ccc(C=O)c(Cl)c1 166442662 HGHMCWPCZSPRHX-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H](OCC)C1CCCCC1 167720781 WTTKYJFEAIZRGW-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCCCC(=O)CNCC1CC1 167757438 HGYWOBHYHMRVFP-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE CC#CCC[C@H](NCCC)C(CC)(CC)c1ccccc1 168136554 NDASECXWSLCBJS-IBGZPJMESA-N 285.475 4.916 30 10 CJEE N#CCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 217072150 KILGHQOLCNRXBE-UHFFFAOYSA-N 265.400 4.611 30 10 CJEE N#Cc1cccc(Nc2ccc3sccc3c2)c1 227620735 FMHFGJIITFUSMY-UHFFFAOYSA-N 250.326 4.517 30 10 CJEE CCCCCCC[C@H](NC)[C@]1(OC)CCC[C@@H](C)C1 227739053 DKSVWJMTXZNBHX-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CNC1CC1 229128784 UNXRZNMWJYBXMJ-QGZVFWFLSA-N 282.516 4.637 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCOC2(CCC2)C1 229833094 DYDUTAWUKWZGQG-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CC[C@H](CS)COc1ccc([C@@H](C)CC)cc1 232360761 ZXUCECQEFMZWHY-STQMWFEESA-N 252.423 4.535 30 10 CJEE CCC(=CC(=O)c1cccc(C(F)(F)F)c1)CC 232880771 TUCJGWDGJXYVOR-UHFFFAOYSA-N 256.267 4.635 30 10 CJEE Cc1ccc([C@H](C)Nc2cccc(C)c2C#N)c(C)c1 235537866 INUBDCCEUOLCRR-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C=CCCCCC[C@@H](NN)c1cc2ccc(F)cc2s1 236225360 SLJAFNUUDAVMDG-CQSZACIVSA-N 292.423 4.681 30 10 CJEE C=CCCCCC[C@H](N)c1cc(C(F)(F)F)ccc1F 236302557 BAKNYCFUHKVBNK-AWEZNQCLSA-N 289.316 4.981 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@@H](C)[C@H]1C 250821622 LMSJXHILTBDWAP-OTWHNJEPSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1C[C@@H](CC)NC[C@H]1CC(C)C 250830006 QHGYBPFPTBRBFT-RTBURBONSA-N 296.543 4.836 30 10 CJEE CCCCN(CCCC)[C@@H]1C[C@@H](CC)CC[C@H]1C#N 252432753 AIGDDMOTACVGRT-YESZJQIVSA-N 264.457 4.607 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](CCC)CC[C@H]1CN 300256491 HBEISBYQCOBQDB-ZACQAIPSSA-N 251.458 4.914 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 300672317 ZFTGHOWTOWKWQU-KHHDSSOXSA-N 263.469 4.617 30 10 CJEE CC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@@H](CC#N)O1 307894610 HUOYTQGIGZNZBT-FZMZJTMJSA-N 284.186 4.691 30 10 CJEE C[C@@]1(c2cc(Cl)sc2Cl)CCC[C@H](CC#N)O1 310093297 KIGUYNUWFQEGAI-PELKAZGASA-N 290.215 4.753 30 10 CJEE CCCCCCCCCCNC1[C@H]2CCCC[C@H]12 311047374 GBFLXXMAHIIZIH-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CC[C@@H]1CC[C@](C=O)(Cc2c(C)cc(C)cc2C)C1 316660920 BCLIQSVJDCYLAI-SJLPKXTDSA-N 258.405 4.550 30 10 CJEE CC1CCC(C[C@]2(C=O)CCCc3ccccc32)CC1 316890841 BGTAESUYLQGJPB-RJYAGPCLSA-N 270.416 4.676 30 10 CJEE CCCC1(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)CCCC1 382353605 RAVIQYWXJMVQSR-YOEHRIQHSA-N 294.508 4.741 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)CC1=CCCCC1 388636186 AMCPWILSSKLSBS-KRWDZBQOSA-N 261.453 4.685 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@H](C(C)(C)C)CCS1 391287483 NQIPOZYYTHYHRH-ZDUSSCGKSA-N 284.513 4.700 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@H](C#N)C(C)(C)C 397496951 QZMNIHIITJQPSX-INIZCTEOSA-N 266.473 4.566 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCc2ccccc2C1)C1CCC1 398701096 JWZTXGWZBQKGCS-KSSFIOAISA-N 253.389 4.512 30 10 CJEE CC[C@H](COc1c(C)cc(C#N)cc1C)CC(F)(F)F 402289857 KUZBUQPQHUGCQG-LBPRGKRZSA-N 285.309 4.533 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H](C)CC(C)C 686690650 FBWGXRBZQKAVNO-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C#CCCCCCC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 686708494 GUCXRUOEKFVCPX-STQMWFEESA-N 274.326 4.508 30 10 CJEE C=CC[C@H](CNC(C)(C)C)CC(C)(C)CC(F)(F)F 694045796 ZMIJILXRVUSKRJ-LBPRGKRZSA-N 279.390 4.936 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCC[C@@H](C)CC3)C[C@@H](C1)C2 697305472 XUCONNUXIHXBGT-SRKZOOFXSA-N 261.453 4.680 30 10 CJEE CCCCCCC[C@@H](O)c1cc(Cl)cc(OC)c1 698764952 WWXDYENRXXIAIL-OAHLLOKOSA-N 270.800 4.743 30 10 CJEE CCCCCCC/N=C1/NC2(CCC(C)CC2)CS1 703734724 OCHWMXKZLMEULK-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCCC(F)(F)F 703996227 QTVYHOLQBYUSFP-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE CCC(CC)[C@H](C)/N=C1/NC2(CCCCCC2)CS1 713180063 IZQOLVLBKBXHFR-ZDUSSCGKSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](C)[C@@H](CCC1CCCCC1)NCCC 715756538 JPHVZHUEHOLWJN-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C)c(Br)c1 717916625 PAFGMAONHNBFPL-UHFFFAOYSA-N 296.252 4.592 30 10 CJEE CCCCCCCCC[C@]1(CNC(C)C)C[C@@H](C)CO1 718380668 CZAFAVJQDSJBOQ-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCCCNCCc1cnoc1 718830973 ILEYBPFAQNNTRN-UHFFFAOYSA-N 280.456 4.728 30 10 CJEE C=CCN(CCC)c1cccc(Cl)c1CNC(C)(C)C 723186413 AEKZOQRMJVQBNE-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(CSc2cc(N)ccc2Cl)CC1 724554947 AHFKUNONFRWPBJ-UHFFFAOYSA-N 267.825 4.761 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@@H](C)CCCC)CC1 724616838 NUBUFBOPYYNZLT-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CCO)C1CCCCC1 725117842 KUJQIMNDNYMNOK-FUHWJXTLSA-N 283.500 4.656 30 10 CJEE CC(=NNc1ccc(C)cn1)c1cccc(Cl)c1Cl 734980638 VHGRKNOFTBQVBA-UHFFFAOYSA-N 294.185 4.533 30 10 CJEE C#CC1(NCc2ccc3oc4ccccc4c3c2)CCCC1 1203470154 BVGSWNBTCAPXQC-UHFFFAOYSA-N 289.378 4.622 30 10 CJEE C=CCC[C@H](C)NC[C@@H]1CCCC[C@@H]1c1ccccc1 1205832608 RXBRHOSFKBZQIU-YTQUADARSA-N 271.448 4.905 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(SCC)c2)C1 1206596914 AJEMHVLRKMASBB-HNNXBMFYSA-N 275.461 4.587 30 10 CJEE C=CCCCCCCCNC(=O)N(C)[C@H]1CCC[C@@H](C)C1 1229653198 OBBWLRNXVMTXAV-SJORKVTESA-N 294.483 4.733 30 10 CJEE N#CCc1ccncc1-c1cc(Cl)c(Cl)c(Cl)c1 1235914571 SFKMNPRWINZCMB-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCCCCN(C)C(=O)NCC1(C)CCCCCC1 1312420832 WQKMABUUNOYARO-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=C1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 1349018274 GNTOIVBNQYFJGQ-UHFFFAOYSA-N 265.356 4.525 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 1435177028 YPBAUMVMPIHMGT-LBPRGKRZSA-N 297.851 4.715 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc2ccncc2s1 1461635148 WDDFGZLETJVKTL-CJNGLKHVSA-N 286.444 4.521 30 10 CJEE C=CC[C@@H](Cc1ccccc1)N[C@H](CC)CCC(F)(F)F 1462335379 TZECJDUHXBMSEN-CVEARBPZSA-N 299.380 4.885 30 10 CJEE CCCCCCCCCCN1C[C@H](C)OC[C@@H]1CC 1473105540 NALUCYKUEPOKLK-IRXDYDNUSA-N 269.473 4.626 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2ccc3c(c2)CCC3)C1 1473627461 KNJAKIPDNZOVOX-JKSUJKDBSA-N 269.432 4.524 30 10 CJEE C=CCCCN[C@@H](C)c1cccc(SC(F)(F)F)c1 1473807655 VELLHHSALVLCFQ-NSHDSACASA-N 289.366 4.915 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC2(c3ccccc3Cl)CC2)C1 1474103153 WCHAKOCLBNIWPW-LSDHHAIUSA-N 289.850 4.706 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(C)c1 1527714114 GHKYOQZIXXRHMT-UHFFFAOYSA-N 273.420 4.642 30 10 CJEE C=C[C@@H](CC(=O)OCc1ccc(F)cc1C)c1ccccc1 1534635405 LTMWLJOKWAORBI-HNNXBMFYSA-N 298.357 4.537 30 10 CJEE C=CC(C)(C)CC(=O)N(CCCC)[C@H]1CCC[C@@H](C)C1 1544646606 HGCJYAFFKSFJGC-CVEARBPZSA-N 279.468 4.796 30 10 CJEE C=C(C)CCOc1cc(F)c(Cl)cc1Br 1559402278 QSPZPESTQLOQIF-UHFFFAOYSA-N 293.563 4.587 30 10 CJEE C#CCN(CCCC1CCCC1)[C@@H]1CCc2ccccc21 1559499421 TWDFEGVEJPKNQD-HXUWFJFHSA-N 281.443 4.580 30 10 CJEE C=CCC[C@H](N[C@@H]1CC[C@H](C)SC1)c1ccccc1 1560405474 CRVMECHRGCQAMN-UAGQMJEPSA-N 275.461 4.568 30 10 CJEE C=CC(C)(C)NCc1sc2c(Cl)cccc2c1C 1560614234 CUPDJDQLFWTUIB-UHFFFAOYSA-N 279.836 4.917 30 10 CJEE C=CCC(C)(C)C(=O)OCc1cc(Cl)ccc1Cl 1584764728 LNGRAEZGTFTRSI-UHFFFAOYSA-N 287.186 4.639 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccsc1C(F)F 1586146045 SMJYMGLXDZRAEC-JQWIXIFHSA-N 299.386 4.550 30 10 CJEE C=C(CC(C)C)C(=O)Nc1c(C)cccc1C(C)C 1621085664 XRUPQRBGQJMVMB-UHFFFAOYSA-N 259.393 4.659 30 10 CJEE C=CCC[C@@H](C)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1621200524 MKWREFDXTILOJE-KDOFPFPSSA-N 273.395 4.706 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC1CCC2(CC1)CC2 1647741296 LWGKZCKKEQXBQT-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C#Cc1ccc(N[C@H](C)Cc2cccc(F)c2)c(Cl)c1 1653185267 VDEPDYCVEOGYCL-GFCCVEGCSA-N 287.765 4.504 30 10 CJEE C=CCC[C@@H](NCc1ccc2[nH]ccc2c1)c1ccccc1 1655956511 GTURBHKDAXUZIL-LJQANCHMSA-N 290.410 4.965 30 10 CJEE C=CCCC1(CNC[C@H]2CCc3ccccc3C2)CCCC1 1658542593 XNCGOFJBUMWQSM-SFHVURJKSA-N 297.486 4.908 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@]1(C)C[C@@H]1c1ccccc1 1659642117 SOMQDILZHLTJAI-YSTOQKLRSA-N 283.459 4.905 30 10 CJEE C=CCCCCC[C@@H](C)NC[C@@H]1CCCCC1(F)F 1659882101 JVOZKKIZTIXESU-CABCVRRESA-N 273.411 4.927 30 10 CJEE C=C(CC)CN1CC[C@@H](c2ccc(C)cc2)C1(C)C 1659950237 BKYQOYHXMQORMV-KRWDZBQOSA-N 257.421 4.529 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c(Cl)c1 1660117011 JTFZUPULKWOZLP-HUUCEWRRSA-N 273.807 4.702 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cc(C)ccc1Cl 1675407605 NMMMDIHWHURNEC-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE C=C(C)CN(C)C(=O)N[C@@H](CCCCC)c1ccccc1 1678233578 PJBNPBKDDIYORR-KRWDZBQOSA-N 288.435 4.526 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(CC2CC3(C2)CC32CC2)C1 1877103199 UOSPBCVLYQJVLF-VUGNNNGISA-N 260.421 4.742 30 10 CJEE N#Cc1ccc(OC2CC3(CCCCC3)C2)c(Cl)c1 1878970691 LLSRGGTZBCHPLQ-UHFFFAOYSA-N 275.779 4.703 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@@H]1CCCCC12CC2 1879649890 GFJZTHJEPXYCNN-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC#CCCC[C@@]1(CNC(C)C)CCCC(C)(C)C1 1879651651 VFQAYGOXIMJWKA-GOSISDBHSA-N 263.469 4.765 30 10 CJEE C=C(CN(C)[C@@H](CC)CCC(C)C)c1ccccc1 1883337306 ITBCXRIRDOBVRD-SFHVURJKSA-N 259.437 4.846 30 10 CJEE CC#CCCCC[C@H](NC)[C@H]1CCC[C@H](CC)CC1 1885237450 PKNHPWFSJSUMFM-BZSNNMDCSA-N 263.469 4.765 30 10 CJEE CC#CCCCC[C@H](O)c1cc2cc(F)ccc2s1 1885244723 MTBGEZIKNZOJPP-AWEZNQCLSA-N 276.376 4.658 30 10 CJEE CC(C)(C)C#CC[C@](C)(O)c1cc2ccccc2s1 1886379738 FNLBZJOUCTXADC-KRWDZBQOSA-N 272.413 4.548 30 10 CJEE C=C(Br)CNc1ccc(Cl)c(C)c1Cl 1888964739 GWZKQFXYSDZTLW-UHFFFAOYSA-N 295.007 4.622 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1ccccc1C1CCC1 1893216612 YSVCAODYORELBY-AWEZNQCLSA-N 256.393 4.552 30 10 CJEE C=C(CN(CC)[C@@H]1CCCC1(C)C)c1ccccc1 1910878620 MXWPOAWPMLVHKY-QGZVFWFLSA-N 257.421 4.600 30 10 CJEE Cc1c(Cl)cccc1C[C@]1(C#N)CCC[C@H](C)C1 1913192042 LATFYTFZVRNQMV-LRDDRELGSA-N 261.796 4.911 30 10 CJEE C=CC[C@@H](C)[C@@H](O)c1ccc(-c2ccc(F)cc2)s1 1919685303 YJTNFIRYGCHJBN-BDJLRTHQSA-N 276.376 4.800 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](N)c1ccc(Cl)cc1C 1920347473 MIUPLFOBBMTGQW-DLBZAZTESA-N 297.870 4.760 30 10 CJEE Cc1ncc2ccccc2c1C(=O)C=C1CCCCC1 1922729395 UOKFUUXPURAYIJ-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE C=C([C@@H](NCC)[C@H](CCC)CC(C)C)[Si](C)(C)C 1922866710 AVOMLWWZMOFRDB-HZPDHXFCSA-N 269.549 4.861 30 10 CJEE C=C([C@H](O)C1CCC(C(C)(C)C)CC1)[Si](C)(C)C 1923035668 CHDSYFNBRVVXCI-NRXISQOPSA-N 268.517 4.633 30 10 CJEE CCCCCCC[C@@H]1[C@@H](CN)CCCC12CCC2 1924850039 YPDKUVDBMKDAGO-HZPDHXFCSA-N 251.458 4.892 30 10 CJEE C[C@H](N(Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N)C(C)(C)C 1931996096 FGSGVSURJXCJQG-CGTJXYLNSA-N 284.447 4.615 30 10 CJEE C=CCCCCCOc1cccc(Br)c1F 1936112701 NNPXQFGDNWEPNX-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)s1 1942300912 VNRCAHTYVNAWOG-SNVBAGLBSA-N 283.183 4.732 30 10 CJEE C=CCCC(C)(C)CNCc1cc(Cl)sc1C 1948784634 KEMIXFFTRMXSIZ-UHFFFAOYSA-N 271.857 4.792 30 10 CJEE CC1(C)CCCC[C@@H]1CNc1cc(Cl)ccc1C#N 1970082884 UMBCPEZZCXEPTB-CYBMUJFWSA-N 276.811 4.840 30 10 CJEE C=CCCCC[C@@H](N)c1cc2cscc2s1 1984518600 YXQVDBUTGZEJQN-LLVKDONJSA-N 251.420 4.709 30 10 CJEE C=CCCCC[C@@H](NCCC)c1scnc1Cl 2009481037 DXJHTLFGINOWBU-LLVKDONJSA-N 272.845 4.584 30 10 CJEE CC1CCC(C=O)(CCCCC(F)(F)F)CC1 2023304007 JMSKTNAVZNOLDH-UHFFFAOYSA-N 250.304 4.505 30 10 CJEE CCCCCCC[C@H](NC)C1(CC(F)F)CCC1 2034495891 RRVVXXSFXZOICI-ZDUSSCGKSA-N 261.400 4.760 30 10 CJEE Cc1sc(Cl)cc1[C@@H](O)CC#CC1CCCCC1 2036880632 OVLBPHBMTWRNJY-AWEZNQCLSA-N 282.836 4.717 30 10 CJEE C=C(C)CC[C@H](NCC)[C@@H]1CCCC(C)(C)CC1 2039381591 RMXDOSKGLHOFRR-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C[C@H](CC[C@]1(C=O)CCCC(C)(C)CC1)C(F)F 2039984185 JRHFWLLCMRDMEV-IUODEOHRSA-N 260.368 4.843 30 10 CJEE C#C[C@H](C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 2045680674 NGIFMHBIJNUWGD-JTQLQIEISA-N 274.772 4.521 30 10 CJEE CC(C)(C)[C@H](CC(=O)C1=CCCCCC1)C(F)F 2048776109 VSIPIJMIGRMOLN-GFCCVEGCSA-N 258.352 4.764 30 10 CJEE C=CCC[C@H](C)C[C@H](NCC)c1cccc(Cl)c1 2050513911 VBUPJLATQHNPPX-BBRMVZONSA-N 265.828 4.983 30 10 CJEE C=C[C@@H](C)C[C@@H](CC(C)(C)C(F)(F)CC)NCC 2053068117 XATKSKHYWVUIHB-OLZOCXBDSA-N 261.400 4.638 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@]1(C=O)CCCCC1(C)C 2053400733 MZJFOKIZUFABOO-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE CCC(F)(F)C(C)(C)C[C@]1(C=O)CCCC12CC2 2053409789 BMBWFOWWUWZSNM-AWEZNQCLSA-N 258.352 4.597 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]1F 2055522606 VUEZRXJPFKUBED-OAGGEKHMSA-N 257.437 4.853 30 10 CJEE CC1=CC(=O)[C@H](CCc2cc(Cl)cc(Cl)c2)CC1 2055537117 SBKYNWXGWAAMOU-LBPRGKRZSA-N 283.198 4.851 30 10 CJEE CCc1c(OC(F)F)ccc(C(F)(F)F)c1C(F)F 2060291040 KUQOFHYMBJQKGL-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE CC1(C)CC=C(C(=O)c2ccc(F)c(Cl)c2)CC1 2061190450 WXDKJPWMWJUUST-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE CC(C)CSCC(=O)C1=CC[C@H](C(C)(C)C)CC1 2061191019 BQWWZCPIORDZQQ-AWEZNQCLSA-N 268.466 4.717 30 10 CJEE CC[C@H](CCC(C)C)N(C)C[C@H](CS)C(C)(C)C 2066061162 MZZUHOWKBNJAMZ-HUUCEWRRSA-N 273.530 4.725 30 10 CJEE C#Cc1cc(CC(C)C)nn1[C@@H](C)c1c(C)cc(C)cc1C 2070133994 HTHPGGKJSBPJHX-KRWDZBQOSA-N 294.442 4.597 30 10 CJEE CC#CCCCCC(=O)c1csc2ccccc12 2075409897 WGBKZMWMKWYCCB-UHFFFAOYSA-N 256.370 4.668 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(SC)c2)CC1 2075724559 MHLQDNNVMXJGII-INIZCTEOSA-N 262.418 4.578 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)C(CCC)CCC 2076089994 ZCENFFRRVPHRQV-WBVHZDCISA-N 251.458 4.621 30 10 CJEE CCCCCCCCCC[C@H](F)[C@]1(C)CCCN1 2076982093 DDXQAWWDLBIUAB-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE CCCCCCCCCN[C@@H](C(F)F)C1CCC1 2077261467 VLTITIBGWPVTCM-CQSZACIVSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC(=O)[C@]12CCC[C@@H]1CSC2 2082071437 SSNYOGZRQFSHFF-ZBFHGGJFSA-N 268.466 4.839 30 10 CJEE C=CCCCCCC[C@@]1(CNC(C)C)CC1(C)C 2085841239 GOKSQXDCVCHIFN-KRWDZBQOSA-N 251.458 4.927 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1C[C@@H]1CCC 2085853058 YOEUAYDEYUWCBT-BBWFWOEESA-N 251.458 4.927 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@@H]1C[C@H]1CF 2086283197 SHOSPRYAHPZIQM-XHSDSOJGSA-N 255.421 4.616 30 10 CJEE CCCCCCC[C@@H]1NCC2(CCC(CC)CC2)O1 2088334620 PVXZYMMCBJUKFL-AQFXKWCLSA-N 267.457 4.632 30 10 CJEE CCC[C@H](C)CCNc1cccc(SCC)c1C#N 2090437746 WNYKAXZJABFJBD-ZDUSSCGKSA-N 276.449 4.908 30 10 CJEE CCCCCCCCC[C@]1(O)CC[C@@H]2[C@H](C1)C2(F)F 2090787916 OMWIWXSJYLGCMO-ILXRZTDVSA-N 274.395 4.923 30 10 CJEE CCCCCCCCC[C@@H](O)C(=O)C[C@@H](C)CCC 2090886955 LFCUKCFVLPUXGS-JKSUJKDBSA-N 270.457 4.883 30 10 CJEE CCCCCCCCCC(=O)[C@@H](O)C1(CCC)CC1 2091094288 HWYKWORALSQVMS-MRXNPFEDSA-N 268.441 4.637 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H](C)C1CC1)NN 2093135887 XANIECHICLCYSL-NVXWUHKLSA-N 268.489 4.785 30 10 CJEE Cc1ccc(C(=O)CC#CC2CCCCC2)c(Cl)c1 2093459272 DYAWHIHFCWYVIF-UHFFFAOYSA-N 274.791 4.805 30 10 CJEE C=C([C@H](O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2)C(C)(C)C 2096635563 ZTCAHKSESZNOSV-COTXFKEESA-N 262.437 4.556 30 10 CJEE CCCCCCC[C@@]1(C)NC[C@@H](CC(C)(C)C)CO1 2100102652 RRBWPUGAPRMLEO-WBVHZDCISA-N 269.473 4.735 30 10 CJEE CO[C@@H]1CCCC[C@H]1[C@@]1(C#N)CCCC(C)(C)CC1 2100878583 BLHXBLNQYKTAHJ-INMHGKMJSA-N 263.425 4.692 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@@H](C)C2(C)CCCCC2)N1 2101340353 VIKDUZQHTUUXTJ-BBRMVZONSA-N 282.497 4.597 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cccc(SC(F)(F)F)c1 2102103838 DIWKBXYCNCDCTK-GXFFZTMASA-N 289.366 4.901 30 10 CJEE C=CCCCCCNCC12CC3CC(CC(C3)C1)C2 2102197448 NRFBEABYGDXJNJ-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE C=C1C[C@@H]1C[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 2102477260 NJZZZEYJWXKFFQ-XDNAFOTISA-N 263.469 4.641 30 10 CJEE C=C1C[C@@H]1C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2102477600 QRVNLRJEVRAKMQ-KGLIPLIRSA-N 298.257 4.870 30 10 CJEE CCCCCCCC[C@H](NC)c1nsc(C(C)C)n1 2107057024 XTVNFNADPHZHTG-ZDUSSCGKSA-N 283.485 4.673 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccc(F)nc1 2107980756 UCJXREIVWBJSFT-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE C=CCOCC[C@](CC)(CCCC)CNC(C)(C)C 2108189617 GZOFXIXTWAYFTM-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](C)OCC(C)C 2109270325 WEHMMKIHDRPWBJ-DLBZAZTESA-N 271.489 4.776 30 10 CJEE CCCC[C@](C#N)(CC)[C@](C)(O)[C@@H]1CCC[C@H](C)C1 2112318755 UZRUBZUSXNGWTJ-HZMVEIRTSA-N 265.441 4.674 30 10 CJEE CCCCCCCCCCO[C@@H](C)[C@@H]1CCCCN1 2114198607 IAEKQGYUPNKQCJ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@]12CC2(F)F 2115295528 VMOHIOLHDJSTPV-KKUMJFAQSA-N 274.395 4.923 30 10 CJEE CCCCCN(CC(C=O)(CCC)CCC)C(C)C 2115630086 ZFCVKGCEKLGFTA-UHFFFAOYSA-N 269.473 4.673 30 10 CJEE CCCC[C@@](O)(CC)[C@]1(C#N)CCCCC12CCC2 2116990094 JDMAXGGQEAWOAK-IRXDYDNUSA-N 263.425 4.572 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@@H](OCC)C1 2118254879 BCEZQYHRNBAKJV-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE Cc1ccc(F)cc1CC1(C#N)CCC2(CC1)CC2 2120103313 UZRONWDMCZHZFW-UHFFFAOYSA-N 257.352 4.541 30 10 CJEE CC(C)[C@@H](CS)CN(C)Cc1ccc2sccc2c1 2120693112 KYHASDOCFJIVJH-OAHLLOKOSA-N 293.501 4.535 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(C(F)F)cs1 2120938918 SBDWXIHEVSJKML-ZDUSSCGKSA-N 285.403 4.920 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)C[C@H]1[C@H]2CCC[C@H]21 2121651845 UQPNPQVSGVFWHH-YYAJDYIMSA-N 285.497 4.830 30 10 CJEE C=CCCC[C@H](NC)c1ccc(C(F)(F)F)cc1Cl 2122681499 QJPIKHOTSFONJT-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(F)cc1F 2122782787 DEMMDFWDHYBUII-BONVTDFDSA-N 287.781 4.871 30 10 CJEE C=CCCCC[C@H](N)[C@H](c1ccccc1)[C@@H](C)CC 2123081561 XXSBPJIXBOYNKS-SZMVWBNQSA-N 259.437 4.890 30 10 CJEE C=CCCCC[C@H](Cc1ccc(C)cc1)NCCC 2123082209 CBUNDKCHAJIXMD-GOSISDBHSA-N 259.437 4.652 30 10 CJEE C=CCCCC[C@H](NCCC)C1C[C@H]2[C@H](C1)C2(C)C 2123084812 MMENYLYHDJBKRT-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C[C@@H](CC(F)(F)F)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2125184260 BSOTZIHMUWEMJL-JQWIXIFHSA-N 276.342 4.917 30 10 CJEE Cc1c(F)cccc1C(=O)C1=CC[C@@H](C(C)C)CC1 2125194892 QRIQQIKVJGZEKY-CYBMUJFWSA-N 260.352 4.699 30 10 CJEE CC1(C)CC=C(C(=O)[C@H]2CCCCC(F)(F)C2)CC1 2125224013 UBZNHPNDNRAMHD-ZDUSSCGKSA-N 270.363 4.908 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC(=C2CC2)C1 2125667245 SQMOQLAKFKGGFO-SFHVURJKSA-N 261.453 4.992 30 10 CJEE C=C(F)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2126109600 JFJMBEJWOGRKJV-UHFFFAOYSA-N 287.178 4.619 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H](COC)[C@@H](N)C1 2127234906 FOYHAPRKDTZRDX-IKGGRYGDSA-N 269.473 4.517 30 10 CJEE C=C1C[C@H]1CC1(CNC(C)(C)C)CCC(F)(F)CC1 2128482704 YSFLOBLTSXWKBI-ZDUSSCGKSA-N 271.395 4.536 30 10 CJEE CCCCCCCCC[C@@]1(F)CCC12CCNCC2 2130860476 QZLWBZHMSWRXBM-QGZVFWFLSA-N 269.448 4.999 30 10 CJEE C=CC1(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CCCCC1 2132973569 KHTUIKKIEPSNRK-QAETUUGQSA-N 261.453 4.537 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCOCC1(C)C 2133238051 AVJJYMBBEFVNNU-CVEARBPZSA-N 269.473 4.517 30 10 CJEE CCCCC#CC[C@@](C)(O)c1cc2ccccc2s1 2138912457 OLWKUHFEPDVRPI-QGZVFWFLSA-N 272.413 4.693 30 10 CJEE CCCCCC#CC[C@@]1(C(=O)O)CCC=CCCC1 2138947878 HJKZOWDXYDOBKR-QGZVFWFLSA-N 262.393 4.552 30 10 CJEE CCCCCC#CC[C@]1(O)CCCCC12CCCC2 2138948723 VXTDEOUNGSXYAQ-SFHVURJKSA-N 262.437 4.826 30 10 CJEE CCCCCC#CCN(C)CC1CC(C(C)(C)C)C1 2139024189 PVDRKJSRFICMIT-UHFFFAOYSA-N 263.469 4.574 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 2139051544 GJIBROUKTCKEOQ-CVEARBPZSA-N 262.437 4.992 30 10 CJEE CC[C@@](C=O)(CC1CC2(C1)CC1(CCC1)C2)C(C)C 2139219606 UNNGEIGVUXCYEY-SFHVURJKSA-N 262.437 4.988 30 10 CJEE C=CCCCCCCC1(CNC2CC2)CCSCC1 2141908781 PFVRIGBMLWTEFS-UHFFFAOYSA-N 281.509 4.778 30 10 CJEE C=CCCCCCCCCC[C@H](O)C(C)(C)OCC 2142450613 NHFNDFPAWNHGNH-INIZCTEOSA-N 270.457 4.859 30 10 CJEE CCCCCCCC[C@](C)(N)c1cnn(C2CCC2)c1 2143575570 NLJHISOVGMNBOC-KRWDZBQOSA-N 277.456 4.533 30 10 CJEE CCCCCCCCCC[C@@]1(O)C[C@@H]2CCCCN2C1 2144863518 CTKLQIXACKMFAP-ZWKOTPCHSA-N 281.484 4.507 30 10 CJEE CCCCCCC[C@@H](O)[C@H](N)c1cccc(C(C)C)c1 2147431051 YGIKATBGYVOTIQ-QZTJIDSGSA-N 277.452 4.531 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H](O)[C@@]1(C)CC1(C)C 2148591111 ONQYCBMXPHRMSY-XYJFISCASA-N 283.500 4.642 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](O)C1(CC)CCC1 2148591221 OQNZBNAUBRHBIT-IRXDYDNUSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@]1(O)CCCC[C@@H]1C 2148592967 WPUPUMHWYYJUFH-OKZBNKHCSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H](O)CC1CC1 2148595978 ORNVSNMTQXZBDJ-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(O)CCC(F)(F)F 2148598389 DFLIIRDCOJIEEG-UONOGXRCSA-N 297.405 4.548 30 10 CJEE CCCCCCCCC[C@H](N)[C@@]1(O)CCC[C@@H](CC)C1 2148619897 PDPXNWIUMILLGX-FGTMMUONSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](O)C1CCCCC1 2148623574 CIDMHWNVOJZDRN-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE CCC[C@@H]1CCSC(=NC[C@@]23CCCC[C@H]2CCC3)N1 2149134707 GENRFMROLYSGQJ-UXLLHSPISA-N 294.508 4.598 30 10 CJEE C=C1CCC(C[C@@H](NN)C(C)(C)C2CCCCC2)CC1 2149626584 ZZCVLQRRUYSEIT-QGZVFWFLSA-N 278.484 4.561 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CC[C@H]2CC(C)(C)C)C1 2150441994 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C=CC[C@@H](C)[C@H](NCC)c1sc(C(F)(F)F)cc1C 2277877347 DFHORKZGHGPDOB-SKDRFNHKSA-N 291.382 4.938 30 10 CJEE CCCCCCCCC[C@@]1(C)NC2(CO1)CC(C)C2 2278126724 GMANEGWFBNVIQI-CGZBRXJRSA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCCOCC1 2278239010 LEWLXTRIQDAXLM-SJORKVTESA-N 269.473 4.674 30 10 CJEE CC[C@H]1CCCC[C@@H]1CNc1cc(C)c(C#N)c(C)c1 2280561820 CEJWSSVVSVPDKP-JKSUJKDBSA-N 270.420 4.803 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1(CC(C)C)CC1 2284185695 SIFDBRRDDLRKOM-KRWDZBQOSA-N 275.480 4.787 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(C)n1C(F)F 2284764090 AHMSDNHCALOSRO-ZDUSSCGKSA-N 287.398 4.727 30 10 CJEE C[C@H]1C[C@@H]1CCCCCN(CC#N)C1CCCCCC1 2284942115 XTGAODSAMREMOB-IRXDYDNUSA-N 276.468 4.751 30 10 CJEE C#Cc1cccc(N(CC)CCCCC[C@@H]2C[C@H]2C)c1 2284945512 KTQAUZAHAKOXCI-SJLPKXTDSA-N 269.432 4.711 30 10 CJEE CC(C)(C)c1cccc(N[C@@H]2CCCCC[C@@H]2C#N)c1 2285717801 YETHRZKCRCGNGN-RHSMWYFYSA-N 270.420 4.868 30 10 CJEE C=CCCCS[C@@H]1Cc2c(C)cccc2[C@H]1NCCC 2287079205 KZCSWATZDSLZDH-QZTJIDSGSA-N 289.488 4.660 30 10 CJEE C=C(C)CCCC[C@H](COc1ccc(Cl)cc1)NCC 2287412791 GBNRFWKDFWHNKY-MRXNPFEDSA-N 295.854 4.833 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1snnc1CCC 2287413808 LGTBJSLXHSVXOG-AWEZNQCLSA-N 295.496 4.668 30 10 CJEE C=C(C)CCCCOc1cccc(Cl)c1CNC(C)C 2287414009 MQKACPUDCPFBRC-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCCCOC)C1 2287553126 XJKMKZZJYDISAI-BZUAXINKSA-N 297.508 4.891 30 10 CJEE C#CC1(NC[C@H]2CCC[C@@H](CC)C2)CC2(CCCC2)C1 2288216980 XKCFJIWUSQVURB-SJORKVTESA-N 273.464 4.519 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1CCCCC12CC2 2289716131 UOLXYTCCHKIXDX-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CCN[C@H](CCCC#CC1CCCC1)c1ccccc1 2289884857 YRQDZPQREPJULT-LJQANCHMSA-N 269.432 4.701 30 10 CJEE C=CC[C@H](C)C1(OCCC(=O)O)CCCCCCCC1 2290700185 UXTOXOJQSCZWTR-HNNXBMFYSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCCCN)CC[C@@H](C)C[C@H]1C 2293878551 IVKBTFSRLYYZCO-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1CCCC[C@H]1CC 2294361766 LKVKGUCRJLOWIJ-KURKYZTESA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@H](OCCN)C1CCC(CC)CC1 2294364395 WBPZXZASGACNCX-DAWZGUTISA-N 283.500 4.907 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(C(F)(F)F)s1 2294983560 HGEUDNHFBJXMAU-NSHDSACASA-N 296.317 4.752 30 10 CJEE CCCCCCCCC[C@@](C)(OC1CCCC1)C(=O)O 2295586148 URBUAAOVRABJNU-QGZVFWFLSA-N 284.440 4.930 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H]1CC(C)(C)CO1 2295668726 MBRBMCLYBPCWJD-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1nnc(C)s1 2295676841 OTZUSTZIYVNKOK-CQSZACIVSA-N 297.512 4.508 30 10 CJEE Cc1cc(OC(C)C)ccc1C(=O)C=Cc1ccc(F)cc1 2295967816 WPHPRFZSZSWNKS-UHFFFAOYSA-N 298.357 4.817 30 10 CJEE Cc1ccc(C(=O)C=CC=Cc2cccs2)cc1 2296887185 CNOBLRLRFISOQL-UHFFFAOYSA-N 254.354 4.509 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(CCC)s1 2300610715 LFZMWHOWUTZXSW-AWEZNQCLSA-N 251.439 4.708 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1cccc(Cl)c1Cl 2302848672 HQIPOSKGIJZJIZ-RISCZKNCSA-N 270.203 4.610 30 10 CJEE C=CC[C@H](C)N(C)Cc1cc(F)c(Cl)cc1Cl 2306245667 NVWYTTWJGPDXHU-VIFPVBQESA-N 276.182 4.529 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2307306293 CHMOKZBKSQMCIA-AMIZOPFISA-N 276.182 4.605 30 10 CJEE C=CCC(CC=C)OC(=O)[C@H](CCC)CC(C)C 2313539654 NSIGLYZDUITPEP-CQSZACIVSA-N 252.398 4.513 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCc1sc(C)c(C)c1C 2315465876 QAFVDQLHQQKCJC-HUUCEWRRSA-N 263.450 4.508 30 10 CJEE CC[C@@](C=O)(Cc1ccc(F)c(C)c1Cl)C(C)C 2317173636 HLSPYZLRRIMKCA-HNNXBMFYSA-N 270.775 4.581 30 10 CJEE C#CCCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2318356904 FRUMPUYDBAXCJR-ZDUSSCGKSA-N 289.177 4.750 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(C)c(Cl)c(C)c1 2319260027 BXBGCUCHYIJTFY-HOCLYGCPSA-N 263.812 4.574 30 10 CJEE C=CCC[C@H](C[C@@H]1CC[C@H]1C(C)(C)C)NCCC 2320240795 OSTQTKFFPNSWJD-ARFHVFGLSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]1CC)NCCC 2321097214 ZMEROVZQSFNOHE-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(C2CC2)ccc1Cl 2321130040 GCRPKWRVNYMWPL-OAHLLOKOSA-N 263.812 4.820 30 10 CJEE CCCCCCC[C@@](C)(SC[C@H](C)CC)C(=O)O 2326905390 ZPTCDSBDSMQZHO-UKRRQHHQSA-N 274.470 4.970 30 10 CJEE CC(C)(C)[C@](C)(CS)CSC[C@@]1(C)CCCOC1 2327097412 TZNWODBWLXJOIJ-LSDHHAIUSA-N 290.538 4.519 30 10 CJEE CO[C@H](CSC[C@H](CS)CC(C)C)C1CCCC1 2328539473 PXIYQYKKSHFLLF-DZGCQCFKSA-N 290.538 4.517 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)cc1CNCC(C)C 2335243419 YGRBXBREKWHFIQ-OAHLLOKOSA-N 277.477 4.797 30 10 CJEE CCCCCCCC[C@@](C)(O)c1cnccc1SC 2336833684 PDVPIQXOHOJIMO-MRXNPFEDSA-N 281.465 4.762 30 10 CJEE C=CCCCCC[C@@](C)(CCCC(C)C)OCCN 2337648236 JASTZDIUFXYLID-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@](C)(F)C(C)(C)F 2338740569 GPKOQFBWNGHOOZ-ZBFHGGJFSA-N 273.411 4.599 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1CC2(C1)CC2(C)C 2338746687 ISHBYMMXLMLCDE-UPTPFMHGSA-N 261.453 4.559 30 10 CJEE N[C@@H](CC#CC1CCCCC1)CCC1=CCCCC1 2340297047 GTIPGKHCWORKFX-SFHVURJKSA-N 259.437 4.568 30 10 CJEE C=C(C)C[C@@H](Cc1ccc(CCC)cc1)NCCC 2341923689 QOIDVOYZYJDCOM-SFHVURJKSA-N 259.437 4.516 30 10 CJEE CC(C)(C(=O)CCCCC(F)(F)C(F)(F)F)C(F)F 2342330580 NHYWOGLWDLLDLI-UHFFFAOYSA-N 296.226 4.605 30 10 CJEE CCCCCCCC(=O)c1cc2c(cn1)CCCC2 2342607592 QUXJJBVIKJWWAJ-UHFFFAOYSA-N 259.393 4.504 30 10 CJEE CCCCC#CC[C@H](NCC)[C@H]1CC[C@@H]1C(C)(C)C 2343072845 MOWPDCJRGQNGIW-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CCC[C@@](C)(C#N)CCCCc1ccc(OC)cc1 2344050831 YDKAXGVDADIQMF-QGZVFWFLSA-N 259.393 4.738 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccccc1CC 2344341419 BRMYDHWTDQJEAS-QZTJIDSGSA-N 259.437 4.892 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@H]1C[C@H]2CCC[C@H]1CC2 2344346990 XSHMFEIOUSCSRX-JCECYMMASA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@]12CCCC[C@H]1CC2)NC 2344373070 XODMQUMCVRCBHW-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cc(C(C)C)ccn2)CC1 2352984500 VAJDQLFQTZDUQX-CYBMUJFWSA-N 257.377 4.524 30 10 CJEE C=CCOc1ccc(C(=O)C[C@H](CC)CCC)cc1 2353459913 HAARGEGELASLAM-CQSZACIVSA-N 260.377 4.651 30 10 CJEE CSc1cc(NCCC[C@@H]2CC2(C)C)ccc1C#N 2353831775 VKWXHRFEHRPIJH-CYBMUJFWSA-N 274.433 4.518 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NN 2355641071 GRVVIOMDPAFKKS-ZJPYXAASSA-N 280.500 4.785 30 10 CJEE CCCCCCCC[C@@](C)(OCCCN)C1[C@@H](C)[C@@H]1C 2360074197 MNFGOSHQICTOHB-XYJFISCASA-N 283.500 4.763 30 10 CJEE C=CCC(CC=C)NCc1csc(C2CCCCC2)n1 2360204411 CZQSBWPHPFCJNC-UHFFFAOYSA-N 290.476 4.801 30 10 CJEE N#Cc1ccc(Nc2cccc(Cl)c2Cl)c(F)c1 36886663 ZMUQQKDUYSFSBT-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 37333966 NCPHNZBMBWHRTN-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE CCCCCCCNCc1ccc(CN(CC)CC)cc1 59090687 KXPALOFXBQBRJJ-UHFFFAOYSA-N 290.495 4.588 30 10 CJEE CCCCCCCCCc1noc(NC(C)=O)c1Cl 59482922 GSUFGNOJENSDOI-UHFFFAOYSA-N 286.803 4.580 30 10 CJEE COc1ccc(Cl)cc1[C@H]1CCCC[C@@H]1CC#N 62661275 IHKVBSDVAGWWPA-YPMHNXCESA-N 263.768 4.536 30 10 CJEE COc1cc(C)c(C)cc1-c1cc(CC#N)c(C(C)C)o1 77079903 XCBMTSHURNHXML-UHFFFAOYSA-N 283.371 4.762 30 10 CJEE Cc1ccc(-c2cc(CC#N)c(C(F)(F)F)o2)c(C)c1 77085931 NYCBIYDLHMGPAT-UHFFFAOYSA-N 279.261 4.648 30 10 CJEE CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 80460113 NBBIQJVLPCELFN-STQMWFEESA-N 292.448 4.515 30 10 CJEE CC(C)c1nc(C2CCCCC2)sc1CS 82430797 VCWRTABJTMAZDT-UHFFFAOYSA-N 255.452 4.744 30 10 CJEE CCCc1c(-c2ccc(F)cc2Cl)sc(C#N)c1N 93074566 XRYZUYZMKJAWSG-UHFFFAOYSA-N 294.782 4.614 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)CCCCC2(C)C)CC1 94285072 DHESXTNKPWFGAY-VMWRSERWSA-N 277.452 4.674 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(C2CC2)cc1 94521346 UCTWZSVPVKZRKZ-GOSISDBHSA-N 262.356 4.549 30 10 CJEE CC[C@@H](CS)COc1ccc(C(C)(C)C)cc1C 94584357 ROBALABPMDAIEE-CYBMUJFWSA-N 266.450 4.627 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(OC)c(C(C)(C)C)c1 107613181 RQMWMUAIRJJIAD-UONOGXRCSA-N 258.405 4.756 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(OC)c(OC)cc1Cl 107677475 HOHLWBLGOUQHIP-NWDGAFQWSA-N 280.795 4.510 30 10 CJEE CCCCCCC[C@@H](CN)N(C)[C@@H](C)c1ccccc1F 110027016 LJANSTWCGOERRW-HOTGVXAUSA-N 294.458 4.506 30 10 CJEE CCCCCCCO[C@H](C)[C@H](NC)c1ccc(CC)cc1 110081560 QXXPBMWGHXOYPV-APWZRJJASA-N 291.479 4.885 30 10 CJEE CCC[C@](C)(C=O)CN(CC)c1cccc2ccccc12 110118285 IGXZBILYMHDJRT-IBGZPJMESA-N 283.415 4.671 30 10 CJEE Cc1ccc2cccc(Nc3ccc(C#N)c(Cl)c3)c2n1 110258350 OAWSYGBNOOHMKF-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCCCCN1C[C@H](C2CC2)NC[C@@H]1CCC 114072296 MUEUFSMGWNHWOK-RBUKOAKNSA-N 294.527 4.590 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc(OCCCC)cc1 122315534 HBQFDWKOSLYVMY-GOSISDBHSA-N 292.467 4.730 30 10 CJEE C[C@@H](NCC(C)(C)C#N)c1ccc(-c2ccccc2)cc1 122327695 NXJBWNIULAWIGO-OAHLLOKOSA-N 278.399 4.554 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1n1c(S)nc2ccc(C#N)cc21 125087178 CWMFPUPNKWSGOO-UKRRQHHQSA-N 299.443 4.584 30 10 CJEE CCCCCCCCCC(=O)c1cc(OC)ccc1N 158043756 IDWSPFJJGIRRGG-UHFFFAOYSA-N 277.408 4.601 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](CCC)OC 158219062 RRQUJYFODWWWFS-HZPDHXFCSA-N 257.462 4.530 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1NCC1CCCCCC1 158342098 YRIUSBFRRUZOJG-UHFFFAOYSA-N 296.336 4.959 30 10 CJEE CCCCCCCCN1C[C@@H]2CCCCN2C[C@@H]1C(C)C 159022573 ZATOIOOPMPDUSF-RBUKOAKNSA-N 294.527 4.542 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 159158184 WJGMKSJBDBIZJF-HNNXBMFYSA-N 292.423 4.914 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1ccc(C#N)c(Cl)c1 163200635 PTMLYZUQYDGBDJ-YLQAJVPDSA-N 288.822 4.838 30 10 CJEE N#Cc1ccc(CSc2ccc3c(c2)CCC3)c(Cl)c1 163427366 DYEYRYLIJLZZRF-UHFFFAOYSA-N 299.826 4.993 30 10 CJEE N#C[C@@H](c1ccccc1Br)C1CCCCC1 167867914 KWJRESMYRPDHJT-CYBMUJFWSA-N 278.193 4.637 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(F)c(Cl)c1 212501058 XRMHBNAAPQXMDR-UHFFFAOYSA-N 252.716 4.552 30 10 CJEE N#Cc1ccc(Cl)cc1NCCCC1CCCC1 225322562 CHZBNBDTOQTZBM-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE CCCCN(c1ccccc1)c1cc(F)cc(C#N)c1 227620095 ZLPKJOJMXZBAGB-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(F)c2)C1 227806238 AMWPYWOLVSNKLE-JMSVASOKSA-N 263.381 4.636 30 10 CJEE CCCCCCCCCCOc1cnn(C(C)C)c1 228151571 BIEBQIGFWOEJQF-UHFFFAOYSA-N 266.429 4.984 30 10 CJEE C=C(C)CC[C@@H](NC)c1ccc(Cl)c(Cl)c1 229056115 OHLOTKOTVMEEOA-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCC(=O)Cc1cc(Cl)cc2c1OCC2 229475123 QWBFZBDBYFBGEM-UHFFFAOYSA-N 294.822 4.747 30 10 CJEE Cc1cc(C)nc(SC[C@H](CS)c2ccccc2)c1 229876592 DIKKGEKTMCIUIT-HNNXBMFYSA-N 289.469 4.504 30 10 CJEE CCCCCSc1ccc(C#N)cc1Br 233088726 UKDPTVXYEOYXAT-UHFFFAOYSA-N 284.222 4.603 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(C)ccc1F 233607216 YCSWCBXQEJLKFN-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE Cc1cccc(CSCCCCC(C)(C)C#N)c1 235782980 AABJYTVTOZHKMB-UHFFFAOYSA-N 261.434 4.948 30 10 CJEE CC[C@@H](C)c1ccccc1NC(=O)Nc1ccccc1C#N 244391450 YFUJHOZUSOSNIS-CYBMUJFWSA-N 293.370 4.716 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@H](C)c1ccccc1Cl 251337510 PMVCHEZZEAAYSM-OLZOCXBDSA-N 285.884 4.535 30 10 CJEE Cc1ccc(N=C/C=C\c2ccc([N+](=O)[O-])cc2)c(C)c1 252629411 UFHNXMJRKANILJ-SRYOLRMTSA-N 280.327 4.627 30 10 CJEE C[C@](C#N)(Cc1ccccc1)c1ccc2ccccc2c1 259641056 RWPVKQRDAYECHH-HXUWFJFHSA-N 271.363 4.864 30 10 CJEE Cc1cccc2c(CC(C)(C)C#N)cn(C(C)C)c12 260280019 LRQXXQNJXKIIGL-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE N#C[C@H]1CCC[C@@H](c2ccccc2C(F)(F)F)C1 260558863 VQIJPYHREVWPRT-WDEREUQCSA-N 253.267 4.503 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc2c(c1)OCC2 308495179 VABRGNODBVZMDD-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC2CCC1CC2 311199864 HCYUHATUHAYWKS-ZGRYLRDCSA-N 251.458 4.904 30 10 CJEE Cc1ccc(C)c([C@H](C)Nc2cccc(CC#N)c2)c1 313442275 WILNJZQZAGNSKC-HNNXBMFYSA-N 264.372 4.543 30 10 CJEE CCCCCCCCC[C@H](CNCC)OC(C)C 316104350 CMBMBQMHDWTBCM-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2cc(Cl)ccc2Cl)C1 317175367 PBHBDDLSJIQJQG-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE CC1(C)CCC(C=O)(CCCc2ccccc2)CC1 317911114 RELWMICUBYANIH-UHFFFAOYSA-N 258.405 4.795 30 10 CJEE C=C(CC)CC1(CNC2CC2)CCC(C(C)C)CC1 318069385 GJNUXLIGTJXZNA-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CCCCCNc1ccnc2cc(Cl)ccc12 381161582 RKQYMBKEHDTANS-UHFFFAOYSA-N 260.768 4.656 30 10 CJEE C=CC[C@H](CC)N[C@H]1c2cc(Cl)ccc2CC1(C)C 393783685 VLRUOFILZMKVMM-HOCLYGCPSA-N 277.839 4.908 30 10 CJEE CCCCCCCC(=O)c1cc(Br)oc1C 396750273 UPBVGFUMHJHXBG-UHFFFAOYSA-N 287.197 4.894 30 10 CJEE CC[C@@H](CC(F)(F)F)CC1(C=O)CCCCC1 402485527 SVPPLEJGEZVEJP-LLVKDONJSA-N 250.304 4.505 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1CCC 464482705 PJXMKGUFVBWSHI-NVXWUHKLSA-N 285.431 4.913 30 10 CJEE C#CCCCCCC(=O)C1(c2ccccc2)CCCC1 686693564 DMLFUMRTUBDOBB-UHFFFAOYSA-N 268.400 4.651 30 10 CJEE CCN(CCC(F)(F)F)CC1(CS)CCCCCC1 688586270 IDMMDECZHFKQFH-UHFFFAOYSA-N 297.430 4.531 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)O)c(Cl)c1 692216285 YDBRWWFQVMQPPU-NHYWBVRUSA-N 293.794 4.585 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(Cl)c(F)cc1N 692241953 VNNYMORPNNDFKO-IINYFYTJSA-N 282.790 4.608 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CCOC1(C)C 693114394 ZOHZGCGBQPNKLZ-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H]2CCCC[C@@]2(C)O)CC1 699325873 ZMVFDRBQFNVZBD-HILOLKJVSA-N 277.452 4.674 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)CCC2CC2)C1 701116149 YZHHYNQBZBKXRP-DDBAPUKQSA-N 276.468 4.605 30 10 CJEE CCCCCCCN[C@@H](C)CCc1ccc(OC)cc1 703724401 VUYGWBPFZPFVSA-INIZCTEOSA-N 277.452 4.576 30 10 CJEE CCCCCCCCC[C@@](N)(COC)c1ccccc1 704414958 GFUBSFXURQZNON-GOSISDBHSA-N 277.452 4.628 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(Br)cc1 704909992 NFGWPIRRXYBQNP-UGFHNGPFSA-N 292.220 4.883 30 10 CJEE CCCCCCCCCN[C@@H]1CC[C@@H]2CCC[C@H]21 707849431 YPEBPDXXGQERON-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE CCCCCCCOC[C@@H](NC)c1ccc(Cl)cc1 709513908 HBZAIZMDSCPNAN-MRXNPFEDSA-N 283.843 4.588 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 710645794 PGYABDJAJLAGEW-ZNMIVQPWSA-N 283.887 4.960 30 10 CJEE Cc1ccc(N[C@]2(C#N)CC(C)(C)CC[C@@H]2C)cc1 713078854 RLEPCIHRUSSUCC-YOEHRIQHSA-N 256.393 4.516 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)C1CCC(C(C)C)CC1 715767051 ANTHYYOWRZJUSU-ZGRYLRDCSA-N 251.458 4.639 30 10 CJEE C#Cc1cccc(NCCc2cc(Cl)cc(Cl)c2)c1 722099946 LNWJSZYNZVQAIY-UHFFFAOYSA-N 290.193 4.629 30 10 CJEE Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1 723627242 XAUOWUYLJVLMEF-BFYDXBDKSA-N 268.404 4.638 30 10 CJEE N#Cc1ccc(N[C@@H](C2CCCCC2)C2CC2)cc1Cl 723843215 GJITWRGZSRNJAT-KRWDZBQOSA-N 288.822 4.982 30 10 CJEE C=C1CCC(C[C@H](N)CSc2ccc(C)cc2)CC1 724543529 FBGJRXMHADOWHB-INIZCTEOSA-N 275.461 4.551 30 10 CJEE C=C1CCC(COc2cccc(Cl)c2C)CC1 724573394 MJKBNVRYTIABCR-UHFFFAOYSA-N 250.769 4.774 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc(Cl)cc1 821219263 JWKWERBWIYJWRO-FBMGVBCBSA-N 273.763 4.671 30 10 CJEE C#C[C@H](NC(=O)[C@H](CCC)CC1CCCCC1)C(C)(C)C 1129616115 NUEXZHFWHFXJKC-SJORKVTESA-N 291.479 4.537 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CC2CCC1CC2 1190984165 IFOUYFDLUGNESL-NKELODKYSA-N 275.480 4.881 30 10 CJEE C=CCCCN(Cc1ccc(F)c(Cl)c1)CC(C)C 1196470937 WVKACVOVDFFZRB-UHFFFAOYSA-N 283.818 4.903 30 10 CJEE C=C(C)CCN[C@@H]1CCCC[C@H](c2ccccc2)C1 1202504925 LKTWGGXUEBNSHT-ZWKOTPCHSA-N 257.421 4.659 30 10 CJEE C=CC(C)(C)CCCNCc1csc(C(F)(F)F)c1 1203571451 HVZWAZYINGMAPY-UHFFFAOYSA-N 291.382 4.849 30 10 CJEE C=CCCCCCCCNC(=O)c1ccn(C(C)C)c1C 1274904345 JMWIOKRVPHPLOG-UHFFFAOYSA-N 290.451 4.634 30 10 CJEE C=CCC1(C(=O)N(CCC)Cc2ccc(C)cc2)CCCC1 1355741322 JNGSXTRQEJZSMA-UHFFFAOYSA-N 299.458 4.870 30 10 CJEE C=CCC(C)(C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 1355998256 RTXRUQONLHJUED-UHFFFAOYSA-N 298.430 4.838 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 1357585943 ALXRZKZQBPLPCF-WMZOPIPTSA-N 287.447 4.677 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1 1439077274 AVLGWFYFOZLMOU-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE C=C(CC)C(=O)N(CC(C)C)[C@@H](C)c1ccccc1C 1449370592 MQCHMTGZQLLGCF-INIZCTEOSA-N 273.420 4.507 30 10 CJEE C=CCC[C@H](C(=O)N1CCCCC[C@@H]1C)c1ccccc1 1459190184 YJLHZIUDNLEUGI-WMZOPIPTSA-N 285.431 4.528 30 10 CJEE C=CCOc1ccccc1CN[C@H]1CCC[C@H](C(C)C)C1 1461205806 WUJHKLHFYRFCNZ-WMZOPIPTSA-N 287.447 4.556 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1NC1CCCCC1 1471724418 QJUBCVOAYWCFFR-UHFFFAOYSA-N 286.419 4.726 30 10 CJEE C=CC[C@@H]1CCCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 1473628079 ZPINCPVXXLGHBV-HOJAQTOUSA-N 299.458 4.585 30 10 CJEE C=CC[C@H](CC)N[C@H](C)Cc1ccccc1SCC 1474478865 DBKMFFOPRXVTRJ-ZBFHGGJFSA-N 277.477 4.674 30 10 CJEE C=CCCC(C)(C)CNCCc1ccc(C(C)C)cc1 1474660928 XGFDHJVHVQIJEF-UHFFFAOYSA-N 273.464 4.935 30 10 CJEE C#Cc1ccc(N[C@H](CCC)[C@H]2CC2(C)C)c(Cl)c1 1474732100 VSQRXIWWJDCUPX-UKRRQHHQSA-N 275.823 4.948 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCCCCC)CCCC1 1477307791 UWQGWLGGFPWWRH-HNNXBMFYSA-N 280.456 4.533 30 10 CJEE C=CCOc1ccc(OC(=O)C[C@@H](CC)CCCC)cc1 1523569758 OLYCEBRZVDMARG-HNNXBMFYSA-N 290.403 4.763 30 10 CJEE C#Cc1cccc(CNC(=O)[C@H](C)CCCCCCCC)c1 1525410454 IKLSMQOEVIJANJ-QGZVFWFLSA-N 299.458 4.671 30 10 CJEE C=CCC1(C(=O)NCCC2=CCCCCC2)CCCC1 1528433379 ACVLLBFNDMXKLN-UHFFFAOYSA-N 275.436 4.520 30 10 CJEE C=CCCCCCN(C)C(=O)C/C=C/c1ccc(C)cc1 1530308691 FRILEBNWGFPLLT-MDZDMXLPSA-N 285.431 4.603 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](C)c1ccc(Cl)c(Cl)c1 1560206273 UNVLPTBXDYVQDU-CMPLNLGQSA-N 270.203 4.705 30 10 CJEE C#Cc1ccc(NCc2ccsc2Cl)c(Cl)c1 1560606819 DYDNNVMKWRIRPK-UHFFFAOYSA-N 282.195 4.648 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21 1586933592 XIDHJYVHOHHCCP-HOTGVXAUSA-N 299.458 4.837 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 1588298795 LLXSIAPKBXDXOH-JLHYYAGUSA-N 299.458 4.716 30 10 CJEE C=C[C@@H](OC(=O)C[C@@H](CC)C(C)(C)C)c1ccccc1 1617557289 RNQLXNILTXAVGS-HZPDHXFCSA-N 274.404 4.919 30 10 CJEE C=C(CC)C(=O)N(CC=C(C)C)Cc1ccc(Cl)cc1 1617647113 FNEOHXFDACNKHS-UHFFFAOYSA-N 291.822 4.601 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](CC)CCCCC)c(Cl)c1 1618186028 CGHFOTKJZFJFNP-AWEZNQCLSA-N 291.822 4.866 30 10 CJEE C=CCCC[C@@H](C)NCc1cc2ccnc(Cl)c2s1 1620875769 RFZNLOWXGLWLOF-LLVKDONJSA-N 294.851 4.784 30 10 CJEE C=CC(C)(C)CCCNCc1nc2ccccc2n1CCC 1621056010 NKPCMLXGHAUURF-UHFFFAOYSA-N 299.462 4.528 30 10 CJEE C=CCCCC[C@@H](C)NCc1c(Cl)cccc1OC 1621253218 PMYGASDONLFGKM-CYBMUJFWSA-N 281.827 4.573 30 10 CJEE C=CCC[C@H](CC)N[C@@H]1CCC[C@@H](C(C)C)CC1 1621271586 CQTJRLCEDQMESC-IXDOHACOSA-N 251.458 4.926 30 10 CJEE C=CCCCC[C@H](C)NCC[C@H]1CCCC1(F)F 1621497084 VGZQURPAUPEQDV-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCC[C@H](NC(=O)C1CC(C)(C)C1)c1ccccc1 1625196847 JUQCGWAHTWFIMH-KRWDZBQOSA-N 285.431 4.636 30 10 CJEE C=CCCCN(C1CCCC1)[C@@H](C)c1ccccc1 1643025625 CYIZFRXMWAMJKN-INIZCTEOSA-N 257.421 4.958 30 10 CJEE C=CCC[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ccccc1 1645079596 BEFWJGSSXDNPQY-ZWKOTPCHSA-N 287.447 4.631 30 10 CJEE C=CCCCCCCCNc1cc(C)nc(C2CC2)n1 1651121021 UOZKWDOXOZDNAX-UHFFFAOYSA-N 273.424 4.601 30 10 CJEE CC(C)CC[C@@H]1CC[C@@H](NCC(C)(C)CCC#N)C1 1651165419 IEMXUMDILRDGDJ-HZPDHXFCSA-N 264.457 4.511 30 10 CJEE C=C(C)CNc1nc(C)nc2sc(-c3ccccc3)cc12 1651769043 ARSPQHHVXKJUCC-UHFFFAOYSA-N 295.411 4.655 30 10 CJEE C=CCCCCS[C@H]1CCCN(Cc2ccccc2)C1 1652058334 JGKFCKHNGHXRBT-SFHVURJKSA-N 289.488 4.741 30 10 CJEE C=CCCC1(CNCC2=Cc3ccccc3OC2)CCCC1 1656622220 DTSUFHKJNYGJSC-UHFFFAOYSA-N 297.442 4.579 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(-c2ccccc2)cn1 1657924499 LMZUSGUPUQYCDH-QAPCUYQASA-N 280.415 4.754 30 10 CJEE C#C[C@H](NCc1cccc2ccoc12)c1ccc(Cl)cc1 1658240718 SRGRGWBBDKCHNZ-KRWDZBQOSA-N 295.769 4.550 30 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283.500 4.801 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1COC(C)(C)C1 2207374961 DRLHHEROLYUZKL-QGZVFWFLSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@]1(C)CCOC1 2207407069 BEQSXPUOYNRLLM-MSOLQXFVSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@H](NN)c1cccc(F)c1 2207437328 NVUZEXYSWWPNSC-QGZVFWFLSA-N 278.415 4.637 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cnn(CC)c1C 2207439044 VFSMPVKRONPDMT-KRWDZBQOSA-N 278.440 4.552 30 10 CJEE C=CCCCCCCCCC[C@H](NN)c1coc(C)c1 2207440055 CLEJJTUXRWARBF-KRWDZBQOSA-N 278.440 4.789 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)[C@@H]1CCCC(C)(C)C1 2207445022 AAJIIRYGIXHALC-HZPDHXFCSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCCC)c1cccs1 2207445589 BQNHYHRXRNAGQS-NVXWUHKLSA-N 297.508 4.900 30 10 CJEE CCCCCCCCCNC[C@]1(Cl)CC1(C)C 2216157915 XAUSVVHARAPIMU-OAHLLOKOSA-N 259.865 4.734 30 10 CJEE CCCCCCCC[C@@H]1CNCC[C@H]1C(F)(F)F 2221897322 KLIVYKHEZUFVCU-CHWSQXEVSA-N 265.363 4.525 30 10 CJEE CCCCCCCCOc1cccc(F)c1[C@H](C)O 2224208155 JJIIPOKICWUXAA-ZDUSSCGKSA-N 268.372 4.618 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCO[C@H](CCC)C1 2227287788 MVNLEOUPTPYLPX-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE CCCC1CCC(CNCCC#CC(C)(C)C)CC1 2230495699 WMVVEULQBUANHB-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE CC1=CCC[C@H](C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1=O 2230722805 TVLQMQWDSFFNOA-QBPKDAKJSA-N 260.421 4.908 30 10 CJEE CCCc1ccc(C#CC(=O)c2cc(Cl)cs2)cc1 2231226089 ONJTZYZDUNXBSR-UHFFFAOYSA-N 288.799 4.588 30 10 CJEE CCCCCCCC[C@@](C)(OC(CC)CC)C(=O)O 2231906656 RMKUOAPYFURKDQ-MRXNPFEDSA-N 272.429 4.786 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2233703471 NEIVSVYURXKPLC-IBEHDNSVSA-N 284.390 4.843 30 10 CJEE C=CCCCCCCCCOC[C@@H](NCC)[C@H](C)CC 2234042786 GMBCUHFDNSCMAG-QZTJIDSGSA-N 283.500 4.944 30 10 CJEE CN(CCCCCC1CC1)[C@H](CC#N)c1ccccc1 2234087070 ZNZDZSSCPHVXOW-GOSISDBHSA-N 270.420 4.544 30 10 CJEE CCCCCCCC[C@@H](NCC)c1nc(C)ccc1F 2237964102 MCRJBFHETDZMNM-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE CCCCCCCCCCOCC[C@H]1CNCC1(C)C 2238476713 FNZTUWSNXQQQJC-KRWDZBQOSA-N 283.500 4.779 30 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C=C[C@](N)(CCCC1=CCCCC1)c1ccccc1 2341074861 KKYQHLOFLZUMCX-SFHVURJKSA-N 255.405 4.697 30 10 CJEE C#CCCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341113967 WQSYJSTYGFKWCC-INIZCTEOSA-N 298.257 4.837 30 10 CJEE CC(C)(C)C#CCC(=O)CCc1cc(Cl)cc(Cl)c1 2341161937 JRNMFRVDUCINCI-UHFFFAOYSA-N 297.225 4.935 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCCC12CCC2 2342383169 RLCRPUWOMRIYOM-SOLBZPMBSA-N 260.421 4.742 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(C)ccc1C 2344341431 BSDPLSJOIGTUID-ZWKOTPCHSA-N 259.437 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@@H]2CCC[C@@H]2C1)NCC 2344342165 HTJYIZKJCDXQBV-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C)c(F)c1 2344342574 LAGYXMPRGCRXOM-DLBZAZTESA-N 263.400 4.777 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1ccccc1Cl)NCC 2344374397 HWTSCRNBDPMMSV-SJORKVTESA-N 279.855 4.853 30 10 CJEE CSc1cc(NCCCCCC2CC2)ccc1C#N 2353830659 DYZYJFZVTUIMJX-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@H]1CC[C@@H]2C[C@@H]2C1 2358322669 UBJSYVPZNQZGSF-XMTFNYHQSA-N 278.484 4.561 30 10 CJEE CC(=O)O/N=C(\C)C1CCCCCCCCCCC1 5370751 SRBKZNKTKRGWLL-SAPNQHFASA-N 267.413 4.846 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154910 HEGVJNSKDZGJNX-LALPHHSUSA-N 263.381 4.636 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2ccc3ccccc3c2)c1 37936711 JMLOUTDXAAHPRP-IBGZPJMESA-N 272.351 4.825 30 10 CJEE CC(C)Oc1ccc(N[C@H](CC#N)c2ccccc2)cc1 55016147 KBPQIDGNIBLZDL-GOSISDBHSA-N 280.371 4.541 30 10 CJEE N#C[C@H](CCOc1ccccc1Cl)c1ccccc1F 57686635 IYLZSSHNVFLWAU-LBPRGKRZSA-N 289.737 4.555 30 10 CJEE N#C[C@]1(Nc2ccccc2Cl)CCCc2sccc21 61329679 RZQPMCSCMHDAQY-OAHLLOKOSA-N 288.803 4.569 30 10 CJEE N#Cc1ccc(Oc2cc(F)ccc2F)cc1C(F)(F)F 71167745 RGTWTKBQYSQWSG-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE CC(C)n1nc(-c2cccc(F)c2)c2c1CCC[C@@H]2CC#N 82825883 UEDOXNLPBYIKSR-CYBMUJFWSA-N 297.377 4.604 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(CCCOc2ccccc2)C1 87996651 DKQBMFNHENPUDX-WBVHZDCISA-N 257.377 4.566 30 10 CJEE CC[C@@H](C)[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91878448 FRWHKWZYPZJBJY-CGBMDKKTSA-N 265.441 4.530 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)CCCC[C@@H]2CC)CC1 91886083 NBHWTXCEAQKSFA-IKJBURDNSA-N 277.452 4.818 30 10 CJEE Cc1cc(C)cc(N(C)c2ccc(C#N)cc2Cl)c1 104000203 KBYUXFQXRJHZHB-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CC(C)COc1ccc(CCCS)cc1C(C)(C)C 107592953 RWMKETZPOMYBBO-UHFFFAOYSA-N 280.477 4.881 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)[C@H](Nc1ccc(Cl)c(C#N)c1)C2 109807525 FUHGNHQLXUUNTL-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE N#CC1(NCC2CC2)CCCCCCCCCCC1 110029332 TUWYUSNIPFBEEV-UHFFFAOYSA-N 262.441 4.553 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCC(C)(C)CC2)C1 110265524 WFULNVLICXKDFN-YESZJQIVSA-N 290.495 4.853 30 10 CJEE C=C(C)C(=O)O[C@@H](CO)CCCCCCCCCCCC 111900212 DRSZLJIAYHKAOM-QGZVFWFLSA-N 298.467 4.778 30 10 CJEE CCCCCCCCCCn1nccc1CNCCC 112934052 XORYFGAATQCEHD-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE CCCCCCCn1ccc2c(CNCC)cccc21 114626720 ICAFTNLMOGYCHG-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@@H]1C 115237356 IXFCVTBMXCCPRE-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@H](CCC1CCCC1)NN 122233884 SLVANUCRXBVRHU-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2ccccc2s1 124792020 NCNSSRAVKKSRIZ-HNNXBMFYSA-N 271.429 4.746 30 10 CJEE CCCCc1ccc(Nc2cc(OC)ccc2C#N)cc1 130414223 JOELWDUYASSDMI-UHFFFAOYSA-N 280.371 4.653 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCOC2(CCC2)C1 130757794 NIBFHEHJWGPHAL-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE CC(C)c1ccc(Oc2cc(C#N)ccc2[C@@H](C)O)cc1 131676746 IXSVKJKQGYGEEJ-CYBMUJFWSA-N 281.355 4.527 30 10 CJEE Cc1cc(Nc2cc(Cl)ccc2Cl)ccc1C#N 133313354 UJYVXHIVZFALNO-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)nc2ccccc12 139627887 UAIVAWQXAUYXQG-KRWDZBQOSA-N 270.420 4.904 30 10 CJEE CCCCCCCCCC[C@H](N)c1cc(CC)nn1CC 143422069 FFMAXUBFRVBDTC-KRWDZBQOSA-N 293.499 4.996 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1CCSC1 143457742 IAOJDNOIQSHPQF-HUUCEWRRSA-N 257.487 4.598 30 10 CJEE CC1(C)CCCC[C@@]1(O)C1(C#N)CCCCCCC1 159013111 RTIIFGRGNBDJBK-KRWDZBQOSA-N 263.425 4.572 30 10 CJEE CCCCCCCCN[C@@H]1C[C@@H](OCC(C)C)C1(C)C 159185274 NLJLEQOJKXDPOU-IAGOWNOFSA-N 283.500 4.776 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(Cl)cc2F)C1 164666328 VDQODFKAIMAMCF-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCC[C@H](NCC)c1nccn1C 166124225 YBTXSPJFYQAJAJ-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE O=C(/C=C\c1cccc(Cl)c1)c1cccc(Cl)c1 205482217 DLOUSFCJLZEVQJ-FPLPWBNLSA-N 277.150 4.890 30 10 CJEE CCCCCCC[C@H](N)c1ccc2c(c1)C(C)(C)CO2 228525383 YPPLEBCIFKOBCC-INIZCTEOSA-N 275.436 4.717 30 10 CJEE CCCCCCC[C@@H]1C[C@H](O)c2cc(Cl)ccc2O1 229374704 PXMQOEQQFRAGSJ-HIFRSBDPSA-N 282.811 4.885 30 10 CJEE CCC[C@H](NCC(C)(C)CCC#N)c1cccs1 229693408 VWTHLKJRDSVEMK-ZDUSSCGKSA-N 264.438 4.509 30 10 CJEE CCCCCCCC(=O)CC(=O)c1csc(Cl)c1 232921064 UNTVHKQDPLWDHI-UHFFFAOYSA-N 286.824 4.904 30 10 CJEE CC[C@@H](C)CSc1ccc(CNC(C)(C)C)cc1C#N 233859016 PPBCUVYVKKMUSB-CYBMUJFWSA-N 290.476 4.585 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1csc(Cl)c1 235230225 QDQMUIBRSHLUJU-SECBINFHSA-N 294.782 4.894 30 10 CJEE CON=C(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 242701722 WMFTVONUUMZWGT-UHFFFAOYSA-N 299.317 4.804 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cccc2c1CCCC2=NO 252677165 UINUQWGVNDHHCP-GUYCJALGSA-N 287.403 4.549 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 253186292 IQKYZUQQCWZTTN-AIANPOQGSA-N 268.441 4.756 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](O)(CC)c2cccc(F)c2)C1 253228997 KZDCYQUOVQEPTR-OLMNPRSZSA-N 289.394 4.533 30 10 CJEE C[C@H](C#N)c1ccc2ccn(C3CCCCC3)c2c1 259916654 CTGFMUCAEUIQER-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CC(C)c1ccc(F)c(C2(C#N)CCCCC2)c1F 260435548 GOXKZDFQKTUSKL-UHFFFAOYSA-N 263.331 4.814 30 10 CJEE CC1(C)OB(/C=C2/CCCC23CCCCC3)OC1(C)C 306850808 PMSTXTMVVGCCEQ-YPKPFQOOSA-N 276.229 4.679 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 312806632 RJTZFDUWGDRBQS-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE C=C([C@H](NCC)c1ccc2ccccc2c1)C(F)(F)F 312823688 LMAUHOWEBJDIPY-HNNXBMFYSA-N 279.305 4.609 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)CCCCO1 315398552 GYIGDXAUBLWIEZ-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@H]2CCCC(F)(F)C2)C1 316674934 BCGFWLPTONTMGI-MCIONIFRSA-N 258.352 4.597 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(C)cc2Cl)C1 317371332 VYHAPAIFLOODTL-RHSMWYFYSA-N 278.823 4.976 30 10 CJEE C=C[C@@H](C)C1(CNCCC)CCC(CCC)CC1 318799433 RDSMPQCJQSJYBB-KLAILNCOSA-N 251.458 4.785 30 10 CJEE C=CC[C@@H](CC)Nc1ccnc2cc(Cl)ccc12 393749939 QIZLSWAZTKJNFY-GFCCVEGCSA-N 260.768 4.655 30 10 CJEE N#C[C@@H](CCC1CCCCC1)NC1CCCCCC1 395168675 YNPSFVNEWBUIFM-QGZVFWFLSA-N 262.441 4.551 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@@](C)(C(C)C)CS1 398520638 VVQMLZPAEZNVQD-MRXNPFEDSA-N 284.513 4.700 30 10 CJEE CCCCCCCC[C@H](O)[C@H](C)CC(F)(F)F 402981706 HBHFQCWIYJVECS-NEPJUHHUSA-N 254.336 4.686 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 421512925 XBIFEGZRLIBNBE-BBWFWOEESA-N 297.442 4.913 30 10 CJEE N#Cc1ccc(-c2cccc(Cl)c2Cl)cc1F 514261079 NRSUUIABJGTSHP-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C/C(=C\c1ccc(Cl)cc1)CNCC(C)(C)CCC#N 580597527 VZAREKACDIPTPM-SDNWHVSQSA-N 290.838 4.663 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(C)ccc1C(F)(F)F 622953369 FYPMDIYEEMTMIT-LLVKDONJSA-N 285.309 4.555 30 10 CJEE C#CCCCCCOc1ccc(C)cc1C(C)(C)C 686673950 PWMOQHMITRTHJM-UHFFFAOYSA-N 258.405 4.865 30 10 CJEE C#CCCCCC[C@@H](NC)[C@@H](CCC)CC(C)C 686696028 TUHVABWCSSJSHY-DLBZAZTESA-N 251.458 4.621 30 10 CJEE C=CCC1(NCc2ccccc2C(F)(F)F)CCCC1 690722549 KXJAUSPCRJVCGD-UHFFFAOYSA-N 283.337 4.684 30 10 CJEE C=C[C@](C)(CNC(C)C)CC(C)(C)C(F)(F)CC 691036963 FTVYLOQNQGHMFG-AWEZNQCLSA-N 261.400 4.638 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](CC)c1ccccc1 692264293 PDRWYNIGQJIGFQ-KBAYOESNSA-N 257.421 4.862 30 10 CJEE CC(C)(C#N)c1ccc(N[C@H]2CCC23CCCC3)cc1 694420195 SSDMVLWJSJYWJB-INIZCTEOSA-N 268.404 4.622 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](N)CC(C)(C)C1 694523473 FIUVSRVSKJIACF-JKSUJKDBSA-N 269.473 4.660 30 10 CJEE C=C(C)CC[C@H](NCCC)c1csc(C(C)C)n1 695381143 JWULQXFIGWAGSB-ZDUSSCGKSA-N 266.454 4.664 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCC12CCCC2 695684937 IHBSEZSFJDWRHA-OAHLLOKOSA-N 274.795 4.736 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1C#N)c1cc(F)cc(F)c1 695755341 BDFLIELJYSDJSM-VIFPVBQESA-N 292.716 4.663 30 10 CJEE CC1(C)CCC(C=O)(CCOC2CCCCC2)CC1 701397850 GRAHBNFMTFJDKG-UHFFFAOYSA-N 266.425 4.511 30 10 CJEE CCSc1cccc(N2CCC23CCCCC3)c1C#N 707337281 YQPAFHHSBFDODU-UHFFFAOYSA-N 286.444 4.583 30 10 CJEE C=CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1C 710731930 LJZZEXSJLAOOSV-UHFFFAOYSA-N 276.380 4.760 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1cscc1Cl 711528039 ICOVJQBLZFAOCM-CQSZACIVSA-N 283.868 4.882 30 10 CJEE C[C@H](CC1CCCC1)n1c(=S)[nH]c2c(C#N)cccc21 712520714 GDTPPWCLOPZYKV-LLVKDONJSA-N 285.416 4.712 30 10 CJEE C=C(C)C[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714396323 HQWANZCHFRXHRW-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C)cc1Br 715727353 YILOOIUOOOYJQS-IUODEOHRSA-N 296.252 4.620 30 10 CJEE CCCCCCCC[C@@H](NCC)c1cc(C)co1 716152937 KTCDSGWXRKDIQW-OAHLLOKOSA-N 251.414 4.989 30 10 CJEE N#Cc1sc2cc(C(F)(F)F)ccc2c1C(F)(F)F 725324903 ZCPHKVIBVUVVEA-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE CC/C(=N\OCc1ccccc1F)c1ccc(CC)cc1 821218523 WBFXGEKBASBYMC-CZIZESTLSA-N 285.362 4.719 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC1(F)F 821997347 SHHMOGUEFDAARM-ILXRZTDVSA-N 271.395 4.536 30 10 CJEE C=CCCC[C@@H](NCc1cnc(C2CC2)o1)c1ccccc1 883227850 ZQGMXLRSIRIBLP-GOSISDBHSA-N 296.414 4.739 30 10 CJEE C1C[C@@H]2[C@@H]3C[C@H](CC3=N/N=C3\C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)[C@H]2C1 1088588404 IPMPDKGHTLRJQQ-PELCLWSXSA-N 296.458 4.696 30 10 CJEE C=CCC[C@H](C(=O)N1C[C@H](CC)CC[C@H]1C)c1ccccc1 1131060823 IWXOCKIGBLLRQN-LMMKCTJWSA-N 299.458 4.774 30 10 CJEE C=CC1(CC(=O)N2Cc3ccccc3[C@H]2C)CCCCC1 1131427556 CMBSQYRIDKMHST-OAHLLOKOSA-N 283.415 4.616 30 10 CJEE C=CCC1(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 1135506101 UYGBJSMXTKLJKQ-DLBZAZTESA-N 289.463 4.552 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 1141445645 RNUNILHZZHXCAD-MRXNPFEDSA-N 291.822 4.606 30 10 CJEE C=CCCCCSc1nccn1-c1cc(C)ccc1C 1165266644 BYTXHFPSDYLFFI-UHFFFAOYSA-N 286.444 4.938 30 10 CJEE C#CCCCCCCN(Cc1ccccc1O)C1CCCC1 1167353463 JLPCBDQXWNXKCN-UHFFFAOYSA-N 299.458 4.721 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@H]1CCCC1(F)F 1207302953 WSDKXXOBTBDWGF-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=C[C@H](CC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccccc1 1265723701 AUASQXYFXCKOBJ-JFIYKMOQSA-N 299.458 4.677 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](C)c1cccc(Cl)c1F 1267373904 AVVPJNZWLLBAHZ-LLVKDONJSA-N 296.769 4.852 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C 1274904019 DRLLJIXMTFVUTM-HOTGVXAUSA-N 281.484 4.948 30 10 CJEE C=C[C@@H]1CCCCN1C[C@H](C)CSc1ccccc1C 1307732807 PWJSTWAAMJJGEO-DOTOQJQBSA-N 289.488 4.764 30 10 CJEE C=CCn1ncc2ccc(N[C@@H](C)CC3CCCC3)cc21 1308958213 DZPVFANPICMXDR-AWEZNQCLSA-N 283.419 4.603 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 1435223091 TWZITLRZPLJNKL-IAGOWNOFSA-N 299.458 4.979 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)C(CC(C)C)CC(C)C 1439851092 ZARSFHKRUJJMSR-QGZVFWFLSA-N 279.468 4.652 30 10 CJEE C=C1CCC(C(=O)O[C@H](C)c2cc(C)ccc2C)CC1 1458561586 PSUCIHCAXCFKSR-OAHLLOKOSA-N 272.388 4.654 30 10 CJEE C=C(CC)CN1CCC[C@@H]1c1ccccc1C(F)(F)F 1460684204 DFEOADKWYZJSTM-OAHLLOKOSA-N 283.337 4.809 30 10 CJEE C=CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)c(C)c2)C1 1462414818 QWWOJDWBEGMYRX-CQSZACIVSA-N 297.364 4.802 30 10 CJEE C=CCCC[C@@H](N[C@H](C)C1CCC1)c1ccccc1 1462545743 AZXMYBBWKZTFIP-CRAIPNDOSA-N 257.421 4.862 30 10 CJEE C=CC(C)(C)CCCNC[C@@H]1CCCC[C@H]1CC 1462562097 LDMDMSQUXCFRQA-CVEARBPZSA-N 251.458 4.785 30 10 CJEE C=C(C)CCN(C)c1ccccc1Oc1ccccc1 1473237055 RNDNPLDCBISNEP-UHFFFAOYSA-N 267.372 4.881 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 1560462617 QETDLBUWDUCOEE-QBIMZIAESA-N 273.395 4.538 30 10 CJEE C=C(C)c1cccc(N[C@H](C)C2CC(F)(F)C2)c1 1561039282 NXSKADKVMJUWPC-LLVKDONJSA-N 251.320 4.565 30 10 CJEE C=CC[C@@H](C)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1565760743 KGVMZBZXVYXILP-CQSZACIVSA-N 297.398 4.764 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 1621289190 GIAAETDOMCKBJX-WWGRRREGSA-N 265.828 4.776 30 10 CJEE 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4.697 30 10 CJEE CCCCCCCC[C@H](CSc1ccccc1F)NN 126912014 LYMVWXPZOKGPFT-CQSZACIVSA-N 298.471 4.500 30 10 CJEE Cc1cc(Cl)c(Nc2nccc(C)c2C#N)cc1Cl 128267840 HSNWAYNXAQFHKW-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Cl)c(Cl)c1 133243924 NUCCSWYJUIPCBI-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CC(C)(C)OC1(C)C 133251588 SWUTZSZOFFADSY-JKSUJKDBSA-N 283.500 4.919 30 10 CJEE N#Cc1ccc(CSc2cc3ccccc3[nH]2)c(Cl)c1 163435789 BMYDGLRRFALGBJ-UHFFFAOYSA-N 298.798 4.985 30 10 CJEE Cc1ccc(F)cc1Nc1ccc(C(F)(F)F)c(C#N)c1 164395677 LBXAANABPKYRAU-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1Cl 167278519 HSROKPIPCVMXEQ-GFCCVEGCSA-N 284.790 4.549 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CCC)CC[C@@H]1CNCCC 219488185 CNTLSVVSCYFEJL-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(OC)c2)C1 222246923 QUCZHBDDHPADCW-KEYYUXOJSA-N 289.444 4.896 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227473005 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PICHCOUFFSGLLE-AWEZNQCLSA-N 275.823 4.596 30 10 CJEE CO[C@@H]1CCC[C@](C#N)(CCCCC[C@@H]2C[C@@H]2C)C1 2269487116 XAFGMQLLODQMGI-YLFCFFPRSA-N 263.425 4.692 30 10 CJEE C=CCCCOC(=O)C1CCC(CCCCC)CC1 2269603893 ODNSCLPAKNFJSD-UHFFFAOYSA-N 266.425 4.883 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C(C)(C)OC(C)C 2271797407 KYRURXRXRNVOCT-INIZCTEOSA-N 269.473 4.695 30 10 CJEE CCC[C@@](C=O)(CC)CN(C)[C@@H](CC)CCC(C)C 2272071177 YWMJQVCULLUIHJ-IRXDYDNUSA-N 269.473 4.528 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C#N)CCO[C@@H](C)C1 2272284271 NOAPZUSLTBXGFE-ULQDDVLXSA-N 265.441 4.938 30 10 CJEE C=CCCCCCCCO[C@@H](C)CNCC(C)(C)C 2272468666 ZMZJNNIVNAJZNP-INIZCTEOSA-N 269.473 4.554 30 10 CJEE CCCCCCC[C@H](N)c1ccnc(C(C)(C)C)c1 2273553066 OBVAUMWMYBLOQC-HNNXBMFYSA-N 262.441 4.739 30 10 CJEE C[C@@](O)(C#CC1CCCCC1)c1cc(Cl)ccc1Cl 2274073360 SHGUFKLXYKPCBU-MRXNPFEDSA-N 297.225 4.785 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccc(C)s1 2276062748 BKYKDCGHFRYVJE-OAHLLOKOSA-N 283.481 4.824 30 10 CJEE C=CCC[C@@H](C)[C@](C)(CCCCCC)OCCCN 2276916548 PJYYBBDKXIELJL-SJORKVTESA-N 269.473 4.683 30 10 CJEE CCCCCCCC[C@](CC)(OCCN)[C@@H]1C[C@@H]1C 2277366072 QDBKVRVVRBADJQ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CC(C)(C)C 2278245784 WSOSTIGBGSLWGK-RDJZCZTQSA-N 271.489 4.642 30 10 CJEE CCCCCCCCCCCCN[C@@H](CN)CC(C)C 2279101359 IKRFGMKEDRRBBO-GOSISDBHSA-N 284.532 4.870 30 10 CJEE N[C@H](CC#CC1CCCCC1)C[C@H]1CCCCC12CC2 2279515516 GJBPZFOKXMYMRV-QZTJIDSGSA-N 273.464 4.648 30 10 CJEE CN(CC[C@H]1CCCC12CC2)c1ccc(Cl)cc1C#N 2281417686 DKKKAJDYFLWTTG-CQSZACIVSA-N 288.822 4.618 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C(C)(C)C1CCC1 2284171035 SACQLDDEBNHMGA-KRWDZBQOSA-N 275.480 4.787 30 10 CJEE C=C(C)CCCC[C@H](N)[C@](O)(CC)CC1CCCCC1 2287372194 JSWBAXUTOMKQDG-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=C(C)CCCC[C@H](NN)C1CC(C)(C)CC(C)(C)C1 2287464708 BWUPRLUAZMQSOU-INIZCTEOSA-N 280.500 4.807 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@]1(C)CC1(C)C 2288626608 PKANRHKYTSOAJP-QZTJIDSGSA-N 282.516 4.575 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@]12CCCC[C@@H]1CC2 2288992830 TXNMROKHQLLOED-CEXWTWQISA-N 275.480 4.909 30 10 CJEE N#C[C@]1(C[C@@]23CCCC[C@H]2CC3)CCOC12CCCC2 2289084582 NBISOAGTCAIHJB-YESZJQIVSA-N 273.420 4.590 30 10 CJEE CCCCCCCC[C@H](C[C@]12CCCC[C@@H]1CC2)NN 2289156804 NVFBGSZOSXDPIV-KZNAEPCWSA-N 280.500 4.929 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(CC2CC2)c1 2289758409 SGSFMEYCPBNVRX-SFHVURJKSA-N 274.452 4.504 30 10 CJEE CN[C@@H](CC#CC1CCCC1)C(C)(C)C1CCCCC1 2289859599 MPGGOHPASRJJBC-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCN[C@H]1C[C@H](CC#CC2CCCC2)CC(C)(C)C1 2289874161 KIGURSJGJLQXAN-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCNC[C@@]1(CC#CC2CCCC2)CCCC[C@@H]1C 2289925504 VUCBIEDRDWEMEV-HKUYNNGSSA-N 275.480 4.766 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)C2CC(C(C)(C)C)C2)C1 2289969665 UKLKZJFXQSPZJH-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE C=C1CCC(C[C@@H](CCCCC)OCCC(=O)O)CC1 2291447281 BYOSYIKFYQNKHE-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@](C)(CCC)OCCC(=O)O 2291815807 AXDWBYUENMQOGB-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@@](C)(OCCC(=O)O)C1CCCC1 2291892328 QYQHYIMUSWAKRC-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@]1(OCC(=O)O)CC[C@@H](CC)C1 2292416352 FMTYOAJUBOCADR-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCCC(C)(C)CC1 2293138388 KBDLOINWHFOSEB-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)c1cocc1C 2293436915 KUQUITKJHNRBQM-KRWDZBQOSA-N 281.440 4.745 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@]1(C)CC1(F)F 2294357880 VEXDFGONIJJSKD-GJZGRUSLSA-N 291.426 4.516 30 10 CJEE C=CCC[C@H](NCCC)c1ccc2cc(Cl)ccc2n1 2294968182 RODFHYUDJCHYFE-INIZCTEOSA-N 288.822 4.895 30 10 CJEE Fc1ccc(CCOCC2(CS)CCCCCC2)cc1 2295165919 GMKSAHRBPPTMIS-UHFFFAOYSA-N 296.451 4.655 30 10 CJEE C#Cc1ccc2[nH]cc(C(=O)CCCCCCC)c2c1 2295204143 BGOCIRQAVVLDJU-UHFFFAOYSA-N 267.372 4.692 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C(F)(F)F)[C@@H](C)O1 2295537497 ZUGMHYJBRUCPOF-HZSPNIEDSA-N 295.389 4.783 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC[C@H]1C[C@@H]1C 2295603106 JFVLQRMNWMVUOF-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE C#CCOCCCCCCCCCCCNC(C)(C)C 2296262082 QXKDYJDDFVSEKU-UHFFFAOYSA-N 281.484 4.535 30 10 CJEE CC(C)Sc1ccc(C(=O)C=Cc2cncs2)cc1 2301069989 QLPKPJFZWKKIAL-UHFFFAOYSA-N 289.425 4.540 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@](C)(CC)CC[C@@H]1N 2313638670 MUDLSDNPKKQQAJ-ARFHVFGLSA-N 267.482 4.537 30 10 CJEE CCCCCCCCCO[C@H](C)CCCCNC 2318022662 DLWDCWWQMVHVOI-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CC(C)(C)[C@@H](CS)COCCCC1=CCCCC1 2318485550 CPQGJNJYSAZOCX-OAHLLOKOSA-N 270.482 4.876 30 10 CJEE C=C1CC(N(C)CCCc2cc(Cl)cc(Cl)c2)C1 2318609935 LJTLTQTZAOMUQD-UHFFFAOYSA-N 284.230 4.576 30 10 CJEE N#C[C@]1(CCCCC(F)(F)C(F)(F)F)CCCS1 2319583393 KPILJNOLUNFQGJ-VIFPVBQESA-N 287.297 4.534 30 10 CJEE CCCCCCCCNCC[C@@H]1CC[C@@H]1C1CC1 2319775131 VAUGCWPEXBRRNT-DLBZAZTESA-N 251.458 4.763 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCC(C)(C)C1CC1)NC 2321114250 WDHMIUQTXVNLFK-NVXWUHKLSA-N 251.458 4.783 30 10 CJEE Cc1cc(Cl)c(C(=O)[C@H](C#N)CC(C)C)c(Cl)c1 2327868476 GAKVOLSENPOLDX-JTQLQIEISA-N 284.186 4.670 30 10 CJEE CC(=NOCc1cccc(Cl)c1)c1ccc(C)cc1C 2330459102 LLAOPCJMUYEABO-UHFFFAOYSA-N 287.790 4.898 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1NCC 2335104167 WQUPGRADQKRIFH-YHUYYLMFSA-N 283.525 4.877 30 10 CJEE CCCCCCCN(C)c1ccc(C)c(Cl)c1C=O 2335583414 YDMBIBHRDUAUMH-UHFFFAOYSA-N 281.827 4.868 30 10 CJEE Cc1c(C[C@]2(C#N)C[C@H](C)O[C@@H]2C)ccc(Cl)c1Cl 2338855327 ZRMSBAPMGAADSM-ISOBSLSZSA-N 298.213 4.552 30 10 CJEE C#CC[C@@H](CC(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 2340795264 ZNAFXCQVBSBFFJ-JTQLQIEISA-N 299.172 4.755 30 10 CJEE N#Cc1c(Cl)cccc1OCCCC1=CCCCC1 2340980595 BYYNOTHBUQKBDW-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE C=C1C[C@H]1[C@H](CC1C[C@H]2CCC[C@H](C1)C2)NCCC 2341893110 KXENZBMZXQVURY-ONIAQPFYSA-N 261.453 4.537 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@@H]2C(C)(C)C)c1C#N 2343164926 IMYBFPZEPGRQEV-GXTWGEPZSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NN 2343282732 GESXSGGBOBEVRG-OAGGEKHMSA-N 268.489 4.641 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cccc(C2CCC2)c1 2343809896 XCRKKZYARVHZQC-KSSFIOAISA-N 253.389 4.827 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC#CC1CCCC1)NCC 2344335648 BFSXCLGJOQMCKA-ZWKOTPCHSA-N 261.453 4.541 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2cccc(C)c2o1 2344346662 VFTYUOYRTUKOCX-MLGOLLRUSA-N 257.377 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccccc1C1CC1 2344351770 LFORZQHVUOBKJY-QZTJIDSGSA-N 257.421 4.817 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC2(C1)CC21CC1)NCCC 2344354593 AQPMHVVFVQRBAS-JBCIKUTRSA-N 261.453 4.537 30 10 CJEE C[C@@H]1C[C@H]1CCCCN(C)C[C@@](C)(CS)C(C)(C)C 2352077762 GGJURFQLRJYFQQ-INMHGKMJSA-N 285.541 4.727 30 10 CJEE CCCCCC#CC[C@H](C[C@@H]1CCC1(F)F)NCCC 2360410540 GOTHPTFJKULODV-JKSUJKDBSA-N 285.422 4.764 30 10 CJEE Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 293241 BBXVIJVRKLWFLO-RQZCQDPDSA-N 288.734 4.616 30 10 CJEE N#Cc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 35254948 ULRAWSRUCRWDDG-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@H](C)CC(C)(C)C1 37089259 AWMQRSSHFVMGJT-SMDDNHRTSA-N 274.383 4.633 30 10 CJEE N#C[C@H](Nc1ccccc1)c1c(Cl)cccc1Cl 37935383 WBYLPGPMGCEROD-ZDUSSCGKSA-N 277.154 4.670 30 10 CJEE N#C[C@@]1(Nc2ccccc2Cl)CCCCc2ccccc21 37938270 HBBADHKVXGBNSI-SFHVURJKSA-N 296.801 4.897 30 10 CJEE COc1ccccc1[C@H](C#N)CCCCOc1ccccc1 57690501 ZKNKCMLQQNIQQL-INIZCTEOSA-N 295.382 4.552 30 10 CJEE CCCCCCCO[C@H](C)C(=O)c1ccc(F)c(F)c1 59526206 IXYLCKICMDCWOH-GFCCVEGCSA-N 284.346 4.523 30 10 CJEE Cc1ccc2cccc(Oc3ccc(C#N)cc3Cl)c2n1 62794018 UWSUVYPZBBBVHT-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE Cc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)cc1F 62938272 UHGLLOXZRPMVKR-UHFFFAOYSA-N 294.354 4.796 30 10 CJEE C[C@@H]1CCC[C@@H](Sc2nc3ccccc3cc2C#N)C1 71390713 KNIJOMIRDKLWAQ-IUODEOHRSA-N 282.412 4.777 30 10 CJEE Cc1cc(Cl)cc2c(CS)c3c(nc12)CCCC3 82480327 UATPXXDADSKDEV-UHFFFAOYSA-N 277.820 4.505 30 10 CJEE CCC1(CC)CC(C#N)(c2ccc(F)cc2Cl)C1 86521077 UMEYCCGXUFLZPM-UHFFFAOYSA-N 265.759 4.841 30 10 CJEE CC[C@@H](C)SCc1nc(-c2cccc(C#N)c2)cs1 87140376 DYKZWEMQFJRJSL-LLVKDONJSA-N 288.441 4.713 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2c(F)cccc2Cl)C1 87930308 GFZRPCNMXYHAJR-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE Cc1ccc([C@@H](O)C2(C#N)CCC(C(C)(C)C)CC2)cc1 91882001 VROPEXYNMYVNSU-TVRKMHQQSA-N 285.431 4.775 30 10 CJEE CC1(C)CCCC[C@H]1Nc1cccc(OCCCC#N)c1 94278592 NFVGSHOZMGCZFV-QGZVFWFLSA-N 286.419 4.750 30 10 CJEE CCN(CC1(CS)CCCCCC1)c1ccc(F)cc1 94580514 DWTQOMVICGRMQP-UHFFFAOYSA-N 295.467 4.922 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCC1(CS)CCCCC1 94583631 KWKNVPVPGZHPTP-HUUCEWRRSA-N 270.482 4.852 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(C(F)(F)F)c1F 94598748 RPQCOEUOUHKHRC-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE CC[C@H](C)CN(C)CCCCCCCCCS 97799210 GKIJWXWAXWWERF-HNNXBMFYSA-N 259.503 4.625 30 10 CJEE CCCCCCC[C@H](C)NC1CCN(C(C)(C)C)CC1 103151210 BBXDTULZIPYVLN-INIZCTEOSA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccccc1OC 109706256 DQLDONGIYNMSKY-KRWDZBQOSA-N 263.425 4.620 30 10 CJEE CCCCCCCCO[C@H]1CCCCC[C@H]1NCC 110070258 GYHIRZNEQULHRD-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCc1ccccc1Nc1ccc(Cl)cc1C#N 110256184 ODOFPWWGEDSMFD-UHFFFAOYSA-N 270.763 4.908 30 10 CJEE C[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)c(C(F)(F)F)c1 110256548 FETNTTIMPDQKSJ-IAQYHMDHSA-N 296.336 4.592 30 10 CJEE CCCCCCCCn1cc(CCN)c2ccccc21 110278779 ZBTQCCWPKRKPBO-UHFFFAOYSA-N 272.436 4.503 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1C(=O)OC 110916982 ISCYOOBEOKAJBR-QGZVFWFLSA-N 297.483 4.545 30 10 CJEE CCCCCCCCN1C[C@@H](C)NC[C@@H]1C1CCCCC1 115219795 RSRBHCNYJWACSN-IEBWSBKVSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@](C)(CC)N(C)C 118153529 KUWWDRPFXIJFNX-ROUUACIJSA-N 284.532 4.836 30 10 CJEE CCCCCCCC[C@@H](NN)C1C2CC3CC(C2)CC1C3 122434518 MCFIRRIMVZOICM-OIAUPDTQSA-N 292.511 4.641 30 10 CJEE CCCCCCCCCCNc1ncccc1C#N 124830602 ZAIXVTRTRVSOEE-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE CC(C)C[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 126311497 CDOUKUYUAVIPQD-GOSISDBHSA-N 282.362 4.897 30 10 CJEE CC1(C)CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 132740783 CGDNTZWCGLVDPU-LBPRGKRZSA-N 282.309 4.568 30 10 CJEE C=C(C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 133264010 CAIUZQNGNWEHHH-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCC(=O)Oc1ccc2cc(C#N)ccc2c1 138703582 GMHUCCKAXOSGNS-UHFFFAOYSA-N 281.355 4.587 30 10 CJEE CCCCCCC[C@@H](NC)C1CCC(F)(F)CC1 139663501 YEDUXTKPMLKGOQ-CQSZACIVSA-N 261.400 4.760 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(C)c(OC)c1 159013446 WMTHKBPEFSUHSZ-INIZCTEOSA-N 263.425 4.754 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@H](C)CCSC 162614112 VSXAKPQNFQPSQC-CQSZACIVSA-N 291.570 4.576 30 10 CJEE C[C@](C#N)(CCCC(F)(F)F)Nc1cccc(Cl)c1 163592977 LBKZDWUZKFWDHY-GFCCVEGCSA-N 290.716 4.767 30 10 CJEE CCCCCCCCOCc1ccc(C#N)cc1C 165550816 JMFRHJNYIHREFI-UHFFFAOYSA-N 259.393 4.744 30 10 CJEE CCCCCCC[C@@H](CCc1ccc2c(c1)CCO2)NC 167341732 OISIOFLOJSZYKG-SFHVURJKSA-N 289.463 4.503 30 10 CJEE COc1ccc(C)cc1[C@H](C#N)C1CCCCCC1 167856012 GZFMMIOUXQMMDD-MRXNPFEDSA-N 257.377 4.581 30 10 CJEE CCCCCCCOc1cccc(Br)c1C#N 168623873 KUFUWFIOQAZMHP-UHFFFAOYSA-N 296.208 4.670 30 10 CJEE N#Cc1c(Br)cccc1SCC1CCCC1 169004748 ZSRQIAAAMKFNJY-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE CCCC(CCC)C(=O)[C@H](C#N)c1c(F)cccc1Cl 211864221 ZZZNGHNBJPAFBZ-GFCCVEGCSA-N 295.785 4.872 30 10 CJEE Cc1cccc(C)c1[C@H](O)C1(C#N)CCC(C(C)C)CC1 215607022 QTIKDSBUFGSMHX-AVAKVYKDSA-N 285.431 4.693 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1cccc(F)c1C#N 218374583 SSFCTFJJLJTYJG-AHIWAGSCSA-N 274.383 4.570 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCCCC2)C1 222205300 HWUQLYVHHKNDLN-KSZLIROESA-N 290.495 4.997 30 10 CJEE CCCCCCC[C@@H](N)Cc1ccc(F)c(Cl)c1 231089625 OHWLYKWJJFVJQY-CYBMUJFWSA-N 271.807 4.709 30 10 CJEE CCCCCCCCC[C@H]1OCC[C@@H]1CNCCC 232950410 NARKKBBSNKVZHP-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](N)c1nc(C)cs1 232990563 IEMUTVMRNRRURE-ZDUSSCGKSA-N 254.443 4.592 30 10 CJEE CCCOc1ccc(NCCCCC(C)(C)C#N)cc1 233243829 MZULJDOJPGJFEY-UHFFFAOYSA-N 274.408 4.607 30 10 CJEE C=CCCCCCNc1cc(Cl)ccc1OC 234846741 VWZGWTNDNDJEEP-UHFFFAOYSA-N 253.773 4.507 30 10 CJEE C=CCCCCCOc1c(Cl)cccc1/C=C/C(=O)O 236454032 SKWPDGOVJFYLAM-ZHACJKMWSA-N 294.778 4.563 30 10 CJEE CCCN(CC1CC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 249862032 AMURHKZLPVUDSI-OKZBNKHCSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@@H]1[C@H](C)CC 250804576 FHGDJZPTFLGEDF-QZTJIDSGSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1[C@H]2CCC[C@H]21 253014759 AANUVQOAYFYJNH-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 300277896 DRYLRRKMSTWFIE-FPSMNIFISA-N 281.484 4.551 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)CCc1ccc(Cl)cc1 308635199 CEVKTUJRUHPSSB-CZUORRHYSA-N 261.796 4.993 30 10 CJEE N#CC[C@@H]1CCC[C@@H](c2cc(Cl)cc(Cl)c2)O1 310420413 QMNCQIPZQIABOP-STQMWFEESA-N 270.159 4.517 30 10 CJEE CCCCCCCCC[C@@H](NCCC)c1cn[nH]c1 311679420 IZLHMXLRKKHPTB-MRXNPFEDSA-N 265.445 4.591 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(CC(C)C)cc1 311859438 QNLINULLBFOQIK-INIZCTEOSA-N 259.437 4.892 30 10 CJEE C=CC(C)(C)CNCc1ccc(-c2ccccc2)s1 384962753 NSNJAMIJIGCOKG-UHFFFAOYSA-N 271.429 4.717 30 10 CJEE C#CCCC[C@@H](NCCC)c1cccc2ccsc12 386159025 KLKWHXXAKQUXGE-MRXNPFEDSA-N 271.429 4.746 30 10 CJEE C=CC[C@H](CC)NC1c2ccccc2-c2ccccc21 393762111 MOITXXVPNDGMSO-AWEZNQCLSA-N 263.384 4.701 30 10 CJEE N#C[C@H](CSc1cccc(Cl)c1)C1CCCC1 397388278 XBDLBOOAGCOOEW-GFCCVEGCSA-N 265.809 4.762 30 10 CJEE CCCC1CCC(C#N)([C@@](O)(CC)[C@@H]2CC2(C)C)CC1 397586892 ATIINNYFFUXBCN-XPJGSDBHSA-N 277.452 4.674 30 10 CJEE Cc1cc([C@H](C)/N=C2/N[C@@](C)(C(C)C)CS2)c(C)s1 398550305 FQHJNOFWWRKJPM-XHDPSFHLSA-N 296.505 4.533 30 10 CJEE C=C[C@](C)(CNCC(C)C)C[C@H](CC)CC(F)(F)F 402557137 JRVQBBSNIZTCPO-KBPBESRZSA-N 279.390 4.793 30 10 CJEE CC[C@H]1CC[C@](C#N)(CCc2c(F)cccc2F)C1 402978863 GALGRDJHGNLTIC-LRDDRELGSA-N 263.331 4.617 30 10 CJEE CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1 512633646 AJVDQBYZEMDSHQ-AUUYWEPGSA-N 296.389 4.808 30 10 CJEE C#CCCCCC[C@@H](O)c1ccc(C(C)(C)C)cc1 686672748 AURGRIFMQMFWGD-QGZVFWFLSA-N 258.405 4.601 30 10 CJEE C#CCCCCC[C@H](NCC)[C@H]1CCC[C@@H](CC)C1 686679880 TUHKYIAWFZLQCC-SQNIBIBYSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCC[C@@H](CCCOCC)NN 689380775 JMKZVHQLAYYHGR-KRWDZBQOSA-N 286.504 4.556 30 10 CJEE Cc1cc(C#N)cnc1Sc1ccc(Cl)c(Cl)c1 690407011 ALWSVBVAAQKVHE-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCCSCC1 690579475 SJYSSFWCBPJFHB-CVEARBPZSA-N 271.514 4.858 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1ccc(CC#N)cc1 691132872 CNOIJNIFEMINOP-ZWKOTPCHSA-N 270.420 4.769 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)cc1 692272782 NJKQKTUHSSTJFA-UNEWFSDZSA-N 261.384 4.611 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1NCc1cccc(Cl)c1Cl 693720004 YLBIPCDAZITDRC-FZMZJTMJSA-N 297.229 4.555 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](CC)NC 695607479 FZZQZIAPSUJEAF-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@H]1CCCC[C@H]1C1CC1 695870144 GXJNVXIGLIJVQK-HOCLYGCPSA-N 288.822 4.617 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(F)cc(F)c3)C[C@@H](C1)C2 700406452 DDIOBHSEZVUFRG-ODOQXGPZSA-N 263.331 4.512 30 10 CJEE CCCCCCCCCC[C@@H](N)C[C@H]1CC1(F)F 701862477 IQHOKPWDAYBANH-UONOGXRCSA-N 261.400 4.890 30 10 CJEE C=CC[C@H]1CCCCN(c2cccc(Cl)c2[C@@H](C)N)C1 703691071 QHZURILVPYBFCX-KGLIPLIRSA-N 292.854 4.542 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccsc2C(F)(F)F)cc1 704318446 KSHKUNGFDVVOSV-GFCCVEGCSA-N 296.317 4.752 30 10 CJEE C[C@](O)(C1(C#N)CCCCCCC1)[C@]12CCCC[C@H]1C2 709198368 FXXAMFIVELWIFR-BQFCYCMXSA-N 275.436 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCSc2ccccc21 709358912 ZTXAPGAYXMESEQ-HYVNUMGLSA-N 287.472 4.948 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@H]2C[C@H]21 709422775 OTTXDUHWZBHCTB-HZMVEIRTSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CCC2(CCCC2)O1 709509501 OQXUBKYFONNNET-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE CCCCCCCN[C@@H](C1CCCC1)C1CCC1 711850006 ZDXJAQMOYBLQMT-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CCSc1cccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)c1C#N 712427264 AYWUBDYSVSUCAB-HEHGZKQESA-N 286.444 4.661 30 10 CJEE CCCCCCCCC[C@@]1(O)CCC[C@H](NCCC)C1 712775368 WDRXIRFWJTURLC-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cccc(Br)c1 715724662 KIELJDPXWCZDKU-WFASDCNBSA-N 296.252 4.702 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1Cl 715767921 FYLJYVIGAJEANB-CZUORRHYSA-N 265.828 4.901 30 10 CJEE C=CCCC(C)(C)n1c(S)nc2cc(F)c(Cl)cc21 717665084 DVLKTHLDJIFIFS-UHFFFAOYSA-N 298.814 4.819 30 10 CJEE CC[C@](C#N)(CCCSCC(C)(C)C(C)C)NC1CC1 718870735 VFIVRFAIEUTVRN-QGZVFWFLSA-N 296.524 4.606 30 10 CJEE CCCCCCCCO[C@H]1CCCCC(C)(C)[C@H]1NC 719227527 RXLVXHIVPANVPR-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE Cc1ccc(N[C@@H](C2CCCCC2)C2CC2)c(C#N)c1 723881207 MXHBJUWWEMTAHJ-SFHVURJKSA-N 268.404 4.638 30 10 CJEE C#CCCCSCc1cc(Cl)cc2cccnc12 766739463 UZSANGWWHKQIPY-UHFFFAOYSA-N 275.804 4.535 30 10 CJEE CCCCCCCCNC(=O)c1ccc(F)c(Cl)c1 1127273392 QBUGVRMKGGEPJO-UHFFFAOYSA-N 285.790 4.569 30 10 CJEE C#Cc1ccc(CNc2ccc(-c3ccco3)cc2F)cc1 1178566204 SPGUXMIAIUPRBO-UHFFFAOYSA-N 291.325 4.679 30 10 CJEE C=CCCN[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 1192663932 XYWHPJLFKOBEQG-CQSZACIVSA-N 285.362 4.845 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(C)cc1C 1197458830 OJJBPZMKQAUWFI-UHFFFAOYSA-N 274.408 4.561 30 10 CJEE CCCCCCC[C@H](C)NCc1ncccc1Cl 1258039476 REMBYUOMQKURIK-ZDUSSCGKSA-N 268.832 4.574 30 10 CJEE C=CCCN(c1ccccc1)[C@H](C)c1ccccc1 1307665799 DIJBBSDCNFAXSN-MRXNPFEDSA-N 251.373 4.830 30 10 CJEE C=CCC(F)(F)C(=O)Oc1ccc(Cl)c2ccccc12 1349983598 ABYAIPPYWUDRHV-UHFFFAOYSA-N 296.700 4.610 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 1357136441 GXVUNJJBXMNODF-YJBOKZPZSA-N 287.447 4.801 30 10 CJEE C=CCCCCNCc1ccccc1OCc1ccccc1 1461457558 RKDPDDKQOQQFQP-UHFFFAOYSA-N 295.426 4.712 30 10 CJEE C=C(C)[C@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 1462113442 QLLDWJRJEIKGGG-ZUXXIDCJSA-N 291.385 4.750 30 10 CJEE C#CCN(Cc1ccccc1)CC1CCC(C(C)C)CC1 1462220737 ZJJUZIXFTFQBLA-UHFFFAOYSA-N 283.459 4.584 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@H](C)CC1)c1ccc(Cl)cc1F 1462229309 ZZVDLXYDPMEQKF-JDFRZJQESA-N 293.813 4.712 30 10 CJEE C=C(CC)CN[C@H](C)[C@H](C)c1ccc(CC(C)C)cc1 1462341672 LPOUYYVPGROXNF-DLBZAZTESA-N 273.464 4.933 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3occc3s2)c1 1463256667 GYWQUYKSDZSTKB-UHFFFAOYSA-N 283.352 4.780 30 10 CJEE C=CCC[C@H](C(=O)N1CCC[C@](C)(CC)C1)c1ccccc1 1465405342 BHUYSZLERSKZSQ-ICSRJNTNSA-N 299.458 4.775 30 10 CJEE C=CCCCCCN(CC(=C)C)Cc1ccccc1 1473443850 KUJXJVAAXFEVLZ-UHFFFAOYSA-N 257.421 4.811 30 10 CJEE C=CCCCC[C@H](C)NCC1CCc2ccccc2CC1 1474643812 XLVCMTULKGHVHS-KRWDZBQOSA-N 285.475 4.906 30 10 CJEE C=C(C)c1cccc(N[C@@H]2C[C@H](OCC)C23CCCC3)c1 1474740429 NRCSVKGCOOXRFA-MSOLQXFVSA-N 285.431 4.869 30 10 CJEE C=C[C@H](OC(=O)C[C@H](C)c1ccccc1)c1ccccc1 1532001841 NDBAYRRRHCUVKX-YJBOKZPZSA-N 280.367 4.651 30 10 CJEE C=CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CC)c1ccccc1 1534344756 UPBNEYFVPHUQTH-JQHSSLGASA-N 285.431 4.636 30 10 CJEE C=C(C)c1cccc(Nc2ccc([N+](=O)[O-])c(C)c2)c1 1559297406 DCFUACOAHPQLCD-UHFFFAOYSA-N 268.316 4.680 30 10 CJEE C#CCCCCCCN1Cc2cc(C)ccc2CC1(C)C 1559860463 CDKDGSHZZJOVFR-UHFFFAOYSA-N 283.459 4.715 30 10 CJEE C=C(Br)CN(C)C[C@H](CC)CCCCCC 1560024048 VRNUMKOHUCKOFQ-CQSZACIVSA-N 290.289 4.823 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 1560944822 KFGZMZWWXXHVRU-ZWKOTPCHSA-N 271.448 4.590 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCCC[C@H]2CC)CCCCC1 1595726024 HNLKTJCHAJOGBF-SJORKVTESA-N 291.479 4.846 30 10 CJEE C=CCC1(NC(=O)C[C@@H](CC)CCCC)CCCC1 1617816742 UDMGFIDZEFWGHD-HNNXBMFYSA-N 265.441 4.598 30 10 CJEE C=C(CC(C)C)C(=O)N(CC)c1cccc(C(F)(F)F)c1 1638700369 LZLJLURJYQEOTO-UHFFFAOYSA-N 299.336 4.661 30 10 CJEE C=CC[C@@H](Cc1ccccc1)Nc1nc2cccc(C)c2o1 1640021794 QHYRGIBGWPOKKD-INIZCTEOSA-N 292.382 4.736 30 10 CJEE CCC[C@@H]1CCCC[C@H]1CNc1snc(Cl)c1C#N 1640028918 FISMXFOUGXNOIE-MNOVXSKESA-N 297.855 4.687 30 10 CJEE C=CC[C@H](C)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 1642671408 GUUKVYNVDBKKDQ-AVGNSLFASA-N 285.353 4.752 30 10 CJEE C#CCCCCCCN(Cc1ccccc1F)CC1CC1 1643873093 WXKREPBVFVIFQQ-UHFFFAOYSA-N 287.422 4.621 30 10 CJEE C=CC[C@@H](C)N[C@H](c1ccc(CCC)cc1)C(C)C 1644998795 BHVFYCHJNYKZGU-QAPCUYQASA-N 259.437 4.890 30 10 CJEE C#CCC1(NCc2cccc(Cl)c2Cl)CCCCC1 1648417947 BSTMSXHCYDBOCM-UHFFFAOYSA-N 296.241 4.809 30 10 CJEE C#CCCCCCCSc1nc2ccc(C)cc2[nH]1 1652439017 XTRJQXLJTQYDBB-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CCCN1CCCCC[C@@H]1/C=C\c1ccccc1 1652896062 JYASBQVZHZZNLR-SWNWVQGVSA-N 255.405 4.521 30 10 CJEE C=CCCCCCSCc1cc(C)ccc1OC 1656381900 MHGHAWQFNWLMIS-UHFFFAOYSA-N 264.434 4.983 30 10 CJEE C=CCCCCNCc1ccc(-c2ccccc2OC)cc1 1657837165 ZFNSUVNRHXMZGO-UHFFFAOYSA-N 295.426 4.808 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 1658065857 JVGLZPIYHXNDBQ-UGQVUOCMSA-N 291.385 4.545 30 10 CJEE C=CC[C@@H]1N(Cc2cc(O)ccc2Cl)CCCC1(C)C 1658465928 DFBDOVIHMOLQMQ-INIZCTEOSA-N 293.838 4.612 30 10 CJEE C=CCCCCCCN[C@H](C)[C@@H]1C[C@H]1c1cccs1 1659165054 GMFAMLCXTPEJRW-OWCLPIDISA-N 277.477 4.966 30 10 CJEE C#C[C@H](NC[C@H]1CCC[C@H](C)C1)c1ccc(Cl)cc1F 1659187074 GZWXETIVXKAYJB-DCGLDWPTSA-N 293.813 4.569 30 10 CJEE C#Cc1ccc(NC[C@@H]2CCC[C@@H](CC)C2)c(Cl)c1 1660811303 USLHFLDAINVSTH-UKRRQHHQSA-N 275.823 4.950 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 1664788481 FAWSWWUMDWGXDK-GDBMZVCRSA-N 298.430 4.892 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](c2cccnc2)C1 1665222257 ASJGWIUKMSNZAY-UMGGQSCQSA-N 298.474 4.832 30 10 CJEE CC(C)c1ccc(O)c(Nc2nccc(C(C)C)c2C#N)c1 1859863430 GZKOHUGWBLOHQZ-UHFFFAOYSA-N 295.386 4.649 30 10 CJEE Cc1ccc(C#N)c(Oc2cc(C)c(Cl)cc2C)c1 1878892829 NYSOEJITPMMXHS-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CC#CCCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1 1885238258 TVNAQLAXKUOIPM-SJLPKXTDSA-N 264.453 4.928 30 10 CJEE CCCCCCCN(C)[C@](CC)(CN)CCCCC 1887144310 KVEYZXIQRKISLS-KRWDZBQOSA-N 270.505 4.576 30 10 CJEE C#CC[C@H](CC(=O)c1cc2ccccc2s1)C1CC1 1887406454 FDGIWYQVRINCPP-CYBMUJFWSA-N 268.381 4.524 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNCCC)CCCC(C)(C)C1 1887465687 VWMITFUZVNYESU-WMZOPIPTSA-N 263.469 4.622 30 10 CJEE C#C[C@@H]1CCCCN1Cc1sc2ccccc2c1Cl 1888119158 WCNRRUXBVWKRIV-GFCCVEGCSA-N 289.831 4.542 30 10 CJEE C=C(c1ccccc1)[C@@H](O)c1ccc(C(C)C)cc1 1888702021 TZDWBTRPTPHPOI-GOSISDBHSA-N 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CC(C)C(CCn1ccc2ccc(C#N)cc21)C(C)C 2189297659 QBKSDBNHSBSUJU-UHFFFAOYSA-N 268.404 4.831 30 10 CJEE N#C[C@]1(CCC2CCCCC2)CCOC12CCCCC2 2190621950 OUQHJARSTAZLGL-KRWDZBQOSA-N 275.436 4.980 30 10 CJEE C=C(CN1CCCC[C@H]1c1cccs1)c1ccccc1 2195510139 WROWZWICNTXBJZ-KRWDZBQOSA-N 283.440 4.989 30 10 CJEE CC#CCCCC[C@@H](CC12CCC(CC1)C2)NCCC 2196171063 FVMFDQGXMBNMDE-XBMUEBEBSA-N 275.480 4.909 30 10 CJEE C=CCCCCCC(=O)[C@](C)(O)C1CCC(CC)CC1 2196596971 DFNPIBIXAOERJF-LEOMRAHMSA-N 280.452 4.659 30 10 CJEE CCCCCCCN(C)[C@@H](CN)c1ccc(C)cc1Cl 2196732754 AZYNPQNMNPBQAA-KRWDZBQOSA-N 296.886 4.550 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)[C@H]1CCCC(F)(F)CC1 2196847634 HKDPWBNWRBQNRF-JYJNAYRXSA-N 285.422 4.620 30 10 CJEE C#CC[C@H](C[C@@H](NCC)[C@H]1CC[C@H](CC)CC1)C1CC1 2196857948 YBMXWXZHRNZJLU-NXWXRZEISA-N 275.480 4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H]1CC[C@H](CC)CC1 2197140127 PWJFZRKEQMDPBW-BHIYHBOVSA-N 271.448 4.894 30 10 CJEE C=C(c1ccccc1)[C@H](N)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2197140426 TULWOUGONZPQMX-OKYOBFRVSA-N 269.432 4.634 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@H]1[C@H]2CCCC[C@H]21 2197152979 BZSCPTGNDQZKPM-RDGPPVDQSA-N 269.432 4.504 30 10 CJEE C=C(c1ccccc1)[C@H](CC[C@@H]1CC1(C)C)NCCC 2197155789 SVJUUMCWFSOLFR-MSOLQXFVSA-N 271.448 4.894 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 2200124044 ZPEVXPNYIUSLHU-JCGIZDLHSA-N 268.400 4.742 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 2201125333 ODOJVHOAXWCHNJ-IIAWOOMASA-N 288.822 4.982 30 10 CJEE CCCCCC#CC[C@H](NCC)c1cccc(C)c1F 2203784508 CHUNFFCMBSNKGJ-KRWDZBQOSA-N 275.411 4.759 30 10 CJEE C=CCCCCCC[C@H](NN)C1CC2(C1)CC(C)(C)C2 2206892647 SSXODBBHPACMDK-INIZCTEOSA-N 278.484 4.561 30 10 CJEE C=CCCCCCC[C@@H](O)c1cc(Cl)c2c(c1)OCO2 2206988548 DTUJDZAGJJJSQT-CQSZACIVSA-N 296.794 4.629 30 10 CJEE C=CCCCCCCCCN(C)C[C@@H]1C(F)(F)C12CC2 2207377077 ZOAJVMQUXMFQSB-HNNXBMFYSA-N 285.422 4.880 30 10 CJEE C=CCCCCCCCCN(CCC#N)CC1CCC1 2207380025 VGGVXQBRJKQKQU-UHFFFAOYSA-N 276.468 4.919 30 10 CJEE C=CCCCCCCCCCN1CCC[C@@H](OCC)C1 2207384270 HOCFLQBYFQXIBS-GOSISDBHSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H]1CC2(CCC2)CO1 2207416814 YURZPHGPIHFWLV-DLBZAZTESA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1cncn1CCC 2207428300 WYBPIAKKZUHKKY-MRXNPFEDSA-N 277.456 4.600 30 10 CJEE C=CCCCCCCCC[C@]1(N)CO[C@H](C(C)(C)C)C1 2207434282 CECICRBCOOMDCW-FUHWJXTLSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@@H](N)c1ncc(F)cc1F 2207435365 INNMPXVAYLSXJR-OAHLLOKOSA-N 282.378 4.666 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H]1CCSC1 2220081455 GDKLFGZAVZUUCR-JKSUJKDBSA-N 269.498 4.634 30 10 CJEE C=CCCCCCCC[C@](C)(N)[C@@H]1CCCSC1 2220085976 DGGXMZHYACPUSO-CVEARBPZSA-N 269.498 4.764 30 10 CJEE C=CCCCCCCCNCc1sccc1CC 2220093034 PDUWEZMQTUASQH-UHFFFAOYSA-N 265.466 4.927 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(OC)s1 2220095929 AUGDOYHCXVLNPZ-UHFFFAOYSA-N 266.406 4.856 30 10 CJEE C=CCCCCCCC[C@H](O)C[C@H]1C[C@H]1C1CC1 2220096687 HOCSNLRJXLMTSJ-ULQDDVLXSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCN(C)C[C@@H](F)C1CCC1 2220897581 UZTGUFOOJAVDEP-MRXNPFEDSA-N 255.421 4.583 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@H]2C[C@@H]1C2 2222318302 SUDDCWBLMBNEDZ-TWMKSMIVSA-N 251.458 4.761 30 10 CJEE C=C[C@H](C)C[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2222972593 NKYWKEDLJKXTSC-BIVLZKPYSA-N 250.426 4.556 30 10 CJEE CCCCCCCCCCCCO[C@H](C)[C@@H](C)O 2223242519 QSLGIDXTFCWNCR-HZPDHXFCSA-N 258.446 4.693 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)c(Cl)cn1 2223873577 KNVDZDJOMCKOSZ-OAHLLOKOSA-N 269.816 4.827 30 10 CJEE CCC(C=O)(CC)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2225352016 GJEPUEAUFMJEMC-AGUYFDCRSA-N 272.379 4.843 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1CCC[C@H](CC)CC1 2225433404 IGVIAKLLKWCDCY-KSZLIROESA-N 263.469 4.765 30 10 CJEE CCCCCCCCOc1c(C)sc(CNC)c1C 2226516031 QNMGLIJCADWUKI-UHFFFAOYSA-N 283.481 4.824 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC[C@H](OC)CC1 2227265659 MVWDNXAWIURKPZ-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE C=CCCCCCCC[C@@]1(N)CCC[C@@H](OC)CC1 2227269576 BBDLCRYVUUAMDF-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H]1Cc2ccccc21 2227271958 MVUOUAKNLIOIRY-ZWKOTPCHSA-N 258.405 4.604 30 10 CJEE C=CCCCCCCC[C@@](C)(N)C(F)(F)C(F)(F)F 2227275867 ZCYFZDCHEAAOFZ-LLVKDONJSA-N 287.316 4.818 30 10 CJEE C=CCCCCCCC[C@@H](NN)C(C(C)C)C(C)C 2227283025 DCTCFJRTWWEEEO-MRXNPFEDSA-N 268.489 4.663 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@]1(C)CC1(F)F 2227284168 AUYUMSIQCORHNY-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE CCCCCC#CC[C@@H](NC)[C@]1(C)CC=C(C)CC1 2229042292 JTVIZWPRKDHIRA-QZTJIDSGSA-N 261.453 4.685 30 10 CJEE C=CC[C@H](C[C@@H]1CC[C@H]2CCCC[C@H]2C1)NCCC 2230651033 DAELTZRTBQGOIS-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCOC[C@H]1CC[C@H](CN)C1 2231028441 QZMNUYQHCQFCDW-IRXDYDNUSA-N 269.473 4.519 30 10 CJEE CC=CCCCC(=O)[C@@](C)(O)CCCCCCCC 2231926842 ZKMPCSRLDPCWJN-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE CCCCCCCCCCC[C@H](O)c1ncc(F)cn1 2233069936 KBDZCYMIFCLTQD-HNNXBMFYSA-N 282.403 4.570 30 10 CJEE C=C([C@H](NCCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(F)(F)F 2233650823 SITDFDSMWMWYQG-YJNKXOJESA-N 289.385 4.690 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC2(CC[C@H]1O)CC2 2234049424 WJJQEMLIPQOYQA-IAGOWNOFSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCNCC(C)C 2234051089 LYIQSLQUPYCJTR-SFHVURJKSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@H](O)CC[C@H](CCC)CCN 2235536803 YAITVGGPGPKXNK-ROUUACIJSA-N 283.500 4.809 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(O)[C@@]2(C#N)CCCC2(C)C)c1 2237905275 PSVHOHIRUGNERT-IAGOWNOFSA-N 291.822 4.576 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](NCC)[C@]1(C)CC 2239493277 RHLZORGNNBRVME-KSZLIROESA-N 283.500 4.920 30 10 CJEE C=CCC[C@H](C)Oc1cccc(CNC2CCC2)c1Cl 2240245628 UEAINHNCECOQAN-ZDUSSCGKSA-N 293.838 4.716 30 10 CJEE C=CC[C@](C)(NCc1ccc(C2CCC2)cc1)C(F)F 2240367210 FLGUIZZRADMEEJ-KRWDZBQOSA-N 279.374 4.644 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](CO)C1CCCCC1 2240658236 QBBZKZFIGKKZBV-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CC(C)(C)C1CC([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2242248708 NQTPRHKDVOAUSR-NWINJMCUSA-N 278.245 4.541 30 10 CJEE C=C(C)CCCCOc1cc(F)ccc1Br 2244628346 DVGPRGADRPMVRQ-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE CCCCCCC[C@](C)(N)c1csc(C)c1C 2246420194 FLSHLQTVRBOQHF-HNNXBMFYSA-N 253.455 4.899 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)C(C)C 2247671691 SYRVSYJVZLNANS-SNVBAGLBSA-N 271.191 4.510 30 10 CJEE C=CCCSc1ccc([C@@H](C)NCC)c(Cl)c1 2250022003 TXOSLUAKAVYGED-LLVKDONJSA-N 269.841 4.679 30 10 CJEE C=C(C)CCCCC(=O)CC(C)(C)C(F)(F)F 2250186030 VFBSBMIZWICXBJ-UHFFFAOYSA-N 250.304 4.671 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2251430954 VOYUYLLZDBSHEU-NSHDSACASA-N 289.227 4.672 30 10 CJEE C=CCCCCC[C@H](O)C[C@H]1CCCCC12CC2 2253806258 ZLDHOIBIXSOTSA-CVEARBPZSA-N 250.426 4.844 30 10 CJEE Cc1cc(Cl)ccc1OCC=CC#CC(C)(C)C 2256681970 SNABDQPEYSPIOB-UHFFFAOYSA-N 262.780 4.633 30 10 CJEE C=C(C)CCCCOc1c(Cl)cc(Cl)cc1CO 2259191726 XHJZDPBKNVUEEN-UHFFFAOYSA-N 289.202 4.611 30 10 CJEE C=C(C)CCCC[C@@H]1C[C@@H](CC)CC[C@H]1NCC 2259210741 IPYCZTHLLIAOKN-GVDBMIGSSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)CC)OCCN 2262523722 JOKIOXCLKVJIPD-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE SCCCCCCCOC[C@H]1C[C@@H]1C1CCCC1 2263156199 XCWMGDNEELRPJB-HZPDHXFCSA-N 270.482 4.710 30 10 CJEE CCCCCCCCC[C@](C)(N)C1C[C@H]2C[C@@H]2C1 2263660503 IJEBNPLTUWOPBC-INMHGKMJSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@H](Cc1cnsc1)NCC 2264360433 SNOLWPXUNUUEFL-MRXNPFEDSA-N 282.497 4.804 30 10 CJEE CC(C)(C#N)CCCOCC[C@@H]1CCCCC12CC2 2264870053 CJDXUJJRVYWSKU-HNNXBMFYSA-N 263.425 4.693 30 10 CJEE CC[C@@]12CC[C@@](CCC=CC#CC(C)(C)C)(CO1)C2 2268768655 TXBPTUOZLWZXLH-MSOLQXFVSA-N 260.421 4.722 30 10 CJEE C=CCCCCCCCSCc1cccc(NC)n1 2271593008 ZDOSLGIMHRGBLX-UHFFFAOYSA-N 278.465 4.883 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc2c(c1)CCCC2 2271842265 UTFLWVGEGZUBFW-GOSISDBHSA-N 257.421 4.702 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C1CCC1 2276458830 XZTGQVVOARKZTG-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)C=CCCC1 2276607005 ZYAFEGGHQYOQLZ-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCC[C@H](OCCCN)C1(C)CCCC1 2276775104 YZYPZOOLLRVGLB-INIZCTEOSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H]1CC1(C)C 2277152871 NWNVSMNCTWRDLI-HZPDHXFCSA-N 269.473 4.517 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccsc1C#N 2277464392 YOPYBZJBFRBOHB-SNPRPXQTSA-N 277.433 4.597 30 10 CJEE CCCCCCCCC[C@@](C)(CNCC)OC(C)C 2278127363 NBUJTFJRXQKETM-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](CC(C)C)NC 2278233430 DEKWYEQYISZMPD-SJORKVTESA-N 271.489 4.512 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](CC)NC(=O)[C@@H]1C 2278248038 QBCFDVKAVRWSMU-UXLLHSPISA-N 267.457 4.678 30 10 CJEE C=CC[C@](C)(NCc1ccc(CCC)cc1)C(F)(F)F 2283490817 QYGRQZWHPKYKHF-HNNXBMFYSA-N 285.353 4.626 30 10 CJEE CSc1ccc([C@](C)(O)CC=CC#CC(C)(C)C)cc1 2284071988 ZLBMFCHMVSUEBJ-GOSISDBHSA-N 288.456 4.612 30 10 CJEE CC1CCC2(CC1)CC(NCC=CC#CC(C)(C)C)C2 2284115223 GOLPVPRRKVEOSL-UHFFFAOYSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCSc1cccnc1C[C@@H](C)N 2287090689 RSJLRJGMKDTYAI-OAHLLOKOSA-N 292.492 4.590 30 10 CJEE C=CCCCCCCCSc1ccncc1C[C@@H](C)N 2287096548 MEZUSVHJMUXDSR-OAHLLOKOSA-N 292.492 4.590 30 10 CJEE C=CCCCCCCCC(=O)CNCC1CCCCC1 2288112183 MLGSFWTVTUJPCT-UHFFFAOYSA-N 279.468 4.642 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)Cc1cccc(C(C)(C)C)c1 2290289573 NONBRLKCEHJPSL-KXBFYZLASA-N 272.432 4.922 30 10 CJEE C=CCCCCCCC[C@](CC)(OCC(=O)O)C(C)C 2291808775 NXWPERPUVCTSNH-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCC[C@H](CC)C1 2292765825 FDTZOKMQNQVTHY-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCC(C)(C)C1 2292766943 HRLKMDPELXGQHO-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](OCCN)C1CC2(CCC2)C1 2293414938 ZEQYJRSWIKNINT-KRWDZBQOSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@@H](OCCN)C1CCC(C)(C)CC1 2293881400 IKMPMSORTRGQMQ-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCCCC12CCCC2 2294061017 ZWNAJNCMLPUFDN-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCC(C)(C)C[C@@H]1C 2294231138 ONMCVNHKYBJZIW-XYJFISCASA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC12CCC2 2294567583 HSOIAMJGUUUCOQ-SFHVURJKSA-N 281.484 4.805 30 10 CJEE C#Cc1ccc2c(ccn2[C@@H]2CCC3(CCCC3)C2)c1 2295165841 DECXHNACHRVISC-QGZVFWFLSA-N 263.384 4.908 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)CCCCC 2295522324 MOUSBEADOGAWBZ-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cnn(CC)c1 2295677161 ROHVRTAIWVXRND-MRXNPFEDSA-N 279.472 4.522 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CC1CC=CC1 2295677288 SCXKWVXYFAAXQM-ROUUACIJSA-N 281.484 4.562 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1cc(OC)ns1 2295681158 DUMBXPYYOWRNJN-CQSZACIVSA-N 298.496 4.771 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1C[C@@H](C)C[C@@](C#N)(NC)C1 2295712157 VCDQFJFMWGCVIH-YYIAUSFCSA-N 296.524 4.606 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1ncc(Cl)cc1Cl 2300182232 CUXANAJOGSFOGF-CABZTGNLSA-N 271.191 4.545 30 10 CJEE C=C(C(=O)c1cc(F)c(Cl)cc1Cl)[Si](C)(C)C 2306250343 ZRGMYXVJEAJXRF-UHFFFAOYSA-N 291.225 4.749 30 10 CJEE C=CC[C@H](C)SC[C@H](NCC)c1cccc(Cl)c1 2313525976 BVPXXTVTTWLAEF-WFASDCNBSA-N 283.868 4.688 30 10 CJEE CCCC1CCC(C=O)([C@H](C)CC2CCC2)CC1 2313671585 CCELANUDQUCLAB-HPUBIQBYSA-N 250.426 4.988 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1CC(CC(C)(C)C)C1 2316753546 ZTKVBXFNXWTQQQ-AVVWSFFYSA-N 250.426 4.578 30 10 CJEE C=CCC(C)(C)[C@@H](CCC[C@@H]1CC1(C)C)NCC 2321114079 UVUUNYKXWUSUGV-HUUCEWRRSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)CC1(C(C)(F)F)CCC1 2321118917 WGAFLJKCIYDPIP-QWHCGFSZSA-N 259.384 4.522 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H](C)[C@H](C)C(C)C 2321132533 ZMEVJUOJAQIUKI-BZUAXINKSA-N 253.474 4.885 30 10 CJEE CCCCCCC[C@]1(F)C[C@H]2CC[C@H]1C[C@@]2(C)N 2327841508 ZWVRQMFRVQIZLI-QXSJWSMHSA-N 255.421 4.593 30 10 CJEE CC(C)C[C@H](CS)COc1ccc(C(C)C)cc1 2328520468 FMWZQLIILWCAJD-AWEZNQCLSA-N 266.450 4.781 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333961136 XZPRNTZLSAXTKF-UGDFAFBOSA-N 263.469 4.760 30 10 CJEE C=CCC(CC=C)OC[C@H](NCC)c1ccc(Cl)s1 2335105343 DHQJVLJBILXSPI-ZDUSSCGKSA-N 299.867 4.590 30 10 CJEE C=CCC(CC=C)N[C@@H](CC)c1ccc(CC)cc1 2335203135 JEMDPFMPCWBULD-SFHVURJKSA-N 257.421 4.811 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1[C@H](C)NCCC 2335239809 XJPWCTCNIAXHGW-STQMWFEESA-N 281.440 4.943 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(F)c1CNCCC 2335243943 CDKPCQUQMNHXGX-LLVKDONJSA-N 285.403 4.521 30 10 CJEE C=CCCCCCC[C@@H](C[C@H]1CCC1(F)F)NCC 2335420735 YNFIKLCZGOCGMK-CABCVRRESA-N 273.411 4.927 30 10 CJEE CCC[C@H](CS)COc1ccc(CC(F)(F)F)cc1 2336801321 HZRAETMFKONFAY-LBPRGKRZSA-N 292.366 4.516 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCC[C@H]1CCCCC12CC2 2337069103 KMDFCRRMLCCSAI-ZACQAIPSSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)CCC(CC)CC 2338129327 SMFCELNJMLSQOY-IRXDYDNUSA-N 271.489 4.642 30 10 CJEE C=CCC(CC=C)[C@]1(CNC(C)C)C[C@H]2CC[C@H]1C2 2338728001 PQJSATYEOLJADT-RYQLBKOJSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)Sc1ccc(C=O)c(C2CC2)c1 2339144813 BWLHOBPNHJKUON-UHFFFAOYSA-N 272.413 4.989 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(F)c(C)c2Cl)C1 2339183349 NUZIOKIQIAVECC-BLLLJJGKSA-N 282.786 4.725 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1C[C@H]2C=C[C@H]1CCC2 2339277062 FLDASVLQXHGOOY-HSFUPAIVSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCCCNC 2340357387 SMXVUWGDZIEGCC-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1ccc(CC(C)C)cc1 2341892682 IUHSNFOZXHSPOQ-ZWKOTPCHSA-N 257.421 4.502 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@H]1CCC(C)=C(C)C1 2343448735 XFVLFQJOJWIINN-INIZCTEOSA-N 262.441 4.527 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1nc2ccccc2s1 2344394795 GHEMJOLKHZQZJZ-GDBMZVCRSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CCCCCCCCC)NN 2344472971 GAHIIWVKZJVCFE-DLBZAZTESA-N 268.489 4.951 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1CC(F)(F)C12CCC2 2344476775 NNTJUJQGHZHIJG-RDBSUJKOSA-N 272.379 4.555 30 10 CJEE CC(C)C1(CN(C)C[C@@](C)(CS)C(C)(C)C)CCC1 2352292654 CSHDJYGDRAAFKN-INIZCTEOSA-N 285.541 4.727 30 10 CJEE C[C@H](c1ccccc1)N(C)C[C@@](C)(CS)C(C)(C)C 2352294726 OLCFGHXGAITJQQ-PBHICJAKSA-N 279.493 4.662 30 10 CJEE CC(C)C[C@H](CS)CO[C@H]1CCC[C@H](C(F)(F)F)C1 2353835243 RLSXFADWYKLPEY-AVGNSLFASA-N 298.414 4.716 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCc2ccccc21 2354853903 KDTBONSOKWVDOJ-NWGLXNPWSA-N 265.400 4.611 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1C[C@@H]2C[C@@H]2CO1 2355829246 YKOWJXDMTZJANC-BSDSXHPESA-N 281.484 4.530 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358464984 CINDPRDSRYDKMM-WNRNVDISSA-N 281.484 4.660 30 10 CJEE Cc1ccc(-c2nc3c(C)cccn3c2[C@@H](C)C#N)cc1C 31921485 LLGKJPZKQPRQFY-HNNXBMFYSA-N 289.382 4.554 30 10 CJEE CCc1ccc([C@@H](CC)Nc2cccc(F)c2C#N)cc1 36138507 HUERATBBNMVAJS-QGZVFWFLSA-N 282.362 4.823 30 10 CJEE CSc1ccc([C@H](C)Nc2ccc(CC#N)cc2)cc1 37071345 VOBRMFXRFJPKOS-ZDUSSCGKSA-N 282.412 4.648 30 10 CJEE CC(C)[C@H](Nc1ccc(F)c(C#N)c1)c1ccccc1 51636061 PDBSJEAGODRCNI-KRWDZBQOSA-N 268.335 4.507 30 10 CJEE COc1ccc(-c2nc(C(C)(C)C)c(CS)s2)cc1 82440510 WCHJULVIJHOAEI-UHFFFAOYSA-N 293.457 4.546 30 10 CJEE COc1ccccc1N[C@@]1(C#N)CCC[C@H](C(C)C)CC1 86949226 IIIDRQKJTNSXAK-YJBOKZPZSA-N 286.419 4.606 30 10 CJEE C=CCCC[C@@H](NCC)C1CCC(CCC)CC1 87964227 RZILMSKMGHGEBZ-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CCC(CC)n1ccc(C[C@]2(C#N)CCC[C@H](CC)C2)n1 87972354 MARYJBLWEFYHNL-YJBOKZPZSA-N 287.451 4.897 30 10 CJEE CCC1CCC(C#N)(C[C@H]2Cc3cc(C)ccc3O2)CC1 90902684 RBFPSHFMIYLFHG-URSIVYNOSA-N 283.415 4.799 30 10 CJEE CC(C)N[C@@]1(C#N)CCC[C@H]1CCSC1CCCCC1 93580908 ADXDQYZQCQXOOP-DOTOQJQBSA-N 294.508 4.503 30 10 CJEE CCCC(CS)(CCC)CN(C)c1cccc(OC)c1 94580402 RTTDQOYOWBNYHT-UHFFFAOYSA-N 295.492 4.648 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCCCCCS)c1 94582327 MZCCPOWNPTZVQZ-UHFFFAOYSA-N 266.450 4.771 30 10 CJEE CCCC(CS)(CCC)COC1CCCCC1 94583569 QNNIBWZWMKPMHU-UHFFFAOYSA-N 258.471 4.852 30 10 CJEE Cc1cc(C)cc(CSCCCC(C)(C)C#N)c1 94718403 TUICNIROSRRMIZ-UHFFFAOYSA-N 261.434 4.867 30 10 CJEE CCCCCCCc1nc2cc(Cl)ccc2[nH]1 103569559 DHVDBJNSYWKCAR-UHFFFAOYSA-N 250.773 4.729 30 10 CJEE CCCCCCCn1c(C(F)(F)F)nc2c(N)cccc21 104326987 RHWAGLMMBUTVSM-UHFFFAOYSA-N 299.340 4.608 30 10 CJEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(Cl)cc1 104725604 MXUHYGTWPGPYMB-QBFSEMIESA-N 285.774 4.847 30 10 CJEE CCCOc1cc(C)c(Cl)cc1[C@H](C)CCC#N 107622370 LJDQELKANYFUPI-LLVKDONJSA-N 265.784 4.845 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)C2CCC(CC)CC2)C1 110264208 YYVUQCBUWYMFGG-ASGJETJBSA-N 290.495 4.996 30 10 CJEE CCCCCCCC[C@H](CNC)Cc1cccc(OC)c1 110521047 ARUTXNVMBJRVIO-SFHVURJKSA-N 291.479 4.824 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(CC/C(C)=N/O)cc1 111780312 XJPXDKPEIYJNNS-OCLPCCBJSA-N 289.419 4.817 30 10 CJEE CCCCCCC[C@H](O)c1ccc(Cl)cc1F 112888178 UBYRNPLLPHMWLD-AWEZNQCLSA-N 258.764 4.873 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@H]1C(C)(C)C 115227336 KRVUTKYGTDRFJR-KRWDZBQOSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)C[C@H](C)O2 115859955 AYFCIAHUIYMLBM-WMLDXEAASA-N 276.420 4.794 30 10 CJEE CCCCCCCCC[C@H](CCc1cccc(C)c1)NN 122259765 VGNCBORENZHAEJ-LJQANCHMSA-N 290.495 4.900 30 10 CJEE Cc1cc(C(=O)C2=CCCCCC2)ccc1Br 137478092 DXUKKBRBTYEKPE-UHFFFAOYSA-N 293.204 4.831 30 10 CJEE C=C(CC)C[C@H]1CC(C)(C)CC[C@H]1CNCCC 156287003 JRPJLNCCXIPNLG-HOTGVXAUSA-N 251.458 4.785 30 10 CJEE CSc1ccc(NCc2ccc(C#N)cc2Cl)cc1 162577437 QPWXEJXDQIKDNN-UHFFFAOYSA-N 288.803 4.546 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Nc2cccc(F)c2)c2ccccc21 163863712 XYLODYLMBIMSPO-ACJLOTCBSA-N 280.346 4.554 30 10 CJEE C[C@H]1[C@H](C)C[C@@H](C)CN1CC1(CS)CCCCCC1 168169500 MIQWKSVOOATUEU-OAGGEKHMSA-N 283.525 4.623 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2c(C)cccc2C)CC1 215629307 QLKYTCNYXMTHGL-CUYAVPTFSA-N 285.431 4.837 30 10 CJEE CCCCCCCCOc1ccc([C@H](C)O)c(F)c1 232939320 HISQDGFKJJNAJW-ZDUSSCGKSA-N 268.372 4.618 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@]1(C)CCCS1 233124465 ZKSZPNBJUGJUHC-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE N#Cc1ccc(F)cc1CNc1cccc(Cl)c1Cl 236193159 BDNKLXSQVVSNSR-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#Cc1ccc2[nH]c([C@@H]3CC[C@@H]4CCCC[C@H]4C3)nc2c1 250227077 XPDPPWPDGNIKPJ-SOUVJXGZSA-N 279.387 4.508 30 10 CJEE C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)c1ccccc1 251423216 HIGVSNAIAUASGA-PBHICJAKSA-N 298.817 4.640 30 10 CJEE CCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 252373201 OVXNSZSAOGROMU-MELADBBJSA-N 253.455 4.874 30 10 CJEE CCCCCCC[N+](C)(C)[C@@H]1C[C@@H](C(C)C)CC[C@]1(C)O 256123027 DIJKBRDXKVVKLG-OTWHNJEPSA-N 298.535 4.609 30 10 CJEE Cc1ccc2cc(NC3CCC(C#N)CC3)ccc2c1 258889031 VDXHQSJTYSCVCY-UHFFFAOYSA-N 264.372 4.643 30 10 CJEE Cc1cc([C@@H](C)C#N)cc(C)c1OCc1ccccc1 260186258 KJAKVCMBOQTAIW-HNNXBMFYSA-N 265.356 4.510 30 10 CJEE C[C@@H]1CC[C@@H](CNC(C)(C)C)[C@H](CC#CC(C)(C)C)C1 312216306 VOOQBIZUEDJYHT-ZACQAIPSSA-N 277.496 4.867 30 10 CJEE CCCCCCCC[C@H](NCC)C1(COC)CCCC1 312945141 ISFNASGUTSZCSL-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE Cc1ccc(NCCCCCC#N)cc1C(F)(F)F 385275759 YMYXDJPJACSPBE-UHFFFAOYSA-N 270.298 4.510 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(C)c(C)o1 385408922 QWZJWPCVMZTASI-HNNXBMFYSA-N 251.414 4.908 30 10 CJEE C=C(COC(C)C)[C@H](CCCCCCCC)NCC 387597823 VCYGIQBYDSBNQH-KRWDZBQOSA-N 269.473 4.696 30 10 CJEE C=C(COC(C)C)[C@@H](NCC)c1csc2ccccc12 387677660 RJOUPINWBCJZEJ-QGZVFWFLSA-N 289.444 4.533 30 10 CJEE CC1(C)C[C@H](C2(C#N)CCCCCCC2)C(C)(C)O1 388640442 KBVFPOCEXYXXTP-AWEZNQCLSA-N 263.425 4.834 30 10 CJEE C=CC[C@@H](CC)N[C@H](CC)c1cccc(Br)c1 393797744 JNGPGBPACCQIFX-HUUCEWRRSA-N 296.252 4.845 30 10 CJEE CC[C@@H]1CCC[C@H]([C@H](O)C2(C#N)CCCCCCC2)C1 394593580 CNZUEGAIESXYPB-IKGGRYGDSA-N 277.452 4.818 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(CC)s1 398123097 RRXBEPYMAPEQEU-STQMWFEESA-N 251.439 4.706 30 10 CJEE Cc1ccc([C@H](NCC2CCC(C#N)CC2)C2CCC2)cc1 442863797 ASAYXKOYEKPTSN-LBXVMSDZSA-N 296.458 4.756 30 10 CJEE C#CCCCCC[C@H](O)c1ccc2sccc2c1 686682116 YLQWFNMJDCDTSR-HNNXBMFYSA-N 258.386 4.518 30 10 CJEE C#CCCCCCn1ccc2cccc(Br)c21 686691718 ZVJANMAFXSRHRQ-UHFFFAOYSA-N 290.204 4.597 30 10 CJEE CCCCCCCOc1ccc2c(c1)[C@@H](NCC)CC2 690802717 WNFZMRVEERRPRM-SFHVURJKSA-N 275.436 4.633 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)ccc1C 692270685 FXNOGLZOKFSDEB-AEFFLSMTSA-N 257.421 4.528 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)c2cc3cscc3s2)cc1 694324851 CQZGYPGGKQGAMS-ZDUSSCGKSA-N 297.404 4.761 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1cc(C(F)(F)F)ccc1F 695872508 OMRRRLWYARHXHU-SECBINFHSA-N 289.272 4.552 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](CCC)C3CCC3)C[C@@H](C1)C2 697309787 BWPLLNVSNUKVSX-MPBLMAKGSA-N 261.453 4.680 30 10 CJEE Cc1ccc(COc2cc(Cl)ccc2Cl)cc1C#N 701879190 BXXIGDSITOSPAR-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1c(C)cc(C)nc1C 703954398 DWKSNINBZQINLJ-OAHLLOKOSA-N 274.452 4.650 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1cccc(F)c1 704930343 BAGVDHSCRHUGAJ-BYCMXARLSA-N 263.381 4.636 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCCC12CC2 706219197 XYUPDFOMCARLLN-JKSUJKDBSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC1(C(=O)O)CCC=CCC1 718051166 KVOYAKUOOACAEQ-UHFFFAOYSA-N 252.398 4.938 30 10 CJEE CCCC(CS)(CCC)CN(C)C1(C(F)(F)F)CC1 720688462 FRSLQJVGSHZVFN-UHFFFAOYSA-N 297.430 4.530 30 10 CJEE CCCC[C@H](CC)C[C@@]1(C#N)C[C@H](C)O[C@H](C)C1 724270219 FSWPGQZARODMKF-XUWVNRHRSA-N 251.414 4.690 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccccc2Cl)CC1 724542220 KEVZAIAOJRXZLS-ZDUSSCGKSA-N 263.812 4.737 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1 1124405705 SHHOWWXZHZENOM-UHFFFAOYSA-N 272.175 4.534 30 10 CJEE C=CCC1(C(=O)Oc2cc(Cl)ccc2F)CCCCC1 1126320687 QFAFGLCMBPRTHD-UHFFFAOYSA-N 296.769 4.911 30 10 CJEE C=CC[C@H](CC)NC(=O)c1ccc(C2CCCCC2)cc1 1128425124 CXVSFKHFETUGEA-SFHVURJKSA-N 285.431 4.819 30 10 CJEE C=CCCCCCCNC(=O)Cc1coc2ccc(C)cc12 1128748198 JRTWMUMZQJBOQQ-UHFFFAOYSA-N 299.414 4.536 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](C)CCCCCC 1131309374 KYUSOOZYXUGUKM-BHYGNILZSA-N 277.452 4.693 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cccc(C)c1 1190457196 JCDCIBUVIMVQMN-KRWDZBQOSA-N 295.426 4.753 30 10 CJEE C=CCCCC(=O)N[C@H](c1cccs1)C(CC)CC 1264746357 OTEYYBCNUBTKGO-INIZCTEOSA-N 279.449 4.698 30 10 CJEE C=CC[C@H](CC)NCCCCc1cccc(C(F)(F)F)c1 1308723936 PAMHSCJOBTUPCU-INIZCTEOSA-N 299.380 4.972 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)c3ncccc23)CCCC1 1352091414 UIUSCQVKIGSIPH-UHFFFAOYSA-N 294.398 4.618 30 10 CJEE C=CCC[C@@H](C(=O)Oc1cccc(C)c1C)c1ccccc1 1355396285 PBTHGWLKLRADIL-GOSISDBHSA-N 294.394 4.959 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2ccccc2F)CCCCC1 1435771316 AEZTZUJEBQLPBZ-CQSZACIVSA-N 290.378 4.957 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@@H]2CCC[C@@H]2CCC)CCCC1(C)C 1436084276 VUDQVTWYRZKFJB-BBWFWOEESA-N 291.479 4.796 30 10 CJEE C=CCCCN(CC)C/C(C)=C/c1ccccc1COC 1462631601 AHZVDUIXUUZIOB-SAPNQHFASA-N 287.447 4.524 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 1523897095 WLVSNFDARSVNFV-MSOLQXFVSA-N 291.394 4.547 30 10 CJEE C=C1CCC(C(=O)Oc2cccc3sccc23)CC1 1530173161 FKJLFUBEYINMBC-UHFFFAOYSA-N 272.369 4.553 30 10 CJEE C=CCC1(NC(=O)/C=C\C2CCCCCC2)CCCC1 1532276650 NFQIYFFKZIDKON-QXMHVHEDSA-N 275.436 4.518 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 1535568910 JKMWBKJNSHZBLS-OAHLLOKOSA-N 299.458 4.560 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCC(C)(C)c2ccccc21 1535580606 AKEIMOLDBZTAPE-INIZCTEOSA-N 285.431 4.518 30 10 CJEE C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 1538737857 MAXRVEIGLQISHI-IIDMSEBBSA-N 279.468 4.557 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc3scnc3c2)c1 1539557850 GWTLCSNJGHCYLX-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE 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253.389 4.847 30 10 CJEE C=C(C)[C@@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547307 JCBHHXZXAXDINX-MFJUZZNBSA-N 261.453 4.537 30 10 CJEE C#CCCC[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 97390310 JIUVRCDTIHGRFV-YMAMQOFZSA-N 289.385 4.527 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(C)c(C)c2)c1 103030871 WUKXXRBDOPZGDG-KTKRTIGZSA-N 279.383 4.729 30 10 CJEE CCCCCCCCCN1C[C@@H](C)Oc2ccc(N)cc21 104073842 AXOVCPBFMYSZJK-OAHLLOKOSA-N 290.451 4.607 30 10 CJEE C#C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OCCC 107657067 NDMFJUPZFCEEIP-SNVBAGLBSA-N 271.187 4.594 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1C[C@H]2C=C[C@H]1C2 109900836 WINWPXNCRFOFTC-KKUMJFAQSA-N 271.429 4.589 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)CCCO2 110174012 SXGLGUMIIQUOSU-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N 110255578 LRUVDEPNWIKMBV-BXUZGUMPSA-N 296.336 4.958 30 10 CJEE CCCCCCCOc1ccc(CNC2CC2)cc1Cl 110520081 PVSDUMNXHRSWMO-UHFFFAOYSA-N 295.854 4.941 30 10 CJEE CCCCCCCC(=O)CSc1ccc(F)cc1 117401761 WCTXDELQQVKDMB-UHFFFAOYSA-N 268.397 4.847 30 10 CJEE CCCCCCC[C@@H](NCC)C1(N(C)C)CCCCC1 118181633 JCTUVCHJRJLCPA-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](OCC)C(C)C 122871700 LORSIQJISKJXPX-JKSUJKDBSA-N 258.446 4.549 30 10 CJEE CCCCCCCCO[C@@H]1CCC(C)(C)[C@@H]1NCCC 123878282 FJGUHLGPVPRXHU-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE N#Cc1ccc(Cl)c(N[C@@H](c2cccs2)C2CC2)c1 125717943 OJTGGBVKMCVXDS-OAHLLOKOSA-N 288.803 4.836 30 10 CJEE CCCCCCCC(=O)[C@H]1CC(C)(C)OC1(C)C 128538353 FRZRUPTXVIZGLA-CYBMUJFWSA-N 254.414 4.510 30 10 CJEE CCCCCCCCCCNC1Cc2ccccc2C1 129271743 AHBXMZUTUHPZJK-UHFFFAOYSA-N 273.464 4.884 30 10 CJEE CCN(c1ccccc1F)c1cccc(SC)c1C#N 136655680 ZQVWEJYLFRFYQK-UHFFFAOYSA-N 286.375 4.577 30 10 CJEE Cc1cc(C)c([C@H](O)C2(C#N)CCCCCCC2)c(C)c1 156804938 QLOSGSCDWRYEHQ-SFHVURJKSA-N 285.431 4.900 30 10 CJEE Cc1cc(C)cc([C@@H](O)C2(C#N)CCCCCCC2)c1 156812139 LVAHZSRTDHFTAI-QGZVFWFLSA-N 271.404 4.591 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(OC(F)F)cc1 158119474 JNFLKHOQKHWPRE-HNNXBMFYSA-N 285.378 4.909 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H](CCC)OCC 159787796 JZMVLTPLVYFNJK-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CC(C)(C)OC1(C)C 160106270 IFIBODKNPYNPJA-GJZGRUSLSA-N 270.457 4.692 30 10 CJEE C[C@@](C#N)(CCCC(F)(F)F)Nc1ccccc1Cl 163594090 NITXXBTXAVLGQI-LBPRGKRZSA-N 290.716 4.767 30 10 CJEE CC[C@@H](Nc1cc(Cl)ccc1C#N)c1cccc(F)c1 166467052 IUQQEGBLTZTDOL-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE C=CCCC[C@H](NCC)c1ccc(C)c(Br)c1 167700771 PZPPYCHBMMHBMH-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)(C)c1ccc(CNc2ccc(C#N)cc2F)cc1 168257620 DMHWWNPRHKEBGE-UHFFFAOYSA-N 282.362 4.607 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)OC 224152308 FLGAYLSUHTZYFI-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=CCC[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 228818620 REEKWEUKPHGLJZ-WFASDCNBSA-N 251.801 4.735 30 10 CJEE CCCCCCCCCCC[C@H](O)C1CCOCC1 229502947 VTRPVDNDFBPXGE-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE C=C(CC)C[C@H](NCC)c1cc(F)c(Cl)cc1F 229753599 ODCRRDBUOFLQJA-AWEZNQCLSA-N 273.754 4.625 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C(C)(C)C)cc1 229759540 ABNZYQFCVDGOHK-KRWDZBQOSA-N 259.437 4.991 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCC[C@@H](CC(C)C)C2)C1 230794637 RXYVVQKFWSICHO-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc2ncccc12 231098141 XKYDCTJIJAIPHM-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(C)cc1Cl 232941085 MZOFUFBQLYADJX-HNNXBMFYSA-N 268.828 4.912 30 10 CJEE CCCCCCCCC[C@H]1C(=O)Nc2ccccc21 232941737 RQVLDUYDLQFIDV-OAHLLOKOSA-N 259.393 4.863 30 10 CJEE O=C(Cc1c(Cl)cccc1Cl)C1=CCCCCC1 236034571 YMCQHMPGDVJFOY-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE CC[C@@H]1CCC[C@@H](OC[C@H](CS)C(C)(C)C)C1 251934250 ZOXKODLUWHWUGB-MGPQQGTHSA-N 258.471 4.564 30 10 CJEE Cc1cccc(N=C2c3ccccc3-c3ncccc32)c1 254615265 DBBGYNOVECXLSC-UHFFFAOYSA-N 270.335 4.540 30 10 CJEE O=C(C1=CCCCCC1)c1cscc1C(F)(F)F 306099663 OZELIZZWROWDCO-UHFFFAOYSA-N 274.307 4.840 30 10 CJEE CC(C)C1CCC([C@@H](O)[C@]2(C#N)CCC[C@@H](C)C2)CC1 312584225 KVZABMYRJITSEL-QEFFHFBBSA-N 277.452 4.530 30 10 CJEE C[C@@H]1CCC[C@](C#N)([C@@H]2CCOC3(CCCCC3)C2)C1 312615216 XKDWDXCWDYEPCG-ZACQAIPSSA-N 275.436 4.836 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCC23CCCCC3)c1 313004208 AUPNIRQZKFKXDD-GOSISDBHSA-N 268.404 4.804 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2C[C@@H]3CCCC[C@@H]3O2)C1 316846694 NHVHTAPXBZZUQV-RSJGLCBASA-N 278.436 4.510 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(Cl)ccc2F)C1 317396591 ZAIKVVLDQRIXNU-LRDDRELGSA-N 282.786 4.807 30 10 CJEE C[C@@H](C[C@@]1(C=O)CCc2ccccc21)C1CCCCC1 317426033 OUNNEASXHQJFSU-HNAYVOBHSA-N 270.416 4.676 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC2CCC(C)(C)CC2)C1 317844438 XZXBIGCQKNAKFG-RHSMWYFYSA-N 250.426 4.988 30 10 CJEE CCC1CCC(C#N)([C@]2(O)CCCC23CCCC3)CC1 328078996 GHZUDBZEXVGDJW-VJFUWPCTSA-N 275.436 4.572 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C1CCC(C)(C)CC1 388719162 YUPRAUDGEYSOOE-INIZCTEOSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CCCC[C@@H]1C1(C#N)Cc2ccccc2C1 388794153 NJBRZBIRBRNRSL-PBHICJAKSA-N 253.389 4.512 30 10 CJEE CCC[C@@H]1CCCN(C[C@H](C#N)C2CCCCC2)CC1 397330863 SSOAJSLSQMEEHY-AEFFLSMTSA-N 276.468 4.609 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)c1ncon1 397864938 FUWZKZLWEAINJG-HNNXBMFYSA-N 281.444 4.641 30 10 CJEE CC[C@H]1CCCC[C@H]1CNc1ccc(Cl)c(C#N)c1 401422181 UNZCECOPIVCIQX-STQMWFEESA-N 276.811 4.840 30 10 CJEE Cc1cc(C(F)(F)F)c(OC(F)F)cc1C(F)F 575665795 UYMVAZFGZWGGSR-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C#C[C@@H](Nc1cc(C)c(Cl)c(C)c1)c1ccccc1 690281018 DRTZYJXPJATRIA-MRXNPFEDSA-N 269.775 4.743 30 10 CJEE CCC(F)(F)C(C)(C)COc1cccc(Cl)c1C#N 691067624 CGBGHRDZCURIJH-UHFFFAOYSA-N 287.737 4.662 30 10 CJEE Cc1ccc(C#N)cc1N[C@@H]1CCCCC[C@@H]1C(C)C 691136711 IYJUVIHQEJHISC-IAGOWNOFSA-N 270.420 4.884 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2ccc(F)cc21 692192680 YTINDHOYTPKGIQ-RISCZKNCSA-N 290.407 4.772 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CCOC1(C)C 693114865 WFCXATWAFHCISL-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCO[C@H](CNC(C)(C)C)CC(C)C 695111070 JYSFHMKBWUSNNC-INIZCTEOSA-N 271.489 4.776 30 10 CJEE CCCCCCCCCN[C@H]1CCCC(F)(F)C1 695136879 LTKWIIWOSMBPLC-AWEZNQCLSA-N 261.400 4.905 30 10 CJEE CC(C)CCN(C1CCCC1)[C@H](C)CC(C)(C)C#N 695839472 QCXMECQWIFUXJK-OAHLLOKOSA-N 264.457 4.605 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@]1(C)CCCC[C@H]1N 696618679 XCPYUCDPEYYVEI-SQNIBIBYSA-N 283.500 4.786 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(Cl)cc3)C[C@@H](C1)C2 697295449 IEOFBJFGOZBJQL-OCZCAGDBSA-N 261.796 4.887 30 10 CJEE C=C1C[C@H]2CC(Nc3cccc(SC)c3)C[C@@H](C1)C2 697304151 INUIXOXZUUYTEK-MZBDJJRSSA-N 273.445 4.955 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1CC1(F)F)NCC 701153111 WVJRDKWQFLIRHH-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CC(C)(C)CCNC1CC(c2cccc(Cl)c2)C1 701884384 UEGVNMMLLPSQOJ-UHFFFAOYSA-N 277.839 4.778 30 10 CJEE N#CCc1ccc(COc2cccc3sccc23)cc1 705012351 YXICAOXCMBKDCG-UHFFFAOYSA-N 279.364 4.546 30 10 CJEE CCCCCCCC[C@@H](NN)C12CCC(CC1)CC2 710116123 IFRVDEHGKHHNGH-AQFXKWCLSA-N 266.473 4.539 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc(F)ccc1Cl 710643838 GUZVDLUCUUOQKS-ZDUSSCGKSA-N 276.182 4.662 30 10 CJEE Cc1cc(SCC(C)(C)C(C)C)c(C#N)cc1[N+](=O)[O-] 718783406 NAVUNTDJTNDLRD-UHFFFAOYSA-N 292.404 4.549 30 10 CJEE C=C(C)CN(CC)c1ccc(CNC(C)(C)C)cc1Cl 723174516 JYGARNFCNDLPFQ-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(C[C@H](NCCC)C(C)(C)OC(C)C)CC1 724554105 SWSSPLWVHISEDW-KRWDZBQOSA-N 281.484 4.695 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H](C)CC(F)(F)F)CC1 724558003 GXIHOBKJSOYJQJ-OCCSQVGLSA-N 277.374 4.690 30 10 CJEE C=C1CCC(CNCc2cccc3ccccc23)CC1 724558880 FXDBCWYRWHNWBN-UHFFFAOYSA-N 265.400 4.676 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCCC23CC3)CC1 724599282 FIQOVQQMYOCPRY-IRXDYDNUSA-N 261.453 4.681 30 10 CJEE C=CCCCSCc1ccc(OC)c(Cl)c1 1189288713 HYFFSHFQMMLYDK-UHFFFAOYSA-N 256.798 4.548 30 10 CJEE C=CCN(Cc1ccc(-c2cccs2)cc1)C(C)C 1190590226 WTXNWHXAULMTSU-UHFFFAOYSA-N 271.429 4.812 30 10 CJEE C=CCCCCCCNC(=O)NC(C)(C)C1CCCCC1 1228040261 FEYJKIRMNGWWRO-UHFFFAOYSA-N 294.483 4.781 30 10 CJEE CCCCCCC[C@@H](C)NC(C(F)(F)F)C(F)(F)F 1258040382 ASMFBUSJVWYZDT-SECBINFHSA-N 293.295 4.818 30 10 CJEE C=CC1(CC(=O)N(CC)Cc2ccccc2)CCCCC1 1264227801 LSLDPLMJADNHCP-UHFFFAOYSA-N 285.431 4.562 30 10 CJEE C=CCCN(CCCC1CCC1)OCc1ccccc1 1307699243 WTUDRAHASARGGF-UHFFFAOYSA-N 273.420 4.577 30 10 CJEE C=CC[C@H]1N(Cc2c(C)cc(C#N)cc2C)CCCC1(C)C 1307728459 BWZWTMDZYOVAIH-LJQANCHMSA-N 296.458 4.742 30 10 CJEE C=CC[C@@H]1CC[C@H](NCCCCCCC(C)C)C1 1308180159 ZMGLQUDCDMOUQR-SJORKVTESA-N 251.458 4.927 30 10 CJEE C#Cc1ccc(CNCC2CCC3(CCCCC3)CC2)cc1 1308773370 IKTRBNNMDXDWES-UHFFFAOYSA-N 295.470 4.898 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)c1ccc2c(c1)CCCO2 1308871696 LIVSYBBTCXOKLM-QAPCUYQASA-N 287.447 4.797 30 10 CJEE C=CCN(C(=O)CC1(C=C)CCCCC1)c1ccccc1 1352792560 CLQRXMSOQLXVCE-UHFFFAOYSA-N 283.415 4.732 30 10 CJEE C=CCCCCCN(C)C(=O)CC1CCC(C)(C)CC1 1354055496 ZOKCZRQZYJTDHA-UHFFFAOYSA-N 279.468 4.798 30 10 CJEE C=C[C@H](CC)CC(=O)N(Cc1ccccc1)C1CCCCC1 1354824949 RHFMQWSTCSNGBM-QGZVFWFLSA-N 299.458 4.950 30 10 CJEE C=CC1CCN(C(=O)c2ccc(C(C)C)c(Cl)c2)CC1 1360234947 BOYTUORXEDYJJB-UHFFFAOYSA-N 291.822 4.502 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCCC[C@H]1c1ccc(C)o1 1360766077 FXOZUFPNICQKDP-CVEARBPZSA-N 289.419 4.634 30 10 CJEE C#Cc1ccc(CNc2cc(C(F)(F)F)ccc2C)cc1 1461311590 URZZHASCMQHQLL-UHFFFAOYSA-N 289.300 4.607 30 10 CJEE C=C(C)[C@@H](N[C@H]1C[C@@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 1462113439 QLLDWJRJEIKGGG-CSBKYJRVSA-N 291.385 4.750 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H]1CCC1CCCCC1 1466050992 IBLVWIXWTNFBNU-GOSISDBHSA-N 291.479 4.940 30 10 CJEE C#C[C@H](Nc1nc2c(C)cc(C)cc2s1)c1ccccc1 1472815637 GMXNUPHYBPWAIO-HNNXBMFYSA-N 292.407 4.700 30 10 CJEE C=CC1(CC(=O)O[C@@H]2CCC[C@H](C)[C@@H]2C)CCCCC1 1520874699 HBBRPVRGLRVSIQ-HRCADAONSA-N 278.436 4.881 30 10 CJEE C=C[C@H](CC)CC(=O)N(c1ccccc1F)C1CCCC1 1523040465 NDTHGJKGYIHGOA-CQSZACIVSA-N 289.394 4.704 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 1532387436 KGEKRMVIVQRGTF-OAHLLOKOSA-N 290.721 4.563 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 1532842246 WGKRYVFBTGQCDQ-SFHVURJKSA-N 289.394 4.530 30 10 CJEE C#CCCCCCC(=O)O[C@@H](CC)c1ccc(C)c(F)c1 1535606319 AQVKAGKBAVVVAB-KRWDZBQOSA-N 290.378 4.712 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10 CJEE O=C(C#CC1CCCCC1)[C@@H]1CCCC[C@H]1C(F)(F)F 2289757133 ROJYZGRPXKPVDT-ZIAGYGMSSA-N 286.337 4.508 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(F)cc1Cl 2289853061 WWLGMYHYVIRFDP-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CC(C)(C)NC[C@H]1CCCC[C@@H]1CC#CC1CCCC1 2289875493 QUPCYNCIKNTRMW-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE C[C@@](O)(CC#CC1CCCC1)c1cc2ccccc2s1 2289923557 ASGVQPFCHCPWGD-GOSISDBHSA-N 284.424 4.693 30 10 CJEE CC1(C)CCC(C)(C)[C@](N)(C#Cc2ccc(Cl)cc2)C1 2290223248 YHDRSYYNXBQUEY-SFHVURJKSA-N 289.850 4.625 30 10 CJEE C=CCCCCCC[C@H](OCCC(=O)O)C(C)(C)CC 2292428562 PMWGOKFLXFCFGV-HNNXBMFYSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCCC[C@H]1CC 2292714671 RTXQGXFAAJMNKE-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@@]1(OCCC(=O)O)CCCC[C@@H]1C 2292720952 HCJMZUMYLGEXMB-DOTOQJQBSA-N 282.424 4.563 30 10 CJEE CCCCCC#CC[C@@](C)(CC(C)(C)C)OCCCN 2292840607 OKUJTBMTHOKCCG-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1(C)CC=CC1 2293718663 YLZUMRNFWQHFLU-QGZVFWFLSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC[C@@H]1C(C)C 2294368576 LQPPPILVVCUVHH-MSOLQXFVSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC1(OCCN)CC2(CC(C)C2)C1 2294593869 FJICMHQAYBJSHR-UHFFFAOYSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)[C@H]1CC1(C)C 2295524192 HIVJYBUKDARYJW-WMZOPIPTSA-N 282.516 4.575 30 10 CJEE CCCCCCC[C@](C)(O)CC1(COC)CC(F)(F)C1 2295637763 VNDOHPQQELESMZ-AWEZNQCLSA-N 292.410 4.550 30 10 CJEE CCCC[C@H](CC)CSCCC[C@@](C)(C#N)NC1CC1 2295712027 UAEHAQQTLMCHBV-RDJZCZTQSA-N 296.524 4.750 30 10 CJEE CCc1cscc1Nc1cc(Cl)ccc1C#N 2302873708 MSKCWMSSEVLLER-UHFFFAOYSA-N 262.765 4.579 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CC[C@@H]2C[C@H]12 2308626122 OVDLAGJXXYJBFC-QZWWFDLISA-N 251.458 4.761 30 10 CJEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]1F 2312409682 APRNHLBKXIZVHK-OWCLPIDISA-N 255.421 4.629 30 10 CJEE CC1=C(C)C[C@@H](C[C@@]2(C=O)CCC(F)(F)C2)CC1 2320407998 GYGJPFHCFCOADV-KBPBESRZSA-N 256.336 4.518 30 10 CJEE C#CCCCCC[C@H](N)c1c(Cl)cc(C)cc1Cl 2327871926 FNYQYOOWARUIHW-AWEZNQCLSA-N 284.230 4.885 30 10 CJEE CC(C)C[C@H](CS)COCC1(C)CC2(CCC2)C1 2328524804 AZXCMLZERJJJPS-AWEZNQCLSA-N 270.482 4.566 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1C[C@H]1C1CCCCC1 2334657592 DGAPFZURHDYYJQ-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCCC[C@H]1C 2338726376 ZWVSKKROQOKWAF-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE C=C(CC)C[C@@H](N)[C@@H](c1ccccc1)C1CCCC1 2342359944 GYKCKYCSRBVXQY-MSOLQXFVSA-N 257.421 4.644 30 10 CJEE CCCCCCCCOC[C@@](C)(CC)CNC1CC1 2343158782 PIWZUBNAYXLTOM-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CC[C@H](OC[C@@H](C)CS)c1ccc(C(F)(F)F)cc1 2343888753 WQNSMPRISOIQSA-MFKMUULPSA-N 292.366 4.739 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@H]1CC2CCC1CC2)NCC 2344338961 FGSCYVQGPPYWHC-BHUNQDJPSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCC(C(C)C)C(C)C)NN 2344473793 MUDDVUWHQGTONH-SJORKVTESA-N 268.489 4.519 30 10 CJEE C[C@H]1C[C@@H](OCC2(CS)CC(C)(C)C2)CC(C)(C)C1 2344969802 CRIHWUJJNCHMFK-UONOGXRCSA-N 284.509 4.954 30 10 CJEE C=CCC(CC=C)SC[C@H](NCCC)[C@@H]1CC12CCC2 2360205974 RUWDAWYQEXOUAX-IRXDYDNUSA-N 293.520 4.799 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNC(C)(C)C)cc1C#N 2360374250 HSINUTCBGDFGDY-ZDUSSCGKSA-N 288.460 4.503 30 10 CJEE Cc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@H]32)s1 20688900 BFUVLFXHIZMVEU-HBUWYVDXSA-N 292.407 4.755 30 10 CJEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(C)C)cc2)cc1 37347900 QEGAMSKJLDQIOT-GOSISDBHSA-N 277.367 4.609 30 10 CJEE O=C1/C(=C/C=C/c2ccccc2)Oc2ccc(Cl)cc21 39842333 IXVIXFASRZFMJR-QSJINSDNSA-N 282.726 4.512 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccccc1F 52857942 STPJKRNOWAUYHG-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#C[C@@H](CCCCOc1ccccc1)c1ccccc1 57684428 IBSSYASXXZVWIL-QGZVFWFLSA-N 265.356 4.543 30 10 CJEE COc1cccc([C@@H](C#N)CCCCOc2ccccc2)c1 57693582 GYTPXTQIYCANML-QGZVFWFLSA-N 295.382 4.552 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(F)cc1F 59134410 KALOWMXUXKUXDH-CYBMUJFWSA-N 269.379 4.976 30 10 CJEE CCCCCCC[C@@H](NC)c1ccc2c(c1)C[C@@H](C)O2 59284772 SNOBBQVXTMRZGP-RHSMWYFYSA-N 275.436 4.631 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc(Cl)cc1Cl 71631491 DPHKVGQRNDBMBS-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CC(C)(C)[C@H]1CCCN([C@@H]2CCCCC[C@@H]2C#N)CC1 79342226 QUBUZQFRUWKANJ-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CCc1ccc(CC2(C#N)CCC(C)(C)CC2)cc1 87940172 BJLRSULNBZLWTR-UHFFFAOYSA-N 255.405 4.902 30 10 CJEE C[C@@H]1CCCC[C@H]1N(C)CC1(CS)CCCCCC1 94580974 JXWBIEOAYDRBBP-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CC(C)Cc1ccc([C@H](C#N)Nc2ccc(F)cc2)cc1 94896906 RUCMQIMSWOQCQS-SFHVURJKSA-N 282.362 4.701 30 10 CJEE Cc1ccc(Nc2ccc(C#N)cc2Cl)c(Cl)c1 104005551 MGGYFQWDYASFPD-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C#CC[C@@H](CCC)c1cc(C)cc(C)c1OCCC 107665162 DAXPYRHBAFGHQO-INIZCTEOSA-N 258.405 4.999 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(CC)ccc1OCC 107668684 FFADSYBEXSYNIR-LSDHHAIUSA-N 258.405 4.801 30 10 CJEE CCCCCCCCN[C@H](C)COc1ccc(C)cc1 109922812 ABJMHYOUWAOYCL-QGZVFWFLSA-N 277.452 4.712 30 10 CJEE CCCCCCCO[C@@H](c1cccc(F)c1)[C@H](N)CC 109987375 QPEUTXNASGRHDY-SJORKVTESA-N 281.415 4.591 30 10 CJEE CCCCCCCOC[C@@H](NCC)c1ccc(C)c(C)c1 110081387 DFNCZSWDBSEBQX-LJQANCHMSA-N 291.479 4.941 30 10 CJEE CCCCCCCCCOc1cc(F)ccc1[C@H](C)N 110100596 BMHCFLBWXTYSTE-AWEZNQCLSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCN[C@H](C)Cc1ccccc1 110464734 YGWMAVXTRKBDHE-QGZVFWFLSA-N 261.453 4.958 30 10 CJEE CCCCCCCCCNC[C@]1(N(C)C)CCC[C@H](C)C1 110520550 JXDAZNDKIYCJBC-OALUTQOASA-N 296.543 4.837 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 111610364 BEWDFXJATYTYPY-BXUZGUMPSA-N 262.784 4.592 30 10 CJEE CCCCCCCCC[C@@H](CN)Cc1ccccc1 111819847 OBRGHWUXTLIOHM-GOSISDBHSA-N 261.453 4.945 30 10 CJEE CCCCCCCCCc1cc(N)n(-c2ccccc2)n1 115858230 ZCKKRCLXWCYOBQ-UHFFFAOYSA-N 285.435 4.748 30 10 CJEE CCCCCCCCCCn1c(S)nnc1C1CC1 124883211 NIHFKJGDTMLTEN-UHFFFAOYSA-N 281.469 4.585 30 10 CJEE CCCCCCCCC[C@@H](Cc1cc(C)cc(C)c1)NN 125998829 LRQMQEYQAWXQPO-IBGZPJMESA-N 290.495 4.819 30 10 CJEE Cc1cc(N(C)[C@@H](C)c2ccccc2Cl)ccc1C#N 126891639 CZBPWERZIJQMSI-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCC(C)(C)C[C@@H]1C 131736982 DZVREZGDWWQMBZ-XHDPSFHLSA-N 274.383 4.633 30 10 CJEE C#CCCC[C@@H](NCCC)C(CC)(CC)c1ccccc1 134027846 AGOVDRNUULICPL-LJQANCHMSA-N 285.475 4.916 30 10 CJEE CCCCCCCCCCC(=O)c1cncc(F)c1 135629368 DDBWOOKTJBYCTQ-UHFFFAOYSA-N 265.372 4.934 30 10 CJEE N#C[C@H](C(=O)c1sccc1Cl)c1ccccc1Cl 162987311 CTQQMCPQJAOPPK-VIFPVBQESA-N 296.178 4.545 30 10 CJEE CCCCCCCCN(C)C[C@@H]1Cc2ccccc21 197972432 CFSPUFYXARZXQK-KRWDZBQOSA-N 259.437 4.619 30 10 CJEE C=C(CN[C@H]1CCCC[C@@H]1C(C)C)c1ccccc1 215086242 NFMHLMRYADPQQL-MSOLQXFVSA-N 257.421 4.504 30 10 CJEE CC(C)[C@@H]1CCC[C@@](O)([C@@]2(C#N)CCC[C@@H](C)C2)CC1 218601223 ZXUDUOBIQXVTHW-BDXSIMOUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCOCc1ccc(C(C)=O)cc1 222904343 VWELZFFYJPYDSH-UHFFFAOYSA-N 262.393 4.766 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc3ccccc3[nH]2)C1 227840155 OPFJNYCXSBCNLM-ZLDLUXBVSA-N 270.401 4.588 30 10 CJEE CCCCCCC[C@H](Cc1ccco1)NCCC 229189344 BUUHNLYLZRGTHQ-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCCCCCCCCCCC(=O)NCc1cc[nH]c1 231725755 JSTKYXIDXOUYLE-UHFFFAOYSA-N 278.440 4.552 30 10 CJEE C=CCCCCCN[C@H](CCC)c1cccs1 233292756 PZOXYWUUULSKKY-CQSZACIVSA-N 251.439 4.925 30 10 CJEE N#Cc1ccc(N[C@@H](c2ccccc2)C2CC2)c(Cl)c1 236032092 LZLYKOPWNWSKFV-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CC[C@H]1C2 250518283 IQJWKURVEILVHL-KCQAQPDRSA-N 259.418 4.565 30 10 CJEE CCCCCCCCCN1C[C@](C)(CC)NC[C@H]1CC 250798704 BUBUXIJMRVTWNC-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCC[C@H]2C)C1 251361423 WYRVWCAXRQUAKO-TVFCKZIOSA-N 290.495 4.996 30 10 CJEE Fc1ccc(N=C/C=C/C=C\Nc2ccc(F)cc2)cc1 254304270 WRTHMRUHGLIQNU-VLXVMCFASA-N 284.309 4.849 30 10 CJEE CCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@@H](C)S1 300422930 VSLJQMKGYIFSNK-KBXIAJHMSA-N 289.554 4.561 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H]1CCCC(F)(F)C1 302328428 INBIVMWEKRIEKF-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CC(C)C[C@@H](C)[C@@H](C#N)c1ccccc1Br 304559795 VPYMWSCUFJUTCM-DGCLKSJQSA-N 280.209 4.738 30 10 CJEE C=CCC[C@H](NCCC)c1c(C)cccc1Br 310370417 XOEZBASHSKZWDS-AWEZNQCLSA-N 296.252 4.764 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C[C@H](C)N 312291780 QCTOPWRTWPRYRW-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CC(C)C(Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C 312447944 YBECJELHDKEFJS-UHFFFAOYSA-N 284.325 4.670 30 10 CJEE CC[C@H]1CC[C@@](C=O)(Cc2cccc3ccccc23)C1 317703712 KWLZWJSMQKWQIG-KXBFYZLASA-N 266.384 4.778 30 10 CJEE CSCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 319826301 CJPLPCLDIICEKA-BZUAXINKSA-N 291.485 4.559 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccc(F)c(Cl)c1 380928447 GORVOEMIKOVLTP-LLVKDONJSA-N 269.791 4.732 30 10 CJEE N#C[C@]1(C[C@@H]2CCCCC2(F)F)CCc2ccccc21 382230976 VHCMGSISPJBVDU-GOEBONIOSA-N 275.342 4.610 30 10 CJEE CC[C@H](/N=C1/NC2(CCC(C)CC2)CS1)C1CCCC1 382862381 ILWBEMQKWFIURK-GULBITTBSA-N 294.508 4.597 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(C)cs1 383094914 MHKIDZUXWCJMBN-CQSZACIVSA-N 251.439 4.844 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(Br)cs1 384735629 CAFXQJKQJTYNGZ-GWCFXTLKSA-N 298.249 4.773 30 10 CJEE 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4.503 30 10 CJEE CCCCCCCCNCC1CCC(F)(F)CC1 693315469 GWDJAFQXLPPDKX-UHFFFAOYSA-N 261.400 4.762 30 10 CJEE C=C([C@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C)C(F)(F)F 699013251 QPDBMRMPOWWNEP-SCDSUCTJSA-N 277.374 4.545 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)c(N)cc1C 704010475 MSSTUAUBLFXTPD-UHFFFAOYSA-N 266.816 4.635 30 10 CJEE N#Cc1ccc(NCC(C2CCC2)C2CCC2)cc1Cl 704472034 JIXGLAOACVLMEE-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE CC(C)(C)[C@H](CS)COc1cccc2sccc12 705008400 CCNJLEZHFHTQJR-NSHDSACASA-N 280.458 4.872 30 10 CJEE CC(C)[C@@](O)(C1CC1)C1(C#N)CC(C)(C)CC(C)(C)C1 705356223 TVLALMUJKKNKKA-GOSISDBHSA-N 277.452 4.530 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCN1CC 712612757 CESHNZQDALGHNK-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=CC[C@@H](C)Oc1c(Cl)cccc1CNC(C)(C)C 715001200 MDSIKKGYVNMAGW-GFCCVEGCSA-N 281.827 4.572 30 10 CJEE CCCCCCCCN[C@@H]1CCO[C@H](C(C)(C)C)C1 721555134 HEAFUMXINCQLSG-CVEARBPZSA-N 269.473 4.530 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(F)c(F)c(F)c2)CC1 724571150 MKWBEOGYQMEWAB-HNNXBMFYSA-N 283.337 4.501 30 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CSc1cccc(SCC2CCCC2)c1C#N 136996660 DFFYCIDNLCWLRH-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE CCCCCCCCOc1ccccc1C(=O)OCC 137296919 QQCCHSKGRKRZAH-UHFFFAOYSA-N 278.392 4.603 30 10 CJEE C=CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1CNC(C)C 156070871 FRXFTFVDTIYFTD-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](N)c1c(F)cccc1OC 156083793 PXGYHUFFEMGTMA-HNNXBMFYSA-N 281.415 4.975 30 10 CJEE CCCCCCCCCCNc1ncnc(NC)c1CC 157453708 QJXZDNSCOQCCPF-UHFFFAOYSA-N 292.471 4.633 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1CCCO1)NC 157842083 MDPPMKZIVYCLFP-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1CCCCS1 158289429 WUIYOVWCWHXSRO-CABCVRRESA-N 257.487 4.740 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](OCC)c1ccccc1 158536967 LZGLHNFKFUAHLY-MSOLQXFVSA-N 277.452 4.842 30 10 CJEE CCCCCCCCCOc1c(C)cccc1CO 159602331 KUZBEYQNVVLJAY-UHFFFAOYSA-N 264.409 4.617 30 10 CJEE CCCCN(c1ccc(C(F)(F)F)c(C#N)c1)[C@H](C)CC 164445680 MRPAFRHTJHIOSP-GFCCVEGCSA-N 298.352 4.982 30 10 CJEE C=C(C)CC[C@H](NCCC)C(CC)(CC)N(CC)CC 164663802 VZUKRPUMOTYDQJ-KRWDZBQOSA-N 282.516 4.612 30 10 CJEE CCCCCCCCCCCCOCC[C@@H](C)N 165709789 HGISOGXQHNUHFZ-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE CCCCCOc1ccc(C#Cc2ccc(C#N)cc2)cc1 219732684 MSKPINJNSYNCCK-UHFFFAOYSA-N 289.378 4.527 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1CCC[C@@H]1N 226486528 QYTUEWWFBWGXFT-SJORKVTESA-N 281.484 4.994 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@@]2(O)CCC[C@H](C(C)(C)C)CC2)C1 227319182 QAPCIWCZAGLDSZ-MXSMSXNCSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H](C(C)(C)C)CC2)C1 227437501 DNUIUOBTOCKZER-TVFCKZIOSA-N 290.495 4.853 30 10 CJEE C[C@@H](CC1CCC1)Nc1ccc(C(F)(F)F)cc1C#N 229702371 RVTVBNWPBDGMMH-JTQLQIEISA-N 282.309 4.568 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCCC 231664420 JCCIBQICSYJXBE-KURKYZTESA-N 277.496 4.868 30 10 CJEE CCCCCCCCCCCc1nc([C@@H](O)CC)no1 231782777 WBTOCLVURVQCBB-AWEZNQCLSA-N 282.428 4.586 30 10 CJEE COC1(C(=O)C2=CCCCCCC2)CCC(C)(C)CC1 234688846 NLFSQFKIDOAIPD-UHFFFAOYSA-N 278.436 4.822 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C[C@H]2Cc3ccccc3S2)C1 252635360 FTSVFWYXJOXAGI-FRFSOERESA-N 271.429 4.814 30 10 CJEE CC(/C=C/c1ccccc1)=NNc1nc2ccccc2s1 254620812 YWYHDVNFWZBQQD-XJMYSSMLSA-N 293.395 4.798 30 10 CJEE CC(C)n1cc(CCC#N)c2c(C(F)(F)F)cccc21 259984354 JORZVGVGLFNPKA-UHFFFAOYSA-N 280.293 4.697 30 10 CJEE CC(C)n1c([C@@H](C)C#N)cc2c(C(F)(F)F)cccc21 260201546 YTBSGYZULFQBGC-JTQLQIEISA-N 280.293 4.868 30 10 CJEE Cc1cc(C2(C#N)CCCC2)ccc1OCc1ccccc1 260241239 AJRPCVCWHRFBLP-UHFFFAOYSA-N 291.394 4.909 30 10 CJEE Cc1nc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)oc1C 300272648 QZKVEKXBTRMUEV-BFHYXJOUSA-N 292.448 4.738 30 10 CJEE CC1(C)CCC(C#N)(C[C@H]2CCC(F)(F)C2)CC1 306062321 ZJJFZVHOPSDXNH-GFCCVEGCSA-N 255.352 4.922 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(C)cc2C)c1 308121447 KEKMSAXCZNYUIU-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE CC[C@](C)(C#N)c1c(Cl)ccc(Cl)c1Cl 308897415 JFTZUULUPCTASH-LLVKDONJSA-N 262.567 4.838 30 10 CJEE CC[C@@H](C#N)c1cc(F)c(Cl)c(Cl)c1Cl 309004275 SVSLYHGSROIXPZ-YFKPBYRVSA-N 266.530 4.803 30 10 CJEE Cc1cc(N)c(Cl)cc1Oc1cccc(Cl)c1C#N 311425394 FWSLJUJRNMNSIK-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2ccc3ccccc3n2)C1 312518549 BGPSLFYUEZXMTI-KSSFIOAISA-N 264.372 4.596 30 10 CJEE CCCCCCCCCCCCNC[C@](C)(O)C1CC1 312573964 VEUAVNKBGLNKDC-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2Cc3ccccc32)CC1 317297179 LVNIFFGFTZPJFH-RMXPPQQLSA-N 270.416 4.748 30 10 CJEE CCCCCCCCCC[C@@]1(C(=O)O)CCC=CO1 317353243 HUAXIDYAJHILEQ-INIZCTEOSA-N 268.397 4.665 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2c(Cl)cccc2Cl)C1 317787503 YJYJAZLKPKBOPR-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE C=C(CC)C[C@]1(CNCC(C)C)CCCC[C@@H]1C 318573757 WJOBQGXXRMFUDP-IRXDYDNUSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@H]1CCOC[C@H]1C 380323341 ZUKNJEZPVNEJGB-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE C[C@@H]1CN(CCCCCCCCCS)C(C)(C)C1 380380759 OMRIPUXRPXSTMI-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE C=CC(C)(C)CN[C@H](CCCC)c1ccc(F)cc1 384982280 QZBUNPGLOWOWHP-MRXNPFEDSA-N 263.400 4.859 30 10 CJEE C=CC[C@H](CNCC(C)C)Cc1ccc(C(C)C)cc1 386990747 OOVGWDNPZUWYHS-SFHVURJKSA-N 273.464 4.790 30 10 CJEE Cc1cc(Cl)ccc1N[C@H](CC#N)c1ccccc1 388359979 FACGDSVJZZEXJE-MRXNPFEDSA-N 270.763 4.715 30 10 CJEE C#Cc1cccc(NCC(c2ccccc2)c2ccccc2)c1 391585047 LBXKSPZISOBBPN-UHFFFAOYSA-N 297.401 4.912 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCSc2ccc(Cl)cc21 393788107 ZPDCVVFNNWUDCM-GXTWGEPZSA-N 281.852 4.821 30 10 CJEE CCCCCCCCCCCCN[C@H](CC)[C@H](C)O 395300613 KBGZTSPQHULGCX-DLBZAZTESA-N 271.489 4.656 30 10 CJEE CCCCCCCCCCN1CC[C@@H](N)CC(C)(C)C1 395952360 YZKKSCNFCAWGAH-QGZVFWFLSA-N 282.516 4.576 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)cc1F)C1CCCCC1 397164986 YTVHFVVKFSVSPG-LBPRGKRZSA-N 280.774 4.611 30 10 CJEE CC(C)CCCCCC/N=C1/N[C@](C)(C(C)C)CS1 398457063 ABHSJEJINMPPGR-INIZCTEOSA-N 284.513 4.700 30 10 CJEE CCCCCCCC[C@@H](CCC[C@@H]1CCOC1)NCC 400936767 KTDYCEPMKWSTCM-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCCCCCCCOC[C@H]1CCC[C@@H](NCC)C1 404039169 ICWNUVHKGRNJDB-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C=CCCc1ccccc1NCc1ncc(C(C)C)s1 500396681 KRNFBZHCCIDKMT-UHFFFAOYSA-N 286.444 4.997 30 10 CJEE COc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 575379519 GDXVJWZDFFGCRZ-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE CC[C@H](CC(F)F)C[C@@]1(C#N)CCc2ccccc2C1 688754822 MQLSPWNUOWRKJS-DYVFJYSZSA-N 277.358 4.757 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cnc(C(C)(C)C)s1 692240926 RLOMWWSONWDVHJ-ZFWWWQNUSA-N 292.492 4.665 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H](C)C1CCC1 692694255 OUTKNRGCSBGZBT-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CCCCCC[C@H](NCCC)C1C[C@H]2[C@H](C1)C2(F)F 693317848 BRYCKZYBMJSZNL-JYJNAYRXSA-N 285.422 4.782 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCC(F)(F)C1 695096055 LIPQOGKBBHXCDG-UONOGXRCSA-N 261.400 4.903 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](N)C(C)C 697208350 KONJLPDCRWMARR-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE C[C@H](NCc1cc2cscc2s1)c1ccc(C#N)cc1 703341303 NNKWXFDERALBOP-NSHDSACASA-N 298.436 4.685 30 10 CJEE CCCCCCCC[C@](C)(N)Cc1ccsc1 707522456 YUCMNDNYHPCAJP-HNNXBMFYSA-N 253.455 4.759 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C#N)CCc2ccccc21 709239656 XIKQCGHWZPZIQO-KDOFPFPSSA-N 255.405 4.857 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1CC(C)(C)OC1(C)C 711399035 LYJIWFKFETUMCM-CABCVRRESA-N 281.484 4.551 30 10 CJEE C=CC[C@H](C)C(=O)c1cc(C(F)(F)F)ccc1Cl 715732611 KTCCHQFQSYOONL-QMMMGPOBSA-N 276.685 4.754 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@]1(OCC)CCC[C@H](C)C1 715753331 NDELEXYBLSUHIZ-XLAORIBOSA-N 281.484 4.552 30 10 CJEE C=CCCCOCc1cccc(Cl)c1Br 719500194 SANJRMMZBFSUQQ-UHFFFAOYSA-N 289.600 4.585 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(Cl)cc2C)CC1 724568679 VORFVGGBOZSGDX-MRXNPFEDSA-N 263.812 4.785 30 10 CJEE C=C1CCC(Cn2cc(CO)c3ccc(Cl)cc32)CC1 724598303 GZFFZIRXQZUSNX-UHFFFAOYSA-N 289.806 4.533 30 10 CJEE N#CCc1c(Cl)ccc2cc(OC(F)(F)F)sc12 725286608 IBNCZORAVGBQFI-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=C1CCC(C(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 1124915343 HQAIVZVYGKRKKB-INIZCTEOSA-N 291.822 4.654 30 10 CJEE C#CCCCCCCNC1(c2ccc(F)cc2)CCCC1 1167975831 JKGBDYVFRMIDTK-UHFFFAOYSA-N 287.422 4.768 30 10 CJEE C=CCCCN(CC)Cc1cccc(Br)c1C 1176798291 NOGQRCWSUPPLLG-UHFFFAOYSA-N 296.252 4.546 30 10 CJEE C=CC(C)(C)CCCNCc1nc2ccccc2n1C(C)C 1179516393 YFJDHGTVWZRUMO-UHFFFAOYSA-N 299.462 4.699 30 10 CJEE CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@@H]2C2CCCCC2)n1 1185554819 FGBTXNHVLCWJHA-CVEARBPZSA-N 297.446 4.631 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)ccc1Cl 1201978956 UYJJZWFPLFZRIK-ZDUSSCGKSA-N 292.810 4.611 30 10 CJEE C=CCC[C@H](CC)N[C@@H](C)c1ccc(SC)cc1 1205548327 UEGXMJHNKCYZDB-ZFWWWQNUSA-N 263.450 4.804 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(Cl)c(OC)c2)C1 1205560981 GVYZVXCJUZHHSK-NWDGAFQWSA-N 265.784 4.505 30 10 CJEE C=C1CCC(C(=O)O[C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 1269817805 AFAVZQNYXIRABW-OALUTQOASA-N 298.426 4.921 30 10 CJEE C=C1CCC(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 1349641539 LFXMQLGNCUMFAF-HYVNUMGLSA-N 276.420 4.635 30 10 CJEE C=CCCC[C@@H](C)NC(=O)/C=C(\CC)c1ccc(C)cc1 1357587040 MTIWXLZLMZUXSE-WECAROLCSA-N 285.431 4.649 30 10 CJEE C=CCC1(NC(=O)c2ccc3ccccc3c2)CCCCC1 1436260706 LJKDSLQAMXVBNP-UHFFFAOYSA-N 293.410 4.849 30 10 CJEE C=CCC(C)(C)C(=O)N(C)c1ccc(CCCC)cc1 1457491882 RJZXCVDDYQQLCC-UHFFFAOYSA-N 273.420 4.594 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)c2cccc(C)c2)CCCCC1 1458226309 DFIAMCNMROLIGP-INIZCTEOSA-N 285.431 4.699 30 10 CJEE C=CCCCCOc1cc(Cl)c([N+](=O)[O-])cc1Cl 1459275866 UQRCPLPTRBWDPE-UHFFFAOYSA-N 290.146 4.637 30 10 CJEE C=CCC1(NC(=O)[C@@H](C)CC2CCCCC2)CCCCC1 1460095654 ZKQAPTDOWHSSIG-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=CCCc1ccccc1NCc1ccc(F)cc1F 1461461012 JOYPDQRRTQWMFP-UHFFFAOYSA-N 273.326 4.696 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1C 1461527213 BZYGSAJMWZSACB-CJNGLKHVSA-N 291.822 4.513 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC2(CCCCCC2)[C@H]1C(C)C 1462242044 GORGOFKWEINNDB-SJLPKXTDSA-N 291.479 4.796 30 10 CJEE C=CCCCCCSc1nc2ccccc2n1CC 1472907015 XQVNWEXKAWGWCD-UHFFFAOYSA-N 274.433 4.895 30 10 CJEE C=CCCCCCN(CC)c1ccccc1Cl 1473421607 PXZQVBWIOPJRON-UHFFFAOYSA-N 251.801 4.913 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC2(c3ccccc3Cl)CC2)C1 1474103150 WCHAKOCLBNIWPW-CABCVRRESA-N 289.850 4.706 30 10 CJEE C=CCC[C@H](CCC)NCC1CC(c2ccccc2)C1 1474476412 YDIXCAWMUSANLR-KVZIAJEVSA-N 271.448 4.905 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 1521667883 GBROLPVJIRMSQR-ISTRZQFTSA-N 291.822 4.510 30 10 CJEE C=C[C@](C)(CC)C(=O)NCC1(c2cccc(C)c2)CCCC1 1529210757 OKRVPHHAIYPBEL-LJQANCHMSA-N 299.458 4.525 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1ccccc1C(F)(F)CC 1535550721 KMHIQKUFSQEFCR-UHFFFAOYSA-N 281.346 4.729 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2c(C)oc3ccccc23)C1 1560431409 TYKLSQYARFXQQG-LSDHHAIUSA-N 269.388 4.576 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc2occc2c1 1560653628 XOTZVLZELHHPFB-UHFFFAOYSA-N 277.367 4.621 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@@H](Cc2ccccc2)C1 1560944821 KFGZMZWWXXHVRU-ROUUACIJSA-N 271.448 4.590 30 10 CJEE C=CCCC[C@H](C(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 1587537029 FOKGSGVYHMKSPJ-FHWLQOOXSA-N 299.458 4.535 30 10 CJEE C=C(CC)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 1596664101 AHWWPACRJRHPLR-INIZCTEOSA-N 291.822 4.654 30 10 CJEE C=CCC[C@H](NCc1ccccc1NC)c1ccccc1 1620868757 ONYHQTUGJMRTBL-IBGZPJMESA-N 280.415 4.525 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2CCC(C)CC2)c1 1628030817 DGISZDLGDRTLSG-UHFFFAOYSA-N 286.419 4.668 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC[C@@H](C)[C@H](C)C1 1635814404 IBBWMFXMMBDPMA-IAGOWNOFSA-N 294.483 4.591 30 10 CJEE C#CCCCCCCN(c1ccccc1)C1CCC1 1644132921 IFIZKGMRPAZRAA-UHFFFAOYSA-N 255.405 4.629 30 10 CJEE CCCCCCCCN1CCCSC[C@H]1C(F)(F)F 1655059223 KTPJDBGLPVOJBQ-ZDUSSCGKSA-N 297.430 4.717 30 10 CJEE C=CCCC1(CNCCc2ccc(Cl)cc2)CCCC1 1658542366 QJXKIJMVFPDJBK-UHFFFAOYSA-N 291.866 4.999 30 10 CJEE C=CCCCCNCc1cccc(COc2ccccc2)c1 1662284937 SLXMVPOJKYMBHX-UHFFFAOYSA-N 295.426 4.712 30 10 CJEE C=CCCC1(CNC(=O)NC2CCCCCC2)CCCC1 1681664478 KMWIKTGSHYXKFB-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE N#CCc1cccc(F)c1-c1ccccc1C(F)(F)F 1848368686 RZTOGAXLMWPNHJ-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CC1(C)CCC[C@](C)(Nc2ccc(C#N)cc2Cl)C1 1877822965 LLODIFYRJXLLMD-INIZCTEOSA-N 276.811 4.982 30 10 CJEE CC#CCCCC[C@H](NCCC)c1ccc(Cl)cc1 1879646198 CUBKUUDQTJLIJF-KRWDZBQOSA-N 277.839 4.964 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCc3ccccc32)CCCSC1 1879873789 ULXYFXQROWVORT-RDJZCZTQSA-N 271.429 4.534 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@H]1CCC2(CC2)C1 1885235410 HBHRVZZNGRINRU-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1cnc(C(F)(F)F)s1 1886958706 WBVJYMPQWZNNKV-LBPRGKRZSA-N 290.354 4.815 30 10 CJEE C=C(C)C[C@@H](C[C@H](C)COCc1ccccc1)NCCC 1891120126 NZTDRJYNKVCVFX-HKUYNNGSSA-N 289.463 4.564 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)Cc1ccc(Cl)cc1 1919401436 HYMRIFCKWJJHIZ-QGZVFWFLSA-N 296.838 4.563 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](C[C@@H](C)CC)NCC 1921147137 TWFHCWQAOSYITD-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE C=C([C@@H](NCCC)c1csc(C(C)C)n1)[Si](C)(C)C 1922988402 PIEHQIOYVXTYAC-CQSZACIVSA-N 296.556 4.741 30 10 CJEE CCC(CC)CCN=C1NC2(CCCCCCC2)CS1 1926114725 KEHQQAINNOREDP-UHFFFAOYSA-N 296.524 4.988 30 10 CJEE CCC=CC[C@@H]1O[C@@H]1CC=CCCCCCCCC(=O)O 1933314822 BKKGUKSHPCTUGE-DLBZAZTESA-N 294.435 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CC[C@@H]1CCC[C@H]([C@@]2(C#N)CCS[C@@H](C)C2)C1 1997349628 BSIAQACEIPKELM-XGUBFFRZSA-N 251.439 4.628 30 10 CJEE CCCC[C@](C#N)(CC)c1nccc(C)c1Br 2000516892 YWQIYEFOIXWKQO-AWEZNQCLSA-N 295.224 4.514 30 10 CJEE N#CC1(Cc2snc(Cl)c2Cl)CCCCCC1 2002134554 UUVUCRYWBCPRHR-UHFFFAOYSA-N 289.231 4.857 30 10 CJEE C=CCCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 2018384168 IUBGKQIHYLMPIJ-QGZVFWFLSA-N 292.231 4.755 30 10 CJEE CCCCC#CCNc1cc(Cl)c(C)c(Cl)c1 2024344272 GSDYHVFRXFOPCT-UHFFFAOYSA-N 270.203 4.907 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccccc1C(C)C 2027517718 KCVMXLNNTFIFJF-INIZCTEOSA-N 265.828 4.993 30 10 CJEE CCCCCCCC[C@H](NN)c1csc(CC)c1 2029240104 TZKUUSDZHMUFPX-HNNXBMFYSA-N 268.470 4.566 30 10 CJEE N#CC1(CC2CCC=CCC2)C[C@@H]2CC[C@H](C1)S2 2029279098 JWQJMWGTDJVJFC-XYPWUTKMSA-N 261.434 4.691 30 10 CJEE C=C1CC(CN[C@H](c2cccs2)C2CCCC2)C1 2029672770 UZLFXMBEWHOPRB-INIZCTEOSA-N 261.434 4.535 30 10 CJEE Cc1sc(Cl)cc1[C@@H](C#N)Nc1ccccc1F 2036887696 BKKFIALBLWHUNZ-GFCCVEGCSA-N 280.755 4.526 30 10 CJEE 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C=CCC[C@@H](C)[C@@H](CCCC(C)(F)F)NCCC 2222284391 WEKJQGDYHADXLJ-ZIAGYGMSSA-N 261.400 4.782 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCC2CCC2)C1 2222828974 QCDHLWPQMWIKPU-RRFJBIMHSA-N 265.466 4.874 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(F)c(Cl)c1)NCCC 2225121647 PAQXSQHFLYIQCO-WBMJQRKESA-N 283.818 4.602 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225310376 FAKJJSQKZRBDBX-AVEIZBFRSA-N 263.469 4.783 30 10 CJEE CC1(C)CCC[C@@]1(C=O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225362890 YLHFKQQLZPPNQK-LHHMISFZSA-N 262.437 4.988 30 10 CJEE C#CCCN(CCCCCCC1CC1)C1CCCC1 2225736214 NKSLOCPHVKBZPD-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC=CCC1 2230659559 MSRMUMONCBMMHO-XMTFNYHQSA-N 260.421 4.908 30 10 CJEE CCCCCCCCCO[C@H]1CCC(C)(C)[C@H]1NC 2230993672 GWUDBBGJPOTZKB-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCO[C@@H](C)CNC1CCCC1 2231013944 CCOFGPNRPULKHY-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCOC[C@H](NC)C1(C)CC1 2231027042 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2239738455 FJGITIFQSSPUTE-UHFFFAOYSA-N 282.770 4.527 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CCC[C@@H]1CCO2 2240640342 PFSMQGQQCVUZDQ-KSZLIROESA-N 281.484 4.674 30 10 CJEE C=CC[C@H](C)C(=O)c1scc(Br)c1Cl 2241252447 RSISKLMELHFWGV-LURJTMIESA-N 293.613 4.559 30 10 CJEE C[C@@H]1CC[C@H](CS[C@@H]2CCCCC[C@@H]2C#N)C1 2248418307 OQLUVLHTHUPPEB-LXTVHRRPSA-N 251.439 4.628 30 10 CJEE CCCC[C@](C)(C#N)Cc1ccc(Cl)nc1Cl 2249830217 XLHHTQLQTLCPKY-ZDUSSCGKSA-N 271.191 4.651 30 10 CJEE C=CCCCCCCCS[C@@H](C)[C@@H](C)NCC 2250064683 FOAGAMZWTBTVRD-CABCVRRESA-N 257.487 4.633 30 10 CJEE C=CCCCCCCCSCC1(CC#N)CC1 2250065869 SHDTXLZLPCZPQZ-UHFFFAOYSA-N 251.439 4.940 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(C)ccc1Br 2250168085 YTCQFQBQXKFKBD-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE N#Cc1sccc1CNc1ccc(Cl)c(Cl)c1 2252635489 OFTKAUPWKDHSGT-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@]1(C=O)CCCC1(C)C 2257305258 UHXSWQGDPSIZRO-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCSC[C@@H](N)C1CCCC1 2259060770 PXHMYTHWRGDKAM-MRXNPFEDSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ccc(Cl)cn1 2259196606 MALZCMBOGYDQCN-CQSZACIVSA-N 266.816 4.522 30 10 CJEE O[C@@H](C#CC1CCCCC1)c1ccc(Cl)cc1Cl 2261040692 GDVQTHNPITULDD-HNNXBMFYSA-N 283.198 4.611 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2cc(OC)ccc2Cl)C1 2268973628 AUBRKHNGJHGRCL-LRDDRELGSA-N 277.795 4.611 30 10 CJEE C=CCCSc1ccc([C@@H](C)NC)c(C(F)(F)F)c1 2271494024 GWTIXGOHDUHWSR-SNVBAGLBSA-N 289.366 4.654 30 10 CJEE CCCCCCCNc1cnc(C(F)(F)F)c(C)c1 2272556028 SSSBLYPHIBYWDR-UHFFFAOYSA-N 274.330 4.791 30 10 CJEE C=CCCCCCCCOCCNCCC(C)(C)C 2274156282 HOWNASZWZVNOLM-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1cc(C)cs1 2275647359 FUQUWCCNTYBLEI-ZDUSSCGKSA-N 284.421 4.559 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(Cl)c(C)cc1OC 2277990428 KLHKAMAYZWHJJA-NHYWBVRUSA-N 281.827 4.520 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@H](C2CC2)CCO1 2278126397 CSCAKXFVQOGEOY-DLBZAZTESA-N 267.457 4.632 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CO)C(C)(C)C 2278236001 PIHQLSUPSFJTAJ-HZPDHXFCSA-N 271.489 4.512 30 10 CJEE CC[C@H]1CCC[C@@H](CNc2c(F)cccc2C#N)CC1 2280479502 BSZPDTGWFAPZPR-UONOGXRCSA-N 274.383 4.716 30 10 CJEE N#CCc1ccc(CSC[C@@H]2CCCCC2(F)F)cc1 2283107096 LKWOZSLXMIDPRC-HNNXBMFYSA-N 295.398 4.811 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cccc(OC)c1Cl 2283311248 NOTQIFKKQSKKKM-OAHLLOKOSA-N 293.838 4.583 30 10 CJEE CC(C)(C)C#CC=CC[C@]1(N)CCC[C@@H](C(C)(C)C)C1 2284085411 DHOHNWLLXLOPAV-APWZRJJASA-N 275.480 4.916 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(F)cc1Cl 2284091416 UFRYLHLHDGJPER-QGZVFWFLSA-N 293.813 4.649 30 10 CJEE CCc1ccc([C@@H](C)NCC=CC#CC(C)(C)C)cc1 2284182975 LIPAKBKKFDDEBZ-MRXNPFEDSA-N 269.432 4.505 30 10 CJEE C=CCCCCCCCSCC[C@@H]1CCC[C@@]1(N)C#N 2287094559 QNDRGFBZQHIFNF-DLBZAZTESA-N 294.508 4.657 30 10 CJEE C=CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC 2287196504 WHVHYNIBSFTLIG-RCCFBDPRSA-N 289.488 4.610 30 10 CJEE C=C(C)CCCC[C@]1(CNCCC)CCC[C@H](OC)C1 2287384984 MEUOJGRSIWTKDU-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCc2ccccc2C1 2287467854 QONWBMPMYDQHRJ-MOPGFXCFSA-N 271.448 4.516 30 10 CJEE CCC[C@](C=O)(CC)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1 2287671641 ACPFEVCHRNLUGB-LZLYRXPVSA-N 281.484 4.528 30 10 CJEE Cc1ccc(C[C@]2(C=O)CCCC(C)(C)C2)c(F)c1F 2289651780 VZPJSJNDTIHKKU-QGZVFWFLSA-N 280.358 4.601 30 10 CJEE CN[C@H](C#CC1CCCC1)C1CCC(C(C)(C)C)CC1 2289696526 WETGYDCCVSIIAG-DAWZGUTISA-N 275.480 4.621 30 10 CJEE Cc1cccc(N[C@@H]2CC(C)(C)CCC2(C)C)c1C#N 2290270822 PYDBFHDWKLLESU-MRXNPFEDSA-N 270.420 4.884 30 10 CJEE CC=C(C)[C@H](CCCCCCCCC)OCCC(=O)O 2291021349 WCBHNIMNDRHWGU-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCCC[C@@](C)(OCCC(=O)O)c1cccs1 2291448600 XJCRZBFGZMXDDK-MRXNPFEDSA-N 296.432 4.591 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(OCCC(=O)O)[C@@H](C)CC(C)C 2291625924 ZHYHRFSGXRRSER-GUYCJALGSA-N 284.440 4.521 30 10 CJEE CCCCCCC[C@H](C[C@]12CCC[C@@H]1C2)OCCCN 2292844930 BJJLAPSXINOHHJ-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCC[C@@H]1C)OCCCN 2293019131 LWTCIXNLRCDDNC-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@H](CC1CC(C)(C)C1)OCCN 2293107967 WZTZCWDVFCEEOX-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@@](C)(OCCN)C(C)(C)C(F)F 2293375376 SCHMVEDKPYJQNZ-MRXNPFEDSA-N 293.442 4.762 30 10 CJEE CCCCCCC[C@H](OCCN)C(C)(C)C1CCCC1 2294365591 BQDCFHZSVLDPFL-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE CCCCCCCCC1(OCCCN)C[C@H]2CC[C@@H]2C1 2294569272 WTTXYDCSZGNOOL-IAGOWNOFSA-N 281.484 4.661 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCc2ccsc2C#N)c1 2294715763 VLGZFPRBNLJARV-UHFFFAOYSA-N 285.412 4.805 30 10 CJEE CC1(C(=O)C#Cc2ccccc2Cl)CCC2(CC2)CC1 2295217030 OHQQCWOJTNDDFM-UHFFFAOYSA-N 286.802 4.621 30 10 CJEE O[C@@H](C#Cc1ccccc1Cl)c1ccc2sccc2c1 2295219888 RSUJSMYCBHJWCC-INIZCTEOSA-N 298.794 4.640 30 10 CJEE CCCCCCCCc1sc(N)c(C(=O)OCC)c1C 2295674840 VXFXABQHBFZLCS-UHFFFAOYSA-N 297.464 4.718 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](N)CCN1CC(C)C 2295677779 DRDVEXPPOJKDPB-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE C=CCC[C@@](C)(N)Cc1ccc(Cl)c(Cl)c1C 2301115698 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GPPSJSAIIATPMM-OCCSQVGLSA-N 261.400 4.768 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)[C@H]1CCC[C@H](C)C1 2321112189 CYICGYKXDCAMFC-NXOAAHMSSA-N 251.458 4.783 30 10 CJEE C#CCCCCCCCOc1cc(Cl)sc1C=O 2327848611 RLBQQAXSRWYHED-UHFFFAOYSA-N 284.808 4.567 30 10 CJEE C#C[C@H](C)[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327869509 TVXTWGBMDKYEPL-NHYWBVRUSA-N 284.230 4.612 30 10 CJEE CC#CCCCOc1ccc2ccccc2c1Cl 2327920371 DSEGRPRAYVZYHP-UHFFFAOYSA-N 258.748 4.676 30 10 CJEE C[C@H]1CCCCC1=NOC(=O)c1ccc(C(C)(C)C)cc1 2329921470 OTIQLHKJAYZDJG-ZDUSSCGKSA-N 287.403 4.707 30 10 CJEE CC1CCC(CSCc2ccc(C#N)c(F)c2)CC1 2335357282 ZUSSMRNFMHZEOW-UHFFFAOYSA-N 277.408 4.757 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1ccnc(C(C)(C)C)c1 2337083864 FGGXUZSEBZNMNS-DZGCQCFKSA-N 258.409 4.536 30 10 CJEE C=CCCC(C)(C)Nc1ncc(C)cc1C(F)(F)F 2338004692 IUURPSZRTJMICR-UHFFFAOYSA-N 272.314 4.566 30 10 CJEE CCC[C@H](CC(C)C)[C@H](C#Cc1cccs1)NCC 2338392389 FVOWIQSUFGMSGF-WBVHZDCISA-N 277.477 4.540 30 10 CJEE CC(=CC[C@@]1(C#N)CCCOCC1)CCCC(C)C 2338442709 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CCCCCCCC[C@@H](NCC)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358465779 MLFUGFQHLVBONX-WNRNVDISSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)S[C@H](C(C)C)[C@@H](N)c1ccccc1 2360203500 ZJQQDMRBCURWCZ-ZWKOTPCHSA-N 289.488 4.965 30 10 CJEE Cc1ccc(/C=N/c2oc(C)c(C#N)c2C(C)C)cc1 4566122 QSNVMUNHKOEBBV-VXLYETTFSA-N 266.344 4.642 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1cc(C#N)ccc1F 20023878 UGXMKRBWIIUSCC-XCRHUMRWSA-N 289.394 4.675 30 10 CJEE N#Cc1ccccc1Nc1cc(Cl)ccc1Cl 20547256 SYYNHMIZUDKAKP-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CCCc1ccccc1N[C@H](C)c1ccc(C#N)cc1 36974604 SEJYISOVTUXWDC-CQSZACIVSA-N 264.372 4.684 30 10 CJEE N#CCCCCOc1ccc(Cl)c2ccccc12 42206137 AHVOOXIWHIQHHF-UHFFFAOYSA-N 259.736 4.566 30 10 CJEE Cc1ccc(Cl)cc1/N=C1/NC2(CCCCC2)CS1 53097781 JJFQFKQWZOZMNW-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE Cc1cccc(C)c1OCCC[C@H](C#N)c1ccccc1 57684461 BJQMWKWMNGGGLL-GOSISDBHSA-N 279.383 4.770 30 10 CJEE CCc1cc([C@H](C#N)Cc2ccccc2Cl)ccc1OC 57724251 WROYFSSVRXWCLP-INIZCTEOSA-N 299.801 4.761 30 10 CJEE CCCCCCCCCOc1ccc(OC)cc1C(=O)O 59167891 GZBXLALNMSYFCL-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CCCCCCCC(=O)[C@H](C#N)c1ccc(C)c(OC)c1 59211543 AOFBTDWRBDUTJL-MRXNPFEDSA-N 287.403 4.540 30 10 CJEE C=CCc1ccccc1OCCCCCCNC(C)(C)C 71291450 HQINPBRKRFWNQB-UHFFFAOYSA-N 289.463 4.742 30 10 CJEE CC(C)Oc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086257 PDJFUKCGVYKIDV-UHFFFAOYSA-N 295.260 4.624 30 10 CJEE Cc1ccc(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)c1 83194301 LGSIDCQTDVKPRJ-MDZDMXLPSA-N 275.351 4.681 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(Br)cc2)C1 87996788 JVOOMYLOKSEYPR-SWLSCSKDSA-N 292.220 4.712 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCC[C@@H]1O 91323653 XKSBPQGIFRKKCO-MSOLQXFVSA-N 283.500 4.658 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCCC[C@@H]2C(C)(C)C)C1 91876158 IIXSACUSTYPJSN-LMSBXDPUSA-N 277.452 4.674 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C2(O)CCC(C(C)C)CC2)C1 91878729 STCCBTQDQAOCAX-ZLZJIPBDSA-N 277.452 4.674 30 10 CJEE CC(C)(C)C[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884980 NEEZOQKQUMTBDU-UUCFBXCCSA-N 265.441 4.530 30 10 CJEE CCCc1ccc(OCC(CC)(CC)CS)cc1 94585129 HTFKVGOEWQYPGW-UHFFFAOYSA-N 266.450 4.754 30 10 CJEE SCC1(COCCCc2ccccc2)CCCCC1 94585719 HJHIHISFCDHHJF-UHFFFAOYSA-N 278.461 4.516 30 10 CJEE O=C(C1=CCCCC1)c1cccc(C(F)(F)F)c1F 94598746 PBRKGMFTCBDGOQ-UHFFFAOYSA-N 272.241 4.528 30 10 CJEE COc1ccccc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103029836 VKRYTDPVVLBGDU-SEYXRHQNSA-N 295.382 4.627 30 10 CJEE CCCCCCC[C@@H](CN)N(C)C1CCC(CC)CC1 110020646 BMLKAWCOAODTPU-ABHNRTSZSA-N 282.516 4.575 30 10 CJEE CCCCCCCOC[C@@H](NC)c1c(C)cc(C)cc1C 110081461 CSEHEYGINPNHHB-GOSISDBHSA-N 291.479 4.859 30 10 CJEE CCCCCCCCO[C@@H](CNCC(C)C)C(C)C 110171157 RIIDOQDLFXSHQU-KRWDZBQOSA-N 271.489 4.634 30 10 CJEE CCc1cccc(C)c1Nc1ccc(C#N)c(Cl)c1 110250758 QBKDXHIIGZJBLS-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCCCCN1c2ccccc2CC[C@H]1CN 111236319 ZNFHKTOEEFIMSA-SFHVURJKSA-N 288.479 4.517 30 10 CJEE CCCCCCCN1CC2(CCCCC2)NC[C@@H]1CCC 114069148 WKCXMKIWQHODOE-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC(=O)N1CCC[C@H]1c1ccco1 116043242 CZGSOVJZOZUYBQ-HNNXBMFYSA-N 277.408 4.694 30 10 CJEE C#CCCC[C@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NC 122909455 MIEKUEPUIMXKBK-OSVATCMCSA-N 287.491 4.765 30 10 CJEE C=C(CC)COc1cccc(Cl)c1CNC(C)(C)C 127886244 BBXLTZGMTQDRFY-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE CCCCCCCCCCN1CC[C@@H](C)N[C@H](CC)CC1 129454021 BHMOVHYZBMBADI-RTBURBONSA-N 296.543 4.980 30 10 CJEE C#CC[C@H](CC)NC(CCCCC)CCCCC 129742281 IZADMIFVOTVXMP-INIZCTEOSA-N 251.458 4.907 30 10 CJEE COc1cc(C#N)ccc1N[C@@H]1CCC[C@H](C(C)C)CC1 129809548 JCRYESQKOGZHDI-JKSUJKDBSA-N 286.419 4.584 30 10 CJEE C[C@@H]1/C(=C/c2ccc(Cl)cc2)C(=O)[C@H]2C[C@H]1C2(C)C 136960115 UEBBGXDEQGNQRK-HSRXZUQZSA-N 274.791 4.605 30 10 CJEE CCCCCCCCNc1nc(Cl)ncc1Cl 147278075 ZXUSNKBWCUKFLJ-UHFFFAOYSA-N 276.211 4.556 30 10 CJEE C=C(CNc1cccc(OC(F)(F)F)c1)c1ccccc1 148009935 ILJVTTZNQUUUCJ-UHFFFAOYSA-N 293.288 4.711 30 10 CJEE C=C(CNc1ccc(OC(C)C)cc1)c1ccccc1 148011693 JLENXZASBQZTJT-UHFFFAOYSA-N 267.372 4.599 30 10 CJEE C[C@@H]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 158343172 ZEGCOVNZGJZVEH-NEPJUHHUSA-N 296.336 4.815 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)CC1CCCCCC1 162025036 MSPQLVVPQBWRKU-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE CCCCCCCCC[C@H](NN)C1CCCCC1 167226168 CVKUSFJMNAARPM-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)CCCN2 167454044 KNSKKOATPSEFFX-UHFFFAOYSA-N 273.420 4.978 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CC[C@@H](C)O1 229148838 FILYFCFVKFZMDR-IXDOHACOSA-N 269.473 4.673 30 10 CJEE CCCCCCCCOc1cccc2c1CCCN2 231099230 HNFDRJFXZVEHHT-UHFFFAOYSA-N 261.409 4.784 30 10 CJEE Cc1ccc(C#N)cc1Oc1c(Cl)cc(N)cc1Cl 232310258 LEHHSKGWLXBIEO-UHFFFAOYSA-N 293.153 4.548 30 10 CJEE CCCCCCC[C@@H](C)NCCc1cccc(OC)c1 232929105 BVXAYHPVMUXMKF-MRXNPFEDSA-N 277.452 4.576 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](CCC)OCC 233124340 YIPWAZKKSDSHJH-DLBZAZTESA-N 269.473 4.696 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(Cl)cc1)NC 234426674 ZKRUPFDYHREZQB-INIZCTEOSA-N 265.828 4.607 30 10 CJEE Cc1ccc2cc(C(=O)C=C3CCCCC3)ccc2n1 235995384 LTCHMVYPEGVMOM-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE C=CCCCCCNc1c(F)cc(F)cc1Cl 236171525 WDIXUDACBAACMU-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE O=C(C1=CCCCC1)c1cc2cc(F)ccc2s1 236215892 WUMYZJLTESFWMM-UHFFFAOYSA-N 260.333 4.724 30 10 CJEE CCC(=NO)c1ccccc1O[C@H]1CCCC[C@@H]1CC 252461503 IEJAZZFSJCAEPK-BBRMVZONSA-N 275.392 4.623 30 10 CJEE CCC[C@@H]1CCN([C@@H]2C[C@@H](C(C)(C)CC)CC[C@H]2C#N)C1 252866253 QFUJHAOGDOJJIK-VSZNYVQBSA-N 290.495 4.853 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H]1CCO[C@H]1CC 300614257 TWKVXWGOWFVOQS-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE N#Cc1cc(NC(C2CCC2)C2CCC2)ccc1Cl 311568996 FGGWIFRRGIXQKC-UHFFFAOYSA-N 274.795 4.592 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H]2C[C@@H]2c2ccccc2)C1 311583376 VEOHRGNBZCHDQA-BGTYHANMSA-N 253.389 4.900 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCCC2(F)F)CCc2ccccc21 382230978 VHCMGSISPJBVDU-HOCLYGCPSA-N 275.342 4.610 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1Cc2ccccc2S1 386747458 FXOQTZCBCDVKLN-ZBFHGGJFSA-N 289.488 4.674 30 10 CJEE CC(C)c1cnn([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 402070347 MXCAOLWVSPFUKM-VNQPRFMTSA-N 273.424 4.534 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CCCc1ccccc1 466429340 XMGXQWSFUXSKCA-IEBWSBKVSA-N 299.458 4.603 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cccc(C(F)F)c1Cl 467922488 XJNVGRMTWGQQOQ-CQSZACIVSA-N 287.737 4.818 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@@H](C)c2c(F)cccc2F)no1 558335259 MPRHMQPDTJBSLW-MNOVXSKESA-N 292.329 4.569 30 10 CJEE C#CCCCCC[C@H](O)c1csc2ccccc12 686682647 GNONMJZAWAIGFA-HNNXBMFYSA-N 258.386 4.518 30 10 CJEE C/C(=C/Cl)CC1(C=O)CC(C)(C)CC(C)(C)C1 687987330 NCGDUQZORKYFAE-GHXNOFRVSA-N 256.817 4.941 30 10 CJEE CO[C@@H]1CCC[C@H](C2(C#N)CC(C)(C)CC(C)(C)C2)C1 688339006 SEEDFMIDGOGVCI-LSDHHAIUSA-N 277.452 4.938 30 10 CJEE N#CC1(Nc2ccc(Cl)cc2)CC(c2ccccc2)C1 690700543 GNPXEDLBGVOQMS-UHFFFAOYSA-N 282.774 4.592 30 10 CJEE C=CCC1(Nc2cc(Cl)c(Cl)cc2N)CCCC1 690734406 CAWRGNDIGOQOMQ-UHFFFAOYSA-N 285.218 4.876 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1F 691161404 ALECSIKMVWTNCJ-HOCLYGCPSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H](CC)CCCC 692202834 CCTXMTSBJBYOLA-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(Cl)cc1C#N 695702666 AMSBTIQNFQTFKC-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@H]1CCCC[C@@H]1C1CC1 695870145 GXJNVXIGLIJVQK-ZBFHGGJFSA-N 288.822 4.617 30 10 CJEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 698981313 NIVDOVLOIVPSHY-QGZVFWFLSA-N 294.439 4.639 30 10 CJEE CC(C)[C@@H]1CN/C(=N/CC2CC(C)(C)CC(C)(C)C2)S1 699566228 KXAUUIPZNKRIEM-AWEZNQCLSA-N 296.524 4.556 30 10 CJEE C=CC(C)(C)CCNc1nc(C(C)C)nc(Cl)c1C 701883503 XTMFBRLIWPFSDZ-UHFFFAOYSA-N 281.831 4.576 30 10 CJEE CCCCCCCCC1(N)CCC(CSC)CC1 704459342 LFIPHKPHIKKJKL-UHFFFAOYSA-N 271.514 4.988 30 10 CJEE C=CC[C@H](CC)NC1CCC(C)(c2ccccc2)CC1 705454616 ASFJHQJLFWYMOY-VIQWUECVSA-N 271.448 4.831 30 10 CJEE CCCCCCCC(=O)c1ccc(C(F)(F)F)nc1 707736995 ZMHBKIQHWRNPET-UHFFFAOYSA-N 273.298 4.644 30 10 CJEE CC[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)C(C)(C)C 711086025 ZATWKSCPEZTVSR-GFCCVEGCSA-N 292.810 4.613 30 10 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2231016099 SLFUIAPQUGJDTH-SJORKVTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCOCc1cc(C(=O)O)cs1 2231029740 CDRHBZXZYRXQKO-UHFFFAOYSA-N 284.421 4.714 30 10 CJEE CCCCCCCC[C@@](C)(CNC(C)(C)C)OCC 2231858126 VPLKWSMNUAYNDH-KRWDZBQOSA-N 271.489 4.920 30 10 CJEE C#CC[C@@H](CN[C@@H](C)CCCCCCCC)C1CC1 2231935705 VJILIWIQCGOCIJ-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCCOC[C@@H](NCC)C1CCC1 2234047210 GKXJAWQDSPBKDF-GOSISDBHSA-N 281.484 4.698 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NC)c1scc(C)c1C 2234304871 CWDGIHYNBRISSS-HZPDHXFCSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@H]1CC2(CCCC2)CO1 2235514324 SNDUEPKWXVSRCL-IAGOWNOFSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@H](O)c1ccsc1 2235523889 KIPFFGQQLYSYBD-IAGOWNOFSA-N 295.492 4.676 30 10 CJEE C=CCCCCCCC[C@H](CCCN(C)C)NCCC 2235525011 WSXIZVOJVGWXJU-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCC[C@@]1(CNC)CCCOC1(C)C 2235532517 LGACGXCIEQOXLX-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCOC[C@@H]1CC[C@H]1CNCC 2237255659 BOVQAISKPUDAGP-ROUUACIJSA-N 281.484 4.555 30 10 CJEE C#CCCN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(C)(C)C 2238901727 KBHWDMNFAVBWMP-FGTMMUONSA-N 275.480 4.717 30 10 CJEE CN[C@](C)(C#N)CCCCSCCCCCCC1CC1 2239361480 ZWKFRPOGTBDVKN-KRWDZBQOSA-N 296.524 4.752 30 10 CJEE CCCCCCCCCO[C@H]1CCCC2(CCC2)[C@H]1O 2239543310 IPBBVSGTIRGKMU-IRXDYDNUSA-N 282.468 4.837 30 10 CJEE C=CCN(CCC)c1c(Cl)cccc1CN[C@H](C)CC 2240073105 QXABYBGHDMGCFR-CQSZACIVSA-N 294.870 4.631 30 10 CJEE CCCCCCCC[C@@H](C)Nc1ccc2cncn2c1 2240638650 WOEYLJXNPKJPAP-OAHLLOKOSA-N 273.424 4.885 30 10 CJEE CCCCCCCC[C@@H](C)NCCCc1cccnc1 2240640110 NAPCVHGOJOTXAJ-QGZVFWFLSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@@H](C)NCc1nccn1CCC 2240658429 SFMSMDWFFMMVEA-MRXNPFEDSA-N 279.472 4.522 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@]1(O)CCCC1(C)C 2240659027 ZPOVWZCDVBRNSW-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE C=C(CC)Cc1c(F)c(F)c(Br)c(F)c1F 2243478317 XASJIRNXJKXSFH-UHFFFAOYSA-N 297.089 4.514 30 10 CJEE C=C(C)CCCCOc1cccc(C)c1Br 2246092219 RWUPVGQVZMGSBA-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE FC1CC(CS)(CSCc2ccc(Cl)cc2)C1 2247173677 DDCGVVBXXYHMQA-UHFFFAOYSA-N 290.856 4.621 30 10 CJEE CCCCCCCC[S@](=N)(=O)CCCCCC 2252960814 BEWYCXPELLAKDK-QGZVFWFLSA-N 261.475 4.974 30 10 CJEE CCCCCCC[C@](C)(O)C1CC2(CC(C)C2)C1 2254460950 BNILYCURXQSXIS-PYCMUAIMSA-N 252.442 4.924 30 10 CJEE CCCCCCCN(C)Cc1ccc(C)cc1F 2255439923 FGZFDIGGFHPXEW-UHFFFAOYSA-N 251.389 4.536 30 10 CJEE C=CCCSc1ccc(CN[C@@H](C)CC)cc1C 2258992152 MPAUHWPTMJOYBB-AWEZNQCLSA-N 263.450 4.551 30 10 CJEE C=CCCCSc1ccc(F)cc1[C@@H](C)NCC 2259046391 QTYKWEATHPWCAB-GFCCVEGCSA-N 267.413 4.555 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1sc(C)nc1C 2259193063 ARGOFKIKFHJMHM-CQSZACIVSA-N 266.454 4.547 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 2259235483 POTCNUKESQSZBS-CQSZACIVSA-N 287.234 4.634 30 10 CJEE O[C@H](CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2261167705 LKPFRPPXMPUQNM-OAHLLOKOSA-N 283.198 4.611 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(C(F)(F)F)s1 2263310163 LHWPYUYUIKDPMZ-VIFPVBQESA-N 297.773 4.950 30 10 CJEE CC1CC(CS)(CO[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 2265299145 HRZDBICXNGKRAB-ILZRDFNYSA-N 282.493 4.708 30 10 CJEE CCCCCC#CC[C@@H](C[C@H]1CCCC12CC2)NC 2266596866 SMGNGASEOSOKOC-SJORKVTESA-N 261.453 4.519 30 10 CJEE C=C1CC(C[C@H](NCC)c2ccc(CCC)cc2)C1 2268205406 JDKAQMAAKQQPFY-SFHVURJKSA-N 257.421 4.646 30 10 CJEE CCC[C@@](O)(CC=CC#CC(C)(C)C)[C@H]1CC1(C)C 2268736742 NWFTUMLMGLPUNV-MAUKXSAKSA-N 262.437 4.560 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc2cscc2s1 2268769553 ORMIUKGNFMOMSE-ZDUSSCGKSA-N 289.469 4.958 30 10 CJEE C=CCCCCCCCSc1ccccc1C(=N)N 2271492142 NAZIDVLHPIDBNS-UHFFFAOYSA-N 276.449 4.589 30 10 CJEE C=C(C)CCCC[C@H](N)C1(c2ccccc2)CCC1 2271781438 OXJVAAJCYKPOHN-KRWDZBQOSA-N 257.421 4.572 30 10 CJEE C=C(C)CCCC[C@H](CCc1ccco1)NCCC 2271784395 FGLLNFNOICTTCA-MRXNPFEDSA-N 263.425 4.717 30 10 CJEE C#C[C@@H]1CCCCN(CC[C@@H](C)CCCC(C)C)C1 2272296157 DQXCFAHBLFBOGR-ZWKOTPCHSA-N 263.469 4.574 30 10 CJEE CCC[C@H](CS)CN(C)[C@@H]1CC(C)(C)CCC1(C)C 2274550759 RRYLOTNQEQYIGO-LSDHHAIUSA-N 285.541 4.869 30 10 CJEE CCCCCCCCC[C@@H](OCCN)C1CC(C)C1 2276932434 HRAXMMIGCWJDDW-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H](C)COC(F)F 2278234159 KQHJCVXIIMFPHZ-KGLIPLIRSA-N 279.415 4.733 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H]1C[C@@H](OC)C1 2278238988 LEFWPOROFOCBKV-ZACQAIPSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C2C[C@@H]3C1[C@@H]3C2 2278243319 NEJZRIFWCFFSIR-OYRFWHOVSA-N 263.469 4.760 30 10 CJEE CCCC#CC[C@@H](NCCC)C1(C)CC(C(F)(F)F)C1 2279185543 FKUGZNLJTZFSGD-SHARSMKWSA-N 289.385 4.527 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1CCCCC12CC2)NC 2279524443 NVKLNFFHEULSJA-ZWKOTPCHSA-N 269.432 4.648 30 10 CJEE CCCN[C@@H](CC#CC1CC1)C[C@@H]1CCCCC12CC2 2279618742 GURQUFNIBQBVJK-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC[C@H]1CCC[C@H](CNc2cc(C)c(C#N)c(C)c2)C1 2280561958 ORTVRGOBFMVZRY-HOTGVXAUSA-N 270.420 4.803 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H]1CCCC12CC2)NCC 2281325126 LCYPFEGKFYRMHM-ROUUACIJSA-N 269.432 4.648 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(OC)ccc1Cl 2283349871 MXEDTOQNOKQNPR-KRWDZBQOSA-N 293.838 4.583 30 10 CJEE C[C@@H]1CC[C@](CC=CC#CC(C)(C)C)(CNC2CC2)C1 2284084881 XEQDPYSMECOZQM-APWZRJJASA-N 273.464 4.541 30 10 CJEE C=CCCCSC[C@@H](NC)c1ccc(CC(C)C)cc1 2287078160 OFAFWTPTBORYAX-GOSISDBHSA-N 291.504 4.845 30 10 CJEE C=CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC 2287196503 WHVHYNIBSFTLIG-OKZBNKHCSA-N 289.488 4.610 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@@H](C(C)(C)C)CS1 2287886917 WOUGJALQODBWFN-HUUCEWRRSA-N 298.540 4.946 30 10 CJEE CC1(C)CCC[C@](C#N)(C[C@@]23CCCC[C@H]2CC3)C1=O 2289134521 QGVAYFAOPQGFGY-JCGIZDLHSA-N 273.420 4.636 30 10 CJEE O=C(C#CC1CCCCC1)c1ccccc1C1CCC1 2289616545 LHODMGXCBOYYNE-UHFFFAOYSA-N 266.384 4.721 30 10 CJEE C=CCC[C@@](C)(CCCCCCCC)OCCC(=O)O 2290627082 QLZJZUYQFSKCMR-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CCC2(CCC2)C1 2290898597 ZJMYMCIPRSQZCE-KRWDZBQOSA-N 282.424 4.541 30 10 CJEE CCCCCCC[C@H](CC1CCCC1)OCCC(=O)O 2291874033 HPXJUGUEQQAXGC-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=C(C)C[C@](C)(OCCCN)C1CCC(CCC)CC1 2293062201 MTBHYOZQYLWXKI-ABHNRTSZSA-N 281.484 4.683 30 10 CJEE C=CCC[C@@H](C)[C@H](OCCCN)c1ccc(C)c(Cl)c1 2293141871 MHMFLWTYDQWABE-PBHICJAKSA-N 295.854 4.657 30 10 CJEE CCCCCCCC[C@@]1(OCCN)CC[C@@H]1C1CCC1 2293374628 PRVPOFLJESOLGN-QZTJIDSGSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)CC[C@H]1C1CC1 2293413226 JSJDVOAEIJOVTI-ZWKOTPCHSA-N 281.484 4.661 30 10 CJEE C=CCCCCCC[C@@](C)(OCCN)[C@H]1CCC1(C)C 2293992057 PTVGERONEQGNQN-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@]1(OCCN)CCCC[C@H]1C(C)C 2294032999 OLPWOPMEWOJJHR-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1C[C@@H]2C[C@H]2C1 2294324943 PHFUEBZWSBSECC-BQFCYCMXSA-N 281.484 4.517 30 10 CJEE CCCCCCCCCC[C@@]1(OCCN)C=C(C)CC1 2294560277 UTBUYRSWEQDDFH-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CC1(C)CCC[C@@]1(C#N)c1ccc2ccc(Cl)cc2n1 2294981477 LKOXPAXMIFJUOB-QGZVFWFLSA-N 284.790 4.860 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)CCC(F)(F)F 2295676252 JCDYJKYRJYSDFM-UONOGXRCSA-N 297.405 4.548 30 10 CJEE CCCCCCCCC[C@](C)(C[C@H]1C[C@@H]1F)OCCN 2295688779 JGUNMNPMHQLEEG-IXDOHACOSA-N 287.463 4.609 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCCN(CC)C1 2295691849 PXQXGZMLKDGTFO-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ccccc1F 2307088639 BZKNCMMUVPAGFW-CQSZACIVSA-N 272.454 4.900 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1cc(F)c(Cl)c(Cl)c1 2307306295 CHMOKZBKSQMCIA-OQPBUACISA-N 276.182 4.605 30 10 CJEE CSc1ccc(COC[C@H](CS)C(C)(C)C)cc1 2318096187 FBQPLPGXLCGJBW-CYBMUJFWSA-N 284.490 4.517 30 10 CJEE C=CCCSc1ccc([C@H](C)NCC)c(C)c1C 2318560997 RHLIHNPQHLFVAJ-AWEZNQCLSA-N 263.450 4.642 30 10 CJEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)C(=O)O 2318611334 XONXHGTYILBPKG-LLVKDONJSA-N 287.186 4.593 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CC[C@@H]1C1CC1 2319494732 BHAGVHNBFAOOFN-YESZJQIVSA-N 252.442 4.924 30 10 CJEE CC(C)CC[C@H](C)N(C)C[C@](C)(CS)C(C)(C)C 2327298048 KNMFNPWNIKYPSU-GOEBONIOSA-N 273.530 4.725 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc(F)cc1SC 2328532277 JQOZJRPDSFXOMD-AWEZNQCLSA-N 267.413 4.555 30 10 CJEE C=CC1(C[C@H](O)[C@H]2C[C@@H]3CCCCCC[C@@H]32)CCC1 2329945447 FYTNHLPTJQZPBQ-QAETUUGQSA-N 262.437 4.700 30 10 CJEE CCCCCCCCCN(C)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 2332409977 LBLOQEONFWUWMG-OBVSXPTNSA-N 263.469 4.713 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H]1C[C@@H]1C(F)F 2333365580 PPJDIPMKWFPVJN-QLFBSQMISA-N 273.411 4.912 30 10 CJEE C=C(C)CCCCNC[C@H]1C[C@@H]2CCCCCC[C@@H]21 2334661013 GPJKJACDJCWINB-KSZLIROESA-N 263.469 4.929 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ccc1C[C@@H](C)N 2335103674 OXVDRLOBSCPTCQ-GFCCVEGCSA-N 295.879 4.843 30 10 CJEE C=C[C@H](C)C[C@@H](NCCC)C(CC1CC1)CC1CC1 2335236715 ZHJPBSKSCQOJMJ-KBXCAEBGSA-N 263.469 4.783 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)ccc1C(F)F 2338276871 ZVLLBSARJYBHEV-CQSZACIVSA-N 271.326 4.770 30 10 CJEE CC(C)(CCC#N)CNc1cc(F)ccc1C(F)F 2338373304 ALQNBDYMEUSUNP-UHFFFAOYSA-N 270.298 4.505 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@@H]1CCCCC(F)(F)C1 2338731197 YBKOCWDRHVZLCY-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2338734384 YZCCFHSVXRWZTJ-DDBAPUKQSA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1CC12CCCCC2 2338750336 RGUBDMSRZKVGEO-IAGOWNOFSA-N 261.453 4.703 30 10 CJEE C#CCCCCCCNC[C@H]1CC[C@H](CCC)CC1 2338856522 QBIKGQNYHQYPNG-IYARVYRRSA-N 263.469 4.766 30 10 CJEE C=C(c1ccccc1)[C@H](CCC1=CCCCC1)NC 2340213096 CMGNUSRFPONSCE-SFHVURJKSA-N 255.405 4.568 30 10 CJEE C[C@H]1[C@H](N(C)CC2(CS)CCCCCC2)CC1(C)C 2342876151 LGWZBQOZKVXOEE-LSDHHAIUSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CC1(C=O)C[C@@H]2CC[C@H](C1)S2 2343369942 YAKUUBJFOHTNGU-LKQHZGNASA-N 280.477 4.692 30 10 CJEE C=C1CC([C@@H](C[C@@H]2CCC(C)=C(C)C2)NCCC)C1 2343445882 PWIKFYBBULMPOW-SJLPKXTDSA-N 261.453 4.847 30 10 CJEE CC1=C(C)C[C@@H](CC2(C=O)CCC(F)(F)CC2)CC1 2343447485 SFYAZKFDKHIRJI-AWEZNQCLSA-N 270.363 4.908 30 10 CJEE C=C([C@H](NCC)c1cccc(C(C)C)c1)C(F)(F)F 2343601731 SHYCTLYJMHHKFB-AWEZNQCLSA-N 271.326 4.579 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C2CCC2)cc1 2344340242 PQCQXZKFPFFMTO-QGZVFWFLSA-N 257.421 4.817 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cnc(C(C)(F)F)s1 2344357773 SEGZHDOUZUWGAT-WCQYABFASA-N 288.407 4.508 30 10 CJEE Cc1cc(C)cc(C2(C#N)CC3(CC(C)(C)C3)C2)c1 2344994073 RBLCEPARHJJGKM-UHFFFAOYSA-N 253.389 4.665 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCCCC2(CCC2)C1 2352097517 KPWXWUUWYBZWDI-MRXNPFEDSA-N 283.525 4.625 30 10 CJEE CC1(C)C[C@H](C2(C#N)CCC(C(C)(C)C)CC2)CO1 2353415724 NBYKSSQGMZIOGV-UUCFBXCCSA-N 263.425 4.548 30 10 CJEE CSc1cc(SC2CC3(CC(C)C3)C2)ccc1C#N 2353836299 QXMUMTJVQNKMAE-UHFFFAOYSA-N 289.469 4.951 30 10 CJEE CN[C@@H](CC#CC1CCCCC1)[C@@H]1CCC[C@H]1C(C)C 2355573266 ORLMCOLJZKBVDR-OTWHNJEPSA-N 275.480 4.621 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1OC[C@@H]2CCCC[C@H]12 2358461521 MRCNUAXQXLMTMZ-XSLAGTTESA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]1CO2)NC 2359077238 PBPDGZSWRDPPNV-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)OCCCN 2360057501 YJDZPTRPKNMPAH-XWTMOSNGSA-N 281.484 4.517 30 10 CJEE C=CCOc1ccc(CN[C@@H](CCC)c2ccccc2)cc1 10436054 DGELDYVCRSDYLK-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CCCOc1cccc([C@@H](C#N)NCCC2=CCCCC2)c1 20176658 XWOVUXZPDRQACI-LJQANCHMSA-N 298.430 4.520 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCC2 36954191 YMQKDAKFVKTVCE-GFCCVEGCSA-N 296.801 4.873 30 10 CJEE CC(C)(C)c1cccc(OCc2cc(C#N)ccc2F)c1 37415331 BLTTVLVNNHCQOA-UHFFFAOYSA-N 283.346 4.574 30 10 CJEE CC(C)c1cccc(OCc2nc(C3CC3)c(C#N)s2)c1 82435866 KQJXNGWTPUBYCQ-UHFFFAOYSA-N 298.411 4.595 30 10 CJEE C[C@H]1CC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C 84983464 XDSFZKNHCNYQFZ-GRDNDAEWSA-N 270.420 4.724 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(C2CC2)c1 94521315 WVRFZHXLSTWMRZ-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE SCC1(CN2CCC3(CCCCC3)CC2)CCCCC1 94579385 PKXYGZRGMRIVOY-UHFFFAOYSA-N 295.536 4.913 30 10 CJEE CC(C)[C@H](CS)CN(C)[C@@H](C)c1ccc(Cl)cc1 94579668 KHJURMNDBVSSDR-JSGCOSHPSA-N 285.884 4.535 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(CC(C)C)C2CCCC2)C1 94848702 FYSPRBMULBCRNL-ZHALLVOQSA-N 290.495 4.996 30 10 CJEE CCCCCCCO[C@@H](CNCCC)c1ccccc1F 110067671 RXNKCQUSBKWFGZ-SFHVURJKSA-N 295.442 4.853 30 10 CJEE C[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 110256720 CFPSEYVURZVXDK-DGCLKSJQSA-N 296.336 4.815 30 10 CJEE CCCCCCCn1cc(CNC2CC2)c2ccccc21 112931896 ZPABRRINJLILJL-UHFFFAOYSA-N 284.447 4.864 30 10 CJEE CCCCCCCCCCNc1nc(C)cnc1C 124873137 LJHZXGWCEQFZSG-UHFFFAOYSA-N 263.429 4.646 30 10 CJEE CCCCCCCCOc1cc(C)c(F)cc1[C@H](C)N 128362787 FOKXVZZELSFZJY-AWEZNQCLSA-N 281.415 4.893 30 10 CJEE C=C(CC)C[C@@H](O)c1cccc(OCc2ccccc2)c1 137135698 HKMPYQFGGBREPV-LJQANCHMSA-N 282.383 4.655 30 10 CJEE CCCCCCCCOc1ncnc(NCC)c1CCC 158012870 NTSRJBPKJYJAJV-UHFFFAOYSA-N 293.455 4.600 30 10 CJEE C=CC[C@@H](C)N[C@H](Cc1cccs1)c1cccs1 163310641 JOTYCSZTKGMYHT-TZMCWYRMSA-N 277.458 4.648 30 10 CJEE CCCCCCCCC(=O)c1ccc(OC)cc1OC 164749136 VUYFKZSHTPIWFH-UHFFFAOYSA-N 278.392 4.637 30 10 CJEE CCCCCCC[C@@H](Cc1ccn(C(C)C)n1)NCCC 168563412 WNZIZHXWHPGMGV-KRWDZBQOSA-N 293.499 4.735 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCCN1 169018064 MJOYOZSFJRSSMU-ROUUACIJSA-N 283.500 4.800 30 10 CJEE C[C@@H](SCc1ccc(C#N)c(F)c1)c1cccc(C#N)c1 191024689 RVSXOHWYCBMBQF-GFCCVEGCSA-N 296.370 4.563 30 10 CJEE Cc1cccc(C#N)c1N(C)[C@@H](C)c1ccccc1Cl 221053827 LRABVLKWPBUHIR-ZDUSSCGKSA-N 284.790 4.718 30 10 CJEE CCCC[C@@H](CCC)Nc1cc(Cl)ccc1C#N 226031411 HBVIVVXGQQCSNA-CQSZACIVSA-N 264.800 4.982 30 10 CJEE CCCCCCCCCC(=O)c1ccc(CCN)cc1 226445083 LRLPEVLHRQKLEL-UHFFFAOYSA-N 275.436 4.511 30 10 CJEE N#Cc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1 226489006 WOKGVBZPQWPYKJ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCC[C@H](COC(C)C)NCCC 228674354 IUJKREZHDNWBOA-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE C#CCCCCNCc1c(CCCC)oc2ccccc12 229643280 STURIFLBRYZOIY-UHFFFAOYSA-N 283.415 4.669 30 10 CJEE CC(C)c1ccc(Sc2nccc(C#N)c2Cl)cc1 232759894 KOWMYUJQAXLRAG-UHFFFAOYSA-N 288.803 4.881 30 10 CJEE CCCCCC[C@H](C)NCCCCC(C)(C)C#N 232967307 NZVBQECVMLPSLS-HNNXBMFYSA-N 252.446 4.655 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccc(Cl)cn1 233164347 LYXPUYAFUXJCJG-OAHLLOKOSA-N 280.843 4.912 30 10 CJEE C=CCCCCC[C@@H](NC)[C@H](C)Oc1cccc(Cl)c1 234453681 CGTKBOPGSJVYSC-WMLDXEAASA-N 295.854 4.832 30 10 CJEE Cc1ccc(COc2cccc(Cl)c2C#N)c(Cl)c1 235917498 SVVZJAHZVDPXTP-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@H](C)C[C@H]2C)C1 251255221 KPSHBEFTQTZIOF-YYWYGQEZSA-N 290.495 4.851 30 10 CJEE CCCN(CCC)[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 252437358 VHPRXFWUXKFIJS-CEXWTWQISA-N 284.447 4.584 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC(C)C 252823433 BYKKWLWBDOWGKV-SQNIBIBYSA-N 277.496 4.867 30 10 CJEE COC(=O)c1ccc(N=Nc2ccc(N=[N+]=[N-])cc2)cc1 254742798 UXWWURPVNQHAFY-UHFFFAOYSA-N 281.275 4.830 30 10 CJEE CCCCCCCCNC(C1CCC1)C1CCC1 302651625 WBFDDQOKDGOWDG-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2ccc(Cl)cc2Cl)O1 310385304 JYAPORRNMJMGCO-QWHCGFSZSA-N 270.159 4.517 30 10 CJEE CCCCCCCC[C@H](CCC1(OC)CCC1)NC 311828543 FWEOZWPXBAFFHT-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1C1(C#N)CCC(C)CC1 312227565 CTENOHVJDUJOSH-UHFFFAOYSA-N 292.766 4.528 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CCCC[C@@H]1N 312956833 ITTCDXDDYNNYBT-WMZOPIPTSA-N 281.484 4.994 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CC(C)(C)OC2(C)C)CC1 316608768 ADYBYNWGEIITMZ-CSLYMUCUSA-N 280.452 4.612 30 10 CJEE CC1(C)CCC(C=O)(CCCOCc2ccccc2)CC1 317129107 IBQVSSBADKAFEP-UHFFFAOYSA-N 288.431 4.769 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CCCCC23CCCC3)C1 383933851 VYZDEZXTWXGKIL-NJAFHUGGSA-N 275.436 4.572 30 10 CJEE C=CC(C)(C)CNC(c1cccs1)c1cccs1 385210561 QGBQUSLFRMRUPE-UHFFFAOYSA-N 277.458 4.701 30 10 CJEE C=C(COCCC)[C@H](NCCC)C1CCCCCCC1 387538211 LSOLWMOUOJIWSJ-SFHVURJKSA-N 281.484 4.698 30 10 CJEE Cc1cc(Br)c(C(=O)C2=CCCC2)cc1Cl 393790251 WMADTAYQRVVXKL-UHFFFAOYSA-N 299.595 4.704 30 10 CJEE C=C(CNc1ccc(C(F)F)cc1)c1ccccc1 395428685 PJFWTFYQSMIBCX-UHFFFAOYSA-N 259.299 4.750 30 10 CJEE CCCCCCCCC[C@H](NCC)c1ccns1 401129899 SJZSQXQBCXDGQW-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CC[C@H]2C[C@H]2C1 403868096 YFTKCIRMOHAFKT-MHORFTMASA-N 280.500 4.785 30 10 CJEE CCCCCCCCCCCC[C@H](N)C1CSC1 404991298 JWLMGNDXXKYWTO-INIZCTEOSA-N 271.514 4.988 30 10 CJEE CCCCCCCCCCCC[C@H]1[C@H](C)OC[C@@H]1N 405887681 WRNGZBBPLRYTDX-ULQDDVLXSA-N 269.473 4.660 30 10 CJEE COc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 575381242 PIHDUEXMHBESDX-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE CCC(C)(C)CC/N=C1/NC2(CCCCC2)CCS1 687319852 IKOORQDFEFDRHV-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE CCCC1([C@@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)CC1 687557554 VBIUBYMNQPGNJS-CQSZACIVSA-N 277.452 4.674 30 10 CJEE C=CCCCCCNCc1ccc(Cl)c(Cl)c1 689267403 RCRLYAKBPFVFQU-UHFFFAOYSA-N 272.219 4.829 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1ccc(CC#N)cc1 689807591 LWGWHMJDPVQISV-AWEZNQCLSA-N 256.393 4.523 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1F 692203596 HHIIVSLDEVENAC-DOMZBBRYSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCCCc1ccccc1 692242628 XGGAIDKLYFNVKS-MOPGFXCFSA-N 271.448 4.734 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C)s1 692254019 LNSGQYPYQLWGLE-RBSFLKMASA-N 263.450 4.842 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1ccnc(C(F)(F)F)c1 692254727 XPBDFWLNCKGXQR-YPMHNXCESA-N 284.325 4.647 30 10 CJEE CSc1cccc(N(C)[C@@H]2CCC[C@H](C)CC2)c1C#N 697461012 CBQLCFVCMQBXAG-UONOGXRCSA-N 288.460 4.685 30 10 CJEE CCCCCCCCCCCCN[C@H]1COC[C@H]1CC 699832761 DOHFLOCNJUXXHE-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1 708583042 CJKLRUQYMUTVSA-LSDHHAIUSA-N 285.541 4.869 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cc(C#N)ccc1C 709146627 FMCPXIFQGDVBRC-HOTGVXAUSA-N 256.393 4.638 30 10 CJEE C=C(Cl)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCCC 710644333 JGNKLZBQRUKMHW-BPLDGKMQSA-N 271.876 4.960 30 10 CJEE O=C(C[C@H]1CCCC1(F)F)C1=CCCCCCC1 713959155 APMMYSDAUIBKCY-CYBMUJFWSA-N 256.336 4.662 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)C(C1CCC1)C1CCC1 715724565 VKBWUJITONVYFR-RDTXWAMCSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CC[C@H](CC)CC1 715796309 PFMGVCONATVFCI-QAETUUGQSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@@H](OC)CC1 718370106 HUMMEBRZFREFHK-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE C[C@@H]1CC=C(C(=O)C[C@@H](C)COCc2ccccc2)CC1 719182895 OECGKTHRAJQFEM-HZPDHXFCSA-N 286.415 4.545 30 10 CJEE COc1cc([C@H](C#N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1C 719378218 SFQDIWIQUFZRAJ-IXKJSCDLSA-N 271.404 4.683 30 10 CJEE N#Cc1ccc(Cl)cc1OC1CCCCCCC1 721055371 KQXLNNZVJLYHOP-UHFFFAOYSA-N 263.768 4.703 30 10 CJEE C=C1CCC(C[C@H](O)c2csc3c2CCCC3)CC1 724577326 OXJONHFTMGBLGP-INIZCTEOSA-N 276.445 4.797 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccccc2Br)CC1 724582895 PFDICXBMOOYLKH-OAHLLOKOSA-N 294.236 4.585 30 10 CJEE C=C1CCC(CC(=O)c2ccc(Br)cc2)CC1 724589184 BFJOOIKSEOVWOM-UHFFFAOYSA-N 293.204 4.768 30 10 CJEE C=C1CCC(COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 724618260 LFEUMEMYBBMZHI-UHFFFAOYSA-N 299.729 4.513 30 10 CJEE C=CC[C@H](C)NC(CCC(F)(F)F)CCC(F)(F)F 925430285 LJNXOPARNDUYRO-VIFPVBQESA-N 291.279 4.594 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)ccc1SC 1125406408 PDPDRYIAXKFURP-JTQLQIEISA-N 283.824 4.603 30 10 CJEE C=CCCCCNc1cc(-c2cccc(Cl)c2)ncn1 1163127487 PHLJKKGLHQTHJX-UHFFFAOYSA-N 287.794 4.565 30 10 CJEE C=CCCc1ccccc1NCc1cc(COC)cs1 1178552822 GYSMXGYUFMLDJF-UHFFFAOYSA-N 287.428 4.625 30 10 CJEE C=CCC1(CN[C@H]2CCC[C@@H](C(C)C)C2)CCCC1 1178709712 KDWPXLFUDFPQBQ-SJORKVTESA-N 263.469 4.927 30 10 CJEE C=CCCC[C@H](NC(=O)Nc1ccccc1)c1ccccc1 1194197789 SQAOPPSUBLGLRR-SFHVURJKSA-N 294.398 4.906 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccccc2OC)cc1 1202183874 KKESINUHZMSHDE-GOSISDBHSA-N 295.426 4.807 30 10 CJEE C=CCCC[C@@H](NCc1cccc(O)c1)c1ccccc1 1203495981 AOCSHNLLSIOUAN-LJQANCHMSA-N 281.399 4.579 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)NC[C@@H](CCC)CCCC)C1 1223573977 CZHFCWDWFVZCRZ-DLBZAZTESA-N 294.483 4.591 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 1289567109 MOMAGWBAEMFXTL-ZDUSSCGKSA-N 283.346 4.601 30 10 CJEE C=CCN(C(=O)/C=C(\C)c1ccccc1C)c1ccccc1 1298806758 WTDNGEYPXMYJKZ-BMRADRMJSA-N 291.394 4.618 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 1308482641 RQICTLUXQTVIHD-SRCQZFHVSA-N 275.823 4.662 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1ccc(C)c(C)c1 1308858237 CLYOOFYRYIPHHY-RBUKOAKNSA-N 271.448 4.570 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N1CCCC1(CCC)CCC 1312368358 ZUJFOQUIOGCCTP-MRXNPFEDSA-N 294.483 4.876 30 10 CJEE C=CC1(CC(=O)N(C)c2cc(C)cc(C)c2)CCCCC1 1355516368 RHQGEYNXFGVFGE-UHFFFAOYSA-N 285.431 4.793 30 10 CJEE C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 1435240495 JHSIOJJTMFAHOT-RTBURBONSA-N 299.458 4.775 30 10 CJEE C=C1CC(C)(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 1448998250 KJMFWLFKAYXLPO-SNVBAGLBSA-N 298.213 4.527 30 10 CJEE C=CCC(C)(C)C(=O)N(Cc1ccccc1)CC(C)(C)C 1456173540 MACLAGRFAUTMCR-UHFFFAOYSA-N 287.447 4.664 30 10 CJEE C=C(C)c1cccc(Nc2c(F)cccc2[N+](=O)[O-])c1 1458676493 CKTNUGQFSOYSPZ-UHFFFAOYSA-N 272.279 4.511 30 10 CJEE C=CC[C@@H]1CC[C@@H](NCc2ccc(C)cc2SC)C1 1461341024 VRPYLINTMYBEON-GDBMZVCRSA-N 275.461 4.551 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](CCC)c1ccccc1 1462036293 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C(#Cc1ccccc1)CNC1CCC2(CCCCC2)CC1 1560759232 WDFBKSILOPNXBW-UHFFFAOYSA-N 281.443 4.521 30 10 CJEE C=CC1(CC(=O)N[C@@H](CC)c2ccccc2)CCCCC1 1585190445 LVYRVZVITMZNSC-KRWDZBQOSA-N 285.431 4.781 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CCCC)C(C)C 1587234974 ZMGAYYIEZVSKEB-IXDOHACOSA-N 279.468 4.700 30 10 CJEE C=C[C@](C)(CC)C(=O)N1CCC(CC2CCCCC2)CC1 1611479785 XYNZQFOKKCYXSX-LJQANCHMSA-N 291.479 4.798 30 10 CJEE Cc1cccc(C#Cc2cccc(Cl)c2Cl)c1 1616184287 RVFWIHZCWKZRPT-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CCCCN[C@H](COc1c(C)cccc1C)C(C)(C)C 1616824744 SYXRIVQIXYORHP-QGZVFWFLSA-N 289.463 4.653 30 10 CJEE C=C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C)CC1)c1ccccc1 1617432863 LDBCKFVRMVEPPO-QZTJIDSGSA-N 299.458 4.631 30 10 CJEE C=C(CC)C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 1617552591 JXLKADAKRRTUEF-KRWDZBQOSA-N 287.447 4.764 30 10 CJEE C=CC[C@@H](C(=O)N1CCC[C@](C)(CCC)C1)c1ccccc1 1628899597 XRPMXGMHVDBHPL-QUCCMNQESA-N 299.458 4.775 30 10 CJEE C=CCCCCCCCCNc1c(C#N)cccc1C#N 1639988592 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4.742 30 10 CJEE Cc1ccc(C#C[C@@H](N)c2cc3sc(C)cc3s2)cc1 2239724127 DSWUBGKNNRJORW-CQSZACIVSA-N 297.448 4.631 30 10 CJEE C=CC[C@@H](CN[C@H](C)CC)Cc1cnc(C(C)(C)C)s1 2240109602 HDKLGOQRASMIJS-ZIAGYGMSSA-N 294.508 4.564 30 10 CJEE C=C1CC(COc2cccc(Cl)c2CN[C@H](C)CC)C1 2240219794 GVIXCYZLTMUICZ-CYBMUJFWSA-N 293.838 4.573 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)C1CCCCCC1 2240638438 UQDOAQTVSQWLKP-MSOLQXFVSA-N 283.500 4.786 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1coc2ccccc12 2241137831 ARZKSMAQJWPXDM-LSDHHAIUSA-N 271.404 4.556 30 10 CJEE C=CCC[C@@](C)(N)c1cc(Br)cc(C(C)C)c1 2247284856 OTOQMISVLUTPDI-OAHLLOKOSA-N 296.252 4.713 30 10 CJEE C=CCCCCCCCSC[C@@H](N)[C@@H](C)CC 2250062219 NWEKJXPQZUIHEL-LSDHHAIUSA-N 257.487 4.620 30 10 CJEE C=C(C)CCCCNCc1cc(C(F)F)cs1 2250160630 ASPRFMPVTVGGGH-UHFFFAOYSA-N 259.365 4.522 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1csc(C)c1C 2250163913 PFSPEBLVEJGAKB-OAHLLOKOSA-N 251.439 4.762 30 10 CJEE CC[C@@H]1CCCC[C@H]1OCCCCCCCS 2252622009 BASIZRCQNAOESM-HUUCEWRRSA-N 258.471 4.852 30 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281.484 4.539 30 10 CJEE C=C([C@](C)(OCCCN)C1(C)CCCCC1)[Si](C)(C)C 2293323004 RZNROSFLNBCGNH-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE CCCCCCCCC[C@@]1(OCCN)CCC=C1CC 2293466657 NGLJVTHIVYMSBN-GOSISDBHSA-N 281.484 4.971 30 10 CJEE CCCCCCCC1(OCCN)C[C@@H]2CCCC[C@H]2C1 2293668808 BKFJRKXYMGUSAV-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@@](CCC)(OCCN)[C@H]1CC1(C)C 2293889393 DSYIMVGSJMQKOB-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)CC(CC)CC 2295227286 TXAOEPURTISIFV-KRWDZBQOSA-N 291.866 4.886 30 10 CJEE C=C1CCC(C[C@@H](NC)c2nc3ccccc3s2)CC1 2295385309 JLPZNXYIFOXHFT-OAHLLOKOSA-N 286.444 4.693 30 10 CJEE COCC1(C[C@]2(C#N)CCCC(C)(C)C2)CC(F)(F)C1 2295609665 WYLXOJLSMPGQLH-AWEZNQCLSA-N 285.378 4.549 30 10 CJEE C=C(C)CC=C(COC(C)=O)[Si](C)(CCC)CCC 2297532276 ZCZLBKZPQXPILN-UHFFFAOYSA-N 282.500 4.880 30 10 CJEE C=C(C)CC(=CC(C)(C)OC[C@H]1CO1)[Si](C)(CC)CC 2297532453 APKMOUKSGRCMDB-OAHLLOKOSA-N 296.527 4.731 30 10 CJEE Cc1c(CO[C@@H](C)CCC#N)ccc(Cl)c1Cl 2301414299 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C=CC[C@H](C)[C@@H](C[C@@H]1C[C@H]1C(C)(C)C)NCCC 2321117829 PZOCDIRXMAEFOS-CAOSSQGBSA-N 251.458 4.639 30 10 CJEE C=CCCCCCCC[C@@]1(O)CC[C@@H]2[C@H](C1)C2(F)F 2333706588 RDJLXSNWBSZIRR-QLFBSQMISA-N 272.379 4.699 30 10 CJEE C=CC[C@@H](C)SCCC[C@H](NCC)c1ccccc1 2335102348 AWDLZEHJPJSCIL-WBVHZDCISA-N 277.477 4.815 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1ccccc1C(C)C 2337165961 NZUJVUDULPEFMO-YJBOKZPZSA-N 257.421 4.644 30 10 CJEE CCCN[C@@H](C#CC1CCC1)c1cc(Cl)ccc1Cl 2337433137 XYNOYKYWMIKCFB-INIZCTEOSA-N 296.241 4.838 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1 2338741920 RJXOUOJIGSYUTJ-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE CC(C)(C)[C@@H](CS)COC[C@H]1C[C@H]2CCC[C@H]1CC2 2338917327 DGGLESIXJBEOQY-CAOSSQGBSA-N 284.509 4.812 30 10 CJEE C#Cc1ccccc1N[C@H](C)c1ccc(Cl)cc1F 2339960360 NXQOYOWDPDIIEK-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CCCCCCC[C@@](C)(OCCN)C1(Cl)CCCC1 2340728991 WMFGHEGHQDCDCX-OAHLLOKOSA-N 289.891 4.633 30 10 CJEE C=C(C)C[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NCCC 2341927380 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MBVHFAGSBKMMFN-NVXWUHKLSA-N 256.393 4.597 30 10 CJEE CCCN[C@](C)(C#N)CCCCSc1ccccc1C 45365954 SCWPDXWKDIYXQV-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE Cc1ccc([C@H](C#N)CCOc2ccccc2Cl)cc1 57684933 OEPHAADQFKTIJZ-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE CCCCCCCOc1ccc(CNCC)cc1OCC 59128505 QREPFPJPKQGLFM-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE N#Cc1ccc(Sc2ccc(F)cc2)c(Cl)c1 62794123 KHYMFPLFYSZVDA-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE Cc1c(Cl)cccc1Nc1nc2ccccc2cc1C#N 71389695 AOGSUDJOHNJOFI-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE Cc1ccccc1C1(C#N)CC2(CCCCCC2)C1 86543282 ZYBSWQAKYQMOTH-UHFFFAOYSA-N 253.389 4.891 30 10 CJEE CC(C)[C@H](CS)CSc1cccc(Cl)c1 87097842 PLHMJSKEILWRIN-SNVBAGLBSA-N 260.855 4.634 30 10 CJEE CC#CC[C@H](NCCC)C1CCC(C(C)(C)C)CC1 87988192 OXURSXODTOJHFV-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2ccc(CC)s2)CC1 91883924 UHWIDIXAVZMGAW-BLDCVEFLSA-N 291.460 4.844 30 10 CJEE CC[C@@H](CS)COc1ccc(Cl)c2ccccc12 94584860 JIBZNEVFUJABQL-LLVKDONJSA-N 280.820 4.828 30 10 CJEE SCC1(CSc2nc3ccccc3s2)CCCC1 94588977 XHCIBFRZMOYAPA-UHFFFAOYSA-N 295.498 4.879 30 10 CJEE O=C(C1=CCCCC1)c1cc(C(F)(F)F)ccc1F 94595771 JFIAYENXRPEAIG-UHFFFAOYSA-N 272.241 4.528 30 10 CJEE CC#CCC[C@H](NCCC)C1CCC(C(F)(F)F)CC1 97417523 TVSICEVLAYDIDD-NRXISQOPSA-N 289.385 4.527 30 10 CJEE CCCCCCCCCCCC#CCCC(=O)O 102182228 RAFYBBFFLHLMJT-UHFFFAOYSA-N 252.398 4.776 30 10 CJEE CCCOc1ccc(Cl)cc1[C@@H](C)CCC#N 107583283 DTZKHVLGBNEXRJ-NSHDSACASA-N 251.757 4.536 30 10 CJEE CCCCCCCC[C@](C)(N)c1cccc(OC)c1 109706236 LRJZPSKTPWBIPV-KRWDZBQOSA-N 263.425 4.620 30 10 CJEE CCCCCCC[C@@H](O)c1cc(F)c(C)cc1F 122092536 BQTPTVVFCLZIRD-OAHLLOKOSA-N 256.336 4.667 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](OCC)C(C)C 122859174 HEIYHICJFBNFCC-SJORKVTESA-N 272.473 4.939 30 10 CJEE CCCCCCCCO[C@H]1CCC(C)(C)[C@@H]1NCC 123879383 KEFPOTUIDZFSLI-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE CC#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC(C)(C)C 133170988 QFFKEUPGLQLNPP-BRWVUGGUSA-N 277.496 4.867 30 10 CJEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1cc2ccccc2o1 134684622 YCUAHKIKVCWFEG-VXGBXAGGSA-N 296.395 4.778 30 10 CJEE CCCCCCCC[C@H](O)CC1CCSCC1 135381259 QEOQCWPJRYTDAW-HNNXBMFYSA-N 258.471 4.631 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cc(C)nc(C)c1C#N 156599951 QOEOBHFHJKBTIJ-GFCCVEGCSA-N 280.371 4.876 30 10 CJEE CCCCCCCCCCC1(CO)C[C@@H]2C[C@H]2C1 158230882 JVGJLRGMQUZROR-HOTGVXAUSA-N 252.442 4.926 30 10 CJEE CC[C@H]1CCC[C@@](O)(C2(C#N)CCCCCCC2)C1 158996046 ONSWYWYWVDUIIB-RDJZCZTQSA-N 263.425 4.572 30 10 CJEE C=C(C)CCn1cc(CCCNC(C)C)c2ccccc21 164882690 COMWFIGLWVAPLD-UHFFFAOYSA-N 284.447 4.538 30 10 CJEE C=C(CC)C[C@@H](NCC)C1(OCC)CCC(C)(C)CC1 166715357 ARZQDOBEWJFSGQ-MRXNPFEDSA-N 281.484 4.696 30 10 CJEE CCC[C@H](C)COc1c(/C(C)=N\O)ccc2ccccc12 215134446 FXGLDDNFYYVSHD-ISNHLSKGSA-N 285.387 4.853 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(C(F)(F)F)c(F)c2)C1 228464642 QCOYFGUQJMJVNJ-UHFFFAOYSA-N 286.268 4.617 30 10 CJEE C=C(C)[C@@H](NCCC)c1cc2c(s1)CCCCC2 229749094 DGKPOLQYTMNQKF-MRXNPFEDSA-N 263.450 4.634 30 10 CJEE CCCCCCC[C@H](NCC)[C@@H]1CCCc2cccnc21 229783003 XKSOEKXXZNTDAH-ROUUACIJSA-N 288.479 4.840 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(Cl)ccc2F)C1 231191577 LWLNTBCPIXSIHT-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE CC#CCCC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCCC 231658933 CRBDTPRBHVBQMT-ZACQAIPSSA-N 263.469 4.621 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H](OCC)C(C)(C)C 233539537 MTWGTLDBGWXMSP-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(C)ccc1OC 233543336 FWRLVQPUPNLVNB-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE C[C@H]1CC=C(C(=O)c2cccc(OC(F)(F)F)c2)CC1 235294228 ILONYWAYXCOQAL-JTQLQIEISA-N 284.277 4.514 30 10 CJEE C=C[C@H](C)Nc1c(Cl)cc(Br)cc1Cl 235527790 WXIGSHBXTQZSMT-LURJTMIESA-N 295.007 4.742 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Nc2ccc(Cl)cc2)cc1C 235908228 VVLGXWOUUYQNCW-QGZVFWFLSA-N 284.790 4.942 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1cc(Cl)cc(Cl)c1 251131860 YHYBGKLHXKRIAF-KKFJDGPESA-N 259.176 4.664 30 10 CJEE Cc1[nH]c2ccc(C3(C#N)CCCCC3)cc2c1C 260643754 NUDWHEHUXCWYDN-UHFFFAOYSA-N 252.361 4.510 30 10 CJEE CCCC[C@H](CC)Cn1ccc2ccc(C#N)cc21 300459875 XXNYUFLKCOSWGT-AWEZNQCLSA-N 254.377 4.729 30 10 CJEE CCCC1CCC(C#N)([C@H](O)[C@@H](C)CC(C)C)CC1 311270060 ZRPNGYXQVREDSJ-ORBLRFAASA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@H](CCCCC1CCOCC1)NC 312214668 SIHFLVVFGPGYEQ-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C[C@H]1CC([C@@]2(C=O)CCCc3ccccc32)C[C@H](C)C1 316477398 RQYAVVAQBXRPGO-CLCXKQKWSA-N 270.416 4.532 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2cccc(C(F)(F)F)c2)C1 316542473 CAEUJOQXBNUCOJ-IUODEOHRSA-N 284.321 4.643 30 10 CJEE O=CC1(Cc2cccc(Cl)c2Cl)CCCCC1 316670752 ZQFNUPIOPJJVAD-UHFFFAOYSA-N 271.187 4.685 30 10 CJEE CCC1CCC(C=O)(Cc2cc(Cl)ccc2OC)CC1 316789086 HIUPNYMMBCCTKS-UHFFFAOYSA-N 294.822 4.677 30 10 CJEE CC(C)(C)CCC[C@@]1(C=O)CCc2ccccc2C1 316939219 FZFGBCPYZJGGTH-GOSISDBHSA-N 258.405 4.577 30 10 CJEE CCCCCCCC[C@H](NCCC)c1cc(C)n(C)n1 379707342 NPPDHHXHNZYELD-INIZCTEOSA-N 279.472 4.520 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H]1CC2CCC1CC2 380939590 LLJKIAIEVFERDG-BHUNQDJPSA-N 252.442 4.924 30 10 CJEE CCCCCCCCCCCC[C@H](N)CN(CC)CC 381374798 JNPVDKZASFFEDW-SFHVURJKSA-N 284.532 4.967 30 10 CJEE C=CC(C)(C)CN[C@H](c1cccs1)C1CCCC1 385235526 UTINTFNNCFLWNG-HNNXBMFYSA-N 263.450 4.781 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1 387183293 OSHZJSWFLLWKQN-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](N)COCc1ccccc1 395635674 VKCKQRDDLFPVSF-SFHVURJKSA-N 277.452 4.671 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H](C)CC(F)(F)F)C1 402666671 YQFUYEJBDMLVTK-JHJVBQTASA-N 264.331 4.751 30 10 CJEE CCCCCCC[C@@H](N)C[C@@H](C)CC(F)(F)F 402817998 DVSUTYDNSSARCX-VXGBXAGGSA-N 253.352 4.653 30 10 CJEE C=C[C@H](C)Nc1cc(Cl)c(Cl)c(Cl)c1 404187962 CXINHCMPDNRTRJ-LURJTMIESA-N 250.556 4.633 30 10 CJEE C=CCCCN[C@H](C)c1csc(-c2csc(C)n2)c1 448024154 WSFOUPNJGRFHBJ-LLVKDONJSA-N 292.473 4.797 30 10 CJEE CCCCCCCCC[C@]1(CNC)C[C@H](C)O[C@H]1C 686470381 KCHCOPJWQACONT-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1C(C)C 691134383 GTYOZAFVXUKVST-GVDBMIGSSA-N 251.458 4.926 30 10 CJEE CC(C)[C@@H]1CCCCC[C@H]1Nc1cccc(F)c1C#N 691180985 WIQRRTSVVICUNG-XJKSGUPXSA-N 274.383 4.714 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC(C)(C)CC(F)(F)F 694045795 ZMIJILXRVUSKRJ-GFCCVEGCSA-N 279.390 4.936 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(F)c1N 696119067 ZMUBQURXTBDCFO-HNNXBMFYSA-N 267.388 4.582 30 10 CJEE C[C@H]1CCC[C@](C=O)(CCCOC2CCCCC2)C1 699952770 XNKIEMXYMYPPJL-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE C[C@@]12CCCC[C@@H]1CN2CCCCCCCCCS 707196191 ONGZLPNNQKAJTH-IAGOWNOFSA-N 283.525 4.911 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1c(F)cccc1Cl 709115577 CUXYOWGQSCXEDF-GHMZBOCLSA-N 295.785 4.728 30 10 CJEE CN(c1cc(Cl)ccc1C#N)[C@H]1CCCC(C)(C)C1 709237524 MBJGFKXETDWBAO-AWEZNQCLSA-N 276.811 4.617 30 10 CJEE C[C@H](N(C)c1cccc(Cl)c1C#N)[C@]12CCCC[C@@H]1C2 709263833 KAXCPPFEQUPZRD-OGHNNQOOSA-N 288.822 4.617 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc2ccccc2o1 710597021 ZYTHHSFHOJXBEE-ZDUSSCGKSA-N 263.768 4.616 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@H](C)[C@@H]1CCCCO1 711849122 HXOBCOXRHORADC-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE CCCCCCC[C@@]1(C)[C@@H](NCCC)CCN1CCC 712248282 YBYSWVXYSDNHKH-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1ccc(OCCCC)cc1 715707534 XXDPJDAVXKDHLB-QAPCUYQASA-N 275.436 4.728 30 10 CJEE C=C(CN[C@@H]1CC(C)(C)CC[C@@H]1C)c1ccccc1 717483956 PDJRYLLBNRQVRK-WMLDXEAASA-N 257.421 4.504 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@H](C)[C@@H]1CCCO1 720188357 RAIAMVDSFYXTCM-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC1(CNC)C[C@@H](C)O[C@H](C)C1 724291464 XJVMJKDPDWWPEF-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE C=C1CCC(CNc2c(Cl)ccc3nsnc23)CC1 724559910 PQYROJUABJPFGT-UHFFFAOYSA-N 293.823 4.503 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 724565539 FYQVQSOXVNCGQT-ZNMIVQPWSA-N 290.369 4.853 30 10 CJEE Cc1ncccc1/C=C/C(=O)c1cc(Cl)cc(Cl)c1 755705258 OGHKEGPAWNYYKL-SNAWJCMRSA-N 292.165 4.593 30 10 CJEE C=CC[C@@H](N[C@H](C)c1cc2c(s1)CCC2)c1ccncc1 766020578 QMVHBLWFCNOZNS-CZUORRHYSA-N 298.455 4.600 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C(C)C)C1 821988847 UIFCUXBXQRQRMU-TVFCKZIOSA-N 263.469 4.926 30 10 CJEE C=CCCC[C@H](NCc1ncc(C2CC2)o1)c1ccccc1 880389233 FQJNNCNAMQUWIE-KRWDZBQOSA-N 296.414 4.739 30 10 CJEE C/C(=C\C1CCC(C)CC1)C(=O)Oc1ccc(C#N)c(C)c1 1128655548 DYVNHSIOBUMFFF-XNTDXEJSSA-N 297.398 4.545 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@@H](c2ccc(C)cc2)C1(C)C 1133029654 YHYULISFLUODAG-AEFFLSMTSA-N 299.458 4.692 30 10 CJEE C=C(CC)CN[C@@H]1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 1182357960 YIPRPOHWEGQXJE-CZUORRHYSA-N 297.364 4.686 30 10 CJEE C=CC[C@H]1CC[C@H](NCCSCc2ccc(C)cc2)C1 1198907787 HICQZEAVECDAIW-WMZOPIPTSA-N 289.488 4.563 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3)o2)C1 1199421792 ZNYZKSOWOURKLV-WBVHZDCISA-N 281.399 4.781 30 10 CJEE C=CC[C@H](CC)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 1308723467 NJSAFVVYGXUOEH-DOMZBBRYSA-N 285.353 4.753 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H](C)c1ccc(F)cc1 1308859307 LGSWREOQPCSOTH-QGPMSJSTSA-N 275.411 4.654 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)cc2F)CCCCC1 1348561453 FFQNMXMMBUMTAE-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 1351859424 JKZNJGUJKFMHDA-DOMZBBRYSA-N 279.811 4.510 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(CCC(C)C)cc1 1434931175 RGPLDYJPTDLTLM-GOSISDBHSA-N 273.420 4.816 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CC)c1ccc(F)cc1)c1ccccc1 1461545495 AEGYZVZLBYQTDI-QZTJIDSGSA-N 298.357 4.790 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@@H]2CC)cc1Cl 1474070255 KBGPMTATJLDEBB-HOCLYGCPSA-N 293.838 4.573 30 10 CJEE C#Cc1cccc(CNCc2ccccc2-c2ccccc2)c1 1474179821 DMQBHEWDZHTFJI-UHFFFAOYSA-N 297.401 4.625 30 10 CJEE C=CCC1(CN[C@H](C)Cc2ccc(Cl)cc2)CCCC1 1474521577 MTSDOLUADIENGP-OAHLLOKOSA-N 291.866 4.997 30 10 CJEE C=C1CCC(C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 1519814595 VBKWTHVCOAPVQQ-LJQANCHMSA-N 297.442 4.877 30 10 CJEE C=CCCCCCCCCNC(=O)c1ccc(C)c(C)c1 1527377973 JKBUMYMSINUHKA-UHFFFAOYSA-N 287.447 4.950 30 10 CJEE C#CCCCCCC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 1531742653 WZCGIIGDGQXAQF-OALUTQOASA-N 297.442 4.571 30 10 CJEE C=CCCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 1537796780 DDGXUXAAGRYOTA-INIZCTEOSA-N 293.410 4.887 30 10 CJEE C=CCC1(C(=O)NCC[C@@H](C)CC(C)(C)C)CCCC1 1538644694 UKLNNYVGVBOMSO-OAHLLOKOSA-N 279.468 4.702 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccsc1Cl 1560503041 YGRJKZOPBAFWOL-HNNXBMFYSA-N 291.847 4.679 30 10 CJEE C=C1CCN(C/C(C)=C/c2ccccc2C(F)(F)F)CC1 1560654192 FUZNYUDYFKWHPJ-SDNWHVSQSA-N 295.348 4.761 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)c(C)c2)CCCC1 1584960511 PWWYVGKKKDRXJM-UHFFFAOYSA-N 277.795 4.723 30 10 CJEE C=C[C@@H](C(=O)N1CCCCC[C@@H]1CC(C)C)c1ccccc1 1618023515 IAIKUUZFSOBTJG-RTBURBONSA-N 299.458 4.774 30 10 CJEE C=CCCC[C@H](NC1CCC(C#N)CC1)c1ccccc1 1621499803 MAZIVLJQXBMBGR-KVZIAJEVSA-N 282.431 4.756 30 10 CJEE C=CC[C@H]1CCCN(C(=O)CC(C)(C)C2CCCCC2)C1 1632373830 SHUJKRLQYKOFDH-INIZCTEOSA-N 291.479 4.798 30 10 CJEE C#CCN(Cc1c(C)ccc2ccccc12)C1CCCCC1 1657137965 FXRPVORGOZAXET-UHFFFAOYSA-N 291.438 4.916 30 10 CJEE C=CCCCCN1CCC[C@@H](c2ccc(F)cc2)CC1 1657917290 VISUYWXXEOJGEF-MRXNPFEDSA-N 275.411 4.752 30 10 CJEE 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2354881988 DTOLWCXQBWLLCO-XSLAGTTESA-N 275.480 4.621 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCCCC1 2357695577 VRMUXJRKUZFREU-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1 2358137248 HXGQBWJZBWCUTF-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)[C@@]12CCCC[C@@H]1CC2 2359769223 BGSNRRIAYGJTJM-FGTMMUONSA-N 291.555 4.596 30 10 CJEE CCc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1 6674073 QBGBQQSVEJWHGC-WOJGMQOQSA-N 272.779 4.657 30 10 CJEE Cc1cccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)c1 14479846 PLIOORICIXYILY-ZWOKBUDYSA-N 286.378 4.693 30 10 CJEE CCCCS[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 36333127 OVXNSZSAOGROMU-RDBSUJKOSA-N 253.455 4.874 30 10 CJEE CSc1cccc(Nc2c(C#N)cnc3ccccc23)c1 36913168 XUFWZXXPXDTGFN-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE N#CC1(Nc2ccc(Cl)cc2)CCCCCCC1 37936108 UNQBYXKDWQXKMN-UHFFFAOYSA-N 262.784 4.759 30 10 CJEE CC[C@@H](C)C[C@@](C#N)(CC)Nc1cccc(Cl)c1 37937181 RRDGXBYTYJFASL-IUODEOHRSA-N 264.800 4.860 30 10 CJEE 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CCCCCCCCCCNc1ncnc(OCC)c1C 129420156 YEDRWJZDTBKTNT-UHFFFAOYSA-N 293.455 4.736 30 10 CJEE CCCCCCCCO[C@@H]1CCC[C@](C#N)(NC(C)C)C1 129660904 APPQANXAMSAKET-MSOLQXFVSA-N 294.483 4.566 30 10 CJEE CCCC(CS)(CCC)Cn1nc(CC)cc1CC 131690593 PBOSTXNDOMSBQE-UHFFFAOYSA-N 282.497 4.524 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H]1CC(C)(C)OC1(C)C 132935880 USROLVUASQHYMT-HOTGVXAUSA-N 283.500 4.919 30 10 CJEE CCCCOc1ccc(-c2ccc(C)c(C#N)c2C#N)cc1 144667791 VGPHNAGTSOYVQJ-UHFFFAOYSA-N 290.366 4.584 30 10 CJEE C[C@](O)(c1ccc(Cl)cc1)C1(C#N)CCCCCCC1 156789885 KMTRGEOFNKHBAO-INIZCTEOSA-N 291.822 4.802 30 10 CJEE C=CCCCOc1c(Cl)cccc1CNC(C)(C)C 159324088 GNSXSVKOLNDCHX-UHFFFAOYSA-N 281.827 4.573 30 10 CJEE C=CC[C@@H](C)N[C@@H](CCC)c1ccc(Cl)cc1 162629282 CJJWQIZESXDDML-DOMZBBRYSA-N 251.801 4.735 30 10 CJEE CC[C@@H]1CCCCN1[C@@H](C#N)c1ccc(C(C)(C)C)cc1 212963433 UGFRTJZBPXKDOD-MSOLQXFVSA-N 284.447 4.813 30 10 CJEE C[C@H]1C[C@H](Nc2ccccc2C#N)c2ccsc2S1 216995479 PULMKPBAXSPNBX-HZMBPMFUSA-N 286.425 4.657 30 10 CJEE 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CC[C@@H]1CCC[C@](C=O)(CC2CCC(C)CC2)C1 317344409 SCFBMVBWCQIJRO-MNAZLIDISA-N 250.426 4.988 30 10 CJEE C=CCCCCCC(=O)c1cccc(OC(F)(F)F)c1 383716768 ISNQXZMEVSZGKW-UHFFFAOYSA-N 286.293 4.904 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2ccc(C)s2)C1 387440763 SCHQJSVCZUHWAT-JJXSEGSLSA-N 290.476 4.768 30 10 CJEE C[C@@H](CNc1ccc(C(C)(C)C#N)cc1)C(C)(C)C 388465724 BTOMIFQZPBQAIB-ZDUSSCGKSA-N 258.409 4.582 30 10 CJEE C=CCCCCCCN[C@@H]1CCc2c(F)cccc21 389208110 STYAYKRHNRVUIU-QGZVFWFLSA-N 261.384 4.539 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 394048631 LMHUNFSYINFLCE-MWDXBVQZSA-N 264.457 4.605 30 10 CJEE CCCCCCCC[C@@H](O)CCOCc1ccccc1 395551128 ZJBKAEPISHRIDU-GOSISDBHSA-N 278.436 4.705 30 10 CJEE CCCCCCCC(=O)CCCN(C)C(=O)OC(C)(C)C 405502347 OJVCPBOLVOMTCM-UHFFFAOYSA-N 299.455 4.563 30 10 CJEE C=CCCCCC[C@@](C)(CNCC)c1ccccc1 405662459 UORBOJVWOCNBTK-SFHVURJKSA-N 259.437 4.690 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 457278107 LGPHEQAAHGUUTB-FUHWJXTLSA-N 297.442 4.733 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(c1ccccc1F)C1CCCC1 466860973 JEZWYYFGQGRKGP-AWEZNQCLSA-N 289.394 4.704 30 10 CJEE C=CCC[C@@H](N)c1ccc2c(c1)c1ccccc1n2CC 575281509 NAEAZWBZCGKNDG-QGZVFWFLSA-N 278.399 4.780 30 10 CJEE Fc1cc(C(F)F)cc(C(F)(F)F)c1C(F)(F)F 575339535 BAUPCPFDDDUOAV-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]2C[C@@H]21 672744522 DDOVNZWTABZWDW-WBVHZDCISA-N 298.430 4.555 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc(C)c(C)c1 686689350 HOJJQDNLPFFGGH-SFHVURJKSA-N 257.421 4.538 30 10 CJEE C#CCCCCC[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC 686693863 YUBAUWVQKBFYDW-VJANTYMQSA-N 275.480 4.765 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(C)cc1Cl 686708482 GNRMHBQFKUXXNU-QGZVFWFLSA-N 277.839 4.883 30 10 CJEE Fc1cc(Cl)cc(N=C2NC3(CCCC3)CCS2)c1 687324924 HHVKEDSSVPNZJJ-UHFFFAOYSA-N 298.814 4.506 30 10 CJEE COC(C)(C)CC1(C#N)CC(C)(C)CC(C)(C)C1 688339599 VOKKZOPLFZJLDS-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE CO[C@H]1CCC[C@H]1C1(C#N)CC(C)(C)CC(C)(C)C1 688340370 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279.468 4.868 30 10 CJEE C=CCC1(CNC(=O)[C@@H](CCC)CC(C)C)CCCC1 1532543977 MESDTPLPINSFPD-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccccc1Cl 1559513173 JGLKTVGHRMLPPH-UHFFFAOYSA-N 285.818 4.571 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)C(C)(C)C 1559637975 JATUFVKWGCSFPD-UHFFFAOYSA-N 271.448 4.871 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCC[C@]3(C)CC)cc21 1561028800 VHKKXFVZLFSXJR-ROUUACIJSA-N 283.419 4.603 30 10 CJEE C=CC1(CC(=O)N2CCCC[C@H]2C2CCC2)CCCCC1 1586704448 XLJNXVWNAVGMRU-KRWDZBQOSA-N 289.463 4.694 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C(/C)CCC)c1ccccc1 1598378961 BHDRCLANVBTDOW-WBYGGXTKSA-N 285.431 4.947 30 10 CJEE C=C1CC(C)(C(=O)Nc2ccc(SC(C)(C)C)cc2)C1 1608294898 SYPMDTLFFHSRGG-UHFFFAOYSA-N 289.444 4.872 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C2CCC2)CC1 1618331625 DDIPQCNHRWTDOL-KZNAEPCWSA-N 289.463 4.550 30 10 CJEE C=C1CCC(CN[C@H]2CC[C@@H](c3ccccc3)C2)CC1 1621518180 YYUDKYARKHHMST-MOPGFXCFSA-N 269.432 4.659 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCC[C@@](C)(c2ccccc2)CC1 1627277300 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CJEE CCc1ccc(C#N)c(N[C@H](C)c2ccc(Cl)cc2)c1 2188841517 QGVVYGGFHIRVJQ-GFCCVEGCSA-N 284.790 4.947 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C=O)CCOC23CCCCC3)C1 2190282131 GCLGZFSVXVOMLW-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@H](OC)C12CCC2 2190383770 GXASVARHUVMWKF-IKGGRYGDSA-N 281.484 4.660 30 10 CJEE CC1(C)CCC(C=O)(CCCCCCCCCO)CC1 2190714899 NGZWTVCPOMYBFW-UHFFFAOYSA-N 282.468 4.885 30 10 CJEE CN(CC1(C(C)(C)C)CCC1)c1cccc(Cl)c1C#N 2191958603 UJNMARKAADAKGH-UHFFFAOYSA-N 290.838 4.864 30 10 CJEE C=CCOc1ccccc1[C@H](NCCC)C(C)=C(C)C 2192541288 YLAIHGUKPSXUPL-GOSISDBHSA-N 273.420 4.648 30 10 CJEE CCc1ccc(C#N)c(NC[C@H]2CC[C@H](CC)CC2)c1 2192873781 VOMYUANQJOBRFD-KOMQPUFPSA-N 270.420 4.749 30 10 CJEE C[C@H]1CC[C@H](C[C@@]2(C#N)CCc3ccccc3C2)CC1 2193083937 WHHIXFHDBQIZBB-BXWFABGCSA-N 267.416 4.902 30 10 CJEE CC#CCCC[C@@]1(CNC(C)(C)C)CCCC(F)(F)C1 2194064893 POFXUKHTACAURJ-MRXNPFEDSA-N 285.422 4.764 30 10 CJEE CC#CCCCCC[C@@H](NCCC)c1ccc(F)cc1 2196170986 FEOKZSYCWNAAJE-GOSISDBHSA-N 275.411 4.840 30 10 CJEE C=CCCCCCC(=O)[C@@](C)(O)[C@H]1CCCC(C)(C)C1 2196599120 WJHMLLFYKJNBCB-YJBOKZPZSA-N 280.452 4.659 30 10 CJEE C#CC[C@@H](C)COc1ccc2oc3ccccc3c2c1 2196720410 UHGKEXPPKBNWLO-CYBMUJFWSA-N 264.324 4.624 30 10 CJEE C#CC[C@H](C)C[C@@H]1C[C@H](CC)CC[C@@H]1CNC(C)(C)C 2196853070 FVBKIDFMGXGPCJ-BSDSXHPESA-N 277.496 4.867 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@@H]1CCCCC12CC2 2197152703 VOJVWXLNECOJIC-ZWKOTPCHSA-N 269.432 4.648 30 10 CJEE C=C(c1ccccc1)[C@](C)(N)c1ccc(CCC)cc1 2197153322 XVCKKLHZRKADBQ-IBGZPJMESA-N 265.400 4.526 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2C[C@@]23CCCOC3)CC1 2198326913 FBYNPTLCBVALCF-JYSRZZCRSA-N 275.436 4.693 30 10 CJEE N#Cc1ccc(COC[C@H]2C[C@H]2C2CCCC2)c(Cl)c1 2200751517 HOIRMAZSJHZJRI-CVEARBPZSA-N 289.806 4.555 30 10 CJEE CN(CCCC(C)(C)C#N)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2201139486 AUOOSICXWVXRIT-IXDOHACOSA-N 276.468 4.607 30 10 CJEE CC[C@H]1CC[C@@H](CC2(C=O)CCC(C(C)(C)C)CC2)O1 2201405904 GCXOIJPKNXACIL-LPMVOBIJSA-N 280.452 4.756 30 10 CJEE CCC1CCC(C#N)(C[C@@]23CC[C@@](CC)(C2)OC3)CC1 2201949565 JPIIXVIINPUWCB-FOIPXRHGSA-N 275.436 4.836 30 10 CJEE C#C[C@@H](N[C@@H](C)[C@@H]1CCCC(C)(C)C1)C1CCCCC1 2203788741 BNWYHKIBYDFIHI-CGTJXYLNSA-N 275.480 4.763 30 10 CJEE C#C[C@@H](N[C@@H](CCC)c1ccccc1)C1CCCCC1 2203802855 OFEWUTKJJFLOOR-MOPGFXCFSA-N 269.432 4.700 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@H]1C[C@@H]1C1CCCC1 2203819433 NGZJUDBCSRQUDL-QYZOEREBSA-N 275.480 4.765 30 10 CJEE CCCCC#CC[C@H](NCC)C1(CC(F)(F)F)CCC1 2203827949 NSNNYSIWHXVQMF-AWEZNQCLSA-N 289.385 4.671 30 10 CJEE CCCCC#CC[C@H]1CC(C)(C)CC[C@H]1CNC1CC1 2203833846 ONRWJEONHAAACY-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE C=CCCCCCC[C@@H](N)c1ccc2ccccc2n1 2206890923 ILEQYBUTBCGMLD-MRXNPFEDSA-N 268.404 4.761 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@H]1CCC[C@@H]1C 2207372667 GWWSABIIFVHJMZ-XYJFISCASA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@H](NC)C1(OC)CCCC1 2207436798 LYSOPDYYAHZPNH-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CC[C@H]2[C@H]1C2(F)F 2207437737 QVYTZZVOIJWGFS-ARFHVFGLSA-N 285.422 4.927 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](C(C)C)[C@@H](C)N 2207438871 SUKKKMUXUAZFHM-SJLPKXTDSA-N 281.484 4.872 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1ccc(C)c(C)c1 2207444591 KOZDCPKURSQNFX-KRWDZBQOSA-N 276.420 4.598 30 10 CJEE CCCN[C@](C#N)(CS[C@H]1CCC[C@H](C)C1)CC(C)C 2207591596 NHAJZGQTGTUMGZ-YESZJQIVSA-N 296.524 4.606 30 10 CJEE CC[C@H](C)CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2218649724 OWQXADZLXSIWHJ-JOYOIKCWSA-N 284.186 4.606 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H]1CC[C@@H]1C 2220526494 JYFZDEGKDBPTTP-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE C=C([C@@H](NCC)[C@]1(C)CC=C(C)CC1)[Si](C)(C)C 2221633882 WMHHFTLSGZKEKP-HZPDHXFCSA-N 265.517 4.535 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 2223855742 ZRPBNEYQCVKLSS-FIDHJVLJSA-N 251.458 4.760 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)C1C[C@H]2CCC[C@H](C1)C2 2225313468 IDKONEJIMQKOMY-NBOOPKSLSA-N 261.453 4.537 30 10 CJEE CCC#C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2225439032 JWBMJGPGKWTDHD-CYBMUJFWSA-N 289.469 4.931 30 10 CJEE C=CCCCCCCCN[C@@H]1CCCc2occc21 2227268313 OOJRNMQGYMJZCV-MRXNPFEDSA-N 261.409 4.773 30 10 CJEE C=CCCCCCCCN[C@H]1C[C@H]2CC[C@H]1C21CC1 2227275666 YMHHWEZGSDVFNM-ZACQAIPSSA-N 261.453 4.681 30 10 CJEE CCCCCCCCCOc1c(C)cccc1C#N 2230981227 KNFPLDODLLUQFO-UHFFFAOYSA-N 259.393 4.996 30 10 CJEE CCCCCCCCCCOCc1ccc(Cl)nn1 2231017827 ZQXCNANAEORAOU-UHFFFAOYSA-N 284.831 4.787 30 10 CJEE CCCCCCCCCCOc1ccc(CNC)s1 2231036578 IRRKHKIZPPDMCZ-UHFFFAOYSA-N 283.481 4.987 30 10 CJEE CCCCCCCCCCCO[C@@H](C(N)=S)C(C)C 2231075007 XLPLDVZVAIZUIL-OAHLLOKOSA-N 287.513 4.845 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@H]1CCCC(C)(C)C1 2231506200 QOOFMTQKEYHXBD-YJBOKZPZSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)C(C)(C)CC 2231857769 VCMWIFXWXNSROL-QGZVFWFLSA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CCCOCC1 2231907155 UDLONYUBRPXULY-IAGOWNOFSA-N 270.457 4.695 30 10 CJEE CC(C)(C)C[C@@H]1CSC(=N[C@H]2C[C@H](CC(C)(C)C)C2)N1 2233096252 OFIHKWDXIVMLMU-MGPQQGTHSA-N 296.524 4.698 30 10 CJEE C=CCCCCCCCOC1(C(C)(C)C)CCNCC1 2235519411 POSFZYUJTUZGQR-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H](O)CC(C)(C)C 2235523177 CAMQSDCUAXFULU-DLBZAZTESA-N 283.500 4.678 30 10 CJEE C=CCCCCCCC[C@@]1(O)CCc2cc(F)ccc21 2235526242 IZPAJAVPJVQVQO-GOSISDBHSA-N 276.395 4.876 30 10 CJEE C=CCCCCCCC[C@@H](CCOCCC(C)C)NC 2235539123 NIYKFEUIXIZGBZ-SFHVURJKSA-N 283.500 4.944 30 10 CJEE CCc1ccc([C@@H](CC)NCCC#CC(C)(C)C)cc1 2239116048 CKBUXKWOJACOHW-GOSISDBHSA-N 271.448 4.729 30 10 CJEE CCCCCCCCCCOC[C@@H](NCC)C1(C)CC1 2239489362 IEQOQTHHBNUHKB-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CC(C)c1ccccc1[C@@H](O)C#Cc1cccc(Cl)c1 2239556225 GPAPFAFLTWFPGL-SFHVURJKSA-N 284.786 4.549 30 10 CJEE C=CCN(c1cc(Cl)ccc1CN[C@@H](C)CC)C(C)C 2240035742 PCPPXNBJGWEFHK-AWEZNQCLSA-N 294.870 4.629 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H](C)C1(C)CC1 2240572062 GRUNYSGGBOBABB-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(N)c1ncnc2cscc12 2240614637 SMPKBBZDVRHRGC-INIZCTEOSA-N 291.464 4.616 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H](C)C1CCC1 2240639636 HPZDNUARUPBKSE-YJBOKZPZSA-N 282.468 4.883 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCN(C(C)(C)C)C1 2240640167 NRFGTNLZIUREEO-SJORKVTESA-N 282.516 4.588 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@H]1C[C@@H]1CCC 2240645903 ZMIYTTFJJIEFOP-JZXOWHBKSA-N 282.468 4.883 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2cc(C)ccc2n1 2241066813 QLIHQWFWPMSKGX-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCC(CC)(CS)CSc1cc(F)cc(F)c1 2247638507 DSEZOCHFYLZMGG-UHFFFAOYSA-N 276.417 4.793 30 10 CJEE CCCCCCCCOc1cc(Cl)sc1C=O 2250710114 LRKJSPUBKPBNJS-UHFFFAOYSA-N 274.813 4.953 30 10 CJEE CCCC(CS)(CCC)CSC[C@@H](OC)C(C)C 2256662826 IPCWBWSMENQANN-CQSZACIVSA-N 292.554 4.907 30 10 CJEE C=CCCCCCCCSC[C@@H]1CCCCNC1 2259050843 GJRXAWBQHUBTLW-MRXNPFEDSA-N 269.498 4.636 30 10 CJEE C=C[C@H](C)CCNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2260238168 KGQYOBGRXSVJIM-QMMMGPOBSA-N 289.162 4.526 30 10 CJEE C=C1CCC(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 2264940091 LCKZGCSTSHGYEJ-QWHCGFSZSA-N 274.326 4.671 30 10 CJEE C=CCCCC[C@H](NCC)c1cccc(Cl)c1OC 2267959316 GFADLPRPDDIKAJ-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE C=CCCCC[C@@H](NCC)c1cc(OC)ccc1Cl 2268106906 CDQLFWGTOMJCJA-MRXNPFEDSA-N 281.827 4.746 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1c(F)cccc1Cl 2268785321 JLZLWBWGAUMYGT-AWEZNQCLSA-N 280.770 4.508 30 10 CJEE C=CCCS[C@@H]1CC2(CCCCCC2)CC[C@@H]1NC 2271595231 WACPRNCRWCHPCZ-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2occc2c1 2271753692 NVJCWNJYTVWUJL-MRXNPFEDSA-N 257.377 4.830 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1c(F)ccc(C)c1F 2271836144 CWYUWPCXTCCDAT-CQSZACIVSA-N 267.363 4.670 30 10 CJEE CC1CC2(C1)CC(SCc1ccc(F)c(C#N)c1)C2 2273299682 BAIGYQHLBVUMSO-UHFFFAOYSA-N 275.392 4.509 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(SC)s1 2273982345 LXGIPABQTUDFTH-AWEZNQCLSA-N 293.501 4.704 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2273987811 FRFFJYXPCUYGLY-INIZCTEOSA-N 296.241 4.838 30 10 CJEE C=CCC[C@@H](C)NCc1c(C)c(C)c(C)c(C)c1C 2277434561 YBPZTXOUONYULV-GFCCVEGCSA-N 259.437 4.673 30 10 CJEE Cc1ccc2nc(SCCCCCCCS)[nH]c2c1 2277504075 UPRJGZQUHRUJNU-UHFFFAOYSA-N 294.489 4.844 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](COC)C(C)C 2278242039 YDGFZNIQVRAFKW-IRXDYDNUSA-N 271.489 4.776 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](C)c1ncco1 2278246519 QJQJZIWJVXLXLC-HUUCEWRRSA-N 266.429 4.854 30 10 CJEE Cc1cccc(NCC[C@H]2CCCCC23CC3)c1C#N 2279750780 YRIWJUFPIAHOMP-OAHLLOKOSA-N 268.404 4.639 30 10 CJEE C[C@@H]1C[C@H]1CCCC[C@]1(C#N)CCc2ccccc2C1 2280453602 WZDFMJFOFOQRDX-SUMDDJOVSA-N 267.416 4.902 30 10 CJEE CCCCCCC[C@H](NC)[C@H](O)c1cc(C)ccc1Cl 2283247481 VIHAKKGQSDIRAH-DLBZAZTESA-N 297.870 4.630 30 10 CJEE CC(C)C(C)(CN=C1N[C@H](CC(C)(C)C)CS1)C(C)C 2283821302 OKNPVJIUFTUGNX-CQSZACIVSA-N 298.540 4.802 30 10 CJEE CCCN[C@@H]1CCC[C@@H](CC=CC#CC(C)(C)C)[C@@H]1C 2284081549 OBYXWAWIAOILLB-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE CCCc1ccc([C@H](N)CC=CC#CC(C)(C)C)cc1 2284089799 QXQMAXJBIVRPDE-GOSISDBHSA-N 269.432 4.635 30 10 CJEE CC(F)(F)c1ccnc(Oc2ccc(C#N)cc2Cl)c1 2284107086 XTFSUXISFDNTDI-UHFFFAOYSA-N 294.688 4.511 30 10 CJEE CC(C)c1ccccc1[C@@H](N)CC=CC#CC(C)(C)C 2284109943 PGODZYOHGSYKFX-SFHVURJKSA-N 269.432 4.806 30 10 CJEE CN[C@@H]1CCC(C)(C)CC[C@H]1CC=CC#CC(C)(C)C 2284115249 GYFMPPDJFMZTNG-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CSC(C)(C)C 2284176187 BZLURDIEHDGPTL-INIZCTEOSA-N 295.536 4.882 30 10 CJEE CCCCCCCCCc1noc(N)c1-c1cnsc1 2286976574 YKPVNTKLMYDJCO-UHFFFAOYSA-N 293.436 4.673 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@@H](O)c1cc(C)c(C)s1 2287390863 USNLPVZUUNAHNN-NVXWUHKLSA-N 295.492 4.513 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1CC2(CC(C)C2)C1 2287854302 IKZHAUKFAJJTIX-QQQDYKAYSA-N 278.484 4.561 30 10 CJEE N[C@@H](C#CC1CCCCC1)c1cc2cc(F)ccc2s1 2289685163 RIHJYZQLBBFVAF-HNNXBMFYSA-N 287.403 4.624 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(SC)cc1 2289851180 CSMKYSNQRQFMRL-GOSISDBHSA-N 287.472 4.643 30 10 CJEE C=C(CC)C[C@]1(OCC(=O)O)CCC[C@@H](CCC)CC1 2291151927 FRHGXVHEEFNDLL-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](CCCC1CC1)OCC(=O)O 2291263225 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CCCCCCCC[C@](C)(O)[C@@H](C[C@@H]1C[C@H]1CC)NC 2358947849 JHGLZRKRCHGBNO-XDNAFOTISA-N 283.500 4.512 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359108807 JWLJLAOLCKAQDG-MLHJIOFPSA-N 281.484 4.660 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@]12CCC[C@@H]1C2 2360079330 FWXPDDFMZRZTHL-KZNAEPCWSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@H](C)CC1CC1 2360330328 KWEUPOVARUQDMH-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=C(C[S@](=N)(=O)CC1CCC(C)CC1)c1ccccc1 2360465058 ABBJFMFFMSBTNC-SGHGTVFPSA-N 291.460 4.573 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N2CC[C@@H]3CCCC[C@@H]3C2)C1 36809922 DAULLYFNPJHRAU-ICBNADEASA-N 288.479 4.607 30 10 CJEE CCc1ccccc1Oc1ccc(C(F)(F)F)cc1C#N 36985112 PITJXFKGVCMMLD-UHFFFAOYSA-N 291.272 4.932 30 10 CJEE Cc1ccc([C@@H](C#N)CCCOc2ccccc2F)cc1 57684771 OSEWHXYHJDYMIO-MRXNPFEDSA-N 283.346 4.601 30 10 CJEE COc1ccc([C@H](C#N)CCCCOc2ccccc2)cc1 57689772 OJEPQEPOLNIEIZ-KRWDZBQOSA-N 295.382 4.552 30 10 CJEE CC(C)c1ccc([C@@H](C#N)Cc2ccc([N+](=O)[O-])cc2)cc1 57742414 ZJKWFTKQLPFUOW-QGZVFWFLSA-N 294.354 4.568 30 10 CJEE CCCCCCCCCCCCCCOCCN 60007684 VDKIKEMSODDARD-UHFFFAOYSA-N 257.462 4.663 30 10 CJEE COc1c(C)cc(-c2cc(CC#N)c(C(C)C)o2)cc1C 77079886 GGYLFCXMPUHTGC-UHFFFAOYSA-N 283.371 4.762 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2cccs2)c(C)c1C 83193520 AEIOIOIPVATLGQ-VQHVLOKHSA-N 286.396 4.660 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](C#N)(NCc2cccs2)CC1 86959712 CXLLMROBXJDCIJ-PBHICJAKSA-N 290.476 4.726 30 10 CJEE SCC1(CSCc2ccco2)CCCCCC1 94588969 KHDWFWUFYDNILC-UHFFFAOYSA-N 270.463 4.783 30 10 CJEE CCCCCC(C)(C)CN[C@@H](CC#N)c1ccccc1 94987621 JRXXCWFAQHODHV-KRWDZBQOSA-N 272.436 4.837 30 10 CJEE CC#CCCc1ccc(Oc2ccccc2)cc1C 107617756 KXJGIZNBJAQLKV-UHFFFAOYSA-N 250.341 4.743 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1cc(Cl)c(C)cc1OCC 107621368 OHTACAWTBLPFIF-YPMHNXCESA-N 264.796 4.810 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(OC)c(Cl)cc1OC 107673965 XNCVFKHEIVXNBO-NWDGAFQWSA-N 280.795 4.510 30 10 CJEE Cc1ccc2c(c1)CCCN2c1cc(Cl)ccc1C#N 110253496 YODNBSICVYNLHC-UHFFFAOYSA-N 282.774 4.604 30 10 CJEE CCCC1CCC(Nc2ccc(Cl)cc2C#N)CC1 110256154 SDDVXSPLVNWIQY-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C(C)C)cc1Oc1ccccc1C#N 110262788 RFSWRFVRAFKBTH-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCCCCCCN(CCC(=N)N)C(C)C 110322447 SXEJFSBMAQNYRJ-UHFFFAOYSA-N 297.531 4.944 30 10 CJEE Cc1ccccc1Sc1ccc(Cl)cc1C#N 110354262 MLNGNXXDAUEBIO-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE CCCCCCC[C@H](C)N1C[C@H](CCN)c2ccccc21 110418200 OQBLSCYPCLXZSM-IRXDYDNUSA-N 288.479 4.688 30 10 CJEE CCCCCCCCCCn1ccc(C[C@@H](C)N)c1 117598677 CNZSUENNFBJESB-MRXNPFEDSA-N 264.457 4.519 30 10 CJEE CCCCCCCCCC[C@H](NC)C1(N(C)C)CCCC1 118174009 PRKMKNCHCPGFGG-SFHVURJKSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCC1(c2cccc(C)c2)CNC1 118885924 HGMLLMDKGOSLGF-UHFFFAOYSA-N 273.464 4.977 30 10 CJEE N#Cc1cc(Cl)nc(Oc2ccc(Cl)cc2Cl)c1 122560533 VLOXCVBGFDLADJ-UHFFFAOYSA-N 299.544 4.706 30 10 CJEE CC#CCC[C@H](NCCC)C1(CC(C)C)CCCC1 124637724 ATXPMVSLUNNPIH-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCCCC[C@H](NN)c1cccc(CC(C)C)c1 125142457 RUYCHDZHGMMRTC-SFHVURJKSA-N 276.468 4.750 30 10 CJEE CCCCCCCOc1cc(Cl)nc(C(C)C)n1 126396248 IDRRTBUPIQQUSO-UHFFFAOYSA-N 270.804 4.603 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccc(C#N)c(Cl)c1)C2 126484928 XLYLDGUOXXWICO-MJEQTWJJSA-N 289.806 4.805 30 10 CJEE CCCCCCCC[C@H](N)c1c(Cl)cnn1CCC 127476238 CBFMJWBRSWXNQU-AWEZNQCLSA-N 285.863 4.697 30 10 CJEE CCCCCCC[C@@H](CC[C@@H](C)OC)NCCC 139568817 ZVAKWUZDUKVGTM-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)c1ccccc1 143801520 JJXSCYOKFMFGRH-INIZCTEOSA-N 278.392 4.580 30 10 CJEE CC1(C)CCC(C#N)(Cc2c(F)cccc2F)CC1 157678557 BLKVBEBDXBDQCU-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE CCCCCCCC(=O)C1(OC)CCC(C)CC1 159844922 BEGQLDJCBIMPTF-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE CCCCCCCCn1c(N)nc2cccc(Cl)c21 161088990 RKXGDOVVLCGQDJ-UHFFFAOYSA-N 279.815 4.632 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc2c(s1)CCSC2 167728424 DTPGUNDUXAKAJS-CQSZACIVSA-N 295.517 4.934 30 10 CJEE C[C@H]1CCN(CCCC(C)(C)C#N)[C@@H]1c1cccc(F)c1 175150583 VBTFZAUSKGGUFD-YOEHRIQHSA-N 288.410 4.539 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(Cl)c1C 203460287 NXISZITUBVKJTH-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE Cc1cc(C#N)ccc1Nc1cccc(C(F)(F)F)c1 203463106 VZXKBCCXVNTJRM-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCC(CCC)c1nc2cc(C#N)ccc2n1C1CC1 212381787 FWQFTKFJVISXLX-UHFFFAOYSA-N 281.403 4.927 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1cc(C)ccc1/C(C)=N\O 215967058 FDQUZVZAGHLQBC-BKJUIBSQSA-N 275.392 4.541 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1SCc1ccco1 222267377 OTRIHLUVBGZYCI-BQFCYCMXSA-N 297.423 4.989 30 10 CJEE Cc1cc(C)cc(CSc2cc(F)cc(C#N)c2)c1 227639590 RCKIMCCQMQQKNM-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC3(CCCC3)O2)C1 229466376 GGUJVWSZCRVHNU-IXDOHACOSA-N 275.436 4.978 30 10 CJEE CCCCCCCCC[C@H](O)c1sc(C)nc1C 232940463 AJNCUTSZMHZESK-AWEZNQCLSA-N 269.454 4.934 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H](C)C(C)(C)C 232972259 JCMYWAXKYBGIKU-DLBZAZTESA-N 284.532 4.821 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)CC1CCC1 232973453 LCCOEMKUSNPDAA-GOSISDBHSA-N 282.516 4.576 30 10 CJEE CC#CCC[C@H](NCC)c1cc(Cl)sc1Cl 233538911 LJNJMDXMKWIHDW-JTQLQIEISA-N 276.232 4.509 30 10 CJEE C=CCCCCC[C@H](NCC)c1sccc1C 233547825 SDRCLODIWUQULG-AWEZNQCLSA-N 251.439 4.844 30 10 CJEE C=CCCCCCSc1ccc([C@H](C)NC)cc1 234426023 YXUUZZZCVIZZJX-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE C[C@@H](O)c1cccc(SCCCCC(C)(C)C#N)c1 235281921 YROQYNSAKHYCLC-CYBMUJFWSA-N 277.433 4.552 30 10 CJEE Cc1ccc(Sc2ccc(C)c(C)c2)c(C#N)c1 235885305 IYEBHBZXUJKFMF-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCOC2(CCCCC2)C1 236405029 WAZQZAVZJYNKLO-MRXNPFEDSA-N 276.420 4.576 30 10 CJEE CCC1CCC(N(C)[C@@H]2C[C@@H](CC)CC[C@H]2C#N)CC1 251724005 SCFJRGAJHDEDNT-HBWZYELFSA-N 276.468 4.605 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C)cc2C(C)=NO)C1 252464145 HOWFIYCMSNVSFW-HUUCEWRRSA-N 275.392 4.541 30 10 CJEE C[C@H]1[C@H](C)CCCN1CCCCCCCCCS 252974235 UPPOSYJTTXLNNW-CVEARBPZSA-N 271.514 4.767 30 10 CJEE CC(C)c1nc2cc([C@H](CC#N)C3CC3)ccc2s1 260473514 JQPNZEWCHIWBOD-CYBMUJFWSA-N 270.401 4.827 30 10 CJEE Cc1ccc2c(c1)C1(CCCCC1)[C@@H](CC#N)CC2 260513222 HZXCKTIBXNICKP-MRXNPFEDSA-N 253.389 4.673 30 10 CJEE CCN(Cc1ccccc1)c1ccc(C#N)c2ccccc12 309794539 YFWWSFKYHGQXPM-UHFFFAOYSA-N 286.378 4.738 30 10 CJEE CCCCCCC[C@@H](CN)N(CCC)Cc1ccccc1 383650472 NVFKDFVSRMOSAN-IBGZPJMESA-N 290.495 4.586 30 10 CJEE C[C@H]1CCCC[C@H]1CNc1ccc(C(C)(C)C#N)cc1 394890321 VGCCNZYVJHDRGH-GJZGRUSLSA-N 270.420 4.726 30 10 CJEE CCCCCCCOCCC(CC)(CC)CNC1CC1 395970786 NETWGOPTRUOVLI-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CC(C)c1ccc(NC[C@@H](C#N)C2CCCC2)cc1 397294814 NOCNDQVXXNDPTB-MRXNPFEDSA-N 256.393 4.552 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl 398198503 UXJQCLMRUKBXKI-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE C=CCCC[C@H](C)N[C@@H](c1ccccc1)c1ccco1 398205651 YAAGUYIWZFEGRG-YJBOKZPZSA-N 269.388 4.703 30 10 CJEE N#Cc1ccc(CNc2ccc3sccc3c2)cc1F 404248327 IGCXBKDKVAPEQQ-UHFFFAOYSA-N 282.343 4.524 30 10 CJEE C[C@@H](NCC1(C#N)CCCC1)c1ccc(Cl)cc1Cl 405173398 PSJKKACWAKTCFJ-LLVKDONJSA-N 297.229 4.728 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(C)(F)F)c1 444937687 QKXWGTPUXSLAMF-GFCCVEGCSA-N 296.361 4.665 30 10 CJEE N#CCc1ccc(-c2c(Cl)ccc(Cl)c2Cl)nc1 514263551 FSVJEUARIRQMNK-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@@H](O)c1cc(Cl)sc1Cl 686676807 IAOUTSFMFKAQAI-SNVBAGLBSA-N 277.216 4.672 30 10 CJEE N#Cc1ccc(OCc2ccsc2Cl)c(Cl)c1 687994715 VIHXTYSJZZLFAX-UHFFFAOYSA-N 284.167 4.506 30 10 CJEE CCCCCCCC(=O)c1cccc(OC2CC2)c1F 688612078 GFMUXKMSPXQUHP-UHFFFAOYSA-N 278.367 4.910 30 10 CJEE CCCCCCC[C@@H](O)c1cccc(OC2CC2)c1F 688676000 PETBVFVOLAZXPP-OAHLLOKOSA-N 280.383 4.761 30 10 CJEE CC[C@H]1CCCCC[C@@H]1Nc1cccc(CC#N)c1 691052704 HEUYACYHGPFQGS-RDJZCZTQSA-N 256.393 4.523 30 10 CJEE C[C@@H]1CCCCC[C@@]1(C#N)Nc1ccc(Cl)cc1 691101976 KNNCCLDEYKMTTO-DOMZBBRYSA-N 262.784 4.614 30 10 CJEE Cc1nc(CC2(C=O)CC(C)(C)CC(C)(C)C2)c(C)s1 691346263 RNGVMRNFYMAJJN-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE CCCCCCCC[C@H](O)c1cc(COC)cs1 695542599 HQXMPFHQCPSCNV-AWEZNQCLSA-N 270.438 4.679 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1ccc(Cl)cc1C#N 695668718 YERLYPBTOWRGBG-FZMZJTMJSA-N 264.800 4.838 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(Cl)ccc3OC)C[C@@H](C1)C2 697335027 ZAWCWBBSXIQFPY-NNQSOWQGSA-N 291.822 4.895 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc2cnccc2c1 702764598 FENQEHLBRIZUTG-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CCCC12CC2 706250664 RSTJJQKLZLAAGY-CVEARBPZSA-N 266.473 4.539 30 10 CJEE C=CC[C@H](C=C)O[C@@H]1CCCCCCCCCC[C@H]1O 706664008 RFPLJEXFZPZKQB-RCCFBDPRSA-N 280.452 4.778 30 10 CJEE C=C1C[C@H]2CC(N[C@H]3C[C@H](C)CC(C)(C)C3)C[C@@H](C1)C2 708332796 XNZROFGVXDOMBC-AQDBYXPISA-N 275.480 4.926 30 10 CJEE Cc1cccc(C#N)c1Nc1cccc(C2CCC2)c1 709700281 AHTXSVXKBSMVRV-UHFFFAOYSA-N 262.356 4.878 30 10 CJEE C[C@@H](CC1CCCCC1)Nc1ccc(Cl)c(C#N)c1 709758277 ILANKOTYEOSDBN-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(F)c1 715767780 DYSXEUUBTHZNIQ-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=C1CCC(C[C@@H](O)c2c(C)cc(C)cc2C)CC1 724555139 CCVIVIATJKFSJZ-QGZVFWFLSA-N 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4.672 30 10 CJEE C=CCC1(C(=O)N(Cc2ccccc2)C2CC2)CCCCC1 1265282256 WTHZBKBICFVCOQ-UHFFFAOYSA-N 297.442 4.704 30 10 CJEE C=CC[C@@H]1N(C(=O)/C=C(/C)C(C)(C)C)CCCC1(C)C 1270803946 XTDSRTNKPJMAMO-PLFFATQSSA-N 277.452 4.572 30 10 CJEE C=CCC[C@H](CCC)N[C@H](COC)c1ccc(Cl)cc1 1308725820 VMLRZMWXWRBNKG-DLBZAZTESA-N 295.854 4.752 30 10 CJEE C=C(C)CCC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 1350045125 ROZYQKHWAPSOOG-LBPRGKRZSA-N 299.336 4.581 30 10 CJEE C=CC[C@@H]1CCN1Cc1ccc(Cl)c2ccccc12 1460910374 VEBHHFNGIIQYPW-CQSZACIVSA-N 271.791 4.644 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccc(Cl)cc1F 1462229311 ZZVDLXYDPMEQKF-MRRJBJDNSA-N 293.813 4.712 30 10 CJEE CCCCCCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1 1473271469 BQNANULQUBDNHT-WBVHZDCISA-N 295.492 4.870 30 10 CJEE C#CCC1(NCc2cccc(-c3ccc(C)cc3)c2)CCC1 1474277157 ZNGKYGDYIVJAGO-UHFFFAOYSA-N 289.422 4.698 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 1474637845 NDVBBYAFDJLBOE-JGNHQEBTSA-N 287.422 4.578 30 10 CJEE 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CCCCCCCCC[C@](C)(N)[C@@H](CO)CCCC 2278236739 GOZNHSMAZKXHKU-SJORKVTESA-N 271.489 4.643 30 10 CJEE Cc1cccc2ccc([C@]3(C#N)CCCC3(C)C)nc12 2279722048 FQDFISXXNGSWTM-GOSISDBHSA-N 264.372 4.515 30 10 CJEE C=CCCCCCCC[C@H](NC)c1nc(C)ccc1F 2279932514 XBXNATKXMMBCSA-INIZCTEOSA-N 278.415 4.706 30 10 CJEE CCCCCCCCN(C)Cc1ccc(N)c(C)c1C 2283476807 RATSYGQTGHBDLP-UHFFFAOYSA-N 276.468 4.678 30 10 CJEE CCN[C@@H]1C[C@@H](CC=CC#CC(C)(C)C)CCC1(C)C 2284070149 BZUWUKUPSOURGH-DLBZAZTESA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC[C@H]1CNC(C)(C)C 2284083322 FITOTEDWWVKTLF-SJORKVTESA-N 275.480 4.787 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1C=CCCC1 2284087320 CFPLHZRQPMSXFZ-ZWKOTPCHSA-N 273.464 4.707 30 10 CJEE COc1ccc(Cl)c(CC2(C=O)CCC(C)(C)CC2)c1 2284396522 VZMONVACHJMLQB-UHFFFAOYSA-N 294.822 4.677 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CCCCCCCCCCO 2286819406 LMFKJOVGTMPRAT-MSOLQXFVSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCCOc1ccc(C[C@@H](N)CC)c(Cl)c1 2287470522 RFVWIUXIPRGARN-HNNXBMFYSA-N 295.854 4.745 30 10 CJEE CC[C@H](C)[C@@H]1CSC(=NCC[C@H](C)CCCC(C)C)N1 2287886014 QZLPYZLWTDPZIO-PMPSAXMXSA-N 298.540 4.946 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cccc(C)c1C 2289710132 IXPXYEYRHKHVNC-IBGZPJMESA-N 269.432 4.538 30 10 CJEE CC1(C)CCC2(CC1)CC(NCC#CC1CCCC1)C2 2289845006 QMDTWSOJQMZUBV-UHFFFAOYSA-N 273.464 4.519 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)C2CC(C(C)(C)C)C2)C1 2289969660 UKLKZJFXQSPZJH-AWQOMJGESA-N 277.452 4.530 30 10 CJEE CC[C@@H](C)[C@@H]1CNC(=NCC2CC(CC(C)(C)C)C2)S1 2290033967 RXLGARAHRXQWIM-URGYJCLVSA-N 296.524 4.556 30 10 CJEE Cc1ccc(C#N)cc1OCC1CC(CC(C)(C)C)C1 2290036060 XNCFMBQCVUMIOC-UHFFFAOYSA-N 271.404 4.708 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC[C@H](C)CC1 2290918425 PRTXIGIMUMDWGM-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@](C)(OCC(=O)O)C1(C)CCC1 2291271099 DYIJDGLZOCDMIB-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@H](OCC(=O)O)c1sccc1C 2291661227 UJCDPBCEBDZRQL-AWEZNQCLSA-N 296.432 4.725 30 10 CJEE CCCCCCC[C@@](CC)(OCC(=O)O)[C@@H]1CC1(C)C 2291788381 NUFDCXZRXMNAAO-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)C1(CCC)CCC1 2291939708 LIBRJKQDIJAYQY-OAHLLOKOSA-N 284.440 4.787 30 10 CJEE CCCC#CC[C@@](C)(CCCCCCCC)OCCN 2292879300 MIABCLKRVDUEIN-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CC(C)(C)C[C@@H]1C 2292892824 MFGYZLDNXBZYFV-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCCN)c1ccsn1 2293215781 CSEYUQSYILGKTN-INIZCTEOSA-N 298.496 4.690 30 10 CJEE C=CCCCC[C@]1(OCCCN)CCC(C)(C)C[C@H]1C 2293267774 CCDJTNVKEHHULN-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=C([C@H](OCCCN)c1ccc(Cl)c(C)c1)C(C)(C)C 2293362928 OQTVULNDRMUHNH-INIZCTEOSA-N 295.854 4.657 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)C1CCCC1 2293993801 GVCIJTFTEUAMPO-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@H](CC1[C@@H](C)[C@@H]1C)OCCCN 2294206019 ISJGODFMGOMYGI-YESZJQIVSA-N 283.500 4.763 30 10 CJEE Cc1c(C)c(C)c(C[C@]2(C=O)CC[C@@H](C)C2)c(C)c1C 2294723642 SDYNQBOVQYZJOR-BLVKFPJESA-N 272.432 4.777 30 10 CJEE CCCCCCCCC[C@H](C)N(C)[C@@H]1CCC[C@H](N)C1 2295513968 CZPUQDLWJIVCKW-OKZBNKHCSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@@H](C)N1CCC[C@@](N)(CC)C1 2295531500 LTJQFMKNLOPWRQ-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)C=C1CCCC1 2295672758 ALZRVAZNCDVWNP-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1cscc1C 2295673667 JXAFTILBKHDAGJ-DLBZAZTESA-N 297.508 4.948 30 10 CJEE C=CCCCOCCCCCCCCCCC(=O)OC 2296250464 JVFNMIDOHFLLPG-UHFFFAOYSA-N 284.440 4.653 30 10 CJEE CC(=CC(=O)c1ccccc1)Nc1cccc(Cl)c1C 2297351303 DCWZIVSGHCRSEL-UHFFFAOYSA-N 285.774 4.847 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(F)c(Cl)c1 2304077829 DBECDZJECLDMDK-CQSZACIVSA-N 254.732 4.654 30 10 CJEE C[C@H]1CC[C@@H](CSCC2(CS)CC(C)(C)C2)C1 2304520581 KTRNNDAETOKKMV-QWHCGFSZSA-N 272.523 4.892 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2304581803 DWMKDELJKNUYJS-OIBJUYFYSA-N 279.783 4.812 30 10 CJEE CC(C)C[C@@H](CS)CO[C@H](C)C1CCCCC1 2308050125 BIYCWHROROOBLB-ZIAGYGMSSA-N 258.471 4.564 30 10 CJEE CC(C)C[C@H](CS)CSC1CCC(F)(F)CC1 2308061921 KQRCRKJABZXIBO-LLVKDONJSA-N 282.465 4.890 30 10 CJEE C=CC[C@@H](C)SCC(=O)c1ccc(CCC)cc1 2313705740 WHLPYVJVPFFMIE-CYBMUJFWSA-N 262.418 4.520 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COCC1(CS)CCCC1 2320142904 GALYPSRCYNGHIN-UONOGXRCSA-N 270.482 4.566 30 10 CJEE CC1=C(C)C[C@H](C[C@@]2(C=O)CCS[C@H](C)C2)CC1 2320407995 GXYAFFOPVGQBRJ-BZUAXINKSA-N 266.450 4.614 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCC[C@H]1C[C@@H]1C)NC 2321111626 AKJHRWXDRIYRMA-QAETUUGQSA-N 251.458 4.783 30 10 CJEE N#C[C@]1(CCC2(C(F)(F)F)CC2)CCC12CCC2 2321589110 IAZZRZHUTLDDOI-CYBMUJFWSA-N 257.299 4.583 30 10 CJEE C[C@@H]1CC[C@H](OCC2(CS)CC(C)(C)C2)C[C@H]1C 2321711739 UGFJCVWJWPZRJJ-MCIONIFRSA-N 270.482 4.564 30 10 CJEE C[C@H]1CCC[C@@](C#N)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2329794829 PYHGMYOSRLELOD-ZQNQSHIBSA-N 267.363 4.778 30 10 CJEE CCCC(CS)(CCC)CO[C@H]1CC[C@@H]2[C@H]1C2(F)F 2333881876 FQNDXNLUXNCGOO-FRRDWIJNSA-N 292.435 4.563 30 10 CJEE C=CC[C@H](C)S[C@H]1C[C@@H](NCCC)CC2(CCC2)C1 2335103810 QXAWXPHOPUJRSK-XHSDSOJGSA-N 281.509 4.775 30 10 CJEE C=CC1(NCc2c(F)ccc(C)c2Cl)CCCCC1 2335422888 XYRWJAVXFCKZDQ-UHFFFAOYSA-N 281.802 4.766 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc2sccc2s1 2337427067 KHKHCXFWQMXASN-CYBMUJFWSA-N 289.469 4.807 30 10 CJEE CCC1CCC(C#N)([C@@](C)(O)CCCC(C)C)CC1 2337650977 KSJSANULIMXADJ-CGZBRXJRSA-N 265.441 4.674 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccncc1C(C)C 2338614184 ZLJHJUKEZWFTGC-QGZVFWFLSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1nc(C)sc1C 2338741507 OATSJLAWPVZODL-MRXNPFEDSA-N 278.465 4.569 30 10 CJEE C=CCC(CC=C)[C@H](O)[C@@H]1C[C@H]1C1CCCCCC1 2338743458 FOGLTVBPOJUSLJ-KSZLIROESA-N 262.437 4.722 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1C(=O)O 2338746796 JXKIVASQZPYCAH-XHSDSOJGSA-N 264.409 4.528 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(F)cc1C1CC1 2339203286 SQGVPPADZGQWJL-QGZVFWFLSA-N 261.384 4.710 30 10 CJEE CC1(C)CC[C@@]1(C#N)Cc1ccc(F)cc1C1CC1 2339218435 BSVOFJCGKDQKEX-KRWDZBQOSA-N 257.352 4.576 30 10 CJEE C=CCCCCCCNCC1[C@H]2CCCCCC[C@H]12 2340945921 QECMAEGCCCTHFF-IRXDYDNUSA-N 263.469 4.929 30 10 CJEE CO[C@H]1CCC[C@](C#N)(CCCC2=CCCCC2)C1 2341040960 KBWLJDLPNGSAEY-DLBZAZTESA-N 261.409 4.756 30 10 CJEE CCCCCCCCCC[C@@]1([C@H](C)O)CCCCO1 2341236136 CXHFXOIBZKCLFH-IRXDYDNUSA-N 270.457 4.837 30 10 CJEE CCC(CC)(CS)CN(C)C[C@H]1CC[C@H]1C(C)(C)C 2343170617 XLDRNPJDQITROE-HUUCEWRRSA-N 285.541 4.727 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@@H]1CC[C@H]1C(C)(C)C 2343215489 MOWPDCJRGQNGIW-BRWVUGGUSA-N 263.469 4.621 30 10 CJEE C=CCC(C)(C)[C@H](NCC)c1coc2ccccc12 2344339480 JNAXREVFVICECL-MRXNPFEDSA-N 257.377 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(F)cc1F 2344341657 DHOZVWBTGISGFQ-HOTGVXAUSA-N 267.363 4.608 30 10 CJEE C=CCC(C)(C)[C@H](NCC)C1CC2(C1)CC(C)(C)C2 2344380712 SBLDGDMTVURSMG-OAHLLOKOSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc2c(c1)CCC2(C)C 2344419335 GHAYTGLTVYZTFW-UHFFFAOYSA-N 256.389 4.695 30 10 CJEE CCCCCCCC[C@H](N)c1cncc(C(F)F)c1 2353490909 KQPZOEVHZOIGST-AWEZNQCLSA-N 270.367 4.770 30 10 CJEE CCCC[C@@H](CC)N(C)c1ccc(C#N)c(SC)c1 2353846124 PHAXYXCKFWHDDX-CQSZACIVSA-N 276.449 4.685 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)NCC 2357492006 HHRHWZDWAFLIAE-YDZRNGNQSA-N 269.432 4.504 30 10 CJEE N#Cc1cc(F)c(OC(CC2CC2)CC2CC2)cc1Cl 2360198813 OQZNSEQJDBAEFF-UHFFFAOYSA-N 293.769 4.698 30 10 CJEE CCCS[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 37156109 FCNPLZLZMXWSDQ-RDBSUJKOSA-N 253.455 4.874 30 10 CJEE CCCCCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 37318228 PPJWXVDFBAYSAU-LSDHHAIUSA-N 258.409 4.568 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cccc2ccccc12 37937992 ZOLHIHNILZRDJW-LJQANCHMSA-N 272.351 4.825 30 10 CJEE N#CC[C@H](Sc1nc2ccccc2o1)c1ccccc1 55022503 QJSJHVHPGQEZIE-HNNXBMFYSA-N 280.352 4.575 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2ccccc2)c1C 57684473 NVSCSQLAKOFYOQ-GOSISDBHSA-N 279.383 4.770 30 10 CJEE COc1ccc(Cl)cc1[C@@H](C#N)[C@H](C)c1ccccc1 57747021 IZMNHQJUQLMZIE-WBMJQRKESA-N 285.774 4.759 30 10 CJEE CCCCCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N 59083471 GYQXIPBAPRPKLS-YESZJQIVSA-N 283.500 4.906 30 10 CJEE CCCCCCCCOc1c(OCC)cccc1C(=O)O 59106849 NXUAWHFCGOCONA-UHFFFAOYSA-N 294.391 4.523 30 10 CJEE CCCCCCCCNc1ccc(OCC)c(OC)c1 59456354 OHYTUNKDVHEUAO-UHFFFAOYSA-N 279.424 4.866 30 10 CJEE C[C@@H]1CCC[C@H](CCNc2ccc(C#N)cc2Cl)C1 70539561 AREBUARJCFRELJ-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE N#Cc1oc2ccc(-c3ccccc3)cc2c1C1CC1 77072011 ZUODCJUPFBNXOB-UHFFFAOYSA-N 259.308 4.849 30 10 CJEE CCc1oc(-c2ccccc2O[C@@H](C)CC)cc1C#N 77076819 MEFAAXLQHZFUEH-LBPRGKRZSA-N 269.344 4.558 30 10 CJEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1ccccc1 83193007 SGXLVQIKDDTTCA-FMIVXFBMSA-N 280.367 4.678 30 10 CJEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(F)cc2)c1C 83193769 UJXGWUUKDRBASJ-JXMROGBWSA-N 282.358 4.955 30 10 CJEE COc1ccc(Cl)cc1C[C@]1(C#N)CCC[C@H](C)C1 87930511 UEEILFDBWNGYGU-LRDDRELGSA-N 277.795 4.611 30 10 CJEE CC1(C)CCCC[C@]1(C#N)Nc1cccc(Cl)c1 94281620 ZRZTZRCCDZRBSQ-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE SCCCCCCOc1cccc2ccccc12 94583020 XRCQZRZWVMZIDN-UHFFFAOYSA-N 260.402 4.709 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)nc2ccccc12 97284123 XYYMMKCBRRFPLU-GOSISDBHSA-N 268.404 4.550 30 10 CJEE C=CC[C@@H](Sc1ccccc1)[C@]1(C)CCCCC1=O 104837417 TYLRCBBPGXAOQA-IAGOWNOFSA-N 274.429 4.873 30 10 CJEE CCC#C[C@@H](C)Cc1cc(Cl)cc(Cl)c1OC 107654995 LOERMMCOZSHQPM-SNVBAGLBSA-N 271.187 4.594 30 10 CJEE C[C@H]1CCCC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 110256724 CFPSEYVURZVXDK-WCQYABFASA-N 296.336 4.815 30 10 CJEE CCCCN(C1CC1)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 110264138 YFNVWHJDYMZBFT-NUJGCVRESA-N 290.495 4.996 30 10 CJEE CCCCCCCCCNc1ccccc1COC 110449005 FLZFZMTUXGLXHL-UHFFFAOYSA-N 263.425 4.996 30 10 CJEE CCCCCCCCCC[C@@H](COCC)NCCC 115249435 CSSULSDKSIFHNI-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCC[C@@](C)(O)c1cccc(Cl)c1 115827986 LMVITJMMDGAYIX-OAHLLOKOSA-N 254.801 4.908 30 10 CJEE CCCC1CCC(Nc2cc(C#N)ccc2Cl)CC1 125729954 QJGFDZZRNLXQNC-UHFFFAOYSA-N 276.811 4.982 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)cc1C#N 126235151 FVDUWZCTNJMRSD-CYBMUJFWSA-N 262.372 4.858 30 10 CJEE N#Cc1ccc(-c2csc([C@H]3CCCCS3)n2)cc1 126461249 YJNBUVJNSPHBKM-CQSZACIVSA-N 286.425 4.640 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](CCC)OC 126987737 SXMVSSYZAIKYCZ-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(OC)cs1 159158984 BCAWMYIILUUYIE-AWEZNQCLSA-N 269.454 4.768 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cc(F)cc(C(F)(F)F)c1 159298020 BFISFXSBPYZCFW-CQSZACIVSA-N 294.251 4.521 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@](C)(CC)OC 163642075 ZGDASVZOHSTFSO-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 167572508 NCYLPPQZISESPV-VNHYZAJKSA-N 288.460 4.907 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)C[C@@H](C)c2ccccc2)C1 218457590 RFKNCWQPAJRFCE-FPAYPSAMSA-N 285.431 4.651 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cccc(Cl)c2F)C1 228392203 ZNKSYJUDCWHXDN-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE C=CCSCCN[C@@H](C)c1oc2ccccc2c1CC 231932719 NQTJPAPDHHCXPZ-ZDUSSCGKSA-N 289.444 4.565 30 10 CJEE CC(C)Oc1cccc(C(=O)C=C2CCCCC2)c1 232711022 RTNJESVWDXXDOQ-UHFFFAOYSA-N 258.361 4.547 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@H](/C=C/C)c1ccccc1 238052886 ASODXXYVMIVIJJ-RFKZRZAASA-N 287.403 4.727 30 10 CJEE CC[C@H](C)CN(CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251952916 URYWTVVJSRDEMN-LUKYLMHMSA-N 278.484 4.709 30 10 CJEE CCC[C@@H](C)COc1c(C(C)=NO)ccc2ccccc12 252430280 FXGLDDNFYYVSHD-CYBMUJFWSA-N 285.387 4.853 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1C 253036187 IFLIKFRSLUHHRU-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE Clc1cc(Cl)c(N=Cc2cccnc2)cc1Cl 254287139 KVPWDKHJWGPPOK-UHFFFAOYSA-N 285.561 4.792 30 10 CJEE Cc1cccc2c1c(CC(C)(C)C#N)cn2C(C)C 260510225 WLPMUQCSNMHOIN-UHFFFAOYSA-N 254.377 4.623 30 10 CJEE Cc1[nH]c2cc(C3(C#N)CCCCC3)ccc2c1C 260548221 IPOCJPMFYTWRIE-UHFFFAOYSA-N 252.361 4.510 30 10 CJEE CCCN[C@](C#N)(CC)CCCS[C@@H]1CCC[C@H](C)C1 300209350 UUCJXGYMRAWTAD-GVDBMIGSSA-N 296.524 4.750 30 10 CJEE CCCN[C@](C#N)(CC)CCCS[C@H]1CCC[C@H](C)C1 300209351 UUCJXGYMRAWTAD-YESZJQIVSA-N 296.524 4.750 30 10 CJEE CC(C)(C)C#CCn1ccc2c(Cl)cc(Cl)cc21 302252449 LHNXMRAFWUOBJX-UHFFFAOYSA-N 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10 CJEE CCCCCCCCC[C@](C)(O)C(=O)c1cnc(C)s1 2295595816 CVJCCYUXWKRCBB-INIZCTEOSA-N 297.464 4.526 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](NCC)C1CCC1 2295678465 YTHHZWMYDALPJZ-ZWKOTPCHSA-N 283.500 4.656 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@H](C)SC 2299414387 WZIKDCLFIRAQEX-LSDHHAIUSA-N 257.487 4.762 30 10 CJEE C=CCC(CC=C)Cc1cc(Br)ccc1OC 2301044247 OCMCACULKYPTEN-UHFFFAOYSA-N 295.220 4.769 30 10 CJEE C=CCC(C)(C)C(=O)Cc1ccc(Cl)cc1Cl 2304084190 QPXCROYIPZSRSG-UHFFFAOYSA-N 271.187 4.707 30 10 CJEE CCCCCCC[C@@H]1NC[C@@H](C)C[C@H]1C(F)(F)F 2316189218 MFXHNHIYFSVFKD-XQQFMLRXSA-N 265.363 4.523 30 10 CJEE N#CCCCCCOCCC1CCCCCCC1 2319545538 FXFDZNLWCVHIFT-UHFFFAOYSA-N 251.414 4.838 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H](C)CC(F)(F)F)NCC 2321129864 DZWHTSORXFBXQH-NEPJUHHUSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccc(C)c(F)c1Cl 2321139211 XSNOZSOSWXNJCS-OAHLLOKOSA-N 268.759 4.963 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(Cl)c(F)c1 2321176711 GTEGIGFINIRMTK-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1C[C@@H](F)C1 2327482232 MPYWSHLZOICBKB-HRCADAONSA-N 257.437 4.853 30 10 CJEE CC[C@H]1CCC[C@](C#N)(C[C@@H]2CC[C@H](COC)C2)C1 2331336627 RAHDYWYLHNIDTG-VVLHAWIVSA-N 263.425 4.549 30 10 CJEE C=CCC(CC=C)S[C@@H]1[C@H](N)C[C@@H]2CCCCC[C@H]21 2335095790 GBAOGRINTYDIOI-SVGFKBNWSA-N 279.493 4.537 30 10 CJEE C=CCCCC[C@@H](NC)c1cc(C)c(OC)c(Cl)c1 2335112440 MKZBOCMHZZTDLY-OAHLLOKOSA-N 281.827 4.664 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1NC 2335191741 RSGAHZSDOQDKAE-CAOSSQGBSA-N 283.525 4.877 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CC2)[C@@H]1NCC 2335191932 SUYULJVLPBNKFV-JKSUJKDBSA-N 279.493 4.551 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1C[C@@H]1C1CCCCCC1 2338669030 ZJJDKVZKYAXXSP-SJORKVTESA-N 260.421 4.930 30 10 CJEE C=CCC(CC=C)[C@H]1CCCCC[C@H]1CNC(C)C 2338724477 HZRKZNAXNFLZLL-ZWKOTPCHSA-N 263.469 4.949 30 10 CJEE CCC#CC[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2338777118 ZILMPEFCXUTEPE-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1ccc(F)cc1C1CC1 2339210162 KFKIJDHRRYQGBX-INIZCTEOSA-N 281.802 4.886 30 10 CJEE C#CCCCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2341163647 VKIDUYMQOFTGDG-INIZCTEOSA-N 299.241 4.871 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2CC[C@H]2C2CC2)NC)CC1 2342274912 XGEPKCFVVSRWJP-KURKYZTESA-N 261.453 4.537 30 10 CJEE C=C(CC)C[C@H](N)[C@@H](c1ccccc1)C1CCCC1 2342359946 GYKCKYCSRBVXQY-ROUUACIJSA-N 257.421 4.644 30 10 CJEE CC1(C)C[C@](C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)CCO1 2343243631 SQEOSFOZOQFJDU-JJRVBVJISA-N 263.425 4.548 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1cccc(C(C)C)c1 2343748148 UQBOLQCXWWMACT-AEFFLSMTSA-N 257.421 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1ccccc1C1(C)CC1 2344343391 DHWPDCSSNJOYIA-SJORKVTESA-N 257.421 4.730 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CCC2(CC1)CC2)NCCC 2344348252 IUDMJCXIEFXPBV-NVXWUHKLSA-N 263.469 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1CC2(CC2)C1)NCCC 2344368335 CNKQLBSLPFJJBV-IAGOWNOFSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCCC 2344380725 LPIAWGIORCAJHQ-IGQOVBAYSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(F)ccc1C(F)F 2344463902 HJQZYGKSXSCLDW-DZGCQCFKSA-N 272.310 4.789 30 10 CJEE C=CC[C@H]1CCCCN(CC[C@@H]2CCC(C)(C)C2)C1 2344855099 RBQZPRDHGUWUHK-IRXDYDNUSA-N 263.469 4.881 30 10 CJEE C=CCOc1ccc([C@@H](O)C[C@H](CC)CCC)cc1 2353458957 XKFASMQTGBJBLD-PBHICJAKSA-N 262.393 4.501 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCc2ccccc2[C@@H]1NCC 2360323911 LUWXTDHKNDMBRO-QGTPRVQTSA-N 289.488 4.740 30 10 CJEE CCCCCC[C@@H](C)Oc1c(C#N)cnc2ccccc12 36913445 IREQUPTVFQMZBY-CQSZACIVSA-N 282.387 4.844 30 10 CJEE Cc1cccc([C@@H](C#N)Nc2ccccc2Cl)c1C 43315164 XUHDBAQQDDRCFP-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#CCCCCNc1cc(Cl)c(Cl)cc1Cl 49578373 KBIXRXAWTRFLGZ-UHFFFAOYSA-N 277.582 4.753 30 10 CJEE CCN(CC)/C(=N\c1ccccc1Cl)c1ccccc1 54473219 XEAHRCJPNCQZFX-ZPHPHTNESA-N 286.806 4.760 30 10 CJEE Cc1cccc(OCCC[C@H](C#N)c2cccc(F)c2)c1C 57688528 YRLCEYQINNSGCI-QGZVFWFLSA-N 297.373 4.909 30 10 CJEE Cc1cc(Cl)ccc1Nc1cc(C#N)c2ccccc2n1 68772102 SXDUCMVCTUWAKW-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CC(C)(C)c1c(C#N)oc2c(Cl)cc(Cl)cc12 77071739 MHIRLAQRAMCBSV-UHFFFAOYSA-N 268.143 4.909 30 10 CJEE COc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)c(C)c1 83193572 LUHIRMLTRAEMLA-MDZDMXLPSA-N 280.367 4.517 30 10 CJEE N#CCc1csc(-c2ccc(C3CCCC3)cc2)n1 84944914 IDMZJCJOHIUFIB-UHFFFAOYSA-N 268.385 4.534 30 10 CJEE CC1(C)CC(=O)C=C(C[C@H]2CCCc3ccccc32)C1 87322443 HTQMGOYOHFTLRY-MRXNPFEDSA-N 268.400 4.812 30 10 CJEE Cc1cc(C)cc(C[C@]2(C#N)CCCc3ccccc32)c1 87930160 FQNKPRCBLACIOS-FQEVSTJZSA-N 275.395 4.644 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2c(F)cccc2Cl)C1 91881266 DXGLXEKAQPEZBX-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE CCCCN(c1ccccc1)c1cccc(F)c1C#N 93406636 HAMXYUCCUIXNPY-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE SCC1(CN2CCC[C@H]3CCCC[C@@H]32)CCCCC1 94579260 DVPLPYZLBVMBKA-CVEARBPZSA-N 281.509 4.521 30 10 CJEE CN(Cc1ccccc1F)CC1(CS)CCCCCC1 94580576 PHUHTUKMDVDVNE-UHFFFAOYSA-N 295.467 4.528 30 10 CJEE CCC(CC)(CS)COc1ccccc1SC 94585198 ZVKSUTCXMFTARN-UHFFFAOYSA-N 270.463 4.524 30 10 CJEE CC[C@H](CS)Cn1c2ccccc2c2ccccc21 94586248 IEDXVBXTQKZGSS-ZDUSSCGKSA-N 269.413 4.751 30 10 CJEE N#Cc1c(Cl)cccc1Sc1cccc(F)c1 94623098 BWBLBEBRRXOIOH-UHFFFAOYSA-N 263.724 4.502 30 10 CJEE C=C(CC)C[C@H](NCCC)c1cccc(Cl)c1 97208448 LMLMLGJNULEAPO-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2c(C)cccc2C)cc1C 103030571 KPWHFGYLLUNAMR-KHPPLWFESA-N 279.383 4.729 30 10 CJEE CCCCCCCCCOc1ccc(C#N)cc1[N+](=O)[O-] 106590272 KDOMJOOCDRBMHC-UHFFFAOYSA-N 290.363 4.596 30 10 CJEE CCCCCCCCCCCC[C@@H](N)c1ncccn1 107683683 HQBKIXTZYKPHRR-MRXNPFEDSA-N 277.456 4.787 30 10 CJEE CCCCCCCCC[C@@H](N)CCOc1ccccc1 109716010 BFKFFKJXUQIZQV-QGZVFWFLSA-N 277.452 4.924 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(F)cc1Cl 110254039 DCVOEGPJEUAMKF-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCn1nc(C)c([C@@H](CC)NCC)c1C 110267836 UURHFJZEDBHRLG-QGZVFWFLSA-N 293.499 4.921 30 10 CJEE CCCCCCC[C@@H](CNCC)Cc1ccccc1OC 112634908 DEHYABIPMQVRQP-QGZVFWFLSA-N 291.479 4.824 30 10 CJEE CCCCCCCCCO[C@@]1(CN)CCC[C@H](C)C1 115588709 GDVADXQGJWSBPR-IRXDYDNUSA-N 269.473 4.661 30 10 CJEE CC(C)(C#N)c1ccc(N[C@@H]2CSc3ccccc32)cc1 123373933 CDBUMKNWLKBPHQ-MRXNPFEDSA-N 294.423 4.747 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1cccc(C#N)c1 124777212 GLTZCYWPXYKTCW-GOSISDBHSA-N 273.420 4.906 30 10 CJEE CC[C@H](C)C[C@H](CC)Nc1cc(C#N)ccc1Cl 125712012 NKCQJTDRUSVWAY-AAEUAGOBSA-N 264.800 4.838 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccccc1Cl 125937189 VZTVPVFIVFHATO-INIZCTEOSA-N 282.859 4.985 30 10 CJEE CCCCCCCCCCOC1CCC(=O)CC1 129586792 HMDCLNOXFOAANY-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCC[C@@H](O)COC(C)(C)C 135555896 FLVQLTMKWAJUBS-OAHLLOKOSA-N 258.446 4.693 30 10 CJEE C=C1/C(=N\OC(=O)Nc2ccc(C)cc2)C[C@H]2C[C@H]1C2(C)C 135777960 DYPOGWKRZPIPFG-DQSWUDLWSA-N 298.386 4.522 30 10 CJEE CCCCCCCCCC[C@H](COC(C)(C)C)NC 143416624 XTVNDTBYQLBMPI-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(F)cc1Cl 158914987 KWZPJHLUJSNSML-INIZCTEOSA-N 283.818 4.602 30 10 CJEE N#Cc1ccc2c(c1)nc(-c1sccc1Cl)n2C1CC1 159132442 KYQSLSTYNVKDLR-UHFFFAOYSA-N 299.786 4.625 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)CC2CCCCCC2)cc1 162029840 KYDJGWBWXBHTHE-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE C=CC[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 162621824 YZQVUZUPVPNZPY-YGRLFVJLSA-N 272.219 4.999 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(OC)CCC[C@H](C)C1 166290387 GJNQSTNUQWQQKN-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)CCO[C@@H]1C1CC1 166364783 MUYWUCDOYFJCEJ-IEBWSBKVSA-N 295.511 4.920 30 10 CJEE CC(C)c1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 177504997 XIAYYWHNIINUIA-CQSZACIVSA-N 296.389 4.672 30 10 CJEE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(CC#N)cc1 217966869 IEKLSLLCBAUYGZ-QGTPRVQTSA-N 270.420 4.625 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)CC(CC)CC)C1 222796121 UWTUGYFYPZIJBA-SQNIBIBYSA-N 278.484 4.853 30 10 CJEE CCCCCCCCOc1nc(N)c(Cl)cc1Cl 226625186 ZJLNFTIARZBKOA-UHFFFAOYSA-N 291.222 4.710 30 10 CJEE N#Cc1cccc(Sc2ccc3ccccc3c2)c1 227638471 LOHUKLWEVKQQMN-UHFFFAOYSA-N 261.349 4.863 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1OCC[C@@H]1C 229149902 MSFWTYPJIUGYTJ-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](O)C1[C@@H]2CCCC[C@@H]12 229174056 LWDNPQVQLSBCIS-OAGGEKHMSA-N 252.442 4.924 30 10 CJEE C#CCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229821460 ZYHFCWQUJCJPGM-SECBINFHSA-N 290.621 4.711 30 10 CJEE CSc1cccc(Oc2cc(F)ccc2C)c1C#N 230442864 QILGVUGBDNJMNK-UHFFFAOYSA-N 273.332 4.520 30 10 CJEE CC(C)[C@@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)C1 231003919 DJUGRIPABLGKRH-CJNGLKHVSA-N 276.811 4.860 30 10 CJEE CCCCCCC[C@H](NCC)c1ncccc1Cl 232932153 QDPGITXKBSNMPT-AWEZNQCLSA-N 268.832 4.746 30 10 CJEE CCCCCCC[C@](C)(O)c1cccc(F)c1F 232954294 UZKBFDBFGSBUCT-HNNXBMFYSA-N 256.336 4.533 30 10 CJEE C=CCCCCC[C@@H](NCCC)c1ccsc1 233164480 LZTPHTCCJKSLCM-OAHLLOKOSA-N 251.439 4.925 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(N(C)C)c1 233609469 OXLOOMXZBZIVNT-GOSISDBHSA-N 274.452 4.540 30 10 CJEE Cc1ccc(Nc2ccc(C)cc2C#N)c(Cl)c1 235859483 WNYRVLNDHRDXDJ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CC[C@@H]1CCC[C@@H](OC[C@H](CS)c2ccccc2)C1 251841002 QTWOBXNODKUVRA-DJIMGWMZSA-N 278.461 4.685 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1C[C@@H]2C[C@@H]2C1 252909286 ZQHPJIIGWGYKRM-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE COc1cccc(C=Nc2cccc3ccccc23)c1 257351593 GAPOPAIBLHEOQJ-UHFFFAOYSA-N 261.324 4.599 30 10 CJEE COc1c(C(C)C)ccc(C(C)C)c1[C@H](C)CC=O 258580515 YNHJKESCWBIYIF-CYBMUJFWSA-N 262.393 4.635 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@H](SC)C1 300678868 UMYRXRRFOQNUDY-XHSDSOJGSA-N 271.514 4.999 30 10 CJEE CC1(C)OB(C2=CC[C@@H](C3CCCC3)CC2)OC1(C)C 307636093 TWMGTFRXDPKKOI-CQSZACIVSA-N 276.229 4.535 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccccc1Cl 310530585 ZCVPXNPFQKYAEI-GFCCVEGCSA-N 251.801 4.593 30 10 CJEE CC[C@@H]1CCC[C@H]([C@@]2(C#N)CCc3ccccc32)C1 311371539 IYBFMZQJZKKYHT-HFTRVMKXSA-N 253.389 4.611 30 10 CJEE CCCCCCC[C@@]1(C)CC[C@@](C)(CNCCC)O1 312037353 UIKAKGUYQCFPNR-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE C=CCCCCCCN[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 312068113 LZMCNJDDZWOQNW-JZXOWHBKSA-N 263.469 4.927 30 10 CJEE CCCNC[C@H]1CCC(C)(C)C[C@H]1CC#CC(C)(C)C 312218456 YRJLWRGHKKUDBF-IAGOWNOFSA-N 277.496 4.868 30 10 CJEE N#CCc1cccc(N[C@H]2CCc3cc(Cl)ccc32)c1 313428990 PDEOQKJDVLDKIY-KRWDZBQOSA-N 282.774 4.505 30 10 CJEE CCCC1CCC(C=O)([C@@H]2CC(C)(C)OC2(C)C)CC1 317083242 CYNIDZZBCPKWCI-SWKXRBFHSA-N 280.452 4.756 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)(C)C)CCCC[C@H]1C 318783400 SWVAVZCXKJDMLY-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE Cc1sccc1[C@@H](O)C1(C#N)CCC(C(C)(C)C)CC1 380967439 SIRGEPUKMRLTKD-GNHJJJEISA-N 291.460 4.836 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1csc(C)c1 381127892 GKTUYWKUOOVERT-HNNXBMFYSA-N 263.450 4.537 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1CCCC1(F)F 381950660 SCQFUDZCJBBKFO-ZIAGYGMSSA-N 261.400 4.890 30 10 CJEE CC[C@@](O)(c1ccsc1)C1(C#N)CCC(C(C)C)CC1 382058086 AECCFZHOCDYYSJ-BDVYOWHSSA-N 291.460 4.702 30 10 CJEE C=CC(C)(C)CN[C@H](Cc1cccs1)c1cccs1 384875883 SBCJHBLDFQMJFP-CQSZACIVSA-N 291.485 4.895 30 10 CJEE FC(F)c1cccc(N=C2N[C@@H]3CCCC[C@@H]3CS2)c1 386259739 VBNMVUSCNVLBFE-DGCLKSJQSA-N 296.386 4.507 30 10 CJEE C#C[C@H](N[C@H](C)c1sc2ccccc2c1C)C(C)C 387602517 KZJQRQWRKXAQQG-HIFRSBDPSA-N 271.429 4.518 30 10 CJEE N#CCc1ccc(C(F)F)c2sc(Cl)cc12 396186570 GOBHPQUUOOIUAL-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE Cc1c(Cl)cccc1NC[C@H](C#N)C1CCCCC1 397137347 JFVXAMAJWAAOAS-AWEZNQCLSA-N 276.811 4.780 30 10 CJEE C#CCCCCC[C@@H](NCC)c1ccc(Cl)cc1 686678979 VIDDJWZIIPYDPA-MRXNPFEDSA-N 263.812 4.574 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H]1CCCCC1(C)C 686695740 OZHYRSZIARDYRJ-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE C=C1CCCN(c2ccc([C@@H](C)NCCC)cc2Cl)C1 689056191 GTMCMGFFLAVSLW-CQSZACIVSA-N 292.854 4.557 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccccc1 692214661 KOCCVSLVHQEWQU-QXAKKESOSA-N 271.448 4.732 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1c(N)ccc(Cl)c1F 692250515 GJMZBSQANDREJI-GWCFXTLKSA-N 282.790 4.608 30 10 CJEE C=CCCCCC[C@]1(CNC(C)(C)C)CCOC1(C)C 693256386 ZARODNTVLPRXNI-GOSISDBHSA-N 281.484 4.696 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](C)[C@H]1CCCNC1 697447133 DBNVKVXCDRARRX-SQNIBIBYSA-N 283.500 4.514 30 10 CJEE C=CCCC(C)(C)CN[C@@H](CC)c1cccs1 703990414 WSSSWTOYDVGNAJ-ZDUSSCGKSA-N 251.439 4.781 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(F)c(F)c1 703995601 JCQUFTLSYUUXTG-LBPRGKRZSA-N 267.363 4.608 30 10 CJEE CC(C)C1CCC(C=O)([C@H]2CCCC[C@H]2C)CC1 704934145 QOAINUCTLNRPIP-GYXIZQIFSA-N 250.426 4.844 30 10 CJEE CC1(C)C[C@H](S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)CO1 705494228 KEEXXGPVQUEYAP-LJISPDSOSA-N 295.492 4.642 30 10 CJEE CCC[C@@H](C)[C@H](C#N)c1ccc(C(F)(F)F)cc1 708028418 BCSXRNUCWUZLNZ-MFKMUULPSA-N 255.283 4.749 30 10 CJEE CCCCCCCCC[C@@H]1C(=O)CCN1[C@@H](C)CC 712046995 SWXIRFLLPMPXEE-JKSUJKDBSA-N 267.457 4.569 30 10 CJEE C=CCCCCCNc1ccc(Br)cc1OC 712288813 DIZTZSCPKJASNX-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE Cc1cscc1N=C1NC2(CCCCCCC2)CS1 713276832 SKQKYNXRNAVYCN-UHFFFAOYSA-N 294.489 4.864 30 10 CJEE C#CCCCCC[C@H](NCCC)C1C[C@@H]2CC[C@H](C1)S2 716088934 WLQOBMFQLXCTMY-FBVQUNGASA-N 293.520 4.613 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CC12CC2)NCC 723183156 QDKORVFYPMDQDU-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE N#CCCc1csc(-c2cc(Cl)ccc2Cl)n1 723896280 ZDKLLQSPTZBTOU-UHFFFAOYSA-N 283.183 4.573 30 10 CJEE CCCCCCCCC[C@H](NC)C1C[C@H](C)O[C@@H](C)C1 724275168 HPDTZXUFCFXCLO-BQFCYCMXSA-N 283.500 4.919 30 10 CJEE C=C1CCC(CN[C@H](c2ccc(C)cc2)C2CC2)CC1 724451037 FSPOAZPKMFWPAT-LJQANCHMSA-N 269.432 4.782 30 10 CJEE C=C1CCC(C[C@@H](N)CSc2cccc(C)c2)CC1 724544646 MEIRGZZQPJXRRK-MRXNPFEDSA-N 275.461 4.551 30 10 CJEE C=C(C)C[C@H](C)C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 767697425 OFOOMXKOEYYTBN-UONOGXRCSA-N 299.370 4.548 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@](C)(C#N)c1ccccc1 822147812 OMUHTNDSNFGMAT-AWEZNQCLSA-N 269.310 4.837 30 10 CJEE C(=Nc1ccc(Nc2ccccc2)cc1)c1cccnc1 1084290539 QAHXLOLQZFLQCP-UHFFFAOYSA-N 273.339 4.576 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 1125050993 WLPGAAVUJQPFJA-DYVFJYSZSA-N 291.410 4.631 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(CCC)s1)c1ccccc1 1130934687 SYZZGVSVMQFALM-OAHLLOKOSA-N 286.396 4.785 30 10 CJEE C=CCCC[C@@H](NC(=O)CCCC1CC1)c1ccccc1 1133171534 HFXKSAWNJJAGKG-GOSISDBHSA-N 285.431 4.781 30 10 CJEE C#Cc1ccc(CNc2cccc(COC(C)(C)C)c2)cc1 1179694867 CVNVXRPUWQPBKY-UHFFFAOYSA-N 293.410 4.595 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CCCN(C)CC1 1258231634 SALWGCWQVIVHSM-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2n[nH]c(C(C)C)c2C)c1 1311297461 AQXPHLZXCCMDES-UHFFFAOYSA-N 298.390 4.519 30 10 CJEE C=CC1(CC(=O)Nc2ccc(Cl)cc2F)CCCCC1 1350138370 GGAQQTLYAAOEMY-UHFFFAOYSA-N 295.785 4.944 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1CCC(C)C 1356199210 YJFUINLAJYTSCG-UHFFFAOYSA-N 259.393 4.570 30 10 CJEE C#CCCCCC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 1358077629 FJFFWHBOWUSKNI-UHFFFAOYSA-N 297.442 4.778 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccccc1 1438921439 OFFHWAPIFLBEEZ-QZTJIDSGSA-N 297.442 4.781 30 10 CJEE C=C[C@H](CC)CC(=O)NCc1ccc(-c2ccccc2)s1 1461781688 YZVLEPFSHHWGAY-CQSZACIVSA-N 299.439 4.634 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCC[C@H]1CC 1461985248 DWGUWKLNAWBPQC-WOJBJXKFSA-N 296.458 4.763 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H](CC)c2ccc(C)c(F)c2)C1 1462002709 SQGQSOYCXAWFHI-ZVZYQTTQSA-N 275.411 4.920 30 10 CJEE C=CCC[C@@H](C)NCCCCc1ccc(Cl)s1 1462233950 JKUGVSNMEIPPHM-GFCCVEGCSA-N 271.857 4.669 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cccc2c1OCC2 1462435733 IIKPAHDXZGUAJB-CQSZACIVSA-N 259.393 4.558 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)[C@H]1CCCCO1 1462482165 AYMNOZIHSOUMSG-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCNc1nc(-c2ccccc2)nc2ccccc12 1472776806 ZIQBHQXMDXQWEF-UHFFFAOYSA-N 289.382 4.675 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)NC(CC(C)C)CC(C)C 1477803230 GPVJHDPMXMQEOH-QGZVFWFLSA-N 294.483 4.587 30 10 CJEE C=CCCCC(=O)N(CCCC)[C@@H]1CCC[C@@H](C)C1 1523758924 GCTQAJZNAFPKLF-HZPDHXFCSA-N 265.441 4.550 30 10 CJEE C=CCCC[C@H](C(=O)N1CCCC[C@H](C)C1)c1ccccc1 1537559212 CETIECDWPJNGNS-HKUYNNGSSA-N 299.458 4.775 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(CC)CCCC1 1537944236 KGVVIEWKOBOMFK-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCCCC[C@@H](C)NCC(F)(F)c1ccc(F)cc1 1560947563 BEFYMXSUCBEZTP-CYBMUJFWSA-N 285.353 4.642 30 10 CJEE CCCCCCCCCNC(=O)c1cccc2[nH]ccc12 1588288212 RINOOHBWPYKOJF-UHFFFAOYSA-N 286.419 4.648 30 10 CJEE Cc1ccccc1C#Cc1ccc(Cl)c(Cl)c1 1614730892 OIQVWRADFSWAQQ-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE Fc1cccc(C#Cc2cccc(Cl)c2Cl)c1F 1614826037 GZKHWFDTMAKKMZ-UHFFFAOYSA-N 283.104 4.671 30 10 CJEE C=C[C@@H](C(=O)N1CCCC[C@@H]1CCCCC)c1ccccc1 1630124843 ZCBFNGBBZNQEDJ-RBUKOAKNSA-N 299.458 4.918 30 10 CJEE C#CCCCCCCN1CCC[C@@H]1c1cccc(F)c1 1641547498 PBOMQDFUVAYUFJ-GOSISDBHSA-N 273.395 4.546 30 10 CJEE C=CCN(CCc1ccccc1)C[C@H](C)CC(C)(C)C 1641653345 NDTSFWKTBQJLCL-QGZVFWFLSA-N 273.464 4.789 30 10 CJEE C=CCCCCN(CCc1ccc(F)cc1)C1CCCC1 1644944503 SQHZSENVUFBSCP-UHFFFAOYSA-N 289.438 4.969 30 10 CJEE C=CCCCSc1nccn1-c1cc(C)ccc1C 1651681270 UTFSJLNNDADACG-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H]1CC2CCC1CC2 1652333437 RIHOPKTVUBKKQE-HTWSVDAQSA-N 287.422 4.640 30 10 CJEE C#CCCCCCCN(CCC)[C@H]1CCc2ccccc2C1 1653209481 HFQLORASKATOCI-NRFANRHFSA-N 297.486 4.840 30 10 CJEE C=CCCC[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 1654660539 RVLSKTVEZOHZOU-QKXCFHHRSA-N 284.230 4.993 30 10 CJEE C=CCC1(CNCc2cccc(CCC)c2)CCCC1 1656244665 XRSPXDDFIFTSON-UHFFFAOYSA-N 271.448 4.865 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1cccc(C(C)C)c1 1657806041 OOBYLSAHYZNLOW-UHFFFAOYSA-N 274.408 4.676 30 10 CJEE C=CCC[C@@H](CC)N[C@@H](C)c1ccccc1SC 1657874824 UAKCPJABJZNLHO-UONOGXRCSA-N 263.450 4.804 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCCc1ccccc1Cl 1659400577 CVOHQNVFTOXOTH-FUHWJXTLSA-N 291.866 4.997 30 10 CJEE C=CC(C)(C)CCCNC[C@H](C)c1ccc(F)cc1 1659963923 OLJSXTDNNMRDOH-AWEZNQCLSA-N 263.400 4.511 30 10 CJEE C=CCCCCCCNCc1ccc(SC)s1 1662427249 GLXLSKYWRSIXKX-UHFFFAOYSA-N 269.479 4.696 30 10 CJEE C=CCCCCCCCNC(=O)N[C@]1(C)CCCC[C@@H]1C 1683129994 CIPOWPPWYDQETP-FUHWJXTLSA-N 294.483 4.781 30 10 CJEE CCCCCCCCC(=O)c1cc(C(C)(F)F)on1 1878113278 RUAMGEHSQHQWOH-UHFFFAOYSA-N 273.323 4.720 30 10 CJEE CC[C@H]1CC[C@H](CC2(C#N)C[C@H](C)O[C@@H](C)C2)CC1 1878356860 JLHKLPDOSXOTAG-VGWMRTNUSA-N 263.425 4.690 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)C(C)(C)C(F)(F)F 1878583685 IXDFGLVICXEHTB-QMMMGPOBSA-N 290.716 4.601 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(C(F)F)n1 1880734935 CSIMKPOPESTVLT-GFCCVEGCSA-N 270.367 4.640 30 10 CJEE CC#CCCCCN(Cc1ccccc1)C1CCCC1 1883443137 NDJYEBTVSQULSU-UHFFFAOYSA-N 269.432 4.625 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)c1cccc(Cl)c1 1888701610 PUMBVDUXIRCWNK-KRWDZBQOSA-N 271.791 4.704 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@@H](C)C1CC1)NCCC 1888711106 FIIWWVQIMPAZPC-KDOFPFPSSA-N 257.421 4.504 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(C(C)C)cc1 1892441377 HDQCZJFTLXUGFS-UHFFFAOYSA-N 279.427 4.998 30 10 CJEE C=C[C@@H](C1CCC1)n1c(S)nc2ccc(Cl)c(C)c21 1892956714 IIALWAXHVNJAOP-ZDUSSCGKSA-N 292.835 4.814 30 10 CJEE C=C(Cl)C[C@@H](NC)c1cc(F)c(Cl)cc1Cl 1904340311 XTTPXSVBCTZXLQ-LLVKDONJSA-N 282.573 4.536 30 10 CJEE CCCCCCC[S@](=N)(=O)C1CCC(F)(F)CC1 1918041802 MBCPZDQCALYLEH-SFHVURJKSA-N 281.412 4.581 30 10 CJEE C=C([C@@H](NC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922968379 NQJOKZKVSBRSRU-CYBMUJFWSA-N 288.294 4.688 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2c(c1)[C@H](C)CO2 1925687446 BWAHVAUQMWREOF-RHSMWYFYSA-N 275.436 4.933 30 10 CJEE CCCCCC[C@H](C)OC[C@@H](CS)C1CCC1 1942148633 UZYYUUVFAHMYAO-ZFWWWQNUSA-N 258.471 4.708 30 10 CJEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(Br)cc2)C1 1949508555 VZSBWPVLRKRUGM-JSGCOSHPSA-N 292.220 4.883 30 10 CJEE C=CCC[C@H](C)[C@H](N)c1ccc(OCc2ccccc2)cc1 1958112608 LEUMTJXPAVQXTI-JXFKEZNVSA-N 295.426 4.868 30 10 CJEE Cc1cc(C#N)cc(C)c1OCC[C@@H]1CCC[C@@H](C)C1 1968638098 KDLPLTSHLPTLBR-CJNGLKHVSA-N 271.404 4.770 30 10 CJEE CCC1(C)CC(Nc2ccc(C#N)cc2C(F)(F)F)C1 1973588639 CBOVHFZBMSCCBL-UHFFFAOYSA-N 282.309 4.568 30 10 CJEE C=C(F)C[C@H](NCC)c1cccc(Cl)c1Cl 1985705438 NSYPGNZGBUTWNP-NSHDSACASA-N 262.155 4.517 30 10 CJEE Cc1cc(C(=O)C2=CCC(F)(F)CC2)sc1Cl 2000995490 YNQCKCILHQPXAQ-UHFFFAOYSA-N 276.735 4.638 30 10 CJEE CC[C@@](C#N)(Cc1c(Cl)cncc1Cl)C(C)C 2012412789 OGWJHZYMKHAKCV-ZDUSSCGKSA-N 271.191 4.507 30 10 CJEE CCCCCCCC[C@@](C)(O)C(C)(C)C(F)F 2017709956 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CC[C@@H]1CC[C@@](C#N)([C@@]2(O)CCCC23CCCCC3)C1 312997336 UFJDPLOKGIDDJP-KBAYOESNSA-N 275.436 4.572 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2ccnc(Cl)c2)CC1 316928074 XTXAGDUEGDXPCS-UHFFFAOYSA-N 293.838 4.699 30 10 CJEE CC(C)[C@@H](Nc1ccc(C#N)c2ccccc12)C1CC1 323858534 FIXXRTUUPHBXGE-GOSISDBHSA-N 264.372 4.558 30 10 CJEE C=CCS[C@@H]1CCCCCCCCCC[C@@H]1NC 382129551 IOZXFVHYVUPIDW-JKSUJKDBSA-N 269.498 4.777 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384431230 RQUAFKKMBBSDAR-POAQFYNOSA-N 296.458 4.760 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)c1ccccc1C(F)(F)F 385022440 OPBIIHXOXAVPCP-BXUZGUMPSA-N 267.294 4.677 30 10 CJEE C=CCOc1ccc(CNCC(CC)(CC)CC)cc1 391217974 XPKQQKCRZIPHEE-UHFFFAOYSA-N 275.436 4.557 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](C#N)Nc2cccc(Cl)c2)C1 394588152 YQDCPEKBSPGOAL-XJKCOSOUSA-N 276.811 4.860 30 10 CJEE N#CC[C@@H](Nc1ccc(C(F)F)cc1)c1ccccc1 395455089 VSHJXLRPPXXHOA-OAHLLOKOSA-N 272.298 4.691 30 10 CJEE CCCCCCCCCSC1=N[C@@H]2CCCC[C@H]2N1 395629706 OOBFIXYIBYZJKR-HUUCEWRRSA-N 282.497 4.741 30 10 CJEE C=C(C)CCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 405564702 HNOGQZNVWWQDLV-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1C[C@@H](C)O[C@@H]1C 686485990 IJSDTSKSKVKCOJ-VQHPVUNQSA-N 269.473 4.529 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cccc(C)c1 686681699 CVNSKDSSFZPGHN-GOSISDBHSA-N 257.421 4.619 30 10 CJEE CCCCCCCCCC[C@H](N)[C@]12CCC[C@H]1OCC2 687388769 OMTKEQXOEWKXIP-RCCFBDPRSA-N 281.484 4.804 30 10 CJEE CCC[C@](O)(C1CC1)C1(C#N)CC(C)(C)CC(C)(C)C1 688339684 WYOFMMKPRRAKKV-SFHVURJKSA-N 277.452 4.674 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1N1CCC[C@H]1C1CCCCC1 688809858 RVZDCXQLLZRZRG-BZSNNMDCSA-N 274.452 4.504 30 10 CJEE N#C[C@@]1(C[C@H]2CC3CCC2CC3)CCc2ccccc21 691751648 AGXAEBRTNVGSHX-XVDPQKCLSA-N 265.400 4.611 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCC[C@H]2C[C@H]21 691771274 AEKUCPGVUQGPQU-MLHJIOFPSA-N 280.500 4.785 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(Cl)c1 692227177 NCILANMXDSCBJQ-MLGOLLRUSA-N 274.795 4.758 30 10 CJEE C[C@H](CC1CCCCC1)N[C@H](C)c1cccc(C#N)c1 694661248 VXDBUNORUZDVGI-HUUCEWRRSA-N 270.420 4.568 30 10 CJEE CCCCCCCC[C@H](N)CC1(CSC)CC1 696040504 IAPXNVXTEGOWKA-AWEZNQCLSA-N 257.487 4.598 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(C(F)F)CC1 697597311 XTQYJFSYKPHDIF-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H]1CCSC1 708747521 XRUQMMASZAXXER-GJZGRUSLSA-N 258.471 4.631 30 10 CJEE CN(CCCCCCCCCS)C[C@]12CCC[C@H]1C2 710462893 VJMLNPFBHKDRRV-DLBZAZTESA-N 283.525 4.769 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1CC(C)(C)CC[C@@H]1C 713069999 YQQBYWUKUSPOCK-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H]2CCCC[C@@H]21 714285875 HOGPWUJRLBMARD-ISTRZQFTSA-N 288.822 4.982 30 10 CJEE CC#CCC[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714396081 FJCQTXRDLJNYBS-OKYOBFRVSA-N 275.480 4.765 30 10 CJEE C=CC[C@@H](C)[C@H](O)c1ccc(OCc2ccccc2)cc1 715029626 RVSWLOLKVIJRPH-BEFAXECRSA-N 282.383 4.511 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1CCC(CCC)CC1 715771065 RLWHXXSIHKDBSH-VXLLPVPCSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(C)c1Cl 715773346 YQNGWBGZAVMWMY-XJKSGUPXSA-N 265.828 4.901 30 10 CJEE C[C@@H](Oc1cc(Cl)ccc1C#N)C1CCCCC1 719752565 BIPGHKTXGOTIEE-LLVKDONJSA-N 263.768 4.559 30 10 CJEE CCCCCCC[C@H](NCCC)C1C[C@@H](C)O[C@H](C)C1 724266269 UXGSAPXQGJQAEX-NUJGCVRESA-N 283.500 4.919 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@]1(C#N)CCCC(C)(C)C1=O 822146404 IOWFDAMECXWVRT-CQSZACIVSA-N 289.341 4.644 30 10 CJEE C=C[C@@](C)(CC)C(=O)N(Cc1cccc(C)c1)CC(C)C 1124847621 RPCHQGQTCZAOPS-IBGZPJMESA-N 287.447 4.582 30 10 CJEE N#Cc1cnc(Nc2ccc(Cl)cc2Cl)c(Cl)c1 1176652624 HJOGYVQUSYQXBJ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C#Cc1ccc(CNC(C)(C)c2ccc3ccccc3c2)cc1 1179291235 LDJCTYDKZNZNNV-UHFFFAOYSA-N 299.417 4.846 30 10 CJEE C#CCCCCCCN1CCCCC[C@@H]1CC(C)C 1191113400 VNFDJNSQCFVEHZ-GOSISDBHSA-N 263.469 4.861 30 10 CJEE C=CCCCCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 1191212578 BCEHXFNRBGLVIQ-MOPGFXCFSA-N 271.448 4.919 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C 1196318705 ISWPMPGWGVBNQI-CQSZACIVSA-N 292.810 4.611 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ASHWBEVLONINPG-JKSUJKDBSA-N 269.498 4.764 30 10 CJEE C=C(C)CCCC[C@@H](N)c1csc2c1CCCC2 2259199278 QIVOTHCOLARJHZ-OAHLLOKOSA-N 263.450 4.763 30 10 CJEE O[C@H](C#CC1CCCCC1)c1cc2cscc2s1 2261016450 BTZIFZBUQSYNJZ-CYBMUJFWSA-N 276.426 4.580 30 10 CJEE CCN(CCCCCCCS)[C@H]1CCCC1(C)C 2263205523 JTKXVZVQGRYGIZ-HNNXBMFYSA-N 271.514 4.767 30 10 CJEE SCCCCCCCN1CCCC2(CCCC2)C1 2263209818 NEMFKZAXMJGMEN-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE C=C1CCC(C[C@H](C[C@@H]2CCCC23CC3)NC)CC1 2266580856 XLXGINQDNCNCMA-DLBZAZTESA-N 261.453 4.681 30 10 CJEE CCCC#CC[C@H](C[C@@H]1CCCC12CC2)NCCC 2266596006 QHGCYQUEMPWYSC-DLBZAZTESA-N 261.453 4.519 30 10 CJEE CC(C)(C)C#CC=CCC[C@H](N)c1ccccc1Cl 2268722704 GEYYOGYLZPEACN-INIZCTEOSA-N 275.823 4.726 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](N)CC=CC#CC(C)(C)C 2268746893 RYSSWKBLDCDGTE-IKGGRYGDSA-N 261.453 4.526 30 10 CJEE CC(C)(C)C#CC=CCc1ccc2c(c1)CCCC2 2268752680 NNAAOTMAPDKKQO-UHFFFAOYSA-N 252.401 4.714 30 10 CJEE CCCCCCCC[C@](C)(O)c1cc(CC)ccn1 2270034281 KMMJZGIQFSTLQB-KRWDZBQOSA-N 263.425 4.602 30 10 CJEE CC[C@@](C)(C=O)CCCCCCCCCCCCO 2273738364 VBDWKOPWLSJWOG-QGZVFWFLSA-N 270.457 4.885 30 10 CJEE CCCCCCCC[C@@H](CCC(C)C)OCC(=O)O 2275453812 QCIRJODKFOARLT-HNNXBMFYSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@@H](C=C1CCCCC1)OCCN 2276409925 SWEJYJORRNJDPW-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE CC[C@H](C[C@H](O)C#Cc1ccccc1Cl)C(C)(C)C 2277841676 QKVLOHKASXPSEE-HUUCEWRRSA-N 278.823 4.515 30 10 CJEE C=CCCCC(=O)[C@](C)(O)CCCCCCCCC 2278173885 OSPZZTXRQRNCEK-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H]1CO[C@H](C)C1 2278231983 AVNNTDDXVLHTAU-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H](CC)C[C@H](C)O 2278235896 NWKHWMOWAZZXEQ-YESZJQIVSA-N 271.489 4.655 30 10 CJEE CCCC[C@@H](CC)CSCCC[C@](C)(C#N)NCC 2278320420 DCJKXFJVNZGIRB-HZPDHXFCSA-N 284.513 4.608 30 10 CJEE N#Cc1ccc(SCC2=CCCC2)c2ccccc12 2278786598 PXOHHHPXRFGOLK-UHFFFAOYSA-N 265.381 4.914 30 10 CJEE CCCc1ccc([C@@H](N)CC=CC#CC(C)(C)C)cc1 2284092877 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C=CCCCCCC[C@@H](OCCN)[C@@]1(C)CC=CCC1 2293991586 LHFRWJVLVGRJDP-MSOLQXFVSA-N 279.468 4.603 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CCCC[C@H]1C(C)(C)C 2294089468 OFUPHMGWVMSOEL-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@]1(CN)CC[C@H](C)C1 2295587241 ASXLAEHLLAPNMJ-OKZBNKHCSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCN(CC)CC 2295675520 CCPYLVMFJHKYFB-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](C)SC 2299409884 FASLVIBWMBOQNO-GJZGRUSLSA-N 259.503 4.857 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1sc(C)c(C)c1C 2304039235 VGNAWDXPNGBKQX-AWEZNQCLSA-N 251.439 4.536 30 10 CJEE CCCCCCCCN(C)C[C@H]1CCC[C@@H]2C[C@H]12 2311205505 CHKHQHDPBLRNDZ-ZACQAIPSSA-N 251.458 4.715 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1CCC 2312410516 YZZBMCRANBHGQE-BRWVUGGUSA-N 251.458 4.927 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1c(F)ccc(C)c1Cl 2316747243 PDRPUZRWYNDTMO-OAHLLOKOSA-N 267.775 4.556 30 10 CJEE C=CC[C@@H](C)[C@@H](CC1CC(CC(C)(C)C)C1)NC 2321097800 FGPRXEULSXOONF-PRLABOORSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccsc1C(F)(F)F 2321108063 MEJMYJJLRSRMEC-JTQLQIEISA-N 277.355 4.630 30 10 CJEE CCCCCCCC(=O)Nc1cc(Cl)cc(Cl)n1 2328545275 XEJSBJPUXZMOGQ-UHFFFAOYSA-N 289.206 4.687 30 10 CJEE C=CCC[C@@H](NCCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329817361 IXDUPKGCNFCATA-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1[C@@H]2[C@H]1CCCC2(F)F 2330152244 PRRHZUPMTHEQKY-APIJFGDWSA-N 273.411 4.759 30 10 CJEE CCC(=NOCc1ccccc1Cl)c1ccc(C)cc1 2330246135 DSZPBAQGXDKSJX-UHFFFAOYSA-N 287.790 4.979 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 2334297462 CAAQXWPBZCAQSG-VSZNYVQBSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCCC=C1C[C@@H]2CC[C@H]1C[C@H]2N 2334419355 AVABSAJJYBIROQ-OKZBNKHCSA-N 261.453 4.977 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC[C@@]12CCCC[C@@H]1CC2 2334794692 JTKPNRYNRCOGSD-MLHJIOFPSA-N 261.453 4.681 30 10 CJEE C=CC[C@@H](C)SCc1cccc(CNC(C)(C)C)c1 2335103204 IKJVUYXFUIZWCU-CQSZACIVSA-N 277.477 4.773 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc(CC(C)C)cc1 2335103372 KXHYYQFYBBTTOE-RHSMWYFYSA-N 277.477 4.583 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@H](C)CC)cc1F 2335229934 SEXYUGHTKIARKV-OLZOCXBDSA-N 281.440 4.771 30 10 CJEE C=CCC(CC=C)[C@H](NCC)C1C[C@H]2CCC[C@@H]2C1 2338741918 RJXOUOJIGSYUTJ-NUJGCVRESA-N 261.453 4.559 30 10 CJEE O=C1CCCCC=C1CC12CC3CC(CC(C3)C1)C2 2339593032 ZMFYZQZXMXJNDQ-UHFFFAOYSA-N 258.405 4.662 30 10 CJEE CCCC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341113144 CCFILYCKWYLEPV-MRXNPFEDSA-N 298.257 4.708 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CC12CCCC2)NCC 2344336545 JVVUGHKNGCFLPV-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)C[C@@H]1C[C@H]1C1CCCCC1 2344359645 YVLLSZBWPGQVPR-XSLAGTTESA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@H]1C1CCCC1)NC 2344375951 FJUWSMIBODMHTR-OWSLCNJRSA-N 263.469 4.783 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)N(C[C@@](C)(CS)C(C)(C)C)C1 2352071740 JACXPWRKXZEPTL-INMHGKMJSA-N 285.541 4.725 30 10 CJEE CSc1cc(N[C@H]2CCCCC[C@H]2C)ccc1C#N 2353829717 DLAIFCFZZHPBCA-DOMZBBRYSA-N 274.433 4.661 30 10 CJEE 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71466159 PWDHBDYYNHVBLN-UHFFFAOYSA-N 281.186 4.928 30 10 CJEE CCCOc1ccccc1-c1cc(C#N)c(C(C)C)o1 77079201 NWBXIQNVMYTJSY-UHFFFAOYSA-N 269.344 4.730 30 10 CJEE CC(C)COc1cccc(-c2cc(C#N)c(C3CC3)o2)c1 77083546 SKLIVLODEWWTKE-UHFFFAOYSA-N 281.355 4.730 30 10 CJEE CCc1sc(-c2cc(C(C)C)ccc2OC)cc1C#N 77097532 MRKQARLXDWZPHD-UHFFFAOYSA-N 285.412 4.981 30 10 CJEE COc1ccc(C(=O)/C=C/c2ccccc2)cc1C(C)(C)C 83192964 ZCFZVGRODFUDFC-ZRDIBKRKSA-N 294.394 4.889 30 10 CJEE N#CCC1(CNc2c(Cl)cc(Cl)cc2Cl)CC1 88249570 PDNALGUERZKXAY-UHFFFAOYSA-N 289.593 4.753 30 10 CJEE C[C@H]1CCCCCN1CC1(CS)CCCCCC1 94577992 AOYOPDGBAXDPQO-HNNXBMFYSA-N 269.498 4.521 30 10 CJEE C=C(C)C[C@H](NCCC)C1CCC(C(F)(F)F)CC1 97283362 WTYSMZCAHSPPSL-RUXDESIVSA-N 277.374 4.690 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@@H](C)N 104152308 ZYXQORDUGYKYBP-CYBMUJFWSA-N 267.388 4.585 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cc(C)ccc2Cl)cc1 104731906 XYYBKROAXQGIDU-KTKRTIGZSA-N 285.774 4.765 30 10 CJEE C#C[C@@H](C)Cc1ccc(OCC(C)C)c(C(C)C)c1 107594097 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N#CC[C@@H](c1cccc(Cl)c1Br)C1CC1 260347315 OWQRCDLCFDNBRZ-SECBINFHSA-N 284.584 4.510 30 10 CJEE C=CCCCCC[C@@H]1C[C@@H](C)CC[C@H]1CNCC 300257675 PJPGOEFUBYRARM-BBWFWOEESA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@@H](N)Cc1csc(C)c1 310293252 OENLSQIKUHOHAF-OAHLLOKOSA-N 253.455 4.677 30 10 CJEE C=CCCCCCCN[C@@H]1C[C@H](C)c2ccccc21 311448826 RMYJZAZAVJUMQF-MAUKXSAKSA-N 257.421 4.961 30 10 CJEE C=CCCCCCCn1ccc2c1CC(C)(C)C[C@@H]2O 312401747 HOIRNZATYXQLEK-KRWDZBQOSA-N 275.436 4.630 30 10 CJEE C[C@H](Cn1ccc2cc(C#N)ccc21)C1CCCCC1 313514265 KSRXGROSTNMXEC-CQSZACIVSA-N 266.388 4.729 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(Cl)cc2F)C1 316623335 BHYVNJDHCFSZTI-BLLLJJGKSA-N 282.786 4.807 30 10 CJEE CCCCCCCCC[C@@H](CNCCC)OCC 316658951 FIRUHQFIBITZFB-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCN1CCCCC[C@H]1C[C@@H](C)N 380148646 ROFXVBQBXHGMKY-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@@H](NCCC)C(C)(C)OC(C)C 383973019 FVVUYFZKYVLCHS-MRXNPFEDSA-N 271.489 4.919 30 10 CJEE CCCN(Cc1ccccc1)CC(CC)(CC)CS 384416333 PQYDMQAANAEVLC-UHFFFAOYSA-N 279.493 4.635 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@@H]1CCOc2ccccc21 384830131 GRQJMPODUSTCJX-VKJFTORMSA-N 269.388 4.663 30 10 CJEE C=CC[C@@H](CCSc1ccccc1)CNCC(C)C 386946667 IBTRGMVNGPZNQO-INIZCTEOSA-N 277.477 4.607 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)CC2CCCCCC2)C1 394641437 VBUAGMYLJHTFQG-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE N#CCc1cc2cc(C(F)F)sc2cc1Cl 396192930 RUSWHHDGLXRKCV-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@@](C)(CC)C1 399313850 UQHMOFOXEQTQGY-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CN(CCC(C)(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 399807064 DQYTUMMNOQBQQU-BZUAXINKSA-N 278.484 4.709 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1cc(C(C)(C)C)ccc1OC 680988858 JPQQZRFZNIYSSB-CYBMUJFWSA-N 289.419 4.534 30 10 CJEE N#Cc1cc(F)ccc1Nc1cccc(C2CCC2)c1 690295895 SIEZAHMMXVXVOA-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE CC[C@H](C)c1ccccc1Oc1ncc(C#N)cc1C 690365083 IHSBOYLPBJPIMY-LBPRGKRZSA-N 266.344 4.568 30 10 CJEE C[C@H]1CCC[C@H]1N(C)CCCCCCCCCS 690968264 JHJDWRSGHQONCH-JKSUJKDBSA-N 271.514 4.767 30 10 CJEE CCC(F)(F)C(C)(C)CC1(C#N)Cc2ccccc2C1 691064169 WEMNPVHVYWGLPM-UHFFFAOYSA-N 277.358 4.757 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCCCC[C@H]2C)CC1 691135692 UMEKLWFFYMHLIS-AQEOSJORSA-N 277.452 4.818 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(C(F)F)CC1 697603062 KCXGMJFCKCIJSL-ZDUSSCGKSA-N 259.384 4.536 30 10 CJEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 698358555 KVLGOXXWBSMAOT-OAHLLOKOSA-N 296.455 4.885 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCC[C@H]1c1ccccc1 701896330 QYLIUPMDPXUSOA-ROUUACIJSA-N 271.448 4.905 30 10 CJEE C=CCCC[C@@H](NCCC)c1ccc2ccncc2c1 702704079 JGSYYUIXXOLOSO-GOSISDBHSA-N 268.404 4.632 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1C(F)(F)F 705574778 VVPMKHAPSUYWQL-PWSUYJOCSA-N 289.316 4.850 30 10 CJEE C=CC[C@H](C)Cc1cccc(Cl)c1Br 715807735 RIZNLXHNHOVTRK-VIFPVBQESA-N 273.601 4.857 30 10 CJEE CCCCCCCCNc1cnccc1C(F)(F)F 717830928 NNQDKXOBOCTRLG-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H](N)C1CCCCC1 718826632 ZKFBNMCBJIQLCR-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(Cl)c(F)c2)CC1 724446143 CDYXWYBKBPCBAB-LBPRGKRZSA-N 281.802 4.876 30 10 CJEE C=C1CCC(CNc2c(F)cccc2Cl)CC1 724549569 GSAARKKHXFDFNK-UHFFFAOYSA-N 253.748 4.637 30 10 CJEE C=C1CCC(CC(=O)C2(OCC)CCCCCC2)CC1 724591698 AWKFZGPOZJXATB-UHFFFAOYSA-N 278.436 4.822 30 10 CJEE C=CCCC[C@H](C)OC(=O)c1coc(C2CCCCC2)n1 786424443 KVWAGBRXIPBKKN-ZDUSSCGKSA-N 291.391 4.624 30 10 CJEE C=CCC[C@@H](C(=O)N1CCC(C(C)C)CC1)c1ccccc1 1146595968 MFSHWBNBKXPNIL-LJQANCHMSA-N 299.458 4.631 30 10 CJEE CCCCCCCCN1CCC[C@@H]1c1cccnc1 1201804851 UWMKJSSTMQVLCM-QGZVFWFLSA-N 260.425 4.579 30 10 CJEE C=CC1(CC(=O)NC2(C3CCCCC3)CC2)CCCCC1 1289639882 HPWMQFZJLXRRBX-UHFFFAOYSA-N 289.463 4.742 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCCc2ccccc2C1 1308509608 CYGPBBHLAPGEQT-GOSISDBHSA-N 271.448 4.516 30 10 CJEE Cc1ccc(-c2ccc(C)c(NC[C@H](C)CCC#N)c2)o1 1308729919 AWTWLYCRXMHDJY-CYBMUJFWSA-N 282.387 4.915 30 10 CJEE C=CC[C@H]1N(Cc2cccc3cccnc23)CCCC1(C)C 1460029496 MQWYSRWNPZBFRS-GOSISDBHSA-N 294.442 4.802 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2Cc1c(Cl)ccc2cccnc12 1473662356 INYRSCAJHCUGLW-GASCZTMLSA-N 298.817 4.571 30 10 CJEE C=CCn1ncc2ccc(NCc3cc(C)sc3C)cc21 1474282642 GHQKBTPLXRKCIX-UHFFFAOYSA-N 297.427 4.513 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@]1(C)CCC[C@H]1C 1518875725 SLXNTHCCPMJICD-RDTXWAMCSA-N 271.404 4.570 30 10 CJEE C=CC1(CC(=O)OC[C@@H]2CC=CC[C@@H]2C)CCCCC1 1521350764 PTKOCXNACNNEBF-HOTGVXAUSA-N 276.420 4.659 30 10 CJEE C=C1CCC(C(=O)Oc2ccc3cc(C)ccc3c2)CC1 1538115363 QPYPMGVNEIZTGL-UHFFFAOYSA-N 280.367 4.800 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC[C@H]1CC 1539613314 XZDVGXVHTBWTEO-WBVHZDCISA-N 285.431 4.960 30 10 CJEE C=CC(C)(C)C(=O)Nc1nc(C2CCCCCC2)cs1 1544328433 ZSKQLFODTOXEJJ-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C=CCC1(CNC(=O)c2ccc(C3CCC3)cc2)CCCC1 1544642981 UGGGHZUTYHUEFL-UHFFFAOYSA-N 297.442 4.820 30 10 CJEE C#CCCCCCCN(CC)c1ccccc1Cl 1642870845 GKECVPVZTRTKAD-UHFFFAOYSA-N 263.812 4.750 30 10 CJEE C#CCCCCCCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 1644649553 GVOULCRCXQHGLS-WMZOPIPTSA-N 287.422 4.587 30 10 CJEE C=CCC[C@@H](CC)NCC1CCc2ccccc2CC1 1652874872 QAKNPKIPTJHMKP-LJQANCHMSA-N 271.448 4.516 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1c(C)oc2ccccc12 1658533204 IFVSWIAXBYQVGW-MAUKXSAKSA-N 283.415 4.966 30 10 CJEE C=CCC1(NCc2c(C)cc(Cl)cc2C)CCCC1 1660280461 JJPTVXMSKKEVQR-UHFFFAOYSA-N 277.839 4.935 30 10 CJEE C=CCC1(NCc2nccc3ccccc23)CCCCC1 1662457037 KBTHDDCLRMSNBV-UHFFFAOYSA-N 280.415 4.603 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCc1ccc(F)cc1 1665594798 JBLVRLXLANGORS-HNNXBMFYSA-N 277.427 4.729 30 10 CJEE Cc1cc(N[C@@]2(C)CCCC(C)(C)C2)ccc1C#N 1877816239 YLEQKNAWWJYKCC-KRWDZBQOSA-N 256.393 4.638 30 10 CJEE CC#CCCCC[C@]1(CNC2CC2)CC[C@@H](CC)C1 1885237231 OAETZNUWARFQHR-AEFFLSMTSA-N 261.453 4.519 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCC)C(C)(C)C1CCCCC1 1887452216 JTSWRDNLSOQDKX-NVXWUHKLSA-N 263.469 4.621 30 10 CJEE CCCCN(c1cccc(Cl)c1C#N)C1CCCC1 1888749858 DBAGSBNTOIORCQ-UHFFFAOYSA-N 276.811 4.761 30 10 CJEE CCCC(=CB1OC(C)(C)C(C)(C)O1)C1CCCC1 1911607230 JGLJYVGRWHYJTD-UHFFFAOYSA-N 264.218 4.535 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@H]1N=C1NC2(CCCCC2)CS1 1911798719 KXAKDMOSDOSCNJ-KBPBESRZSA-N 294.508 4.597 30 10 CJEE CC[C@H](C)c1ccccc1Oc1ncc(C#N)cc1Cl 1917254969 IEWOWDJFEBLRMR-NSHDSACASA-N 286.762 4.912 30 10 CJEE CCCCCCCCCCN[C@@H]1CC[C@H](COC)C1 1918631963 ZHKLTVBETFHESZ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCC(C)(C)C)NC 1920823066 XLAHNBBSHUKZNA-RDJZCZTQSA-N 271.489 4.512 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCC12CCC2 1921640211 HKYLXISKTHMIFF-IRXDYDNUSA-N 275.480 4.765 30 10 CJEE C=C([C@@H](NCCC)C(C)(C)C1CCC1)[Si](C)(C)C 1922869596 PEKPIHPYYPPRRU-OAHLLOKOSA-N 267.533 4.615 30 10 CJEE C=C([C@H](NCC)c1ccc2c(c1)CCCC2)[Si](C)(C)C 1922980278 XDISOQYTWRHINV-SFHVURJKSA-N 287.523 4.650 30 10 CJEE C=C(C)CC[C@@H](NC)c1scc(Cl)c1Cl 1932299601 MHKUCERRJRGHAF-SECBINFHSA-N 264.221 4.672 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1cccc(OCc2ccccc2)c1 1958088818 BXBYOEMSDNHOFE-UZLBHIALSA-N 295.426 4.868 30 10 CJEE C=CCCCCCNCc1ccsc1C(F)(F)F 1962790212 NFPGPMQMYQZKJY-UHFFFAOYSA-N 277.355 4.603 30 10 CJEE N#Cc1c(F)cccc1SC12CC3CC(CC(C3)C1)C2 1968460530 VLWJXMNXOBSDPV-UHFFFAOYSA-N 287.403 4.758 30 10 CJEE C=C(Br)CCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1978071879 XPKSNTRTTFGWJZ-MRVWCRGKSA-N 289.257 4.763 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc(C)c(Cl)s1 1978975036 LSNPWQUVNRBLQM-CABZTGNLSA-N 257.830 4.573 30 10 CJEE O=C(C=C1CCCC1)c1cccc(Cl)c1Br 1983532337 MJOVQIMTJUBVOL-UHFFFAOYSA-N 299.595 4.786 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1c(C)cccc1Br 1996469400 HYWZNABBWJBLST-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE C=CCC[C@H](C)[C@@](C)(N)c1ccc(Cl)c(Cl)c1 1996481251 LXZMBGCOYYBVBL-IINYFYTJSA-N 272.219 4.770 30 10 CJEE CCC(CC)(CC)COC[C@@H](CS)C(C)(C)C 2011170432 YTSZOQABSWBXJO-ZDUSSCGKSA-N 260.487 4.812 30 10 CJEE CC#CCCCC[C@H](NC)c1cc(Cl)sc1Cl 2019504551 AVSBXNWLLQRNJG-NSHDSACASA-N 290.259 4.899 30 10 CJEE C=C1CCC(C[C@](C)(N)c2csc(Cl)c2)CC1 2019853397 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276.323 4.547 30 10 CJEE N#C[C@]1(CCSC(F)(F)F)CCCCC12CCC2 2053364182 BLBZIMOESNVUMF-GFCCVEGCSA-N 277.355 4.884 30 10 CJEE C[C@@H](CC(F)F)C[C@@]1(C=O)CCCCC12CCC2 2053406146 CRRNLVKQGPWVIV-SWLSCSKDSA-N 258.352 4.597 30 10 CJEE CC[C@H](C[C@H]1CCC(C)=C(C)C1=O)CC(F)(F)F 2055531838 KDDVIYLZXWZIIE-VXGBXAGGSA-N 262.315 4.671 30 10 CJEE Fc1cc(C(F)F)cc(OC(F)(F)F)c1C(F)(F)F 2060361410 UGLKWZXVVDLXNZ-UHFFFAOYSA-N 298.104 4.681 30 10 CJEE C=C(F)C[C@]1(CNCCC)CCCC(C)(C)CC1 2062214234 LHXZAYBJBODNHL-INIZCTEOSA-N 255.421 4.836 30 10 CJEE O=C1CCCCC=C1c1ccc(SC(F)F)cc1 2063555402 FKMYYMUSSQNWGU-UHFFFAOYSA-N 268.328 4.528 30 10 CJEE CCCCCCCCC1(F)CC2(CCCNC2)C1 2066122258 KKJOSSXGGYGYFL-UHFFFAOYSA-N 255.421 4.609 30 10 CJEE C=C(C)CC[C@@H](NCC)[C@]1(C)CCCC(F)(F)C1 2068384202 MYAIVNJMUDSOBW-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](CCC(C(C)C)C(C)C)CNC1CC1 2068948012 ZAQPYQYEFRQOIJ-OAHLLOKOSA-N 251.458 4.639 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(SC(F)(F)F)cc1 2072419798 OUCMAUGQVAMRAY-UHFFFAOYSA-N 274.307 4.838 30 10 CJEE CCCCCCCCN(C)C[C@H](CS)C(C)(C)C 2075946568 UHLKSUIHNYHMHC-OAHLLOKOSA-N 273.530 4.871 30 10 CJEE C#CC[C@H](CNc1cc(Cl)c(F)c(Cl)c1)C1CC1 2076092376 ONSPNGPMJYZEPU-SNVBAGLBSA-N 286.177 4.594 30 10 CJEE C=C(C(=O)c1cccc(Cl)c1C)c1ccccc1 2076582101 HDNRZBKDZAINHQ-UHFFFAOYSA-N 256.732 4.545 30 10 CJEE CCCCCCCCN(C)C[C@H]1C[C@H]1C1CCC1 2079326800 CAHWWJIAMYSTTR-SJORKVTESA-N 251.458 4.715 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@H](CC)C(C)C 2083405392 JBEPNJNSFSVSOU-IRXDYDNUSA-N 251.458 4.621 30 10 CJEE CCCCCCC[C@H](NC)c1sccc1OCC 2085801932 HLSRLJUTTFHPPE-ZDUSSCGKSA-N 269.454 4.768 30 10 CJEE C=CCCCCCC[C@]1(N)CCCc2ccsc21 2085845947 BAMREDXYQHNFLO-INIZCTEOSA-N 263.450 4.765 30 10 CJEE C=CCCCCCCCCN(C)[C@H]1CCCSC1 2086232761 GGDJQLDFIMUHST-INIZCTEOSA-N 269.498 4.731 30 10 CJEE C=CCCCCCCCCC[S@](=N)(=O)C1CCC1 2086239450 IGJJSDHYPZNLOZ-SFHVURJKSA-N 271.470 4.892 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)[C@@H]1CCCSC1 2089923787 QVJIMCMJRZONHB-UONOGXRCSA-N 293.501 4.908 30 10 CJEE 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CJEE C[C@H]1CCC[C@@](C#N)(Cc2coc3ccccc23)C1 2232347168 CFMHDWYHWUQQPQ-GUYCJALGSA-N 253.345 4.695 30 10 CJEE CCCCCCC[C@](C)(O)c1ccnc2nc(C)sc12 2232705639 LLJSDSJVKCCJEM-INIZCTEOSA-N 292.448 4.568 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1c(C)cc(C)cc1C 2233793387 XUOHSONKNKBXQG-KRWDZBQOSA-N 271.448 4.702 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@@H](NCCC)C1 2234047193 UHNWFSSAZYWRQZ-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCCO[C@H](CNCCC)C(C)C 2234050335 FFRRDIXGEAKDKP-GOSISDBHSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1CC[C@@H](OCC)C1 2235518936 LJBYKIADFXJKJV-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CC[C@H](COC)C1 2235520304 YBOSEUATKGKKRU-KSZLIROESA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCO[C@@]12CCC[C@@H](C[C@@H](N)C1)C2 2235526618 MZVLLFZYNXVBAF-RCCFBDPRSA-N 279.468 4.580 30 10 CJEE C=CCCCCCCC[C@H](O)c1ncoc1C(C)(C)C 2235527618 XDPVKUHMUKDITB-AWEZNQCLSA-N 279.424 4.922 30 10 CJEE CC1(C)CC(C)(COc2c(C#N)oc3ccccc23)C1 2236606672 LTJPXXQPMYZEOJ-UHFFFAOYSA-N 269.344 4.510 30 10 CJEE Cc1sc([C@H](O)C2(C#N)CCC3(CC3)CC2)c(C)c1C 2236835638 WTEFFIPRGJMQEN-HNNXBMFYSA-N 289.444 4.571 30 10 CJEE CC(C)(C)C#CCN[C@@H]1CCCC[C@@H]1C1CCCCC1 2238714905 DMJDCACPOXUIDD-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC([C@@](C)(O)C#Cc2ccc(Cl)cc2)CC1 2239484379 QSWPEIBEJCDHAA-SFHVURJKSA-N 290.834 4.659 30 10 CJEE CCCCCCCCCCOc1ccncc1[C@H](C)O 2239484815 XYKMATJTGOZROC-HNNXBMFYSA-N 279.424 4.654 30 10 CJEE CCC[C@H]1CCC[C@@](O)(C#Cc2ccc(Cl)cc2)CC1 2239487904 VBKATFJDPCKQDC-YJBOKZPZSA-N 290.834 4.803 30 10 CJEE C=C[C@H](CCCCC)OC1(CCN[C@@H](C)CC)CCC1 2239489382 IJOFRGVQZLVDRD-DLBZAZTESA-N 281.484 4.839 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@]1(N)C#Cc1ccc(Cl)cc1 2239562124 HOZPITVYNQTHKJ-WMZOPIPTSA-N 289.850 4.625 30 10 CJEE CCCc1ccc(C#CC(=O)c2cc(C)sc2C)cc1 2239602483 PNGVLOYVOHHVTC-UHFFFAOYSA-N 282.408 4.552 30 10 CJEE CCCc1ccc(C#CC(=O)CC2CCCCC2)cc1 2239722269 OZVKMILIARWIAJ-UHFFFAOYSA-N 268.400 4.530 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H](C)CC1CC1 2240563243 SCGSXLVNXFTNOX-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@@](C)(O)CC12CCC(CC1)OC2 2240617063 ZJOMQRVNOIVEKF-LXPRWKDFSA-N 282.468 4.837 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(OC)c(C)c1 2240618915 YNYYTXBSZJPKSR-SFHVURJKSA-N 277.452 4.928 30 10 CJEE C=CCC[C@H](NCCC)c1ccc2cc(C)ccc2n1 2241066724 PLJVZYAOFODJNH-KRWDZBQOSA-N 268.404 4.550 30 10 CJEE C=C(C(=O)c1cc(Cl)c(Cl)cc1C)C(F)(F)F 2249731320 ANHPRIRJWKQSRW-UHFFFAOYSA-N 283.076 4.603 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCCC(F)(F)F)C1 2256441642 CBNSCYFNFFVPDP-IJLUTSLNSA-N 279.371 4.781 30 10 CJEE C=CCCCCCCCC[C@@H](O)C1CC(SC)C1 2256746330 CTLTVYBOJBABHG-UYSNPLJNSA-N 270.482 4.796 30 10 CJEE C=CCCCCCCCS[C@H]1CCCCC[C@@H]1O 2259005469 YBZDUIONTQFZIX-HOTGVXAUSA-N 270.482 4.940 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1CC(F)(F)C12CCC2 2259179681 AFJQMXSCOCGRMN-LBPRGKRZSA-N 256.336 4.518 30 10 CJEE C=C(C)CCCC[C@@H](N)C1CCC(C(C)C)CC1 2259183987 PEXUCYWKTIDIBH-OFLPRAFFSA-N 251.458 4.913 30 10 CJEE CCCCCCCCCC(=O)c1nccn1C(F)F 2265239780 DARYJGUSXAKRMM-UHFFFAOYSA-N 272.339 4.602 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC(C)(C)CCC1=O 2268753228 UNZDHANDKQDABF-OAHLLOKOSA-N 260.421 4.768 30 10 CJEE C=C(C)CCCC[C@]1(N)CCCCC[C@H]1C(F)(F)F 2271778115 SJDWABIMGYDZCJ-ZIAGYGMSSA-N 277.374 4.963 30 10 CJEE C[C@](C=O)(C[C@@]12CCCC[C@H]1CC2)c1ccccc1 2273434576 WPJYRKJNQRQRAU-KSZLIROESA-N 256.389 4.504 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CC1(C)CCCC1 2274132659 ZWYYPOUAWTUOIE-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE CN(CCCCCCCS)C[C@H]1CCCC(F)(F)C1 2277499416 DEFSHCMYWVLVRY-AWEZNQCLSA-N 293.467 4.624 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)C1=CCCC1 2278177692 WQGYIVUFSXJNAE-KRWDZBQOSA-N 266.425 4.558 30 10 CJEE CCCCCCC[C@@H](NC)[C@H](O)c1csc(C2CC2)c1 2283065037 YQTZVWAHLJZWGC-NVXWUHKLSA-N 295.492 4.607 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@](N)(C#N)[C@H]1CC 2287096601 MVBIDWAAKTUXIG-GVDBMIGSSA-N 294.508 4.656 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H](O)[C@@H](CC)CCC 2287680838 IOJFGAPFQIQAOY-BZSNNMDCSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCCC(=O)CNCC1CCCC1 2288116377 MJFSUFZCWAJGNN-UHFFFAOYSA-N 281.484 4.866 30 10 CJEE O=C(C#CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1 2289755557 HTSPPULVZQNOIL-ZWKOTPCHSA-N 272.432 4.746 30 10 CJEE O=C(C#CC1CCCCC1)[C@H]1CCCC[C@H]1C(F)(F)F 2289757132 ROJYZGRPXKPVDT-UONOGXRCSA-N 286.337 4.508 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@H](CC)CC(F)(F)F 2289782891 DTEQGJBVPFLMEW-CABCVRRESA-N 289.385 4.527 30 10 CJEE CC(C)(C)c1cccc([C@H](O)CC#CC2CCCC2)c1 2289845709 PAYLFGCMKWBOCN-GOSISDBHSA-N 270.416 4.601 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)[C@@H]1CC[C@@H](CC)C1 2289903569 CTCRJYGJICASOU-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C)c(OC)c1 2290120344 LIMVVJSMNFSCFT-MRXNPFEDSA-N 278.440 4.539 30 10 CJEE Cc1ccc(N[C@H]2CC(C)(C)CCC2(C)C)cc1C#N 2290258974 LTTKRFGCJDEXKF-INIZCTEOSA-N 270.420 4.884 30 10 CJEE C=CCCCCCC[C@](CC)(OCCC(=O)O)C1CC1 2291286878 UHBIEJLXNYIAFT-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](CCCC[C@H]1C[C@H]1C)OCCN 2292744992 ATSPOWZIAYWSSN-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=C(CC)C[C@H](OCCCN)c1csc2ccccc12 2293049749 KTBQNNWLZLHCIX-INIZCTEOSA-N 289.444 4.664 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)C1(C)CC(C)(C)C1 2293891129 WECZZTRSXGYAAB-INIZCTEOSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](CCC)(OCCN)C(C)(C)C 2294029188 FWWGUZFFJXQLSI-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCCC[C@H](OCCCN)[C@@H]1CCCC[C@H]1C 2294048186 OIMVCVCNPOQDFX-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CC[C@H]2C[C@H]2C1 2294452478 JYBJWCSKLYCUHZ-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE N[C@H](C#Cc1ccccc1Cl)c1cccc2ccsc12 2295215534 YCJDNTIFLWIJFV-MRXNPFEDSA-N 297.810 4.606 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CCCC(F)F 2295676219 ISMNGYYYZSHRNB-ZBFHGGJFSA-N 293.442 4.641 30 10 CJEE CCCC[C@H](CC)CSCCCC[C@@](C)(C#N)NCC 2295709927 DPAXJHHBEHMARR-IRXDYDNUSA-N 298.540 4.998 30 10 CJEE CCC[C@@H](OCCCCCS)c1ccccc1 2302033680 JFQZJBXRSXKRBN-OAHLLOKOSA-N 252.423 4.645 30 10 CJEE CC[C@H](CS)COCCC1CCCCCCC1 2302997273 DGFRKEJWXIZKEG-AWEZNQCLSA-N 258.471 4.710 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1F 2312117702 GEHIAEYRNAXCHJ-BZUAXINKSA-N 255.421 4.629 30 10 CJEE C=CCCCC[C@H](C[C@H]1CCC1(F)F)NCCC 2313734281 WVQYSUSPWHZCIW-ZIAGYGMSSA-N 259.384 4.536 30 10 CJEE CS[C@H]1C[C@H](CC2(C=O)CCC(C(C)C)CC2)C1 2314260732 JYSNIYNQWZLOLF-OIBGERBOSA-N 268.466 4.550 30 10 CJEE C=CCC(C)(C)[C@@H](CCCCC(C)(F)F)NCC 2321099601 TYCPBDCFERHNIN-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)C12CC(CC(C)C)(C1)C2 2321596464 YOQHOIDBOFAKPN-NUWOQIAWSA-N 250.426 4.556 30 10 CJEE CCC(=NOCc1ccccc1)c1ccc2c(c1)CCCC2 2330251611 QNMFTYFCYOJPPC-UHFFFAOYSA-N 293.410 4.896 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@H]1CCC[C@H]1C(F)F 2334490106 ULUWIXQDIJOLMB-AYDFFVQHSA-N 273.411 4.638 30 10 CJEE C=CCC(CC=C)N[C@H](CC)C1CCC(F)(F)CC1 2335096303 LRPLDAQIHKLQGK-OAHLLOKOSA-N 271.395 4.701 30 10 CJEE C=CCC(CC=C)S[C@@H]1C[C@H](NC)CC2(CCC2)C1 2335099316 VGRKRKBZSDIQMG-GOEBONIOSA-N 279.493 4.551 30 10 CJEE SCC1(CO[C@H]2C[C@H]3CC[C@H](C3)C2)CCCCCC1 2336157670 ZEYSUUSRACJRGK-MUJYYYPQSA-N 282.493 4.852 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC[C@@]1(C)CCCCC1(F)F 2337146294 MQVCJKZULGYQDW-RBSFLKMASA-N 271.395 4.536 30 10 CJEE C=CCC(CC=C)[C@@H](OCCCN)c1cc(Cl)cs1 2338692978 IMJPLFJJEDTXPA-OAHLLOKOSA-N 299.867 4.576 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H]1C[C@H]2CCC[C@H]1CC2 2338787596 OPKKSDDOIYNKRL-QXDIGNSFSA-N 261.453 4.537 30 10 CJEE C=CC[C@H](CNCCC)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338994665 RHDMGEGYCCFDPO-XSLAGTTESA-N 263.469 4.785 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@]1(C)CCCCC1(F)F)NCCC 2341881048 SJBLBAMNKFWKOD-SOUVJXGZSA-N 271.395 4.536 30 10 CJEE CC1(C)C[C@](C#N)(C[C@H]2CC[C@@H]2C(C)(C)C)CCO1 2343242525 SQEOSFOZOQFJDU-JKIFEVAISA-N 263.425 4.548 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cccc(C2(C)CC2)c1 2344338605 ATPXSQFEGGOFOX-WMLDXEAASA-N 257.421 4.601 30 10 CJEE C=CCC(C)(C)[C@@H](Cc1cccc(C)c1)NCCC 2344339527 JSJFCOFVVUTNLW-QGZVFWFLSA-N 259.437 4.508 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]2C=C[C@H]1CCC2)NC 2344358372 UZMLGIMJFAQLMP-NCOADZHNSA-N 261.453 4.559 30 10 CJEE N#C[C@]1(C2CC3(CC(F)C3)C2)CCCCC12CCC2 2344735319 BDAXOPTZZLKVSZ-FKFDDHQTSA-N 261.384 4.769 30 10 CJEE CC(C)(C)[C@](C)(CS)CN1CCCC12CCCCC2 2352177281 WBXNVTJEABJXIZ-INIZCTEOSA-N 283.525 4.767 30 10 CJEE CSc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1C#N 2353828141 USRNUVQRZRNWDF-YWPYICTPSA-N 274.433 4.517 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H](C)C1(C)CCCCC1 2353843887 ZKZOLPBKPOPOFW-JKSUJKDBSA-N 285.541 4.869 30 10 CJEE CCCCCCCCCN(C)C[C@H]1CC[C@@H]2[C@H]1C2(F)F 2357435932 CSZHMDWQTQYEAC-OAGGEKHMSA-N 287.438 4.960 30 10 CJEE CCCCCCCCC[C@@H](OCCC(=O)O)[C@@H]1C[C@H]1C 2359929802 PBZOAEIWMKXKDT-BZUAXINKSA-N 284.440 4.643 30 10 CJEE C=CC[C@H](C)SCC[C@H]1CCCC[C@@]1(C#N)NCCC 2360334133 QFNGASMOZJOOOX-BBWFWOEESA-N 294.508 4.526 30 10 CJEE [N-]=[N+]=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 32105926 UYAKHJKQYRWUAZ-UHFFFAOYSA-N 273.299 4.752 30 10 CJEE CCCCN(CCCC)[C@H]1C[C@H](CC)CC[C@@H]1C#N 37146849 AIGDDMOTACVGRT-ZACQAIPSSA-N 264.457 4.607 30 10 CJEE Cc1ccc(C#N)cc1-c1cccc(C(F)(F)F)c1 49848652 PRZTVVUSUAMZPZ-UHFFFAOYSA-N 261.246 4.553 30 10 CJEE N#CC[C@H](Sc1ccc(F)cc1F)c1ccccc1 55022665 FWWJSXWUTVPOPN-AWEZNQCLSA-N 275.323 4.712 30 10 CJEE CCCCCCCC(=O)c1c(F)cc(F)cc1F 59211577 TUGRRMJQJIMRLO-UHFFFAOYSA-N 258.283 4.647 30 10 CJEE CCCCCCCCOCC(=O)c1cc2ccccc2o1 59526257 URMFVDQUIDVKCA-UHFFFAOYSA-N 288.387 4.993 30 10 CJEE Cc1cccc(CSc2ccc(C#N)c(Cl)c2)c1 61855683 RXXRWZLZMQIZFR-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1c1cc(Cl)ccc1Cl 62625229 ABHUMPJMDKRBHG-ONGXEEELSA-N 254.160 4.791 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccn(C3CCCC3)n2)C1 87972851 CEOFAAJLCQUFDB-YJBOKZPZSA-N 285.435 4.651 30 10 CJEE Clc1cccc(C#Cc2ccc(Br)cc2)c1 90549248 KSTPZKDCBWOTOZ-UHFFFAOYSA-N 291.575 4.502 30 10 CJEE CC(C)(C)c1cccc(OC[C@H](CS)C(C)(C)C)c1 94584366 IXXNBTSJDNNHMR-CQSZACIVSA-N 280.477 4.955 30 10 CJEE C[C@H]1CCCCCN1CCCCCCCCCS 97799145 FLHKJHHBDVLUDU-INIZCTEOSA-N 271.514 4.911 30 10 CJEE CCCCCOc1ccc(/C(CCCCC)=N\O)c(O)c1 100174354 RFZMWJXRBRXJOW-VLGSPTGOSA-N 293.407 4.720 30 10 CJEE C=C[C@]1(C)CC[C@]2(C)c3ccc(O)c(C)c3CC[C@H]2C1 106896917 IWKVPNDFCCPGEV-KYNGSXCRSA-N 270.416 4.897 30 10 CJEE biogenic C[C@H]1Cc2ccccc2N(c2ccc(C#N)cc2Cl)C1 110259457 VJEXLBQYAQFAHR-LBPRGKRZSA-N 282.774 4.542 30 10 CJEE CCCCCCCCOC(=O)c1ccc2c(c1)CCCN2 110389289 NXLWPGOEECMWSL-UHFFFAOYSA-N 289.419 4.562 30 10 CJEE CCCCCCCOc1ccc(CN)cc1C(F)(F)F 112993357 FZZKRTYUTKBIHS-UHFFFAOYSA-N 289.341 4.513 30 10 CJEE CCCCCCCCC[C@]1(O)CCCN(CCC)CC1 115654736 CCQJMOISKODEGM-SFHVURJKSA-N 283.500 4.754 30 10 CJEE CCCCCCCCCCn1c(CNC(C)C)cnc1C 115674090 YBWUSCFSNQXTGX-UHFFFAOYSA-N 293.499 4.830 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(C)c(C)cc1N 115854693 SKKXQFZJQCSIDT-UHFFFAOYSA-N 290.451 4.965 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CN)c1ccccc1C 115862852 BAPIMUKDFIFHPY-OALUTQOASA-N 291.479 4.539 30 10 CJEE CCCCCCC[C@@H](Cc1cccc2ccccc12)NN 122283939 DVKPGWTWUMBUES-SFHVURJKSA-N 284.447 4.575 30 10 CJEE CCCCCCCCCCNc1ccnc(OC)c1 122522163 QURNVTCJHXFURE-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCC[C@@H](O)Cc1cc(F)ccc1Cl 124660628 YFGDKXGFRBPZNQ-CQSZACIVSA-N 272.791 4.743 30 10 CJEE CCCCCCC[C@H](NN)c1cc2cccc(Cl)c2o1 125079311 WQMQWIWJHCNVQU-AWEZNQCLSA-N 294.826 4.951 30 10 CJEE CCC1CCC(C#N)([C@](O)(CC)c2ccccc2F)CC1 128825106 ZQMJJFXIDUQQGD-UYJHFMRCSA-N 289.394 4.533 30 10 CJEE CCCCCCCCOc1c(F)cc(N)c2cccnc12 129161462 HFVSITVROWFNLY-UHFFFAOYSA-N 290.382 4.695 30 10 CJEE CC(C)(C)C1CCC([C@H](C#N)Nc2ccccc2)CC1 130045765 FXTDNSRGCYGDKF-DQPZFDDXSA-N 270.420 4.843 30 10 CJEE Cc1ccc(Sc2ccc(C#N)c(C)c2)c(C)c1 133528486 ZWQHHJAMDUWDNQ-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE C=C(C)C[C@@H]1C[C@H](CCC)CC[C@@H]1CNC(C)C 156141501 TXCANJMSSVSDTD-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE CCC1CCC(C#N)(Cc2c(F)cccc2F)CC1 157678402 PMBPORJRTUQLRO-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE CCCCCCC[C@H](O)Cc1ccc(Cl)cc1F 162816945 PGXFIIMMBLEEOJ-AWEZNQCLSA-N 272.791 4.743 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1O 164273690 SDCVCUGOCVDABC-LZQZEXGQSA-N 290.447 4.973 30 10 CJEE CC1CCC(N(C)c2ccc(C(F)(F)F)c(C#N)c2)CC1 164431259 QKGXVRXMIONVDV-UHFFFAOYSA-N 296.336 4.592 30 10 CJEE CC[C@@H](Nc1c(C)cccc1C#N)C1CCCCC1 221049216 GVKMQAFDXUDZBG-MRXNPFEDSA-N 256.393 4.638 30 10 CJEE CCCN(CC1CC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222796840 AMURHKZLPVUDSI-FGTMMUONSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCC[C@H](N)Cc1cncs1 229220915 CNNXIYJOEJUZJB-HNNXBMFYSA-N 282.497 4.934 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H](C)N[C@@H]1CC 232202594 SEYLSSDBCXNCNE-GVDBMIGSSA-N 269.473 4.673 30 10 CJEE CC(C)CCCCNc1ccc(C#N)c2ccccc12 232547118 FXZJKOKPPIJWLA-UHFFFAOYSA-N 266.388 4.950 30 10 CJEE C=CCCCCCC(=O)C12CC3CC(CC(C3)C1)C2 232558925 XXERBPVRDMFXIQ-UHFFFAOYSA-N 260.421 4.908 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC[C@H]1NC 232949719 RAHVSUQEXBDCCC-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE Cc1ccc(COc2c(C)cc(C#N)cc2C)c(Cl)c1 235910779 RCNCIEDUMGFQAR-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE Cc1cc(C(=O)C2=CCCCCC2)c2ccccc2n1 235971748 KAKFIGOUVMXGMA-UHFFFAOYSA-N 265.356 4.616 30 10 CJEE Cc1cccc(N[C@@H]2CCc3cc(Cl)ccc32)c1C#N 236009899 RYPNIVDYGLHGPZ-QGZVFWFLSA-N 282.774 4.620 30 10 CJEE C=CCCCCCSc1c(N)cccc1Cl 236333477 AVLCGODVQUONAZ-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE C=CCCCCCn1cc(CO)c2ccc(Cl)cc21 236516432 DRQGGGNTKWVZPI-UHFFFAOYSA-N 277.795 4.533 30 10 CJEE CC#CCC[C@@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)(C)C 252827401 HYCHCQWYDTXHSU-KSZLIROESA-N 277.496 4.867 30 10 CJEE CSc1nc2cc(N=Cc3ccccc3)ccc2s1 254468497 ZSUHCHLUHXZFAM-UHFFFAOYSA-N 284.409 4.769 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 300010307 YUNLFIUHZDTCRB-OAGGEKHMSA-N 261.409 4.588 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1cc(C)c(C#N)c(C)c1C 312420917 KJVQOSCGKSSOQP-WBVHZDCISA-N 271.404 4.831 30 10 CJEE CC(C)CCCCCC1(C=O)Cc2ccccc2C1 316991935 MZRDWWWPUIYPGO-UHFFFAOYSA-N 258.405 4.577 30 10 CJEE CC(C)C[C@@H](C)C[C@]1(C=O)CCCc2ccccc21 317151536 COIWCIKBKKIESQ-QAPCUYQASA-N 258.405 4.532 30 10 CJEE CC(C)(C)C#CCNc1cc(C(F)(F)F)ccc1Cl 381864045 VMDSBJVXVSBWMP-UHFFFAOYSA-N 289.728 4.820 30 10 CJEE CCc1csc(SC[C@H](CS)c2ccccc2)n1 382922009 CMCJSXKYKBSILR-LBPRGKRZSA-N 295.498 4.511 30 10 CJEE N#CCCCCCSc1ccc(Br)cc1 385171422 BJYMGPLGLGVMFP-UHFFFAOYSA-N 284.222 4.625 30 10 CJEE C=C(C)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl 386945837 WOFVEVJGJMFCRG-SECBINFHSA-N 276.182 4.749 30 10 CJEE C=C([C@H](NCC)c1ccc2sccc2c1)C(F)(F)F 395294006 PMFUFPJXXPSBLG-ZDUSSCGKSA-N 285.334 4.670 30 10 CJEE CCCc1ccc(/C(C)=C\B2OC(C)(C)C(C)(C)O2)cc1 396621606 BPXNYQPAKWZCCI-YPKPFQOOSA-N 286.224 4.674 30 10 CJEE CC(C)[C@@H](C#N)CNc1cc(Cl)c(Cl)cc1Cl 397520820 VKWDIVOXQNSVAL-QMMMGPOBSA-N 291.609 4.854 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1csc2c1CCCC2 399864378 PAVQAWLEYAIAIK-INIZCTEOSA-N 289.488 4.717 30 10 CJEE Cc1ccc(C(C)C)c(OCC2(C#N)CCCC2)c1 405124009 KBAYKQJJDADXFI-UHFFFAOYSA-N 257.377 4.581 30 10 CJEE C[C@@](C#N)(Cc1cccc(Cl)c1F)c1ccccc1 405728039 WLNVMIIIHNNAIG-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 527348710 AMNNRCHCXIHRSB-RYGJVYDSSA-N 290.410 4.545 30 10 CJEE C=C(C)C[C@H](N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575245440 KDDFXJRDSSUGHK-NSHDSACASA-N 297.242 4.690 30 10 CJEE COc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 575381723 YMPAVWLENYIWTC-UHFFFAOYSA-N 294.141 4.670 30 10 CJEE C=CCOC(=O)Nc1ccc2c(c1)[nH]c1c(CC)cccc12 586480395 JTYNCISYQGPEFK-UHFFFAOYSA-N 294.354 4.618 30 10 CJEE C#CCCCCC[C@@H](CCC(C)(C)C)NCCC 686676241 BZXDULKGJUFGJA-INIZCTEOSA-N 251.458 4.765 30 10 CJEE C#CCCCCC[C@@]1(CNCC(C)C)C[C@H]2CC[C@H]1C2 686688093 DIXQYGOCXFYIMD-FHWLQOOXSA-N 275.480 4.622 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H]2CCCCC[C@H]2O)C1 688338187 ODMXKBQRVCMFLR-HUUCEWRRSA-N 277.452 4.674 30 10 CJEE Cc1ccsc1[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688341560 IGGVEXKIVFPUOE-CQSZACIVSA-N 291.460 4.836 30 10 CJEE CCSc1cccc(N(C)CCCC2CCC2)c1C#N 688488474 RLJWCTFBZRGKMA-UHFFFAOYSA-N 288.460 4.687 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)CC1(CS)CCCCC1 691140455 KFTMEARHKZCWON-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CCCCCCCC[C@@H](CC[C@@H]1CC1(F)F)NC 691643545 OXOBBVWITIPDCM-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C)c(C)c1 692265552 YVNNIAFFPVJMQR-ZWKOTPCHSA-N 257.421 4.528 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)cc(Cl)c1 692275724 MVPQGDPKZPBLGL-RDJZCZTQSA-N 277.839 4.873 30 10 CJEE CN(C[C@H](C#N)C1CCCC1)[C@@H]1CCCC(C)(C)CC1 697849676 MJNLANBJFNROHC-DLBZAZTESA-N 276.468 4.607 30 10 CJEE CCCc1ccccc1Oc1ccc(C#N)c(C)c1 699501021 QKENLKIQPXDDFF-UHFFFAOYSA-N 251.329 4.612 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C(C)(C)OC)cc1 700545428 HWVMIBDFCHQKKX-KRWDZBQOSA-N 277.452 4.928 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CCCC[C@H]1c1ccccc1 701896333 QYLIUPMDPXUSOA-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE CCCCCCC[C@@H](NN)c1csc(C(F)(F)F)c1 703186597 MMKNRWNUWKSFQM-LLVKDONJSA-N 294.386 4.632 30 10 CJEE CCCCCCCC[C@H](N)c1ccc(COC)cc1 703441815 SJHGFYGMNFNIQC-KRWDZBQOSA-N 263.425 4.583 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(Cl)cn1)NCC 703908994 ZJNYQKQMWPNZRV-HNNXBMFYSA-N 282.859 4.616 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2ccsc2C(F)(F)F)cc1 704318447 KSHKUNGFDVVOSV-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE CCSc1cccc(N(CC)[C@@H](C)C(C)C)c1C#N 706506513 GBEFZYYXSPOPKS-ZDUSSCGKSA-N 276.449 4.541 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@@H]21 707870937 QBFCPANWKLGQJJ-VVLHAWIVSA-N 251.458 4.904 30 10 CJEE N#Cc1cc(Cl)ccc1N1CCC(C2CCCC2)CC1 708859789 XSVNYMNWYAJRMH-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1CC12CCOCC2 709683802 WOADZULCERZANM-DLBZAZTESA-N 281.484 4.532 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CCCC[C@H]1C 710679473 POZXBPWDJJQZIB-IUODEOHRSA-N 257.849 4.714 30 10 CJEE CCCCCCCCCCC(=O)[C@]12CCC[C@H]1NCC2 711328270 DJZPMUQEBPHZKF-AEFFLSMTSA-N 279.468 4.619 30 10 CJEE C[C@H]1CCC(C)(C)C[C@H]1Nc1ccc(Cl)c(C#N)c1 713042682 JHWSNYJWGNCYCC-XHDPSFHLSA-N 276.811 4.838 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(C)c1Br 715720537 NUPVPHYTYZWXDF-IUODEOHRSA-N 296.252 4.620 30 10 CJEE CCC[C@@H]1CCS/C(=N/CCCCCCC(C)C)N1 716965542 DAEWEWKHEKEHCT-OAHLLOKOSA-N 284.513 4.844 30 10 CJEE CCCCCCC[C@H](CC1C[C@@H](C)O[C@H](C)C1)NC 724502794 BLQPSSLEBSSJGT-BFYDXBDKSA-N 269.473 4.529 30 10 CJEE C=C1CCC(C[C@@H](CS[C@H](C)CC)NCC)CC1 724550011 NEZYNXCGVLCWSC-ZBFHGGJFSA-N 269.498 4.633 30 10 CJEE C=C1CCC(C[C@@H](N)[C@H]2CCCc3ccccc32)CC1 724550601 UCDLYRCSJVPIRO-RBUKOAKNSA-N 269.432 4.570 30 10 CJEE C=C1CCC(C[C@@H](C[C@H]2C[C@H]3CC[C@H]2C3)NC)CC1 724581878 HSWNAISOXCDQSD-FJIDUMEYSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NC)c2cscc2Cl)CC1 724619331 SRYVFUOXCGMWQL-AWEZNQCLSA-N 269.841 4.799 30 10 CJEE C=CCCCC(=O)Oc1ccccc1SC(F)(F)F 748674603 VYERCOQZYPKXJC-UHFFFAOYSA-N 290.306 4.560 30 10 CJEE CCCCCCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C 791885512 QHUSLQYGDQPVNF-QWHCGFSZSA-N 293.373 4.536 30 10 CJEE C=CCCCCCCCCC[C@H](C=C)OC(C)=O 888085612 WJPXATJJMVNOMJ-INIZCTEOSA-N 252.398 4.801 30 10 CJEE in-vitro C=CCCCN(CC)C(=O)Nc1c(C)cccc1C(C)C 929193110 RRPDENKNNIEAPD-UHFFFAOYSA-N 288.435 4.938 30 10 CJEE COc1ccccc1C=Nc1ccc(Cl)c(Cl)c1 1084503333 MGUJWBWCGDEIMO-UHFFFAOYSA-N 280.154 4.753 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)[C@@H](CC)c1ccccc1 1124873443 LLVLFRCRNUYUFB-KRWDZBQOSA-N 287.447 4.979 30 10 CJEE C=CCC1(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)CCCC1 1126162872 JVUMZWSBOSRAFK-SJLPKXTDSA-N 297.442 4.528 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCCC1(C)C 1131106124 OTYJZURCXMKZME-IKGGRYGDSA-N 291.479 4.844 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(C(F)(F)F)c(C)c1 1178304874 QIAQXVNCWMTEJF-ZDUSSCGKSA-N 285.353 4.848 30 10 CJEE C=CCN(CCc1ccccc1Cl)CC1CCCCC1 1190985764 SBSWZNNVQATYMG-UHFFFAOYSA-N 291.866 4.951 30 10 CJEE C=CCC1(CN[C@@H]2CCC[C@@H](C3CC3)C2)CCCC1 1205788591 CZDWAFOQFDVKEJ-IAGOWNOFSA-N 261.453 4.681 30 10 CJEE C=CCCC(C)(C)CNC[C@H](C)c1ccc(C)cc1 1207082560 FFGMUBNWYJCTOW-INIZCTEOSA-N 259.437 4.681 30 10 CJEE C=CCC1(NC(=O)N[C@@H](CC)C2CCCC2)CCCCC1 1228277789 ZTYHHWGVSNHXHJ-INIZCTEOSA-N 292.467 4.533 30 10 CJEE C=CCC1(NC(=O)[C@H](CCC)CC(C)C)CCCCC1 1272726620 YUGLPDFWWZFNCV-MRXNPFEDSA-N 279.468 4.844 30 10 CJEE C=CCCCCCCCNC(=O)N(C)C[C@H]1CC=CCC1 1312826862 WHRFYNMCUFZWCS-KRWDZBQOSA-N 292.467 4.511 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(CC)cc1)c1ccccc1 1350651838 MMDUYRSGMJNVMI-MRXNPFEDSA-N 279.383 4.547 30 10 CJEE C=C(C)COc1cccc(NC(=O)CCCCC(C)C)c1 1455930964 UNWIBIAADUETSO-UHFFFAOYSA-N 289.419 4.796 30 10 CJEE C=CC1CCN([C@@H](C)c2c(C)cc(C)cc2C)CC1 1459481996 BATGCWDVLVUYQO-INIZCTEOSA-N 257.421 4.571 30 10 CJEE C=CC[C@H]1N(C(=O)CCCc2ccccc2)CCCC1(C)C 1459683998 VCUSOCVLAGCGFF-GOSISDBHSA-N 299.458 4.603 30 10 CJEE C=CCC1(CNC(=O)N[C@H](C)CCCCCC)CCCC1 1467704324 MMMNQUPXHFZBDP-MRXNPFEDSA-N 294.483 4.781 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCC[C@H](CC)C2)c1 1477187883 XIWVLWULBIQNHU-HOCLYGCPSA-N 286.419 4.810 30 10 CJEE C=CCCC1(CNC(=O)N[C@H](C)C[C@@H](C)CC)CCCC1 1478002976 OBLLRWNUDGQZIJ-JKSUJKDBSA-N 294.483 4.637 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc2c(c1)oc1ccccc12 1515236676 XIESEAHJBGJJMH-UHFFFAOYSA-N 279.339 4.737 30 10 CJEE C=CCC[C@H](C(=O)N(C)C[C@H]1CC=CCC1)c1ccccc1 1520334177 RCLPCSGNJODCCA-HKUYNNGSSA-N 297.442 4.551 30 10 CJEE C=CCC(C)(C)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1524299633 VSBOBBJLHTUIFE-KRWDZBQOSA-N 299.458 4.809 30 10 CJEE C=C[C@](C)(CC)C(=O)N(Cc1ccccc1)CC(C)(C)C 1530568977 ZIRKIRKLRCWEIF-LJQANCHMSA-N 287.447 4.664 30 10 CJEE C=CCN(Cc1ccc(CC)cc1)Cc1ccccc1F 1559495343 CELDFDHROOIEII-UHFFFAOYSA-N 283.390 4.576 30 10 CJEE C=CCCC1(CNCc2ccc3cc[nH]c3c2)CCCC1 1560532226 WNKKWHNRRSMWAT-UHFFFAOYSA-N 282.431 4.784 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 1561041917 KCPONCHJRARJEK-CXAGYDPISA-N 277.839 4.532 30 10 CJEE C=CCCC[C@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 1583436402 CRXKWVHSAFVJDZ-DLBZAZTESA-N 287.447 4.740 30 10 CJEE C=CC1(CC(=O)O[C@@H](CC)c2ccncc2)CCCCC1 1584670565 XXVUDKOMAUNGTR-INIZCTEOSA-N 287.403 4.603 30 10 CJEE C=CCCCCCN1CCC[C@H]1c1ccc(F)c(F)c1 1615536449 VUTGAPVMOCTUMN-KRWDZBQOSA-N 279.374 4.848 30 10 CJEE C=CCCN[C@H](c1ccc(CCCC)cc1)C(C)C 1616440817 CYPXEIQNLZODDW-SFHVURJKSA-N 259.437 4.892 30 10 CJEE C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCC[C@@H]1CCC 1636162941 IHVBNVBFYNOCDA-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE C#CCCCCCCN1C[C@H](c2ccc(F)cc2)C[C@H]1C 1644649552 GVOULCRCXQHGLS-SJLPKXTDSA-N 287.422 4.587 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(F)cc1)C1CCC1 1653699084 XABRKUBUPDLKKO-IBGZPJMESA-N 287.422 4.840 30 10 CJEE C=CC(C)(C)CCCNC1CCC(C(C)C)CC1 1657933881 PZCLLHFGEZESFV-UHFFFAOYSA-N 251.458 4.783 30 10 CJEE CC(C)(C)CN(CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 1658954970 DXDIICKZBAVJRZ-QUCCMNQESA-N 298.474 4.759 30 10 CJEE C=CCCCN(CC)C(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 1671927027 JFJRXHAMBUTZSO-IAGOWNOFSA-N 294.483 4.589 30 10 CJEE C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCC[C@H]1CCC 1680958829 ASPIEJVLJZRQKW-GVDBMIGSSA-N 294.483 4.637 30 10 CJEE CC#CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC 1879644102 MKFWQXHSMMHBPF-KZNAEPCWSA-N 263.469 4.622 30 10 CJEE CC#CCCCC[C@@H](NCCC)c1cccc(C)c1 1879646826 IQOAUAJMENTXBG-GOSISDBHSA-N 257.421 4.619 30 10 CJEE CCCCCCCCN(CC(F)(F)F)CC(F)(F)F 1883312037 AWONTTNMOYMHHE-UHFFFAOYSA-N 293.295 4.774 30 10 CJEE C=CCN(Cc1ccc(C(C)C)cc1)C1CCCC1 1883632746 NYNAOSYYPGDANG-UHFFFAOYSA-N 257.421 4.741 30 10 CJEE CC#CCCCC[C@@H](N)c1cccc(C(C)(C)C)c1 1885230484 XBYBPMWJXOKQHR-QGZVFWFLSA-N 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CCC[C@@]1(C)CSC(=NCC2(C)CCCCCCC2)N1 2172661377 HCCKEUDLBVEJIM-KRWDZBQOSA-N 296.524 4.988 30 10 CJEE CCCCCCC[C@@H](O)[C@]1(C#N)CCCCC12CCC2 2173627074 WKCUEYZZTKJIKL-SJLPKXTDSA-N 277.452 4.962 30 10 CJEE CCCc1nc(C[C@]2(C=O)CCCCC23CCC3)cs1 2173685343 OEYJTLOWNQRXRO-KRWDZBQOSA-N 291.460 4.568 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@](C)(F)CC[C@H]1NCC 2174207978 VQQSTEYOYPSLGF-ZACQAIPSSA-N 287.463 4.622 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@]1(O)CCC=C1C 2179169478 AIXZAUFNWYXWKF-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE CCO[C@]1(C(=O)C2=CCC(C)(C)CC2)CCC[C@@H](C)C1 2181665839 DEBCVEAQGWSGCG-RDTXWAMCSA-N 278.436 4.677 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCCC23CCC3)C1 2183240424 LFSGUYUPHCETSS-IKGGRYGDSA-N 274.452 4.504 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)CCC1(C)C 2188509893 JFRVHIGAZVVUSX-GOSISDBHSA-N 283.500 4.779 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C1(CC2CCC2)CC1 2189943262 NUYBZXRFAPMHPR-QGZVFWFLSA-N 275.480 4.765 30 10 CJEE CCC1CCC(C[C@@]2(C#N)C[C@@H](OC)C23CCC3)CC1 2193065570 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30 10 CJEE C=CCCCCCCCN[C@@H](C)c1ncccc1Cl 2227277358 XNQPJLQBSVAMGZ-AWEZNQCLSA-N 280.843 4.912 30 10 CJEE C=CCCCCCCCN(C)C[C@@]12C=C[C@@H](CC1)C2 2227282828 XFDZVHSZPOTGJP-ROUUACIJSA-N 261.453 4.801 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(F)(F)C(F)(F)F 2227285487 URIGSTWIBVHLJW-LLVKDONJSA-N 287.316 4.689 30 10 CJEE C=CCCCCCCCNCCCc1ccccc1 2227292347 ZSGPGIMPHYECJV-UHFFFAOYSA-N 259.437 4.735 30 10 CJEE C=CCCCCCCCCCN1CC[C@H]2C[C@@]2(F)C1 2230345001 OEWWTORTVKZIOP-DLBZAZTESA-N 267.432 4.727 30 10 CJEE Cc1cc(C#N)nc(SCCCCCCC2CC2)c1 2230886367 NULDVSLERMQYQI-UHFFFAOYSA-N 274.433 4.714 30 10 CJEE CCCCCCCCCOC[C@@H](O)C1CCCCC1 2230996511 WAGCMPNHHOPSHE-QGZVFWFLSA-N 270.457 4.695 30 10 CJEE C=CC[C@H](CNC1CCC1)C[C@H](CC)CC(F)(F)F 2231486531 KSIRGPIADUFADA-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1ccc(Cl)cc1Cl 2231494869 ZTYQVKQCFZMMND-INIZCTEOSA-N 298.257 4.870 30 10 CJEE CCCCCCCC[C@@H](C)Nc1cncnc1CC 2231928161 FPRIQBOSXRGUGT-CQSZACIVSA-N 263.429 4.590 30 10 CJEE 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288.193 4.587 30 10 CJEE CCc1cscc1Nc1cccc(SC)c1C#N 2319289673 WMAFDLDLZXBOMB-UHFFFAOYSA-N 274.414 4.648 30 10 CJEE CC1(C)CCCCCN1C[C@@](C)(CS)C(C)(C)C 2327080303 NKIMHIPVXMLXEF-INIZCTEOSA-N 271.514 4.623 30 10 CJEE OCCCCCCCC#Cc1cc2sccc2s1 2327862171 HPFXZDZCPNGMDX-UHFFFAOYSA-N 278.442 4.647 30 10 CJEE CSc1cc(NCc2cc(Cl)cs2)ccc1C#N 2328527641 KHYQNDGAWFLYST-UHFFFAOYSA-N 294.832 4.607 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@]12C[C@H](C)[C@@H]1C2 2333327797 HQSMVTWKOXDIQU-XLAORIBOSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@]12C[C@H](C)[C@@H]1C2 2333706724 VWQSOBRWUIJZBM-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)n1c(S)nc2cc(C)c(Cl)cc21 2335098120 GFYYVFXWZKUBKU-UHFFFAOYSA-N 292.835 4.980 30 10 CJEE C=CCC(CC=C)[C@H](C[C@H]1CCC12CCC2)NCC 2338744365 NHKWEJXHRKUHJE-SJORKVTESA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2338746840 KIRHVCNRDOODGH-WNRNVDISSA-N 262.437 4.722 30 10 CJEE C=C([C@@H](NCC)c1ccc(F)c(C)c1Cl)[Si](C)(C)C 2338777784 FVLXVKPZMRAWII-OAHLLOKOSA-N 299.893 4.872 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2339572470 NZRODUPYGCDOIX-IAQYHMDHSA-N 296.241 4.694 30 10 CJEE C#Cc1ccccc1CNc1ccc(Cl)c(C)c1Cl 2340151035 XZEBGEDHFKFNEL-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=C(C)C[C@H](NC)c1cccc(-c2ccccc2)c1 2341917838 NJHQEIJAVGBHHR-SFHVURJKSA-N 251.373 4.580 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(CCF)CC1)NCCC 2344342125 HIZFCRWVSNLRIX-HOTGVXAUSA-N 269.448 4.877 30 10 CJEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)cc1)NCC 2344342580 LAMJVGKLVPVUED-IRXDYDNUSA-N 279.855 4.853 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CCC(F)CC1)NCC 2344344425 SAVQYCCRAZPVIQ-GQGLESIBSA-N 269.448 4.875 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC(C1CC1)C1CC1)NCC 2344344544 SNBXNKTYGBPQFW-QZTJIDSGSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)C1=CCC(F)(F)CC1 2344347700 DHXHRKGJJTTYHB-CQSZACIVSA-N 271.395 4.703 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H](C)C(F)(F)F)NCCC 2344358222 UKPTZDZMEVQHKT-QWHCGFSZSA-N 279.390 4.936 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C[C@@H]1F)OCCCN 2360108501 NGOLAXPHCZEGBF-ULQDDVLXSA-N 287.463 4.609 30 10 CJEE N#Cc1cc(N[C@H](c2ccccc2)C2CC2)ccc1Cl 41075480 FZLGQLMRWNDVIE-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE N#CCc1ccc(C(F)(F)F)c(-c2cccc(F)c2)c1 47205211 YLXVPJTWANWLAI-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE CCCCCCCCCOc1ccc(CC#N)cc1 59089309 BQFRNFLVFWLGHS-UHFFFAOYSA-N 259.393 4.882 30 10 CJEE C[C@@H](c1cccc(Cl)c1)N(C)[C@@H](CC#N)c1ccccc1 62014255 WHVMWGBWZOTODD-KSSFIOAISA-N 298.817 4.988 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 68618520 RVLKRUIVZPFHEJ-MISXGVKJSA-N 296.336 4.814 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC(C)(C)C2)C1 70259023 LKNYRMGEXXNTHP-GVDBMIGSSA-N 290.495 4.853 30 10 CJEE C[C@@H]1CCC[C@@H](CCNc2ccc(Cl)cc2C#N)C1 71029742 LLZRHWZCVJGPSQ-OLZOCXBDSA-N 276.811 4.840 30 10 CJEE CCc1cccc2c(CS)cc(C(C)(C)C)nc12 82464789 DGYVJWQGBOLKQE-UHFFFAOYSA-N 259.418 4.525 30 10 CJEE Cc1ccc2c(c1)[nH]c(=S)n2-c1cc(Cl)ccc1C#N 86115093 SGMVMXCRYAYRGK-UHFFFAOYSA-N 299.786 4.522 30 10 CJEE COc1ccc(CSc2ccccc2Cl)cc1C#N 87833691 FZFLHSSYKLKINZ-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C(C)C)cc2)C1 91881596 RSRKUYVSOUKOCY-ATZDWAIDSA-N 285.431 4.954 30 10 CJEE C/C=C/c1ccccc1OC[C@@H](CS)C(C)(C)C 94583892 IYZYRWIQHVPNTD-GPAKFWEMSA-N 264.434 4.691 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(C)nc2ccccc12 97219891 LTZRMVVUDCMNNZ-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CC(C)[C@H]1CCN(CCCCCCCCCS)C1 97799578 HTIKIEXWDZCTGR-INIZCTEOSA-N 271.514 4.625 30 10 CJEE CCCCCCCCCCC[C@H](COC)NCCC 103931839 ICQLKUBGLIAPMC-QGZVFWFLSA-N 271.489 4.922 30 10 CJEE O=C(/C=C\Nc1cccc(Cl)c1Cl)c1ccccc1 104278648 XGKYUPCIFJPQSM-KTKRTIGZSA-N 292.165 4.802 30 10 CJEE C#CC[C@@H](CCC)c1c(C)cc(OCCC)cc1C 107647562 KDZIWVXSVYVQFB-INIZCTEOSA-N 258.405 4.999 30 10 CJEE CCC[C@@H](C)COc1c(/C(C)=N/O)ccc2ccccc12 110323358 FXGLDDNFYYVSHD-DVDIPCOMSA-N 285.387 4.853 30 10 CJEE CCCCCCC[C@@H](CO)Cc1cccc(Cl)c1 117328285 YHWRLPIYNODLAI-OAHLLOKOSA-N 268.828 4.852 30 10 CJEE CCCCCCCCC(=O)[C@](C)(CC)N1CCCCC1 118162117 GTCLTMJZMMTIHY-SFHVURJKSA-N 281.484 4.961 30 10 CJEE Cc1ccc(F)c(Nc2cccc(Cl)c2C#N)c1F 122227622 YUSOEAKFFWSHQI-UHFFFAOYSA-N 278.689 4.542 30 10 CJEE C[C@@H]1CC(Oc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 122418983 WIKHGZCEZQMSQQ-QWRGUYRKSA-N 297.320 4.781 30 10 CJEE CCCCCCCCCCCCn1ccc(=O)cc1 129436682 OHSCTQDFLFHBDH-UHFFFAOYSA-N 263.425 4.769 30 10 CJEE CCCCCCCCCCC[C@H](NC)c1cncnc1 133686892 OZYYPARQCQBALL-KRWDZBQOSA-N 277.456 4.658 30 10 CJEE N#Cc1ccc(CNc2cccc(Cl)c2Cl)s1 161091511 KGUSCVJSLKPBJM-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE CCCCCC(C)(C)CNCc1ccc(C#N)cc1C 165351037 GVMRNYMWARFTER-UHFFFAOYSA-N 272.436 4.563 30 10 CJEE CCCCCCCCNc1cc(C)cc([N+](=O)[O-])c1 166085679 UKMFNGCFGKMBNW-UHFFFAOYSA-N 264.369 4.676 30 10 CJEE CC(C)(C)c1ccc(Oc2nccc(C#N)c2Cl)cc1 232525100 GJORNAIBFRLSLL-UHFFFAOYSA-N 286.762 4.696 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](O)C1CCCCC1 232918055 IAGJLWDFOLNGNY-ROUUACIJSA-N 284.484 4.819 30 10 CJEE CCCCCCCCC[C@@H](CN)N(CC)C1CCCC1 232963271 ZOOQXNBVYQSPHG-SFHVURJKSA-N 282.516 4.719 30 10 CJEE CC[C@@H]1CCC[C@H](OCCCCC(C)(C)C#N)C1 233910303 ZERGZHNPZRWBQW-CABCVRRESA-N 251.414 4.692 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)cc1Cl 235269562 PJCCUGBHKGQPRJ-RISCZKNCSA-N 276.811 4.838 30 10 CJEE CC1=C[C@H](C)C[C@H]([C@@H](C#N)Nc2ccccc2Cl)C1 235365169 DLMNYCFDSQVILT-DETPVDSQSA-N 274.795 4.636 30 10 CJEE Cc1ccccc1COc1ccc2ccccc2c1C=NO 251183395 WLDMTLQZQRDOMR-UHFFFAOYSA-N 291.350 4.535 30 10 CJEE N#CC1(c2ccc(Cl)cc2Br)CCCCC1 260509206 JWNMWTQEQZBONB-UHFFFAOYSA-N 298.611 4.828 30 10 CJEE C=CCCCCC[C@H](NC)[C@@]1(OCC)CCC[C@H](C)C1 300278049 IFLJVQZUHOQKFJ-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc2c(s1)CCCCC2 302237967 BQTUIUAHWPCHOI-UHFFFAOYSA-N 274.429 4.639 30 10 CJEE CCCCCCCC[C@@H]1COC(C)(C)[C@H]1NCCC 311705531 TULSQXICLXKEID-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CC(C)c1ccc([C@]2(C)CC[C@](C)(CC#N)O2)cc1 312119867 UIDRRVUETDIRAP-SJORKVTESA-N 257.377 4.508 30 10 CJEE CC(C)C[C@H](C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 312169730 ZQKNWWHVOUTVQC-VUGNNNGISA-N 279.468 4.776 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 312784874 OPBHKVZBMXHHEZ-WFASDCNBSA-N 281.321 4.968 30 10 CJEE C=CCN(CCC)c1cccc(Cl)c1[C@H](C)NCCC 313702061 SKZRHXMPGXATGN-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(F)cc2)CC1 316938873 ZICWYQCLIIKZPQ-UHFFFAOYSA-N 262.368 4.544 30 10 CJEE CC(C)(C)C1CCC(C=O)(Cc2csc(Cl)n2)CC1 316944921 BLWBXOCLABVTLX-UHFFFAOYSA-N 299.867 4.761 30 10 CJEE N#CC1(Cc2ccc(Br)o2)CCCCCCC1 378935266 ZGIORKPKAYORSQ-UHFFFAOYSA-N 296.208 4.839 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2cc(C)cc(Cl)c2)CC1 395050579 ADAFKDSFJFCLMP-BLDCVEFLSA-N 291.822 4.792 30 10 CJEE N#C[C@H](CSCc1ccccc1)C1CCCCC1 397353135 ZGCHIAOUYWBYEK-MRXNPFEDSA-N 259.418 4.640 30 10 CJEE CC(C)(C)[C@H](C#N)CNc1cc(Cl)c(F)c(Cl)c1 397505052 DWOUGBWIPKXTGQ-MRVPVSSYSA-N 289.181 4.730 30 10 CJEE CCCCCCCCC[C@@H](CC(C1CC1)C1CC1)NN 400839664 CYGBAFNISXOWHS-KRWDZBQOSA-N 280.500 4.785 30 10 CJEE CCCCCCC[C@@H](N)[C@H](CC)CC(F)(F)F 402616305 HYRQSFOJXJADML-VXGBXAGGSA-N 253.352 4.653 30 10 CJEE C=CC(C)(C)CO[C@@H]1C[C@H](CCC)CC[C@H]1NCCC 403912817 PKVMIIQEQZWKTO-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE C=CCCc1ccccc1NC(=O)CCCc1ccccc1 410375957 QRIYKIABTMVBRG-UHFFFAOYSA-N 293.410 4.767 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2ccco2)cc1F 470527257 HAGAVTMJWJZPRT-GFCCVEGCSA-N 287.334 4.627 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C(F)F)nc1 658060997 RNVNHSNQJAEWBN-GUTXKFCHSA-N 294.389 4.805 30 10 CJEE C#CCCCCCNc1cc(Cl)c(F)c(Cl)c1 686673901 NVADFBXJZCMJBF-UHFFFAOYSA-N 274.166 4.738 30 10 CJEE C=CCC[C@@H](NCCC)C(CC)(CC)C(F)(F)F 690221810 OEQDTIZWEQOODD-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE N#Cc1ccc(Nc2cccc(C3CCC3)c2)c(F)c1 690288026 BIBURJRVODDJEV-UHFFFAOYSA-N 266.319 4.708 30 10 CJEE Cc1cc(Cl)c(Nc2ncc(C#N)cc2C)cc1Cl 690375635 WCPLHMZJIFABHH-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 690953649 VDHSLLTYZDIIPJ-CYBMUJFWSA-N 273.754 4.625 30 10 CJEE C=CCCCCCCNCC(C)(C)C(F)(F)CC 691082671 BATZBONHHWBNKQ-UHFFFAOYSA-N 261.400 4.784 30 10 CJEE Cc1cc(N(C)Cc2cc3cscc3s2)ccc1C#N 693984973 JGCZYXPTXYKVMD-UHFFFAOYSA-N 298.436 4.779 30 10 CJEE CC(C)(CC(F)(F)F)CC1(C=O)CCCCC1 694124694 ZSRMSNIGAVYJJO-UHFFFAOYSA-N 250.304 4.505 30 10 CJEE CCCCCCCCC[C@H](Cc1ccns1)NCC 694601795 NCEGJDLZRDMNSS-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CCC(CC)(CS)CN(C)C[C@@H]1CCCC2(CC2)C1 696168663 MDWNXMKSIGTYRD-OAHLLOKOSA-N 283.525 4.625 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)CCC(C)(C)C)C[C@@H](C1)C2 697269845 MINUQMPWIMCSSW-PMRDEQMMSA-N 263.469 4.926 30 10 CJEE CC1CCC(C#N)(CCCOC2CCCCC2)CC1 699946197 ITBUTHRTMZTPJZ-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)CCC2CC2)C1 701116154 YZHHYNQBZBKXRP-HPBDAGMYSA-N 276.468 4.605 30 10 CJEE Cc1ccc(COc2c(C)cc(Cl)cc2C)cc1C#N 701880593 KVTFZJPZKSSQJG-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE C=CCCC(C)(C)CNC1CC(c2ccc(C)cc2)C1 703995415 GBCWARLIURGRNS-UHFFFAOYSA-N 271.448 4.823 30 10 CJEE C=CCCC(C)(C)CNCC/C=C\c1ccccc1 704007965 IWNBMKQECTYEDN-LCYFTJDESA-N 257.421 4.672 30 10 CJEE C=CC[C@@H](C=C)OCC(CS)(CCC)CCC 706703497 ZVIXPAZEYHJACE-CQSZACIVSA-N 256.455 4.650 30 10 CJEE C=CCC(C)(C)COC[C@H](NCC)c1ccccc1Cl 709579985 IPFJKZRLQNJIEB-INIZCTEOSA-N 295.854 4.610 30 10 CJEE C=CCC[C@H](NCCC)c1cscc1C(F)F 717245951 YDRJKMZDXDKRIW-LBPRGKRZSA-N 259.365 4.693 30 10 CJEE CCCCCCCO[C@@H]1CCCCC(C)(C)[C@@H]1NC 719225183 VVTPDWMIERIKPA-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE CN(CC1(CS)CCCCCC1)C1(C)CCCCC1 720686776 ZPRXNZHHHZAKPB-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE C=C1CCC(C[C@@H](NCCC)c2ccc(Cl)cn2)CC1 724574471 CVGXHPRRQTVDBP-QGZVFWFLSA-N 292.854 4.912 30 10 CJEE C=C1CCC(C[C@H](Cc2ccc(Cl)cc2)C(=O)O)CC1 724575637 DSQNTBWFRSAQQC-OAHLLOKOSA-N 292.806 4.720 30 10 CJEE C[C@@H]1CC(CC2(C#N)CCCCCCC2)C[C@@H](C)O1 724881832 GOEFJYQYGCIDJA-HUUCEWRRSA-N 263.425 4.834 30 10 CJEE CCc1c(CC#N)cc2ccsc2c1C(F)(F)F 725303840 YMWRIQQBSQNJOI-UHFFFAOYSA-N 269.291 4.549 30 10 CJEE CSc1ccc(C#Cc2ccc(F)cc2Cl)cc1 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C=C[C@H](CCCCC)Oc1c(F)cccc1C(C)=O 1227341625 QBOQLXQAJQXWEJ-CYBMUJFWSA-N 264.340 4.542 30 10 CJEE C=C(CC)C(=O)Nc1cccc(Oc2ccccc2C)c1 1304228885 TVKNDPNYGIYNGM-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1cccc(C)c1 1435134636 PVAFXLPSMILIEE-QGZVFWFLSA-N 299.458 4.693 30 10 CJEE CCCCCCCCNC(=O)c1cc2cc(C)ccc2o1 1458012945 RSCFRGPXGFWVBL-UHFFFAOYSA-N 287.403 4.832 30 10 CJEE C=CCCCCCN1CCCc2c(F)c(F)cc(F)c21 1460229444 FNLYFUBYRPHKLA-UHFFFAOYSA-N 283.337 4.603 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)CSc2ccc(C)cc2)C1 1462112888 IIVBBKRWOGCSND-GVDBMIGSSA-N 289.488 4.810 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)CC1 1516448731 MXNHGJZWSAEFMT-SFHVURJKSA-N 299.458 4.945 30 10 CJEE C=CC[C@H](C(=O)NCC1CCC(CC)CC1)c1ccccc1 1517530304 PWXZMLKRKMWESL-TVPLGVNVSA-N 299.458 4.679 30 10 CJEE CCCCCCCCCCNC(=O)C=C1CCSCC1 1517666677 CUCGDHLZWQYFBY-UHFFFAOYSA-N 297.508 4.697 30 10 CJEE C=CC(C)(C)CC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 1519852342 BEMIMLGXXVZRDY-CABCVRRESA-N 279.468 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281.484 4.661 30 10 CJEE CCCCCCC[C@](C)(CCC1(F)CCC1)OCCN 2293737906 WBYIWVGKDRIMHN-MRXNPFEDSA-N 287.463 4.753 30 10 CJEE CCCCCCCCC[C@H](OCCCN)C1[C@H](C)[C@H]1C 2294134794 DQXIYYYJPZXHJM-ZACQAIPSSA-N 283.500 4.763 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1(C(C)C)CC1 2294462672 ZLTULXWHSFSNRN-KRWDZBQOSA-N 283.500 4.907 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@H]1CC)OCCCN 2294539941 ZCKKKAHWSHSJBZ-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE CCC[C@H]1CC[C@H]([C@H](O)C#Cc2ccccc2Cl)CC1 2295219609 OSSFFNHJMKJVSO-QGPMSJSTSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@@H](C)CC[C@@H]1CN 2295531918 PXZFFSJXOKLEEX-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(CC)CC(C)C 2295536792 RWRJHOVKZMZVLS-GOSISDBHSA-N 284.532 4.822 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1CC(OCC)C1 2295691173 JBKRLZDCSOWTJX-WWDZGPRUSA-N 283.500 4.920 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc(C)c(Cl)s1 2300181460 VVHQTZXBRONNHP-AAEUAGOBSA-N 269.841 4.544 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]12C[C@H](C)[C@@H]1C2 2308838012 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2329118264 CMELXTZKLYUPHU-RMRHIDDWSA-N 277.408 4.513 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@@H]1C[C@H]1C1CC1 2333365542 OPQBTMHQYKJLND-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CC[C@@H](OC)C1 2335076012 QRUWXKSANXBTLS-BRWVUGGUSA-N 269.473 4.673 30 10 CJEE C=CC[C@H]1CCC[C@H]1NC[C@]1(C)CCCCC1(F)F 2337062361 MQVCJKZULGYQDW-ZNMIVQPWSA-N 271.395 4.536 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NC[C@H]1C[C@H]2CCC[C@H](C2)C1 2337068367 ZWSHPYXFGMZIDN-ILOCAZANSA-N 261.453 4.537 30 10 CJEE C=CCC[C@@H](C)[C@@](C)(CCCC(C)C)OCCCN 2337643998 SVLCYZVJDNXMEU-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CCCCCCC[C@@](C)(O)[C@H](N)CCC(CC)CC 2338129326 SMFCELNJMLSQOY-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)c1ccc(F)c(C)c1 2338732440 JFAXLTSWIGFYLE-QGZVFWFLSA-N 261.384 4.553 30 10 CJEE C#CCCCCCCN[C@@H]1CCCCC[C@@H]1C(C)C 2338805362 RBHRRWFHZMMWGT-QZTJIDSGSA-N 263.469 4.765 30 10 CJEE N#CC1(COCCCC2=CCCCC2)CCCCC1 2341031411 ANRDCTITEKGPMW-UHFFFAOYSA-N 261.409 4.758 30 10 CJEE C=CCCCCCCCCCOC[C@H](NC)C(C)C 2341357499 FOOJFLZVEUQAIX-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE C=C1C[C@@H]1[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341884976 MRYDXTHAGXZOCU-JKSUJKDBSA-N 298.257 4.870 30 10 CJEE N#C[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCCC(F)(F)C1 2342553381 CGICNBMKKLSCCX-ILXRZTDVSA-N 267.363 4.922 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H]1CNc1cc(C#N)ccc1Cl 2343264865 KJUFUDAHXZUUOL-OLZOCXBDSA-N 276.811 4.696 30 10 CJEE CC[C@@H]1C[C@@H]1CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 2343422043 BZDXROIUGNIBOX-YUSALJHKSA-N 296.197 4.606 30 10 CJEE CC(C)c1cccc(C[C@@]2(C=O)CCCC[C@H]2C)c1 2343745076 HWOSZXHNGQMXBZ-CRAIPNDOSA-N 258.405 4.748 30 10 CJEE C=C1CC(C[C@H](NC)c2cccc(C3CCC3)c2)C1 2343789208 OVRPKMIUMZKMTC-SFHVURJKSA-N 255.405 4.571 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@@H]2CCC[C@H]2C1)NCC 2344342162 HTJYIZKJCDXQBV-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)c(F)c(C)c1 2344347582 CPARSWCYPSPYES-IRXDYDNUSA-N 263.400 4.695 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(Cl)c1)NCC 2344348707 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CCCCCCC[C@@H](C[C@@H]1C[C@H]1CC)OCCC(=O)O 2359951705 ZJBRJKKVXJGKDM-PMPSAXMXSA-N 284.440 4.643 30 10 CJEE C=CCC(CC=C)N[C@H]1CCCC[C@@H]1c1ccccc1 2360344066 RAVYDUZMPCAINZ-MOPGFXCFSA-N 269.432 4.823 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C 36805581 OEFLXRPWOXHEBZ-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(Cl)cc1)O2 39842628 NRWCAOQYPYQMSU-SXGWCWSVSA-N 284.742 4.573 30 10 CJEE CCCCCCCC(=O)c1ccc(OC)cc1Cl 59332690 CDWDKNJTCIWMLG-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE C=CCc1cc(-c2ccccc2)cc(Br)c1O 66117525 COCWCNJSGMGREM-UHFFFAOYSA-N 289.172 4.550 30 10 CJEE CCC(C)(C)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 69433379 KVUSBBJSXVBELX-KZNAEPCWSA-N 284.447 4.583 30 10 CJEE CC(C)n1nc(C#N)cc1-c1ccc(-c2ccccc2)cc1 76844148 UIXJQZPTROAKEP-UHFFFAOYSA-N 287.366 4.670 30 10 CJEE CCCCOc1ccccc1-c1cc(C#N)c(CCC)o1 77081323 UDVOPODKNBRMEA-UHFFFAOYSA-N 283.371 4.950 30 10 CJEE CC[C@@H](C)Oc1cccc(-c2cc(C#N)c(C)s2)c1 77094533 YTUUJSKKNIJTCF-LLVKDONJSA-N 271.385 4.773 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(Nc2cccc(C)c2)CC1 86914126 GQIJMAJCRPGTDG-NVXWUHKLSA-N 256.393 4.660 30 10 CJEE CC(C)C1CC(C#N)(Sc2ccc(Cl)cc2)C1 90244332 NNVGBSUTGLECPR-UHFFFAOYSA-N 265.809 4.760 30 10 CJEE CCCCCC[C@@H](O)C1(C#N)CCC(C(C)C)CC1 91884831 ZCOLLBZRVVLFJK-AQFXKWCLSA-N 265.441 4.674 30 10 CJEE CCC(CC)N(CC(C)C)C[C@]1(C=O)CCC[C@H](C)C1 93310184 REANCQJIBUFAMK-WMZOPIPTSA-N 281.484 4.528 30 10 CJEE CC(C)[C@H](CS)COc1ccc(-c2ccccc2)cc1 94582737 FSPDHGZLZIIDCG-KRWDZBQOSA-N 286.440 4.934 30 10 CJEE CCCC[C@H](CC)COC[C@@H](CS)C(C)(C)C 94584020 OUOSYNYRNVKIFW-KBPBESRZSA-N 260.487 4.812 30 10 CJEE CC(C)CC1(CNCCCC(C)(C)C#N)CCCC1 94878674 MCYMLBBSMGNRGH-UHFFFAOYSA-N 264.457 4.512 30 10 CJEE CCCCCCCCCCN1CCc2ncccc2C1 95741296 RCHWYSIBLPXKSN-UHFFFAOYSA-N 274.452 4.580 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc(Cl)c(C)cc1OCC 107621372 OHTACAWTBLPFIF-DGCLKSJQSA-N 264.796 4.810 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1NCC 110081310 OQYYCGVQRQFJRX-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCOC[C@H](NCC)c1ccccc1 110083963 XGKMFXQJVSRLMZ-SFHVURJKSA-N 277.452 4.714 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)Cn1ccnc1 110166436 UJTYTDZWGCLDFY-SFHVURJKSA-N 293.499 4.782 30 10 CJEE CCCCCCCCCCCCNC[C@@H](CC)CCO 123938179 JIVISLPBLPPDEV-SFHVURJKSA-N 285.516 4.906 30 10 CJEE CCCCCCCCC[C@H](Cc1ccccc1Cl)NN 125872419 QGZDCVDZFYXFTD-MRXNPFEDSA-N 296.886 4.855 30 10 CJEE CCSc1cccc(N[C@H]2CCC[C@H](C)C2)c1C#N 126996049 IVKFLSTVSGCAPD-STQMWFEESA-N 274.433 4.661 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@H](OC)C1CC1 129319229 VINALVRHSDNWPM-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](NCC)[C@@H](OC)C1CC1 129529965 MOFXXOYHEOXUGL-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCCO[C@H]1CCC[C@@](C#N)(NC(C)C)C1 129660702 APPQANXAMSAKET-ZWKOTPCHSA-N 294.483 4.566 30 10 CJEE C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1ccc(C#N)cc1 129660943 FSHVORMCEIPYEV-CQSZACIVSA-N 284.447 4.814 30 10 CJEE CCCCCCCCCn1c(C)nc2c1CCCC2 130488089 MPCKGXDIXHJGLE-UHFFFAOYSA-N 262.441 4.821 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(Cl)cc1Cl 131598521 MVDWASJSQFHQCE-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccccc1Cl 135244553 YYKQJJXJOBZEAJ-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(N(C)C)c1 135437504 XAHPRWFBNDHMII-OAHLLOKOSA-N 262.441 4.914 30 10 CJEE CC[C@H]1CC[C@H](C)N1CC1(CS)CCCCCC1 136774759 GGIWKODQFACRSH-GJZGRUSLSA-N 269.498 4.520 30 10 CJEE CCSc1cccc(Sc2nc(C)cs2)c1C#N 136990615 IDOFRRXVQDBFCY-UHFFFAOYSA-N 292.454 4.586 30 10 CJEE CCCCCCC[C@H](NCC)c1ccncc1Cl 139598541 BAFAAEYDIKUAPT-HNNXBMFYSA-N 268.832 4.746 30 10 CJEE CCCCCCCCNCC[C@H]1CNc2ccccc21 159382560 JTKIRGYDYXVSSS-INIZCTEOSA-N 274.452 4.536 30 10 CJEE CC1(C)CCCC[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 164033963 OAKDPJXYDIHGJY-AWEZNQCLSA-N 296.336 4.958 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1C[C@@H]1c1ccccc1 167725659 VIZDRJFYMMFGPM-SQNIBIBYSA-N 257.421 4.515 30 10 CJEE CCCCCCCC[C@H](Cc1ccn([C@H](C)CC)n1)NC 168396916 FCXBBTXWJKCWFJ-IAGOWNOFSA-N 293.499 4.735 30 10 CJEE CC1(C)Cc2ccccc2[C@H]1Nc1cc(C#N)ccc1Cl 213270447 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GLOJLZOETANCSN-UHFFFAOYSA-N 262.780 4.732 30 10 CJEE N#CC1([C@H](O)c2cc(Cl)ccc2Cl)CCCCCC1 236572349 RPRXOFABJAXBEI-CQSZACIVSA-N 298.213 4.891 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@H]1CC 250798709 BUBUXIJMRVTWNC-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE C=CCCCCCCNCc1c(F)cccc1Cl 310751619 ILNTVTCFUOUQME-UHFFFAOYSA-N 269.791 4.705 30 10 CJEE CC1(C[C@@]2(C#N)CCCc3ccccc32)CCCC1 312085588 WJFGLBSGXNAHRZ-GOSISDBHSA-N 253.389 4.755 30 10 CJEE CC(C)(C)C#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C(=O)O 312248431 USBXTQFMYMRPEF-ILXRZTDVSA-N 278.436 4.589 30 10 CJEE CCCC[C@H](C)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 312638568 IEKJABOIVXFBOS-MWDXBVQZSA-N 278.484 4.851 30 10 CJEE C=C([C@@H](NCCC)[C@H](CC)c1ccccc1)C(F)(F)F 312967626 ONROYJZSFVTQKE-HUUCEWRRSA-N 285.353 4.667 30 10 CJEE O=CC1(Cc2ccc(Br)cc2)CCCCCC1 316522281 YRXAJSQFUZPZNZ-UHFFFAOYSA-N 295.220 4.531 30 10 CJEE CCC1CCC(C=O)(C[C@@H](OC)c2ccccc2)CC1 317311984 NXEOAKSXDSUYLV-IIIMJFFVSA-N 274.404 4.550 30 10 CJEE CC[C@H](C)[C@@H](C)[C@H](C#N)c1cccc(C(F)(F)F)c1 320095047 VEOTYIJSVHHTCV-WDMOLILDSA-N 269.310 4.995 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@H](OCC)C1(C)C 378688423 XMUKTTNTCODZNN-IKGGRYGDSA-N 284.484 4.939 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCc3ccccc32)C[C@H]2CC[C@H]1C2 380104473 NVXWDIXXUZVOCM-XPYUAMARSA-N 265.400 4.827 30 10 CJEE C=CCCCCCCNc1ccc(N)cc1C(F)F 382070126 ZLEDFKHZWZZICV-UHFFFAOYSA-N 268.351 4.755 30 10 CJEE CCCCCCCC[C@H](NCC)C(C)(C)SC 382998155 AITKFMNRAXRDCJ-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1nc(C2CCCCC2)no1 543546399 XODNSEQDFVULSN-KGLIPLIRSA-N 291.439 4.513 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)CC[C@@H]1c1ccccc1 553507312 OPTQSTATVSNGSR-XYJFISCASA-N 285.431 4.589 30 10 CJEE CCC1([C@@H](O)C2(C#N)CC(C)(C)CC(C)(C)C2)CCC1 686136117 BYLTVZBSJVRGSJ-CQSZACIVSA-N 277.452 4.674 30 10 CJEE C#CCCCCC[C@@H](NCC)c1c(C)cc(C)cc1C 686693819 YIIWCECDQYTXJT-GOSISDBHSA-N 271.448 4.846 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCCC2CC2)C1 688021683 WECBEQKHCLQRHV-UHFFFAOYSA-N 250.426 4.988 30 10 CJEE CCCCCCCCC[C@H](C[C@H](C)CC(F)F)NN 688836660 CSXUNJKYPMZHQC-UONOGXRCSA-N 278.431 4.640 30 10 CJEE CC[C@@H]1CCCCC[C@]1(O)C1(C#N)CCCCCC1 691097802 BUPOMONRQUHRBN-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1csc(C)c1 692272221 LGPRNOHDTUHCAN-LZWOXQAQSA-N 263.450 4.842 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@]12CCCC[C@@H]1C2 693269346 ZFRKZBYWQFRGPS-IXDOHACOSA-N 266.473 4.539 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC(C)(C)CC(F)F 694002575 ZVNQYZOOQDYDHS-HNNXBMFYSA-N 261.400 4.638 30 10 CJEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698450585 AFHBLKFHOUVGPQ-YOEHRIQHSA-N 296.455 4.885 30 10 CJEE CCCCCC(C)(C)CNCc1ccc(C)c(C#N)c1 701831636 QVKZMYPBFVIATK-UHFFFAOYSA-N 272.436 4.563 30 10 CJEE C=CC(C)(C)CCN[C@H](c1cccs1)C(C)C 701907972 KXLSZLBHUWKTDO-AWEZNQCLSA-N 251.439 4.637 30 10 CJEE CCCCCCCN[C@@H](c1ccc(OC)cc1)C1CC1 703718501 VEPPTNLBQQOIOT-GOSISDBHSA-N 275.436 4.706 30 10 CJEE CCCCCCCn1c(S)nc2cccc(C)c21 703728742 TVVCLMQFCQUCFX-UHFFFAOYSA-N 262.422 4.604 30 10 CJEE C[C@@H]1C[C@@H](NCCCCC(C)(C)C#N)CC(C)(C)C1 708352138 FAIIQMNJCSEHME-HUUCEWRRSA-N 264.457 4.511 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@@H]1CCCC(C)(C)C1 709239323 QRWPHVZFGMXNRE-CQSZACIVSA-N 276.811 4.617 30 10 CJEE CCCCCCCCOC[C@@H](N)c1cccc(Cl)c1 709510756 BBCOEKKUNZWRRK-MRXNPFEDSA-N 283.843 4.717 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]21 714273883 DOXZEZFLQHMTKC-HZUKXOBISA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(OC(F)F)c1 715706565 SPTZUQMPVLCECY-IUODEOHRSA-N 283.362 4.541 30 10 CJEE C=CC[C@@H](C)C(=O)c1ccc(Cl)cc1C(F)(F)F 715714627 LWLPZYAYQHHNQD-MRVPVSSYSA-N 276.685 4.754 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@H]2CCCS2)C1 715843655 RDAIBUIBESECIW-CYBMUJFWSA-N 268.466 4.694 30 10 CJEE CCCCCCCCCc1nc2cccc(OC)c2[nH]1 721200759 YZVRWOXEIHBUDT-UHFFFAOYSA-N 274.408 4.865 30 10 CJEE C=CCN(CCC)c1ccc(Cl)cc1CNC(C)(C)C 723188223 VFPXLCWZWRKDJB-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(CC(=O)c2c(C)cc(C)cc2C)CC1 724581608 FICSPDXUNLZDTP-UHFFFAOYSA-N 256.389 4.931 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CSc3ccccc32)CC1 724589485 GZVSVBLUBOBULW-OAHLLOKOSA-N 272.413 4.582 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2cccc(F)c2)CC1 724590024 UVANDUONUMZOPU-QGZVFWFLSA-N 261.384 4.613 30 10 CJEE N#Cc1cc(C(F)(F)F)c2sc(C(F)(F)F)cc2c1 725324839 URASMRNQFVNBQF-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE CC(CCc1ccc(F)cc1)=NNc1cccc(F)c1F 743442777 GOJDYPAGBLBXPT-UHFFFAOYSA-N 292.304 4.525 30 10 CJEE C=C(C)CCC(=O)N(C)c1ccccc1Oc1ccccc1 1125474515 NSBJJGCBEVGILB-UHFFFAOYSA-N 295.382 4.798 30 10 CJEE C=CCC(CC=C)C(=O)N1CCCC2(CCCCC2)CC1 1128132504 OOWBJZNNYXBDKH-UHFFFAOYSA-N 289.463 4.718 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@]1(C)CC(C)C)c1ccccc1 1129200944 BFKKAZOPMBTRMK-YLJYHZDGSA-N 299.458 4.774 30 10 CJEE C=CCC1(NC(=O)c2cccc(C3CCCC3)c2)CCCC1 1131251457 LFPFRNVYNMFDDD-UHFFFAOYSA-N 297.442 4.963 30 10 CJEE C=C(C)[C@H](NCCCC(C)C)c1ccc(F)c(F)c1 1169474660 VGDDGHXDLWPSGL-INIZCTEOSA-N 267.363 4.608 30 10 CJEE N#Cc1ccc(CNC2CCC3(CCCCC3)CC2)s1 1173116301 QFZYYNAADSIKTJ-UHFFFAOYSA-N 288.460 4.602 30 10 CJEE C=C(C)[C@H](NC[C@@H]1CC=CCC1)c1ccc(F)c(F)c1 1178524686 MKJQLXYQRMMZFO-DYVFJYSZSA-N 277.358 4.528 30 10 CJEE C=CCCCCCN(C)C/C=C\c1ccc(F)cc1F 1180199746 XFDAXRJTIWPEJO-HJWRWDBZSA-N 279.374 4.656 30 10 CJEE C#Cc1ccc(NCCc2cc(Cl)cc(Cl)c2)cc1 1207753336 WYRKBTVVNQYTTM-UHFFFAOYSA-N 290.193 4.629 30 10 CJEE C=CCOc1ccc(CNCC2(CCC)CC2)cc1Cl 1308326646 NQFDVKAIKPGMAP-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@H]2c2ccc(C)cc2)cc1 1308974730 TWHFVXQYLWLOLP-PMACEKPBSA-N 275.395 4.725 30 10 CJEE C=CC(C)(C)CC(=O)N(CCc1ccccc1)C1CCCC1 1352569489 VTHYTHBVVITFKK-UHFFFAOYSA-N 299.458 4.603 30 10 CJEE C=CCCC[C@H](C)NC(=O)/C=C(\C)c1ccccc1Cl 1357587088 NDVWLXUJFCMJKB-FNDVETGQSA-N 291.822 4.604 30 10 CJEE C=C(C)C(C)(C)C(=O)N(C)C1CCC(C(C)(C)C)CC1 1358317405 SUERVCPUGQFIAN-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE C=CCCCCCCNC(=O)CCC1CCCCC1 1459920713 SXYLMARWHXJLNK-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CCN(Cc1cscc1Cl)CC1CCCCC1 1461985917 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C=C(CC(C)C)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 1584125555 WRSPPEGUXUNJPZ-CVEARBPZSA-N 279.468 4.557 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCC1CCCC1 1586140155 PIHUNGABUAOSDV-IAGOWNOFSA-N 277.452 4.598 30 10 CJEE C=CCCCCCCCNC(=O)c1cc(C)c(CC)s1 1596319932 ZVFNMHJDFWAHSK-UHFFFAOYSA-N 293.476 4.875 30 10 CJEE C=CC(C)(C)CCCN[C@H]1C[C@H](OC(C)(C)C)C1(C)C 1621511214 UCSZZUFPJHIYKQ-GJZGRUSLSA-N 281.484 4.551 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 1631303664 OADIZOYQBHGFNA-IRXDYDNUSA-N 294.483 4.589 30 10 CJEE C=CCCCCOc1c(F)cc(Cl)cc1Cl 1641220575 ZRLQQASMSUOZJW-UHFFFAOYSA-N 263.139 4.868 30 10 CJEE C=CCOc1ccc(CN(CCCC)C(C)(C)C)cc1 1644904979 ARMSTNZOTLCCJV-UHFFFAOYSA-N 275.436 4.652 30 10 CJEE C=CCN(Cc1ccc(C2CC2)cc1)c1ccccc1 1652229975 IRMPALINTCTZMQ-UHFFFAOYSA-N 263.384 4.757 30 10 CJEE CCCCCCCCCN(C)Cc1ncccc1C 1652337049 RSEYRHOQNJDGMU-UHFFFAOYSA-N 262.441 4.572 30 10 CJEE C#Cc1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(Cl)c1 1653185670 ZYWITBPHAROUIY-SGMGOOAPSA-N 261.796 4.558 30 10 CJEE CCCCCCCN(C)[C@@H]1CC[C@H](SCC)C1 1657412083 PZXJXYQPNJHAMC-CABCVRRESA-N 257.487 4.563 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C2CC2)[C@H](C)C2CC2)c1 1673600815 TZQOIMJJPAUUJW-CYBMUJFWSA-N 284.403 4.515 30 10 CJEE CCCOc1ccccc1/C=C/C(=O)c1cc(C)ccc1C 1874579796 JBGRFXHSTBBQKB-VAWYXSNFSA-N 294.394 4.988 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@](C)(F)C(F)(F)F)CC1 1876573045 GNGKXQRDKDDQFM-GXFFZTMASA-N 280.305 4.619 30 10 CJEE Cc1cccc(Cl)c1N=C1N[C@]2(CC[C@H](C)C2)CS1 1880888531 ZXVQNSHZKNHFPZ-BONVTDFDSA-N 294.851 4.531 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2CC1C[C@@H](C)C[C@H](C)C1 1884739473 WIANXJOJBGVWOO-DFEHZGFQSA-N 261.453 4.632 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(F)c(Cl)c1 1887454360 XYCKLFKLOMVSTR-LRDDRELGSA-N 281.802 4.569 30 10 CJEE C#CC[C@H](C)C[C@@H](CC1CCCCCC1)NCCC 1887473733 BANPSJTZKAIWNQ-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE CCCN(CC1(CS)CCCC1)C1CCCCCC1 1888615479 LZWXNDAESYLDQT-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H](C)C1CCCC1 1888681237 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288.407 4.508 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC(C)(C)c1ccccc1 2344468905 RKNGZGQYGBNXTN-WMZOPIPTSA-N 260.421 4.708 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC[C@@H]1CC12CCCCC2 2352166010 LWSKXAQGAJNGKZ-GOEBONIOSA-N 284.509 4.956 30 10 CJEE C=C(F)C[C@H](NCC)C1CCC(CC(F)(F)F)CC1 2353646718 YVYAPILSDOUHLP-BPCQOVAHSA-N 281.337 4.597 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(SC)c2)C1 2353832366 YQSPCUWVLWXXKH-TZMCWYRMSA-N 274.433 4.661 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)C[C@@]12CCC[C@@H]1C2 2359888228 HWWXSDSHMSTELT-QYZOEREBSA-N 273.464 4.519 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1CCC1(F)F)NCCC 2360412262 SXEYVLGVNMXHEX-CVEARBPZSA-N 279.374 4.503 30 10 CJEE O=C(/C=C\Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 6221251 HJTWKGGNODOTNM-KTKRTIGZSA-N 292.165 4.802 30 10 CJEE C[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N 37333907 KZHXDRVZMNTBHQ-MFKMUULPSA-N 282.309 4.568 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C(F)(F)F)cc1C#N 37334052 AWQBRIHOQLAMAI-SMDDNHRTSA-N 297.320 4.925 30 10 CJEE CCC[C@H](C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 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KZKPTCDLSIFSRG-ZHALLVOQSA-N 290.495 4.996 30 10 CJEE CCCn1c(C2(CC)CCCC2)nc2cc(C#N)ccc21 94909433 WISCHHWPVADWGC-UHFFFAOYSA-N 281.403 4.540 30 10 CJEE CCCCCCCO[C@H](c1cccs1)[C@H](N)CC 103454442 TXMVBEYSVLPFPF-HIFRSBDPSA-N 269.454 4.514 30 10 CJEE CCCCCCC[C@H](NCCC)c1cccc(C)n1 104349539 LOWBUBKPQFHSRJ-INIZCTEOSA-N 262.441 4.791 30 10 CJEE CCCCCCCC(=O)Nc1cccc2c1N[C@@H](C)CC2 108631542 WXBSHTJODJGTHY-AWEZNQCLSA-N 288.435 4.732 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCO1)NCCC 109724164 CRDGNJSJKBRNIL-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C)cc1C(=O)OC 109782107 FSBIZIOCAPQMGM-OAHLLOKOSA-N 291.435 4.943 30 10 CJEE CCCCCCCCO[C@H](c1ccccc1F)[C@@H](C)N 109988706 CPXXKKFAGKGGLT-PBHICJAKSA-N 281.415 4.591 30 10 CJEE C[C@H]1CC(C)(C)C[C@](C#N)(Nc2ccccc2Cl)C1 110028963 INFSCTNPBVSJGI-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE CCCCCCCCOCCN[C@@H](C)c1cccs1 110239508 YTZLXRRAEOPQHR-HNNXBMFYSA-N 283.481 4.776 30 10 CJEE CC(C)CN(CC(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110263425 LJOOSEFZOGQORM-KZNAEPCWSA-N 292.511 4.955 30 10 CJEE CCCCCCCCCCCCn1ncc(C(=O)O)c1C 112929803 ZCSBDLYCGIUXLO-UHFFFAOYSA-N 294.439 4.811 30 10 CJEE CCCCCCCN1CC(CC)(CC)NCC1(CC)CC 114071908 QOIGZHXRYUCSFJ-UHFFFAOYSA-N 296.543 4.980 30 10 CJEE CCCCCCCCN1C[C@@H]([C@@H](C)CC)NC[C@@H]1CCC 115237735 VVJANEYSBKZGEX-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1ccn(C)n1 115688952 CLCHGPAFQZGEFM-QGZVFWFLSA-N 280.456 4.765 30 10 CJEE CCCCCCCCCC[C@@H](CC[C@H]1CCCCO1)NN 122636075 PAASMYIAIKADNJ-ZWKOTPCHSA-N 298.515 4.698 30 10 CJEE CCCCCCCC[C@@H](NN)C(C)(C)c1ccccc1 126133151 BYUYNENPWXXTNZ-QGZVFWFLSA-N 276.468 4.547 30 10 CJEE CCCCCCCCCCN[C@H](CC)CSC 132679555 OKDQDFJUZLEPHY-OAHLLOKOSA-N 259.503 4.858 30 10 CJEE CCCCCCCn1cc2c(c1)[C@H](NCC)CCCC2 135442319 ZPTYGSBHUVNEOY-GOSISDBHSA-N 276.468 4.836 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1cccnc1 158044847 PCRMSOZZSCCZNT-GOSISDBHSA-N 277.452 4.906 30 10 CJEE CCCCCCCC[C@@](O)(CC)c1ccc(F)cn1 162453788 GXFBXIJIGDEDFP-INIZCTEOSA-N 267.388 4.569 30 10 CJEE N#Cc1ccc(CO[C@@H]2CCCc3ccccc32)c(Cl)c1 162974680 IOCDNPJHASKJTR-GOSISDBHSA-N 297.785 4.806 30 10 CJEE CCCCCCCCCC[S@@](=O)c1ccc(N)c(F)c1 166056515 HXKDQQBZNKSBAL-FQEVSTJZSA-N 299.455 4.656 30 10 CJEE C=CCC[C@H](NCCC)c1cc(Br)ccc1C 167766165 HVINCARFIBAAQW-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCOc1ccccc1/C=C\C(=O)c1ccc(C)c(C)c1 216698503 KLUWCSKFUAHWPA-QXMHVHEDSA-N 280.367 4.598 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCCC[C@H]1N 226475744 SNKRCZJUJPEOTD-JKSUJKDBSA-N 267.457 4.604 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc(C3CC3)c2)C1 227622545 FHSNPQHFSQCELR-CCKFTAQKSA-N 283.415 4.708 30 10 CJEE CC#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCCC 231664425 JCCIBQICSYJXBE-KZNAEPCWSA-N 277.496 4.868 30 10 CJEE CCCCCCCCCC[C@H](CC1CCC1)NN 232187951 UDVZBNPSDQDTRM-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE Cc1cc(Cl)ccc1[C@@H](C#N)Nc1ccccc1Cl 235764553 URZNNHYJJMMMGC-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE Cc1ccc(Nc2ccccc2C(F)(F)F)c(C#N)c1 235867963 GMOIWTWOQRSNRB-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(F)c(Cl)c1 236549821 WKBMXEIJKZJJAL-CQSZACIVSA-N 256.748 4.649 30 10 CJEE CC[C@@H](C)c1ccc(-c2cnc([C@@H](C#N)CC)[nH]2)cc1 259178833 VXSPVSHZSAMYEQ-CHWSQXEVSA-N 267.376 4.607 30 10 CJEE CC(C)(C#N)Cc1cc2cc(C(F)(F)F)ccc2o1 260000423 ACRSADTUGYUATQ-UHFFFAOYSA-N 267.250 4.544 30 10 CJEE CC[C@H](C)c1ccc(C2(C#N)CC2)cc1Br 260390740 HGBJNMGRCLEFBX-JTQLQIEISA-N 278.193 4.518 30 10 CJEE CC(C)c1cc(Br)cc([C@@H](C)CC#N)c1 260848413 HCLNXRFQJDGADG-JTQLQIEISA-N 266.182 4.590 30 10 CJEE CC[C@H](C)OCC1(C#N)CCC(C(C)(C)C)CC1 311220970 UWCXXASDQJSLMA-HLIUYOAVSA-N 251.414 4.548 30 10 CJEE CC[C@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1 313425704 KXEUIRZGPLNWMB-KRWDZBQOSA-N 284.790 4.969 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)cc2F)C1 316623338 BHYVNJDHCFSZTI-MLGOLLRUSA-N 282.786 4.807 30 10 CJEE N#C[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 380226629 KOGSHMDWHGBSQP-OBCWZRDOSA-N 279.305 4.749 30 10 CJEE C=C[C@](C)(CNCCC)C[C@@H](C)C1CCCCC1 380902151 OHWAKMOMQJPPPU-WBVHZDCISA-N 251.458 4.785 30 10 CJEE C=C(C)CCN[C@@H](c1ccccc1)C1CCCCC1 386862960 JSKJHNDJEXHNFO-SFHVURJKSA-N 257.421 4.864 30 10 CJEE CCCCCCC[C@H](C)NCCOCc1ccccc1 390087762 HEOIVJUYZOQOTO-KRWDZBQOSA-N 277.452 4.542 30 10 CJEE Cc1ccccc1N[C@@H](C#N)C1(C)CCCCCC1 394674983 RHBLRQUUKFQPHZ-INIZCTEOSA-N 256.393 4.660 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(Cl)nc2sccc12 398139076 NLTYAMQSYJJLAN-SECBINFHSA-N 281.812 4.501 30 10 CJEE C#CCCCCCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 686708493 GUCXRUOEKFVCPX-QWHCGFSZSA-N 274.326 4.508 30 10 CJEE CCC(CC)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316250 QBNASGQQZMBXKK-CQSZACIVSA-N 265.441 4.530 30 10 CJEE CCCCCCC[C@H](O)C[C@H]1CC2CCC1CC2 691772125 LLZHEXQMDSDCGA-BACDZXNISA-N 252.442 4.924 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCC[C@H](C)c1ccccc1 692215376 QIIVTEVLDPUAFW-UHOSZYNNSA-N 271.448 4.905 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CC)C[C@@H](C)CC 692254332 ODQVHVCEHZIIQD-HZMVEIRTSA-N 251.458 4.926 30 10 CJEE C=CC[C@@H](CNCCC)CC(C)(C)CC(F)(F)F 694043048 AVPRGIBMPNQLIF-GFCCVEGCSA-N 265.363 4.547 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc2cscc2s1 694416619 GVNYJBFDWXXDJJ-LLVKDONJSA-N 251.420 4.580 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](CC)CN 696168648 GQEJZOWMNVQLLL-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CN(CC1CCC2(CC1)CC2)c1ccc(C#N)c(Cl)c1 696190059 PYHDLARABNFXOI-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CCCCCCCC[C@@]1(CNC2CC2)CC1(C)C 702136221 VOOMCOOVDXGQDH-KRWDZBQOSA-N 251.458 4.905 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CC2(c3ccccc3)CC2)C1 704043266 PHCHMDDWIRNUFM-NVXWUHKLSA-N 253.389 4.828 30 10 CJEE CCN(C1CCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 706781368 JMSJKQBQPYQLEM-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@H]1CCCC12CC2 706963015 WESRRMRRVXLUSO-SJORKVTESA-N 280.500 4.929 30 10 CJEE Cc1cccc(C#N)c1N[C@@H]1CCC[C@@H]2CCCC[C@@H]21 714262323 QGRSLXQRZUADQL-BHYGNILZSA-N 268.404 4.638 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@@H](N)CC1CC1 716339572 FATAAKLUSIXMHR-ZWKOTPCHSA-N 283.500 4.786 30 10 CJEE Cc1cc(C)cc([C@@H](C#N)[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1 719378040 SBIFKHBVZMXLOP-MXSMSXNCSA-N 255.405 4.983 30 10 CJEE CCCCCCC[C@H](NCCC)C1C2(CC2)C12CC2 720321251 CWYIBUFGGLLRNS-HNNXBMFYSA-N 263.469 4.905 30 10 CJEE CCCCCCCCCc1ncc(CC(=O)OCC)s1 720998022 HXRZFRCPIZQEEQ-UHFFFAOYSA-N 297.464 4.542 30 10 CJEE CCC(C)(CC)c1nc(-c2cccc(C#N)c2)cs1 721699072 UCHMLMKEWCQIDQ-UHFFFAOYSA-N 270.401 4.759 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CCCC2(C)C)CC1 724618943 QTVHLLSBHVYHMD-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=C(CC)C(=O)Nc1ccc(S[C@H](C)CC)cc1C 1136473941 FLMJUSJGEYTYSE-CYBMUJFWSA-N 277.433 4.790 30 10 CJEE C=CCCC(C)(C)NCc1ccc(-c2ccccc2F)o1 1179232723 OUTCEWMDPLHMRD-UHFFFAOYSA-N 287.378 4.920 30 10 CJEE C=CCCC[C@@H](NCC1CC(C)C1)c1ccccc1 1197378454 ZZFPHEIFICYOJZ-LEOMRAHMSA-N 257.421 4.720 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(C)CCOC1 1258230883 DEOYXQTWAYNEKY-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=CCC1(C(=O)NCCCC2CCCC2)CCCCC1 1264018298 XQMYPFUWKFHBLL-UHFFFAOYSA-N 277.452 4.600 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 1267082533 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2158454337 NUVRSSHDTVMCLN-UHFFFAOYSA-N 282.412 4.672 30 10 CJEE CC#C[C@@H](NCCC)c1ccc(-c2ccc(F)cc2)s1 2164223172 WXTQZNHXNNCEDZ-OAHLLOKOSA-N 287.403 4.618 30 10 CJEE CCCCCCCCCCNCC1([C@H]2CCCO2)CC1 2164391403 CACDMSWBHIYQQX-QGZVFWFLSA-N 281.484 4.676 30 10 CJEE CN(Cc1cc2ccccc2s1)C1(C#N)CCCCC1 2165000060 GDWDOBKCCZCWMX-UHFFFAOYSA-N 284.428 4.560 30 10 CJEE CCCCCCCCCCCCOC[C@]12CNC[C@@H]1C2 2165460334 RRHDKVZLDNKXBI-ROUUACIJSA-N 281.484 4.533 30 10 CJEE C#CC(C)(C)C[C@H](NCCC)[C@H]1CCCc2sccc21 2167603740 LTPWBDBORRZALC-HOCLYGCPSA-N 289.488 4.586 30 10 CJEE C#CC(C)(C)C[C@@H]1CC(C)(C)CC[C@H]1CNC(C)(C)C 2167605070 WNKNMVRGFYBZQO-JKSUJKDBSA-N 277.496 4.867 30 10 CJEE C=CC1(C[C@H](NCC)[C@@H]2CC[C@]3(C2)CC3(F)F)CCC1 2168030948 LMLDMCQNSZDDPQ-YCPHGPKFSA-N 283.406 4.536 30 10 CJEE C[C@@H](N=C1NC2(CCCC2)CS1)[C@@H]1CCCC(C)(C)C1 2168617802 MXDALMHZNDUKDJ-ZIAGYGMSSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCNC1C(C)(C)C(OC)C1(C)C 2169294661 CRZVTGPHZCBZSC-UHFFFAOYSA-N 283.500 4.776 30 10 CJEE C=C(C[C@@H]1C[C@H](CCC)CC[C@H]1CNCC(C)C)OC 2171024478 TXFQCRIVXBOUQS-FGTMMUONSA-N 281.484 4.615 30 10 CJEE CC1(CN=C2N[C@H](C3CCCC3)CS2)CCCCCC1 2172659748 JRTMSOIWIWDOIA-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE C=CCCC[C@H](C[C@@H]1CC(C)(C)OC1(C)C)NCCC 2173113566 KFZRIZJYIQAKLG-HZPDHXFCSA-N 281.484 4.695 30 10 CJEE CO[C@H](C[C@@]1(C#N)CCCCC12CC2)c1ccccc1 2173621394 FQVRFSIQZDTQJW-SJLPKXTDSA-N 269.388 4.628 30 10 CJEE CC(C)(C)CC[C@](C)(O)[C@@]1(C#N)CCCCC12CCC2 2173625909 MVBYJLXPHXLTQJ-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE CC(C)C(C(C)C)[C@@](C)(O)C1(C#N)CCC2(CC2)CC1 2176611534 VMLQSIBZLWQBSO-MRXNPFEDSA-N 277.452 4.530 30 10 CJEE CC(C)C[C@H]1CNC(=NCCCC2CCCCC2)SC1 2177247736 AHPAUEBASSOGKF-INIZCTEOSA-N 296.524 4.702 30 10 CJEE CCCCCCCCCC[C@H](C[C@H]1CCO[C@@H]1C)NC 2177646754 GUPYZPYGKRNESH-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE C#CCOc1ccc(N[C@H](C)c2cc(C)sc2C)cc1 2179321796 QQFHUGSIVPNKBA-CYBMUJFWSA-N 285.412 4.550 30 10 CJEE Cc1ccc(CC(=O)C2=CC[C@@H](C(C)(C)C)CC2)cc1 2181673690 PNIUVZNCOFBIQY-QGZVFWFLSA-N 270.416 4.879 30 10 CJEE CCCCCCC[C@]1(CNC(C)C)CCC[C@@H](OC)C1 2182788711 LHNNHXGRWKIIQL-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCC1CCC([C@@](C)(O)[C@](C#N)(CC)C(C)C)CC1 2184375434 QTNWAHPMWDDBHK-HIEASXQVSA-N 279.468 4.920 30 10 CJEE N#Cc1cc(F)c(Cl)cc1NC[C@H]1CCCC2(CC2)C1 2184459186 ZBWBCBDEBIZWCT-NSHDSACASA-N 292.785 4.733 30 10 CJEE N#Cc1cc(F)c(NCC23CCC(CC2)CC3)cc1Cl 2184901891 ULTBCWFEKRKGSN-UHFFFAOYSA-N 292.785 4.733 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(C)OC 2185218241 KHKMYEOZKLRUMA-AVEIZBFRSA-N 281.484 4.529 30 10 CJEE C[C@@H]1Cc2ccccc2[C@H]1Nc1cc(Cl)ccc1C#N 2185454613 LUMKJYRGZBCKAR-DIFFPNOSSA-N 282.774 4.557 30 10 CJEE CCc1ccc(C#N)c(N[C@H](CC)c2ccccc2)c1 2188843615 AJTIZCBRKMRPID-QGZVFWFLSA-N 264.372 4.684 30 10 CJEE C=CC1(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 2189508538 HHSNHMMIZYHDOT-KBPBESRZSA-N 289.385 4.691 30 10 CJEE CCCCCCC[C@H](C[C@]12CCOC[C@H]1C2)NCCC 2194483127 XMQZSBKVFUWOHQ-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CC1CC2(C1)C(F)(F)C21CC1 2195060623 CGSQUUCFMSGPLI-REWIBIJMSA-N 279.374 4.922 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CC(C)(C)CO1 2195674018 LWXRWGDVVXUUAL-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE CC#CCCCCC[C@H](NCCC)c1ccccc1F 2196172740 WEJULIDWRRRTGX-SFHVURJKSA-N 275.411 4.840 30 10 CJEE C=CCCCCCC(=O)[C@@]1(O)CCCC12CCCCC2 2196595187 MWUXSWIOPBFDJK-SFHVURJKSA-N 278.436 4.558 30 10 CJEE CCCCCCCCN(C)[C@](C)(CN)CCCCCC 2196739183 ZCBCKDRPMOJUKB-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCCN(C)C[C@H](N)CC1CCCCC1 2196739586 TZMOKVXMZGSTDB-GOSISDBHSA-N 282.516 4.576 30 10 CJEE C#CC[C@@H](C)CC[C@H](CNC(C)(C)C)c1ccccc1 2196856110 TZVCGLOUHQYLCZ-SJLPKXTDSA-N 271.448 4.598 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)C(CC)(CC)C(F)(F)F 2197154079 GTKFEHLWDPCZLA-CQSZACIVSA-N 285.353 4.657 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@]1(C)CCCC1(F)F 2197154222 HURXQEXVXLMEFK-CVEARBPZSA-N 279.374 4.503 30 10 CJEE CC(C)(C#N)CCCNC[C@@H]1C[C@H]1C1CCCCCC1 2200076242 LNWNLQHLNABZBL-IRXDYDNUSA-N 276.468 4.512 30 10 CJEE CCCCCCCC[C@H](N)C[C@H]1C[C@H]1C1CCOCC1 2200386014 MSSJAAWHWXXGLN-BZSNNMDCSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H](O)[C@H]1C[C@H]1CCC 2200409538 XMTUSKFSAJYASN-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCC[C@@H]1C[C@H]1[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 2200486189 CKNICOZPVRCUDS-HCBPCCMXSA-N 277.452 4.530 30 10 CJEE CCCCCCC[C@@H](C[C@@]12CC[C@@](CC)(C1)OC2)NC 2201850735 QBWLOOXHOLMUIF-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CC1(C)CC(COc2cccc(C#N)c2)CC(C)(C)C1 2203138939 OEHWQIUHPYOULU-UHFFFAOYSA-N 271.404 4.790 30 10 CJEE CCCCC#CC[C@@H](NCC)[C@]1(C)CCCC(F)(F)C1 2203788382 XYJWLBSNROQTRL-HZPDHXFCSA-N 285.422 4.764 30 10 CJEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1)C1CCCCC1 2203798967 SXFBYTAZAJPLCI-ROUUACIJSA-N 289.850 4.963 30 10 CJEE CCCCCCCC[C@H](N)c1cc(F)cc(OCC)c1 2204200949 VTYBUMDGRLNUTM-KRWDZBQOSA-N 281.415 4.975 30 10 CJEE CCC1CCC(C=O)(CN(C)c2cccc(Cl)c2)CC1 2204439381 UDVVOVJIUJFMJG-UHFFFAOYSA-N 293.838 4.562 30 10 CJEE CC(C)[C@H]1CC[C@H](n2c(=S)[nH]c3c(C#N)cccc32)C1 2206134632 TUOADLLTVZHZNQ-AAEUAGOBSA-N 285.416 4.568 30 10 CJEE C=CCCCCCCCCC(=O)[C@H](O)[C@@H]1CCC[C@H]1C 2207372661 GWWSABIIFVHJMZ-JFIYKMOQSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCCCCC(=O)CN(CC)CC 2207373667 MTLZABBLFFSZHB-UHFFFAOYSA-N 281.484 4.984 30 10 CJEE C=CCCCCCCCCN1CCOCC[C@@H]1CCC 2207375307 SQXPHLXPBASZCB-SFHVURJKSA-N 281.484 4.794 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](O)c1cccs1 2207404538 UCPMRZPJQRZSPD-RDJZCZTQSA-N 295.492 4.806 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](OC)C1CCC1 2207404679 OUAVRFKXEJTIJP-ZWKOTPCHSA-N 281.484 4.826 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](OCC)C1 2207412112 FWSWNTWWSUISRM-KURKYZTESA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](CCC(C)(F)F)NCC 2207444626 KXGBSKPSYBTPKC-CABCVRRESA-N 293.442 4.511 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NC)c1ccc(Cl)cc1 2207450241 RIBDGRHMUZWOAR-IRXDYDNUSA-N 297.870 4.712 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1sccc1C 2207454011 QZULMFYHPZUVJR-HZPDHXFCSA-N 297.508 4.819 30 10 CJEE Cc1cc(Cl)c(C(=O)C2=CCCCCC2)cc1F 2217540971 LKTQQOFOKBDEGO-UHFFFAOYSA-N 266.743 4.861 30 10 CJEE CCCC#C[C@H](CCCCCCCCC)NCC 2218435686 QITZEDBRWOYZEH-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE C=CCCCCCCCN[C@@](C)(CC=C)C(F)F 2220080886 ZPACUOUSXKQTGK-HNNXBMFYSA-N 259.384 4.703 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1C[C@H]2C[C@@H]1C2 2222314740 SNVBBZYXXZIAMT-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE C=CCCCCOCc1csc(CNC(C)(C)C)c1 2225679533 RARNBICUTULAIH-UHFFFAOYSA-N 281.465 4.509 30 10 CJEE C=CCCC[C@H](C/C=C/c1ccccc1)NCCC 2226211188 SCYJGQDLYGAIDI-LVMGUKCRSA-N 257.421 4.814 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)C1CCC(CCC)CC1 2226325538 DRDWLKHFOJBLEQ-AQEOSJORSA-N 263.469 4.619 30 10 CJEE C=CCCCCCCC[C@H](N)C12CCC(F)(CC1)C2 2227291201 OVWAKLCTRZDSDL-GTPINHCMSA-N 267.432 4.903 30 10 CJEE CCCC(CS)(CCC)CN1CCC[C@]1(C)C1CC1 2230414001 ZUVYMXJCLCXGMJ-MRXNPFEDSA-N 283.525 4.767 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1ccc(Cl)c(C)c1 2231491441 KVUYILMVKZUJLN-ZBFHGGJFSA-N 279.855 4.771 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@H](C)CCC 2231844837 GJQFCHWJNVWMOT-DLBZAZTESA-N 270.505 4.575 30 10 CJEE CCCCCCCC[C@@]1(C)CC[C@](C)(CNCC)O1 2231906373 KKUJQCRPYOBLLQ-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@](C)(O[C@@H](C)CCC)C(=O)O 2231907366 VDHXCRDBLWSCFL-HOCLYGCPSA-N 272.429 4.786 30 10 CJEE CCCCCCCC[C@H](C)N[C@H](CC)c1ncc[nH]1 2231925739 OPFWBZUHLIWLAW-LSDHHAIUSA-N 265.445 4.590 30 10 CJEE C=C(C)CC[C@H](CC1CC(OC(C)(C)C)C1)NCCC 2232960742 QIEOZKUZGGVMPX-AQFXKWCLSA-N 281.484 4.695 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@@H]1CC2CCC1CC2 2235532804 OALXERXVSAYDIP-HIEASXQVSA-N 278.484 4.561 30 10 CJEE C=CCCCCCCCN1CCCCC[C@@H]1CC(C)=O 2235536170 SMIGTARPXMOMDU-GOSISDBHSA-N 279.468 4.737 30 10 CJEE CC1=CC[C@](C)(CN(C)CC#CC2CCCCC2)CC1 2237299299 DNGFKKUVCTUCGP-IBGZPJMESA-N 273.464 4.638 30 10 CJEE CCCCCCCCCOCc1cccc(C(N)=S)c1 2239452422 FAJSUWLUOLLLEB-UHFFFAOYSA-N 293.476 4.588 30 10 CJEE CCCCCCCCCCCOC[C@H]1CNCC[C@H]1C 2239486081 CBNUVBQLAJNYNX-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CCC[C@@H](C)[C@@H]1C 2240555600 IKIPZUWLEBLWBK-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(CN)N1CC[C@@H](CC)[C@@H]1C 2240562441 LJYQDBDBGHPVHI-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)NCc1cc(C2CC2)no1 2240637935 OEGRFUAADATJJE-AWEZNQCLSA-N 278.440 4.781 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)CN1CCCCC1 2240644706 MGWOQAPCHWOPEU-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=C(C)CCCCC(=O)c1ccccc1Br 2244626240 IEDVCILRHPKGTB-UHFFFAOYSA-N 281.193 4.768 30 10 CJEE C=CCCSc1cc(Cl)sc1CNCCC 2244970326 BQFYCUFZMYNHOX-UHFFFAOYSA-N 275.870 4.569 30 10 CJEE N#C[C@]1(CC[C@@H]2CCCCC23CC3)CCCSC1 2253885386 BESZCDQTYMHRTP-LSDHHAIUSA-N 263.450 4.774 30 10 CJEE C=CCCCCCCCN(C)C[C@@H]1CCC1(C)C 2254895487 XJYZZIGVRYAAAR-INIZCTEOSA-N 251.458 4.881 30 10 CJEE CN[C@@H](C#CC1CCCCC1)c1cc(Cl)sc1C 2260935132 VLKPNNWVTOGMNM-AWEZNQCLSA-N 281.852 4.554 30 10 CJEE Cc1ccc(C(C)C)cc1OCC1(CS)CC(F)C1 2265642470 DASDNGKBNCUZMC-UHFFFAOYSA-N 282.424 4.545 30 10 CJEE C[C@@](C#N)(CC[C@@H]1CCCC12CC2)c1ccccc1 2266597874 UFSMCCUJRRQAHR-IRXDYDNUSA-N 253.389 4.828 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1sccc1CC 2267767455 YTXKSPNTTANYBB-CQSZACIVSA-N 282.449 4.605 30 10 CJEE C=CCCCCCCC[C@@H](O)c1c(C)cccc1N 2268228886 YOBJHCMIJMGPRM-MRXNPFEDSA-N 261.409 4.527 30 10 CJEE CC1CCC(C)([C@H](N)CC=CC#CC(C)(C)C)CC1 2268832644 GNQFRNPNSSJZLH-UPTPFMHGSA-N 261.453 4.526 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](C(C)C)S1 2272261656 UJQMYZDOHQOGQN-LSDHHAIUSA-N 284.513 4.556 30 10 CJEE C=CCC[C@](C)(O)C(=O)CC[C@H](C)CCCC(C)C 2272303422 PIHFAOHWNXAZCE-WBVHZDCISA-N 268.441 4.515 30 10 CJEE CC[C@@H]1CCC[C@H](C(=O)C#CC2CCCCC2)CC1 2273899730 KLAOFOLIRPZKHK-WBVHZDCISA-N 260.421 4.746 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2(CSC)CCC2)C1 2274087190 AUESFFCTLGUUOM-UHFFFAOYSA-N 281.509 4.634 30 10 CJEE C=CCCCC[C@@](C)(CCCCCC)OCC(=O)O 2275920799 DAGPFTMQSSUVGR-INIZCTEOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@H](CCC(C)C)OCCN 2276440303 MVTAMEFJMHWNNZ-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@](C)(CCC(F)F)OCCCN 2276779246 MGZUITOJJNGSDE-OAHLLOKOSA-N 279.415 4.516 30 10 CJEE CCCCCCCCC[C@](C)(N)CC1CCOCC1 2278164866 YPPQDSZDMMTIOU-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(C(F)F)c1C 2283185916 RWEMAPOPCNJPAP-JSGCOSHPSA-N 280.362 4.874 30 10 CJEE CCCN[C@H](CCC=CC#CC(C)(C)C)c1ccco1 2284072394 DRMHJNRORDFWAA-MRXNPFEDSA-N 273.420 4.706 30 10 CJEE CCCN[C@@H]1CCC[C@@H](CC=CC#CC(C)(C)C)[C@H]1C 2284081545 OBYXWAWIAOILLB-KZNAEPCWSA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CCC[C@H]1CCOc2ccccc21 2284097701 AUORPHBTDMMGNX-INIZCTEOSA-N 268.400 4.939 30 10 CJEE C=CCC[C@]1(C)C[C@@H](NCC)c2cc(Cl)c(C)cc2O1 2286477122 CKHAOKNPKCVELA-NVXWUHKLSA-N 293.838 4.806 30 10 CJEE C=CCCCCCCCSC[C@@H]1CC[C@@H](C(=O)OC)C1 2287076021 QEEPBWNOEMITDL-HZPDHXFCSA-N 298.492 4.836 30 10 CJEE CC(C)(C)CC1CC(CN=C2N[C@@H](C(C)(C)C)CS2)C1 2290040152 MUVQGAWQRJLREO-JXQTWKCFSA-N 296.524 4.556 30 10 CJEE CC1(C)CCC(C)(C)[C@H](N[C@H]2CCCCC[C@@H]2C#N)C1 2290326909 HSPXDKYXTIHNKN-OWCLPIDISA-N 276.468 4.653 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H](C)[C@H](C)CC 2290639521 YYOBHUSJKFARAL-INMHGKMJSA-N 286.456 4.889 30 10 CJEE C=CCCC[C@H](OCCC(=O)O)c1ccc(Cl)cc1C 2291771464 NTHWIFPROOOCFC-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE CCCCCCCCC[C@@H](OCCC(=O)O)C(F)(F)F 2291879182 BMYOMUSOHGRKDJ-GFCCVEGCSA-N 298.345 4.549 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cccc(F)c1Cl 2292898172 LGEUZJFXYTVMCQ-HNNXBMFYSA-N 299.817 4.632 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC[C@@H](F)C1)OCCCN 2293033164 MZCJAZIZTZRLNK-GVDBMIGSSA-N 287.463 4.609 30 10 CJEE C=C(C)C[C@]1(OCCCN)CCCCC12CCCCC2 2293064532 WEJGPKRCOQDTQA-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCC[C@](C)(C[C@H]1CC1(F)F)OCCN 2293180968 KRYDUFJWBVBBIQ-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@@](C)(C[C@@H]1C=CCC1)OCCN 2293356974 MNOOWJLHZHNJTK-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCN)CCC[C@H](CC(C)C)C1 2294257681 UXGCGRDBQKMEMZ-AEFFLSMTSA-N 281.484 4.539 30 10 CJEE CC(C)C1CCC([C@H](O)C#Cc2ccccc2Cl)CC1 2295237625 QSCBGQYLVIAETQ-JFUPDXTOSA-N 290.834 4.515 30 10 CJEE CC1(C[C@@]2(C#N)CCCc3ccccc32)CC(F)(F)C1 2295742081 NUOFHOKNXLOECH-MRXNPFEDSA-N 275.342 4.610 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1C[C@@H](CC)C[C@](N)(C#N)C1 2295762813 BOZXPOVASDOOCU-YLFCFFPRSA-N 296.524 4.736 30 10 CJEE CCCCCCSC[C@@](C#N)(NC1CC1)C1CCCC1 2295765790 HECSXPWUBDDCCN-QGZVFWFLSA-N 294.508 4.504 30 10 CJEE C=CC[C@@](C)(O)CCCc1cc(Cl)cc(Cl)c1 2302363889 SKDVPQGTVGTUIM-CQSZACIVSA-N 273.203 4.643 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@@H]1CCC1(F)F 2313779663 PUNUMBBUKDGLGO-UONOGXRCSA-N 262.384 4.923 30 10 CJEE CCCCCCC[S@@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2313810981 RIQQTRIEFAEGKE-IIDMSEBBSA-N 273.486 4.830 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)C1(Cl)CCCC1 2318323165 RKEVNBLOIQZGQR-SNVBAGLBSA-N 283.202 4.564 30 10 CJEE C=CCC(CC=C)S[C@@](CC)(CCCC)C(=O)O 2327201682 OUFLVDBXMHGKIJ-HNNXBMFYSA-N 270.438 4.664 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H]2CCC[C@@H]3C[C@H]23)CC1 2329150240 WASXIKWVKMEUSI-VSZNYVQBSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2CC[C@@H]3C[C@H]23)CC1 2329153344 KBGMKTBDVCKZOE-VSZNYVQBSA-N 261.453 4.537 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]2C2CCCC2)C1 2332783091 UZJBTQANNHGGLT-LEUOFYLZSA-N 262.437 4.988 30 10 CJEE C=CCCCCCC[C@@H](O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2333327765 GZBCWPOAHYHTMI-LXTVHRRPSA-N 272.379 4.555 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CCC[C@@H]2C[C@@H]21 2334657935 LUWKYRXJJQSKFZ-ZJPYXAASSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H]1C[C@@H]2CCCCC[C@@H]2C1 2337106211 GILGYXJXZAUGRC-UYTYNIKBSA-N 261.453 4.680 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(SC)cc1 2337110908 GKJGDFVWYOFBAP-LXZKKBNFSA-N 275.461 4.804 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CC[C@H](CC)C1 2338727031 HHSNTABSGFJCEU-YJBOKZPZSA-N 261.453 4.703 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccccc2C2CC2)C1 2341745621 XGUFOYYLHVNNIU-KSSFIOAISA-N 253.389 4.827 30 10 CJEE C=CCCCC[C@H](NCCC)c1ccc(COC)s1 2342263943 WGFHTPMMDGMBPK-HNNXBMFYSA-N 281.465 4.682 30 10 CJEE C=CCC(C)(C)[C@H](Cc1ccc(F)cc1Cl)NCC 2344343253 CQOBYFBCEZNTLY-HNNXBMFYSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2344476062 JZEHASMHVBIBPX-LBPRGKRZSA-N 292.728 4.995 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)N(C[C@](C)(CS)C(C)(C)C)C1 2352071739 JACXPWRKXZEPTL-BFYDXBDKSA-N 285.541 4.725 30 10 CJEE CSc1cc(N[C@@H](C)C2CCCCC2)ccc1C#N 2353834007 KENLQINAJBRDJK-LBPRGKRZSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](O)[C@@H]1C[C@H]1CCC 2357782317 OWKQLXBHDQOQGM-TVFCKZIOSA-N 283.500 4.512 30 10 CJEE C=CCC(CC=C)S[C@@H](C)[C@@H](NC)c1ccc(F)cc1 2360336675 LZDAHURWNPUSEA-SUMWQHHRSA-N 293.451 4.729 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 19922165 VHFALBMPPDZXHI-LLVKDONJSA-N 290.288 4.750 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccs1 35736859 SQJKIEKFNGULKH-SECBINFHSA-N 296.317 4.812 30 10 CJEE N#Cc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 37203219 ZVENVZFDAUEAEN-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccccc1Cl 37936088 FYCGWLJDXMHZIE-AWEZNQCLSA-N 277.154 4.670 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccccc1OC 59089745 GDEIJAYMFMAZQC-OAHLLOKOSA-N 263.425 4.534 30 10 CJEE Cc1ccccc1CSc1ccc(C#N)c(Cl)c1 61855681 BDKJQIUYEVNKAJ-UHFFFAOYSA-N 273.788 4.812 30 10 CJEE CC/C(=N/O)c1ccc(O[C@H]2CCC[C@H](CC)C2)cc1 71150037 KXDSFWKJGZALMA-JUNUNPIGSA-N 275.392 4.623 30 10 CJEE CC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 79343399 UXTWUXJRKOKUDH-LBPRGKRZSA-N 296.336 4.594 30 10 CJEE C[C@H](CCS)CCOc1ccc(Cl)c(Cl)c1 87081766 IDYUXTCXULQSRF-VIFPVBQESA-N 279.232 4.718 30 10 CJEE CC(C)n1ccc(CC2(C#N)CCC(C(C)(C)C)CC2)n1 87971909 PUPHTNVORHLBLB-UHFFFAOYSA-N 287.451 4.753 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CCCc2sccc21 97419503 JHOVMBBMRXXOSN-HOCLYGCPSA-N 277.477 4.893 30 10 CJEE CCCCCCCOc1ccccc1CN[C@@H](C)CC 100128673 UHPILRCZKGGHAR-INIZCTEOSA-N 277.452 4.924 30 10 CJEE CCCCCCCCCn1c(=O)sc2ccccc21 101081357 XNGNXZPBBVFDCO-UHFFFAOYSA-N 277.433 4.814 30 10 CJEE Cc1ccc(N(C)c2cc(Cl)ccc2C#N)c(C)c1 104018942 HQZCSQRPEZBRJT-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CCCCCCCN[C@H](c1ccccc1)c1ccco1 104456489 ORCCXHAUEDVILX-GOSISDBHSA-N 271.404 4.929 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H](CNC)C1 109687806 ZQDCFQDXPJUOPZ-LJQANCHMSA-N 296.543 4.839 30 10 CJEE CCCCCCCCOc1nc2ccc(N)cc2s1 109978666 RUWNFZYYWCGMJW-UHFFFAOYSA-N 278.421 4.618 30 10 CJEE Cc1cc(C)cc(Oc2ccc(C#N)c(Cl)c2)c1 110260979 ZINYSXIDQWPZLK-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCCC[C@]1(O)CCCN(C(C)C)CC1 115654812 JTXZNPCCUZSLNF-SFHVURJKSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCn1cc(C=O)c2cccnc21 117611912 BOQFLDJKERCCGY-UHFFFAOYSA-N 272.392 4.599 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)c1ccncc1 117684005 OMPYNYGFYRTOSQ-WMZOPIPTSA-N 276.468 4.914 30 10 CJEE CCCCCCC[C@H](NC)c1c(F)cccc1F 118713008 JVXFDDPWOLNONY-AWEZNQCLSA-N 255.352 4.586 30 10 CJEE N#Cc1c(F)cccc1-c1ccc(SC(F)F)cc1 122156914 KJBZLMABDWCLOO-UHFFFAOYSA-N 279.286 4.679 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cc(C)c(C)s1 125633441 OFSRJXVQRLKZEF-CQSZACIVSA-N 251.439 4.762 30 10 CJEE CCCCCCCC[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)O 126120583 YBCUNVQEUZSLAC-ZNMIVQPWSA-N 254.414 4.874 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](OCC)C(C)(C)C 131700730 RHCJHFISAJHWPB-JKSUJKDBSA-N 271.489 4.776 30 10 CJEE CCCCCCCOC[C@H](NC)c1cc(C)cc(C)c1 133090351 IYZZMOBBQFDULY-SFHVURJKSA-N 277.452 4.551 30 10 CJEE Cc1ccc(C)c(-n2nc(C3CCCC3)c(C#N)c2Cl)c1 134263117 VHUVDQFLGLKWLN-UHFFFAOYSA-N 299.805 4.672 30 10 CJEE C=C(CNc1ccc(C)cc1Cl)c1ccccc1 134357862 NMHLMAGFIFYOTB-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE CC(C)c1ccc(Nc2ccc(C#N)c(F)c2)cc1 135232657 HGZFLSWVPVFRST-UHFFFAOYSA-N 254.308 4.564 30 10 CJEE CSc1cccc(N2CCCc3cc(C)ccc32)c1C#N 136615931 DMLCZHDJJQUDLW-UHFFFAOYSA-N 294.423 4.673 30 10 CJEE CSc1cccc(N[C@@H](C)CCC(C)C)c1C#N 136668062 XUUHQASGEPIDSR-LBPRGKRZSA-N 262.422 4.517 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cccc(SC)c2C#N)C1 136719192 HPHBXNBGIHYZAR-OLZOCXBDSA-N 275.417 4.628 30 10 CJEE CCCCCCCCCCCCOC(=O)CCCCN 137256466 YHAKPTXVGVQFLH-UHFFFAOYSA-N 285.472 4.580 30 10 CJEE CCCc1c(-c2sccc2Cl)sc(C#N)c1N 163120156 DPVUPZYQIZQRHN-UHFFFAOYSA-N 282.821 4.536 30 10 CJEE Cc1cc(C#N)ccc1CNCC1(CC(C)C)CCCC1 165348516 IAWYQFAFWPYKTF-UHFFFAOYSA-N 284.447 4.563 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1CCOC1)NCCC 166451470 QVAOMTPJZQIYKQ-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(OC(F)F)c1 167723421 UXFFMSKVTWWTLW-HNNXBMFYSA-N 283.362 4.685 30 10 CJEE CCCCCCCCCCNc1ncc([N+](=O)[O-])s1 226774740 HKTVBYMIIYXCBX-UHFFFAOYSA-N 285.413 4.604 30 10 CJEE Cc1ccc(S[C@@H]2C[C@H](C)CC[C@H]2C#N)cc1C 227051083 IBYWCFRSNLCZOH-DIOULYMOSA-N 259.418 4.724 30 10 CJEE CCCCCCCCC[C@H](N)C1[C@@H]2CCCC[C@@H]12 228992611 FFKHJNCLXHNGBH-OAGGEKHMSA-N 251.458 4.891 30 10 CJEE CCCCCCC[C@@H](O)c1cccc2ccncc12 232043181 HLCROUYYMIHSOQ-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE C=CCCCCCNc1cccc(Br)c1 232481069 CIWJJHKIPBBAMC-UHFFFAOYSA-N 268.198 4.607 30 10 CJEE CCCCCCCCCCCC[C@@H](O)[C@H](O)CCC 232947387 BVNUOGZTGDWISY-IAGOWNOFSA-N 272.473 4.819 30 10 CJEE Cc1cc(C)c(C)c(OCCCCC(C)(C)C#N)c1 235750624 OBFBXZHXXKTJJU-UHFFFAOYSA-N 259.393 4.711 30 10 CJEE Cc1nc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)oc1C 235966046 QZKVEKXBTRMUEV-MGPQQGTHSA-N 292.448 4.738 30 10 CJEE C=CC[C@H]1CCCCCCCN1C(=O)OC(C)(C)C 238156838 PRTGWYOPJVTLOF-AWEZNQCLSA-N 267.413 4.522 30 10 CJEE CN(C[C@H]1C[C@H]2CC[C@H]1C2)CC1(CS)CCCCCC1 250369574 GVUZROJPPJCGRT-YESZJQIVSA-N 295.536 4.625 30 10 CJEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](C#N)c1ccccc1 251510304 IDHSOEUEUZZCMB-HOCLYGCPSA-N 298.817 4.640 30 10 CJEE Cc1cccc(C(F)(F)F)c1C1(C#N)CCCCC1 260058370 DDZAVEFEAPMXHV-UHFFFAOYSA-N 267.294 4.739 30 10 CJEE Cc1cc(CCCC#N)cc(F)c1OCc1ccccc1 260432644 UBSYMHKULXXQRP-UHFFFAOYSA-N 283.346 4.559 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1ccc(C#N)cc1Cl 308731506 UCYMIEPCUVTMAK-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@]1(C#N)CCc2ccccc21 311372883 JQIWIKJUSOUDSK-QGPMSJSTSA-N 253.389 4.611 30 10 CJEE CCC1CCC(C#N)(C[C@@H]2Cc3ccccc32)CC1 311623027 TVTOGHMGMIMFHK-HQVVEAJESA-N 253.389 4.827 30 10 CJEE CCCCCCCCC[C@H]1CC[C@@H](CNCC(C)C)O1 312698851 PAQBZILCDMFORV-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](O)c1cnccc1OCC 313704409 STXIBKFDXQNCFB-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE C=C([C@H](NCCC)c1ccc(SC)cc1)C(F)(F)F 382283833 HKLFXKXXDZAXFL-ZDUSSCGKSA-N 289.366 4.568 30 10 CJEE C[C@H]1CCC[C@]1(C#N)Cc1cccc(C(F)(F)F)c1 384855262 LSGWZSTZFVWMPR-SMDDNHRTSA-N 267.294 4.578 30 10 CJEE C=CCCCCCCNc1cc(Cl)ccc1C#N 385287874 VOZBMTANLYSTAI-UHFFFAOYSA-N 262.784 4.760 30 10 CJEE Cc1ccc(Cl)c(NC[C@@H](C#N)C2CCCCC2)c1 397162433 WTMQTFPZIOYFQO-CQSZACIVSA-N 276.811 4.780 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cncnc1C 398407911 BJJGOIRWMOLNEO-KRWDZBQOSA-N 277.456 4.576 30 10 CJEE C=C(C)CCO[C@H]1CCCCCCCCCC[C@@H]1O 402309773 JQFIZTVJCKZVJF-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)c1ccccc1 405687640 MCGORQNDOXBOJO-FUHWJXTLSA-N 276.468 4.763 30 10 CJEE CC(C)Oc1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 453304729 HNIKUQOFCCAEOR-CYBMUJFWSA-N 298.361 4.658 30 10 CJEE C=C(C)CCSCc1ncc(-c2ccccc2)o1 507115009 BZOQPWVKQACMQC-UHFFFAOYSA-N 259.374 4.541 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCCC[C@H]1C(C)C 691090990 STHCBNDFNRYXDQ-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1cc(F)c(Cl)cc1N 692252859 OZPOPAONEFGDJQ-IINYFYTJSA-N 282.790 4.608 30 10 CJEE CCC(CC)(CS)CN(C)[C@@H]1CCC12CCCCC2 694229089 PFTCNENJKWXPGA-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCCC(=O)N(C)C(C)(C)C#N 694571623 XKZZIWYASDGFIM-UHFFFAOYSA-N 280.456 4.668 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H](C)CC2CCCCC2)N1 694631910 WCNPWQPDRLEYIW-CZUORRHYSA-N 282.497 4.597 30 10 CJEE CCC(C)(C)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 695154462 VSMANWGSOGSOLQ-JTQLQIEISA-N 284.325 4.814 30 10 CJEE CCCCCCCCC[C@@H](N)CC1(CSC)CC1 696023648 ORCQWQGBPMWWHH-OAHLLOKOSA-N 271.514 4.988 30 10 CJEE C=CCCC(C)(C)CN[C@H](CCC(C)C)C1CC1 703949258 UNKVVKBFCHJRRJ-MRXNPFEDSA-N 251.458 4.783 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Cl)cc1 704021232 DKEAFUNWWVRKKZ-CYBMUJFWSA-N 265.828 4.983 30 10 CJEE CCCCCCCC[C@](C)(N)c1cccc(F)c1F 704436018 MMUJHVCPBPIAFD-INIZCTEOSA-N 269.379 4.889 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cc2cscc2s1 710695141 FQAHNYVDCZUTRS-SNVBAGLBSA-N 271.838 4.756 30 10 CJEE N#C[C@]1(CC[C@H]2C[C@H]2C2CC2)CCc2ccccc2C1 714891287 AVFFGCRIBVNQNX-WDSOQIARSA-N 265.400 4.512 30 10 CJEE C[C@H]1CC([C@@H](C#N)c2cc(F)cc(F)c2)C[C@H](C)C1 719377033 MAZWVGWCODDGRD-GLKRBJQHSA-N 263.331 4.644 30 10 CJEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCCC[C@H]1C 719632928 IIWOGQPALWXBNS-SCTDSRPQSA-N 285.431 4.949 30 10 CJEE C=C(C)CN(CC)c1ccc(CNC(C)(C)C)c(Cl)c1 723168996 OVQFWCSLRKDLLV-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCCC[C@H](CC)CC1(C#N)C[C@@H](C)O[C@H](C)C1 724270216 FSWPGQZARODMKF-KFWWJZLASA-N 251.414 4.690 30 10 CJEE C[C@H](/N=C1/N[C@@H](C2CCCC2)CCS1)C1CCCCC1 725079484 BTEAWXRINGRUST-XJKSGUPXSA-N 294.508 4.597 30 10 CJEE C=C[C@@H](CC)CC(=O)NCC1(c2ccccc2)CCCCC1 1124706232 SRBJVVOBVIGLJV-KRWDZBQOSA-N 299.458 4.607 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](CC)c1cc(C)ccc1OC 1127448767 ZSMYJLPBMBMWHN-HOCLYGCPSA-N 290.403 4.600 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 1134137125 XKVHBOKMHIUZIR-UHFFFAOYSA-N 299.345 4.769 30 10 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C=CCCCCCCNC(=O)[C@H](C)c1ccc(CC)cc1 1532060248 CIDPGGLELGGDNA-MRXNPFEDSA-N 287.447 4.605 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccsc1)c1ccccc1 1537027151 SKYFEMLTKQYKFG-MRXNPFEDSA-N 285.412 4.576 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H]1CCc2cccc3cccc1c23 1538236394 YEMONJKEKFXEMB-FXAWDEMLSA-N 293.410 4.546 30 10 CJEE C=CCn1c(S[C@H](C)[C@@H](C)CC)nc2ccccc21 1559316719 YJQWXXMPKAARTM-QWHCGFSZSA-N 274.433 4.749 30 10 CJEE C=CCCC[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccccc1 1560109167 VFLUUDMFFFLNJW-QZTJIDSGSA-N 287.447 4.631 30 10 CJEE C#CCN(Cc1csc(C)c1)[C@H]1CCCc2ccccc21 1560171668 BHYAMDDVDJGKGI-IBGZPJMESA-N 295.451 4.569 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 1560462618 QETDLBUWDUCOEE-SKDZVZGDSA-N 273.395 4.538 30 10 CJEE C#Cc1ccc(NCc2ccc(OCCCCC)cc2)cc1 1560614499 NCXWFJHCKZMSPU-UHFFFAOYSA-N 293.410 4.849 30 10 CJEE C=CC[C@H]1CCCN(C(=O)Nc2cccc(C(C)C)c2)C1 1562100483 AGQGUMVMZMGATR-HNNXBMFYSA-N 286.419 4.630 30 10 CJEE C=CCC[C@@H](NC(=O)c1cc(C)cc(C)c1)c1ccccc1 1583038625 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DOVIVENFUNGWCH-HNNXBMFYSA-N 290.288 4.691 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)C1CCCC1 41328440 DJAASYVBOCKROT-INIZCTEOSA-N 257.377 4.616 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)c1cc2ccccc2s1 48855669 XAIYZNUROIWRBN-OAHLLOKOSA-N 291.375 4.700 30 10 CJEE N#CC[C@H](Nc1cccc2c1CCCC2)c1ccccc1 55015131 YYAXGYXTQWZUQK-SFHVURJKSA-N 276.383 4.632 30 10 CJEE C[C@H](c1ccccc1)[C@H](C#N)c1cccc(Cl)c1 57746217 MBZXMYUMOCBYED-WBMJQRKESA-N 255.748 4.751 30 10 CJEE CCCc1nc(CSC2CCCCC2)sc1C#N 82427847 LFQNPWMYIONJQC-UHFFFAOYSA-N 280.462 4.533 30 10 CJEE CC(C)SCc1nc(C(C)(C)C)c(CS)s1 82439738 FVHVZRQEPHMWQF-UHFFFAOYSA-N 275.508 4.512 30 10 CJEE COc1c(C(=O)/C=C/c2ccco2)cc(C)cc1C(C)(C)C 83193992 OPODXRHPFQHRCU-CMDGGOBGSA-N 298.382 4.790 30 10 CJEE CCC[C@@H](CS)CSc1cc(C)ccc1C 87096182 HCBOPKHFRXAXFA-ZDUSSCGKSA-N 254.464 4.742 30 10 CJEE CCc1ccc(OC[C@H](CC)CS)c(C(C)(C)C)c1 94582380 IAGVRSNGVXGVSB-AWEZNQCLSA-N 280.477 4.881 30 10 CJEE CCCc1ccc(OCC2(CS)CCCC2)cc1 94585133 OWUTZPDYLGWZNA-UHFFFAOYSA-N 264.434 4.508 30 10 CJEE C=C(CC)C[C@@H](Cc1ccc(Cl)cc1)NCCC 97208471 WGEYTPBNDIEPIC-INIZCTEOSA-N 265.828 4.607 30 10 CJEE CCCCCCC[C@@H](NC)c1nc(CC)c(C)s1 104440060 VYHSRGTWPLOSBL-CQSZACIVSA-N 268.470 4.635 30 10 CJEE CCCCCCCCCn1cc(CO)c2ccccc21 106612556 NBKTYZQIVXQKJL-UHFFFAOYSA-N 273.420 4.884 30 10 CJEE CCCCCCCCCCOc1ccccc1C#CCO 109750465 FNPXFSOEGUXXKL-UHFFFAOYSA-N 288.431 4.550 30 10 CJEE CC(C)c1ccc([C@H](C)Nc2ccc(F)c(C#N)c2)cc1 109947788 SBAFKVCJKPPEDD-ZDUSSCGKSA-N 282.362 4.994 30 10 CJEE CCCCCCCCOCc1cc(CNCC)oc1C 110171189 MRTJXWQOKOJHNG-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)c1ccn(C)n1 115689273 OILOIBNLURSYMX-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CCCCCCCO[C@H]1C[C@H](NC)C12CCCCCC2 117340161 DZDKHGCWVZNPJE-IRXDYDNUSA-N 281.484 4.674 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1N 125185189 NZTJLPNMRZBDQT-UHFFFAOYSA-N 255.789 4.662 30 10 CJEE Cc1cc([C@@H](C)Nc2cc(C#N)ccc2Cl)c(C)o1 125727901 VOVAPGGZHAEDQG-SNVBAGLBSA-N 274.751 4.595 30 10 CJEE CCCCCCCCCC[C@@H](Cc1ccccc1C)NN 125830668 WOMUAEYBGBJHFR-IBGZPJMESA-N 290.495 4.900 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1ncc[nH]1 126783350 XOEPPIULCDOMLW-HNNXBMFYSA-N 266.429 4.754 30 10 CJEE CCCCCCCCCC(=O)N(C)c1ccccc1C#N 128655524 DXMGZRCZMCLXNW-UHFFFAOYSA-N 286.419 4.662 30 10 CJEE CC(C)CCN(c1ccc(C(F)(F)F)c(C#N)c1)C1CC1 128774482 LWSSPHPJCRGTDK-UHFFFAOYSA-N 296.336 4.592 30 10 CJEE CCCCCCCOc1c(F)cc(CNCCC)cc1F 147402070 MOTFOVUIUURDDN-UHFFFAOYSA-N 299.405 4.814 30 10 CJEE CCCCCCCCC[C@H](N)c1cc(OC)cc(OC)c1 157945416 LKKHEQXQVLHAAH-SFHVURJKSA-N 293.451 4.844 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)ccc(C)c1F 158181537 YLALAEHKWSHJEY-CQSZACIVSA-N 269.379 4.894 30 10 CJEE CCCCCCCC[C@@H](NC)C1(OCC)CCCC1 164747299 COGYPROOATUTPD-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cccc(Cl)c1F 166859806 IGAJLDLUDNWHQU-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE N#C[C@H]1CC1(Sc1ccccc1)Sc1ccccc1 196636896 HEZGCPFYEJNUAO-CYBMUJFWSA-N 283.421 4.811 30 10 CJEE C=CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCCC 219704440 CTBXTDLILRWKGM-OAGGEKHMSA-N 251.458 4.641 30 10 CJEE CCCCCN(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 222344834 WPXNOVGHLQDBTN-IXDOHACOSA-N 278.484 4.853 30 10 CJEE CCC[C@@H]1CCCN([C@@H]2C[C@@H](CC)CC[C@@H]2C#N)CC1 226983485 QXOUDLOGZAQQTM-BSDSXHPESA-N 276.468 4.607 30 10 CJEE CCCCCCCCCCCC(=O)Nc1[nH]ncc1CC 228370513 RJPSIGFKSZGLBT-UHFFFAOYSA-N 293.455 4.832 30 10 CJEE Cc1ccc(F)cc1OCC1(CS)CCCCCC1 230681018 HZFQGPLIKDIKAG-UHFFFAOYSA-N 282.424 4.783 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2)c(F)c1 232039649 LJCVWVXIWXEIDO-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(C)cc1OC 232955210 YPPMYFNKHINWHC-MRXNPFEDSA-N 263.425 4.754 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(F)cc(F)c1 233607623 ULKRAHMKNJHTLL-MRXNPFEDSA-N 267.363 4.752 30 10 CJEE Cc1ccc(CNc2ccc(C#N)c3ccccc23)s1 235980030 UCJYFLHPOYTHIQ-UHFFFAOYSA-N 278.380 4.694 30 10 CJEE C=CCCCCC[C@H](O)C1(c2ccccc2)CCCC1 236534356 AZCXMNCYGBYPEY-SFHVURJKSA-N 272.432 4.996 30 10 CJEE CCC[C@H](N[C@@H]1CCCCC[C@H]1C#N)c1cccs1 251129636 JLCGAJWAHWXYRQ-ZNMIVQPWSA-N 276.449 4.651 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1C)c1ccc(Cl)cc1Cl 251133719 YSVLEZVUODVYRX-JRKPZEMJSA-N 259.176 4.664 30 10 CJEE Cc1cc(C#N)cc(NCC2CCCCCCC2)c1 308109710 SYEDAMUZKRSWAI-UHFFFAOYSA-N 256.393 4.639 30 10 CJEE C=C(CC)C[C@H](O)c1ccccc1OCc1ccccc1 309951430 GKIVAGHRSLSVSH-SFHVURJKSA-N 282.383 4.655 30 10 CJEE Cc1nc(Sc2cc(Cl)cc(Cl)c2)ccc1C#N 310849980 ALRRSMPEURQUFP-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE Cc1nccc(C2(C#N)CCC(C(C)C)CC2)c1Cl 312105467 JVRZKUDYGNILSF-UHFFFAOYSA-N 276.811 4.651 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1)C(CCC)CCC 315001800 UYPOJTVDDSLUIM-IBGZPJMESA-N 271.448 4.623 30 10 CJEE O=CC1(Cc2ccc(Cl)s2)CCCCCCC1 316775809 UWZWZKNPGRYHKV-UHFFFAOYSA-N 270.825 4.874 30 10 CJEE CCO[C@H]1C[C@@H](C2(C#N)CCC(C(C)C)CC2)C1(C)C 381019438 BNHLPVUZNKGEAM-NDUQDZPOSA-N 277.452 4.794 30 10 CJEE Cc1cc([C@@]2(C#N)CCCC[C@@H]2C)nc2ccccc12 384885413 RZXHWVQRTHJOFQ-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE C=CCSc1ccccc1NC[C@@H]1CCCSC1 385383248 URMJUDTWFPWKSS-ZDUSSCGKSA-N 279.474 4.520 30 10 CJEE C1CCC(CC/N=C2/N[C@H](C3CCCCC3)CS2)CC1 386103485 IQOKIVWMZFPIEI-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=C(C)CCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 386951783 XQJDRDRCASAHCV-RYQLBKOJSA-N 257.421 4.515 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2sccc2Cl)CC1 394080261 HPWYVYSBVJCXBZ-IWXRYERYSA-N 283.824 4.545 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@]2(C#N)CCCC[C@H]2C)C1 395058785 YTGIXRGLZMOYPS-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE C=C(C)CC[C@H](NCC)c1ccc2sccc2c1 395341375 YGROIQOKIQTUHY-HNNXBMFYSA-N 259.418 4.908 30 10 CJEE C=CCC(C)(C)COCCC(CC)(CC)CNCCC 395800725 FVZYSHFUWJAJSE-UHFFFAOYSA-N 283.500 4.801 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 398054235 CPOHFUVESLOGLX-QWHCGFSZSA-N 283.362 4.683 30 10 CJEE CC[C@@H](CC(F)(F)F)C[C@]1(C#N)C[C@H]2CC[C@H]1C2 402272928 GXKRKZGAHGYQKX-MROQNXINSA-N 259.315 4.685 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CCc1ccccc1 466264670 FQAALCHVUFTADT-PKOBYXMFSA-N 299.458 4.603 30 10 CJEE C=CCOc1ccc(CN(C)[C@@H](C)c2cccs2)cc1 507442284 REECITIURSHAIQ-AWEZNQCLSA-N 287.428 4.506 30 10 CJEE Cc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1C 512659393 GLYWSARMPSDJPP-GJZGRUSLSA-N 296.389 4.726 30 10 CJEE N#CCc1cc(Cl)nc(-c2cccc(Cl)c2Cl)c1 514262895 ZCLDJHZCTZWKRU-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C=CCCCNC(=O)N(CCCC)[C@H](C)c1ccccc1 564408509 VVXBHGBPFPMVSP-MRXNPFEDSA-N 288.435 4.526 30 10 CJEE Cc1cc(C(F)F)c(OC(F)F)cc1C(F)(F)F 575666798 ZLRZWEMRBSMSHC-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1 686676002 LWWUMIWZYOJDFY-SJLPKXTDSA-N 264.453 4.928 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCCSCC1 690579484 SJYSSFWCBPJFHB-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(Cl)c1C#N 692227594 QPTIDZICYHJGRS-DOMZBBRYSA-N 274.795 4.758 30 10 CJEE C[C@@H](C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C1CCC1 692701596 JKSKLJIHEAEKOX-KOLCDFICSA-N 296.197 4.606 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC(C)(C)CC(F)(F)F)C1 694127598 NYVHQBFWYWAYFH-YPMHNXCESA-N 264.331 4.751 30 10 CJEE C[C@H](CC(C)(C)C#N)Oc1ccc(Cl)c2cccnc12 695861973 COGDSTJPTVMSOV-LLVKDONJSA-N 288.778 4.595 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)CNCC 696316112 CLEMGCUGBHUDLP-ROUUACIJSA-N 285.516 4.904 30 10 CJEE CCCCCCC[C@H](CN)N(C)[C@H]1CCC[C@H](C)CC1 697824370 GYVSKBGVTOKNCO-OKZBNKHCSA-N 282.516 4.575 30 10 CJEE CCN(Cc1ccc(C)cc1)c1ccc(C#N)cc1Cl 699486458 UIGAVDWDEIMIGM-UHFFFAOYSA-N 284.790 4.547 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](C)Oc1ccccc1 700667714 YCZOBAZNFXUMAF-FUHWJXTLSA-N 275.436 4.569 30 10 CJEE CC[C@H](OCc1ccc(C)c(C#N)c1)c1ccccc1 701870819 UYGBNIAWIMXAMX-SFHVURJKSA-N 265.356 4.535 30 10 CJEE CCCCCCCC[C@@H](NCCC)C1CC(OC)C1 703431724 SQLLWFUUXSAHBN-OFLPRAFFSA-N 269.473 4.530 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1c(F)ccc(F)c1Cl 705541312 CZSYTAPSGTWYPQ-NHYWBVRUSA-N 299.792 4.843 30 10 CJEE CCc1ccc(CC)c(Nc2cccc(F)c2C#N)c1 709723500 GGUPDOIPFNPOQL-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE C#CCCCCC[C@@H](NCCC)C12CCC(CC1)CC2 710119009 VTQDRXFTZPQNSF-JLAWEPINSA-N 275.480 4.909 30 10 CJEE C=C(C)[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712548376 ALQBXKOHXVUNMH-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](C(C)(C)O)C1 719640864 WWJBWOAOCZYNJL-QGZVFWFLSA-N 283.500 4.610 30 10 CJEE C=C(Cl)Cn1ccc2cc(OCc3ccccc3)ccc21 720904371 HGAIRUXYTVYIEE-UHFFFAOYSA-N 297.785 4.973 30 10 CJEE CCCCCCCC[C@H](C[C@H](COC)C(C)C)NC 721723067 FJJKPEMEXDZBQP-IAGOWNOFSA-N 271.489 4.634 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccccc2)NCCC)CC1 724550585 SYYVKSADDQRCFH-LJQANCHMSA-N 271.448 4.734 30 10 CJEE C=C1CCC(C[C@H](NN)c2csc3ccccc23)CC1 724589348 FDUFRWSDKHNNFE-INIZCTEOSA-N 286.444 4.542 30 10 CJEE C=C1CCC(C[C@@H](NCC)[C@H](C)CCCC)CC1 724616840 NUBUFBOPYYNZLT-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE N#CCc1cc2cc(C(F)F)cc(OC(F)F)c2s1 725293833 VTEXJRXCPGZQLA-UHFFFAOYSA-N 289.253 4.506 30 10 CJEE C=CCCC(C)(C)OC(=O)c1coc(C2CCCCC2)n1 802175679 GDZHCPCBTSSJTN-UHFFFAOYSA-N 291.391 4.624 30 10 CJEE Cc1ccc(/C(=N/OCCCc2ccccc2)C2CC2)cc1 821226635 ISJIAPNVASWMSQ-MRCUWXFGSA-N 293.410 4.759 30 10 CJEE C=CCCC[C@@H](NCc1scnc1C)c1ccccc1 880388854 AUFIDZMVNGNKRL-MRXNPFEDSA-N 286.444 4.639 30 10 CJEE C=C[C@](C)(CC)C(=O)NC1CCC(C)(c2ccccc2)CC1 1127070448 ANNCUTMPFIUUDX-SKINQDTJSA-N 299.458 4.605 30 10 CJEE C=C[C@@H](OC(=O)[C@H](C)c1ccc(CC)cc1)c1ccccc1 1130934089 CTMMXXOMACJTPV-DNVCBOLYSA-N 294.394 4.823 30 10 CJEE C=CCCCC[C@@H](C)Nc1ccc([C@@H]2CCOC2)cc1 1182061461 FPZYQFFATYDACK-NVXWUHKLSA-N 273.420 4.737 30 10 CJEE C=CCCCCCN(C)c1nc2cccc(F)c2s1 1185459131 CHXJTZMRSCZSBL-UHFFFAOYSA-N 278.396 4.618 30 10 CJEE C=CC[C@H]1CCCN(C[C@H](c2ccccc2)C(C)C)C1 1206598878 XMBCKSJJPNYMKI-HKUYNNGSSA-N 271.448 4.714 30 10 CJEE C=C1CCC(C(=O)O[C@H]2CCc3cc(Cl)ccc32)CC1 1267286452 GAPJRWRQWIRXRC-INIZCTEOSA-N 290.790 4.617 30 10 CJEE C=C1CCC(C(=O)NC2CCC(CC)(CC)CC2)CC1 1271102408 RGFFKBJZJKFWDA-UHFFFAOYSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)N[C@@H](C2CCCCC2)C2CCC2)CCC1 1277137692 NUBSGQZYZKZAED-KRWDZBQOSA-N 289.463 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 1289567093 MHDKWQXRTCEDOW-JLHYYAGUSA-N 257.377 4.651 30 10 CJEE C=CCN(C(=O)c1csc(C2CCCCC2)c1)C(C)C 1353178024 PYLWDNSPOPBAHB-UHFFFAOYSA-N 291.460 4.832 30 10 CJEE C=C[C@@H](CC)CC(=O)N(c1ccccc1)C1CCCCC1 1355832265 YXXOWQVPADLPHM-INIZCTEOSA-N 285.431 4.955 30 10 CJEE C=CC1(CC(=O)Oc2cccc(C3CC3)c2)CCCCC1 1436934979 YSGPNBBKAYYFMI-UHFFFAOYSA-N 284.399 4.996 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 1458134249 LBIBTVUKPJAOMV-QGZVFWFLSA-N 299.801 4.777 30 10 CJEE C=C(C)CCN(CCc1ccccc1)CCC(C)(C)C 1460693490 LTUQDMCLPSIKCM-UHFFFAOYSA-N 273.464 4.934 30 10 CJEE C=CCC1(C(=O)N2C[C@H](C)c3ccccc32)CCCCC1 1461035059 FSWKEDSBQOLLTB-HNNXBMFYSA-N 283.415 4.663 30 10 CJEE CCCCCCC[C@@H](C)NC1CC2(C1)CC2(F)F 1462412928 HBBXDHOWONNZKX-IYXRBSQSSA-N 259.384 4.513 30 10 CJEE C=C(Cl)CN1c2ccccc2CC[C@@H]1Cc1ccccc1 1473870217 IUTVWBGQZIQDKP-GOSISDBHSA-N 297.829 4.803 30 10 CJEE C=CCCCCCCCNC1C[C@H](C)C[C@@H](C)C1 1474168182 RRHHROGSQSPGGU-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](CC)N[C@H](c1ccc(OC)cc1)C1CCC1 1474735992 CTRHMNSZLYAXGU-MJGOQNOKSA-N 287.447 4.871 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1cc2ccccc2o1 1517044429 DBTXRCAXNAMYNP-QWHCGFSZSA-N 272.344 4.639 30 10 CJEE C=C[C@H](CC(=O)N[C@@H](CCC)C(C)(C)C)c1ccccc1 1521835192 ULATWMDUSZZQJU-WBVHZDCISA-N 287.447 4.677 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)cc2C)CCCCC1 1530090232 RGIVCKSDVKAIKS-UHFFFAOYSA-N 271.404 4.769 30 10 CJEE C=CCCCCC[C@@H](C)N[C@H]1CCOc2c(F)cccc21 1560757696 SHKRKNIKHNCZOH-PBHICJAKSA-N 291.410 4.764 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@H](CC)CC1CCCCC1 1583715039 HLSWSBMFIIHSMS-MRXNPFEDSA-N 279.468 4.702 30 10 CJEE C=C(C)CN1CCC(CC)(c2ccc(Cl)cc2)CC1 1617719805 LTXHDICJBROHGV-UHFFFAOYSA-N 277.839 4.660 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(Nc2ccccc2)c1 1627173744 UBKBIRSBGLNPKP-UHFFFAOYSA-N 294.398 4.971 30 10 CJEE C=CCCCCN1CCCC[C@H]1c1nc2ccccc2o1 1642038430 YOCCSRHKUYAGRF-INIZCTEOSA-N 284.403 4.711 30 10 CJEE C#Cc1ccc(CN2CCCc3cc(C(C)C)ccc32)cc1 1652150373 NUGHYGZCOIBSSJ-UHFFFAOYSA-N 289.422 4.744 30 10 CJEE 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CCCCCCC[C@](C)(N)c1ccc2ncsc2c1 2278436185 RJEIMBLRZYZEHD-INIZCTEOSA-N 276.449 4.831 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCC1(C)CC(C(F)(F)F)C1 2279381756 KIBYWSHFWSGQDL-LQULJDIASA-N 289.385 4.690 30 10 CJEE CCN[C@@H](CC#C[Si](C)(C)C)C[C@H]1CCCCC12CC2 2279555849 VIOMNANMSBTXOW-SJORKVTESA-N 291.555 4.596 30 10 CJEE CC1=CCC[C@@H](CCC23CC4CC(CC(C4)C2)C3)C1=O 2279919519 WDUMGGHBMFAAOH-WCWCZOKXSA-N 272.432 4.908 30 10 CJEE CCCCCCCCN(C)c1ccc([C@H](C)N)c(C)c1 2285141298 TZFRKKGOPDCCIU-INIZCTEOSA-N 276.468 4.811 30 10 CJEE CC1(C)CC[C@]1(C=O)CCCCCCCCCCCO 2286817333 GHDOLJPUAMWGCB-SFHVURJKSA-N 282.468 4.885 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@H](C)[C@@](N)(C#N)C1 2287093341 DAAKTPARDAIRNM-BBWFWOEESA-N 294.508 4.656 30 10 CJEE CCSc1cccc(O[C@H]2CCCC23CCC3)c1C#N 2287612307 FBUOQFLMZGDYNU-INIZCTEOSA-N 287.428 4.772 30 10 CJEE CCC[C@@H](CC)CNc1ccc(C#N)c(C(F)(F)F)c1 2287679859 YTMAOSLNSCKXEW-LLVKDONJSA-N 284.325 4.815 30 10 CJEE CCN[C@H](C#CC1CCCCC1)[C@@H]1CC(C)=C[C@@H](C)C1 2289615911 BZYHSLYSWADKBF-AYOQOUSVSA-N 273.464 4.541 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC[C@@H]1CC1(C)C 2289694695 XRSXUBJYTISXHL-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE CCCN[C@@H]1C[C@H](CC#CC2CCCC2)CCC1(C)C 2289884554 XNOFRRPWXVOSGA-QZTJIDSGSA-N 275.480 4.765 30 10 CJEE C=CCCCCC[C@](C)(CC1CCCC1)OCC(=O)O 2291449486 MBZPKWOCEDDAKA-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@H](OCC(=O)O)[C@H](C)C(C)C 2291703985 RESJQUCPTJKVJW-CVEARBPZSA-N 286.456 4.889 30 10 CJEE C=C(C)CCCC[C@H](OCC(=O)O)c1cccc(Cl)c1 2291752804 JMJAACKBBCWPEM-HNNXBMFYSA-N 296.794 4.619 30 10 CJEE CCCCCCCC[C@H](OCCN)c1cncc(Cl)c1 2292757788 GVKWDHCXLCRQFM-INIZCTEOSA-N 298.858 4.502 30 10 CJEE C=CCCCC[C@]1(OCCN)CCCC[C@@H]1C(C)(C)C 2293300872 LHAKFWOTHURAQA-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCN)[C@H]1CCC[C@H](C)C1 2294015458 MUTNMDQTNRFHCR-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](CC)(C[C@H](C)CC)OCCN 2294026913 NKICQQFMLPBAMT-QZTJIDSGSA-N 281.484 4.521 30 10 CJEE 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CC1CCC(CS[C@@H]2C[C@@H](C)CC[C@H]2C#N)CC1 2313811323 WWMAQSCAHYMVPC-YLZDHBLKSA-N 265.466 4.874 30 10 CJEE C=CCC(CC=C)[C@@H](O)[C@@H]1CCCC(C)(C)CC1 2316737857 BDCMTUPREWTJQF-HZPDHXFCSA-N 250.426 4.722 30 10 CJEE C=CCCCCC[C@@]1(C(=O)O)CCC(C)=C(C)C1 2320263780 PWMBDLIXLBBSBZ-MRXNPFEDSA-N 250.382 4.714 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)[C@H]1CCCC(C)(C)C1 2321127004 FWZKHFLKOKOKLQ-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE Cc1cc(C)c(C)c(OC[C@@H](CS)CC(C)C)c1 2328522692 WAYHGJVTVREMPY-HNNXBMFYSA-N 266.450 4.583 30 10 CJEE CC(C)C[C@H](CS)COc1ccc2sccc2c1 2328523736 RKEHQTYOKXTLMX-LBPRGKRZSA-N 280.458 4.872 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](CC(C)C)C1 2337111655 OBVHZKFCUFLXRY-BDXSIMOUSA-N 263.469 4.926 30 10 CJEE C=CCCCN(CC)Cc1cc(F)ccc1C(F)F 2337942360 QRFFASGFFLDJFE-UHFFFAOYSA-N 271.326 4.551 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CC=C(C)CC 2338531334 YOVVIYKUUFEOCW-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=C1CC([C@@H](C[C@@H]2C[C@H]3CCC[C@H]2CC3)NCC)C1 2338922388 ZEFBFYHHRUIIGV-NBOOPKSLSA-N 261.453 4.537 30 10 CJEE CC(C)c1cccnc1C(=O)C1=CCCCCCC1 2340360603 BVYIMGNPNHQYAZ-UHFFFAOYSA-N 257.377 4.668 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NCC 2341928517 IOBFDJRILPGGFS-MGPQQGTHSA-N 277.374 4.690 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1C[C@]1(C=O)CCCC(F)(F)C1 2343365650 FKAYICYLUFMPCR-GZBFAFLISA-N 272.379 4.843 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(CC(C)C)c1 2344345314 MPANAOAQRPVCFT-QAPCUYQASA-N 259.437 4.748 30 10 CJEE C=CC[C@@H](C)[C@@H](Cc1ccc(F)c(C)c1Cl)NCC 2344345500 NKNPWUYSEONEMG-IAQYHMDHSA-N 283.818 4.520 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)ccc1OC 2344347389 BBWKHGNONVBBFZ-JKSUJKDBSA-N 281.827 4.602 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 2354995691 QRSGUYOZRHGHHK-SWOOZJHCSA-N 275.436 4.690 30 10 CJEE N#CC1(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCC2(CC1)CC2 2355583621 RMMYDSJMTVYDRC-MJBXVCDLSA-N 279.374 4.922 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@@H]1CC[C@H](COC)C1 2358943118 LKLQKJUHEJYTAQ-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)[C@@H]1C[C@H]2CC[C@@H]1C2 2359616190 YTHNXNQAKIZRPF-AITUJVMLSA-N 269.432 4.504 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1cccc(Cl)c1Cl 20177327 XYKCKSXWQKZYCV-CQSZACIVSA-N 297.229 4.870 30 10 CJEE CCC(CC)N(C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N 36789057 RNBXITUGUMNRLR-ZHALLVOQSA-N 284.447 4.583 30 10 CJEE Cc1csc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)n1 37155756 ODJPFLNRTIOKAD-FRRDWIJNSA-N 294.489 4.898 30 10 CJEE C=CCSc1ccccc1NCc1cnc(CC)s1 37924694 WOTWGFICLLPNKI-UHFFFAOYSA-N 290.457 4.596 30 10 CJEE C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CCCC[C@H]4[C@H]3CC[C@]21CC 44020249 MXXKGWYLIJQEBP-JMPUJIDWSA-N 298.470 4.704 30 10 CJEE N#C[C@H](CCOc1cccc(F)c1)c1ccc(Cl)cc1 57685167 WMDRGGMDUOTHJG-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCCCCCCOc1ccc(/C(CC)=N/O)cc1 59089437 LTHBLBWXAAKKNJ-WUKNDPDISA-N 263.381 4.624 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Br)cs2)C1 83791905 PEFNDQYCQKAEFT-ZWNOBZJWSA-N 298.249 4.773 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Nc2ccccc2C)CC1 86914213 WDHSQACXAQWPGJ-RDJZCZTQSA-N 256.393 4.660 30 10 CJEE CCC[C@H]1CCC[C@@H](Nc2cccc(F)c2C#N)CC1 86939759 ZRFUTPGKZXSCEZ-UONOGXRCSA-N 274.383 4.858 30 10 CJEE Cc1cc(OC[C@@H](CS)C(C)(C)C)ccc1Cl 94582248 ISTCAYDORYDUGV-NSHDSACASA-N 272.841 4.619 30 10 CJEE CCCCCCCCN[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101761170 KOYZQCLAHXSWMK-YLFCFFPRSA-N 251.458 4.761 30 10 CJEE COc1ccc(Cl)cc1Nc1ccc(C#N)c(Cl)c1 104015053 ZLUHBPCULNMFAW-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1cnn(C)c1 115651955 PQPMHJZGMYQRAN-QGZVFWFLSA-N 280.456 4.765 30 10 CJEE CCCCCCCCC(=O)c1cc(OC)c(OC)cc1F 115855422 KNASQQIUUQSQIN-UHFFFAOYSA-N 296.382 4.776 30 10 CJEE CCCCCCC[C@H](NN)c1ccccc1C(C)(C)C 122296455 NUCPXURSVAAINK-KRWDZBQOSA-N 276.468 4.849 30 10 CJEE C[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 125676292 GEQFQKMKNCJVLH-DGCLKSJQSA-N 262.784 4.592 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1n1c(S)nc2c(C#N)cccc21 126110354 OEKJORBIYCCATL-KBPBESRZSA-N 299.443 4.584 30 10 CJEE C#CC[C@H](CC)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 129738722 LUUIVLHNFYDNPX-WFASDCNBSA-N 284.230 4.836 30 10 CJEE C=C(CC)C[C@H](NC)c1cc(Cl)cc(Cl)c1 131632863 ITVVJZCEDOGGGK-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(OC2CC2)c1 132404323 BDQYMYMQSNYVGS-GOSISDBHSA-N 275.436 4.849 30 10 CJEE CCCCCC[C@H](C)Nc1c(F)cc(C#N)cc1F 133601490 VKKGPXOVHCULBH-NSHDSACASA-N 266.335 4.607 30 10 CJEE C=C(CNc1ccc(Br)cc1)c1ccccc1 134356780 YGWXOZOUUSTALH-UHFFFAOYSA-N 288.188 4.574 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1OCCc2ccccc21 135351644 IKOUIMYERWEBBY-MOPGFXCFSA-N 290.447 4.802 30 10 CJEE CCCCCCCCC[C@@H](COC(C)(C)C)NCC 139403166 SPCLVDCGYXTQPQ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CO[C@@H](C)C1 157980309 FXIVDSFGPADLNV-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](N)c1ccccc1SC 158195266 CLHKRVPPBCTEQM-AWEZNQCLSA-N 251.439 4.769 30 10 CJEE CCCCCCCCN[C@H](CC)c1ccc(O)cc1 160835450 OFRNXZNXVJZNIS-QGZVFWFLSA-N 263.425 4.793 30 10 CJEE C=CCN(c1cccc(F)c1[C@H](C)NCCC)C(C)(C)C 162273203 LYOGTHZMAWLDLE-AWEZNQCLSA-N 292.442 4.677 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 162648714 ILKHYEOUDZKEIP-CVEARBPZSA-N 265.400 4.969 30 10 CJEE C=C(C)CC[C@@H](Cc1ccccc1Cl)NCCC 164543896 FYZXLXBGFGIZCJ-HNNXBMFYSA-N 265.828 4.607 30 10 CJEE C=CCC[C@@H](NCCC)c1ccccc1C(F)(F)F 167775980 MLWQXLGRCGWUKS-CQSZACIVSA-N 271.326 4.712 30 10 CJEE Cc1nc(-c2ccccc2)sc1C#Cc1ccccc1 196640189 CLEQRTPYTLRVRB-UHFFFAOYSA-N 275.376 4.518 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2ccc(C)cc2/C(C)=N\O)C1 217224112 HOWFIYCMSNVSFW-BDEOENBDSA-N 275.392 4.541 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(CC#N)cc1 217966795 IEKLSLLCBAUYGZ-WBAXXEDZSA-N 270.420 4.625 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](n2ccnc2-c2cccs2)C1 222640947 SPSUUTHTHKGEHA-RDBSUJKOSA-N 285.416 4.503 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCCN1C 226051944 HTUHNKDRUUMDGY-GOSISDBHSA-N 282.516 4.591 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC1(CS)CCCC1 227281666 QRWCTAKIIWPSJJ-OAGGEKHMSA-N 284.509 4.954 30 10 CJEE C#C[C@@H](CCC)N[C@@H](CC(C)(C)C)c1ccccc1 229912891 APFJZRSIZAKSFF-IRXDYDNUSA-N 257.421 4.555 30 10 CJEE CCCCCCCCC[C@H]1C[C@@H](N)c2ccccc2O1 232952135 UHOGFNSOJHBWHE-DOTOQJQBSA-N 275.436 4.978 30 10 CJEE CCCCCCCCCc1nc(CCC)n(CC)c1N 232959981 RVGMEIGTQMLNQH-UHFFFAOYSA-N 279.472 4.731 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H](C)CSC 305930714 JKULCCILAUQDGU-HUUCEWRRSA-N 259.503 4.714 30 10 CJEE C[C@@H]1CCC[C@](C#N)(CCc2ccc(Cl)cc2)C1 308522716 PMOJRODGINYLDY-CJNGLKHVSA-N 261.796 4.993 30 10 CJEE C=C(C)CCC(=O)c1ccc(OCc2ccccc2)cc1 309984211 WPPOHMTYNLLUNQ-UHFFFAOYSA-N 280.367 4.805 30 10 CJEE CC1(C)CCC(C#N)(c2cc(Cl)ccc2[N+](=O)[O-])CC1 312309298 VABXVGGMFZHUEP-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccsc1Cl 312574572 DMKNXLIVPPWUGB-NSHDSACASA-N 283.183 4.732 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2nc3ccccc3s2)C1 316906499 UXUSCJVFDKIGER-DYVFJYSZSA-N 287.428 4.624 30 10 CJEE O=CC1(CCc2cccs2)CCCCCCC1 317752688 OPAROGBDIQHCKA-UHFFFAOYSA-N 250.407 4.610 30 10 CJEE N#C[C@@]1(CC/C=C\c2ccccc2)C[C@H]2CC[C@H]1C2 323604665 QSKJHBGHNNLZEQ-SVZKHLAJSA-N 251.373 4.810 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](CC)C2CCC2)C1 325549371 KJZZKLRGRIHJGY-DDBAPUKQSA-N 276.468 4.605 30 10 CJEE C=CCC(C)(C)CNc1cccc(SCC)c1C(=O)O 381242433 ZXHSTMRERIGQCG-UHFFFAOYSA-N 293.432 4.511 30 10 CJEE CC(C)C1CCC(C#N)([C@@H]2CCOC3(CCC3)C2)CC1 383373808 PHWPTPRDXXLKDL-AQFXKWCLSA-N 275.436 4.692 30 10 CJEE N#CC1(c2ncccc2C(F)(F)F)CCCCCCC1 383737193 QRXAIMHWJMWTJZ-UHFFFAOYSA-N 282.309 4.606 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2cccc(Cl)c2Cl)O1 383773251 NQBQBHCJXOPBJK-JOYOIKCWSA-N 270.159 4.517 30 10 CJEE CCCCCCCC/N=C1/N[C@H](CC(C)(C)C)CS1 393463690 HEULQSJIWUUKKV-CQSZACIVSA-N 284.513 4.844 30 10 CJEE CCCCCCCC[C@@H](COCC1CC1)NCCC 395549205 CSXAYYXIPIIGBY-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@@H](COCc1ccccc1)NCC 395553019 AKLAJRVMEADQSO-SFHVURJKSA-N 277.452 4.542 30 10 CJEE CCCCCCCCCC[C@@H](COCC1CC1)NCC 395622376 NXKIHNHEWRZSDW-SFHVURJKSA-N 283.500 4.922 30 10 CJEE Cc1ccc([C@@H](C)N(C)CC2(C=O)CCCCCC2)s1 395780566 YRVBRAVSZYYTMK-OAHLLOKOSA-N 293.476 4.589 30 10 CJEE CC[C@H](OC[C@H](CS)c1ccccc1)c1ccccc1 403304100 HVTWDWAPJARLRB-MSOLQXFVSA-N 286.440 4.868 30 10 CJEE C=CCCc1ccccc1NC(=O)N(CC)C[C@H](C)CC 505037596 CWYTYNNIGXQNDN-OAHLLOKOSA-N 288.435 4.705 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2ccc(CC)cc2)C1 552378693 KXHRWQCDWSAATE-VQIMIIECSA-N 299.458 4.557 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cc2c(s1)CCC2 686692055 ZEAXSPRASAYGNP-INIZCTEOSA-N 289.488 4.861 30 10 CJEE C#CCCCCCC(=O)c1ccc(F)c2ccccc12 686694567 NZARZFVIXRPIKJ-UHFFFAOYSA-N 268.331 4.745 30 10 CJEE C#CCCCCC[C@H](NCCC)c1c(F)cccc1F 686696493 FPFXQUHEEXNSBT-INIZCTEOSA-N 279.374 4.589 30 10 CJEE C#CCCCCC[C@H](NC)c1cccc(C(F)(F)F)c1 686696603 CSFAPFHIBASSMX-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CCC[C@H](/N=C1/NC2(CCCCC2)CCS1)C1CCC1 687319117 XDKYCSBBEQLYMT-HNNXBMFYSA-N 294.508 4.741 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@]12COC[C@H]1C2 689098142 KORUPSMKJYZNNL-FGTMMUONSA-N 281.484 4.532 30 10 CJEE C[C@@H]1CCCCC[C@@H]1N(C)C[C@H](C#N)C1CCCCC1 691176386 DSPZUUXHOVJGDY-NJAFHUGGSA-N 276.468 4.607 30 10 CJEE CCCCCCCCO[C@H](CC)CNC(CC)CC 695083733 YZGZZIVKMPJICW-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCOC1(C)C 703151355 SJNLTRAFCXQBCU-INIZCTEOSA-N 269.473 4.532 30 10 CJEE C=CCCC(C)(C)CNc1cc(Cl)c([N+](=O)[O-])cc1C 707761041 DCKZKTFRYKLNAT-UHFFFAOYSA-N 296.798 4.961 30 10 CJEE CN(C[C@@H](CS)c1ccccc1)[C@@H]1CCCC(C)(C)C1 708603026 XFNYRTPEBUEYTB-DLBZAZTESA-N 291.504 4.601 30 10 CJEE C#CCCCCC[C@@H](NCC)C12CCC(CC1)CC2 710174493 XALOFBZCCPQDMM-LXPRWKDFSA-N 261.453 4.519 30 10 CJEE C=CC[C@H](C)[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 715724931 WUEIQJDDFJEHFT-QPUJVOFHSA-N 277.717 4.571 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](C)[C@H]1CCCO1 720150128 CXMVUZXNASZINB-IXDOHACOSA-N 269.473 4.530 30 10 CJEE C[C@H]1C[C@H](CC2(C=O)CCCCCCC2)C[C@@H](C)O1 724374116 HOBWHCMTFVJUAK-MUJYYYPQSA-N 266.425 4.510 30 10 CJEE C=C1CCC(C[C@H](O)[C@@H]2CCC[C@@H](CC)C2)CC1 724541650 BFVJNBAXZGQLJC-OIISXLGYSA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2C[C@H]2C2CC2)NCC)CC1 724603019 QOKIIJOSLUEMKW-KSZLIROESA-N 261.453 4.537 30 10 CJEE Cc1ccc(C2CC(=NNc3cccc(F)c3F)C2)cc1 743443429 YGYUVVRIWMEEPN-UHFFFAOYSA-N 286.325 4.619 30 10 CJEE CC/C(=N\OCC(C)C)c1ccc(C(C)(C)C)cc1 821221540 WJJUJYBJAODYBV-FBMGVBCBSA-N 261.409 4.771 30 10 CJEE C=CCCCC(=O)OCc1ccc(C(C)(C)CC)cc1 1127558824 QNMCJSZVXNQCDR-UHFFFAOYSA-N 274.404 4.774 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccccc1C(F)(F)CC 1132769672 KYKORPNGFVQQIT-LBPRGKRZSA-N 281.346 4.729 30 10 CJEE C=CCCC[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccccc1 1132948864 MGVXFTCZUVZYJN-CRAIPNDOSA-N 285.431 4.636 30 10 CJEE C=C(C)c1cccc(NCc2cc(C)cc(C)c2)c1 1179748031 VJUKIJBWFLCUTK-UHFFFAOYSA-N 251.373 4.949 30 10 CJEE C=CCNCc1ccccc1Oc1cc(Cl)ccc1C 1199060409 URGHAKDGSOOECX-UHFFFAOYSA-N 287.790 4.716 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1CCCc2ccccc2C1 1207708433 ULMVLVKZPPRKIC-RTBURBONSA-N 271.448 4.659 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cccc3scnc23)c1 1289566904 HXOCBJGRROCLHL-UHFFFAOYSA-N 294.379 4.582 30 10 CJEE 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CJEE C#CC1(NCCCCCCCC2CC2)CC(C)(C)C1 2272600705 YENSGVXGQINOOZ-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=C[C@@H](C)CCN[C@@H](C)c1sc(C(C)(C)C)nc1C 2273030392 DUQPULAXPOAAQQ-NEPJUHHUSA-N 280.481 4.612 30 10 CJEE CCCCCCC[C@@H](C#CC1CCCC1)NCCC 2274072912 LVQCFIOAEAYHCS-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCC[C@@](CC)(CCC)OCCC(=O)O 2274994929 WVAPQDNPASCVJC-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE CCCCCCCCC[C@](C)(CSCC)OCCN 2276642544 SKQMXENOAHWPLC-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1nc2ccccc2s1 2278002582 MMHLMLVEZGDPJP-SWLSCSKDSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](C)CCCO 2278245347 VOFPZIZNPBLYNO-IRXDYDNUSA-N 271.489 4.514 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@@H]1CCOC1 2278248177 ZTJMJJMWDXSBMS-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C#CC[C@H](C)C[C@H](C[C@H]1CCCCC12CC2)NCCC 2279521603 LIGJCZBSCXQXHC-RCCFBDPRSA-N 275.480 4.765 30 10 CJEE CC(C)N[C@@](C)(C#N)CCCCSC[C@@H]1CC[C@@H](C)C1 2284037745 GUQODZFVBHYMAQ-BRWVUGGUSA-N 296.524 4.606 30 10 CJEE CCCCCCCCCC[C@H]1[C@H]2COC[C@@H]1C[C@@H](N)C2 2285829993 OKWYXOVOXJCFRN-KNCDZKKRSA-N 281.484 4.517 30 10 CJEE Cc1cc2sccc2c([C@@]2(C#N)CCCC(C)(C)C2)n1 2286125579 DWCGZMQLBYSNTF-KRWDZBQOSA-N 284.428 4.966 30 10 CJEE CC1(C)CCC[C@@]1(C=O)CCCCCCCCCCO 2286816893 FPLHEFNVJAFFLL-GOSISDBHSA-N 282.468 4.885 30 10 CJEE C=C(C)CCCC[C@@H](NCC)[C@H](O)C(CC)(CC)CC 2287390546 QPZPTOLKLMAQMO-SJORKVTESA-N 283.500 4.678 30 10 CJEE C=C(C)CCCCC(=O)[C@@](O)(CC)c1cccc(Cl)c1 2287471181 YSROFIFPZHUDME-QGZVFWFLSA-N 294.822 4.643 30 10 CJEE C=CCC(C)(C)COCC[C@@H]1CCCC[C@@H]1NCCC 2288877950 VJEASUNLMMAOJJ-IRXDYDNUSA-N 281.484 4.554 30 10 CJEE CN[C@H](C#CC1CCCCC1)[C@@]12CCCC[C@@H]1CCC2 2289681400 KYUWSTQWVIQOGM-GUDVDZBRSA-N 273.464 4.519 30 10 CJEE CC(C)(C)NC[C@H]1CCCC[C@H]1CC#CC1CCCC1 2289875495 QUPCYNCIKNTRMW-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CC(C)(C)CCC2(C)C)cc1 2290254519 PPLWXYQILVSMJB-GOSISDBHSA-N 270.420 4.906 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)C(C)C)OCC(=O)O 2292391124 HOOPODBQSFBMNI-RDJZCZTQSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCCCC1(OCCC(=O)O)CCC1 2292457114 JLSVUTZDFZDSHC-UHFFFAOYSA-N 282.424 4.707 30 10 CJEE C=CCC[C@@](C)(OCCCN)c1cc(C)c(Cl)c(C)c1 2292600889 MGFRYZYIVREGPP-QGZVFWFLSA-N 295.854 4.504 30 10 CJEE C=CCCCCC[C@]1(OCCC(=O)O)CCC[C@@H]1CC 2292703916 XMNQZKFINWNUGB-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)C=CCC(C)(C)C1 2292793380 ZWVWDVJGXZEACA-GOSISDBHSA-N 279.468 4.603 30 10 CJEE C=CCCCCC[C@H](OCCN)C(C)(C)C1CCCC1 2292909265 NKDFEADJDZFOAD-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@H](OCCN)C1[C@H]2CCC[C@H]12 2293015685 SJJGUJFFRJSZTG-ULQDDVLXSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@H]1C[C@@H]2CC[C@@H]2C1 2293648159 UDGSPKOIQADJFZ-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)c1ccccc1C 2293825909 RLMJSHNHZRZCDW-SFHVURJKSA-N 277.452 4.762 30 10 CJEE C=CCCCCCC[C@H](OCCN)c1cc(C)c(C)s1 2293993952 IGIJGLFCXJEYRF-INIZCTEOSA-N 295.492 4.908 30 10 CJEE C=CCCCCCCCC[C@](C)(CC=C)OCCCN 2294022262 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C=C[C@H](C)CCN(C)Cc1ccc(Cl)c(Cl)c1C 2316701751 QVXRBZMGXKBRPS-NSHDSACASA-N 286.246 4.946 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@H]1C(C)C)NCCC 2321144866 LCFGHQWTIVHKSW-HRCADAONSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)C(=O)C[C@@H]1CCCC[C@H]1C(F)(F)F 2321145135 NEEINHVVDBJRDB-SDDRHHMPSA-N 262.315 4.527 30 10 CJEE CC(C)(C)[C@@](C)(CS)COCC1CC2(CCC2)C1 2327110834 XHGKTOMXDBKVTG-OAHLLOKOSA-N 270.482 4.566 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C#N)c(SC)c1 2328526095 QUIXLAYHXUCKOK-NSHDSACASA-N 262.422 4.517 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329821198 GAGPIERDRVNPDO-NNPSNHGLSA-N 263.469 4.783 30 10 CJEE C[C@@](C#N)(C[C@@]12CCCC[C@@H]1CC2)c1ccccc1 2334819281 ULLWLDNAKNNEDC-SQNIBIBYSA-N 253.389 4.828 30 10 CJEE CCCCCCCCCC[C@@H](C#CC1CC1)NCC 2337430788 ZALCOBDCGCKJEC-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CC1(C)OCCC[C@]1(C#N)CCCC1=CCCCC1 2341016339 WHHJTLKHLZKYNR-KRWDZBQOSA-N 261.409 4.756 30 10 CJEE CCCCCC#CC[C@@H](CCCCC1CC1)NCC 2341416143 DEIBNKSGLDDBFS-SFHVURJKSA-N 263.469 4.909 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@@H](C)[C@H](C)N1 2341809482 RFDXYLMUDMHTNF-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=CCCC[C@H](CCCCC(F)(F)C(F)(F)F)NC 2342337349 IKWPBUCKRZNDOE-LLVKDONJSA-N 287.316 4.689 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2ncc(C(F)F)s2)CC1 2343573049 OHJMRJBCPHKGMG-SECBINFHSA-N 285.359 4.646 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCc1ccccc1)NC 2344339887 MUTFOOUXAJMTTG-ROUUACIJSA-N 259.437 4.590 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC[C@H]1C(F)(F)F)NCC 2344359446 YGKUGKZOTWVKNI-UPJWGTAASA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)C(=O)c1ccc(OC)c(C(C)C)c1 2344410451 YOVSWZQESZQDPC-UHFFFAOYSA-N 260.377 4.604 30 10 CJEE O=C[C@@]1(CCC2(C(F)(F)F)CC2)CCCCC12CC2 2344912565 CQCSCIKRHZSIKP-AWEZNQCLSA-N 274.326 4.649 30 10 CJEE CC[C@H](C1CCCC1)N(C)CC1(CS)CC(C)(C)C1 2345007276 YEEMBIFBOPBLCJ-OAHLLOKOSA-N 283.525 4.623 30 10 CJEE CC(C)(C)[C@@](C)(CS)CN1CCCC[C@H]1C1CCC1 2352101896 WYVDJCHMWSIEIT-DOTOQJQBSA-N 283.525 4.623 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2353059961 WPIBJCDAASHADH-JHJVBQTASA-N 296.241 4.754 30 10 CJEE CCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@H]1CCC)NCC 2357796445 TWEJNMIJYDMJBJ-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCCCC[C@@H](N)[C@H]1OC[C@@H]2CCCC[C@H]12 2358463131 HPHKYXDMOOPCPY-FJIDUMEYSA-N 281.484 4.660 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CC[C@@H]1NCCC)CC2 2360321968 CKBBNDCTJQXWNF-DLBZAZTESA-N 293.520 4.941 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CN[C@H](C)CC)cc1C#N 2360363644 JDFXMMVXTLIDMK-ZIAGYGMSSA-N 288.460 4.503 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 21499692 DBXHADWELHRMAU-JKSUJKDBSA-N 256.393 4.575 30 10 CJEE O=C(/C=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1 33414338 ZAMCAJQNUOUXJH-YFHOEESVSA-N 281.742 4.717 30 10 CJEE Cc1cccc(C2CC(Nc3cc(Cl)ccc3C#N)C2)c1 36954543 IUMSQMMIGCLIHN-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE Cc1ccc([C@H](C)Nc2cc(C#N)cc(F)c2C)s1 37089269 FZEJXOIMRWMKJR-NSHDSACASA-N 274.364 4.549 30 10 CJEE CC[C@@H](C)S[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 37155955 YHGCTOARCBVSCI-SYQHCUMBSA-N 253.455 4.873 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cccs2)C1 37156184 GVSPLSIULUKKDQ-IJLUTSLNSA-N 251.420 4.559 30 10 CJEE N#C[C@@H](C(=O)c1cccs1)c1c(Cl)cccc1Cl 37344076 YOIJEDKBYFDYKL-MRVPVSSYSA-N 296.178 4.545 30 10 CJEE CCCC1CCC(C#N)(Nc2ccc(C)cc2)CC1 37935450 QXFXMLXCZNHEPG-UHFFFAOYSA-N 256.393 4.660 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2OC)C1 41030604 RLCHOESOOAGARD-XJKCOSOUSA-N 275.417 4.506 30 10 CJEE N#Cc1c(Cl)cccc1Nc1ccc2ncccc2c1 54108700 GAOXDZPFYDOTRE-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N#C[C@@H](Nc1cccc(F)c1)c1csc2ccccc12 54464721 UVMLYPTVZVKSDY-OAHLLOKOSA-N 282.343 4.717 30 10 CJEE C[C@H](C#N)Cn1c(-c2cccc(Cl)c2)nc2ccccc21 57800469 YPWUERLGTOKQNX-GFCCVEGCSA-N 295.773 4.516 30 10 CJEE C[C@@H](C#N)Cn1c(CCC2CCCCC2)nc2ccccc21 57800793 IBICSNULQCGRCR-HNNXBMFYSA-N 295.430 4.709 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 59434578 HYDZCPSGMSALPU-CVEARBPZSA-N 272.436 4.958 30 10 CJEE CCCOc1ccc(-c2cc(CC#N)c(CC)s2)cc1 77097177 BUGZHAOCMQSDSN-UHFFFAOYSA-N 285.412 4.832 30 10 CJEE CCCCCCn1cc(C(=O)CC#N)c2cc(C)ccc21 84863299 WWFSHCMKINWUQP-UHFFFAOYSA-N 282.387 4.626 30 10 CJEE C[C@@H](CCS)CCSc1ccc(Cl)cc1 87095984 VXSFGJXSJMZSSQ-JTQLQIEISA-N 260.855 4.778 30 10 CJEE CC[C@@H](C)SCc1nc(-c2ccc(C#N)cc2)cs1 87140370 FSYSERBWQMLYDE-LLVKDONJSA-N 288.441 4.713 30 10 CJEE CCCCN(CC(CC)(CC)CS)[C@@H](C)CC 94581551 RWGMRXFESAZKMU-AWEZNQCLSA-N 259.503 4.623 30 10 CJEE C[C@@H]1CCC[C@](C#N)(Cc2nc(C(C)(C)C)cs2)C1 94981715 ZWQAJDKMVQMLLK-MLGOLLRUSA-N 276.449 4.703 30 10 CJEE C=C(C)COc1ccc(CNCCCCCCC)cc1 100126317 GGUPUJWHUIDTCV-UHFFFAOYSA-N 275.436 4.702 30 10 CJEE C=C(C)NSc1cc(Cl)c(Cl)cc1Cl 101464408 HCPXUPOFJKZJMV-UHFFFAOYSA-N 268.596 4.777 30 10 CJEE CCc1cccc(C)c1Nc1ccc(Cl)cc1C#N 104000031 FIODTFKZFPZXOL-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCCCCCCCN(C)[C@@](C)(CC)CN 110107690 LVGCVASKNZSCHV-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CC[C@H](C)[C@@H](C(=O)C1=CCCCC1)c1ccccc1 110174752 RVVHXJHIJCDPRX-WMLDXEAASA-N 256.389 4.886 30 10 CJEE CCCCCCCC[C@H](CCOc1ccccc1)NC 112888594 OYGSLWOANTXOJA-QGZVFWFLSA-N 277.452 4.794 30 10 CJEE CCCCCCCCCC[C@@H](COCC)NCC 115249327 ZEEOFSAHFZWHON-INIZCTEOSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@H](Cc1nc2ccccc2o1)NC 115999841 MQMCFBSMOSABBM-OAHLLOKOSA-N 288.435 4.709 30 10 CJEE CCCCCCC[C@H](NN)[C@H]1CCCC[C@@H]1C(F)(F)F 122325257 JFCBSUDIDQTLOD-IHRRRGAJSA-N 294.405 4.548 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1OC 122433100 FWHCOUNUNOIMKP-OAHLLOKOSA-N 298.858 4.604 30 10 CJEE CCCCCCCCCC[C@@]1(CN)CCC(C)(C)[C@H]1O 124016033 FPLMEEPKDOLBNC-AEFFLSMTSA-N 283.500 4.643 30 10 CJEE CCCCCCCCC[C@H](NN)[C@@H]1CCC[C@H](C)C1 125901815 SXZIKJDFFVMGHF-BBWFWOEESA-N 268.489 4.785 30 10 CJEE N#Cc1cc(F)ccc1NCc1ccc(Cl)c(Cl)c1 126214516 NAZKUSYAYOFZHU-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)c(F)c1 127804946 BCHIOOTVNFAWGC-VIFPVBQESA-N 292.716 4.663 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(Cl)cc1F 159194666 UPPHCPVYWFTHCN-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCCCCCCCNCc1c(Cl)cccc1[N+](=O)[O-] 159279799 XLCIBZDVMSKKSX-UHFFFAOYSA-N 298.814 4.698 30 10 CJEE CCCCCCCCCC[C@H](NCC)[C@H]1OCC[C@H]1C 162320660 MSFWTYPJIUGYTJ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C=CC[C@H](C)N[C@@H](C)c1sc2ccccc2c1C 162650490 NMVPIIGEYLAIAS-AAEUAGOBSA-N 259.418 4.825 30 10 CJEE CCc1cccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164397399 PTZLKODXXCZGGI-UHFFFAOYSA-N 290.288 4.883 30 10 CJEE CCCCCC[C@H](C)OCc1ccc(C#N)cc1C 165548973 RSUHZWBCCMNQLR-HNNXBMFYSA-N 259.393 4.742 30 10 CJEE CCCCCCCC[C@@H](CCC[C@H]1CCCO1)NC 169273644 ZVUQZPKFIWKPDG-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE Cc1ccc(-c2ncc(C#Cc3ccccc3)s2)s1 196640285 ZOOGEXZUIOIHLY-UHFFFAOYSA-N 281.405 4.580 30 10 CJEE C[Si](C)(C)C#Cc1ccc(Cl)c(C(F)(F)F)c1 197990674 PHCFWVPSSMOCDQ-UHFFFAOYSA-N 276.761 4.588 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNC1CC1 212250661 QGFHDVFZTMAIRT-BZUAXINKSA-N 263.469 4.783 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccs2)C1 222266183 IHYYTGRWWFVBGC-AGIUHOORSA-N 265.447 4.949 30 10 CJEE CCCCCCCCCCNCC[C@H]1CCCCO1 223739810 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30 10 CJEE C=CC[C@@H]1CCN(CCCc2cccc3ccccc23)C1 1174892062 ZCDSCFBNXLZVET-QGZVFWFLSA-N 279.427 4.670 30 10 CJEE C=C(C)[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 1180953649 RKTUGVBXTBEAJQ-FGVQXAILSA-N 291.385 4.606 30 10 CJEE C=CCCCCCN(C)C[C@H]1CCC2(CCCCCC2)O1 1191145484 OQHAFJXNDOJZCH-GOSISDBHSA-N 293.495 4.937 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 1206644188 FQYDOWHNWKHYGT-YJNKXOJESA-N 271.395 4.535 30 10 CJEE C=CC[C@@H]1N(C(=O)c2ccc(C)cc2C)CCCC1(C)C 1270792182 FSTBECXLPSDZJC-KRWDZBQOSA-N 285.431 4.510 30 10 CJEE C#Cc1ccc(NC(=O)[C@@](C)(CC)CCCCCC)cc1 1289618055 XLYMTEWNYARJFQ-IBGZPJMESA-N 285.431 4.993 30 10 CJEE C#Cc1ccc(N[C@H](CC)C[C@@H](C)CC)c(Cl)c1 1308959907 CRDLEHLIMHBLBZ-GXTWGEPZSA-N 263.812 4.948 30 10 CJEE C=CCC1(C(=O)N(C)c2ccc3ccccc3c2)CCCC1 1354283539 PLKYRNSCEZIAOI-UHFFFAOYSA-N 293.410 4.939 30 10 CJEE C=CCC1(C(=O)Nc2ncc(C(C)C)s2)CCCCC1 1435205738 TUTOYRCIEFVQGX-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C#CCCCCCC(=O)N1CCCCC12CCCCCC2 1440150323 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2314001795 ILTQQARGODJHMT-LBPRGKRZSA-N 267.775 4.534 30 10 CJEE C=CCC(CC=C)[C@H](NCC)c1ccc(CC)s1 2316739929 WOUSYJTUYGOOEC-INIZCTEOSA-N 263.450 4.730 30 10 CJEE C#CCCCCCCNCc1cc2cscc2s1 2316797368 KIRJYJYTCSWLLT-UHFFFAOYSA-N 277.458 4.636 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1ccc(Cl)cc1CC 2319245481 FQDXYUDODOIKDF-JKSUJKDBSA-N 263.812 4.519 30 10 CJEE CCCCCCC[C@H](N)CC[C@H]1CC[C@H]1C1CC1 2319692378 IEUKFDKBZQKDIL-ULQDDVLXSA-N 251.458 4.891 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)C1CCC(C)CC1 2321102620 SESFXLONDULAJN-BHUNQDJPSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@H](C)C(F)F)NCCC 2321132522 ZIULOOGQXXBENH-QWHCGFSZSA-N 261.400 4.638 30 10 CJEE CC(C)Sc1cccc(C2=CC(=O)C[C@H](C)C2)c1 2327781006 HESWTEHGSWOLMT-GFCCVEGCSA-N 260.402 4.570 30 10 CJEE C=C1C[C@@H]1C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2332700455 MWLZLBUVAGYEHA-XMTFNYHQSA-N 261.453 4.537 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCC1 2334662249 YRTRJKIRWUTQFW-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H](C)C(=O)c1ccc(C)cc1 2335246119 TYPLYFNWPJPPKR-AWEZNQCLSA-N 274.429 4.820 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 2338751171 ZQDKKQBFUGMZCG-XMTFNYHQSA-N 261.453 4.559 30 10 CJEE CCCCCC#CCC(=O)[C@H]1C[C@H]2CCC[C@H]1CC2 2338791381 WODUUQHNDCAXLD-ULQDDVLXSA-N 260.421 4.746 30 10 CJEE CCCCCCCC(=O)c1cccc(COC)c1C 2343677796 KXEMJNSEUIKPKN-UHFFFAOYSA-N 262.393 4.685 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCC)c1cccc(F)c1F 2344378671 VTTQYSQWBPSMPO-HOTGVXAUSA-N 267.363 4.608 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(C)ccc1C(C)C 2352931217 WPJXTJYOLYVQRG-QAPCUYQASA-N 259.437 4.981 30 10 CJEE C=CCCCN(C)CC1CCC(CC(F)(F)F)CC1 2353197030 AITUQYNBOHMTKM-UHFFFAOYSA-N 277.374 4.643 30 10 CJEE CSc1cc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1C#N 2353825214 IEBXVLOBZUCVOD-JYAVWHMHSA-N 274.433 4.517 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccccc1C(C)(C)C 2360210455 ROCFZVKLDZEYNI-UHFFFAOYSA-N 272.388 4.662 30 10 CJEE C=CC[C@H](C)Sc1cc(C)cc(F)c1CNCC(C)C 2360367086 VCJSMUAKILVBMO-AWEZNQCLSA-N 295.467 4.936 30 10 CJEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@@H]1C3 4102255 TUJQVRFWMWRMIO-XRNRSJMDSA-N 288.475 4.948 30 10 CJEE biogenic,in-vitro N#Cc1ccc(CSc2ccccc2Cl)cc1 19847604 IYCVZZYOVUJDOO-UHFFFAOYSA-N 259.761 4.504 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N2CCCc3ccccc32)C1 37146402 BLRXGTLVAPXTOF-KVSKMBFKSA-N 282.431 4.548 30 10 CJEE Cc1ccccc1C(=O)[C@H](C#N)c1ccc(C(C)C)cc1 37347988 HRJCNLMLSCIGIU-GOSISDBHSA-N 277.367 4.609 30 10 CJEE CCCCCC[C@H](C#N)Nc1ccc(Br)cc1 37936204 LBGHBNPQIGRGMU-CQSZACIVSA-N 295.224 4.724 30 10 CJEE CCCC(C#N)(CCC)Nc1ccccc1Cl 37938135 PHCUYYBBZBACOM-UHFFFAOYSA-N 250.773 4.614 30 10 CJEE CC(C)[C@@H](Nc1ccc(F)c(C#N)c1)c1cccs1 51635954 UWTQYICBPWPIRF-OAHLLOKOSA-N 274.364 4.568 30 10 CJEE C=C[C@@H](C)Oc1c([C@H](C)NC2CC2)ccc2ccccc12 52141591 IZHPKZNMDDRGAO-KGLIPLIRSA-N 281.399 4.606 30 10 CJEE CC(C)(C)c1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1 54823237 FHKNMWVLSAOQJI-WMLDXEAASA-N 270.420 4.868 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1Cl 54823265 MFNQTBBBFBYPDG-GXFFZTMASA-N 283.202 4.878 30 10 CJEE CCC[C@H](N[C@H]1CCCCC[C@@H]1C#N)c1cccs1 54827075 JLCGAJWAHWXYRQ-ILXRZTDVSA-N 276.449 4.651 30 10 CJEE Cc1ccc(C)c(OCCC[C@@H](C#N)c2ccccc2)c1 57684463 AXNREWNXVBUQDY-SFHVURJKSA-N 279.383 4.770 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCOc2ccc(F)cc2)c1 57695406 FGNZQDUHMLDDHA-OAHLLOKOSA-N 283.346 4.519 30 10 CJEE CCCCCCCO[C@H]1C[C@H](c2ccccc2)CC[C@@H]1N 59083406 DBNXUNKVOUJWKG-QYZOEREBSA-N 289.463 4.637 30 10 CJEE CCCCCCCCCOc1cccc(/C=C/C(=O)O)c1 59095915 DPTARDXVJCMOSD-OUKQBFOZSA-N 290.403 4.914 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1c1cc(Cl)cc(Cl)c1 62625237 XEHYNDPYWLRFJL-ZANVPECISA-N 254.160 4.791 30 10 CJEE CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)c1ccccc1 62723246 GYIQPXCFHVSUDK-PCUGXKRQSA-N 254.373 4.808 30 10 CJEE CC(=O)c1ccc(N(CCC#N)c2ccccc2)cc1Cl 78940402 CLROPWLBNZIEJV-UHFFFAOYSA-N 298.773 4.594 30 10 CJEE N#Cc1ccc(Nc2c(Cl)cccc2Cl)c(F)c1 88171004 FISKINLQKVNBQG-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE SCC1(CO[C@@H]2CCCc3ccccc32)CCCC1 94583838 URNCYOKPMUYQEC-MRXNPFEDSA-N 276.445 4.571 30 10 CJEE CCC(CC)[C@H](C#N)Sc1ccc(Cl)cc1 94674694 QQXHDPKPMIREKX-ZDUSSCGKSA-N 253.798 4.760 30 10 CJEE C=CCCC[C@@H](NCC)C1CCC(C(F)(F)F)CC1 97219668 PNVAGIXIYOUAQW-JXQTWKCFSA-N 277.374 4.690 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H](C)Oc1cccc(Cl)c1 97283908 ZWMLFVUKFJXRFV-PBHICJAKSA-N 295.854 4.832 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccncc1 103930910 GXEDEDYIQCIFTF-QGZVFWFLSA-N 262.441 4.873 30 10 CJEE CCCCCCCOCc1c(CN)sc2ccccc12 107345069 QBIUOYKGDKEHDI-UHFFFAOYSA-N 291.460 4.847 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1ccc(C(F)(F)F)cc1OC 107476534 SBMXFTGZIVKIGF-NWDGAFQWSA-N 284.321 4.867 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccccc1F 109745444 BKWKJYWDGFOCFI-MRXNPFEDSA-N 251.389 4.966 30 10 CJEE CCCCCCC[C@@](C)(Nc1ccc(F)cc1)C(=O)OC 110319370 CYBMJHLINULWGA-QGZVFWFLSA-N 295.398 4.530 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CNC2CC2)C1 111610803 HBKWUWONQCZBAZ-SFHVURJKSA-N 294.527 4.591 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(Cl)cn1 125071716 CNGLQLFJKFKQEG-CQSZACIVSA-N 255.789 4.519 30 10 CJEE CCCCCCCC[C@H](O)c1c[nH]nc1-c1ccccc1 134656556 CRTCJAQZXQOMIQ-KRWDZBQOSA-N 286.419 4.861 30 10 CJEE C=C(CC)C[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)C 156297869 QZYVLYGKXJNCMV-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE Cc1cc(Nc2cc(Cl)ccc2Cl)c(C#N)c(C)n1 157370649 WVGAKAWOKJCWPE-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H](OCC)C(C)C 158230995 RJOXJHOKRIRDAZ-IAGOWNOFSA-N 271.489 4.776 30 10 CJEE C=C[C@@](C)(CNCC(C)C)Cc1c(C)cc(C)cc1C 158941255 LZJJODRVLPWDBA-LJQANCHMSA-N 273.464 4.592 30 10 CJEE CCCCCCCCCC[C@@H](O)C(F)(F)Cl 164031569 AZORHUAIQYWPLJ-LLVKDONJSA-N 256.764 4.710 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1cncc2ccccc12 165034167 FHZQYCXLVNJENA-QGZVFWFLSA-N 293.757 4.565 30 10 CJEE C=CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1CNC1CC1 212250792 QGFHDVFZTMAIRT-OWCLPIDISA-N 263.469 4.783 30 10 CJEE CC12C[C@@H]3C[C@H](C1)CC(C(=O)[C@@H](C#N)c1cccs1)(C3)C2 228369404 NFPVROGUGMCHGS-NSKAOLIHSA-N 299.439 4.531 30 10 CJEE CCSc1cccc(N(C)[C@H]2CCC[C@@H](C)C2)c1C#N 228882263 NVNLTNFTJKRFIN-KGLIPLIRSA-N 288.460 4.685 30 10 CJEE C=CCCCCCC(=O)c1cc2c(s1)CCSC2 232568508 XVHUOAMNQUHVIR-UHFFFAOYSA-N 280.458 4.857 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@H](OC)C1(C)C 232917565 IMPUOKMVIQDCPR-HOTGVXAUSA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C)c(C)c1OC 232927297 IYTIWYXEZSUHJT-KRWDZBQOSA-N 277.452 4.933 30 10 CJEE CCC[C@@H](C)COCC1(CS)CCCCCC1 233271960 UMDLXYDPVXDDJC-CQSZACIVSA-N 258.471 4.710 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)Sc1ccccc1Br 233282819 BLQQUJIYHQSVEA-ZWNOBZJWSA-N 298.249 4.870 30 10 CJEE C=CCCCCC[C@H](N)Cc1cccc2ccccc12 236301635 NYPQAIHUJORHFB-SFHVURJKSA-N 267.416 4.846 30 10 CJEE CC[C@H]1CCCC[C@H]1Oc1ccc(C)cc1C(C)=NO 252461648 NNIUUQSTYFSJKF-GOEBONIOSA-N 275.392 4.541 30 10 CJEE C=CCCCN[C@H](C)c1cc(Cl)ccc1Cl 304217132 GOQCGYOQVQCARJ-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE C=CCCCCN[C@H](CC)c1ccc(Cl)cc1 310093525 SUZWTCYUJYFDGJ-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C[C@H](CNc1ccc(C#N)cc1Cl)C1CCCCC1 312029171 NFHHBVLHJIZWKF-GFCCVEGCSA-N 276.811 4.840 30 10 CJEE C[C@H]1CC=C(C(=O)Cc2ccccc2C(F)(F)F)CC1 312466364 ZNMQKPHDGSLAHW-NSHDSACASA-N 282.305 4.563 30 10 CJEE CCCC1CCC(C=O)(Cc2cccc(C)c2)CC1 317319255 YZTUTYUYKOFNNL-UHFFFAOYSA-N 258.405 4.713 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(OC)ns1 319844226 UMJKFKOQVTYWSH-ZDUSSCGKSA-N 284.469 4.553 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1cc(Cl)ccc1OC 319882417 XFECWVJLASMIEC-COPLHBTASA-N 265.784 4.638 30 10 CJEE CCCCCCCCCC[C@H](N)C(C)(C)SC 327851610 GIDDXKODURUPOD-AWEZNQCLSA-N 259.503 4.986 30 10 CJEE C[C@@H]1CCC[C@@]2(CS/C(=N/CC3CCCCCC3)N2)C1 389582437 MBULOXHZEKRDKS-PBHICJAKSA-N 294.508 4.598 30 10 CJEE CC(C)[C@@H](C#N)CNc1c(Cl)cccc1C(F)(F)F 397520709 VFAODXUJARWBSS-VIFPVBQESA-N 290.716 4.566 30 10 CJEE CCCCCCCCCCCCNC[C@H](C)C[C@@H](C)O 398598074 SVVIMZTUYVBMGU-QZTJIDSGSA-N 285.516 4.904 30 10 CJEE C=CCCCCCCNC[C@H]1CCCC[C@@H]1CC 401490542 XXVZJHGXRVWYGY-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)Nc1ccc(Cl)cc1 401752338 OEWSDMMLHUFCLG-UHOFOFEASA-N 276.811 4.860 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N2CCC=C(Cl)C2)C1 404399567 FLGHMUOALZXZCP-LZWOXQAQSA-N 294.870 4.559 30 10 CJEE N#Cc1cc(-c2c(Cl)cccc2Cl)ccc1F 514261008 YMSFSLPLORXABK-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE CCCCCCCCCCC[C@H](O)c1cc(C)nn1C 686276874 WJQMLBLIELWRMK-KRWDZBQOSA-N 280.456 4.683 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncnc2c(C)csc12 692249971 BGVVBELMOWABOX-STQMWFEESA-N 287.432 4.547 30 10 CJEE CCCCCCCCCCNC[C@@]12CCC[C@@H]1C2 693598775 JZNGAPWRPJLZFT-SJORKVTESA-N 251.458 4.907 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@H]1CCC12CCCCC2 693841551 RDRGZONNUWORNL-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE C=C1C[C@H]2CC(NCC(CC)(CC)SC)C[C@@H](C1)C2 697303941 GUEUGWZKHXQRHM-XYPWUTKMSA-N 281.509 4.633 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(CCCOC2CCCCC2)C1 699945833 FYMANUUNGOYNII-NVXWUHKLSA-N 263.425 4.836 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(C)ccc3OC)C[C@@H](C1)C2 700385679 NWUONXNPGFEVBC-XYPWUTKMSA-N 271.404 4.550 30 10 CJEE CCSc1cccc(N(C)CC2CC(C)(C)C2)c1C#N 701420431 HXPCHSJFACKLBF-UHFFFAOYSA-N 288.460 4.543 30 10 CJEE C=CCCC(C)(C)CN[C@H](CC)c1ccc(F)cc1 703989171 MTSAFRZFHXIZHF-MRXNPFEDSA-N 263.400 4.859 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1COC[C@@H]1C 705259891 VQEZAPOOYBAWQS-BZSNNMDCSA-N 284.484 4.941 30 10 CJEE CCCCCCCNc1cc(Cl)c(N)cc1C 705966052 SOXIQARQIQXXAO-UHFFFAOYSA-N 254.805 4.613 30 10 CJEE CCCCC1CCC(CCCCCC#N)(C(=O)O)CC1 709479573 DDEXBZYPLPDQBV-UHFFFAOYSA-N 279.424 4.912 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]32)c(Cl)c1 714277416 SYXUXQAAKGTFFX-GZBFAFLISA-N 274.795 4.592 30 10 CJEE CCCCCCCCNCC1C[C@@H]2CC[C@H](C1)S2 716089390 UQMHUAOPJATCNU-MQVJKMGUSA-N 269.498 4.611 30 10 CJEE CCCCCCCCC[C@@]1(O)COC[C@H]1CC(C)C 716294652 XMQXWLKNMOHJTN-IAGOWNOFSA-N 270.457 4.551 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)CC1CCCCC1 720987211 SCNMBUVVFSRWOR-INIZCTEOSA-N 251.458 4.927 30 10 CJEE CC(C)(C#N)CCCCOC1CCCCCCC1 721061463 PZEIXQWVLDEYRT-UHFFFAOYSA-N 251.414 4.836 30 10 CJEE C=CCN(c1ccc(CNC(C)C)c(Cl)c1)C(C)(C)C 723178586 AMGWNNQYBKJPKS-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE 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CCCCCCCCCCCC[C@@H]1CN(CC)C[C@@H]1N 2156904367 CDPQMUIIOXGULR-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CC1(C)CCC[C@](C=O)(Cc2csc(C3CC3)n2)CC1 2157089531 FTIJEUPVCVCRQI-QGZVFWFLSA-N 291.460 4.739 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1cscc1C 2157217472 WDVGQQCZRIYIOS-SJORKVTESA-N 297.508 4.819 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1OCC[C@@H]1C)NCCC 2157328588 HDKCCOVEDIXCFX-KSZLIROESA-N 283.500 4.920 30 10 CJEE C[C@@H](N(C)c1cccc(Cl)c1C#N)C12CCC(CC1)C2 2157593716 QEXLWXZIKVXPES-SFYCDEOASA-N 288.822 4.617 30 10 CJEE C=CCC[C@@H](C)[C@@H](COc1ccc(Cl)cc1)NCCC 2158319526 DNOVYVNITXWHCA-RHSMWYFYSA-N 295.854 4.689 30 10 CJEE C=C1CC(CNCCC)(C[C@H]2CCC[C@H]2C(F)(F)F)C1 2159595338 QRCWVMFDRPHEES-ZIAGYGMSSA-N 289.385 4.691 30 10 CJEE Cc1ccc2c(c1)CC[C@@H]2Nc1cc(C#N)ccc1Cl 2163700650 XTJHQVNCJRYZLN-INIZCTEOSA-N 282.774 4.620 30 10 CJEE C=CC1(CN[C@@H](C)CC(C)(C)c2ccccc2)CCC1 2168006856 CEGYQCPWBHNOJO-INIZCTEOSA-N 271.448 4.689 30 10 CJEE C=CC1(C[C@@H](O)CC23CC4CC(CC(C4)C2)C3)CCC1 2168029557 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CCCCCCCCO[C@@H]1CC[C@@H](NCCC)[C@@H]1CC 2179160510 XLDSJLDEJZCEDK-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2183401953 MMQGBDCNYCFLMM-YDZRNGNQSA-N 275.480 4.765 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@]2(O)C=CCC(C)(C)C2)CC1 2183598441 JUTUEOKAWWNZOY-ZWKOTPCHSA-N 275.436 4.594 30 10 CJEE CCCCCCCCCc1nc([C@@H]2CCCNC2)cs1 2187981779 RKCRNDVNFDETJG-OAHLLOKOSA-N 294.508 4.903 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@H]2CC23CC(F)(F)C3)CC1 2189394654 JEUNLTPUXBYFBQ-CABCVRRESA-N 283.406 4.536 30 10 CJEE CCCCCCCCCCN(C)[C@H]1C[C@H](OC)C1(C)C 2195679817 RHWQXUDCDWQAOK-IRXDYDNUSA-N 283.500 4.872 30 10 CJEE CCCCCCCCCCN1C(=O)C(F)(F)CC[C@@H]1C 2195687866 NJQORRJFEZYKCQ-AWEZNQCLSA-N 289.410 4.773 30 10 CJEE CCCCCCCCCCCCN1CC(CCOC)C1 2195923323 BKPIEIXRIIYAFF-UHFFFAOYSA-N 283.500 4.876 30 10 CJEE C#CC[C@H](CN(C)[C@@H](C)[C@H]1CCCC(C)(C)C1)C1CC1 2196717926 BQZXFUXERARBHG-RYQLBKOJSA-N 275.480 4.573 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCC 2197140722 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C=CCCCCCC[C@]1(O)CCCOC12CCCCC2 2206897764 DAUROVOKEKZBDT-KRWDZBQOSA-N 280.452 4.757 30 10 CJEE C=CCCCCCC[C@H](CCN(CC)CC)NCCC 2206900848 WZJISGWNJBUBNE-GOSISDBHSA-N 282.516 4.613 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H](O)c1sccc1C 2207382541 SRVXVRRJLLWSPX-MRXNPFEDSA-N 294.460 4.966 30 10 CJEE C=CCCCCCCCC[C@H](O)c1cccc(CC)n1 2207416795 YTVNYINIWJDVBL-SFHVURJKSA-N 275.436 4.984 30 10 CJEE C=CCCCCCCCC[C@@H](NN)C1C(C)(C)C1(C)C 2207433062 WANQTGVOTKGATL-OAHLLOKOSA-N 280.500 4.807 30 10 CJEE C=CCCCCCCCCOC1C[C@@H]2CCC[C@H](C1)N2 2207442158 OQPVDJFTOBMOCS-JWTNVVGKSA-N 279.468 4.593 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)C1=CCCCCCC1 2207460311 JTNBBBVIFZQYHE-ZWKOTPCHSA-N 281.484 4.706 30 10 CJEE CC[C@@H](C)C[C@](C#N)(CSC1CCCCC1)NC(C)C 2207582864 DRCUVEKXZZOBNQ-WBVHZDCISA-N 296.524 4.749 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H](C)OCc1ccccc1 2209704611 DICIJIRDPCSTBY-IEBWSBKVSA-N 290.447 4.869 30 10 CJEE C=CCCCCCCCC1(O)CCC(C)(F)CC1 2220081846 JAMSFEAFBAKALO-UHFFFAOYSA-N 256.405 4.936 30 10 CJEE C=CCCCCCCC[C@H](CCP(C)(C)=O)NC 2220088035 XOBHPGGQTPOTRJ-OAHLLOKOSA-N 273.401 4.504 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2cc(Cl)c(C)cc21 2221255851 ISBHTBFTVUSLRN-JTQLQIEISA-N 280.824 4.814 30 10 CJEE C=CCCCCCCCNC[C@@H](F)C1CCCC1 2222397168 YOLMVAPMULSCPZ-MRXNPFEDSA-N 255.421 4.631 30 10 CJEE CCC(=CC(=O)CCCC(F)(F)C(F)(F)F)CC 2223736997 FXRCRQQAPBMXSJ-UHFFFAOYSA-N 272.257 4.670 30 10 CJEE N#C[C@@]1(C/C=C/c2ccccc2)CCCC12CCC2 2226205861 HKOPURHGVVFUEQ-CHHNCHTKSA-N 251.373 4.954 30 10 CJEE C=CCCCCCCC[C@@H](N)c1cccc(F)c1F 2227274294 TXKGLTXVEOHEEW-OAHLLOKOSA-N 267.363 4.881 30 10 CJEE C=CCCCCCCCSC1=N[C@H]2CCCC[C@@H]2N1 2227277626 ZOHBFFDBLHIERA-GJZGRUSLSA-N 280.481 4.517 30 10 CJEE CCCCCCCCCC(=O)c1nc(C)ccc1F 2229668599 SUGZCFHDGRFJIW-UHFFFAOYSA-N 265.372 4.853 30 10 CJEE OC1(C#Cc2ccc(Cl)cc2)CCCCCCCC1 2231012123 TYCDGOYWVYQRLA-UHFFFAOYSA-N 276.807 4.557 30 10 CJEE C=C[C@@H](CCCCC)O[C@H](C)CCCNC(C)(C)C 2231017765 GAEZXOPICHVRNB-CVEARBPZSA-N 269.473 4.695 30 10 CJEE O=C(C=C1CCCCC1)CCCC(F)(F)C(F)(F)F 2231769467 IKAKDUOTSZQRFH-UHFFFAOYSA-N 284.268 4.814 30 10 CJEE CCc1cc(Cl)ccc1Nc1ccc(C)cc1C#N 2231796266 KGQKUKPPCLXUDE-UHFFFAOYSA-N 270.763 4.826 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](C2CCCC2)CO1 2231855607 LFTWAOLDZHOQIU-IAGOWNOFSA-N 267.457 4.632 30 10 CJEE C#CC1CCC(N[C@H](C)CCCCCCCC)CC1 2231940895 NPLQWSPNMCWUAP-WWDZGPRUSA-N 263.469 4.907 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](C)c1ccccn1 2231945077 BUUICDSZHQFCTD-CVEARBPZSA-N 262.441 4.871 30 10 CJEE C=CCCCC[C@@H](CC1CC(OC(C)(C)C)C1)NCC 2232953873 PRYAKJIHIXCZGE-CGZBRXJRSA-N 281.484 4.695 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1OC[C@H]2CCCC[C@H]21 2233391660 PWRDKSPCEYOPEK-XLMAVXFVSA-N 275.436 4.692 30 10 CJEE CN(CC1C[C@H]2CCC[C@H](C1)C2)C[C@@H](CS)C(C)(C)C 2233543424 MTVKQMUEVIAGQK-ZOBUZTSGSA-N 297.552 4.727 30 10 CJEE C=CCCCCCCCC(=O)[C@H](CN)CC1CCCC1 2235520968 FDMMUJHVSJCBPA-KRWDZBQOSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCC[C@H](NN)[C@H]1CC12CCCCC2 2235524766 TUQDTXZWZSSJMU-SJORKVTESA-N 278.484 4.705 30 10 CJEE C=CCCCCCCC[C@@](O)(CC)c1ccc(F)cn1 2235532426 KJWHBDJTCAERRF-KRWDZBQOSA-N 279.399 4.735 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1oc(CC)nc1C 2235533797 CUBHTCHUBVMGQP-OAHLLOKOSA-N 278.440 4.723 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](C)(O)c1csc(C)c1 2235541047 DEEMRKQPAVLEKO-IRXDYDNUSA-N 295.492 4.508 30 10 CJEE CCCCCCCCn1c(=N)[nH]c2ccc(F)c(Cl)c21 2235700794 YKMPTYQZNQSSFL-UHFFFAOYSA-N 297.805 4.602 30 10 CJEE CN(CC1(C#N)CCCC1)[C@H]1CCC[C@@H](C(C)(C)C)C1 2238158508 RNNOEISCHBMLCX-CVEARBPZSA-N 276.468 4.607 30 10 CJEE Cc1cccc(N[C@H]2CCC[C@@H](C(C)(C)C)C2)c1C#N 2238160684 AQCWCSGCTSSHLH-CABCVRRESA-N 270.420 4.884 30 10 CJEE CCCCCCCCCOCC(F)(F)CNC1CCC1 2239468757 QKDIRMFCKWPUAG-UHFFFAOYSA-N 291.426 4.531 30 10 CJEE CCCCCCCCCOCc1ccc(CN)c(F)c1 2239487937 VKELOYWEYGDHAO-UHFFFAOYSA-N 281.415 4.552 30 10 CJEE CCCCCCCCCOCCNCc1ccc(C)s1 2239491453 AKQIFLJRFTZMGG-UHFFFAOYSA-N 297.508 4.913 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](N)(C#Cc2cccc(Cl)c2)C1 2239579905 XATUIAONMPGQBV-CRAIPNDOSA-N 289.850 4.625 30 10 CJEE CC1(C)CCC[C@@]1(C=O)Cc1ccc(C2CCC2)cc1 2240253506 BNXPVNMJPSFULD-IBGZPJMESA-N 270.416 4.892 30 10 CJEE C=C1C[C@H]2CC(Nc3cnn(C(C)C)c3Cl)C[C@@H](C1)C2 2240593063 RKUPSPPVZQLLGL-PBWFPOADSA-N 293.842 4.664 30 10 CJEE CCCCCCCC[C@](C)(N)c1ccc(OC)cc1C 2240628653 NHLLRQTXYSXUIJ-SFHVURJKSA-N 277.452 4.928 30 10 CJEE C=CCCCCCCCS[C@H](C)CNCCC 2250063414 VGNAJOXMRBHICM-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C=C1CCC(CC(=O)c2csc(C3CC3)c2)CC1 2256083717 FGBBDLFBLSMAMI-UHFFFAOYSA-N 260.402 4.945 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnc(C)s1 2257454418 QEDFUJYENDXUTH-HNNXBMFYSA-N 268.470 4.766 30 10 CJEE C=CCCCS[C@@H]1CCCCCCC[C@H]1NCC 2258989309 ROTYWRFNUJMFIZ-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=CCCCSc1c(F)cccc1[C@H](C)NCC 2259050987 HXORLWYKWOVUDB-LBPRGKRZSA-N 267.413 4.555 30 10 CJEE C=CC[C@@H](CC)NCc1sc(C(F)(F)F)cc1C 2263326950 ARYPPYNLJSBGJE-SNVBAGLBSA-N 277.355 4.520 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C[C@H]2CCCC23CC3)CC1 2266704016 RTNOYOHMMIQDER-GOEBONIOSA-N 260.421 4.908 30 10 CJEE 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289.181 4.873 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnc(Cl)n1C 696430706 UFFXLIOVWTURKU-AWEZNQCLSA-N 299.890 4.865 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@H](C)CCN 697033023 WXXCPJZKCHWLSP-IRXDYDNUSA-N 271.489 4.643 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(CCCOC2CCCC2)C1 699954488 HYVXGCVFNYLYBE-WBVHZDCISA-N 263.425 4.836 30 10 CJEE CCCCCCCCCCNC[C@H]1CCC[C@@H](C)O1 701510999 GGKZPVXBIHWAEB-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE C#C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)C(C)(C)C 702267867 UGHLVTBIJVUUMX-QMTHXVAHSA-N 284.230 4.692 30 10 CJEE CCCCCCCCCCNCc1cncc(Cl)c1 702695304 OESPAJZKPIXDBS-UHFFFAOYSA-N 282.859 4.965 30 10 CJEE CCCCCCCC[C@@]1(N)CSCC(C)(C)C1 704828897 NDQXRHSYBDNDEE-HNNXBMFYSA-N 257.487 4.598 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cc(F)cc(C#N)c1 705913646 SAPAALHOQQZKLB-CSMYWGQOSA-N 274.383 4.570 30 10 CJEE CCCCCCCCC[C@H]1C[C@H]2CC[C@@H](N2)[C@H]1C 709473823 GMRCVVRTDDQDLC-MWDXBVQZSA-N 251.458 4.904 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCN1CC 712612755 CESHNZQDALGHNK-GOSISDBHSA-N 282.516 4.591 30 10 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CJEE CCCCCCCC[C@@H](N)c1ccn(CCCCC)n1 2285064915 MDIYYFLKDIDPQZ-MRXNPFEDSA-N 279.472 4.824 30 10 CJEE C=CCCCCCCCSc1ccc2c(n1)CCC2=O 2287080024 XPIJLBXIDCFEAC-UHFFFAOYSA-N 289.444 4.829 30 10 CJEE C=C[C@@H](C)CCN(C)Cc1cc2ccccc2nc1Cl 2288916814 UELQXIVECYYHNC-CYBMUJFWSA-N 288.822 4.532 30 10 CJEE CCCN[C@H](C#CC1CCCC1)[C@H]1C(C)=CCC[C@H]1C 2289613442 AMPKCBOUNPQCQF-QRQLOZEOSA-N 273.464 4.541 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1ccc(C)cc1C 2289858345 ANROGIUCHLNRKK-LJQANCHMSA-N 269.432 4.538 30 10 CJEE CC(C)(C)CC1CC(CNCC2(C#N)CCCCC2)C1 2290039666 OHNBYLJPLXSNFG-UHFFFAOYSA-N 276.468 4.512 30 10 CJEE C#C[C@@H](N[C@@H]1CC(C)(C)CCC1(C)C)C1CCCCC1 2290262478 IZBZWWRNWNSPAK-IAGOWNOFSA-N 275.480 4.763 30 10 CJEE CCCCCCCC[C@](C)(OCC(=O)O)[C@H]1CC1(C)C 2290610306 YWVCBNACAWYYEV-YOEHRIQHSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@](C)(OCC(=O)O)C(C)(C)CC 2292423632 BKXKFUCDFWGETI-QGZVFWFLSA-N 284.440 4.809 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)[C@H]1CCC[C@H](C)C1 2292768697 MCRXDCNGESSUPQ-BZSNNMDCSA-N 281.484 4.683 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCC(C)=C1C 2292788559 XSXKNVTZGQZYHV-GOSISDBHSA-N 279.468 4.747 30 10 CJEE CCCCCCCC[C@H](CC1CC(C)(C)C1)OCCN 2293107968 WZTZCWDVFCEEOX-QGZVFWFLSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H]1[C@@H](C)[C@H]1C)OCCCN 2293183701 RMKGNSQCLFHDJG-MLHJIOFPSA-N 283.500 4.763 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1cc(C)ns1 2293239830 GIOAUXGLHOWZHU-OAHLLOKOSA-N 298.496 4.609 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)c1occc1C 2293775145 BVSKWODKYLFPDF-MRXNPFEDSA-N 279.424 4.521 30 10 CJEE CC=C[C@@H](NCCC)[C@@](C)(O)CCCCCCCCC 2295682362 PKOPJSNIHANVLH-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@@H](C)C(=O)NC12CCC2 2295687226 RTENQBXWZWVTFA-RDJZCZTQSA-N 279.468 4.822 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc(CCC)s1 2300610597 JNRLPJUZPDGJNM-JSGCOSHPSA-N 251.439 4.563 30 10 CJEE N#CC[C@H]1CC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2301310863 GYTMGDRRQXSPEI-GMSGAONNSA-N 290.577 4.781 30 10 CJEE C=C[C@H](C)CN[C@H](C)c1ccc(Cl)c(C)c1Cl 2307613660 OGTGYLDNZGAJMW-GXSJLCMTSA-N 272.219 4.775 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H]1CCC[C@@H]2C[C@H]12 2308633210 MPOZZSMANMVTCN-NCOADZHNSA-N 251.458 4.761 30 10 CJEE N#Cc1ccc(C=CC(=O)c2cc3ccccc3s2)s1 2310467517 IFYNCCORWPISCN-UHFFFAOYSA-N 295.388 4.731 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)CC(F)(F)F 2313538146 WQHFPXLWYUZRLQ-GOSISDBHSA-N 285.375 4.512 30 10 CJEE C=CC[C@H](C)Sc1cccc(Cl)c1CNC1CC1 2313694700 HLHJJSMZKXFWME-NSHDSACASA-N 281.852 4.649 30 10 CJEE CCCCCCCCCC[C@H]1CCC2(CNC2)C1 2317575070 AEQJNWPNCINPTR-INIZCTEOSA-N 251.458 4.907 30 10 CJEE C[C@H]1CCCC[C@@]1(C=O)CCC1(C(F)(F)F)CC1 2321553294 VARKKILTFHFCOJ-RYUDHWBXSA-N 262.315 4.505 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2cc(F)c(Cl)cc2Cl)O1 2325175626 OSQBDTWVHAUYBK-QWHCGFSZSA-N 288.149 4.656 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2332235280 IKOIRLHGDKQUEK-NXBFSHDWSA-N 263.469 4.760 30 10 CJEE CCCC#C[C@H](NCCC)c1ccc(F)c(C)c1Cl 2338552827 WTJNPFZAAHYNBS-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE CCC#CC[C@H](NCCC)c1ccc(F)c(C)c1Cl 2338777117 ZILMPEFCXUTEPE-HNNXBMFYSA-N 281.802 4.632 30 10 CJEE N#Cc1cc(Cl)ccc1OCCCC1=CCCCC1 2340995501 UKLBQNGKGZXCKY-UHFFFAOYSA-N 275.779 4.871 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)ccc1C1CC1 2341788038 IYILKJSNIJUZBQ-SJKOYZFVSA-N 261.384 4.566 30 10 CJEE C=CCCC(C)(C)NCCCCC(F)(F)C(F)(F)F 2342298162 RXCGDJDYBYNYSM-UHFFFAOYSA-N 287.316 4.689 30 10 CJEE CCCCCCCCCC(=O)C1(C(C)(C)OC)CC1 2343573531 RNBYWRAXBRBHFJ-UHFFFAOYSA-N 268.441 4.901 30 10 CJEE CC#CCCCC[C@@H](N)c1cccc(C2CCC2)c1 2343780500 FYSLLRXBLVIHGF-GOSISDBHSA-N 255.405 4.538 30 10 CJEE C=CCCCCCCC=C1CCCN[C@H]1C(F)(F)F 2344161196 CVBWKWDNOOKUQQ-CQSZACIVSA-N 275.358 4.754 30 10 CJEE C=CC[C@@H](C)[C@@H](CCCCC(F)(F)C(F)(F)F)NC 2344343374 OISNQGJCUPHKGV-GHMZBOCLSA-N 287.316 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCc1ccccc1)NCC 2344344835 UIBVLJSBVKLHSZ-ROUUACIJSA-N 259.437 4.590 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@]12CCC[C@H]1C2)NCCC 2344372885 WGQRHXNEAMKNOU-XSLAGTTESA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccc(OC)s1 2344382998 ZCMHZJOBPUKZRM-HOTGVXAUSA-N 281.465 4.790 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(F)cc1SC 2353818582 LCNRGSIQJNGBNJ-MLGOLLRUSA-N 281.440 4.801 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H](C)[C@H]1CCC[C@@H](C)C1 2353838379 TVIVFEWNRZEIIE-NCOADZHNSA-N 285.541 4.725 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@@H](Nc1cc(Cl)ccc1C#N)C2 2354151007 PLGSQFYFBRNSSC-UNEWFSDZSA-N 288.822 4.982 30 10 CJEE CCCC[C@H](CC)COCCCOc1cccc(C#N)c1 37138746 VXUWICRVDPZLCK-INIZCTEOSA-N 289.419 4.560 30 10 CJEE N#C[C@@H](C(=O)CCC1CCCC1)c1c(F)cccc1Cl 37344741 RBCHLMIULJIBDA-LBPRGKRZSA-N 293.769 4.626 30 10 CJEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 51635822 ULIVPYKYDMUHGV-MRVPVSSYSA-N 280.755 4.585 30 10 CJEE N#C[C@@H](CCOc1cccc2ccccc12)c1ccccc1 57684409 YPWPHYMGHXWYDT-GOSISDBHSA-N 287.362 4.916 30 10 CJEE Cc1ccc(Nc2nc3ccccc3cc2C#N)c(Cl)c1 71389757 GPMIEAXNCLEAFH-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE C[C@@H]1CCCCC[C@@H]1Nc1cccc(Cl)c1C#N 88513318 CFZVGCDDVUEVOS-RISCZKNCSA-N 262.784 4.592 30 10 CJEE CC(C)COc1ccc(C2(C#N)CCC(C)CC2)cc1 88691787 ITDGKLVDDGFAOH-UHFFFAOYSA-N 271.404 4.693 30 10 CJEE CC(C)C1CCC(C#N)(C2(O)C[C@H](C)C[C@@H](C)C2)CC1 91886909 FKFTWDDSTQYURV-NUWOQIAWSA-N 277.452 4.530 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(C2CC2)cc1 94521350 WFSAGMIZVYCOLS-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE CCC(CC)[C@@H](C#N)Sc1ccccc1Br 94674695 WGAFTMACADLQMR-CYBMUJFWSA-N 298.249 4.870 30 10 CJEE C#CCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 96776094 KEDQPFSOQFOWCO-UHFFFAOYSA-N 288.394 4.634 30 10 CJEE CC[C@H]1CCC(=O)N(CCCCCCCCCS)CC1 97799992 FFRNNACNJPHGRN-INIZCTEOSA-N 299.524 4.686 30 10 CJEE CCCCCCCCCCNC(=O)/C=C\c1ccc(C)o1 102235376 FUGRPPVKFCDLRZ-YPKPFQOOSA-N 291.435 4.858 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(C(F)(F)F)ccc1OC 107474210 MXLBBSVNRIFQLY-NEPJUHHUSA-N 284.321 4.867 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(CC)c(Br)c1 107478256 FWIXUEZIOXBUFL-NEPJUHHUSA-N 279.221 4.774 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)c(F)c(F)c1 109730206 AJGUDOCOBCAHAH-CQSZACIVSA-N 273.342 4.854 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1C[C@@H]1c1ccccc1 109941158 QFFHWJVGBDFPCP-CGTJXYLNSA-N 259.437 4.881 30 10 CJEE CCCCCCC[C@H](NCCC)c1ccc(C)o1 110226896 SUFKBHMUVRPXMT-HNNXBMFYSA-N 251.414 4.989 30 10 CJEE N#Cc1ccc(NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 110251192 QMNVTVVEEZFBEY-UHFFFAOYSA-N 286.806 4.592 30 10 CJEE CCCCCCCOc1ccc(Cl)cc1C[C@H](N)CC 111235733 GUDDUPCHDXIQTH-MRXNPFEDSA-N 297.870 4.969 30 10 CJEE CCCCCCCn1ccc2c(C[C@H](C)N)cccc21 112985373 LYPJAXUMGCTLCL-HNNXBMFYSA-N 272.436 4.501 30 10 CJEE CCCCCCCCCCCCNCCN(CC)CC 113009861 WQVYCQZGKMKEQG-UHFFFAOYSA-N 284.532 4.839 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](C)OCC 113051150 APQFYXYRQNTAEI-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@]1(C(=O)O)CCc2ccccc2C1 116258098 WTMBFAZRXWSJKM-GOSISDBHSA-N 274.404 4.607 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@](C)(CC)N1CCCC1 118159891 QTSRGOOSPBGQKL-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H](CC)OC 124449264 VKYWCHIARGFKBW-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE N#Cc1ncccc1Nc1cc(Cl)c(Cl)cc1Cl 129817885 BHVIBBGQCCEAKP-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCc2cc(N)ccc21 131839154 MJBYDDSAJOKTTH-LJQANCHMSA-N 289.463 4.933 30 10 CJEE Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)s2)c1C 134959698 UTSBLRMHCYLYJS-KGLIPLIRSA-N 284.428 4.648 30 10 CJEE CCCCCCCCCC[C@H](O)CCOCCC 135557993 AQUOFSAVPXBZAX-INIZCTEOSA-N 258.446 4.695 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1ccc(F)cn1 147764823 BLGMXTCBJNTXHA-GFCCVEGCSA-N 288.391 4.672 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] 148958845 ZCDHNTIWPSIFPC-LBPRGKRZSA-N 282.359 4.895 30 10 CJEE CCCCN(CCCC)c1ccc(C(F)(F)F)c(C#N)c1 164403766 GMGZNAPAYNEZIY-UHFFFAOYSA-N 298.352 4.984 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)c1ccccc1 219677965 IUZIPYXMIPELRF-GOSISDBHSA-N 276.468 4.591 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@H]1CCc2cccnc21 229818352 OSMNTFYQMILOLY-QZTJIDSGSA-N 288.479 4.840 30 10 CJEE CCCCCCCCCO[C@@H]1CNc2ccccc2C1 230218380 SBSWZTMEPDKKHR-KRWDZBQOSA-N 275.436 4.790 30 10 CJEE CCCCCCCCCCN[C@@H](C)C1CCOCC1 232952655 NTCISGDTGZJHBD-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@H](N)c1ccoc1Br 232954029 ASELNFMRWSGTHP-LBPRGKRZSA-N 288.229 4.793 30 10 CJEE CCCN[C@](C#N)(CC)CCCS[C@@H]1CCC[C@@H](C)C1 233191860 UUCJXGYMRAWTAD-BRWVUGGUSA-N 296.524 4.750 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCCC[C@H]2C)C1 251153028 NEZWTSZWFGVRRN-DUQPFJRNSA-N 276.468 4.605 30 10 CJEE CCCCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1 311467576 XNVPMOXFACIXEW-UHFFFAOYSA-N 285.771 4.988 30 10 CJEE N#Cc1cc(F)cc(OCc2cc(Cl)ccc2Cl)c1 311467597 XOGOLJVIOHKXQO-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCC[C@H]1COC(C)(C)[C@@H]1NCCC 311705537 TULSQXICLXKEID-JKSUJKDBSA-N 269.473 4.530 30 10 CJEE Cc1cc(N2CC[C@@H](C)c3ccccc32)ccc1C#N 312344207 HCHAIWXHGRWVJM-CYBMUJFWSA-N 262.356 4.512 30 10 CJEE C=CCCCCCCNc1ccc(N)c(C(F)(F)F)c1 380441446 CDGOZHCYODMSPL-UHFFFAOYSA-N 286.341 4.836 30 10 CJEE CCCCCCCCCCC(=O)[C@@H](C)CCOC 386076970 DLHDCQLVTQJSHR-HNNXBMFYSA-N 256.430 4.759 30 10 CJEE C=C(COC(C)C)[C@H](NCC)C1CCC(CCC)CC1 387634964 VJFXRKBMFOVBGT-ABHNRTSZSA-N 281.484 4.552 30 10 CJEE C=CCC(C)(C)CNC1CC(c2ccc(Cl)cc2)C1 389414931 MCYSTEOODDIBFP-UHFFFAOYSA-N 277.839 4.778 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(C(C)C)cc1 396617303 ADVKBMGVYYOCTQ-OWBHPGMISA-N 286.224 4.845 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@@H](C#N)C1CCCC1 397121845 IPMCGSWNWOCZNU-GOSISDBHSA-N 278.484 4.711 30 10 CJEE CC(C)(C)c1ccc(NC[C@@H](C#N)C2CCCC2)cc1 397233973 WYZAEYSINKNJNY-OAHLLOKOSA-N 270.420 4.726 30 10 CJEE O=C(C1=CCCC1)c1cc(C(F)(F)F)ccc1Cl 406039464 SGYUKMKYOJJBPT-UHFFFAOYSA-N 274.669 4.652 30 10 CJEE C=CCC(CC=C)C(=O)Nc1sc2c(c1C)CCCC2 467531472 XAZLQFXBAUOFEL-UHFFFAOYSA-N 289.444 4.642 30 10 CJEE C=CCCc1ccccc1NC(=O)NC(C)(CC)CC 505037954 GPCUOMOTSCCCOS-UHFFFAOYSA-N 274.408 4.505 30 10 CJEE C#CCCCCC[C@H](NCCC)C1C(C)(C)C1(C)C 686691216 PPTRDYQZUSYRGQ-HNNXBMFYSA-N 263.469 4.621 30 10 CJEE C=C(C)CCC1(CNC)CC(C)(C)CC(C)(C)C1 687972594 ITDOGCJEGIXNKU-UHFFFAOYSA-N 251.458 4.785 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1CCCOC1)NCC 689484545 MEKUHSIXFZJWAG-SJORKVTESA-N 269.473 4.532 30 10 CJEE CC(C)(C)C1CCC(CCCCCC#N)(C(=O)O)CC1 691695437 DNXMSXYDFIPLLD-UHFFFAOYSA-N 279.424 4.768 30 10 CJEE CC(C)[C@H](CS)CN(C)C1CC(C)(C)CC(C)(C)C1 693054906 SGQBYWIANIBTTC-AWEZNQCLSA-N 285.541 4.725 30 10 CJEE N#Cc1c(Cl)cccc1N[C@H]1CCC12CCCCC2 693840282 LVFRRXLBFFKBBT-HNNXBMFYSA-N 274.795 4.736 30 10 CJEE C[C@@H](CCS)CCN(C)C1CCC(C2CCC2)CC1 695814626 IVPPXBLEHWROSH-ODIFPOPNSA-N 283.525 4.623 30 10 CJEE Cc1cc(O[C@@H](C)CC(C)(C)C#N)cc(C)c1Cl 695864747 ODEJDHGMIHHZTM-LBPRGKRZSA-N 265.784 4.664 30 10 CJEE CCCCCCCCN[C@H]1CCCC[C@@H]1C1CC1 696129462 AYENFSQJOQKYEY-SJORKVTESA-N 251.458 4.905 30 10 CJEE CC(C)CC[C@@H](C)/N=C1/NC2(CCCCCC2)CS1 713183574 YIXIDJOSKBESCU-CQSZACIVSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cscc1C(F)F 717194921 UTRSNONJHCYQFB-MFKMUULPSA-N 273.392 4.939 30 10 CJEE C=CCCC(C)(C)Nc1c([N+](=O)[O-])ccc(Cl)c1C 717667977 UGKPECRQLJYSTI-UHFFFAOYSA-N 282.771 4.713 30 10 CJEE C[C@H]1CC([C@@H](C#N)SC2CCCC2)C[C@H](C)C1 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2280442103 NCBCFUVVVCNBLI-UHFFFAOYSA-N 268.335 4.566 30 10 CJEE CCCCCC#CC[C@H](NC)c1cccc(OC)c1Cl 2283304416 OQCKKYDJLKUFEZ-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE CCCCCCCCOC[C@H](NCC)[C@@H]1CC12CCC2 2283691788 VLSXXIOGHLZMBJ-IRXDYDNUSA-N 281.484 4.532 30 10 CJEE CCCCCCCCCC(=O)[C@](C)(O)[C@@H]1CC12CCC2 2283771637 KNPSSITXUXLFBX-DOTOQJQBSA-N 280.452 4.637 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCC[C@@H]1CNC(C)(C)C 2284083320 FITOTEDWWVKTLF-IAGOWNOFSA-N 275.480 4.787 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@]1(C)COC)NCC 2284650873 QMJCVZLASCLYGI-KSZLIROESA-N 283.500 4.778 30 10 CJEE C=CCCCCCCCSc1ccncc1C[C@H](C)N 2287096547 MEZUSVHJMUXDSR-HNNXBMFYSA-N 292.492 4.590 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C=O)CCOCC1(C)C 2287908951 BHPJMTXRWWUFHO-WMZOPIPTSA-N 282.468 4.861 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(F)c(Cl)c1 2289711508 ISHXJZRXSZUOGC-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)[C@@H](CC)CC(F)(F)F 2289782902 DTEQGJBVPFLMEW-GJZGRUSLSA-N 289.385 4.527 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)C(C)(C)CC(F)F 2289855644 UKZTUERYEKNZRN-HNNXBMFYSA-N 285.422 4.620 30 10 CJEE C(#CC1CCCC1)C[C@@H]1CCCCC[C@H]1CNC1CC1 2289873702 FZUIPJLHTJGVRH-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CC(C)(C)c1ccc([C@H](O)CC#CC2CCCC2)cc1 2289925496 VQMLUHJNUCJKSS-GOSISDBHSA-N 270.416 4.601 30 10 CJEE CCCCCCC[C@@](C)(CC1CC(C)C1)OCC(=O)O 2291167514 NTKCVJNIIZRJDY-DQPZFDDXSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@H](C[C@@]1(C)C[C@@H]1C)OCC(=O)O 2291493151 FVVFKMRIYVJDLW-ZMSDIMECSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@@H](CC(CC)CC)OCCC(=O)O 2291769769 XZFRNPBOHLTWAS-INIZCTEOSA-N 284.440 4.809 30 10 CJEE C=CCCCCCCC[C@@H](OCCCN)[C@H]1CC1(C)C 2292647208 NSJYDOMCIPVCLX-IAGOWNOFSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCC[C@](OCCN)(C(C)C)C(F)F 2292655697 NWTZTVDXFITSBF-INIZCTEOSA-N 291.426 4.538 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@@H]1CC=CCC1 2293412267 AIGIMAUXNQEKME-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@H](CC(C1CC1)C1CC1)OCCN 2294099402 QQKWVQOYYHJVMD-QGZVFWFLSA-N 281.484 4.517 30 10 CJEE C=C1CCC(C[C@@H](OCCCN)[C@H](CC)C(C)C)CC1 2294119328 FRPFUQWCULKVPK-QZTJIDSGSA-N 281.484 4.539 30 10 CJEE Cc1ccc(C(=O)C=Cc2sccc2C)c(C)c1 2294300147 XAUJEWZDZJTWPO-UHFFFAOYSA-N 256.370 4.569 30 10 CJEE CCCC[C@H](C)[C@@H](C#Cc1ccccc1Cl)NCCC 2295222497 TYOYMXLHCTXWPR-MAUKXSAKSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@H](C)[C@H](N)[C@@H]1C 2295540319 FIZAFYWXOGPLHS-XSLAGTTESA-N 282.516 4.573 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](NC)c1cccs1 2295678828 KBKIFXPGNCLVSA-IAGOWNOFSA-N 297.508 4.900 30 10 CJEE CCCCCCS[C@@H]1CC[C@@H](C)[C@@](C#N)(NC2CC2)C1 2295761865 RICPBVFIFIIUEB-DJIMGWMZSA-N 294.508 4.503 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1c(Cl)cccc1Cl 2302841424 BGEQOGVIWQXQAF-YGRLFVJLSA-N 270.203 4.610 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cscc1C 2304027329 HSFABSGKYZSXFV-HUUCEWRRSA-N 251.439 4.700 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cc(C(F)F)cs1 2304050680 ZXKIUHYFVLXJDC-YPMHNXCESA-N 259.365 4.678 30 10 CJEE C=CCC[C@@H](C)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2306253272 CWFRRXBSZQXTRY-AMIZOPFISA-N 277.166 4.768 30 10 CJEE CCC[C@@](C)(C=O)C[C@@H]1C[C@H]1C1CCCCCC1 2311589996 BQVDTMRNKDBRKO-YESZJQIVSA-N 250.426 4.988 30 10 CJEE C=C(C)C[C@H](CC1CCC(CCC)CC1)NCC 2319293319 ONPRZWVETFWLKO-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC[C@@H]1C(C)(C)C)NCC 2321105595 QNDWMSLKNLGXJZ-VGWMRTNUSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C)CC(C)(C)C1)NCC 2321133984 KPQUJTULLYHANN-CQSZACIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1cccc(Cl)c1C 2321147614 JBEGKCIPVJNIGH-CVEARBPZSA-N 265.828 4.511 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](C(C)C)CC[C@H]1NCCC 2335098203 HKJOAHHGHDFJNR-MWDXBVQZSA-N 283.525 4.877 30 10 CJEE C=CCC(CC=C)Sc1ccc(F)cc1[C@@H](C)NC 2335233417 YODMCMSLMIMKMQ-GFCCVEGCSA-N 279.424 4.719 30 10 CJEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cccc(Cl)c21 2337150337 CNLXHDYJZMFCEK-GWCFXTLKSA-N 292.835 4.896 30 10 CJEE CCCN[C@H](CC#CC1CCC1)c1ccc(Cl)cc1 2337580542 OFSQIODMMFLDJC-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE C=CC1(C[C@@H](NC)[C@@H]2C[C@H]3CCC[C@H]2CC3)CCC1 2338674584 QPJBIBQFAHDEAT-MWDXBVQZSA-N 261.453 4.537 30 10 CJEE C#CCCCCCCN[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1 2338815646 ZZIWBFFGWCZBEW-KSZLIROESA-N 261.453 4.519 30 10 CJEE C=CCC(CC=C)[C@@H]1CCCc2ccccc2C1=O 2338858328 QUSUPFAFSXNXAE-KRWDZBQOSA-N 254.373 4.590 30 10 CJEE Cc1c(F)ccc(C[C@]2(C=O)CCCC[C@@H]2C)c1Cl 2339316390 LMVCCIJFIUAHAO-ZBEGNZNMSA-N 282.786 4.725 30 10 CJEE CCC(=CC(=O)CC(C)(C)Cc1ccccc1)CC 2339449120 ABWFIBFXTFUGME-UHFFFAOYSA-N 258.405 4.961 30 10 CJEE CCCN[C@@H](CC#C[Si](C)(C)C)CCCCC1CC1 2341407314 QIBUEZBOZFIWKU-QGZVFWFLSA-N 279.544 4.596 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2341898059 QROMQEUFEHYKSJ-ATIWLJMLSA-N 261.453 4.537 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccc(COC)s1 2342053087 HCTUHBBBEXBGKQ-OAHLLOKOSA-N 281.465 4.811 30 10 CJEE C=CCCCC(=O)[C@@H](c1ccccc1)C1CCCC1 2342368280 PFZFACVXTPKDPF-SFHVURJKSA-N 256.389 4.886 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H]2CC[C@@H]2C(C)(C)C)CC1 2343200825 DAPOZGYBNIUBHQ-IKGGRYGDSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(C)cccc1C 2344343474 DMJJLSIENJHJOR-ZWKOTPCHSA-N 259.437 4.946 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C#CC1CCCCC1)NCC 2344385441 PPGCPAOGVTVXIE-QZTJIDSGSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)Cc1cc(C)cc(C)c1C 2344460072 NZBUYEGBEANRLR-MSOLQXFVSA-N 260.421 4.508 30 10 CJEE CC(C)[C@@H]1CCCCN(C[C@@](C)(CS)C(C)(C)C)C1 2352088184 ZFERAARMGQNSAI-WBVHZDCISA-N 285.541 4.727 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@H](CC)C1 2352213798 DAUKKQXKVMCXBL-XJKSGUPXSA-N 282.449 4.664 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H](C)C[C@H]2C)ccc1C#N 2353830452 LFGSDLKFQQQINI-YWPYICTPSA-N 274.433 4.517 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1[C@@H]2CCCC(F)(F)[C@@H]21 2355162087 IFMZGVZMLRKZQL-JONQDZQNSA-N 285.422 4.782 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)[C@@H]1C[C@H]1C1CCCCCC1 2357716581 ACABXDHERXEQSL-KSZLIROESA-N 275.480 4.621 30 10 CJEE C=CCC(CC=C)O[C@@H]1CCCCCCC[C@H]1NCC 2360209580 GCIFDMSTTXWPFG-QZTJIDSGSA-N 279.468 4.615 30 10 CJEE C=CCC(CC=C)S[C@@H](c1cccc(F)c1)[C@@H](N)CC 2360333086 HWCOHJPHBFYTHX-IRXDYDNUSA-N 293.451 4.858 30 10 CJEE CC/C(=N\O)c1ccccc1OCc1ccc(Cl)cc1 21016264 VQJIDGFMLNMLBI-OBGWFSINSA-N 289.762 4.507 30 10 CJEE N#Cc1cc(NC2CCCCCCC2)ccc1Cl 36972918 QYIOOWGEVFMERH-UHFFFAOYSA-N 262.784 4.736 30 10 CJEE CC(C)CS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37156410 IBPXRZKPXWKCLO-GVDBMIGSSA-N 273.445 4.852 30 10 CJEE C=CCSc1ccccc1NCc1c(F)cccc1F 37766321 MOGVYERCJBSFDT-UHFFFAOYSA-N 291.366 4.855 30 10 CJEE O=C(/C=C/c1c[nH]c2ccccc12)c1cccc(Cl)c1 38980659 HGYNLUMHWGJGBO-CMDGGOBGSA-N 281.742 4.717 30 10 CJEE Cc1cccc([C@@H](C#N)Nc2ccc(Cl)cc2)c1C 43315129 DGOGWNNECNNDTJ-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc2ccccc2c1 54825160 GJRTWBBGWZIJSZ-WMZOPIPTSA-N 264.372 4.724 30 10 CJEE C=CCC[C@H](Cc1c(C)cc(C(C)(C)C)cc1C)NC 71276610 PJAIKAXHUUSDDQ-QGZVFWFLSA-N 273.464 4.698 30 10 CJEE N#Cc1cc2ccccc2nc1Oc1cccc(Cl)c1 71390561 CYYAHSCMNGVCMK-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE C/C(=C\c1ccccc1)CCCNc1cccc(C#N)c1 76287939 XLGNGSJMNMYZKO-DTQAZKPQSA-N 276.383 4.854 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C(C)(C)C)CC2)C1 79342229 DNUIUOBTOCKZER-ZJPYXAASSA-N 290.495 4.853 30 10 CJEE Cc1ccc(C#N)c(N2CCC[C@@H](C(C)(C)C)CC2)c1 79343806 KSAZATMASPOSSZ-MRXNPFEDSA-N 270.420 4.519 30 10 CJEE Cc1ccc(F)c(Oc2ccc(C(F)(F)F)cc2C#N)c1 85555680 OGSVQRABLMNGFW-UHFFFAOYSA-N 295.235 4.817 30 10 CJEE N#Cc1ccc(Sc2ccc(Cl)c(Cl)c2)c(N)c1 88303614 JNNZYESKZAFPHX-UHFFFAOYSA-N 295.194 4.598 30 10 CJEE Cc1ccc(OCC2(CS)CCCCCC2)cc1 94583536 OEIHMKAQEQFUIL-UHFFFAOYSA-N 264.434 4.644 30 10 CJEE C=CC[C@H](CC)c1ccc(OC)c(Br)c1 107512184 ZFGNJBKCLOGVIV-JTQLQIEISA-N 269.182 4.527 30 10 CJEE CCCCCCCO[C@@H](CC)[C@@H](CCC)NCCC 110081296 ARSNYOUBZKATOV-SJORKVTESA-N 271.489 4.920 30 10 CJEE C=C(C)COc1c([C@H](C)NCCC)ccc2ccccc12 110094167 RUKKLJOESJOCOZ-HNNXBMFYSA-N 283.415 4.855 30 10 CJEE CCCCCCCCO[C@@H](CN)c1ccc(Cl)cc1 112964855 XKTOLNQKRDSAPS-INIZCTEOSA-N 283.843 4.717 30 10 CJEE CCCCCCCCCCCC(=O)N[C@@](C)(C#N)CC 115857467 SXPNPRBHZIKGDP-QGZVFWFLSA-N 280.456 4.716 30 10 CJEE CCCCCCCC[C@H](N)[C@](C)(CC)N1CCCCC1 118163218 FVMSYWFKFBRRGW-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1sccc1OC 122699333 JZLFBSAEDRILJE-CQSZACIVSA-N 298.496 4.792 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(C)CCC[C@@H]1N 125072459 UJWQWQPOZGPHPL-RDJZCZTQSA-N 267.457 4.604 30 10 CJEE CC(C)[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccs1 126978236 BPIZVFHBMPUYEW-CQSZACIVSA-N 292.354 4.707 30 10 CJEE N#Cc1cc(F)c(Oc2cccc3ccccc23)c(F)c1 127468566 YEVDEOCQNKZYRR-UHFFFAOYSA-N 281.261 4.782 30 10 CJEE Cc1cc(Oc2ccc(C#N)c(C)c2)ccc1Cl 133500255 MJEZGBYLFAGAKI-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C#CCCC[C@@H](NCCC)C1(c2ccccc2)CCCC1 134023496 UJYXVANXROFTDC-LJQANCHMSA-N 283.459 4.670 30 10 CJEE Cc1ccccc1[C@@H](N[C@H](C)c1ccc(C#N)s1)C(C)C 134932382 DRLVVWRQRBRYCP-KDOFPFPSSA-N 298.455 4.976 30 10 CJEE CCCCCCCCCCCC[C@H](NC)c1ccnn1C 143509935 OYVCAMGJBBDLAT-KRWDZBQOSA-N 293.499 4.992 30 10 CJEE CCCCCCCCC[C@H](N)[C@](C)(CC)OCC 159867252 IDJAVMDYODOLFY-HOTGVXAUSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@](O)(CC)c1ccc(F)cn1 162470932 NPTKIKGWVCHPJY-QGZVFWFLSA-N 281.415 4.959 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2cccc(F)c2Cl)C1 166806002 RVHVAWSGJHISIU-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=C(C)C/C=C(\C(C)(C)OC[C@H]1CO1)[Si](C)(CC)CC 195811121 SYJCSQKEINIMCF-YLQKULKDSA-N 296.527 4.731 30 10 CJEE Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(C)C)cc1)O2 213987808 GIVPESPPSNNKCV-WOJGMQOQSA-N 278.351 4.735 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N2CCCc3ccccc32)C1 222194723 BLRXGTLVAPXTOF-AYBZRNKSSA-N 282.431 4.548 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(OC(C)C)c1 232684367 MCBOKEJJUGMGLI-KRWDZBQOSA-N 261.409 4.610 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](NCCC)[C@]1(C)CC 250843462 ZCBOSZSMVOADQO-KSZLIROESA-N 283.500 4.920 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1C)c1cccc(Cl)c1Cl 251057515 HHOZJUUDEGNFSI-KBVBSXBZSA-N 259.176 4.664 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](OCCCC(C)C)C1 251352318 NYVRQVQYWIIDQZ-PMPSAXMXSA-N 251.414 4.548 30 10 CJEE C[C@H](C#N)Cc1cc2cc(C(F)(F)F)ccc2s1 260001153 KXMQNQMOSICQRB-QMMMGPOBSA-N 269.291 4.622 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H](SCC)C1 300682048 XIZIRUSVAILUPR-XHSDSOJGSA-N 271.514 4.999 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(C)cc(C)n1 311560136 MYSYGGXOUCGTEO-MRXNPFEDSA-N 262.441 4.710 30 10 CJEE Cc1cc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(C)c(C)c1C#N 312813678 RVMASPPERHDISM-BFQNTYOBSA-N 271.404 4.687 30 10 CJEE CC(C)(C)CCC[C@@]1(C=O)CCCc2ccccc21 316535603 BIUNLPWWFNYNQR-GOSISDBHSA-N 258.405 4.676 30 10 CJEE CCC1CCC(C=O)([C@H]2CCCC[C@@H]2CC)CC1 316560635 AGNAWJJUDFRZPN-YZUHTNEWSA-N 250.426 4.988 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1 381051310 YZDKXIYROHXTOL-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1cc2c(s1)CCCC2 393830510 VJJSDALSXPPYIV-TZMCWYRMSA-N 263.450 4.632 30 10 CJEE C=CCCC[C@@H](C)NCc1cccc(Cl)c1Cl 398128350 UNZBHHNUYQWWKV-LLVKDONJSA-N 272.219 4.828 30 10 CJEE C=C[C@@H](C)ON[C@H](C)c1ccc(-c2ccccc2)cc1 400825105 KESPYPBXRIDNGC-HUUCEWRRSA-N 267.372 4.510 30 10 CJEE CCCCCCCCCC[C@@]1(F)CNC[C@H](C)C1 401707043 BLGHIXLDTNJMGR-CVEARBPZSA-N 257.437 4.855 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@H](C)CC(F)(F)F 402599538 QJGKCVIQJOQORL-CHWSQXEVSA-N 282.394 4.548 30 10 CJEE CC[C@H](Oc1cccc(Cl)c1C#N)c1ccccc1 403148275 YKSHADKAMUPUCI-HNNXBMFYSA-N 271.747 4.742 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CC[C@@H]2C[C@@H]2C1 403371121 MFXDQUBFJMTUQT-VQHPVUNQSA-N 251.458 4.891 30 10 CJEE CC[C@H](NC1CC(c2ccccc2)C1)c1ccc(C#N)cc1 467445674 BDIPGLBAJAMQPY-MHJFOBGBSA-N 290.410 4.545 30 10 CJEE CC(C)(C[C@@](C)(C#N)c1ccccc1)c1ccccc1 686732751 ZHWKNVNCNDTXMM-IBGZPJMESA-N 263.384 4.836 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCCOC1)NCC 689484540 MEKUHSIXFZJWAG-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](N)c1scc2c1OCCO2 691526894 RTGOJHTXRAVTAU-ZDUSSCGKSA-N 297.464 4.660 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)c(F)c1 692220662 MMXCYRRKANUSPM-RKVPGOIHSA-N 275.411 4.920 30 10 CJEE CC[C@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C(C)C 698357668 GKGLKEFKAVGJBO-WMLDXEAASA-N 296.455 4.740 30 10 CJEE C=C(C)C[C@H](NCCC)c1ccsc1Br 698672696 CEFOQJBWQSTXPY-NSHDSACASA-N 288.254 4.518 30 10 CJEE C=CCCCCC[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C 699056469 GBUKPDDZZAMGBL-HLLBOEOZSA-N 251.458 4.913 30 10 CJEE CCCCCCCCCC[C@@H](N)c1nc(C)c(C)[nH]1 699981969 HUJMGJJZDKLIEH-OAHLLOKOSA-N 265.445 4.557 30 10 CJEE CCCCCCC[C@@]1(N)C(C)(C)[C@H]2CC[C@@]1(C)C2 704464367 FTNAKAMZGJTSER-BHYGNILZSA-N 251.458 4.891 30 10 CJEE N#Cc1ccc(N2CCC(C3CCCC3)CC2)c(Cl)c1 708859695 WMHXTJKUQZKXPQ-UHFFFAOYSA-N 288.822 4.618 30 10 CJEE CC(C)C[C@H](C)C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 709130738 WEFVSMBLVFYMKU-YOEHRIQHSA-N 271.404 4.668 30 10 CJEE CCCCCCCCC[C@@H](N)CC(C)(C)COC 712639889 RYWZXCUQPAYYHO-OAHLLOKOSA-N 257.462 4.517 30 10 CJEE C=CC[C@@H](C)Nc1cccc(OCc2ccccc2)c1 715039173 LAOSEXXIKDPAMF-OAHLLOKOSA-N 267.372 4.642 30 10 CJEE C=CC[C@@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 715708888 JYSCUQNEBXXKKA-OAHLLOKOSA-N 280.367 4.661 30 10 CJEE C=CC[C@@H](C)[C@H](N)Cc1c(C)cc(C(C)(C)C)cc1C 715750439 UIJMUIPWKJIDRR-FZKQIMNGSA-N 273.464 4.683 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H](CC)CCCC)CC1 724618175 QPTRGSUPIHQSMW-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC 1128749095 XYVGAPMFOPUCOX-RBUKOAKNSA-N 299.458 4.605 30 10 CJEE C=CCC(C)(C)CNC(=O)c1ccc([C@H](C)CC)cc1 1129234286 KXSDQGCSBKCUEL-CQSZACIVSA-N 273.420 4.532 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1ccccc1SCC 1133174369 YPLNWGOORICRSH-UHFFFAOYSA-N 291.460 4.521 30 10 CJEE CCCCCCCCN(C)Cc1csc(Cl)n1 1139976595 BSKBHCWAUXBXOY-UHFFFAOYSA-N 274.861 4.589 30 10 CJEE C=CCC[C@@H](Nc1ncnc2ccccc12)c1ccccc1 1162868500 SXJQKEGXHZFAGV-QGZVFWFLSA-N 289.382 4.749 30 10 CJEE C=CCCCCCN1CCC[C@@H](Cc2ccccc2)C1 1167331859 BNTPRVGCVOARNU-IBGZPJMESA-N 271.448 4.688 30 10 CJEE C=CCCCCN(C)[C@H](C)c1nc2ccccc2s1 1167911197 CUKCTONTGPVRRV-CYBMUJFWSA-N 274.433 4.645 30 10 CJEE C=CCC[C@H](CC)Nc1cccc(F)c1SC 1182855742 REJRKXJPPGBIAC-NSHDSACASA-N 253.386 4.704 30 10 CJEE C#CCN(C[C@@H]1CCCC[C@@H]1C)[C@H]1CCCc2ccccc21 1198105237 WLXGYRJJSNIBEE-CUWPLCDZSA-N 295.470 4.826 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2Cl)CCCCC1 1264139949 JXUOAZFVIZAJQC-UHFFFAOYSA-N 277.795 4.805 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)c1ccc2ccccc2c1 1264854373 JGWVXSLFVOOSSO-UHFFFAOYSA-N 281.399 4.795 30 10 CJEE C=C1CCN(C(=O)C[C@@H](C)CCCCCCCC)CC1 1292889527 DFEFZRDIXSPESL-KRWDZBQOSA-N 279.468 4.942 30 10 CJEE C=CCOc1cccc(NC(=O)[C@H](C)CCC(C)(C)C)c1 1351410702 ULEMYFXRFYXCQI-CQSZACIVSA-N 289.419 4.652 30 10 CJEE C=C[C@@H](CC(=O)N(CC)CC(CC)CC)c1ccccc1 1354156006 ZANIVZXCCWQTIY-KRWDZBQOSA-N 287.447 4.631 30 10 CJEE C=CCCC[C@H](C)NC(=O)c1coc2cc(C)c(C)cc12 1458272480 JNAUQWCNOHEXCU-AWEZNQCLSA-N 285.387 4.524 30 10 CJEE C=CCCCCCN1CCC(=Cc2cccc(OC)c2)CC1 1473218602 UCYQSBPTKLYYSX-UHFFFAOYSA-N 299.458 4.921 30 10 CJEE C=CCCC(=O)N(Cc1ccccc1)[C@H]1CCCC1(C)C 1515313079 JCCLGVPJACDOJY-KRWDZBQOSA-N 285.431 4.560 30 10 CJEE C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1518324669 FVLGYMILKCEJDI-YWZLYKJASA-N 299.458 4.560 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 1524064250 YKBUNLKOJBMGJP-CXAGYDPISA-N 293.838 4.756 30 10 CJEE C=C[C@H](CC(=O)Oc1c(C)ccc(C)c1C)c1ccccc1 1525305014 OPINIIGIHFXUTI-QGZVFWFLSA-N 294.394 4.877 30 10 CJEE C=CCCCCCCCNC(=O)C1(C)CCC(C)CC1 1527549748 RRQQMSYPXHCSHQ-UHFFFAOYSA-N 279.468 4.846 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 1528951331 ITEACYHBOFPZIO-BRWVUGGUSA-N 289.463 4.598 30 10 CJEE C=CCC1(NC(=O)[C@@H](CC)CC2CCCC2)CCCC1 1532700628 BFQPPGGGPCDUEW-INIZCTEOSA-N 277.452 4.598 30 10 CJEE C=CCC1(CNCc2cc(C(C)C)ccc2O)CCCC1 1560831454 PLFSVVQNRFYPPV-UHFFFAOYSA-N 287.447 4.742 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCCC12CCCC2 1564428581 BCNZQLRPUFOWET-JKSUJKDBSA-N 292.467 4.533 30 10 CJEE C=C(CC)C(=O)Nc1cc(F)ccc1Oc1ccccc1 1565559593 SSDDFVMKBSONAA-UHFFFAOYSA-N 285.318 4.523 30 10 CJEE C=CCCCCCCNC(=O)CC[C@H]1CCc2ccccc21 1587020907 BQDRIDLWZBBPHU-GOSISDBHSA-N 299.458 4.749 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 1588298796 LLXSIAPKBXDXOH-RAXLEYEMSA-N 299.458 4.716 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1C 1617466603 SGIOALCDFYVUAI-CZUORRHYSA-N 291.822 4.513 30 10 CJEE C=CCCCCCCNC[C@H]1C[C@H]1c1ccccc1 1621322963 PTKSRDQUHUYUPC-MSOLQXFVSA-N 257.421 4.516 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)C[C@@H]1CC1(C)C)c1ccccc1 1623304849 LXQYNIDMQILMBL-ZWKOTPCHSA-N 299.458 4.631 30 10 CJEE C=CCCCCCN[C@@H](C(F)F)C1CCCCC1 1643890175 XANCGFFHONVTNL-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1nsc2ccccc12 1647740720 ACIJPPCOAKVKDR-UKRRQHHQSA-N 286.444 4.521 30 10 CJEE C=C(C)c1cccc(Nc2cc(C(C)(C)C)ncn2)c1 1651495241 QIUXGTHBVDNIAW-UHFFFAOYSA-N 267.376 4.551 30 10 CJEE C=CCCCCSc1nc(C2CC2)nn1-c1ccccc1 1651742941 IKCHJMFSWDMHLI-UHFFFAOYSA-N 299.443 4.593 30 10 CJEE C=CCC[C@@H](CCC)NCCc1ccc(Cl)c(C)c1 1652544420 LVZFNHPNVLZHPS-MRXNPFEDSA-N 279.855 4.915 30 10 CJEE C#C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccc(Cl)cc1 1658240227 KUMJZYSTNKDATL-XYPHTWIQSA-N 275.823 4.573 30 10 CJEE C=CCCc1ccccc1NC1CCC(OCC)CC1 1659572717 ZHAXFQUHVYLSFG-UHFFFAOYSA-N 273.420 4.565 30 10 CJEE C#C[C@@H](NCCCC1CCCCC1)c1ccc(Cl)cc1 1659930329 WMAUTHQGDSXHAZ-GOSISDBHSA-N 289.850 4.964 30 10 CJEE C=CCC1(CNCc2c(C)cc(C)cc2C)CCCC1 1662447092 ITAGTKOPWMYMRV-UHFFFAOYSA-N 271.448 4.838 30 10 CJEE C=CCCCCNC(=O)Nc1ccccc1CCC(C)C 1673904577 OVCIJCBGABKWBL-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H]1CCCC[C@H]1CCC 1677010542 UJPKSLYVXVEDCY-IAGOWNOFSA-N 294.483 4.781 30 10 CJEE CCCCc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 1874717374 OGVPEDFZZAIUBT-JLHYYAGUSA-N 280.367 4.631 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@](C)(F)C(F)(F)F 1876581732 FWDPYDVIJSKDFD-OLZOCXBDSA-N 283.353 4.782 30 10 CJEE C=CC[C@H]1CCCCN(Cc2ccc(F)c(Cl)c2)C1 1883480498 SMPGVKXGUDYILD-ZDUSSCGKSA-N 281.802 4.657 30 10 CJEE CC#CCCCC[C@]1(CNCC(C)C)CCC[C@@H]1C 1885236971 OKDQWDJIEXDFQI-ZWKOTPCHSA-N 263.469 4.622 30 10 CJEE CCCCCCCN(C)c1ccccc1C(=O)CC 1887051287 FUBPHGMXZRLBCU-UHFFFAOYSA-N 261.409 4.686 30 10 CJEE C#CC[C@H](CN[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 1887366300 RDEWAHVVWWKRMS-SMDDNHRTSA-N 296.241 4.694 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@H](CC(C)C)C(C)C 1887451882 IAHIVFCSEXOVOW-RCCFBDPRSA-N 265.485 4.722 30 10 CJEE C=C(c1ccccc1)[C@]1(O)C[C@@H](C)Sc2sccc21 1888712543 ULHVYVCKTSEYTG-BDJLRTHQSA-N 288.437 4.533 30 10 CJEE CC#CCCC[C@@H](N)c1cscc1OCc1ccccc1 1890986500 BPNKUMMRRYNTBN-QGZVFWFLSA-N 299.439 4.521 30 10 CJEE C=CC[C@H](C)SC[C@@H]1CSc2ccccc21 1899419450 YRWFCBOFCATAAN-NWDGAFQWSA-N 250.432 4.574 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Cl)s1 1903136215 OBDAHFIBMJKKIY-CHWSQXEVSA-N 257.830 4.654 30 10 CJEE CCCCCCCCCC(=O)c1ncc(C)cc1F 1908945395 JQNJBSYKAFPJAO-UHFFFAOYSA-N 265.372 4.853 30 10 CJEE CCCCCCCC[C@H](Cc1cccc(Cl)c1C)NN 1913075459 KAFKKTRPIFPSRV-MRXNPFEDSA-N 296.886 4.773 30 10 CJEE CCCCCCCCN(Cc1ccccc1)CC(C)(C)O 1915419376 MIXFNNNJXCPBFZ-UHFFFAOYSA-N 291.479 4.620 30 10 CJEE CN(CC1(CS)CCC1)[C@@H]1CCC2(CCCCC2)C1 1916124467 XSQMPVIFSCTARQ-OAHLLOKOSA-N 281.509 4.521 30 10 CJEE CCC[C@@H](C#N)C1(O)CCCCCCCCCCC1 1921041144 HWYQVWJUWOTVIK-INIZCTEOSA-N 265.441 4.962 30 10 CJEE C=C(COCc1ccccc1)[C@H](CCC(C)(C)C)NCC 1922131754 DNOSJECHXLWTCC-SFHVURJKSA-N 289.463 4.564 30 10 CJEE C=C([C@@H](NCC)c1ccc(F)c(Cl)c1)[Si](C)(C)C 1922962508 KKRSTKJOEMIFKO-CQSZACIVSA-N 285.866 4.563 30 10 CJEE O[C@H](CC#CC1CCCCC1)c1c(F)ccc(Cl)c1F 1925529067 XGIVCGQXRISKKT-CQSZACIVSA-N 298.760 4.625 30 10 CJEE C[C@@H](N(Cc1ccccc1)c1ccc(C#N)cc1)C(C)(C)C 1932001013 YNUNFHGRNBVWCM-MRXNPFEDSA-N 292.426 4.999 30 10 CJEE SC[C@H](CSc1ccc(Cl)cc1)C1CCC1 1936796137 NOKYIYDRICLRAC-LLVKDONJSA-N 272.866 4.778 30 10 CJEE C[C@H](CCS)CCOc1ccc2sccc2c1 1940817118 WPHZSCIPEYRFBR-NSHDSACASA-N 266.431 4.626 30 10 CJEE CC(C)c1ccc(C(=O)C=Cc2cccs2)cc1 1951301778 JCSSFYVSQHCWAG-UHFFFAOYSA-N 256.370 4.768 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 1964453258 OUXFIUHZZWCSRU-HIFRSBDPSA-N 283.337 4.540 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1NCc1csc(C2CCCC2)n1 1969551612 KUZDBGIYNCHVPV-CJNGLKHVSA-N 290.476 4.635 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cc(Br)cs2)CC1 1985312094 MLPGMYXIRQAIHX-SECBINFHSA-N 299.233 4.830 30 10 CJEE CCCCCCC[C@@H](CCSCC)NCCC 2000371527 LPXNZWLRPDEQSU-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE C=CC1(C[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1 2002629002 YBBSELSDEDDMLL-ZDUSSCGKSA-N 271.187 4.773 30 10 CJEE C=CCCCC[C@H](NC)c1cc(Br)ccc1C 2009490475 VBLKYIXIMCXOBV-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)c2cc(Cl)cs2)CC1 2010782153 CDGVCOWHUZWDII-JTQLQIEISA-N 268.809 4.967 30 10 CJEE C#CC(CC)(CC)Nc1nc(Cl)c(Cl)cc1Cl 2011405261 HAECGTNITJIMHD-UHFFFAOYSA-N 291.609 4.646 30 10 CJEE CC[C@@](C#N)(Cc1cc(Cl)ccc1F)C(C)C 2012408770 FVQRIKVDMBSYJH-AWEZNQCLSA-N 253.748 4.598 30 10 CJEE C=C(Cl)C[C@@H](N)c1ccc(-c2ccccc2)s1 2025608348 OGZRYORVBMHBMC-GFCCVEGCSA-N 263.793 4.558 30 10 CJEE C=CCSc1ccccc1N[C@@H](C)CSC(C)C 2028133431 DBDBYFLGVZLZBW-ZDUSSCGKSA-N 281.490 4.907 30 10 CJEE CCCCCCCCCCNC[C@@H]1[C@H]2CCC[C@H]21 2032731372 LJVFNWZWWWGJOP-FVQHAEBGSA-N 251.458 4.763 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H]1CC[C@H](F)C1 2032986223 YWBCCUYPVNJCST-PMPSAXMXSA-N 255.421 4.629 30 10 CJEE CCCCCCCN[C@@H]1C[C@H]2CCCC[C@@]2(C)C1 2036660991 MUUXTQWVHZTNSZ-ZACQAIPSSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1C[C@H]1C(F)F 2041772115 SNLDFPCFOOXEPN-MJBXVCDLSA-N 261.400 4.616 30 10 CJEE C=C[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2045710698 VCJJSTSJMGXTSH-ZDUSSCGKSA-N 277.820 4.905 30 10 CJEE CCCCCCC[C@@H](CC1(CF)CCC1)NCC 2046895111 DFBGZTACOYQXCG-HNNXBMFYSA-N 257.437 4.855 30 10 CJEE CCCCCCC[C@H](O)[C@]1(C)CCCCC1(F)F 2048988561 UHKMLSJWICDXEZ-KBPBESRZSA-N 262.384 4.923 30 10 CJEE CCCCCCC[C@@H](O)[C@@]1(C)CCCCC1(F)F 2048988564 UHKMLSJWICDXEZ-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=CC1(C[C@H](NC)c2cccc(Cl)c2C)CCC1 2049038022 PCUWFHNENSWBCU-HNNXBMFYSA-N 263.812 4.655 30 10 CJEE CCCCCCCN(C)[C@@H]1CCCC[C@@H]1C1CC1 2052298930 GBFSDMFJCAYJHN-IAGOWNOFSA-N 251.458 4.857 30 10 CJEE C#CCCCC[C@H](NCCC)[C@H](CCC)C(C)C 2053236765 QERNGTNHAQNKMT-SJORKVTESA-N 251.458 4.621 30 10 CJEE 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4.779 30 10 CJEE C=C[C@H](CCCCC)OCC(=O)c1ccc(C)c(C)c1 2239501852 RGKRKIADSKRDHL-QGZVFWFLSA-N 274.404 4.638 30 10 CJEE NC1(C#Cc2ccc(Cl)cc2)CCC2(CCCC2)CC1 2239569249 ZMZMKXZLROZEJV-UHFFFAOYSA-N 287.834 4.523 30 10 CJEE C=CCCC[C@H](Cc1ccc(C2CC2)cc1)NCCC 2240346631 HBRBMSDGYPEQIY-LJQANCHMSA-N 271.448 4.831 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC[C@@H]1C(F)F 2241683310 FKERAEGGXZNWST-IRXDYDNUSA-N 293.401 4.746 30 10 CJEE C=C(C)CCCC[C@@](C)(O)c1ccc(CC)s1 2250180908 GRSXDMGLXUFYKZ-OAHLLOKOSA-N 252.423 4.655 30 10 CJEE SCC1(CSC2CC3(C2)CC2(CCC2)C3)CC1 2251372219 NQZFWEMTUXOMBX-UHFFFAOYSA-N 268.491 4.543 30 10 CJEE CCCCCCCCC[C@H](C)NCCSCC 2252954201 ZNPSKSFUQYBDLQ-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE C=CCCCCC[C@H](O)c1cc(OC)ccc1Cl 2256224752 YSRASDQRCRDWOB-HNNXBMFYSA-N 268.784 4.519 30 10 CJEE C=C(C)CCCCC(=O)c1cc(F)c(Cl)cc1F 2259164834 VDNFYDOFRFFEAR-UHFFFAOYSA-N 272.722 4.937 30 10 CJEE CN[C@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2261106694 IWYKYUIUPGKPQB-CQSZACIVSA-N 281.852 4.554 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)cs1 2262882581 NWNWJDUJJOOROF-CYBMUJFWSA-N 287.856 4.554 30 10 CJEE CCCC[C@](C=O)(CC)CCc1ccc(F)cc1 2263162648 NYVKJNHZIIWDAD-MRXNPFEDSA-N 250.357 4.544 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H](C)COC 2263673570 SYBWRNCWWQRYIT-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCCCC[C@H](C)Nn1ccc(C)c1 2263718014 NAVMWVISSDHOJE-INIZCTEOSA-N 250.430 4.869 30 10 CJEE C=CCN(Cc1ccc(CCC)cc1)C1CCCC1 2268241961 IOQVGFXEQORABY-UHFFFAOYSA-N 257.421 4.570 30 10 CJEE C=CCCCCCCCSc1nc(C)c(CCN)s1 2271514066 IZQHTDKOMZUSPV-UHFFFAOYSA-N 298.521 4.571 30 10 CJEE C=C(C)CCCC[C@@H](N)[C@](C)(O)CCCCCCC 2271760477 FMRFUVKPXXBACG-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=C(C)CCCCC(=O)c1cccc2cccnc12 2271837853 YLSLSNRTQJMBFO-UHFFFAOYSA-N 253.345 4.554 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)CCO[C@@H](C)C1 2272284272 NOAPZUSLTBXGFE-YESZJQIVSA-N 265.441 4.938 30 10 CJEE CCCN[C@@H]1CCCCC[C@H]1C#CC1CCCCC1 2273991331 DRCUWFZTPZACCN-ZWKOTPCHSA-N 261.453 4.519 30 10 CJEE CCCCCCCCC[C@@H](CCC1CC1)OCCN 2276250639 CXLWMPJHKHPZBA-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CC(C)[C@H]1CCC[C@@H]1CN(C)CCCCCCCS 2277501462 OAEHLYDGZHGAHV-IAGOWNOFSA-N 285.541 4.871 30 10 CJEE CCCC[C@](C=O)(CC)C1C2CC3CC(C2)CC1C3 2277614765 FQFMLPADXQVZQY-KXGAMWBWSA-N 262.437 4.844 30 10 CJEE C=C(COC(C)C)[C@@](C)(N)CCCCCCCCC 2278171398 MPQSGWPSBSCXEK-KRWDZBQOSA-N 269.473 4.826 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](C)[C@@H](O)C(C)C 2278233726 ITGXNBPROXQOLL-ULQDDVLXSA-N 271.489 4.511 30 10 CJEE N#Cc1ccc(CSC[C@@H]2CCCCC2(F)F)cc1F 2283106553 HKVOUBBKFQRLGX-ZDUSSCGKSA-N 299.361 4.756 30 10 CJEE CC[C@H]1CCC[C@](CC=CC#CC(C)(C)C)(C(=O)O)C1 2284094803 HMKFXCUBBGINQM-YJBOKZPZSA-N 276.420 4.653 30 10 CJEE Cc1cc(C)c(C)c(C(=O)CC=CC#CC(C)(C)C)c1 2284105931 COLCNTCNMNQHED-UHFFFAOYSA-N 268.400 4.790 30 10 CJEE CC1=CC[C@](C)(CN(C)CC=CC#CC(C)(C)C)CC1 2284148860 VZKRQVQRGVCMGM-IBGZPJMESA-N 273.464 4.660 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C(C)(F)F)ccn1 2284157095 DFHVBWLLWFFUOL-OCCSQVGLSA-N 280.362 4.740 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C=O)CCCC(C)(C)C2)c1 2284356169 KBNILZVMSNYDEH-KRWDZBQOSA-N 294.822 4.677 30 10 CJEE C=CCCCCCCCSc1cccc(C(=O)O)c1N 2287071191 HWSHUIJHKAUJIV-UHFFFAOYSA-N 293.432 4.586 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@H](C)C[C@](N)(C#N)C1 2287095755 CVIBRNMEJHTLKH-GVDBMIGSSA-N 294.508 4.656 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)c1sccc1C 2287378618 ZGJQQFVCCMNCMR-HZPDHXFCSA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccccc1OCC 2287408711 LMUMDLNOQBTPNV-KRWDZBQOSA-N 275.436 4.872 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H]1CSc2ccccc21 2287409703 XZMSDEKJEWIRSW-SJORKVTESA-N 289.488 4.991 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cnc(C(C)C)s1 2289617995 XISIPYWUBWIJGI-HNNXBMFYSA-N 290.476 4.501 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H](C)C1CCCC1 2289788172 QRIASFMNOAEKOY-APWZRJJASA-N 275.480 4.765 30 10 CJEE CC(C)(C)CC1CC(C(=O)C#Cc2cccc(Cl)c2)C1 2289950699 HOIJPWCXGZAWJW-UHFFFAOYSA-N 288.818 4.723 30 10 CJEE C=C[C@](C)(CNCCC)Cc1cccc(C(C)(C)C)c1 2290286844 WAKKUNUNQOWEJY-IBGZPJMESA-N 273.464 4.719 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@@H](C)[C@H](C)CC 2290639523 YYOBHUSJKFARAL-VYDXJSESSA-N 286.456 4.889 30 10 CJEE C=CCCCC[C@H](OCC(=O)O)c1ccc(Cl)c(C)c1 2291492315 ZYOXQBHFXAPMNM-HNNXBMFYSA-N 296.794 4.537 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCC(=O)O)C(CC)(CC)CC 2292317992 HLACIPDQTUOXML-GDBMZVCRSA-N 284.440 4.665 30 10 CJEE C=C(C(C)(C)C)C1(OCCCN)CCCCCCCC1 2293359203 AAIALJRDZXCNIM-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE CC(C=CC(=O)c1ccc(C)cc1)=Cc1ccccc1 2293633471 ODWQOKIGAHWYFY-UHFFFAOYSA-N 262.352 4.837 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCCC[C@H]1CO 2295688556 HDYKNRARJNKNHE-FGTMMUONSA-N 283.500 4.656 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1ccc(Cl)cc1Cl 2298825083 WIGLUAUBUJFZNI-ZANVPECISA-N 290.259 4.691 30 10 CJEE CC(C)[C@@H](CS)COCC1CCCCCCC1 2303285462 PHBYDTQMMOMPON-OAHLLOKOSA-N 258.471 4.566 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(CC)c1 2304039063 STXKRTHITHAQGZ-IUODEOHRSA-N 251.439 4.563 30 10 CJEE CC[C@@H]1CCC[C@H](OC[C@H](CS)CC(C)C)C1 2308053352 JYODIPNSNGLRIX-KFWWJZLASA-N 258.471 4.564 30 10 CJEE CCCCCCCCC[C@@H](O)C[C@@H]1[C@@H](C)C1(F)F 2308287829 GWFCREAGNIBLEB-MGPQQGTHSA-N 262.384 4.779 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]12CC[C@@H]1C2 2308554254 RUFOTFCRLUMMRS-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NCCC(C(C)C)C(C)C 2315492525 ZQYSZEQQWHUUSC-NVXWUHKLSA-N 251.458 4.639 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(SCC)cc1 2316677114 NCQJDJNOIJEDPF-UHFFFAOYSA-N 260.402 4.750 30 10 CJEE CCCCCCCC=C1CCCN[C@H]1C(F)(F)F 2320946258 OGZYEIYOAQOSCL-CYBMUJFWSA-N 263.347 4.588 30 10 CJEE C=CCC(C)(C)[C@@H](CCCC(F)(F)F)NCCC 2321102926 VFMSLWKQYOMAAU-GFCCVEGCSA-N 265.363 4.690 30 10 CJEE CCCCCCC[C@@H](CCCOC(C)(C)C)NC 2322040411 VSLIMOMFHMFBBT-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1C[C@@H]2C[C@H]1CC2(F)F 2329136152 HXZYYPCHWYDFFX-QPSCCSFWSA-N 273.411 4.759 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@@H]2CNC[C@]2(C)C1 2330279258 GDWZQCHSUKTTRH-IXDOHACOSA-N 269.448 4.855 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]1c1ccccc1 2332782750 ONBDEOWXVQAKMB-UBDQQSCGSA-N 256.389 4.576 30 10 CJEE C=CCCCCCCCC[C@]1(O)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333365717 UCHNQKPVZWFMTI-ATIWLJMLSA-N 262.437 4.700 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1cc(C)cc(Cl)c1 2335099099 RPINMDPCNKHNDI-MRXNPFEDSA-N 295.879 4.902 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc(C)cc(C)c1 2335103079 GXDXDLYHGBUKJV-NVXWUHKLSA-N 277.477 4.652 30 10 CJEE C=CCC(CC=C)OC(=O)c1cc(Cl)c(Cl)cc1C 2335109576 CKFFOACXOWTYOR-UHFFFAOYSA-N 299.197 4.979 30 10 CJEE CCCN[C@H](C#CC1CCC1)C[C@H](CC)C(C)(C)C 2337440114 UVVQXNXORGXFDU-DLBZAZTESA-N 263.469 4.621 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Nc1cc(C2CC2)ccc1Cl 2338126895 VSSLOSOAGLRGRL-ZFWWWQNUSA-N 274.795 4.712 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCCC(F)(F)CC1 2338750015 OKLDANLDSKYLLD-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE C#Cc1ccccc1N[C@@H]1C[C@H](C)Sc2sccc21 2339963319 GQAFYNSEDZRCPO-XHDPSFHLSA-N 285.437 4.767 30 10 CJEE C=CCC(C)(C)CO[C@H](C)CCCCN[C@@H](C)CC 2340375825 GXPWYUMFFJAOIG-JKSUJKDBSA-N 269.473 4.552 30 10 CJEE C=CC[C@@](C)(CC)[C@H](CC1(C(C)(F)F)CCC1)NC 2344339444 JIHPOVLFUZTMBC-UONOGXRCSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](CC1CC(C2CCC2)C1)NCCC 2344357458 RFQXLRXUNQZXMP-OBHHBEAMSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1coc(C(F)(F)F)c1 2344397004 QCZNVOPVEUBWFS-CHWSQXEVSA-N 275.314 4.551 30 10 CJEE CSc1cc(Nc2ccc(F)cc2Cl)ccc1C#N 2353837924 MAYPWOBIYXDISR-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C=CC[C@H](C)SC[C@H](NCCC)c1cc(F)ccc1F 2360323136 HCZSQBNXTSFCND-LRDDRELGSA-N 299.430 4.703 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(CC)cc1 2360324470 PWMVSNKJMMNCCF-MAUKXSAKSA-N 291.504 4.988 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1CNCCC 2360367992 JUAMEDGGJHQWCR-UHFFFAOYSA-N 293.451 4.938 30 10 CJEE C[C@H](Oc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 34997671 JVTSXCDGISSKKQ-NSHDSACASA-N 291.272 4.717 30 10 CJEE Cc1ccc(Sc2c(C#N)cnc3ccccc23)cc1C 36913497 BPPNMCCLPLPGCI-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE Cc1ccccc1C1CC(Nc2ccc(Cl)c(C#N)c2)C1 36973426 IOJLMTIZDKGATE-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1)c1ccc(F)cc1Cl 37212142 GMEPWDWRSGOROD-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](SC2CCCCC2)C1 37685607 HKYXSSANFUNEMM-UMVBOHGHSA-N 251.439 4.771 30 10 CJEE N#CCCCCOc1c(Cl)cc(Cl)cc1Cl 42214091 QUCQAVBUPWQNJT-UHFFFAOYSA-N 278.566 4.719 30 10 CJEE CCCN[C@](C)(C#N)CCSc1ccc(C(C)C)cc1 45218125 KAPTWCHQFUOYHV-KRWDZBQOSA-N 290.476 4.574 30 10 CJEE Cc1ccc(Cl)c(OCC[C@@H](C#N)c2ccccc2)c1 57684688 ZWNUSUIQMBPUIS-HNNXBMFYSA-N 285.774 4.725 30 10 CJEE CCCCCCCNc1ccc(Cl)c(C#N)c1 59431204 QUSYGCCYLYTJQQ-UHFFFAOYSA-N 250.773 4.594 30 10 CJEE CCCCCCCN[C@H](CC)c1ccc(OC)cc1 59456672 YUYZMJPJNFRVTN-QGZVFWFLSA-N 263.425 4.706 30 10 CJEE CCC(CC)(CS)CSc1ncccc1Cl 87099040 JUQLGXQMBOKWOY-UHFFFAOYSA-N 275.870 4.563 30 10 CJEE CCC1CCC(C#N)(Cc2ccn(C(CC)CC)n2)CC1 87933635 NIHDMNFJPHZFAR-UHFFFAOYSA-N 287.451 4.897 30 10 CJEE Cc1ccsc1[C@@](C)(O)C1(C#N)CCC(C(C)C)CC1 91885109 PHLUMFAMTOIAEE-ARWYELJZSA-N 291.460 4.620 30 10 CJEE CCC(CC)(CS)CN(C)Cc1ccccc1Cl 94581500 JEJQXGLWBQBFPB-UHFFFAOYSA-N 285.884 4.508 30 10 CJEE CCCCCC[C@H](C)OC[C@@H](CS)C(C)(C)C 94583942 JCICSODKXYGHLD-KBPBESRZSA-N 260.487 4.954 30 10 CJEE CCCCCCCN(CCC(=O)O)c1ccc(C)c(C)c1 105478853 JBXJNVMTJHYRSB-UHFFFAOYSA-N 291.435 4.555 30 10 CJEE CCCCCCCCCCn1ccnc1CNCCC 109692240 OBIWYFLUXHSYGY-UHFFFAOYSA-N 279.472 4.523 30 10 CJEE Cc1ccc(N[C@]2(C#N)C[C@H](C)CC[C@@H]2C(C)C)cc1 110028524 SXCGPNCXCKKWDY-NXHRZFHOSA-N 270.420 4.762 30 10 CJEE CCCCCCCOC1(CN)CCC(C(C)(C)C)CC1 110067958 VYEPDHAKPPMVOL-UHFFFAOYSA-N 283.500 4.907 30 10 CJEE CCCCCCCCO[C@H]1Cc2ccccc2[C@H]1NCC 110083800 RMUWESRJXYUMRT-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE N#Cc1ccc(Nc2cccc(F)c2F)cc1C(F)(F)F 110254556 GPCNOZYSUGGLRN-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE C[C@H]1C[C@H](Oc2cccc(Cl)c2C#N)CC(C)(C)C1 110261783 BJEWMKLIXPAUEX-RYUDHWBXSA-N 277.795 4.805 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] 114284991 JINZQDKGNMRZNU-ZDUSSCGKSA-N 289.379 4.627 30 10 CJEE CCCCCCCCC[C@@H](N)CS[C@@H](C)CC 115815224 ALCALWDUBBMIGN-LSDHHAIUSA-N 259.503 4.986 30 10 CJEE CCCCCCC[C@](C)(O)c1cccc(Cl)c1 115827983 LMVITJMMDGAYIX-HNNXBMFYSA-N 254.801 4.908 30 10 CJEE CCCC[C@H](CC)CN1CCC/C(=N/O)c2ccccc21 123353584 SGIUJAWTWNLWMT-DXQAYGFFSA-N 288.435 4.682 30 10 CJEE CCCCCCCOc1cccc(Cl)c1C[C@H](N)CC 128774108 GSCTUQHRQPVAMA-CQSZACIVSA-N 297.870 4.969 30 10 CJEE CCCCCCCCC[C@H](NC)C1C[C@@H]2CC[C@H](C1)N2C 129226802 VMZIHOKEBQVXPZ-IPQPSQTFSA-N 294.527 4.588 30 10 CJEE CCCCCCCCCCN[C@H]1CCOC2(CCC2)C1 129369409 OVIGFKPYILPTFC-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE CCCCC[C@@](C)(C#N)Nc1ccc(Cl)cc1 132722807 SDJNMAVBCVWWFI-AWEZNQCLSA-N 250.773 4.614 30 10 CJEE Cc1ccnc(Sc2cc(Cl)ccc2Cl)c1C#N 135178082 VRYDPUJCUVVLKO-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCCCCCN(C)CC[C@@H](C)O 135642561 NFZQXNJXJMBHSO-QGZVFWFLSA-N 271.489 4.610 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(OC)nc1 158464410 AIAZVLULMLVECE-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O 158731356 ZPMMKBLHXMOCPH-OTWHNJEPSA-N 295.511 4.753 30 10 CJEE CCCCCCCC[C@]1(CNC(C)C)CCO[C@H]1C 159708186 LEJGWMHXNLYBQK-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CCCCCCCCN[C@H](C)c1cc(C)ccc1O 160779771 FYIZTKOZUOISOM-OAHLLOKOSA-N 263.425 4.712 30 10 CJEE CCCCCCCC(=O)c1ccccc1SC 164709673 BYRPOLIUEYZPMB-UHFFFAOYSA-N 250.407 4.952 30 10 CJEE CCCC[C@@H](CC)COCc1ccc(C#N)cc1C 165550144 JKTDJUSUSRJBAR-OAHLLOKOSA-N 259.393 4.600 30 10 CJEE CCCCCCCCC(=O)Cc1ccn(C2CCCC2)n1 166488758 VPVDMTGBNHNMMB-UHFFFAOYSA-N 290.451 4.860 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCC 189909527 KTUXUUITNWVHQT-AWEZNQCLSA-N 273.420 4.913 30 10 CJEE N#C[C@]1(CC2CCCCC2)CCCc2ccccc21 203519936 NFLCTOSLTHPHDB-GOSISDBHSA-N 253.389 4.755 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@]2(O)CCCC[C@@H]2C(C)C)C1 214835290 QVOKBOPCJAJZKI-BDXSIMOUSA-N 277.452 4.674 30 10 CJEE CCCCCCCCC[C@H](Cc1cncs1)NCC 229230298 HZLQASNXHUBXCF-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC3(CCCC3)O2)C1 229466359 GGUJVWSZCRVHNU-IKGGRYGDSA-N 275.436 4.978 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(Br)c1C 229754876 AXICUKVLNFSPBI-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCCc2cccnc21 229781953 TZKCPXGZIPHTIP-IRXDYDNUSA-N 274.452 4.579 30 10 CJEE CCCOc1ccc(C(=O)C=C2CCCCC2)cc1 233250026 BYQVUZIFGRYYCV-UHFFFAOYSA-N 258.361 4.549 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2C#N)CC1 235368005 FCOFOEOYGTULRU-NEPJUHHUSA-N 262.784 4.592 30 10 CJEE CCC[C@H](CS)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 251097372 CQXDJHANPTUPAK-FXUDXRNXSA-N 272.498 4.810 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)CC(C)C)NN 300994092 WBIJTEFMTOIVCJ-CVEARBPZSA-N 256.478 4.641 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1cc2c(s1)CCCC2 312202217 HKPFKHCMAFZWMU-OAHLLOKOSA-N 289.488 4.717 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1CCOC[C@@H]1C 312530355 HIPIOYBPXZNQMT-BZSNNMDCSA-N 283.500 4.778 30 10 CJEE CC1CCC(C#N)(c2ccnc3cc(Cl)ccc23)CC1 312700293 DFEYJSNFNRMCJE-UHFFFAOYSA-N 284.790 4.860 30 10 CJEE C[C@@H]1CCN(CC2(CS)CCCCC2)c2ccccc21 312957926 MIEANXKWKKFGDK-OAHLLOKOSA-N 289.488 4.881 30 10 CJEE Cc1cc(C)c(C[C@]2(C=O)CCCC[C@@H]2C)c(C)c1 316690230 YTRSEVPQZBUXCW-WMZOPIPTSA-N 258.405 4.550 30 10 CJEE C=C(C)C[C@]1(CNC(C)(C)C)CCCc2ccccc21 318522550 IHTHNQSECGTEGC-IBGZPJMESA-N 271.448 4.615 30 10 CJEE C=CCCCCCCNC1CCC(C(F)(F)F)CC1 382387841 QZIQYLMFYVURGD-UHFFFAOYSA-N 277.374 4.834 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)Cc1cc(Cl)ccc1[N+](=O)[O-] 385089213 XRISZQLOIUYFDF-XHDPSFHLSA-N 292.766 4.511 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(C(F)(F)F)s1 394902818 DGGNBDZOJBHFNZ-JTQLQIEISA-N 294.386 4.632 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@H]2C1 403416305 WMIRIHXPSDOLIK-NCOADZHNSA-N 252.442 4.924 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1CCC[C@H]1C 690969731 PKWKDJXDYOLWED-HUUCEWRRSA-N 271.514 4.623 30 10 CJEE CC(C)(C)C[C@@H]1CN/C(=N/CCCC2CCCCC2)S1 694074747 DTROSIGPFVTSLZ-OAHLLOKOSA-N 296.524 4.844 30 10 CJEE N#CC[C@H](NCCCC1CCCCC1)c1ccccc1 694075076 GXMGPVKXLPZQLV-SFHVURJKSA-N 270.420 4.591 30 10 CJEE C=C1C[C@H]2CC(NCC3(C)CCCCC3)C[C@@H](C1)C2 697304816 PRZWLESUFONWBK-SJPCQFCGSA-N 261.453 4.681 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H](C)Oc1ccccc1 700691148 KVETUYSLMHHVHN-NVXWUHKLSA-N 263.425 4.532 30 10 CJEE CCCCCCCCC[C@H](NN)c1csc(C(C)C)n1 702251430 NVJYFKCYQIAMFN-AWEZNQCLSA-N 297.512 4.912 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CC2(c3ccccc3)CC2)C1 704059551 XTCSVXPUEFJJGL-FUHWJXTLSA-N 270.416 4.894 30 10 CJEE CCCCCCCCOC[C@H](NC)c1cccc(Cl)c1 709590307 MMKCETWIKHMMDA-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE C=C(Cl)CCC[C@H](NCCC)c1ccccc1 710640829 JOWCLYVVHZYKRR-HNNXBMFYSA-N 251.801 4.650 30 10 CJEE CCCCCCC[C@@H](NCCC)c1csnc1OC 712924135 JTJUNHLAFRYCQO-CQSZACIVSA-N 284.469 4.553 30 10 CJEE CC[C@H](C)C[C@H](C)/N=C1/NC2(CCCCCC2)CS1 713180967 NCOOGBPLWVLKJO-KBPBESRZSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Cl)cc1Cl 715723738 ZFGGKGUQWDADCD-QMTHXVAHSA-N 272.219 4.856 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cscc1C(F)(F)F 717193468 OSSDAJNFPUHNDV-BXKDBHETSA-N 277.355 4.630 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@H](OC)CC1 718755367 UOULOAWHTACPQD-GJZGRUSLSA-N 291.460 4.724 30 10 CJEE CCCC1(C/N=C2/N[C@H](C3CCCCC3)CCS2)CC1 725102370 AAMOGBXLKKILIU-HNNXBMFYSA-N 294.508 4.598 30 10 CJEE C=CCN(C(=O)Nc1ccccc1CCC(C)C)C(C)C 746676911 MLORHPCFFNTWKV-UHFFFAOYSA-N 288.435 4.704 30 10 CJEE COc1ccc2ccccc2c1C=Nc1cc(C)ccc1O 1084542510 AUDYQCLMVKGMRS-UHFFFAOYSA-N 291.350 4.613 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(C)cc2ccccc12 1129134191 GDFZAOKUFXIXPK-CQSZACIVSA-N 267.372 4.689 30 10 CJEE C=CCCCCCCNC(=O)c1cc2c(C)c(C)ccc2[nH]1 1140296233 ZVCWRWUXLJOJGI-UHFFFAOYSA-N 298.430 4.651 30 10 CJEE C=CCCCCN[C@H]1CCc2cccc3cccc1c23 1176332799 BXUAFUKCPHODQQ-SFHVURJKSA-N 265.400 4.773 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](c2ncccc2C)C(C)(C)C)C1 1184218965 QXJGNUHJOYTUAW-SOLBZPMBSA-N 286.463 4.812 30 10 CJEE C#CCCS[C@H](c1ccccc1)c1ccc(F)cc1 1189199324 XJPDTZICZDVANJ-QGZVFWFLSA-N 270.372 4.672 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCCC1 1264286040 XNSNPOJIZIIBEW-IXDOHACOSA-N 289.463 4.598 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](CCC)CCc1ccccc1 1354232896 BDOUSABYOVINDY-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C=CC[C@@H]1N(CCc2ccc(F)c(F)c2)CCCC1(C)C 1460028935 KCGQFODFJALHRE-KRWDZBQOSA-N 293.401 4.574 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccc(C3CCC3)cc2)C1 1461429650 DLDYBMCXULBXEH-HNAYVOBHSA-N 269.432 4.789 30 10 CJEE C=CCC1(CNCc2ccc(N3CCCC3)cc2)CCCC1 1461503310 VWTFGMFOZSQIOR-UHFFFAOYSA-N 298.474 4.513 30 10 CJEE C#C[C@H]1CC[C@H](NCc2cc(-c3ccccc3)cs2)CC1 1474255436 LOEUHXINLCOFJT-RZDIXWSQSA-N 295.451 4.697 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCCCSC 1538890124 KJSZPWKEYAFXBG-HZPDHXFCSA-N 297.508 4.551 30 10 CJEE C=CC[C@H]1N(Cc2ccc(F)c(F)c2)CCCC1(C)C 1559797507 SDRXFNTYOKTGHD-MRXNPFEDSA-N 279.374 4.532 30 10 CJEE C#CCCCCCCN1CCC[C@]1(C)Cc1cccs1 1560190300 XPNCAYUKIKKQLD-GOSISDBHSA-N 289.488 4.729 30 10 CJEE C#C[C@H](N[C@@H]1CC[C@@H](CCC(C)C)C1)c1ccc(F)cc1 1560852661 LGNZEUKGNRFELM-LZQZEXGQSA-N 287.422 4.695 30 10 CJEE C#Cc1ccc(CN(CCCC)[C@H]2CCC[C@@H](C)C2)cc1 1560856656 QKRFUPWEKHJOEB-XLIONFOSSA-N 283.459 4.849 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 1564726638 DMNSIJBUIHRGRE-YESZJQIVSA-N 294.483 4.637 30 10 CJEE C=CCCC[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1 1583544162 UFZVJCBEWARYAL-GOSISDBHSA-N 297.373 4.653 30 10 CJEE C=CC(C)(C)CCNC(=O)c1ccc(C(C)(C)CC)cc1 1588063496 UFYJMACEJJJGQG-UHFFFAOYSA-N 287.447 4.706 30 10 CJEE CCCCCCCN(Cc1ccccc1)C[C@@H]1CCCO1 1615272953 VBUPTFDVSYGQQE-IBGZPJMESA-N 289.463 4.638 30 10 CJEE C=CCC1(NC(=O)c2c(CC)oc3ccccc23)CCCC1 1617816499 IYKRPTUQEBZTEH-UHFFFAOYSA-N 297.398 4.614 30 10 CJEE C=CCOc1cccc(CNCC2CCC(C)(C)CC2)c1 1620891154 WIJTVFGDJAKFAL-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCC[C@@H](Nc1cc(Cl)nc(C)n1)c1ccccc1 1639670928 XRIMRJFMSGFRET-CQSZACIVSA-N 287.794 4.558 30 10 CJEE C=CCCCCCN[C@H](C)c1nc(C(C)(C)C)cs1 1645192124 BTPBXOJGBGSAIY-CYBMUJFWSA-N 280.481 4.838 30 10 CJEE C=CCCCCC[C@H](C)NCc1c(Cl)cccc1OC 1652202755 ASQIAXXJORJYNL-AWEZNQCLSA-N 295.854 4.963 30 10 CJEE C#CCCN(Cc1ccc(-c2ccccc2C)s1)C(C)C 1653251677 ILEBRUNXGJLUSQ-UHFFFAOYSA-N 297.467 4.957 30 10 CJEE C=C[C@@H]1CCCCN1CCc1cccc(Cl)c1Cl 1653466517 BLFCMDZKUTVLAU-CYBMUJFWSA-N 284.230 4.576 30 10 CJEE C=CCCC1(CNC(=O)OC2CCCCC2)CCCC1 1655995883 STBIXNUINZKFHM-UHFFFAOYSA-N 279.424 4.572 30 10 CJEE C=CCN(C[C@@H](C)c1ccc(C)cc1)c1ccccc1 1657812162 BSFQJIJNOXCBSP-QGZVFWFLSA-N 265.400 4.791 30 10 CJEE C=CC[C@H]1N(C[C@@H]2CCCCC2(F)F)CCCC1(C)C 1658466577 UANBJZIBWYZOKU-LSDHHAIUSA-N 285.422 4.879 30 10 CJEE C=CCN(Cc1cccs1)C[C@H]1CCC[C@@H](C)C1 1659302018 IAXKPCJWTSXBKY-CABCVRRESA-N 263.450 4.562 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1CCCC 1668354615 JKDZVDMHUXGCND-DLBZAZTESA-N 294.483 4.733 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 1677203584 WLCMBWAXVWZGRG-DLBZAZTESA-N 294.483 4.637 30 10 CJEE C=CCCCCCCNC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 1685253850 PBGJNZPORCHGPB-HOTGVXAUSA-N 294.483 4.637 30 10 CJEE Cc1ccc(-c2csc(NN=Cc3cccs3)n2)cc1 1772721428 RRYRCCQRHOPVAG-UHFFFAOYSA-N 299.424 4.626 30 10 CJEE N#CCc1nc(-c2ccc(Cl)c(Cl)c2)ccc1Cl 1848376010 UNPODDWYVVNRJY-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCC[C@@H]1CC(C)(C)CC[C@H]1CNCCC 1879645335 WDJAURXJAXHULU-SJORKVTESA-N 263.469 4.622 30 10 CJEE N#C[C@]1(C[C@H]2CCCC[C@H]2C(F)(F)F)CCCSC1 1879876227 XJAMWHAFWGYOOP-JHJVBQTASA-N 291.382 4.782 30 10 CJEE C=C1CC(C[C@@H]2CCC(F)(F)CC[C@@H]2NCCC)C1 1881820248 XUMVXJGWDAKQSW-GJZGRUSLSA-N 271.395 4.536 30 10 CJEE CCCCCCCCCCN(C)Cc1ccccn1 1883862006 LXALJTDIPFHJEA-UHFFFAOYSA-N 262.441 4.654 30 10 CJEE C=C1CCC(CN(C)[C@@H](C)C(C)(C)C(F)(F)F)CC1 1884408181 VDBDKSOLWRBEFY-LBPRGKRZSA-N 277.374 4.642 30 10 CJEE CC#CCCCC[C@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 1885226148 BDYYBFQYATVBBQ-FJIDUMEYSA-N 262.437 4.538 30 10 CJEE C=CC[C@H](C)OCc1sc(Cl)cc1Br 1892988923 CPRUVOQVNPHQBV-ZETCQYMHSA-N 295.629 4.645 30 10 CJEE CCCCCCCCCCCCN1O[C@H]2C=C[C@H]1C2 1907550798 WEPLFFQCOLLGKF-IRXDYDNUSA-N 265.441 4.852 30 10 CJEE C[C@@H](CC1CCCCC1)N=C1N[C@H](C2CCCC2)CS1 1912063804 PWDQVCMARFMSKC-BBRMVZONSA-N 294.508 4.597 30 10 CJEE CC(C)Sc1cccc(Cl)c1[C@@H]1C[C@]1(C)C=O 1952153006 QBSKXDCDWSUWJP-IINYFYTJSA-N 268.809 4.533 30 10 CJEE C=C1C[C@H]1CCc1cc(Cl)c(C)c(Br)c1 1960648256 JBZRJIACYZYONS-LLVKDONJSA-N 285.612 4.920 30 10 CJEE CC1(C)CCC[C@@](C#N)(C/C=C/Br)CC1 1961325411 VZQBASUNTRCQOC-MQSIBISMSA-N 270.214 4.785 30 10 CJEE C=CCCCCCNCc1cscc1C(F)(F)F 1962791193 YBWYSUKSULCROT-UHFFFAOYSA-N 277.355 4.603 30 10 CJEE CCCC[C@@](C=O)(CC)Cc1ccc(Br)cc1 2000500162 ROKSOONAVCZLRX-HNNXBMFYSA-N 297.236 4.777 30 10 CJEE N#C[C@H](c1cccc(Br)c1)[C@@H]1CCCC[C@@H]1F 2006749680 FLAVPCUQJZOCDZ-MJBXVCDLSA-N 296.183 4.585 30 10 CJEE CC[C@](C#N)(Cc1ccc(Cl)c(F)c1)C(C)C 2012412507 OSMMLAYBPGVFJJ-CQSZACIVSA-N 253.748 4.598 30 10 CJEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(C)c(C)s1 2026987429 CVSZEPSCRBDARS-GJZGRUSLSA-N 265.422 4.509 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@@](C)(CCC)O1 2027955887 GIFNKYHSJLDAPR-HZPDHXFCSA-N 255.446 4.632 30 10 CJEE C=C([C@H](NCC)c1cc(F)ccc1Cl)C(C)(C)C 2035416972 FPIZZAIYRDOJRC-AWEZNQCLSA-N 269.791 4.732 30 10 CJEE C=C([C@@H](NCCC)C1(CC)CCCC1)C(C)(C)C 2035419169 NKOIGPFBGPVBBP-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC[C@H](N)[C@]1(C)CC1(F)F 2036114626 FECJVYUNWGAGME-KBPBESRZSA-N 261.400 4.890 30 10 CJEE CC1(C)CCC[C@@](C=O)(CC(C)(C)C(F)F)CC1 2039379647 BJVRAFWVEMMCJT-HNNXBMFYSA-N 260.368 4.843 30 10 CJEE C=CCC[C@H](C)[C@H](O)C1CCC(C(C)(C)C)CC1 2040519485 QKALDUZDWFKCPW-LBDPXKHJSA-N 252.442 4.802 30 10 CJEE C=CCC[C@H](C)[C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2040519840 UKUBYZPKKQZUOW-UTSKFRMZSA-N 250.426 4.556 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cc(Cl)ccc1F 2040525980 MOJCQYHWTSTMJL-NHYWBVRUSA-N 269.791 4.732 30 10 CJEE C=C1C[C@@H]1C[C@H](C[C@H](C)CC(C)(C)C)NCCC 2040848629 VRLUJDAOECCETA-IMJJTQAJSA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](NCC)c1cc2cccc(Cl)c2o1 2043192191 BQNSTXDAFFUUKW-CYBMUJFWSA-N 263.768 4.703 30 10 CJEE CCCCCCCCC[C@]1(N)C[C@]1(C)C(F)(F)F 2043552514 FOCZKAWNXFHJBO-STQMWFEESA-N 265.363 4.797 30 10 CJEE CC[C@@H]1CCC[C@H](C(=O)C2=CCC(F)(F)CC2)C1 2045234003 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C=CCCCCCCC[C@@H](O)[C@H](OC)c1ccccc1 2235520849 DGJURRCWRTVCRQ-QZTJIDSGSA-N 276.420 4.652 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H](O)C(CCC)CCC 2235532303 JBDHCNTYVDEBEU-ZWKOTPCHSA-N 283.500 4.808 30 10 CJEE CCCCCCCCCO[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1N 2239464727 SVHYVZFCJRGFAQ-XDNAFOTISA-N 281.484 4.660 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 2239577772 IEHNQVNZUZREFO-QBPKDAKJSA-N 282.468 4.714 30 10 CJEE CCCCCCCC[C@@](C)(Nc1ccccc1)C(=O)O 2240656631 HKSWTDWPENWQBC-QGZVFWFLSA-N 277.408 4.692 30 10 CJEE CCCCCCCC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 2253835507 LKRVMGFZZVQXRP-VXGBXAGGSA-N 264.331 4.895 30 10 CJEE C[C@@H]1CCC[C@H](CC[C@@]2(C=O)CCS[C@H](C)C2)C1 2253994538 FOOLWNBEKUDITN-KLHDSHLOSA-N 268.466 4.694 30 10 CJEE C=CCCCCCCCS[C@H]1CCC2(CC2)[C@H]1N 2259050912 GXZDSBYQHSIHGL-GJZGRUSLSA-N 267.482 4.516 30 10 CJEE C=CCCCCCCCSCc1ccnc(F)c1 2259056763 DOAZLCZWPIYUJJ-UHFFFAOYSA-N 267.413 4.981 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CC[C@@H](CC)C1 2259172908 SMCLXBNRZRIJBB-SJORKVTESA-N 251.458 4.929 30 10 CJEE C=C(C)CCCC[C@]1(CNCC)CCC[C@H](C)C1 2259176779 QOPZMYDGGGTDJG-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE N#C[C@H]1CCC[C@H]1SC1CC2(C1)CC1(CCC1)C2 2260959252 UKQXXNPCPYCQLB-TZMCWYRMSA-N 261.434 4.525 30 10 CJEE Fc1c(Cl)ccc(OCCCCCCCS)c1F 2263158512 ZNULYNBPAOQJSV-UHFFFAOYSA-N 294.794 4.877 30 10 CJEE Cc1cc(N[C@@H]2CCCC[C@H]2C#N)c(Cl)cc1Cl 2263169510 LJWAZSNWLHLSAP-GXFFZTMASA-N 283.202 4.796 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H]1CCO1 2263989435 GIIVTQASVVLYBK-INIZCTEOSA-N 254.414 4.655 30 10 CJEE CCCN[C@@H]1CCCC[C@@H]1CC=CC#CC(C)(C)C 2268743416 RLWFSBZYAKOHAZ-DLBZAZTESA-N 261.453 4.541 30 10 CJEE CC(C)(C)C#CC=CC[C@H](O)c1cc2cscc2s1 2268835954 URJXWLIMYKDUFK-ZDUSSCGKSA-N 290.453 4.992 30 10 CJEE COc1ccc(Cl)c(C[C@@]2(C#N)CCCC[C@H]2C)c1 2269186381 UCCCFIBKXATUOM-MLGOLLRUSA-N 277.795 4.611 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1csc(C2CC2)n1 2271780763 IEICXIVKUCUULG-AWEZNQCLSA-N 278.465 4.808 30 10 CJEE C=C(C)CCCCOc1ccc(CNCC)cc1Cl 2271838922 LNZMOIGFZOECLS-UHFFFAOYSA-N 281.827 4.575 30 10 CJEE CCC1CCC(C=O)(CC2CC3(CC(C)C3)C2)CC1 2272167180 UUUNAICYYUHGAC-UHFFFAOYSA-N 262.437 4.988 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1cc(C)sc1C 2273901381 WBNUVIUCVZRKDO-KRWDZBQOSA-N 275.461 4.599 30 10 CJEE CSCC1(C[C@@]2(C#N)CCCC2(C)C)CC(F)(F)C1 2273945352 XZEUGYJUMBUSGU-CQSZACIVSA-N 287.419 4.875 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(C)c(F)c2F)C1 2274091699 OPBKLAYRJHYDQI-WBMJQRKESA-N 263.331 4.536 30 10 CJEE C=C(C)CC[C@H](CCCCCCCC)OCC(=O)O 2275320716 GBODTYQMRNSXGM-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCCCCC[C@@H](CCSC)OCCN 2276667417 AAIJSSVZEJZTGB-INIZCTEOSA-N 289.529 4.614 30 10 CJEE CCCCCCC[C@@](C)(OCCN)[C@H]1CCC1(C)C 2277137048 GUJHOMJYINQQFB-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE CN(CCCCCCCS)C[C@@]12CCCC[C@H]1CC2 2277502241 QWJHSZBDKJCXFK-IRXDYDNUSA-N 283.525 4.769 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(C(F)(F)F)s1 2277677269 IQNBXAWAZAYACV-QWRGUYRKSA-N 289.366 4.774 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1nc2ccccc2s1 2278002584 MMHLMLVEZGDPJP-WFASDCNBSA-N 274.433 4.549 30 10 CJEE C=C(COC(C)C)[C@](C)(N)CCCCCCCCC 2278171399 MPQSGWPSBSCXEK-QGZVFWFLSA-N 269.473 4.826 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](C)OC(F)F 2278228659 HXNIWAMJOIYREB-ZIAGYGMSSA-N 279.415 4.733 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC1(C)CC(C)C1)NCC 2279476508 IHPTXCWZYXBFTF-SAGYGOJTSA-N 283.500 4.512 30 10 CJEE CCCCCCCN[C@@H]1CCCc2c(OC)cccc21 2283685553 TWPITVLNMFMTJD-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE CC(C)C(C)(CNc1ccc(C#N)c(F)c1F)C(C)C 2283872768 ITEFEHWHUQTUKK-UHFFFAOYSA-N 280.362 4.567 30 10 CJEE C[C@@H]1C[C@@H]1CCCCC[C@@]1(C=O)CCOC12CCCC2 2284925360 GNUPLQNTHGYOBZ-IKGGRYGDSA-N 278.436 4.511 30 10 CJEE CC(C)(C)c1cccc(Nc2ccc(C#N)cc2F)c1 2285654155 BTWXTHCOFWMWEK-UHFFFAOYSA-N 268.335 4.738 30 10 CJEE C#C[C@@H](c1ccc(-c2ccccc2)s1)N1CCCCC1 2285984517 VIKCOJLYWCAPSK-INIZCTEOSA-N 281.424 4.575 30 10 CJEE C=CCCCS[C@H](C)[C@H](NCC)c1ccc(CC)cc1 2287075522 DIIQOXICSPSMNB-QAPCUYQASA-N 291.504 4.988 30 10 CJEE Cc1cc(C#N)ccc1Nc1cc(C2CC2)ccc1F 2287321647 XJCCHGRBDYLRBP-UHFFFAOYSA-N 266.319 4.627 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](C(C)C)CS1 2287885270 MXDHULUYBPGWOY-HOTGVXAUSA-N 298.540 4.804 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ccnc(C(C)(C)C)c1 2289316518 SDBHMLFBKNSBRV-GDBMZVCRSA-N 274.452 4.632 30 10 CJEE CC(C)(C)c1ccc([C@@H](O)C#CC2CCCCC2)cc1 2289775327 SIQJDLJHCGWYCL-SFHVURJKSA-N 270.416 4.601 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc2c(s1)CCCCC2 2289864540 IZUUPVNLRYAHRS-INIZCTEOSA-N 287.472 4.601 30 10 CJEE CCCNC[C@@H]1CC[C@H](C)C[C@@H]1CC#CC1CCCC1 2289874701 MQUTWFFXIWZXLE-WDSOQIARSA-N 275.480 4.622 30 10 CJEE C=CCCC[C@H](Cc1cccc(C(C)(C)C)c1)NCC 2290197789 PHPASYLOSWZHLN-GOSISDBHSA-N 273.464 4.861 30 10 CJEE CCCCCCCCC[C@@H](CC(F)(F)F)OCC(=O)O 2290571941 TZGAPUCNWAFFBK-LBPRGKRZSA-N 298.345 4.549 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCC(C)(C)C1 2290606178 WSUXGLHYMIGDAC-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@](OCCCN)(C(C)C)C1CC1 2292776187 JQVUECPETIFUQG-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCC[C@@H]1CC2)OCCN 2292795368 HAWCDRHONNUMSI-KURKYZTESA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@](CCC)(OCCN)C(F)(F)F 2293412247 AEUOVKHFQIVITR-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE CCCCCCCC[C@H](OCCN)[C@H]1C[C@@H]2CC[C@@H]2C1 2294593792 DSNNRSBAWVFEFI-MHORFTMASA-N 281.484 4.517 30 10 CJEE C=CCCCC[C@H](OCCN)C1CCC(C(C)C)CC1 2294663252 VZXNPCCXWWSGJG-ABHNRTSZSA-N 281.484 4.539 30 10 CJEE CCCCCCCCC[C@H](O)c1ccn(C(F)(F)F)n1 2295210894 DMNFRNRRUVFEEO-ZDUSSCGKSA-N 292.345 4.534 30 10 CJEE CCCCCCCCC[C@](C)(O)C(=O)CC1[C@H](C)[C@H]1C 2295601915 VFYMKNCENGXTHB-RKVPGOIHSA-N 282.468 4.739 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@H](CO)C(C)(C)C 2295671586 RVEDTFUOTOKTTH-IAGOWNOFSA-N 285.516 4.760 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](CC1CCC1)NC 2295683582 CZMFJQMTGDQLSN-ROUUACIJSA-N 283.500 4.656 30 10 CJEE CCCCCCSC[C@](C#N)(C[C@H](C)CC)NC(C)C 2295762689 ABMJYSQOXIYJHC-IAGOWNOFSA-N 298.540 4.996 30 10 CJEE C=CC[C@H](C)SC[C@@H](N)c1cccc(Cl)c1Cl 2298817339 QWKMIAZYOWLZIF-JOYOIKCWSA-N 290.259 4.691 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)sc1C 2304045868 KDRWUSJWFRJMQY-LSDHHAIUSA-N 251.439 4.618 30 10 CJEE CC(C)C[C@H](CS)COCCCCCC1CC1 2308055378 DXOUDAVSOCEFJB-HNNXBMFYSA-N 258.471 4.566 30 10 CJEE C=CCC(CC=C)SCC(=O)c1ccccc1Cl 2313695257 LKAMAPUKVWEHHV-UHFFFAOYSA-N 280.820 4.777 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@H](CC)CCCC 2316738876 LZJCDMRYMMERKV-WBVHZDCISA-N 251.458 4.949 30 10 CJEE C#CC[C@H](COCc1cccc(Cl)c1Cl)C1CC1 2317208313 XVANKVOZDWHCMR-GFCCVEGCSA-N 283.198 4.560 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc(C)c(Cl)cc1F 2321103361 YVRVSZFSHOXMGM-ZUZCIYMTSA-N 269.791 4.650 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CC[C@@H]2[C@H]1C2(F)F 2329179519 SGMYXUMJHGADHG-TUVASFSCSA-N 273.411 4.616 30 10 CJEE CC1(C)CCC[C@@]1(C#N)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329795019 SKMXNSJTTJRXEV-COMQUAJESA-N 267.363 4.778 30 10 CJEE CC(=NOCc1ccccc1Cl)c1ccc(Cl)cc1 2330455754 OPQLSWRKXQGSEU-UHFFFAOYSA-N 294.181 4.934 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1cccc(Cl)c1 2330497501 MYCFYCPKTGFFHM-UHFFFAOYSA-N 294.181 4.934 30 10 CJEE C=CCC(CC=C)Sc1ccc2c(c1)CCC[C@H]2N 2335238802 PNINKCVLXFYTDN-QGZVFWFLSA-N 273.445 4.636 30 10 CJEE C=CCCCCCOc1ccc(CC(F)(F)F)cc1 2336767479 UVVWOPMQHFBKPT-UHFFFAOYSA-N 272.310 4.917 30 10 CJEE CC(C)(C)C#CC=CCC(=O)CCC1=CCCCC1 2340257060 YZDCKWHZRIWBAD-UHFFFAOYSA-N 258.405 4.832 30 10 CJEE N#Cc1ccc(NCCCC2=CCCCC2)c(Cl)c1 2340968318 ZTAVNBNDOARJNO-UHFFFAOYSA-N 274.795 4.904 30 10 CJEE CCCCC#CC[C@H](CCC[C@@H]1C[C@@H]1C)NCCC 2341489447 NZXWOFYEYFFXOS-RCCFBDPRSA-N 263.469 4.765 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1CC2(CC2)C1)NCCC 2344368336 CNKQLBSLPFJJBV-IRXDYDNUSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](CC1C2(CCC2)C12CCC2)NC 2344383627 SRWSWOYFTFSSJU-OAHLLOKOSA-N 261.453 4.537 30 10 CJEE CC1=C(C)C[C@@H](COCC2(CS)CC(C)(C)C2)CC1 2345011678 VBGFBEKNLGMWFH-HNNXBMFYSA-N 282.493 4.876 30 10 CJEE C=CCCCCCCCNC1(c2nccs2)CCC1 2351783698 AGFUVTKGYJLISG-UHFFFAOYSA-N 278.465 4.639 30 10 CJEE CCCC1(CN(C)C[C@](C)(CS)C(C)(C)C)CCC1 2352085509 LSFYBWDKZCFSGF-MRXNPFEDSA-N 285.541 4.871 30 10 CJEE CSc1cc(N[C@H]2CCC[C@@H]2C(C)C)ccc1C#N 2353830773 OMTUVGYPCONCOA-CABCVRRESA-N 274.433 4.517 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCc2ccccc2C1 2354853914 KESIJNNCPVCNJM-SKWUIDRYSA-N 265.400 4.512 30 10 CJEE C=CCC(CC=C)S[C@H]1Cc2ccccc2[C@H]1NCC 2360200214 GSRLFVWGZZRLDA-ZWKOTPCHSA-N 287.472 4.516 30 10 CJEE C=CCC(CC=C)Sc1cc(C)ccc1C[C@@H](N)CC 2360208009 LRSOCNMKTPWAFB-INIZCTEOSA-N 289.488 4.888 30 10 CJEE C=CCC(CC=C)OC(=O)C1CC(C)(C)CC(C)(C)C1 2360209312 AUUHTXBINJCZDE-UHFFFAOYSA-N 278.436 4.903 30 10 CJEE C=CCC(CC=C)Oc1cc(Cl)ccc1CNC(C)C 2360214752 LZBJPPMEWSWXEI-UHFFFAOYSA-N 293.838 4.738 30 10 CJEE C=CC[C@@H](C)SCc1cc(NCCC)ccc1[N+](=O)[O-] 2360352026 BHNHVLQXSMCNIX-GFCCVEGCSA-N 294.420 4.615 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CCCCCC2)C1 37145803 HYORBXOZQGZGAX-GVDBMIGSSA-N 276.468 4.607 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1cccc(Cl)c1Cl 37937877 LDCKUGIUDYJZQX-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE CC[C@H](C#N)Oc1cc2sc(C)nc2c2sccc12 43556947 UZINSKGDUBAQTO-SECBINFHSA-N 288.397 4.500 30 10 CJEE CCc1ccccc1OCCC[C@H](C#N)c1ccccc1F 57686461 KWEIQTTXBUBJOF-MRXNPFEDSA-N 297.373 4.854 30 10 CJEE Cc1cccc(/C=N/N(c2ccccc2)c2ccccc2)n1 59151372 XRUXWSDEUDPSLV-HMMYKYKNSA-N 287.366 4.562 30 10 CJEE Cc1ccccc1Cc1nc(-c2cccc(C#N)c2)cs1 62938325 KTENMKBZAHIXQV-UHFFFAOYSA-N 290.391 4.581 30 10 CJEE CCc1oc(-c2ccc(Cl)c(Cl)c2)cc1C#N 77076542 JHFOEXCFCWMSTQ-UHFFFAOYSA-N 266.127 4.687 30 10 CJEE CCCOc1cccc(/C=C/C(=O)c2ccc(CC)cc2)c1 83194065 WRHDOASFWXVKTG-JLHYYAGUSA-N 294.394 4.934 30 10 CJEE CCc1ccc(-c2nc3cc(C#N)ccc3n2C2CC2)s1 86636927 QDPMRBAVWOKXEC-UHFFFAOYSA-N 293.395 4.534 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(C)ccc2C)C1 87972479 NNVRUVBCYKPQRY-WMZOPIPTSA-N 255.405 4.956 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(C(F)(F)F)cc2)C1 87996819 BYZSNRCITSCYPS-WFASDCNBSA-N 281.321 4.968 30 10 CJEE CCN(CC1(CS)CCCCC1)c1ccc(F)cc1 94580531 JOSVLRPQJKDJMC-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE CCC#CC[C@@H](C)c1cc(C)c(C)cc1Br 107479852 LUWKRUSGONTFPS-LLVKDONJSA-N 279.221 4.973 30 10 CJEE C#CCCc1c(Cl)c(Cl)cc(Cl)c1Cl 107502666 KPRUJHPIYPIEAG-UHFFFAOYSA-N 267.970 4.866 30 10 CJEE CCCCCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2N 110095600 GRYPWCHILADUMN-MRXNPFEDSA-N 291.435 4.597 30 10 CJEE O=C(C1=CCCCC1)c1cc2c(s1)CCCCC2 110174767 DIGHGCRTVYBOPQ-UHFFFAOYSA-N 260.402 4.700 30 10 CJEE C[C@@H]1CCC[C@H](Sc2cc(Cl)ccc2C#N)C1 110354430 PHHCYWQWQKKUCX-MFKMUULPSA-N 265.809 4.882 30 10 CJEE CCCCCCCCCCN1CCCNC(CC)(CC)C1 114078164 MYQSTJXIEIQNLB-UHFFFAOYSA-N 296.543 4.981 30 10 CJEE C[C@@H]1CCC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122420450 QWTZNACRHCPEBD-ZYHUDNBSSA-N 283.293 4.535 30 10 CJEE CCCCCCCCC[C@@H](NCC)C1(OC)CCC1 124061622 QRBNEHUWRPWTQC-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cnnn1CCC 125326114 PSVVAYWFXNGIEL-INIZCTEOSA-N 294.487 4.609 30 10 CJEE Cc1cc(N[C@H](c2cccs2)C(C)C)ccc1C#N 132645987 CQZACGLLMBSCFS-INIZCTEOSA-N 270.401 4.737 30 10 CJEE CCCCCCCCCCCC[C@@H]1CSC[C@H]1N 134579867 BYPGOYBIKNATSE-HZPDHXFCSA-N 271.514 4.988 30 10 CJEE Cc1ccnc(Sc2ccc(C(C)(C)C)cc2)c1C#N 135179060 LSWRIJRXSQEFIR-UHFFFAOYSA-N 282.412 4.710 30 10 CJEE CC(C)Cn1c([C@H]2CCCCS2)nc2cc(C#N)ccc21 156300300 QPKIFOATGQUQNX-MRXNPFEDSA-N 299.443 4.522 30 10 CJEE CCCCCCC[C@H](NC)c1cc2c(s1)CCC2 157996787 HIFJFNZZOWIXCH-AWEZNQCLSA-N 265.466 4.858 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc(F)c(OC)c1 158098082 QOYGNRBNWZYATI-MRXNPFEDSA-N 281.415 4.845 30 10 CJEE CCCCCCCCNCc1cccc2[nH]ccc12 160868722 AIXJQDQCFLPHJM-UHFFFAOYSA-N 258.409 4.618 30 10 CJEE C[C@@H]1CC(OCc2ccc(C#N)cc2Cl)C[C@@H](C)C1 162992597 CIGRJXKTVIDONE-RYUDHWBXSA-N 277.795 4.553 30 10 CJEE N#Cc1ccc(CSc2ccc(O)c3ccccc23)cc1 163413325 ODDZDDWTSVHZQW-UHFFFAOYSA-N 291.375 4.709 30 10 CJEE C=CCCC[C@@H](NCCC)C1(OCC)CCC(C)CC1 166146968 BJPDPBUQMUBOIJ-LXPRWKDFSA-N 281.484 4.696 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc2c(c1)CCC2 167735804 ATGDTOMYWVQJDC-SFHVURJKSA-N 257.421 4.572 30 10 CJEE CC#CCC[C@H](CSc1ccccc1Cl)NCCC 168173815 PJBKXCWOOVQZIV-CQSZACIVSA-N 295.879 4.604 30 10 CJEE CC/C(=N\O)c1ccc(O[C@H]2CCC[C@H](CC)C2)cc1 217224095 KXDSFWKJGZALMA-DFVRDNGKSA-N 275.392 4.623 30 10 CJEE C#CCC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 219724085 ZYYFWTJONCPCDM-KZNAEPCWSA-N 277.496 4.724 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)C1 228601613 KUSDJVFEWSGVMJ-ZFWDSBGPSA-N 291.479 4.920 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CCOC2(CCCC2)C1 228787408 NODGYTQPGQKRKX-SJORKVTESA-N 281.484 4.804 30 10 CJEE CCCCCCC[C@@H](N)c1ccccc1OC(C)C 228841831 URNCWJISSSAKRI-MRXNPFEDSA-N 263.425 4.834 30 10 CJEE CCCCCCC[C@@]1(C)C[C@H](N)c2cc(OC)ccc2O1 229119397 HUOQNIOVDIEDLH-WMZOPIPTSA-N 291.435 4.597 30 10 CJEE CCCCCCCNc1cc(F)ccc1Br 232236141 LQINSTAFICBBJC-UHFFFAOYSA-N 288.204 4.971 30 10 CJEE C=CCCCCCC(=O)C1C2CC3CC(C2)CC1C3 232558970 VYEPZNLWOOKIFA-UHFFFAOYSA-N 260.421 4.764 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NCC)c(F)c1 232951828 NIKXOYOGNTWUQX-AWEZNQCLSA-N 281.415 4.845 30 10 CJEE CCCCCCCCC[C@@H]1CNC[C@@](C)(C(C)C)O1 232956031 HMSWASIIQPKUAW-SJORKVTESA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@H](NC)c1sc(C)nc1C 232957982 XBVHBOXYNRHXGY-AWEZNQCLSA-N 268.470 4.771 30 10 CJEE CC#CC[C@@H](NCCC)c1cc(Cl)sc1Cl 233158907 WMGAONLLAQTIFX-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)CC1 235359946 WBDDVDXIKZDIHX-YPMHNXCESA-N 262.784 4.592 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(Cl)cc1F 236537812 MUWJZUVXLPXBCS-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE CC[C@H](C[C@H]1O[C@@H]1C)c1ccc(OCc2ccccc2)cc1 251045467 DQRAYOMIDGQQTR-WRWLIDTKSA-N 296.410 4.937 30 10 CJEE CCC[C@H](CS)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251137377 KQULQHNVXBUZNQ-KNCOVGOOSA-N 270.482 4.564 30 10 CJEE CC[C@H](C)S[C@@H]1C[C@H](c2ccccc2)CC[C@H]1C#N 251326352 HSYHAQAYACBFPY-PQEBFOHHSA-N 273.445 4.994 30 10 CJEE C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ccc(C#N)cc1 252392729 WPUWTGGZYHIVRL-QGTPRVQTSA-N 284.447 4.814 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](O)(CC)c2cccc(F)c2)C1 253228996 KZDCYQUOVQEPTR-JLSDUUJJSA-N 289.394 4.533 30 10 CJEE N#CC1CCC(c2ccccc2C(F)(F)F)CC1 260336188 GWJBJZXIPULNJY-UHFFFAOYSA-N 253.267 4.503 30 10 CJEE CC(C)(C)c1nc2cc(C(C)(C)CC#N)ccc2s1 260511063 LGUOOKSPBJCASM-UHFFFAOYSA-N 272.417 4.785 30 10 CJEE N#CCc1sccc1-c1ccc(Cl)cc1Cl 309474380 UXBGMDLFFNMXFY-UHFFFAOYSA-N 268.168 4.788 30 10 CJEE CCCCCCC[C@H](NCCC)C1(COC)CCCC1 312919760 AOUMYFWKMXKWKI-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCC1CCC(C=O)(C[C@H]2CCC(F)(F)C2)CC1 317249126 OMUSSKQONYSLMM-SHARSMKWSA-N 272.379 4.988 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317394077 YVCAFZSBMSTVBZ-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 380412559 FEQZMCBLBHJYFA-LBPRGKRZSA-N 285.353 4.958 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@]2(O)CCCCC23CCCC3)C1 383933855 VYZDEZXTWXGKIL-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE C=CCCCCCCN[C@H]1C[C@H](OCC)C12CCCCC2 386312029 CZLWCODSTVAJTO-ROUUACIJSA-N 293.495 4.840 30 10 CJEE C#CCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C 686690415 VODQUZGDHQRMCJ-KZNAEPCWSA-N 263.469 4.621 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 686692727 GOQKHKBPSYBZSM-CQSZACIVSA-N 270.203 4.577 30 10 CJEE C#CCCCCC[C@@H]1CCCC[C@@H]1CNC(C)(C)C 686693456 SSRZRAJBZQRBRW-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNC 686693679 QCZXFQAOYDBYIK-KURKYZTESA-N 277.496 4.868 30 10 CJEE C#CCCCCC[C@H](NC)c1cc(Cl)sc1Cl 686697313 KOSHEQGSGRKXKB-NSHDSACASA-N 290.259 4.899 30 10 CJEE N#CC1(Nc2ccccc2Cl)CC(c2ccccc2)C1 690700546 GOOJBQBWHXBNDS-UHFFFAOYSA-N 282.774 4.592 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1cc(Cl)ccc1C#N 691053739 AAODXNQJBGLVSK-WFASDCNBSA-N 276.811 4.617 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)c(C)cc1C 692212714 BFRLJTDMPYWHLC-HKUYNNGSSA-N 271.448 4.836 30 10 CJEE CCCCCCCCC[C@@H](O)c1nccn1C(C)C 692933674 MHSNNNGVXWFIQU-OAHLLOKOSA-N 266.429 4.638 30 10 CJEE CCCCCCC[C@@]1(CNCC(C)C)CCOC1(C)C 693322001 CEHYXMBPICSSDD-SFHVURJKSA-N 283.500 4.778 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2cc3cscc3s2)cc1 694324846 CQZGYPGGKQGAMS-CYBMUJFWSA-N 297.404 4.761 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H]1CNc2ccccc21 695628148 FMNJABDMYFZONC-FUHWJXTLSA-N 275.436 4.697 30 10 CJEE Cc1cc(S[C@@H](C)CC(C)(C)C#N)nc2ccccc12 695881655 ODIJPXOTASOIKW-ZDUSSCGKSA-N 284.428 4.964 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1CCCC(C)(C)CC1 697587851 HEMPICOIKAQJFP-HNNXBMFYSA-N 264.457 4.655 30 10 CJEE C=CC(C)(C)CCN[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 701856756 YNFDHLQZYPVKBC-BZUAXINKSA-N 251.458 4.639 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@H](C)c2ccccc21 701866851 FDGSMDBXPOMQJJ-YOEHRIQHSA-N 257.421 4.817 30 10 CJEE C=CC(C)(C)CCN[C@H](C)c1csc(Cl)c1 701875003 GRIAXSXACSEDLW-SNVBAGLBSA-N 257.830 4.654 30 10 CJEE CCCCCCCCCC[C@@](C)(O)c1nccs1 701927034 BWKFIFDBEOJRTB-OAHLLOKOSA-N 269.454 4.881 30 10 CJEE CCCCCCCN[C@@H](C)c1cccc(F)c1F 703766150 VGYNPCOTEXTKRA-LBPRGKRZSA-N 255.352 4.586 30 10 CJEE CCCCCCCCCC[C@]1(N)COC[C@H]1CCC 704427320 OYRDPVPURBUSJA-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCC[C@@H](NCC)[C@H]1CCCC12CC2 706219195 XYUPDFOMCARLLN-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE CSc1cccc(N[C@@H]2CC[C@H]3CCCC[C@H]32)c1C#N 714289552 GOYXAXSWXZEFTG-XJKCOSOUSA-N 286.444 4.661 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(F)c3ccccc23)CC1 714894622 PONXNHYSCFSHIT-GFCCVEGCSA-N 268.331 4.908 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1cc2ccc(F)cc2s1 715816676 YBEVEKPBILCWQG-MEDUHNTESA-N 277.408 4.903 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1Nc1ccc(C#N)c(Cl)c1 717555489 QQYNARKFEVNSDG-ABAIWWIYSA-N 276.811 4.838 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]2COCC[C@H]2C1 723629846 XDIRXUHDNIUSOK-XLAORIBOSA-N 281.484 4.530 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(OC(C)C)c2)CC1 724558817 DUIVTWFDSNPNHA-SFHVURJKSA-N 274.404 4.644 30 10 CJEE ON=C(CC12CC3CC(CC(C3)C1)C2)c1cccs1 725274144 PAJPRCVRVRQIJW-UHFFFAOYSA-N 275.417 4.533 30 10 CJEE CSc1c(CC#N)c(C(F)(F)F)cc2sccc12 725316435 VYDCHMFIOQNHEG-UHFFFAOYSA-N 287.331 4.708 30 10 CJEE C=CCC1(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CCC1 1125600306 SBPZNATVLZAFTH-ULQDDVLXSA-N 291.479 4.557 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)C2CCCCCC2)CCCCC1 1127958134 WFWRMCDNRWQQBM-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=CCC(C)(C)CNC(=O)CCCCCc1cccs1 1129234046 FRNKBNMKEPCPNF-UHFFFAOYSA-N 293.476 4.570 30 10 CJEE C=CC(C)(C)CCCNC(=O)c1cc2c(C)cc(C)cc2[nH]1 1154224199 SNKGWKNNBIJMST-UHFFFAOYSA-N 298.430 4.507 30 10 CJEE C#CCCCCCCN[C@H](CC)c1ccc(C)c(F)c1 1168826504 UUTSKUWGIZIAEK-GOSISDBHSA-N 275.411 4.759 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(C2CC2)nc(C2CC2)n1 1187014671 SJUGDVLUJIVFSQ-CZUORRHYSA-N 297.446 4.778 30 10 CJEE C=CCCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F 1194165483 SYEZYBYFESIZMT-CYBMUJFWSA-N 285.353 4.534 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H](CC)c1ccccc1 1288552784 FSHRFQOXINTRCR-INIZCTEOSA-N 287.447 4.679 30 10 CJEE C#C[C@@H](N[C@H](CC)CCc1ccccc1)c1ccc(F)cc1 1308786265 LENIHCZHNXVKRT-WOJBJXKFSA-N 295.401 4.501 30 10 CJEE C=C[C@@H](CC)CC(=O)OCCCc1cccc2ccccc12 1354107495 NNPBAQIQRSGYGR-INIZCTEOSA-N 296.410 4.918 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 1436715351 PTDRJTKAVDACCK-BPQIPLTHSA-N 299.458 4.677 30 10 CJEE C=CCCC1(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCCC1 1437643368 XUTMXYVTXIITAL-IXDOHACOSA-N 291.479 4.702 30 10 CJEE C=C1CC(C)(C(=O)N[C@H](CC)c2cccc3ccccc23)C1 1455890237 RHIHWESVXBYZMQ-GOSISDBHSA-N 293.410 4.763 30 10 CJEE C=CC1(CC(=O)O[C@@H]2CC[C@@H](C)C[C@H]2C)CCCCC1 1456641173 HBQNWLLSIGDSLS-BZUAXINKSA-N 278.436 4.881 30 10 CJEE C=CCCCCCSc1ncc(C(C)(C)C)o1 1459000634 PJZRHEAHJRRUDM-UHFFFAOYSA-N 253.411 4.811 30 10 CJEE C=C(C)CCC(=O)NC(C)(C)CC1CCCCCC1 1459043445 KWUDDYMILQBHSM-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C#CCCCCCCN(c1ccc(F)cc1)C(C)C 1459751672 FRFGHSUMUASDJM-UHFFFAOYSA-N 261.384 4.624 30 10 CJEE C=CCn1c(SCCCC(C)C)nc2ccccc21 1472916796 ONVPKTICMQKHPO-UHFFFAOYSA-N 274.433 4.751 30 10 CJEE C=C(C)CN(CCCSC(C)(C)C)Cc1ccccc1 1473444672 YHMOOKGDGNDPLU-UHFFFAOYSA-N 291.504 4.987 30 10 CJEE C#CCN(CCCC1CCC1)[C@H]1CCCc2ccccc21 1473826534 RJOHPVLKGBIKKF-FQEVSTJZSA-N 281.443 4.580 30 10 CJEE C=CCC[C@@H](C(=O)N(C)C1CCCCCC1)c1ccccc1 1532075406 KBRMKZZQPKKLMW-LJQANCHMSA-N 299.458 4.918 30 10 CJEE C=CCN(C(=O)/C(C)=C\c1ccccc1Cl)C(C)(C)C 1532928236 APZVWZLAFYQUKJ-SEYXRHQNSA-N 291.822 4.556 30 10 CJEE C=CCCCCCCNC(=O)c1ccc2sccc2c1 1539608671 FPYZBUQVQXJTEJ-UHFFFAOYSA-N 287.428 4.768 30 10 CJEE C=C(C)CCOc1ccc(SC(F)(F)F)cc1 1559410134 VCBLWNRZEWKCIB-UHFFFAOYSA-N 262.296 4.644 30 10 CJEE C#CCCCCCCSc1nc(C(C)(C)C)co1 1559479236 WRISAYNYEFFKCN-UHFFFAOYSA-N 265.422 4.648 30 10 CJEE CC#CCN(C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 1559575617 IEDXUXBPVVTOAN-OALUTQOASA-N 273.464 4.613 30 10 CJEE C=CCCCN(CC)Cc1nc(-c2ccccc2)cs1 1560204277 FEFBOYUZEPWXJT-UHFFFAOYSA-N 286.444 4.598 30 10 CJEE C=CCC[C@H](N[C@H]1CC[C@@H](C)SC1)c1ccccc1 1560405473 CRVMECHRGCQAMN-PVAVHDDUSA-N 275.461 4.568 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCc1ccccc1 1560997125 LTLFOMFLXZUKQB-INIZCTEOSA-N 259.437 4.590 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCC1CCCCC1 1617459078 VBHWFYCZSUPKQG-DLBZAZTESA-N 277.452 4.598 30 10 CJEE C=CCCCNCc1ccc(OCc2ccc(C)cc2)cc1 1620924434 WFVSFHXLGQHHPG-UHFFFAOYSA-N 295.426 4.630 30 10 CJEE C=CCCC[C@H](NCc1cc(C)nc(C)c1)c1ccccc1 1621048355 FWKZDOZBJRNLKQ-FQEVSTJZSA-N 294.442 4.886 30 10 CJEE C=C(CC)C(=O)N(C)c1ccc2c(c1)oc1ccccc12 1624404694 UBDPOQCMJBEASG-UHFFFAOYSA-N 279.339 4.515 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1 1627395314 VHMKOACDIACINB-HKUYNNGSSA-N 295.357 4.543 30 10 CJEE C=CCCC(C)(C)CNc1ncnc2sc(CC)cc12 1640254931 PPHRHQLORJYQBW-UHFFFAOYSA-N 289.448 4.658 30 10 CJEE Cc1ccc(S[C@H](C#N)C2CCCCC2)c(C)c1 1640692895 DESXALMYZGMYBW-MRXNPFEDSA-N 259.418 4.868 30 10 CJEE C=C(CC)CN(CCC)[C@H]1C[C@@H](OCC)C12CCCCC2 1653485739 QHIVGAWLTQHYTM-ZWKOTPCHSA-N 293.495 4.793 30 10 CJEE C=CCCCN(Cc1ccccc1F)c1ccccc1F 1653715713 NZVQXLONKLXZDI-UHFFFAOYSA-N 287.353 4.938 30 10 CJEE C=CCCCN(CC)Cc1ccc(OC(C)C)c(Cl)c1 1655015040 ZWXVYYZTZLOTPF-UHFFFAOYSA-N 295.854 4.915 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1C[C@H]1c1ccccc1 1658427241 DKXNVNVRAWPISI-BZSNNMDCSA-N 257.421 4.515 30 10 CJEE C=CCC[C@@H](C)NC[C@@H](C)Oc1ccc(C(C)C)cc1 1659157431 CGEIDVDGGSQPQC-HZPDHXFCSA-N 275.436 4.522 30 10 CJEE C=CCn1ncc2ccc(NC[C@H]3CCCC(C)(C)C3)cc21 1663374726 MCSKDFIOWYMTOE-HNNXBMFYSA-N 297.446 4.851 30 10 CJEE CC1=C(/C=C/C(C)=C\C#C/C(C)=C/CO)C(C)(C)CCC1 1775964579 GCOWPJRSSDVABG-CDIUEATISA-N 284.443 4.958 30 10 CJEE N#Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl 1848362202 LQSHYVQASMHTOF-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CC1(CNc2cc(Cl)ccc2C#N)CCC2(CC1)CC2 1875708142 BYCNPKXCGKYZAS-UHFFFAOYSA-N 288.822 4.984 30 10 CJEE N#CC1(CC2CC3(C2)C(F)(F)C32CCC2)CCCC1 1881851630 WLKWLLPZMJZXLA-UHFFFAOYSA-N 265.347 4.676 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1CC(=C2CC2)C1 1882379060 DZNNDBJHSAMMPK-UHFFFAOYSA-N 267.416 4.565 30 10 CJEE C=C(CN(C)[C@@H](CC)C1CCCC1)c1ccccc1 1883337504 KCWQOLLMCOISIC-SFHVURJKSA-N 257.421 4.600 30 10 CJEE CCCCCCCCCCN(C)[C@H]1COC(C)(C)C1 1883833626 AZFPNAVTBJQLCD-MRXNPFEDSA-N 269.473 4.626 30 10 CJEE C=CCN(Cc1sc2ccccc2c1Cl)CC1CC1 1884118281 KCVRYONEQWIQII-UHFFFAOYSA-N 291.847 4.953 30 10 CJEE CC#CCCCCC1(N)CC2(CCC(C)(C)CC2)C1 1885369238 XEMZYGUDYPCBCA-UHFFFAOYSA-N 261.453 4.648 30 10 CJEE C#CC[C@H](CN[C@@H](C)c1cc(Cl)ccc1Cl)C1CC1 1887366528 UFCFBKZOPWXIGR-WCQYABFASA-N 296.241 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CCCCCC#CC[C@@H](O)C1(C)CCCCCC1 2083397071 JXQOATPUZSBCES-MRXNPFEDSA-N 250.426 4.682 30 10 CJEE CCCC#CC[C@@H](C[C@@H](CC)C(C)(C)C)NCC 2083412559 YFLGWUTUAQHMTE-CVEARBPZSA-N 251.458 4.621 30 10 CJEE C=CCCCCCC[C@@H](O)CC1CC2(CCC2)C1 2085839975 SVFANDUCFLBVHR-MRXNPFEDSA-N 250.426 4.844 30 10 CJEE C=CCCCCCC[C@H](CC1CC(F)(F)C1)NC 2085846685 IPMJMGJNHMPQNW-CQSZACIVSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCCN(CC(C)(C)C)OC 2086239613 JUDXXMSTLBDEFO-UHFFFAOYSA-N 255.446 4.813 30 10 CJEE C=CCCCCCCCCC(=O)CCP(C)(C)=O 2086278694 LGTKJMFXXYQRMF-UHFFFAOYSA-N 272.369 4.875 30 10 CJEE C=CCCCCCCCCCN[C@@H](C)C1(F)CC1 2086283349 UWYZVZDHOZMYTR-HNNXBMFYSA-N 255.421 4.773 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCCCC[C@@H]1OC 2088262115 QOXKJGPCURUPSA-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@H]1N[C@H](C2CCCC2)CO1 2088326045 CAEZZSKJVVGOQY-IRXDYDNUSA-N 267.457 4.632 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1C[C@@H]2CCCC[C@H]21 2089189170 VPYBUVKSBKYXKM-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE 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30 10 CJEE C#Cc1cccc(N[C@H](C)c2ccc(Cl)cc2F)c1 2095577032 KPLGXDXTTPWEJW-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CCCCCCCCOc1ccc(CCN)c(Cl)c1 2096995748 LUEKGDZNQVDIIB-UHFFFAOYSA-N 283.843 4.581 30 10 CJEE CC1(C)CCC(C=O)(CC2CC3(C2)CC3(F)F)CC1 2098000375 VPDCPLPTBFMBLS-UHFFFAOYSA-N 270.363 4.597 30 10 CJEE C=C1CCC(C[C@@](C)(N)[C@@H]2CC3CCC2CC3)CC1 2098445548 OKDOTYFRMZRUSC-XAWIXRBMSA-N 261.453 4.667 30 10 CJEE C[C@H](Nc1ccc(Cl)c(C#N)c1)C1(C)CCCCC1 2101391513 UKEPKCVVPODVMJ-LBPRGKRZSA-N 276.811 4.982 30 10 CJEE C=CCC[C@H](C)[C@@]1(N)CCCC[C@@H]1c1ccccc1 2102101422 VKPCWFYVCNXBHF-JQHSSLGASA-N 257.421 4.644 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1cc2c(s1)CCSC2 2102110698 IEZQNXGKPJEEMS-MLGOLLRUSA-N 295.517 4.790 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]2[C@H]1C2(F)F 2102116738 QJPQDMHXLFCLAL-XGUBFFRZSA-N 274.395 4.779 30 10 CJEE CCC(CC)(CS)CN1CCCC12CCCCCC2 2102219961 QRYIETNZWGCHKU-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE C=CCCC[C@@H](N)c1ccc(OCCCCC)cc1 2107806006 FZGMTOJIXJXNDU-QGZVFWFLSA-N 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CCC[C@@H]1CCC[C@@H](N=C2N[C@](C)(CC)CCS2)CC1 2159463196 MCBBVJLBPINCKB-BFYDXBDKSA-N 296.524 4.987 30 10 CJEE CSc1cccc(NC[C@H]2CCC[C@@H](C)CC2)c1C#N 2159518714 NPKYECYDDQLNRI-KGLIPLIRSA-N 288.460 4.908 30 10 CJEE CC1(C)CCC[C@@]1(C)N=C1NC2(CCCCC2)CCS1 2159716192 LJCQRRFQMJOWIJ-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE O=C(C1=CCCC1)c1cccc(Oc2ccccc2)c1 2163977641 DPQNGBPOMRTXLX-UHFFFAOYSA-N 264.324 4.772 30 10 CJEE CCCCCCCC[C@@H](NC)C(C)(C)[C@@H]1CCCCO1 2164033451 JNVRMIWOUGJLGU-SJORKVTESA-N 283.500 4.920 30 10 CJEE C=CCOc1ccccc1[C@H](NCC)C(C)(CC)CC 2164109574 FDHZTLLANRWAGR-KRWDZBQOSA-N 275.436 4.728 30 10 CJEE C=CC1(C[C@](C)(N)c2cccc3ccccc23)CCC1 2168027523 FGKKBEUGUFLTHN-SFHVURJKSA-N 265.400 4.760 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@]2(O)CCCCC23CCC3)C1 2168552542 LQLIXAXCEKJHDL-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE C[C@H](c1cccs1)N(C)C[C@]1(C=O)CCCC(C)(C)C1 2168553391 FDUXHRLNOUENLY-PBHICJAKSA-N 293.476 4.526 30 10 CJEE CCCCCCCCCCCCOCC1CC(CN)C1 2168698235 PGACAQVKWDBQJW-UHFFFAOYSA-N 283.500 4.909 30 10 CJEE CCCCCCCN(C1CC1)[C@@H](C)c1ccc(O)cc1 2172393976 WITMLSFXBUUFPU-HNNXBMFYSA-N 275.436 4.888 30 10 CJEE CC1(CNC[C@H](C#N)C2CCCC2)CCCCCCC1 2172662278 SVIGKZYYHLQWEH-KRWDZBQOSA-N 276.468 4.657 30 10 CJEE C=CCCC[C@H](NCCC)c1c(C)cc(C)cc1OC 2173115671 OWRRXOGUTAVIKA-INIZCTEOSA-N 275.436 4.709 30 10 CJEE CCCc1nc(C[C@]2(C#N)CCCCC23CCC3)cs1 2173621564 GWLLYAGUDMNRPY-KRWDZBQOSA-N 288.460 4.892 30 10 CJEE N#C[C@@]1([C@@H](O)c2ccccc2Cl)CCCCC12CCC2 2173624818 FLYXDFQVZHSLLB-DOTOQJQBSA-N 289.806 4.628 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 2173646089 RMMYFAQTPGXJHE-OUCADQQQSA-N 289.341 4.597 30 10 CJEE Cc1ccc([C@H](O)[C@@]2(C#N)CCCCC2(C)C)cc1Cl 2173648785 OZVLHKPUSFUUMF-RDJZCZTQSA-N 291.822 4.792 30 10 CJEE CC(C)[C@@H]1CCC[C@@H]1CN(C)c1cc(Cl)ccc1C#N 2176483158 PFNIFSCAYOQOPF-ZBFHGGJFSA-N 290.838 4.720 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CCc2ccccc2C1 2178409341 HVTFTMPZOAYLBT-JTDSTZFVSA-N 267.416 4.902 30 10 CJEE CCCCCC1CC(N=C2N[C@@H](C3CCCC3)CS2)C1 2180053804 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CJEE CCCCCCCCN(C)CCC[C@H](CCN)C(C)C 2196741219 LUOJEZJQAIQICM-GOSISDBHSA-N 284.532 4.680 30 10 CJEE C#CC[C@H](C)CNC(=O)CCCCCCCCCCC 2196814240 UAVRKWVVQVKUGL-KRWDZBQOSA-N 279.468 4.683 30 10 CJEE C#CC[C@H](C)C[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 2196852590 CAZQEPVMIJIJOF-APAFKAMOSA-N 275.480 4.621 30 10 CJEE C#CC[C@@H](CC1(CNC(C)C)CCCCCC1)C1CC1 2196854492 ONAOMFSABGNHJM-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ncc(C)cc1F 2199285637 FNBJOPMZMBECFS-MRXNPFEDSA-N 280.431 4.930 30 10 CJEE C#CCCCC[C@H](NCC)[C@H]1C[C@H]1C1CCCCCC1 2200158817 AGRRXNVZNPMZSP-FHWLQOOXSA-N 275.480 4.765 30 10 CJEE C=CC[C@](C)(NC[C@H]1C[C@H]1C1CCCCCC1)C(F)F 2200292970 IBUCOOJJQLXJFN-VYDXJSESSA-N 285.422 4.782 30 10 CJEE N#Cc1ccc(Cl)c(NC[C@@H]2C[C@H]2C2CCCCC2)c1 2200323233 FROVAUKKNRJNDI-GJZGRUSLSA-N 288.822 4.840 30 10 CJEE CCCC#CC[C@H](NCCC)c1ccc(C2CC2)cc1 2203785225 LVULYZHATZIIGP-IBGZPJMESA-N 269.432 4.798 30 10 CJEE CCCCC#CC[C@@H](O)c1ccc(C)c(C(F)(F)F)c1 2203788539 ZPFNEVZTFMHSRD-OAHLLOKOSA-N 284.321 4.631 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@@H]1C[C@H](C)O[C@@H]1C 2206890105 DYRZXWGCCWGKFC-MLHJIOFPSA-N 281.484 4.695 30 10 CJEE C=CCCCCCC[C@H](NN)c1cc2c(s1)CCCC2 2206895954 YWGDRQYOCYEFOY-HNNXBMFYSA-N 292.492 4.658 30 10 CJEE C=CCCCCCCCCN(C)C[C@H]1CC[C@H](OC)C1 2207375155 DVPITLLVOQRLPY-ROUUACIJSA-N 281.484 4.650 30 10 CJEE C=CCCCCCCCCOCC[C@@H]1NCCC[C@@H]1C 2207431374 DZAWZOVBRXXBJL-ROUUACIJSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](O)CCCNC(C)C 2207439540 SMVONTDASCELNR-SFHVURJKSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)[C@H](CC)C(C)C 2207441401 IFKMOGBVURAOBA-FGTMMUONSA-N 283.500 4.664 30 10 CJEE CCCCCCCC[C@@H](O)C(=O)c1ccc(SC)cc1 2207447367 WSANATNPUJUPJL-MRXNPFEDSA-N 294.460 4.703 30 10 CJEE C=CCCCCCCC[C@H](O)c1cnccc1Cl 2220086835 GOPKFTHPMYIGMS-HNNXBMFYSA-N 267.800 4.685 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cncs1 2220090790 YESNJACRXAOQHN-CQSZACIVSA-N 266.454 4.710 30 10 CJEE CCCCCCCCCCNc1cn(C)nc1Cl 2223022335 NORQBMZWCZBXKY-UHFFFAOYSA-N 271.836 4.626 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@H]1CC[C@H](C)CC1 2223578168 AQDDFAGVSQKJRD-QAETUUGQSA-N 251.458 4.783 30 10 CJEE CCCCCCCC[C@@](C)(CNCCC)OCC 2223788475 IMVCHRKUKBREHO-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)C1C[C@H]2CCC[C@H](C1)C2 2225310380 FAKJJSQKZRBDBX-MUQADHOPSA-N 263.469 4.783 30 10 CJEE C=CCCCCCCC[C@H](O)c1ncoc1C(F)F 2227275174 WVCSXXJQMNQCEV-NSHDSACASA-N 273.323 4.562 30 10 CJEE C=CCCCCCCC[C@H](NCC)c1coc(C)n1 2227276828 UIZBMMTXOWBKAP-HNNXBMFYSA-N 264.413 4.550 30 10 CJEE CCCCCCC[C@](C)(O)c1ccnc(C(C)C)c1 2228110042 RORPUHXQKMMNOM-KRWDZBQOSA-N 263.425 4.773 30 10 CJEE CCCCCCCCCO[C@@H](CNC(C)C)C(C)C 2230988294 FSXZBBYLEPHSRV-KRWDZBQOSA-N 271.489 4.776 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(C)nc1C 2231899916 DHZBUZKIEMYLIA-QGZVFWFLSA-N 262.441 4.623 30 10 CJEE CCCCCCCC[C@@](C)(N)CCC[C@H]1CCCO1 2231910799 GJPGUNDOLBRPDY-DLBZAZTESA-N 269.473 4.804 30 10 CJEE C=CCC[C@@H](C)[C@@H](NC)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233658911 WWDWZZWUBXSCRH-MOTUXRJWSA-N 285.422 4.638 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC[C@H](C)[C@@H](NC)C1 2234042307 MTKUMTKYTFHMKM-KSZLIROESA-N 281.484 4.696 30 10 CJEE CCCN[C@@]1(C#N)CC[C@@H](SCCCCCC2CC2)C1 2235463677 JLOLKKHJGANINE-SJORKVTESA-N 294.508 4.504 30 10 CJEE C=CCCCCCCCNC[C@@H]1C[C@@H]1c1ccccc1 2235520527 AILZUUGUOKZCFG-RBUKOAKNSA-N 271.448 4.906 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](O)(CCC)C(C)(C)C 2235523935 KVVUYCZBULKTHO-SJLPKXTDSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1cncc(C)c1 2235524916 VTVBCSDNXHHJCU-GOSISDBHSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1sc(C)c(C)c1C 2236840972 CVGDXGHVTRRTBX-MRXNPFEDSA-N 294.460 4.802 30 10 CJEE Cc1cc(Cl)cc([C@@](C)(O)CC#CC2CCCCC2)c1 2237801644 SKYQYNWQUMNHSM-SFHVURJKSA-N 290.834 4.830 30 10 CJEE CCCCCCCCCCOc1ccc([C@H](C)N)cn1 2239494399 DCAHZKGBUMHZPI-HNNXBMFYSA-N 278.440 4.621 30 10 CJEE CCCCCCCCCO[C@@H]1CC2(CCC2)CC[C@H]1O 2239546200 NEABWDXUDMNICC-IAGOWNOFSA-N 282.468 4.837 30 10 CJEE C=CCC[C@@H](NCCC)[C@@](C)(O)CCCCCCCC 2240640216 OAZRHWYZUZTXHI-MSOLQXFVSA-N 283.500 4.822 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)C=C1CCCCC1 2240643645 AMAIRTMPQZGKGD-GOSISDBHSA-N 280.452 4.948 30 10 CJEE C=C1CC(C[C@H](NCCC)c2cccc3ccoc23)C1 2241193760 AXLGIBICCZYCLJ-KRWDZBQOSA-N 269.388 4.830 30 10 CJEE C=C(Br)CNc1cccc(C2CCCC2)c1 2245231139 GWWSQOGJTLRNRY-UHFFFAOYSA-N 280.209 4.665 30 10 CJEE CCCC[C@@H](CC)OCC1(CS)CCCCC1 2249886535 KBQJOOJVWUARPY-CQSZACIVSA-N 258.471 4.852 30 10 CJEE C=CCCCS[C@@H]1CCCCCCCC[C@H]1N 2250018499 JMHIKNOFUFAMLW-HUUCEWRRSA-N 255.471 4.516 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(Cl)ccc1F 2250159935 VBAKZDPWWTYCHE-AWEZNQCLSA-N 256.748 4.649 30 10 CJEE C=C(C)CCCCNc1cc(Br)cc(OC)c1 2250187283 IQSXCIIVVAZHIQ-UHFFFAOYSA-N 298.224 4.616 30 10 CJEE C#CC[C@@H](CSC[C@H]1CCCCC1(F)F)C1CC1 2256089900 AKNKYQJOUMPEIK-UONOGXRCSA-N 272.404 4.595 30 10 CJEE CCCCCCCCC(=O)c1csc(C)c1OC 2259132643 PZBBWJOQTFZZLC-UHFFFAOYSA-N 268.422 4.998 30 10 CJEE C=C(C)CCCC[C@@H](CCCC(C)(F)F)NCC 2259231430 JQZAOHDMQJYOIP-AWEZNQCLSA-N 261.400 4.927 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)C1(SC)CCC1 2259239616 QJWMYEBPGVXXQA-OAHLLOKOSA-N 269.498 4.777 30 10 CJEE N[C@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2261108912 IOTRWUWTLCINIP-OAHLLOKOSA-N 282.214 4.577 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ncc(C)s1 2263674211 ZHPWSBJMLCAPQN-HNNXBMFYSA-N 269.454 4.800 30 10 CJEE C=C[C@](N)(CC[C@H]1CCC[C@H](C)C1)c1ccccc1 2265055993 SMMUNHUWYAIYMZ-JZXOWHBKSA-N 257.421 4.633 30 10 CJEE N#C[C@]1(C[C@@H]2CC(F)(F)C23CCC3)CCC(F)(F)C1 2266258193 AJYRUGPOICFEJS-MNOVXSKESA-N 275.289 4.531 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(C)c(C)s1 2268769254 VYYKAERCZRNSRY-HNNXBMFYSA-N 275.461 4.621 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1C[C@]1(C)COC 2269291648 VJWWLIAYOYXEQV-DOTOQJQBSA-N 266.425 4.535 30 10 CJEE C=CCCCCCCCNC[C@H]1CCC[C@H]1C(F)F 2270048261 BHVSPDITKKXCLE-HUUCEWRRSA-N 273.411 4.784 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1C[C@H]1C1CCCCC1 2271784311 DGAPFZURHDYYJQ-KSZLIROESA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@H](CC(C)C)OCCC(=O)O 2275412010 SIIZFCKJDUUGOL-OAHLLOKOSA-N 272.429 4.643 30 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2293521667 JIKIDBDPLSAIMB-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C1CCC(C[C@@H](OCCN)c2csc(C)c2C)CC1 2294094126 BNRWTPMHHXQJMQ-QGZVFWFLSA-N 293.476 4.518 30 10 CJEE CCc1ccc(C(=O)C=Cc2c(F)cccc2Cl)cc1 2294300144 WVNJZIFTVUDNCV-UHFFFAOYSA-N 288.749 4.938 30 10 CJEE CCCCCCC[C@]1(OCCCN)CC(C)(C)C[C@H]1C 2294349806 XNNOUOSPIFODFO-AEFFLSMTSA-N 283.500 4.907 30 10 CJEE CCC1CCC([C@](C)(N)C#Cc2ccccc2Cl)CC1 2295223882 HLFMNUDGCNBNKK-JFUPDXTOSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@]1(O)CCC[C@H]1C 2295679367 OOIHETRWSZVLHQ-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](C)NCCO[C@@H]1CC1(F)F 2295681856 KRVBUKOQKMQUPA-HUUCEWRRSA-N 291.426 4.529 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C2CC2)s1 2304129804 VJNTWSBKUITFNR-GJZGRUSLSA-N 250.407 4.651 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(F)c(Cl)c1 2313544976 PTLVUEDUFAEYQC-NSHDSACASA-N 267.775 4.651 30 10 CJEE C=CCC(CC=C)[C@](C)(N)c1cccc(Cl)c1Cl 2316734478 RMVMOMITPOVDTQ-HNNXBMFYSA-N 284.230 4.936 30 10 CJEE 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10 CJEE CCCCCC#CC[C@H](O)c1c(F)ccc(C)c1Cl 2335406677 PLBMORRCFLJFQK-AWEZNQCLSA-N 282.786 4.795 30 10 CJEE CCCCCCCC[C@@](C)(O)C#CC1(SC)CCC1 2336182135 HYBGWZFXHMJCTD-MRXNPFEDSA-N 282.493 4.777 30 10 CJEE CCCCC[C@H]1CC[C@H]([C@H](N)C#CC2CCC2)CC1 2337542219 ZCJIBQRKYOUBSF-KZNAEPCWSA-N 261.453 4.504 30 10 CJEE C=CC[C@H](C)[C@H](CC1(C)CC2(CCC2)C1)NCCC 2344336789 LQVXRMOQYRGUSE-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC[C@@H]2C[C@@H]2C1)NCC 2344337544 RKYMXLHNRAKDPY-RZFLPCETSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NC 2344340356 QTQPSAJLLQALLY-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCCCCCCC)NN 2344472972 GAHIIWVKZJVCFE-IAGOWNOFSA-N 268.489 4.951 30 10 CJEE C=C1CC([C@H](CC[C@@H]2CCC(C)(C)C2)NCCC)C1 2344894943 PCRVGEMCOYWNBV-WBVHZDCISA-N 263.469 4.927 30 10 CJEE CN(Cc1ccccc1Cl)C[C@@](C)(CS)C(C)(C)C 2352078325 HEDHVMFDVDCZGI-INIZCTEOSA-N 299.911 4.754 30 10 CJEE C#CCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 2352583997 YZCAITQBXLJWCD-UHFFFAOYSA-N 298.213 4.906 30 10 CJEE CCN[C@](C#N)(CC)CCCSCC1CCC(C)CC1 2360509552 XIWNMDAASAOFLF-OFLPRAFFSA-N 296.524 4.608 30 10 CJEE N#CCCCCN(C1CCCCC1)C1CCCCC1 49579356 VZQKWEZRBHFQEC-UHFFFAOYSA-N 262.441 4.648 30 10 CJEE Cc1ccc([C@@H](C#N)CCOc2cc(C)c(C)cc2C)cc1 57684967 SJDVCNOICQTCQK-LJQANCHMSA-N 293.410 4.997 30 10 CJEE Cc1ccc(C)c([C@@H](C#N)CCCc2ccccc2)c1 57695668 FHLXHEUPNCOTSM-GOSISDBHSA-N 263.384 4.934 30 10 CJEE CCCCCCCCNc1cccc(NC(=O)C2CC2)c1 59090554 ATPXYUKYQXFWIG-UHFFFAOYSA-N 288.435 4.808 30 10 CJEE C=CC[C@H]1C=CC[C@H](CC=C)N1C(=S)Nc1ccccc1 59461070 IAWRGTSWRPSYFQ-IRXDYDNUSA-N 298.455 4.535 30 10 CJEE C[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 88513555 SKDPDXXFLDMHPE-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE CCC[C@H](CS)COc1cccc2ccccc12 94583010 CTQNFLGMIUAJKL-ZDUSSCGKSA-N 260.402 4.565 30 10 CJEE CCC(CC)(CS)COc1cc(C)cc(C)c1C 94584212 URHJGOQYFJZQED-UHFFFAOYSA-N 266.450 4.727 30 10 CJEE Cc1cc(C(C)(C)C)ccc1OCC(C)(C)CS 94584354 WRLFDCZNSIPPQX-UHFFFAOYSA-N 266.450 4.627 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(C)c2ccccc2n1 97816789 QJAMSZBXKFMHHE-GOSISDBHSA-N 282.431 4.940 30 10 CJEE CCCCCCC[C@H](C)Nc1ccccc1[C@@H](C)O 105100377 HMLUDZTVJISIBE-LSDHHAIUSA-N 263.425 4.901 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(C(F)(F)F)ccc1OC 107474206 MXLBBSVNRIFQLY-VXGBXAGGSA-N 284.321 4.867 30 10 CJEE Cc1cc(C)cc(N(C)c2ccc(C#N)c(Cl)c2)c1 110257480 BBBJEDQPICOOMF-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE CCCc1ccc(Oc2ccc(C#N)cc2Cl)cc1 110263086 LPPNOWQFQNATJW-UHFFFAOYSA-N 271.747 4.956 30 10 CJEE CCCC1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265387 FZNXRAIBDPTBOX-KURKYZTESA-N 290.495 4.853 30 10 CJEE CCCCCCCCC(=O)Nc1cccc2c1NCCC2 115855505 QTZZBANIFWRBBR-UHFFFAOYSA-N 288.435 4.734 30 10 CJEE CCCCCC(CCCCC)NCC(C)(C)C#N 122253658 RMUOKFJDHUTLKC-UHFFFAOYSA-N 252.446 4.655 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@]1(C)CCCO1 123611901 WLDJJZKHWNPYHA-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@H](O)Cc1ccn([C@H](C)CC)n1 125018997 AMPMRSQSDKGRIR-WBVHZDCISA-N 280.456 4.508 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1n1c(S)nc2ccc(C#N)cc21 125086780 CWMFPUPNKWSGOO-HIFRSBDPSA-N 299.443 4.584 30 10 CJEE CCCCCCCC[C@@H](CC[C@H](C)OC)NCCC 140306832 TVLWLASBTIQWEY-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE C=C(CNc1ccc(OCCC)cc1)c1ccccc1 148033829 UTOMWXMLXAKUCF-UHFFFAOYSA-N 267.372 4.601 30 10 CJEE CCCCCCCC(=O)[C@@]1(OC)CCC[C@H](C)C1 161008484 LAFZMFLZODUEIN-GOEBONIOSA-N 254.414 4.511 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)C)CC[C@H]1CNC(C)C 227531670 LUBXCTPOXOOLRS-ULQDDVLXSA-N 251.458 4.639 30 10 CJEE CCCCCCCCC(=O)Nc1cccc(C)c1C#N 227864865 SRUMNCQOUQLHPR-UHFFFAOYSA-N 272.392 4.556 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2nc3ccccc3s2)C1 228475321 HIGSSZNPYDSPQL-MLGOLLRUSA-N 270.401 4.559 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2ccccc2O1 229397945 WPBFSCVQEZQYAU-NVXWUHKLSA-N 262.393 4.622 30 10 CJEE Cc1ccccc1CSCCCCC(C)(C)C#N 235781967 WXDXKJYXFFBUPK-UHFFFAOYSA-N 261.434 4.948 30 10 CJEE O=C(C1=CCCCCC1)[C@H]1CCCC[C@@H]1C(F)(F)F 236139082 LGXBVIZHLWQVLY-STQMWFEESA-N 274.326 4.815 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)cc1Cl 236270312 TXESGQYJQGDMMS-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CCC)CC[C@H]1NCC 250824932 NDSYHOCKWGGVOJ-KZNAEPCWSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCCN1C[C@H](CC)NC[C@H]1C(C)C 250831549 RMOUADHDDKBGLX-OALUTQOASA-N 296.543 4.836 30 10 CJEE COc1ccc([C@@H]2CCCCC[C@H]2[C@@H](C)C#N)cc1OC 251066849 XGLNHUZVWCMGLM-BPUTZDHNSA-N 287.403 4.527 30 10 CJEE CC1(C)CC(=NO)c2cnc3ccc4ccccc4c3c2C1 254381753 WBKLTQPDCLZYHH-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE CCC(CC)c1ccc([C@H](C)C#N)cc1Br 260474973 KSXRJKUFJGKXQQ-SNVBAGLBSA-N 280.209 4.980 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@H](C)CC(C)C 300517741 JDIHZQNXVUSLDG-MSOLQXFVSA-N 284.532 4.821 30 10 CJEE CCCCCCCC[C@@H](NC)c1cncc(Cl)c1 308014242 OSOMFKUCGOKFDG-OAHLLOKOSA-N 268.832 4.746 30 10 CJEE C=C(COCCC)[C@H](NCCC)[C@@H](CCC)CC(C)C 308063680 KDCDOBIQFMZFPK-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CCc1ccc([C@@H](C)Nc2cc(C)cc(C#N)c2)cc1 308122496 OQCKXMZSERXUMS-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CC(C)(C)c1ccc([C@@]2(C)CCC[C@@H](CC#N)O2)cc1 312602885 FCVQLKXQCKRQND-FUHWJXTLSA-N 271.404 4.682 30 10 CJEE CCC1CCC(C=O)(C2C[C@@H](C)C[C@H](C)C2)CC1 316779188 FZMWTPPRGPKCJP-JPQBHMHHSA-N 250.426 4.844 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2F)C1 317260542 FWMHKLXOVMXJGQ-LRDDRELGSA-N 282.786 4.807 30 10 CJEE CC#CCCC1(CNC(C)(C)C)CCC(C)(C)CC1 318649464 HLRYAGITBCPNBC-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE Cc1cc(CC2(C#N)CCC(C)(C)CC2)cc(Cl)n1 321296863 LJSJAOVPLDCQDR-UHFFFAOYSA-N 276.811 4.696 30 10 CJEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CC[C@@H](C)C1 379717288 PVNRSLSREGBENW-TYNCELHUSA-N 292.220 4.883 30 10 CJEE C=CCCCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C 384492188 LVNKIEIWZAAICG-ULQDDVLXSA-N 251.458 4.927 30 10 CJEE Cc1cc(NCCCCC(C)(C)C#N)c(Cl)cc1F 388112806 HSQBJBWKCAZCOM-UHFFFAOYSA-N 282.790 4.920 30 10 CJEE C[C@@H]1CCC[C@@H](CC2(C#N)Cc3ccccc3C2)C1 389018216 YLJCQQRRIVQXNB-HUUCEWRRSA-N 253.389 4.512 30 10 CJEE CCc1cc(N[C@H](C)c2cccc(C#N)c2)ccc1C 394453419 LEOVCQGLHINOCK-CQSZACIVSA-N 264.372 4.602 30 10 CJEE CC[C@@H]1CC[C@H](CNC2CC2)[C@@H](CC#CC(C)(C)C)C1 394460559 QVCNQYXCJFCUBB-IXDOHACOSA-N 275.480 4.621 30 10 CJEE C=C[C@H](C)ON[C@@H](C)c1ccc(-c2ccccc2)cc1 400825103 KESPYPBXRIDNGC-GJZGRUSLSA-N 267.372 4.510 30 10 CJEE C=C(C)CON[C@@H](C)c1ccc(-c2ccccc2)cc1 400876301 VLNLGTHOAXSGDW-HNNXBMFYSA-N 267.372 4.512 30 10 CJEE C=C(C)CCS[C@@H](C)c1nc(-c2ccccc2C)no1 507090471 WZYKBQICBPRNSJ-ZDUSSCGKSA-N 288.416 4.805 30 10 CJEE C=CCOc1ccc(CN[C@H](c2cccs2)C2CC2)cc1 642972750 KEDAFHNRLCKZGO-SFHVURJKSA-N 299.439 4.554 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1C[C@@H](C)O[C@@H]1C 686464356 NRLJNLLKQQIDPU-VQHPVUNQSA-N 269.473 4.529 30 10 CJEE C#CCCCCC[C@@]1(O)CCC[C@H](C(C)C)CC1 686682988 ROKREIXUCKOOTD-DLBZAZTESA-N 250.426 4.538 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)s1 686700514 ASLHGJAQOJEHDN-HNNXBMFYSA-N 263.450 4.681 30 10 CJEE CCCOCCC1(C#N)CC(C)(C)CC(C)(C)C1 688337081 ZKMLIZOIAQHNOL-UHFFFAOYSA-N 251.414 4.549 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C)cc1Cl 692280595 MINHSHXEMSJBDS-PBHICJAKSA-N 277.839 4.873 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H]1CNc2ccccc21 695628147 FMNJABDMYFZONC-AEFFLSMTSA-N 275.436 4.697 30 10 CJEE CCc1ccc(CC)c(N[C@H](C)CC(C)(C)C#N)c1 695816107 JKLOJZJKLQWPNJ-CYBMUJFWSA-N 258.409 4.552 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2C[C@@H]2C1 695836208 XIOBNPXRQMIDNW-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=C1C[C@H]2CC(Nc3cc(OC)ccc3Cl)C[C@@H](C1)C2 697335037 ZKZYUDBLDCUDRN-PBWFPOADSA-N 291.822 4.895 30 10 CJEE C=CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCCCC 698901676 KQOXCXBWRUMKES-QGZVFWFLSA-N 294.439 4.662 30 10 CJEE C=CC(C)(C)CCN[C@H](c1ccccc1)c1ccco1 701895254 CKLQDGCONTVBHQ-QGZVFWFLSA-N 269.388 4.561 30 10 CJEE CCCCCCC[C@@H](O)CC1(c2ccccc2)CC1 702835661 FGDVEQHKUFZWAD-QGZVFWFLSA-N 260.421 4.830 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 704020744 BAHZTQRJJBQLOH-HDMKZQKVSA-N 263.469 4.783 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CC(C)(C)OC1(C)C 711359142 ITTHRZUSLCLOSN-KBXCAEBGSA-N 281.484 4.551 30 10 CJEE N#Cc1ccc(N[C@H](C2CCCC2)C2CCC2)cc1Cl 711832334 ISNDPADHHMVUTK-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE CCCCCCCCCC[C@@]1(O)CCC[C@H](NCC)C1 712830461 SUOUQJIPLJLFTO-ZWKOTPCHSA-N 283.500 4.800 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc2sccc2s1 715720560 OAAFBAXIKNJZQF-QMTHXVAHSA-N 265.447 4.826 30 10 CJEE C=C1CCC(C[C@@H](NCC)c2sccc2F)CC1 724550597 YMVJQQYTAOTQIS-CQSZACIVSA-N 267.413 4.674 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cc(F)ccc2F)CC1 724566507 ODMNZPUWNHIUBQ-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2F)cc1Cl 766492015 UJUAZAXTGYHAGP-ALCCZGGFSA-N 299.732 4.555 30 10 CJEE Oc1ccc2ccccc2c1/C=N\[C@@H]1CCCC(F)(F)C1 767690582 REMMMHAXOZMYMV-RBFBNPFJSA-N 289.325 4.542 30 10 CJEE CC/C(=N\OCc1ccccc1C)c1ccc(F)c(F)c1 821225963 UNXBBAAMXVSAKB-LVZFUZTISA-N 289.325 4.604 30 10 CJEE Cc1ccc(CO/N=C(/c2ccc(C)cc2)C2CC2)cc1 821227239 SECBTBQVQDJFOJ-VXPUYCOJSA-N 279.383 4.634 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(C)s1 917044995 VPZIFICAVHBQND-MDZDMXLPSA-N 284.380 4.517 30 10 CJEE CCCCCCCCNC(=O)c1cccc(-n2cccc2)c1 1127271316 MGTOOSSNUUPYNC-UHFFFAOYSA-N 298.430 4.568 30 10 CJEE C=CCC1(CNC(=O)[C@H](CCC)c2ccccc2)CCCC1 1128964343 RUWBGTKZQJSZGT-GOSISDBHSA-N 299.458 4.823 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@@H]2CCCc3ccc(C)cc32)C1 1178831363 QRWQMRNGOFYPCP-KVSKMBFKSA-N 269.432 4.707 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cccc2ccoc12 1178939651 NFJHWCLMVLGWNF-LJQANCHMSA-N 291.394 4.710 30 10 CJEE C=CCCCCN(Cc1cccc(C)c1)Cc1ccco1 1191645293 BSTPBGXOXJLTBA-UHFFFAOYSA-N 283.415 4.947 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2oc3ccc(F)cc3c2C)C1 1200673279 YVBUZIJFXBRDKR-ZFWWWQNUSA-N 287.378 4.715 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC/C(C)=C/c1ccccc1 1202797844 RDGLXROHPQUMLI-BKBDBRRMSA-N 291.438 4.867 30 10 CJEE C=CCCCN1C[C@@H](C(C)(C)C)Cc2ccccc21 1308000368 SWFPGNDWDKQNIQ-INIZCTEOSA-N 257.421 4.678 30 10 CJEE C=CCC1(NC(=O)N[C@@H]2CCC[C@H]2CCCC)CCCC1 1311866301 VMRYTWGHVFOLCI-HZPDHXFCSA-N 292.467 4.533 30 10 CJEE C=CCC1(C(=O)OCC2=CC[C@H]3C[C@H]2C3(C)C)CCCC1 1352338859 SAFXEQFFTSMFRI-JKSUJKDBSA-N 288.431 4.659 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)CCCC[C@H](C)CC 1353118109 QMTQJAPFOUDONA-QGZVFWFLSA-N 287.447 4.808 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCCCC1 1353521086 DQISEWBPADLLIA-IXDOHACOSA-N 289.463 4.598 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H](CCC)CCc1ccccc1 1361008994 AACJZEYKKXYXLO-QGZVFWFLSA-N 287.447 4.506 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(C)CCC(C)CC1 1456305671 JMFZBXAVZBQAMB-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=CCN(CC1CCCCC1)C[C@@H]1CCCC[C@H]1C 1459492288 VMUXFLZBVQLAJQ-AEFFLSMTSA-N 263.469 4.881 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1Cl 1465184954 BPFWOLKLDPQRAD-OCCSQVGLSA-N 292.810 4.596 30 10 CJEE C=CCN(CC=C)C(=O)c1cc(C)c(-c2ccccc2)s1 1525882404 IXLPPIIWZZPWHB-UHFFFAOYSA-N 297.423 4.538 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H](CC)CCCC)C(C)C)c1 1528198819 JJEHEXVAIQKWKR-QGZVFWFLSA-N 285.431 4.626 30 10 CJEE C=C[C@H](CC)CC(=O)NCc1ccc(-c2cccs2)cc1 1531378258 KVGQSOFQLTWANG-CQSZACIVSA-N 299.439 4.634 30 10 CJEE C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1 1536249955 XXJXYFYQZAAIMM-ZWKOTPCHSA-N 299.458 4.774 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 1539550503 QILUPIKPWYMUSE-GOSISDBHSA-N 279.383 4.852 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCC[Si](C)(C)C 1565727408 ALYISLQJGWKAQC-UHFFFAOYSA-N 295.543 4.700 30 10 CJEE C=CC(C)(C)CCNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21 1586954858 YRGMGWYXQPOVLW-CVEARBPZSA-N 299.458 4.694 30 10 CJEE C=C[C@@H](OC(=O)[C@H](CCC)C(C)C)c1ccccc1 1587282736 IJBKOZFALLWWQY-HZPDHXFCSA-N 260.377 4.529 30 10 CJEE C=CCCCCCN[C@H](C)c1ccccc1OC(C)C 1616764783 XELOYVDXZYRREF-MRXNPFEDSA-N 275.436 4.871 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1ncc(-c2ccc(C)cc2)o1 1620640812 CJSVCLJNUHRPTL-QGZVFWFLSA-N 296.414 4.581 30 10 CJEE C#C[C@H](NC1CCC(CCC)CC1)c1ccc(Cl)cc1 1621368163 AQQBYMNMYPOPIO-UYJHFMRCSA-N 289.850 4.963 30 10 CJEE C#CCCCCCCNc1ccc(F)cc1C(C)(F)F 1621489356 BOAKTFGQSHVWJH-UHFFFAOYSA-N 283.337 4.933 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)C1 1632373335 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C=CCN(Cc1sccc1Cl)c1ccccc1 1664344925 CVRDDEIRTZRZBH-UHFFFAOYSA-N 263.793 4.594 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCc3cc(C)ccc32)c1 1673600497 JXXGXOUCWDSVGG-UHFFFAOYSA-N 292.382 4.623 30 10 CJEE C=CCN(C(=O)C(C)(C)C)C1CCC(C(C)(C)C)CC1 1860017562 JCSUOYVUUQJOHZ-UHFFFAOYSA-N 279.468 4.652 30 10 CJEE CCC1CCC(C[C@@]2(C#N)C[C@@H](OC)C2(C)C)CC1 1878385975 CTITYNZTVQKURH-BOXZVXIZSA-N 263.425 4.548 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](CCC)COC 1879025965 KOALCCXXMNSCDA-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CC[C@@](C#N)(CC1CC2(C1)C(F)(F)C21CC1)C(C)C 1881848397 BQFUUPCSXBZQBG-OWYJLGKBSA-N 267.363 4.778 30 10 CJEE CCCCCCCCCN(C)C[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 1883434519 UYGCHDMHBSHPNZ-ILOCAZANSA-N 263.469 4.571 30 10 CJEE CC#CCCCC[C@H](NCCC)[C@@H]1C[C@@H]1C(C)(C)C 1885227224 HCPJRLSJMPVNEX-IKGGRYGDSA-N 263.469 4.621 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1C[C@@H]2CC[C@@H]2C1 1885974504 LUZZTIPAWAISSH-XMTFNYHQSA-N 263.469 4.927 30 10 CJEE C#CC[C@@H](C[C@](C)(O)c1cc(Cl)ccc1Cl)C1CC1 1887098302 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4.610 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SC2CC2)C1 2008695858 JMTFUTZKAILEMD-OUCADQQQSA-N 251.439 4.627 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@@H]1C[C@@H](C)C[C@@H](C)C1 2030233351 FHGYAMNWFAUJKA-LTIDMASMSA-N 251.458 4.783 30 10 CJEE C[C@H]1CC(C[C@@]2(C#N)CCC(F)(F)C2)C[C@H](C)C1 2031818724 QXLBIBZZVRCOEF-BZPMIXESSA-N 255.352 4.778 30 10 CJEE C=C(CC)C[C@]1(CNCC)CCCC(C)(C)CC1 2039382912 AOENFMCCZRIENA-KRWDZBQOSA-N 251.458 4.929 30 10 CJEE CC1(C)CCC[C@@](C=O)(C[C@]2(C)CC2(F)F)CC1 2039386962 UYHPKJNCKVTYTH-KGLIPLIRSA-N 258.352 4.597 30 10 CJEE C=CC[C@H](CC)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2041738662 IZKTZDRYJRRMNJ-QMMMGPOBSA-N 289.162 4.668 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@H]1C(F)F 2041793750 QGDGMEKRPQCRPA-RDBSUJKOSA-N 262.384 4.779 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(C(F)F)cs1 2043111499 SJNIIYWBZISPLZ-LLVKDONJSA-N 276.396 4.551 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1cc(C)c(Cl)s1 2046762858 CHJZQJAZYWSDAP-LBPRGKRZSA-N 299.943 4.631 30 10 CJEE C=CCC[C@H](C[C@@]1(C)CCCCC1(F)F)NCC 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CCCCCCCC[C@@](C)(CN)N1CCCCC[C@@H]1C 2240556353 ORUFGUCOBORMCG-ROUUACIJSA-N 282.516 4.719 30 10 CJEE CCCCCCCC[C@](C)(OCc1cccs1)C(=O)O 2240615348 CGJBNNSMCCXTHP-INIZCTEOSA-N 298.448 4.859 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@@H]1CCCC[C@@H]1F 2240636708 AAISPVYMVRPGSM-VYDXJSESSA-N 286.431 4.585 30 10 CJEE SCC1(CSCC2=CCCCC2)CCCC1 2243236304 GNNRJGHYTGBFGO-UHFFFAOYSA-N 256.480 4.710 30 10 CJEE C=C1C[C@H]1CC(=O)c1cc(Br)cc(C(C)C)c1 2247268658 VQOCZBCFNVLOSZ-LBPRGKRZSA-N 293.204 4.721 30 10 CJEE C=C(C)CCCC[C@H](N)c1cccc(C)c1Cl 2250157241 VFSQENWNCMVPFK-AWEZNQCLSA-N 251.801 4.785 30 10 CJEE Cc1cc(NCC#CC(C)(C)C)c(Cl)cc1Cl 2252641100 BNEPFOHQCXRFAE-UHFFFAOYSA-N 270.203 4.763 30 10 CJEE C=CCCCCCCCC[C@H](O)C1CC(SC)C1 2256746329 CTLTVYBOJBABHG-GPANFISMSA-N 270.482 4.796 30 10 CJEE C=CC[C@@H](NCCC)c1cc(C)c2sccc2c1 2256882962 QAENHDDOWWNSNU-OAHLLOKOSA-N 259.418 4.827 30 10 CJEE C#C[C@@H](c1cc2sccc2s1)N1CCCCCC1 2258113733 NZOODHUMOGEWGX-LBPRGKRZSA-N 275.442 4.513 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)CC12CCCCC2 2259245616 WBMWKRZQBLCKMY-INIZCTEOSA-N 250.382 4.548 30 10 CJEE N#Cc1ccc(Cl)cc1SCC12CCC(CC1)C2 2261294594 WBKKQGKHNBGJPG-UHFFFAOYSA-N 277.820 4.884 30 10 CJEE CCC1CCC(C#N)(CC2(C)CC(F)(F)C2)CC1 2263771238 PJVXHUYSHOCUEO-UHFFFAOYSA-N 255.352 4.922 30 10 CJEE CCCCCC#CCC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 2264940886 NOHIKWDQJFLGSN-STQMWFEESA-N 274.326 4.508 30 10 CJEE CC1(C)C[C@@H]1CSc1ccc(C(F)(F)F)cc1C#N 2265216715 QNZQWDZYRAQEOR-LLVKDONJSA-N 285.334 4.715 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@H](N)CC=CC#CC(C)(C)C)C1 2268749149 XJLQEYPYNSOHFD-BRWVUGGUSA-N 261.453 4.526 30 10 CJEE C=CCCCS[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1NCCC 2271486814 BFIBNFHNMIKIRA-TWMKSMIVSA-N 281.509 4.633 30 10 CJEE C=CCCSc1c(F)cc(CN[C@H](C)CC)cc1F 2271489613 RNXUTJSSOZGSDJ-LLVKDONJSA-N 285.403 4.521 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2271834137 ZYYNLVKHRZJYQE-QAETUUGQSA-N 263.469 4.783 30 10 CJEE C=C(C)CCCC[C@H](Cc1cccc(Cl)c1)C(=O)O 2271842161 SYNXSCUUBHRWEP-CQSZACIVSA-N 280.795 4.720 30 10 CJEE C=CC=CCC[C@@H](CCCCCCCC)OCCN 2276656317 LEXLFJWYOKDXAM-KRWDZBQOSA-N 267.457 4.603 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2277677271 IQNBXAWAZAYACV-WDEREUQCSA-N 289.366 4.774 30 10 CJEE CCCCCCCCC[C@]1(C)N[C@@H](C(C)C)CCO1 2278124210 HCYKUJBXZVMQBF-IAGOWNOFSA-N 269.473 4.878 30 10 CJEE C=CCO[C@@H](C)CN[C@@H](C)CCCCCCCCC 2278233740 IYEZMSWBYBJELR-IRXDYDNUSA-N 269.473 4.696 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](C)C(=O)NC1(C)C 2278246779 KZVOYWAPHWYWHQ-PBHICJAKSA-N 267.457 4.678 30 10 CJEE COc1c(CC=CC#CC(C)(C)C)cccc1C(C)C 2284107793 PUYPGJMCQIXJOV-UHFFFAOYSA-N 270.416 4.967 30 10 CJEE COc1ccc(C(C)C)cc1CC=CC#CC(C)(C)C 2284113605 SDDBOBIBVZPWGI-UHFFFAOYSA-N 270.416 4.967 30 10 CJEE CCCCCCCC[C@@](C)(O)c1nccc2occc12 2284309010 JIGQAZRTPVWHGC-QGZVFWFLSA-N 275.392 4.786 30 10 CJEE CCCCCCCC[C@](C)(N)C[C@@H]1COC2(CCC2)C1 2284839344 GNTOGCMHTKXHOT-IRXDYDNUSA-N 281.484 4.804 30 10 CJEE CC(C)(C#N)CCCOc1cccc(OC(C)(C)C)c1 2285795784 CEKJWRWCLBODMQ-UHFFFAOYSA-N 275.392 4.573 30 10 CJEE C=C(C)CCCCN1CCCCC[C@@H]1c1ccncc1 2287380860 WTLOVODJXIPKIX-GOSISDBHSA-N 272.436 4.745 30 10 CJEE C=C(C)CCCC[C@@H](COC1(C)CCCC1)NCCC 2287409891 AEVBJZUJNOGVQE-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE C=C(C)CCCC[C@@H](O)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2287414760 RIIDRUPEPXLBEQ-WTXIUTQJSA-N 286.406 4.945 30 10 CJEE CC(C)CCC[C@H](C)CCN(CCC#N)CC1CCC1 2287886649 VKJWRRDQVYCWNN-KRWDZBQOSA-N 278.484 4.855 30 10 CJEE CCCN[C@H]1[C@H](C#CC2CCCCC2)CCCC1(C)C 2289713643 RYAQDNAHDOUIDG-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CN(CC#CC1CCCC1)[C@H]1CCC2(CCCCC2)C1 2289880750 JMLRWSAAFMCYNL-SFHVURJKSA-N 273.464 4.615 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(C)CCCCC1 2289882518 PRKUIIKTFJQRNP-GOSISDBHSA-N 275.480 4.909 30 10 CJEE CCCCCCCCC(=O)[C@@H](O)C1CC(C(C)(C)C)C1 2289932928 CNZXIQHWZSEAGK-DQPZFDDXSA-N 282.468 4.739 30 10 CJEE CC(C)(C)c1cccc(C[C@]2(C=O)CCC23CCC3)c1 2290290746 VPJWJMXTYUAMIS-IBGZPJMESA-N 270.416 4.676 30 10 CJEE C#C[C@@H](N[C@H]1CC(C)(C)CCC1(C)C)c1ccccc1 2290340422 LFKWDSOEWCBGSN-SJORKVTESA-N 269.432 4.555 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@]1(C)CC1(C)C 2290929016 WCDDQKDQPNZGKE-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@H](CCCCCCCC)OCC(=O)O 2291465316 NMZGPUGCMOXQHE-INIZCTEOSA-N 284.440 4.953 30 10 CJEE C=CCCCC[C@H](OCCCN)c1cc(C)ccc1Cl 2293271708 LLBYUSAREINWJL-KRWDZBQOSA-N 295.854 4.801 30 10 CJEE C=CCCCCCCCC[C@@](C)(OCCN)C(F)(F)F 2293993545 DFRDQKQOHMMTDG-CQSZACIVSA-N 295.389 4.590 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1CC(C)(C)C1 2294262071 ZCNHMWYGVKHANM-SFHVURJKSA-N 283.500 4.907 30 10 CJEE C=CCCCC[C@H](OCCCN)[C@H]1CCCC(C)(C)C1 2294404731 WATHHTXFNDCITP-IRXDYDNUSA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCC[C@@H](C(C)(C)C)C1 2294651905 QAAIZBDGFNJREZ-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE COc1ccc([C@H](C)N(C)CCCCCCCS)cc1 2294767170 KOSAQBAOVQMCBT-HNNXBMFYSA-N 295.492 4.568 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cnn(C(F)F)c1 2295596023 GNQWDSZQXIMXMW-HNNXBMFYSA-N 287.398 4.593 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1COCC[C@H]1CC 2295674529 RXOJPGLLSGEIPK-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)[C@H](C)CC(C)C 2295679004 LPNCKRHUBSDGDH-SQNIBIBYSA-N 285.516 4.888 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1cc(C)cs1 2295681827 KFZKPFQWLMFAPK-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE CCCCCC#CC=C1Cn2c(nc3ccccc32)S1 2297459439 ZIPCVDHCAONNHX-UHFFFAOYSA-N 282.412 4.610 30 10 CJEE Cc1ncccc1C=CC(=O)c1cc(Cl)sc1Cl 2297485189 QYHQSJBTGBOZLZ-UHFFFAOYSA-N 298.194 4.654 30 10 CJEE C=C(Cl)C[C@@H](CCC1=CCCCC1)NCCC 2301934651 GJCPDNLICUTNRK-OAHLLOKOSA-N 255.833 4.778 30 10 CJEE CS[C@H]1CC[C@@H]1OCCCCCCCCCS 2307306409 DGXNLCFJEQUJCQ-KBPBESRZSA-N 276.511 4.558 30 10 CJEE CCCCCCC[C@](C)(N)C[C@H]1C[C@@H]2CC[C@H]1C2 2312915443 LCULQJZXXVGRFQ-TWMKSMIVSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@@H](N)c1ccc(F)c(C)c1Cl 2316776136 ZUMNZEWXDXHPIR-CQSZACIVSA-N 269.791 4.924 30 10 CJEE Cc1c(C(=O)C2=C[C@H]3CC[C@H]2C3)ccc(Cl)c1Cl 2316980361 NGXBPOLVLANZKC-UWVGGRQHSA-N 281.182 4.841 30 10 CJEE CCCCCCCCCC[C@H](F)[C@H]1CCC[C@@H]1N 2318800252 KIGCZXXEXMBVGV-PMPSAXMXSA-N 257.437 4.983 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1COCCCCCCCS 2320143334 HEEILUHAOOOIBP-GJZGRUSLSA-N 272.498 4.956 30 10 CJEE C=CCC(C)(C)[C@@H](CC1(C(C)(C)C)CCC1)NC 2321104856 JNHRNODWTPYCKE-CQSZACIVSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]1C(C)C)NCCC 2321116711 LCFGHQWTIVHKSW-JYJNAYRXSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc2cccc(Cl)c2o1 2321139579 AEPXSYRNYUFEMR-CQSZACIVSA-N 263.768 4.688 30 10 CJEE CC1(C)CCC[C@](C#N)(CCCOC(C)(C)C)C1 2321963755 NAVWKEFFUSIWLW-INIZCTEOSA-N 251.414 4.692 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@H]2CC[C@@H]3C[C@H]23)CC1 2329153343 KBGMKTBDVCKZOE-OWSLCNJRSA-N 261.453 4.537 30 10 CJEE CC(=NOCc1ccccc1C)c1ccc2c(c1)CCCC2 2330454734 ZKIRLPVOMRNSEJ-UHFFFAOYSA-N 293.410 4.815 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1C[C@H]1COC 2331916325 BLHYDKBMMLJTTF-YESZJQIVSA-N 270.457 4.551 30 10 CJEE C=CCCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NC 2333327896 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CC(C)(C)[C@@H]1CC[C@H]1C[C@@]1(C#N)CCCOC1(C)C 2343241867 PTRHNUCEHKKFJE-JJRVBVJISA-N 263.425 4.548 30 10 CJEE C=C[C@@H](C)CN[C@H](CC)c1ccc(C(F)(F)F)cc1 2343734316 NFGAIZZVQVJZED-BXUZGUMPSA-N 271.326 4.568 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC[C@H](CCC)CC1 2352002612 CUMYZGZKCGIWBD-HOCLYGCPSA-N 284.465 4.890 30 10 CJEE CSc1ccc(COC[C@@](C)(CS)C(C)(C)C)cc1 2352174678 AKDYRXOEQBTJQT-INIZCTEOSA-N 298.517 4.907 30 10 CJEE CC(C)C[C@H](CS)COc1cccc2c1CCCC2 2353835922 WFJWJLCCACMZMQ-AWEZNQCLSA-N 278.461 4.536 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CC[C@@H]2C[C@H]1CO2)NCC 2359077313 PVQZBEJTKPGYKE-WNRNVDISSA-N 281.484 4.530 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@H]1CC[C@@H]2C[C@@H]2C1 2360129918 UYHPJFNELFPIKQ-XMTFNYHQSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H](C)CC1CCC1 2360310578 AVTWZOHUSADHIY-WMZOPIPTSA-N 283.500 4.907 30 10 CJEE C[C@@H](C[C@H](C#N)Nc1ccccc1Cl)c1ccccc1 43535272 HUMXQZQQVKDTFX-DZGCQCFKSA-N 284.790 4.838 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1ccccc1F 57741080 MCZXHESDRXNWLW-MRXNPFEDSA-N 297.373 4.808 30 10 CJEE Cc1cc(C)c(C[C@@](C)(C#N)c2ccccc2)c(C)c1 57760701 OAXQTQCYPGYIEN-IBGZPJMESA-N 263.384 4.636 30 10 CJEE CCCCCCC[C@@H](C)NCc1ccc(OC)c(OC)c1 59090075 ZMWWTBSLKDWNPJ-OAHLLOKOSA-N 293.451 4.542 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCc2occc21 59090426 WJXFMAVABAJOAD-HOCLYGCPSA-N 263.425 4.996 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCc2sccc21 61329638 JOICZIBZDHRQHQ-OAHLLOKOSA-N 288.803 4.569 30 10 CJEE N#Cc1cccc(-c2csc(C3CCCCC3)n2)c1 62938281 DOPBKMFVEJBZRC-UHFFFAOYSA-N 268.385 4.729 30 10 CJEE CC(C)COc1ccc(C2(C#N)CC(C(C)C)C2)cc1 86557861 CSQBBRXWVWIKCQ-UHFFFAOYSA-N 271.404 4.549 30 10 CJEE N#CC1([C@@H](O)c2cccc(Cl)c2Cl)CCCCCC1 91881590 UVLABRGTJMWTCX-AWEZNQCLSA-N 298.213 4.891 30 10 CJEE CCCCCC[C@H](C)OCC1(CS)CCCC1 94583958 BAVRHGBQRUZIGW-AWEZNQCLSA-N 258.471 4.852 30 10 CJEE CCCCCCC[C@@H](N)[C@H]1CCCc2ccccc21 104153971 WVWNMDXHNWLWES-ZWKOTPCHSA-N 259.437 4.794 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1ccc(F)c(Cl)c1 104410410 NWMCDBOJTPXKQB-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)c(C)cc1OCC 107621316 CDQDYQYHLNWXQU-GFCCVEGCSA-N 250.769 4.564 30 10 CJEE CCCCCCCCC(=O)c1ccc(F)cc1F 109711437 HQUZVSPFSDANTN-UHFFFAOYSA-N 254.320 4.898 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C#N)Nc1ccccc1F 110029084 PRWLENJQLIMKGF-JKIFEVAISA-N 274.383 4.592 30 10 CJEE CN(Cc1ccc(Cl)s1)c1ccc(Cl)cc1C#N 110255196 QNGAXBSKNWUGRX-UHFFFAOYSA-N 297.210 4.563 30 10 CJEE CCCCCCCCCOc1cc(C=O)ccc1[N+](=O)[O-] 110311306 LOVZDHGHCRXAEU-UHFFFAOYSA-N 293.363 4.537 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1ccccc1Cl)C(C)(C)C 111650594 MWLQQUXQAHYJGW-YPMHNXCESA-N 277.795 4.589 30 10 CJEE CCCCCCC[C@@H](O)Cc1ccc(Cl)cc1 111817316 QJONVCCQSQXMMI-OAHLLOKOSA-N 254.801 4.604 30 10 CJEE CCCCCCCCCCNCc1cccc2c1OCO2 113011936 ALYFXXJAHFDQCH-UHFFFAOYSA-N 291.435 4.646 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@H]1CC(C)C 114060774 NCZVNYGIYBZVPX-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1ccn(C)n1 115689187 YLDZEBAUKBFDED-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](NC)C12CCCCCC2 117340158 DZDKHGCWVZNPJE-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@@H](NN)c1cc(C)oc1C 122217251 AAAZIMXAMRAYGG-MRXNPFEDSA-N 266.429 4.542 30 10 CJEE CCSc1cccc(NC[C@H](C)C(C)(C)C)c1C#N 127094157 XEEQAWKHLJNAAW-LBPRGKRZSA-N 276.449 4.764 30 10 CJEE CCCCCCCCCCN[C@H]1CCCN(CCC)CC1 129239522 XVJJDQCHDWPKOP-IBGZPJMESA-N 296.543 4.981 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)CCO[C@@H]1C1CC1 131396804 REDBMVOCNPORKS-RTBURBONSA-N 295.511 4.778 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CCSC1 139460721 HIZOEOJAWFYQMM-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cc(C#N)ccc1Cl 155993406 PKHFUZJWTPOHDQ-RISCZKNCSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)CCCC(F)(F)F)C1 163799009 GSBHMQLBYJXOPF-MCIONIFRSA-N 291.357 4.580 30 10 CJEE C=C(C)CCn1c(C)c(C)c2cc(CNCCC)ccc21 164871942 SHDULXZRJNKJOB-UHFFFAOYSA-N 284.447 4.724 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 185207861 LTBZDLATWLJBRX-BBRMVZONSA-N 291.822 4.606 30 10 CJEE N#Cc1cc(NCc2ccc(F)cc2Cl)ccc1Cl 220156513 NPAJBWGVWWXGNJ-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1ccc(Nc2c(C)cccc2C#N)cc1Cl 220983026 ICSCFUZIDDKJQR-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCCC[C@H](N)c1cn(C)nc1CC 227571823 FJVBWNJOYKMYSQ-INIZCTEOSA-N 279.472 4.513 30 10 CJEE C=CCC[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)(C)C 228822800 USGCVKFMZKAYFQ-CJNGLKHVSA-N 263.400 4.857 30 10 CJEE CC(C)c1cccc(NCCCCC(C)(C)C#N)c1 232750087 IORFNTIBKDVSFE-UHFFFAOYSA-N 258.409 4.942 30 10 CJEE CCCCCCCCOCCCCC(C)(C)C(=O)O 232958265 SXPBXSWRHPSNQW-UHFFFAOYSA-N 272.429 4.645 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(F)c2ccccc12 233165456 GEAZUUVKLSNWBV-QGZVFWFLSA-N 257.352 4.596 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NC[C@H]1C(C)C 250799750 CFUKXRJBKYUYBZ-RBUKOAKNSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1CCC[C@H]([C@H](C)CC(=O)O)C1 250829087 PMPICPIDRGPYPY-SJORKVTESA-N 297.483 4.560 30 10 CJEE N#Cc1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1Cl 252423941 CUYYOHHXVRLOCX-VNHYZAJKSA-N 288.822 4.982 30 10 CJEE CC(C)(C#N)Cc1csc2cc(Br)ccc12 260471523 UROTZYXGOVJPRN-UHFFFAOYSA-N 294.217 4.756 30 10 CJEE CSc1ccc([C@H](C)Nc2ccc(C#N)c(F)c2)cc1 307963368 YZMGFQFMZWUXMR-NSHDSACASA-N 286.375 4.592 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(C)cc1Cl 311454544 BSMAUZYUEACFNK-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE CCCCCCCCCOc1cc(Cl)cc(C(=N)N)c1 312460524 AGVAMJNCMIFXHA-UHFFFAOYSA-N 296.842 4.753 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2ccnc3cc(Cl)ccc23)C1 312464264 QFOSSHFMBUGEAS-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE C[C@H](C[C@]1(C#N)CCCC(C)(C)C1=O)C1CCCCC1 313546578 OGCQSGUJHNRNIH-KDOFPFPSSA-N 275.436 4.882 30 10 CJEE Cc1cc(Cl)c(NCC#CC(C)(C)C)cc1Cl 383131153 UBFMISVIXJARNK-UHFFFAOYSA-N 270.203 4.763 30 10 CJEE C=CC(C)(C)CNCC1CCC(C(C)(C)C)CC1 385139513 IDAYRNUTEKADFS-UHFFFAOYSA-N 251.458 4.641 30 10 CJEE CC[C@@H]1CCCC[C@@H]1/N=C1/N[C@@H](C2CCCCC2)CS1 386099494 HRWGIZFYLIAVES-VNQPRFMTSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)CC1CCC(C)CC1 387111987 DOSOQLONJDZXJS-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE CCC1CCC(C#N)([C@@H]2C[C@H]2c2ccccc2)CC1 388692223 UKVVHHWYYVIKHS-FFDQMNFHSA-N 253.389 4.900 30 10 CJEE CC1CCC(C#N)(C[C@@H]2CCCCC2(F)F)CC1 394332740 QNOJKQIXWLXJCL-MOKVOYLWSA-N 255.352 4.922 30 10 CJEE CCCCCCCCCCN1CC[C@@H](O)CC(C)(C)C1 395387900 VDMNTKNYTXGLNW-QGZVFWFLSA-N 283.500 4.610 30 10 CJEE CC[C@@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396634210 DWZAYVSGLDQDJD-MNWMYKRDSA-N 264.218 4.535 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cccc(F)c1C 398867697 TWGXALFSXCVRLA-QGZVFWFLSA-N 263.400 4.921 30 10 CJEE CCc1cc(OCc2ccc(CC#N)cc2)ccc1Cl 399002609 UNTFLXJXWGHBLC-UHFFFAOYSA-N 285.774 4.547 30 10 CJEE Cc1scc(C(=O)[C@H](C#N)c2cccc(Cl)c2)c1C 399761932 FLUJLVFOJBLFPS-CYBMUJFWSA-N 289.787 4.508 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)C[C@@H](C)CC 400811372 XOIFRZDUJUJNBR-JKSUJKDBSA-N 269.473 4.850 30 10 CJEE C=C(C)CCSCc1coc(-c2ccccc2)n1 507081973 ORPJTHHYZQKXPD-UHFFFAOYSA-N 259.374 4.541 30 10 CJEE C=CCCC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 537702135 RBQBJVHQNNJRAX-AWEZNQCLSA-N 297.373 4.636 30 10 CJEE C=CCCc1ccccc1NCc1cnc(C2CC2)s1 558600984 ASXRQQMANHTJTM-UHFFFAOYSA-N 284.428 4.751 30 10 CJEE C=CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 607150045 WYJPGZZWPJSFOS-UHFFFAOYSA-N 287.353 4.610 30 10 CJEE CCCCCCCCCC[C@]1(C=O)C[C@@H](C)O[C@@H]1C 686431628 WNDOKBAKOVLBTO-BRWVUGGUSA-N 268.441 4.900 30 10 CJEE CCCCCCCC(=O)c1cc(C)cc(OC)c1C 686626772 QKDFDUMGOPLCLF-UHFFFAOYSA-N 262.393 4.855 30 10 CJEE C#CCCCCC[C@@H](NCCC)C(CC)(CC)OCC 686699027 AAGUKMBVMFYDLE-QGZVFWFLSA-N 281.484 4.534 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCC(F)(F)F)C1 687963637 HNBYXFHGELBSED-UHFFFAOYSA-N 264.331 4.751 30 10 CJEE C=CCCCC1(C(=O)O)CC(C)(C)CC(C)(C)C1 688344378 CUKRJXWMEFBWOY-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE CCCCCCCCCC[C@@H](NN)C(C)(C)C(F)(F)F 690249576 CLVNOFHERKHAGR-CYBMUJFWSA-N 296.421 4.938 30 10 CJEE CCC1(CC)CCCN(c2ccc(C#N)cc2Cl)C1 690345524 CGHVQLAJBCJFER-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1C(F)(F)F 692235535 SIAIDGHPKXDHRL-QPSCCSFWSA-N 289.385 4.832 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1c(N)ccc(Cl)c1C 692237950 BEQMNLNHVJRFKM-WFASDCNBSA-N 278.827 4.777 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1sccc1C 692255063 QYVOJIAECRJFJS-KFWWJZLASA-N 263.450 4.842 30 10 CJEE Cc1ccc(N[C@@H]2CCCC(C)(C)CC2)c(C#N)c1 697604492 KRKOWGWZYCDAFT-OAHLLOKOSA-N 256.393 4.638 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1(NC)CCC1 702413357 KDDISGDLXSFJTO-KRWDZBQOSA-N 283.500 4.800 30 10 CJEE C=CCCC(C)(C)CNc1ccc(N)c(C(F)(F)F)c1 703988897 ICOCIRPPQFDTNS-UHFFFAOYSA-N 286.341 4.692 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(C)(C)C 705247808 UQYDEOGEDYYOGQ-HZMBPMFUSA-N 284.230 4.692 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCCC[C@@H]1C(C)C 709250934 CFKAXYLJZRAEEC-CVEARBPZSA-N 251.458 4.783 30 10 CJEE C=C(Cl)C[C@@H](CSc1ccccc1C)NCCC 710571894 HLYMADQIYDAYBZ-AWEZNQCLSA-N 283.868 4.598 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cccc2ccsc12 710696314 KQCGFFOQWGRWBA-CYBMUJFWSA-N 265.809 4.695 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1CCC(CC)CC1 715770368 PFMGVCONATVFCI-ZGRYLRDCSA-N 251.458 4.783 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(C(F)(F)F)s1 717945650 PSHQCQPNJKAFDD-VIFPVBQESA-N 277.355 4.630 30 10 CJEE C=C1CCC(CNCc2cc(Cl)sc2Cl)CC1 724570507 COOXIJLXFRGPJK-UHFFFAOYSA-N 290.259 4.891 30 10 CJEE C=C1CCC(C[C@@H](CC(C)(C)C2CC2)NCC)CC1 724614997 AVKCPPWHEMKVPF-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE CC1(C)OB(/C=C\CCC2CCCCC2)OC1(C)C 725379103 BEYPVRNVYZZKMA-LCYFTJDESA-N 264.218 4.535 30 10 CJEE C=CCCCCNC(=O)C(C)(C)CCCc1ccccc1 1128274068 GEKLDEWOUHRGNZ-UHFFFAOYSA-N 287.447 4.508 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@H]2CCCC[C@@H]2C)CCCC1(C)C 1128470596 XTTOROKRGOZLBP-BBWFWOEESA-N 291.479 4.796 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C 1129235258 DYYGXGYVBSWPLR-YZURYREVSA-N 291.479 4.724 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)/C=C\c1cc(C)c(C)cc1C 1134515901 XAMWEDHEJGZGMK-GDWUOILNSA-N 297.442 4.582 30 10 CJEE C=CCCCCNC(C)(C)c1ccc(OCCC)cc1 1193753192 CZBLYUBAXGDRDN-UHFFFAOYSA-N 275.436 4.656 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1ccccc1SC 1205980144 FAQGECAYWJFVEB-AWEZNQCLSA-N 277.477 4.531 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282.383 4.655 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H](c1ccccc1)C1CC1 41075472 PTQKDVBPJOFJTP-QGZVFWFLSA-N 282.774 4.775 30 10 CJEE N#Cc1ccc(-c2ccc(-c3ccccc3)cc2)nc1Cl 43401867 LQEQEZGRMAUODB-UHFFFAOYSA-N 290.753 4.941 30 10 CJEE Cc1ccc(-c2[nH]/c(=N/N=C3CCCCC3)sc2C)cc1 54362887 NTHUSPKUXGEXRC-UHFFFAOYSA-N 299.443 4.581 30 10 CJEE CC(C)(C)c1ccc(OCC2(C#N)CCCCC2)cc1 57566858 VCBYFLIZDAKMJM-UHFFFAOYSA-N 271.404 4.837 30 10 CJEE CC[C@H](C)c1nc(C#N)cc2ccc(C(C)(C)C)cc12 77259026 FEJIUAVOPNTCAD-LBPRGKRZSA-N 266.388 4.917 30 10 CJEE CCCCN(c1ccccc1)c1ccc(F)cc1C#N 81581577 JRDKCHVGHHJYMA-UHFFFAOYSA-N 268.335 4.636 30 10 CJEE CC(C)[C@@H](CS)COc1cccc(Cl)c1Cl 87080223 LCORKQATDIKTOI-SECBINFHSA-N 279.232 4.574 30 10 CJEE CC(C)N(Cc1cccs1)c1ccc(Cl)cc1C#N 104015118 QZRFGBYFZDTTJI-UHFFFAOYSA-N 290.819 4.688 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)c(C)cc1OCCC 107622444 RLWHHOJNPQUCPS-CYBMUJFWSA-N 264.796 4.954 30 10 CJEE C#CC[C@@H](CCC)c1ccc(OCCC)cc1CC 107661403 NGGPTMSCQIRICV-INIZCTEOSA-N 258.405 4.945 30 10 CJEE Cc1ccc(NC2(C#N)CCC(C(C)(C)C)CC2)cc1 110028535 ZDXLBWBEQJVJLP-UHFFFAOYSA-N 270.420 4.906 30 10 CJEE N#Cc1cc(Cl)ccc1NCCC1=CCCCC1 110254679 OBACCVOMQDGZIF-UHFFFAOYSA-N 260.768 4.514 30 10 CJEE C[C@@H]1CCC[C@H](c2nc(-c3cccc(C#N)c3)cs2)C1 110310532 HMGBKOJIAWZYTO-DOMZBBRYSA-N 282.412 4.975 30 10 CJEE Cc1ccc(Sc2ccc(Cl)cc2C#N)c(C)c1 110354067 BMQACFXFAQEDRE-UHFFFAOYSA-N 273.788 4.980 30 10 CJEE CC(C)CCC[C@@H](C)Nc1ccc(Cl)cc1C#N 110521460 YBFBZRLVTVTYBW-GFCCVEGCSA-N 264.800 4.838 30 10 CJEE CCCCCCCCCn1nc(CNC)c2ccccc21 112932036 DSOBQGKJZMOJNI-UHFFFAOYSA-N 287.451 4.506 30 10 CJEE CCCCCCCCCc1noc(N)c1CC(C)C 115063823 JBTGWPAQTQOLKT-UHFFFAOYSA-N 266.429 4.748 30 10 CJEE CCCCCCCCCn1cccc1[C@@H](C)NCC 118238284 PVOFGOIDZNQXSD-MRXNPFEDSA-N 264.457 4.909 30 10 CJEE CCCCCCCCCCCCC(=O)C(C)(C)CN 123206012 QKFXWHBEKDZBHK-UHFFFAOYSA-N 269.473 4.851 30 10 CJEE CCCCCCC[C@H](O)c1cccc2ncccc12 123233901 VTEDZBZNXQQXCL-KRWDZBQOSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCCCCN[C@H](C)CCCO 126893584 PEANHQRBLPXVCK-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE CC(C)c1ccc(COc2cccc(Cl)c2C#N)cc1 128956903 BGQJWAZKUCDDKP-UHFFFAOYSA-N 285.774 4.914 30 10 CJEE CC(C)c1cc(Br)ccc1OCCCCC#N 136457304 MYHCTWQQEMQXCQ-UHFFFAOYSA-N 296.208 4.645 30 10 CJEE CSc1cccc(Nc2c(C)cc(C)cc2C)c1C#N 136604712 DJXLWYYAQGZTBG-UHFFFAOYSA-N 282.412 4.949 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1c(C)nn(C)c1C 139401107 HMNZHGLBZCYYKK-QGZVFWFLSA-N 293.499 4.828 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC(C)(C)C[C@@H]2C)cc1 156056171 ZISZSKWLHSAWND-WMLDXEAASA-N 256.393 4.516 30 10 CJEE CCCCCCCCOC[C@@H](NC)C1CCCCC1 157569048 MJUXIWUBLGWCII-QGZVFWFLSA-N 269.473 4.532 30 10 CJEE C[C@H]1CC[C@@](C#N)(Nc2ccc(F)cc2)c2ccccc21 163861864 ZATHVKOKTOSTGA-UGSOOPFHSA-N 280.346 4.554 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C)c(Br)c1 167811591 NPOCNJWJHFROSU-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C=CCC[C@H](NCCC)c1cc(F)c(Cl)cc1F 167820473 FVIUSUBYZBSWHV-AWEZNQCLSA-N 273.754 4.625 30 10 CJEE N#C[C@@H](Sc1ccc(Cl)cc1)C1CCCC1 167878968 ZVCPSMSVVVDQGS-CYBMUJFWSA-N 251.782 4.514 30 10 CJEE CCCCCC/C=C/c1ccc2cccnc2c1O 196482996 QAKAQLXJQXWCOQ-VQHVLOKHSA-N 255.361 4.924 30 10 CJEE CCCCCCCCC[C@@H](N)c1nc(C)c(C)s1 232923720 IJSGLAOLQMRMAA-CQSZACIVSA-N 268.470 4.900 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1scc(C)c1Cl 235796374 VEMAVVBTXUOWPV-LBPRGKRZSA-N 289.787 4.508 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O 253096026 PUTQIUFANNCRSG-IPMKNSEASA-N 295.511 4.753 30 10 CJEE CCCC[C@@H](C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 302426813 RQONRVSXWAGMRV-GHMZBOCLSA-N 298.213 4.996 30 10 CJEE CCCCCCC[C@H](O)Cc1sccc1Cl 304476029 BELABWSWPYPZIV-NSHDSACASA-N 260.830 4.665 30 10 CJEE C=C(C)CC[C@H](O)c1ccccc1OCc1ccccc1 310031588 XYRDUXLBYZRREH-SFHVURJKSA-N 282.383 4.655 30 10 CJEE C=C([C@H](CCCCCCC)NCCC)C(F)(F)F 310959274 BLLHBRPMUZGIPD-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE CCCCCCCCCC(=O)c1c(F)ccc(N)c1F 312314714 FOYOUCRINRKJAN-UHFFFAOYSA-N 283.362 4.870 30 10 CJEE C=CCCCCCCNC1CC(c2ccc(F)cc2)C1 312434581 MFXDUMZCULQMBT-UHFFFAOYSA-N 275.411 4.798 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1cn[nH]c1 312912486 KYPUJKKPCMADBF-QGZVFWFLSA-N 279.472 4.981 30 10 CJEE C=CCCCN(C)c1cccc(Cl)c1[C@H](C)NCCC 313561798 UGNAUMDFDCQOED-AWEZNQCLSA-N 294.870 4.803 30 10 CJEE CO[C@H]1CCCC[C@@H]1C1(C=O)CCC(C(C)(C)C)CC1 317430981 HSAZPLAEUCKDGW-LPMVOBIJSA-N 280.452 4.613 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@]1(C#N)CCC[C@@H](C)C1 380565451 GZOXGVVDYLNQPY-MEBBXXQBSA-N 292.766 4.528 30 10 CJEE C=CCCCN[C@@H](C)c1sc2ccccc2c1C 381108397 SVWGGVSZGAFXFX-ZDUSSCGKSA-N 259.418 4.827 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)C[C@H]1CSc2ccccc21 384910331 YJHOBHDOVCAMEL-JKIFEVAISA-N 271.429 4.986 30 10 CJEE C=CCCCCN[C@@H]1c2ccccc2CCC1(C)C 388975768 XAVRPRYXBKFACH-QGZVFWFLSA-N 257.421 4.646 30 10 CJEE CCC(CC)(CC)[C@@H](C#N)Nc1cccc(Cl)c1 395119884 JQZMPIITAIKJQM-CQSZACIVSA-N 264.800 4.860 30 10 CJEE CCCC[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 395310844 AXEDWKXUJRPCTL-ARWYELJZSA-N 265.441 4.674 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(Cl)sc1Cl 398173651 MCTNJXJDOWRALD-SECBINFHSA-N 278.248 4.889 30 10 CJEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 398207230 YQRZZJJHRHSZFO-VXGBXAGGSA-N 269.791 4.875 30 10 CJEE C=CCCC[C@@H](C)n1c(=S)[nH]c2cc(C)c(OC)cc21 398292700 ZYSHYMGUUNRAGL-GFCCVEGCSA-N 290.432 4.933 30 10 CJEE CC(C)[C@H](C)CN(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 399682421 YCSTYNDYZYWEOD-LTIDMASMSA-N 278.484 4.565 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc2ccccc2o1 410353264 MISVIORSWUJSEI-UHFFFAOYSA-N 291.350 4.804 30 10 CJEE N#Cc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 514260242 RYKVGBPFBMLTOU-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE CCCCCCC[C@]1(CNC(C)(C)C)C[C@H](C)O[C@H]1C 686462220 WIQBGAOROOAFDQ-XYJFISCASA-N 283.500 4.919 30 10 CJEE Cc1c(Cl)cc(Nc2ccc(C#N)cc2)cc1Cl 690248456 WNDWUPYMRWONOP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](N2CCCC(CC)(CC)C2)C1 690554624 YTYONAMZDCQGQP-ZACQAIPSSA-N 276.468 4.607 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1c(C)cccc1C 692273663 WHWUPYFABGIOQW-FUHWJXTLSA-N 257.421 4.528 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)CC(C)(C)CC(F)(F)F 694009874 XIDBTRLSMVYPNM-AWEZNQCLSA-N 279.390 4.936 30 10 CJEE C=CC[C@@H](CNCC(C)C)CC(C)(C)CC(F)(F)F 694043481 DIEWROKCAKXYNZ-CYBMUJFWSA-N 279.390 4.793 30 10 CJEE CCCCCCCCC[C@H](O)C[C@@H](N)CC(C)(C)C 696905704 IJBOMVOQVKKCFJ-CVEARBPZSA-N 271.489 4.642 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@H]1CCCC[C@H]1N 696986766 QZYTVTRWELDGCD-FGTMMUONSA-N 283.500 4.786 30 10 CJEE CCCCCCCCCC[C@H](NN)C1CC(C)(C)C1 701488868 KWMZCOKUKOZHAM-INIZCTEOSA-N 268.489 4.785 30 10 CJEE C#C[C@H](N[C@H](C)c1cccc(Cl)c1Cl)C(C)(C)C 702268368 UWWBQUQTNBAHII-MFKMUULPSA-N 284.230 4.692 30 10 CJEE CCCCCCCn1c(N)nc2cc(C(F)F)ccc21 703725843 BYAWTNOHHDWILZ-UHFFFAOYSA-N 281.350 4.527 30 10 CJEE CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CCCC(C)(C)C1 709238364 ORUYMLAKZIBWNG-CQSZACIVSA-N 276.811 4.617 30 10 CJEE C[C@H]1CCC(C)(C)C[C@]1(C#N)Nc1cccc(Cl)c1 713083109 PEYCAXHBFLTSEG-BLLLJJGKSA-N 276.811 4.860 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(Cl)c1 715010682 POCBPIOKHFLRBN-SWLSCSKDSA-N 251.801 4.593 30 10 CJEE CCCCCCCCNCC1CCC(SC)CC1 720596815 UVQAYYCAQLZXDT-UHFFFAOYSA-N 271.514 4.858 30 10 CJEE C=C[C@@H](C)n1ccc2cc(OCc3ccccc3)ccc21 720904268 FCGFYCKNZHWMAY-OAHLLOKOSA-N 277.367 4.967 30 10 CJEE N#Cc1ccc(OC2CCCCCCC2)cc1Cl 721052742 FXFJPQZBCKBGHI-UHFFFAOYSA-N 263.768 4.703 30 10 CJEE C[C@H]1CC[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722135404 FMDQCNJAPNJTAJ-NHYWBVRUSA-N 285.214 4.931 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)c(F)c2)CC1 724596722 PQZGLDXYZGMEMB-MRXNPFEDSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@@H](NCCC)C(C)(C)C(F)F)CC1 724608189 ULXQFKZLNZSUGF-CQSZACIVSA-N 273.411 4.782 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cncc(Cl)c2)CC1 724619732 WOJSGGJMMCEIJR-INIZCTEOSA-N 278.827 4.522 30 10 CJEE CCCCCC1=C(C)CCC1=NNc1ccc(F)cn1 731318024 FXLSDNJGTPGJFS-UHFFFAOYSA-N 275.371 4.679 30 10 CJEE C=CCC1(C(=O)OCc2c(F)cccc2CC)CCCC1 1129576138 WUMGAXJQINYBKR-UHFFFAOYSA-N 290.378 4.568 30 10 CJEE C=CCCCCN1CCC[C@H]1[C@@H](C)c1ccccc1 1176365769 UWWMTEZUTINLFR-WMZOPIPTSA-N 257.421 4.611 30 10 CJEE C#CCC1(NCc2cc(C(C)C)ccc2OC)CCCCC1 1176431633 HNYNZJUYEKMREF-UHFFFAOYSA-N 299.458 4.634 30 10 CJEE C=CCCC1(CNCc2ccc3c(c2)C[C@@H](C)O3)CCCC1 1179142420 HXLGXNWXGKWXPS-MRXNPFEDSA-N 299.458 4.626 30 10 CJEE C=CCCCCCCCNc1ccc(Cl)c(C#N)n1 1186633170 PDQKXAMRQLVFDN-UHFFFAOYSA-N 277.799 4.545 30 10 CJEE CCCCCCCCN(C)C(=S)Nc1ccccc1 1200835332 OLLDJFSQAOTXJN-UHFFFAOYSA-N 278.465 4.676 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC 1204045256 OHRRSMPKVPCKEP-GDBMZVCRSA-N 286.419 4.505 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc(Cl)c1O 1207763688 SGOYHJMLZGKKMT-ZDUSSCGKSA-N 281.827 4.660 30 10 CJEE C#CCCCCCCN[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1308716045 JYVGZBXSKWPAAK-SAABIXHNSA-N 289.850 4.759 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc2[nH]ccc12 1308912334 AZWSVXMGHUPMAD-HNNXBMFYSA-N 270.420 4.783 30 10 CJEE C=CCCCC(=O)N(C)c1ccccc1Oc1ccccc1 1351761399 WSDTYIOOZBEVBJ-UHFFFAOYSA-N 295.382 4.798 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1ccc2c(ccn2CCC)c1 1351785738 UFHJUYWSDSKMBA-AWEZNQCLSA-N 284.403 4.592 30 10 CJEE C=C[C@H](CC)CC(=O)Oc1ccc(OCCCCC)cc1 1354720283 QHRREEGKFSLBDU-OAHLLOKOSA-N 290.403 4.763 30 10 CJEE C=CC[C@@H](CC)NC(=O)/C=C(\CC)c1cccc(Cl)c1 1459621770 YLUMBOCHUSQBBM-CJTWTEFWSA-N 291.822 4.604 30 10 CJEE C=C(CC)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 1459631084 FYYIWDPRPLXHST-KBPBESRZSA-N 265.828 4.730 30 10 CJEE C#CCCCCCCN[C@@H]1CCC[C@H]1Cc1ccccc1 1459958527 CILOZWOTCIUDCZ-VQTJNVASSA-N 283.459 4.571 30 10 CJEE C=CCCCCN[C@@H](C)c1cccc(OC(F)(F)F)c1 1460748862 ZQWZHKLWNXDGJL-LBPRGKRZSA-N 287.325 4.592 30 10 CJEE C=CC(C)(C)CCCNCc1ccc(C(F)(F)F)s1 1461733662 ORUVIXFHBOEDSD-UHFFFAOYSA-N 291.382 4.849 30 10 CJEE C=CCC[C@H](CCC)Nc1ccc(C)c(OCC)c1 1462236589 XXHKDXWPBJUJGO-HNNXBMFYSA-N 261.409 4.941 30 10 CJEE C#CCOc1ccc(CN[C@H](C)CCC2CCCCC2)cc1 1474001703 AKJVUAHGVQLIDV-QGZVFWFLSA-N 299.458 4.537 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC1CCCCCCC1 1474576469 NNSALRJHVYKLKM-LJQANCHMSA-N 271.448 4.876 30 10 CJEE C=CCC[C@H](NC(=O)c1cc(C)ccc1F)c1ccccc1 1520010507 BWOLUFQOOHVWDA-SFHVURJKSA-N 297.373 4.571 30 10 CJEE C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 1525031006 RULDNVISQRERTL-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=CCC(CC=C)C(=O)N[C@@H](CCC(C)C)C(C)(C)C 1531493337 WCXOJRGHAYSWRW-INIZCTEOSA-N 279.468 4.722 30 10 CJEE C=C[C@H](OC(=O)c1ccc2sccc2c1)c1ccccc1 1532001880 NRRDIVKOCQBLGR-INIZCTEOSA-N 294.375 4.985 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CCCCC1 1546120546 QWKLATBQCNKLLK-ULQDDVLXSA-N 289.463 4.550 30 10 CJEE C=CCN(CCC(C)(C)CC)Cc1ccccc1F 1559495561 KAEKNZDYMVQYID-UHFFFAOYSA-N 263.400 4.640 30 10 CJEE C=CCN(Cc1ccccc1F)Cc1c(C)cc(C)cc1C 1559495922 XSOWGZGETXBBCK-UHFFFAOYSA-N 297.417 4.939 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](c1ccccn1)C1CC1 1561018403 XCZYVQDFFMRAAT-YJBOKZPZSA-N 272.436 4.647 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 1584085829 HKDKRYRBFVTMLA-MXSMSXNCSA-N 286.415 4.714 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(C(C)C)c(Cl)c2)cc1 1586090071 MFCDRWDDKXJBNN-UHFFFAOYSA-N 297.785 4.697 30 10 CJEE C[C@H](Sc1nc(Cl)c(C#N)s1)c1ccccc1F 1611886223 CHSARWLCHZFSCL-ZETCQYMHSA-N 298.795 4.661 30 10 CJEE C=CCC(C)(C)C(=O)Nc1nc2c(s1)CCC[C@H]2CC 1616526377 VDADEEYLOFAZOX-LLVKDONJSA-N 292.448 4.514 30 10 CJEE C=CCCC(C)(C)NC(=O)/C(C)=C\c1ccc(Cl)cc1 1618637477 DDGPWVVCDBDVFQ-SEYXRHQNSA-N 291.822 4.604 30 10 CJEE C=CC[C@H]1CCCN(Cc2csc(CCC(C)C)n2)C1 1620214035 FBODPFIBCZGXDZ-HNNXBMFYSA-N 292.492 4.520 30 10 CJEE CCCCCCCCCCN[C@@H]1CCOC12CCCC2 1620650840 MIHFAJDBLSAYSR-QGZVFWFLSA-N 281.484 4.818 30 10 CJEE C=C(C)[C@H](NC/C=C\c1ccccc1)c1ccc(F)c(F)c1 1620907531 RWNFLLQPJDVVIZ-QBUQCISBSA-N 299.364 4.885 30 10 CJEE C#Cc1cccc(CN[C@@H](CCC)CCc2ccccc2)c1 1621392231 QUHVSGCLKAVUQS-NRFANRHFSA-N 291.438 4.559 30 10 CJEE C#CCCCCCCSc1nc2cc(F)c(F)cc2[nH]1 1643630451 PQBGZGMBVOVBPB-UHFFFAOYSA-N 294.370 4.517 30 10 CJEE CC(C)N(Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 1644864265 GFUWYAXWPQKUDT-UHFFFAOYSA-N 298.817 4.821 30 10 CJEE C=C(C)CN(Cc1ccco1)c1ccc(Cl)cc1 1652792395 WOUVYDOSIHSDSK-UHFFFAOYSA-N 261.752 4.516 30 10 CJEE C#C[C@H](NC[C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1F 1659187556 LIUALFQLEBGLNQ-XNJGSVPQSA-N 293.813 4.569 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1F 1665524789 QRBLVYCDLLCMTM-WBAXXEDZSA-N 275.411 4.737 30 10 CJEE C=CCCc1ccccc1NC(=O)N(C)CCC(C)(C)C 1671187063 LDTKPQCBGJSBIZ-UHFFFAOYSA-N 288.435 4.705 30 10 CJEE C=CCCCCCN(C)C(=O)NC[C@@H]1CCCC[C@@H]1CC 1673196153 HJGJVIBNTMAVMQ-IRXDYDNUSA-N 294.483 4.591 30 10 CJEE C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 1679434744 OAYOVCUBIMQVOO-GVDBMIGSSA-N 294.483 4.635 30 10 CJEE C=CCC1(NC(=O)NCCCC(C)(C)C=C)CCCCC1 1687503290 QFZMCHBNRWTVNJ-UHFFFAOYSA-N 292.467 4.557 30 10 CJEE N#Cc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 1848376550 JZAKFNPWHTWXSY-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE C=CC1(C[C@@H](NCC)C2(C(C)(C)C)CCC2)CCC1 1876769186 ADTFAFPKXDTQEN-OAHLLOKOSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H]1CCCCN(Cc2ccc(Cl)c(F)c2)C1 1883478834 PGYNAEVUAXIMIL-CYBMUJFWSA-N 281.802 4.657 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(Cl)c(C)c1 1887475415 MYURAYJNRGQTNN-SUMWQHHRSA-N 277.839 4.739 30 10 CJEE 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CCCCCCCC[C@@H]1OCCC[C@H]1CNCCC 2142469394 JWPPBLVCHUGOLU-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCCCCCCCN(C)CCCCCCCCO 2143274793 KZUGLEVQDHFXMU-UHFFFAOYSA-N 271.489 4.612 30 10 CJEE CCCCCCCCO[C@@](CC)(C(=O)O)[C@@H]1CC1(C)C 2146713357 ZEFAHIMHCIXRDD-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE CCCCCCCCCCC(=O)[C@H](O)c1ncc(C)s1 2147188068 XHGYNOJKPAGBDN-HNNXBMFYSA-N 297.464 4.585 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)c1c(C)csc1C 2147854151 MCEVMPSGYBTQKF-WBVHZDCISA-N 297.508 4.866 30 10 CJEE CCCCCCCC[C@H](N)[C@@]1(O)CCCCCC1(C)C 2148579252 PZXPVAFVYXISTD-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE CCCCCCC[C@H](NCC)[C@H](O)C(CC)(CC)CC 2148580847 AUFVDVBCNFYCNH-IRXDYDNUSA-N 285.516 4.902 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H](O)C(C)(C)CC 2148618865 MFCXFSFCNBCQRG-IRXDYDNUSA-N 285.516 4.902 30 10 CJEE CCSc1ccc([C@H](N)CC#CC2CCCCC2)cc1 2149850691 PHEOEPHQELWIDQ-GOSISDBHSA-N 287.472 4.772 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)c1ccccc1 2149871288 RLGOTVZFVANIET-LJQANCHMSA-N 269.432 4.701 30 10 CJEE 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CJEE C=CCCCCCCCN(C)[C@H](C)CCSC 2214622295 NFYZMAOWXUCPEE-OAHLLOKOSA-N 257.487 4.586 30 10 CJEE C=CCCCCCCCCC[C@@H](O)P(C)(C)=O 2215716884 MJMXGIHEFJPOFF-AWEZNQCLSA-N 260.358 4.624 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(Cl)s1 2217127228 WISNKOPQXOBSSW-NWDGAFQWSA-N 271.857 4.524 30 10 CJEE C=CCCCCCCC[C@@H](O)C1(C(F)(F)F)CC1 2220087618 VTEPPFGHXZAYCB-GFCCVEGCSA-N 264.331 4.607 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1C[C@H]2CC[C@H]1C2 2220090004 AQLZXPIVVQPDPD-MWDXBVQZSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCC[C@@H](N)C1(C)CC(F)(F)C1 2220091462 GXUPLMGHTGMBBM-CYBMUJFWSA-N 259.384 4.666 30 10 CJEE C=CCCCCCCC[C@@H]1CCC[C@@H]1CNCC 2220092195 KQYDDLNQJNZSFX-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCCCCCCCCCOc1sccc1CO 2223215831 OVFSORFSOHCRBS-UHFFFAOYSA-N 270.438 4.760 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H](SC)C1CC1 2223867451 GTMRHMAZQJDSNT-GOEBONIOSA-N 271.514 4.857 30 10 CJEE C[C@@H]1C[C@@H]1CCC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2225691829 RFYMRESZIOPTOS-NRUUGDAUSA-N 296.197 4.606 30 10 CJEE 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CCC(=O)C=Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 2296515202 HOGYHNGMKVPAEM-UHFFFAOYSA-N 290.746 4.601 30 10 CJEE C=CC[C@H](C)Sc1cc(C(F)(F)F)cc(Cl)n1 2298887443 AMFJBSWXQKUZJU-ZETCQYMHSA-N 281.730 4.811 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cscc1CC 2304024297 JTOUWNBKUPYJHG-GJZGRUSLSA-N 251.439 4.563 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(Cl)c1Cl 2304040496 GTFGVTYZCKLQTG-UONOGXRCSA-N 272.219 4.986 30 10 CJEE C=C(C)CC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2307674590 PVGRBYGFNUOMJP-CQSZACIVSA-N 273.203 4.866 30 10 CJEE CCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@H]1C2 2312920261 IPNFCIGOORLAEL-IKGGRYGDSA-N 251.458 4.715 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C)cc1CNCCC 2313695027 JTPPJTNAGDXFQT-CQSZACIVSA-N 263.450 4.551 30 10 CJEE C=CC1CC(N(C)Cc2ccc(Cl)c(Cl)c2C)C1 2316695574 ZIIRWMBFTJIZRQ-UHFFFAOYSA-N 284.230 4.698 30 10 CJEE Cc1c([C@@H]2CCC[C@@H](CC#N)O2)ccc(Cl)c1Cl 2318099466 PFNMFXJOYHHCPC-GWCFXTLKSA-N 284.186 4.826 30 10 CJEE C#CCC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2318361169 VCBLSLIQSHXVFM-ZDUSSCGKSA-N 288.193 4.587 30 10 CJEE C=CC[C@@](C)(CC)C(=O)Cc1cc(Cl)ccc1F 2321176970 JUDGPHJBVRCVPH-OAHLLOKOSA-N 268.759 4.583 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)c(C)c1F 2321228133 KPRVLARSXYXPLZ-HUUCEWRRSA-N 270.775 4.813 30 10 CJEE C=CCC(CC=C)SC[C@H](NC)c1cccc(C)c1 2335101817 ZCVXXSBPTOGLQD-KRWDZBQOSA-N 275.461 4.510 30 10 CJEE C=CC[C@H](C)S[C@H]1[C@H]2CCCC[C@@H]2C[C@H]1NCCC 2335195587 YCYADQBNOXUIJJ-NNXHMXCWSA-N 281.509 4.631 30 10 CJEE CCCCCC[C@H](C#CC1(SC)CCC1)NCCC 2336214710 KXNIBRYMTFXWTI-MRXNPFEDSA-N 281.509 4.614 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc(F)c(C)c1Cl 2338553408 CEFLBOKFRPXPPY-OAHLLOKOSA-N 281.802 4.632 30 10 CJEE C=CCCCCCC[C@H](N)c1ccncc1C(C)C 2338605881 AODPWEVSLPNCHU-KRWDZBQOSA-N 260.425 4.731 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1CCCCC1(F)F 2338741668 PEEBKWCIEPXREQ-CABCVRRESA-N 271.395 4.558 30 10 CJEE O=C(Cc1ccccc1C1CC1)C1=CCCCCC1 2341754369 SKQDUAAZMDPXQK-UHFFFAOYSA-N 254.373 4.566 30 10 CJEE C=C[C@H](C)C[C@H](CC[C@H]1CC[C@@H]1C1CC1)NCCC 2342550583 ICMHDPBVJBNBTH-LEUOFYLZSA-N 263.469 4.783 30 10 CJEE CCC(C)(C)N(CCC#N)C[C@@H]1CCC(C)=C(C)C1 2343448738 XFVLFQJOJWIINN-MRXNPFEDSA-N 262.441 4.527 30 10 CJEE CC(C)c1cccc(C[C@@]2(C=O)CCC23CCC3)c1 2343759868 UZZLPWQMRRPJAP-GOSISDBHSA-N 256.389 4.502 30 10 CJEE C#Cc1c(F)cc(N[C@@H](C)c2csc(Cl)c2)cc1F 2344194808 AZAHGILZEBIPIQ-QMMMGPOBSA-N 297.757 4.834 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(F)ccc1C 2344343571 OXFIYDQUKABNCI-IAGOWNOFSA-N 263.400 4.777 30 10 CJEE C=CC[C@@H](C)[C@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2344371659 LXIAABDDEOUMJQ-UBDQQSCGSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(C2(C)CC2)cc1 2344385326 OSFXHIZLTYAJKU-YOEHRIQHSA-N 257.421 4.601 30 10 CJEE CC(C)O[C@@H]1CCC[C@H]1[C@]1(C#N)CCCC(C)(C)C1 2344875810 ZFIOVUFMOVNHCY-BFYDXBDKSA-N 263.425 4.690 30 10 CJEE C=CCC(CC=C)S[C@]1(C(=O)O)CCC[C@H](C)[C@@H]1C 2352215676 WAUJCDCEJQBLSQ-HEHGZKQESA-N 282.449 4.520 30 10 CJEE C=CCC(CC=C)OCCC(CC)(CC)CNC(C)C 2360215260 SNXOBMPYXBVSLT-UHFFFAOYSA-N 281.484 4.718 30 10 CJEE CCCN[C@@](C)(C#N)CCCSCC1CCC(C)CC1 2360508999 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4.602 30 10 CJEE CCCCCCCCC[C@@]1(CN)CCOc2ccccc21 115840100 CNANBSHNAGZSHS-IBGZPJMESA-N 289.463 4.806 30 10 CJEE CCCCCCCCCn1cccc1CNCCC 117581604 VOJPBUZZKIDDSA-UHFFFAOYSA-N 264.457 4.738 30 10 CJEE CCCCCCCC[C@H](NC)[C@@]1(N(C)C)CCC[C@H](C)C1 118185322 KVGYZMAXYYXRIW-GBESFXJTSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccsc1)NN 123177751 XQEPIGIZPLZXNZ-INIZCTEOSA-N 282.497 4.653 30 10 CJEE CCCCc1ccc(Oc2ccccc2C#N)cc1 130263362 WTROXONTXTWPMT-UHFFFAOYSA-N 251.329 4.693 30 10 CJEE CCCCCCCCn1ccc(C(=O)C(F)(F)F)c1 135275848 ILUMDOFLUXRBGY-UHFFFAOYSA-N 275.314 4.594 30 10 CJEE CSc1cccc(Nc2cccc3cnccc23)c1C#N 136629489 RFXTXZKOTIQXKF-UHFFFAOYSA-N 291.379 4.572 30 10 CJEE CCCCCCCC[C@H](N)c1cc(C)ccc1F 158945859 KOPNEUGNVDVNCM-INIZCTEOSA-N 251.389 4.885 30 10 CJEE CCCc1ccc(OCc2ccc(C#N)cc2Cl)cc1 162988802 FCKPZMZXKKGAEE-UHFFFAOYSA-N 285.774 4.743 30 10 CJEE CCCCCCCC(=O)[C@@H]1C[C@@H](C)c2ccccc2C1=O 164058312 URZVTJIGBDVSHF-PBHICJAKSA-N 286.415 4.922 30 10 CJEE C=C(C)CC[C@H](Cc1cc(C)cc(C)c1)NCCC 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380479700 UDSNYODCDDJLQO-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](S[C@](C)(CC)CO)C1 380514322 ALHQDLPATAMPLI-JYYAWHABSA-N 297.508 4.625 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H]2CC(C)(C)OC2(C)C)C1 381713547 GPNBBDUUBMZFIC-JKIFEVAISA-N 263.425 4.690 30 10 CJEE C=C(CC)C[C@H](NC)c1cccc(OCc2ccccc2)c1 381808193 XZUUNLVQPZQIDC-FQEVSTJZSA-N 295.426 4.882 30 10 CJEE CC1(C)CCC([C@H](C#N)Nc2ccccc2Cl)CC1 382506123 MVAHLJCRMHDJQJ-HNNXBMFYSA-N 276.811 4.860 30 10 CJEE C#Cc1cccc(NCc2ccc(-c3ccccc3)cc2)c1 386189827 HZOQEDJVTBTKGJ-UHFFFAOYSA-N 283.374 4.947 30 10 CJEE FC(F)c1cccc(N=C2N[C@H](C3CCCC3)CS2)c1 386205917 GEJNBPKPJSNUGV-ZDUSSCGKSA-N 296.386 4.507 30 10 CJEE CCCCCCCC[C@H](N)c1ccncc1Br 395838011 CIRIJTHHBJSKOZ-AWEZNQCLSA-N 299.256 4.595 30 10 CJEE CCCCCCC[C@H](NC)[C@@H](CC)CC(F)(F)F 402760547 YHXFRKSLKAASDZ-STQMWFEESA-N 267.379 4.914 30 10 CJEE C[C@H](NCC1CCC(C#N)CC1)c1ccc2c(c1)CCCC2 442863769 AMGOHEXKQQEOOG-GTPINHCMSA-N 296.458 4.546 30 10 CJEE 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CC(C)(C)[C@H]1C[C@@H]1COCC1(CS)CCCCCC1 703621341 AAKVVLXSOXEDHA-CABCVRRESA-N 284.509 4.956 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)CCc1ccccc1 703955610 VIWNUUROWKEXQU-MRXNPFEDSA-N 259.437 4.590 30 10 CJEE C=CCCC(C)(C)CNCc1cccc(OC(C)C)c1 703996229 QUJLTHUVWQGAQY-UHFFFAOYSA-N 275.436 4.556 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccccc1Cl 709108514 LZEATFGLYFZEFJ-AAEUAGOBSA-N 277.795 4.589 30 10 CJEE CCc1ccc(Nc2ccc(F)cc2C#N)cc1Cl 709151133 NIZGZZVBXFGRSQ-UHFFFAOYSA-N 274.726 4.657 30 10 CJEE CC(C)C[C@@H]1C[C@@H]1/N=C1/NC2(CCCCCCC2)CS1 713275340 OZTYIKRGIAIFPB-CABCVRRESA-N 294.508 4.597 30 10 CJEE C=CC[C@H](C)[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 715705179 MCSIWIWYXOFDMD-DIYAKSSWSA-N 261.453 4.523 30 10 CJEE C=CC[C@H](C)[C@@H]1CCCCC[C@H]1CNC(C)(C)C 715785910 GISVGVLNFWZYHP-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H]2CC[C@H](CC)CC2)CC1 724547587 QKOJTYXCKWFAKQ-DJIMGWMZSA-N 250.426 4.700 30 10 CJEE C=C1CCC(CC2(C(=O)O)CCCCCCC2)CC1 724588260 ICYLRDPRNANRCD-UHFFFAOYSA-N 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295.810 4.559 30 10 CJEE C=CCCCCN(Cc1cccc(Cl)c1)C(C)C 1473109887 ZCQRAVUJOWLBTD-UHFFFAOYSA-N 265.828 4.907 30 10 CJEE C=CCCCCCN[C@H](C)c1ccccc1SC 1473417837 RAYBXRRWTHENPE-CQSZACIVSA-N 263.450 4.806 30 10 CJEE C=C(C)CCN1CCCSc2cc(Cl)ccc21 1473719297 GFHYXDHNZUSVLK-UHFFFAOYSA-N 267.825 4.608 30 10 CJEE C=CCC1(NC(=O)C[C@@H](CC)c2ccccc2)CCCCC1 1521567472 QVFXPQFVIVUAOT-QGZVFWFLSA-N 299.458 4.966 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 1534845789 WGTBBASUHFQNBW-MRXNPFEDSA-N 293.410 4.828 30 10 CJEE C=CCN(C(=O)c1ccc(-c2ccccc2)s1)C(C)(C)C 1539411340 GZRPEKZRVQWWIJ-UHFFFAOYSA-N 299.439 4.842 30 10 CJEE C=CCCCCCCCCNc1cc(C)c(C#N)cn1 1559203684 AAGSLBMJNYRDFQ-UHFFFAOYSA-N 271.408 4.590 30 10 CJEE C=CCn1c(SCCC(F)=C(F)F)nc2ccccc21 1559316438 JCMQANGZZLAVPA-UHFFFAOYSA-N 298.333 4.782 30 10 CJEE C=CC[C@@H]1CCN1[C@H](C)c1ccc(Cl)c(Cl)c1 1560206276 UNVLPTBXDYVQDU-ZYHUDNBSSA-N 270.203 4.705 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 1560556592 FTFJWKFEEFGVPE-YLQAJVPDSA-N 275.823 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C[C@H]1CCC[C@@]1(C=O)CC1(C)CC2(CC(F)(F)C2)C1 2230585319 BZBCBWSNVOLFMB-WFASDCNBSA-N 270.363 4.597 30 10 CJEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(C)cc1Cl 2231516317 ZRVYBNHFEUMQDE-RHSMWYFYSA-N 279.855 4.771 30 10 CJEE C=CCCCCc1ccc2c(c1)CC[C@@H]2NCCC 2231738409 MFNPMWWGTRYSDH-SFHVURJKSA-N 257.421 4.572 30 10 CJEE CCCCCCCC[C@H](C)NC[C@](C)(O)CC(C)C 2231926989 BASRBHKEOGNVMP-DLBZAZTESA-N 271.489 4.512 30 10 CJEE C[C@H]1CC=C(C(=O)[C@H]2C[C@@H]3CCC[C@H](C2)C3(F)F)CC1 2233609482 HBVHFTNBTJTJAQ-CYUUQNCZSA-N 282.374 4.764 30 10 CJEE C#CC[C@H](CSc1nc(-c2ccccc2)cs1)C1CC1 2234271031 JJBOMWZVSVOCGN-OAHLLOKOSA-N 299.464 4.952 30 10 CJEE C=CCCCCCCCNC[C@H]1C(F)(F)C12CCCC2 2235524406 PQTHMNGMJVQBIO-OAHLLOKOSA-N 285.422 4.928 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 2235788202 ZEBGBAHTTRRRMQ-NTZUZEMLSA-N 275.480 4.879 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2236707870 WZJBNEXNCDBXIR-XMTFNYHQSA-N 295.536 4.880 30 10 CJEE CCCCCCCCCCCCN1CC[C@H]2C[C@H]2C1=O 2237181855 MICXESLRFWGASB-DLBZAZTESA-N 279.468 4.776 30 10 CJEE C#CC[C@H](C[C@H](NCC)[C@]1(C)CC=C(C)CC1)C1CC1 2237330384 LBQZXOGZSNJKPY-CEXWTWQISA-N 273.464 4.541 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](C)C(=O)c1ccc(F)cc1 2239499903 MSFHOSQNRBVFBQ-XJKSGUPXSA-N 278.367 4.548 30 10 CJEE CCCCCCCC[C@@](C)(N)CCCOCC(F)(F)F 2240629720 WYQUWENZQYIZJF-CQSZACIVSA-N 297.405 4.814 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](N)CC1(CCC)CC1 2240644837 NNYPECQKASWRLK-DLBZAZTESA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)CCCC1CCC1 2240653009 BEHVXVSJVZACKT-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCC[C@H](O)c1nccc2sccc12 2256803903 LYCSLNZLBZULPF-ZDUSSCGKSA-N 263.406 4.690 30 10 CJEE C=CCCCCCCCSC[C@H](O)c1ccco1 2259003341 QNYXQEULQLNHQC-AWEZNQCLSA-N 268.422 4.573 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@](C)(F)C1 2259198020 FSSPSHGFYLCENR-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE N#CC1(C[C@@]23CCC[C@@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2260649058 VDJMXAFDJRZCFI-JDOFQRQTSA-N 261.434 4.525 30 10 CJEE Cc1cc(NCc2ccsc2C#N)c(C)cc1Cl 2263185974 SZLVIBCUYHWUOX-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE CCN(CCCCCCCS)c1cccc(F)c1 2263206148 OMMUFMWWVDABGT-UHFFFAOYSA-N 269.429 4.532 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2263310162 LHWPYUYUIKDPMZ-SECBINFHSA-N 297.773 4.950 30 10 CJEE CCCCCCCCC[C@](C)(N)C1=CCCCO1 2263667165 VIIPIVFXWIYAQM-INIZCTEOSA-N 253.430 4.539 30 10 CJEE CC1(C(=O)C2=CCCCCCC2)CC(C(F)(F)F)C1 2264634440 REGUCGYNEOSTFY-UHFFFAOYSA-N 274.326 4.815 30 10 CJEE C=CC[C@@H]1CCCCN(CC2CC3(CCCC3)C2)C1 2265271839 ZBRJHBQHYQAEOO-MRXNPFEDSA-N 261.453 4.635 30 10 CJEE CC[C@@H](C)c1ccccc1OCC1(CS)CC(F)C1 2265642869 ITWQKIWAABVCNN-VEAWUBTESA-N 282.424 4.627 30 10 CJEE CCCCCCC[C@@H](O)c1ccnc(C(F)F)c1C 2267912250 CZSPFRGNBJYZSV-CYBMUJFWSA-N 271.351 4.722 30 10 CJEE CCN[C@H](CCC=CC#CC(C)(C)C)C1CCCC1 2268769908 RLZUFQHODDDWEJ-QGZVFWFLSA-N 261.453 4.541 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H]1C[C@@H]1C1CCCC1 2271832970 JQTLYKNLGNBRRW-SQNIBIBYSA-N 263.469 4.927 30 10 CJEE COCCCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2271892794 WQMURQPSXYYBSB-SOUVJXGZSA-N 283.481 4.501 30 10 CJEE C#CC[C@@H]1CCCCN1CC[C@H](C)CCCC(C)C 2272304054 UWUYQGIFNXMLSB-QZTJIDSGSA-N 263.469 4.717 30 10 CJEE N#CC1(C[C@]23CCCC[C@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2273403946 FRYSRDAFKFQLGP-PQAIKRCPSA-N 275.461 4.915 30 10 CJEE CCCCCCC[C@H](C[C@@]12CCCC[C@H]1CC2)NN 2273411488 AMXPVKIGGSRUGX-BBWFWOEESA-N 266.473 4.539 30 10 CJEE CC1(C)CCC[C@](C#N)(CCc2ccc(F)cc2)C1 2277495017 HHFPEWNKNOLYHI-KRWDZBQOSA-N 259.368 4.868 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC[C@H]1CCOC1 2278169937 WEPFWJOJJLBLJL-DLBZAZTESA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](C[C@H]1CCC1(C)C)NC 2280963688 MZKSHQIAGJUDLO-ZACQAIPSSA-N 283.500 4.512 30 10 CJEE C[C@](C#N)(C[C@H]1CC(F)(F)C12CCC2)c1ccccc1 2280995721 MXQRZGSLKJCLCI-LSDHHAIUSA-N 275.342 4.683 30 10 CJEE CC(C)(C)C#CC=CC[C@@]1(O)CCC[C@H](C(C)(C)C)C1 2284076679 PEFQWLQPFQQCHZ-QFBILLFUSA-N 276.464 4.950 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccccc1OC(C)C 2287385460 XYCDHWIDKZPUAN-QGZVFWFLSA-N 275.436 4.871 30 10 CJEE CCCCCCCCCCn1cc(C(=O)C(C)C)cn1 2288006077 OPYDSIDQTZPJAM-UHFFFAOYSA-N 278.440 4.863 30 10 CJEE CCCCCCCC[C@](C)(CN)N(C)[C@@]1(C)CC1(C)C 2288626607 PKANRHKYTSOAJP-MSOLQXFVSA-N 282.516 4.575 30 10 CJEE CN[C@H](CC#CC1CCCC1)C[C@@H]1CCCCC12CC2 2289873430 DBKMKMDQEYIURO-ZWKOTPCHSA-N 273.464 4.519 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@]2(O)CC(C)(C)CCC2(C)C)C1 2290265403 HGAIHRHQUPDITF-JLSDUUJJSA-N 277.452 4.674 30 10 CJEE C=C(C)CCCC[C@@H](N)Cc1cccc(C(C)(C)C)c1 2290282627 HSNQQXYPNPRWJM-GOSISDBHSA-N 273.464 4.990 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)[C@H](C)CCC(C)C 2291052396 STOUTCWSGIDEPE-HZPDHXFCSA-N 286.456 4.889 30 10 CJEE C=CCCCCCCC[C@@H](CC1CCC1)OCCCN 2292648627 ZOLCJMTWUKBFQC-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@](C)(CC1CCCCC1)OCCN 2292786632 GNHQXEUZOLCIQP-GOSISDBHSA-N 281.484 4.827 30 10 CJEE CCCCCCCCC[C@](CC)(OCCN)[C@@H]1C[C@H]1C 2293498430 IFEHOGBNKQQXAB-KURKYZTESA-N 283.500 4.907 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)[C@]1(C)CC=CCC1 2293570684 WOWBBBXCWZBQOY-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@H](OCCN)[C@@H]1C[C@@H]1C1CCCC1 2293673436 PYKPVATWCRBRIL-KURKYZTESA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@@](CCC)(OCCCN)C(F)(F)F 2293677728 CNLPIGXJNCVLRD-CQSZACIVSA-N 297.405 4.814 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC2(CCCC2)C1 2293898611 MPHJTEHHQWYZOQ-SFHVURJKSA-N 279.468 4.581 30 10 CJEE Cc1ccc(C(=O)C=Cc2ccc(O)c(Cl)c2)cc1C 2293941246 UTSWILNHFMTBCY-UHFFFAOYSA-N 286.758 4.559 30 10 CJEE C#Cc1ccc2c(ccn2[C@H]2CCC3(CCCC3)C2)c1 2295165840 DECXHNACHRVISC-KRWDZBQOSA-N 263.384 4.908 30 10 CJEE CCCCCCCCC[C@]1(C)NC[C@@H](C(F)(F)F)CO1 2295535644 FMRPWSXGZIKLDD-ZIAGYGMSSA-N 295.389 4.642 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1C[C@H]2CC[C@H]1O2 2295582888 IXGQTGMWXYTPTP-MLHJIOFPSA-N 282.468 4.836 30 10 CJEE C=C[C@@H](N[C@H](c1ccccc1)C1CCCC1)C1CCC1 2295715602 YALRJLJEVHDPNX-RTBURBONSA-N 269.432 4.862 30 10 CJEE CCCC[C@H](CC)CSCC1CCC(C#N)(NC)CC1 2295763811 MMROORCBWUYDEJ-GTPINHCMSA-N 296.524 4.608 30 10 CJEE C=C1CC([C@H](N)c2ccc3oc4ccccc4c3c2)C1 2295799756 PMKNWENGCHLIST-GOSISDBHSA-N 263.340 4.552 30 10 CJEE Cc1ncccc1C=CC(=O)c1cc2cc(Cl)ccc2o1 2297485048 KETAFYHLARZLNZ-UHFFFAOYSA-N 297.741 4.686 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cc(Cl)c(Cl)s1 2300160713 BDSDVIBDEBFUAB-JOYOIKCWSA-N 290.259 4.889 30 10 CJEE C=C(Cl)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2302363293 KGFXZLVDKJOKPK-CYBMUJFWSA-N 292.637 4.657 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)sc1C 2304023385 AUSHEEDSLIKSHY-ZIAGYGMSSA-N 271.857 4.963 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Br)cc1C 2304121888 GLRLGZSLUYLEOL-CABCVRRESA-N 297.236 4.783 30 10 CJEE CC1(C)CC[C@@H](CC[C@]2(C#N)CCCSC2)C1 2304428380 MPDJFCISBVVYPJ-ZFWWWQNUSA-N 251.439 4.630 30 10 CJEE C=C[C@H](C)C[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2304580087 FRRNHFJADUWGAE-IONNQARKSA-N 279.783 4.812 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@H](NCCC)CC(C)(C)C1 2313644588 JIBKGTJTEDTYHP-SOUVJXGZSA-N 269.498 4.631 30 10 CJEE C=CCC(CC=C)SCCNC1CCCCCC1 2313692326 NBARZIMOWOFAEV-UHFFFAOYSA-N 267.482 4.553 30 10 CJEE C[Si](C)(C)C#CCNc1cc(C2CC2)ccc1Cl 2316252045 QGBXQYNTFWRHPB-UHFFFAOYSA-N 277.871 4.510 30 10 CJEE C=CCCCCCCCCN[C@H]1CC(C)(C)[C@H]1C 2318198453 UVONFLUMSSRPGG-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE C=CCC[C@@H](C)Nc1cc(Cl)nc2ccccc12 2321110928 OUUYCABPRZVJOL-LLVKDONJSA-N 260.768 4.655 30 10 CJEE C=CCC(C)(C)[C@H](CCC(C(C)C)C(C)C)NC 2321144409 HXOMLLIXEAMEEG-INIZCTEOSA-N 253.474 4.885 30 10 CJEE CCCC[C@@](C#N)(CC)C[C@@H]1OC[C@@H]2CCCC[C@H]12 2333564557 IYFTXLLRFCESKO-QAETUUGQSA-N 263.425 4.692 30 10 CJEE C=CC[C@H](C)S[C@@H]1CCCC2(CCCCC2)[C@H]1NC 2335195057 UMFFFUDOBWRKOJ-XHSDSOJGSA-N 281.509 4.775 30 10 CJEE CC(=CC[C@]1(C=O)CCO[C@@H](C)C1)CCCC(C)C 2338451522 CVOHESLCSBSLCF-IRXDYDNUSA-N 266.425 4.533 30 10 CJEE CC=CC[C@@H](CCCCCCCCC)OCC(=O)O 2338454811 XNFAHQGFYYDROQ-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE C#CCN(CC=C(C)CCCC(C)C)C1CCCC1 2338462555 QNXCCRZIKKJQMV-UHFFFAOYSA-N 261.453 4.637 30 10 CJEE C=CCC(CC=C)[C@@H](O)C1CC(C)(C)CC(C)(C)C1 2338731823 DHNRJACKJKCOSS-MRXNPFEDSA-N 264.453 4.968 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)[C@@H]1CCCC1(F)F 2338743557 GORFFUGDQYOAIM-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@]1(C)CC=CCO1 2339748991 QTRQSNCWDSLQIA-IAGOWNOFSA-N 267.457 4.580 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)CCC1=CCCCC1 2340306901 OINWQBSCVKZQAZ-QGZVFWFLSA-N 260.421 4.624 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc2cccc(C)c2o1 2341925873 FZHGMBDRNAWXSS-OAHLLOKOSA-N 257.377 4.748 30 10 CJEE CC1(C)CC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2342351262 NVESPBGGUAOGQE-LLVKDONJSA-N 286.284 4.750 30 10 CJEE SCC1(COCC[C@@H]2CC[C@@H]2C2CC2)CCCCC1 2342407235 XLFLDSMJWDWQPG-JKSUJKDBSA-N 282.493 4.710 30 10 CJEE C=CCC(C)(C)[C@H](CC1C[C@H]2CCC[C@@H]2C1)NCC 2344342166 HTJYIZKJCDXQBV-ZACQAIPSSA-N 263.469 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1[C@H]2CCCCC[C@H]21 2344346251 QTVSMXIRJUPHTQ-YYIAUSFCSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(F)cc(C)cc1F 2344349719 VRQILZGYKSWZLX-HZPDHXFCSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2344379390 XOKJFOGTMQXMCN-GFCCVEGCSA-N 291.744 4.961 30 10 CJEE CCC1CCC(C#N)([C@@H]2CCC[C@H]2OC(C)C)CC1 2344804042 UDQAFHLBUGTDFR-JCCCHCCOSA-N 263.425 4.690 30 10 CJEE FC(F)(F)CC1CCC(CC[C@@H]2CC[C@@H]3O[C@@H]32)CC1 2353167205 MVXHHVNDXSQQFA-MYXTYHMWSA-N 276.342 4.703 30 10 CJEE C=C([C@H](O)C1CCC(CC(F)(F)F)CC1)C(C)(C)C 2353640898 OFIBKENONXBACT-BPCQOVAHSA-N 278.358 4.708 30 10 CJEE CSc1cc(NC2CC[Si](C)(C)CC2)ccc1C#N 2353825604 RRYMBPCDGHDHQU-UHFFFAOYSA-N 290.508 4.563 30 10 CJEE C=CCC(CC=C)OC(=O)c1ccc2ccccc2c1 2360210701 WLVKNMGSULNBIS-UHFFFAOYSA-N 266.340 4.517 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cc(F)ccc1F 2360323137 HCZSQBNXTSFCND-MLGOLLRUSA-N 299.430 4.703 30 10 CJEE CCCCCCCCNC(=O)c1cccc2ccccc12 3013805 BFHCUULPNLBMDX-UHFFFAOYSA-N 283.415 4.930 30 10 CJEE C#Cc1cccc(NCc2ccc(C(C)(C)C)cc2)c1 20017363 BJVSVOXFXGHWEK-UHFFFAOYSA-N 263.384 4.578 30 10 CJEE CC(C)(C)C(=O)/C=C\c1ccc(Cl)cc1Cl 33748101 PYXLGFRIFJEGRL-ALCCZGGFSA-N 257.160 4.622 30 10 CJEE N#Cc1cccc(NC2CC(c3ccccc3Cl)C2)c1 36842290 QHWRVIDLYANIHW-UHFFFAOYSA-N 282.774 4.570 30 10 CJEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 37393287 RCDOFELNESWRKQ-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE Cc1ccc(C)c(OCCC[C@@H](C#N)c2ccc(F)cc2)c1 57685602 WAOGBBWJZJOWIU-KRWDZBQOSA-N 297.373 4.909 30 10 CJEE Cc1ccccc1[C@H](C#N)CCOc1c(C)ccc(C)c1C 57687012 MKFYFEPTHDPCMV-SFHVURJKSA-N 293.410 4.997 30 10 CJEE N#C[C@H](Cc1cccc(F)c1)c1cccc2ccccc12 57750172 FUAWWUCIKCZTTL-INIZCTEOSA-N 275.326 4.829 30 10 CJEE CC(C)(C)c1cc(CC#N)c2ccc(Cl)c(Cl)c2n1 82467815 XLUWPEJCVVKDOJ-UHFFFAOYSA-N 293.197 4.905 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](C#N)(NCc2ccccc2)CC1 86959705 GGTZZLVEYKIBMB-MJGOQNOKSA-N 284.447 4.665 30 10 CJEE CCCC[C@H](CC)C[C@]1(C#N)COc2ccccc2C1 87997495 MDMNRVGLMCHWIL-YJBOKZPZSA-N 271.404 4.738 30 10 CJEE CCC(C)(C)C1CCC(NCc2cc(C#N)cs2)CC1 93685740 UWHCIVLVTVUKQR-UHFFFAOYSA-N 290.476 4.704 30 10 CJEE CC(C)c1cccc(C(C)C)c1OCCCS 94585524 LHFRQAJXKNITJQ-UHFFFAOYSA-N 252.423 4.632 30 10 CJEE C=C(CC)C[C@@H](NCC)C1(c2ccccc2)CCCC1 97208719 IMAWBQMCTQGCLZ-GOSISDBHSA-N 271.448 4.833 30 10 CJEE Cc1ccc(Nc2cc(Cl)ccc2C#N)cc1Cl 104002850 UQAPTHMOLRFPSQ-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE C=CCSc1nnc(NCCCCCCCC)s1 106351690 KLIVAENTZTTZMP-UHFFFAOYSA-N 285.482 4.589 30 10 CJEE CCCCCCCC[C@H](Cc1nc(C)cs1)NCC 108171501 IQKXGJWVKUFPQI-OAHLLOKOSA-N 282.497 4.723 30 10 CJEE Cc1cc(C)c([C@@H](C)Nc2ccc(F)c(C#N)c2)cc1C 109947615 TXZWIOKJNULXNM-CQSZACIVSA-N 282.362 4.796 30 10 CJEE CCCCCCCCCCCCN[C@H](C)COC 110154572 TWCMPMMODTWZLE-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCN(c1ccc(C#N)c(Cl)c1)c1ccccc1C 110252532 BHDOJSYVFRJNJL-UHFFFAOYSA-N 270.763 4.678 30 10 CJEE CCCCCCC[C@](C)(NC1CCCCC1)C(=O)OCC 110321223 YDSNMNIHVGHQER-SFHVURJKSA-N 297.483 4.591 30 10 CJEE N#Cc1cccc(N[C@H]2CCCc3sc(Cl)cc32)c1 127282298 AQLDKVJLHVHZDG-ZDUSSCGKSA-N 288.803 4.763 30 10 CJEE C=CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 133346314 QQQSGHZUJLCTRW-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCSc1cccc(OCC2CCCCC2)c1C#N 136716941 YBJAIKLJUGCPJP-UHFFFAOYSA-N 275.417 4.629 30 10 CJEE CCCCCCCCn1c(C)cc2c1CCC[C@@H]2O 147326401 DUISDNWGOWBLLZ-KRWDZBQOSA-N 263.425 4.527 30 10 CJEE CC(C)CCCCNc1ccc(C(F)(F)F)c(C#N)c1 147514085 RUAUOWZTEXHSDC-UHFFFAOYSA-N 284.325 4.815 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(Cl)nc1 149466476 SEIQSSQAGCKLHV-GFCCVEGCSA-N 254.805 4.896 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(F)c(F)c2)C1 149825874 WUCVYEKXRCTIRW-LRDDRELGSA-N 263.331 4.617 30 10 CJEE CCCCCCCCCC(=O)[C@@]1(C)CCCS1 164753612 ZCLXCHRMHUKXFP-OAHLLOKOSA-N 256.455 4.982 30 10 CJEE CSc1cccc(N[C@@H](C)c2ccc(F)cc2)c1C#N 167580998 GZQCJSXSOXJQLY-NSHDSACASA-N 286.375 4.592 30 10 CJEE CCCCCCC[C@H](Cc1ccn([C@H](C)CC)n1)NCC 168504201 LGUAPUYJCQUAIV-IAGOWNOFSA-N 293.499 4.735 30 10 CJEE Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2ncccc2c1 183314861 ATALBRLYCRJPBQ-CQSZACIVSA-N 287.366 4.588 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)c1coc(C)c1 189896933 YOOKJYPXFGHCPL-UHFFFAOYSA-N 283.371 4.692 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)c(OC)c(C)c1 213585656 RBWPNRWAKKHQEJ-INIZCTEOSA-N 263.425 4.672 30 10 CJEE N#C[C@H](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 216538265 LMLVQFLYLZPBMI-RDVIWEACSA-N 271.429 4.647 30 10 CJEE CC(C)c1ccc2[nH]c3c(c2c1)[C@@H](CC#N)CCC3 222559452 YUOCHPTZAOWOFB-GFCCVEGCSA-N 252.361 4.625 30 10 CJEE C=CCCC[C@@H](NCCC)[C@H]1CCCCC1(C)C 226842519 JMGCKCIEMNBVMJ-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)cc1 227611440 PJJMFDVNXCNSOT-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 229546628 SQTAOJZUEBFFKT-GFCCVEGCSA-N 282.359 4.895 30 10 CJEE C=CCCCCCNc1cccc(Br)c1C 232240202 RQCRWZZJFZEOFI-UHFFFAOYSA-N 282.225 4.916 30 10 CJEE CCCCCCCCCC(=O)[C@H](O)C1CCCCC1 232938931 OVEKEDMSYBVDCX-QGZVFWFLSA-N 268.441 4.637 30 10 CJEE C=CC[C@H](C)N[C@H](C)c1cccc(Cl)c1Cl 235075747 PBDMIRDDGJJCFA-VHSXEESVSA-N 258.192 4.609 30 10 CJEE CCCCCCCCC[C@@]1(CO)C[C@H]2CC[C@H]1C2 250794109 AADLGOGYWRIXFD-ULQDDVLXSA-N 252.442 4.926 30 10 CJEE N#CC1(CC(F)(F)C(F)F)CCCCCCC1 306098660 OQTKDUITPHSCAH-UHFFFAOYSA-N 251.267 4.531 30 10 CJEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(C)sc2C)c1 308105050 LLIHSVGJSBHYNO-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE O=C(C[C@@H]1CCCC(F)(F)C1)C1=CCCCCC1 310409912 FSBFRHYTSJQYOG-LBPRGKRZSA-N 256.336 4.662 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)cc2F)cc1Cl 310696969 BHPCIWMNPULGKT-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C[C@@H]1CCC[C@@H]([C@@]2(C#N)CCc3ccccc3C2)C1 311555966 LZCNOHFZIKLKFA-OLMNPRSZSA-N 253.389 4.512 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1C[C@@H](C)N 312291777 QCTOPWRTWPRYRW-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE Cc1cc(CC2(C=O)CCC(C(C)C)CC2)cc(Cl)n1 321039606 VYZSOXYXBZAJMR-UHFFFAOYSA-N 293.838 4.617 30 10 CJEE CCC[C@](O)([C@@H]1CC1(C)C)C1(C#N)CCC(C)(C)CC1 397589982 BOHHEJMIINPNOE-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCc1c(F)cccc1F 402877227 CRKIWKQGSYIJEZ-LRDDRELGSA-N 263.331 4.617 30 10 CJEE CC[C@H](OC[C@@H](CS)C(C)(C)C)c1ccccc1 403311670 XPWWWWPWVUKFRS-GJZGRUSLSA-N 266.450 4.746 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C=C\C 492051438 WNUGLAGTAXFKTA-IPYMFYIGSA-N 269.388 4.609 30 10 CJEE C=CCN(C(=O)CCCc1ccc(C)cc1)c1ccccc1 514570672 GHPRBJOVRHBUFU-UHFFFAOYSA-N 293.410 4.537 30 10 CJEE CC[C@@H]1CCCCC/C1=C\B1OC(C)(C)C(C)(C)O1 575598221 XQASTRYJUKDLMP-MNWMYKRDSA-N 264.218 4.535 30 10 CJEE C=CCCc1ccccc1NC(=O)CCc1ccccc1F 669675665 PNUCFSXVIVLTFT-UHFFFAOYSA-N 297.373 4.516 30 10 CJEE C#CCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1F 686693549 DJELWLVVWHVJNX-INIZCTEOSA-N 299.792 4.853 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(C2CC2)cc1 690134126 FYCLPLBKNPEDRJ-UHFFFAOYSA-N 256.393 4.696 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCCCC[C@H]1C(C)C 691134385 GTYOZAFVXUKVST-ULQDDVLXSA-N 251.458 4.926 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692226987 MTLCEJHVGNIHTF-ZQOJQMTGSA-N 275.480 4.926 30 10 CJEE CCCCCCC[C@H](NCC)c1cccc(COC)c1 693432885 FWDWOLYEUVVMSU-SFHVURJKSA-N 277.452 4.844 30 10 CJEE C=CCC1(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 700639483 HIXLDHNNDDPMRI-UHFFFAOYSA-N 298.745 4.688 30 10 CJEE CC1(C)CC(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 701486815 WNHHQZQLTFPSSN-NSHDSACASA-N 296.197 4.606 30 10 CJEE CN(CC1(CS)CCCCCC1)[C@@H]1CC[C@@H]2CCC[C@@H]21 708043917 YJKQBTWLZOGYGH-YESZJQIVSA-N 295.536 4.767 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(C)c(Cl)c1 709350720 HEHSMGKAKFOIRN-DOTOQJQBSA-N 277.839 4.873 30 10 CJEE C=C(Cl)C[C@H](Cc1ccc2ccccc2c1)NCCC 710638632 OHHYGZQSNHBBSE-GOSISDBHSA-N 287.834 4.893 30 10 CJEE CCCc1c([C@]2(C)CC[C@@H](C)C2(C)C)sc(C#N)c1N 710755696 ZAWNWCPYRBWWNU-DIFFPNOSSA-N 290.476 4.868 30 10 CJEE C=CC[C@@H](C)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 715058324 OKHWLNMQEBFFEF-YGRLFVJLSA-N 273.203 4.803 30 10 CJEE C=CC[C@H](C)C(=O)c1c(Cl)cccc1C(F)(F)F 715715982 UCHYXMWKYFPVHC-QMMMGPOBSA-N 276.685 4.754 30 10 CJEE CCCCCCCCCC[C@H](COC1CC1)NCC 716901620 XQDXRMBSJMFBRR-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2sc(C)cc2C)C1 719473247 OKMMNAPNMNQXFL-VNQPRFMTSA-N 277.433 4.509 30 10 CJEE C[C@H](OCCCCC(C)(C)C#N)C1CCCCC1 719665283 WPWRLCZURISFSB-AWEZNQCLSA-N 251.414 4.692 30 10 CJEE Cc1cc(Oc2cc(C)c(Cl)c(C)c2)c(C#N)cc1N 721062874 JDZWTSAXPCNCFD-UHFFFAOYSA-N 286.762 4.511 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCCC2(CC)CC)C1 721241572 WWLWPVWZFOAWDH-BRWVUGGUSA-N 276.468 4.750 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 723667383 FLLRHWRQZFYOIH-GVDBMIGSSA-N 276.468 4.655 30 10 CJEE C=C1CCC(C[C@H](O)c2cc3ccccc3o2)CC1 724547611 QVWXMMYYGFJQKX-HNNXBMFYSA-N 256.345 4.603 30 10 CJEE CCC[C@H](/N=C1/N[C@H](C2CCCC2)CCS1)C1CCC1 725114758 LLPVYVTXVJGNGD-HOTGVXAUSA-N 294.508 4.597 30 10 CJEE N#Cc1cc(CC2CCCCC2)ccc1CC1CC1 725406360 WYXQTJCFTKKZIO-UHFFFAOYSA-N 253.389 4.634 30 10 CJEE C(=NNc1ccccc1)C1=CC=C(c2ccccc2)SC1 1088736991 QFXMCZCCCISIBA-UHFFFAOYSA-N 292.407 4.799 30 10 CJEE C=CC[C@@H](C(=O)O[C@@H]1CCCC(C)(C)C1)c1ccccc1 1129519492 JJQUAQLFSPNZGD-IAGOWNOFSA-N 286.415 4.858 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(C)c(C)c2)CCCC1 1131111490 MSJITQHEEVOCAF-UHFFFAOYSA-N 285.431 4.560 30 10 CJEE C=CCCCC[C@@H](C)N[C@H](C)c1cc(C)ccc1OC 1182237534 DJZDJZJZNFWOHW-HZPDHXFCSA-N 275.436 4.789 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCCCCC1(C#N)CCC1 1196058007 VAUUWJRYKXNEDF-IRXDYDNUSA-N 274.452 4.575 30 10 CJEE C#Cc1ccc(NCc2ccc(SC)s2)c(Cl)c1 1203889985 POOXGEXTYXEXST-UHFFFAOYSA-N 293.844 4.717 30 10 CJEE C#Cc1ccc(NCc2ccc(C)cc2Cl)c(Cl)c1 1203890025 PSYWGUMEIORHML-UHFFFAOYSA-N 290.193 4.895 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1 1307914271 FNWQABFMUUVLBD-IRXDYDNUSA-N 289.488 4.845 30 10 CJEE C=C(C)CCN[C@@H](CC)Cc1ccc(Cl)cc1Cl 1308773868 LKYNTVZXBNBFQC-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE C=CCC[C@@H](CC)NCc1csc(C(F)(F)F)c1 1308889292 NMWSMXDSEDBOCE-LLVKDONJSA-N 277.355 4.601 30 10 CJEE C=CCCC[C@@H](C(=O)N(CCC)CCC)c1ccccc1 1354948834 ZXAGIOSECWCOTO-GOSISDBHSA-N 287.447 4.775 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C1(C)C(C)(C)C1(C)C 1456307019 NBBYMJMVJYBMQG-UHFFFAOYSA-N 291.479 4.654 30 10 CJEE C#CCCCCCC(=O)O[C@@H](C)c1oc2ccccc2c1C 1458960923 RWRJEUYWZTUDHA-HNNXBMFYSA-N 298.382 4.929 30 10 CJEE C=CCCN(C)[C@H](C)c1ccc(-c2ccccc2)cc1 1459556030 NKDJNKRLFPTQKX-MRXNPFEDSA-N 265.400 4.923 30 10 CJEE CCCCCCCCCCN1CCO[C@](C)(C2CC2)C1 1460411492 QZCSKJQXXHYMTP-SFHVURJKSA-N 281.484 4.628 30 10 CJEE C=C(C)CNCc1ccc(-c2cc(C)cc(C)c2)cc1 1461497958 IQTBLWQVTMGEMQ-UHFFFAOYSA-N 265.400 4.636 30 10 CJEE Cc1cccc(C#N)c1SC[C@H]1CCCCC1(F)F 1473080421 SSROVPMOYHPEKS-CYBMUJFWSA-N 281.371 4.784 30 10 CJEE C#CCCCCCCNCc1ccc(C)c2ccccc12 1474581449 NMLVLAUCKMNLAE-UHFFFAOYSA-N 279.427 4.822 30 10 CJEE C=CCCC[C@@H](NC(=O)[C@@H](C)CCC)c1ccccc1 1533765891 FLIRCWQZNMWAAS-DOTOQJQBSA-N 273.420 4.636 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(OCCC)c(C(C)C)c1 1536598502 VHAHGKIFXGNNIE-UHFFFAOYSA-N 289.419 4.750 30 10 CJEE C=C[C@](C)(CC)C(=O)O[C@@H](C)c1oc2ccccc2c1C 1538521265 LYWBRKFJPAYIMU-SCLBCKFNSA-N 286.371 4.948 30 10 CJEE C=CCC1(NC(=O)/C(F)=C/C2CCCCC2)CCCCC1 1556622381 VFNPBGXOHOWTSM-PEZBUJJGSA-N 293.426 4.815 30 10 CJEE C=CCC1(NCc2ncc(-c3ccccc3)s2)CCCC1 1560533079 GELKLKFTXYKQLG-UHFFFAOYSA-N 298.455 4.789 30 10 CJEE C#CC[C@@H](Nc1nc2cccc(F)c2s1)c1ccccc1 1612154752 CBPCQKTWMBGPBY-CQSZACIVSA-N 296.370 4.612 30 10 CJEE C=CCCCCN1C[C@@H](C)C[C@H]1c1ccccc1F 1615713640 MPPNHGANDUQEAS-YOEHRIQHSA-N 261.384 4.565 30 10 CJEE C=CC1(CC(=O)N2CC[C@@H](C)C3(CCC3)C2)CCCCC1 1624011094 UNFNVSLQIOYCTM-MRXNPFEDSA-N 289.463 4.552 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)C1(Cc2ccccc2)CCCC1 1625548073 NICCQBCROUBAGC-KRWDZBQOSA-N 299.458 4.603 30 10 CJEE C=CCCCCCN(C)CC[C@H]1CCc2ccccc21 1652546754 NOABMSUSIKTKQB-GOSISDBHSA-N 271.448 4.785 30 10 CJEE COc1cccc([C@@H](C)S[C@@H](C#N)Cc2ccccc2)c1 1656368965 GHELIWNRNWOPEQ-RDTXWAMCSA-N 297.423 4.624 30 10 CJEE C=C(C)CN(CCc1ccc(C)c(C)c1)Cc1ccccc1 1659084852 GCWLOBRLNVPWCF-UHFFFAOYSA-N 293.454 4.924 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCc2cc(F)c(F)c(F)c21 1659227914 UUCAVCQACXSKGI-JSGCOSHPSA-N 297.364 4.816 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CC2CCC1CC2 1671187366 RHYDGSNNOVPREO-PVARCSIZSA-N 298.430 4.505 30 10 CJEE CC#CCCC[C@@H](NCCC)C1(C(C)(C)C)CCC1 1879647633 PCWJXDJNFAXCCK-MRXNPFEDSA-N 263.469 4.765 30 10 CJEE 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PVLVOUWZZRSKOU-ISVAXAHUSA-N 258.192 4.514 30 10 CJEE CCCCC[C@@H](CC)OCC1(CS)CC(C)C1 2246847296 MZDRBUDRLZRHTB-SHARSMKWSA-N 258.471 4.708 30 10 CJEE C=C(C)CCCC[C@@H](CSCCC)NCCC 2250157197 UREBSQIDJQCZBJ-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)CC1(C)CC(C(F)(F)F)C1 2253689247 SPUUVAMEHNETJP-XVSSEFHLSA-N 259.315 4.685 30 10 CJEE N#C[C@@H](CSC[C@@H]1CC12CCC2)C1CCCCC1 2254033690 JXOFOPIVJAVZQO-GJZGRUSLSA-N 263.450 4.630 30 10 CJEE C=CCCCCCC(=O)c1cccc(Cl)c1OC 2256135722 HZTPPFMZTQKXNT-UHFFFAOYSA-N 266.768 4.668 30 10 CJEE Cc1csc([C@H](O)CC=CC#CC(C)(C)C)c1Cl 2256732263 ZUOWWDGGDIYMNT-GFCCVEGCSA-N 282.836 4.739 30 10 CJEE C[C@@H]1C[C@H]1CCCCC[C@]1(C=O)CCC(F)(F)C1 2257292530 OLQHKEJJXGEPTK-MCIONIFRSA-N 258.352 4.597 30 10 CJEE C=C(C)CCCC[C@@H](O)[C@@H]1CCCc2sccc21 2259236380 BEOOBIAMRJIFHD-UKRRQHHQSA-N 264.434 4.665 30 10 CJEE CCCCCCCCCC1(F)CC([C@H]2CCNC2)C1 2265479691 GNRPTJJGCGVLOU-GTPINHCMSA-N 269.448 4.855 30 10 CJEE COC1(CS[C@@H]2CCCCC[C@@H]2C#N)CCCCC1 2265574116 HSSJOVCBWBRDNO-HUUCEWRRSA-N 281.465 4.541 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(OC)ccc1Cl 2268099835 PLFOISRNSBHGPB-WBMJQRKESA-N 281.827 4.602 30 10 CJEE C=CCCCS[C@H]1CCCCC(F)(F)[C@@H]1NCCC 2271485298 MILYMUIMGJLHNH-UONOGXRCSA-N 291.451 4.632 30 10 CJEE C=C(C)CCCC[C@@H](N)C1CC2(C1)CC1(CCC1)C2 2271835062 NQACTTJFSFBKBA-MRXNPFEDSA-N 261.453 4.811 30 10 CJEE CC1(C)CCC[C@@H](C(=O)C#CC2CCCCC2)CC1 2273904905 BORBMWJCOIRNAF-MRXNPFEDSA-N 260.421 4.746 30 10 CJEE CCN[C@H](C#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2274000769 RFQWOBOTVORQPU-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE CCN[C@H](CCC#CC1CCCC1)CC1CCCC1 2274127359 CBMCLHKJCLFMFQ-GOSISDBHSA-N 261.453 4.519 30 10 CJEE C=CC1(CN(C)[C@@H]2CC(C)(C)CCC2(C)C)CCC1 2274539556 CGBQOKKAJFTSKA-OAHLLOKOSA-N 263.469 4.879 30 10 CJEE C=CCCCCCCCC[C@H](OCCN)[C@@H](C)CC 2276147146 GDMZHPQGKKFHHV-IRXDYDNUSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)C1(C(C)C)CC1 2276770605 KEMCWMPHHHXDJO-INIZCTEOSA-N 269.473 4.517 30 10 CJEE CCCC[C@H](CC)CSCc1csc(C#CCO)c1 2278255816 PICCYABJSMPXPU-AWEZNQCLSA-N 296.501 4.542 30 10 CJEE CCCCCCC[C@H](O)[C@H](CCCC[C@H]1C[C@@H]1C)NC 2280505265 PIPZCYBWCFPEQV-XSLAGTTESA-N 283.500 4.512 30 10 CJEE C=CC1(CNC[C@H]2CC(F)(F)C23CCC3)CCCCC1 2280991061 WKIFLZDGVLSDMN-CQSZACIVSA-N 283.406 4.538 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ncc(F)cc1C 2281167333 ZHYAKRIUFXLBCM-MRXNPFEDSA-N 278.415 4.706 30 10 CJEE C=C1CCC(C[C@H](NC)c2cc(OC)ccc2Cl)CC1 2283353984 NIZYBPGFOAGTRU-KRWDZBQOSA-N 293.838 4.746 30 10 CJEE CC(C)(C)C#CC=CCc1ccc(C(F)(F)F)c(F)c1 2284098044 ZQXUXSHIXDRPJZ-UHFFFAOYSA-N 284.296 4.993 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H]1COC2(CCC2)C1 2284826209 LXVXCGJDIRQWSX-DLBZAZTESA-N 281.484 4.674 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H]2CCC[C@@H]2C(F)F)C1 2285586678 DWLHDJHMDBUFPL-GJZGRUSLSA-N 285.422 4.640 30 10 CJEE CC(C)CCC[C@H](C)CCN(C)[C@@H](CC#N)C(F)(F)F 2287967122 SCUJUBXAIJHGRC-KBPBESRZSA-N 292.389 4.615 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C1(CCC)CCC1 2289852431 PULWCAZZUYQYSV-GOSISDBHSA-N 275.480 4.909 30 10 CJEE C#CCCN(CC1CC(CC(C)(C)C)C1)C1CCCC1 2290059368 UEYLQQZMWJDMQP-UHFFFAOYSA-N 275.480 4.717 30 10 CJEE CCCCCCCC[C@H](OCCC(=O)O)C1CC(C)C1 2290639538 ZBPJESZHFPAJIL-GPANFISMSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@](CC)(OCCC(=O)O)C1CC1 2291631010 UETUBAHPWQGQJN-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](CCCC1CC1)OCCC(=O)O 2291770062 ANRUPMUNNVVPFG-INIZCTEOSA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@@H](CC[C@@H]1CC1(C)C)OCC(=O)O 2292232934 IENFZTFOGFPBBL-CABCVRRESA-N 284.440 4.643 30 10 CJEE C=CCCCCCCCCC1(OCCCN)CCCC1 2292793213 PTBZRQUTGZPQDO-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE C=CCCCCC[C@]1(OCCCN)C[C@H](C)CC[C@H]1C 2292891056 GCSTWXCVHVRKME-KURKYZTESA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](OCCN)(C1CCC1)C1CC1 2293409062 XHTNPRQSKCVELT-SFHVURJKSA-N 281.484 4.661 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1cccc(Cl)c1 2293574342 BWGKBKMPKNBMHQ-KRWDZBQOSA-N 295.854 4.883 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@H]2CC[C@H]1C2 2294462493 XVDMXVDBEINWRV-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE Cc1c(C)c(C)c(C[C@]2(C=O)CC=CCC2)c(C)c1C 2294720750 HIEYZCYOXNGRHX-IBGZPJMESA-N 270.416 4.697 30 10 CJEE CCCCCCCCC[C@](C)(N)c1nnc(CCC)s1 2295577880 BNVMRCGLKAPUGF-INIZCTEOSA-N 297.512 4.805 30 10 CJEE CCCCCCCCC[C@](C)(N)C[C@@H]1[C@@H]2CCOC[C@H]21 2295596308 JMRWNJRFRCSDBM-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE CCCC[C@H](CC)CS[C@H]1CCC(C)(C)[C@@](N)(C#N)C1 2295765053 ZGRIESXLGFVXEX-ZOBUZTSGSA-N 296.524 4.736 30 10 CJEE CCCCCCSC[C@](C#N)(NC(C)C)C1CCCC1 2295767011 SONICMLDLCPCMZ-KRWDZBQOSA-N 296.524 4.750 30 10 CJEE CCOc1ccc(C(=O)C=CNc2ccc(C)c(C)c2)cc1 2296875784 FRZMJJVURZYKKN-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CCOc1ccccc1NC=CC(=O)c1ccc(C)c(C)c1 2296876435 VGVCXWLXAFIIPU-UHFFFAOYSA-N 295.382 4.511 30 10 CJEE CCCCCCCC[C@]1(O)C[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 2311073490 ZNPIDOPPWHFKMM-QEOTZNIISA-N 250.426 4.534 30 10 CJEE C=C[C@](C)(CN[C@H](C)CC)CC1CCCCCC1 2316930008 VAYMDXOZQMYCAD-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H](CC)CC(F)(F)F)NCC 2321106833 AWAHQQAUGLBSNW-XQQFMLRXSA-N 265.363 4.545 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)ccc1F 2321146109 WCZRMHGEMNDROS-CABCVRRESA-N 269.791 4.732 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C(F)F)cc1 2321221590 BCPKYVRCUKKIHD-UKRRQHHQSA-N 254.320 4.650 30 10 CJEE C=CC[C@H](CC[C@H]1CCC(C)(C)C1)CNCCC 2321620141 SIAOLRKSHXTDPR-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE C=C1CC(C=O)([C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2327978737 PHBWTEBWRDBCRH-LLVKDONJSA-N 283.198 4.941 30 10 CJEE CC(CCc1ccccc1)=NOCc1cccc(Cl)c1 2329919200 YUGBGBYXMKOGGR-UHFFFAOYSA-N 287.790 4.865 30 10 CJEE C=CCCCC[C@@H](NC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2331086021 OYBCHHOSCQUBGR-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Oc1ccc([C@@H](C)NC)cc1Cl 2335109845 DUWJXRFFECHWBC-GFCCVEGCSA-N 279.811 4.520 30 10 CJEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccccc1C 2335208124 YMSMHEZFAJISBU-WBVHZDCISA-N 277.477 4.734 30 10 CJEE C=CC[C@@H](C)Sc1cc(F)cc(CNC2CCC2)c1 2335247586 GRKILYFQJFSFMC-GFCCVEGCSA-N 279.424 4.525 30 10 CJEE C=CCCCCCCCCNCC[C@@H]1CCC1(F)F 2335267004 AREUNEHKIUCAHK-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE CCCCCCCN[C@@H]1CCc2ccc(C)c(C)c21 2339623454 VKHPLGVIKYXCFG-QGZVFWFLSA-N 259.437 4.851 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CC[C@H]2CC[C@@H]2C2CC2)C1 2342382751 PVGATCWZGZMHML-DDBAPUKQSA-N 262.437 4.988 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]1C1CCCCC1)NC 2344346998 XVUIZZIHIHDBPP-ULQDDVLXSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1snc2ccccc12 2344358466 VHEQMPPBWWWNRR-HOTGVXAUSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1ccccc1C1(C)CC1 2344386742 YPOCLGJGNCDIQG-INIZCTEOSA-N 257.421 4.601 30 10 CJEE CC[C@H](C)c1ccc(OC[C@]2(CS)CC2(F)F)cc1 2351891567 VOCCDXSMYOCGEY-FZMZJTMJSA-N 286.387 4.534 30 10 CJEE C=CCOc1ccc([C@H](O)C[C@H](CC)CCC)cc1 2353458958 XKFASMQTGBJBLD-RHSMWYFYSA-N 262.393 4.501 30 10 CJEE CCCCCCC[C@@](C)(NC1(C)CCCCC1)C(=O)O 2353869768 VENRNILWBBBHBH-QGZVFWFLSA-N 283.456 4.503 30 10 CJEE O=C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCC12CCC2 2354837931 SWIXBIULSULTAY-NYTXWWLZSA-N 282.374 4.597 30 10 CJEE CCCCCCCCCC[C@@H](NN)[C@@]12CCCC[C@@H]1C2 2357356376 DZCKYXPPOHUGKU-KZNAEPCWSA-N 280.500 4.929 30 10 CJEE CC(C)Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 33304781 GDUYXCSYMNYEHP-BOPFTXTBSA-N 296.391 4.803 30 10 CJEE N#Cc1ccc(Oc2ccc(F)cc2F)cc1C(F)(F)F 36805613 DZTBXKURUYOIDD-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE Cc1ccc(C(C)C)c(Oc2ccc(C#N)cc2F)c1 36886842 MRDLHCABLIHDDJ-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCc1oc(-c2ccccc2OCC(C)C)cc1CC#N 77076858 SJXCTVFVQACACE-UHFFFAOYSA-N 283.371 4.610 30 10 CJEE CCCC1CC(C#N)(c2ccc(OCC(C)C)cc2)C1 86545507 MFWDTJBSUIJXSP-UHFFFAOYSA-N 271.404 4.693 30 10 CJEE CC1(C)CC(=O)C=C(Cc2ccc(C(C)(C)C)cc2)C1 87322454 QIVPIBMYUYANRO-UHFFFAOYSA-N 270.416 4.842 30 10 CJEE CC[C@H]1CCC[C@](C#N)(Cc2ccn(C3CCCC3)n2)C1 87972847 CEOFAAJLCQUFDB-MAUKXSAKSA-N 285.435 4.651 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCOc2ccc(OC)cc2)C1 88415896 SBFZQIWGDHZXRN-CRAIPNDOSA-N 287.403 4.574 30 10 CJEE CC(C)(C)C1CCC(C#N)([C@H](O)C2CCCCC2)CC1 91882474 ZJZPQHGCSVNRRS-UPTPFMHGSA-N 277.452 4.674 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Br)cc1 97208444 RXKBMJXSPWNOFL-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C=C(C)CC[C@@H](CCCc1cccs1)NCCC 97419356 JHXYCJSYRUKSCU-OAHLLOKOSA-N 265.466 4.795 30 10 CJEE CC(C)/C=C1\CC/C(=C/c2ccc(Cl)cc2)C1=O 104377239 AALFNOPXDNVJAN-ITAGJCAXSA-N 260.764 4.669 30 10 CJEE C#CC[C@@H](CC)c1cc(Cl)cc(Cl)c1OCC 107656183 KFBCKHLDTJWUDU-SNVBAGLBSA-N 271.187 4.909 30 10 CJEE CCCCCCCCCCCCNC[C@@H]1CCOC1 110164846 LAGVTCLOWACPSL-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CCCCCCCCCC1(CNC(C)C)CCOCC1 110214570 HGEBIGRCSIIVAF-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H](C)OCC 113370646 VPHKITQCPCBBKM-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCCCCCCCC[C@@H](O)C(C)(C)N(CC)CC 118140733 WUQBAIIOBMKDFF-MRXNPFEDSA-N 271.489 4.608 30 10 CJEE CCCCCCCC[C@@H](NCC)C(C)(C)N(CC)CC 118142108 QLJLCKOSZUDORI-QGZVFWFLSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@@H](O)C1(N(C)C)CCCCC1 118180606 MXVVVIRZJCVJSM-QGZVFWFLSA-N 283.500 4.753 30 10 CJEE CCCCCCCCCn1ccc([C@H](N)C(C)C)c1 118246209 IKYIUPPDTMLYSD-QGZVFWFLSA-N 264.457 4.895 30 10 CJEE CCCCCCCCCCN[C@@H](C)CC(C)(C)OC 124758013 ZZDGHFVVNKTMBQ-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CC[C@@H](Nc1ccc(F)cc1C#N)c1cccc(Cl)c1 126278405 MWSMPRDMTFOIFQ-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCNc1ccc(C#N)cc1N 129214972 ZIOOZHLKFPMHES-UHFFFAOYSA-N 273.424 4.693 30 10 CJEE CCCCCCCC[C@H](NN)C(CCC)CCC 130329822 YQXIPHSBTLKYRE-INIZCTEOSA-N 256.478 4.785 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H](OC)C(C)(C)C 130908039 LADQAJWWAYULII-HOTGVXAUSA-N 271.489 4.776 30 10 CJEE CCCCCCC[C@H](Cc1cc(C)ccc1OC)NCC 133397208 OEJDFKZUNQFYFH-GOSISDBHSA-N 291.479 4.885 30 10 CJEE C=CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC(C)C 156299243 JKRYGOGIPPRANJ-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CCCCCCCCOc1nc(C)nc(NCCC)c1C 158017938 LSNWXHMEOXYJRT-UHFFFAOYSA-N 293.455 4.655 30 10 CJEE CCCCCCCCNc1c(C#N)cnc2ccccc12 159330763 BWYKNHHNRSTMRB-UHFFFAOYSA-N 281.403 4.879 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](O)[C@H](C)C1 159464456 YHMDCKLPMRSBLQ-MSOLQXFVSA-N 283.500 4.610 30 10 CJEE N#Cc1ccc(Cl)cc1NCc1ccc(Cl)cc1F 160698738 FJDFGCYRLQSEPF-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCCCC(=O)c1cnn(C)c1 164306662 AKLNHONNYPUXSH-UHFFFAOYSA-N 264.413 4.524 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H](OCC)C1CCCCC1 167728211 ITAPJGKYDYXXRP-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@@H](C(C)C)CC2)C1 227437412 ACHNPRNGZUOVSY-MKXGPGLRSA-N 290.495 4.853 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CNC(C)C 229121071 HACBBTSAEDCTTK-SFHVURJKSA-N 284.532 4.883 30 10 CJEE CC(C)(C)c1ccc(CC2=CC(=O)CCCC2)cc1 230163791 WFCZEFYRCTUATN-UHFFFAOYSA-N 256.389 4.596 30 10 CJEE CCC(C)(CC)Nc1ccc(C(F)(F)F)cc1C#N 230959356 JLQDILNLGCXEJN-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE CSc1ccccc1Nc1cc(Cl)ccc1C#N 232274686 IQVZWTZGWSFUPC-UHFFFAOYSA-N 274.776 4.677 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Nc1ccc(C#N)cc1Cl 232794275 BFOYVYYNDWLXFN-YLQAJVPDSA-N 288.822 4.838 30 10 CJEE C=CCCCCC[C@H](NC)c1ccc(Br)cc1 234437221 BJOFNWCEMXCNAM-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE C[C@H](CCS)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 251273424 YBGKUBUVHHTLKC-DSJMHWKBSA-N 270.482 4.564 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@](O)([C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252824079 SCHBMWLVACHVNI-MGGVOPSTSA-N 289.463 4.674 30 10 CJEE Cc1ccc(C(C)(F)F)c(C2(C#N)CCCCC2)c1 260235619 AUGPHMKDACIGBF-UHFFFAOYSA-N 263.331 4.832 30 10 CJEE COc1c(C(C)(F)F)cccc1C1(C#N)CCCCC1 260261949 BNWQNJUJGJIQPK-UHFFFAOYSA-N 279.330 4.532 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CCc2sc(Cl)cc21 310548083 FLKHZHAHXKKCCG-LLVKDONJSA-N 269.841 4.581 30 10 CJEE N#C[C@]1(C[C@@H]2CCCC(F)(F)C2)CCc2ccccc21 312135295 LPBLCUQZMILLES-XJKSGUPXSA-N 275.342 4.610 30 10 CJEE CCC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 312411486 RUUKSBNYEVXBDQ-UHFFFAOYSA-N 285.730 4.597 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1 384762783 ATPWERXGYFOYNT-CYGHRXIMSA-N 277.452 4.674 30 10 CJEE CC(C)(C)NCc1cccc(SCCCCCC#N)c1 385184361 BTPJNVLNDBBARF-UHFFFAOYSA-N 290.476 4.751 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H]1C[C@H]1CC(C)C 388032937 PURONMQGOBAWHB-BRWVUGGUSA-N 268.489 4.641 30 10 CJEE C=CC[C@H](CC)N[C@@H](C)c1cccc(C(F)(F)F)c1 393744752 KQJMXIGOEJVDHG-FZMZJTMJSA-N 271.326 4.711 30 10 CJEE CCCCCCC[C@](C)(CN)N1C[C@H](CC)CC[C@@H]1C 394464537 VCCURJWVMSIAKG-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE Cc1cccc(CSC[C@@H](C#N)C2CCCCC2)c1 397294716 JLVTUGYHBNLVLX-QGZVFWFLSA-N 273.445 4.948 30 10 CJEE CCCCCCCCC[C@H](CC[C@@H]1CCOC1)NCC 401071889 NGCNNPIEHOMLHH-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 575339687 MHHLCNCQHYXIGB-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C#CCCCCC[C@]1(CNC2CC2)CCCC[C@@H]1C 686694060 ILJPEOQSIXPDLZ-FUHWJXTLSA-N 261.453 4.519 30 10 CJEE C#CCCCCCC(=O)c1cccc(Br)c1C 686697721 QJDUJLGTMKPPSB-UHFFFAOYSA-N 293.204 4.524 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CC2(F)F)CC1 691230827 HSLHKONASHLYLC-LXVYMNJGSA-N 255.352 4.778 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C)c1 692271810 KMIQOKCWAUFOOF-JZXOWHBKSA-N 257.421 4.781 30 10 CJEE CCCCCCCCCNC[C@@H](OC)C1CCCCC1 695159008 CZDHUNGIWCXDTR-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](O)CC1(CSC)CC1 696045212 NJTPDQZFILJMRA-AWEZNQCLSA-N 258.471 4.631 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C[C@@H](C)CN 697010877 JAJCWPGLUSHQHK-IAGOWNOFSA-N 271.489 4.643 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](COC)C[C@H]1NCCC 698809905 COJCOTLVMDBICB-RCCFBDPRSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCC[C@H](O)[C@]1(N)CCC[C@H](C)C1 702887562 GRSMWDKKKVUQPC-BZSNNMDCSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@](C)(N)COc1ccccc1 704493996 RLCVIJDBGHRQST-KRWDZBQOSA-N 263.425 4.533 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2c(c1)OCC2(C)C 707865808 MIWOFFFGNPGQLH-MRXNPFEDSA-N 275.436 4.717 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H](C1CCCC1)C1CCC1 711836504 UCKIPOJVEKSBKP-QGZVFWFLSA-N 288.822 4.982 30 10 CJEE C=CC[C@H](C)[C@@H](NC)C1CCC(CCCC)CC1 715753125 BQCWZPARBSMDOU-ZGRYLRDCSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1c(C)cc(C)cc1C 715792660 DOTLALMOVIYJMC-KSSFIOAISA-N 259.437 4.865 30 10 CJEE C=CC[C@H](C)[C@H](NCC)[C@@H]1CC[C@H]2CCCC[C@H]2C1 715811783 DPRFLGZZOWZDPL-RZFLPCETSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1ccc(C(F)(F)F)s1 717947797 WTCRMSXHHZDFFB-ZJUUUORDSA-N 277.355 4.772 30 10 CJEE CC[C@](O)(CC1CCCCC1)[C@]1(C#N)CCCC[C@@H]1C 720414128 HFUWJTWWMBRXAZ-SZMVWBNQSA-N 277.452 4.818 30 10 CJEE CCCC(CS)(CCC)CN(C)CC1(C)CCC1 720681294 QZHSNXGNHWYEAG-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE C#CCCCn1ccc2cc(OCc3ccccc3)ccc21 720860786 FAZSWPPRAFDCLX-UHFFFAOYSA-N 289.378 4.634 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(C)cc(Cl)c2)CC1 724552759 PBLQQKUUVWQYSK-MRXNPFEDSA-N 264.796 4.818 30 10 CJEE C=C1CCC(CC(=O)c2cc(Cl)ccc2F)CC1 724579741 QIJWJPYZUIUIPQ-UHFFFAOYSA-N 266.743 4.798 30 10 CJEE C=C1CCC(CC(=O)CSc2cccc(F)c2)CC1 724590837 WYZDUQSCTVFMKX-UHFFFAOYSA-N 278.392 4.623 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@]23CCCC[C@H]2C3)CC1 724616325 KXWHAWJOTHCMOA-BZSNNMDCSA-N 261.453 4.681 30 10 CJEE Cc1ccc(N=Cc2c(C)n(C)c3ccccc23)cc1 1084429417 HQXUVURDNFJXTR-UHFFFAOYSA-N 262.356 4.546 30 10 CJEE C=CCCCCCN(C)c1ccc(C)cc1Br 1170631804 CEERCMJCTDMETN-UHFFFAOYSA-N 296.252 4.940 30 10 CJEE C=C[C@@H]1CCCCN1[C@@H]1CC[C@](C)(c2ccccc2)C1 1181314498 GFBHCRJZUHJCQG-QRVBRYPASA-N 269.432 4.537 30 10 CJEE C=CCOc1ccc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)cc1 1181689365 ZTGMVMGJFFJBFB-FRQCXROJSA-N 287.447 4.556 30 10 CJEE C#CCCN(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 1192081375 XBAIEDLPYOMPMZ-NRFANRHFSA-N 289.422 4.508 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](Cc1ccccc1)C(C)C 1207558091 VHCJORACSNKRMJ-MJGOQNOKSA-N 273.464 4.978 30 10 CJEE CCCCCCCCC[C@H](C)NCc1conc1C 1258229926 QPJGZSNCCDGTDR-AWEZNQCLSA-N 266.429 4.602 30 10 CJEE C=CCN(C(=O)[C@@H](C)CCC(C)(C)C)c1ccccc1 1264356568 KMJBPFNEZPXYQD-HNNXBMFYSA-N 273.420 4.668 30 10 CJEE C#Cc1ccc(NC(=O)CCCC[C@@H](C)CC)c(Cl)c1 1289443775 RUMQFHCENFVLNK-ZDUSSCGKSA-N 291.822 4.866 30 10 CJEE C=CCC[C@@H](CCC)N[C@@H]1Cc2ccc(Cl)cc2C1 1308970442 AJPAITSLBASCPM-IAGOWNOFSA-N 277.839 4.532 30 10 CJEE C=CCN(C(=O)/C(C)=C\c1ccc(C)cc1)c1ccccc1 1352783920 YQHIKMPVTRAGIJ-ICFOKQHNSA-N 291.394 4.618 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1cc(Cl)cc(Cl)c1 1355416390 HMGAIUFATJYEOY-VIFPVBQESA-N 272.175 4.534 30 10 CJEE C=CC1(CC(=O)Nc2ncc(Cl)cc2C)CCCCC1 1436540434 APKBIDIMTYOMLT-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=C(C)CN[C@@H](CCC(C)C)c1ccc(Cl)cc1 1459839292 GRBHKIWYTRMBNM-INIZCTEOSA-N 265.828 4.983 30 10 CJEE C=CCCC[C@@H](C(=O)OCc1occc1C)c1ccccc1 1460451571 KMZJYSUCKJWEFZ-QGZVFWFLSA-N 298.382 4.771 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)c(SC)c1 1460901992 JTHOODZFVXJGSS-CQSZACIVSA-N 283.824 4.603 30 10 CJEE C[C@H](CCC#N)CN1CCc2c(-c3ccccc3)cccc21 1462049853 HCIKMFNFWSAWLN-MRXNPFEDSA-N 290.410 4.656 30 10 CJEE C=CC[C@@H](C(=O)NCC1CCCCCCC1)c1ccccc1 1517179971 QZLGNQQLTJBCQH-LJQANCHMSA-N 299.458 4.823 30 10 CJEE C=CCC1(C(=O)O[C@@H]2CCC[C@H](C)[C@H]2C)CCCCC1 1521314635 ZHUOLRMWASKVMA-ARFHVFGLSA-N 278.436 4.881 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C/C=C/c1ccc(C)cc1 1528528021 OSDCAGLTIZWJOV-ZFYPLVIYSA-N 297.442 4.649 30 10 CJEE C=CCC1(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CCCC1 1532276207 DJEFIDNMYDHRMQ-GVDBMIGSSA-N 289.463 4.598 30 10 CJEE C=CCC1(NC(=O)c2cc3ccccc3s2)CCCC1 1532701389 NTFGYHZLQGLSLK-UHFFFAOYSA-N 285.412 4.520 30 10 CJEE C=CC[C@@H]1CCN(C(=O)[C@@H](C)CCCCCCCC)C1 1533761712 AUXKUZKGJOMZFK-DLBZAZTESA-N 279.468 4.798 30 10 CJEE C=CCCC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 1533767214 YZTBEHYQRDOVOY-PKOBYXMFSA-N 297.442 4.947 30 10 CJEE C=CC[C@@H]1N(C(=O)C(CCC)CCC)CCCC1(C)C 1538657929 SRZIJHOMCHKSME-INIZCTEOSA-N 279.468 4.796 30 10 CJEE C=C(C)c1cccc(NC(=O)c2csc(C(C)C)n2)c1 1539557937 LDMSNPGJQCQFPO-UHFFFAOYSA-N 286.400 4.552 30 10 CJEE C=CCCCCCN1CCC[C@H]1CC(=O)c1cccs1 1559618131 WVQCAZJKAJFFNO-HNNXBMFYSA-N 291.460 4.532 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H](C)Cc1ccccc1 1560015563 IGYOFVSTNDMFEK-SFHVURJKSA-N 279.427 4.696 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H]2C[C@H](c3ccccc3C)C2)C1 1560456239 PFIUEOBYTKZBDJ-XSLAGTTESA-N 269.432 4.575 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC/C=C/c1ccccc1 1617466351 OSQXPRNHNWCDAG-OEAGFLSSSA-N 297.442 4.731 30 10 CJEE C=CCCC1(CNC(=O)[C@@H](CCC)C(C)C)CCCC1 1617484801 YJVSIPSCPWLZDK-INIZCTEOSA-N 279.468 4.702 30 10 CJEE C=CCCCCC[C@@H](C)NCC(C)(C)C(C)(F)F 1621482018 IDIAOLCXVPQAEK-CYBMUJFWSA-N 261.400 4.782 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H](C)c1cc2ccccc2o1 1625513155 ZOFCESPTROELGC-AWEZNQCLSA-N 299.414 4.645 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=C)C)c1 1628033733 IWSWRJLHFQKUMU-QAPCUYQASA-N 298.430 4.976 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CCC[C@@H](C3CCC3)C2)c1 1628034019 OYGUGSOSHJEMTP-QGZVFWFLSA-N 298.430 4.764 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)CCCCCC)C1 1641029641 HHMSFPQHTVAGRO-SJORKVTESA-N 279.468 4.798 30 10 CJEE C=CCOCCSC1CCC(c2ccccc2)CC1 1641401843 PAMGCJOXHJDOHJ-UHFFFAOYSA-N 276.445 4.649 30 10 CJEE C=C(C)CN(C)Cc1ccc2c(c1)c1ccccc1n2CC 1641525690 YUGDKEUBZXHMSB-UHFFFAOYSA-N 292.426 4.822 30 10 CJEE C#CCCCCCCN1CCCc2c(Cl)ccc(C)c21 1643339941 BDDQTZUCDSBCPY-UHFFFAOYSA-N 289.850 4.985 30 10 CJEE C=CCOc1cccc(CNCC[C@H]2CCCC[C@H]2C)c1 1649608402 LPJYJNYGXZOJLJ-SJLPKXTDSA-N 287.447 4.557 30 10 CJEE C=CCC(C)(C)CN[C@@H]1CC[C@@H](CCC(C)C)C1 1651125302 MQPHHTAZSPUDOU-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE C=CCCCCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 1653456289 MTCFELADSVCQFJ-PKOBYXMFSA-N 271.448 4.858 30 10 CJEE C=CC[C@@H]1N(C[C@@H](OC)C2CCCCC2)CCCC1(C)C 1654318444 UTZOGXUJAZDVCH-MSOLQXFVSA-N 293.495 4.648 30 10 CJEE C[C@@H](CCC#N)CN1CCC[C@@H]1c1cccc2ccccc12 1657330511 DXAWDGVTACVOLZ-OXJNMPFZSA-N 292.426 4.917 30 10 CJEE C=CCCCCCN(C)C[C@@H]1CC[C@@H](c2ccccc2)O1 1657378409 ZUTNAIAYEPKEOC-OALUTQOASA-N 287.447 4.585 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@H](CC)c2ccc(F)cc2)C1 1657519781 DFPYZPNXTQTPGM-KBRIMQKVSA-N 261.384 4.611 30 10 CJEE C=CCCCCN1CCC[C@H](c2ccc(F)cc2)CC1 1657917289 VISUYWXXEOJGEF-INIZCTEOSA-N 275.411 4.752 30 10 CJEE C=CCCN(C)[C@@H](C)c1cc(Cl)ccc1Cl 1658284230 WBUJBQCFWODVOQ-JTQLQIEISA-N 258.192 4.562 30 10 CJEE C=CC[C@H]1CC[C@@H](N[C@H](C)c2ccc3c(c2)CCCC3)C1 1658756709 IACQCHSMWBGOIA-GQIGUUNPSA-N 283.459 4.961 30 10 CJEE C=CCC[C@H](CC)Nc1ccc(Cl)cc1OC 1659547725 UMUAXASZEDAUBI-LBPRGKRZSA-N 253.773 4.505 30 10 CJEE C=CCCN1CC[C@@H](c2ccccc2)c2ccccc21 1659736508 IXQGRXUBNSLUSL-KRWDZBQOSA-N 263.384 4.605 30 10 CJEE C=CCC1(NC(=O)Nc2ccc3c(c2)CCC3)CCCCC1 1665381725 POGQLVQZURPSCU-UHFFFAOYSA-N 298.430 4.576 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc(C(C)(C)C)cc1 1665788093 JYTIFPORCFLWRI-UHFFFAOYSA-N 288.435 4.708 30 10 CJEE N#Cc1cncc(-c2ccc(Cl)c(Cl)c2Cl)c1 1848373362 ZSWFWFZOMSUKST-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE CC1CCC(=NOCc2ccc(Cl)cc2F)CC1 1860463930 BSOCFGKAVMDZQJ-UHFFFAOYSA-N 269.747 4.562 30 10 CJEE O=C(ON=C1CCCCCCC1)c1cccc(Cl)c1 1860820797 OFPOTWJZRCFNPZ-UHFFFAOYSA-N 279.767 4.597 30 10 CJEE CCCCCCC[C@@H](NC)[C@@](O)(CC)CCCCC 1879215785 NWZGGDHQLREDQD-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCCC2(CC2)C1 1879781391 VPCZIRIFFDOVSV-IUODEOHRSA-N 274.795 4.614 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@]1(C#N)CCCSC1 1879873821 UPJZBMNFCYNXKI-HZPDHXFCSA-N 283.481 4.525 30 10 CJEE C=CCCN(Cc1ccccc1)CC1CC(C2CC2)C1 1882665190 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4.609 30 10 CJEE CCCCCCCC[C@H](OCCCN)c1ccc(C)o1 2293413868 PBJFUZPKZFSIOA-INIZCTEOSA-N 281.440 4.745 30 10 CJEE CCCCCCCCCC[C@]1(OCCCN)C=CCC1 2293505726 WNVVWVHKCNLNIV-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@H](CC[C@@H]1C[C@@H]1CC)OCCCN 2293599126 LHRCZPOSVWLSIW-RCCFBDPRSA-N 283.500 4.907 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CCC(C)(C)C[C@H]1C 2294231136 ONMCVNHKYBJZIW-JZXOWHBKSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@](C)(CC1C[C@H]2C[C@@H]2C1)OCCN 2294308190 MADJSEHLBWOQHK-OKZBNKHCSA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@H](NC)c1cc(C)cc(C)c1OC 2295266344 ZYNHDVQBEUPNHT-KRWDZBQOSA-N 277.452 4.933 30 10 CJEE C=C1CC([C@H](NCCC)c2cc(Cl)c(C)cc2OC)C1 2295376630 WEDFVOGWWZHHSY-KRWDZBQOSA-N 293.838 4.664 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)CC1CC(C)C1 2295675756 FGMBXLVMVMPOBG-HIEASXQVSA-N 283.500 4.642 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2307613067 GZGLWWMGCWPDIU-KOLCDFICSA-N 272.219 4.917 30 10 CJEE CCCC[C@@](C#N)(CC)CC(C)(C)[C@H](O)C(C)C 2318033101 OPFGDIUCEVWSPC-ZBFHGGJFSA-N 253.430 4.530 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)c(C)c1F 2321095814 MLXVQOIGGQCVRH-GJZGRUSLSA-N 269.791 4.780 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(C)cc1Cl 2321115100 CWAJLECHVWRXSX-HOTGVXAUSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(Cl)cc1F 2321145122 NBZPDURQBIHDJK-HNNXBMFYSA-N 268.759 4.583 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@H]1C[C@H]1CC)NCCC 2321146022 VNUPZNSPHWYXBV-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE CC(=NOCc1ccc(C)cc1)c1ccc(Cl)cc1 2330455785 SJEISBPSMGFSHX-UHFFFAOYSA-N 273.763 4.589 30 10 CJEE CC[C@H]1CC[C@@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2332784091 MTEBHMFCDIPBPB-DKIMLUQUSA-N 262.437 4.988 30 10 CJEE C=C1CC(CNC(C)(C)C)(C[C@H]2C[C@@H]3CC[C@H]2C3)C1 2334354212 PRAIVVWQUKLTKW-OWCLPIDISA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)OC(=O)Cc1cc(Cl)cc(Cl)c1 2335110389 INFMGYXZCMIVIX-UHFFFAOYSA-N 299.197 4.600 30 10 CJEE C=CC[C@H](C)Sc1ccc2c(c1)CC[C@@H]2NCCC 2335246190 UISNVXFDCMJDSP-GUYCJALGSA-N 275.461 4.730 30 10 CJEE CCCN[C@H](C#CC1CCC1)c1cc(Cl)cc(Cl)c1 2337423116 WGNWQCFZNCAPDT-MRXNPFEDSA-N 296.241 4.838 30 10 CJEE C=CCC(CC=C)NC(C)(C)CCc1ccccc1 2338726972 GTOZIZSJZBTNNX-UHFFFAOYSA-N 257.421 4.508 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccccc1C(C)(C)C 2338731608 BUVZIBTWWALUAX-QGZVFWFLSA-N 257.421 4.752 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CC[C@@H]2C[C@H]2C1 2338733789 VXSFTCZRBIKKLL-BDXSIMOUSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1C[C@H]1C(C)(C)C 2338738571 NMPQJFKMZRPWDZ-ZACQAIPSSA-N 263.469 4.805 30 10 CJEE C=CCC(CC=C)[C@]1(CNCCC)CCCC12CC2 2338745744 ZGFRACKAEWCHRW-GOSISDBHSA-N 261.453 4.705 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccccc1C1(C)CC1 2344343385 DHWPDCSSNJOYIA-DLBZAZTESA-N 257.421 4.730 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1nc(C(C)(F)F)cs1 2344373762 CRYLRUIGIZMTNW-WCQYABFASA-N 288.407 4.508 30 10 CJEE CC(C)c1cccc(N[C@@H](C)CC(C)(C)C#N)c1F 2352884429 DQIBMDIQWSEROC-LBPRGKRZSA-N 262.372 4.689 30 10 CJEE CSc1cc(SCC23CCC(CC2)C3)ccc1C#N 2353846079 OVAOYXSGWCGTLQ-UHFFFAOYSA-N 289.469 4.953 30 10 CJEE CCCCCCCC[C@@](C)(O)C[C@H]1CC[C@@H]2C[C@H]1CO2 2359060320 SSHXDWZVVKACJA-XMTFNYHQSA-N 282.468 4.693 30 10 CJEE CCCCCCC[C@](C)(OCCN)[C@H]1CC[C@@H]2C[C@@H]2C1 2360069924 IJNOARKVMCSCFJ-BDXSIMOUSA-N 281.484 4.517 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@@H]2CC[C@H]1C2 2360139121 XVDMXVDBEINWRV-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE C=CC[C@H](C)SCC[C@H]1CCCC[C@@]1(C#N)NC(C)C 2360207549 IVJHGQYPAJIYNL-BBWFWOEESA-N 294.508 4.525 30 10 CJEE C=CCC(CC=C)OC(=O)C1CCC(C(C)(C)C)CC1 2360212230 DFRGTWRIJFVTPT-UHFFFAOYSA-N 278.436 4.903 30 10 CJEE N#Cc1ccc(COc2ccc(-c3ccccc3)cc2)cc1 6231740 PZMAAUVBBMCEPT-UHFFFAOYSA-N 285.346 4.804 30 10 CJEE Cc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)s1 20688922 RCFMVVTZNHLKTO-JCKWVBRZSA-N 292.407 4.755 30 10 CJEE CC(C)(C#N)c1ccc(NCc2cccc(Cl)c2)cc1 36922268 ASJZJPZXNQJNAH-UHFFFAOYSA-N 284.790 4.753 30 10 CJEE C=CCOc1ccccc1CNc1cccc(C(C)C)c1 37231127 YWUQURIWYRCUOE-UHFFFAOYSA-N 281.399 4.987 30 10 CJEE Cc1cccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)c1 37282077 WTFMPDRAWWDVAG-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(Cl)cc1 37333889 ZITWPEVREILZAV-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 37937936 RPWFOAGBMMVTLQ-SFHVURJKSA-N 278.399 4.969 30 10 CJEE Cc1cccc([C@H](C#N)Nc2ccc(Cl)cc2)c1C 43315130 DGOGWNNECNNDTJ-INIZCTEOSA-N 270.763 4.634 30 10 CJEE Cc1ccc(SCCCC[C@](C)(C#N)NC(C)C)cc1 45363453 MKEVXAYKSAKTGS-QGZVFWFLSA-N 290.476 4.538 30 10 CJEE CCc1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)s1 51719738 WKFACICARDWBEH-CYBMUJFWSA-N 276.792 4.641 30 10 CJEE CCCN[C@](C)(C#N)CCCCS[C@@H]1CCC[C@H](C)C1 54695144 ZXELIGDCGRGEMT-BBWFWOEESA-N 296.524 4.750 30 10 CJEE CCCCCCCCOc1ccc([C@H](N)CC)cc1 59088188 BIUHOMHACZEHOC-QGZVFWFLSA-N 263.425 4.836 30 10 CJEE CCCCCCC[C@@H](C)NCCCN(C)c1ccccc1 59089771 SGVSQXOQWAEKBU-GOSISDBHSA-N 290.495 4.852 30 10 CJEE CC1(C)CCC[C@@H](Nc2ccc(C(C)(C)C#N)cc2)C1 79973502 UMPROKVRCOVTAJ-MRXNPFEDSA-N 270.420 4.868 30 10 CJEE COc1c(C)cc(C)cc1C(=O)/C=C/c1sccc1C 83193804 JHRZYKCCUIAALA-AATRIKPKSA-N 286.396 4.578 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2Cc3cc(C)ccc3O2)C1 90902691 BBFCAHOQVGUREJ-AYBZRNKSSA-N 283.415 4.799 30 10 CJEE N#Cc1csc(CNc2c(Cl)cccc2Cl)c1 93688355 CQSKIUDOOKWYCK-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=C(CC)C[C@@H](NC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547291 YVFPQFFUQAIHSO-KVMJBUIKSA-N 275.480 4.927 30 10 CJEE CCCC(CS)(CCC)Cn1c(C)nc2ccccc21 94586709 DYGUDZLSARZTEL-UHFFFAOYSA-N 290.476 4.861 30 10 CJEE C=C(C)CC[C@H](CCCc1ccccc1)NCCC 97419393 CWRQATORXQXPEH-SFHVURJKSA-N 259.437 4.734 30 10 CJEE CC[C@@H]1O[C@H]1[C@@H](C)Cc1ccc(OCc2ccccc2)cc1 107579457 YNKGLMHHOSOQDU-YSSFQJQWSA-N 296.410 4.622 30 10 CJEE CCCCCCCCC[C@H](CN)Cc1cccc(OC)c1 110520684 SEIAKEZJECYPGK-SFHVURJKSA-N 291.479 4.953 30 10 CJEE CCCCCCCCOc1c(C)cc(C[C@H](C)N)cc1C 111818205 CASMYABLIHRJPO-KRWDZBQOSA-N 291.479 4.932 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)(C)C)NCC1(C)C 114063555 AQAMVVFQDUYTQG-KRWDZBQOSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@@H]1CCOC1 115761533 RSGJCUYDIKMADC-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@H](NC)[C@]1(N(C)C)CCC[C@H](C)C1 118185317 KVGYZMAXYYXRIW-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(F)cccc1Cl 122350351 PGLUVMFYPSGDEL-CQSZACIVSA-N 286.822 4.734 30 10 CJEE C[C@@H](CCNc1cc(C#N)ccc1Cl)c1ccccc1 127740817 VJOCHFVOISPQAY-ZDUSSCGKSA-N 284.790 4.817 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2nccc(C)c2C#N)c1 135091885 HJVNWHWHTKLNPS-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCCC[C@H](O)c1c(C)nn(C)c1C 135560564 BVYOWPMWYIJHAA-INIZCTEOSA-N 280.456 4.601 30 10 CJEE CCCCCCC[C@@H](CCc1ccc(C)cc1)NC 139545637 YSEGNBDSYVPPIE-SFHVURJKSA-N 261.453 4.876 30 10 CJEE CCCCCCCCC[C@H](NC)c1coc(C)c1 157818504 JJBKIDYWCJRPEU-INIZCTEOSA-N 251.414 4.989 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](OC)C1CC1 158235255 FZSZHKFUVHYSQM-IRXDYDNUSA-N 269.473 4.530 30 10 CJEE CCCCCCCCNc1cc(C)nc(C(C)C)n1 161071947 IPXVGJSCKQMMLJ-UHFFFAOYSA-N 263.429 4.681 30 10 CJEE CC(C)[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Cl 162788363 ZEAWEVCTINWUBN-NVXWUHKLSA-N 290.838 4.516 30 10 CJEE C=C(C)CCC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 164481800 ZSXOLBRLAIVFQX-JGAFYBCUSA-N 260.421 4.908 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C)c1Cl 229740510 DXHXJSKSFWIYFZ-CQSZACIVSA-N 251.801 4.655 30 10 CJEE CCC(=CC(=O)c1ccc(Cl)c(Cl)c1)CC 232879652 PHLHNGSUOSJORC-UHFFFAOYSA-N 257.160 4.923 30 10 CJEE CCCCCCCCC[C@H](C#N)NCc1cccs1 232936365 AEQQTQCKCSTGHO-OAHLLOKOSA-N 278.465 4.871 30 10 CJEE CCCCCCCCCC[C@@H](CC1OCCO1)NCCC 232937631 HZHGFUVAGBAZRM-KRWDZBQOSA-N 299.499 4.648 30 10 CJEE CCCCCCCC(=O)c1cnc(C(F)(F)F)s1 232938093 VOPSMASCAFUBMP-UHFFFAOYSA-N 279.327 4.705 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc(C)cc1Cl 233615279 GIKFQACWRVQYER-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(Cl)cc1F 234459447 SDIFCAJVAROBOY-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=C[C@H](C)Nc1ccc(Br)c2ccccc12 235545781 UTHCTPSPMZUYDS-JTQLQIEISA-N 276.177 4.589 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O 253104750 ZPMMKBLHXMOCPH-IPMKNSEASA-N 295.511 4.753 30 10 CJEE CCCCCCC[C@@H](N)Cc1sccc1Cl 304627537 YNOSYKJHLSKHBW-LLVKDONJSA-N 259.846 4.632 30 10 CJEE C=C(C)CC[C@@H](NC)c1cccc(OCc2ccccc2)c1 309802160 WYAJQINUENJWLP-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)CCC1CCCCC1 311345183 RTDVYQVSOADJHB-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCC(CS)(CCC)CN1CCC2(CCCC2)C1 311363874 FYMFPMNQVVMGOV-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE CCCC[C@@H](C)C(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 312279593 PAXKZMHFVFZFKS-PBHICJAKSA-N 271.404 4.813 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCC(F)(F)F)C1 316957806 CXYCQPRMXFPTJY-NEPJUHHUSA-N 250.304 4.505 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@H]1CCCCO1 379218089 IHMCGNRUSUTASC-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCOC[C@@H]1CCNc2ccccc21 380800506 YJCJASONXUWLOT-INIZCTEOSA-N 275.436 4.963 30 10 CJEE C[C@H]1CCC[C@](C#N)(c2ccc(C(F)(F)F)cc2)C1 382161063 HUBDIHQRZIGHOY-FZMZJTMJSA-N 267.294 4.677 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1csc(C)n1 384414035 XFVGABSLRFZETJ-OAHLLOKOSA-N 297.512 4.877 30 10 CJEE C[C@@]1(c2cccc(Cl)c2Cl)CCC[C@H](CC#N)O1 386292881 DFJQILAMGPMLBC-YGRLFVJLSA-N 284.186 4.691 30 10 CJEE N#C[C@@H](CNc1cccc2ccsc12)c1ccccc1 386384651 DXGIMXIFDSNMGP-HNNXBMFYSA-N 278.380 4.621 30 10 CJEE C=C(COC(C)C)[C@@H](CCCCCCCCC)NC 387587584 RNKWHRCNMMFIGU-QGZVFWFLSA-N 269.473 4.696 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@H](C)CCCC 388423577 PLDZKKQQTVRKNB-SJORKVTESA-N 270.505 4.575 30 10 CJEE C=CCCCCCCn1c(S)nc2c(F)cccc21 389292474 NWXMRLYGTQWGMZ-UHFFFAOYSA-N 278.396 4.601 30 10 CJEE CCCCCCCCCC[C@@H](C)[C@@H]1[C@H]2CN[C@H]1C2 400104242 FSCROMFZBCZCKK-WCXIOVBPSA-N 251.458 4.761 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CCCc1ccccc1 466429339 XMGXQWSFUXSKCA-HKUYNNGSSA-N 299.458 4.603 30 10 CJEE C=CCCCCCN[C@@H](C)c1ccc2ncsc2c1 488067678 QLVRQINULYWFBQ-ZDUSSCGKSA-N 274.433 4.693 30 10 CJEE C=CCCc1ccccc1NCc1scnc1C1CC1 500401496 VNIVWCBYLSAKBK-UHFFFAOYSA-N 284.428 4.751 30 10 CJEE C=CCCCNC(=O)Nc1cc(Cl)ccc1C(C)(C)C 670056695 KJWLPBKUSBXTKX-UHFFFAOYSA-N 294.826 4.725 30 10 CJEE C=CCCCNC(=O)c1sc2cc(C)ccc2c1Cl 684127910 SBXVNCRSFFKKMV-UHFFFAOYSA-N 293.819 4.559 30 10 CJEE C#CCCCCCSc1ccccc1Br 686685358 FXZIKPUGXAMKLW-UHFFFAOYSA-N 283.234 4.735 30 10 CJEE CO[C@@H](CC1(C#N)CC(C)(C)CC(C)(C)C1)C(C)C 688310582 ZCLSPQPDTMBZTF-AWEZNQCLSA-N 265.441 4.794 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(F)c1 692205624 RNJPUBXEXXKTJW-CJNGLKHVSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(F)c(F)c1 692234376 IQHWTYIJGUFPFG-PBFPGSCMSA-N 279.374 4.750 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CC(C)=C[C@H](C)C1 692276218 VKTCFQPMTHSUGW-OWLYRPNTSA-N 261.453 4.703 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H](OC)C1CCC1 692756708 GPUSNELXTYVZPX-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CC(C)(CC(F)F)CC1(C=O)CCCCCCC1 694115248 CHMZVSJNTWTMKS-UHFFFAOYSA-N 260.368 4.988 30 10 CJEE CCSc1cccc(N[C@H]2CCCC3(CC3)C2)c1C#N 695766499 OVVHZHPXIYOMGD-ZDUSSCGKSA-N 286.444 4.805 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1 696063813 TWBQMYAUDZTPNU-OWSLCNJRSA-N 261.453 4.680 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 701012197 LLWLEBWOTPUTCJ-QZWWFDLISA-N 269.473 4.529 30 10 CJEE CCC[C@@H]1CCCCN([C@@H]2C[C@H](CC)CC[C@@H]2C#N)C1 703253508 CZVLWKWSUNUMQR-BRSBDYLESA-N 276.468 4.607 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1c(F)ccc(F)c1Cl 705541308 CZSYTAPSGTWYPQ-IAQYHMDHSA-N 299.792 4.843 30 10 CJEE C=CCCC(C)(C)CNc1nc2ccccc2cc1C 707760591 BILJSSMVBGQZSA-UHFFFAOYSA-N 268.404 4.948 30 10 CJEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 709103176 BNMCHHCMZBPXNC-BXUZGUMPSA-N 277.795 4.589 30 10 CJEE C[C@H]1CCCCC[C@@H]1N(C)c1cccc(Cl)c1C#N 709246868 YVSDIIUFNOUXSD-WFASDCNBSA-N 276.811 4.617 30 10 CJEE C[C@H](C/N=C1/NC2(CCCCCCC2)CS1)C(C)(C)C 713209348 UBUBJJKFBMDFIE-CQSZACIVSA-N 296.524 4.844 30 10 CJEE N#Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl 714285721 GFIBAVMIXZNNRV-YLQAJVPDSA-N 288.822 4.982 30 10 CJEE C=CCCC(C)(C)Nc1nc(Cl)nc2ccsc12 717599082 MBMAXKPKZOGJOV-UHFFFAOYSA-N 281.812 4.501 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCCCC2(C)C)c1 719198519 SOQSVSDBXOVIBH-QGZVFWFLSA-N 256.393 4.660 30 10 CJEE C=C1CCC(C[C@H](Cc2ccccc2Cl)C(=O)O)CC1 724577313 OVMDLEMQOKTDBQ-OAHLLOKOSA-N 292.806 4.720 30 10 CJEE Fc1ccc(C=NNc2cc(Cl)ccc2Cl)cc1 1083987701 FUVNUBXZEYLURC-UHFFFAOYSA-N 283.133 4.579 30 10 CJEE C=CCC[C@@H](C)Nc1ccccc1O[C@H](C)C(F)(F)F 1206142690 MOOMACQCIGIJJQ-VXGBXAGGSA-N 287.325 4.783 30 10 CJEE C=CCC[C@@H](NCc1ccc(F)cc1F)c1ccccc1 1307626694 MGMZOBRGZSYICY-GOSISDBHSA-N 287.353 4.762 30 10 CJEE C=C(C)c1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 1439932448 RHIXIDDFPPAHNL-UHFFFAOYSA-N 295.313 4.857 30 10 CJEE C/C(=C/Cl)CSCC#Cc1ccccc1Cl 1459049753 DLEHGMQWEVPMFM-LUAWRHEFSA-N 271.212 4.567 30 10 CJEE C=CCCCCCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1459915197 VRWQVHOKDKTXCP-LSDHHAIUSA-N 267.457 4.557 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2cc3ccccc3o2)C1 1462106770 MLOUUSRUMATGTI-YCPHGPKFSA-N 269.388 4.828 30 10 CJEE C=CCn1ncc2ccc(N[C@H](C)CCCC(C)C)cc21 1462624502 PLBRULDIELKXJH-OAHLLOKOSA-N 285.435 4.849 30 10 CJEE C#C[C@@H]1CCCN(C(=O)CCCCCCCCCCC)C1 1469519121 JBFALAVHCUCEAJ-GOSISDBHSA-N 291.479 4.779 30 10 CJEE C=CCCC[C@@H](C)NC(=O)NCC1(C)CCC(C)(C)CC1 1469532521 JJVHVPODEQKBAM-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CCOc1ccc(CN[C@H]2CC[C@H](C)CC2)cc1Cl 1473994509 TVHJWHXGANCPOP-CTYIDZIISA-N 293.838 4.573 30 10 CJEE C=CCC[C@@H](C)Nc1cc(OC)c2ccccc2c1 1474721238 UTKZGWHFQRQSDO-CYBMUJFWSA-N 255.361 4.615 30 10 CJEE C=CC1(CC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CCCCC1 1526278000 STFUCNNTOSUAQA-HZPDHXFCSA-N 277.452 4.550 30 10 CJEE C=CC(C)(C)CCNC(=O)c1cc(-c2ccccc2)oc1C 1529930678 QLDFZQHYRHUQPT-UHFFFAOYSA-N 297.398 4.587 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2ccc(F)cc2s1 1533391115 JHBNXWQGIXVUJY-UHFFFAOYSA-N 291.391 4.515 30 10 CJEE C=CC(C)(C)CCNC(=O)C1CCC(c2ccccc2)CC1 1540199902 UZDPHQNIWCEOOT-UHFFFAOYSA-N 299.458 4.679 30 10 CJEE C#CCN(CCC1CCCCCC1)[C@@H]1CCc2ccccc21 1559499286 OATHXZICMGPXPN-OAQYLSRUSA-N 295.470 4.970 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(C)CCCCC1 1587233620 IYMPFURIKSUABI-CVEARBPZSA-N 277.452 4.598 30 10 CJEE C=CCC(CC=C)C(=O)N(CCCC)C1CCCCC1 1595518998 PHOQEJJKAPURLY-UHFFFAOYSA-N 277.452 4.716 30 10 CJEE C=CCCCCCN1C[C@@H](C)Oc2c(Cl)cccc21 1617799326 JWKBGGNNPQYNKE-CYBMUJFWSA-N 279.811 4.674 30 10 CJEE C=CCCCCCCNC(=O)c1cccc2c(C)c(C)[nH]c12 1640330510 ZUWPDNMSPIBCFE-UHFFFAOYSA-N 298.430 4.651 30 10 CJEE C=CC[C@H]1N(Cc2ccccc2CC)CCCC1(C)C 1642917982 SAYOHUFVAWGUJV-GOSISDBHSA-N 271.448 4.816 30 10 CJEE C#CCCCCCCN(CC#C)[C@H]1CCCc2ccccc21 1648424055 NDBHSXFSZOZUIZ-NRFANRHFSA-N 293.454 4.583 30 10 CJEE C=CCCCN(CC)C[C@@H](C)c1cccc(Cl)c1 1653209931 HVGFULHAIWSUKX-CQSZACIVSA-N 265.828 4.732 30 10 CJEE C=C(C)CN[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 1653588830 OVYIARYIAQZEQZ-DLBZAZTESA-N 277.839 4.922 30 10 CJEE C=CCC[C@H](NCc1ccc(C)cc1F)c1ccccc1 1655956151 AIKVMCHELZHPGQ-IBGZPJMESA-N 283.390 4.931 30 10 CJEE C=CCC1(CN[C@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 1656244246 NANYDCYENKCPMF-MJGOQNOKSA-N 298.474 4.834 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)[C@@H](C)C1CC1 1656976551 GHQLRKJZAFHUCG-SFHVURJKSA-N 283.459 4.871 30 10 CJEE C=CCN(Cc1ccccc1F)C[C@@H]1C(C)=CCC[C@H]1C 1659079123 RNZAXQJLZKPUBY-SJLPKXTDSA-N 287.422 4.806 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1OC 1659401860 WGABCVPUWMJIHO-XJKSGUPXSA-N 293.838 4.573 30 10 CJEE C=CC(C)(C)CCCNC[C@@H](C)c1ccc(F)cc1 1659963924 OLJSXTDNNMRDOH-CQSZACIVSA-N 263.400 4.511 30 10 CJEE C=CCCCN(CC)C(=O)Nc1ccc(CCCC)cc1 1672398009 PGTHDORACHNKEV-UHFFFAOYSA-N 288.435 4.849 30 10 CJEE C=CCCCCCCCNC(=O)NC1(C2CCC2)CCC1 1673407396 YPMAGUBXOMVPNS-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=CC[C@@H](CC)NC(=O)Nc1cc(SC)ccc1Cl 1679168542 KKYDHRLKXODKHH-SNVBAGLBSA-N 298.839 4.538 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]1C(C)(C)C 1877802788 ADCQEIJOUJELRV-ZWKOTPCHSA-N 271.448 4.747 30 10 CJEE CC#CCCC[C@@H](NCCC)c1c(F)cccc1Cl 1879645620 YAPTVULNDQTCMC-OAHLLOKOSA-N 281.802 4.713 30 10 CJEE C=CCC[C@H](C)[S@](=N)(=O)c1ccc(C(C)(C)C)cc1 1879724257 ZBUMXHKXVQTQKJ-DJJJIMSYSA-N 279.449 4.744 30 10 CJEE C=C1CCC(CN(C)[C@H]2CCCCCC23CC3)CC1 1884406885 IHVLVMCRPKWCMK-KRWDZBQOSA-N 261.453 4.778 30 10 CJEE C#CC[C@@H](C[C@@](C)(N)c1c(Cl)cccc1Cl)C1CC1 1887397970 QVKRCDNCPOOXAH-BLLLJJGKSA-N 296.241 4.607 30 10 CJEE C=C(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 1888688107 DGWBAHOGZAEAIZ-UHFFFAOYSA-N 291.177 4.818 30 10 CJEE C=C(C(=O)c1ccc(C(C)C)cc1)c1ccccc1 1888718187 FFQMWXSYZMXIHQ-UHFFFAOYSA-N 250.341 4.706 30 10 CJEE CCCCCCCCOc1ccccc1C=CC(=O)O 1911927225 XJAUEGJDEMDKRV-UHFFFAOYSA-N 276.376 4.524 30 10 CJEE CC(C)(C#N)C1(O)CCCCCCCCCCC1 1921042459 QUHVFJPVNQKBCQ-UHFFFAOYSA-N 251.414 4.572 30 10 CJEE O=C[C@]1(C[C@H]2CC3CCC2CC3)CCCC12CCC2 1921596526 XWQYFZSBBJMLLV-AJTLQJAISA-N 260.421 4.742 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CCCC12CCC2 1921605523 OQYLCPNAEFHGAP-GOSISDBHSA-N 263.469 4.929 30 10 CJEE C=C(C(=O)c1ccc(F)c2ccccc12)[Si](C)(C)C 1922950004 YFDAYXOVHOSVKQ-UHFFFAOYSA-N 272.395 4.595 30 10 CJEE CCCCCCCCCCCC[C@]1(N)CCN(C)[C@H]1C 1924458175 FIXZNMZMHRIVJF-ROUUACIJSA-N 282.516 4.719 30 10 CJEE C=CC[C@@H]1CCCN1c1cccc(Cl)c1[C@@H](C)NCC 1925155941 VREHOAVHZXNSIB-ZIAGYGMSSA-N 292.854 4.555 30 10 CJEE N#C[C@@]1(C[C@H]2C=CCCCC2)CCc2ccccc21 1925762733 GDJDLTPTGPLHRO-YJBOKZPZSA-N 251.373 4.531 30 10 CJEE CCCCCCCC[C@@](C)(N)CSC(C)(C)C 1941170480 ZGRLQMUTGGHVCM-OAHLLOKOSA-N 259.503 4.986 30 10 CJEE CC(C)[C@H](C#N)n1ccc2c(Cl)cc(Cl)cc21 1942741973 IPCBUHNHRKCRRK-ZDUSSCGKSA-N 267.159 4.669 30 10 CJEE C=C([C@@H](CCCOCc1ccccc1)NCC)C(C)(C)C 1955508871 GGMWPQIZHMXZAN-GOSISDBHSA-N 289.463 4.564 30 10 CJEE C=C(Br)CCOc1ccc(Cl)cc1Cl 1956006655 RQNYXISLLXDETH-UHFFFAOYSA-N 295.991 4.671 30 10 CJEE Cc1cc(COc2cc(Cl)cc(C#N)c2)ccc1Cl 1963026936 PVYNXXGOLJCGIB-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE CCc1nc(Oc2cccc(Cl)c2C)c(C#N)cc1C 1968857366 LEBDJXGOSCCTEV-UHFFFAOYSA-N 286.762 4.578 30 10 CJEE N#Cc1ccc(N2CC[C@H]3CCCCC[C@H]3C2)cc1Cl 1973621850 IVDXRTGUULAACI-HIFRSBDPSA-N 288.822 4.618 30 10 CJEE CCCCCC#CCC(=O)c1sccc1Cl 1994212355 SEGBZPXAPIJFNZ-UHFFFAOYSA-N 254.782 4.558 30 10 CJEE CCCC[C@](C=O)(CC)Cc1ccc(CC)s1 2000503983 CSSGHICZYBDLOL-OAHLLOKOSA-N 252.423 4.639 30 10 CJEE C=CCC[C@@H](C)N(C)c1nc(Cl)c(Cl)cc1Cl 2016320531 XTWQWJOZMMQCAC-MRVPVSSYSA-N 293.625 4.833 30 10 CJEE CC#CCCCCNc1c(C)cc(Br)cc1C 2019512131 ZSXZAAIDBBPREK-UHFFFAOYSA-N 294.236 4.671 30 10 CJEE C=C(Cl)C[C@H](N)c1ccc(-c2ccccc2)s1 2025608349 OGZRYORVBMHBMC-LBPRGKRZSA-N 263.793 4.558 30 10 CJEE C[C@@H](CC(C)(C)C#N)Oc1ccc2sccc2c1 2027755601 CCWJCQLZJWDFON-NSHDSACASA-N 259.374 4.608 30 10 CJEE CCCCCCCCC[C@@H]1NC[C@](C)(CCC)O1 2027955885 GIFNKYHSJLDAPR-CVEARBPZSA-N 255.446 4.632 30 10 CJEE CCCCCCCCC(=O)C1C[C@H]2[C@H](C1)C2(C)C 2032597701 LJOOVFYDJUCIQN-GJZGRUSLSA-N 250.426 4.988 30 10 CJEE C=C([C@H](NCC)c1ccc(C)cc1Cl)C(C)(C)C 2035419779 PKXGRYHVTSPQED-HNNXBMFYSA-N 265.828 4.901 30 10 CJEE CCCCCCCC[C@H](N)c1nccc(Cl)c1F 2036800196 GJZZJHQKYPCNTE-LBPRGKRZSA-N 272.795 4.625 30 10 CJEE CCCCCCCCCC[C@@H](N)C1C[C@@H]2C[C@H]2C1 2037118810 WTYWPTIQHSRFIF-YQQAZPJKSA-N 251.458 4.891 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CC1CC(C(F)(F)F)C1 2037919463 BSQKWOGYMJZUFO-WTIISPKJSA-N 259.315 4.685 30 10 CJEE CCCCCCC[C@@H](O)[C@@H]1CCCC(F)(F)CC1 2038148144 GVIMMALKNGMQAI-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=CCCCCC[C@@H](N)[C@@H]1CCCC(F)(F)CC1 2038287282 APLXJNGCRJWJMC-ZIAGYGMSSA-N 259.384 4.666 30 10 CJEE CCOC(C)(C)C[C@@]1(C#N)CCCC(C)(C)CC1 2039379671 BPSFXHHVEKCRCX-MRXNPFEDSA-N 251.414 4.692 30 10 CJEE Cc1sccc1C[C@@]1(C=O)CCCC(C)(C)CC1 2039921560 RKQNDLSGSHMYHB-MRXNPFEDSA-N 264.434 4.775 30 10 CJEE C=C1CCC(CNc2cc(F)c(F)cc2Cl)CC1 2049592662 BUVSUACOMVVNEJ-UHFFFAOYSA-N 271.738 4.777 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)C1CCC(CC)CC1 2053064118 ZXEZDXZXCVLEEW-VXLLPVPCSA-N 251.458 4.783 30 10 CJEE N#C[C@]1(C[C@H]2CCCC(F)(F)C2)CCCC12CC2 2053366670 SOHFWIIXWLGDJH-TZMCWYRMSA-N 253.336 4.676 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCC[C@@H]1C(C)C 2056446208 DPIOGCZQOFFILP-IKGGRYGDSA-N 251.458 4.783 30 10 CJEE C=CCCCC[C@@H](C[C@@H](C)C(F)(F)F)NCCC 2059116621 BDXJEUVHFSTUFE-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=C(F)C[C@@H](NCCC)c1cc(F)c(F)cc1Cl 2062213647 FXRBSALSFFFVBZ-CYBMUJFWSA-N 277.717 4.532 30 10 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C=CCCCCCCC[C@H](C(=O)O)c1cccc(F)c1 2235533620 CFBIABJQWGKLSG-INIZCTEOSA-N 278.367 4.911 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@@H](OC)C1CCCCC1 2235540082 SUOGAEZNIQZJDK-MSOLQXFVSA-N 281.484 4.826 30 10 CJEE CCCCCCCCCCCCCC(=O)C#CCOC 2235923999 ODBNERUKOQKGDP-UHFFFAOYSA-N 280.452 4.906 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 2238166760 PGCYEDVQMCSPCC-NVXWUHKLSA-N 270.420 4.769 30 10 CJEE N#Cc1ccc(OCCCCC2CC2)cc1C(F)(F)F 2239115188 UHFVSRIQLULWJT-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE CCCCCCCCCCCCO[C@@H](C(=O)O)C1CC1 2239493659 VJDKMHPCWGJGHE-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE CCCCCCCCCCOc1cncc([C@@H](C)N)c1 2239508432 VIHZTBANRSGWTH-OAHLLOKOSA-N 278.440 4.621 30 10 CJEE C=C[C@H](CCCCC)O[C@H](CC)[C@@H](O)c1ccccc1 2239579724 VRASLPMNDUREIV-KURKYZTESA-N 276.420 4.650 30 10 CJEE CCc1nc(Oc2cc(C)cc(Cl)c2)c(C#N)cc1C 2239796464 WDQNASPNNGYHCR-UHFFFAOYSA-N 286.762 4.578 30 10 CJEE C=CCN(c1ccc(CN[C@H](C)CC)c(Cl)c1)C(C)C 2240015896 CHPKQKCZKDOGKB-CQSZACIVSA-N 294.870 4.629 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](C[C@@H](C)C1CC1)NC 2240641771 FEYJREVMTGIUJS-NXHRZFHOSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](CCC=C(C)C)NC 2240643144 UOIFISWBPMFUTQ-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CC(C)CCC[C@H](C)CCB1OC(C)(C)C(C)(C)O1 2242074260 WXGKFNRKCUXMEK-AWEZNQCLSA-N 268.250 4.931 30 10 CJEE C=C(C)CCC(=O)c1cc(Cl)c(Cl)cc1C 2244387053 NFHWXMHEPMAJRZ-UHFFFAOYSA-N 257.160 4.841 30 10 CJEE C=C(C)CCCCOc1c(F)cccc1Br 2244650799 NMGIMUVHWKQVKE-UHFFFAOYSA-N 287.172 4.713 30 10 CJEE C[C@@H]1CCC[C@H]1[C@@H](C#N)c1ccc(Br)c(F)c1 2250027024 NTHYFIBNSDZUBX-JLLWLGSASA-N 296.183 4.632 30 10 CJEE C=C(C)CCCCNc1c(F)cc(F)cc1Cl 2250161778 QUWLEHQADBMFPH-UHFFFAOYSA-N 259.727 4.777 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1Cl 2251501179 JJUBAMQAFAPHOB-NSHDSACASA-N 288.243 4.638 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCSC1 2252956726 MWUKTTBOVJMQRC-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE CCCCCCC[C@H](N)[C@H]1CC[C@H](C(F)(F)F)C1 2253848828 DHERWZOJZRPONX-AVGNSLFASA-N 265.363 4.653 30 10 CJEE C=C(Cl)C(=O)CCCC12CC3CC(CC(C3)C1)C2 2253980086 AYEQONRGGGBLLJ-UHFFFAOYSA-N 266.812 4.695 30 10 CJEE CC(C)(C)[C@@H](CS)COCC[C@@H]1CCCC12CC2 2255275030 FKZCBDOTLWVNHN-UONOGXRCSA-N 270.482 4.566 30 10 CJEE C=C[C@@H](C)C[C@H](NC)c1cc(C)c2sccc2c1 2256903215 BUZQJNKFNHMSPO-ABAIWWIYSA-N 259.418 4.682 30 10 CJEE C=C[C@H](C)CC(=O)OCC[C@@H](C)CCC=C(C)C 2257416123 QGOWRQBOSULNHY-GJZGRUSLSA-N 252.398 4.514 30 10 CJEE C=CCCCCCCCSCc1ccc(F)nc1 2259051162 JSEQIIHQRUNTEW-UHFFFAOYSA-N 267.413 4.981 30 10 CJEE CCC(CC)(CS)CSC[C@H](CC(C)(C)C)OC 2259138919 QKGGSNWUYRXORV-ZDUSSCGKSA-N 292.554 4.907 30 10 CJEE CCCCCCCCNC[C@@H]1CC[C@H](C(F)(F)F)C1 2264922311 JPWTVHCXSFUNCH-KGLIPLIRSA-N 279.390 4.915 30 10 CJEE CCC[C@](C)(C=O)CCC12CC3CC(CC(C3)C1)C2 2265106639 CIDAVOSALVYTQO-LESVLKBLSA-N 262.437 4.988 30 10 CJEE C=C[C@@H](C)C[C@H](O)CCC12CC3CC(CC(C3)C1)C2 2265162867 ZKGIGXXSEIRATD-IXRCJPEJSA-N 262.437 4.556 30 10 CJEE CCC(CC)(CC)CNc1cc(C)c(C#N)c(C)c1 2265859350 VBEWNHNTXRYKGO-UHFFFAOYSA-N 258.409 4.803 30 10 CJEE Cc1ccc([C@@H](N)CC=CC#CC(C)(C)C)c(Cl)c1 2268753071 RZDJIQOIJBORRN-INIZCTEOSA-N 275.823 4.644 30 10 CJEE CCCCCCC[C@@](C)(N)c1nccc2sccc12 2268859311 NJPUYIGSYYWEPW-MRXNPFEDSA-N 276.449 4.831 30 10 CJEE C=CCC[C@@H](NC)c1cccc(-c2ccccc2)c1 2269825460 UIJQVFSYIAJBTC-GOSISDBHSA-N 251.373 4.580 30 10 CJEE Cc1cc2sccc2c(C(=O)C2=CC[C@@H](C)CC2)n1 2270625855 NURZRHLBBRYURV-SNVBAGLBSA-N 271.385 4.534 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1N[C@@H](C)[C@@H](C)CS1 2272260183 IOOBUKYGCWCYHU-KKUMJFAQSA-N 284.513 4.556 30 10 CJEE CC#CCCCCNc1cccc(C2CCCC2)c1 2273595747 RQONUMWKFIRPFZ-UHFFFAOYSA-N 255.405 4.950 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1sccc1CC 2273977699 QELRABIIVBTFNA-INIZCTEOSA-N 275.461 4.545 30 10 CJEE CCCC[C@H](CC)[C@@H](C#CC1CCCCC1)NCC 2274059055 HZDSMMLHHHPCCD-ZWKOTPCHSA-N 263.469 4.765 30 10 CJEE C=C(CC)C[C@](C)(CCCCCCC)OCCCN 2276330142 IFBGXNNJFYKUQN-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCC[C@@](C)(C[C@H](C)CC)OCCCN 2277121615 KJDJPWDOXQSHMQ-SJORKVTESA-N 271.489 4.907 30 10 CJEE CC[C@@](C)(CCC=C(C)C)Oc1c(F)cccc1C#N 2280430717 DSNORFPGSNNWEE-KRWDZBQOSA-N 275.367 4.991 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1C[C@@]1(C)COC)NC 2284646153 NFAVBCXPNYJGIV-KURKYZTESA-N 283.500 4.778 30 10 CJEE C=CCCCCCC[C@H](CCc1ccccc1)C(=O)O 2286756228 SLEYZIIWKVHLSC-QGZVFWFLSA-N 274.404 4.847 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@@H](O)C(CC)(CC)CC 2287390543 QPZPTOLKLMAQMO-DLBZAZTESA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@](C)(O)CC(C)(C)C 2287392168 KWHYCOFXOQPRKX-AEFFLSMTSA-N 283.500 4.678 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@H](F)CC[C@@H]1N 2287421578 QADZVDZKIGZIRF-IXDOHACOSA-N 287.463 4.752 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2287468691 XTZHZZMKRNQSFL-RRQVMCLOSA-N 275.480 4.783 30 10 CJEE CCC[C@@H](CC)CNc1ccc(C(F)(F)F)cc1C#N 2287678486 GSUQEPDUXGPEBO-LLVKDONJSA-N 284.325 4.815 30 10 CJEE CCN[C@H](C#CC1CCCCC1)C[C@H]1CCC12CCC2 2289782835 BBCNRHWYEBIOPM-QZTJIDSGSA-N 273.464 4.519 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1cccc(C)c1Cl 2289866160 MCMJKEBTTNEBHF-KRWDZBQOSA-N 289.850 4.883 30 10 CJEE C=CC1(CN(C)Cc2cccc(C(C)(C)C)c2)CCC1 2290211018 VBGICQNYZZUFOG-UHFFFAOYSA-N 271.448 4.772 30 10 CJEE CCCCCCC[C@]1(OCC(=O)O)CC[C@@H](C)[C@H](C)C1 2290917431 IHOPQIUYFLXIMP-INMHGKMJSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@](CC)(CCC(C)C)OCCC(=O)O 2291462930 IWQNUKNABLFMDY-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE C=CCCCC[C@@H](OCCC(=O)O)C1(C)CCCCC1 2292399184 ANIZDVBUCYWPES-OAHLLOKOSA-N 282.424 4.563 30 10 CJEE C=C1CC(CC2(OCCCN)CCCCCCCC2)C1 2293281566 VHOWVJMDMRXEQH-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=C(C1(OCCCN)CCCCCCCC1)[Si](C)(C)C 2293333580 IELBAQZBQKHLSG-UHFFFAOYSA-N 297.559 4.659 30 10 CJEE C=C(C(C)(C)C)C1(OCCCN)CC(CC(C)(C)C)C1 2293344587 FIDFZYJUWXKLPQ-UHFFFAOYSA-N 281.484 4.539 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@H]1[C@H]2CCC[C@H]21 2293539758 OFUOASGYNIPPNQ-MHORFTMASA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCN)C1=CCCCCC1 2293723323 WOWQDDJBVDDGLF-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@@H](CCC1(F)CCC1)OCCCN 2293734355 OLNCOZWGHPJDKT-INIZCTEOSA-N 287.463 4.753 30 10 CJEE CCCCCCC[C@@H](CC1=CCCCC1)OCCCN 2293797550 YPQVSKBAXBFGCD-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CCO[C@@H](C)C1 2295678579 ZPFQCQRCPNTNHC-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)CCC1(C)CC1 2295681744 JLXNWOCYQYGYII-WMZOPIPTSA-N 283.500 4.786 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1cscc1F 2304042129 TYTQVJJKEFQNBF-KGLIPLIRSA-N 255.402 4.530 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1c(Cl)ccc(Cl)c1F 2304057180 VTVGPEBOZNUGKJ-ISVAXAHUSA-N 276.182 4.605 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@H]1CC[C@@H]2C[C@H]12 2308621801 IHOBFTAENYDYNF-LTIDMASMSA-N 251.458 4.761 30 10 CJEE C=C(Cl)C[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2309182496 QZAGWWLDZDDERF-YHUYYLMFSA-N 269.860 4.714 30 10 CJEE C=CC[C@@H](C)SC[C@@H](N)c1ccc(C(C)C)cc1 2313527991 YTLFHUQZSUZPRK-CZUORRHYSA-N 263.450 4.508 30 10 CJEE C=CC[C@H](C)Sc1ccc(C[C@H](N)CC)c(Cl)c1 2313532593 WNXYSYWLMXIZCH-WCQYABFASA-N 283.868 4.677 30 10 CJEE C=CC1(C[C@H](O)c2c(F)ccc(C)c2Cl)CCC1 2313860336 YGKJCRPGMGCSPK-LBPRGKRZSA-N 268.759 4.567 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1cc(Cl)cs1 2316458798 PGWNBSMSUHKNQF-CYBMUJFWSA-N 295.860 4.555 30 10 CJEE C=CCC(CC=C)Nc1ccccc1SC1CC1 2316728248 DCBMRIHPCIEWAY-UHFFFAOYSA-N 259.418 4.874 30 10 CJEE C#CCCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2318360081 YLSXBVFDQQIEDR-CYBMUJFWSA-N 288.193 4.716 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@H](F)C1 2327218082 SNTZSCGHEDSUGB-WKILWMFISA-N 257.437 4.997 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CC[C@H]1SC 2328260357 XOWJNFNRWCOQPC-JKSUJKDBSA-N 271.514 4.953 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2334662213 XYYGBNKITIKOQM-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc(C)ccc1C 2335102277 AAJGSKBCEAZBGU-NVXWUHKLSA-N 277.477 4.652 30 10 CJEE C=CC[C@@H](C)Sc1nc(NCC)cc2ccccc12 2335103657 OTJMQLKOVUVNDB-GFCCVEGCSA-N 272.417 4.723 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H](C)SC 2335901858 JJNQEFIUINYCDF-CVEARBPZSA-N 288.545 4.881 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1ccncc1Cl 2338743943 KHBAOJJPMXVDCG-INIZCTEOSA-N 278.827 4.544 30 10 CJEE C=CCC(CC=C)[C@H]1CCCC(F)(F)[C@@H]1NCCC 2338745192 UOHJROXCGQXOKM-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C1CC2(CCCC2)C1 2338749253 IDECCMBHMMRBGN-QGZVFWFLSA-N 261.453 4.703 30 10 CJEE C#Cc1ccccc1NCCCCCCCC1CC1 2339922925 LNRREVCXTLVRLP-UHFFFAOYSA-N 255.405 4.830 30 10 CJEE CC1(C)C[C@](C#N)(CCCC2=CCCCC2)CCO1 2341042545 NXDBTWJSBPBPSU-KRWDZBQOSA-N 261.409 4.756 30 10 CJEE C=C1CC(CC[C@@H]2CC[C@H]2C2CC2)(CNCCC)C1 2342556835 UIZXINSXHOSCLQ-IRXDYDNUSA-N 261.453 4.539 30 10 CJEE CCCC#C[C@@H](NCCC)c1cccc(C(C)C)c1 2343616581 VEXNJJZFOJFWOQ-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)c(Cl)cc1OC 2344344383 RZIOCYJTKIGLEZ-HOTGVXAUSA-N 281.827 4.649 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@@H]1CC[C@H]1C(F)(F)F)NC 2344356180 LGOQLDUCSNLSOD-CRWXNKLISA-N 277.374 4.545 30 10 CJEE C=CCC(C)(C)[C@H](CC1CCC(F)CC1)NCCC 2344372679 URHINTAYTOPGKP-GPANFISMSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1csc(C2CC2)n1 2344386001 SXCLYMJJCQNGMZ-ZBFHGGJFSA-N 278.465 4.664 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1ccc2ccccc2c1C 2344395434 JCRIKLGUVQRRKR-SCLBCKFNSA-N 253.389 4.621 30 10 CJEE C=CC[C@@](C)(CC)C(=O)CCCCC1CCOCC1 2344395834 KOPYRODKGXHXDW-QGZVFWFLSA-N 266.425 4.535 30 10 CJEE C=CCCC[C@H](NCCC)C12CC(CC(F)F)(C1)C2 2344864679 XIOSZPMYKJWBOE-JEYLPNPQSA-N 271.395 4.536 30 10 CJEE N#C[C@H](C(=O)[C@H]1C[C@@H]2CCCCCC[C@@H]21)c1ccsc1 2354878749 BOLIETMJXNGUPT-TUUVXOQKSA-N 287.428 4.531 30 10 CJEE C=C([C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21)C(F)(F)F 2354888296 BFVFCROMFZTYCQ-BYNSBNAKSA-N 289.385 4.690 30 10 CJEE CCCCCCCC[C@@H](C)C[C@@H](C)C(=O)NCC 3033012 JQVPIQYJMCCSHY-HUUCEWRRSA-N 255.446 4.535 30 10 CJEE Cc1cc(Cl)ccc1Nc1c(C#N)cnc2ccccc12 36913284 DBZBCKZWEWUOQE-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 37069513 JTOIFOJNISGIKF-IAGOWNOFSA-N 286.419 4.606 30 10 CJEE Cc1cc(C)c(CNc2cc(C#N)cc(F)c2C)cc1C 37305233 DLJFMTOICWSGLM-UHFFFAOYSA-N 282.362 4.543 30 10 CJEE C=C(C)COc1c([C@H](C)NC(C)C)ccc2ccccc12 37710477 NYAPUQIXHAAIAL-HNNXBMFYSA-N 283.415 4.854 30 10 CJEE CSc1ccc([C@H](C)Nc2cc(C#N)ccc2C)cc1 50429528 CTMQFGHIRKCLPX-ZDUSSCGKSA-N 282.412 4.762 30 10 CJEE Cc1ccc([C@H](C#N)C(=O)CCC2CCCCC2)cc1 55333095 AXCSYCCNIOECGD-KRWDZBQOSA-N 269.388 4.532 30 10 CJEE CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(Cl)n1 83202974 ZKMXRJPRFYJWHU-UHFFFAOYSA-N 270.763 4.571 30 10 CJEE CCCC[C@H](CC)CNc1cc(Cl)ccc1C#N 86114770 PBNAVNFIPSCOKE-LBPRGKRZSA-N 264.800 4.840 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86882409 XBSWJEQKFBIKPO-AAEUAGOBSA-N 262.784 4.592 30 10 CJEE CCC(CC)(CS)CSc1cccc(C)c1 87098502 WSFXHBRTWAWLGO-UHFFFAOYSA-N 254.464 4.823 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(F)c2F)C1 87972293 KZQDDLBKYWKXBB-LRDDRELGSA-N 263.331 4.617 30 10 CJEE CCC(C)(C)C1CCC(O)([C@@]2(C#N)CC[C@@H](C)C2)CC1 91875969 KXSPOUBQHMNMIW-JOKDJRIQSA-N 277.452 4.674 30 10 CJEE CN(CC1(CS)CCCCC1)C1CCC(C)(C)CC1 94862533 VRBMNQUROGZLBW-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CCCc2sccc21 97219703 KMNBRROKAMVLRA-ZBFHGGJFSA-N 277.477 4.893 30 10 CJEE COc1ccc(COCCCCCCCCCS)cc1 97799750 GFQCGINFRKURHT-UHFFFAOYSA-N 296.476 4.872 30 10 CJEE CCCCCCCCCCn1cc(Br)cn1 109308507 NMGSKPZFBRJHMS-UHFFFAOYSA-N 287.245 4.786 30 10 CJEE CCCCCCCC[C@@](C)(N)c1cccc(OC)c1 109706238 LRJZPSKTPWBIPV-QGZVFWFLSA-N 263.425 4.620 30 10 CJEE CC1(C)[C@H]2CC[C@]1(C)[C@H](Nc1ccc(C#N)c(Cl)c1)C2 109772268 MVRXGVSWLPPBAO-XGWLTEMNSA-N 288.822 4.838 30 10 CJEE CCCCCCC[C@H](CN)Cc1ccc(Cl)cc1 110180831 NAPSDVAKNPTSED-HNNXBMFYSA-N 267.844 4.818 30 10 CJEE Cc1cccc(Oc2ccc(C#N)c(Cl)c2)c1C 110260677 MVHHVSQYZIXKLG-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE C[C@H]1C[C@H](Oc2cc(Cl)ccc2C#N)CC(C)(C)C1 110261830 DCUFIOYSLTUCJK-FZMZJTMJSA-N 277.795 4.805 30 10 CJEE CCCCCCC[C@@H](Cc1ccsc1)NCC 110329659 HRUCYFPKCBZGGT-HNNXBMFYSA-N 253.455 4.629 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)CCCO2 115857011 MVQHKABBGJNAGH-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCCCCCCC(=O)N1CCC[C@@H](C#N)C1 115857568 JTOJJAZRMZDORH-KRWDZBQOSA-N 292.467 4.669 30 10 CJEE CCCCCCC[C@]1(C)C[C@H](O)c2cc(OC)ccc2O1 121976958 GSMVEPQSDDFMNC-FUHWJXTLSA-N 292.419 4.630 30 10 CJEE CCCCCCC[C@]1(C)C[C@@H](O)c2cc(OC)ccc2O1 121989125 GSMVEPQSDDFMNC-SJLPKXTDSA-N 292.419 4.630 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc2c(s1)CCC2 122215684 KFQOYFWIIKIJSZ-HNNXBMFYSA-N 294.508 4.882 30 10 CJEE C#CCCC[C@@H](NCC)C1CCC(CCCC)CC1 122829473 WTLKXWCHNDGYLU-DAWZGUTISA-N 263.469 4.765 30 10 CJEE CCCCCCCCCCCC[C@@]1(F)CCNC1 126758057 HJNQUXOOTCTLMZ-MRXNPFEDSA-N 257.437 4.999 30 10 CJEE Cc1cc(Oc2ccc(N)c(CC#N)c2)ccc1C(C)C 127584585 OHPRPTYOEQYILK-UHFFFAOYSA-N 280.371 4.559 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@](C)(CC)OCC 130966769 RWILIOUYQHRZDD-IRXDYDNUSA-N 286.504 4.554 30 10 CJEE CCSc1cccc(Sc2cccc(O)c2)c1C#N 131043937 ZAARLAXRNINTCP-UHFFFAOYSA-N 287.409 4.527 30 10 CJEE CCCCCCCCCCOc1ccc(CN)c(F)c1 133342475 BVUNANPMTJWVEW-UHFFFAOYSA-N 281.415 4.804 30 10 CJEE CCCCCCCSc1ccc(F)c(C(=O)O)c1 136235191 XUJZDLILGFTIEC-UHFFFAOYSA-N 270.369 4.586 30 10 CJEE CCCCCCCC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 137866438 OPSIFBKCHOLSKL-UHFFFAOYSA-N 291.420 4.524 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@@H]1CCSC1 140349497 VKJRDJNQMDJZSR-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE CCCCCCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 159157885 PQTQVBKMAQITTF-AWEZNQCLSA-N 278.396 4.606 30 10 CJEE C=CCSc1ccccc1N[C@H]1CCC[C@@H]1CC 164024508 ONXPPHSGQMUQPY-KBPBESRZSA-N 261.434 4.955 30 10 CJEE CCCCCCCCC[C@@H](NC)c1ccc(C)nc1 164780433 LMVZMJDCRNCFPO-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE Cc1ccc(C)c(/N=C(/c2ccccc2)c2ccccn2)c1 195782224 DWKSSITXQDZFJX-XDOYNYLZSA-N 286.378 4.868 30 10 CJEE CCCCCCCCCOc1ccccc1C(=O)OC 210704339 IXHBFBZNPMPHJM-UHFFFAOYSA-N 278.392 4.603 30 10 CJEE CCCCCCCCCNN1[C@@H](C)CCC[C@@H]1C 214878817 KQORCROSWAECBH-HOTGVXAUSA-N 254.462 4.505 30 10 CJEE CCC1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 226060208 OBNXWSCFSGLDAO-UHFFFAOYSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCN1CC[C@@H](NCCC)[C@@H](CC)C1 229723603 HRAPCYDMEHRFEQ-RBUKOAKNSA-N 296.543 4.837 30 10 CJEE C=C(CC)C[C@H](NCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232365846 MXVJEKFORUDWGT-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CC(C)(C#N)CCCCNc1cccc2c1CCCC2 232515661 IYRRUVRFAMDEOV-UHFFFAOYSA-N 270.420 4.697 30 10 CJEE CCCCCCCCCCNc1c(C)n[nH]c1C 232918259 VLEZHEHPXBSGMY-UHFFFAOYSA-N 251.418 4.579 30 10 CJEE SCC1(COCC2CCCCCC2)CCCCC1 302484947 ZBKHCOWHYICZOU-UHFFFAOYSA-N 270.482 4.854 30 10 CJEE CCCCCCC[C@H](NCC)c1ccc2c(c1)OCC2 308494566 UQQCFVAXCYSROD-KRWDZBQOSA-N 275.436 4.633 30 10 CJEE N#Cc1ccc(Oc2ccc(Cl)cc2F)c(Cl)c1 310745334 GDNITMAZEOSIMJ-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CC1 311897568 ZQSYQDMDFNFDAX-LBPRGKRZSA-N 296.197 4.750 30 10 CJEE C=C(CC)CN[C@H](C)c1ccc(-c2ccccc2)cc1 313487963 YUHYGDHFOVLKSX-MRXNPFEDSA-N 265.400 4.970 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@@H](C)C2CCCCC2)C1 317668369 FJIZOCVMSRYYHF-INMHGKMJSA-N 250.426 4.988 30 10 CJEE C=CCOCCC1(CNC(C)(C)C)CCCCCCC1 318190499 YVEOBVPNUQWWJO-UHFFFAOYSA-N 281.484 4.698 30 10 CJEE CCC1CCC(C(=O)[C@@H](C#N)c2ccccc2Cl)CC1 328175573 APJQVTPWFMOMBH-PIMMBPRGSA-N 289.806 4.733 30 10 CJEE CC[C@H]1[C@H](C)CCN1CCCCCCCCCS 384304549 AAILJRRKVJWWEI-CVEARBPZSA-N 271.514 4.767 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(C)s1 385138950 WIBFXRZHRWITCF-CQSZACIVSA-N 263.450 4.537 30 10 CJEE CCCCCCCCNC[C@@H](C)COCc1ccccc1 389925968 CXHCAHKYQHDRHV-GOSISDBHSA-N 291.479 4.789 30 10 CJEE C=CC[C@H](CC)N[C@H](c1ccc(Cl)cc1)C1CC1 393759358 ZETVDPJOFSZOQQ-HOTGVXAUSA-N 263.812 4.735 30 10 CJEE CCCCCCCCOCCC(CC)(CC)CNC 395657768 VJIFVVZLXOTHJL-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CC(C)[C@H](C#N)CSc1ccc2ccccc2c1 397546006 FRGIWPFPHALRGH-OAHLLOKOSA-N 255.386 4.728 30 10 CJEE CCCCCCCC(=O)[C@](C)(CC)NC(=O)OC(C)(C)C 405831295 MUNOIDPHQFGHEQ-KRWDZBQOSA-N 299.455 4.609 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H](CC)CCCC 686687248 ZAGBCRDSAYFOCX-DLBZAZTESA-N 251.458 4.765 30 10 CJEE CC(C)(CC/N=C1/NC2(CCCCC2)CCS1)C1CC1 687320182 VZJCZORHKKIOML-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCCCC[C@H]2C(C)C)C1 691124089 ZVYCGXSVWSHJSS-VSZNYVQBSA-N 277.452 4.674 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(C)c(C)cc1C 692212723 BFRLJTDMPYWHLC-PKOBYXMFSA-N 271.448 4.836 30 10 CJEE N#CC1(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 693066036 PNJWTGRVYYPGSZ-UHFFFAOYSA-N 293.210 4.570 30 10 CJEE C#CCCC[C@H](NCCC)[C@@]1(C)CC[C@H](C)C1(C)C 699023897 MEJRWSPJNCRGBI-XYJFISCASA-N 263.469 4.621 30 10 CJEE CCCCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 703761991 RKDMWPDVGABGHP-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCC[C@@](C)(N)[C@H]1CC2CCC1CC2 704510073 VGZZSTSFAWAJEX-SJJHQCBESA-N 251.458 4.891 30 10 CJEE CCCCCCCCN[C@H](C)[C@]12CCCC[C@@H]1C2 709166117 OBVAHINZMQXPDA-BRWVUGGUSA-N 251.458 4.905 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccccc1Cl 709512023 IEONFMLLNKIERZ-QGZVFWFLSA-N 297.870 4.978 30 10 CJEE CCCCCCC[C@]1(C)[C@@H](NCC)CCN1[C@H](C)CC 712154861 UNTYXUPIPZBQMV-FGTMMUONSA-N 282.516 4.588 30 10 CJEE C=CC[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712601858 UBKRUGPACUNRSQ-GFCCVEGCSA-N 277.717 4.586 30 10 CJEE C=C([C@H](NCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(F)(F)F 714435874 GASZQXHDLDKPCE-BARDWOONSA-N 289.385 4.690 30 10 CJEE C=CC[C@H](C)[C@H](O)Cc1c(C)cc(C(C)(C)C)cc1C 715010571 OZKDNKYDHUQQDZ-SCLBCKFNSA-N 274.448 4.717 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(F)c(C(F)(F)F)c1 715704964 LBRZFCKYYVOFOH-HZMBPMFUSA-N 289.316 4.707 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccccc1C(F)(F)F 715705834 OYZNSMSEBAJMAG-SWLSCSKDSA-N 285.353 4.958 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)C1CCC(CCCC)CC1 715753123 BQCWZPARBSMDOU-RDHHWEPZSA-N 251.458 4.783 30 10 CJEE C=C1CCC(CSc2cccc(CNC3CC3)c2)CC1 724560462 WOYRFLABNQZMQJ-UHFFFAOYSA-N 287.472 4.777 30 10 CJEE C=CC[C@@H](OC(=O)C[C@H]1CCC(F)(F)C1)c1ccccc1 797960741 BDPVSMVRPWLQFB-UKRRQHHQSA-N 294.341 4.673 30 10 CJEE CC(=O)c1cccc(N=Cc2ccc3ccccc3c2)c1 1084589186 WUFSDWQNEPLMSD-UHFFFAOYSA-N 273.335 4.793 30 10 CJEE C=CCN(C)Cc1cccc(-c2ccc(Cl)cc2)c1 1181055164 KMXGMNJIHNRKQX-UHFFFAOYSA-N 271.791 4.625 30 10 CJEE C=CCCCCCN(Cc1cccc(F)c1)C1CCC1 1197960877 YYWVMUPZPGOFJP-UHFFFAOYSA-N 275.411 4.927 30 10 CJEE C=CC[C@H]1CCN1C(=O)Nc1ccc(C(C)(C)CC)cc1 1204678390 KHVSNVLEFLEYTB-INIZCTEOSA-N 286.419 4.557 30 10 CJEE C=CCN(Cc1nc(C(C)(C)C)cs1)c1ccccc1 1205441990 FXRWUTFEHIPRQH-UHFFFAOYSA-N 286.444 4.633 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H]2CCC=CCCC2)CCCC1(C)C 1270803060 VHVWYFCHLWWTNA-DLBZAZTESA-N 289.463 4.716 30 10 CJEE C=C[C@@H](OC(=O)C1CCC(C)(C)CC1)c1ccccc1 1279067749 ANOUOVZRIYWOFA-MRXNPFEDSA-N 272.388 4.673 30 10 CJEE C=C[C@H](OC(=O)CC(C)(C)c1ccccc1)c1ccccc1 1279069069 GSEYZGPXQJXAAG-SFHVURJKSA-N 294.394 4.825 30 10 CJEE C=C1CCC(C(=O)N(CC)c2cccc3ccccc23)CC1 1352071249 ZYSJJTBMCWMPKP-UHFFFAOYSA-N 293.410 4.939 30 10 CJEE C=C[C@@H](CC)CC(=O)N(C)C1CCC(C(C)(C)C)CC1 1352866404 CDZCKTUSRWNRRR-FHERZECASA-N 279.468 4.652 30 10 CJEE C=CCC1(CNC(=O)c2ccc(CC)c(CC)c2)CCCC1 1436234283 JJPPGAFDHIWRMY-UHFFFAOYSA-N 299.458 4.678 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12 1450642459 AXYRBYXWZJKIPL-AWEZNQCLSA-N 299.389 4.758 30 10 CJEE C=CC(C)(C)C(=O)N(Cc1ccc(C)cc1C)CC(C)C 1461098847 DZDKDVJLIRGBBI-UHFFFAOYSA-N 287.447 4.500 30 10 CJEE C=CC[C@H](CC)NCc1cc(C(F)(F)F)ccc1Cl 1461463974 ONHRXAGSTAMREQ-LBPRGKRZSA-N 291.744 4.803 30 10 CJEE C#Cc1cccc(NCc2ccc(C3CCC3)cc2)c1 1474085957 KTZSIXGFIRLSRY-UHFFFAOYSA-N 261.368 4.548 30 10 CJEE C=CCC1(CNC(=O)CC2(C=C)CCCCC2)CCCC1 1521323768 OOXZUWYPRULOGU-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=CCN(C(=O)c1coc2c(C)cccc12)c1ccccc1 1524507703 BMWPCIOZJDYEEX-UHFFFAOYSA-N 291.350 4.574 30 10 CJEE C=CCC1(C(=O)N[C@@H](C)C2CCCCC2)CCCCC1 1529665817 IUFQKSMUNRSQMO-HNNXBMFYSA-N 277.452 4.598 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)CCC1 1537975545 SPDLFHZVFPKARR-SFHVURJKSA-N 297.442 4.660 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1538727252 IEXLMLRSDWSTEK-WQZSLNGPSA-N 289.463 4.572 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(CCCC)CC2)c1 1539558435 UDYLKDAWECGKHJ-UHFFFAOYSA-N 257.377 4.629 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H]1c1cccc(C)c1C 1544289078 ICMMEWFGMNDCAH-KRWDZBQOSA-N 285.431 4.569 30 10 CJEE C=CCCCCCCNC1CCc2ccccc2CC1 1560468385 XJFSSRUSSPLZEA-UHFFFAOYSA-N 271.448 4.660 30 10 CJEE C=CC(C)(C)CN[C@H]1CCC[C@H]1CCCCCC 1560836531 ARZDEXVVPPZPPN-CVEARBPZSA-N 251.458 4.927 30 10 CJEE C=CCC1(NC(=O)C[C@@H](C)CCCCCC)CCCC1 1587441802 PRGHKLIFKRGMLX-INIZCTEOSA-N 279.468 4.988 30 10 CJEE C=CCCC[C@@H](NC(=O)Cc1cccs1)c1ccccc1 1596613117 OMHQXWKSSNBWMQ-QGZVFWFLSA-N 299.439 4.504 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 1617863192 CGAYWKDGLPZHCL-KRWDZBQOSA-N 299.458 4.631 30 10 CJEE C=CCC1(CN[C@H]2C[C@H](OCCCC)C2(C)C)CCCC1 1621334200 GUDOUXYGCYYPCG-IRXDYDNUSA-N 293.495 4.696 30 10 CJEE C=CCCC[C@H](NC(=O)CCC(C)C)c1ccccc1 1625196562 DZXCZDQKYPLUPW-KRWDZBQOSA-N 273.420 4.636 30 10 CJEE C#CCCCCCCN[C@H](C)c1ccc(OC(F)F)cc1 1653082362 SYRCTKFXIAQQGX-CQSZACIVSA-N 295.373 4.522 30 10 CJEE C=C(C)c1cccc(NCc2ccc(F)cc2F)c1 1657093461 DYYFHSXQZYXENH-UHFFFAOYSA-N 259.299 4.610 30 10 CJEE C=CCCCCN1CCC[C@@H]1c1nc2ccccc2n1CC 1657506243 RSVPPLYNRMDKAF-GOSISDBHSA-N 297.446 4.549 30 10 CJEE C=CC[C@H]1CCN(C/C=C\c2c(C)cc(C)cc2C)C1 1659734103 QQTNPDOXQDTGFD-POZKEBTKSA-N 269.432 4.523 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc(F)c(Br)c2)C1 1661962567 CISGNROSAOTAPN-MNOVXSKESA-N 298.199 4.745 30 10 CJEE C=C(C)c1cccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 1681062616 HEMUERJASSYMKA-PBHICJAKSA-N 286.419 4.762 30 10 CJEE C=CCC(C)(C)CNC(=O)N(CCC(C)C)CCC(C)C 1686594635 KFWPYCDSZXIZKO-UHFFFAOYSA-N 296.499 4.693 30 10 CJEE CC#CCCCC[C@@H](NCC)c1cc(Cl)ccc1F 1885236448 KOJQNIIMEKBPJQ-MRXNPFEDSA-N 281.802 4.713 30 10 CJEE C#CC[C@H](COc1ccccc1[C@H](C)CC)C1CC1 1887073399 JSFBFVYVLJCNKC-GDBMZVCRSA-N 256.389 4.628 30 10 CJEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(C(C)C)cc1 1887440439 HPSFXCDAUOEVMM-QAPCUYQASA-N 257.421 4.510 30 10 CJEE CCCCCCCN(C)[C@@H](CC)c1cccc(O)c1 1890052527 FYXPTCRKLUYBIF-KRWDZBQOSA-N 263.425 4.746 30 10 CJEE C=CCCCCCC[C@@H](O)CCCOCc1ccccc1 1906517964 MENJYRYIGBPSLD-LJQANCHMSA-N 290.447 4.871 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CC[C@@H]1CC[C@](C#N)(Cc2c(C)cc(C)cc2C)C1 87996808 CPCJQOLQATUTMM-SJLPKXTDSA-N 255.405 4.874 30 10 CJEE C[C@H]1CCC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 89606377 BJKRGHQPQULOTO-AAEUAGOBSA-N 296.336 4.815 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CNC(C)C 91469793 PRJQSDQECGLIGQ-QGZVFWFLSA-N 271.489 4.656 30 10 CJEE CC[C@H](C)N(CC)CCCCCCCCCS 97799202 CTBNRESGLFGDQL-HNNXBMFYSA-N 259.503 4.767 30 10 CJEE CCCCCCCCn1[nH]c(=S)sc1=S 103014173 PCUBWJLMOQYUNE-UHFFFAOYSA-N 262.469 4.697 30 10 CJEE CCCCCCCCCN1CCNc2cc(C)ccc21 106595483 OAUQKYCKMNTFFX-UHFFFAOYSA-N 274.452 4.978 30 10 CJEE CCCCCCCCCCCCO[C@H]1CCCNC1 109652684 YYSLZXKMZAOPDG-KRWDZBQOSA-N 269.473 4.676 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](CNC)C1 109687811 ZQDCFQDXPJUOPZ-IBGZPJMESA-N 296.543 4.839 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CNC(C)C 111610531 PAXXGIVIDNLZHL-LJQANCHMSA-N 296.543 4.980 30 10 CJEE CCCCCCC[C@H](NCC)[C@H]1COc2ccccc2C1 115845905 XUSUDUGUJKOTNX-MSOLQXFVSA-N 289.463 4.576 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)CNC1CC1 116659885 AJTODUGYWOWMJP-SFHVURJKSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@H](NCC)c1c(Cl)cnn1CCC 127505883 NCFMIUTUJGZGDT-HNNXBMFYSA-N 299.890 4.958 30 10 CJEE CCSc1cccc(Oc2ccc(CC#N)cc2)c1C#N 136703410 GWFXDDKMGQMJJY-UHFFFAOYSA-N 294.379 4.529 30 10 CJEE CCCCCCCCC[C@H](O)c1cn(C)nc1C(C)(C)C 158542669 QJZGCQZJMDAYQT-INIZCTEOSA-N 294.483 4.892 30 10 CJEE CCCCCCCCn1c(S)nc2ccc(C)cc21 161087434 RJOSREVYZVHNFH-UHFFFAOYSA-N 276.449 4.994 30 10 CJEE Cc1c(F)cccc1Nc1ccc(C(F)(F)F)c(C#N)c1 164449835 MMAYESWINVEGMO-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE C=CCCC[C@H](NCCC)c1cc(Cl)ccc1OC 167734672 DNXYPYUVXZETLZ-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CCCCCCCC[C@H](O)Cc1cc(C)ccc1OC 167895670 MEFOUISSNOCMCF-KRWDZBQOSA-N 278.436 4.658 30 10 CJEE CC(C)[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C#N 214505554 BBTNQJPIAYENGY-CABCVRRESA-N 276.811 4.838 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)CC(C)(C)C)C1 222803463 SNTVCJIQWYEVOI-OAGGEKHMSA-N 278.484 4.709 30 10 CJEE CCCCCCC[C@@H](N)c1ccc(OC)c(Cl)c1OC 224583820 XDRYJMRWAZXKMQ-CYBMUJFWSA-N 299.842 4.718 30 10 CJEE CCCCCCCCCC(=O)Nc1nc(C)cc(Cl)n1 232937220 JDPKAMXXBFLYES-UHFFFAOYSA-N 297.830 4.518 30 10 CJEE CCCCCCNc1ccc(C#N)c2ccccc12 232944280 XJZABRYQPSYDCB-UHFFFAOYSA-N 252.361 4.704 30 10 CJEE CCCN[C@](C#N)(CC)CCCSc1ccc(C)cc1 233191911 UKSVZPUPXYIPLY-QGZVFWFLSA-N 290.476 4.539 30 10 CJEE C=CCCCCC[C@H](NC)c1cc(F)c(F)c(F)c1 234436411 IHNPUALYHUAQNE-AWEZNQCLSA-N 271.326 4.501 30 10 CJEE C=CCCCCCC(=O)c1c(F)cccc1Cl 236260023 UPTCHWSXYDLIFY-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Br)s1 236549693 SLPIYEKELSQLGB-SNVBAGLBSA-N 289.238 4.681 30 10 CJEE C=CCNc1cc(C)nc(Nc2c(C)cccc2C(C)C)n1 243218587 KJIWCKLIIVMUIO-UHFFFAOYSA-N 296.418 4.558 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1CCCC[C@@H]1N 311835186 PQPCPFPCDDCYKY-WBVHZDCISA-N 267.457 4.604 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc2ccccc2n1 312267415 HYVAWKRMHOSDSX-GOEBONIOSA-N 282.412 4.799 30 10 CJEE C=C(CN[C@H](C)[C@H]1CC2CCC1CC2)c1ccccc1 381817322 DXVYFZIEDTYHAH-JVGQSUMCSA-N 269.432 4.504 30 10 CJEE N#C[C@]1([C@@H]2C=CCCCCC2)CCCc2ccccc21 381864046 YDNVMHUOYCGIJK-MJGOQNOKSA-N 265.400 4.921 30 10 CJEE C=CCCCCCCNc1ccc(Br)cc1N 383714444 XKSIQSSNDXPBKH-UHFFFAOYSA-N 297.240 4.580 30 10 CJEE CCCC1CCC(C#N)(COC(CC)CC)CC1 385478977 FJBZQSVCBQMYCK-UHFFFAOYSA-N 251.414 4.692 30 10 CJEE CC#CCC[C@H](NCCC)c1cccc2ccsc12 386200908 RPEAHENHNNRVTA-INIZCTEOSA-N 271.429 4.746 30 10 CJEE C=C(C)CCNCc1cc(-c2cccs2)cs1 386867943 KIWXJPSVULHDDP-UHFFFAOYSA-N 263.431 4.532 30 10 CJEE CCCCCCCCC(=O)c1cc(CC)ccc1N 394045241 ISLHMBMJPIJNGD-UHFFFAOYSA-N 261.409 4.765 30 10 CJEE Cc1c(C2=CC(=O)CCCC2)ccc2ccccc12 395014994 NFKXXUQCZRMRRT-UHFFFAOYSA-N 250.341 4.675 30 10 CJEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(SC)cc1 398190099 RDNURSYRSBADPM-KBPBESRZSA-N 263.450 4.804 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccns1 401128517 OVMZUXRFGMZMMY-ZDUSSCGKSA-N 254.443 4.544 30 10 CJEE C/C(Nc1cccc2ccccc12)=C1\C(=O)C[C@@H]2[C@@H]1C2(C)C 504463640 XFVXJCUKDGDYGB-IBOAZWAKSA-N 291.394 4.771 30 10 CJEE CC(C)[C@H]1CCCCC[C@@]1(C#N)Nc1cccc(F)c1 691088884 LGABRGNWYMYNIZ-SJORKVTESA-N 274.383 4.736 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2cc(F)ccc21 692191727 UACGBYCGHNQWOX-RISCZKNCSA-N 290.407 4.772 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1Cl 692206882 YRMSEBSPXGFMCZ-WBMJQRKESA-N 281.802 4.704 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1F 692207099 ZWWOGMKDRJNPCK-BLLLJJGKSA-N 281.802 4.704 30 10 CJEE C=C(C)[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695094553 KNZUBSVVOWTWPY-ZDUSSCGKSA-N 291.744 4.976 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)CC(C)(C)CC 696219914 QQEVNVJKILPSTG-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE CC1(C)CC(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)C1 701486835 XGLVGPNLYQPJTI-JTQLQIEISA-N 296.197 4.606 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1cc(F)ccc1F 703995670 LHPBGAFHYNBVDV-GFCCVEGCSA-N 267.363 4.608 30 10 CJEE CCCCCCCCC[C@H](N)CC(C)(C)COC 712639886 RYWZXCUQPAYYHO-HNNXBMFYSA-N 257.462 4.517 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC(C)(C)CC[C@H]1C 713077295 IQMOAJCJBFUDOJ-PBHICJAKSA-N 256.393 4.516 30 10 CJEE CCCCCCCCCCCCN[C@H]1C[C@@H](COC)C1 714484665 RBAXQPNSBSWDST-HDICACEKSA-N 283.500 4.922 30 10 CJEE C[C@H]1CC=C(C(=O)c2ccc(F)c3ccccc23)CC1 714894623 PONXNHYSCFSHIT-LBPRGKRZSA-N 268.331 4.908 30 10 CJEE C=CC[C@H](C)[C@H](N)c1cc(C(F)(F)F)ccc1Cl 715730191 ANLVTZDKNRKTAL-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE C=C1CCC(C[C@]2(CNC)CCC[C@H](CC)C2)CC1 724559458 MGYCJPXGYIXIJR-WMZOPIPTSA-N 263.469 4.929 30 10 CJEE C=C1CCC(C[C@H](NC)c2c(C)cccc2C)CC1 724601816 FZXDTDNLENUFOT-KRWDZBQOSA-N 257.421 4.700 30 10 CJEE CCC(CC)(CC)C/N=C1/N[C@H](C2CCCC2)CCS1 725106159 SPQOSHUYLVKCSC-HNNXBMFYSA-N 296.524 4.844 30 10 CJEE C=CCCC(=O)O[C@H](C)c1ccccc1-c1ccccc1 733686989 QWQXCLDTUKXOPY-OAHLLOKOSA-N 280.367 4.924 30 10 CJEE C=C[C@H](OC(=O)c1ccc(C)c2c1CCC2)c1ccccc1 1130934733 UQKHGRKWELMKOD-IBGZPJMESA-N 292.378 4.568 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1CCCCCC1 1131105116 BQCABGAGDQPYFQ-IRXDYDNUSA-N 277.452 4.598 30 10 CJEE C=CC[C@H](C)N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C 1170582206 NFNOOFJBEZSADM-YOEHRIQHSA-N 279.855 4.851 30 10 CJEE C=CCN(Cc1cc(C)sc1C)CC1CCCCC1 1190985909 USZRTXOYDIKPIM-UHFFFAOYSA-N 277.477 4.933 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCC[C@@H]1Cc1ccccc1 1205981015 VMRKGENZIXIQCT-MSOLQXFVSA-N 271.448 4.590 30 10 CJEE C=CCCCCCCCCNC(=O)NC12CCC(CC1)C2 1229460811 SMBYSUKDCFXOIR-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1nc(C2CCCCC2)cs1 1287794293 DWFCYWUMRDGBOX-UHFFFAOYSA-N 292.448 4.732 30 10 CJEE C=CC(C)(C)CCCNCc1cc2cc(Cl)cnc2o1 1308509459 ADNAGIOROVBVRM-UHFFFAOYSA-N 292.810 4.563 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc2c(c1)[C@H](O)CCCC2 1308855113 NORXIXKQFPVDLW-VQIMIIECSA-N 287.447 4.993 30 10 CJEE C=CCC1(C(=O)Nc2ccccc2SC)CCCCC1 1352245622 AQZKWTQUKITYDF-UHFFFAOYSA-N 289.444 4.874 30 10 CJEE C=CC1(CC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)CCCCC1 1435087605 KZUZLADHVQSWSR-SJORKVTESA-N 291.479 4.844 30 10 CJEE C=CC[C@H](C(=O)N[C@H](C)CCC(C)(C)C)c1ccccc1 1456559058 SYGSLWKFISKIQB-WBVHZDCISA-N 287.447 4.677 30 10 CJEE C=CCC[C@H]1CCCN1CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1460885262 CMQVOYFWMQEEAA-MLHJIOFPSA-N 263.469 4.879 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cccc2c1ccn2C(F)F 1461493539 MPOGUJLQYHZIOH-LLVKDONJSA-N 292.329 4.577 30 10 CJEE C=C(C)c1cccc(NCc2ccc(-n3cccn3)cc2)c1 1474291576 SUEMVTCYDOLUNH-UHFFFAOYSA-N 289.382 4.518 30 10 CJEE C=CCCCCC[C@H](C)NC[C@H](C)CC(F)(F)F 1474584635 FAMQIUKXXAYSIY-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1ccc(C2CCCCC2)cc1 1530961821 PPFMAPVUYBGGDX-IBGZPJMESA-N 297.442 4.915 30 10 CJEE C=CCCC[C@H](C(=O)NC1C(C)(C)C1(C)C)c1ccccc1 1543611859 ORVIKMCAAZOKEH-INIZCTEOSA-N 299.458 4.677 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@H](c2ccc(CC)cc2)C1 1544231239 RQOYXUNXCUUQOK-SFHVURJKSA-N 299.458 4.557 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCc1ccccc1 1586146068 UDIRVVFYIITXGW-OALUTQOASA-N 299.458 4.651 30 10 CJEE C=CCCCCCCCNC(=O)c1ccc(C)cc1C 1596317884 OMGMEHVJMOMXNM-UHFFFAOYSA-N 273.420 4.560 30 10 CJEE C#CCN(C(=O)C[C@@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 1598261646 QMXIWSWLKIBTKV-MRXNPFEDSA-N 299.458 4.564 30 10 CJEE C=CCC[C@H](CCC)N[C@H](C)[C@H]1CC2CCC1CC2 1621418212 FCAAOYBTCWSILF-ZTJXHEDMSA-N 263.469 4.926 30 10 CJEE C=C(C)CSc1nc(C2CCCCC2)cs1 1652167950 XIEWDFVOMPTQJA-UHFFFAOYSA-N 253.436 4.859 30 10 CJEE C=CCCc1ccccc1N[C@H]1CC[C@@H]1C1CCC1 1652282605 OISMGBDDGGUHQP-AEFFLSMTSA-N 255.405 4.796 30 10 CJEE C=CCN(Cc1ccc(F)c(F)c1)CC1CCCCC1 1652493108 FCPWUPNDAAZLRO-UHFFFAOYSA-N 279.374 4.533 30 10 CJEE C#CC[C@@H](NCc1cccc(C(C)C)c1)c1ccccc1 1653965429 RFEHGIPOERGJLN-HXUWFJFHSA-N 277.411 4.664 30 10 CJEE C=CCN(CC1CCC(C(F)(F)F)CC1)C(C)(C)C 1655094463 WOAZPFZPSFTNGV-UHFFFAOYSA-N 277.374 4.642 30 10 CJEE C#Cc1cccc(N(CC)CC[C@@H]2CCc3ccccc32)c1 1657774645 NMEZZHJZRJRYBM-IBGZPJMESA-N 289.422 4.614 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(C)c(OCC)c2)C1 1659193972 AJFLCMQDNMAENU-LSDHHAIUSA-N 259.393 4.550 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCc2ccccc2C1 1660616055 JVPVCEOQCRTKHS-LJQANCHMSA-N 273.464 4.836 30 10 CJEE C=CCCCNC(=O)N[C@H](CC)c1cccc2ccccc12 1682054435 HMQCIMKHLINEJP-GOSISDBHSA-N 296.414 4.556 30 10 CJEE CC(C)C1CCC(C#N)(C[C@H](C)OC(C)(C)C)CC1 1876999028 ULECPFPBTLMPSP-UQPPLGOBSA-N 265.441 4.936 30 10 CJEE CCCCC[C@](O)(CC)[C@@]1(C#N)CCCCC1(C)C 1879223480 UJFTYTFILRLWJS-IAGOWNOFSA-N 265.441 4.818 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@]23CCCC[C@H]2C3)C1 1880375249 ICCNVMKZOHSJRW-WMZOPIPTSA-N 261.453 4.539 30 10 CJEE CCCCCCCCCCN(C)CC[C@H]1CCCO1 1883841036 WHLUAMVADPUKNX-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE CC#CCCCC[C@@H](CCC1CCCC1)NCCC 1885264827 LYYCBBUIASLREP-SFHVURJKSA-N 263.469 4.909 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)ncc1C 1899391908 OGYSUXYNLIHRLY-UHFFFAOYSA-N 253.798 4.656 30 10 CJEE CCCc1ccc(C(C)=CB2OC(C)(C)C(C)(C)O2)cc1 1911607256 BPXNYQPAKWZCCI-UHFFFAOYSA-N 286.224 4.674 30 10 CJEE O=C(C=Cc1ccccc1)c1ccc(C(F)(F)F)cc1 1912212806 KXJRYNOBBVODML-UHFFFAOYSA-N 276.257 4.602 30 10 CJEE CC(C)CCCN(C)c1ccc(C#N)c2ccccc12 1917247297 PQDKHBGGSLCYMJ-UHFFFAOYSA-N 266.388 4.584 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1OCC[C@H]1C 1918103897 FYGTWDRCIZRGAJ-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCC[C@](C)(O)CC1[C@@H]2CCCC[C@@H]12 1919912662 KZAKWMWYORFULP-INMHGKMJSA-N 252.442 4.924 30 10 CJEE Cc1ccc(C[C@]2(C#N)CCCC23CCC3)cc1C 1921614689 HRMGUIVHEMLVHN-SFHVURJKSA-N 253.389 4.710 30 10 CJEE N#C[C@]1(C[C@H]2CCC(F)(F)C2)CCCC12CCC2 1921621944 UBPTZLLJNCYCKP-TZMCWYRMSA-N 253.336 4.676 30 10 CJEE CC(C)(C)c1csc(C[C@]2(C#N)CCCC23CCC3)n1 1921635943 KTSQVWKTBUZSID-KRWDZBQOSA-N 288.460 4.847 30 10 CJEE C=C([C@H](CC1CCCCCC1)NCC)[Si](C)(C)C 1922858980 AVUYENHRVCLCGD-INIZCTEOSA-N 267.533 4.759 30 10 CJEE C=C(C1(O)CCCCCCCCC1)[Si](C)(C)C 1923032796 XROZUNXFDYYNAB-UHFFFAOYSA-N 254.490 4.676 30 10 CJEE CC(C)CN(Cc1ccccc1)c1ccc(C#N)cc1Cl 1931889871 KNOMHDGVGOWQJK-UHFFFAOYSA-N 298.817 4.874 30 10 CJEE C=C([C@H](NCCC)[C@@H](C)OCc1ccccc1)C(C)(C)C 1932494116 CTLHYXOILMVAHI-AEFFLSMTSA-N 289.463 4.562 30 10 CJEE CCCCCCCCCCC[C@@H]1[C@H](CN)C1(F)F 1952178629 ZKYKVVJPIGROEK-KGLIPLIRSA-N 261.400 4.747 30 10 CJEE CCCCCCCCCCC[C@H]1C[C@H](F)CCN1 1952700652 RXJHUCUOHVWLDP-CVEARBPZSA-N 257.437 4.997 30 10 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YRQQQIOCGRSTBL-JCECYMMASA-N 261.453 4.667 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)c(OC)c(Cl)c1 2335112711 QMTHNOCNUZFIPA-HNNXBMFYSA-N 281.827 4.664 30 10 CJEE C=CCN(Cc1cc(F)ccc1C(F)F)C(C)(C)C 2338012616 FUKBYNDBQVLEII-UHFFFAOYSA-N 271.326 4.550 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc(C(F)(F)F)s1 2338745012 SPCOUDBEZOKPJY-CYBMUJFWSA-N 289.366 4.796 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2339023407 HJAYPFXTMGIDFK-FPSMNIFISA-N 262.437 4.988 30 10 CJEE C=CC[C@@H](CNCCC)Cc1ccc(F)c(C)c1Cl 2339201328 XQBYJWUTTJPMSM-CYBMUJFWSA-N 283.818 4.522 30 10 CJEE C#CC[C@H](C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341110516 NRKPDNXPSGNBPN-BLLLJJGKSA-N 298.257 4.564 30 10 CJEE C=C1C[C@H]1[C@H](NCCC)c1ccc(CCCC)cc1 2341891716 FCTZNYQSRNSIOA-QZTJIDSGSA-N 257.421 4.646 30 10 CJEE C=CCC(C)(C)[C@H](O)C[C@@H]1C[C@H]1C1CCCCCC1 2344464165 IQTHGRQEQGYVSD-YESZJQIVSA-N 264.453 4.946 30 10 CJEE C=CC[C@H]1CCCCN(CC[C@H]2CCC(C)(C)C2)C1 2344855104 RBQZPRDHGUWUHK-SJORKVTESA-N 263.469 4.881 30 10 CJEE CC1(C)CC[C@@H](CCOc2ccc(C#N)cc2Cl)C1 2344884386 YVHZCXPVDBDPDM-LBPRGKRZSA-N 277.795 4.807 30 10 CJEE CCC(C)(C)CCN(C)c1ccc(C#N)c(SC)c1 2353837595 HXAOIDNXRSFTBN-UHFFFAOYSA-N 276.449 4.543 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@@H](OC)[C@@H]2C1 2357042357 QKEZATBRWQXEDM-XMTFNYHQSA-N 281.484 4.530 30 10 CJEE C#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 26649410 HKLYPSSDHPAOJM-UHFFFAOYSA-N 276.470 4.809 30 10 CJEE in-vivo N#C[C@H](C(=O)CCC1CCCCC1)c1ccccc1Cl 44268842 GOGKNGFSFJJQFQ-HNNXBMFYSA-N 289.806 4.877 30 10 CJEE Cc1ccccc1CS[C@H](CC#N)c1ccccc1 55023050 RIOKSYBDCILYNZ-QGZVFWFLSA-N 267.397 4.883 30 10 CJEE N#C[C@@H](CCOc1ccc2ccccc2c1)c1ccccc1 57684693 KHHMVQZWHUCSFM-LJQANCHMSA-N 287.362 4.916 30 10 CJEE CCCCCCCCN[C@@H](C)c1cccc(F)c1 59055586 IKYXLDJXXKATSM-AWEZNQCLSA-N 251.389 4.837 30 10 CJEE CCCCCCC[C@@H](C)NCC1(N(C)C)CCCCC1 59090019 SAOZGKLTXJUMRD-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CC(C)c1ccc(-c2cc(C#N)c(C3CC3)o2)cc1[N+](=O)[O-] 77084175 FRIUSJQLEOIKLJ-UHFFFAOYSA-N 296.326 4.727 30 10 CJEE CCCCCn1cc(C(=O)CC#N)c2cccc(Cl)c21 84872377 DPTTUSVTYIUUNJ-UHFFFAOYSA-N 288.778 4.581 30 10 CJEE C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC1 86882423 NWIODJYOWZVCIY-AAEUAGOBSA-N 296.336 4.958 30 10 CJEE N#Cc1c(Cl)cccc1N1CCCCc2ccccc21 88336824 SZKZQHRVKSPRKF-UHFFFAOYSA-N 282.774 4.686 30 10 CJEE Cc1ccc(Cl)cc1OCC1(CS)CCCCC1 94585985 GYCSUYWKCSCHNH-UHFFFAOYSA-N 284.852 4.908 30 10 CJEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)c(C)c1 103997095 YZXKUNCAQPAAHW-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCCCCn1c([C@H](C)N)nc2ccccc21 104065849 NZTGDDPKFSUGGK-HNNXBMFYSA-N 287.451 4.807 30 10 CJEE N#Cc1c(F)cccc1Nc1ccc2ccccc2c1 105790387 SFVLSDALWODBNW-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(C)c(Br)c1 107497140 OVZVMONDAQVIFG-PWSUYJOCSA-N 265.194 4.520 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cc(C)c(OCCC)cc1C 107653890 YOWWYUVDXLLHDW-XJKSGUPXSA-N 258.405 4.855 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCCCC)C(C)C 110021554 GFLYYIMJPPBSPB-GOSISDBHSA-N 284.532 4.965 30 10 CJEE CCCCCCCCCCOc1ccc(CNC)cc1 110091528 JQMJHGJEAQGSPE-UHFFFAOYSA-N 277.452 4.926 30 10 CJEE CCCCCCCCCCN(CC)C1(CN)CCCC1 110107515 ZPPOKRHFNUBTKR-UHFFFAOYSA-N 282.516 4.721 30 10 CJEE N#Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1 110252889 QEPYBNVRBSPSMM-UHFFFAOYSA-N 263.127 4.609 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 110258207 YTBGBVKPUOKRRU-MRXNPFEDSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C#N)c(Oc2cc(C)c(Cl)c(C)c2)c1 110262542 BOMYFJBZLMLOMO-UHFFFAOYSA-N 271.747 4.929 30 10 CJEE CCCCCCC[C@@H](NCC)c1ccc2nccnc2c1 112320151 FWWPRJMKBFJFAO-MRXNPFEDSA-N 285.435 4.641 30 10 CJEE CCCCCCCN1CC(CC)(CC)NC[C@H]1CC(C)C 114071572 APEBSBBVENAFFL-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 122389083 IOSXLQVEGAIOBP-AAEUAGOBSA-N 297.320 4.925 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CSCCS1 125137242 YVANJZPFFVQUIJ-LSDHHAIUSA-N 290.538 4.727 30 10 CJEE CC[C@@H](C[C@H](C)CC)Nc1cc(C#N)ccc1Cl 125711775 NKCQJTDRUSVWAY-YPMHNXCESA-N 264.800 4.838 30 10 CJEE CCCCCCCC[C@H](NN)C1(c2ccccc2)CCC1 126177114 WFDCLSDLAIJUFP-SFHVURJKSA-N 288.479 4.691 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@@H](O)CCCC2 128523298 RRABDGGECXJVSJ-SFHVURJKSA-N 277.452 4.999 30 10 CJEE CCCCCCCCCCNCc1csc([N+](=O)[O-])c1 129307961 FLKZHMVOBSJCCX-UHFFFAOYSA-N 298.452 4.887 30 10 CJEE CCCCCCCOc1cccc(OC)c1[C@@H](C)NCC 130124652 IOJFOQAATNBURX-OAHLLOKOSA-N 293.451 4.715 30 10 CJEE CCCCCCCC(=O)c1ccnc2ccccc12 135415755 ILLQUSKIPQEKBW-UHFFFAOYSA-N 255.361 4.778 30 10 CJEE CCCCCCCCCCO[C@@H]1CCCCC[C@@H]1N 136278157 ZXPFZTGNZUGORL-DLBZAZTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cnsn1 143454846 GTCHQTQKNRCBKG-CQSZACIVSA-N 283.485 4.720 30 10 CJEE CCCCCCCCCOc1c(Cl)cccc1CN 158892927 FWKSXHCWIMPMNB-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)s1 158912826 CMQLERLDWSAORG-CQSZACIVSA-N 271.857 4.524 30 10 CJEE CCCCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)CC 162890071 RROVXRIHNFYONH-ZDUSSCGKSA-N 278.827 4.612 30 10 CJEE CCCCCCC[C@H](CCCc1ccccc1)NC 163313398 XYFGGNHKCJUVLH-GOSISDBHSA-N 261.453 4.958 30 10 CJEE CCCCCCCC[C@H](N)C(CC)(CC)OCC 164184768 CAIFSGAVJIDNTA-HNNXBMFYSA-N 257.462 4.660 30 10 CJEE CCSc1cccc(N2C[C@H](C)C[C@H](C)[C@@H]2C)c1C#N 166704830 PXPBEIUPFDFFBR-RDBSUJKOSA-N 288.460 4.541 30 10 CJEE CCCCCCC[C@H](CCc1ccc2c(c1)CCO2)NC 167341855 OISIOFLOJSZYKG-GOSISDBHSA-N 289.463 4.503 30 10 CJEE C=CCC[C@H](CC12CC3CC(CC(C3)C1)C2)NCC 167810460 HLUAEMNORHLYMW-AWDGRILASA-N 261.453 4.537 30 10 CJEE CCCCCCCCC[C@H](O)CC[C@H]1CCCCO1 168192340 SNEUECOFGVCXRQ-DLBZAZTESA-N 270.457 4.837 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@H]1CNCCC 169067630 VMTJPQYVABESRL-KSZLIROESA-N 263.469 4.622 30 10 CJEE N#Cc1ccccc1Nc1cc(Cl)cc(C(F)(F)F)c1 169160261 GXKZKXHILBPOKD-UHFFFAOYSA-N 296.679 4.974 30 10 CJEE C=CCC[C@@H](C(=O)OCC(C)(C)CCC#N)c1ccccc1 195046337 XXDGANDULONOTN-QGZVFWFLSA-N 299.414 4.610 30 10 CJEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 213758039 APEIINGQXZSRAX-AAEUAGOBSA-N 295.785 4.872 30 10 CJEE C=C(C)CC[C@@H](NCCC)[C@H]1CCCCC1(C)C 226887955 FYUXJSYWLVHZMI-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CN(Cc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 228814223 UYUYSZPCOYFKCC-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE C=C(C)C[C@@H](NCCC)c1ccc(C)c(Br)c1 229740159 IAJRTUXWBNRXKD-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C#C[C@@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229881871 LNLMQWRHNHBAON-IUCAKERBSA-N 290.621 4.709 30 10 CJEE CC(C)c1ccc(CC(=O)C=C2CCCCC2)cc1 232756718 YFYNPPOJYIVVJF-UHFFFAOYSA-N 256.389 4.812 30 10 CJEE C=CCCCCC[C@@H](CS[C@@H](C)CC)NCC 233536693 DEGNPYJNHPHIKE-GJZGRUSLSA-N 257.487 4.633 30 10 CJEE C=CCCCCCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1N 235570761 DVOOYYDMLAWDCN-XHSDSOJGSA-N 251.458 4.913 30 10 CJEE C=CCCCCC[C@H](N)c1cccc(C(F)(F)F)c1F 236303236 USSNPRBJPGXYJD-ZDUSSCGKSA-N 289.316 4.981 30 10 CJEE CCCCCCCCCCN1C[C@@H](CCC)NCC[C@H]1C 250833925 SPVGGQQRMQITNS-RTBURBONSA-N 296.543 4.980 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCC(C)(C)C[C@H]2C)C1 251657380 NUKQBBGSNGXCPC-XYVMCAHJSA-N 277.452 4.674 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@H](C#N)c1ccc(Cl)cc1Cl 252199180 SXBBAHHTJKOSMJ-WKPIXPDZSA-N 297.229 4.726 30 10 CJEE C#CCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 252748356 DKXROXCAQPTHGK-IKGGRYGDSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 253049993 TWYKCWUPFSTIDC-ATIWLJMLSA-N 283.500 4.904 30 10 CJEE Cc1sc(N=Cc2ccccc2O)nc1-c1ccccc1 254750426 PKTYYTIPYNTDIT-UHFFFAOYSA-N 294.379 4.575 30 10 CJEE CC(C)(C#N)c1cc2ccc(C(F)(F)F)cc2s1 260158691 WCBSXBVSPDYTFA-UHFFFAOYSA-N 269.291 4.721 30 10 CJEE CC[C@@H]1CC[C@](C#N)(C[C@H]2CCC3(CCCC3)O2)C1 299987390 JHIOAFHZZXXWIM-BZUAXINKSA-N 261.409 4.588 30 10 CJEE CC(C)C[C@@H]1CCC[C@](O)([C@@]2(C#N)CCC[C@H](C)C2)C1 300327658 LIJDPEYUDBPFTB-XLAORIBOSA-N 277.452 4.674 30 10 CJEE CC[C@@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCC1 307886361 ARRJNYYTCCOVKD-OAHLLOKOSA-N 298.213 4.675 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1F 308058179 SQOISYRMMFWLNZ-AAEUAGOBSA-N 295.785 4.728 30 10 CJEE C[C@H]1CCCC[C@@]1(C#N)CCc1ccc(Cl)cc1 308635195 CEVKTUJRUHPSSB-BBRMVZONSA-N 261.796 4.993 30 10 CJEE C[C@H]1CCCC[C@]1(C)Nc1ccc(Cl)cc1C#N 308730657 SHXKXTJMIAAANE-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE C=CCCCCCCn1c(S)nc2cc(F)c(F)cc21 312522315 BZKVYPNTCKFUKQ-UHFFFAOYSA-N 296.386 4.740 30 10 CJEE C=C[C@H](C)C1(CNCC)CCC(C(C)(C)C)CC1 317202680 ZVYIKCDSKRIBJX-UQPPLGOBSA-N 251.458 4.641 30 10 CJEE C=CCCCNc1cc(Cl)ccc1OC(F)(F)F 328520003 RETBVOYNQQBHOD-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE CCCCCCCCCCCCN(C)[C@H](CC)CN 379069437 YRKZPTQUBPNLFO-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1c(F)cccc1Cl 379882196 RWGIQKKFMZPPAI-OAHLLOKOSA-N 295.829 4.959 30 10 CJEE CCCCCCCCCOc1cccc2c1C(=O)CC2 380324357 PCLJUZWTQFLPLS-UHFFFAOYSA-N 274.404 4.945 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cscc1C 380729358 HZGCLVSMCIXGIN-HNNXBMFYSA-N 263.450 4.537 30 10 CJEE O=C(C1=CCCCC1)c1ccc(OCc2ccccc2)cc1 381931708 RYKQWSDMFYKPFN-UHFFFAOYSA-N 292.378 4.949 30 10 CJEE FC(F)c1cccc(N=C2N[C@@H](C3CCCC3)CS2)c1 386205916 GEJNBPKPJSNUGV-CYBMUJFWSA-N 296.386 4.507 30 10 CJEE CC(C)(C)[C@H]1CCSC(=Nc2ccsc2Cl)N1 387450742 USMBTAIJYIIAGI-SECBINFHSA-N 288.869 4.530 30 10 CJEE CC1(C)CCC(C#N)(c2nccc3ccsc23)CC1 388771491 LWSPHQLQHYNTSH-UHFFFAOYSA-N 270.401 4.658 30 10 CJEE C=CC[C@H](CC)NC(c1ccccc1)c1ccccc1 393776854 YLRXACBQMUIFTE-SFHVURJKSA-N 265.400 4.720 30 10 CJEE C=CC[C@@H](CC)N[C@H](c1cccs1)C1CCCC1 393830028 UWUDTJQCIUSAHC-ZBFHGGJFSA-N 263.450 4.924 30 10 CJEE CCCCCCC[C@H](CCOC(C)C)NCCC 395368084 JFSZMBNMRHBYQC-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE C=CCCC[C@@H](C)Nc1nc(C)nc2sc(C)c(C)c12 398181963 SRXYXXSEAQHZGM-SNVBAGLBSA-N 289.448 4.773 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@](C)(CC)C1 399313848 UQHMOFOXEQTQGY-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CC[C@](C)(CC)C1 399313849 UQHMOFOXEQTQGY-ROUUACIJSA-N 282.516 4.576 30 10 CJEE CCCCCCCC[C@H](CCC[C@H]1CCOC1)NC 400983664 XDEGAJMDAHOGCX-DLBZAZTESA-N 269.473 4.532 30 10 CJEE C[C@@H]1CCC[C@H](SCc2ccc(C#N)c(F)c2)C1 404743998 IXWFZLGSCOWTMS-RISCZKNCSA-N 263.381 4.509 30 10 CJEE CCc1cc(C(F)(F)F)cc(C(F)F)c1OC(F)F 575653342 CABJLGIKVRQDBV-UHFFFAOYSA-N 290.178 4.807 30 10 CJEE C=CCCC[C@@H](C)Sc1nnc(-c2cccc(C)c2)o1 680881565 FEYIUDNSBACPHS-CYBMUJFWSA-N 288.416 4.882 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)O 686680321 MJKSAUADTPQPFY-BZUAXINKSA-N 278.436 4.733 30 10 CJEE N#Cc1ccc(Nc2ccc(SC(F)(F)F)cc2)cc1 690182370 RPMVDHBUMORLGE-UHFFFAOYSA-N 294.301 4.914 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(O)C1(C#N)CCCCCC1 691117127 IUCYRHLJRIJTID-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE C[C@@H]1CCCCC[C@]1(O)C1(C#N)CCCCCCC1 691132229 JYMXXRPGGHMVMF-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CC[C@@H](C)C[C@@H](CC)Nc1ccc(Cl)cc1C#N 695668717 YERLYPBTOWRGBG-BXUZGUMPSA-N 264.800 4.838 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(N)ccc1F 695910174 JZHBATHUCMRFKL-MRXNPFEDSA-N 267.388 4.582 30 10 CJEE CN(C[C@H]1CCCC2(CC2)C1)c1cc(Cl)ccc1C#N 696192803 ANMKBQAHIVPMIK-ZDUSSCGKSA-N 288.822 4.618 30 10 CJEE Cc1ccc(CO[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C#N 701882788 SNBDRTJIRNAUAS-CXAGYDPISA-N 271.404 4.598 30 10 CJEE CCCCCCCCC[C@H](NCC)C1CC(OC)C1 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CJEE CCC(CC)(CS)CO[C@@H]1C[C@H](C)CC(C)(C)C1 94583997 HVPIZWRAFDPOGY-UONOGXRCSA-N 272.498 4.954 30 10 CJEE C=C(CC)C[C@@H](NCC)c1oc2ccc(F)cc2c1C 97283893 JZSAWMCCOAORLZ-OAHLLOKOSA-N 275.367 4.887 30 10 CJEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1Cl 97635664 FZDXUQZRJYZHMC-SECBINFHSA-N 292.716 4.663 30 10 CJEE CCC[C@@H](C)N(C)CCCCCCCCCS 97799236 PFOSUCJYROZTPI-OAHLLOKOSA-N 259.503 4.767 30 10 CJEE CCCc1nc(-c2cccc(C)c2)sc1CS 98113671 WCTHCPRXPHIRPM-UHFFFAOYSA-N 263.431 4.501 30 10 CJEE CC1(C)Cc2cccc(Oc3ccc(Cl)cc3C#N)c2O1 110260659 HCLKDDJLLGPNOU-UHFFFAOYSA-N 299.757 4.717 30 10 CJEE Cc1cc(C)c(C#N)c(Oc2cccc(C(C)(C)C)c2)n1 110262325 NEDKUFBPYWYABI-UHFFFAOYSA-N 280.371 4.660 30 10 CJEE CCCCCCCCCNCc1cc(F)ccc1F 111405620 XFDULCZIWWIVFC-UHFFFAOYSA-N 269.379 4.805 30 10 CJEE CCCCCCC[C@@](C)(CN)Nc1ccccc1Cl 115028749 ZHKJVNDPAWZSCN-INIZCTEOSA-N 282.859 4.830 30 10 CJEE CCCCCCCC[C@]1(O)CCc2ccccc2C1 115650122 MXAXCNGLVBBUDB-SFHVURJKSA-N 260.421 4.657 30 10 CJEE CCCCCCCC[C@@H](O)[C@](C)(CC)N(CC)CC 118155312 YQRILMLCZQCKBP-SJORKVTESA-N 271.489 4.608 30 10 CJEE CCCCCCCCC1(c2ccc(Cl)cc2)CNC1 118674090 XDDRTLZUSRPMAV-UHFFFAOYSA-N 279.855 4.932 30 10 CJEE CC[C@H](NCC(C)(C)C#N)c1ccc(Cl)cc1Cl 122298474 GKFMRJJPUYPWBB-ZDUSSCGKSA-N 285.218 4.584 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ncccc1F 122702518 BHUBXBOCNBLVOY-OAHLLOKOSA-N 266.404 4.622 30 10 CJEE Cc1c(CN[C@H](C)c2ccc(C#N)s2)oc2ccccc12 134953180 LNPHRQVYVJIBBR-GFCCVEGCSA-N 296.395 4.525 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C)nnc1CC 139569985 XILPIZHIHFXFSC-GOSISDBHSA-N 291.483 4.749 30 10 CJEE CCCCCCCCCCC[C@H](N)c1ccnn1CC 165633146 LMEGCCRPQDGWMD-INIZCTEOSA-N 279.472 4.824 30 10 CJEE C=CCCC[C@H](NCCC)c1cccc(F)c1Cl 167697413 CYASLZWCPALCLT-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE Cc1ccc(C[C@@H]2CC/C(=C\c3ccccc3)C2=O)cc1 169398516 CTAMTYMFKSZMNW-BIRYMOPTSA-N 276.379 4.600 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCCCC[C@@H]1C 232974974 OHBBQIQYTSAILI-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C=CCCCCCC(=O)c1ccc(F)c(Br)c1 236161472 HYMRGFMXJVIWBZ-UHFFFAOYSA-N 299.183 4.907 30 10 CJEE C=CCCCCC[C@H](NN)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 236231728 LDGJWGZWRMGIKH-MLHJIOFPSA-N 278.484 4.561 30 10 CJEE CCC1CCC(Oc2ccc(C)cc2C(C)=NO)CC1 252470921 FRUHNKUMXNUJMT-UHFFFAOYSA-N 275.392 4.541 30 10 CJEE CC1(c2nc(-c3ccc(C#N)cc3)cs2)CCCC1 312952575 YYIFWOHTMXOUEK-UHFFFAOYSA-N 268.385 4.513 30 10 CJEE C=CCCCC1(CNCCC)CCC(CC)CC1 317253522 AYGQPNQMVDPEAX-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE C=C(CC)C[C@@]1(CNC(C)C)CCCc2ccccc21 319123574 ILEYHLDEFCUUOU-LJQANCHMSA-N 271.448 4.615 30 10 CJEE CCCC1CCC(C#N)([C@H](O)c2csc(C)c2)CC1 328575643 YJENJXTVNJKHMP-OGVSOVDVSA-N 277.433 4.590 30 10 CJEE CCCCCCCCCCCC[C@]1(O)CCCN[C@H]1C 396718769 SBXRKTXIIVUQPG-ROUUACIJSA-N 283.500 4.800 30 10 CJEE CCCCCCCCCCCCN[C@](C)(CO)C(C)C 398544258 GZCSJGICSHPDAQ-GOSISDBHSA-N 285.516 4.904 30 10 CJEE CC[C@@H]1CCCC[C@H]1[C@@H](O)C1(C#N)CCCCCCC1 401952735 MIHZCWBXVMIQGL-BRWVUGGUSA-N 277.452 4.818 30 10 CJEE Cc1ccc(C)c(SCc2ccc(C#N)c(F)c2)c1 404766598 WMXUCXBPCJFDQA-UHFFFAOYSA-N 271.360 4.607 30 10 CJEE C[C@H]1Cc2c([nH]c3ccc(C(C)(C)C)cc23)[C@@H](C#N)C1 527397124 RXIZGLOCDHKMCF-VXGBXAGGSA-N 266.388 4.655 30 10 CJEE CC(C)(C#N)CCSCc1nc(C(C)(C)C)cs1 616303672 GSIOHAUGLHDLNU-UHFFFAOYSA-N 282.478 4.614 30 10 CJEE C#CCCCCCn1ccc2c(OCCC)cccc21 686674079 XMUUTHNMAYOWSY-UHFFFAOYSA-N 269.388 4.624 30 10 CJEE C#CCCCCC[C@@H](NCC)c1sccc1Cl 686698413 WQGXFLCWPKGASZ-CYBMUJFWSA-N 269.841 4.636 30 10 CJEE CCSc1cccc(Nc2c(C)cccc2C#N)c1 690127557 AZSVLBODTGNTJR-UHFFFAOYSA-N 268.385 4.722 30 10 CJEE CCCCCCCCNc1cncc(Cl)c1C 690424641 QCPCPKCXSAVAOD-UHFFFAOYSA-N 254.805 4.816 30 10 CJEE CCCCCCCCOCCC[C@@H](O)c1ccccc1 695036620 VCNVTRYDMODBFY-GOSISDBHSA-N 278.436 4.877 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1[C@@H](C)CO 696759867 SIPVWFDBZCBEAL-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE C=CCC1(Nc2c(N)ccc(Cl)c2C)CCCC1 700656908 IVUBVZJUOOVBPA-UHFFFAOYSA-N 264.800 4.531 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1/N=C1/N[C@](C)(C(C)C)CS1 703727749 WJDPVHIIYUMAOM-ANQUJSFKSA-N 296.524 4.554 30 10 CJEE N#Cc1ccc(Nc2cncc(Cl)c2)c2ccccc12 709168523 HXKXEIRNEZVIIP-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CCCC1CCC(C=O)(Cc2ncsc2Cl)CC1 712001644 APHGYHCKMRSAGY-UHFFFAOYSA-N 285.840 4.515 30 10 CJEE C[C@@H](/N=C1/NC2(CCCCCCC2)CS1)C(C)(C)C 713284098 GCXMTJKSGUKFHE-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 715787291 LWCCEJTWYSQLQX-QXSJWSMHSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)c(F)cc1F 715811394 CFDSOIIOXGSMHF-ZBEGNZNMSA-N 267.363 4.526 30 10 CJEE C=CC[C@H](C)[C@H](NCC)C1CCC(C(F)(F)F)CC1 715812798 IBLZCIQXNHWFAN-ABXWRUBCSA-N 277.374 4.545 30 10 CJEE CSc1cccc(N[C@@H]2CC(C)(C)CC[C@@H]2C)c1C#N 717431134 ITCQSDKEOIELCN-SWLSCSKDSA-N 288.460 4.907 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2sc(C)cc2C)CC1 719471300 GPKAWJUPVSKXQF-WIHSUSGWSA-N 291.460 4.899 30 10 CJEE C=C1CCC(C[C@@H](CCc2ccccc2)NCC)CC1 724554353 VOURLOZXVGZRGE-LJQANCHMSA-N 271.448 4.734 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(Cl)s2)CC1 724580541 AKVHDDZDBZZRAF-NSHDSACASA-N 256.798 4.571 30 10 CJEE Fc1ccc(C#Cc2cccc(Cl)c2Cl)cc1 725432318 WNCDHFMWPOQXCL-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE CC(=NOCC(F)(F)F)c1ccc(-c2ccccc2)s1 764847218 UZWXZKYWWFJIIH-UHFFFAOYSA-N 299.317 4.718 30 10 CJEE CCc1ccc(/C(=N/OCc2ccccc2C)C2CC2)cc1 821226643 IUPHJCUZRGBKDA-MRCUWXFGSA-N 293.410 4.888 30 10 CJEE CCCO/N=C(/c1ccc(-c2ccccc2)cc1)C1CC1 821228774 BKSBEIZLFBNBBL-VXPUYCOJSA-N 279.383 4.894 30 10 CJEE C=CCN(CC1CCCCC1)C[C@H]1CCCC2(CCC2)O1 1167392754 WCDBTIPXCVZBQC-GOSISDBHSA-N 291.479 4.547 30 10 CJEE C=CCC[C@H](C)Nc1cnn(C(CC)CC)c1CC 1181382527 IDSICGMLTFVSJC-ZDUSSCGKSA-N 263.429 4.573 30 10 CJEE CCCCCCCCC[C@H](C)NCCCC(C)(C)O 1258230686 ARNKOZNVJQVUMO-INIZCTEOSA-N 271.489 4.656 30 10 CJEE C=CC1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)CC1 1265170236 QSQVISXGJBSNNJ-UHFFFAOYSA-N 289.463 4.574 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C(\CC)c1ccc(C)cc1 1280397719 OYOZUEPPNBLXDE-JQIJEIRASA-N 285.431 4.649 30 10 CJEE C#CC[C@H]1CCN(C(=O)[C@](C)(CCC)CCCCCC)C1 1280468273 QVWYELWTUANVIC-PKOBYXMFSA-N 291.479 4.635 30 10 CJEE C=CCCCC[C@H](C)N[C@@H](C)[C@H]1CCC[C@H](C)C1 1308818389 GRKHJPFMWAQBOJ-QAETUUGQSA-N 251.458 4.926 30 10 CJEE C=CC1(CC(=O)N(C2CC2)[C@H](C)[C@@H](C)CC)CCCCC1 1353083878 UBAWTIFWTCAASO-JKSUJKDBSA-N 291.479 4.939 30 10 CJEE C=CCC[C@@H](C(=O)NCC(C)(C)CCC=C)c1ccccc1 1438261184 VXBYWVDBTQXJHT-GOSISDBHSA-N 299.458 4.845 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](CCCCC)C(C)(C)C 1456343006 OUCHUZILGWJQQU-MRXNPFEDSA-N 279.468 4.866 30 10 CJEE CCCCCCCCCCN1CCO[C@@](C)(C2CC2)C1 1460411484 QZCSKJQXXHYMTP-GOSISDBHSA-N 281.484 4.628 30 10 CJEE C=C(C)c1cccc(NC[C@H]2CCc3ccccc3C2)c1 1462646040 LREHGLUBZZVXIM-INIZCTEOSA-N 277.411 4.937 30 10 CJEE C=CCCCN(C)[C@H]1CCCC[C@@H]1c1ccccc1 1473550215 JEMZKBNJTFEYOF-MSOLQXFVSA-N 257.421 4.611 30 10 CJEE C=CCCC[C@@H](NCCC1CCC1)c1ccccc1 1473760241 ZPRKSBVNBVXYHT-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CCC1(CNC(=O)N[C@@H](C)CCC(C)(C)C)CCCC1 1477949450 MYWIUBFDQQOUEV-HNNXBMFYSA-N 294.483 4.637 30 10 CJEE C=C[C@@H](CC(=O)N(CCCC)CCCC)c1ccccc1 1524844319 FLMLIMDDZYXTEL-KRWDZBQOSA-N 287.447 4.775 30 10 CJEE C=CC1(CC(=O)N[C@H](C)C2CCCCCC2)CCCCC1 1528458642 PJZFLJXZTHNBAU-MRXNPFEDSA-N 291.479 4.988 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C 1535874035 GMBRTOYAIZDDLC-YVEFUNNKSA-N 296.357 4.807 30 10 CJEE C=CC[C@@H]1N(Cc2ccc(Cl)cc2)CCCC1(C)C 1559796992 CSHLRCNICZUDQZ-INIZCTEOSA-N 277.839 4.907 30 10 CJEE C=C[C@H](CC)CC(=O)N(CC(C)C)c1ccc(CC)cc1 1586719553 IOEGHNLGYCEPBZ-MRXNPFEDSA-N 287.447 4.840 30 10 CJEE C#CCC1(C(=O)N(C)CCCC(CC)CC)CCCCC1 1595383715 BOEXLHKEHCWFMY-UHFFFAOYSA-N 291.479 4.635 30 10 CJEE C=CC[C@@H]1N(Cc2cc(C)ccc2C)CCCC1(C)C 1617604232 PDOVZELLRVBAML-SFHVURJKSA-N 271.448 4.870 30 10 CJEE C=C1CCC(CNC(=O)c2cc3cc(C)ccc3s2)CC1 1625699268 ABTQLJYTDBHUMZ-UHFFFAOYSA-N 299.439 4.686 30 10 CJEE C=CCC(CC=C)C(=O)NC(C1CCCC1)C1CCCC1 1626518878 WUUJLQCGRMIVSQ-UHFFFAOYSA-N 289.463 4.620 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)c2ccccc2CC(C)(C)C)C1 1641030437 XRDYERZKEDRSPT-MRXNPFEDSA-N 299.458 4.704 30 10 CJEE C=CCCCCCN(Cc1ccccc1O)C1CCCC1 1641731453 UMVZVOSGCUTSTJ-UHFFFAOYSA-N 287.447 4.883 30 10 CJEE C=CCCCN(CC)CCC1C[C@H](C)C[C@@H](C)C1 1648544490 QNBQZHAOXNEJQL-HZPDHXFCSA-N 251.458 4.737 30 10 CJEE CCCCCCCCCNCc1ccsc1C 1656669748 WIXVIDTYOSRVLC-UHFFFAOYSA-N 253.455 4.897 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(OCC2CC2)cc1 1656758592 AEOMZUFMIJSMQM-UHFFFAOYSA-N 287.447 4.557 30 10 CJEE C=CCN(Cc1ccc(OC)cc1)C[C@H]1C(C)=CCC[C@H]1C 1657255129 BFFFYTQNSWCXHC-XLIONFOSSA-N 299.458 4.676 30 10 CJEE C=CCCCCC[C@H](C)NC[C@@]1(C)CCOC2(CCC2)C1 1658934198 LCFHWRWRQABHHA-ROUUACIJSA-N 293.495 4.840 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1ccc2ccccc2c1 1667117066 DSDDJNHZGMHTAN-UHFFFAOYSA-N 282.387 4.564 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 1667748684 YMUAQKPRJBJJRX-OAHLLOKOSA-N 294.398 4.660 30 10 CJEE CC#CCCC[C@]1(CNC(C)C)CCC[C@@H](CC)C1 1879644788 QURVACNXBPVIFY-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C=C1CCC(C[S@@](=N)(=O)Cc2ccc(Cl)cc2)CC1 1879720683 IMYCQHBQTZPYQI-LJQANCHMSA-N 297.851 4.633 30 10 CJEE 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CJEE C=C(C)CCCC[C@@]1(O)CC(C)(C)Oc2ccccc21 2287464573 ABDDHRXXZMZXQD-GOSISDBHSA-N 274.404 4.572 30 10 CJEE C#CC1(NC[C@H]2CCCC(C)(C)C2)CC2(CCCC2)C1 2288191541 QRROBSNPVYTAAD-INIZCTEOSA-N 273.464 4.519 30 10 CJEE C#CC1(NC[C@@H]2CCC[C@H](CC)C2)CC2(CCCC2)C1 2288216977 XKCFJIWUSQVURB-DLBZAZTESA-N 273.464 4.519 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1sccc1CC 2289852524 QIKCTYGJXCPIKB-QGZVFWFLSA-N 289.488 4.935 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1csc(C)c1C 2289873432 DCKQVWNQUGJNNS-SFHVURJKSA-N 289.488 4.989 30 10 CJEE CO[C@H]1C[C@@](C#N)(CC2CC(CC(C)(C)C)C2)C1(C)C 2290113667 ITOGTIUYTPUQBY-ZUBZBLCWSA-N 277.452 4.794 30 10 CJEE CCCCC#CC[C@@](CC)(C[C@H](C)CC)OCCCN 2292571343 LRVWZLDZOMQHCI-MSOLQXFVSA-N 281.484 4.521 30 10 CJEE C=C1CCC(C[C@@H](CCCCCC)OCC(=O)O)CC1 2292730524 GWXUBXRSMRKQCT-MRXNPFEDSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@]1(OCCCN)C[C@@H]2CC[C@@H]2C1 2293411843 WTTXYDCSZGNOOL-PIIMJCKOSA-N 281.484 4.661 30 10 CJEE CCCCCCCCCC[C@]1(OCCN)CCC=C1C 2293503921 GFURXAZWHAMTAN-SFHVURJKSA-N 281.484 4.971 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)C1[C@H](C)[C@H]1C 2294251686 MNFGOSHQICTOHB-NUJGCVRESA-N 283.500 4.763 30 10 CJEE CCOc1ccccc1C=CC(=O)c1cccc(Cl)c1 2294300093 REWZUIUKHVDXSS-UHFFFAOYSA-N 286.758 4.635 30 10 CJEE C=CCCCC[C@]1(OCCN)CCC[C@H](CC(C)C)C1 2294661641 GTFFGSGWILUQFF-MSOLQXFVSA-N 281.484 4.683 30 10 CJEE O=C(CC#CC1CCCCC1)Cc1ccc(Cl)c(F)c1 2295163972 LCKUGRREIXBWPN-UHFFFAOYSA-N 292.781 4.565 30 10 CJEE CC(C)[C@@H]1CC=C(C(=O)c2nc3ccccc3s2)CC1 2295381404 CZVDSNZQRGJHMC-GFCCVEGCSA-N 285.412 4.862 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@@H]1CC[C@@H]1C 2295524687 MLNCIINOFOVSNO-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@]1(C)NCC2(CO1)CC(C)C2 2295535321 BMVLOGHXMUTUKV-LXPRWKDFSA-N 281.484 4.879 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCOCC1(C)C 2295670324 DFOMQSXSRKQSNR-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@@H](C)Nc1c(C)nn(C)c1C 2295685825 BCORUTWTFDOJOL-CQSZACIVSA-N 279.472 4.978 30 10 CJEE CCCCCCCCC[C@H](C)NCCC1CC(OC)C1 2295688686 ILXPTIPOXKOPPT-AOCRQIFASA-N 283.500 4.920 30 10 CJEE CCCCCCSC[C@@](C#N)(C[C@H](C)CC)NCCC 2295765015 YYHQQLQYZUGLTD-SJORKVTESA-N 298.540 4.998 30 10 CJEE CC(C)(C)c1csc(NN=CC=Cc2ccccc2)n1 2297330111 NMBRYRZOKYANPW-UHFFFAOYSA-N 285.416 4.552 30 10 CJEE N#Cc1csc(C=CC(=O)c2cc3ccccc3s2)c1 2310467717 YJHSOBWXYLSZIY-UHFFFAOYSA-N 295.388 4.731 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]1(F)C[C@@H]1C 2312051842 SQWODUAXKUGXTH-ARFHVFGLSA-N 257.437 4.853 30 10 CJEE C=CCC(CC=C)S[C@@H](c1cccs1)[C@H](N)CC 2313529220 MFFPXMLHTLQHLD-UKRRQHHQSA-N 281.490 4.781 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)cc1 2313686788 QBRYBQJYFDUJEJ-KBPBESRZSA-N 263.450 4.631 30 10 CJEE C=CCCCSc1ccc(C)c(Cl)c1CNCC 2314001093 FPOGSBMYQGVKEH-UHFFFAOYSA-N 283.868 4.816 30 10 CJEE CCCCCCC[C@@H]1NC[C@@H](C)C[C@@H]1C(F)(F)F 2316189216 MFXHNHIYFSVFKD-AVGNSLFASA-N 265.363 4.523 30 10 CJEE C=CCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1C 2317056415 HMIFSLBOXOYMSE-CYBMUJFWSA-N 287.234 4.553 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2318361743 CNLGJJWSACLFSS-LKFCYVNXSA-N 290.209 4.995 30 10 CJEE C=CCCCCCC[C@H](CCC[C@H]1C[C@H]1C)NC 2318944470 QLIZPIRGGAVGQL-IXDOHACOSA-N 251.458 4.927 30 10 CJEE SCCCCCCCOCC[C@@H]1CC[C@H]1C1CC1 2319607514 ZPRQXYWTZZHWRB-HOTGVXAUSA-N 270.482 4.710 30 10 CJEE C=CC[C@H](C)[C@H](CC1CC(CC(C)(C)C)C1)NC 2321097798 FGPRXEULSXOONF-LBDPXKHJSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)CC[C@@H]1CCCC1(F)F 2321099242 PYHWOVKIDLRMKO-IHRRRGAJSA-N 259.384 4.522 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1CC[C@@H](C)C1 2321101292 IQEXYKAKMOUMRL-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@@H]1CC[C@@H](C)[C@H](C)C1 2321105123 MMGUPHSITYYURL-JJTUDDRGSA-N 251.458 4.639 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1C[C@@H]1C(C)(C)C)NCCC 2321117840 PZOCDIRXMAEFOS-VGWMRTNUSA-N 251.458 4.639 30 10 CJEE CC1(C)CCC[C@]1(C#N)CCC1(C(F)(F)F)CC1 2321548955 XVOXICGJEMSELJ-CYBMUJFWSA-N 259.315 4.829 30 10 CJEE CC#CCCCCC(=O)c1cc(F)c(Cl)cc1Cl 2325273069 DACOTXSOLNMAHF-UHFFFAOYSA-N 287.161 4.899 30 10 CJEE C=C1C[C@@H]1[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2327367854 MCHKFAMQOJYTCB-IINYFYTJSA-N 288.193 4.749 30 10 CJEE C=C(CC)C[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329822828 XKHRCPPKZZMTSC-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@H]1[C@@H](NCC)C[C@H](C)C[C@H]1C 2335199765 GAXIIEJKZBNMHY-TXCZRRACSA-N 281.509 4.653 30 10 CJEE C=CC(C)(C)COCCCCCCCNC(C)(C)C 2337975535 ATHHPAPMMZPRIO-UHFFFAOYSA-N 269.473 4.554 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)C[C@@H](C)C(C)(C)C 2338392286 DUJACHODYPJUCQ-CABCVRRESA-N 277.477 4.540 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C2(C)CC2)c1 2341922055 INQNBXBQSNTEPQ-QGZVFWFLSA-N 257.421 4.745 30 10 CJEE C=CCCCCC[C@H](NC)c1cccnc1C(C)C 2342156997 JLZKESMRGHABOM-INIZCTEOSA-N 260.425 4.602 30 10 CJEE C=CCCC(C)(C)NCc1cccc(C2CCC2)c1 2343804232 HFDUBSWDUZUJLK-UHFFFAOYSA-N 257.421 4.789 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ncc(C(C)(F)F)s1 2344335682 BQIIYCNCFNMKKA-JQWIXIFHSA-N 288.407 4.508 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(F)c(F)c1C 2344336657 KVDFOAOVMKLTAH-HNNXBMFYSA-N 267.363 4.526 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(C)(C)C(F)(F)F)NC 2344354902 DGHFLWZLPMJSIH-JSGCOSHPSA-N 279.390 4.936 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)c(C)cc1OC 2344463438 FKYSXWORAZCDLW-JKSUJKDBSA-N 282.811 4.683 30 10 CJEE C=C[C@@H](C)C[C@H](CCC1(C(F)(F)F)CC1)NCCC 2344766325 YVQTUJWLHXCIQL-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CN(C[C@@](C)(CS)C(C)(C)C)[C@H]1CCCCC12CC2 2352098777 LPENSSWIAPKILN-HOCLYGCPSA-N 283.525 4.623 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C[C@H]2CC[C@@H]3[C@H](C2)C3(F)F)C1 2354838024 UNSSTWBZMKLJAF-LEOABGAYSA-N 284.390 4.843 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1OCC[C@@H]1C 2358323228 GYZVKWGSPFDQRJ-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](C[C@@H]1C[C@@H]1C)NCCC 2358323856 ZHKJAHCXUVVULF-WNRNVDISSA-N 283.500 4.512 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C 68618512 RVLKRUIVZPFHEJ-GYSYKLTISA-N 296.336 4.814 30 10 CJEE CC[C@]1(C)CS/C(=N\c2ccccc2-c2ccccc2)N1 80883155 NUIIQULCQADEAS-GOSISDBHSA-N 296.439 4.846 30 10 CJEE C#CCC[C@H](NCCC)C1CCC(C(C)(C)C)CC1 87988123 WUEWSXLVDMTZIB-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@](C)(O)c2ccccc2Cl)C1 91877752 NVRJDFWFICVWCQ-XYPHTWIQSA-N 291.822 4.658 30 10 CJEE CCCC1CCC(C#N)([C@]2(O)C[C@H](C)CC[C@@H]2C)CC1 91887495 HFXWTMQNWNCGJM-VGAKTEPXSA-N 277.452 4.674 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Sc1ccccc1Cl 93955897 IMDZVCJDMNGHCO-GWCFXTLKSA-N 251.782 4.514 30 10 CJEE CCC(CC)(CS)CN(C)Cc1ccc(Cl)s1 94580210 NFXYXGOLQWHKRT-UHFFFAOYSA-N 291.913 4.570 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)c1ccccc1 95810774 BXMPZTSRTCGRLF-GOSISDBHSA-N 275.436 4.786 30 10 CJEE CCCCCC[C@@H](C)Oc1ccc(C#N)c(Cl)c1 104172621 IKGCESWQNZEYMU-GFCCVEGCSA-N 265.784 4.949 30 10 CJEE CCCCCCCCOc1cccc(Cl)c1C(N)=S 104174041 GWEYFGAWDHYXLZ-UHFFFAOYSA-N 299.867 4.714 30 10 CJEE Cc1ccc(C#N)c(Oc2cccc(C(C)C)c2)c1 104176291 ORSYJACFPXLWPN-UHFFFAOYSA-N 251.329 4.782 30 10 CJEE CCCCCCCOc1ccc(CC(=O)OC(C)C)cc1 106150005 WFTARVRUVZZIKU-UHFFFAOYSA-N 292.419 4.530 30 10 CJEE SCCCc1c(Cl)ccc(Cl)c1Cl 107503020 NOWRVPXVERHWKR-UHFFFAOYSA-N 255.597 4.509 30 10 CJEE CCC#C[C@@H](C)[C@H](C)c1cc(Cl)ccc1OCC 107582298 QJAPNQHPXIIRGJ-OLZOCXBDSA-N 264.796 4.892 30 10 CJEE CCCCCCCCCOc1ccc(CN)cc1Cl 107718193 HJAHIIUFDFDBHD-UHFFFAOYSA-N 283.843 4.928 30 10 CJEE CCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 108423434 AWIZNADVAZYZBD-UHFFFAOYSA-N 292.379 4.592 30 10 CJEE CCCCCCCC1(CNC(C)(C)C)CCOCC1 108451696 ZVBHRSHWYNPLTD-UHFFFAOYSA-N 269.473 4.532 30 10 CJEE CCCCCCC[C@](C)(N)c1cccc(Br)c1 109706014 NTWNOZNTPJQPGB-HNNXBMFYSA-N 298.268 4.984 30 10 CJEE CCCCCCCC[C@@](C)(N)Cc1ccc(OC)cc1 109707980 CICPVYQTBHBDGW-GOSISDBHSA-N 277.452 4.706 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)Cc1cccc(C)c1 110017331 HLYFBKKNOPIBTD-IBGZPJMESA-N 290.495 4.505 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCOC1 110164849 LAGVTCLOWACPSL-QGZVFWFLSA-N 269.473 4.533 30 10 CJEE N#CCCN(Cc1csc2ccccc12)c1ccccc1 111311749 WSBZCABREBHNAX-UHFFFAOYSA-N 292.407 4.822 30 10 CJEE CCCCCCCC[C@H](N)c1cc(OC)c(OC)cc1C 115856951 LPAULOWFGMLAFK-INIZCTEOSA-N 293.451 4.763 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](C)c1ccncc1 117685120 LYVGWEPNUPUTOD-FUHWJXTLSA-N 276.468 4.914 30 10 CJEE CCCCCCCOc1ccc([C@H](C)NC)cc1C 122743720 JRFXCEKFGBYHRY-HNNXBMFYSA-N 263.425 4.625 30 10 CJEE CCCCCCCCC[C@H](N)Cc1c(F)cccc1F 125536206 QTHLGEWJOPROIG-AWEZNQCLSA-N 283.406 4.975 30 10 CJEE CC[C@@H](C)C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 130957712 WCYOVWFJHBPMGY-GHMZBOCLSA-N 284.325 4.814 30 10 CJEE C=C(CN[C@@H](C)c1cc(C)sc1C)c1ccccc1 134361399 HSUDYAAHTVZTSS-AWEZNQCLSA-N 271.429 4.729 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccncc1OC 134688831 AAXWERAMXITQDH-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 135243265 PLARCKUJKDNGHH-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1snnc1CC 140468021 YBNVVQNKIHKWDT-OAHLLOKOSA-N 297.512 4.892 30 10 CJEE CCCCCCCCCCCCN1CC([C@H](C)C(=O)O)C1 165803823 YTIYQNRRSFOKEF-INIZCTEOSA-N 297.483 4.560 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1F 166857875 IYXHQJUVAQNPFI-ZDUSSCGKSA-N 295.144 4.809 30 10 CJEE C/C(CCc1ccc(OC2CCCCCC2)cc1)=N/O 167482290 XTZIEQOJGMLFKU-JXAWBTAJSA-N 275.392 4.571 30 10 CJEE C=CCC[C@H](NCCC)c1ccc(Br)cc1C 167784872 BUVJONCKHNMFST-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE COc1cc([C@H](C#N)C2CCCCCC2)ccc1C 167858892 WWIPPDYIZKHDBV-MRXNPFEDSA-N 257.377 4.581 30 10 CJEE CCC/C=C(/N=C(\N)c1ccc(C)cc1)c1ccc(C)cc1 196147390 CXMTVZQQMACZDX-KPSZGOFPSA-N 292.426 4.850 30 10 CJEE CCCCCc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1 196707894 GDVMCIKQNOCQHE-UHFFFAOYSA-N 292.378 4.517 30 10 CJEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 211888334 OQUFJMAFYUDNMS-AWEZNQCLSA-N 295.785 4.872 30 10 CJEE CC[C@@H]1CCC[C@H](Oc2cc(C)ccc2/C(C)=N\O)C1 217224362 UCWDLBDQRUCLRL-BDEOENBDSA-N 275.392 4.541 30 10 CJEE C#C[C@@H](CCC)N[C@@H](c1ccccc1)C1CCCCC1 229920742 BGUDVSUAYYJJMP-OALUTQOASA-N 269.432 4.700 30 10 CJEE C=CCOc1ccc(CNc2cc(F)ccc2Cl)cc1 231814342 JTCUBQHIKDDWGL-UHFFFAOYSA-N 291.753 4.656 30 10 CJEE CC(C)Cc1cccc(C(=O)C2=CCCCCC2)c1 232635778 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C=CCCCCCCC[C@@H](NCCC)[C@H](C)OCC 2227271284 JPQWZFBBCWEKTA-DLBZAZTESA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@@H](NC)C1CC(C(F)F)C1 2227271712 LZANKZYKGQNFEC-YMAMQOFZSA-N 273.411 4.782 30 10 CJEE C=CCCCCCCCC(=O)c1cc(F)ccc1N 2227282989 CXDXSJNOPCYYKX-UHFFFAOYSA-N 263.356 4.507 30 10 CJEE C=CCC(C)(C)OCc1csc(CN[C@H](C)CC)c1 2230204319 VHGDKLVQVPQMDM-CYBMUJFWSA-N 281.465 4.508 30 10 CJEE CCCCCCCCCOC[C@H](C)CN[C@@H](C)CC 2230983301 MLFLFQXIVFNXNN-SJORKVTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCO[C@@H]1CCN[C@@H](C(C)C)C1 2230985905 ZYDTVVSAYVHKGY-IAGOWNOFSA-N 269.473 4.530 30 10 CJEE C=C[C@](C)(CNC1CCC1)C[C@@]1(C)CCCC1(F)F 2231501668 BBXATDDWTVFVTK-LSDHHAIUSA-N 271.395 4.536 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccc3occc3c2)C1 2232356096 KBTRHWKMJBFTRO-DYVFJYSZSA-N 253.345 4.695 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(OC(C)(C)C)C1)NCCC 2232960529 OBFIOMMCBBKUJT-ZGRYLRDCSA-N 281.484 4.551 30 10 CJEE C=CCC[C@H](NCCC)c1cccc(C(C)C)c1OC 2233237777 DHVHJSLPDPKLJI-KRWDZBQOSA-N 275.436 4.826 30 10 CJEE O=C(CC#CC1CCCCC1)Cc1ccc(F)c(Cl)c1 2233372273 IACPUYWCBFTBSP-UHFFFAOYSA-N 292.781 4.565 30 10 CJEE CC1(CC(=O)[C@H](C#N)c2ccc(F)c(Cl)c2)CCCC1 2233402847 DOVNUIKETYPSSW-GFCCVEGCSA-N 293.769 4.626 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C1(C)CCC2(CC2)CC1 2233781398 GVZGKXWEVYFJNW-MRXNPFEDSA-N 275.480 4.765 30 10 CJEE C=CCCCCCCCCO[C@@H](CCCC)C(=O)OC 2234048899 QPBXUEBJVKSXIK-INIZCTEOSA-N 284.440 4.652 30 10 CJEE C=CCCCCCCC[C@@H](N)C[C@@H]1OCCCC1(C)C 2235521194 HENXHMSOLRAEMW-SJORKVTESA-N 281.484 4.826 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H](OC)C1 2235526381 KHQMQLOHQMTRLM-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCN1CCCc2ccccc2C1 2235542134 PCPCVABMKYJCLW-UHFFFAOYSA-N 271.448 4.961 30 10 CJEE CC#CCCCCN(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2238851800 KJRLGLSGQSZTRU-CEXWTWQISA-N 275.480 4.718 30 10 CJEE CC#CCCCCN(C)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2238851803 KJRLGLSGQSZTRU-QYZOEREBSA-N 275.480 4.718 30 10 CJEE C=C[C@](C)(C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)OCC 2238891066 JDYVRSHUHDKIEK-YFHUEUNASA-N 278.436 4.738 30 10 CJEE C=C[C@H](CCCCC)O[C@@](C)(CCC(C)(C)C)C(=O)O 2239505471 RAYRQNDKICMENA-PBHICJAKSA-N 284.440 4.808 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1cnc(OCC)s1 2239812468 VMASAMAYGZXRHC-CQSZACIVSA-N 296.480 4.719 30 10 CJEE C=C([C@@H](NCC)c1ccc(C2CCC2)cc1)C(F)(F)F 2240376668 BBTGEKZFYYNVHN-OAHLLOKOSA-N 283.337 4.723 30 10 CJEE C=CC[C@@H]1CCCCN(CCCC(F)(F)C(F)(F)F)C1 2240411601 CWAMLCFHTSRFEI-GFCCVEGCSA-N 299.327 4.642 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@H]1CC[C@H]2C[C@H]1CO2 2240629465 SSHXDWZVVKACJA-OWSLCNJRSA-N 282.468 4.693 30 10 CJEE CCCCCCCC[C@](C)(N)CCCOCC(F)(F)F 2240629719 WYQUWENZQYIZJF-AWEZNQCLSA-N 297.405 4.814 30 10 CJEE O=C[C@@]1(Cc2cccc3ccoc23)CCCCC12CC2 2241179138 UDUSTZJECBGWSA-SFHVURJKSA-N 268.356 4.515 30 10 CJEE CC(C)[C@H](C#N)n1ccc2cc(Cl)c(Cl)cc21 2248219976 IPVZERHFNBZTDO-ZDUSSCGKSA-N 267.159 4.669 30 10 CJEE CCC(=CC(=O)c1ccc(Cl)cc1CC)CC 2248361272 OHLZAIWMHVYHNR-UHFFFAOYSA-N 250.769 4.832 30 10 CJEE CCCCC[C@H](C)Nc1c(Br)cccc1C#N 2248960315 WEDAQQRIRFTMBA-NSHDSACASA-N 295.224 4.701 30 10 CJEE C=C(C)CCCC[C@@H](CO)c1cccc(Cl)c1 2250187545 JDSZOTSVBNEBBZ-AWEZNQCLSA-N 252.785 4.552 30 10 CJEE C=C(C)CCCCN[C@H](C)C1CCC(F)(F)CC1 2259192523 HHRYEOLBHPTFQB-CYBMUJFWSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@H](NC)C(F)(F)C1CCCC1 2259194570 KYMJVIRSTMAABE-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc(Cl)cc(F)c1F 2259209719 CYSDITJRZOVQPD-ZDUSSCGKSA-N 274.738 4.788 30 10 CJEE CCCC[C@@H](C)CC[C@H](O)C#CC1CCCCC1 2261056011 GMCYNGDIONAZCS-WBVHZDCISA-N 250.426 4.538 30 10 CJEE CCCCCCCCC[S@@](=O)c1cc(F)cc(F)c1 2266588996 OFBCAZJJDLDUBK-LJQANCHMSA-N 288.403 4.823 30 10 CJEE CCCCCC[C@H](CC=CC#CC(C)(C)C)NCC 2268739793 VGSYEHNIBNKWSN-QGZVFWFLSA-N 263.469 4.931 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)o1 2268755198 QELMTVRRXCOZNA-CYBMUJFWSA-N 279.811 4.579 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1CCCCCCC[C@@H]1O 2268787585 VTHMZEURUPNTJW-IRXDYDNUSA-N 262.437 4.704 30 10 CJEE C=CCCCS[C@@H]1CCCCCCC(F)(F)[C@H]1NC 2271484199 AUOMOKRXUAKPAE-KGLIPLIRSA-N 291.451 4.632 30 10 CJEE C=CCCCSc1c(CNCCC)ccc(F)c1F 2271581026 GTKAHULKUNEVJI-UHFFFAOYSA-N 285.403 4.523 30 10 CJEE C=C(C)CCCCN(C)C[C@H]1C[C@@H]1C1CCCCC1 2271835645 WWYUYSFQJURNDD-QZTJIDSGSA-N 263.469 4.881 30 10 CJEE C=C(C)CCCC[C@H](NC)c1csc(C(F)(F)F)n1 2271838777 JOQLDWWISZVZSN-JTQLQIEISA-N 292.370 4.559 30 10 CJEE CC[C@@H]1CNC(=NCC[C@@H](C)CCCC(C)C)SC1 2272261201 PMJRUNWHXKRPJI-LSDHHAIUSA-N 284.513 4.558 30 10 CJEE O=CC1(C[C@@]23CCCC[C@H]2CC3)CCC2(CC1)CC2 2273426250 ONQOFDICFZFSCH-YJBOKZPZSA-N 260.421 4.886 30 10 CJEE CCCC1CCC(CN)(CC#CC2CCCC2)CC1 2274179259 ANQUVCYZJGFJES-UHFFFAOYSA-N 261.453 4.506 30 10 CJEE CCCCCCCCCC[C@H](CCC)OCC(=O)O 2274756151 AISVIASKZSWYPH-HNNXBMFYSA-N 272.429 4.787 30 10 CJEE C=CCCCC1(OCCN)CCCCCCCCC1 2276128014 VZVNZUCCQUZWHS-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@H](C[C@]1(C)C[C@@H]1C)OCCN 2276169675 IKWYAMJCFAXRNJ-BBWFWOEESA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](C[C@H](C)C1CC1)OCCN 2276256131 ODRKYDRYMWUPBJ-RDJZCZTQSA-N 269.473 4.517 30 10 CJEE C=C(C)CCCC[C@H](NC)c1nc(C(C)(F)F)cs1 2278704413 SDHVVLCIPBSLPT-NSHDSACASA-N 288.407 4.652 30 10 CJEE C=C([C@@H](NCCC)[C@H]1CC(F)(F)C12CCC2)C(C)(C)C 2280878509 IBPTVLSQZVLQHE-ZIAGYGMSSA-N 285.422 4.782 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1cc(C)ccc1Cl 2283356069 NQCKAQCGSGSDIA-KRWDZBQOSA-N 294.822 4.778 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)C1(C)CCC2(CC2)CC1 2284179094 FUYFKHKTLNRZGD-INIZCTEOSA-N 273.464 4.670 30 10 CJEE CC(C)[C@H]1CCSC(=Nc2cccc(C(C)(C)C)c2)N1 2285715922 NDEGOLITFJPPOT-OAHLLOKOSA-N 290.476 4.723 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)[C@@H](O)c1cscc1C 2287381720 ZUSYNEFTGGCODZ-SJORKVTESA-N 295.492 4.595 30 10 CJEE C=C(C)CCCC[C@@H](CC[C@@H]1CCCCO1)NCCC 2287409078 PVRXWVZWYWCKHV-ROUUACIJSA-N 281.484 4.840 30 10 CJEE CCCCCC#CC[C@H](NCC)[C@@]12CCCC[C@H]1CC2 2288980295 UKTXNUBLYAKYLI-GBESFXJTSA-N 275.480 4.909 30 10 CJEE CCCCCCC[C@](C)(N)Cc1ccc(C)c(F)c1F 2289638528 NGTFZRSAICNBOX-KRWDZBQOSA-N 283.406 4.894 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@H]1CC[C@@H](CC)C1 2289701933 AIGNEWVDKVWZJB-BHIYHBOVSA-N 275.480 4.765 30 10 CJEE CC(C)(C)CC1CC(C[C@@]2(C#N)CCC(C)(C)C2=O)C1 2290109342 AXCIKEKBKMCTFS-WTNGLUPJSA-N 275.436 4.738 30 10 CJEE CCCCCCC[C@](C)(CCC(C)(F)F)OCC(=O)O 2291089744 SEYDXXNCTPMPCJ-CQSZACIVSA-N 294.382 4.642 30 10 CJEE CCCCCCCC[C@@H](OCC(=O)O)C1CCCCC1 2291573496 NXISFUCXUDZKHE-MRXNPFEDSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@]1(OCC(=O)O)CCC[C@H](CC)C1 2291746537 AYSDOFQNKDCDLY-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)C(F)(F)F 2291774607 FFGMKRZYSOPAGV-ZDUSSCGKSA-N 298.345 4.549 30 10 CJEE C=CCCCCC[C@H](OCCN)c1cccc(SC)c1 2292902913 MZANPCQFYHYBNO-KRWDZBQOSA-N 293.476 4.561 30 10 CJEE CCCCCCC[C@](C)(CC1CC(C)C1)OCCCN 2293945014 DKGLUGGEIPZNAE-DAWZGUTISA-N 283.500 4.907 30 10 CJEE CCCC[C@H](CC)[C@@H](C#Cc1ccccc1Cl)NCC 2295211040 FXWGNJHKTQYBLY-MAUKXSAKSA-N 291.866 4.886 30 10 CJEE CCCCCCCCC[C@@H](C)N1C[C@@H](N)CC(C)(C)C1 2295540533 HYYTZMXWEMCZDK-SJORKVTESA-N 282.516 4.575 30 10 CJEE CCCCCCC[C@@](C)(O)CC1(COC)CC(F)(F)C1 2295637764 VNDOHPQQELESMZ-CQSZACIVSA-N 292.410 4.550 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H]1CC[C@@H](C)CO1 2295686269 HBIJIKDZGMOLFY-FGTMMUONSA-N 283.500 4.920 30 10 CJEE CCCCCCS[C@@H]1CC2(CCC2)C[C@](C#N)(NC)C1 2295693272 DIDWGTGZFRPYNO-NVXWUHKLSA-N 294.508 4.504 30 10 CJEE CCCC[C@H](CC)CSC[C@](C#N)(NCC)C(C)(C)C 2295763793 MGJGNHLMBWXYGL-RDJZCZTQSA-N 298.540 4.854 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc2scnc2c1 2296087212 ZPWMJFFDPFOGES-AWEZNQCLSA-N 291.464 4.551 30 10 CJEE C=CCC(CC=C)C(=O)c1ccc(C)cc1Br 2301011556 YLRBJTKIXBBDJA-UHFFFAOYSA-N 293.204 4.709 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)ccc1F 2304133024 UFBVTBXBYILOJS-UONOGXRCSA-N 256.748 4.505 30 10 CJEE Cc1ccc(OC[C@@H](CS)CC(C)C)c(Cl)c1 2308053771 ONAFSROQXPGUPN-LBPRGKRZSA-N 272.841 4.619 30 10 CJEE CCCCCCCCCNC[C@H]1CCC[C@@H]2C[C@H]12 2308631402 FRFMQFKMLKMRRN-ZACQAIPSSA-N 251.458 4.763 30 10 CJEE C=CC[C@H](C)S[C@H]1C[C@@H](NCCC)CC(C)(C)C1 2313644589 JIBKGTJTEDTYHP-ZNMIVQPWSA-N 269.498 4.631 30 10 CJEE C=CC[C@@H](C)Sc1cc(C)ccc1CNCCC 2313696154 SHBCSJRUFJQQFS-CQSZACIVSA-N 263.450 4.551 30 10 CJEE C=CCC(CC=C)Sc1ccc(Cl)c(C(=O)O)c1 2316744362 NKNFDUYZKZBTJP-UHFFFAOYSA-N 282.792 4.651 30 10 CJEE CCCCCCCC[C@@H]1C[C@H]2CCCC[C@H]2CN1 2319780545 XSRQCWLLHYAYMC-IXDOHACOSA-N 251.458 4.905 30 10 CJEE CC(C)(C)[C@@](C)(CS)COC1C[C@H]2CC[C@H](C1)C2 2327115500 LHUZDLADELMSKM-HEHGZKQESA-N 270.482 4.564 30 10 CJEE CCCCCCCC[C@@H](NC)[C@H]1[C@@H]2CCC(F)(F)[C@@H]21 2330172739 ZNUIUQBDRKENIQ-YJNKXOJESA-N 273.411 4.616 30 10 CJEE CCCCCCC[C@@](C)(N)C[C@@H]1CC[C@H](COC)C1 2331332322 KHCGQHYIOQJLOL-IXDOHACOSA-N 269.473 4.517 30 10 CJEE C=C1CC(C[C@@H](NC)[C@@H]2C[C@H]2C2CCCCCC2)C1 2332723011 JFSOFSFKNKXCSJ-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1CC[C@H]1C(F)(F)F)NCCC 2333471762 HFEXNIWKRUMCKL-ZOBORPQBSA-N 277.374 4.545 30 10 CJEE C=CCC(CC=C)S[C@H](CC)[C@H](N)c1ccccc1 2335096992 SQBXMHUZEHRLMR-IAGOWNOFSA-N 275.461 4.719 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(F)c(C)c2Cl)CC1 2338769264 VPRSGIZPAJHBNJ-OAHLLOKOSA-N 281.802 4.924 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2cccc(C3CCC3)c2)C1 2343802911 XHCMRMBUQNZQFG-RDTXWAMCSA-N 256.389 4.502 30 10 CJEE C=C[C@@H](C)N(C)[C@@H](CC)c1ccc(C(F)(F)F)cc1 2343887501 OJNLYEGJMCFUCX-RISCZKNCSA-N 271.326 4.663 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)c1cccc(C(F)F)c1F 2344341865 FPZLKDSOKAHMIT-HIFRSBDPSA-N 271.326 4.756 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC(C2CCC2)C1)NCCC 2344357457 RFQXLRXUNQZXMP-HRSCSKTISA-N 263.469 4.783 30 10 CJEE C=CCCCCCCCSc1ccnc(Cl)c1CO 2344739171 BESJQIKATALHCW-UHFFFAOYSA-N 299.867 4.846 30 10 CJEE CSc1cc(Nc2cccc(Cl)c2F)ccc1C#N 2353830812 FQUHYEBSYMRYJU-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE Cc1cc(COC(CC(C)C)CC(C)C)ccc1C#N 2360307373 ZFVBLLIGZYIVAM-UHFFFAOYSA-N 273.420 4.844 30 10 CJEE Cc1ccccc1[C@@H](C)Nc1ccc(C#N)c(Cl)c1 37393246 JZEGEDYCJNWNSP-GFCCVEGCSA-N 270.763 4.693 30 10 CJEE CCCCCC[C@H](C#N)Nc1ccccc1Br 37938375 PNKLTJJUJCJUCI-GFCCVEGCSA-N 295.224 4.724 30 10 CJEE CCC[C@H](C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 50039108 ADWCNZUGVGLSKM-GXSJLCMTSA-N 284.186 4.606 30 10 CJEE N#Cc1cc(NCc2ccc(Cl)cc2Cl)ccc1F 51635183 OLMJFNSQKDCXPT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE N#C[C@H](Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 57736970 GMWDRYQCOULWRP-LBPRGKRZSA-N 294.156 4.982 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Cc2ccc(N(C)C)cc2)c(C)c1 57759474 CEXQJKSNXXZPKL-GOSISDBHSA-N 292.426 4.528 30 10 CJEE CCCCCCCCO[C@H]1CCCCC[C@H]1C#N 59187928 HEJVMSAPZZVDLQ-HOTGVXAUSA-N 251.414 4.836 30 10 CJEE CCCCCCCC(=O)c1cc(OC)c(OC)cc1Cl 59211604 WIYCDCYRFHBRHP-UHFFFAOYSA-N 298.810 4.900 30 10 CJEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc(C)o1 59427079 ORMWLRBWCQKIEW-UKRRQHHQSA-N 251.414 4.988 30 10 CJEE CC[C@H]1CCCC[C@H]1Nc1ccc(C(C)(C)C#N)cc1 71159263 XIDQMLOUELDQPD-WMLDXEAASA-N 270.420 4.868 30 10 CJEE CC1(C)CCCC[C@]1(C#N)Nc1ccc(Cl)cc1 94281610 HHBWKCCWRSKIDO-OAHLLOKOSA-N 262.784 4.614 30 10 CJEE N#CC[C@@H](Sc1cc2ccccc2[nH]1)c1ccccc1 94629354 ANPLOIDMHPYNEY-MRXNPFEDSA-N 278.380 4.915 30 10 CJEE CC#CCC[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 97417524 TVSICEVLAYDIDD-YMAMQOFZSA-N 289.385 4.527 30 10 CJEE Cc1ccc(C(=O)/C=C\Nc2cccc(Cl)c2)c(C)c1 103028707 ALEJNOMPZOWMQF-HJWRWDBZSA-N 285.774 4.765 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1cccc(C)c1 109780147 ZAIOBKYSMUEHDA-KRWDZBQOSA-N 263.425 4.518 30 10 CJEE CCCc1ccc([C@H](C)Nc2cc(C#N)ccc2C)cc1 109945389 YGGTZGCIZQNKSB-HNNXBMFYSA-N 278.399 4.992 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](N(C)Cc2cccc(C)c2)C1 110263470 PGPRSSVCZJIDQO-QXAKKESOSA-N 284.447 4.535 30 10 CJEE CCCCCCCCCCCC[C@H](O)COCC 115249198 BKMOMDQOWDGGSK-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCC[C@@H](C)NCC1(O)CCC(C)(C)CC1 115636560 IUGIWTIUBPNIDU-MRXNPFEDSA-N 283.500 4.656 30 10 CJEE CCCCCCCCCC(=O)Nc1ccc(O)c(F)c1 115858579 FQAOZRGYRWVJLX-UHFFFAOYSA-N 281.371 4.611 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C)cc(F)c1 122597252 SPCIGIXEMSVOGC-MRXNPFEDSA-N 252.373 4.918 30 10 CJEE CC(C)(C)c1ccccc1Nc1cc(C#N)cc(Cl)n1 122811675 GYKSUDMDERCWHN-UHFFFAOYSA-N 285.778 4.648 30 10 CJEE CCCCCCC[C@@H](O)c1ccc2cccnc2c1 123233643 CWKZOHHCHMFFFS-QGZVFWFLSA-N 257.377 4.629 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](N)[C@H](C)C1 124836869 IJBGHBQQVWFMDW-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCCn1c(S)nc2cnccc21 129437443 CJRLQIZEYQKMHA-UHFFFAOYSA-N 291.464 4.861 30 10 CJEE O=C(C1=CCCCCC1)c1ccc(OC(F)(F)F)cc1 131146269 ZHOFSSBRDJTBOO-UHFFFAOYSA-N 284.277 4.658 30 10 CJEE CCCCCCCCCC[C@H](C[C@H](C)OC)NC 134464938 ZOKLVBIMJJLPBI-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE CCC(CC)(CS)COc1ccc(Cl)c(F)c1 147859364 IWOQZFHNTYFVHD-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCCCCCCCC[C@@H](N)CC[C@@H]1CCCCO1 157878324 YAIHJONHMWQIGZ-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H](OCC)C1CC1 158240656 DHFHIHUVLYUWAM-DLBZAZTESA-N 269.473 4.530 30 10 CJEE CC#CCC[C@@H](O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 158511035 HSUOIULKBBFQJP-KVMJBUIKSA-N 274.448 4.538 30 10 CJEE CCCCCCCCC(=O)c1sccc1OC 161735729 MVQGUADGVSTHIB-UHFFFAOYSA-N 254.395 4.690 30 10 CJEE CCCCN(Cc1ccc(C#N)cc1Cl)[C@H](C)CC 162890186 RROVXRIHNFYONH-CYBMUJFWSA-N 278.827 4.612 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@](C)(CC)OC 163642436 ZGDASVZOHSTFSO-SJORKVTESA-N 271.489 4.920 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@](C)(O)c2cccc(Cl)c2)C1 218233272 RICNMLFXPJIQSD-COXVUDFISA-N 291.822 4.658 30 10 CJEE N#Cc1ccc(NCCC2=CCCC2)c2ccccc12 228667835 WKCLHGALJYRNLW-UHFFFAOYSA-N 262.356 4.624 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc2c(c1)CCC2 229757574 WXEAHPBYHGCJSQ-SFHVURJKSA-N 257.421 4.572 30 10 CJEE CCCCCCCCCC[C@@H](N)c1ccnc(C)c1 232941298 OYDNGJWRCYQBEF-QGZVFWFLSA-N 262.441 4.921 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)[C@@H](C)CCC 232972405 IOLPSXRTNCJARY-DLBZAZTESA-N 270.505 4.575 30 10 CJEE C=CCCCCC[C@@H](O)c1cc(C)ccc1Br 235767857 PIQDFHBCCGCUFM-OAHLLOKOSA-N 297.236 4.927 30 10 CJEE Cc1cc(Cl)ccc1CNc1cc(C#N)cc(F)c1C 235797438 AIESUAAFHSBJNY-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C)CC[C@H]1CNCC(C)C 251217349 LSJNDHMBICVGDB-IXDOHACOSA-N 251.458 4.641 30 10 CJEE CCCCCCCCOc1cc(C)ccc1C(C)=NO 252453585 OIKMZITZRJYWAI-UHFFFAOYSA-N 277.408 4.933 30 10 CJEE CCCCCCC[C@H](C)N(C[C@H]1CCCCN1)C(C)C 300192394 CRIYHDXPEYCHDO-ZWKOTPCHSA-N 282.516 4.588 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2sccc2Cl)C1 304531750 IVISUUMNBYOQQM-GXFFZTMASA-N 253.798 4.664 30 10 CJEE CCCC1CCC(C#N)(c2ccc(C(F)F)cn2)CC1 312320324 RTGTZJGPAQXPPZ-UHFFFAOYSA-N 278.346 4.771 30 10 CJEE C=CCCCCCCN[C@@H](CC)c1ccc(OC)cc1 312377883 DNEUCKYRMUOGDL-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCCCCC[C@@](C)(CNC(C)(C)C)OC(C)C 316563506 QIESJFHIDCYOGA-KRWDZBQOSA-N 271.489 4.919 30 10 CJEE C=CCCC1(CNC2CC2)CCC(C(C)(C)C)CC1 318178207 KIKLXSIMWSLTHP-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCN[C@H]1CCC[C@@H](C(C)C)C1 384960328 IDAFOGXVXKVPOM-SJORKVTESA-N 251.458 4.927 30 10 CJEE Cc1c(Cl)ccc([N+](=O)[O-])c1[C@@]1(C#N)CCCC[C@@H]1C 384996132 LISJSUDUUGLTMZ-ZUZCIYMTSA-N 292.766 4.528 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@H]1CCC[C@@H](CC)C1 387638643 WPTSGYWGQIDYLK-SQNIBIBYSA-N 281.484 4.552 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)C12CC3CC(CC(C3)C1)C2 393809209 YWODINZJUZZNAB-IXRCJPEJSA-N 261.453 4.536 30 10 CJEE CC[C@@H]1CC[C@H](CNC2CC2)[C@H](CC#CC(C)(C)C)C1 394460541 QVCNQYXCJFCUBB-BRWVUGGUSA-N 275.480 4.621 30 10 CJEE CCCCCCCCC[C@@](C)(F)C[C@@H]1CCCN1 395758711 BQATXRRXTPPNRC-JKSUJKDBSA-N 257.437 4.997 30 10 CJEE C=CCCC[C@H](C)NCc1cc(Cl)ccc1Cl 398071691 AFSVDUTYRWXLRR-NSHDSACASA-N 272.219 4.828 30 10 CJEE CC[C@@H](C)c1ccc(OCC2(C#N)CCCC2)cc1 405215910 HRXAVHYUAQFYEN-CQSZACIVSA-N 257.377 4.663 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N(Cc1cccc(Cl)c1)C(C)C 464450309 WCFTWOJCKXHHBU-CQSZACIVSA-N 293.838 4.679 30 10 CJEE N#CCc1cc(-c2c(Cl)cccc2Cl)ccc1F 514262674 WDHHNJZYEVMENO-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1CCC[C@@H](OC)C1 686351163 YSBZMNLSWQJEQT-BBWFWOEESA-N 269.473 4.660 30 10 CJEE C#CCCCCC[C@@H](CC(C)(C)CC)NCCC 686693970 SEYCEQLKVBEWQY-INIZCTEOSA-N 251.458 4.765 30 10 CJEE CCCCCCCCCCCC[C@H]1COC[C@H]1NC 687997806 QLFOTUACCLXXJZ-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CN(Cc1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 690470894 PUFRGQXREDJRPS-UHFFFAOYSA-N 297.229 4.652 30 10 CJEE CCCCCC(CCCCC)Nc1ccc(C#N)nc1 690512285 KYJVHWJVQSXYRP-UHFFFAOYSA-N 273.424 4.894 30 10 CJEE Cc1ccc(-c2sc(C#N)c(N)c2C)cc1C(F)(F)F 693292201 ZPPGZQLZNWWHPA-UHFFFAOYSA-N 296.317 4.505 30 10 CJEE CCCCCCCOC[C@H](NCC)c1cccc(Cl)c1 709511708 GFUFUMIUIOFDNS-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE C=C(Cl)C[C@@H](NCC)c1cccc(C(F)(F)F)c1F 710495578 OLUKZTZNYBYCQH-LLVKDONJSA-N 295.707 4.638 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1(c2ccccc2)CCC1 710593727 XCUWEEODQRNHSK-MRXNPFEDSA-N 277.839 4.619 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CCCC[C@H]21 712510987 UHCYUTZDYXOGGI-IIAWOOMASA-N 273.445 4.955 30 10 CJEE CCCCCCCCC[C@H](O)CC(C)(C)COC 712641689 BOOYLPZOAFFSLR-HNNXBMFYSA-N 258.446 4.551 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc2ccsc12 715720140 LOCCDMJCYMYBFQ-DOMZBBRYSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)C)CC[C@H]1CNC(C)C 715796873 QISXKXQVSNCEFI-MHORFTMASA-N 265.485 4.885 30 10 CJEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 715798948 MMFVYAIRQIJWFR-ABAIWWIYSA-N 286.246 4.726 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCC3(CCC3)CO2)C1 716347465 WAAHHVFXHCLRJN-JFIYKMOQSA-N 275.436 4.836 30 10 CJEE C=CCCC(C)(C)Nc1nc(CCC)nc(Cl)c1C 717607973 FEEDTAWTGUOXRE-UHFFFAOYSA-N 281.831 4.548 30 10 CJEE CC[C@](C#N)(CC1CCCCC1)Nc1ccc(F)cc1 720350126 OKBSUTNXFQXCOH-QGZVFWFLSA-N 274.383 4.880 30 10 CJEE CCCC1CCC(C#N)(Cc2scnc2Cl)CC1 721151135 NOSJLUMDSMZSTL-UHFFFAOYSA-N 282.840 4.839 30 10 CJEE C=C1CCC(C[C@H](O)c2cc3c(s2)CCSC3)CC1 724560381 VVLQFBGYYQMRGB-AWEZNQCLSA-N 294.485 4.707 30 10 CJEE C=C1CCC(C[C@@H](O)c2cc(Br)oc2C)CC1 724578433 YBJYXGSYDBHLIM-CYBMUJFWSA-N 299.208 4.520 30 10 CJEE Cc1cc(C#Cc2ccc(C(F)(F)F)cc2)ccc1F 725397646 HZAMNBNXRSYTEW-UHFFFAOYSA-N 278.248 4.553 30 10 CJEE C#C[C@@H](NCc1cscc1Cl)c1ccc(Cl)cc1 811517053 GYMAGPFVDYFHPZ-CQSZACIVSA-N 296.222 4.519 30 10 CJEE C=CCC[C@H](NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccco1 846186629 YUXKCHYBPZIWSH-QEJZJMRPSA-N 285.790 4.581 30 10 CJEE Cc1c(C=Nc2ccc(Cl)cc2O)c2ccccc2n1C 1083911786 TUBPFVQYSMSJCU-UHFFFAOYSA-N 298.773 4.596 30 10 CJEE C=CCC[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccccc1 1127302809 URVZTDTUTRUSSI-IAGOWNOFSA-N 285.431 4.636 30 10 CJEE C=CC[C@H](C(=O)OCc1ccc(F)cc1C)c1ccccc1 1127468090 AIIGXRYTJDQOEK-SFHVURJKSA-N 298.357 4.537 30 10 CJEE C=C(C)[C@H](NCCC1CCCC1)c1ccc(F)c(F)c1 1169471766 AXBWWNJDTANZSS-KRWDZBQOSA-N 279.374 4.752 30 10 CJEE CCCCCCCCN1CCC[C@H]1c1nccs1 1201840371 VLQNZOYNSVNYNK-AWEZNQCLSA-N 266.454 4.641 30 10 CJEE C=CCCCCCCNCc1cc(F)cc2cccnc12 1202349742 FPTJDEMBGZEGDF-UHFFFAOYSA-N 286.394 4.600 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2c1 1205875228 HQQYHNWRFYPQFK-GDBMZVCRSA-N 264.372 4.643 30 10 CJEE C=C(C)CCOc1cc(C(F)(F)F)ccc1Cl 1307267587 IBYYOWDWLQZKJE-UHFFFAOYSA-N 264.674 4.704 30 10 CJEE C=CCC[C@H](C)NCCSc1c(C)[nH]c2ccccc12 1308986560 OEHNFYNDOWFWKZ-ZDUSSCGKSA-N 288.460 4.513 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(CC(C)C)cc1 1310418921 YNXIWHAMBQHDME-HDICACEKSA-N 298.430 4.600 30 10 CJEE C=CC(C)(C)CC(=O)Oc1cc(Cl)cc(Cl)c1 1347800590 QBIYJALIYAGQAK-UHFFFAOYSA-N 273.159 4.501 30 10 CJEE C=CCN(CC=C)C(=O)[C@@H](CCC)CC1CCCCC1 1352303147 ZYEDYSUECQNUFX-KRWDZBQOSA-N 277.452 4.574 30 10 CJEE C=CC(C)(C)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 1356157859 IBDPTHZAGKCMRZ-UHFFFAOYSA-N 295.382 4.938 30 10 CJEE C=CCC1(C(=O)Oc2ccc(F)cc2C)CCCCC1 1435594219 JWLWGIOZGXAERP-UHFFFAOYSA-N 276.351 4.566 30 10 CJEE C=CCC(CC=C)C(=O)N[C@H](c1cccc(C)c1)C(C)C 1438250922 ABSJRXQTAWFTMC-SFHVURJKSA-N 285.431 4.577 30 10 CJEE C=CC1CCN([C@@H](C)c2cc(Cl)ccc2Cl)CC1 1459493200 VFHYJABQQXNEJF-NSHDSACASA-N 284.230 4.952 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(N(C)C(=O)CC)cc1 1462545668 IQBUJMKEBTVWEK-HNNXBMFYSA-N 288.435 4.606 30 10 CJEE C=CC[C@H]1CCN1C(=O)[C@@](C)(CC)CCCCCC 1472260724 DFMDSOKGTFTFSH-RDJZCZTQSA-N 265.441 4.550 30 10 CJEE C#CCCCCCCN1CCC[C@H]1c1ccc(F)cc1F 1473548864 YEQQFZDVEZAJQG-SFHVURJKSA-N 291.385 4.685 30 10 CJEE C=CCN(Cc1ccccc1)Cc1ccc(F)c(Cl)c1 1474333837 DPROAEOAFSJUMI-UHFFFAOYSA-N 289.781 4.667 30 10 CJEE C#C[C@H](N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C 1474563496 QPQPPARHTNJCLK-CZXHOFHRSA-N 295.879 4.531 30 10 CJEE C=CC[C@@H]1CCCN([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 1474618758 BCYNXFBOXXOKTR-YZGWKJHDSA-N 283.459 4.785 30 10 CJEE C=CCC1(CNC(=O)[C@@H](F)CC2CCCCC2)CCCC1 1525699115 GRDAGJZTVQQGFA-INIZCTEOSA-N 295.442 4.548 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(-c2ccccc2)cc1 1530987085 NSNZTQYLRKSFCX-HNNXBMFYSA-N 280.367 4.861 30 10 CJEE C=CCN(C(=O)c1cc2c(C)cccc2o1)c1ccccc1 1532545434 QEOPDRDGZOTTOI-UHFFFAOYSA-N 291.350 4.574 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC)Cc1ccc2ccccc2c1 1534974029 XJYMUMSIMPFQDB-INIZCTEOSA-N 295.426 4.791 30 10 CJEE C=CCC1(C(=O)NCCCCC2CCCC2)CCCCC1 1539321568 KMLVWEDASPJUKZ-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C=C(CC)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 1559363208 JLOZGPDAXQUGQV-UHFFFAOYSA-N 283.327 4.607 30 10 CJEE C#C[C@@H](N[C@@H](CC)CC1CCCCC1)c1ccc(F)cc1 1560852773 MGALLZNPVRGFSY-RBUKOAKNSA-N 287.422 4.839 30 10 CJEE C=CCC[C@@H](NC(=O)c1sccc1CC)c1ccccc1 1583038746 XIULWOJTCCHENP-MRXNPFEDSA-N 299.439 4.748 30 10 CJEE C=CC(C)(C)CC(=O)N(CC(C)C)c1ccc(C)cc1 1584189210 MBIITCCAOCUTJR-UHFFFAOYSA-N 273.420 4.586 30 10 CJEE C=C(C)c1cccc(NCc2nccc3ccccc23)c1 1621097144 RBEKCSQFPHBUPG-UHFFFAOYSA-N 274.367 4.880 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)c1cc(F)ccc1N(C)C 1621574318 JTZDQNJIBXKDFN-HOCLYGCPSA-N 292.442 4.677 30 10 CJEE C=C[C@@H](C(=O)N(C)CCCC(CC)CC)c1ccccc1 1647805733 LQRSVNQAFYIICF-GOSISDBHSA-N 287.447 4.631 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccc(C)cc2)o1 1651008369 IMJLROGTLIWACO-MRXNPFEDSA-N 269.388 4.699 30 10 CJEE C=C(C)c1cccc(NCc2csc(C(C)C)n2)c1 1651651114 AUOHNBDDRAHMBL-UHFFFAOYSA-N 272.417 4.912 30 10 CJEE C=CCC[C@H](C)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 1653003697 TUUVKMGTFAKGRX-XKQJLSEDSA-N 293.838 4.504 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H](C)c1cccc(F)c1 1653202358 HZTLTEFPFLJDPG-AWEZNQCLSA-N 287.353 4.714 30 10 CJEE C=CCCCCCN(CC1CC1)c1cccc(F)c1 1654515995 ZGTMOSCEWPSTDY-UHFFFAOYSA-N 261.384 4.789 30 10 CJEE C=CCCCCC[C@H](C)NCC[C@@H]1CCCC1(F)F 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2238016056 RIIDTLKUMSMPDZ-KRWDZBQOSA-N 295.854 4.672 30 10 CJEE CCCCCCCCOC[C@@H]1CC[C@@H]1CN[C@H](C)CC 2238500369 VZNPDKYDHVAUQQ-KURKYZTESA-N 283.500 4.778 30 10 CJEE C=C1CCC(C[C@H](O)C2(C)CC3(CC(F)(F)C3)C2)CC1 2238787287 VKHFIFFJKRYJSZ-AWEZNQCLSA-N 284.390 4.699 30 10 CJEE C#CCC1(NC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 2238881078 QKPYSJVHOPWXIV-FGTMMUONSA-N 273.464 4.519 30 10 CJEE CCCCCCCCCO[C@H]1[C@H]2CCC[C@H]2C[C@H]1NC 2239447959 FCOUBRJPGNBCMJ-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCO[C@H]1CCN[C@@H](C(C)(F)F)C1 2239458146 YGDILWQUPXTJMZ-LSDHHAIUSA-N 291.426 4.529 30 10 CJEE CCCCCCCCCOc1csc([C@H](C)NCC)n1 2239537145 IPYYJSGHGVAZGN-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCCCCCCCCOCCCCCC(=O)OCC 2239545214 WZZLQKVLNADPRJ-UHFFFAOYSA-N 286.456 4.877 30 10 CJEE CCCCCCCCCCCOC[C@@]1(F)CCCNC1 2239548650 FSUBIIZWKHDXLK-QGZVFWFLSA-N 287.463 4.626 30 10 CJEE N#CC1(C[S@@](=O)CCCCCCCC2CC2)CCCC1 2239552197 KPNQPAFYPJJQKF-FQEVSTJZSA-N 295.492 4.570 30 10 CJEE C=CCCCCCCCC[C@H](N)c1cnc(OCC)s1 2239810288 WCBJRWOCONXSMG-AWEZNQCLSA-N 296.480 4.848 30 10 CJEE CC(C)(C#N)CCCCO[C@@H]1CCC[C@@H](C(F)(F)F)C1 2239946577 GSHHJCDMLBFHDT-CHWSQXEVSA-N 291.357 4.844 30 10 CJEE O=C[C@]1(Cc2ccc(C3CC3)cc2)CCCC(F)(F)C1 2240249676 MGXFISNNVSUSQD-INIZCTEOSA-N 278.342 4.501 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]1(O)CCCC[C@@H]1C 2240665266 BFUBSQPPNQDMLK-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1csc(C)c1 2240667649 YJPBJHAVQGJZDG-DLBZAZTESA-N 297.508 4.819 30 10 CJEE C=CCCSCc1cc2ccccc2nc1Cl 2250058981 CKUSIWIXGOWKQJ-UHFFFAOYSA-N 263.793 4.698 30 10 CJEE C=C(C)CCCC[C@H](O)c1ccc(SC)cc1 2250163774 ILUTZVHQABZKEA-HNNXBMFYSA-N 250.407 4.578 30 10 CJEE C=C(C)CCCC[C@@H](N)CSC1CCCCC1 2250181031 IGKUSMSHQWHSBC-CQSZACIVSA-N 255.471 4.516 30 10 CJEE CN[C@H](C#CC1CCCC1)c1cc(Cl)c(Cl)s1 2251472940 AXUGTJCFNZUSIY-LLVKDONJSA-N 288.243 4.509 30 10 CJEE C#CC[C@@H](CSC[C@@H](CC)CCCC)C1CC1 2252957385 VRNWLGKVXONUNO-HOCLYGCPSA-N 252.467 4.986 30 10 CJEE C=CCCCCc1sc(CNC(C)C)c(C)c1C 2254707604 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2281209256 SSCXNVSTKNTPIR-KRWDZBQOSA-N 280.452 4.948 30 10 CJEE CN(CCCCC(C)(C)C#N)CC[C@@H]1CCCC12CC2 2281366821 ZIZBFQDBABYLFG-INIZCTEOSA-N 276.468 4.609 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@H]1CC[C@H](C)S1 2284165074 BFZANUHBYRKRSO-GVDBMIGSSA-N 293.520 4.635 30 10 CJEE CC(=O)c1ccc(Oc2cc(Cl)ccc2C#N)cc1C 2285143767 LANVLNIUEUDXRU-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE C=C(C)CCCCOc1cc(Cl)ccc1C[C@H](N)CC 2287407900 BOVZVTZYCOKZCZ-MRXNPFEDSA-N 295.854 4.745 30 10 CJEE C=C(C)CCCC[C@H](N)C1CC2(C1)C(F)(F)C21CCC1 2287409749 YRWRDAWUAZYCPX-BBBYJDLNSA-N 283.406 4.666 30 10 CJEE C=CCCCCCCCC[C@@H](O)CNC1CCCCC1 2288162997 QPUWWFGGYGDEFS-GOSISDBHSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCC[C@@](N)(CC)[C@H](C)CN(C)C 2288828735 KGODTHOHLPYIKQ-MSOLQXFVSA-N 282.516 4.598 30 10 CJEE N=[S@](=O)(CC#CC1CCCC1)CCCCCCC1CC1 2289905862 VROJVKNCPKIXBP-HXUWFJFHSA-N 295.492 4.587 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)c1ccsc1C 2290604146 JXCUGUOEEINJRY-HNNXBMFYSA-N 298.448 4.949 30 10 CJEE C=CCCCC[C@](CCC)(OCCC(=O)O)C(C)(C)C 2291474698 LDFLGGVNJOHTLK-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H]1CCC[C@@H]1C 2293179116 ZNGGYZHRISXMRS-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE C=C([C@H](OCCCN)c1ccc(C)c(Cl)c1)C(C)(C)C 2293348406 MWTHAUOTNQIOMD-INIZCTEOSA-N 295.854 4.657 30 10 CJEE N#CC1(c2ccc(OC(F)F)cc2)CCCCCCC1 2294702438 GFQNGCPDHCPEND-UHFFFAOYSA-N 279.330 4.794 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2ccc3cc(Cl)ccc3n2)C1 2294977302 SJWJIIXZLQVASO-SJKOYZFVSA-N 284.790 4.860 30 10 CJEE CCCCCC#CC[C@H](Cc1ccc(Cl)c(F)c1)NC 2295173331 JTDSILJBSRFEQT-OAHLLOKOSA-N 295.829 4.583 30 10 CJEE CCCCCCCCC[C@@](C)(CN)N(C)C[C@@H](C)CC 2295536253 LVJKRPPJNSHRJP-ROUUACIJSA-N 284.532 4.822 30 10 CJEE CCCCCCCCC[C@H](C)N1CCC(NCC)CC1 2295541127 OZOABRJGBZTXOP-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](N)[C@H]1C[C@@H](SC)C1 2299402765 FPDSWOYIMNYKBN-ZNMIVQPWSA-N 257.487 4.596 30 10 CJEE N#CC[C@H]1CC[C@@H](c2c(Cl)ccc(Cl)c2Cl)O1 2301310865 GYTMGDRRQXSPEI-XCBNKYQSSA-N 290.577 4.781 30 10 CJEE SCCCCOCCCc1cc(Cl)cc(Cl)c1 2302368295 UUCZJFBTNCHPKV-UHFFFAOYSA-N 293.259 4.653 30 10 CJEE C=CCC(CC=C)C(=O)CSc1cccc(Cl)c1 2316731749 ZEBIYRKZISTFSH-UHFFFAOYSA-N 280.820 4.770 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1cccc(Cl)c1Cl 2316734479 RMVMOMITPOVDTQ-OAHLLOKOSA-N 284.230 4.936 30 10 CJEE Cc1c([C@H]2CCC[C@@H](CC#N)O2)ccc(Cl)c1Cl 2318099467 PFNMFXJOYHHCPC-GXFFZTMASA-N 284.186 4.826 30 10 CJEE C=C1C[C@@H]1[C@@H](NCCC)c1csc2ccccc12 2319261049 LNUFNDJRJOUOPO-XJKSGUPXSA-N 257.402 4.518 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC(F)(F)CC)NCC 2321126712 CNCVBLPHPQHLTG-KBPBESRZSA-N 261.400 4.782 30 10 CJEE CC(=NOCc1cccc(F)c1)c1ccc2c(c1)CCCC2 2330454996 TUTVZPPEFPCJQA-UHFFFAOYSA-N 297.373 4.645 30 10 CJEE C=C(C)C[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCCC1 2332722574 UEKPMXKQEGVFES-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Nc1ccc(F)c(C(F)(F)F)c1 2338660711 RVMMDLYYNTWIHQ-UHFFFAOYSA-N 273.273 4.777 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc(Cl)cc(F)c1F 2338733662 UWFIHHHJYDCZFJ-OAHLLOKOSA-N 285.765 4.647 30 10 CJEE C=CCC(CC=C)[C@@H](CC[C@H]1CC1(C)C)NCCC 2338739939 ALBIVBRWUBRWAY-DLBZAZTESA-N 263.469 4.949 30 10 CJEE CC1(C)C[C@@H]1C#C[C@@H](O)c1cc(-c2cccs2)cs1 2339629106 MAZHMFIBMBOZGR-QWHCGFSZSA-N 288.437 4.560 30 10 CJEE CSc1cccc(NCCCC[C@@H]2C[C@@H]2C)c1C#N 2341409370 LYUWGWRQMOQCLO-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE C[C@H]1CC2CC(CC3(C#N)CCCCCCC3)(C2)O1 2342417768 SLKNDMNWAPZCPB-UQPPLGOBSA-N 261.409 4.588 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NC[C@@H]1CC[C@H]1C(C)(C)C 2343372073 QXUYUDPIOIFGFF-NXOAAHMSSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1ccccc1CSC 2344348244 ITJNWPZLNFRAPK-IRXDYDNUSA-N 277.477 4.803 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC(=C2CC2)C1)NCC 2344349222 QWZZUXCMICQNCV-MSOLQXFVSA-N 261.453 4.847 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc2cnsc12 2344359195 XQGDJOIAOHHRHS-HOTGVXAUSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(CCC)cc1 2344477242 RVXFZYZYXHZZRK-ZWKOTPCHSA-N 260.421 4.535 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(CC2CC2)cc1 2344477639 WDZJLGFFUJIMQI-QZTJIDSGSA-N 258.405 4.665 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1nc2ccccc2[nH]1 2352324278 OHSBBZDXMWVDCX-OAHLLOKOSA-N 294.489 4.637 30 10 CJEE C=C(C(=O)C1CCC(CC(F)(F)F)CC1)[Si](C)(C)C 2353642299 FDEYXOHYXHPSHJ-UHFFFAOYSA-N 292.417 4.748 30 10 CJEE CSc1cc(NC2CCCCCCC2)ccc1C#N 2353833154 ALBPAELADRWCPA-UHFFFAOYSA-N 274.433 4.805 30 10 CJEE CCC1(C)CCC(N(C)C[C@H](CS)CC(C)C)CC1 2353838941 AYMNLNNCOSRVOB-KLAILNCOSA-N 285.541 4.869 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2358665529 HQYWLFOJWMQCGL-QKPAOTATSA-N 286.406 4.945 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC2(CC[C@H]1NCCC)CC2 2360321969 CKBBNDCTJQXWNF-IAGOWNOFSA-N 293.520 4.941 30 10 CJEE Cc1ccsc1[C@@H]1Nc2ccc(C#N)cc2[C@H]2C=CC[C@H]21 13645605 OEDUUOSGYKPLKO-JJRVBVJISA-N 292.407 4.755 30 10 CJEE CN(C1CCCCCC1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 36328574 MYKXMFWMSPYCDT-JFIYKMOQSA-N 290.495 4.996 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 37935545 QWOSRAPBFYFUIF-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE C=CCn1c(C2CC2)nc2ccc(SCCC)cc21 43256520 FZVOGBHLHBABNI-UHFFFAOYSA-N 272.417 4.602 30 10 CJEE Cc1ccc(OCC[C@@](C)(C#N)c2ccccc2)cc1C 57687634 ZWARRQJKHVXKOS-IBGZPJMESA-N 279.383 4.554 30 10 CJEE CCCCCCCCNc1ccc(F)c(F)c1F 59088772 HDAMJQQILKMRHO-UHFFFAOYSA-N 259.315 4.876 30 10 CJEE CCCCCCCCOc1ccc(OC)cc1CNCC 59178641 APEDINOBKISXFR-UHFFFAOYSA-N 293.451 4.544 30 10 CJEE N#Cc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cc1 75914463 RXZLLNQKKWWLRA-UHFFFAOYSA-N 281.208 4.508 30 10 CJEE Cc1ccc(-c2cc(C#N)c(C(C)(C)C)o2)cc1C 77084755 KLWSXLOWOYZTEX-UHFFFAOYSA-N 253.345 4.733 30 10 CJEE N#CCc1cc(-c2c[nH]c3ccccc23)oc1C(F)(F)F 77086587 GNIYOZPGPLGDGZ-UHFFFAOYSA-N 290.244 4.513 30 10 CJEE CCCCCCCCCCNCCc1ccccc1 82214866 UDJJFIWNQGRINB-UHFFFAOYSA-N 261.453 4.959 30 10 CJEE N#CC1(c2ccc(Cl)cc2Cl)CC2(CCC2)C1 86544400 QPMLDAIOFWBRTP-UHFFFAOYSA-N 266.171 4.719 30 10 CJEE CCC1CCC(C#N)(CCc2ccccc2[N+](=O)[O-])CC1 87933630 ZBPGYJYAHJBOQR-UHFFFAOYSA-N 286.375 4.638 30 10 CJEE N#CCC1(CNc2ccc(Oc3ccccc3)cc2)CC1 88249421 JMEQYUGQMHBDML-UHFFFAOYSA-N 278.355 4.585 30 10 CJEE C[C@H]1CCCC[C@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 91876117 DZEHCVNVQQBVQC-HRSCSKTISA-N 277.452 4.674 30 10 CJEE N#C[C@]1(C[C@@H]2Cc3ccccc3S2)CCc2ccccc21 92273630 JUXKEEPZCCYFLP-QFBILLFUSA-N 291.419 4.501 30 10 CJEE SCC1(COc2ccc(Cl)cc2Cl)CCCC1 94582990 OZQRWKBCXUCLAG-UHFFFAOYSA-N 291.243 4.862 30 10 CJEE Cc1ccc(OC[C@H](CS)c2ccccc2)c(Cl)c1 94585141 WJDLEMXBPBKLBI-CQSZACIVSA-N 292.831 4.741 30 10 CJEE Cc1nnc(SCCCCCCCCCS)s1 97800112 GZDLUAJHFLYGOV-UHFFFAOYSA-N 290.523 4.599 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccccc1Cl 103940784 ISBGGICWUJBJKQ-HNNXBMFYSA-N 267.844 4.960 30 10 CJEE CCCCCCCCNCc1cccc(C)c1F 106250779 SPJQUOMFIVQMBG-UHFFFAOYSA-N 251.389 4.584 30 10 CJEE CCC#C[C@H](C)Cc1ccc(OCC(C)C)cc1C 107615649 XZSZJWHFNFXQSB-HNNXBMFYSA-N 258.405 4.622 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OCC)c(C)c1C 107642383 JQDWIZGTROUGCN-ZIAGYGMSSA-N 258.405 4.855 30 10 CJEE CC#C[C@@H](C)[C@H](C)c1ccc(OCCC)c(C)c1C 107643805 UNAUGPOUSCFMIX-KGLIPLIRSA-N 258.405 4.855 30 10 CJEE CCCCCCCCCCOc1ccc(CC(=O)O)cc1 109970712 OWCNGAKAMJRDSJ-UHFFFAOYSA-N 292.419 4.833 30 10 CJEE CCCCCCC[C@@H](CN)N(CC)c1cccc(C)c1 110017025 OLRPRGLITKMWHE-SFHVURJKSA-N 276.468 4.509 30 10 CJEE CCCCCCCCCCN[C@]1(CO)CCC[C@@H](C)C1 110169140 OKIYAQQKRVQHPK-QZTJIDSGSA-N 283.500 4.658 30 10 CJEE CCCCCCCCCC[C@@]1(CNCC)CCOC1 110213355 CYQGFIGIXSZLDS-KRWDZBQOSA-N 269.473 4.533 30 10 CJEE CCCCCCCOc1ccc([C@H](C)N)c(Cl)c1 112735232 CMIXZBXFBSXPGY-LBPRGKRZSA-N 269.816 4.709 30 10 CJEE CCCCCCCN1C[C@](C)(CC)NCC1(CC)CC 114067759 MKACPLFVHGRJGP-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCN[C@@H](CC)c1nccs1 114347460 SZFMACBDMUMURC-AWEZNQCLSA-N 268.470 4.934 30 10 CJEE CCCCCCCCCc1nnc(Br)s1 114576917 YWHDNZGLWVDHCC-UHFFFAOYSA-N 291.258 4.594 30 10 CJEE CCCCCCCC[C@@H](CCc1ccc(C)cc1)NN 122362638 XVOBDVRYBAIVNA-SFHVURJKSA-N 276.468 4.510 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)CCO[C@H]1C 125446016 VSDFVVIWXWWGPZ-ROUUACIJSA-N 283.500 4.920 30 10 CJEE CSc1cccc(NC[C@H]2CCCC[C@@H]2C)c1C#N 127027193 QXQURADCYFLVLM-QWHCGFSZSA-N 274.433 4.518 30 10 CJEE CCCCCCCCC[C@H]1CC[C@H]1CNC1CC1 133632558 UKEKEOBNFRIZTR-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@@H](O)Cc1c(C)cccc1C 134196316 KSAPYUGYASMGGQ-QGZVFWFLSA-N 262.437 4.957 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)nc2ccccc12 139628035 UAIVAWQXAUYXQG-QGZVFWFLSA-N 270.420 4.904 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CSc2ccccc21 140359824 SIQVKMUTKMZGQA-JKSUJKDBSA-N 277.477 4.954 30 10 CJEE CCCCCCCCCC[C@@H](N)c1cc(CC)nn1C 143422661 UKEYKDOVVNCWFF-MRXNPFEDSA-N 279.472 4.513 30 10 CJEE CCCCCCC[C@@H](NCC)c1ncccc1CC 157615379 PLFOUSCFJSNDCM-MRXNPFEDSA-N 262.441 4.655 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 163723345 GAOHGTUQXCAYHG-AWEZNQCLSA-N 295.144 4.809 30 10 CJEE CCCCCCC[C@H](N)c1cccc(OC(F)(F)F)c1 164635722 HGOMWHXALFOTOT-AWEZNQCLSA-N 289.341 4.946 30 10 CJEE CCCCCCCCC(=O)c1occc1Br 168318463 HYQCZIYFSRIDIH-UHFFFAOYSA-N 287.197 4.975 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C1[C@H]2CCC[C@H]12 188066751 YTKPXIBXWPTQMU-HOTGVXAUSA-N 283.415 4.523 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CC 191439083 JWSIUQANNHFDNT-CQSZACIVSA-N 288.435 4.801 30 10 CJEE C=CCCC[C@@H](Cc1cccc(Cl)c1F)NCCC 213972592 BLDPCVBLAUZKEH-AWEZNQCLSA-N 283.818 4.746 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)cs2)C1 222236600 CKQLAPGZJHRFRL-SWHYSGLUSA-N 283.824 4.545 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc2cccnc2c1 229033442 NGXXTDMOBVTGRQ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(C)C[C@@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)C1 230779415 RTMXZYUAKSTQGM-WMLDXEAASA-N 274.383 4.736 30 10 CJEE CCCC(CS)(CCC)COc1ccc(C)nc1CC 232207300 XYJITPLNYUMBGG-UHFFFAOYSA-N 295.492 4.848 30 10 CJEE CCCCCCCCC[C@@H](NC)c1nccs1 232928753 AREGRFVFOAAXPL-CYBMUJFWSA-N 254.443 4.544 30 10 CJEE CCCCCCCCN[C@@H](C)c1cccc(F)c1F 232934584 GPGQKYARYZWUEA-ZDUSSCGKSA-N 269.379 4.976 30 10 CJEE CC1=C[C@H](C)C[C@@H]([C@@H](C#N)Nc2ccccc2Cl)C1 235396346 DLMNYCFDSQVILT-NORZTCDRSA-N 274.795 4.636 30 10 CJEE N#C[C@H](COc1ccc(Cl)cc1)c1ccc(Cl)cc1 247708341 GSYYMAZBRLCJEV-GFCCVEGCSA-N 292.165 4.680 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]2CC[C@H]1C2 252823875 RYYYQIDZPMKKBL-MWDXBVQZSA-N 252.442 4.924 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@H]2CCO[C@@H]2C)C1 300438555 DLZWSEPSWDRRIA-DGXTUMSLSA-N 295.492 4.642 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2CCC(F)(F)C2)C1 305954516 HXCZHGYULHLEBH-MGPQQGTHSA-N 255.352 4.922 30 10 CJEE CCCCCCCCn1c(S)nc2cncc(Cl)c21 311327132 BGVUGVCKUXSODV-UHFFFAOYSA-N 297.855 4.734 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(C)ccc1C 312246187 SQAPBSPVWWTMTC-SFHVURJKSA-N 271.448 4.784 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CCSc2ccccc2)C1 317456018 UNFSEILCNUXFOA-GDBMZVCRSA-N 262.418 4.564 30 10 CJEE C=CCSc1cccc(Cl)c1[C@@H](C)NCCC 379759527 CWBGOPAUFGEJGR-LLVKDONJSA-N 269.841 4.679 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@H]1CCC[C@H](C)C1 381051320 YZDKXIYROHXTOL-ZOBUZTSGSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@@H](O)c1[nH]cc(C)c1C 385428488 KYLXFRPGNNDIQY-OAHLLOKOSA-N 251.414 4.806 30 10 CJEE C=CCCCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 389197601 QLCSMQSHZPRWFF-LBPRGKRZSA-N 280.481 4.756 30 10 CJEE CCCCCCCCCCCCC(=O)CSCCN 389728335 MZULKCVOASLZIL-UHFFFAOYSA-N 287.513 4.558 30 10 CJEE CC(C)[C@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396681517 WVMOHPHNVAWUAB-ZQHYZAEZSA-N 278.245 4.781 30 10 CJEE CC[C@@H](OC[C@H](CS)c1ccccc1)c1ccccc1 403304101 HVTWDWAPJARLRB-QZTJIDSGSA-N 286.440 4.868 30 10 CJEE N#Cc1ccc(-c2cccc(Cl)c2Cl)c(F)c1 514261068 JSBVNVJYIYWGHU-UHFFFAOYSA-N 266.102 4.671 30 10 CJEE Cc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 575340820 KPIWZHOSGDBQSR-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE CCCCCCCCCC(=O)c1cncc(OC)c1C 687667970 MGJUGQYVCJEAJQ-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE CSc1cccc(Nc2cccc(F)c2Cl)c1C#N 690294041 FRODNJBFOXICQQ-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C=CCC1(n2c(S)nc3cc(F)c(C)cc32)CCCC1 690710555 FUNWAFCPNNLZLD-UHFFFAOYSA-N 290.407 4.618 30 10 CJEE CCSc1cccc(N[C@](C)(CC)C2CC2)c1C#N 691610179 WRLGEDITXSDFFU-MRXNPFEDSA-N 274.433 4.661 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C)c(C)c1 692265535 YVNNIAFFPVJMQR-MSOLQXFVSA-N 257.421 4.528 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(CC)CCNCC1 696334300 VGHJGQADTVFYQI-QGZVFWFLSA-N 283.500 4.658 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)CN1c1cccc(Cl)c1C#N 699411163 KOVUEUXAHLJRBH-YVEFUNNKSA-N 288.822 4.617 30 10 CJEE Cc1cccnc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 701358203 LHRUDTBITNQNMY-QLFBSQMISA-N 288.460 4.837 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1CC1(F)F 701928248 IFAWNJONZPOSPC-ZIAGYGMSSA-N 262.384 4.923 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc2cnccc12 702845120 JFDMSFFAENXRQM-SFHVURJKSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@]1(N)CCO[C@@H](C(F)(F)F)C1 704506607 HJIZQEPGCCTSAE-KGLIPLIRSA-N 295.389 4.566 30 10 CJEE CCCCCCCCCC[C@](C)(N)c1cccnc1 705008522 UMLOGRLFIBLEOJ-KRWDZBQOSA-N 262.441 4.786 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2C3CCCC2CCC3)C1 707113710 MRZMRBGYTFUUCI-BNEJOAPWSA-N 274.452 4.502 30 10 CJEE C[C@H](COc1cc(Cl)ccc1C#N)CC(C)(C)C 709233300 FJMJZMQMSQJJGJ-NSHDSACASA-N 265.784 4.663 30 10 CJEE CC[C@H](C)C[C@@H](C)/N=C1/NC2(CCCCCCC2)CS1 713207173 NKZOWAVOTJFVQO-LSDHHAIUSA-N 296.524 4.987 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H]([S@@](=O)CC(C)(C)C)C1 718860257 OPXYEMOOYKVCRG-ZOZBEKFXSA-N 297.508 4.526 30 10 CJEE C[C@H](Oc1ccc(Cl)cc1C#N)C1CCCCC1 719752703 CEHXSOQSDYHSJW-NSHDSACASA-N 263.768 4.559 30 10 CJEE C=C(C)Cn1ccc2cc(OCc3ccccc3)ccc21 720905075 JNPBCVXWHRDFQY-UHFFFAOYSA-N 277.367 4.796 30 10 CJEE CC(C)(C#N)CCCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 723667387 FLLRHWRQZFYOIH-YESZJQIVSA-N 276.468 4.655 30 10 CJEE C=C1CCC(C[C@H](O)C2CCC(CC)CC2)CC1 724542803 QKOJTYXCKWFAKQ-PREGVCBESA-N 250.426 4.700 30 10 CJEE C=C1CCC(C[C@H](NCCC)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 724557266 CPZGTDYMHZYNNB-RDGPPVDQSA-N 275.480 4.927 30 10 CJEE C=C1CCC(C[C@@H](CC(C2CC2)C2CC2)NC)CC1 724559567 MVVCQEDVGXJFPW-KRWDZBQOSA-N 261.453 4.537 30 10 CJEE CCCC1(C/N=C2/N[C@@H](C3CCCC3)CCS2)CCC1 725113778 JDDLFJMRSUHXBS-OAHLLOKOSA-N 294.508 4.598 30 10 CJEE Cc1ccc(C)c(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 1084241728 KJRGGZZAHVJYSU-UHFFFAOYSA-N 288.734 4.616 30 10 CJEE C=CC1(CC(=O)Nc2cccc3ncccc23)CCCCC1 1124122525 UDMIIPLBYUNBMR-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=CCCC[C@@H](NC(=O)c1cscc1C)c1ccccc1 1133168425 WFWGPCCVMADAFW-QGZVFWFLSA-N 299.439 4.884 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2CCC[C@H]2CCC)c1 1134626660 MRKOKXXPSYRMDI-RHSMWYFYSA-N 271.404 4.875 30 10 CJEE C#C[C@@H](NC(=O)C[C@@H](C)CCCCCCCC)C(C)(C)C 1275502575 KIICOBFOKKHTHL-DLBZAZTESA-N 293.495 4.927 30 10 CJEE C=CCCCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 1327798622 SYRYZFYFIRWMIH-UHFFFAOYSA-N 270.376 4.543 30 10 CJEE C=C[C@H](CC(=O)NC[C@H](CC)CCCC)c1ccccc1 1347887084 DZNZJQRAFLTLFW-IAGOWNOFSA-N 287.447 4.679 30 10 CJEE C#Cc1cccc(N(C(=O)[C@H]2CCC(C)=C(C)C2)C(C)C)c1 1435028882 WAIDNINTUUWJEG-SFHVURJKSA-N 295.426 4.546 30 10 CJEE C=CCC[C@H](C(=O)Oc1ccc(C)c(F)c1)c1ccccc1 1459621772 QXTMPNPTGKIJMZ-KRWDZBQOSA-N 298.357 4.790 30 10 CJEE C=C[C@H]1CCCCN1C(=O)[C@H](C)c1cccc(CC(C)C)c1 1459694309 HMJJCKYQMHJPPS-APWZRJJASA-N 299.458 4.556 30 10 CJEE C=CCC[C@@H]1CCCN1CCSc1ccc(Cl)cc1 1460886733 PGOWUCZRMDKWDC-OAHLLOKOSA-N 295.879 4.863 30 10 CJEE C=CC[C@@H]1N(CCc2cccc(Cl)c2)CCCC1(C)C 1462156719 JWUSYIJJAGENKK-KRWDZBQOSA-N 291.866 4.949 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc2ccccc2c1 1465199529 HYQUSZZFHQFGBG-UHFFFAOYSA-N 282.387 4.564 30 10 CJEE C=CCCCCCCCCNC(=O)N1CC(C)(C)C[C@@H]1C 1470384196 GUSJWFZTJRQQMU-INIZCTEOSA-N 294.483 4.733 30 10 CJEE C=C(C)CN[C@H](CC(C)C)c1ccc(Cl)cc1 1473322984 DETKCFWMSWSCRS-OAHLLOKOSA-N 251.801 4.593 30 10 CJEE C=CC1(CC(=O)N[C@]2(C)CCCC[C@H]2C)CCCCC1 1528073576 PNUURZBLLQOVMB-NVXWUHKLSA-N 277.452 4.598 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 1529037394 KSEKXCYFTIBDND-GOSISDBHSA-N 285.431 4.555 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@@H](C)c2cccs2)c1 1563363994 KRDAFHYJQNMWFG-LBPRGKRZSA-N 286.400 4.664 30 10 CJEE C=CCC1(NC(=O)NCC2(CC)CCCCC2)CCCC1 1564518314 XTIJFSILJLBOFO-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)CCCc1ccccc1 1585793288 JXJYGCQRDNXGRN-PKOBYXMFSA-N 299.458 4.603 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21 1586933594 XIDHJYVHOHHCCP-JKSUJKDBSA-N 299.458 4.837 30 10 CJEE C=C[C@@H](OC(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 1587283212 OWKTXPGGNOWJNG-LJQANCHMSA-N 290.362 4.730 30 10 CJEE C=CCC[C@H](NC/C(Cl)=C\Cl)c1ccccc1 1616738811 RISZPHSOYFOCJZ-UELRPHRMSA-N 270.203 4.603 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](CCC)CCc2ccccc2)CC1 1621508936 BZGWRSHJKPYXQX-IHPCNDPISA-N 283.459 4.570 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1C(C)(C)C#N 1643803640 VTCCHNSCILERGR-VQIMIIECSA-N 296.458 4.712 30 10 CJEE C#CCCCCCCSc1ncnc2sc(C)cc12 1643890609 LECFINVMVYQXAH-UHFFFAOYSA-N 290.457 4.676 30 10 CJEE C=CCCCCSCc1ccc(OC)c(Cl)c1 1643908727 QPSLGPDWONHSDS-UHFFFAOYSA-N 270.825 4.938 30 10 CJEE C#Cc1ccc(Nc2cc(C(C)(C)C)nc(C(C)C)n2)cc1 1651501257 UUGFHJRYQWWHAD-UHFFFAOYSA-N 293.414 4.622 30 10 CJEE Cc1cc(SC[C@@H]2CCCC[C@@H]2C)ccc1C#N 1652057983 BIHYTNATYOGPAT-WFASDCNBSA-N 259.418 4.785 30 10 CJEE C=C1CCC(CNc2ncnc3c2oc2ccccc23)CC1 1652209873 WMUPQHHKXHXTRI-UHFFFAOYSA-N 293.370 4.534 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cnn(-c3ccc(C)cc3C)c2)C1 1652218157 AXOFKQDGQDMKSS-IRXDYDNUSA-N 295.430 4.646 30 10 CJEE N#Cc1cc(Cl)ccc1SCC1CC2(CCC2)C1 1652691839 UMSXFHGUKQIPHV-UHFFFAOYSA-N 277.820 4.884 30 10 CJEE C=CCCCCN1CCC[C@@H]1c1cccc(C)c1C 1653423776 QSORWDMCXXOFIC-GOSISDBHSA-N 257.421 4.797 30 10 CJEE C=CCCCCCCNC/C=C\c1cccc(F)c1 1656229036 GMEOLUQBRNOCGO-LUAWRHEFSA-N 261.384 4.565 30 10 CJEE C#CCCCCCCN(Cc1ccccc1)[C@H](C)C1CC1 1656976550 GHQLRKJZAFHUCG-GOSISDBHSA-N 283.459 4.871 30 10 CJEE C=CCC[C@@H](CCC)Nc1cnn(CC(C)C)c1C1CC1 1659915912 BKAUPFIUBBCOJX-MRXNPFEDSA-N 289.467 4.963 30 10 CJEE C=CCCCC[C@@H](C)NC1CCC(OC(C)(C)C)CC1 1660443358 KUFFUOAPMJADKM-KLAILNCOSA-N 281.484 4.837 30 10 CJEE C=CCCC1(CNC2C[C@@H]3CC[C@H](C2)S3)CCCC1 1665233839 SOOBPPWAAYDQSZ-MQVJKMGUSA-N 279.493 4.529 30 10 CJEE C=CCC1(NC(=O)NCCCCC2CCCC2)CCCC1 1679551329 CGQKXKLKHDZPIX-UHFFFAOYSA-N 292.467 4.535 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 1682209184 IIVZHFBSGOYFTN-HZPDHXFCSA-N 294.483 4.637 30 10 CJEE CCCCCCCCCCN1C[C@H]2C(C(F)F)[C@@H]2C1 1883818974 MXCSKUSUKOAOIV-ZIAGYGMSSA-N 273.411 4.570 30 10 CJEE CCCC1CCC(C=O)(CCC[C@@H]2CC2(F)F)CC1 1885540406 GGRHKERQEMSLIW-SHARSMKWSA-N 272.379 4.988 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(C(F)F)cs1 1887473801 BRKCCIQVPRZACT-DGCLKSJQSA-N 285.403 4.776 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC(C)C)CCCCC1(C)C 1887475639 OFTMATWMKSMMTQ-WMZOPIPTSA-N 263.469 4.621 30 10 CJEE C=CCC(CC=C)SC[C@H](CS)C(C)(C)C 1899426411 UITLKFYXSJEHIY-LBPRGKRZSA-N 258.496 4.833 30 10 CJEE C#C[C@@H]1CC[C@@H](N[C@@H](C)c2cc(Cl)sc2Cl)C1 1918804143 BMQMALXTCNBJOX-IVZWLZJFSA-N 288.243 4.507 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](CCC(C)(C)CC)NC 1920810854 HPUCFLUGDAKDAJ-AEFFLSMTSA-N 285.516 4.902 30 10 CJEE CSc1cccc(N2C[C@H](C(C)C)CC[C@H]2C)c1C#N 1924182433 NGUWLYOTOHKJKC-ZIAGYGMSSA-N 288.460 4.541 30 10 CJEE CC(C)C[C@@H](C)[C@H](C)n1c(=S)[nH]c2c(C#N)cccc21 1925023437 YYHSMCAXZDEJMM-NEPJUHHUSA-N 287.432 4.814 30 10 CJEE CCCCCCC[C@]1(F)CCC(C)(C)C[C@H]1CN 1927143276 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297.423 4.869 30 10 CJEE C=CC[C@@H](C)Sc1sccc1CN[C@@H](C)CC 2298929645 AVTCADBEMAPXQO-NWDGAFQWSA-N 269.479 4.693 30 10 CJEE C[C@@H]1C[C@](C#N)(CC2CCCCCC2)CCS1 2301235970 ICNFJOYIXUPOTN-HIFRSBDPSA-N 251.439 4.772 30 10 CJEE CC(C)[C@@H](CS)COCc1cccc(Cl)c1Cl 2301346114 NIKRHAXGOPJLSR-LLVKDONJSA-N 293.259 4.712 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cc(C)cc(Br)c1 2304043638 LRFSGOBFOVNUJD-OAHLLOKOSA-N 295.220 4.933 30 10 CJEE C=CC1(CNCc2ccc(Cl)c(Cl)c2C)CCC1 2316677740 QFKWBZXXZREIAA-UHFFFAOYSA-N 284.230 4.748 30 10 CJEE C#CCCCCCCNCc1ccc(Cl)cc1Cl 2316800698 OHQZFKLUWFGWBY-UHFFFAOYSA-N 284.230 4.667 30 10 CJEE C=C(C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2318605824 SOUVLRMMJAKFJJ-OAHLLOKOSA-N 286.246 4.870 30 10 CJEE CCC(CC)(CS)COCC[C@H]1CC[C@H]1C1CC1 2319619303 FSOMGGHHZFMCOD-CABCVRRESA-N 270.482 4.566 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1cc(F)c(C)cc1Cl 2321097027 XOTKRACCHHVIIS-MEBBXXQBSA-N 269.791 4.650 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(C(F)(F)F)s1 2321101815 MAXHECPVXXJGHR-NWDGAFQWSA-N 277.355 4.759 30 10 CJEE CCCCCCCCC[C@](C)(O)C#CC1(SC)CC1 2336187804 CLQWDSFJKHYPII-INIZCTEOSA-N 282.493 4.777 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1CC 2337099234 RUVGLNMLMODAQH-LESCRADOSA-N 257.421 4.644 30 10 CJEE CC(C)CCC[C@@](C)(O)[C@@]1(C#N)CCCCC1(C)C 2337652324 YKQMLWZLRDWVCB-IAGOWNOFSA-N 265.441 4.674 30 10 CJEE C=CCC(CC=C)[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1 2338724888 LUISTVGNUKNNTK-HFTRVMKXSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)N(C)Cc1cccc(C2CC2)c1 2338730475 QSMRVPHOIFVYDV-UHFFFAOYSA-N 255.405 4.517 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)C(C)(C)C1CCC1 2338732717 LHMSOBOWQJLTFP-QGZVFWFLSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1C[C@H]1C1CCCC1 2338732753 LQZPEKSJMXONBL-RCCFBDPRSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)N(C)CC[C@@H]1CCCCC12CC2 2338736429 UKZFRHYUCKICAI-INIZCTEOSA-N 261.453 4.800 30 10 CJEE C=CCC(CC=C)[C@H](O)c1ccc(C(C)(F)F)cc1 2338740839 IWSOPAKAIRRQRI-HNNXBMFYSA-N 266.331 4.600 30 10 CJEE C=CCC(CC=C)[C@@H](CC(C)(C)C(F)(F)F)NCC 2338743777 IVCLFGIDMQACKY-CYBMUJFWSA-N 277.374 4.712 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(F)cc1C1CC1 2339168363 DEXHCGZVWUPTHJ-ZDUSSCGKSA-N 261.384 4.538 30 10 CJEE O=C[C@]1(CC[C@H]2CC[C@H]2C2CC2)CCCCC12CC2 2342387523 OVMQDMKYNNKWGQ-SOLBZPMBSA-N 260.421 4.742 30 10 CJEE C=C1CC(CC[C@@H]2CC[C@H]2C2CC2)(CNC(C)C)C1 2342553642 DZFCVZXEMLFZQX-IRXDYDNUSA-N 261.453 4.537 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CC1(C=O)CCC(F)(F)CC1 2343335166 QYEYOAFWNVPZJM-CHWSQXEVSA-N 272.379 4.843 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C(C)(F)F)CCC1)NC 2344339442 JIHPOVLFUZTMBC-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CC[C@@H]2CCCC[C@H]2C1)NC 2344382732 YPVCPMZLWZEFSR-ADHGMGHFSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1cccc(OC(C)C)c1 2344422590 YOXJHBAOIKWDMD-QGZVFWFLSA-N 260.377 4.649 30 10 CJEE C=CC[C@@H](C)[C@H](CCC1(C(F)(F)F)CC1)NCCC 2344790557 SEOIFRJCOQNGBY-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CCC1(CC)CCN(CC2(CS)CC(C)(C)C2)CC1 2345011387 RWFVFKPGFWSPDI-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=CCCCCCCCS[C@](C)(CC1CC1)C(=O)O 2351897586 YKHXMVCSIKPHEF-MRXNPFEDSA-N 284.465 4.890 30 10 CJEE C[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@](C)(CS)C(C)(C)C 2352098997 MCUSEQATEDYURH-DLTWYDFYSA-N 283.525 4.622 30 10 CJEE CN(CC1(C)CC(C)(C)C1)C[C@@](C)(CS)C(C)(C)C 2352173386 HDTWTVUISZMXJN-KRWDZBQOSA-N 285.541 4.727 30 10 CJEE CCC[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(SC)c1 2353831576 LIVIEHMWGLCORM-IUODEOHRSA-N 274.433 4.661 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@H]1C[C@H]1C1CCCCC1 2358540990 KNYVOKVBJDRXPS-KSZLIROESA-N 275.480 4.621 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1C[C@H]2CC[C@@H]1C2 2359620335 OPDGGFYMOSIUSQ-MLHJIOFPSA-N 280.500 4.785 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@@H]1C[C@H]1C(C)(C)C 2359892194 ZXVWYWXQDSWMJH-KURKYZTESA-N 275.480 4.621 30 10 CJEE CCCN[C@@](C)(C#N)C[C@H](C)SC[C@H]1CC[C@H](C)CC1 2360506563 MOYVYLIPHSCOBX-LUKYLMHMSA-N 296.524 4.606 30 10 CJEE CCCCCCCCN(C)c1ccc(C)c(Cl)c1CO 2360550166 YKQJSDXCAWDNHB-UHFFFAOYSA-N 297.870 4.937 30 10 CJEE N#Cc1ccccc1N[C@H](CC(F)(F)F)c1ccccc1 37203108 WZWLTKTVQCYFFW-OAHLLOKOSA-N 290.288 4.664 30 10 CJEE C[C@H](Nc1ccc(CC#N)cc1)c1ccc(F)cc1Cl 37301953 LMSOPQOOUPUUSR-NSHDSACASA-N 288.753 4.718 30 10 CJEE Cc1ccccc1[C@H](C#N)C(=O)c1ccc(C(C)C)cc1 37344349 FCFCGZUUZKGZLB-SFHVURJKSA-N 277.367 4.609 30 10 CJEE C=CCSc1ccccc1NCc1ccccc1C 37496219 STTSZQNWJKAPSO-UHFFFAOYSA-N 269.413 4.885 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Cc2cccs2)cc1 41390535 IOPFHDLBDPCQGI-AWEZNQCLSA-N 269.413 4.895 30 10 CJEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1 52857922 UZYDNJUAGZTCMU-SNVBAGLBSA-N 274.726 4.524 30 10 CJEE N#C[C@@H](CCOc1ccc(Cl)cc1)c1cccc(F)c1 57688365 SKYYKVRSDAVINZ-CYBMUJFWSA-N 289.737 4.555 30 10 CJEE CCC(C#N)(CC)CCOc1cc(C)c(C)cc1C 57714758 IVTMUWFSBADZRX-UHFFFAOYSA-N 259.393 4.711 30 10 CJEE CC(C)(C)c1ccc([C@H](C#N)Cc2ccc(C#N)cc2)cc1 57757816 AADQILVITZDDBD-SFHVURJKSA-N 288.394 4.706 30 10 CJEE CSc1ccccc1Oc1cc(C#N)c2ccccc2n1 68796720 XQUQLHHLBPKAKI-UHFFFAOYSA-N 292.363 4.621 30 10 CJEE Cc1sc(-c2cc3ccccc3o2)cc1CC#N 77095910 QIPGNNFAYOUNIT-UHFFFAOYSA-N 253.326 4.536 30 10 CJEE COc1ccccc1N[C@@]1(C#N)CCC[C@@H](C(C)C)CC1 86949225 IIIDRQKJTNSXAK-QAPCUYQASA-N 286.419 4.606 30 10 CJEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(C2CC2)c1 94521316 WVRFZHXLSTWMRZ-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1ccsc1 94579029 FIKJSHRBOPSFRA-UHFFFAOYSA-N 285.522 4.696 30 10 CJEE CC1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 94902793 DLPQKSXYIXESAO-NSHDSACASA-N 296.197 4.750 30 10 CJEE C=C(CC)C[C@@H](NC)C1CCC(C(C)(C)C)CC1 97208889 QVOPZWYJBZYRLK-UYSNPLJNSA-N 251.458 4.783 30 10 CJEE C=CCC[C@H](NCCC)c1cc2cc(C)ccc2o1 97220527 CARAAJPHBYMBKC-HNNXBMFYSA-N 257.377 4.748 30 10 CJEE CCCCCCCCCN1C[C@@H](C)Oc2cc(N)ccc21 104073862 KMEHZUDTJISODA-OAHLLOKOSA-N 290.451 4.607 30 10 CJEE CCCCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1NCC 110081426 NDSYHOCKWGGVOJ-FGTMMUONSA-N 283.500 4.920 30 10 CJEE Cc1cc(Nc2ccc(C#N)c(Cl)c2)c2ccccc2n1 110251962 IELARERMQRPWOZ-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCO1)NCC 110462899 OOZIRCWRCCDMFF-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCCCOCC(C)(C)N 113075075 YMRMUPFVARZZFA-UHFFFAOYSA-N 257.462 4.661 30 10 CJEE CCCCCCCC[C@@H](N)c1cc(F)ccc1F 113316395 LBFZAMVUOJXXCN-OAHLLOKOSA-N 255.352 4.715 30 10 CJEE CCCCCCCCCN1CC2(CCCC2)NCC[C@@H]1C 114078977 BDPDSXWTMOTSAI-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCc1n[nH]c(N)c1-c1ccccc1 115858208 ALGHHSWONGGWHX-UHFFFAOYSA-N 285.435 4.952 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@@H](C)c1ccccn1 118067283 VWQRNLROCYAYHD-IAGOWNOFSA-N 276.468 4.914 30 10 CJEE CCCCCCCCC[C@H](CCC1CCCC1)NN 122234137 SLVANUCRXBVRHU-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H]1CSCCS1 125158127 NBRJALKDTSIJIT-GJZGRUSLSA-N 289.554 4.693 30 10 CJEE CCCCCCC[C@H](CC1CCCCCC1)NN 130033452 UVUSWPXPCPVXOY-MRXNPFEDSA-N 254.462 4.539 30 10 CJEE CCCCCCCCOc1cc(C#N)ccc1C(C)=O 131354096 BHZDHBSDKKEERW-UHFFFAOYSA-N 273.376 4.500 30 10 CJEE CCSc1cccc(N2CCC[C@@H](CC)CC2)c1C#N 136670963 SRJMHPWPTQMNQD-CQSZACIVSA-N 288.460 4.687 30 10 CJEE CC[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 158339955 ZXRJGIOYLLAPOC-GXFFZTMASA-N 282.309 4.568 30 10 CJEE CCCCCCCCNc1ccc(C(F)(F)F)cn1 161079361 GZFCYIYMRJICJW-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE C=CCN(c1ccc([C@@H](C)NCCC)cc1F)C(C)(C)C 162272233 CXUCEPVOXBXFQM-CQSZACIVSA-N 292.442 4.677 30 10 CJEE CCCCCCCCOCc1ccc(CN)cc1Cl 162536311 BHJAMLPYXDNKRN-UHFFFAOYSA-N 283.843 4.676 30 10 CJEE N#Cc1ccc(Cl)c(NCc2cccc(F)c2Cl)c1 166381113 KCSAQKFFTREXLN-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1ccc(N/N=C/c2cccc(OCC(C)C)c2)cc1C 169876793 OUJLIUSRZRXXGG-UDWIEESQSA-N 296.414 4.784 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cncc(C)c1 229005464 QEOCFBOFSWQHJF-QGZVFWFLSA-N 262.441 4.791 30 10 CJEE COc1cc(Nc2ccc(C#N)c(Cl)c2)ccc1Cl 232201960 VNDSJCYOSYBSCZ-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CC(C)[C@@H](Nc1ccc(C#N)c(F)c1F)c1cccs1 232698074 BJFSIBXCNXBLQY-OAHLLOKOSA-N 292.354 4.707 30 10 CJEE CCCCCCCCC[C@@H](CO)Nc1ccccc1 232972956 FDXZKSFCTBSPON-KRWDZBQOSA-N 263.425 4.600 30 10 CJEE Cc1ccc(CN(CCC#N)c2ccccc2)c(Cl)c1 235861962 DYVLGBDXQLMCGF-UHFFFAOYSA-N 284.790 4.569 30 10 CJEE CCC1CCC(N(C)[C@@H]2C[C@H](CC)CC[C@H]2C#N)CC1 251724003 SCFJRGAJHDEDNT-BFYMFYIXSA-N 276.468 4.605 30 10 CJEE C[C@H]1CCCN([C@@](C)(C#N)Cc2ccc(C(C)(C)C)cc2)C1 253619878 ZTEVTAMKHDXJPW-OXJNMPFZSA-N 298.474 4.541 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](C)CC(C)C 304487718 MAFANYNKBNCBHT-CVEARBPZSA-N 256.478 4.641 30 10 CJEE CC(C)[C@@H]1CCC/C(=C/B2OC(C)(C)C(C)(C)O2)CC1 306898319 WVMOHPHNVAWUAB-IKESIWSLSA-N 278.245 4.781 30 10 CJEE Cc1cc(C#N)cc(Nc2nc3cccc(Cl)c3s2)c1 308127951 CVIQEFXRSFEZNM-UHFFFAOYSA-N 299.786 4.873 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1ccc(OCCC)cc1 312639128 PHHXPQVDLQJCIW-HNNXBMFYSA-N 275.436 4.728 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2Cc3ccccc3S2)C1 316894500 SNAAURGNQHOHJO-UWWQBHOKSA-N 288.456 4.879 30 10 CJEE CCCCCC[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380944453 OCGAUZWNNCKJOQ-KRWDZBQOSA-N 294.439 4.640 30 10 CJEE C=C(CC)C[C@H](NCCC)c1csc(Cl)c1 382105976 PRFGVLIMHYAVHI-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE C=CCCCCCCNCc1csc(C(C)(C)C)n1 382192600 KDXIYGJPWXJFIP-UHFFFAOYSA-N 280.481 4.667 30 10 CJEE CC(=O)/C(C)=C\c1ccc(-c2ccccc2F)s1 385346397 HLGYDRVMMFHZSA-KTKRTIGZSA-N 260.333 4.547 30 10 CJEE C=CCC(C)(C)CN[C@H](CC)c1cccc(Cl)c1 386901363 YYDXAMFZHNNMBH-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1CSc2ccccc21 387165304 MIQAPNPHEVVYRB-HZPDHXFCSA-N 289.488 4.704 30 10 CJEE CCC(CC)(CC)C/N=C1/NC2(CCCCC2)CS1 391299773 UHSFRMSQJGAVRT-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE CCN(C[C@@H](C#N)C1CCCCC1)c1ccc(C)cc1 397240103 FFHNQLRHSWJHRH-QGZVFWFLSA-N 270.420 4.541 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C)cc2Cl)C1 404562825 VHAVILJIBLKWPG-XOKHGSTOSA-N 291.822 4.792 30 10 CJEE C=C(C)CCSCc1ncc(-c2cccc(F)c2)o1 507835124 XSOBWHQTBIXOLT-UHFFFAOYSA-N 277.364 4.680 30 10 CJEE CCCCCCCCC[C@H](NN)c1cc(COC)cs1 690045191 FQCCMPFMQIIBGR-HNNXBMFYSA-N 298.496 4.540 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC(C)(C)CC(F)F)C1 694122250 RXBXSSZYUYNFDO-DOMZBBRYSA-N 260.368 4.843 30 10 CJEE C=CC[C@@H](C=C)OC[C@@H](NCCC)c1ccccc1Cl 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4.531 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@@]1(C)COC 2269292392 POPUPAPEKYDFKO-RDJZCZTQSA-N 268.441 4.759 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)[C@H]1C[C@@H]2C[C@@H]2C1 2270165634 ZHPVREPQGZYGFW-YYAJDYIMSA-N 283.481 4.748 30 10 CJEE C=CCCCSC[C@H](NCCC)C1C(C)(C)C1(C)C 2271488358 DOLNFZPNNOANQM-AWEZNQCLSA-N 283.525 4.736 30 10 CJEE C=CCCCSc1ccc(C)cc1CNC1CCC1 2271581712 LCQFQFNUDKKKTJ-UHFFFAOYSA-N 275.461 4.695 30 10 CJEE C=CCCCSc1ccc2c(c1)CCC[C@@H]2NCC 2271590198 JXHFIBPCDYSFPM-KRWDZBQOSA-N 275.461 4.732 30 10 CJEE C[C@H]1CC[C@H](COc2cc(Cl)c(F)cc2C#N)CC1 2271951043 DEQDZSPVXBGQHK-XYPYZODXSA-N 281.758 4.556 30 10 CJEE CCCN[C@@H]1CCCCC[C@@H]1C#CC1CCCCC1 2273991323 DRCUWFZTPZACCN-QZTJIDSGSA-N 261.453 4.519 30 10 CJEE CCCC[C@@H](CC)[C@H](C#CC1CCCC1)NCCC 2273996891 TVLSYPWRUIQIBN-MSOLQXFVSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCC[C@H](CCC)OCCCN 2276157004 XYANMECZYVPMNK-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CC[C@@H]1CC=C(C(=O)Cc2ccc(Cl)c(F)c2)CC1 2277906431 BNQFBCDEXALZPJ-LLVKDONJSA-N 280.770 4.727 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1CCCC12CC2)NCC 2281325124 LCYPFEGKFYRMHM-MSOLQXFVSA-N 269.432 4.648 30 10 CJEE CCCCC#CC[C@H](NCC)c1cccc(OC)c1Cl 2283296612 CFTZWCAGLPOMOV-HNNXBMFYSA-N 293.838 4.583 30 10 CJEE C#Cc1ccc(N[C@H](C)c2cc(Cl)ccc2OC)cc1 2283322856 RNDGOJLNLNIRPY-GFCCVEGCSA-N 285.774 4.503 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)CC1CCCC1 2284087147 ADUIGGIQWXEGIF-SFHVURJKSA-N 275.480 4.931 30 10 CJEE CC(C)(C)C#CC=CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1N 2284090252 SPGUDZKMZPLBOW-BRWVUGGUSA-N 275.480 4.772 30 10 CJEE CCCCCCC[C@@H](NC)c1cc(C(C)(F)F)ccn1 2284164513 LUSRBWWWPDQJKB-CQSZACIVSA-N 284.394 4.814 30 10 CJEE C=CCCCSC[C@@H](NCCC)c1ccc(CC)cc1 2287066054 UBWZXIRBENXQCB-GOSISDBHSA-N 291.504 4.989 30 10 CJEE CC1(C)CCC[C@](C#N)(c2ccnc(C(C)(C)C)c2)C1 2289229495 CPBZVYYCAQRXMO-SFHVURJKSA-N 270.420 4.741 30 10 CJEE CCCCC1CCC([C@H](N)C#CC2CCCCC2)CC1 2289786187 MNFKKBODIQHZIW-CTWPCTMYSA-N 275.480 4.894 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)c1ccc(C)s1 2290860460 UXTRAYWKFKCKHD-INIZCTEOSA-N 298.448 4.733 30 10 CJEE CCCCC#CC[C@@](CC)(C[C@@H](C)CC)OCCCN 2292571348 LRVWZLDZOMQHCI-ROUUACIJSA-N 281.484 4.521 30 10 CJEE C=CCCCCCCC[C@@]1(OCCN)C=CCC[C@H]1C 2292652104 HDFDGPLUTNWZOP-QZTJIDSGSA-N 279.468 4.603 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)C1CCC(C)CC1 2292765126 BZZVXDNGQLOIGF-DAWZGUTISA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@H](OCCN)c1cccc(CC)c1 2293645931 BHEXBOBGLVDCAN-SFHVURJKSA-N 277.452 4.626 30 10 CJEE C=CCCCCCC[C@H](OCCN)C1CCCCCC1 2294014428 DEXGJJPGRRSHPL-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@]1(OCCN)CCCC[C@H]1C(C)C 2294368582 LQPPPILVVCUVHH-ZWKOTPCHSA-N 283.500 4.907 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1nccs1 2294563009 ROMRSNZTKSVDFE-HNNXBMFYSA-N 298.496 4.690 30 10 CJEE CCN[C@@H](C#Cc1ccccc1Cl)CC1=CCCCC1 2295195905 ZRULBBPLKFATFN-KRWDZBQOSA-N 287.834 4.560 30 10 CJEE CCCCCCCCC[C@H](C)N(C)CC(C)(C)C(=O)O 2295533323 FZXUFJADKVBJSJ-HNNXBMFYSA-N 285.472 4.558 30 10 CJEE C=CCCCCCCC1(N)C[C@@H](C)S[C@H](C)C1 2301685359 LIMOMPTYQZUOCG-ZIAGYGMSSA-N 255.471 4.515 30 10 CJEE C[C@H]1CC(=Cc2cccnc2Cl)C(=O)c2ccccc21 2303184807 QOLNLNGZMSSJAT-NSHDSACASA-N 283.758 4.509 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)c(Cl)c1 2304041400 NQQDFLJVKAADGI-KBPBESRZSA-N 272.219 4.986 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Br)c(C)c1 2304131601 DWEWQSLZUBFYKY-HUUCEWRRSA-N 297.236 4.783 30 10 CJEE CC(C)C[C@@H](CS)COCC1CCCCCC1 2308053017 HCVJQWNKGCGYOK-OAHLLOKOSA-N 258.471 4.566 30 10 CJEE CCCCCCCC[C@@]1(O)C[C@@H]2C[C@H]1CC2(F)F 2308588523 XCAWTDMGKSXLRH-MELADBBJSA-N 260.368 4.533 30 10 CJEE C=CC[C@H](C)SC[C@@H](NCC)c1ccc(Cl)cc1 2313637276 CMALHWSPPWBKGK-SWLSCSKDSA-N 283.868 4.688 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNCCC)cc1Cl 2313697740 GPLUTWHSFTTYAH-GFCCVEGCSA-N 283.868 4.896 30 10 CJEE C=CC[C@H](C)Sc1ccc(CNCCC)c(C)c1 2313700280 ZBKXUZBHWROQBV-AWEZNQCLSA-N 263.450 4.551 30 10 CJEE C=CCC(CC=C)SCC(=O)c1cc(C)sc1C 2313704130 IFBPMQZCJRWSMO-UHFFFAOYSA-N 280.458 4.802 30 10 CJEE CC[C@H]1CC[C@](C=O)(C[C@@H]2CC[C@H]2C(C)(C)C)C1 2320286468 LIXJRWJEJNYAAR-LJIGWXMPSA-N 250.426 4.844 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2321103248 XXVVSZDPTKCNTL-OTYXRUKQSA-N 290.209 4.995 30 10 CJEE CC[C@@H]1CCCC[C@@H]1OC[C@](C)(CS)C(C)(C)C 2327100460 QWCNINVQCLSJNW-IJEWVQPXSA-N 272.498 4.954 30 10 CJEE Cc1c(Cl)ccc(-c2ccc(C#N)c(S)n2)c1Cl 2327880341 VERFGEFEWINJEF-UHFFFAOYSA-N 295.194 4.524 30 10 CJEE C#C[C@H]1CC[C@@H](N[C@H](CC)c2ccc(Cl)cc2Cl)C1 2333896620 DOQNLAWUVNFJSP-NORZTCDRSA-N 296.241 4.836 30 10 CJEE C=CCC(CC=C)O[C@@H](c1ccc(Cl)s1)[C@H](N)CC 2335109415 SOGKQKMQFAIARY-IUODEOHRSA-N 299.867 4.717 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]2CCCC[C@H]21 2337079916 ZPBXFQZJHUEECH-OBVSXPTNSA-N 261.453 4.680 30 10 CJEE C=CCCCCCN(C)C[C@@H]1C[C@H]2CCC[C@H]1CC2 2338906687 QXCWUUPPLDZGDN-BZSNNMDCSA-N 263.469 4.881 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(F)ccc1C1CC1 2341796620 UADJXMJSCBDTGQ-MRXNPFEDSA-N 281.802 4.886 30 10 CJEE C=C[C@](N)(CCCCC(F)(F)C(F)(F)F)C(C)(C)C 2342305770 FPKWFLLIGHKZSQ-NSHDSACASA-N 287.316 4.674 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1snc2ccccc12 2344358469 VHEQMPPBWWWNRR-JKSUJKDBSA-N 274.433 4.549 30 10 CJEE C=CC[C@@H](C)[C@H](NC)c1ccc2ccccc2c1C 2344395432 JCRIKLGUVQRRKR-ACJLOTCBSA-N 253.389 4.621 30 10 CJEE C=CC[C@](C)(CC)C(=O)C[C@H]1CCC[C@H]1C(F)(F)F 2344422244 XCOJPHUCIDMVCF-BZPMIXESSA-N 276.342 4.917 30 10 CJEE CCCCCCCCCCC(=O)C12CC(OC)(C1)C2 2344939213 AVOFPRUEXOXLKV-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE C=CC[C@@H](C)S[C@](CC)(C(=O)O)c1cccc(Cl)c1 2352002140 NMFZIIBJBSANGC-ABAIWWIYSA-N 298.835 4.728 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@@H](C(F)(F)F)C1 2352839689 YHBAKMZAFIXDJE-OKILXGFUSA-N 279.390 4.915 30 10 CJEE CSc1cc(N[C@@H](C)[C@H](C)CC(C)C)ccc1C#N 2353821584 BQFQYNHKVHJNDV-OLZOCXBDSA-N 276.449 4.763 30 10 CJEE CCC(CC)(CC)COc1ccc(C#N)c(SC)c1 2353827281 QBTZGRJOQBOEOV-UHFFFAOYSA-N 277.433 4.875 30 10 CJEE CCC[C@H]1CCC[C@H]1Nc1ccc(C#N)c(SC)c1 2353831577 LIVIEHMWGLCORM-SWLSCSKDSA-N 274.433 4.661 30 10 CJEE N#Cc1ccccc1NC[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354885955 QNLHFUBMKKHYNF-UAGQMJEPSA-N 268.404 4.577 30 10 CJEE C=CCC(CC=C)Nc1ncccc1[C@@H](F)C(F)(F)F 2360204997 INGFIDHHDIUGLI-GFCCVEGCSA-N 288.288 4.587 30 10 CJEE C=CCC(CC=C)OCc1cc2ccccc2nc1Cl 2360215806 BDZLGWRXWQELFY-UHFFFAOYSA-N 287.790 4.926 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)[C@H](C)CC1CCC1 2360323901 LUNXAYZDUARFDG-BPQIPLTHSA-N 283.500 4.642 30 10 CJEE Oc1ccccc1/C=N/N(c1ccccc1)c1ccccc1 5519169 IBFDWELLHPEMJS-HMMYKYKNSA-N 288.350 4.564 30 10 CJEE CC(C)c1ccccc1N[C@H](C)c1ccc(C#N)cc1 19907223 ILWRWXRLGORWPQ-CQSZACIVSA-N 264.372 4.855 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Sc1ccccc1Cl 37154807 ZCPRQCGBOGAETE-DGCLKSJQSA-N 265.809 4.905 30 10 CJEE C[C@H](CC(C)(C)c1ccccc1)Nc1ccc(C#N)cc1 37212100 NASWGHJSWIXFJT-OAHLLOKOSA-N 278.399 4.727 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1cccc(C(C)C)c1 44814223 WGELDRJXFQJAPT-UHFFFAOYSA-N 286.419 4.859 30 10 CJEE CCc1ccccc1OCC[C@@H](C#N)c1cc(C)ccc1C 57695412 XRSFZBBGDOEKCB-SFHVURJKSA-N 293.410 4.942 30 10 CJEE CCCCCCCCOc1cccc(F)c1C(C)=O 59087966 YMCJTWWOEXSTMC-UHFFFAOYSA-N 266.356 4.768 30 10 CJEE CC(C)[C@@H](CS)COc1ccc(Cl)cc1Cl 87078626 MEIGRCZQGIJXEA-SECBINFHSA-N 279.232 4.574 30 10 CJEE SCC1(CSc2nccs2)CCCCCC1 87098462 QEPFYCFGUSKIAZ-UHFFFAOYSA-N 273.492 4.506 30 10 CJEE Cc1ccc(Cl)cc1Oc1nc2ccccc2cc1C#N 88729841 QTUSLZMBXNEMLN-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE CCCC(CS)(CCC)CN(C)CCc1ccccc1 94577943 HVDLVRIEPADHHU-UHFFFAOYSA-N 293.520 4.677 30 10 CJEE C[C@H]1c2ccsc2CCN1CC1(CS)CCCCC1 94580125 HFVITZLMOOQNGK-ZDUSSCGKSA-N 295.517 4.548 30 10 CJEE COc1ccc(CSCc2cc(C)cc(C)c2)cc1C#N 94718387 WJTJPOQQCWBGKI-UHFFFAOYSA-N 297.423 4.617 30 10 CJEE CC#CCCc1ccc(OCC(C)C)c(C(C)(C)C)c1 107593255 MFZSTFWZPXWGKU-UHFFFAOYSA-N 272.432 4.975 30 10 CJEE CCCCCCCCC[C@H](CC(F)(F)F)NC 107686646 VXLQPYSRCQCMAT-GFCCVEGCSA-N 253.352 4.668 30 10 CJEE CCCCCCCCCCn1nc(C)c(C[C@@H](C)N)c1C 109010574 KBGNJCURCPLQFM-OAHLLOKOSA-N 293.499 4.530 30 10 CJEE CCCCCCC[C@@H](Cc1ccccc1Cl)NC 109732404 JNCNDSGNNGYSMT-HNNXBMFYSA-N 267.844 4.831 30 10 CJEE CCCCCCCO[C@H]1C[C@H](c2ccccc2)CC[C@@H]1O 110022478 GLTVCTAILPCBDW-QYZOEREBSA-N 290.447 4.671 30 10 CJEE Cc1ccc(N(C)c2ccc(Cl)cc2C#N)c(C)c1 110257507 VZOXZSDKEPOVCO-UHFFFAOYSA-N 270.763 4.596 30 10 CJEE C[C@@H]1CCC[C@H](c2nc(-c3ccc(C#N)cc3)cs2)C1 110310515 GATLBRXQYFDGHT-DOMZBBRYSA-N 282.412 4.975 30 10 CJEE C[C@H](CC(=O)[C@H](C#N)c1ccc(Cl)cc1)C(C)(C)C 111650426 SFFHWUFHQJGWHV-BXUZGUMPSA-N 277.795 4.589 30 10 CJEE CC[C@@H]1CCCC[C@@H]1Oc1ccc(CC/C(C)=N/O)cc1 111780309 XJPXDKPEIYJNNS-ALUDDVPBSA-N 289.419 4.817 30 10 CJEE CCCCCCCCC[C@H](N)Cc1ccccc1OC 112893640 WONQEPTTWGAQGK-KRWDZBQOSA-N 277.452 4.706 30 10 CJEE CCCCCCCCCCCCN[C@@H](CC)CCO 134389087 YSRJIDQVHLDNKR-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CSc1ccc(Nc2cccc(SC)c2C#N)cc1 136607261 UUBXYAOBHMAXEU-UHFFFAOYSA-N 286.425 4.746 30 10 CJEE C=CC[C@@H](NCCC)c1cc2cc(F)ccc2s1 136941697 KGKVCKYNHDTHSG-CYBMUJFWSA-N 263.381 4.657 30 10 CJEE CCCCCCCCC[C@H](NC)c1csc(C)n1 139395317 CMLHLSASESXYJV-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCCCCCCCC[C@@H](NC)c1coc(C)c1 157818649 JJBKIDYWCJRPEU-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@](C)(CC)OC 163654069 NXOJVHLJHDVLIT-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(F)c(Cl)c1 163725096 MXACBOHHXVXFSO-CQSZACIVSA-N 295.144 4.809 30 10 CJEE CC[C@H]1CCC[C@@]1(O)C1(C#N)CCC(C(C)(C)C)CC1 164936479 UAJXWURMOSQKTE-OBHHBEAMSA-N 277.452 4.674 30 10 CJEE N#Cc1ccc2[nH]c([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)nc2c1 168449771 XPDPPWPDGNIKPJ-RRFJBIMHSA-N 279.387 4.508 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@H](C)CC[C@H]1C(C)C 218178320 JZCBNBNNLOGBTQ-SKDZVZGDSA-N 270.420 4.739 30 10 CJEE CCCCCCCCCC(=O)[C@H](CCC)OCC 227398162 JKBCHVFDXKFKNW-INIZCTEOSA-N 256.430 4.901 30 10 CJEE C[C@H](NCC(C)(C)CCC#N)C12CC3CC(CC(C3)C1)C2 229667711 QLPUIRHBHFYSEG-ISOUWHGUSA-N 288.479 4.511 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1cncnc1 229827559 FHGPCXWFFCNJOA-KRWDZBQOSA-N 277.456 4.787 30 10 CJEE N#Cc1cc(-c2cccc(Cl)c2Cl)cs1 238550470 ZYWJZINQTHJABZ-UHFFFAOYSA-N 254.141 4.594 30 10 CJEE 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4.617 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2ccccc2C(F)(F)F)C1 312784870 OPBHKVZBMXHHEZ-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CC/C=C\c2ccccc2)C1 316752777 QWNUFSWBHZJIGF-ZQMLZLLSSA-N 256.389 4.875 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2cccc(Cl)c2Cl)C1 316816892 QLGNZAIJCADKEV-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE CCCC1CCC(C=O)(Cc2ccc(C)cc2)CC1 316885522 RORYOOAISUMNPV-UHFFFAOYSA-N 258.405 4.713 30 10 CJEE CCCC[C@H](CC)CC1(C=O)Cc2ccccc2C1 317103183 BPERVECQGAMOBH-HNNXBMFYSA-N 258.405 4.577 30 10 CJEE C=CC[C@H](C)NCc1ccc2c(c1)c1ccccc1n2CC 317498489 UOZYIHOGDHJSTE-HNNXBMFYSA-N 292.426 4.869 30 10 CJEE CCCCCCCC[C@]1(CNC2CC2)CCCS1 318864562 GHKRHXBAVWWGIW-MRXNPFEDSA-N 269.498 4.755 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1c(Cl)cccc1Cl 319938909 SFMBALFJAMKKDP-VHSXEESVSA-N 256.176 4.893 30 10 CJEE C=CCC(C)(C)CNCc1ccc(Cl)c(Cl)c1 379892337 GGNFBVNGWREYEG-UHFFFAOYSA-N 272.219 4.685 30 10 CJEE C=CCS[C@@H]1CCCCCCCCCC[C@H]1NC 382129548 IOZXFVHYVUPIDW-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE 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4.919 30 10 CJEE C=C1CCC(C[C@@H](O)c2csc(Cl)c2)CC1 724571955 ZSRDLJPMBNKULX-GFCCVEGCSA-N 256.798 4.571 30 10 CJEE C=C1CCC(C[C@H](O)[C@@]2(C)CC[C@H](C)C2(C)C)CC1 724585509 FYCCUOWFTLATIS-QILLFSRXSA-N 264.453 4.946 30 10 CJEE C=C1CCC(C[C@H](NCC)C2[C@@H]3CCCC[C@@H]23)CC1 724605926 OZVOLUZQMKHFPF-ZACQAIPSSA-N 261.453 4.537 30 10 CJEE C=C1CCC(C[C@H](NCCC)C2CC(C)(C)C2)CC1 724616131 IYGDNHRVNSGIST-KRWDZBQOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2CN)CC1 724617953 PRBPNJLXSODXAG-KZNAEPCWSA-N 263.469 4.770 30 10 CJEE C=CCCCCN1CC(C)(C)C[C@H]1c1ccccc1 1171408388 SMTXDBKVWWRSRP-KRWDZBQOSA-N 257.421 4.816 30 10 CJEE CCCCCCCCCCN(C)Cc1ncccc1C 1205813705 FJFZFNIJKNACEZ-UHFFFAOYSA-N 276.468 4.963 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1CCOCC1 1258230414 VERZANUSHLOBCF-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=C1CCC(C(=O)O[C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 1269817807 AFAVZQNYXIRABW-RTBURBONSA-N 298.426 4.921 30 10 CJEE C=C[C@H](CC(=O)NC[C@H]1CCCC[C@@H]1CC)c1ccccc1 1274304267 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C=CCCCCCCCCC(=O)[C@H]1CCC[C@H](N)CC1 2207391384 LOVSDWMTHPELAH-IRXDYDNUSA-N 279.468 4.770 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@@H](N)CCC(C)C 2207405408 RWIOMCBXYHKNPS-ZWKOTPCHSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H](O)C1(C)CCC1 2207408275 IIPLQEPCJMFJAF-IAGOWNOFSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCC(=O)CCOCC(F)F 2207408595 IUGONOZRBYPYDD-UHFFFAOYSA-N 290.394 4.924 30 10 CJEE C=CCCCCCCCCC[C@@H](N)Cc1cccnc1 2207424315 DBARLSGBTPOZOX-GOSISDBHSA-N 274.452 4.648 30 10 CJEE C=CCCCCCCCC[C@H](Cc1cccnc1)NC 2207426708 FSHUEAGUDJGHOA-GOSISDBHSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CCCOC1 2207433346 YRBRAWNIQQVRGQ-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@]1(O)COC[C@H]1CCC 2207440126 WWZYOBOBDSCPBU-MSOLQXFVSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@](C)(CC)N(C)C 2207441789 KVYGMSNORPHXPX-MSOLQXFVSA-N 283.500 4.775 30 10 CJEE CCC[C@](C)(C#N)CCC1CC(OC(C)(C)C)C1 2217935190 WKZNPTQSWUOABW-XUJLQICISA-N 251.414 4.690 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H]1CCSC1(C)C 2220086895 GTZJKRZWZYKOTB-CABCVRRESA-N 270.482 4.796 30 10 CJEE C=CCCCCCCCN(C)CC[C@H]1C[C@H]1CC 2220946059 ABVWUCNJGSEHFM-SJORKVTESA-N 251.458 4.881 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H]1C[C@@H]1C(F)(F)F 2223868891 WXFJPWOZTWSLMC-RWMBFGLXSA-N 265.363 4.666 30 10 CJEE CCC#C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2225434401 RIHLTWMUCVLVMW-AWEZNQCLSA-N 289.831 4.742 30 10 CJEE C=CCCCCCCCCO[C@@H]1CC(=O)C[C@H](C)C1 2225687044 DOTJEGLXBDTVEQ-RDJZCZTQSA-N 266.425 4.677 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](C)OCC(C)C 2227268127 MPWHNCMTAGXNAF-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCC[C@H](NC)c1ccncc1Cl 2227272641 OPMJXXCDSQUMBN-INIZCTEOSA-N 280.843 4.912 30 10 CJEE C=CCCCCCCCNCC[C@H]1C[C@H]1C(F)(F)F 2227274518 UMGULJWTGXKOMI-UONOGXRCSA-N 277.374 4.691 30 10 CJEE CC1(COc2cccc(Cl)c2C#N)CC2(CCC2)C1 2228236099 LCKBWHOPGOASDT-UHFFFAOYSA-N 275.779 4.561 30 10 CJEE CCCCC#CCN(C)[C@H]1CCC[C@H](C(C)(C)C)C1 2229847876 AHLVZSDWNZRMIH-IRXDYDNUSA-N 263.469 4.717 30 10 CJEE CCCCCCCCCCCOC[C@@H](N)CC(C)C 2231072666 HBZGCXJIXDYSTF-KRWDZBQOSA-N 271.489 4.907 30 10 CJEE COc1cc(Cl)c(C)cc1C(=O)C1=CC[C@H](C)CC1 2231740351 CXOJBANCRDNYRH-JTQLQIEISA-N 278.779 4.586 30 10 CJEE CCCCCCCC[C@@](C)(N)c1nsc(C(C)C)n1 2231902812 VVEDYRSMPOWIEZ-OAHLLOKOSA-N 283.485 4.586 30 10 CJEE C=CCCCCCCCCOc1ccc(C(C)=O)cn1 2234032265 ALPABJIVTLAWJT-UHFFFAOYSA-N 275.392 4.580 30 10 CJEE C=CCCCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1NCCC 2234039436 BFPJDEJICMKKER-FGTMMUONSA-N 281.484 4.552 30 10 CJEE C=CCCCCOC[C@@H](NCC)c1ccc(F)cc1Cl 2234044821 VWHCNKLOOOTOSO-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE CCCC1CCC(C#N)([C@@H](O)c2scc(C)c2C)CC1 2234231628 JNGSYYUQVNPXKO-WIHSUSGWSA-N 291.460 4.899 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1coc(C(C)C)n1 2235535204 MXVUABCXDLQCQQ-OAHLLOKOSA-N 278.440 4.975 30 10 CJEE C=CCOc1ccccc1[C@H](O)CC1(C)CC(C)(C)C1 2236520453 OVWAKRNXOBHJDE-OAHLLOKOSA-N 274.404 4.501 30 10 CJEE O=C[C@]1(C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC(F)(F)C1 2238898694 NABGEVIWQNMKMR-FPCVCCKLSA-N 284.390 4.988 30 10 CJEE CCCCCCCCCCOC[C@@H](NC)[C@H]1CC1(C)C 2239489782 LMKFWVZCKYNHMV-IAGOWNOFSA-N 283.500 4.778 30 10 CJEE CCCCCCCCCOCCNC1CCC(C)CC1 2239491928 GAADQBOSNYGXED-UHFFFAOYSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCOC(=O)CCC[C@H](C)N 2239504694 ZOYMRSLFTITBSL-INIZCTEOSA-N 285.472 4.578 30 10 CJEE C=C([C@@H](NC)[C@](C)(O)CCCCCCCC)C(C)(C)C 2240647055 DTNYTRIFSZRFBA-SJLPKXTDSA-N 283.500 4.678 30 10 CJEE Cc1ccc2nc(C3(C#N)CCC(C)CC3)ccc2c1 2241086967 IOAGLMJTLDLFGW-UHFFFAOYSA-N 264.372 4.515 30 10 CJEE C#CCCCCC[C@H](NCC)c1ccc2occc2c1 2241177514 LSZSKXNWUTWLFR-KRWDZBQOSA-N 269.388 4.667 30 10 CJEE C=CCCSCc1ccc(C)c(Br)c1 2241926936 YALCVHIKSOVSAK-UHFFFAOYSA-N 271.223 4.567 30 10 CJEE CC=C(CC)C(=O)c1cc(Cl)c(Cl)cc1C 2243841909 GCUXCBFZWSVKQU-UHFFFAOYSA-N 257.160 4.841 30 10 CJEE CCCCCCC[C@@H](C)NCCCSC(F)F 2246381382 JQOSVXJFGPZRIG-GFCCVEGCSA-N 267.429 4.671 30 10 CJEE CCCCCCC[C@@H](N)c1csc(C2CC2)c1 2248050379 YHKMREATXFTCES-CQSZACIVSA-N 251.439 4.986 30 10 CJEE CC(C)CCC[C@@H](C)CC[C@@]1(C=O)CCCS1 2250474792 IWKAOAXARFXGOD-HUUCEWRRSA-N 256.455 4.694 30 10 CJEE CN[C@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2258564985 BAPMXGGTETWACC-CQSZACIVSA-N 284.230 4.612 30 10 CJEE C=C(C)CCCCN(C)[C@@H](C)C1CCC(C)CC1 2259232301 YUUMDDRHSHBQJQ-CGZBRXJRSA-N 251.458 4.879 30 10 CJEE CCCCCCCCN(C)C[C@@]12CCC[C@H]1CC2 2260565958 MHLYMXRIXABWKZ-IRXDYDNUSA-N 251.458 4.859 30 10 CJEE CCCCCCCC(=O)c1csc(C(C)(F)F)n1 2260765603 SZUDRYHEXGTGAL-UHFFFAOYSA-N 275.364 4.798 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H]1[C@H]2CCC[C@H]21 2263668262 BMLYSWDDCLJLGR-YVSFHVDLSA-N 252.442 4.924 30 10 CJEE CC1CCC(C=O)(C[C@@H]2CC(F)(F)C23CCC3)CC1 2266292929 XRSVHZAXIXRXTM-ROKHWSDSSA-N 270.363 4.597 30 10 CJEE CCCCCCC[C@H](CCc1ccccc1)CNC 2271190843 DETZQMDAIZINKJ-GOSISDBHSA-N 261.453 4.815 30 10 CJEE C=CCCCCCCCSc1ccncc1C(C)=O 2271497868 LYFUAPZEWTYGIF-UHFFFAOYSA-N 277.433 4.903 30 10 CJEE C=CCCCCCCCSc1cc([C@H](C)O)ccn1 2271585799 KYRHMZTWHCZXRC-AWEZNQCLSA-N 279.449 4.754 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1csc(C)c1OC 2271797060 ITXXBJOJADATBO-OAHLLOKOSA-N 281.465 4.852 30 10 CJEE C=CC1(C[C@H](NCC)[C@@]23CCCC[C@@H]2CC3)CCC1 2273327465 MTDHAWPYEHZKEH-SOLBZPMBSA-N 261.453 4.681 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1csc(C(C)(F)F)n1 2273698298 ADCRAORGFOMSBI-GHMZBOCLSA-N 288.407 4.508 30 10 CJEE CCN[C@H](C#CC1CCCCC1)CC1(C)CCCC1 2273978035 RULJKSGWUASTBZ-QGZVFWFLSA-N 261.453 4.519 30 10 CJEE CCC[C@@H](C(C)C)[C@H](CC#CC1CCCC1)NCC 2274132169 YXGGUJVCCXMUDV-ROUUACIJSA-N 263.469 4.621 30 10 CJEE CCCCCCCC[C@H](CC1=CCCC1)OCCN 2276220427 LQEWKXUSSPQVIA-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C=C(C)CC1 2276605901 PQPXXYBTTWLPBF-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE FC1(F)C[C@@H](COCCCCCCCS)C12CCC2 2277456559 UTSCWXVLGYVJNW-ZDUSSCGKSA-N 292.435 4.709 30 10 CJEE CCCCCCCCC[C@H](C)NCc1ncoc1C 2278234027 JRYURBRGODDVGC-AWEZNQCLSA-N 266.429 4.602 30 10 CJEE CCC[C@H](Nc1cc(C)c(C#N)c(C)c1)C1CCCC1 2280570636 PYSDXJFPRROHQH-SFHVURJKSA-N 270.420 4.946 30 10 CJEE CCCCCCCCC(=O)[C@@H](O)c1csc(C2CC2)c1 2283059751 FVFXKTWLSCQPDV-KRWDZBQOSA-N 294.460 4.979 30 10 CJEE CCCCCCCCC[C@@H](O)c1cc(F)c(N)cc1F 2283418598 DAQUUPNXHKGHER-MRXNPFEDSA-N 285.378 4.721 30 10 CJEE C=CCCCCCCCC[C@]1(N)CCC[C@H]2CC[C@H]1O2 2283913781 VBPSHBOWZOLFIC-KSZLIROESA-N 279.468 4.722 30 10 CJEE CCCNC[C@H]1CCCC[C@@H]1CC=CC#CC(C)(C)C 2284074028 XEUWIMMBFLEZAJ-ZWKOTPCHSA-N 275.480 4.788 30 10 CJEE C[C@H]1CC[C@@](CC=CC#CC(C)(C)C)(CNC2CC2)C1 2284084883 XEQDPYSMECOZQM-QFBILLFUSA-N 273.464 4.541 30 10 CJEE CC(=O)c1cc(Cl)c(C)cc1OCCCC(C)(C)C#N 2286476129 FVHMGSUNSQKTCR-UHFFFAOYSA-N 293.794 4.560 30 10 CJEE C=CCCS[C@@H]1CCCc2ccccc2[C@H]1NCCC 2287187428 QGHLRIZEZCHYJG-QZTJIDSGSA-N 289.488 4.742 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)C[C@@H](OC)C1(C)C 2287468255 RXXBLSQHYXXNDX-SJLPKXTDSA-N 281.484 4.552 30 10 CJEE C=C(C)CCCCC(=O)[C@@]1(O)CCCC[C@@H]1C(C)(C)C 2287468977 AXFZXVCRUKKLAN-CRAIPNDOSA-N 280.452 4.659 30 10 CJEE CN(C[C@@]12CCCC[C@H]1CC2)c1ccc(C#N)c(Cl)c1 2289065442 DWWCHFJFXXVXFG-YOEHRIQHSA-N 288.822 4.618 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@@H]1CCC(C)(C)C1 2289698955 WYONFFGPXQNUJK-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE CCCCCCCC[C@@]1(OCC(=O)O)CCC[C@H](C)C1 2290604024 MVZMNYYDPSULOU-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=CCCCCC[C@](CC)(OCCC(=O)O)C(C)(C)C 2291445523 UXUOMPNVZYZVBS-KRWDZBQOSA-N 284.440 4.809 30 10 CJEE CCCCCCCCCCCCC1(OCC(=O)O)CC1 2291638117 IYJSPTXWYJDXIW-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCCCC[C@@]1(OCC(=O)O)CCC=C1C 2291708192 OZLOJOGADVLBLE-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@](CC)(OCC(=O)O)[C@@H]1CC1(C)C 2291788380 NUFDCXZRXMNAAO-PBHICJAKSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](C[C@@H](C)C1CC1)OCC(=O)O 2292708930 GKNLDLUSECHEDA-ZBFHGGJFSA-N 284.440 4.643 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1ccc(CC)s1 2292769937 ONGOBNKXJWCKFR-INIZCTEOSA-N 295.492 4.854 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CC(C)(C)C[C@@H]1C 2292804588 RHIYKXNEKIQBOJ-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@](C)(CCCCC)OCCCN 2292843493 ONPZOTHPSPEUAP-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCC[C@](C)(OCCN)[C@@H]1CCC[C@H](C)C1 2292881818 IVWWNNKOPLVLAM-KSZLIROESA-N 281.484 4.683 30 10 CJEE C=CCCCC[C@@]1(OCCN)CCCCC[C@H]1C(C)C 2293293721 VDRYWSOREAZHPP-ZWKOTPCHSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@H](CC[C@H]1C[C@H]1C)OCCCN 2293768858 ZCADHXDHCHOFSV-FGTMMUONSA-N 283.500 4.907 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C2C3CC4CC(C3)CC2C4)C1 2294902245 IMBADZPESLMQHD-VWHSJXCISA-N 274.448 4.844 30 10 CJEE CCCN[C@@H](C#Cc1ccccc1Cl)[C@H](CC)C(C)C 2295203017 OCLNWRCXFQMSFV-AEFFLSMTSA-N 291.866 4.742 30 10 CJEE CC1(C)CCC[C@H]([C@](C)(N)C#Cc2ccccc2Cl)C1 2295224635 PZVXBKSPKJHKLU-MAUKXSAKSA-N 289.850 4.625 30 10 CJEE CC(C)C[C@H]1CCC[C@](O)(C#Cc2ccccc2Cl)C1 2295233426 AECNOZFBVSFHQO-QAPCUYQASA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@@H](N)CCC1(C)C 2295519956 MBQUEYOZVZLBQW-IRXDYDNUSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@](C)(CN)N(C)[C@@H]1CC1(C)C 2295524191 HIVJYBUKDARYJW-SJLPKXTDSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@@H]1CCC[C@H]2O[C@H]12 2295592248 OURWUYSAVVDITG-MLHJIOFPSA-N 282.468 4.836 30 10 CJEE CCCCCCCCC[C@](C)(O)C[C@]12CCOC[C@@H]1C2 2295597433 VITVKCBLGURVBI-OKZBNKHCSA-N 282.468 4.695 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](O)C[C@H](C)S1 2298816702 JZVLRMUWGKTHDX-RRFJBIMHSA-N 258.471 4.772 30 10 CJEE C=CC[C@H](CO)CCCc1cc(Cl)cc(Cl)c1 2302372178 NIZQMWALMBDRNA-NSHDSACASA-N 273.203 4.501 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NCC)c1csc(C)c1 2304061635 GXHKJBQTPNMSQI-HUUCEWRRSA-N 251.439 4.700 30 10 CJEE CCCCCCCC[C@@](C)(SCCC)C(=O)O 2306930691 FWTSJKOPLDBZAE-CQSZACIVSA-N 260.443 4.724 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@H]1C1CCC1 2311472211 CLOMWDLBFHRBAR-ZACQAIPSSA-N 251.458 4.891 30 10 CJEE C=CCC(CC=C)Sc1ccc(C(=O)O)c(Cl)c1 2313525671 ZAXLEXXAEIDMDQ-UHFFFAOYSA-N 282.792 4.651 30 10 CJEE CCCN[C@@H](C#Cc1cccs1)c1sccc1Cl 2316324753 LLQGNQGPIRONNL-ZDUSSCGKSA-N 295.860 4.555 30 10 CJEE C=CCC(CC=C)[C@H](N)c1c(F)ccc(C)c1Cl 2316688530 PDRPUZRWYNDTMO-HNNXBMFYSA-N 267.775 4.556 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)C1CCC(CC)CC1 2321097363 AFYLPZAOSYCIAJ-GPANFISMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CC(C(C)(C)C)C1)NCC 2321113028 KVFOGXDQOHEQCR-LMPOIIKSSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@H](C)CC1CC1 2321113305 NQZPMPYSRLBMBE-OIISXLGYSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC1CC(C(C)C)C1)NCC 2321144204 GLZXVYRIIQNIPU-UYSNPLJNSA-N 251.458 4.639 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1csc2ccccc12 2321227050 ATHXJIUJKPSWMB-HOTGVXAUSA-N 260.402 4.927 30 10 CJEE C=CCC(C)(C)[C@@H](O)C1=CC[C@@H](C(C)(C)C)CC1 2321231495 GCVXRJUBTNJLGB-CABCVRRESA-N 250.426 4.722 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC[C@@H]1C[C@H]1C1CCCC1 2332754706 DURPEDUNWODQTM-XLAORIBOSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)OC(=O)C[C@@H](C)CCC=C(C)C 2335108685 IUFMNWJRMJWQHH-HNNXBMFYSA-N 264.409 4.823 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(C(CC2CC2)CC2CC2)C1 2335220702 COJTVEFQNWCSSI-RDTXWAMCSA-N 262.437 4.988 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1c(F)ccc(C)c1Cl 2335572932 UMIJBJMRARMXGX-MRXNPFEDSA-N 275.754 4.501 30 10 CJEE CCCCCCCCCC[C@]1(CN)COCC1(C)C 2336114221 AGUPIZZCPAZVKZ-KRWDZBQOSA-N 269.473 4.519 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H](C)C(F)(F)F)NCCC 2338731835 DKDCAXSWTTZMIU-GXTWGEPZSA-N 277.374 4.712 30 10 CJEE C=CCC(CC=C)[C@@H](NC)[C@H]1CCCc2sccc21 2338738971 RAKIVCHTHKTUPA-DOTOQJQBSA-N 275.461 4.524 30 10 CJEE CCCCCCCCC[C@](C)(O)C#C[C@H]1CC1(F)F 2340996975 IAUBZAPHUZNIRY-GJZGRUSLSA-N 272.379 4.537 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCC[C@@H]1C(F)(F)F)NCCC 2341930153 SCROHJQYBPJBSK-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(COC)s1 2342074549 OJNHRRXQQNARNT-XJKSGUPXSA-N 281.465 4.538 30 10 CJEE O=CC1(CC[C@@H]2CC[C@H]2C2CC2)CCC2(CC1)CC2 2342538702 VXWPBPHBASDYMH-HOTGVXAUSA-N 260.421 4.742 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1cc(F)ccc1F 2344335883 DLEAKSGREACNOZ-HNNXBMFYSA-N 267.363 4.608 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1ncc(C(C)(F)F)s1 2344348621 MIWPTLAWZXQNJJ-YPMHNXCESA-N 288.407 4.508 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1csc(C(C)(C)F)n1 2344368847 JFXOPPSRTUTLOJ-AAEUAGOBSA-N 284.444 4.601 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc2ccoc12 2344373456 AQAUBOWYUJILSE-IAGOWNOFSA-N 257.377 4.686 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccccc1C1(C)CC1 2344466093 FQMITEWCOXTKGE-SJORKVTESA-N 258.405 4.764 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cc2cc(C)ccc2o1 2344467113 KJJQUDJPGIZHMZ-SJORKVTESA-N 258.361 4.767 30 10 CJEE CCCCCCCCCC(=O)c1ccn(C(F)F)n1 2344704550 MMLQHCAMJFMIPP-UHFFFAOYSA-N 272.339 4.602 30 10 CJEE CC(C)(C)[C@](C)(CS)CSc1ccccc1[N+](=O)[O-] 2352322553 CIVGGPSHBVBTHZ-CQSZACIVSA-N 299.461 4.669 30 10 CJEE Cc1ccc(C(C)C)c(C2=CC(=O)CC(C)(C)C2)c1 2352934819 ABDWNBPHRVLUGL-UHFFFAOYSA-N 256.389 4.891 30 10 CJEE CSc1cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1C#N 2353834439 MZVRTUJVTCBDPN-SGMGOOAPSA-N 274.433 4.517 30 10 CJEE CCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@H]1CC)NCCC 2353987139 SVJIDYVGKVISCT-VSZNYVQBSA-N 283.500 4.512 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@]12C[C@@H](N)[C@@H]1C2 2354532437 KCDYUALZNAEMOT-JZXOWHBKSA-N 279.468 4.604 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@]12CCOC[C@@H]1C2 2357356048 TXNUZIOAXXTTGE-RCCFBDPRSA-N 281.484 4.532 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H]1CCC[C@@H](C)N1 2358322871 XPULZELIGIWNHM-KZNAEPCWSA-N 281.484 4.575 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154803 KLTIXBDIKHNAMS-UHIISALHSA-N 265.809 4.760 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc(F)cc1F 37156749 WCASXNHOTLMGAV-GWCFXTLKSA-N 267.344 4.529 30 10 CJEE N#Cc1ccc(N[C@H](c2cccs2)C2CCCC2)cc1 37212207 RWNXERVBAXLDFL-KRWDZBQOSA-N 282.412 4.963 30 10 CJEE C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 37306391 QNXUUHKRHDMVPI-QMTHXVAHSA-N 282.309 4.568 30 10 CJEE CC(C)S[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37685700 NWSWHOSXPZUFIN-ARFHVFGLSA-N 259.418 4.604 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 59427075 ORMWLRBWCQKIEW-HIFRSBDPSA-N 251.414 4.988 30 10 CJEE CCCc1nccn1[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 70424535 AZSQJEJJUHROLL-OAGGEKHMSA-N 287.451 4.753 30 10 CJEE Cc1nc(-c2cc(Cl)ccc2Cl)ccc1CS 82481447 YNDUGIOWQACPKS-UHFFFAOYSA-N 284.211 4.794 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cc(C)c2ccccc2n1 97816687 BDYRQRSXICTLFC-QGZVFWFLSA-N 268.404 4.550 30 10 CJEE CCCOc1ccc(N/C=C\C(=O)c2ccc(C)cc2)cc1 104702455 ATMARTXWPKKEHJ-SEYXRHQNSA-N 295.382 4.592 30 10 CJEE CCCCCCCn1nc(C#N)cc1-c1ccc(F)cc1 106589133 HQJXMNSUMJCODC-UHFFFAOYSA-N 285.366 4.531 30 10 CJEE CCCCCCCOC[C@H](NC)c1cc(C)ccc1C 110081464 OBRXXLDFPIXLRA-SFHVURJKSA-N 277.452 4.551 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)C[C@H]2CC[C@@H]1C2 110196881 LYCLBEZUZAFSRQ-JZXOWHBKSA-N 263.469 4.905 30 10 CJEE CCCCCCCC[C@]1(CNCCOC)C[C@@H]2CC[C@@H]1C2 110198383 BDVGVNVMMPIHIZ-GUDVDZBRSA-N 295.511 4.779 30 10 CJEE CCCCCCCC[C@H](O)c1cccc(COC)c1 115198510 BAOIQWGMUOPNSS-KRWDZBQOSA-N 264.409 4.617 30 10 CJEE CCCCCCCCCCN1CC2(CCCC2)NC[C@H]1C 115242531 RPHWUIBSYPPLJI-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC[C@@H](NC)C(C)(C)N1CCCC1 118144010 GGCMANKUSYSHQZ-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](Cc1ccccc1C)NN 125824969 CPERDJPMRBQEHE-SFHVURJKSA-N 276.468 4.510 30 10 CJEE CCCc1ccc([C@@H](C)Nc2ccc(F)cc2C#N)cc1 126215214 AQRIBOMISFFAGL-CYBMUJFWSA-N 282.362 4.823 30 10 CJEE CCCCCCCCCCNCCSC(F)(F)F 127582355 JSERMLABMWFMCV-UHFFFAOYSA-N 285.419 4.970 30 10 CJEE CCCCCCCCCCNc1ccc(N)c(C#N)c1 127702335 YCSLFLNVANZBLD-UHFFFAOYSA-N 273.424 4.693 30 10 CJEE Cc1cc(C)c(CNc2cc(C#N)ccc2Cl)cc1C 127770512 IKRGNMFKOZEWJM-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE CCCCCCCC[C@H](N)c1ncccc1Br 140306552 DJFVMHHWQJJUED-ZDUSSCGKSA-N 299.256 4.595 30 10 CJEE CCCCCCCC[C@H](C[C@H](C)COC)NCCC 140351912 UFIHLPNUQRGDGE-DLBZAZTESA-N 271.489 4.778 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc2ccccc12 158899601 SWVPLZGMKHUJOV-HXUWFJFHSA-N 281.443 4.963 30 10 CJEE CCCCCCC[C@H](NCCC)[C@](C)(CC)OCC 159871032 DWEUMSVSERXYFB-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCOC(=O)c1ccc(F)cc1N 159875475 VRCDGAAKVCPDIB-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2ccccc2C)C1 222792138 PAIDZCDOTGIQIT-AOIWGVFYSA-N 284.447 4.535 30 10 CJEE CCCCCCCCCOc1ccc(C(=N)N)c(Cl)c1 226070319 RPJSOLAVBRTYJT-UHFFFAOYSA-N 296.842 4.753 30 10 CJEE C#C[C@H](CCC)N[C@H](C)c1cc(F)c(Cl)cc1Cl 229908454 OQQCEDMPVPXGTN-NXEZZACHSA-N 288.193 4.585 30 10 CJEE C[C@@H]1CC[C@@H](Nc2ccc(C#N)c3ccccc23)[C@@H]1C 235372869 ZWYYOTSBPKJDOC-PBFPGSCMSA-N 264.372 4.558 30 10 CJEE N#Cc1ccnc(Nc2ccc(Cl)c(Cl)c2)c1Cl 236040802 JNZQRJZOFHFJDB-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCCCCCC(=O)c1cccc(OC(F)F)c1 236158825 UWXIAMQEJDZRND-UHFFFAOYSA-N 268.303 4.607 30 10 CJEE O=C(C1=CCCCC1)C1(c2ccccc2)CCCC1 236392787 DNAGPNLXIGNURR-UHFFFAOYSA-N 254.373 4.568 30 10 CJEE N#Cc1ccc(Sc2cccc(O)c2)c2ccccc12 236564364 ZAFSBYYYYQVHHR-UHFFFAOYSA-N 277.348 4.568 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@H]1C(C)C 250836551 VHAWQUBXSOYDSV-OALUTQOASA-N 296.543 4.691 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C)CC[C@H]1CNCC(C)C 251217351 LSJNDHMBICVGDB-YESZJQIVSA-N 251.458 4.641 30 10 CJEE C(=Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1 254598311 UIWJXMHPQZDZBA-UHFFFAOYSA-N 287.322 4.574 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)CC(C)C 304487730 MAFANYNKBNCBHT-JKSUJKDBSA-N 256.478 4.641 30 10 CJEE Cc1cc(C#N)cc(N[C@H](c2cccs2)C(C)C)c1 308111309 XRSSWUUCUCEBML-INIZCTEOSA-N 270.401 4.737 30 10 CJEE N#CC[C@H]1CCC[C@H](c2cc(Cl)cc(Cl)c2)O1 310420407 QMNCQIPZQIABOP-CHWSQXEVSA-N 270.159 4.517 30 10 CJEE N#Cc1ccc2c(ccn2[C@H]2C=CCCCCC2)c1 311355430 XYCQDNANMQKCEE-INIZCTEOSA-N 250.345 4.574 30 10 CJEE CCCCCCCCCCCC[C@H](O)c1cn[nH]c1 311457914 UWAYZMOCCVMHJU-INIZCTEOSA-N 266.429 4.754 30 10 CJEE CCCCCCCCCC[C@@H]1COC(C)(C)C1=O 311770189 MRPVXXISZQKEBT-CQSZACIVSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@H](O)CCC1CCOCC1 312052024 XLCNRLKXNGVUFG-KRWDZBQOSA-N 270.457 4.695 30 10 CJEE CC[C@@H]1CC[C@H](CNC(C)C)[C@H](CC#CC(C)(C)C)C1 312216486 VWKKEWCHYCOOSL-KZNAEPCWSA-N 277.496 4.867 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC/C=C/c2ccccc2)C1 316752774 QWNUFSWBHZJIGF-KVGCROTGSA-N 256.389 4.875 30 10 CJEE Cc1cc(F)ccc1CC1(C=O)CCCCCCC1 317715993 MOZKLVPAOXHNGZ-UHFFFAOYSA-N 262.368 4.606 30 10 CJEE CCCCCCCCCCCC[C@H](N)CN1CCCC1 328165837 JDANHODWOPUXPN-SFHVURJKSA-N 282.516 4.721 30 10 CJEE SCC1(CN2CCC3(CCCCC3)C2)CCCCCC1 379936819 AYGBSBQQKJVOBS-UHFFFAOYSA-N 295.536 4.913 30 10 CJEE CCCCCCCC[C@@H](O)C[C@@H]1CCCC1(F)F 382241129 WDUUWAMZFBUNQS-UONOGXRCSA-N 262.384 4.923 30 10 CJEE C=CC[C@H](C)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 382497270 JTTZSYPDAQHVRE-MXSMSXNCSA-N 257.421 4.513 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1cc(C)cc(Cl)c1 387621558 QSGZPJLEASMZJF-QGZVFWFLSA-N 295.854 4.670 30 10 CJEE CCCCCCCCCCC(=O)CC[C@H](N)CC 391685920 VYODXMVNYIJZDT-OAHLLOKOSA-N 255.446 4.604 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)C[C@H](C)C(C)C 399407595 UUXAQEPIDGZQPM-ROUUACIJSA-N 284.532 4.678 30 10 CJEE CC[C@H](CNc1cccc(Cl)c1C#N)CC(F)(F)F 402662089 LJHXZJZOWSHWEQ-VIFPVBQESA-N 290.716 4.602 30 10 CJEE CCCCCCC[C@@H](C[C@@H](C)CC(F)(F)F)NC 402912444 ZNKULGUYZYPXIQ-OLZOCXBDSA-N 267.379 4.914 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCCC(F)(F)C1 410353347 RNUXEHSMRRMIFY-AWEZNQCLSA-N 293.357 4.569 30 10 CJEE N#Cc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 514260127 OOJXDFMZEXKOMO-UHFFFAOYSA-N 289.125 4.533 30 10 CJEE N#CCc1cccc(-c2cc(Cl)ccc2Cl)c1F 514261666 CYWLFWKNGNRGCB-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE N#CCc1cc(-c2ccc(Cl)cc2Cl)ccc1F 514262747 DLBVTQXLJZESHB-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCC[C@@H](NC1CCC2(CC1)CC2)c1ccco1 552057156 HDNOSILPNGURLJ-OAHLLOKOSA-N 259.393 4.599 30 10 CJEE CC(C)C[C@@H](C)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688342229 LYDSHSJSNYHWNF-HUUCEWRRSA-N 279.468 4.776 30 10 CJEE CCCCCCC[C@@H](NN)C(CC)(CC)C(F)(F)F 690212989 DFWGOBBKJXBVJG-GFCCVEGCSA-N 282.394 4.548 30 10 CJEE C=CCC1(Nc2ccc(N)c(C(F)(F)F)c2)CCCC1 690749814 RYZUBNMTZQITMZ-UHFFFAOYSA-N 284.325 4.588 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)Nc1ccccc1F 691085900 DSYMVDDDDOVDSJ-YOEHRIQHSA-N 274.383 4.736 30 10 CJEE CCCCCCCCC[C@H](NC)C(F)(F)C(F)(F)F 692634915 PYBNPOURIUQDAT-NSHDSACASA-N 289.332 4.913 30 10 CJEE CCCC1CCC(C#N)(CC2(OC)CCCC2)CC1 692838119 HAFIAYFDFDMLJK-UHFFFAOYSA-N 263.425 4.836 30 10 CJEE Cc1cccc(N[C@H](C#N)c2cc3cscc3s2)c1 693959804 PZRNALRWSNBJTH-CYBMUJFWSA-N 284.409 4.948 30 10 CJEE C=CCCC[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 695031792 INGCEGDWGHSNRU-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE CCCCCCCCCC[C@@H](O)C1(N)CCCCC1 695705235 FZJOWCLUSOQXDN-MRXNPFEDSA-N 269.473 4.540 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H]2CCC[C@@H](C)CC2)C1 697854738 HYKZASFFLYGZJF-HSFUPAIVSA-N 276.468 4.605 30 10 CJEE Cc1ccc(CSc2cc3ccccc3[nH]2)cc1C#N 701880651 MFWNCDGSQPSJFO-UHFFFAOYSA-N 278.380 4.640 30 10 CJEE C=CC(C)(C)CCN[C@H]1CCCC[C@@H]1c1ccccc1 701896324 QYLIUPMDPXUSOA-MSOLQXFVSA-N 271.448 4.905 30 10 CJEE C=CCCC(C)(C)CNc1c(N)ccc(Cl)c1C 704012531 ZQKOBFBDJIPIIF-UHFFFAOYSA-N 266.816 4.635 30 10 CJEE CCCCCCCCCC[C@](C)(N)C[C@H]1CCOC1 707622742 TXDAMHTVSBHVBS-SJORKVTESA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@]1(F)C[C@H]2CC[C@@H](N2)[C@@H]1C 709289667 PZFWSFZLIFPMBY-JJXSEGSLSA-N 255.421 4.606 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1CCCC1(F)F)NC 714033230 GSWNBHQBDSZCHE-UONOGXRCSA-N 259.384 4.536 30 10 CJEE CCCCCCCCC[C@@H](N)CCc1ccns1 719872203 UMRLSOUIWNDUPB-CQSZACIVSA-N 268.470 4.544 30 10 CJEE CCCCCCCCC[C@@H](N)C1(C)CC(F)(F)C1 720424920 OHSXAGFXBHHYFH-CYBMUJFWSA-N 261.400 4.890 30 10 CJEE SC[C@@H](COC1CCCCCCC1)c1ccccc1 721134578 GVXAQTOOMAYZCB-MRXNPFEDSA-N 278.461 4.830 30 10 CJEE C=C1CCC(C[C@]2(C(=O)O)CCC[C@@H](CC)C2)CC1 724588129 GFVKBQYAILADGJ-PBHICJAKSA-N 264.409 4.794 30 10 CJEE C=C1CCC(C[C@H](CCC(C)(C)C)NCC)CC1 724598768 BGYWPMYXRLEVRR-INIZCTEOSA-N 251.458 4.927 30 10 CJEE C=CCCC[C@H](NCc1csc(C)n1)c1ccccc1 880388575 MIKVMJRKVLYQAR-KRWDZBQOSA-N 286.444 4.639 30 10 CJEE C=C(C)CCC(=O)N(Cc1ccccc1)c1cccc(C)c1 1124338859 UUZBVTDOTVKLRB-UHFFFAOYSA-N 293.410 4.885 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)CCc1ccccc1C 1126063873 ZHDMGXDEEHWVKO-UHFFFAOYSA-N 299.458 4.523 30 10 CJEE C=CCCCCCN(C)C(=O)/C=C/c1ccc(Cl)cc1 1126325377 PVKDRLFEWDELTD-JLHYYAGUSA-N 291.822 4.558 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC1 1132630099 YUXOCUXAAXQGCB-UHFFFAOYSA-N 297.320 4.622 30 10 CJEE C=CCCN1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C 1175410782 OEDSJAZOEUONDJ-HNNXBMFYSA-N 297.364 4.849 30 10 CJEE C=CCC[C@H](C)NC[C@@]1(Cc2ccccc2)C=CCCC1 1183279737 CEYQHOLFMOZQJB-ICSRJNTNSA-N 283.459 4.900 30 10 CJEE C=CCCCCCOc1cccc(C)c1Br 1189986599 AWNRGSFVYYKHHS-UHFFFAOYSA-N 283.209 4.883 30 10 CJEE C#CCCCCCCN1CCCCC[C@H]1CC(C)C 1191113401 VNFDJNSQCFVEHZ-SFHVURJKSA-N 263.469 4.861 30 10 CJEE C=C(C)CCN(C)Cc1ccccc1OCc1ccccc1 1196888900 PMPQWXIAOJWONY-UHFFFAOYSA-N 295.426 4.664 30 10 CJEE CCCCCCCCN1CCC[C@H]1c1cccnc1 1201804850 UWMKJSSTMQVLCM-KRWDZBQOSA-N 260.425 4.579 30 10 CJEE C=CC(C)(C)CN[C@H](C)CCc1ccc(Cl)s1 1205842378 YXRUZSFXMZRJID-LLVKDONJSA-N 271.857 4.524 30 10 CJEE CCCCCCCCC[C@@H](C)NCC1(CC)COC1 1258231076 HILUBBNQHVCTHN-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccccc1Cl 1461571297 OVVYZKSFNUHKTE-KRWDZBQOSA-N 285.818 4.617 30 10 CJEE CCCCCCCN(CC)[C@H](C)c1ccc(C#N)cc1 1473118191 YFWIFIKKKXTINS-MRXNPFEDSA-N 272.436 4.912 30 10 CJEE C=CCC1(NC/C=C\c2ccccc2OC)CCCCC1 1474146989 OPNMLCPGENVGCS-LUAWRHEFSA-N 285.431 4.577 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1CCC[C@H](C)[C@H]1C 1474477463 MLPUBBLXHMSGGW-YVSFHVDLSA-N 251.458 4.783 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1 1475822501 CXSQAXGMAPTACI-AWEZNQCLSA-N 274.408 4.676 30 10 CJEE C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)c1 1477187570 LWQOBBKMJRZNBO-CABCVRRESA-N 286.419 4.668 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cccc(F)c1C 1523894784 GYGQRNBRIGWPGC-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE C=C1CCC(C(=O)N2C[C@@H](C(C)C)c3ccccc32)CC1 1524951245 XTRCDNLMVVUFSS-KRWDZBQOSA-N 283.415 4.519 30 10 CJEE C=CC1(CC(=O)NC[C@@H]2CCCC(C)(C)C2)CCCCC1 1525549702 NJOZAENVZFZYEX-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C#C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(C)(C)C 1535510290 MSAHWPQYJJVWBY-GOSISDBHSA-N 297.442 4.512 30 10 CJEE C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@H]1C 1621138663 LUDWMOPQFOFUDP-SJLPKXTDSA-N 257.421 4.501 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CC(C)(C)C)C(F)(F)F 1621203825 RFDIKAVYIZLKBM-RYUDHWBXSA-N 265.363 4.688 30 10 CJEE C#Cc1cccc(NCC[C@@H](C)CCC=C(C)C)c1 1621231479 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VPDMAMZLGHQMGW-UHFFFAOYSA-N 299.245 4.757 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CCCC(C)(C)CC1 1658541733 QJQANBBHKJVSJP-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCCc1cccc(Cl)c1 1659641505 AVOMDCGAQVHWEN-WBVHZDCISA-N 277.839 4.607 30 10 CJEE C#CCCCCCCNc1ccccc1N(C)CCC 1665387073 OIIFIJHHCXHUIY-UHFFFAOYSA-N 272.436 4.528 30 10 CJEE N#CCc1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2)c1 1848376004 UDMQJLCGPJKXNA-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CCCC1CCC(CN(C)CC#CC(C)(C)C)CC1 1877937082 JILCARCFUJMQCS-UHFFFAOYSA-N 263.469 4.574 30 10 CJEE CCC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2cccs2)CC1 1878038793 HPYFKGJNCBVMFR-IHRRRGAJSA-N 275.417 4.531 30 10 CJEE CC#CCCC[C@]1(CNC2CC2)CCCC(C)(C)C1 1879650449 KPYJJIZWIUXDLV-SFHVURJKSA-N 261.453 4.519 30 10 CJEE C[C@@H]1OCC[C@@H]1CC[C@]1(C#N)CCCC(C)(C)CC1 1886366334 ZDCDFWVJBMVPDY-YQQAZPJKSA-N 263.425 4.692 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@@H]2CCC[C@@H]2C1 1886641972 JCMUZTQZLFQJIO-OWZKRDHZSA-N 283.459 4.891 30 10 CJEE 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2307612779 CPVWIGTZHSJWDV-SNVBAGLBSA-N 270.203 4.671 30 10 CJEE C=CC[C@@H](C)SCc1cc2sc(C(=O)O)cc2s1 2313521715 ASSXAIAGRYCBEF-MRVPVSSYSA-N 298.454 4.859 30 10 CJEE C=CCC(CC=C)SC[C@H](C[C@@H](C)CC)NCC 2313650905 KCJZUXSGIKPMAT-GJZGRUSLSA-N 269.498 4.655 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@H]1C[C@@H](SC)C1 2314263195 QPGRDTRMHKPSPL-OWCLPIDISA-N 269.498 4.633 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)c1scnc1Cl 2316703022 FMPUVHRSHJZIDU-LBPRGKRZSA-N 284.856 4.606 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Cl)ns1 2316744107 LCRLBCNKUWKAMH-CQSZACIVSA-N 284.856 4.606 30 10 CJEE C=CCCC[C@H](C[C@H]1CC[C@@H]1C(C)(C)C)NCC 2320252471 HXFQLPOUDJLMTR-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)[C@H]1CCC(C)(C)C1 2321108232 NSBVKTOGENNJNN-LSDHHAIUSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)ccc1C 2321108373 OYHYXCHNBBQPOK-HZPDHXFCSA-N 265.828 4.901 30 10 CJEE CCC[C@H](CC)COC[C@@H](CS)c1ccccc1 2328190980 QVMKZMJVHJQDIO-HOCLYGCPSA-N 266.450 4.543 30 10 CJEE C=CCCCCCCC[C@@]1(O)C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2333706389 MHYKZEKXKBMTMP-DISONHOPSA-N 262.437 4.700 30 10 CJEE SC[C@@H](COc1cccc(C2CCC2)c1)CC1CC1 2336354531 KQCRORIKUXFCJJ-CQSZACIVSA-N 276.445 4.679 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)C1CCC(C)(C)CC1 2337114697 SSGRIHQIAHBKKE-DJIMGWMZSA-N 263.469 4.926 30 10 CJEE C=CCCCCCCC(=O)[C@](C)(O)CCCC(C)C 2337729325 CNQKFZPGHXJPQA-QGZVFWFLSA-N 268.441 4.659 30 10 CJEE C=C(C)C[C@H](NCCC)c1cc(C)c(Cl)cc1OC 2341925323 YNGOZFDWPQKPPT-HNNXBMFYSA-N 281.827 4.664 30 10 CJEE CC(C)(C)[C@H]1CC[C@H]1Nc1cc(Cl)c(F)cc1C#N 2343131091 YOEYKPRWSOPGHN-GXFFZTMASA-N 280.774 4.587 30 10 CJEE C=CCC(C)(C)[C@H](C[C@]1(C)CCCCC1(F)F)NC 2344345934 YTUXNBPBOXVCMZ-ZFWWWQNUSA-N 273.411 4.782 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1CCCC1(F)F)NCC 2344349312 RPEDSQJYYNCJGU-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)c1cc(F)ccc1C(F)F 2344349765 WACDZDPJRJUEDE-UKRRQHHQSA-N 271.326 4.756 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)c(F)c1F 2344358753 WJUMLVRQSVSCKE-LSDHHAIUSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)c1nc2ccccc2s1 2344394797 GHEMJOLKHZQZJZ-HOCLYGCPSA-N 274.433 4.549 30 10 CJEE C=CC[C@@](C)(CC)C(=O)c1ccccc1OCCC 2344396372 NPYZSTHRZGXKJY-QGZVFWFLSA-N 260.377 4.651 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(F)cc(C(F)F)c1 2344397894 ULGUOLDHEUNJJB-CYBMUJFWSA-N 271.326 4.626 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1nc(C)cc2sccc12 2344456177 BKIUIKZYGHUGKA-HZPDHXFCSA-N 275.417 4.631 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C2CCC2)cc1 2344464660 VXHPGHJUOCARJX-QZTJIDSGSA-N 258.405 4.980 30 10 CJEE CCC(CC)(CC)CN(C)CC1(CS)CC(C)(C)C1 2345007162 WZZKDISNMIGVPQ-UHFFFAOYSA-N 285.541 4.871 30 10 CJEE CC(C)(C)[C@](C)(CS)COC[C@@H]1C[C@H]1C1CCCC1 2352107524 OJIMTQAIYIRFGR-ZOBUZTSGSA-N 284.509 4.812 30 10 CJEE C=CCCCS[C@@]1(C(=O)O)CCC[C@H](C(C)C)CC1 2352198434 QTGFPPZYCNGECB-HOCLYGCPSA-N 284.465 4.746 30 10 CJEE CCCCCCCCCC[C@@H](NCCC)[C@@H]1C[C@H]1OC 2356739773 AYHPQAYZHQSUIW-RCCFBDPRSA-N 283.500 4.920 30 10 CJEE C=CCCCCCCCC[C@@H](NN)[C@@]12CCC[C@@H]1CC2 2359789355 OOBBHFALGWRKQW-KZNAEPCWSA-N 278.484 4.705 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(C(F)(F)F)cc1 2360212968 NKGQVDMNESEQHU-GFCCVEGCSA-N 283.337 4.877 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2360335213 ZISVFPVOPGEROO-HYVNUMGLSA-N 276.420 4.657 30 10 CJEE CC(C)/C(=N\C1CCCCC1)C(C)(C)Br 2535688 SMQVFOUJIZZAGU-NTCAYCPXSA-N 274.246 4.590 30 10 CJEE CC[C@@H](CC#N)Nc1cc(Cl)c(Cl)cc1Cl 36678844 GAPSHGFCVPAXRO-ZETCQYMHSA-N 277.582 4.751 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)C(C)C)C1 36787297 JMYHKSLFDFEOGB-YLFCFFPRSA-N 278.484 4.707 30 10 CJEE CCCN(CCC)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C#N 37145884 VHPRXFWUXKFIJS-OTWHNJEPSA-N 284.447 4.584 30 10 CJEE N#C[C@@H]1CCCC[C@@H]1Sc1ccc(Cl)cc1 37154016 MDNOZEYUXIRNIN-GWCFXTLKSA-N 251.782 4.514 30 10 CJEE N#Cc1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 37203220 ZVENVZFDAUEAEN-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2cc(Cl)ccc2C#N)c(C)n1 37277944 VOYBTMDQIVHWKS-ZDUSSCGKSA-N 299.805 4.705 30 10 CJEE CC(C)(C)C1CCC(C#N)(Nc2ccccc2)CC1 37935317 AGAZPSJRDUTXED-UHFFFAOYSA-N 256.393 4.597 30 10 CJEE CC(C)c1ccc([C@H](C#N)Nc2ccccc2F)cc1 37938983 OQWVYZBGPWECEC-KRWDZBQOSA-N 268.335 4.626 30 10 CJEE Cc1ccc(C#N)c(N[C@@H](C)c2cccc(Cl)c2)c1 51579433 HOWMNDDFTNFPAA-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc2ccccc2c1 54825158 GJRTWBBGWZIJSZ-AEFFLSMTSA-N 264.372 4.724 30 10 CJEE Cc1cccc(OCC[C@@H](C#N)c2c(C)cc(C)cc2C)c1 57695671 CGJYEFWVKZMADG-SFHVURJKSA-N 293.410 4.997 30 10 CJEE COc1ccc(F)cc1[C@H](C#N)Cc1ccc(C(C)C)cc1 57744244 HRKFTXHALOAMOC-INIZCTEOSA-N 297.373 4.808 30 10 CJEE CCCCCCCCCN1CCCc2cc(N)ccc21 59089480 HOADXBOUPXEHNB-UHFFFAOYSA-N 274.452 4.772 30 10 CJEE CCOc1ccccc1/C=N/c1ccc2ccccc2c1 59514095 PDQTZYFBZOUPHL-XSFVSMFZSA-N 275.351 4.989 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCO[C@H](CCC)C1 70357446 JSCAFAXVFXHVIT-HUUCEWRRSA-N 291.460 4.724 30 10 CJEE CCc1sc(-c2cc(C)c(C)cc2OC)cc1CC#N 77097625 JDFGYGDVWBGUFP-UHFFFAOYSA-N 285.412 4.669 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCC[C@@H](C2CC2)C1 81642522 PJXSVMDNTSXYSY-CJNGLKHVSA-N 274.795 4.614 30 10 CJEE CCC(CC)(CC)Nc1ccc(C#N)cc1Cl 86643812 VFKDLSUIZNENPA-UHFFFAOYSA-N 250.773 4.592 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(C[C@@H]2COc3ccccc32)C1 92307660 JDHJBUCCKWXFJS-RKVPGOIHSA-N 269.388 4.663 30 10 CJEE N#Cc1ccc(NCc2cc(Cl)cs2)cc1Cl 93093477 GNXONMOKPJJQSN-UHFFFAOYSA-N 283.183 4.539 30 10 CJEE C=CCCC[C@@H](O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547097 AYGWABXMUZZTRC-MFJUZZNBSA-N 262.437 4.700 30 10 CJEE C=C1/C(=N/OC(=O)Nc2ccc(C)cc2)C[C@H]2C[C@H]1C2(C)C 103610366 DYPOGWKRZPIPFG-RTOAOTRLSA-N 298.386 4.522 30 10 CJEE CCCCCCCNc1ccc(N(C)C)c(Cl)c1 103974628 LFAZGOUFCPABQE-UHFFFAOYSA-N 268.832 4.788 30 10 CJEE C#C[C@@H](C)Cc1cc(Cl)cc(C(C)C)c1OCC 107633018 GCABVECKKBNOOQ-GFCCVEGCSA-N 264.796 4.674 30 10 CJEE CCCCCCCCCCCC(=O)Nc1c(C)n[nH]c1C 109477609 OONIXNWABFNOCJ-UHFFFAOYSA-N 293.455 4.886 30 10 CJEE CCCCCCCCO[C@@H](c1cccs1)[C@@H](N)CC 109988732 DFERJNLOLIXYFP-GOEBONIOSA-N 283.481 4.904 30 10 CJEE N#Cc1cc(F)ccc1Oc1ccc(Cl)cc1Cl 111037012 TWMKCQPVXUGHAE-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCCCCCN1CCC[C@H](CNCCC)C1 111610796 RHRGGZIIUIVUIR-LJQANCHMSA-N 296.543 4.839 30 10 CJEE CCCCCCCn1ccc2ccc(CNCC)cc21 112933708 NGPNASSRPLNXPD-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCCCN(C)C1(CC(=O)O)CCCCC1 115711095 FIUODNONRLIGHB-UHFFFAOYSA-N 297.483 4.846 30 10 CJEE CC(C)(C)c1ccc(-c2cccc(F)c2C#N)cc1 122162637 OPBMTNADIKIZRY-UHFFFAOYSA-N 253.320 4.662 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1C#N 123674723 IOEXMQOWLXWCDJ-SWLSCSKDSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCCNC(=N)c1ccccc1 124907693 AVAKIBOHNAMUSQ-UHFFFAOYSA-N 260.425 4.742 30 10 CJEE CCCCCCCCC[C@@H](O)CCC[C@H]1CCCO1 126174869 ZLXHWZIOXUBWHK-SJORKVTESA-N 270.457 4.837 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)CC1 126273068 WTPJUSONXHIXCF-BBRMVZONSA-N 274.383 4.714 30 10 CJEE N#Cc1cc(F)c(Oc2ccc(C(F)(F)F)cc2)c(F)c1 127473932 BVBJNTQWCKORQS-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE N#Cc1ccc(Cl)c(NCc2ccc3ccccc3c2)c1 127760985 SIYVBYZIVBBBBC-UHFFFAOYSA-N 292.769 4.977 30 10 CJEE CCCCCCCCN[C@H](C)c1ccc(C)cc1O 160791032 VEDBBHJNESKFIF-OAHLLOKOSA-N 263.425 4.712 30 10 CJEE CCCCCCC[C@@H](O)c1cc2c(s1)CCSC2 168220310 QHGDTMCXSIQVSE-CYBMUJFWSA-N 284.490 4.931 30 10 CJEE CCCCCCCCC[C@@]1(CNCCC)CCCOC1 203409235 NXILAFPUOMYDRU-SFHVURJKSA-N 283.500 4.924 30 10 CJEE Cc1cc(C#N)ccc1O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 203441032 HFSNRCWNSNMPLQ-MZMPZRCHSA-N 271.404 4.706 30 10 CJEE CCCCCCCCCc1nc2c([nH]1)C[C@@H](C)CC2 216969579 HIBOESKOXZZXTD-AWEZNQCLSA-N 262.441 4.828 30 10 CJEE CCCCCCCCCCC(=O)C1CCC(CN)CC1 226692157 XHTIEEZUNBSVEI-UHFFFAOYSA-N 281.484 4.851 30 10 CJEE C#CCCCOc1cc(C(C)C)c(Cl)cc1C 227910551 UWQDLQKMYYSVPG-UHFFFAOYSA-N 250.769 4.564 30 10 CJEE CC1(C)CC(=O)C=C(c2ccc(F)c(C(F)(F)F)c2)C1 228464650 VRAPIBXFLACKBV-UHFFFAOYSA-N 286.268 4.617 30 10 CJEE C=CCC[C@H](C)Nc1ccc(F)c(C(F)(F)F)c1 228825056 IGUDHJQMLUZUPS-VIFPVBQESA-N 261.262 4.611 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C[C@@H]2CCC3(CCCC3)O2)C1 229465583 YUNLFIUHZDTCRB-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE C=CCCOCCNC(CCCCC)CCCCC 231801505 IREIGUUDNVHNTF-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE CCCCCCCC(=O)c1c(C)cc(C)cc1F 232936015 FJPHTSWWPLTPAH-UHFFFAOYSA-N 250.357 4.986 30 10 CJEE CCCCCCCCC[C@@H](C#N)N1CCCCC1 232956867 XWDHBNRVBISHMG-INIZCTEOSA-N 250.430 4.505 30 10 CJEE C=CCCCCC[C@@H](NC)c1ccc(F)cc1Cl 234459979 IHFWFUQIKPMTQN-OAHLLOKOSA-N 269.791 4.876 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)ccc1Br 235767679 PIQDFHBCCGCUFM-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE Cc1cccc(NCc2ccc(Cl)c(Cl)c2)c1C#N 235905086 RAQFXBQHWZBHIJ-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE N#Cc1ccc(F)cc1CNc1ccc(Cl)cc1Cl 236192348 IDKFQVJFHJXZDX-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 253049641 SUYNCLZMMMGVFU-MUGJNUQGSA-N 283.459 4.687 30 10 CJEE COc1ccc2ccccc2c1C=Nc1ccc(C)cc1 254410179 DZHMABUMDXCDJJ-UHFFFAOYSA-N 275.351 4.907 30 10 CJEE Cc1ccc2nc(O)c(C=Nc3ccc(C)c(C)c3)cc2c1 254876171 JWRZSLIIPGKCKZ-UHFFFAOYSA-N 290.366 4.616 30 10 CJEE N#C[C@H]1CCC[C@H](c2ccccc2C(F)(F)F)C1 260558861 VQIJPYHREVWPRT-QWRGUYRKSA-N 253.267 4.503 30 10 CJEE CCCC(CS)(CCC)CN1CC(CC)(CC)C1 310888018 SXFZJURWBPEJBU-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CC(C)C[C@H](C)CNc1ccc(C(C)(C)C#N)cc1 311280542 ZGPLWSKDFXZSTE-AWEZNQCLSA-N 258.409 4.582 30 10 CJEE CCCC[C@H](C)N(C)c1ccc(C(F)(F)F)cc1C#N 312647276 IWBCKXJAKXVIII-NSHDSACASA-N 284.325 4.592 30 10 CJEE C[C@H]1CC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)C1 316784512 WDZADCWGMSJDOI-HZMBPMFUSA-N 271.187 4.541 30 10 CJEE O=CC1(C[C@@H]2CCC3(CCCC3)O2)CCCCCCC1 317122034 MGNAPBGRSPYULS-INIZCTEOSA-N 278.436 4.798 30 10 CJEE CC1(C)CCC(C=O)(CCCOc2ccccc2)CC1 317127633 HYDVPVLEQCCFGT-UHFFFAOYSA-N 274.404 4.631 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2CCCCC2(F)F)CC1 317216793 KOUBFWITVVJJMG-ZDUSSCGKSA-N 272.379 4.988 30 10 CJEE Cc1cc(CC2(C=O)CCCCCCC2)cc(Cl)n1 321049748 XMNVMMRCQXYSDU-UHFFFAOYSA-N 279.811 4.516 30 10 CJEE CCCCCCCCCCCCN[C@H](C)[C@H](O)CC 386834451 WNJJTHZKADHMCY-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1c(F)cccc1Cl 387400908 AQBDGQALHRLCMC-MRXNPFEDSA-N 299.817 4.503 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1c(F)cccc1Cl 387453827 QXYUBTICERHJAA-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](CNC(C)(C)C)C[C@@H]1CCCC(F)(F)C1 387464105 SFPJXERLCOJBAA-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=CC[C@H](CC)N[C@@H]1CCCC[C@@H]1c1ccccc1 393788875 XKEVOFAOZPLVAR-RCCFBDPRSA-N 257.421 4.657 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)CC2CCCCCC2)CC1 394621712 LTSYHYJJJPMBSS-MRXNPFEDSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@@H](CCN1CCCC1)NCC 395789411 FLNGNKMIESAGLV-SFHVURJKSA-N 282.516 4.591 30 10 CJEE CCCCc1ccc(NC[C@H](C#N)C2CCCC2)cc1 397225043 RAGSDVZBHPUHKY-KRWDZBQOSA-N 270.420 4.771 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnc(C)cc1C 397447514 NHWJWNSSHMWRCT-QGZVFWFLSA-N 262.441 4.839 30 10 CJEE C[C@@H](CC(F)(F)F)C[C@]1(C#N)CCc2ccccc2C1 402531250 VCTIGMXIWZBXAN-IUODEOHRSA-N 281.321 4.664 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 464537425 XLSKWLDZOOCECB-WBMJQRKESA-N 291.822 4.510 30 10 CJEE C=CCCCSc1nc2ccc(Cl)cc2o1 605075917 WWXIQHOUXPZFOR-UHFFFAOYSA-N 253.754 4.540 30 10 CJEE CCCCCCC[C@H](NCCC)[C@@]12CCC[C@@H]1OCC2 687404965 WVSJTRARBPEDBS-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CCCCCCCC[C@H](NC)C1C[C@@H]2[C@@H](C1)C2(F)F 693392221 LIIVUIBRJGXUQP-KFWWJZLASA-N 273.411 4.616 30 10 CJEE CN(c1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1C1CC1 695870143 GXJNVXIGLIJVQK-GOEBONIOSA-N 288.822 4.617 30 10 CJEE C[C@@H](CC(C)(C)C#N)Sc1nccc2ccccc12 695884285 NIVNRALZXJQAGT-LBPRGKRZSA-N 270.401 4.655 30 10 CJEE CCCCCCCn1c(S)nc2c(F)cc(F)cc21 703735946 VRZCLKKOPZEDAY-UHFFFAOYSA-N 284.375 4.574 30 10 CJEE C[C@@H]1C[C@@H](N(C)c2ccc(Cl)cc2C#N)CC(C)(C)C1 709181210 CBDFLVWNLOTMCE-IUODEOHRSA-N 290.838 4.863 30 10 CJEE CC[C@](C)(/N=C1/NC2(CCCCCCC2)CS1)C1CC1 713209045 RZIQUROKZHFHHN-INIZCTEOSA-N 294.508 4.741 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 715733571 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LLJSDSJVKCCJEM-MRXNPFEDSA-N 292.448 4.568 30 10 CJEE CCCCCCCC[C@@H](NN)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233525072 HIQLFTMSQLXCLD-VSZNYVQBSA-N 280.500 4.785 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)C(C1CCC1)C1CCC1 2233781347 GKPJBTUPHIOISI-QGZVFWFLSA-N 275.480 4.621 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@@H]21 2233798084 JBOOZFOAALDXAB-HCXYKTFWSA-N 275.480 4.765 30 10 CJEE CC(C)N[C@]1(C#N)CC[C@@H](SCCCCCC2CC2)C1 2235465187 NJXFZTGHRSKSLA-IAGOWNOFSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCC[C@@H](NC)c1ncccc1CC 2235532239 IGLQQIOKFZWZEB-QGZVFWFLSA-N 274.452 4.821 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H](OC)C1CCCC1 2235540284 VROGRKQGUHNLRF-MSOLQXFVSA-N 281.484 4.696 30 10 CJEE CN(C[C@H](C#N)C(C)(C)C)[C@@H]1CCC[C@@H](C(C)(C)C)C1 2238153323 ACPCQAWRHISXOU-OWCLPIDISA-N 278.484 4.709 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@H](N=C2NC3(CCCC3)CS2)C1 2238172135 YYEOXLBRGHSPRD-KGLIPLIRSA-N 294.508 4.597 30 10 CJEE C=CC[C@](C)(NC[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(F)F 2239209502 XGEYRZBAYZMIMF-ANQUJSFKSA-N 285.422 4.782 30 10 CJEE CCCCCCCCCOC[C@H](NCC)c1nccs1 2239468971 RJJAGCYZEWUVCT-HNNXBMFYSA-N 298.496 4.561 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@H]1CNCCC 2239501316 LTNOFMYTBVRDGT-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCC[C@H](C#Cc1ccc(C)cc1)NCCC 2239741513 PANCWWNMMVBYKY-LJQANCHMSA-N 271.448 4.685 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccc(OC)cc1C 2240616232 ODHUKRZHCQMNBY-SFHVURJKSA-N 278.436 4.962 30 10 CJEE CC/C=C\CCO[C@](C)(CCCCCCCC)C(=O)O 2240618642 VQHCMUUFCCYTBJ-NBEHIINDSA-N 284.440 4.953 30 10 CJEE CCCCCCC[C@H](N)c1nccc2sccc12 2256832586 LOGRUXFIJOZAFL-ZDUSSCGKSA-N 262.422 4.657 30 10 CJEE CC(C)CCC[C@H](C)CCOCC#C[Si](C)(C)C 2257255798 IQEIYFKCRVSZAY-INIZCTEOSA-N 268.517 4.736 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1c(F)cccc1Cl 2259203398 VDNHLCOYHSMJLH-OAHLLOKOSA-N 269.791 4.790 30 10 CJEE C=C(C)CCCC[C@H](O)[C@]1(C)CCCC(F)(F)C1 2259242098 SNMPZUGCXNCCCR-UONOGXRCSA-N 260.368 4.699 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@@H]1[C@H]2CCC[C@H]21 2263659399 GSFZCPSXDCZDOE-LTIDMASMSA-N 251.458 4.891 30 10 CJEE CCCCCCCC[C@@H](O)CC1(C)CC(F)(F)C1 2263664144 GWDGFCJQRKRTRH-CYBMUJFWSA-N 262.384 4.923 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc2ccsc2c1 2263967192 YVEUTYHTAKDINU-IUODEOHRSA-N 259.418 4.764 30 10 CJEE C=CC[C@@H]1CCCCN(CC[C@@H]2CCCC23CC3)C1 2266599401 XXVNHABUGVTRMY-SJORKVTESA-N 261.453 4.635 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1cc(C)ccc1Cl 2268021414 BHIOQSWUTOTTEG-INIZCTEOSA-N 293.914 4.570 30 10 CJEE C=CCCCCCCCC[S@@](=N)(=O)CCC(F)(F)F 2268383995 HZGMDDOGIMPAAC-LJQANCHMSA-N 299.402 4.902 30 10 CJEE CCCCCCC[C@H](NN)c1cc(C)c(Cl)cc1C 2269912671 KKWLKSLTICPDDX-INIZCTEOSA-N 282.859 4.822 30 10 CJEE Cc1cc2sccc2c(CC=CC#CC(C)(C)C)n1 2270622910 CZEIORMJAPPBLR-UHFFFAOYSA-N 269.413 4.753 30 10 CJEE C=CCCCCCCCS[C@H]1CCCC2(CC2)[C@H]1N 2271589944 IXRPAFHUXNBRPF-HOTGVXAUSA-N 281.509 4.906 30 10 CJEE C=CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C#N 2271591696 SLTDFVUUPDMSCE-YESZJQIVSA-N 271.429 4.772 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1ncsc1C1CC1 2271785403 MNTLMHGSUNZLOP-CQSZACIVSA-N 278.465 4.808 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1csc(CC)n1 2271789765 FOIYHXGAXOLTJC-CQSZACIVSA-N 280.481 4.883 30 10 CJEE C=C(C)CCCC[C@H](O)c1cc2cc(C)ccc2o1 2271837959 ZVXCPFQYYKOZPS-HNNXBMFYSA-N 258.361 4.911 30 10 CJEE CC1(C)CCC(C)(C)[C@@](N)(C#CC2CCCCC2)C1 2274459309 RJSUDFBTHNJTQH-GOSISDBHSA-N 261.453 4.504 30 10 CJEE C=CCCCCCC[C@](CC)(OCCN)C(C)(C)C 2276157638 ATRKUJKWZQFBPA-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@H](OCCCN)[C@@H]1C[C@@H]1CCC 2276746277 KWUOAZKLTMTJCI-BBWFWOEESA-N 269.473 4.517 30 10 CJEE C=CCCCCCCC[C@@H](OCCN)[C@H](C)CCC 2276826692 MZUWUFVHUYJKKW-IAGOWNOFSA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@@](C)(CC1(C)CCC1)OCCN 2277356124 HKCJSHREHFEBON-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=C(Cl)C[C@@H](NC)[C@](C)(O)CCCCCCCCC 2278243468 FVBGLWJVHACTRD-HZPDHXFCSA-N 289.891 4.609 30 10 CJEE CCCCCCCCC[C@H](C)NCCCCOCC 2278245495 GMDDXBBUQKTOAD-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE C=CCC[C@@H](C)[C@@](N)(c1ccccc1)C1CCCC1 2278331779 AJIPGTNVTXJJRV-CRAIPNDOSA-N 257.421 4.633 30 10 CJEE C=CCCCOCCCCCCCCCCC(=O)O 2278760680 NAVUAPSEVYDDGW-UHFFFAOYSA-N 270.413 4.565 30 10 CJEE N#Cc1ccc(Cl)cc1NCC[C@@H]1CCCCC12CC2 2279742821 ZHSLEVMCTXEPTL-AWEZNQCLSA-N 288.822 4.984 30 10 CJEE CCSc1cccc(N(C)C[C@H]2CCC2(C)C)c1C#N 2281030535 RIFFIUDTVDXTTP-CYBMUJFWSA-N 288.460 4.543 30 10 CJEE Cc1cccc(SCC(=O)CC=CC#CC(C)(C)C)c1 2284077662 VEUJRHMUPWIUAN-UHFFFAOYSA-N 286.440 4.652 30 10 CJEE CCC[C@@H]1CC[C@H](NC)[C@H](CC=CC#CC(C)(C)C)C1 2284086065 MPXAIKAJMKKUPY-KURKYZTESA-N 275.480 4.787 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](O)[C@]1(C)CCCC(F)(F)C1 2284137008 JHBPRFMIBXIUKM-GDBMZVCRSA-N 284.390 4.559 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)cc(F)c1F 2284159103 PRNFEMCVCYVOEC-AWEZNQCLSA-N 297.776 4.614 30 10 CJEE CCN[C@@H](CC=CC#CC(C)(C)C)C1(C2CCC2)CC1 2284179287 PMKYXSQHMTUXSC-KRWDZBQOSA-N 273.464 4.541 30 10 CJEE CCCCCCCCCC[C@H](O)C[C@@H]1C[C@]1(C)COC 2284644385 CSQXZSNUIYTZDL-FGTMMUONSA-N 284.484 4.941 30 10 CJEE C=C(C)CCCC[C@@H](NN)c1ccccc1C(C)(C)C 2287467799 PZTOJMHWYZHVPX-QGZVFWFLSA-N 274.452 4.625 30 10 CJEE C=C(C)CCCCOc1ccc(CNCCC)cc1C 2287469893 KTLBVTHXJZTLTM-UHFFFAOYSA-N 275.436 4.620 30 10 CJEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)c(F)c1 2289683209 BTTGVUJSRIECDO-QGZVFWFLSA-N 293.813 4.713 30 10 CJEE C=CCC[C@@H](C)[C@H](CCCCCCCC)OCC(=O)O 2291004800 NIDMRHMEKRFTGK-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=CCCCC[C@]1(OCC(=O)O)CCCC(C)(C)CC1 2291458902 HJWHOJKUIFCOIY-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(=O)O)C(F)(F)F 2291707535 NPLLADOFXHHOQK-CYBMUJFWSA-N 298.345 4.549 30 10 CJEE CCCCCCC[C@](C)(OCCC(=O)O)[C@H](C)C(C)C 2292078580 XTFUPRSFYIYWIG-WBVHZDCISA-N 286.456 4.889 30 10 CJEE C=CCCCCCC[C@]1(OCCCN)CCCC=C1C 2292764390 ARVIVMOKWSMDCM-SFHVURJKSA-N 279.468 4.747 30 10 CJEE CC(=O)C=C(Nc1cc(C)ccc1Cl)c1ccccc1 2293637507 MAYVNMRIMYKXBN-UHFFFAOYSA-N 285.774 4.690 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCC12CCCC2 2293891497 ZHBIAHGFISWKFF-GOSISDBHSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@@H]1CCC1(C)C 2294255550 ISDIQXHFWCPRBX-IRXDYDNUSA-N 283.500 4.907 30 10 CJEE CC1(C)CCC([C@@](C)(N)C#Cc2ccccc2Cl)CC1 2295225255 XDTJUYGCJYQLPC-SFHVURJKSA-N 289.850 4.625 30 10 CJEE CCCCCCCCC[C@@H](C)NCC(C)(C)C(C)(C)O 2295676113 IDOZXAVPRLAUNP-MRXNPFEDSA-N 285.516 4.902 30 10 CJEE C=CCC(CC=C)NCc1cccc(Cl)c1Cl 2298832670 XNSFMOVGSGUESJ-UHFFFAOYSA-N 270.203 4.604 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C)cc(Br)c1 2304042207 UOMQAGAQVQUHHA-LSDHHAIUSA-N 296.252 4.750 30 10 CJEE CCC[C@H](CC)COc1cc(Br)cc(C#N)c1 2307924015 WADXGUKPXJLBSW-NSHDSACASA-N 296.208 4.526 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]1C(F)(F)F 2308493077 GSJYPTCVQPFKKI-JHJVBQTASA-N 266.347 4.686 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H]1CC[C@@H]2C[C@H]12 2312118007 QBRWREHVMTZMST-QZWWFDLISA-N 250.426 4.700 30 10 CJEE C[C@H]1CC[C@H](CSC[C@H](C#N)C2CCCC2)CC1 2313810134 FOCWCZRZBASQHZ-DZKIICNBSA-N 265.466 4.876 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H]1C[C@H](SC)C1 2314262386 VFSOYPCPEJWJPX-JYJNAYRXSA-N 269.498 4.633 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](CC1CC1)C1CC1 2320700902 SSBVYIPXIPNQMJ-IRXDYDNUSA-N 251.458 4.891 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1c(C)sc(C)c1C 2321133453 GIVLVPGZUPIPKN-ZBEGNZNMSA-N 265.466 4.926 30 10 CJEE CC[C@H]1CCCC[C@@H]1OCC1(CS)CC(C)(C)C1 2321710821 PXYMANYOGAUVJP-KBPBESRZSA-N 270.482 4.708 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@H](CC)CCC)C1 2328279487 WLPPLVGSOBZPDM-INIZCTEOSA-N 251.458 4.785 30 10 CJEE C#CCCCCC[C@@H](O)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2329821546 JVHABILWOIDPNP-WNRNVDISSA-N 262.437 4.538 30 10 CJEE C=CCC(CC=C)S[C@H]1CC2(CC[C@@H]1NCC)CC2 2335099117 RWEGGSKGKSOGEJ-HOTGVXAUSA-N 279.493 4.551 30 10 CJEE C#CC1(NCc2ccc(Cl)c(Cl)c2C)CC(C)(C)C1 2338660250 OJMUXKVENQUEOQ-UHFFFAOYSA-N 296.241 4.583 30 10 CJEE C=CCC(CC=C)C(=O)COc1ccc(Cl)cc1Cl 2338731757 CWEHTZRIOOTDQA-UHFFFAOYSA-N 299.197 4.710 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@H]1C[C@@H]2CCC[C@@H]2C1 2338741916 RJXOUOJIGSYUTJ-MHORFTMASA-N 261.453 4.559 30 10 CJEE CCCCCCCCCCCOC[C@@](C)(CC)CN 2343160844 KWSQBISKMDPAKT-KRWDZBQOSA-N 271.489 4.909 30 10 CJEE CC(C)c1cccc(C[C@]2(C#N)CCC23CCC3)c1 2343789540 QZXJVYUIPKAKKQ-SFHVURJKSA-N 253.389 4.827 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1cc(OC)ccc1Cl 2344340058 OHXULDHGTWERSF-CVEARBPZSA-N 281.827 4.602 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1cccc(Cl)c1F)NC 2344348869 OGGISZXHBGIKHR-GDBMZVCRSA-N 283.818 4.602 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)c(F)c1 2344358502 VQGXXLHFDUZPAA-ZUZCIYMTSA-N 287.781 4.871 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CC2(CCCC2)C1)NCCC 2344380184 KLSZTCYCBJJZSX-DOTOQJQBSA-N 263.469 4.927 30 10 CJEE FC(F)(F)CC1CCC(CC[C@@H]2CC[C@H]3O[C@H]23)CC1 2353167207 MVXHHVNDXSQQFA-YTPFDHIKSA-N 276.342 4.703 30 10 CJEE CSc1cc(N[C@@H](C)c2sccc2C)ccc1C#N 2353831182 IIKCHMSHDXLPIM-NSHDSACASA-N 288.441 4.823 30 10 CJEE CC[C@@]1(C)CCSC(=N[C@@H]2C[C@H]2C2CCCCCC2)N1 2357723075 AFUUPRAPFPUBNY-UXLLHSPISA-N 294.508 4.597 30 10 CJEE C=CCC(CC=C)OC(=O)CCc1ccc(C)c(Cl)c1 2360323662 JVPARHDHXXZOEK-UHFFFAOYSA-N 292.806 4.645 30 10 CJEE C=CCOc1ccc(CNc2ccc(SC)cc2)cc1 21811389 KUTSYQBSKHPHCD-UHFFFAOYSA-N 285.412 4.585 30 10 CJEE CC(C)(C)c1ccc(-c2nc3ccccc3n2CC#N)cc1 31936441 RVBGBMFSHMUFNT-UHFFFAOYSA-N 289.382 4.524 30 10 CJEE CCCN(CCC)[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 37145888 OXXVUDPNHNSHDT-IKGGRYGDSA-N 278.484 4.853 30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 37256610 VHRMVJFLKNGKIV-CMPLNLGQSA-N 282.309 4.568 30 10 CJEE CCc1ccc([C@@H](C#N)Nc2ccccc2Cl)cc1 37938152 OHOQDWBOXGUKAR-MRXNPFEDSA-N 270.763 4.579 30 10 CJEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1ccc(F)cc1 48855704 YSOXGDIOQJRZRZ-CQSZACIVSA-N 295.338 4.530 30 10 CJEE Cc1ccc(C)c([C@H](C#N)Nc2ccc(Cl)cc2)c1 49670614 QADAYFMRQNIRFF-INIZCTEOSA-N 270.763 4.634 30 10 CJEE N#Cc1cc(Cl)ccc1Oc1cccc2cccnc12 52859847 MPIHUSLBIDZCCP-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE Cc1ccc(C)c([C@H](C#N)CCOc2cccc(F)c2)c1 57695387 QLOUDSUQWFGMAK-HNNXBMFYSA-N 283.346 4.519 30 10 CJEE Cc1cc2nc(-c3cccs3)n(C[C@@H](C)C#N)c2cc1C 57801587 XMTHAJOPLZRHRV-NSHDSACASA-N 295.411 4.541 30 10 CJEE CCCCCCCCCNCc1ccccc1OC 59055641 UIEXAWVVGSEYHU-UHFFFAOYSA-N 263.425 4.535 30 10 CJEE Cc1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1C 76261828 QHACWOYTYGHBJZ-UDWIEESQSA-N 290.366 4.608 30 10 CJEE CCCCOc1cccc(-c2cc(C#N)c(CC)o2)c1 77077047 SNZBRRKIQMHWJS-UHFFFAOYSA-N 269.344 4.560 30 10 CJEE CC1(C)CCC[C@](C#N)(Nc2cccc(Cl)c2)C1 79980786 UZOSRLZXNPSEQR-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE Cc1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)cc1C 82252406 SIBIFWPGBMPJNX-KEBDBYFISA-N 292.304 4.768 30 10 CJEE Cc1ccc(C(C)C)c(OCC[C@H](C)CCS)c1 94582750 FADVTWGUXQWOCA-ZDUSSCGKSA-N 266.450 4.843 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CSc2ccccc21 97284216 YYVFJOBMVZUZCI-CVEARBPZSA-N 275.461 4.600 30 10 CJEE CCCCCCCCO[C@H](C)CCCNC(C)(C)C 103595537 RQVOEDVQJXSKEG-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1c(OC)cc(C)c(Cl)c1C 107626186 RWMGKJUMGWOGTM-ZYHUDNBSSA-N 264.796 4.728 30 10 CJEE CCCCCCCCO[C@@H]1CCCc2ccccc2[C@H]1O 110023416 MHGTXAOOUMZCBT-RTBURBONSA-N 290.447 4.802 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccc(C)cc1C 110083875 DCPARJUUYHVRDT-IBGZPJMESA-N 291.479 4.941 30 10 CJEE CCCCCCCCOc1cc(F)ccc1[C@@H](C)O 110369863 RUQAYZOQSZPUFG-CYBMUJFWSA-N 268.372 4.618 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CCOC 113434062 YSQQUFKINRRGFP-KRWDZBQOSA-N 271.489 4.922 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@@]1(C)CC 115222743 AOURPEQFEJAPOT-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCc1nnc([C@@H](CC)NCC)s1 115276857 XDEGJKCVXFVMHW-CYBMUJFWSA-N 283.485 4.502 30 10 CJEE CCCCCCCCC[C@H](O)c1cc(OC)cc(OC)c1 115652565 OHQZBHKZIPVAQA-SFHVURJKSA-N 294.435 4.878 30 10 CJEE CCCCCCCC[C@@H](O)c1cccc(F)c1F 115834754 QYYRLEGRLKARIE-CQSZACIVSA-N 256.336 4.749 30 10 CJEE CCCCCCCC[C@H](N)c1ccc2c(c1)OCCCO2 115855729 RQFLXEJMIXDUQE-INIZCTEOSA-N 291.435 4.598 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](CN)c1ccc(C)cc1 115863130 YZTWPUANXJCJAG-OALUTQOASA-N 291.479 4.539 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@H](CC)OCC 125004652 RQIMMTALZJNPMY-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H](OCC)C1(C)C 129261511 BWUWMRDSSCTZHU-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](NCC)C(C)(C)OCC 132412979 PKDZDYOYCUSILB-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCC[C@](C)(C#N)Nc1ccc(Cl)cc1 132723028 SDJNMAVBCVWWFI-CQSZACIVSA-N 250.773 4.614 30 10 CJEE CCCCCCCC[C@H](O)C1CCC(F)(F)CC1 135383094 MZZWASGYWOCADZ-AWEZNQCLSA-N 262.384 4.923 30 10 CJEE CCCCCCCCOc1cccc(SCC)c1CN 136561864 ABWJIMIDBBULCN-UHFFFAOYSA-N 295.492 4.997 30 10 CJEE CCCCCCCCC[C@H](NC)c1cc(C)nnc1CC 139514394 QUVKSEXFWLPTFE-SFHVURJKSA-N 291.483 4.749 30 10 CJEE CCCCCCCCC[C@H](NC)C1[C@H]2CCC[C@H]12 157808436 VZYKVIBGKNSVNM-JYJNAYRXSA-N 251.458 4.761 30 10 CJEE C=CCSc1ccccc1NCC(C)(C)CCC#N 162962825 GKZVNDQWXUWFCN-UHFFFAOYSA-N 274.433 4.707 30 10 CJEE CCCCCCCCOc1c(F)cccc1C[C@@H](N)CC 166332843 QKCOPZGLOXLYKD-INIZCTEOSA-N 295.442 4.845 30 10 CJEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1cccc(F)c1 166630203 XURFFGKFIBNZFT-OAHLLOKOSA-N 288.753 4.914 30 10 CJEE CCCCCCCCCCCCC(=O)CCCN 167360032 MSDCYAGALQJXDI-UHFFFAOYSA-N 255.446 4.605 30 10 CJEE Cc1cc(OCc2cccc(C#N)c2F)cc(C)c1Cl 222009002 XSYNYZIQKMWKTD-UHFFFAOYSA-N 289.737 4.547 30 10 CJEE C=CCCCCC[C@@H](NCCC)C1(OC)CCCCC1 233163309 PBGRTZINQBRJQS-QGZVFWFLSA-N 281.484 4.840 30 10 CJEE C#CCC[C@@H](NCCC)c1cc(Cl)sc1Cl 233165763 VAWWYPYDHZUCIU-SNVBAGLBSA-N 276.232 4.509 30 10 CJEE C/C=C(/CC)C(=O)c1ccc(-c2ccccc2)cc1 234115652 IDAKQOPRRHFYQK-BNNQUZSASA-N 250.341 4.893 30 10 CJEE C=CCCCCC[C@H](O)c1cc(C)cc(Br)c1 235762372 XCWPTWGHGBHPEW-HNNXBMFYSA-N 297.236 4.927 30 10 CJEE CCCCCCCCCCN1C[C@@H](CC)NC[C@H]1CCC 250837517 VTHQTANUNLKWDX-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCOc1cc(F)ccc1C(C)=NO 252430556 WZDLZUIDKAAZSD-UHFFFAOYSA-N 281.371 4.763 30 10 CJEE Cc1ccc(N=Cc2c(O)ccc3ccccc23)cc1F 252461954 OQMFXVDRXLJQKM-UHFFFAOYSA-N 279.314 4.744 30 10 CJEE N#C[C@H](COc1ccc(Cl)c2ccccc12)C(F)(F)F 300164046 HHTNAEHKFNGLEB-SECBINFHSA-N 299.679 4.574 30 10 CJEE C[C@@H]1CCCC[C@]1(C)Nc1cc(Cl)ccc1C#N 308727381 NCJJNBZZMONHSW-ABAIWWIYSA-N 262.784 4.592 30 10 CJEE C[C@]1(CC#N)CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 310413715 PHGYZBIRDXGVFM-QWHCGFSZSA-N 270.159 4.517 30 10 CJEE C=CCCCCN[C@H](C)c1ccc(C(C)(C)C)cc1 311862724 RFIOSCCMWPWWKG-OAHLLOKOSA-N 259.437 4.991 30 10 CJEE CCCCCCC[C@@H]1CC[C@@](C)(CNCC(C)C)O1 312072134 OGLIFRIFYDIGFS-SJORKVTESA-N 269.473 4.530 30 10 CJEE C=CCC(C)(C)CNCc1ccc2cc(OC)ccc2c1 314829755 XHYYJHGZOHPGEV-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE CC1CCC(C=O)(Cc2ccccc2C(F)(F)F)CC1 316906617 AFZTWKSOXDFTOQ-UHFFFAOYSA-N 284.321 4.643 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)Cc1cccc2ccccc12 317025833 RZTIIECEUWSMFK-DNVCBOLYSA-N 266.384 4.778 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(C)cc2Cl)C1 317371331 VYHAPAIFLOODTL-PBHICJAKSA-N 278.823 4.976 30 10 CJEE C=CCCCCC[C@@]1(CNCCC)CC[C@@H](C)C1 318507200 XNTCYUIMQJCOFS-IAGOWNOFSA-N 251.458 4.929 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cc(F)c(Cl)cc1F 379882436 SGLNLLZSWLRRNN-HNNXBMFYSA-N 299.792 4.708 30 10 CJEE C[C@H]1CCC[C@](C#N)(CCCOCc2ccccc2)C1 381880236 AFEHGHRYQHOIJT-WMZOPIPTSA-N 271.404 4.703 30 10 CJEE CCCNC[C@@H]1CC[C@@H](CC)C[C@H]1CC#CC(C)(C)C 383588087 JZBUAAUPPBGWOO-KURKYZTESA-N 277.496 4.868 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)C2(C)CCCCCC2)CC1 394680194 XYNBSCYYGMDORP-HNNXBMFYSA-N 277.452 4.818 30 10 CJEE N#CCc1ccc2c(Cl)csc2c1C(F)F 396190723 NWPUNROYWWYYBR-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCCC1)C1CCCCCC1 397354086 ZNJYZLFVYFPVBD-YJBOKZPZSA-N 276.468 4.655 30 10 CJEE N#CCc1cccc(N[C@H]2CC[C@@H](c3ccccc3)C2)c1 449692181 ANBPENCJJNWMAK-MJGOQNOKSA-N 276.383 4.501 30 10 CJEE N#Cc1cccnc1-c1ccc(Cl)c(Cl)c1Cl 514260855 VCDVLSDTQBRJAI-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C#CCCCCCN(C)[C@H](C)c1ccccc1Cl 686681492 SECWNEPODJZAQN-CQSZACIVSA-N 263.812 4.526 30 10 CJEE C#CCCCCC[C@@]1(O)CCCC[C@@H]1C(C)(C)C 686683437 JQDWBSJEWSHLBF-NVXWUHKLSA-N 250.426 4.538 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CCO[C@@H]2CC2(F)F)C1 688991619 CZEVVOJOOGCEBA-GFCCVEGCSA-N 285.378 4.547 30 10 CJEE N#Cc1ccc(Nc2cccc(SC(F)F)c2)c(F)c1 690180465 PWQQSWKXGYBWRQ-UHFFFAOYSA-N 294.301 4.756 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1CC1(F)F)NCC 691207778 SJUKXVFJUPJPHF-KGLIPLIRSA-N 261.400 4.760 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@@H]1CSc2ccccc21 692251461 IXQJYCYQEGHXOF-BFYDXBDKSA-N 287.472 4.600 30 10 CJEE CCCCCCCC[C@H](NC)[C@]12CCCC[C@@H]1C2 693239353 GTCXPZMSCSTTSK-IKGGRYGDSA-N 251.458 4.905 30 10 CJEE N#Cc1cc(Cl)ccc1NCC/C=C\c1ccccc1 695755527 DAIOTPXJNRYAAG-YWEYNIOJSA-N 282.774 4.727 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1NCc1c(Cl)cccc1Cl 696977176 YTIUNQPHHWOAFC-NHYWBVRUSA-N 297.229 4.555 30 10 CJEE CCCCCCCCCCN1CCC[C@H](C)[C@H]1CCO 700308072 ZWLYODORYQYMGZ-ZWKOTPCHSA-N 283.500 4.610 30 10 CJEE O=C(C1=CCCCCC1)c1cccc(C(F)F)c1 701242605 PKKTWPVBAYLUBJ-UHFFFAOYSA-N 250.288 4.697 30 10 CJEE C=CCCC(C)(C)CNCCC1CCCCCC1 703995631 KGPZAUZRVRIFBO-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H]1COC[C@@H]1C 705291704 PXXZJRVLMWNOSW-KSZLIROESA-N 283.500 4.907 30 10 CJEE CCSc1cccc(NC2(CC(C)C)CC2)c1C#N 706149689 BUWYLPVPDBKROA-UHFFFAOYSA-N 274.433 4.661 30 10 CJEE C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CC(C)(C)C1 708295787 UPKOISFHACKPQY-RYUDHWBXSA-N 276.811 4.838 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](CCC(C)C)C1CC1 709341601 DXWLOJXOOCJKIJ-BPQIPLTHSA-N 263.469 4.926 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl 709383090 STVLYJYPYBATPY-SMDDNHRTSA-N 294.782 4.795 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cccc2ccsc12 709970890 GVXBAKRESFMCIW-LLVKDONJSA-N 258.390 4.642 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccccc1OCc1ccccc1 715029209 LUQAAVFDKXZAPH-KXBFYZLASA-N 282.383 4.511 30 10 CJEE CCCCCCCCCCN[C@H]1COC[C@@H]1CC(C)C 716331327 WWCAFBUODBKAMC-ROUUACIJSA-N 283.500 4.778 30 10 CJEE C=CCCC(C)(C)NCc1ccc(C(C)(C)C)cc1 717910324 DYSRQKITKBGPLQ-UHFFFAOYSA-N 259.437 4.819 30 10 CJEE CCCCCCC[C@H](C)NCc1ncc(Cl)s1 719445058 YLWKRAOUZAXASY-NSHDSACASA-N 274.861 4.635 30 10 CJEE CC[C@@H](Oc1ccc(C(F)(F)F)c(C#N)c1)C1CCC1 719797816 URUAOYSKVDUQBN-CQSZACIVSA-N 283.293 4.535 30 10 CJEE CCCCCCCCCc1nc(C(=O)OCC)cs1 721001086 NNGIILAJUGGETL-UHFFFAOYSA-N 283.437 4.613 30 10 CJEE C=C1CCC(C[C@H]2CCc3ccccc3C2=O)CC1 724583391 MHQYXRDDZKKGGN-MRXNPFEDSA-N 254.373 4.568 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cc(OC)cs2)CC1 724597215 VFUGCHZQMURWHD-HNNXBMFYSA-N 279.449 4.544 30 10 CJEE CC/C(=N\OCc1ccccc1Cl)c1ccc(C)cc1 821216924 DSZPBAQGXDKSJX-HTXNQAPBSA-N 287.790 4.979 30 10 CJEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(Cl)cc1 821220092 XADQSLXOLUZQNC-HTXNQAPBSA-N 287.790 4.979 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1cccs1 1088696572 UEQZXCCUWJXVFL-LLVKDONJSA-N 283.183 4.732 30 10 CJEE C=CCC1(NC(=O)C(CCC)CCC)CCCCC1 1128926581 PJCBXTGEGQSZNG-UHFFFAOYSA-N 265.441 4.598 30 10 CJEE C#CCCCCCCNC1(c2cccc(Cl)c2)CC1 1168621860 BWCLPRUWQNCHHL-UHFFFAOYSA-N 275.823 4.502 30 10 CJEE C=CCN(CCCc1ccc(C(F)(F)F)cc1)C(C)C 1190589198 LTWPPCZWJYQADE-UHFFFAOYSA-N 285.353 4.534 30 10 CJEE C#CCCCCCCN1CCC[C@H]1CC1CCCC1 1195638720 LLYNSUPHULLVRL-SFHVURJKSA-N 261.453 4.615 30 10 CJEE Cc1ccc(Nc2ccc(C(C)(F)F)cc2)c(C#N)c1 1212676455 YAVMLISWKWGFPC-UHFFFAOYSA-N 272.298 4.722 30 10 CJEE C=CCCCCCCCCCO[C@@H]1C[C@@H]2CC[C@H](C1)N2 1217824264 ADGVKANAUYPQGU-PIIMJCKOSA-N 279.468 4.593 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 1290484154 FBTUXOVTZCZSPY-INIZCTEOSA-N 293.838 4.756 30 10 CJEE C=CCCC[C@@H](Nc1cc(CC)nc(C)n1)c1ccccc1 1307197003 LLJRZDGLMDIGBY-GOSISDBHSA-N 295.430 4.857 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCCc2ccc(F)cc21 1308732632 SQTDXQBPUAUNNL-WMZOPIPTSA-N 275.411 4.928 30 10 CJEE C=CC1(CC(=O)N2c3ccccc3CC[C@H]2C)CCCCC1 1349977917 UGJSGTOWCQWZIO-MRXNPFEDSA-N 297.442 4.881 30 10 CJEE C=CC[C@@H](C(=O)N1CC=C(C(C)(C)C)CC1)c1ccccc1 1447319805 WHKRQGIHTYGROZ-GOSISDBHSA-N 297.442 4.551 30 10 CJEE C=CCCN(C)CC(Cc1ccccc1)Cc1ccccc1 1474445639 HQLOZNVVJBVGHI-UHFFFAOYSA-N 293.454 4.596 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 1474576954 XBVDXIYCONKCJG-JFRXWTBNSA-N 271.448 4.588 30 10 CJEE CCCCCCC[C@@H](C)NC1CCC(COC)CC1 1474578689 FJXDQPWHUKICNS-KLAILNCOSA-N 269.473 4.530 30 10 CJEE C=C[C@@H](CC)CC(=O)Oc1ccc(CCCC)cc1 1521162636 QWCUOEHKBUAAPR-AWEZNQCLSA-N 260.377 4.537 30 10 CJEE C=CCCCCCCCNC(=O)C1CCCCCCC1 1527923673 HVYFMEXQPCPNFU-UHFFFAOYSA-N 279.468 4.990 30 10 CJEE C#CCCCCCC(=O)N(C(C)C)[C@@H](CC)c1ccccc1 1533781054 OUZIGYVOSHITKB-IBGZPJMESA-N 299.458 4.958 30 10 CJEE C=CCCCCN1C[C@H](c2ccccc2)CC1(C)C 1560187523 LFXSQVVTIUBBJB-QGZVFWFLSA-N 257.421 4.611 30 10 CJEE C=CCCC[C@H](C)NC(=O)Nc1cc(CC)ccc1CC 1562430985 RMBXVJQCEPRVPO-AWEZNQCLSA-N 288.435 4.678 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(N(CCC)CCC)cc1 1585354439 MCGWEBPCNGAFAY-UHFFFAOYSA-N 288.435 4.608 30 10 CJEE C=CCOCCS[C@@H](C)c1cccc(C(F)(F)F)c1 1614755396 TYZQWQIHHKIYAW-NSHDSACASA-N 290.350 4.702 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1CC 1617694179 PATHMGDHGYSXIN-UHFFFAOYSA-N 279.427 4.827 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(CC(F)(F)F)cc1 1621028813 QMGYMGWXYFADIO-UHFFFAOYSA-N 299.380 4.873 30 10 CJEE C#CCCCCCCN(C)[C@H](C)c1cccc(Cl)c1 1641543136 HVEAAHRHLYMURM-OAHLLOKOSA-N 277.839 4.917 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)CCc1ccc(F)cc1F 1652940938 QJMPGIFEXLRLPD-AWEZNQCLSA-N 295.417 4.868 30 10 CJEE C=C[C@@H]1CCCCN1Cc1cc(Cl)sc1Cl 1654323190 JZPFTNFAUXXGFJ-SNVBAGLBSA-N 276.232 4.595 30 10 CJEE C#CCC1(NCC2CCC(C)(C)CC2)CCCCC1 1654892227 ORWKBIKKDTZRGL-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE C=CCCCC[C@H](C)Nc1ccc(C2CCC2)cn1 1658226785 ZKIVCQYUEJEGDF-AWEZNQCLSA-N 258.409 4.896 30 10 CJEE C=CCCCCCN(C)C[C@@H](C)c1cc(F)cc(F)c1 1663889417 VSNCAMIJKKSUSC-CQSZACIVSA-N 281.390 4.747 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1ccccc1C(F)(F)F 1664833395 ZIIXZKRZEPDKCS-ZDUSSCGKSA-N 299.380 4.828 30 10 CJEE CCC(CC)=NOCc1ccc(Cl)c(Cl)c1 1860465843 UAQFLENQYMZOJP-UHFFFAOYSA-N 260.164 4.686 30 10 CJEE CCCCCCCCCC(=O)C12CCC(CC1)OC2 1878062332 ZQGGUIWAUKIEEM-UHFFFAOYSA-N 266.425 4.655 30 10 CJEE CC#CCCC[C@@H](CCCc1cccs1)NCCC 1879643776 JYOYPOBNTZFMPR-INIZCTEOSA-N 277.477 4.633 30 10 CJEE CC#CCCC[C@H](NCC)[C@@H]1CCC[C@H](CC)CC1 1879646147 CMKGKUUIWFFYBT-KSZLIROESA-N 263.469 4.765 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@@H](C)CC(C)C 1880995480 NBTZGLZPLUWXQP-KRWDZBQOSA-N 259.437 4.747 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H]1CCCC1(F)F 1882663381 BPODZCRYIMTWPG-MRXNPFEDSA-N 279.374 4.500 30 10 CJEE C=CCCCCCN(C)C[C@@]1(C)CCCCC1(F)F 1884236916 GVMQQIAXVZGJCK-OAHLLOKOSA-N 273.411 4.880 30 10 CJEE CC#CCCCC[C@H](NCC)[C@H]1CC(C)=C[C@H](C)C1 1885245765 XILUMDUROGGHHH-JQHSSLGASA-N 261.453 4.541 30 10 CJEE C=C[C@H](Nc1ccc(C(F)(F)F)cc1F)C1CCC1 1892933101 HKZJUJMNKUWFFU-LBPRGKRZSA-N 273.273 4.611 30 10 CJEE C=C[C@@H](N[C@H](c1cccs1)C1CCCC1)C1CCC1 1892935680 ZRELHMKOTLPHOE-WBVHZDCISA-N 275.461 4.924 30 10 CJEE C=CC[C@H](C)[C@H](N)c1c(Cl)ccc(Cl)c1Cl 1901182046 VHUPLEWOUBJVRV-MADCSZMMSA-N 278.610 4.859 30 10 CJEE SCCCCCCCCCN1CC2(CCCCC2)C1 1915578273 ZRZLRTBXUDRQLI-UHFFFAOYSA-N 283.525 4.913 30 10 CJEE CCC[C@@]1(C)CSC(=N[C@@H]2CCC3(CCCCC3)C2)N1 1915901885 JGMDBSRVVZKCOO-ZBFHGGJFSA-N 294.508 4.741 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)c1cccc(SC)c1 1919409581 SVLPUEZVQPQHML-QGZVFWFLSA-N 294.460 4.703 30 10 CJEE CCC(C)(C)c1ccc(OC[C@H](C#N)C(C)C)cc1 1925866579 DMGKZTPOFPEOPY-AWEZNQCLSA-N 259.393 4.549 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)[C@@H](C)CC(C)(C)C#N 1931996140 FTZNXSQPEOOKMX-DLBZAZTESA-N 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C=CCCCCCCCCO[C@H](CNC)CC(C)C 2225690719 LIWVAIFAJBLMLX-KRWDZBQOSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCC[C@@]1(C(=O)O)CC12CCCC2 2227265175 HLHWOEPBZNKPRJ-KRWDZBQOSA-N 264.409 4.938 30 10 CJEE C=CCCCCCCC[C@H](N)[C@]12CCC[C@@H]1CSC2 2227273778 IHLWAEAKIPJXQJ-IKGGRYGDSA-N 281.509 4.764 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1C[C@@H]1C1CCC1 2227275967 ZQLLQEKERUYBKG-KURKYZTESA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](N)Cc2cccc(Cl)c2Cl)CC1 2227509014 PJJCSDCBDLAXFH-AWEZNQCLSA-N 298.257 5.000 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@H]1C[C@@H]2CSC[C@@H](C2)C1 2228475504 RANDCAOFCORJHS-YYIAUSFCSA-N 281.509 4.620 30 10 CJEE C=CCCCCCCC(=O)C1C[C@H]2CSC[C@H](C1)C2 2228483382 ONDSWYCRPMLDAA-GJZGRUSLSA-N 280.477 4.861 30 10 CJEE C=CCC[C@H](C[C@@H]1CC[C@H]2CCCC[C@@H]2C1)NCC 2230661436 KGEYJWJDJSWSHY-BRSBDYLESA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCCO[C@@H]1CNC(C)(C)C1 2231077016 VGBSZJVMZYFMBW-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC1(OC)CCC1 2231904306 CMEPYYFQDCYSNY-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE CC=CCCCC(=O)[C@](C)(O)CCCCCCCC 2231926843 ZKMPCSRLDPCWJN-QGZVFWFLSA-N 268.441 4.804 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H](CCC)OCC 2231929064 NWBKIOJMFVATSW-IRXDYDNUSA-N 271.489 4.920 30 10 CJEE CCCCCCCC[C@H](C)NCC[C@@H]1CC[C@@H]1OC 2231930182 UJPXAKIUDAHDJG-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cccc3ccoc23)CC1 2232399351 LPBSOHOFVOBRAT-GFCCVEGCSA-N 254.329 4.752 30 10 CJEE CCCCCCC[C@@H](NCC)c1cc(Cl)cnc1OC 2232986682 ZPHVEWLMGBVRBG-OAHLLOKOSA-N 298.858 4.755 30 10 CJEE C=C([C@H](NC)[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)C(C)(C)C 2233647263 GZWYBYXVPBCASY-XGUBFFRZSA-N 285.422 4.638 30 10 CJEE CCCC#C[C@H](NCCC)[C@@H]1CCC[C@H]2CCCC[C@H]21 2233798088 JBOOZFOAALDXAB-MKXGPGLRSA-N 275.480 4.765 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@H]2CNCC[C@@H]21 2233833063 QGBJVVDSWBIASM-OKZBNKHCSA-N 281.484 4.532 30 10 CJEE CCCC#CC(=O)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2233871641 QBFRYORFDKDEPL-AFGAAMFOSA-N 272.432 4.746 30 10 CJEE C#CC[C@H](C[C@@H](NCCC)c1scc(C)c1C)C1CC1 2234257270 YHNYCEINRKCOFJ-IAGOWNOFSA-N 289.488 4.845 30 10 CJEE CCCCCCCC[C@H](O)[C@H](NC)c1scc(C)c1C 2234304870 CWDGIHYNBRISSS-HOTGVXAUSA-N 297.508 4.737 30 10 CJEE C=CCCCCCCCNC[C@H]1CC[C@]2(C1)CC2(F)F 2235522142 QQGWTXGKJRGDBY-HOTGVXAUSA-N 285.422 4.928 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1CC 2235524213 NWQMNUGJIAECFM-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCOc1ccc2c(c1)CCCO2 2235535939 ROFFBYHWJDUVCO-UHFFFAOYSA-N 274.404 4.917 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@H](O)c1ccc(C)s1 2235542414 RXVBPBJKUNIVCE-WBVHZDCISA-N 295.492 4.595 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1NC 2239454746 MRHHXCDELGUFED-IAGOWNOFSA-N 283.500 4.920 30 10 CJEE CCCc1ccc(C#CC(=O)c2csc(C)c2C)cc1 2239668808 KAIGENGPECUWPT-UHFFFAOYSA-N 282.408 4.552 30 10 CJEE CCCCCCCC[C@]1(CN[C@H](C)CC)CC=CCO1 2240103785 WKGHZQVEDWNVER-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@@H](C)O[C@H]1C 2240191689 UTPZMJXMOCZCMK-ZJPYXAASSA-N 283.500 4.919 30 10 CJEE CCCCCCCC[C@](C)(O)C1(CN)CCCCCC1 2240616881 XGSGPCWKSYYOIE-KRWDZBQOSA-N 283.500 4.787 30 10 CJEE CCCCCCCC[C@@]1(C)CCC[C@@H](CNC2CC2)O1 2240622456 TXIZRXWVMZPMJE-ROUUACIJSA-N 281.484 4.817 30 10 CJEE CCCCCCCC[C@](C)(O)c1cn(C)nc1C(C)C 2240629332 RIDAJXSATBMPPA-KRWDZBQOSA-N 280.456 4.502 30 10 CJEE CCCCCCCC[C@H](C)Nc1ccc(C(=O)O)cc1 2240666339 LXNRHCPFYRRLJN-AWEZNQCLSA-N 277.408 4.936 30 10 CJEE C=C(C)CC[C@@H](N)c1sc(Cl)cc1Br 2242110662 SVJRQIWVYHWNPG-MRVPVSSYSA-N 294.645 4.520 30 10 CJEE CCCCCCC[C@@H](N)c1ncc(Br)cc1C 2248979366 QZUILFFYIFIWSU-CYBMUJFWSA-N 299.256 4.513 30 10 CJEE CCC(=CC(=O)C[C@@H]1CC(F)(F)C12CCC2)CC 2255011254 FPTIPRXDYDSRBI-GFCCVEGCSA-N 256.336 4.518 30 10 CJEE N#C[C@@H]1CCCC[C@H]1SC[C@@H]1CCCCC1(F)F 2256100578 ZCRGBJHTDILSEH-RWMBFGLXSA-N 273.392 4.627 30 10 CJEE C=CCCCCCCCS[C@@]1(C)CCC[C@@]1(C)O 2259002592 ZERXRALAHBTAAT-CVEARBPZSA-N 270.482 4.940 30 10 CJEE C=CCCCCCCCSCC[C@H]1CCCCN1 2259052518 YXBDIYRPYOZGBZ-MRXNPFEDSA-N 269.498 4.778 30 10 CJEE C=C(C)CCCC[C@H]1CCOC2(CCSCC2)C1 2259193279 CFWMMBUVGNGKQQ-HNNXBMFYSA-N 268.466 4.815 30 10 CJEE C=C(C)CCCC[C@@H](CCC(F)(F)F)NCCC 2259196886 QLTVUKIJYTXGHI-ZDUSSCGKSA-N 265.363 4.834 30 10 CJEE C=C(C)CCCC[C@](C)(O)[C@H]1CC2CCC1CC2 2259236368 BAIBRQAJFORLGK-GQGLESIBSA-N 250.426 4.700 30 10 CJEE C=C(C)CCCCNCc1cscc1C(F)(F)F 2259245566 VSYRQRTXAMFTMX-UHFFFAOYSA-N 277.355 4.603 30 10 CJEE CC(C)CCC[C@H](C)CCC1(C=O)CCSCC1 2259624906 MYJGMFHDQKYFQY-HNNXBMFYSA-N 270.482 4.941 30 10 CJEE C=C[C@@H](C)C[C@@H](NCCC)c1ncc(C(C)(F)F)s1 2264519707 GWYQRGSVORENNI-GHMZBOCLSA-N 288.407 4.508 30 10 CJEE Cc1cc(Cl)c(Cl)cc1C(=O)[C@@H](C#N)[C@@H]1CC1(C)C 2270976818 UKPBXRZOLDYAQY-QWRGUYRKSA-N 296.197 4.670 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C(C)C)CC[C@H]1NCCC 2271498577 RZLFORBGISAASH-BRWVUGGUSA-N 283.525 4.879 30 10 CJEE CO[C@@H](CC(C)(C)C)CC1(C#N)CCC(C)(C)CC1 2271708338 GKSKGZNOWRRKNH-AWEZNQCLSA-N 265.441 4.938 30 10 CJEE CCC(C)(C)C1CCC(N)(C#CC2CCCC2)CC1 2273981095 WSDYHTZLUSYVFF-UHFFFAOYSA-N 261.453 4.504 30 10 CJEE CC1(C)CCC[C@@H]([C@](C)(O)CC#CC2CCCC2)C1 2274165173 SBXJPVUELSWZNL-SJLPKXTDSA-N 262.437 4.538 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)C(C)C 2275633799 YHHWZHQSNPBQRU-INIZCTEOSA-N 272.429 4.643 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCC=C1CC 2276779908 RWMNHRWLKHEDHN-KRWDZBQOSA-N 267.457 4.581 30 10 CJEE C[C@@H]1C[C@H]2CCCC[C@H]2N(CCCCCCCS)C1 2277500409 CWSCKBMMPDETGE-BRWVUGGUSA-N 283.525 4.767 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)C1C2CC3CC(C2)CC1C3 2277557592 QSRHDLVQZAGPPI-OGDRVSEWSA-N 257.421 4.779 30 10 CJEE CCCCCCSCCC[C@](C#N)(CC)NC1CC1 2278316411 DGNOGXFSZZWUEH-INIZCTEOSA-N 282.497 4.504 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1csc(C2CC2)c1 2284092321 LUTRYQDKEWGDRS-MRXNPFEDSA-N 287.472 4.882 30 10 CJEE C#CCC1(Nc2nc(C)cc3sccc23)CCCCC1 2286129966 XNBMRGCOBHYUCR-UHFFFAOYSA-N 284.428 4.743 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)CCC[C@@H](C(C)(C)C)C1 2287369437 IHJLHUGNPUSEQO-QAPCUYQASA-N 280.452 4.659 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccccc1OC(F)F 2287400662 MPSHLWNDABOKBC-MRXNPFEDSA-N 283.362 4.598 30 10 CJEE CCCCCCCCCCCO[C@@H]1C[C@H](F)CC[C@H]1N 2287421576 QADZVDZKIGZIRF-BRWVUGGUSA-N 287.463 4.752 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCCc2ccccc21 2287467424 NOCXXRPMXKXZFM-RTBURBONSA-N 271.448 4.831 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)c1cc(C)oc1C 2289858802 FTPANJUHMGFPLA-SFHVURJKSA-N 273.420 4.521 30 10 CJEE CCCCCCC[C@@H](O)c1ccnc2ccc(F)cc12 2290172523 PZMXMMLQFAOWRY-QGZVFWFLSA-N 275.367 4.768 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)CCCCC1(C)C 2292769810 OAHQFZGUYCRCLR-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1ccc(C)cc1 2292803152 OMSPSLFXHZZVBJ-SFHVURJKSA-N 275.436 4.538 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCC[C@@H](CC)C1 2292807455 WYDOLMRBYMKIEU-QZTJIDSGSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCCC1(F)F 2294357231 RSRKZDMJVPYRDI-HNNXBMFYSA-N 291.426 4.660 30 10 CJEE CCCCCCCCC[C@H](C)N1CC[C@@H](C(C)(C)N)C1 2295520369 QBYUNVBRSBMWHF-DLBZAZTESA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1ccc(F)c(C)n1 2295596922 PCQFSNXHCWBBKL-QGZVFWFLSA-N 281.415 4.877 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H]1CC[C@H]2CC[C@H]1O2 2295681310 FZWMTHXARLQYCE-VSZNYVQBSA-N 281.484 4.815 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(NCCC)C1CC1 2295710670 IRYVJIFLNMFMPV-NVXWUHKLSA-N 296.524 4.608 30 10 CJEE N#CC[C@@H]1CCC[C@@](c2ccccc2)(C2CCCC2)O1 2295832497 FIILCMSNFIUISQ-ZWKOTPCHSA-N 269.388 4.555 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1[C@@H](C)C[C@H]1C 2301204360 KSOWFFHAMBTSRP-WDNDVIMCSA-N 258.471 4.564 30 10 CJEE C[C@H]1C[C@H](C)C1OCCCCCCCCCS 2301276874 FHTUCRCLZUHWOL-KBPBESRZSA-N 258.471 4.708 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)C2(C=O)CCC2)c1Cl 2307675079 UIJGOHKFIJTTGD-SNVBAGLBSA-N 271.187 4.775 30 10 CJEE CC[C@@H]1CCCC[C@H]1OC[C@@H](CS)CC(C)C 2308053505 LOJNOGUJTUJUHZ-RRFJBIMHSA-N 258.471 4.564 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@H]1C[C@@H](SC)C1 2314298761 SNTUOUWJIMAWBH-OWCLPIDISA-N 269.498 4.633 30 10 CJEE CC(C)CCC[C@](C)(C#N)Nc1ccccc1Cl 2315952296 PMNIYIWNSCNVSB-OAHLLOKOSA-N 264.800 4.860 30 10 CJEE C=CCC(CC=C)[C@@H](N)c1ccc2sccc2c1 2316745124 VBEDXRVSJNTLBD-MRXNPFEDSA-N 257.402 4.670 30 10 CJEE CCCC#CC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2317055101 WMFAXMQZQAQEGU-CQSZACIVSA-N 284.230 4.756 30 10 CJEE O=C(CCC1=CCCCC1)C1=CCC(F)(F)CC1 2317944082 ZYXDGEJNRHXNNZ-UHFFFAOYSA-N 254.320 4.582 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CCC(C)(C)C1)NC 2321133884 JSQZZFSFAFVHTG-INMHGKMJSA-N 251.458 4.783 30 10 CJEE CCCCCCC[C@@](C)(S[C@H](C)C(C)C)C(=O)O 2326832967 DUMRGKRDWNTELK-UKRRQHHQSA-N 274.470 4.968 30 10 CJEE C[C@H](CN(C)C[C@](C)(CS)C(C)(C)C)C(C)(C)C 2327282807 NJYLVIDVVFHMSC-CZUORRHYSA-N 273.530 4.583 30 10 CJEE C=CC[C@H](C)Sc1ccc([C@@H](C)N)c(C(F)(F)F)c1 2335237807 ISCMHAIBMDLUHB-VHSXEESVSA-N 289.366 4.782 30 10 CJEE CC(C)(C#N)CCCNc1cc(C2CC2)ccc1Cl 2338119757 MPWQHSKNILWOOG-UHFFFAOYSA-N 276.811 4.959 30 10 CJEE CCCCCC#CC[C@H](NC)[C@H]1CC[C@@H]1C(C)(C)C 2343211532 ZAOUZDPBGPTPQH-ULQDDVLXSA-N 263.469 4.621 30 10 CJEE CC(C)C[C@H](CS)CN(C)[C@H]1CCCC2(CCC2)C1 2353843083 NNCHKWXVTXYAIQ-HOTGVXAUSA-N 283.525 4.623 30 10 CJEE CC#CCCCC[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)NCCC 2357453693 MDUURVOLZNQTBA-AKHDSKFASA-N 275.480 4.765 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@H](O)[C@@H]1C[C@H]1CC 2357641295 CXINNSIROKBONO-BRSBDYLESA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1OC[C@@H]2CCC[C@H]12 2358461471 MDCUXCBZBCIUJY-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE N#C[C@@]1(C[C@@H]2C[C@@H]3CC[C@H]2C3)CCc2ccccc2C1 2359360522 GWPBHMIYUNPVQF-XIVBQZFQSA-N 265.400 4.512 30 10 CJEE C#Cc1cccc(N[C@@H](C)c2sc(C(C)(C)C)nc2C)c1 37185275 DWLKZSFJMILIEX-LBPRGKRZSA-N 298.455 4.903 30 10 CJEE Cc1cc([C@H](C)Nc2ccc(C#N)cc2C)c(C)s1 49509485 JHCPRUZTIWNDCW-LBPRGKRZSA-N 270.401 4.718 30 10 CJEE CCCCc1ccc(N[C@H]2CCCC[C@@H]2C#N)cc1 54824978 ROFIFYCRSNGTMB-WBVHZDCISA-N 256.393 4.523 30 10 CJEE C[C@](C#N)(CCCCOc1ccccc1)c1ccccc1 57687464 MVGVRZGROGJZEN-LJQANCHMSA-N 279.383 4.717 30 10 CJEE CCCCCCCCNc1cccc(C(=O)NC(C)C)c1 59434626 ATLZXWSSAZQNHX-UHFFFAOYSA-N 290.451 4.597 30 10 CJEE CCCCCCC[C@@H](C)N[C@H]1CCOc2ccccc21 59460254 XAXBIUNJKBZMFC-WBVHZDCISA-N 275.436 4.849 30 10 CJEE CCC[C@H](CS)CSc1ccc(C)c(C)c1 87096145 ALHUHRBLRCBCLF-CYBMUJFWSA-N 254.464 4.742 30 10 CJEE Cc1cc(CNc2cc(Cl)ccc2C#N)sc1C 87580520 YAGMZODGGBOUIJ-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE N#C[C@]1(Cc2ccc(F)cc2Cl)CCCc2ccccc21 87930076 XHBNYHNJKSKXHF-GOSISDBHSA-N 299.776 4.819 30 10 CJEE CC(C)(C)CC(C)(C)c1ccc(OC[C@]2(C)CO2)cc1 90824715 GSAWHRAXXDUQOI-GOSISDBHSA-N 276.420 4.568 30 10 CJEE CCC[C@H](C)[C@H](O)C1(C#N)CCC(C(C)(C)C)CC1 91884875 HZIGZRGZTLVGGT-BOLLXYOYSA-N 265.441 4.530 30 10 CJEE CCC[C@@H]1CCC[C@@](O)(C2(C#N)CCC(C)CC2)CC1 91903420 OUJPCXQLNFNCPY-FPQWYMTMSA-N 277.452 4.818 30 10 CJEE N#Cc1c(F)cccc1Nc1c(Cl)cccc1Cl 93406652 JAMQBQVWUCIPTG-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccc(CC(C)C)cc1 94896919 VFZMFKAUUDAXEC-IBGZPJMESA-N 278.399 4.870 30 10 CJEE CC(C)CC1(C(=O)[C@H](C#N)c2ccc(F)cc2)CCCC1 94902671 DSXLJMXJBUTWMM-MRXNPFEDSA-N 287.378 4.608 30 10 CJEE CCC#CC[C@@H](C)c1ccc(C)cc1Br 107497872 NROHJHUJQYBIJJ-GFCCVEGCSA-N 265.194 4.665 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cccc(Br)c1C 107511201 WNGBAXSVACMJJM-RYUDHWBXSA-N 279.221 4.911 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1ccc(OCCC)c(C)c1C 107643801 UNAUGPOUSCFMIX-UONOGXRCSA-N 258.405 4.855 30 10 CJEE CCCCc1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1 110163067 MHLWKROZRWSFEZ-FUHWJXTLSA-N 270.420 4.914 30 10 CJEE C#CCC[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 110923511 RJACZCRVBNURLV-SFHVURJKSA-N 285.475 4.535 30 10 CJEE C/C(=N/O)c1ccccc1OCc1csc2ccccc12 111311961 JGJONAAAYIGOQH-PDGQHHTCSA-N 297.379 4.679 30 10 CJEE CCCCCCC[C@H](O)Cc1cccc(Br)c1 111817388 UCJGDHAPXPNAQD-HNNXBMFYSA-N 299.252 4.713 30 10 CJEE CCCCCCCCCCN1C[C@H](C(C)C)NCC1(C)C 114060160 GFWGQMNTTQGONX-GOSISDBHSA-N 296.543 4.836 30 10 CJEE CCCCCCCCC[C@@]1(O)CCO[C@](C)(CC)C1 115653974 WRPSHZOMLNLFRO-IAGOWNOFSA-N 270.457 4.837 30 10 CJEE CCCCCCCCC[C@@H](O)[C@](C)(CC)N(CC)CC 118155522 LZQIAFQDYAMNJO-MSOLQXFVSA-N 285.516 4.999 30 10 CJEE CCCCCCC[C@H](C(=O)O)c1cccc(Cl)c1 118853287 JWZQCLGEAZPGQR-AWEZNQCLSA-N 268.784 4.869 30 10 CJEE CCCCCCC[C@H](O)c1c(F)ccc(C)c1F 122630397 JYGAXJNLHRKYAZ-ZDUSSCGKSA-N 256.336 4.667 30 10 CJEE N#Cc1ccc(Nc2c(F)cc(F)cc2Cl)c(Cl)c1 124306629 ZNNNKMQTAIHHDQ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(OC(C)C)c1 125811427 CKUSMASXHVVZKV-SFHVURJKSA-N 275.436 4.871 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](CCC)OC 126987934 SXMVSSYZAIKYCZ-SJORKVTESA-N 271.489 4.920 30 10 CJEE N#Cc1cccc(N[C@@H]2CCCc3sc(Cl)cc32)c1 127282114 AQLDKVJLHVHZDG-CYBMUJFWSA-N 288.803 4.763 30 10 CJEE C[C@@H](Nc1cccc(C#N)c1)c1cc2c(s1)CCCC2 129314427 NZQZVPFDRFFYKE-GFCCVEGCSA-N 282.412 4.672 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccc(Cl)cn1 129522305 LKSDUFQASIVAMJ-INIZCTEOSA-N 297.874 4.770 30 10 CJEE CCCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 130045758 NUMZQKIIYSIORD-AWEZNQCLSA-N 289.250 4.858 30 10 CJEE CCCCCCCCn1nc(CC)c([C@H](C)NC)c1CC 131019782 WVNUCCKTUOPZNZ-HNNXBMFYSA-N 293.499 4.649 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OC2CC2)c1 132404122 BDQYMYMQSNYVGS-SFHVURJKSA-N 275.436 4.849 30 10 CJEE CCN(c1ccc(F)cc1)c1cccc(SC)c1C#N 136655783 OPOMXLLCYCWWCI-UHFFFAOYSA-N 286.375 4.577 30 10 CJEE CCC1CCC(C#N)([C@@H](O)c2cc(F)cc(Cl)c2)CC1 161409878 FZGMRTSARNNKRB-AJQRCPHMSA-N 295.785 4.623 30 10 CJEE N#Cc1cc(Nc2ccc(F)cc2F)ccc1C(F)(F)F 164395388 JBOXPGBBJXNIPE-UHFFFAOYSA-N 298.214 4.599 30 10 CJEE C=C(C)CC[C@H](NCCC)C1(OCC)CCC(C)CC1 164769265 NYWIEIFKRWBHNE-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CO[C@H](C)C1 165078891 MILOYAXLRINSCX-HUUCEWRRSA-N 254.414 4.511 30 10 CJEE C=CCC[C@H](NCCC)c1cc2c(s1)CCSC2 167798382 HPAOSPYLALLTCK-ZDUSSCGKSA-N 281.490 4.544 30 10 CJEE C=CCCC[C@H](NCCC)[C@H]1CCCCC1(C)C 226842524 JMGCKCIEMNBVMJ-CVEARBPZSA-N 251.458 4.927 30 10 CJEE N#C[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1Sc1ccncc1 227365326 IFTPHLOOJBWUMA-BQFCYCMXSA-N 294.423 4.650 30 10 CJEE CCCCCCCCCCCCNCCNCC(C)C 228732453 ZOMPYRQHSRARPA-UHFFFAOYSA-N 284.532 4.743 30 10 CJEE C=C[C@](C)(CNCCC)Cc1cccc(Cl)c1Cl 228914583 IDJIKAKAXFMQIF-HNNXBMFYSA-N 286.246 4.728 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@@]1(C)CCCS1 233163910 ZKSZPNBJUGJUHC-HZPDHXFCSA-N 269.498 4.777 30 10 CJEE C=CCCCCC[C@H](COc1cccc(Cl)c1)NCC 233602088 FONXUVGSNWBRGR-MRXNPFEDSA-N 295.854 4.833 30 10 CJEE CC[C@@H](Nc1cccc(C)c1C#N)c1ccccc1F 233894554 QGXGYUYOCVIWAU-MRXNPFEDSA-N 268.335 4.569 30 10 CJEE N#Cc1ccc(Nc2cccc(F)c2)c2ccccc12 236200458 PPCYINAXFIIIPD-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE C=CCCCCC[C@@H](NN)c1csc2ccccc12 236223178 GUUDYGJVWKUFMA-OAHLLOKOSA-N 274.433 4.542 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H]([C@H](C)N)C1 252781787 NBFXNNJDUYUQFJ-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE CCSc1cccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1C#N 252817862 LMGQCEPZRJUCHR-GZBFAFLISA-N 288.460 4.907 30 10 CJEE Cc1ccc(N=Cc2ccc(Br)s2)c(C)c1 254505383 AHVPFKCQHZYLOX-UHFFFAOYSA-N 294.217 4.878 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)c1cccc(F)c1Cl 311351510 WBYQLLNRNNNNOO-AWEZNQCLSA-N 281.802 4.569 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 311869569 LLNKUUFJIMSNJV-ZDUSSCGKSA-N 277.795 4.589 30 10 CJEE CCCCCCC[C@H](NCC)c1cnc(C)c(C)c1 311937012 HHYIDUIOAQETQU-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE CCCCCCCCCCCCN[C@H](CN)CCC 312101601 HVZFSMLMQIRCNE-KRWDZBQOSA-N 270.505 4.624 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2cc(C)c3ccccc3n2)C1 312661548 MIEHFOLXVLJZCC-RDTXWAMCSA-N 264.372 4.515 30 10 CJEE C=CCC(C)(C)CNCc1ccc(OC)c2ccccc12 314692148 GACLGDJNCYCHQW-UHFFFAOYSA-N 283.415 4.540 30 10 CJEE O=C[C@]1([C@H]2C=CCCCCC2)CCCc2ccccc21 316401169 AGAOYZVURILXKU-HKUYNNGSSA-N 268.400 4.596 30 10 CJEE CCCCCCC[C@@]1(CNC2CC2)CCC[C@H]1C 317969130 OLTWIHPNWDUIIQ-WBVHZDCISA-N 251.458 4.905 30 10 CJEE CCCCCCCCC[C@@]1(CNCC)C[C@H]2CC[C@H]1O2 318117567 QJHMGFJKTZQRSR-KURKYZTESA-N 281.484 4.674 30 10 CJEE CC[C@H](C)[C@H](C)[C@@H](C#N)c1ccc(F)cc1Cl 320226148 UKJMCOXNAOFVDL-OUJBWJOFSA-N 253.748 4.768 30 10 CJEE CCCCCCCCCCC[C@H](NN)c1cscn1 381016395 AWWLHPIGXPAUQH-AWEZNQCLSA-N 283.485 4.568 30 10 CJEE Cc1ccc(N[C@](C)(C#N)[C@H]2CC3CCC2CC3)cc1 381564326 WZAFEXVZIANWHG-MUDYYLEHSA-N 268.404 4.516 30 10 CJEE N#CC[C@H]1CCC[C@@H](c2ccc(Cl)cc2Cl)O1 384071636 ZYDPUHYZEUNPNJ-MFKMUULPSA-N 270.159 4.517 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@H](C)c1ccc(Br)cc1 385003565 MHXGXRYXIKHAAJ-JMSVASOKSA-N 292.220 4.883 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1cccc(Cl)c1F 395302529 KYMFZTJJVXJILS-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1c(CC)cc(C)cc1CC 484860516 RAWFXOALRVILPB-CQSZACIVSA-N 273.420 4.661 30 10 CJEE CC(C)(C)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 575357745 NWCKZDPTORNRKE-ZROIWOOFSA-N 280.367 4.760 30 10 CJEE CCCCCCCCC(=O)C1CCC(OC)CC1 686365296 YLJZLSMSVPEJJS-UHFFFAOYSA-N 254.414 4.511 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H]1C[C@H]1OCC 689893347 KDGFWVWVYUOKOT-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@@H](NCC)c1cc(COC)cs1 690060322 FPZTZYRRTSDFFV-OAHLLOKOSA-N 281.465 4.682 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(F)c1 692272170 KYVBLIJAOURQJE-VBQJREDUSA-N 261.384 4.611 30 10 CJEE Cc1nc(N[C@@H](C)CC2CCCCC2)c(Cl)cc1C#N 694710362 CVOBTPZKTZPEMG-NSHDSACASA-N 291.826 4.686 30 10 CJEE CCCCCCCCC[C@@H](NN)c1csc(COC)c1 699854494 NMEJXSXJEDPMPE-MRXNPFEDSA-N 298.496 4.540 30 10 CJEE N#CC1(c2ccc(Cl)c(Cl)c2)CC(C2CC2)C1 701861995 GEYKTJBODILADI-UHFFFAOYSA-N 266.171 4.575 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CCCC12CC2 707135047 NQYASRGDBOPIFV-HZPDHXFCSA-N 251.458 4.905 30 10 CJEE C[C@H]1C[C@H](N(C)CCCCC(C)(C)C#N)CC(C)(C)C1 708766914 ZYWRVJVCMLRQSW-HOTGVXAUSA-N 278.484 4.853 30 10 CJEE C=CC[C@H](C)Nc1ccc(OCc2ccccc2)cc1C 715003992 FODZROIZVYWUSV-INIZCTEOSA-N 281.399 4.951 30 10 CJEE N#Cc1ccc(NCCCCC2CC2)c(C(F)(F)F)c1 720107197 OEKMPWNXVPRYQK-UHFFFAOYSA-N 282.309 4.569 30 10 CJEE C=CCN(CCC)c1cc(Cl)ccc1CNC(C)(C)C 723180907 UTOYJNWZKVNUBB-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE C=C1CCC(C[C@@H](N)c2ccc(F)c(Cl)c2)CC1 724549891 RFHUFLIAIREYET-OAHLLOKOSA-N 267.775 4.615 30 10 CJEE C=C1CCC(C[C@H](O)Cc2c(F)cccc2Cl)CC1 724556184 KYTQFPHTILUWCC-ZDUSSCGKSA-N 282.786 4.519 30 10 CJEE C=C1CCC(C[C@@H](NC)c2c(F)cccc2Cl)CC1 724597262 VXALVPHEQYNKAG-OAHLLOKOSA-N 281.802 4.876 30 10 CJEE C=C1CCC(C[C@]2(CNC(C)(C)C)CCCS2)CC1 724611146 RNRIUBLZCOZEMJ-KRWDZBQOSA-N 281.509 4.777 30 10 CJEE C1CCC([C@H]2CCS/C(=N/CCCCC3CC3)N2)CC1 725089316 KTQFAOQORLRFEE-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(CSC)cc1 725125151 ZGIZAWPWHDQSSX-UHFFFAOYSA-N 277.477 4.632 30 10 CJEE N#CCc1cc2c(Cl)cc(C(F)(F)F)cc2s1 725286992 WMOFLRBWYFYRPD-UHFFFAOYSA-N 275.682 4.640 30 10 CJEE C=CCOc1ccc(/C=C2/CCc3sccc3C2=O)cc1 726889392 CBYYULAYCDQKEI-OWBHPGMISA-N 296.391 4.525 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)C(CCC)CCC 1128703790 WZGXKVHNKGGIKW-UHFFFAOYSA-N 287.447 4.808 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)C1 1178831365 QRWQMRNGOFYPCP-VDZJLULYSA-N 269.432 4.707 30 10 CJEE C=CCCCCC[C@H](C)NCc1cccc2cc[nH]c12 1180905635 HPQSUPQQBWVBAK-HNNXBMFYSA-N 270.420 4.783 30 10 CJEE C=C(C)[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 1180953650 RKTUGVBXTBEAJQ-HEWDHTHVSA-N 291.385 4.606 30 10 CJEE C#Cc1ccc(N[C@@H]2CCC[C@H]2CCC(C)C)cc1 1184227784 FGMKPLCFSYWVQC-FUHWJXTLSA-N 255.405 4.685 30 10 CJEE C=CCOc1ccc(CNCC2(C)CCCC2)cc1Cl 1200346290 NONXGAXMAGNVKK-UHFFFAOYSA-N 293.838 4.575 30 10 CJEE C=C(C)c1cccc(NC2CCN(CCC(C)C)CC2)c1 1207741075 BXLANKYGANHFET-UHFFFAOYSA-N 286.463 4.642 30 10 CJEE C=CCC1(NC(=O)OCC2CCCCC2)CCCCC1 1211861265 DNUDJCTYLKJGCU-UHFFFAOYSA-N 279.424 4.572 30 10 CJEE C=CCCc1ccccc1NC(=O)NCCC(C)(C)CC 1216891714 PVROVMXUJHBDTA-UHFFFAOYSA-N 288.435 4.753 30 10 CJEE C#CC1CCN(C(=O)/C=C/CCCCCCCCC)CC1 1299849260 PODFJBOUCFQZIJ-OUKQBFOZSA-N 289.463 4.555 30 10 CJEE C=CCC1(C(=O)NC[C@H](CC)CCCC)CCCCC1 1351567116 OAIWDKLZWHOQNO-MRXNPFEDSA-N 279.468 4.846 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)c1ccc(C)cc1C 1353386367 DULIQPVCCWHYKH-UHFFFAOYSA-N 285.431 4.512 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](CC)C1CCCCC1)c1ccccc1 1434969526 UQSPGYJUIPQAFH-LPHOPBHVSA-N 299.458 4.821 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 1435157837 XPUNCQVZFGXIFP-SRCQZFHVSA-N 291.822 4.510 30 10 CJEE C=CCCC1(CNC(=O)CC2(C)CCCCC2)CCCC1 1461533951 WRICDAPMMOBBGQ-UHFFFAOYSA-N 291.479 4.990 30 10 CJEE C#Cc1ccc(NC2CC(c3ccccc3)C2)c(Cl)c1 1462625188 DNKFKKRTHZSSTH-UHFFFAOYSA-N 281.786 4.679 30 10 CJEE C#CCCCCCC(=O)N(CCCC)[C@H]1CCC[C@H](C)C1 1523760165 IWRXAJVKGUPKGL-ROUUACIJSA-N 291.479 4.778 30 10 CJEE C=C[C@@H](CC)CC(=O)N1CCCc2cc(C(C)(C)C)ccc21 1525992887 NYEWUZXLAIFAHO-HNNXBMFYSA-N 299.458 4.866 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 1529695986 HGODAJUTYPEPFO-NVXWUHKLSA-N 285.431 4.589 30 10 CJEE C#Cc1cccc(NC(=O)[C@@H](CCC)CC2CCCC2)c1 1532232639 NMZKTBCBNWVZJU-KRWDZBQOSA-N 283.415 4.603 30 10 CJEE C=CC[C@H]1N(C(=O)[C@H](C)C(CC)CC)CCCC1(C)C 1542579854 SFRZBGGPEWWWTJ-GDBMZVCRSA-N 279.468 4.652 30 10 CJEE C=CCC1(CNC(=O)C(C)(C)CC(C)(C)C)CCCC1 1544642717 NRDJZHDCUUVNPQ-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C#C[C@H](N[C@H]1CCC[C@@H](C(C)C)C1)c1ccc(Cl)cc1 1560865364 XUJRRLMTIOGSTB-NJAFHUGGSA-N 289.850 4.819 30 10 CJEE C=CC(C)(C)CCN[C@@H]1CC[C@H](Cc2ccccc2)C1 1560944820 KFGZMZWWXXHVRU-QZTJIDSGSA-N 271.448 4.590 30 10 CJEE C=CCCCCC[C@@H](C)N[C@@H](c1ccccn1)C1CC1 1561018400 XCZYVQDFFMRAAT-CRAIPNDOSA-N 272.436 4.647 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccsc1C(F)F 1586146047 SMJYMGLXDZRAEC-PWSUYJOCSA-N 299.386 4.550 30 10 CJEE C=C[C@@](C)(CC)C(=O)OCc1ccccc1CC(C)C 1617689136 RXMAHBHQCYHXPJ-SFHVURJKSA-N 274.404 4.531 30 10 CJEE C#CCCCCCCN1C[C@H](C)C[C@H]1c1ccccc1 1617783939 QFJCFDNRRHYSEN-MJGOQNOKSA-N 269.432 4.653 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccsc2C(F)(F)F)C1 1621026267 CDNFILNBLINWBL-PWSUYJOCSA-N 289.366 4.601 30 10 CJEE C=CCCN(C[C@H]1CCCC[C@@H]1C)OCc1ccccc1 1642775057 YIWWFMIOVJPMMY-PKOBYXMFSA-N 287.447 4.823 30 10 CJEE C=CCCc1ccccc1N[C@@H]1CC[C@H]1C1CCC1 1652282606 OISMGBDDGGUHQP-FUHWJXTLSA-N 255.405 4.796 30 10 CJEE C=C(C)[C@@H](NCCC(C)(C)CC)c1ccc(F)c(F)c1 1653342922 HYHSNJIKZLOWON-MRXNPFEDSA-N 281.390 4.998 30 10 CJEE C#CCCCCCCN(CC)c1cccc(C)c1F 1655392908 IFUSFOVDAGDOLA-UHFFFAOYSA-N 261.384 4.544 30 10 CJEE C=C(C)c1cccc(NCc2cnc(C(C)C)s2)c1 1663413039 AMRKMSKGTZLALG-UHFFFAOYSA-N 272.417 4.912 30 10 CJEE C=CC(C)(C)NCCCCc1ccc(Cl)c(Cl)c1 1665868170 MKMCGYBLOPFUQM-UHFFFAOYSA-N 286.246 4.870 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C(=C)C)c1 1674980679 ZTRBFRKOEQCEHG-QGZVFWFLSA-N 284.403 4.682 30 10 CJEE Cc1ccc(C)c(-c2csc(SCCCC#N)n2)c1 1860818221 JHSBWWKDEXIQEK-UHFFFAOYSA-N 288.441 4.823 30 10 CJEE CCCOc1ccccc1/C=C/C(=O)c1ccc(CC)cc1 1874573028 RDDGHXBRQDWMOU-BUHFOSPRSA-N 294.394 4.934 30 10 CJEE CC1(C)CCC[C@@](C#N)(CC23CCC(CC2)O3)CC1 1876582880 RUSYVXLOPQIDHC-WIHSUSGWSA-N 261.409 4.588 30 10 CJEE CC#CCCC[C@@H](NCCC)[C@H]1CCCCC1(C)C 1879649826 FPYVUOXOUOBOMI-IAGOWNOFSA-N 263.469 4.765 30 10 CJEE CCCCCCCCCC(=O)C[C@@]12CCOC[C@H]1C2 1880535357 CBDZYKRHGOGHMZ-WBVHZDCISA-N 266.425 4.513 30 10 CJEE CC#CCCCC[C@H](NCCC)C1(C(C)C)CCC1 1885237499 PUPSLEXXJFDPSW-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C#CC[C@@H](C[C@@](N)(CC)CC1CCCCC1)C1CC1 1887398649 VQQVMPPZSAOOJA-ZWKOTPCHSA-N 261.453 4.504 30 10 CJEE C=CCNC(=O)c1cc2c(C)cccc2c2cc(C)ccc12 1890863336 VJQKMIBDIMPVLN-UHFFFAOYSA-N 289.378 4.526 30 10 CJEE C=C[C@@H](N[C@@H]1CCCCCCCC1(F)F)C1CCC1 1892958081 TVSIMDIELGRTAP-HUUCEWRRSA-N 271.395 4.679 30 10 CJEE CC[C@@H](C)N(Cc1ccccc1)C[C@@H](CS)CC(C)C 1893838706 BGPHZGFRPHTLOT-AEFFLSMTSA-N 293.520 4.879 30 10 CJEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@@H](N)CC 1914952933 SMEOHSUFOVCIFR-IBGZPJMESA-N 294.442 4.679 30 10 CJEE CC(C)(C)C[C@@H](NCC#C[Si](C)(C)C)c1ccccc1 1916260717 XLMIVLOFBFIGFB-QGZVFWFLSA-N 287.523 4.634 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)c1sccc1C1CC1 1919420957 AYTWFROOVFUVEC-KRWDZBQOSA-N 294.460 4.920 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC(C)(C)OC 1920189891 ZBNZQSUQPXYXPS-MRXNPFEDSA-N 257.462 4.660 30 10 CJEE COc1ccc(Cl)cc1C[C@]1(C#N)CCCC12CCC2 1921635281 FHELPTKTIWMKIO-KRWDZBQOSA-N 289.806 4.755 30 10 CJEE CCC[C@@](C)(C=O)CN(Cc1ccccc1)CC(C)(C)C 1932034123 OXGPDCNJCHYDRP-LJQANCHMSA-N 289.463 4.540 30 10 CJEE C=CCC(C)(C)COCc1cccc(C)c1Br 1940679722 JAZBPQUFCWCYCR-UHFFFAOYSA-N 297.236 4.876 30 10 CJEE CCCCCCCC[C@@](C)(O)CCC(F)(F)F 1940762471 NVDMNXTVCXGZCB-GFCCVEGCSA-N 254.336 4.831 30 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CJEE CC[C@@H]1CCC[C@@](C#N)([C@]2(O)CCCCCC23CC3)C1 2182364567 MHCOBKZFZYIAKF-NXHRZFHOSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@H](CC[C@@H]1CC[C@@H]1OC)NCC 2186890122 OHPZMTZEXOAQDB-KURKYZTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CCOCC12CCC2 2189775612 BQXSXADYZDIRTI-IRXDYDNUSA-N 281.484 4.661 30 10 CJEE CC1(C)CCC[C@](C=O)(CCCCCCCCCO)C1 2190721561 JOTGIAHGAKEGFM-GOSISDBHSA-N 282.468 4.885 30 10 CJEE CC[C@H]1CC[C@H](CN=C2N[C@@H](CC(C)(C)C)CS2)CC1 2192869923 SOFMUSSUCIQWFR-KKUMJFAQSA-N 296.524 4.700 30 10 CJEE C#C[C@@H](NC[C@H]1CC[C@H](CCC)CC1)c1ccccc1 2192873484 RSEGEMPQXKQHIA-ZHALLVOQSA-N 269.432 4.557 30 10 CJEE CCCC1CCC(CN=C2N[C@@H](C(C)(C)C)CS2)CC1 2192877240 POUUVEZIRSXJBC-YMAMQOFZSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CCC(C)(C)NC1 2193402918 GBCYTQOTPLRUNY-INIZCTEOSA-N 281.484 4.865 30 10 CJEE CC(C)C1CCC(C#N)(CC23CC(C)(CCO2)C3)CC1 2193687004 NUNQZDISMKSEJX-UHFFFAOYSA-N 275.436 4.692 30 10 CJEE CCCCCCCCN(C)[C@H](C)CNc1ccccc1 2196713603 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C=CCCCCCCCCC(=O)[C@H]1C[C@]12CCCOC2 2207381428 IPUDZWWEQJMIOZ-AEFFLSMTSA-N 278.436 4.679 30 10 CJEE C=CCCCCCCCCC(=O)[C@H]1C[C@H](CC)CCN1 2207402835 FIMJKMLPJVZULI-IAGOWNOFSA-N 279.468 4.641 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H](N)CCC(C)C 2207405403 RWIOMCBXYHKNPS-MSOLQXFVSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@@H](NC)[C@H](OC)C1CCC1 2207428825 CGSLDFYSUINJIN-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]12CCOC[C@H]1C2 2207434264 FHKNNGDXJUAIMH-SJLPKXTDSA-N 278.436 4.679 30 10 CJEE C=CCCCCCCCCCC(=O)[C@]1(C)CCC[C@H]1N 2207434448 CSMPTAZFWGSKPB-SJLPKXTDSA-N 279.468 4.770 30 10 CJEE Clc1cc(CCCC[C@@H]2CO2)cc(Cl)c1Cl 2210144669 PMDZOBRTXDTAPM-SECBINFHSA-N 279.594 4.758 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1cc(C)sc1C 2215422333 VOSNSKDDDTVFSF-ABAIWWIYSA-N 251.439 4.618 30 10 CJEE C#C[C@H](CC(C)C)N[C@H](C)c1cccc(Cl)c1Cl 2219201563 BEUDTZIYWDAUGC-VXGBXAGGSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCCNC1(C(F)(F)F)CCC1 2220088476 VSSKGPDXSAQDMC-UHFFFAOYSA-N 263.347 4.588 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](C)C1CCC1 2220094562 WGGASAHFISQDAL-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)[C@@H]1CC[C@H]2C[C@H]2C1 2220098551 WWBSKWMABKSDRZ-YVSFHVDLSA-N 250.426 4.700 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1cc(C)cc(Cl)c1 2222149640 RPMQUMPQVBMCTN-ZDUSSCGKSA-N 265.828 4.901 30 10 CJEE CCCCCCCCc1cc([C@@H](N)CC(C)C)on1 2226322374 OEZFHKMLCWBTBR-HNNXBMFYSA-N 266.429 4.624 30 10 CJEE C=CCCCCCCCCC(=O)[C@@H]1CCC[C@H](C)O1 2226880150 NSPNZAGFDKKYPJ-RDJZCZTQSA-N 266.425 4.820 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 2227273965 TULAXCKIGIOTPS-AJNGGQMLSA-N 271.395 4.522 30 10 CJEE C=CCCCCCCCC(=O)[C@@H](OCC)C(C)(C)C 2227282118 VBLFSWGIWMDPRR-MRXNPFEDSA-N 268.441 4.923 30 10 CJEE C=CCCCCCCC[C@@H](NN)C1CCC(C)CC1 2227282230 AKHTUOOJIPCGLD-OFLPRAFFSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCC[C@H](NC)C1C[C@@H]2CC[C@H]2C1 2227284435 RFWBZZKECZRXQS-BQFCYCMXSA-N 263.469 4.927 30 10 CJEE C#CCCCC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2228040488 VAVRPUPBHMNBMT-CYBMUJFWSA-N 290.712 4.586 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(Cl)cc1CO 2230984771 FPBDLLOLFKPUCO-CYBMUJFWSA-N 283.843 4.993 30 10 CJEE CC1(C(=O)C#Cc2ccc(Cl)cc2)CCCCCC1 2231008549 JWHZKYIUCRLKKO-UHFFFAOYSA-N 274.791 4.621 30 10 CJEE CCCCCCCCCCO[C@H](C)CNC1CCC1 2231021230 YWFFEEIPJGAXBK-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cccc(Cl)c1C 2231520985 MEWUZIUISRIQRC-DZGCQCFKSA-N 279.855 4.771 30 10 CJEE CC=CCCC[C@@H](N)[C@](C)(O)CCCCCCCC 2231930151 UFSXHCPMPVHGGZ-IAGOWNOFSA-N 269.473 4.562 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccc2occc2c1 2232381671 MERQAZRVTMKRNL-GUYCJALGSA-N 257.377 4.686 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1C[C@H]2CCC[C@H](C2)C1 2233529792 HIQLFTMSQLXCLD-MHORFTMASA-N 280.500 4.785 30 10 CJEE C#C[C@H](CC(C)C)N[C@H]1c2cc(Cl)ccc2CC1(C)C 2234695352 UOEDSMGETSWSMJ-WBVHZDCISA-N 289.850 4.601 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](CCCCC1CC1)NC 2235474290 KZKXJAOLLXTAIG-ROUUACIJSA-N 283.500 4.656 30 10 CJEE C=CCCCCCCC[C@H](O)c1coc(C(F)(F)F)n1 2235519738 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PHXVVYAHIDNYMH-UHFFFAOYSA-N 277.252 4.710 30 10 CJEE FC1(F)CCCC[C@@H]1CSCCCCCS 2243510990 QCFHYSWRWZMAEG-LLVKDONJSA-N 268.438 4.645 30 10 CJEE C#C[C@H](c1cc(Cl)c(Cl)s1)N1CCCCCC1 2249394544 ARHGAEHYUFBCAD-LLVKDONJSA-N 288.243 4.605 30 10 CJEE C=CCCSc1cc(C)c(CNC(C)(C)C)s1 2250020486 ZLUMDQUZRJCWLD-UHFFFAOYSA-N 269.479 4.613 30 10 CJEE C=C(C)CCCC[C@@H](O)c1csc(C2CC2)c1 2250156094 XHBOUWZOPLDUHN-CQSZACIVSA-N 250.407 4.795 30 10 CJEE C=C(C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1)C(C)(C)C 2253831256 IXSDKJDDASHXHT-XYPYZODXSA-N 262.315 4.527 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)c1ccc(Cl)s1 2254549427 DMPQNYPGGXVCOP-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE C[C@@H]1C[C@](C#N)(CC[C@@H]2CCCC23CC3)CCS1 2255231568 DTKUUGICIKXMHI-ILXRZTDVSA-N 263.450 4.772 30 10 CJEE C=CCCCCCCNCCCCC[C@@H]1C[C@@H]1C 2257322124 LMHGEYIRGYVXPP-DLBZAZTESA-N 251.458 4.929 30 10 CJEE CCCC#CC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2258566309 PXNKKFCATHWPKZ-HNNXBMFYSA-N 284.230 4.756 30 10 CJEE C=CCCCSc1c(Cl)cccc1CNC(C)C 2259056048 APVDOZJGKOFFRO-UHFFFAOYSA-N 283.868 4.896 30 10 CJEE C=C(C)CCCCNC[C@]1(C)CCCC(F)(F)C1 2259212378 PCRYZLNGANLIAU-CQSZACIVSA-N 259.384 4.538 30 10 CJEE CC(C)(C#N)CCCSCC1(C(F)(F)F)CCC1 2261450335 KBGOAEJVZHSAGP-UHFFFAOYSA-N 279.371 4.782 30 10 CJEE CCCCCCCCC[C@@](C)(O)C[C@@H](C)COC 2263666155 PLPLPUYSUUWPEC-HZPDHXFCSA-N 258.446 4.551 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CC1(C)CC(C(F)(F)F)C1 2264645341 ABPRUIPSPUWDRQ-GFJIZPEISA-N 276.342 4.751 30 10 CJEE CCNC[C@@](CC)(CC=CC#CC(C)(C)C)C(C)C 2268730760 JZPNZTSCSXHEMI-GOSISDBHSA-N 263.469 4.644 30 10 CJEE CCN[C@@H](CCCC=CC#CC(C)(C)C)C(C)(C)C 2268733427 CNGLUCZYSDXOSR-INIZCTEOSA-N 263.469 4.787 30 10 CJEE CO[C@@H](CSc1cc(Cl)ccc1C#N)CC(C)(C)C 2271712610 QPTXYFZGEDLAOV-CYBMUJFWSA-N 297.851 4.755 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1cccc(Cl)c1 2273987950 DPQIKDZRPOQGGJ-QGZVFWFLSA-N 275.823 4.574 30 10 CJEE CN[C@@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2274127391 CIOAYOGBYZLHQG-INIZCTEOSA-N 296.241 4.838 30 10 CJEE C=CC1(NCc2cccc(C(C)(C)C)c2)CCCC1 2274500532 AOQPFZVJTQAPRY-UHFFFAOYSA-N 257.421 4.573 30 10 CJEE CCCCCCCC[C@@H](C)NCC1(OC)CC(C)C1 2274596691 JAKZUUDIHQSBOJ-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE C=C([C@H](OCCN)c1cc2sccc2s1)C(C)(C)C 2276571606 DWXZMHKXKVOPCA-AWEZNQCLSA-N 295.473 4.582 30 10 CJEE C=CCC[C@H](C)[C@](CCC)(OCCCN)C(C)(C)C 2276912852 JOVMRZFPXPMPAL-RDJZCZTQSA-N 269.473 4.539 30 10 CJEE C=CCC[C@H](C)[C@@H](OCCN)c1cc2cscc2s1 2277124085 DKFTXNFSQKFHQF-XHDPSFHLSA-N 295.473 4.582 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](OC)C1CC1 2278248289 RVQCQCLDDSIGEE-NVXWUHKLSA-N 269.473 4.530 30 10 CJEE CCCC[C@@H](CC)CSc1ccc(C#N)c(OC)c1 2278260410 ZWCLFZHLABUXLB-CYBMUJFWSA-N 277.433 4.875 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)c1csc(C)c1C 2279157794 KNIFVKUMFAUULD-IAGOWNOFSA-N 297.508 4.866 30 10 CJEE N#Cc1cccc(F)c1NC1CC2(CCCCCC2)C1 2280475426 AKEWYZZWQZFRJC-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 2284110626 FKIABMQPHRCBQO-QWHCGFSZSA-N 286.337 4.530 30 10 CJEE CC1(OC[C@H](CS)C(C)(C)C)C2CC3CC(C2)CC1C3 2287239231 MXZSVJVWNGUYHN-PKSOCPPESA-N 296.520 4.810 30 10 CJEE CCC[C@](C=O)(CC)CN1CCC[C@@H](C(C)(C)C)CC1 2287679150 CEGJHBOCSWRQGT-SJLPKXTDSA-N 281.484 4.530 30 10 CJEE CCN[C@@H](C#CC1CCCC1)C1(CC(C)C)CCCC1 2289671511 HEUQWYPFIRXURS-SFHVURJKSA-N 275.480 4.765 30 10 CJEE CN[C@H](CC#CC1CCCC1)[C@]1(C)CC[C@@H](C)C1(C)C 2289854451 JXOBWNDBWIAQTE-SUMDDJOVSA-N 275.480 4.621 30 10 CJEE CCCNC[C@@H]1CCCCC[C@H]1CC#CC1CCCC1 2289873557 FCGHUIWWWCBJNC-OALUTQOASA-N 275.480 4.766 30 10 CJEE CCCC[C@](CC)(CC#CC1CCCC1)CNC1CC1 2289900237 ZZJPJSHTVXRHNX-LJQANCHMSA-N 275.480 4.909 30 10 CJEE CN(c1ccc(C#N)cc1)[C@@H]1CC(C)(C)CCC1(C)C 2290321095 YLWOUJIZWLVWQI-MRXNPFEDSA-N 270.420 4.599 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCCCC[C@H]1C 2290886332 IQTWKRYTOIEZIN-NVXWUHKLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@H](OCC(=O)O)c1ccc(C)s1 2291304745 DMQQLJZMIOIZNT-CQSZACIVSA-N 296.432 4.725 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H]1C[C@@H]1C)OCC(=O)O 2291953270 ZQFYSIQZNYSWEZ-YQQAZPJKSA-N 284.440 4.643 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@@H](C)C1CCC1 2292775815 GQBOXYXGHRWUSH-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@](CCC)(OCCN)[C@@H]1CC1(C)C 2292908468 YSMVAFSNRUSFEP-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@@H](CC(C)(C)C(F)F)OCCCN 2292956673 AHDMCZUBYNAKPM-AWEZNQCLSA-N 293.442 4.762 30 10 CJEE C=CCCCCCCC[C@]1(OCCCN)C=C(C)CC1 2293581817 SEOQRXKBODOHSK-GOSISDBHSA-N 279.468 4.747 30 10 CJEE C=CCCCCC[C@@H](OCCN)[C@H](C)C1CCCCC1 2294032905 NSTFHWOOCJCMAL-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE C=C(C)CC[C@@]1(OCCCN)CC(C)(C)CCC1(C)C 2294068027 FITBGYBVVUETMJ-GOSISDBHSA-N 281.484 4.683 30 10 CJEE O=C(C#Cc1ccccc1Cl)c1cccc(C(F)F)c1 2295156988 SXQWEFPUMRLBKG-UHFFFAOYSA-N 290.696 4.512 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)c1sccc1C 2295678262 XRVYMSBHDRETEP-SJORKVTESA-N 297.508 4.948 30 10 CJEE Cc1cccc2cc(C=CC(=O)c3ccco3)c(Cl)nc12 2297460813 IJXXEWAWFROJHX-UHFFFAOYSA-N 297.741 4.686 30 10 CJEE Cc1ncccc1C=CC(=O)c1cccc(Cl)c1Cl 2297589490 SVEIHJOPZRMRGR-UHFFFAOYSA-N 292.165 4.593 30 10 CJEE C=CCC(CC=C)C(=O)c1cc2sccc2s1 2301056238 WOYRACSQLMWPDL-UHFFFAOYSA-N 262.399 4.914 30 10 CJEE CC[C@@H](CC#N)C(=O)c1c(Cl)ccc(Cl)c1Cl 2301286460 DJSPMVXQASLHJM-ZETCQYMHSA-N 290.577 4.769 30 10 CJEE N#Cc1ccc(C(=O)C=Cc2cc3ccccc3s2)s1 2304914631 ARAWMFZFDRSYCH-UHFFFAOYSA-N 295.388 4.731 30 10 CJEE C=CCC(CC=C)SC[C@@H](N)c1ccccc1Cl 2313523872 FNUIEZIXEBCYNA-OAHLLOKOSA-N 281.852 4.594 30 10 CJEE CC(=CCOCCC(C)(C)C#N)CCCC(C)C 2316519645 ZPUIYDLPRGLAJD-UHFFFAOYSA-N 251.414 4.715 30 10 CJEE C=CCC(CC=C)[C@](C)(O)c1c(Cl)cccc1Cl 2316705236 PRHWTUJOAYTGPT-HNNXBMFYSA-N 285.214 4.969 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1csc(C)c1 2316752266 MSUDMJNFUVSCEP-MRXNPFEDSA-N 263.450 4.866 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCCC[C@H]2C[C@H]21 2319427936 PPPZLWRFESNRCX-GVDBMIGSSA-N 251.458 4.857 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1ccccc1Cl 2321114792 ZCABIYDDFVHPDI-CVEARBPZSA-N 265.828 4.983 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1ccc(F)c(Cl)c1F 2321217947 WGLWSLDTNBHCBT-KGLIPLIRSA-N 274.738 4.644 30 10 CJEE C=CC[C@H](C)[C@H](O)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2321229328 UPNYQLHEFOGWIA-MZBWOGCUSA-N 250.426 4.556 30 10 CJEE C#CC(C)(C)C[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2327987164 GSUUTUHUDHEQFR-OAHLLOKOSA-N 285.214 4.559 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2329774004 NOUHFZKZSKHARG-LJISPDSOSA-N 274.395 4.779 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCC1CC2(C1)CC(C)(C)C2 2337062411 NLCJDVSFZISIIA-JKSUJKDBSA-N 261.453 4.537 30 10 CJEE C=CCC(CC=C)[C@@H](O)[C@@H](c1ccccc1)C(C)C 2338697066 UQZGQSQVORSYRF-QZTJIDSGSA-N 258.405 4.556 30 10 CJEE CCCCCC#CC[C@H](N)[C@H]1C[C@H]2CCC[C@H]1CC2 2338788787 YUZUZYWIWCQABH-XSLAGTTESA-N 261.453 4.504 30 10 CJEE C=CCC[C@H](C)[C@@H](NC)c1ccc(F)cc1C1CC1 2339207691 RMQCIVLVKAGTDF-YVEFUNNKSA-N 261.384 4.566 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1CNc1ccc(C#N)c(Cl)c1 2343117936 GTBNIPPJLMVRFI-TZMCWYRMSA-N 276.811 4.696 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@]12CCCC[C@@H]1C2)NCC 2344378604 MMHLRUHPLCUKPV-XDNAFOTISA-N 263.469 4.927 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1ccccc1OCCC 2344396371 NPYZSTHRZGXKJY-KRWDZBQOSA-N 260.377 4.651 30 10 CJEE C=CCC(C)(C)[C@@H](NCCC)c1sccc1OCC 2344397328 RRBSDNIGSVFNPE-HNNXBMFYSA-N 281.465 4.790 30 10 CJEE N#C[C@]1(C[C@H]2C[C@@H]3CC[C@H]2C3)CCCc2ccccc21 2359358594 LYJIALFRJTZKMO-NOCIGQNYSA-N 265.400 4.611 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCC[C@@H]1O 2360173927 HCEHFSDTUWYLDB-SQNIBIBYSA-N 283.500 4.656 30 10 CJEE Cc1ccc(Cl)c(Nc2ccccc2C#N)c1Cl 20564783 KMDLUTSCRNPJDP-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCCCCCCOc1ccc(CC[C@H](C)O)cc1 59292845 RZXDGTWCLZYRAQ-INIZCTEOSA-N 278.436 4.739 30 10 CJEE N#CCc1cc(-c2ccc(Cl)s2)oc1C(F)(F)F 77086558 PVUUYBWZBVVEPJ-UHFFFAOYSA-N 291.681 4.746 30 10 CJEE Cc1cc(OCC(C)C)ccc1C(=O)/C=C/c1ccccc1 83192979 MYUYWTHLPCDCSX-FMIVXFBMSA-N 294.394 4.926 30 10 CJEE CCC1(CC)CC(C#N)(c2ccc(Br)cc2)C1 86521019 GCIRSLWVSUYNHO-UHFFFAOYSA-N 292.220 4.811 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCC(C)(C)CC2)c1 86914140 DUZCVRDKUTYDDV-KRWDZBQOSA-N 256.393 4.660 30 10 CJEE CCCC(CS)(CCC)COc1ccc(F)cc1 94582931 BTBLHSMAIRNFMG-UHFFFAOYSA-N 270.413 4.721 30 10 CJEE CCCCCCCO[C@H]1CCCCC[C@@H]1NCCC 103981697 FMGUWJQRVJSBCP-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCOCCCCCCNC(C)C 112718117 INEGLZLKYYFOAZ-UHFFFAOYSA-N 271.489 4.922 30 10 CJEE CCCCCCCCCC[C@H](O)c1ccccc1N 113670242 UOWJUCFAOONABW-KRWDZBQOSA-N 263.425 4.833 30 10 CJEE CCCCCCCCC(=O)Nc1cc(N)ccc1Cl 115062000 CFZSPBQCOBNNSQ-UHFFFAOYSA-N 282.815 4.611 30 10 CJEE CCCCCCC[C@@H](O)Cc1nc2ccccc2s1 117691468 XDFJXRVCGMOKDC-CYBMUJFWSA-N 277.433 4.560 30 10 CJEE N#Cc1c(F)cccc1-c1cc2cccc(Cl)c2o1 122216595 KZYYYOXTZUHBIY-UHFFFAOYSA-N 271.678 4.764 30 10 CJEE CCCCCCCCCC[C@]1(O)CS[C@@H](C)C1 124539759 JDIZKTXBQTXGMF-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE CCCCCCCCCC[C@@H](NN)c1cccc(F)c1 125297891 KUJYQXIMCUSCKJ-QGZVFWFLSA-N 280.431 4.861 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1ccc(Cl)cc1OC 125725359 WFSMOFXNFVCYRA-OAHLLOKOSA-N 281.827 4.746 30 10 CJEE Cc1ccc(C)c(COc2c(C#N)oc3ccccc23)c1 126067006 UFWAKZTZTJXEMA-UHFFFAOYSA-N 277.323 4.500 30 10 CJEE CCCCCCCCCOc1cc(Cl)ccc1C(=N)N 135287661 MNGBFEHMEGNPPY-UHFFFAOYSA-N 296.842 4.753 30 10 CJEE CCSc1cccc(Nc2ccc(F)c(C)c2)c1C#N 136659261 FAGFYTZBNBCRTO-UHFFFAOYSA-N 286.375 4.861 30 10 CJEE CCCCCCCCNC1=N[C@@]2(CCC[C@@H](C)C2)CS1 159404097 LYOFSZZNIGFTSN-NVXWUHKLSA-N 296.524 4.988 30 10 CJEE CCCCCCCC(=O)c1cccc2c1CCCN2 159711722 KVMNRWRJXDBTEH-UHFFFAOYSA-N 259.393 4.588 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H](CC)OCC 159783974 ZLMDTUKMPAUTHM-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE N#CC1(Cc2ccc(Cl)cc2F)CCCCCC1 164662423 OYVJNHWTJXNIJX-UHFFFAOYSA-N 265.759 4.886 30 10 CJEE CC1CCC(C#N)([C@H](O)c2ccc(C(C)(C)C)s2)CC1 166300730 XUSZWZFDASGILE-YAJUMTOWSA-N 291.460 4.799 30 10 CJEE CCCCCCCCCCCCC(=O)c1cncn1C 214350524 PFDWZJYYYCZEOO-UHFFFAOYSA-N 278.440 4.914 30 10 CJEE CCCCCCCCCCNc1nccc(OC(C)C)n1 226651742 VRGYGGAVXOSDJV-UHFFFAOYSA-N 293.455 4.816 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CC)CC[C@H]1CNC(C)(C)C 227522690 YBEBEJUJHRELHT-JYJNAYRXSA-N 251.458 4.783 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(C)c1Cl 229756188 ZXUPPCIGRTWECE-CQSZACIVSA-N 251.801 4.655 30 10 CJEE C=CCCCCCC(=O)Cc1ccc(Br)cc1 232459283 DTDNEMFMPUXEIH-UHFFFAOYSA-N 295.220 4.697 30 10 CJEE CCCCCCCC[C@H](NCC)c1cnc(C)s1 232960743 AOZMYTHYVFHAOK-AWEZNQCLSA-N 268.470 4.853 30 10 CJEE CCC1(CNc2cccc(Cl)c2C#N)CCCC1 232966551 SPNDGBFKZMAMOL-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCC[C@H](N)c1cc(C)ccc1Br 235767607 DTFWUYXMMLKCOW-HNNXBMFYSA-N 296.252 4.894 30 10 CJEE Cc1cc(C2(C#N)CCCCC2)ccc1OC(C)C 260891764 VFKXVOKZANZZBP-UHFFFAOYSA-N 257.377 4.508 30 10 CJEE C[C@H]1CCCC[C@@]1(C)Nc1ccc(C#N)c(Cl)c1 308734269 XHGQOKBILAATOV-XHDPSFHLSA-N 262.784 4.592 30 10 CJEE CCCCCCCC[C@@H](N)[C@H]1CC2CCC1CC2 311172725 RRUAYFNNPDZZKY-SJJHQCBESA-N 251.458 4.891 30 10 CJEE N#Cc1ccc(NCC2CCCCCCC2)cc1Cl 311266576 FIFCTJZVJNSPRW-UHFFFAOYSA-N 276.811 4.984 30 10 CJEE N#Cc1cccc2c1ccn2[C@H]1C=CCCCCC1 311341373 PJQVDHLKWRJBCB-HNNXBMFYSA-N 250.345 4.574 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccc(C(F)(F)F)cc2)C1 311367001 SDNWNZKUISZLNK-SMDDNHRTSA-N 267.294 4.677 30 10 CJEE CCCCCCCCCCO[C@H]1CCNCC1(C)C 311963167 INXMYFKGNBOGEZ-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CSc1cccc(NC(C)(C)c2ccccc2)c1C#N 312295198 SBJQNBUVDBVIJP-UHFFFAOYSA-N 282.412 4.627 30 10 CJEE C[C@@H]1CCC[C@](C=O)(C[C@@H]2CSc3ccccc32)C1 317090754 DKFIMQUNKZMJBQ-CKEIUWERSA-N 274.429 4.661 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)Cc1ccccc1C(F)(F)F 317441544 RGQBYEWHDDQHCO-DOMZBBRYSA-N 284.321 4.643 30 10 CJEE CCC1CCC(C=O)(Cc2ccc(F)cc2Cl)CC1 317875970 MBTSROAPNQZDNH-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE CCCCCCCCCC[C@H](O)c1nccn1CCC 385290845 CNDYNLJVZJCONK-INIZCTEOSA-N 280.456 4.857 30 10 CJEE CCCCCCCCCC[C@@H](O)c1nccn1CCC 385290847 CNDYNLJVZJCONK-MRXNPFEDSA-N 280.456 4.857 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)c1cc(C)cc(Cl)c1 387621557 QSGZPJLEASMZJF-KRWDZBQOSA-N 295.854 4.670 30 10 CJEE CC(C)(C)C#CCNc1ccc(Cl)c(C(F)(F)F)c1 388841735 XFELXYSIOSGCLK-UHFFFAOYSA-N 289.728 4.820 30 10 CJEE CC(C)(C)[C@@H]1CS/C(=N/[C@H]2CCCCC23CCCC3)N1 393985880 VVURCGAZWVAGJP-KBPBESRZSA-N 294.508 4.597 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(C(F)(F)F)s2)CC1 394916701 SHTNKXZQCLVPRE-MRVPVSSYSA-N 274.307 4.696 30 10 CJEE CC(C)c1ccc(NC[C@@H](C#N)C2CCCCC2)cc1 397177612 DADYTQXOLFCTPD-QGZVFWFLSA-N 270.420 4.942 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccc(OCCC)cc1 398068666 KXVQPVXZVPSHAL-JKSUJKDBSA-N 275.436 4.871 30 10 CJEE C=C(C)CC[C@H](NCC)c1csc2c1CCCC2 399807771 KQPBHFPJRXMPGI-HNNXBMFYSA-N 263.450 4.634 30 10 CJEE CCCCCCCC[C@@H](N)[C@H](C)CC(F)(F)F 402808310 LHWMXGROTHVYRG-VXGBXAGGSA-N 253.352 4.653 30 10 CJEE C=CCCc1ccccc1NC(=O)c1cc(F)ccc1C 410348565 KBHKLPQUEYSRDZ-UHFFFAOYSA-N 283.346 4.505 30 10 CJEE CCC[C@@H](NCC1CCC(C#N)CC1)C1CCCCC1 442872520 YZOGERGPNDBUIB-LEOMRAHMSA-N 276.468 4.655 30 10 CJEE CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1cccs1 512665909 IAPDDGKCDLJFKL-IAQYHMDHSA-N 288.391 4.561 30 10 CJEE Cc1ccc(NN=C/C=C\c2ccccc2)cc1Cl 606346910 ZCYWCNVMODAKLQ-BPNKNNACSA-N 270.763 4.760 30 10 CJEE CCCCCCCCC[C@]1(CNC)C[C@@H](C)O[C@@H]1C 686470377 KCHCOPJWQACONT-BRWVUGGUSA-N 269.473 4.530 30 10 CJEE CCCCCCCC[C@@H](NC)C(C)(C)C(F)(F)F 690190139 AHRVEGFJPCUPJW-GFCCVEGCSA-N 267.379 4.914 30 10 CJEE C=CCC1(Nc2ccc(N)cc2C(F)(F)F)CCCC1 690748926 JYVIQAMBYPVTSU-UHFFFAOYSA-N 284.325 4.588 30 10 CJEE CCCCCCC[C@](C)(CN)N(C)[C@@H](C)CCC1CC1 691696582 QJZVUJBKKIIXOL-FUHWJXTLSA-N 282.516 4.575 30 10 CJEE N#C[C@]1(Nc2cccc(Cl)c2)CCCC[C@@H]1C1CC1 695952191 AXDDQPVKRCCZSD-HZPDHXFCSA-N 274.795 4.614 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@@H]1CC12CC2 698154269 RDPPOBAYDFSWRL-HOTGVXAUSA-N 251.458 4.905 30 10 CJEE C[C@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)CC(C)(C)C1 708373343 OAHVJKGYLGSVHS-SWLSCSKDSA-N 290.838 4.516 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]2CCCC[C@@H]21 714273877 DOXZEZFLQHMTKC-DIOULYMOSA-N 274.795 4.592 30 10 CJEE C=CC[C@H](C)Nc1ccccc1OCc1ccccc1 715041422 XONWJGJSLMGLBP-HNNXBMFYSA-N 267.372 4.642 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(C)s1 715706211 QRPZRMJCBAXRAR-ABAIWWIYSA-N 251.439 4.618 30 10 CJEE C=C1CCC(C[C@H](Cc2ccc(Cl)cc2)NC)CC1 724544910 MLBIMFJSXNXVIJ-QGZVFWFLSA-N 277.839 4.607 30 10 CJEE C=C1CCC(C[C@@H](N)c2cccc(Br)c2)CC1 724582360 KZOZVYYXRWTIBR-OAHLLOKOSA-N 294.236 4.585 30 10 CJEE C=C1CCC(C[C@H](NCC)[C@@H]2CC[C@@H](CC)C2)CC1 724590604 YKVPOXDOSMSJGC-NXHRZFHOSA-N 263.469 4.927 30 10 CJEE C=C1CCC(C[C@H](N)[C@@H](CCC)CC(C)C)CC1 724617070 KSVXVMWVGNIPBY-IRXDYDNUSA-N 251.458 4.913 30 10 CJEE Cc1ccc(NN=Cc2ccc(C(C)(C)C)cc2)cc1 1083958914 TZJIVWZQUFUCRC-UHFFFAOYSA-N 266.388 4.739 30 10 CJEE C=C[C@@H](OC(=O)c1ccc(C)c(Cl)c1)c1ccccc1 1131134818 QNRPUZCCJLMMRB-MRXNPFEDSA-N 286.758 4.733 30 10 CJEE C=CC(C)(C)CCCNC(=O)[C@@H](C)CC1CCCCC1 1133391636 PXUYXOIFHMQAJN-HNNXBMFYSA-N 279.468 4.702 30 10 CJEE C=CC[C@@H]1CCN1[C@@H](C)c1ccc2ccccc2c1 1176813459 BGRHWIZAIGIMSM-KBXCAEBGSA-N 251.373 4.551 30 10 CJEE C=C(C)CCN[C@@H](C)CCCOc1ccc(Cl)c(C)c1 1181893014 ODTNLDHKXOGLJK-HNNXBMFYSA-N 295.854 4.752 30 10 CJEE C=CCC[C@H](C)NCc1cc(C)n(-c2cccc(C)c2)c1C 1183270311 RVMJTRRKISQZIH-INIZCTEOSA-N 296.458 4.847 30 10 CJEE C#CCCCCCCNc1cccc(C2CCC2)c1 1206022243 GEJSZINBSRWVMN-UHFFFAOYSA-N 255.405 4.950 30 10 CJEE C=CC[C@@H]1CCCN(C[C@H](c2ccccc2)C(C)C)C1 1206598880 XMBCKSJJPNYMKI-MJGOQNOKSA-N 271.448 4.714 30 10 CJEE CCCCCCCN(C)Cc1cccc(C(F)(F)F)n1 1232072588 SEEKPULEYWRSHH-UHFFFAOYSA-N 288.357 4.503 30 10 CJEE C=CCC[C@H](CCC)NCC1C[C@H](C)C[C@@H](C)C1 1308856670 JHENTZILYIMVOR-INMHGKMJSA-N 251.458 4.783 30 10 CJEE C=C1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1 1349984739 LNADKIQOIPXFKL-UHFFFAOYSA-N 271.404 4.669 30 10 CJEE C=CCC(C)(C)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 1350667158 OAGIEXDKZUOVOM-UHFFFAOYSA-N 287.447 4.545 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H](CCCCC)C(C)(C)C 1353459569 SBCHSPUKLMJAML-CABCVRRESA-N 267.457 4.700 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CCc2ccccc21 1355717292 RTULHSSTFSACHT-MAUKXSAKSA-N 285.431 4.515 30 10 CJEE C#Cc1ccc(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c(Cl)c1 1439796523 CDOYTKVWKAXIIG-RYUDHWBXSA-N 291.822 4.578 30 10 CJEE C=C(CC(C)C)C(=O)NCC1CCC(CCCC)CC1 1442218507 FHNVQWYPFKTNDL-UHFFFAOYSA-N 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1653041358 MYZCPDNSQHBKPA-UHFFFAOYSA-N 297.364 4.851 30 10 CJEE C=C(CC)CN[C@H](c1ccccc1F)C1CCCC1 1653886739 QJKSHABKBHNVEZ-KRWDZBQOSA-N 261.384 4.613 30 10 CJEE C=CCCc1ccccc1N[C@H]1CCc2ccccc2C1 1657882093 HYUIQAPRVJHQQG-IBGZPJMESA-N 277.411 4.775 30 10 CJEE C=C(C)CNCc1ccc(-c2ccc(Cl)cc2)s1 1657950885 AMCUYUOILSGAGP-UHFFFAOYSA-N 277.820 4.734 30 10 CJEE CCCCCCC[C@@H](C)NCC1(C(F)(F)F)CC1 1658064301 FATQKMIZWISERA-GFCCVEGCSA-N 265.363 4.668 30 10 CJEE C#Cc1ccc(NCc2cc3ccccc3o2)c(Cl)c1 1663382676 SHXZERMNPWHSJD-UHFFFAOYSA-N 281.742 4.680 30 10 CJEE C=CC(C)(C)NCc1cccc(Oc2ccc(F)cc2)c1 1663427281 FVCCDKDQWXGAEC-UHFFFAOYSA-N 285.362 4.672 30 10 CJEE C#Cc1ccc(CN2CCCC[C@@H]2c2ccc(C)cc2)cc1 1663984149 FHJPNBQZIAHNDZ-OAQYLSRUSA-N 289.422 4.704 30 10 CJEE C=CCCCCC[C@H](C)NCCc1cn(C)c2ccccc12 1665264607 NOMBYDNRRDZSGH-KRWDZBQOSA-N 298.474 4.835 30 10 CJEE C=CCCCCCN(C)C(=O)Nc1cc(F)cc(Cl)c1 1667798899 DKXSWPKBHXBIEY-UHFFFAOYSA-N 298.789 4.689 30 10 CJEE N#Cc1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1 1848368398 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30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C1CC2(C1)CC(C)(C)C2 2127306331 GIFRPXVRCBLSGP-KRWDZBQOSA-N 263.469 4.783 30 10 CJEE C=CC1(CC2(CNCC)CCC(F)(F)CC2)CCC1 2128469705 XTVKUNBNVJKYHD-UHFFFAOYSA-N 271.395 4.538 30 10 CJEE CCCCCCCN[C@H]1c2ccccc2CC[C@H]1C 2129011225 FAEOULSGRLWWOH-CRAIPNDOSA-N 259.437 4.870 30 10 CJEE CCCC(C=O)(CCC)CN(C)[C@@H](C)CCC(C)C 2129512094 GPJLLYFBMSVHBH-INIZCTEOSA-N 269.473 4.528 30 10 CJEE C=CC1(CN[C@@H]2CC[C@@]3(C(C)C)C[C@H]23)CCCCC1 2132980362 BBGKNWVFTSPWOQ-NUJGCVRESA-N 261.453 4.537 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CC[C@H]2C[C@@H]1C2 2133111525 WGIDIRIDTYNYPE-BBWFWOEESA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CCCC(C)(C)C1)NN 2138386526 QXVSRCXWBPIYPI-CVEARBPZSA-N 268.489 4.785 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1CCCC2(CC2)C1 2138956083 HHBVDIPLZITILM-SJORKVTESA-N 261.453 4.519 30 10 CJEE CCCCCC#CCC(=O)c1cnc(C(C)(C)C)s1 2139055454 HHFYVINGWGQNLV-UHFFFAOYSA-N 277.433 4.597 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C1CC1 2139118228 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2148583111 OSKBDSIHOMBGJH-BZSNNMDCSA-N 283.500 4.656 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1ccc(C)s1 2148625936 QLTFKXXHRHNOAS-NVXWUHKLSA-N 297.508 4.819 30 10 CJEE CCCN[C@H](CC#CC1CCCCC1)c1cc(C)co1 2149859864 ZRZVFTHISICAFB-QGZVFWFLSA-N 273.420 4.603 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccn(C(C)C)n1 2153897885 ZUVFFUTUZOTPLH-MRXNPFEDSA-N 279.472 4.865 30 10 CJEE CC1CCC(C#N)(N(C)[C@H]2CCC3(CCCC3)C2)CC1 2155210567 NMZAOOBCRFRNSW-PQUAAJSLSA-N 274.452 4.504 30 10 CJEE CCCN[C@]1(C#N)C[C@@H](S[C@H](C)C(C)C)CCC1(C)C 2155400356 JEKQYNDHSYVJKD-VYDXJSESSA-N 296.524 4.605 30 10 CJEE CCCCCCCCC(=O)c1ccccc1P(C)(C)=O 2155968035 JMQAQUZQXVJYMH-UHFFFAOYSA-N 294.375 4.868 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@]2(C1)CC2(F)F 2156170362 AQSYSPUSWSMETR-JSGCOSHPSA-N 296.748 4.592 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)[C@@H]1CCC[C@@H]1C(F)(F)F 2158323595 KBQCHMLXBQQWOG-XGUBFFRZSA-N 291.401 4.936 30 10 CJEE CC(C)C[C@@H]1CSC(=N[C@@H]2CCC[C@H](C(C)C)CC2)N1 2159442035 RIAFRDFWDHVXPC-ARFHVFGLSA-N 296.524 4.698 30 10 CJEE Cc1cc(N[C@@H]2CCC[C@H](C(C)C)CC2)ccc1C#N 2159458387 TURAIMWLBWINPZ-DOTOQJQBSA-N 270.420 4.884 30 10 CJEE CCCCCCCNc1c([N+](=O)[O-])ccc(NC)c1Cl 2159683546 JDCQCOXJZNUBNM-UHFFFAOYSA-N 299.802 4.672 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc2cn(C)nc2c1 2159963721 LMZCQVYCTAKFSL-AWEZNQCLSA-N 273.424 4.734 30 10 CJEE CCCCCCCC[C@H](NC)c1ncoc1C(C)(C)C 2160419340 VWVMZGYEOSXEFE-AWEZNQCLSA-N 280.456 4.983 30 10 CJEE CCCCCCCCCC(=O)c1ccn(C2CCC2)n1 2164063512 UGFMSTPCJOZFDX-UHFFFAOYSA-N 276.424 4.932 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CCCCCN1 2164177784 OVGLIASSPNFIEP-MSOLQXFVSA-N 282.516 4.637 30 10 CJEE CCCCCCC[C@@H](C)NC[C@H]1CC2(CCCC2)CO1 2166225193 SCRDHTCWTMZWFE-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE N#C[C@@]1(c2ccnc3cc(Cl)ccc23)CCC12CCC2 2166800503 PXUWLZANEDFBKF-QGZVFWFLSA-N 282.774 4.614 30 10 CJEE C=C1CC(CNC(C)(C)C)(CC2[C@@H]3CCCCC[C@@H]23)C1 2167375309 SQOFNFPKSPVHBD-HZPDHXFCSA-N 275.480 4.927 30 10 CJEE C[C@@H]1CC(C#N)(C[C@@]2(C)CCCCC2(F)F)C[C@@H](C)O1 2167969800 JEFCMVYTAKGUJG-MGPQQGTHSA-N 285.378 4.689 30 10 CJEE C=CC1(C[C@@H](NC)c2cccc(C(F)(F)F)c2)CCC1 2168023304 KWWIMHNMOXOHKO-CQSZACIVSA-N 283.337 4.712 30 10 CJEE C=CC1(C[C@@H](CCOCCC(C)C)NCCC)CCC1 2168028016 IVGBTQILHCJPPI-QGZVFWFLSA-N 281.484 4.554 30 10 CJEE CC1(C)CCC[C@](C#N)([C@@](C)(O)c2ccc(Cl)cc2)C1 2168548412 OWFPYFUSUGKTKV-IRXDYDNUSA-N 291.822 4.658 30 10 CJEE CN(c1cc(Cl)ccc1C#N)C1CCC2(CCC2)CC1 2171498356 VOYPQMRKTNTBFO-UHFFFAOYSA-N 288.822 4.761 30 10 CJEE C#CCCCC[C@@H](NCCC)c1ccc(Cl)c(OC)c1 2173497724 OECVGCAGMTYBMU-MRXNPFEDSA-N 293.838 4.583 30 10 CJEE Cc1scc([C@@H](O)[C@]2(C#N)CCCCC23CCC3)c1C 2173626488 RALWOBXFTZYJCJ-NVXWUHKLSA-N 289.444 4.653 30 10 CJEE CCCCCCCCCCCCO[C@H]1CNC[C@H]1CC 2176284171 HIURJTSGHZHLML-MSOLQXFVSA-N 283.500 4.922 30 10 CJEE N#CC1(C2(O)CCCCCCCC2)CCC2(CC2)CC1 2176620668 AJAZROJVXGIZAH-UHFFFAOYSA-N 275.436 4.716 30 10 CJEE C=CCCCN(C)c1c([C@@H](C)NCC)ccc(Cl)c1F 2176953680 AWRJERJLQHGMMN-GFCCVEGCSA-N 298.833 4.552 30 10 CJEE c1ccc(-c2ccc(CCCCC[C@H]3CO3)cc2)cc1 2179676477 GFPVUPAZMHGSNE-IBGZPJMESA-N 266.384 4.855 30 10 CJEE C=CCCCC[C@H](NCC)c1ccc(OCC=C)cc1 2179683468 UMXIEALXEAPGSS-SFHVURJKSA-N 273.420 4.648 30 10 CJEE CCCCCC1CC(O)(C2(C#N)CCC(CC)CC2)C1 2180061628 DUDFAISOECBITA-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CN(CC1CC2(C1)CC(C)(C)C2)CC1(CS)CCCC1 2183204454 RAFXCDAZTAVMOO-UHFFFAOYSA-N 295.536 4.625 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CC[C@@]2(CCCOC2)C1 2185138497 SOYXRCYTRAIHSX-BZSNNMDCSA-N 281.484 4.674 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H]1CCCOC1(C)C 2187035047 AGAUYGIWGURFHC-IRXDYDNUSA-N 283.500 4.920 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2CCCCC23CCC3)c1 2188838209 ADFWDDLPSJCEOP-QGZVFWFLSA-N 268.404 4.645 30 10 CJEE C=C1CC(CNC(C)C)(Cc2cccc(C(F)F)c2)C1 2189380557 HXKVHRWLQOLSRK-UHFFFAOYSA-N 279.374 4.501 30 10 CJEE CCCC1(C(=O)[C@@H](C#N)c2c(F)cccc2Cl)CCC1 2189684720 LXMNKGNBXMZVDL-NSHDSACASA-N 293.769 4.626 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(C[C@H]2C3C[C@@H]4C2[C@@H]4C3)C1 2190987110 CCRMOYOFARADPU-RDRUIREHSA-N 274.448 4.700 30 10 CJEE CC1(C)CCC[C@](C=O)(C2CC(c3ccccc3)C2)C1 2191367544 FPVRBKVMGQBGIW-TVPLGVNVSA-N 270.416 4.966 30 10 CJEE CC(C)(C)C1(CN=C2NC3(CCCC3)CCS2)CCC1 2192001814 FUEQLFUUJANZBG-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE CC#CCCCC[C@@H](C[C@H]1CCCC1(F)F)NCCC 2196172781 WMXKRGZCQIWMRB-CVEARBPZSA-N 285.422 4.764 30 10 CJEE CCCCCCCCN(C)C[C@@H](C#N)c1ccccc1 2196690700 LVSVLZOXPUKNNE-GOSISDBHSA-N 272.436 4.586 30 10 CJEE CCCCCCCN(C)c1cc(C)ccc1CNCC 2196735708 ZREGVNSCBFHFGD-UHFFFAOYSA-N 276.468 4.511 30 10 CJEE C#CC[C@H](C[C@@](C)(N)C1CCC(CCC)CC1)C1CC1 2196822029 INACNJDSKIULHH-DZQINNCISA-N 275.480 4.750 30 10 CJEE C#CC[C@H](C[C@H](NCCC)[C@H](C)C1CCCC1)C1CC1 2196838275 XULIMJFALTUGNA-LZQZEXGQSA-N 275.480 4.621 30 10 CJEE C#CC[C@@H](C[C@H](NCCC)c1csc(C)c1C)C1CC1 2196854697 AKMKNRYXSKJUOY-WMZOPIPTSA-N 289.488 4.845 30 10 CJEE CC(C)CN(c1ccccc1C#N)C1CCCCCC1 2197122561 SKGVMCCJAAWWLF-UHFFFAOYSA-N 270.420 4.743 30 10 CJEE CSc1ccc([C@H](C)Nc2ccc(C)c(C#N)c2)cc1 2199344740 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C=CCCCCCCCN[C@@H]1CCC[C@@H]1C(F)(F)F 2227271757 MDDXLOXBYDSHOE-UONOGXRCSA-N 277.374 4.834 30 10 CJEE C=CCCCCCCCN1CCc2ccccc2C1 2227279637 JDOZFFZEVQNWGZ-UHFFFAOYSA-N 257.421 4.571 30 10 CJEE Cc1cc(Cl)cc([C@H](C)Nc2ccccc2C#N)c1 2229670095 IIOBYTFGUFKPTB-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CC(C)(C#N)OCCSCCCCCCCC1CC1 2230900976 JCPONAOIGDJWRN-UHFFFAOYSA-N 283.481 4.789 30 10 CJEE CCCCCCCCCCOCc1[nH]c(=N)sc1C 2231015164 OUVRHECDNOFOMY-UHFFFAOYSA-N 284.469 4.521 30 10 CJEE C=C[C@H](CCCCC)O[C@@H](CC)CNC(CC)CC 2231024419 HMCFBBVMDDYIDO-SJORKVTESA-N 269.473 4.695 30 10 CJEE CCCCCCCNCCCCC(F)(F)C(F)(F)F 2231749873 XRCKRARDLWBEFP-UHFFFAOYSA-N 289.332 4.914 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 2231899476 BWLUOSZIKWUGOB-XGUBFFRZSA-N 274.395 4.779 30 10 CJEE CCCCCCCC[C@](C)(OC1CCCC1)C(=O)O 2231902679 FWBMOTPGNKRQTI-INIZCTEOSA-N 270.413 4.540 30 10 CJEE O=C[C@]1(C[C@H]2CC[C@H]2C(F)(F)F)CCCCC12CCC2 2232689603 WFGCHPZSQKLKNP-UMVBOHGHSA-N 288.353 4.895 30 10 CJEE 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253.361 4.537 30 10 CJEE CCCCCCCCn1ccc2ccc(CNC)cc21 112933686 TWFIIONKCKDPKM-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCCCCCN[C@@H]1C[C@H]2CC[C@@H]1C2 114640870 NCFRWASKEFUMCR-GVDBMIGSSA-N 251.458 4.905 30 10 CJEE CCCCCCCCC(=O)[C@@H](C#N)c1ccc(F)cc1F 115858195 CHCLEBQDDUCSOV-HNNXBMFYSA-N 293.357 4.892 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@](C)(CC)N1CCCC1 118161373 NRNREXSWIFCCBF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](NCCC)C1(N(C)C)CCCC1 118174650 MKKRPYAROKBKAO-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@H](CN)c1cccc(Cl)c1 118855779 ZFXWNXWMASWOOK-CQSZACIVSA-N 253.817 4.743 30 10 CJEE Cc1cc(NC(C)(C)CCc2ccccc2)ccc1C#N 133757435 JKPHXXZKUBSGTK-UHFFFAOYSA-N 278.399 4.690 30 10 CJEE CC[C@@H]1CC[C@H](C)N1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 136160175 MRHNKPJUNVVPKQ-MZBWOGCUSA-N 276.468 4.604 30 10 CJEE Cc1cc(Oc2c(C)cc(Cl)cc2C)c(C#N)c(C)n1 156597938 QHJUPGSISFRNDA-UHFFFAOYSA-N 286.762 4.633 30 10 CJEE CCCCCCCCC(=O)[C@H](OC)c1ccccc1 161498137 JVHAXFCAIOMZDJ-QGZVFWFLSA-N 262.393 4.694 30 10 CJEE C=CCN(CCC)c1ccc([C@@H](C)NCCC)cc1Cl 162257397 XFVBKVIFJGIZFS-CQSZACIVSA-N 294.870 4.803 30 10 CJEE N#Cc1ccc(COc2cccc3ccccc23)c(Cl)c1 162969362 HDNJZDMUDUOJMT-UHFFFAOYSA-N 293.753 4.944 30 10 CJEE C[C@](O)(CCCC(F)(F)F)C1(C#N)CCCCCCC1 163798296 PSQHIFJMJSDVCO-ZDUSSCGKSA-N 291.357 4.724 30 10 CJEE CCCCCCC[C@H](NC)[C@H](OCC)C1CCCCC1 167601735 KSSKILRNBDOJSO-ZWKOTPCHSA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(C)c(OC)c1 168360564 QAMYDJXRFFIQSV-INIZCTEOSA-N 264.409 4.788 30 10 CJEE CCCCCCCCCC(=O)Cc1ccc(CC)cn1 168792558 MTWRGDSYTVFKGL-UHFFFAOYSA-N 275.436 4.896 30 10 CJEE C[C@H](NCc1cc(C#N)cs1)c1ccc2ccccc2c1 177680483 OTBRBKCLMKCKRP-ZDUSSCGKSA-N 292.407 4.624 30 10 CJEE CC[C@H]1CCCC[C@@H]1Oc1ccc(CC/C(C)=N\O)cc1 215965830 XJPXDKPEIYJNNS-BMQSWFOLSA-N 289.419 4.817 30 10 CJEE CC(C)(C)c1ccc(Br)cc1C(C)(C)C#N 218829231 ONHQNJWVKJTJRB-UHFFFAOYSA-N 280.209 4.548 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 221775620 QIIVKPLOZAOAFQ-OHQAAIJDSA-N 284.447 4.670 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccn2)C1 222252298 OUOJTDHFMHYNRX-MCIONIFRSA-N 274.433 4.528 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@@H](CC)CC2)C1 226983214 NHYNYMMPMUDAEH-VSZNYVQBSA-N 276.468 4.607 30 10 CJEE N#CC1(Cc2nc3ccccc3s2)CCCCCC1 228475208 DYMWGIPXQFYNSX-UHFFFAOYSA-N 270.401 4.703 30 10 CJEE CCCCCCCCCCCCN[C@@H](C)CNCCC 229112501 DNEUSTOOGMKISQ-SFHVURJKSA-N 284.532 4.885 30 10 CJEE CCC(=CC(=O)Cc1ccc(Cl)cc1Cl)CC 232869744 BTOZQUJXNPTPGF-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE CCCCCCCCC[C@@H](N)c1nc(C)cs1 232923769 IEMUTVMRNRRURE-CYBMUJFWSA-N 254.443 4.592 30 10 CJEE CCCCCC(C)(C)CNc1nccc(C#N)c1Cl 232934281 RUFFIBQWULOTCW-UHFFFAOYSA-N 279.815 4.625 30 10 CJEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)c(F)c1 233102337 DPXJBRYJCWMLAO-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE C=CCCCCC[C@@H](Cc1cc(C)ccc1C)NCC 233537509 XGTLXSBIXOBHRQ-IBGZPJMESA-N 273.464 4.961 30 10 CJEE O=C(Cc1c(Cl)cccc1Cl)C1=CCCCC1 236034561 QPYBHTWMDCYOCN-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE CCCCCCCCN1C[C@H](CCC)NC[C@H]1[C@H](C)CC 250836408 VCIXAQLAANLOGB-QYZOEREBSA-N 296.543 4.836 30 10 CJEE CCOc1ccc2ccccc2c1C=Nc1ccccc1 254378244 OLSNSAPPYYKWEC-UHFFFAOYSA-N 275.351 4.989 30 10 CJEE N#CC1(c2cc(F)cc(C(F)(F)F)c2)CCCCC1 260290988 MSVWEAUSOFWVFD-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE CC(C)(C)C#CCNc1cc(Cl)c(F)c(Cl)c1 302293727 XXDQJPRZRCADSZ-UHFFFAOYSA-N 274.166 4.594 30 10 CJEE Cc1cccc(Nc2ccc(Cl)cc2C#N)c1Cl 302323609 QJYZVYSXEGQLIC-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CCCC[C@@H](C)[C@H](CC#CC(C)(C)C)NCCC 306033642 QKXGMRBYWOOPAM-CVEARBPZSA-N 251.458 4.621 30 10 CJEE CCCCCCC[C@@H](O)CCc1ccc(Cl)cc1 308438201 UQGQPAHYFPNWNO-MRXNPFEDSA-N 268.828 4.994 30 10 CJEE CC[C@@H]1CC[C@](C=O)(CCSc2ccccc2)C1 316695648 HYSKXEJPMJKUBH-ZBFHGGJFSA-N 262.418 4.564 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2C[C@H]3CCCC[C@H]3O2)CC1 317100991 FIGZJULOHTYISG-ONWVLEABSA-N 278.436 4.510 30 10 CJEE N#C[C@]1(Nc2ccc(Cl)cc2)CCCC12CCCC2 380846196 QZMPNLQRERWBKU-MRXNPFEDSA-N 274.795 4.759 30 10 CJEE CC(=O)[C@](C#N)(CCCCCC(C)C)c1ccccc1 383400376 RYOJYKMUAHOUCH-GOSISDBHSA-N 271.404 4.643 30 10 CJEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)c(F)c1 387634562 VGOOJGFOJYLEJS-MRXNPFEDSA-N 299.817 4.501 30 10 CJEE CCCCCCCCC(=O)c1ccnc(OCC)c1F 394408530 NBUGWWAKBKMMBG-UHFFFAOYSA-N 281.371 4.553 30 10 CJEE C=C(C)CCOCCC(CC)(CC)CNC(C)(C)C 395727963 VRUFSVLHKOQRBZ-UHFFFAOYSA-N 269.473 4.554 30 10 CJEE CCc1ccc(C(=O)/C=C\c2sccc2C)cc1 606208020 DQBOTAYMSSHIEM-HJWRWDBZSA-N 256.370 4.515 30 10 CJEE C[C@H]1CC=C(C(=O)CC(C)(C)c2ccccc2)CC1 686734940 ZNFQCLJVOVTRGF-AWEZNQCLSA-N 256.389 4.670 30 10 CJEE C[C@@H]1CCCC[C@@]1(O)C1(C#N)CC(C)(C)CC(C)(C)C1 688336347 CNDNBNSTCGQLEN-KDOFPFPSSA-N 277.452 4.674 30 10 CJEE N#Cc1ccc(OCCCC2CCC2)c(C(F)(F)F)c1 688862508 YEVPJMKUCRNQRH-UHFFFAOYSA-N 283.293 4.536 30 10 CJEE C=C(CNc1ccc(F)c(CC)c1)c1ccccc1 690113024 BYAWZTCCCAOCTJ-UHFFFAOYSA-N 255.336 4.513 30 10 CJEE CCSc1cccc(N2CCCC[C@H](CC)C2)c1C#N 703201728 YRXCRYACVSUCGW-AWEZNQCLSA-N 288.460 4.687 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)ccc(F)c1Cl 705524110 BUBZPLWRANEIQU-GFCCVEGCSA-N 275.770 4.979 30 10 CJEE CCCCCCCC[C@@](C)(N)c1sccc1C 707569830 VTQRZUIEXWCTCR-OAHLLOKOSA-N 253.455 4.981 30 10 CJEE N#C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 708028829 LSMXZIDZKPJHGN-OBCWZRDOSA-N 279.305 4.749 30 10 CJEE CSc1cccc(N[C@H](C)[C@@]23CCCC[C@H]2C3)c1C#N 708879989 RGLWCHBFCKXMGN-IGCXYCKISA-N 286.444 4.661 30 10 CJEE C[C@@H](COc1cccc(Cl)c1C#N)CC(C)(C)C 709232560 DCZSCQJEWCAOIZ-LLVKDONJSA-N 265.784 4.663 30 10 CJEE C[C@@H](CNc1ccc(C#N)cc1Cl)CC(C)(C)C 709250142 SMNKYBWEWFSQNO-LLVKDONJSA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712601418 SGGRTICJVWIXFD-SNVBAGLBSA-N 284.108 4.501 30 10 CJEE CC[C@H](C)C[C@@H](C)/N=C1/NC2(CCCCCC2)CS1 713180970 NCOOGBPLWVLKJO-UONOGXRCSA-N 282.497 4.597 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1scc(C)c1Cl 715785924 GNWFSYXGQYKRNT-BXKDBHETSA-N 257.830 4.573 30 10 CJEE C[C@H]1CC([C@@H](C#N)Sc2cccc(F)c2)C[C@H](C)C1 719375995 DILORZNYQHZUOE-XHBSWPGZSA-N 277.408 4.882 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H]1C[C@H](C)O[C@H](C)C1 724292471 JOBZQYZWXPHFIG-LTIDMASMSA-N 269.473 4.658 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@@H](CCC)OCC)CC1 724571970 ZVFPNRBDOGPIFW-QZTJIDSGSA-N 281.484 4.696 30 10 CJEE C=C1CCC(C[C@@H](Cc2ccccc2Cl)NCC)CC1 724575453 MUKGTMRUGSOXJW-KRWDZBQOSA-N 291.866 4.997 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CCCc3ccccc32)CC1 724592246 KRSMDDCTSRVBOY-GOSISDBHSA-N 268.400 4.812 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2CC3CCC2CC3)CC1 724605547 MZYFRCHSVAFHBA-XAWIXRBMSA-N 261.453 4.537 30 10 CJEE CC(C)C(C)(C)C/N=C1/N[C@H](C2CCCCC2)CCS1 725108810 PGKQKORKTAOCBL-HNNXBMFYSA-N 296.524 4.700 30 10 CJEE C#CC[C@H](N[C@@H](CC)c1cccc(OC)c1)c1ccccc1 773106852 MDFMVJORHVJWAX-PMACEKPBSA-N 293.410 4.501 30 10 CJEE C#CC[C@H](N[C@@H](C)c1cc2c(s1)CCC2)c1ccccc1 773116455 RSOHESXEFBELFO-YOEHRIQHSA-N 295.451 4.652 30 10 CJEE C=C(CC)CN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 1169125765 VMBXXXBMYAUPAR-STQMWFEESA-N 285.353 4.753 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2C)C1 1202018391 MWAHVEPESMYDSR-CJNGLKHVSA-N 297.364 4.848 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC[C@H]2C2CCCC2)c1 1220336596 BFAPAAABNUOEPD-KRWDZBQOSA-N 284.403 4.516 30 10 CJEE C=CCN(C(=O)N[C@@H](CCCCC)C(C)(C)C)C(C)C 1227623386 WLJABYUXCGEUAU-HNNXBMFYSA-N 282.472 4.587 30 10 CJEE C=C1CCC(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1 1264762188 ZWXXANDLRFUHJY-SFHVURJKSA-N 299.458 4.945 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCCc1ccccc1CC 1307924820 UDJIPVOEMRBWDH-RBUKOAKNSA-N 271.448 4.516 30 10 CJEE C=CCC1(C(=O)Nc2cccc3ccccc23)CCCC1 1349562927 AUMGJQZIYSLFEL-UHFFFAOYSA-N 279.383 4.915 30 10 CJEE C#CCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 1351241192 MBDHDTGJJDBBGK-UHFFFAOYSA-N 293.366 4.611 30 10 CJEE C=CCCC[C@H](C(=O)N[C@H]1CCC[C@H](C)C1)c1ccccc1 1354706663 VCZTXYQFHBWIOL-WDSOQIARSA-N 299.458 4.821 30 10 CJEE C=CCN(C(=O)C[C@@H](C)C1CCCCC1)c1ccccc1 1355008285 LAAJIGKNTFSYFD-MRXNPFEDSA-N 285.431 4.812 30 10 CJEE C#Cc1cccc(N(CC)C(=O)C[C@H](C)CCC=C(C)C)c1 1359803814 QFVSOXOIJBLJMJ-QGZVFWFLSA-N 297.442 4.793 30 10 CJEE C=C[C@@H](CC)CC(=O)N[C@@H](c1ccccc1Cl)C(C)C 1360238968 GUJPGLDPNFWPDI-SUMWQHHRSA-N 293.838 4.756 30 10 CJEE C=CCC1(C(=O)O[C@@H](C)c2ccccc2F)CCCCC1 1435771315 AEZTZUJEBQLPBZ-AWEZNQCLSA-N 290.378 4.957 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2cc(Cl)c(OC)c(OC)c2)C1 1462385803 DSLRWOXIHKPKRJ-NWDGAFQWSA-N 295.810 4.514 30 10 CJEE C=CC(C)(C)CNC(=O)Nc1ccccc1C(F)(F)CC 1467172861 PXSLUBXPRNIKPG-UHFFFAOYSA-N 296.361 4.522 30 10 CJEE C=CC[C@H]1CC[C@@H](Nc2ccc(OC(C)C)c(OC)c2)C1 1474422106 QEVLUIQTRSKNBK-LSDHHAIUSA-N 289.419 4.639 30 10 CJEE C=CCCCCCN(C)C(=O)NCC[C@@H]1CCCC1(C)C 1479018156 DDJXJAFBACCXTL-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=C1CCC(C(=O)Oc2ccc(C3CCC3)cc2)CC1 1521645423 SABDMCDRUGVEOO-UHFFFAOYSA-N 270.372 4.606 30 10 CJEE C=CC1(CC(=O)Oc2cc(F)c(F)cc2C)CCCCC1 1525671128 XCQTYDAKPRJTEK-UHFFFAOYSA-N 294.341 4.705 30 10 CJEE CC#CCCCC(=O)Nc1c(C)cc(Cl)c2ccccc12 1537919318 SOLZKUIIRSKBLG-UHFFFAOYSA-N 299.801 4.934 30 10 CJEE 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Cc1ccc(S[C@H]2CCCCC[C@H]2C#N)cc1C 37155479 DCSFDZZZKVTYSY-HOCLYGCPSA-N 259.418 4.868 30 10 CJEE CCC(C)(C)C1CCC(C#N)(NCc2cccs2)CC1 37939669 KNTUEVWFDRVQGF-UHFFFAOYSA-N 290.476 4.726 30 10 CJEE C[C@@H](C[C@@H](C#N)Nc1ccc(Cl)cc1)c1ccccc1 43535204 OKUMCLQBRTUOAP-GUYCJALGSA-N 284.790 4.838 30 10 CJEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(CC)Cc2cccs2)C1 48970461 YJWAVULFTNCQPT-YQQAZPJKSA-N 290.476 4.679 30 10 CJEE N#Cc1oc2ccc(Cl)cc2c1-c1ccccc1 52068712 YREIRORKKASFFD-UHFFFAOYSA-N 253.688 4.625 30 10 CJEE Cc1cccc(S[C@H](CC#N)c2ccccc2)c1 55022881 CQZLVXFWQAXBTF-MRXNPFEDSA-N 253.370 4.742 30 10 CJEE Cc1ccc(OCCC[C@@H](C#N)c2ccccc2F)cc1 57686399 ABDZNSSJYOATCJ-HNNXBMFYSA-N 283.346 4.601 30 10 CJEE CCC(CC)n1ccc(C[C@@]2(C#N)CCC[C@H](C)C2)n1 87930277 ZUCIRIHAXRGQCV-WMLDXEAASA-N 273.424 4.507 30 10 CJEE CCCCCCCCCCCCN1CCC[C@H]1CC(=O)O 88230966 VHXHIBRCVONWDA-KRWDZBQOSA-N 297.483 4.846 30 10 CJEE Cc1ccc([C@H](O)C2(C#N)CCC(C(C)C)CC2)c(C)c1 91882522 RFPUEDBZAWVRIW-AVAKVYKDSA-N 285.431 4.693 30 10 CJEE CCCC(CS)(CCC)COCCCC(C)C 94584037 QPJKTXYMOBZWED-UHFFFAOYSA-N 260.487 4.956 30 10 CJEE CCCCCCCCCC1(N)Cc2ccccc2C1 103951274 WPUZOLQVEWYALW-UHFFFAOYSA-N 259.437 4.623 30 10 CJEE CCCCCCCCCN1CCC(CCC)(C(=O)O)CC1 109036687 GHHSAXSQXDBLIA-UHFFFAOYSA-N 297.483 4.704 30 10 CJEE CCCCCCCOC[C@H](O)c1ccc(C(C)C)cc1 110022398 PRLNGQSZOZGAFM-SFHVURJKSA-N 278.436 4.830 30 10 CJEE CC(C)Cc1c(C#N)oc2ccc(C(C)(C)C)cc12 110162262 JNULJKWONXVYMD-UHFFFAOYSA-N 255.361 4.800 30 10 CJEE CCCCCCCOCc1cc(CNCCC)oc1C 110170232 WHYLWMNYLVCRDM-UHFFFAOYSA-N 281.440 4.575 30 10 CJEE CCCCCC[C@@H](C)Oc1nc2c(cc1C#N)CCCC2 110261722 PRVGHVUPOAKZDU-CQSZACIVSA-N 286.419 4.570 30 10 CJEE Cc1ccc(C#N)c(Sc2ccc(C)c(C)c2)c1 110354087 PBLOLPSYKNZMKT-UHFFFAOYSA-N 253.370 4.635 30 10 CJEE CCCCCCCC[C@@H](CS[C@H](C)CC)NC 114866381 YPIQOQVJMFFOTL-CABCVRRESA-N 259.503 4.857 30 10 CJEE CCCCCCCC[C@]1(C(=O)O)CCc2ccccc21 116257758 LTUZXCQRRSBHFB-SFHVURJKSA-N 274.404 4.706 30 10 CJEE CCCCCCCC[C@]1(O)CCc2ccc(OC)cc21 118734278 YXGWCTPANJFECN-SFHVURJKSA-N 276.420 4.580 30 10 CJEE CC1(C)CC(Nc2ccc(F)cc2C#N)CC(C)(C)C1 129739971 FDEVAKSPRBNSDI-UHFFFAOYSA-N 274.383 4.714 30 10 CJEE CCCCCCCOc1cc(Cl)nc(C(C)(C)C)n1 131481446 GTKMGEVHSTWRHC-UHFFFAOYSA-N 284.831 4.777 30 10 CJEE CCSc1cccc(N(C)C2CCCCCC2)c1C#N 136628574 LMNXSRPKRJBVQU-UHFFFAOYSA-N 288.460 4.829 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cc(C)nnc1C 140442823 VGDDOHXFSZGJBQ-GOSISDBHSA-N 291.483 4.885 30 10 CJEE CCCCCCCCO[C@H](C)[C@@H](N)c1ccc(F)cc1 140788535 IVEBLPWIGNPYAU-RHSMWYFYSA-N 281.415 4.591 30 10 CJEE CCCCCCCCC[C@H](N)[C@@](C)(CC)OCC 159866978 IDJAVMDYODOLFY-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE CCCCCCCC[C@]1(O)CCc2ccc(C)cc21 163508878 IHGPOVYZPZXWAO-SFHVURJKSA-N 260.421 4.879 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 164004825 UHOJEZVCFINLFY-SNVBAGLBSA-N 284.325 4.814 30 10 CJEE C=C(C)CC[C@@H](NCC)c1ccc2ccccc2c1 164565347 OOOCKOMWHONNJE-GOSISDBHSA-N 253.389 4.847 30 10 CJEE CCCCCCCCCCC[C@H](N)C1CCOCC1 165022744 XOMWWUPYSIUZTJ-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE C=CCCC[C@H](NCCC)[C@@]1(OCC)CCC[C@H](C)C1 166621372 RDZZAXYGCIXSQA-OKZBNKHCSA-N 281.484 4.696 30 10 CJEE C=CCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 168519669 BNGFFRGZBSYKHH-MRVPVSSYSA-N 278.610 4.874 30 10 CJEE Cc1cccc(C#N)c1NC1CC(C)(C)CC(C)(C)C1 221099409 HJTGFLVENQYBKI-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 228878955 NJNHINOCPLPGOA-MBNYWOFBSA-N 274.433 4.517 30 10 CJEE C=C(C)C[C@H](NCC)[C@H](c1ccccc1)[C@@H](C)CC 229739373 KQPHDTIHCQYQDL-SZMVWBNQSA-N 259.437 4.761 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(C)cc1Br 229755152 LHETXRYWVVOIHX-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE Cc1ccc(N[C@@]2(C#N)CCC[C@H](CC(C)C)C2)cc1 230779366 AUXJVPARHZLOGZ-AEFFLSMTSA-N 270.420 4.906 30 10 CJEE Cc1ccc(Cl)c(NCc2ccc(C#N)cc2Cl)c1 232243965 YROIAKPVDHOJLE-UHFFFAOYSA-N 291.181 4.786 30 10 CJEE CCCCCCCCC[C@@H](O)C1(C#N)CCCC1 232942008 TWLBOZHPHBPMPG-OAHLLOKOSA-N 251.414 4.572 30 10 CJEE CCCCCCCC[C@H](CC1(OC)CCC1)NCC 232946705 KCNXIIZRFPMPAO-MRXNPFEDSA-N 269.473 4.674 30 10 CJEE CC(C)(C)C1CCC([C@H](O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 252806192 GVIIRYLZABYXER-HNOVWTNPSA-N 289.463 4.530 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1C[C@@H]2C[C@@H]2C1 252906227 UCDAOOGXRKMWTM-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE CC(=NNc1ccc(F)cc1)c1ccc2ccccc2c1 254866661 PKRXEBKYIBPLHA-UHFFFAOYSA-N 278.330 4.815 30 10 CJEE CC(C)(C)C#CCC(=O)c1cc(Cl)sc1Cl 300826022 ZWZMOQKMURHHLQ-UHFFFAOYSA-N 275.200 4.677 30 10 CJEE CC(C)C1CCC(C#N)(Cc2csc(Cl)n2)CC1 310840721 BAKLDLFXMHOVQM-UHFFFAOYSA-N 282.840 4.695 30 10 CJEE C=CCCCCC[C@]1(C#N)CCc2ccccc2C1 311560741 NBSKCOGQANOTEP-SFHVURJKSA-N 253.389 4.822 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cn[nH]c1 311879040 MUCWCYLDUYBGFW-INIZCTEOSA-N 265.445 4.591 30 10 CJEE C#CCCCC1(CNCC)CCC(C(C)(C)C)CC1 318168520 ZZBJJZLMOSJKBB-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C=C(C)CC[C@@]1(CNCC(C)C)CC[C@@H](CC)C1 319291835 ZPVXUGMYRHYCHD-IAGOWNOFSA-N 251.458 4.785 30 10 CJEE Cc1nccc(C2(C#N)CCCCCCC2)c1Cl 386355420 NREDVOMKHVIKMJ-UHFFFAOYSA-N 262.784 4.549 30 10 CJEE C=C(C)CCNCc1sc2ccccc2c1Cl 386856672 IVXFWCGKXQPUBQ-UHFFFAOYSA-N 265.809 4.611 30 10 CJEE CCCCCCC[C@H](C)N(C)[C@@H](CC(C)(C)C)C(=O)O 387447157 ATJUOUWCEDFRPK-GJZGRUSLSA-N 285.472 4.557 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(-c2ccccc2)cc1 393749711 BDHJSHJQXVIKDY-LJQANCHMSA-N 265.400 4.798 30 10 CJEE C[C@H](/N=C1/N[C@@H](C2CCCCC2)CS1)C1CCCCC1 395138858 GLJXTMLNEQPXKM-XJKSGUPXSA-N 294.508 4.597 30 10 CJEE C[C@H](NC[C@@H](C#N)C1CCCCC1)c1cccc(Cl)c1 397209606 WCFRFMYOZDOQFR-XJKSGUPXSA-N 290.838 4.711 30 10 CJEE CC(C)CCC[C@@H](C)NC[C@@H](C#N)C1CCCCC1 397285703 JUCOUQNPDNOIPV-NVXWUHKLSA-N 264.457 4.511 30 10 CJEE O=C(C1=CCCCCC1)c1csc2c1CCCC2 399811667 MNWBLHLOECEIPG-UHFFFAOYSA-N 260.402 4.700 30 10 CJEE CCCCCCC[C@@H](NC)[C@@H](C)CC(F)(F)F 402915394 GLECDRBUDCGPCC-NWDGAFQWSA-N 253.352 4.523 30 10 CJEE C=CCCCN[C@H](C)c1csc(-c2ccccc2F)n1 462804894 QZJSQIBAHBFDKG-GFCCVEGCSA-N 290.407 4.566 30 10 CJEE C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cccc1C(C)C 486783094 WRBMUJKKJLLABE-OAHLLOKOSA-N 286.419 4.691 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CC2(CCC2)C[C@@H]1C 505017440 VXWAIYNVIUGJAI-HNNXBMFYSA-N 298.430 4.602 30 10 CJEE C#CCCCCCOc1ccccc1-c1ccccc1 686685648 KVKJRHPGCRZXCO-UHFFFAOYSA-N 264.368 4.926 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)c(F)c1 686693767 WYCIFPZBVSTQBL-SFHVURJKSA-N 275.411 4.759 30 10 CJEE C#CCCCCCC(=O)C(CC)(CC)c1ccccc1 686695151 UYYAUYKOZYVNIO-UHFFFAOYSA-N 270.416 4.897 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(F)c(Cl)cc1N 692252862 OZPOPAONEFGDJQ-QMTHXVAHSA-N 282.790 4.608 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C)c1 692271814 KMIQOKCWAUFOOF-LZLYRXPVSA-N 257.421 4.781 30 10 CJEE CCCCCCCCCc1ccsc1C(=O)O 692924456 XYZCOEYLQXRWBD-UHFFFAOYSA-N 254.395 4.739 30 10 CJEE CCCCCCC[C@H](CC1C[C@H]2C[C@@H]2C1)NCC 698111358 ZREXSWFQJBUFJK-YESZJQIVSA-N 251.458 4.761 30 10 CJEE CCCCC[C@@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698814799 IHMNBSOKLIMEHG-KRWDZBQOSA-N 296.455 4.742 30 10 CJEE C=CC(C)(C)CCn1c(C)cc2c1CC(C)(C)CC2=O 701907785 ISHIXDKYPUESHG-UHFFFAOYSA-N 273.420 4.554 30 10 CJEE CCCC(CS)(CCC)CN(C)[C@@H]1CCCC12CC2 706257183 FMWMAWIQHOMURA-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](C)NCC 707982081 WPFBEAYUBAJYLG-INIZCTEOSA-N 269.473 4.865 30 10 CJEE C[C@@H]1C[C@H](NC[C@H](C#N)C2CCCCC2)CC(C)(C)C1 708266730 JIFFCKGABCSPLI-PVAVHDDUSA-N 276.468 4.511 30 10 CJEE CCCCCCCCC[C@@]1(F)C[C@H]2CC[C@@H](N2)[C@@H]1C 709335408 ULHRJVVGMBYORK-YLFCFFPRSA-N 269.448 4.996 30 10 CJEE C=CC[C@H](C)[C@H](N)c1c(Cl)cccc1C(F)(F)F 715724288 UYECXLCKMGRGIF-UFBFGSQYSA-N 277.717 4.571 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H]([S@@](=O)CC(C)(C)C)C1 718860254 OPXYEMOOYKVCRG-RTEYEHBSSA-N 297.508 4.526 30 10 CJEE CCCCCCC[C@@H](C[C@H](COC)C(C)C)NCC 721723593 GPSUFEJBZUGHDM-SJORKVTESA-N 271.489 4.634 30 10 CJEE C=C1CCC(C[C@H](Cc2cccc(C)c2)NCC)CC1 724553478 JJDJYGWZTQTWPV-LJQANCHMSA-N 271.448 4.652 30 10 CJEE C=CC[C@H](N[C@@H]1CC[C@H](C)c2ccsc21)c1ccncc1 834588656 DLOUUEHVOKEUQK-RRQGHBQHSA-N 298.455 4.989 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(-c2cccs2)c1 1125611738 CXLHTGYXGTVSHW-UHFFFAOYSA-N 285.412 4.956 30 10 CJEE C=C(C)CCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C 1127577959 RWNWZTZEPUBVIW-AWEZNQCLSA-N 271.404 4.662 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCC(C)(C)C2)CCCCC1 1128063957 NKRGTPAVZOLUBY-OAHLLOKOSA-N 277.452 4.598 30 10 CJEE C=CCCCC(=O)Oc1cccc(C2CCCC2)c1 1130487802 XYDYSTQFAODOQF-UHFFFAOYSA-N 258.361 4.606 30 10 CJEE C=CCC[C@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 1134728896 ULJZBUBVUVELKQ-SFHVURJKSA-N 283.415 4.525 30 10 CJEE C=C(C)c1cccc(NC(=O)c2sc(C)cc2C)c1 1134838272 TURGRUIVWJGJQA-UHFFFAOYSA-N 271.385 4.650 30 10 CJEE C[C@@H]1CCCC[C@@H]1CSc1cccc(F)c1C#N 1166246471 HPEYMCDCDWCZKF-VXGBXAGGSA-N 263.381 4.616 30 10 CJEE C=CC[C@@H](C)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 1170217400 QDBUCLWCSKTQFW-ABAIWWIYSA-N 299.336 4.591 30 10 CJEE C=CCCCCCN(C)CCOc1ccc(F)c(Cl)c1 1191144008 IGAFRCGSYFNNSB-UHFFFAOYSA-N 299.817 4.536 30 10 CJEE C=CCCC1(CNCc2ccccc2Cl)CCCC1 1203113873 UUHVEUXRMDIOSF-UHFFFAOYSA-N 277.839 4.956 30 10 CJEE C#Cc1ccc(CN(CCCC)Cc2ccccc2F)cc1 1204533664 JOIMKHLKMKVADL-UHFFFAOYSA-N 295.401 4.609 30 10 CJEE C=CCC1(CN[C@@H](C)CCCC(F)(F)F)CCCC1 1205789704 ROPQWIGNKFPUHL-ZDUSSCGKSA-N 277.374 4.834 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@@H]1CCCC1(F)F 1207302952 WSDKXXOBTBDWGF-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CC(C)(C)NC(=O)Nc1cc(-c2ccc(C)o2)ccc1C 1217371767 MTOFIMMKFKKBIZ-UHFFFAOYSA-N 298.386 4.650 30 10 CJEE C#CCCCC(=O)N[C@@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1264266094 QQCVVXPZYCDPRY-OXJNMPFZSA-N 299.458 4.817 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](CCC)C(C)C)CCCC1(C)C 1270801000 IPJLQOLVTIFXMC-JKSUJKDBSA-N 279.468 4.652 30 10 CJEE C=CCN(CC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 1307470009 IYGXDWYDWUHUFA-MRXNPFEDSA-N 282.431 4.688 30 10 CJEE C#C[C@H](N[C@@H]1C[C@@H](C)C[C@@H](C)C1)c1ccc(Cl)cc1F 1462221988 WSHRMRZISHXJNY-RKCSVJPLSA-N 293.813 4.568 30 10 CJEE CCCCCCCCN1CCC[C@H](OCCC)CC1 1473158765 PMYZTVUJNQPTBJ-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CCC[C@H](C)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 1474387677 QHTHKCQPZBSAAL-HOTGVXAUSA-N 287.451 4.535 30 10 CJEE C=CCC[C@@H](C)Nc1cccc2c1OC(C)(C)C=C2 1474650466 QAAKZPBAIGWHKT-CYBMUJFWSA-N 257.377 4.637 30 10 CJEE C=C1CCC(CNC(=O)Nc2cccc(C)c2Cl)CC1 1476209750 CFBBAMIZJWPFDW-UHFFFAOYSA-N 292.810 4.516 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1c(Cl)ccc(C)c1C 1476550072 CPCLIXZXZZWJKK-UHFFFAOYSA-N 294.826 4.823 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C 1536597323 CAPRVSFEDFUPSQ-SYNHAJSKSA-N 299.458 4.665 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1CC 1539613311 XZDVGXVHTBWTEO-NVXWUHKLSA-N 285.431 4.960 30 10 CJEE C=C(Br)CN(C)C[C@@H](CC)CCCCCC 1560024047 VRNUMKOHUCKOFQ-AWEZNQCLSA-N 290.289 4.823 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccsc1C(F)F 1586146048 SMJYMGLXDZRAEC-ZYHUDNBSSA-N 299.386 4.550 30 10 CJEE C=CCCCC(=O)O[C@H]1CCCc2ccc(Cl)cc21 1587477285 UEVYHXIJNOJWAF-HNNXBMFYSA-N 278.779 4.617 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H]1CCCc2ccc(Cl)cc21 1595969126 COMONVWGDTUXGN-OAHLLOKOSA-N 292.806 4.863 30 10 CJEE C=CCC1(C(=O)N(C)CCC2CCCCC2)CCCCC1 1610361379 OFLQDZYHANQWPU-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE FC(F)(F)c1ccccc1C#Cc1ccccc1Cl 1614730504 BYRDYRZJVNEDLS-UHFFFAOYSA-N 280.676 4.759 30 10 CJEE CCCCOc1ccc(C#Cc2ccc(C)c(C)c2)cc1 1614825767 NKYWMWKJFHUZAF-UHFFFAOYSA-N 278.395 4.882 30 10 CJEE C=CCCCCCN[C@@H](C)c1cccc(N2CCCC2)c1 1616661740 IDFLJLILPADLQN-KRWDZBQOSA-N 286.463 4.684 30 10 CJEE C=CCCC1(CNCc2ccc(C)c(C)c2)CCCC1 1621004063 HMHYXHIPFREDHU-UHFFFAOYSA-N 271.448 4.920 30 10 CJEE C=CCC[C@@H](CCC)Nc1ccc(C2CC2)c(C#N)c1 1653019813 XCHBYELEVRUJHI-MRXNPFEDSA-N 268.404 4.982 30 10 CJEE C=CCCCCCN[C@H](c1ccc(C)cc1)c1ccccn1 1653501290 YBKZAXZRTAZMPC-HXUWFJFHSA-N 294.442 4.815 30 10 CJEE C#CCCCCCCN1CCC[C@@H](C2CCCCC2)C1 1654338053 ICOFBKOSHQDKMU-LJQANCHMSA-N 275.480 4.862 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(C)cc(Br)c1 1655985280 CALCATUOISYJQY-CYBMUJFWSA-N 296.252 4.592 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2ccc(C3CC3)c(C#N)c2)C1 1656852344 RRJPHWHJZOFOQM-BBRMVZONSA-N 266.388 4.592 30 10 CJEE C=CCCC(C)(C)CN[C@H](C)c1nccc2ccccc12 1658696832 GJRAGCHBQVOCLG-OAHLLOKOSA-N 282.431 4.878 30 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C=CCCCCCC[S@@](=N)(=O)c1ccc(F)cc1F 2141923940 QDGKILWSTIVVMR-LJQANCHMSA-N 287.375 4.507 30 10 CJEE C=C(COCCC)[C@@H](CC[C@H](C)CCCC)NCC 2142148632 GJOQXGXCOOXUFP-NVXWUHKLSA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCCN1C[C@@](C)(CC)CC1=O 2142394269 PCVIJEOJFBVJON-KRWDZBQOSA-N 265.441 4.552 30 10 CJEE C=CCCCCCCCCOCCNCC(C)(C)C 2142427948 NQGZSIARWLXGSU-UHFFFAOYSA-N 269.473 4.555 30 10 CJEE C=CCCCCCCCCCO[C@H]1CCCC[C@@H]1O 2142433495 WQGDGURXCKXGHY-IRXDYDNUSA-N 268.441 4.613 30 10 CJEE CC[C@@H]1CCC[C@H]1N=C1N[C@H](C2CCCCC2)CCS1 2143553487 PCMBLRLSDDGBGI-BMFZPTHFSA-N 294.508 4.597 30 10 CJEE CCCCCCCCCCN[C@@H](C)C1CCC(N)CC1 2144541995 JLSUIIXYSPWYLM-AOCRQIFASA-N 282.516 4.623 30 10 CJEE CSc1cccc(N[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)c1C#N 2146286140 UWWTUCCEWRQNMN-MKBNYLNASA-N 286.444 4.517 30 10 CJEE C=C1CCC(C[C@H](NC)c2ccc(C(F)(F)F)o2)CC1 2146677049 YMXXKHKLCPUVMW-LBPRGKRZSA-N 287.325 4.695 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@]1(O)C=CCCC1 2148587311 CFPBZHFGPCQMID-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE 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2293900908 JJDMWLUVGKSBBA-SFHVURJKSA-N 281.484 4.827 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc2cc(Cl)ccc2n1 2294968004 QPVDTBNPIGKNIT-MRXNPFEDSA-N 288.822 4.895 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](C=C(C)C)NCC 2295679488 PTEUYSWSBJREEF-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE CC=CCCC[C@H](N)[C@@](C)(O)CCCCCCCCC 2295680802 AMILKCVUSDVBTR-ROUUACIJSA-N 283.500 4.952 30 10 CJEE C#CCOCCCCCCCCCCCN[C@@H](C)CC 2296262819 ZKCZUGULWZAWIW-SFHVURJKSA-N 281.484 4.535 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)c([N+](=O)[O-])cc1C 2298889152 RFHTYCONPGQPTE-VIFPVBQESA-N 271.769 4.613 30 10 CJEE Cc1c(CCCCC[C@@H]2CO2)ccc(Cl)c1Cl 2301009107 IWBWCFMGMVQZSD-GFCCVEGCSA-N 273.203 4.804 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(Cl)c(Cl)c1 2301055832 RQTVXAFLNJCDNR-AWEZNQCLSA-N 270.203 4.762 30 10 CJEE C=CCC(CC=C)SCCCC[C@H](C)NCCC 2313650833 JMEUGMVYSWOXNE-HNNXBMFYSA-N 269.498 4.799 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)C(C)(C)CCC 2316740638 DMPRSCQLHXGIMG-INIZCTEOSA-N 251.458 4.949 30 10 CJEE C=CCN(CC=C)CCCc1cc(Cl)cc(Cl)c1 2318612668 VGJFYBJCPKQSNW-UHFFFAOYSA-N 284.230 4.600 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1cc(Cl)ccc1Cl 2321094853 CQZLOIVWOZCHGE-LSDHHAIUSA-N 286.246 4.856 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@H]1CC[C@@H]1C(C)(C)C 2321225924 ZUVUXPPYIALEJM-DLTWYDFYSA-N 252.442 4.802 30 10 CJEE CC(C)(C)[C@@](C)(CS)CO[C@@H]1CCCC12CCC2 2327116489 UIKKSTZQMVVALR-UKRRQHHQSA-N 270.482 4.708 30 10 CJEE C=CCCCCCC(=O)c1ccc(F)cc1SC 2328545041 SMZZCFUOPFSQCX-UHFFFAOYSA-N 266.381 4.867 30 10 CJEE CCC(=NOCc1ccc(C)cc1)c1ccc(C)cc1 2330246145 GGIJNFRAQDPSOR-UHFFFAOYSA-N 267.372 4.634 30 10 CJEE Cc1c(C[C@@]2(C#N)CCOC2(C)C)ccc(Cl)c1Cl 2338667827 UXPHQBFDTYZAGY-OAHLLOKOSA-N 298.213 4.553 30 10 CJEE C=CCC(CC=C)C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1 2338668299 WDEXRBNLRFDKDJ-JOCQHMNTSA-N 274.326 4.693 30 10 CJEE C=C(C)CCCC[C@@](C)(N)c1ccc(F)c(C)c1C 2340957970 YQEYPBJPVURRSR-QGZVFWFLSA-N 263.400 4.753 30 10 CJEE CCCCCC#CCC(=O)c1ccc(C)cc1SC 2342326900 VDFNEYKUTMTJHI-UHFFFAOYSA-N 274.429 4.873 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1[C@@H](C)C1(F)F)NCCC 2344336105 GLTQEQKPBKHZAE-TUVASFSCSA-N 273.411 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@]12CCC[C@@H]1CC2)NCC 2344337974 VWVMIYGNVIRYRO-BDXSIMOUSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](C)S[C@@](C)(C(=O)O)C1CCC(CC)CC1 2352220189 DPXQCIBCLZQWSJ-WLIAPVHPSA-N 284.465 4.744 30 10 CJEE CCCC[C@](C#N)(CC)CC1CC2(C1)CC(OC)C2 2353629770 QPDLCILSBNJKPM-ONNPGMOUSA-N 263.425 4.692 30 10 CJEE N#C[C@]1(C[C@H]2CC[C@@H]3C[C@@H]3C2)CCCc2ccccc21 2354853902 KDTBONSOKWVDOJ-LKCYJCQHSA-N 265.400 4.611 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](N)[C@@H](C)CC1CCC1 2360323903 LUNXAYZDUARFDG-RYQLBKOJSA-N 283.500 4.642 30 10 CJEE Fc1cccc(Cl)c1/C=N/Nc1cccc(Cl)c1 3909595 ZAUGBOYVNHGFFG-CAOOACKPSA-N 283.133 4.579 30 10 CJEE CC1(C)CC[C@H](Nc2cccc(C#N)c2)c2ccccc21 20525606 USFOMORADGFFOC-SFHVURJKSA-N 276.383 4.783 30 10 CJEE C[C@H](Nc1ccc(Cl)cc1F)c1ccc(C#N)cc1 37056531 ZBMLPCSHDSUPIZ-JTQLQIEISA-N 274.726 4.524 30 10 CJEE N#CC1(N2CCCC2)CCCCCCCCCCC1 37355469 BPRIWWAXRVHKEC-UHFFFAOYSA-N 262.441 4.649 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)c(C(F)(F)F)c2)o1 49223684 JYPAQSNSTLHHNV-JTQLQIEISA-N 294.276 4.652 30 10 CJEE CCc1ccc(OC)c(C[C@H](C#N)c2cccc(Cl)c2)c1 57761590 RYDJUVHBJJHZLJ-MRXNPFEDSA-N 299.801 4.761 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](CN(C)C)c1ccccc1 59090188 QWUDZAPQGSZRGJ-HKUYNNGSSA-N 290.495 4.628 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1C(=O)OC 59207938 IETSVHTYRFMCJO-CQSZACIVSA-N 277.408 4.634 30 10 CJEE CC(C)(C)c1ccc(-c2cc(C#N)c3c(c2)CCCN3)cc1 76189631 MRNZCQCUTVUNLO-UHFFFAOYSA-N 290.410 4.881 30 10 CJEE N#C[C@]1(Cc2c(F)cccc2Cl)CCc2ccccc2C1 87998191 YFEFLLVGWRYNMW-GOSISDBHSA-N 299.776 4.720 30 10 CJEE CCC(CC)(CS)COc1ccc(F)c(Cl)c1 94585386 SUTLJTCBHLIEAW-UHFFFAOYSA-N 276.804 4.594 30 10 CJEE CCCCCCCCCOc1ccc(CCNC)cc1 106150123 NRVWHFZMNHRMKZ-UHFFFAOYSA-N 277.452 4.578 30 10 CJEE CCCCCCCn1cc(C=O)c2cc(OCC)ccc21 106586533 RFISFXCAKWQKET-UHFFFAOYSA-N 287.403 4.823 30 10 CJEE CC#C[C@H](C)[C@H](C)c1cc(Cl)ccc1OCC 107582303 RDVGQKFDWSOVSX-RYUDHWBXSA-N 250.769 4.502 30 10 CJEE CCCCCCCOC1(CNC(C)C)CCC(C)CC1 110067688 SUOJIMHESGPLOP-UHFFFAOYSA-N 283.500 4.920 30 10 CJEE CCCCCCCCO[C@@H]1C[C@H](CC)CC[C@@H]1NC 110084083 WLHUJGHSEKPHRL-IXDOHACOSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCC[C@@H](N)CSC(C)C 114862770 IZIWPPIEIBUUBO-OAHLLOKOSA-N 259.503 4.986 30 10 CJEE CCCCCCC[C@@H](O)C1(C#N)CCC(CC)CC1 118274088 IAMZQXMZLFKEQM-AQFXKWCLSA-N 265.441 4.818 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc(Br)o1 123508954 IWCLUFQQYXBEHA-LLVKDONJSA-N 288.229 4.793 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)cc1 125345502 AWYDNXUJEMAZLB-QGZVFWFLSA-N 262.441 4.640 30 10 CJEE CCCCCCCCCCNc1ncncc1Cl 126658557 XBFNEPUXPDZXKT-UHFFFAOYSA-N 269.820 4.683 30 10 CJEE CCCCCCCCCCCC[C@@H](N)[C@H](C)OC 129145154 HGTHNVFEHRIEJP-JKSUJKDBSA-N 257.462 4.660 30 10 CJEE N#Cc1c(F)cccc1NC1CCC2(CCCC2)CC1 129259655 YEDKLGJEKWYDLN-UHFFFAOYSA-N 272.367 4.612 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCOC1)NCC 130369801 JMSFBCFIDXJZGG-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCN=[S@](C)(=O)c1ccccc1 139751503 GATCEVLKMURODE-GOSISDBHSA-N 267.438 4.504 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1OCCc2ccccc21 140271499 IRHUOONUDOFSMA-OALUTQOASA-N 289.463 4.639 30 10 CJEE CCCCCCCC[C@H](N)CC1CCSCC1 140332234 JOSGMTCGIZCOAV-HNNXBMFYSA-N 257.487 4.598 30 10 CJEE CCCc1c(-c2cc(C)cc(Cl)c2)sc(C#N)c1N 157718646 ACPPHVZMWKSVSR-UHFFFAOYSA-N 290.819 4.783 30 10 CJEE CC(C)CC(C#N)(CC(C)C)NC1CCCCCC1 165905362 PABHWYYPYVBYJW-UHFFFAOYSA-N 264.457 4.653 30 10 CJEE CCCCCCCCC[C@@H](NCC)c1nccn1CC 166178744 NURDNIIORNNRRY-MRXNPFEDSA-N 279.472 4.694 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cccc(F)c2Cl)C1 166806213 RVHVAWSGJHISIU-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE Cc1ccc([C@@H](NCCCCC#N)c2ccccc2)c(C)c1 180429327 JPLFZGPYCCBNGS-FQEVSTJZSA-N 292.426 4.676 30 10 CJEE CCCCCCCCOc1ccc(N)c(OC(C)C)c1 213539821 JTLKYNRPTHBRJI-UHFFFAOYSA-N 279.424 4.795 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@H]1OCC[C@@H]1C 228815625 PWVUDASRZHLSLA-BZSNNMDCSA-N 298.515 4.554 30 10 CJEE CCCCCCCC[C@@H](N)c1cccc2ncccc12 228904662 HCKCPTSPBBYDGC-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE CCCCCCCCCCCC(=O)c1nccnc1OC 229492466 BGGBXHFJAIZZHU-UHFFFAOYSA-N 292.423 4.589 30 10 CJEE C=C(CC)C[C@@H](NCC)c1csc2ccccc12 229758386 VLLZTFMWUFQEGR-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE CCCCCCCCCCCC[C@@](CN)(CO)C(C)C 232950775 OWPMONFDGZTUGN-GOSISDBHSA-N 285.516 4.891 30 10 CJEE CCCCCCCCC[C@H](CN)N(C)Cc1cccs1 232971829 QALPDPNSXRTJOY-MRXNPFEDSA-N 296.524 4.648 30 10 CJEE CCCCCCCCN1C[C@@H](CC(C)C)NC[C@]1(C)CC 250824636 MURPFURJFILTPA-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCN1C[C@H](C(C)C)NC[C@]1(C)CC 250844814 ZQAFTILREZFGBJ-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE Cc1cc(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1C#N 250953104 IXDVOWYTOZQAAQ-DOPJRALCSA-N 271.404 4.706 30 10 CJEE C[C@H](CC#N)c1ccc2c(ccn2C2CCCC2)c1 260215908 ZOPZEZNRCXUHEC-CYBMUJFWSA-N 252.361 4.774 30 10 CJEE CC(C)(C)C#CC[C@@H](O)c1cc(Cl)sc1Cl 300773147 PZTOIDITOBKCRL-SECBINFHSA-N 277.216 4.528 30 10 CJEE CC(C)(C)[C@@H](CS)COCC1CCCCCC1 302329544 HWSHFGFDMYZIIB-CQSZACIVSA-N 258.471 4.566 30 10 CJEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(F)c(Cl)c1 306618365 SBWYEQYQBPRCTR-KTKRTIGZSA-N 296.578 4.514 30 10 CJEE C=C([C@@H](NCC)[C@H](CCC)CC(C)C)C(F)(F)F 308062576 VTQAXSDVLTYTLO-CHWSQXEVSA-N 265.363 4.545 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(C)Cc2ccccc2)C1 309643641 PMBTUNVMNZBJJY-OTWHNJEPSA-N 298.474 4.863 30 10 CJEE CCCCCCCCCCNc1c(N)cccc1F 311718663 UFNRUSYPXTYDSB-UHFFFAOYSA-N 266.404 4.961 30 10 CJEE CCCCCCCCCC(=O)C[C@@H]1CCCC[C@@H]1N 311835184 PQPCPFPCDDCYKY-RDJZCZTQSA-N 267.457 4.604 30 10 CJEE Cc1cc([C@]2(C#N)CCC[C@@H](C)C2)c2ccccc2n1 312331953 ZSIXBZALCFHXDO-FZKQIMNGSA-N 264.372 4.515 30 10 CJEE C[C@@H]1CC(=O)C=C(c2ccc(-c3ccccc3)cc2)C1 312690627 FDFYHPBSDCURDD-AWEZNQCLSA-N 262.352 4.736 30 10 CJEE CCCCCCCCC[C@@H]1CC[C@@H](CNCC(C)C)O1 312698849 PAQBZILCDMFORV-MSOLQXFVSA-N 283.500 4.920 30 10 CJEE CCCCCCCC(=O)[C@@H]1CCC2(CCCCC2)C1=O 313009200 OAKYKDYCCBGJRQ-HNNXBMFYSA-N 278.436 4.846 30 10 CJEE CCCC1CCC(C=O)([C@@H]2C[C@H](OCC)C2(C)C)CC1 317276296 SJRINCGNCLDREG-NDUQDZPOSA-N 280.452 4.613 30 10 CJEE CCCCCCC[C@]1(CNCCOC)CC[C@H](CC)C1 318287234 JDXCCHWCCMQHEV-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CCCCCCCC(=O)c1coc(Br)c1 378953105 RKSFCAMENMPLCW-UHFFFAOYSA-N 273.170 4.585 30 10 CJEE CCCCCCC[C@H](N)C[C@@H]1CCCC(F)(F)C1 380009618 GKRORTGQXAUBCH-KBPBESRZSA-N 261.400 4.890 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H]1CC2CCC1CC2 382524912 XLGGRGLXWVTEOD-OPQOLIRYSA-N 263.469 4.927 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@H]1Cc2ccccc2S1 387142655 IZMXDXZMVOFGKA-RDJZCZTQSA-N 289.488 4.531 30 10 CJEE CCc1csc(C2(C#N)CCC(C(C)(C)C)CC2)n1 387977013 FDAJZXMLUPWYJR-UHFFFAOYSA-N 276.449 4.703 30 10 CJEE C=CC[C@H](CC)NC(c1cccs1)c1cccs1 393765239 GNEYZWSGJMTCSI-LBPRGKRZSA-N 277.458 4.843 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2cc(Cl)ccc21 393831737 DAZQZIMNLUNUEL-JTQLQIEISA-N 266.797 4.506 30 10 CJEE C=C(COCCC)[C@@H](CCC1CCCCC1)NCCC 395635977 HIXCGOJNOOCJSC-GOSISDBHSA-N 281.484 4.698 30 10 CJEE CCCCCCCCCCC(=O)CCN1CCCC1 395951854 TXQOBTAVLVPEGK-UHFFFAOYSA-N 267.457 4.572 30 10 CJEE CC(C)c1ccc([C@H](C#N)C(=O)[C@@H](C)C(C)(C)C)cc1 399154443 INCNCWPNBFVBPJ-CJNGLKHVSA-N 271.404 4.668 30 10 CJEE C=C(CC)C[C@H](NCCC)c1csc(C)c1C 399775454 OGQUCWIBJJCSPY-HNNXBMFYSA-N 251.439 4.762 30 10 CJEE C=C(C)CCNc1ccc(OC(F)(F)F)c(Cl)c1 401312350 WHIYCNFHJBAVTK-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE N#C[C@@]1(C[C@H]2CC=CCC2)CCCc2ccccc21 402135862 IXLBPZBQQYKVOU-YJBOKZPZSA-N 251.373 4.531 30 10 CJEE C[C@](C=O)(CCCCc1ccccc1)c1ccccc1 405739726 ZODXYXCSULZHQR-LJQANCHMSA-N 266.384 4.556 30 10 CJEE CCC(C)(C)[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688315241 KTKNZKORKUJMOC-CYBMUJFWSA-N 265.441 4.530 30 10 CJEE C[C@@]12CC3CC(CC(=O)/C=C/Cl)(C1)C[C@](C)(C3)C2 693498543 RGONSIHCYOKFAA-IIXWPKBOSA-N 266.812 4.695 30 10 CJEE C[C@H](CCC#N)Nc1cc(Cl)c(Cl)c(Cl)c1 695844752 YSKPLWGYNQRZSH-SSDOTTSWSA-N 277.582 4.751 30 10 CJEE CCCCCCCCC[C@H](O)[C@H](C)CCC[C@@H](C)N 696064496 LAWOWIHOZCXXJU-ZACQAIPSSA-N 271.489 4.642 30 10 CJEE 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C=CCC[C@@H](Nc1ccc2c(c1)CCCO2)c1ccco1 796917679 LSBSUWJRGAOCSX-MRXNPFEDSA-N 283.371 4.724 30 10 CJEE CC(=NNc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1 863065591 ZNVHNPYFXILAEA-UHFFFAOYSA-N 292.251 4.539 30 10 CJEE C=CCCCN(C)C1c2ccccc2-c2ccccc21 1167967793 LEYQNNINALUWNS-UHFFFAOYSA-N 263.384 4.654 30 10 CJEE C=C(C)CN(CC[C@H]1CCCC1(F)F)Cc1ccccc1 1169952349 FRMOMYYRDFIADU-QGZVFWFLSA-N 293.401 4.890 30 10 CJEE C=CCCCCN(Cc1ccccc1Cl)CC1CC1 1170193642 IMTFTROSSLONER-UHFFFAOYSA-N 277.839 4.908 30 10 CJEE C=CCC1(CNCc2ccccc2OC(F)F)CCCC1 1178709868 MQVSISWMPKRMMD-UHFFFAOYSA-N 295.373 4.514 30 10 CJEE C=CC(C)(C)CNCc1cccc(-c2ccccc2C)c1 1178737036 LVXPTQFXYKOGAW-UHFFFAOYSA-N 279.427 4.964 30 10 CJEE C=CCC[C@H](CC)N[C@H](C)c1cc2ccccc2o1 1180925768 AFQSPZJLDYFXQW-HIFRSBDPSA-N 257.377 4.828 30 10 CJEE C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 1182327419 TUZSKIPPPDFNHS-UKBAYJJMSA-N 271.448 4.588 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CC)c2cc(F)ccc2OC)C1 1183898412 QGNHEFPCBCMQPQ-KMFMINBZSA-N 291.410 4.620 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C=C1CC(N[C@H](C)c2ccc(-c3ccccc3)cc2)C1 2157405136 YWWMNJAXKRTTCL-OAHLLOKOSA-N 263.384 4.723 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@H](OC)C1CCCCC1 2158319935 HOXQJRNRIJGSCA-CGTJXYLNSA-N 281.484 4.552 30 10 CJEE CSc1cccc(N[C@@H](C)C2CCC(C)CC2)c1C#N 2158441144 RFPHZEQAMFKQCL-MOKVOYLWSA-N 288.460 4.907 30 10 CJEE CC(C)[C@@H]1CCC[C@@H](N=C2N[C@](C)(C(C)C)CS2)CC1 2159432162 VKFARYDJDFUSBA-INMHGKMJSA-N 296.524 4.698 30 10 CJEE CCCCCCCCCOc1cccc(F)c1CNC 2160785335 ZXAMFMJRDSZYNS-UHFFFAOYSA-N 281.415 4.675 30 10 CJEE CCCCCCCC[C@@H](NC)c1nc(C(C)(C)C)ns1 2163446953 MNWIIHVMEXJDBN-CYBMUJFWSA-N 297.512 4.847 30 10 CJEE C=CCC[C@@H](C)[C@H](NC)c1ccc(C(F)(F)F)cc1F 2164152043 BQNVALSFMRXBSM-YGRLFVJLSA-N 289.316 4.707 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1C(C)=CCC[C@@H]1C 2164265916 WXZABFYOCQCJDQ-KSZLIROESA-N 275.480 4.787 30 10 CJEE CCCCCCCCC[C@H](O)C1(C(=O)O)CCCCC1 2164807804 TUAHRUJBLINJAY-HNNXBMFYSA-N 284.440 4.523 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)[C@@H](C)C1CCCC1 2168431530 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4.621 30 10 CJEE C=C(c1ccccc1)[C@@H](NC)c1cc(F)c(Cl)cc1F 2197151796 PTZUCEMCDVNHGB-MRXNPFEDSA-N 293.744 4.592 30 10 CJEE CCc1ccccc1[C@H](C)Nc1ccc(C#N)c(Cl)c1 2201192177 NTAMOEAGYWNZKN-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)cc3CC)C[C@@H](C1)C2 2201695215 BDQYXDHCTHDRCC-VMZNBEPHSA-N 273.395 4.935 30 10 CJEE C=CCC[C@@]1(C)C[C@H](NCCC)c2ccc(Cl)cc2O1 2203354573 SERUMEXOKNJCRN-RDJZCZTQSA-N 293.838 4.888 30 10 CJEE C=C1C[C@H]2CC(N[C@H](C(F)F)C3CCCC3)C[C@@H](C1)C2 2204082082 NVUXLWFCPAORCQ-AMFJVREVSA-N 283.406 4.535 30 10 CJEE CCCCCCC[C@@](C)(O)c1c(OC)ccc(F)c1F 2204402848 UDBJTBATVUKYIL-MRXNPFEDSA-N 286.362 4.541 30 10 CJEE CC1(C)C[C@H](n2c(=S)[nH]c3c(C#N)cccc32)C1(C)C 2205132457 KGRCSOUPHKSZQO-LBPRGKRZSA-N 285.416 4.568 30 10 CJEE C=CCCCCCCCCN1CCC[C@@H]1COC(C)C 2207377179 MBTTZHCOABDDDA-GOSISDBHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCC[C@@H](O)c1cc(N)cc(F)c1 2207410198 QCBIUFVOFRGAJM-QGZVFWFLSA-N 279.399 4.748 30 10 CJEE C=CCCCCCCCCNC1([C@H]2CCCO2)CCC1 2207437161 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2235526084 HJFGXGWHZFNINJ-SQNIBIBYSA-N 280.452 4.613 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@H](OC)C1CC1 2235537209 AOKTXAFADHVTDU-ZWKOTPCHSA-N 281.484 4.696 30 10 CJEE CCC1CCC(C#N)([C@H](O)c2sc(C)c(C)c2C)CC1 2236832051 BQOHNWQJFDPAMX-ARWYELJZSA-N 291.460 4.817 30 10 CJEE CCCCCCCCC[C@H](N)c1cccc2c1CCO2 2238063591 QJKAQBJJXOYYQJ-KRWDZBQOSA-N 275.436 4.762 30 10 CJEE CCCCCCCCCCN1CC[C@H](OC(F)(F)F)C1 2238807552 CBXWOQMGTHVGBP-AWEZNQCLSA-N 295.389 4.738 30 10 CJEE CCCCCCCCCOc1ccc([C@H](O)CC)cn1 2239445446 HRRZYMOQNIZOSE-MRXNPFEDSA-N 279.424 4.654 30 10 CJEE CCCCCCCCCCCOC[C@H](C(=O)O)C(C)C 2239547965 IEYKWNDQJGHKJC-INIZCTEOSA-N 286.456 4.891 30 10 CJEE CCCc1ccc(C#C[C@H](O)C(CC)(CC)CC)cc1 2239646060 JYEOSQMOCQTOMS-SFHVURJKSA-N 272.432 4.568 30 10 CJEE CCCCCCCC[C@](C)(CN)N1C[C@@H](C)CC[C@H]1C 2240556766 RIXROHIREBMGQE-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](C)N(CCC)C[C@@H]1CCCN1 2240574700 RNUBYFCGMWRNIC-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C=C(C)CCCCC(=O)c1ccc(F)c(Cl)c1 2250146186 RTQCVRAXKUYPDW-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=C(C)CCCC[C@H](O)c1cnc(Cl)c(Cl)c1 2250155364 YGJKAAXUGYFHCA-LBPRGKRZSA-N 274.191 4.558 30 10 CJEE CCCCCCCCOc1cc(Cl)sc1CO 2250679859 OCHDIOYNMKJEIH-UHFFFAOYSA-N 276.829 4.633 30 10 CJEE C#CCCCCCSC[C@@H](OC)C1CCCCC1 2256531534 HQKQHFOBHHDNKI-MRXNPFEDSA-N 268.466 4.509 30 10 CJEE CSc1cccc(SC[C@@H]2CC[C@@H](C)C2)c1C#N 2256669001 JDELVLIMXFGFSI-VXGBXAGGSA-N 277.458 4.808 30 10 CJEE C[C@@H]1C[C@](C=O)(CCCCC[C@H]2C[C@H]2C)CCS1 2257294597 WYVTUZIYVDCKQU-WCVJEAGWSA-N 268.466 4.694 30 10 CJEE C=CCCCSc1cc(C)sc1CNC1CCC1 2259058804 KJFULZYVYPHAAM-UHFFFAOYSA-N 281.490 4.757 30 10 CJEE C=C(C)CCCC[C@@H]1CC(C)(C)CC[C@@H]1CNC 2259192947 LPEMUJOTWJIWLF-HZPDHXFCSA-N 251.458 4.785 30 10 CJEE CC1(COCCCCCCCS)CC2(CCC2)C1 2263143568 DOVPWRXLTVWTBX-UHFFFAOYSA-N 270.482 4.854 30 10 CJEE C=C(F)C[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2263440954 SEWJEXYCOHGHPX-SECBINFHSA-N 281.318 4.681 30 10 CJEE C=CCCCCC[C@@H](O)[C@H]1CC[C@H](C(F)(F)F)CC1 2264917777 LQCJIFHKFZIEQR-MGPQQGTHSA-N 278.358 4.853 30 10 CJEE C[C@H]1CCC[C@H](CCC2(C=O)C[C@@H]3CC[C@H](C2)S3)C1 2265133526 TYLFLLXBGTWKHI-HCMIALLCSA-N 280.477 4.836 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cc(COC)cs1 2271791326 LUGRPQBGWSWZJF-OAHLLOKOSA-N 281.465 4.682 30 10 CJEE C=C(C)CCCC[C@]1(O)c2ccccc2CC1(C)C 2271835902 ZOISOYSRYOZLFT-SFHVURJKSA-N 258.405 4.593 30 10 CJEE C=C(C)CCCC[S@](=N)(=O)C[C@@H]1CCCCC1(F)F 2271838575 HPSSYBDPQPBTBZ-DJJJIMSYSA-N 293.423 4.605 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)C1(CCC)CCC1 2273978865 WDGRBUBSZPVVOM-KRWDZBQOSA-N 261.453 4.519 30 10 CJEE C=CCC[C@H](C)[C@](CC)(C[C@@H](C)CC)OCCCN 2276369935 HFBGWCUOLZQFPO-ULQDDVLXSA-N 269.473 4.539 30 10 CJEE C=CCC[C@@H](C)[C@](CC)(CCCCC)OCCCN 2276389892 IJELJCFPSKOPEZ-SJORKVTESA-N 269.473 4.683 30 10 CJEE C=CC1(C[C@H](OCCCN)c2sccc2Cl)CCC1 2276812015 FVIUSAGIFMGSGS-ZDUSSCGKSA-N 299.867 4.554 30 10 CJEE CCCCCCCCC[C@@](C)(CNC1CC1)OCC 2278128624 YZYLXKXBKWBOOM-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CC1(C)CC(C)C1 2279457113 KBFQBKOLRKIARC-VMWRSERWSA-N 282.468 4.883 30 10 CJEE CCCCCCCCCC(=O)C1(O)CC2(CC(C)C2)C1 2280047345 ZWWDZGZDYJRBEI-UHFFFAOYSA-N 280.452 4.637 30 10 CJEE CC(C)(C)C#CC=CCC(=O)Cc1c(F)cccc1Cl 2284071317 RCIBSXDOUXUNDV-UHFFFAOYSA-N 292.781 4.587 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)c1ccc(C)o1 2284101833 XTSYAHBOYCJXSY-MRXNPFEDSA-N 273.420 4.625 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc2c(s1)CCCC2 2284162245 MJPXRECUNNIQPC-HNNXBMFYSA-N 287.472 4.623 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1ccc(F)c(F)c1F 2287413991 MONQNTFDCDCEDQ-AWEZNQCLSA-N 285.353 4.891 30 10 CJEE C=C(C)CCCC[C@H](NCCC)C1C[C@@H](C)O[C@H](C)C1 2287467755 XOMSOKFKYHRILF-NUJGCVRESA-N 281.484 4.695 30 10 CJEE Cc1ccnc(C#N)c1NCC[C@@H](C)CCCC(C)C 2287932028 IPDZLGUELKXLKT-AWEZNQCLSA-N 273.424 4.526 30 10 CJEE CCCCCCCCC[C@H](O)CNCC1CCCCC1 2288117475 WGLSPNPEUPUIDE-SFHVURJKSA-N 283.500 4.658 30 10 CJEE CCCN[C@@H](C#CC1CCCC1)c1ccc(F)c(Cl)c1 2289697134 CUPLUUOCPUPZLR-KRWDZBQOSA-N 293.813 4.713 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1C 2289711673 LPTBFKPASLPMND-GOSISDBHSA-N 289.850 4.883 30 10 CJEE CCN[C@H](CC#CC1CCCC1)c1csc(C2CC2)c1 2289846208 YQOGTYNUUGZCFY-QGZVFWFLSA-N 287.472 4.860 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)C(C)(C)C1CCC1 2289876175 UXGYMRUBDYPHNC-GOSISDBHSA-N 275.480 4.765 30 10 CJEE CC[C@H]1CC[C@](CC#CC2CCCC2)(CNC2CC2)C1 2289899981 XGDRQXCREDADPJ-LPHOPBHVSA-N 273.464 4.519 30 10 CJEE CCCCCCCCC[C@H](CCCF)OCCC(=O)O 2291120693 QFAUSFUERPETQY-OAHLLOKOSA-N 290.419 4.737 30 10 CJEE C=C=CCC[C@H](CCCCCCCCC)OCC(=O)O 2291338723 GDQXICACXSPCSW-MRXNPFEDSA-N 282.424 4.718 30 10 CJEE C=CCCCCC[C@H](OCCC(=O)O)[C@H](CC)CCC 2291426913 TXFJEFWBYOBJKP-CVEARBPZSA-N 284.440 4.809 30 10 CJEE C=C(C)CC[C@](CC)(OCCC(=O)O)C1CCCCC1 2291442624 CLOYYOGETKQDAV-KRWDZBQOSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@H](OCC(=O)O)[C@H](CC)C(C)C 2291631914 CHEOINSKQJBDPD-CVEARBPZSA-N 286.456 4.889 30 10 CJEE C=CC[C@@](C)(CC[C@H](C)CCCC(C)C)OCC(=O)O 2291751718 HEBOLXPIFBHTRB-WBVHZDCISA-N 284.440 4.665 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)c1ccc(CC)s1 2291931666 KIXVLYPUDLOOEI-CQSZACIVSA-N 298.448 4.813 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1CCC[C@@H]1C 2293173615 ZUSREGCCQYCMKL-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCCCC[C@](C)(OCCN)c1cccc(Cl)c1 2293600960 PHDAMHXLHCOQGF-KRWDZBQOSA-N 297.870 4.891 30 10 CJEE CC(C)c1ccc([C@H](N)C#Cc2ccccc2Cl)cc1 2295201419 VDBZTRYGRRMLQZ-GOSISDBHSA-N 283.802 4.515 30 10 CJEE CCCCCCCCC[C@H](C)n1cc(C(=O)O)c(C)n1 2295600788 HDFUXVCHTBOCIY-ZDUSSCGKSA-N 280.412 4.591 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC[C@H](O)C1(C)C 2295680921 BOFVCIMQVODBDJ-ULQDDVLXSA-N 283.500 4.655 30 10 CJEE CCCCCCSCC[C@@H]1CCCC[C@@]1(C#N)NCC 2295710943 KQGUEHYUUWOGCF-IRXDYDNUSA-N 296.524 4.752 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C)cc1Cl 2304130163 WZYHWPGQTURYDH-HUUCEWRRSA-N 252.785 4.674 30 10 CJEE C=CCC(CC=C)SCCN[C@@H](C)CCCCC 2313693198 VCWORTVVLAZILR-HNNXBMFYSA-N 269.498 4.799 30 10 CJEE CCCCCCCCCC[C@H](F)[C@H]1NCC1(C)C 2314070901 FJHDSTFVNUCSRD-LSDHHAIUSA-N 257.437 4.853 30 10 CJEE C=CCC(CC=C)[C@@H]1CCCCCCCC[C@H]1O 2316676167 HWWGUDAWGCEXAW-DLBZAZTESA-N 250.426 4.866 30 10 CJEE C=CCC(CC=C)Nc1cc(OC)c(Cl)cc1Cl 2316685904 MRWUKKBQWVTLGZ-UHFFFAOYSA-N 286.202 4.935 30 10 CJEE C=CCCC[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2316689546 ANHOMLLFQWIGOA-CYBMUJFWSA-N 286.246 4.789 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cccc(Cl)c1C 2316738629 JMTGGQXPPBRNIG-MRXNPFEDSA-N 263.812 4.677 30 10 CJEE C=C(C)C[C@@H](C[C@@H]1C[C@@H](C)C[C@@H](C)C1)NCCC 2319293199 NITJMJJLXPMUKD-HZMVEIRTSA-N 251.458 4.783 30 10 CJEE CCCCCCCC(=O)c1csc(C(C)(C)F)n1 2319386461 UXAXNJBNAASEJA-UHFFFAOYSA-N 271.401 4.891 30 10 CJEE C=CC[C@H](C)[C@@H](CC(C)(C)C(F)(F)CC)NCC 2321133377 FWROSIZMSXNKJO-QWHCGFSZSA-N 261.400 4.638 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1cscc1C(F)F 2321135686 XISQTRGQGXCPRI-TZMCWYRMSA-N 273.392 4.939 30 10 CJEE N#CC1(c2c(Cl)cccc2Cl)CC2(C1)CC2(F)F 2326919105 IUYOEDOJMHMMRJ-UHFFFAOYSA-N 288.124 4.574 30 10 CJEE C[C@@H](OC[C@@](C)(CS)C(C)(C)C)C1CCCCC1 2327106580 NWZANRPZRNNGSW-CJNGLKHVSA-N 272.498 4.954 30 10 CJEE C=CCC(CC=C)N[C@@H](C)C1CCC(C(C)C)CC1 2335098600 LWKHOIFJYPXWKE-GTPINHCMSA-N 263.469 4.948 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCC2)CC[C@@H]1NCCC 2335188200 PCOPCIRZBKQEAJ-HRCADAONSA-N 281.509 4.775 30 10 CJEE CCCCCCCCCCC(=O)C#CC1(SC)CC1 2336273213 ARGUWHXTRVTMRR-UHFFFAOYSA-N 280.477 4.985 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCC2(CCCCC2)C1 2337080081 CJFXVZHASRFCQH-ZACQAIPSSA-N 261.453 4.824 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1cccc(F)c1 2337106976 NVOVVQYZHJMCHJ-XYPHTWIQSA-N 261.384 4.611 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H](C)C1CCCC1 2338751019 YGXYHSNWUGNUMP-MAUKXSAKSA-N 263.469 4.949 30 10 CJEE C=C[C@@H](NCCCc1cc(Cl)cc(Cl)c1)C1CCC1 2341135643 BYDMYZOMTANMKT-MRXNPFEDSA-N 298.257 4.870 30 10 CJEE C=CCCCNC[C@H](c1ccccc1)C1CCCC1 2342486214 SQJRGDWFERKGOP-GOSISDBHSA-N 257.421 4.516 30 10 CJEE C=C1CC(CNC2CC2)(C[C@H]2CCC(C)=C(C)C2)C1 2343389373 RFGLDPVFAFRTGP-INIZCTEOSA-N 259.437 4.601 30 10 CJEE CC1(C)CCC[C@](C=O)([C@@H](CC2CC2)C2CC2)CC1 2343967704 WRKNINDJSJTKCV-WMZOPIPTSA-N 262.437 4.988 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(CCC)cc1 2344344468 SGFFQAUFAGBFJQ-ZWKOTPCHSA-N 259.437 4.501 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC 2344371893 NUCZYERIJBFGGQ-QAETUUGQSA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccc(CCC)cc1 2344383957 KCOGQPPQOZGFAZ-SFHVURJKSA-N 258.405 4.743 30 10 CJEE C=CC[C@](C)(CC)[C@H](CC1(C(F)(F)F)CC1)NCC 2344384786 MWUKRQQNRAQDOF-STQMWFEESA-N 277.374 4.690 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1nc2ccccc2s1 2344394798 GHEMJOLKHZQZJZ-ZBFHGGJFSA-N 274.433 4.549 30 10 CJEE C=CCC(C)(C)[C@H](C#CC1CCCCC1)NCCC 2344396729 PEOUJBIPJIMZSU-KRWDZBQOSA-N 261.453 4.541 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1c(F)ccc(CC)c1F 2344463159 CYJCFUQFIYBMRE-HOTGVXAUSA-N 268.347 4.553 30 10 CJEE C[C@@H]1CCCCC[C@H]1N(C)C[C@@](C)(CS)C(C)(C)C 2352081903 FFWIPKAZHVEMST-INMHGKMJSA-N 285.541 4.869 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1cccc(C)c1 2352321932 YBGZWEUHITUYME-KRWDZBQOSA-N 279.493 4.804 30 10 CJEE CSc1cc(N[C@@]2(C)CCCC2(C)C)ccc1C#N 2353824192 JRFNNCORFNNZOB-INIZCTEOSA-N 274.433 4.661 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CC[C@@H]2C[C@H]1CO2 2360180176 UARJLXHPNHCMOG-XMTFNYHQSA-N 281.484 4.673 30 10 CJEE C=CC[C@H](C)SC[C@](C#N)(NCC)C1CCCCCC1 2360333206 IWPZKINGDQHHHN-RDJZCZTQSA-N 294.508 4.526 30 10 CJEE C=CCOc1ccc([C@H]2CCc3cc(C)ccc3N2)cc1 15018132 WGAKQSAGSYIZRC-GOSISDBHSA-N 279.383 4.659 30 10 CJEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)c(C)c1 37333883 MNUKJETYXXMTDM-UHFFFAOYSA-N 290.288 4.938 30 10 CJEE N#C[C@@H](Cc1cccc2ccccc12)c1cccc(F)c1 57739164 BFFLRVJEWORNAK-QGZVFWFLSA-N 275.326 4.829 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC2CCCC2)C1 62829641 KWCPDOUMXIUYHV-UMVBOHGHSA-N 251.439 4.771 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2cc(Br)cs2)C1 83791908 PEFNDQYCQKAEFT-GXFFZTMASA-N 298.249 4.773 30 10 CJEE CCCC1CCC(C#N)(CCC[C@H]2CCCO2)CC1 87959777 BMOMCFWTHYYCPX-CGZBRXJRSA-N 263.425 4.836 30 10 CJEE CCC(C)(C)C1CCC(O)(C2(C#N)CCCCC2)CC1 91875972 YETAOERFBHKTFH-UHFFFAOYSA-N 277.452 4.818 30 10 CJEE CCC(CC)(CS)CO[C@H]1CCCc2ccccc21 94583822 VIJJICJSUGRGJC-INIZCTEOSA-N 278.461 4.817 30 10 CJEE CCCCCCCOc1ccc(NC(=O)CCC)cc1 100155278 DZEAUXIZDRYFET-UHFFFAOYSA-N 277.408 4.774 30 10 CJEE Cc1ccc(C(=O)/C=C\c2cc(Cl)ccc2O)c(C)c1 101353494 KWUGJBHBNYDPLM-DAXSKMNVSA-N 286.758 4.559 30 10 CJEE C[C@@H]1C[C@H](Oc2ccc(C#N)cc2Cl)CC(C)(C)C1 104175024 DWYYOSGYHDPJDP-YPMHNXCESA-N 277.795 4.805 30 10 CJEE CCCCCCCSCc1ccc(C(=O)O)cc1 104723813 ROBOSDCLPRVQLN-UHFFFAOYSA-N 266.406 4.588 30 10 CJEE CC#C[C@H](C)[C@@H](C)c1cc(Cl)cc(Cl)c1OC 107655055 DJNKHAXNOUHTGE-VHSXEESVSA-N 271.187 4.765 30 10 CJEE CCOc1cc(Cl)c([C@H](C)CCS)cc1OCC 107678012 FBIWJFVJEKOBIZ-SNVBAGLBSA-N 288.840 4.561 30 10 CJEE CCCCCCCCOc1ncccc1Br 109314750 DKOVLESYMKCUDE-UHFFFAOYSA-N 286.213 4.583 30 10 CJEE CCCCCCCCCCCCN[C@@H]1CCCC[C@H]1O 110168512 URROAWYZTIKURF-QZTJIDSGSA-N 283.500 4.800 30 10 CJEE CCCCCCC[C@@]1(CNCC)C[C@@H]2CC[C@@H]1C2 110195444 RSCNUJCLINTRRB-ZACQAIPSSA-N 251.458 4.763 30 10 CJEE CCc1cccc(CC)c1Nc1cc(C)ccc1C#N 110251319 OQGOYBPHJVBDGX-UHFFFAOYSA-N 264.372 4.735 30 10 CJEE CCCCCCCOc1cc(Cl)ccc1C#N 110261753 AUIVJTWRIBFJEK-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE CCCCCCC[C@H](O)Cc1ccn(C(CC)CC)n1 113997469 IAEXHRUETXVNOU-KRWDZBQOSA-N 280.456 4.508 30 10 CJEE CCCCCCC[C@H](O)CSc1ccc(C)cc1 116707656 NVBPMTMOSXAEEL-HNNXBMFYSA-N 266.450 4.809 30 10 CJEE CCCCCCCCC[C@H](CCN(CC)CC)NCC 118214452 PWDFQYRLZCNTDS-GOSISDBHSA-N 284.532 4.837 30 10 CJEE CCCCCCCn1ccc([C@H](NCC)C(C)C)c1 118247020 GICFDZPQALYGJW-QGZVFWFLSA-N 264.457 4.765 30 10 CJEE CCCCCCCCCCC(=O)[C@H](N)c1cccs1 123454547 SLFRUQIQNMNPPJ-INIZCTEOSA-N 281.465 4.848 30 10 CJEE CC#CCC[C@H](NCCC)c1ccc(Cl)cc1Cl 124679726 ZFVSHYXLOQJLPI-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE CCCCCCCCCCNc1cc(N)cc(F)c1 124745868 MXFJCXUQHDTBKS-UHFFFAOYSA-N 266.404 4.961 30 10 CJEE CCCCCCC[C@@H](NN)C1CCC(C(C)C)CC1 126767568 IRECJYXOPWUROB-OFLPRAFFSA-N 268.489 4.641 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@]1(C)CCCCO1 127247348 KPJRAIXTAFEVGW-SJORKVTESA-N 269.473 4.804 30 10 CJEE CCCCCCCCCCC[C@@H](N)c1c(Cl)cnn1C 129633769 QWPUKMJRSMYJGS-OAHLLOKOSA-N 299.890 4.994 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](OCC)C1CC1 129955986 AOEXWPGVVLIWIP-IAGOWNOFSA-N 269.473 4.660 30 10 CJEE C=CCC[C@H](C)Nc1cc(Br)ccc1C 131961045 JZYSAFAASNECNB-NSHDSACASA-N 268.198 4.524 30 10 CJEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 135244580 SIKAKXJQBNLIGS-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1cc(CC)nn1C 143408553 YBYWJNISWNMHJD-QGZVFWFLSA-N 293.499 4.774 30 10 CJEE CCCCc1ccccc1/N=C/c1ccc(OC)cc1 143518930 QKQNMHNGLQLHGC-XMHGGMMESA-N 267.372 4.788 30 10 CJEE CCCCCCCCNC(=O)c1ccc(NCCC)cc1 147345709 BJCLQWSTBWXUJT-UHFFFAOYSA-N 290.451 4.599 30 10 CJEE N#CC1(Cc2c(F)cccc2F)CCCCCCC1 157683356 CTQMXTSTHGTZKB-UHFFFAOYSA-N 263.331 4.762 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(C)c1F 158106168 VBOFYDYKWSJBON-OAHLLOKOSA-N 251.389 4.755 30 10 CJEE C=CCCC[C@@H](NCC)c1csc(Br)c1 163326176 OODSJNFOQYOIEL-LLVKDONJSA-N 288.254 4.518 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@](C)(CC)OC 163392857 VNBGVDBQLYZSDE-HZPDHXFCSA-N 257.462 4.660 30 10 CJEE CCCCCCCCC[C@]1(CNC)CCO[C@H]1C1CC1 166162217 IVRFWXVRZYTFJO-ZWKOTPCHSA-N 281.484 4.532 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc(Cl)c2F)C1 167059164 VKTVRVVCXJWZQF-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE Cc1cc(C#N)ccc1Nc1c(C)cccc1Cl 203912438 RXOITSYRLCMIKU-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c2cccnc12 227856758 PQXQMEBCTAFLMQ-DOMZBBRYSA-N 299.805 4.773 30 10 CJEE CCCCCCCCn1ccc2cccc(C=O)c21 229635643 CGPBGAGLRGLAFK-UHFFFAOYSA-N 257.377 4.814 30 10 CJEE C=C(C)[C@H](NCCC)c1cc2ccc(F)cc2s1 229749811 JDLGQOKHBLHZJY-HNNXBMFYSA-N 263.381 4.657 30 10 CJEE CCCCCCCC[C@@H]1C(=O)Nc2c(C)cccc21 232936772 FOPHNHMWGGWLPK-HNNXBMFYSA-N 259.393 4.781 30 10 CJEE C=CCCCCC[C@@H](N)C1(OCC)CCC(C)(C)CC1 233707957 ZKQZKUOINFXXCH-MRXNPFEDSA-N 281.484 4.826 30 10 CJEE C[C@@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1 235193186 UITHZWKPJIKZIX-CYBMUJFWSA-N 278.827 4.711 30 10 CJEE CCCCCCCCN1C[C@@](C)(CC)NC[C@H]1C(C)(C)C 250834103 SXKAKUDBGPHCSV-PKOBYXMFSA-N 296.543 4.836 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H](C)C[C@H]2C)C1 251255216 KPSHBEFTQTZIOF-DUQPFJRNSA-N 290.495 4.851 30 10 CJEE CCCCCCCCCCNc1cncc(F)c1 302306907 NCWLMVXRTOOKER-UHFFFAOYSA-N 252.377 4.773 30 10 CJEE C[C@@H]1CCC[C@@]1(C#N)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 307893104 LWABWFRHCNXRTL-ONERCXAPSA-N 298.213 4.531 30 10 CJEE CCCCCCCCC[C@@H](N)c1cncc(Cl)c1 308012551 NWPPWBSJRPBSSL-OAHLLOKOSA-N 268.832 4.876 30 10 CJEE CCCCCCCCCC[C@H](N)c1coc(C)n1 310975128 HUVICZGOCSFXHI-AWEZNQCLSA-N 252.402 4.514 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CCC[C@H](CC)C1)C(F)(F)F 312037439 ZPFJJYHGIOQTJR-MJBXVCDLSA-N 277.374 4.690 30 10 CJEE Cc1cc(C)cc(CC2(C=O)CCC(C(C)C)CC2)c1 317597690 PTSJBTCDLYAHRN-UHFFFAOYSA-N 272.432 4.877 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(CC)cc1 379909546 OVFJOYGTDHQEBS-SFHVURJKSA-N 271.448 4.729 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2C[C@H](CC)CC[C@@H]2C)C1 380366536 PPWHOJVFDSVBOE-YYWYGQEZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCCCNC[C@@H](OC)[C@@H](C)CC 381323447 XAECGURXKNWJQY-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCOCc1cccc(CN)c1Cl 381516236 LSPGFNWHFNJZTH-UHFFFAOYSA-N 283.843 4.676 30 10 CJEE CC(C)(C)C[C@@](C)(C#N)Nc1ccccc1Br 384889519 KNVULMLQKJUWFE-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE CC(C)CC1(C/N=C2/N[C@H](C(C)(C)C)CS2)CCCC1 393988281 FBWGCMBTACXWPG-AWEZNQCLSA-N 296.524 4.700 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)CCC2CCCCC2)C1 395094593 DHKAVQPADFUWGQ-NXHRZFHOSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@H](CCOC(C)C)NCC 395499271 ZUHVHPIWSSLGCO-MRXNPFEDSA-N 257.462 4.530 30 10 CJEE Cc1cc(Sc2nccc3ccccc23)ccc1C#N 401654459 IMFCAWDCWXHTHB-UHFFFAOYSA-N 276.364 4.566 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H](CC)CC(F)(F)F 451453176 FUOWDHCAILKVHG-GFCCVEGCSA-N 299.336 4.722 30 10 CJEE C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(SCC)cc1 464435518 FBWFTOKYWFNGKZ-KGLIPLIRSA-N 291.460 4.578 30 10 CJEE C=CCC[C@@H](NCc1cccc(-c2cccnc2)c1)C1CC1 467632718 JEUWDKPTRAPJDD-HXUWFJFHSA-N 292.426 4.583 30 10 CJEE Cc1c(Cl)cccc1N[C@H](C)c1ccc(C#N)cc1F 512289852 VWZKAPUOULCBLG-LLVKDONJSA-N 288.753 4.832 30 10 CJEE N#Cc1cccnc1-c1cc(Cl)c(Cl)cc1Cl 514260829 BTZOCLJGKWFHNB-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE Fc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 575339593 GUKJXSXCGWCHGM-UHFFFAOYSA-N 282.105 4.801 30 10 CJEE C1CCCC(C/N=C2/NC3(CCCCC3)CCS2)CC1 687316647 GYPFWKXQNABSAA-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@]2(C)CCC[C@@]2(C)O)C1 688341168 FYBWQEYIHBNQSK-IAGOWNOFSA-N 277.452 4.674 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@H]1CCC12CCCCC2 694281217 WSQALONTAZYZAN-INIZCTEOSA-N 288.822 4.761 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3ccccc3F)C[C@@H](C1)C2 697312015 UWHWHULXEQRKFP-LSVZVQIISA-N 273.395 4.611 30 10 CJEE C[C@H]1CC(F)(F)CCN1CCCCCCCCCS 697736994 FLBOILAZJJPSJO-AWEZNQCLSA-N 293.467 4.767 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1nc(C)c(C)[nH]1 699927089 IJEGTVRYOXIQNL-MRXNPFEDSA-N 279.472 4.818 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@@]12COC[C@@H]1C2 701859753 UNSSQCZPRWTSQJ-BZSNNMDCSA-N 282.468 4.695 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc2ccncc12 702771491 ZEGLTDCOQCFSEH-GOSISDBHSA-N 268.404 4.632 30 10 CJEE CCCCCCCCC[C@@]1(N)CSCC(C)(C)C1 704927479 JVDZFXMXLQDAPE-INIZCTEOSA-N 271.514 4.988 30 10 CJEE C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1C(F)(F)F 705574780 VVPMKHAPSUYWQL-ZYHUDNBSSA-N 289.316 4.850 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1cc(F)cc(Cl)c1 705880398 UXOQHYONKBKQLA-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE CCCCCCC[C@@H](NCC)c1cnc(C2CC2)o1 707542835 ZYCWCCCTRUXWIC-CQSZACIVSA-N 264.413 4.563 30 10 CJEE CCC(C)(C)[C@@H](C)Nc1ccc(C#N)c2ccccc12 710104119 QOBCSLQWDVUCCZ-CYBMUJFWSA-N 266.388 4.948 30 10 CJEE C=C(Cl)C[C@H](NCC)C1CC(C)(C)CC(C)(C)C1 710650801 PFTSUQHAGMINPR-AWEZNQCLSA-N 271.876 4.960 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Cl)cc1 715008751 GAACTOFCSONFGG-DOMZBBRYSA-N 251.801 4.593 30 10 CJEE CCCCCCCC[C@H](O)C[C@@H]1CCC2(CCC2)O1 717749976 ORQZVYLDAZDMMS-HOTGVXAUSA-N 268.441 4.590 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@@H](OC)CC1 718370110 HUMMEBRZFREFHK-YESZJQIVSA-N 269.473 4.673 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@H](C2CCCCC2)C2CC2)N1 723841438 XDJJLPAEPRGIBO-NVXWUHKLSA-N 294.508 4.597 30 10 CJEE C=C1CCC(CNc2ncc(Cl)cc2Cl)CC1 724464298 JRAJQBADRJXZKH-UHFFFAOYSA-N 271.191 4.547 30 10 CJEE C=C1CCC(C[C@@H](O)[C@H]2CCCCC2(C)C)CC1 724551435 DBROUFOTIDYHAB-HZPDHXFCSA-N 250.426 4.700 30 10 CJEE CSc1c(C#N)cc(C(F)(F)F)c2sccc12 725292288 SEVNNUSXMQASTG-UHFFFAOYSA-N 273.304 4.514 30 10 CJEE Cc1cc(C)c(/C=C/C(=O)c2ccc(C#N)cc2F)cc1C 781108795 STZPIDGNOURQFW-FNORWQNLSA-N 293.341 4.519 30 10 CJEE C=C(C)CCC(=O)O[C@@H]1CCc2c(Cl)cc(Cl)cc21 1127636806 GBPVOIITTMWRFI-CQSZACIVSA-N 299.197 4.880 30 10 CJEE C=CCCCC(=O)NCC(C)(C)c1ccc2ccccc2c1 1132084046 CQLIIJNVTCDKOG-UHFFFAOYSA-N 295.426 4.590 30 10 CJEE C=C[C@H](C(=O)N1CCC[C@@H]1CCCCC)c1ccccc1 1137489665 ITMGWYMJPBSXPD-ROUUACIJSA-N 285.431 4.528 30 10 CJEE C=C(C)CCN[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F 1193248252 CWARYSPLKWUCCJ-STQMWFEESA-N 285.353 4.753 30 10 CJEE C#CCCCCCCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 1193649915 ZJPMQWJXHZEZCT-NHCUHLMSSA-N 297.486 4.961 30 10 CJEE C=CCCC1(CNCc2c(C)cccc2C)CCCC1 1203113976 WIUBRVAKFZAOKX-UHFFFAOYSA-N 271.448 4.920 30 10 CJEE C=CCCC(C)(C)CNCc1ccc(OCCC)cc1C 1203340610 XGGMQTQPVJSKLA-UHFFFAOYSA-N 289.463 4.866 30 10 CJEE C=CCCC(C)(C)NC(=O)Nc1ccc(CC)c(Cl)c1 1217559101 KIRCOKKMVOOUTB-UHFFFAOYSA-N 294.826 4.769 30 10 CJEE C=CCCC[C@H](C(=O)N1C[C@H]2CCCC[C@H]21)c1ccccc1 1289517057 KGRAYIYPBNOMSE-CEXWTWQISA-N 297.442 4.528 30 10 CJEE Cc1ccc(SCC2CC3(CCC3)C2)c(C#N)c1 1307390150 NQMDZUGDLIUNPV-UHFFFAOYSA-N 257.402 4.539 30 10 CJEE C=CCOc1cccc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)c1 1308433375 KGEHFDQZUNUYQE-ZWKOTPCHSA-N 287.447 4.556 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC/C=C/c1ccc(F)cc1F 1308462625 RYHSPLYWAGARIT-ZEDVSWOJSA-N 291.385 4.703 30 10 CJEE CCCCCCCCCN(C)Cc1c(Cl)c(C)nn1C 1308616913 XARDISBCPSOEID-UHFFFAOYSA-N 299.890 4.564 30 10 CJEE C=CCC[C@@H](CC)Nc1cc(OC)c(Cl)c(OC)c1 1308810911 YIVXZTZNCDLFSI-LLVKDONJSA-N 283.799 4.514 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(SC(F)F)cc2)CC1 1348696469 DVACPXZEZTXJMP-UHFFFAOYSA-N 297.370 4.686 30 10 CJEE C=CCC1(C(=O)N[C@H]2CCc3c(C)cccc32)CCCCC1 1435094763 HINQCKWMKJEDKH-SFHVURJKSA-N 297.442 4.625 30 10 CJEE C=CCCCCCS[C@@H](COC)c1ccccc1 1459282325 LGJBTESTOVJGEM-INIZCTEOSA-N 264.434 4.854 30 10 CJEE C=C(C)[C@H](N[C@@H](C)CC(C)C)c1ccc(F)c(F)c1 1459979164 HTLYPOSXZAAMFG-LRDDRELGSA-N 267.363 4.606 30 10 CJEE C=CCN(Cc1ccc(Cl)c(C)c1Cl)C(C)C 1461888018 LFCOAKZCDZFYAA-UHFFFAOYSA-N 272.219 4.698 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1 1463259605 WIALKXMKWKDUQE-MDASCCDHSA-N 291.394 4.708 30 10 CJEE C=C[C@@H](C(=O)N[C@@H]1CCCCC12CCCC2)c1ccccc1 1468529716 BUNOTGVXZNMUIZ-QZTJIDSGSA-N 297.442 4.575 30 10 CJEE C#CCCOC(=O)Oc1cccc(-c2c(C)cccc2C)c1 1475355791 VGHGLNUSMIOBIZ-UHFFFAOYSA-N 294.350 4.509 30 10 CJEE C=CCCCCCCCCNC(=O)NC1CCCCC1 1475355814 WAPXROXUOLLFPO-UHFFFAOYSA-N 280.456 4.535 30 10 CJEE C=CC[C@@H]1N(C(=O)C=C2CCC(C)CC2)CCCC1(C)C 1519869751 BBRLREBJRUDDRV-LWKPJOBUSA-N 289.463 4.716 30 10 CJEE C=CC(C)(C)CC(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 1519983452 DAIXLBCQMPBCIP-HUUCEWRRSA-N 279.468 4.557 30 10 CJEE C=CCCCCCCNC(=O)c1cc(C(C)C)oc1C 1532067992 OPUDFJZIMWXICZ-UHFFFAOYSA-N 277.408 4.578 30 10 CJEE C#CCCCCCC(=O)O[C@@H](C)c1cc(Cl)ccc1F 1537369974 WQFYYJKJTIICCK-LBPRGKRZSA-N 296.769 4.667 30 10 CJEE C=C[C@@H](OC(=O)c1cccc2ccsc12)c1ccccc1 1538944219 YJMGKMXBSLITFY-MRXNPFEDSA-N 294.375 4.985 30 10 CJEE C#CCN(C1CCCCC1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 1560657270 HWBZIYCUVNNTJZ-NHCUHLMSSA-N 295.470 4.765 30 10 CJEE C=CCC[C@H](CCC)Nc1cc(OC)c(Cl)c(OC)c1 1560879978 SHOJGSJLQGRPOZ-LBPRGKRZSA-N 297.826 4.904 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@@H]3CCC[C@@H]32)CCCC1 1560928973 JSUJKFNORISVCQ-YESZJQIVSA-N 261.453 4.681 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C(C)C)c3ccccc32)CCCC1 1586555128 HLJPJCAXWIGBOX-KRWDZBQOSA-N 297.442 4.909 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC(CC2CCCCC2)CC1 1611479821 YQWVAMNSMLBIIJ-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C#C[C@H](N[C@@H](C)CCCCC=C)c1ccc(Cl)cc1F 1621327839 DOKABAVIEFGGOO-GUYCJALGSA-N 293.813 4.878 30 10 CJEE 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287.523 4.533 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cnc(F)cc1C 2164264752 RLWRXLSRKFLONQ-INIZCTEOSA-N 278.415 4.706 30 10 CJEE CCCC[C@@](C)(C#N)[C@]1(O)CCCCCCCC1(F)F 2164468372 ALBFSHIJHFGRMR-LSDHHAIUSA-N 287.394 4.817 30 10 CJEE N#C[C@]1(C[C@@H]2CC23CCC(F)(F)CC3)C[C@H]2CC[C@H]1C2 2165683904 UMFHKUKILMHIBH-RZLSGREXSA-N 279.374 4.922 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CC2(CC2)CO1 2166443288 FYVXEZYBOVKEHV-IAGOWNOFSA-N 281.484 4.674 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@@H](OCC)C(C)(C)C)CCC1 2168021794 BLGLXWNANOJGFA-HZPDHXFCSA-N 281.484 4.552 30 10 CJEE C=CC1(C[C@@H]2C[C@@H]3CCCC[C@H]3[C@H]2NCCC)CCC1 2168031459 PVQJNYBYMNAUMO-FJIDUMEYSA-N 275.480 4.927 30 10 CJEE C=CC1(C[C@@](C)(N)c2cccc(C(F)(F)F)c2)CCC1 2168032424 YOWCZHCKEUQUQP-CQSZACIVSA-N 283.337 4.626 30 10 CJEE N#CC1(c2cccc(C(F)(F)F)c2)CC(CC2CC2)C1 2169172772 HMYYVVGHPKBJLX-UHFFFAOYSA-N 279.305 4.677 30 10 CJEE C#CCCCC[C@@H](NCCC)c1csc2c1CCCC2 2173470011 FIHIHMBRXCOVAP-QGZVFWFLSA-N 289.488 4.861 30 10 CJEE Cc1cc(Cl)cc([C@H](O)[C@@]2(C#N)CCCCC2(C)C)c1 2173632034 BNAJQEJWCWNQJC-RDJZCZTQSA-N 291.822 4.792 30 10 CJEE C=C[C@@H](C)C[C@H](NCCC)c1c(F)ccc2c1CCC2 2178070864 AHIUFEXKVPTNJT-DYVFJYSZSA-N 275.411 4.567 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CCc3ccccc3C2)C1 2178377231 BOGBLLAOOXLAQO-JTDSTZFVSA-N 270.416 4.577 30 10 CJEE C=C1CC(C[C@H](NCCC)[C@@]2(C)CCCCC2(F)F)C1 2182170180 YPZBDNWYQSXTPE-JKSUJKDBSA-N 285.422 4.927 30 10 CJEE CCCCCCC[C@@H]1CC[C@@H](COC)[C@@H](NCCC)C1 2183727406 IEJQSVINMNEEBF-SQNIBIBYSA-N 283.500 4.778 30 10 CJEE CN(CCCCC(C)(C)C#N)CC12CCCC1CCC2 2183809551 ZKTDOWMUHMUKFL-UHFFFAOYSA-N 276.468 4.609 30 10 CJEE CCCCCCCCNCc1ccnc(C(F)(F)F)c1 2184363044 MLJNMSTYKAXACC-UHFFFAOYSA-N 288.357 4.551 30 10 CJEE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1Nc1cc(Cl)c(F)cc1C#N 2184454663 UNYSRPQREGCRGR-CCUNJIBTSA-N 292.785 4.587 30 10 CJEE C=C(C)CN(c1ccc([C@@H](C)NCC)c(Cl)c1)C(C)C 2186472742 RUCJYYXCAFVXJL-CQSZACIVSA-N 294.870 4.801 30 10 CJEE CCc1ccc(C#N)c(N(C)[C@H]2CCCCC[C@H]2C)c1 2188849438 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C=CCN(CCC)Cc1ccc(-c2ccccc2)cc1 2195907255 OMDZEZLEWNWBSY-UHFFFAOYSA-N 265.400 4.752 30 10 CJEE CCCCCCCCCCCCN1CC(N(C)CC)C1 2195914521 GMKDARLRDJCHNR-UHFFFAOYSA-N 282.516 4.543 30 10 CJEE CC#CCCCC[C@@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2CC1 2196171073 FYJBWUCDOKBDSH-FCGDIQPGSA-N 275.480 4.765 30 10 CJEE C=CC1(C[C@H](NCCC)c2c(C)cccc2F)CCC1 2196796743 SOPHLWQFTIPNDY-INIZCTEOSA-N 275.411 4.921 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1ccc(C)cc1Cl)C1CC1 2196835516 CHRJQTAIGGUBDE-MAUKXSAKSA-N 289.850 4.739 30 10 CJEE C#CC[C@H](C)C[C@]1(CNC2CC2)CCCC(C)(C)CC1 2196836507 KJRJCWYTERNBHW-LPHOPBHVSA-N 275.480 4.765 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)[C@H]1CCCCCC1(F)F 2196837764 SVKIKYVMWFKVRB-ARFHVFGLSA-N 285.422 4.620 30 10 CJEE C=C(c1ccccc1)[C@H](NC)[C@]1(C)CC[C@@H](C)C1(C)C 2197140363 SJJOHYTXNGYPBQ-LJHODMEESA-N 271.448 4.750 30 10 CJEE C=C(c1ccccc1)[C@H](NC)C1(C)CCC2(CC2)CC1 2197151948 QNJXIGRFDIEKFT-KRWDZBQOSA-N 269.432 4.648 30 10 CJEE C#CCCCCCN(C)C[C@H]1C[C@@H]1C1CCCCCC1 2200228405 LEAUMLLTQIGSBV-RTBURBONSA-N 275.480 4.718 30 10 CJEE CCCCCCC[C@@](C)(O)[C@@H](C=C1CCC1)NCCC 2200693145 MLCBLNGHWVNYOC-QZTJIDSGSA-N 281.484 4.576 30 10 CJEE Cc1ccc(N[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1C#N 2201126828 SQZYGOHSRDLWHP-BMGDILEWSA-N 268.404 4.638 30 10 CJEE CCCCCC#CC[C@@](C)(O)c1ccc(C(C)C)cc1 2203780083 QBCLBEYTAHWPPD-LJQANCHMSA-N 272.432 4.991 30 10 CJEE CCCCC#CC[C@H](CC(C)(C)C(F)(F)F)NCCC 2203832514 JHSYBLMXGAENRW-CQSZACIVSA-N 291.401 4.917 30 10 CJEE N#Cc1c(Cl)cccc1OCC1C2(CCC2)C12CCC2 2203937228 KQNZEUBIZQTTGV-UHFFFAOYSA-N 287.790 4.561 30 10 CJEE C=CCCCCCC[C@@]1(CN)CCc2ccccc2C1 2206902263 IIULMFSJGBSZBR-LJQANCHMSA-N 271.448 4.647 30 10 CJEE C=CCCCCCCCCCN(C)[C@H]1CCC[C@H]1OC 2207375520 UFRUZGWPVPTVOG-ZWKOTPCHSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCCCN1CC[C@@](C)(COC)C1 2207382480 SGCGWUZYBPQCJN-GOSISDBHSA-N 281.484 4.652 30 10 CJEE C=CCCCCCCCCC[C@@H]1C[C@@H](COC)C[C@H]1O 2207403762 PIKIGTLKJDAKLF-KZNAEPCWSA-N 282.468 4.717 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ncoc1C(F)F 2207406301 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271.489 4.920 30 10 CJEE C/C=C/CCC[C@H](N)[C@@](C)(O)CCCCCCCC 2231930145 UFSXHCPMPVHGGZ-DGDBIBOCSA-N 269.473 4.562 30 10 CJEE CCC(C)(C)N(CCC#N)CC1C[C@H]2CCC[C@H](C1)C2 2233713517 BABJBFMSBQSNFV-HOTGVXAUSA-N 276.468 4.607 30 10 CJEE C=CCCCCCCCCOC[C@H](O)C(C)(C)C(F)F 2234051944 UPSBXTOWHCYXLR-AWEZNQCLSA-N 292.410 4.572 30 10 CJEE C=CCCCCCCCCO[C@@]1(C(=O)O)CCC[C@H]1C 2234061541 UWOPCXIMLGRPFR-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CCCCCCCCNC1CC2(C1)C(F)(F)C21CC1 2235518941 LJNDBNGGBXDXQZ-UHFFFAOYSA-N 283.406 4.681 30 10 CJEE CC1=CC[C@@](C)(CN(C)c2cc(Cl)ccc2C#N)CC1 2237301401 PXCMJKNUSHWEDT-QGZVFWFLSA-N 288.822 4.784 30 10 CJEE N#Cc1cc(F)cc(NCCCCCCCC2CC2)c1 2239423164 JSIKQXDSUCRMRG-UHFFFAOYSA-N 274.383 4.860 30 10 CJEE CCCCCCCCCOc1cc(OC)c(N)cc1F 2239455551 YRORGORSMTWFFK-UHFFFAOYSA-N 283.387 4.546 30 10 CJEE C=C[C@H](CCCCC)OCC[C@@H]1CCC[C@H]1NCCC 2239510016 JKZBBFDMLZXSED-RCCFBDPRSA-N 281.484 4.696 30 10 CJEE CCCCCCCC[C@](C)(N)[C@H]1CCc2cccnc21 2240628121 LFEOCRIVPQZNHB-WMZOPIPTSA-N 274.452 4.579 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](CO)CC1CCCC1 2240644801 NEPKLOQYIWETTD-SJLPKXTDSA-N 283.500 4.656 30 10 CJEE C[C@H]1C[C@@H]1CCCC[C@]1(C#N)CCS[C@H](C)C1 2247118352 HBKDMTMLEKJNSX-XGUBFFRZSA-N 251.439 4.628 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1sc(C)nc1C 2259193062 ARGOFKIKFHJMHM-AWEZNQCLSA-N 266.454 4.547 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1cc(Cl)ns1 2259209885 FCEAEOKVTFYWIN-LBPRGKRZSA-N 286.872 4.974 30 10 CJEE C=C[C@H](C)CCN[C@H](CC)C1CCC(C)(C)CC1 2260231597 YNDBVFUAKARMEU-GOEBONIOSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCN[C@@H]1CCC[C@@H]1CF 2260464310 KKEPSGFPAVZHSG-HZPDHXFCSA-N 257.437 4.855 30 10 CJEE C=C(C)CCCC[C@H](CCC1CC(C)C1)NCC 2261491409 ZCIUEEVWYZFAIU-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@H]1C1CC1 2263714958 FTZLYEVTYZSTQN-UAGQMJEPSA-N 251.458 4.904 30 10 CJEE CCCC#C[C@H](C[C@H]1CCCCC12CC2)NCCC 2264821225 CTZFUJZSFRPYNR-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@H](C[C@@H]1CCCCC12CC2)NC 2264883924 ILNNJKUQKGIWOF-DLBZAZTESA-N 261.453 4.519 30 10 CJEE C[C@@H]1CCC[C@@H](CC[C@]2(C#N)CCOC(C)(C)C2)C1 2265061000 NKNZFSJMGTWJKX-VYDXJSESSA-N 263.425 4.692 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)ccc1Cl 2268743976 UWHPHAHOWJZKHP-HNNXBMFYSA-N 296.241 4.989 30 10 CJEE CC(C)(C)C#CC=CCC(=O)C1(C(C)(C)C)CCC1 2268769211 NIDJVKSIHNLOCP-UHFFFAOYSA-N 260.421 4.768 30 10 CJEE C=C(C)CCCC[C@@H](CCc1cccc(C)c1)NC 2271782623 ZILHEWNJDAEPSM-SFHVURJKSA-N 259.437 4.652 30 10 CJEE C=C(C)CCCC[C@H](NCC)c1cc(C)ccc1F 2271786415 XIGVVTPYZSSJGB-KRWDZBQOSA-N 263.400 4.921 30 10 CJEE CC(C)CCC[C@@H](C)CCN=C1N[C@H](C(C)C)CS1 2272259802 GITBOEKIHHGIHZ-CABCVRRESA-N 284.513 4.556 30 10 CJEE C=C[C@H](C)CCN[C@H](C)c1ccc(C(C)(C)C)cc1 2273022594 WNWXQNXEDLSVBN-LSDHHAIUSA-N 259.437 4.847 30 10 CJEE O=CC1(C[C@]23CCCC[C@@H]2CC3)C[C@@H]2CC[C@H](C1)S2 2273400173 KAZZXMQHAXVIDB-CTVHLWBWSA-N 278.461 4.590 30 10 CJEE N#Cc1ccccc1SC1CC2(C1)CC1(CCC1)C2 2274000292 IVYCSQGZMMDDTN-UHFFFAOYSA-N 269.413 4.763 30 10 CJEE C=CCCCCCCCCC[C@H](CC)OCC(=O)O 2275253717 IDEHQRDXOCAVFO-HNNXBMFYSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@@H](OCCCN)C1=CCCC1 2276289612 NGJJFLHIKDGFBF-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@@](C)(CSCCC)OCCN 2277359261 JHDLVJACTASZKG-INIZCTEOSA-N 289.529 4.614 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CO)[C@@H](C)CC 2278244805 UFMBGEWONBNYDJ-ULQDDVLXSA-N 271.489 4.512 30 10 CJEE CCCCCCSCCCC[C@@](C)(C#N)NC(C)C 2278321854 PJVHOSNHJPDWFQ-INIZCTEOSA-N 284.513 4.750 30 10 CJEE C=CCCCCCCCC(=O)c1ccc(N)c(C)c1C 2283455228 YFGQLPLVIVULPH-UHFFFAOYSA-N 273.420 4.985 30 10 CJEE CCCNC[C@]1(CC=CC#CC(C)(C)C)CC[C@@H](C)C1 2284082167 SCCAXAPVUWKGGZ-IEBWSBKVSA-N 275.480 4.788 30 10 CJEE CCN[C@@H]1CCC(C)(C)C[C@@H]1CC=CC#CC(C)(C)C 2284087402 DANGSENRHJSNOC-DLBZAZTESA-N 275.480 4.787 30 10 CJEE C=C(C)CCCCC(=O)C1(O)CCCCCCCCC1 2287370489 SACHYXBVIDDUOK-UHFFFAOYSA-N 280.452 4.948 30 10 CJEE CC(C)CCC[C@H](C)CCN=C1NC[C@H](C(C)(C)C)S1 2287882329 AWJQYMZXFOPNDV-LSDHHAIUSA-N 298.540 4.946 30 10 CJEE CC1(C)CCC[C@@](C#N)(C[C@@]23C[C@@H](CO2)C3(C)C)CC1 2288968152 ORISWLOFVYWYKD-JCGIZDLHSA-N 275.436 4.692 30 10 CJEE CCSc1cccc(N[C@@]23CCCC[C@H]2CC3)c1C#N 2289132184 MKIMEFLMIQHZSV-SUMWQHHRSA-N 286.444 4.805 30 10 CJEE CCN[C@H](C#CC1CCCCC1)CCC1CCCCC1 2289784868 JCRAKUNXOHVFBX-IBGZPJMESA-N 275.480 4.909 30 10 CJEE CCCN[C@@H]1[C@@H](CC#CC2CCCC2)CCCC1(C)C 2289884545 XJGUHWXVMAIOIO-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@]1(OCC(=O)O)C=CCCC1 2290566709 SDKKZEFPWLGXJA-QGZVFWFLSA-N 282.424 4.707 30 10 CJEE CCCCCCC[C@](CC)(OCCC(=O)O)[C@H]1C[C@@H]1C 2290916594 AOORNHHEVPWXHZ-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE CC=C(CC)[C@](C)(CCCCCCC)OCCC(=O)O 2291417260 VWTXBJPLZIERQF-KRWDZBQOSA-N 284.440 4.953 30 10 CJEE CCCCCCCC[C@@H](CCCC1CC1)OCC(=O)O 2291580071 VKNYRPDFHISXBP-INIZCTEOSA-N 284.440 4.787 30 10 CJEE C=CCCCCCCC[C@]1(OCCN)CC[C@@H](C)SC1 2292642801 CBGZQLRWCAERDV-SJORKVTESA-N 299.524 4.533 30 10 CJEE C=CCCCCCCC[C@H](OCCN)C1(C(C)C)CC1 2292645153 DFFPTMALZXUYNB-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE C=CCCCCC[C@@H](OCCN)c1cc(C)ccc1Cl 2292881981 JVYKPPOFHGXWFI-QGZVFWFLSA-N 295.854 4.801 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCC[C@@H]2CC[C@H]21 2293373764 MNKDGIJQNPROPB-KURKYZTESA-N 281.484 4.661 30 10 CJEE C=CCCCCC[C@]1(OCCCN)CCCC2(CC2)C1 2294034828 BDWUDUNGORPKQE-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCCCCCC1(OCCCN)CC(CC)(CC)C1 2294036377 QEDDPKQFALMXDQ-UHFFFAOYSA-N 281.484 4.827 30 10 CJEE C=CCCCC[C@H](OCCCN)c1ccc(F)c(Cl)c1 2294419988 PNSRKADLSOWPCM-INIZCTEOSA-N 299.817 4.632 30 10 CJEE CN(CCCCCCCS)[C@H]1CCCc2ccccc21 2294773027 LMJKKGIJVOMXEW-SFHVURJKSA-N 291.504 4.876 30 10 CJEE CCCCCCCCC[C@H](C)N1C[C@H](CN)CC[C@@H]1C 2295533062 CVHVAMAZLMVLPA-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE CCCCCCCCC[C@](C)(O)c1ccnc(SC)n1 2295581203 NYYQQZXZGYNASL-INIZCTEOSA-N 296.480 4.547 30 10 CJEE CCCCCCCCC[C@@](C)(OCC(C)(F)F)C(=O)O 2295596969 POWPRYRKCMEVJW-CQSZACIVSA-N 294.382 4.642 30 10 CJEE CCCCCCCCC[C@@H](C)NCCOCC(F)(F)F 2295667657 ADOPGVKGFGYQFM-CQSZACIVSA-N 297.405 4.684 30 10 CJEE C=CCCC[C@H](NC)[C@](C)(O)CCCCCCCCC 2295681243 FNDINLHBICMJHV-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)C[C@@H](C)C(C)C 2295682311 OXSNXNKXXJPPBY-KURKYZTESA-N 285.516 4.888 30 10 CJEE CCCC[C@@H](CC)CSC[C@@](C#N)(CCC)NCCC 2295763270 GWIKEYFUGNJFEX-SJORKVTESA-N 298.540 4.998 30 10 CJEE C=C(C)C[C@@H](NCCC)c1csc(C(F)F)c1 2302878359 OICASIRXPMVUEA-LLVKDONJSA-N 259.365 4.693 30 10 CJEE CCC(CC)(CC)COC[C@H](CS)CC(C)C 2308059155 ZTKKRUVZDGBNLD-CQSZACIVSA-N 260.487 4.812 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@@H]1C[C@@H]1C(F)F 2312624154 QYVRLILVEPKUAN-RDBSUJKOSA-N 261.400 4.616 30 10 CJEE CCCCCCCC[C@@H](C)NN(CCC)CCC 2318751960 XWKAGQUVGZXNGN-MRXNPFEDSA-N 256.478 4.752 30 10 CJEE C=CC[C@@H](C)[C@@H](CCC(C)(C)C1CC1)NCCC 2321108521 QFWPUNNOPJHPGY-GDBMZVCRSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H](C)CC(F)(F)F)NCCC 2321108614 RHFHRGVDGAKICK-AGIUHOORSA-N 265.363 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC1(C)CC(C)C1)NCC 2321130634 KUGJUIPDVFRULL-MNAZLIDISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](CC1(C)CCCC1)NCCC 2321131532 RVHVAKRKUWOXFN-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE CCCCCCCOCc1cc(Cl)cc(N)c1C 2327994933 AIUJTYUZPACHPJ-UHFFFAOYSA-N 269.816 4.718 30 10 CJEE C=CCC(CC=C)Sc1cccc(F)c1[C@@H](C)NC 2335246349 VKNRNHJRMUXMEF-GFCCVEGCSA-N 279.424 4.719 30 10 CJEE CCCCCCCC[C@](C)(O)c1cnccc1SC 2336833683 PDVPIQXOHOJIMO-INIZCTEOSA-N 281.465 4.762 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1c(F)ccc(C)c1Cl 2337072504 JNDVOONYGJWXRR-SWLSCSKDSA-N 281.802 4.622 30 10 CJEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CNC1CC1 2337275950 AZNBFYAWXKDDGP-JTQLQIEISA-N 299.842 4.788 30 10 CJEE CCCCC1CCC(C(=O)C#Cc2cccs2)CC1 2338268826 DMWGUUGNETUOGG-UHFFFAOYSA-N 274.429 4.665 30 10 CJEE C=C(c1ccccc1)[C@@H](N)c1ccc(F)c(C)c1Cl 2338551636 OTSCPVDPTYLDRW-MRXNPFEDSA-N 275.754 4.501 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC(C)C)CCCSC1 2338729611 HYJJKACYVUTCFP-QGZVFWFLSA-N 281.509 4.514 30 10 CJEE C=CCC(CC=C)[C@@H](C[C@H]1CCCC1(F)F)NCC 2338739297 UPCYENMJYAAWSH-HUUCEWRRSA-N 271.395 4.558 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)ccc1C1CC1 2341788036 IYILKJSNIJUZBQ-PXAZEXFGSA-N 261.384 4.566 30 10 CJEE C=CCCC[C@H](O)[C@H](c1ccccc1)C1CCCC1 2342360147 LEQXOHUSHBTNBY-ZWKOTPCHSA-N 258.405 4.678 30 10 CJEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(Cl)c1C)NC 2344338295 YJAKXAQBPHFVNN-SJORKVTESA-N 279.855 4.771 30 10 CJEE C=CCCCS[C@]1(C(=O)O)CCCC[C@@H]1C(C)(C)C 2352204569 ZMXOWJZPAUHLIK-CZUORRHYSA-N 284.465 4.746 30 10 CJEE C#CCCCCCCCOc1ccc(Cl)cc1C#N 2353128993 CJJNSAAKGFCLDS-UHFFFAOYSA-N 275.779 4.564 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(F)cc1SC 2353818580 LCNRGSIQJNGBNJ-BLLLJJGKSA-N 281.440 4.801 30 10 CJEE CC(C)C[C@@H](CS)CN(C)[C@@H]1CCC12CCCCC2 2353842697 HUMVXZGPDQYTJX-HZPDHXFCSA-N 283.525 4.623 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1cccc(Cl)c1C#N)C2 2354138949 AJDONQKJCPNCLY-IGCXYCKISA-N 288.822 4.982 30 10 CJEE Cc1ccc(N[C@@]2(C#N)C[C@@H]3CCCC[C@]3(C)C2)cc1 2354152594 ZITVEMVPDOEXAJ-JQHSSLGASA-N 268.404 4.660 30 10 CJEE C#CC(C)(C)C[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354974946 FALJVPHDBYDYLU-XLAORIBOSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]12C[C@@H](OC)[C@@H]1C2 2358322560 RTMSYQDABRAKRO-JZXOWHBKSA-N 278.436 4.677 30 10 CJEE C=CCCCCCCCN(C)[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]21 2358670696 ZEBGBAHTTRRRMQ-ZWJWXYIHSA-N 275.480 4.879 30 10 CJEE C=CCC(CC=C)SC[C@](C#N)(C[C@H](C)CC)NCC 2360208815 UMWVSTNOVRTURH-NVXWUHKLSA-N 294.508 4.548 30 10 CJEE C=CC[C@H](C)Sc1ccc(CN[C@@H](C)CC)cc1C#N 2360363641 JDFXMMVXTLIDMK-KBPBESRZSA-N 288.460 4.503 30 10 CJEE C=CC[C@H](C)Sc1ccc(OC)cc1CN[C@@H](C)CC 2360364001 KCWBBBWOUKGGLC-KBPBESRZSA-N 293.476 4.640 30 10 CJEE C=CCC(CC=C)Sc1cc([C@H](C)NCCC)ccn1 2360369249 UXDCLPCNOSTYET-AWEZNQCLSA-N 290.476 4.755 30 10 CJEE C=C(C)[C@@H]1CC=C(CN(C(=O)c2ccccc2)C(C)C)CC1 34952031 VIDZZKODFDMUGA-GOSISDBHSA-N 297.442 4.840 30 10 CJEE N#Cc1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 35254949 ULRAWSRUCRWDDG-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE CCCCc1ccc(NCc2ccccc2C#N)cc1 37249741 KNYIRTBZIVCGBN-UHFFFAOYSA-N 264.372 4.513 30 10 CJEE CCCCCCCCCOc1ccc(CN)cc1OCC 59088247 AJYVQBKIHILXHJ-UHFFFAOYSA-N 293.451 4.673 30 10 CJEE CCCCCCCCCC(=O)Nc1ccsc1C(=O)O 59218838 CJTNVTNEDBHUMB-UHFFFAOYSA-N 297.420 4.526 30 10 CJEE COc1ccc(C(C)C)cc1-c1cc(CC#N)c(C)s1 77095218 IFXLLKQKPZOJMO-UHFFFAOYSA-N 285.412 4.922 30 10 CJEE CC1(C)[C@@H](Nc2ccc(Cl)c(C#N)c2)[C@@]2(C)CC[C@@H]1C2 80141250 IDKFCGFZJJSUCH-VMGRFDJRSA-N 288.822 4.838 30 10 CJEE C=CCCCSc1cccc([C@H](C)NCCC)c1 84126822 NIOLTIQESYFIQD-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87996790 JVOOMYLOKSEYPR-WFASDCNBSA-N 292.220 4.712 30 10 CJEE C=CCSc1ccccc1NCc1ccc(COC)cc1 88567859 PLIBNEAIRNOIJE-UHFFFAOYSA-N 299.439 4.723 30 10 CJEE C[C@H]1CCC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 89606379 BJKRGHQPQULOTO-WCQYABFASA-N 296.336 4.815 30 10 CJEE CC[C@@H]1CCC[C@@](O)(C2(C#N)CCC(C)(C)CC2)CC1 91903300 DWYMQGOUKFOGQF-QAPCUYQASA-N 277.452 4.818 30 10 CJEE Cc1cc(Cl)cc(C)c1OC[C@@H](CS)C(C)(C)C 94583456 URBMZIQZKCJFIF-LBPRGKRZSA-N 286.868 4.928 30 10 CJEE CCC(CC)[C@H](C#N)Sc1ccccc1Br 94674696 WGAFTMACADLQMR-ZDUSSCGKSA-N 298.249 4.870 30 10 CJEE CCCCCCCCCN(CC)c1ccc(N)cc1 104168492 JLHUONFXTFPUBA-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCOC[C@@H](NC)c1cc(C)ccc1C 110081466 OBRXXLDFPIXLRA-GOSISDBHSA-N 277.452 4.551 30 10 CJEE COc1ccc(Cl)c(Nc2ccc(Cl)cc2C#N)c1 110256933 UOEMRVXMPYFKBO-UHFFFAOYSA-N 293.153 4.617 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H]1CCCOC1 114998197 VNHSFHMZQZVRPI-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCN1CCCN[C@H](C(C)(C)C)C1 115264222 VTNVFKBLEWDTQP-SFHVURJKSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCC[C@H](NCCC)[C@H]1CCOC1 115761534 RSGJCUYDIKMADC-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCC(=O)Nc1cccc([C@H](C)N)c1 115854894 FNDFJOOWFQWMFW-HNNXBMFYSA-N 290.451 4.786 30 10 CJEE CCCCCCCC[C@H](O)C(CC)(CC)N1CCCC1 118171073 QIFWXUXLUUDIKL-KRWDZBQOSA-N 283.500 4.753 30 10 CJEE CCCCCCCCC[C@H](NN)c1ccc(OC)cc1C 122089300 INCYXLPCWGMVOW-SFHVURJKSA-N 292.467 4.649 30 10 CJEE CCCCCCC[C@H](NN)c1oc2ccc(F)cc2c1C 122270022 BSZQNAURQAMVKP-HNNXBMFYSA-N 292.398 4.745 30 10 CJEE CCCCCCCCOc1cc(C)ncc1CNC(C)C 122853248 XOTDPJOBXHJKDA-UHFFFAOYSA-N 292.467 4.627 30 10 CJEE CCCCCCCCCCCCC(=O)C1(CN)CC1 123410027 BUFMPYUKHBCUIR-UHFFFAOYSA-N 267.457 4.605 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(OCCC)c1 125669554 ADHKZWSKAZZHPQ-SFHVURJKSA-N 275.436 4.872 30 10 CJEE N#Cc1ccc(Cl)c(N[C@H]2CCC[C@@H](C3CC3)C2)c1 125710801 FDRCJZGNUXKGTM-KGLIPLIRSA-N 274.795 4.592 30 10 CJEE CCCCCCCCNCc1sccc1CC 125846502 SIGWYWUXICOLEZ-UHFFFAOYSA-N 253.455 4.761 30 10 CJEE CCCCCCCC[C@@H](NN)C(C)(C)c1ccc(F)cc1 126545352 CLBASSUMQCHCJR-QGZVFWFLSA-N 294.458 4.686 30 10 CJEE CCCCCCC[C@@H](NCCC)c1ccncc1F 129386647 ANQJCNWECUNNQL-MRXNPFEDSA-N 266.404 4.622 30 10 CJEE CCCCCCC[C@H](NN)C1CCCCCCC1 130001431 IJDLJJNQTQRMHG-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CSc1cccc(N[C@@H]2CCCC(C)(C)C2)c1C#N 130554880 KRBBAGJYXKMJTR-GFCCVEGCSA-N 274.433 4.661 30 10 CJEE CCCCCCCOc1nc(C2CC2)nc(Cl)c1C 132516184 FTPCNIRVVMPLPM-UHFFFAOYSA-N 282.815 4.665 30 10 CJEE Cc1cc(N[C@@H](C)c2ccccc2Cl)ccc1C#N 132641421 UMXFNKJHJASLNR-LBPRGKRZSA-N 270.763 4.693 30 10 CJEE CCCCCCC[C@H](COC(C)(C)C)NCCC 139646974 CVHNCJDZJJKWMJ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CCOC1)NCC 156440234 RBCIRJQBSQHZPC-ZWKOTPCHSA-N 283.500 4.922 30 10 CJEE CCCCCCC[C@@H](NC)c1cc2c(s1)CCC2 157996940 HIFJFNZZOWIXCH-CQSZACIVSA-N 265.466 4.858 30 10 CJEE CCCCCCCCNc1ncnc(NCC)c1C(C)C 159049867 NQNQPLNTPUTLOE-UHFFFAOYSA-N 292.471 4.804 30 10 CJEE CCCCCCCCCCNCc1cccc2c1NCC2 159438375 HEVBMGUCBSHCIT-UHFFFAOYSA-N 288.479 4.885 30 10 CJEE Cc1cc(C#N)ccc1CS[C@@H]1CCC[C@@H](C)C1 166000365 UZFAJFWXJFDKGV-MLGOLLRUSA-N 259.418 4.679 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(OC(F)(F)F)cc1 167772074 YHGXVALNDIJKOF-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CCCCC[C@H](NCc1ccc(C#N)o1)c1ccccc1 174344445 JKTOWDAMERKKKS-SFHVURJKSA-N 282.387 4.562 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C(C)C 191416515 MOORBTKZADXRLI-UHFFFAOYSA-N 288.435 4.801 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc2ccccc2c1 203446838 AVBYAMOVAIYKBM-UHFFFAOYSA-N 258.324 4.764 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1cc(Cl)ccc1C#N)C2 228970809 AKTAKXGATOQVGQ-NUTKFTJISA-N 289.806 4.805 30 10 CJEE C=CCCCCC[C@H](NCC)c1cc(OC)cs1 233543896 DTIGBEOMJTWIAY-AWEZNQCLSA-N 267.438 4.544 30 10 CJEE CCO[C@H](C(=O)C1=CCCCCCC1)c1ccccc1 233771729 MBGMCCXDQSTYAP-SFHVURJKSA-N 272.388 4.614 30 10 CJEE Cc1ccc(N[C@@H](C)c2ccc(Cl)s2)c(C#N)c1 235542769 HAGDFZQJGVZOIE-JTQLQIEISA-N 276.792 4.755 30 10 CJEE C[C@H](Oc1cccc(Cl)c1)C(=O)C1=CCCCCC1 235548405 FCPBCSZRPXKDNW-LBPRGKRZSA-N 278.779 4.567 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1CCC(C)CC1 311350237 VJUYGPRHHIOHRF-JCYILVPMSA-N 263.469 4.621 30 10 CJEE CCCCCCCCC(=O)c1c(F)ccc(F)c1OC 312273944 NASQBVJLHGHLEP-UHFFFAOYSA-N 284.346 4.907 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)cc2F)C1 316623337 BHYVNJDHCFSZTI-LRDDRELGSA-N 282.786 4.807 30 10 CJEE C=C(CC)C[C@@H](NCC)c1cccc(OC(F)(F)F)c1 380129240 MTLGORFZMJWPQI-CQSZACIVSA-N 287.325 4.592 30 10 CJEE C=CCC(C)(C)COc1nc(Cl)nc2sc(C)cc12 381161126 VVBICWYVDMCBIX-UHFFFAOYSA-N 296.823 4.634 30 10 CJEE Cc1ccc([C@@H](C)N(C)[C@H](CC#N)c2ccccc2)s1 387431778 QGARSJPZBPLVLQ-GDBMZVCRSA-N 284.428 4.704 30 10 CJEE CC1CCC([C@]2(C#N)CCCc3ccccc32)CC1 388713577 VHOSVPIZGWOFIM-JFUPDXTOSA-N 253.389 4.611 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCC(C)C)cc1 393809533 ZEGMIADSJHITCY-DOTOQJQBSA-N 275.436 4.727 30 10 CJEE CCCCC1CCC([C@@H](O)CC#CC(C)(C)C)CC1 394100068 ZJWICUYIDPCFEQ-JCYILVPMSA-N 264.453 4.784 30 10 CJEE CCCCCCCCCNC(C)(C)COC(C)C 396410293 FXTHJSCSFNWVAF-UHFFFAOYSA-N 257.462 4.530 30 10 CJEE N#C[C@H](CSc1ccc(Cl)cc1Cl)C1CC1 397273281 YEXHUTVSDRSYEJ-SECBINFHSA-N 272.200 4.635 30 10 CJEE CCCCCCCCCC[C@@]1(F)CC[C@@H](C)NC1 399014680 COTRAYUNKRCRJI-HZPDHXFCSA-N 257.437 4.997 30 10 CJEE N#CCc1ccnc(-c2ccc(Cl)c(Cl)c2Cl)c1 514262750 DSEVJYSUFFWPGL-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@]1(CNCC)CCC[C@H](CC)C1 686695277 VSSROQPDAICOLJ-ROUUACIJSA-N 263.469 4.766 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(Cc2ccsc2Cl)C1 688036240 JIJDGCCBOPSZGB-BXUZGUMPSA-N 270.825 4.730 30 10 CJEE 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CC1(C)CCC[C@@H](CN(CC#N)C2CCCCCC2)C1 2203203746 NLGPJQPINRRSRQ-MRXNPFEDSA-N 276.468 4.751 30 10 CJEE C=C[C@@](C)(CC1CC(C)(C)CC(C)(C)C1)C(=O)OCC 2203218782 MTZOOOURKBURGQ-SFHVURJKSA-N 280.452 4.984 30 10 CJEE C#C[C@H](N[C@@H]1CCC2(CCCCC2)C1)C1CCCCC1 2203800296 IPLLMABSLMIBHF-MSOLQXFVSA-N 273.464 4.661 30 10 CJEE CCCCCCCC[C@H](NCC)c1nnc(C2CC2)s1 2204921173 AGGYUASWUMQELG-AWEZNQCLSA-N 295.496 4.817 30 10 CJEE C=C(CN1CCCC[C@]1(C)P(C)(C)=O)c1ccccc1 2205220788 XLCGAKXYPAXSTD-KRWDZBQOSA-N 291.375 4.525 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@H](O)C[C@H](C)CC 2206901286 AWCBHPAQMHVCIR-FGTMMUONSA-N 283.500 4.678 30 10 CJEE C=CCCCCCC[C@]1(N)c2ccccc2CC[C@@H]1C 2206903894 VYIWPFBASYGULX-QFBILLFUSA-N 271.448 4.950 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2CSC[C@@]2(C)C1 2207374018 NYWWRINRUPAFEO-QZTJIDSGSA-N 295.536 4.978 30 10 CJEE C=CCCCCCCCCCSc1n[nH]cc1C(=O)O 2207413107 IRAIMBYDILSBJQ-UHFFFAOYSA-N 296.436 4.507 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@H]1CCO[C@@H](C)C1 2207427058 IWGMJYSVIHRQBQ-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](CN)CC1CC1 2207443057 WQLPKWKPEXFTMC-KRWDZBQOSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)C(C)(C)C(F)F 2207443074 WUJAKUGWKUAWGQ-CQSZACIVSA-N 290.442 4.807 30 10 CJEE CCCCCCCC[C@H](CN)N(C)C1CCC(C)CC1 2207444672 LFVPTWNMNMEJTM-DAWZGUTISA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C[C@@H](CC)CC(F)F 2207456178 IPHLJQOHYQDZRP-KGLIPLIRSA-N 292.410 4.739 30 10 CJEE CCCCCCCC[C@@H](CN)N(CC)Cc1ccsc1 2207461142 NWRLAVRQNARDMF-KRWDZBQOSA-N 296.524 4.648 30 10 CJEE Cc1cc(Cl)cc(Cl)c1OC[C@@H](CS)C1CC1 2212908410 VREIQWDHNAUZHP-JTQLQIEISA-N 291.243 4.637 30 10 CJEE CCC=CCCOCC(CS)(CCC)CCC 2215337215 FTDVEPARAYYUPT-UHFFFAOYSA-N 258.471 4.876 30 10 CJEE C=CCCCCCCCN[C@H](CCC)C(F)(F)F 2220086250 DSAUFRRFPGMSEI-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE C=CC1(C[C@]2(O)CCC[C@H](C(C)(C)C)C2)CCC1 2222261529 SVERPMGFIUMETC-YOEHRIQHSA-N 250.426 4.700 30 10 CJEE CCCCCCCC[C@@H](C)NCc1coc(C)c1 2223848872 UHEDMZVEIQUCRV-CQSZACIVSA-N 251.414 4.817 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@H]1C[C@H]2CCC[C@H](C2)C1)NCC 2225338384 XHZFVDVTYRXMGW-JCECYMMASA-N 263.469 4.783 30 10 CJEE N#C[C@]1(CC2C[C@H]3CCC[C@H](C2)C3)C[C@H]2CC[C@H]1C2 2225373518 KHDPXUGLTFSVSN-FTAMUGHTSA-N 257.421 4.923 30 10 CJEE CC[C@@]1(C)CCSC(=NCCCCCCC2CC2)N1 2225810499 DPDSDVVTCDIETD-INIZCTEOSA-N 282.497 4.598 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](CC)OCC 2227270461 FJYCJXNKWZKFKX-IAGOWNOFSA-N 269.473 4.696 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccncc1CC 2227273691 HYZLDEUMVHXCCO-QGZVFWFLSA-N 260.425 4.561 30 10 CJEE C=CCCCCCCC[C@H](N)[C@H]1Cc2ccccc21 2227274088 JEQKPSAJVNZREO-ROUUACIJSA-N 257.421 4.570 30 10 CJEE C=CCCCCCCC[C@@H](C[C@@H](CC)COC)NC 2227287202 KWPUUJDWCLTNAC-SJORKVTESA-N 269.473 4.554 30 10 CJEE C=CCCCCCCCN1CCc2ccc(F)cc21 2227291730 UHPYFYORAGHWBH-UHFFFAOYSA-N 261.384 4.715 30 10 CJEE C=CC1(C[C@@H](Cc2cccc(Cl)c2Cl)NC)CCC1 2227509053 PTWYUPRUYZFPQP-CYBMUJFWSA-N 298.257 4.870 30 10 CJEE CCCCCCCCNCC1C[C@@H]2CSC[C@H](C1)C2 2228511286 CVMHJXYJOGQRKN-ALOPSCKCSA-N 283.525 4.716 30 10 CJEE CCCCCCCCC[C@]1(F)CCCCC12CNC2 2228939119 KMEIYFHJPQVVKP-KRWDZBQOSA-N 269.448 4.999 30 10 CJEE CCCCCCCCC[C@@H](N)c1nc(C)ccc1F 2229643488 OBPHWSBJNCCAEE-OAHLLOKOSA-N 266.404 4.670 30 10 CJEE CCCCCCCOC1(CCN[C@@H](C)CC)CCC1 2230180590 BYTPDDZQUSNYMR-INIZCTEOSA-N 269.473 4.674 30 10 CJEE C=CC[C@@H](C)Oc1ccc(CN[C@@H](C)CC)cc1Cl 2231584115 KSTPJODLJHRBPI-QWHCGFSZSA-N 281.827 4.572 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccnc(C)c1 2231946691 RSJVPVHYQLTZSK-OAHLLOKOSA-N 262.441 4.619 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCNC1CCC1 2234057947 PAYAILISJCVXCM-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE Cc1csc([C@H](O)[C@]2(C#N)CCCC(C)(C)CC2)c1C 2234231154 HJYNFLFIWRIAOQ-DOTOQJQBSA-N 291.460 4.899 30 10 CJEE N=[S@](=O)(CC#CC1CCCCC1)CCCCCC1CC1 2235456822 CNSSPXCUAPWYNG-HXUWFJFHSA-N 295.492 4.587 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CC[C@H]2[C@H](C1)C2(F)F 2235520552 ANTKYGWVLFIDCY-UGUYLWEFSA-N 285.422 4.912 30 10 CJEE C=CCCCCCCCC(=O)[C@@](C)(O)C[C@@H](C)C(F)F 2235539267 OHLYZPXTGNFDQG-CJNGLKHVSA-N 290.394 4.515 30 10 CJEE C=CCCCCCCC[C@@H](O)Cc1ccc(F)c(F)c1 2235542783 WEXLKGLGJZRVRB-OAHLLOKOSA-N 282.374 4.785 30 10 CJEE Cc1sc([C@H](O)[C@@]2(C#N)CCCCC23CC3)c(C)c1C 2236833780 OVUOYRKOKATAHH-RDJZCZTQSA-N 289.444 4.571 30 10 CJEE C#CCCCCC[S@](=N)(=O)CCCCCCCC1CC1 2239359145 MYUZMMQWJUXWOI-FQEVSTJZSA-N 297.508 4.977 30 10 CJEE CCCCCCCCCCOC[C@H]1CCC[C@H](NC)C1 2239492086 HHQKCIPHBAKJAG-ROUUACIJSA-N 283.500 4.922 30 10 CJEE CCCCCCCCCCCCOCC(=O)OC(C)C 2239500201 OLNRKOWHEQQZJW-UHFFFAOYSA-N 286.456 4.876 30 10 CJEE C=C[C@H](CCCCC)O[C@@H]1CC2(CCCC2)CC[C@@H]1N 2239502080 NONBTKZNFNKRJV-IXDOHACOSA-N 279.468 4.578 30 10 CJEE CCCCCCCCCCOC1(C(=O)O)CCCCC1 2239502898 PKCNJJJLMDQKGK-UHFFFAOYSA-N 284.440 4.931 30 10 CJEE CCCCCCCCCCOCC(F)(F)CNCCC 2239510514 NMZXCOOWTLRIIV-UHFFFAOYSA-N 293.442 4.779 30 10 CJEE C=CC[C@H](CN[C@@H](C)CC)Cc1coc2ccccc12 2241137829 ARZKSMAQJWPXDM-GJZGRUSLSA-N 271.404 4.556 30 10 CJEE C=C[C@H](C)CCN(C)Cc1ccc(Cl)c(Cl)c1 2251006872 JNMZNXPKCZACAX-NSHDSACASA-N 272.219 4.637 30 10 CJEE SCC1(CSC2CC3(CCC3)C2)CCCCC1 2251134931 NDLHNDLAWWGVON-UHFFFAOYSA-N 270.507 4.933 30 10 CJEE C[C@@H]1C[C@@H]1CCCC[C@@]1(C=O)CCCC(C)(C)C1 2254581083 FYUMALFCSPJMIE-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE C=CCCCCc1sc(CNCCC)c(C)c1C 2254666702 QHQRKFNXTXZAGV-UHFFFAOYSA-N 265.466 4.763 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1cc(C)c(Cl)cc1C 2257653863 WSBJTVQJCHDRBM-ZBEGNZNMSA-N 265.828 4.820 30 10 CJEE C=C(C)CCCCN(C)C[C@H]1CC[C@H](CC)CC1 2259176903 SAWYECCMEUXHOH-QAQDUYKDSA-N 251.458 4.881 30 10 CJEE C=C(C)CCCC[C@H]1CC(C)(C)CC[C@@H]1C(=O)O 2259187429 LLNYCIOSWZVLEQ-KBPBESRZSA-N 252.398 4.650 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@H]1CCCC(F)(F)C1 2259196719 NZLQBESFFSONAO-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C(C)CN(CC[C@H](C)CCCC(C)C)C1CC1 2259680624 FKTUGZCQFHFCOY-MRXNPFEDSA-N 251.458 4.879 30 10 CJEE C=C[C@H](C)CCN[C@H]1CCSc2ccc(Cl)cc21 2260399968 JHSSJWXLBWHLTB-FZMZJTMJSA-N 281.852 4.679 30 10 CJEE CC1CC2(C1)CC(S[C@@H]1CCCCC[C@H]1C#N)C2 2260489656 RSBJHMJTRIJUNN-HTASQGPOSA-N 263.450 4.771 30 10 CJEE CCCCCCC[C@@H](OCCN)c1sccc1Cl 2262374058 VOYJZDOYDYNFPM-CYBMUJFWSA-N 289.872 4.778 30 10 CJEE CC1CC(CS)(CN2CCCC[C@H]2c2cccs2)C1 2265308425 SKKQITBPHJLFOB-BBBYJDLNSA-N 295.517 4.621 30 10 CJEE CCCCN(CC1(CS)CC(C)C1)c1ccccc1 2265309572 IPGGJLHUOBCZLH-UHFFFAOYSA-N 277.477 4.639 30 10 CJEE CCCCCCCCC[C@@H](NC)C1(OC)CC(C)C1 2266348309 FZFOIYRJMHFDME-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C(F)(F)F)CC2)C1 2266543633 YCJDSVHQQNOGNZ-GRYCIOLGSA-N 291.382 4.781 30 10 CJEE CC(C)(C)C#CC=CCN[C@]1(C)CCCC(C)(C)C1 2268842589 VJLKVGQPJLTUFM-GOSISDBHSA-N 261.453 4.541 30 10 CJEE C=CCCCOC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 2269597152 BIQVSGIAYDGZRK-OAHLLOKOSA-N 280.795 4.589 30 10 CJEE C=CCCCS[C@H]1[C@@H](NCCC)CC(C)(C)C1(C)C 2271492222 ANSWUHPAGXDCID-GJZGRUSLSA-N 283.525 4.879 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1ccc2sncc2c1 2271791406 LYNKMXHZQXUJBG-OAHLLOKOSA-N 274.433 4.693 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)c1sc(C)cc1C 2274070109 GWNSZFNKMFOTHP-INIZCTEOSA-N 275.461 4.599 30 10 CJEE CCCCCCCCC[C@](C)(CCC)OCC(=O)O 2274753201 AEKFERMORFTTTK-INIZCTEOSA-N 272.429 4.787 30 10 CJEE CCCCCCCC1(OCCCN)CCC(C)CC1 2276752619 AEESBLPICAUKNN-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@](C)(CSCCC)OCCN 2277359262 JHDLVJACTASZKG-MRXNPFEDSA-N 289.529 4.614 30 10 CJEE CCCCCCCCC=C1CCN[C@@H](C(F)(F)F)C1 2277390128 KYBNBIISFLLQFP-CQSZACIVSA-N 277.374 4.978 30 10 CJEE CN(CCCCCCCS)C1C2CCCC1CCC2 2277500405 CWGDQYAWIAHIFU-UHFFFAOYSA-N 283.525 4.767 30 10 CJEE O=C(Cc1ccc(Cl)c(F)c1)C1=CCCCCCC1 2277807527 XBVNSFWYTFGVOA-UHFFFAOYSA-N 280.770 4.871 30 10 CJEE C=C1CCC(CC(=O)c2ccc3scnc3c2)CC1 2278613971 WAGZYCJFARZULY-UHFFFAOYSA-N 271.385 4.616 30 10 CJEE CCCCCCCOc1ccc(CNC(C)C)c(C)c1 2279042813 ZFHVZACJBGBNKM-UHFFFAOYSA-N 277.452 4.842 30 10 CJEE CCCCCCCC[C@H](O)[C@H](N)CCCC[C@@H]1C[C@H]1C 2280455483 LGKPWMQOJBWRSI-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCSc1ccccc1Nc1c(F)cccc1C#N 2280475923 HKOPDHUVYNVVFW-UHFFFAOYSA-N 286.375 4.943 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC1=CCCCC1)NCC 2281254463 QTBAPINDMVUCNS-ROUUACIJSA-N 281.484 4.576 30 10 CJEE CC(C)(C)C#CC=CC[C@H]1CCC[C@H]1CNC(C)(C)C 2284083321 FITOTEDWWVKTLF-IRXDYDNUSA-N 275.480 4.787 30 10 CJEE C=CCCCSC[C@H](NCC)c1cc2ccccc2o1 2287066438 WSBCXQKMUGPDOM-HNNXBMFYSA-N 289.444 4.783 30 10 CJEE C=CCCCCCCOc1ccc(C(=O)OC)cc1Cl 2287284362 WQGBFJLJSNRKLA-UHFFFAOYSA-N 296.794 4.642 30 10 CJEE C=C(C)CCCCOc1ccc(F)cc1[C@H](C)NCC 2287415549 VMJGKKNHRZCBFO-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@@]12CCC[C@H]1CC2 2289689971 IYBADOOGVBSSFG-IPMKNSEASA-N 273.464 4.519 30 10 CJEE CC(C)(C)c1ccc([C@H](O)C#CC2CCCCC2)cc1 2289775326 SIQJDLJHCGWYCL-GOSISDBHSA-N 270.416 4.601 30 10 CJEE CCCCCCCC[C@H](C)NCCC12COCC(C1)C2 2290347775 JLDTXYXNQLQFQV-AOCRQIFASA-N 281.484 4.532 30 10 CJEE CC=C(C)[C@@](C)(CCCCCCCC)OCCC(=O)O 2290993982 NIJZVBDUPFZMQK-QGZVFWFLSA-N 284.440 4.953 30 10 CJEE CCCCCC#CC[C@H](OCCN)C(CCC)CCC 2292839256 FFMFAOGNLRGKAM-SFHVURJKSA-N 281.484 4.521 30 10 CJEE CCCCCCC[C@H](C[C@@H]1CCCC1(F)F)OCCN 2293098507 SVBPNONPHRFUOS-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCCCCCC[C@H](OCCN)c1ccc(C)cc1 2293249170 RGEQDIUYSJPNSH-SFHVURJKSA-N 277.452 4.762 30 10 CJEE C=CCCCCCC[C@@](C)(OCCCN)[C@H]1CC1(C)C 2294017785 HYSDXFJGJYKKGG-FUHWJXTLSA-N 281.484 4.683 30 10 CJEE C=C(C)CC1(OCCN)CCC2(CCCCCC2)CC1 2294171079 UGDYKWCZHLISPJ-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCC[C@](C)(CC[C@@H]1CCC[C@@H](C)C1)OCCCN 2294184324 YOLXEEVRDQORAQ-FGTMMUONSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@]1(OCCN)C[C@H]2CCC[C@@H]21 2294461581 PJXBGCMHKYIHKV-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCN[C@@H](C#Cc1ccccc1Cl)C1CCCCCC1 2295196335 CIGUGBMKOCIENQ-SFHVURJKSA-N 289.850 4.640 30 10 CJEE C#Cc1ccc2c(ccn2CC[C@@H]2CCC[C@@H](C)C2)c1 2295204938 MILULOOFQUITSW-WBVHZDCISA-N 265.400 4.839 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1CCC[C@H](C)C1 2295521390 ATSFEQFKZODXTD-ZWKOTPCHSA-N 282.516 4.576 30 10 CJEE C#C[C@H](N[C@H](c1ccccc1)C1CCCC1)C(C)(C)C 2295713809 IJJPSZPVEGDEEJ-ZWKOTPCHSA-N 269.432 4.555 30 10 CJEE CCCCCCS[C@@H]1C[C@@H](C)C[C@@](C#N)(NCCC)C1 2295760647 DVNKHTOCLJFVOH-BRWVUGGUSA-N 296.524 4.750 30 10 CJEE C#CC[C@H](CSCC1CCC(C)CC1)C1CC1 2299029663 BVQMLMDPKQCJCO-ZBCRRDGASA-N 250.451 4.595 30 10 CJEE CC[C@H](C)N[C@H](C#N)c1c(Cl)ccc(Cl)c1Cl 2301288215 BTCLWKIQMCEJFN-OIBJUYFYSA-N 291.609 4.600 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(Cl)cc1F 2313644662 JUINBJHDUODARS-NSHDSACASA-N 267.775 4.651 30 10 CJEE C=CC[C@H]1CCC[C@@H]1Nc1c(N)ccc(Cl)c1Cl 2315457654 FLUVDXOIICDGPD-CABZTGNLSA-N 285.218 4.732 30 10 CJEE N#CCCCCCNc1cc(C2CC2)ccc1Cl 2316259780 CDRTYOFLLMJYFP-UHFFFAOYSA-N 262.784 4.713 30 10 CJEE C=CCC(CC=C)[C@@H](N)CSc1ccc(Cl)cc1 2316738064 CUSHBHXLOYMIKG-HNNXBMFYSA-N 281.852 4.528 30 10 CJEE C=CCC[C@H](C)NCCCc1cc(Cl)cc(Cl)c1 2318637737 UEZIDLJCKWEYJX-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE CCCCCCCN(C)C[C@@H]1CC[C@@H]1C(C)(C)C 2320201095 NLVQFKPYDGIIFC-HOTGVXAUSA-N 253.474 4.961 30 10 CJEE C=CC[C@H](C)[C@@H](NC)c1cc2cc(Cl)ccc2o1 2321145192 NTTRREYMKVYXPX-ZUZCIYMTSA-N 263.768 4.559 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)C[C@@H]1CCC=CCCC1 2321222855 KMPZJPCQGLIDPG-IKGGRYGDSA-N 250.426 4.866 30 10 CJEE CCCCCCC[C@@](C)(O)C1CC2(CC(F)C2)C1 2321495071 RPTPHHBGWMBGQT-MYLOQMAZSA-N 256.405 4.626 30 10 CJEE CC(C)(COC[C@@](C)(CS)C(C)(C)C)C(F)(F)F 2327106919 QXHZINVBOBPDDD-LBPRGKRZSA-N 286.403 4.574 30 10 CJEE CCCC[C@@H](CC)N(C)C[C@@](C)(CS)C(C)(C)C 2327277874 HXRLKCFGOJJXFW-ZBFHGGJFSA-N 273.530 4.869 30 10 CJEE CC(C)C[C@@H](CS)COc1cccc2sccc12 2328523761 RSGFXBOQELBUDT-GFCCVEGCSA-N 280.458 4.872 30 10 CJEE CCCCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1CCC 2333170803 PRGDUORASSZDMU-KZNAEPCWSA-N 263.469 4.765 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1CC[C@H]2C[C@H]2CC1 2338744681 PVALZIKPXQFOSD-MHORFTMASA-N 261.453 4.559 30 10 CJEE N#C[C@]1(CC2CCCCCC2)CCc2ccccc21 2339067161 LKEGCTDNTSKGAK-GOSISDBHSA-N 253.389 4.755 30 10 CJEE C=C1CC(CCCC2=CCCCC2)(CNC2CC2)C1 2341098486 MHSWLNJJNFLXTO-UHFFFAOYSA-N 259.437 4.746 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(C)cc1SC 2342327749 DQBNRCVHLZBDJX-RHSMWYFYSA-N 277.477 4.970 30 10 CJEE C=CC[C@@](C)(NC[C@H]1CCC(C)=C(C)C1)C(F)(F)F 2343473038 RYFDXRCOZIKPQI-UONOGXRCSA-N 275.358 4.610 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)NCCC 2344337057 NUCZYERIJBFGGQ-LTIDMASMSA-N 263.469 4.783 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cc(Cl)ccc2o1 2344342649 AEFKMLICCJKIPU-ZBEGNZNMSA-N 277.795 4.949 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1cc2cccc(C)c2o1 2344346661 VFTYUOYRTUKOCX-LRDDRELGSA-N 257.377 4.604 30 10 CJEE CC1(C)CCC[C@@](C=O)(C2CC3(CC(F)C3)C2)CC1 2344919830 SZKZECOTYGNDNX-UJCFSERGSA-N 266.400 4.690 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C)c(O)c1 2344969380 ZKPBMXHQVLIRGV-HNNXBMFYSA-N 263.425 4.539 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(C#N)c(Cl)c1)C2 2354150671 MCMWYUULHRKPHW-KMFMINBZSA-N 288.822 4.982 30 10 CJEE CC(C)[C@@]12CC[C@H](Nc3cc(Cl)c(F)cc3C#N)[C@@H]1C2 2356129318 MNNPHCHUZHDIRP-PJODQICGSA-N 292.785 4.587 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@H](NC)c1ccc(C)cc1 2360336148 HSMWPHLDIHFSGT-QAPCUYQASA-N 289.488 4.898 30 10 CJEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CCCCCCC2)C1 37146723 CIZMTYFSQVYGHI-YESZJQIVSA-N 276.468 4.607 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2cccc(Cl)c2)cc1 57685841 NFBLXYMWAOFXLR-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE COc1ccc(C(C)C)cc1[C@@H](C#N)Cc1ccc(C)cc1 57723396 RYIGDEBGTQYYNL-GOSISDBHSA-N 293.410 4.977 30 10 CJEE CCc1ccc(OC)c([C@H](C#N)[C@H](C)c2ccccc2)c1 57746932 WRIKBBLEMMGSJQ-RDTXWAMCSA-N 279.383 4.668 30 10 CJEE CCCCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N 59472174 QZVYTJMNPLWTOU-ZDUSSCGKSA-N 289.379 4.627 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(F)c(F)c1 59526364 NGLXUTJBDFQSSD-UHFFFAOYSA-N 284.346 4.525 30 10 CJEE CCC[C@H]1CCCN([C@@H](CC#N)c2ccccc2)CC1 79378589 IJPJLAKLEFLYSX-WMZOPIPTSA-N 270.420 4.544 30 10 CJEE CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1Nc1cccc(Cl)c1C#N 80150590 KVNBEUACFDQIIZ-UXEPBGEESA-N 288.822 4.838 30 10 CJEE C=C(C)C[C@H](NCCC)C1(c2ccccc2)CCCC1 92129618 TUEMWZRUACTEEX-SFHVURJKSA-N 271.448 4.833 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1ccc(C2CC2)cc1 94521349 WFSAGMIZVYCOLS-KRWDZBQOSA-N 282.774 4.894 30 10 CJEE C=C(CC)C[C@H](CCc1ccc(C)cc1)NCCC 97284090 IJHMPPQBTNEOQQ-SFHVURJKSA-N 259.437 4.652 30 10 CJEE COc1cccc(N(C)CCCCCCCCCS)c1 97799344 GWHPJLGLUZOINC-UHFFFAOYSA-N 295.492 4.792 30 10 CJEE CCCCCCCOCc1cc([C@@H](C)N)ccc1OCC 103019580 JILCUEXDPHCLIY-OAHLLOKOSA-N 293.451 4.592 30 10 CJEE CCCCCCC[C@@H](NC1CC1)c1nc(C)cs1 104446828 IVZIUUKULKDATA-CQSZACIVSA-N 266.454 4.605 30 10 CJEE CCCCCCCC[C@@H](N)c1ccc2ncccc2c1 109013515 CXHWRXAYENGABV-QGZVFWFLSA-N 270.420 4.985 30 10 CJEE CCCCCCCCCCOC(=O)c1ccc(N)cc1F 109895787 PEGZSRQQFKZUAU-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE C=CCOc1ccc(CNc2c(C)cc(C)cc2C)cc1 109899052 JRAMKHYWTHTVJJ-UHFFFAOYSA-N 281.399 4.789 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1ccccc1C 109907868 OJHINPLTAOXMDL-KRWDZBQOSA-N 261.453 4.876 30 10 CJEE CCCCCCCCOC[C@H](NC)c1ccccc1C 110083869 JLNATZFDPTZDOU-SFHVURJKSA-N 277.452 4.633 30 10 CJEE CCCCCCCCO[C@H]1CCc2ccccc2[C@H]1NC 110083948 JYFOPESLMJZSGY-RBUKOAKNSA-N 289.463 4.639 30 10 CJEE C=C[C@H](C)Oc1ccc2ccccc2c1CNCC(C)C 110099235 BWNUTQRUGUTPEK-HNNXBMFYSA-N 283.415 4.539 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)C1CCCCC1 110917772 KUYULAZKEVWFTJ-LLVKDONJSA-N 262.784 4.592 30 10 CJEE C[C@@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1)C(C)(C)C 111650383 FYLJAOOMZQZGLO-FZMZJTMJSA-N 277.795 4.589 30 10 CJEE CCCCCCCCOc1cc(C#N)c2ccccc2n1 111839186 OQABJKYVPLUTCL-UHFFFAOYSA-N 282.387 4.846 30 10 CJEE CCCCCCCN1CC[C@H](NCCC)c2ccccc21 112726271 RYAYHDDYEQYRRB-SFHVURJKSA-N 288.479 4.908 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)s1 113317468 OUKOSYFIBDTCNS-QMMMGPOBSA-N 280.755 4.585 30 10 CJEE CCCCCCCN1C[C@@H](CCC)NCC1(CC)CC 115223035 PPIVXKBYHYPNQC-QGZVFWFLSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@H](O)Cc1cccc(C(F)(F)F)c1 115653625 LMZVDKGGQRBANK-OAHLLOKOSA-N 288.353 4.969 30 10 CJEE CCCCCCCCn1ccc2cccc(CNC)c21 116491409 LLPUHJZCJDPGRM-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE CCCCCCC[C@@H](NN)c1cc2sccc2s1 122325952 NFZBDZXMAXIELR-LLVKDONJSA-N 282.478 4.828 30 10 CJEE CCCCCCCC[C@@H](NN)c1sccc1CC 122365992 OAGVDMBTUYWPPA-CQSZACIVSA-N 268.470 4.566 30 10 CJEE CCc1ccsc1CNc1cccc(SC)c1C#N 127084081 HQEFQVGRRQHIRY-UHFFFAOYSA-N 288.441 4.516 30 10 CJEE CCCCCCCCCCNc1cc(C)c([N+](=O)[O-])cn1 129412870 SPAHLEFRBMAELC-UHFFFAOYSA-N 293.411 4.851 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C2(O)CC(C)(C)CC(C)(C)C2)C1 129931283 OPIDZVLPFRTROK-WMLDXEAASA-N 277.452 4.674 30 10 CJEE CCCCCCCCCCCC[C@H](O)C1CCNCC1 131680261 XVUMHPROHCPYAP-SFHVURJKSA-N 283.500 4.658 30 10 CJEE C=C(CNc1ccc(C(C)C)cc1)c1ccccc1 134356177 AMAMWFWUBUONBY-UHFFFAOYSA-N 251.373 4.935 30 10 CJEE CCSc1cccc(O[C@@H]2CCCC[C@@H]2C)c1C#N 136699927 ZUSIBDBWTALGIR-GXTWGEPZSA-N 275.417 4.628 30 10 CJEE CCCCCCC[C@H](O)[C@@H]1CCOC2(CCCCC2)C1 148574498 NHZUASXUMCKIPG-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCCCOC[C@H](NCC)C1CCCCC1 157568025 HMFIZJMMGVHWLL-SFHVURJKSA-N 283.500 4.922 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1cccc(F)c1 157901369 JMDRSEZJIJEONC-HNNXBMFYSA-N 265.416 4.707 30 10 CJEE Cc1c(F)cc(C#N)cc1N[C@H](C)CCCC(F)(F)F 163315391 PJFYDDBABKBTEH-SECBINFHSA-N 288.288 4.539 30 10 CJEE CCCCCCCCCCC(=O)C1(N)CCCCC1 166968214 YJVQBPQIIDXQNK-UHFFFAOYSA-N 267.457 4.748 30 10 CJEE CCCCCCCCCCCCOCCCNC 214003296 FJXLXEMAPLHRTC-UHFFFAOYSA-N 257.462 4.533 30 10 CJEE Cc1cccc(C#N)c1Oc1cc(Cl)ccc1Cl 221135628 OJBALICHALVSNB-UHFFFAOYSA-N 278.138 4.966 30 10 CJEE CCCCCCCCCCC(=O)[C@H](OC)C1CC1 227416659 MYSGWINHHANPBQ-MRXNPFEDSA-N 254.414 4.511 30 10 CJEE C=CC[C@@H](NCCC)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 228821579 WMQXKBLDTHICFQ-HYLCPLCXSA-N 261.453 4.537 30 10 CJEE C=CCCCCC[C@H](NCCC)c1cc(C)nc(C)c1 231667817 WXECLNAOLSHDAN-SFHVURJKSA-N 274.452 4.876 30 10 CJEE CCCCCCCCCCCC[C@@H]1COCC[C@H]1N 232949679 YWEONYHISNQHML-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](CN)N(C)[C@@H](C)C(C)(C)C 232962104 JCMYWAXKYBGIKU-IRXDYDNUSA-N 284.532 4.821 30 10 CJEE C=CCCCCCSc1cccc(CNCC)c1 233516708 PCMIPPHXPGTYBP-UHFFFAOYSA-N 263.450 4.635 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](C)C1 233539870 WAVNQRCPUYQSGR-ZACQAIPSSA-N 251.458 4.927 30 10 CJEE CSc1cccc(N[C@@H]2CCC[C@H](C)CC2)c1C#N 235098725 NLWMCRHBHOCANN-QWHCGFSZSA-N 274.433 4.661 30 10 CJEE C=CCCCCC[C@@H](N)[C@H]1CCCc2sccc21 236315347 MIDJUEHJYAGYSO-DZGCQCFKSA-N 263.450 4.632 30 10 CJEE CCC(=NO)c1ccc(O[C@H]2CCC[C@@H](CC)C2)cc1 252464188 KXDSFWKJGZALMA-CJNGLKHVSA-N 275.392 4.623 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]1CC 297662200 FBTBAIJBMGGADF-HNNXBMFYSA-N 286.419 4.555 30 10 CJEE C=CCSc1cc(Cl)ccc1CNC(C)(C)C 302395166 GMEUQDJSZLFUKI-UHFFFAOYSA-N 269.841 4.506 30 10 CJEE CC(C)C[C@H](C)[C@@H](C#N)c1cccc(Br)c1 304578803 YCOKRAVITJFHLG-SMDDNHRTSA-N 280.209 4.738 30 10 CJEE N#Cc1ccc(NCc2c(Cl)cccc2Cl)cc1F 307923334 JWPZDJWOGOZISQ-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cc(Cl)ccc2Cl)O1 311151706 NHOZZVRMBYCWFL-KBPBESRZSA-N 284.186 4.691 30 10 CJEE SCC1(CN2CCC3(CCCC3)C2)CCCCCC1 311404821 WOXYFZIOEGQJSE-UHFFFAOYSA-N 281.509 4.523 30 10 CJEE C=C([C@@H](NCCC)c1cc2ccccc2o1)C(F)(F)F 312249598 IVDJYSXWGIHGJN-CQSZACIVSA-N 283.293 4.592 30 10 CJEE CC[C@H]1CC[C@@](C=O)(CCc2ccc(Cl)cc2)C1 316705306 BOBPSRAPIYZVGN-XJKSGUPXSA-N 264.796 4.668 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@@]2(C#N)CCCC[C@H]2C)CC1 384803231 YRRWOOHARJBMHM-BRSBDYLESA-N 277.452 4.818 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H](C)CCOC 386253765 LMTXXWRBEQCDMD-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc2sccc2c1 386426545 MJRPNXORJZAGSB-OAHLLOKOSA-N 259.418 4.908 30 10 CJEE C=CC[C@@H](CNC(C)C)Cc1ccc(Cl)c(Cl)c1 387198754 QFYONSHGENMMMT-CYBMUJFWSA-N 286.246 4.726 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1CCC[C@H](C)C1 388603270 AASATNHJIHVNIX-YESZJQIVSA-N 263.469 4.621 30 10 CJEE CCCCCCCCNCC[C@@H]1C[C@H]2CC[C@H]1C2 394202146 QHWRVGPQXRFFCY-YESZJQIVSA-N 251.458 4.763 30 10 CJEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc2ccsc12 395269373 AVNACCKAPNXYFV-KGLIPLIRSA-N 270.401 4.786 30 10 CJEE CCCCCCCC[C@H](CCOC(C)C)NCCC 395424354 VUAPPFMQRGLTIT-QGZVFWFLSA-N 271.489 4.920 30 10 CJEE Fc1cc(C(F)F)c(F)cc1SC(F)(F)F 396110278 PEKPZBFNPYYXEP-UHFFFAOYSA-N 264.165 4.514 30 10 CJEE N#CCc1cc2c(C(F)F)cc(Cl)cc2s1 396197979 ZXXFWNJPCYOTJR-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Sc1nccc2ccccc12 401652944 HUSITPVOYXMEHI-GOEBONIOSA-N 282.412 4.799 30 10 CJEE C[C@H]1CCC[C@H](SCc2ccc(C#N)c(F)c2)C1 404743602 IXWFZLGSCOWTMS-FZMZJTMJSA-N 263.381 4.509 30 10 CJEE C=CCCCCCN(C)Cc1csc(C(C)(C)C)n1 606902744 ZIYFTYVDHXSMCF-UHFFFAOYSA-N 280.481 4.619 30 10 CJEE C=CCCC[C@H](C)N1CCC[C@H](c2nc3ccccc3o2)C1 678714693 JVYMTROINFVDDT-HOTGVXAUSA-N 298.430 4.752 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@H]3C[C@@H]32)c1C#N 694314334 XASMADFMKCINGX-IHRRRGAJSA-N 286.444 4.518 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](N)CC(C)(C)C 696083441 GZGJJCKJJRVBBH-JKSUJKDBSA-N 271.489 4.642 30 10 CJEE CCCCCCCC[C@H](O)[C@H]1CCNc2ccccc21 696978255 OJKZTBUCUYICOR-WMZOPIPTSA-N 275.436 4.697 30 10 CJEE C#C[C@H](NCCCCCCCCCC)C(C)(C)C 702310672 MGEUKOWXJFMROS-INIZCTEOSA-N 251.458 4.765 30 10 CJEE CCCCCCC[C@@H](N)c1ccc2ccncc2c1 702698546 GNNGGINAQJYTEF-QGZVFWFLSA-N 256.393 4.595 30 10 CJEE CCCCCCCCCCCC[C@@H](NN)c1ccsn1 705401733 AQWUBNUSEZKYIB-OAHLLOKOSA-N 297.512 4.959 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@H]2CCCC[C@@H]21 714275405 KBZIJJQLNZWKKS-BYCMXARLSA-N 274.795 4.592 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1CCCCCC1(C)C 718961361 LEAWXUOONRPSTR-HNNXBMFYSA-N 264.457 4.655 30 10 CJEE C=CCC1(C=NNc2cccc3ccccc23)CCOCC1 872347212 JTMJLXFKNDLEQE-UHFFFAOYSA-N 294.398 4.610 30 10 CJEE CSc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 1084497732 CVAVAVCIXCUWCF-UHFFFAOYSA-N 290.819 4.816 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCCCCCC1 1130904174 IFTUEZPEIDFOQE-WBVHZDCISA-N 277.452 4.598 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 1136952652 CSPJCHMHYIVRKB-VQIMIIECSA-N 299.458 4.897 30 10 CJEE C=CCCCCN1CCCC[C@@H]1c1ccc(F)cc1F 1167772714 XQKHWAWSIFCPMS-QGZVFWFLSA-N 279.374 4.848 30 10 CJEE C=CCC1(CNCCc2cc(C)cc(C)c2)CCCC1 1205789561 PQGCYXLCZZQVQS-UHFFFAOYSA-N 271.448 4.572 30 10 CJEE C=CCC[C@H](CCC)N[C@H]1CCC[C@@H]1C(C)(C)C 1206247245 HPHYFLZTYAZXEJ-JYJNAYRXSA-N 251.458 4.926 30 10 CJEE C=CCCCCNC(=O)c1cc(Cl)cc2ccccc12 1270033945 VFEWDKXPKZMYPP-UHFFFAOYSA-N 287.790 4.579 30 10 CJEE C=CC[C@@H](CC)NC(=O)[C@H](CC1CCCCC1)C(C)C 1270621764 AUYASPNTHLBJAQ-IAGOWNOFSA-N 279.468 4.700 30 10 CJEE C#CCCCCCC(=O)Oc1ccc2ccc(C)cc2c1 1289492637 NSYIQYDJZSQZHC-UHFFFAOYSA-N 280.367 4.637 30 10 CJEE C=CC[C@H]1CC[C@H](NCc2cccc(SCC)c2)C1 1308423903 IFFGCRGIVCZWLJ-HOCLYGCPSA-N 275.461 4.633 30 10 CJEE C=CCCc1ccccc1N[C@H]1C[C@@H](OCC)C12CCC2 1308712904 DYCYYHZXFOBDDF-ZWKOTPCHSA-N 285.431 4.565 30 10 CJEE C=CC(C)(C)CC(=O)Oc1ccc(Cc2ccccc2)cc1 1358244309 ZMEFRKGQMQQDLI-UHFFFAOYSA-N 294.394 4.785 30 10 CJEE CC#CCCCC(=O)OCCCc1cccc2ccccc12 1456713402 ZOBCAJHRNJLXAR-UHFFFAOYSA-N 294.394 4.509 30 10 CJEE C=CCCCCCCNC(=O)c1cccc(C)c1Cl 1459913869 JMUVJVXGYCIIGP-UHFFFAOYSA-N 279.811 4.515 30 10 CJEE C=CCC1(CNC(=O)[C@H](C)CC2CCCCC2)CCCC1 1460028625 ZFXRXDVOVGIIMT-MRXNPFEDSA-N 291.479 4.846 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@H](C)c1ccccc1 1461535439 WYZZXSNIDPGXBO-QXAKKESOSA-N 299.458 4.821 30 10 CJEE C(#Cc1ccccc1)CN1CCC(CC2CCCCC2)CC1 1474728414 WLILDDMCWPBDAV-UHFFFAOYSA-N 295.470 4.721 30 10 CJEE C=CCC1(NC(=O)C[C@@H]2CCCCC2(C)C)CCCCC1 1521567628 VJKUQHKAHCPPGV-INIZCTEOSA-N 291.479 4.988 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H](CC)c2ccccc2)CCCC1(C)C 1530839219 JIJDGFNGLYWVJS-MSOLQXFVSA-N 299.458 4.774 30 10 CJEE C=CCCCC(=O)N1C[C@@H](C(C)(C)C)Cc2ccccc21 1535360958 WSZXDUAWQAXOIK-INIZCTEOSA-N 285.431 4.594 30 10 CJEE C=C(C)CCN1CCC[C@H]1c1cccc2ccccc12 1559497868 NVUXQASFTCEOMG-IBGZPJMESA-N 265.400 4.943 30 10 CJEE C=CCn1ncc2ccc(NCC(CC)(CC)CC)cc21 1561028604 NXTGETWFJCPBBL-UHFFFAOYSA-N 285.435 4.851 30 10 CJEE C=CC1(CC(=O)N(c2ccccc2)[C@H]2C[C@H]2C)CCCCC1 1597127600 QPBBRCNYNGXYRS-AEFFLSMTSA-N 297.442 4.955 30 10 CJEE C=CCC(C)(C)CNc1cc(C(C)(C)C)nc(C(C)C)n1 1612423150 PWIXZHIUMFPGEQ-UHFFFAOYSA-N 289.467 4.912 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)c1 1618533749 KHPDRRNOIPHYAP-AZUAARDMSA-N 291.394 4.636 30 10 CJEE C=C(CC)CN1CC[C@H](c2ccccc2Cl)C1(C)C 1644308868 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1666304332 GQPMWWJFMDVJTB-UHFFFAOYSA-N 294.826 4.762 30 10 CJEE c1ccc(C(ON=C2CCCC2)c2ccccc2)cc1 1860465140 MWEGKXOWDWVVON-UHFFFAOYSA-N 265.356 4.723 30 10 CJEE CC[C@H]1CC[C@H](CN(C)C[C@@H](CS)C(C)(C)C)CC1 1877937045 JDJONPYXYPOSCB-JYJNAYRXSA-N 285.541 4.727 30 10 CJEE CCCCC[C@@H](CC)N[C@H](C)c1cccc(C#N)c1 1879157974 JUHNCHUUBBCHLF-RHSMWYFYSA-N 258.409 4.568 30 10 CJEE C=C1CCC(C[S@](=N)(=O)Cc2ccccc2Cl)CC1 1879721875 XOSZRHNSDRAENA-IBGZPJMESA-N 297.851 4.633 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1[C@@H](C)C1(F)F 1883836309 ZEVDEPQLZQEXRJ-HUUCEWRRSA-N 275.427 4.960 30 10 CJEE C=CC[C@H]1CCCCN(C[C@@H]2C[C@@H](C)C[C@@H](C)C2)C1 1884663654 BLIVQPADPIXPHD-XWTMOSNGSA-N 263.469 4.737 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccc(C(C)C)cc1 1885236146 KFQUTGPDNZBGPV-GOSISDBHSA-N 257.421 4.654 30 10 CJEE C#CC[C@@H](C[C@H](NCC)c1ccc(SC)s1)C1CC1 1887464806 PLPCLHFCFXTJEJ-KBPBESRZSA-N 293.501 4.560 30 10 CJEE C=C(c1ccccc1)C1(O)CCC(C(C)(C)C)CC1 1888706652 ZRFNOIVQJSWAII-UHFFFAOYSA-N 258.405 4.667 30 10 CJEE 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CJEE C=CCCCCC[C@]1(OCCC(=O)O)CCCC[C@@H]1C 2292703244 UKUKJTVODMFMBV-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=C(C)CCCC[C@]1(OCCC(=O)O)CCCC[C@@H]1C 2292720954 HCJMZUMYLGEXMB-RDJZCZTQSA-N 282.424 4.563 30 10 CJEE C=CCCC[C@]1(OCCCN)CCCCC12CCCC2 2292736259 DTQYZATXEZESLX-SFHVURJKSA-N 279.468 4.581 30 10 CJEE C=CCC[C@@H](C)[C@@H](OCCCN)C1CCCCCCC1 2293139693 UJWHGISKBLBKSE-SJLPKXTDSA-N 281.484 4.683 30 10 CJEE CCCCCCC[C@]1(OCCN)CC[C@H]2CCCC[C@@H]21 2293669465 IKBHXSATEVWHEA-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE CCCCCCCCC[C@@]1(C)[C@H](NC)CCN1CCC 2295679237 NTQZZECQCDBLEM-MSOLQXFVSA-N 282.516 4.590 30 10 CJEE CCCCCCS[C@@H]1C[C@@H](C)C[C@](C#N)(NC2CC2)C1 2295694001 LQKBONALCPXNOG-OIISXLGYSA-N 294.508 4.503 30 10 CJEE Cc1ccc(SC=CC(=O)c2ccc(C)cc2)cc1 2297565430 MXMKTXBXUBSKSD-UHFFFAOYSA-N 268.381 4.792 30 10 CJEE O=C(C1=CCCCC1)c1c(Cl)cc(F)cc1Cl 2298981793 LNRKNWWMZLDURJ-UHFFFAOYSA-N 273.134 4.816 30 10 CJEE O=C(C=Cc1cnc(C2CCCC2)s1)c1cccs1 2301064622 VBUHLYLDNPNMIQ-UHFFFAOYSA-N 289.425 4.758 30 10 CJEE CCCCCCCCC1(N)C[C@H](C)S[C@@H](C)C1 2301704908 RDGQQKXZKSZLFZ-KBPBESRZSA-N 257.487 4.739 30 10 CJEE C=C(C)C[C@H](NCC)c1ccc(Br)cc1CC 2302874291 UXYAVWLJGMJBGN-HNNXBMFYSA-N 296.252 4.628 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccccc1Cl 2304034798 GPLQVUAIBVJOOK-LSDHHAIUSA-N 251.801 4.593 30 10 CJEE C=CCC(CC=C)[C@@]1(O)CCC[C@@H](C(C)(C)C)C1 2316713877 BBCKHTDSROAKBH-NVXWUHKLSA-N 250.426 4.722 30 10 CJEE CCC[C@H](CS)CO[C@H](CCC)c1ccccc1 2318158035 XBFQHNUPEARSNS-GOEBONIOSA-N 266.450 4.891 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@H]1C[C@H](F)C1 2327425285 IFKNDNOCMLJAKZ-JYJNAYRXSA-N 256.405 4.792 30 10 CJEE C=CCCCCCCCCNC[C@@H]1C[C@H]2C=C[C@@H]1C2 2333365116 CVROMXCWPRBVCP-KSZLIROESA-N 261.453 4.705 30 10 CJEE C=CCC(CC=C)Sc1ccc(C[C@@H](N)CC)cc1 2335192822 AJFLTGHTJPYQNJ-HNNXBMFYSA-N 275.461 4.579 30 10 CJEE C=CCCC[C@H](NCCC)c1ccncc1C(C)C 2338614183 ZLJHJUKEZWFTGC-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)C(=O)c1cc2cc(C)ccc2o1 2338732534 KDLHISOVBRLLGJ-UHFFFAOYSA-N 254.329 4.692 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCC[C@@H](C)C1 2338733550 TXXMUMDHXREEMC-NXHRZFHOSA-N 263.469 4.949 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(F)c(C)c1Cl 2338737387 CXOKORBBFOHTGJ-INIZCTEOSA-N 281.802 4.816 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1cc2ccccc2s1 2338739539 WRAORLWFXLNGPD-QGZVFWFLSA-N 271.429 4.930 30 10 CJEE CC(C)[C@H](C)[C@@H](C)[C@]1(C#N)CCOC12CCCCC2 2340244203 FZESLWNNXULACF-ARFHVFGLSA-N 263.425 4.548 30 10 CJEE C#CCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341109185 BPWCBPALKDPJIW-INIZCTEOSA-N 298.257 4.708 30 10 CJEE CC1=C(C)C[C@H](COCC2(C#N)CCCCC2)CC1 2343292529 JYBZMNHJDAJTRU-MRXNPFEDSA-N 261.409 4.614 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC 2344385596 QJJOYHCDARYDFH-FLXSYLCISA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)CC(F)(F)c1ccccc1 2344462755 BELLTKRQIVENDL-GJZGRUSLSA-N 268.347 4.522 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccccc1C(F)(F)F 2344464059 IAHZJERHLJHSKN-UONOGXRCSA-N 272.310 4.731 30 10 CJEE C=C1CC(CC[C@H]2CCC(C)(C)C2)(CNC(C)C)C1 2344877791 PRMRSMCNLSTPNF-MRXNPFEDSA-N 263.469 4.927 30 10 CJEE C=C[C@@](N)(CC[C@H]1CCC(C)(C)C1)c1ccccc1 2344889031 OCLFZUJPFHQMTK-CRAIPNDOSA-N 257.421 4.633 30 10 CJEE CC1(C)CC(CS)(COCC[C@@H]2CCCC23CC3)C1 2344976394 DZKUYCOEDSTWKI-AWEZNQCLSA-N 282.493 4.710 30 10 CJEE C[C@@H]1C[C@H]1CCCCN(C)C[C@](C)(CS)C(C)(C)C 2352077759 GGJURFQLRJYFQQ-BFYDXBDKSA-N 285.541 4.727 30 10 CJEE CC(C)C[C@@H]1CC[C@H]1N(C)C[C@](C)(CS)C(C)(C)C 2352077963 GPCIGDUWSSSGBV-ZMSDIMECSA-N 285.541 4.725 30 10 CJEE CCC1C[C@@H]2CC[C@H](C1)N2C[C@@](C)(CS)C(C)(C)C 2352101782 XSWDSXUVRBKFOO-BTFYYFJDSA-N 283.525 4.622 30 10 CJEE C[C@H](c1ccccc1)N(C)C[C@](C)(CS)C(C)(C)C 2352294727 OLCFGHXGAITJQQ-RHSMWYFYSA-N 279.493 4.662 30 10 CJEE CC[C@@H](Nc1ccc(C#N)c(SC)c1)c1cccs1 2353831058 HCLJQNUFLQVRED-CYBMUJFWSA-N 288.441 4.905 30 10 CJEE N#C[C@@]1(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC12CC2 2355394236 ZILDTOJTUBFDMP-NYTXWWLZSA-N 279.374 4.922 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC[C@@H]2C[C@H]1CO2)NCC 2359077312 PVQZBEJTKPGYKE-VSZNYVQBSA-N 281.484 4.530 30 10 CJEE CSc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 247462 GLBIHCXXCXGIRI-OKACTXMXSA-N 286.440 4.961 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)s1 36973192 MVGHNWVANBYUGG-JTQLQIEISA-N 276.792 4.755 30 10 CJEE CC(C)CC[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F 36973646 KARKEBMDBCXUMB-LLVKDONJSA-N 284.325 4.814 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1cccc(Cl)c1Cl 37937878 LDCKUGIUDYJZQX-CQSZACIVSA-N 291.181 4.979 30 10 CJEE CCCN[C@](C)(C#N)CCCCSc1cccc(C)c1 45366538 SVZTZIQFXWHKJX-KRWDZBQOSA-N 290.476 4.539 30 10 CJEE CC(C)[C@@H](N[C@H]1CCCCC[C@@H]1C#N)c1cccs1 54827161 MJQKWECNYAYXOH-IJEWVQPXSA-N 276.449 4.507 30 10 CJEE CCOc1ccc(C[C@@H](C#N)c2cc(C)ccc2C)cc1 57755565 QROHFYCXSHYQID-KRWDZBQOSA-N 279.383 4.552 30 10 CJEE CCCCCCCCCNCc1ccc(F)cc1 59055624 SSEQXDQVEYGIRA-UHFFFAOYSA-N 251.389 4.666 30 10 CJEE N#Cc1cccc(/N=C/c2c(Cl)cccc2Cl)c1 59513863 GUCMTXGYKNGWPN-GIJQJNRQSA-N 275.138 4.616 30 10 CJEE N#Cc1ccc(Nc2cccc3cccnc23)c(Cl)c1 62793547 ZUGIZDJCVPHIFT-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N/C(=N\c1c(Cl)cc(Cl)cc1Cl)C1CCCC1 62988049 GBGNJRHTOHDZAB-UHFFFAOYSA-N 291.609 4.826 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 71108019 DOJURXUXLHPABN-WCQYABFASA-N 262.784 4.592 30 10 CJEE C=CCCCNc1cc(C(F)(F)F)ccc1Cl 71275298 FZNIQPVGVJUBKJ-UHFFFAOYSA-N 263.690 4.737 30 10 CJEE Cc1ccc(C)c(Sc2nc3ccccc3cc2C#N)c1 71390675 TZCKFKCGWLFKBZ-UHFFFAOYSA-N 290.391 4.875 30 10 CJEE CC(C)[C@@H](CS)CN(C)[C@@H](C)c1cccc(Cl)c1 94579573 OOCDUJOBPYOFLQ-GXTWGEPZSA-N 285.884 4.535 30 10 CJEE C[C@@H]1c2ccsc2CCN1CC1(CS)CCCCC1 94580124 HFVITZLMOOQNGK-CYBMUJFWSA-N 295.517 4.548 30 10 CJEE CCCCN(CC(CC)(CC)CS)[C@H](C)CC 94581552 RWGMRXFESAZKMU-CQSZACIVSA-N 259.503 4.623 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc3ccccc3[nH]2)C1 94629359 OPFJNYCXSBCNLM-OSAQELSMSA-N 270.401 4.588 30 10 CJEE SCC1(CSc2cc3ccccc3[nH]2)CCCC1 94631076 MBOQZJVLMQQEKD-UHFFFAOYSA-N 277.458 4.750 30 10 CJEE N#Cc1ccc(Cl)c(NC(=O)C2CCCCCCC2)c1 94820381 DVYRQPYBKSQZKD-UHFFFAOYSA-N 290.794 4.511 30 10 CJEE C=C(CC)C[C@@H](NC)C1(c2ccccc2)CCCCC1 97208725 QNSQTHBBNYIHNU-GOSISDBHSA-N 271.448 4.833 30 10 CJEE CCCCCCCCCNCc1ccc(F)cc1F 103465609 DNIVCEFPSCGWGP-UHFFFAOYSA-N 269.379 4.805 30 10 CJEE C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1F 104277327 ZOBJEWJIQDXIIL-KHPPLWFESA-N 289.737 4.678 30 10 CJEE CSC(=CC(=O)c1ccc(C(C)C)cc1)SC 106490151 ABMZZQQMHAMSCV-UHFFFAOYSA-N 266.431 4.560 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1ncccn1 107683679 HQBKIXTZYKPHRR-INIZCTEOSA-N 277.456 4.787 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)ccc1C 109713922 PWERIEFTZGFGSP-INIZCTEOSA-N 252.373 4.918 30 10 CJEE CCCCCCCCOc1cc(Cl)ccc1CN 109977257 JYPACOOMYKFWJX-UHFFFAOYSA-N 269.816 4.538 30 10 CJEE CCCCCCCCC[C@H](CNCCOC)C(C)C 110213257 NIUDEICTJAOCAB-QGZVFWFLSA-N 271.489 4.635 30 10 CJEE CCCCCCCCOc1cccc2c1CCC2=O 110305776 MXVPIAHLKOPZRZ-UHFFFAOYSA-N 260.377 4.555 30 10 CJEE CCCCCCCCCCSc1nnc(N)n1C(C)C 110324330 IOPWHOOPQWMHRY-UHFFFAOYSA-N 298.500 4.674 30 10 CJEE CCCCCCCCCNC[C@H]1C[C@@H]2CC[C@@H]1C2 111613904 PMTUTZLBRSRRLX-BRWVUGGUSA-N 251.458 4.763 30 10 CJEE CCCCCCC[C@H](O)c1c(F)cccc1Cl 114874019 KYVCNFQGIWZPHO-ZDUSSCGKSA-N 258.764 4.873 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1CCOc2ccccc21 115844915 BGXGOZOVWKALMN-SJLPKXTDSA-N 289.463 4.891 30 10 CJEE CCCCCCCCC[C@H](O)c1c(C)nn(C)c1Cl 122443937 PBJWOWYEXNFUPJ-ZDUSSCGKSA-N 286.847 4.556 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CO[C@@H](C)C1 122734826 UNVMINCVGCQXRV-BZSNNMDCSA-N 298.515 4.554 30 10 CJEE CCCCCCCC[C@H](NN)C1CCCCCC1 126750560 IYGJLEPMMCHUDZ-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCSc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1C#N 126996253 IVKFLSTVSGCAPD-CHWSQXEVSA-N 274.433 4.661 30 10 CJEE Cc1ccc([C@@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)o1 128758006 GCBODBLQBKQNPU-SNVBAGLBSA-N 294.276 4.652 30 10 CJEE CCCCCCCCCC[C@@H](NN)C(CC)(CC)OC 130983879 DIBDVVDRQQOXRP-MRXNPFEDSA-N 286.504 4.554 30 10 CJEE CCCCCCCCCC[C@H](N)c1ncccc1F 131396279 IEIJEDPMTCFECR-HNNXBMFYSA-N 266.404 4.751 30 10 CJEE CC(C)C1CCC(C#N)(CCOC(C)(C)C)CC1 133662190 IPJMAIYVXQLUFT-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE CCCCCCCCNc1cccc(OCCC)c1N 135148910 BDDKZFLRZKOIEV-UHFFFAOYSA-N 278.440 4.830 30 10 CJEE CCCCCCCCCCCC[C@@H](NC)c1ccnn1C 143510123 OYVCAMGJBBDLAT-QGZVFWFLSA-N 293.499 4.992 30 10 CJEE Cc1cc(Oc2cc(C)c(Cl)c(C)c2)c(C#N)c(C)n1 156603399 ITFRNVAHKHFCQL-UHFFFAOYSA-N 286.762 4.633 30 10 CJEE CCCCCCCCC(=O)CC[C@H](CCN)C(C)C 159667924 FURMLDKZSFVBHP-MRXNPFEDSA-N 269.473 4.707 30 10 CJEE CCC(CC)(CC)Nc1cccc(Br)c1C#N 168556613 YCCVPRNZDGBREP-UHFFFAOYSA-N 295.224 4.701 30 10 CJEE CC#CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1CNCC(C)C 169068808 AYEGXSDTBKPFJO-IPMKNSEASA-N 277.496 4.868 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCC[C@H]1CN 226554138 GFRXKJXMOKYEJC-DLBZAZTESA-N 281.484 4.851 30 10 CJEE C=CCCC[C@H]1C[C@H](CCC)CC[C@H]1CNCC 227525248 WHSYNAKILFICQV-IKGGRYGDSA-N 251.458 4.785 30 10 CJEE N#Cc1ccccc1Nc1ccc(Cl)c2cccnc12 227861838 GCNHAFVZUDIPGZ-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@H]2CCC3(CCCC3)O2)C1 229466509 JHIOAFHZZXXWIM-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE CCSc1cccc(NC[C@@H]2CCC[C@@H]2C)c1C#N 230683938 FUEVHVCGQOXDIP-STQMWFEESA-N 274.433 4.518 30 10 CJEE N#Cc1c(Cl)cccc1Oc1cccc2ncccc12 231098175 VTQWCONCMKRWFL-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE CC(=O)/C(C)=C/c1ccc(-c2nc3ccccc3s2)o1 231746355 IHFZINVHXXWVSH-MDZDMXLPSA-N 283.352 4.549 30 10 CJEE CC(C)(C#N)CCCCN1CCC2(CCCCC2)CC1 232530858 QOLYXPHBDLEPOP-UHFFFAOYSA-N 276.468 4.753 30 10 CJEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(F)cc2Cl)CC1 232783921 USWAYYOAULELEN-AWEZNQCLSA-N 295.785 4.623 30 10 CJEE CCCCCCCCCC[C@]1(O)CCS[C@@H]1C 232929231 OPSBGSCYOVGPCL-CABCVRRESA-N 258.471 4.774 30 10 CJEE CCCCCCCCC[C@H]1C[C@H](N)c2ccccc2O1 232952783 UHOGFNSOJHBWHE-RDJZCZTQSA-N 275.436 4.978 30 10 CJEE CC[C@H]1CC[C@](C#N)(Cc2ccc(Cl)c(F)c2)C1 234088348 GNGJMRNWYZYMGH-XHDPSFHLSA-N 265.759 4.742 30 10 CJEE O=C(Cc1c(F)cccc1Cl)C1=CCCCCCC1 236264260 BYDYBQKVJFBIKE-UHFFFAOYSA-N 280.770 4.871 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NCC[C@H]1C 250843424 YZRNICWYXUDDIF-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE Clc1ccc(Cl)c(N=Cc2cccs2)c1 254836801 TYDQOJGCISIPGK-UHFFFAOYSA-N 256.157 4.806 30 10 CJEE C[C@H](C#N)c1cc2cc(C(F)(F)F)ccc2s1 259907840 BWWVYUWIEVMXIV-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE Cc1ccc(C#N)c(Nc2cccc(C)c2Cl)c1 305959613 FEQVZJWTVLBKRZ-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE C=CCCCCCCNC[C@@H]1CCCC(F)(F)C1 310693222 OOSGANJYBPTJQO-CQSZACIVSA-N 259.384 4.538 30 10 CJEE C=CCS[C@H](C)[C@@H](NCCC)c1ccc(CC)cc1 311480487 TXHDQNLPTDMJMH-RHSMWYFYSA-N 277.477 4.597 30 10 CJEE N#Cc1sc(Oc2cccc3ccccc23)nc1Cl 311752351 DGWWVCWWWKEKSN-UHFFFAOYSA-N 286.743 4.614 30 10 CJEE C[C@@H](C[C@@]1(C#N)CCCC(C)(C)C1=O)C1CCCCC1 313546572 OGCQSGUJHNRNIH-KBXCAEBGSA-N 275.436 4.882 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCc2ccccc2)C1 316847927 NMOHBIDXNHFPBZ-AEFFLSMTSA-N 258.405 4.795 30 10 CJEE C[C@@H]1CCC[C@@](C=O)(CC(F)(F)c2ccccc2)C1 317205538 VMHSEJQCZWBGTN-HIFRSBDPSA-N 266.331 4.564 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1C[C@@H](OCC)C1(C)C 378656007 ASTWRSROALUCLQ-HRCADAONSA-N 270.457 4.549 30 10 CJEE 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4.592 30 10 CJEE Cc1cc2ccccc2nc1[C@@]1(C#N)CCCC[C@@H]1C 384862466 NCOFIOWBYXXUSJ-KBXCAEBGSA-N 264.372 4.515 30 10 CJEE CC(C)(C#N)CCCCNc1ccc(C(F)F)cc1 386491552 YQKFCAJKNOWTBQ-UHFFFAOYSA-N 266.335 4.756 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccsc1Br 389060625 HHTFKMJFAKSDSU-UHFFFAOYSA-N 299.233 4.513 30 10 CJEE CCCCCC(C)(C)C/N=C1/N[C@H](C(C)(C)C)CS1 393992984 IGDXXUYRGBSLEI-ZDUSSCGKSA-N 284.513 4.700 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2sccc2Cl)C1 394086613 NFFVJJBVTGYALL-SWHYSGLUSA-N 283.824 4.545 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1ccc(C)nn1 396957295 RIPKIGOSEJJKME-MRXNPFEDSA-N 277.456 4.576 30 10 CJEE CCCCCCCCC[C@H](CN)N1CCC[C@H]1CCC 397059844 PJCGCVQLCNWIIM-QZTJIDSGSA-N 282.516 4.719 30 10 CJEE C=CCCC[C@@H](C)NCc1ccc(OCCCC)cc1 398087502 VTXGKXJPZFMEIH-MRXNPFEDSA-N 275.436 4.700 30 10 CJEE CC(C)[C@H](C)CN(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 399682424 YCSTYNDYZYWEOD-QBPKDAKJSA-N 278.484 4.565 30 10 CJEE C[C@](C#N)(CC/C=C/c1ccccc1)c1ccccc1 405755863 MPQHQGMCDKDLNE-YRVHBARZSA-N 261.368 4.961 30 10 CJEE C=C(C)CCS[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 507804543 PIQQYJDVAJOKKI-OAHLLOKOSA-N 291.460 4.638 30 10 CJEE C=CCCC(C)(C)CNCC(C)(C)c1ccccc1 686662944 MXCUIZHXHFZVTI-UHFFFAOYSA-N 259.437 4.546 30 10 CJEE C#CCCCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 686709524 SWXHDTRTHDAWOI-OAHLLOKOSA-N 299.792 4.853 30 10 CJEE CC(C)(C)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 688856974 HXTXMFJKTWQKPK-SFHVURJKSA-N 279.383 4.919 30 10 CJEE CCCCCCCCCNc1ccc(CN(C)C)cc1 689458198 KJLMBJLIZITVOQ-UHFFFAOYSA-N 276.468 4.911 30 10 CJEE C[C@@H](CC1CCCC1)Nc1cc(C#N)ccc1Cl 689866973 RSNACCDUTLFNQO-NSHDSACASA-N 262.784 4.592 30 10 CJEE C=CCC1(NCc2ccc(C(C)C)cc2)CCCC1 690781917 NXZZRWGKLVRCPD-UHFFFAOYSA-N 257.421 4.789 30 10 CJEE C=CC[C@H]1CCCC[C@H]1Nc1c(N)ccc(Cl)c1C 692237948 BEQMNLNHVJRFKM-SWLSCSKDSA-N 278.827 4.777 30 10 CJEE CCCCCCCC(=O)CCCOC1CCCC1 699949161 HQAZGRQQQAWNCO-UHFFFAOYSA-N 254.414 4.655 30 10 CJEE CCCCCCCCCCN[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 701012195 LLWLEBWOTPUTCJ-QAETUUGQSA-N 269.473 4.529 30 10 CJEE 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293.366 4.590 30 10 CJEE C=CCCCCC[C@H](C)NCC(C)(C)[C@@H]1CCCCO1 1462482168 AYMNOZIHSOUMSG-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=C(C)c1cccc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 1462642260 DTLFJAYMQYLCTP-IAGOWNOFSA-N 273.420 4.725 30 10 CJEE C=CC[C@@H](C)Nc1nc(Cl)c(C(F)(F)F)cc1Cl 1472696933 UFHRTUNFFVLQLC-ZCFIWIBFSA-N 299.123 4.784 30 10 CJEE C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 1518325468 LUQJZWHXXDFHJU-HOTGVXAUSA-N 299.458 4.560 30 10 CJEE C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 1525816152 JSUIGSWLNJRUTH-MSOLQXFVSA-N 299.458 4.679 30 10 CJEE C=C[C@H]1CCCCN1C(=O)c1cccc(C2CCCC2)c1 1530962416 YDVJGZSBWSLIEP-SFHVURJKSA-N 283.415 4.525 30 10 CJEE C=CCC1(C(=O)Nc2cccc(SC)c2C)CCCC1 1535234537 KMAFMOGQBVRBMQ-UHFFFAOYSA-N 289.444 4.792 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1538741606 KPCOKWNITSWFBR-CABCVRRESA-N 279.468 4.700 30 10 CJEE C=CCCCCCCCCNC(=O)C(C)=C1CCC1 1545005911 GRMHJQJFEHZOPA-UHFFFAOYSA-N 263.425 4.520 30 10 CJEE C=CCCCCCN1CCC[C@H]1Cc1ccc(C)cc1 1559537696 DBRDXAKGVCHLLZ-IBGZPJMESA-N 271.448 4.748 30 10 CJEE C=CCCCCN(Cc1cccc(F)c1)C1CCC1 1560158224 DVTIHTMSXOHODM-UHFFFAOYSA-N 261.384 4.537 30 10 CJEE C#CCCCCCCNC1(c2cccc(C)c2)CCCC1 1616294426 BVBDRNHDBXRTNS-UHFFFAOYSA-N 283.459 4.938 30 10 CJEE C#CCCCCCCN1CCC(c2ccsc2)CC1 1617325390 RTJZBDJPIMDJJP-UHFFFAOYSA-N 275.461 4.511 30 10 CJEE C=C[C@H](OC(=O)[C@H](C)C(CC)CC)c1ccccc1 1617549896 SIQOQVJAIVBQES-CJNGLKHVSA-N 260.377 4.529 30 10 CJEE C=C[C@H](C(=O)Nc1cc(C)c(C)cc1Cl)c1ccccc1 1624702672 FQMXSBGGKQHUFN-HNNXBMFYSA-N 299.801 4.865 30 10 CJEE C=C1CCN(C(=O)[C@H](C)CCCCCCCC)CC1 1628143516 QGLBBWHSBRAWLK-MRXNPFEDSA-N 265.441 4.552 30 10 CJEE C=CCCC[C@@H](NC(=O)N(C)CCCC)c1ccccc1 1638029832 QGIJPIIJEKCLDY-QGZVFWFLSA-N 288.435 4.526 30 10 CJEE C#Cc1cccc(N(C)Cc2ccc(CC(C)C)cc2)c1 1641717675 DNOUKMHRVKLRHH-UHFFFAOYSA-N 277.411 4.503 30 10 CJEE C=CCn1c(S[C@H]2CCC[C@@H](C)C2)nc2ccccc21 1651576057 MYTYFGSSEIIHOB-KGLIPLIRSA-N 286.444 4.893 30 10 CJEE C#CCCCCCCN[C@H](CC)c1cccc(Cl)c1 1653080813 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CC[C@H]1CCC[C@@](C#N)(Cc2ccc(COC)s2)C1 2342136518 NEWUMHATXIEUIB-BBRMVZONSA-N 277.433 4.547 30 10 CJEE O=CC1(C[C@H](c2ccccc2)C2CCCC2)CCC1 2342483478 TUSWKWZYDUNABU-QGZVFWFLSA-N 256.389 4.720 30 10 CJEE C=CC[C@](C)(CC)C(=O)Cc1ccccc1C(C)C 2344361305 BIPNTCZNSQBGDU-SFHVURJKSA-N 258.405 4.914 30 10 CJEE C=CCC(C)(C)[C@@H](NC)c1cccc(C2CCC2)c1 2344369862 VJFDMHCCZZGEKZ-KRWDZBQOSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@H]1C[C@H]2CCC[C@H](C2)C1 2344460003 NHBQNMMSPRIJPF-ICUGJSFKSA-N 264.453 4.946 30 10 CJEE C=CC[C@@H](C)S[C@@](CC)(C(=O)O)c1cccc(Cl)c1 2352002142 NMFZIIBJBSANGC-IAQYHMDHSA-N 298.835 4.728 30 10 CJEE C=CCC(CC=C)OC(=O)c1c(Cl)cc(C)cc1Cl 2353116427 XWUQUTGANHQKFN-UHFFFAOYSA-N 299.197 4.979 30 10 CJEE C=CCOc1ccccc1[C@@H](O)C[C@H](CC)CCC 2353454369 FGNXOTDCMIJIDH-ZBFHGGJFSA-N 262.393 4.501 30 10 CJEE CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)c(SC)c1 2353833167 AOVDGWBXSCASQL-IUODEOHRSA-N 274.433 4.661 30 10 CJEE CSc1cc(N[C@@H](C)CC2CCCC2)ccc1C#N 2353835129 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CCCN[C@](C)(C#N)C[C@H](C)SCC1CCC(C)CC1 2360506570 MOYVYLIPHSCOBX-XGHPGWEVSA-N 296.524 4.606 30 10 CJEE CCCC(CS)(CCC)COc1cccc(OC)c1C 2360509900 BQVNGIYVZRLOMI-UHFFFAOYSA-N 296.476 4.899 30 10 CJEE C=CCOc1ccc(CNC[C@@H](CC)CCCC)cc1 20546713 HCCQUGJUKPNLOR-INIZCTEOSA-N 275.436 4.557 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 36973728 LOYZAWJZVYGTDV-LLVKDONJSA-N 290.288 4.750 30 10 CJEE CCCC(C#N)(CCC)C(=O)Nc1ccc(C)c(Cl)c1 44809104 ZGBFZEOIWVTRJB-UHFFFAOYSA-N 292.810 4.697 30 10 CJEE CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)C1CCCCC1 52335979 KRMSAPNMDCXTMZ-KBXCAEBGSA-N 270.420 4.568 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(OCC#N)cc1 59090135 NNVINUZJJDCCJO-OAHLLOKOSA-N 274.408 4.750 30 10 CJEE CCCCCCC[C@H](C)Nc1cccnc1Cl 59431453 IVGZMMFMQUXCES-LBPRGKRZSA-N 254.805 4.896 30 10 CJEE CCCCCCCO[C@H](CC)C(=O)c1ccccc1 59526117 HOTSSMXKOLDRPA-MRXNPFEDSA-N 262.393 4.635 30 10 CJEE Cc1cccc(C(C)C)c1NCc1cccc(C#N)c1 83479755 FAHUCBKDEOXCDW-UHFFFAOYSA-N 264.372 4.602 30 10 CJEE CCC[C@@H]1CCC[C@H](Nc2ccccc2C#N)CC1 86922566 OZQKSVJNIQYTHD-ZBFHGGJFSA-N 256.393 4.719 30 10 CJEE C[C@H]1CCC[C@H](CNc2ccc(C(C)(C)C#N)cc2)C1 89605861 VNOVPAHQWRMKJT-GJZGRUSLSA-N 270.420 4.726 30 10 CJEE C=CCCCC1(C(=O)O)CCC(C(C)(C)C)CC1 93115517 BUNMZMRXKAESNH-UHFFFAOYSA-N 252.398 4.650 30 10 CJEE COc1cccc(SC[C@@H](CS)c2ccccc2)c1 94588832 GSJJCOWTJBXCAB-CQSZACIVSA-N 290.453 4.501 30 10 CJEE CSc1ccccc1Oc1cc(Cl)ccc1C#N 104331358 UYVUTEJQLHLHFI-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE Cc1cccc(-c2ccc3c(ccn3C[C@@H](C)C#N)c2)c1 107837904 KVPRXRYXKIHFHE-HNNXBMFYSA-N 274.367 4.776 30 10 CJEE CCCCCCCO[C@H](C(C)C)[C@@H](NC)c1ccccc1 110081449 FPUSQCIOGSINFQ-RBUKOAKNSA-N 291.479 4.959 30 10 CJEE CCCC[C@@H](CC)COc1cccc(Cl)c1C#N 110261870 HFZFXBFPUBQFII-GFCCVEGCSA-N 265.784 4.807 30 10 CJEE CCCCCCCCCN[C@H]1C[C@H]1c1ccccc1 110449048 URCMQLJOTOFDOA-ROUUACIJSA-N 259.437 4.883 30 10 CJEE CCCCCCCC[C@](C)(O)c1ccccc1F 114871625 HZBJHHAEMJPTJJ-INIZCTEOSA-N 252.373 4.784 30 10 CJEE CCCCCCCCC[C@@H](N)c1cc(OC)ccc1OC 115855692 VIXHPTUDCLEXHT-QGZVFWFLSA-N 293.451 4.844 30 10 CJEE CCCCCCCCCCCC[C@@]1(CO)CCOC1 117326303 SIYIRARZBJFYJG-KRWDZBQOSA-N 270.457 4.696 30 10 CJEE C[C@@H](Oc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 122382609 ADEBBKMUNLQHPT-LLVKDONJSA-N 291.272 4.717 30 10 CJEE CCCCCCCC[C@@H](Cc1cccc(OC)c1F)NC 123704972 NBHSMUXPTJGAGW-INIZCTEOSA-N 295.442 4.715 30 10 CJEE CC[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 126262160 SAKBPTNYKPKCSY-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE Cc1ccc(C#N)cc1NC1CC(C)(C)CC(C)(C)C1 129712945 YXLQNLSYLQAFBG-UHFFFAOYSA-N 270.420 4.884 30 10 CJEE CC#CC[C@H](CCCCCCCCCCC)NC 130802000 FHGCEBFRAILDCK-QGZVFWFLSA-N 251.458 4.909 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](OCC)C(C)(C)C 131536821 BKVVKVXUSDAJGY-HZPDHXFCSA-N 271.489 4.906 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(C)nnc1CC 135558232 YELRKAJMJRMNDA-SFHVURJKSA-N 292.467 4.912 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1CC 135732684 MXGYZWVCRHSMOI-KKUMJFAQSA-N 290.538 4.725 30 10 CJEE CCSc1cccc(Nc2cc(F)cc(F)c2)c1C#N 136614066 GOFKNHOIZIJUDP-UHFFFAOYSA-N 290.338 4.692 30 10 CJEE CCCCCCCCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 150010992 MOBKPMGGLVKNJY-IRXDYDNUSA-N 297.483 4.543 30 10 CJEE CCCCCCC[C@@H](NCC)c1sccc1OC 158208668 FINBRLBRJYKBPZ-CYBMUJFWSA-N 269.454 4.768 30 10 CJEE CCCCCCC[C@@H](N)c1cc(C)c2ccccc2n1 160488453 ZMFHQVIDGKLEKO-MRXNPFEDSA-N 270.420 4.904 30 10 CJEE C=C(C)COCCNC(CCCCC)CCCCC 163535773 QSDSVUOIUZSFEV-UHFFFAOYSA-N 269.473 4.698 30 10 CJEE CCCCCCCCCC[C@H](NN)c1cccs1 165883159 ZJSUTWQCCLHVKN-AWEZNQCLSA-N 268.470 4.783 30 10 CJEE CC1(C)Cc2ccccc2[C@@H]1Nc1ccc(Cl)c(C#N)c1 213101553 HLFQOQHKTVSVMW-KRWDZBQOSA-N 296.801 4.947 30 10 CJEE CCCCCCCCC[C@H](CN)N(CC)CCCC 219684815 KWKAPZKBFHGGIU-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2C[C@@H](C)C[C@@H](C)C2)C1 222188140 RZXOMIUUZVYLFR-ILOCAZANSA-N 290.495 4.709 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(CC)c2cccc(C)c2)C1 222791063 JUPXTMQPGQVWEY-RYRKJORJSA-N 270.420 4.540 30 10 CJEE CCCC[C@H](CCC)NCc1ccc(C#N)cc1Cl 226037196 QPBFAQAXHGJHKT-HNNXBMFYSA-N 278.827 4.660 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1C 228115772 NVHAJPULILNJKM-ILXRZTDVSA-N 289.554 4.562 30 10 CJEE C=C(CC)C[C@H](NCC)c1ccc(OC(F)(F)F)cc1 229759451 YETYTPKFYXXDJQ-AWEZNQCLSA-N 287.325 4.592 30 10 CJEE CCC1(CNc2ccc(C#N)cc2Cl)CCCC1 232936986 IULNTSBPGLKBLG-UHFFFAOYSA-N 262.784 4.594 30 10 CJEE C=CCCCCC[C@@H](NCCC)[C@]1(C)CCCS1 233164071 ZKSZPNBJUGJUHC-CVEARBPZSA-N 269.498 4.777 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@H]2CC[C@H]1O2 250837885 WBBIFLLRVSCDEJ-KZNAEPCWSA-N 281.484 4.817 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)c1ccc(C#N)cc1 252431819 QIIVKPLOZAOAFQ-RGCFKVTRSA-N 284.447 4.670 30 10 CJEE N#C[C@@]1(C[C@H]2CCC3(CCCCC3)O2)C[C@H]2CC[C@H]1C2 300002457 RINWLWMXQHOORA-NXOAAHMSSA-N 273.420 4.588 30 10 CJEE C[C@H](Nc1ncccc1C#N)c1cc2cc(Cl)ccc2o1 301251003 BLIYDOZLEGASOM-JTQLQIEISA-N 297.745 4.526 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@@H]2CCC(F)(F)C2)C1 305954510 HXCZHGYULHLEBH-HZSPNIEDSA-N 255.352 4.922 30 10 CJEE CC(C)(C)C(C)(C)Nc1cc(Br)ccc1C#N 310553155 XDQPEUMZQNQBKW-UHFFFAOYSA-N 295.224 4.557 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2cccc(Cl)c2Cl)C1 316822759 PJMLGGCHAHZEBU-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE O=CC1(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)CCCCCCC1 316978939 ODOCPNABOJJVCB-IKGGRYGDSA-N 278.436 4.654 30 10 CJEE CC[C@@H]1CC[C@](C=O)(C[C@H]2CCC3(CCCCC3)O2)C1 317225359 XLIDVCRHQAAAER-BRWVUGGUSA-N 278.436 4.654 30 10 CJEE CC(C)c1ccc(C[C@]2(C=O)CCC[C@H](C)C2)cc1 317611774 TVZAHAXBCGNMPI-YJBOKZPZSA-N 258.405 4.748 30 10 CJEE C#CCCC1(CNC(C)(C)C)CCC(CCC)CC1 317906999 SYXRYDBLXDCNBK-UHFFFAOYSA-N 263.469 4.765 30 10 CJEE C=C(COCCC)C(=O)CCCCCCCCC 395596087 NMLOHFSKXBZRPF-UHFFFAOYSA-N 254.414 4.679 30 10 CJEE Cc1ccc(SC[C@@H](C#N)C2CCCCC2)cc1 397301354 LPIKBUZIGMXEAL-OAHLLOKOSA-N 259.418 4.807 30 10 CJEE CC[C@]1(C)CCN(CCCCCCCCCS)C1 399366285 IKABWLRZZTZTBT-MRXNPFEDSA-N 271.514 4.769 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc2c(c1)CCC2 410374902 OPHPUODHYYWQAB-UHFFFAOYSA-N 291.394 4.546 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(Cl)s1 410381658 XUXDRDPHKFQEBF-UHFFFAOYSA-N 291.803 4.772 30 10 CJEE C=CC(C)(C)CCN[C@@H](c1ccc(F)cc1)c1cccnc1 624037334 WIODKSBUFQGMQY-SFHVURJKSA-N 298.405 4.502 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2C[C@H]21 672744514 DDOVNZWTABZWDW-DOTOQJQBSA-N 298.430 4.555 30 10 CJEE CC(C)(C)CCC/N=C1/NC2(CCCCC2)CCS1 687323943 QOQBWJYIXYBECQ-UHFFFAOYSA-N 282.497 4.598 30 10 CJEE Cc1cc(NCc2cc(F)ccc2C#N)cc(C)c1Cl 690303352 BMKNGSCZODNGMJ-UHFFFAOYSA-N 288.753 4.580 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccsc1Cl 692282752 UEBLWQCEJNQQJP-DGCLKSJQSA-N 269.841 4.626 30 10 CJEE CCCCCCCCCC(=O)Nc1cc(O)ccc1C 692336979 PDYSZDNUYBDAGB-UHFFFAOYSA-N 277.408 4.780 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(F)c(C(F)(F)F)c1 695841625 ITQXROOVLMCKNW-VIFPVBQESA-N 288.288 4.585 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)c(F)c1 703987986 HXSJXBIAEFYZEF-AWEZNQCLSA-N 263.400 4.777 30 10 CJEE CCCCCCCCCC[C@](N)(CC)[C@@H]1CCOC1 704920364 UFRMWTSNXSUTOL-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE C=CC(C)(C)CCNc1ccc(C#N)c2ccccc12 706450471 JVWOANYLICUVRW-UHFFFAOYSA-N 264.372 4.726 30 10 CJEE CCCCCCCCC(=O)C1C[C@@H]2[C@@H](C1)C2(F)F 710505584 HDEXINIBAFQRKI-CHWSQXEVSA-N 258.352 4.597 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](CCC)CC[C@H]1CNCC 710624018 VOQCYEQXBBBWQQ-QLFBSQMISA-N 257.849 4.571 30 10 CJEE C=C(Cl)C[C@@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 710639593 BZOKNBXAZHOYOT-ARFHVFGLSA-N 271.876 4.960 30 10 CJEE CCCCCCCCC[C@H](NN)C12CCC(CC1)C2 710863833 FSQYLPDXSLZJMX-CGZBRXJRSA-N 266.473 4.539 30 10 CJEE C=CCCCc1cc(Br)cc(C(C)C)c1O 711297437 GUHAIMBTARANOP-UHFFFAOYSA-N 283.209 4.787 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)c(Cl)c1 715009348 IZNWWKKCNWLNCD-HZMBPMFUSA-N 272.219 4.856 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C(C)(C)c1ccccc1 715703652 HLZDMVSRQCVSIV-DOTOQJQBSA-N 259.437 4.545 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)[C@H](CC)c1ccccc1 715801699 ZGBREYHWKVMYGB-CGTJXYLNSA-N 259.437 4.761 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1cscc1C(F)F 717194919 UTRSNONJHCYQFB-GXFFZTMASA-N 273.392 4.939 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Br)cc1C 717918066 FBWKLFGOPCVISG-UHFFFAOYSA-N 296.252 4.592 30 10 CJEE CC1(C)CCCCC[C@H]1Nc1ccc(C#N)c(F)c1F 718937197 JZUDUOOIRINPOL-CYBMUJFWSA-N 278.346 4.607 30 10 CJEE Cc1ccccc1N[C@]1(C#N)CC[C@@H]2CCCC[C@H]2C1 723610374 RFBRRAZATOGGQD-XYJFISCASA-N 268.404 4.660 30 10 CJEE C=C1CCC(C[C@H](N)c2cccc(Cl)c2C)CC1 724548918 IBXQQAVZVQSSNT-INIZCTEOSA-N 263.812 4.785 30 10 CJEE CC[C@@H](C#N)c1ccccc1OCc1ccccc1Cl 725424764 SCKLBQOEMHQYRY-ZDUSSCGKSA-N 285.774 4.936 30 10 CJEE C#C[C@@H](NCc1cc2ccccc2s1)c1ccc(F)cc1 812794244 WHGSQBKFQSIRCK-QGZVFWFLSA-N 295.382 4.505 30 10 CJEE C=C(C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 1084012780 IHXKUGMCTFYDSJ-UHFFFAOYSA-N 265.316 4.617 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1c1ccccc1 1132193228 IUVMWBCKDYJVQR-ROUUACIJSA-N 299.458 4.679 30 10 CJEE C=C[C@@H](C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 1136344561 KXTNJVUSEGRQHF-QGZVFWFLSA-N 279.383 4.520 30 10 CJEE C=CCCc1ccccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 1178552422 AHGDBCFFUNWUJG-XIRDDKMYSA-N 255.405 4.653 30 10 CJEE C=CCC[C@H](CC)NCc1cccc(OC(C)(C)C)c1 1183663631 YXVLYDBRKRNFQQ-INIZCTEOSA-N 275.436 4.698 30 10 CJEE C=CCN(Cc1ccccc1Oc1cccnc1)C(C)(C)C 1196189604 STUXLQHAMLNVSK-UHFFFAOYSA-N 296.414 4.660 30 10 CJEE C=CC(C)(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 1264224847 RPFRMGLNCVOSFN-UHFFFAOYSA-N 282.339 4.597 30 10 CJEE C=CCCC[C@@H](C(=O)N(C)[C@@H](C)CCC)c1ccccc1 1264521686 HULNTPULYKOIGT-FUHWJXTLSA-N 287.447 4.774 30 10 CJEE C=C(C)CCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 1288171481 UATOGAZLRYTWOV-QZTJIDSGSA-N 299.458 4.821 30 10 CJEE C#CCN(Cc1cccc(CC2CCC2)c1)C1CCCCC1 1308590088 OSXOPAXNXMMJLB-UHFFFAOYSA-N 295.470 4.797 30 10 CJEE C=CC1(CC(=O)Nc2cccc3cnccc23)CCCCC1 1351104549 KTBLUPPABHVNEE-UHFFFAOYSA-N 294.398 4.700 30 10 CJEE C=C(C)C(C)(C)C(=O)NC1CCC(C(C)(C)CC)CC1 1352896315 FNLAIBSPZRLECX-UHFFFAOYSA-N 279.468 4.700 30 10 CJEE C=C(C)C(C)(C)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1436016532 LNOIUQOGWXJVHX-KRWDZBQOSA-N 299.458 4.809 30 10 CJEE C=C(CC)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 1459564991 QLGQPRQNHIHIMM-ZWKOTPCHSA-N 257.421 4.529 30 10 CJEE C#CCCCCCCN1CCCc2c(C)cc(C)cc21 1459724274 WSSMXLJDTFDUKH-UHFFFAOYSA-N 269.432 4.640 30 10 CJEE C=C[C@H](CC)CC(=O)OCc1csc2ccccc12 1460618124 NVBJXDNBFXYSQM-GFCCVEGCSA-N 274.385 4.547 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1cc2cc(F)ccc2o1 1461630261 JJXHCVSGUINECY-SUMWQHHRSA-N 287.378 4.796 30 10 CJEE C=CCCC1(CNCc2cc(C)ccc2C)CCCC1 1461632300 MVWONJZFYMTAIC-UHFFFAOYSA-N 271.448 4.920 30 10 CJEE C=C(C)c1cccc(NCc2nccn2-c2ccccc2)c1 1461813625 SBMKDYIREMVHAI-UHFFFAOYSA-N 289.382 4.518 30 10 CJEE C=CCC1(NC(=O)N[C@H](C)CCCC(C)C)CCCCC1 1467629270 GXKZWECLYDBSOL-MRXNPFEDSA-N 294.483 4.779 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CCCC[C@@H]1C 1521557284 WOEONWRIMBSPBU-WMZOPIPTSA-N 291.479 4.798 30 10 CJEE C=CCCCCCN(C)C(=O)[C@H](CC=C)c1ccccc1 1530310206 YXDVVOKSVVHICF-GOSISDBHSA-N 285.431 4.551 30 10 CJEE C=CC1CCN(C(=O)CCCCCCCCCC)CC1 1531320692 BCFXQVAOSFLLTD-UHFFFAOYSA-N 279.468 4.942 30 10 CJEE C=CCN(C(=O)/C(C)=C/C1CCC(C)CC1)C(C)(C)C 1532428483 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30 10 CJEE C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC1 86882430 NWIODJYOWZVCIY-WCQYABFASA-N 296.336 4.958 30 10 CJEE CCC(CC)(CS)CSc1ccccc1C 87097666 LUKXOSDOHCPUDC-UHFFFAOYSA-N 254.464 4.823 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(CCOc2ccccc2)C1 87972946 BQTSMSAPSNSAFL-NVXWUHKLSA-N 257.377 4.566 30 10 CJEE C[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc3ccccc23)C1 91881220 WSLTUSWCDXIJBV-NIKGAXFTSA-N 279.383 4.593 30 10 CJEE CCC(CC)N(CC(C)C)[C@@H]1C[C@H](CC)CC[C@H]1C#N 93309029 RBTGTKMWJUJCDT-SOLBZPMBSA-N 278.484 4.851 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1ccccc1C1CC1 94527887 ZHKJCOLWTHYFTP-SFHVURJKSA-N 262.356 4.549 30 10 CJEE C[C@H]1CCC[C@H](C)N1CC1(CS)CCCCCC1 94578273 VSGYLFDYBZCGMT-GJZGRUSLSA-N 269.498 4.520 30 10 CJEE Cc1ccc(SC[C@@H](CS)C(C)(C)C)c(C)c1 94588771 ZWDFVXSAJBUTBD-CYBMUJFWSA-N 268.491 4.988 30 10 CJEE CCCCCC(C)(C)CNc1cc(C)ccc1C#N 94989168 STPOQDKBJXUUAK-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE C=C(CC)COc1c([C@@H](C)NCC)ccc2ccccc12 97191217 PHBMUOWIHDKDCR-OAHLLOKOSA-N 283.415 4.855 30 10 CJEE CCCCCCCC[C@@H](NC)c1cc(F)cc(F)c1 103944790 OSRDZEOTZSGKDK-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCc1nc(CC)c(C(=O)O)s1 104654269 GRCOKMCQOJBDJN-UHFFFAOYSA-N 283.437 4.697 30 10 CJEE CCCCCCCCNc1nc(Cl)nc2c1CCCC2 105840979 QVLCXPLXKNNSTQ-UHFFFAOYSA-N 295.858 4.781 30 10 CJEE CCCCCCCCCC[C@H](C[C@@H]1CCCO1)NC 109724103 TWMRGBWRWKXPFU-SJORKVTESA-N 269.473 4.674 30 10 CJEE CC(C)[C@@H]1CC[C@H](C)C[C@]1(C#N)Nc1ccc(F)cc1 110028553 KUSYHZHPWSWBDI-RRQGHBQHSA-N 274.383 4.592 30 10 CJEE CCCCCCCCCCCC[C@@]1(CNC)CCOC1 110213335 UHWCIUBUZJANQA-SFHVURJKSA-N 283.500 4.924 30 10 CJEE Cc1cc(Nc2cccc(Cl)c2C#N)c2ccccc2n1 110251945 OOYFYOUYMHFJGH-UHFFFAOYSA-N 293.757 4.812 30 10 CJEE CCCCCCCC[C@@H](N)Cc1cc(C)cc(C)c1 110446616 DMTSSFFTWCEHPN-GOSISDBHSA-N 261.453 4.924 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H]1C#N 112898289 CWFQAXZOKVGDBS-QGZVFWFLSA-N 264.457 4.895 30 10 CJEE CCCCCCCc1onc(N)c1-c1cccc(C)c1 116909168 OTYABXYCMRKJHN-UHFFFAOYSA-N 272.392 4.745 30 10 CJEE CCCCCCCCCCn1cccc1C[C@@H](C)N 117596753 QNNXEFNHEUBRTP-MRXNPFEDSA-N 264.457 4.519 30 10 CJEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CCCCO1 122718679 GUSXTFKRQBLOAS-ROUUACIJSA-N 298.515 4.698 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@]1(C)CCCO1 123612098 WLDJJZKHWNPYHA-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@H](Cc1cc(C)cc(C)c1)NN 125999034 LRQMQEYQAWXQPO-LJQANCHMSA-N 290.495 4.819 30 10 CJEE CC[C@@](C)(C#N)Cc1ccc(Br)cc1Cl 126061918 FHYYDBXFYWMCEY-GFCCVEGCSA-N 286.600 4.585 30 10 CJEE CCCCCCCCCCCCN[C@@H]1C[C@@H](O)C1(C)C 128530608 PAMHBTRKNDCYPP-IAGOWNOFSA-N 283.500 4.656 30 10 CJEE CCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 130054702 GEXHRYHGIADHNN-AWEZNQCLSA-N 289.250 4.858 30 10 CJEE CSc1cccc(Nc2ccc(C#N)c(Cl)c2)c1C#N 136620535 HYZKGYGYOFZWNQ-UHFFFAOYSA-N 299.786 4.549 30 10 CJEE CCCCCCCCCC[C@](C)(N)c1ccc(F)cn1 150162562 HNDBZTYZHQGJDP-KRWDZBQOSA-N 280.431 4.925 30 10 CJEE CCCCCCCC[C@H](N)c1c(F)cccc1OC 155995444 NCLJYVNTRJGGEU-AWEZNQCLSA-N 267.388 4.585 30 10 CJEE CCCCCCCCC[C@@H](NC)[C@@](C)(CC)OCC 158398756 IHFYCACEMJSPCA-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE CCCCCCCCOc1c(Cl)cccc1C(=O)O 159544857 HRIUETKBOJHOJC-UHFFFAOYSA-N 284.783 4.778 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(F)c(OC)c1 159945064 OQXIKAPCFXEIDT-CYBMUJFWSA-N 267.388 4.995 30 10 CJEE CCCCCCCCCCNc1c(N)cccc1C(=O)O 161229017 MKRLWNOSDXSSJD-UHFFFAOYSA-N 292.423 4.520 30 10 CJEE CCCCCCCCCC[C@@H](NC)[C@@](C)(CC)OC 163479800 WFLSYSABQJXDPR-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@]1(OCC)CCC[C@H](C)C1 164772651 IVXPNJCLSNKQNW-BZSNNMDCSA-N 281.484 4.696 30 10 CJEE C=CCC[C@@H](NCC)C1CCC(CCCC)CC1 167771297 PPHVFKOZBIFUES-OFLPRAFFSA-N 251.458 4.927 30 10 CJEE CCCCCCCC(=O)c1ccc(Br)cc1N 226680393 FMYMSFSAVXQLDV-UHFFFAOYSA-N 298.224 4.575 30 10 CJEE C[C@@H]1CC[C@](C#N)([C@@H](O)C2CCC(C(C)(C)C)CC2)C1 228601709 PDZLPHNIVVKSBY-JRPZHJIBSA-N 277.452 4.530 30 10 CJEE Cc1cc(NCCCCCCC(C)C)ccc1C#N 232541707 OBYWXRCRXAFBKS-UHFFFAOYSA-N 258.409 4.885 30 10 CJEE CCCCCCCCCC[C@H](NN)c1ccoc1Cl 232916556 ZIVDFEIKKXFZKP-AWEZNQCLSA-N 286.847 4.968 30 10 CJEE CCCCCCC[C@@H](O)c1ccc(C)c(C)c1OC 232926164 MNKWHXIOCFRSQG-MRXNPFEDSA-N 264.409 4.706 30 10 CJEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2Cl)CC1 234063513 WTYORASXNRCULV-JSGCOSHPSA-N 276.811 4.982 30 10 CJEE C=CCCCCC[C@H](CSc1ccccc1C)NC 234449161 IAKZMHIYUDSGIW-MRXNPFEDSA-N 277.477 4.812 30 10 CJEE C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)cc2Cl)o1 235300335 GEHJVUXCUHWHQS-ZWNOBZJWSA-N 286.762 4.540 30 10 CJEE C=CCCCCC[C@H](O)[C@H]1CCC[C@@H](C(F)(F)F)C1 236536741 FALQGFWHFNOIBH-MJBXVCDLSA-N 278.358 4.853 30 10 CJEE CCCCCCCCCCN1C[C@@](C)(CC)NCC[C@H]1C 250818170 JWNCOLUCFLZTER-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)C[C@H]1CN 250830098 QLNZGLVWIQWREF-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CC(C)Sc1ccc(C(F)(F)CCC#N)cc1 258951789 FEXFIOLXXHVAKF-UHFFFAOYSA-N 255.333 4.583 30 10 CJEE C[C@@](C#N)(Cc1ccccc1)c1ccc2ccccc2c1 259641049 RWPVKQRDAYECHH-FQEVSTJZSA-N 271.363 4.864 30 10 CJEE CC[C@H](C)c1ccc(C[C@H](C)C#N)cc1Br 260552177 OHXVFZKGKDVPCD-QWRGUYRKSA-N 280.209 4.665 30 10 CJEE CC1(C)CCC(C#N)(c2ncc(Cl)cc2Cl)CC1 310767260 LSIHSTWZDOFNEF-UHFFFAOYSA-N 283.202 4.750 30 10 CJEE C=CCSC[C@@H](NCC)c1ccc(C(C)(C)C)cc1 311363225 BLXAAGHUJABMSZ-MRXNPFEDSA-N 277.477 4.554 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(F)cc1C 312230579 KHPRHVCDXSNAGM-QGZVFWFLSA-N 275.411 4.614 30 10 CJEE C[C@@H](CN(CCC#N)c1ccccc1)C1CCCCC1 312530743 JVRAAZPSPMGTNC-INIZCTEOSA-N 270.420 4.623 30 10 CJEE C[C@H]1CCC[C@@](C=O)(Cc2ccc(C(F)(F)F)cc2)C1 317028041 SIAWHNUZVQDDLQ-WFASDCNBSA-N 284.321 4.643 30 10 CJEE CCCCCCC[C@H](C[C@H]1CCCC1(F)F)NC 381871466 JOSYHJOAQQXUMS-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE C=CCCCCC[C@H](NCCC)C1CC(F)(F)C1 383479706 UDVFXEKBQWMQKT-AWEZNQCLSA-N 259.384 4.536 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CCCOc1ccccc1 384888542 SRJLJHUAIJAKGU-WBVHZDCISA-N 257.377 4.566 30 10 CJEE C=C(COC(C)C)[C@H](NCCC)[C@@H]1CCCCC1(C)C 387632133 FRZPHJXTCBJESA-IRXDYDNUSA-N 281.484 4.552 30 10 CJEE C=CCCCCCCNCc1ccc(C)c(Cl)c1 393969424 JKDSPPJKSIKQQX-UHFFFAOYSA-N 265.828 4.875 30 10 CJEE CCCCCCCCC[C@](C)(F)C[C@@H]1CCCN1 395758709 BQATXRRXTPPNRC-HOTGVXAUSA-N 257.437 4.997 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](C#N)C1CCCC1 397128778 OYOZXGKOVRQXKP-BBRMVZONSA-N 290.838 4.663 30 10 CJEE CCC[C@@H](NC[C@@H](C#N)C1CCCCC1)c1cccs1 397196770 NRCGMOHPAHVQLN-HZPDHXFCSA-N 290.476 4.899 30 10 CJEE CC(C)[C@H](C)CN(C)CCCCCCCCCS 399613756 ILENABHSOFAJAO-MRXNPFEDSA-N 273.530 4.871 30 10 CJEE C=CCCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 448024155 WSFOUPNJGRFHBJ-NSHDSACASA-N 292.473 4.797 30 10 CJEE C=CCOc1ccc(CN(C)[C@H](C)c2cccs2)cc1 507442285 REECITIURSHAIQ-CQSZACIVSA-N 287.428 4.506 30 10 CJEE CCCCCCCCC[C@H](NC)[C@H]1CCC[C@H](OC)C1 686353372 WUEDWEOHCXLRCG-BZSNNMDCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@H](C)O[C@H]1C 686433045 MHPPZKBLKMPPSM-NXOAAHMSSA-N 270.457 4.692 30 10 CJEE C#CCCCCCNc1cc(Cl)cc(Cl)c1 686679848 RNFKPLFAHIBDIC-UHFFFAOYSA-N 256.176 4.599 30 10 CJEE C#CCCCCC[C@@H](CC1CCCCC1)NCCC 686696676 BDNMSKTXKUOUQQ-SFHVURJKSA-N 263.469 4.909 30 10 CJEE Cc1ccc(N=C2NC3(CCCC3)CCS2)cc1Cl 687324269 QRMDETAKAYLOFJ-UHFFFAOYSA-N 294.851 4.675 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1CCCOC1)NC 689485070 MPJJICIEZKGXQM-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCNc1cccc(OCC2CC2)c1 690102809 QVODGISNOWKJDJ-UHFFFAOYSA-N 261.409 4.858 30 10 CJEE N#C[C@H](CNc1cc(Cl)cc(F)c1F)C1CCCCC1 691030750 WOWHEEWOEJRSQP-LLVKDONJSA-N 298.764 4.750 30 10 CJEE CCCCCCCCC[C@]1(N)CCCN(CCC)CC1 707802672 BBZNAOALSLMZCU-SFHVURJKSA-N 282.516 4.721 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@@]1(C)CC[C@@H](C)C1(C)C 710606212 FXDSOYHVIDZCMM-IVMMDQJWSA-N 271.876 4.960 30 10 CJEE CCCCCCC[C@@H](C[C@H]1CC(C)(C)OC1(C)C)NC 711389959 YILMCAMSAYLMNN-HOTGVXAUSA-N 283.500 4.919 30 10 CJEE C=CC[C@H](C)[C@@](C)(CNC(C)(C)C)c1ccccc1 715791560 YOCKRSYXZWLEDV-MAUKXSAKSA-N 259.437 4.545 30 10 CJEE C=CCCC(C)(C)NCc1ccc(Cl)c2cccnc12 717899053 NOJDKCMGIMJXMV-UHFFFAOYSA-N 288.822 4.723 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H](C)c2ccccc2)CC1 724575704 PYBDWQLDFRALPG-MAUKXSAKSA-N 257.421 4.515 30 10 CJEE C=C1CCC(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 724577869 UTDHOKQGGNLWEQ-HNNXBMFYSA-N 284.321 4.875 30 10 CJEE C=C1CCC(C[C@@H](NCC)C2C[C@@H]3CC[C@H](C2)S3)CC1 724588515 KBXZNRXEOQQBAN-HQSKLWIPSA-N 293.520 4.775 30 10 CJEE C=C1CCC(CC2(C(=O)O)CCC(CC)CC2)CC1 724589021 NFVOMAWUWFGRDT-UHFFFAOYSA-N 264.409 4.794 30 10 CJEE C=C1CCC(CC(=O)CSc2ccccc2C)CC1 724589833 JWANSWLCGQRZKE-UHFFFAOYSA-N 274.429 4.793 30 10 CJEE C=CC[C@H](OC(=O)[C@@H](C)c1ccc(C)o1)c1ccccc1 778737568 BRMRLRZGAASKJP-YOEHRIQHSA-N 284.355 4.552 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(C)cc1)c1ccccc1 1124308370 QZNSGQZUQODQER-GOSISDBHSA-N 280.367 4.650 30 10 CJEE C=C[C@@H](OC(=O)C1CC2(CCCCC2)C1)c1ccccc1 1130934494 OLBJGOHKCVZSRZ-QGZVFWFLSA-N 284.399 4.817 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)nc2Cl)CCCCC1 1135235043 ZYPZJWAJELDNHS-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=C(CC(C)C)C(=O)N1CCCc2cc(C(C)C)ccc21 1141852285 WUWKTPHFKQILNI-UHFFFAOYSA-N 285.431 4.692 30 10 CJEE C=CCN(CC=C)Cc1cc(C(F)(F)F)ccc1Cl 1180374988 ADGJBOSZJIDAOS-UHFFFAOYSA-N 289.728 4.533 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H]1C[C@@H]1Cc1ccccc1 1184336488 ACHUZLQAWDTLDQ-FHWLQOOXSA-N 271.448 4.590 30 10 CJEE C=CCCCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 1198174374 RLCKAZMDNUFSFH-LMMKCTJWSA-N 287.447 4.583 30 10 CJEE C#CC[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccccc1 1201521278 BTVLEPOYVJRASV-WMZOPIPTSA-N 269.432 4.557 30 10 CJEE C=CCCCCCCCCNC(=O)c1sccc1F 1436574306 TZVAQQTXPKWVJG-UHFFFAOYSA-N 283.412 4.534 30 10 CJEE C=CCCC(C)(C)NC(=O)c1cc2cc(F)ccc2s1 1453983358 WJJMSGHEPXCBMG-UHFFFAOYSA-N 291.391 4.515 30 10 CJEE C=CC[C@H]1N(C(=O)[C@@H](C)c2ccccc2C)CCCC1(C)C 1459680282 HMVNPURLOAFVOS-FUHWJXTLSA-N 299.458 4.692 30 10 CJEE C=CCCCCN[C@@H](C)c1ccc(SCC)cc1 1459826580 NFRXZTIBRKWEER-AWEZNQCLSA-N 263.450 4.806 30 10 CJEE C=CCCCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 1459962421 MOSUBOVCRBIBFL-GDBMZVCRSA-N 297.364 4.897 30 10 CJEE C#CC[C@H]1CCCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 1460291568 YFTLBXWNJCVRFU-KBPBESRZSA-N 295.348 4.502 30 10 CJEE C=CCC[C@H](CCC)N[C@@H](C)C1CCC(F)CC1 1474646357 RZBTUNJFHRFAHM-LBDPXKHJSA-N 255.421 4.628 30 10 CJEE C=CCOc1cccc(NC(=O)CCCCCC(C)C)c1 1518226585 QWMFINSLKZRJDI-UHFFFAOYSA-N 289.419 4.796 30 10 CJEE C=CC[C@H](C(=O)O[C@@H](C)c1cccc(C)c1)c1ccccc1 1521058553 IGGHXQHDTFHILX-LPHOPBHVSA-N 294.394 4.959 30 10 CJEE C=CC(C)(C)CC(=O)N(CCC)c1ccc(Cl)cc1 1531455146 AMEZFWUKULVWAD-UHFFFAOYSA-N 279.811 4.685 30 10 CJEE C=CCCC[C@H](C(=O)N1C[C@@H](C)CC[C@H]1C)c1ccccc1 1532594064 XOQLABCLIOCTKB-SCTDSRPQSA-N 299.458 4.774 30 10 CJEE C=C[C@](C)(CC)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1533363050 BJYIPFRURRRLIS-HXUWFJFHSA-N 293.410 4.919 30 10 CJEE C=C[C@@](C)(CC)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 1538114476 HDFFRCUYISBVCM-PXNSSMCTSA-N 299.458 4.809 30 10 CJEE C=C(C)CCC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C 1544579844 VZKXVTRWSKNUPP-MRXNPFEDSA-N 295.373 4.525 30 10 CJEE C=CCC1(NC(=O)c2scc(C)c2Cl)CCCCC1 1544862522 KCLFHZSRLWPKOC-UHFFFAOYSA-N 297.851 4.719 30 10 CJEE C=C[C@H](OC(=O)[C@H]1CCCC[C@H]1CC)c1ccccc1 1587282769 JBRBCDQRQOJZTI-PVAVHDDUSA-N 272.388 4.673 30 10 CJEE 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1912062484 CBVGATVDKUXDIL-KGLIPLIRSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCC[C@@H](O)C1CC2(CCCO2)C1 1912561564 IALNYUNQBYYABH-LXPRWKDFSA-N 282.468 4.837 30 10 CJEE C=CCC1(Nc2nc(Cl)c(Cl)cc2Cl)CCC1 1913962580 KEWXEEDQNYNNJP-UHFFFAOYSA-N 291.609 4.953 30 10 CJEE CCCCCCCCC[C@H](C[C@@H]1OCC[C@@H]1C)NC 1918093170 RUFPESADRIDABS-BBWFWOEESA-N 269.473 4.530 30 10 CJEE CCCCCCC[C@@H](NC)[C@](C)(O)CCCCCC 1920571333 JCBDSOFIDUYKMW-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=C([C@@](C)(O)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922965342 LGSSNZRZLYPMTF-CYBMUJFWSA-N 289.278 4.635 30 10 CJEE C=CCCCCC[C@H](NC)[C@@H](C)C1CCCCC1 1924086576 NODQHNSHTMHERZ-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CC1(C)CCC[C@@H](N=C2N[C@H](CC3CCCC3)CS2)C1 1926661621 BPHCPTNHXHEWNE-HUUCEWRRSA-N 294.508 4.597 30 10 CJEE CCC1CCC(C#N)(c2ccc([N+](=O)[O-])c(Cl)c2)CC1 1927643773 VKZWGJVHZSQTHX-UHFFFAOYSA-N 292.766 4.610 30 10 CJEE Cc1ccc2oc(C(=O)C=Cc3ccccc3)cc2c1 1962725779 AXLKMJFVECEGSZ-UHFFFAOYSA-N 262.308 4.637 30 10 CJEE C=C(C)CC[C@@H](C)N[C@@H](C)c1c(F)cccc1Cl 1964220507 OXADSZMTBUVKEE-NEPJUHHUSA-N 269.791 4.875 30 10 CJEE CCCCCCC[C@@H](C)NCC1([C@@H]2CCCO2)CCC1 1967818237 YMFYCTOFSIZQEV-SJORKVTESA-N 281.484 4.674 30 10 CJEE C=C(Cl)C[C@@H](NCCC)c1cc(C)sc1C 1978559737 GCMQBYSQRAHQMZ-CYBMUJFWSA-N 257.830 4.548 30 10 CJEE CC1CCC(C#N)(Cc2csc(Br)c2)CC1 1994465806 SFHVMUMKBMESGZ-UHFFFAOYSA-N 298.249 4.773 30 10 CJEE CCCCCCCOCc1cnc(Cl)cc1C 2003385950 AMZYUOHDCYNKNT-UHFFFAOYSA-N 255.789 4.530 30 10 CJEE C=C1CC(C[C@H](NC)c2cc3sccc3s2)C1 2011089829 FJDHVUGDNORDJW-NSHDSACASA-N 263.431 4.580 30 10 CJEE C=C(F)C[C@H](NCCC)c1cccc(Cl)c1Cl 2011352527 WNBOBDUITQGHON-LBPRGKRZSA-N 276.182 4.907 30 10 CJEE C=CCCCCCC[C@@H](CSC(C)C)NCC 2026022260 RYMNPEPQTASQBA-HNNXBMFYSA-N 257.487 4.633 30 10 CJEE C=CCCC(C)(C)NC1CCC(C(C)(C)C)CC1 2027022902 KQLCGDGEMPDNCZ-UHFFFAOYSA-N 251.458 4.926 30 10 CJEE SCC1(COc2cccc3ccsc23)CCCC1 2028079161 OCIXEFDHXQCAGX-UHFFFAOYSA-N 278.442 4.770 30 10 CJEE CCCCCCCCNCC1CC[C@H]2C[C@@H]2CC1 2028961299 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C=CCC[C@@H](C)[C@H](O)c1ccc(Cl)c2cccnc12 2102093269 QKZCHYSZTLKTPT-BZNIZROVSA-N 275.779 4.524 30 10 CJEE CCCCCCC[C@]1(CNCCC)COC(C)(C)C1 2103152845 SNXVOIBUDRHTAL-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE C=C1CC(CNC(C)C)(Cc2cc(Cl)ccc2Cl)C1 2103339992 OCFWKXFPJRBCDY-UHFFFAOYSA-N 298.257 4.870 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC[C@H]1NCC 2105720662 AGNDPUAKPMRXCD-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CC1=C[C@@H](C)C[C@H](C(=O)CC#CC2CCCCC2)C1 2107715554 RYVQOGJCJOLBPL-PBHICJAKSA-N 258.405 4.522 30 10 CJEE CCCC[C@@](C#N)(CC)Cc1c(Cl)c(C)nn1CC 2108208951 XPJNIADGCMERFF-HNNXBMFYSA-N 281.831 4.518 30 10 CJEE CCCC[C@@](C#N)(CC)[C@]1(O)CCCC12CCCC2 2108214483 VZYKYADFLLTOHB-NVXWUHKLSA-N 263.425 4.572 30 10 CJEE CC(C)C1(CN(C)CC2(CS)CCCCCC2)CC1 2108280243 LUIUAGJBISGEJK-UHFFFAOYSA-N 283.525 4.625 30 10 CJEE C=C1CCC(C[C@@H](N)[C@@H]2CCCCCC2(F)F)CC1 2108647525 FYWJLNQXGULDRI-LSDHHAIUSA-N 271.395 4.666 30 10 CJEE CCCCCCC[C@@H](NC)c1cc2ncccc2s1 2108680462 HUWFCPIPWPVXHX-CYBMUJFWSA-N 276.449 4.917 30 10 CJEE C=CC1(C[C@@]2(CNC(C)C)CC[C@H](CC)C2)CCC1 2111708492 NNCJUYSPQVWXLU-FUHWJXTLSA-N 263.469 4.927 30 10 CJEE C=CC1(C[C@]2(CNCC(C)C)CCC[C@H]2C)CCC1 2111711960 SLMAKFMGNFRNLF-AEFFLSMTSA-N 263.469 4.785 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@H]1CCCC(C)(C)C1 2112219053 ZYDBWGCGJVMRBQ-DLBZAZTESA-N 263.469 4.765 30 10 CJEE Cc1cc(C[C@]2(C#N)CCCC(C)(C)C2)cc(Cl)n1 2112231277 KEQNSXHWLIXMHD-MRXNPFEDSA-N 276.811 4.696 30 10 CJEE C=CC1(CC[C@@H](NCC)c2ccc(C)cc2)CCC1 2113325847 RGYOLXGEJBSDLB-QGZVFWFLSA-N 257.421 4.782 30 10 CJEE C=C[C@@H](C)C[C@@H](CC#CC1CCCCC1)NCCC 2116655997 MHPMQFOOOLWEAD-SJLPKXTDSA-N 261.453 4.541 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)CCCC12CC2 2117005835 ZFSNCBYAGMDYEE-UKTARXLSSA-N 265.347 4.532 30 10 CJEE CCCCCCCCCOCC1(N)CCC(C)CC1 2119687823 MQBUKERIZXNEGW-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE O=CC1(CC=Cc2ccccc2)CCC2(CC1)CC2 2120061968 PYPVESXJSIKLCX-UHFFFAOYSA-N 254.373 4.629 30 10 CJEE N#Cc1cc(NCc2cc(C(F)F)cs2)ccc1Cl 2120929020 QLINRANYWHAGLK-UHFFFAOYSA-N 298.745 4.823 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@@H]2CC23CCCC3)CC1 2125182078 ZIBFNXFWTCUAQI-GJZGRUSLSA-N 260.421 4.908 30 10 CJEE CC[C@H]1CC=C(C(=O)C23CCC(CC2)C3(C)C)CC1 2125192617 JXOOPDPIZDLVQB-UQHVZDHRSA-N 260.421 4.908 30 10 CJEE C#CC(CC)(CC)NCC1CCC(C(C)(C)C)CC1 2126177788 NPKNWTNFYYWIJQ-UHFFFAOYSA-N 263.469 4.621 30 10 CJEE CC[C@H]1CCC[C@](C=O)(C2CC3(C2)CC(C)(C)C3)C1 2127321001 RYNHAJLDILMMHT-KSSFIOAISA-N 262.437 4.988 30 10 CJEE C=C1C[C@@H]1C[C@]1(CNC(C)(C)C)CCCC(F)(F)C1 2128423509 MJRXKGWHTMONAV-UKRRQHHQSA-N 271.395 4.536 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1C[C@@H]1C(F)(F)F)NCC 2128832311 UEDDQVSIIJGCSM-MCIONIFRSA-N 277.374 4.690 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1ccc(F)c(Cl)c1F 2135974172 DFCJTYRIMLQWMQ-UHFFFAOYSA-N 299.107 4.887 30 10 CJEE CC(C)(C#N)CCOC[C@H]1C[C@H]1C1CCCCCC1 2135987617 HQCJGHKXMYZLPQ-CVEARBPZSA-N 263.425 4.549 30 10 CJEE CCCC#CC[C@H](NCCC)C1CCC(C)(C)CC1 2138959360 QYSYLGGMEVATBZ-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE CCCCC#CC[C@@H](NCCC)[C@H](C)C1CCCC1 2138984739 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289.850 4.625 30 10 CJEE CCCCCCCC[C@@H](C)N[C@@H](CCO)C1CCCC1 2240639663 HYASWHCVYJCJEP-AEFFLSMTSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)C1CCCCC1 2240641540 BSNNYPVMVQCLNI-MSOLQXFVSA-N 283.500 4.656 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](CC1=CCCC1)NC 2240667447 WMGHJLMRWGFQKY-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=C(CC)Cc1cccc(Cl)c1Br 2242029336 JNTQEGJIQQHVDC-UHFFFAOYSA-N 259.574 4.611 30 10 CJEE CC1(C)C[C@@H]1CSCC1(CS)CCCCC1 2242833835 OQSXUWXXEZVUBD-GFCCVEGCSA-N 258.496 4.646 30 10 CJEE C=CCCSc1ccc(Cl)cc1CNCCC 2250017094 UNDQXCDAGYHWCW-UHFFFAOYSA-N 269.841 4.508 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1scnc1Cl 2250135935 KUGWGDXZPVBZCH-LLVKDONJSA-N 272.845 4.584 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC[C@@H](C)C1)CNC(C)C 2253927738 CSNXUSILCOPOIO-BRWVUGGUSA-N 251.458 4.783 30 10 CJEE CC1CC(CS)(CSC[C@H]2CCCCC2(F)F)C1 2256112777 GDNKIZSBPPAWCI-OTTFEQOBSA-N 294.476 4.891 30 10 CJEE CC(C)=CCC[C@@H](C)CCOC[C@H](C#N)C(C)C 2257436257 RYKJVETXALUKIO-CVEARBPZSA-N 251.414 4.571 30 10 CJEE 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4.613 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1CC[C@@H](OCC)C1 2287420731 JZUVCDOLPUYQBC-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=C(CC)C[C@@H](OCCC(=O)O)c1ccc(Cl)cc1C 2291614142 AWEPDYOYOKMFQD-OAHLLOKOSA-N 296.794 4.537 30 10 CJEE C=C(C)CCCC[C@@]1(OCC(=O)O)CCCCC[C@H]1C 2292727721 OMSHIFUZZIQFJB-WBVHZDCISA-N 282.424 4.563 30 10 CJEE C=CC=CCC[C@H](CCCCCCCC)OCCCN 2293719748 BDMLWEUCVHIFKH-GOSISDBHSA-N 281.484 4.993 30 10 CJEE CCCCCCC[C@H](OCCN)C1CCC(CC)CC1 2294364394 WBPZXZASGACNCX-ABHNRTSZSA-N 283.500 4.907 30 10 CJEE CCN[C@@H](C#Cc1ccccc1Cl)CCC1CCCC1 2295212535 UMJLRJYEZZRMIM-QGZVFWFLSA-N 289.850 4.640 30 10 CJEE CCCCCCCCC[C@](C)(CN)N1C[C@H](C)C[C@@H]1C 2295523317 XTOVWYKBRYQLQM-FGTMMUONSA-N 282.516 4.575 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NC(C)C)[C@H]1C 2295761466 NYTVQRCEIWOVTA-BBWFWOEESA-N 296.524 4.749 30 10 CJEE CCCCCCC[C@@H](O)C[C@@H]1CCC[C@H]1C(F)F 2313054004 IQZRCUJEKRWSJH-BFHYXJOUSA-N 262.384 4.779 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1C[C@H]2CC[C@@H]1C2 2313155742 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C=C[C@@H](C)C[C@@H](C[C@@H]1C[C@H]1C1CCCCC1)NCC 2332781638 QUPKQYNNJOEADW-BGTYHANMSA-N 263.469 4.783 30 10 CJEE C[C@H]1CCC[C@](C=O)(C[C@@H]2C[C@H]2C2CCCCC2)C1 2332784240 OWMRTNQDKXAYCT-LEUOFYLZSA-N 262.437 4.988 30 10 CJEE CCCN[C@@H](C#CC1CCC1)C[C@H](CC)C(C)(C)C 2337440116 UVVQXNXORGXFDU-IRXDYDNUSA-N 263.469 4.621 30 10 CJEE CC[C@]1(C)CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2338159966 SWTUUQGAKLDCEQ-OAHLLOKOSA-N 294.851 4.710 30 10 CJEE C=CCC(CC=C)[C@@H](CC1(CSC)CC1)NCCC 2338739510 WOEOWGBDJFTPKH-MRXNPFEDSA-N 281.509 4.656 30 10 CJEE C=CCC(CC=C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 2338742243 UPBSURJNNCIMMA-BHYGNILZSA-N 260.421 4.930 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1[C@@H](C)C[C@H]1C 2339085182 CCFLFUXJBDYMAY-VVLHAWIVSA-N 268.489 4.641 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2339563384 BUUMSXBCLSGTHO-IAQYHMDHSA-N 296.241 4.694 30 10 CJEE CC(C)(C)[C@@H]1CC[C@@H]1Nc1cc(Cl)c(F)cc1C#N 2343131092 YOEYKPRWSOPGHN-MFKMUULPSA-N 280.774 4.587 30 10 CJEE COC(C)(C)C1(CC2(C#N)CCC(C)(C)CC2)CC1 2343758015 YIKPXHCLHLWXCI-UHFFFAOYSA-N 263.425 4.692 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1C[C@@H]2CC[C@H]1C2)NCCC 2344337058 NUCZYERIJBFGGQ-QZWWFDLISA-N 263.469 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1(C(F)(F)F)CC1)NCC 2344384782 MWUKRQQNRAQDOF-OLZOCXBDSA-N 277.374 4.690 30 10 CJEE CC1(C)CC(CS)(CN2CCCCCCCCC2)C1 2345019756 VLPUEVMYYSKYJZ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE N#Cc1cccc(OCc2cc(F)c(Cl)cc2Cl)c1 2349866996 GGRFAXVZKKMHKL-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCCCCCC[C@@H](F)[C@@H](CN)OC 2352316843 SWAGPNWEHUPOBJ-HZPDHXFCSA-N 275.452 4.609 30 10 CJEE C=CCC[C@H](C)[C@@H](NCCC)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 2354779764 WOFPMLLNOGODDM-ZVDSWSACSA-N 285.422 4.638 30 10 CJEE CCCCCCCCC[C@@](C)(N)C[C@H]1C[C@@H]2CC[C@H]1O2 2360175181 AFAKMXGOBFJHMX-XMTFNYHQSA-N 281.484 4.802 30 10 CJEE COc1ccc(CSCC2CCC(C)CC2)cc1C#N 2360477121 QBWLKSRTIWZUKO-UHFFFAOYSA-N 289.444 4.626 30 10 CJEE CC(C)(C#N)c1ccc(-c2ccc(Cl)cc2)cc1 41326152 CDTMSWPUXUNIKM-UHFFFAOYSA-N 255.748 4.808 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccccc1N(C)C 59460442 DRUYDDSXVZLZHS-OAHLLOKOSA-N 262.441 4.914 30 10 CJEE C=C(C)COc1ccc(CN[C@H](CC)c2ccccc2)cc1 66117012 LUASJIKZRFMUMI-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccccc2)c(C)cc1OC(C)C 83193663 UFPFXZPUYDXTOO-ZHACJKMWSA-N 294.394 4.987 30 10 CJEE C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1C#N 88513541 UCGDWECBDBVSAM-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE C=C(CC)C[C@H](Cc1ccc(Cl)cc1Cl)NCC 97208485 HVZHSZOCSGSDKE-CQSZACIVSA-N 286.246 4.870 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@@H]1CCCc2sccc21 97284046 UILWIBJIDZIXFI-ZBFHGGJFSA-N 277.477 4.893 30 10 CJEE CC[C@H]1CCCN(CCCCCCCCCS)C1 97799232 FCQMRXXLHDJZIA-INIZCTEOSA-N 271.514 4.769 30 10 CJEE CCCCCCCCOc1ccc(C=O)cc1Cl 104170690 FYYDXNJNLYRJMQ-UHFFFAOYSA-N 268.784 4.892 30 10 CJEE CCCCCCCn1nc(C)c([C@H](CC)NCC)c1C 108043473 HHJSZWPFLBASHX-INIZCTEOSA-N 279.472 4.531 30 10 CJEE CCCCCCCCCCOC(=O)c1cc(N)ccc1F 109895690 IQPFRAHSKNNLTA-UHFFFAOYSA-N 295.398 4.705 30 10 CJEE CCCCCCCO[C@H](CNCCC)c1ccccc1 110067991 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CJKXPBNDIBOIBN-VQFNDLOPSA-N 263.469 4.905 30 10 CJEE CCCCCCCCCN1C[C@@H](C(C)C)NC[C@H]1CCC 250834552 TYKJZTBKVYBQMX-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)c2ccccc2Cl)C1 251701436 BGBQYVZYSZVWJX-WBOJAVRRSA-N 290.838 4.661 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1C[C@H]1c1ccccc1 253047668 RAJOUYLPDIAMOC-BZSNNMDCSA-N 257.421 4.515 30 10 CJEE CN(C(=Nc1ccccc1)c1ccccc1)c1ccccc1 254555924 RVHBMAQEZNRSBH-UHFFFAOYSA-N 286.378 4.901 30 10 CJEE CC(C)c1ccc([C@](C)(C#N)Cc2cccs2)cc1 259514955 KMGGINWOAOBSCD-KRWDZBQOSA-N 269.413 4.895 30 10 CJEE C[C@@H]1CCCC[C@@]1(C)Nc1cccc(Cl)c1C#N 308722799 FWXNUGOVDKAKAT-IAQYHMDHSA-N 262.784 4.592 30 10 CJEE C[C@@]1(CC#N)CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 310413717 PHGYZBIRDXGVFM-STQMWFEESA-N 270.159 4.517 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2cccc(Cl)c2)C1 317306179 NHDSVAHNTMARND-BBRMVZONSA-N 264.796 4.668 30 10 CJEE C=CCSc1ccccc1NCc1cc(C)[nH]c1C 328164608 ILTJMGNOYDQFBK-UHFFFAOYSA-N 272.417 4.522 30 10 CJEE CCCC1CCC(C#N)(COCc2ccccc2)CC1 379476271 SVNASOWTHICOGE-UHFFFAOYSA-N 271.404 4.703 30 10 CJEE CC[C@H]1CCC[C@](C#N)(c2ccc([N+](=O)[O-])cc2Cl)C1 380595753 MKRNUVKPQAEJGN-NHYWBVRUSA-N 292.766 4.610 30 10 CJEE Cc1ccccc1N[C@H](C#N)C1CCC(C(C)C)CC1 383565454 KZRBSFWIRGBDRZ-LEOMRAHMSA-N 270.420 4.762 30 10 CJEE CCCCCCC[C@H](NCC)c1sccc1F 383651240 HMNKTBHRYXIKIY-ZDUSSCGKSA-N 257.418 4.898 30 10 CJEE C1CCCC(C/N=C2/N[C@H](C3CCCCC3)CS2)CC1 389552799 SDMGBMATERBWHC-INIZCTEOSA-N 294.508 4.598 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCC[C@H](O)C2)CC1 394276754 YJQRNFZGFNWUPM-VUGNNNGISA-N 277.452 4.674 30 10 CJEE CC(C)c1ccccc1NC[C@H](C#N)C1CCCCC1 397233600 WSDQRFNARWRWRK-INIZCTEOSA-N 270.420 4.942 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1ccccc1Cl 398118722 QDFIBBHANIKUPC-QWHCGFSZSA-N 251.801 4.735 30 10 CJEE CCCCCCCCCC[C@H](NC)c1cc(OC)ns1 400272812 UFYWQMPUXNDUFI-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CC1CCC(C#N)(CCc2c(F)cccc2F)CC1 403043377 XXPMBVLMEOPMQQ-UHFFFAOYSA-N 263.331 4.617 30 10 CJEE C/C=C(/CC)C(=O)c1cc(C(F)(F)F)ccc1Cl 406023608 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4.735 30 10 CJEE CCCCCCC[C@@H](C)Nc1nnc(CC(C)C)s1 230289809 RRXRNNMKUDMLSX-CYBMUJFWSA-N 283.485 4.898 30 10 CJEE CCC(C)(CC)Nc1ccc(C#N)c(C(F)(F)F)c1 230959251 SFHLTKXUBFYSCP-UHFFFAOYSA-N 270.298 4.568 30 10 CJEE C=C(CNC(C)(C)C)CSCc1ccccc1Cl 232559191 WWILJZJVHYUFPV-UHFFFAOYSA-N 283.868 4.518 30 10 CJEE CCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232922531 RMACSDRIPHVYDF-XGUBFFRZSA-N 290.538 4.724 30 10 CJEE CCCCCCCC[C@H](O)C(C(F)(F)F)C(F)(F)F 232966396 FLYUPWQEUKYFKR-VIFPVBQESA-N 294.279 4.839 30 10 CJEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)cc1C 233582885 PRHGVYYACSQOAX-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)c2ccccc12 233835919 DBLIHOCWQRAVMU-KGLIPLIRSA-N 266.388 4.948 30 10 CJEE C=CCCCCC[C@@H](O)c1ccc(Cl)cc1C 235766416 HYGFBFRZBKAREW-OAHLLOKOSA-N 252.785 4.818 30 10 CJEE N#C[C@]1(Cc2ccc(C(F)(F)F)cc2)C[C@H]2CC[C@H]1C2 252813115 HYJBPEKFXCLSDI-QEJZJMRPSA-N 279.305 4.578 30 10 CJEE C=C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)C(=O)C[C@]32C)O1 257415957 FJWOJBDVJXUBLL-CTMNZFAUSA-N 290.447 4.532 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2sccc2Cl)C1 304531751 IVISUUMNBYOQQM-MFKMUULPSA-N 253.798 4.664 30 10 CJEE CCCCCC[C@H](CC#CC(C)(C)C)NCCC 310684117 KWDRRCQMOZQPJY-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE C=C([C@@H](NCCC)c1cccc(F)c1Cl)C(F)(F)F 311425398 FWUUANDTYQBHDC-GFCCVEGCSA-N 295.707 4.638 30 10 CJEE N#Cc1ccc(Oc2ccc(C#N)c(Cl)c2)c(Cl)c1 311508455 NDOMZYZDIDQNCQ-UHFFFAOYSA-N 289.121 4.529 30 10 CJEE CC1(C[C@]2(C#N)CCc3ccccc3C2)CCCC1 312059487 HFJWRGCKOMWTGG-SFHVURJKSA-N 253.389 4.656 30 10 CJEE CCC(=NO)c1ccc(OCc2ccccc2Cl)cc1 312111953 MZXJMEFVHYYJDJ-UHFFFAOYSA-N 289.762 4.507 30 10 CJEE N#C[C@@]1([C@H]2C=CCCCCC2)CCc2ccccc2C1 312755870 ZTZUVNUVNDMHIM-RBUKOAKNSA-N 265.400 4.822 30 10 CJEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1c(F)cccc1Cl 313538965 NRLKGTKHNKULFL-SNVBAGLBSA-N 295.785 4.728 30 10 CJEE C=CCCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 314075093 VKLFMUDKRYDDBA-IBGZPJMESA-N 283.390 4.861 30 10 CJEE CCCCCCCCc1ccc(C2OCCO2)cc1 382590907 XENSSCMMSWQVMP-UHFFFAOYSA-N 262.393 4.635 30 10 CJEE CCCCCCCCC[C@H](N)C(C)(C)OC(C)C 383964069 CZXVKQOPYJCERL-HNNXBMFYSA-N 257.462 4.658 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](C)CCOC 386199692 FMDLVAWSXLMKOD-CVEARBPZSA-N 258.446 4.551 30 10 CJEE CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 390779232 IBCYKAUEMXXELD-GUDVDZBRSA-N 298.474 4.863 30 10 CJEE O=C(C=C1CCCCC1)c1ccc(F)cc1C(F)(F)F 400134924 SVDJOGZIVMYVAF-UHFFFAOYSA-N 286.268 4.918 30 10 CJEE C[C@](C#N)(C[C@H]1CCCC(F)(F)C1)c1ccccc1 405571716 CTZULAZCGRIONH-UKRRQHHQSA-N 263.331 4.683 30 10 CJEE CCc1cc(C(=O)/C=C\c2ccccc2)ccc1Cl 642882738 DIXGPSQTBRIVGC-FLIBITNWSA-N 270.759 4.799 30 10 CJEE CCCCCCCC[C@]1(CNCC)C[C@H](C)O[C@H]1C 686458863 HYRSCGVZNFXITA-YESZJQIVSA-N 269.473 4.530 30 10 CJEE C[C@@H]1CC=C(C(=O)CC(C)(C)c2ccccc2)CC1 686734943 ZNFQCLJVOVTRGF-CQSZACIVSA-N 256.389 4.670 30 10 CJEE CCc1cccc(N=C2NC3(CCCCC3)CCS2)c1 687320834 WXSZTPGNRNXMCN-UHFFFAOYSA-N 288.460 4.666 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 692226974 MTLCEJHVGNIHTF-OGJJZOIMSA-N 275.480 4.926 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1[N+](=O)[O-] 692253350 RJHBNZJIARCNBW-AAEUAGOBSA-N 294.782 4.795 30 10 CJEE C[C@H]1CCC[C@@H](N(C)CC2(CS)CCCCC2)CC1 697838624 RJAKYSLCNGVZEK-JKSUJKDBSA-N 283.525 4.767 30 10 CJEE CCCCCCCCCCC[C@@H](O)Cc1nnc(C)s1 698702098 DNTPSGZGZCAWBQ-OAHLLOKOSA-N 298.496 4.671 30 10 CJEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)(C)C 698915002 CMPNARZFLWZNFF-QGZVFWFLSA-N 296.455 4.742 30 10 CJEE CC(C)CC1(Nc2ccc(C#N)c3ccccc23)CC1 701489384 KYQNONVELJKHIR-UHFFFAOYSA-N 264.372 4.702 30 10 CJEE C=CCCCCC[C@H](NCC)[C@@H]1CCCSCC1 702022390 CXQQCADMPAMJCW-CVEARBPZSA-N 269.498 4.634 30 10 CJEE CCC[C@H]1CCCCN(c2ccc(C#N)c(Cl)c2)C1 703206968 VTJNFBAUEHTNAZ-ZDUSSCGKSA-N 276.811 4.618 30 10 CJEE CCCCCCCNc1cc(C)c(N)cc1C(F)(F)F 703711244 CEUFRYGXQNWWGY-UHFFFAOYSA-N 288.357 4.978 30 10 CJEE Cc1ccc(C#N)c(N(C)[C@H]2C[C@@H](C)CC(C)(C)C2)c1 709181301 DBHLVXCRMLDVTE-ZBFHGGJFSA-N 270.420 4.518 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc2ccccc2c1 710581437 ISAMPVWKRXLTFF-INIZCTEOSA-N 259.780 4.633 30 10 CJEE CCCCCCC[C@@H](C[C@@H](CC)C(C)(C)C)NN 711098969 VZTLBQATXSYMBO-CABCVRRESA-N 256.478 4.641 30 10 CJEE C=CCCCCC[C@@H](C[C@H]1CCCC1(F)F)NC 714033227 GSWNBHQBDSZCHE-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 715707066 VKUVIFPTKCZNHJ-XQLPTFJDSA-N 291.401 4.936 30 10 CJEE CCCCCCCCC[C@@H](CCOC1CC1)NCC 716876644 YWGQVCLTFLDAFZ-INIZCTEOSA-N 269.473 4.674 30 10 CJEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@H](OC)CC1 718370104 HUMMEBRZFREFHK-BBWFWOEESA-N 269.473 4.673 30 10 CJEE CCCC(CS)(CCC)CO[C@H](C)C1CCC1 719754223 INWAASNPEOMABB-CYBMUJFWSA-N 258.471 4.708 30 10 CJEE C=C1CCC(C[C@@](C)(CNCC)c2ccccc2)CC1 724558910 LHCYZGSYOXAAHF-IBGZPJMESA-N 271.448 4.690 30 10 CJEE CCc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 725441213 MRXYGOMXZBOANK-UHFFFAOYSA-N 274.285 4.668 30 10 CJEE C=CCCCN(C)C(=O)/C=C(\CC)c1cccc(Cl)c1 744526732 QSWHRKMUCMJVCQ-BUHFOSPRSA-N 291.822 4.558 30 10 CJEE Cc1ccc(N=Cc2c(C)n(C)c3ccccc23)cc1C 1084520549 SXFQCZASIIENCP-UHFFFAOYSA-N 276.383 4.854 30 10 CJEE C=CCCc1ccccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 1128409356 DNJRNHYGQYACJN-GJZGRUSLSA-N 285.431 4.816 30 10 CJEE C#CC[C@@H](NCCC1CCCCCC1)c1ccccc1 1168724010 QDOLGMVYLGFALG-LJQANCHMSA-N 269.432 4.701 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C/C=C\c1ccc(Cl)cc1 1174780318 OQKGSAGHTLHVDN-JAXUFWTGSA-N 273.807 4.536 30 10 CJEE N#Cc1cnc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 1176570689 MUSAQHSQPISJDQ-UHFFFAOYSA-N 298.560 4.657 30 10 CJEE C=CCCc1ccccc1NC1CC2(CCCC2)C1 1181164379 XMTXMKHFDOKKAI-UHFFFAOYSA-N 255.405 4.940 30 10 CJEE C=CCCC1(CNC(=O)N[C@H](C)C(C)(C)CC)CCCC1 1230872192 CBZGGDQBOLTQJK-OAHLLOKOSA-N 294.483 4.637 30 10 CJEE C=CC(C)(C)CC(=O)N1c2ccccc2CC[C@H]1C(C)C 1266500061 BWPWZWXGSJLFEE-INIZCTEOSA-N 285.431 4.593 30 10 CJEE C=CCC1(C(=O)N(CCC)CC2CCCCC2)CCCC1 1291974117 TZGKANQMEBPLOF-UHFFFAOYSA-N 291.479 4.942 30 10 CJEE C=CCC1(NC[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 1308766793 VTWYPYKUJNWLFF-ZWKOTPCHSA-N 269.432 4.659 30 10 CJEE C#Cc1cccc(NC(=O)/C=C/[C@]2(C)CC[C@H](C)C2(C)C)c1 1353337428 MDIKEDLLEYJSQO-WNFUFJHASA-N 295.426 4.625 30 10 CJEE C=C[C@](C)(CC)C(=O)Nc1cc(Cl)ccc1SC 1355891956 SKKAOIZHIMWVLS-CQSZACIVSA-N 283.824 4.603 30 10 CJEE CCCCCCCN1CCSC(CC)(CC)C1 1459898430 AMPYVMAILBOQLH-UHFFFAOYSA-N 257.487 4.564 30 10 CJEE C=CC1(CC(=O)OC2CCC(F)(F)CC2)CCCCC1 1461828430 XHWWGBQZXUXSAO-UHFFFAOYSA-N 286.362 4.634 30 10 CJEE C=CCN(Cc1ccc2occc2c1)Cc1ccccc1F 1461947844 FHKIEWRJYSSMHJ-UHFFFAOYSA-N 295.357 4.760 30 10 CJEE C=CCN(CCc1ccccc1)C[C@@H]1CCC[C@@H](CC)C1 1461983201 QIAKVGGHWPQAIR-UYAOXDASSA-N 285.475 4.934 30 10 CJEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(F)c2ccccc12 1462301263 UGRRDPYLMYBHDR-KGLIPLIRSA-N 271.379 4.984 30 10 CJEE CCCCCCCCN1CC[C@@H]1c1ccc(F)cc1 1473628642 XKIREWIMDNEWIF-QGZVFWFLSA-N 263.400 4.933 30 10 CJEE C=CC[C@@H]1CCN1CC1CCC(c2ccccc2)CC1 1473865177 MKTVBUDZZXJZJB-NKELODKYSA-N 269.432 4.611 30 10 CJEE C=CC[C@@H](C(=O)NC1CCC(CCC)CC1)c1ccccc1 1518378163 HRQQHSHJSGFFPF-NKELODKYSA-N 299.458 4.821 30 10 CJEE C=CCC1(CNC(=O)C=C2CCC(C)(C)CC2)CCCC1 1521316979 YQFKAUXBAVUIMN-UHFFFAOYSA-N 289.463 4.766 30 10 CJEE C=C(C)COc1cccc(NC(=O)[C@@H](CC)CC(C)C)c1 1528138503 PKHZPHIEYCBSSY-HNNXBMFYSA-N 289.419 4.652 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)c1ccccc1-c1ccccc1 1536089218 MXPODXXPZKIHDH-MRXNPFEDSA-N 293.410 4.919 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1537454796 HPDZYDLANGYQGQ-IIDMSEBBSA-N 279.468 4.700 30 10 CJEE CCCCCCCCC(=O)NC1(c2ccc(F)cc2)CC1 1543542155 BJAVWHMYKXYHCT-UHFFFAOYSA-N 291.410 4.682 30 10 CJEE C=C[C@H](C(=O)N(CC)c1cc(C)cc(C)c1)c1ccccc1 1545022692 UFQGGINONAPAHX-IBGZPJMESA-N 293.410 4.626 30 10 CJEE C#C[C@H](NC(=O)[C@@](C)(CC)CCCCCC)C(C)(C)C 1583585525 WCPBORVAFNXIME-YJBOKZPZSA-N 279.468 4.537 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)c1cc2sccc2s1 1585794367 ZTVBAQICUPPYEB-LLVKDONJSA-N 291.441 4.534 30 10 CJEE C=C(CC)CSc1nccn1-c1cccc(Cl)c1 1613425795 BBEZIPWLQNNKBI-UHFFFAOYSA-N 278.808 4.584 30 10 CJEE C=CCCCCSc1cccc(Br)c1 1613533792 QOBASCZGABOSJL-UHFFFAOYSA-N 271.223 4.898 30 10 CJEE C=CCCC[C@H](NC(=O)C=C1CCCC1)c1ccccc1 1625197694 XIKITGFNCXZJNO-SFHVURJKSA-N 283.415 4.701 30 10 CJEE C=CCC[C@@H](Nc1ccnc(C(C)C)n1)c1ccccc1 1642472158 RXRJLWBTECAKAF-MRXNPFEDSA-N 281.403 4.719 30 10 CJEE C=CCCC[C@H](NC/C(Cl)=C\Cl)c1ccccc1 1654660538 RVLSKTVEZOHZOU-GOFCXVBSSA-N 284.230 4.993 30 10 CJEE C=CCCCCN1CC[C@@H](c2ccc(F)cc2)C1(C)C 1655287590 LCVMZGNTVWWWTC-KRWDZBQOSA-N 275.411 4.750 30 10 CJEE C=CCC1(CNCc2cccc3ccoc23)CCCC1 1657359612 ONSBXJWQIZLPSQ-UHFFFAOYSA-N 269.388 4.659 30 10 CJEE C=CCCCN1CCCCC[C@@H]1c1ccc(CC)o1 1657368228 BVVKMUDFEJCOIL-MRXNPFEDSA-N 261.409 4.725 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(C#N)ccc1OC 1659392742 GIOHKCPDSVRFKV-AWEZNQCLSA-N 274.408 4.728 30 10 CJEE C=CCCCCCN[C@@]1(c2ccccc2)CC1(C)C 1659583108 YMAOXQOQEIBLLT-GOSISDBHSA-N 257.421 4.648 30 10 CJEE C=CCCC1(CN[C@H](C)CCC(F)(F)F)CCCC1 1659649554 RNLRDWSCUDOFBS-CYBMUJFWSA-N 277.374 4.834 30 10 CJEE CCCCCCCCCN1C[C@@H](C(F)(F)F)[C@@H](C)C1 1883428456 JSLFQCPNHYXGRQ-UONOGXRCSA-N 279.390 4.867 30 10 CJEE CC#CCCCC[C@H](CC1CC(C)(C)C1)NCCC 1885235964 JNUNGDAIRYVOIO-QGZVFWFLSA-N 263.469 4.765 30 10 CJEE CC#CCCCCC(=O)[C@H](c1ccccc1)C(C)C 1885379661 CLINYHJOQALWCE-SFHVURJKSA-N 256.389 4.579 30 10 CJEE C#CC[C@H](CC(=O)C1(C)CCC(C)(C)CC1)C1CC1 1887398615 VMJLGSBXUAWKIG-OAHLLOKOSA-N 260.421 4.602 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)C(C)(C)C1CCCC1 1887453035 OQMULSLCKHUUPS-DOTOQJQBSA-N 263.469 4.621 30 10 CJEE C=CC1(C[C@@H]2CCCC(C)(C)[C@H]2NCCC)CCC1 1888284626 KBASGVKLBDIGMG-HOTGVXAUSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)Sc1cccc(Cl)c1N 1899326134 BPJFXQOYDHLUQE-UHFFFAOYSA-N 253.798 4.535 30 10 CJEE C[C@H]1O[C@@]2(CC3(C#N)CCCCCCC3)CC[C@H]1C2 1900955462 CJSGOQMIABVDSP-VYDXJSESSA-N 261.409 4.588 30 10 CJEE C=CC[C@@H]1CCN1c1cccc(Cl)c1[C@H](C)NCCC 1917087483 GZJSHZRGZWXURO-UONOGXRCSA-N 292.854 4.555 30 10 CJEE C=C1CCC(C[C@@H](O)c2cnc(Cl)c(Cl)c2)CC1 1917218042 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CJEE C=CCN(CC1CCC(CC(F)(F)F)CC1)C(C)C 2353193679 MEHHEVQWAQNYJR-UHFFFAOYSA-N 277.374 4.642 30 10 CJEE C=CCCCCCCCCN[C@@H]1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12 2358323727 VZWIDTHDAFFWPH-VHPHOLNESA-N 275.480 4.927 30 10 CJEE Cc1ccccc1N/N=C/c1cccc(Cl)c1Cl 7892152 BOLDTWZIPBKZGM-RQZCQDPDSA-N 279.170 4.748 30 10 CJEE CC(C)c1ccc([C@H](C)Nc2ccccc2C#N)cc1 19984191 XHTOOKNDAKLMQS-AWEZNQCLSA-N 264.372 4.855 30 10 CJEE Cc1ccc(S[C@H]2CCCCC[C@@H]2C#N)c(C)c1 37154864 CCTCTPHKSFKIJC-ZBFHGGJFSA-N 259.418 4.868 30 10 CJEE CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 37156107 FCNPLZLZMXWSDQ-HZSPNIEDSA-N 253.455 4.874 30 10 CJEE C=CCSc1ccccc1NCc1ccc(N(C)C)cc1 37766471 QHMKINSEEQVVCR-UHFFFAOYSA-N 298.455 4.643 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](n2nc(C)c(C)c2C)C1 40730066 STZPYHAZGTUWRL-YESZJQIVSA-N 287.451 4.726 30 10 CJEE CCc1c(-c2cc3ccccc3s2)sc(C#N)c1N 44273811 FNWIPBRSAUNCOD-UHFFFAOYSA-N 284.409 4.646 30 10 CJEE CCCCCC[C@@H](C)OCCCC[C@@](C)(C#N)NC1CC1 45323948 AYGCNLDDKTZQOV-AEFFLSMTSA-N 294.483 4.566 30 10 CJEE Cc1cc(CNc2ccc(C(C)(C)C#N)cc2)ccc1F 50545149 BMWRMZUZDRQENJ-UHFFFAOYSA-N 282.362 4.547 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccc(C(=O)NCC)cc1 59462113 YLDZRADHBFPYPQ-OAHLLOKOSA-N 290.451 4.597 30 10 CJEE CC1(C)[C@@H](Nc2cccc(Cl)c2C#N)[C@@]2(C)CC[C@@H]1C2 80150587 KVNBEUACFDQIIZ-JGFGOQIWSA-N 288.822 4.838 30 10 CJEE CCCc1nc(C2CCCCC2)sc1CS 82432094 XQDYVDJIFJWUAT-UHFFFAOYSA-N 255.452 4.573 30 10 CJEE CCC[C@@H]1CCC[C@](C#N)(NC2CCCCC2)CC1 86949517 PGLDAJURHFHXGP-WBVHZDCISA-N 262.441 4.551 30 10 CJEE CCCN[C@]1(C#N)CCC[C@H]1CCSC1CCCCC1 93580921 SGACXSXBQMPJIA-RDJZCZTQSA-N 294.508 4.504 30 10 CJEE CCC(C)(C)c1ccc(OC[C@@H](CS)C(C)C)cc1 94582855 TWXMWEKZOWVCKL-AWEZNQCLSA-N 280.477 4.955 30 10 CJEE SCCCCCOc1ccc(Cc2ccccc2)cc1 94584963 BDXVTYRPXIZPBC-UHFFFAOYSA-N 286.440 4.756 30 10 CJEE Cc1cc(C)c(OC[C@H](CS)C(C)(C)C)c(C)c1 94585552 YMGXSFADLKRCIJ-CQSZACIVSA-N 266.450 4.583 30 10 CJEE C=CCc1cc([C@H](C)N)ccc1OCCCCCCC 100133001 NARRLCQPIVROMF-HNNXBMFYSA-N 275.436 4.784 30 10 CJEE Cc1cc(Oc2ccc(/C=N/O)cc2)ccc1C(C)C 103858064 MKNFFHLTEOCDMF-WOJGMQOQSA-N 269.344 4.719 30 10 CJEE CCCCCCCNCc1ccc(F)c(Cl)c1 103970132 DQYBHODPHRWVTD-UHFFFAOYSA-N 257.780 4.539 30 10 CJEE CCCCCCC[C@H](NCC)c1c(F)cc(OC)cc1F 110220123 SCGVMAVGYLQENL-INIZCTEOSA-N 299.405 4.985 30 10 CJEE CC[C@@H]1CCCN1[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 110263312 FTQSBHWFWNMLGT-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CCC1(C)CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1 110265595 PFKJFOJDNSXDTL-ZACQAIPSSA-N 290.495 4.853 30 10 CJEE CSc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1 110981869 JYSBNMLHVJBGJK-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCCCC[C@H](COC)NCCC 112871900 RFSIOMWQFWCGBD-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCC[C@@H](CSc1ccccc1)NC 114870202 LSHNNPDMWVZKCQ-HNNXBMFYSA-N 265.466 4.727 30 10 CJEE CCCCCCC[C@](C)(CN)Nc1cccc(Cl)c1 115027038 XECAHVJSOVGWTO-MRXNPFEDSA-N 282.859 4.830 30 10 CJEE CCCCCCCN1C[C@@H](CC(C)C)NC[C@@H]1C(C)(C)C 115235542 ZEHMZHJXDNKVCB-QZTJIDSGSA-N 296.543 4.691 30 10 CJEE CC(C)Oc1ccc(NCC(C)(C)CCC#N)cc1Cl 122661425 DDMZYNGEGRZGBS-UHFFFAOYSA-N 294.826 4.869 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@]1(C)CCCO1 123624591 NZYWWIZDHNWDAB-SJORKVTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(CC)CCCN1 125402988 ZVYSTWOWVZRHPH-QGZVFWFLSA-N 267.457 4.619 30 10 CJEE CCCCCCCCCOc1cccc(C(=O)O)c1C 125528523 KEIUALSFRUAEHE-UHFFFAOYSA-N 278.392 4.823 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1ncc[nH]1 126783582 XOEPPIULCDOMLW-OAHLLOKOSA-N 266.429 4.754 30 10 CJEE CCCCCCCCCCNc1ccc([N+](=O)[O-])cn1 129414432 TZHOHJOSBPWGOO-UHFFFAOYSA-N 279.384 4.542 30 10 CJEE CC(=O)c1ccc(C#N)cc1Sc1ccccc1Cl 131383709 MMEXJYVKENPNFR-UHFFFAOYSA-N 287.771 4.565 30 10 CJEE CCCCCCC[C@H](Cc1ccc(Cl)s1)NC 160958858 JVUQGLIEAOWZCQ-GFCCVEGCSA-N 273.873 4.893 30 10 CJEE C=CC[C@@H](C)N[C@@H](C)c1sc2ccccc2c1C 162650726 NMVPIIGEYLAIAS-YPMHNXCESA-N 259.418 4.825 30 10 CJEE CCCCCCC[C@](N)(CC)c1cccc(F)c1 166877886 IGBGKKLFNLOCBP-MRXNPFEDSA-N 251.389 4.750 30 10 CJEE C=CCC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1 167776447 UYFDCWNZRIVCSK-CQSZACIVSA-N 271.326 4.712 30 10 CJEE CC(C)CCCCNc1cccc(Br)c1C#N 168579504 QQUOYPXDNXPWLX-UHFFFAOYSA-N 295.224 4.559 30 10 CJEE CCCCCCCCCC[C@]1(CNCC)CCCOC1 203407365 KLTQHBAPGSTDJV-GOSISDBHSA-N 283.500 4.924 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H]1C=C[C@@H](N)C1 226565521 HSGPDYRYSVGIGO-IAGOWNOFSA-N 279.468 4.770 30 10 CJEE CCCCCCCCOc1cc(CO)cc(C(C)(C)C)n1 228228832 QWNFKGLUWMRTCL-UHFFFAOYSA-N 293.451 4.611 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(Cc2cccc(Cl)c2F)C1 228393507 BZKLFDVKEVVPND-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CCCCCCCNc1ccc(C#N)cc1Cl 232923488 YVKMBDAOAALOEM-UHFFFAOYSA-N 250.773 4.594 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1CCO[C@H]1CC 232938078 RSRIDPVTQOPIST-HOCLYGCPSA-N 254.414 4.511 30 10 CJEE C=CCCCCCOc1c(C)cc(CNCC)cc1C 233531881 RAODCNUJQPAWBD-UHFFFAOYSA-N 275.436 4.538 30 10 CJEE C=CCCCCC[C@@H](NCC)c1ccoc1Cl 233610145 VGZVBMFPEXEPJQ-CYBMUJFWSA-N 255.789 4.720 30 10 CJEE Cc1ccc(N[C@H](C#N)c2ccc(C)c(Cl)c2)cc1 235887837 WHVUPYHZTPMXTR-MRXNPFEDSA-N 270.763 4.634 30 10 CJEE CCCCCCCCN1C[C@H](C)NC[C@H]1C1CCCCC1 250831865 RSRBHCNYJWACSN-HKUYNNGSSA-N 294.527 4.590 30 10 CJEE CCCCCCCCCC[C@]1(O)CCN2CCC[C@H]2C1 250838530 WLOWVTDHTOIXCG-ROUUACIJSA-N 281.484 4.507 30 10 CJEE CCCC(CS)(CCC)CN(C)C[C@@H]1C[C@H]2CC[C@H]1C2 251130786 JPRNCDMYJSQWPX-ULQDDVLXSA-N 297.552 4.871 30 10 CJEE CC[C@H](C#N)c1nc(-c2coc3ccccc23)cs1 259117710 GCSGGDOPTGKRAF-SNVBAGLBSA-N 268.341 4.573 30 10 CJEE C=CCCCCN[C@H]1CCC[C@H](C(C)(C)C)CC1 310898627 MGQFKFKIKYFHPV-HOTGVXAUSA-N 251.458 4.927 30 10 CJEE CCCCCCCCC(=O)Nc1cc(N)ccc1CC 312583843 OJXBKWFKSYILIP-UHFFFAOYSA-N 276.424 4.520 30 10 CJEE N#Cc1ccc(-c2csc(C(C3CC3)C3CC3)n2)cc1 312836827 MZTSDVKRWFFKFA-UHFFFAOYSA-N 280.396 4.585 30 10 CJEE CC(C)[C@@H](C)[C@@H](C#N)Sc1cccc(Br)c1 319629978 ATEJZZJJKUFFAV-ZWNOBZJWSA-N 298.249 4.725 30 10 CJEE C=C(C)CCNc1cc(Cl)ccc1OC(F)(F)F 328534722 ZQXOYIKCXLOILU-UHFFFAOYSA-N 279.689 4.617 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H]2CC(C)(C)OC2(C)C)C1 381713548 GPNBBDUUBMZFIC-KEYYUXOJSA-N 263.425 4.690 30 10 CJEE CC(C)(C)C1CCC([C@H]2CC[C@@](C)(CC#N)O2)CC1 382236240 WPQKIWIIDGJKAR-BOXZVXIZSA-N 263.425 4.690 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccc(C(F)(F)F)cc1 384886966 SHZNVSGCHPRSLX-BXUZGUMPSA-N 267.294 4.578 30 10 CJEE C=C(COCC)[C@@H](NCCC)c1csc2ccccc12 387598923 VKSQFXYKASPUID-QGZVFWFLSA-N 289.444 4.535 30 10 CJEE C=CC[C@H](CC)NCc1c(Cl)oc2ccccc12 393829636 UNZWJDKIALPIRC-NSHDSACASA-N 263.768 4.531 30 10 CJEE CCCCCCCC[C@@H](CCOCc1ccccc1)NC 395517483 HCRBELAVPIBXSN-IBGZPJMESA-N 291.479 4.932 30 10 CJEE N#C[C@H](CNc1cc(F)ccc1Cl)C1CCCCC1 397165577 ZCSSLDPARJHWDR-GFCCVEGCSA-N 280.774 4.611 30 10 CJEE CCC[C@@](O)([C@H]1CC1(C)C)C1(C#N)CCCCCCC1 397726826 VFZAFWVDAUMVNS-MAUKXSAKSA-N 277.452 4.818 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)C[C@@H](C)CC(F)(F)F 402867315 IPBBIFYGSMCQBG-YPMHNXCESA-N 265.363 4.545 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)CCc1c(F)cccc1F 402877229 CRKIWKQGSYIJEZ-WBMJQRKESA-N 263.331 4.617 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@@H](CCCC#N)c2ccccc2)C1 593629340 LPYFMCUTDPOBOQ-NEWSRXKRSA-N 282.431 4.756 30 10 CJEE CC[C@H](C)C[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688316611 VACPRZHUZAZMEY-UONOGXRCSA-N 265.441 4.530 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)C1CC(C)(C)CC(C)(C)C1 688344489 FLYQLYDPVSOSNT-INIZCTEOSA-N 277.496 4.867 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2cscc2s1 694415070 AKPUOGFUDLHBOT-GFCCVEGCSA-N 265.447 4.970 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)CC(C)(C)C(C)(F)F 697124888 RMRDDPFRUXAMKV-CQSZACIVSA-N 261.400 4.638 30 10 CJEE CCCCCCC[C@H](N)c1ccc(C(F)F)cc1 701162953 AJEULOSVNXMGMT-AWEZNQCLSA-N 255.352 4.985 30 10 CJEE C=CCC[C@H](C)Nc1ccc(Br)c(F)c1C 710409813 VCDGAYTVEOPHTG-VIFPVBQESA-N 286.188 4.663 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)C)CCC[C@@H](CC)C1 710620473 IKRAOUOUIVAEON-HUUCEWRRSA-N 257.849 4.714 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(C)c1Cl 715773344 YQNGWBGZAVMWMY-CZUORRHYSA-N 265.828 4.901 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](C(C)C)CC[C@H]1CNCCC 715798661 WSIJLGVAMQIXGD-MHORFTMASA-N 265.485 4.887 30 10 CJEE CCCCCCCCCCCC[C@H](O)COC1CC1 717715332 UEPRQXWTQAUDAW-INIZCTEOSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@H](OC)CC1 718370108 HUMMEBRZFREFHK-ULQDDVLXSA-N 269.473 4.673 30 10 CJEE CCCCCCCCCCSC(=N)NC1CC1 719128239 XNGBQEWCVDBXJP-UHFFFAOYSA-N 256.459 4.547 30 10 CJEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)C[C@H]2CC[C@H]1C2 719627786 WUBPXJSTHAENOC-WNHJNPCNSA-N 283.415 4.559 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C(C)(CC)CC 721703750 FSVNQUFNMYTWMJ-HNNXBMFYSA-N 251.458 4.621 30 10 CJEE C=C1CCC(CC2(C(=O)O)CCC(C)(C)CC2)CC1 724588274 IMWBIDMACRRIGF-UHFFFAOYSA-N 264.409 4.794 30 10 CJEE C=C1CCC(C[C@@H](NC)c2ccc(C)cc2C)CC1 724603543 XDDVHPSQKSFSJL-GOSISDBHSA-N 257.421 4.700 30 10 CJEE C=C(C)CNc1ccc(C(C)(C)C(F)(F)F)cc1 762271777 RUWVDPVDPAGOBU-UHFFFAOYSA-N 257.299 4.515 30 10 CJEE C=C[C@@H](CC(=O)Oc1cc(C)ccc1C)c1ccccc1 1124433541 WPGZCIOFUAVDAA-INIZCTEOSA-N 280.367 4.569 30 10 CJEE C=C[C@H](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1C 1126755138 SJIGLZARJFFGJO-LLVKDONJSA-N 285.309 4.555 30 10 CJEE C#CCCCCCCOc1ccc(Cl)c2cccnc12 1164620682 JJGVCGLODNNAJM-UHFFFAOYSA-N 287.790 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4.748 30 10 CJEE CCCCCCCCO[C@@H](C)CCCNC(C)C 107346481 HUDJYUCLRGEKQU-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CC#C[C@H](C)Cc1cc(Cl)cc(C(C)C)c1OC 107631824 TWIVXPMXSWPSGE-LBPRGKRZSA-N 264.796 4.674 30 10 CJEE CCCC#CCCc1cc(Cl)cc(Cl)c1OC 107655027 KYDRADLSBNBXPK-UHFFFAOYSA-N 271.187 4.738 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cccnc1 109722118 ZDSPSLVRHLRJGD-QGZVFWFLSA-N 262.441 4.873 30 10 CJEE CCCNc1nc(-c2ccccc2)c(C(C)C)cc1C#N 110116329 JRMGNGPUCDFVKV-UHFFFAOYSA-N 279.387 4.566 30 10 CJEE CC(C)N(Cc1ccccc1)c1ccc(Cl)cc1C#N 110252458 DGPNPNBIEZTDTR-UHFFFAOYSA-N 284.790 4.627 30 10 CJEE C[C@@H](Nc1cccc(Cl)c1C#N)C1CCCCC1 110258184 JIOGMSBKPXKDTA-LLVKDONJSA-N 262.784 4.592 30 10 CJEE CCCCCCCCn1nc(C)c(CNC(C)(C)C)c1C 110267745 ADQXJSGZZRDBQZ-UHFFFAOYSA-N 293.499 4.749 30 10 CJEE CCCCCCCCCN1CCCC[C@@H]1[C@@H](C)NCCC 111823774 PFVBXWCRQFIDEZ-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCN1C[C@@H](CCC)NC[C@@H]1CC(C)C 114348843 ZMJADRCZHKSTMH-MOPGFXCFSA-N 296.543 4.836 30 10 CJEE CCCCCCCCO[C@@H]1CCCC(C)(C)[C@@H]1NC 122994378 JJDKKLDHNHYXEI-HZPDHXFCSA-N 269.473 4.530 30 10 CJEE C=CCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 129053834 DEXCVMJPOOSFGD-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE C=CCC[C@H](NCC)c1cc2sccc2s1 129055773 VHOBESYERYMNRU-JTQLQIEISA-N 251.420 4.580 30 10 CJEE CCCCCCCC[C@@H](NN)[C@H](OCC)C1CCCCC1 131118595 KWOGEWHKDHSCSS-QZTJIDSGSA-N 298.515 4.554 30 10 CJEE N#C[C@H](Nc1ccccc1Cl)c1cccc(C(F)F)c1 131941241 GHIFAQNPZLTBJJ-AWEZNQCLSA-N 292.716 4.954 30 10 CJEE C=C(CC)C[C@@H](NC)c1ccc(Cl)c(Cl)c1 133213865 MJDUFMKERJXOGH-CYBMUJFWSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCCC(=O)c1cc(C)nn1CC 135634243 GCCGUXADQOEZPQ-UHFFFAOYSA-N 278.440 4.925 30 10 CJEE CCCCCCCCCCC[C@@H](CC1CC1)NN 157008146 DPCOIODXHWCHKE-INIZCTEOSA-N 254.462 4.539 30 10 CJEE CCCCCCCCOc1cc(NCC)nc(C(C)C)n1 163964564 JTGKYIYBAWZYSG-UHFFFAOYSA-N 293.455 4.771 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(Cl)cc1 164504467 DMVSLGSYFDYSAG-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N2CC[C@@H](C)C[C@@H]2C)C1 217945287 KPSHBEFTQTZIOF-DISONHOPSA-N 290.495 4.851 30 10 CJEE CCCCCCc1cc(C#N)sc1Br 218058864 YXUKNMWFULOUGK-UHFFFAOYSA-N 272.211 4.505 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H](CCC)CC1 226970906 HZRAIKFGZGGXOK-MOPGFXCFSA-N 296.543 4.967 30 10 CJEE CC1CCC(C#N)(Cc2ccc(F)c(Cl)c2)CC1 231079783 YKZMQBQAQXKAED-UHFFFAOYSA-N 265.759 4.742 30 10 CJEE CCCCCCCCCCNc1cccnc1OC 232926170 TULHMOWERLYJDF-UHFFFAOYSA-N 264.413 4.643 30 10 CJEE CCCCCCCCCN[C@@H]1CCC[C@H]1SC 232948158 BADXXVAUIMRSDT-HUUCEWRRSA-N 257.487 4.611 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(Cl)cn1 233544773 AUQMGNBQACRLKD-AWEZNQCLSA-N 266.816 4.522 30 10 CJEE C=CCCCCC[C@H](NC)[C@H]1CCC[C@@H](CC)C1 233911754 YAQPGWANNNLHBF-IKGGRYGDSA-N 251.458 4.927 30 10 CJEE CCCCCCCN1C[C@H]([C@@H](C)CC)NC[C@H]1CC(C)C 250823471 MJEVVMZAJHYHPD-IPMKNSEASA-N 296.543 4.691 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](OCC2(CS)CCCCC2)C1 251755997 DJQZDJFWGUFORM-FICVDOATSA-N 270.482 4.708 30 10 CJEE Clc1ccc(N=Cc2ccccc2)cc1Cl 256172847 XUTXYNASKXYQFK-UHFFFAOYSA-N 250.128 4.744 30 10 CJEE COc1ccc(C2(C#N)CCCCC2)cc1C(C)(F)F 260238646 AUECHTQTXJYRJP-UHFFFAOYSA-N 279.330 4.532 30 10 CJEE N#CC1(c2cccc(C3CCSCC3)c2)CCCC1 260534672 MOZDFHCGYDRGTJ-UHFFFAOYSA-N 271.429 4.633 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cccc(OC(F)(F)F)c1 312439627 WSHXIBJUEYSJLM-CQSZACIVSA-N 287.325 4.592 30 10 CJEE CCCCCCCCCCC[C@@H](NC)c1cn(C)cn1 312509398 LNHRTBTWPKFNEH-MRXNPFEDSA-N 279.472 4.602 30 10 CJEE CC[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)CC1 313429785 RRTOACNSAPVDBC-GDBMZVCRSA-N 256.393 4.523 30 10 CJEE C[C@@H]1CC[C@](C=O)(Cc2cccc(Cl)c2Cl)C1 316763379 SIVRMFAWWPZCDV-QMTHXVAHSA-N 271.187 4.541 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CCCc2ccccc2)C1 316847934 NMOHBIDXNHFPBZ-SJLPKXTDSA-N 258.405 4.795 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)(C)C)CCC[C@H](C)C1 318018306 XRGRXYMUBJYOIW-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@]1(C)CCC[C@@H](CNC(C)C)O1 382375214 NPCIVNAXVUQMOQ-DLBZAZTESA-N 269.473 4.673 30 10 CJEE CCCCCCCCC[C@H](CN)N1CC[C@@H](C)[C@H]1CC 383948772 SKFAPOOZWJOLCR-KZNAEPCWSA-N 282.516 4.575 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(Cl)ccc1[N+](=O)[O-] 385089209 XRISZQLOIUYFDF-ABAIWWIYSA-N 292.766 4.511 30 10 CJEE CCCCCCCCCCC(=O)[C@H](C)CCOC 386076971 DLHDCQLVTQJSHR-OAHLLOKOSA-N 256.430 4.759 30 10 CJEE C=CC[C@H](CC)n1c(S)nc2cc(C(F)F)ccc21 393782904 FFPOIXZGMAPHCE-JTQLQIEISA-N 282.359 4.790 30 10 CJEE C=CC[C@H](CC)N[C@H](C)CC(C)(C)c1ccccc1 393817917 ZPYRYRSIFWVPRC-WBVHZDCISA-N 259.437 4.687 30 10 CJEE CCC[C@@H]1CCCN1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 396919945 QGQAZCDNCOWWFJ-QBPKDAKJSA-N 276.468 4.605 30 10 CJEE CC(C)[C@H](C#N)CSc1ccc(Cl)cc1Cl 397560656 WCCKYSHHNCTSSP-SECBINFHSA-N 274.216 4.881 30 10 CJEE CCCCCCC[C@@H](NCCC)C1CCSCC1 401693778 IEJSLXGFMBJJOI-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE C[C@H](CC(F)(F)F)C[C@]1(C#N)CCCc2ccccc21 402525599 RADNBINTJWEAQW-WFASDCNBSA-N 281.321 4.763 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1CC[C@H]2C[C@H]2C1 403371123 MFXDQUBFJMTUQT-YVSFHVDLSA-N 251.458 4.891 30 10 CJEE C[C@@](C#N)(Cc1cc(Cl)ccc1F)c1ccccc1 405719184 TXUHMGLOEGUVTE-INIZCTEOSA-N 273.738 4.503 30 10 CJEE C#CCCCCC[C@]1(O)CCCCC[C@@H]1C(C)C 686682155 ZOIMBBHTLSNOFD-SJORKVTESA-N 250.426 4.538 30 10 CJEE Cc1cc(NC[C@@H](C#N)C(C)(C)C)cc(C)c1Cl 690304618 NQTUMRBQYIAXAA-GFCCVEGCSA-N 264.800 4.555 30 10 CJEE Cc1ccccc1N[C@@]1(C#N)CCCCC[C@@H]1C(C)C 691090991 STHCBNDFNRYXDQ-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE CC(C)(CC(F)F)C[C@@]1(C=O)CCCc2ccccc21 694115923 COODPHDHFXSXDM-QGZVFWFLSA-N 280.358 4.531 30 10 CJEE CCCCCCCCCCCC[C@H](O)[C@H]1CNC[C@@H]1C 695307059 MQBIBBJFJZNDNI-BZSNNMDCSA-N 283.500 4.514 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H]1CCCC2(CC2)C1 695954546 JFCQHEYVKWJORF-SJORKVTESA-N 275.480 4.765 30 10 CJEE C=CCCC(C)(C)CNc1cc(C)c(Br)cn1 707744182 STDUREJASQBWPG-UHFFFAOYSA-N 297.240 4.557 30 10 CJEE C[C@@H](CNc1ccc(Cl)cc1C#N)CC(C)(C)C 709189645 RFRSJDVNMNYHPE-LLVKDONJSA-N 264.800 4.696 30 10 CJEE C=C(Cl)C[C@H](CSc1ccccc1C)NCCC 710571897 HLYMADQIYDAYBZ-CQSZACIVSA-N 283.868 4.598 30 10 CJEE CCCCCCCCC[C@@H]1[C@@H](NCC)CCN1C(C)C 712133068 ZLSWQLWHUBOLOS-ZWKOTPCHSA-N 282.516 4.588 30 10 CJEE CC[C@]1(C)CCS/C(=N/[C@@H]2CCC[C@@H]3CCCC[C@@H]32)N1 714308974 GRSJMRANNOPPAT-LJIGWXMPSA-N 294.508 4.597 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccccc1C(F)(F)F 715705831 OYZNSMSEBAJMAG-IUODEOHRSA-N 285.353 4.958 30 10 CJEE C[C@@H](OC[C@@H](CS)C(C)(C)C)C1CCCCC1 719741798 CBUVJWYCBVWRNB-OCCSQVGLSA-N 258.471 4.564 30 10 CJEE C=C1CCC(CNc2cc(OC)ccc2Cl)CC1 724542169 JEACERZCCGKVFY-UHFFFAOYSA-N 265.784 4.507 30 10 CJEE C=C1CCC(C[C@H](NCC)c2ccc(F)cc2C)CC1 724565241 BAISBURDRJISGZ-SFHVURJKSA-N 275.411 4.921 30 10 CJEE C=C1CCC(C[C@H](NCC)c2cc(C)cs2)CC1 724603049 QVQBHXNVEUZBBZ-HNNXBMFYSA-N 263.450 4.844 30 10 CJEE C=CCOc1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 916135206 JHKKIBJBMNMGAF-XFXZXTDPSA-N 298.769 4.801 30 10 CJEE C=CC(C)(C)CC(=O)O[C@@H](C)c1ccc(Cl)s1 1127564236 DAUACKLYEAJZPA-VIFPVBQESA-N 272.797 4.608 30 10 CJEE C=CCC(CC=C)C(=O)O[C@H](CC)c1ccc(C)c(F)c1 1127646590 BSQVIIIRQCUBBP-QGZVFWFLSA-N 290.378 4.897 30 10 CJEE C=CCC[C@@H](C(=O)NCC1CCC(=C)CC1)c1ccccc1 1133320460 LWQDUZCNVAQGLS-LJQANCHMSA-N 297.442 4.599 30 10 CJEE C=C[C@H](C(=O)N(CC(C)C)c1ccccc1)c1ccccc1 1157300401 ROASEYZDDQAUKG-IBGZPJMESA-N 293.410 4.645 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H]1CCc2cc(Cl)ccc21 1174779271 CMZQQMMKYHCIEY-HLLBOEOZSA-N 273.807 4.510 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H]2CC[C@H](Cc3ccccc3)C2)C1 1178519118 LAEWKLPXXYHUIF-LMCOJAPRSA-N 283.459 4.732 30 10 CJEE C=CCCCCCN(C)C(=O)N[C@@H](C)C1CCCCCC1 1233900722 GAXKHINKFALDFM-INIZCTEOSA-N 294.483 4.733 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1cncs1 1258230682 AOZXHGBCUUXLPD-HNNXBMFYSA-N 282.497 4.804 30 10 CJEE C#CC[C@H]1CCN(C(=O)[C@@](C)(CCC)CCCCCC)C1 1280468270 QVWYELWTUANVIC-HKUYNNGSSA-N 291.479 4.635 30 10 CJEE C=CCCCCCCCNc1cc(C(C)(C)C)ncn1 1307135095 WDAWCRFRSWRNNA-UHFFFAOYSA-N 275.440 4.713 30 10 CJEE C=CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 1352104025 INUNNXINMDIAOD-ZAWLATJESA-N 299.458 4.677 30 10 CJEE C=CCC(CC=C)C(=O)N(C1CCC(CC)CC1)C1CC1 1353449406 CEDDWIIZVBNUJS-UHFFFAOYSA-N 289.463 4.715 30 10 CJEE C#C[C@@H]1CCCN(C(=O)C[C@@H](C)CCCCCCCC)C1 1452474396 HJVGIPCJAFMZCN-ZWKOTPCHSA-N 291.479 4.635 30 10 CJEE C=CC[C@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)c1ccccc1 1459507890 DRFJJNDYZRFTRQ-MSOLQXFVSA-N 299.458 4.631 30 10 CJEE C=CC[C@H]1CC[C@@H](NCc2ccccc2OCC(C)C)C1 1461095002 VXWCIYNOZULPPU-FUHWJXTLSA-N 287.447 4.556 30 10 CJEE C=CCN(C/C=C/c1cc(C)c(C)cc1C)C(C)C 1461890042 XPLMWHJVOOKQBD-CMDGGOBGSA-N 257.421 4.521 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1CCCc2cnn(C(C)C)c21 1462045668 OQYMMYHZANLWCZ-DOTOQJQBSA-N 289.467 4.566 30 10 CJEE C=C(C)COc1cccc(NCc2ccc3cc[nH]c3c2)c1 1474054141 XRERVSZVJJRWMS-UHFFFAOYSA-N 292.382 4.735 30 10 CJEE C#CCCCCCCN[C@H](CC(C)(C)C)C(F)(F)F 1474394343 JNSIURFQGIGVJA-CYBMUJFWSA-N 277.374 4.527 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C 1518907376 VKPGWJIGLIBREA-CXAGYDPISA-N 291.410 4.631 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1Oc1cccc(F)c1 1526454031 GTYGKGIAAJJPSS-UHFFFAOYSA-N 299.345 4.913 30 10 CJEE C=CCC1(NC(=O)C[C@H](CC)c2ccc(C)cc2)CCCC1 1532276956 YVLCOCZLWDTOCR-KRWDZBQOSA-N 299.458 4.884 30 10 CJEE C=CCC1(C(=O)O[C@H](C)c2cccnc2C)CCCCC1 1533405492 CNQIDJWCCVLOHF-OAHLLOKOSA-N 287.403 4.521 30 10 CJEE C=CC[C@@H]1N(C(=O)C[C@H](CC)C(C)C)CCCC1(C)C 1542577505 ATIKXQCUMBNJGB-HOTGVXAUSA-N 279.468 4.652 30 10 CJEE C=CCCCCCN(C)CCc1ccccc1Cl 1559553336 CIEGPOYFLGAAFU-UHFFFAOYSA-N 265.828 4.561 30 10 CJEE C=CC(C)(C)CCN[C@H]1CC[C@H](Cc2ccccc2)C1 1560944819 KFGZMZWWXXHVRU-MSOLQXFVSA-N 271.448 4.590 30 10 CJEE C=CCCC[C@@H](C(=O)N1CC(C)(C)C1(C)C)c1ccccc1 1587286398 BFCOQPNMWGKSTL-QGZVFWFLSA-N 299.458 4.774 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H]2CC(C)C)CCCCC1 1611202926 MOLOYNKJCLBEDQ-MRXNPFEDSA-N 277.452 4.550 30 10 CJEE Cc1cccc(C#Cc2c(Cl)cccc2Cl)c1 1614730696 HYQUSMMACUFPHJ-UHFFFAOYSA-N 261.151 4.702 30 10 CJEE C=CC[C@H]1N(Cc2c(F)ccc(C)c2F)CCCC1(C)C 1617604215 OVNJXHBVKIXMKL-MRXNPFEDSA-N 293.401 4.840 30 10 CJEE C=CC[C@H](C)NCc1c(Cl)cccc1SC(C)C 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2157121389 VERHBJWNMSAOAM-IAGOWNOFSA-N 291.460 4.764 30 10 CJEE CCCCCCCCC[C@H](O)[C@]1(C#N)CCS[C@@H](C)C1 2159710612 KCVRZSWGNLRYHW-YESZJQIVSA-N 297.508 4.913 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(F)cc21 2163700912 YLVLIKMGCSEFCL-ZTFGCOKTSA-N 273.395 4.538 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)([C@@H]2C[C@H]3[C@@H](C2)C3(F)F)C1 2163775587 YVCCIMIPTXPSMY-CLLJXQQHSA-N 284.390 4.699 30 10 CJEE C=C(C)C[C@@H](NCC)c1csc(-c2ccc(F)cc2)n1 2164104330 HVAAYSKPFBJHGQ-CQSZACIVSA-N 290.407 4.566 30 10 CJEE CN[C@H](CC#CC1CCCCC1)[C@H]1C(C)=CCC[C@H]1C 2164156232 BZVCRPLMTFRXLX-QRQLOZEOSA-N 273.464 4.541 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)[C@H]1C(C)=CCC[C@H]1C 2164265917 WXZABFYOCQCJDQ-KURKYZTESA-N 275.480 4.787 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@H]1CCOC2(CCSCC2)C1 2164475281 MJZBQOLUZGTRJH-HZPDHXFCSA-N 295.492 4.789 30 10 CJEE C=CCC[C@H](C)[C@H](NCCC)c1cc2ncccc2s1 2164955466 NDOKVGYZLFHWPB-GUYCJALGSA-N 288.460 4.939 30 10 CJEE C=C1C[C@H]2CC(NCC3[C@@H]4CCCCC[C@@H]34)C[C@@H](C1)C2 2167277657 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CCCCCCCCCC[C@H](O)c1c(C)ncnc1C 2187368747 RXPZUUAVATTZON-INIZCTEOSA-N 278.440 4.658 30 10 CJEE C#CCCCCC[C@H](NCCC)c1csc(C2CC2)n1 2188863962 SSGPTJNSGSTVPY-HNNXBMFYSA-N 290.476 4.645 30 10 CJEE C[C@H](CC(C)(C)C)C[C@]1(C=O)CCOC12CCCCC2 2190281971 DWPFCDGFBSYHJS-WBVHZDCISA-N 280.452 4.757 30 10 CJEE CCCCCCC[C@@H](O)[C@@H](C[C@H]1CC[C@H](C)CC1)NC 2193044308 XPPIADVDEBDKHP-BRSBDYLESA-N 283.500 4.512 30 10 CJEE CCCCC[C@H](CC)N=C1N[C@H](c2ccccc2)CS1 2193742614 AJKRZJZLRLSYKV-HOTGVXAUSA-N 290.476 4.779 30 10 CJEE C#CC[C@H](CC1(C=O)CCC(C(C)(C)C)CC1)C1CC1 2196717203 TVNMLGWSVQPXMX-LRYGQEGESA-N 274.448 4.848 30 10 CJEE C=C(c1ccccc1)[C@H](CC12CCC(CC1)C2)NCC 2197139117 FDNKUURKUURYNB-AVAKVYKDSA-N 269.432 4.648 30 10 CJEE C=C(c1ccccc1)[C@H](N)c1ccccc1C1CCC1 2197143059 XBSPHGKVEWJLHQ-IBGZPJMESA-N 263.384 4.667 30 10 CJEE O=C(CC#CC1CCCCC1)[C@@H]1C[C@@H]1C1CCCCC1 2200121458 CQKONWZAWFBFMJ-QZTJIDSGSA-N 272.432 4.746 30 10 CJEE CCCC#CC[C@@H](NCC)c1cccc(C(C)(C)C)c1 2203786976 IHLMYOOWTPBZEF-GOSISDBHSA-N 271.448 4.828 30 10 CJEE CCCCC#CC[C@H](NCCC)C1[C@H]2CCCCC[C@H]12 2203809407 GEDWQRVDTQYQNM-BZSNNMDCSA-N 275.480 4.765 30 10 CJEE CCCC#CC[C@@H]1C[C@H](CCC)CC[C@H]1CNC1CC1 2203819953 ROSXCYQMBLLTKD-KURKYZTESA-N 275.480 4.765 30 10 CJEE C#C[C@H](N[C@H](CC(C)C)c1ccccc1)C1CCCC1 2204044318 ONVQBOAQWGDIPU-RBUKOAKNSA-N 269.432 4.555 30 10 CJEE CCCCCCCCC[C@@H](N)c1ccc(OCC)nc1 2204687222 ZBSXHWZNHVOOGZ-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE C=CCCCCCCCCC[C@]1(O)CCCCC[C@H]1N 2207391457 LXEBNWVHYLIVTC-MSOLQXFVSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ccn(C(C)C)n1 2207397248 RNGNOJOGWOTWOO-INIZCTEOSA-N 277.456 4.771 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@]1(O)CC[C@@H](C)C1 2207402559 CSLGCQPRXYHZRX-SQNIBIBYSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@]1(CC)CCCCN1 2207424819 JFQBIRKICGPWKI-ROUUACIJSA-N 281.484 4.576 30 10 CJEE C=CCCCCCCCCO[C@@H](C)C[C@H]1CCCCN1 2207424854 JTIFFWONGKFDBM-ZWKOTPCHSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@]1(N)COC(CC)(CC)C1 2207435185 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2235218860 XDGOSDRQSFLMMZ-MSOLQXFVSA-N 281.484 4.793 30 10 CJEE C=CCCCCCCCOc1ccc(F)cc1[C@H](C)N 2235523458 GAMSPWJOXVDPQJ-AWEZNQCLSA-N 279.399 4.751 30 10 CJEE C=CCCCCCCC[C@H](O)[C@H](OC)C1CCCCC1 2235524755 SYOUJFGQOJMFPU-ZWKOTPCHSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@](C)(CC)N(CC)CC 2235525438 ZUIWAUKAFHAPPE-MSOLQXFVSA-N 283.500 4.775 30 10 CJEE C=C1CCC(C[C@@H](N)C2(C)CC3(CC(F)(F)C3)C2)CC1 2238803487 UPZGEDIDIPMXKK-CQSZACIVSA-N 283.406 4.666 30 10 CJEE C=CCC(C)(C)COCc1ccsc1CN[C@@H](C)CC 2238950657 LUQVVBNBZWPINN-AWEZNQCLSA-N 295.492 4.755 30 10 CJEE CCCCCCCCCOC1(CNC2CC2)CCCC1 2239458279 ZBXYRSSBPKNUPD-UHFFFAOYSA-N 281.484 4.818 30 10 CJEE CCCCCCCCCCO[C@H]1CC[C@H]1CNC1CC1 2239497223 AAQGTXXAGREYHA-WMZOPIPTSA-N 281.484 4.674 30 10 CJEE C=C[C@@H](CCCCC)OC1(CNCCC)CCCCC1 2239509694 GWUNKFXOVMTRKG-KRWDZBQOSA-N 281.484 4.840 30 10 CJEE CCCCCCCCCCCOC[C@@H]1CCNC1(C)C 2239546738 AIUUMBVSLRRHJI-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCOc1ncc(C[C@]2(C#N)CCCC(C)(C)CC2)s1 2239979192 ONZQDDHPDIQYJX-INIZCTEOSA-N 292.448 4.585 30 10 CJEE CCCCCSc1ccc(CN[C@@H](C)CC)cc1C#N 2240010433 HVRMDSLFAAHELR-AWEZNQCLSA-N 290.476 4.729 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2c(OC)cccc21 2240161256 YXYSOGYZJUPAKI-GOSISDBHSA-N 275.436 4.546 30 10 CJEE CCCCCCCC[C@@](C)(O)C(=O)CC1CC2(CC2)C1 2240640651 SCICJUBEJSAMEX-QGZVFWFLSA-N 280.452 4.637 30 10 CJEE CCCCCCCC[C@@H](C)NCCCOCC1CCC1 2240644036 FCDDDLKLSXAXJQ-QGZVFWFLSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@H]1CCC[C@@H](C)C1 2240666743 PLSBKXHZHDAKLD-RYRKJORJSA-N 282.468 4.883 30 10 CJEE Cc1cc(Br)ccc1SC[C@H](C#N)C(C)C 2243757953 YKGQYWDUVVRMPN-NSHDSACASA-N 298.249 4.645 30 10 CJEE Cc1cc(Cl)c(Cl)cc1NC[C@H](C#N)C(C)C 2247671690 SYRVSYJVZLNANS-JTQLQIEISA-N 271.191 4.510 30 10 CJEE C=C(C)CCCC[C@]1(CNC(C)C)CC[C@@H](C)C1 2259172590 RKFNYQKKWKVCPB-SJORKVTESA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@](CC)(CCCC)OCCN 2262742822 IPUZZLTWCPWTJF-MRXNPFEDSA-N 257.462 4.661 30 10 CJEE C#CCCCC[C@H](C[C@H]1CCCC12CC2)NCCC 2266598279 VMQCCUSIFBBXPI-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1csc(C2CC2)c1 2267850100 VKHSABDYBGCACA-HNNXBMFYSA-N 291.536 4.547 30 10 CJEE C=CC[C@H]1CCCCN1Cc1ccc(CCC)cc1 2268240276 BLTJRXXJYWHXRM-SFHVURJKSA-N 257.421 4.570 30 10 CJEE CCc1ccc(C#CCC=CC#CC(C)(C)C)cc1 2268741883 KLZIBEKIJGVFAH-UHFFFAOYSA-N 250.385 4.596 30 10 CJEE C=CCCCCCCCS[C@@H](CN)c1ccccc1 2271512674 AIAHDUBLLXISHT-KRWDZBQOSA-N 277.477 4.946 30 10 CJEE C=CCCCCCCCSC[C@H](C(=N)N)C(C)(C)C 2271513383 CJKUIAGBUVUHRN-CQSZACIVSA-N 284.513 4.844 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C(C)(C)C1(F)F 2271780494 GJDRQQBIQYGDCY-KBPBESRZSA-N 273.411 4.782 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccc(OC)s1 2271781162 MHMCASLNAOXLOT-AWEZNQCLSA-N 281.465 4.934 30 10 CJEE CC(C)CCC[C@H](C)CC[C@@]1(C#N)COC(C)(C)C1 2272284430 OWZFLSOQMWMLRA-DOTOQJQBSA-N 265.441 4.938 30 10 CJEE N#Cc1ccc(NC[C@]23CCCC[C@@H]2CC3)cc1Cl 2273365342 YFCLLUSQARPKIW-CZUORRHYSA-N 274.795 4.594 30 10 CJEE C=C([C@@H](NCC)c1cnc(C(C)(F)F)s1)C(C)(C)C 2273615545 WJAGZRFBJISPIF-LLVKDONJSA-N 288.407 4.508 30 10 CJEE CC(C)(C)[C@@H]1CCC(=O)[C@H](CC#CC2CCCC2)C1 2274172228 WGOJDAIVMIPVAT-HZPDHXFCSA-N 260.421 4.602 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@H](CCC)COC 2278235148 BMWGXQHUYXGMSQ-IAGOWNOFSA-N 271.489 4.920 30 10 CJEE C=CC(C)(C)CN[C@H](c1ccccc1)C1CCCC1 2278282409 SSRBBEGURRCGKR-QGZVFWFLSA-N 257.421 4.720 30 10 CJEE CCCC[C@@H](CC)CSC[C@](C#N)(CC)NCCC 2278321606 OWKBVWDGGPEWDX-HZPDHXFCSA-N 284.513 4.608 30 10 CJEE C=CCCCCCCCCN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 2279590526 DOSZRQGJPJGHFE-QGFMHUBQSA-N 275.480 4.881 30 10 CJEE C=CC1(C[C@@H](NC)[C@H]2CC[C@H](C(F)(F)F)CC2)CCC1 2279600418 CGLNFGPKVFVHDZ-MGPQQGTHSA-N 289.385 4.690 30 10 CJEE CCCCCCCN(C)CCCCCCCCCCN 2284863505 FXCXNSBUEVSHTI-UHFFFAOYSA-N 284.532 4.968 30 10 CJEE SCC1(COc2cccc(-c3ccccc3)c2)CCC1 2286816125 GCNPYDZWHCYJHP-UHFFFAOYSA-N 284.424 4.833 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H](C)CC(F)(F)F 2289685000 QYNZKJHVNKOMGC-HIFRSBDPSA-N 289.385 4.527 30 10 CJEE CCN[C@H](C#CC1CCCCC1)c1csc(C(C)C)n1 2289717257 ZHZSDFZVEHJULZ-OAHLLOKOSA-N 290.476 4.501 30 10 CJEE CCCNC[C@]1(CC#CC2CCCC2)CCCC[C@@H]1C 2289925507 VUCBIEDRDWEMEV-PKOBYXMFSA-N 275.480 4.766 30 10 CJEE CC1(C)CCC(C)(C)[C@](C#N)(NC2CCCCCC2)C1 2290239285 FVMSBQCHLVGHAD-SFHVURJKSA-N 276.468 4.797 30 10 CJEE C=CCC[C@H](C)[C@@](CC)(C[C@@H](C)CC)OCCC(=O)O 2290999066 VSWMGPKSFJUPMV-YQQAZPJKSA-N 284.440 4.665 30 10 CJEE C=CCCCCC[C@](CCC)(OCCN)[C@H]1CC1(C)C 2292908471 YSMVAFSNRUSFEP-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@](C)(OCCN)C1[C@@H]2CCC[C@@H]12 2293000335 OFUOASGYNIPPNQ-NUJGCVRESA-N 281.484 4.517 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@@H]1[C@@H](C)[C@H]1CC 2293019623 PYDCHYYPRBNOEU-MLHJIOFPSA-N 283.500 4.763 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccc(OC)s1 2293686890 AUVVZGJCKVDJQN-CQSZACIVSA-N 299.480 4.524 30 10 CJEE CCCCCCC[C@@](C)(Cc1ccsc1)OCCCN 2293699579 JMWQOUCBPKIABU-KRWDZBQOSA-N 297.508 4.775 30 10 CJEE C=C([C@H](CCC1CCCCC1)OCCCN)[Si](C)(C)C 2294332481 WHEKRNLQFZRPPQ-KRWDZBQOSA-N 297.559 4.515 30 10 CJEE C=CC[C@H](C)[C@H](OCCCN)c1csc2ccccc12 2294537576 DMVSKGNYPBLMSJ-GUYCJALGSA-N 289.444 4.520 30 10 CJEE C=C[C@H](C)C[C@H](NCC)c1ccc2cc(Cl)ccc2n1 2294974561 OXZFLYKENIAQHL-SJCJKPOMSA-N 288.822 4.751 30 10 CJEE CCCCCCCCC[C@@H](C)NCCCN(C)C(C)C 2295679128 MYBOFWIFRMECOZ-GOSISDBHSA-N 284.532 4.836 30 10 CJEE CCCCCCCCC[C@](C)(C[C@@H]1C[C@H]1F)OCCN 2295688778 JGUNMNPMHQLEEG-GVDBMIGSSA-N 287.463 4.609 30 10 CJEE C=CCC(CC=C)[C@H](N)c1ccc(Br)cc1C 2301060824 RDUOFSRVUHCNJX-HNNXBMFYSA-N 294.236 4.526 30 10 CJEE C=C(CC)CC(=O)CCc1cc(Cl)cc(Cl)c1 2302387059 DTABJPNGNKGEBZ-UHFFFAOYSA-N 271.187 4.851 30 10 CJEE C=C1C[C@H]1[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2302853049 UDFWQYXTQUPQSU-YGRLFVJLSA-N 270.203 4.529 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cscc1C(F)F 2304128693 OUILXNCOWDEKQT-AAEUAGOBSA-N 260.349 4.712 30 10 CJEE CS[C@@H]1CC[C@H]1OCCCCCCCCCS 2307306412 DGXNLCFJEQUJCQ-ZIAGYGMSSA-N 276.511 4.558 30 10 CJEE CCCCCCC[C@@](C)(O)C[C@H]1C[C@@H]2CC[C@H]1C2 2312874995 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C=CCCC(C)(C)CN[C@H]1C[C@@H]2CCCC[C@]2(C)C1 2328926778 HJVJJUGHPPSAEL-XYJFISCASA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCN[C@H]1C[C@@H]2C[C@H]1C[C@H]2F 2329118943 IIXVHAGJUVTPIM-NXOAAHMSSA-N 269.448 4.853 30 10 CJEE C=C[C@H](C)C[C@@H](C[C@@H]1C[C@H]1C1CCCCCC1)NC 2332772665 AHZWYZLRAYHJMN-RANZSIQMSA-N 263.469 4.783 30 10 CJEE C=C[C@@H](C)C[C@@H](C[C@@H]1C[C@H]1C1CCCC1)NCCC 2332782590 ZHOUQSHFZQPFGD-BGTYHANMSA-N 263.469 4.783 30 10 CJEE CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](C)N 2333297248 ZREXGWPJFRJAJU-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCN1[C@H]2CC[C@H](C2)[C@@H]1C(F)(F)F 2333326858 DQIFKFLJCYEWMC-HZSPNIEDSA-N 275.358 4.538 30 10 CJEE CCCCCCCCN[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 2334214812 XIDVBUPYYMSAOH-ILOCAZANSA-N 263.469 4.761 30 10 CJEE C=CC[C@H](C)S[C@H](C)[C@H](NCC)c1ccccc1F 2335095775 FXFAYGKECOTUEC-ZENOOKHLSA-N 281.440 4.563 30 10 CJEE CCCC(CS)(CCC)CN(C)CC(C)(C)C(F)F 2336744195 ULAXNOTUXNUIPD-UHFFFAOYSA-N 295.483 4.726 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC[C@H]1CC[C@H](CCC)CC1 2337154752 GLHMMZDLYAHQSZ-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1C[C@H]2CCC[C@H]1CC2 2338687956 DTPVCECKVHVYIF-LAQRGFTBSA-N 261.453 4.559 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC(C)C)CCC12CCC2 2338745149 UHHSWGQQWSBXGR-SFHVURJKSA-N 261.453 4.703 30 10 CJEE CCCC[C@@](C)(C#N)Cc1ccc(F)cc1C1CC1 2339218607 CQVNLVJGYMRBSG-QGZVFWFLSA-N 259.368 4.966 30 10 CJEE C=C(C)C[C@H](CC1C2(CCC2)C12CCC2)NCCC 2341924364 UGFLAKKXWKJLNU-OAHLLOKOSA-N 261.453 4.681 30 10 CJEE C=CCCCCCCCCCn1nc(C)c(F)c1C 2342871805 UIEWMAGGZUYARJ-UHFFFAOYSA-N 266.404 4.946 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CCC(C)=C(C)C1 2343471164 QUJOWPHMOMPICZ-RCCFBDPRSA-N 261.453 4.847 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(C2(C)CC2)c1 2344338603 ATPXSQFEGGOFOX-PBHICJAKSA-N 257.421 4.601 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1CCC[C@H]1C(F)F)NC 2344347257 AEPXHFWDICZULX-NHIYQJMISA-N 273.411 4.638 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)c1sccc1OC 2344373894 DKSXDIVYZXIHTP-CVEARBPZSA-N 281.465 4.790 30 10 CJEE C=CCC(C)(C)[C@H](O)c1ccc2cc(Cl)ccc2n1 2344464072 ICXNQLDSUQMVSQ-OAHLLOKOSA-N 275.779 4.524 30 10 CJEE C=CCCCCCC[C@H](O)c1cc(C(C)C)ccn1 2352990168 FSAAKHSECSCUJS-KRWDZBQOSA-N 261.409 4.765 30 10 CJEE C=CCCCCNCC1CCC(CC(F)(F)F)CC1 2353128291 SHFHSEUBUSNWNY-UHFFFAOYSA-N 277.374 4.691 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1C[C@H]1C1CC1)NCCC 2358138221 KKPIDIKQDCNXAE-QYZOEREBSA-N 275.480 4.765 30 10 CJEE CCCCCCCCC[C@@H](C)NCC[C@@H]1CCC[C@H]1O 2360179525 HCEHFSDTUWYLDB-FGTMMUONSA-N 283.500 4.656 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676266 GBTIYLLTJYJUIN-UHIISALHSA-N 281.371 4.775 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(OC)cc2)C1 37155057 DSLXSLDVSRXMLH-WOSRLPQWSA-N 275.417 4.506 30 10 CJEE CC(C)c1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 54823634 RSZZIOGALYQNKU-WBVHZDCISA-N 256.393 4.694 30 10 CJEE CC(C)c1ccc(C[C@@](C)(C#N)c2ccccc2)cc1 57744017 ZTRSCGLWTYVVMR-IBGZPJMESA-N 263.384 4.834 30 10 CJEE CCCCCCCCN[C@@H](C)c1cccc(NC(C)=O)c1 59076405 CLGHMLMCZDSMTR-HNNXBMFYSA-N 290.451 4.656 30 10 CJEE CCCCCCCCOc1cccc(F)c1[C@H](C)N 59087982 VPBYLIWXLIIXKE-ZDUSSCGKSA-N 267.388 4.585 30 10 CJEE CCCCCCCCOc1ccc([C@@H](C)NC)cc1 59178945 HDFHAJBXNBCAPC-OAHLLOKOSA-N 263.425 4.706 30 10 CJEE CCCCCCC[C@@H](C)Nc1cccc(OCC#N)c1 59456727 FVAPUQUGVMNGNF-OAHLLOKOSA-N 274.408 4.750 30 10 CJEE CC[C@H]1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 71132239 RZIKRGLYJAISKB-AAEUAGOBSA-N 263.768 4.559 30 10 CJEE CCCCCCCCCCCc1nnc([C@H](C)N)s1 91252574 CQSGYAGENHYVNS-ZDUSSCGKSA-N 283.485 4.631 30 10 CJEE CC[C@H](CS)COc1ccc(C)cc1C(C)(C)C 94583447 ITAGNVAYMBGHRZ-ZDUSSCGKSA-N 266.450 4.627 30 10 CJEE C=C(CC)C[C@@H](Cc1c(F)cccc1Cl)NCCC 97208681 HAIJUOHNEWGTPA-ZDUSSCGKSA-N 283.818 4.746 30 10 CJEE C#CC[C@H](CC)c1cc(C)cc(C(C)(C)C)c1OC 107671780 ZPDNMAGYOGBANT-AWEZNQCLSA-N 258.405 4.818 30 10 CJEE CCC#C[C@H](C)[C@H](C)c1cc(OC)c(Cl)cc1OC 107673972 XNCVFKHEIVXNBO-RYUDHWBXSA-N 280.795 4.510 30 10 CJEE CCCCCCCCCC[C@@H](N)Cc1csc(C)n1 109743050 RFTBDNFUXZSZKT-OAHLLOKOSA-N 282.497 4.852 30 10 CJEE CCCCCCCCCN1CCC[C@H](CNC(C)(C)C)C1 111762138 FQCFHGHBUGOTKS-GOSISDBHSA-N 296.543 4.837 30 10 CJEE CCCCCCCCCCNC[C@H](C)CSC 111975357 QJXCMBDXKOSNCN-HNNXBMFYSA-N 259.503 4.716 30 10 CJEE CCCCCCCCCCCC(=O)N(CCC#N)C1CC1 115857498 VIEAYPXOEWUBRT-UHFFFAOYSA-N 292.467 4.812 30 10 CJEE CCCCCCCCCCOc1csc(C(=O)O)c1 117668532 RWRUMAHMVBUXKA-UHFFFAOYSA-N 284.421 4.966 30 10 CJEE CC#CCC[C@H](NCCC)c1ccccc1C(F)(F)F 124665484 XVXHNMNYJVXSMI-HNNXBMFYSA-N 283.337 4.550 30 10 CJEE CCCCCCCCCCNC1=NC[C@@H](C2CC2)S1 124891549 YRLILMQNKIYTPV-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE CSc1cccc(N[C@H]2CCCc3ccccc32)c1C#N 130544299 XWPIQTOHFLTURR-INIZCTEOSA-N 294.423 4.770 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccc(COC)o1 133136339 GGSGNTWEWOCFPU-INIZCTEOSA-N 281.440 4.827 30 10 CJEE N#Cc1ccc(Nc2cc(Cl)ccc2Cl)cc1F 135231700 PEAJQHPNZRYBBK-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCCCCCCCCCC(=O)CC[C@@H](C)OC 135635768 HINVTMDLLZGURK-OAHLLOKOSA-N 256.430 4.901 30 10 CJEE C=CCC[C@@H]1CC(C)(C)CC[C@H]1CNCC(C)C 156329535 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281.484 4.696 30 10 CJEE CCCCN([C@H](C)CC)[C@H](CC#N)c1ccccc1 249783362 GQEDAJGWWCQRTF-NVXWUHKLSA-N 258.409 4.542 30 10 CJEE CC(C)(C)C#CCC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 305896583 LLLKZFBUNRMYIS-ARFHVFGLSA-N 260.421 4.602 30 10 CJEE C=CCSc1ccccc1N[C@@H]1CCC[C@H]2C[C@@H]21 306092075 MFAVAOMNXZFWMU-MELADBBJSA-N 259.418 4.565 30 10 CJEE CCCCCCCCCC[C@H](N)[C@H]1CCOC[C@@H]1C 311561491 OKHAZLADAKHADJ-ULQDDVLXSA-N 269.473 4.517 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C(C)(C)C(C)(C)C 311972569 BLKCQJULXJIBRW-OAHLLOKOSA-N 265.485 4.867 30 10 CJEE CO[C@H]1CCCC[C@@H]1C1(C#N)CCC(C(C)(C)C)CC1 312888967 AOSOOYBXPMCGBX-LPMVOBIJSA-N 277.452 4.938 30 10 CJEE C[C@@H]1CCC[C@](C=O)(Cc2ccc(C(C)(C)C)cc2)C1 317173167 IMGMHTMLLXSYKB-DNVCBOLYSA-N 272.432 4.922 30 10 CJEE CCCCCCCC[C@@H](NCCC)c1cc(OC)ns1 320524233 RHLCTPVKNUAYPG-CQSZACIVSA-N 298.496 4.943 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)c1c(C)cc(C)cc1C 389120488 NECOEMMCRLFOIO-INIZCTEOSA-N 259.437 4.865 30 10 CJEE Cc1cc([C@H](C)/N=C2/N[C@H](C(C)(C)C)CS2)c(C)s1 394007513 LAAQUJUXZHBXQS-GWCFXTLKSA-N 296.505 4.533 30 10 CJEE Cc1cccc(CSC[C@H](C#N)C2CCCCC2)c1 397294710 JLVTUGYHBNLVLX-KRWDZBQOSA-N 273.445 4.948 30 10 CJEE N#C[C@@H](CNc1ccc(Cl)c(Cl)c1)C1CCCC1 397375380 SEAXLACCSFIJHG-NSHDSACASA-N 283.202 4.735 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCc2ccccc21 403375538 KDTBONSOKWVDOJ-VYCZESIESA-N 265.400 4.611 30 10 CJEE C[C@](C#N)(C[C@H]1CCCCC1(F)F)c1ccccc1 405546065 LTSHXVKIBFKEAE-HUUCEWRRSA-N 263.331 4.683 30 10 CJEE C=CCCc1ccccc1NC(=O)C1(CCC)CCC1 410343227 DYGVWFQWVPYBKG-UHFFFAOYSA-N 271.404 4.714 30 10 CJEE C=CCC[C@@H](C(=O)N[C@@H](C)c1cccs1)c1ccccc1 487601210 BSMYDFLMJBXHAH-GOEBONIOSA-N 299.439 4.675 30 10 CJEE CCCCCCC[C@@H](C)c1[nH]c2ccccc2c(=O)c1O 642773416 YMCVPONPIIZCGR-CYBMUJFWSA-N 287.403 4.698 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CN 686691350 KDDNEXYRBSYARD-ZACQAIPSSA-N 263.469 4.607 30 10 CJEE C#CCCCCC[C@H](NCCC)c1ccc(C)cc1F 686694134 VHLWWISTQGGCOD-SFHVURJKSA-N 275.411 4.759 30 10 CJEE 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4.655 30 10 CJEE C=CCC(CC=C)[C@@H](NC)c1ccc2sccc2c1 2338746575 HUHTZWUYEDXMCH-QGZVFWFLSA-N 271.429 4.930 30 10 CJEE Cc1c([C@H](O)C2(C#N)CCCCC2)ccc(Cl)c1Cl 2340453061 MQXCMNHRSWZFDA-AWEZNQCLSA-N 298.213 4.809 30 10 CJEE C=C1C[C@@H]1[C@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2341898066 QROMQEUFEHYKSJ-JCECYMMASA-N 261.453 4.537 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NCCC 2344341579 CNSYWGSHRJYFRT-ILOCAZANSA-N 263.469 4.783 30 10 CJEE CC(C)O[C@@H]1CCC[C@@H]1C1(C#N)CCC(C)(C)CC1 2344801766 LVIDGDIHNMVPTM-LSDHHAIUSA-N 263.425 4.690 30 10 CJEE CC(C)CCN(CC(C)C)C[C@@](C)(CS)C(C)(C)C 2352069808 VVUMMUBYNVRZDX-KRWDZBQOSA-N 287.557 4.973 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc(C(C)C)ccn1 2352777733 FQXSZWBJUUZVPQ-MRXNPFEDSA-N 260.425 4.602 30 10 CJEE CSc1cc(NC[C@H]2CCCC[C@H]2C)ccc1C#N 2353833949 JLGGCDCUVFTFTN-TZMCWYRMSA-N 274.433 4.518 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1C[C@@H]2CC[C@H]1O2 2357440470 IYPFDWLESXGFTI-OKZBNKHCSA-N 281.484 4.626 30 10 CJEE Cc1ccc(C)c([C@H](C)Nc2cc(C#N)ccc2C)c1 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CC#CC[C@H](C)c1ccc(OCc2ccccc2)cc1 107579082 JAQAEDBYCDOXQH-INIZCTEOSA-N 264.368 4.783 30 10 CJEE CCCCCCCCCCCCn1nc(C)c(CO)c1C 109692225 UMYMIXSJAMTWNA-UHFFFAOYSA-N 294.483 4.913 30 10 CJEE CCC1(CC)CCN(c2cc(Cl)ccc2C#N)CC1 110258752 DGKZFQHBBUDWMM-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE CCCCCCCCOc1ccc(Cl)cc1C(N)=S 110280409 FLFHFGCAZYNQLO-UHFFFAOYSA-N 299.867 4.714 30 10 CJEE CCCCCCCCCN1CCC(CNC(C)(C)C)CC1 113079092 KAKRPXSQHLTVRY-UHFFFAOYSA-N 296.543 4.837 30 10 CJEE CCCCCCCC[C@H](O)c1cc(F)ccc1F 113315986 DMORUPLAJNHNJV-HNNXBMFYSA-N 256.336 4.749 30 10 CJEE CCCCCCCCCCC[C@@H](N)Cc1ccccn1 115858656 RXKZEZFFVRWPJS-QGZVFWFLSA-N 276.468 4.872 30 10 CJEE CCCCCCCCCn1cccc1[C@H](C)NC 118237878 SYPAAJUHKNXROF-HNNXBMFYSA-N 250.430 4.519 30 10 CJEE CCCCCCCn1ccc([C@H](CCC)NCC)c1 118245038 LRXVSSQYIFLZEI-KRWDZBQOSA-N 264.457 4.909 30 10 CJEE N#Cc1cc(NCCC2CCCCC2)ccc1C(F)(F)F 123285290 KLLHVDQIZDQAEW-UHFFFAOYSA-N 296.336 4.959 30 10 CJEE CCCCCCCC[C@H](O)Cc1cc(F)ccc1C 126960596 LUWMOALGDRUNIO-KRWDZBQOSA-N 266.400 4.788 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@@H](CCC)OC 126987227 SXMVSSYZAIKYCZ-DLBZAZTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCN[C@@H](CC)c1ccc(F)cn1 131384425 FONXNYVHVIDIEK-HNNXBMFYSA-N 266.404 4.622 30 10 CJEE C=CCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 133179616 HTOGHWBPIZKTNF-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE C=C(CNc1cccc(Cl)c1C)c1ccccc1 134355765 UATFTDDAHPPUEL-UHFFFAOYSA-N 257.764 4.774 30 10 CJEE C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C1CCCC1 135272630 LOIBVTVLNFSCMT-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE CCSc1cccc(N[C@@H](CC)CC2CC2)c1C#N 136668963 OGDQPQFUWOECDG-ZDUSSCGKSA-N 274.433 4.661 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](OC)C1CCCCC1 158507992 VHYHVAXPLNURDH-IRXDYDNUSA-N 269.473 4.660 30 10 CJEE CC1(C)CC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 164874905 MDOUSJJEJMTXAA-LBPRGKRZSA-N 282.309 4.568 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 184888853 ICZAWYRXKSTJNB-OAHLLOKOSA-N 279.383 4.894 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 185020493 XEGKXPDPSPERSW-KBPBESRZSA-N 285.387 4.555 30 10 CJEE CCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1 205324031 HAHRVOIVSQELDL-XMHGGMMESA-N 283.371 4.625 30 10 CJEE CC(C)[C@@H]1CCCC[C@H]1Nc1cc(C#N)ccc1Cl 214648646 WZDHKHHKHNANTM-DZGCQCFKSA-N 276.811 4.838 30 10 CJEE CCCCCCCC[C@H](O)[C@@]1(N(C)C)CCC[C@@H](C)C1 217472298 FIRUVAXVMNJZEA-FGTMMUONSA-N 283.500 4.608 30 10 CJEE C=CCC[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 228818629 REEKWEUKPHGLJZ-IUODEOHRSA-N 251.801 4.735 30 10 CJEE CCCCCCC[C@H]1C[C@H](NCC)c2ccccc2O1 229247687 UBZOQPBRLMEYQP-RDJZCZTQSA-N 275.436 4.849 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cc(F)c(Cl)cc1F 229741151 ANJFARZGEVPFRL-CQSZACIVSA-N 273.754 4.625 30 10 CJEE C=C(CC)C[C@H](NCCC)c1c(F)cccc1Cl 229759227 CUHPQMVOXUAODN-AWEZNQCLSA-N 269.791 4.876 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)C1 231004013 LREKNYFGADGQPE-CZUORRHYSA-N 276.811 4.860 30 10 CJEE C=C(CS)COc1cc(C(C)C)c(Cl)cc1C 231634098 GLBHYOPBPUOTGI-UHFFFAOYSA-N 270.825 4.637 30 10 CJEE CC(C)(C#N)CCCCNC1CC(C)(C)CC(C)(C)C1 232829222 IGFUORJAWKTNJR-UHFFFAOYSA-N 278.484 4.901 30 10 CJEE N#CC1(c2ccc(C(F)(F)F)cc2F)CCCCC1 260714466 XLFUIOVJSYZMHT-UHFFFAOYSA-N 271.257 4.570 30 10 CJEE CSc1ccc([C@@H](C)Nc2ccc(C#N)c(F)c2)cc1 307963367 YZMGFQFMZWUXMR-LLVKDONJSA-N 286.375 4.592 30 10 CJEE CCC[C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1C#N 308090205 PMIAURUVIJPHNC-LBPRGKRZSA-N 292.810 4.613 30 10 CJEE C=CCCCCCCn1ccc2c1CC(C)(C)C[C@H]2O 312401749 HOIRNZATYXQLEK-QGZVFWFLSA-N 275.436 4.630 30 10 CJEE C=CCC(C)(C)CN[C@H]1CCCC[C@H]1c1ccccc1 312506481 ZWUAGFFRWKTBCL-ROUUACIJSA-N 271.448 4.905 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(F)cc2Cl)C1 316831181 LPANKMJBIZNPTH-LRDDRELGSA-N 282.786 4.807 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCCC(F)(F)C1 316958283 IQNDMMXZOMHQSR-RDBSUJKOSA-N 258.352 4.597 30 10 CJEE CC[C@H]1CC[C@H](C(=O)[C@@H](C#N)c2cccc(Cl)c2)CC1 393289039 BPHVXDFOLCFHSL-XEZPLFJOSA-N 289.806 4.733 30 10 CJEE CCCCCCCCC[C@@H](NN)[C@@H](C)CC(F)(F)F 402599541 QJGKCVIQJOQORL-QWHCGFSZSA-N 282.394 4.548 30 10 CJEE C=CCC(C)(C)CO[C@H]1CC(C)(C)CC[C@@H]1NCCC 403866742 RMUTUFNVINVVOC-HOTGVXAUSA-N 281.484 4.552 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@@H](NC)CO[C@@H]1C 405879613 KOTOYDBPWHEXQJ-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 512666980 NDVFXOQILRYHGJ-AUUYWEPGSA-N 296.389 4.889 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ccc(F)nc1 686126105 IZOMCATWHIGCJS-OAHLLOKOSA-N 267.388 4.785 30 10 CJEE C#CCCCCC[C@@H](O)C(CC)(CC)c1ccccc1 686676412 UVEHPRFQTQLXOE-GOSISDBHSA-N 272.432 4.689 30 10 CJEE C#CCCCCC[C@]1(CNCCC)CC[C@@H](CC)C1 686695193 VFLIAQGDYURBNP-MSOLQXFVSA-N 263.469 4.766 30 10 CJEE CC1(C)C[C@]1(C=O)CC1(c2ccccc2)CCCC1 686747269 UXKBCAHKBZTROF-GOSISDBHSA-N 256.389 4.504 30 10 CJEE CCCCCCCC[C@H](O)CC[C@@H](CCC)CCN 696284349 YSJNXJCQNMKNCY-SJORKVTESA-N 271.489 4.643 30 10 CJEE CCCCCCCCC[C@@H](O)c1ccc(N)c(C)c1 696527902 JNSCLMZQSNHCBR-QGZVFWFLSA-N 263.425 4.751 30 10 CJEE C=C1C[C@H]2CC(NCc3ccc(Cl)cc3)C[C@@H](C1)C2 697305164 UGXNSOATDCSUPM-FKEKPDDDSA-N 275.823 4.565 30 10 CJEE C[C@@H](CCS)CCN(C)[C@H]1CCCC(C)(C)CC1 697831942 YVUWZNWLAIQHDO-CABCVRRESA-N 271.514 4.623 30 10 CJEE C[C@@H](CC(C)(C)C)C[C@@]1(C#N)CCc2ccccc21 709239649 XIKQCGHWZPZIQO-KBXCAEBGSA-N 255.405 4.857 30 10 CJEE CCSc1cccc(NCc2ccc(C#N)cc2C)c1 709671947 QMKGRCFNDMLMQI-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE C=C(Cl)C[C@]1(CNC(C)(C)C)CC[C@H](CC)C1 710681840 OPFBEZWLAYAFTG-DZGCQCFKSA-N 257.849 4.714 30 10 CJEE CC1(C)CC(C/N=C2/NC3(CCCCCCC3)CS2)C1 713217284 XDCWNIMKWVFBAH-UHFFFAOYSA-N 294.508 4.598 30 10 CJEE C=CC[C@H](C)[C@H](O)c1ccc(SC(F)(F)F)cc1 715028983 MTTRJNMQUKSYEP-CABZTGNLSA-N 276.323 4.544 30 10 CJEE C=CC[C@@H](C)Nc1ccccc1Oc1ccccc1 715040344 RJTLYQITNFDNRK-CQSZACIVSA-N 253.345 4.855 30 10 CJEE CCCCCCC[C@@H](N)c1oc(Br)cc1C 716249416 ZAPMRZWRSSRUBP-LLVKDONJSA-N 288.229 4.711 30 10 CJEE C=CCCC[C@H](C)NCCc1cc(Cl)cc(Cl)c1 722115476 RODBAQSPBQSUAS-LBPRGKRZSA-N 286.246 4.870 30 10 CJEE Cc1cc(C#N)ccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723627848 YRVBMAMGGOMOOT-BRWVUGGUSA-N 268.404 4.638 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/N[C@@H](C2CCCC2)CCS1 725089327 KVWWTOGRHCZURI-GOEBONIOSA-N 296.524 4.843 30 10 CJEE CC/C(=N\OCc1cccc(F)c1)c1ccc(CC)cc1 821217573 FGRLPDNUNOMOFJ-CZIZESTLSA-N 285.362 4.719 30 10 CJEE C=CC(C)(C)CC(=O)N1CCC[C@@]1(CC)Cc1ccccc1 1130988470 IBXSTGUBNZKBAR-FQEVSTJZSA-N 299.458 4.603 30 10 CJEE C=CCCC[C@@H](NC(=O)C1CCCCC1)c1ccccc1 1133168179 OCHBKDGAOYLBCE-GOSISDBHSA-N 285.431 4.781 30 10 CJEE CCCCCCCN(C)Cc1csc(C(F)(F)F)n1 1141878836 PUZBLJNQZHULQF-UHFFFAOYSA-N 294.386 4.564 30 10 CJEE N#Cc1ccc(CN[C@@H]2CCCC3(CCCCC3)C2)s1 1173341751 QPLMGYXQONCGSP-CQSZACIVSA-N 288.460 4.602 30 10 CJEE C=CCCCN1CCC[C@H]1c1cccc(Br)c1 1190405884 CLLGSIMOAHSFDW-HNNXBMFYSA-N 294.236 4.552 30 10 CJEE C#CCCCCCCN1CC[C@@]1(C)C1CCCCC1 1197237921 AOJLWMACZPDOKH-SFHVURJKSA-N 261.453 4.615 30 10 CJEE C=CCC1(NC(=O)Nc2cccc(F)c2C)CCCCC1 1201130064 QLJCKTYJBFFPNH-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=C(C)CCN[C@H]1CCCC[C@H](c2ccccc2)C1 1202504922 LKTWGGXUEBNSHT-ROUUACIJSA-N 257.421 4.659 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1N(C)C 1207862131 SFYKSDPAARWSEP-CABCVRRESA-N 292.442 4.677 30 10 CJEE C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)C(C)(C)C 1307761728 AJGPXRDABDKBEP-INIZCTEOSA-N 291.483 4.524 30 10 CJEE C=CCC[C@@H](C(=O)Oc1ccc(C)cc1C)c1ccccc1 1351978629 NHRLUXFUOFSODV-GOSISDBHSA-N 294.394 4.959 30 10 CJEE C=C(C)CCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 1361117606 IHUUTZXIFAVBQD-GOSISDBHSA-N 285.431 4.713 30 10 CJEE C=CCC[C@H](CCC)Nc1cn(-c2ccccc2)nc1C 1462081146 PBWYCJPSYSNLDR-INIZCTEOSA-N 283.419 4.728 30 10 CJEE C=CCCCCNC(=O)c1cccc(Nc2ccccc2)c1 1467374898 CEABJVWADMEMMI-UHFFFAOYSA-N 294.398 4.516 30 10 CJEE C=C(C)[C@H](NC(=O)[C@H](C)CCCC)c1ccc(F)c(F)c1 1523652605 WPUNMIVTWAVUMY-WBMJQRKESA-N 295.373 4.525 30 10 CJEE C=CC(C)(C)C(=O)NCC1(c2cccc(C)c2)CCCCC1 1527140160 IPYDGSTXHMSURW-UHFFFAOYSA-N 299.458 4.525 30 10 CJEE C=CCCC(C)(C)CNC(=O)C[C@@H](C)CC(C)(C)C 1531441653 QKZJUMWPKFBKBL-CQSZACIVSA-N 267.457 4.557 30 10 CJEE C=CC[C@@H](C(=O)N(C)C1CCC(C)(C)CC1)c1ccccc1 1543920524 WPMXIRIHGAONJS-GOSISDBHSA-N 299.458 4.774 30 10 CJEE CCCCCCCCCN1CCS[C@H](C(C)C)C1 1559564862 WTWAMCVMJAVZNQ-INIZCTEOSA-N 271.514 4.810 30 10 CJEE C=CCCC[C@@H](NCCc1c(C)noc1C)c1ccccc1 1560108983 QQGPSIUZPDVTIJ-LJQANCHMSA-N 298.430 4.521 30 10 CJEE C=CCCC1(CN[C@@H]2CC[C@H](C)[C@H](C)C2)CCCC1 1560532339 ZMKCYMGOIDKCMM-GVDBMIGSSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CC[C@H](Nc2cccc3c2OC(C)(C)C3)C1 1560808606 ZDLUEYBAOKJFOS-ZFWWWQNUSA-N 271.404 4.557 30 10 CJEE C=CC[C@@H](CC)NC(=O)CCCCc1ccc(Cl)cc1 1586212602 ZDQBCPQFVMTTSD-MRXNPFEDSA-N 293.838 4.524 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(C(C)(C)C)c(F)c1 1610962845 DARBNDJINSCEHE-UHFFFAOYSA-N 289.394 4.645 30 10 CJEE C=CCCC(C)(C)NC(=O)NC[C@H]1CCCC[C@H]1CCC 1636162942 IHVBNVBFYNOCDA-HZPDHXFCSA-N 294.483 4.637 30 10 CJEE C=CCCCCCCCCNC(=O)/C=C\C(C)(C)C 1637053256 WJAFFFUBUOWSKH-YPKPFQOOSA-N 265.441 4.622 30 10 CJEE C=CCCCN[C@H](CC(C)C)c1ccc(Cl)cc1 1645075690 BETCQXCILWPAHG-MRXNPFEDSA-N 265.828 4.983 30 10 CJEE C=CC[C@H](Cc1ccccc1)NCc1cc(C)c(C)cc1C 1651208309 JTSYLFYVJQMADQ-OAQYLSRUSA-N 293.454 4.889 30 10 CJEE C=CC1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 1651728580 DKPIPNZUGRXTMT-ZDUSSCGKSA-N 297.364 4.707 30 10 CJEE C=CCCCN(CC)[C@@H](C)c1ccc2c(c1)CCC2 1655811070 GZMNBXJOLFOBPN-HNNXBMFYSA-N 257.421 4.524 30 10 CJEE C=CCN(CCc1ccccc1)CCC1(C#N)CCCCC1 1657138424 WCSVCXRTOZTQJE-UHFFFAOYSA-N 296.458 4.581 30 10 CJEE C=CC1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 1657185650 GWAHXIHEWMAABX-UHFFFAOYSA-N 288.193 4.531 30 10 CJEE C=CCCc1ccccc1N[C@@H](C)C1CC(F)(F)C1 1657882599 WFUMXUOAUDPRJD-LBPRGKRZSA-N 265.347 4.651 30 10 CJEE C#C[C@@H](C)N[C@H](Cc1ccc(Cl)cc1Cl)CC(C)C 1659172671 NRCPMSVYZDLTQO-DOMZBBRYSA-N 298.257 4.562 30 10 CJEE C=CCCC[C@@H](NCc1ccc(COC)o1)c1ccccc1 1663160566 GMMFNSHNMFKIRF-LJQANCHMSA-N 299.414 4.613 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)O[C@@H](C)CC(C)C 1663756181 ZPBRLTGBRFGUMP-INIZCTEOSA-N 289.419 4.636 30 10 CJEE C=CCC1(CN[C@H](C)[C@H](C)CCCC)CCCC1 1664713107 PFRGBHGBCCVEBB-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE C#Cc1ccc(NC(=O)Nc2ccc(CC(C)C)cc2)cc1 1675012317 OWIHSVPNJHQPBL-UHFFFAOYSA-N 292.382 4.510 30 10 CJEE N#CCc1cc(-c2c(Cl)cccc2Cl)ncc1Cl 1848375054 FHQKVLAXBRLTPC-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C[C@@H]1C[C@](C#N)(C2CC(c3ccccc3)C2)CCS1 1875851891 FVUMFEWPJKFDEA-LHUBUQBQSA-N 271.429 4.606 30 10 CJEE CC#CCCC[C@@]1(CNCCC)CCC[C@H](CC)C1 1879641721 RPZHLQRUHOVHKS-ZWKOTPCHSA-N 263.469 4.766 30 10 CJEE COCCC1(C[C@@]2(C#N)CCCC(C)(C)CC2)CC1 1882283408 PNSUYDLZKFUPSY-QGZVFWFLSA-N 263.425 4.693 30 10 CJEE C=C(C)CN(Cc1ccccc1)CC1(C(C)(F)F)CC1 1883110328 KKEAEQPMUXRGOJ-UHFFFAOYSA-N 279.374 4.500 30 10 CJEE CCCCCCCCN(C)[C@@H]1CCO[C@H](CCC)C1 1883320363 SBVNIPAVKSKEHK-IAGOWNOFSA-N 269.473 4.626 30 10 CJEE C=CC[C@H]1CCCCN1Cc1cc(C(F)(F)F)cs1 1884712127 HLYLCPNZJIVIAX-LBPRGKRZSA-N 289.366 4.698 30 10 CJEE C=C(C(=O)c1ccc(F)c(Cl)c1F)c1ccccc1 1888628627 QEMGGMXUVJXALN-UHFFFAOYSA-N 278.685 4.514 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1[C@H]2CC[C@@H](C2)C1(C)C 1893524613 DPVNYASUGQIINW-XAJHFOFHSA-N 261.453 4.536 30 10 CJEE CCCCCCCCC(=O)C1(O)CC2(CCCCC2)C1 1912707283 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283.396 4.532 30 10 CJEE CCCCCCCCCC[C@@H](O)c1ncnc(C)c1C 2206412899 UUESZSKHHBXIJU-MRXNPFEDSA-N 278.440 4.658 30 10 CJEE C=CCCCCCCCCC(=O)[C@@]12CCC[C@@H](C1)OC2 2207373055 IRBSTYGUFRMFTE-WMZOPIPTSA-N 278.436 4.822 30 10 CJEE C=CCCCCCCCCC[C@H](N)[C@H](O)C1(C)CCC1 2207408276 IIPLQEPCJMFJAF-IRXDYDNUSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCOCC[C@H]1CCC[C@@H]1N 2207416099 VXXOHDQCXGNZAB-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@@H](C)CCOC 2207425127 NATPQDGPRLLBHF-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCCO[C@@]1(CN)CCC[C@@H](C)C1 2207425478 RHOHRPQSSTXRDO-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCO[C@@]1(C(C)(C)C)CCNC1 2207428324 XFJVATWYLDMRAR-SFHVURJKSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)C12COC(C)(C1)C2 2207430019 PMSPSQJSNNOOGM-AOCRQIFASA-N 279.468 4.580 30 10 CJEE C=CCCCCCCCC[C@]1(N)C=CCC[C@H]1COC 2207433665 CCGKIBKCVVCEDO-ROUUACIJSA-N 279.468 4.603 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)c1ncc[nH]1 2207437776 NLMUJLVPKDZDPT-MRXNPFEDSA-N 277.456 4.757 30 10 CJEE C=CCCCCCCCC[C@@H](CCOCC(F)F)NC 2207442641 SSFLOAJBNUQZNL-HNNXBMFYSA-N 291.426 4.553 30 10 CJEE CCCCCCCC[C@H](O)C(=O)C1CCC(CC)CC1 2207449189 MMQFOCUKSJIQKC-JCYILVPMSA-N 282.468 4.883 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@@H]1CCCSCC1 2220083222 OHMAVEFQXPPSEO-HZPDHXFCSA-N 270.482 4.797 30 10 CJEE CCCCCCCCCOc1cc(CN)sc1C 2223267485 RXWYILCHPBNNSG-UHFFFAOYSA-N 269.454 4.645 30 10 CJEE CCCCCCCC[C@@H](C)NCC1CC(F)(F)C1 2223849689 ZKRVELDFXRFZJE-CYBMUJFWSA-N 261.400 4.760 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225316561 FAKJJSQKZRBDBX-ZBRFXRBCSA-N 263.469 4.783 30 10 CJEE CCN[C@@H](C#CC(C)(C)C)c1cc2ccccc2s1 2225418493 QTZXTSKOOVYXHT-AWEZNQCLSA-N 271.429 4.601 30 10 CJEE CCCC#C[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2225571533 NNRMSVYKDITGQI-AWEZNQCLSA-N 290.815 4.905 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](O)(CC)CCCC 2227290686 JHQLRAPOZCWXCX-DLBZAZTESA-N 269.473 4.562 30 10 CJEE CC(C)C1(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CC1 2227501267 MOXBYZPUVXHLSP-LLVKDONJSA-N 296.197 4.606 30 10 CJEE C=CCCCCCNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2230640285 QEKRNOWSYBPULU-KZNAEPCWSA-N 263.469 4.929 30 10 CJEE C=C[C@H](CCCCC)OCCC[C@H](CC)NCCC 2231024871 BKXWIXQNZUMVBJ-DLBZAZTESA-N 269.473 4.696 30 10 CJEE CCCCCCCCCCCO[C@H](C)[C@@H]1CCCN1 2231074580 RYHUGNXJWNBGDC-SJORKVTESA-N 269.473 4.674 30 10 CJEE CC[C@@H](C[C@H](O)C#Cc1ccc(Cl)cc1)C(C)(C)C 2231086588 FAAPXPLVCYHWCO-GOEBONIOSA-N 278.823 4.515 30 10 CJEE CCC1CCC(Oc2cc(Cl)c(F)cc2C#N)CC1 2231754760 UETDEKBZHLAYDM-UHFFFAOYSA-N 281.758 4.698 30 10 CJEE CCCCCCCC[C@@H](C)NC1CC2(C1)CC2(F)F 2231923266 KUZAECAIETVXFK-WLYUNCDWSA-N 273.411 4.903 30 10 CJEE CC(C)C1CCC(C=O)(C[C@H]2CC[C@H]2C(F)(F)F)CC1 2232683374 CRRSEAITIWFOGM-PIOWNMBXSA-N 290.369 4.997 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)C1C[C@@H]2CCC[C@H](C1)C2(F)F 2233639684 NTQISBFGJCZHFE-SDKNFDLMSA-N 285.422 4.638 30 10 CJEE C=CCCCCCCCCO[C@H]1CC2(CC[C@@H]1O)CC2 2234049425 WJJQEMLIPQOYQA-IRXDYDNUSA-N 280.452 4.613 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2sc(C)cc2C)C1 2234258954 VIRFSXXCHRVXMC-OWCLPIDISA-N 290.476 4.515 30 10 CJEE CC(C)N[C@]1(C#N)CCC[C@H](SCCCCC2CC2)C1 2235464404 OEQHFXDYIOCMNB-DLBZAZTESA-N 294.508 4.503 30 10 CJEE C=CCCCCCCCN(C)[C@@H](C)c1cccc(O)c1 2235526569 MHEDDUNAYVBXPT-INIZCTEOSA-N 275.436 4.912 30 10 CJEE C=CCCCCCCCC(=O)CC1CCC(CN)CC1 2235532408 KCOOZZFKSLMTJS-UHFFFAOYSA-N 279.468 4.627 30 10 CJEE C=CCCCCCCCOc1c(Cl)cccc1CCN 2235534484 ZFNHZDGAZHCHOG-UHFFFAOYSA-N 295.854 4.747 30 10 CJEE C=CCCCCCCC[C@@H](CCCc1cccs1)NN 2235539010 MOWILBSYRVPVRO-INIZCTEOSA-N 294.508 4.819 30 10 CJEE C=CCCCCCCC[S@](=N)(=O)c1ccccc1OC 2235769325 RCJRSMUAHLENPJ-FQEVSTJZSA-N 295.448 4.627 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC[C@@H]1C[C@H]1C)NCCC 2236447046 KCRLCEDWDQUUPA-BDXSIMOUSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC[C@@H]1C[C@@H]1CC)NCC 2236518460 IYBLZKVQPFMOBC-MHORFTMASA-N 283.500 4.512 30 10 CJEE C#CC[C@@H](C[C@H](CCCC(F)(F)F)NCCC)C1CC1 2238209603 GZIIXCAYTHJPMF-GJZGRUSLSA-N 289.385 4.527 30 10 CJEE O=C(C#Cc1cccc(Cl)c1)c1ccc2sccc2c1 2239481363 IGRASENDVSVKQW-UHFFFAOYSA-N 296.778 4.789 30 10 CJEE CCCCCCCCCO[C@@H](CN)c1ccccc1F 2239487565 RKMGMSIRTBZRPB-KRWDZBQOSA-N 281.415 4.593 30 10 CJEE CCCCCCCCCCCOC[C@@H](CN)C(F)(F)F 2239488455 AATXVPSXTJZMMV-CQSZACIVSA-N 297.405 4.671 30 10 CJEE CCCCCCCCCO[C@](CC)(C(=O)O)[C@H]1C[C@H]1C 2239527285 BPCMVHGVYQNDCL-VYDXJSESSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@]1(CN[C@H](C)CC)C[C@@]12CCOC2 2240107704 RYMYOUJZYVEMAV-KZNAEPCWSA-N 281.484 4.532 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cccc(C(F)F)c1 2240167209 KGLMZBGWVSNTCZ-GUYCJALGSA-N 281.390 4.747 30 10 CJEE C=C(C)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2244405207 WUXYWMCRDZEGPV-ZDUSSCGKSA-N 258.192 4.529 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccsc1Cl 2244656036 FZORUZBBHTWBNU-LBPRGKRZSA-N 257.830 4.799 30 10 CJEE C=CCCCCCCCSc1ccc(CO)s1 2250054984 MMUSJULMXGPAEC-UHFFFAOYSA-N 270.463 4.859 30 10 CJEE FC(F)(F)C1(CSCCCCCCCS)CC1 2252647097 KKNPSUCBALNNJW-UHFFFAOYSA-N 286.428 4.942 30 10 CJEE C=C[C@](C)(CC[C@H]1CCC[C@H](C)C1)CNC(C)C 2253927739 CSNXUSILCOPOIO-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE SC[C@@H](CSC[C@H]1CC12CCC2)c1ccccc1 2254032017 XKUCEPWCFOLDDM-LSDHHAIUSA-N 278.486 4.623 30 10 CJEE CCSc1cccc(SC2C[C@@H]3C[C@H]3C2)c1C#N 2257864983 JREWZONILZGVQN-QWRGUYRKSA-N 275.442 4.561 30 10 CJEE C=C(C)CCCC[C@@]1(O)CC(C)(C)CC2(CC2)C1 2259202269 DEYKIUZROYBXEM-QGZVFWFLSA-N 250.426 4.844 30 10 CJEE CCCCCCCN(C)CC1CC2(CC(C)C2)C1 2259567707 NOXBKZRPDKTJGY-UHFFFAOYSA-N 251.458 4.715 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cccc(O)c1 2264360094 QXUCMAYMMGVCBF-KRWDZBQOSA-N 263.425 4.707 30 10 CJEE CC1=CC[C@H](CCC23CC4CC(CC(C4)C2)C3)C1=O 2265028301 WZSINOLCIDRCSO-QFQXCOSMSA-N 258.405 4.518 30 10 CJEE CC1CC(CS)(CN(C)[C@H](C)c2cccc(Cl)c2)C1 2265309645 JIEHPQYUKWHLEA-MFOWVQHXSA-N 297.895 4.679 30 10 CJEE C[C@H](Nc1c(F)cccc1C#N)c1ccccc1Cl 2265758964 NFFJSOXFDWWOBG-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCSc1ccccc1Nc1c(F)cccc1C#N 2265759164 POXGZCDIKMPQQG-UHFFFAOYSA-N 272.348 4.553 30 10 CJEE CC[C@H](C)C[C@@H](CC)Nc1cc(C)c(C#N)c(C)c1 2265858221 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2274119738 AVTWPOHORUBFDR-INIZCTEOSA-N 270.397 4.518 30 10 CJEE CCCNC[C@@](CC)(CC#CC1CCCC1)C(C)C 2274166189 HQGVPGGOVUNDEC-GOSISDBHSA-N 263.469 4.622 30 10 CJEE C=C([C@@H](NCC)C1CC(CC(C)(C)C)C1)C(F)(F)F 2274200652 AYYQUTJBXGQKCE-WXRRBKDZSA-N 277.374 4.545 30 10 CJEE CCCCCCCC[C@@](C)(CCC)OCCC(=O)O 2274792321 VHZNDMWIVPENRW-MRXNPFEDSA-N 272.429 4.787 30 10 CJEE CCCCCCCCC[C@H](C=C(C)C)OCC(=O)O 2275431074 BDZHCGGOVUZPTN-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE C=C(C)CCCC[C@H](OCCCN)c1cc(C)cs1 2276146380 XZVQEMROXAIWPN-HNNXBMFYSA-N 281.465 4.600 30 10 CJEE CCCCCCCC[C@@H](OCCN)[C@@H]1CCC1(C)C 2276306879 YMTMPRFSPWHECY-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@@H](OCCCN)[C@@H](C)CCC 2276471450 YPONMYLQFIMKCD-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@@H](OCCN)[C@@H](C)C1CC1 2276631160 OAHCNKDLTCBQNV-DOTOQJQBSA-N 269.473 4.517 30 10 CJEE C=CCCCCCCCCC[C@H](OCCN)C(C)C 2276811576 BKAWMIFYVPKOMD-KRWDZBQOSA-N 269.473 4.683 30 10 CJEE C=CC[C@@H](C)[C@@H](OCCCN)c1cc2cscc2s1 2277342129 OMLLGRMQXIILEA-IAQYHMDHSA-N 295.473 4.582 30 10 CJEE C=C([C@H](NCC)c1nc2ccccc2s1)C(C)(C)C 2278000250 BRJMQGSWQCWLBU-AWEZNQCLSA-N 274.433 4.549 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1ccncc1C 2278166057 MLSKAFWLNAJDPZ-QGZVFWFLSA-N 262.441 4.705 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1ccncc1 2278237957 VNXIEGOBFCIRGC-MRXNPFEDSA-N 262.441 4.700 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](N)CC1(C)CC(C)C1 2279454213 ZEBDIESZYSGJFH-QLOLRVAOSA-N 283.500 4.642 30 10 CJEE C=CCCC[C@H](C)NCCC12CC3CC(CC(C3)C1)C2 2279780953 FRHNZKMJAKMEOS-OPRRPXDXSA-N 275.480 4.927 30 10 CJEE Cc1cc(N[C@H]2CCCCC(F)(F)C2)cc(C)c1C#N 2280569634 BDTASVATMKQUMR-ZDUSSCGKSA-N 278.346 4.555 30 10 CJEE N#C[C@]1(C[C@@H]2CCC23CCC3)CCOC12CCCCC2 2280997728 UUSONODVDCDMTF-DOTOQJQBSA-N 273.420 4.590 30 10 CJEE CSCc1ccc(C(=O)CC=CC#CC(C)(C)C)cc1 2284088461 GNUGDYOHVKYSAP-UHFFFAOYSA-N 286.440 4.728 30 10 CJEE CC(C)(C)C#CC=CC[C@H](N)c1cccc(C2CC2)c1 2284098572 IUGXFPAGLBJQKZ-SFHVURJKSA-N 267.416 4.560 30 10 CJEE Cc1ccc([C@@H](C)C(=O)CC=CC#CC(C)(C)C)cc1 2284107036 LKOMEZCAJCEWHR-MRXNPFEDSA-N 268.400 4.663 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@]1(C)C=CCC1 2284158516 KPNGVEQUHMNMNO-HKUYNNGSSA-N 273.464 4.707 30 10 CJEE CCCN[C@H](CC=CC#CC(C)(C)C)[C@@]1(C)C=CCC1 2284158519 KPNGVEQUHMNMNO-MJGOQNOKSA-N 273.464 4.707 30 10 CJEE C[C@H]1CCCC[C@]1(C=O)CCCCCCCCCCO 2286819418 LMFKJOVGTMPRAT-ROUUACIJSA-N 282.468 4.885 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)CC1CC(CC)C1 2289678093 AGQGGGHXJSXTFW-NKELODKYSA-N 275.480 4.765 30 10 CJEE CC1(C)CC([C@@H](O)C#CC2CCCCC2)CC(C)(C)C1 2289706021 OMHVOGQSEKASMQ-KRWDZBQOSA-N 276.464 4.784 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CCCC1(C)C 2289708550 FPDKXLRACBLZNJ-MSOLQXFVSA-N 275.480 4.765 30 10 CJEE C[C@@H]1CC=C(C(=O)Cc2cccc(C(C)(C)C)c2)CC1 2290206287 MALUXGJTQDKOFN-CQSZACIVSA-N 270.416 4.842 30 10 CJEE CCCCCCC[C@@]1(OCC(=O)O)CCC[C@@H]1CCC 2291920579 AECAAPDZRBSJDP-DOTOQJQBSA-N 284.440 4.787 30 10 CJEE C=C(C)CCCC[C@]1(OCCN)CCC(C)(C)C[C@H]1C 2292793382 ZYBFVGYMQDPRFQ-AEFFLSMTSA-N 281.484 4.683 30 10 CJEE CCCCCC#CC[C@@H](CCCC(C)C)OCCCN 2292837340 VIVNRCLLOLZOIJ-SFHVURJKSA-N 281.484 4.521 30 10 CJEE C=CCCCC[C@@](CC)(CC1CCCCC1)OCCN 2293293384 SURWMUVQOQNEGJ-SFHVURJKSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CC[C@@]2(C)C[C@H]21 2293413883 PGGBBMNSZATSSQ-SQNIBIBYSA-N 281.484 4.661 30 10 CJEE Nc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2293880503 JFCXQNLIZUSWRK-UHFFFAOYSA-N 299.373 4.832 30 10 CJEE CCCCCCCC[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)OCCN 2294329069 YTYLNCFZPSMEJS-FJIDUMEYSA-N 281.484 4.517 30 10 CJEE CC1(C)CCC(C)([C@H](O)C#Cc2ccccc2Cl)CC1 2295200338 LALQSCXXZCXOAO-MRXNPFEDSA-N 290.834 4.659 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(N)C#Cc1ccccc1Cl 2295224551 PAGZJJSJMFLAIP-FUHWJXTLSA-N 289.850 4.625 30 10 CJEE C=C1C[C@H]1C[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2301195586 RKNBQTDQDKYTLY-GXFFZTMASA-N 270.203 4.529 30 10 CJEE C[C@@H](CCS)CCOC[C@@H]1C[C@H]1C1CCCCC1 2311650021 ZBUMCZOEFBVVJO-KBMXLJTQSA-N 270.482 4.566 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(F)c(Cl)c1 2313544975 PTLVUEDUFAEYQC-LLVKDONJSA-N 267.775 4.651 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)nc(CCC)n1 2313628723 KKQFZHDIXJKCBD-UHFFFAOYSA-N 282.840 4.695 30 10 CJEE C=CC[C@H](C)Sc1cccc(F)c1[C@H](C)NCC 2313688384 GFWXBDOBSHGPMT-RYUDHWBXSA-N 267.413 4.553 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@@H](C)NC)cc1 2313704417 KUARJBQXOOFVRR-CYBMUJFWSA-N 261.434 4.580 30 10 CJEE CCCCCCCN(C)CC[C@H]1CC[C@@H]1C1CC1 2319611968 JIAGXKQRULDLDI-IAGOWNOFSA-N 251.458 4.715 30 10 CJEE C=CC[C@H](C)[C@H](C[C@@H]1CCC[C@@H](C)C1)NCCC 2321142682 YHGXLXYNTLHGHY-TWMKSMIVSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](CC[C@@H]1CCC(C)(C)C1)CNC(C)C 2321619147 JKUHTIJGEVRKIJ-HZPDHXFCSA-N 251.458 4.783 30 10 CJEE CC1(C)CC[C@@H](CC[C@@]2(C=O)CCCC2(C)C)C1 2321640557 WFGCTKXPYDGJPX-WMLDXEAASA-N 250.426 4.988 30 10 CJEE C=CCCCCCCCS[C@@](C)(C(=O)O)C(C)C 2327158106 NWFLFTQYFNOPFL-OAHLLOKOSA-N 272.454 4.746 30 10 CJEE CCCCCCC[C@@](C)(SCc1ccco1)C(=O)O 2328551538 KRACVTOLWNJMPA-OAHLLOKOSA-N 284.421 4.717 30 10 CJEE C=CCC(CC=C)S[C@@H]1CCC2(CC2)[C@H]1NCCC 2335099264 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2344335698 BROHAYPPNRMXKE-MRXNPFEDSA-N 263.469 4.927 30 10 CJEE C=CCC(C)(C)[C@H](C[C@@H]1CCC[C@H]1C(F)(F)F)NC 2344357454 RBOIYHODVFGNBI-XQQFMLRXSA-N 277.374 4.545 30 10 CJEE C=CC[C@@](C)(CC)[C@H](N)CC1(C)CC(C(F)(F)F)C1 2344383416 SCCAFCVNKGRFKI-FKZOYECMSA-N 277.374 4.675 30 10 CJEE C=CCC(C)(C)[C@@H](O)c1ccc2cccc(Cl)c2n1 2344477985 YOJWLLYJPODCLU-HNNXBMFYSA-N 275.779 4.524 30 10 CJEE CCC[C@H](CC)C[C@]1(C#N)CCc2ccccc2C1 2353531776 PXZAWRPXCQOXEI-MAUKXSAKSA-N 255.405 4.902 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)C[C@@H]2COC[C@@H]21 2353882109 GUWBXXBQQPSQRV-FGTMMUONSA-N 281.484 4.661 30 10 CJEE CC[C@H]1CCC[C@@](C=O)(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)C1 2354836238 UNSSTWBZMKLJAF-NPJQDHAYSA-N 284.390 4.843 30 10 CJEE C=CC[C@H](C)S[C@@H](C)[C@@H](NCCC)c1ccccc1F 2360200376 HFVSOOQEUJDFOL-GRDNDAEWSA-N 295.467 4.953 30 10 CJEE C=CCC(CC=C)OC[C@H](NCCC)c1ccc(C)s1 2360214465 ITHWTRJALRNNME-INIZCTEOSA-N 293.476 4.635 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1CCC1(F)F)OCCN 2360452677 KFGCJFSOIQUPMA-LSDHHAIUSA-N 291.426 4.516 30 10 CJEE CCCC/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1 5417550 VEIKVFOSXIBQAZ-OBGWFSINSA-N 297.358 4.601 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1ccc(Cl)c(Cl)c1 37937965 IPCPHIYWCUXMCQ-OAHLLOKOSA-N 291.181 4.979 30 10 CJEE N#C[C@@H](NC1CCCCCC1)c1ccc2ccccc2c1 37970069 ZOTLDUBOIHDTSS-LJQANCHMSA-N 278.399 4.717 30 10 CJEE O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccccc1 40144968 AICPTBKWUNGAKZ-ZRDIBKRKSA-N 292.309 4.982 30 10 CJEE N#Cc1ccc(NCc2ccc(Cl)c(F)c2)cc1Cl 43388755 AFLCKQMKPIQUAK-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1ccccc1N[C@H](C#N)c1csc2ccccc12 54464745 FFSPKESTYONRBK-MRXNPFEDSA-N 278.380 4.887 30 10 CJEE CCCCCCCCNc1ccc2c(c1)OCCCO2 59088726 OCBWUWVZNAWLGL-UHFFFAOYSA-N 277.408 4.620 30 10 CJEE CCCCCCCCOCC(=O)c1ccc(C)c(C)c1 59526320 YDLOKEZGFOEWEI-UHFFFAOYSA-N 276.420 4.863 30 10 CJEE CC(C)n1nc(-c2ccccc2F)c2c1CCC[C@@H]2CC#N 82825891 ATCMWXAABLMOPJ-CYBMUJFWSA-N 297.377 4.604 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2)CC1 86949111 LKZLUWJALDWIJF-NVXWUHKLSA-N 256.393 4.597 30 10 CJEE CCN(C[C@@H](CS)c1ccccc1)c1cccc(C)c1 94579311 ZKSUSQDKVWOTQB-KRWDZBQOSA-N 285.456 4.535 30 10 CJEE SC[C@@H](COCc1ccccc1Cl)c1ccccc1 94583589 LEMNFCUFEYMDAH-OAHLLOKOSA-N 292.831 4.570 30 10 CJEE CCOc1ccc(/C=C2/CC[C@@H](C3CCCC3)C2=O)cc1 104375446 MVZFLRFXIMQFPU-ZUTYSQTGSA-N 284.399 4.638 30 10 CJEE CCCCCCCCNCc1cc(Cl)c2c(c1)OCO2 105807785 DDVJQMUNTBXVCV-UHFFFAOYSA-N 297.826 4.519 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)/C(=C\c2ccc(Cl)cc2)C1=O 106854302 IHYARCZAYSTOJD-GJWHOYOLSA-N 276.807 4.995 30 10 CJEE CCCCCCCC(=O)C1(c2ccccc2)CCOCC1 108960708 NWXCBNNHLACXBW-UHFFFAOYSA-N 288.431 4.664 30 10 CJEE CCCCCCCC[C@H](CS[C@H](C)CC)NC 114866383 YPIQOQVJMFFOTL-HUUCEWRRSA-N 259.503 4.857 30 10 CJEE CCCCCCCCCn1ccc(C[C@H](N)CC)c1 117988990 WNXUPOUNSFFRSZ-QGZVFWFLSA-N 264.457 4.519 30 10 CJEE C[C@@H]1CC[C@H](Nc2ccc(F)cc2C#N)c2ccccc21 126329138 BTMXEABVGJDSBV-XIKOKIGWSA-N 280.346 4.748 30 10 CJEE CC[C@H](C)Oc1cccc(Nc2ccc(C#N)c(C)c2)c1 126889298 WVGSTNGHFMHRIQ-AWEZNQCLSA-N 280.371 4.788 30 10 CJEE CCc1ccc([C@H](C)Nc2cc(C#N)ccc2Cl)cc1 127802655 YYEZMNKLAAKIRX-LBPRGKRZSA-N 284.790 4.947 30 10 CJEE Fc1ccc(NCCCC(F)(F)F)cc1C(F)(F)F 133749193 XMKGNYKMBNSRLO-UHFFFAOYSA-N 289.194 4.599 30 10 CJEE CCCCCCCCn1c(Cl)nnc1-c1ccccc1 147376380 IYORTFQHAGXVJP-UHFFFAOYSA-N 291.826 4.959 30 10 CJEE CCCCCC(C)(C)CNc1cc(C)nc(C)c1C#N 156594496 BVEIUYUJKYNFRN-UHFFFAOYSA-N 273.424 4.589 30 10 CJEE C=C[C@@](C)(CNC(C)(C)C)C[C@@H]1CSc2ccccc21 158908480 WSMLSTDDZFZUDV-RDTXWAMCSA-N 289.488 4.846 30 10 CJEE CCCC(CS)(CCC)CN1CC[C@@H]2CCCC[C@@H]21 163546044 UJVYVFOJXULPAW-HOTGVXAUSA-N 283.525 4.767 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(F)c(Cl)c2)C1 164698826 GFFMWIJWEHGZCW-LYRGGWFBSA-N 295.785 4.623 30 10 CJEE C=CCCC[C@@H](CC12CC3CC(CC(C3)C1)C2)NCC 167745660 KUUXYBCKPVZOSM-NNGLDNROSA-N 275.480 4.927 30 10 CJEE Cc1cc(C#N)ccc1Nc1ccc(C(F)(F)F)cc1 203442336 OYNURPCGISGDJC-UHFFFAOYSA-N 276.261 4.629 30 10 CJEE CCCCCCCCCC[C@]1(C#N)CCCOC1 203531079 SIIGQWHFYCZXES-MRXNPFEDSA-N 251.414 4.838 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1CCCC[C@@H]1CN 226554125 GFRXKJXMOKYEJC-IAGOWNOFSA-N 281.484 4.851 30 10 CJEE CC(C)(C)c1ccc(Nc2cccc(C#N)c2)cc1 227604443 NVMMUJAFUOGZPP-UHFFFAOYSA-N 250.345 4.599 30 10 CJEE CCCCCCCC[C@@H](Cc1nccn1CC)NCCC 229805413 WBIYBNXWGAXPPJ-KRWDZBQOSA-N 293.499 4.564 30 10 CJEE CC(C)c1cccc(OCCCCC(C)(C)C#N)c1 232751636 AYXDNKWOCLCSJC-UHFFFAOYSA-N 259.393 4.909 30 10 CJEE CCCCCCCNc1ccc(Br)nc1C 232923400 IYULIUSLOLYQJY-UHFFFAOYSA-N 285.229 4.535 30 10 CJEE CCCCCCCCN[C@H]1CCCc2ccc(O)cc21 232939366 RDPRJAPDLZRITR-SFHVURJKSA-N 275.436 4.720 30 10 CJEE CCCCCSc1ccc(CNCC(C)C)cc1C#N 233091624 YPJLEBAJBUJERN-UHFFFAOYSA-N 290.476 4.586 30 10 CJEE CCCCCCC[C@@]1(CNCCC)C[C@@H]2C[C@@H]2C1 250802416 DGKPTRRXQVNKSA-FVQHAEBGSA-N 251.458 4.763 30 10 CJEE Cc1[nH]c2c(F)cc(C3(C#N)CCCCC3)cc2c1C 260417228 IDYDVQDVSMBVNE-UHFFFAOYSA-N 270.351 4.649 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCC[C@H](SC)C1 300678867 UMYRXRRFOQNUDY-JYJNAYRXSA-N 271.514 4.999 30 10 CJEE N#CC[C@@H]1CCC[C@H](c2cc(Cl)ccc2Cl)O1 310273841 NYYMWKUVBYLHGD-GXFFZTMASA-N 270.159 4.517 30 10 CJEE C=CCC(C)(C)CNC[C@@H](c1ccccc1)C(C)C 311778318 YBDIURPTYFRORL-QGZVFWFLSA-N 259.437 4.618 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H]1C[C@H]2CC[C@H]1C2 314977735 PYQQCMIEJFBMCJ-NXOAAHMSSA-N 252.442 4.924 30 10 CJEE CCCCCCC[C@@]1(CNCCOC)CCCC[C@@H]1C 318910867 UGFBKENCJATWJS-ROUUACIJSA-N 283.500 4.779 30 10 CJEE CC[C@H](C)[C@H](C)[C@H](C#N)c1cccc(Br)c1 319652467 DPWFLUQEGPZOSJ-MJVIPROJSA-N 280.209 4.738 30 10 CJEE CCCCCCCC[C@H](CN1CCCCC1)NCCC 328180137 NBBVVYGULYSNQG-GOSISDBHSA-N 282.516 4.591 30 10 CJEE C[C@H]1CCCC[C@]1(C#N)CCSc1ccccc1 384884164 RQBRMXWIPVXKHR-GOEBONIOSA-N 259.418 4.889 30 10 CJEE CC/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(CC)cc1 396699380 HPXWEYHVUKWLKC-SQFISAMPSA-N 286.224 4.674 30 10 CJEE Cc1cccc(SC[C@@H](C#N)C2CCCCC2)c1 397312381 OMLPAVPPZCSCQW-OAHLLOKOSA-N 259.418 4.807 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1 403357831 GWCGFLLTXKWLRH-DPKKHUKBSA-N 262.437 4.844 30 10 CJEE CCCCCCCCCNCCCCCCCC(=O)O 403954293 FUKBHHDRIYTLKU-UHFFFAOYSA-N 285.472 4.752 30 10 CJEE CCCCCCCCCCCC[C@@H]1[C@H](O)CO[C@H]1C 405738486 BDTQHSYOSTYOGI-YESZJQIVSA-N 270.457 4.693 30 10 CJEE C=C(C)CCS[C@@H](C)C(=O)Nc1cccc(Cl)c1C 507833424 JIOBOTWMDXNEPV-LBPRGKRZSA-N 297.851 4.675 30 10 CJEE CCOc1cc(C)ccc1N[C@@H](C)c1ccc(C#N)cc1F 512289804 VDCPYVJPPRDGIE-ZDUSSCGKSA-N 298.361 4.578 30 10 CJEE C#CCCCCCN[C@H](C)c1ccc(Cl)cc1Cl 686683330 WSVJTFWVLUQAHK-GFCCVEGCSA-N 284.230 4.838 30 10 CJEE C#CCCCCCC(=O)CSc1ccccc1Cl 686688052 CLWSMBLZUWAVFQ-UHFFFAOYSA-N 280.820 4.585 30 10 CJEE CCCCCC[C@@H](C)/N=C1/NC2(CCCC2)CCS1 687319388 MOQVVDNVBLYZLV-CQSZACIVSA-N 282.497 4.741 30 10 CJEE CCCCCCCC[C@H](C[C@H]1CCCOC1)NCC 689484542 MEKUHSIXFZJWAG-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](CNCCC)CC(C)(C)C(F)(F)CC 691019112 GPBFQMDQMAEWQI-ZDUSSCGKSA-N 261.400 4.640 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ccc(C(C)(C)C)cn1 692235354 RDTLDTXIKOWUAG-HOCLYGCPSA-N 272.436 4.926 30 10 CJEE CCSc1cccc(NC[C@]23CCCC[C@@H]2C3)c1C#N 693534545 MEEJUUXQDTXFRE-CXAGYDPISA-N 286.444 4.662 30 10 CJEE CCCCCCCCOCC[C@@H](NC)c1ccccc1 694989827 NSSFBVVZIYTWBE-GOSISDBHSA-N 277.452 4.714 30 10 CJEE C=C1C[C@H]2CC(NCc3ccsc3Cl)C[C@@H](C1)C2 697314554 FHLZHFHRBCTWFB-ONXXMXGDSA-N 281.852 4.626 30 10 CJEE C[C@@H]1CCC[C@@H](N(C)CC2(CS)CCCCC2)CC1 697838622 RJAKYSLCNGVZEK-HZPDHXFCSA-N 283.525 4.767 30 10 CJEE CCCCCCC[C@H](NN)[C@]1(C)CC[C@@H](C)C1(C)C 699135790 QSFRMZUSSZYUHK-VYDXJSESSA-N 268.489 4.641 30 10 CJEE CCCCCCCCCC[C@H](O)Cc1cccc(N)c1 702398172 ONFVPZBTMKZAQB-SFHVURJKSA-N 277.452 4.703 30 10 CJEE C=CCCC(C)(C)CN[C@@H]1c2ccccc2CC1(C)C 703996894 XQAQQJVJXFZPIO-QGZVFWFLSA-N 271.448 4.892 30 10 CJEE CCCCCCCCCC[C@@]1(N)C[C@@H](OC)C12CCC2 707491303 BPWIZEZAWSSAGK-SJLPKXTDSA-N 281.484 4.804 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CSc2ccccc21 709356417 SOYMAFPCYSTMRV-KBMXLJTQSA-N 273.445 4.558 30 10 CJEE C=C(Cl)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1CNC1CC1 710624442 WUTKZRAJRNLZHK-RBSFLKMASA-N 269.860 4.570 30 10 CJEE 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CCCCCC/C=C\CCCCC[C@H](O)CC(=O)OCC 888085826 SSSJDZBCNFYNSP-IBSYWUHOSA-N 298.467 4.778 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 1126848814 KFPCORPVAOSGDP-FUHWJXTLSA-N 299.458 4.631 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H](C)CC2CCCC2)c1 1134837954 GSXCEFOENJZAOW-CQSZACIVSA-N 271.404 4.875 30 10 CJEE C=CCC[C@@H](CCC)NC[C@H](C)Oc1ccc(Cl)cc1 1180885768 UJQASKJBFLKZFU-GOEBONIOSA-N 295.854 4.832 30 10 CJEE C=CCCCN[C@H](CC1CCCC1)c1ccccc1 1192802584 MRHBHNGXXUZUIY-GOSISDBHSA-N 257.421 4.864 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(Cl)cc1SC 1207567699 WPAYHDCXXLGMOW-UHFFFAOYSA-N 298.839 4.540 30 10 CJEE C=C[C@H](CC(=O)O[C@H]1CCCC(C)(C)C1)c1ccccc1 1275117316 ZGVOKYAXDXPDHC-WBVHZDCISA-N 286.415 4.858 30 10 CJEE C=C(CC)CN(Cc1ccccc1)C1CCCCC1 1307425563 IUVUTOBQEDHMFA-UHFFFAOYSA-N 257.421 4.788 30 10 CJEE C=CCOc1ccc(Oc2nc3c(C)cccc3s2)cc1 1458212867 UPPIUCHSEVQRIV-UHFFFAOYSA-N 297.379 4.962 30 10 CJEE Cc1ccc(C)c([C@@H](C)NCCC2(C#N)CCCCC2)c1 1459887924 DRVBXTQATAFMOJ-QGZVFWFLSA-N 284.447 4.818 30 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Cc1ccc(C#N)c(N(C)C[C@@H]2CCCC(C)(C)C2)c1 2168551006 DMVSWUNATHPUIO-OAHLLOKOSA-N 270.420 4.519 30 10 CJEE CC1(C)CCC[C@@H]([C@@](C)(N)CC#CC2CCCCC2)C1 2168589745 XLQVJZZULZCSDM-MJGOQNOKSA-N 275.480 4.894 30 10 CJEE CCCCCCCCCCNC1CN(C(CC)CC)C1 2169296468 CWZMYKYUZDHOPD-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CCCCCCC[C@@](C)(O)c1cncc(C(C)(F)F)c1 2171046017 SUYPWSQUPRYJAQ-OAHLLOKOSA-N 285.378 4.761 30 10 CJEE N#Cc1cc(F)c(Nc2ccc3c(c2)CCC3)cc1Cl 2177392904 KHYWKQKTFIVROC-UHFFFAOYSA-N 286.737 4.583 30 10 CJEE C#CCOc1ccc(N[C@H](c2cccs2)C(C)C)cc1 2179321247 KWNJHVFWVPWGTN-KRWDZBQOSA-N 285.412 4.569 30 10 CJEE C=CCCCC[C@H](NCCC)c1c(F)cccc1OC 2179678598 DRBXHMALMLXWJZ-HNNXBMFYSA-N 279.399 4.621 30 10 CJEE C[C@H](C(=O)C1=CC[C@@H](C(C)(C)C)CC1)[C@H]1CCCCO1 2181641417 DWWFUEINFPTYCR-NUEKZKHPSA-N 278.436 4.533 30 10 CJEE CN([C@H]1CCCCCC12CC2)[C@@H]1CCCCC[C@H]1C#N 2182477107 RSMHJDRJOMUKEY-BBWFWOEESA-N 274.452 4.504 30 10 CJEE CSc1cccc(NCC2C[C@@H]3CCC[C@H]3C2)c1C#N 2183299557 JQLGYWPWLVXRHN-KBPBESRZSA-N 286.444 4.518 30 10 CJEE C=CC1(C[C@]2(CNC(C)C)CCCC(F)(F)C2)CCC1 2184839014 NNZNYIFMQPBGJJ-MRXNPFEDSA-N 285.422 4.927 30 10 CJEE C=C(C)CN(c1ccc(CNC(C)C)c(Cl)c1)C(C)C 2186474343 VSUHOTDELVOYEW-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE CCCN[C@@H](CC#CC1CCCCC1)[C@@H]1CCC1(C)C 2188516668 NOJXAAQLDFJTHH-ROUUACIJSA-N 275.480 4.765 30 10 CJEE CCCC1(COc2ccc(C(CC)=NO)cc2)CCC1 2189633617 RNXOJXGUNSXDBM-UHFFFAOYSA-N 275.392 4.624 30 10 CJEE CCCCCCCCC[C@@H](O)C12CCC(C)(CC1)OC2 2190079692 BFMWZOGDDAJSMN-WWDZGPRUSA-N 282.468 4.837 30 10 CJEE CC1(C)C[C@@H]1CCC[C@]1(C=O)CCOC12CCCCC2 2190284632 OUNTXIKHUNJKBF-DOTOQJQBSA-N 278.436 4.511 30 10 CJEE CC(C)(CC(F)(F)F)C[C@@]1(C#N)CCOC12CCCC2 2190320054 MKFLTVSNDIPTHH-CYBMUJFWSA-N 289.341 4.598 30 10 CJEE CCCC1CCC(c2nc3ccc(C#N)cc3[nH]2)CC1 2192845932 OBPUZSYBRCUDAE-UHFFFAOYSA-N 267.376 4.508 30 10 CJEE CCC1=CC[C@H](CC2CC3(C2)C(F)(F)C32CCC2)C1=O 2195037199 KRQRGWUPHVOTIZ-RYCVTPFZSA-N 280.358 4.518 30 10 CJEE CCCCCCCCCCN(C)C[C@H]1CCCN1CC 2195667716 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C=CCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)c(C)c1 2206892588 SLDOCUFVGNHSNW-DLBZAZTESA-N 295.854 4.536 30 10 CJEE C=CCCCCCC[C@@H](NC)c1cc(F)ccc1OC 2206895309 SUIAMOASNPPDRQ-MRXNPFEDSA-N 279.399 4.621 30 10 CJEE C=CCCCCCCC(=O)[C@@H](O)c1ccc(C)c(Cl)c1 2206898130 QBLSIVVDROFCOC-KRWDZBQOSA-N 294.822 4.778 30 10 CJEE C=CCCCCCCO[C@H]1CC(C)(C)CC[C@@H]1NCC 2206899992 OZHKRIJPSLTEKV-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 2206901697 DMTODODYNQKOES-ADHGMGHFSA-N 281.484 4.551 30 10 CJEE C=CCCCCCCCC[C@H](NC)[C@](C)(O)C(C)(C)C 2207391431 LUHIUHVHNLGJNM-WMZOPIPTSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCNCc1cc(CCC)no1 2207435632 JTDCSZMWQYSZNM-UHFFFAOYSA-N 278.440 4.633 30 10 CJEE C=CCCCCCCCCCN[C@@H]1CC[C@@H](COC)C1 2207437182 LLOFTLYDZBKCOB-QZTJIDSGSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@H](N)C[C@H]1CC[C@H]1OC 2207438927 AAMLBPRRKHCXJT-FGTMMUONSA-N 281.484 4.826 30 10 CJEE CCCCCCCCCNC1CCN(CCCC)CC1 2207445520 AYIIPMRMNSMHDP-UHFFFAOYSA-N 282.516 4.591 30 10 CJEE C=C(Cl)Cc1cc(Cl)ccc1OC(F)(F)F 2212503655 CJQFSWXPNVHQIY-UHFFFAOYSA-N 271.065 4.534 30 10 CJEE SCC1(COCc2ccc(Cl)cc2Cl)CCC1 2217020780 SHMDLVKKNXFMQG-UHFFFAOYSA-N 291.243 4.610 30 10 CJEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1 2219206383 MXLLZUYMACIYAT-YPMHNXCESA-N 284.230 4.692 30 10 CJEE C=CCCCCCCC[C@@H](NCC)c1ccns1 2220085451 WQXMZHWKGLINNI-CQSZACIVSA-N 266.454 4.710 30 10 CJEE C=CCCCCCCC[C@]1(CN)CCS[C@@H](C)C1 2220089945 ATKCATHYDRQIET-HOTGVXAUSA-N 269.498 4.764 30 10 CJEE CCCCCCC[C@H](C)NC[C@H](F)C1CCCC1 2222406832 GGDAJWOSSXXLEF-HOCLYGCPSA-N 257.437 4.853 30 10 CJEE CCCCCCCO[C@@H](C)CCCN[C@H](C)CC 2222610771 ZLNHONAAGOSVLC-CVEARBPZSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@](C)(N)C[C@H]1[C@H]2CCC[C@H]21 2223827788 DQRPYJZDHAHBLW-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE C=CCCCCc1cc(Cl)cc(CNCCC)c1 2223922641 SSZVWYSOWWCAFX-UHFFFAOYSA-N 265.828 4.738 30 10 CJEE N#C[C@]1(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)CCC(F)(F)C1 2225365723 JRWKEVRLWQEEIM-YJNKXOJESA-N 267.363 4.922 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H]1CCCC2(CCCCC2)C1 2226326360 TXJJYHRBKQFJHZ-DLBZAZTESA-N 261.453 4.517 30 10 CJEE Cc1ccc(C#N)c(Nc2cc(C)c(Cl)cc2F)c1 2226387049 RQKRBRUHQNJQRC-UHFFFAOYSA-N 274.726 4.711 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CCCC(C)(C)O1 2227267000 BHZMPXIKLAMWNH-HOTGVXAUSA-N 267.457 4.578 30 10 CJEE C=CCCCCCCCN[C@H](C(F)F)C1CCCC1 2227270421 FEADEUNRCHOWOI-HNNXBMFYSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCC[C@H](N)c1cc(C)nc(C)c1 2227273194 GULXYCUSFCOZJN-KRWDZBQOSA-N 260.425 4.615 30 10 CJEE C=CCCCCCCC[C@@H](N)Cc1ccccc1F 2227274525 KMMBIEVSIYWORV-MRXNPFEDSA-N 263.400 4.612 30 10 CJEE CC1(C)CC(C)(C[C@]2(C#N)CCc3ccccc32)C1 2228370792 WLHNOYUEPGLQHF-SFHVURJKSA-N 253.389 4.611 30 10 CJEE Cc1ccc(N[C@H](C#N)c2sc(C)c(C)c2C)cc1 2228567365 GDDXSTYSGBHBBL-OAHLLOKOSA-N 270.401 4.659 30 10 CJEE CCCCCCC[C@H](C)N[C@H]1CCCc2ncsc21 2229757311 WJFBEJBHVPNVAE-ZFWWWQNUSA-N 280.481 4.859 30 10 CJEE CC(C)C[C@H](C(=O)C#Cc1cccc(Cl)c1)C(C)C 2231076783 RQYSAJDJUHNNCS-INIZCTEOSA-N 276.807 4.579 30 10 CJEE CCCCCCCC[C@](C)(N)CC[C@@H]1OCC[C@H]1C 2231900868 MKTDEPBGRHJBJO-IKGGRYGDSA-N 269.473 4.660 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)[C@@H](C)c1ccccc1 2232370042 ACZCCUXGPALWPD-SOLBZPMBSA-N 259.437 4.761 30 10 CJEE C=CCCCCCCC[C@H](NN)C1CCC(CC)CC1 2235537781 DZUGXKDIQIXLSU-ABHNRTSZSA-N 280.500 4.951 30 10 CJEE CCCCCCC[C@H](O)[C@H](CC[C@H]1C[C@H]1C)NCCC 2236447050 KCRLCEDWDQUUPA-OWSLCNJRSA-N 283.500 4.512 30 10 CJEE CCCCCCCOCc1ccc(CN[C@@H](C)CC)o1 2238505252 JPLWPVDLROJOSE-HNNXBMFYSA-N 281.440 4.655 30 10 CJEE C#CCCN(CC(C)C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2239255048 IRAJDVMGQWNXAZ-CEXWTWQISA-N 275.480 4.574 30 10 CJEE O[C@@]1(C#Cc2ccc(Cl)cc2)CCCCC12CCCC2 2239453349 QULOBTYIIUJPGA-GOSISDBHSA-N 288.818 4.557 30 10 CJEE CCCCCCCCCCOC[C@H](O)C(C)(C)C(F)F 2239502185 RPZFARHNQFMFOM-AWEZNQCLSA-N 294.426 4.796 30 10 CJEE CCCCCCCCC[C@H](N)C12CCC(OC)(CC1)C2 2240267976 CPAUXAQDYUFGQE-AOCRQIFASA-N 281.484 4.804 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@H](N)C1CCCCCC1 2240638439 UQDOAQTVSQWLKP-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCC[C@@H](C)NC[C@H](CO)CC(C)(C)C 2240657256 KUFPUELUXCLAEJ-IAGOWNOFSA-N 285.516 4.760 30 10 CJEE C=C([C@@H](NCCC)[C@@H](C)c1ccc(C)cc1)C(F)(F)F 2240824852 ITUBJQYJOWTHQB-WFASDCNBSA-N 285.353 4.585 30 10 CJEE C=C(C)CN(CCCC[C@H]1C[C@H]1C)Cc1ccccc1 2241386847 QYISYQQAMZKYCX-MJGOQNOKSA-N 271.448 4.891 30 10 CJEE C=CCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2243865058 VCVRDZJLMGQPME-ZDUSSCGKSA-N 258.192 4.658 30 10 CJEE Cc1cc(NCc2ccsc2Cl)cc(C)c1C#N 2254650914 PTEYAFDQQPYNRR-UHFFFAOYSA-N 276.792 4.502 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(Cl)nc(Cl)c2)C1 2258725554 DEASYTIWNYOMKB-YGRLFVJLSA-N 283.202 4.651 30 10 CJEE C=CCCCCCCCS[C@@H]1CC[C@@H](N)[C@@H]1CC 2259063474 ZIYVKJJGMMITGU-ARFHVFGLSA-N 269.498 4.762 30 10 CJEE C=C(C)CCCC[C@@H](NC)c1cnc(C(C)C)s1 2259177507 YQOFMWHPQCFBAT-CYBMUJFWSA-N 266.454 4.664 30 10 CJEE C=C(C)CCCCSc1ccc([C@@H](C)NC)cc1 2259192140 BJOAVCWNKBVLLT-CQSZACIVSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@H](NCC)C1(C)CCSCC1 2259214008 XUPYSUNUJQXUJU-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE CCCCCCCCOCC[C@@H]1CCCCC1=O 2260344576 QYLKYASBHQUYLE-HNNXBMFYSA-N 254.414 4.513 30 10 CJEE C=C[C@H](C)CCN[C@@H]1CCSc2ccc(Cl)cc21 2260399970 JHSSJWXLBWHLTB-SMDDNHRTSA-N 281.852 4.679 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(OC)CC(C)C1 2266324029 GSFXLOQLIUBTHP-AQFXKWCLSA-N 269.473 4.530 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C[C@@H]2CCCC23CC3)CC1 2266704017 RTNOYOHMMIQDER-HOCLYGCPSA-N 260.421 4.908 30 10 CJEE Cc1ccc(Cl)cc1C(=O)CC=CC#CC(C)(C)C 2268727405 BKKKGHAODUUIFO-UHFFFAOYSA-N 274.791 4.827 30 10 CJEE CCCC(C)(C)[C@@H](CC=CC#CC(C)(C)C)NCC 2268753428 WWEWAFYTYVHDAZ-MRXNPFEDSA-N 263.469 4.787 30 10 CJEE C=CCCCCCCCS[C@H]1CCC2(CC2)[C@@H]1NC 2271597749 ZILMUUMVBABNBC-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE CCCN(CC#CC1CCCC1)C1CCCCCC1 2274131037 FUFSBHKVUYKBAL-UHFFFAOYSA-N 261.453 4.615 30 10 CJEE C=CCCCCCCN1CCC(SC(F)(F)F)CC1 2274250875 AWOIFFOZYIWLIJ-UHFFFAOYSA-N 295.414 4.840 30 10 CJEE CCCCCCC[C@@](CC)(C[C@@H](C)CC)OCCN 2276755629 XBLYEKBFOKRPBR-IRXDYDNUSA-N 271.489 4.907 30 10 CJEE Cc1cc(C#N)cc(Nc2cc(C)c(Cl)cc2Cl)n1 2277456089 WKXUWXWVRUBRKS-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE CCCCCCCCCCCCO[C@@]12CCNC[C@@H]1C2 2279986812 YZLUMEQNVGLJPR-ZWKOTPCHSA-N 281.484 4.676 30 10 CJEE C=C(CN(C)CC1CC2(CCCC2)C1)c1ccccc1 2279987188 MMNCZJGDZZYHGE-UHFFFAOYSA-N 269.432 4.602 30 10 CJEE CCCc1ccc(C[C@@]2(C=O)CCCCC23CC3)cc1 2283531327 WHCWAAXNUDFVHE-LJQANCHMSA-N 270.416 4.721 30 10 CJEE CCCCCCCCCCOC[C@@]1(N)C[C@H]2CC[C@H]1C2 2283876560 WEDXIHGFZBLMLC-BZSNNMDCSA-N 281.484 4.661 30 10 CJEE CC(C)(C)C#CC=CCC(=O)[C@@]12CCCC[C@H]1CCC2 2284110592 FCWJSKSONZCPMD-QFBILLFUSA-N 272.432 4.912 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)[C@H]1CCCCC12CC2 2284180986 XVTXLMPPHKTQOV-SJORKVTESA-N 273.464 4.541 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@H]2CCC[C@@H]2C(F)F)C1 2285586677 DWLHDJHMDBUFPL-CABCVRRESA-N 285.422 4.640 30 10 CJEE C=CCC[C@@H](C)[C@H](NCC)c1c(C)cc(OC)cc1C 2286490442 IHFPBZFHULCYHF-ACJLOTCBSA-N 275.436 4.565 30 10 CJEE C=C(C)CCCCOc1ccc(CNC(C)C)c(Cl)c1 2287412292 BPQMBIGGMZJQJG-UHFFFAOYSA-N 295.854 4.963 30 10 CJEE C=C(C)CCCC[C@H](O)[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2287414756 RIIDRUPEPXLBEQ-JONQDZQNSA-N 286.406 4.945 30 10 CJEE CCCN[C@H](CC#CC1CCCC1)c1cc(C)sc1C 2289839708 HKYWCOGJWKPNMC-GOSISDBHSA-N 289.488 4.989 30 10 CJEE CC[C@](O)(CC#CC1CCCC1)C1CCC(F)(F)CC1 2289904892 NXRXMXYWBALRMA-INIZCTEOSA-N 284.390 4.537 30 10 CJEE CC(C)(C)CC1CC(CN[C@@H]2CCCCC[C@@H]2C#N)C1 2290037422 PRCFSDGOGZUKLJ-BHUNQDJPSA-N 276.468 4.511 30 10 CJEE CC1(C)CCC(C)(C)[C@H](NC[C@@H](C#N)C2CCCC2)C1 2290338456 GFJSYSGKEJDQJL-HZPDHXFCSA-N 276.468 4.511 30 10 CJEE C=C1C[C@H]1C[C@H](CCCCCCCC)OCCC(=O)O 2290999178 WMFMHOHPCDRWRA-HOTGVXAUSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H]1CCC[C@@H](C)C1 2291770244 CCLQAJRLVYLKJZ-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H]1CCC[C@H](C)C1 2291770246 CCLQAJRLVYLKJZ-XHSDSOJGSA-N 284.440 4.643 30 10 CJEE C=CCCCCCCC[C@@](CC)(OCC(=O)O)C1CC1 2291809667 MJPYAQWGUYONMZ-QGZVFWFLSA-N 282.424 4.563 30 10 CJEE C=CCCCCCCC[C@@]1(OCC(=O)O)CCC[C@H]1C 2291812024 VAVRSDXQTUUUMV-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(C[C@H](C)C1CC1)OCC(=O)O 2292729893 CSRVLESHBYEUFY-WMLDXEAASA-N 284.440 4.643 30 10 CJEE C=CCCC[C@](CC)(OCCCN)c1cccc(Cl)c1 2292738822 BBMGYNQSCIPSBM-KRWDZBQOSA-N 295.854 4.667 30 10 CJEE C=C1CCC(C[C@@H](CC(CC)CC)OCCCN)CC1 2292904767 ARQYSVNYQNRAMV-GOSISDBHSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@H](OCCCN)c1ccco1 2293188210 ZMYQLKFXVYYBFC-MRXNPFEDSA-N 281.440 4.827 30 10 CJEE CCCCCCC[C@@H](OCCCN)c1ccccc1F 2293235615 IPOYAQGNEOSIAJ-QGZVFWFLSA-N 281.415 4.593 30 10 CJEE CCCCCCCC[C@H](CC1CC2(CC2)C1)OCCN 2293322546 ONJNSQAAKYHLRT-QGZVFWFLSA-N 281.484 4.661 30 10 CJEE CCCCCCCC[C@]1(OCCN)C[C@@H]2CCC[C@@H]2C1 2293367851 HJUVNVQYWDZQRX-BCDXTJNWSA-N 281.484 4.661 30 10 CJEE CCCCCCC[C@](C)(C[C@H]1CC[C@H]1C)OCCCN 2293601442 UNGWQTDJCPWQNY-KZNAEPCWSA-N 283.500 4.907 30 10 CJEE C=C(F)C[C@]1(OCCCN)CCC[C@@H](C(C)(C)C)CC1 2293630271 PQLDIHIQYGBCCU-WBVHZDCISA-N 285.447 4.590 30 10 CJEE C=CCC[C@H](C)[C@](C)(CC1CCCCC1)OCCCN 2294225432 RWKSAGNQEURTGI-WMZOPIPTSA-N 281.484 4.683 30 10 CJEE CCCCCCCCC[C@@](C)(O)c1nnc(C2CC2)s1 2295588612 HBZXVOUZAQEUKC-MRXNPFEDSA-N 296.480 4.764 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@@H](OCC)C1CC1 2295671688 SVXNJQSQDMPLLA-FUHWJXTLSA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@H](C)NCc1cnn(C)c1Cl 2295674276 PPOXMYXQFMWUPU-AWEZNQCLSA-N 299.890 4.692 30 10 CJEE CCCCCCCCC[C@@H](C)NCCc1cnc(C)o1 2295677714 DHDQYLYEYRYLTP-OAHLLOKOSA-N 280.456 4.644 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1sccc1C 2295678261 XRVYMSBHDRETEP-IRXDYDNUSA-N 297.508 4.948 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CC(C)(C)[C@H]1OC 2295689368 PIOXXSHQADFHFQ-ULQDDVLXSA-N 283.500 4.919 30 10 CJEE C=CCC[C@@H](C)NCc1ccc(Cl)c(Cl)c1C 2301019902 RLHHAFZGUBDHFO-SNVBAGLBSA-N 272.219 4.746 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1C[C@@H]2CC[C@H]1C2 2312624040 NONXHMXWBQWGCH-NCOADZHNSA-N 251.458 4.904 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1c(F)cccc1Cl 2313531088 FIUHSZMTWGVIBZ-NSHDSACASA-N 267.775 4.651 30 10 CJEE C=CC[C@H](C)S[C@@H]1C[C@@H](CCC)CC[C@H]1NCC 2313653700 BXYNOZXEYQJQHE-CAOSSQGBSA-N 269.498 4.631 30 10 CJEE C=C[C@@H](CCCCC)O[C@@](C)(O)CCCC(C)C 2315955031 YWRCXUXIHJJMBO-JKSUJKDBSA-N 256.430 4.673 30 10 CJEE CCCCCCCCC[C@@H](O)C#Cc1cccs1 2316422562 ZGWONNJCOONILS-OAHLLOKOSA-N 264.434 4.601 30 10 CJEE C#CCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2316941947 DTPLRUCEBLQZAP-CQSZACIVSA-N 284.230 4.756 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C1(Cl)CCCC1 2318323164 RKEVNBLOIQZGQR-JTQLQIEISA-N 283.202 4.564 30 10 CJEE C=C1C[C@H]1[C@@H](NCCC)c1ccc2ccsc2c1 2319254274 BDLQAUNWYSAOHI-ZBFHGGJFSA-N 257.402 4.518 30 10 CJEE C=CCCCCCCC(=O)c1ccc(COC)s1 2319399680 XGEGNDPUBHQEMY-UHFFFAOYSA-N 266.406 4.604 30 10 CJEE C=CCC(C)(C)[C@H](CC[C@@H]1C[C@@H]1CC)NCCC 2321096821 VNUPZNSPHWYXBV-XHSDSOJGSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC[C@@H]1C[C@H]1CC)NCC 2321100747 DPPOMBYHMLICLD-VQHPVUNQSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1[C@@H](C)[C@@H]1CC 2321126425 ALETXAXBOBQAHE-SIRPWMCASA-N 251.458 4.639 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@@H]2CC[C@H]1O2 2328615590 AKIVHJGMUMASBH-ZMSDIMECSA-N 266.425 4.654 30 10 CJEE C=CCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1[C@H]1C[C@@H]21 2333365891 YRQQQIOCGRSTBL-ATIWLJMLSA-N 261.453 4.667 30 10 CJEE C=CCC(CC=C)S[C@H](C)[C@@H](NC)c1ccccc1 2335101515 VQCAHFKKDJJRTD-RHSMWYFYSA-N 275.461 4.590 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCC2(CC2)[C@H]1NCC 2335191930 SUYULJVLPBNKFV-HOTGVXAUSA-N 279.493 4.551 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NC1CCC2(CCCC2)CC1 2337111614 NQRQVQKXBHAWJC-RDJZCZTQSA-N 261.453 4.824 30 10 CJEE C=CCC(CC=C)C(=O)C1(C)CC2(CC(F)(F)C2)C1 2338664687 DCPLVTSKKMYQNI-UHFFFAOYSA-N 268.347 4.540 30 10 CJEE C=CCC(CC=C)[C@]1(CNCC(C)C)CC=CCC1 2338729608 HYIOQUDDUKSIBG-GOSISDBHSA-N 261.453 4.727 30 10 CJEE C=CCC[C@@H](C[C@H]1C[C@H]2CCC[C@H]1CC2)NCCC 2339080630 SUAIWGAINQHPCT-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE COc1cc(C(=O)C2=CC[C@@H](C(C)C)CC2)sc1Cl 2340278298 WNIIUHICNYPXOZ-SNVBAGLBSA-N 298.835 4.975 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1COc1cc(Cl)ccc1C#N 2343154836 ZJYGOVYCVZVVLZ-GXTWGEPZSA-N 277.795 4.663 30 10 CJEE C[C@@H]1CC(C#N)(C[C@@H]2CC[C@H]2C(C)(C)C)C[C@@H](C)O1 2343373850 JPLXVXCWXHZHOI-APIJFGDWSA-N 263.425 4.546 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CC1CC(C)(F)C1)NCCC 2344336007 FPHHHPALRFBYNO-GMRIPVOYSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(C2CCC2)cc1 2344386008 SZKNHPAGRKLBHD-ROUUACIJSA-N 257.421 4.946 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@H]2CCC[C@H]2OC(C)C)C1 2344874987 RCIHOISFJUXZCI-TWMKSMIVSA-N 263.425 4.690 30 10 CJEE C=CCCS[C@@]1(C(=O)O)CCCCC12CCCCC2 2352022718 RMUNJYCEUJNRBB-MRXNPFEDSA-N 282.449 4.644 30 10 CJEE CCN(C[C@@](C)(CS)C(C)(C)C)c1ccccc1F 2352085621 VZQKVTIJTARDRA-INIZCTEOSA-N 283.456 4.634 30 10 CJEE CSc1cc(NCC2CCCCCC2)ccc1C#N 2353826571 HHCRNKLFZBKNML-UHFFFAOYSA-N 274.433 4.662 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2357480120 BMPOJAUXDNIVJY-LTFXXXRZSA-N 275.480 4.621 30 10 CJEE CCCC#CC[C@@H](NCCC)[C@@H]1C[C@H]1C1CCCCC1 2358137036 ADKCRDBQZYPUOF-IPMKNSEASA-N 275.480 4.765 30 10 CJEE CCCCCC#CC[C@@H](C[C@@H]1C[C@H]1C(F)(F)F)NCC 2358137626 TUZKEGKVKLQSGQ-QLFBSQMISA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@@H](O)[C@H](C[C@@H]1C[C@@H]1C)NCCC 2358323858 ZHKJAHCXUVVULF-XLAORIBOSA-N 283.500 4.512 30 10 CJEE CCCCN(c1ccccc1)[C@H](C#N)c1ccccc1 5309145 DOMVEENIFGOMAU-GOSISDBHSA-N 264.372 4.558 30 10 CJEE Cc1ccc([N+](=O)[O-])cc1/N=C/c1cccc2ccccc12 32272581 DTKADQWLQNGKKZ-XDHOZWIPSA-N 290.322 4.807 30 10 CJEE CC[C@@H](C)c1ccc(NCc2ccc(C#N)cc2)cc1 35018706 UUKPDEAQWPRENG-CQSZACIVSA-N 264.372 4.684 30 10 CJEE CCCc1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 36138770 FPIWDCGTSYJQHX-CYBMUJFWSA-N 282.362 4.823 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2cccs2)C1 37156186 GVSPLSIULUKKDQ-QJPTWQEYSA-N 251.420 4.559 30 10 CJEE CCCCCCCO[C@@H](C(C)C)[C@@H](N)c1ccccc1 59083352 BQYWJLYLJOULLF-ROUUACIJSA-N 277.452 4.698 30 10 CJEE CCCCCCCOc1ccc(C#N)c(C(F)(F)F)c1 59203709 HNSNJDZFIKCCCR-UHFFFAOYSA-N 285.309 4.926 30 10 CJEE CCCCCCCCCOc1ccc(Cl)cc1CO 59208088 PPBRTDQEZAXDJF-UHFFFAOYSA-N 284.827 4.962 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)CCC2CCCCC2)cc1C 61681982 DUVVDZUQKUYTST-GOSISDBHSA-N 283.415 4.840 30 10 CJEE N#Cc1cc(Nc2ccc(Cl)cc2)nc2ccccc12 68771965 XSUIXUPGQGNPDK-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE N#Cc1cc2ccccc2nc1Sc1ccccc1Cl 71390664 SCVXDHDEVXNDOJ-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CC(C)c1nc(Cc2cccc(Cl)c2)sc1CC#N 82429764 XHCFJGXSHBBTCU-UHFFFAOYSA-N 290.819 4.577 30 10 CJEE Cc1ccc(OC(C)C)c(C(=O)/C=C/c2ccc(F)cc2)c1 83205128 BNQIZGILBCDJIW-JXMROGBWSA-N 298.357 4.817 30 10 CJEE CC(C)[C@H]1CCC[C@@H](Nc2ccccc2C#N)CC1 86922565 BUADUVFOSKOWTJ-GOEBONIOSA-N 256.393 4.575 30 10 CJEE CCC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)CC1 86922680 PLKQTCNVHZICSR-GDBMZVCRSA-N 256.393 4.719 30 10 CJEE CCCCCCCCCCCC[C@@H](O)CNCCC 91465909 BUFDXYXYKYVZLR-QGZVFWFLSA-N 271.489 4.658 30 10 CJEE C=C(C)C[C@@H](NCCC)c1cccc(C(F)(F)F)c1F 94601411 DSMSIXCCKSVXQM-CYBMUJFWSA-N 289.316 4.851 30 10 CJEE C[C@H](CC(=O)Nc1cc(C#N)ccc1Cl)CC(C)(C)C 94820471 DOWOLXOKVCYHJZ-LLVKDONJSA-N 292.810 4.613 30 10 CJEE C=C(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC 97209266 WXUKQUQQCUYTHI-OAGGEKHMSA-N 251.458 4.783 30 10 CJEE COc1ccc(/C=N\Cc2ccc(Cl)cc2)cc1Cl 100293223 WSBOLRRDZFJQHB-ZDLGFXPLSA-N 294.181 4.621 30 10 CJEE CCCCCCCCOCc1cccnc1Cl 103589082 CXAHIKFJBLJPIC-UHFFFAOYSA-N 255.789 4.612 30 10 CJEE Cc1ccc(C(C)(C)C)c(Oc2ccc(/C=N/O)cc2)c1 103874855 LNWWJIVJALIJPL-XDHOZWIPSA-N 283.371 4.893 30 10 CJEE Cc1cc(Oc2ccccc2)ccc1CCCS 107617304 RDVHYKGWYNVBEC-UHFFFAOYSA-N 258.386 4.650 30 10 CJEE C#CC[C@@H](CCC)c1cc(Cl)cc(Cl)c1OC 107655023 KGOCGOGGVZCSFK-JTQLQIEISA-N 271.187 4.909 30 10 CJEE CCCCCCC[C@@H](O)c1cc(C)ccc1OCC 109791733 SSYOOKGENGCHRN-MRXNPFEDSA-N 264.409 4.788 30 10 CJEE Cc1c(F)cccc1Nc1ccc(C(F)(F)F)cc1C#N 110256945 YIOPYVQOHIPKGK-UHFFFAOYSA-N 294.251 4.768 30 10 CJEE CCC[C@H](CC)Nc1ccc(C(F)(F)F)cc1C#N 110257830 UICSPGFMTNPZHA-LBPRGKRZSA-N 270.298 4.568 30 10 CJEE CC(C)(C)c1ccc(Sc2ccc(N)cc2C#N)cc1 110346678 SKJWTJOXXOCJAV-UHFFFAOYSA-N 282.412 4.589 30 10 CJEE CCC[C@@H](Nc1ccc(F)cc1C#N)c1cccs1 111026738 LWWCKTNRUYDHHK-CQSZACIVSA-N 274.364 4.712 30 10 CJEE CCCCCCCCCCNCc1ccc(C)o1 113013491 BRXLFAAKOVLYBP-UHFFFAOYSA-N 251.414 4.818 30 10 CJEE CCCCCCCCCCN1C[C@@H](C)NCC12CCCC2 114057574 PSZOKPCHNBNTCU-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCN1CC(C)(C)NC[C@H]1[C@@H](C)CC 114060689 FHGDJZPTFLGEDF-ROUUACIJSA-N 296.543 4.836 30 10 CJEE CCCCCCCCCC(=O)Nc1c(C)ccc(N)c1C 115854506 OZHKJWSBGDDMGZ-UHFFFAOYSA-N 290.451 4.965 30 10 CJEE CCCCCCC[C@@H](C(=O)O)c1cccc(Cl)c1 118853290 JWZQCLGEAZPGQR-CQSZACIVSA-N 268.784 4.869 30 10 CJEE CCCCCCC[C@H](Cc1cccc(Cl)c1F)NC 123951089 FFRGNLOFINFGLH-CQSZACIVSA-N 285.834 4.970 30 10 CJEE CCCCCCC[C@@H](NCC)[C@@H]1COc2ccccc21 124906979 ZUYLUYKNDJOPNF-IAGOWNOFSA-N 275.436 4.501 30 10 CJEE CC1(C)CCC(Oc2ccc(C(F)(F)F)cc2C#N)CC1 125273550 BAIAMEFZUSGKIE-UHFFFAOYSA-N 297.320 4.925 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(Cl)cc1OC 125725099 WFSMOFXNFVCYRA-HNNXBMFYSA-N 281.827 4.746 30 10 CJEE CCCCCCCOc1cc(CNCCC)c(Cl)cn1 132502533 DSLXDWXIAQHFAG-UHFFFAOYSA-N 298.858 4.584 30 10 CJEE C=C(CN[C@@H](c1cccs1)C(C)C)c1ccccc1 134361873 OZQRPJXRPKLTPO-QGZVFWFLSA-N 271.429 4.748 30 10 CJEE O=C1CCCC/C1=C/c1c(Cl)cccc1Cl 144710079 ILUQHQFHAWAOSB-HJWRWDBZSA-N 255.144 4.520 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@@H]1CCCC1=O 149811086 CEMJZUVFIPKVQF-IRXDYDNUSA-N 279.468 4.571 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@@H]1CCCCO1 157907626 IALNXLWFUFZIKG-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=C(C)CC[C@H](NCC)C12CC3CC(CC(C3)C1)C2 159192146 YPXPVKVHVYZOJR-LESVLKBLSA-N 261.453 4.537 30 10 CJEE CCCCCC[C@@H]1CC[C@H](B2OC(C)(C)C(C)(C)O2)S1 216645215 XCUIWQWJGSRYIU-ZIAGYGMSSA-N 298.301 4.852 30 10 CJEE C/C(CCc1ccc(O[C@@H](C)c2ccccc2)cc1)=N/O 216968030 BZUMPTLFFVTKHQ-NOMGLIDZSA-N 283.371 4.609 30 10 CJEE CCC[C@H](Nc1cc(F)cc(C#N)c1)c1cccs1 227611709 QUMBHTBXTQRFCW-AWEZNQCLSA-N 274.364 4.712 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1CCO[C@@H]1CC 232959009 WYVGEYIRVAYFLF-IXDOHACOSA-N 269.473 4.530 30 10 CJEE O=C(C1=CCCCCCC1)c1sccc1Cl 236050037 WMXRRTIBOUJJER-UHFFFAOYSA-N 254.782 4.865 30 10 CJEE C=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNC1CC1 250516454 HENCOHNYHOVSCV-XHSDSOJGSA-N 263.469 4.783 30 10 CJEE C[C@H](C#N)c1cc2c(C(F)(F)F)cccc2s1 260123679 SUVQPDWXZMXAHH-SSDOTTSWSA-N 255.264 4.547 30 10 CJEE CCc1ccc(C(C)C)c(C(C)(C)CC#N)c1OC 260394946 DUKTVCVPDSEITJ-UHFFFAOYSA-N 259.393 4.572 30 10 CJEE CCC(CC)N(CC(C)C)c1ccc(C#N)cc1C 311249969 RSVDNQUGFDFFRM-UHFFFAOYSA-N 258.409 4.518 30 10 CJEE CC[C@@H]1CC[C@](C#N)(c2cc(C)c3ccccc3n2)C1 312661546 MIEHFOLXVLJZCC-KDOFPFPSSA-N 264.372 4.515 30 10 CJEE CCCCCCCCNCC[C@H](CCC)CCC(=O)O 313006758 NSMZUFZGXVKKAV-MRXNPFEDSA-N 285.472 4.608 30 10 CJEE CC(C)[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)CC1 313437883 OLSTTYDDWCLLOL-IRXDYDNUSA-N 270.420 4.769 30 10 CJEE CCCCCCCC[C@]1(CNCC(C)C)CCCCO1 314885952 LFLKJOHGJNACQD-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCC1CCC(CC#CC(C)(C)C)(CNC)CC1 317321681 FKMVRGJMQIXIAR-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE C[C@H]1CCC[C@@](C=O)(CCSc2ccccc2)C1 317456019 UNFSEILCNUXFOA-GOEBONIOSA-N 262.418 4.564 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@H]2CC[C@H]1O2 318507944 NTLPOGCYKNYNJM-KZNAEPCWSA-N 281.484 4.530 30 10 CJEE CCSc1cccc(N[C@H](C2CCC2)C2CC2)c1C#N 324947974 ZVKVXDMCEVTUBC-QGZVFWFLSA-N 286.444 4.661 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@]2(CCC[C@H](C)C2)CS1 391221812 LISMXHUOHRBRMT-YOEHRIQHSA-N 296.524 4.700 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1nnc(C)s1 391791891 BOEJIPLHCRHUKS-ZDUSSCGKSA-N 283.485 4.638 30 10 CJEE C=CC[C@@H](CC)NC1CCC(c2ccccc2)CC1 393767073 DRAVBPFEDQNFBW-LXPRWKDFSA-N 257.421 4.657 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1nc2ccccc2s1 394961533 NQWYHVTVDAVNOE-MLGOLLRUSA-N 270.401 4.559 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCSc2c(F)cccc21 398205195 XUEUTPOSBSQSSS-SWLSCSKDSA-N 279.424 4.697 30 10 CJEE CCC[C@H](/N=C1/N[C@@](C)(C(C)C)CS1)c1cccs1 398564806 JKKXLCIUXIZDBV-SWLSCSKDSA-N 296.505 4.696 30 10 CJEE CCCCCCC[C@@](C)(CN)N(C)C[C@@H](C)C(C)(C)C 399418980 YVFDFPZMQSKSNS-AEFFLSMTSA-N 284.532 4.678 30 10 CJEE N#CCc1cccc(F)c1-c1c(Cl)cccc1Cl 514263444 LOHDTECFGKLXOC-UHFFFAOYSA-N 280.129 4.866 30 10 CJEE C=CCC1(C(=O)N(C)c2ccccc2C(C)C)CCC1 517623531 ANISWHSOAUOFFA-UHFFFAOYSA-N 271.404 4.519 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H]1C(C)(C)CC)c1ccccc1 536233977 SGUYHHKQTWPFHP-AEFFLSMTSA-N 299.458 4.774 30 10 CJEE C#CCCCCCC1(CNC2CC2)CCC(C)(C)CC1 686701618 WIHSXOHVUJROEJ-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE C#CCCCCCC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 686709248 QZRRNMNKHQDQTE-STQMWFEESA-N 274.326 4.508 30 10 CJEE CC1(C/N=C2/NC3(CCCCC3)CCS2)CCCCC1 687319661 BXGATRRIZHOUTO-UHFFFAOYSA-N 294.508 4.742 30 10 CJEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(C2CCC2)cc1 690112619 HEJQAJPQPVJIFM-FUHWJXTLSA-N 268.404 4.838 30 10 CJEE N#Cc1cc(N[C@H]2C=CCCCCC2)ccc1Cl 690181409 NKETZQXHCUZEEO-ZDUSSCGKSA-N 260.768 4.512 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1nccc2sccc12 692226303 DWEYIOXIUNYKLB-TZMCWYRMSA-N 272.417 4.843 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(CC)nc(Cl)c1C 692241815 LIMNCQCMAJAGSY-STQMWFEESA-N 293.842 4.548 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)CC(F)(F)F)NN 694700519 MKLSKVLZSVWHDB-CYBMUJFWSA-N 296.421 4.938 30 10 CJEE C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CC(C)(C)C1 695706374 XURSVQINQYVFJM-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE CCCCCCCCCC[C@H](O)c1cc(N)ccc1F 702321658 OQVLPQITYLZPPJ-KRWDZBQOSA-N 281.415 4.972 30 10 CJEE C=CCCC(C)(C)CNCc1csc2ccccc12 704047877 RYBXZJFUCGHFBR-UHFFFAOYSA-N 273.445 4.983 30 10 CJEE C=C([C@@H](NCCC)[C@H](C)CC(C)(C)C)C(F)(F)F 708257661 ZBVVUFPWWIHNBN-PWSUYJOCSA-N 265.363 4.545 30 10 CJEE C=C(Cl)C[C@H](NCCC)C1CCC(C)(C)CC1 710547461 JDNRXTBADOMYOI-AWEZNQCLSA-N 257.849 4.714 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cccc(Cl)c1C 715703244 GGMKANNXTMBOKG-ABAIWWIYSA-N 251.801 4.511 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1csc(C(C)C)n1 715706138 QFRMNMFCZGNHRJ-GXTWGEPZSA-N 266.454 4.519 30 10 CJEE C=CC[C@H](C)[C@H](NCC)c1ccc2sccc2c1 715718713 GULPOJDNSQNCMR-LRDDRELGSA-N 259.418 4.764 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(F)c1 715767779 DYSXEUUBTHZNIQ-IAQYHMDHSA-N 269.791 4.732 30 10 CJEE C[C@@H]1CCC(C)(C)C[C@@H]1NCc1ccc(C#N)cc1Cl 717553191 HFOCVRMDAFHOJM-WBMJQRKESA-N 290.838 4.516 30 10 CJEE CCCCCCCCCC[C@@]1(CNC)C[C@@H](C)CO1 718522624 VICPVPQUQNLFHX-SJORKVTESA-N 269.473 4.532 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@H](CC)CC(F)(F)F)CC1 724561013 VFMLBZRVTJRDST-KBPBESRZSA-N 277.374 4.690 30 10 CJEE CCCCCCCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 743803490 MBBUXUBFSYGXRF-JKSUJKDBSA-N 291.435 4.940 30 10 CJEE CC(C)O/N=C(/c1ccc(-c2ccccc2)cc1)C1CC1 821230089 YOJQRDKHDCFXLJ-VXPUYCOJSA-N 279.383 4.893 30 10 CJEE C=CCCCCC[C@H](C)Nc1ccc2c(c1)COC(=O)N2 862481251 DSSAVUJICQPBKY-ZDUSSCGKSA-N 288.391 4.686 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc(CCCC)cc1)C(C)C 1124571532 GWQJLKXXMQFDMG-IBGZPJMESA-N 287.447 4.809 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC[C@H](c2ccc(C)cc2)C1(C)C 1133029656 YHYULISFLUODAG-SJLPKXTDSA-N 299.458 4.692 30 10 CJEE N#Cc1csc(CN[C@@H]2CCCC3(CCCCC3)C2)c1 1173346015 XWCSGYAIVRENEP-OAHLLOKOSA-N 288.460 4.602 30 10 CJEE C#CCCCCCCNc1ccc(OCCC)c(F)c1 1183170145 JGQFWWAMZOASLM-UHFFFAOYSA-N 277.383 4.610 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1cccc(OC(F)F)c1 1196057225 PLHRBACKOGYUHJ-ZBFHGGJFSA-N 295.373 4.513 30 10 CJEE C=CCCc1ccccc1NC(=O)N[C@H]1CC12CCCCC2 1216883978 JIJZWLULQKYJDV-KRWDZBQOSA-N 298.430 4.650 30 10 CJEE C=CCCCC(=O)NCC(C)(C)CCCc1ccccc1 1265236429 PBIPTVZTLYFVFQ-UHFFFAOYSA-N 287.447 4.508 30 10 CJEE C=CC1(CC(=O)NCc2ccc3occc3c2)CCCCC1 1278638609 FAEHVYLCAXOEDO-UHFFFAOYSA-N 297.398 4.576 30 10 CJEE CC1(C)CCC(C)(CNc2ccc(Cl)c(C#N)n2)CC1 1307139374 CCRKRKPJBRODLY-UHFFFAOYSA-N 291.826 4.625 30 10 CJEE C=C1CCC(CNc2nc3cc(C)ccc3s2)CC1 1307204411 NYLALRAFZAKGNR-UHFFFAOYSA-N 272.417 4.763 30 10 CJEE C=CC[C@@H]1CCN1[C@H](C)c1ccc(Cl)cc1Cl 1308141997 RLXMSUUHUVBVKF-ZYHUDNBSSA-N 270.203 4.705 30 10 CJEE C=CCCCNCc1ccc(Oc2ccc(OC)cc2)cc1 1308393310 PFLIPRQVBXNFEI-UHFFFAOYSA-N 297.398 4.543 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(F)cc2Cl)C1 1308783448 WJZBBVXGJYLJOR-OUCADQQQSA-N 281.802 4.875 30 10 CJEE C=CC(C)(C)CC(=O)N(C)c1ccc(-c2ccccc2)cc1 1435341580 NDYNGAFAZOXXSC-UHFFFAOYSA-N 293.410 4.919 30 10 CJEE C=C(C)C(C)(C)C(=O)NC1CCC(C)(c2ccccc2)CC1 1435526798 ZJRGTGGSFODGPV-UHFFFAOYSA-N 299.458 4.605 30 10 CJEE C=CCC[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1 1458137837 YEWJLLFFLIZGMB-WMZOPIPTSA-N 283.415 4.557 30 10 CJEE C=CC(C)(C)NC(=O)[C@H]1CC12CCC(C(C)(C)CC)CC2 1463303558 NJCYIXATVRSQDD-XAUUPUKJSA-N 291.479 4.700 30 10 CJEE C=CCC1(NC(=O)N[C@H]2CCCC(C)(C)C2)CCCCC1 1469822267 KVIYHSRNNMKUMQ-HNNXBMFYSA-N 292.467 4.533 30 10 CJEE C=CCN(C[C@H]1CCC[C@@H](c2ccccc2)O1)C(C)(C)C 1473651653 PTJNSKHVZCXGGR-MSOLQXFVSA-N 287.447 4.583 30 10 CJEE C=C(Cl)CN1c2ccccc2CC[C@H]1Cc1ccccc1 1473870218 IUTVWBGQZIQDKP-SFHVURJKSA-N 297.829 4.803 30 10 CJEE C=CCCC1(CNCc2cccc(C)c2C)CCCC1 1474207821 HACICUJKZZZZOZ-UHFFFAOYSA-N 271.448 4.920 30 10 CJEE C#CCCCCCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 1474393141 JQAOHZLGPRYDJA-FQEVSTJZSA-N 299.433 4.935 30 10 CJEE C=CCCC[C@H](C)NC(=O)C(CC(C)C)CC(C)C 1526895893 OKWHNCCBYPZNQL-HNNXBMFYSA-N 267.457 4.556 30 10 CJEE C=C[C@@H](CC)CC(=O)O[C@H](CC)c1ccc(F)c(C)c1 1528082610 DJRLHCMMEVGSRA-XJKSGUPXSA-N 278.367 4.731 30 10 CJEE C=CCC(CC=C)C(=O)NC(C)(C)c1ccc(C(C)C)cc1 1532347155 ZJPUWCZTXBMUFK-UHFFFAOYSA-N 299.458 4.930 30 10 CJEE C=CC(C)(C)C(=O)Nc1cccc(Sc2ccccc2)c1 1533178092 MRSJJGIKOSQELC-UHFFFAOYSA-N 297.423 4.989 30 10 CJEE C=CC1(CC(=O)N(C)c2ccc(C)cc2C)CCCCC1 1534439483 DGCBFNIYXMYCIT-UHFFFAOYSA-N 285.431 4.793 30 10 CJEE C=C[C@H](CC)CC(=O)NCc1ccc(C(C)(C)CC)cc1 1534471738 QLVIEZYTFNTVDW-OAHLLOKOSA-N 287.447 4.593 30 10 CJEE C#C[C@H](NCc1sc2c(Cl)cccc2c1C)C(C)C 1560819534 UJHQVVCRWXXWCK-AWEZNQCLSA-N 291.847 4.611 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)CCCCC 1586139238 AEUZEFSOOLVUJQ-BRWVUGGUSA-N 279.468 4.844 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CCC)CC(C)C 1586140587 ZAOYADBWZFETBH-IKGGRYGDSA-N 279.468 4.700 30 10 CJEE FC(F)(F)Oc1ccc(C#Cc2ccccc2Cl)cc1 1614730494 BMEMGIDOWOAIGU-UHFFFAOYSA-N 296.675 4.638 30 10 CJEE C=C(C)[C@@H](NCCC(C)(C)C)c1ccc(F)c(F)c1 1617339662 ZNDLBGXQDNPSGK-OAHLLOKOSA-N 267.363 4.608 30 10 CJEE C=CCCCCN[C@H]1CCC[C@@H]1c1ccccc1Cl 1621269883 IHXUTWJKTNIOEG-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C=CCCCCCCNC(=O)Nc1ccc(CCC)cc1 1622768437 WBWHHLBZMWRSGR-UHFFFAOYSA-N 288.435 4.897 30 10 CJEE C=CC(C)(C)CC(=O)Nc1cccc(COC(C)(C)C)c1 1627078288 NHVWTELCIGJBAW-UHFFFAOYSA-N 289.419 4.543 30 10 CJEE C=CCCCN[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1648123383 HOZDZSCUCZGSNX-ZWKOTPCHSA-N 271.448 4.905 30 10 CJEE C=CCC[C@H](CCC)NCCc1c[nH]c2cc(C)ccc12 1652237979 ATYVLAWFYLYODW-KRWDZBQOSA-N 284.447 4.743 30 10 CJEE C#CCC1(NCCCCCOc2ccccc2)CCCCC1 1653149692 NFHHKMXXZWXDCW-UHFFFAOYSA-N 299.458 4.552 30 10 CJEE C#CCCCCCCN[C@H](CC)c1cc(F)ccc1F 1653927718 ASWRVHUQIVVQGR-QGZVFWFLSA-N 279.374 4.589 30 10 CJEE C=CC[C@@H](Cc1ccccc1)NCc1ccc(C)cc1C 1656430198 PQMMXOTXISIING-FQEVSTJZSA-N 279.427 4.580 30 10 CJEE C=CC[C@@H]1CC[C@H](NC[C@H](c2ccccc2)C2CC2)C1 1657438165 GPAANMRWXACFJP-AYOQOUSVSA-N 269.432 4.515 30 10 CJEE C=CCC[C@H](CC)N[C@@H](CC)CCc1ccccc1 1658559302 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C=C1CC([C@H](CC2CC3(C2)CC2(CCC2)C3)NCC)C1 2204036766 PRFMYYYANKRQLI-KRWDZBQOSA-N 273.464 4.681 30 10 CJEE CCC1CC(CCN=C2NC[C@@H](CC(C)(C)C)CS2)C1 2205713622 NSKWCDXYIXVGDT-YMAMQOFZSA-N 296.524 4.558 30 10 CJEE C=CCCCCCC[C@H](NCCC)c1ccc(C)nc1 2206886010 OZBJJJMVYYWGLT-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCC[C@@H](N)[C@@](C)(O)C(C(C)C)C(C)C 2206893540 AYPFZTBDRIWZKG-SJLPKXTDSA-N 283.500 4.520 30 10 CJEE C=CCCCCCCN1CCCC[C@H]1[C@@H]1CCCCO1 2206896726 HOHKWJGKZZJTMR-ROUUACIJSA-N 279.468 4.547 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@H](O)c1ccsc1 2206902061 GYUUENCCKVCTCK-SJORKVTESA-N 295.492 4.676 30 10 CJEE C=CCCCCCC[C@@]1(CN)CCCc2ccccc21 2206902465 KLNISAPLNUMVJM-IBGZPJMESA-N 271.448 4.746 30 10 CJEE C=CCCCCCC[C@]1(CN)CCCc2ccccc21 2206902466 KLNISAPLNUMVJM-LJQANCHMSA-N 271.448 4.746 30 10 CJEE C=CCCCCCCCCCN(C)Cc1ccccn1 2207377073 ZLEOVGBOJJBSRO-UHFFFAOYSA-N 274.452 4.820 30 10 CJEE C=CCCCCCCCCCN(C)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2207381233 GXUCBYHVQUJKFB-UJWQCDCRSA-N 275.480 4.879 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@H]1CCCCO1 2207402227 AKAZPLKAMZWXCM-QZTJIDSGSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@H](O)CCC1(N)CCCC1 2207413378 ZRPHSVNMQQQBMV-QGZVFWFLSA-N 281.484 4.706 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@H](O)[C@H](C)CC(C)C 2207437482 QNMRJLLUBSDIJN-FGTMMUONSA-N 283.500 4.664 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@@]1(C)CCCS1 2207438404 PZCLWJGWXOCKLC-IAGOWNOFSA-N 298.540 4.801 30 10 CJEE CCCCCCCC[C@H](O)C(=O)c1ccc(Cl)cc1C 2207443465 AKVFOIUWXVRGMM-INIZCTEOSA-N 296.838 4.943 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)[C@H](C)C(C)(C)CC 2207451577 YBRSSNIVJPHEHT-SJORKVTESA-N 284.532 4.821 30 10 CJEE CCCN[C@](C#N)(CSC1CCCCC1)C[C@H](C)CC 2207595011 LLTIZRFAVFTCRB-NVXWUHKLSA-N 296.524 4.750 30 10 CJEE CCCC#C[C@@H](NCCC)c1cc(C)c(Cl)s1 2213352710 JURDQUYERSHUJL-GFCCVEGCSA-N 269.841 4.554 30 10 CJEE CCCCCCCCC[S@@](=N)(=O)CCCC1CC1 2220010197 GDWNJJABTCJHLM-GOSISDBHSA-N 273.486 4.974 30 10 CJEE C=CCCCCCCCNCC(C)(C)C1CCC1 2220081155 CJQBLXMAECWXMA-UHFFFAOYSA-N 251.458 4.929 30 10 CJEE 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CJEE C=C[C@H](C)C[C@H](O)c1cccc(-c2ccccc2)c1 2269827607 IFVDWMIDZFUDOO-KSSFIOAISA-N 252.357 4.599 30 10 CJEE C=CCCCCCCN(C)C[C@H]1CCC[C@@H]1C(F)F 2270043963 NANZSBWPCAEUSB-CABCVRRESA-N 273.411 4.736 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@H]1C[C@]1(C)C(F)F 2271782279 WIJBHUPIPADZAA-YCPHGPKFSA-N 273.411 4.782 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCC)CCC(F)(F)C1 2271835558 VQFLKUSKYUHYDB-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE C=C1CCC(C[C@H](NC)[C@@]23CCCC[C@H]2CC3)CC1 2273302173 OFPMIBDAFNXMOY-OKZBNKHCSA-N 261.453 4.681 30 10 CJEE CCCCCCC[C@](C)(CC=C(C)C)OCC(=O)O 2275443181 ZPSYHBMDDNQRCP-MRXNPFEDSA-N 270.413 4.563 30 10 CJEE CCCCCCC[C@H](CC(C)(C)C)OCCC(=O)O 2275533928 YVPKOZOAZMRVOK-CQSZACIVSA-N 272.429 4.643 30 10 CJEE C=C([C@@H](CCCCCCC)OCCCN)C(C)(C)C 2276572222 JYPUJXMPYDLEKH-MRXNPFEDSA-N 269.473 4.683 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccsc1C#N 2277464394 YOPYBZJBFRBOHB-YUELXQCFSA-N 277.433 4.597 30 10 CJEE CCCCCCS[C@H]1CCC[C@@](C#N)(NC(C)C)C1 2278317105 FWSLGRCRYLTAHH-JKSUJKDBSA-N 282.497 4.503 30 10 CJEE CCCCCCC[C@@H](NN)c1ccc2ccsc2c1 2278426578 FLLWMIIHOFRNCI-OAHLLOKOSA-N 276.449 4.766 30 10 CJEE CCCc1ccc(CC2(C=O)CCC(C)(C)CC2)cc1 2283543146 LQMPBHLCNJTXRW-UHFFFAOYSA-N 272.432 4.967 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H]1C[C@]1(C)COC 2284706105 CVODAANQVNZLRS-SJLPKXTDSA-N 280.452 4.925 30 10 CJEE CCC[C@@]1(C)CSC(=Nc2cccc(C(C)(C)C)c2)N1 2285742065 FTEUDAIBVFMXGJ-KRWDZBQOSA-N 290.476 4.867 30 10 CJEE C=CCCCCCCCSC[C@@](C#N)(NCC)C1CC1 2287096155 HWKNGQDKAXTPBO-QGZVFWFLSA-N 294.508 4.528 30 10 CJEE C=C(C)CCCCC(=O)[C@@H]1[C@H]2CCc3ccccc3[C@H]21 2287379743 QHVSREZXONYZKW-UHOSZYNNSA-N 268.400 4.668 30 10 CJEE C=C(C)CCCCOc1ccc(CNC(C)(C)C)cc1 2287408219 GHIUJOABQBSIOO-UHFFFAOYSA-N 275.436 4.700 30 10 CJEE C=C(C)CCCCC(=O)[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C 2287469356 FOTIEUBACHOWKI-NUJGCVRESA-N 280.452 4.515 30 10 CJEE CC(C)CCC[C@@H](C)CCN(CC#N)CCC(F)(F)F 2287885917 QKKCHEASPMMDDV-CQSZACIVSA-N 292.389 4.617 30 10 CJEE CCCCCCCCn1cc([C@@H](NCC)C(C)C)cn1 2287901160 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CCCCCCCCC[C@H](C)N[C@@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]1[C@H]4[C@@H]32 2295681069 CQSPQTXKEYIEHT-XENOPVEXSA-N 275.480 4.616 30 10 CJEE CCc1nc(SCC=Cc2ccccc2)c(C#N)cc1C 2296645047 QLFNBCAYBDPQQN-UHFFFAOYSA-N 294.423 4.630 30 10 CJEE Cc1ccc(C(=O)C=COc2ccc3ccccc3c2)cc1 2297451433 IUUKOZXTAPCOST-UHFFFAOYSA-N 288.346 4.924 30 10 CJEE C[C@@H](CCSC[C@@](C)(CS)C(C)(C)C)C(F)F 2307233579 HVJHBQCLMYELHL-GXFFZTMASA-N 284.481 4.993 30 10 CJEE C#CCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2316946939 IKUDHMTVBVILBO-CQSZACIVSA-N 284.230 4.885 30 10 CJEE SCC1(CO[C@H]2CCCC3(CC3)C2)CCCCC1 2319055360 HSWGZZWUAMZMLE-AWEZNQCLSA-N 268.466 4.606 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)cc1SC 2319569469 ZTENVMRNMKDOQU-XJKSGUPXSA-N 263.450 4.580 30 10 CJEE C=CC[C@@](C)(CC)[C@H](C[C@H]1CC[C@H](C)CC1)NC 2321104125 DABKKUMJSSJQOK-LUKYLMHMSA-N 251.458 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CCCC1(C)CC1)NCC 2321140373 GZXVFOIHXKHRNS-NVXWUHKLSA-N 251.458 4.927 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(C(F)F)c1 2321144123 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C=CCC[C@H](C)N(C)Cc1cc(F)ccc1C(F)F 2337944742 VLPMSQRLDMOWQM-NSHDSACASA-N 271.326 4.550 30 10 CJEE COc1c(Cl)cc(C[C@@]2(C#N)CC[C@@H](C)C2)cc1Cl 2339972301 UJZANNXNLWAQBB-MEBBXXQBSA-N 298.213 4.874 30 10 CJEE CC1=CCC[C@@H](CCCCC(F)(F)C(F)(F)F)C1=O 2342333307 AEUCBIIIUJLRAT-SNVBAGLBSA-N 284.268 4.670 30 10 CJEE C=CC[C@@H](CCCCC(F)(F)C(F)(F)F)CNCC 2342333808 POYBVRMFUMOGQI-NSHDSACASA-N 287.316 4.546 30 10 CJEE C#CCCC[C@H](NCCC)c1ccc(C)cc1SC 2342382350 NODHNDPRCDZSPO-INIZCTEOSA-N 275.461 4.561 30 10 CJEE CN(CCCCCCCS)CC[C@H]1CC[C@@H]1C1CC1 2342392088 FOFJIYZPQSLNGP-IAGOWNOFSA-N 283.525 4.625 30 10 CJEE C=CC[C@H](C)NC[C@@H](c1ccccc1)C1CCCC1 2342470415 OHCYFWYOXFVTCZ-YJBOKZPZSA-N 257.421 4.515 30 10 CJEE CO[C@@H](CSC[C@@H](CS)C(C)(C)C)c1ccccc1 2343477201 AWBADHWANWGEKV-CABCVRRESA-N 298.517 4.699 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1ccc(C2(C)CC2)cc1 2344358903 WRJPATIKWRFABQ-MRXNPFEDSA-N 257.421 4.601 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)C1[C@H]2CCCCC[C@H]12 2344386339 VVWKHGQHKPBZJR-ONIAQPFYSA-N 263.469 4.783 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc2ccccc2c1 2344467473 MBXCOJGAXVGODV-ZWKOTPCHSA-N 254.373 4.866 30 10 CJEE CC1(C)CC[C@H](CC[C@@]2(C#N)CCCOC2(C)C)C1 2344864337 VXVWUDAMBCWMIE-RHSMWYFYSA-N 263.425 4.692 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H]1CCCC(F)(F)CC1 2352167687 GWMMMSAZULSFGL-OCCSQVGLSA-N 294.451 4.953 30 10 CJEE CCC[C@@H](CC)C[C@@]1(C=O)CCc2ccccc2C1 2353445320 AEGJHDWCLMUQQJ-QAPCUYQASA-N 258.405 4.577 30 10 CJEE CSc1cc(NCc2sc(C)cc2C)ccc1C#N 2353831142 HYIVNYYPQACGTB-UHFFFAOYSA-N 288.441 4.571 30 10 CJEE CCCCCCCCCC[C@H](NC)[C@H]1[C@@H]2CCCO[C@@H]21 2355555536 ZXNYYZALZJBSQB-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)S[C@H]1CCCc2ccccc2[C@@H]1N 2360336521 KXJAIXKEVPFNKS-ROUUACIJSA-N 287.472 4.645 30 10 CJEE N#C[C@H](NC1CCCCCC1)c1cc(Cl)cc(Cl)c1 37970351 WUVOEODGPYZVMI-HNNXBMFYSA-N 297.229 4.870 30 10 CJEE CCN[C@@](C)(C#N)CCCSc1ccc(C(C)C)cc1 45363791 RJFFYIJEBOHNRC-QGZVFWFLSA-N 290.476 4.574 30 10 CJEE CCCCCCC[C@@H](CN)N(CC)c1ccccc1C 59090922 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4.767 30 10 CJEE CCCC(CS)(CCC)CN(C)c1ccc(C#N)cc1 94579514 JYBMXLLYXUINFQ-UHFFFAOYSA-N 290.476 4.511 30 10 CJEE SCC1(COc2ccc(Cl)c3ccccc23)CCC1 94584866 QJBBMEYNPUUYGK-UHFFFAOYSA-N 292.831 4.972 30 10 CJEE C[C@H](CCS)CCSc1cc2ccccc2[nH]1 94631068 VAKRXULDSUXTTE-LLVKDONJSA-N 265.447 4.606 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCC(C)(C)CC2)C1 94859573 MWJOXRUDTHJBOM-HLLBOEOZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCc1ccc2c(c1)CCC(=O)C2 100039351 AVYJRIFMWLALPZ-UHFFFAOYSA-N 258.405 4.647 30 10 CJEE CCCC[C@H](CC)/C(=N\O)[C@H](O)[C@H](CC)CCCC 100050537 SLCANKHLTWZHRV-CCKWDPJVSA-N 271.445 4.610 30 10 CJEE Cc1ccc(N/C=C\C(=O)c2ccc(Cl)cc2)c(C)c1 104725132 HCYWSALOEJWFPG-KTKRTIGZSA-N 285.774 4.765 30 10 CJEE Cc1ccc(C(=O)/C=C/Nc2ccc(C)c(Cl)c2)cc1 105906131 JORHKRFQYRPHSV-MDZDMXLPSA-N 285.774 4.765 30 10 CJEE CCC#CCCc1ccc(OCc2ccccc2)cc1C 107616775 DCHOFBSWLFXXNP-UHFFFAOYSA-N 278.395 4.920 30 10 CJEE CCCCCCCN(CCC)C1(CN)CCC(C)CC1 110106668 ORORPWPAZMVVKS-UHFFFAOYSA-N 282.516 4.576 30 10 CJEE CCCCCCCCCN(CC)c1cccc(N)c1 110465721 SGZWUCYJTGCGIK-UHFFFAOYSA-N 262.441 4.846 30 10 CJEE CCCCCCCCC[C@H](O)c1cccc(OC)c1 112884904 JMXLTMWIBPJGTI-KRWDZBQOSA-N 264.409 4.869 30 10 CJEE CCCCCCCn1ccc2cc(CNCC)ccc21 112933229 RINPHKJGRZKRHI-UHFFFAOYSA-N 272.436 4.721 30 10 CJEE Cc1cc(Nc2c(C)cccc2Cl)ccc1C#N 133471036 DRDLYDLFMUZAPE-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE CCCCCCC[C@@H](O)CCCc1cccs1 135359917 KDFOEZQIYMQJDN-CQSZACIVSA-N 254.439 4.792 30 10 CJEE CCCCCCCSc1ccc(C)c(C(=O)O)c1 136235475 VGSYTOWAOBTGKE-UHFFFAOYSA-N 266.406 4.756 30 10 CJEE CCCCCCCCC[C@H](NCC)c1cnc(C)cn1 139514649 GVJWYWSOQBKPIM-INIZCTEOSA-N 277.456 4.576 30 10 CJEE CCCCCCC[C@@H](NC)c1cccc(OC(F)F)c1 158119933 GXSGZAWQHSMBDK-OAHLLOKOSA-N 285.378 4.909 30 10 CJEE C=CCCC[C@H](Cc1ccc(C(F)(F)F)cc1)NCC 167688102 VEMIZCKKRLIAIP-OAHLLOKOSA-N 285.353 4.582 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C)cc(Br)c1 167788286 QILHHTXULANRDO-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE C(=N/Cc1ccccc1)\C1(Sc2ccccc2)CC1 206008283 VBEMVDUKEGELJH-NBVRZTHBSA-N 267.397 4.582 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc3c(c2)CCC3)C1 222270094 GMOVLPWTRCQORI-VMGRFDJRSA-N 271.429 4.596 30 10 CJEE CCCCCCCCCCC(=O)[C@@]1(N)CCC[C@@H](C)C1 226464660 KHBPVBDMTSYVSR-SJLPKXTDSA-N 281.484 4.994 30 10 CJEE CC(C)C(CNc1ccc(Cl)cc1C#N)C(C)C 229567290 OUMDZKATYMYCQW-UHFFFAOYSA-N 264.800 4.552 30 10 CJEE CCCCCCCCCCCCO[C@@H]1CNCC[C@H]1C 230200059 JXBROPYTLGZVNR-QZTJIDSGSA-N 283.500 4.922 30 10 CJEE CCCCCCCCC[C@@H]1OCCC[C@H]1CNCC 232961390 OUUOVWWIRBJTJG-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE CCC[C@@H](C)[C@H](C#N)Sc1cccc(Br)c1 233282944 XISHRLZLIFPPNN-MFKMUULPSA-N 298.249 4.870 30 10 CJEE C[C@@H](Oc1cccc(Cl)c1)C(=O)C1=CCCCCCC1 235241689 COTCIFQAXVBKCE-CYBMUJFWSA-N 292.806 4.957 30 10 CJEE C=CCCCCC[C@@H](N)c1cc(C)cc(Br)c1 235762456 WAMUXYHIKHYMFM-OAHLLOKOSA-N 296.252 4.894 30 10 CJEE C=CC[C@@H]1CC[C@@H]2[C@@H](C)CCC[C@@H]2N1C(=O)OC(C)(C)C 238463544 WSKQKIUMMYRGCD-JJXSEGSLSA-N 293.451 4.767 30 10 CJEE CCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 249898144 VKMBENXEPOBBBO-SOUVJXGZSA-N 251.414 4.548 30 10 CJEE COc1c([C@@H](CC#N)C2CC2)cc(C)cc1C(C)(F)F 260243147 AVOLVPBYFWEWAK-LBPRGKRZSA-N 279.330 4.523 30 10 CJEE Cc1ccc(/C(O)=C\C=Nc2cccc(C)c2)cc1 263629588 CCKAJWYAJHKEMP-DBHUVCNSSA-N 251.329 4.605 30 10 CJEE CC[C@@H]1CC[C@](C#N)([C@@]2(O)CCC[C@H](CC(C)C)C2)C1 300329213 RXYVVQKFWSICHO-ZJPYXAASSA-N 277.452 4.674 30 10 CJEE CN[C@@H](CC#CC(C)(C)C)c1cc2sccc2s1 302269351 QXHNHBVCKPXIAZ-NSHDSACASA-N 277.458 4.663 30 10 CJEE CCCCCCC[C@@H](C)Nc1ccn(C(C)C)n1 305971332 KOLJCZGGAAMZAF-CQSZACIVSA-N 251.418 4.625 30 10 CJEE CCC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccccc1Cl 308053713 KBOMAMPBLRXAJF-HIFRSBDPSA-N 291.822 4.979 30 10 CJEE CCCCCC[C@@H](CC#CC(C)(C)C)NCCC 310684116 KWDRRCQMOZQPJY-INIZCTEOSA-N 251.458 4.765 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@@H](C)c1ccccc1 312248530 UWGZOWUQILBFMO-WMZOPIPTSA-N 271.448 4.598 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(N)cc1C(F)F 312378565 MUGYXIFNWKNPHM-UHFFFAOYSA-N 294.688 4.524 30 10 CJEE CCCC(CS)(CCC)CN1C[C@@H](C)CC1(C)C 380370783 BVDDTCPYMPBMJM-AWEZNQCLSA-N 271.514 4.623 30 10 CJEE CC(C)(C)C1CCC([C@@H]2CC[C@](C)(CC#N)O2)CC1 382236248 WPQKIWIIDGJKAR-UMPYDWHISA-N 263.425 4.690 30 10 CJEE Cc1csc2c(C3(C#N)CCCCCCC3)ncnc12 383669781 SUUNXDVGDCIQMM-UHFFFAOYSA-N 285.416 4.505 30 10 CJEE Cc1ccc(N=C2N[C@@H](C3CCCC3)CS2)c(Cl)c1 386395759 UQWQNVFLLBMXIJ-CQSZACIVSA-N 294.851 4.531 30 10 CJEE c1cc(N=C2NC3(CCCC3)CS2)c2sccc2c1 386655614 RIPOTBCUPKJFIA-UHFFFAOYSA-N 288.441 4.538 30 10 CJEE CCCCCCCCC(=O)c1ccncc1Br 395967951 ZLYKMDSKUWQTSS-UHFFFAOYSA-N 298.224 4.777 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccc2ccn(C(F)F)c2c1 617989661 OYQOHSSSZOISTM-LLVKDONJSA-N 292.329 4.577 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 686677673 JXGJGBKAJFZAJM-HNNXBMFYSA-N 284.230 4.838 30 10 CJEE C#CCCCCC[C@H]1CCCCC[C@H]1CNC1CC1 686691825 UWHJPJWLIRYXOE-IRXDYDNUSA-N 261.453 4.519 30 10 CJEE C#CCCCCC[C@H](CCc1ccccc1)NCCC 686696014 STTPHSCIGZQEEA-LJQANCHMSA-N 271.448 4.571 30 10 CJEE CC(C)[C@@H]1CCCCC[C@]1(C#N)Nc1ccccc1F 691085897 DSYMVDDDDOVDSJ-WMLDXEAASA-N 274.383 4.736 30 10 CJEE Cc1nc(CC2(C=O)CCC(C(C)(C)C)CC2)c(C)s1 691342491 GKTXODFDNSFDGB-UHFFFAOYSA-N 293.476 4.724 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2cscc2s1 694419654 RTJZQEABIVTQIG-GFCCVEGCSA-N 265.447 4.970 30 10 CJEE CCCCCCCC[C@@H](O)CC[C@H](CCN)C(C)(C)C 696298923 RFPJONJORSUBLX-IAGOWNOFSA-N 285.516 4.889 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC(C)(C)C 698397572 JUFZDWGFZBJRPE-SUMWQHHRSA-N 296.455 4.740 30 10 CJEE CC[C@H]1CCC[C@](C=O)(CCOC2CCCCC2)C1 701400241 XWVWSSZMWDAQCB-RDJZCZTQSA-N 266.425 4.511 30 10 CJEE CCCCCCCC[C@@]1(N)CCc2ccc(C)cc21 704449145 LSUHJIQPLBPXDX-GOSISDBHSA-N 259.437 4.846 30 10 CJEE C=C(Cl)C[C@H](NCCC)[C@H]1CCCC[C@H]1C(F)(F)F 710617959 VJWHTGRFIGTBAN-XQQFMLRXSA-N 297.792 4.866 30 10 CJEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Nc2cccc(C)c2Cl)C1 710739290 MMYDCPFTDZPGPL-FRFSOERESA-N 293.838 4.556 30 10 CJEE C=C(CC)C[C@H](C[C@@H]1CCCC1(F)F)NCCC 713949888 HBJGIUZSRHIVGL-UONOGXRCSA-N 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CCC1(C)CCC(N=C2NC3(CCCCC3)CS2)CC1 2171535912 XNUIBLCBSYTVON-UHFFFAOYSA-N 294.508 4.741 30 10 CJEE CCC1(CC)CCC(N=C2N[C@@H]3CCC[C@H]3CS2)CC1 2171539039 WYRKXQGOTZPREN-DZGCQCFKSA-N 294.508 4.597 30 10 CJEE CC[C@@H]1CCCCC[C@@]1(O)[C@]1(C#N)CCCCC1(C)C 2173640753 XVVHNTMVSRTKMA-NJAFHUGGSA-N 277.452 4.818 30 10 CJEE CC[C@H](C)CS[C@@H]1C[C@@H](CC)C[C@](C#N)(NC(C)C)C1 2175407366 AVPMTABFISNGIT-HZMVEIRTSA-N 296.524 4.605 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cccc(F)c2Cl)C1 2176160518 YIAAWVJNQKGOKV-GOEBONIOSA-N 295.785 4.623 30 10 CJEE CC1(C)CCCC[C@@]1(C=O)Cc1ccc2sncc2c1 2177218221 LTWVEYBTADTHHC-KRWDZBQOSA-N 287.428 4.624 30 10 CJEE C[C@@H]1C[C@@H](Oc2cc(Cl)c(C#N)cc2F)CC(C)(C)C1 2177390867 XDDBOHKRJITWHP-ZYHUDNBSSA-N 295.785 4.944 30 10 CJEE C#CCOc1ccc(N[C@H](C)CCCCCCC)cc1 2179321886 RQCHBQCXFFFULA-MRXNPFEDSA-N 273.420 4.860 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cccc3c2CCCC3)CC1 2181637700 GWWPSSIZBLATHW-CQSZACIVSA-N 268.400 4.885 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cnc3ccccc3c2)CC1 2181662157 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30 10 CJEE CCCCCCCCCCNc1snc(N)c1OCC 232932611 JVSFTMQSKYGYKY-UHFFFAOYSA-N 299.484 4.677 30 10 CJEE C=CCCCCC[C@@H](CCc1ccc(C)cc1)NC 234423094 AHTMXYYINKFULI-SFHVURJKSA-N 259.437 4.652 30 10 CJEE Cc1cc(C(F)(F)F)ccc1C(=O)C1=CCCCC1 235775724 ZVMNWJCIDOCTFY-UHFFFAOYSA-N 268.278 4.697 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1C[C@H]2CC[C@H]1O2 250794969 AKIVHJGMUMASBH-BFYDXBDKSA-N 266.425 4.654 30 10 CJEE CCC[C@H](C)N(C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 252405761 FGYOMLHLPMBQBU-LUKYLMHMSA-N 278.484 4.851 30 10 CJEE CCCCCCCC[C@@H](N)C[C@H]1C[C@H]2CC[C@H]1C2 253042408 METQABJBXZXELA-MWDXBVQZSA-N 251.458 4.891 30 10 CJEE C=CCCCCC[C@@H]1C[C@H](C)CC[C@H]1CNC1CC1 300255559 ARPXPGNVMHZYFR-ZACQAIPSSA-N 263.469 4.927 30 10 CJEE Cc1ccnc(Sc2cc(Cl)cc(Cl)c2)c1C#N 310890525 XWGIMDPXLUQIQF-UHFFFAOYSA-N 295.194 4.720 30 10 CJEE CCCCCCCCCCN1[C@H](CN)C[C@H](C)C[C@H]1C 312414686 XPDNDKVDFWXZGX-KURKYZTESA-N 282.516 4.575 30 10 CJEE N#Cc1cc(Cl)nc(N[C@H]2CCCCC23CCCC3)c1 312621295 VCYLJAMCJVFSIJ-ZDUSSCGKSA-N 289.810 4.522 30 10 CJEE C[C@](C#N)(NC1CCCCCC1)c1c(F)cccc1Cl 313664413 LYUYQVYPQKCVSE-MRXNPFEDSA-N 294.801 4.530 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](C)(O)CCC(C)(C)C)C1 381821169 NTSNERFNBIEKTC-HYVNUMGLSA-N 265.441 4.674 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cccc(C(F)(F)F)c1 385005631 MPUJDMYMPVJNRA-DOMZBBRYSA-N 281.321 4.968 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@@H](C)CCOC 386199697 FMDLVAWSXLMKOD-JKSUJKDBSA-N 258.446 4.551 30 10 CJEE N#CC1([C@H]2CCOC3(CCC3)C2)CCCCCCC1 388685115 RKGQENVUXQXQEO-HNNXBMFYSA-N 261.409 4.590 30 10 CJEE CCC1CCC(C#N)([C@H]2CC(C)(C)OC2(C)C)CC1 388910887 OMBOCKSBKNXVDU-UUCFBXCCSA-N 263.425 4.690 30 10 CJEE CCCCCCCCCCN[C@H](C)[C@@H]1CCCOC1 389007407 RRSZCMWPCIYPQJ-IAGOWNOFSA-N 269.473 4.532 30 10 CJEE C=CC[C@H](CC)NC1CCC(c2ccccc2)CC1 393767069 DRAVBPFEDQNFBW-ADKAHSJRSA-N 257.421 4.657 30 10 CJEE N#C[C@H](CSc1ccc2ccccc2n1)C1CCCC1 397186758 HUCRCZCINGPQON-OAHLLOKOSA-N 282.412 4.657 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@H](C)OCc1ccccc1 404388487 QXPWUCHCDFEPAZ-PKOBYXMFSA-N 289.463 4.706 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC1(C#N)CCCC1 405098486 CAQVTXUJUNIOSU-BZUAXINKSA-N 263.425 4.548 30 10 CJEE N#C[C@H]1CC=C(c2c[nH]c3cc(Cl)ccc23)CC1 527401181 DBNYGDJTVLHDFD-JTQLQIEISA-N 256.736 4.528 30 10 CJEE C=C(C)C[C@@H](C)c1nc([C@H](C)c2ccc(C)cc2)no1 571444966 PGNPIEPNRSAEPX-ZIAGYGMSSA-N 270.376 4.600 30 10 CJEE C#CCCCCCC1(CNCC)CCCCCCC1 686699728 MORITDQXANCQTI-UHFFFAOYSA-N 263.469 4.910 30 10 CJEE C#CCCCCC[C@H](NC)c1cc2sccc2s1 686700801 WOHAECDAWOXNEK-LBPRGKRZSA-N 277.458 4.807 30 10 CJEE Cc1nc(C2(C#N)CC(C)(C)CC(C)(C)C2)sc1C 688314952 HYJNIANTSJHHRU-UHFFFAOYSA-N 276.449 4.758 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1CCCSCC1 690326131 IGJVGFIZCQBIAN-HZPDHXFCSA-N 271.514 4.858 30 10 CJEE C[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCC(F)(F)CC1 690829731 LYZPNJSBBQAXQD-JTQLQIEISA-N 298.764 4.838 30 10 CJEE CCCCCCCC[C@H](O)C(C)(C)C(F)(F)F 690975314 PIUPMMZLPCCLKY-NSHDSACASA-N 254.336 4.686 30 10 CJEE Cc1cc(O[C@H](C)CC(C)(C)C#N)cc(C)c1Cl 695864745 ODEJDHGMIHHZTM-GFCCVEGCSA-N 265.784 4.664 30 10 CJEE C=C1C[C@H]2CC(Nc3ccccc3CC)C[C@@H](C1)C2 697304815 PRVGTTNURBZFEV-FKEKPDDDSA-N 255.405 4.796 30 10 CJEE C=CCCCCC[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C 699074357 GBUKPDDZZAMGBL-ZOBUZTSGSA-N 251.458 4.913 30 10 CJEE C[C@H](CC(C)(C)C)C[C@@]1(C=O)CCc2ccccc21 703826072 ZAMUUFIMDVQEHQ-RDTXWAMCSA-N 258.405 4.532 30 10 CJEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CCCC(C)C 703967579 BJBJFSRXVCAEOX-GJZGRUSLSA-N 296.455 4.740 30 10 CJEE C=CCCC(C)(C)CN[C@H]1CCC(C)(C)C[C@@H]1C 704038452 PBGLBUSDMXUDFF-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE CCCCCCCCC[C@H](N)Cc1nc(C)sc1C 707946463 ZETQKWHBNDTMSD-HNNXBMFYSA-N 282.497 4.770 30 10 CJEE C=CC[C@H](C)[C@@H](CC1CCCCCC1)NCCC 715762278 ZMEGPQFBTUCUMH-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C=CC[C@@H](C)[C@H](CC1CCCCCC1)NCCC 715762282 ZMEGPQFBTUCUMH-WBVHZDCISA-N 251.458 4.927 30 10 CJEE C=CC[C@H](C)Cc1ccc(C)c(Br)c1 715811316 BQBQSQFHUOEYHR-JTQLQIEISA-N 253.183 4.512 30 10 CJEE CCCCCCCCC[C@H](O)C1CC2(CSC2)C1 718491373 NGKKLGIRKKYBKU-HNNXBMFYSA-N 270.482 4.631 30 10 CJEE N#Cc1cncc(CSc2cc(Cl)cc(Cl)c2)c1 721556255 BKEPFWRHOGSXCE-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C=C1CCC(CN[C@@H](C)c2ccc(CC)s2)CC1 724440723 HLYVEWZPFWNZOV-ZDUSSCGKSA-N 263.450 4.708 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H](CC)CCCC)CC1 724618179 QPTRGSUPIHQSMW-SJORKVTESA-N 251.458 4.927 30 10 CJEE C#CCCCCCC(=O)Nc1ccc(CCC(C)C)cc1 1125579767 XCFRYKNSCYFTEA-UHFFFAOYSA-N 285.431 4.797 30 10 CJEE C=CCC[C@H](C(=O)N1CCC(C(C)C)CC1)c1ccccc1 1146595967 MFSHWBNBKXPNIL-IBGZPJMESA-N 299.458 4.631 30 10 CJEE C=C(C)CN1CCC(Cc2cc(Cl)ccc2Cl)CC1 1167563395 VLCZNIHVUFGOIZ-UHFFFAOYSA-N 298.257 4.824 30 10 CJEE C=CC(C)(C)CCCNC[C@@]1(C)C[C@@H]1c1ccccc1 1183672878 OALZHEVCQZBEJE-IEBWSBKVSA-N 271.448 4.762 30 10 CJEE C#Cc1ccc(CN2CCC(CC3CCCCC3)CC2)cc1 1184045753 QCRSWOQDXSGXPY-UHFFFAOYSA-N 295.470 4.850 30 10 CJEE C=CCCCNC1(c2cccc(Cl)c2)CCCC1 1192564859 FNBOAYDDYCFANY-UHFFFAOYSA-N 263.812 4.665 30 10 CJEE C=CC[C@@H]1CC[C@@H](N[C@@H]2CCSc3ccccc32)C1 1198990371 IKGLKBGFXGSJNO-IIAWOOMASA-N 273.445 4.558 30 10 CJEE C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1269352103 OZCDIRQGBDESMN-DLBZAZTESA-N 291.479 4.681 30 10 CJEE C=C[C@@H](OC(=O)/C=C\C1CCCCCC1)c1ccccc1 1279070608 UDOZHNCIXDNTLO-KGUUONHRSA-N 284.399 4.984 30 10 CJEE C=CCN(Cc1cccs1)C(=O)CCCC[C@@H](C)CC 1353295890 WXRXYQGAAGBYCZ-HNNXBMFYSA-N 293.476 4.869 30 10 CJEE C=CCCC[C@@H](NC(=O)/C=C/C1CCCC1)c1ccccc1 1438921923 PCKHEJPAUSUJTB-CLHDZIPGSA-N 297.442 4.947 30 10 CJEE C=CCCC(C)(C)NC(=O)C[C@H](c1ccccc1)C(C)C 1461768326 FPLCOIGXICUPLI-KRWDZBQOSA-N 287.447 4.677 30 10 CJEE C=CC[C@@H]1N(Cc2cccc3ncccc23)CCCC1(C)C 1473431900 IJNBHEZJAGIVSB-IBGZPJMESA-N 294.442 4.802 30 10 CJEE C=C1CCC(CN[C@@H](C)CCc2c[nH]c3ccccc23)CC1 1474702780 WJNXGODHCRTRQU-INIZCTEOSA-N 296.458 4.825 30 10 CJEE C=CC[C@@H](C(=O)N[C@@H](C)CC1CCCCC1)c1ccccc1 1525321912 DYRXQTUPGFSRNA-QFBILLFUSA-N 299.458 4.821 30 10 CJEE C=CCCCC(=O)N[C@H](c1ccccc1)C1CCCCC1 1525340039 COIOYYDYIRZBSK-LJQANCHMSA-N 285.431 4.781 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCCc2cc(C(C)(C)C)ccc21 1525992888 NYEWUZXLAIFAHO-OAHLLOKOSA-N 299.458 4.866 30 10 CJEE C=C[C@@H](CC(=O)N(CCCC)[C@@H](C)CC)c1ccccc1 1526093028 IOSMQDIQBXSIME-IRXDYDNUSA-N 287.447 4.774 30 10 CJEE C=CCC[C@@H](CCC)N[C@H]1CCc2ccc(C)cc21 1560913853 RZVAZNFKARZSOC-AEFFLSMTSA-N 257.421 4.707 30 10 CJEE C#Cc1ccc(N[C@H](C)c2ccc(-c3ccccc3)cn2)cc1 1561041327 PDNALSNKESGDBS-MRXNPFEDSA-N 298.389 4.903 30 10 CJEE C=CCC1(C(=O)N2CC[C@H](C3CCCC3)C2)CCCCC1 1585493116 IZERMULQQHFEMY-KRWDZBQOSA-N 289.463 4.552 30 10 CJEE C=C(C)CCC(=O)N(Cc1c(C)cccc1C)CC(C)C 1585782799 YTCIBOWYTVHJQO-UHFFFAOYSA-N 287.447 4.644 30 10 CJEE C#CCN(C(=O)C[C@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 1598261645 QMXIWSWLKIBTKV-INIZCTEOSA-N 299.458 4.564 30 10 CJEE C=CCCCCCN(C1CC1)[C@@H]1CCc2ccccc21 1615920124 UIOFHHPABPXPSA-LJQANCHMSA-N 269.432 4.885 30 10 CJEE C=CCCCCC[C@@H](C)Nc1cncc(Cl)c1C 1621362450 IETILIGZSJUCKN-GFCCVEGCSA-N 266.816 4.980 30 10 CJEE C#Cc1ccc(N[C@@H]2CS[C@H](C(C)(C)C)C2)c(Cl)c1 1621548223 WCCTVQXQYKSZDY-WFASDCNBSA-N 293.863 4.653 30 10 CJEE C=C(C)c1cccc(NC(=O)c2ccc(CC)s2)c1 1640180213 WWSBCGASHFJDRD-UHFFFAOYSA-N 271.385 4.596 30 10 CJEE C=C(CC(C)C)C(=O)Nc1cccc2c1ccn2C(F)F 1640271192 IYTASPPBDZZPJO-UHFFFAOYSA-N 292.329 4.577 30 10 CJEE C=CCN(Cc1ccc2cnccc2c1)CC1CCCCC1 1644603502 WOAVTDBGNIYNNE-UHFFFAOYSA-N 294.442 4.803 30 10 CJEE C=CCC[C@@H](C)NCc1ccccc1SC(F)(F)F 1653224741 MEMHSUKRVNHXJF-LLVKDONJSA-N 289.366 4.743 30 10 CJEE C=CCCc1ccccc1NCc1ccsc1C 1657845457 GUVLNQJGWXYEMA-UHFFFAOYSA-N 257.402 4.787 30 10 CJEE C=CCCc1ccccc1NCc1ccc(F)c(F)c1F 1657846375 YNWORRHKCXJRJR-UHFFFAOYSA-N 291.316 4.835 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)CCC=C(C)C 1681274428 BWVZOQNXEPPHSJ-ZACQAIPSSA-N 292.467 4.555 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H]1CCCC[C@@H]1C 1880995741 RKWHCKWSPNXGTR-WMZOPIPTSA-N 257.421 4.643 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1COC 1883835655 TXZNODJOYWMQNQ-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=CC[C@H]1CCCN(Cc2csc3ccccc23)C1 1883925183 GAKBSXDSEMGONM-AWEZNQCLSA-N 271.429 4.689 30 10 CJEE C=CC[C@H](C)Sc1ncc(Cl)cc1Br 1886283187 VRMSTUFHHOCGBG-ZETCQYMHSA-N 292.629 4.554 30 10 CJEE CCCCCCCC[C@H](C#N)N(CC)C(=O)OC(C)(C)C 1906935383 KEOPKZLKUFKHLQ-OAHLLOKOSA-N 296.455 4.886 30 10 CJEE CCCCCC1CC(Nc2ccc(C)c(C#N)c2)C1 1909992410 IQQCUZJSYMYSEZ-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE CC[C@@H]1C[C@@H](C)SC(=N[C@H](C)c2cccc(Cl)c2)N1 1911863829 PAOIFUBWHOLPCQ-JTNHKYCSSA-N 296.867 4.651 30 10 CJEE CCCC[C@@H](CCC)N=C1N[C@@H](C2CCCCC2)CS1 1912004137 XARXSSADOABGEU-HZPDHXFCSA-N 296.524 4.987 30 10 CJEE C=CCCCCCCNc1ccnc(C(F)F)c1 1918458872 COOUMUXJDGJQHO-UHFFFAOYSA-N 254.324 4.568 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@H]1CCCC[C@H]1CC 1919402165 OXXPONUKZGZIKL-RYRKJORJSA-N 282.468 4.883 30 10 CJEE C=C([C@H](NCCC)[C@@](O)(CC)C[C@@H](C)CC)C(C)(C)C 1920939443 DVTDFUZMKZVUKF-QILLFSRXSA-N 283.500 4.534 30 10 CJEE C=C([C@@H](NCCC)[C@@H](CC)CC(F)(F)F)[Si](C)(C)C 1922872068 BWDFMNJRUVVIRO-QWHCGFSZSA-N 295.465 4.767 30 10 CJEE C=C([C@@H](NCCC)c1ccc(C)c(F)c1)[Si](C)(C)C 1922980188 WJDJMONXTJWMOP-MRXNPFEDSA-N 279.475 4.608 30 10 CJEE C=C1CCC(CNc2cscc2Br)CC1 1925098058 LJQLAYVKMILQDL-UHFFFAOYSA-N 286.238 4.669 30 10 CJEE C[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C(C)(C)C)C1 1931998932 RIAPMHYARPUTDW-BPQIPLTHSA-N 284.447 4.615 30 10 CJEE C=C(C)CCCNc1nc(Cl)c(Cl)cc1Cl 1935957868 KDGJBLOGXGFCJN-UHFFFAOYSA-N 279.598 4.810 30 10 CJEE CCCCCCCCCCCC[C@](C)(N)C(=O)OCC 1951796943 KBUHQVYRQFNJTJ-KRWDZBQOSA-N 285.472 4.578 30 10 CJEE C=CCC[C@@H](C)[C@H](N)c1scc(Cl)c1Cl 1958096404 QOEVIAVYQFIADF-XCBNKYQSSA-N 264.221 4.657 30 10 CJEE C=C(CC)CCc1ccc(Br)c(F)c1F 1961423731 KKCYQMDCAGKVNY-UHFFFAOYSA-N 275.136 4.626 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C)cc1F 1963222729 MTATXJSFTDFVAG-HNNXBMFYSA-N 265.416 4.973 30 10 CJEE C=C(C)CC[C@H](C)NCc1csc(-c2cccs2)n1 1964048254 KWQBBBSHKUWLMZ-LBPRGKRZSA-N 292.473 4.706 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1Cl)C12CCC(CC1)C2 1973850521 YHJHHABXLJJGDD-FZWSLVFFSA-N 274.795 4.592 30 10 CJEE C=CCCCCC(=O)c1cc(C)c(Br)s1 1975339526 OKBAJOQKQZDSTM-UHFFFAOYSA-N 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290.838 4.805 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 68594698 VELYGQISRQJEQD-SMDDNHRTSA-N 262.784 4.592 30 10 CJEE CC1(C)CCC[C@](C#N)(Nc2ccc(Cl)cc2)C1 79980748 UTABBMZFKCCBJT-HNNXBMFYSA-N 262.784 4.614 30 10 CJEE CC(C)(C)c1ccccc1NC[C@@H](C#N)c1ccccc1 80786608 ZVLLWKVAGAAKGB-MRXNPFEDSA-N 278.399 4.703 30 10 CJEE COc1ccc(C)cc1C1(C#N)CC2(CCCCCC2)C1 86543291 JPGJAXZRZZNBCI-UHFFFAOYSA-N 283.415 4.899 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 91880630 IVMLOEOURGIHSY-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE C=C(C)[C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)NCC 92116481 DJYDKBKSKVYRIP-GOSISDBHSA-N 273.464 4.698 30 10 CJEE C[C@@H](CCS)CCSc1ccc2c(c1)CCC2 94588879 JGOTZTJQJDIDCD-LBPRGKRZSA-N 266.475 4.614 30 10 CJEE Fc1ccc(SCC2(CS)CCCCC2)c(F)c1 94588922 QEBANBJKOZATPM-UHFFFAOYSA-N 288.428 4.937 30 10 CJEE CC(C)CCN(C1CCCC1)[C@@H]1C[C@H](C)CC[C@@H]1C#N 94848781 NGYLPXNDONXWKW-JFIYKMOQSA-N 276.468 4.605 30 10 CJEE CSc1ccc(Oc2cc(Cl)ccc2C#N)cc1 104332529 DUGUOYMXRFQYDS-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCN1C[C@@H](CC)Nc2cc(OC)ccc21 106599416 YFCUMVSYYLDTER-OAHLLOKOSA-N 290.451 4.676 30 10 CJEE CCCCCCCO[C@H](c1ccc(F)cc1)[C@@H](N)CC 109987459 FBPLHMDPRLGAKB-DLBZAZTESA-N 281.415 4.591 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCCC[C@@H]2C(C)(C)C)c1 110028701 FGGAHYVNRYXVCL-SJLPKXTDSA-N 270.420 4.906 30 10 CJEE CCCCCCCCOC[C@@H](NC)c1ccc(C)cc1 110084048 YFELBRJRZWTKMD-GOSISDBHSA-N 277.452 4.633 30 10 CJEE Cc1ccc(C(C)C)c(Oc2nc(C)cc(C)c2C#N)c1 110260711 AOMIECPZYXWTSU-UHFFFAOYSA-N 280.371 4.794 30 10 CJEE Cc1cccc(CSCCCOc2ccc(C#N)cc2)c1 110354972 JQNMVMQBRQYHOK-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCCCCCCCCC[C@H](CCCOC)NC 114842143 VJYUEQWSNXHJPR-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H]1CCOC1 114995502 XTDROEMBRVAHSB-INIZCTEOSA-N 268.441 4.903 30 10 CJEE CCCCCCCCCC(=O)c1ccc(N)c(F)c1 115066749 CAXLPXIJVHFYOO-UHFFFAOYSA-N 265.372 4.731 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CN)c1cccc(C)c1 115863151 KAOSPBXADSSMTQ-RBUKOAKNSA-N 291.479 4.539 30 10 CJEE CCCCCCCCCCOc1ccc(C)nc1C=O 118336359 MSSYUFSRYIRNNL-UHFFFAOYSA-N 277.408 4.722 30 10 CJEE CCCCCCCCC(=O)c1ccc2c(c1)NCC2 126472670 GTIRVFLBBDYDNV-UHFFFAOYSA-N 259.393 4.588 30 10 CJEE CCCCCCCCNc1c(F)cc(N)c2cccnc12 129133402 TUBCKHHERJSZLI-UHFFFAOYSA-N 289.398 4.729 30 10 CJEE CCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 130054904 GEXHRYHGIADHNN-CQSZACIVSA-N 289.250 4.858 30 10 CJEE CCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 135319632 WWGZVBMVCCGYIJ-CABCVRRESA-N 288.522 4.933 30 10 CJEE CCCCCCCCNC(=O)c1cc(C)ccc1NCC 147349772 MKPJRXMHAPNNNP-UHFFFAOYSA-N 290.451 4.517 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)c2cc(C)cc(C)c2)C1 148736191 BNDPPXQJOMUCFQ-BHIYHBOVSA-N 285.431 4.621 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](N)C[C@@H]1C 156200651 SRRARQDIWJFNRD-ROUUACIJSA-N 282.516 4.719 30 10 CJEE C=CCCC[C@H]1CC(C)(C)CC[C@@H]1CNCCC 156287937 DUCYGKCQDGLUOV-JKSUJKDBSA-N 251.458 4.785 30 10 CJEE CCCCCCCC(=O)[C@H](OCC)c1ccccc1 161566791 HKNOIZZQIBWYRE-QGZVFWFLSA-N 262.393 4.694 30 10 CJEE Cc1cccc(N[C@]2(C#N)CC[C@@H](C)c3ccccc32)c1 163863453 DPJROPBVJGNDHH-BEFAXECRSA-N 276.383 4.723 30 10 CJEE N#Cc1cc(Oc2cc(F)cc(F)c2)ccc1C(F)(F)F 164504070 PYBZSADZWXKKQD-UHFFFAOYSA-N 299.198 4.648 30 10 CJEE C=C(C)CC[C@@H](Cc1cccc(C(F)(F)F)c1)NCC 164634043 FPERTEYPCNMKPZ-HNNXBMFYSA-N 285.353 4.582 30 10 CJEE C=C(C)CC[C@@H](CSc1ccc(F)cc1)NCCC 164639788 DQURYOVGPYRELW-HNNXBMFYSA-N 281.440 4.642 30 10 CJEE C[C@@H](NCc1cc(C#N)cs1)c1ccc2ccccc2c1 177680500 OTBRBKCLMKCKRP-CYBMUJFWSA-N 292.407 4.624 30 10 CJEE C=CCCC[C@H]1C[C@H](C)CC[C@@H]1CNCC(C)C 219196719 GGQBSRFRYOIKEF-IXDOHACOSA-N 251.458 4.641 30 10 CJEE Cc1cccc(C#N)c1Sc1ccc(Cl)cc1 221494051 MWEIRXMHVQZLKJ-UHFFFAOYSA-N 259.761 4.671 30 10 CJEE C#CCCC[C@@H]1C[C@H](CCC)CC[C@@H]1CNCC(C)C 227925990 HBXVCFPRRJCIIP-GUDVDZBRSA-N 277.496 4.868 30 10 CJEE N#CC[C@@H](Nc1cc(F)cc(Cl)c1)c1ccccc1 230004561 YWIKHSXCSWKEFP-OAHLLOKOSA-N 274.726 4.546 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1CCC[C@@H](CC(C)C)C1 230771200 OWVSKOHGPKAZSN-RDJZCZTQSA-N 270.420 4.884 30 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C[C@H]1CCCC[C@]1(C)Nc1cccc(Cl)c1C#N 308722801 FWXNUGOVDKAKAT-NHYWBVRUSA-N 262.784 4.592 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCCC23CCCCC3)cc1 312997563 QZFUBMUGTKWGOW-IBGZPJMESA-N 299.458 4.844 30 10 CJEE N#C[C@]1(Cc2csc(Cl)c2)CCCc2ccccc21 381063100 SGFKAENQFLRQTA-MRXNPFEDSA-N 287.815 4.742 30 10 CJEE C=C([C@@H](NCCC)c1c(C)cc(C)cc1C)C(F)(F)F 383434669 GTRUMLDNTZFZOG-OAHLLOKOSA-N 285.353 4.771 30 10 CJEE C=CC[C@H](CNC(C)(C)C)CC1CCC(C)CC1 387111983 DOSOQLONJDZXJS-GPANFISMSA-N 251.458 4.783 30 10 CJEE CC(C)C[C@H](C)C[C@@]1(C#N)CCCc2ccccc21 387618785 LNIZDRZTVRCJQK-MAUKXSAKSA-N 255.405 4.857 30 10 CJEE CCCCCCCOC[C@H]1CCNc2ccccc21 388680517 DXRMVEKTERISIH-OAHLLOKOSA-N 261.409 4.573 30 10 CJEE CCCCCCCCNCc1csc(Cl)c1 393531939 LYYNHORKDDQNSB-UHFFFAOYSA-N 259.846 4.852 30 10 CJEE Cc1cc(C2(C#N)CCC(C(C)(C)C)CC2)cc(C)n1 394214652 JZSFIMCZHLDJEO-UHFFFAOYSA-N 270.420 4.696 30 10 CJEE C[C@@H]1CCC[C@@H](SC[C@@H](C#N)C2CCCC2)C1 397172500 BMNLNVQHGONHQN-BPLDGKMQSA-N 251.439 4.628 30 10 CJEE CCCN(Cc1ccccc1)C[C@@H](C#N)C1CCCCC1 397361257 BISIQRKJQARQON-LJQANCHMSA-N 284.447 4.619 30 10 CJEE C=CCCCSCc1ncc(-c2ccc(C)cc2)o1 437266673 GKIMLRMVIHJENP-UHFFFAOYSA-N 273.401 4.849 30 10 CJEE CC(C)c1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1 512662689 ZPCOGTQGOBAEFP-CYBMUJFWSA-N 282.362 4.994 30 10 CJEE N#Cc1cccnc1-c1c(Cl)cc(Cl)cc1Cl 514260842 KGXAWZXUPJEZPU-UHFFFAOYSA-N 283.545 4.580 30 10 CJEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1csc2ccccc12 666606072 SQJBFNOGVHECAS-BETUJISGSA-N 298.411 4.616 30 10 CJEE C#CCCCCC[C@@H](NC)c1ccc(C(C)(C)C)cc1 686693333 RRAWPJMPLULNTH-GOSISDBHSA-N 271.448 4.828 30 10 CJEE C#CCCCCCC(=O)CC12CC3CC(CC(C3)C1)C2 686701841 RJMSQRMOXQBUKD-UHFFFAOYSA-N 272.432 4.746 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cc1Cl 692190232 JDLZEUPEHGTULG-ZWNOBZJWSA-N 285.218 4.935 30 10 CJEE CCC[C@@H]1CCCCN(c2ccc(C#N)cc2Cl)C1 703205247 LBVMWZXZSBKNCG-CYBMUJFWSA-N 276.811 4.618 30 10 CJEE Cc1cc(N(C)[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1C#N 709180866 AINKPQXFSQHPIY-DYVFJYSZSA-N 270.420 4.518 30 10 CJEE CCCCCCCCC(=O)c1cc(C(C)(C)C)nn1C 711927172 VEIMSVFBUNCEBQ-UHFFFAOYSA-N 278.440 4.651 30 10 CJEE CCCCCCC[C@H](C[C@H]1C[C@H]1C1CC1)NCC 712938164 ATWMBHJECPUQSP-BBWFWOEESA-N 251.458 4.761 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)c1ccccc1OC(F)F 715707237 WDYWVSSNFMBZCU-WFASDCNBSA-N 283.362 4.541 30 10 CJEE CCCCCCCCCCC[C@@H](CC[C@H]1CO1)NC 718616682 RWCDWLUGIZBVEQ-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE N#Cc1cncc(CSc2cc(Cl)ccc2Cl)c1 721557184 FZDOKAVAAAXBLS-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C=C1CCC(C[C@H](C[C@H]2C[C@H]3CC[C@H]2C3)NCC)CC1 724581587 CKXVBHKUCKIFHV-INDMIFKZSA-N 275.480 4.927 30 10 CJEE C=C1CCC(CC(=O)C(CC)(CC)N(CC)CC)CC1 724592065 IBWGXUBNYFOEGG-UHFFFAOYSA-N 279.468 4.593 30 10 CJEE C[C@@H]1CCCC[C@@H]1/N=C1/N[C@H](C2CCCCC2)CCS1 725103688 GKEDJPOQPVSXGZ-KBMXLJTQSA-N 294.508 4.597 30 10 CJEE N#Cc1cc(C(F)(F)F)c2scc(C(F)(F)F)c2c1 725324480 JYJSTLUMZJBDKF-UHFFFAOYSA-N 295.207 4.811 30 10 CJEE Cc1cc(Cl)ccc1/C=C/C(=O)c1ccc(C#N)cc1F 767359905 PIZJVUOQWRGMRT-QPJJXVBHSA-N 299.732 4.555 30 10 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280.500 4.785 30 10 CJEE C=CC1(C[C@@](C)(N)c2ccc(C(F)(F)F)cc2)CCC1 2168030573 HYHXQASSMZDFDE-CQSZACIVSA-N 283.337 4.626 30 10 CJEE CCC1CCC([C@H](C)Nc2ccc(F)c(C#N)c2)CC1 2168395292 LVHFGOBFFMJJOO-HSBZDZAISA-N 274.383 4.714 30 10 CJEE CCC1CCC([C@H](O)[C@]2(C#N)CCCC(C)(C)C2)CC1 2168537456 ZUGFYRZTYPBNEX-UNGSAITNSA-N 277.452 4.674 30 10 CJEE N#CCN(C[C@@H]1CCCC2(CC2)C1)C1CCCCCC1 2169057496 WQEWNVAHDAABPF-MRXNPFEDSA-N 274.452 4.505 30 10 CJEE CCCCCCCCNCc1csc([C@@H](C)OCC)n1 2169825875 LPVCVITWIKEINM-CQSZACIVSA-N 298.496 4.691 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H](CC=C(C)C)NCC 2171042485 OZDUYAWWVBINOK-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C#CCCCC[C@H](NCC)C1CC2(C1)CC1(CCC1)C2 2173471543 SEOJVKQRWCGEJV-KRWDZBQOSA-N 273.464 4.519 30 10 CJEE C#CCCCCC1(CNC2CC2)CCC(CCC)CC1 2173498338 TWQKDWMFNXAPDZ-UHFFFAOYSA-N 275.480 4.909 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@@](C)(O)CC1CCCCC1 2173639714 PNKCFDQAJMDJPP-ZWKOTPCHSA-N 277.452 4.818 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 2173646090 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30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@H]1CCC[C@@H]1C(F)(F)F 2344343587 DZLDHJNAYLRIFF-RQJABVFESA-N 277.374 4.675 30 10 CJEE C=CCC(C)(C)[C@H](N)c1cc(C(F)(F)F)ccc1Cl 2344354823 CLVCXILEKJSJOX-GFCCVEGCSA-N 291.744 4.961 30 10 CJEE C=CC[C@](C)(CC)C(=O)CCCC(F)(F)C(F)(F)F 2344381947 DNIQYZCRYNTLLU-NSHDSACASA-N 286.284 4.916 30 10 CJEE CC1(C)CC[C@@H](CC[C@]2(C#N)CCOCC2(C)C)C1 2344861845 NAAGNOVQBJSDQG-WMLDXEAASA-N 263.425 4.549 30 10 CJEE CCN(CCc1cccs1)C[C@@](C)(CS)C(C)(C)C 2352167083 DGODHJGHJWKFGF-INIZCTEOSA-N 299.549 4.595 30 10 CJEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C#N)CCCC2=O)c1Cl 2353186873 SRDLMTATVHYIJH-BMIGLBTASA-N 296.197 4.668 30 10 CJEE CCCCCCCCCC[C@@H](O)C[C@@H]1C[C@@H]2CC[C@H]1O2 2354998895 BFXUMEMZQRYGBA-ZJPYXAASSA-N 282.468 4.836 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1[C@@H]2CCCO[C@@H]21 2355548508 FRGVODVMBMZMPI-FJIDUMEYSA-N 281.484 4.530 30 10 CJEE CCCCCCCCCC[C@](C)(O)[C@H]1C[C@@H]2CCO[C@H]12 2358108135 DONDUYBGDZKDJH-XSLAGTTESA-N 282.468 4.693 30 10 CJEE 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4.979 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3ccccc32)c1 71464949 DOEZTDNKSMDJPM-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CC(C)(C)c1oc(-c2cc3ccccc3o2)cc1C#N 77085764 GGCFTRGDWVJGGB-UHFFFAOYSA-N 265.312 4.862 30 10 CJEE CCc1sc(-c2ccc(C)c(C)c2)cc1CC#N 77096453 OEORAWHASZDHGR-UHFFFAOYSA-N 255.386 4.660 30 10 CJEE C[C@H]1CCC[C@](C#N)(Nc2ccccc2Cl)CC1 86891582 DVQRLAVDLGYZOB-WFASDCNBSA-N 262.784 4.614 30 10 CJEE C=C(C)C[C@@H](CSc1cccc(Cl)c1)NCCC 92130038 RLTAQYGKHJLYCA-AWEZNQCLSA-N 283.868 4.767 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(C2CC2)cc1 94521313 USUVXKVLTOCJLC-QGZVFWFLSA-N 282.774 4.894 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2C)C1 97856951 DRGZGFIOTHLHDT-YOEHRIQHSA-N 259.368 4.787 30 10 CJEE CCCCCCCCOc1cccc(CNCC2CC2)c1 100047228 PJVISWRHCGOODE-UHFFFAOYSA-N 289.463 4.926 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OCC)cc1CC 107660184 MYYULTSCRRCFAP-HUUCEWRRSA-N 258.405 4.801 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1CC 109654491 VBZUTBGSTCCQQT-UHFFFAOYSA-N 261.409 4.938 30 10 CJEE 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299.430 4.910 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)[C@H](C)CC1CCC1 2360385217 YQPQPTDGIVQOCD-GDBMZVCRSA-N 284.440 4.643 30 10 CJEE Cc1ccc(/C=C\C(=O)/C=C\c2ccc(Cl)cc2)cc1 33779300 ANGSKDFFJBIPJD-JMVBYTIWSA-N 282.770 4.944 30 10 CJEE CC(C)c1ccc([C@@H](C#N)C(=O)c2cccc(Cl)c2)cc1 36931492 YHDRALMNTJDKGM-QGZVFWFLSA-N 297.785 4.953 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1F 36954341 WYQPQHHINJZMHE-SECBINFHSA-N 292.716 4.663 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156727 UTCSODOZCOBBIA-UEKVPHQBSA-N 281.371 4.775 30 10 CJEE Cc1ccccc1OCCC[C@@H](C#N)c1ccccc1F 57686441 YMWQNVQGNZOLTL-HNNXBMFYSA-N 283.346 4.601 30 10 CJEE CCc1ccccc1/N=C/c1ccc(N2CCCCC2)cc1 59104408 CDHPIMUAGBGMPM-LTGZKZEYSA-N 292.426 4.990 30 10 CJEE C/C(CCc1ccc(O[C@H]2CC[C@H](C)[C@@H](C)C2)cc1)=N\O 85026873 MXHGXTLZFHHOGL-GQRCFQNOSA-N 289.419 4.673 30 10 CJEE Cc1cc(C)cc(CC2(C#N)CCC(C)(C)CC2)c1 87940229 HUNBAGUJHFMXKS-UHFFFAOYSA-N 255.405 4.956 30 10 CJEE CC1(C)CCC(C#N)([C@@](C)(O)c2ccccc2Cl)CC1 91877763 DMRQEINTWCWLDY-INIZCTEOSA-N 291.822 4.658 30 10 CJEE Cc1cscc1-c1nc2cc(C#N)ccc2n1C(C)(C)C 94249418 JOXCSUYOSOMDLC-UHFFFAOYSA-N 295.411 4.700 30 10 CJEE CC(C)(CS)COc1ccc(Cc2ccccc2)cc1 94584965 BRAGIMURXAVABS-UHFFFAOYSA-N 286.440 4.612 30 10 CJEE Cc1cc(C)cc(CS[C@@H]2C[C@H](C)CC[C@@H]2C#N)c1 94718408 FGXQUORRZGSEDV-CSMYWGQOSA-N 273.445 4.865 30 10 CJEE C=C(C)CC[C@@H](NCCC)c1cccc2ncccc12 97419548 FDDZAUHLXMAZOD-GOSISDBHSA-N 268.404 4.632 30 10 CJEE N#C[C@@]1(Nc2ccccc2)CCCC[C@@H]1c1ccccc1 97898366 RTFWWBGWLQXIJT-MOPGFXCFSA-N 276.383 4.719 30 10 CJEE CCCCCCCCCCC(C)(C)CNCCOC 104017967 BXVSVFMAAHMWFD-UHFFFAOYSA-N 271.489 4.779 30 10 CJEE CC[C@@H]1O[C@@H]1C[C@@H](CC)c1ccccc1Br 107495634 MPJHTBYRRRYFAY-DDTOSNHZSA-N 283.209 4.510 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 109808015 CFBLRLZLCRTHIH-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCC[C@@H]1C1CCCC1 110024595 UHWUFKMLOXHQTL-MOPGFXCFSA-N 294.527 4.719 30 10 CJEE CCCCCCCCC[C@@]1(CNC(C)C)CCOC1 110213406 DKLMWTICQLOBME-KRWDZBQOSA-N 269.473 4.532 30 10 CJEE CCCCCCCCC[C@H](CC1CCCCC1)NN 122216339 MBYDYDPJPIUSKB-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@H](CSc1cccc(C)c1)NN 126952210 KMVSGYTYPDGQSW-MRXNPFEDSA-N 294.508 4.670 30 10 CJEE CCCCCCCCCCCC[C@H](NC)[C@@H](C)OC 129146431 CGAIGSDTAZRNMV-SJORKVTESA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCNCc1cnn(C(C)(C)C)c1 129312020 IRVAERPOYXCKJF-UHFFFAOYSA-N 293.499 4.868 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@@H]1CCCCS1 130174852 UBVVKYXDTSKEHF-HOTGVXAUSA-N 286.529 4.635 30 10 CJEE N#Cc1cc(Cl)ccc1Nc1cccc2ccncc12 131530369 OGFMGPCZCMYHQV-UHFFFAOYSA-N 279.730 4.503 30 10 CJEE C#CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1CNCC(C)C 133190486 ZYYFWTJONCPCDM-KSZLIROESA-N 277.496 4.724 30 10 CJEE CCCCCCCCCC[C@@H](CCSC)NC 143460828 FUZOWSUPJSHGHU-HNNXBMFYSA-N 259.503 4.858 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1cccc(F)c1Cl 158910639 QPUBPLPZQFWGBD-INIZCTEOSA-N 283.818 4.602 30 10 CJEE CCCCCCCCn1cc2c(c1)[C@@H](NC)CCCC2 164202016 PZARAXDMOFTBEX-SFHVURJKSA-N 276.468 4.836 30 10 CJEE CCCCCCCCCCC(=O)[C@H]1CC[C@H](C)O1 165093076 UADPHFCBMWVMIQ-GOEBONIOSA-N 254.414 4.654 30 10 CJEE CCCCCCCCOCc1ccc(C(N)=S)cc1C 165678501 QDJFHAQPKFNDHJ-UHFFFAOYSA-N 293.476 4.506 30 10 CJEE C=C(CC)C[C@H](NCCC)C1(OCC)CCC(C)CC1 166151269 WSQKSJFDQOLEHQ-ADKAHSJRSA-N 281.484 4.696 30 10 CJEE CCCCCCCCOc1cc2cnccc2cc1OC 216730264 HSRNDXUKBVPBOZ-UHFFFAOYSA-N 287.403 4.983 30 10 CJEE CCC[C@@H]1CCC[C@](O)([C@@]2(C#N)CC[C@@H](CC)C2)CC1 218599176 IQZNZAPZVFAFKN-ZJPYXAASSA-N 277.452 4.818 30 10 CJEE N#Cc1ccc(OCCCCc2ccccc2)cc1Cl 226060326 JRKYJJCNBONULD-UHFFFAOYSA-N 285.774 4.613 30 10 CJEE CCCCCCCCCCCC[C@H](CCCN)C(=O)O 229475833 BYZFAPLJXBBYJY-MRXNPFEDSA-N 285.472 4.737 30 10 CJEE CCCCCCC[C@@H](NN)c1scc(C)c1Cl 232961933 MLTTXKOFXYNTID-LLVKDONJSA-N 274.861 4.575 30 10 CJEE Cc1ccc(C[C@@]2(C#N)CCC[C@@H](C)C2)c(Cl)c1 235324294 LBGVKDUXFBIEOG-CZUORRHYSA-N 261.796 4.911 30 10 CJEE N#Cc1ccc(Oc2cncc(Cl)c2)c2ccccc12 236079799 ICPBOIBQYGOGOQ-UHFFFAOYSA-N 280.714 4.552 30 10 CJEE N#Cc1ccc(Sc2ccc(O)cc2)c2ccccc12 236568185 JOOXZDJNMLVYFR-UHFFFAOYSA-N 277.348 4.568 30 10 CJEE CCCCCCCCC[C@H](O)[C@H]1C[C@H]2CC[C@H]1C2 252823877 RYYYQIDZPMKKBL-QAETUUGQSA-N 252.442 4.924 30 10 CJEE CCCCCCCCC[C@@H](CN)N1CCCC[C@H]1CC 300516358 FGTPHBDNYKFSEB-MSOLQXFVSA-N 282.516 4.719 30 10 CJEE CCCCCCC[C@H](NCC)C(C1CC1)C1CC1 310633873 PICQJSPRRLMDTC-INIZCTEOSA-N 251.458 4.761 30 10 CJEE N#C[C@@]1(CCC2CCCC2)CCCc2ccccc21 311332775 IQCCGRRVRWYXKB-SFHVURJKSA-N 253.389 4.755 30 10 CJEE C[C@@H](Nc1ccc(CC#N)cc1)c1c(F)cccc1Cl 313665843 MGSUUUJFENURTR-LLVKDONJSA-N 288.753 4.718 30 10 CJEE O=CC1([C@H]2CCOC3(CCCCC3)C2)CCCCCC1 316620898 RZVJCGGHQGUGFB-INIZCTEOSA-N 278.436 4.655 30 10 CJEE CC1(C)CCC(C=O)(C[C@@H]2Cc3ccccc3S2)CC1 317570652 LUQDDDUCWKBMCK-HNNXBMFYSA-N 288.456 4.879 30 10 CJEE CCCC(CS)(CCC)COC[C@@H](C)CSC 383001003 ZOQYTULPTAFNDO-CYBMUJFWSA-N 278.527 4.519 30 10 CJEE CCC[C@H]1CCC/C(=C\B2OC(C)(C)C(C)(C)O2)CC1 396624944 CBJXUQGJRPXBFC-MRPLLJTBSA-N 278.245 4.925 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)c1 401422175 UNZCECOPIVCIQX-CHWSQXEVSA-N 276.811 4.840 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(C[C@@H](CC)CC(F)(F)F)C1 402427845 FKICXZNVRHKAPP-UPJWGTAASA-N 264.331 4.751 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H]1CC[C@H]2C[C@H]2C1 403318017 GYVXSAVZLZNMPV-VVLHAWIVSA-N 251.458 4.761 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc2cc[nH]c2c1 410345008 MPUQWQBVYHVARS-UHFFFAOYSA-N 290.366 4.539 30 10 CJEE C=C(C)C[C@H](C)c1nc(-c2ccc3nc(C)sc3c2)no1 558374657 NSVDXJPKRHNLOG-JTQLQIEISA-N 299.399 4.724 30 10 CJEE CCCCCCCCCC(=O)[C@H]1CCC[C@@H](OC)C1 686364765 TUYTZYGQGLHEGB-JKSUJKDBSA-N 268.441 4.901 30 10 CJEE Cc1ccc(F)c(N=C2NC3(CCCCC3)CCS2)c1 687323509 VCEORDNRBBARRW-UHFFFAOYSA-N 292.423 4.551 30 10 CJEE CC(C)CC[C@@H](O)C1(C#N)CC(C)(C)CC(C)(C)C1 688314542 GNAHXDUNJKHZBR-CQSZACIVSA-N 265.441 4.530 30 10 CJEE C=CCC1(NCc2ccc(CC(C)C)cc2)CCCC1 690719576 PIJVPDQPWOUVKE-UHFFFAOYSA-N 271.448 4.864 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](CC)c1cccs1 692254928 PSRNFOLFYKUOPZ-QLFBSQMISA-N 263.450 4.924 30 10 CJEE CC[C@@H](C)c1ccc(O[C@H](C)CC(C)(C)C#N)cc1 695810452 DRDZHCYRIKHOGF-ZIAGYGMSSA-N 259.393 4.907 30 10 CJEE CCCCCCC[C@H](CNCC(C)C)C1CCOCC1 696850568 DVHWPEOURKAWOC-GOSISDBHSA-N 283.500 4.635 30 10 CJEE CCCCCCCCCCNc1nccnc1CCC 699500506 PULLRAAOJBYEFO-UHFFFAOYSA-N 277.456 4.982 30 10 CJEE C=CC(C)(C)CCNCc1nc(-c2ccccc2)cs1 701919875 NDEIKUGQXDDRMQ-UHFFFAOYSA-N 286.444 4.502 30 10 CJEE C=CC[C@@H]1CCCCN(c2cccc(Cl)c2[C@H](C)O)C1 703688690 PRLUOBMDQURYOO-UONOGXRCSA-N 293.838 4.576 30 10 CJEE CCCCCCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 703724738 YKMLBWXVFYJGCZ-INIZCTEOSA-N 278.396 4.606 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1cc2c(s1)CCCC2 710640026 XAXUPHNYANGWGA-ZDUSSCGKSA-N 283.868 4.810 30 10 CJEE Cc1cc(N[C@H](C2CCCC2)C2CCC2)ccc1C#N 711844116 MVNSVVPKQTVBEX-GOSISDBHSA-N 268.404 4.638 30 10 CJEE CC1(C)C[C@@]1(C)C/N=C1/NC2(CCCCCCC2)CS1 713227421 ZRUASJGXIFAMID-INIZCTEOSA-N 294.508 4.598 30 10 CJEE C=CC[C@H](C)[C@@H](O)c1ccccc1OCc1ccccc1 715029207 LUQAAVFDKXZAPH-HNAYVOBHSA-N 282.383 4.511 30 10 CJEE C=CC[C@H](C)[C@]1(CNC(C)C)CCC[C@@H](CC)C1 715827081 FVDIXOOMGZNFTM-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CC#CCCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 716028172 VICVQKUZQUYIHL-UHFFFAOYSA-N 295.226 4.550 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CCC2(CCC2)O1)NCC 716891719 VJLRXHHUMOMEJR-IRXDYDNUSA-N 281.484 4.817 30 10 CJEE CCCCCCCCCC[C@@H](N)C1CC2(CSC2)C1 718361321 WVPIADNFSYXUQZ-MRXNPFEDSA-N 283.525 4.988 30 10 CJEE CC1(C)CCCCC[C@@]1(O)C1(C#N)CCCCCCC1 719374810 JNFPHRXVOTXVEK-SFHVURJKSA-N 277.452 4.962 30 10 CJEE CCCCCCC[C@@H](NC)c1c(C)csc1C 724966703 FCBCZQFTKGDOKL-CQSZACIVSA-N 253.455 4.986 30 10 CJEE N#Cc1ccc2scc(C(F)F)c2c1OC(F)(F)F 725291569 SKLSTABUGJZMHT-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1SCC 1126027701 FOCAUOJOZDCEKD-UHFFFAOYSA-N 297.851 4.993 30 10 CJEE C=CC1(CC(=O)Nc2ncc(CCC)s2)CCCCC1 1127524040 CZNCHFZPYYZEQB-UHFFFAOYSA-N 292.448 4.561 30 10 CJEE C=CC[C@H](OC(=O)CC)c1ccc(Cl)c(Cl)c1 1128433165 GULWQDFPWRICND-LBPRGKRZSA-N 273.159 4.564 30 10 CJEE C=CCCC[C@@H](NC(=O)C(C)=C1CCC1)c1ccccc1 1132948799 KWSCSTQWPPRSNJ-GOSISDBHSA-N 283.415 4.701 30 10 CJEE C=C(CC(C)C)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C 1149183567 FXKKXUKGESYKFH-KRWDZBQOSA-N 287.447 4.801 30 10 CJEE C=CCN(CCc1ccco1)[C@@H](C)c1ccccc1Cl 1168578836 FROQZTNYGFBVBH-AWEZNQCLSA-N 289.806 4.725 30 10 CJEE C=CCCN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 1169675654 LJLBEOGJMYEOIK-QGZVFWFLSA-N 259.437 4.847 30 10 CJEE C=CC[C@H]1CCCN(Cc2cccc(OC(C)(C)C)c2)C1 1171847706 QBBQAAIZIMKMJL-INIZCTEOSA-N 287.447 4.652 30 10 CJEE C=CCCCCC[C@H](C)N[C@@H](C)c1cccs1 1180917466 UVZSKWBIHNCXDI-KBPBESRZSA-N 251.439 4.924 30 10 CJEE C=C[C@@H]1CCCCN1[C@H]1CC[C@@](C)(c2ccccc2)C1 1181314496 GFBHCRJZUHJCQG-CEXWTWQISA-N 269.432 4.537 30 10 CJEE C=CC(C)(C)CCN[C@H](C)Cc1ccc(F)cc1Cl 1183045641 LDMWDKKXUMDAHW-GFCCVEGCSA-N 283.818 4.602 30 10 CJEE C=CCCC(C)(C)CNCc1ccccc1OCC(C)C 1203338642 GIVLCBSKPSBBIC-UHFFFAOYSA-N 289.463 4.803 30 10 CJEE C=C(C)c1cccc(NCc2ccc(OC)cc2CC)c1 1203960869 KXWYQRTYGSNRCX-UHFFFAOYSA-N 281.399 4.903 30 10 CJEE C=CC[C@@H]1CC[C@H](Nc2ccc3c(c2)[C@@H](O)CCCC3)C1 1206597138 CVUJODXNFYFKEM-ALKREAHSSA-N 285.431 4.603 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@H]1[C@@H](C)CCC 1254022138 PXKUDBCGIMKHEQ-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=CCCCC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1271049432 OXZQCLVRNDECGY-DLBZAZTESA-N 272.388 4.771 30 10 CJEE C=CCC(C)(C)C(=O)OCc1cc2ccccc2s1 1273860753 PJVBYBFDGRJDPM-UHFFFAOYSA-N 274.385 4.547 30 10 CJEE C=CCN(CCC(C)(C)CC)CC1CCCCC1 1307473107 VFVVTHADYKTKEF-UHFFFAOYSA-N 251.458 4.881 30 10 CJEE C=CC[C@@H]1CC[C@@H](Nc2ccc(Br)c(F)c2)C1 1308377467 FSSLDMNHICAUEQ-GHMZBOCLSA-N 298.199 4.745 30 10 CJEE C=CCCCC[C@@H](C)NCCC1CCC(F)(F)CC1 1308975260 SJYAZVUADUWLJH-CQSZACIVSA-N 273.411 4.927 30 10 CJEE C=CC(C)(C)CC(=O)N(c1ccccc1)C1CCCC1 1360048038 WZDKDZALQISFPF-UHFFFAOYSA-N 271.404 4.565 30 10 CJEE C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 1435289194 OSTUJTJJIJSZSC-NZSAHSFTSA-N 299.458 4.692 30 10 CJEE C=C[C@H](OC(=O)/C(C)=C/c1ccc(C)cc1)c1ccccc1 1437641125 PRCOMEMMEYTOTD-IDCODDLRSA-N 292.378 4.869 30 10 CJEE C=CCCCCC[C@H](C)Nc1ncccc1SC 1462408369 FYYCYIPAKHIICE-ZDUSSCGKSA-N 264.438 4.740 30 10 CJEE C=CCC[C@@H](CC)NCc1ccc(C)c(Br)c1 1462561101 GSYLENMCIVRXTP-CQSZACIVSA-N 296.252 4.592 30 10 CJEE C=CCC(C)(C)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 1474544743 VDRGILCOVADUFG-ROUUACIJSA-N 271.448 4.590 30 10 CJEE C=CC(C)(C)CCCNC(=O)N(C)[C@@H](C)C1CCCCC1 1479218799 KRYXPIXWAFRPIB-HNNXBMFYSA-N 294.483 4.589 30 10 CJEE C#C[C@H](NC(=O)[C@](C)(CCC)CCCCCC)C(C)C 1521049894 FEVQETUAXOPNMF-FUHWJXTLSA-N 279.468 4.537 30 10 CJEE C=CCCCCCCCCNC(=O)c1cccc(C)c1C 1527714116 GJSDQOFTHUHHRH-UHFFFAOYSA-N 287.447 4.950 30 10 CJEE C=C[C@@H](CC(=O)OCCCc1ccccc1)c1ccccc1 1529620397 ODZSUGKSQOIXLW-SFHVURJKSA-N 294.394 4.522 30 10 CJEE C=CCCCN(CCCC(C)C)Cc1ccc(C)o1 1560142743 BBMXTFMPKJSJPP-UHFFFAOYSA-N 263.425 4.792 30 10 CJEE C=C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1C)c1ccccc1 1587283951 YIWZABIWFPVOPV-QFBILLFUSA-N 294.394 4.644 30 10 CJEE C=CC(C)(C)CC(=O)N(C(C)C)[C@H](CC)c1ccccc1 1588017840 WHMBBQKMYNHSMF-QGZVFWFLSA-N 287.447 4.977 30 10 CJEE C=CC[C@@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 1620214817 MITCOKNXRZGZMB-QWHCGFSZSA-N 281.802 4.828 30 10 CJEE C#CCC1(NCc2ccc(C3CCC3)cc2)CCCCC1 1621082396 YWHFGZTVTRHFDK-UHFFFAOYSA-N 281.443 4.770 30 10 CJEE C=CCC1(NC[C@H](C)c2ccc(C)cc2)CCCCC1 1621337651 MUVOSFICZCYOMQ-KRWDZBQOSA-N 271.448 4.967 30 10 CJEE C=C(C)CCNc1nc(C)nc2scc(CC(C)C)c12 1651082088 YTKYAENWGGNVBP-UHFFFAOYSA-N 289.448 4.576 30 10 CJEE C=CCCCCC[C@H](C)NC1CCC(C)(N2CCC2)CC1 1653199007 QCLPESLHRYJRSI-VIQWUECVSA-N 292.511 4.508 30 10 CJEE C=CC[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 1654177862 MOZRFQLOVPQGIG-GOSISDBHSA-N 279.427 4.670 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCOC2(CCCCC2)C1 1656622544 JTFMPGKIWGCARU-SQNIBIBYSA-N 291.479 4.593 30 10 CJEE C=CCN(Cc1cccc(C#N)c1)C[C@H]1C(C)=CCC[C@@H]1C 1658557953 NFNFHLOGJKAKQZ-PXNSSMCTSA-N 294.442 4.539 30 10 CJEE C=CCn1ncc2ccc(N[C@H]3CCCC34CCCC4)cc21 1660805190 WMMPWBQGVYYBGQ-SFHVURJKSA-N 295.430 4.747 30 10 CJEE N#C[C@]1(C2CC(c3ccccc3)C2)CCC12CCC2 1875852266 JCDYAIKPQZUIBC-HTWSVDAQSA-N 251.373 4.654 30 10 CJEE CC(C)=C(C)C(=O)c1ccc(-c2ccccc2F)o1 1877431650 ZEKHLTWAUMPNBF-UHFFFAOYSA-N 258.292 4.625 30 10 CJEE C=C(Cl)C[C@H](O)c1cccc(Oc2ccccc2)c1 1886358672 HJFDFEKJVBAUPB-INIZCTEOSA-N 274.747 4.655 30 10 CJEE C=CCCCCCC(=O)[C@@](C)(O)CCCCCCC 1886685054 QJVFMWFKLIIOKC-KRWDZBQOSA-N 268.441 4.804 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(Cl)c(F)c1 1887475641 OGMOYJXZCHRQEF-LRDDRELGSA-N 281.802 4.569 30 10 CJEE C=C(c1ccccc1)[C@@H](CCC1CCCCC1)NC 1888675369 QTFOZIFNJLVACB-GOSISDBHSA-N 257.421 4.648 30 10 CJEE C=C(c1ccccc1)[C@@H](CC(C)(C)CC)NCCC 1888688040 CPZKFCZIVFWAIT-QGZVFWFLSA-N 259.437 4.894 30 10 CJEE CC=C(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 1894553639 MAOKODCPCMRZGW-UHFFFAOYSA-N 289.375 4.573 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(C)=O)c(Cl)c1 1899387038 KMKCPVPJQRFSMX-SECBINFHSA-N 254.782 4.599 30 10 CJEE C=CC[C@H](C)OC[C@@H](NCCC)c1ccc(F)c(Cl)c1 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C=CCCCCCCC(=O)[C@H](O)C1CCC(CC)CC1 2206902489 KRZKJOZWHARNDM-LEOMRAHMSA-N 280.452 4.659 30 10 CJEE C=CCCCCCCCC[C@@H](N)CCc1ccccn1 2207403530 OCRIEMXOVSZFSI-QGZVFWFLSA-N 274.452 4.648 30 10 CJEE C=CCCCCCCCCCN[C@H]1C[C@@H](OC)C1(C)C 2207405247 RCLQTJMBUZCLPM-DLBZAZTESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCCC[C@@H](NC)c1oc(C)nc1C 2207406666 ZNKRICZKZMRCQK-MRXNPFEDSA-N 278.440 4.859 30 10 CJEE C=CCCCCCCCC[C@H](NC)c1ccncc1C 2207427389 MEYCAUZKEHTSAE-SFHVURJKSA-N 274.452 4.957 30 10 CJEE C=CCCCCCCCCNCCOCC1CCCC1 2207427712 PGJWEDZBHBZBDD-UHFFFAOYSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCCCN[C@@]12CC[C@@](CC)(C1)OC2 2207445393 BSYUVYGRMLVAQP-ROUUACIJSA-N 279.468 4.594 30 10 CJEE CCCCCCCC[C@@H](CN)N(C)CCC(C)(C)CC 2207469889 OZPXLVCHHFIQIU-KRWDZBQOSA-N 284.532 4.822 30 10 CJEE CCCCCCCC[C@H](C)NCC(C)(C)SC 2217314319 PRRYHAUZZWIIOV-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE C=CCCCCCCC[C@@H](C[C@H]1CCSC1)NC 2220082511 DDBZVSMUAYFPHX-CVEARBPZSA-N 269.498 4.634 30 10 CJEE CCCCCCCCN(C)[C@@H](C)c1scnc1C 2222078614 AFCSPYUUXFPWRF-AWEZNQCLSA-N 268.470 4.805 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@H](CCC)CC(C)C 2225433646 KKUYDBDTTKCZKY-SJORKVTESA-N 265.485 4.867 30 10 CJEE C=CCCCCCCC[C@@H](NC)C(C1CC1)C1CC1 2227271539 AXGZSUAAICXNIJ-QGZVFWFLSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)c1ncoc1C(C)C 2227274333 UFCXPXOJLPITCN-AWEZNQCLSA-N 265.397 4.748 30 10 CJEE C=CCCCCCCCNC[C@@]1(C)CCCC1(F)F 2227274754 XHLVBEJLXZAHSW-OAHLLOKOSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@]1(C)CC1(F)F 2227284169 AUYUMSIQCORHNY-HUUCEWRRSA-N 273.411 4.927 30 10 CJEE C=CCCCCCCCNCC1CCC(F)(F)CC1 2227292184 XWAUWLGMOPOXGH-UHFFFAOYSA-N 273.411 4.928 30 10 CJEE C=CCC1(n2c(S)nc3ccc(F)c(Cl)c32)CCC1 2227431235 JWRYZTUCNVRWRO-UHFFFAOYSA-N 296.798 4.573 30 10 CJEE CCCCCC#CC[C@H](NC)c1sc(C)c(C)c1C 2228566407 BXSPVTPGEFPNBC-INIZCTEOSA-N 277.477 4.908 30 10 CJEE CCCCCCCCCCO[C@@H]1CC[C@@H](NC)[C@@H]1C 2231023276 BRVHTZCENZMECK-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE CCC[C@@H](CC(C)C)[C@H](O)C#Cc1ccc(Cl)cc1 2231102487 FFJKXBDTRKHSGY-DOTOQJQBSA-N 278.823 4.515 30 10 CJEE CCCCCCCC[C@H](C)NCCc1ccc(C)o1 2231929610 MNPUAEXURHSIDP-HNNXBMFYSA-N 265.441 4.859 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H](C)c1ccncc1 2231945773 JPCLLLCRMLURTP-HZPDHXFCSA-N 262.441 4.871 30 10 CJEE CC[C@@H]1CC[C@](C#N)(Cc2coc3ccccc23)C1 2232347677 IPWSVGPBKRRYBL-CXAGYDPISA-N 253.345 4.695 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc2ccoc12 2232396053 NUUYRLRULKEYHK-UHFFFAOYSA-N 254.329 4.896 30 10 CJEE C=C([C@@H](CC1CC(OC(C)(C)C)C1)NCC)C(C)(C)C 2232948059 FGQUABQPUHOIQC-UYSNPLJNSA-N 281.484 4.551 30 10 CJEE CCCCCCCC[C@H](NCC)[C@@H]1OC[C@@H]2CCC[C@@H]21 2233197819 MLFUGFQHLVBONX-XLAORIBOSA-N 281.484 4.530 30 10 CJEE CC1(C)CCCC[C@]1(C#N)C[C@@H]1OC[C@@H]2CCCC[C@H]12 2233391651 PWRDKSPCEYOPEK-NBOOPKSLSA-N 275.436 4.692 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@]1(C)CCCC(F)(F)C1 2233781267 GBQULPQFVMYYHO-GOEBONIOSA-N 285.422 4.620 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)c1cc(F)c(Cl)cc1F 2233781516 IDXPMNJZIOPIIQ-OAHLLOKOSA-N 299.792 4.708 30 10 CJEE C=CCCCCCCC[C@H](NCCC)[C@@H]1C[C@@H](C)CO1 2235513162 IRNHQAIXQCLNIH-SQNIBIBYSA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@@H](N)c1ccccc1COC 2235518677 IVAZGXFWQMRDOL-GOSISDBHSA-N 275.436 4.750 30 10 CJEE C=CCCCCCCCC(=O)c1ccc([C@H](C)N)cc1 2235524850 UTCHLXAEFXXOHH-HNNXBMFYSA-N 273.420 4.806 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H](O)[C@@H](C)C(C)C 2235525775 DMYIHSLNWKGPPL-BZSNNMDCSA-N 283.500 4.534 30 10 CJEE C=CCCCCCCCN(C)[C@H]1COC(CC)(CC)C1 2235771213 QDHCZKSPQZGPDU-QGZVFWFLSA-N 281.484 4.793 30 10 CJEE CCCN[C@@H](C#Cc1cccc(Cl)c1)C1(CCC)CC1 2239469255 SQBLHCOKHWHNCV-KRWDZBQOSA-N 289.850 4.640 30 10 CJEE CCCCCCCCCCOc1ncc([C@H](C)NC)s1 2239506970 FZVPBYVBCMFOPS-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE CCCCCCCC[C@@]1(C)N[C@@H](c2ccccc2)CO1 2240567121 ZPXATTVESIDYRX-MSOLQXFVSA-N 275.436 4.814 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)C[C@@H]1C[C@@H]1CCC 2240645902 ZMIYTTFJJIEFOP-BQFCYCMXSA-N 282.468 4.883 30 10 CJEE N#CC1(Cc2coc3ccccc23)CCC(F)(F)CC1 2241192412 PKUJXSLMVPZYND-UHFFFAOYSA-N 275.298 4.695 30 10 CJEE N#C[C@@H](CSCCC1CCC1)C1CCCCC1 2249210519 GBPVNTXKXQGQGG-HNNXBMFYSA-N 251.439 4.630 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@H]1O 2250035643 BVQZKJMPZHDWAQ-HUUCEWRRSA-N 256.455 4.550 30 10 CJEE CCCCCCCC(=O)[C@H]1CC(F)(F)C12CCC2 2254904928 OXNQFPPDTHOWLD-GFCCVEGCSA-N 258.352 4.742 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)c1csc(Cl)c1 2256707942 YAXYNBQBZCEIQV-ZDUSSCGKSA-N 281.852 4.658 30 10 CJEE C=CCCCOC(=O)C=Cc1ccc(Cl)c(Cl)c1 2257408010 ZJOFUZSOZHYXKM-UHFFFAOYSA-N 285.170 4.516 30 10 CJEE C=CCCCCCCCSCC(=C)CNC(C)C 2259008921 SBVOEQSZWBMSQC-UHFFFAOYSA-N 269.498 4.800 30 10 CJEE C=C(C)CCCC[C@@H](N)c1csc(C(C)(C)C)n1 2259184820 UCCDTTVTAVENCI-GFCCVEGCSA-N 266.454 4.577 30 10 CJEE C=C(C)CCCCN[C@H]1CCSc2ccccc21 2259210154 GFXNDFPUIBYLKK-HNNXBMFYSA-N 261.434 4.560 30 10 CJEE C=C(C)CCCC[C@H](NC)c1csc(C(C)C)n1 2259231833 QOJAVNGATJMQPR-ZDUSSCGKSA-N 266.454 4.664 30 10 CJEE C=C(F)C[C@H](NCCC)C1CC(CC(C)(C)C)C1 2261194812 CIFLLYBPGKCNKW-NRXISQOPSA-N 255.421 4.690 30 10 CJEE C=C(C)CCCC[C@H](O)Cc1ccc(Cl)c(F)c1 2263384995 FWSCRNNYYGEOCS-ZDUSSCGKSA-N 270.775 4.519 30 10 CJEE CCCCCCCCC[C@@](C)(N)[C@H]1C[C@@H]2C[C@@H]2C1 2263664813 IJEBNPLTUWOPBC-YYIAUSFCSA-N 251.458 4.891 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@H]1SC 2263712856 RETGMTNYALJDJM-ARFHVFGLSA-N 271.514 4.999 30 10 CJEE C=C1CC([C@H](NCCC)c2ccc(F)c(Cl)c2F)C1 2265779439 LEPHSZNUKGBIBD-HNNXBMFYSA-N 285.765 4.625 30 10 CJEE CCCCCCCC[S@](=N)(=O)CC1(C(F)(F)F)CC1 2266538848 LMUBLLPAQSAEBE-IBGZPJMESA-N 299.402 4.736 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)C[C@H]1CCC[C@@H]1C(F)F 2270050761 AZNVGCGAAPRDJV-BARDWOONSA-N 273.411 4.638 30 10 CJEE C=CCCCS[C@@H]1CC2(CCCCC2)CC[C@H]1NC 2271488678 OCKFRNKZKLGMIO-HZPDHXFCSA-N 281.509 4.777 30 10 CJEE C=CCCS[C@@H]1CC2(CCCC2)CC[C@@H]1NCCC 2271585240 LMVDMNXWNJTQQE-JKSUJKDBSA-N 281.509 4.777 30 10 CJEE C=C(C)CCCCN1CCCC[C@@H]1c1nc(C)cs1 2271837947 ZTZXROTZHNWFLK-OAHLLOKOSA-N 278.465 4.725 30 10 CJEE CCCCC#CC[C@H](NCCC)[C@@]12CCC[C@@H]1CC2 2273324428 LTKDWQUUVROTIN-FGTMMUONSA-N 261.453 4.519 30 10 CJEE CCCCCCCCCCC1(N)CC(C)(COC)C1 2273904321 UVYQCHKWXQVAFX-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCN[C@@H](CC#CC1CCCC1)[C@H](C)CC(C)C 2274133120 MNYQCYGGKHTCGH-AEFFLSMTSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@@H](OCCC(=O)O)[C@@H](C)CCC 2275006601 DPVXVFXVNOOWIK-LSDHHAIUSA-N 272.429 4.643 30 10 CJEE C=CCCCCCC[C@H](OCCN)C(C)(C)C(C)C 2276154291 SNMNYHIKFCKWNL-INIZCTEOSA-N 269.473 4.539 30 10 CJEE CCCCCCCCCCC1(OCCN)CC(C)C1 2276667500 AIEIRXTWJZVLLM-UHFFFAOYSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@H](C)NCC[C@H](C)CCO 2278244841 KWVORBMSQAHXQJ-IRXDYDNUSA-N 271.489 4.514 30 10 CJEE CCc1ccc(C#N)c(NCC2CC3(CCCC3)C2)c1 2280009582 CKTVICKFLCLNND-UHFFFAOYSA-N 268.404 4.503 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](C[C@@H]1CCC1(C)C)NC 2280962894 IKPMYPPNGYKLRV-JZXOWHBKSA-N 283.500 4.512 30 10 CJEE CCCCCCC[C@@H](O)C(=O)CC[C@H]1CCCC12CC2 2281443564 XDFOUOZPGWTUIH-HZPDHXFCSA-N 280.452 4.637 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(CCC)cc1 2283534480 ZIRWRXXQZYMTDQ-GOSISDBHSA-N 273.464 4.762 30 10 CJEE NCCCCCCCCCC(=O)C1=CCCCCCC1 2284939817 OEDLKLVMLUFLRN-UHFFFAOYSA-N 279.468 4.916 30 10 CJEE Cc1cc(N[C@H](C)c2cccc(C#N)c2)cc(C)c1C 2286131691 PNTNQRNGYSSFSQ-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE C#CC[C@@H]1CCCN1C(=O)CCCCCCCCCC 2287049089 MPDOOBFISDIBFN-QGZVFWFLSA-N 277.452 4.532 30 10 CJEE C=CCCCCCCCSc1cccc(C[C@H](C)N)n1 2287091062 UPCFFBQCLHECGB-HNNXBMFYSA-N 292.492 4.590 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@@H](O)[C@@H](CC)CCC 2287676204 XXBSSIUUXTYVIL-BZSNNMDCSA-N 283.500 4.678 30 10 CJEE C=CCCCCCCCCCN(C)Cc1nc(C)ns1 2288692954 XKXKMTOCIYELIX-UHFFFAOYSA-N 295.496 4.585 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)c1ccc(C)cc1Cl 2289851906 KQAIHNZIDBXFBW-SFHVURJKSA-N 289.850 4.883 30 10 CJEE CCCCC1CCC([C@H](N)CC#CC2CCCC2)CC1 2289883295 RVSBKRXBIGJOPO-CTWPCTMYSA-N 275.480 4.894 30 10 CJEE O=C(CC#CC1CCCC1)[C@H]1C[C@H]1C1CCCCCC1 2289924092 GQFUMNPDTZGLJQ-ROUUACIJSA-N 272.432 4.746 30 10 CJEE C=CCCCC[C@@H](OCC(=O)O)c1csc(C2CC2)c1 2291471264 CHRFSPGUZVZGBV-CQSZACIVSA-N 294.416 4.514 30 10 CJEE C=CCCCC[C@@]1(OCCCN)CCCCCC1(C)C 2293285017 ACFAGAIHJJZQQH-GOSISDBHSA-N 281.484 4.827 30 10 CJEE C=CC[C@H](C)C1(OCCN)CCC(C(C)(C)CC)CC1 2293509739 CTXSKINJUUILNQ-HJOIGYKYSA-N 281.484 4.539 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)c1ccc(C)s1 2293574532 VIRXOWDXWVZBBV-QGZVFWFLSA-N 297.508 4.998 30 10 CJEE CCCCCCCC[C@](C)(OCCCN)c1ccoc1 2294286645 ZEIVVMBSWXGLDT-KRWDZBQOSA-N 281.440 4.611 30 10 CJEE C=C[C@](C)(CNCC)Cc1c(C)c(C)c(C)c(C)c1C 2294726903 JVYLZWBPDANRSB-IBGZPJMESA-N 273.464 4.573 30 10 CJEE CC[C@@H]1CCC[C@@H]([C@@H](O)C#Cc2ccccc2Cl)CC1 2295205725 YEGUBCKANDUXLN-KYJSFNMBSA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@]1(CN)CC=CCC1 2295589586 KYPUSMQGJPPHCJ-MSOLQXFVSA-N 281.484 4.563 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CC2(COC)CC(F)(F)C2)C1 2295749949 RIABRUKYUHWZPX-UONOGXRCSA-N 285.378 4.549 30 10 CJEE CC(=O)c1c(Cl)cccc1Oc1ccc(C#N)c(C)c1 2296397235 RIQQARHEQSDEFQ-UHFFFAOYSA-N 285.730 4.515 30 10 CJEE CCCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2301936791 ZCJVPLFFDDJSLK-SNVBAGLBSA-N 276.829 4.804 30 10 CJEE CC#CCCC[C@@H](O)c1c(Cl)cc(C)cc1Cl 2307626456 OYEIYECNAJWKRG-CYBMUJFWSA-N 271.187 4.529 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)CC1CCCCCC1 2316930007 VAYMDXOZQMYCAD-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE C=C[C@@H](C)C[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2318628989 HTQOZWVEBYAHPJ-ABAIWWIYSA-N 286.246 4.856 30 10 CJEE C=C(C)C[C@H](NCC)c1c(Cl)ccc(Cl)c1OC 2319295430 GJGOACURAZMKAU-LBPRGKRZSA-N 288.218 4.619 30 10 CJEE C=C(C)CCCCN(C)C[C@H]1CC[C@@H]1C(C)(C)C 2320194033 GHJIZRRELXEENT-CVEARBPZSA-N 251.458 4.737 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(Cl)c(C)c1 2321099786 VKWXTCLTIWUSQL-CVEARBPZSA-N 265.828 4.511 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCC)c1csc(CC)c1 2321101162 HRAFEVDBFPNZIP-CVEARBPZSA-N 265.466 4.954 30 10 CJEE CC(C)(C)[C@](C)(CS)COc1cccc(Cl)c1F 2327100314 PSQPGERLTOALMK-AWEZNQCLSA-N 290.831 4.840 30 10 CJEE CC(C)(C)[C@](C)(CS)CO[C@@H](CC1CC1)C1CC1 2327115947 PIGTVVYTWNPKBF-HOCLYGCPSA-N 270.482 4.564 30 10 CJEE C=C(C)C[C@H](NCC)c1cccc(SC(C)C)c1 2327767181 NTTWSHYLMZGPJE-INIZCTEOSA-N 263.450 4.804 30 10 CJEE CC(=NOCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 2330492498 AQHWKSVOKSOHCA-UHFFFAOYSA-N 295.716 4.559 30 10 CJEE C=CCCCCCCCC[C@]1(N)C[C@@H]2C[C@H]1C[C@@H]2F 2333365873 XZBRMSBPQPBVGC-QAETUUGQSA-N 267.432 4.759 30 10 CJEE C=CC[C@H](C)S[C@@H]1CC2(CCCCCC2)CC[C@@H]1N 2335103495 MKJUVPRZPYQMAH-HRCADAONSA-N 281.509 4.905 30 10 CJEE C=CCC(CC=C)Sc1ccc(CNCCC)cc1 2335235412 OUDVEVJZUYITOW-UHFFFAOYSA-N 275.461 4.799 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(C)c1 2337112131 CFYIBICBXCIVAD-JFIYKMOQSA-N 257.421 4.699 30 10 CJEE C=CCC(CC=C)[C@H]1C[C@H](NCC)CC2(CCC2)C1 2338659484 GWIHHYIQOQXOKW-IRXDYDNUSA-N 261.453 4.703 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@H]1C(C)=CCC[C@H]1C 2338690059 BWZNEAWHZNXWGY-NXHRZFHOSA-N 261.453 4.725 30 10 CJEE C=CCC(CC=C)[C@@]1(CNC2CC2)CCCC1(C)C 2338742731 YDFLBUCYEWUOSS-SFHVURJKSA-N 261.453 4.703 30 10 CJEE C=CCCCCCCNc1ccc(N)c(C(F)F)c1 2339101449 FLZRYJZWLZWGIV-UHFFFAOYSA-N 268.351 4.755 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC(C)(C)c1ccccc1 2344343146 NEEGKIFGJGGBSF-AEFFLSMTSA-N 259.437 4.674 30 10 CJEE C=CCC(C)(C)[C@@H](C[C@]1(C)CCCCC1(F)F)NC 2344345932 YTUXNBPBOXVCMZ-HIFRSBDPSA-N 273.411 4.782 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1c(C)cc(C)cc1F 2344346742 VNCLPLRSSVGCPH-CXAGYDPISA-N 263.400 4.695 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](CC#CC1CCCCC1)NC 2344385912 SKBQGEXLDWFNLX-QZTJIDSGSA-N 261.453 4.541 30 10 CJEE CN(CC1(CS)CC(C)(C)C1)C1CCC(C)(C)CC1 2345010500 MAPLFZIHKLACEW-UHFFFAOYSA-N 283.525 4.623 30 10 CJEE CCCCCCC[C@@](C)(N[C@@H](C)C(CC)CC)C(=O)O 2353866967 GTPOHFLWOLBJIF-WMLDXEAASA-N 285.472 4.605 30 10 CJEE C=C(c1ccccc1)[C@@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCC 2357492005 HHRHWZDWAFLIAE-AKHDSKFASA-N 269.432 4.504 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1OC[C@@H]2CCC[C@H]12 2358461473 MDCUXCBZBCIUJY-XSLAGTTESA-N 281.484 4.530 30 10 CJEE C=CCC(CC=C)N[C@@H](C)c1ccc(OC(C)C)cc1 2360210826 YJKBZZUNCAJQAY-HNNXBMFYSA-N 273.420 4.645 30 10 CJEE C#Cc1cccc(N[C@@H](CC)c2ccc(CC)cc2)c1 37223540 PCCBYTRQKGFNOU-IBGZPJMESA-N 263.384 4.794 30 10 CJEE N#C[C@@H](Nc1ccccc1)c1cccc2ccccc12 37935327 URNRLMOEGXLOEB-GOSISDBHSA-N 258.324 4.517 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C(C)C)cc2)c1 37936816 GXZIURAJQZYCDD-GOSISDBHSA-N 264.372 4.795 30 10 CJEE N#Cc1cccc([C@H](C#N)Cc2cccc3ccccc23)c1 57739234 XJHHQCRNNXOYEW-IBGZPJMESA-N 282.346 4.561 30 10 CJEE Nc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 58826016 JFCXQNLIZUSWRK-OVCLIPMQSA-N 299.373 4.832 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(OC)cc1 59089799 GGUYICXVAZCQBD-HNNXBMFYSA-N 263.425 4.534 30 10 CJEE CCCCCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C#N 59187917 UUSGDTJPNMJELH-ARFHVFGLSA-N 251.414 4.692 30 10 CJEE N#Cc1c(F)cccc1Nc1cc(Cl)ccc1Cl 71631492 PYQFSQGDWOGVMZ-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426706 UNMNKQLYDCBUSL-OUCADQQQSA-N 294.851 4.936 30 10 CJEE Cc1nc(-c2ccc(Cl)cc2Cl)sc1CS 82421273 FVEVKKPAMZSPRW-UHFFFAOYSA-N 290.240 4.855 30 10 CJEE CCCc1nc(CSc2ccc(C)cc2)sc1C#N 82427718 SVVQAIFRCRFQJT-UHFFFAOYSA-N 288.441 4.568 30 10 CJEE CC(C)c1nc(CSc2ccccc2)sc1CC#N 82430124 QLWSIXMPOAEQBS-UHFFFAOYSA-N 288.441 4.625 30 10 CJEE CC(C)(C)c1cc(CC#N)c2cc(Cl)cc(Cl)c2n1 82467966 LAHQQJZZXCAOHE-UHFFFAOYSA-N 293.197 4.905 30 10 CJEE CC(C)(C)c1nn(-c2ccccc2)c2c1[C@H](CC#N)CCC2 82825743 PHBMJHDJWXBNJK-AWEZNQCLSA-N 293.414 4.503 30 10 CJEE C=C(C)Cn1cc(CN[C@H](C)CC)c2cc(Cl)ccc21 84832805 XCHNMLDBCMHOHX-CYBMUJFWSA-N 290.838 4.759 30 10 CJEE CCCCCCCCCCCCN(CCC(=O)O)C1CC1 88230955 QQVYEGMRCIIULH-UHFFFAOYSA-N 297.483 4.846 30 10 CJEE C[C@H](CCS)CCOc1ccc(Cl)c2cccnc12 94583146 GSAVDDKXEDJNHJ-NSHDSACASA-N 295.835 4.613 30 10 CJEE CCCCCCCNCCOc1ccccc1C(C)C 100027096 CPYXARLYTZVBHE-UHFFFAOYSA-N 277.452 4.749 30 10 CJEE CC[C@@H]1O[C@H]1C[C@@H](C)c1cc(Cl)cc(Cl)c1 107500667 QOYIPYQBWHNSPN-JCOFBHIZSA-N 259.176 4.664 30 10 CJEE CCCCCCCCO[C@H](c1ccc(C)cc1)[C@H](C)N 109988842 PZHZMFOJBQYCRD-WMZOPIPTSA-N 277.452 4.760 30 10 CJEE CCCCCCCOc1ccc(Cl)c(CNC(C)C)n1 110156975 UMSIBAZRBOUSFP-UHFFFAOYSA-N 298.858 4.582 30 10 CJEE Cc1cc(C)cc(Oc2ccc(Cl)cc2C#N)c1 110260949 SHGIZLYHXYAZJW-UHFFFAOYSA-N 257.720 4.621 30 10 CJEE CCCCCCCC[C@@H](NC)c1ccc(F)c(F)c1 112890884 HYYNPBDMPJAVHN-MRXNPFEDSA-N 269.379 4.976 30 10 CJEE CCCCCCCCCN1C[C@@](C)(CC)NCC[C@@H]1C 114349838 YZRNICWYXUDDIF-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCN1C[C@](C)(CC)NCC12CCCC2 115241977 VFWHLVXXWHMQLN-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC(=O)Nc1ccc2c(c1)CCCN2 115855598 ZJXDJVUNBUQNNV-UHFFFAOYSA-N 288.435 4.734 30 10 CJEE CCCCCCCCO[C@H]1C[C@@H](NCC)C12CCCC2 117341573 AXCVTAMVDVOUCJ-SJORKVTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@@](C)(CC)N(C)C 118152046 WKAVKDKXXVEUKM-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE Cc1oc2ccccc2c1CNc1cc(C#N)ccc1Cl 123354430 CGMUFBWEGCHODQ-UHFFFAOYSA-N 296.757 4.878 30 10 CJEE CCCCCCCCC[C@H](NN)c1cccc(CC)c1 124289908 VXWIYSOBLJIBHS-SFHVURJKSA-N 276.468 4.894 30 10 CJEE CC1(C)CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 125664901 MTDMUYUAPFSDNL-CYBMUJFWSA-N 276.811 4.982 30 10 CJEE Cc1ccc(C2CC(Nc3cc(C#N)ccc3Cl)C2)cc1 127785491 NZFFNLTYZUOQBP-UHFFFAOYSA-N 296.801 4.878 30 10 CJEE C=C(CN[C@H](CC)C1CCCCC1)c1ccccc1 134364234 BFPRDUMLAUQXQV-GOSISDBHSA-N 257.421 4.648 30 10 CJEE CCCC(CS)(CCC)CN1[C@@H](C)CC[C@@H]1CC 136774496 YXHPPITZKCFQPQ-GJZGRUSLSA-N 271.514 4.766 30 10 CJEE CCCCCCC[C@@](C)(O)c1cc(F)cc(F)c1 148275007 RCPWKUSUEIQBEX-OAHLLOKOSA-N 256.336 4.533 30 10 CJEE C[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC1 158333521 YZFDQWANNUJQAX-RISCZKNCSA-N 296.336 4.958 30 10 CJEE N#Cc1ccc(COCc2cccc(Cl)c2)c(Cl)c1 162993447 XSTOPMOVEIQQEM-UHFFFAOYSA-N 292.165 4.582 30 10 CJEE C[C@H]1CC[C@](O)(C2(C#N)CCCCCC2)c2ccccc21 164430858 HJCMYUOEQLYUPJ-HNAYVOBHSA-N 283.415 4.636 30 10 CJEE C=CCC[C@@H](NCCC)c1cc(C)ccc1Br 167781614 IIEXYWPYMPXMHX-OAHLLOKOSA-N 296.252 4.764 30 10 CJEE CC[C@H]1CCCCN1[C@@H](C#N)c1ccc(C(C)(C)C)cc1 212963495 UGFRTJZBPXKDOD-ROUUACIJSA-N 284.447 4.813 30 10 CJEE C=CCCCCC[C@H](O)c1cccc(Cl)c1C 220595341 NAAGAFNMXHZFRM-HNNXBMFYSA-N 252.785 4.818 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N2CCCCCCC2)C1 222205408 HWUQLYVHHKNDLN-KURKYZTESA-N 290.495 4.997 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cccc(F)c1C#N 223749104 LDQQFAMZXGAHKI-IGCXYCKISA-N 275.367 4.537 30 10 CJEE CCCCCCCNc1c(F)c(F)cc(F)c1F 232270452 NFRPCZKQSRMJPT-UHFFFAOYSA-N 263.278 4.625 30 10 CJEE CCCCCCCCCCN(CCC)C[C@@H]1CCCN1 232929618 PFXPWMJWTISXGH-SFHVURJKSA-N 282.516 4.591 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccncc1Cl 233546688 UMODBKCUCNCQMT-HNNXBMFYSA-N 266.816 4.522 30 10 CJEE C=CCCCCC[C@@H](NCC)c1snnc1C(C)(C)C 233611060 JCYBOHJESJSVEN-CYBMUJFWSA-N 295.496 4.623 30 10 CJEE C=CCCCCCOc1ccc(Cl)cc1[C@@H](C)O 235243652 KKZMPRMEISBGQD-GFCCVEGCSA-N 268.784 4.519 30 10 CJEE C[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)c(F)c2)C1 235610510 URJCZZASDBYQKR-NHYWBVRUSA-N 265.759 4.742 30 10 CJEE CC[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)CC1 251764992 MBQPFHRCFVQHAO-RKVPGOIHSA-N 270.420 4.568 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cc(C)ccc1C(C)=NO 252461357 FDQUZVZAGHLQBC-GDBMZVCRSA-N 275.392 4.541 30 10 CJEE CC(C)c1ccc(C=Nc2sc3c(c2C#N)CCC3)cc1 252605355 GJNFINBNRXQOQQ-UHFFFAOYSA-N 294.423 4.982 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CC[C@@H](C)[C@H](C)C2)C1 253063313 GOLDBZOLRDXQTQ-DUQPFJRNSA-N 290.495 4.709 30 10 CJEE N#CC1(c2ccc(SCC3CC3)cc2)CCCCC1 260460757 JEZXETDFDIFVDG-UHFFFAOYSA-N 271.429 4.914 30 10 CJEE O=C(C1=CCCCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 300134778 IQSIUKUAHMJAKL-CHWSQXEVSA-N 274.326 4.815 30 10 CJEE C=CCCCN[C@@H](c1ccco1)c1ccc(Cl)s1 310802991 YQPKCEUKAHMLEH-AWEZNQCLSA-N 281.808 4.640 30 10 CJEE C[C@H]1C[C@@H](n2ccc3cc(C#N)ccc32)CC[C@H]1C 311268035 PTOPIUXFBMADCX-WWGRRREGSA-N 252.361 4.510 30 10 CJEE C=CCCCCCCN[C@H]1C[C@@H](C)c2ccccc21 311448827 RMYJZAZAVJUMQF-QAPCUYQASA-N 257.421 4.961 30 10 CJEE CC(C)(C)C1CCC(c2nc(CCC#N)cs2)CC1 311452896 MBAMMHKUOLQYHM-UHFFFAOYSA-N 276.449 4.919 30 10 CJEE CCCCCCCC[C@H](NC)c1cnc(C)c(C)c1 311850545 OOAOYCYULZDGMT-KRWDZBQOSA-N 262.441 4.710 30 10 CJEE C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CCC2(CCCCC2)O1 316947189 HOWIPURXPSBLJI-ZACQAIPSSA-N 278.436 4.654 30 10 CJEE C[C@H]1C[C@H](C2(C=O)CCC(C)(C)CC2)CC[C@H]1C 318867617 DBRTYYIAOIIZMW-QLFBSQMISA-N 250.426 4.844 30 10 CJEE O=C(C=C1CCCCC1)CC/C=C\c1ccccc1 324115508 HCXCQDSRDQFFGL-XFFZJAGNSA-N 254.373 4.940 30 10 CJEE CCCCCCCC[C@H](O)c1coc(Br)c1 378983061 UTMNYRGPHXAVJB-LBPRGKRZSA-N 289.213 4.826 30 10 CJEE C=CCCCCCCN[C@@H]1CCSc2ccccc21 388363805 GLWJSYRKZFDFGV-MRXNPFEDSA-N 275.461 4.950 30 10 CJEE CC(C)C1CCC(C#N)([C@H](O)c2sccc2Cl)CC1 394086608 NEQMIPWBMYGUGA-XGTXGMFGSA-N 297.851 4.791 30 10 CJEE N#Cc1ccc(CNc2ccc3c(c2)CCCCC3)s1 404631148 GXFMTZQRJFDTHN-UHFFFAOYSA-N 282.412 4.501 30 10 CJEE CC(C)(C#N)CCCCSCCOc1ccc(F)cc1 435882447 TZMALTNZXYGPJK-UHFFFAOYSA-N 295.423 4.658 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)N1[C@@H](C)C[C@@H]1C 548087705 JQEACJFCVCIGCJ-KBPBESRZSA-N 286.419 4.553 30 10 CJEE CCCCCCC[C@H](N)c1cc(C)cc(OC)c1C 686625782 MWACDTIQKRMODT-INIZCTEOSA-N 263.425 4.672 30 10 CJEE C#CCCCCCC(=O)c1cccc2ccccc12 686692525 IAANXHIKLOOHGO-UHFFFAOYSA-N 250.341 4.606 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)CC1(c2ccccc2)CCCC1 686745659 YNMPMSYKFCNCKW-VQIMIIECSA-N 270.416 4.894 30 10 CJEE N#C[C@@]1(CCCC2CCC2)CCCc2ccccc21 688867810 JXESAEWBLYSFDW-GOSISDBHSA-N 253.389 4.755 30 10 CJEE CCCCCCCC[C@@H](CCCOC(C)C)NC 689543367 KZIWTPZWXMABBB-INIZCTEOSA-N 257.462 4.530 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c(F)cccc21 692213818 IORVBHXOMINFEH-JEBQAFNWSA-N 273.395 4.538 30 10 CJEE C[C@H](NCCCC1CCCCC1)c1cccc(C#N)c1 694009655 KRXHHBQZBCCFLX-HNNXBMFYSA-N 270.420 4.569 30 10 CJEE C=C(C)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695060569 GYYNBYSNEYNEAM-CYBMUJFWSA-N 291.744 4.976 30 10 CJEE C=CCCSCCN[C@@H](C)c1ccc2c(c1)CCCC2 696063886 UVXTXBGKDVCSCI-HNNXBMFYSA-N 289.488 4.525 30 10 CJEE CCCCCCCC[C@@H](O)CC[C@H](CCC)CCN 696284338 YSJNXJCQNMKNCY-DLBZAZTESA-N 271.489 4.643 30 10 CJEE C#C[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(C)(C)C 702283469 ZDJWOOSSEYUKID-YOEHRIQHSA-N 257.421 4.509 30 10 CJEE CC(C)CCCCOc1cccc(Br)c1C#N 703568150 GITAISMSHCDIRL-UHFFFAOYSA-N 296.208 4.526 30 10 CJEE CCCCCCCN[C@H]1CCc2cc(Cl)ccc21 703764974 HCVABQKTLPIZJY-INIZCTEOSA-N 265.828 4.887 30 10 CJEE CCCCCCCCCCCCNC1CC(N(C)C)C1 706101629 KGRMTDDZMAEKAX-UHFFFAOYSA-N 282.516 4.590 30 10 CJEE CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCCC(C)(C)C1 708583183 DWGBJQCQTSDREC-HNNXBMFYSA-N 290.838 4.612 30 10 CJEE CC(C)C(C)(C)CSc1ccc(C#N)c(Cl)c1 718784864 ADXFNNYRAQICRE-UHFFFAOYSA-N 267.825 4.986 30 10 CJEE CCCCCCCCCC(=O)C[C@H]1C[C@@H](OC)C1 721133253 IKYSTGBNRKWMLB-FZNQNYSPSA-N 254.414 4.511 30 10 CJEE CC(CC(C)(C)c1ccccc1)=NNc1ccc(C)cn1 727260253 UKYRBPNPZBJNJI-UHFFFAOYSA-N 281.403 4.546 30 10 CJEE C/C(=C/C(=O)N[C@@H](CCCC#N)c1ccccc1)C(C)(C)C 817320166 ZBPZBVGPPQTRNW-XUZQSEFNSA-N 298.430 4.530 30 10 CJEE C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1 1084277822 WSKZYRVNVXGUFZ-UHFFFAOYSA-N 287.322 4.574 30 10 CJEE Oc1cc2ccccc2cc1C=NNc1cccc(Cl)c1 1084598975 KUGDMNBNBSISDE-UHFFFAOYSA-N 296.757 4.645 30 10 CJEE C=CCC1(C(=O)NC2CCC(C(C)C)CC2)CCCCC1 1126968773 KDBAIHRLDAQGRZ-UHFFFAOYSA-N 291.479 4.844 30 10 CJEE 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2275489625 RNNQXWSZHSLKFB-UHFFFAOYSA-N 270.413 4.563 30 10 CJEE CCCCCCCC[C@]1(OCCCN)CCC1(C)C 2276605148 JSFMYBPTOYLQIM-KRWDZBQOSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](CCSCC)OCCN 2276634306 BPAUMSFDGMVOAK-INIZCTEOSA-N 289.529 4.614 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)[C@H]1CC[C@H](C(F)(F)F)CC1 2279601160 JHOGPIXRPORVSJ-TUVASFSCSA-N 291.401 4.936 30 10 CJEE Cc1cc(NC2CCC(C(C)C)CC2)cc(C)c1C#N 2280561746 NEYYEZZYIWDDDY-UHFFFAOYSA-N 270.420 4.802 30 10 CJEE N#C[C@]1(C[C@@H]2CCC23CCC3)CCCc2ccccc21 2280998237 KRTVZQDNBVIAAU-QFBILLFUSA-N 265.400 4.755 30 10 CJEE CCCCCCCCCOCCCCC1CCNCC1 2283201692 GWNOKOAEHFXPTJ-UHFFFAOYSA-N 283.500 4.924 30 10 CJEE C=C(C)CCCC[C@@]1(CNCCOC)CC[C@H](CC)C1 2287371857 GPRQAXSJXDRKSC-ZWKOTPCHSA-N 281.484 4.555 30 10 CJEE C=C(C)CCCC[C@H](NCC)[C@H](O)C(CCC)CCC 2287388493 SPHCSOBSZASXID-ZWKOTPCHSA-N 283.500 4.678 30 10 CJEE C=C(C)CCCC[C@H](NCCC)[C@@H](O)CCCCCC 2287393416 YXUBMIKHZQTPGC-ROUUACIJSA-N 283.500 4.822 30 10 CJEE C=C(C)CCCC[C@H](NCCC)c1ccn(C(C)C)n1 2287409800 ZHSSHICBDYFYQL-INIZCTEOSA-N 277.456 4.641 30 10 CJEE CCCCCCCCCC[C@@H](O)CNCC1CCCC1 2288124756 RUWPCYFFDVPVCO-GOSISDBHSA-N 283.500 4.658 30 10 CJEE C=C[C@H](C)CCN(C)c1cccc(Cl)c1[C@@H](C)NCC 2288887077 CSTFGCZUEGFQBF-UONOGXRCSA-N 294.870 4.659 30 10 CJEE CCCN[C@@H](C#CC1CCCCC1)[C@H]1CCC12CCC2 2289717874 YYPADJRAKMOYCY-MSOLQXFVSA-N 273.464 4.519 30 10 CJEE C(#CC1CCCC1)CNc1ccc2c(c1)CCCCC2 2289844696 OPJQIGZULDZILR-UHFFFAOYSA-N 267.416 4.561 30 10 CJEE CC1(C)CCC(C)(C)[C@@](O)([C@@]2(C#N)CCCC2(C)C)C1 2290266888 KHXNUMXWTXXZOK-QZTJIDSGSA-N 277.452 4.674 30 10 CJEE C=CCCCCC[C@H](OCCN)c1ccc(F)c(Cl)c1 2292884974 KPCMMLHOYUCPML-INIZCTEOSA-N 299.817 4.632 30 10 CJEE CCCCCCCCC[C@H](OCCN)[C@H]1[C@@H](CC)[C@H]1C 2293009782 VSGFYTQZRLBRHS-VSZNYVQBSA-N 283.500 4.763 30 10 CJEE C=C(C)CCCC[C@@]1(OCCCN)C=CCCC1(C)C 2293585744 ZPJXTNRQPWIFEE-GOSISDBHSA-N 279.468 4.603 30 10 CJEE CCCCCCCC[C@]1(OCCN)CCCC2(CC2)C1 2293716131 ANOGPILENSMEHH-SFHVURJKSA-N 281.484 4.805 30 10 CJEE C=CCCCCCCC[C@H](OCCN)[C@H](C)C(C)(C)C 2293785872 VMUHIZACENPMTO-IRXDYDNUSA-N 283.500 4.929 30 10 CJEE C=C(CC)C[C@@]1(OCCN)CCCC2(CCCCC2)C1 2294167347 RUCCWMDTKJMSDN-SFHVURJKSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@H](N)[C@@H]1CCC[C@H]1C 2295674804 VMUFREKWLHTDSU-TVFCKZIOSA-N 283.500 4.642 30 10 CJEE CCCCCCCCC[C@]1(C)C(=O)CCN1[C@@H](C)CC 2295676792 OLMRTWFWIOPNGB-FUHWJXTLSA-N 281.484 4.959 30 10 CJEE CCCCCCCCC[C@H](C)NCCc1ccncc1 2295687382 TVVOAHVKLXPWBG-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCCC[C@H](CC)CS[C@@H]1CC[C@@](C#N)(NCC)[C@H]1C 2295711456 OOTBHWXHBCDRGV-NXOAAHMSSA-N 296.524 4.606 30 10 CJEE O=C(C=Cc1ccccc1)c1cc(F)cc(C(F)(F)F)c1 2297630820 RZYHJYWKTVZHFT-UHFFFAOYSA-N 294.247 4.741 30 10 CJEE C=CCCCCCCC[C@@H](NCC)[C@@H](C)SC 2299417675 OXEGZQJJNOUXSN-HUUCEWRRSA-N 257.487 4.633 30 10 CJEE CCC[C@@H](CC)COCC1(CS)CC(C)(C)C1 2307921267 AUMCHSAAZHUDBE-CYBMUJFWSA-N 258.471 4.566 30 10 CJEE CCCCCCCCC[C@H](N)[C@@H]1C[C@H]2CC[C@@H]1C2 2313173592 COSQPFLTZSSFJH-HZMVEIRTSA-N 251.458 4.891 30 10 CJEE C=C(C)CCCC[C@@H](NC)[C@@H]1CCC[C@H]1C(C)C 2313216651 OZTDFIURLVOUIG-GVDBMIGSSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCN1C[C@H](SC)CC1(C)C 2313763509 WHUBBARFFBWXPY-OAHLLOKOSA-N 271.514 4.953 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](c1cccs1)C1CC1 2315422756 ULELOWRKEBMXDS-IVMMDQJWSA-N 261.434 4.534 30 10 CJEE C=CC[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 2315466668 YNCGVBNRRQGPES-WFASDCNBSA-N 284.230 4.828 30 10 CJEE C=CC1(C[C@H](N)c2ccc(F)c(C)c2Cl)CCC1 2316589584 JBGXLSOWUFRWTQ-ZDUSSCGKSA-N 267.775 4.534 30 10 CJEE C=CCC(CC=C)C(=O)c1c(F)ccc(C)c1Cl 2316712516 OZYKJWQHJRAVKD-UHFFFAOYSA-N 266.743 4.739 30 10 CJEE CCCCCCCOc1ccc(N)c(C(F)F)c1 2317026778 WHGJUILDRZAOHY-UHFFFAOYSA-N 257.324 4.556 30 10 CJEE C[C@H]1C[C@H](C)C1C1(C=O)CCC(C(C)(C)C)CC1 2317082779 HRKCBIOOJXQHJG-YRFCHQJDSA-N 250.426 4.700 30 10 CJEE CC(C)(C#N)CCCCOC[C@@H]1CCC(C)(C)C1 2319027214 QTGPKKZUMLFAKT-CQSZACIVSA-N 251.414 4.549 30 10 CJEE C=CCCC[C@H](NCCC)[C@@H]1CC[C@@H]1C(C)(C)C 2320102660 FLQBZWJCRDIEGY-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CC[C@H](C)[C@H](CC[C@@H]1CCC[C@@H](C)C1)NCC 2321100714 DNPHBCORDWOJFK-QZWWFDLISA-N 251.458 4.783 30 10 CJEE C=CCCCCC[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)NCCC 2328642148 JWZQDYZJFZKRLZ-XWTMOSNGSA-N 263.469 4.927 30 10 CJEE C=C(C)CC[C@@H](NCC)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2329822920 YABVBKQPXBDYTM-XLAORIBOSA-N 263.469 4.927 30 10 CJEE CC(C)[C@H]1CC=C(C(=O)C[C@H]2CCC[C@@H]3C[C@H]23)CC1 2331318036 XLQJPJPOKJMFFU-SVGFKBNWSA-N 260.421 4.764 30 10 CJEE C=CCCCCCCC[C@@H](NC)[C@@H]1CC[C@@H]2C[C@@H]2C1 2333706711 VPNKGSZDWIAYMF-BRSBDYLESA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H]1CC[C@@H](C)[C@H](NCCC)C1 2335097687 AWCSBCXTKGZQCF-DJIMGWMZSA-N 281.509 4.797 30 10 CJEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cccc(F)c1 2335103561 NOAHDJRVLRUUMY-CZUORRHYSA-N 281.440 4.564 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1cc(F)cc(Cl)c1 2337079911 ZPBKJUYYHPMFNQ-BFQNTYOBSA-N 281.802 4.875 30 10 CJEE CC(=CC[C@]1(C=O)C[C@H](C)O[C@@H]1C)CCCC(C)C 2338451325 BWXNCTYOYLCLAH-GVDBMIGSSA-N 266.425 4.532 30 10 CJEE C=CCC(CC=C)Oc1ccc(CC(F)(F)F)cc1 2338677428 NNTNWYKRVVDJNI-UHFFFAOYSA-N 270.294 4.691 30 10 CJEE C#CC(C)(C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341115084 UPOMAQMFAFEVRP-HNNXBMFYSA-N 298.257 4.564 30 10 CJEE C=C1C[C@@H]1[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2342325014 ADALDZDITHEPCK-WCQYABFASA-N 289.728 4.586 30 10 CJEE CC(C)c1cccc(C[C@]2(C=O)CCCC[C@@H]2C)c1 2343745079 HWOSZXHNGQMXBZ-YJBOKZPZSA-N 258.405 4.748 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Cc2cccc(C3CCC3)c2)C1 2343809944 XSWOVSDERXLNSV-KDOFPFPSSA-N 253.389 4.827 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc2occc2c1 2344339873 MRNNKGJQBQMKKU-INIZCTEOSA-N 257.377 4.686 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](C[C@H]1C[C@](C)(F)C1)NCCC 2344341848 FPHHHPALRFBYNO-QBPKDAKJSA-N 269.448 4.875 30 10 CJEE C=CC[C@](C)(CC)[C@@H](N)Cc1cccc(C(C)C)c1 2344349437 SQMZLLBMNHAMJR-ROUUACIJSA-N 259.437 4.672 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)ccc(F)c1F 2344375700 DIXOBBGQESCAMU-ZUZCIYMTSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@@H](CCCCCCOC)NCC 2344383570 IYDNJZXFSRQNOT-SJORKVTESA-N 269.473 4.554 30 10 CJEE CCCCCCC[C@@](C)(SCCC(C)(F)F)C(=O)O 2352193537 NLZBBWKAYUHFFG-CYBMUJFWSA-N 296.423 4.969 30 10 CJEE C[C@@]12CCCC[C@@H]1C[C@H](Nc1ccc(Cl)c(C#N)c1)C2 2354150707 MIESQELVOGRAPB-KMFMINBZSA-N 288.822 4.982 30 10 CJEE CCCC[C@](C#N)(CC)[C@@]1(O)C[C@@H]2CCCC[C@]2(C)C1 2354662587 POVRTNIRRJEHCT-XWTMOSNGSA-N 277.452 4.818 30 10 CJEE Cc1ccc(/C=N/c2ccc(Br)cc2)s1 516928 DKJNLXLBWKHOFZ-RIYZIHGNSA-N 280.190 4.570 30 10 CJEE CC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 5639218 FMUMSZWKJUETLP-DUXPYHPUSA-N 281.138 4.856 30 10 CJEE CCCCCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 37318227 PPJWXVDFBAYSAU-HUUCEWRRSA-N 258.409 4.568 30 10 CJEE Cc1cc(C)c(N[C@H](C)c2ccc(C#N)cc2)c(C)c1 37763558 LKAOKGQJDUCJTR-OAHLLOKOSA-N 264.372 4.657 30 10 CJEE C=CCn1c(SCc2cccc(C)c2)nc2ccccc21 38981923 DHUANQLATYSHQQ-UHFFFAOYSA-N 294.423 4.823 30 10 CJEE Cc1ccc(OCC[C@H](C#N)c2ccc(Cl)cc2)cc1 57685039 AMRCASDSCJCMCW-OAHLLOKOSA-N 285.774 4.725 30 10 CJEE CC[C@@]1(C)CS/C(=N\c2ccccc2-c2ccccc2)N1 80883157 NUIIQULCQADEAS-SFHVURJKSA-N 296.439 4.846 30 10 CJEE Cc1cc(C(=O)/C=C/c2ccco2)c(C)cc1OCC(C)C 83193726 RWVASOPWVGYDNQ-BQYQJAHWSA-N 298.382 4.827 30 10 CJEE Cc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 83194177 IFMGAPFYUWZFTC-MDZDMXLPSA-N 264.368 4.816 30 10 CJEE C[C@@H]1CC[C@@H](c2nc(-c3cccc(C#N)c3)cs2)C1 87994074 FISDQQCJYVTMOK-BXUZGUMPSA-N 268.385 4.585 30 10 CJEE CC(C)(C)[C@H]1CCCC[C@@]1(O)C1(C#N)CCCCCC1 91876203 XHYWODKUYGHHPI-QAPCUYQASA-N 277.452 4.818 30 10 CJEE N#CC1([C@H](O)c2cccc(Cl)c2Cl)CCCCCC1 91881591 UVLABRGTJMWTCX-CQSZACIVSA-N 298.213 4.891 30 10 CJEE CC(C)N(Cc1cccs1)CC1(CS)CCCCC1 94580907 CVTJSOMHTCXRJD-UHFFFAOYSA-N 297.533 4.839 30 10 CJEE Cc1ccc([C@@H](C)Nc2cccc(Cl)c2C#N)cc1F 94956803 HEJQTDSJHINICX-LLVKDONJSA-N 288.753 4.832 30 10 CJEE CCCCCCCNCc1cccc(OC)c1OC(C)C 100126207 LDXXJSDYLBZSFH-UHFFFAOYSA-N 293.451 4.542 30 10 CJEE CCCCCCCCCN(CC)C(CC)(CC)CN 103990326 QOKNFKIEJFWUDR-UHFFFAOYSA-N 270.505 4.576 30 10 CJEE CC#C[C@H](C)Cc1c(OCC)cc(C)c(Cl)c1C 107623719 RLKGKSOGJRAVBC-NSHDSACASA-N 264.796 4.557 30 10 CJEE CCC#C[C@H](C)[C@@H](C)c1cc(C)c(OCC)cc1C 107652734 CDVDMXKHYBPLAY-XJKSGUPXSA-N 258.405 4.855 30 10 CJEE CCC#C[C@@H](C)[C@@H](C)c1cc(OC)c(Cl)cc1OC 107673962 XNCVFKHEIVXNBO-VXGBXAGGSA-N 280.795 4.510 30 10 CJEE CCCCCCCOc1ccccc1[C@H](O)CCC 107734151 STZNHHGHSQVYIT-MRXNPFEDSA-N 264.409 4.869 30 10 CJEE CCCCCCCCCCOc1cc(N)ccc1OC 109685707 LJKIZJWSMFYWLS-UHFFFAOYSA-N 279.424 4.797 30 10 CJEE CCCCCCCCOC[C@@H](O)c1cc2ccccc2o1 110023298 VSSMVCGYRLCUFD-MRXNPFEDSA-N 290.403 4.843 30 10 CJEE CCCCCCCc1nc(C2CC2)n(CC(C)C)c1N 110056258 SPHTTZGSHDBRRE-UHFFFAOYSA-N 277.456 4.512 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccc(C)cc1C 110081350 HPILBTLXMSNCLC-IBGZPJMESA-N 291.479 4.941 30 10 CJEE CCCCCCCCO[C@@H](C)[C@H](NC)c1ccccc1 110084051 RJDOAWMUJZUSIQ-WMZOPIPTSA-N 277.452 4.713 30 10 CJEE CCCCCCC[C@H](CNCC)Cc1ccc(F)cc1 110187155 IDGXHUDEBJUAAD-KRWDZBQOSA-N 279.443 4.954 30 10 CJEE CCCCCCC[C@H](Cc1cc(C)cc(C)c1)NC 110446622 IEGDKKBVXRLLDH-GOSISDBHSA-N 261.453 4.794 30 10 CJEE CCCCCCCCCCN1C[C@H](C2CC2)NCC[C@@H]1C 114079445 XPKCLOJZQLRWGB-PKOBYXMFSA-N 294.527 4.590 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2c(c1)OCO2 115652065 GEHKATPQQDXAKG-HNNXBMFYSA-N 278.392 4.589 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2c(c1)CCN2C 115835270 ZUWFHJCPBRTBCD-IBGZPJMESA-N 289.463 4.853 30 10 CJEE CCCCCCCCCCCC(=O)N1CCCC[C@@H]1C#N 115857561 GZZCXFLIZFXBNH-QGZVFWFLSA-N 292.467 4.812 30 10 CJEE CCCCCCCCCCC[C@@H](CCC1CC1)NN 123579344 QOQNEZGHZRHPGZ-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCC[C@@]1(CNC(C)(C)C)CCO[C@@H]1C 125649874 QTJYIRAWSKJMHK-AEFFLSMTSA-N 283.500 4.920 30 10 CJEE CCCCCCCNc1ccc(OCC)c(F)c1 126342888 DKSXLQXKNFSFMA-UHFFFAOYSA-N 253.361 4.607 30 10 CJEE CCCCCCC[C@H](NCCC)[C@]1(C)CCCCO1 127567001 YZTHXWJNJZQFQK-IRXDYDNUSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](O)Cc1cc(CC)nn1CC 129008239 TZBSVUKKOGWYPV-GOSISDBHSA-N 294.483 4.510 30 10 CJEE CCCCCCCCCCCCC(=O)[C@@H](C)OC 129142747 PIIRQAIFMQIVKU-OAHLLOKOSA-N 256.430 4.901 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(C2(O)CCC3(CCCC3)CC2)C1 130477106 JVIZXQJPNVMXFD-NVXWUHKLSA-N 275.436 4.572 30 10 CJEE CCCCCCCC[C@@H](NCC)c1ccoc1C 132759984 ZUMXTGDHJHFWIY-MRXNPFEDSA-N 251.414 4.989 30 10 CJEE CCCCCCCCCCCC[C@@H]1CSC[C@@H]1N 134579827 BYPGOYBIKNATSE-CVEARBPZSA-N 271.514 4.988 30 10 CJEE CCCCCCCCCCCCCCN(C)CCO 139274551 IVYVKSPYGLIUQE-UHFFFAOYSA-N 271.489 4.612 30 10 CJEE CCCCCCCCCOc1c(C)cccc1CN 158849161 SIIHRNIQZSEPEG-UHFFFAOYSA-N 263.425 4.583 30 10 CJEE N#Cc1ccc(CNc2ccc(-c3ccccc3)cc2)s1 161105140 FYNCMAZRGKWYOM-UHFFFAOYSA-N 290.391 4.899 30 10 CJEE CCCCCCC[C@H](Cc1ccncc1Cl)NCC 166943873 SSPNCKMYBXFRGK-OAHLLOKOSA-N 282.859 4.616 30 10 CJEE CCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1Cl 167278753 BUVNEWOHSQZDJJ-CYBMUJFWSA-N 298.817 4.939 30 10 CJEE Fc1c(Cl)cccc1OC[C@@H](CS)c1ccccc1 167434046 NQANONCZHXRPGA-LBPRGKRZSA-N 296.794 4.572 30 10 CJEE C=CCCC[C@@H](NCC)c1cc2c(s1)CCSC2 167750363 GLEJYPIQVYGYDP-CYBMUJFWSA-N 281.490 4.544 30 10 CJEE Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccccc1 206628176 CDURYWKGDOEJGE-KHPPLWFESA-N 285.412 4.645 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SC2CCCCC2)C1 225094724 HKYXSSANFUNEMM-IPYPFGDCSA-N 251.439 4.771 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(Cl)c(Cl)c1 229056097 OHLOTKOTVMEEOA-ZDUSSCGKSA-N 258.192 4.610 30 10 CJEE CCCCCCCCCC[C@H](NCC)c1cncnc1 229827542 QXJYZDXUWABSLM-KRWDZBQOSA-N 277.456 4.658 30 10 CJEE O=C1C=C(c2ccc(Cl)c(Cl)c2)CCCC1 230162704 DHWLYAJKYNKOKE-UHFFFAOYSA-N 255.144 4.520 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C)cc1OC 232935222 KYRHPSQDPAKULR-MRXNPFEDSA-N 264.409 4.788 30 10 CJEE CC[C@H](C[C@@H]1O[C@@H]1C)c1cccc(Cl)c1Cl 251057521 HHOZJUUDEGNFSI-LNLATYFQSA-N 259.176 4.664 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N2CCC[C@H](C(C)C)CC2)C1 251241151 ACHNPRNGZUOVSY-HCXYKTFWSA-N 290.495 4.853 30 10 CJEE C=C(CC)CC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1NCC 251254713 WXUKQUQQCUYTHI-BZUAXINKSA-N 251.458 4.783 30 10 CJEE CSc1ccc(C=Nc2ccc(Cl)cc2)cc1 252626272 QZOGGMICPFEAOV-UHFFFAOYSA-N 261.777 4.813 30 10 CJEE Cc1[nH]c2ccccc2c1C=Nc1ccc(Cl)cc1 254846661 OWUXTNOMZDNGIH-UHFFFAOYSA-N 268.747 4.880 30 10 CJEE Cc1c(Cl)cc(Br)cc1C(C)(C)CC#N 260143703 DWFGDNORGWJNGL-UHFFFAOYSA-N 286.600 4.602 30 10 CJEE Cc1cc(C2(CC#N)CC2)cc(F)c1OCc1ccccc1 260560236 FCMFKVLEYQXMQI-UHFFFAOYSA-N 295.357 4.658 30 10 CJEE N#Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1F 302506884 YAGSUBPKHXBECT-UHFFFAOYSA-N 282.101 4.796 30 10 CJEE C=C(C)CC[C@@H](O)c1ccc(OCc2ccccc2)cc1 309801678 JZDSEYXLDACITJ-LJQANCHMSA-N 282.383 4.655 30 10 CJEE CCCCCCCCC[C@@H](N)C(C1CC1)C1CC1 310712847 DIESEMGWFBAGPY-MRXNPFEDSA-N 251.458 4.891 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(C[C@H]2Cc3ccccc32)C1 311396410 SOYMRZAIVLJAJI-QGPMSJSTSA-N 253.389 4.827 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H]1CC2CCC1CC2 313186692 LFRZPLMQYBOPJO-FOIPXRHGSA-N 280.500 4.785 30 10 CJEE CCCCCCCOc1cccc(C=O)c1Br 315319192 HJJAIPYUMWPSAR-UHFFFAOYSA-N 299.208 4.611 30 10 CJEE CCCCCCCC[C@H](NC)c1ccc(C)c(C)n1 316661500 JGIQBUPAJAJIFX-INIZCTEOSA-N 262.441 4.710 30 10 CJEE C=C([C@@H](NCC)c1cccc2ccccc12)C(F)(F)F 380181132 AZYRCSBESOUAAT-OAHLLOKOSA-N 279.305 4.609 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](O)c1cccc(Cl)c1Cl 384969990 IHPFOLHRORSBDB-KMUNFCNLSA-N 298.213 4.747 30 10 CJEE C=CC[C@H](CNCC(C)C)C[C@@H]1CCCC(F)(F)C1 386916017 CWPNAOLEPYCRSL-GJZGRUSLSA-N 273.411 4.640 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@H]2CCCCO2)CC1 388608357 BOAHQXPNMHLSLU-ISXOHVOVSA-N 263.425 4.692 30 10 CJEE CCCCCCCCCC[C@@]1(O)CSC[C@H]1C 393885413 RMUQPPNJTOQUTO-HUUCEWRRSA-N 258.471 4.631 30 10 CJEE C[C@@H](C1CCCCC1)[C@@H](O)C1(C#N)CCCCCCC1 394317590 GOCDYGKWBFWVPP-DOTOQJQBSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@@H](O)c1ncc(C)s1 394728774 PZWBRCMSEUNQKB-CYBMUJFWSA-N 255.427 4.626 30 10 CJEE C=CCCC[C@H](C)NCc1ccc(Cl)c(Cl)c1 398116405 PICMERDPDJALSX-NSHDSACASA-N 272.219 4.828 30 10 CJEE C=CCCC[C@H](C)n1c(=S)[nH]c2cc(C)c(OC)cc21 398292704 ZYSHYMGUUNRAGL-LBPRGKRZSA-N 290.432 4.933 30 10 CJEE C=C(C)C[C@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 464539746 DZEDEBQWKHHWTG-SWLSCSKDSA-N 279.811 4.510 30 10 CJEE C=CCC[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccco1 573731386 CCZVILIHAOTMEO-OKZBNKHCSA-N 281.399 4.680 30 10 CJEE Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 575340871 PQARFBZRLQATHY-UHFFFAOYSA-N 278.142 4.970 30 10 CJEE C#CCCCCC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C(=O)O 686680323 MJKSAUADTPQPFY-OWCLPIDISA-N 278.436 4.733 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@]1(C)CC1(F)F 689122749 FYTDKYMPBQZDLK-KBPBESRZSA-N 261.400 4.890 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1 692275801 PHOLUILVIAQKOO-OWSLCNJRSA-N 261.453 4.680 30 10 CJEE CCCCCCCCOCCC[C@H](O)c1ccccc1 695036623 VCNVTRYDMODBFY-SFHVURJKSA-N 278.436 4.877 30 10 CJEE CCCCCCCCCCCC[C@H](O)CC1(N)CCC1 695924082 FNNHELQEIGDRLN-KRWDZBQOSA-N 283.500 4.930 30 10 CJEE C[C@H]1C[C@@H](C)C[C@H](N(C)CC2(CS)CCCCC2)C1 697666464 PUDBENRDMJDPOY-ZSHCYNCHSA-N 283.525 4.623 30 10 CJEE CCCCCCCNc1cc(Br)cc(C#N)c1 705967383 KULKGWDVGPYOLW-UHFFFAOYSA-N 295.224 4.703 30 10 CJEE C=C(Cl)C[C@@H](NCCC)C1CCC(C(F)(F)F)CC1 710619669 ZOFHUYXBCMHVRN-WXRRBKDZSA-N 297.792 4.866 30 10 CJEE CCCCCCC[C@H](C[C@H]1CC(C)(C)OC1(C)C)NC 711390178 YILMCAMSAYLMNN-JKSUJKDBSA-N 283.500 4.919 30 10 CJEE C=C(Cl)C[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 712578634 GWUOXIQTSPXNIG-LLVKDONJSA-N 298.135 4.762 30 10 CJEE CC1(C)CC[C@@H](CC2(C=O)CCCCCCC2)OC1 714100887 QJKUDBPBOYGBSB-HNNXBMFYSA-N 266.425 4.511 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1CC[C@H]2C[C@H]12 716891358 BZUCTTMEHSNCDV-LUKYLMHMSA-N 251.458 4.891 30 10 CJEE C[C@@H]1CCC[C@]1(C=O)CCc1cc(Cl)cc(Cl)c1 722140420 QZVUGUSTZFAZIW-IAQYHMDHSA-N 285.214 4.931 30 10 CJEE C=C1CCC(CN[C@@H]2c3ccccc3CC2(C)C)CC1 724452061 VKMQVPVBLIAZOP-GOSISDBHSA-N 269.432 4.646 30 10 CJEE C=CCCC[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1 883326659 IGKSSDTVLWEPDR-QFBILLFUSA-N 280.415 4.830 30 10 CJEE C=CCC[C@@H](NC(=O)c1ccc(C)cc1F)c1ccccc1 1127385531 XEGMZIBQLVVNPX-GOSISDBHSA-N 297.373 4.571 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)CCC[C@H]2CC 1134733996 UVXZVGZDGWFIBE-BZNIZROVSA-N 292.448 4.514 30 10 CJEE C=C(CC)C(=O)Nc1ccc(SC2CCCC2)cc1 1137638650 ONXULDCSFMPLPH-UHFFFAOYSA-N 275.417 4.626 30 10 CJEE C=CCN(Cc1ccccc1F)Cc1ccccc1Cl 1167137797 GWUSTXVNEDANPL-UHFFFAOYSA-N 289.781 4.667 30 10 CJEE C=CCC[C@@H](C)NCC1(c2ccc(C)c(C)c2)CCC1 1181323445 KBTLGLKACFWZQQ-QGZVFWFLSA-N 271.448 4.669 30 10 CJEE C=CCCCCC[C@H](C)N[C@H](CC)[C@H]1CC1(C)C 1182443348 IXAWRIAOGLHGIA-ARFHVFGLSA-N 251.458 4.926 30 10 CJEE C=CCCC1(CNc2ccc(Cl)c(C#N)n2)CCCC1 1187013117 AMZNIIWPVBTXIQ-UHFFFAOYSA-N 289.810 4.545 30 10 CJEE C=CCC(F)(F)C(=O)Oc1cc(C)c(C(C)(C)C)cc1C 1287983322 RJGVHZANOOSMBN-UHFFFAOYSA-N 296.357 4.718 30 10 CJEE C=CC1(CC(=O)N2CCC[C@@H](CC(C)C)C2)CCCCC1 1435531651 VAFVGWZEYVPYSM-KRWDZBQOSA-N 291.479 4.798 30 10 CJEE C#Cc1ccc(NCc2cc3ccnc(Cl)c3s2)cc1 1474293318 QXTMNZCREUWWEF-UHFFFAOYSA-N 298.798 4.543 30 10 CJEE C=CC(C)(C)CC(=O)N(CC)C[C@@H](CC)c1ccccc1 1529568493 SEFWZYDWTWUYGP-MRXNPFEDSA-N 287.447 4.631 30 10 CJEE C=CC(C)(C)CCCNC(=O)C[C@H](C)CC(C)(C)C 1537466510 MJUGAKXAIXVJRQ-AWEZNQCLSA-N 267.457 4.557 30 10 CJEE C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1CCC 1539034962 KVGHEANOIZQZSD-RBUKOAKNSA-N 299.458 4.808 30 10 CJEE C#CCCCCCCN[C@H](c1ccc(F)cc1F)C1CC1 1559686275 XLNGODJAOHXBMQ-SFHVURJKSA-N 291.385 4.589 30 10 CJEE C=C1CCC(CNC(=O)C[C@@H](c2ccccc2)C(C)C)CC1 1597398232 VEQAVWGWCZYLQQ-LJQANCHMSA-N 299.458 4.679 30 10 CJEE CCc1ccc(C#Cc2cccc(OC(F)(F)F)c2)cc1 1614825030 METNMYLGDHPCTC-UHFFFAOYSA-N 290.284 4.547 30 10 CJEE C=CCCCCN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C 1618195481 CFEQUJUONGNSAK-JFIYKMOQSA-N 257.421 4.609 30 10 CJEE C=CCCC[C@H](C(=O)NC1CC2(CCC2)C1)c1ccccc1 1640649526 LKHXCNVMBBXUFJ-SFHVURJKSA-N 297.442 4.575 30 10 CJEE C=CCN(CCc1ccccc1)Cc1ccc(C)c(C)c1 1641656878 OUIJTELJVASDED-UHFFFAOYSA-N 279.427 4.534 30 10 CJEE CC#CCN(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 1642922319 WKDIIBUYOHLPSM-KRWDZBQOSA-N 275.823 4.526 30 10 CJEE C=CCCCCCOc1cc(OC)ccc1Br 1643851346 WEBXQTIEOCIMLT-UHFFFAOYSA-N 299.208 4.583 30 10 CJEE C=CC[C@@H]1CCCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 1645064342 WPPIPJNBCGKTKU-BRWVUGGUSA-N 291.479 4.654 30 10 CJEE CCCCCCSc1nc2c(cc1C#N)CCCC2 1651743293 SYAOSHORJXTCJA-UHFFFAOYSA-N 274.433 4.504 30 10 CJEE C=CCCN[C@H](c1ccc(Cl)cc1)C1CCCC1 1653089106 PCBRPCMAQNQYCS-INIZCTEOSA-N 263.812 4.737 30 10 CJEE C=CCCN1CCC(Cc2ccc(C(C)C)cc2)CC1 1654047026 YXDUZQRHUJDOMY-UHFFFAOYSA-N 271.448 4.641 30 10 CJEE C=CCC[C@@H](NCc1ccc(OCC)cc1)c1ccccc1 1657607414 UZBQSVJRZIHRKW-HXUWFJFHSA-N 295.426 4.882 30 10 CJEE C=CCOc1ccc(CN(CC=C(C)C)C(C)(C)C)cc1 1657742271 OCRNBXRRMKYIKD-UHFFFAOYSA-N 287.447 4.818 30 10 CJEE C=CCC1(CNCc2ccccc2Cl)CCCC1 1657955742 GZBQKYMNBSOWLC-UHFFFAOYSA-N 263.812 4.566 30 10 CJEE C=CCC[C@@H](CC)N[C@]1(C)CCCc2ccccc21 1658814168 IBIVHEJZFQYROM-SJLPKXTDSA-N 257.421 4.573 30 10 CJEE C=CCCC(C)(C)CN[C@@H](C)Cc1ccccc1Cl 1659808502 LJIMVHUZOHGQTN-AWEZNQCLSA-N 279.855 4.853 30 10 CJEE C=CCCCCCCCNC(=O)OCc1ccccc1C 1663699588 XMQFGJHPAWJBNO-UHFFFAOYSA-N 289.419 4.748 30 10 CJEE C=C(C)CCNC(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 1674946169 BIQJOXNRGOVPCJ-ZDUSSCGKSA-N 286.419 4.559 30 10 CJEE C=CCn1c(-c2ccccc2OC(C)C)nc2ccccc21 1873520148 XZDQSZGKJONZMK-UHFFFAOYSA-N 292.382 4.677 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@@]12CCCC[C@@H]1C2 1877265310 JCYQXPHMBNMUQO-MOPGFXCFSA-N 269.432 4.645 30 10 CJEE C=CCCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1C 1880995740 RKWHCKWSPNXGTR-SJLPKXTDSA-N 257.421 4.643 30 10 CJEE CCCCCCCC[C@H](CC1(CCOC)CC1)NC 1882420723 LOXXYAXLXPTHQH-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CCN(CCCCCCCCCC)[C@@H](C)COC 1883836016 WUYNGASNVMNGCX-KRWDZBQOSA-N 269.473 4.650 30 10 CJEE CCCCCCCCCCN1C[C@H](C)C[C@H](C)C1=O 1883858786 RQUWAYTUQWFODL-CVEARBPZSA-N 267.457 4.632 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)sc1C 1903198484 FNMCHBANHGWXQL-QWHCGFSZSA-N 258.814 4.736 30 10 CJEE CCCCCCCOCC(C)(C)NCc1ccccc1 1915823558 KNSOKUPULOKEGL-UHFFFAOYSA-N 277.452 4.542 30 10 CJEE CCCCCCC[C@](C)(N)c1cc(C)ccc1F 1919503841 DLDOVOQZTKVPHP-INIZCTEOSA-N 251.389 4.669 30 10 CJEE C=C(C(C)(C)C)[C@@](C)(O)c1cc(Cl)sc1Cl 1919891520 VXEPYKHRKYIHKA-GFCCVEGCSA-N 279.232 4.865 30 10 CJEE CCCCCCC[C@](C)(O)[C@@H](N)c1ccsc1Cl 1920342915 CTDQSMKIZKFNGG-JSGCOSHPSA-N 289.872 4.513 30 10 CJEE CCCCCCC[C@](C)(O)[C@H](NCCC)[C@@H](C)C(C)C 1920939953 DPQOBIRCZURWIT-KSZLIROESA-N 285.516 4.758 30 10 CJEE CC[C@H](C)C[C@](O)(CC)[C@@]1(C#N)CCC[C@H](CC)C1 1921060384 OGUAVKOSFIBRCR-LUKYLMHMSA-N 265.441 4.674 30 10 CJEE C=C1CCC(C[C@H](NC)[C@H]2CCCC23CCC3)CC1 1921590821 WCSSWQOOTVSVDW-SJORKVTESA-N 261.453 4.681 30 10 CJEE N#C[C@]1(C[C@H]2CCCC3(CCC3)O2)CCCC12CCC2 1921634886 AZRCQMLPXSLWDX-NVXWUHKLSA-N 273.420 4.732 30 10 CJEE N#C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCC12CCC2 1921642181 FDGLBFQWFHMWPH-OAHLLOKOSA-N 279.305 4.821 30 10 CJEE C=CC[C@H]1CCCN1c1nc(Cl)c(Cl)cc1Cl 1925170295 VTYQUVFYSSWHAD-QMMMGPOBSA-N 291.609 4.587 30 10 CJEE C=C([C@@H](N)c1ccc(C)c(Br)c1C)C(C)(C)C 1949160415 QMWWSBYSGYTWJN-CQSZACIVSA-N 296.252 4.668 30 10 CJEE C=CC1(CN(Cc2ccccc2)CC(C)C)CCC1 1953394823 STUSRDUXRUUMMY-UHFFFAOYSA-N 257.421 4.501 30 10 CJEE CC[C@](C)(C#N)Cc1cc(Br)ccc1Cl 1957688818 MKHXUAPQKPCYML-LBPRGKRZSA-N 286.600 4.585 30 10 CJEE N#Cc1cc(F)cc(CSCC2CCCCC2)c1 1968388337 UFHFXQCEDQLRNL-UHFFFAOYSA-N 263.381 4.511 30 10 CJEE C=CCC[C@H](C)[C@H](NCC)c1cscc1Cl 1975934173 AMCDYLLEAACOOG-GWCFXTLKSA-N 257.830 4.654 30 10 CJEE CCC(C=O)(CC)Cc1cc(Cl)ccc1Cl 1978629681 BZUDGPNOJPHDEW-UHFFFAOYSA-N 259.176 4.541 30 10 CJEE C=CCCCC[C@@H](O)c1c(C)cccc1Br 1984552470 BANBMHIGUQOAJH-CYBMUJFWSA-N 283.209 4.537 30 10 CJEE CCCCC#CC[C@H](O)c1scc(Cl)c1Cl 1994168755 JVNBHDZEFRZNBR-JTQLQIEISA-N 277.216 4.672 30 10 CJEE C=CCCCC[C@@H](NCC)c1ccc(CC)s1 2009480669 ASFRELWZOAVBPU-CQSZACIVSA-N 251.439 4.708 30 10 CJEE CC1(C)CC[C@@]1(C#N)CCSC1CCCCC1 2014852525 GOBPADJHZZTSLB-HNNXBMFYSA-N 251.439 4.772 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)CCCSC1 2018482255 SCUUYFDUMNJWBK-ZDUSSCGKSA-N 286.227 4.573 30 10 CJEE C=C(C)CC[C@H](O)c1cc(-c2cccs2)cs1 2019780889 SCBYLCILHOCTAC-LBPRGKRZSA-N 264.415 4.866 30 10 CJEE CCCCCCCOc1cc(Cl)c(C)cc1N 2025894023 TYYVOWBKYDCRRF-UHFFFAOYSA-N 255.789 4.580 30 10 CJEE C=CCCCCCCN(C)[C@H](C)c1cccs1 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30 10 CJEE N#Cc1cc2ccccc2nc1Sc1ccc(F)c(F)c1 71390685 KUQRLSRTJGGDHC-UHFFFAOYSA-N 298.317 4.536 30 10 CJEE CC(C)Oc1ccc(-c2cc(CC#N)c(C3CC3)o2)cc1 77083629 HYEPFCKRRFOKSD-UHFFFAOYSA-N 281.355 4.677 30 10 CJEE CCN[C@@H](C)c1cccc(SCc2ccc(C#N)cc2)c1 84125035 QSSCCWFNALMKEN-AWEZNQCLSA-N 296.439 4.521 30 10 CJEE C[C@H](CS)CN1c2ccccc2Sc2ccccc21 94586513 TYAGCABZJNGTPU-LBPRGKRZSA-N 287.453 4.855 30 10 CJEE CCCCCCCNc1ccc(-c2cnco2)cc1 103030298 APHFJUNXJSRYPY-UHFFFAOYSA-N 258.365 4.724 30 10 CJEE CCCCCCCC[C@H](NC)c1cc(F)cc(F)c1 103944788 OSRDZEOTZSGKDK-INIZCTEOSA-N 269.379 4.976 30 10 CJEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 109900742 IQJWKURVEILVHL-UMVBOHGHSA-N 259.418 4.565 30 10 CJEE CCCCCCCOc1ccc(C#N)c(Cl)c1 110261746 SNURQJFNYMSYNV-UHFFFAOYSA-N 251.757 4.561 30 10 CJEE Cc1ccccc1CSCCCOc1ccc(C#N)cc1 110354914 CNWRGHUHODHKRJ-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE CCC(CC)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 111669318 UNNVITYPNQHDGN-SNVBAGLBSA-N 284.325 4.814 30 10 CJEE CCCCCCCN1CC2(CCCC2)NC[C@@H]1C(C)(C)C 114349372 UBZRBPXYAHOMTC-QGZVFWFLSA-N 294.527 4.590 30 10 CJEE CCCCCCCCc1n[nH]c(N)c1-c1cccc(F)c1 115858223 WGFUWJLUSHYHRZ-UHFFFAOYSA-N 289.398 4.701 30 10 CJEE CCCCCCC[C@H](N)CSc1ccc(C)cc1 117404503 VLZXGRMGVSQOBJ-HNNXBMFYSA-N 265.466 4.775 30 10 CJEE CCCCCCCC[C@H](NC)[C@@](C)(CC)N1CCCC1 118160768 FNBLJMXNQREKAZ-ZWKOTPCHSA-N 282.516 4.590 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H](OCC)C1CC1 123185895 IBRCMOHCBOZJBH-IRXDYDNUSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1COc2ccccc21 124472860 YKUGECLZRHCBHV-IAGOWNOFSA-N 276.420 4.664 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(Cl)cn1 125071477 CNGLQLFJKFKQEG-AWEZNQCLSA-N 255.789 4.519 30 10 CJEE CCCCCCCC[C@@H](NN)C1CCC(C)(C)CC1 126740709 YGIGSSXSZUVHES-MRXNPFEDSA-N 268.489 4.785 30 10 CJEE CCCCCCCCC[C@H](NN)C1CCCCCC1 126751399 XDOSJIWZSCGZRS-KRWDZBQOSA-N 268.489 4.929 30 10 CJEE CCCCCCCCCn1ccc([C@H](O)C(F)(F)F)c1 128832476 LQLORQLJHPFYPS-AWEZNQCLSA-N 291.357 4.834 30 10 CJEE CCCCCCCCC[C@@H](C[C@H](C)OC)NCC 134473327 BOLUDMGKOMGRFT-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCC[C@@H](O)c1csnn1 135568361 RRVUEGPPGCBROZ-OAHLLOKOSA-N 284.469 4.883 30 10 CJEE C=CCCC[C@H](O)c1cccc(OCc2ccccc2)c1 136390810 MLCYSKDBHPOKCE-IBGZPJMESA-N 282.383 4.655 30 10 CJEE C=CC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H]1CC=C 136816848 SMBXWHQNSUSVSJ-KFWWJZLASA-N 279.424 4.543 30 10 CJEE CCCCCCCCCC[C@@H](NCC)c1cc(C)nn1C 143417001 DWVHVRYOAIAJNA-QGZVFWFLSA-N 293.499 4.910 30 10 CJEE C=CCC[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1CNCC 156228895 QKTKFCYCSJHCLM-JYJNAYRXSA-N 251.458 4.641 30 10 CJEE CCC1CCC(C#N)(C(O)(CC(C)C)CC(C)C)CC1 165724405 LUKOXDZVPQYCKH-UHFFFAOYSA-N 279.468 4.920 30 10 CJEE COc1ccc(C#N)c(SCc2ccc(Cl)cc2)c1 165991022 PYUPXTFYZFJFFK-UHFFFAOYSA-N 289.787 4.513 30 10 CJEE Cc1cccc(C#N)c1Oc1cccc(C(F)(F)F)c1 221139652 VRDZVUFGKONNNN-UHFFFAOYSA-N 277.245 4.678 30 10 CJEE CCCCCCCCC[C@@H](N)C1[C@@H]2CCCC[C@@H]12 228992597 FFKHJNCLXHNGBH-BZUAXINKSA-N 251.458 4.891 30 10 CJEE Cc1cc(C)c(-c2csc(C(C)(C)C#N)n2)cc1C 231790995 GVCDURVHXOAYFQ-UHFFFAOYSA-N 270.401 4.537 30 10 CJEE C=CCCC[C@H](NCCC)c1ccc(Cl)c(F)c1 233123872 BNNPCDFBRFNUPT-HNNXBMFYSA-N 269.791 4.876 30 10 CJEE CCC[C@@H](Nc1nccc(C#N)c1Cl)c1cccs1 233297386 UYMPVTGPVFAGED-LLVKDONJSA-N 291.807 4.621 30 10 CJEE CCCCCCCCC[C@H](NCC)[C@H]1CCO[C@H]1C 252895936 AQTKWUDVWOWZPN-ULQDDVLXSA-N 269.473 4.530 30 10 CJEE CCCCCCCCCCCCN1CC[C@@H](C)[C@H](O)C1 300002960 JBBFGUDGYKVWPN-QZTJIDSGSA-N 283.500 4.610 30 10 CJEE CCCCCCCCC[C@H](CN)N1C[C@@H](C)CC[C@H]1C 300515205 AVBUCXDFGUIYJP-RCCFBDPRSA-N 282.516 4.575 30 10 CJEE O=C(C[C@H]1CCCC(F)(F)C1)C1=CCCCCC1 310409909 FSBFRHYTSJQYOG-GFCCVEGCSA-N 256.336 4.662 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1cccc(Br)c1 310574515 PDQHXKFTBQIXMD-GFCCVEGCSA-N 296.252 4.702 30 10 CJEE C=CCC(C)(C)CN[C@@H]1c2ccccc2CC1(C)C 311725037 QCKOLUIDPUAKMQ-MRXNPFEDSA-N 257.421 4.502 30 10 CJEE CC(C)(C)CCOCC1(C=O)CCC(C(C)(C)C)CC1 316642114 BCEFPBIRFVTISB-UHFFFAOYSA-N 282.468 4.861 30 10 CJEE CO[C@@H](CC1(C=O)CCCCCCC1)c1ccccc1 316782870 VWGIVJZYMWIAOZ-KRWDZBQOSA-N 274.404 4.694 30 10 CJEE CCCCCCCCNc1ccnc(C(F)(F)F)c1 381854057 UBKCTESJZINPON-UHFFFAOYSA-N 274.330 4.873 30 10 CJEE CC(C)C1CCC([C@H](O)[C@]2(C#N)CCCC[C@@H]2C)CC1 384763749 QPMKOWPUPKDCGE-FHZKDXSVSA-N 277.452 4.530 30 10 CJEE CC1(C)CC(=O)C=C(c2ccsc2C(F)(F)F)C1 394903497 DPMRATVJHVVHBS-UHFFFAOYSA-N 274.307 4.539 30 10 CJEE CCCCCCC[C@@H](C)NC[C@@H](C)CC(F)(F)F 397019262 QURGJFLPJHWRFH-QWHCGFSZSA-N 267.379 4.914 30 10 CJEE CC(C)(C)[C@H](C#N)CSc1cccc(Br)c1 397493417 BQKCPJQXGQKWHE-SNVBAGLBSA-N 298.249 4.727 30 10 CJEE C=CCCCCCCNC[C@@H]1CCCC[C@@H]1CC 401490546 XXVZJHGXRVWYGY-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=CCC(C)(C)CO[C@H]1CCCCCC[C@@H]1NCCC 403868988 SKIMDOYLCBOAIM-IRXDYDNUSA-N 281.484 4.696 30 10 CJEE CCC[C@@H](CCc1ccccc1)NCC1CCC(C#N)CC1 442848634 AUIOIQTYWOENEM-MHJFOBGBSA-N 298.474 4.707 30 10 CJEE Cc1cc(C(F)F)c(C(F)(F)F)cc1OC(F)F 575664475 GCRVPEROQHDBHJ-UHFFFAOYSA-N 276.151 4.553 30 10 CJEE CCc1ccc(/C=C\C(=O)c2ccc(C)cc2C)cc1 606208299 NJBJWANKJRVNPW-BENRWUELSA-N 264.368 4.762 30 10 CJEE CCC1(CC)CCCN(c2ccc(C#N)c(Cl)c2)C1 690355583 ZNXYTKURLJWYBO-UHFFFAOYSA-N 276.811 4.618 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)c(F)c1 692205628 RNJPUBXEXXKTJW-XJKSGUPXSA-N 281.802 4.704 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1csc(C)c1 692272217 LGPRNOHDTUHCAN-FMKPAKJESA-N 263.450 4.842 30 10 CJEE C[C@@]12CC3CC(CC(=O)/C=C\Cl)(C1)C[C@](C)(C3)C2 693498545 RGONSIHCYOKFAA-MCAFTOMFSA-N 266.812 4.695 30 10 CJEE CCCCCCCCCCCCN1CC[C@H](C(N)=S)C1 694552922 LPUKOHZNEUZHGP-INIZCTEOSA-N 298.540 4.515 30 10 CJEE C[C@H](CCS)CCN(C)[C@H]1CCCC(C)(C)CC1 697831943 YVUWZNWLAIQHDO-GJZGRUSLSA-N 271.514 4.623 30 10 CJEE CCCCCCC[C@H](N)c1c(F)ccc(F)c1Cl 705524112 BUBZPLWRANEIQU-LBPRGKRZSA-N 275.770 4.979 30 10 CJEE CCCCCCCOC[C@H](NCC)c1ccccc1Cl 709570069 QQHSZOGYDKSYIH-KRWDZBQOSA-N 297.870 4.978 30 10 CJEE C=C(Cl)C[C@H](NCCC)c1sccc1Cl 710589935 JCPYJFNAOLQHSX-JTQLQIEISA-N 264.221 4.585 30 10 CJEE C=C(Cl)C[C@H](NCC)c1cccc(C(C)(C)C)c1 710673497 BMPANGZIVBICCS-HNNXBMFYSA-N 265.828 4.777 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC(=NO)C1 712721105 HUDBRSBVOYFSQX-OAHLLOKOSA-N 255.402 4.526 30 10 CJEE CCCCCCCCCCCCNC[C@H]1C[C@H](OC)C1 714666323 OMNBXKMLSVIULA-IYARVYRRSA-N 283.500 4.922 30 10 CJEE C=C1CCC(C[C@H](N)c2ccc(SCC)cc2)CC1 724545128 OQEQSHBBACEIJL-KRWDZBQOSA-N 275.461 4.935 30 10 CJEE C=C1CCC(CC(=O)c2csc(Br)c2)CC1 724589396 FZNKXTIMNGPMEX-UHFFFAOYSA-N 299.233 4.830 30 10 CJEE CC(C)(C#N)CCCCOC(=O)CC/C=C/c1ccccc1 768716290 QLPDWQLVXBPVCY-WUXMJOGZSA-N 299.414 4.743 30 10 CJEE C=CC[C@@H](CC)NC(=O)C1(C2CCCCC2)CCCCC1 1128531746 GZAAOYINOOXBHT-QGZVFWFLSA-N 291.479 4.988 30 10 CJEE C=CCCCC(=O)Nc1nc2c(C)ccc(Cl)c2s1 1128748209 KFNSXMKBXMAAIS-UHFFFAOYSA-N 294.807 4.553 30 10 CJEE C=C[C@@H](CC)CC(=O)N(CC(C)C)c1ccccc1Cl 1129810552 VEAFVDRWJXVDED-AWEZNQCLSA-N 293.838 4.931 30 10 CJEE CC(=O)c1ccc(OCCCCC(C)(C)C#N)cc1Cl 1166863765 OJNUJSMKGBWUNO-UHFFFAOYSA-N 293.794 4.641 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc2scnc2c1 1179142734 LQRIWIYHYHQDIP-CABCVRRESA-N 286.444 4.521 30 10 CJEE C#CCCCCCCSCc1cc(C)ccc1OC 1188980145 QMQURTZORPXHDZ-UHFFFAOYSA-N 276.445 4.821 30 10 CJEE C=CCCCN(CCc1ccc(Cl)cc1)CC1CC1 1190954178 HVJVXXZQDWCVGT-UHFFFAOYSA-N 277.839 4.561 30 10 CJEE C=CC[C@@H]1CC[C@H](N[C@H](C)c2ccc3ncsc3c2)C1 1205471601 OMVFCHCIXBZWLD-NFAWXSAZSA-N 286.444 4.692 30 10 CJEE C=CCC[C@@H](CCC)NCC[C@@H]1CCC(F)(F)C1 1207752536 CHSHGXDQPUWLIH-UONOGXRCSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCCNC(=O)NC[C@@H]1CCC[C@@H](C)C1 1221467528 RPMSZTMPZRZAKO-IAGOWNOFSA-N 294.483 4.639 30 10 CJEE C#CCCCCCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1269352107 OZCDIRQGBDESMN-SJORKVTESA-N 291.479 4.681 30 10 CJEE C=C(C)c1cccc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1 1289567125 NDFZGELQCAEMFT-CQSZACIVSA-N 297.373 4.991 30 10 CJEE C=C(C)CCN[C@@H](c1oc2ccccc2c1C)C(C)C 1307636233 YQJRVOQMHGWZDB-QGZVFWFLSA-N 271.404 4.994 30 10 CJEE C#Cc1cccc(N[C@H](CCC)CCc2ccccc2)c1 1308668894 GSWIABQEVNPXCJ-LJQANCHMSA-N 277.411 4.881 30 10 CJEE C=CC(C)(C)CCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1308929244 WUWDCSZUWBSUPZ-YESZJQIVSA-N 263.469 4.927 30 10 CJEE C=CCCC[C@@H](C)NC(=O)c1coc2cc(C)c(C)cc12 1458272482 JNAUQWCNOHEXCU-CQSZACIVSA-N 285.387 4.524 30 10 CJEE C=CCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 1459482041 BHKDDIJBHDSHJZ-MRXNPFEDSA-N 263.812 4.833 30 10 CJEE C=CCCCCCCCCN[C@@H]1CCCSCC1 1462306425 SQETURSOGRZDFY-MRXNPFEDSA-N 269.498 4.778 30 10 CJEE C=CCCCCC[C@H](C)N[C@H]1CCc2c(F)cccc21 1462584486 FQFLXXMZPGCJJE-KSSFIOAISA-N 275.411 4.928 30 10 CJEE C=CC[C@@H](C(=O)N1CCC(C)(C(C)C)CC1)c1ccccc1 1467294468 AKPFEZKXFGLJEQ-GOSISDBHSA-N 299.458 4.631 30 10 CJEE C=C[C@H](CC(=O)Oc1cccc(Cl)c1)c1ccccc1 1521858011 UTGJRRPJEIPBTB-CYBMUJFWSA-N 286.758 4.605 30 10 CJEE C=CC[C@@H]1N(C(=O)[C@H]2CCC(C)=C(C)C2)CCCC1(C)C 1524695848 HVBVWCCILRWHBQ-IRXDYDNUSA-N 289.463 4.716 30 10 CJEE C=CC1(CC(=O)N2CCCC[C@@H]2CC(C)C)CCCCC1 1525488850 RMAJCSJGKSZFLJ-QGZVFWFLSA-N 291.479 4.940 30 10 CJEE C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1C 1527924564 UMGVWXPLEIDFOR-RBUKOAKNSA-N 299.458 4.741 30 10 CJEE C=CCCC[C@@H](C(=O)N[C@@H](CC)CC=C)c1ccccc1 1530641573 IRUTVVZVNJVVQO-ZWKOTPCHSA-N 285.431 4.597 30 10 CJEE C=CCCC(C)(C)CNC(=O)[C@H](C)c1ccc(Cl)s1 1534588585 NFLGMKNRIWRYER-LLVKDONJSA-N 299.867 4.614 30 10 CJEE C=CC(C)(C)CC(=O)N[C@H](c1cccs1)C(CC)CC 1534597271 YMEUTJQDHJGUHU-INIZCTEOSA-N 293.476 4.944 30 10 CJEE C=CCCC(=O)N1CC[C@H](c2ccccc2)c2ccccc21 1534883969 LKDWCMRTERHNLA-QGZVFWFLSA-N 291.394 4.521 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@H]1CCCc1ccccc1 1535099448 DZHMYBPXZDXJGO-IEBWSBKVSA-N 299.458 4.603 30 10 CJEE C=CC[C@@H]1CC[C@H](NCc2ccc3cc(OC)ccc3c2)C1 1560255003 UHUZBOGUGXILTK-BEFAXECRSA-N 295.426 4.683 30 10 CJEE C=CCCC[C@@H](C(=O)NC[C@@H]1C[C@H]1C(C)C)c1ccccc1 1587537030 FOKGSGVYHMKSPJ-OTWHNJEPSA-N 299.458 4.535 30 10 CJEE C=CCC1(CNC/C(C)=C\c2ccccc2)CCCC1 1620935179 DTEJKMKCGCUTRM-VKAVYKQESA-N 269.432 4.816 30 10 CJEE C#C[C@@H](NC[C@@H](CC)c1ccccc1)c1ccc(Cl)cc1 1621368450 KUCMUDPVYAWPTM-DNVCBOLYSA-N 297.829 4.798 30 10 CJEE C#Cc1cccc(N(CCCCCF)Cc2ccccc2)c1 1642247015 PQBZSQHMNBNYMY-UHFFFAOYSA-N 295.401 4.814 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC1(C)C 1643802185 BUSRZIAPJWHPGU-BRWVUGGUSA-N 263.469 4.927 30 10 CJEE C=CCC1(CNC[C@@H]2C(C)=CCC[C@@H]2C)CCCC1 1651074033 VGSDYSDXEKZBRT-DLBZAZTESA-N 261.453 4.705 30 10 CJEE C=C(C)CCOc1c(C=O)cc(Cl)c2ccccc12 1651901129 KQZFTANKMOKQCR-UHFFFAOYSA-N 274.747 4.651 30 10 CJEE C=CC[C@H]1N(C[C@@H](OC)C2CCCCC2)CCCC1(C)C 1654318445 UTZOGXUJAZDVCH-QZTJIDSGSA-N 293.495 4.648 30 10 CJEE C=CCOc1ccc(CN[C@H]2CCC[C@@H](C(C)C)C2)cc1 1657349275 KBFJRBAYFINTFF-MSOLQXFVSA-N 287.447 4.556 30 10 CJEE C=CCC[C@H](CCC)NCc1ccc(CSC)cc1 1658054703 NRYFWCWAJMKBEN-KRWDZBQOSA-N 277.477 4.774 30 10 CJEE C=C(CC)CNCc1ccc(OCc2ccc(C)cc2)cc1 1658122849 KDASSNNTZOLQGR-UHFFFAOYSA-N 295.426 4.630 30 10 CJEE CC(C)(C)C1(CNc2ccc(C#N)cc2Cl)CCC1 1876767261 AJPYGHDJQUUUDS-UHFFFAOYSA-N 276.811 4.840 30 10 CJEE CC#CCCCC[C@](O)(CC)C1CCC(F)(F)CC1 1885226632 DHLOCRQORRUBFV-OAHLLOKOSA-N 272.379 4.537 30 10 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NOYFWOWYWSREHV-AWEZNQCLSA-N 263.406 4.541 30 10 CJEE CCCCCCCCC[C@@H](N)C1CCC(F)CC1 2032102018 UQBSXSRSAOCZMV-UYSNPLJNSA-N 257.437 4.983 30 10 CJEE Cc1cc(C[C@@]2(C#N)CCCC2(C)C)ccc1Cl 2032105005 HIYXLZPRFLMEFF-MRXNPFEDSA-N 261.796 4.911 30 10 CJEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(F)cc2Cl)C1 2037681437 GFEQOKOQARDVHJ-GXFFZTMASA-N 265.759 4.913 30 10 CJEE C=C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1F)C1CC1 2040413922 PQCAKFYHSBOISQ-SDBXPKJASA-N 288.193 4.748 30 10 CJEE C=CCC[C@@H](C)[C@@H](NCCC)C1CCC(C)CC1 2040524954 GJDVTQZMJIRDJD-MNAZLIDISA-N 251.458 4.783 30 10 CJEE C=CCC[C@@H](C)[C@H](N)C1CCC(CCCC)CC1 2040529045 HSCBPEDQESWDQD-VXLLPVPCSA-N 251.458 4.913 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1cc2cscc2s1 2040847685 SRJKAQUQKNIJBA-AAEUAGOBSA-N 277.458 4.970 30 10 CJEE CCCCCCCCCCNC[C@H]1C[C@@H]1C(F)F 2041780243 OQZCGAJZXYCHBD-KGLIPLIRSA-N 261.400 4.618 30 10 CJEE SCCCCCCCCCOc1ccc(Cl)nc1 2046992232 HPGVOVJARUGXSG-UHFFFAOYSA-N 287.856 4.774 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C[C@@]2(C)CCCC2(F)F)C1 2048989332 AEVYHMTTZCFJDT-MCIONIFRSA-N 255.352 4.922 30 10 CJEE C=CC1(C[C@@H](NCCC)C(C)(CC)CC)CCC1 2049029496 IBJCVFQEEKFEFH-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(C[C@H](CCCCSC)NCC)CC1 2052828102 IVRVASQTRRZYQW-INIZCTEOSA-N 269.498 4.634 30 10 CJEE CCC#CC[C@](CC)(CCCC)CNC(C)(C)C 2053774110 CBDASAONKTYHJB-KRWDZBQOSA-N 251.458 4.765 30 10 CJEE CCCCCCCCCNC1CC(C2CCC2)C1 2056696611 GLGGRWHRKQBDPJ-UHFFFAOYSA-N 251.458 4.905 30 10 CJEE CC[C@H]1CC=C(C(=O)C2CCC(F)(F)CC2)CC1 2061186570 KFTHHILDEURXHE-NSHDSACASA-N 256.336 4.518 30 10 CJEE SCCCCCCCCCO[C@H]1CCCC12CC2 2063313153 HYAVNBRUKLBUOL-HNNXBMFYSA-N 270.482 4.996 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](O)(CC)CCC(C)C 2066038640 REERZETZOYUKHX-CVEARBPZSA-N 253.430 4.674 30 10 CJEE CC[C@@H](CCC(C)C)N(C)C[C@@H](CS)C(C)(C)C 2066061161 MZZUHOWKBNJAMZ-GJZGRUSLSA-N 273.530 4.725 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H]2CC[C@@H](N2)[C@H]1F 2070536327 RZWAENVQEPIDRU-FPCVCCKLSA-N 255.421 4.606 30 10 CJEE CCCCCCCC[C@H](NC)[C@@H](C)OC(C)(C)C 2072105781 FCWZCELOIDTBTM-CABCVRRESA-N 257.462 4.529 30 10 CJEE CCCCCCC[C@@H]1CCC(F)(F)CC[C@H]1NC 2074466883 CRJUPBALWWSZBY-ZIAGYGMSSA-N 261.400 4.760 30 10 CJEE CC#CCCCC[C@H](NCC)c1cc(C)c(Cl)s1 2075365800 SBHYHGMTAMWWIO-ZDUSSCGKSA-N 283.868 4.944 30 10 CJEE C#CC[C@@H](C)CN(C)CCCCCCCCCC 2076010281 FYQBHVZQZSANBR-QGZVFWFLSA-N 251.458 4.718 30 10 CJEE SCCCCCCCCCO[C@@H]1CCC2CC1C2 2077672045 SQBRMHZBSDNGPR-UYSNPLJNSA-N 270.482 4.852 30 10 CJEE C#CCCCC[C@H](O)c1ccc(-c2cccs2)s1 2085083658 OAHVTQQIQHJRRR-LBPRGKRZSA-N 276.426 4.704 30 10 CJEE C=CCCCCCCC(=O)[C@]1(C)C[C@H]1C(F)(F)F 2085841462 IEJJUXZAHDFTJZ-DGCLKSJQSA-N 262.315 4.671 30 10 CJEE C=CCCCCCC[C@H](NCCC)C1(C)CSC1 2085846410 GAVQBJDYQUFXAD-HNNXBMFYSA-N 269.498 4.634 30 10 CJEE C=CCCCCCC[C@@H](NCC)C1(CF)CCC1 2085848577 BJYQLGRBHBHXGN-OAHLLOKOSA-N 255.421 4.631 30 10 CJEE C=CCCCCCCN(C)CC(C)(C)C(C)(F)F 2085851173 DFZICDYCSBPCBT-UHFFFAOYSA-N 261.400 4.736 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@]1(F)C[C@@H]1C 2085856080 IPVLLXPWDFSAIE-JYJNAYRXSA-N 255.421 4.629 30 10 CJEE C=CCCCCCCCCC[C@@H](O)C1(SC)CC1 2086262746 ZBGIWVCPCUYJQZ-OAHLLOKOSA-N 270.482 4.940 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1snnc1C 2089116066 HSFYCNOVFGWGLE-ZDUSSCGKSA-N 283.485 4.638 30 10 CJEE C=CC(C)(C)CCNC[C@H]1CCCC[C@H]1C(F)(F)F 2092648307 XBTASRCOXZYZLG-CHWSQXEVSA-N 277.374 4.547 30 10 CJEE N#Cc1ccc(Cl)cc1N[C@]12CCCC[C@@H]1CCC2 2092700843 SUQMRNXPALCNQL-CJNGLKHVSA-N 274.795 4.736 30 10 CJEE C=C([C@H](NCCC)[C@@H]1CC[C@H]2C[C@H]2CC1)C(C)(C)C 2096624782 NDQYVDPIDAIXCL-YVSFHVDLSA-N 263.469 4.783 30 10 CJEE C=C1CCC(C[C@H](NCC)C2CC(C)(CC)C2)CC1 2097740807 VBFUDNXOWOEGGW-ADKAHSJRSA-N 263.469 4.927 30 10 CJEE CCCCCCCCNC[C@H]1CC[C@]2(C1)CC2(F)F 2099963734 GSFUTRGWKYNBGP-GJZGRUSLSA-N 273.411 4.762 30 10 CJEE C=CCC[C@@H](C)C[C@@H](CNCCC)c1ccccc1 2102102236 BMCARSZWLFCCRL-AEFFLSMTSA-N 259.437 4.762 30 10 CJEE C=CCC[C@@H](C)[C@H](NCCC)C12CCC(CC1)CC2 2102111319 LWVTYIUYXDLHNV-ZLZJIPBDSA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1COC(C)(C)C1 2103135877 RGARNIQQVXSSAT-HNNXBMFYSA-N 268.441 4.901 30 10 CJEE C=C1CC(CCC(C)(C)C2CC2)(CNCC(C)C)C1 2103346590 RJCHXVVUKHJDJQ-UHFFFAOYSA-N 263.469 4.785 30 10 CJEE Cc1cccc(C#N)c1N[C@]1(C)CCCCC1(C)C 2103593226 YZLAMSAZAJTFQN-QGZVFWFLSA-N 256.393 4.638 30 10 CJEE CC1(C)CC(Nc2cccc(Cl)c2C#N)CC1(C)C 2104196952 SJPDIJASEMMCLU-UHFFFAOYSA-N 276.811 4.838 30 10 CJEE CCCC[C@](C#N)(CC)[C@]1(O)CCC[C@@H](CC)CC1 2108212696 DRTXPCQAGDIRCO-IKGGRYGDSA-N 265.441 4.818 30 10 CJEE N#CCCCCCN[C@H]1CCCCC12CCCCC2 2110007402 QHEKWMJKEYYFFB-INIZCTEOSA-N 262.441 4.553 30 10 CJEE C=CC1(C[C@@H](NCC)[C@H]2CC23CCCCC3)CCC1 2111708098 KBJPPUMMXWIQQA-HZPDHXFCSA-N 261.453 4.681 30 10 CJEE C=CC1(C[C@H](NCC)C2CCC(CC)CC2)CCC1 2111721100 JTYJFAQFFWZHDF-JCYILVPMSA-N 263.469 4.927 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CCC(CC)CC1 2112036739 FGLKMEGMYMSNRH-ZGUYJTEBSA-N 263.469 4.927 30 10 CJEE C[C@H](C1CCCCC1)N(C)CC1(CS)CCCCC1 2112140058 QLGBGTLRPLOVTA-OAHLLOKOSA-N 283.525 4.767 30 10 CJEE C=C1CCC(C[C@@H](NC)C2CC(CC3CC3)C2)CC1 2113039419 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C=C(F)C[C@H]1CCCc2ccccc2[C@@H]1NCCC 2126112413 VCAJHWWYXXRYBF-NVXWUHKLSA-N 261.384 4.553 30 10 CJEE CC[C@@](C=O)(C[C@H]1CCCc2ccccc21)C(C)C 2127932825 BCXHAEYULCMLHU-AEFFLSMTSA-N 258.405 4.748 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cc(Cl)c(F)cc1C#N 2127972746 VNDVSRMCPBXGPO-QMTHXVAHSA-N 281.758 4.698 30 10 CJEE CCCCCCCCCCC(=O)C[C@@H]1CC[C@@H]1OC 2130359358 ISYYMIHSGWCNFT-RDJZCZTQSA-N 268.441 4.901 30 10 CJEE CCCCCCCCC[C@@H](CC[C@H](C)COC)NC 2130966624 HMIFESWDFHPVRX-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE C=C(F)C[C@H](NCCC)[C@@H]1C[C@@H]1C1CCCCCC1 2135321767 ZEWDUVIEESTAAD-ZACQAIPSSA-N 267.432 4.834 30 10 CJEE SCC1(CO[C@@H]2CCC[C@@H]3CCCC[C@@H]32)CCCC1 2136430956 NJLQAGFSTMCBRU-HRCADAONSA-N 282.493 4.852 30 10 CJEE C=CC1(C[C@H]2CC(C)(C)CC[C@H]2NCCC)CCC1 2138466018 QNLBRJCBUAUDAE-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CCCCCC#CC[C@H](CCCc1cccs1)NC 2139003779 VWSDZSHTKUCGGO-MRXNPFEDSA-N 277.477 4.633 30 10 CJEE C=CCCCCCCN1c2ccccc2CC[C@@H]1C 2141923901 XVIGOZOIHYCZKW-INIZCTEOSA-N 257.421 4.964 30 10 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CCCCCCC[C@](C)(CNC(C)(C)C)OC(C)C 316563508 QIESJFHIDCYOGA-QGZVFWFLSA-N 271.489 4.919 30 10 CJEE CCCCCCCCCCC[C@H](N)c1cnc(C)n1C 380250666 PLZUYPAABJZFNE-INIZCTEOSA-N 279.472 4.649 30 10 CJEE CCCCCCCCC[C@@H](N)c1cnccc1OCC 380759523 DCZTYVWNHHPPSS-MRXNPFEDSA-N 278.440 4.621 30 10 CJEE C=CCSc1ccccc1NC[C@@]1(C)CCCS1 385562420 BSZVVHWXYHMULN-OAHLLOKOSA-N 279.474 4.662 30 10 CJEE C[C@@H](C1CC1)N(CCCCCCS)Cc1ccccc1 385891277 UTLNZXMGWMUHIE-INIZCTEOSA-N 291.504 4.777 30 10 CJEE N#C[C@H](C(=O)c1csc(Cl)c1)c1ccc(Cl)cc1 386237694 QPQPNOZAIANMDT-NSHDSACASA-N 296.178 4.545 30 10 CJEE Cc1cc(Cl)cc([C@H](O)C2(C#N)CCCCCC2)c1 395071614 HVFGQAJRCLLAKL-HNNXBMFYSA-N 277.795 4.546 30 10 CJEE N#CCc1cc2ccsc2c(Cl)c1C(F)F 396202258 VUSUJLVKNLDZBB-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C=CCCC[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)CC1 398129851 VBCDZCWPWQCHDG-GVDBMIGSSA-N 251.458 4.926 30 10 CJEE CC(C)C1CCC(C=O)(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 403357835 GWCGFLLTXKWLRH-NGPICZKLSA-N 262.437 4.844 30 10 CJEE C=CCCC[C@](C)(O)c1c(Cl)cccc1Cl 404249457 LJZZJSCEIAPLCP-ZDUSSCGKSA-N 259.176 4.557 30 10 CJEE C#CCCCCC[C@H](O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2 686685957 QWPAPLVLVYRQRZ-HZOPKGLOSA-N 274.448 4.538 30 10 CJEE C#CCCCCCn1ccc2c(Br)cccc21 686689047 APSABNTUIXKOHZ-UHFFFAOYSA-N 290.204 4.597 30 10 CJEE CCCCC[C@@H](C)/N=C1/NC2(CCCCC2)CCS1 687321456 XNDZNNDZYKQFDL-CQSZACIVSA-N 282.497 4.741 30 10 CJEE N#Cc1oc2ccccc2c1OCc1ccsc1Cl 687994921 WRJYVHRUFBDOFB-UHFFFAOYSA-N 289.743 4.598 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)(CC[C@H]2CCOC2)C1 688341562 IHWWAZUCCSABLU-AWEZNQCLSA-N 263.425 4.549 30 10 CJEE CCCCCCC[C@@](C)(CN)N1C[C@@H](CC)CC[C@@H]1C 689394244 VCCURJWVMSIAKG-BZSNNMDCSA-N 282.516 4.575 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)nc(C2CC2)n1 692241609 KEYQWBQRNBPGPG-DGCLKSJQSA-N 291.826 4.554 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)s1 692254018 LNSGQYPYQLWGLE-KFWWJZLASA-N 263.450 4.842 30 10 CJEE C=CCCSCCN[C@@H](C)c1cccc2ccccc12 696059630 FCZFYXGUKQQQEQ-HNNXBMFYSA-N 285.456 4.800 30 10 CJEE C=CCCSCCN[C@H]1CCC(C)(C)c2ccccc21 696063977 WBCYWGOGSQWUNJ-KRWDZBQOSA-N 289.488 4.698 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)c3cccs3)C[C@@H](C1)C2 697294846 DVJFPGJRYVVUSB-RDGKXADDSA-N 261.434 4.534 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)NC 698105079 LXQVUTBSPUMBDD-YVSFHVDLSA-N 251.458 4.761 30 10 CJEE O=C(CCCOC1CCCCC1)C1=CCCCCC1 699923199 HLSWFOWHFOOBFM-UHFFFAOYSA-N 264.409 4.576 30 10 CJEE C=CC(C)(C)CCNc1ccccc1C(F)(F)F 701865143 PPIBNFWGVQZDLD-UHFFFAOYSA-N 257.299 4.720 30 10 CJEE C=CCC[C@H](NCCC)[C@@H]1CCC[C@@H]2CCCC[C@H]21 714394882 AZHDNAQBAGAZKP-MLHJIOFPSA-N 263.469 4.927 30 10 CJEE CCCCCCC[C@H](C)n1cc(C(=O)O)c(C(C)C)n1 716010997 ZOAKMVOSIODMID-ZDUSSCGKSA-N 280.412 4.626 30 10 CJEE C[C@@H](OC[C@H](CS)c1ccccc1)C1CCCCC1 719742555 KEVDIQVDROCLIS-RHSMWYFYSA-N 278.461 4.685 30 10 CJEE N#Cc1c(C(F)F)sc2ccc(C(F)(F)F)cc12 725276891 IQQOZKWNGYNVIR-UHFFFAOYSA-N 277.217 4.729 30 10 CJEE C#CCCCCCC(=O)N(C)[C@@H](c1ccccc1C)C(C)C 779936783 PUWYMFAUCPXIHZ-HXUWFJFHSA-N 299.458 4.734 30 10 CJEE CCN(CC)c1ccc(N=Cc2ccccc2C)cc1 1084168342 MGQIDKZTYGVRFV-UHFFFAOYSA-N 266.388 4.592 30 10 CJEE C=CCC1(C(=O)Nc2ccc(F)c(C)c2)CCCCC1 1125785445 BAPDEXJZSLANRO-UHFFFAOYSA-N 275.367 4.599 30 10 CJEE C=CCCC[C@H](C(=O)N[C@@H]1CCC[C@@H]1CC)c1ccccc1 1127157566 UPNNHCJGWPLPPZ-YTQUADARSA-N 299.458 4.821 30 10 CJEE C=C[C@@H](CC(=O)N[C@@H](C)C1CCCCCC1)c1ccccc1 1127859564 RSDFCRFRHNXNSN-IRXDYDNUSA-N 299.458 4.821 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(CCC)CCC2)c1 1134837956 GUHIUUVMVMEAAV-UHFFFAOYSA-N 257.377 4.629 30 10 CJEE C#Cc1cccc(N(CC)CCCC2CCCCC2)c1 1168106415 PBIZVVRQRODCEJ-UHFFFAOYSA-N 269.432 4.855 30 10 CJEE C=C(C)CCN[C@@H](CC(C)C)c1cc(Cl)ccc1OC 1168623111 SGAYMEQWFHCGFP-INIZCTEOSA-N 295.854 4.992 30 10 CJEE C=CCCCCCCCN1CCC[C@@H]1c1cc(C)on1 1209437959 AKYYZQWWISTAHT-QGZVFWFLSA-N 276.424 4.647 30 10 CJEE C=C[C@H](CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 1264138556 DFNMJFYTFVEZOK-MRXNPFEDSA-N 279.383 4.602 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 1264224524 DGVSENUPKGTICW-UHFFFAOYSA-N 297.320 4.780 30 10 CJEE C=C(C)CSc1nc2ccccc2n1CCC(C)C 1307254431 WIICLGJEUBPEFQ-UHFFFAOYSA-N 274.433 4.751 30 10 CJEE C=CC(C)(C)CCCN[C@@H](C)CCC1CCCC1 1308927447 IBSYADGBGTZLQO-HNNXBMFYSA-N 251.458 4.927 30 10 CJEE C#C[C@@H](C)NC(=O)Nc1cccc([C@H]2CCCC(C)(C)C2)c1 1311306514 KWJRFBJDPRJGKE-ZBFHGGJFSA-N 298.430 4.514 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H](CCC(C)C)C(C)(C)C 1360522038 SWJTUXMVNYWUFN-HUUCEWRRSA-N 267.457 4.556 30 10 CJEE C=CCC1(C(=O)N2CCC3(CCCCC3)C2)CCCCC1 1360847861 AUWPMGNWMOEQTK-UHFFFAOYSA-N 289.463 4.696 30 10 CJEE C=CC(C)(C)CCNC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C 1437998872 FKOKNVSDSVEGLP-HVRYHUGMSA-N 291.479 4.724 30 10 CJEE C=CCCC(C)(C)CNC(=O)c1cc2ccccc2cc1F 1438257989 IGAGZTKGNYJKIG-UHFFFAOYSA-N 299.389 4.701 30 10 CJEE C#Cc1ccc(N[C@H](C)[C@H](OC)c2ccccc2)c(Cl)c1 1462631411 VUCYRSNXTRYYGS-ACJLOTCBSA-N 299.801 4.509 30 10 CJEE C=CCC(C)(C)CNC(=O)Nc1cccc([C@H](C)CC)c1 1467053991 COAZHURXDUJYPW-CQSZACIVSA-N 288.435 4.924 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 1467474511 CCDRTRHQYKJLLX-YQYZPQCESA-N 298.430 4.666 30 10 CJEE C=CC[C@@H](C)N1CC=C(c2ccccc2C(F)(F)F)CC1 1473237664 KMVSVJHITLPLIW-CYBMUJFWSA-N 295.348 4.759 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCC(C)C)CCC(C)C 1525887678 POPGXPOQBSRWAF-MRXNPFEDSA-N 267.457 4.510 30 10 CJEE C=CCC[C@H](C(=O)NC[C@@H]1CCCC1(C)C)c1ccccc1 1534027590 UUMAYQNVNNUODE-ROUUACIJSA-N 299.458 4.679 30 10 CJEE C=CCCCCCCNC/C=C\c1ccc(F)c(F)c1 1560469197 ZYAZSWDHDXHKIF-HJWRWDBZSA-N 279.374 4.704 30 10 CJEE C=CCC1(NC(=O)Nc2cccc(C)c2F)CCCCC1 1562540252 YSEKPFWHCUZUTI-UHFFFAOYSA-N 290.382 4.535 30 10 CJEE C=CCC(C)(C)CNC(=O)/C=C(\CC)c1ccc(C)cc1 1588299619 ZSSCKFYBMOFGNO-DTQAZKPQSA-N 285.431 4.507 30 10 CJEE C=CCCCCCSc1nc2ccc(C)cc2[nH]1 1613257908 VLCOVJABPNINHY-UHFFFAOYSA-N 260.406 4.710 30 10 CJEE C=CCCCCCN1CCC(Oc2ccc(C)cc2)CC1 1615484468 HIBLPHHWXXKFAZ-UHFFFAOYSA-N 287.447 4.585 30 10 CJEE C=CCCCCCN(C)Cc1nc(C(C)(C)C)cs1 1615601592 WSOBORKNAQVDCQ-UHFFFAOYSA-N 280.481 4.619 30 10 CJEE C=CCCCCCN(C)Cc1ccc(Cl)nc1Cl 1641837903 ORDLSAPPFOFXIM-UHFFFAOYSA-N 287.234 4.567 30 10 CJEE CC[C@H]1CCCC[C@H]1N(C)CCC1(C#N)CCCCC1 1645302861 CBGQZHFDUQFTGQ-DLBZAZTESA-N 276.468 4.751 30 10 CJEE C=CC[C@@H]1CCN(Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 1647863844 SWQGXPXMPYMMES-UONOGXRCSA-N 297.364 4.750 30 10 CJEE C=CCCC[C@H](C)Nc1nc(-c2ccccc2C)ns1 1650909428 YIKQBVQRTMROOZ-ZDUSSCGKSA-N 287.432 4.670 30 10 CJEE C=CCN(C/C=C\c1cccc(F)c1)Cc1cccs1 1652085787 XCHROYULGCBKNM-DAXSKMNVSA-N 287.403 4.589 30 10 CJEE C=CC[C@@H](CC)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 1652318399 UESAEBOFNRCANE-QNWHQSFQSA-N 283.868 4.838 30 10 CJEE C=CCCCCN1CC=C(c2cc(C)cc(C)c2)CC1 1652928119 JIVJXHFPIYFAPO-UHFFFAOYSA-N 269.432 4.749 30 10 CJEE C=CCCCC[C@@H](C)N[C@@H]1CCSC2(CCC2)C1 1653199327 TZSIGWROGCCQGE-HUUCEWRRSA-N 267.482 4.529 30 10 CJEE C=CCCCCCSc1ccc2c(c1)OCCCO2 1656011287 XULSTNMVXPDUFD-UHFFFAOYSA-N 278.417 4.686 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC[C@@H]1CCCC(C)(C)C1 1658119396 JMOAHNLQXBMYPW-RTBURBONSA-N 285.475 4.980 30 10 CJEE C#CCN(Cc1ccccc1)Cc1ccc(CC(C)C)cc1 1658572594 UJQIBIPKMNMNJT-UHFFFAOYSA-N 291.438 4.521 30 10 CJEE C=CCCCCC[C@@H](C)NCc1ccc(C)c(F)c1 1658959860 HEJJNIVHIKWXIE-OAHLLOKOSA-N 263.400 4.749 30 10 CJEE C#Cc1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(Cl)c1 1659012722 PBIWVCONFGMWSM-TYNCELHUSA-N 261.796 4.558 30 10 CJEE C=CCC[C@@H](CCC)Nc1cnc(C)c(Br)c1 1659121717 FJFPPRXJXUBIRQ-GFCCVEGCSA-N 297.240 4.699 30 10 CJEE C=CCCC[C@@H](C)NCc1cc(C(C)(C)C)oc1C 1662043773 FNCLANMLHZMFRL-CYBMUJFWSA-N 263.425 4.720 30 10 CJEE C=C(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)c1 1665184274 ODTVXBDPJMEGFZ-ZBFHGGJFSA-N 286.419 4.810 30 10 CJEE C=CC[C@H]1CCCN(Cc2cc(C(C)(C)C)oc2C)C1 1665198766 IBRINBARNOSCHQ-HNNXBMFYSA-N 275.436 4.674 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)C[C@@H](C)CC 1678034999 YURWINXXDIAQNE-HOTGVXAUSA-N 294.483 4.589 30 10 CJEE C=C(C)c1cccc(NC(=O)N2[C@@H](C)CC[C@H]2CC)c1 1681067398 SJWYMGGRIPOACL-XJKSGUPXSA-N 272.392 4.515 30 10 CJEE C=CCCCN(CC)C(=O)NC[C@H]1CCCC[C@H]1CCC 1682000044 CQYXHUOPRQTLKE-IAGOWNOFSA-N 294.483 4.591 30 10 CJEE C=C1CC(CC[C@H](C)C(F)(F)F)(CNCC(C)C)C1 1876104980 SIPLHTGDXGBWJT-ZDUSSCGKSA-N 277.374 4.547 30 10 CJEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc(O)cc1 1877595432 JHRHEKDGIFLZGI-CABCVRRESA-N 263.425 4.792 30 10 CJEE CCCCCCCCOC[C@@H](NCCC)C1(C)CC1 1879660040 KFHSXLWRORQGHM-MRXNPFEDSA-N 269.473 4.532 30 10 CJEE C=CCCN(Cc1ccccc1)C[C@H](F)C1CCCC1 1882663921 KYOSPYKESFVPEV-SFHVURJKSA-N 275.411 4.593 30 10 CJEE CCCCCCCCCCN1CCC[C@@H](CC)C1=O 1883862632 RNZHYJSOFRGQDY-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CC(C)CCCCCN(CCC#N)CC1CCCC1 1884325208 ZVMSEAWVDKGBCM-UHFFFAOYSA-N 264.457 4.609 30 10 CJEE CC#CCCCC[C@@H](NCCC)C12CCC(CC1)C2 1885237619 PXRLAQZDHWQBBO-LXPRWKDFSA-N 261.453 4.519 30 10 CJEE C#CC[C@H](C)C[C@@H](NCCC)C1(C)CCC(C)CC1 1887466294 ZIEAVWSRLANIOJ-JDEYZFBPSA-N 263.469 4.621 30 10 CJEE C#CC[C@H](C)C[C@@H](NCC)[C@@H]1CCCC(C)(C)CC1 1887500401 MYBJOFQQLWBADT-GVDBMIGSSA-N 263.469 4.621 30 10 CJEE CC(C)CN(CC1(CS)CCCCCC1)C1CCC1 1889985857 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WFXGSJIOFJEXMW-VQHPVUNQSA-N 252.442 4.924 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(F)cc1F 1920460361 IPOITSSYFIUOJW-MRXNPFEDSA-N 269.379 4.889 30 10 CJEE N#C[C@@]1(C[C@@H]2CCCC3(CCC3)O2)CCCC12CCC2 1921634887 AZRCQMLPXSLWDX-RDJZCZTQSA-N 273.420 4.732 30 10 CJEE C=C([C@H](O)C1CC(C)(C)CC(C)(C)C1)[Si](C)(C)C 1923033042 ZSQDKGSDHPERLO-AWEZNQCLSA-N 268.517 4.633 30 10 CJEE C=C([C@H](NCCC)c1cc(C)ccc1Cl)C(F)(F)F 1925538248 IKNFKRVHTBNRKJ-ZDUSSCGKSA-N 291.744 4.808 30 10 CJEE CC1(C)CCC(N=C2N[C@@H](CC3CCCC3)CS2)CC1 1926661847 DBMWZWBVFBUWMA-HNNXBMFYSA-N 294.508 4.597 30 10 CJEE C=C(Cl)CC(=O)c1cscc1OCc1ccccc1 1934835152 AEBFGEHHLLUWKM-UHFFFAOYSA-N 292.787 4.652 30 10 CJEE C=CC[C@H](C)[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 1949010084 HFZKQAYEGBHPEW-ISVAXAHUSA-N 276.182 4.519 30 10 CJEE CC(C)(C)C#CCN(Cc1ccccc1)C1CCCCC1 1957440532 MUFWQFHWVNPYHR-UHFFFAOYSA-N 283.459 4.871 30 10 CJEE N#Cc1ccc(CSC[C@@H]2CCCCC2(F)F)cc1 1973012935 WDSZGRXOWVFHGK-AWEZNQCLSA-N 281.371 4.617 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CC=CCC1 1997602505 UHKUSRGKMISVDU-AWEZNQCLSA-N 266.171 4.786 30 10 CJEE C=C(Cl)CC[C@H](NCCC)c1cccc(C)c1 2003624860 BFHQHHVREFWBAP-HNNXBMFYSA-N 251.801 4.568 30 10 CJEE C=C(C)CCC[C@@H](NCC)c1cccc(Cl)c1 2003670511 HFZKVIRBJABMQQ-OAHLLOKOSA-N 251.801 4.737 30 10 CJEE C=CC[C@@H](C)C[C@H](NCC)c1ccc(Br)cc1 2003684867 XPEVFOHPWZHHLD-DOMZBBRYSA-N 296.252 4.702 30 10 CJEE CC#CCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 2019501333 TYLKLPCLMTXMKA-CQSZACIVSA-N 271.187 4.611 30 10 CJEE CC[C@@H]1CC[C@@](C=O)(CC[C@H]2CCCC2(F)F)C1 2027619858 CHYUFRNSONPDSF-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE CCCCCCCC[C@@H](NCC)C1(C2CC2)CC1 2028104915 JGNKRASJMLPEET-MRXNPFEDSA-N 251.458 4.905 30 10 CJEE CCCCCCCC[C@H](N)[C@@H](O)c1ccsc1Cl 2031368277 RSHMGVHXGRUPSJ-STQMWFEESA-N 289.872 4.513 30 10 CJEE CCCCCCCC[C@@H](NN)c1ccc(SC)s1 2032351065 IHAIOJQEZNVHBU-GFCCVEGCSA-N 286.510 4.725 30 10 CJEE O=C(C=C1CCCCC1)c1csc2ccccc12 2033418663 AJSNPJKJFFIZDZ-UHFFFAOYSA-N 256.370 4.975 30 10 CJEE C=C([C@@H](NCCC)c1ccc(Cl)cc1)C(C)(C)C 2035426321 MYRUQENWZSBIEN-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CCC[C@H](C)[C@H](CC(C)(C)C1CC1)NCCC 2040530620 RXZNYUOHUVJSOU-HOCLYGCPSA-N 251.458 4.783 30 10 CJEE CCC[C@](C)(C=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 2045977561 ASGVFJZXTGHGRC-AGIUHOORSA-N 264.331 4.751 30 10 CJEE N#C[C@@]1(Cc2scnc2Cl)CCCCC12CCC2 2053382858 IBDBLSZZVFLAGY-AWEZNQCLSA-N 280.824 4.593 30 10 CJEE O=C1C(=Cc2cccc(F)c2)CCc2c1[nH]c1ccccc21 2053535969 MEGRICGENMZDBR-UHFFFAOYSA-N 291.325 4.520 30 10 CJEE CCCCCCC[C@@H](NC)C1CC(C2CCC2)C1 2056679371 IRNZDJQVENDQTR-OFLPRAFFSA-N 251.458 4.761 30 10 CJEE CC[C@@](C#N)(CC1(COC)CCCCC1)C(C)C 2064488615 JXRYGHNPGGYLEI-INIZCTEOSA-N 251.414 4.549 30 10 CJEE C[C@H](Nc1cccc(Cl)c1C#N)C1(C)CCCC1 2067546179 SFEPPOOWWAFQQT-NSHDSACASA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@](C)(O)CC1C[C@@H]2CC[C@H]2C1 2068760853 KMBBQDFJQQRJQJ-ULQDDVLXSA-N 252.442 4.924 30 10 CJEE CCCC1CCC(C=O)(CC2(CCF)CC2)CC1 2074618911 KPSKLZWBFRNDIU-UHFFFAOYSA-N 254.389 4.692 30 10 CJEE C#CC[C@@H](COCc1cc(Cl)cc(Cl)c1)C1CC1 2077246298 GXBUSKMFMQAATR-ZDUSSCGKSA-N 283.198 4.560 30 10 CJEE CC(C)(C)[C@@H]1C[C@@H]1C[C@]1(C#N)CCCC(F)(F)C1 2079891676 VIHHBFBHOWCOFL-YRGRVCCFSA-N 255.352 4.778 30 10 CJEE Cc1cc(Cl)cc(Cl)c1N[C@@H]1CCCC[C@@H]1C#N 2081058105 DBTVULYJGSXTQH-ZWNOBZJWSA-N 283.202 4.796 30 10 CJEE CCCCCC#CC[C@@H](NC)C(CC)(CC)CC 2083440104 PVDZIJANCWLZIQ-MRXNPFEDSA-N 251.458 4.765 30 10 CJEE CCCCC#CCC(=O)c1ccc(C(C)(C)C)s1 2083497527 ICWCXFAEKRXPKY-UHFFFAOYSA-N 262.418 4.812 30 10 CJEE CCCC1CCC(C=O)(C[C@H](F)C2CCC2)CC1 2083772459 GJTQARLPRXVCEB-SIWZUTFBSA-N 254.389 4.690 30 10 CJEE CCCCCCCC[C@H](CCC1(F)CCC1)NC 2084763077 USAVTZAPWSFSRB-OAHLLOKOSA-N 257.437 4.997 30 10 CJEE C=CCCCCCCNCC[C@@H]1CCC[C@H](C)C1 2085845154 TYPUYFPNCXAXCF-IRXDYDNUSA-N 251.458 4.929 30 10 CJEE C=CCCCCCC[C@]1(O)CC[C@]2(C(C)C)C[C@@H]12 2085848178 XCXNGDZAJRCXTE-ZACQAIPSSA-N 250.426 4.700 30 10 CJEE C=CCCCCCCCC[C@]1(O)CC[C@H]2C[C@@H]2C1 2086260638 BOGSLTGERSMRPY-BBWFWOEESA-N 250.426 4.844 30 10 CJEE CC1(C)C[C@H]1CCC[C@]1(C#N)CCc2ccccc21 2088159896 DDPXDJLDDOVKKT-CRAIPNDOSA-N 253.389 4.611 30 10 CJEE CCCCCCCC[C@@H](CCC[C@@H]1CC1(C)C)NN 2088160917 LRYVUMGGCNGRJY-CVEARBPZSA-N 268.489 4.785 30 10 CJEE C=CCNCC(=C)c1ccc(C2CCCCC2)cc1 2092392510 FMULGDFIXSCSCI-UHFFFAOYSA-N 255.405 4.523 30 10 CJEE CC1(C)CCCC[C@@H]1[C@@H](N)CC#CC1CCCCC1 2093444364 TUPGKECGIQINFL-SJORKVTESA-N 261.453 4.504 30 10 CJEE CCCCCCCC[C@@H](N)CC1(COC)CCCC1 2094209833 BGRVNLJKAMMXDH-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCCCCCCCCC(=O)c1nccc(C)c1F 2097120513 ZKXKQDWGJBZDQT-UHFFFAOYSA-N 265.372 4.853 30 10 CJEE C[C@H]1CCC(C)(C)C[C@@]1(N)CC#CC1CCCCC1 2098467296 QWDMMVQJJKDQIH-YJBOKZPZSA-N 261.453 4.504 30 10 CJEE CCCCCCCNCC12CC3CC(CC(C3)C1)C2 2102194578 YQMKTLIRCPLFHY-UHFFFAOYSA-N 263.469 4.763 30 10 CJEE CC[C@@H]1CCC[C@H](N(C)C[C@H](CS)C(C)(C)C)CC1 2103254373 TZRFNCPNDNINTA-OAGGEKHMSA-N 285.541 4.869 30 10 CJEE C=C1CC(CC[C@H]2C[C@H]2C2CC2)(CNC(C)(C)C)C1 2103345772 XDQOYECGDZVWFV-HOTGVXAUSA-N 261.453 4.537 30 10 CJEE C=CCC[C@H](C)[C@@H](C[C@@H](C)c1ccccc1)NCC 2107928063 LVCUNNPHAUHMCU-LZLYRXPVSA-N 259.437 4.761 30 10 CJEE C=C(C)C[C@@H](NCC)c1ccc(Cl)c2cccnc12 2107991615 WXTWGLGDPIGLPL-OAHLLOKOSA-N 274.795 4.505 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1csc(C(F)F)c1 2108022611 PSXPYTIBZKLSDY-LLVKDONJSA-N 290.375 4.590 30 10 CJEE CCCC[C@](CC)(CC#CC1CC1)CNCC(C)C 2108199856 CGCZMWRIYPINFE-GOSISDBHSA-N 263.469 4.622 30 10 CJEE CCCC[C@@](C#N)(CC)[C@@](O)(CCC)C1CCCC1 2108212040 XFUSENRXIJNUNN-IAGOWNOFSA-N 265.441 4.818 30 10 CJEE CCCC[C@@](C)(C#N)c1c(C)cnc2ccccc12 2108213508 MPORYWKXALHQIQ-KRWDZBQOSA-N 252.361 4.515 30 10 CJEE CCCCCCCCCCNC[C@H](C)OCC(C)C 2109223018 UIEVOYPHNALVBL-KRWDZBQOSA-N 271.489 4.778 30 10 CJEE C#CCCCCC[C@H](N)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2109846857 TXGGIICZEFQRCR-MLHJIOFPSA-N 261.453 4.504 30 10 CJEE C=C([C@@H](C[C@@H]1CCC12CCC2)NCCC)C(C)(C)C 2110469258 AOMDBLDIDPBATR-JKSUJKDBSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@]1(F)CC[C@@H]2CCCN[C@H]2C1 2110642718 RRFROAUIGJZABU-ULQDDVLXSA-N 269.448 4.997 30 10 CJEE C=CC1(C[C@@H](NCCC)[C@H]2CCCC2(C)C)CCC1 2111712638 ZFHGGTBTZZLLKQ-HZPDHXFCSA-N 263.469 4.927 30 10 CJEE CC1(C)CCC[C@](C#N)(Cc2cc(F)ccc2F)C1 2112244994 PJQFVDPMOFUVDL-INIZCTEOSA-N 263.331 4.617 30 10 CJEE CCCCCCCCCN[C@@H]1[C@H]2CCCC(F)(F)[C@@H]21 2114367900 FGKPSSPKZJZMNM-SOUVJXGZSA-N 273.411 4.760 30 10 CJEE CCCC(CS)(CCC)CN1CCCC2(CCC2)C1 2114582615 IKODTJAMYNXICJ-UHFFFAOYSA-N 283.525 4.769 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1CCC[C@H](C(F)(F)F)C1)NC 2116659261 XPECRMPFWUPCGY-XDQVBPFNSA-N 277.374 4.545 30 10 CJEE CC(C)(C)CCOC[C@@]1(C#N)CCCCC12CCC2 2116991888 ACIDRYKYMUETLA-KRWDZBQOSA-N 263.425 4.693 30 10 CJEE CC(C)[C@H]1CCC[C@@H]1C(=O)CC#CC1CCCCC1 2119989958 KWSLAOPMGWJNJV-SJORKVTESA-N 260.421 4.602 30 10 CJEE CCCCCCC[C@@](C)(O)C(=O)C=C1CCCCC1 2120517084 UQVYHIBBBUMKRW-QGZVFWFLSA-N 266.425 4.558 30 10 CJEE C#Cc1cccc(N(C)Cc2c(Cl)cccc2Cl)c1 2122763597 OONMAJDRGZGROO-UHFFFAOYSA-N 290.193 4.611 30 10 CJEE C=CCCCC[C@@H](CSc1ccccc1C)NCC 2123079255 BSMIOJTZTLAJJC-INIZCTEOSA-N 277.477 4.812 30 10 CJEE C=CCCCC[C@]1(O)CCCC[C@H]1c1ccccc1 2123111479 KMSAGDHEAMIATD-ROUUACIJSA-N 258.405 4.822 30 10 CJEE C[C@H](CC(F)(F)F)C(=O)C1=CC[C@@H](C(C)(C)C)CC1 2125184265 BSOTZIHMUWEMJL-ZYHUDNBSSA-N 276.342 4.917 30 10 CJEE C#CCCCCC[C@H](C[C@@]12CCC[C@H]1C2)NCCC 2125636726 AIBMDXJHDBVJDB-KSZLIROESA-N 261.453 4.519 30 10 CJEE C=CC[C@@H](CNC(C)(C)C)C[C@H]1C[C@@H]2CCC[C@@H]2C1 2127026608 UHXLHRQCUSGRGR-VQHPVUNQSA-N 263.469 4.783 30 10 CJEE C=C1CC(CNCCC)(C2CC3(C2)CC(C)(C)C3)C1 2127317070 NLGZGQZGNSSJPE-UHFFFAOYSA-N 261.453 4.539 30 10 CJEE CCCCCCCN(C)CC(C(F)(F)F)C(F)(F)F 2127522525 WDPVOAKLEABZFU-UHFFFAOYSA-N 293.295 4.629 30 10 CJEE CCCCCCC[C@H](C)NCC1CC2(C1)CC21CC1 2127582436 XSXKJHWURUNMKO-HJOIGYKYSA-N 263.469 4.905 30 10 CJEE N#C[C@]1(CC2[C@H]3CCCCC[C@H]23)CCCC(F)(F)C1 2128446892 LYAKDGXISGYAQB-YDHLFZDLSA-N 267.363 4.922 30 10 CJEE C[C@H]1CC([C@H](C#N)c2cc(F)ccc2F)C[C@H](C)C1 2129195911 FFLDLCBIJCSMIM-HFAKWTLXSA-N 263.331 4.644 30 10 CJEE CCCCCCCC[C@H](CC[C@H](C)COC)NCC 2130970967 ZQTAFEKVMGYDNF-DLBZAZTESA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCC[C@H](O)C[C@@H]1C[C@H]1OC 2131637754 GKASOHBGWSDOQU-IXDOHACOSA-N 270.457 4.693 30 10 CJEE CCCCC#CC[C@@H](NCCC)C1CCCCCC1 2138958469 HHHGWBBCNLEECW-GOSISDBHSA-N 263.469 4.909 30 10 CJEE CCCCCC#CC[C@H]1C[C@H](NCC)CC(C)(C)C1 2138981198 KWBZIKRCTZJAMU-IRXDYDNUSA-N 263.469 4.765 30 10 CJEE CCC(CC)CC(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2139115461 OAELCDVPOLDTQH-CQSZACIVSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCC(=O)CCC1(N)CCCCC1 2141906839 YMNUPOALDQOKOB-UHFFFAOYSA-N 265.441 4.524 30 10 CJEE C=CCCCCCC[C@H](NC)[C@@H]1C[C@@H]2CCCC[C@@H]21 2141914491 RVNJKZRKTYIBSW-FJIDUMEYSA-N 263.469 4.927 30 10 CJEE C=CCCCCCC[C@H](NCC)[C@]1(CC)CC1(F)F 2141922300 OLXDUHNXJGEAJO-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=C(COC(C)C)[C@H](CC[C@@H](C)CCCC)NCC 2142149277 LQHCYQMSAYICON-RDJZCZTQSA-N 269.473 4.552 30 10 CJEE C=CCCCCCCCCN(CC(F)(F)F)C1CC1 2142393010 JZYCVFCYKHXNLA-UHFFFAOYSA-N 277.374 4.930 30 10 CJEE C=CCCCCCCCCN1C[C@@H]2CSC[C@]2(C)C1 2142395208 ZJIUAPYTSRSAJR-SJORKVTESA-N 281.509 4.588 30 10 CJEE C=CCCCCCCCCCC(=O)c1nc(C)c[nH]1 2142396678 GKMYVGCFEVJJLF-UHFFFAOYSA-N 262.397 4.598 30 10 CJEE C=CCCCCCCCCCO[C@H](CC)[C@@H](N)CC 2142405391 WLIZFZSTYTWWDI-DLBZAZTESA-N 269.473 4.826 30 10 CJEE C=CCCCCCCCCC[C@H](N)CCOC1CC1 2142426734 BCJZMRVDDLGVJU-INIZCTEOSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1NC 2142428576 TXFWOXRQRRQKKC-MDZRGWNJSA-N 285.412 4.504 30 10 CJEE C=CCCCCCCCCC(=O)c1csc(CN)c1 2142433024 VEFPSOZWKXMYGK-UHFFFAOYSA-N 279.449 4.696 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@](C)(N)CCC 2142443319 GIDYYUYNCPOMPR-IRXDYDNUSA-N 269.473 4.562 30 10 CJEE C=CCCCCCCCC[C@H](NN)c1csc(C)c1 2142449702 CRVQLJNULAVNLS-INIZCTEOSA-N 280.481 4.868 30 10 CJEE C=CCCCCCCCC[C@@H](CCP(C)(C)=O)NC 2142451645 YXUAXSWMRHFCST-INIZCTEOSA-N 287.428 4.894 30 10 CJEE CCCCCCCC[C@@H]1C[C@H](O)c2ccccc2O1 2142454105 XMBIBZFNUNGUBK-ZBFHGGJFSA-N 262.393 4.622 30 10 CJEE CCCCCCCCCNCc1cccc(C)c1O 2142464293 ODMPQBPUMKIYRO-UHFFFAOYSA-N 263.425 4.541 30 10 CJEE CCN(CCC(C)=C(C)C)[C@H](C)c1ccc(C#N)cc1 2143527975 MGWSYFOZCHVBPO-MRXNPFEDSA-N 270.420 4.688 30 10 CJEE C=CCCC(C)(C)CNCc1nc(C)c(C(C)(C)C)s1 2143745960 GUQGKXKMNIXGSE-UHFFFAOYSA-N 294.508 4.831 30 10 CJEE CCC[C@@H](C(=O)[C@H](C#N)c1ccc(F)cc1Cl)C(C)C 2144874908 XQLVWXOYHHZCAZ-TZMCWYRMSA-N 295.785 4.728 30 10 CJEE CCCCCCCCCCN1CCCCCNCCC1 2144946887 PXPJHAIKLFQQEW-UHFFFAOYSA-N 282.516 4.593 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H]2CCCOC2)C1 2145508457 JWYRPHISDWOVLQ-FPCVCCKLSA-N 295.492 4.501 30 10 CJEE CCCCCCC[C@@H](O)C(=O)c1ccc(C(F)F)cc1 2147035788 ZOVJTURJURCQLL-CQSZACIVSA-N 284.346 4.528 30 10 CJEE CCCCCCCCCC(=O)[C@]1(O)C[C@H]2CCCC[C@H]21 2147226946 BUXKLCSWKTTXMR-NUJGCVRESA-N 280.452 4.637 30 10 CJEE CCCN[C@H](CC#CC1CC1)[C@]12CCCC[C@H]1CCC2 2149059663 VINMYOXEVIAHDW-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE C[C@@H](Nc1ccc(C#N)cc1Cl)[C@@H]1C[C@H]2[C@@H](C1)C2(C)C 2149735499 GRHVRWIWYMYSHC-RUZUBIRVSA-N 288.822 4.694 30 10 CJEE N#C[C@]1(CC2[C@H]3CCCC[C@H]23)CCCc2ccccc21 2150168590 AOZBJCHPSSQCAX-TXPKVOOTSA-N 265.400 4.611 30 10 CJEE CCCCCCC[C@H](O)C(=O)c1csc2ccccc12 2150856439 MRJSBUQZPAYHEJ-HNNXBMFYSA-N 290.428 4.805 30 10 CJEE N#CC1([C@]2(O)CCCCCC2(F)F)CCCCCCC1 2152670602 CHGPAYTYDVRNEG-OAHLLOKOSA-N 285.378 4.571 30 10 CJEE CCCCCCCCC(=O)[C@@]1(O)CCCC(F)(F)CC1 2153729532 JXHVDUDDPBQGLI-OAHLLOKOSA-N 290.394 4.637 30 10 CJEE CCC1(CC)CSC(=NC[C@@H]2CCCC(C)(C)CC2)N1 2157110736 HZEQVWFYQPWODX-CQSZACIVSA-N 296.524 4.844 30 10 CJEE CC(C)C1([C@@H](O)[C@]2(C#N)CCCC(C)(C)CC2)CCC1 2157111467 LBOZREYJZRSIEV-DOTOQJQBSA-N 277.452 4.674 30 10 CJEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc2ccccc2c1 2158695503 SEQIHMQFTLSQHN-RBUKOAKNSA-N 265.400 4.847 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NCC1CC2(C1)CC(F)(F)C2 2158839570 SSPAJRMOXOWIRX-LSDHHAIUSA-N 283.406 4.536 30 10 CJEE CC[C@H]1CCC[C@H](CNc2c(C)cccc2C#N)CC1 2159509441 LBVFISCVWRCOLV-HOTGVXAUSA-N 270.420 4.885 30 10 CJEE C=C1CC(CNC(C)C)(C[C@@H]2CCC[C@H]2C(F)(F)F)C1 2159583254 DWAWTFZEHZQKRD-UONOGXRCSA-N 289.385 4.690 30 10 CJEE CCCCCCC[C@H](O)[C@H](NC)[C@@H]1CCCC(C)(C)C1 2163865747 AQHSQVPFLAELOF-IXDOHACOSA-N 283.500 4.512 30 10 CJEE C=C(C)CC[C@H](NC)c1ccc(OCCCCC)cc1 2164163290 SMADMQWKIOXZJX-SFHVURJKSA-N 275.436 4.872 30 10 CJEE CCCC[C@](C=O)(CC)Cc1cnc2ccccc2c1 2164473573 VMTXYPXYSKJCDJ-GOSISDBHSA-N 269.388 4.563 30 10 CJEE CCCCCCCCOc1nc(C)c(CNCCC)s1 2164480600 UYLLZKYZGMRNCP-UHFFFAOYSA-N 298.496 4.690 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)C1 2166051951 UNSSTWBZMKLJAF-OXGONZEZSA-N 284.390 4.843 30 10 CJEE CCC1(CC)CSC(=N[C@@H]2C[C@H]3CCCCCC[C@H]32)N1 2166178392 IOEDHYRYSVUKGY-RBSFLKMASA-N 294.508 4.597 30 10 CJEE CCN[C@@H](CC#CC(C)(C)C)C[C@H](C(F)F)C(C)(C)C 2167680219 RDJFNGBSINZNLR-UONOGXRCSA-N 287.438 4.722 30 10 CJEE C=C1CC(CNCC(C)C)(C[C@@]2(C)CCCC2(F)F)C1 2167991383 SLXPDYLGQMPFDC-OAHLLOKOSA-N 285.422 4.784 30 10 CJEE CCCC1CCC([C@](C)(O)[C@@]2(C#N)CCC[C@@H]2C)CC1 2168490712 JSMHBORPIJZPDG-VLMYXLFRSA-N 277.452 4.674 30 10 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FLPMKLAQKWBKHM-ZDUSSCGKSA-N 282.378 4.590 30 10 CJEE C=C(C)CN(c1c(Cl)cccc1CNC(C)C)C(C)C 2186468887 MHDPDPABEXQSCZ-UHFFFAOYSA-N 294.870 4.629 30 10 CJEE CCCC1CCC(C#N)([C@](C)(O)C2(C)CCCC2)CC1 2187715684 PHUGCBJMDFEQFX-IIIMJFFVSA-N 277.452 4.818 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1Nc1cc(CC)ccc1C#N 2188847338 UOCIDMJYVMFEAA-NVXWUHKLSA-N 268.404 4.667 30 10 CJEE C=C1CCC(C[C@@H](NCCC)[C@H]2C[C@@H]3CC[C@@H]3C2)CC1 2189072211 BCTWIUPTAHBQNT-FCGDIQPGSA-N 275.480 4.927 30 10 CJEE CCC[C@H]1CC[C@H](CN2CCCC(C)(C)[C@H]2C#N)CC1 2193073187 XKJVGLVZUKPXGE-BRWVUGGUSA-N 276.468 4.607 30 10 CJEE CC#CCCC[C@H](NCC(C)C)[C@H](C)c1ccccc1 2194058981 LAIGIJACKCAINM-MJGOQNOKSA-N 271.448 4.598 30 10 CJEE CCCCCCCN(C)c1ccc(CNCC)cc1Cl 2196730216 SQTBXNYSYPIUMF-UHFFFAOYSA-N 296.886 4.856 30 10 CJEE CCCCCCCCN(C)[C@@H](CN)c1ccccc1Cl 2196736869 MSQJQIIOHSTGDN-KRWDZBQOSA-N 296.886 4.632 30 10 CJEE C=C(c1ccccc1)[C@@H](NCC)[C@H](CC(C)C)C(C)C 2197154462 JBVHYZVTPIVGQZ-RTBURBONSA-N 273.464 4.996 30 10 CJEE CCc1ccc(C#N)c(N[C@@H]2C[C@@H]2C2CCCCC2)c1 2200183141 XCVSIYMGGUPFFG-SJLPKXTDSA-N 268.404 4.501 30 10 CJEE C[C@@H]1C[C@@](C=O)(CC2CC(C)(C)CC(C)(C)C2)[C@@H](C)O1 2203251562 SDLOCMAUGDGCQJ-LBTNJELSSA-N 280.452 4.612 30 10 CJEE CCCCCC#CC[C@H](NCC)c1c(C)cccc1F 2203788126 VARXWTGKBCSPGE-KRWDZBQOSA-N 275.411 4.759 30 10 CJEE CCCCCC#CC[S@](=N)(=O)c1ccc(C(C)C)cc1 2203843509 WOGBZJLZFVZWSJ-FQEVSTJZSA-N 291.460 4.799 30 10 CJEE CCCCCC#CCC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 2203880321 RLQQXYVMQRJPIO-UONOGXRCSA-N 288.353 4.898 30 10 CJEE CCCC[C@](C)(C#N)c1nnc(C2CCCCCC2)s1 2204953256 LDLUHEAXVDSWMP-MRXNPFEDSA-N 291.464 4.947 30 10 CJEE C=CCCCCCC[C@H](N)[C@](O)(CC)C1CCCCC1 2206883699 CCKASAVKLKPRMY-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCC(=O)[C@H](O)C1(SC)CC1 2207374408 BUSLFWYCEXTDRD-INIZCTEOSA-N 298.492 4.509 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(O)CCC(F)F 2207379300 YPEAAXMZSDLTHD-MRXNPFEDSA-N 290.394 4.659 30 10 CJEE C=CCCCCCCCCC[C@H](NC)[C@@H](CN)CCC 2207405786 UBXOAUUCWBJEOQ-MSOLQXFVSA-N 282.516 4.646 30 10 CJEE C=CCCCCCCCC[C@]1(C(=O)O)C[C@H](C)O[C@H]1C 2207426926 HQSXLCAPVIZCDC-ZOBUZTSGSA-N 282.424 4.562 30 10 CJEE C=CCCCCCCCCCNCC[C@@H](CC)COC 2207430494 VTMVPYOIZOKOMC-GOSISDBHSA-N 283.500 4.946 30 10 CJEE C=CCCCCCCCCC[C@@H](O)[C@H](N)CC(C)(C)C 2207433622 BNMFUFXEKWAESH-IAGOWNOFSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCCC[C@@H](NC)c1cc(C)on1 2207433888 AWYZXDPDZXUVQI-MRXNPFEDSA-N 278.440 4.940 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(C)CCCNC1 2207438545 RVRDDHXUQFJVNS-SFHVURJKSA-N 279.468 4.642 30 10 CJEE C=CCCCCCCCCC[C@@H](O)CCC[C@H](N)CC 2207438621 SEIGCSQBWCKIAN-QZTJIDSGSA-N 283.500 4.952 30 10 CJEE C=CCCCCCCCCC[C@@H](C[C@H](C)COC)NC 2207439123 RWVMQHJLSCOLGL-ROUUACIJSA-N 283.500 4.944 30 10 CJEE C=CCCCCCCCC[C@H](O)CCc1cccnc1 2207445025 AAKVHQDEJLNMFA-SFHVURJKSA-N 275.436 4.682 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)c1ccc(Cl)c(C)c1 2207447709 HNVFZNGQFCBLPP-SJORKVTESA-N 297.870 4.760 30 10 CJEE CCCCCCCC[C@H](O)[C@@H](NCC)c1ccc(C)s1 2207451340 BVENXERAHITXGX-DOTOQJQBSA-N 297.508 4.819 30 10 CJEE C=C(CC)C[C@](C)(N)c1cc(Cl)cc(Cl)c1 2211983017 OZZLEUNRDCDJEI-ZDUSSCGKSA-N 258.192 4.524 30 10 CJEE CCC(=CC(=O)c1ccc(F)c(C)c1Cl)CC 2214642192 MYPRQRIXMRGDFZ-UHFFFAOYSA-N 254.732 4.717 30 10 CJEE CCSc1cccc(SCC2CCC2)c1C#N 2216712496 PVDFFOSSDBXSKC-UHFFFAOYSA-N 263.431 4.562 30 10 CJEE Cc1csc([C@H](C#N)Nc2ccccc2Cl)c1C 2218809557 HAQUXCTXGHTHLD-ZDUSSCGKSA-N 276.792 4.695 30 10 CJEE C=CCCCCCCN(C)Cc1sc(C)cc1C 2218830221 RZPAXDLCTJDYFT-UHFFFAOYSA-N 265.466 4.933 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H](C)c1cccc(Cl)c1Cl 2219203361 BEUDTZIYWDAUGC-RYUDHWBXSA-N 284.230 4.692 30 10 CJEE C=CCCCCCCC[C@H](NC)c1nc(Cl)cs1 2220082024 BAYGUQUDSSYKEM-LBPRGKRZSA-N 286.872 4.974 30 10 CJEE C=CCCCCCCC[C@]1(O)CCC[C@H]2CC[C@@H]21 2220084963 VJPCQZAHDULLOQ-ULQDDVLXSA-N 250.426 4.844 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@@H]1CC1(F)F 2220090658 XQNXTYURGKGAPB-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H]1CCSC1(C)C 2220094552 WFMAWRHOJDFHQG-GJZGRUSLSA-N 269.498 4.762 30 10 CJEE C=C([C@@H](NCC)[C@@]1(C)CC=C(C)CC1)[Si](C)(C)C 2221633880 WMHHFTLSGZKEKP-CVEARBPZSA-N 265.517 4.535 30 10 CJEE N#C[C@]1(C[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCS1 2222953325 BQNAFFMRKFEDTF-QKPAOTATSA-N 263.450 4.772 30 10 CJEE CCCCCCCC[C@H](C)NC[C@H]1[C@H](C)C1(F)F 2223857159 LIXYBWRQXGOQCH-IHRRRGAJSA-N 261.400 4.616 30 10 CJEE C=C[C@@H](CCCCC)Oc1cc(Cl)cc(C=O)c1 2223951466 LWGCJHOWKXOFEG-AWEZNQCLSA-N 266.768 4.666 30 10 CJEE C=CCCCCCCCCN[C@H]1CC[C@H]1C(F)(F)F 2224568527 FZKKTPZGQISSBY-KGLIPLIRSA-N 277.374 4.834 30 10 CJEE C=CCC[C@H](C)[C@@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2225310383 FAKJJSQKZRBDBX-QXDIGNSFSA-N 263.469 4.783 30 10 CJEE C#C[C@@H](CC(C)C)N[C@@H]1CCSc2ccc(Cl)cc21 2226321096 CMXPAWQULUWINZ-DZGCQCFKSA-N 293.863 4.514 30 10 CJEE CCCCCCCCC[C@@H](O)CCC[C@@H](N)C(C)C 2227076541 QTIPHHJLJHVGNO-IAGOWNOFSA-N 271.489 4.642 30 10 CJEE C=CCCCCCCC[C@H](N)CC1CC(C(F)F)C1 2227287606 QFGHKDPVYQBSSM-NRXISQOPSA-N 273.411 4.912 30 10 CJEE N#Cc1ccnc(CSCCCCCCC2CC2)c1 2230900174 MHWJDRDASSADCR-UHFFFAOYSA-N 274.433 4.547 30 10 CJEE CCCCCCCCCO[C@@](C)(C(=O)O)C(C)(C)C 2231045636 VWJBMPDTGMOFLS-INIZCTEOSA-N 272.429 4.643 30 10 CJEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(Cl)ccc1F 2231575125 TUQKIFAMCLHSMO-OLZOCXBDSA-N 283.818 4.602 30 10 CJEE O=CC1(Cc2ccc(C3CC3)cc2)CCCCCC1 2231594010 LXFAJOMOOSSMSC-UHFFFAOYSA-N 256.389 4.646 30 10 CJEE C=CCCCCCCCCOCCCCCNC1CC1 2234053589 LAZAQZFMVGFROZ-UHFFFAOYSA-N 281.484 4.842 30 10 CJEE C=CCCCCCCC[C@@]1(CNCCC)CCCOC1 2235521723 MBFNZSDUXHQJLJ-SFHVURJKSA-N 281.484 4.700 30 10 CJEE C=CCCCCCCC[C@H](O)c1cccc2c1OCC2 2235536609 WVCXQQIMUAFKNA-KRWDZBQOSA-N 274.404 4.572 30 10 CJEE C=CCCCCCCC[C@H](N)c1cccc2c1OCC2 2235538635 JODVJQBZOOYHQA-KRWDZBQOSA-N 273.420 4.538 30 10 CJEE C=CCCCCCCCN1CCCCC[C@H]1C[C@H](C)O 2235538757 KXXCUNUKFZYYML-ROUUACIJSA-N 281.484 4.529 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2ccc(C(C)(F)F)nc2)C1 2237654253 SUFKBWVMZKOCHH-MLGOLLRUSA-N 278.346 4.555 30 10 CJEE CCCCCCCCCO[C@@](C)(C(=O)O)[C@@H]1CC1(C)C 2239516682 XWFTZOJEBZBYTG-RHSMWYFYSA-N 284.440 4.643 30 10 CJEE CCCC[C@H](C)CC[C@@H](C#Cc1cccc(Cl)c1)NC 2239563553 RSXPZRUROZUHFR-YJBOKZPZSA-N 291.866 4.886 30 10 CJEE C[C@@H](CC(C)(C)C#N)OCc1ccc(C(F)(F)F)cc1 2239603762 DUPIJBHKENXCNY-NSHDSACASA-N 285.309 4.550 30 10 CJEE C=C[C@](C)(CNC1CCC1)Cc1ccc(C(C)C)cc1 2240109298 FDQLKMVIJNVHBB-IBGZPJMESA-N 271.448 4.687 30 10 CJEE CCCCCCCC[C@](C)(O)c1nnc(C(C)(C)C)s1 2240618485 SUUDSPRFWIGGLL-INIZCTEOSA-N 298.496 4.794 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](NC)[C@@H]1CC[C@H](C)C1 2240649424 OTYAVFCHWBIVCF-MLHJIOFPSA-N 283.500 4.512 30 10 CJEE CCCCCCCC[C@](C)(O)[C@H](N)c1ccc(CC)s1 2240654345 QOUJIBDCXNYNEH-SJORKVTESA-N 297.508 4.812 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@H]1CC[C@H](OCC)C1 2240665848 HNVAJWABTJXEOD-KSZLIROESA-N 283.500 4.920 30 10 CJEE CCCCCCCC[C@H](C)NC[C@@]12CC[C@@](C)(C1)OC2 2240665960 IMBWZOZVFMPBLX-OKZBNKHCSA-N 281.484 4.674 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)c(C)c1 2240764805 WXNQEJPDTPXKAC-RKVPGOIHSA-N 275.411 4.920 30 10 CJEE CC(C)[C@@H](C)N(Cc1ccccc1)Cc1ccsc1C#N 2242379849 VNESPKFJDGECDY-OAHLLOKOSA-N 298.455 4.666 30 10 CJEE C#CCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2249735295 ABQVXPFUAKBYHL-CQSZACIVSA-N 271.187 4.529 30 10 CJEE C=C(C)CCCC[C@H](N)c1cc(F)ccc1Cl 2250167221 PXZPXRPAMSUPRG-AWEZNQCLSA-N 255.764 4.615 30 10 CJEE C=CCCCCc1cc(Cl)sc1CNC1CC1 2250715885 KTGIVINSUZBZTN-UHFFFAOYSA-N 269.841 4.552 30 10 CJEE CC(C)(C)C#CC=CCC(=O)c1ccc(Cl)cc1 2256709194 CCZOQZJFCZHUNN-UHFFFAOYSA-N 260.764 4.519 30 10 CJEE C=CCCCCCCCSCc1ccc(Cl)nn1 2259055963 AIHKSUJSKUTPTF-UHFFFAOYSA-N 284.856 4.890 30 10 CJEE C=C(C)CCCC[C@H](O)[C@]1(C)CCCCC1(F)F 2259198473 IUUVVEWHIGHXQN-KBPBESRZSA-N 260.368 4.699 30 10 CJEE C=C(C)CCCC[C@@](C)(O)Cc1ccc(Cl)cc1 2259212582 WKYGIZMBHGAEFW-MRXNPFEDSA-N 266.812 4.770 30 10 CJEE CCC(CC)(CS)COC[C@H]1CC(F)(F)C12CCC2 2266129835 KGVMMNYYDIXNFS-GFCCVEGCSA-N 292.435 4.565 30 10 CJEE C[C@@H]1CCCC[C@@]1(C#N)C[C@H]1CC(F)(F)C12CCC2 2266259350 FKIRXLWUFHCRGB-RDBSUJKOSA-N 267.363 4.922 30 10 CJEE Cc1ccccc1N[C@@H](C#N)c1csc(C2CC2)c1 2267849611 OWNKXXPCXYLSJH-HNNXBMFYSA-N 268.385 4.611 30 10 CJEE CC(C)C(C)(CNCCCCC(C)(C)C#N)C(C)C 2268510358 JSAHTEYLEVMBCR-UHFFFAOYSA-N 266.473 4.614 30 10 CJEE CCCN[C@@H](CC=CC#CC(C)(C)C)[C@@H](C)CCC 2268756806 JHWUIUMLWIUPDW-IRXDYDNUSA-N 263.469 4.787 30 10 CJEE C=C(C)CCCC[C@H](NC)c1ccc(F)c(F)c1F 2271834895 LENVGGQERRIUSK-ZDUSSCGKSA-N 271.326 4.501 30 10 CJEE CCN[C@@H](C#CC1CCCCC1)[C@H](CC)CC(C)C 2273965398 LCFYUJHOMGRNKE-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCC[C@H](C(C)C)[C@H](C#CC1CCCCC1)NCC 2274074652 YWYAYZGALBBCEU-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCCC[C@@](C)(CC#CC1CCCC1)CNCCC 2274166330 JHBUXCSWPUFCTN-SFHVURJKSA-N 263.469 4.766 30 10 CJEE CC1(C)CCC([C@@](C)(O)CC#CC2CCCC2)CC1 2274180455 IBJVKVBETFTCAM-SFHVURJKSA-N 262.437 4.538 30 10 CJEE CCCCCCCCC[C@@H](OCC(=O)O)[C@@H](C)CC 2274754720 QDNGDSYKQJEESU-LSDHHAIUSA-N 272.429 4.643 30 10 CJEE C=CCCCCCCCC[C@@H](OCCN)[C@@H](C)CC 2276147144 GDMZHPQGKKFHHV-DLBZAZTESA-N 269.473 4.683 30 10 CJEE CCCCCCC[C@](C)(OCCCN)[C@H](C)CCC 2276475086 LECRZBRSOQODTB-SJORKVTESA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@]1(OCCCN)C[C@@H](C)[C@H]1C 2277378420 UGVIFVXFKJKUJK-ZACQAIPSSA-N 269.473 4.517 30 10 CJEE CCCCCCCCC[C@@H](C)N(CC)C[C@H](N)CC 2278125789 XMBJPQMCHUBNIJ-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1C[C@@]12CC2(F)F 2278234746 AMGPUMLZXVZMDB-SOUVJXGZSA-N 273.411 4.903 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@@H](CCCC)NC 2278244528 JVNFQQLVYGHACJ-IAGOWNOFSA-N 271.489 4.656 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc2scnc2c1 2278679290 HQNFEIQSQPNESV-MLGOLLRUSA-N 274.433 4.549 30 10 CJEE CCCCCCCCNCc1nc(C(F)(F)F)cs1 2278710547 VSKYGXWYHXDACC-UHFFFAOYSA-N 294.386 4.612 30 10 CJEE CC(C)(C)C#CC=CC[C@@](C)(N)[C@@H]1CCCC(C)(C)C1 2284087870 CNYILCUITQESQZ-VQIMIIECSA-N 275.480 4.916 30 10 CJEE CC(C)CCC[C@@H](C)CCOCc1ccccc1C#N 2284904290 XAKROHZHXDRIFT-MRXNPFEDSA-N 273.420 4.927 30 10 CJEE C=CCCCCCCCSCC1CCC(N)(C#N)CC1 2287097216 SVXHLWKJVZYWNI-UHFFFAOYSA-N 294.508 4.657 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@H]1CCC[C@]2(C1)CC2(F)F 2287409585 WPTZUCJSCFDKMB-PMPSAXMXSA-N 285.422 4.927 30 10 CJEE O=C[C@@]1(CC2CC3(CC(F)C3)C2)CCCCC12CCC2 2287775833 OFQQQRJGHLYOOD-GUZDXLFXSA-N 278.411 4.834 30 10 CJEE N[C@H](C#CC1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2289681109 JQCSXFDVFMKRHV-NCXUSEDFSA-N 273.464 4.504 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)CC(C)(C)C(F)(F)F 2289881015 KDKPKNHWKAUTFE-AWEZNQCLSA-N 289.385 4.527 30 10 CJEE CCCCCCC[C@@H](OCC(=O)O)[C@@]1(C)CC=CCC1 2290900741 RRROOJJQBMWNIC-WBVHZDCISA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@](C)(CCC1CCC1)OCC(=O)O 2292140920 IWCFKPYYPBHWSH-QGZVFWFLSA-N 284.440 4.787 30 10 CJEE C=CCCCCCC[C@@]1(OCCN)CCCC12CCC2 2292802628 KKRPHABKUHZZLY-GOSISDBHSA-N 279.468 4.581 30 10 CJEE C=CCCCCCCC1(OCCN)CCCCCCC1 2292804407 ZIGNZZMJZYWOGJ-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CCCCCCC[C@](C)(OCCCN)C(C)(C)C(F)F 2293649899 UIELGAGDIQXRBB-INIZCTEOSA-N 293.442 4.762 30 10 CJEE C=CCC[C@H](C)[C@@]1(OCCCN)CC(C)(C)CC[C@H]1C 2294244014 XGRVGMJFEIODKT-JZXOWHBKSA-N 281.484 4.539 30 10 CJEE C[C@@H]1CCC[C@](C#N)(c2ccc3cc(Cl)ccc3n2)C1 2294976301 IALULIKLKGLGEH-PXAZEXFGSA-N 284.790 4.860 30 10 CJEE O=C(C=Cc1ccccc1)c1ccc2[nH]cnc3cccc1c32 2295176461 RFPSGLGXMUTAFY-UHFFFAOYSA-N 298.345 4.612 30 10 CJEE CCCCCCCCC[C@@]1(C)CNC(=N)N1[C@@H](C)CC 2295674897 WJUKTBNYXUBWQV-RDJZCZTQSA-N 281.488 4.524 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@@H](O)C1(C)C 2295680920 BOFVCIMQVODBDJ-GVDBMIGSSA-N 283.500 4.655 30 10 CJEE Cc1ccc(C=C2Sc3ccccc3C2=O)c(C)c1C 2297453681 JGWLFPUDWZBTEU-UHFFFAOYSA-N 280.392 4.941 30 10 CJEE CCCC(CS)(CCC)CSCC[C@@H](C)OC 2300056710 IXSKZRRDFDJDOI-CYBMUJFWSA-N 278.527 4.661 30 10 CJEE C=CCC[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C 2304904599 HUMOFAFHSTWGGN-CYBMUJFWSA-N 297.236 4.682 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccsc1)[C@@H](N)CC 2313528838 IFPNFORLAWHHCD-GJZGRUSLSA-N 281.490 4.781 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@@H](SC[C@H]2CC[C@H](C)CC2)C1 2313809577 WWMAQSCAHYMVPC-QCODTGAPSA-N 265.466 4.874 30 10 CJEE CC[C@@](C=O)(C[C@H]1C[C@H]2CCC[C@H]1CC2)C(C)C 2316861174 PDXDPYMTJJTSOJ-NXOAAHMSSA-N 250.426 4.844 30 10 CJEE CCC[C@@H](OCC[C@@H](C)CCS)c1ccccc1 2318100423 AVEPVQPWNDCXFM-GDBMZVCRSA-N 266.450 4.891 30 10 CJEE CCC[C@@](C)(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1C 2318151804 YUJKZCMLDHXAEN-KGLIPLIRSA-N 286.202 4.665 30 10 CJEE C=C1C[C@@H]1C[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2318353738 ZFJYNKOXIMEUOJ-RNCFNFMXSA-N 288.193 4.749 30 10 CJEE C=C[C@@](C)(CNCC(C)C)C[C@@H]1CCC(C)(C)C1 2319070566 CXGNZGKKDXIOTG-NVXWUHKLSA-N 251.458 4.641 30 10 CJEE C=CC[C@](C)(CC)[C@H](NCCC)[C@@H]1[C@@H](C)C[C@H]1C 2321096329 QRFAYNRJNRKZPX-HMDCTGQHSA-N 251.458 4.639 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)cc(F)c1Cl 2321107769 JIJOAZACEKDPAK-CYBMUJFWSA-N 290.209 4.995 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C)c(Cl)cc1F 2321225372 PKTODEYOZMFYQW-GJZGRUSLSA-N 270.775 4.813 30 10 CJEE CCCC#CCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2327858586 QSIJYHNBLVNNKA-LBPRGKRZSA-N 284.230 4.756 30 10 CJEE CCCCCCCC[C@@H](NC)[C@@H]1C[C@@]1(C)C(F)(F)F 2329634691 XFFWAWGOLWSPSR-BFHYXJOUSA-N 279.390 4.914 30 10 CJEE C=CCC(CC=C)SCc1cccc(C(=O)O)c1Cl 2335097027 SYYROZWAZXPLJX-UHFFFAOYSA-N 296.819 4.792 30 10 CJEE C=CC[C@H](C)Sc1ccc(C)cc1CNC1CCC1 2335249217 WBKCBCIYZRBUAL-AWEZNQCLSA-N 275.461 4.694 30 10 CJEE CCCCCCC[C@@H](C#CC1(SC)CC1)NCCC 2336181866 FUBUDAFRXMQADI-INIZCTEOSA-N 281.509 4.614 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(F)c1 2337112755 FUMPFHUGHNFULE-CKEIUWERSA-N 261.384 4.530 30 10 CJEE C=CCC(CC=C)[C@@H](NCCC)c1ncc(SC)s1 2338700585 XIYOCTZMBPCLBS-CQSZACIVSA-N 296.505 4.674 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@@H]1CCCC1(F)F 2338743555 GORFFUGDQYOAIM-GJZGRUSLSA-N 271.395 4.558 30 10 CJEE CCCCCCCCCC[C@]1(F)CCC2(CNC2)C1 2339792357 COWMROBETIJWHK-KRWDZBQOSA-N 269.448 4.999 30 10 CJEE C=CCC(CC=C)Sc1ccc([C@H](C)N)c(C)c1C 2340858753 CCGACZHSMNSUBO-AWEZNQCLSA-N 275.461 4.936 30 10 CJEE CC#CCCCCNCCCc1cc(Cl)cc(Cl)c1 2341165075 FMEYPCIKIXGOBN-UHFFFAOYSA-N 298.257 4.709 30 10 CJEE CCCCCCCN(C)Cc1cccnc1C(C)C 2342164494 PMOTUWFCDVIKPA-UHFFFAOYSA-N 262.441 4.607 30 10 CJEE C=C(C)CC(=O)C[C@@H](c1ccccc1)C1CCCC1 2342473664 XQTFIFHGSUMMPD-SFHVURJKSA-N 256.389 4.886 30 10 CJEE C=C1CC(NCCCCCCC2CC2)(C(F)(F)F)C1 2342637796 TVLXMWIFZSJUCW-UHFFFAOYSA-N 275.358 4.588 30 10 CJEE CC1(C)CCC[C@@](C=O)([C@H](CC2CC2)C2CC2)CC1 2343967703 WRKNINDJSJTKCV-SJLPKXTDSA-N 262.437 4.988 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ncc(C(F)F)s1 2344346578 UGVWBRZZNGUXEO-SMDDNHRTSA-N 288.407 4.724 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(F)c(F)c1C 2344356167 LDTOZNNCFCGGHA-BDJLRTHQSA-N 267.363 4.526 30 10 CJEE C=CCC(C)(C)C(=O)c1cc(C(F)(F)F)ccc1C 2344378347 LOHGSLVVWVLDHZ-UHFFFAOYSA-N 270.294 4.799 30 10 CJEE C=CCC(C)(C)[C@H](NCCC)c1nccc(Cl)c1F 2344381933 OGPUUZKRIOORJP-CQSZACIVSA-N 284.806 4.517 30 10 CJEE C[C@@H]1c2ccsc2CCN1C[C@@](C)(CS)C(C)(C)C 2352290777 QJMOXHGPZJGSFM-WBMJQRKESA-N 297.533 4.649 30 10 CJEE CCCCCCCCN1CCNc2cccc(C)c21 2352960549 NCMZZTADMGDHLY-UHFFFAOYSA-N 260.425 4.587 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1 2359139337 YDKCMROAKUIBKU-RGUZKJPTSA-N 275.436 4.692 30 10 CJEE C=CCC(CC=C)SC[C@](C#N)(NC(C)C)C(C)(C)C 2360208798 UEGYYSDYHDLAAB-KRWDZBQOSA-N 294.508 4.547 30 10 CJEE CCCCCC[C@@H](C)Nc1cc(C#N)cc(F)c1C 37089250 PIXWPLFMTOHLEO-GFCCVEGCSA-N 262.372 4.777 30 10 CJEE C[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153986 LPPGCMULUPQTTF-COPLHBTASA-N 288.441 4.717 30 10 CJEE N#C[C@@H](Nc1ccc(Cl)cc1)c1c(F)cccc1Cl 37936093 NTEHLAHSNUBHOU-CYBMUJFWSA-N 295.144 4.809 30 10 CJEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2OC)C1 41030605 RLCHOESOOAGARD-WOSRLPQWSA-N 275.417 4.506 30 10 CJEE CC[C@H](CC#N)Nc1cccc(Oc2ccccc2)c1 42188901 GMWZDEOXCDZQFM-CQSZACIVSA-N 266.344 4.583 30 10 CJEE Cc1ccccc1CS[C@@H](CC#N)c1ccccc1 55023048 RIOKSYBDCILYNZ-KRWDZBQOSA-N 267.397 4.883 30 10 CJEE Cc1cc(C)c(OCC[C@@H](C#N)c2ccc(F)cc2)c(C)c1 57685774 BNOJHQWVJBTPGK-KRWDZBQOSA-N 297.373 4.827 30 10 CJEE C[C@H]1CCC/C(=C/Sc2ccc(Cl)cc2)C1=O 62723641 LPOFHJNXHKBVRX-RGAIUGGKSA-N 266.793 4.705 30 10 CJEE CC[C@@H]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 71132148 RXINTAYCEMJCMS-BXUZGUMPSA-N 297.320 4.925 30 10 CJEE CCc1oc(-c2cccc(O[C@H](C)CC)c2)cc1CC#N 77077013 UZAXAVIELBFUBP-CYBMUJFWSA-N 283.371 4.752 30 10 CJEE CCCCCn1cc(C(=O)CC#N)c2c(Cl)cccc21 84861358 JGIAKCHNFYAKCC-UHFFFAOYSA-N 288.778 4.581 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2)C1 87930462 MZUHXSGGEDZZKQ-DOMZBBRYSA-N 292.220 4.712 30 10 CJEE CC[C@@H]1CCC[C@@](O)(C2(C#N)CCCCCC2)CC1 91903336 HVIMGUFXYDFPEY-WBVHZDCISA-N 263.425 4.572 30 10 CJEE CCCC(CS)(CCC)CN(C)Cc1cccs1 94579035 SQJDZWPMOGFLFB-UHFFFAOYSA-N 285.522 4.696 30 10 CJEE C=C(C)CN(CC)c1cc(C)c(F)cc1[C@H](C)NCCC 94765494 PMHIEHMBUFFIMV-HNNXBMFYSA-N 292.442 4.597 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1Cl 97635663 FZDXUQZRJYZHMC-VIFPVBQESA-N 292.716 4.663 30 10 CJEE SCCCCCCCCCSc1ccncc1 97800154 CFEOAGBGBLKYRT-UHFFFAOYSA-N 269.479 4.834 30 10 CJEE CCCCCCCC(=O)Nc1ccc(F)c(Cl)c1 100168600 RTBPXVHGJZZENM-UHFFFAOYSA-N 271.763 4.778 30 10 CJEE CCCC1CCC(Nc2cc(C#N)ccc2C)CC1 109945292 LYIPRAVHBAOKGR-UHFFFAOYSA-N 256.393 4.638 30 10 CJEE CCCCCCCC[C@H](O)c1[nH]c(C)c(C)c1C 115064754 NSIRPMJVRNKTIK-HNNXBMFYSA-N 251.414 4.724 30 10 CJEE CCCCCCCCCCCC[C@](C)(O)CNCC 116658961 XTJFSFSHUNMOHR-KRWDZBQOSA-N 271.489 4.658 30 10 CJEE CCCCCCCCCCCC[C@H](C#N)C(=O)O 117645075 CKPCQIAKSJQNOD-CQSZACIVSA-N 253.386 4.522 30 10 CJEE CCCCCCCCCCCCC(=O)C[C@@H](C)CN 122145156 PQLOBKKQDYPEER-MRXNPFEDSA-N 269.473 4.851 30 10 CJEE CCCCCCCC[C@H](CC1CCCCCC1)NN 122367784 YBEGHANEGHVHIG-QGZVFWFLSA-N 268.489 4.929 30 10 CJEE N#CC[C@@H](Nc1c(F)cc(F)cc1Cl)c1ccccc1 124204974 VACIDUQWUQOQTC-CQSZACIVSA-N 292.716 4.685 30 10 CJEE CCCCCCCCCCC[C@@H](Cc1ccco1)NN 124570109 NQDHMMRTQPSTMB-INIZCTEOSA-N 280.456 4.575 30 10 CJEE Cc1cc(NCc2cccc3ccccc23)ccc1C#N 126349054 WPTZSZNFIXNLOT-UHFFFAOYSA-N 272.351 4.632 30 10 CJEE CCCCCCCC[C@H](NCCC)[C@@H](C)CCOC 128329626 OTQRCURXLSDVNX-IRXDYDNUSA-N 271.489 4.778 30 10 CJEE CCCCCCCCCCNc1cccnc1C#N 130076265 VCMPONYWLRRPIS-UHFFFAOYSA-N 259.397 4.506 30 10 CJEE C#CCCC[C@@H](NCCC)c1ccc2ccccc2c1 134012874 IHFZTUBDANJDMK-LJQANCHMSA-N 265.400 4.684 30 10 CJEE CCCCCCCCC[C@H](O)C(CC)(CC)OC 161926956 UQGLNHAYOJJVOR-HNNXBMFYSA-N 258.446 4.693 30 10 CJEE N#Cc1cc(F)cc(CNc2cc(Cl)ccc2Cl)c1 162876088 NGIZYMRRUZPXNA-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE C=CCC[C@H](NCCC)c1cc(C)ccc1Br 167781498 IIEXYWPYMPXMHX-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE CCCCCCCC[C@H](O)c1ccc(C)cc1F 168338602 ZBHOBADYRYNOBF-INIZCTEOSA-N 252.373 4.918 30 10 CJEE C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CCC(F)(F)F 185830567 OWNWMRLNWSHYMX-GFCCVEGCSA-N 299.336 4.722 30 10 CJEE CC1(C)OB(Cc2ccc(-c3ccccc3)cc2)OC1(C)C 201557012 HVZYBNBNMYIFJZ-UHFFFAOYSA-N 294.203 4.528 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 214507212 COKNWDNLGQUTIQ-HOCLYGCPSA-N 276.811 4.838 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCc2cccc(C)c2)C1 222884256 FPXSYVYHRZLHPY-OIISXLGYSA-N 273.445 4.947 30 10 CJEE C=C(C)C[C@H](NCCC)c1cccc(Br)c1C 229736972 RPKWILVJXCQULM-HNNXBMFYSA-N 296.252 4.764 30 10 CJEE C=CCCCCC[C@@H](O)C(C)(C)c1ccc(F)cc1 232535126 QALKQNYBNURLMO-MRXNPFEDSA-N 264.384 4.601 30 10 CJEE CCCCCCCC[C@@H]1C(=O)Nc2c(F)cccc21 232936941 RMHAULPXVIHCMA-ZDUSSCGKSA-N 263.356 4.612 30 10 CJEE C=CCCCCC[C@H](NCC)c1ccc(OC)c(C)c1 233545237 XBHWUPPINLQSHT-KRWDZBQOSA-N 275.436 4.791 30 10 CJEE C=CCCCCC[C@H](CS[C@@H](C)CC)NCC 233602263 DEGNPYJNHPHIKE-LSDHHAIUSA-N 257.487 4.633 30 10 CJEE C=CCCCCC[C@@H](Cc1ccc(F)cc1Cl)NC 234426853 IBXKEBWSVGONLN-HNNXBMFYSA-N 283.818 4.746 30 10 CJEE COc1cc(Cl)ccc1C(=O)C1=CCCCCCC1 234805449 VGXTTXBQBGCSBC-UHFFFAOYSA-N 278.779 4.812 30 10 CJEE CCCCCCCCCN1C[C@H](C2CC2)NC[C@H]1CCC 250824618 MUEUFSMGWNHWOK-RTBURBONSA-N 294.527 4.590 30 10 CJEE CC(C)[C@H](N[C@@H]1CCCCC[C@H]1C#N)c1cccs1 251321901 MJQKWECNYAYXOH-LZWOXQAQSA-N 276.449 4.507 30 10 CJEE CC(C)[C@@H](C#N)c1ccc(C(F)(F)C(C)C)cc1 259498628 NSYZRKKVWUYDAP-CQSZACIVSA-N 251.320 4.698 30 10 CJEE CN[C@H](CC#CC(C)(C)C)c1cc2sccc2s1 302269350 QXHNHBVCKPXIAZ-LLVKDONJSA-N 277.458 4.663 30 10 CJEE CC(C)(C)CC[C@](C)(O)C1(C#N)CCCCCCC1 311545419 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PLDZKKQQTVRKNB-IAGOWNOFSA-N 270.505 4.575 30 10 CJEE CCCC1(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CC1 389084314 BUKKWTCEENKYJO-SNVBAGLBSA-N 296.197 4.750 30 10 CJEE N#CCc1cc2c(C(F)F)csc2cc1Cl 396196551 XRILZJHHEOKXAY-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE N#C[C@@H](CSC1CCCCC1)C1CCCCC1 397079970 AEWPJYCMZLKHPP-AWEZNQCLSA-N 251.439 4.772 30 10 CJEE C[C@@H](CCC(C)(C)C)NC[C@@H](C#N)C1CCCCC1 397197641 OINQFANMIMLHOC-GOEBONIOSA-N 264.457 4.511 30 10 CJEE C[C@H](c1cccc(Cl)c1)N(C)C[C@H](C#N)C(C)(C)C 397493825 NVBDGZVWVIQWCM-OCCSQVGLSA-N 278.827 4.519 30 10 CJEE CC(C)(C)[C@@H](C#N)CNc1cc(Cl)c(F)c(Cl)c1 397505054 DWOUGBWIPKXTGQ-QMMMGPOBSA-N 289.181 4.730 30 10 CJEE CC(C)[C@H](/N=C1/N[C@@](C)(C(C)C)CS1)c1cccs1 398571077 LPWGADRWTMCYEO-DZGCQCFKSA-N 296.505 4.552 30 10 CJEE Cc1cc(OCc2ccc(CC#N)cc2)cc(C)c1Cl 399004096 VUOSWEFHXYNJLI-UHFFFAOYSA-N 285.774 4.602 30 10 CJEE C=C(CC)C[C@H](NCCC)[C@H](CC)CC(F)(F)F 402657549 VOOKTZKFQPOXPG-OLZOCXBDSA-N 265.363 4.690 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccoc1C(C)C 410347121 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694078507 NKJZMZNYBXZYPE-MRXNPFEDSA-N 294.508 4.598 30 10 CJEE C[C@H](CC(C)(C)C#N)Sc1ccc(Br)cc1 695892053 MTQSUKAGKSEJMU-SNVBAGLBSA-N 298.249 4.870 30 10 CJEE C=C1C[C@H]2CC(Nc3ccc(F)cc3F)C[C@@H](C1)C2 697307193 SBVSJYSNVNNSBJ-ONXXMXGDSA-N 263.331 4.512 30 10 CJEE CCCCCCCCCC[C@@H](NC)c1ccnnc1C 701815515 WZKDPPYWMKLHMP-QGZVFWFLSA-N 277.456 4.576 30 10 CJEE C=CCCCCC[C@H](NCCC)[C@]1(C)CC1(C)C 702199521 AKTHSUAVVOJILG-RDJZCZTQSA-N 251.458 4.927 30 10 CJEE CCSc1cccc(OCCCCC(C)C)c1C#N 703569841 RLOCJGUHWLBUMI-UHFFFAOYSA-N 277.433 4.875 30 10 CJEE CCCCCCCNCc1cc(C)cc(Cl)c1 703714511 PYZVETKLBNVCMA-UHFFFAOYSA-N 253.817 4.708 30 10 CJEE N#CC1([C@@]2(O)CCCC[C@@H]2C2CC2)CCCCCCC1 710205488 TUTSJPTWEVYELN-SJLPKXTDSA-N 275.436 4.572 30 10 CJEE C=C(Cl)C[C@@]1(CNC(C)(C)C)CCCC[C@@H]1C 710679474 POZXBPWDJJQZIB-SWLSCSKDSA-N 257.849 4.714 30 10 CJEE CCCC1CCC(C#N)(C[C@H]2CCC3(CCC3)O2)CC1 712396264 IBWXGYMYROTZLR-AQFXKWCLSA-N 275.436 4.978 30 10 CJEE CC(C)CCC[C@H](C)/N=C1/NC2(CCCCCC2)CS1 713233163 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1230134042 GUCSMUHIJPNUDX-UHFFFAOYSA-N 294.483 4.735 30 10 CJEE C=CCC1(C(=O)Nc2ccc(Cl)nc2C)CCCCC1 1270982387 KKBIYRMOOQMDLO-UHFFFAOYSA-N 292.810 4.509 30 10 CJEE C=CCCC[C@H](NC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1 1288363981 DJVMZEHLVZBYFU-BZSNNMDCSA-N 297.442 4.636 30 10 CJEE C=C(CC)CN(CC1CCC1)[C@@H](C)c1ccccc1 1307483081 MVJOOVNYTIZUJW-INIZCTEOSA-N 257.421 4.816 30 10 CJEE C=CCOc1cccc(CN[C@@H](C)[C@H](C)c2ccccc2)c1 1308295565 RZQYXVVWNGJZNL-IRXDYDNUSA-N 295.426 4.533 30 10 CJEE C=CCC1(CNC(=O)Nc2ccccc2CC)CCCC1 1310053659 PEQWIVYREXNZOW-UHFFFAOYSA-N 286.419 4.507 30 10 CJEE C=C(C)C(C)(C)C(=O)Nc1cccc(OCCC(C)C)c1 1351585322 GXSGHAOPOHHJRV-UHFFFAOYSA-N 289.419 4.652 30 10 CJEE C=CCC[C@H](C(=O)N[C@H](C)CCC(C)C)c1ccccc1 1354598154 SWLXIMJEWBQJKG-AEFFLSMTSA-N 287.447 4.677 30 10 CJEE C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2cccs2)cc1 1437481264 LGWSGSFSSNMUSM-SFHVURJKSA-N 299.439 4.634 30 10 CJEE C=CCC[C@@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 1458132801 FQYOYJAHTLDHOI-MRXNPFEDSA-N 299.439 4.802 30 10 CJEE C#C[C@@](C)(CC)NCc1ccc(C2CCCCC2)cc1 1460129807 GIJWXLLYCLIHTA-IBGZPJMESA-N 269.432 4.626 30 10 CJEE C=CCCCN(CC)C(=O)C[C@@H](c1ccccc1)C(C)C 1463239712 JBAKHKZIMFFORU-GOSISDBHSA-N 287.447 4.631 30 10 CJEE C=CCC1(NCc2cc(F)cc(Cl)c2)CCCCC1 1474147164 XTJNNQUOJKIUMI-UHFFFAOYSA-N 281.802 4.848 30 10 CJEE C=CCCC[C@H](C(=O)N(CC1CC1)C(C)C)c1ccccc1 1526441655 SCLZSYLZQJYKDG-IBGZPJMESA-N 299.458 4.774 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)c1ccccc1C 1529305217 IOSSYSGPZVUDEG-QGZVFWFLSA-N 299.458 4.693 30 10 CJEE C=CCC(CC=C)C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1530314011 FPQJDWXELUNBAS-USXIJHARSA-N 276.420 4.657 30 10 CJEE C=CC(C)(C)CC(=O)N1CC(C)(C)Sc2ccccc21 1532812813 KCECICWXYWCLRT-UHFFFAOYSA-N 289.444 4.506 30 10 CJEE C=C[C@H](CC)CC(=O)O[C@@H](C)c1c(C)cccc1C 1535738623 GHIQGOFNLKKKLA-LSDHHAIUSA-N 260.377 4.510 30 10 CJEE C=CCC(C)(C)C(=O)N(CCCC)Cc1ccccc1F 1536712858 WUAWUTVMKCZWEH-UHFFFAOYSA-N 291.410 4.557 30 10 CJEE C=C(CC(C)C)C(=O)N[C@H](c1ccccc1Cl)C(C)C 1543524962 ILGBVVJYORJLGR-INIZCTEOSA-N 293.838 4.756 30 10 CJEE C#CCCCCCC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 1543567498 IWKIJXDAMTYPAY-RBUKOAKNSA-N 298.426 4.998 30 10 CJEE C=C(C)C[C@@H](CO)NC1CCCCCCCCCCC1 1560983246 SQLCNSNUEKDGLK-SFHVURJKSA-N 281.484 4.576 30 10 CJEE C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCC[C@@H]1C 1584864725 ZZQWQRUGRGVQTA-YTQUADARSA-N 299.458 4.506 30 10 CJEE C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 1586818571 ZHHPXSDOHRAUGV-ZDUSSCGKSA-N 290.165 4.673 30 10 CJEE C=CCCC[C@@H](C(=O)NCC[C@H](C)CC)c1ccccc1 1586929216 QBSNLEBIDPCXBB-SJLPKXTDSA-N 287.447 4.679 30 10 CJEE C=CCn1c(S[C@@H](C)CC(C)C)nc2ccccc21 1613175839 CTWHQZFHBFVQPL-ZDUSSCGKSA-N 274.433 4.749 30 10 CJEE C=CCCN(CCCC1CCCC1)OCc1ccccc1 1617332295 RUOGKCQNIORNHI-UHFFFAOYSA-N 287.447 4.967 30 10 CJEE C=CCCCCCCNC(=O)N[C@H](CC)C1CCCCC1 1630705023 FERJDTBCQSTQTB-QGZVFWFLSA-N 294.483 4.781 30 10 CJEE C=C[C@@H](C(=O)NCC1(C)CCC(C)(C)CC1)c1ccccc1 1638130088 XAXWHWDVTFIWPN-QGZVFWFLSA-N 299.458 4.679 30 10 CJEE C=CCCN(Cc1ccccc1)[C@H](C)c1ccccc1 1643208927 FXTHAYVJYRDWMC-QGZVFWFLSA-N 265.400 4.826 30 10 CJEE CCCCCCCCCCN1CCO[C@@H](C(C)(C)C)C1 1645479866 GKOBKTABERUQPF-QGZVFWFLSA-N 283.500 4.874 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2c(C#N)cccc2C#N)CC1 1650975139 CTUCZPMMAGOTIJ-IAGOWNOFSA-N 295.430 4.837 30 10 CJEE C=CC[C@@H](C)NCc1ccc(-c2ccc(C)cc2)s1 1655631659 DPPJLNSCJBFHDD-CQSZACIVSA-N 271.429 4.778 30 10 CJEE C=CCCCSc1nccn1-c1cc(C)cc(C)c1 1656112282 VGOGOYIZNWCPBX-UHFFFAOYSA-N 272.417 4.547 30 10 CJEE C=CCC[C@H](CC)N[C@@H](C)c1ccccc1Cl 1659867650 FOSYZILWITZFHG-STQMWFEESA-N 251.801 4.735 30 10 CJEE C=C(Cl)CN[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1659904186 RIYQYLRGXVPRGZ-JKSUJKDBSA-N 277.839 4.691 30 10 CJEE C#Cc1ccc(N[C@H](CCC)CCc2ccccc2)cc1 1660182916 HPUGPILWIHRTDD-LJQANCHMSA-N 277.411 4.881 30 10 CJEE C=CCCCNCc1ccc(-c2ccccc2Cl)o1 1662371242 SHWYCOBWDZEHFP-UHFFFAOYSA-N 275.779 4.656 30 10 CJEE C=C(C)c1cccc(NC(=O)NCC2(C3CCC3)CCC2)c1 1674979836 PFNKJSFHLJEVSQ-UHFFFAOYSA-N 298.430 4.812 30 10 CJEE C=C(C)c1cccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)c1 1681066869 HDORBFBCCZYEQE-HNNXBMFYSA-N 298.430 4.764 30 10 CJEE N#CCc1c(Cl)cncc1-c1cc(Cl)cc(Cl)c1 1848375726 RLQLKELDZQEXGQ-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE CC#CCCC[C@@H](N)[C@H]1CC[C@H](CCCCC)CC1 1879643736 JPTAIIBQNDBFCW-KZNAEPCWSA-N 263.469 4.894 30 10 CJEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC[C@H](C)CC1 1883432937 GUXIOUHDFMUDQS-UAPYVXQJSA-N 271.448 4.891 30 10 CJEE C=C[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C 1884627853 APQXDJQJRCIGEX-MRXNPFEDSA-N 257.421 4.525 30 10 CJEE CC#CCCCC[C@H](NC)c1ccc(SCC)cc1 1885237053 NHOHRTJHOSUFMZ-KRWDZBQOSA-N 275.461 4.643 30 10 CJEE CC#CCCCC[C@@H](NCC)[C@H]1CCCCC12CC2 1885244372 JRCHXQNTTJBFLS-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CC#CCCCC[C@]1(CNC(C)(C)C)CC[C@H](C)C1 1885265445 QRQMUEDZGCAUKK-WMZOPIPTSA-N 263.469 4.765 30 10 CJEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(Cl)c(F)c1 1887475643 OGMOYJXZCHRQEF-WBMJQRKESA-N 281.802 4.569 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)C[C@@H](C)COCc1ccccc1 1892646134 TVNQOHAYXMPEHL-QRQLOZEOSA-N 289.463 4.549 30 10 CJEE 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C=CCCCCCCC[C@@H](N)[C@@H]1CCSC1(C)C 2220094554 WFMAWRHOJDFHQG-LSDHHAIUSA-N 269.498 4.762 30 10 CJEE C[C@@]1(CC#N)CC[C@@](C)(c2cc(Cl)cc(Cl)c2)O1 2222038992 HWLBLXHJHMQDJE-KBPBESRZSA-N 284.186 4.691 30 10 CJEE CCCCCCCCCOc1cc(Cl)nc(Cl)n1 2223166009 GOJUHIABRQBTGC-UHFFFAOYSA-N 291.222 4.913 30 10 CJEE CCCCCCCCCOC[C@@H](N)C[C@H](C)CC 2223188526 NTQLFXIPOCRLBZ-CVEARBPZSA-N 257.462 4.517 30 10 CJEE CCCCCCCCCO[C@@H](CC)CNC(C)C 2223204299 ICMYWNPAFKWIQY-INIZCTEOSA-N 257.462 4.530 30 10 CJEE CCCCCCCC[C@@](C)(N)CC[C@@H](C)COC 2223828166 JMGCCBKRLPXBPP-HZPDHXFCSA-N 257.462 4.517 30 10 CJEE C=CCCCCCCCCOCCC[C@H](CC)NC 2225677128 SYVXJSPJPUGMJS-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CC(C)[C@@H](C#N)CSc1nc(-c2ccccc2)cs1 2225896759 KWMFSUHFTYKEDC-ZDUSSCGKSA-N 288.441 4.698 30 10 CJEE CCCCCCCC[C@@H](N)C1C[C@H]2CSC[C@H](C1)C2 2228490284 WMCYQFRTCZIKCK-YQQAZPJKSA-N 283.525 4.844 30 10 CJEE O=C(CC#Cc1cccc(Cl)c1)c1ccc(Cl)cc1 2230986268 LIWBGSGLOVZJMW-UHFFFAOYSA-N 289.161 4.618 30 10 CJEE CCCCCCCC[C@H](C)N[C@H]1CC(C)(C)[C@H]1OC 2231939567 IBGZMXPBBQWQOY-JYJNAYRXSA-N 269.473 4.529 30 10 CJEE CCCCCCCC[C@@H](C)N[C@H]1CCOCC1(C)C 2231945822 KDNHGXDFRCDZKL-CVEARBPZSA-N 269.473 4.530 30 10 CJEE C=CCCCCC[C@@H](CCc1cccc(F)c1)NCC 2232800584 CFERECXROXSFMA-SFHVURJKSA-N 277.427 4.873 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)[C@@H]1CCCCC(F)(F)C1 2233780967 DKSSPHKKPGYTHK-CABCVRRESA-N 285.422 4.620 30 10 CJEE CCCC#C[C@@H](NC)c1ccc(-c2ccccc2F)s1 2233782042 LLJDJRBYVGRYFI-OAHLLOKOSA-N 287.403 4.618 30 10 CJEE C#C[C@H](CC(C)C)NC1CCC2(CCCCCC2)CC1 2234691541 LFSFFRPKRVMFGH-QGZVFWFLSA-N 275.480 4.907 30 10 CJEE C[C@@H](C[C@@](C)(C#N)NC1CC1)SCCCCCC1CC1 2235463551 JEDVMFFGZJABBP-YOEHRIQHSA-N 294.508 4.503 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1OCC[C@@H]1C)NCC 2235518636 INKDDPFRRRTVOZ-KSZLIROESA-N 281.484 4.696 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@H](O)C1CCCCCC1 2235526296 JLUNDDCJBSRABA-ROUUACIJSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCC[C@@]1(O)c2ccccc2C[C@@H]1C 2235532561 LSDKQSUIMMZHEF-LPHOPBHVSA-N 272.432 4.983 30 10 CJEE C=CCCCCCCC[C@H](O)c1cnn(C(C)(C)C)c1 2235542622 URNBAWPTHKNIOA-INIZCTEOSA-N 278.440 4.588 30 10 CJEE CCCCCCCCOC[C@@H]1CC[C@H]1CNC(C)(C)C 2237262603 XWYXOBSGWKQBCJ-IRXDYDNUSA-N 283.500 4.778 30 10 CJEE Cc1cc(Cl)cc([C@](C)(O)[C@@]2(C#N)CCCC[C@H]2C)c1 2237905139 OLPQJZLGOQNYLL-XOKHGSTOSA-N 291.822 4.576 30 10 CJEE C#CCN(C[C@@H]1CC[C@H]2CCCC[C@H]2C1)CC(C)(C)C 2239255009 ICFWREDJYNEYQL-KURKYZTESA-N 275.480 4.574 30 10 CJEE CCCCCCCCCO[C@@H]1CCC[C@H](NCC)[C@@H]1C 2239448993 LQSJEHLGVAQWKY-OKZBNKHCSA-N 283.500 4.920 30 10 CJEE CCCCCCCCCOC[C@@H]1CC[C@@H](CNCC)C1 2239466662 BYHITMBFYSGXBB-QZTJIDSGSA-N 283.500 4.779 30 10 CJEE C=C[C@H](CC)O[C@@H]1CCCCCCCCCC[C@H]1NC 2239502312 SUGCBHBNBDCXMU-KZNAEPCWSA-N 281.484 4.839 30 10 CJEE CCCCCCCCCCCOC[C@@H](NC)C1CCC1 2239553655 BWEVONNESNGACL-GOSISDBHSA-N 283.500 4.922 30 10 CJEE CCCCCCCC[C@@]1(C)C(=O)CCN1C1CCCC1 2240573013 IYCVCCCIBNZXIP-SFHVURJKSA-N 279.468 4.713 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H]1C[C@@H](OCC)C1(C)C 2240616734 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CCCCCCCC[C@H](C[C@@]12CCC[C@@H]1CC2)NN 2273502520 VAXNZDWTQVFPGT-ZACQAIPSSA-N 266.473 4.539 30 10 CJEE N#Cc1ccc(SC2CC3(C2)CC2(CCC2)C3)cc1 2274003468 YMWYZVJXVMTMPG-UHFFFAOYSA-N 269.413 4.763 30 10 CJEE O=C(C#CC1CCCCC1)c1cscc1C(F)(F)F 2274037255 BNFWURXPDXZDRU-UHFFFAOYSA-N 286.318 4.533 30 10 CJEE CC(C)[C@@H]1CCCCC[C@@]1(O)C#CC1CCCCC1 2274075646 ZBVOVIOLBNAJKQ-ZWKOTPCHSA-N 262.437 4.538 30 10 CJEE CCCCCCC[C@H](CC(CC)CC)OCC(=O)O 2274938975 GCKXIAZGUPHPST-OAHLLOKOSA-N 272.429 4.643 30 10 CJEE C=C(C)CCCC[C@@H](CCCCC)OCCC(=O)O 2275499761 AGPXWGCJZJRGSF-OAHLLOKOSA-N 270.413 4.563 30 10 CJEE CCCCCCCCC[C@@](C)(N)CC[C@@H](C)COC 2278167950 ZATANNKAAWDNRT-IAGOWNOFSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@H](NC)c1cccc(OCF)c1 2278484292 RIQODTNVTKSMMN-INIZCTEOSA-N 267.388 4.613 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(O)[C@@H]1CC12CCC2 2283771639 KNPSSITXUXLFBX-RDJZCZTQSA-N 280.452 4.637 30 10 CJEE C=CCCCSc1nc(CCC)nc(NCCC)c1C 2287083696 LKTKHOYLWOYMHO-UHFFFAOYSA-N 293.480 4.618 30 10 CJEE CC(C)CCC[C@H](C)CCN(C)c1ccc(C#N)cc1 2287882780 CLKYRAMCZWHQGQ-INIZCTEOSA-N 272.436 4.847 30 10 CJEE N[C@@H](C#CC1CCCCC1)[C@@H]1C[C@H]1C1CCCCCC1 2289712683 ODEVTWLGDKLJLV-OTWHNJEPSA-N 273.464 4.504 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)C2CC(C(C)(C)C)C2)C1 2289939223 MRBINBUSWZFQBZ-ZUBZBLCWSA-N 277.452 4.530 30 10 CJEE C=CCC[C@](C)(OCCCN)c1cc(C)c(Cl)c(C)c1 2292600888 MGFRYZYIVREGPP-KRWDZBQOSA-N 295.854 4.504 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1ccc(C)o1 2292781180 FJSXHVXBTZHLQC-MRXNPFEDSA-N 279.424 4.521 30 10 CJEE C=CCCCCCC[C@@]1(OCCCN)CCC[C@@H]1CC 2292786094 YKDGLNMTNNHLFY-ZWKOTPCHSA-N 281.484 4.827 30 10 CJEE C=C(C)CCC1(OCCCN)CCC2(CCCC2)CC1 2292902183 GWVUMXJRETYOGG-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE CCCCCCCCC[C@H](OCCCN)c1ccoc1 2293196557 XFDFABUEHGMAAX-KRWDZBQOSA-N 281.440 4.827 30 10 CJEE C=CCCC[C@]1(OCCCN)CC(C)(C)CCC1(C)C 2293883812 DUFZITMKTFIFTC-SFHVURJKSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](C[C@@H]1C=CCC1)OCCCN 2294141585 JZYGZLKRJYWRNV-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE CCCCCCC[C@@](C)(OCCCN)C1CC(F)(F)C1 2294358754 XSLQXGFSNOUEJI-OAHLLOKOSA-N 291.426 4.516 30 10 CJEE CCCCCCCCC[C@]1(OCCN)CCCC12CC2 2294461792 QYYUOUWENKSZFY-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCCC[C@](C)(N)c1cn(C(F)F)cn1 2295581334 PKTVHTAIAXSJDM-HNNXBMFYSA-N 287.398 4.593 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cc(CC)ccn1 2295589818 LZZWCNXSOZRQMA-GOSISDBHSA-N 276.468 4.959 30 10 CJEE CCCCCCCCC[C@H](C)NCCCN(CC)CC 2295675521 CCPYLVMFJHKYFB-SFHVURJKSA-N 284.532 4.837 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 2295691111 IQGLSLHPOLOOKQ-RCCFBDPRSA-N 282.516 4.588 30 10 CJEE C[C@@]1(CC#N)CC[C@](c2ccccc2)(C2CCCC2)O1 2295832539 FWVALRNXYJDUJI-ROUUACIJSA-N 269.388 4.555 30 10 CJEE CCCCCCCCCCCCN[C@H](CN)[C@H](C)CC 2296245539 KENUHGSLEOINSC-QZTJIDSGSA-N 284.532 4.870 30 10 CJEE Cc1cc2sccc2c(Oc2ccc(C#N)c(C)c2)n1 2296525722 KJMAGZFHDSAZKT-UHFFFAOYSA-N 280.352 4.577 30 10 CJEE CC[C@H]1CC[C@@](C#N)(C[C@@H]2CCC[C@H]2C(F)F)C1 2313059886 RHGQQWZGHJZTTC-XPCVCDNBSA-N 255.352 4.778 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCC(F)(F)CC1 2313162330 PDALDUADRISRFW-XQQFMLRXSA-N 253.336 4.532 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)C(CC)(CC)CC 2316744693 QDMUKDCPIRPFKB-MRXNPFEDSA-N 251.458 4.949 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCC[C@@H]1CC1(C)C)NC 2321117072 MQMJGPDFXGNMJC-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@@H](CC[C@@H](C)C(F)F)NCCC 2321132520 ZIULOOGQXXBENH-CHWSQXEVSA-N 261.400 4.638 30 10 CJEE C=CCCCCCCCCC1(O)CC2(CSC2)C1 2328260655 VZQLSEWRTVCIMI-UHFFFAOYSA-N 268.466 4.551 30 10 CJEE CC(C)(C)[C@H]1CC=C(C(=O)[C@H]2CC[C@@H]3C[C@@H]3C2)CC1 2331317800 RPNJQKLKNABMOJ-QXSJWSMHSA-N 260.421 4.764 30 10 CJEE CC#CCCC[C@@H](NCC)[C@@]1(C)CC[C@@H](C)C1(C)C 2332303312 FHEWZZONHGZMOO-JFIYKMOQSA-N 263.469 4.621 30 10 CJEE CCCCCCC[C@H](O)c1cc(CC)ccc1OC 2336786155 RERCCHOSTURYJA-INIZCTEOSA-N 264.409 4.652 30 10 CJEE CCCN[C@H](C#Cc1cccs1)c1cc(C)c(C)s1 2338243716 KIVCPOLQRUCGSV-OAHLLOKOSA-N 289.469 4.519 30 10 CJEE C=CCC(CC=C)[C@@]1(CNCC)CCCC(C)(C)C1 2338729108 CDRVWLKYNDRDOU-SFHVURJKSA-N 263.469 4.951 30 10 CJEE C=CCC(CC=C)[C@@H](NCC)[C@@H]1CCCCC1(F)F 2338741671 PEEBKWCIEPXREQ-LSDHHAIUSA-N 271.395 4.558 30 10 CJEE C=CCC(CC=C)[C@H](NCC)[C@@]12CCCC[C@@H]1CC2 2338750916 XKUHMMBGTKOAIV-FGTMMUONSA-N 261.453 4.703 30 10 CJEE Cc1c(C(=O)[C@H](C#N)[C@H]2CC2(C)C)ccc(Cl)c1Cl 2339051557 BJVYHHQSTDUCSX-GHMZBOCLSA-N 296.197 4.670 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)[C@@H](C)[C@@H](C)C(C)C 2340138313 PZXJTQXSBBRKBT-ZOBUZTSGSA-N 270.457 4.595 30 10 CJEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)ccc(F)c1F 2344347809 FLGMUOHIVZBMFX-HUUCEWRRSA-N 287.781 4.871 30 10 CJEE C=CC[C@](C)(CC)[C@H](NC)c1c(F)ccc(C)c1F 2344349836 WPARZXICNOGAAA-CVEARBPZSA-N 267.363 4.526 30 10 CJEE Cc1cc(C)c(OC[C@](C)(CS)C(C)(C)C)c(C)c1 2352088194 HUCNXJQWVCWIMX-QGZVFWFLSA-N 280.477 4.973 30 10 CJEE CSc1cc(Nc2cc(F)ccc2Cl)ccc1C#N 2353831858 NASKXBODJJIZID-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE C#CCCCCC[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)NCCC 2355645888 LJUMAZSKKQWOMN-NCXUSEDFSA-N 275.480 4.765 30 10 CJEE C=CCC(CC=C)N[C@H](C)C12CC3CC(CC(C3)C1)C2 2360209916 JYLCKELDSBBPRK-DGTBMVLOSA-N 273.464 4.702 30 10 CJEE CCSc1nc2c(c(-c3ccccc3)c1C#N)CCCC2 383998 WADABFNOBAUXRQ-UHFFFAOYSA-N 294.423 4.611 30 10 CJEE CCCCCCCC(=O)Nc1ccc(Br)cc1 3160025 KBXUYPJOGOGXDD-UHFFFAOYSA-N 298.224 4.748 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1 21017313 QZVCCOOHXNFOJP-OLMNPRSZSA-N 271.404 4.536 30 10 CJEE C[C@H]1CCCC[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 36805604 XTWCROADVZUNCX-HZMBPMFUSA-N 283.293 4.535 30 10 CJEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1 37154057 RJTCVDIZKPCGRV-FZMZJTMJSA-N 265.809 4.905 30 10 CJEE C=C(C)Cn1c(C2CCCCC2)nc2ccccc21 39907741 ABQCSPSXEYZIBY-UHFFFAOYSA-N 254.377 4.660 30 10 CJEE CC[C@@H](CC#N)Nc1cccc(Oc2ccccc2)c1 42188899 GMWZDEOXCDZQFM-AWEZNQCLSA-N 266.344 4.583 30 10 CJEE Cc1cccc([C@H](C#N)C(=O)c2ccc(C(C)C)cc2)c1 55332219 OECSJALFPWDDTE-SFHVURJKSA-N 277.367 4.609 30 10 CJEE CCCCCCCCNCc1ccccc1OC(F)F 59055205 SQJADQIYMZJSCR-UHFFFAOYSA-N 285.378 4.738 30 10 CJEE CCCCCCC[C@H](C)N[C@@H](C)c1ccc(C)o1 59427078 ORMWLRBWCQKIEW-ZFWWWQNUSA-N 251.414 4.988 30 10 CJEE CCCCCCC[C@@H](C)Nc1cc(C(=O)O)c(F)cc1F 59469362 JODQATIXWNQZSK-LLVKDONJSA-N 299.361 4.824 30 10 CJEE C[C@H]1CCC[C@H](Sc2cc(C#N)c3ccccc3n2)C1 68796834 ZYZIBLDCTLGCJL-JSGCOSHPSA-N 282.412 4.777 30 10 CJEE CC(C)Oc1ccccc1-c1cc(C#N)c(C(F)(F)F)o1 77086172 SLNIPQVGIQQEMX-UHFFFAOYSA-N 295.260 4.624 30 10 CJEE CC[C@H]1CC[C@@H](C#N)[C@H](N2CCC[C@H](C(C)(C)C)CC2)C1 79378741 DNUIUOBTOCKZER-XLAORIBOSA-N 290.495 4.853 30 10 CJEE Cc1cccc(CSCC[C@H](C)CCS)c1 87098047 BODACVPKBQYDNQ-GFCCVEGCSA-N 254.464 4.574 30 10 CJEE CC1CCC(CNc2ccc(C(C)(C)C#N)cc2)CC1 89575781 YEFJDSDHBBTTJB-UHFFFAOYSA-N 270.420 4.726 30 10 CJEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 91880738 ZJZNXTLIRCYJDM-VCTAVGKDSA-N 298.213 4.747 30 10 CJEE Cc1cccc(C)c1OCC1(CS)CCCCCC1 94582438 RTLUZDOCCDRQLD-UHFFFAOYSA-N 278.461 4.953 30 10 CJEE Cc1ccc([C@H](C)Nc2ccc(C#N)c(Cl)c2)cc1F 94836886 SGFWWWMSKJXGRR-NSHDSACASA-N 288.753 4.832 30 10 CJEE CC#CCC[C@H](NCCC)c1cc2cc(F)ccc2s1 97417177 ZMSGZSXMOICSTI-HNNXBMFYSA-N 289.419 4.885 30 10 CJEE CC[C@H](Nc1ccc(F)cc1C#N)c1ccc(C)cc1 97634888 FNNTULPFPVLYHP-INIZCTEOSA-N 268.335 4.569 30 10 CJEE CCCCCCCN1C[C@H](CC)Nc2cc(F)ccc21 106599127 KSFSJKHREMLGPZ-HNNXBMFYSA-N 278.415 4.807 30 10 CJEE CCCCCCCOCc1occc1CNC(C)(C)C 107344974 ORYONMQZMASDQW-UHFFFAOYSA-N 281.440 4.655 30 10 CJEE Cc1cc(OCc2ccccc2)ccc1[C@H](C)CCC#N 107616711 PYUVVDYOOUGTDR-OAHLLOKOSA-N 279.383 4.981 30 10 CJEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ccc(C#N)c(Cl)c1)C2 109772276 MVRXGVSWLPPBAO-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCCCO[C@@H]1CCCCCC[C@@H]1NC 110084074 NOKVLUCTWPUAMT-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCOc1nc(C)cc(C)c1CNC(C)C 110156995 LNKZEEGHXXGZNH-UHFFFAOYSA-N 292.467 4.546 30 10 CJEE CCCCCCCCN1C[C@H](CC)NCC12CCCCC2 114062487 XBRSYADQXISFQM-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCC[C@H](NC)C(C)(C)OC 118395486 DLPSZMIDYPQMQL-HNNXBMFYSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCc1onc(N)c1CCC 118640448 YORUASPNYZIFHC-UHFFFAOYSA-N 252.402 4.502 30 10 CJEE CCCCCCCCC[C@@H](CCc1ccccc1C)NN 122197500 FTUDFHCGNNVQDM-IBGZPJMESA-N 290.495 4.900 30 10 CJEE CCCCCCCC[C@H](NN)[C@H]1CCCc2sccc21 122392849 WCEBJYRUTFNOOF-HOCLYGCPSA-N 294.508 4.751 30 10 CJEE C#CCCC[C@@H](NCCC)c1cc2ccc(F)cc2s1 122877644 KIPRZKAQVZGYPX-OAHLLOKOSA-N 289.419 4.885 30 10 CJEE Cc1oc2ccccc2c1CNc1ccc(C#N)c(Cl)c1 123230336 IAEIOGFOXAIWHV-UHFFFAOYSA-N 296.757 4.878 30 10 CJEE C=CCSc1ccccc1N[C@H](C)Cc1ccc(O)cc1 126685225 IXWQDMUSUDEMLP-CQSZACIVSA-N 299.439 4.713 30 10 CJEE CCCCCCCCC[C@H](O)c1ccncc1Cl 135351802 IZCZRSHIUHHSHW-HNNXBMFYSA-N 269.816 4.909 30 10 CJEE CCCCCCCC[C@@H](CCOCC)NCCC 140286816 AERRJEACUZXWPW-INIZCTEOSA-N 257.462 4.532 30 10 CJEE C[C@@H]1CC[C@@](C#N)(Nc2ccccc2F)c2ccccc21 163866539 AUQSNRNJLBGWHP-ACJLOTCBSA-N 280.346 4.554 30 10 CJEE CCCCCCCC[C@H](NCC)c1ccc(C)nc1 164829497 LKAFRPYXZARYAY-KRWDZBQOSA-N 262.441 4.791 30 10 CJEE CCCCCCCCCC(=O)[C@@](C)(N)c1ccccc1 168609364 ZILVUHLJRFTQBD-SFHVURJKSA-N 275.436 4.570 30 10 CJEE CCCCCCC[C@H](N)c1cc(Cl)ccc1F 169208175 BCXFXLPOKMRJSE-AWEZNQCLSA-N 257.780 4.839 30 10 CJEE CC(C)[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1C#N 215060812 IZRLGIJTAMOTMF-HOCLYGCPSA-N 276.811 4.838 30 10 CJEE CCCCCCCCN(CC)[C@]1(CN)CCC[C@@H](C)C1 218847755 APDQAPDOVIRNKI-QZTJIDSGSA-N 282.516 4.576 30 10 CJEE CCCC[C@H](CCC)N[C@H](C)c1cccc(C#N)c1 225978056 LBHDFXJJASVJST-PBHICJAKSA-N 258.409 4.568 30 10 CJEE C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 226200321 LUZBTIMSOLIJAW-JRPNMDOOSA-N 296.336 4.814 30 10 CJEE Cc1ccc(Cl)c(Nc2cccc(C#N)c2)c1Cl 227604267 RNXJXNIOSRVPAO-UHFFFAOYSA-N 277.154 4.917 30 10 CJEE CC[C@@H](C)c1ccccc1Oc1cccc(C#N)c1 227634162 LFIBGIGUASWGPK-CYBMUJFWSA-N 251.329 4.864 30 10 CJEE CCCCCCCCC[C@@H](NC)c1cncc(OCC)c1 229109270 NDNHLEYHXISWRY-GOSISDBHSA-N 292.467 4.882 30 10 CJEE C=CCCCCC[C@@H]1CC(C)(C)CC[C@@H]1C(=O)O 232777911 SNMOPAOTKAIGOK-KGLIPLIRSA-N 252.398 4.650 30 10 CJEE CCCCCCCC[C@H](N)[C@@H]1CSc2ccccc2O1 232951922 IQJSWCIZNWOBQB-HOCLYGCPSA-N 293.476 4.618 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(Cl)cc1C 233599296 MTEMKLRBJBCXCI-OAHLLOKOSA-N 251.801 4.655 30 10 CJEE C=CCCCCC[C@@H](CCc1ccccc1C)NC 234423292 CNFAYHOXGFYYKT-SFHVURJKSA-N 259.437 4.652 30 10 CJEE O=C(C1=CCCCCCC1)c1cccc(Cl)c1F 236145959 CZOCOXHNDAXYGV-UHFFFAOYSA-N 266.743 4.942 30 10 CJEE C[C@@H]1CCCC[C@@H]1N[C@H](C#N)c1ccc(Cl)c(Cl)c1 252191872 RSOCWQUPDSWSLX-WKPIXPDZSA-N 297.229 4.726 30 10 CJEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)C[C@H]2CC[C@H]1C2 252806111 BXIAWUQIUFXRBW-WBIUFABUSA-N 280.198 4.866 30 10 CJEE Cc1ccoc1C(=O)/C=C\c1ncc(-c2ccccc2)s1 254965410 NZOIVFDNGFABSG-FPLPWBNLSA-N 295.363 4.608 30 10 CJEE C=CCCCC(=O)Nc1cc(Cl)ccc1C(F)(F)F 289620942 JWSALRZHVRIESH-UHFFFAOYSA-N 291.700 4.654 30 10 CJEE CCCC1CCC(C#N)([C@](O)(CCC)C2CCC2)CC1 322895633 FEQFAXKXFNSPOD-VJFUWPCTSA-N 277.452 4.818 30 10 CJEE C=CCC(C)(C)COc1ccc(C(F)(F)F)c(C#N)c1 381105251 FDYBVMAGOYOJQE-UHFFFAOYSA-N 283.293 4.558 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CCCOCc2ccccc2)C1 382011641 USFCRHHZMXSLAO-WMZOPIPTSA-N 271.404 4.703 30 10 CJEE CCCN(Cc1ccccc1)C[C@@H](CS)c1ccccc1 384417502 RKWNYZJLXDHLNS-IBGZPJMESA-N 299.483 4.612 30 10 CJEE CO[C@](C)(C[C@]1(C#N)CCCC[C@H]1C)c1ccccc1 384843128 JLYGOLSWIUWQEG-NXHRZFHOSA-N 271.404 4.658 30 10 CJEE CC(C)(C)C[C@@](C)(C#N)Nc1ccc(Br)cc1 384879718 ICGXXJSDNNKAJO-AWEZNQCLSA-N 295.224 4.579 30 10 CJEE N#CCCCCCNc1ccc(-c2ccccc2)cc1 385238139 PJEMVUDFZQFHRO-UHFFFAOYSA-N 264.372 4.849 30 10 CJEE CCN[C@@H](C)c1cccc(SCCCCCC#N)c1 385336557 WGOXCXWIKNXJJL-AWEZNQCLSA-N 276.449 4.533 30 10 CJEE C[C@@H](N(C)CCCCCCCCCS)C1(C)CC1 386134208 VZQCPYOKYGHUHP-OAHLLOKOSA-N 271.514 4.767 30 10 CJEE CCSc1cccc(F)c1-c1nc(CCC#N)cs1 388613197 HIZUINZXMVULMV-UHFFFAOYSA-N 292.404 4.517 30 10 CJEE CCCCCCC[C@H](N)c1cc(Br)oc1C 396525626 GKHQGSCUKBCGSI-LBPRGKRZSA-N 288.229 4.711 30 10 CJEE C=C(C)C[C@H](C)c1nc(-c2cc(C)c3ccccc3n2)no1 570317899 PJULJRFPASDUKM-ZDUSSCGKSA-N 293.370 4.663 30 10 CJEE C[C@H]1CC[C@@](C=O)(CC2(c3ccccc3)CCCC2)C1 686745107 PUIVSGCWFAWGNO-WMZOPIPTSA-N 270.416 4.894 30 10 CJEE CCCCCCCCCCCCNC[C@]12COC[C@@H]1C2 689213773 MXMWIGQBTFOEEF-ZWKOTPCHSA-N 281.484 4.533 30 10 CJEE CCCCCCCCC[C@H](NC)[C@]12CCC[C@H]1C2 693264968 DACRQVWQZXOYHL-ULQDDVLXSA-N 251.458 4.905 30 10 CJEE N#Cc1cc(Cl)ccc1N[C@@H](c1ccccc1)C1CC1 695729424 JNKVUFWXGYNSAU-KRWDZBQOSA-N 282.774 4.775 30 10 CJEE CC(C)c1nc([C@@H](C#N)Nc2ccc(Cl)cc2)cs1 696445106 QRHBUQIHPRNAAZ-GFCCVEGCSA-N 291.807 4.597 30 10 CJEE CC(C)(C)c1ccnc(C2(C#N)CCCCCCC2)c1 699600741 SSZJDAQKKAMRMN-UHFFFAOYSA-N 270.420 4.885 30 10 CJEE C=CCCCCC[C@@H](NCC)[C@@H](C)Oc1ccccc1 700667716 YCZOBAZNFXUMAF-SJLPKXTDSA-N 275.436 4.569 30 10 CJEE C=CC(C)(C)CCN[C@H](CC)c1cccc(Cl)c1 701864488 NGFIUEGSPMCDJC-OAHLLOKOSA-N 265.828 4.983 30 10 CJEE C=CC(C)(C)CCN[C@@H](C)c1ccc(CCC)cc1 701872878 UTCKHXXQGABOBR-HNNXBMFYSA-N 259.437 4.892 30 10 CJEE C#C[C@H](NCc1cc(-c2cccs2)cs1)C(C)(C)C 702296412 VBYDNDOLHXLIDZ-HNNXBMFYSA-N 289.469 4.614 30 10 CJEE CCCCCCCNc1ccc([N+](=O)[O-])cc1C(F)F 703724831 YWDCPLQSYHTTGF-UHFFFAOYSA-N 286.322 4.915 30 10 CJEE CC[C@H]1CC[C@@](C#N)(CC2(c3ccccc3)CC2)C1 704043269 PHCHMDDWIRNUFM-RDJZCZTQSA-N 253.389 4.828 30 10 CJEE CCCCCCCCCCNCCCc1ccccn1 710546811 FSZWEOOAGDXCON-UHFFFAOYSA-N 276.468 4.745 30 10 CJEE C=CC[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1CNCC(C)C 715798193 WABAZFPQVWVKKM-MLHJIOFPSA-N 265.485 4.887 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1C[C@H](C)O[C@H](C)C1 724237124 UXGSAPXQGJQAEX-XMTFNYHQSA-N 283.500 4.919 30 10 CJEE C=C1CCC(C[C@@H](NN)c2cc(Cl)ccc2Cl)CC1 724582671 NWPWLSFGEWAMPL-OAHLLOKOSA-N 299.245 4.634 30 10 CJEE C=CCC(CC=C)C(=O)Nc1ccc(CCCC)cc1 1124493814 DRWNAQYAZGSNAA-UHFFFAOYSA-N 271.404 4.736 30 10 CJEE C=CCC1(C(=O)Nc2cc(SC)ccc2C)CCCC1 1127442088 CSYUBHLLONIUDC-UHFFFAOYSA-N 289.444 4.792 30 10 CJEE C=CCCCCCCNC(=O)C1(c2ccc(C)cc2)CCC1 1128747844 CWEIIVQTURYRGF-UHFFFAOYSA-N 299.458 4.669 30 10 CJEE C=CCC1(NC(=O)c2cccc3ccccc23)CCCCC1 1128925049 WRXDDBZRGANDSA-UHFFFAOYSA-N 293.410 4.849 30 10 CJEE C#CCCCCCC(=O)N1CCCC[C@H]1CCCCC 1131309823 YCVPOCKFLBDVBX-QGZVFWFLSA-N 277.452 4.532 30 10 CJEE 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FYCDPWGAVUBFQY-CHWSQXEVSA-N 278.314 4.556 30 10 CJEE C=CCCCCCCCCOCC1(N)CCCCC1 2142438957 IBTOHGRDQPUMGJ-UHFFFAOYSA-N 267.457 4.581 30 10 CJEE C=CCCCCCCCCNC[C@H]1C(F)(F)C12CC2 2142444390 SZZAQOAZCHMUNR-CQSZACIVSA-N 271.395 4.538 30 10 CJEE C=CCCCCCCCC[C@@H](C[C@H]1CC1(C)C)NN 2142447913 XJUPZIQMPKEDRD-HOTGVXAUSA-N 266.473 4.561 30 10 CJEE C=CCCCCCCCC[C@@]1(N)CO[C@@](C)(CC)C1 2142450983 RHZLAVWMFVCAJH-IRXDYDNUSA-N 267.457 4.580 30 10 CJEE CSc1cccc(NC[C@@H]2C[C@@H]3CCCC[C@@H]32)c1C#N 2145455083 YFHJZJMXYGIPLK-IHRRRGAJSA-N 286.444 4.518 30 10 CJEE CCCCCCCCCCN[C@@H](C)c1cc(OC)ns1 2145526532 QGKSCYJGMHLQSR-AWEZNQCLSA-N 298.496 4.943 30 10 CJEE C#CCCN(Cc1ccc(F)cc1Cl)C1CCCCC1 2145625762 QFAMRYGCAUFLJZ-UHFFFAOYSA-N 293.813 4.637 30 10 CJEE CCCCCCC[C@@H](O)C(=O)C[C@H](C)C1CCCCC1 2147023984 IAUNPTCWJVMWFP-DOTOQJQBSA-N 282.468 4.883 30 10 CJEE CCCCCCCCC(=O)[C@](O)(CC)CCC(F)(F)F 2147216848 COEZYQPVKHWMRJ-AWEZNQCLSA-N 296.373 4.790 30 10 CJEE C=CCCCCC[C@H](NCCC)C1(O)CCCCCC1 2147732932 YURKUEBLDVLQMU-KRWDZBQOSA-N 281.484 4.576 30 10 CJEE CCCCCCCC[C@]1(CNC(C)(C)C)CC=CCO1 2151720293 NDTKWUPEGUVGDS-GOSISDBHSA-N 281.484 4.840 30 10 CJEE C=C([C@@H](NCCC)c1cc(Cl)ccc1OC)C(C)(C)C 2152941949 IWASPFGWMHYJHU-MRXNPFEDSA-N 295.854 4.992 30 10 CJEE CC(C)C[C@H](C)[C@H](C)N=C1N[C@H](C2CCCCC2)CS1 2153922201 LBTQIEMQBWCFKM-DZKIICNBSA-N 296.524 4.698 30 10 CJEE C[C@]12CCCC[C@H]1C[C@H](NCC#CC1CCCCC1)C2 2154171588 LNFCGARKJSLLBH-GBESFXJTSA-N 273.464 4.519 30 10 CJEE CCCCCCC[C@H](CCCCCOC(C)(C)C)NN 2155526936 ACLWZZFTCBHHPP-MRXNPFEDSA-N 286.504 4.554 30 10 CJEE C=CC[C@H](C)[C@H](NCCC)C1CC2(C1)CC1(CCC1)C2 2157195585 CEHDALFTMLEYMX-RDJZCZTQSA-N 275.480 4.927 30 10 CJEE C=CCC[C@H](C)[C@@H](N)C1(c2ccccc2)CCCCC1 2158326545 DCXYAPHGDXSTDO-FUHWJXTLSA-N 271.448 4.818 30 10 CJEE N#Cc1c(F)cccc1Nc1ccccc1SC1CC1 2158414406 QHVKFIHZRWGAFO-UHFFFAOYSA-N 284.359 4.695 30 10 CJEE C[C@H](Nc1ccc(C#N)cc1F)C1CCC(C)(C)CC1 2158433681 HBIQSXRAABVTNR-LBPRGKRZSA-N 274.383 4.714 30 10 CJEE CCCSc1ccccc1Nc1cccc(F)c1C#N 2158459750 LVCLNZPPASPVJM-UHFFFAOYSA-N 286.375 4.943 30 10 CJEE CCCCCCCCC[C@@H](C[C@H]1COC(C)(C)C1)NC 2159362419 ILZSWGRCVXVTBK-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCCCCCCC[C@]1(CNC2CC2)CO[C@H](C)C1 2159380302 ZDSMTUGFQSDXJN-AEFFLSMTSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCCCCC(=O)[C@H](N)CC(F)F 2159611379 WHUHNAXFNMBWJC-CQSZACIVSA-N 291.426 4.849 30 10 CJEE C=CCOc1ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc1 2163966259 VCULGZZZHXIXQA-CQSZACIVSA-N 274.404 4.897 30 10 CJEE CCCN[C@@H](C#C[Si](C)(C)C)c1cc(C)c(C)cc1C 2164210617 XAGNFHLCPHPVHY-SFHVURJKSA-N 287.523 4.533 30 10 CJEE C=C(Cl)C[C@H](NCC)c1ccc(OC)c2ccccc12 2164252248 NHHPXQHRGAGCKQ-INIZCTEOSA-N 289.806 4.642 30 10 CJEE CCCC[C@@](C#N)(CC)[C@](C)(O)C1CCC(F)(F)CC1 2164476950 FPHBXBMRYFGEPT-HUUCEWRRSA-N 287.394 4.673 30 10 CJEE Cc1ccc(N(C)C[C@@H]2CCCC(C)(C)C2)c(C#N)c1 2168552048 JBCMROBULIWNRH-OAHLLOKOSA-N 270.420 4.519 30 10 CJEE CCCCCCCCCC[C@H](N)[C@@](C)(O)C1(C)CCC1 2172425456 CMBVGMYAYPRCNO-FUHWJXTLSA-N 283.500 4.786 30 10 CJEE C=C[C@H](C)C[C@H](NCCC)c1ccccc1C1(C)CC1 2173290033 IPQMGZKUCQNPQP-YJBOKZPZSA-N 271.448 4.991 30 10 CJEE CC1([C@@H](O)[C@]2(C#N)CCCCC23CC3)CCCCCC1 2173615027 IZLRNZZZAJTWFC-CRAIPNDOSA-N 275.436 4.572 30 10 CJEE N#C[C@]1(Cc2ccc3c(c2)CCC3)CCCCC12CC2 2173623049 RALVLWPNNHPONI-LJQANCHMSA-N 265.400 4.582 30 10 CJEE C#CCCCCC[C@H](NCC)[C@@H]1CCCCC12CCC2 2173672249 FKTFWKBOQJBPNC-ROUUACIJSA-N 275.480 4.909 30 10 CJEE Cc1ccc(NC[C@H]2CCCCC23CCC3)c(C#N)c1 2173706617 NPLGAXXYICVFBS-MRXNPFEDSA-N 268.404 4.639 30 10 CJEE CCCN[C@]1(C#N)C[C@H](CC)C[C@@H](SCCC(C)C)C1 2175414379 TWWNJCYFYWMUII-BRWVUGGUSA-N 296.524 4.606 30 10 CJEE O=C(C=C1CCCCC1)C1(c2ccccc2)CCCC1 2177048240 SDCQHGAIURAZRI-UHFFFAOYSA-N 268.400 4.958 30 10 CJEE CCCCCCCCC[C@H](O)c1ccc2nsnc2c1 2177171210 BSEGGUQOJJLVLS-INIZCTEOSA-N 292.448 4.865 30 10 CJEE C=CCSc1ccccc1N[C@H](C)c1cccc(C)n1 2178427641 GCIBWSZBXWRYAI-CQSZACIVSA-N 284.428 4.841 30 10 CJEE C=CCOc1ccc([C@@H](CCC/C=C/C)NCC)cc1 2179779307 KRFUEVBUDKTTNX-WEBJUUICSA-N 273.420 4.648 30 10 CJEE CC1(C)C[C@H](C(=O)C2=CC[C@H](C(C)(C)C)CC2)CCO1 2181671377 UZXMCLBAQCLJRK-CABCVRRESA-N 278.436 4.533 30 10 CJEE C=C1CC([C@H](C[C@H]2CCC[C@@H]2C(F)(F)F)NCCC)C1 2182113866 RBQZEBCAMAOIMR-SNPRPXQTSA-N 289.385 4.690 30 10 CJEE CC(C)CC[C@H](C)N(C)C[C@@]1(C=O)CCCC(C)(C)C1 2186031727 QRQHRSDGBRXWKX-FUHWJXTLSA-N 281.484 4.528 30 10 CJEE C[C@H](N=C1NC2(CCCCC2)CCS1)C1(C)CCCC1 2187754920 XFYISBYPQZVUEQ-AWEZNQCLSA-N 294.508 4.741 30 10 CJEE CCCC1CCC(CN=C2N[C@H](C)[C@H](C(C)C)S2)CC1 2192870410 ZDECJTHCEIULIB-LMPOIIKSSA-N 296.524 4.698 30 10 CJEE CCCC1CCC(CN=C2NC[C@H]([C@H](C)CC)S2)CC1 2192878040 ZDRADHIPMOLDPL-PRLABOORSA-N 296.524 4.700 30 10 CJEE CCCCCCCC(=O)c1cccc(OCC(F)F)c1 2194245562 QWAKXGPLVQRURE-UHFFFAOYSA-N 284.346 4.874 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@H]1CCCCO1 2195487530 RODGDZMMVWGVLN-QZTJIDSGSA-N 281.484 4.771 30 10 CJEE CC#CCCCC[C@@H](NCC)c1coc2ccccc12 2196173591 FMYOZWUFYKCIOM-QGZVFWFLSA-N 269.388 4.667 30 10 CJEE CC#CCCCC[C@@H](CCc1ccccc1)NCCC 2196175280 WQDBLOWCIKDNTO-IBGZPJMESA-N 271.448 4.571 30 10 CJEE CC#CCCCCC(=O)c1ccc(C)c(C(F)(F)F)c1 2196208312 ASBPJFOGJXANQN-UHFFFAOYSA-N 282.305 4.780 30 10 CJEE CCCCCCCCN(C)C[C@H](N)c1ccc(Cl)cc1 2196727335 PILQAPBELJYPQJ-KRWDZBQOSA-N 296.886 4.632 30 10 CJEE CCCCCCCN(C)c1cccc(SCC)c1CN 2196729406 OKJVDCDQLXQQJM-UHFFFAOYSA-N 294.508 4.664 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)C1(C)CCCCCC1)C1CC1 2196836089 HQGAGIQXIVKPSG-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1ccc(C)c(Cl)c1)C1CC1 2196838440 YZRDCANEQADNJC-MAUKXSAKSA-N 289.850 4.739 30 10 CJEE C#CC[C@@H](C)C[C@@H](NCCC)c1cnc(C(C)(C)C)s1 2196849022 NYDNJMCKENSUSH-ZIAGYGMSSA-N 292.492 4.531 30 10 CJEE C#CC[C@@H](C[C@@H](NCC)c1cc(C(F)F)cs1)C1CC1 2196859665 VFGUVZJMIGXSRN-GXTWGEPZSA-N 297.414 4.776 30 10 CJEE C=C(c1ccccc1)[C@H](C[C@H]1C[C@H]1C1CC1)NCCC 2197140212 QSJZNQNHGHYJDP-QYZOEREBSA-N 269.432 4.504 30 10 CJEE CCCCCCCCC[C@H](N)C[C@@H]1C[C@@]12CCCOC2 2198191139 UZRFMPFVRRCLCH-FGTMMUONSA-N 281.484 4.661 30 10 CJEE O=C(C1=CCC(F)(F)CC1)[C@H]1C[C@@H]1C1CCCCCC1 2200122522 LRWHYODPXDYWBA-CABCVRRESA-N 282.374 4.908 30 10 CJEE Cc1cc(C)c(C)c(COc2ccc(C#N)cc2Cl)c1 2203117945 NCCOWSWSRKLYQJ-UHFFFAOYSA-N 285.774 4.716 30 10 CJEE CCCC#CC[C@@H](CCCc1ccccc1)NCCC 2203785992 CAQPNAQHWIICLW-IBGZPJMESA-N 271.448 4.571 30 10 CJEE CCCCCC#CC[C@H](NC)[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C 2203830156 ZNEKFDFLGFFEIX-XSLAGTTESA-N 275.480 4.621 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC1CC2(C1)CC1(CCC1)C2 2204098898 YLVWSYWBSMPJFC-DOTOQJQBSA-N 273.464 4.824 30 10 CJEE CCSc1cccc(N[C@@H]2CC(C)(C)C2(C)C)c1C#N 2205107392 CQVHPEZPHOLYIQ-OAHLLOKOSA-N 288.460 4.907 30 10 CJEE CCCCCCC[C@H](NC)c1nc(C)c(C)n1CCC 2205917174 NUCAXLPEPZDZFX-INIZCTEOSA-N 279.472 4.531 30 10 CJEE C=CCCCCCC[C@H](NN)[C@H]1CCCCCC1(F)F 2206893269 YTQBSOMHYMNUOV-CABCVRRESA-N 288.426 4.561 30 10 CJEE C=CCCCCCC[C@H](NCCC)[C@](C)(O)CCCC 2206901408 BPUUBDRCANPDQG-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE C=CCCCCCC[C@@H](NCCC)[C@@](O)(CC)CCC 2206904230 ZBHFQFMJVRKUOK-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCCCN1CC[C@@]2(CCCO2)C1 2207372022 CGUQCKUXZYEXRJ-SFHVURJKSA-N 279.468 4.548 30 10 CJEE C=CCCCCCCCCCC(=O)[C@@]1(O)CC[C@@H](C)C1 2207376072 WGPXMWSTBPPGPR-SJLPKXTDSA-N 280.452 4.804 30 10 CJEE C=CCCCCCCCC[C@H](N)c1ncoc1C1CC1 2207404650 OKGPKUBMZJAEFU-HNNXBMFYSA-N 276.424 4.859 30 10 CJEE C=CCCCCCCCCNCC(C)(C)[C@H]1CCCO1 2207429537 KIVJTORZLPLZAH-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCNC12CCC(C)(CC1)OC2 2207430512 VWHFFYQSSUWMIZ-UHFFFAOYSA-N 279.468 4.594 30 10 CJEE C=CCCCCCCCC[C@H](NCC)[C@H]1C[C@H]1COC 2207435792 IPLMUAGSRWXEOX-BZSNNMDCSA-N 281.484 4.554 30 10 CJEE C=CCCCCCCCCOC[C@H]1NCCCC1(C)C 2207436265 JWZSQNSWEZBLJO-QGZVFWFLSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCC[C@@]1(C(=O)O)CCO[C@H](C)C1 2207442189 OYZKKDXGTGGOMZ-NVXWUHKLSA-N 282.424 4.563 30 10 CJEE CCCCCCCC[C@@H](O)[C@@H](N)C1=CCC(C)(C)CC1 2207443899 FCZJAISTWZEKPO-SJORKVTESA-N 281.484 4.562 30 10 CJEE CCCCCCCCCNc1ccccc1CN(C)C 2207444666 LDTQIIYDYNCSQA-UHFFFAOYSA-N 276.468 4.911 30 10 CJEE C=CCCCCCCCC[C@H](O)CC1CC(OCC)C1 2207448812 NMUQIGYYWAHIFQ-ADKAHSJRSA-N 282.468 4.859 30 10 CJEE CCCCCCCC[C@H](O)[C@H](CCC(C)=C(C)C)NC 2207457706 QCTHZQKDOGUQGC-ROUUACIJSA-N 283.500 4.822 30 10 CJEE N#C[C@H](c1cccc(Cl)c1Cl)C1CCCC1 2211222238 DEOJHBPERDLTFJ-NSHDSACASA-N 254.160 4.791 30 10 CJEE C=C1CCC(C[C@H](O)c2scc(C)c2C)CC1 2213661015 ZRBGSKPVBRPGNX-AWEZNQCLSA-N 250.407 4.535 30 10 CJEE C=CCCCCCCCN[C@H](C)CCSCC 2214617634 JENRQZHVTILLTL-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C=CCCCCC[C@@](C)(O)c1cc(C)cc(Cl)c1 2221958969 SMHNUDUQUVDZFK-MRXNPFEDSA-N 266.812 4.992 30 10 CJEE C=CCCCCCCC[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)NC 2227267592 HXYVANAXIHNWFE-WNRNVDISSA-N 263.469 4.927 30 10 CJEE C=CCCCCCCC[C@H](O)CCOCCC(C)C 2227287173 KRNKQTKZELKOGK-KRWDZBQOSA-N 270.457 4.717 30 10 CJEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(OC)c1 2227590360 UNBVQDBZHHURMG-STQMWFEESA-N 281.827 4.744 30 10 CJEE CCCC(CS)(CCC)CO[C@@H]1CC[C@H]2[C@H]1C2(F)F 2230409540 FQNDXNLUXNCGOO-YNEHKIRRSA-N 292.435 4.563 30 10 CJEE CCCCCCCC[C@@H](O)C#Cc1ccc(Cl)cc1 2231075646 FJZWRZYFSDJOBW-QGZVFWFLSA-N 278.823 4.803 30 10 CJEE CC1CCC(C#N)(Cc2coc3ccccc23)CC1 2232347190 CINFOHGHSDRDEO-UHFFFAOYSA-N 253.345 4.695 30 10 CJEE CCCN[C@H](C#CC(C)(C)C)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233783916 YDWMQPRZABCGAY-VSZNYVQBSA-N 275.480 4.621 30 10 CJEE C=CCCCCCCC[C@@H](N)[C@](C)(CC)N(CC)CC 2235513971 OVPNEBOLPSTQGV-MSOLQXFVSA-N 282.516 4.741 30 10 CJEE C=CCCCCCCCNC[C@@H](C)Oc1ccccc1 2235514963 ZVASSAHBXQQBAF-QGZVFWFLSA-N 275.436 4.570 30 10 CJEE C=CCCCCCCC[C@@H](Cc1ccncc1)NCC 2235531642 BFLFHGKARVZLMJ-SFHVURJKSA-N 274.452 4.519 30 10 CJEE C=CCCCCCCC[C@@H](N)c1c(C)cccc1OC 2235532895 OTBKEAJQBPJBGN-MRXNPFEDSA-N 275.436 4.920 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C1(C)CC2(CCC2)C1 2236523407 BDALUZZOWWRQIK-INIZCTEOSA-N 275.480 4.765 30 10 CJEE CC(C)(C)C#CCCNC1CC(c2cccc(Cl)c2)C1 2238720867 ZGBRWILMQVOVIW-UHFFFAOYSA-N 289.850 4.615 30 10 CJEE CCCCCCCCCCO[C@H]1CCCC(F)(F)[C@@H]1N 2239489660 KLEOQTRZUDSHDR-LSDHHAIUSA-N 291.426 4.659 30 10 CJEE C=CCN(CCC)c1ccc(CN[C@@H](C)CC)c(Cl)c1 2240017722 VWCRXLOZNRAHGE-AWEZNQCLSA-N 294.870 4.631 30 10 CJEE C=CCC[C@H](C)Oc1cc(Cl)ccc1CNC1CCC1 2240248098 SUYSMBKDGUGCOV-ZDUSSCGKSA-N 293.838 4.716 30 10 CJEE N#C[C@@]1(Cc2ccc(C3CC3)cc2)CCCC(F)(F)C1 2240356277 YSZBJVHMGWDFGE-MRXNPFEDSA-N 275.342 4.826 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccccc1OC 2240641446 AUDXKODZJHGRPV-MRXNPFEDSA-N 277.452 4.924 30 10 CJEE CCCCCCCC[C@H](C)NCC12CC(C)(C1)O[C@H]2C 2240659061 ZYAHSWQSTIPKPT-VYMRPNJYSA-N 281.484 4.673 30 10 CJEE CCCCCCCC[C@H](C)N[C@@H](C)[C@@H](OC)C(F)(F)F 2240665656 FSNUSZUTKRAMIA-MELADBBJSA-N 297.405 4.681 30 10 CJEE C=C(C)CCCCN[C@@H](C)c1ccc(Br)cc1 2250160940 GMXGCNXUGBAIMN-ZDUSSCGKSA-N 296.252 4.846 30 10 CJEE C=CCCCC[C@H](O)c1ccc(C(F)(F)F)s1 2252684621 WCXOHOFPCCSPGY-VIFPVBQESA-N 264.312 4.547 30 10 CJEE CCCCCCSCc1cc(F)ccc1C#N 2252961442 ZUYAPWLZNVMKTF-UHFFFAOYSA-N 251.370 4.511 30 10 CJEE CCCCCCCCC[C@@](C)(N)c1cnc(C)s1 2257454419 QEDFUJYENDXUTH-OAHLLOKOSA-N 268.470 4.766 30 10 CJEE C=CCCCCCCCS[C@H]1CCCCC[C@H]1O 2259002157 YBZDUIONTQFZIX-CVEARBPZSA-N 270.482 4.940 30 10 CJEE C=C(C)CCCCN[C@@H]1CC(C)(C)CCC1(C)C 2261437622 CKFAJVCVDGPVJV-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE C=C1CCC(CC(=O)[C@@H]2CC(F)(F)C23CCC3)CC1 2266134273 UIQVFIJGLZQWAH-ZDUSSCGKSA-N 268.347 4.518 30 10 CJEE C#CC1(OCc2cc(Cl)nc(Cl)c2)CCCCCC1 2271192298 BKXMEPLLBSFYBV-UHFFFAOYSA-N 298.213 4.631 30 10 CJEE C=CCCC[C@@H](CC1CC2(CC(C)C2)C1)NCCC 2272201930 WQEQRNRHTNEDPY-DFQJWARBSA-N 263.469 4.927 30 10 CJEE CC(C)CCC[C@H](C)CC[C@]1(C=O)C[C@H](C)O[C@@H]1C 2272252776 NDTPSFDHLQDAAK-MWDXBVQZSA-N 268.441 4.612 30 10 CJEE CC1(C)CCC[C@@H]([C@H](N)C#CC2CCCCC2)CC1 2273981526 CKUBUUDYNAWUDL-IAGOWNOFSA-N 261.453 4.504 30 10 CJEE CCCC1CCC(C=O)(CC#CC2CCCC2)CC1 2274131832 XJECUCZLKNBCNN-UHFFFAOYSA-N 260.421 4.746 30 10 CJEE CC(C)(C)C1CC([C@@H](C#N)Nc2ccccc2Cl)C1 2274214766 OOADEDHSHGKCFU-KOHJWAIASA-N 276.811 4.716 30 10 CJEE CCC[C@H](CS)CN(C)[C@H]1CC(C)(C)CCC1(C)C 2274550756 RRYLOTNQEQYIGO-GJZGRUSLSA-N 285.541 4.869 30 10 CJEE C=C(C)CCCC[C@@H](OCCCN)[C@H](C)CC(C)C 2276157824 CMHZVPSYOSQJQC-IAGOWNOFSA-N 269.473 4.539 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1(CC)CCC1 2276576071 RGBVFNONQHALRY-MRXNPFEDSA-N 269.473 4.661 30 10 CJEE CCOc1ccc(C2(C#N)CCCCCCC2)cc1 2277456702 YSZYTIVFFSYPKQ-UHFFFAOYSA-N 257.377 4.591 30 10 CJEE C[C@@H]1CCC[C@](C#N)(C2C3CC4CC(C3)CC2C4)C1 2277567864 PAKKHDIMGAOSIF-BIIBTNFESA-N 257.421 4.779 30 10 CJEE C#CCCCCC[C@H](NC)c1ccc(C(F)(F)F)s1 2277677608 JQXIMCOLWSZUIF-NSHDSACASA-N 289.366 4.611 30 10 CJEE CCCCCCCCC[C@@H](C)N[C@@H]1CCCOCC1 2278239002 LEWLXTRIQDAXLM-IAGOWNOFSA-N 269.473 4.674 30 10 CJEE CCCCCCCCC[C@@H](C)NC[C@@H](CC)CCO 2278247199 UOYXIEGWERWQRL-SJORKVTESA-N 271.489 4.514 30 10 CJEE C=CCCCCCCCCOc1ccc(CO)c(C)c1 2282925139 ANZIQADCSHEDFV-UHFFFAOYSA-N 276.420 4.783 30 10 CJEE CCCC#CC[C@H](NCCC)c1cc(OC)ccc1Cl 2283347906 YLGZWBVWHXDRGK-KRWDZBQOSA-N 293.838 4.583 30 10 CJEE CN[C@H](CCC=CC#CC(C)(C)C)c1ccccc1Cl 2284074237 ZOUHGRAFBLBZQW-QGZVFWFLSA-N 289.850 4.986 30 10 CJEE CCN[C@@H]1CC[C@@H](C)CC[C@H]1CC=CC#CC(C)(C)C 2284087268 BKXZSMXZBZQVEF-RCCFBDPRSA-N 275.480 4.787 30 10 CJEE C=CCCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C(=O)O 2287190529 ZJAGYFABZYPZML-QLFBSQMISA-N 298.492 4.992 30 10 CJEE C=C(C)CCCC[C@@H](NCCC)c1cnn(C(C)C)c1 2287472563 KTQMEKBFZHRSSK-QGZVFWFLSA-N 277.456 4.641 30 10 CJEE CCC[C@@](C=O)(CC)CN1CCC[C@H](C(C)(C)C)CC1 2287679151 CEGJHBOCSWRQGT-WMZOPIPTSA-N 281.484 4.530 30 10 CJEE CCC[C@H](CC)[C@H](O)C(=O)C1=CC[C@H](C(C)(C)C)CC1 2287715230 APWCQTOKDUJOQK-BPUTZDHNSA-N 280.452 4.515 30 10 CJEE CCN[C@H]1C[C@H](CC#CC2CCCC2)CC2(CCC2)C1 2289876379 VUBQGVRCBKARBZ-ROUUACIJSA-N 273.464 4.519 30 10 CJEE CCCCC#CC[C@H](CCCCCCC)OCCCN 2292571484 FDSOECINADGULR-SFHVURJKSA-N 281.484 4.665 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)c1cscc1C 2292771620 TYZXGQOXUNPTCS-QGZVFWFLSA-N 295.492 4.990 30 10 CJEE C=CCCCCC1(OCCCN)CC2(CCCCC2)C1 2293267612 AOHLVKOAVPMRSU-UHFFFAOYSA-N 279.468 4.581 30 10 CJEE C=CCCCC[C@@H](OCCCN)C1CCC(C)(C)CC1 2293269855 WGELSUIEGPRVQD-QGZVFWFLSA-N 281.484 4.683 30 10 CJEE C#CCCCCC[C@@](CC)(CCCCC)OCCCN 2293436404 GRKCJCQQVBAQQO-GOSISDBHSA-N 281.484 4.665 30 10 CJEE CCCCCCCCCC[C@H](OCCN)c1ccsn1 2293526487 APFWPEFSQNVVEE-INIZCTEOSA-N 298.496 4.690 30 10 CJEE CCCCCCC[C@@](C)(C[C@@H](C)C(F)F)OCCCN 2293688706 RQYUJYJABKYNSM-ZBFHGGJFSA-N 293.442 4.762 30 10 CJEE C=CCC[C@H](C)[C@@](C)(OCCCN)c1ccc(Cl)cc1 2294230600 KGRPQRDSAIIFNE-WMLDXEAASA-N 295.854 4.523 30 10 CJEE C=C(C(C)(C)C)[C@]1(OCCCN)CCCC(C)(C)CC1 2294274988 ICEWRHSSGDIGHG-SFHVURJKSA-N 281.484 4.683 30 10 CJEE C=C([C@]1(OCCCN)CCC[C@@H](CC)CC1)[Si](C)(C)C 2294325400 TZSOCRLEDJFIGM-SJORKVTESA-N 297.559 4.515 30 10 CJEE CCCCCCC[C@@H](C[C@@H]1CC12CCCC2)OCCN 2294409906 MFANJEHKCFGPLZ-SJORKVTESA-N 281.484 4.661 30 10 CJEE CCN[C@@H](C#Cc1ccccc1Cl)C(C)(C)C(C)(C)C 2295210669 BTMFPRWLKLNGRP-INIZCTEOSA-N 291.866 4.742 30 10 CJEE CCCCCCS[C@@H]1CCC[C@@](C#N)(NCCC)[C@H]1C 2295693642 IEXBFDHUYZCHMQ-BBWFWOEESA-N 296.524 4.750 30 10 CJEE CCCCCCS[C@@H]1CC[C@](C#N)(NC(C)C)[C@@H]1CC 2295766722 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C=CCC(C)(C)[C@H](NC)c1c(F)ccc(C)c1Cl 2321146106 WCSUIFIGIMAROB-CQSZACIVSA-N 269.791 4.650 30 10 CJEE C=C(Cl)[C@@H](O)CCC1CCC(CC(F)(F)F)CC1 2327946775 HBEIYRLYAUGXJN-MCIGGMRASA-N 284.749 4.639 30 10 CJEE C=CC[C@H](C)SCC[C@@H](NCCC)c1ccccc1 2335191543 QFMUSWXBNXTALD-DOTOQJQBSA-N 277.477 4.815 30 10 CJEE C=CC[C@H]1CCC[C@H]1Nc1nc(C)cc2sccc12 2337084068 HBJCDYBTTXKWDO-GXTWGEPZSA-N 272.417 4.761 30 10 CJEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cccc(Cl)c21 2337150338 CNLXHDYJZMFCEK-MFKMUULPSA-N 292.835 4.896 30 10 CJEE C=CCC(CC=C)[C@@](C)(N)c1ccc(C(F)(F)F)s1 2338744851 RGCAWZSCCBMADT-CYBMUJFWSA-N 289.366 4.709 30 10 CJEE C=CCC(CC=C)[C@H](O)c1cc2c(s1)CCCCC2 2338746432 GNBFGMPKCIUCPW-KRWDZBQOSA-N 276.445 4.819 30 10 CJEE C=C(C)C[C@H](C[C@@H]1CCCC[C@H]1C(F)(F)F)NCC 2341927965 CQQLIEUJZZEZBS-BFHYXJOUSA-N 277.374 4.690 30 10 CJEE C=C1CCC(CC(=O)c2cccnc2C(C)C)CC1 2342166771 OXZQSDXLZVTENT-UHFFFAOYSA-N 257.377 4.524 30 10 CJEE C=C1C[C@H]1C[C@H](NCCC)c1cccc(C(C)C)c1 2343604837 ZPYNEBBQYKBKOL-ROUUACIJSA-N 257.421 4.817 30 10 CJEE C=CC[C@](C)(CC)[C@H](CCCOC(C)C)NCCC 2344335998 FKXUVZOSKPEUEM-IRXDYDNUSA-N 269.473 4.552 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1nc(C)c(C(C)(C)C)s1 2344340785 VKDHIFUHKHEJMP-WCQYABFASA-N 280.481 4.612 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(OCCC)cc1 2344465033 XKAQXJCTHVMORO-DLBZAZTESA-N 262.393 4.501 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)C[C@@]1(C)CCCCC1(F)F 2344472561 BUFYKSZLYDOUHD-QLFBSQMISA-N 274.395 4.945 30 10 CJEE CC(C)N(Cc1cccs1)CC1(CS)CC(C)(C)C1 2345018732 ISLOMJMZTYDYMM-UHFFFAOYSA-N 297.533 4.695 30 10 CJEE C=CC[C@H](C)S[C@@]1(C(=O)O)CCCC[C@H]1C(C)(C)C 2352226491 VZWOPMSLLAJTTN-XEZPLFJOSA-N 284.465 4.744 30 10 CJEE C=C(c1ccccc1)[C@@H](NCCC)[C@@H]1C[C@H]1CC(C)C 2357492672 YWBVGUXFFRAQRP-GUDVDZBRSA-N 271.448 4.750 30 10 CJEE N#C[C@@H](C(=O)[C@@H]1C[C@H]1C1CCCCCC1)c1ccsc1 2357710685 UGUYGMXIFAPEPV-ARFHVFGLSA-N 287.428 4.531 30 10 CJEE N#C[C@@]1(C[C@@]23CCCC[C@@H]2CC3)CCOC12CCCC2 2359825842 NBISOAGTCAIHJB-IKGGRYGDSA-N 273.420 4.590 30 10 CJEE C=CCC(CC=C)Oc1ccccc1[C@H](CC)NCC 2360219297 GXWUZSFIRRBIBI-KRWDZBQOSA-N 273.420 4.647 30 10 CJEE C=CCC(CC=C)OCc1ccsc1CN[C@H](C)CC 2360219423 ILSVCTWEKGXQSA-CQSZACIVSA-N 293.476 4.674 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)[C@@H](C)CC1CCC1 2360323647 JQQAADDUIJRCKM-YJBOKZPZSA-N 282.468 4.883 30 10 CJEE C=CCC(CC=C)NC[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2360323859 LKTCFOHTRNWVRF-QKDCVEJESA-N 283.406 4.558 30 10 CJEE C=CCC(CC=C)Sc1ccc(CN[C@@H](C)CC)cn1 2360375279 OFMPSWPEGZOMBM-AWEZNQCLSA-N 290.476 4.583 30 10 CJEE Cc1ccc2[nH]c(-c3ccc(C)c(C)c3)c(C#N)c2c1 19724750 GGTHDYAYLHMJKA-UHFFFAOYSA-N 260.340 4.632 30 10 CJEE C[C@H]1C[C@H]1c1ccc(CNc2ccc(Cl)c(C#N)c2)o1 36973005 LATYZJWXWJMOLT-IINYFYTJSA-N 286.762 4.540 30 10 CJEE N#C[C@H](Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 37937044 ZGIVBKVQXAWCIY-AWEZNQCLSA-N 294.251 4.521 30 10 CJEE N#CCc1ccc(C(F)(F)F)cc1-c1cccc(F)c1 47205202 DWERZCMNNXISDG-UHFFFAOYSA-N 279.236 4.578 30 10 CJEE C[C@@H](NCc1ccc(C#N)cc1)c1cccc2ccccc12 52661276 MUKCHFXYFMJTFY-OAHLLOKOSA-N 286.378 4.562 30 10 CJEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1Cl 54823263 MFNQTBBBFBYPDG-ZWNOBZJWSA-N 283.202 4.878 30 10 CJEE Cc1cccc(CS[C@@H]2CCCCC[C@H]2C#N)c1 54965708 XPICAFAFTQYCFR-JKSUJKDBSA-N 259.418 4.701 30 10 CJEE Cc1ccc(C)c(OCCC[C@H](C#N)c2ccccc2)c1 57684465 AXNREWNXVBUQDY-GOSISDBHSA-N 279.383 4.770 30 10 CJEE N#C[C@@H](CCOc1cccc(Cl)c1)c1ccccc1F 57686642 CPCTUIWWSATMFC-GFCCVEGCSA-N 289.737 4.555 30 10 CJEE Cc1ccc(OCCCSCc2ccccc2C#N)cc1 58239782 MKHQTIUXBHHYLY-UHFFFAOYSA-N 297.423 4.569 30 10 CJEE C[C@@H](C#N)Cc1ccc2cccc(Oc3ccccc3)c2n1 62704513 FAVQXBSANSAJHG-CQSZACIVSA-N 288.350 4.729 30 10 CJEE CC[C@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)C1 71125201 WNHDEVJAZTWNAG-SWLSCSKDSA-N 262.784 4.614 30 10 CJEE CCc1ccc(OC)c(-c2cc(CC#N)c(C(C)C)o2)c1 77079802 MSKBZCXTKMAJSP-UHFFFAOYSA-N 283.371 4.707 30 10 CJEE N#CC1(Cc2ccc(Br)s2)CCCCC1 83775542 LWMACGXAXZIQIU-UHFFFAOYSA-N 284.222 4.527 30 10 CJEE COc1ccc(C)cc1C1(C#N)CC2(CCCCC2)C1 86537800 FHCSNXBUTXNFCV-UHFFFAOYSA-N 269.388 4.509 30 10 CJEE Cc1ccc(C)c(SCC[C@@H](C)CCS)c1 87096156 UGRPJDWMLHQFIM-NSHDSACASA-N 254.464 4.742 30 10 CJEE CC(C)(C#N)CCCNc1ccccc1SC(F)F 87597006 DPLXEIWVOVANIG-UHFFFAOYSA-N 284.375 4.743 30 10 CJEE C#CC[C@@H](CCC)c1cc(Cl)c(C)cc1OC 107620082 PPZRJRUBBOYFTR-LBPRGKRZSA-N 250.769 4.564 30 10 CJEE CCCCCCCC[C@@H](O)Cc1cccc(Cl)c1 109712354 BXCJSUUYBFTRHB-MRXNPFEDSA-N 268.828 4.994 30 10 CJEE CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1Nc1cc(Cl)ccc1C#N 112939162 NGMQLBPUANSEFQ-MJEQTWJJSA-N 288.822 4.838 30 10 CJEE CCCCCCCC(=O)[C@H]1CCc2ccccc2C1 115047757 VBHSNXXFVDAPGS-KRWDZBQOSA-N 258.405 4.721 30 10 CJEE CCCCCCCCC(=O)N(CCC)c1ccc(N)cc1 115854734 KIRYHXUKENPRAX-UHFFFAOYSA-N 290.451 4.762 30 10 CJEE CCCCCCC[C@H](Cc1ccc(C)cn1)NCCC 118070445 VDKWOYQMUNQQHW-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE CCCCCCCCN1CCC[C@@H](N)c2ccccc21 122837242 BTEWSGFJXVWWSV-QGZVFWFLSA-N 274.452 4.647 30 10 CJEE Cc1oc2ccccc2c1CNc1cc(Cl)ccc1C#N 123239892 PBSWQIHSYTXJPW-UHFFFAOYSA-N 296.757 4.878 30 10 CJEE CCCCCCCCCN1CCCC[C@H]1CC(C)=O 123278265 HEELCHZKJUEYBM-KRWDZBQOSA-N 267.457 4.571 30 10 CJEE CC1(C)CCC(OC[C@H](CS)c2ccccc2)CC1 125886638 OICUGYNVWBRYFL-OAHLLOKOSA-N 278.461 4.685 30 10 CJEE CCCCCCC[C@H](C)NCc1cscc1C 125893902 PVJLUDXAFJPMHJ-AWEZNQCLSA-N 253.455 4.895 30 10 CJEE CCCCCCCNCC(C)(C)c1cccs1 126096394 PWFIEXHCUMDTMB-UHFFFAOYSA-N 253.455 4.586 30 10 CJEE CSc1cccc(Nc2ccc(C)c(Cl)c2)c1C#N 136605127 AFRXSZNPDRKBBB-UHFFFAOYSA-N 288.803 4.986 30 10 CJEE CCSc1cccc(N(C)c2ccccc2F)c1C#N 136655522 HJOOXRPOMHXNNB-UHFFFAOYSA-N 286.375 4.577 30 10 CJEE CC[C@@H]1CCCC[C@H]1Oc1cccc(SC)c1C#N 136701046 UIEDNTSDPUKUEN-TZMCWYRMSA-N 275.417 4.628 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@@]1(C#N)Nc1ccccc1Cl 156060420 FWCFBRKKWNXNPH-WBMJQRKESA-N 276.811 4.860 30 10 CJEE CCCCCCCCC[C@H](O)c1ccnc(Cl)c1 156103888 XNEQUDMBWPJQPP-AWEZNQCLSA-N 269.816 4.909 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(F)cc(Cl)c2)C1 161410019 VDXPTOMEKHUGBX-HFBAOOFYSA-N 295.785 4.623 30 10 CJEE CCCCCCCn1cc(CO)c2ccc(Cl)cc21 163955090 BATKUHJSRZWPBS-UHFFFAOYSA-N 279.811 4.757 30 10 CJEE C=CCCC[C@@H](NCCC)c1cc2c(s1)CCC2 167696353 PUVXFMDXJJVKHT-CQSZACIVSA-N 263.450 4.634 30 10 CJEE CC(C)=CCC/C(C)=C\CB1OC(C)(C)C(C)(C)O1 216440041 ORYGVSJUFVNSST-KAMYIIQDSA-N 264.218 4.771 30 10 CJEE CCCCCCCCCCCCC(=O)CCCCN 226369730 CTKIXICGGMZRNP-UHFFFAOYSA-N 269.473 4.996 30 10 CJEE CCCCCCCCCC(=O)[C@@H](OC)C(C)(C)C 227425456 BCBHOSAZKDOEDV-OAHLLOKOSA-N 256.430 4.757 30 10 CJEE CCCCCCCCCCN1CC[C@H](NCC)[C@@H](C)[C@@H]1C 227579956 LMSJXHILTBDWAP-FHWLQOOXSA-N 296.543 4.836 30 10 CJEE CC[C@H](C)C[C@@H](C)Nc1ccc(Br)cc1C#N 229174136 YQPUOQKCRYHAHU-WDEREUQCSA-N 295.224 4.557 30 10 CJEE C#CCCC[C@H](N)CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 229284982 UUPGIMRYDOULIX-MWXXRFSMSA-N 273.464 4.504 30 10 CJEE CCCCCCCCCc1onc(N)c1C(C)C 229861909 UJCSFNOENLKZEA-UHFFFAOYSA-N 252.402 4.673 30 10 CJEE CCCCCCCC[C@H](NN)c1c(C)cc(C)cc1F 232964587 WYCRDEZBEQNUTQ-INIZCTEOSA-N 280.431 4.698 30 10 CJEE CC[C@H]1CCCCN1[C@H](C#N)c1cccc(Cl)c1Cl 251921323 YNHLPKRVRDNGOF-SMDDNHRTSA-N 297.229 4.823 30 10 CJEE CC(C)C1CCC(C#N)([C@@]2(O)C[C@H](C)CC[C@H]2C)CC1 252558016 UKKPVVYROSWEGH-BNEJOAPWSA-N 277.452 4.530 30 10 CJEE Cc1ccc(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(C#N)c1 300460565 WWTRNVCIGMTMME-QILLFSRXSA-N 271.404 4.706 30 10 CJEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1F 308058184 SQOISYRMMFWLNZ-WCQYABFASA-N 295.785 4.728 30 10 CJEE CCCCCCCCCOc1cccc2c1[C@@H](N)CC2 312780691 HRBNCOVWRILPMC-INIZCTEOSA-N 275.436 4.762 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C)c(C)n1 313784507 ACEADRWXWWNWQJ-HNNXBMFYSA-N 262.441 4.537 30 10 CJEE CC[C@H]1CCC[C@](C=O)(Cc2c(C)cccc2C)C1 316910283 VJNMTVSTYVRKPP-FUHWJXTLSA-N 258.405 4.631 30 10 CJEE O=CC1(Cc2ccc(F)cc2Cl)CCCCCCC1 317016508 SSHLNDJBNVBHPC-UHFFFAOYSA-N 282.786 4.951 30 10 CJEE Cc1cccc(C)c1CC1(C=O)CCC(C)(C)CC1 317219388 KXNXIGXXYKJSQZ-UHFFFAOYSA-N 258.405 4.631 30 10 CJEE CC#CCCC1(CNC2CC2)CCC(CCC)CC1 317580838 FQSFCKIOJJWKFR-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE CCC1CCC(C=O)(C[C@@H]2CCC(F)(F)C2)CC1 317621322 UMAXESIOGQDCRO-MOKVOYLWSA-N 258.352 4.597 30 10 CJEE CC[C@H]1CC[C@](C=O)(Cc2ccc(Cl)cc2Cl)C1 317684244 IDHDWSBBSVBMRY-XHDPSFHLSA-N 285.214 4.931 30 10 CJEE CC1(C)CCC(C=O)(Cc2ccc(F)c(Cl)c2)CC1 317915961 RXTCOUYNHHYUAV-UHFFFAOYSA-N 282.786 4.807 30 10 CJEE C=C(C)CC1(CNC(C)C)CCC(CCC)CC1 318094482 PYMNEHZCASPUPP-UHFFFAOYSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@]2(O)CCCC23CCCC3)C1 328120147 QSRNZOUVJQILTP-BPQIPLTHSA-N 275.436 4.572 30 10 CJEE CCCCCCCCC[C@@H](O)c1csc(CC)n1 328136475 PKRPVBSYGGHSDM-CQSZACIVSA-N 269.454 4.880 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(c2c([N+](=O)[O-])ccc(Cl)c2C)C1 380280996 BIQKJAAXZLBEIA-IAQYHMDHSA-N 292.766 4.528 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1c(Cl)cccc1Cl 395076534 RBIINIJYZIVZPY-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE C=C[C@@H](C)ON[C@H](CC)c1ccc(Cl)cc1Cl 400912563 FRHFSUFZDIVWGC-NOZJJQNGSA-N 274.191 4.540 30 10 CJEE CCCCCCCC[C@@H](NCC)C1CCSCC1 401517124 ZPCCSEBBLOIBHC-MRXNPFEDSA-N 271.514 4.858 30 10 CJEE Cc1ccccc1C(=O)/C=C\c1c(F)cccc1Cl 606208317 UNNHKPQHNQNKMR-KTKRTIGZSA-N 274.722 4.684 30 10 CJEE C#CCCCCCNc1ccc(OCc2ccccc2)cc1 686682564 FHJCQHITNCNILA-UHFFFAOYSA-N 293.410 4.871 30 10 CJEE C#CCCCCC[C@H](CCCc1ccccc1)NCC 686694445 AKSVPLXLZNXPAK-LJQANCHMSA-N 271.448 4.571 30 10 CJEE CC1(C)CC(C)(C)CC(C=O)(CCOCC2CCC2)C1 689449062 PDFCRTYYWRYVMN-UHFFFAOYSA-N 280.452 4.615 30 10 CJEE N#Cc1cc(NCc2cccc(F)c2Cl)ccc1Cl 690216037 OVEGKYJDNVYJOT-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE Cc1cc(NC[C@H](C#N)C2CCCC2)cc(C)c1Cl 690301660 OTQHWPZFIJOKAC-AWEZNQCLSA-N 276.811 4.699 30 10 CJEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 691055330 VBMSZSYOLNDMOE-WBMJQRKESA-N 276.811 4.982 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)CCc1ccccc1 692214660 KOCCVSLVHQEWQU-QRQLOZEOSA-N 271.448 4.732 30 10 CJEE CN(C[C@@H](C#N)C1CCCC1)[C@@H]1CCCC(C)(C)CC1 697849678 MJNLANBJFNROHC-IAGOWNOFSA-N 276.468 4.607 30 10 CJEE C=C1C[C@H]2CC(N[C@@H]3CCCCC[C@H]3C)C[C@@H](C1)C2 700367124 TZZRQEZRMAHLQU-FNNOIMFVSA-N 261.453 4.680 30 10 CJEE Cc1cccc(N[C@@H](C#N)c2csc(C(F)(F)F)c2)c1 703314550 ZHJLKMXWCYJDHY-LBPRGKRZSA-N 296.317 4.752 30 10 CJEE CCCCCCCCN1[C@H]2CC[C@H]1c1cc(N)ccc12 703955405 SMCQUNBZXDGZJE-ROUUACIJSA-N 272.436 4.821 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)nc1 704224919 YRCIUECJJGHIJM-CYBMUJFWSA-N 289.341 4.884 30 10 CJEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1c(F)cccc1Cl 704935979 BFCHXRQFJFYQOK-WOPDTQHZSA-N 265.759 4.913 30 10 CJEE C=C(Cl)C[C@@H](NC)C1CCC(C(C)(C)C)CC1 710546569 FOPQUSOLLGQSQF-JXQTWKCFSA-N 257.849 4.570 30 10 CJEE CC[C@H](CC(=O)[C@H](C#N)c1ccc(C)cc1)C(C)(C)C 711148183 RBDPLBKOQHLPBV-HZPDHXFCSA-N 271.404 4.634 30 10 CJEE CCCCCCCCCCNC[C@@H]1CCC(C)(C)CO1 713600090 AHQXWEIYDVQJBQ-KRWDZBQOSA-N 283.500 4.922 30 10 CJEE CCCC1CCC(C=O)(CC[C@@H]2C[C@H]2C2CC2)CC1 714949723 YOISNMIPLKTYAM-MKFDVMFOSA-N 262.437 4.988 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(C)cc2Cl)CC1 724551633 FSKSVALUDUHDJM-INIZCTEOSA-N 264.796 4.818 30 10 CJEE C=C1CCC(COc2ccc(C)cc2Br)CC1 724571072 VGCVOBOERRXLHL-UHFFFAOYSA-N 295.220 4.883 30 10 CJEE C=C1CCC(C[C@H](N)C(C2CCC2)C2CCC2)CC1 724589312 QJQGGGZTXHTYGK-KRWDZBQOSA-N 261.453 4.667 30 10 CJEE CC(=O)ON=C(CCc1ccccc1)C1(C)CCCCC1 1084487134 OBSGNMNPJYUHTC-UHFFFAOYSA-N 287.403 4.509 30 10 CJEE C=C(C)C(C)(C)C(=O)N1CCCC2(CCCCC2)CC1 1128131746 FGMXCXGVLLFQAE-UHFFFAOYSA-N 277.452 4.552 30 10 CJEE C=CCC1(CNC(=O)[C@H](CC)Cc2ccccc2)CCCC1 1128861939 GGVCGBBEZHZGIL-GOSISDBHSA-N 299.458 4.508 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2ccsc12 1130905336 XWISSLPIUGZOKI-XJKSGUPXSA-N 299.439 4.766 30 10 CJEE C=CCCC(C)(C)NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 1131385203 SZBXVCFDHZFBGL-KAMYIIQDSA-N 299.458 4.858 30 10 CJEE C=C(CC)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C 1136473942 FLMJUSJGEYTYSE-ZDUSSCGKSA-N 277.433 4.790 30 10 CJEE C=CCN(CCc1ccccc1)Cc1cc(C)ccc1C 1167273409 FPMDTZMHHKZMFQ-UHFFFAOYSA-N 279.427 4.534 30 10 CJEE C=C(C)CN1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C 1168263004 AHUJZXRCZCSGLV-UWJYYQICSA-N 291.438 4.641 30 10 CJEE C=CCN(C/C=C/c1ccc(F)cc1)c1ccccc1 1180970970 XVUVKSXWPSNULG-VOTSOKGWSA-N 267.347 4.532 30 10 CJEE C=CCCC[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccccc1 1183551392 QTXJZLPKCVWHGZ-GJZGRUSLSA-N 298.257 4.867 30 10 CJEE C=CCC[C@@H](CC)NCCc1c(OC)ccc2ccccc12 1183755798 VYEKQIPQUIQSON-QGZVFWFLSA-N 297.442 4.725 30 10 CJEE C=CCOc1ccc(CN[C@@H]2CCCC(C)(C)CC2)cc1 1202366993 VCZHOYDGNPUKBZ-QGZVFWFLSA-N 287.447 4.700 30 10 CJEE C=C(C)CCNCc1cc(-c2ccccc2C)ccc1OC 1202505855 ZWIUJUWGMVAAOE-UHFFFAOYSA-N 295.426 4.726 30 10 CJEE C=CCCCCCCNC(=O)Cc1ccc2ccccc2c1 1271935847 TXHALAYXXIFUJN-UHFFFAOYSA-N 295.426 4.635 30 10 CJEE C=CCC(C)(C)CNC(=O)[C@H](c1ccccc1)[C@H](C)CC 1273994323 JYSICRJPINUNTH-WBVHZDCISA-N 287.447 4.535 30 10 CJEE CCCCCCCCCCN1C[C@H](C)OC(C)(C)C1 1307435670 PQLSZRNGLQOKDM-INIZCTEOSA-N 269.473 4.626 30 10 CJEE C=CCCCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1307762304 FQZUUDNWENAFJQ-OAHLLOKOSA-N 299.336 4.592 30 10 CJEE C=CC[C@H]1CCCN([C@@H](C)c2c(C)cc(C)cc2C)C1 1307914569 HSKVHQZVVSTZKU-ROUUACIJSA-N 271.448 4.961 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@H]1CCC(C)=C(C)C1 1436018638 AVHRVMKBQRNGAN-KRWDZBQOSA-N 283.415 4.880 30 10 CJEE C#Cc1ccc(NC(=O)c2ccc(C3CCCC3)cc2)cc1 1439960945 MYVJCXYMHXNOSA-UHFFFAOYSA-N 289.378 4.578 30 10 CJEE C=CCCC(=O)N1c2ccccc2CC[C@H]1c1ccccc1 1439968132 XDLSCYMMAYFPOZ-IBGZPJMESA-N 291.394 4.673 30 10 CJEE C=CCN(C(=O)[C@@H](CC)CC1CCCCC1)C(C)(C)C 1461628108 JWBIGBUOLAESMA-INIZCTEOSA-N 279.468 4.796 30 10 CJEE C=CCC[C@@H]1CCCN1Cc1c(Cl)cccc1OCC 1473857524 VKGZZUGEXOIUAQ-CQSZACIVSA-N 293.838 4.669 30 10 CJEE C=CCC[C@@H](C)Nc1cc(OC)c(Cl)cc1C1CC1 1474605605 PAKVVVBDTJBMDS-LLVKDONJSA-N 279.811 4.993 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)[C@H](C)C(CC)CC 1521556735 QTQIQJHVUOTFKH-OAHLLOKOSA-N 279.468 4.654 30 10 CJEE C=CCC1(NC(=O)CC2CCCCCC2)CCCCC1 1525770156 VYCSGYIESRTSDA-UHFFFAOYSA-N 277.452 4.742 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 1538139059 GVDRPJVZIROMKB-YQQAZPJKSA-N 285.431 4.816 30 10 CJEE C=CC[C@@H](Cc1ccccc1)Nc1nc2cc(C)ccc2o1 1559211421 MCRBXQLRJWDKQO-INIZCTEOSA-N 292.382 4.736 30 10 CJEE C#Cc1ccc(N[C@H](C)CCCCC=C)c(Cl)c1 1561031346 OEHJUSBMRSLBMY-CYBMUJFWSA-N 261.796 4.868 30 10 CJEE Fc1ccccc1C#Cc1c(Cl)cccc1Cl 1614730528 COKRBRDSXYQDIJ-UHFFFAOYSA-N 265.114 4.532 30 10 CJEE C=CC1(CC(=O)N[C@@H]2CCCc3ccccc32)CCCCC1 1616552317 UJEQKFKPMHOYLJ-GOSISDBHSA-N 297.442 4.707 30 10 CJEE C=CCCCC[C@H](C)N[C@H]1C[C@H](c2ccccc2F)C1 1621293888 OJZHNDMCDCQMJF-JYJNAYRXSA-N 275.411 4.796 30 10 CJEE C=CCCCCCCCNC(=O)N1CCC[C@@H](C(C)C)C1 1635932955 SINKDYVFDKBGHZ-QGZVFWFLSA-N 294.483 4.591 30 10 CJEE C=CCC[C@H](C(=O)N(O)CCCCCC)c1ccccc1 1639067036 IICOKCYDEHQVJK-KRWDZBQOSA-N 289.419 4.535 30 10 CJEE C=C(C)CCN1CC[C@H](c2ccc(Cl)cc2)C1(C)C 1644613621 YJUXSQHKMRZHBC-MRXNPFEDSA-N 277.839 4.874 30 10 CJEE CCCCCCCCCN1CCC[C@@H]1CSC 1644939014 DICGNABDFHNJRH-OAHLLOKOSA-N 257.487 4.564 30 10 CJEE C=C(C)[C@H](CO)S[C@@H](C)c1ccc(Cl)c(Cl)c1 1651831974 XLVPLLDKKCEOQO-ZANVPECISA-N 291.243 4.725 30 10 CJEE C=CC[C@H]1CCN1[C@H](C)c1cc(Cl)ccc1Cl 1655022664 DHQUDADIXQYQFE-PWSUYJOCSA-N 270.203 4.705 30 10 CJEE C=CC[C@@H]1CC[C@H](NCC[C@@H]2C[C@H]2Cc2ccccc2)C1 1657082067 LWNVTLXKPKYNEN-AFYVEPGGSA-N 283.459 4.590 30 10 CJEE C=CCCCC[C@@H](C)NCC(F)(F)c1ccccc1C 1659739917 XDGFLUHANLKKBB-OAHLLOKOSA-N 281.390 4.811 30 10 CJEE C=C(C)c1cccc(NC(=O)Nc2cc(C)ccc2C)c1 1673600377 FSVGMUMRVASZJH-UHFFFAOYSA-N 280.371 4.981 30 10 CJEE C=C(C)c1cccc(NC(=O)NC2CC(C(C)(C)C)C2)c1 1674978627 BHZPNNZXTWLPSP-UHFFFAOYSA-N 286.419 4.666 30 10 CJEE C=CCC1(NC(=O)N[C@@H](C)CCC=C(C)C)CCCCC1 1681274369 AFYRDQXSTPCUAF-INIZCTEOSA-N 292.467 4.700 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](C)[C@H]1CCC 1683260661 IOEKBECLIWRGFZ-HZPDHXFCSA-N 294.483 4.589 30 10 CJEE N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl 1848368348 IEIVCKMLGRAMHB-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](C)OC(C)(C)C 1876970800 XORAOIKMZGNXOC-HZPDHXFCSA-N 271.489 4.919 30 10 CJEE C[C@@H](Nc1cc(Cl)ccc1C#N)C(C)(C)C(F)(F)F 1878355570 CPMJRSCEXCISHZ-MRVPVSSYSA-N 290.716 4.601 30 10 CJEE C#C[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CCC1 1878557636 BCNCQMJMYDEEFN-JKSUJKDBSA-N 296.241 4.836 30 10 CJEE 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290.476 4.597 30 10 CJEE CCCCCCCCCO[C@@H]1CNC2(CCCCC2)C1 2155267523 YCECNRJCPGOANZ-KRWDZBQOSA-N 281.484 4.818 30 10 CJEE C[C@@H]1CCO[C@@H]1CCC1(C#N)CCC(C(C)(C)C)CC1 2157347944 BIRJOADHECWBFC-JBCIKUTRSA-N 277.452 4.938 30 10 CJEE CC1CCC([C@H](C)NC[C@@H](C#N)C2CCCCC2)CC1 2158447324 MMZPTGMIJGXBGB-VLWBHCEFSA-N 276.468 4.511 30 10 CJEE C=CCOc1ccccc1C(=O)C[C@@H](CC)CC(F)F 2163967480 RCQGIKUBWBLSIV-GFCCVEGCSA-N 282.330 4.506 30 10 CJEE CCCCCCC[C@@H](NC)c1cnc(N(CC)CC)s1 2164074565 BGNYUJVMKPQKTO-CQSZACIVSA-N 297.512 4.610 30 10 CJEE C=CCCCCC[C@H](NCCC)c1nccn1C(C)C 2164221924 JADTXHJQTRAUOW-INIZCTEOSA-N 277.456 4.641 30 10 CJEE C=C(CN[C@H]1CCC(F)(F)CC1(C)C)c1ccccc1 2164945990 ASZPLAYHFBLJTE-HNNXBMFYSA-N 279.374 4.503 30 10 CJEE C=CC1(C[C@](C)(N)C23CC4CC(CC(C4)C2)C3)CCC1 2168029986 BMCOBMKJMMFYJZ-WCWCZOKXSA-N 273.464 4.667 30 10 CJEE C[C@@H](CC(C)(C)C)N(C)C[C@@]1(C=O)CCCC(C)(C)C1 2168534404 ATDWEBBHMVAQBB-MAUKXSAKSA-N 281.484 4.528 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@H](O)CCC2CCCCC2)C1 2168541189 PHTJREXOPQOSMM-FUHWJXTLSA-N 277.452 4.818 30 10 CJEE CC1(C)CCC[C@](C#N)(c2nccc3ccccc23)C1 2168547841 KGZJCZAAFRYEMA-SFHVURJKSA-N 264.372 4.596 30 10 CJEE C[C@H](NC[C@H](C#N)C1CCCC1)[C@@H]1CCCC(C)(C)C1 2168616025 BIRIAQFLUAKORW-UAGQMJEPSA-N 276.468 4.511 30 10 CJEE CCCCCCC[C@](C)(CN)N(CCC)C1CCCC1 2170059570 VGUXNMNIWCVGPZ-GOSISDBHSA-N 282.516 4.719 30 10 CJEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)c(F)c1 2173291164 WNJXHTJZPXWKFC-QMTHXVAHSA-N 289.316 4.707 30 10 CJEE CC1(C)CCCC[C@]1(C#N)[C@H](O)CCC1CCCCC1 2173633251 HKMNSELCAWGXJB-AEFFLSMTSA-N 277.452 4.818 30 10 CJEE CC(C)[C@@H]1CCC[C@H]1CN=C1N[C@@H](CC(C)(C)C)CS1 2176546184 ROJDZHDBKVQBNX-KKUMJFAQSA-N 296.524 4.556 30 10 CJEE CCCc1ccccc1CC1(C=O)CCC2(CC1)CC2 2176575101 FTFCYOOIKZNFFO-UHFFFAOYSA-N 270.416 4.721 30 10 CJEE CNCC1(CC#CC2CCCCC2)CCC2(CC2)CC1 2176621902 RCRMYGAKQUXKGL-UHFFFAOYSA-N 273.464 4.520 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](C=C1CCCC1)NC 2177020782 CNMVGLBYHGBIMN-MSOLQXFVSA-N 281.484 4.576 30 10 CJEE C=CCCCC[C@@H](O)c1cc(Cl)c(OCC)c(OC)c1 2179704048 PVCRMYDQUVRNQJ-CQSZACIVSA-N 298.810 4.527 30 10 CJEE CCCCCCC[C@H](N)c1cc(C(F)(F)F)cc(C)n1 2181615949 VUQRBXNHZFNRFM-ZDUSSCGKSA-N 288.357 4.769 30 10 CJEE COCC1(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)CCCC1 2181663148 QLPYAMLPDZGJHF-OAHLLOKOSA-N 278.436 4.535 30 10 CJEE CC1(C)CCC[C@@](C#N)([C@@]2(O)CCCCCC23CC3)C1 2182366458 SWCPGDGXCXCHMG-QZTJIDSGSA-N 275.436 4.572 30 10 CJEE CC[C@@H]1CC=C(C(=O)c2cccc(C(C)(F)F)n2)CC1 2185866121 MLSCSBKKYDOUOP-LLVKDONJSA-N 279.330 4.513 30 10 CJEE C=C(C)CN(c1cccc(Cl)c1CNCCC)C(C)C 2186472530 OSUSMSGIRGIGBZ-UHFFFAOYSA-N 294.870 4.631 30 10 CJEE CCCCCCC[C@H](NCCC)[C@H]1CCCOC1(C)C 2187037392 REGLUZKFBKRYAH-SJORKVTESA-N 283.500 4.920 30 10 CJEE CCCN[C@@H]1CC[C@H](CCC)C[C@@H]1CC#C[Si](C)(C)C 2187480034 HCWLHNCZPJSMAU-OKZBNKHCSA-N 293.571 4.842 30 10 CJEE C=CC[C@H](CNCC(C)C)C1CC(c2ccccc2)C1 2191360990 FHIJFMKQEKTGLI-LMDPOFIKSA-N 271.448 4.618 30 10 CJEE C[C@@H](CC[C@@]1(C#N)CCCc2ccccc21)C(F)(F)F 2191494795 BFWGSHHGBXGHMV-SWLSCSKDSA-N 281.321 4.763 30 10 CJEE CCc1ccc(C#N)c(N[C@]2(C)CCCC(C)(C)C2)c1 2192739824 YZMJAKUVQKBNSJ-GOSISDBHSA-N 270.420 4.891 30 10 CJEE CC1(C)CCC[C@](C)(N[C@H](CC#N)c2ccccc2)C1 2192743399 JODQMPIZCCJVPN-AEFFLSMTSA-N 270.420 4.590 30 10 CJEE CC(C)(C)C1CCC(C#N)(C[C@]2(C)CCCOC2)CC1 2192850527 XMZGIBPCODGQID-NXYGQSRBSA-N 277.452 4.939 30 10 CJEE CCCCCCCCCCN(C)C[C@@]12CC[C@@H](CO1)C2 2195669923 JKBFWKYXAUSUTJ-MSOLQXFVSA-N 281.484 4.628 30 10 CJEE CCCCCCCCCCN1CCCC[C@H](N(C)C)C1 2195681410 HBXUAJLJSPPHGF-SFHVURJKSA-N 282.516 4.543 30 10 CJEE CC#CCCCC[C@@H](NC)c1ccc(C(C)(F)F)cc1 2196172306 ROQCYVIVSIKVIN-MRXNPFEDSA-N 279.374 4.643 30 10 CJEE C=C1CCC(C[C@H](O)c2ccc(OCCC)cc2)CC1 2196502662 DQBFYDONLWOOGS-SFHVURJKSA-N 274.404 4.645 30 10 CJEE CCCCCCCCN(C)C[C@@H](N)CC1CCCCC1 2196739587 TZMOKVXMZGSTDB-SFHVURJKSA-N 282.516 4.576 30 10 CJEE C#CC[C@@H](C[C@@H](NCCC)C1(CC)CCCC1)C1CC1 2196835623 DAJAOFTYWAWREL-ZWKOTPCHSA-N 275.480 4.765 30 10 CJEE C=C(c1ccccc1)[C@H](NC)c1c(F)ccc(Cl)c1F 2197136848 IWVAIEDYOYANMX-INIZCTEOSA-N 293.744 4.592 30 10 CJEE C=C(c1ccccc1)[C@H](NCC)[C@@H]1C(C)=CCC[C@@H]1C 2197152356 ABEMLWAKQWQSLA-IPELMVKDSA-N 269.432 4.670 30 10 CJEE CCCCCCCCCC[C@H](O)[C@@H]1C[C@@]12CCCOC2 2198130126 JTWFBKBZFXPIFZ-OKZBNKHCSA-N 282.468 4.695 30 10 CJEE CC(C)(C#N)CCCCN[C@H]1C[C@@H]1C1CCCCCC1 2200168953 QDNSRCBGXBEQAJ-SJORKVTESA-N 276.468 4.655 30 10 CJEE CC(C)(C)[C@@H]1C[C@H]1C[C@]1(C#N)CCCc2ccccc21 2200486364 CUFUROSYTYMXQZ-WDYCEAGBSA-N 267.416 4.857 30 10 CJEE N#CC1(C[C@H]2C[C@H]2C2CCCC2)Cc2ccccc2C1 2200493645 RDSQSBHDRXTZNK-MSOLQXFVSA-N 265.400 4.512 30 10 CJEE CCCCCCC[C@](C)(N)c1ccc(OC)c(F)c1F 2201643527 ADLKUEKIVAISOM-INIZCTEOSA-N 285.378 4.508 30 10 CJEE CCCCCC#CC[C@@H](NCC)C1(C(F)(F)F)CCC1 2203787432 MWDKJPJQDQSILZ-CQSZACIVSA-N 289.385 4.671 30 10 CJEE CCCCCC#CC[C@H](O)[C@@H]1C[C@H]2CCCCCC[C@H]21 2203793868 XPSAPXDIXOMDOW-MKXGPGLRSA-N 276.464 4.928 30 10 CJEE CCCCCC#CC[C@@H]1C[C@@H](NCC)CC2(CCC2)C1 2203807243 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2207427121 JTFMXLDXNYPQIB-MSOLQXFVSA-N 283.500 4.808 30 10 CJEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1sccc1C 2207428577 YHRDCPXRPIPGGA-JKSUJKDBSA-N 295.492 4.724 30 10 CJEE CCCCCCCC[C@H](CN)N1CCCC[C@@H]1CCC 2207444252 HYIBAYCMMRTATD-ZWKOTPCHSA-N 282.516 4.719 30 10 CJEE C=CCCCCCCCC[C@H](O)[C@H](N)CCC(C)(C)C 2207448748 NEUHYWVKLVKJDK-SJORKVTESA-N 283.500 4.808 30 10 CJEE CCCCCCCCNCCC1(CCO)CCCCC1 2208232609 WJCZOXBHRKEAGL-UHFFFAOYSA-N 283.500 4.660 30 10 CJEE N#Cc1cc(Br)cc(SCCCC2CC2)c1 2211097289 RUHWKIZLDMNXJN-UHFFFAOYSA-N 296.233 4.603 30 10 CJEE O=C(C=C1CCCC1)Cc1cc(Cl)ccc1Cl 2213519752 JHDWFURTWIAWOX-UHFFFAOYSA-N 269.171 4.605 30 10 CJEE CCCCCCCOCCCCCN[C@H](C)CC 2222593274 FUKFJNVQARJABY-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@](C)(O)C[C@@H]1C[C@@H]1C1CC1 2223836722 DHBYGZJNEGSVGX-BBWFWOEESA-N 252.442 4.924 30 10 CJEE CC[C@](C=O)(CCC1CC(OC(C)(C)C)C1)C(C)C 2224737957 GPLKHBBQRHNOSK-VMBOVVBDSA-N 268.441 4.612 30 10 CJEE C=CCCCC[C@H](NCC)[C@H]1C[C@H]2CCC[C@H](C2)C1 2225318679 QHPWFHPLHMLGQO-MHORFTMASA-N 263.469 4.927 30 10 CJEE C=CCN(C[C@@H]1C[C@H]2CCC[C@H](C2)C1)C1CCCC1 2225361781 VMGLKMTUAKLLTR-FVQHAEBGSA-N 261.453 4.633 30 10 CJEE CN(CCCCCCC1CC1)C1(C#N)CCCCC1 2225783019 NHZKUJQLJDGRAT-UHFFFAOYSA-N 262.441 4.505 30 10 CJEE C=CCCCCCCC[C@@H](N)C1(OCC)CCCC1 2227272419 NBFFBWTUBRHVIC-MRXNPFEDSA-N 267.457 4.580 30 10 CJEE C=CCCCCCCCN1CCCSC[C@@H]1C1CC1 2227283732 OOCGTXXANDAPSG-QGZVFWFLSA-N 281.509 4.731 30 10 CJEE C=CCCCCCCCNc1cc(F)cc(OC)c1 2227290014 CRAQTZFBPARJRP-UHFFFAOYSA-N 265.372 4.773 30 10 CJEE C#Cc1cccc(N[C@H](C)c2cc(F)cc(Cl)c2)c1 2229678876 AYCLRCYJQYDDHH-LLVKDONJSA-N 273.738 4.634 30 10 CJEE CCCCCCCCCO[C@H]1C[C@@H](NCC)C1(C)C 2231015140 IEPRGOZTIVQAAO-CVEARBPZSA-N 269.473 4.530 30 10 CJEE CCCCCCCCC[C@@](C)(CNC1CCC1)OC 2231486753 MNJBZPAIRRBCMR-KRWDZBQOSA-N 269.473 4.674 30 10 CJEE C=C[C@](C)(CNC1CCC1)CC1CCC(C)(C)CC1 2231554798 IVYGHNFAHMFLRR-SFHVURJKSA-N 263.469 4.927 30 10 CJEE CCCCCCCC[C@@H](C)NCc1ccc(C)nc1 2231947294 XIFMIZVKENBBAM-OAHLLOKOSA-N 262.441 4.619 30 10 CJEE C=C[C@H](C)C[C@H](C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F)NC 2233672299 URTJCEJFCJPCAC-RFBLXINOSA-N 285.422 4.638 30 10 CJEE C=CCCCCCCCCOC[C@@H]1CC[C@@H](CNC)C1 2234060608 ZLVDECDJHJAMMO-QZTJIDSGSA-N 281.484 4.555 30 10 CJEE CN(CCCCCCC1CC1)[C@H]1CCCCC[C@H]1C#N 2234087250 NBMNAKPPJHNNJQ-ROUUACIJSA-N 276.468 4.751 30 10 CJEE CC[C@@](C)(CCCC(C)C)Oc1ccc(N)cc1C#N 2234435705 GBHVOGNLLHDUOQ-KRWDZBQOSA-N 274.408 4.514 30 10 CJEE C=CCCCCCCC[C@@H](CC[C@@H]1CCCO1)NCC 2235524741 STVRFMXHVDVJDX-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC1(N)CC2(C[C@H]2C(F)(F)F)C1 2235524864 UXGUXDLHCYEUQP-WLYUNCDWSA-N 289.385 4.963 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@H](O)c1cc(C)cs1 2235525310 ZFNCVZKDDIPYRK-RDJZCZTQSA-N 295.492 4.595 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@]1(O)CCC[C@@H](C)CC1 2235533063 QOCGYSDEHPGTSP-FGTMMUONSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCC[C@@H](NN)[C@H](SC)C1CC1 2236675104 AVPAIIMHCXZBCJ-IAGOWNOFSA-N 298.540 4.657 30 10 CJEE CCCCCCCCCO[C@H](c1ccco1)[C@@H](N)CC 2239487999 WBBJMAMGSUVIAS-RDJZCZTQSA-N 281.440 4.825 30 10 CJEE CCCCCCCCCCOC[C@@H](N)[C@@]1(C)CC1(F)F 2239493780 WTTHAIGKZJKIOK-HUUCEWRRSA-N 291.426 4.516 30 10 CJEE C=C[C@@H](OCCCCCCCCCCCC)C(=O)OC 2239494085 ZPQQYVNDWIULOX-MRXNPFEDSA-N 284.440 4.652 30 10 CJEE CCCCCCCCCO[C@@](C)(C(=O)O)[C@H]1CC1(C)C 2239516683 XWFTZOJEBZBYTG-WMLDXEAASA-N 284.440 4.643 30 10 CJEE CCCC[C@@H](C)[C@@H](C#Cc1ccc(Cl)cc1)NCCC 2239568650 LSLSKQZNVPSJQX-CRAIPNDOSA-N 291.866 4.886 30 10 CJEE CCCCCCCC[C@](C)(O)[C@@H](NCC)[C@@H](C)CCC 2240640600 RTSOUGNZHVNQJT-BZSNNMDCSA-N 285.516 4.902 30 10 CJEE CCCCCCCC[C@H](C)N(C)[C@@H](C(=O)O)[C@H](C)CC 2240641601 CHOXTBHSRMLRAB-OWCLPIDISA-N 285.472 4.557 30 10 CJEE CCCCCCCC[C@@](C)(O)[C@@H](CCC(C)(C)C)NC 2240642480 NCRQZUXIOBRENS-SJLPKXTDSA-N 285.516 4.902 30 10 CJEE CCC[C@@H](C)[C@@H](C#N)c1ccc(Br)c(F)c1 2244566026 GUWWNOXBOAYRFF-MWLCHTKSSA-N 284.172 4.632 30 10 CJEE C=CCCCCCCCS[C@@H]1CCCC[C@@H]1O 2250035644 BVQZKJMPZHDWAQ-LSDHHAIUSA-N 256.455 4.550 30 10 CJEE 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10 CJEE Cc1cccc(N[C@]2(C#N)C[C@@H](C)CC[C@H]2C(C)C)c1 251074840 ROEQRPHKFFVJQE-SZMVWBNQSA-N 270.420 4.762 30 10 CJEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)C(C)C)C1 252408935 JMYHKSLFDFEOGB-VQHPVUNQSA-N 278.484 4.707 30 10 CJEE CC(=NOC(=O)c1ccc(-c2ccccc2)cc1)C(C)(C)C 252461974 OUTDSUCTRCQKCW-UHFFFAOYSA-N 295.382 4.932 30 10 CJEE Cc1c(-c2ccccc2-c2ccccc2)ccc(N)c1C#N 253479987 UGIBGHPWQWJINW-UHFFFAOYSA-N 284.362 4.783 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](C)CSC 302345951 FMQFLNFLJBGUAT-LSDHHAIUSA-N 259.503 4.714 30 10 CJEE CC(C)C(C(C)C)[C@@H](C#N)Nc1cccc(Cl)c1 306105179 RWZGGVGKMMJBON-CQSZACIVSA-N 264.800 4.572 30 10 CJEE C=C(CC)C[C@@H](N)c1ccccc1OCc1ccccc1 310017404 OWTTYPFSHXTEBK-GOSISDBHSA-N 281.399 4.622 30 10 CJEE CC[C@@H]1CCCC[C@@H]1[C@]1(C#N)CCc2ccccc21 311372885 JQIWIKJUSOUDSK-UWWQBHOKSA-N 253.389 4.611 30 10 CJEE CCCC[C@H](C)C(=O)[C@H](C#N)c1ccc(C(C)C)cc1 312279597 PAXKZMHFVFZFKS-WMLDXEAASA-N 271.404 4.813 30 10 CJEE N#CC1([C@H](O)c2ccsc2Cl)CCCCCCC1 312691026 BXOGNFDYKDWWKY-GFCCVEGCSA-N 283.824 4.689 30 10 CJEE C[C@H]1CCC[C@](C=O)(Cc2cccc3ccccc23)C1 316680876 FHNVKEDHTKMGGV-HNAYVOBHSA-N 266.384 4.778 30 10 CJEE CO[C@@H](CC1(C=O)CCC(C)(C)CC1)c1ccccc1 317258000 PTQQZGYSKWICBY-INIZCTEOSA-N 274.404 4.550 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCCC(F)(F)C2)C1 317330803 QEDRSENONHZTBR-RBSFLKMASA-N 272.379 4.988 30 10 CJEE C=CCCC[C@]1(CNC(C)(C)C)CCCC[C@@H]1C 318657725 BRYXLDNEKRJWLG-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE CCO[C@@H]1C[C@H](C2(C#N)CCCCCCC2)C1(C)C 328425527 TZKCTEVIJHLLLI-LSDHHAIUSA-N 263.425 4.692 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(SCC)cc1 379871738 FAGIHFXCPYTQMU-QGZVFWFLSA-N 289.488 4.889 30 10 CJEE CCCCCCC[C@H]1[C@@H](C(C)C)C(=O)N1[Si](C)(C)C 385210073 PLTAZDALELRBAI-LSDHHAIUSA-N 283.532 4.665 30 10 CJEE C=C(C)CCN[C@H](C)c1ccc(OCc2ccccc2)cc1 386660176 DJFHENBTMJMDAM-QGZVFWFLSA-N 295.426 4.882 30 10 CJEE C=C(COCCC)[C@@H](NCCC)c1cc(C)cc(Cl)c1 387406876 BUCVENKWNQEKIN-QGZVFWFLSA-N 295.854 4.672 30 10 CJEE N#CC1(Cc2ccsc2Br)CCCCC1 389065598 YSXWEHYYXUXMMP-UHFFFAOYSA-N 284.222 4.527 30 10 CJEE N#CCc1cc2cc(C(F)F)cc(Cl)c2s1 396196574 XUFWNJQAEQQLCG-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE CCCCCCCCCCCCN[C@H](COC)C1CC1 397334924 BCINNMSXHVUGLM-GOSISDBHSA-N 283.500 4.922 30 10 CJEE C[C@H](c1ccccc1Cl)N(C)C[C@@H](C#N)C(C)(C)C 397496484 QPGPRKUYFYCDMM-CHWSQXEVSA-N 278.827 4.519 30 10 CJEE C=CCCC[C@H](C)N[C@H]1CCCOc2c(C)cccc21 398063353 IHTZJCJIOQDVAQ-RDJZCZTQSA-N 273.420 4.543 30 10 CJEE C=CCCC[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 398087488 VTHRBOYJZNZBDH-QWHCGFSZSA-N 283.362 4.683 30 10 CJEE C=C(CC)C[C@H](NCC(C)C)[C@@H](C)c1ccccc1 405624304 UFDZGDYXDAQIGW-WMZOPIPTSA-N 259.437 4.761 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 425115868 IRUBQLDEYLGNRJ-DOTOQJQBSA-N 285.431 4.589 30 10 CJEE C[C@H](SCCc1ccccc1)c1ccc(C#N)cc1 609826067 NFBBGWNKLQHZTE-AWEZNQCLSA-N 267.397 4.595 30 10 CJEE C#CCCCCC[C@H](NCCC)C(C)(C)C(F)(F)F 686697772 RFYKKKYANFJRIA-ZDUSSCGKSA-N 277.374 4.527 30 10 CJEE C#CCCCCC[C@@H](NCCC)c1cc(C)oc1C 686701005 DQFOEUSZGDCIAJ-QGZVFWFLSA-N 261.409 4.521 30 10 CJEE C=CCC1(Nc2nsc3ccccc23)CCCC1 690779984 FYMWAECLKXTAMC-UHFFFAOYSA-N 258.390 4.597 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)(c2cc(C(C)(C)C)ccn2)C1 699600688 RNOYAMMKYBULRM-RDTXWAMCSA-N 270.420 4.741 30 10 CJEE N#Cc1ccc(COc2cc(F)cc(Cl)c2)c(Cl)c1 703714212 PCINNOIOFQFQJR-UHFFFAOYSA-N 296.128 4.583 30 10 CJEE CCCCCCCNCc1c[nH]c2cc(Cl)ccc12 703781937 DMECLLRJBUDOFM-UHFFFAOYSA-N 278.827 4.881 30 10 CJEE C[C@@H]1CCCC[C@H]1[C@]1(C#N)CCCc2ccccc21 704988482 WDTBHCRWNMCEKV-QGPMSJSTSA-N 253.389 4.611 30 10 CJEE CCCCCCCC[C@@H](O)C[C@H](C)C(F)(F)F 705484084 IZNMJQUBTGYRTR-NWDGAFQWSA-N 254.336 4.686 30 10 CJEE N#Cc1ccc(NC2CCC(C3CCC3)CC2)c(Cl)c1 710163930 KOBPBWYOVAUXDB-UHFFFAOYSA-N 288.822 4.982 30 10 CJEE C=C(Cl)C[C@H](CSc1cccc(Cl)c1)NCC 710555387 DPNOSAMTNFFCBH-GFCCVEGCSA-N 290.259 4.553 30 10 CJEE CCCCCCCCC[C@H](NC)[C@@H](C)[C@@H]1CCCCO1 711877598 YNELRPQRLCRZHR-SQNIBIBYSA-N 283.500 4.920 30 10 CJEE C[C@@H]1CCC[C@@H]1C/N=C1/NC2(CCCCCCC2)CS1 713202619 KJNVJYXIPLBKQS-HUUCEWRRSA-N 294.508 4.598 30 10 CJEE C=CC[C@@H](C)[C@@H](NCCC)c1ccccc1Cl 715010286 MZPADYQMSHMBJC-IUODEOHRSA-N 251.801 4.593 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1csc(C(F)(F)F)c1 718685563 DEGKPXXALYJVDB-BXKDBHETSA-N 277.355 4.630 30 10 CJEE CC(C)C(C)(C)CS[C@@H]1CCCCC[C@@H]1C#N 718828894 ZOFHBOKUEYERRZ-ZIAGYGMSSA-N 253.455 4.874 30 10 CJEE CC(C)CCCCC[C@@]1(C#N)C[C@H](C)O[C@H](C)C1 724229683 FPZUOKWFUHSRCH-ZSHCYNCHSA-N 251.414 4.690 30 10 CJEE C=C1CCC(C[C@@]2(CNCC)C[C@H]3CC[C@H]2C3)CC1 724553808 OEUXQYVYIUFODU-BZSNNMDCSA-N 261.453 4.539 30 10 CJEE C=C1CCC(C[C@@H](NC)c2cc(C)cc(F)c2)CC1 724590627 YQMVUPYJHPSORF-QGZVFWFLSA-N 261.384 4.531 30 10 CJEE Cc1ccccc1N=C1N[C@@H](C2CCCCC2)CCS1 725090013 UJHXXRAATRCARE-MRXNPFEDSA-N 288.460 4.658 30 10 CJEE CCOc1ccc(C#Cc2cc(Cl)ccc2Cl)cc1 725442823 DAORMQYPGANMRK-UHFFFAOYSA-N 291.177 4.792 30 10 CJEE C=C(C)CCOc1ccc(C2SCCS2)cc1 775116456 CMWLSDFRENCDGE-UHFFFAOYSA-N 266.431 4.510 30 10 CJEE C=CCCC[C@@H](NCc1cnc(C)s1)c1ccccc1 880387824 FERRQLOBOWIEMO-QGZVFWFLSA-N 286.444 4.639 30 10 CJEE C=C[C@H](CC)CC(=O)N1CCC[C@@H]1c1ccccc1Cl 1141946707 BKUYAQVUDNYIDH-CZUORRHYSA-N 291.822 4.606 30 10 CJEE C#CCCCCCCN[C@@H](C)c1ccccc1OC(C)C 1168687051 XKXDTWNMOTYDJL-KRWDZBQOSA-N 287.447 4.708 30 10 CJEE C=CCCC[C@@H](C)NCc1cc2ccccc2cc1OC 1178305504 ZHELKNKAJHSAIZ-OAHLLOKOSA-N 283.415 4.683 30 10 CJEE C=CCCC1(CNc2ncnc3c(F)cccc23)CCCC1 1187013586 IBPUWUUHSBLVER-UHFFFAOYSA-N 299.393 4.707 30 10 CJEE C=CCC[C@H](CCC)NC[C@@H](CC)CC(F)(F)F 1206313129 FZPQITJTADFACG-STQMWFEESA-N 265.363 4.690 30 10 CJEE C#Cc1ccc(NC[C@@H](C)c2ccc(C)cc2)c(Cl)c1 1207705088 WSKYBPDSNNHIIJ-CQSZACIVSA-N 283.802 4.845 30 10 CJEE CCCCCCCCC[C@@H](C)NCc1conc1C 1258229928 QPJGZSNCCDGTDR-CQSZACIVSA-N 266.429 4.602 30 10 CJEE CCCCCCCCC[C@H](C)N[C@H]1CCOC[C@H]1C 1258231155 JCRAKJGVTNUGAQ-IKGGRYGDSA-N 269.473 4.530 30 10 CJEE C=CCC[C@H](C)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 1308723422 MGQOAAUVZRENTR-NOLJZWGESA-N 297.364 4.896 30 10 CJEE C=CCCCCCCNC(=O)N1CCC[C@](C)(CCC)C1 1312664625 DJVPKVYXKLSIPD-SFHVURJKSA-N 294.483 4.735 30 10 CJEE C=C(C)CCC(=O)Nc1ccc(C)c(Cl)c1Cl 1435746309 KXFVAXILTCKFGB-UHFFFAOYSA-N 272.175 4.597 30 10 CJEE C=CC[C@H](CC)NC(=O)C/C=C\c1ccc(C(C)C)cc1 1459619315 PQZHRXYZRYJNEJ-CNRGFGOASA-N 285.431 4.684 30 10 CJEE N#CC1(CNCc2c(Cl)cccc2Cl)CCCCC1 1474211915 CKWBIRXBBGLDIE-UHFFFAOYSA-N 297.229 4.557 30 10 CJEE C=CCC1(C(=O)N[C@@H]2CCC[C@H](C)CC2)CCCCC1 1516778738 GBURQMQZNPYPCA-JKSUJKDBSA-N 277.452 4.598 30 10 CJEE C=CCC(CC=C)C(=O)N1CC(CC)(CC)c2ccccc21 1520097812 BTPDRAFECHDVNP-UHFFFAOYSA-N 297.442 4.859 30 10 CJEE C=C[C@](C)(CC)C(=O)NCc1ccc(C(C)(C)CC)cc1 1520149924 DKHBWLDHBLUOQP-LJQANCHMSA-N 287.447 4.593 30 10 CJEE C=CCCc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C 1524348746 ULDCSIVKECKDBT-GOEBONIOSA-N 271.404 4.570 30 10 CJEE C=CCC1(NC(=O)[C@H]2CC[C@H](CC)CC2)CCCCC1 1526049382 PFEHJBYMSBQZQI-WKILWMFISA-N 277.452 4.598 30 10 CJEE C=CCC(C)(C)CNC(=O)CC(C)(C)C1CCCCC1 1544423087 QAORDMUSOPVTOB-UHFFFAOYSA-N 279.468 4.702 30 10 CJEE C=C(CC(C)C)C(=O)N1CCC[C@]1(C)Cc1cccc(C)c1 1557765304 HSLHWFWGFPXDLD-HXUWFJFHSA-N 299.458 4.521 30 10 CJEE C=CCN(Cc1c(C)cc(C#N)cc1C)CC1CCCCC1 1559538111 PPAZRALPNATCOL-UHFFFAOYSA-N 296.458 4.743 30 10 CJEE C=C(C)CN[C@H](c1oc2ccccc2c1C)C(C)C 1559701807 DGBWFUURQMBFCQ-INIZCTEOSA-N 257.377 4.604 30 10 CJEE C=CCCC[C@@H](C)NCc1cnc(-c2ccsc2)s1 1560414685 HRKHSNJCJAFMLR-GFCCVEGCSA-N 292.473 4.706 30 10 CJEE C=C1CCC(CNCc2ccc(OC)c3ccccc23)CC1 1560582311 BBZCWAFWWJQNKD-UHFFFAOYSA-N 295.426 4.684 30 10 CJEE C=CCC1(NCc2cncc3ccccc23)CCCCC1 1560832518 FSHLJQSGNIAOKM-UHFFFAOYSA-N 280.415 4.603 30 10 CJEE C=CC[C@H]1CC[C@H](N[C@H](C)c2ccc(Cl)cc2)C1 1560876839 CBFNZNUMKQMTLC-WWGRRREGSA-N 263.812 4.735 30 10 CJEE C=CCCCC[C@H](C)NCC(F)(F)c1ccc(F)cc1 1560947564 BEFYMXSUCBEZTP-ZDUSSCGKSA-N 285.353 4.642 30 10 CJEE C#Cc1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c(Cl)c1 1561031035 CUECAYAWLZCOBR-ZFHCCXERSA-N 285.818 4.558 30 10 CJEE Cc1cc(C#N)ccc1CN1CCCC2(CCCCCC2)C1 1615727683 CRMZWSJSMJFTPF-UHFFFAOYSA-N 296.458 4.803 30 10 CJEE C#Cc1ccc(NCc2cccc(OC3CCCC3)c2)cc1 1621098642 VLZGHJKXQXALKZ-UHFFFAOYSA-N 291.394 4.601 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)CCc1ccc(F)cc1 1621434236 ORIJQPKIUMXUEX-SZVBFZGTSA-N 289.438 4.871 30 10 CJEE C=CCn1ncc2ccc(NCCC3CCCCC3)cc21 1621546296 XEICPKQPPIQCHY-UHFFFAOYSA-N 283.419 4.605 30 10 CJEE C=CCCCCCCNC(=O)N[C@@H](CC)c1ccccc1 1635113945 NMIDYSXCSOMFRH-KRWDZBQOSA-N 288.435 4.573 30 10 CJEE CC#CCS[C@H](C)c1ccc(Cl)c(Cl)c1 1651832012 YHBCHHDOWWJJDW-SECBINFHSA-N 259.201 4.811 30 10 CJEE C=CCC1(CN[C@H](C)CCc2ccsc2)CCCC1 1652462597 GQCZKTMYBUIPCY-OAHLLOKOSA-N 277.477 4.795 30 10 CJEE C#CCCCCCCSc1cccc(Cl)c1C#N 1652746732 BBNICSQJSMYKQD-UHFFFAOYSA-N 277.820 4.887 30 10 CJEE C=CC[C@H]1CCN1C(=O)CC1CCC(c2ccccc2)CC1 1653340621 IVLMALGUSOWASZ-KVZIAJEVSA-N 297.442 4.528 30 10 CJEE C=CCCCCN1CC2(CCCC2)[C@H]1c1ccccc1 1654656235 DBJZCOFDJVIXIE-GOSISDBHSA-N 269.432 4.960 30 10 CJEE C=CCC1(CNCc2ccc(C(F)F)cc2)CCCC1 1657359883 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284.230 4.612 30 10 CJEE C=C(C)CCCC[C@H](CCCC(F)(F)F)NCC 2259210141 FVILUBAFKOJVLJ-CYBMUJFWSA-N 265.363 4.834 30 10 CJEE SCC1(CO[C@@H]2CCCC23CCC3)CCCCC1 2259428691 JNRHIXCQTLROIS-CQSZACIVSA-N 268.466 4.606 30 10 CJEE N[C@@H](CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2261115657 ITKBBXQMXWRYAE-HNNXBMFYSA-N 282.214 4.577 30 10 CJEE C=C(C)CCCC[C@H](N)C1CC(CC(C)(C)C)C1 2261205762 QASWMXYXJSVBEK-GPANFISMSA-N 251.458 4.913 30 10 CJEE C=CCCCC[C@H]1[C@H](NC)C(C)(C)CCC1(C)C 2261429390 YEUUKPZMTALMKB-GJZGRUSLSA-N 251.458 4.783 30 10 CJEE C=CCCCC[C@@H](OCCCN)c1csc(Cl)c1 2262602131 BMMLDMZVQGBRDN-CYBMUJFWSA-N 287.856 4.554 30 10 CJEE CCCCCCCCC[C@@H](C)[C@@H](F)C(=O)OCC 2263660862 KDGOUIQWJMFZFG-ZIAGYGMSSA-N 260.393 4.664 30 10 CJEE C=C(C(F)(F)F)[C@](C)(N)CCCCCCCCC 2263668089 AAHRWCHYQNMHQA-CYBMUJFWSA-N 265.363 4.963 30 10 CJEE C=CC[C@H](CCC12CC3CC(CC(C3)C1)C2)NCC 2265126964 CHVKHONFWRFCRL-AWDGRILASA-N 261.453 4.537 30 10 CJEE N#Cc1cc(F)cc(SC[C@H]2CCCCC2(F)F)c1 2267996509 NCKDWFMJJYYBMF-LLVKDONJSA-N 285.334 4.615 30 10 CJEE CC(C)(C)C#CC=CC[C@@H](N)C1(C)CCCCCC1 2268747401 JAJCSHGZGKJDNC-MRXNPFEDSA-N 261.453 4.670 30 10 CJEE CCCCCCC[C@@H](N)Cc1cc(OC)ccc1Cl 2268981087 UFEPBBZOFSZUHS-CQSZACIVSA-N 283.843 4.579 30 10 CJEE C=C(C)CCCC[C@H](NN)c1cccc2ccsc12 2271834516 GHJCRLDIHVBCHQ-HNNXBMFYSA-N 274.433 4.542 30 10 CJEE C=CCCCCCC[S@@](=N)(=O)C1CC2(CC(C)C2)C1 2273299643 ASQBUBWPILAYTO-ZEPBGEJQSA-N 283.481 4.748 30 10 CJEE N#Cc1ccc(Cl)cc1NC[C@@]12CCCC[C@H]1CC2 2273379634 LTSQFDRULTUVLO-BBRMVZONSA-N 274.795 4.594 30 10 CJEE O=C(C#CC1CCCCC1)Cc1cccc(Cl)c1Cl 2273908240 VALVZUNBTRCATD-UHFFFAOYSA-N 295.209 4.689 30 10 CJEE CC(C)[C@H]1CCC[C@@](N)(CC#CC2CCCC2)CC1 2274164451 KNFBCJRBPKHCSV-ROUUACIJSA-N 261.453 4.504 30 10 CJEE C=C(C)CCCC[C@H](CCCCCC)OCCCN 2276159777 WMWHCVGSVFHVBH-KRWDZBQOSA-N 269.473 4.827 30 10 CJEE CCCCCCCC[C@H](C=C1CCC1)OCCCN 2276198818 UXUSTXYSQCHVAQ-QGZVFWFLSA-N 267.457 4.581 30 10 CJEE CCCCCCCC[C@H](CCC1CCC1)OCCN 2277041717 KAHLNIXJKQIMEH-QGZVFWFLSA-N 269.473 4.661 30 10 CJEE CCCCCCCC[C@](C)(C[C@@H](C)CC)OCCN 2277116395 PWKPEMDQORTKDA-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCCC[C@@](C)(O)C(=O)C[C@@H](C)CC 2278174259 UEKDWJCXSBCYBA-DOTOQJQBSA-N 270.457 4.883 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)[C@@H](O)CC 2278233996 GJQUWKFRXOCLMF-ULQDDVLXSA-N 271.489 4.655 30 10 CJEE CCCC[C@@H](CC)CSCC[C@@](C)(C#N)NC(C)C 2278260756 MAVBHKCLLAKFLJ-CVEARBPZSA-N 284.513 4.606 30 10 CJEE Cc1cc(NC2CC(C3CCCC3)C2)cc(C)c1C#N 2280555190 SXPTXFWNGDPXOZ-UHFFFAOYSA-N 268.404 4.556 30 10 CJEE CCN[C@H](CC=CC#CC(C)(C)C)c1cccc(C)c1 2284092564 NPJWQMUBKWSYJO-GOSISDBHSA-N 269.432 4.641 30 10 CJEE CN[C@@H](CC=CC#CC(C)(C)C)C12CCC(CC1)CC2 2284169486 KUXNIYGOHAOKMF-HFCFLWKCSA-N 273.464 4.541 30 10 CJEE C=CCCCCCCCSc1ncc(C)cc1CCN 2287095659 BNHMCPQGPZKKHQ-UHFFFAOYSA-N 292.492 4.510 30 10 CJEE C=CCCCCCCCS[C@@H]1C[C@@](C)(OC)CC[C@@H]1N 2287192184 KZOCKPJGGHVNFV-BBWFWOEESA-N 299.524 4.531 30 10 CJEE C=C(C)CCCCOc1ccc([C@H](C)NCC)cc1F 2287415008 SFNCFOFBPIVNHX-AWEZNQCLSA-N 279.399 4.621 30 10 CJEE C=C(C)CCCC[C@@H](NCC)c1cccc(OC)c1F 2287465999 NNVMTYISMNYPLT-OAHLLOKOSA-N 279.399 4.621 30 10 CJEE CCN[C@H](CC#CC1CCCCC1)[C@]12CCC[C@H]1CC2 2288942156 SYGRVMYTGVBCAG-OTWHNJEPSA-N 273.464 4.519 30 10 CJEE CN[C@H](CC#CC1CCCC1)C1CCC(C(C)C)CC1 2289925113 RNFGNMORTKWPNA-CTWPCTMYSA-N 275.480 4.621 30 10 CJEE C=CCC[C@H](NCCC)c1ccc2c(c1)CC(C)(C)C2 2290158652 ZJJOZFOCPLFROI-SFHVURJKSA-N 271.448 4.818 30 10 CJEE CCCCCCCC[C@H](C[C@H]1C[C@@H]1C)OCCC(=O)O 2290767257 YDOKSKFDVWUULU-ARFHVFGLSA-N 284.440 4.643 30 10 CJEE C=CCCCC[C@@H](CCC1CCCCC1)OCC(=O)O 2291462886 CJNZMYMXEHWGMW-INIZCTEOSA-N 282.424 4.563 30 10 CJEE CCCCCCC[C@]1(OCCN)CCCC2(CCC2)C1 2293659014 PWKPTUYORPWQDC-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCCCC[C@@H](OCCN)C1CC(C)C1 2293732495 XGCBTCWWGUQBRC-DAWZGUTISA-N 283.500 4.907 30 10 CJEE C=CCCCCCC[C@]1(OCCN)CCC[C@@H]1CCC 2294018690 PXTGRJJNBBGDDQ-ROUUACIJSA-N 281.484 4.827 30 10 CJEE CCCCCCCC[C@@H](OCCN)C1C(C)(C)C1(C)C 2294406322 SRHCEXBKBUZOCT-OAHLLOKOSA-N 283.500 4.763 30 10 CJEE CCCCCCCCCC[C@](C)(OCCN)[C@H]1C[C@@H]1C 2294537424 BXEMHEOGGSFNBE-BZSNNMDCSA-N 283.500 4.907 30 10 CJEE CCCCC=CC(F)(C(F)(F)F)C(F)(F)F 2294787016 SEPVIDCBWMJUEC-UHFFFAOYSA-N 252.173 4.566 30 10 CJEE Cc1cccc(N[C@H](C#N)c2ccc(C(F)(F)F)s2)c1 2294983054 BDZHBDRYSUAYHE-LLVKDONJSA-N 296.317 4.752 30 10 CJEE CC=C(CC)[C@H](NC)[C@](C)(O)CCCCCCCCC 2295679184 NJNIZWOAJZKRGB-ZWKOTPCHSA-N 283.500 4.822 30 10 CJEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccccc1O 2297332245 BPYVYBKYFSXRCH-UHFFFAOYSA-N 293.149 4.595 30 10 CJEE C=CCC(CC=C)N[C@H](C)c1ccc(Br)cc1 2298828443 KWJPEBMSPIQFLZ-GFCCVEGCSA-N 294.236 4.621 30 10 CJEE CC(C)[C@@H](C)[C@H](C)OCC1(CS)CCCCC1 2301675608 UAXNRHAQWGXPHN-KGLIPLIRSA-N 258.471 4.564 30 10 CJEE C=CC[C@H](C)SC[C@H](N)c1ccc(C(C)C)cc1 2313527989 YTLFHUQZSUZPRK-BBRMVZONSA-N 263.450 4.508 30 10 CJEE C=CCC(CC=C)Sc1cc(Cl)nc(C2CC2)n1 2313628917 NFJVLWCDHCUZGS-UHFFFAOYSA-N 280.824 4.620 30 10 CJEE CCCCCCCCC(=O)C#CC1(SC)CCC1 2314705765 ATVJXFKNCZZAIO-UHFFFAOYSA-N 266.450 4.595 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(F)c(C)c1Cl 2316775751 VUWQVBRUQYSUSC-AWEZNQCLSA-N 270.775 4.957 30 10 CJEE C=CCCCCC[C@H](O)c1ccc(C)cc1SC 2319611669 HKEGEXVQLNAANE-HNNXBMFYSA-N 264.434 4.887 30 10 CJEE C=CC[C@](C)(CC)[C@@H](NC)[C@@H]1CCCC(C)(C)C1 2321127003 FWZKHFLKOKOKLQ-VYDXJSESSA-N 251.458 4.783 30 10 CJEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)ccc1OC 2321177962 WVDRBSOEUPVIME-HNNXBMFYSA-N 266.768 4.524 30 10 CJEE C=CCCCCCCC[C@H](NCC)[C@H]1C[C@@H](F)C1 2327225628 FELKVHXFPYHOFF-XHSDSOJGSA-N 255.421 4.629 30 10 CJEE C=C1CC(CN)([C@H](C)c2ccc(Cl)c(C)c2Cl)C1 2327985105 SNNAUFLJJFAZNN-LLVKDONJSA-N 284.230 4.700 30 10 CJEE C=C1CCC(C[C@@H](NC)[C@@H]2C[C@H]2C2CCCC2)CC1 2332700262 KPKBDGNQXMWSLL-RCCFBDPRSA-N 261.453 4.537 30 10 CJEE CC1(C)CCCCCN1CC1(CS)CCCCCC1 2335172567 RUKLBQLXEPZPMN-UHFFFAOYSA-N 283.525 4.911 30 10 CJEE C=CCCCCC[C@H](NC)c1ccncc1C(C)C 2338616276 PXEYTEDEJJNVOZ-KRWDZBQOSA-N 260.425 4.602 30 10 CJEE C=CCC(CC=C)[C@H](NCCC)[C@H]1C[C@@H]1C(C)(C)C 2338738570 NMPQJFKMZRPWDZ-ULQDDVLXSA-N 263.469 4.805 30 10 CJEE CCCCCCC[C@@H](N)c1c(F)cc(OC)cc1Cl 2338760453 MZBRSPQWEQVKMK-CQSZACIVSA-N 287.806 4.848 30 10 CJEE C#Cc1ccccc1N[C@H](CC)c1cccc(Cl)c1 2339904583 IHTACLWBLBEHJR-MRXNPFEDSA-N 269.775 4.885 30 10 CJEE CC1(C)CC[C@]1(C#N)Cc1cc(F)ccc1C1CC1 2341748845 HTEMTGMCXQPDPS-QGZVFWFLSA-N 257.352 4.576 30 10 CJEE C=CCCC[C@@H](CCCCC(F)(F)C(F)(F)F)NC 2342337350 IKWPBUCKRZNDOE-NSHDSACASA-N 287.316 4.689 30 10 CJEE C=CC[C@H]1CCC[C@H]1NCc1cccc(C(C)C)c1 2343748149 UQBOLQCXWWMACT-FUHWJXTLSA-N 257.421 4.644 30 10 CJEE C=CC[C@](C)(CC)[C@H](N)CC1C[C@H]2CCC[C@H](C1)C2 2344338283 YFNPNOIZFUIAMH-ONIAQPFYSA-N 263.469 4.913 30 10 CJEE C=CC[C@](C)(CC)[C@H](O)c1cccc(C(F)(F)F)c1 2344463613 FYAFZXSBLIUZKB-KGLIPLIRSA-N 272.310 4.731 30 10 CJEE CCCCCCCC[C@@H](O)C12CC(CC(F)F)(C1)C2 2344781287 USDNNOGREDNLLK-IUDNXUCKSA-N 274.395 4.923 30 10 CJEE CCCCCCCC[C@H](O)C12CC(CC(F)F)(C1)C2 2344781288 USDNNOGREDNLLK-JEYLPNPQSA-N 274.395 4.923 30 10 CJEE CSc1cc(Nc2c(F)cccc2Cl)ccc1C#N 2353837584 HUABJNJFPGMRKK-UHFFFAOYSA-N 292.766 4.816 30 10 CJEE Cc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 3895167 SMPHJPBYPSFKHQ-NWNNTGRJSA-N 254.373 4.548 30 10 CJEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1cccc(C#N)c1 20550005 WZQIHLUQDGNQKE-OLMNPRSZSA-N 271.404 4.536 30 10 CJEE Cc1cc(Cl)ccc1Oc1c(C#N)cnc2ccccc12 36913436 LYSGBLQWQNJKTO-UHFFFAOYSA-N 294.741 4.861 30 10 CJEE N#C[C@H](C(=O)c1cc2ccccc2o1)c1ccccc1Cl 44268712 CKQBBDIRRPGACS-ZDUSSCGKSA-N 295.725 4.576 30 10 CJEE Cc1cccc(OCCC[C@](C)(C#N)c2ccccc2)c1 57687457 FHDCMPQARWGNPD-LJQANCHMSA-N 279.383 4.636 30 10 CJEE Cc1cc(C)c([C@@H](C#N)Cc2ccccc2C)c(C)c1 57741654 UCTJXVNJGAFHHM-GOSISDBHSA-N 263.384 4.770 30 10 CJEE CCCCCCCC(=O)c1ccc2c(c1)CCCC(=O)N2 59212203 LBYDQOVRKABNIA-UHFFFAOYSA-N 287.403 4.505 30 10 CJEE CCCCCCCCCNCCc1cccc(F)c1 59338634 IRKBYTQERUVSPU-UHFFFAOYSA-N 265.416 4.708 30 10 CJEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(C)c(Cl)c2)cc1C 63021969 HZIXAVUHMAZLJH-MRXNPFEDSA-N 297.785 4.755 30 10 CJEE CSc1ccc(C)cc1C(=O)/C=C/c1cccs1 83193165 HAFPZKKGNVBKLV-VOTSOKGWSA-N 274.410 4.675 30 10 CJEE C[C@@H]1CC(Nc2cccc(OCCCC#N)c2)C[C@H](C)C1 84468756 QFKGJQOHXFFCFP-FKEKPDDDSA-N 286.419 4.606 30 10 CJEE CCCCCCCCCCN1CCCC[C@@H]1CCC(=O)O 88379095 YEWKIKQUPHBRTN-QGZVFWFLSA-N 297.483 4.846 30 10 CJEE C[C@H]1CCC[C@](C#N)(C2(O)CCC(C(C)(C)C)CC2)C1 91876017 FFZQLFJMZUKWDO-JWFMREHNSA-N 277.452 4.674 30 10 CJEE CN(CC1(CS)CCCCCC1)c1cccc(F)c1 94580846 SKPBDSQOSRIIFY-UHFFFAOYSA-N 281.440 4.532 30 10 CJEE CCCC(CS)(CCC)CN1CCC(CC)CC1 94581370 GHVOOJWXJQZKDD-UHFFFAOYSA-N 271.514 4.625 30 10 CJEE CC(C)(C)[C@H](CS)COc1ccc(Cl)cc1Cl 94582982 DGAGLUXIYVMWPV-VIFPVBQESA-N 293.259 4.964 30 10 CJEE SCC1(CSc2ccc3ccccc3c2)CC1 94589279 DQXQQAGAEPARJM-UHFFFAOYSA-N 260.427 4.642 30 10 CJEE Fc1cccc(OCCCCCCCCCS)c1 97799671 BMEWIQHFGNOKJO-UHFFFAOYSA-N 270.413 4.865 30 10 CJEE CCCCCCCCCCN(CCC#N)C1CC1 110247055 GTHXPEKOWAZMMC-UHFFFAOYSA-N 250.430 4.505 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(CC(C)C)CC(C)C)C1 110263442 MWEOBVWYRDAUPC-FGTMMUONSA-N 278.484 4.709 30 10 CJEE CCCCCCCCN1CCCC[C@@H]1[C@@H](C)NCCC 111712411 FHJSQTACDSECTG-QZTJIDSGSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@H](Cc1cccc(OC)c1)NC 112893721 HBUBSEZXCTUOIH-GOSISDBHSA-N 291.479 4.966 30 10 CJEE CCCCCCCCCCCC[C@H](N)c1ccn(C)n1 115689149 KTVXCZDRNSCBDJ-INIZCTEOSA-N 279.472 4.731 30 10 CJEE CCCCCCCCCCCC(=O)c1c[nH]c(C(=O)O)c1 115855264 KCSXPDFDYBTEQV-UHFFFAOYSA-N 293.407 4.817 30 10 CJEE CCCCCCCCC(=O)N(C)[C@H](C)c1ccccc1O 115858563 MRPVBCBKRRUXRC-OAHLLOKOSA-N 291.435 4.662 30 10 CJEE CCCCCCCOc1cccc2c1CCC[C@H]2NC 116379128 VCVNCTNFRQWBHZ-QGZVFWFLSA-N 275.436 4.633 30 10 CJEE C[C@H](NCC(C)(C)C#N)c1ccc(-c2ccccc2)cc1 122327455 NXJBWNIULAWIGO-HNNXBMFYSA-N 278.399 4.554 30 10 CJEE CCCCCCCCCCN[C@H]1CCCC[C@@H]1C#N 124838301 CNOUCPZEQLDRDM-SJORKVTESA-N 264.457 4.799 30 10 CJEE C=C(C)CC[C@H](NCCC)C1C2CC3CC(C2)CC1C3 125706836 QITXQHGMCHLDMW-YXOSVLIBSA-N 275.480 4.783 30 10 CJEE CCCCCCCCCCC(=O)c1ccc(F)cn1 125710603 LHNGJQYLNLRFLP-UHFFFAOYSA-N 265.372 4.934 30 10 CJEE CCCCCCCC[C@H](NCC)[C@H]1Cc2ccccc2O1 126522837 WYBKCCYPXSSBHE-PKOBYXMFSA-N 289.463 4.719 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@H](C)OC 135556605 KIWPGWJMSMOTLS-JKSUJKDBSA-N 258.446 4.693 30 10 CJEE CCCCCCCCC[C@H](CCCOCC)NC 139433362 SUEHLMFMHCRYCW-MRXNPFEDSA-N 257.462 4.532 30 10 CJEE CCCCCCCC[C@@H](NCCC)[C@H]1CCSC1 140349817 VKJRDJNQMDJZSR-JKSUJKDBSA-N 271.514 4.858 30 10 CJEE CCCCCCCC[C@@H](N)C1CCC(F)(F)CC1 140414113 ATIZFVCODLDEQS-CQSZACIVSA-N 261.400 4.890 30 10 CJEE CCCCCCCCN[C@@H](C)c1cc(C)ccc1O 160779631 FYIZTKOZUOISOM-HNNXBMFYSA-N 263.425 4.712 30 10 CJEE CC[C@@H](C)c1ccccc1OCc1ccc(C#N)cc1C 165540628 KECVFBVUVUGCHP-CQSZACIVSA-N 279.383 4.959 30 10 CJEE CCCCCCCCCOc1c(Cl)cccc1CCN 166071836 IAXLGYGXYFSPNA-UHFFFAOYSA-N 297.870 4.971 30 10 CJEE C=CCCC[C@@H](NCC)C1(CC(C)C)CCCC1 167680467 GJNCKVGDPTWPFY-MRXNPFEDSA-N 251.458 4.927 30 10 CJEE CC[C@@H]1CC[C@H](C#N)[C@@H](n2cnc3cc(C)c(C)cc32)C1 222225829 FHGUUPZGNTYNJY-INMHGKMJSA-N 281.403 4.544 30 10 CJEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCC(C)(C)C#N 227021851 YFPUVOSKUVXGJS-PMPSAXMXSA-N 265.441 4.794 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2coc3ccccc23)C1 228302057 KQZCXRAYWBDPMA-JEBQAFNWSA-N 283.371 4.576 30 10 CJEE C=CCCC[C@H](NCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232348486 BCCPFKVZTJJRBO-MCIONIFRSA-N 277.374 4.690 30 10 CJEE CC(C)CCN(CCC(C)C)C[C@H](CS)C(C)(C)C 232549960 BMTAKNRNOHQUNC-MRXNPFEDSA-N 287.557 4.973 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(F)c(F)cc1F 232934728 AFAWURLJHFWLIW-OAHLLOKOSA-N 274.326 4.888 30 10 CJEE CCCCCCCC[C@@H](N)[C@@H]1CSc2ccccc2O1 232953721 IQJSWCIZNWOBQB-ZBFHGGJFSA-N 293.476 4.618 30 10 CJEE CC[C@H](Nc1cccc(C)c1C#N)c1ccc(C)cc1 234057530 IJPAGMRJAOHMDQ-KRWDZBQOSA-N 264.372 4.738 30 10 CJEE C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)cc1Cl 235275673 PJCCUGBHKGQPRJ-BXUZGUMPSA-N 276.811 4.838 30 10 CJEE CCCCCCCN1C[C@H]([C@H](C)CC)NC[C@H]1CC(C)C 250823466 MJEVVMZAJHYHPD-GUDVDZBRSA-N 296.543 4.691 30 10 CJEE CCCCCCCN1C[C@H](CC)NC[C@H]1C1CCCCC1 250836056 UZLZRGFRHBEUMS-OALUTQOASA-N 294.527 4.590 30 10 CJEE C=CCCCCN[C@H]1CCCC[C@@H]1c1ccccc1 311591241 AVBKOKSRFQIPMP-MSOLQXFVSA-N 257.421 4.659 30 10 CJEE C=CCC(C)(C)CN[C@H](C)c1ccccc1OC(F)F 312370370 CBTHSBXFCILLJD-GFCCVEGCSA-N 283.362 4.541 30 10 CJEE C[C@@H]1CCC[C@@H](C[C@]2(C=O)CCCc3ccccc32)C1 317301305 XKBJRJAADXLAJI-MDZRGWNJSA-N 270.416 4.676 30 10 CJEE CCCCCCCCOCc1cc(C)nc(Cl)c1 318241833 BHHOSCDSCBJIBH-UHFFFAOYSA-N 269.816 4.921 30 10 CJEE CC(C)(C)C#CC[C@]1(CNC(C)(C)C)C[C@H]2CC[C@H]1C2 318327530 QVKKDHKPUDSWHQ-TXPKVOOTSA-N 275.480 4.621 30 10 CJEE CC[C@@H]1CCC[C@@](C#N)([C@@](O)(CCC(C)C)C2CC2)C1 380327902 VTVWMRLMZCQDCM-KBAYOESNSA-N 277.452 4.674 30 10 CJEE CCC(=CC(=O)c1ccc2ccccc2c1F)CC 382199003 LTWZTKRTFFKAJG-UHFFFAOYSA-N 256.320 4.908 30 10 CJEE CCCCCCCCCCCCN1CCC[C@@H](O)[C@H]1C 384930126 SIDHTAVZCBLVDK-QZTJIDSGSA-N 283.500 4.753 30 10 CJEE CCCN(CCCCCCCCCS)CC(F)F 386902420 IUISELOWVGDDRQ-UHFFFAOYSA-N 281.456 4.624 30 10 CJEE CC1(C)CCC(C#N)([C@H](O)CCC2CCCCC2)CC1 395108269 NIUXJMCOMVJMQD-MRXNPFEDSA-N 277.452 4.818 30 10 CJEE CCCCCCCC[C@@H](NN)c1c(F)cc(C)cc1F 398679698 MLDNUMZSIWETPG-OAHLLOKOSA-N 284.394 4.528 30 10 CJEE CCCCCCCCCC[C@H](N)c1ccc(C)cn1 401144339 ALTOGDVOYNHBME-INIZCTEOSA-N 262.441 4.921 30 10 CJEE C=CCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1NCC 403402569 BZFYFNUNRYQLIV-BRWVUGGUSA-N 281.484 4.552 30 10 CJEE CC(C)(C#N)CCCNc1ccc2c(c1)CCCCC2 404713617 BOQCQPXBSRUUQD-UHFFFAOYSA-N 270.420 4.697 30 10 CJEE C[C@@](C#N)(Cc1csc2ccccc12)c1ccccc1 405662566 OHYRWWOXXCFNSB-SFHVURJKSA-N 277.392 4.925 30 10 CJEE C=CCC[C@@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 436301696 NCSKISMLQMHQOX-XNRPHZJLSA-N 263.812 4.530 30 10 CJEE CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](OC)C1 686349718 PCVQAWWVPGQBRZ-BBWFWOEESA-N 269.473 4.530 30 10 CJEE C#CCCCCC[C@H](NCCC)c1cccc(C)c1 686681706 CVNSKDSSFZPGHN-SFHVURJKSA-N 257.421 4.619 30 10 CJEE C#CCCCCC[C@H](NCCC)[C@H](C)C(C)(C)C 686696943 LNZALMRVTWECSR-HOTGVXAUSA-N 251.458 4.621 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC[C@H](C)c1ccccc1 692264716 SKHBLXIMMZLOEJ-JQHSSLGASA-N 257.421 4.515 30 10 CJEE 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4.549 30 10 CJEE CCCCCCCCCC[C@@H](N)[C@H]1C[C@H]2C[C@@H]1C2 2222285902 VJMJFJBTCVWCIX-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE CCCC#C[C@H](NCCC)C1(C)CCC(C)(C)CC1 2225435735 FNESWCIPAXQSAU-INIZCTEOSA-N 263.469 4.765 30 10 CJEE C=CCCCCCCCCO[C@@H](C)CCNCCC 2225685399 RRNSWKPOPQUXED-KRWDZBQOSA-N 269.473 4.698 30 10 CJEE CCC(CC)CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2225688295 AHXKEOSVLYTVJA-CYBMUJFWSA-N 298.213 4.996 30 10 CJEE C=CCCCCCCCNC[C@@]1(C)CCC(F)(F)C1 2227275826 YWBFDAFXAYGJMC-HNNXBMFYSA-N 273.411 4.928 30 10 CJEE C=CCCCCCCCC(=O)[C@@H]1C[C@@H](OC)C1(C)C 2227283903 PHAVROUQUMFOBI-GOEBONIOSA-N 266.425 4.533 30 10 CJEE C=CCCCCCCC[C@H](NC)[C@@H]1CC[C@H]2C[C@H]2C1 2227288649 VPNKGSZDWIAYMF-MHORFTMASA-N 263.469 4.927 30 10 CJEE CCCCCCCCCCO[C@@H]1C[C@@H](N)[C@@]1(C)CC 2231017362 YJKBWLUSNHNVES-BRWVUGGUSA-N 269.473 4.660 30 10 CJEE C=C[C@H](CCCCC)Oc1cc(Cl)c(F)cc1C#N 2231024383 ZTIDPETZGJAHBQ-GFCCVEGCSA-N 281.758 4.864 30 10 CJEE CCCCCCC[C@H](NC)c1ccnc2nc(C)sc12 2232754171 UXSQURNBQJIPDF-AWEZNQCLSA-N 291.464 4.621 30 10 CJEE C=CC[C@@H]1CCCCN(CC2C[C@H]3CCC[C@H](C2)C3)C1 2233729557 WAIFKLYJHQUERP-SQNIBIBYSA-N 275.480 4.881 30 10 CJEE C=CCCCCCCCCO[C@H]1CC2(CC[C@H]1N)CC2 2234043908 SFZBVMSBYGPHQW-SJORKVTESA-N 279.468 4.580 30 10 CJEE CC[C@](C)(CCCC(C)C)Oc1ccc(N)cc1C#N 2234435706 GBHVOGNLLHDUOQ-QGZVFWFLSA-N 274.408 4.514 30 10 CJEE C=CCCCCCCC[C@@H](O)[C@H](C)c1ccc(N)cc1 2235538356 HYFOSORCEFXBFA-CRAIPNDOSA-N 275.436 4.650 30 10 CJEE C=CCCCCCCC[C@@H](O)c1cnn(C(C)(C)C)c1 2235542623 URNBAWPTHKNIOA-MRXNPFEDSA-N 278.440 4.588 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@@H](C(F)F)CC[C@H]1O 2239466597 GIMPYZDIBMWURC-RRFJBIMHSA-N 292.410 4.548 30 10 CJEE CCCCCCCCCO[C@@H]1CC[C@H]1CNC(C)(C)C 2239466823 CWWNFEYRVKFNJU-DLBZAZTESA-N 283.500 4.920 30 10 CJEE CC(C)(C)[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1 2239487038 MFIVOXLKSKKCHP-QAPCUYQASA-N 290.834 4.659 30 10 CJEE CCCCCCCCC[C@]1(CNC2CCC2)CCCO1 2240113335 KWCIOSXLSRMTJD-GOSISDBHSA-N 281.484 4.818 30 10 CJEE C=C[C@@H](C)C[C@H](Cc1ccc(C2CCC2)cc1)NCC 2240358293 RNEUFVNAPUITLJ-DNVCBOLYSA-N 271.448 4.687 30 10 CJEE CCCCCCCC[C@@](C)(CN)N(C)[C@H](C)C1(C)CC1 2240572060 GRUNYSGGBOBABB-AEFFLSMTSA-N 282.516 4.575 30 10 CJEE CCCCCCCC[C@](C)(OC[C@@H]1C[C@@H]1CC)C(=O)O 2240617487 FXRJYVKNWOPYOT-ZOBUZTSGSA-N 284.440 4.643 30 10 CJEE CCCCCCCC[C@@H](C)NCC12CC(CC)(CO1)C2 2240655898 CIUABXSDTLJVQB-WWDZGPRUSA-N 281.484 4.674 30 10 CJEE SC[C@@H](COCC12CC3CC(CC(C3)C1)C2)C1CCC1 2240663909 ZRUXKJUGYRFXHC-UFPBRMSXSA-N 294.504 4.566 30 10 CJEE C=CCCCSc1c(CNCC)sc(C)c1C 2250062869 RYJDFGFRLNOSRT-UHFFFAOYSA-N 269.479 4.533 30 10 CJEE C=CCCCCCCCSC[C@@H](CCC)NC 2250063069 SZQXVIFLZBWIQF-OAHLLOKOSA-N 257.487 4.634 30 10 CJEE C=C(C)CCCCNCc1sc(C)c(C)c1C 2250148233 XOAGTQUGETVCID-UHFFFAOYSA-N 251.439 4.509 30 10 CJEE C=C(C)CCCCC[C@@H](O)c1ccccc1Cl 2250190707 SFCLLZMOBASJIF-OAHLLOKOSA-N 252.785 4.900 30 10 CJEE C=CCCCSc1ccccc1[C@H](CC)NCC 2259046452 REURVVQWMKFQCZ-HNNXBMFYSA-N 263.450 4.806 30 10 CJEE CC(C)(C)C#CC=CCNc1cccc(C(F)F)c1 2268827313 ARABHYXNYCSTRK-UHFFFAOYSA-N 263.331 4.642 30 10 CJEE C=CCCCCCCCSCc1cnc(C(=O)O)s1 2271493638 STIIHEUHBAUHEM-UHFFFAOYSA-N 299.461 4.601 30 10 CJEE C=CCCCSc1ccc(CNC(C)(C)C)cc1C 2271588338 ZVHIHXGTFZRNOS-UHFFFAOYSA-N 277.477 4.941 30 10 CJEE C=C(C)CCCC[C@]1(N)c2ccccc2CC[C@H]1C 2271764478 GWPKTFSNJHLVSI-CRAIPNDOSA-N 257.421 4.559 30 10 CJEE C=C(C)CCCC[C@H](NC)[C@@]1(C)CCCC(F)(F)C1 2271840126 YZQKEAKNWHGFRS-GJZGRUSLSA-N 273.411 4.927 30 10 CJEE C=CCCCC[C@@H](NCCC)C1CC2(CC(F)C2)C1 2272134866 AAUHNFIUDLCGAH-ONNPGMOUSA-N 267.432 4.629 30 10 CJEE CSCC1(C[C@]2(C#N)CCCC23CC3)CC(F)(F)C1 2273951390 SANBXLBVJCBFLM-AWEZNQCLSA-N 285.403 4.629 30 10 CJEE CCCCCCCCC[C@](C)(O)[C@@H]1CC[C@H](OC)C1 2278174591 XEVFLSSBHUDINM-IKGGRYGDSA-N 270.457 4.693 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H](CC)[C@H](O)CC 2278233997 GJQUWKFRXOCLMF-YESZJQIVSA-N 271.489 4.655 30 10 CJEE CCCCCCCCC[C@H](C)NC[C@H](CC)CCO 2278247196 UOYXIEGWERWQRL-DLBZAZTESA-N 271.489 4.514 30 10 CJEE C=C1CCC(C[C@H](O)[C@H]2CC[C@H](C(F)(F)F)CC2)CC1 2279631999 GHFIBOSLULUQRA-KKUMJFAQSA-N 290.369 4.853 30 10 CJEE CCCCC#CC[C@H](NCC)[C@H]1CC[C@H](C(F)(F)F)C1 2279659185 HGQOENARYORKPY-KKUMJFAQSA-N 289.385 4.527 30 10 CJEE CCCCCCCC[C@@H](CC1CC2(CCCC2)C1)NN 2279982183 WUIJBIYRKXSYJU-KRWDZBQOSA-N 280.500 4.929 30 10 CJEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(C)c(Cl)c1 2284096096 QHHOCJIVKJWBND-QGZVFWFLSA-N 289.850 4.905 30 10 CJEE Cc1cc(N[C@@H](CC#N)c2ccccc2)cc(C)c1C 2286133034 DSQYUMKAOBFDBE-SFHVURJKSA-N 264.372 4.679 30 10 CJEE CCCCCCCC[C@@H](C)NCc1nc(C2CC2)ns1 2287909600 JJKVPNLMSKEQCH-CYBMUJFWSA-N 295.496 4.644 30 10 CJEE Cc1ccc(C#N)c(NCC[C@H](C)CCCC(C)C)n1 2287932291 YCYWJBOMPBNDKM-CQSZACIVSA-N 273.424 4.526 30 10 CJEE CCc1ccc(C#N)c(NC[C@]23CCCC[C@H]2CC3)c1 2289024814 ZZYMXFMQSSHUIM-FUHWJXTLSA-N 268.404 4.503 30 10 CJEE N[C@H](CC#CC1CCCC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 2289884832 YJVHLVYTYWXJOU-WJFTUGDTSA-N 273.464 4.504 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)[C@]1(O)CC(C)(C)CCC1(C)C 2290270711 YZPBQUOZKIQXQW-OLMNPRSZSA-N 277.452 4.674 30 10 CJEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1cc(C)cs1 2291764837 BFLJVHBKKLRGME-CQSZACIVSA-N 296.432 4.725 30 10 CJEE C=CCCCCCC[C@@H](OCCCN)[C@@H](CC)C(C)C 2292778152 CFGYJCOQHQALPL-ZWKOTPCHSA-N 283.500 4.929 30 10 CJEE CCCCCCCC[C@](C)(OCCN)[C@@H]1[C@H]2CCC[C@H]21 2293000334 OFUOASGYNIPPNQ-MLHJIOFPSA-N 281.484 4.517 30 10 CJEE C=C([C@H](OCCCN)C1CCCCCCC1)C(C)(C)C 2293347133 BKBOWVDGUIHCKV-KRWDZBQOSA-N 281.484 4.683 30 10 CJEE CCCCCCCC[C@@H](OCCCN)c1ccoc1C 2293411187 QFIXUDIIQOQIAR-QGZVFWFLSA-N 281.440 4.745 30 10 CJEE C=C(F)C[C@]1(OCCCN)CCC[C@H](C(C)(C)C)CC1 2293630270 PQLDIHIQYGBCCU-RDJZCZTQSA-N 285.447 4.590 30 10 CJEE CCCCCCC[C@]1(OCCCN)CCCC2(CC2)C1 2293682935 ONTAKZVEMJJTGU-SFHVURJKSA-N 281.484 4.805 30 10 CJEE CCCCCCCC[C@H](OCCCN)C1(C)CC=CC1 2293718662 YLZUMRNFWQHFLU-KRWDZBQOSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCC[C@](CC)(OCCN)[C@H]1C[C@H]1C 2293785254 PPGKWSZPEISUEC-SQNIBIBYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCCCC[C@@]1(OCCN)CCCSC1 2293993220 AEXVUOGYWDXQCD-QGZVFWFLSA-N 299.524 4.534 30 10 CJEE CC1(C[C@]2(C#N)CCc3ccccc3C2)CC(F)(F)C1 2295606363 BMVCHYLOIQEWKX-INIZCTEOSA-N 275.342 4.511 30 10 CJEE CCCCCCCCC[C@]1(C)NCCCn2cccc21 2295677963 FKIQWSMEZXQBSG-SFHVURJKSA-N 276.468 4.837 30 10 CJEE CCC(=CC(=O)c1c(F)ccc(C)c1Cl)CC 2299063103 JHBZPYFPHRIWLI-UHFFFAOYSA-N 254.732 4.717 30 10 CJEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)ccc1Cl 2304034599 FBKLWIDZJRQBFY-CYBMUJFWSA-N 272.219 4.856 30 10 CJEE C=C(C(=O)c1c(Cl)cc(C)cc1Cl)C(F)(F)F 2307637923 BTVMTXRAKDOJGU-UHFFFAOYSA-N 283.076 4.603 30 10 CJEE CCCCCCCC[C@@H](N)C[C@@H]1C[C@H]2CC[C@@H]1C2 2313162055 METQABJBXZXELA-VVLHAWIVSA-N 251.458 4.891 30 10 CJEE C=CC[C@@H](C)Sc1ccc(C(F)(F)F)c(C#N)c1 2313702807 WJWKEMPFCZXSHE-SECBINFHSA-N 271.307 4.634 30 10 CJEE C=C([C@@H](NC)c1ccc(Cl)c(Cl)c1C)C(F)(F)F 2316945787 PETYBJRFJNSING-LLVKDONJSA-N 298.135 4.681 30 10 CJEE C=C[C@](N)(c1cc(C2CC2)ccc1Cl)C(C)(C)C 2317138761 SFLPYWNVCSZIGA-INIZCTEOSA-N 263.812 4.604 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(C[C@H]2CCC(C)(C)C2)C1 2319034283 KTIKKKOUSRJWRI-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE CCCc1ccccc1OC[C@@H](CS)CC(C)C 2328522549 IGSABKIVXYQWIU-AWEZNQCLSA-N 266.450 4.610 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccccc1Cl)[C@H](C)N 2335100857 OBYXKIQNZBFWRJ-BLLLJJGKSA-N 295.879 4.982 30 10 CJEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccc(C)cc1 2337073747 BKCGKLNOPYODMW-RYQLBKOJSA-N 257.421 4.781 30 10 CJEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1cccc(F)c1 2337106975 NVOVVQYZHJMCHJ-XOKHGSTOSA-N 261.384 4.611 30 10 CJEE C=CC[C@@H](C)[C@H](NCC)c1cc(F)ccc1C(F)F 2338269081 FKOFVHNTRSQGBT-YGRLFVJLSA-N 271.326 4.626 30 10 CJEE C[C@H](CCS)CCOCC(C)(C)Cc1ccccc1 2338827189 LGPQDKWLUKOQIS-HNNXBMFYSA-N 280.477 4.618 30 10 CJEE CCC#C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341111671 WOVXTAAJKPUBOW-INIZCTEOSA-N 298.257 4.708 30 10 CJEE CC(C)c1cccc(C[C@]2(C=O)CCCC2(C)C)c1 2343746373 PIRYULBGHISMRH-SFHVURJKSA-N 258.405 4.748 30 10 CJEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(F)cc1Cl)NC 2344349691 VNBSRUBCYFTFOS-HZPDHXFCSA-N 283.818 4.602 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1ccc(OC)c(Cl)c1 2344379442 XTVMKJYZSKLVEC-HNNXBMFYSA-N 281.827 4.602 30 10 CJEE C[C@@H]1c2sccc2CCN1C[C@@](C)(CS)C(C)(C)C 2352166560 PIJTVBWMPSFULI-WBMJQRKESA-N 297.533 4.649 30 10 CJEE CCCCCCCC[C@@H](O)c1cc(C(C)C)ccn1 2353004224 AMMRECJBOZKTFW-QGZVFWFLSA-N 263.425 4.989 30 10 CJEE CCCCCCC[C@](C)(N[C@@H](C)c1cccs1)C(=O)O 2353868102 QNRGURUSVZMCQT-BBRMVZONSA-N 297.464 4.603 30 10 CJEE CN[C@H](CC#CC(C)(C)C)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354881987 DTOLWCXQBWLLCO-XLAORIBOSA-N 275.480 4.621 30 10 CJEE CCCCCCCCCCCC[C@H](N)[C@@H](O)[C@@H]1C[C@H]1C 2357643622 KOFPTEPXIMSBSD-BDXSIMOUSA-N 283.500 4.642 30 10 CJEE CCCCCCC[C@](C)(OCC(=O)O)[C@H](C)CC1CC1 2360369359 VJFSBNCFHKVMCQ-PBHICJAKSA-N 284.440 4.643 30 10 CJEE CCN[C@](C)(C#N)CCCCSC[C@H]1CC[C@H](C)CC1 2360511862 BKUPKHZAJGIUIF-ULQDDVLXSA-N 296.524 4.608 30 10 CJEE O=C(/C=C\c1ccccc1)/C=C/C=C\c1ccccc1 35005609 ISTXRHJZVWZATL-PEIUIALNSA-N 260.336 4.539 30 10 CJEE Cc1ccc(N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 37935635 GRUGKSSGHCYVBS-AWEZNQCLSA-N 291.181 4.979 30 10 CJEE CC(C)N[C@](C)(C#N)CCCCS[C@H]1CCC[C@@H](C)C1 54695152 SDYOXPLEEPQKLF-IKGGRYGDSA-N 296.524 4.749 30 10 CJEE CCCCCCCCCOc1ccc([C@H](C)O)cc1OC 59292839 CHDVHKXCIYOGSE-HNNXBMFYSA-N 294.435 4.878 30 10 CJEE CCCCCCCCNc1ccc(CC)c([N+](=O)[O-])c1 59469062 MQINZDBQUNBPTF-UHFFFAOYSA-N 278.396 4.930 30 10 CJEE CCCc1ccc(/N=C2/N[C@H](c3ccccc3)CS2)cc1 63001861 LSEICUCYDGFRLZ-KRWDZBQOSA-N 296.439 4.704 30 10 CJEE C[C@@H]1CCC[C@H](Nc2cccc(OCCCC#N)c2)[C@@H]1C 68625317 YQNXHFPJPAJLET-RKVPGOIHSA-N 286.419 4.606 30 10 CJEE CN(Cc1cccc(Cl)c1)c1cccc(Cl)c1C#N 70138448 ZQTNIFLHEBSTQP-UHFFFAOYSA-N 291.181 4.501 30 10 CJEE CC1(C)CCC(Nc2ccc(C#N)c(Cl)c2)CC1 79621280 UUMPGSFCIQWLJP-UHFFFAOYSA-N 262.784 4.592 30 10 CJEE CC[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86899337 SAQRNASCONSIFM-SWLSCSKDSA-N 276.811 4.982 30 10 CJEE CC(C)(C)[C@@H](CS)COc1cccc2ccccc12 94583009 ZIBJWCVOGXBOBD-CQSZACIVSA-N 274.429 4.811 30 10 CJEE CCCCCCCCC(=O)Cc1cc(F)cc(F)c1 103940556 MMFJDVUIRZGBTR-UHFFFAOYSA-N 268.347 4.827 30 10 CJEE C=C[C@H](OCc1ccccc1)[C@H](C=C)OCc1ccccc1 106047001 SIDNFRGHUJGCFX-PMACEKPBSA-N 294.394 4.529 30 10 CJEE CC#C[C@@H](C)[C@@H](C)c1cc2c(cc1Cl)CCCC2 107568958 BTOODIFCMCDGDK-CHWSQXEVSA-N 260.808 4.982 30 10 CJEE CCCCCCCCCN(CCC)C1C[C@@H]2CC[C@@H](C1)N2 109687827 RBDPVXVUJQOPMM-ROUUACIJSA-N 294.527 4.732 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H]2CCC[C@H](C)C2)C1 110264174 WKOQXPNCVHYZII-YYWYGQEZSA-N 276.468 4.605 30 10 CJEE CCCCCCCCOc1cc(C)ccc1/C(C)=N/O 110962991 OIKMZITZRJYWAI-OBGWFSINSA-N 277.408 4.933 30 10 CJEE Cc1cc(Oc2ccc(F)cc2C#N)ccc1C(C)C 111036979 LGEJRUDKVHQCNS-UHFFFAOYSA-N 269.319 4.922 30 10 CJEE CCC(CC)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 111669320 UNNVITYPNQHDGN-JTQLQIEISA-N 284.325 4.814 30 10 CJEE CCCCCCCC[C@H](Cc1ccsc1)NC 115063787 XITNONLIIIUVDU-OAHLLOKOSA-N 253.455 4.629 30 10 CJEE CCCCCCCN1C[C@@](C)(CC)NCC12CCCCC2 115242126 XOYFOXWWLVGQOQ-GOSISDBHSA-N 294.527 4.734 30 10 CJEE CCCCCCCCC[C@@H](O)[C@H](CN)c1ccccc1C 115862861 BAPIMUKDFIFHPY-RTBURBONSA-N 291.479 4.539 30 10 CJEE CCCCCCCC[C@@H](NCC)[C@@H](C)c1ccccn1 117687270 VXDMAPFEVLOLIH-IAGOWNOFSA-N 276.468 4.914 30 10 CJEE FC1=C(F)[C@@]2(F)C(F)=C(F)C(F)(F)[C@@]2(F)C(F)=C1F 138862139 GFZNBPMSRVLSRB-HTQZYQBOSA-N 298.079 4.517 30 10 CJEE CCCCCCCCCCCCOC[C@@H](O)CC 139677953 MZKCQCAOCJKGNQ-INIZCTEOSA-N 258.446 4.695 30 10 CJEE CCCCCCC[C@H]1CC(C)(C)CC[C@H]1C(=O)O 149584394 PDMQLYJMILDDDQ-UONOGXRCSA-N 254.414 4.874 30 10 CJEE C=C(CC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1CNCC 156177029 DZSBGITVNQMZSY-GVDBMIGSSA-N 251.458 4.641 30 10 CJEE CCCCCCCCC[C@H](NCC)C(C)(C)OCC 159812023 YJDDOYYWMNWVBF-INIZCTEOSA-N 271.489 4.920 30 10 CJEE CCCCCCCCCCC[C@H](O)CCCOC 160327191 CUXSVQJTHSZRDR-INIZCTEOSA-N 258.446 4.695 30 10 CJEE N#Cc1ccc(Nc2cccc3ccccc23)cc1F 160489738 CMNDMCGVEPTAPK-UHFFFAOYSA-N 262.287 4.594 30 10 CJEE CCCCCCCCNC1=NCC2(CCCC2)CS1 161092088 YNZCWFHTWNKVPD-UHFFFAOYSA-N 282.497 4.600 30 10 CJEE CCCCCCCN1CCc2cc([C@@H](C)NCC)ccc21 162165793 XRTCOAZIQNLIKO-MRXNPFEDSA-N 288.479 4.690 30 10 CJEE C=C(C)CC[C@H](NCCC)c1cccc(Br)c1 164510787 AYKXKILBWPGNMC-HNNXBMFYSA-N 296.252 4.846 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 166680263 LYLDMHCNKVKSDK-ULQDDVLXSA-N 279.468 4.617 30 10 CJEE N#C[C@H](Sc1cccc(Cl)c1)C1CCCC1 167878452 SDUQQCPCDNMMTF-ZDUSSCGKSA-N 251.782 4.514 30 10 CJEE C=C(CC)C[C@@H](NCCC)[C@H]1CCCCC1(C)C 226860109 BMISIOJOPQNETL-HZPDHXFCSA-N 251.458 4.927 30 10 CJEE CCCCCCCCCC(=O)[C@@H](OCC)C(C)C 227412520 QYIMXOVNHKVZGP-INIZCTEOSA-N 256.430 4.757 30 10 CJEE CCCCCCCC[C@H](NN)[C@@]1(OCC)CCC[C@@H](C)C1 229914266 WRTMGDRLHKYVJU-FGTMMUONSA-N 298.515 4.554 30 10 CJEE CCCCCCCCCOC(=O)c1cc(F)ccc1F 230885287 IUVDQGJNSQVPAZ-UHFFFAOYSA-N 284.346 4.872 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@H](C(C)C)C2)c1 231003955 TYBZJLSOHCQWSA-DOTOQJQBSA-N 256.393 4.516 30 10 CJEE C[C@@H]1CC=C(C(=O)c2ccc(C(C)(C)C)cc2)CC1 235617613 UQEFKMKUOFCRBP-CYBMUJFWSA-N 256.389 4.913 30 10 CJEE O=C(C=C1CCCCC1)Cc1ccc(Cl)cc1Cl 236049476 TUZOLJKZCHLLON-UHFFFAOYSA-N 283.198 4.996 30 10 CJEE C=CCCCCCSc1ccc(N)c(Cl)c1 236339016 GCGWRPIMSGCHHV-UHFFFAOYSA-N 255.814 4.761 30 10 CJEE CCCCCCCCCCC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 250794971 AKIVHJGMUMASBH-HLLBOEOZSA-N 266.425 4.654 30 10 CJEE C[C@@H](C#N)c1cc(F)c(OCc2ccccc2)c(Cl)c1 260815576 WGOZOESTQACLTB-NSHDSACASA-N 289.737 4.685 30 10 CJEE C=C(CC)C[C@H](N)c1ccccc1OCc1ccccc1 310017405 OWTTYPFSHXTEBK-SFHVURJKSA-N 281.399 4.622 30 10 CJEE CCCCCCC[C@H](NN)c1ccc(Cl)c(C)c1F 311485832 SJJULNPXHMTNCK-AWEZNQCLSA-N 286.822 4.652 30 10 CJEE CC(C)C1CCC([C@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)CC1 312584226 KVZABMYRJITSEL-UIJHXXCUSA-N 277.452 4.530 30 10 CJEE Cc1ccc(N[C@]2(C#N)CCCC23CCCCC3)cc1 313034628 LWYHFQYJBYSACI-SFHVURJKSA-N 268.404 4.804 30 10 CJEE CC(C)c1ccc(C[C@]2(C=O)CCC[C@@H](C)C2)cc1 317611772 TVZAHAXBCGNMPI-QAPCUYQASA-N 258.405 4.748 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)Sc1ccccc1Br 319664276 GAMULWJEQSXLSE-GXFFZTMASA-N 298.249 4.725 30 10 CJEE CCCCCCCCC[C@H](NC)C(C)(C)SC 327914182 RHOKBFRYWZMGKA-AWEZNQCLSA-N 259.503 4.857 30 10 CJEE C1CCCC(/N=C2/N[C@@H](C3CCCCC3)CS2)CCC1 385958937 FATZMSLWMLAYGJ-MRXNPFEDSA-N 294.508 4.741 30 10 CJEE CC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 401397263 LQNMKWNFBRHQHF-TZMCWYRMSA-N 276.811 4.840 30 10 CJEE C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CCC1CCCC1 466424225 CTYQEUJTOPMAQZ-DOTOQJQBSA-N 277.452 4.550 30 10 CJEE N#Cc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1 514259531 QRGZHSZQPIDMPZ-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE C#CCCCCCNc1ccc(C(F)(F)F)cc1Cl 686681387 PCFOIXIGEFGZKY-UHFFFAOYSA-N 289.728 4.964 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)CCOC2 688362914 YWUXEYZFDROUAE-GOSISDBHSA-N 276.420 4.543 30 10 CJEE Cc1nsc(Nc2cc(Cl)c(C)c(Cl)c2)c1C#N 690285281 DIHVXVNZWLZNAU-UHFFFAOYSA-N 298.198 4.682 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cc1Cl 692190229 JDLZEUPEHGTULG-GWCFXTLKSA-N 285.218 4.935 30 10 CJEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(F)c1 695742798 FGRUEHUWNSGLAI-HNNXBMFYSA-N 288.753 4.914 30 10 CJEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)ccc1Cl 695861424 ABEBAVYRVBXMQH-SECBINFHSA-N 271.191 4.734 30 10 CJEE CCCCCCCCCCN1CCCC[C@H]1[C@@H](C)CN 696685190 YFTZCAMONCRKEX-ROUUACIJSA-N 282.516 4.576 30 10 CJEE C=C1C[C@H]2CC(NC3C[C@@H](C)C[C@H](C)C3)C[C@@H](C1)C2 697295910 KMKMDXNRHIXMQP-JIMBDRRSSA-N 261.453 4.536 30 10 CJEE C=C1C[C@H]2CC(Nc3ccccc3OCC)C[C@@H](C1)C2 697307064 QLHOWDLUTMHIFV-XYPWUTKMSA-N 271.404 4.632 30 10 CJEE CCCCCCCCC[C@@H]1C[C@H](COC)C[C@@H]1NCC 698709114 NCZKVBMOFKIDMV-KSZLIROESA-N 283.500 4.778 30 10 CJEE C#C[C@@H](N[C@@H]1c2cc(Cl)ccc2CC1(C)C)C(C)(C)C 705219525 QLSYHWSACCIEQL-HZPDHXFCSA-N 289.850 4.601 30 10 CJEE CC(C)C[C@@H](C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 709121457 DIFOAKNWUNBNRM-ZWNOBZJWSA-N 298.213 4.852 30 10 CJEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C)c(Cl)c1 709350727 HEHSMGKAKFOIRN-RDJZCZTQSA-N 277.839 4.873 30 10 CJEE CCC(C)(C)[C@@H](C)/N=C1/NC2(CCCCCC2)CS1 713201482 COMVGWGNLONRNH-CYBMUJFWSA-N 282.497 4.597 30 10 CJEE CCCCCCCC[C@H](CC(C)(C)C(C)C)NN 713267128 WRCJMNSDFWUEFQ-OAHLLOKOSA-N 256.478 4.641 30 10 CJEE C=CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1Cl 715040942 UFDKDXSXITYPQY-MRVPVSSYSA-N 263.690 4.735 30 10 CJEE C=CC[C@@H](C)[C@@H](NC)C(CC)(CC)c1ccccc1 715707825 YVSZKQAEYCQAFH-NVXWUHKLSA-N 259.437 4.545 30 10 CJEE C=CC[C@@H](C)[C@H](NC)C1CCC(CCCC)CC1 715753124 BQCWZPARBSMDOU-VXLLPVPCSA-N 251.458 4.783 30 10 CJEE CCCCCCCCCCCC[C@@H](O)COC1CC1 717715335 UEPRQXWTQAUDAW-MRXNPFEDSA-N 270.457 4.837 30 10 CJEE CCCCCCC[C@H](C)N[C@H](CC)[C@@H]1CCCOC1 724014316 MZQDVGOZDKOGCZ-GVDBMIGSSA-N 269.473 4.530 30 10 CJEE N#CCOc1ccc(Cl)cc1CSc1ccccc1 735231524 WFZLAJHCBCKPFZ-UHFFFAOYSA-N 289.787 4.535 30 10 CJEE C=CC[C@H](OC(=O)c1nc(C(C)C)oc1C)c1ccccc1 802777159 GRMZYSVSAVBJOP-HNNXBMFYSA-N 299.370 4.581 30 10 CJEE C=C[C@H](CC)CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 1141873478 YOWDYJWLPFATDT-APWZRJJASA-N 297.442 4.733 30 10 CJEE C=CCCC[C@H](C)Nc1nc(C(F)F)nc2ccccc12 1185922545 MVIDEGQDVUKIKN-NSHDSACASA-N 291.345 4.724 30 10 CJEE C=CCC[C@H](CCC)NCC[C@H]1CCC(F)(F)C1 1207752535 CHSHGXDQPUWLIH-KGLIPLIRSA-N 259.384 4.536 30 10 CJEE C=CCC1(C(=O)N2CC(C)(C)CC(C)(C)C2)CCCCC1 1296077293 YXRKEACXPWCLPJ-UHFFFAOYSA-N 291.479 4.798 30 10 CJEE C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)C=CCCC2 1311004042 HZDFKTVAJMXOIS-UHFFFAOYSA-N 298.430 4.760 30 10 CJEE C=CCC1(C(=O)Oc2cc(C)ccc2Cl)CCCC1 1354169673 MJIYVVWYYPIAPR-UHFFFAOYSA-N 278.779 4.690 30 10 CJEE C=CCCCCCN(C)C(=O)C1(CC)CCCCC1 1360895354 ZGWDFDQKMLSDPL-UHFFFAOYSA-N 265.441 4.552 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 1439929815 IRWOJMAUCAYULG-ZWKOTPCHSA-N 295.357 4.601 30 10 CJEE C=CC(C)(C)CNCc1cccc(-c2ccc(C)cc2)c1 1461511143 AXKFLHSSWAJQMI-UHFFFAOYSA-N 279.427 4.964 30 10 CJEE C=CC(C)(C)CCN[C@@H](CC)Cc1ccc(C)cc1 1462457210 FOPLHHIAJGYBMF-KRWDZBQOSA-N 259.437 4.508 30 10 CJEE C=CCCCC[C@H](C)Nc1cnc(C)c(Br)c1 1462674792 WIWFMHYVPGCDKT-NSHDSACASA-N 297.240 4.699 30 10 CJEE C=CCCCCNC(=O)Nc1ccc(SC)c(Cl)c1 1476232561 OVGFDPMUCJPCTL-UHFFFAOYSA-N 298.839 4.540 30 10 CJEE C=CCC[C@H](NC(=O)[C@H]1CCC[C@H]1CC)c1ccccc1 1534344757 UPBNEYFVPHUQTH-NJAFHUGGSA-N 285.431 4.636 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2CC)c1 1537414334 KJTQBZIQXSUELS-YOEHRIQHSA-N 271.404 4.875 30 10 CJEE C=C(C)C(C)(C)C(=O)N(CC)C[C@@H](CC)c1ccccc1 1539101320 ZLOWZZUQNAMNBL-MRXNPFEDSA-N 287.447 4.631 30 10 CJEE C=C[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 1540437423 SZZJJGCWGUIHKM-OAHLLOKOSA-N 285.774 4.557 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CCCCC1 1546120547 QWKLATBQCNKLLK-YESZJQIVSA-N 289.463 4.550 30 10 CJEE CCCCCCCCCN1C[C@@H](C)S[C@H](C)C1 1559577554 KBBCNNONYUTGPM-HUUCEWRRSA-N 257.487 4.563 30 10 CJEE C=C(CC)CNCc1cnc(-c2ccc(Cl)cc2)s1 1560503456 NJXVWVYEOUXESZ-UHFFFAOYSA-N 292.835 4.519 30 10 CJEE C=CC[C@H](C(=O)O[C@@H]1CCC[C@H](C)[C@H]1C)c1ccccc1 1584085828 HKDKRYRBFVTMLA-CIRFHOKZSA-N 286.415 4.714 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)c3ccccc32)CCCCC1 1585533751 FVDKZRBLAFYYTD-HNNXBMFYSA-N 283.415 4.663 30 10 CJEE C#CCCCC(=O)Nc1cccc(Oc2cccc(C)c2)c1 1597686331 HDGIXVCWZCXRKK-UHFFFAOYSA-N 293.366 4.529 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)O[C@H](C)CC(C)C 1621787514 QVFMHABPZQHIIT-OAHLLOKOSA-N 281.440 4.626 30 10 CJEE C#CCCCCCCSC[C@@H]1CC[C@H]2C[C@H]2C1 1644122703 KKIJRJOTLJXDEB-OWCLPIDISA-N 250.451 4.740 30 10 CJEE C#CCC1(NC[C@@H]2CCC[C@@H](CC)C2)CCCCC1 1651609548 AUBPEKOBPGBDBS-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE C=C(C)c1cccc(NC(=O)c2csc3c2CCCC3)c1 1653376402 JJTKEWNSSKXKKF-UHFFFAOYSA-N 297.423 4.912 30 10 CJEE C=CCCCCCN1CCN(CCC)c2ccc(F)cc21 1658524166 LQNXLEUKNRGKSE-UHFFFAOYSA-N 290.426 4.609 30 10 CJEE C=CCCCC[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1F 1665524786 QRBLVYCDLLCMTM-BMGDILEWSA-N 275.411 4.737 30 10 CJEE CCCCC1CCC(C(=O)O/N=C(/C)C(C)C)CC1 1860466647 DMZWHCZRWKLYBD-LGMDPLHJSA-N 267.413 4.558 30 10 CJEE C[C@@H]1CCCC/C1=N\OCc1cccc2ccccc12 1860467871 RDJIAYRMFHUZPA-IWHJNQCMSA-N 267.372 4.923 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C1CC(c2ccccc2)C1 1875795179 KIAFBCXMOIWKIP-AGERRDQYSA-N 256.389 4.576 30 10 CJEE CCCC[C@@H](CC)N=C1NC2(CCC(C)CC2)CS1 1879351683 XMIMPDGBPXLMIQ-NPCAHTBFSA-N 282.497 4.597 30 10 CJEE CCCCCCCCCCN(C)C[C@@H]1CCCCO1 1883858736 RCQFWDWNJFZGOU-KRWDZBQOSA-N 269.473 4.628 30 10 CJEE C=CC[C@H]1CCCN(C2CCC(C(C)(C)C)CC2)C1 1884646002 SPDFVZJOBNSJMU-GTPINHCMSA-N 263.469 4.879 30 10 CJEE CC#CCCCC[C@@H](CC1CC(C)(C)C1)NCCC 1885235963 JNUNGDAIRYVOIO-KRWDZBQOSA-N 263.469 4.765 30 10 CJEE C#CC[C@H](C)C[C@@]1(CNC(C)(C)C)CC[C@H](CC)C1 1887489809 PZILGFSDFPNPKT-BQFCYCMXSA-N 263.469 4.621 30 10 CJEE C=C(c1ccccc1)[C@H](NCCC)c1ncc(Cl)s1 1888701934 SDKSCWYQBRBDGP-AWEZNQCLSA-N 292.835 4.551 30 10 CJEE C=C(C)C[C@H](NC)c1ccc(Cl)c(Cl)c1C 1901096946 QQPBCUUNLJFNNO-LBPRGKRZSA-N 258.192 4.529 30 10 CJEE CCCCCCCCCCC[C@@H](N)C[C@H](C)COC 1910037483 BALMBDMZRWFKMB-DLBZAZTESA-N 271.489 4.907 30 10 CJEE CCCCCCCC[C@H](NCC)C1CC2(CCCO2)C1 1912629456 VHEKUGSNGJRARX-ADKAHSJRSA-N 281.484 4.674 30 10 CJEE CCCCCCCCCC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1917514475 UYAPPNVLYWWPBO-UHDSXZAQSA-N 262.437 4.988 30 10 CJEE CCCCCCC[C@](C)(O)C(=O)CCCCCC 1919401295 GRIIPHTWWSVLLK-INIZCTEOSA-N 256.430 4.637 30 10 CJEE CCCCCCC[C@](C)(O)c1cc(C)c(OC)cc1C 1919874346 MMLJIUJNLSSWHT-SFHVURJKSA-N 278.436 4.880 30 10 CJEE CC[C@@H](C#N)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921059998 MZCMJVSFTKFLDQ-BONVTDFDSA-N 291.803 4.652 30 10 CJEE C[C@H](C[C@@]1(C=O)CCCC12CCC2)c1ccccc1 1921606167 QKYPYQNKWWASRQ-CRAIPNDOSA-N 256.389 4.720 30 10 CJEE CC(C)[C@@H](CC#N)Nc1ccc(OCc2ccccc2)cc1 1929890743 XKKSHNJWJCHBIL-LJQANCHMSA-N 294.398 4.616 30 10 CJEE C[C@@H](CCC#N)N(Cc1ccccc1)C1CCCCC1 1932019858 XXTKKLBPLUVEMT-INIZCTEOSA-N 270.420 4.514 30 10 CJEE C[C@@H]1CC[C@H]([C@@H](C#N)c2c(F)cccc2Cl)C1 1949500317 CIPZQBXGTCYOFF-OUAUKWLOSA-N 251.732 4.522 30 10 CJEE C=C(Br)CCNc1c(Cl)cccc1Cl 1956014471 XXYANAOYCJPDLF-UHFFFAOYSA-N 295.007 4.704 30 10 CJEE CC[C@H]1CCC[C@](C#N)(CCC=CBr)C1 1961326859 UEDLFDFLMCFTDG-QWHCGFSZSA-N 270.214 4.785 30 10 CJEE Cc1cc(COc2ccc(Cl)c(Cl)c2)ccc1C#N 1968304410 GZOXBGMLTCUCOK-UHFFFAOYSA-N 292.165 4.753 30 10 CJEE N#Cc1cccc(CSc2cc(Cl)ccc2Cl)n1 1968374372 BBPDYZOSLUUVLQ-UHFFFAOYSA-N 295.194 4.552 30 10 CJEE C=CCC[C@H](C)C(=O)c1cc2cscc2s1 1975911244 NUGIORLOLWJVQI-VIFPVBQESA-N 250.388 4.748 30 10 CJEE C#CC[C@@H](CSc1ccccc1Br)C1CC1 1991275821 WOCQSVLHCOGQPM-LBPRGKRZSA-N 295.245 4.591 30 10 CJEE C=CC1(CNCc2cc(Cl)cs2)CCCCC1 2015504057 QIVRMVRBYBILPC-UHFFFAOYSA-N 269.841 4.628 30 10 CJEE C[C@H](C[C@@]1(C#N)CCCSC1)C1CCCCC1 2018475887 AQZKHBKBAJJEQS-UKRRQHHQSA-N 251.439 4.630 30 10 CJEE N#C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCCSC1 2018482582 WJTMSWPROTXQSC-CYBMUJFWSA-N 286.227 4.573 30 10 CJEE C=CCCCCCCCC[C@](C)(N)CSCC 2026313434 NIMNLYOZIWWENF-HNNXBMFYSA-N 257.487 4.764 30 10 CJEE CCCCCCCC[C@H](C[C@H]1[C@@H](C)C1(F)F)NC 2034366355 BDLKIYGJUBWREF-MCIONIFRSA-N 261.400 4.616 30 10 CJEE C=C([C@@H](NCC)c1ccc(Cl)cc1F)C(C)(C)C 2035426313 MWQWILUKXPPSMK-CQSZACIVSA-N 269.791 4.732 30 10 CJEE C=C(C)CC[C@H](N)c1ccc(SC(F)(F)F)cc1 2037112641 IGYUGEPAFFSKSI-LBPRGKRZSA-N 275.339 4.655 30 10 CJEE CCCCCCC[C@H](N)c1ncc(C(F)(F)F)s1 2038483205 FREGNMZOIAUULI-VIFPVBQESA-N 280.359 4.522 30 10 CJEE C=CCC[C@H](C)[C@@]1(CNC(C)C)CCCC1(C)C 2040518194 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C=CCC(CC=C)S[C@@]1(C(=O)O)CCC[C@@H]1CCC 2352214727 MPXVUCAJCSJPFB-BBRMVZONSA-N 282.449 4.664 30 10 CJEE CCCCCCC[C@@](C)(Sc1ccc(O)cc1)C(=O)O 2353863046 MRIXYOQFLUKXBL-MRXNPFEDSA-N 296.432 4.688 30 10 CJEE CCCCCCCCC[C@@H](N)C[C@@H]1CC[C@H](COC)C1 2356000246 CMJDLWHJBRGOOI-FGTMMUONSA-N 283.500 4.907 30 10 CJEE C=CCC(CC=C)Oc1cc(C)sc1CN[C@H](C)CC 2360213914 BEAIYQOGQMHNOJ-CYBMUJFWSA-N 293.476 4.844 30 10 CJEE C[C@](C#N)(CCc1ccccc1)Nc1ccc(Cl)cc1 37936099 ZOYUKMIPNUUMKR-QGZVFWFLSA-N 284.790 4.667 30 10 CJEE Cc1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1 39256837 RACAKTWMVWQULI-UHFFFAOYSA-N 299.373 4.673 30 10 CJEE CCCCCCCCN[C@H](C)CCc1ccco1 59055604 SAXQNPZFNAMGAV-OAHLLOKOSA-N 251.414 4.551 30 10 CJEE CCC[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@H](C(C)C)CC2)C1 79342165 ACHNPRNGZUOVSY-FCGDIQPGSA-N 290.495 4.853 30 10 CJEE CC(C)(C)[C@H]1CCC[C@@](C#N)(NCc2cccs2)CC1 86959710 CXLLMROBXJDCIJ-WMLDXEAASA-N 290.476 4.726 30 10 CJEE CC[C@@H](C)Oc1cccc(Nc2cccc(F)c2C#N)c1 93396663 BOKJCWVADMKIPT-GFCCVEGCSA-N 284.334 4.618 30 10 CJEE C=C(C)C[C@H](NCC)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 94547316 XDYNWNGFQKFFAK-MWXXRFSMSA-N 275.480 4.927 30 10 CJEE CCCC[C@@H](CC)COC[C@H](CS)c1ccccc1 94584029 SGZPYJFQWAVIOU-NVXWUHKLSA-N 280.477 4.933 30 10 CJEE CCCCCCCCO[C@H](c1cccs1)[C@@H](C)N 103454600 SPIKQAVZUZEZEY-HIFRSBDPSA-N 269.454 4.514 30 10 CJEE CC[C@H](C[C@H]1O[C@H]1C)c1cc(Cl)cc(Cl)c1 107500690 YHYBGKLHXKRIAF-IGJMFERPSA-N 259.176 4.664 30 10 CJEE CCCCCCCCC(=O)CCOc1ccccc1 109708032 BRJFXYZTTWVKLG-UHFFFAOYSA-N 262.393 4.775 30 10 CJEE Cc1cccc(CC[C@H](C)Nc2cc(C#N)ccc2C)c1 109945110 BBPGAIZCCPNZMC-INIZCTEOSA-N 278.399 4.608 30 10 CJEE CCC(C)(C)C1CCC(C#N)(NCc2ccccc2)CC1 110029107 AHLGLOALSAMDCB-UHFFFAOYSA-N 284.447 4.665 30 10 CJEE CCCCCCCCC[C@@]1(CNCC(C)C)CCOC1 110213499 FZVJAHNXGAFDAK-SFHVURJKSA-N 283.500 4.779 30 10 CJEE CSc1ccccc1Oc1ccc(Cl)cc1C#N 110981857 CROMTIDYJXZDQT-UHFFFAOYSA-N 275.760 4.726 30 10 CJEE CCCCCCCCCCCc1nc([C@@H](N)CCC)no1 115861811 JNMROYWHDFDLFC-HNNXBMFYSA-N 295.471 4.943 30 10 CJEE CCCCCCC[C@H](NCC)C(C)(C)N1CCCCC1 118146627 OKNAPUZNDYLXEF-KRWDZBQOSA-N 282.516 4.590 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(C)cc1F 122211510 XPYWAZFVGTUJIR-QGZVFWFLSA-N 280.431 4.779 30 10 CJEE CCCCCCCCCCC(=O)C1(CN)CCCCC1 123280312 VLFBWUOERYJEMI-UHFFFAOYSA-N 281.484 4.996 30 10 CJEE CCCCCCCC[C@H](NN)c1ccc(Cl)cc1F 126204060 CTBBVYQKAKVDNN-HNNXBMFYSA-N 286.822 4.734 30 10 CJEE CC(=O)c1ccc(C#N)cc1Oc1ccccc1C(C)C 131348012 JJINNICRSNBGSH-UHFFFAOYSA-N 279.339 4.677 30 10 CJEE CCCCCCCC[C@@H](CC[C@H](C)OC)NCC 140321857 RWDXMBJVGJCTTO-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCNCC(C)(C)SC 156698680 MCVDMQZAKMVUSN-UHFFFAOYSA-N 259.503 4.858 30 10 CJEE CCCCCCCCCc1nc2cccc(C(=O)O)c2o1 156825358 JNJRVFSNUXGUEI-UHFFFAOYSA-N 289.375 4.819 30 10 CJEE C=C[C@@](C)(CNC(C)C)Cc1c(Cl)cccc1Cl 158823349 GDYAOCNYYFTBGY-OAHLLOKOSA-N 286.246 4.726 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(C(C)C)cc1 158898480 CXQVCQHMTXXIGD-IBGZPJMESA-N 273.464 4.933 30 10 CJEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(C(F)(F)F)cc1 158912689 AEOVMWPKQZXZQS-INIZCTEOSA-N 299.380 4.828 30 10 CJEE CCCCCCCCN[C@@H]1Cc2ccc(Cl)cc2C1 160814056 WUORECJAWXFZOM-QGZVFWFLSA-N 279.855 4.757 30 10 CJEE C=C(C)CC[C@H]1CC(C)(C)CC[C@H]1CNC(C)C 164950374 LZBYTTXXFOLDAF-HOTGVXAUSA-N 251.458 4.783 30 10 CJEE CCCCCCCO[C@H](CCC)CNC(C)(C)C 211658811 ZLMDEKHTOLMKIQ-OAHLLOKOSA-N 257.462 4.530 30 10 CJEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](N2CC[C@@H](C)C[C@@H]2C)C1 217945355 KPSHBEFTQTZIOF-RSJGLCBASA-N 290.495 4.851 30 10 CJEE C=C(C)C[C@H]1C[C@@H](CCC)CC[C@@H]1CNC(C)C 219512421 TXCANJMSSVSDTD-BBWFWOEESA-N 251.458 4.783 30 10 CJEE Cc1ccc(Nc2c(C)cccc2C#N)c(Cl)c1 221000366 SYMQHVKUHSTFDF-UHFFFAOYSA-N 256.736 4.572 30 10 CJEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 226905036 PVJRXKVONROQKA-JTDSTZFVSA-N 290.341 4.524 30 10 CJEE C=C[C@](C)(CNC(C)C)Cc1cccc(Cl)c1Cl 228914600 ZFRQHYKAGGWUEX-HNNXBMFYSA-N 286.246 4.726 30 10 CJEE C=C[C@@H](CC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)NCC 229677468 DCFINDCHDNBBGP-NNCLKIPCSA-N 261.453 4.537 30 10 CJEE N#Cc1ccc(Nc2cc(F)cc(Cl)c2)c(Cl)c1 230017095 YNEFSOZPWQEISL-UHFFFAOYSA-N 281.117 4.748 30 10 CJEE Cc1cccc(N[C@@]2(C#N)CCC[C@@H](C(C)C)C2)c1 231003947 TYBZJLSOHCQWSA-WBVHZDCISA-N 256.393 4.516 30 10 CJEE CC[C@@H](C)[C@H](C)Nc1ccc(C#N)c2ccccc12 233867507 RDECYZMORMSZET-OLZOCXBDSA-N 252.361 4.558 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 236032005 VQKDCQGKWJPOLA-RRFJBIMHSA-N 288.822 4.982 30 10 CJEE N#CC1(c2c(Cl)cc(Cl)cc2Cl)CCC1 238536790 RPGLZHZCCLIUJV-UHFFFAOYSA-N 260.551 4.592 30 10 CJEE CCCCCCCCN1CCCC[C@H]1[C@H](C)NCCC 250804592 FHJSQTACDSECTG-ROUUACIJSA-N 282.516 4.590 30 10 CJEE C[C@H](F)c1cc(F)c(F)c(C2(C#N)CCCCC2)c1 260111298 GNHSQVXCQZRALV-JTQLQIEISA-N 267.294 4.721 30 10 CJEE C[C@@H]1CC[C@H](C#N)[C@H](SCc2ccccc2Cl)C1 300089106 RWHOAWRAQXLCCU-LALPHHSUSA-N 279.836 4.902 30 10 CJEE CCCCCCCCC[C@@H](O)[C@@H]1CCCSC1 310205241 CRAMUGRUQJRGRZ-HUUCEWRRSA-N 258.471 4.631 30 10 CJEE CC[C@H]1CC[C@@](C#N)(c2ccnc3cc(Cl)ccc23)C1 312464266 QFOSSHFMBUGEAS-YVEFUNNKSA-N 284.790 4.860 30 10 CJEE C#CCOc1ccccc1CNc1ccc(C(C)(C)C)cc1 314012546 GULXXJYPZKJACR-UHFFFAOYSA-N 293.410 4.608 30 10 CJEE C=CCCCCCCNCc1ccc2c(c1)CC(C)(C)O2 314522242 VHXQUXOUPRCGDY-UHFFFAOYSA-N 287.447 4.626 30 10 CJEE C=C(C)CCC1(CNC2CC2)CCC(C(C)C)CC1 317797552 LJVFAENCBOIEIM-UHFFFAOYSA-N 263.469 4.927 30 10 CJEE C=C[C@H](C)C1(CNCC(C)C)CCC(C)(C)CC1 318026320 LICZIMMGAVCJGD-HNNXBMFYSA-N 251.458 4.641 30 10 CJEE CCCCCCCCOc1cccc(C[C@H](C)N)c1Cl 380823484 GTXBGEIHVSIFBP-AWEZNQCLSA-N 297.870 4.969 30 10 CJEE C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 385038412 MWKQMDFFDWRSEU-JTQLQIEISA-N 272.219 4.856 30 10 CJEE Cc1cc(NCCCCCC#N)cc(C)c1Br 385350516 FCZSETFPBMNKJI-UHFFFAOYSA-N 295.224 4.562 30 10 CJEE C=CC[C@H](CC)N[C@H](C)c1cccc(C(F)(F)F)c1 393744754 KQJMXIGOEJVDHG-RISCZKNCSA-N 271.326 4.711 30 10 CJEE N#CCc1cc2ccsc2c(C(F)F)c1Cl 396194048 UFTNGKOCOFQLDU-UHFFFAOYSA-N 257.692 4.558 30 10 CJEE C[C@H]1CC/C(=C\B2OC(C)(C)C(C)(C)O2)c2ccccc21 396717843 SGMGPZDOEIMXDT-REQDGWNSSA-N 284.208 4.599 30 10 CJEE C=CC[C@@H](CNCC(C)C)C[C@@H]1CCCCC1(F)F 400491168 CQPZREOAWUMYEE-CABCVRRESA-N 273.411 4.640 30 10 CJEE C=CCC(C)(C)CO[C@@H]1C[C@H](CCC)CC[C@@H]1NCC 403819938 AAZSZHMUSVYDGG-IXDOHACOSA-N 281.484 4.552 30 10 CJEE C=C(C)C[C@H](C)C(=O)N(c1ccc(Cl)cc1)C(C)C 466418695 ZVTICXMHFYEHPC-ZDUSSCGKSA-N 279.811 4.684 30 10 CJEE CCCCN(CCCC(C)(C)C#N)Cc1ccccc1F 472250488 UNSSNSUNIHCKLB-UHFFFAOYSA-N 290.426 4.758 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](C)CC[C@@H]1CNCCC 686693441 SMKRHXNISBOAJW-KZNAEPCWSA-N 263.469 4.622 30 10 CJEE C#CCCCCC[C@@H](NCC)[C@@H]1CCCC2(CC2)C1 686704433 UYGOBNYESZBEFB-IAGOWNOFSA-N 261.453 4.519 30 10 CJEE CCCCCCC[C@@H](NN)c1cccc(C(C)C)c1 688972799 MIEHHAKCPGWBHU-QGZVFWFLSA-N 262.441 4.675 30 10 CJEE CCCCCCCCC[C@H](N)CC[C@H]1CC1(F)F 691643844 PYSUGVMJTGWCGL-KBPBESRZSA-N 261.400 4.890 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1F 692271292 HEVIEOJORAJDJA-VBQJREDUSA-N 261.384 4.611 30 10 CJEE CCCCCCCC[C@@H](O)CC1(CSC)CC1 696045215 NJTPDQZFILJMRA-CQSZACIVSA-N 258.471 4.631 30 10 CJEE CCCCCCCCCC[C@@H](O)CC[C@H](C)CCN 696195718 HNVFSBCLUGENLE-DLBZAZTESA-N 271.489 4.643 30 10 CJEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698827709 MRILBDBQYHBKHI-OAHLLOKOSA-N 294.439 4.639 30 10 CJEE CCCCCCC[C@H](NC)c1ccc(C(F)(F)F)nc1 704263059 SAAZNYWAOFNFMO-ZDUSSCGKSA-N 288.357 4.721 30 10 CJEE N#Cc1cc(Cl)ccc1NCC(C1CCC1)C1CCC1 704469541 BDGKVACVICHSTL-UHFFFAOYSA-N 288.822 4.840 30 10 CJEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(F)cc1Cl 709102380 AJDBBTGSIPBUSJ-GWCFXTLKSA-N 295.785 4.728 30 10 CJEE C=CCCSCCN[C@H](c1cccs1)C1CCCC1 710140167 LOWOLJSKLWVTOQ-INIZCTEOSA-N 295.517 4.878 30 10 CJEE C=CCCCCC[C@H](C[C@H]1C[C@@H]1C1CC1)NCCC 712938748 DTSGCUVVCRCCRX-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CC[C@@H](C)Oc1ccc(CNC(C)(C)C)cc1Cl 714969813 JYYYSSGKTPRUDN-GFCCVEGCSA-N 281.827 4.572 30 10 CJEE C=CC[C@@H](C)[C@H](NCCC)c1csc(C(C)C)n1 715706142 QFRMNMFCZGNHRJ-OCCSQVGLSA-N 266.454 4.519 30 10 CJEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1 715726854 VMPVHWXBKDWGHU-SWLSCSKDSA-N 296.252 4.620 30 10 CJEE CCCCCCCC/N=C1/N[C@H](CC)C[C@H](C)S1 716938338 XMKAILREWSTYKD-UONOGXRCSA-N 270.486 4.597 30 10 CJEE C[C@H]1CC([C@H](C#N)Sc2ccc(F)cc2)C[C@H](C)C1 719379010 ZPQFWMHIUODDPB-HSMVNMDESA-N 277.408 4.882 30 10 CJEE C[C@H](CCC(C)(C)C)/N=C1/N[C@@H](C2CCCC2)CCS1 725107748 IIHQQWBVEIAKQZ-UKRRQHHQSA-N 296.524 4.843 30 10 CJEE C=CCc1ccccc1OC(=O)c1ccc(C(F)F)cc1 726730158 ZSWFPSXAHZJAKJ-UHFFFAOYSA-N 288.293 4.572 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCCCCC1 1131105117 BQCABGAGDQPYFQ-SJORKVTESA-N 277.452 4.598 30 10 CJEE C=C(C)c1cccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1 1134837986 IDWAJXAIZDEXMY-HOTGVXAUSA-N 297.423 4.832 30 10 CJEE C=C1CN(C(=O)C[C@@H](C)CCCCCCCCC)C1 1147030298 ROFOMYOEMPXDDM-HNNXBMFYSA-N 265.441 4.552 30 10 CJEE C=CCCCCCSc1ncc(-c2ccccc2)n1C 1165274406 ALPNXHOQVULKMB-UHFFFAOYSA-N 286.444 4.926 30 10 CJEE C=C(C)CCN(CCc1ccccc1F)C1CCCC1 1167248562 VXWCIABHAUGYLC-UHFFFAOYSA-N 275.411 4.579 30 10 CJEE N#CC1(CN[C@@H]2CCCC3(CCCCC3)C2)CCCC1 1173338450 ICTNRDUSVDDMIE-MRXNPFEDSA-N 274.452 4.553 30 10 CJEE C=CCC(C)(C)CN[C@@H](C)Cc1ccc2c(c1)CCCC2 1182020673 MDZREBVAZPTOJC-INIZCTEOSA-N 285.475 4.688 30 10 CJEE C=C(C)CCN[C@H]1CCCC[C@@H](c2ccccc2)C1 1202504915 LKTWGGXUEBNSHT-MSOLQXFVSA-N 257.421 4.659 30 10 CJEE C#Cc1ccc(N[C@@H]2CCCCC23CCCC3)cc1 1207753167 SMTGFMMIULWWAY-QGZVFWFLSA-N 253.389 4.583 30 10 CJEE C=CC1CCN(C(=O)NC[C@@H](C)CCCCCCC)CC1 1224219039 CEHSZSUJRYWOIR-INIZCTEOSA-N 294.483 4.591 30 10 CJEE C=CCCC1(CNC(=O)c2ccc(CC)s2)CCCC1 1300739472 RFPOODVLFZFQPY-UHFFFAOYSA-N 291.460 4.567 30 10 CJEE C#CCCCCCC(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C 1358345256 ZKKUXSGHHUMPDY-IBGZPJMESA-N 299.458 4.782 30 10 CJEE C=CC(C)(C)CC(=O)N1CC[C@@H](c2ccc(C)cc2)C1(C)C 1438970662 ZLCKNKXXHDHAMW-KRWDZBQOSA-N 299.458 4.692 30 10 CJEE N#Cc1ccc(SCC23CCC(CC2)C3)c(Cl)c1 1459002370 VGRLZONUGFVOGL-UHFFFAOYSA-N 277.820 4.884 30 10 CJEE CCCCCCCCN1CCC[C@@H](OCCC)CC1 1473158766 PMYZTVUJNQPTBJ-QGZVFWFLSA-N 269.473 4.628 30 10 CJEE C=C(CC)CN[C@@H](CC)Cc1ccc(Cl)cc1Cl 1474579954 BQFOUSAUZPUADQ-AWEZNQCLSA-N 286.246 4.870 30 10 CJEE C=C1CCC(C(=O)Nc2ccc(SC)c(Cl)c2)CC1 1524609592 DGOYTWMKFWRFMK-UHFFFAOYSA-N 295.835 4.747 30 10 CJEE C=C(CNC(=O)/C(C)=C/C1CCC(C)CC1)c1ccccc1 1527586292 YLHUUNGPVUYNNA-DTQAZKPQSA-N 297.442 4.589 30 10 CJEE C=C[C@H](CC(=O)N[C@H]1CCC[C@H](C(C)C)C1)c1ccccc1 1528790022 WPMMMEWFZXEGHT-NEWSRXKRSA-N 299.458 4.677 30 10 CJEE C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 1528821898 JXUUOEVNEKNLGD-ZAWLATJESA-N 299.458 4.677 30 10 CJEE C=CCC1(C(=O)Nc2ccc(C)c(C(C)=O)c2)CCCCC1 1530473286 JOLIXCBPFIBWBX-UHFFFAOYSA-N 299.414 4.663 30 10 CJEE C=CC(C)(C)CC(=O)OCc1ccc([C@@H](C)CC)cc1 1536912146 HWQGOWILSOWKCU-AWEZNQCLSA-N 274.404 4.846 30 10 CJEE C=CCC1(C(=O)N2C[C@@H](C)Cc3ccccc32)CCCCC1 1537497810 UPCKLABPADUZRS-INIZCTEOSA-N 297.442 4.738 30 10 CJEE C=CCCSCCNC/C=C/c1cc(C)c(C)cc1C 1560526357 NKJVROPZSBCVER-BQYQJAHWSA-N 289.488 4.524 30 10 CJEE C=CC(C)(C)CCCNC(=O)Nc1cccc(SC)c1 1562169639 QLDFOJQUAMLOPE-UHFFFAOYSA-N 292.448 4.522 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCCCCC 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C=C(CC)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 1657024047 RUKMHJFRHVBTPE-UHFFFAOYSA-N 284.230 4.924 30 10 CJEE C=CCC(C)(C)CN[C@H](C)Cc1coc2ccccc12 1659868901 QREBPTWASNXPGV-CQSZACIVSA-N 271.404 4.556 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OCCC)cc1 1662856972 HBBNITGGVOWRJS-IEBWSBKVSA-N 287.447 4.700 30 10 CJEE C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)ccc1C 1667683106 BIRIYEPBZQLOSP-JKSUJKDBSA-N 286.419 4.560 30 10 CJEE N#Cc1ccc(-c2cccc(OC(F)(F)F)c2)cc1Cl 1848362333 WQJBJCOHDCONDO-UHFFFAOYSA-N 297.663 4.777 30 10 CJEE CCCCC[C@](O)(CC)[C@@]1(C#N)CCCC12CCC2 1879223084 RQYFQHQCJXRUNI-IAGOWNOFSA-N 263.425 4.572 30 10 CJEE CCCCCCCCN(C)[C@H]1CCc2ccccc21 1883328242 NPOBJJJNPQFKSV-SFHVURJKSA-N 259.437 4.966 30 10 CJEE CCCCCCCCCCN(C)[C@H]1CCC[C@H]1OC 1883847836 VVBVNFCOJMSBKP-DLBZAZTESA-N 269.473 4.626 30 10 CJEE C=C1C[C@@H]2CCC[C@H](C1)N2C[C@@H](CC)CC(F)(F)F 1884484026 UJMIHWKYNLCLOW-MELADBBJSA-N 275.358 4.538 30 10 CJEE CC#CCCCCNC(C1CCCC1)C1CCCC1 1885230672 YAMOMLKQCWDWNZ-UHFFFAOYSA-N 261.453 4.519 30 10 CJEE 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C=CCCCCCCC(=O)c1ccnc2ccccc12 2206895139 QWWXFHJIZFXTFG-UHFFFAOYSA-N 267.372 4.944 30 10 CJEE C=CCCCCCC[C@@H](N)C1C2CC3CC(C2)CC1C3 2206899635 YYPCUBNPQIUFGC-OIAUPDTQSA-N 275.480 4.913 30 10 CJEE C=CCCCCCCCCCN1C[C@@H]2[C@H](C(F)F)[C@@H]2C1 2207383686 COXIIGYXBWHNSI-MUJYYYPQSA-N 285.422 4.736 30 10 CJEE C=CCCCCCCCCC[C@@H](N)[C@@H](O)C1CCCC1 2207403071 GLGGZKGWOYEYAD-MSOLQXFVSA-N 281.484 4.562 30 10 CJEE C=CCCCCCCCCCN1C[C@@H](C)CC[C@H]1C=O 2207403263 NEZCBHNNWRJACP-ROUUACIJSA-N 279.468 4.593 30 10 CJEE C=CCCCCCCCCNCCN(C(C)C)C(C)C 2207403626 JNNHTQSGULHVEB-UHFFFAOYSA-N 282.516 4.612 30 10 CJEE C=CCCCCCCCC[C@@H](NCC)[C@](C)(O)CCC 2207404864 PWAYAPNXBNRJSZ-QZTJIDSGSA-N 283.500 4.822 30 10 CJEE C=CCCCCCCCC[C@]1(CN)CCC[C@@H](OC)C1 2207425070 MJFSZNMYKIFWNP-MSOLQXFVSA-N 281.484 4.827 30 10 CJEE C=CCCCCCCCCC[C@H](NCC)[C@@H]1CCCO1 2207431547 GLXVAMVQAFPETB-ROUUACIJSA-N 281.484 4.840 30 10 CJEE C=CCCCCCCCC[C@@H](NCCC)[C@H]1CCOC1 2207436194 JTMGTMORQQJFLX-ZWKOTPCHSA-N 281.484 4.698 30 10 CJEE C=CCCCCCCCCC[C@]1(O)COC[C@@H]1CCC 2207440128 WWZYOBOBDSCPBU-ROUUACIJSA-N 282.468 4.861 30 10 CJEE C=CCCCCCCCCC[C@H](O)[C@@H](OCC)C1CC1 2207441447 IQMSUFDNOLPVJV-ROUUACIJSA-N 282.468 4.859 30 10 CJEE C=CCCCCCCCCOC1(CN)CCCCCC1 2207449932 SDUOBSJUAGUNHE-UHFFFAOYSA-N 281.484 4.971 30 10 CJEE CC(C)N[C@@](C#N)(CSCC(C)(C)C(C)C)C(C)(C)C 2207555094 ISLULODVPFSYSL-KRWDZBQOSA-N 298.540 4.708 30 10 CJEE C=CCCCCCCC[C@@H](CSCC)NCC 2214613891 SBTSNDXMBJDELI-HNNXBMFYSA-N 257.487 4.634 30 10 CJEE O=C1C=C(c2cc(Cl)cc(F)c2Cl)CCCC1 2217012768 AFJCHCYATVMFAJ-UHFFFAOYSA-N 273.134 4.659 30 10 CJEE C=CCCCCCCC[C@H](O)[C@]12CCCC[C@@H]1C2 2220090695 CRUOJWXZGDLKQA-IKGGRYGDSA-N 250.426 4.844 30 10 CJEE C=CCCCCCN(C)C[C@@H](F)C1CCCCC1 2222428892 OZLICCQOWKCGRM-MRXNPFEDSA-N 255.421 4.583 30 10 CJEE N#CC1(CCCCCCCCO)CCCCCCC1 2224936232 BTRDDDMCTOLMDK-UHFFFAOYSA-N 265.441 4.964 30 10 CJEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(C)c(Cl)c1 2225437287 URVMTJSWACYGNX-INIZCTEOSA-N 277.839 4.739 30 10 CJEE C=CCCCCCCC[C@H](O)c1snnc1C(C)C 2227284074 PXPFLZUYKSWRPW-ZDUSSCGKSA-N 282.453 4.612 30 10 CJEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(OC)c1 2227579523 OHGPSOQBEQKJTO-OLZOCXBDSA-N 281.827 4.744 30 10 CJEE CCCCCCCC[C@@H](O)[C@H]1C[C@@H]2CSC[C@@H](C2)C1 2228462497 WYYIMYGVMSBWIK-LTIDMASMSA-N 284.509 4.877 30 10 CJEE C#Cc1ccc(N[C@H]2CCC[C@@H](C(C)(C)C)C2)cc1 2229851602 RTDIVFOOBXEYIP-WBVHZDCISA-N 255.405 4.685 30 10 CJEE C#CCCCCC[S@@](=N)(=O)CCCCCCC1CC1 2230887911 BTXKKHMILVIBCF-LJQANCHMSA-N 283.481 4.587 30 10 CJEE CCCCCCCCCOC[C@H]1CCC[C@@H](NC)C1 2230985575 YMGJUMUITMSIRS-DLBZAZTESA-N 269.473 4.532 30 10 CJEE CCCCCCCCCCO[C@H](C)CNCC(C)C 2231017326 YGLTYRUPBCVJRF-QGZVFWFLSA-N 271.489 4.778 30 10 CJEE N#Cc1ccnc(SCCCCCCCC2CC2)c1 2231083246 SMNDFJKRZDMRMH-UHFFFAOYSA-N 274.433 4.796 30 10 CJEE CCCCCCCCC[C@H](N)c1cnc(OCC)s1 2231284844 MUHLYNPXKDJRCL-ZDUSSCGKSA-N 284.469 4.682 30 10 CJEE FC(F)(F)[C@@H]1CCC[C@H](OCC2(CS)CCCC2)C1 2231395990 ASJNMKBBYVWXNY-NEPJUHHUSA-N 296.398 4.614 30 10 CJEE C=C[C@](C)(CN[C@@H](C)CC)C[C@@H]1C[C@@H]2CCC[C@@H]2C1 2231489522 FJLWTDYJIPYSCJ-JCECYMMASA-N 263.469 4.783 30 10 CJEE CCCC[C@@](C)(C=O)Cc1ccc(C2CCC2)cc1 2231596808 XPTMASMCDFWHAW-GOSISDBHSA-N 258.405 4.892 30 10 CJEE CCC1CCC(Oc2cccc(SC)c2C#N)CC1 2231754315 RXDMHXAEFYKNGL-UHFFFAOYSA-N 275.417 4.628 30 10 CJEE CCCCCCCC[C@]1(C)NCC2(CCCCC2)O1 2231852356 SJKMLRNDBJZDCO-MRXNPFEDSA-N 267.457 4.776 30 10 CJEE CCCCCCCC[C@]1(C)N[C@@H](c2ccsc2)CO1 2231852596 UNJBOBJWJNUWDB-HZPDHXFCSA-N 281.465 4.876 30 10 CJEE CCCCCCCC[C@](C)(O)CC[C@H]1OCC[C@@H]1C 2231899744 CMSLKZQBRBWOAT-BBWFWOEESA-N 270.457 4.693 30 10 CJEE C=CCCC[C@@H](NCC)c1ccc(OC)c(C(C)C)c1 2233162421 NSUDTQPMNXEOAH-QGZVFWFLSA-N 275.436 4.826 30 10 CJEE CCCCC#CC[C@H](NCC)[C@@H]1C[C@H]2CCC[C@H](C2)C1 2233655371 KDGRFBRWVGSCLA-MANSERQUSA-N 275.480 4.765 30 10 CJEE CO[C@@H]1C[C@@](C#N)(C[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1(C)C 2233716032 VDVUDFGLYRPIDG-QYXWGXCQSA-N 275.436 4.548 30 10 CJEE CCCN[C@@H](C#CP(C)(C)=O)C1(C)CCC(C)(C)CC1 2233800454 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290.403 4.619 30 10 CJEE C=CCC[C@H](NC(=O)CC1(C)CCCC1)c1ccccc1 1127383307 AXAFJFJWEXJSLC-KRWDZBQOSA-N 285.431 4.781 30 10 CJEE C=C1CC(C)(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 1137770983 KJMFWLFKAYXLPO-JTQLQIEISA-N 298.213 4.527 30 10 CJEE C=C1CCC(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)CC1 1156353152 QETCETAVKRTXIX-APWZRJJASA-N 297.442 4.528 30 10 CJEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)c(F)c1 1169953869 XCZUJCPDMIYPFR-UHFFFAOYSA-N 287.353 4.543 30 10 CJEE C=CCCCCN1CCC[C@@H]1/C=C\c1ccccc1 1198271513 VWMVMHQNXGQGKA-SWNWVQGVSA-N 255.405 4.521 30 10 CJEE C=C(CC)C(=O)N(C)Cc1c(CCCC)oc2ccccc12 1290283670 XKRRXXFHMROVGN-UHFFFAOYSA-N 299.414 4.700 30 10 CJEE C=CCN(CCc1ccccc1)CC[C@@H]1CCC[C@@H](C)C1 1307445174 VMXLYLLHBBKARE-QUCCMNQESA-N 285.475 4.934 30 10 CJEE C=CCCC[C@H](C)NC(=O)N1CCCC1(CCC)CCC 1312368357 ZUJFOQUIOGCCTP-INIZCTEOSA-N 294.483 4.876 30 10 CJEE C=C(C)CCC(=O)Nc1ccccc1-c1ccccc1 1349164769 FYCKDBHRNOZSCY-UHFFFAOYSA-N 265.356 4.648 30 10 CJEE C=CCCC[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 1349851601 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281.399 4.608 30 10 CJEE CC[C@@H]1CCC[C@](C#N)(Nc2ccc(C)cc2)CC1 86914045 UGMNKRYHPROCIW-WBVHZDCISA-N 256.393 4.660 30 10 CJEE CCC[C@@H](CS)COc1ccc(Cl)c(Cl)c1 87081762 LGIFQTVTYNGJPZ-SECBINFHSA-N 279.232 4.718 30 10 CJEE CC1(C)CC(=O)C=C(Cc2c(Cl)cccc2Cl)C1 87322452 AJAUXBJTKSCIJQ-UHFFFAOYSA-N 283.198 4.851 30 10 CJEE CCC1CC(C#N)(Sc2ccccc2Cl)C1 90234100 VZROXYQZHDXPFQ-UHFFFAOYSA-N 251.782 4.514 30 10 CJEE C[C@H](NCc1cc(C#N)cs1)c1ccc(C(C)(C)C)cc1 93492398 BOGYOEGALXMGKL-ZDUSSCGKSA-N 298.455 4.768 30 10 CJEE CC(C)Cc1ccc([C@@H](O)C2(C#N)CCC(C)CC2)cc1 94904993 PFSHHAZNBLOMAI-ZCDLSOSASA-N 285.431 4.639 30 10 CJEE CCCCCCC[C@@](C)(C#N)Nc1ccc(F)cc1 103067120 BXARWSAGTMDUHX-INIZCTEOSA-N 262.372 4.880 30 10 CJEE CCCCCCC[C@H](C)NCc1ccc(C)s1 103973148 ZEAUMAICGKMGNJ-ZDUSSCGKSA-N 253.455 4.895 30 10 CJEE CCCCCCCN1C[C@H](CC)Nc2cc(F)c(F)cc21 106600046 GIZPUSQCUYWKOI-ZDUSSCGKSA-N 296.405 4.946 30 10 CJEE C#CC[C@@H](CCC)c1cc(C)c(OCCC)cc1C 107653857 OSQBAHWJLLEIHY-INIZCTEOSA-N 258.405 4.999 30 10 CJEE CCCCCCC[C@H](N)Cc1ccccc1Cl 109732279 UFNQPILDINGYAB-AWEZNQCLSA-N 253.817 4.570 30 10 CJEE CCCCCCCCCCCCNC[C@H]1CCCN(C)C1 110167581 DRYAMULSKXPXOG-LJQANCHMSA-N 296.543 4.839 30 10 CJEE C[C@H]1CCC[C@H](N(C)[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)C1 110264163 JBQUVYABOSFZPQ-OBVSXPTNSA-N 290.495 4.851 30 10 CJEE C[C@H]1CCC[C@H](SCc2cc(C#N)ccc2F)C1 110354826 DBTBPERFJJNAOC-FZMZJTMJSA-N 263.381 4.509 30 10 CJEE CC(C)c1ccc(Oc2ccc(F)cc2C#N)cc1 111036954 NZIXEWLOOSQCEK-UHFFFAOYSA-N 255.292 4.613 30 10 CJEE C[C@H](CC(=O)[C@@H](C#N)c1c(F)cccc1Cl)C(C)(C)C 111650397 LFCWEWNPIAZQAS-GHMZBOCLSA-N 295.785 4.728 30 10 CJEE CCCCCCC[C@@](C)(O[C@H](C)CC(C)C)C(=O)O 114390334 XNXYBUNWWOAKCI-GDBMZVCRSA-N 272.429 4.641 30 10 CJEE CCCCCCCCN1CC2(CCCCC2)NC[C@@H]1CC 115244576 GABPHIAOTYNKKX-SFHVURJKSA-N 294.527 4.734 30 10 CJEE CCCCCCCCCn1cc2c(c1)[C@@H](O)CCC2 124407972 OOLBZOGOFLGCQL-KRWDZBQOSA-N 263.425 4.608 30 10 CJEE C[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 125676481 GEQFQKMKNCJVLH-WCQYABFASA-N 262.784 4.592 30 10 CJEE CCCCCCC[C@H](NN)c1cccc2ccccc12 126022777 IXGHEZOAOIIENG-SFHVURJKSA-N 270.420 4.705 30 10 CJEE N#Cc1cc(F)ccc1NCc1cc(Cl)cc(Cl)c1 126282580 RMAGUXQMZGPDMV-UHFFFAOYSA-N 295.144 4.616 30 10 CJEE CCCCCCCCCCCC[C@H](NN)C1CCOCC1 126682989 DORYLGHQKDASTJ-SFHVURJKSA-N 298.515 4.556 30 10 CJEE CCCCCCCCCCNCCCOCCCC 130748435 GEWWFKDZHVQBGV-UHFFFAOYSA-N 271.489 4.924 30 10 CJEE C[C@H]1CC(C)(C)CC[C@@]1(O)C1(C#N)CCCCCCC1 132205801 BHVOLMYJYOJNIS-YJBOKZPZSA-N 277.452 4.818 30 10 CJEE C=C(CNc1ccc(CCC)cc1)c1ccccc1 134358394 YZIBPTVJUHOGKQ-UHFFFAOYSA-N 251.373 4.764 30 10 CJEE CCCCCCCC=C(Br)Br 137214289 CXWWZHFLDMDZEQ-UHFFFAOYSA-N 284.035 4.978 30 10 CJEE C=CCCC[C@H]1CCCCC[C@@H]1CNCC(C)C 155867436 YFKSYUYARKHDRY-DLBZAZTESA-N 251.458 4.785 30 10 CJEE CCCCCCC[C@@H](NCC)C1(OC)CCC(C)CC1 158446993 XKNIIDLNFRVXDP-LXPRWKDFSA-N 283.500 4.920 30 10 CJEE N#CC1([C@@H](O)c2ccc(Cl)s2)CCCCCCC1 158982206 HPNQXNIKOPEZEP-ZDUSSCGKSA-N 283.824 4.689 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H]1CCCS1 160796807 UANYRLBNOMFSNI-LSDHHAIUSA-N 258.471 4.774 30 10 CJEE CCCCCCCCNc1ccc(C(N)=S)c(Cl)c1 160996210 QNOHMRXOSBPWMY-UHFFFAOYSA-N 298.883 4.747 30 10 CJEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 163724399 TWDFDUWEIMQXFQ-CQSZACIVSA-N 295.144 4.809 30 10 CJEE C=C(C)C[C@@H](NCCC)c1csc(Br)c1 164000857 HVIYMRAWRMQREM-LLVKDONJSA-N 288.254 4.518 30 10 CJEE C=CC[C@H]1C[C@H](CCC)CC[C@@H]1CNC(C)(C)C 219542487 CLHIOULQUXVOHG-OWCLPIDISA-N 251.458 4.783 30 10 CJEE CC1CCC(N(C)[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)CC1 222795498 WJBOKGRWBCUVCL-BFYMFYIXSA-N 290.495 4.851 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccsc1C 227931750 LRORMCUBYQJZES-OAHLLOKOSA-N 268.470 4.702 30 10 CJEE CCCCCCC[C@@H](Cc1ccc(F)c(Cl)c1)NC 231086354 YZIZYGDSFZIKGI-AWEZNQCLSA-N 285.834 4.970 30 10 CJEE CCCCCCCCCCCC[C@@H](O)C1(O)CCCC1 232946416 FYIWJWAQSZBYHR-QGZVFWFLSA-N 284.484 4.963 30 10 CJEE C=CCCCCC[C@@H](NCC)c1c(F)cc(F)cc1F 233606740 RQQMSLQLWJPQGZ-OAHLLOKOSA-N 285.353 4.891 30 10 CJEE C=CCCCCC[C@H](NC)c1cccc(Cl)c1 234441270 WFANHSSEQDNBDV-HNNXBMFYSA-N 251.801 4.737 30 10 CJEE CC1CCC(c2ccccc2C2(CC#N)CC2)CC1 260750758 VRFHVIJKCLDUEH-UHFFFAOYSA-N 253.389 4.926 30 10 CJEE CC1(C)CCC(c2cccc(C3(C#N)CC3)c2)CC1 260791326 YTJJLWFATZMMKW-UHFFFAOYSA-N 253.389 4.926 30 10 CJEE N#Cc1cc(Cl)ccc1NCc1ccc(C(F)F)cc1 302161086 HFCMRCXUQRXZPE-UHFFFAOYSA-N 292.716 4.761 30 10 CJEE C=CCC(C)(C)CNc1nc(C(C)(C)C)nc(Cl)c1C 312398343 KKEKYHXGKBSESR-UHFFFAOYSA-N 295.858 4.750 30 10 CJEE C[C@@H]1C[C@](C#N)(Nc2ccc(Cl)cc2)c2ccccc21 313458046 CWZOYPKZOSUJQL-SJKOYZFVSA-N 282.774 4.678 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCCC(F)(F)C1 316958280 IQNDMMXZOMHQSR-MGPQQGTHSA-N 258.352 4.597 30 10 CJEE C=C(C)CC[C@@]1(CNC(C)C)CCCc2ccccc21 317793756 XXGJUVHPTPJEQZ-LJQANCHMSA-N 271.448 4.615 30 10 CJEE CCNCC1(CC#CC(C)(C)C)CCC(C)(C)CC1 318155434 XJEWJZJTVPCRHR-UHFFFAOYSA-N 263.469 4.622 30 10 CJEE COC(C)(C)CC1(C#N)CCC(C(C)(C)C)CC1 379293707 LOIBGVXOGVWVMA-UHFFFAOYSA-N 251.414 4.548 30 10 CJEE CCN[C@H](CC#CC(C)(C)C)c1ccc(C)c(Cl)c1 394027366 NIOCEZKFDQZATJ-MRXNPFEDSA-N 277.839 4.739 30 10 CJEE N#C[C@@H](CSCc1ccccc1Cl)C1CCCC1 397348265 NZSJZJHRCLDKNW-AWEZNQCLSA-N 279.836 4.903 30 10 CJEE CCCCCCCC[C@@H](CCCOCC(F)(F)F)NC 400675514 WSDRZMHAYWANHO-AWEZNQCLSA-N 297.405 4.684 30 10 CJEE N#Cc1ccc(CSCc2ccc(Cl)cc2)cc1F 404752517 MUTGXROSCZHHCC-UHFFFAOYSA-N 291.778 4.784 30 10 CJEE C=C(C)CCSCc1ncc(-c2ccc(F)cc2)o1 556801440 RLURATSWTXNTAU-UHFFFAOYSA-N 277.364 4.680 30 10 CJEE C#CCCCCC[C@@H](CSc1cccc(C)c1)NCC 686696960 DXCAJSUQODVWQI-KRWDZBQOSA-N 289.488 4.649 30 10 CJEE CCCCCCCCCCCCN(CCN)CC1CC1 688433636 HDEPMFOLEABEGS-UHFFFAOYSA-N 282.516 4.578 30 10 CJEE CCCC1CCC(C=O)(C[C@@H](C)CC(F)F)CC1 688774205 GNSJWRHUGVIDGF-OPFPJEHXSA-N 260.368 4.843 30 10 CJEE C[C@@H]1CC(CNc2cccc(Cl)c2C#N)C[C@@H](C)C1 695265181 MXCOSJYNOLLEDM-RYUDHWBXSA-N 276.811 4.696 30 10 CJEE CCCCCCCCCC[C@H](O)[C@H](N)CC(C)(C)C 696083435 GZGJJCKJJRVBBH-CVEARBPZSA-N 271.489 4.642 30 10 CJEE CCCCCCCCCCC[C@@H](NN)c1cncs1 698532629 YNMYNCONRLDHHC-CQSZACIVSA-N 283.485 4.568 30 10 CJEE CCCCCCCCC[C@@H](NCC)[C@H](OC)C1CCC1 701420473 HKLNFTJWZQOPLK-QZTJIDSGSA-N 283.500 4.920 30 10 CJEE CCCCCCC[C@@](C)(CN)N1CCCC[C@@H](CC)C1 703210683 CQUURFFSOGWLNE-MSOLQXFVSA-N 282.516 4.576 30 10 CJEE CCSc1cccc(OC[C@H]2C[C@H]2C(C)(C)C)c1C#N 703613724 SIEAWBDYICGUPE-TZMCWYRMSA-N 289.444 4.731 30 10 CJEE CCCCCCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 703717090 KMMSXEJPVZLAEP-GJZGRUSLSA-N 275.436 4.809 30 10 CJEE CCCCCCCCCO[C@H]1CCNCC(C)(C)C1 703820051 XPVRTMGPQYZFKM-INIZCTEOSA-N 269.473 4.532 30 10 CJEE CCCCCCCC[C@@](C)(N)c1ccc(Cl)cn1 705011017 RHTLYYZPLRHCJK-OAHLLOKOSA-N 268.832 4.660 30 10 CJEE C=CCCSCCN[C@H](CC)c1ccc(CC)cc1 710169873 HXPOYYLSUAUOJU-QGZVFWFLSA-N 277.477 4.599 30 10 CJEE CC(C)C1CCC(C=O)(CC[C@H]2C[C@H]2C2CC2)CC1 714966197 ZUNJBIKVQQYTIY-YCHGYYGWSA-N 262.437 4.844 30 10 CJEE C=CC[C@H](C)[C@@H](NCCC)C1CCCCCCC1 715772676 WKYPKWFWRCKGER-DOTOQJQBSA-N 251.458 4.927 30 10 CJEE C[C@H](OCC1(CS)CCCCC1)C1CCCCC1 719744703 YMKVZGAXMDBSFT-AWEZNQCLSA-N 270.482 4.852 30 10 CJEE CCCCCCC[C@H](CCc1ccns1)NCCC 719824796 YHKJWTZPBGQVAP-OAHLLOKOSA-N 282.497 4.804 30 10 CJEE CC1(C)OB(CCCOC2CCCCCCC2)OC1(C)C 721111430 RAQIGHOXGHNOGZ-UHFFFAOYSA-N 296.260 4.598 30 10 CJEE CCCN[C@H](CC#CC(C)(C)C)C(C)(CC)CC 721703753 FSVNQUFNMYTWMJ-OAHLLOKOSA-N 251.458 4.621 30 10 CJEE N#Cc1c(OC(F)(F)F)cc2sccc2c1C(F)F 725291214 GAPXNPZYTHBLIW-UHFFFAOYSA-N 293.216 4.609 30 10 CJEE CC/C(=N\OCc1ccccc1)c1ccc2c(c1)CCC2 821224750 XGVFVPCDZWSROR-FMQUCBEESA-N 279.383 4.506 30 10 CJEE C(=Nc1cccc(-c2nc3ccccc3o2)c1)c1ccco1 1084270350 YABKGKWCSWBUHK-UHFFFAOYSA-N 288.306 4.838 30 10 CJEE C=CCCC(=O)N[C@H](c1ccc([C@@H](C)CC)cc1)C(C)C 1124570291 YKWBXENZHYDILO-KXBFYZLASA-N 287.447 4.980 30 10 CJEE C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1125643985 WWYLNPYZPMVPEJ-OWCLPIDISA-N 279.468 4.557 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 1128197026 CZYRGNWFPPAHAQ-QFBILLFUSA-N 299.458 4.605 30 10 CJEE CCCCCCCCN(C)Cc1cc(Cl)ccn1 1139562108 IAUGGVNMYYCEKV-UHFFFAOYSA-N 268.832 4.527 30 10 CJEE C=CCCCCN1CCc2ccc(C(C)C)cc2C1 1195918227 GSVXPKWPHZYMSX-UHFFFAOYSA-N 257.421 4.524 30 10 CJEE C#CCC1(C(=O)O[C@@H](C)c2ccc(C)cc2)CCCCC1 1266019225 UZFHUTDEMBDKBZ-INIZCTEOSA-N 284.399 4.573 30 10 CJEE C=CCCCCCCCCNC(=O)c1cc(C)ccc1F 1274720689 HCCXZIUDRFOGPI-UHFFFAOYSA-N 291.410 4.781 30 10 CJEE C=CCC[C@H](C(=O)OC[C@H]1CC=CC[C@H]1C)c1ccccc1 1347958725 KGZWFDGNTVKOFE-QRQLOZEOSA-N 298.426 4.882 30 10 CJEE C=CC(C)(C)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 1457499104 WMXGYTGOPWWGAY-QWHCGFSZSA-N 293.838 4.503 30 10 CJEE C=CCCCCCCCNC(=O)[C@H](C)c1cccc(F)c1 1460673529 MCKCQNPBTSNGLF-OAHLLOKOSA-N 291.410 4.572 30 10 CJEE C=CCN(CCc1ccccc1)Cc1cccc(Cl)c1C 1474383688 DQRQYQHTTWDKKP-UHFFFAOYSA-N 299.845 4.879 30 10 CJEE C=CCCc1ccccc1NC(=O)c1ccc(CF)cc1 1523897097 WMBWGPGNIPUZNJ-UHFFFAOYSA-N 283.346 4.527 30 10 CJEE C=CCOc1cccc(NC(=O)CC2(C)CCCCC2)c1 1526631660 APENRJKSQVMRRC-UHFFFAOYSA-N 287.403 4.550 30 10 CJEE C=C[C@H](CC)CC(=O)N(CCCC)[C@H](C)c1ccccc1 1532402574 CUBVQDJUSXYQSU-IAGOWNOFSA-N 287.447 4.979 30 10 CJEE C=C1CC(C)(C(=O)NCCCCCCCCCC)C1 1545471769 MKKINNATIGSLAB-UHFFFAOYSA-N 265.441 4.600 30 10 CJEE C=CCSc1nc(-c2cccs2)nc2ccccc12 1559313990 MSOJGGVNIXNPEN-UHFFFAOYSA-N 284.409 4.636 30 10 CJEE C#CCN(CCCCCCCC)Cc1ccc(F)cc1 1559513799 HBNNHNKFPJQGBM-UHFFFAOYSA-N 275.411 4.621 30 10 CJEE C=CCCCC[C@H](C)NCC[C@@H]1CCC(F)(F)C1 1561041095 IZOLZNBZBDZSEU-KBPBESRZSA-N 259.384 4.536 30 10 CJEE C=C[C@@H](CC)CC(=O)Nc1c(C)cc(C(F)(F)F)cc1C 1583982512 KRVUIWYLFKNSMB-LBPRGKRZSA-N 299.336 4.863 30 10 CJEE C=CCCC1(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)CCCC1 1586149181 DSSBVFLAJRXDQE-WMZOPIPTSA-N 291.479 4.846 30 10 CJEE C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 1597307884 URWVNWJAVIEQMU-MJKGWSOKSA-N 299.458 4.677 30 10 CJEE C=CCCCCCN1CCSC[C@H]1c1ccc(C)cc1 1615486640 ZNRPLUALZVDLQE-SFHVURJKSA-N 289.488 4.831 30 10 CJEE C#Cc1ccc(CN2C[C@H](C)CC[C@H]2c2ccccc2)cc1 1621326670 UHRSSUPXYZKAPF-UTKZUKDTSA-N 289.422 4.641 30 10 CJEE C=CCC[C@@H]1CCCN1C(=O)Nc1cccc(C2CCC2)c1 1625262832 AXMXFGUVPREJJB-GOSISDBHSA-N 298.430 4.917 30 10 CJEE C=C(CC)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 1626974453 HQOCVUDBBNKHSU-UHFFFAOYSA-N 281.355 4.692 30 10 CJEE C=CC[C@H]1CC[C@@H](NCC(C)(C)c2ccc(CC)cc2)C1 1650640671 LUWOMSBPMGQOHK-PKOBYXMFSA-N 285.475 4.861 30 10 CJEE C=CCC[C@@H]1CCCN1c1nc2cc(C)ccc2s1 1651487465 OFICSCFKBPISLM-CYBMUJFWSA-N 272.417 4.540 30 10 CJEE C=C(CC)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 1652932116 MGKCVHKPBHTURN-KRWDZBQOSA-N 295.426 4.922 30 10 CJEE CCCCCCCCCN1CCC[C@H]1c1cc(C)no1 1653164235 LYUQUDBHZPSFFH-INIZCTEOSA-N 278.440 4.871 30 10 CJEE C=CCC1(NC[C@@H]2CC3(CCCCC3)CO2)CCCCC1 1655335801 OXRRHHDHWWOWFE-KRWDZBQOSA-N 291.479 4.594 30 10 CJEE C=CC[C@@H](CC)NCc1ccc(Oc2cccnc2)c(C)c1 1657269873 JXFSLYIYZYWQGD-QGZVFWFLSA-N 296.414 4.627 30 10 CJEE C=CC(C)(C)CCNCc1cc(C)c(C)cc1OC(F)F 1658342555 ITPIDOBBWQDVTA-UHFFFAOYSA-N 297.389 4.597 30 10 CJEE C=CC(C)(C)CCCN[C@H]1CCC[C@@H](C2CCOCC2)C1 1658545549 VRPRJNRCWZSISE-MSOLQXFVSA-N 293.495 4.554 30 10 CJEE C#C[C@H]1CC[C@H](N[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 1660637668 IUHDKMACLQVNCA-BASYENTBSA-N 289.850 4.614 30 10 CJEE C#Cc1ccc(NC[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 1660810814 HHFUVWBUVGGJRP-HZPDHXFCSA-N 281.786 4.537 30 10 CJEE C=CCC1(CN[C@H](C)CCc2ccccc2)CCCC1 1664712238 HJFDQWFTGJZKOE-QGZVFWFLSA-N 271.448 4.734 30 10 CJEE C=CCCCCCCCCNC(=O)N(C)C1CC(C)(C)C1 1673294817 OKVVPSIQSYYZED-UHFFFAOYSA-N 294.483 4.733 30 10 CJEE C=CCCC[C@@H](C)NC(=O)N(CC(C)(C)C)CC(C)(C)C 1679435028 VTBIWJJGCSBNTL-OAHLLOKOSA-N 296.499 4.835 30 10 CJEE C=CCCC[C@@H](C)NC(=O)Nc1cccc2ccccc12 1772560829 IWPCVGVCZRKMKW-CQSZACIVSA-N 282.387 4.706 30 10 CJEE C=CCN(C(=O)c1ccc(Cl)s1)C1CCC(C)CC1 1860008421 PJYQUEUFWICHFF-UHFFFAOYSA-N 297.851 4.608 30 10 CJEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(CC)cc1 1874573000 PPHSICRUIGTUTN-BUHFOSPRSA-N 292.378 4.710 30 10 CJEE CCC[C@H]1CC[C@H](CN(C)C[C@@H](CS)C(C)C)CC1 1877943785 DVAPPKVMZMWCAD-ULQDDVLXSA-N 285.541 4.727 30 10 CJEE CCCC1CCC(CN(C)CC2(CS)CCC2)CC1 1877943939 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275.436 4.762 30 10 CJEE N#Cc1ccc(NC[C@@H]2CCCC23CCC3)cc1Cl 1921593169 UCCXTDOLANNZKI-ZDUSSCGKSA-N 274.795 4.594 30 10 CJEE C=C([C@@H](NCC)c1csc2c1CCCC2)[Si](C)(C)C 1922875110 PFBIMJHNJRBOFE-MRXNPFEDSA-N 293.552 4.711 30 10 CJEE CCC[C@@H]1CCC[C@H]1n1c(=S)[nH]c2c(C#N)cccc21 1925023160 UVKBREONVNLZHQ-DGCLKSJQSA-N 285.416 4.712 30 10 CJEE C=CCCCNc1ccc(Br)c(Cl)c1F 1929578689 MFQKRCNGWGKUHP-UHFFFAOYSA-N 292.579 4.620 30 10 CJEE CC(C)[C@H](C)N(CCCCCC#N)Cc1ccccc1 1931995151 RAZBUVQYDHBDIL-KRWDZBQOSA-N 272.436 4.617 30 10 CJEE CC1(C)CC[C@H]([C@@H](C#N)c2cccc(Br)c2)C1 1949505676 KOKJQVSQUZYXMQ-JSGCOSHPSA-N 292.220 4.883 30 10 CJEE C=C1C[C@@H]1CN(Cc1ccccc1)[C@H](C)c1cccs1 1954407401 AIBYVPQRTIBITO-NVXWUHKLSA-N 283.440 4.887 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)c(Cl)s1 1958094827 UTMLFGSNZKIVAT-OIBJUYFYSA-N 264.221 4.657 30 10 CJEE CCCCCCCCC(=O)c1cnn(Cc2ccccc2)c1 1959914627 ODGQFDKLOOJJAN-UHFFFAOYSA-N 298.430 4.865 30 10 CJEE C=C(C)CC[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C 1964578090 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C=C(C)CCCC[C@H](NC)c1ccccc1SC 2259193439 CYYKYZWPZFQDAJ-HNNXBMFYSA-N 263.450 4.806 30 10 CJEE C=C(C)CCCC[C@@H](Cc1cccc(Cl)c1)NC 2259236327 AMAMKYOAEPBOMV-INIZCTEOSA-N 265.828 4.607 30 10 CJEE N[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1Cl 2260990411 YIQRXTTWVCJQHW-OAHLLOKOSA-N 282.214 4.577 30 10 CJEE C=CCCCCCCCCOCC1(CS)CC(F)C1 2265642630 FSTQBJPQCLHHIN-UHFFFAOYSA-N 288.472 4.968 30 10 CJEE CCCCCCCC[C@H](N)c1c(C)cc(O)cc1C 2267786379 HKAVTMVCSZPDCH-INIZCTEOSA-N 263.425 4.759 30 10 CJEE C#CC[C@@H](Cn1ccc2cc(Cl)c(Cl)cc21)C1CC1 2268284469 RNPDRFSVFMOJJS-ZDUSSCGKSA-N 292.209 4.998 30 10 CJEE CCCC[C@@](C)(CC=CC#CC(C)(C)C)CNCC 2268738530 WFKQQZMZKSXAPR-SFHVURJKSA-N 263.469 4.788 30 10 CJEE C[C@H](NCC=CC#CC(C)(C)C)C1CCCCCC1 2268759810 WKBXGSDPPSTZCX-INIZCTEOSA-N 261.453 4.541 30 10 CJEE C=CCCCCCCCCC(=O)[C@](C)(N)CC(C)C 2270015302 OBFUWMMKPJCONJ-QGZVFWFLSA-N 267.457 4.626 30 10 CJEE CC[C@@H]1CCC[C@@](C=O)(CC2CC3(CC(F)C3)C2)C1 2272165550 GJGPIGKNBSODDC-STXJZCLZSA-N 266.400 4.690 30 10 CJEE 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C=CC[C@H](C)S[C@@H]1[C@H](NCC)C[C@@H]2CCCCC[C@H]21 2335194754 RNXIJRPFNRAZCA-SIRPWMCASA-N 281.509 4.631 30 10 CJEE C=CC[C@@H]1CCC[C@H]1NC1CCC2(CCCC2)CC1 2337111613 NQRQVQKXBHAWJC-NVXWUHKLSA-N 261.453 4.824 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(CSC)cc1 2338697009 TYXNEXYZUCQXJU-KRWDZBQOSA-N 275.461 4.579 30 10 CJEE C=CCC(CC=C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2338743664 HROHEJUUYRBNQP-MRXNPFEDSA-N 298.257 4.892 30 10 CJEE C[C@](C#N)(CC[C@@H]1CC[C@H]1C1CC1)c1ccccc1 2342554476 KKJMASJOFPJXJK-RYQLBKOJSA-N 253.389 4.684 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H]1CNc1ccc(C#N)c(Cl)c1 2343117933 GTBNIPPJLMVRFI-GXTWGEPZSA-N 276.811 4.696 30 10 CJEE C=CCC(C)(C)[C@@H](NCC)c1cccc2cnsc12 2344338699 BTYAGQMOUGYVFW-HNNXBMFYSA-N 274.433 4.549 30 10 CJEE C=CC[C@](C)(CC)[C@H](C[C@H]1C[C@@H]2CCC[C@@H]2C1)NC 2344347071 YNVRZFARVYKCAQ-JCECYMMASA-N 263.469 4.783 30 10 CJEE CC(C)O[C@@H]1CCC[C@H]1C1(C#N)CCC(C)(C)CC1 2344801765 LVIDGDIHNMVPTM-HUUCEWRRSA-N 263.425 4.690 30 10 CJEE CCCC1CCC(C#N)(C[C@@H]2CC[C@H](COC)C2)CC1 2356002171 WLLCVWVDPISLCV-UMQBVGHOSA-N 277.452 4.939 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1C[C@H]1C)OCCCN 2360090451 HALUYRLOTSUFCJ-KURKYZTESA-N 283.500 4.907 30 10 CJEE CC(C)Cc1ccc([C@@H](C)Nc2ccccc2C#N)cc1 21042317 VMIQYWPIUGSUDE-OAHLLOKOSA-N 278.399 4.930 30 10 CJEE Cc1cc(C)c([C@H](C)Nc2ccccc2C#N)cc1C 21814343 GWVOUNKJIADCGH-HNNXBMFYSA-N 264.372 4.657 30 10 CJEE C=CC(C)(C)N(Sc1ccccc1)C(=O)OC(C)(C)C 34530152 BIHRRTCOQRPLGD-UHFFFAOYSA-N 293.432 4.895 30 10 CJEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2)C1 37154337 QWNNWUWPKZGILX-VNQPRFMTSA-N 259.418 4.638 30 10 CJEE Cc1ccccc1SCCCC[C@](C)(C#N)NC(C)C 45365962 BKXAXKHCBUXDNL-QGZVFWFLSA-N 290.476 4.538 30 10 CJEE CCCc1ccccc1N[C@@H]1CCCCC[C@@H]1C#N 54827178 ZSJFOVGTWCMTCH-NVXWUHKLSA-N 256.393 4.523 30 10 CJEE N#CC[C@@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 55017910 MSYXCYVZBMTDBB-OAHLLOKOSA-N 274.726 4.546 30 10 CJEE N#C[C@H](CCOc1ccc(F)cc1)c1cccc(Cl)c1 57685937 MENNDWNRGXHGSQ-ZDUSSCGKSA-N 289.737 4.555 30 10 CJEE CCCCCCCCN[C@@H](C)Cc1cccs1 59259090 IBTKCGRVUFQELV-AWEZNQCLSA-N 253.455 4.629 30 10 CJEE Clc1ccc(-n2cccc2/C=N/C2CCCCC2)cc1 59678172 GBWKKLJPFBYODZ-CPNJWEJPSA-N 286.806 4.882 30 10 CJEE C=CCNCc1c(OCCCCC)ccc2ccccc12 66115950 VKQROUXWDHLLPW-UHFFFAOYSA-N 283.415 4.684 30 10 CJEE CCCC[C@H](CC)Nc1ccc(C#N)c(Cl)c1 69371599 SBYNYTYUISQXBN-LBPRGKRZSA-N 250.773 4.592 30 10 CJEE Cc1cc(C)c(C#N)c(Nc2ccccc2C(C)(C)C)n1 71174462 YIPNKSDLTCQIJO-UHFFFAOYSA-N 279.387 4.611 30 10 CJEE Cc1cccc(Cn2c(Cl)c(C#N)c3ccc(C)cc32)c1 71466402 HULGFXPYYMOGEX-UHFFFAOYSA-N 294.785 4.832 30 10 CJEE CCOc1ccc(C(=O)/C=C/c2ccco2)cc1C(C)C 83192668 FLDCLGWMOQHRQP-CMDGGOBGSA-N 284.355 4.698 30 10 CJEE CC[C@@H]1CCC[C@H](Nc2cccc(Cl)c2C#N)C1 85066272 MHNJTQHKZSHOTC-NEPJUHHUSA-N 262.784 4.592 30 10 CJEE CC(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2F)CC1 86949231 MMSXQISPCCZICQ-RHSMWYFYSA-N 274.383 4.736 30 10 CJEE Cc1ccc(C(C)(C)C)c(OCC2(CS)CCC2)c1 94582339 DEWVIEKDTKAXHM-UHFFFAOYSA-N 278.461 4.771 30 10 CJEE CCCCCCC[C@@](C)(CO)Nc1ccccc1C 104025952 MTPQAPVXOXVGAJ-KRWDZBQOSA-N 263.425 4.518 30 10 CJEE CCCCCCCCCCOc1ccc(C#N)cc1N 109685929 CMNRQBYTHHRUTK-UHFFFAOYSA-N 274.408 4.660 30 10 CJEE CCCCCCCCCCN(CCC)[C@@](C)(CC)CN 110107780 VRIWXEMOWZGURV-SFHVURJKSA-N 284.532 4.967 30 10 CJEE CCCCCCCCOc1ccc2c(c1)CCC[C@H]2O 110369684 FOXDQIXSKSWAII-GOSISDBHSA-N 276.420 4.796 30 10 CJEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 113317519 YIWAABOKCAAKJZ-JTQLQIEISA-N 274.726 4.524 30 10 CJEE CCCCCCCCCO[C@]1(CN)CCC[C@@H](C)C1 115588712 GDVADXQGJWSBPR-IAGOWNOFSA-N 269.473 4.661 30 10 CJEE CCCCCCCCC[C@@H](N)[C@@H](C)c1ccccn1 117686184 UVUKRVNNCZTDRG-HZPDHXFCSA-N 262.441 4.653 30 10 CJEE CCCCCCC[C@@H](NC)c1c(F)cccc1F 118713010 JVXFDDPWOLNONY-CQSZACIVSA-N 255.352 4.586 30 10 CJEE N#Cc1cc(Cl)nc(Sc2ccc3ccccc3c2)c1 122904379 SAZLHWMLULKSRY-UHFFFAOYSA-N 296.782 4.911 30 10 CJEE CCCCCCCC[C@@H](NN)c1cccc(CC)c1 124294494 FEPHVVIVMUCZDD-QGZVFWFLSA-N 262.441 4.504 30 10 CJEE CCCCCCCCCCN[C@H](C)CC(C)(C)OC 124758244 ZZDGHFVVNKTMBQ-MRXNPFEDSA-N 271.489 4.920 30 10 CJEE C=C(C)CC[C@H](NCCC)c1ccc(SC)cc1 125693959 RREZXJLGKFPOQP-INIZCTEOSA-N 263.450 4.806 30 10 CJEE CCCCCCCCCCNCc1cnccc1C 135466330 PAMDTOUNYBGCQG-UHFFFAOYSA-N 262.441 4.620 30 10 CJEE CCCCCCC[C@@H](CCc1ccco1)NCC 139550189 GEKBGRZGTZBMKA-HNNXBMFYSA-N 251.414 4.551 30 10 CJEE CCCCCCC[C@@H](NCCC)c1cc(C)nn1CC 139555173 SLYVSIGNNGVPSC-MRXNPFEDSA-N 279.472 4.613 30 10 CJEE CCCCCCCCC[C@H](N)c1ccc(F)c(OC)c1 157831373 VZFWSBCXRMRWCB-INIZCTEOSA-N 281.415 4.975 30 10 CJEE N#CC1([C@@H](O)c2cc(Cl)cs2)CCCCCCC1 159011816 CUWKWUUWNMQJQZ-ZDUSSCGKSA-N 283.824 4.689 30 10 CJEE CC#CCCC(=O)Cc1c(C)cc(C(C)(C)C)cc1C 167893202 VUHNMIDVJMEHJB-UHFFFAOYSA-N 270.416 4.516 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CC1 189883943 RPYVIAJCTPRQGZ-DLBZAZTESA-N 283.415 4.523 30 10 CJEE CC(C)[C@@H]1CCCC[C@@]1(O)C1(C#N)CCCCCCC1 214851373 CPUQMFOFGSVNSY-WMZOPIPTSA-N 277.452 4.818 30 10 CJEE CCCCCCCCC[C@H](O)[C@@H](N)CCCCCC 218551878 ZABBLCWQAAYJIU-IRXDYDNUSA-N 271.489 4.786 30 10 CJEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(C)C2CCCCCC2)C1 223593676 UKBRQMBZBCACRI-RYRKJORJSA-N 276.468 4.750 30 10 CJEE CCCCC[C@H](C)Nc1cc(Br)cc(C#N)c1 227610362 YROIWDYJDSKANP-NSHDSACASA-N 295.224 4.701 30 10 CJEE CCCCCCCCCCCCNCCCNC(C)C 228405194 AIKNCTXQDXCHEX-UHFFFAOYSA-N 284.532 4.885 30 10 CJEE CCCCCCCC(=O)Nc1cc(Cl)c(N)cc1C 229121647 LCXRIKZMJKWQRD-UHFFFAOYSA-N 282.815 4.530 30 10 CJEE CCCCCCC[C@@H](CCC[C@@H]1CCCO1)NCC 229505103 PBGZNGRWWGHXPH-DLBZAZTESA-N 269.473 4.674 30 10 CJEE Cc1cccc(N[C@]2(C#N)CCC[C@@H](CC(C)C)C2)c1 230779408 QULUHYXXNBPVQI-FUHWJXTLSA-N 270.420 4.906 30 10 CJEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(Cl)ccc2F)C1 231191024 WOOGXRVBSVQWIJ-ABAIWWIYSA-N 265.759 4.742 30 10 CJEE CC(C)CCCCCCN[C@H](CC#N)c1ccccc1 232540692 QAQHIJRKUGXHCD-GOSISDBHSA-N 272.436 4.837 30 10 CJEE C/C=C(/CC)C(=O)c1ccc(C(F)(F)F)cc1C 234113391 NJNBNJOORNYXNG-WMZJFQQLSA-N 256.267 4.553 30 10 CJEE C=CCCCCC[C@H](Cc1ccc(Cl)cc1)NC 234450270 ZKRUPFDYHREZQB-MRXNPFEDSA-N 265.828 4.607 30 10 CJEE Cc1cc(C#N)ccc1Cn1ccc2cccc(Cl)c21 235769998 VZWSMJCFSRXMLO-UHFFFAOYSA-N 280.758 4.523 30 10 CJEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N2CCC[C@@H]3CCC[C@@H]32)C1 250694757 LKDUSTZQYSXJDA-OBVSXPTNSA-N 288.479 4.605 30 10 CJEE CCCCCCCCC(=O)Nc1ccccc1C(C)=NO 252677250 YFYWXKVTPNNQRV-UHFFFAOYSA-N 290.407 4.574 30 10 CJEE C[C@@H]1CC[C@H](OCc2ccc(C#N)cc2Cl)C[C@H]1C 252928578 QXKVFOHMKYRQLO-JMSVASOKSA-N 277.795 4.553 30 10 CJEE C[C@H](Cc1c(Cl)ccc(Cl)c1Cl)[C@H]1O[C@@H]1C 253486528 XTTFIACEZACULM-NQYJQULFSA-N 279.594 4.613 30 10 CJEE CCCCOc1ccc(C=Nc2ccc(N(C)C)cc2)cc1 254741332 YSMZSIWXSNTHFB-UHFFFAOYSA-N 296.414 4.682 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)C(C)(C)C(C)(C)C 311972567 BLKCQJULXJIBRW-HNNXBMFYSA-N 265.485 4.867 30 10 CJEE CCCN[C@@H](CC#CC(C)(C)C)[C@H]1CC2CCC1CC2 313205198 OPFGEADDLYCTFL-FOIPXRHGSA-N 275.480 4.621 30 10 CJEE Cc1ccc(C#N)cc1N[C@H]1C[C@@H](C)c2ccccc21 313354073 NQFONPFSTHQYIO-ACJLOTCBSA-N 262.356 4.527 30 10 CJEE CC(C)[C@H](C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 320223397 UEGMRZOBOVURDI-GXFFZTMASA-N 255.283 4.605 30 10 CJEE C[C@@H]1CCC[C@]1(C#N)Cc1ccc(Cl)c(Cl)c1 384768221 BLAWEVTUBDOZMP-QMTHXVAHSA-N 268.187 4.866 30 10 CJEE C[C@@H]1CCCC[C@]1(C#N)Cc1c(F)cccc1Cl 384907797 XXYZFOOGZBFEFD-IAQYHMDHSA-N 265.759 4.742 30 10 CJEE C=CC[C@H](CNC(C)C)Cc1c(Cl)cccc1Cl 387139036 IODYJEBVFWDYAY-LBPRGKRZSA-N 286.246 4.726 30 10 CJEE CCCCCCCCC[C@H]1CCC[C@H](CNCC)O1 389075750 YTYCZVHDPFGHTK-DLBZAZTESA-N 269.473 4.674 30 10 CJEE CCCCCCCCCCN[C@@H](CO)CC(C)(C)C 393520074 OHJQMAQOROFCRL-MRXNPFEDSA-N 271.489 4.514 30 10 CJEE CCCCCCCCCCC(=O)C[C@H]1CC[C@H](N)C1 394230090 MFWZSSZMQWKBKC-HOTGVXAUSA-N 267.457 4.604 30 10 CJEE C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](C#N)C1CCCC1 397128781 OYOZXGKOVRQXKP-XJKSGUPXSA-N 290.838 4.663 30 10 CJEE C=C(C)CCN[C@H](C)c1c(Cl)cccc1Cl 400822404 QUIILXJVIBTADZ-SNVBAGLBSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@@H](CCC[C@H]1CCOC1)NC 400983666 XDEGAJMDAHOGCX-IRXDYDNUSA-N 269.473 4.532 30 10 CJEE C=C(C)CCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1NCCC 403460130 ZUGVDYXLYXJYLJ-GVDBMIGSSA-N 281.484 4.552 30 10 CJEE C=CCCc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 505001423 SVSPAOOOEKSQMC-WMZOPIPTSA-N 298.430 4.602 30 10 CJEE CCCCN(Cc1ccccc1F)CC(C)(C)CCC#N 508691225 WSJHADFVWWOUTN-UHFFFAOYSA-N 290.426 4.758 30 10 CJEE CCCCCCC[C@]1(CNCC(C)C)C[C@H](C)O[C@H]1C 686465194 RLDKAVLJOKRNFM-OKZBNKHCSA-N 283.500 4.776 30 10 CJEE C#CCCCCC[C@@H](NC)c1cccc(Cl)c1Cl 686689581 NLKYDTDVAURPQB-CQSZACIVSA-N 284.230 4.838 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@H]2CCCCC[C@@H]2O)C1 688338185 ODMXKBQRVCMFLR-GJZGRUSLSA-N 277.452 4.674 30 10 CJEE CCCCCCCCCOc1ccc2c(c1)[C@H](N)CC2 690779544 ZESGIHYTGPNDRQ-GOSISDBHSA-N 275.436 4.762 30 10 CJEE CCCC[C@@](CC)(CCCCC(C)(C)C#N)C(=O)O 691765868 MDKQQNYYTKLKLQ-INIZCTEOSA-N 267.413 4.768 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1 692275800 PHOLUILVIAQKOO-BDXSIMOUSA-N 261.453 4.680 30 10 CJEE CCCCCCCC[C@@H](O)c1ccc2c(c1)CCCN2 695714682 YYYCIOSNRUAONB-GOSISDBHSA-N 275.436 4.829 30 10 CJEE C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)c2cccnc12 695842097 KGBLTOWKXPOZGU-NSHDSACASA-N 287.794 4.628 30 10 CJEE C=C1C[C@H]2CC(N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C[C@@H](C1)C2 697312013 UUEDSGWUXUAIQE-VXKCNEMHSA-N 273.464 4.536 30 10 CJEE CCCCCCC/N=C1/N[C@H](C2CCCCC2)CS1 703734726 OEIAOZRPPSMTIU-HNNXBMFYSA-N 282.497 4.598 30 10 CJEE CN(CCCCCCCCCS)[C@H]1CCCC12CC2 706268967 RAZLNSXJBRYRDE-INIZCTEOSA-N 283.525 4.911 30 10 CJEE N#CCc1cccc(NC2CCC(C3CCC3)CC2)c1 710203330 NDRUPLIBMJUVDX-UHFFFAOYSA-N 268.404 4.523 30 10 CJEE C[C@H](CC1CCC1)Nc1ccc(C(F)(F)F)c(C#N)c1 710269645 RGFCNTSRKVMLRX-SNVBAGLBSA-N 282.309 4.568 30 10 CJEE C=CCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712555731 AECBVPZXBGNBJA-GFCCVEGCSA-N 277.717 4.715 30 10 CJEE C=CCCCCC[C@H](C[C@@H]1C[C@@H]1C1CC1)NCCC 712938746 DTSGCUVVCRCCRX-KZNAEPCWSA-N 263.469 4.927 30 10 CJEE N#Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]32)cc1Cl 714278438 YTPGQNBIGUFWOO-DIOULYMOSA-N 274.795 4.592 30 10 CJEE C=CC[C@@H](C)[C@@H](NCC)c1csc2ccccc12 715758367 MTHBBRWVAPCTGN-MLGOLLRUSA-N 259.418 4.764 30 10 CJEE C=CC[C@H](C)[C@@H](CCCc1ccccc1)NCCC 715796904 QTVNKVRKWQRQMF-FUHWJXTLSA-N 259.437 4.590 30 10 CJEE C[C@H](Nc1cccc(C#N)c1)c1ccc(C(F)(F)F)s1 718012328 SNYVVDBPGIRILI-VIFPVBQESA-N 296.317 4.812 30 10 CJEE N#CCc1cc2c(OC(F)(F)F)cc(Cl)cc2s1 725286756 PPBQSWHJAFBWED-UHFFFAOYSA-N 291.681 4.519 30 10 CJEE C=CCCC[C@@H](C)OC(=O)C1CCC(C(F)(F)F)CC1 769459853 UHKNIVVGIYSVEN-PNESKVBLSA-N 292.341 4.643 30 10 CJEE C=CCc1cccc(C(C)C)c1NC(=O)C=C1CCCC1 789719405 PPLOCVDTZISDQI-UHFFFAOYSA-N 283.415 4.977 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NCc1ccccc1C1CC1 821997544 VIASBAVTIYAYQY-VQIMIIECSA-N 269.432 4.789 30 10 CJEE CC(=O)c1cccc(N=Cc2c(Cl)cccc2Cl)c1 1083977008 ZLWNWYWDAYNEHF-UHFFFAOYSA-N 292.165 4.947 30 10 CJEE C=CC[C@H](C(=O)N[C@@H]1CCC[C@H](C(C)C)C1)c1ccccc1 1125928078 BASRCEABEVYNRX-OTWHNJEPSA-N 299.458 4.677 30 10 CJEE C=CCCCNC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 1128702578 KDJMYRUUDVWXCG-UHFFFAOYSA-N 297.398 4.766 30 10 CJEE 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XPGQBOCJASWQPO-DLBZAZTESA-N 281.484 4.968 30 10 CJEE CCN[C@]1(C#N)CCC[C@@H](SCCCCCC2CC2)C1 2235462690 HBEQLMVJMNCEJD-IAGOWNOFSA-N 294.508 4.504 30 10 CJEE C=CCCCCCCC[C@H](N)[C@@](O)(CC)CCCCC 2235533338 AIECIFSNPCCMNW-ZWKOTPCHSA-N 283.500 4.952 30 10 CJEE CCCCCCCCCO[C@@H]1C[C@H](NC)C12CCCC2 2239491414 AFPFGEJZHHRYBW-DLBZAZTESA-N 281.484 4.674 30 10 CJEE CCCCCCCCC1=NO[C@H]([C@@H](O)CCCCC)C1 2239494088 ZPUXGODFRRRZAM-IRXDYDNUSA-N 283.456 4.823 30 10 CJEE CCCCCCCCCCOCC1(CNC2CC2)CC1 2239505784 ZAAFPPANUCJEAL-UHFFFAOYSA-N 281.484 4.676 30 10 CJEE CCCCCCCCCO[C@@H]1CCCC2(CCC2)[C@H]1O 2239543312 IPBBVSGTIRGKMU-SJORKVTESA-N 282.468 4.837 30 10 CJEE CCCCCCC[C@@H](CNC1CCC1)C1CCOCC1 2240126904 OGRKOXRHOCOXTD-KRWDZBQOSA-N 281.484 4.532 30 10 CJEE CCCCCCCC[C@H](C)N(C)Cc1ccc(N)cc1 2240576142 YDPMLUXGDWAWKQ-INIZCTEOSA-N 276.468 4.840 30 10 CJEE CCCCCCCC[C@](C)(N)c1nc2cccnc2s1 2240609921 IHALQRZOTHVTAK-INIZCTEOSA-N 291.464 4.616 30 10 CJEE CCCCCCCC[C@](C)(O)c1cccc2c1CCO2 2240617625 HJUQLAFMZDJMED-SFHVURJKSA-N 276.420 4.580 30 10 CJEE CCCCCCCC[C@](C)(O)C(=O)CCC(F)(F)CC 2240640445 QNAVOUOVJGXSHJ-HNNXBMFYSA-N 292.410 4.883 30 10 CJEE C#CC[C@H](C)C[C@H](NCCC)c1ccc2occc2c1 2241187418 OJYHFGCFTIQUIL-YOEHRIQHSA-N 269.388 4.523 30 10 CJEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2249735142 YISZVPJGRJGNIZ-LKFCYVNXSA-N 272.219 4.904 30 10 CJEE CC1(C)CCC(OCCCCCCCS)CC1 2252618397 HPKQNILZEDEXLW-UHFFFAOYSA-N 258.471 4.852 30 10 CJEE CCCCCCCC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 2253835504 LKRVMGFZZVQXRP-NEPJUHHUSA-N 264.331 4.895 30 10 CJEE COC1(CSCC2(CS)CCCC2)CCCCC1 2254356719 PACGDBIWTSKAFK-UHFFFAOYSA-N 288.522 4.559 30 10 CJEE CC[C@@H]1CCC[C@](C=O)(CCCC[C@H]2C[C@@H]2C)C1 2254587842 RIPQYIJCCMYZGG-VVLHAWIVSA-N 250.426 4.988 30 10 CJEE C=C(C)CCCC[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C 2259236525 CYPLYFJLYAKQCA-ZACQAIPSSA-N 252.442 4.946 30 10 CJEE C=C(C)CCCC[C@@]1(C(=O)O)CCC[C@H](C)CC1 2259245684 WQIQTKRKHJXIMZ-GOEBONIOSA-N 252.398 4.794 30 10 CJEE C=C[C@H]1CCCCN1CC[C@H](C)CCCC(C)C 2259598131 MCIJISXCWZKYAP-SJORKVTESA-N 251.458 4.879 30 10 CJEE CO[C@H](CSCCCCCCCS)C1CCCC1 2263201912 DUNBJTPVBCIYKC-OAHLLOKOSA-N 290.538 4.805 30 10 CJEE N#Cc1cccc(F)c1Oc1cccc2ccsc12 2265707627 SJWABDXGXVXIBL-UHFFFAOYSA-N 269.300 4.704 30 10 CJEE CC1(C)CC=C(C(=O)[C@@H]2CC(F)(F)C23CCC3)CC1 2266139073 BVFYHIOBFLXAMX-LBPRGKRZSA-N 268.347 4.518 30 10 CJEE C=C(C)CC[C@H](NCCC)[C@H]1CC(F)(F)C12CCC2 2266152661 NLXQSGJSXHFKOK-KGLIPLIRSA-N 271.395 4.536 30 10 CJEE N#CC[C@H](Sc1cc(F)cc(F)c1)c1ccccc1 2266617634 WUXWPTYGRGQOOL-HNNXBMFYSA-N 275.323 4.712 30 10 CJEE Cc1cc(Cl)c(Cl)cc1Nc1nccc(C)c1C#N 2266779598 VWNMETITEHMZEP-UHFFFAOYSA-N 292.169 4.621 30 10 CJEE C=CC1(C[C@H](NCC)c2csc(Cl)c2OC)CCC1 2268927811 YOMYOYNKLXQNQT-LBPRGKRZSA-N 299.867 4.807 30 10 CJEE CCCCCCCCC(=O)C[C@H]1COC2(CCC2)C1 2269372039 RROXDHHGWFUBDT-OAHLLOKOSA-N 266.425 4.655 30 10 CJEE C=CCCCCCCCSc1cccc([C@H](C)N)n1 2271502624 ZOTULGPGVHIYNQ-AWEZNQCLSA-N 278.465 4.720 30 10 CJEE C=C(C)CCCCN(C)Cc1ccc(C2CC2)cc1 2271836396 GEENEISQLLJCNM-UHFFFAOYSA-N 257.421 4.742 30 10 CJEE CCCCCCC[C@@H](C)NCC1CC2(CC(F)C2)C1 2272195571 AKNBJPKYCAMIBR-UKBSLWIUSA-N 269.448 4.853 30 10 CJEE C=CC[C@@H]1CCCCN(C[C@]23CCCC[C@H]2CC3)C1 2273397675 BXDBZEZTAPUEKZ-FGTMMUONSA-N 261.453 4.635 30 10 CJEE CCN[C@@H](CC#CC1CCCC1)[C@H](CC)CC(C)C 2274143217 AFOAKEPCYWAKRH-MSOLQXFVSA-N 263.469 4.621 30 10 CJEE CCC(=CC(=O)Cc1cccc(C(C)(C)C)c1)CC 2274447394 XSOYWYWDEQIXHX-UHFFFAOYSA-N 258.405 4.842 30 10 CJEE CCCCCCC[C@@H](OCCCN)[C@@H]1CCC1(C)C 2276293217 RCRDLZHIHOTOEZ-JKSUJKDBSA-N 269.473 4.517 30 10 CJEE CCCCCCCC[C@H](OCCCN)[C@H](C)C1CC1 2276601785 NDNRPYFPJKOXKU-WBVHZDCISA-N 269.473 4.517 30 10 CJEE CCCCCCCCCC[C@@](C)(OCCN)C(C)C 2276670509 OWWAAZLBJGLJID-QGZVFWFLSA-N 271.489 4.907 30 10 CJEE CCCCCCC[C@]1(OCCN)C[C@@H](C)C[C@@H](C)C1 2276760858 FOGZQWWIWHNUJZ-BJWYYQGGSA-N 269.473 4.517 30 10 CJEE CCCCCCC[C@H](CC1CC(CC)C1)OCCN 2276926924 RLZYGTQVDIXEBV-OFLPRAFFSA-N 269.473 4.517 30 10 CJEE C=C[C@H](C)CCNCc1c(C)c(C)c(C)c(C)c1C 2277433949 UPNTXOHGCOIWPU-LBPRGKRZSA-N 259.437 4.531 30 10 CJEE CCCCCCCCC[C@@]1(C)C[C@H](NCC)CCO1 2278233329 CSEAEKUDJJSKBE-SJORKVTESA-N 269.473 4.674 30 10 CJEE C=CCCC[C@@H](N)[C@@](C)(O)CCCCCCCCC 2278237797 QVJPBFFQZRUBML-SJORKVTESA-N 269.473 4.562 30 10 CJEE CCCCCCCCC[C@](C)(O)C1(C#N)CC(C)C1 2278247470 NRBVUGSPMBWCPS-CGZBRXJRSA-N 265.441 4.818 30 10 CJEE C=C1CCC(C[S@@](=N)(=O)C[C@@H](CC)CCCC)CC1 2278346766 GMMDMAQNUTVPQK-KXBFYZLASA-N 285.497 4.996 30 10 CJEE CC(C)[C@@H](CCC(F)F)Nc1ccc(Cl)cc1C#N 2278800340 ULAXJVCSHZHOBD-GFCCVEGCSA-N 286.753 4.693 30 10 CJEE Cc1cc(N[C@H]2CCC(C)(C)C[C@@H]2C)cc(C)c1C#N 2280563909 ZGVLRHMQXZDUDS-YOEHRIQHSA-N 270.420 4.802 30 10 CJEE CC(C)(C)C#CC=CC[C@](C)(O)c1ccc(Cl)c(F)c1 2284075526 JQTNFLMOXZPPPM-KRWDZBQOSA-N 294.797 4.682 30 10 CJEE Cc1cc(NCc2ccc(C#N)cc2Cl)cc(C)c1C 2286119174 DRUUNUBCQVISPM-UHFFFAOYSA-N 284.790 4.749 30 10 CJEE C=C(C)CCCCOc1c(Cl)cccc1CNC1CC1 2287468918 AHSKEMIRRRHXDI-UHFFFAOYSA-N 293.838 4.717 30 10 CJEE C=C1C[C@H]2CC(NC[C@@]34CCCC[C@@H]3CC4)C[C@@H](C1)C2 2289042711 YZFVBSPYBBZPEX-AHBTXELCSA-N 273.464 4.681 30 10 CJEE CCCN[C@H](C#CC1CCCCC1)[C@H]1C[C@H]1C(C)(C)C 2289684681 PGCBPEMUYWCZPF-RCCFBDPRSA-N 275.480 4.621 30 10 CJEE CC(C)CNC[C@]1(CC#CC2CCCC2)CCC[C@H]1C 2289900604 FOQMQEUEOUCDFZ-IEBWSBKVSA-N 275.480 4.622 30 10 CJEE CCCCCCCC[C@]1(OCCC(=O)O)CC[C@@H](C)C1 2290628275 UOMPCDARZJBMEL-WBVHZDCISA-N 284.440 4.787 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)[C@@H]1CCCC[C@H]1C 2291783919 DXBUYUOQGPCFOG-OAGGEKHMSA-N 284.440 4.643 30 10 CJEE CCCCCCC[C@H](OCC(=O)O)c1ccc(CC)s1 2291931665 KIXVLYPUDLOOEI-AWEZNQCLSA-N 298.448 4.813 30 10 CJEE CCCCCCCC[C@@](CC)(OCCN)[C@@H]1CC1(C)C 2293406039 WCKMHQSEHQEGAK-SJLPKXTDSA-N 283.500 4.907 30 10 CJEE C=CCCCCC1(OCCN)CCC(C(C)(C)C)CC1 2293700207 PGEBIAFWHKVEDP-UHFFFAOYSA-N 281.484 4.683 30 10 CJEE C=CCCCCCC[C@H](OCCCN)[C@H]1C=CCCC1 2294015953 RPCNNFFPLMTNAA-ROUUACIJSA-N 279.468 4.603 30 10 CJEE CCCCCCC[C@H](OCCN)c1cccc(C)c1C 2294025155 YXAHQUIUJIZKBT-SFHVURJKSA-N 277.452 4.680 30 10 CJEE CCCCCCCC[C@H](C[C@@H]1C[C@H]1C1CC1)OCCN 2294113517 IVCAIXUJBIBZME-KURKYZTESA-N 281.484 4.517 30 10 CJEE C=CCC[C@H](C)[C@]1(OCCCN)CCC[C@H](C(C)C)C1 2294231123 OJNRAHZGXQACMG-BZSNNMDCSA-N 281.484 4.539 30 10 CJEE Cc1c(C)c(C)c(CC(=O)C2=CCCCC2)c(C)c1C 2294689569 QRYNVSCMUBRVCS-UHFFFAOYSA-N 270.416 4.841 30 10 CJEE CCCCCCCCC[C@](C)(O)c1cnn(CCC)c1 2295603128 JKQJODKLYZXGQH-KRWDZBQOSA-N 280.456 4.641 30 10 CJEE CCCCCCCCC[C@@](C)(O)[C@H](N)CCCC1CC1 2295677959 FKCOIAWHYCIQFI-QZTJIDSGSA-N 283.500 4.786 30 10 CJEE CCCCCCCCC[C@]1(C)[C@@H](N)CCN1[C@@H](C)CC 2295679069 MEKIXKVYBSDRTG-OKZBNKHCSA-N 282.516 4.717 30 10 CJEE CCCCCCCCC[C@H](C)N[C@@H]1CC[C@@]12CCCO2 2295681154 DUICPUCJBOXDQT-KSZLIROESA-N 281.484 4.817 30 10 CJEE CCCOc1ccc(NC(C)=CC(=O)c2ccc(C)o2)cc1 2297368798 QCELFOBZLZXBNP-UHFFFAOYSA-N 299.370 4.575 30 10 CJEE C=CCC[C@@H](C)C(=O)c1ccc(F)c(C)c1Cl 2301081281 NFRVIIBTHBUBAN-SECBINFHSA-N 254.732 4.573 30 10 CJEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C)cc(Cl)c1 2304124446 DSNOYQRJSGJXFD-GJZGRUSLSA-N 252.785 4.674 30 10 CJEE C=CCC(CC=C)S[C@H](c1cccs1)[C@@H](N)CC 2313529221 MFFPXMLHTLQHLD-ZFWWWQNUSA-N 281.490 4.781 30 10 CJEE C=CCC(CC=C)SCCC(=O)c1ccccc1 2313696287 UGPUHVKIRDZYCW-UHFFFAOYSA-N 260.402 4.513 30 10 CJEE C=CC[C@@H](C)Sc1ccc(CNC(C)C)cc1C 2313699949 WPFUIXGCKNPFKH-CQSZACIVSA-N 263.450 4.550 30 10 CJEE C=CCC(CC=C)[C@H](NC)c1ccc(C)c(Cl)c1 2316740206 ZKGOCABXESIMLK-INIZCTEOSA-N 263.812 4.677 30 10 CJEE C=CC[C@](C)(CC)[C@@H](C[C@H]1CC1(C)C)NCCC 2321095417 IRNXCHPQVKGJLE-UXLLHSPISA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)[C@H](C[C@H]1CC[C@@H](C)C1)NCCC 2321130584 KKNWHFKWHXZMOH-PMPSAXMXSA-N 251.458 4.783 30 10 CJEE C=CCC(C)(C)C(=O)C[C@]1(C)CCCCC1(F)F 2321131303 QAVTUKDUVNXITB-AWEZNQCLSA-N 258.352 4.764 30 10 CJEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccc(C)cc1Cl 2321227946 IUQXGMKQPXIYST-HZPDHXFCSA-N 266.812 4.544 30 10 CJEE C[C@@H]1CCCC[C@]1(C=O)CC[C@@H]1CCC(C)(C)C1 2321640091 RJJHYRYNHCUARW-HLLBOEOZSA-N 250.426 4.988 30 10 CJEE CC[C@@](C=O)(Cc1cc(F)c(Cl)cc1Cl)C(C)C 2325258839 RHNRNBXLLCGYIY-AWEZNQCLSA-N 291.193 4.926 30 10 CJEE CCCCCCC[C@@](C)(SCCC1CC1)C(=O)O 2326959145 MCILSBNXAVDVFF-OAHLLOKOSA-N 272.454 4.724 30 10 CJEE C=CCCCCCC[C@@H](NCC)[C@@H]1C[C@H]1C1CCC1 2333327281 TXQKOSPVJLPWDP-RCCFBDPRSA-N 263.469 4.927 30 10 CJEE C=CCC(CC=C)S[C@@H](c1ccccc1C)[C@@H](C)N 2335198343 UWGAFEWGYBDRIG-RHSMWYFYSA-N 275.461 4.637 30 10 CJEE C=CCC(CC=C)[C@H](NC)[C@H]1CCC[C@H](CC)CC1 2338743798 JBQXYZCOBVJNKI-SZMVWBNQSA-N 263.469 4.949 30 10 CJEE CC[C@H](Nc1ccc(C(F)(F)F)c(F)c1)C(F)(F)F 2338840487 NJZNAVOBMVJUKR-VIFPVBQESA-N 289.194 4.597 30 10 CJEE CCCN[C@H](C#C[C@H]1CC1(C)C)C(CC)(CC)CC 2339567185 LQXHCISKTRGEBV-JKSUJKDBSA-N 263.469 4.621 30 10 CJEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cc2sccc2s1 2339571477 GHVBNPIITGYDKW-VXGBXAGGSA-N 289.469 4.663 30 10 CJEE C[C@H]1CCC[C@@]1(C#N)Cc1cc(F)ccc1C1CC1 2341744979 QAOXSTRENOZEKE-SJCJKPOMSA-N 257.352 4.576 30 10 CJEE CC1(C)CCCC[C@]1(C=O)CC[C@@H]1CC[C@@H]1C1CC1 2342389453 XEOUAAZLRZLANO-LZLYRXPVSA-N 262.437 4.988 30 10 CJEE CC(C)(C#N)CCCCO[C@H]1CCC2(CCCC2)C1 2343593833 HRGNDGJOWZVVDR-HNNXBMFYSA-N 263.425 4.836 30 10 CJEE CSc1cc(SCc2cccc(C)c2)ccc1C#N 2353844219 DWIZDXJQDZZOHI-UHFFFAOYSA-N 285.437 4.881 30 10 CJEE CCCCCCCCC[C@@H](C[C@@H]1C[C@H]1C1CCC1)NN 2357668024 LKDCRMPNBBMESD-SQNIBIBYSA-N 280.500 4.785 30 10 CJEE C=CCC(CC=C)OC(=O)[C@@H]1C[C@H]2CCCCCC[C@H]21 2360215293 TVIULNYWNKYGOK-DJIMGWMZSA-N 276.420 4.657 30 10 CJEE C=CCSc1ccccc1N[C@H](C)CCc1ccco1 37766903 PCGCVVDJDULNSP-CQSZACIVSA-N 287.428 4.991 30 10 CJEE N#C[C@@H](Cc1cccc(F)c1)c1c(Cl)cccc1Cl 57750121 PUDKTUYGWRSJBR-LLVKDONJSA-N 294.156 4.982 30 10 CJEE CCCCCCC[C@H](C)N[C@H](C)CCCN(CC)CC 59089836 CRLXZJQOGNDXDQ-ZWKOTPCHSA-N 284.532 4.836 30 10 CJEE CCCCCCC[C@H](CN)N(CCCC)CCCC 59090945 DPRSZQIRTPQGDD-QGZVFWFLSA-N 270.505 4.576 30 10 CJEE C=CCCC[C@@H](NCC)c1cc(Br)cs1 70599401 BHRFWTDJUXGPFW-LLVKDONJSA-N 288.254 4.518 30 10 CJEE COc1cc(C)c(Cl)c(C)c1-c1cc(CC#N)c(C)o1 77074920 WQGHMBBNFNCIEN-UHFFFAOYSA-N 289.762 4.600 30 10 CJEE Cc1ccc(-c2cc(C#N)c(C(C)C)o2)cc1Cl 77079110 XQIHRQVJBDQZOA-UHFFFAOYSA-N 259.736 4.904 30 10 CJEE Cc1ccccc1[C@@H](C#N)C(=O)C1CCCCCCC1 86580057 MFPAPJZPWYFBPX-QGZVFWFLSA-N 269.388 4.532 30 10 CJEE CCC[C@@H](CS)CSc1ccc(C)c(C)c1 87096143 ALHUHRBLRCBCLF-ZDUSSCGKSA-N 254.464 4.742 30 10 CJEE Cc1cccc(Cl)c1N[C@H]1CCCCC[C@@H]1C#N 90531443 LXZJHBVXGKWCTG-OCCSQVGLSA-N 262.784 4.533 30 10 CJEE CCCC1CCC(C#N)([C@@]2(O)CCCCC2(C)C)CC1 94285082 JLTOFSQCTQAORE-VMWRSERWSA-N 277.452 4.818 30 10 CJEE CCC#C[C@@H](C)Cc1ccc(OCc2ccccc2)cc1 107579186 BMYKEFFRDRITTK-QGZVFWFLSA-N 278.395 4.858 30 10 CJEE C[C@@H]1O[C@@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1 107579432 GUUZFAXUNKZQBE-ZRGWGRIASA-N 282.383 4.547 30 10 CJEE CCCCCCCCCCCC(=O)NCc1ccco1 108448566 YAGTXXKLECEFJS-UHFFFAOYSA-N 279.424 4.817 30 10 CJEE CCCCCCCCCC[C@H](N)Cc1csc(C)n1 109743047 RFTBDNFUXZSZKT-HNNXBMFYSA-N 282.497 4.852 30 10 CJEE CCCCCCCOc1c(C(=O)O)ccc2ccccc12 109970828 GHJLDXBLZNKAFN-UHFFFAOYSA-N 286.371 4.887 30 10 CJEE CCCCCCCCO[C@@H](CC)[C@H](CCC)NC 110083901 RSNKYLGEGWMUHR-HOTGVXAUSA-N 257.462 4.530 30 10 CJEE CCCCCCCCCCCC[C@@]1(N)CCCOC1 112326591 OSAGXNWVOJQSNL-QGZVFWFLSA-N 269.473 4.805 30 10 CJEE CCCCCCCC[C@@H](Cc1ccccn1)NCCC 112891719 SVSVPMRLTRXXBS-KRWDZBQOSA-N 276.468 4.743 30 10 CJEE CCCCCCCC[C@H](N)Cc1ccc2ccccc2n1 115858647 YITWOGNYOZIDBW-KRWDZBQOSA-N 284.447 4.855 30 10 CJEE CCCCCCCC[C@H](Cc1ccc(C)cn1)NCC 117690724 RPCDXIGIHLBWAV-QGZVFWFLSA-N 276.468 4.661 30 10 CJEE CCCCCCCCCC[C@@H](O)[C@](C)(CC)N(C)C 118151325 XBFKMSOGIRJWRU-SJORKVTESA-N 271.489 4.608 30 10 CJEE CCCCCCCC[C@H](NN)c1c(F)cccc1Cl 122350113 PGLUVMFYPSGDEL-AWEZNQCLSA-N 286.822 4.734 30 10 CJEE Cc1cccc([C@@H](C#N)C(=O)c2cc3sccc3s2)c1 123597519 PDWKWJRHXQFDKF-GFCCVEGCSA-N 297.404 4.761 30 10 CJEE CCCCCCCCCC[C@]1(O)CS[C@H](C)C1 124540241 JDIZKTXBQTXGMF-HUUCEWRRSA-N 258.471 4.774 30 10 CJEE CCCCCCC[C@@H](NCCC)[C@H]1CSCCS1 125187419 KJVJZHRLYSYIOG-HUUCEWRRSA-N 289.554 4.564 30 10 CJEE CCCCCCC[C@H](C)Nc1cc(OC)ccc1F 125294088 AHKZYBYVOOBJPH-ZDUSSCGKSA-N 267.388 4.995 30 10 CJEE C=C(C)CC[C@@H](NCC)c1cc2sccc2s1 125739693 KLAXSPIXPZVCLN-LLVKDONJSA-N 265.447 4.970 30 10 CJEE CCCCCCC[C@@H](NN)C1(c2ccccc2)CCCC1 126185381 KKAIAXPJUIWRTN-GOSISDBHSA-N 288.479 4.691 30 10 CJEE CCCCCCCCCCOC1CCC(=NO)CC1 129708911 HPRJLDLNAQRNFZ-UHFFFAOYSA-N 269.429 4.917 30 10 CJEE CCCCCCCCC[C@@H](NN)c1ccc(OC)c(C)c1 130255081 LVHCPVYZHIKEMX-QGZVFWFLSA-N 292.467 4.649 30 10 CJEE CCSc1cccc(NCc2ccc(C)cc2)c1C#N 130535788 HYANWANSGDVLKO-UHFFFAOYSA-N 282.412 4.591 30 10 CJEE CCCCCCCCC1(C(=O)OC)CCCCC1 136648638 TXPKRHQEGPYMAV-UHFFFAOYSA-N 254.414 4.861 30 10 CJEE CCCCCCCCC[C@H](NCCC)c1ccnnc1 139468459 XQCORBXFVYZGLQ-KRWDZBQOSA-N 277.456 4.658 30 10 CJEE C=C(CC)C[C@@H]1C[C@H](C)CC[C@@H]1CNC(C)(C)C 155994910 PMVHUFYPLCXNPN-BZUAXINKSA-N 251.458 4.783 30 10 CJEE C=C(C)CC[C@H](NC)c1cccc(Cl)c1Cl 156923786 WWWBTDWUYJKURD-LBPRGKRZSA-N 258.192 4.610 30 10 CJEE CCCCCCCC[C@H](N)C1(OC)CCCCCC1 166885909 XOOAVTXDGZSURI-INIZCTEOSA-N 269.473 4.804 30 10 CJEE CCCCCCCc1nnc(Nc2ccccc2)s1 204898001 QOTMDLWAJQSNDL-UHFFFAOYSA-N 275.421 4.795 30 10 CJEE C[C@@](C#N)(Cc1cccc2ccccc12)N1CCCCCC1 212308998 JVMVWWIMGUQKBU-FQEVSTJZSA-N 292.426 4.541 30 10 CJEE CC(C)c1ccc([C@H](C#N)N[C@H]2CCCC[C@H]2C)cc1 219576924 DFOTYEQLRUMDSR-JLSDUUJJSA-N 270.420 4.543 30 10 CJEE CCCCCCCCC(=O)[C@@H](OCC)C(C)(C)C 227428253 SOJXFXLXSDBLSK-OAHLLOKOSA-N 256.430 4.757 30 10 CJEE CCCCCCCCCOc1cnn(C(C)C)c1 228145960 IXGXMRRJIASKBP-UHFFFAOYSA-N 252.402 4.593 30 10 CJEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2coc3ccccc23)C1 228302081 KQZCXRAYWBDPMA-BVGQSLNGSA-N 283.371 4.576 30 10 CJEE Cc1cccc(N[C@@H]2CCC[C@H](CC(C)C)C2)c1C#N 232619080 QQXUPNVGXURYQI-HZPDHXFCSA-N 270.420 4.884 30 10 CJEE CCc1ccc([C@H](C)NCCCCC(C)(C)C#N)cc1 234151856 VENUEWLVQCJAGI-HNNXBMFYSA-N 272.436 4.620 30 10 CJEE CCCCCCCCCN1C[C@@H](CCC)NC[C@H]1CCC 250830800 QZCPFYYQVXWTAD-RTBURBONSA-N 296.543 4.980 30 10 CJEE CCCCCCCCCCCCNC(C)(C)C=NO 254449757 RWWIBESAKUNJES-UHFFFAOYSA-N 270.461 4.736 30 10 CJEE C=CCCCCCCN[C@H]1CCCC[C@H]1C(C)C 310910354 HBHDYKMYVBTAQC-IRXDYDNUSA-N 251.458 4.927 30 10 CJEE C=C(C)CC[C@@]1(CNCCC)CCC[C@@H](CC)C1 318421636 KPOGPVRCHXTLQP-SJORKVTESA-N 251.458 4.929 30 10 CJEE SCCCCCCCCCN1CCC2(CCC2)C1 380387270 ZYSVCEMJOVCXJW-UHFFFAOYSA-N 269.498 4.523 30 10 CJEE N#CC1(C[C@@H]2C[C@H]3CCCC[C@@H]3O2)CCCCCC1 381061429 RWFJMTUSVDKOIE-PMPSAXMXSA-N 261.409 4.588 30 10 CJEE C=CCCCCCC(=O)c1cc(F)ccc1Cl 383824975 HYICJPGHNRDLQL-UHFFFAOYSA-N 254.732 4.798 30 10 CJEE C=C(COCCC)[C@@H](NCCC)[C@H]1CC[C@H](CC)CC1 387464203 QPYFQRIGHOMOSK-KZNAEPCWSA-N 281.484 4.554 30 10 CJEE CC[C@@H]1CC[C@](C#N)(CCCCC2CCOCC2)C1 388915417 OBUVJTJABODCQU-NVXWUHKLSA-N 263.425 4.693 30 10 CJEE CC(C)CC(C)(C)C/N=C1/N[C@]2(CCC[C@@H](C)C2)CS1 391221805 LISMXHUOHRBRMT-PBHICJAKSA-N 296.524 4.700 30 10 CJEE CCCCCCC[C@@H](O)c1c(F)c(F)cc(F)c1F 395753985 HGJTYOHKCZKUBN-LLVKDONJSA-N 278.289 4.637 30 10 CJEE CCCCCCCCC[C@H](NN)[C@H](CC)CC(F)(F)F 402594910 AWRANQVBWRFSRA-KGLIPLIRSA-N 296.421 4.938 30 10 CJEE C=CCCC[C@@H](NCCC)[C@@H](CC)CC(F)(F)F 402611382 GRTSRWBALISTDC-QWHCGFSZSA-N 265.363 4.690 30 10 CJEE Cc1cccnc1CCC1(C#N)CCC(C(C)C)CC1 404984999 SGESYGHSOJAEDA-UHFFFAOYSA-N 270.420 4.679 30 10 CJEE C=CCC[C@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 436301694 NCSKISMLQMHQOX-NOLJZWGESA-N 263.812 4.530 30 10 CJEE CC(C)C[C@@H]1CCC[C@@H](NCC2CCC(C#N)CC2)C1 441336745 SXVPQSCOJOHCFK-ZGUYJTEBSA-N 276.468 4.511 30 10 CJEE N#CCc1ccc(-c2cc(Cl)cc(Cl)c2)c(Cl)n1 514263229 RJNZZZLGBYPXAW-UHFFFAOYSA-N 297.572 4.775 30 10 CJEE C#CCCCCC[C@@H]1C[C@H](c2ccccc2)CCC1=O 686690778 ITKIBLFQBONRHP-QZTJIDSGSA-N 268.400 4.723 30 10 CJEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)C2CCCCC2)C1 688337788 MAYFCUMNNMNWQN-HNNXBMFYSA-N 277.452 4.674 30 10 CJEE C=CCC1(NCc2cccc(C3CC3)c2)CCCC1 690772548 ZRBROISIHFESHQ-UHFFFAOYSA-N 255.405 4.543 30 10 CJEE CN(c1ccc(Cl)cc1C#N)[C@H]1CCCC[C@H]1C1CC1 695874942 YBQMHHCWWOMQMJ-RDJZCZTQSA-N 288.822 4.617 30 10 CJEE C=CCCC[C@@H](C)NCc1csc(C(F)(F)F)c1 703337443 RTGVEWJCRMJSAA-SNVBAGLBSA-N 277.355 4.601 30 10 CJEE CCCCCCCNc1cc(Cl)c(Cl)cc1N 703779857 KKKQEFAXLIEYPY-UHFFFAOYSA-N 275.223 4.958 30 10 CJEE CCCCCCC[C@H](C)NC[C@@H](CCC)OCC 705384852 PUNLIYGYNMHPEU-JKSUJKDBSA-N 257.462 4.530 30 10 CJEE Cc1cc(C#N)ccc1Nc1cc(C)c(Cl)c(C)c1 709693236 KXDICKVLFIPYCP-UHFFFAOYSA-N 270.763 4.881 30 10 CJEE C=CCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 712539868 HZIQHUAZCZZUMU-UHFFFAOYSA-N 276.685 4.898 30 10 CJEE CCCCC[C@H](C)/N=C1/NC2(CCCCCC2)CS1 713179365 DDSHNWAGMWCIJN-AWEZNQCLSA-N 282.497 4.741 30 10 CJEE C=CC[C@@H](C)C1(CNC(C)(C)C)CCCCCC1 715712881 ARVOVMZNJGOTES-OAHLLOKOSA-N 251.458 4.927 30 10 CJEE CCCCCCC[C@@H](N)CCCOCc1ccccc1 719182341 JQQVEXWOLSYWOG-GOSISDBHSA-N 277.452 4.671 30 10 CJEE C#Cc1ccc(Br)c(-c2cc(C)cc(C)c2)c1 725387041 NPEJLBBRZSYWPN-UHFFFAOYSA-N 285.184 4.714 30 10 CJEE Fc1ccc(Cl)cc1C#Cc1ccccc1C(F)(F)F 725411402 OWQJLRFQUVFQLY-UHFFFAOYSA-N 298.666 4.898 30 10 CJEE CC(=NNc1ccc(C)cn1)c1cc(Cl)ccc1Cl 727260172 ROCGBORVYUCMGZ-UHFFFAOYSA-N 294.185 4.533 30 10 CJEE CCCCc1ccc(C(=O)/C=C\c2cccnc2C)cc1 728785342 AXAAJBHWPIQHFO-SEYXRHQNSA-N 279.383 4.629 30 10 CJEE CCCCCCCCCC[C@H](NN)[C@]12CCCC[C@@H]1C2 822079912 DZCKYXPPOHUGKU-SQNIBIBYSA-N 280.500 4.929 30 10 CJEE C=CC[C@@H]1N(C(=O)C2CCC(C)(C)CC2)CCCC1(C)C 1128470325 VTHRQHDUTFRMDK-INIZCTEOSA-N 291.479 4.796 30 10 CJEE C=CC1CCN(CCCc2cccc3ccccc23)CC1 1167402500 XHZDJHHIHBKHOJ-UHFFFAOYSA-N 279.427 4.670 30 10 CJEE C=CCCCCSc1nnc(-c2ccccc2)s1 1188751733 NJADHERDFYZDRX-UHFFFAOYSA-N 276.430 4.654 30 10 CJEE C=CCN(Cc1ccccc1F)[C@@H]1CCc2ccc(F)cc21 1190484877 DTZRMXBRCILQCV-LJQANCHMSA-N 299.364 4.640 30 10 CJEE Cc1cc2cc(CNc3cccc(C#N)c3C)oc2cc1C 1202617907 CVSYLGYGNCLRPZ-UHFFFAOYSA-N 290.366 4.842 30 10 CJEE N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl 1240400639 LVRQFJGMRQREDA-UHFFFAOYSA-N 281.664 4.897 30 10 CJEE C=CC[C@@H]1N(C(=O)CCCCCC)CCCC1(C)C 1270793566 RIOUOOCBXSNOHM-HNNXBMFYSA-N 265.441 4.550 30 10 CJEE C=C(C)c1cccc(NC(=O)C2(Cc3ccccc3)CC2)c1 1289567300 UUIFQPZVWBIOKR-UHFFFAOYSA-N 291.394 4.681 30 10 CJEE C=CCCCN1CCc2cc(-c3cccc(F)c3)ccc21 1307561108 CUMBXFPIGSNYHF-UHFFFAOYSA-N 281.374 4.821 30 10 CJEE C=C(CC)CN[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1308819236 ZIDZHXPAYYARMS-WBVHZDCISA-N 277.839 4.922 30 10 CJEE C=CC[C@@H](C(=O)Oc1cccc(C)c1C)c1ccccc1 1351729280 RENYTBIAKPVYOH-QGZVFWFLSA-N 280.367 4.569 30 10 CJEE C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)C(C)(C)C 1353118100 QGSRYVKOGKZQSB-CVEARBPZSA-N 287.447 4.520 30 10 CJEE C=CCC(C)(C)C(=O)Nc1cc(Cl)c(C)cc1Cl 1357327274 AEMRRGLWHWCVCF-UHFFFAOYSA-N 286.202 4.843 30 10 CJEE C=CC1(CC(=O)N2C[C@H](C)Cc3ccccc32)CCCCC1 1359897171 PHQDWYPAFNIRPH-MRXNPFEDSA-N 297.442 4.738 30 10 CJEE C=C(CC(C)C)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 1444749940 KRVHPAJHSGENHL-RTBURBONSA-N 299.458 4.692 30 10 CJEE C=C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1CCC)c1ccccc1 1457161479 KHKHXROTIHCLIH-YQVWRLOYSA-N 299.458 4.774 30 10 CJEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CCCC(C)C 1467631148 RTRWGIBPLSMAOC-GVDBMIGSSA-N 294.483 4.635 30 10 CJEE C=CCCC(C)(C)CNC(=O)N1CCCC[C@@H]1[C@@H](C)CC 1471015961 HTFHEGMBJZYBKV-JKSUJKDBSA-N 294.483 4.589 30 10 CJEE C#Cc1ccc(NC[C@@H](C)c2ccccc2)c(Cl)c1 1474731636 NMTFNBQGQGAAPO-CYBMUJFWSA-N 269.775 4.537 30 10 CJEE C=C(C)C(C)(C)C(=O)NCc1ccc(C(C)(C)CC)cc1 1519647325 ULHCKRYDSINYIL-UHFFFAOYSA-N 287.447 4.593 30 10 CJEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CCCC)cc1 1532324550 GNKFGYCASVMDFU-MJGOQNOKSA-N 299.458 4.894 30 10 CJEE C=CCCC(C)(C)CNC(=O)C=C1CCC(C)(C)CC1 1543937588 DRIYLOOLRXHFIE-UHFFFAOYSA-N 277.452 4.622 30 10 CJEE C/C(=C/Cl)CSCCCCC1(C#N)CCC1 1559403641 WZJPWFAECANHKW-XFXZXTDPSA-N 257.830 4.726 30 10 CJEE C=C(C)CCNCc1ccc(Sc2ccccc2)cc1 1560479946 JDLAVEAFVQFCBM-UHFFFAOYSA-N 283.440 4.894 30 10 CJEE C=C(CC(C)C)C(=O)N(C)c1ccc(-c2ccccc2)cc1 1566158947 OFXNSNRPJGETIN-UHFFFAOYSA-N 293.410 4.919 30 10 CJEE C=CCCC[C@@H](C)NCc1csc(-c2cccs2)n1 1620875759 QXXNYIRJTDANOP-GFCCVEGCSA-N 292.473 4.706 30 10 CJEE C=CCCCCNCc1csc(-c2ccc(C)cc2)n1 1620910781 GUPNEQUDVOUAPC-UHFFFAOYSA-N 286.444 4.564 30 10 CJEE C=CCN(CC1CCCCC1)C(=O)Nc1ccsc1C 1626880506 CNEDHYCDLSZZEH-UHFFFAOYSA-N 292.448 4.657 30 10 CJEE C=CCCCCCN(Cc1ccc(N(C)C)cc1)C(C)C 1641554565 OFJSGXFJOZEZIJ-UHFFFAOYSA-N 288.479 4.709 30 10 CJEE CCCCCCCCCN1CCC(F)(F)[C@H](C)C1 1643297147 XKWIBGYNCHZWDT-CQSZACIVSA-N 261.400 4.714 30 10 CJEE C=C(CC)CNC1(c2ccc(C(F)(F)F)cc2)CCC1 1643914850 FPDMYVOTILJBMJ-UHFFFAOYSA-N 283.337 4.640 30 10 CJEE C=CCC[C@H](Nc1cccc(F)c1C#N)c1ccccc1 1651664719 OLWJWHWQGOCQLG-KRWDZBQOSA-N 280.346 4.817 30 10 CJEE C#CCCCCCCN[C@@H](C)c1cc2ccccc2o1 1653304678 YOMSLDPEIJYARB-HNNXBMFYSA-N 269.388 4.667 30 10 CJEE C=CC[C@H]1CCN(Cc2nc(C3CCCCC3)cs2)C1 1654348804 VTYSJEWREFBZPK-AWEZNQCLSA-N 290.476 4.589 30 10 CJEE C=C(C)c1cccc(NC[C@H](OC)C2CCCCC2)c1 1660164235 IEMIEPXHJWAHGR-SFHVURJKSA-N 273.420 4.727 30 10 CJEE C=C[C@@H](C)NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 1661904760 CEXVHSMEUMIJSM-CQSZACIVSA-N 283.415 4.908 30 10 CJEE C=CCC[C@H](NC[C@H]1CC=CCC1)c1ccccc1 1661986156 UCBJCTFZWFZNNR-WMZOPIPTSA-N 255.405 4.640 30 10 CJEE C#CCCCCCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 1664075038 JGZOSSZAOYMYBY-QFBILLFUSA-N 299.458 4.951 30 10 CJEE C=CCCCNC(=O)N[C@@H](CC)c1cccc2ccccc12 1682054436 HMQCIMKHLINEJP-SFHVURJKSA-N 296.414 4.556 30 10 CJEE CC[C@@H]1CC[C@@](C#N)(C2CC(c3ccccc3)C2)C1 1875851935 GEMYJIXSYQAGPO-AGERRDQYSA-N 253.389 4.900 30 10 CJEE CCCC1CCC(C[C@@]2(C=O)CCC(F)(F)C2)CC1 1878240971 YADVFVMLQYWMGV-NRXISQOPSA-N 272.379 4.988 30 10 CJEE CCCCCCCC[C@@]1(F)CCN[C@@H](C2CCC2)C1 1879791516 BTHHWTPJVDHACY-IAGOWNOFSA-N 269.448 4.997 30 10 CJEE CC#CCCCC[C@H](NCC)c1ccc(Cl)c(C)c1 1885266302 YFKODSARWNDACX-KRWDZBQOSA-N 277.839 4.883 30 10 CJEE CC1(CSC[C@@](C)(CS)C(C)(C)C)CCC1 1904956664 BUSHEMHJHULDOD-CQSZACIVSA-N 260.512 4.892 30 10 CJEE C[C@H]1CCC[C@H](N=C2NC3(CCCCC3)CCS2)CC1 1912120238 AVTSIVSSBKVSKL-GJZGRUSLSA-N 294.508 4.741 30 10 CJEE Cc1c(Cl)cccc1C[C@]1(C#N)C[C@H]2CC[C@H]1C2 1913192320 NNUSXNGUJKCUGG-NOLJZWGESA-N 259.780 4.521 30 10 CJEE CCCCCCCC[C@H](N)[C@@](O)(c1cccs1)C(C)C 1920351855 VNCCPJVUBLAAIR-DOTOQJQBSA-N 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